diff --git a/databases/README.md b/databases/README.md index 55d2900..7d09dc1 100644 --- a/databases/README.md +++ b/databases/README.md @@ -3,11 +3,19 @@ ### Here are brief descriptions of the databases: - **cn_database_v1.0.csv**: cetane number database containing 482 molecules from 11 compound groups, each with an experimental cetane number and 5305 QSPR descriptors calculated using alvaDesc + - **cn_database_v1.1.csv**: cetane number database containing 482 molecules from 11 compound groups, each with an experimental cetane number and 1875 QSPR descriptors calculated using PaDEL-Descriptor - **cp_database_v1.0.csv**: cloud point database containing 43 molecules, each with an experimental cloud point value and 5305 QSPR descriptors calculated using alvaDesc + - **cp_database_v1.1.csv**: cloud point database containing 43 molecules, each with an experimental cloud point value and 1875 QSPR descriptors calculated using PaDEL-Descriptor - **kv_database_v1.0.csv**: kinematic viscosity database containing 216 molecules, each with an experimental kinematic viscosity value and 5305 QSPR descriptors calculated using alvaDesc + - **kv_database_v1.1.csv**: kinematic viscosity database containing 216 molecules, each with an experimental kinematic viscosity value and 1875 QSPR descriptors calculated using PaDEL-Descriptor - **mon_database_v1.0.csv**: motor octane number database containing 308 molecules, each with an experimental MON value and 5305 QSPR descriptors calculated using alvaDesc + - **mon_database_v1.1.csv**: motor octane number database containing 307 molecules, each with an experimental MON value and 1875 QSPR descriptors calculated using PaDEL-Descriptor - **pp_database_v1.0.csv**: pour point database containing 41 molecules, each with an experimental pour point value and 5305 QSPR descriptors calculated using alvaDesc + - **pp_database_v1.1.csv**: pour point database containing 41 molecules, each with an experimental pour point value and 1875 QSPR descriptors calculated using PaDEL-Descriptor - **ron_database_v1.0.csv**: research octane number database containing 308 molecules, each with an experimental RON value and 5305 QSPR descriptors calculated using alvaDesc + - **ron_database_v1.1.csv**: research octane number database containing 307 molecules, each with an experimental RON value and 1875 QSPR descriptors calculated using PaDEL-Descriptor - **s_database_v1.0.csv**: octane sensitivity database containing 308 molecules, each with an experimental octane sensitivity value and 5305 QSPR descriptors calculated using alvaDesc + - **s_database_v1.1.csv**: octane sensitivity database containing 307 molecules, each with an experimental octane sensitivity value and 1875 QSPR descriptors calculated using PaDEL-Descriptor - **ysi_database_v1.0.csv**: unified yield sooting index database containing 421 molecules, each with an experimental unified yield sooting index value and 5305 QSPR descriptors calculated using alvaDesc + - **ysi_database_v1.1.csv**: unified yield sooting index database containing 421 molecules, each with an experimental unified yield sooting index value and 1875 QSPR descriptors calculated using PaDEL-Descriptor - **db_template.csv**: ECNet-formatted database template diff --git a/databases/cn_database_v1.1.csv b/databases/cn_database_v1.1.csv new file mode 100644 index 0000000..a4e6b74 --- /dev/null +++ b/databases/cn_database_v1.1.csv @@ -0,0 +1,486 @@ +DATAID,ASSIGNMENT,STRING,STRING,STRING,STRING,STRING,STRING,STRING,STRING,STRING,TARGET,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT +DATAID,ASSIGNMENT,Compound Name,SMILES,Compound Group,CG2,Formula,Source,Method,Validated By,Notes,TARGET,nAcid,ALogP,ALogp2,AMR,apol,naAromAtom,nAromBond,nAtom,nHeavyAtom,nH,nB,nC,nN,nO,nS,nP,nF,nCl,nBr,nI,nX,ATS0m,ATS1m,ATS2m,ATS3m,ATS4m,ATS5m,ATS6m,ATS7m,ATS8m,ATS0v,ATS1v,ATS2v,ATS3v,ATS4v,ATS5v,ATS6v,ATS7v,ATS8v,ATS0e,ATS1e,ATS2e,ATS3e,ATS4e,ATS5e,ATS6e,ATS7e,ATS8e,ATS0p,ATS1p,ATS2p,ATS3p,ATS4p,ATS5p,ATS6p,ATS7p,ATS8p,ATS0i,ATS1i,ATS2i,ATS3i,ATS4i,ATS5i,ATS6i,ATS7i,ATS8i,ATS0s,ATS1s,ATS2s,ATS3s,ATS4s,ATS5s,ATS6s,ATS7s,ATS8s,AATS0m,AATS1m,AATS2m,AATS3m,AATS4m,AATS5m,AATS6m,AATS7m,AATS8m,AATS0v,AATS1v,AATS2v,AATS3v,AATS4v,AATS5v,AATS6v,AATS7v,AATS8v,AATS0e,AATS1e,AATS2e,AATS3e,AATS4e,AATS5e,AATS6e,AATS7e,AATS8e,AATS0p,AATS1p,AATS2p,AATS3p,AATS4p,AATS5p,AATS6p,AATS7p,AATS8p,AATS0i,AATS1i,AATS2i,AATS3i,AATS4i,AATS5i,AATS6i,AATS7i,AATS8i,AATS0s,AATS1s,AATS2s,AATS3s,AATS4s,AATS5s,AATS6s,AATS7s,AATS8s,ATSC0c,ATSC1c,ATSC2c,ATSC3c,ATSC4c,ATSC5c,ATSC6c,ATSC7c,ATSC8c,ATSC0m,ATSC1m,ATSC2m,ATSC3m,ATSC4m,ATSC5m,ATSC6m,ATSC7m,ATSC8m,ATSC0v,ATSC1v,ATSC2v,ATSC3v,ATSC4v,ATSC5v,ATSC6v,ATSC7v,ATSC8v,ATSC0e,ATSC1e,ATSC2e,ATSC3e,ATSC4e,ATSC5e,ATSC6e,ATSC7e,ATSC8e,ATSC0p,ATSC1p,ATSC2p,ATSC3p,ATSC4p,ATSC5p,ATSC6p,ATSC7p,ATSC8p,ATSC0i,ATSC1i,ATSC2i,ATSC3i,ATSC4i,ATSC5i,ATSC6i,ATSC7i,ATSC8i,ATSC0s,ATSC1s,ATSC2s,ATSC3s,ATSC4s,ATSC5s,ATSC6s,ATSC7s,ATSC8s,AATSC0c,AATSC1c,AATSC2c,AATSC3c,AATSC4c,AATSC5c,AATSC6c,AATSC7c,AATSC8c,AATSC0m,AATSC1m,AATSC2m,AATSC3m,AATSC4m,AATSC5m,AATSC6m,AATSC7m,AATSC8m,AATSC0v,AATSC1v,AATSC2v,AATSC3v,AATSC4v,AATSC5v,AATSC6v,AATSC7v,AATSC8v,AATSC0e,AATSC1e,AATSC2e,AATSC3e,AATSC4e,AATSC5e,AATSC6e,AATSC7e,AATSC8e,AATSC0p,AATSC1p,AATSC2p,AATSC3p,AATSC4p,AATSC5p,AATSC6p,AATSC7p,AATSC8p,AATSC0i,AATSC1i,AATSC2i,AATSC3i,AATSC4i,AATSC5i,AATSC6i,AATSC7i,AATSC8i,AATSC0s,AATSC1s,AATSC2s,AATSC3s,AATSC4s,AATSC5s,AATSC6s,AATSC7s,AATSC8s,MATS1c,MATS2c,MATS3c,MATS4c,MATS5c,MATS6c,MATS7c,MATS8c,MATS1m,MATS2m,MATS3m,MATS4m,MATS5m,MATS6m,MATS7m,MATS8m,MATS1v,MATS2v,MATS3v,MATS4v,MATS5v,MATS6v,MATS7v,MATS8v,MATS1e,MATS2e,MATS3e,MATS4e,MATS5e,MATS6e,MATS7e,MATS8e,MATS1p,MATS2p,MATS3p,MATS4p,MATS5p,MATS6p,MATS7p,MATS8p,MATS1i,MATS2i,MATS3i,MATS4i,MATS5i,MATS6i,MATS7i,MATS8i,MATS1s,MATS2s,MATS3s,MATS4s,MATS5s,MATS6s,MATS7s,MATS8s,GATS1c,GATS2c,GATS3c,GATS4c,GATS5c,GATS6c,GATS7c,GATS8c,GATS1m,GATS2m,GATS3m,GATS4m,GATS5m,GATS6m,GATS7m,GATS8m,GATS1v,GATS2v,GATS3v,GATS4v,GATS5v,GATS6v,GATS7v,GATS8v,GATS1e,GATS2e,GATS3e,GATS4e,GATS5e,GATS6e,GATS7e,GATS8e,GATS1p,GATS2p,GATS3p,GATS4p,GATS5p,GATS6p,GATS7p,GATS8p,GATS1i,GATS2i,GATS3i,GATS4i,GATS5i,GATS6i,GATS7i,GATS8i,GATS1s,GATS2s,GATS3s,GATS4s,GATS5s,GATS6s,GATS7s,GATS8s,SpAbs_DzZ,SpMax_DzZ,SpDiam_DzZ,SpAD_DzZ,SpMAD_DzZ,EE_DzZ,SM1_DzZ,VE1_DzZ,VE2_DzZ,VE3_DzZ,VR1_DzZ,VR2_DzZ,VR3_DzZ,SpAbs_Dzm,SpMax_Dzm,SpDiam_Dzm,SpAD_Dzm,SpMAD_Dzm,EE_Dzm,SM1_Dzm,VE1_Dzm,VE2_Dzm,VE3_Dzm,VR1_Dzm,VR2_Dzm,VR3_Dzm,SpAbs_Dzv,SpMax_Dzv,SpDiam_Dzv,SpAD_Dzv,SpMAD_Dzv,EE_Dzv,SM1_Dzv,VE1_Dzv,VE2_Dzv,VE3_Dzv,VR1_Dzv,VR2_Dzv,VR3_Dzv,SpAbs_Dze,SpMax_Dze,SpDiam_Dze,SpAD_Dze,SpMAD_Dze,EE_Dze,SM1_Dze,VE1_Dze,VE2_Dze,VE3_Dze,VR1_Dze,VR2_Dze,VR3_Dze,SpAbs_Dzp,SpMax_Dzp,SpDiam_Dzp,SpAD_Dzp,SpMAD_Dzp,EE_Dzp,SM1_Dzp,VE1_Dzp,VE2_Dzp,VE3_Dzp,VR1_Dzp,VR2_Dzp,VR3_Dzp,SpAbs_Dzi,SpMax_Dzi,SpDiam_Dzi,SpAD_Dzi,SpMAD_Dzi,EE_Dzi,SM1_Dzi,VE1_Dzi,VE2_Dzi,VE3_Dzi,VR1_Dzi,VR2_Dzi,VR3_Dzi,SpAbs_Dzs,SpMax_Dzs,SpDiam_Dzs,SpAD_Dzs,SpMAD_Dzs,EE_Dzs,SM1_Dzs,VE1_Dzs,VE2_Dzs,VE3_Dzs,VR1_Dzs,VR2_Dzs,VR3_Dzs,nBase,BCUTw-1l,BCUTw-1h,BCUTc-1l,BCUTc-1h,BCUTp-1l,BCUTp-1h,nBonds,nBonds2,nBondsS,nBondsS2,nBondsS3,nBondsD,nBondsD2,nBondsT,nBondsQ,nBondsM,bpol,SpMax1_Bhm,SpMax2_Bhm,SpMax3_Bhm,SpMax4_Bhm,SpMax5_Bhm,SpMax6_Bhm,SpMax7_Bhm,SpMax8_Bhm,SpMin1_Bhm,SpMin2_Bhm,SpMin3_Bhm,SpMin4_Bhm,SpMin5_Bhm,SpMin6_Bhm,SpMin7_Bhm,SpMin8_Bhm,SpMax1_Bhv,SpMax2_Bhv,SpMax3_Bhv,SpMax4_Bhv,SpMax5_Bhv,SpMax6_Bhv,SpMax7_Bhv,SpMax8_Bhv,SpMin1_Bhv,SpMin2_Bhv,SpMin3_Bhv,SpMin4_Bhv,SpMin5_Bhv,SpMin6_Bhv,SpMin7_Bhv,SpMin8_Bhv,SpMax1_Bhe,SpMax2_Bhe,SpMax3_Bhe,SpMax4_Bhe,SpMax5_Bhe,SpMax6_Bhe,SpMax7_Bhe,SpMax8_Bhe,SpMin1_Bhe,SpMin2_Bhe,SpMin3_Bhe,SpMin4_Bhe,SpMin5_Bhe,SpMin6_Bhe,SpMin7_Bhe,SpMin8_Bhe,SpMax1_Bhp,SpMax2_Bhp,SpMax3_Bhp,SpMax4_Bhp,SpMax5_Bhp,SpMax6_Bhp,SpMax7_Bhp,SpMax8_Bhp,SpMin1_Bhp,SpMin2_Bhp,SpMin3_Bhp,SpMin4_Bhp,SpMin5_Bhp,SpMin6_Bhp,SpMin7_Bhp,SpMin8_Bhp,SpMax1_Bhi,SpMax2_Bhi,SpMax3_Bhi,SpMax4_Bhi,SpMax5_Bhi,SpMax6_Bhi,SpMax7_Bhi,SpMax8_Bhi,SpMin1_Bhi,SpMin2_Bhi,SpMin3_Bhi,SpMin4_Bhi,SpMin5_Bhi,SpMin6_Bhi,SpMin7_Bhi,SpMin8_Bhi,SpMax1_Bhs,SpMax2_Bhs,SpMax3_Bhs,SpMax4_Bhs,SpMax5_Bhs,SpMax6_Bhs,SpMax7_Bhs,SpMax8_Bhs,SpMin1_Bhs,SpMin2_Bhs,SpMin3_Bhs,SpMin4_Bhs,SpMin5_Bhs,SpMin6_Bhs,SpMin7_Bhs,SpMin8_Bhs,C1SP1,C2SP1,C1SP2,C2SP2,C3SP2,C1SP3,C2SP3,C3SP3,C4SP3,SCH-3,SCH-4,SCH-5,SCH-6,SCH-7,VCH-3,VCH-4,VCH-5,VCH-6,VCH-7,SC-3,SC-4,SC-5,SC-6,VC-3,VC-4,VC-5,VC-6,SPC-4,SPC-5,SPC-6,VPC-4,VPC-5,VPC-6,SP-0,SP-1,SP-2,SP-3,SP-4,SP-5,SP-6,SP-7,ASP-0,ASP-1,ASP-2,ASP-3,ASP-4,ASP-5,ASP-6,ASP-7,VP-0,VP-1,VP-2,VP-3,VP-4,VP-5,VP-6,VP-7,AVP-0,AVP-1,AVP-2,AVP-3,AVP-4,AVP-5,AVP-6,AVP-7,Sv,Sse,Spe,Sare,Sp,Si,Mv,Mse,Mpe,Mare,Mp,Mi,CrippenLogP,CrippenMR,SpMax_Dt,SpDiam_Dt,SpAD_Dt,SpMAD_Dt,EE_Dt,VE1_Dt,VE2_Dt,VE3_Dt,VR1_Dt,VR2_Dt,VR3_Dt,ECCEN,nHBd,nwHBd,nHBa,nwHBa,nHBint2,nHBint3,nHBint4,nHBint5,nHBint6,nHBint7,nHBint8,nHBint9,nHBint10,nHsOH,nHdNH,nHsSH,nHsNH2,nHssNH,nHaaNH,nHsNH3p,nHssNH2p,nHsssNHp,nHtCH,nHdCH2,nHdsCH,nHaaCH,nHCHnX,nHCsats,nHCsatu,nHAvin,nHother,nHmisc,nsLi,nssBe,nssssBem,nsBH2,nssBH,nsssB,nssssBm,nsCH3,ndCH2,nssCH2,ntCH,ndsCH,naaCH,nsssCH,nddC,ntsC,ndssC,naasC,naaaC,nssssC,nsNH3p,nsNH2,nssNH2p,ndNH,nssNH,naaNH,ntN,nsssNHp,ndsN,naaN,nsssN,nddsN,naasN,nssssNp,nsOH,ndO,nssO,naaO,naOm,nsOm,nsF,nsSiH3,nssSiH2,nsssSiH,nssssSi,nsPH2,nssPH,nsssP,ndsssP,nddsP,nsssssP,nsSH,ndS,nssS,naaS,ndssS,nddssS,nssssssS,nSm,nsCl,nsGeH3,nssGeH2,nsssGeH,nssssGe,nsAsH2,nssAsH,nsssAs,ndsssAs,nddsAs,nsssssAs,nsSeH,ndSe,nssSe,naaSe,ndssSe,nssssssSe,nddssSe,nsBr,nsSnH3,nssSnH2,nsssSnH,nssssSn,nsI,nsPbH3,nssPbH2,nsssPbH,nssssPb,SHBd,SwHBd,SHBa,SwHBa,SHBint2,SHBint3,SHBint4,SHBint5,SHBint6,SHBint7,SHBint8,SHBint9,SHBint10,SHsOH,SHdNH,SHsSH,SHsNH2,SHssNH,SHaaNH,SHsNH3p,SHssNH2p,SHsssNHp,SHtCH,SHdCH2,SHdsCH,SHaaCH,SHCHnX,SHCsats,SHCsatu,SHAvin,SHother,SHmisc,SsLi,SssBe,SssssBem,SsBH2,SssBH,SsssB,SssssBm,SsCH3,SdCH2,SssCH2,StCH,SdsCH,SaaCH,SsssCH,SddC,StsC,SdssC,SaasC,SaaaC,SssssC,SsNH3p,SsNH2,SssNH2p,SdNH,SssNH,SaaNH,StN,SsssNHp,SdsN,SaaN,SsssN,SddsN,SaasN,SssssNp,SsOH,SdO,SssO,SaaO,SaOm,SsOm,SsF,SsSiH3,SssSiH2,SsssSiH,SssssSi,SsPH2,SssPH,SsssP,SdsssP,SddsP,SsssssP,SsSH,SdS,SssS,SaaS,SdssS,SddssS,SssssssS,SSm,SsCl,SsGeH3,SssGeH2,SsssGeH,SssssGe,SsAsH2,SssAsH,SsssAs,SdsssAs,SddsAs,SsssssAs,SsSeH,SdSe,SssSe,SaaSe,SdssSe,SssssssSe,SddssSe,SsBr,SsSnH3,SssSnH2,SsssSnH,SssssSn,SsI,SsPbH3,SssPbH2,SsssPbH,SssssPb,minHBd,minwHBd,minHBa,minwHBa,minHBint2,minHBint3,minHBint4,minHBint5,minHBint6,minHBint7,minHBint8,minHBint9,minHBint10,minHsOH,minHdNH,minHsSH,minHsNH2,minHssNH,minHaaNH,minHsNH3p,minHssNH2p,minHsssNHp,minHtCH,minHdCH2,minHdsCH,minHaaCH,minHCHnX,minHCsats,minHCsatu,minHAvin,minHother,minHmisc,minsLi,minssBe,minssssBem,minsBH2,minssBH,minsssB,minssssBm,minsCH3,mindCH2,minssCH2,mintCH,mindsCH,minaaCH,minsssCH,minddC,mintsC,mindssC,minaasC,minaaaC,minssssC,minsNH3p,minsNH2,minssNH2p,mindNH,minssNH,minaaNH,mintN,minsssNHp,mindsN,minaaN,minsssN,minddsN,minaasN,minssssNp,minsOH,mindO,minssO,minaaO,minaOm,minsOm,minsF,minsSiH3,minssSiH2,minsssSiH,minssssSi,minsPH2,minssPH,minsssP,mindsssP,minddsP,minsssssP,minsSH,mindS,minssS,minaaS,mindssS,minddssS,minssssssS,minSm,minsCl,minsGeH3,minssGeH2,minsssGeH,minssssGe,minsAsH2,minssAsH,minsssAs,mindsssAs,minddsAs,minsssssAs,minsSeH,mindSe,minssSe,minaaSe,mindssSe,minssssssSe,minddssSe,minsBr,minsSnH3,minssSnH2,minsssSnH,minssssSn,minsI,minsPbH3,minssPbH2,minsssPbH,minssssPb,maxHBd,maxwHBd,maxHBa,maxwHBa,maxHBint2,maxHBint3,maxHBint4,maxHBint5,maxHBint6,maxHBint7,maxHBint8,maxHBint9,maxHBint10,maxHsOH,maxHdNH,maxHsSH,maxHsNH2,maxHssNH,maxHaaNH,maxHsNH3p,maxHssNH2p,maxHsssNHp,maxHtCH,maxHdCH2,maxHdsCH,maxHaaCH,maxHCHnX,maxHCsats,maxHCsatu,maxHAvin,maxHother,maxHmisc,maxsLi,maxssBe,maxssssBem,maxsBH2,maxssBH,maxsssB,maxssssBm,maxsCH3,maxdCH2,maxssCH2,maxtCH,maxdsCH,maxaaCH,maxsssCH,maxddC,maxtsC,maxdssC,maxaasC,maxaaaC,maxssssC,maxsNH3p,maxsNH2,maxssNH2p,maxdNH,maxssNH,maxaaNH,maxtN,maxsssNHp,maxdsN,maxaaN,maxsssN,maxddsN,maxaasN,maxssssNp,maxsOH,maxdO,maxssO,maxaaO,maxaOm,maxsOm,maxsF,maxsSiH3,maxssSiH2,maxsssSiH,maxssssSi,maxsPH2,maxssPH,maxsssP,maxdsssP,maxddsP,maxsssssP,maxsSH,maxdS,maxssS,maxaaS,maxdssS,maxddssS,maxssssssS,maxSm,maxsCl,maxsGeH3,maxssGeH2,maxsssGeH,maxssssGe,maxsAsH2,maxssAsH,maxsssAs,maxdsssAs,maxddsAs,maxsssssAs,maxsSeH,maxdSe,maxssSe,maxaaSe,maxdssSe,maxssssssSe,maxddssSe,maxsBr,maxsSnH3,maxssSnH2,maxsssSnH,maxssssSn,maxsI,maxsPbH3,maxssPbH2,maxsssPbH,maxssssPb,sumI,meanI,hmax,gmax,hmin,gmin,LipoaffinityIndex,MAXDN,MAXDP,DELS,MAXDN2,MAXDP2,DELS2,ETA_Alpha,ETA_AlphaP,ETA_dAlpha_A,ETA_dAlpha_B,ETA_Epsilon_1,ETA_Epsilon_2,ETA_Epsilon_3,ETA_Epsilon_4,ETA_Epsilon_5,ETA_dEpsilon_A,ETA_dEpsilon_B,ETA_dEpsilon_C,ETA_dEpsilon_D,ETA_Psi_1,ETA_dPsi_A,ETA_dPsi_B,ETA_Shape_P,ETA_Shape_Y,ETA_Shape_X,ETA_Beta,ETA_BetaP,ETA_Beta_s,ETA_BetaP_s,ETA_Beta_ns,ETA_BetaP_ns,ETA_dBeta,ETA_dBetaP,ETA_Beta_ns_d,ETA_BetaP_ns_d,ETA_Eta,ETA_EtaP,ETA_Eta_R,ETA_Eta_F,ETA_EtaP_F,ETA_Eta_L,ETA_EtaP_L,ETA_Eta_R_L,ETA_Eta_F_L,ETA_EtaP_F_L,ETA_Eta_B,ETA_EtaP_B,ETA_Eta_B_RC,ETA_EtaP_B_RC,FMF,fragC,nHBAcc,nHBAcc2,nHBAcc3,nHBAcc_Lipinski,nHBDon,nHBDon_Lipinski,HybRatio,IC0,IC1,IC2,IC3,IC4,IC5,TIC0,TIC1,TIC2,TIC3,TIC4,TIC5,SIC0,SIC1,SIC2,SIC3,SIC4,SIC5,CIC0,CIC1,CIC2,CIC3,CIC4,CIC5,BIC0,BIC1,BIC2,BIC3,BIC4,BIC5,MIC0,MIC1,MIC2,MIC3,MIC4,MIC5,ZMIC0,ZMIC1,ZMIC2,ZMIC3,ZMIC4,ZMIC5,Kier1,Kier2,Kier3,nAtomLC,nAtomP,nAtomLAC,MLogP,McGowan_Volume,MDEC-11,MDEC-12,MDEC-13,MDEC-14,MDEC-22,MDEC-23,MDEC-24,MDEC-33,MDEC-34,MDEC-44,MDEO-11,MDEO-12,MDEO-22,MDEN-11,MDEN-12,MDEN-13,MDEN-22,MDEN-23,MDEN-33,MLFER_A,MLFER_BH,MLFER_BO,MLFER_S,MLFER_E,MLFER_L,MPC2,MPC3,MPC4,MPC5,MPC6,MPC7,MPC8,MPC9,MPC10,TPC,piPC1,piPC2,piPC3,piPC4,piPC5,piPC6,piPC7,piPC8,piPC9,piPC10,TpiPC,R_TpiPCTPC,PetitjeanNumber,nRing,n3Ring,n4Ring,n5Ring,n6Ring,n7Ring,n8Ring,n9Ring,n10Ring,n11Ring,n12Ring,nG12Ring,nFRing,nF4Ring,nF5Ring,nF6Ring,nF7Ring,nF8Ring,nF9Ring,nF10Ring,nF11Ring,nF12Ring,nFG12Ring,nTRing,nT4Ring,nT5Ring,nT6Ring,nT7Ring,nT8Ring,nT9Ring,nT10Ring,nT11Ring,nT12Ring,nTG12Ring,nHeteroRing,n3HeteroRing,n4HeteroRing,n5HeteroRing,n6HeteroRing,n7HeteroRing,n8HeteroRing,n9HeteroRing,n10HeteroRing,n11HeteroRing,n12HeteroRing,nG12HeteroRing,nFHeteroRing,nF4HeteroRing,nF5HeteroRing,nF6HeteroRing,nF7HeteroRing,nF8HeteroRing,nF9HeteroRing,nF10HeteroRing,nF11HeteroRing,nF12HeteroRing,nFG12HeteroRing,nTHeteroRing,nT4HeteroRing,nT5HeteroRing,nT6HeteroRing,nT7HeteroRing,nT8HeteroRing,nT9HeteroRing,nT10HeteroRing,nT11HeteroRing,nT12HeteroRing,nTG12HeteroRing,nRotB,RotBFrac,nRotBt,RotBtFrac,LipinskiFailures,topoRadius,topoDiameter,topoShape,GGI1,GGI2,GGI3,GGI4,GGI5,GGI6,GGI7,GGI8,GGI9,GGI10,JGI1,JGI2,JGI3,JGI4,JGI5,JGI6,JGI7,JGI8,JGI9,JGI10,JGT,SpMax_D,SpDiam_D,SpAD_D,SpMAD_D,EE_D,VE1_D,VE2_D,VE3_D,VR1_D,VR2_D,VR3_D,TopoPSA,VABC,VAdjMat,MWC2,MWC3,MWC4,MWC5,MWC6,MWC7,MWC8,MWC9,MWC10,TWC,SRW2,SRW3,SRW4,SRW5,SRW6,SRW7,SRW8,SRW9,SRW10,TSRW,MW,AMW,WTPT-1,WTPT-2,WTPT-3,WTPT-4,WTPT-5,WPATH,WPOL,XLogP,Zagreb,TDB1u,TDB2u,TDB3u,TDB4u,TDB5u,TDB6u,TDB7u,TDB8u,TDB9u,TDB10u,TDB1m,TDB2m,TDB3m,TDB4m,TDB5m,TDB6m,TDB7m,TDB8m,TDB9m,TDB10m,TDB1v,TDB2v,TDB3v,TDB4v,TDB5v,TDB6v,TDB7v,TDB8v,TDB9v,TDB10v,TDB1e,TDB2e,TDB3e,TDB4e,TDB5e,TDB6e,TDB7e,TDB8e,TDB9e,TDB10e,TDB1p,TDB2p,TDB3p,TDB4p,TDB5p,TDB6p,TDB7p,TDB8p,TDB9p,TDB10p,TDB1i,TDB2i,TDB3i,TDB4i,TDB5i,TDB6i,TDB7i,TDB8i,TDB9i,TDB10i,TDB1s,TDB2s,TDB3s,TDB4s,TDB5s,TDB6s,TDB7s,TDB8s,TDB9s,TDB10s,TDB1r,TDB2r,TDB3r,TDB4r,TDB5r,TDB6r,TDB7r,TDB8r,TDB9r,TDB10r,PPSA-1,PPSA-2,PPSA-3,PNSA-1,PNSA-2,PNSA-3,DPSA-1,DPSA-2,DPSA-3,FPSA-1,FPSA-2,FPSA-3,FNSA-1,FNSA-2,FNSA-3,WPSA-1,WPSA-2,WPSA-3,WNSA-1,WNSA-2,WNSA-3,RPCG,RNCG,RPCS,RNCS,THSA,TPSA,RHSA,RPSA,GRAV-1,GRAV-2,GRAV-3,GRAVH-1,GRAVH-2,GRAVH-3,GRAV-4,GRAV-5,GRAV-6,LOBMAX,LOBMIN,MOMI-X,MOMI-Y,MOMI-Z,MOMI-XY,MOMI-XZ,MOMI-YZ,MOMI-R,geomRadius,geomDiameter,geomShape,RDF10u,RDF15u,RDF20u,RDF25u,RDF30u,RDF35u,RDF40u,RDF45u,RDF50u,RDF55u,RDF60u,RDF65u,RDF70u,RDF75u,RDF80u,RDF85u,RDF90u,RDF95u,RDF100u,RDF105u,RDF110u,RDF115u,RDF120u,RDF125u,RDF130u,RDF135u,RDF140u,RDF145u,RDF150u,RDF155u,RDF10m,RDF15m,RDF20m,RDF25m,RDF30m,RDF35m,RDF40m,RDF45m,RDF50m,RDF55m,RDF60m,RDF65m,RDF70m,RDF75m,RDF80m,RDF85m,RDF90m,RDF95m,RDF100m,RDF105m,RDF110m,RDF115m,RDF120m,RDF125m,RDF130m,RDF135m,RDF140m,RDF145m,RDF150m,RDF155m,RDF10v,RDF15v,RDF20v,RDF25v,RDF30v,RDF35v,RDF40v,RDF45v,RDF50v,RDF55v,RDF60v,RDF65v,RDF70v,RDF75v,RDF80v,RDF85v,RDF90v,RDF95v,RDF100v,RDF105v,RDF110v,RDF115v,RDF120v,RDF125v,RDF130v,RDF135v,RDF140v,RDF145v,RDF150v,RDF155v,RDF10e,RDF15e,RDF20e,RDF25e,RDF30e,RDF35e,RDF40e,RDF45e,RDF50e,RDF55e,RDF60e,RDF65e,RDF70e,RDF75e,RDF80e,RDF85e,RDF90e,RDF95e,RDF100e,RDF105e,RDF110e,RDF115e,RDF120e,RDF125e,RDF130e,RDF135e,RDF140e,RDF145e,RDF150e,RDF155e,RDF10p,RDF15p,RDF20p,RDF25p,RDF30p,RDF35p,RDF40p,RDF45p,RDF50p,RDF55p,RDF60p,RDF65p,RDF70p,RDF75p,RDF80p,RDF85p,RDF90p,RDF95p,RDF100p,RDF105p,RDF110p,RDF115p,RDF120p,RDF125p,RDF130p,RDF135p,RDF140p,RDF145p,RDF150p,RDF155p,RDF10i,RDF15i,RDF20i,RDF25i,RDF30i,RDF35i,RDF40i,RDF45i,RDF50i,RDF55i,RDF60i,RDF65i,RDF70i,RDF75i,RDF80i,RDF85i,RDF90i,RDF95i,RDF100i,RDF105i,RDF110i,RDF115i,RDF120i,RDF125i,RDF130i,RDF135i,RDF140i,RDF145i,RDF150i,RDF155i,RDF10s,RDF15s,RDF20s,RDF25s,RDF30s,RDF35s,RDF40s,RDF45s,RDF50s,RDF55s,RDF60s,RDF65s,RDF70s,RDF75s,RDF80s,RDF85s,RDF90s,RDF95s,RDF100s,RDF105s,RDF110s,RDF115s,RDF120s,RDF125s,RDF130s,RDF135s,RDF140s,RDF145s,RDF150s,RDF155s,L1u,L2u,L3u,P1u,P2u,E1u,E2u,E3u,Tu,Au,Vu,Ku,Du,L1m,L2m,L3m,P1m,P2m,E1m,E2m,E3m,Tm,Am,Vm,Km,Dm,L1v,L2v,L3v,P1v,P2v,E1v,E2v,E3v,Tv,Av,Vv,Kv,Dv,L1e,L2e,L3e,P1e,P2e,E1e,E2e,E3e,Te,Ae,Ve,Ke,De,L1p,L2p,L3p,P1p,P2p,E1p,E2p,E3p,Tp,Ap,Vp,Kp,Dp,L1i,L2i,L3i,P1i,P2i,E1i,E2i,E3i,Ti,Ai,Vi,Ki,Di,L1s,L2s,L3s,P1s,P2s,E1s,E2s,E3s,Ts,As,Vs,Ks,Ds +UMLCN0001,L,"5,5'-(furan-2-ylmethylene)bis(2-methylfuran)",CC1=CC=C(O1)C(C2=CC=CO2)C3=CC=C(O3)C,Cyclic Ethers,Aromatics,C15H14O3,Kessler (2017),IQT,UML,,25.5,0,0.4341999999999989,0.18852963999999905,77.68699999999998,38.14110199999999,15,15,32,18,14,0,15,0,3,0,0,0.0,0.0,0.0,0.0,0.0,2946.090713999999,3342.180860000002,4854.873248000003,3973.534942000003,4746.751274000004,4987.472332000007,3602.4692200000045,1743.192199999998,524.749849,7437.098279166039,9351.926266132807,13322.533509935107,12471.39243770134,13418.272608511481,13736.149241112655,12594.622905031272,8292.540460804275,4394.039048190704,247.22138400000014,265.417376,444.9313520000001,506.38084000000003,509.1608240000003,521.6544160000002,524.7835360000004,455.49008,335.28336400000006,49.987692667886016,62.67026034,89.84446023509392,86.95638622939597,95.22941034848988,92.84719178448992,93.89283795164093,67.91873699079198,43.75364868243307,5047.116327096986,4838.8966237306,8505.666904620444,9834.90047615305,10074.770833056993,10197.807868523192,10687.737619700247,9615.828912080593,7864.070871889236,102.41666666666666,109.49999999999999,172.72222222222217,181.27777777777777,196.52777777777774,206.3333333333333,182.44444444444443,142.66666666666669,79.0,92.06533481249997,98.2994370588236,85.17321487719303,63.07198320634925,71.9204738484849,75.56776260606071,52.209698840579776,29.053203333333297,10.932288520833334,232.40932122393872,275.056654886259,233.72865806903695,197.9586101222435,203.30716073502245,208.12347335019174,182.53076673958367,138.20900768007127,91.54248017063968,7.7256682500000045,7.806393411764706,7.805813192982458,8.037791111111112,7.714557939393943,7.903854787878791,7.605558492753628,7.5915013333333325,6.985070083333334,1.562115395871438,1.8432429511764705,1.5762186006156829,1.3802600988793012,1.4428698537649982,1.406775633098332,1.360765767415086,1.1319789498465331,0.9115343475506889,157.72238522178083,142.32048893325296,149.2222263968499,156.10953136750874,152.64804292510595,154.5122404321696,154.89474811159778,160.26381520134322,163.83480983102575,3.200520833333333,3.2205882352941173,3.030214424951266,2.877425044091711,2.977693602693602,3.1262626262626254,2.644122383252818,2.377777777777778,1.6458333333333333,0.3882904968381808,-0.11812218715291257,-0.006133894949921816,-0.33048315488202634,0.4671188071854088,-0.0953504472050283,-0.11684125320667708,-0.08400370262730043,0.045627605403165905,1111.8191178750003,92.54550225781193,308.7951732851556,-758.5461570664067,329.2795256328122,222.2313987578122,-522.2205508554682,-1093.9290855156255,-122.22015481249865,1635.366628237237,-24.038034026798172,86.71425685021038,-270.2456989647659,-143.17531703007302,244.8172412220909,-469.2749017490843,-1011.201619232328,-575.1432560051712,2.795334000000001,-0.04772087499999988,-0.07730893749999984,-2.198216562499997,2.674617125000002,-0.7399358749999992,-0.9183336875000002,-1.4987462499999988,0.5932389999999986,7.688155593685874,-0.8134255501124834,-1.3487297603623314,1.1696505411378086,-1.3265398497941119,-0.027824754801239665,-0.9904716936583534,-1.9938578238690177,-3.302284598038816,43.694441832301436,-5.704001975688771,-10.476194106795111,9.570615425667961,-7.145972800442124,-2.527112888189796,-3.814115783010857,-6.974492906191898,-18.93364303221201,17.374131944444454,-1.2013346354166679,3.053195529513886,-18.36330837673611,16.542588975694454,2.9818250868055536,-5.870090060763886,-16.312608506944443,1.15755208333334,0.01213407802619315,-0.003474181975085664,-1.0761219210389151E-4,-0.005245764363206768,0.007077557684627407,-0.0014447037455307319,-0.0016933514957489433,-0.0014000617104550073,9.505751125659564E-4,34.74434743359376,2.7219265369944687,5.417459180441327,-12.040415191530267,4.989083721709275,3.367142405421397,-7.568413780514033,-18.232151425260426,-2.5462532252603887,51.10520713241365,-0.7070010007881815,1.5213027517580768,-4.289614269281999,-2.1693229853041367,3.70935213972865,-6.801085532595424,-16.8533603205388,-11.9821511667744,0.08735418750000003,-0.0014035551470588199,-0.0013562971491228042,-0.034892326388888846,0.04052450189393942,-0.01121114962121211,-0.013309183876811598,-0.024979104166666648,0.012359145833333305,0.24025486230268356,-0.023924280885661276,-0.02366192562039178,0.01856588160536204,-0.020099088633244118,-4.2158719395817674E-4,-0.014354662226932657,-0.033230963731150295,-0.06879759579247534,1.3654513072594199,-0.16776476399084622,-0.1837928790665809,0.1519145305661581,-0.10827231515821399,-0.038289589214996915,-0.055277040333490686,-0.11624154843653163,-0.3944508965044169,0.5429416232638892,-0.035333371629901994,0.05356483385112081,-0.29148108534501765,0.250645287510522,0.04517916798190233,-0.08507376899657805,-0.271876808449074,0.024115668402777915,-0.2863161063894713,-0.008868592395037773,-0.4323166829719598,0.5832793945571705,-0.11906168251202369,-0.13955337126509332,-0.1153826197122495,0.07833929454829643,0.07834156454360922,0.15592346901307091,-0.3465431381188809,0.1435941121428405,0.09691194839266892,-0.21783151331247202,-0.5247515861423849,-0.07328539498768817,-0.013834226304109111,0.029768057642666032,-0.08393693147877482,-0.042448179100094796,0.07258266520900139,-0.13308008937276788,-0.3297777519396746,-0.2344604755387965,-0.016067405435587382,-0.015526412504527087,-0.39943507446496296,0.46391023777697443,-0.12834129584471388,-0.15235885373911345,-0.28595199476460864,0.1414831525201159,-0.09957875839166336,-0.09848677106306158,0.07727577884343474,-0.08365736468601584,-0.0017547498931657116,-0.059747645018930054,-0.13831546805194092,-0.2863525638278285,-0.1228639667331417,-0.13460229455964218,0.11125591206255743,-0.07929416053328624,-0.028041709734671877,-0.040482615556930064,-0.08513049701482112,-0.2888795040931297,-0.06507766234147921,0.09865670922246898,-0.5368552950366587,0.4616431615682178,0.08321183354908052,-0.1566904531746116,-0.500747772503955,0.04441668748438694,1.203665414544011,1.08892526591485,2.0105102974537044,0.41072489267590656,1.4381663035355599,1.0389306261901685,1.0970874777638988,0.10103217811866565,0.7341018849424226,0.749182856278592,1.356454777237097,0.7873362078981456,0.887728571032309,1.1588441092530335,1.526755175258203,1.054872095048252,0.936224232387518,0.9004406061652119,0.9645297257329395,0.9995717438843733,0.8425179301987129,1.1001962779602248,1.2961862828051425,1.3335980935622282,0.8609044256481355,1.0427141123480466,1.9703244366823023,0.47537601133629376,1.4435687644069888,1.0510919423146787,1.3209042878835462,0.0821900889124518,1.103540521050257,1.0769193196218936,0.8619926754992198,1.0603790938013147,0.955873490067984,1.0333334749563723,1.0895259438813087,1.2681500966866424,1.1465354245762853,1.129064933955321,0.8650594354523707,1.0607756552576537,1.0049902470270915,1.013724078585536,1.0343269016097147,1.2120698754457606,0.8731804088110383,0.8538718767941583,1.8806339689677178,0.4588316338503694,1.1091560117790442,1.07026976144703,1.544708135564992,0.4956282787909066,97.86490814658248,49.30745407329122,67.06941771661138,98.53157481324911,5.473976378513839,49.30745407329122,0.7499999999999503,1.6653345369377348E-16,9.25185853854297E-18,-65.3964038308241,8000044.458654036,444446.91436966864,28.61092378252876,97.88761066709326,49.31770370219468,67.08386489176864,98.5523188780231,5.475128826556839,49.31770370219468,0.747796737296099,5.551115123125783E-17,3.0839528461809902E-18,-67.37390595042669,8000044.460904325,444446.9144946847,28.610923783035076,118.5076999722402,58.65535826903307,80.31582374866498,117.4437146974188,6.524650816523268,58.65535826903307,-1.196983434174058,1.609823385706477E-15,8.943463253924872E-17,-61.31277345645103,8000046.8393163895,444447.0466286883,28.610924318174735,97.91143899490709,49.32846169778196,67.09902887281834,98.57409179549093,5.47633843308283,49.32846169778196,0.7454844006568351,1.5543122344752192E-15,8.635067969306773E-17,-61.375937832111326,8000044.463267669,444446.9146259816,28.61092378356682,141.6920188392201,68.94427565135959,94.98387846644889,139.88819506532147,7.771566392517858,68.94427565135959,-3.246882793017548,1.27675647831893E-15,7.093091546216277E-17,-61.73001636175422,8000049.651083928,444447.20283799595,28.610924950818614,100.25039909065129,50.38490082414306,68.58932285943337,100.71209025299336,5.595116125166298,50.38490082414306,0.5194025576348409,0.0,0.0,0.0,8000044.702082004,444446.92789344466,28.610923837299747,116.48209876922621,58.70124821687283,81.66303534398445,117.32257783872444,6.517920991040247,58.70124821687283,1.2023809523809774,1.1102230246251565E-16,6.1679056923619804E-18,-66.12624102541878,8000042.743906386,444446.81910591037,28.610923396712643,0,11.889999999999999,15.996925960608875,-0.3211718855378676,0.1358749791363419,5.694971621412741,10.721881057440154,20.0,34.0,28.0,19.0,5.0,6.0,0.0,0.0,0.0,15.0,21.052897999999995,3.9683163034967746,3.742535684157183,3.7054549627555082,2.9196418752627227,2.643908012484318,2.4615803681111585,2.183645863369231,2.1131059177029625,1.7780944904661389,1.6641370679951366,1.654845300725614,1.5284031779032534,1.3514963129409783,1.2479123179470566,0.9824028529808705,0.8303000036559203,3.8891251708911008,3.658746825363868,3.618851513023868,2.9422508243698537,2.686457794402685,2.494555022229764,2.1067543081880173,1.9179737220005864,1.804804577925958,1.6393391737464342,1.6391388413821046,1.5127545784772347,1.3476346977195957,1.3075251253158187,0.9707277472764824,0.8857948118400533,4.002469334924451,3.7877059443524645,3.754605304317296,3.0672809729286743,2.8830681329521406,2.6743270798479313,2.348365824180037,2.2269308964586756,1.6933242140659246,1.479054050232749,1.4704869779268015,1.3583386341414305,1.1548578517435897,1.0791600508489623,0.6385138598263076,0.5242205139663034,3.869517036137056,3.6402254040496542,3.5999238150757753,2.96073458968892,2.7183878297500943,2.5233007240312593,2.1153232724265822,1.8868705911454413,1.8288049264529684,1.632304192698885,1.6260860683834464,1.5058676779889917,1.3559734798180731,1.342608272180565,0.9331930353166982,0.8772444401134412,3.999330275976663,3.7895085200414407,3.7566257545199018,3.1355497947475905,2.980255025204748,2.7572131397014337,2.4099444172954008,2.2355590612637823,1.6862906497207382,1.4479298218265553,1.4430958785063321,1.3286265453181558,1.1411513324558724,1.081600243276719,0.5475137104933259,0.44709050215211715,4.064346685810581,3.883487209533194,3.8769295838783937,2.9551084139660087,2.7930120317102127,2.595526971929153,2.4722447515149324,2.4246988320793723,1.7790048706177335,1.515410780172805,1.502731161862526,1.3560409337617743,1.1669867400832132,1.0433413249252048,0.7430676452435843,0.5878369554679018,0,0,1,11,0,2,0,1,0,0.0,0.0,0.3800398276929223,0.45511835721680355,0.3894426486165692,0.0,0.0,0.10732509180989647,0.1300055523912222,0.10124788071316432,1.188461380300737,0.0,0.16666666666666666,0.0,0.5119951892761506,0.0,0.05103103630798288,0.0,2.4541910242987606,4.3129158394261164,5.277438852545396,0.8966226085736165,1.2814172659235241,1.2992680307232571,12.535169427003234,8.737183443017884,7.978494775938695,6.503573307334139,5.698404349788563,3.666673008459268,2.6951658649511945,2.001980992510883,0.6963983015001797,0.4368591721508942,0.28494624199781055,0.17577225154957132,0.11173341862330514,0.07051294247037053,0.04491943108251991,0.031280953007982545,10.343547024908597,5.899057396647011,4.345261765108623,2.919029579961887,2.093298221056644,1.200926160960097,0.7216611346688271,0.424035493961032,0.574641501383811,0.2949528698323506,0.15518792018245084,0.07889269135032127,0.04104506315797341,0.02309473386461725,0.012027685577813784,0.006625554593141125,20.93719193975166,32.2068463219228,31.125490196078438,31.519999999999985,22.030600000000018,239.60290538922158,0.6542872481172394,1.0064639475600874,0.9726715686274512,0.9849999999999995,0.6884562500000005,7.487590793413174,3.630040000000002,67.35300000000004,110.76194039460145,143.23658136266147,221.5238807892029,12.306882266066829,110.76194039460145,5.551115123125783E-17,3.0839528461809902E-18,-67.37390595042669,8000048.159906782,444447.11999482126,28.61092461530581,243,0.0,0.0,3.0,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,7.0,1.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.929208238851096,17.506898148148146,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.907682114512472,0.0,0.0,0.0,0.0,3.907682114512472,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.8533380574452005,0.0,0.0,0.0,0.0,13.268964474678759,-0.12277777777777787,0.0,0.0,0.0,4.237933673469389,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.929208238851096,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.502983749055177,0.8182407407407408,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5276909722222223,0.0,0.0,0.0,0.0,0.5276909722222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9266690287226,0.0,0.0,0.0,0.0,1.6606424792139078,-0.12277777777777787,0.0,0.0,0.0,0.8182407407407408,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.502983749055177,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.713112244897959,1.9587037037037036,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6557291666666667,0.0,0.0,0.0,0.0,0.6557291666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9266690287226003,0.0,0.0,0.0,0.0,1.9587037037037036,0.0,0.0,0.0,0.0,0.8794760959939534,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.713112244897959,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,38.16666666666667,2.1203703703703707,0.8979166666666667,5.713112244897959,-0.02138038548752852,-0.12277777777777787,6.427468597883598,1.4561111111111111,2.2131122448979594,12.858416477702194,1.4561111111111111,2.2131122448979594,12.858416477702194,8.49999,0.47222,0.0,0.02778,0.59688,0.82778,0.444,0.51591,0.82778,0.15288,0.08097,-0.07191,0.0,0.57047,0.14382,0.0,0.11765,0.35294,0.0,26.5,1.47222,11.5,0.63889,15.0,0.83333,3.5,0.19444,0.0,0.0,10.94336,0.60796,26.81289,15.86953,0.88164,3.45271,0.19182,8.73715,5.28444,0.29358,0.17685,0.00983,0.43485,0.02416,0.5,94.03,0,3,3,3,0,0,0.2,1.3543370204656968,2.713210253445823,3.3317475629608078,3.6914280318460246,3.757048827786958,3.8431390622295662,43.3387846549023,86.82272811026634,106.61592201474585,118.12569701907279,120.22556248918265,122.98044999134612,0.27086740409313936,0.5426420506891646,0.6663495125921616,0.7382856063692049,0.7514097655573916,0.7686278124459133,3.645662979534303,2.286789746554177,1.6682524370391922,1.3085719681539754,1.2429511722130422,1.1568609377704338,0.2519678297739139,0.5047795998709396,0.6198554644139437,0.6867722700447231,0.6989807006579454,0.7149973709618943,11.795533698732626,23.292935945994138,28.21390711252186,31.19035520316663,29.019928507663078,31.34325337721767,61.1043384735402,48.12877509992368,38.12517220862594,32.040786642590994,35.364003120132196,31.409022263393922,13.005,5.551020408163265,2.8049671292914535,0,5,0,2.78,1.8143999999999985,0.12499999999999997,2.8213032449095983,3.3533434039648777,0.0,5.8928796043461,14.214494972966005,0.0,6.305298898315056,0.0,0.0,0.0,0.0,0.75,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.314,0.34800000000000003,1.0180000000000002,1.13,7.795,28.0,37.0,51.0,52.0,60.0,64.0,53.0,42.0,21.0,446.0,3.349904087274605,3.965563772356176,4.523146350509501,5.13100756737452,5.241085420592904,5.6507332535663855,6.101439400316553,6.2871612911039,6.410996912427582,6.123862485115446,7.963525304594436,6.4421244394618835,0.5,3.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.15,5.0,0.25,0,4.0,8.0,1.0,3.5,1.7777777777777786,1.4722222222222223,0.39000000000000024,0.7377777777777778,0.28571428571428586,0.194515306122449,0.0,0.0,0.0,0.175,0.06349206349206352,0.06691919191919192,0.01500000000000001,0.026349206349206348,0.014285714285714294,0.024314413265306124,0.0,0.0,0.0,0.3853605893114822,65.49463505827995,88.42536959114578,130.9892701165599,7.277181673142216,65.49463505827995,2.220446049250313E-16,1.2335811384723961E-17,-64.87857610041088,8000047.470317669,444447.08168431494,28.610924460149185,39.42,208.77877988328368,5.169925001442312,4.574710978503383,5.424950017481403,6.311734809152915,7.1846291527173145,8.078688229229872,8.959954084268098,9.855504562513977,10.740367043985996,11.63582428156526,110.76636315941822,3.713572066704308,0.0,5.030437921392435,3.4339872044851463,6.508769136971682,5.638354669333745,8.071218539969863,7.573017256052546,9.68911789777328,10.020158859339821,242.094294308,7.565446697125,36.77786334365689,2.0432146302031606,9.113480149113666,9.113480149113666,0.0,570.0,22.0,2.007,96.0,1.4101183580586423,2.433540688870859,3.457350947890828,4.324448199919799,5.415044456293746,6.313783572026398,7.267986217601372,8.410063220939287,9.313519070369955,9.36921601485182,158.17320093718794,226.51470734058606,230.2263149361053,325.6797594001355,419.73852758517245,345.99646896171254,227.24709593504306,94.34803066331897,34.696978339596136,9.519723100914398,418.6750149824467,600.4141367949726,715.3219573630113,927.9793733363053,1157.3997978332882,1193.7756979492829,1055.4149210810558,782.1468320771841,479.82265986285694,291.2303161238329,11.22023306812152,19.274877481023974,27.926579755647246,33.36750878297419,42.766343655045176,48.129100526801565,55.04580811354881,58.79443944513374,63.48071339300676,62.94674050400541,2.715562274888686,3.9598898697134524,4.939411647914477,6.54006708519619,7.810581069274039,8.825396365544986,8.577877840782087,7.757379871691804,5.662836305816544,4.165674348521039,199.10108802796753,360.380442679796,536.817702938979,651.9451531395404,831.9634947960934,972.9148043922054,1153.618139696147,1373.97652087201,1649.8951498776366,1732.5334267743895,4.898001115873171,7.826629368003794,10.145173427268924,12.952902740295709,16.983120327722034,16.958911822425208,17.480341133431587,13.980915367851638,11.588678415339345,9.36921601485182,0.6203809001481351,0.9333889004178199,1.1675130427605318,1.4917239172656978,1.8628804021055678,1.9833111761079913,1.9334811869853428,1.683664965763161,1.2667662786736713,0.9594077199208263,424.36695742045515,505.37267271669197,21.274862949369727,186.83272404131952,-222.49647727910155,-24.099393473732537,237.53423337913563,727.8691499957936,45.37425642310227,0.6943180277933368,0.826853625819991,0.034808367207403865,0.30568197220666304,-0.36403238422338213,-0.03942965646856239,259.3729491982847,308.8836165839279,13.00318945779769,114.19210142069016,-135.98977603935387,-14.7295416145673,0.08382057482654758,0.26930675164522033,0.015816264257066243,5.268981214467023,546.3248277799029,64.87485368187174,0.893856532243744,0.10614346775625587,1307.1916486042576,36.15510542930635,10.934017253502146,1444.2963398045233,38.00389900792448,11.303651780829261,2716.258704647674,52.11773886737292,13.952661036872724,1.5078256939905412,1.0758875541182558,2583.7922869610775,1847.1348295001867,1102.883387432372,1.3988108749268844,2.342761090069927,1.6748233317762722,6.719576764908472,6.19671129564712,10.53904801175123,0.7007485921047162,4.4762923954243,6.915670237772044,7.978113153958099,17.75618552358674,11.498563148140596,12.537476732572472,12.214160349621396,15.31868692027121,16.061272092856413,5.592337752800246,10.400431388269288,10.110063846262495,6.8694986264111995,9.296796967948811,14.973831297350745,11.912313426918281,3.7476310511375672,6.890708950305456,0.649586479406144,1.1526857831737192,5.919058726599887E-10,7.870459451420649E-41,2.018475354935793E-93,9.9844172370069E-168,9.525721859075178E-264,0.0,0.0,0.0,0.0,0.0,0.37573749867879364,7.299806706480209,3.338423760195262,14.850846874706226,8.339146183960002,6.769578026282924,7.499267946726646,4.706970307614524,8.502832613876059,2.4738899324862893,2.924201274226375,3.302476768610897,3.404476834380888,3.0126082118220467,2.3795084108069475,3.2587310716830014,0.2741210600957761,0.25124130807298034,0.005548526451731718,0.008118460220574329,4.1688414584967995E-12,5.543228944671746E-43,1.4216286966025889E-95,7.03210669789627E-170,6.709043792683118E-266,0.0,0.0,0.0,0.0,0.0,1.2127426146610194,6.585491478439686,4.051207426483079,13.134610751880093,6.02189863100981,5.336539191596795,7.693941000198343,5.60426745872229,8.577255704124875,2.594641601579572,3.533816849098267,3.55789222998384,3.904548057714236,4.158440756450637,4.087666296941276,4.66409123103754,0.8465302114226031,1.0265389128793108,0.050176917122015385,0.08460061486411571,4.3442542191195937E-11,5.776471945546061E-42,1.4814467100085397E-94,7.327997357484175E-169,6.991340901971155E-265,0.0,0.0,0.0,0.0,0.0,4.225262502802411,7.298334916933619,7.786229573959382,18.722624780229374,12.962039868968631,13.875820046516754,12.68731094350207,14.899648382913933,16.19567885462434,5.715335412406988,10.539012626878467,11.09514762439709,7.2636071096667525,9.114704138171769,14.144657201775948,11.254830227827652,3.486657770573413,6.2790751138866785,0.5794401265297914,1.0270222803803397,5.273774761375373E-10,7.012437675064861E-41,1.7984252015410284E-93,8.895936003293451E-168,8.487246679698002E-264,0.0,0.0,0.0,0.0,0.0,1.7873223005896752,6.314045049112839,4.619090744345532,12.742577814206777,5.4279207640622955,5.284114197921811,7.95405362998807,6.606469371104537,9.094283628781273,2.770867309055579,4.192125902066111,3.7719303062222314,4.140612125311847,4.922029796026804,5.453764643011572,5.736021378293227,1.2800329781748643,1.730958331532841,0.10659556768036872,0.18376384037972385,9.43630067196887E-11,1.2547268956192053E-41,3.2179002148665036E-94,1.5917389476030205E-168,1.5186126668389084E-264,0.0,0.0,0.0,0.0,0.0,5.40575760344597,7.158049951006549,9.203332208711215,19.822056129417195,13.883233283897997,15.937708513077792,14.137121919309694,19.142889937939902,18.977799937164946,6.972795485888501,12.874374411592024,13.246624728807154,8.166429414975147,11.02010525006652,19.368527023207736,14.491690944396375,4.768769876786495,9.388269310795136,0.9441857536418292,1.681083883535945,8.632390870296915E-10,1.1478325431738585E-40,2.9437566056852033E-93,1.4561334188938466E-167,1.3892370089138136E-263,0.0,0.0,0.0,0.0,0.0,2.5769673675913225,6.931067884600683,5.956409616463284,17.802750182055878,13.780546797936008,13.220107812040304,10.926814296092813,10.359843307987294,13.12523709630539,4.4727446877580315,7.452532542668891,8.970677284794695,6.0939846146678045,6.896205009752424,8.156823261107784,7.691221382136854,1.8479442617967878,2.800552115534693,0.19466579756962013,0.338828380160659,1.73988879683042E-10,2.313496935567834E-41,5.933245164385222E-94,2.9348882138102717E-168,2.8000561423468175E-264,0.0,0.0,0.0,0.0,0.0,9.869326564360861,5.437310513131779,1.1424781953835854,0.5999913308793506,0.33055337159060666,0.543149534010912,0.4172067721483867,0.321318880818315,16.449115272876227,71.15009219161531,148.90754997290855,0.39998699631902607,1.2816751869776137,6.874468764013241,3.813472874720581,0.7847316178168602,0.5992037435641295,0.3323961895753598,0.2629905289743641,0.20292046758842794,0.16546593479633553,11.472673256550681,34.60276589297419,66.64764947486924,0.39880561534619424,0.6313769313591275,8.134800473527326,4.466815633687376,0.847125547378079,0.6048744694823749,0.3321363253462413,0.36908337801995206,0.2796234667867516,0.19144716783118815,13.448741654592782,47.011804874751995,91.2422543814453,0.40731170422356244,0.8401540126378919,9.547805600921874,5.2698996471579775,1.1412384600906664,0.5982730295635841,0.33021606840181666,0.5080308304603504,0.39100723518069636,0.32112198272626125,15.95894370817052,67.22651248682718,140.60798472376163,0.39740954434537606,1.2201600483673078,8.788617477141496,4.814374757216703,0.8982906833299773,0.6060579279107393,0.33199647124629855,0.4311244928594952,0.32581878681923865,0.212123133723798,14.501282917688176,54.531139322317564,107.04062646855562,0.4090868918661089,0.9690664134025319,10.08304227728879,5.562837713691428,1.194658605665147,0.5987363301609208,0.33032421628127406,0.5668053681551312,0.43709791894657696,0.3462653670748217,16.840538596645366,74.78181302327583,158.63114447912594,0.39810449524138125,1.3501686541765299,9.706220715378215,5.352690597058554,1.1345518611880125,0.5993912859348883,0.3305463778604682,0.5252314184322392,0.4036710285817183,0.31833164609397396,16.19346317362478,69.03951221317027,144.17793246959866,0.39908692890233244,1.2472340931079315 +UMLCN0002,L,2-butylfuran,CCCCC1=CC=CO1,Cyclic Ethers,Aromatics,C8H12O,Marquardt (2015),IQT,PubChem,,13.1,0,-0.4554000000000006,0.20738916000000052,36.9994,22.883515999999982,5,5,21,9,12,0,8,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1422.2737369999986,1539.4618809999997,1850.7059499999987,1212.1771699999981,1008.3966969999998,814.6881599999999,464.0764819999998,103.96915200000001,6.0963840000000005,3977.5309241301607,4946.916712843174,6436.05524309419,5310.9675388885535,4400.698909854465,3487.151798192134,2426.9433256658294,1135.4791419806606,186.50246658558157,154.297412,158.262964,275.01985600000006,321.233936,260.3604280000002,217.63092000000015,154.98164000000008,103.97030399999998,40.310784,28.289758858187984,35.56351172,49.01365161509403,44.580516001584044,37.16115269503704,29.47346255018799,20.985224487093987,12.020644813943003,2.6676774290939997,3418.8179588134885,3031.7177220148005,5704.731620974645,7242.940506869786,5884.779545888939,4960.577346923089,3449.8729315429446,2519.403945872943,1109.505912145494,49.77777777777778,55.166666666666664,83.66666666666666,80.41666666666666,65.91666666666666,57.5,43.5,23.0,6.0,67.72732080952375,73.3077086190476,50.0190797297297,27.549481136363593,28.011019361111106,27.156271999999998,22.098880095238087,6.931276800000001,1.016064,189.4062344823886,235.5674625163416,173.94743900254568,120.70380770201258,122.24163638484623,116.23839327307113,115.56872979361093,75.69860946537737,31.083744430930263,7.34749580952381,7.53633161904762,7.432969081081083,7.300771272727274,7.232234111111116,7.254364000000005,7.380078095238099,6.931353599999999,6.718464,1.3471313741994277,1.6935005580952383,1.3246932868944332,1.0131935454905465,1.0322542415288067,0.982448751672933,0.9992964041473327,0.8013763209295335,0.44461290484899996,162.8008551815947,144.36751057213337,154.18193570201743,164.6122842470406,163.46609849691495,165.35257823076964,164.2796634068069,167.9602630581962,184.917652024249,2.3703703703703702,2.626984126984127,2.261261261261261,1.827651515151515,1.8310185185185182,1.9166666666666667,2.0714285714285716,1.5333333333333334,1.0,0.14425569479717246,-0.04079683814859737,-0.013876777547707575,-0.030273003296723246,0.008701658794273457,0.01607405043739622,-0.02572669479463249,0.003159420460642468,0.010610336696762285,687.9205232380949,24.31692495238137,-58.56853341950081,-103.88497821315207,-54.484755217687194,3.9167829931971525,-228.7936962857143,-70.84418636054447,144.3821799319726,1089.9613432568563,-51.96293531921516,-252.54563510661242,-29.962471922073412,-76.22369748753792,25.38519839417328,-215.85928524575723,-170.81333762748548,227.00149268607973,1.0669798095238086,0.04064380952381123,0.011693478458051597,-0.2607333151927435,-0.08060062585034089,-0.07497839455782351,-0.28552571428571344,0.04441308843537219,0.07159776870748169,4.898261644747238,-0.5334680053333243,-1.5953278024724606,0.24400756564311604,-0.30605278479179165,0.1205575934298469,-0.4313905223557161,-0.8535750284629351,0.9061181619696426,27.109529133547216,-3.41486023626185,-9.482317265886705,1.8786465009002455,-1.6351309001536953,0.6303280483393587,-1.5139846506652432,-4.767776579758177,4.750330516712478,7.867724867724869,1.0132275132275146,1.4050138573948112,-2.4728521038044837,-1.3883219954648518,0.11753590325019014,-2.883597883597883,-0.7467876039304608,1.0219198790627357,0.0068693187998653555,-0.0019427065785046368,-3.750480418299345E-4,-6.880228021982556E-4,2.417127442853738E-4,5.358016812465407E-4,-0.0012250807045063091,2.1062803070949788E-4,0.0017683894494603808,32.758120154195,1.1579488072562558,-1.582933335662184,-2.3610222321170924,-1.5134654227135331,0.13055943310657175,-10.894937918367347,-4.722945757369631,24.063696655328766,51.902921107469346,-2.474425491391198,-6.82555770558412,-0.680965270956214,-2.117324930209387,0.846173279805776,-10.279013583131297,-11.387555841832365,37.83358211434662,0.0508085623582766,0.0019354195011338682,3.1603995832571886E-4,-0.005925757163471443,-0.0022389062736205803,-0.002499279818594117,-0.013596462585033973,0.0029608725623581464,0.011932961451246948,0.2332505545117732,-0.02540323834920592,-0.04311696763439083,0.0055456264918890006,-0.008501466244216434,0.004018586447661563,-0.020542405826462672,-0.056905001897529006,0.15101969366160709,1.2909299587403436,-0.16261239220294524,-0.256278845023965,0.04269651138409649,-0.04542030278204709,0.02101093494464529,-0.07209450717453539,-0.3178517719838785,0.791721752785413,0.3746535651297557,0.04824892920131022,0.03797334749715706,-0.05620118417737463,-0.03856449987402366,0.003917863441673005,-0.13731418493323252,-0.04978584026203072,0.1703199798437893,-0.28280920351850836,-0.05459755948978314,-0.10015881082877409,0.03518729459609759,0.07799924517363248,-0.17834093018514757,0.030662142323868616,0.2574330149730484,0.035348451065131375,-0.04832186121215731,-0.07207441150479876,-0.04620122936204931,0.003985559381674481,-0.3325873971730989,-0.1441763365888629,0.7345872272907935,-0.04767410848163426,-0.13150623433026498,-0.01311997969336289,-0.04079394540868496,0.016302999171351133,-0.19804306508775754,-0.21940105872371762,0.728929727018813,0.03809238859163652,0.006220210603424733,-0.11662910518282261,-0.04406553088105371,-0.049190130611656446,-0.26760179690105207,0.0582750706756777,0.23486123002461015,-0.1089096589818555,-0.1848525836289685,0.023775405393984123,-0.03644778578130809,0.017228625484183906,-0.08807012643318626,-0.24396513018646115,0.6474569545084808,-0.12596530981558307,-0.19852265670093777,0.03307422768758009,-0.03518417283178327,0.016275813263445543,-0.05584695489202479,-0.2462192234612249,0.6132956690833598,0.1287827841291192,0.10135589523619123,-0.15000840618695352,-0.10293375924680558,0.010457296570275828,-0.366509751176866,-0.13288500336247472,0.45460659045057134,1.236242499805943,1.0807950201657262,1.1496350804450954,0.789240233766203,0.9175943794853382,1.4986688068566574,0.31862896225078363,0.212264840077358,1.0276660539158355,1.058325702588611,1.0221888501398673,0.9700815593459446,0.9294467162045067,1.3047259782194331,0.9386046200425051,0.0,1.2103645988540483,1.1627839984011064,0.9217447740429009,0.9692957954192788,0.887759972430919,1.092924699665796,1.1015799282888634,0.0,0.862925241232753,1.0323547004260745,1.2274936202170788,0.9006751708367526,1.0511739053749227,1.615905973317834,0.11854519851672114,0.0,1.320579227740154,1.2363480813513734,0.8788918039836681,0.9579801325706226,0.875622021109217,0.9837392451344676,1.095816551902122,0.0,1.347635821521415,1.2563209163927815,0.8715901291339027,0.9532355095949117,0.8750023634644427,0.9603068584432627,1.0755209921978037,0.0,0.8170813718897106,0.8788327668623566,1.149851745430091,0.979741089441829,0.9885675857431068,1.6492938802958974,0.6778749159381303,0.0,38.38862944726766,19.319314723633838,31.146701987672486,38.58307389171212,4.287008210190235,19.319314741274425,0.25000000000001066,0.3314426591074582,0.03682696212305091,-0.9938704125174934,164.05998032869147,18.22888670318794,4.590208885204314,38.392899845544676,19.321082712321687,31.149164768657435,38.58677307373255,4.287419230414728,19.321082729927223,0.24926557909870084,0.3313640587969038,0.036818228755211534,-0.9940838692550904,160.83374694612792,17.870416327347545,4.572334083414054,42.3139262438853,20.957465882913635,33.491330963139944,42.00359720539572,4.667066356155079,20.957465886014393,-0.3989944780580288,0.25551955451231273,0.02839106161247919,-1.2280107041749906,44.959315013464305,4.995479445940479,3.4251821730033507,38.39738211268452,19.322938456451727,31.15174994308191,38.590655846188135,4.287850649576459,19.322938474020557,0.24849480021893555,0.3312815481788729,0.03680906090876365,-0.9943079997883039,157.673629815308,17.51929220170089,4.55447453632388,46.87990639904602,22.817633394474452,36.31089779737163,46.27863180774651,5.142070200860723,22.81763339497097,-1.082294264339133,0.16497761073274197,0.01833084563697133,-1.6217509561357113,41.812985262713234,4.6458872514125815,3.359886249155689,38.8378710416075,19.505502613742895,31.40683644590126,38.97253096395728,4.3302812182174755,19.50550262807435,0.17313418587829332,0.3231202004693383,0.03590224449659315,-1.0167577985786054,80.4371731416789,8.937463682408767,3.9487287796572406,45.106691206896095,22.568768305893208,37.61981392724284,45.258930334318634,5.028770037146515,22.56876830662556,0.3482142857142776,0.41846888132993315,0.04649654236999257,-0.7840374745066572,40.873199260503746,4.541466584500416,3.3394271161122697,0,11.993842994238635,16.00054074594656,-0.3752623519729982,0.09950887883245788,5.137431356074995,7.4858331924319055,9.0,21.0,19.0,16.0,4.0,2.0,0.0,0.0,0.0,5.0,15.034483999999997,3.804058922821939,3.2934070237640647,2.7159270356277,2.1844698604189965,2.117748772577272,1.6193495024608997,1.2101363785137118,0.6234773456765664,1.8523677598419206,1.587188632837914,1.4572486228221357,1.1251884301522173,0.8082356877061976,0.5711159239933653,0.2780957035100982,0.030356386074552856,3.7285803697968967,3.317139908011118,2.758651987281516,2.1834795498721826,2.0273632833980826,1.6413938629306002,1.312161910605034,0.7312321296627355,1.8043763123274161,1.5331539977149364,1.4795099379135854,1.0984568272980224,0.6954597532084563,0.4198180810761723,0.12092131838871181,0.06288964403654772,3.8588683093245844,3.46601348085872,2.952151033046988,2.4057480602765122,2.335433730869664,1.9994331555705227,1.774640737156485,1.2901226807602808,1.630724832499046,1.3815648787535328,1.2303567543699043,0.7802409718088538,0.26781352643364625,0.09947194587482096,0.4377616426333034,0.6091479573401366,3.7137763270550423,3.337495849944108,2.7905089916781995,2.2182059413652935,2.0176079737335844,1.6655816358447726,1.3854002864209225,0.8162089135531411,1.7796626196505034,1.5058860182744445,1.4913899783633942,1.0605559797887654,0.6154403084696438,0.3175372193843512,0.01724803224724416,0.11811447610425452,3.866045610529646,3.531103355334501,3.0463422380841934,2.5208607370023235,2.394780689473461,2.1237634870085906,1.9533067317593908,1.4966079195374378,1.5880355665982606,1.3379266933599996,1.2019012910299915,0.698249947441008,0.12498494235921041,0.2880570919349342,0.6337154042455427,0.7594150098082719,4.003410110384466,3.335707824230024,2.826517716600176,2.5257124414274963,2.277163926073966,1.8440474898091233,1.4875003683159103,1.0377837490688884,1.776089248860004,1.4112923077536115,1.2248436134693352,0.8607017110333826,0.4968524943593952,0.21395089047977353,0.15424371183661373,0.4210546929147378,0,0,1,3,0,1,3,0,0,0.0,0.0,0.14433756729740646,0.10206207261596577,0.07216878364870323,0.0,0.0,0.039283710065919304,0.027777777777777776,0.019641855032959652,0.20412414523193154,0.0,0.0,0.0,0.08333333333333333,0.0,0.0,0.0,0.4330127018922194,0.6123724356957946,0.39073720721077865,0.15515060996381658,0.1930413817439772,0.12906289916505478,6.52709773749546,4.431851652578137,3.2927109793486995,2.4406706976806576,1.791837385503403,0.9010475702906074,0.49279927982674443,0.24639963991337224,0.72523308194394,0.49242796139757083,0.32927109793486997,0.22187915433460523,0.1493197821252836,0.11263094628632593,0.0821332133044574,0.06159990997834306,5.761619441592384,3.4558283786687483,2.1829168834026236,1.3568307995630817,0.8058389044995606,0.41251185689022757,0.19795289391968793,0.08585472986600076,0.6401799379547093,0.38398093096319424,0.21829168834026236,0.12334825450573471,0.06715324204163005,0.051563982111278446,0.03299214898661466,0.02146368246650019,11.965765927132102,20.657683903860157,19.70196078431373,19.96,13.271566467065863,159.80944071856288,0.5697983774824811,0.9836992335171504,0.9381886087768443,0.9504761904761905,0.631979355574565,7.609973367550613,2.6222000000000003,37.32,34.484946128795166,51.837294267610396,68.96989225759032,7.663321361954481,34.484946128795166,0.14713664663089276,0.016348516292321418,-1.7247541995606506,45.42740456760696,5.047489396400774,3.434503992998641,86,0.0,0.0,1.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,4.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,3.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.135555555555555,6.794351851851852,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5684764739229025,0.0,1.292981859410431,0.0,0.0,1.5684764739229025,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.183472222222222,0.0,3.5532870370370366,0.0,0.0,5.686157407407408,0.0,0.0,0.0,0.0,1.1081944444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.135555555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.135555555555555,1.1081944444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4729861111111111,0.0,0.2549263038548753,0.0,0.0,0.4729861111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.183472222222222,0.0,1.0868055555555556,0.0,0.0,1.727175925925926,0.0,0.0,0.0,0.0,1.1081944444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.135555555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.135555555555555,2.0234722222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.599828514739229,0.0,0.4326388888888889,0.0,0.0,0.599828514739229,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.183472222222222,0.0,1.2368055555555555,0.0,0.0,2.0234722222222223,0.0,0.0,0.0,0.0,1.1081944444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.135555555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.666666666666664,1.9629629629629628,0.599828514739229,5.135555555555555,0.21694444444444438,1.0868055555555556,4.577744305555556,0.5584722222222221,1.6355555555555557,3.6849999999999996,0.5584722222222221,1.6355555555555557,3.6849999999999996,4.33333,0.48148,0.0,0.01852,0.50794,0.78519,0.43333,0.47467,0.78519,0.0746,0.03327,-0.04133,0.0,0.61321,0.10108,0.0,0.11538,0.11538,0.0,10.0,1.11111,5.0,0.55556,5.0,0.55556,0.0,0.0,0.0,0.0,5.44214,0.60468,9.2991,3.85696,0.42855,2.67491,0.29721,4.43185,1.75694,0.19522,-0.01785,-0.00198,0.06815,0.00757,0.23809523809523808,9.01,0,1,1,1,0,0,0.5,1.2009102795095283,2.616878731581414,3.5944656369614516,3.8801799226757376,3.8801799226757376,3.880179922675737,25.219115869700094,54.954453363209694,75.48377837619049,81.48377837619049,81.48377837619049,81.48377837619049,0.27341154199866163,0.5957854316289074,0.8183528854996652,0.883401527984509,0.883401527984509,0.8834015279845089,3.1914071432692324,1.7754386911973468,0.7978517858173091,0.5121375001030231,0.5121375001030231,0.5121375001030235,0.26367040332678654,0.5745587179877966,0.7891965123564262,0.8519275941332249,0.8519275941332249,0.8519275941332248,10.175299273806782,22.071085789089025,25.150069956238823,25.438019965381685,25.438019965381685,25.43801996538168,32.6689304050271,20.36501782138436,16.240185978266574,15.481939586467163,15.481939586467165,15.481939586467163,7.111111111111111,3.92,2.3801652892561984,4,5,4,2.23,1.099900000000001,0.0,1.8731847975721563,0.25,0.0,6.409925916482373,3.5327755290014426,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.15799999999999997,0.16,0.45300000000000007,0.403,4.036,10.0,11.0,12.0,8.0,6.0,4.0,2.0,0.0,0.0,71.0,2.5257286443082556,2.9041650800285006,3.3096301881366648,3.727198318416073,3.2337644373619514,3.107944264160919,2.883403088580071,2.409194828052304,0.0,0.0,5.184238399850329,2.499119718309859,0.5,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.3333333333333333,4.0,0.4444444444444444,0,3.0,6.0,1.0,1.0,0.44444444444444464,0.2222222222222222,0.125,0.08000000000000002,0.05555555555555554,0.0,0.0,0.0,0.0,0.1111111111111111,0.04444444444444447,0.037037037037037035,0.025,0.020000000000000004,0.02777777777777777,0.0,0.0,0.0,0.0,0.26537037037037037,22.78262294485209,35.72395513004864,45.56524588970417,5.062805098856019,22.782622945326956,0.17164327252514577,0.019071474725016198,-1.5861032575429974,41.71026418036488,4.63447379781832,3.3576725177374156,13.14,127.18518630589459,4.169925001442312,3.6635616461296463,4.394449154672439,5.153291594497779,5.910796644040527,6.680854678790215,7.44716835960004,8.220672170297252,8.990566138131577,9.765316843477462,78.22667722963693,2.9444389791664403,0.0,4.07753744390572,2.3978952727983707,5.37989735354046,4.442651256490317,6.7650389767805414,6.259581464064923,8.19946419761216,8.598220030058611,124.088815004,5.908991190666667,17.59254001617014,1.9547266684633489,2.987216623806632,2.987216623806632,0.0,99.0,6.0,2.336,38.0,1.3186467742236223,2.269302784806949,3.026072341197676,3.8065948440278436,5.013239048168085,6.143431889180552,7.303282493540121,8.487011820614688,0.0,0.0,114.52483554225336,125.57867373252652,95.87363492098945,127.65124088913538,154.2803069280667,151.99721232328721,53.28912500735369,8.623347178501042,0.0,0.0,342.1465873641182,419.37703437145984,398.3942634915371,526.7255912351206,631.7892547778927,761.2148177985823,572.9718322074152,263.8081064142711,0.0,0.0,10.097554398464966,17.054928574695936,22.24547375487271,27.639391485062095,36.47769075825507,45.32147543954958,50.71765710499123,57.01968338437425,0.0,0.0,2.3692887433188514,3.1229691612734993,3.2524588250317596,4.319123902334528,5.220903535182512,6.480936693791763,6.013595538635223,3.7734349790512964,0.0,0.0,188.3953450323646,347.1522398759674,493.9287937124551,609.8635704386348,820.6782991697987,998.5307653447945,1219.0126306577326,1569.3982985701148,0.0,0.0,3.8011516018342126,5.444941739065599,5.769329847661392,7.298688946782022,9.91123978428264,12.996987595910614,11.438926108037515,8.487011820614688,0.0,0.0,0.523201864913211,0.7050664550370542,0.7319468160471239,0.9565146893900083,1.1769423882181087,1.4536720572170607,1.31692068869335,0.869070010430944,0.0,0.0,320.04824623798027,181.10613442086586,13.445588869888558,76.02587953717261,-43.02086738724267,-10.526869630832572,244.02236670080765,224.12700180810853,23.97245850072113,0.8080513858652516,0.45725313176270926,0.03394715280523393,0.19194861413474837,-0.10861822216497212,-0.026578029075316485,126.7628293345789,71.73145386326176,5.325449857173236,30.11188377397273,-17.039452440490923,-4.1694206861810175,0.1582988980559729,0.5687513801195523,4.8571295629910045,15.01498384515163,369.6742182408706,26.39990753428231,0.9333460435401699,0.06665395645983009,580.12434449085,24.085770581213506,8.340146836733922,697.0057143531185,26.400865787945637,8.866361740937077,956.2748675447016,30.923694273884898,9.852072081775544,2.7007149726315016,2.7007149726315016,833.5838238023731,778.0163712700981,111.01492608575711,1.0714219579230218,7.50875448188331,7.008214108696464,4.589937914771083,5.074838783031655,9.255764935278462,0.8238539845297638,3.5918144403936125,4.656866097297026,3.763239092785563,14.677717617297787,6.972633698712611,5.193134442776204,3.338624097944129,9.73117106744862,5.694450266733781,3.190440134844935,3.3649809612523667,2.443232204333044,0.8982845194919891,2.6314914995730927,2.1628997551280817,0.9597257952516556,1.0013786712321031,0.0025668477813047034,8.811380888901215E-25,5.833963968677271E-68,7.450053903938508E-133,1.8349785519496462E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.30146616123860803,4.836303578913942,1.2226989341625072,7.156590814433871,2.3596183913736213,0.831279022694856,1.2198300521849978,1.363264063207139,2.0418938170054934,0.6367170863720774,0.7631174334506209,0.28121313751153243,0.13857003422577246,0.49887433461350855,0.16364120212145006,0.07974703513331283,0.007052791859604068,1.8078518802769972E-5,6.205927606560279E-27,4.108908524712187E-70,5.247133880122125E-135,1.2923903978926025E-221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9730963822841318,4.5024002676339965,1.619744239830927,7.008567769908917,1.8069775845103648,1.4146958896326185,1.596699204901132,1.9835305600518078,2.5532527835333334,0.8150720369514786,1.0618137109739847,0.6972108022011149,0.2935015031673334,0.6999663726379657,0.5400327454045631,0.25795772389129606,0.0734955289073663,1.8839210453612567E-4,6.467055045569311E-26,4.2817994812625436E-69,5.467918059235882E-134,1.3467704384275277E-220,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.390381682392013,4.835731480858925,3.642231600957745,14.321750646238494,7.071856085205257,5.298761500966422,3.371218425910725,9.429857085230338,5.98128925083448,3.0949621890327568,3.225174927082918,2.3026497232026535,0.8517249475659333,2.418074718499471,2.0292922576126116,0.9053547004495013,0.8922103677044462,0.0022870151607894637,7.8507817359409915E-25,5.197956864073411E-68,6.637863901047399E-133,1.634932853672856E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4341494771717525,4.375521874859312,1.9323830181051633,7.438398239505313,1.8975152454858712,1.7843137145168426,1.8257833338258713,2.6885930774933344,2.8233993894380585,1.048711511570137,1.3100801295421896,0.9901118374315987,0.3998993970805938,0.9075546944973363,0.807826052063901,0.38071294869569305,0.1596421097462223,4.092128252540768E-4,1.4047307729733347E-25,9.300640635727354E-69,1.1877048684111058E-133,2.925365356656545E-220,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.337629304722268,4.770228071792937,4.446388109303076,18.37650600784148,9.498509578863889,6.83105200922307,3.9609406214098177,13.095364952087643,7.075976327986162,4.119502354154804,4.37867828486843,2.9768093638987705,1.0707308779737224,3.5157585039132297,2.670321200892191,1.1616045469478626,1.460416680849126,0.0037435062526411126,1.285057091902735E-24,8.508288163205973E-68,1.0865203451110477E-132,2.6761437638480692E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.024003063167011,4.4084584588062485,2.8727802210890827,10.308121875126718,5.521643492295253,3.5454896860163747,2.5327780579058885,5.402482131529905,4.838559904647291,2.070985511537099,1.9050751993143054,1.531944672443956,0.6139641973351222,1.3476918516919902,1.3053177079522078,0.6087969964671456,0.3193323818023354,8.185491056229809E-4,2.8098853381354185E-25,1.860408717485458E-68,2.3757680546262037E-133,5.8516132646255845E-220,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.483324201567696,1.0070908463743191,0.5925736647228547,0.8238834637252516,0.1108765934025748,0.536591314328165,0.48962793025490825,0.3785536320259291,9.08298871266487,12.567583663827309,26.116437019905508,0.7358251955878773,1.4047728766090022,6.457495272782113,0.6967981025979388,0.22349391451293102,0.8752617850108527,0.09444540418676751,0.3986949964437804,0.2207067625579973,0.051048921990969935,7.377787289892982,6.098511485647354,14.4819253898443,0.8128926775162789,0.6704506809927476,6.9664937118989565,0.7409797892727213,0.3655889198171901,0.8629307378804626,0.09178422643509784,0.4640880483763672,0.26475986162378107,0.14036870448924862,8.073062420988867,7.979797954425598,17.940041728346017,0.7943961068206938,0.8692166144893969,7.384915047517022,1.0184148991692694,0.5741777741807387,0.822601915490617,0.11344071548967857,0.5220088864934859,0.5013439399431157,0.3525026393224179,8.97750772086703,12.34591279798535,25.641758454767647,0.7339028732359255,1.3758554657590194,7.192441746786238,0.7812596202488933,0.43507643076145114,0.8553492457216468,0.09291000892586468,0.495370496501394,0.29502509501493407,0.20203167046720497,8.408777797796583,9.088333838483852,19.941877587161276,0.7830238685824702,0.992427261983533,7.534174242315261,1.0524764860918443,0.6223892735456095,0.8181280829182728,0.11428731831642318,0.5439488921948362,0.5346150636435746,0.41811318404837045,9.209040001952715,13.273780541198827,27.418081950182852,0.7271921243774091,1.4966771398867813,7.459013159844806,1.0072618279414876,0.5788673125260941,0.8246429864997478,0.11135942304707579,0.532831317514063,0.49018559290403513,0.3598043345761902,9.045142300312389,12.414029079311632,25.8083052490354,0.7369644797496218,1.3828212449942883 +UMLCN0003,L,tetrahydropyran,C1CCOCC1,Cyclic Ethers,,C5H10O,Marquardt (2015),IQT,PubChem,,38.2,0,-0.9949000000000002,0.9898260100000005,19.7783,16.269930000000002,0,0,16,6,10,0,5,0,1,0,0,0.0,0.0,0.0,0.0,0.0,987.4492460000001,1082.4553419999997,1224.6861579999988,755.170631,145.367712,8.128512,0.0,0.0,0.0,2644.8127300203096,3446.8927748541482,4618.785717733776,3810.9436008995335,1579.260103109966,248.6699554474421,0.0,0.0,0.0,118.23893599999997,121.406152,235.58893600000013,284.37712400000015,183.37881600000009,53.74771199999999,0.0,0.0,0.0,19.033833048489992,24.969723100000003,36.01312542824502,33.986727381584,17.091696929584003,3.5569032387919997,0.0,0.0,0.0,2668.5995864949905,2345.089558319001,4929.150211502246,6556.312343173985,4554.031367483484,1479.341216193992,0.0,0.0,0.0,33.5,34.5,62.5,63.75,35.0,8.0,0.0,0.0,0.0,61.71557787500001,67.65345887499998,39.50600509677415,19.363349512820513,5.591065846153847,1.016064,0.0,0.0,0.0,165.30079562626935,215.43079842838426,148.9930876688315,97.71650258716753,60.74077319653715,31.083744430930263,0.0,0.0,0.0,7.389933499999998,7.5878845,7.599643096774198,7.291721128205132,7.053031384615388,6.718463999999999,0.0,0.0,0.0,1.1896145655306245,1.5606076937500002,1.1617137234917747,0.8714545482457435,0.657372958830154,0.44461290484899996,0.0,0.0,0.0,166.7874741559369,146.56809739493755,159.0048455323305,168.11057290189706,175.1550525955186,184.917652024249,0.0,0.0,0.0,2.09375,2.15625,2.0161290322580645,1.6346153846153846,1.3461538461538463,1.0,0.0,0.0,0.0,0.17088783009852856,-0.031153571997376006,-0.06610963306812889,-0.007703318293234054,0.006514051465902013,0.0130085568435727,0.0,0.0,0.0,523.75762375,26.430968500000237,-237.62892889062476,-185.25316651562508,-18.578936093750258,153.15125112499982,0.0,0.0,0.0,766.4429153884305,-57.19330086541288,-307.92006660000476,-231.275775061162,-8.153021143653959,221.32070597601802,0.0,0.0,0.0,1.0366599999999992,0.03586600000000118,-0.35967424999999725,-0.25600825000000005,-0.043395500000002155,0.10488199999999846,0.0,0.0,0.0,3.391946473183749,-0.591328797500001,-1.1485581630178916,-0.8093635156995165,0.024049297670406894,0.8292279419551256,0.0,0.0,0.0,18.82152525496499,-3.7929094778124712,-5.987636718469037,-4.105484192972565,0.21855645090710318,4.256711310864482,0.0,0.0,0.0,5.9375,0.375,-2.22265625,-1.62890625,-0.2734375,0.78125,0.0,0.0,0.0,0.010680489381158035,-0.0019470982498360004,-0.002132568808649319,-1.9752098187779627E-4,2.505404409962313E-4,0.0016260696054465876,0.0,0.0,0.0,32.734851484375,1.6519355312500148,-7.665449319052412,-4.750081192708335,-0.7145744651442407,19.143906390624977,0.0,0.0,0.0,47.902682211776906,-3.574581304088305,-9.932905374193702,-5.930148078491333,-0.313577736294383,27.665088247002252,0.0,0.0,0.0,0.06479124999999995,0.002241625000000074,-0.011602395161290234,-0.006564314102564104,-0.0016690576923077752,0.013110249999999808,0.0,0.0,0.0,0.2119966545739843,-0.03695804984375006,-0.03705026332315779,-0.02075291065896196,9.24972987323342E-4,0.1036534927443907,0.0,0.0,0.0,1.1763453284353118,-0.23705684236327945,-0.19314957156351734,-0.10526882546083499,0.008406017342580892,0.5320889138580602,0.0,0.0,0.0,0.37109375,0.0234375,-0.07169858870967742,-0.04176682692307692,-0.010516826923076924,0.09765625,0.0,0.0,0.0,-0.18230421662802923,-0.19966957810112018,-0.0184936265398337,0.023457767903240626,0.15224673209405695,0.0,0.0,0.0,0.05046412176449057,-0.23416783554711665,-0.14510776671693912,-0.021829164720216353,0.5848172673018769,0.0,0.0,0.0,-0.07462173596637334,-0.20735593322896834,-0.12379574179738526,-0.006546141506399609,0.57752691435305,0.0,0.0,0.0,0.03459765014566127,-0.1790734884925085,-0.101314824186354,-0.025760541621095076,0.20234599579418236,0.0,0.0,0.0,-0.17433317482305902,-0.17476815092960674,-0.09789263279020019,0.004363148980733266,0.48893928516318574,0.0,0.0,0.0,-0.20151977198616927,-0.16419461776622238,-0.08948802950648502,0.007145875568496505,0.45232373606295173,0.0,0.0,0.0,0.06315789473684211,-0.1932088285229202,-0.11255060728744938,-0.028340080971659923,0.2631578947368421,0.0,0.0,0.0,1.107520364623573,1.5521205061768935,0.9660572033919924,0.6239727763690665,0.03305191958195918,0.0,0.0,0.0,1.1119781856683666,1.324694593680643,1.0471228567596946,0.7809625081376204,0.0,0.0,0.0,0.0,1.418997241754255,1.2641320864689085,0.9961794460469721,0.7406519636755324,0.0,0.0,0.0,0.0,0.8528386838500575,1.5262477572203046,1.0602274464292878,0.6804626989933649,0.0,0.0,0.0,0.0,1.5990667535913856,1.261248430808288,0.9598151444231977,0.6878246136529323,0.0,0.0,0.0,0.0,1.6384273487646086,1.2672961333919697,0.9505393891306503,0.6703056195584547,0.0,0.0,0.0,0.0,0.8289473684210527,1.507640067911715,1.0688259109311742,0.7044534412955465,0.0,0.0,0.0,0.0,17.611434236173498,8.466053250450324,12.363150142817178,17.611434236173498,2.9352390393622496,8.46687998643425,0.25,0.05781498332680124,0.009635830554466873,-1.7103043858740352,15.766408853803885,2.6277348089673143,1.6547289929573346,17.612239949600166,8.467597664806316,12.364811911148186,17.612239949600166,2.9353733249333605,8.46842272013159,0.2492655790986973,0.05764012260762208,0.009606687101270347,-1.7121218284354203,15.76828788328781,2.628047980547968,1.6548004962732592,20.16164662593138,9.881326073936677,14.31973139670471,19.895650307226028,3.315941717871005,9.88147755002978,-0.39899447805802524,5.773159728050814E-15,9.62193288008469E-16,-19.67133411065741,4000004.039218582,666667.3398697637,9.121083557332982,17.61308772053639,8.46921870007943,12.366557252826855,17.61308772053639,2.935514620089398,8.47004199545905,0.24849480021894443,0.057456626356960194,0.009576104392826698,-1.7140349640307702,15.770265435566946,2.628377572594491,1.6548757395069638,23.98983353823066,11.45376963694576,17.080529356401016,23.26830402867123,3.878050671445205,11.453799921725688,-1.08229426433914,0.17326454725913518,0.028877424543189197,-1.0517614065440697,33.043152280622216,5.50719204677037,2.098688611266522,17.70666324611556,8.628502819189485,12.543709291790929,17.70666324611556,2.95111054101926,8.62917194989488,0.17313418587829865,0.039635940334031394,0.006605990055671899,-1.936811392880699,15.991581180187259,2.66526353003121,1.6632374445133138,17.451869298378117,7.80626801535362,11.746869570245188,17.451869298378117,2.9086448830630194,7.808333911073702,0.5714285714285765,0.13524116032905026,0.022540193388175044,-1.200417432841316,15.369211080360621,2.5615351800601034,1.6394197366166874,0,11.899999999999999,15.994915885592615,-0.3806333199176811,0.11595254087162733,5.3797418455361825,6.357017276586242,6.0,16.0,16.0,16.0,6.0,0.0,0.0,0.0,0.0,0.0,12.848069999999998,3.5418320399415877,2.7501294719455,2.638600807713397,1.4567974870365543,1.2767606746557898,0.703855583436512,0.0839230705186915,0.08392307051869138,1.8856719159004494,1.3728744165178632,1.142970564941828,0.6662064014268071,0.5486084399079245,0.08392307051869094,0.08392307051869127,0.08392307051869131,3.5147858902191587,2.792995693681244,2.544949708042497,1.5561429069408645,1.34234507219371,0.49768780266788176,0.27091390189293735,0.2709139018929372,1.8580493960067848,1.2852290050479285,1.1122883761300069,0.5220817917883056,0.40188989089078997,0.27091390189293674,0.27091390189293696,0.2709139018929371,3.6763907441509285,2.981537655322025,2.8339086947497734,1.962846700475498,1.8084865776502002,1.1351052676603985,0.9439184268026226,0.9439184268026224,1.6543317187816773,1.0189282736728764,0.7645787570730308,0.03761922851939981,0.12743725427996624,0.9439184268026217,0.9439184268026221,0.9439184268026221,3.521439310236115,2.8246242639791515,2.53821886112839,1.627873750349144,1.414363535037764,0.43997955595533944,0.39927724550898225,0.39927724550898214,1.840606975200612,1.2285965048401601,1.0916816390319768,0.42534701847017153,0.30364139063998735,0.39927724550898164,0.3992772455089818,0.39927724550898197,3.7208045877179012,3.072480534273649,2.8955771562738546,2.141548493917959,1.9957710077709112,1.2085154084831042,1.207644822962088,1.2076448229620877,1.6073773000448126,0.9339036709558723,0.6950822741223407,0.13516428868843952,0.31411195600285835,1.2076448229620869,1.2076448229620875,1.2076448229620877,3.803282080639117,3.0132833734571944,2.8968052532744784,1.7862996478468913,1.7156695124160175,1.3486888932943555,0.666666666666667,0.6666666666666667,1.6862321601398094,1.119632981180226,0.7885303267083589,0.23013858660780998,0.0728280396251857,0.6666666666666662,0.6666666666666666,0.6666666666666666,0,0,0,0,0,2,3,0,0,0.0,0.0,0.0,0.125,0.0,0.0,0.0,0.0,0.07216878364870323,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.242640687119285,3.0,2.1213203435596424,1.5,1.0606601717798212,0.75,0.0,0.0,0.7071067811865475,0.5,0.35355339059327373,0.25,0.17677669529663687,0.125,0.0,0.0,3.9437821963966004,2.5773502691896257,1.6730326074756159,1.0773502691896257,0.6870870583764658,0.43301270189221935,0.0,0.0,0.6572970327327667,0.429558378198271,0.27883876791260265,0.17955837819827095,0.11451450972941096,0.07216878364870323,0.0,0.0,8.423938123346227,15.769847050254914,14.9764705882353,15.200000000000006,9.473011976047902,123.29579640718565,0.5264961327091392,0.9856154406409321,0.9360294117647062,0.9500000000000004,0.5920632485029939,7.705987275449103,1.1869,24.66999999999999,20.999999999999993,26.999999999999993,41.999999999999986,6.999999999999998,21.000000000972356,1.1102230246251565E-16,1.850371707708594E-17,-22.042080341806265,4000004.0,666667.3333333334,9.1210835514502,36,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.069444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.784722222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.930555555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.069444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.069444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.069444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.069444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.069444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.0,1.8333333333333333,0.45,5.069444444444445,0.21527777777777768,1.0,2.858527777777778,0.5,1.5694444444444446,3.1388888888888893,0.5,1.5694444444444446,3.1388888888888893,2.83333,0.47222,0.0,0.02778,0.49792,0.82778,0.43333,0.49792,0.82778,0.06458,0.0,-0.06458,0.0,0.57047,0.14382,0.0,0.0,0.0,0.0,3.5,0.58333,3.5,0.58333,0.0,0.0,-3.5,-0.58333,0.0,0.0,4.13051,0.68842,5.0,0.86949,0.14492,2.49071,0.41512,3.0,0.50929,0.08488,-0.086,-0.01433,-0.0,-0.0,0.375,6.01,1,1,1,1,0,0,1.0,1.198192411043098,1.5016144718101816,2.2806390622295662,2.625,2.625,2.625,19.171078576689567,24.025831548962906,36.49022499567306,42.0,42.0,42.0,0.2995481027607745,0.3754036179525454,0.5701597655573916,0.65625,0.65625,0.65625,2.801807588956902,2.4983855281898184,1.7193609377704338,1.375,1.375,1.375,0.2995481027607745,0.3754036179525454,0.5701597655573916,0.65625,0.65625,0.65625,10.71860944884017,14.359674178045177,17.037432500871958,17.384488073999997,17.384488073999997,17.384488073999997,21.96987351738496,18.888700967020085,17.683834373377397,17.25,17.25,17.25,4.166666666666667,2.2222222222222223,1.3333333333333333,0,0,0,1.8999999999999997,0.7632000000000003,0.0,0.0,0.0,0.0,6.083643418932058,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.402,0.394,0.462,0.261,2.984,6.0,6.0,6.0,6.0,0.0,0.0,0.0,0.0,0.0,36.0,1.9459101490553132,1.9459101490553132,1.9459101490553132,1.9459101490553132,1.9459101490553132,0.0,0.0,0.0,0.0,0.0,3.6109179126442243,1.0,0.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0,3.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,13.000000000000002,18.0,3.0,9.00042006176254,7.216449660063518E-16,1.2027416100105862E-16,-20.91899903566531,22.42419282679312,3.7373654711321866,1.8660842477706872,9.23,91.47014982989454,3.584962500721156,3.2188758248682006,3.8918202981106265,4.574710978503383,5.262690188904886,5.953243334287785,6.645090969505644,7.337587743538596,8.030409562130485,8.723394022000136,65.63782292184975,2.5649493574615367,0.0,3.6109179126442243,0.0,4.890349128221754,0.0,6.248042874508429,0.0,7.627057417018934,7.9211727215870145,86.07316494,5.37957280875,11.8125,1.96875,2.9375,2.9375,0.0,27.0,3.0,0.8839999999999999,24.0,1.2858811893530369,2.2223014521252757,3.0015908429342715,3.8424097292143458,4.381453487854612,0.0,0.0,0.0,0.0,0.0,102.70728289711603,100.54824928177081,60.64032659149929,21.07017027087159,4.45183715668351,0.0,0.0,0.0,0.0,0.0,306.76803099880465,358.9799366927553,306.6147308437079,230.1583810502141,136.19198045248078,0.0,0.0,0.0,0.0,0.0,9.877419891918066,16.990533388064765,22.030006657418834,27.089892402684658,29.436637525825656,0.0,0.0,0.0,0.0,0.0,2.144404341393662,2.730191075756922,2.708739411172952,2.4994556250117017,1.948050762695822,0.0,0.0,0.0,0.0,0.0,186.41880325164698,349.4930777793036,500.3474223919117,674.2827222930941,810.2080914275313,0.0,0.0,0.0,0.0,0.0,2.943488330146488,4.632666747847998,5.0585958819942345,5.157248404606251,4.381453487854612,0.0,0.0,0.0,0.0,0.0,0.48323981039827424,0.6343762330921836,0.6304231032124663,0.5811283687197314,0.44866083715631233,0.0,0.0,0.0,0.0,0.0,257.296438329004,125.67535191927537,10.41013292348079,34.45388753807361,-16.828854956001287,-9.81470027913971,222.84255079093037,142.50420687527665,20.224833202620502,0.8819062585939632,0.4307633643450786,0.035681649686395485,0.11809374140603672,-0.05768238614982239,-0.03364075172828194,75.06631972692536,36.66582487590825,3.037159672745114,10.051932916620618,-4.90982391738316,-2.863442004726708,0.11529700224406221,0.7792494905273062,2.6092697834424876,19.373738894345397,266.8882770241127,24.862048842964896,0.9147831325669465,0.08521686743305344,403.80609855860706,20.094927184705274,7.391358908961148,500.6764593764836,22.375800753860936,7.940583021271725,594.3903508249679,24.380122042864507,8.407958966473418,1.2218307924073815,1.0210067250079744,222.04104662368445,136.5562368562989,111.27999563464617,1.6260044340365285,1.9953365863949917,1.2271409257117474,3.309123658123753,3.7810955392286383,4.928936118498951,0.30357354564610606,2.7890066504481537,2.2303533388800907,9.808444067722283,9.694235037133822,6.509657768247916,7.376584608112934,4.9664731802395155,0.7799254232437641,0.6284766917841202,6.871488931002369E-15,1.5090356796819652E-50,6.391813734585199E-108,5.221852709251813E-187,8.22812781944004E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.23406302423619682,2.8151164042212313,0.769077963689161,2.912956979832053,2.5272468928920913,0.46192191732213683,0.2778485215213675,0.005493187301786321,0.004426412727811515,4.839645839030199E-17,1.0628261678732833E-52,4.501806676115662E-110,3.6777935597536654E-189,5.795137700753416E-290,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7555814878023347,1.727685788272619,2.260353315650763,3.857525779373591,2.9355504587620462,1.5441028524401488,0.9029647790633305,0.05724239289849239,0.046126633405947755,5.043284102924986E-16,1.1075468112522286E-51,4.691229647631665E-109,3.832544448637251E-188,6.038980291650345E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.632594832430793,2.812897129057147,9.370018602697796,9.335585243649243,6.557528189395035,6.954228352567116,4.760571333967208,0.6948995855877942,0.5599614175728436,6.122372926380356E-15,1.3445236226086936E-50,5.694990962225426E-108,4.652576752096379E-187,7.331113751672488E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1135875635518333,1.3144535094356964,3.3282479781573935,4.647398683097153,3.253844833227755,2.354973420464028,1.380302164180444,0.12433785881308237,0.10019321150418709,1.0954686988600211E-15,2.4057396717852328E-51,1.018997766785349E-108,8.324798672430238E-188,1.3117472162035585E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.3681292108727963,2.5993495398702704,12.524828638345346,11.70832250920344,8.073286699195172,9.537664127056354,6.648463735723653,1.1374475763889793,0.9165741897391351,1.0021420812529278E-14,2.200786717269457E-50,9.321859619184262E-108,7.615581418512873E-187,1.1999951132259076E-287,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8593381390186154,4.5793232226708405,6.724176693822646,7.438549204326025,5.860189729505404,4.738169153842671,3.3737693039600454,0.346633835856844,0.27932297412627566,3.0539950804454966E-15,6.706825243030956E-51,2.840806104260088E-108,2.320823426334139E-187,3.656945697528907E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.147446554692206,1.561672567535044,0.5415455808344394,0.5052025282411555,0.36739490800349295,0.5997940189258568,0.6599855861462187,0.516806676844662,4.250664703061689,5.362265444141144,11.42906194237665,0.3088961543669727,1.7765862819167375,1.5052372733537949,1.1520775486144257,0.15747334353734085,0.5347604099662117,0.40929458306412275,0.3220213928825821,0.21666091185542044,0.03400580418670195,2.8147881655055613,2.1526063178151715,5.24047689271924,0.4160824895455016,0.5726881089247045,1.7222622511670191,1.3143391788554275,0.3068100179630109,0.5151212400749399,0.393113201681286,0.3715194557316233,0.430094783435649,0.15662399456215456,3.3434114479854573,3.1952964922642515,7.233214373090951,0.36235166263433877,0.9582382337294268,2.09365511929663,1.5680376660744675,0.5292083242518268,0.4995715872391478,0.37415286714211005,0.5598464671173214,0.6435789774792681,0.48558158702184373,4.190901109622924,5.2207283896979915,11.148983429206405,0.31058668157188674,1.6890070316184334,1.8824820696463211,1.3584267743457439,0.37524811796734137,0.5205753205542004,0.3756548149419055,0.4611238157214982,0.49846828159163553,0.24580248225076481,3.616156961959406,3.7733589898450863,8.34910570966806,0.3443452032441588,1.2053945795638985,2.1921800437304393,1.59934527229496,0.571125212967167,0.5024881156906837,0.3665994472090535,0.624296942972355,0.691198399957515,0.5751314552083991,4.362650528992567,5.6714884925450475,12.036534167306316,0.303631344349606,1.8906267981382694,2.1152065948642496,1.5628821163489777,0.53316217531446,0.5022751319877562,0.3711206381336317,0.5764849277998281,0.6504509136618748,0.49705825201869624,4.211250886527687,5.2668363377667555,11.240624638670646,0.31009365518208193,1.7239940934803992 +UMLCN0004,L,"2,5-dimethylfuran",CC1=CC=C(C)O1,Cyclic Ethers,Aromatics,C6H8O,Marquardt (2015),IQT,PubChem,,10.9,0,0.7669000000000002,0.5881356100000004,32.3767,16.696344,5,5,15,7,8,0,6,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1129.681238999999,1202.5052869999997,1617.143824999999,828.1593639999995,319.8597370000001,78.738912,9.144576,0.0,0.0,3006.162142907779,3640.9364438624407,4662.371147340701,3528.6265601371697,2216.331997522174,874.9221648086931,279.75369987837234,0.0,0.0,112.34252399999997,114.711404,189.32522000000006,183.82619200000005,147.49814800000001,83.01657599999999,60.46617599999999,0.0,0.0,20.93350723879199,25.531534480000005,33.10498052909401,27.013799892848997,21.046197769093993,9.348943289094002,4.001516143641,0.0,0.0,2425.5586385364923,2165.6388189832005,3888.076483384495,3704.794767082449,3380.015936216095,2028.241198422894,1664.258868218241,0.0,0.0,41.80555555555556,45.0,68.77777777777777,63.0,36.0,18.0,9.0,0.0,0.0,75.31208259999994,80.16701913333331,64.68575299999996,36.00692886956519,15.231416047619053,6.561576,1.016064,0.0,0.0,200.41080952718528,242.72909625749605,186.49484589362805,153.41854609292042,105.53961892962732,72.91018040072443,31.08374443093026,0.0,0.0,7.489501599999998,7.647426933333334,7.573008800000002,7.9924431304347845,7.023721333333334,6.918047999999999,6.718463999999999,0.0,0.0,1.3955671492527992,1.702102298666667,1.3241992211637603,1.1745130388195215,1.0021998937663805,0.7790786074245002,0.444612904849,0.0,0.0,161.70390923576616,144.3759212655467,155.5230593353798,161.07803335141082,160.95313981981403,169.0200998685745,184.917652024249,0.0,0.0,2.787037037037037,3.0,2.751111111111111,2.739130434782609,1.7142857142857142,1.5,1.0,0.0,0.0,0.12469528210417892,-0.0480553914312693,0.05151185924753465,-0.09599029457377974,0.013716600970872185,0.008426605494631832,0.00804297923992093,0.0,0.0,513.6289296000001,22.342371200000315,244.28712440000015,-562.2005049199997,-217.20273224,-6.539046480000238,262.4983232399996,0.0,0.0,778.6923982406524,-49.264265732646514,144.34393264809026,-362.86046770334787,-444.1614858286338,-70.71551802721078,393.31160552342254,0.0,0.0,1.0071936,0.019612800000000364,0.15923040000000022,-0.9938347199999977,0.065607359999999,0.08801951999999924,0.15776783999999908,0.0,0.0,3.5316771423696003,-0.514646227200001,-0.3173316393636002,0.04476967804067944,-2.044165154887439,-0.4495549275184792,1.5150896997440413,0.0,0.0,19.71791965974291,-3.310735888566665,-3.37800788289249,2.7694305539949045,-11.15491101561009,-2.635100140037144,7.8503645432400315,0.0,0.0,7.048148148148151,-0.9203703703703711,4.929012345679014,-9.542345679012348,-0.5840740740740731,0.13925925925926042,2.4544444444444453,0.0,0.0,0.00831301880694526,-0.00320369276208462,0.002060474369901386,-0.004173491068425206,6.531714748034374E-4,7.022171245526527E-4,8.936643599912145E-4,0.0,0.0,34.241928640000005,1.4894914133333543,9.771484976000005,-24.443500213913033,-10.342987249523809,-0.5449205400000198,29.166480359999955,0.0,0.0,51.91282654937683,-3.2842843821764345,5.773757305923611,-15.776542074058602,-21.150546944220658,-5.892959835600898,43.701289502602506,0.0,0.0,0.06714624,0.0013075200000000242,0.006369216000000008,-0.043210205217391204,0.0031241599999999527,0.007334959999999936,0.017529759999999898,0.0,0.0,0.23544514282464002,-0.03430974848000006,-0.012693265574544008,0.001946507740899106,-0.0973411978517828,-0.03746291062653993,0.16834329997156014,0.0,0.0,1.314527977316194,-0.22071572590444433,-0.1351203153156996,0.12041002408673497,-0.5311862388385757,-0.21959167833642868,0.8722627270266702,0.0,0.0,0.4698765432098767,-0.06135802469135807,0.19716049382716055,-0.41488459473966727,-0.02781305114638443,0.011604938271605034,0.27271604938271615,0.0,0.0,-0.38538259523821083,0.247861146203582,-0.5020427795662374,0.07857211561433418,0.08447197592840434,0.10750178494057858,0.0,0.0,0.043499051382093944,0.2853660808283258,-0.713847063665659,-0.30205621179414405,-0.015913839016750538,0.8517767987498485,0.0,0.0,-0.06326537390624629,0.11122024535558486,-0.303904509207426,-0.4074242985806858,-0.11351645108354513,0.8418206521857574,0.0,0.0,0.019472721033970394,0.09485588470776635,-0.6435238252713957,0.046527698349154815,0.10923858134126255,0.26106837851233217,0.0,0.0,-0.1457228977773138,-0.053911775041364844,0.008267351441388062,-0.41343472489590793,-0.15911524093084553,0.7150000970584581,0.0,0.0,-0.16790492839495785,-0.10278998822951489,0.0915994380983584,-0.4040889566482047,-0.16704983243092172,0.6635558482425953,0.0,0.0,-0.13058328954282716,0.4196006305832895,-0.8829651122940892,-0.05919225283387121,0.02469784550709426,0.5803993694167104,0.0,0.0,1.278644194465709,0.8651612252083902,2.621307561759179,0.130695020909592,0.09638642443683673,0.0,0.0,0.0,0.9088733281246754,0.6946599887935907,1.7826695628386278,1.0999666804333887,0.8249750103250414,0.0,0.0,0.0,1.12063219708996,0.8590545825934457,1.1408180283741542,1.349177927540295,1.0118834456552215,0.0,0.0,0.0,0.8519111585564747,0.9827350769504489,2.798105634265866,0.10988420365922354,0.08241315274441767,0.0,0.0,0.0,1.2630013683650194,1.0368509719210284,0.879905043481859,1.3298629725472086,0.9973972294104064,0.0,0.0,0.0,1.2982197853663773,1.0920735640089296,0.843870257248734,1.2938616067520083,0.970396205064006,0.0,0.0,0.0,1.0042038885969515,0.5870730425643718,2.552491489410312,0.5044666316342614,0.4965843405149761,0.0,0.0,0.0,17.251201099793622,8.75060054989681,12.421003588661472,17.42977252836505,2.48996750405215,8.751162606353157,0.24999999999999645,1.7835797551144571E-16,2.547971078734939E-17,-25.383917331341067,2000018.2647608947,285716.8949658421,10.156066809604079,17.25557747850001,8.75242152879935,12.42440573109588,17.433624320713356,2.490517760101908,8.752982422741868,0.2492655790986884,1.0607579548667305E-16,1.515368506952472E-17,-25.747664448483178,2000018.2656766474,285716.8950966639,10.156066809924589,21.23794273733138,10.419474129636676,15.587517273409198,20.952946681575643,2.9932780973679494,10.419569146432254,-0.398994478058027,1.1455804990511935E-16,1.6365435700731335E-17,-25.693814995311147,2000020.2578286799,285717.1796898114,10.156067507171084,17.26017088777822,8.754332843998583,12.427976856221486,17.437667173648897,2.4910953105212705,8.754892520570397,0.2484948002189462,1.919387510861699E-17,2.741982158373856E-18,-26.944358315358024,2000018.266642979,285716.8952347113,10.156066810262802,25.767386585105196,12.276276877789378,19.142888192026234,25.3035461861027,3.6147923123003864,12.276292232748613,-1.0822942643391542,1.5573137818677285E-16,2.224733974096755E-17,-25.47887935990397,2000023.4176992062,285717.6310998866,10.156068613113693,17.711103130971054,8.942118658424675,12.77980941175767,17.83477040659841,2.547824343799773,8.942571639424383,0.17313418587829688,2.538309646640015E-16,3.6261566380571645E-17,-25.136904185303514,2000018.385378859,285716.91219697986,10.156066851819977,17.0840580466299,8.749965531251455,12.152549039953186,17.381110200824907,2.483015742974987,8.750545124688422,0.41587301587300907,4.1333167403437E-16,5.904738200491E-17,-24.79559692288202,2000019.6161249196,285717.08801784564,10.156067282577007,0,11.99391694889645,16.00054020709624,-0.3716598791424094,0.10903401912457536,5.366687499999998,6.740918483460141,7.0,15.0,13.0,10.0,2.0,2.0,0.0,0.0,0.0,5.0,10.661655999999999,3.824254259754264,2.8525875967500434,2.440965920965761,1.9828383070264415,1.5900458415566439,0.3762349737417613,0.08392307051869163,0.0839230705186913,1.6853947439146064,1.6247826640829475,1.1903723984880497,0.7487308306386568,0.1499250071548785,0.08392307051869119,0.08392307051869127,0.0839230705186913,3.74269697758861,2.8905057452867484,2.485428602719743,1.759011631649953,1.6497878444343002,0.5040051590830174,0.27091390189293746,0.27091390189293735,1.645302925090893,1.635270650861624,1.0919451655481518,0.7843065866264892,0.07615592064660502,0.2709139018929371,0.2709139018929373,0.27091390189293735,3.871489846873801,3.0658172472046763,2.7253126285496823,2.1601178500263507,1.9096795639327449,0.9634663792954731,0.9439184268026232,0.9439184268026223,1.5042008616338005,1.421874762835291,0.7716703465854352,0.38899427902130085,0.4971932236322899,0.9439184268026215,0.943918426802622,0.9439184268026223,3.7244941938452762,2.9189901394709636,2.5245958856844632,1.6958993161399734,1.693578172374151,0.5926579522402345,0.3992772455089821,0.3992772455089819,1.6647360738816923,1.6048658984634185,1.0265507459955534,0.7785236236078376,0.0018091851874538416,0.39927724550898147,0.39927724550898164,0.3992772455089819,3.874293693843854,3.1543000101415593,2.8387098769603214,2.1785335706749707,2.036200717479419,1.2076448229620884,1.2076448229620877,1.2076448229620875,1.4679053530968955,1.4050691192904936,0.6625089674692973,0.30555350445453244,0.6685060727768505,1.1304583674778046,1.2076448229620869,1.2076448229620875,3.932979110978833,2.954522795588551,2.6177017753856604,2.310837251400203,1.7339182181047939,0.647550996290884,0.5294117647058826,0.5294117647058824,1.5695101756392307,1.4648471334629194,0.9324031763248251,0.49614633186771495,0.23598490483987997,0.5294117647058822,0.5294117647058822,0.5294117647058824,0,0,0,4,0,2,0,0,0,0.0,0.0,0.11785113019775793,0.23570226039551587,0.11785113019775793,0.0,0.0,0.034020690871988585,0.06804138174397717,0.034020690871988585,0.5773502691896258,0.0,0.0,0.0,0.23570226039551587,0.0,0.0,0.0,0.7415816237971964,1.040440114519881,0.5892556509887896,0.2539338936857123,0.3219752754296894,0.17010345435994292,5.276020881938894,3.287693700234704,3.02339596063022,1.9570030804445209,1.4916245780509723,0.6380711874576984,0.0,0.0,0.7537172688484135,0.4696705286049577,0.3359328845144689,0.21744478671605788,0.14916245780509724,0.1276142374915397,0.0,0.0,4.562948828843115,2.3189318929868223,1.656696225998304,0.8747247055843104,0.5566833238403331,0.21941609682128768,0.0,0.0,0.6518498326918735,0.3312759847124032,0.184077358444256,0.09719163395381226,0.05566833238403331,0.043883219364257535,0.0,0.0,8.882110319560352,14.88201019664967,14.250980392156867,14.440000000000007,9.674457485029938,113.75293053892217,0.5921406879706902,0.992134013109978,0.9500653594771244,0.9626666666666671,0.6449638323353292,7.583528702594811,1.31644,28.416999999999987,22.47266809300736,30.163935869812786,44.94533618601473,6.420762312287819,22.472668093336708,1.7840008953481965E-16,2.5485727076402806E-17,-25.383752066309174,2000014.7364305793,285716.3909186542,10.156065574698657,42,0.0,0.0,1.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.083333333333333,5.875000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9798611111111112,0.0,0.0,0.0,0.0,0.9798611111111112,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.875,0.0,0.0,0.0,0.0,3.9074074074074074,0.0,0.0,0.0,0.0,1.967592592592593,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.083333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.083333333333333,0.9837962962962965,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4899305555555556,0.0,0.0,0.0,0.0,0.4899305555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9375,0.0,0.0,0.0,0.0,1.9537037037037037,0.0,0.0,0.0,0.0,0.9837962962962965,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.083333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.083333333333333,1.9537037037037037,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4899305555555556,0.0,0.0,0.0,0.0,0.4899305555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9375,0.0,0.0,0.0,0.0,1.9537037037037037,0.0,0.0,0.0,0.0,0.9837962962962965,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.083333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.833333333333334,2.119047619047619,0.4899305555555556,5.083333333333333,0.23611111111111116,0.9837962962962965,3.2358333333333333,0.6828703703703702,1.5833333333333333,3.166666666666666,0.6828703703703702,1.5833333333333333,3.166666666666666,3.33333,0.47619,0.0,0.02381,0.53778,0.80952,0.43333,0.48772,0.80952,0.10444,0.05006,-0.05439,0.0,0.58823,0.12606,0.0,0.3,0.3,0.0,9.0,1.28571,4.0,0.57143,5.0,0.71429,1.0,0.14286,0.0,0.0,3.24466,0.46352,6.88311,3.63845,0.51978,1.42047,0.20292,3.28768,1.86721,0.26674,0.12632,0.01805,0.21232,0.03033,0.3333333333333333,7.01,0,1,1,1,0,0,0.3333333333333333,1.272905595320056,2.339572261986723,2.339572261986723,2.339572261986723,2.339572261986723,2.339572261986723,19.093583929800843,35.09358392980084,35.09358392980084,35.09358392980084,35.09358392980084,35.09358392980084,0.32581040194748384,0.5988322950779538,0.5988322950779538,0.5988322950779538,0.5988322950779538,0.5988322950779538,2.6339850002884626,1.5673183336217957,1.5673183336217957,1.5673183336217957,1.5673183336217957,1.5673183336217957,0.30826310284292646,0.5665807483735145,0.5665807483735145,0.5665807483735145,0.5665807483735145,0.5665807483735145,10.998740045776437,19.04262746350141,19.04262746350141,19.04262746350141,19.04262746350141,19.04262746350141,24.988839425298906,19.984548096470707,19.984548096470704,19.984548096470707,19.984548096470704,19.984548096470707,5.142857142857143,1.8518518518518519,1.1851851851851851,0,5,0,2.0100000000000002,0.8181000000000002,0.25,1.6329931618554518,2.3094010767585034,0.0,1.0,2.8284271247461903,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.15399999999999997,0.148,0.42900000000000005,0.41100000000000003,3.015,9.0,9.0,10.0,5.0,0.0,0.0,0.0,0.0,0.0,47.0,2.3513752571634776,2.9041650800285006,3.2911964864478267,3.7391566074049467,3.2037621870581527,0.0,0.0,0.0,0.0,0.0,4.830810617500888,2.6449468085106385,0.5,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.2857142857142857,0,2.0,4.0,1.0,2.0,0.666666666666667,0.5694444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2857142857142857,0.07407407407407411,0.14236111111111113,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5021494708994709,12.046492721775465,17.69224403284006,24.09298544355093,3.441855063364419,12.046510330255739,4.554714268370291E-16,6.506734669100416E-17,-24.727639081871274,2000016.6741644482,285716.66773777833,10.156066252900185,13.14,92.59321705416124,3.807354922057604,3.4965075614664802,4.23410650459726,5.043425116919247,5.802118375377063,6.610696044717759,7.3783837129967145,8.182838710766026,8.955835144218959,9.756436609824092,73.46034778088361,2.70805020110221,0.0,3.9318256327243257,2.3978952727983707,5.303304908059076,4.59511985013459,6.736966958001855,6.502790045915623,8.206583614320753,8.62191350218664,96.057514876,6.403834325066667,13.453539905621657,1.9219342722316652,2.8952261935286545,2.8952261935286545,0.0,41.0,4.0,1.181,32.0,1.3453054839130718,2.305450102082819,3.452381605764036,4.272473722053556,5.533025254974525,6.288407110724863,0.0,0.0,0.0,0.0,127.20577973035468,174.7831278663287,136.72518560062525,74.63157529049819,38.220836296563114,6.389424082551547,0.0,0.0,0.0,0.0,358.30692238582935,476.48343865546406,560.4268985671654,484.30188225203415,417.8611031215866,195.4672395074162,0.0,0.0,0.0,0.0,10.48545940905095,17.784141143848462,27.711933513466573,30.108904690173535,38.34667243855588,42.248436790749004,0.0,0.0,0.0,0.0,2.416228404886391,3.2616213666384373,4.221963345467879,4.504213047688758,4.426189123911351,2.795906952372488,0.0,0.0,0.0,0.0,192.46172479505998,353.1599369015881,553.0231848024318,680.0972406813968,929.7013212229394,1162.8374778878333,0.0,0.0,0.0,0.0,4.349376817144267,7.002339625382128,9.685675568600164,7.603491684368253,8.472242456550562,6.288407110724863,0.0,0.0,0.0,0.0,0.5462426108784955,0.7724999923899546,0.9938782396242551,0.967529136118139,0.9710180730462543,0.643932888138226,0.0,0.0,0.0,0.0,267.50602540454827,112.61899881748894,10.511639850513028,110.00289949037005,-46.3107938929278,-12.12033716593131,157.5031259141782,158.92979271041673,22.63197701644434,0.7086084798631186,0.2983214207421376,0.02784474526910589,0.29139152013688147,-0.12267469942814904,-0.03210609436400761,100.98591205338373,42.51467716633233,3.9682378588497533,41.52707632193336,-17.482738013549323,-4.57553545287465,0.15303885338282666,0.7579397619402091,3.5412674150439027,24.26183661932888,345.4986810237928,32.010243871125475,0.9152066566902074,0.08479334330979248,458.1364071055325,21.404121264502603,7.7090039558686625,536.0573203470447,23.152911703434725,8.123385754433894,706.7320518102333,26.584432508711433,8.907413138553244,2.4741068099777763,2.4741068099777763,383.97126771043014,305.61602437206403,102.69500710992884,1.2563846038484376,3.7389477688960278,2.9759579649760424,3.872798679385071,4.2643058026679235,6.726399482290654,0.5773726823442973,2.394553897620201,2.8104757473740385,3.7117156519351533,4.656174412871052,3.4724498373317223,3.1898839404510944,3.096018680928781,7.0217441333033435,1.8975758334147004,3.8929200825188497,3.5953101703189225,1.330572083378174,6.233542592577597E-4,1.0243155808021303E-26,3.5886432317699504E-71,2.4309436353081226E-137,3.1762922066373545E-225,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20098838029171712,2.9899788703668455,1.2146692485978345,4.217481925960974,1.86247851123084,1.433798187967864,2.211672169253382,0.3789626389613615,0.0807092851394668,0.9173448102634372,0.26728190380255906,0.009371330012707553,4.3903350166912E-6,7.21433838904502E-29,2.527510770779315E-73,1.7121334790274797E-139,2.2370885721785096E-227,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6487418570696979,2.6560710393506204,1.596265215705337,3.54903144018184,1.6414608592255593,1.042342892744518,2.334929114129909,1.36134992429205,0.3122923818040092,1.2657551344263793,0.8855170497264755,0.0976564680888978,4.57506758400126E-5,7.517896829798413E-28,2.6338610952567807E-72,1.7841750913317313E-138,2.3312187726455317E-226,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2602653943853084,2.9893482905740534,3.591046095696191,5.04866340449584,3.684975422215367,3.522288611610316,3.220610177661889,6.484266143360674,1.7370765871299279,3.619143187498999,3.369960328884173,1.185515772680078,5.553974224137879E-4,9.126467411856434E-27,3.197416511216218E-71,2.1659270134625734E-137,2.8300191716022656E-225,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.956110585505467,2.529186907539589,1.9002496730345135,3.350035417447265,1.6787208966762264,0.9694665617378332,2.3860908049127216,2.146302679582368,0.512621468592919,1.5818208669921592,1.3280539049066515,0.21212289318624408,9.937658143303424E-5,1.632987650552281E-27,5.721098252873681E-72,3.8754667116731777E-138,5.063718687089083E-226,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.891763808502111,2.923807646446612,4.396252991116115,5.162823669847458,4.122649265266749,4.2774391983201445,3.445702838153075,9.167120349032356,2.54777693166636,5.010613864043042,4.454216115318399,1.940514327712679,9.09103603313704E-4,1.493868007810511E-26,5.233698887201092E-71,3.5453028281904993E-137,4.632323670443116E-225,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3422882728893513,3.0476062629132556,2.316762126252549,5.493363704889316,3.4541805359199462,3.071215045785474,2.9261545813076273,3.015552410709758,0.7773583555856524,2.1005716915407504,1.8897807326966598,0.37292851521643683,1.7471174740442402E-4,2.870919101902165E-27,1.0058135009459032E-71,6.813371434600621E-138,8.902410682962828E-226,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.249457239658215,1.4270217821435973,0.28811122287768437,0.7537352601136105,0.2048967321851779,0.6116671850113128,0.4242054081593584,0.43022790570587216,6.9645902446794965,9.4146583609122,18.53751565588109,0.6306028901704158,1.4661004988765434,3.056545464209939,0.9609135149638987,0.15298894430243568,0.7329057982007261,0.23041014600727347,0.2084390274233293,0.20662048562213167,0.08574056961477297,4.1704479234762735,3.55170265366308,8.171490710103203,0.5993586973010893,0.5008000826602339,3.9892663607584833,1.0685251183303892,0.18106096396204482,0.7614771372402463,0.20396167480298777,0.3534469022258742,0.2396817706971454,0.16371510548578347,5.238852443050917,5.178399910903748,11.189048487990814,0.6422157058603695,0.7568437784088031,5.071179893661203,1.4152273806944171,0.2924568948729164,0.7480869607449775,0.20877057651023503,0.5710243475778622,0.41927517078616094,0.4332221110173298,6.7788641692285365,9.073867168275479,17.95165722409327,0.6221304411174664,1.423521629381353,4.445740672340664,1.1500720958053663,0.1956407597961482,0.7676381500587344,0.1985809072379815,0.4386724756959199,0.27517731697252984,0.1994998242922324,5.791453527942178,6.207691354083063,12.999440884098037,0.6514572250881016,0.9133496169606821,5.399810445972934,1.482249454342842,0.3071476381955687,0.7510995359428811,0.2061770294434661,0.647229735790346,0.45790906998964087,0.4878315480063193,7.1892075385113445,10.11767453140058,19.76525063499773,0.6266493039143217,1.5929703537863062,5.147160015545612,1.4128387638582658,0.2864137645989344,0.7518039531600124,0.206361909215631,0.5881427080872519,0.41655383505935617,0.4218325697873815,6.846412544002813,9.150981139917633,18.080225281847703,0.6277059297400187,1.4265291129339897 +UMLCN0005,L,"2,5-dihydrofuran",C1C=CCO1,Cyclic Ethers,Olefins,C4H6O,Marquardt (2015),IQT,PubChem,,15.6,0,0.33689999999999964,0.11350160999999977,21.3621,11.842758000000002,0,0,11,5,6,0,4,0,1,0,0,0.0,0.0,0.0,0.0,0.0,839.1208690000001,889.7628689999998,980.5171409999997,158.40518400000002,8.128512,0.0,0.0,0.0,0.0,2096.9608505472575,2564.429407622744,3184.124651727509,1466.8121471107709,248.6699554474421,0.0,0.0,0.0,0.0,83.82456399999998,85.39510800000001,150.95197200000004,123.710976,53.74771199999999,0.0,0.0,0.0,0.0,14.466481429094003,17.726645859999998,22.982032233697993,14.428043596245002,3.5569032387919997,0.0,0.0,0.0,0.0,1802.1346223079943,1605.8050113774004,3022.622517636298,2826.182290642545,1479.341216193992,0.0,0.0,0.0,0.0,30.75,30.5,53.25,29.0,8.0,0.0,0.0,0.0,0.0,76.28371536363638,80.88753354545453,51.60616531578946,9.317952000000002,1.016064,0.0,0.0,0.0,0.0,190.63280459520522,233.12994614752216,167.58550798565838,86.28306747710417,31.083744430930263,0.0,0.0,0.0,0.0,7.620414909090908,7.763191636363637,7.944840631578949,7.277116235294118,6.718463999999999,0.0,0.0,0.0,0.0,1.315134675372182,1.6115132599999997,1.2095806438788417,0.8487084468379413,0.44461290484899996,0.0,0.0,0.0,0.0,163.83042020981767,145.98227376158187,159.08539566506832,166.2460170966203,184.917652024249,0.0,0.0,0.0,0.0,2.7954545454545454,2.772727272727273,2.8026315789473686,1.7058823529411764,1.0,0.0,0.0,0.0,0.0,0.17667453187750642,-0.04450592396702989,-0.0558547947217158,-0.017242546163585157,0.02926599891357766,0.0,0.0,0.0,0.0,392.5073889090908,22.488694545454745,-187.01876775206597,-261.89578713223165,230.1721658842973,0.0,0.0,0.0,0.0,549.2305619686947,-51.166832557525666,-153.36060745067027,-386.25246056346,316.16461958730866,0.0,0.0,0.0,0.0,0.9667367272727267,0.0013207272727276107,-0.5075154380165277,-0.16333457851239724,0.18616092561983358,0.0,0.0,0.0,0.0,2.4797785848609086,-0.5434660050909095,-0.3664162842179344,-1.467606630310041,1.13759962718843,0.0,0.0,0.0,0.0,13.949468307224528,-3.5123204556363543,-1.6544216138914827,-7.566949815735657,5.758957731651227,0.0,0.0,0.0,0.0,6.0,-0.25,-3.0,-1.75,2.0,0.0,0.0,0.0,0.0,0.016061321079773313,-0.004045993087911808,-0.002939726037985042,-0.0010142674213873622,0.0036582498641972074,0.0,0.0,0.0,0.0,35.68248990082644,2.044426776859522,-9.843093039582419,-15.405634537190096,28.771520735537162,0.0,0.0,0.0,0.0,49.93005108806315,-4.651530232502333,-8.07161091845633,-22.720732974321177,39.52057744841358,0.0,0.0,0.0,0.0,0.08788515702479334,1.2006611570251007E-4,-0.02671133884297514,-0.00960791638308219,0.023270115702479197,0.0,0.0,0.0,0.0,0.22543441680553714,-0.049406000462809956,-0.0192850675904176,-0.08632980178294358,0.14219995339855376,0.0,0.0,0.0,0.0,1.268133482474957,-0.3193018596033049,-0.08707482178376225,-0.44511469504327394,0.7198697164564034,0.0,0.0,0.0,0.0,0.5454545454545454,-0.022727272727272728,-0.15789473684210525,-0.10294117647058823,0.25,0.0,0.0,0.0,0.0,-0.2519091093326747,-0.1830313971922995,-0.06314968839422999,0.227767681501878,0.0,0.0,0.0,0.0,0.057294958466790495,-0.2758521915634156,-0.43174213963228186,0.8063204337898737,0.0,0.0,0.0,0.0,-0.09316093477049098,-0.1616583749177461,-0.45505126630549464,0.7915188666382483,0.0,0.0,0.0,0.0,0.0013661705772299883,-0.30393458630835224,-0.10932353890397778,0.2647786781095976,0.0,0.0,0.0,0.0,-0.21915908477022059,-0.08554624384196477,-0.3829486331601837,0.6307819161491096,0.0,0.0,0.0,0.0,-0.2517888408561994,-0.06866376685664223,-0.3509998759551434,0.567660838866479,0.0,0.0,0.0,0.0,-0.04166666666666667,-0.2894736842105263,-0.18872549019607843,0.45833333333333337,0.0,0.0,0.0,0.0,1.1452002864820428,1.5874834845691035,0.7200244343620987,2.440721610933654E-5,0.0,0.0,0.0,0.0,0.8780429286454768,1.2733630108606084,1.2439782693263648,0.0,0.0,0.0,0.0,0.0,1.1749179240786864,1.0558817954704671,1.2949499247762106,0.0,0.0,0.0,0.0,0.0,0.8422072983299771,1.7285585676938438,0.7584180548345434,0.0,0.0,0.0,0.0,0.0,1.3830768739447437,1.0220952863109019,1.198020232158865,0.0,0.0,0.0,0.0,0.0,1.4311215468578034,1.0348405998116688,1.1526877404789688,0.0,0.0,0.0,0.0,0.0,0.8712121212121212,1.6008771929824561,0.8823529411764707,0.0,0.0,0.0,0.0,0.0,9.463888144546804,4.856944072273402,7.294989944885183,9.613888144546804,1.9227776289093605,4.878930294904166,0.2499999999999991,0.03943462893865257,0.007886925787730514,-1.6165554708092533,13.079324889095236,2.6158649778190473,1.2855163653567303,9.467871306548398,4.858568442823547,7.2971986969209475,9.617430654007615,1.923486130801523,4.880514079365239,0.2492655790986955,0.039660186430212296,0.00793203728604246,-1.6137037275950907,13.08561997774733,2.617123995549466,1.2857569578290475,13.076159189522793,6.338582355732383,9.7158397706533,12.871699368404311,2.574339873680862,6.343344344320946,-0.398994478058027,0.15894839079380274,0.03178967815876055,-0.9195878578269536,35.84570598718621,7.169141197437241,1.7896118913331807,9.47205194730992,4.860273373764429,7.299518484635757,9.621148827441282,1.9242297654882563,4.882176503327391,0.24849480021893733,0.03989666401823688,0.007979332803647377,-1.610731283573601,13.092244242164224,2.6184488484328448,1.2860100061489042,17.80808211504279,7.975388007731422,12.75598766874409,17.59162326217496,3.518324652434992,7.976468666392466,-1.0822942643391533,0.19865205345512926,0.039730410691025855,-0.8081002298621086,23.396044635154077,4.679208927030816,1.576283487695149,9.88221229504714,5.027673240462722,7.534517238320837,9.986092806574124,1.9972185613148246,5.045825354808792,0.17313418587830398,0.06178023755034601,0.0123560475100692,-1.3920858731989965,13.831190922314903,2.7662381844629804,1.3134631267443992,8.418920176381953,4.41779342152431,6.740299686856466,8.668920176381953,1.7337840352763905,4.454741924533661,0.41666666666666785,0.023463997889379584,0.0046927995778759165,-1.876144018629212,11.973497911215123,2.3946995822430246,1.2413478500200843,0,11.996935550902496,15.997417024300557,-0.39431877306601626,0.0875715574019976,5.1079809146899215,5.830021483360023,5.0,11.0,10.0,10.0,4.0,1.0,1.0,0.0,0.0,1.0,8.475242,3.5862635382769743,2.327176486735916,2.2862085273104835,0.7579127816941206,0.7070953960491181,0.08392307051869141,0.08392307051869098,0.26622143696545475,1.6544162338190564,1.3992573478196293,0.6770404559466928,0.26622143696545475,0.08392307051869098,0.08392307051869141,0.7070953960491181,0.7579127816941206,3.539798053215583,2.3795818639824415,2.1613880380392088,0.8928205683594178,0.49710497412441906,0.27091390189293746,0.27091390189293707,0.1039075023668103,1.6009605307767616,1.4235430924365768,0.5438276601523181,0.1039075023668103,0.27091390189293707,0.27091390189293746,0.49710497412441906,0.8928205683594178,3.684311384956366,2.6115182133453074,2.460133596109155,1.4202925813413938,1.1345999556082895,0.9439184268026222,0.9439184268026221,0.4700735171767812,1.450772367197597,1.116405255643553,0.10741513625695441,0.4700735171767812,0.9439184268026221,0.9439184268026222,1.1345999556082895,1.4202925813413938,3.5364694933245837,2.418379229815335,2.148392224354817,0.9886839546392072,0.4399723775645259,0.399277245508982,0.39927724550898197,0.0041759169905258315,1.5675359157994222,1.4360024378853091,0.4551863400102484,0.0041759169905258315,0.39927724550898197,0.399277245508982,0.4399723775645259,0.9886839546392072,3.711597271902462,2.7232316273927872,2.5208655235106514,1.6411042887676275,1.2085154084007976,1.2076448229620877,1.2076448229620877,0.6752515208429622,1.4061754440188292,1.077340443164399,0.04291561140949456,0.6752515208429622,1.2076448229620877,1.2076448229620877,1.2085154084007976,1.6411042887676275,3.7554383594783394,2.6264334146752506,2.4114883225238173,1.1999734909655317,1.148077238812125,0.5714285714285714,0.5714285714285713,0.18038905903723096,1.4863788840511238,1.2051636189261126,0.34454309680077067,0.18038905903723096,0.5714285714285713,0.5714285714285714,1.148077238812125,1.1999734909655317,0,0,0,2,0,2,0,0,0,0.0,0.0,0.17677669529663687,0.0,0.0,0.0,0.0,0.06804138174397717,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.5355339059327373,2.5,1.7677669529663687,1.25,0.8838834764831843,0.0,0.0,0.0,0.7071067811865475,0.5,0.35355339059327373,0.25,0.17677669529663687,0.0,0.0,0.0,2.9771623912162095,1.7271801834506852,1.0088619993562966,0.5948190167920578,0.34020690871988585,0.0,0.0,0.0,0.5954324782432419,0.34543603669013706,0.20177239987125933,0.11896380335841157,0.06804138174397717,0.0,0.0,0.0,6.3402825157744775,10.994173343044427,10.525490196078435,10.680000000000003,6.875902994011974,83.98198083832337,0.5763893196158616,0.9994703039131297,0.9568627450980395,0.9709090909090912,0.625082090364725,7.634725530756669,0.49898999999999993,19.689,13.999999999999993,18.618033988749886,27.999999999999986,5.599999999999996,14.000001001560843,1.1102230246251565E-16,2.2204460492503132E-17,-18.36840028483855,19.225433765858742,3.8450867531717483,1.4781170388653044,20,0.0,0.0,1.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.833333333333333,4.027777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8861111111111111,0.0,0.0,0.0,1.0805555555555557,0.0,0.8861111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6388888888888888,0.0,4.027777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.833333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.833333333333333,2.013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.44305555555555554,0.0,0.0,0.0,0.5402777777777779,0.0,0.44305555555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8194444444444444,0.0,2.013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.833333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.833333333333333,2.013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.44305555555555554,0.0,0.0,0.0,0.5402777777777779,0.0,0.44305555555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8194444444444444,0.0,2.013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.833333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.5,2.1,0.5402777777777779,4.833333333333333,0.33333333333333337,0.8194444444444444,1.9177222222222223,0.6805555555555556,1.3333333333333333,2.7222222222222223,0.6805555555555556,1.3333333333333333,2.7222222222222223,2.33333,0.46667,0.0,0.03333,0.55152,0.85333,0.43333,0.51282,0.85333,0.11818,0.03869,-0.07949,0.0,0.54687,0.16742,0.0,0.0,0.0,0.0,4.0,0.8,3.0,0.6,1.0,0.2,-2.0,-0.4,0.0,0.0,2.23067,0.44613,3.75,1.51933,0.30387,1.47874,0.29575,2.5,1.02126,0.20425,-0.086,-0.0172,-0.0,-0.0,0.45454545454545453,5.01,1,1,1,1,0,0,0.5,1.3221793455166668,2.186704345910025,2.186704345910025,2.186704345910025,2.186704345910025,2.186704345910025,14.543972800683335,24.053747805010275,24.053747805010275,24.053747805010275,24.053747805010275,24.053747805010275,0.3821955428728739,0.6320993119590518,0.6320993119590518,0.6320993119590518,0.6320993119590518,0.6320993119590518,2.137252273120631,1.272727272727273,1.272727272727273,1.272727272727273,1.272727272727273,1.272727272727273,0.368812601317502,0.6099657515162694,0.6099657515162694,0.6099657515162694,0.6099657515162694,0.6099657515162694,11.879445660809393,16.74789013081381,16.74789013081381,16.74789013081381,16.74789013081381,16.747890130813808,18.114706962114546,16.265163910584963,16.265163910584963,16.265163910584963,16.265163910584963,16.265163910584963,3.2,1.44,0.64,0,2,0,1.7899999999999998,0.5793000000000004,0.0,0.0,0.0,0.0,4.242640687119286,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.42400000000000004,0.41800000000000004,0.562,0.397,2.425,5.0,5.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,25.0,1.9459101490553132,2.0794415416798357,2.1972245773362196,2.302585092994046,0.0,0.0,0.0,0.0,0.0,0.0,3.58351893845611,1.4,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.000000000000002,8.618033988749897,12.000000000000004,2.4000000000000004,6.006204681249255,0.0,0.0,0.0,13.967595206243132,2.7935190412486266,1.3183700092986783,9.23,71.53770650322791,3.321928094887362,3.044522437723423,3.713572066704308,4.394449154672439,5.081404364984463,5.771441123130016,6.46302945692067,7.155396301896734,7.848153086199526,8.54110501146255,62.01307300369413,2.3978952727983707,0.0,3.4339872044851463,2.3978952727983707,4.61512051684126,4.2626798770413155,5.860786223465865,5.8888779583328805,7.147559271189454,7.698936199813447,70.041864812,6.367442255636363,9.6875,1.9375,2.875,2.875,0.0,15.0,0.0,0.41000000000000003,20.0,1.359962023517825,2.3636469920931757,3.223873767550312,4.079818612948301,0.0,0.0,0.0,0.0,0.0,0.0,131.74632179939277,132.98873599314632,31.6185179664718,4.145356819146703,0.0,0.0,0.0,0.0,0.0,0.0,350.1082294462885,416.3077316108669,286.32327406469057,126.81603908943738,0.0,0.0,0.0,0.0,0.0,0.0,10.805612490887661,18.94783336676432,23.648674297556482,27.4101144776231,0.0,0.0,0.0,0.0,0.0,0.0,2.310428167203262,2.947543193206486,2.7825033658552965,1.8139400047599623,0.0,0.0,0.0,0.0,0.0,0.0,196.95025259850217,373.82838441416743,534.0226245354813,754.4304785912282,0.0,0.0,0.0,0.0,0.0,0.0,4.125824637058432,6.88827866771887,5.6766234383367005,4.079818612948301,0.0,0.0,0.0,0.0,0.0,0.0,0.5432067421070392,0.7211247717705875,0.6444329420438657,0.41777342596590605,0.0,0.0,0.0,0.0,0.0,0.0,201.8476879673024,99.66200093686457,12.369462448740165,72.83065891523835,-35.96003139861951,-15.998762218432466,129.01702905206406,135.62203233548408,28.368224667172633,0.7348511095183541,0.36283166135218703,0.045032535651707756,0.26514889048164597,-0.13091687716468206,-0.058245443807312315,55.44318925292153,27.37499366434419,3.3976234972456125,20.005004993203844,-9.877441978417066,-4.39451355832588,0.13316399282990635,0.7545903743656037,0.5276663276782143,28.02279979158887,237.54190737369052,37.1364395088502,0.8648002657277872,0.13519973427221282,329.62286699926796,18.15551891297156,6.907789753170317,388.1697080772049,19.702022943779273,7.2946962668949045,450.75312880439634,21.230947430682324,7.667366976087031,1.878663783070068,1.878663783070068,152.74399200670956,87.95419228081839,74.41337272982385,1.7366311718153422,2.0526417013953178,1.1819675557531553,2.9951574680835993,3.205868911882232,4.430734765985627,0.3820698499441298,1.83675279071194,0.8122372935203451,4.857941630546137,2.9833058433171216,3.5738221059732047,4.174083108530342,2.050955585717249,0.8075665738966543,8.439037050920851E-15,2.217634610157666E-50,1.1244201522372896E-107,1.0996219367208424E-186,2.0741209342984397E-287,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.15417599862693504,0.9917777497573487,1.368671276024133,2.046130690458195,1.5484570932433954,0.22540194447901654,0.06960204195633966,0.005687759713634695,5.943682796990699E-17,1.5618981884866848E-52,7.919383070741682E-110,7.744727211226179E-189,1.460820333135368E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.49762578268967006,0.6578673492612109,1.8469535690015544,1.8711679307217777,1.410418416031542,0.7758193671078261,0.21385306996546496,0.05927082014897662,6.193775734816712E-16,1.627618335386438E-51,8.252607747357022E-109,8.070602875704319E-188,1.522287416966755E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7337466510816009,0.9911139091223324,5.122821533243943,3.004598012652024,3.766507370752055,3.9211095676825565,2.0195960996113707,0.7195272863083877,7.519030079808585E-15,1.975872512371609E-50,1.0018381120974679E-107,9.797433485280396E-187,1.848004410935596E-287,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7333932959747724,0.5309799538270624,2.1260911526970574,1.8704817704788472,1.50359911830024,1.2094785074020524,0.3439913125503469,0.12874413649150748,1.3453708549385987E-15,3.5354045176086613E-51,1.792576679540235E-108,1.7530427893475456E-187,3.306611687785691E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2181381895096055,0.9255520854449226,6.0730975726450325,3.5523412912030565,4.322882865100422,5.526959142825007,2.992232517997686,1.17775995169769,1.2307542424792533E-14,3.234211662126249E-50,1.639861117263616E-107,1.6036952505081763E-186,3.0249104535265523E-287,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0173838106190374,1.2680620594962182,4.199721778514262,2.724251125375581,3.7129689552650693,1.9919027704509866,1.0995630886653405,0.26369522574956267,2.7556039349945637E-15,7.241255869902582E-51,3.671576007305435E-108,3.590602242353771E-187,6.772639785464293E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.037695940825756,1.3420692969245844,0.3016822518878217,0.553504008018877,0.3645493520420937,0.5554686795805425,0.42208513411741005,0.37253978375125374,3.681447489638162,3.7543443464268034,8.260811086949815,0.3770800400914561,1.3500935974492063,1.2463137434603384,0.9973772454523858,0.07596094670384845,0.5372848073989442,0.4299684923148951,0.35710744439448516,0.12980677585570258,0.0178828369808917,2.3196519356165726,1.4134778600506284,3.8275526682639858,0.450879949570759,0.5047970572310794,1.4591932134197876,1.1270964736663343,0.1570046081082408,0.5319127502929479,0.4108551079046659,0.2947424109136813,0.3072379540401507,0.09130073410102209,2.743294295194363,2.0507109240186305,5.052223087408436,0.4141517872964207,0.6932810990548541,1.946646530852449,1.3777833812576854,0.29342109071690015,0.5380670816269976,0.38082922159620947,0.5078894205050286,0.4451348438314707,0.33707748312975994,3.6178510028270345,3.6575150902146745,8.0623382535891,0.3783444548348106,1.290101747466259,1.6815517273144722,1.1196458348038894,0.19586704599936056,0.5610662255194274,0.3735808136305317,0.3828117833681343,0.29702833001463813,0.15462623544390547,2.9970646081177224,2.4314046792476685,5.797236477181807,0.40197055872493864,0.8344663488266779,2.1009069453663014,1.3877298865637644,0.32176896188778925,0.5513604217101736,0.3641947765288593,0.5895522505445843,0.4505471694139481,0.42361302548996693,3.8104057938178553,4.038026408787845,8.78654682993211,0.3733327973585494,1.4637124454484995,1.9806207278495802,1.3537862273524865,0.294916647863821,0.5457272330790348,0.3730133698215473,0.5252486474550302,0.42947641949631354,0.34867511413533425,3.6293236030658877,3.6647091848136224,8.084803726284123,0.37811090435087324,1.303400181086678 +UMLCN0006,L,tris(5-methylfuran-2-yl)methane,CC1=CC=C(O1)C(C2=CC=C(O2)C)C3=CC=C(O3)C,Cyclic Ethers,Aromatics,C16H16O3,Kessler (2017),IQT,UML,,22.3,0,0.9478999999999989,0.8985144099999979,83.50549999999998,41.234687999999984,15,15,35,19,16,0,16,0,3,0,0,0.0,0.0,0.0,0.0,0.0,3092.386962999999,3510.659157000003,5202.4367340000035,4333.642272000005,4965.690051000005,5302.246878000008,4294.548000000007,2463.406860000001,962.6274029999996,7922.782669777229,10004.916400623173,14289.490749168623,13762.856621386507,14592.37669734579,14874.823766214216,14435.286150205511,10875.46882817462,6742.247225859298,268.1988280000001,287.19315600000004,487.42524000000014,557.3921760000003,572.8440600000009,564.4076400000006,589.615920000001,557.5127520000004,462.649836,53.66581847758402,67.68624895999999,96.99885958364088,95.92096590254697,105.58880201818783,101.54130621418791,106.86779793418788,85.84789633709394,64.47243202182909,5543.745987235485,5271.936075246401,9461.61836392784,10765.36946182305,11490.135779472885,11127.476980177491,12044.887582242287,11476.766883420596,10694.800764721032,107.19444444444444,114.99999999999997,184.66666666666663,201.66666666666666,211.4166666666666,213.99999999999997,203.3333333333333,183.0,111.00000000000001,88.3539132285714,94.882679918919,82.57836085714291,62.8064097391305,66.20920068000007,73.64231775000012,55.058307692307785,34.21398416666668,14.585263681818176,226.36521913649224,270.40314596278847,226.81731347886702,199.46169016502185,194.5650226312772,206.594774530753,185.06777115648092,151.04817816909195,102.15526099786815,7.6628236571428605,7.76197718918919,7.7369085714285735,8.078147478260874,7.637920800000012,7.838995000000008,7.559178461538474,7.743232666666673,7.009846,1.5333090993595433,1.8293580799999996,1.5396644378355695,1.3901589261238692,1.4078506935758377,1.4102959196414988,1.3700999735152293,1.1923318935707492,0.9768550306337741,158.3927424924424,142.48475879044327,150.18441847504508,156.01984727279782,153.2018103929718,154.54829139135404,154.4216356697729,159.39954004750828,162.04243582910655,3.0626984126984125,3.1081081081081074,2.9312169312169307,2.9227053140096615,2.818888888888888,2.972222222222222,2.606837606837606,2.5416666666666665,1.681818181818182,0.38225197608198014,-0.12792466977241956,0.04047769996199512,-0.37062123330700153,0.4596633737743512,-0.11090188030613561,-0.021349302715867297,-0.16356394259282414,0.05368438339137576,1215.5240315428575,100.04543042612187,532.0891558799993,-937.4212884416334,278.24081480816324,322.99047968326477,-276.3160834383675,-1548.965000145305,-340.0373891093862,1808.33207732423,-21.229280481296726,282.8339673214559,-338.8737920598931,-276.3675597021498,389.5864309670446,-351.50519858066303,-1229.9702905769627,-973.9816583643754,2.8509165714285727,-0.020125061224489038,0.18402685714285802,-2.5489917551020356,2.7498210612244924,-0.6100633469387728,-0.5555333877551013,-2.4166153469387726,0.5977741224489748,8.41961296280274,-0.8197582073839175,-1.0539641196535272,1.526056861057709,-1.9901661623390146,0.5543676031798491,-1.3817502414578797,-1.4513932804001008,-5.030923844842249,47.6108395456141,-5.759135652696427,-9.801560970125863,12.529277986789392,-10.830127429677994,0.573934808076185,-7.414630723917779,-1.7346464487377418,-28.20403067936632,18.12698412698413,-1.9461451247165535,6.797619047619046,-21.55272108843538,16.227891156462587,3.200680272108844,-0.1734693877551038,-24.608843537414955,1.384353741496601,0.010921485030913718,-0.0034574235073626908,6.425031739999225E-4,-0.005371322221840602,0.006128844983658016,-0.0015403038931407723,-2.7370900917778583E-4,-0.0022717214249003354,8.133997483541782E-4,34.72925804408165,2.703930552057348,8.445859617142847,-13.585815774516425,3.70987753077551,4.485978884489788,-3.542513890235481,-21.513402779795904,-5.152081653172518,51.66663078069229,-0.573764337332344,4.489428052721522,-4.91121437767961,-3.6849007960286637,5.410922652320064,-4.506476904880295,-17.082920702457816,-14.757297854005689,0.08145475918367351,-5.439205736348389E-4,0.00292106122448981,-0.0369419094942324,0.03666428081632656,-0.00847310204081629,-0.007122222919937196,-0.033564102040816286,0.009057183673469315,0.24056037036579256,-0.022155627226592364,-0.01672958920084964,0.022116766102285638,-0.02653554883118686,0.007699550044164571,-0.017714746685357434,-0.020158240005556955,-0.0762261188612462,1.36030970130326,-0.1556523149377413,-0.15558033285914066,0.1815837389389767,-0.14440169906237324,0.007971316778835903,-0.09505936825535614,-0.024092311788024193,-0.42733379817221695,0.5179138321995466,-0.05259851688423118,0.10789871504157215,-0.312358276643991,0.2163718820861678,0.04445389266817839,-0.002223966509680818,-0.3417894935752077,0.02097505668934244,-0.31657082325126207,0.058829286693273905,-0.4918124418645313,0.561173225647434,-0.14103429055489047,-0.025061519418196437,-0.20800481056103023,0.07447702817444847,0.07785742351953688,0.24319147867836874,-0.3911922263721277,0.10682282719851324,0.12917001793691535,-0.10200373085249874,-0.619460477747295,-0.14834989122523176,-0.011105123919687803,0.08689221621161354,-0.09505582817130241,-0.07132071010532592,0.10472760794656102,-0.08722219422452367,-0.33063740453619184,-0.28562531814093944,-0.00667757880676247,0.0358611486150621,-0.45352671672543476,0.4501183378819124,-0.10402218514586938,-0.08743777516887863,-0.4120582072452281,0.11119281137454647,-0.09210007115013517,-0.06954424444646004,0.09193852698453701,-0.11030723302777301,0.032006726762420376,-0.0736395053699853,-0.08379701101600663,-0.3168689786490513,-0.11442417472184227,-0.11437125877297294,0.13348705722307821,-0.10615354644903846,0.0058599279055342275,-0.06988068096866724,-0.017710901984263058,-0.3141444905985784,-0.10155843233776685,0.20833333333333323,-0.6031085814360772,0.4177758318739054,0.0858326036193812,-0.004294085949077236,-0.65993505545826,0.0404991243432575,1.2495177584769104,1.0297990641386667,2.2779804217688993,0.42356234466844206,1.4982243333642902,0.9246543406822958,1.4677098941526412,0.09883997782962103,0.7682634000349435,0.6873954325428012,1.428197270079237,0.8305292557635511,0.8633889964461782,1.040356277899932,1.6323526884380166,1.0774892666673361,0.9677190120756395,0.8679357732927754,0.9689496699368175,1.0417831518290643,0.8248172766436288,1.0620593152317466,1.2543237485468803,1.346804229921219,0.8583875711680619,0.9903068767458042,2.2311244141494,0.46118276949127546,1.4269624866509085,0.9607778655862239,1.752041097960675,0.08999351386541532,1.1254181482002423,1.0638795482388532,0.8487159404975533,1.0970906673711254,0.9339705166680338,1.0577341758190395,1.0252609501127488,1.2931331817544458,1.1659942597424764,1.121704457562789,0.8516007653133238,1.0957636479558714,0.9815028392640153,1.0536294512467148,0.9760464663451944,1.242197281379688,0.9279713163250813,0.7492702860478689,2.084063047285464,0.48558669001751276,1.1093293928779921,0.8937424222012659,1.8995366316403968,0.45470466486228267,108.23789230399714,54.49394615199857,72.25590979531876,108.9089449355761,5.732049733451374,54.49394615199857,0.75,1.17354043149831E-15,6.176528586833211E-17,-65.31962729030927,3006530.276045842,158238.4355813601,28.3409647552544,108.26391504976844,54.50585589353226,72.27201708310625,108.93299634103334,5.733315596896491,54.50585589353226,0.7477967372960705,9.992007221626409E-16,5.258951169277057E-17,-65.62519438544767,3000096.260681553,157899.80319376593,28.33689437272178,131.80699959788328,65.30500808185457,86.9654735614865,130.736014419938,6.880842864207263,65.30500808185457,-1.1969834341741432,1.700029006457271E-16,8.947521086617216E-18,-68.99036073129578,3002601.785586185,158031.67292558867,28.338480492016327,108.29122796152973,54.51835618109327,72.28892335612966,108.95824032001214,5.734644227369062,54.51835618109327,0.7454844006568067,6.661338147750939E-16,3.5059674461847047E-17,-66.39557809085319,3000200.0978032695,157905.26830543522,28.336960132984103,158.05590657223968,77.123441312869,103.16304412795833,156.17613232365068,8.219796438086876,77.123441312869,-3.246882793017491,1.6653345369377348E-16,8.764918615461762E-18,-69.029537376981,3000107.4982418497,157900.39464430787,28.336901489601612,110.97081874689954,55.74511065226723,73.94953268755754,111.4355473510992,5.865028807952591,55.74511065226723,0.519402557634919,6.661338147750939E-16,3.5059674461847047E-17,-66.39557809085319,3000096.8295784798,157899.83313570946,28.336894733011572,126.3003543197521,63.65859384970197,86.33807223943577,127.19049597008063,6.694236630004244,63.65859384970197,1.2035714285713084,5.551115123125783E-17,2.921639538487254E-18,-71.11690072545039,3000092.543081427,157899.6075306014,28.336892018315787,0,11.89,15.996926716869519,-0.31867734680782206,0.13589685929846484,5.704751564037469,10.879068789029091,21.0,37.0,31.0,22.0,6.0,6.0,0.0,0.0,0.0,15.0,23.239311999999995,3.975589723286891,3.742535684157192,3.7425356841571884,2.965804691566433,2.643908012484327,2.643908012484323,2.40061889097083,2.113105917702964,1.778231579507133,1.6641370679951388,1.6641370679951384,1.6487630715810067,1.3514963129409792,1.3514963129409783,1.0808586741525728,0.8303000036559209,3.896342193303193,3.658746825363874,3.658746825363868,2.9889839056398237,2.686457794402695,2.6864577944026933,2.4213076874632744,1.9179737220005864,1.8057949977444014,1.6393391737464367,1.6393391737464362,1.639041029399752,1.3476346977195954,1.3476346977195934,1.011275744700644,0.8857948118400548,4.008660511019363,3.7877059443524703,3.78770594435247,3.110405830005428,2.8830681329521433,2.8830681329521406,2.6177178506746293,2.226930896458677,1.693345896457778,1.4790540502327496,1.479054050232748,1.4646699830517118,1.1548578517435975,1.154857851743597,0.6919798184266039,0.5242205139663091,3.87661521413133,3.640225404049656,3.640225404049646,3.0074245962492614,2.7183878297500974,2.718387829750094,2.449528976935501,1.8868705911454406,1.8309009989354699,1.6323041926988862,1.6323041926988844,1.623134666091544,1.3559734798180736,1.3559734798180723,0.9583306505234289,0.8772444401134429,4.005204335108514,3.7895085200414442,3.7895085200414433,3.17719467109229,2.980255025204753,2.9802550252047504,2.7029450418328747,2.2355590612637846,1.6864645768418502,1.447929821826557,1.4479298218265546,1.4401391578612066,1.1411513324558769,1.141151332455874,0.5915562379992967,0.44709050215211854,4.071636360110589,3.8908011662707724,3.8908011662707707,2.9972005916888182,2.7985140459657667,2.7985140459657636,2.57179418583046,2.4329448214883436,1.7735310767003236,1.5097048175817218,1.5097048175817172,1.4881619692926749,1.1611678930305085,1.1611678930304998,0.8337825106203659,0.5821102640370927,0,0,0,12,0,3,0,1,0,0.0,0.0,0.3535533905932738,0.5576775358252053,0.4398264056274473,0.0,0.0,0.10206207261596575,0.1609876377148447,0.1178511301977579,1.4771365148955498,0.0,0.16666666666666666,0.0,0.6298463194739086,0.0,0.05103103630798288,0.0,2.803355750864538,4.777877178211448,5.746479915208081,1.018326536222542,1.4348629302831628,1.4578524893289788,13.405412915006313,9.131030293135236,8.612261970670202,6.839118508681893,5.956820840979769,4.025264641297314,2.8904784349309525,2.17172239789233,0.705548048158227,0.4348109663397731,0.2870753990223401,0.17536201304312546,0.11031149705518091,0.07061867791749674,0.04379512780198413,0.03016281108183792,11.266196755718973,6.322821082744906,4.778256931000172,3.1369931193897593,2.2463457196559657,1.3482378310661984,0.8043509674011144,0.4858520887191194,0.5929577239852091,0.3010867182259479,0.15927523103333907,0.08043572100999383,0.04159899480844381,0.02365329528186313,0.012187135869713855,0.006747945676654436,22.47901974353753,35.09468317552805,33.85098039215686,34.279999999999994,23.829154491017984,262.63116047904197,0.6422577069582152,1.0027052335865156,0.9671708683473389,0.9794285714285712,0.6808329854576567,7.503747442258342,3.638860000000003,73.42200000000004,119.0930556324123,151.5676966004723,238.1861112648246,12.536111119201294,119.0930556324123,3.903127820947816E-18,2.0542778004988504E-19,-76.16103152995885,9000048.159906782,473686.74525825167,30.424206924135174,258,0.0,0.0,3.0,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,6.0,1.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.258951247165534,16.90736111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1905335884353745,0.0,0.0,0.0,0.0,3.1905335884353745,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.7956320861678,0.0,0.0,0.0,0.0,11.760816326530612,-0.12861111111111123,0.0,0.0,0.0,5.146544784580499,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.258951247165534,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.752983749055177,0.8344444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5237847222222223,0.0,0.0,0.0,0.0,0.5237847222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9318773620559335,0.0,0.0,0.0,0.0,1.9523091458805744,-0.12861111111111123,0.0,0.0,0.0,0.8344444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.752983749055177,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.752983749055177,1.967962962962963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5397264739229025,0.0,0.0,0.0,0.0,0.5397264739229025,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9318773620559335,0.0,0.0,0.0,0.0,1.967962962962963,0.0,0.0,0.0,0.0,0.8810704837490553,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.752983749055177,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,39.833333333333336,2.0964912280701755,0.8979166666666667,5.752983749055177,-0.04178854875283444,-0.12861111111111123,6.99484637755102,1.4619444444444445,2.252983749055178,13.517902494331066,1.4619444444444445,2.252983749055178,13.517902494331066,8.99999,0.47368,0.0,0.02632,0.58286,0.82105,0.4434,0.51064,0.82105,0.13946,0.07222,-0.06724,0.0,0.57692,0.13737,0.0,0.16667,0.38889,0.0,27.0,1.42105,12.0,0.63158,15.0,0.78947,3.0,0.15789,0.0,0.0,12.8625,0.67697,29.49386,16.63136,0.87533,3.79843,0.19992,9.13099,5.33255,0.28066,0.28301,0.0149,0.54101,0.02847,0.45714285714285713,99.03,0,3,3,3,0,0,0.25,1.3362862311688675,2.5790435607683557,2.8844708732224364,3.0558994446510077,3.227328016079579,3.2273280160795794,46.77001809091036,90.26652462689245,100.95648056278527,106.95648056278527,112.95648056278526,112.95648056278527,0.2605210565988164,0.5028078100288664,0.5623536201245619,0.5957751667349253,0.6291967133452886,0.6291967133452887,3.792996785776099,2.5502394561766106,2.24481214372253,2.0733835722939586,1.9019550008653874,1.901955000865387,0.24403785319641275,0.4709950901158435,0.526773428543866,0.5580803892624261,0.5893873499809862,0.5893873499809863,11.574444756148855,21.69150731451536,23.88369745712021,25.94084031426307,26.113610319748787,26.113610319748787,65.11046410095699,52.82393076983925,47.575792893117196,42.810461014483714,42.01623903471146,42.01623903471146,13.959183673469388,5.78,3.029585798816568,0,5,0,2.8899999999999997,1.955299999999999,0.3750000000000001,3.8414707724610793,5.331976748784507,0.0,4.173121304403092,14.436991527186446,0.0,7.671299534253984,0.0,0.0,0.0,0.0,0.75,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.31,0.336,0.9940000000000002,1.1380000000000001,8.271,30.0,39.0,54.0,57.0,66.0,72.0,63.0,54.0,27.0,502.0,3.3843902633457743,4.020877410340228,4.570837506907586,5.182836366672891,5.332114746131327,5.719491768361381,6.18826412308259,6.410996912427582,6.593044534142437,6.305818978475576,8.087928353229445,6.481947211155378,0.5,3.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.14285714285714285,6.0,0.2857142857142857,0,4.0,8.0,1.0,4.5,2.000000000000001,1.7916666666666667,0.4800000000000002,0.9600000000000001,0.36734693877551045,0.3386479591836736,0.0,0.0,0.0,0.21428571428571427,0.0666666666666667,0.07465277777777778,0.017777777777777785,0.032,0.015306122448979602,0.02822066326530613,0.0,0.0,0.0,0.4489097222222223,72.2813549963518,95.21208952921765,144.5627099927036,7.608563683826506,72.2813549963518,1.6653345369377348E-16,8.764918615461762E-18,-69.029537376981,3000102.868706744,157900.1509845655,28.336898557665506,39.42,226.07476450915036,5.247927513443585,4.634728988229636,5.484796933490655,6.3784261836515865,7.252053951852814,8.15162164696975,9.034676602846295,9.93532530938488,10.822753853011813,11.723113454244212,113.41749692368164,3.7612001156935624,0.0,5.093750200806762,3.4339872044851463,6.580639137284949,5.68697535633982,8.146419323098003,7.653020413804189,9.764972332679383,10.09559441006488,256.10994437200003,7.317426982057143,38.66239820906006,2.03486306363474,9.114079435370396,9.114079435370396,0.0,663.0,24.0,2.243,102.0,1.3979830405297675,2.401783932879576,3.4936930146383216,4.342371464463745,5.49546644765919,6.412284163518192,7.347388249003128,8.307966640518803,9.253827747093547,9.528528837740797,152.11933027505776,222.7566585099942,231.948636315855,305.69064035745214,418.13670856907925,371.2179329882505,266.6584908331642,126.09486483986377,60.59024813788486,9.681595124990265,409.2809702687715,585.8791853175973,727.9843909952574,898.5655416154326,1171.2823520835757,1230.9128063281516,1156.7319856913568,866.6024875152743,673.7219183517143,296.18235519508386,11.056634543641161,18.89817682891003,28.38666538041002,33.23288701318541,43.11496729962807,48.61844314775958,56.72816890193408,58.293638942059495,64.01376575574122,64.0170779693234,2.6784281283065456,3.868057752712047,5.0202869696223305,6.431948177313194,7.9662833255315615,9.028866001301168,9.083581677508139,8.236645222923325,7.201651980848412,4.236506885485402,197.5201608979991,356.63001351381473,542.5410713319488,656.6796550124793,843.9855669924765,985.0172141360478,1161.1419821241436,1341.9822599911868,1564.4539780231084,1761.9931799203741,4.657723236260818,7.59843225189759,10.436039690937204,12.419560490956622,16.484192823428145,17.053324068532078,18.805749504429855,14.14593444516878,13.869070388518,9.528528837740797,0.6080232161880597,0.9112480408177341,1.1871891920477267,1.458998980729298,1.8809939897376173,2.0321424195504387,2.0642860224592323,1.7762263526184257,1.5826493487623838,0.9757213529846576,427.03377688427116,513.3277199138265,18.81998559037126,201.49836577166965,-242.21666356842977,-26.494532278741595,225.5354111126015,755.5443834822563,45.314517869112855,0.6794143813867444,0.8167087807867648,0.029942757598434126,0.32058561861325524,-0.38536877771264494,-0.04215302683930473,268.40445477153,322.6429716821262,11.828965867869984,126.64819958013805,-152.24095853963837,-16.652665141824446,0.08305108218118927,0.26427358581120874,0.0,6.344596447885198,556.8223614571028,71.70978119883803,0.8859091264675509,0.11409087353244879,1367.104846132732,36.97438094319811,11.098576356476691,1523.371297202968,39.030389406243025,11.50628842514496,2824.032937849251,53.14163092951938,14.13480818300399,1.2600876016604607,1.1739575202727492,2912.201482020796,1924.4914177070693,1631.4005798811581,1.513231732407792,1.7850928324623618,1.1796559603082046,7.16291304663346,6.229267825858082,11.128699954102638,0.7865181374778439,4.952414623223292,7.846835411564732,9.378154507082353,12.530552800645257,11.430684857452434,12.614853132121887,11.553784384032614,15.880438688081288,13.841370846952515,15.066616872262705,13.832377510632783,14.080050116069515,17.04007214004656,13.54177597333814,11.640163752400175,13.254548310427698,8.02270347009055,7.7611374862751905,4.626427672640132,4.951888561385923,1.0170843163364638,1.0295669642851582E-6,1.071362358376766E-33,2.1502756381244936E-82,8.323917942500812E-153,6.214945875636581E-245,0.0,0.0,0.0,0.0,0.41567299428663534,8.32167145617415,3.5015020850613445,11.828987394074565,7.333441547845134,6.210161519765825,9.193906741576443,3.1649327860377925,8.694933614310301,7.749284337466808,4.030510250552652,3.7576635908904965,5.606588264859483,2.780764615527863,2.4744240004734297,2.861040750798366,0.5193755941667337,0.3306095201124816,0.21330048306689137,0.11639770305399531,0.00716340800235275,7.251324312296854E-9,7.545692690296365E-36,1.5144567137211654E-84,5.862603467655791E-155,4.377237196893057E-247,0.0,0.0,0.0,0.0,1.34171861272316,7.438625683789971,4.324696032059573,10.480593445430824,5.786694801211025,5.377013792375281,8.150914283312199,5.054775224566789,7.2499382611889045,7.3685048587305175,4.552780890049277,4.962314565772051,7.383362426329001,4.573135783290983,3.613937981753674,4.830852072429975,1.776484451424956,1.0072449412690303,0.803845830779269,0.5728841966505758,0.0746482343995001,7.556439013456495E-8,7.863193559253227E-35,1.578180660923836E-83,6.109284822400589E-154,4.5614186459243796E-246,0.0,0.0,0.0,0.0,4.674678589920892,8.319887522468143,9.117798562908378,13.31262170328328,12.524639695874056,13.971262488120427,12.688302842105784,14.968048512005698,14.568471582598152,15.753470678865838,14.306021958399555,14.55590215925497,17.028377325541143,13.413579453611973,10.950033267028676,12.564589892104701,7.46625306664871,7.009048548692435,4.246496649201144,4.468175699639622,0.9062038147352531,9.173256293255159E-7,9.545645729959862E-34,1.9158568809901657E-82,7.416461026758087E-153,5.5374048841502165E-245,0.0,0.0,0.0,0.0,1.9774199218331427,7.103062521882109,5.013522573336248,10.066932134351775,5.545391659303809,5.2648128094638125,7.8515749104539045,6.552182534262604,7.097934959723221,7.586241149738684,5.2488766627101064,5.7044637157636,8.616377188612747,5.752776970006787,4.580455221363837,6.228116130255867,2.720949162903792,1.721175170096129,1.3013616892371402,1.0437762551179968,0.1621459401070333,1.6413595278690194E-7,1.7079907142736177E-34,3.428019282486171E-83,1.327018299738247E-153,9.908010825938872E-246,0.0,0.0,0.0,0.0,5.980746321453049,8.146487668826643,11.052196018144343,13.488094730358974,13.597298993951753,16.032566325367615,13.284201743470254,19.898654468648093,16.778966048100514,18.465114133003386,17.447410600655257,18.285374038251717,20.44364999500894,16.84612694128701,15.002961206815094,15.870098089519923,10.19324093544753,10.883229562902242,6.157768363579196,6.955964714301554,1.4833218881922725,1.5015266570872276E-6,1.562481311372962E-33,3.135974931918005E-82,1.2139652024236781E-152,9.063914469227277E-245,0.0,0.0,0.0,0.0,2.8915948045380238,8.142093878778473,6.514798985079169,13.795227036409726,12.978169891119917,12.370574565209017,12.916490197340538,8.805189332180417,12.962167387471542,13.833867048081155,10.799895143119445,10.394618232908371,12.484754801337496,9.221254260043441,6.4327009472891925,8.465965583350352,4.022327457470746,2.884236161763073,2.0758132084282326,1.7887708068971513,0.30260359824966143,3.0631744391955103E-7,3.1875243720300453E-34,6.397514295246424E-83,2.476537569669662E-153,1.849074805974519E-245,0.0,0.0,0.0,0.0,9.158164346356457,6.920535949299928,2.145560820492997,0.5025259618476918,0.3797430197687034,0.4405577593377137,0.4340966865115693,0.5749206750002861,18.224261116149382,97.87723498736625,252.08586556045782,0.3234034724245929,1.449575120849569,6.260889814464459,5.119752120799506,1.270089868896221,0.49490337091847675,0.4047000758577364,0.20462832493704372,0.2323460044243658,0.20373372471312995,12.650731804160186,46.50864192921068,99.8710933695296,0.34940517016431977,0.6407080540745395,7.480456317076557,5.872081615859557,1.527335550044274,0.5027231129103825,0.3946324962087916,0.2929033406087106,0.31180313835590256,0.29379327476768735,14.879873482980388,64.31965588603376,146.28904166703012,0.3460334136787612,0.8984997537323005,8.863559740533828,6.741219632115944,2.0985485678078595,0.5006719510786346,0.38078827070192556,0.4123350749380594,0.4107803403160966,0.5512695076324288,17.703327940457633,92.49859033675095,235.59271961772225,0.3221903326708403,1.3743849228865848,8.106125546419408,6.257121480662023,1.6852014808447962,0.5051033775891697,0.389889494774007,0.3445852598991675,0.355637022627729,0.35634907191726595,16.048448507926228,74.9259774412213,176.44955095578416,0.34248930854476506,1.0565713544441624,9.364579456852066,7.051155436216214,2.2415850925644722,0.5019252209890461,0.3779297048904142,0.46076942150200384,0.4503750490229237,0.6269620757339803,18.657319985632753,102.82837196485342,269.50003333752943,0.3197823888191906,1.5381065462589079,9.006237578089706,6.830060956250923,2.1112727118469996,0.5018081530113878,0.3805562804327491,0.42588624766597244,0.4223398518279788,0.5573533893937562,17.94757124618763,94.94789659704638,242.76650633067075,0.3235466501662054,1.4055794888877076 +UMLCN0007,L,2-butyltetrahydrofuran,CCCCC1CCCO1,Cyclic Ethers,,C8H16O,Marquardt (2015),IQT,PubChem,,45.5,0,-1.5816000000000001,2.5014585600000006,30.1859,25.550687999999976,0,0,25,9,16,0,8,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1426.3379929999983,1587.8902329999996,1970.7577419999982,1351.448497999997,1068.0017529999973,871.2450240000001,509.542322,135.29577600000002,12.192768000000001,4101.865901853882,5405.863178325248,7496.490052231543,6703.725175412934,5201.5665640767675,4194.76821912165,3050.906874655759,1582.5385857382093,373.00493317116315,181.17126800000005,186.733492,363.94100799999995,464.3019679999997,362.73405999999994,299.8491600000001,236.8007120000002,165.23481600000005,80.62156799999998,30.06821047758398,40.01768896000001,59.21183647164104,59.00453550207408,46.50607188837608,37.48454302898003,28.32737356073498,17.360023767886,5.335354858188001,4158.488566910484,3644.207912866401,7701.710964429992,10687.465962207776,8531.363909007277,7052.408753968682,5573.499442899885,4120.0726054684865,2219.011824290988,47.52777777777778,51.25,91.83333333333334,103.00000000000001,76.33333333333334,65.5,52.0,31.0,12.0,57.05351971999993,63.51560931999998,40.219545755102004,21.116382781249953,20.941210843137203,20.743929142857144,15.440676424242424,5.6373240000000004,1.016064,164.07463607415528,216.23452713300992,152.98959290268454,104.74570586582709,101.9915012564072,99.8754337886107,92.45172347441694,65.93910773909205,31.083744430930263,7.246850720000002,7.469339680000001,7.427367510204081,7.254718249999995,7.112432549019607,7.139265714285717,7.175779151515158,6.8847840000000025,6.718463999999998,1.2027284191033591,1.6007075584000003,1.208404825951858,0.9219458672199075,0.911883762517178,0.8924891197376197,0.8584052594162115,0.7233343236619166,0.4446129048490001,166.33954267641937,145.76831651465602,157.17777478428553,166.9916556594965,167.2816452746525,167.91449414211147,168.89392251211774,171.66969189452027,184.917652024249,1.9011111111111112,2.05,1.8741496598639458,1.6093750000000002,1.496732026143791,1.5595238095238095,1.5757575757575757,1.2916666666666667,1.0,0.17955205012973924,-0.04151459598057609,-0.04130113586009875,-0.0244785798341528,0.01409844861588921,0.013414822746841262,-0.025051113654511334,0.003282126685044358,0.011774002216694545,768.7745440000008,27.447011200000517,-191.25795115999955,-252.99093175999974,15.010935359999745,13.164597919999732,-153.62771252000016,-45.885353360000295,203.75213231999967,1217.0821791610597,-57.739171896694295,-399.0588677973967,-227.54406488147492,9.267178905555959,9.021139293277876,-128.2878998297665,-134.54390985262722,320.344506478596,1.10707456,0.056513920000002466,-0.13722949759999573,-0.3839908735999984,-0.014320742400001698,-0.029029580800000954,-0.20728641920000035,0.0607671423999971,0.1010387711999977,5.405687815450234,-0.5874385126399866,-2.0006916780980983,-0.4381954913858151,-0.03349712962633139,-0.03406850407016587,-0.17028048736299972,-0.7173860547132742,1.2787139501715588,29.769714222906217,-3.7505236637801387,-11.301355629517968,-1.5162072317931305,-0.32341757393253023,-0.332610272200202,-0.2959590006668755,-4.068450164746972,6.703666425184747,6.993333333333335,-0.31999999999999873,-1.0435999999999996,-2.48293333333333,-0.14306666666666823,1.1711999999999996,-1.454533333333333,-0.12026666666666742,0.8965333333333326,0.0071820820051895695,-0.0016605838392230435,-8.428803236754847E-4,-3.824778099086375E-4,2.7644016893900415E-4,3.1940054159145865E-4,-7.591246561973132E-4,1.367552785435149E-4,9.81166851391212E-4,30.75098176000003,1.0978804480000206,-3.9032234930612155,-3.952983308749996,0.29433206588234795,0.31344280761904125,-4.655385227878793,-1.9118897233333456,16.979344359999974,48.68328716644239,-2.309566875867772,-8.144058526477483,-3.5553760137730457,0.1817093903050188,0.2147890307923304,-3.8875121160535304,-5.605996243859468,26.695375539883,0.044282982400000004,0.0022605568000000987,-0.0028006019918366473,-0.005999857399999975,-2.807988705882686E-4,-6.91180495238118E-4,-0.006281406642424253,0.002531964266666546,0.008419897599999808,0.21622751261800935,-0.023497540505599462,-0.04083044241016527,-0.006846804552903361,-6.568064632613998E-4,-8.111548588134732E-4,-0.005160014768575749,-0.029891085613053092,0.1065594958476299,1.1907885689162487,-0.15002094655120554,-0.23063991080648913,-0.023690737996767665,-0.006341521057500593,-0.007919292195242905,-0.008968454565662894,-0.16951875686445717,0.5586388687653956,0.2797333333333334,-0.012799999999999949,-0.021297959183673464,-0.03879583333333328,-0.0028052287581699655,0.027885714285714274,-0.044076767676767666,-0.005011111111111142,0.07471111111111105,-0.2312120410241978,-0.11735877188069466,-0.053254447614531526,0.03849025515710574,0.044471859463685995,-0.10569701872643492,0.01904117475193118,0.13661315071065028,0.03570228933074622,-0.1269300448201759,-0.128548198545385,0.009571468910472523,0.010192936604930071,-0.15138980811124478,-0.06217329053930484,0.5521561715498203,-0.04744065181900385,-0.1672865371361205,-0.0730307302713072,0.0037324798895312043,0.004411966473381145,-0.07985311474064163,-0.11515237713290048,0.5483478436576124,0.051047980002360875,-0.06324330115210684,-0.13548900897876234,-0.0063410108210839155,-0.015608264343959767,-0.1418469647253084,0.05717691378136595,0.19013844921158263,-0.10867044725760942,-0.18883093051297742,-0.03166481670165177,-0.003037571192069918,-0.0037513952271488737,-0.02386382151882543,-0.1382390485426298,0.492811920913503,-0.12598453702636853,-0.19368670209556793,-0.01989499951139848,-0.005325480293510114,-0.006650460377235859,-0.007531525578739133,-0.14235840122208954,0.4691335501094201,-0.0457578646329836,-0.07613665103791752,-0.13868863203050502,-0.010028224826632381,0.09968677652185749,-0.1575670913135164,-0.017913886240864423,0.2670797585001586,1.2246395900029305,1.4835461113394495,1.2830572486741285,0.7200268956620574,0.8332687534046409,1.1620257612538418,0.16873105136947777,0.03829435026211395,1.229300494840526,1.271257743626934,1.1004528812806262,0.8835098461049241,0.8928571428571423,1.063344432108421,0.7873960574324109,0.0,1.4477652314385052,1.2942552600737245,0.9841845153666315,0.9093864082427845,0.892857142857143,0.9492145035037439,0.9248652937897917,0.0,0.879456863320931,1.437269712614367,1.3901746599614753,0.7554562114959775,0.8928571428571427,1.2126439548274617,0.10711112357238148,0.0,1.5636540318664907,1.3359429879532574,0.9375590324710379,0.9105211911789738,0.8928571428571439,0.8838070330313722,0.9308938281382941,0.0,1.589619394830338,1.3514741849043463,0.9302723343865256,0.9081318395882864,0.892857142857143,0.8681308273236913,0.9182003978127701,0.0,1.037178265014299,1.3579502344312364,1.3122616777883696,0.779453821566758,0.7898679014026961,1.2479417627177394,0.3932316491897043,0.0,43.420033296975475,21.835016648487745,34.33221740388265,43.61447774141995,4.846053082379994,21.835016649790436,0.25000000000001776,0.20910919946548429,0.02323435549616492,-1.4084088101860976,43.4907196187174,4.832302179857489,3.3952928159119726,43.426202561700656,21.837734070399662,34.33614663941349,43.6200757898885,4.846675087765391,21.8377340716985,0.24926557909866887,0.20900504808514048,0.023222783120571164,-1.4088571864124393,43.482269292210965,4.831363254690107,3.3951179272718335,49.15471136867818,24.377858445310075,38.16303050248322,48.844382330188594,5.427153592243177,24.377858445403906,-0.39899447805803234,0.10543345327919224,0.01171482814213247,-2.024707769723544,42.47443229905736,4.7193813665619295,3.374012071743625,43.432678122737684,21.840586461478317,34.34027141451319,43.62595185624131,4.847327984026813,21.84058646277312,0.24849480021894976,0.20889570020165882,0.02321063335573987,-1.4093281743098425,43.473424878983444,4.830380542109271,3.394934846175004,56.019830828621465,27.294674226401035,42.9028467034023,55.41855623732195,6.157617359702439,27.294674226406567,-1.0822942643391364,0.013767602179182659,0.0015297335754647398,-3.856893403579002,65.44506976057066,7.271674417841185,3.763090045066554,44.07010687438819,22.12162053013324,34.74858795515665,44.204766796737964,4.911640755193108,22.121620531088578,0.17313418587829332,0.1980089826129594,0.0220009980681066,-1.4574985943260703,42.72135975010895,4.746817750012106,3.3792291211516914,44.24404291317445,22.302107660360086,35.49138949457077,44.502806140687674,4.944756237854186,22.302107661274913,0.4657738095238102,0.19856139025333164,0.022062376694814628,-1.4549912602844457,39.7185707504277,4.4131745278253005,3.3136369698675674,0,11.996777201908445,15.997418077349703,-0.39976779712906885,0.07012236651918664,5.144307133230125,7.761821830415567,9.0,25.0,25.0,25.0,9.0,0.0,0.0,0.0,0.0,0.0,19.407311999999994,3.631728118287912,3.2787229743631885,2.7694629764512033,2.3482436898576426,2.2131612804409486,1.6863842386992633,1.2471034314715208,1.0842826865039166,1.871790193130977,1.6981607494081326,1.5228319959337058,1.2150434773003864,0.8800536336833658,0.6364815945457383,0.58375215953825,0.4333903570344933,3.600088085511591,3.300351912741194,2.8140053704168477,2.3663104463529887,2.165353982593511,1.7288471765229638,1.3605484494083873,1.173022276779122,1.8180366867149498,1.6309284495769272,1.4993592294899312,1.142642829923009,0.7538179325270693,0.4923490876797437,0.4400722829348262,0.30392276703309684,3.7475158768369763,3.458184584168007,3.0097220807019474,2.622858778363193,2.485433816699974,2.112097923691018,1.8188935892647673,1.6663154140642886,1.6350692394411317,1.417650795720002,1.2322926883459575,0.8119621452396654,0.33731193207148813,0.005734462249688697,0.07460689262537006,0.23053202258471547,3.603706076555473,3.3213230452490414,2.846868191115469,2.4036781285643314,2.1775536342592154,1.7752494328084685,1.4424113596261108,1.2510285380933854,1.7857361390335482,1.589605015075939,1.4841582408235743,1.0905594826712541,0.6699740425218517,0.39587484545679885,0.34616916673718523,0.2172293618734171,3.785025215577029,3.526437478711755,3.1038199069188157,2.7312590150831126,2.5802802175833275,2.2595859490621653,2.014151079789832,1.8602370901231176,1.5827632846050408,1.3521647849065572,1.1786954542338983,0.7171504681752611,0.19477555372566552,0.16680463184648586,0.2510727572815266,0.4090795881915765,3.8218470040916586,3.4468488819408694,2.9538383858247665,2.692304485073181,2.463442429185032,2.0137624949690713,1.6089140003128213,1.5027665764713065,1.7175903179325913,1.5018815369268517,1.2554794488233902,0.8828902936204807,0.498451001056836,0.21993318687653354,0.13744676395384797,0.019677259790457768,0,0,0,0,0,2,6,0,0,0.0,0.0,0.14433756729740646,0.10206207261596577,0.07216878364870323,0.0,0.0,0.08333333333333333,0.05892556509887897,0.041666666666666664,0.20412414523193154,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.4330127018922194,0.6123724356957946,0.39073720721077865,0.25,0.3535533905932738,0.2255922317655456,6.52709773749546,4.431851652578137,3.2927109793486995,2.4406706976806576,1.791837385503403,0.9010475702906074,0.49279927982674443,0.24639963991337224,0.72523308194394,0.49242796139757083,0.32927109793486997,0.22187915433460523,0.1493197821252836,0.11263094628632593,0.0821332133044574,0.06159990997834306,6.228239246772775,4.047980757104602,2.7772563302029174,1.9036431898071957,1.3038035137908175,0.6674973062581872,0.35815642136354797,0.17276101541424888,0.6920265829747527,0.4497756396782891,0.27772563302029174,0.17305847180065415,0.10865029281590145,0.0834371632822734,0.05969273689392466,0.04319025385356222,13.049421534703852,24.433357611070644,23.152941176470595,23.479999999999997,14.86867544910179,192.38056167664672,0.521976861388154,0.9773343044428258,0.9261176470588238,0.9391999999999999,0.5947470179640716,7.695222467065869,2.3556000000000004,38.499,34.484946128795166,51.837294267610396,68.96989225759032,7.663321361954481,34.484946128795166,0.14713664663089276,0.016348516292321418,-1.7247541995606506,45.42740456760696,5.047489396400774,3.434503992998641,86,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,6.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.455,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.5636111111111113,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2311026077097504,0.0,7.531536281179139,0.0,0.0,0.0,0.6156944444444442,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.455,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.455,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2277777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2311026077097504,0.0,1.0083144368858654,0.0,0.0,0.0,0.6156944444444442,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.455,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.455,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2311026077097504,0.0,1.337962962962963,0.0,0.0,0.0,0.6156944444444442,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.455,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.833333333333332,1.759259259259259,0.45,5.455,0.036388888888888804,0.6156944444444442,4.855706952947846,0.717638888888889,1.955,4.372205215419502,0.717638888888889,1.955,4.372205215419502,4.33333,0.48148,0.0,0.01852,0.47467,0.78519,0.43333,0.47467,0.78519,0.04133,0.0,-0.04133,0.0,0.61321,0.10108,0.0,0.11538,0.11538,0.0,5.0,0.55556,5.0,0.55556,0.0,0.0,-5.0,-0.55556,0.0,0.0,8.26688,0.91854,9.2991,1.03222,0.11469,3.96036,0.44004,4.43185,0.47149,0.05239,-0.01785,-0.00198,0.06815,0.00757,0.2,9.01,1,1,1,1,0,0,1.0,1.1238561897747248,1.619470570797252,2.964889451733241,3.733660689688185,3.7794705707972516,3.973660689688185,28.09640474436812,40.4867642699313,74.12223629333103,93.34151724220463,94.48676426993129,99.34151724220463,0.24200925779082827,0.3487340056660569,0.6384541920702909,0.8040000674244193,0.8138646883853213,0.8556812543932264,3.5199999999999996,3.0243856189774725,1.6789667380414834,0.9101955000865392,0.8643856189774728,0.6701955000865394,0.24200925779082827,0.3487340056660569,0.6384541920702909,0.8040000674244193,0.8138646883853213,0.8556812543932264,9.698823505695543,15.646196077965874,21.22737688368195,22.002163781174573,22.927706123509232,23.123415786294572,33.32875243896086,25.354266389983067,18.82897418175093,16.982380734749178,15.825005159393516,15.187295782929397,7.111111111111111,3.92,2.3801652892561984,4,0,4,2.23,1.1859000000000008,0.0,1.8731847975721563,0.25,0.0,6.409925916482373,3.5327755290014426,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.42000000000000004,0.41400000000000003,0.42300000000000004,0.246,4.252999999999999,10.0,11.0,12.0,8.0,6.0,4.0,2.0,0.0,0.0,71.0,2.302585092994046,2.3978952727983707,2.4849066497880004,2.5649493574615367,2.1972245773362196,1.9459101490553132,1.6094379124341003,1.0986122886681098,0.0,0.0,4.276666119016055,1.0,0.5,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.3333333333333333,4.0,0.4444444444444444,0,3.0,6.0,1.0,1.0,0.44444444444444464,0.2222222222222222,0.125,0.08000000000000002,0.05555555555555554,0.0,0.0,0.0,0.0,0.1111111111111111,0.04444444444444447,0.037037037037037035,0.025,0.020000000000000004,0.02777777777777777,0.0,0.0,0.0,0.0,0.26537037037037037,22.78262294485209,35.72395513004864,45.56524588970417,5.062805098856019,22.782622945326956,0.17164327252514577,0.019071474725016198,-1.5861032575429974,41.71026418036488,4.63447379781832,3.3576725177374156,9.23,143.35810370749454,4.169925001442312,3.6635616461296463,4.394449154672439,5.153291594497779,5.910796644040527,6.680854678790215,7.44716835960004,8.220672170297252,8.990566138131577,9.765316843477462,78.22667722963693,2.9444389791664403,0.0,4.07753744390572,2.3978952727983707,5.37989735354046,4.442651256490317,6.7650389767805414,6.259581464064923,8.19946419761216,8.598220030058611,128.120115132,5.12480460528,17.59254001617014,1.9547266684633489,2.987216623806632,2.987216623806632,0.0,99.0,6.0,2.482,38.0,1.2882232903478428,2.2117146554562024,2.9337325538899433,3.670699290716348,4.700116129799274,5.489305792946174,6.557189963213127,7.2515268922017375,0.0,0.0,98.5243609790928,99.13398679947878,69.71871780644496,88.66714724513658,107.88235757032851,95.41217622102414,38.41232162469133,7.368015420198064,0.0,0.0,308.4411083345141,359.95983311824756,330.63456862057416,413.6562943109404,498.3195777301366,547.411491215167,443.2914924406823,225.40460865121676,0.0,0.0,9.76754512799057,16.587998180465906,21.407128743489814,26.120627745769994,33.60323542988906,39.43127146587161,45.196925759351,48.719122370289234,0.0,0.0,2.1930064749190343,2.778431340743122,2.8417826973474907,3.6162439846433347,4.371342380137945,4.9927833774294665,4.830332414769251,3.2241224361324545,0.0,0.0,185.8725157229396,344.9930329317069,486.61655795117133,604.5579446745041,784.444792305695,916.9108669250336,1121.521695467832,1340.9353264966444,0.0,0.0,2.8347145853530655,4.339132590809196,4.857586870708581,5.587584573838832,7.43979188633628,8.798825261864481,8.570332048839425,7.2515268922017375,0.0,0.0,0.4831593665270973,0.6317041853992089,0.6439086789817922,0.7995703705434487,0.9818380610510109,1.1173910692017734,1.0653578488717745,0.7425563537614578,0.0,0.0,349.969232819698,219.79699354024464,12.188322030652468,41.06763547850396,-25.79238962595399,-8.133105709122898,308.901597341194,245.58938316619864,20.321427739775366,0.8949775870054634,0.5620876478906051,0.03116924008648141,0.10502241299453653,-0.06595897143459346,-0.020798820695650234,136.85087280253904,85.94872801533738,4.766083276676324,16.05895956592632,-10.08577526526008,-3.180344186033645,0.09546921337117517,0.600912568765043,1.7698346698859504,11.260556476313978,372.2977753558527,18.739092942349256,0.9520784497280217,0.047921550271978336,577.9491435838677,24.040572863055232,8.329709869447612,732.9417208924698,27.07289642599162,9.01619192522366,984.3840994017839,31.374896006230585,9.947673671109184,1.7260412762352595,1.6685483296675179,730.15613246425,687.7823436318309,157.47089483324237,1.0616093001292597,4.63676880249818,4.3676791470587295,4.588341642603455,4.709175068153331,8.364828790512561,0.7762832490729142,4.462441666978069,4.94575979304519,12.969438254690191,14.829860901413532,12.056182034586751,7.049739567371715,8.254302442702393,11.898303441955228,8.768042367388333,6.52177773966825,3.042362327651626,6.340242382702041,2.526879951882591,3.195230931603183,0.4059634636210585,0.16088782647546845,3.011038806679832E-18,1.086974036891209E-56,7.568292243148712E-117,1.0163716000992092E-198,2.632588948483043E-302,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3745318713547998,4.788069441107301,1.7954047384298657,6.670814890336304,1.7572423002683413,1.167831237137508,2.639317617387338,1.469723335674052,1.2046294196186256,1.5047919242590468,0.151680731100378,2.119210163123452,0.05668685479187448,0.19328255131393182,0.002859233868242073,0.001133146116905744,2.1206992513892883E-20,7.655647018566935E-59,5.330410109207024E-119,7.158388283412498E-201,1.8541539218552302E-304,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2089614013196603,4.476693895156558,3.4747990999040725,6.355236668537063,2.193484065653329,1.895815330966433,2.8910479636307245,2.837083122813355,1.9777973238006903,2.229506734098961,0.5135849243409019,2.6009994360799014,0.2853741932470979,0.6732742986821443,0.029795421386093403,0.01180825619840621,2.2099321267193627E-19,7.97777444683443E-58,5.554698310573359E-118,7.459592505953506E-200,1.9321713425919456E-303,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.212182764440167,5.087611569620714,12.43258532170452,14.4874743190984,11.849392432932195,6.621799063150134,8.107729232377533,11.245232653894625,8.04757532190268,6.450087928117215,2.7846865796843008,5.947468418302056,2.2781824997932616,2.9644842045651876,0.36170613730607293,0.14334815683882662,2.6827813673867166E-18,9.684742974868379E-57,6.743212132574729E-117,9.055687973991347E-199,2.3455893571714694E-302,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7817711180570608,4.379023738683179,4.738612970854447,6.75290405296433,2.8847149494797466,2.5107006312838513,3.3382398212184152,3.937222198737168,2.7381687389065035,2.7293404862527617,0.8297619317113846,3.0445071263999,0.5241719576066989,1.0421957221469653,0.06471963671168321,0.02564911036039294,4.800267885011964E-19,1.7328792141620156E-57,1.2065546986168392E-117,1.6203231723121502E-199,4.1969343456503286E-303,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.389037767640441,5.214758943615893,16.503660137876526,19.047513841769746,16.717211010054772,9.217485947820995,10.480582520908248,15.63069595674798,11.781710288199431,8.259213849074655,4.088060347233896,7.947069400198379,3.558369084464859,4.102912652979816,0.5920595586056914,0.23463977442348333,4.391317117379519E-18,1.5852494772761755E-56,1.1037642956623466E-116,1.4822824585431017E-198,3.8393835665124265E-302,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.972793856444677,5.24862126180032,8.656183676720552,11.82227747187601,8.899358176864125,4.218630135052908,6.605204030928763,7.356585614734816,5.09547917859405,5.0596978223928915,1.5768599078671803,4.722888778275247,1.1695910272472787,2.1940833425560196,0.1708071256738729,0.06769275971502543,1.266879731663684E-18,4.5733896658096165E-57,3.184321645035543E-117,4.276333394135461E-199,1.1076488198146332E-302,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.2456123677924245,1.271960323536179,0.8292065195159595,0.7482661527308407,0.1523893577876821,0.5705224624369257,0.45701412793710067,0.43422373949989396,8.346779210844563,14.177791414603629,29.111929116951845,0.6223992290962612,1.4617603298739203,4.966124925369481,0.7983395831256872,0.4614775884928011,0.7976503552405392,0.12822791646454818,0.3622592827811714,0.22495992950812713,0.10892796971709871,6.2259420969879695,6.624825283002247,14.680366394498254,0.6964755328608089,0.6961471820063972,5.628806645051201,0.9576521843538921,0.5925335766968586,0.7840663879609158,0.1333964615340606,0.46391738845175373,0.2701075573813126,0.21332261279485515,7.178992406101951,9.29313698689299,19.66614548115182,0.6760995819413737,0.9473475586279214,6.144424685267148,1.2544916008330642,0.8268899847523182,0.746969291878343,0.15250682541336433,0.552204270662187,0.45003399226041385,0.4225544426281071,8.22580627085253,13.826218934616065,28.425800008734832,0.6204539378175146,1.424792705550708,5.899696755784094,1.0507067608043732,0.6487989052432496,0.776357363351038,0.13826539977219218,0.5094092845076723,0.3159254090448127,0.26663901673765894,7.599202421831716,10.708265460559403,22.329275798833933,0.6645360450265569,1.091973710290144,6.302498824378452,1.3113961972767882,0.862276701218921,0.7435548771823791,0.15471562400485564,0.5809037668047644,0.4849472071135563,0.4686677395366707,8.476171722874161,14.830357274331373,30.433308871762996,0.6153323157735687,1.5345187134549916,6.20248024427729,1.259601544789873,0.825077966633389,0.7484446332786988,0.1519943601815352,0.562636642594326,0.45012418268230575,0.4253192704167554,8.287159755700552,13.969452966595922,28.702661148809863,0.6226669499180482,1.4380800956933872 +UMLCN0008,L,tris(5-methyltetrahydrofuran-2-yl)methane,CC(CC1)OC1C(C2CCC(C)O2)C3CCC(C)O3,Cyclic Ethers,,C16H28O3,Kessler (2017),IQT,UML,,59.8,0,-2.6449000000000016,6.995496010000008,63.2132,49.236203999999965,0,0,47,19,28,0,16,0,3,0,0,0.0,0.0,0.0,0.0,0.0,3104.579730999998,3655.9442130000034,5595.865182000007,4827.146976000021,5383.504035000016,5798.79977400002,4878.71827200002,2875.390571999999,1150.5871469999934,8295.787602948392,11381.755797069398,17721.75379239944,18722.80046247555,18770.649606918898,19928.01884059602,19700.809308461758,15809.587051974864,9424.603888404614,348.8203959999999,372.6047400000002,755.3862000000006,1049.457456000002,1002.0481560000015,1076.6283120000019,1098.1974240000013,1093.5279840000019,830.2369080000021,59.001173335772044,81.04878067999996,129.60020836873483,147.20812897856413,148.86086051965816,154.16230800475225,158.69589149711123,140.59564506984606,96.50870574548674,7762.757811526473,7109.406647801202,15357.171081359827,22572.4340701871,21823.71214548679,23489.294544614273,23853.551938637724,24946.490611971454,20298.812722294253,102.69444444444446,105.41666666666667,209.16666666666669,267.33333333333337,257.66666666666663,268.0,283.0833333333334,253.00000000000003,161.99999999999997,66.05488789361698,74.61110638775517,56.52389072727279,34.97932591304363,39.87780766666679,40.26944287500014,33.18855967346953,19.16927047999999,9.588226224999945,176.5061192116679,232.2807305524367,179.0076140646408,135.67246711938805,139.04184894013997,138.38901972636125,134.01911094191672,105.39724701316577,78.53836573670512,7.421710553191487,7.604178367346943,7.630163636363642,7.604764173913058,7.4225789333333445,7.476585500000013,7.470730775510213,7.290186560000013,6.9186409000000175,1.2553441135270649,1.654056748571428,1.3090930138256043,1.0667255723084357,1.1026730408863568,1.070571583366335,1.0795638877354505,0.9373043004656404,0.8042392145457228,165.16505981971218,145.08993158777963,155.12294021575585,163.56836282744277,161.65712700360584,163.1201010042658,162.26906080705933,166.30993741314302,169.15677268578546,2.184988179669031,2.1513605442176873,2.112794612794613,1.9371980676328504,1.9086419753086417,1.8611111111111112,1.9257369614512478,1.6866666666666668,1.3499999999999999,0.4907158700506742,-0.1367839595398959,-0.02851448711670287,-0.31714988481331763,0.43758363130996,-0.10499418888873473,-0.09755885797471951,-0.11243793409248616,0.06026393552000358,1571.878675489359,154.7690148302408,111.64002509687737,-861.5372806283413,281.81130746672727,373.3469990113175,-860.4407803390704,-1155.8286056469042,-87.64278999411829,2330.2167542952257,9.488188304882826,-229.67282637475586,-412.81285037155203,-148.12339618511874,403.4739722518787,-834.0715728523569,-1061.1568887819506,-561.5117995492183,3.083785872340423,0.09431957990040926,-0.25508896514259405,-2.2047751996378406,2.5563183666817535,-0.48186139610683154,-1.5308726645540953,-1.5118778053417867,0.6945151344499697,10.395277233439737,-0.8475935170071105,-2.693075661264008,0.7064998410331771,-1.1459810666174217,0.43239493396010875,-2.12126148374478,-1.998918834800509,-3.344559663004282,57.788094891890665,-6.152714759812304,-17.722508630108543,7.3706615333917,-5.858772684032463,-0.3573929100028279,-9.33652999236218,-6.6150239446078265,-19.300217150610752,18.69385342789601,-2.6382727227000635,2.419684623509888,-15.430888788290304,13.65772596951868,-2.7038629847593176,-2.311981288667565,-10.99102157839139,3.480232382676924,0.010440763192567535,-0.002791509378365222,-2.880251223909381E-4,-0.002298187571110997,0.0032413602319256293,-7.291263117273245E-4,-6.63665700508296E-4,-7.495862272832411E-4,5.021994626666965E-4,33.44422713807147,3.1585513230661384,1.1276770211805796,-6.243023772669139,2.087491166420202,2.5926874931341493,-5.853338641762384,-7.705524037646028,-0.7303565832843191,49.57907987862182,0.19363649601801686,-2.319927539138948,-2.991397466460522,-1.0972103421119905,2.801902585082491,-5.67395627790719,-7.074379258546337,-4.679264996243486,0.06561246536894516,0.001924889385722638,-0.002576656213561556,-0.01597663188143363,0.018935691605050025,-0.0033462596951863302,-0.010414099758871398,-0.010079185368945245,0.005787626120416414,0.22117611134978163,-0.017297826877696133,-0.0272027844572122,0.005119564065457805,-0.008488748641610531,0.0030027425969451995,-0.014430350229556325,-0.013326125565336727,-0.027871330525035685,1.2295339338700142,-0.12556560734310826,-0.17901523868796507,0.05341059082167898,-0.043398316178018245,-0.0024818952083529716,-0.06351380947185156,-0.044100159630718845,-0.16083514292175627,0.39774156229565977,-0.0538423004632666,0.0244412588233322,-0.11181803469775582,0.10116834051495319,-0.018776826283050815,-0.015727763868486837,-0.07327347718927593,0.0290019365223077,-0.2673664105658879,-0.027586596600138822,-0.22011681796853774,0.3104524230789044,-0.06983457993246772,-0.06356486477738904,-0.071794198705402,0.048099880574266556,0.09444234755452248,0.03371813666152508,-0.1866696977895581,0.062417084951677415,0.07752272110910123,-0.1750179072040566,-0.2303992257268936,-0.021838046377005753,0.0039056089078714764,-0.04679246861415203,-0.060335881056767925,-0.02213051038458462,0.056513807677392044,-0.11444254899038099,-0.14268879688500963,-0.09437982729205821,0.029337251311908508,-0.039270833660536485,-0.2434999476333575,0.2885989956111666,-0.051000365195393776,-0.15872136034382978,-0.15361692800703378,0.08820924633561686,-0.07820838684671635,-0.12299151247031388,0.023147002785311694,-0.038380042897968744,0.013576251877385058,-0.0652437107311977,-0.060251197491495656,-0.12601419906943853,-0.102124556211218,-0.14559601305553757,0.04343970455013528,-0.03529655829946886,-0.0020185658483951666,-0.051656817044438086,-0.035867379025409714,-0.13080984468278994,-0.13537006329563095,0.061450100115923716,-0.28113238669947266,0.254356974742685,-0.047208609969438216,-0.039542671320820275,-0.1842238381283582,0.07291653493518792,1.223873406925847,1.3714831951085815,1.7985064311397,0.7343704103703526,1.312902227101131,1.2800413779388307,0.9831179860014955,0.07284674334052424,1.0407575020555782,1.0863868814629718,1.2751738287791088,0.9438039480470206,0.957713816604199,1.207494947213287,1.1740365611013048,0.7971564298751654,1.3113956649111767,1.168505423061394,1.0275372158744278,1.0393103081042987,0.9302530097704041,1.1124027095105664,1.0765538688104044,0.999936475781062,0.8540333037896354,1.3409235865598168,1.7995036716957267,0.7257711582762506,1.2797497394562976,1.3604276579206065,1.0872529737142123,0.07959716081509538,1.4765530784977072,1.2841497789726812,0.9508516293572976,1.0655556722712882,0.9773198299546275,1.0727614100289682,0.9846268557811465,1.0020407454530562,1.5142698466744893,1.3231561316651206,0.9476473847906987,1.0653908478435954,1.0003371844755207,1.0672434015746814,0.9573981898812672,0.9791384614997444,1.0657461593552995,1.1661406987995657,1.7325956370534281,0.7306158007517475,1.2061426388449772,1.2094265970694305,1.145593423964589,0.25119664875118514,131.54256620744792,66.14628310372392,86.84088810968738,132.21361883902676,6.958611517843513,66.14628310372392,0.7499999999999147,8.881784197001252E-16,4.674623261579606E-17,-65.84898215319481,3000099.900184896,157899.99474657347,28.336896677665205,131.5802843262863,66.16404053179119,86.86505171768937,132.2493656175512,6.960492927239537,66.16404053179119,0.747796737296099,6.192962809237201E-16,3.259454110124843E-17,-66.53410095538857,3001719.446129417,157985.23400681143,28.337922079194882,165.94690444386032,82.37496050484313,109.04986209887855,164.87591926591517,8.677679961363953,82.37496050484313,-1.196983434174058,4.440892098500626E-16,2.337311630789803E-17,-67.16596179625871,3000107.9907854167,157900.42056765352,28.33690180153467,131.6198733736074,66.1826788871321,86.89041454527151,132.28688573208984,6.96246767010999,66.1826788871321,0.7454844006568067,6.713379852030243E-16,3.533357816858023E-17,-66.38079202401329,3000490.434132422,157920.54916486432,28.33714399149935,204.8918676000485,100.22721743868092,133.60960214141954,203.01209335145938,10.684847018497864,100.22721743868092,-3.2468827930175195,3.469446951953614E-16,1.826024711554534E-17,-67.63499594432861,3000447.4442016818,157918.28653693062,28.337116768798477,135.50822852488102,68.01381554125791,89.38451299285887,135.9729571290806,7.156471427846345,68.01381554125791,0.5194025576348054,8.881784197001252E-16,4.674623261579606E-17,-65.84898215319481,3000100.8317294857,157900.0437752361,28.33689726762371,135.6936552055853,68.5058826752348,90.72242321054804,136.86992637803849,7.2036803356862364,68.5058826752348,1.3474702380952834,0.0,0.0,0.0,3000094.892181126,157899.73116742767,28.336893506032453,0,11.996675647894403,15.998307415743144,-0.39619096130377945,0.07886424632850841,5.773023437499996,11.044069165389729,21.0,49.0,49.0,49.0,21.0,0.0,0.0,0.0,0.0,0.0,36.357795999999986,3.800069812840268,3.5561978467110094,3.556197846711005,3.057641084313099,2.732593897193355,2.7325938971933397,2.5306610016597912,2.2351723327011133,1.87344607419294,1.754794989582981,1.754794989582981,1.7108595001231626,1.482809808557199,1.4828098085571946,1.2225884653283199,1.0220397105806815,3.755227990819263,3.5146207735882196,3.514620773588212,3.086582974513235,2.7781239951885444,2.778123995188542,2.55818272736825,2.16047677558512,1.8487001191885266,1.7011786444748673,1.7011786444748649,1.688463748676494,1.44668114615335,1.4466811461533495,1.1276093754481962,0.9657983382058488,3.8851503331157646,3.6700144904916807,3.670014490491673,3.226457836246763,2.9801463573864817,2.9801463573864804,2.7902776843489856,2.447905145779969,1.7005359188245008,1.5031983262380104,1.5031983262380075,1.4729641148132298,1.1931791464996633,1.1931791464996577,0.8031224909363617,0.5925014329907248,3.7508127743992308,3.515169372723695,3.515169372723694,3.1090555664912474,2.8118556198433704,2.8118556198433686,2.5906331480528655,2.178889886830251,1.8391207296261376,1.669545950508742,1.6695459505087367,1.666677260774076,1.4282614907027111,1.4282614907027085,1.0636229929618448,0.9237147040813276,3.908600583797151,3.7059015983208656,3.705901598320853,3.29623321701777,3.077956567245087,3.0779565672450864,2.889053359128459,2.5319515797615515,1.669003275691506,1.4479888281895914,1.44798882818959,1.4266908336122093,1.1429769352355348,1.1429769352355315,0.6975860720367806,0.49203896283381415,3.967543019230386,3.7878771580802146,3.7878771580802018,3.1903695788418864,2.9744352680693553,2.9744352680693544,2.769463355901518,2.6791093853248893,1.7968202439850705,1.5665723069716888,1.5665723069716837,1.486840504936435,1.2072037301580716,1.207203730158068,0.8748011021163324,0.6474793554806558,0,0,0,0,0,3,12,1,0,0.0,0.0,0.3535533905932738,0.5576775358252053,0.4398264056274473,0.0,0.0,0.2041241452319315,0.3219752754296894,0.2539338936857123,1.4771365148955498,0.0,0.16666666666666666,0.0,0.8997862457059239,0.0,0.09622504486493762,0.0,2.803355750864538,4.777877178211448,5.74647991520808,1.7181376943034883,2.7591029323818663,3.1328511681830165,13.405412915006313,9.131030293135236,8.612261970670202,6.839118508681893,5.956820840979769,4.025264641297314,2.8904784349309534,2.17172239789233,0.705548048158227,0.4348109663397731,0.2870753990223401,0.17536201304312546,0.11031149705518091,0.07061867791749674,0.04379512780198414,0.03016281108183792,12.508837442838258,8.095754112725151,6.764856091450914,5.082334106738748,4.0680892313700845,2.6780863871936744,1.8079906143938325,1.262399070948464,0.6583598654125399,0.3855121006059596,0.22549520304836382,0.1303162591471474,0.07533498576611268,0.046983971705152186,0.02739379718778534,0.01753332042983978,25.72998656625276,46.42170429715955,44.203921568627415,44.840000000000025,28.620481437125786,360.3445233532934,0.547446522686229,0.9876958361097776,0.9405089695452642,0.9540425531914899,0.6089464135558678,7.666904752197732,3.3051000000000026,74.19700000000005,119.09305563241236,151.56769660047235,238.18611126482475,12.536111119201301,119.09305563241236,7.771561172376096E-16,4.0902953538821554E-17,-66.1026917991814,3000104.2692567934,157900.22469772596,28.33689944464992,258,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,6.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.476173469387756,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.104115646258504,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.563453798185941,0.0,7.083419784580498,0.0,0.0,0.0,2.710286281179137,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.476173469387756,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.158724489795918,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.35192743764172335,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.187817932728647,0.0,1.174915910808768,0.0,0.0,0.0,0.3477777777777775,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.158724489795918,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.158724489795919,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.575,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.187817932728647,0.0,1.1862240173847316,0.0,0.0,0.0,0.4443055555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.158724489795919,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,34.83333333333333,1.833333333333333,0.575,6.158724489795919,-0.30137188208616794,0.3477777777777775,7.401492046485259,0.9855555555555557,2.658724489795919,17.079254535147392,0.9855555555555557,2.658724489795919,17.079254535147392,8.99999,0.47368,0.0,0.02632,0.51064,0.82105,0.4434,0.51064,0.82105,0.06724,0.0,-0.06724,0.0,0.57692,0.13737,0.0,0.16667,0.38889,0.0,12.0,0.63158,12.0,0.63158,0.0,0.0,-12.0,-0.63158,0.0,0.0,25.0628,1.31909,29.49386,4.43106,0.23321,7.80897,0.411,9.13099,1.32201,0.06958,0.28301,0.0149,0.54101,0.02847,0.3404255319148936,99.03,3,3,3,3,0,0,1.0,1.2277627810440972,1.8283066637926644,2.967610659359713,3.2229298082958833,3.4782489572320534,3.4782489572320534,57.704850709072566,85.93041319825522,139.4777009899065,151.4777009899065,163.4777009899065,163.4777009899065,0.22103576229107927,0.3291524742178651,0.5342628840050715,0.580228329108908,0.6261937742127444,0.6261937742127444,4.32682607063354,3.7262821878849732,2.5869781923179245,2.3316590433817543,2.076339894445584,2.076339894445584,0.2186689633358202,0.3256279869402187,0.5285421227011532,0.5740153806298368,0.6194886385585205,0.6194886385585205,10.852102826500463,18.05862941948327,20.61010488416698,22.270678292507405,22.52799532195421,22.52799532195421,69.3509143461239,51.11086037799762,46.65754244539123,41.37726754708237,39.891882498808606,39.891882498808606,13.959183673469388,5.78,3.029585798816568,0,0,0,2.8899999999999997,2.2133,0.3750000000000001,3.8414707724610793,5.331976748784507,0.0,4.173121304403092,14.436991527186446,0.0,7.671299534253984,0.0,0.0,0.0,0.0,0.75,0.0,0.0,0.0,0.0,0.0,0.0,0.003,1.1620000000000001,1.194,0.859,0.598,8.307,30.0,39.0,54.0,57.0,66.0,72.0,63.0,54.0,27.0,502.0,3.091042453358316,3.4339872044851463,3.6888794541139363,4.007333185232471,4.060443010546419,4.204692619390966,4.290459441148391,4.1588830833596715,4.007333185232471,3.332204510175204,6.220590170099739,1.0,0.5,3.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.14285714285714285,6.0,0.2857142857142857,0,4.0,8.0,1.0,4.5,2.000000000000001,1.7916666666666667,0.4800000000000002,0.9600000000000001,0.36734693877551045,0.3386479591836736,0.0,0.0,0.0,0.21428571428571427,0.0666666666666667,0.07465277777777778,0.017777777777777785,0.032,0.015306122448979602,0.02822066326530613,0.0,0.0,0.0,0.4489097222222223,72.28135499635187,95.2120895292177,144.56270999270373,7.608563683826512,72.28135499635187,6.893357412662837E-16,3.6280828487699145E-17,-66.33052614423104,3005045.602650088,158160.2948763204,28.340026272711317,27.69,274.5935167139508,5.247927513443585,4.634728988229636,5.484796933490655,6.3784261836515865,7.252053951852814,8.15162164696975,9.034676602846295,9.93532530938488,10.822753853011813,11.723113454244212,113.41749692368164,3.7612001156935624,0.0,5.093750200806762,3.4339872044851463,6.580639137284949,5.68697535633982,8.146419323098003,7.653020413804189,9.764972332679383,10.09559441006488,268.20384475600036,5.706464782042561,38.66239820906006,2.03486306363474,9.114079435370396,9.114079435370396,0.0,663.0,24.0,2.8810000000000007,102.0,1.3331680945357707,2.2792719389289147,3.0965742420044466,3.9184894549600635,4.761013933534533,5.692141972894339,6.554155912430987,7.318095117188341,7.98264697782983,8.597064131827814,118.64241227183676,147.5285858358248,121.58387807405332,172.87909603961552,213.61014002504635,206.8467923421388,135.06952324814355,74.19734392955,31.252947208766095,8.735167370041497,342.095480488551,441.8953552139384,453.63163117594087,587.8840199536762,712.5669374514559,810.7491827946068,722.2089018223741,591.8945325237584,422.67714380890664,267.2289443300532,10.323408368981045,17.619963860756815,23.78189802550927,29.203456167636904,35.78887522119372,42.67967515013962,47.859471851280745,50.69284187344096,54.46401360582328,57.75906587537644,2.3388484674510126,3.1347475707729036,3.4836050977053263,4.569189955273349,5.403154307023444,6.430186368738121,6.349673470893165,6.007296830004116,4.944952164803419,3.8223656568251108,191.5283562102873,350.01313612537615,502.02235937190574,626.8173702990628,767.8614849680384,915.2777114766234,1083.2874555250762,1233.1427920783601,1409.7900006980412,1589.748913559488,3.063312414345918,5.135998651454659,6.251644207027044,7.623890683754025,9.129010751731022,11.227317319717642,11.20009334626659,10.009501025458308,10.069205170282068,8.597064131827814,0.5269433116712358,0.7360130791197974,0.8177590055583703,1.0434789701376326,1.2641260408052153,1.4742705289341056,1.4305732506238618,1.3113136394214138,1.104533457811203,0.8803393670991684,489.2164001992486,676.5434970456535,16.668460987804885,87.59461449693792,-121.13569126053042,-16.54498616758672,401.62178570231066,797.6791883061838,33.213447155391606,0.8481398373727742,1.1729032210003778,0.028897612152195752,0.15186016262722563,-0.2100093239799418,-0.028683547550320564,282.1854082049443,390.2377410170099,9.614551895799535,50.525538469900056,-69.87240099191052,-9.543330259460069,0.04784695837997188,0.2704382650211907,0.036113335619588474,3.873992697644507,536.7982098572797,40.012804838906845,0.9306309972946996,0.06936900270530041,1353.7704939385762,36.793620288557854,11.062374278506486,1625.0075042286312,40.311381819885945,11.756691535963707,2975.7545270299606,54.55047687261735,14.383537203042426,1.666377275202149,1.120882877495763,2907.7408137729817,1994.348105041222,1164.6154858756067,1.4579906117808257,2.496738922878756,1.7124519888568952,6.654936794584768,6.065313289258785,11.526478746300974,0.90039297173874,7.809252577680151,8.227277962377595,36.87024717382937,19.474344445723656,32.9362607475771,33.56498013153655,31.043684711688115,25.331424313319044,42.14754790688943,36.737520429742695,21.93321790081206,24.544588478107524,28.31938078364271,18.363802806189494,19.264138173660452,12.178383281414598,8.00624019232372,4.1671667219957,3.6666381426918178,2.326089415727682,1.3922807390952727,1.1063629215964996,1.8287143580923808E-10,6.918581515978654E-42,5.048520975032125E-95,7.105377763432434E-170,1.928795059290809E-266,0.0,0.0,0.0,0.6554106652592023,7.619338585871169,5.144621189986433,11.315389758616769,13.59143864645799,9.540594351493027,7.965816586183079,2.638988932323481,16.27375195034637,4.373878445042238,5.9367848986283756,4.197049040309205,4.165703464834069,2.549544434870516,2.2577560346107632,1.5435796514853102,0.7652975178669711,0.1672158281591065,0.7339006905217802,0.11563168632301264,0.043615129445743216,0.007792204518884039,1.2879784749395708E-12,4.872813531682861E-44,3.55571460209087E-97,5.0043756561094033E-172,1.3584661311063316E-268,0.0,0.0,0.0,2.115661915280331,7.013703468163926,9.84268844522761,11.533884845437058,12.055821008494135,12.607743983721308,9.654987196435464,5.863947526878491,18.326881072867035,8.982806873321076,7.7998084583113325,6.654693999619152,7.523315600140662,4.2247590197870935,4.36234654062082,2.812336219969783,1.7905793345447845,0.6600511971754083,1.140242699884303,0.4257112888020874,0.1890478572175803,0.08120077890803426,1.342172874549421E-11,5.077847395911607E-43,3.7053287624155084E-96,5.214945273057174E-171,1.4156264469020422E-267,0.0,0.0,0.0,7.371299727214935,8.48025864360203,35.035800689183404,19.47002160301554,34.65137819022069,32.821461620607444,31.11740707632173,24.254875100881957,41.62113844366752,34.7095559624296,21.40577031002669,23.762903009970014,27.314452220238167,17.216087997182154,18.086993931980412,11.213003667759514,7.402851413359003,3.8077995242501217,3.419071436802318,2.1408425079711013,1.2637766990943224,0.9857494446906427,1.6293515697237126E-10,6.164331571760874E-42,4.4981412974918736E-95,6.330763665248019E-170,1.7185216726843583E-266,0.0,0.0,0.0,3.1180787571438704,6.842822149296365,13.480330566094151,12.151232251306203,12.381645137103687,14.920074249722493,11.591987661817528,8.320580110870978,20.502702756369835,12.57282159669899,9.350697660635525,8.606229837229902,10.08666634232756,5.742253659479339,6.125241289658129,3.949917066651255,2.6288174375811963,1.0944626088334992,1.4762792936909377,0.6804732418278499,0.3274405944764419,0.17637894237450125,2.9153788335563406E-11,1.1029763079543431E-42,8.048469202553476E-96,1.132755798863059E-170,3.074929808059399E-267,0.0,0.0,0.0,9.430795898835607,8.901855525879856,46.930293069920175,22.568366804130417,42.95989511765045,42.45464106249727,40.27320149903825,32.93635459413537,52.28369435598384,47.65924248213765,27.713277931652843,32.17634132500903,36.482336514151896,24.700235655311264,25.5454173213197,16.134023376743848,10.422429452448899,5.627739985026205,4.6605053423913585,3.068660593258737,1.9202344356345298,1.6135263434209608,2.667008025826039E-10,1.0090100921881984E-41,7.362793374142467E-95,1.0362525693388182E-169,2.8129663227822342E-266,0.0,0.0,0.0,5.466463005567174,8.625886880956084,23.8108651672658,16.465806676455117,35.13017718933864,25.739354972247725,27.543251560134202,17.36491594431068,34.22291558981707,22.938508040046983,16.70905458790432,17.60015718135387,21.13298358325129,11.251264835302248,12.443580345849389,7.515980124197055,5.115894251163574,2.124584056354006,3.065374375701099,1.5638351662738281,0.7920876345213648,0.4783374312926135,7.9064700338616E-11,2.9912576117122955E-42,2.182734533021959E-95,3.0720192094104585E-170,8.339170231949757E-267,0.0,0.0,0.0,8.7166171941279,5.224142982846914,0.8254434768879362,0.5903086127250917,0.3537905277014319,0.4589817525734361,0.43983983532411386,0.43231598814287503,14.76620365386275,57.044164099808995,109.39846729902794,0.41614871063978537,1.331137576040425,6.971193890756662,3.8744119364672223,0.5276123486267079,0.6129482247653525,0.34066100522840437,0.29694368537193844,0.24907977585455057,0.17640567437312443,11.373218175850592,32.73155238455609,58.35519853905228,0.43041384499063534,0.7224291355996135,7.7712472214370285,4.58089221900815,0.5799885272796567,0.600925635814307,0.3542257106054659,0.36692239978346974,0.34362615809534464,0.21343253982290789,12.932127967724835,42.76334509148635,76.34262727764657,0.4327270196296595,0.9239810977017223,8.582450527429337,5.094551746553603,0.8291909042419711,0.591640440878201,0.35119839395224517,0.44520661393189165,0.4190827315037189,0.4363493526418574,14.50619317822491,55.06458420710843,105.82610350323682,0.41425825224566915,1.300638698077468,8.13862976108663,4.8822061557915815,0.6249911150216297,0.5964189449317333,0.3577801583134867,0.40152632590927906,0.3879582119237792,0.2477508639816789,13.645827031899842,47.8723750774891,86.35189176905095,0.4312986548678301,1.0372354018147372,8.816909739754438,5.279804305770768,0.8635724842075915,0.5893543363779353,0.35292133578307,0.4693592558179878,0.448537725018832,0.4731902920335622,14.960286529732798,58.72509237500596,113.88602349705053,0.41341350824150797,1.391087272870382,8.669829126721908,5.159692863864196,0.8249971125881643,0.5916147139106028,0.3520888558360521,0.454201259193093,0.4294797127125697,0.43189152901141026,14.654519103174268,56.14297118677705,107.70262689322195,0.4155553546199824,1.315572500917073 +UMLCN0009,L,"5,5'-((tetrahydrofuran-2-yl)methylene)bis(2-methyltetrahydrofuran)",CC(CC1)OC1C(C2CCC(C)O2)C3CCCO3,Cyclic Ethers,,C15H26O3,Kessler (2017),IQT,UML,,60.4,0,-2.6342000000000008,6.939009640000004,58.628800000000005,46.14261799999997,0,0,44,18,26,0,15,0,3,0,0,0.0,0.0,0.0,0.0,0.0,2958.283481999998,3487.465916000003,5237.210672000007,4452.90043000002,5139.335018000018,5477.928844000019,4164.457444000024,2126.8974799999937,662.249113000001,7810.103212337199,10728.76566257903,16671.143681226342,17254.432173558,17335.98854091264,18602.84184890889,17692.84031940834,12872.850474139763,6555.281756392047,327.84295199999997,350.82896000000017,712.4931440000007,977.8915600000018,917.411192000002,993.5643040000018,1032.5667040000014,950.3961920000027,660.9629800000006,55.32304752607404,76.03279205999996,121.77687761503682,136.24077918571498,135.82976732511088,142.80051614596013,144.38306870426223,118.66094548414773,70.44651935639307,7266.128151387975,6676.367196285401,14433.014726363783,21119.007232755714,19917.18445162087,21450.119520814504,22559.99218471839,22039.63693710869,16485.757334562397,97.16666666666667,99.25,196.9722222222222,245.22222222222223,239.4444444444444,253.33333333333331,261.6944444444445,208.99999999999994,124.0,67.23371549999996,75.81447643478268,56.31409324731191,34.51860798449628,41.78321152845543,41.49946093939408,30.17722785507264,16.11285969696965,6.898428260416677,177.50234573493634,233.2340361430224,179.25960947555205,133.7552881671163,140.94299626758243,140.9306200674916,128.20898782179955,97.52159450105881,68.28418496241716,7.450976181818181,7.626716521739134,7.661216602150545,7.580554728682185,7.458627577235788,7.527002303030317,7.482367420289865,7.199971151515172,6.8850310416666725,1.2573419892289555,1.6528867839130428,1.3094287915595357,1.056130071207093,1.1043070514236657,1.0818220920148496,1.0462541210453784,0.8989465566980889,0.7338179099624278,165.13927616790852,145.1384173105522,155.19370673509445,163.7132343624474,161.9283288749664,162.50090546071593,163.47820423708978,166.96694649324766,171.72663890169164,2.2083333333333335,2.157608695652174,2.117980884109916,1.900947459086994,1.9467028003613367,1.9191919191919191,1.8963365539452501,1.5833333333333328,1.2916666666666667,0.49146883829384075,-0.12682973801337538,-0.0667819069424199,-0.2841190186312877,0.4444185724697492,-0.09486218699837547,-0.1745833710938184,-0.04654698144975529,0.059324417384750965,1487.7358251818187,152.15649040082505,-23.336201543390047,-740.4181343285134,404.57146001446256,164.63672172727232,-1018.2340777975221,-874.2175913636356,207.46498423967282,2178.608361087466,8.569056058157443,-295.1007537262245,-405.9357648126535,85.45189796611645,69.80797728014737,-829.1535704968048,-1025.1162952821992,-57.92086826912801,3.0527716363636404,0.08093619834711006,-0.46579004958677056,-1.9202090247933734,2.5295983801652966,-0.6288058181818141,-1.8435761322313933,-0.8045483636363695,0.7520949752065992,9.723533269393911,-0.8476000557872432,-2.4926545539294174,0.18850165301554334,-0.12002293921655816,-0.9515552733328139,-1.2965428075037155,-3.013838104653188,-1.245274783106104,54.142733231696084,-6.151772299888,-15.849060648814396,3.710534897020209,-0.3429830619867611,-7.735808386721605,-3.569677937624553,-13.89632104255059,-8.166808639919585,18.05303030303029,-1.7448347107438014,-0.09062213039485666,-13.156737832874231,14.080291551882418,-2.7803030303030267,-6.873393021120313,-5.992424242424265,2.95247933884298,0.011169746324860017,-0.0027571682176820737,-7.180850208862354E-4,-0.002202473012645641,0.0036131591257703185,-7.186529318058747E-4,-0.0012650968919841914,-3.5262864734663096E-4,6.179626810911559E-4,33.81217784504133,3.3077497913222835,-0.250926898316022,-5.7396754599109565,3.2891988619061996,1.2472478918732752,-7.378507810126972,-6.622860540633603,2.161093585829925,49.513826388351504,0.18628382735124877,-3.173126384152952,-3.1467888745166936,0.6947308777733044,0.5288483127283892,-6.008359206498586,-7.766032540016661,-0.6033423778034167,0.0693811735537191,0.0017594825727632623,-0.005008495156846995,-0.01488534127746801,0.02056584048914875,-0.004763680440771319,-0.013359247335010095,-0.006095063360881587,0.007834322658402075,0.22098939248622526,-0.018426088169287896,-0.026802737139025992,0.0014612531241514988,-9.757962537931558E-4,-0.007208752070703136,-0.00939523773553417,-0.022832106853433242,-0.012971612324021916,1.2305166643567291,-0.13373418043234783,-0.17042000697649887,0.028763836411009373,-0.0027884801787541554,-0.05860460899031519,-0.025867231432061977,-0.10527515941326204,-0.08507092333249568,0.4102961432506884,-0.037931189363995685,-9.744315096221146E-4,-0.10199021575871497,0.11447391505595461,-0.0210629017447199,-0.04980719580521966,-0.04539715335169898,0.03075499311294771,-0.24684250989170317,-0.06428839115961164,-0.19718200830968677,0.32347727698422907,-0.06433923483171684,-0.11326102269382077,-0.031569978143711354,0.055324683579946965,0.09782717358466089,-0.007421198938027627,-0.16975172336474323,0.09727852719160388,0.036887534946412455,-0.21822042472218495,-0.19587204855557291,0.0639146521627224,0.003762258765666178,-0.06408566284627629,-0.063553740521597,0.01403104806169343,0.010680820920210778,-0.12134709928037589,-0.15684573595878823,-0.012185331286481981,0.02535965424973627,-0.07218810089698346,-0.21454438596289926,0.296418169883296,-0.06865955412361235,-0.1925485928061819,-0.0878489516491447,0.11291712516704937,-0.08337996662186595,-0.12128517499181171,0.006612322463588753,-0.004415579602328556,-0.032620353355432986,-0.04251442854262698,-0.1033176597146237,-0.058697895759093795,-0.1086813241186452,-0.138494676190012,0.023375413957555866,-0.0022661051731565737,-0.04762601814982459,-0.021021439352537707,-0.08555362350033366,-0.06913431227440367,-0.09244832053129966,-0.0023749467930697632,-0.24857707642745153,0.2790031467247104,-0.051335851167995494,-0.12139328293609568,-0.11064484543292818,0.07495803608896368,1.1942892179305864,1.3981711286063452,1.630533145354189,0.7431824703917074,1.326317680501164,1.3160336482229709,0.7144820649649329,0.06651783764448506,1.0188744011679705,1.118207620587798,1.2310791156596415,0.9092969191408743,1.0053686379835813,1.2380297286038409,1.090509631355051,0.692543772436548,1.3000930304485347,1.177217396720483,1.028223860383293,0.9960151909537273,0.9809904216216645,1.0951655150698485,1.0847338688197479,0.8794274940266773,0.8517783484473368,1.3654839340099822,1.6291765622941492,0.7413287822506556,1.3157689270824955,1.3921073952576082,0.7980264015222165,0.06611468714609886,1.4750919752045268,1.2768617890105758,0.9638485750532299,1.0240282814422594,1.0317690911742692,1.0216827913954163,1.015190743652283,0.88086190176124,1.5149623326498338,1.3115464224644022,0.9609616162567352,1.0254687937932214,1.0558967159398385,1.007877487918501,0.986787975664143,0.8593157766876615,1.001076465543981,1.2393131154518955,1.5966335618035168,0.7353248563958588,1.2450692404532118,1.2978515288446153,0.8701450086259156,0.23777363966988405,119.64004882940631,60.19502441470314,80.88962942066658,120.30671549607294,6.683706416448497,60.19502441470314,0.7499999999999716,1.2685805515802009E-17,7.047669731001116E-19,-70.03088636654682,8000046.1253842255,444447.0069657903,28.610924157540932,119.67286256637139,60.21032965183369,80.91134083773187,120.33757077730115,6.685420598738952,60.21032965183369,0.7477967372959853,5.144922110561118E-16,2.858290061422843E-17,-63.36603226366942,8000046.129049988,444447.0071694438,28.610924158365723,149.70752867687213,74.25527262134898,100.93017421538443,148.64354340205068,8.257974633447258,74.25527262134898,-1.1969834341741716,3.3450559369996747E-16,1.8583644094442637E-17,-64.14098052940822,8000049.813793557,444447.21187741985,28.610924987428053,119.70730439212323,60.226394396390006,80.93413005452945,120.36995719270703,6.68721984403928,60.226394396390006,0.7454844006567711,1.3923188053877539E-16,7.735104474376411E-18,-65.71870366564104,8000046.132899548,444447.0073833082,28.610924159231867,184.0937827375132,89.8336622979043,123.21604700064292,182.28995896361454,10.127219942423032,89.8336622979043,-3.2468827930175763,3.316574445633158E-16,1.842541358685088E-17,-64.15637225602617,8000053.815308226,444447.43418379035,28.61092588776302,123.09221321513587,61.805807886385374,83.17650533798628,123.55390437747799,6.864105798748776,61.805807886385374,0.5194025576348835,3.61454857116877E-16,2.0080825395382053E-17,-64.0015101300064,8000046.5198910795,444447.02888283774,28.61092424630446,121.67326530668807,61.43277809998402,83.03007983468471,122.70780455258557,6.817100252921421,61.43277809998402,1.464285714285694,3.718127876941319E-17,2.0656265983007326E-18,-68.0953073367199,8000043.8282866385,444446.8793492577,28.61092364069688,0,11.996683086662141,15.998306761767667,-0.3993676997795142,0.07240592058894606,5.763199218749997,10.886881433636395,20.0,46.0,46.0,46.0,20.0,0.0,0.0,0.0,0.0,0.0,34.17138199999999,3.793378354568627,3.5561978467110125,3.5125615486137955,3.012194724483199,2.732593897193345,2.590581379249444,2.354415550501562,2.2351723327011133,1.8729281073460144,1.7547949895829815,1.7355080746646325,1.6580066895518324,1.4828098085571988,1.3944445654375501,1.1526789600642602,1.0220397105806809,3.7489088699281714,3.514620773588215,3.4703967510402536,3.041320203940216,2.778123995188546,2.6310399900415624,2.357703388290497,2.160476775585121,1.8486946735648102,1.701178644474864,1.6937901621415272,1.616268034654153,1.4466811461533495,1.3858643671628146,1.0785466174328389,0.9657983382058458,3.8795085320026756,3.670014490491687,3.63355979082372,3.1871865875524406,2.9801463573864853,2.844399999367279,2.614447826607161,2.4479051457799703,1.7004888126835636,1.5031983262380126,1.4874569870953762,1.3964646140035277,1.19317914649966,1.1087976435961864,0.7411808857612513,0.5925014329907227,3.7446963338340056,3.515169372723695,3.471648437497056,3.064448236519666,2.811855619843374,2.664823857293269,2.3871902364834012,2.178889886830249,1.8388399616065993,1.669545950508738,1.6677195278136714,1.5834475422555399,1.428261490702708,1.3844243765694402,1.0233671529893034,0.9237147040813244,3.903363256545237,3.7059015983208567,3.6716520477537133,3.2590949020831155,3.0779565672450873,2.9423319333208053,2.71361745062455,2.531951579761552,1.669003043927305,1.447988828189589,1.4360567698768052,1.3393144176258176,1.1429769352355341,1.0661427640526862,0.6403319082956571,0.4920389628338147,3.979246253696853,3.806058178140477,3.773787499866077,3.160775939598666,2.9884814684858068,2.805157233805375,2.728992829923961,2.699308502110441,1.7841302927077765,1.5539846480400752,1.5303751512274646,1.4325299134456608,1.1938573673669197,1.1058048378502483,0.797261933815824,0.6351633229502405,0,0,0,0,0,3,11,1,0,0.0,0.0,0.3800398276929223,0.4551183572168035,0.3894426486165692,0.0,0.0,0.21941609682128765,0.26276270605226176,0.22484481801269707,1.188461380300737,0.0,0.16666666666666666,0.0,0.7331195790392573,0.0,0.09622504486493762,0.0,2.454191024298761,4.312915839426116,5.277438852545398,1.5165473454292144,2.4906573782713846,2.852961331093131,12.535169427003234,8.737183443017884,7.978494775938695,6.50357330733414,5.6984043497885635,3.6666730084592696,2.695165864951194,2.0019809925108834,0.6963983015001797,0.4368591721508942,0.28494624199781055,0.17577225154957135,0.11173341862330517,0.07051294247037057,0.0449194310825199,0.03128095300798255,11.63859395483518,7.663128427270959,6.253825178333974,4.782429919719634,3.8575910379604723,2.4348446781947963,1.675014904685005,1.1375362303261551,0.6465885530463988,0.383156421363548,0.22335089922621337,0.12925486269512526,0.07563903996000926,0.0468239361191307,0.027916915078083415,0.017774003598846174,24.188158762466887,43.5338674435543,41.478431372549,42.08000000000001,26.82192694610782,337.3162682634731,0.5497308809651565,0.9894060782625977,0.9426916221033863,0.9563636363636366,0.6095892487751777,7.666278824169843,2.916600000000002,69.60200000000005,110.76194039460141,143.23658136266138,221.5238807892028,12.306882266066824,110.76194039460141,8.934910103453042E-16,4.963838946362801E-17,-62.37251172092371,8000048.159906782,444447.11999482126,28.61092461530581,243,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,7.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.197356386999246,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.75218820861678,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.37042753212396,0.0,8.052346466364323,0.0,0.0,0.0,2.3798696145124705,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.197356386999246,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.950391156462585,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.35192743764172335,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.18521376606198,0.0,0.9223351284958428,0.0,0.0,0.0,0.3596296296296293,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.950391156462585,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.12348261526833,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.575,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1852137660619806,0.0,1.2001129062736207,0.0,0.0,0.0,0.4605555555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.12348261526833,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,33.0,1.8333333333333333,0.575,6.12348261526833,-0.2809637188208616,0.3596296296296293,6.780700276832954,0.973703703703704,2.6234826152683297,16.135567838246413,0.973703703703704,2.6234826152683297,16.135567838246413,8.49999,0.47222,0.0,0.02778,0.51591,0.82778,0.444,0.51591,0.82778,0.07191,0.0,-0.07191,0.0,0.57047,0.14382,0.0,0.11765,0.35294,0.0,11.5,0.63889,11.5,0.63889,0.0,0.0,-11.5,-0.63889,0.0,0.0,22.50535,1.2503,26.81289,4.30754,0.23931,7.38987,0.41055,8.73715,1.34727,0.07485,0.17685,0.00983,0.43485,0.02416,0.36363636363636365,94.03,3,3,3,3,0,0,1.0,1.2419389116382145,1.9120285356237607,3.3116249490005267,3.772185460511672,3.9645580388459942,3.9645580388459942,54.645312112081434,84.12925556744547,145.71149775602316,165.97616026251356,174.44055370922374,174.44055370922374,0.22748502012526514,0.3502248345956961,0.6065878612153266,0.690948385109223,0.7261851261790451,0.7261851261790451,4.217492706999083,3.5474030830135366,2.1478066696367706,1.6872461581256255,1.494873579791303,1.494873579791303,0.22484384560515924,0.34615861120686325,0.5995451803286236,0.6829262513069448,0.7177538824378623,0.7177538824378623,11.02865907519102,19.06973456301757,23.605805614223435,25.971026834170182,24.53831493316037,26.16490473408589,65.63569732532383,46.729334034743545,37.5837681799399,31.041010569839635,32.9708848977899,29.97700672323109,13.005,5.551020408163265,2.8049671292914535,0,0,0,2.78,2.0724,0.12499999999999997,2.8213032449095983,3.3533434039648777,0.0,5.8928796043461,14.214494972966005,0.0,6.305298898315056,0.0,0.0,0.0,0.0,0.75,0.0,0.0,0.0,0.0,0.0,0.0,0.003,1.1440000000000001,1.174,0.8979999999999999,0.613,8.036,28.0,37.0,51.0,52.0,60.0,64.0,53.0,42.0,21.0,446.0,3.044522437723423,3.367295829986474,3.6375861597263857,3.9512437185814275,3.970291913552122,4.110873864173311,4.174387269895637,3.9889840465642745,3.7612001156935624,3.091042453358316,6.102558594613569,1.0,0.5,3.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.15,5.0,0.25,0,4.0,8.0,1.0,3.5,1.7777777777777786,1.472222222222222,0.39000000000000024,0.7377777777777774,0.28571428571428586,0.194515306122449,0.0,0.0,0.0,0.175,0.06349206349206352,0.06691919191919192,0.01500000000000001,0.026349206349206337,0.014285714285714294,0.024314413265306124,0.0,0.0,0.0,0.3853605893114822,65.49463505827983,88.42536959114567,130.98927011655968,7.277181673142202,65.49463505827983,4.354155924701786E-16,2.4189755137232144E-17,-63.66641528502898,8000047.470317667,444447.0816843149,28.610924460149185,27.69,257.29753208808387,5.169925001442312,4.574710978503383,5.424950017481403,6.311734809152915,7.1846291527173145,8.078688229229872,8.959954084268098,9.855504562513977,10.740367043985996,11.63582428156526,110.76636315941822,3.713572066704308,0.0,5.030437921392435,3.4339872044851463,6.508769136971682,5.638354669333745,8.071218539969863,7.573017256052546,9.68911789777328,10.020158859339821,254.188194692,5.777004424818181,36.777863343656904,2.0432146302031615,9.113480149113665,9.113480149113665,0.0,570.0,22.0,2.4210000000000007,96.0,1.3386138398315819,2.2880106121100536,3.080542505420471,3.914550968693941,4.787713135187223,5.673093368524414,6.55320888984595,7.3018339892684105,8.18469853497612,10.61428919607395,121.01768624236956,145.69245230155218,119.87252301675733,180.89288515988767,219.18867723101675,188.27898191921048,114.44045375011886,55.97444321186007,22.555499075701025,10.784797137719684,344.8317085768261,440.63808994443076,445.5732406775949,597.0167552660355,724.0765530743312,772.5009054718003,667.8087115139948,522.050885240116,361.80964968247577,329.9318526867469,10.402585986523286,17.749951241170884,23.579315435962318,29.327018349932764,36.21253911333578,42.60282218948315,47.317725613396846,50.35653275361105,55.50107826752446,71.31171984941179,2.345159360239992,3.130105003068453,3.432739520476501,4.585473435771137,5.4587200885479925,6.203486979992548,6.071625108048707,5.524039700950643,4.49783683284983,4.719249952373795,192.41154040804548,351.98939797816706,499.9239254036614,626.6637858155027,769.9941399873433,919.3762904594095,1088.5215226200391,1247.4950323282421,1472.6747745099517,1962.7694360443481,3.1081777599927167,5.132566486207297,6.097743211878154,7.778835370312139,9.433743033002479,11.023223739842035,10.553300004418384,9.595082380323019,9.468558487263575,10.61428919607395,0.5310716254758817,0.736286868285233,0.8061777989102609,1.053595830597042,1.286942617660134,1.4262645369206113,1.3624352427446578,1.213915073703314,1.0147722594163089,1.0869032136779724,475.4902255720158,641.9375904688836,17.53236806008296,79.54063449314661,-107.38417007304677,-16.78746331316872,395.94959107886916,749.3217605419304,34.319831373251674,0.8566915099390903,1.156579996999659,0.03158809594483558,0.14330849006090995,-0.19347423323531876,-0.030245999855211328,263.91174885181397,356.2951729461024,9.731005323366826,44.14750677285988,-59.601528273026815,-9.317560201020394,0.049011320474428306,0.27919624333737153,0.036992158443934046,2.751112440967481,513.4801965349382,41.550663530224256,0.9251381021852624,0.07486189781473787,1291.6889247924264,35.94007407883888,10.890621017174551,1543.551862918906,39.28806260073034,11.556874808521332,2802.440672329978,52.93808338360937,14.098691547897714,1.9459343756375267,1.9459343756375267,2611.3580139576084,1921.7999548189537,894.0310777803348,1.3588084479914642,2.920880581065465,2.14958965362851,6.385526997270358,6.065313289258785,11.526478746300974,0.90039297173874,7.2514514708080275,7.2787839563613455,36.44500585178039,18.861997025305925,29.79453451364811,30.668728235069835,28.741868351209124,19.53984015000727,37.850066615784336,34.00981937524157,17.46768906337903,19.654699075281382,22.236833711811347,18.508315194921824,13.549103365379064,10.05601375448082,3.7789923106117125,3.2756256471191882,2.5611848196851543,2.326089414931032,1.3922807390952727,1.1063629215964996,1.8287143580923808E-10,6.918581515978654E-42,5.048520975032125E-95,7.105377763432434E-170,1.928795059290809E-266,0.0,0.0,0.0,0.6085982836305593,6.67086354763028,5.118504570719739,11.30233879785163,11.9197951055959,7.550237245136529,7.805036796492737,2.2110043218480886,14.971763244900398,4.058116705283852,5.1247993129786575,3.951557476813615,2.8665317589840718,2.572500532308059,0.7075371612400391,1.4179215282489182,0.522874319940267,0.15991868769136694,0.7261148923801382,0.11563168631740177,0.043615129445743216,0.007792204518884039,1.2879784749395708E-12,4.872813531682861E-44,3.55571460209087E-97,5.0043756561094033E-172,1.3584661311063316E-268,0.0,0.0,0.0,1.964545840936442,6.065227083711284,9.752074250865599,11.468438945528197,10.460028663052574,10.469018132898826,9.213928188828417,4.540353942647621,17.01263342886009,8.249791707993118,6.267402715925757,5.902603510724912,5.3667419473072,4.291729114568224,2.369963810445665,2.3779762809527316,0.9339833928582374,0.5920018319646456,1.0591086803664709,0.4257112887436178,0.1890478572175803,0.08120077890803426,1.342172874549421E-11,5.077847395911607E-43,3.7053287624155084E-96,5.214945273057174E-171,1.4156264469020422E-267,0.0,0.0,0.0,6.844780983947365,7.531766692223165,34.64099772792876,18.914582984273167,31.32744065751127,29.970443627153646,28.771565846593745,18.638657163203384,37.528654629037845,32.37605734083301,17.165856042509702,19.007008700009354,21.402365217444107,17.359951733263483,12.771250272613797,9.24784815387818,3.4900272856554913,3.012751562787814,2.4341324280792227,2.1408425072613,1.2637766990943224,0.9857494446906427,1.6293515697237126E-10,6.164331571760874E-42,4.4981412974918736E-95,6.330763665248019E-170,1.7185216726843583E-266,0.0,0.0,0.0,2.8953614676493147,5.894344090833706,13.34040138543467,12.030199977827154,10.763638293591596,12.674517366475976,10.970437015169157,6.379685324200246,18.98083231651888,11.47530825440059,7.3157089105379605,7.452990300445358,7.347882904217032,5.833736584760942,3.7081940166596667,3.274286592782916,1.2914601256550042,0.9491552196503498,1.3000453616327887,0.680473241700846,0.3274405944764419,0.17637894237450125,2.9153788335563406E-11,1.1029763079543431E-42,8.048469202553476E-96,1.132755798863059E-170,3.074929808059399E-267,0.0,0.0,0.0,8.75717027987924,7.953352898027967,46.38553484323861,21.69932101058,39.070939998872376,39.28454597304701,37.1584356853639,25.530517413180572,46.58766942537895,44.312984084659234,22.386113980694454,25.399433628843955,29.06955837459365,24.83943677941762,18.188117932878296,13.389847624812504,4.95099213433525,4.330831365967216,3.0483055630281664,3.0686605920968977,1.9202344356345298,1.6135263434209608,2.667008025826039E-10,1.0090100921881984E-41,7.362793374142467E-95,1.0362525693388182E-169,2.8129663227822342E-266,0.0,0.0,0.0,5.082221881010863,7.743031611058174,24.37196609900785,16.699316861021178,31.852608756176537,23.44260814767227,26.1896465828509,13.337733617176916,32.00135127600014,22.329643530094355,14.476543570897213,14.454002478879245,16.538503045860576,11.606066969195759,8.72998037606699,6.170592140146491,2.246920124748564,1.7848272605918098,2.6598023904135415,1.6075766973838246,0.8142428634962098,0.491716854042889,8.12761936929947E-11,3.074925118212735E-42,2.2437871000142775E-95,3.1579456726366372E-170,8.57242248573693E-267,0.0,0.0,0.0,9.047083606773626,4.180369125731801,0.7571084435785949,0.646933678708895,0.2989274438500754,0.4607279587634814,0.3790731695642913,0.40499922777099845,13.984561176084021,47.834765138487384,90.45328045053739,0.4704005180633424,1.244800356098771,7.16751866873252,3.1274674447342825,0.44883054940735256,0.667129651746597,0.2910946400957694,0.2907183933651449,0.21458665217831271,0.14087790336573616,10.743816662874154,27.036885569434528,47.84176919900097,0.5006944776198955,0.6461829489091937,8.032097306477699,3.652660622869722,0.5136029720400159,0.6584570969337472,0.299438641994456,0.3634487182814228,0.2906878448173871,0.18651821450291725,12.198360901387435,35.339851950510024,62.60656676986976,0.48768564540062076,0.8406547776017271,8.89569226332767,4.087094300276464,0.7571174716187223,0.647434817632144,0.29746163363288536,0.44544690664097386,0.3627751630330606,0.4042431548872596,13.739904035222855,46.187027684061434,87.45385528942595,0.471152226448216,1.2124652245612941,8.433355687867856,3.882280322898063,0.5623585739557622,0.6548656029000898,0.3014662180013618,0.4004364882159461,0.3275506801462648,0.22400910476880956,12.877994584721682,39.6664543473824,70.95643465056261,0.4822984043501347,0.9519962731310204,9.152987498395715,4.230364802039203,0.7939344144661051,0.6456092539043792,0.2983902976013656,0.47156848537941287,0.3880982546083387,0.4450484133678494,14.177286714901022,49.345980118957485,94.26478539125193,0.4684138808565687,1.304715153355601,8.9957970205604,4.1257150028590175,0.7547355414323587,0.6482874407160731,0.2973220954423847,0.45551259861829446,0.36944545576084026,0.4019825109453593,13.876247564851775,47.01736621180714,88.90494015777958,0.47243116107410965,1.226940565324494 +UMLCN0010,L,furfuryl alcohol,C1=COC(=C1)CO,Cyclic Ethers,Aromatics,C5H6O2,NREL (2014),IQT,PubChem,,10.3,0,-0.6349999999999998,0.4032249999999997,28.102500000000003,14.404758000000001,5,5,13,7,6,0,5,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1239.3529909999993,1230.2108829999997,1491.9661839999994,902.0891599999999,504.3797699999999,61.54848,2.032128,0.0,0.0,2736.868529260945,3257.9528257028437,4100.003182572084,2736.4365137285763,1665.8938132889975,548.9192161466221,62.16748886186053,0.0,0.0,104.71679599999997,105.32304400000001,162.37062400000005,160.16621600000005,108.98892,66.76991999999998,13.436928,0.0,0.0,17.898585429093995,21.276109536,27.470231342849,20.386222043395996,12.876864856547002,5.519689116245001,0.8892258096979999,0.0,0.0,2114.3802642004944,1918.0044248656504,3086.0016018358992,3297.7714229822964,2303.6660002853473,1601.2019089393452,369.83530404849796,0.0,0.0,71.27777777777777,50.66666666666667,73.91666666666666,71.5,49.5,21.0,2.0,0.0,0.0,95.33484546153841,94.63160638461537,74.59830919999997,45.104457999999994,36.02712642857142,6.8387199999999995,1.016064,0.0,0.0,210.52834840468807,250.61175582329568,205.00015912860422,136.8218256864288,118.9924152349284,60.99102401629135,31.083744430930263,0.0,0.0,8.055138153846151,8.101772615384617,8.118531200000003,8.008310800000002,7.784922857142857,7.418879999999998,6.718464,0.0,0.0,1.376814263776461,1.6366238104615385,1.37351156714245,1.0193111021697998,0.9197760611819287,0.6132987906938889,0.44461290484899996,0.0,0.0,162.64463570773034,147.53880191274234,154.30008009179497,164.88857114911482,164.5475714489534,177.9113232154828,184.91765202424898,0.0,0.0,5.482905982905982,3.897435897435898,3.695833333333333,3.575,3.5357142857142856,2.3333333333333335,1.0,0.0,0.0,0.3416260623759192,-0.14300276607343013,-0.08691852858233823,0.12507159859592532,-0.07354215213720394,-0.02474850626394083,0.032327323273028216,0.0,0.0,499.06020630769217,-8.268964615384412,-125.88822547337259,-134.5470093964498,-111.14943994674564,44.82661309467432,85.49692318343186,0.0,0.0,623.0520208099509,-3.8254064861323993,-133.63347248875925,-157.9114636379556,-236.18105743083615,117.0285332271892,102.99685641151842,0.0,0.0,1.7300190769230763,-0.26443753846153806,-0.6003699644970406,0.2293774201183434,-0.23331254437869833,-0.09538213017751529,0.09911521893491089,0.0,0.0,2.918949210742923,-0.16483940953846202,-0.6684116270894974,-0.2142227448238814,-1.3051346521833789,0.5624055083868228,0.330728319876935,0.0,0.0,16.892449576296755,-1.2863987378269004,-4.038855778883853,-0.16552415666057185,-7.635666194641365,3.073622736041832,1.6065973438224896,0.0,0.0,24.474358974358967,-4.991452991452991,-8.719099276791585,4.992439184746875,-1.6091387245233404,-3.5207100591715985,1.6107823800131489,0.0,0.0,0.026278927875070707,-0.011000212774879241,-0.004345926429116911,0.006253579929796266,-0.005253010866943139,-0.002749834029326759,0.016163661636514108,0.0,0.0,38.38924663905324,-0.6360742011834163,-6.294411273668629,-6.72735046982249,-7.939245710481832,4.980734788297147,42.74846159171593,0.0,0.0,47.92707852384238,-0.29426203739479995,-6.681673624437963,-7.895573181897779,-16.87007553077401,13.003170358576577,51.49842820575921,0.0,0.0,0.13307839053254433,-0.020341349112426004,-0.03001849822485203,0.01146887100591717,-0.016665181741335595,-0.010598014464168366,0.049557609467455445,0.0,0.0,0.22453455467253255,-0.012679954579881693,-0.03342058135447487,-0.01071113724119407,-0.0932239037273842,0.062489500931869196,0.1653641599384675,0.0,0.0,1.2994191981766734,-0.09895374906360772,-0.20194278894419265,-0.008276207833028593,-0.5454047281886689,0.3415136373379813,0.8032986719112448,0.0,0.0,1.882642998027613,-0.3839579224194608,-0.43595496383957927,0.24962195923734373,-0.11493848032309574,-0.39119000657462205,0.8053911900065744,0.0,0.0,-0.41859442771691246,-0.16537685440507027,0.23796937072644708,-0.19989441319355974,-0.10464026700021377,0.6150807108020429,0.0,0.0,-0.016569072249944607,-0.16396287566803533,-0.17524049203348474,-0.20680910425591073,0.12974296774113467,1.113553021596107,0.0,0.0,-0.00613978666044526,-0.13941333021402538,-0.16474138263966898,-0.35199465626475895,0.27131155828970177,1.0745163233794897,0.0,0.0,-0.15285238295282452,-0.2255700426246965,0.08618131734252119,-0.1252283084777774,-0.07963738080809311,0.37239411499597397,0.0,0.0,-0.056472174620848414,-0.1488438222937061,-0.04770373654431716,-0.4151873365921096,0.2783068335428621,0.736475328617634,0.0,0.0,-0.07615229111779957,-0.15541003952193097,-0.006369159271035591,-0.4197296214754816,0.26282021830767804,0.6181982481391857,0.0,0.0,-0.20394621966125373,-0.23156539200279386,0.1325912345032303,-0.0610516600563746,-0.2077876724288459,0.427798149118212,0.0,0.0,1.254608633623359,1.0711008467082297,0.73062605169244,1.103982924374429,1.0631979820833082,0.3155035074455726,0.0,0.0,0.8117773985574449,1.0257288816660155,1.1321394790825094,1.1410565838458435,0.9238593811045496,0.0,0.0,0.0,0.9722094862990055,1.054080099130009,1.0444988300495026,1.2461814948101633,0.6603507963533821,0.0,0.0,0.0,0.992381053334761,1.1915098668542923,0.9581804166854901,1.008402092447231,0.8875123712879169,0.0,0.0,0.0,1.1559493338094307,1.1428701503006402,0.9124456819098004,1.2609791948464968,0.46807036537973645,0.0,0.0,0.0,1.2025009124864376,1.171631054980513,0.8754649363060846,1.2529806186057468,0.4315377390515447,0.0,0.0,0.0,1.027763226820325,1.098088004190676,0.6537454164484023,1.2038838584150269,1.416448402304872,0.0,0.0,0.0,17.818801858142365,9.159400929071182,14.04167398018631,18.175944715285222,2.5965635307550317,9.159800019153248,0.4999999999999982,0.2639492249917865,0.03770703214168379,-0.9323989667370645,35.11515918573818,5.016451312248312,2.491043046008741,17.82599200593528,9.16226158206633,14.046351919030592,18.18208569036198,2.5974408129088546,9.162659384642607,0.49853115819738036,0.26403592224847794,0.037719417464068275,-0.9321690811785533,35.11762493288538,5.016803561840768,2.4910921974990434,24.311195424929384,11.756603234406663,18.45486633917389,23.741203313417913,3.3916004733454166,11.756627878201762,-0.7979889561160576,0.3039614853073259,0.04342306932961799,-0.8335979950691168,40.784968754374646,5.8264241077678065,2.59581952045251,17.833538584548258,9.165264092493064,14.051262469499566,18.188531156289592,2.5983615937556563,9.165660548376348,0.4969896004378711,0.26412675320188117,0.037732393314554455,-0.9319283157062304,35.120228798152844,5.017175542593264,2.4911440984496345,31.493590540195655,14.589688683842201,23.44464539422873,30.565909742190673,4.366558534598667,14.58969014402812,-2.164588528678294,0.31387636375251116,0.04483948053607302,-0.8111292816363168,50.33802314573629,7.1911461636766125,2.7431325032209983,18.573678329438902,9.459973350597751,14.536275236389812,18.821012880693615,2.688716125813374,9.460258230099909,0.34626837175660086,0.27226945439190364,0.03889563634170052,-0.9106741433303884,35.448225023183646,5.064032146169092,2.4976512272997033,16.83094734215031,8.86391818447334,14.069032232504664,17.414004169400194,2.487714881342885,8.864556004608954,1.0984126984126936,0.29301724076229385,0.041859605823184834,-0.8592666806528522,26.890545443718963,3.841506491959852,2.3042423280336912,0,11.996400532441285,15.998258482713185,-0.4130479924174708,0.11456670564079374,3.9876023333099817,6.6207576220978135,7.0,13.0,11.0,8.0,2.0,2.0,0.0,0.0,0.0,5.0,8.475241999999998,3.794627119647256,2.8944721311023724,2.1834808337780562,2.0008563452342427,1.2925268619766639,0.623281528482327,0.08392307051869123,0.030360692430891224,1.6393587456989895,1.463308970530883,0.9525466380472776,0.4028415523996153,0.2778763064995642,0.030360692430891224,0.08392307051869123,0.623281528482327,3.7054488388230213,2.810406310974768,2.0910615607392247,1.813510656309819,1.2042275035445318,0.7305714824775523,0.27091390189293707,0.06308440066230236,1.644301149595643,1.5027688857796904,1.0000784049897835,0.36616689006337705,0.12082770480433176,0.06308440066230236,0.27091390189293707,0.7305714824775523,3.8446931431324978,3.0555983809158196,2.3494667284390514,2.172483540492428,1.7605900836333737,1.28992979304401,0.9439184268026221,0.6104845151955127,1.4844078363789583,1.288193830047634,0.6193438603544157,0.25089069350059034,0.4387263468982297,0.6104845151955127,0.9439184268026221,1.28992979304401,3.684975226952399,2.806101946271777,2.0917974486593525,1.7581974217736362,1.21355834470951,0.8153501298853666,0.3992772455089823,0.11848320141574573,1.6627765246321977,1.5058633937815114,1.0253048361533181,0.32045630661651303,0.01719738902317405,0.11848320141574573,0.3992772455089823,0.8153501298853666,3.845835832197513,3.099664283588084,2.4127168264217493,2.2125000239600245,1.908210259560793,1.496399114849723,1.2076448229620877,0.7622436731224975,1.4603013855535891,1.2750948864074263,0.571420838027343,0.39150761053132577,0.6347357469575045,0.7622436731224975,1.2076448229620877,1.496399114849723,4.104074469718021,3.8155736640792126,2.4852420175599375,2.4140322254195477,1.7264152678444384,1.012812917421868,0.5454545454545452,0.39445137954777354,1.5172252639872392,1.2486956711122774,0.6398078514253481,0.13099946093842058,0.23121829308656208,0.39445137954777354,0.5454545454545452,1.012812917421868,0,0,1,3,0,1,0,0,0,0.0,0.0,0.14433756729740646,0.10206207261596577,0.10206207261596577,0.0,0.0,0.039283710065919304,0.027777777777777776,0.012422599874998832,0.20412414523193154,0.0,0.0,0.0,0.08333333333333333,0.0,0.0,0.0,0.49279927982674443,0.5948613524427102,0.20412414523193154,0.13349284448993412,0.12636648162452685,0.024845199749997663,5.112884175122363,3.431851652578137,2.558730744624475,2.052095140581215,1.4186112615457085,0.49279927982674443,0.20412414523193154,0.0,0.7304120250174805,0.4902645217968767,0.3198413430780594,0.22801057117569057,0.15762347350507872,0.12319981995668611,0.10206207261596577,0.0,3.7946194747192457,2.0649493634990383,1.2374773758177693,0.735937889114117,0.40254488180051196,0.10750116067366154,0.024845199749997663,0.0,0.5420884963884637,0.2949927662141483,0.15468467197722116,0.08177087656823522,0.04472720908894577,0.026875290168415385,0.012422599874998832,0.0,8.05508162019133,13.324836125273123,12.874509803921573,13.080000000000005,8.356142514970058,98.87919640718565,0.6196216630916408,1.0249873942517786,0.9903469079939671,1.0061538461538466,0.6427801934592352,7.606092031321973,0.4131999999999999,26.30379999999999,22.87726983959036,33.161781788254075,45.75453967918071,6.53636281131153,22.877269839804914,0.10650955175902371,0.015215650251289101,-1.5676644269833526,23.73191567932052,3.39027366847436,2.2167745567470005,44,1.0,0.0,2.0,4.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7597916666666666,0.0,13.06537037037037,5.608240740740741,0.0,3.5958195891203704,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7597916666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.752013888888889,0.0,0.0,0.0,0.0,1.752013888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-0.00694444444444442,0.0,0.0,4.9971296296296295,0.0,0.0,0.0,0.0,0.6111111111111114,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.332731481481481,0.0,0.0,4.732638888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7597916666666666,0.0,4.732638888888889,0.6111111111111114,0.0,3.5958195891203704,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7597916666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5477083333333334,0.0,0.0,0.0,0.0,0.5477083333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-0.00694444444444442,0.0,0.0,1.533287037037037,0.0,0.0,0.0,0.0,0.6111111111111114,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.332731481481481,0.0,0.0,4.732638888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7597916666666666,0.0,8.332731481481481,1.7416203703703703,0.0,3.5958195891203704,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7597916666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.651875,0.0,0.0,0.0,0.0,0.651875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7416203703703703,0.0,0.0,0.0,0.0,0.6111111111111114,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.332731481481481,0.0,0.0,4.732638888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.666666666666664,2.6666666666666665,0.7597916666666666,8.332731481481481,0.3472222222222223,-0.00694444444444442,1.6130167592592592,1.5069444444444444,2.3327314814814812,7.13074074074074,1.5069444444444444,2.3327314814814812,7.13074074074074,3.16666,0.45238,0.0,0.04762,0.63333,0.91905,0.43333,0.5549,0.84167,0.2,0.07843,-0.12157,0.07738,0.49223,0.22206,0.0,0.10526,0.1579,0.0,9.25,1.32143,4.25,0.60714,5.0,0.71429,0.75,0.10714,0.0,0.0,2.52426,0.36061,6.53706,4.01279,0.57326,1.36218,0.1946,3.43185,2.06967,0.29567,-0.01785,-0.00255,0.06815,0.00974,0.38461538461538464,7.02,1,2,2,2,1,1,0.2,1.4604846813131116,3.026986833359287,3.3927474104487847,3.546593564294939,3.5465935642949384,3.5465935642949384,18.98630085707045,39.35082883367073,44.1057163358342,46.1057163358342,46.1057163358342,46.1057163358342,0.3946786848474275,0.8180073353228106,0.9168497986377478,0.958424899318874,0.9584248993188739,0.9584248993188739,2.239955036827981,0.6734528847818053,0.3076923076923075,0.1538461538461533,0.15384615384615374,0.15384615384615374,0.36935057510339414,0.7655125329534105,0.8580118800719939,0.8969189402606931,0.896918940260693,0.896918940260693,13.526349078886167,25.536265210445094,27.595991716985427,27.751041721908503,27.751041721908503,27.751041721908503,25.642153407360933,17.24361516920525,15.32497109353086,15.063364983047615,15.063364983047615,15.063364983047617,5.142857142857143,2.34375,1.1851851851851851,1,5,0,1.7899999999999998,0.7359000000000003,0.0,0.0,0.0,0.0,3.3019272488946267,2.8284271247461903,0.0,0.0,0.0,0.0,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.589,0.6000000000000001,0.775,0.5680000000000001,3.244,8.0,9.0,9.0,4.0,2.0,0.0,0.0,0.0,0.0,46.0,2.3513752571634776,2.7880929087757464,3.2337644373619514,3.6260062122954264,2.883403088580071,2.409194828052304,0.0,0.0,0.0,0.0,4.793204560188733,2.6019021739130435,0.5,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.14285714285714285,2.0,0.2857142857142857,0,2.0,4.0,1.0,1.0,0.44444444444444464,0.2222222222222222,0.125,0.0,0.0,0.0,0.0,0.0,0.0,0.14285714285714285,0.05555555555555558,0.05555555555555555,0.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.31646825396825395,12.646764559569089,19.13821664851042,25.293529119138174,3.6133613027340252,12.646774418859144,0.12433423528054999,0.01776203361150714,-1.4593473256359097,35.743733281414876,5.106247611630697,2.5034624726628145,33.370000000000005,84.08745912885567,3.807354922057604,3.4339872044851463,4.174387269895637,4.9344739331306915,5.6937321388027,6.459904454377535,7.223295679562314,7.990576881743923,8.755107121633896,9.522446728338489,72.18791141197033,2.70805020110221,0.0,3.8501476017100584,2.3978952727983707,5.176149732573829,4.442651256490317,6.577861357721047,6.259581464064923,8.017966703493599,8.436416881388949,98.036779432,7.541290725538461,13.585236367059636,1.9407480524370908,5.383752168933944,5.383752168933944,0.0,43.0,4.0,-0.09199999999999997,30.0,1.3596601737458518,2.3905407676628534,3.462760193596626,4.536418034913877,5.065773717647117,4.972863412185147,0.0,0.0,0.0,0.0,148.4451008294788,200.0824492846168,175.65213613463095,164.6861618289661,33.81329290693773,5.052747490038489,0.0,0.0,0.0,0.0,374.9128832361998,530.4034084575268,512.7395970371402,540.0225553635662,296.5864141613963,154.5752153942869,0.0,0.0,0.0,0.0,11.138479187632623,19.509677846463045,28.06581929752383,35.255399236873465,37.76689486921575,33.41000381168307,0.0,0.0,0.0,0.0,2.37779105216481,3.4805044914766277,3.7291273241061553,4.1721944543988245,2.9770535116687236,2.2109992471089477,0.0,0.0,0.0,0.0,197.68464850514005,364.187439078343,564.9331297557054,746.4294138453657,907.8688955603084,919.5702260185724,0.0,0.0,0.0,0.0,5.511059722915285,9.046587801981007,13.297771843251681,16.09289531410947,12.098373206107604,4.972863412185147,0.0,0.0,0.0,0.0,0.5710917297541303,0.8599127043891791,0.9461925445199405,1.0868058384617725,0.7703534602918007,0.5092212134077589,0.0,0.0,0.0,0.0,201.37157305566615,156.25789366462806,16.63893954454967,134.96547111701898,-104.72888458973168,-33.70676607466404,66.40610193864717,260.9867782543597,50.34570561921371,0.5987195777110896,0.46458722395265134,0.04947102863878045,0.40128042228891037,-0.31138076047299995,-0.10021722750634038,67.72871966194667,52.55531808381075,5.5962917445818405,45.39388762087207,-35.224203482412626,-11.336834070172642,0.2710027098200261,0.5013138339337523,5.37164098479773,26.897583187788946,227.4338002858419,108.90324388684323,0.6762080009511853,0.3237919990488147,494.00689594704414,22.226265902014312,7.9051661767388035,561.1099453007545,23.687759398067907,8.248012721464448,747.119798208202,27.33349224318404,9.073957657739376,1.9572933014257226,1.9541675598684218,387.09801141864733,323.6437201801053,105.57904096025487,1.1960621735630472,3.6664285628846542,3.0654163670793397,3.8934657027198956,3.6545631492182182,5.750139881797992,0.5734137424956135,2.3538479759356026,2.194035116842956,5.005851691592708,3.956971198322012,2.3043533368659848,1.8077414953467636,3.4776007844209365,2.8431135780742025,1.4658774901801315,2.1576046219677893,0.001978589544525913,3.802363092889607E-25,1.4344117419750727E-68,1.0437020341530004E-133,1.4647217769590228E-220,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.21747745510235797,2.3973292155444788,1.6307102083044636,2.387818366203705,2.645712312464021,0.8822737419843388,1.320909744773695,1.09821866985518,0.11452614086957731,0.19742753499281923,1.393543467179386E-5,2.678035416452438E-27,1.0102679183815639E-70,7.350878765134086E-136,1.0316155238516255E-222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5825207443801123,2.0193368626904467,1.6244380067086273,1.9519041607150736,1.4881564316038571,1.040104638907918,1.4973125760611283,0.9191909262843567,0.29168382872421494,0.3675707074991087,1.45217354791731E-4,2.79071938155935E-26,1.0527770630195213E-69,7.660182429001551E-135,1.0750229138283587E-221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4448005797602876,2.3965303946886096,5.8235297071941,4.052408689014784,2.963849665915096,1.8480433244401475,3.6661685870406115,2.923212235959747,1.5423629193546622,2.557496538821865,0.0017628878951171613,3.3878370597592372E-25,1.2780350376070837E-68,9.299197220964326E-134,1.3050407330897815E-220,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.791611973541848,1.8756948785901362,1.6282222548692684,1.9008473675147628,1.0592570148314915,1.1303174490995704,1.6597028201677164,0.9745912651596179,0.39337943766349465,0.4002106436323315,3.154313536987956E-4,6.061815411166682E-26,2.286772459927037E-69,1.6638939840136818E-134,2.3350934205218554E-221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0232358284735135,2.3222838024909565,6.656440049003899,5.010529544253795,2.8102914071305065,2.098471142787724,4.2469222868654155,3.6657714370165575,1.9910628890924502,3.150321937006073,0.0028855869010732285,5.54538921891541E-25,2.0919547173989937E-68,1.5221413280533766E-133,2.1361590548383236E-220,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.167798825849143,2.9395219109718655,6.200525133068065,3.8470822067518897,3.8075705498026404,1.4271244076725693,3.5998319609330287,3.556363292581083,1.3596625760422436,3.2300102302883134,5.886722171522965E-4,1.1312815813555865E-25,4.267671298438232E-69,3.105229192521323E-134,4.3578499149194065E-221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.030953546989837,1.242750445069174,0.45176186918886646,0.7040393995312868,0.21705665096714316,0.7311050788237001,0.4055601292533248,0.34278439067052763,5.725465861247876,7.391927687576151,15.3804807700206,0.5560590992969302,1.4794495987475527,3.0929582026294056,0.8880390540076322,0.2148564150045627,0.737146346054367,0.2116468121873737,0.44980037271966034,0.19829613537414892,0.07921947916409378,4.195853671641601,3.6020104750521966,8.388003316842877,0.6057195190815505,0.727315987257903,3.3059086328298113,0.948065221983016,0.28402297662929776,0.7284951390720188,0.20891711854319023,0.4949123770752827,0.23354653086884875,0.1444547993275956,4.537996831442125,4.342443318586511,9.770629792293207,0.5927427086080281,0.8729137072717271,3.9699942101192045,1.2359857908414578,0.44606658673709687,0.7023994138265405,0.2186793352927599,0.7118765498996977,0.4031262751749774,0.3556895679856873,5.652046587697759,7.229070163080304,15.069901451647233,0.5535991207398108,1.4706923930603624,3.4898392451875857,1.0011679405263516,0.3147489983567464,0.726179005242738,0.20832682769984368,0.5477676237445569,0.25978871391058694,0.16002564323528326,4.805756184070684,4.907455183188905,10.812917667320399,0.589268507864107,0.967581980890427,4.135345982572742,1.2910650428633774,0.478807889213519,0.7002866519162898,0.21863119073545426,0.7696925826848814,0.439023307214608,0.38938632933598005,5.905218914649639,7.937209047339209,16.398783588096652,0.5504299778744348,1.5981022192354695,4.020219622425815,1.2184845312208061,0.45061621299421595,0.7066256359895383,0.21417049009321998,0.7298013007049374,0.3906697223643451,0.3589141174235934,5.689320366640837,7.259220448749514,15.15591832113485,0.5599384539843075,1.479385140492876 +UMLCN0011,L,"3,4-dihydro-2H-pyran",C1CC=COC1,Cyclic Ethers,Olefins,C5H8O,Marquardt (2015),IQT,PubChem,,23.9,0,-0.22809999999999983,0.05202960999999992,23.254999999999995,14.936344000000002,0,0,14,6,8,0,5,0,1,0,0,0.0,0.0,0.0,0.0,0.0,985.4171180000001,1058.2411659999998,1170.2057739999993,697.6420549999999,115.057152,4.064256,0.0,0.0,0.0,2582.6452411584487,3217.4195421131117,4130.394749134895,3229.301399007859,1163.2844037833477,124.33497772372105,0.0,0.0,0.0,104.80200799999997,107.170888,191.32794400000003,219.9607400000002,128.832768,26.873856,0.0,0.0,0.0,18.144607238791995,22.742634480000007,31.248498702547,27.888261941338985,12.196930880490005,1.7784516193959998,0.0,0.0,0.0,2298.7642824464924,2038.8444628932007,3914.7629876188976,4987.17216321789,3138.2803599121903,739.6706080969959,0.0,0.0,0.0,35.0,36.75,58.5,55.25,28.0,4.0,0.0,0.0,0.0,70.386937,75.5886547142857,46.808230959999975,23.254735166666663,6.392064,1.016064,0.0,0.0,0.0,184.47466008274634,229.81568157950798,165.21578996539583,107.64337996692863,64.62691132129709,31.083744430930263,0.0,0.0,0.0,7.485857714285713,7.655063428571429,7.6531177600000015,7.332024666666673,7.157375999999999,6.718464,0.0,0.0,0.0,1.2960433741994282,1.624473891428572,1.24993994810188,0.9296087313779662,0.6776072711383336,0.44461290484899996,0.0,0.0,0.0,164.19744874617803,145.63174734951434,156.5905195047559,166.23907210726298,174.34890888401057,184.91765202424898,0.0,0.0,0.0,2.5,2.625,2.34,1.8416666666666666,1.5555555555555556,1.0,0.0,0.0,0.0,0.1557803437341823,-0.030019350186419907,-0.04715313495635989,-0.0128328250377596,1.8043277951735638E-4,0.011934705533930834,0.0,0.0,0.0,480.0001234285715,23.93825485714314,-200.9974522653058,-132.99401120408157,-29.963996693877675,100.0171435918366,0.0,0.0,0.0,703.2084279667109,-52.783141856406715,-271.0082999648094,-171.7802629182097,-0.568480493574512,144.53597124964446,0.0,0.0,0.0,1.0066937142857135,0.021013714285715378,-0.30829763265305893,-0.1939293877551026,-0.09062791836734839,0.06849436734693777,0.0,0.0,0.0,3.155024204053713,-0.5514066720000013,-1.0570568443792048,-0.6332471009429577,0.12266190014094053,0.5415366151543679,0.0,0.0,0.0,17.605322023289407,-3.5472170234642775,-5.59944607568583,-3.282935253162349,0.8470442396950145,2.7798931009727297,0.0,0.0,0.0,6.428571428571427,1.0357142857142856,-1.908163265306123,-2.0969387755102042,-0.9795918367346941,0.7346938775510206,0.0,0.0,0.0,0.011127167409584452,-0.0021442392990299935,-0.0018861253982543958,-4.277608345919867E-4,1.0024043306519799E-5,0.0029836763834827085,0.0,0.0,0.0,34.28572310204082,1.7098753469387957,-8.039898090612233,-4.433133706802719,-1.664666482993204,25.00428589795915,0.0,0.0,0.0,50.22917342619364,-3.7702244183147653,-10.840331998592376,-5.726008763940324,-0.03158224964302844,36.133992812411115,0.0,0.0,0.0,0.07190669387755097,0.0015009795918368128,-0.012331905306122357,-0.006464312925170087,-0.005034884353741578,0.017123591836734443,0.0,0.0,0.0,0.22535887171812236,-0.03938619085714295,-0.04228227377516819,-0.02110823669809859,0.006814550007830029,0.13538415378859198,0.0,0.0,0.0,1.257523001663529,-0.25337264453316266,-0.2239778430274332,-0.10943117510541163,0.047058013316389695,0.6949732752431824,0.0,0.0,0.0,0.45918367346938765,0.07397959183673468,-0.07632653061224491,-0.06989795918367347,-0.054421768707483005,0.18367346938775514,0.0,0.0,0.0,-0.19270306809467433,-0.16950633785106625,-0.03844292251984385,9.008620916303937E-4,0.26814338938701515,0.0,0.0,0.0,0.049871351461653064,-0.23449696734363662,-0.12929969986658504,-0.048552759935639705,0.7292914844917124,0.0,0.0,0.0,-0.07506045115105675,-0.21581744749435458,-0.1139976705440729,-6.287630770877636E-4,0.7193825887958544,0.0,0.0,0.0,0.020873989762244007,-0.17149871091448327,-0.08989862524034392,-0.07001968915877875,0.2381362695647501,0.0,0.0,0.0,-0.174770979979022,-0.18762196248503865,-0.0936649910303982,0.030238658704120736,0.6007491640175131,0.0,0.0,0.0,-0.20148549505494984,-0.17811033494507972,-0.08702121150917265,0.03742119488402077,0.5526525354397723,0.0,0.0,0.0,0.16111111111111112,-0.1662222222222223,-0.15222222222222226,-0.11851851851851856,0.4000000000000002,0.0,0.0,0.0,1.08475242616925,1.3588301924756474,0.8984388861394732,0.8107513057216186,0.07400528364149436,0.0,0.0,0.0,0.9675870041681036,1.2349220334486197,1.0219227424976438,0.8846138239167626,0.0,0.0,0.0,0.0,1.2345921295228934,1.200117628779873,0.9894839880991235,0.7793472124560542,0.0,0.0,0.0,0.0,0.8479855413534778,1.379366594123678,0.9720260685521797,0.8601808617441123,0.0,0.0,0.0,0.0,1.4065677651610515,1.2068857302329004,0.9539978187201545,0.695331859462121,0.0,0.0,0.0,0.0,1.4465847524490696,1.21378847544279,0.9430766084881127,0.6728224069444402,0.0,0.0,0.0,0.0,0.7222222222222224,1.2942222222222226,1.044814814814815,0.9549382716049384,0.0,0.0,0.0,0.0,16.747607584711645,7.821447270454023,11.652061100547423,16.74760758471164,2.7912679307852732,7.823155305331427,0.2500000000000018,0.06356194627473077,0.010593657712455129,-1.653444190031979,21.546449037739343,3.5910748396232237,1.8421266150847668,16.748447276308703,7.822983639818929,11.654220929434555,16.748447276308706,2.791407879384784,7.8246882140828715,0.24926557909869906,0.06361993436101676,0.010603322393502793,-1.6528970546380268,21.547139693375073,3.5911899488958454,1.8421458473368801,18.8877990688634,9.23488444965093,13.746777872155437,18.754800909510728,3.1258001515851213,9.235201402395552,-0.39899447805803057,0.09954330451450899,0.016590550752418165,-1.3842975049485253,18.213452642389754,3.035575440398292,1.7412962863299746,16.749330664393057,7.824596251003243,11.656488249714359,16.74933066439306,2.791555110732177,7.826297201374108,0.2484948002189311,0.06368064519979144,0.010613440866631907,-1.6523247633546387,21.547844301263606,3.5913073835439344,1.8421654674733308,23.004769069293864,10.812424828647675,16.38278056872876,22.64400431451415,3.7740007190856906,10.812490834310145,-1.0822942643391489,0.18318401966628017,0.03053066994438003,-1.0183584356655717,50.18210123422911,8.363683539038185,2.349395048399995,16.84619676781155,7.9831479957922635,11.88091559397473,16.846196767811545,2.807699461301924,7.984531433452453,0.17313418587830665,0.06899119665218378,0.011498532775363965,-1.6042658203652786,21.520350378379216,3.5867250630632026,1.8413994100105435,19.705105010358324,8.154383251944283,12.584464381070676,19.705105010358324,3.284184168393054,8.156322065249295,0.4142857142857137,0.0030163313048453544,5.027218841408924E-4,-3.4822283914696452,26.38995713048826,4.39832618841471,1.9637901156320676,0,11.996877606076355,15.997417287365138,-0.37662281750188475,0.07656326089071516,5.518438092640063,6.52576086281809,6.0,14.0,13.0,13.0,5.0,1.0,1.0,0.0,0.0,1.0,10.661655999999999,3.5828339942059495,2.766112948445492,2.5467708551571975,1.3138486354410313,1.074876921703312,0.5459588109622108,0.08392307051869131,0.0839230705186912,1.8618658722159147,1.2895929208103973,1.0483248979093214,0.5824688553942081,0.2965052935508797,0.08392307051869109,0.0839230705186912,0.08392307051869131,3.5482279463495248,2.800126577888487,2.4495213751702827,1.4139177046569065,1.062017480559667,0.4526005160270502,0.2709139018929375,0.27091390189293724,1.8433189294383932,1.2116777492099866,1.0193877248282535,0.4333644473400932,0.14929413595365285,0.2709139018929372,0.27091390189293724,0.2709139018929375,3.6904267188865165,2.952865469639674,2.7404551833010586,1.8485543074701378,1.5535788167600926,1.0943300970390424,0.9439184268026224,0.9439184268026223,1.6612629705187083,0.9838240163680284,0.668844059695812,0.0741728692574084,0.40980250047041855,0.9439184268026221,0.9439184268026223,0.9439184268026224,3.549939419235144,2.8253813922225484,2.4423840500732683,1.4898360024533595,1.1185448342123423,0.4319319303846168,0.39927724550898236,0.3992772455089821,1.8318776008047921,1.162110565778284,1.0000858294829453,0.33308105172618224,0.05423683228608008,0.399277245508982,0.3992772455089821,0.39927724550898236,3.724820994009338,3.0286022088448505,2.801588298053108,2.0361305541832246,1.7317622470320224,1.208341272234388,1.207644822962088,1.2076448229620873,1.6241181657631403,0.9137525002964708,0.599366197971543,0.25673130498246555,0.5968701726974016,1.2076448229620873,1.2076448229620873,1.207644822962088,3.7755670315312027,2.8828020216377976,2.80333582725932,1.5997997812583975,1.4899507371517402,1.0461132262156574,0.5882352941176475,0.5882352941176472,1.7283158018866378,1.0674331824459948,0.7603685022013462,0.20693083903618098,0.16547970051604702,0.5882352941176471,0.5882352941176472,0.5882352941176475,0,0,1,1,0,1,2,0,0,0.0,0.0,0.0,0.125,0.0,0.0,0.0,0.0,0.048112522432468816,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.242640687119285,3.0,2.1213203435596424,1.5,1.0606601717798212,0.75,0.0,0.0,0.7071067811865475,0.5,0.35355339059327373,0.25,0.17677669529663687,0.125,0.0,0.0,3.684269172402757,2.2659590187875254,1.384804360970155,0.8254295991236379,0.4886419420963561,0.2886751345948129,0.0,0.0,0.6140448620671262,0.37765983646458756,0.23080072682835917,0.13757159985393966,0.08144032368272601,0.04811252243246882,0.0,0.0,7.882110319560352,13.88201019664967,13.250980392156867,13.440000000000005,8.674457485029938,107.01023592814373,0.5630078799685966,0.9915721569035478,0.9464985994397762,0.9600000000000003,0.619604106073567,7.643588280581695,1.2366899999999998,24.055999999999994,20.999999999999993,26.999999999999993,41.999999999999986,6.999999999999998,21.000000000972356,1.1102230246251565E-16,1.850371707708594E-17,-22.042080341806265,4000004.0,666667.3333333334,9.1210835514502,36,0.0,0.0,1.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,3.0,1.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.888888888888889,3.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9937499999999999,0.0,0.0,1.2006944444444445,0.3527777777777778,0.0,0.9937499999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.2986111111111116,0.0,3.8125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.888888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.888888888888889,1.7673611111111112,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.42743055555555554,0.0,0.0,0.3527777777777778,0.3527777777777778,0.0,0.42743055555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9131944444444444,0.0,1.7673611111111112,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.888888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.888888888888889,2.045138888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5663194444444444,0.0,0.0,0.4934027777777778,0.3527777777777778,0.0,0.5663194444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1944444444444444,0.0,2.045138888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.888888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,2.0,0.5663194444444444,4.888888888888889,0.3055555555555556,0.9131944444444444,2.657430555555556,0.5868055555555556,1.3888888888888888,2.8680555555555554,0.5868055555555556,1.3888888888888888,2.8680555555555554,2.83333,0.47222,0.0,0.02778,0.52619,0.82778,0.43333,0.49792,0.82778,0.09286,0.02827,-0.06458,0.0,0.57047,0.14382,0.0,0.0,0.0,0.0,5.0,0.83333,3.5,0.58333,1.5,0.25,-2.0,-0.33333,0.0,0.0,3.19857,0.5331,5.0,1.80143,0.30024,1.95328,0.32555,3.0,1.04672,0.17445,-0.086,-0.01433,-0.0,-0.0,0.42857142857142855,6.01,1,1,1,1,0,0,0.6,1.2638091738835462,2.556656707462823,3.378783493486176,3.378783493486176,3.378783493486176,3.3787834934861767,17.693328434369647,35.79319390447952,47.30296890880646,47.30296890880646,47.30296890880646,47.30296890880648,0.33193889189625314,0.6715046954648326,0.8874359135554887,0.8874359135554887,0.8874359135554887,0.8874359135554889,2.5435457481740578,1.250698214594781,0.42857142857142794,0.42857142857142794,0.42857142857142794,0.42857142857142705,0.32348209988375715,0.6543968009589504,0.8648267492527296,0.8648267492527296,0.8648267492527296,0.8648267492527298,11.180950466987653,21.599285960358593,22.427845914790637,22.427845914790634,22.427845914790634,22.427845914790634,21.78168417597741,14.279645278180821,13.284461139071102,13.284461139071102,13.2844611390711,13.2844611390711,4.166666666666667,2.2222222222222223,1.3333333333333333,0,3,0,1.8999999999999997,0.7202000000000003,0.0,0.0,0.0,0.0,6.083643418932058,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.42400000000000004,0.41800000000000004,0.562,0.397,2.9239999999999995,6.0,6.0,6.0,6.0,0.0,0.0,0.0,0.0,0.0,36.0,2.0794415416798357,2.1972245773362196,2.302585092994046,2.3978952727983707,2.4849066497880004,0.0,0.0,0.0,0.0,0.0,3.9512437185814275,1.4166666666666667,0.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0,3.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,13.000000000000002,18.0,3.0,9.00042006176254,7.216449660063518E-16,1.2027416100105862E-16,-20.91899903566531,22.42419282679312,3.7373654711321866,1.8660842477706872,9.23,88.83369112909456,3.584962500721156,3.2188758248682006,3.8918202981106265,4.574710978503383,5.262690188904886,5.953243334287785,6.645090969505644,7.337587743538596,8.030409562130485,8.723394022000136,65.63782292184975,2.5649493574615367,0.0,3.6109179126442243,0.0,4.890349128221754,0.0,6.248042874508429,0.0,7.627057417018934,7.9211727215870145,84.057514876,6.0041082054285715,11.8125,1.96875,2.9375,2.9375,0.0,27.0,3.0,1.115,24.0,1.308864216403471,2.3006323522680163,3.1164544890853474,4.014047623652148,4.774513291587673,0.0,0.0,0.0,0.0,0.0,114.84640197091491,119.82336171291239,72.9459017705659,24.69595504801229,4.8512110731037374,0.0,0.0,0.0,0.0,0.0,333.63387126231476,409.51928647996385,346.50315583686944,254.73455874169608,148.40975093779085,0.0,0.0,0.0,0.0,0.0,10.113989617428478,17.647070965288957,22.916468034409323,28.605181208137296,32.07739566705329,0.0,0.0,0.0,0.0,0.0,2.2895664945997765,3.0456976796021973,2.9908976776475638,2.695471746974456,2.122810223812955,0.0,0.0,0.0,0.0,0.0,188.11541469038642,355.89063876945875,513.5603624106456,700.8222420984878,882.8917874389609,0.0,0.0,0.0,0.0,0.0,3.6447318707372047,5.53584303340704,5.843430924650491,6.10700593326467,4.774513291587673,0.0,0.0,0.0,0.0,0.0,0.5147146339057377,0.7015954397289277,0.6906020961238675,0.6323598164298764,0.48891016105857765,0.0,0.0,0.0,0.0,0.0,229.430544216586,108.01596773122475,11.328118662018118,51.06296429882724,-24.04045861808172,-10.049428604519353,178.36757991775875,132.05642634930646,21.37754726653747,0.8179531334999813,0.38509257594918356,0.040386384419287304,0.18204686650001847,-0.08570771831876701,-0.03582766908834587,64.35377830791086,30.297777764618896,3.177463748388391,14.322830011375343,-6.743192584105345,-2.818799487856787,0.18840512606604454,0.7505348969880786,7.081274490748155,18.403342686273874,255.97320604829667,24.520302467116583,0.9125815688323882,0.08741843116761178,409.07201114087655,20.225528698673777,7.423349736692486,486.9929243823888,22.067916176712036,7.867574857307763,602.2130909690342,24.540030378323376,8.444683891566344,1.1682931075145948,1.036298758843294,214.38021222902177,128.46624234223611,107.39888115013221,1.6687668940912077,1.9961121562275963,1.1961599689539966,3.2758741157552076,3.5115679045817174,5.00189185492092,0.4244041382183449,2.3945222016705046,2.230268559802341,6.7887744963423975,8.586255263790143,5.54984377884297,6.000698854202039,4.9746275699064375,1.8643480432025614,2.009535650365943,1.9135561487786195E-11,5.539860769390791E-44,3.3990462549436625E-98,4.0821332933188875E-174,9.476140851084788E-272,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20095685058483834,2.641499820937046,0.6245617345476786,3.3303342968745815,2.5371145749249684,0.49803694256265046,0.2804856072887351,0.01313079030203694,0.014153323895782943,1.34773324183121E-13,3.901769236711521E-46,2.393976069755471E-100,2.875079856163795E-176,6.67412348335496E-274,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6487100183234277,1.8768091591756089,1.5300458563321453,3.324053317607303,2.5712182696928485,1.390798329909209,0.9744926679948264,0.13683268721591246,0.14748854726414015,1.4044419487672528E-12,4.065944372642799E-45,2.49470764121037E-99,2.9960548799447484E-175,6.954951247281213E-273,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2602338639943937,2.639920003599734,6.972582624664096,8.820378077637438,5.659454329396346,6.094434954018919,4.643073553377658,1.6611005654448996,1.790460085715643,1.7049440777723702E-11,4.935916208408594E-44,3.028489018281218E-98,3.637107271487043E-174,8.443070894212349E-272,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9560786293181031,1.586219307374898,2.082452863829981,3.6730934692563055,2.7201807188073266,1.942230181077149,1.516851143798209,0.29721879599364537,0.32036483305490565,3.0506355835638682E-12,8.831774495815036E-45,5.418838356078082E-99,6.507831551949965E-175,1.5107083475775694E-272,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.8917322173894418,2.489739462816572,8.96638576726334,10.484751378087077,6.94861293344689,7.774254770796108,6.50344982484902,2.718976293810785,2.9307188867375737,2.7907418039769845E-11,8.079366287327896E-44,4.9571895151220436E-98,5.953407762998038E-174,1.3820060848685267E-271,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.367593280724747,4.089236645940325,4.7458614822305,7.996157181033406,4.7811676332226725,4.182674738173288,2.655300817838288,0.6451032069879102,0.6953410554899458,6.621301552867197E-12,1.9169068406196508E-44,1.1761405726448658E-98,1.412502869660515E-174,3.2789414709635946E-272,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.274313156447695,1.4909956562141908,0.5250308983479806,0.5301009499577282,0.34752391573748787,0.6180454374840779,0.5632107418160964,0.46048828048302265,4.290339711009866,5.367894505603737,11.438609287130175,0.31643729854282404,1.641744459783197,1.450206577591648,1.2183130413628083,0.12847136972489004,0.5184881122110412,0.435579895070759,0.24293001194979805,0.33873795688578107,0.02969732103122546,2.7969909886793465,2.1096339567348505,5.133608879104479,0.43110201092270034,0.6113652898668046,1.835996256936496,1.2352483192042913,0.2815646605458044,0.5475993793046563,0.3684218910184772,0.393831305644278,0.39148191797615045,0.1383549094250623,3.352809236686592,3.132665226980401,7.124038136309468,0.3740319054847003,0.9236681330454908,2.1971948274721216,1.5069860677916986,0.5020356318924835,0.5223684547113837,0.35827591329696157,0.5765367526064001,0.5770299891938457,0.4267634884691778,4.206216527156304,5.17077278962231,11.0393005796328,0.320966552012518,1.5803302302694235,2.019337453088951,1.265415879962814,0.35948241881512,0.554118226861277,0.3472376558828723,0.48001111976446,0.41021629832480705,0.22059573041864777,3.6442357518668853,3.7361127535188983,8.298934534165722,0.352033824116224,1.1108231485079147,2.318801357315836,1.535121671292288,0.5553001605077773,0.5258979320982801,0.3481614800270741,0.6443823813552584,0.5950401823880396,0.5133871171177254,4.4092231891159015,5.699726291408223,12.085619373884715,0.3110891181880313,1.7528096808610236,2.235957424618129,1.4923823368420008,0.5100264895383192,0.5275517244625557,0.3521126416317689,0.5962363231628178,0.5656759846153908,0.43691055221519975,4.238366250998449,5.238455406774469,11.178730767682232,0.319496549141487,1.5988228599934085 +UMLCN0012,L,eucalyptol,CC1(C2CCC(O1)(CC2)C)C,Cyclic Ethers,,C10H18O,Marquardt (2015),IQT,PubChem,,18.8,0,1.310899999999999,1.7184588099999976,44.03260000000001,30.404273999999972,0,0,29,11,18,0,10,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1716.898362999998,2044.8967719999991,3524.8889240000017,3198.9223760000027,1743.551886999995,480.56198400000096,45.72288,0.0,0.0,5011.0671942143945,6905.887116314272,11362.327572922171,13333.775743613822,10471.242918820448,5498.202944299593,1398.7684993918604,0.0,0.0,209.6892280000001,223.59030400000012,452.40425600000003,666.263984,722.8052440000016,551.8471679999998,302.3308800000001,0.0,0.0,36.535236287282004,50.61147758000001,84.03984844303692,105.76842492218793,96.9055793531108,59.65056297335613,20.007580718205,0.0,0.0,4781.912583138983,4330.836076562201,9386.541768026438,13937.036534920482,16802.458509431104,13648.788406731359,8321.294341091205,0.0,0.0,56.15277777777778,61.5,119.89583333333334,178.25000000000003,156.16666666666669,108.0,45.0,0.0,0.0,59.20339182758614,68.1632257333333,57.78506432786888,36.35139063636367,17.093645950980346,6.007024800000012,1.016064,0.0,0.0,172.79542049015154,230.19623721047574,186.26766512987166,151.52017890470253,102.65924430216126,68.72753680374491,31.08374443093023,0.0,0.0,7.230663034482762,7.453010133333337,7.4164632131147545,7.571181636363637,7.086325921568643,6.898089599999997,6.718464000000002,0.0,0.0,1.259835734044207,1.6870492526666672,1.3777024334924084,1.2019139195703175,0.9500546995403019,0.7456320371669516,0.44461290484899996,0.0,0.0,164.8935373496201,144.36120255207337,153.87773390207275,158.37541516955093,164.72998538657944,170.609855084142,184.917652024249,0.0,0.0,1.9363026819923372,2.05,1.9655054644808745,2.025568181818182,1.531045751633987,1.35,1.0,0.0,0.0,0.16726434356585015,-0.07352763183722764,0.08366671650134778,-0.11146704344187476,-0.0177164375814345,0.002541958924477907,0.03287026565178628,0.0,0.0,896.416017862068,71.46936193578955,489.58991466943996,-978.7484896504188,-646.0343432734853,-220.82365575743097,836.339203145067,0.0,0.0,1461.0162705958232,34.69371450337838,405.0116723478012,-984.1870181353195,-987.1645616719379,-554.6112725947319,1355.749330252897,0.0,0.0,1.131541793103449,0.062493869203331776,0.3759794007134404,-1.2071668204518309,-0.3059493412604077,0.14660305350772132,0.3622689417360216,0.0,0.0,6.517919588417315,-0.14056512514257774,0.3106787887445401,-2.31122590207389,-3.8205965092196665,-2.8285334148437604,5.531282368326733,0.0,0.0,35.849691529858646,-1.2646511374581066,-0.8378103872600594,-9.344443951672087,-19.78963989909963,-15.891469027667963,29.20316863822852,0.0,0.0,8.091475095785436,-2.497886114414054,7.28914817016779,-9.548652397938945,-1.564077156823891,-1.4400845554234412,3.7158145065398305,0.0,0.0,0.0057677359850293155,-0.0024509210612409216,0.0013715855164155375,-0.0012666709482031223,-1.7369056452386765E-4,3.177448655597384E-5,7.304503478174728E-4,0.0,0.0,30.910897167657517,2.3823120645263183,8.026064174908852,-11.122141927845668,-6.333670032092994,-2.760295696967887,18.585315625445933,0.0,0.0,50.37987139985597,1.1564571501126126,6.639535612259036,-11.183943387901358,-9.678083937960176,-6.932640907434148,30.12776289450882,0.0,0.0,0.03901868252080859,0.0020831289734443924,0.0061635967330072195,-0.013717804777861714,-0.0029995033456902713,0.0018325381688465165,0.008050420927467146,0.0,0.0,0.22475584787645914,-0.004685504171419258,0.005093094897451477,-0.026263930705385116,-0.03745682852176144,-0.035356667685547,0.12291738596281629,0.0,0.0,1.2361962596502982,-0.04215503791527022,-0.013734596512459991,-0.10618686308718281,-0.19401607744215324,-0.19864336284584955,0.6489593030717449,0.0,0.0,0.27901638261329087,-0.08326287048046847,0.11949423229783263,-0.10850741361294255,-0.015334089772783244,-0.018001056942793015,0.08257365570088512,0.0,0.0,-0.4249364165770609,0.23780310332782442,-0.21961319857408212,-0.03011416697551645,0.005509005030474248,0.12664420661996723,0.0,0.0,0.07707029827070057,0.25965160866655884,-0.35981297687738784,-0.2049008800275133,-0.08929846590981581,0.6012544872004555,0.0,0.0,0.02295474597253376,0.13178945137755985,-0.22199229726365144,-0.19210219615582116,-0.13760735616832018,0.5980119054967447,0.0,0.0,0.05338798849329328,0.15796527034761323,-0.35157016822764414,-0.07687351678495659,0.046965659793080594,0.20632221303663625,0.0,0.0,-0.020847084583955854,0.022660566768660823,-0.11685538309028351,-0.16665563488408194,-0.15731144715300754,0.5468929379331652,0.0,0.0,-0.034100603028191706,-0.01111036892826816,-0.08589806210643407,-0.15694601559224708,-0.16068917964696225,0.5249646227333886,0.0,0.0,-0.29841570484364194,0.4282695918377251,-0.3888926255750756,-0.0549576681812117,-0.06451612903225827,0.2959455460195324,0.0,0.0,1.4068848942659344,1.1256491921558358,2.461755723412518,0.6720894707792064,0.12377904331542967,8.644290111256358E-4,0.0,0.0,1.1510262230634272,0.8923298245408057,1.5523803992772873,1.1015646390303533,0.8508503211701425,0.0,0.0,0.0,1.3163593095120427,1.0226839881850465,1.2623706727402335,1.1311345057785869,0.9707644830599305,0.0,0.0,0.0,0.8561010642624759,1.138033029159623,2.605209683222129,0.696815276862737,0.13204178662302415,0.0,0.0,0.0,1.4049206348506798,1.1514433765090593,1.1730182062526182,1.1035949666910974,0.9727755779338015,0.0,0.0,0.0,1.4256873758240238,1.1935006867598894,1.165351317407977,1.0884043566672341,0.9607209565120757,0.0,0.0,0.0,1.3329071717470664,0.707923092970566,2.289204713605425,0.7772307620887957,0.5262740455756144,0.0,0.0,0.0,46.02260820535515,22.54667998204373,30.274905201509668,46.090790023536954,4.190071820321542,22.546679982972886,0.24999999999997158,0.02374727844559732,0.002158843495054302,-4.114316081515143,68.05060711656023,6.186418828778202,4.642276815750606,46.029156737853214,22.550089128943632,30.280964930531724,46.097138259425584,4.190648932675053,22.550089129869498,0.24926557909869373,0.023795501087478077,0.002163227371588916,-4.112084620722116,68.07571943883349,6.18870176716668,4.642682667513641,54.02873285807023,25.726670289796743,36.39961262557054,53.84737173168021,4.8952156119709285,25.72667028984099,-0.3989944780580288,0.011319029608826858,0.0010290026917115327,-4.9293969268317905,383.2119009634472,34.83744554213156,6.54344691264926,46.036034188957714,22.55366756557343,30.28732802386757,46.10380549810833,4.191255045282576,22.553667566495854,0.24849480021892134,0.02384578774720575,0.0021677988861096135,-4.109762460780754,68.10227319239247,6.191115744762953,4.643111652090674,64.95050291265127,29.362495392019163,43.63649678203233,64.45855097431532,5.859868270392301,29.362495392021316,-1.0822942643391222,0.024779915850685452,0.0022527196227895866,-4.067493978507325,149.0597685163506,13.550888046940964,5.50478209214577,46.73154968127691,22.906062895939964,30.92509280518132,46.786320725581064,4.253301884143733,22.90606289658171,0.17313418587829688,0.02731593742531102,0.0024832670386646383,-3.960313454522141,71.59289406032678,6.508444914575162,4.698095406481389,53.40921998269337,25.754102541738625,34.89810799133695,53.5078217618241,4.8643474328931,25.75410254178198,0.2295634920634697,0.09371663120475404,0.008519693745886731,-2.6042275724377544,209.29704287400273,19.02700389763661,5.878129950774712,0,11.900000000000004,15.994917141612257,-0.3683558680632767,0.06941542889056278,6.630812499999995,9.39516022838648,12.0,30.0,30.0,30.0,12.0,0.0,0.0,0.0,0.0,0.0,21.593725999999997,3.8223806821100412,3.1793404314916365,2.884349745656628,2.750129471945499,2.3335527931030446,2.1647599971792464,1.896210057124972,1.4567974870365559,2.04648988535922,1.6414350627090777,1.4282591169436591,1.3728744165178628,1.249629722584356,1.0045159469051799,0.6662064014268074,0.4952232450357833,3.7964335802987406,3.2066015821311873,2.8797760050428267,2.7929956936812452,2.4054545878412825,2.2212038864956756,1.7362037749097856,1.5561429069408665,2.030082219025941,1.5709858077319847,1.3509130322059413,1.2852290050479291,1.1345406859483504,0.8992839599164889,0.5220817917883059,0.44716313899783766,3.9073950451559245,3.3389025524817764,3.07306088511637,2.981537655322021,2.704236987233519,2.5018047458599013,2.143565665775365,1.9628467004754984,1.8856036192038506,1.3647289061730372,1.082012931550489,1.0189282736728753,0.7603185604309004,0.5469073135708504,0.037619228519400055,0.007417982466998666,3.797746308190237,3.227567069225967,2.8979901226527005,2.824624263979155,2.4575399160416875,2.2673524130994975,1.7158244337468276,1.6278737503491418,2.0196477760491325,1.5264509464835958,1.3034594991253072,1.22859650484016,1.0582626705327127,0.8308477895800104,0.4496469637419673,0.42534701847017203,3.935199321881533,3.405440360206809,3.1485256871440876,3.072480534273648,2.8389820851496497,2.623951434479943,2.1994794746450697,2.1415484939179597,1.8561726186588094,1.3036611788394072,1.0073639661022795,0.9339036709558708,0.6313372621875604,0.42873462870539863,0.07115896539030997,0.13516428868844033,3.921433977933031,3.314611060733271,3.0705192483204,2.849225422393414,2.707971440387128,2.5418329086434612,2.3058879288496814,1.7444774680820088,1.9722091056895694,1.425714357375436,1.1655300996609566,1.1421317085379052,0.813234598281864,0.6881247714866908,0.2702780539723629,0.12645300510825724,0,0,0,0,0,3,4,3,0,0.0,0.0,0.0,0.174230856264669,0.6098079969263416,0.0,0.0,0.0,0.1310943487475822,0.3978259866524645,2.1215910782459932,0.38090084052856843,0.348461712529338,0.10206207261596577,1.5135763147304455,0.2199132028137237,0.2621886974951644,0.05892556509887897,3.256855881459634,5.3520440395781375,6.7090338787537664,2.410603378264545,3.597301420846258,4.376298496859629,8.112884175122364,5.019385277895634,5.7502917569328655,4.180269214868453,3.5172644124076675,2.5288746551321832,1.7124152736794278,0.44176824351876165,0.7375349250111239,0.4182821064913029,0.2875145878466433,0.1741778839528522,0.1134601423357312,0.0665493330297943,0.050365155108218464,0.031554874537054405,7.814025684399679,4.7205267871729495,4.9296915177288065,3.5358886933172706,2.7441046734468877,1.9554813892230885,1.2884512531316739,0.31605924827905824,0.7103659713090618,0.39337723226441246,0.24648457588644032,0.14732869555488629,0.08851950559506089,0.05146003655850233,0.03789562509210805,0.0225756605913613,15.591249338489726,28.321194464675887,26.878431372549027,27.23999999999999,17.66722994011976,222.15151137724553,0.5376292875341285,0.9765929125750306,0.9268424611223802,0.9393103448275859,0.6092148255213711,7.660396944042949,2.744100000000001,45.52700000000002,54.94304498732543,71.59820997592706,109.88608997465086,9.989644543150078,54.94304498732543,0.06649475811344174,0.006044978010312885,-2.981695375767888,103.97075935125042,9.45188721375004,5.1085206694767695,82,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,4.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.060185185185185,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3916666666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.756550925925926,0.0,5.314675925925926,0.0,0.0,0.0,0.8234490740740739,0.0,0.0,0.0,0.0,0.0,0.3784722222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.060185185185185,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.060185185185185,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2442824074074075,0.0,1.2788657407407409,0.0,0.0,0.0,0.8234490740740739,0.0,0.0,0.0,0.0,0.0,0.15798611111111116,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.060185185185185,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.060185185185185,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.267986111111111,0.0,1.3784722222222223,0.0,0.0,0.0,0.8234490740740739,0.0,0.0,0.0,0.0,0.0,0.22048611111111116,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.060185185185185,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.333333333333332,1.7575757575757576,0.3111111111111111,6.060185185185185,-0.29166666666666674,0.15798611111111116,5.923195347222222,1.0920138888888888,2.560185185185185,6.633472222222222,1.0920138888888888,2.560185185185185,6.633472222222222,5.33333,0.48485,0.0,0.01515,0.47816,0.7697,0.44194,0.47816,0.7697,0.03623,0.0,-0.03623,0.0,0.62992,0.08437,0.0,0.28125,0.09375,0.1875,6.5,0.59091,6.5,0.59091,0.0,0.0,-6.5,-0.59091,0.0,0.0,13.36651,1.21514,14.57322,1.20671,0.1097,4.61397,0.41945,5.01938,0.40541,0.03686,0.39462,0.03587,0.39462,0.03587,0.27586206896551724,34.01,1,1,1,1,0,0,1.0,1.1242592373746325,1.7609624596749827,2.675766770467425,2.951628839432942,3.020594356674321,3.115590477438579,32.60351788386434,51.067911330574496,77.59723634355532,85.59723634355532,87.59723634355531,90.3521238457188,0.23142520287795176,0.36248854440583067,0.5507981141036057,0.6075834471961393,0.6217797804692727,0.6413344310246241,3.7337217577529405,3.09701853545259,2.182214224660148,1.9063521556946306,1.8373866384532516,1.7423905176889938,0.2291184642226998,0.3588754273940767,0.5453080149906205,0.6015273383259325,0.6155821691597605,0.6349419080643278,9.465905525546166,17.10634419315037,19.54446894150022,19.822489639982983,20.65007584687953,21.790029296050626,40.80778379514381,28.780779103416045,27.001057394852275,26.054319745056333,24.8717069194863,22.97503213175805,7.638888888888889,2.025,1.1111111111111112,0,0,0,2.45,1.3591000000000006,0.944940787421155,3.8883225944793316,1.1905507889761497,3.4641016151377553,3.3019272488946267,2.8284271247461903,4.298279727294167,0.0,1.1547005383792517,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.388,0.404,0.41500000000000004,0.41300000000000003,4.784,20.0,24.0,31.0,38.0,34.0,14.0,4.0,0.0,0.0,188.0,2.5649493574615367,3.044522437723423,3.2188758248682006,3.4657359027997265,3.6635616461296463,3.5553480614894135,2.70805020110221,1.6094379124341003,0.0,0.0,5.241747015059643,1.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.25,0,3.0,4.0,0.3333333333333333,5.0,2.222222222222223,1.25,0.6666666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.4166666666666667,0.11111111111111116,0.078125,0.09523809523809525,0.0,0.0,0.0,0.0,0.0,0.0,0.7011408730158731,23.733748422603323,32.48572988948414,48.49673892030172,4.408794447300156,23.733748422884766,0.02755412270605473,0.0025049202460049754,-3.950763421083536,85.38029676344456,7.761845160313142,4.8918268928315225,9.23,165.59361425842792,4.459431618637298,4.174387269895637,5.030437921392435,5.983936280687191,6.859614903654202,7.80994708647679,8.690305809124883,9.639326675125693,10.52085998803243,11.469443686358268,93.17825962074753,3.2188758248682006,0.0,4.653960350157523,0.0,6.315358001522335,0.0,8.073714641109857,0.0,9.87225485010503,10.055521708391627,154.135765196,5.315026386068966,21.99414927298928,1.9994681157262981,2.9811523454619255,2.9811523454619255,0.0,128.0,16.0,2.595,64.0,1.2621464061323002,2.1528167035483796,2.9411694022304244,3.6316802533695434,4.419987227857819,5.09472379671495,0.0,0.0,0.0,0.0,98.79719123667466,138.98944139492764,113.91849790675086,67.750636300933,27.413531999166402,5.176565439785379,0.0,0.0,0.0,0.0,315.80616496305794,431.4762894339468,465.2841010266515,393.7438188679082,310.2805954259969,158.36309244326617,0.0,0.0,0.0,0.0,9.493499588519166,16.11517017807272,22.354060691463243,25.80584970308495,30.520511589972436,34.228718418172726,0.0,0.0,0.0,0.0,2.2508176945094758,3.120230841642916,3.6499348874695765,3.5919551050135317,3.347707489675373,2.26517994666076,0.0,0.0,0.0,0.0,180.36924401079975,327.4843906415987,462.8801747992607,593.206609826177,751.6206460036386,942.1043622005952,0.0,0.0,0.0,0.0,2.6682255916843762,4.479274206343554,6.088768698456142,5.713557922395071,6.065658885075843,5.09472379671495,0.0,0.0,0.0,0.0,0.48603315926559865,0.7004785922919712,0.8251935570221001,0.7844719624805623,0.7369935794458128,0.5216997167836109,0.0,0.0,0.0,0.0,312.93849481367175,195.7078654977512,8.485865176123836,71.18190363949537,-44.516282446002315,-6.401014497349776,241.75659117417638,240.2241479437535,14.886879673473612,0.8146885613829905,0.5094961535129522,0.02209168065610672,0.1853114386170097,-0.11589148252804869,-0.01666408376937629,120.20605931916195,75.17538327541502,3.2595939126725426,27.342421188657905,-17.099612150812135,-2.458760239226495,0.10684115787305318,0.5889618614926498,0.0,7.027872393589823,372.1877541631301,11.932644290036988,0.9689351454958156,0.031064854504184437,829.2777849109007,28.797183628106772,9.395069788644145,1003.6444343830776,31.68034776297567,10.012133386748639,1684.498785552968,41.042645937524156,11.89844572961942,1.1019952517142422,1.1019952517142422,482.2699165620443,469.98745192355017,297.4537798566139,1.0261336012019573,1.6213272421500917,1.580035231524391,4.073498007360929,3.9415117617819075,6.5309131143382295,0.6569563936517816,5.020714400424293,8.878148833025103,13.399556668037052,27.007397750610664,16.688303505742127,12.23320196940676,9.586379253259949,19.89164473513599,12.186480342947414,4.354881749747294,2.795870914834752,2.229953744992795,2.793471219550018E-10,1.637352341879529E-41,1.8614786528659813E-94,4.0819074376040865E-169,1.726411106331632E-265,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4215329151187679,9.350559103392532,1.27366826409739,15.420710208916182,3.299880218228095,1.6797021835040522,0.6497353964729842,1.0798048585605236,1.0559239699184908,0.12487028783350708,0.025007269697689887,0.01570574655878823,1.9674646208261787E-12,1.1532006422438758E-43,1.3110546356468083E-96,2.8749207841371445E-171,1.2159254582390198E-267,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3602850573526017,8.45367811025766,3.4130445974232915,14.50504202818521,4.630974452245514,3.046856660825344,1.7403178364934628,3.839489632933041,2.3467691783071807,0.5616378449390805,0.21885822526956472,0.16366598833681983,2.0502498272204852E-11,1.2017239814549854E-42,1.3662200131877048E-95,2.995889114628462E-170,1.2670880758306586E-266,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.739142061651938,9.357855803448283,12.53845454756271,28.33087847724923,16.15611170371918,12.053585121913505,9.065967218305286,18.357853872538687,11.157981306888836,3.944982487569796,2.494730839459252,1.9868486397216416,2.4889325642413456E-10,1.4588514584722464E-41,1.6585439664936182E-94,3.636906038111358E-169,1.5382012142258228E-265,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.004720508683562,8.113484222340137,4.981359387096022,14.714385012170236,5.999551990594689,4.030193833740507,2.6342197794642224,6.054664255681953,3.5242143189572976,0.9881516306769357,0.4623085420855306,0.3555043968016611,4.45341659269322E-11,2.6103050700432797E-42,2.9676124320167347E-95,6.507471487532328E-170,2.7522846174107456E-266,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.063265638920987,9.187451528926035,16.722757391737854,32.63437415431694,21.113350093802996,16.164162914682713,12.941244696308773,26.004477183379613,16.38864890904081,6.043936380006485,4.060176557669674,3.252177962511616,4.074015238894728E-10,2.3879245096828655E-41,2.7147916705133783E-94,5.953078373664275E-169,2.517808347753497E-265,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.4861594145881214,8.898781322413683,7.327469412484116,29.862548022547212,11.351522662604275,8.606696816746295,5.404206117367962,10.639631506524521,7.053228751921023,2.225876439087814,1.142831082894963,0.8895106351217799,1.1142932288509769E-10,6.531266959297844E-42,7.425288809216103E-95,1.6282400859140958E-169,6.886515216392107E-266,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.21104135297342,1.6539277191824227,1.4647946346721956,0.5072924522458252,0.261293753730222,0.5064598335108756,0.5568876563303163,0.4637971472491305,6.329763706828038,12.437010895863818,26.546050333432472,0.26093867836873774,1.5271446370903223,2.124981258287289,1.018409089100929,0.9261220043260768,0.5221709813442719,0.2502533475962841,0.22216703847039226,0.22272968943981666,0.17422931685921014,4.069512351714295,5.075263196511322,11.148996388581294,0.2832564720164078,0.6191260447694191,2.612182311137876,1.2349350265518841,1.1491050419470978,0.5228314739921041,0.2471737510294014,0.3354648403913752,0.3094348051806332,0.2839788752672188,4.996222379636858,7.6466173614648145,16.349709464434284,0.28424721098815603,0.9288785208392272,3.145704944325703,1.6157185912672645,1.4595083515791094,0.5056645855281472,0.25972291942288744,0.48606480929561013,0.5319124420474125,0.4606829375355122,6.2209318871720765,12.031911376791658,25.670902407836707,0.25849687829222084,1.4786601888785347,2.8273456223761086,1.3758321721580806,1.224728871802449,0.5208906114600381,0.25347380799505287,0.3928981056214406,0.38432406356520094,0.32301213132768264,5.427906666336638,9.037706267360326,19.229750767350104,0.28133591719005724,1.1002343005143242,3.27926769054765,1.7040202241260527,1.5098430763196777,0.505036429281393,0.2624342904046905,0.5281558474546205,0.5913798844648744,0.49304914671786343,6.4931309909933805,13.111921220293945,28.04196241359264,0.2575546439220896,1.6125848786373584,3.1847380850720333,1.631810964159709,1.4591608726516967,0.5074705690214955,0.26002013867300877,0.4981704484055038,0.542363340775946,0.46044531598800303,6.275709921883439,12.225010439044228,26.08381967475024,0.2612058535322431,1.5009791051694528 +UMLCN0013,L,2-methyltetrahydrofuran,CC1CCCO1,Cyclic Ethers,,C5H10O,NREL (2014),IQT,PubChem,,21.3,0,-0.7175999999999999,0.5149497599999998,21.4511,16.269930000000002,0,0,16,6,10,0,5,0,1,0,0,0.0,0.0,0.0,0.0,0.0,987.4492460000001,1082.4553419999997,1389.6321309999987,596.2323379999998,135.29577600000002,12.192768000000001,0.0,0.0,0.0,2644.81273002031,3446.8927748541487,4755.848717244545,3546.2671410368025,1582.5385857382093,373.00493317116315,0.0,0.0,0.0,118.23893599999997,121.406152,235.75248400000018,275.4837200000001,165.23481600000005,80.62156799999998,0.0,0.0,0.0,19.033833048489992,24.969723100000003,36.14876603709402,31.80430831503698,17.360023767886,5.335354858188001,0.0,0.0,0.0,2668.5995864949905,2345.0895583190004,4929.104367532445,6250.646341061787,4120.0726054684865,2219.011824290988,0.0,0.0,0.0,34.77777777777778,35.416666666666664,65.41666666666666,66.33333333333334,31.0,12.0,0.0,0.0,0.0,61.71557787500001,67.65345887499998,44.82684293548383,16.11438751351351,5.6373240000000004,1.016064,0.0,0.0,0.0,165.30079562626938,215.4307984283843,153.41447474982402,95.84505786585953,65.93910773909205,31.083744430930263,0.0,0.0,0.0,7.389933499999998,7.5878845,7.6049188387096835,7.445505945945949,6.8847840000000025,6.718463999999998,0.0,0.0,0.0,1.1896145655306245,1.5606076937500002,1.166089227003033,0.8595759004064049,0.7233343236619166,0.4446129048490001,0.0,0.0,0.0,166.7874741559369,146.56809739493752,159.003366694595,168.93638759626452,171.66969189452027,184.917652024249,0.0,0.0,0.0,2.173611111111111,2.2135416666666665,2.1102150537634405,1.7927927927927931,1.2916666666666667,1.0,0.0,0.0,0.0,0.1660664512734613,-0.04031350503490105,-0.022763372943204383,-0.049256073004768045,0.01621601632202164,0.013083709024121152,0.0,0.0,0.0,523.7576237500001,26.430968500000375,-72.68295589062464,-423.3849432968755,-21.968757875000243,229.7268766874997,0.0,0.0,0.0,766.4429153884305,-57.19330086541288,-170.85706708923863,-361.92672493984617,-125.22542376374541,331.981058964027,0.0,0.0,0.0,1.0366599999999992,0.03586600000000119,-0.1961262499999973,-0.6537087499999985,0.13831599999999677,0.15732299999999766,0.0,0.0,0.0,3.391946473183749,-0.591328797500001,-1.0129175541688917,-0.5934013530372961,-0.7421674448183749,1.2438419129326883,0.0,0.0,0.0,18.82152525496499,-3.7929094778124703,-6.033480688270039,-1.6841236900126972,-4.285315737684004,6.385066966296723,0.0,0.0,0.0,6.33333333333333,-0.5833333333333331,0.08333333333333406,-4.333333333333338,0.33333333333333265,1.333333333333333,0.0,0.0,0.0,0.010379153204591332,-0.0025195940646813154,-7.34302353006593E-4,-0.0013312452163450823,6.756673467509016E-4,0.0010903090853434294,0.0,0.0,0.0,32.73485148437501,1.6519355312500235,-2.3446114803427305,-11.44283630532096,-0.9153649114583434,19.143906390624974,0.0,0.0,0.0,47.902682211776906,-3.574581304088305,-5.511518293201246,-9.781803376752599,-5.217725990156059,27.66508824700225,0.0,0.0,0.0,0.06479124999999995,0.0022416250000000743,-0.006326653225806365,-0.017667804054054013,0.005763166666666532,0.013110249999999804,0.0,0.0,0.0,0.2119966545739843,-0.03695804984375006,-0.03267475981189973,-0.01603787440641341,-0.030923643534098957,0.10365349274439069,0.0,0.0,0.0,1.1763453284353118,-0.2370568423632794,-0.19462840929903352,-0.045516856486829654,-0.17855482240350018,0.5320889138580602,0.0,0.0,0.0,0.39583333333333315,-0.03645833333333332,0.0026881720430107763,-0.11711711711711725,0.01388888888888886,0.11111111111111109,0.0,0.0,0.0,-0.24275526288278945,-0.07074780943418064,-0.12826144774086112,0.06509850403325897,0.10504798068315624,0.0,0.0,0.0,0.05046412176449082,-0.07162432007555801,-0.34956127144132154,-0.027963007924299434,0.5848172673018767,0.0,0.0,0.0,-0.07462173596637334,-0.11505656966837309,-0.20420157964239707,-0.10892346209526609,0.5775269143530499,0.0,0.0,0.0,0.034597650145661275,-0.09764672275664336,-0.2726881184427531,0.08894976816570967,0.2023459957941823,0.0,0.0,0.0,-0.17433317482305902,-0.1541286577260427,-0.07565154477858227,-0.14586854493643422,0.4889392851631857,0.0,0.0,0.0,-0.20151977198616924,-0.16545176369078113,-0.038693447737300775,-0.15178776001176517,0.45232373606295173,0.0,0.0,0.0,-0.09210526315789475,0.0067911714770798595,-0.2958748221906121,0.03508771929824556,0.280701754385965,0.0,0.0,0.0,1.168142891468499,1.4426044390012969,1.471256871648676,0.07886983107470193,0.021632994222496052,0.0,0.0,0.0,1.1119781856683664,1.1723100479260569,1.3116369879418432,0.7223403745729249,0.0,0.0,0.0,0.0,1.418997241754255,1.1776014331308506,1.047584767735567,0.917906804110816,0.0,0.0,0.0,0.0,0.8528386838500573,1.4499101643429306,1.6132855986038326,0.07149161730943604,0.0,0.0,0.0,0.0,1.5990667535913856,1.2418989059299463,0.9098059255770761,0.9272186088482388,0.0,0.0,0.0,0.0,1.6384273487646086,1.2684747076962435,0.8831864005151449,0.9076895692550973,0.0,0.0,0.0,0.0,1.0197368421052637,1.264855687606113,1.566500711237554,0.2713815789473686,0.0,0.0,0.0,0.0,16.016994905106618,8.13349745255331,11.884654007346356,16.183661571773285,2.697276928628881,8.134370590930034,0.25000000000000355,0.055117943000642315,0.009186323833440386,-1.7389679829234512,44.35645529660111,7.392742549433518,2.275354950983021,16.021685120509723,8.135475349804207,11.887653046875855,16.18786217324218,2.6979770288736975,8.136346483830826,0.24926557909869107,0.05515614266838258,0.00919269044473043,-1.7385522950232182,44.49274277624183,7.415457129373639,2.2771956553155883,20.345928417683737,9.973466969812858,14.99135977348742,20.07993209897839,3.3466553498297316,9.973590444004403,-0.39899447805802346,0.021451743147225255,0.0035752905245375424,-2.305169622783045,36.16622678310224,6.027704463850373,2.1528754329355433,16.026608129920856,8.137551465069897,11.890802322040843,16.192271330066816,2.6987118883444694,8.138420500699501,0.2484948002189391,0.05519587169535884,0.009199311949226473,-1.73812026997405,44.63769083566266,7.43961513927711,2.27914715288598,25.49126936388044,12.055744022149366,18.783117426938542,25.130504609100726,4.18841743485012,12.05576110886116,-1.082294264339156,0.038544703577912176,0.006424117262985363,-1.9535619476321067,27.94976165891953,4.658293609819922,1.9982452032934732,16.510852554621117,8.341993370249703,12.20708727616931,16.626275345206643,2.771045890867774,8.34268074014038,0.17313418587828977,0.057424239362014455,0.009570706560335743,-1.714373265755094,121.97074275592098,20.32845712598683,2.88226872149841,15.52983281248321,7.9601251427809245,11.812741358568331,15.76667885699042,2.6277798094984037,7.9613188912739306,0.4607142857142783,0.06607019877679073,0.011011699796131787,-1.6302224906197376,31.147394176607712,5.191232362767952,2.0632383526156692,0,11.996877606076364,15.997417287365128,-0.4000298189620768,0.07002786402267712,5.265493363876632,6.661509119096364,6.0,16.0,16.0,16.0,6.0,0.0,0.0,0.0,0.0,0.0,12.848069999999998,3.592237583658395,2.781344608190245,2.3335486030583232,1.9061247283766682,1.115103822137874,0.5931519709278709,0.08392307051869144,0.0839230705186914,1.76558813972895,1.5798000510545158,1.1246999131459723,0.6294041451845148,0.4703747412009609,0.08392307051869108,0.08392307051869109,0.08392307051869123,3.549552420581639,2.827024020894796,2.301276039112743,1.8725859292994347,1.214691832785477,0.4550683149663902,0.2709139018929374,0.2709139018929372,1.7058779384136409,1.5626115117976334,1.0436441043672757,0.48581724079950855,0.3528791483808843,0.2709139018929369,0.270913901892937,0.2709139018929371,3.7113433904175404,3.028135011737171,2.592110984951869,2.244261009038832,1.6962631442250498,1.0961161164712871,0.943918426802623,0.9439184268026226,1.51132651972934,1.2990469549276247,0.6709386862407574,0.003416350202988759,0.15992107009480136,0.9439184268026217,0.9439184268026217,0.9439184268026222,3.549975424302387,2.8607544533303226,2.3262877992413253,1.8890275937978498,1.2940513014994726,0.43194762193865094,0.39927724550898214,0.39927724550898197,1.670923055245592,1.551218672477549,0.9866212804806991,0.38995292667072906,0.27670251073244606,0.39927724550898164,0.39927724550898175,0.39927724550898186,3.7480679586119723,3.124761748262237,2.6909865980007073,2.354834662898046,1.8902227609328603,1.20834127239211,1.2076448229620886,1.207644822962088,1.4541279949100887,1.2499208152186077,0.5600398931043953,0.17611750093754402,0.318366389203266,1.2076448229620875,1.207644822962088,1.207644822962088,3.802004119591907,3.0005503627440495,2.6710196261495067,2.2431627251713313,1.5002560964427734,1.1489068668156117,0.6382978723404259,0.6382978723404258,1.6074041009718636,1.3173577910166692,0.7525452792659663,0.2228105478634318,0.04025016290362303,0.6382978723404251,0.6382978723404257,0.6382978723404258,0,0,0,0,0,2,3,0,0,0.0,0.0,0.14433756729740646,0.14433756729740646,0.0,0.0,0.0,0.08333333333333333,0.08333333333333333,0.0,0.2886751345948129,0.0,0.0,0.0,0.16666666666666666,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.0,0.23570226039551587,0.25,0.0,4.405777393935816,2.893846850117352,2.3896287658987125,1.643846850117352,1.1299361269508954,0.2886751345948129,0.0,0.0,0.734296232322636,0.482307808352892,0.3413755379855304,0.23483526430247886,0.16141944670727076,0.14433756729740646,0.0,0.0,4.106918903213131,2.509975954643818,1.8236365546127304,1.1573569043840914,0.7386419420963561,0.16666666666666666,0.0,0.0,0.6844864838688552,0.4183293257739697,0.26051950780181865,0.16533670062629877,0.1055202774423366,0.08333333333333333,0.0,0.0,8.423938123346227,15.769847050254914,14.9764705882353,15.200000000000006,9.473011976047902,123.29579640718565,0.5264961327091392,0.9856154406409321,0.9360294117647062,0.9500000000000004,0.5920632485029939,7.705987275449103,1.1853,24.647999999999993,18.09925825304857,25.291618651911577,36.19851650609714,6.033086084349524,18.099258274357467,0.06483357154617181,0.010805595257695302,-1.6415590382186902,30.976184639674084,5.16269743994568,2.0599312030858092,29,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,3.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.152777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1180555555555554,0.0,3.5162037037037037,0.0,0.0,0.0,0.5462962962962961,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.152777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.152777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1180555555555554,0.0,0.9872685185185185,0.0,0.0,0.0,0.5462962962962961,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.152777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.152777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1180555555555554,0.0,1.2650462962962963,0.0,0.0,0.0,0.5462962962962961,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.152777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.333333333333332,1.8888888888888886,0.45,5.152777777777778,0.16666666666666674,0.5462962962962961,2.841986111111111,0.7870370370370372,1.6527777777777777,3.541666666666667,0.7870370370370372,1.6527777777777777,3.541666666666667,2.83333,0.47222,0.0,0.02778,0.49792,0.82778,0.43333,0.49792,0.82778,0.06458,0.0,-0.06458,0.0,0.57047,0.14382,0.0,0.17647,0.17647,0.0,3.5,0.58333,3.5,0.58333,0.0,0.0,-3.5,-0.58333,0.0,0.0,4.36053,0.72676,5.2306,0.87007,0.14501,2.40981,0.40163,2.89384,0.48403,0.08067,0.02016,0.00336,0.10616,0.01769,0.3125,6.01,1,1,1,1,0,0,1.0,1.198192411043098,1.7987949406953985,3.077819531114783,3.327819531114783,3.327819531114783,3.327819531114783,19.171078576689567,28.780719051126376,49.24511249783653,53.24511249783653,53.24511249783653,53.24511249783653,0.2995481027607745,0.4496987351738496,0.7694548827786958,0.8319548827786958,0.8319548827786958,0.8319548827786958,2.801807588956902,2.2012050593046015,0.9221804688852169,0.6721804688852169,0.6721804688852169,0.6721804688852169,0.2995481027607745,0.4496987351738496,0.7694548827786958,0.8319548827786958,0.8319548827786958,0.8319548827786958,10.71860944884017,17.925839804667774,20.58889467443598,20.84085093243598,20.84085093243598,20.84085093243598,21.96987351738496,15.237949406953986,13.858458593344348,13.358458593344348,13.35845859334435,13.358458593344348,4.166666666666667,1.6326530612244898,0.9795918367346939,0,0,0,1.8999999999999997,0.7632000000000003,0.0,1.1447142425533319,1.0,0.0,2.381101577952299,1.8898815748423097,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.42000000000000004,0.41400000000000003,0.42300000000000004,0.246,2.756,7.0,7.0,7.0,2.0,0.0,0.0,0.0,0.0,0.0,35.0,1.9459101490553132,2.0794415416798357,2.0794415416798357,2.0794415416798357,1.0986122886681098,0.0,0.0,0.0,0.0,0.0,3.58351893845611,1.0,0.3333333333333333,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.16666666666666666,0,2.0,3.0,0.5,1.0,0.44444444444444464,0.2222222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.16666666666666666,0.06349206349206352,0.1111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3412698412698413,8.821870029750563,12.988302897090314,17.643740059501127,2.940623343250188,8.822274636871272,0.053128175458597854,0.008854695909766308,-1.7610287281113595,43.830782490388344,7.305130415064724,2.268201820272443,9.23,91.47014982989454,3.584962500721156,3.295836866004329,4.007333185232471,4.762173934797756,5.493061443340548,6.251903883165888,6.98933526597456,7.747164966520335,8.487764380725425,9.243871855184976,68.27844578094629,2.5649493574615367,0.0,3.713572066704308,2.3978952727983707,5.017279836814924,4.442651256490317,6.385194398997726,6.22455842927536,7.7886260656250315,8.24564690087386,86.07316494,5.37957280875,11.57549816824563,1.929249694707605,2.8911110363834682,2.8911110363834682,0.0,26.0,2.0,0.9860000000000001,26.0,1.3099113911685047,2.2411987364278456,2.97633642131149,3.7547049480031647,4.776067369326503,0.0,0.0,0.0,0.0,0.0,107.69469512277001,111.64763678088421,54.83331527816482,23.557287183007677,4.852790115547365,0.0,0.0,0.0,0.0,0.0,313.1104912592402,365.40075223465186,305.49284068983394,265.6142409214934,148.4580574930504,0.0,0.0,0.0,0.0,0.0,10.137779006235267,17.25740994989451,22.30280626080554,25.93637784303671,32.08783668239482,0.0,0.0,0.0,0.0,0.0,2.165401804424742,2.7089411016904252,2.6748252276465867,2.860102887352587,2.123501186830778,0.0,0.0,0.0,0.0,0.0,190.3085691544709,353.92725409032835,499.7134275621944,637.7152380564677,883.1791638454887,0.0,0.0,0.0,0.0,0.0,3.1527311229474986,4.9856642452959266,5.500028127242999,5.0097921140356725,4.776067369326503,0.0,0.0,0.0,0.0,0.0,0.4941376039485896,0.6439461542737043,0.6285313225700416,0.6294128130342663,0.489069298619034,0.0,0.0,0.0,0.0,0.0,257.42599630104104,120.55020949527871,9.884702851218002,45.416057860000876,-21.267919200632278,-11.248917122665135,212.00993844104016,141.81812869591099,21.133619973883135,0.8500338468981257,0.3980629765216619,0.03263979594446161,0.1499661531018741,-0.07022776034045344,-0.03714450145911146,77.95941751426005,36.507673073094146,2.9935037162343683,13.753892254219402,-6.440820338450545,-3.4066451685152273,0.127428795478547,0.8065088936777379,2.3453963224145196,22.830646879564824,274.5340626949399,28.307991466102067,0.9065255598515761,0.0934744401484239,391.70443614541784,19.791524351232216,7.316771572354512,488.5747969632944,22.103728123628702,7.876084255315995,595.6939328966106,24.40684192796378,8.41410109270685,1.7929294257952577,1.7929294257952577,235.5995734822321,164.81490647455524,94.7972656710655,1.429479763219141,2.485299252192914,1.7386040125507636,3.357482920194653,3.4129245917635758,5.575364584793257,0.6336032147467617,2.7890383463644177,2.735300741516966,12.113157079174732,2.9704763576831232,9.4797556804055,6.562286278941238,3.99992847226799,0.5288131543475946,3.0587542406351442,0.5847819769336384,1.4757364586294591E-8,7.412504921866632E-38,7.181201079525483E-89,1.3418534437392304E-161,4.836030013496852E-256,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.23409472646889026,1.9471168450606626,1.7298518621053134,2.408499233007563,1.8184746637894524,1.1276463643688985,1.0879669920665949,0.0415218813771479,0.021793092297792672,0.0041186672784087495,1.0393732542139727E-10,5.2206878250285794E-40,5.057778637605244E-91,9.450783521284947E-164,3.40605548044317E-258,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7556131782881936,1.677871834732964,3.2592744746847724,2.058219896099939,2.2061876722301794,1.7675589615426623,1.3697128481856755,0.13592074243359434,0.2251376466108765,0.042919688550182265,1.0831070669900791E-9,5.4403592308268424E-39,5.270595297167356E-90,9.848445088418461E-163,3.5493724188796744E-257,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6326265346398783,2.8079297459909074,11.628187354979202,3.146583610654264,9.627765704346123,6.161842673587878,3.7688805152356393,0.4971887557377735,2.7254671246601156,0.5210302133007185,1.314854616154851E-8,6.60440843403605E-38,6.398320874798635E-89,1.1955672602562007E-161,4.3088156763539944E-256,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.113619249573827,1.634826397097231,4.416887120572648,1.9646717400006257,2.713574820939219,2.3212882567173154,1.6412931817812062,0.20222729920185223,0.4884137715985307,0.0932272987442382,2.352653281447237E-9,1.181718722621332E-38,1.1448437277322957E-89,2.1392138746550017E-162,7.709711184473392E-257,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.3681609107753014,3.295372376273186,15.44843271690805,3.459940020701151,12.709642673276377,8.62286685428259,5.209965196010117,0.6479396306731393,4.460090045099671,0.852849554627735,2.1522229328775467E-8,1.081044178967104E-37,1.0473106873915388E-88,1.9569671381964676E-161,7.052895276978057E-256,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8559970012307676,2.700532673462525,8.070007612566688,3.35465874504168,7.829513821055788,4.061611272513611,2.776857894286824,0.32129494259299113,1.246955035638029,0.23825431382538462,6.012507074542841E-9,3.0200336938343007E-38,2.9257949169637554E-89,5.467035307221854E-162,1.9703155328869024E-256,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.7757759982476533,1.166565967077803,0.5743532367739679,0.6145590689753503,0.2582786561589471,0.5591352866062649,0.6548599207091472,0.49144053309234165,4.516695202099424,5.50242268004165,11.878945923222343,0.4218386034630253,1.7054357404077538,1.7770474573984871,1.055307935682463,0.13954314351464592,0.597950244773212,0.3550955467313335,0.23551216707064193,0.5234994569613788,0.028621063123195234,2.971898536595596,2.2705680589781436,5.504156357600432,0.42956868725681824,0.787632687155216,2.277783123167647,0.9817856434829463,0.31686567632665247,0.6368865862032911,0.27451520757239073,0.3790447109431739,0.4627458786433716,0.14947304185908583,3.576434442977246,3.269140231071716,7.554179728586979,0.4553298793049367,0.9912636314456312,2.6934185907101273,1.1966440423392983,0.5515303696250898,0.6064082389107419,0.26941776106427046,0.5269800624703168,0.6878659370486171,0.451983138775216,4.441593002674516,5.368550991969682,11.587761293388265,0.4096123583661129,1.6668291382941498,2.493885018301887,0.9805945015905999,0.402322533879185,0.6432840737575524,0.25293901725949536,0.45273336184474255,0.46312212648206463,0.2419477618348227,3.876802053771672,3.8433513409004822,8.704029102519389,0.4649261106363286,1.15780325016163,2.8217859600261708,1.2025809368470246,0.6042618809382777,0.6096375612477566,0.25981364991115874,0.5775661612360096,0.6956594177810415,0.5435257575225331,4.628628777811473,5.82519751408039,12.504344271525198,0.41445634187163494,1.8167513365395842,2.735436458992779,1.1779394254824127,0.559763507876162,0.6115249758749117,0.26333617671217174,0.5434200149284032,0.6671076552803077,0.4658868200848553,4.473139392351354,5.4127434636814105,11.689540768739292,0.41728746381236764,1.6764144902935663 +UMLCN0014,L,"2,3-dihydrofuran",C1COC=C1,Cyclic Ethers,Olefins,C4H6O,Marquardt (2015),IQT,PubChem,,20,0,-0.48370000000000013,0.23396569000000011,18.8032,11.842758,0,0,11,5,6,0,4,0,1,0,0,0.0,0.0,0.0,0.0,0.0,839.1208690000001,889.7628689999999,976.4972369999997,164.45721600000002,6.0963840000000005,0.0,0.0,0.0,0.0,2096.9608505472575,2564.429407622744,3216.847637472561,1496.2566502275797,186.50246658558157,0.0,0.0,0.0,0.0,83.82456399999998,85.39510800000001,148.59843600000005,139.50144,40.310784,0.0,0.0,0.0,0.0,14.466481429094001,17.726645859999998,23.560808557697996,14.738493081943002,2.6676774290939997,0.0,0.0,0.0,0.0,1802.1346223079943,1605.8050113774002,2990.5607886530483,3228.0793236742934,1109.505912145494,0.0,0.0,0.0,0.0,30.75,31.5,49.25,34.0,6.0,0.0,0.0,0.0,0.0,76.28371536363638,80.88753354545453,51.39459142105262,8.655642947368422,1.016064,0.0,0.0,0.0,0.0,190.63280459520522,233.12994614752216,169.30777039329269,78.75035001197789,31.083744430930263,0.0,0.0,0.0,0.0,7.620414909090908,7.763191636363637,7.820970315789476,7.342181052631579,6.718464,0.0,0.0,0.0,0.0,1.315134675372182,1.6115132599999997,1.2400425556683157,0.7757101622075264,0.44461290484899996,0.0,0.0,0.0,0.0,163.83042020981767,145.98227376158184,157.3979362448973,169.89891177233122,184.917652024249,0.0,0.0,0.0,0.0,2.7954545454545454,2.8636363636363638,2.5921052631578947,1.7894736842105263,1.0,0.0,0.0,0.0,0.0,0.1528155167130621,-0.029019425611581114,-0.04982278602771128,-0.02040259213432604,0.02283704541708739,0.0,0.0,0.0,0.0,392.5073889090908,22.48869454545473,-165.62749829752048,-225.74401511570272,172.62912441322297,0.0,0.0,0.0,0.0,549.2305619686947,-51.166832557525666,-190.25818882160104,-270.31372429570223,237.1234646904815,0.0,0.0,0.0,0.0,0.9667367272727266,0.0013207272727276105,-0.3690041652892553,-0.25530561983471106,0.1396206942148752,0.0,0.0,0.0,0.0,2.4797785848609086,-0.5434660050909094,-0.693733955127025,-0.8558890526038423,0.8531997203913225,0.0,0.0,0.0,0.0,13.949468307224528,-3.5123204556363543,-3.6548578165051153,-4.126774180209214,4.31921829873842,0.0,0.0,0.0,0.0,6.0,0.75,-2.5,-2.75,1.5,0.0,0.0,0.0,0.0,0.013892319701187462,-0.0026381296010528285,-0.0026222518961953305,-0.001073820638648739,0.0038061742361812315,0.0,0.0,0.0,0.0,35.68248990082644,2.044426776859521,-8.717236752501078,-11.881263953458038,28.771520735537162,0.0,0.0,0.0,0.0,49.93005108806315,-4.651530232502333,-10.013588885347422,-14.227038120826434,39.52057744841358,0.0,0.0,0.0,0.0,0.08788515702479333,1.2006611570251004E-4,-0.019421271857329225,-0.013437137886037424,0.023270115702479197,0.0,0.0,0.0,0.0,0.22543441680553714,-0.04940600046280994,-0.036512313427738155,-0.04504679224230749,0.14219995339855376,0.0,0.0,0.0,0.0,1.268133482474957,-0.3193018596033049,-0.19236093771079554,-0.21719864106364284,0.7198697164564033,0.0,0.0,0.0,0.0,0.5454545454545454,0.06818181818181818,-0.13157894736842105,-0.14473684210526316,0.25,0.0,0.0,0.0,0.0,-0.1898984228549917,-0.18875551042574917,-0.07729599244372075,0.2739768676541395,0.0,0.0,0.0,0.0,0.05729495846679046,-0.24430012526393732,-0.3329718297820595,0.8063204337898737,0.0,0.0,0.0,0.0,-0.09316093477049098,-0.2005523460748348,-0.2849393864174858,0.7915188666382483,0.0,0.0,0.0,0.0,0.001366170577229988,-0.22098466356327134,-0.15289428091078755,0.26477867810959765,0.0,0.0,0.0,0.0,-0.21915908477022053,-0.16196423751584563,-0.19982216061164024,0.6307819161491096,0.0,0.0,0.0,0.0,-0.2517888408561994,-0.15168824131618516,-0.17127427361964007,0.5676608388664789,0.0,0.0,0.0,0.0,0.125,-0.2412280701754386,-0.2653508771929825,0.45833333333333337,0.0,0.0,0.0,0.0,1.0553463033137718,1.388522782284891,0.881182926311435,0.044463700036385036,0.0,0.0,0.0,0.0,0.8780429286454771,1.2038610862645174,1.182535112940734,0.0,0.0,0.0,0.0,0.0,1.1749179240786864,1.1237663114621246,1.0907548903870574,0.0,0.0,0.0,0.0,0.0,0.8422072983299772,1.4280010407033237,0.979142102368796,0.0,0.0,0.0,0.0,0.0,1.3830768739447437,1.1269585695887154,0.9670495560222231,0.0,0.0,0.0,0.0,0.0,1.4311215468578034,1.1379671158307103,0.9282256728305622,0.0,0.0,0.0,0.0,0.0,0.7196969696969697,1.3596491228070176,1.118421052631579,0.0,0.0,0.0,0.0,0.0,9.491351025982784,4.870675512991392,7.2546953718300475,9.641351025982784,1.9282702051965568,4.8929558498039745,0.2499999999999991,0.08738618330892345,0.01747723666178469,-1.2187090472638842,16.828851371716084,3.365770274343217,1.4115473785077155,9.49524029120959,4.872252935154142,7.257138881562318,9.644799638668806,1.9289599277337612,4.894491113138841,0.24926557909869462,0.08746000082420224,0.017492000164840447,-1.2182868617868001,16.82599899174789,3.365199798349578,1.4114626246031752,13.045802357878099,6.323403939910034,9.668250448902509,12.836379439434037,2.567275887886807,6.3281329448387424,-0.39899447805803145,0.11394008686342977,0.022788017372685952,-1.0860412612845125,20.325007343485407,4.065001468697082,1.505926008368452,9.499322483291813,4.873908641755376,7.259704282216855,9.648419363423177,1.9296838726846353,4.8961026681458115,0.2484948002189391,0.0875371906672206,0.01750743813344412,-1.2178457698620295,16.82301421610893,3.3646028432217863,1.4113739213883632,17.860638292808858,7.945019894331055,12.550682127744814,17.644179439941027,3.5288358879882056,7.946115413616786,-1.0822942643391569,0.13770657781475465,0.02754131556295093,-0.9913150526090534,14.963388739338638,2.9926777478677278,1.3528032334519073,9.900312982890444,5.036723584384374,7.514912158739463,10.004193494417427,2.000838698883485,5.055032884489672,0.1731341858783031,0.09388681421865563,0.018777362843731125,-1.1828326631423671,16.57269589770282,3.3145391795405637,1.4038782578561906,10.042731999630725,4.723666341155528,7.292852156270104,10.126065332964059,2.0252130665928116,4.756473621815734,0.4166666666666696,0.012010752226586097,0.0024021504453172193,-2.210976505748626,19.91527785508433,3.983055571016866,1.4957435842933546,0,11.799999999999999,15.994915648310727,-0.3530570028468462,0.19368067788123836,5.185741652097888,5.966286236597732,5.0,11.0,10.0,10.0,4.0,1.0,1.0,0.0,0.0,1.0,8.475242,3.584092170971019,2.4503968873344535,2.131280697987214,0.946406832578646,0.5556750455131324,0.08392307051869125,0.08392307051869113,0.29972717934923715,1.6696224251623595,1.3800704892598354,0.6507102850972537,0.29972717934923715,0.08392307051869113,0.08392307051869125,0.5556750455131324,0.946406832578646,3.5330490633038414,2.490100397925888,2.0079143096500554,1.004768177914356,0.4528739170504068,0.2709139018929371,0.2709139018929371,0.1561899650421207,1.6093500188109011,1.4142661790257904,0.5104449909771369,0.1561899650421207,0.2709139018929371,0.2709139018929371,0.4528739170504068,1.004768177914356,3.6827850597022453,2.677798060526462,2.3611115464674146,1.5146616718222707,1.0944883398171839,0.9439184268026222,0.9439184268026217,0.39786601139117134,1.438984057409232,1.141673316617747,0.04171682626058127,0.39786601139117134,0.9439184268026217,0.9439184268026222,1.0944883398171839,1.5146616718222707,3.52882038297905,2.5208416654001082,2.002095683897462,1.079958525140241,0.43193224481936043,0.3992772455089821,0.399277245508982,0.0653944221458422,1.571340397066109,1.4327232933265228,0.41684188670373523,0.0653944221458422,0.399277245508982,0.3992772455089821,0.43193224481936043,1.079958525140241,3.710527512730251,2.7698048398811164,2.441916084607388,1.7101034875901058,1.2083412722344562,1.2076448229620884,1.2076448229620882,0.5764453158667325,1.3890855979782755,1.1100398128596833,0.12195226297147468,0.5764453158667325,1.2076448229620882,1.2076448229620884,1.2083412722344562,1.7101034875901058,3.768037808176772,2.58121625552899,2.428944233211563,1.3275768794619138,1.0326776101513373,0.5714285714285713,0.571428571428571,0.1423137048752251,1.5482366668590304,1.1323012433413109,0.31451429549117976,0.1423137048752251,0.571428571428571,0.5714285714285713,1.0326776101513373,1.3275768794619138,0,0,1,1,0,1,1,0,0,0.0,0.0,0.17677669529663687,0.0,0.0,0.0,0.0,0.06804138174397717,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.5355339059327373,2.5,1.7677669529663687,1.25,0.8838834764831843,0.0,0.0,0.0,0.7071067811865475,0.5,0.35355339059327373,0.25,0.17677669529663687,0.0,0.0,0.0,2.9771623912162095,1.7659590187875251,1.0312509703768813,0.5948190167920578,0.34020690871988585,0.0,0.0,0.0,0.5954324782432419,0.35319180375750503,0.20625019407537626,0.11896380335841157,0.06804138174397717,0.0,0.0,0.0,6.3402825157744775,10.994173343044427,10.525490196078435,10.680000000000003,6.875902994011974,83.98198083832337,0.5763893196158616,0.9994703039131297,0.9568627450980395,0.9709090909090912,0.625082090364725,7.634725530756669,0.84659,19.439,13.999999999999993,18.618033988749886,27.999999999999986,5.599999999999996,14.000001001560843,1.1102230246251565E-16,2.2204460492503132E-17,-18.36840028483855,19.225433765858742,3.8450867531717483,1.4781170388653044,20,0.0,0.0,1.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,1.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.763888888888889,3.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.025,0.0,0.0,0.9069444444444444,0.4013888888888889,0.0,1.025,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9861111111111112,0.0,3.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.763888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.763888888888889,1.7361111111111112,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.44305555555555554,0.0,0.0,0.4013888888888889,0.4013888888888889,0.0,0.44305555555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8888888888888888,0.0,1.7361111111111112,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.763888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.763888888888889,2.013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5819444444444444,0.0,0.0,0.5055555555555555,0.4013888888888889,0.0,0.5819444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0972222222222223,0.0,2.013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.763888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.5,2.1,0.5819444444444444,4.763888888888889,0.36805555555555547,0.8888888888888888,2.0073055555555555,0.6111111111111112,1.263888888888889,2.5555555555555554,0.6111111111111112,1.263888888888889,2.5555555555555554,2.33333,0.46667,0.0,0.03333,0.55152,0.85333,0.43333,0.51282,0.85333,0.11818,0.03869,-0.07949,0.0,0.54687,0.16742,0.0,0.0,0.0,0.0,4.5,0.9,3.0,0.6,1.5,0.3,-1.5,-0.3,0.0,0.0,2.15238,0.43048,3.75,1.59762,0.31952,1.45328,0.29066,2.5,1.04672,0.20934,-0.086,-0.0172,-0.0,-0.0,0.45454545454545453,5.01,1,1,1,1,0,0,0.5,1.3221793455166668,2.550340709546389,3.0957952550009344,3.0957952550009344,3.0957952550009344,3.0957952550009344,14.543972800683335,28.05374780501028,34.05374780501028,34.05374780501028,34.05374780501028,34.05374780501028,0.3821955428728739,0.7372137942564657,0.8948855177025863,0.8948855177025863,0.8948855177025863,0.8948855177025863,2.137252273120631,0.9090909090909087,0.3636363636363633,0.3636363636363633,0.3636363636363633,0.3636363636363633,0.368812601317502,0.7113995499348622,0.8635502475627512,0.8635502475627512,0.8635502475627512,0.8635502475627512,11.879445660809393,21.111526494450175,21.661249239177444,21.661249239177447,21.661249239177444,21.661249239177447,18.114706962114546,13.08094946992177,12.4814661802515,12.4814661802515,12.481466180251502,12.4814661802515,3.2,1.44,0.64,0,3,0,1.7899999999999998,0.5793000000000004,0.0,0.0,0.0,0.0,4.242640687119286,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.42400000000000004,0.41800000000000004,0.562,0.397,2.425,5.0,5.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,25.0,1.9459101490553132,2.0794415416798357,2.1972245773362196,2.302585092994046,0.0,0.0,0.0,0.0,0.0,0.0,3.58351893845611,1.4,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.000000000000002,8.618033988749897,12.000000000000004,2.4000000000000004,6.006204681249255,0.0,0.0,0.0,13.967595206243132,2.7935190412486266,1.3183700092986783,9.23,71.53770650322791,3.321928094887362,3.044522437723423,3.713572066704308,4.394449154672439,5.081404364984463,5.771441123130016,6.46302945692067,7.155396301896734,7.848153086199526,8.54110501146255,62.01307300369413,2.3978952727983707,0.0,3.4339872044851463,2.3978952727983707,4.61512051684126,4.2626798770413155,5.860786223465865,5.8888779583328805,7.147559271189454,7.698936199813447,70.041864812,6.367442255636363,9.6875,1.9375,2.875,2.875,0.0,15.0,0.0,0.757,20.0,1.3599620235178254,2.2978053657955075,3.071262484498639,4.182673810353234,0.0,0.0,0.0,0.0,0.0,0.0,131.16707787311134,131.66610617056844,28.847855408773732,4.249864282442747,0.0,0.0,0.0,0.0,0.0,0.0,351.5688883281085,413.57659855004596,255.51927417650475,130.0131637589652,0.0,0.0,0.0,0.0,0.0,0.0,10.775460669384008,18.11972846061137,22.751096038039584,28.101143418601026,0.0,0.0,0.0,0.0,0.0,0.0,2.327957418552775,2.9609291226741625,2.4744070118114196,1.8596707528569862,0.0,0.0,0.0,0.0,0.0,0.0,196.62920096286362,358.83454071048453,517.678369412137,773.4502201938388,0.0,0.0,0.0,0.0,0.0,0.0,4.403051643455384,6.286228106293656,5.7242984126385865,4.182673810353234,0.0,0.0,0.0,0.0,0.0,0.0,0.5442043988003357,0.7106073888458594,0.5878100860816039,0.42830579818017106,0.0,0.0,0.0,0.0,0.0,0.0,207.51616831192956,87.34035319669944,10.649649981942144,58.12960063645751,-24.465851948170425,-13.432188098297942,149.38656767547207,111.80620514486986,24.081838080240086,0.7811762601505932,0.3287850340792328,0.04008966536188758,0.21882373984940692,-0.0920995355771089,-0.050564283976635496,55.12579210044544,23.20159528516094,2.8290344584841973,15.441882459734405,-6.499250053749126,-3.56820393603173,0.21075279272409242,0.8388235877544583,6.466587149969618,28.73815833938948,231.3856947695935,34.260074178793545,0.871030981165561,0.12896901883443893,332.07022699260716,18.222794159859436,6.924843767792441,390.6170680705441,19.76403471132714,7.309994866578749,452.94110844955253,21.282413125619765,7.679752892629541,1.8030514678488736,1.5603763658661567,150.8294120853915,88.73602753061564,71.87886646715988,1.69975393628425,2.098383287030586,1.2345217988538744,2.9760410796836365,3.1927049695391334,4.715435809387702,0.4769406676710171,1.8367527907119412,0.8122381358444877,6.943498607790685,2.6193597594683053,3.5920609698588257,1.1401433526706344,2.953764803556124,0.1248387995875883,3.042448181230593E-4,1.8509529077066703E-27,2.1719181457189278E-72,4.9154970840027296E-139,2.145691776356576E-227,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1541761883996747,0.8884087151742686,1.7347656969246708,2.1457545586269675,1.5755301220708533,0.09255310034972643,0.08704898773291193,8.792506751571485E-4,2.1428211307050366E-6,1.30364126726705E-29,1.529699708780506E-74,3.462024787965228E-141,1.5112282623979448E-229,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4976256196817417,0.7466577164357658,2.0760524513250447,1.740666986250865,1.3443330755781484,0.3008099128405151,0.29287265737962653,0.009162462502581839,2.232984830572232E-5,1.3584947117622904E-28,1.5940650370167653E-73,3.6076967525739514E-140,1.5748163657301347E-228,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7337468400734886,0.8881709461237475,7.460422799188204,2.7836016748237693,4.070223870691075,1.0740975149606278,2.8625723638993716,0.11122912568766219,2.7107665546314365E-4,1.649165717057372E-27,1.935139965615002E-72,4.3796194054859535E-139,1.911772742680701E-227,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7333929989031983,0.6927947529626646,2.3717542477439313,1.6305863698028684,1.3202515352898185,0.44541279006502454,0.4913971997507299,0.01990209115168937,4.850341438235472E-5,2.9508320450147574E-28,3.462522269935624E-73,7.836399430941384E-140,3.4207115837660304E-228,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2181383091852136,0.8603660811282474,9.009326120716015,3.104228905506221,4.577162422132268,1.3871615443664416,4.309052325125792,0.18206565666786168,4.437124738259381E-4,2.6994408604246093E-27,3.167538495247583E-72,7.168790530870602E-139,3.129289800328036E-227,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0173761513957913,0.9541785890397131,6.39401475701785,2.6340113390083313,4.437805744797824,0.6208879123344936,1.4806624186175465,0.04076369591303587,9.934524673406019E-5,6.043927861899331E-28,7.09197761867405E-73,1.6050602723274218E-139,7.006340494225555E-228,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7680040841686564,1.3510632235857583,0.33261752077243556,0.512214808709295,0.3914213755612156,0.3344162269578177,0.4058318520033182,0.29707850723379947,3.45168482852685,3.42614173229732,7.672345142307583,0.355454276405766,1.0373265861949355,1.3060474663920085,0.9864020626758822,0.07276930441034977,0.5521888494652999,0.417044735444331,0.4631226144602755,0.18023789105263585,0.016499764286915033,2.3652188334782407,1.4551078724277913,3.9140745213464108,0.4538503773644465,0.6598602697998264,1.373608102233643,1.1413953041628437,0.16942804872024353,0.5116942358932063,0.4251907054610233,0.2010838740691589,0.2923437856924632,0.08230676963260486,2.68443145511673,1.993941957320038,4.944007762555102,0.4053274120313443,0.575734429394227,1.70971662870412,1.3792758610911298,0.3180699952312993,0.5018154601560814,0.4048284606322334,0.30953363348073576,0.4237799202897295,0.27916937431136135,3.4070624850265494,3.340686701776393,7.497812585857108,0.35996588118247225,1.0124829280818266,1.527559960288565,1.1358347081182993,0.2190368431919849,0.5299553360215822,0.3940543612390172,0.2596441613500309,0.294340360389408,0.13077160780934907,2.882431511598849,2.3184371819697662,5.580909799692424,0.38601454589089906,0.6847561295487878,1.8113923540553936,1.3943917863643716,0.35373779464364197,0.5088864142715632,0.39173569142214953,0.3490890495654291,0.4309913291899562,0.33582382260182086,3.5595219350634073,3.6597976323137154,8.112787171161255,0.3509331585405693,1.115904201357206,1.73784130235125,1.3601134335911693,0.3225956712452869,0.5080589658025421,0.39762999274418576,0.3206623453648635,0.4105453475264179,0.2830135063774207,3.420550407187706,3.3630480883063685,7.546105399414903,0.3585334378200917,1.014221199268702 +UMLCN0015,L,2-ethylfuran,CCC1=CC=CO1,Cyclic Ethers,Aromatics,C6H8O,Marquardt (2015),IQT,PubChem,,10.2,0,-0.4230000000000006,0.1789290000000005,29.636,16.696344,5,5,15,7,8,0,6,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1129.681238999999,1202.5052869999997,1463.288875999999,818.6637119999998,461.02828999999974,103.96915200000001,6.0963840000000005,0.0,0.0,3006.162142907779,3640.9364438624402,4608.961019769524,3297.370848978308,2333.692092373038,1135.4791419806606,186.50246658558157,0.0,0.0,112.34252399999997,114.711404,189.56084000000007,195.4641360000001,134.82624800000005,103.97030399999998,40.310784,0.0,0.0,20.93350723879199,25.531534480000005,33.63827132539602,26.537458282791988,19.65138577254699,12.020644813943003,2.6676774290939997,0.0,0.0,2425.5586385364923,2165.6388189832005,3856.327223042947,4285.0301967925925,2895.1199754701975,2519.403945872943,1109.505912145494,0.0,0.0,41.27777777777778,44.666666666666664,65.25,56.83333333333334,40.5,23.0,6.0,0.0,0.0,75.31208259999994,80.16701913333331,58.53155503999996,31.48706584615384,25.612682777777763,6.931276800000001,1.016064,0.0,0.0,200.41080952718528,242.72909625749602,184.35844079078095,126.82195572993493,129.64956068739102,75.69860946537737,31.083744430930263,0.0,0.0,7.489501599999998,7.647426933333334,7.5824336000000025,7.517851384615389,7.490347111111114,6.931353599999999,6.718464,0.0,0.0,1.3955671492527992,1.702102298666667,1.3455308530158407,1.0206714724150765,1.0917436540303884,0.8013763209295335,0.44461290484899996,0.0,0.0,161.70390923576616,144.3759212655467,154.25308892171788,164.808853722792,160.83999863723318,167.9602630581962,184.917652024249,0.0,0.0,2.751851851851852,2.9777777777777774,2.61,2.185897435897436,2.25,1.5333333333333334,1.0,0.0,0.0,0.13534940142127835,-0.041264018083750985,-0.006689496246995672,-0.016844240730848066,-0.019948056333641342,0.006280571415135295,0.010790539269461573,0.0,0.0,513.6289296000001,22.342371200000322,19.918349600000248,-128.51711424000004,-307.6717445199999,-37.88520900000028,174.99888215999974,0.0,0.0,778.6923982406524,-49.2642657326465,-91.90756553908273,-39.467463005800006,-332.9259949861951,-137.988646872217,262.20773701561507,0.0,0.0,1.0071936,0.019612800000000367,-0.024707199999999548,-0.3591974399999996,-0.34431311999999964,0.09982959999999905,0.1051785599999994,0.0,0.0,3.5316771423696003,-0.514646227200001,-0.8645846694088004,0.2570532403401606,-0.8859708447493198,-0.7677498699961991,1.0100597998293608,0.0,0.0,19.71791965974291,-3.310735888566665,-5.515872723817684,2.0022350106797147,-3.8824330099173148,-4.385729580409527,5.233576362160021,0.0,0.0,7.0259259259259235,0.3407407407407398,0.6919753086419749,-2.1671604938271587,-3.7755555555555564,-0.17037037037036873,1.567407407407409,0.0,0.0,0.009023293428085223,-0.0027509345389167324,-2.675798498798269E-4,-6.478554127249257E-4,-0.0011082253518689634,4.1870476100901963E-4,0.0017984232115769289,0.0,0.0,34.241928640000005,1.4894914133333548,0.7967339840000099,-4.942965932307694,-17.09287469555555,-2.5256806000000185,29.166480359999955,0.0,0.0,51.91282654937683,-3.284284382176433,-3.676302621563309,-1.5179793463769233,-18.495888610344174,-9.199243124814467,43.70128950260251,0.0,0.0,0.06714624,0.0013075200000000245,-9.88287999999982E-4,-0.013815286153846138,-0.019128506666666645,0.006655306666666603,0.017529759999999898,0.0,0.0,0.23544514282464002,-0.03430974848000006,-0.03458338677635202,0.009886663090006177,-0.04922060248607332,-0.051183324666413274,0.16834329997156014,0.0,0.0,1.314527977316194,-0.22071572590444433,-0.22063490895270735,0.07700903887229672,-0.21569072277318416,-0.2923819720273018,0.8722627270266702,0.0,0.0,0.4683950617283949,0.022716049382715986,0.027679012345678995,-0.08335232668565995,-0.20975308641975313,-0.011358024691357915,0.26123456790123484,0.0,0.0,-0.3048703403963769,-0.02965434428265161,-0.07179810984628514,-0.12281827701840935,0.04640265379221634,0.1993089580772462,0.0,0.0,0.04349905138209396,0.02326778939283514,-0.14435419173596215,-0.49917967166102795,-0.07375988153452381,0.8517767987498485,0.0,0.0,-0.06326537390624626,-0.07081684558375179,-0.029240930368780803,-0.35628745032312636,-0.1772055913014988,0.8418206521857575,0.0,0.0,0.019472721033970398,-0.01471844141980224,-0.2057492147564203,-0.2848782994649685,0.0991165948631912,0.26106837851233217,0.0,0.0,-0.1457228977773138,-0.14688511455982675,0.04199136568032657,-0.20905337819065956,-0.21738959679679912,0.7150000970584581,0.0,0.0,-0.16790492839495785,-0.16784344856863875,0.058583035280483135,-0.16408226108169194,-0.22242354447582277,0.6635558482425953,0.0,0.0,0.04849762783342107,0.059093305218766455,-0.1779530432666963,-0.44781233526621006,-0.02424881391671037,0.5577227200843444,0.0,0.0,1.2009070785693472,1.075125405659073,1.3115433727582546,1.2117527299315127,0.21729458540034696,0.15619384474932263,0.0,0.0,0.9088733281246754,0.9404954940061461,1.1141230751626676,1.4270951449192322,0.8799733443467108,0.0,0.0,0.0,1.12063219708996,1.0385747060784696,0.9056890652226122,1.2493388091898527,1.0793423420322363,0.0,0.0,0.0,0.8519111585564747,1.08026087536696,1.4897067226430716,1.3979903058249066,0.08790736292737886,0.0,0.0,0.0,1.2630013683650194,1.1381505885878909,0.830238950830763,1.1142581315367286,1.0638903780377669,0.0,0.0,0.0,1.2982197853663773,1.1684032659069432,0.82238264456678,1.0782407517816892,1.0350892854016065,0.0,0.0,0.0,0.8302583025830261,0.9332103321033213,1.311382344592677,1.508302583025831,0.5313653136531368,0.0,0.0,0.0,19.01521767452582,9.632608837262913,14.92175171660237,19.193789103097252,2.741969871871036,9.632849288479374,0.25000000000000533,0.31840886721097317,0.045486981030139026,-0.801093283283299,30.613540766692484,4.373362966670355,2.395009693856968,19.018896708446285,9.63408114377249,14.923890513044803,19.196943550659636,2.7424205072370906,9.634321179302386,0.24926557909869196,0.31832447196391983,0.045474924566274263,-0.8012788450236654,30.624522021818876,4.3749317174026965,2.3952607429045973,22.404773137822833,11.002889329882406,17.030852648265473,22.119777082067102,3.1599681545810148,11.002943565493894,-0.3989944780580217,0.22578093533486532,0.032254419333552185,-1.0417330437323395,71.025705802228,10.146529400318286,2.9841293055477753,19.022758311169536,9.635626555694241,14.926135821884216,19.200254597040214,2.7428935138628874,9.635866155765292,0.2484948002189462,0.31823583087121055,0.04546226155303008,-0.8014737951800645,30.636075088644528,4.376582155520647,2.3955247673266657,26.345440463515885,12.561376040505127,19.6608196283369,25.881600064513396,3.6973714377876283,12.56138778694575,-1.0822942643391436,0.11687801808337103,0.016696859726195862,-1.5026371279734294,31.811070070774484,4.544438581539212,2.421870041248821,19.402434933514535,9.787784559696423,15.1487678815841,19.526102209141897,2.789443172734557,9.78798532127383,0.1731341858783111,0.30924393498825403,0.04417770499832201,-0.821537415932989,31.920417852103068,4.560059693157581,2.424272104170462,21.029022791274272,10.625015085237916,17.110023955106957,21.195576079256135,3.027939439893733,10.625110710159188,0.3886243386243411,0.41895796945245845,0.05985113849320835,-0.6089892729625971,24.530141396518303,3.504305913788329,2.2399318357374054,0,11.993916948896453,16.000540207096243,-0.37526902592942546,0.0994829374534564,5.16874373427676,7.014256949131134,7.0,15.0,13.0,10.0,2.0,2.0,0.0,0.0,0.0,5.0,10.661655999999999,3.7977841301757675,2.996713780720944,2.1871576560239028,2.1468366009243014,1.4688857556306627,0.623610810405067,0.08392307051869148,0.08392307051869123,1.7550005864541884,1.522863651812484,1.1960865357107584,0.7476206221665134,0.2781280597313315,0.030355048029112597,0.0839230705186906,0.08392307051869123,3.7184057140610856,3.0302955074108864,2.207792893194448,2.0195130841631395,1.4978626175215926,0.7314427655547937,0.2709139018929374,0.27091390189293696,1.720222577500788,1.508696389422019,1.2195573820260166,0.6293385375566501,0.12095264692630851,0.06282356540737534,0.27091390189293696,0.27091390189293696,3.8512446249447834,3.206673543599228,2.4129027683536024,2.3322786730128664,1.8906265455878533,1.2902067706917169,0.943918426802622,0.943918426802622,1.5514541718161567,1.3250044746358671,0.9234731435696806,0.1801236724911549,0.43757258931958765,0.6088048632450338,0.943918426802621,0.943918426802622,3.701741995860159,3.057152386103567,2.2400720265562275,2.0006071120557536,1.5279779518417034,0.8164246659705234,0.39927724550898247,0.3992772455089823,1.7081896564313903,1.5058649710860714,1.2079467275696791,0.5460399616369511,0.017271978589498325,0.11796290542865774,0.39927724550898214,0.3992772455089823,3.856594162800466,3.28790392676156,2.520428493397878,2.3877858028813166,2.0159700600555768,1.4966839302035895,1.2076448229620882,1.2076448229620877,1.516350185354102,1.296751658757497,0.8685364063181721,0.028147088159619783,0.6334365336882727,0.7585926168063736,1.2076448229620875,1.2076448229620877,3.942625955505491,3.0849390868483932,2.4617150926623736,2.2855672952660964,1.692546225442833,1.0023052312044338,0.5373134328358209,0.5373134328358206,1.6619137147142542,1.3383407996415408,0.9601483045527076,0.44737801281183426,0.1224396015719203,0.3828065223232739,0.5373134328358196,0.5373134328358206,0,0,1,3,0,1,1,0,0,0.0,0.0,0.14433756729740646,0.10206207261596577,0.10206207261596577,0.0,0.0,0.039283710065919304,0.027777777777777776,0.027777777777777776,0.20412414523193154,0.0,0.0,0.0,0.08333333333333333,0.0,0.0,0.0,0.49279927982674443,0.5948613524427102,0.20412414523193154,0.17955837819827097,0.17955837819827097,0.05555555555555555,5.112884175122364,3.431851652578137,2.558730744624475,2.052095140581215,1.4186112615457085,0.49279927982674443,0.20412414523193154,0.0,0.7304120250174806,0.4902645217968767,0.3198413430780594,0.22801057117569057,0.15762347350507872,0.12319981995668611,0.10206207261596577,0.0,4.347405879219288,2.455828378668748,1.4329168834026238,0.9285627862891371,0.5137569180371337,0.17170945973200152,0.05555555555555555,0.0,0.6210579827456125,0.3508326255241068,0.17911461042532797,0.10317364292101523,0.057084102004125975,0.04292736493300038,0.027777777777777776,0.0,8.882110319560352,14.88201019664967,14.250980392156867,14.440000000000007,9.674457485029938,113.75293053892217,0.5921406879706902,0.992134013109978,0.9500653594771244,0.9626666666666671,0.6449638323353292,7.583528702594811,1.842,28.085999999999984,22.877269839590344,33.16178178825405,45.75453967918069,6.536362811311527,22.877269839804896,0.10650955175902366,0.015215650251289094,-1.5676644269833528,23.731915679320544,3.3902736684743635,2.216774556747001,44,0.0,0.0,1.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,2.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.982638888888889,6.622685185185186,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.609513888888889,0.0,0.7585416666666667,0.0,0.0,1.609513888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.068287037037037,0.0,0.9930555555555556,0.0,0.0,5.56712962962963,0.0,0.0,0.0,0.0,1.0555555555555558,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.982638888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.982638888888889,1.0555555555555558,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4899305555555556,0.0,0.32590277777777776,0.0,0.0,0.4899305555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.068287037037037,0.0,0.9930555555555556,0.0,0.0,1.693287037037037,0.0,0.0,0.0,0.0,1.0555555555555558,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.982638888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.982638888888889,1.9722222222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.611875,0.0,0.4326388888888889,0.0,0.0,0.611875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.068287037037037,0.0,0.9930555555555556,0.0,0.0,1.9722222222222223,0.0,0.0,0.0,0.0,1.0555555555555558,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.982638888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.666666666666668,2.0952380952380953,0.611875,4.982638888888889,0.2847222222222222,0.9930555555555556,3.2478356481481483,0.611111111111111,1.4826388888888888,3.1018518518518516,0.611111111111111,1.4826388888888888,3.1018518518518516,3.33333,0.47619,0.0,0.02381,0.53778,0.80952,0.43333,0.48772,0.80952,0.10444,0.05006,-0.05439,0.0,0.58823,0.12606,0.0,0.15,0.15,0.0,9.0,1.28571,4.0,0.57143,5.0,0.71429,1.0,0.14286,0.0,0.0,3.09089,0.44156,6.53706,3.44617,0.49231,1.67491,0.23927,3.43185,1.75694,0.25099,-0.01785,-0.00255,0.06815,0.00974,0.3333333333333333,7.01,0,1,1,1,0,0,0.3333333333333333,1.272905595320056,2.682588730501833,3.3232314287976203,3.4565647621309536,3.4565647621309536,3.456564762130954,19.093583929800843,40.2388309575275,49.848471431964306,51.848471431964306,51.848471431964306,51.84847143196431,0.32581040194748384,0.6866301128363196,0.8506077525009399,0.8847354891422485,0.8847354891422485,0.8847354891422486,2.6339850002884626,1.2243018651066855,0.5836591668108984,0.45032583347756505,0.45032583347756505,0.4503258334775646,0.30826310284292646,0.6496500044907397,0.8047962358502371,0.8370859415415606,0.8370859415415606,0.8370859415415607,10.998740045776437,22.319574704992515,24.4308537819697,24.565230452903034,24.56523045290303,24.565230452903034,24.988839425298906,17.02048591507281,14.664170294749184,14.409918215334717,14.409918215334715,14.409918215334717,5.142857142857143,2.34375,1.1851851851851851,2,5,2,2.0100000000000002,0.8181000000000002,0.0,1.519671371303185,0.4999999999999999,0.0,3.3019272488946267,2.8284271247461903,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.15799999999999997,0.16,0.45300000000000007,0.403,3.0380000000000003,8.0,9.0,9.0,4.0,2.0,0.0,0.0,0.0,0.0,46.0,2.3513752571634776,2.7880929087757464,3.2337644373619514,3.6260062122954264,2.883403088580071,2.409194828052304,0.0,0.0,0.0,0.0,4.793204560188733,2.6019021739130435,0.5,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.14285714285714285,2.0,0.2857142857142857,0,2.0,4.0,1.0,1.0,0.44444444444444464,0.2222222222222222,0.125,0.0,0.0,0.0,0.0,0.0,0.0,0.14285714285714285,0.05555555555555558,0.05555555555555555,0.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.31646825396825395,12.646764559569082,19.13821664851041,25.293529119138164,3.6133613027340235,12.646774418859136,0.12433423528055057,0.017762033611507223,-1.4593473256359066,35.743733281414855,5.106247611630693,2.503462472662814,13.14,92.59321705416124,3.807354922057604,3.4339872044851463,4.174387269895637,4.9344739331306915,5.6937321388027,6.459904454377535,7.223295679562314,7.990576881743923,8.755107121633896,9.522446728338489,72.18791141197033,2.70805020110221,0.0,3.8501476017100584,2.3978952727983707,5.176149732573829,4.442651256490317,6.577861357721047,6.259581464064923,8.017966703493599,8.436416881388949,96.057514876,6.403834325066667,13.585236367059636,1.9407480524370908,2.9460285149109904,2.9460285149109904,0.0,43.0,4.0,1.198,30.0,1.346238817246405,2.3213185938318652,3.1287455011251235,4.012424840114365,4.995605523058555,6.105093384044465,0.0,0.0,0.0,0.0,127.44615186968805,148.61674077835121,108.80795303084918,115.54289924239427,36.6698966564989,6.203165604165755,0.0,0.0,0.0,0.0,358.9492290557651,452.3951174425627,426.68680220623963,558.8761376833738,393.57683345429507,189.76916247660134,0.0,0.0,0.0,0.0,10.492835531184285,17.832435559987324,23.684156377075723,29.88839363641648,34.69987125554733,41.016850117340915,0.0,0.0,0.0,0.0,2.420171662771725,3.2309020508445223,3.3675823966542895,4.647806320191325,4.126637776562106,2.71440330385442,0.0,0.0,0.0,0.0,192.559003640779,355.5742820336729,511.2529472162531,637.1571179404109,833.2036774322611,1128.939533966279,0.0,0.0,0.0,0.0,4.4195122425678965,6.43388129675497,7.091143095845317,9.096813226142194,7.8442191160250765,6.105093384044465,0.0,0.0,0.0,0.0,0.5470256108784954,0.7504003720661362,0.7838833942781386,1.035674213555809,0.9035192359533895,0.6251615625261532,0.0,0.0,0.0,0.0,260.096186431975,119.54271540649009,11.957148670269891,76.56697796559911,-35.19092141272311,-10.547797946084664,183.5292084663759,154.7336368192132,22.504946616354555,0.7725709668813687,0.3550810663245565,0.035516652650924976,0.22742903311863133,-0.1045285767324555,-0.03133041883260059,87.56480517193009,40.24562884942759,4.025531508505307,25.77728109025793,-11.84748696087371,-3.551055033955096,0.19489758742411692,0.7002683983356239,5.980097431244144,18.865935095056592,309.7221584348653,26.941005962708807,0.9199763775436582,0.08002362245634181,455.96120619855014,21.353248141642297,7.6967839844501516,534.0944317336679,23.11048315664707,8.113458455703956,719.9923669729264,26.83267349655875,8.962777820147071,2.1293218992301894,1.8826332594074062,352.39093476387734,287.9030512017982,94.17062295747908,1.2239916641830866,3.742047399675721,3.0572490885166514,3.7257922200553564,3.712755444307598,6.885851763737113,0.8546472739793598,2.476212226649369,2.7598314818771015,3.169291230582064,6.030812442742424,4.272083825947655,6.346346293155246,2.5481220281051584,4.458346811749329,1.5250758847020636,2.698259978792137,0.8741798468149766,1.7306019697544754,0.27172031876210057,4.162604542961331E-17,1.2299404885342798E-54,7.009369389249939E-114,7.704592999667589E-195,1.6334143276814635E-297,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20784139798132226,2.9393531742006913,1.1784560400322686,5.1315599416337285,2.3419610935590827,0.8437947468926689,1.0982977705273835,0.2088541706239266,0.9424912673903633,0.19672616066291335,0.0693053658818769,0.012188771262222271,0.0019137484223308368,2.9317564152624357E-19,8.662571427181778E-57,4.936756173157462E-116,5.426407846490292E-197,1.1504270666448927E-299,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6708642335963543,2.605444078303745,1.4732307860173575,4.521532455943178,1.6124645217348743,1.5029132214826226,1.2617744827210717,0.7762567347843172,1.0547577830446033,0.6546394497616785,0.22640042484360265,0.12701639346854895,0.01994273406847666,3.0551162243112078E-18,9.02706731489107E-56,5.144480558331712E-115,5.654735354286973E-196,1.1988337018370425E-298,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3373441958568755,2.938706055321991,3.0854512907094658,6.397189011946634,4.6662783648289325,6.3447827332939415,2.8728544495348456,4.092062509377457,1.487057418056186,2.52647326213,0.8223599540400559,1.5419351981444582,0.24209791208873468,3.7088057061509E-17,1.095854831998231E-54,6.245221932342257E-114,6.864653652736592E-195,1.4553427587199759E-297,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9887148981826414,2.478558328313897,1.7127138438986154,4.369488521582649,1.4716161658646114,1.9665329074412314,1.2966094874649943,1.2548398299668986,1.133800172279952,0.9846312068214373,0.3363781908339372,0.27589657917419064,0.04331828327703172,6.636120684082188E-18,1.960799646450659E-55,1.1174499212284687E-114,1.2282840812727159E-195,2.6040269964947894E-298,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.9903780668095346,2.8731548494284462,3.7108345042340796,6.706541400215363,5.555126136812319,8.516462505123869,3.2219948994391125,5.93503927180801,1.6685128703047245,3.3554784216417604,1.0689364382476236,2.523920327911016,0.3962785482115864,6.07076751778693E-17,1.7937526107856016E-54,1.0222506502661028E-113,1.1236424800246768E-194,2.3821812860757553E-297,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.349285864419871,2.7588849412562055,2.3515289469851846,6.124234479312443,4.561159197691208,3.8584706603383845,2.3151918900410116,1.8741273024748586,1.2998142989397026,1.4463989629091634,0.4895206912277717,0.49963469687076223,0.07844721165419519,1.201767762904407E-17,3.550908605792885E-55,2.023645072057901E-114,2.2243601086142105E-195,4.715760678715027E-298,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.319185078161434,1.1879139044704472,0.4301207288430163,0.7274760389637798,0.2000791552609312,0.5708918467142248,0.5272689961200462,0.2769570365926212,5.9372197114748975,7.499537438549501,15.643629192429543,0.5912140584456697,1.3751178794268921,2.989010282968459,0.8776150033888157,0.1549427914403171,0.7432449793577504,0.21822706626153668,0.2707617193104844,0.28640657078245146,0.03606860975801185,4.021568077797592,3.22230598493848,7.650320035017456,0.6148674690366256,0.5932368998509476,3.6126701518797617,0.8956338378126001,0.2567950159143744,0.7581521701079039,0.18795702602585482,0.3978616653195497,0.3017816557480936,0.09903301792545777,4.765099005606736,4.393339627658987,9.989332196333933,0.6372282551618558,0.7986763389931011,4.189452959132725,1.2015305553378555,0.4151825137084972,0.7215523873757733,0.20694044047422425,0.5362998050592614,0.5413232432708556,0.25808405518610644,5.806166028179078,7.27199782744753,15.16809121738214,0.58232858106366,1.3357071035162233,3.904680737354871,0.9336049065595664,0.30823813768156577,0.7587025540070427,0.18140495335864232,0.4659724650901927,0.3264757009905052,0.1425753425709005,5.146523781596003,5.136773251394774,11.406957308266245,0.638053831010564,0.9350235086515983,4.394192863958173,1.240273515628704,0.4537395101232071,0.7217549707681487,0.20371740675277406,0.5910003616495607,0.5745295583620298,0.3080525479576846,6.088205889710085,8.006581046611396,16.567667734630515,0.5826324561522231,1.473582467969275,4.257126491499621,1.185940101316852,0.41861910680533265,0.7262631791694819,0.2023206569047823,0.5541794626954569,0.5263560902488377,0.26233688908161884,5.861685699621805,7.3272686980144925,15.302435435787826,0.5893947687542228,1.3428724420259135 +UMLCN0016,L,tetrahydrofuran,C1CCOC1,Cyclic Ethers,,C4H8O,Marquardt (2015),IQT,PubChem,,21.9,0,-0.7069000000000004,0.4997076100000006,16.8667,13.176344000000002,0,0,13,5,8,0,4,0,1,0,0,0.0,0.0,0.0,0.0,0.0,841.1529970000001,913.9770449999997,1030.977620999999,221.98579200000003,12.192768000000001,0.0,0.0,0.0,0.0,2159.1283394091183,2793.9026403637813,3705.2386060714443,2077.8988521192537,373.00493317116315,0.0,0.0,0.0,0.0,97.26149199999998,99.63037200000001,192.8594280000001,203.91782400000017,80.62156799999998,0.0,0.0,0.0,0.0,15.355707238792004,19.95373448,28.325435283395997,20.836958522187988,5.335354858188001,0.0,0.0,0.0,0.0,2171.969926356492,1912.0501068032006,4004.9480125363966,4797.219503630388,2219.011824290988,0.0,0.0,0.0,0.0,29.25,29.25,53.25,44.0,12.0,0.0,0.0,0.0,0.0,64.70407669230771,70.30592653846152,41.23910483999996,7.928064000000001,1.016064,0.0,0.0,0.0,0.0,166.08679533916296,214.91558772029086,148.20954424285776,74.21067328997334,31.083744430930263,0.0,0.0,0.0,0.0,7.481653230769229,7.66387476923077,7.7143771200000035,7.282779428571435,6.718463999999998,0.0,0.0,0.0,0.0,1.1812082491378464,1.5349026523076925,1.1330174113358398,0.7441770900781425,0.4446129048490001,0.0,0.0,0.0,0.0,167.07460971973018,147.08077744640005,160.19792050145585,171.32926798679958,184.917652024249,0.0,0.0,0.0,0.0,2.25,2.25,2.13,1.5714285714285714,1.0,0.0,0.0,0.0,0.0,0.166861775466815,-0.03029008722699839,-0.06110699832743366,-0.017764015870614658,0.025730213691639192,0.0,0.0,0.0,0.0,441.1976547692306,25.779659076923263,-198.93867794082823,-294.63654288757436,247.19673436686375,0.0,0.0,0.0,0.0,616.1115391890872,-56.843383537668956,-230.9159334818544,-359.8460292323956,339.54957665737595,0.0,0.0,0.0,0.0,1.006116923076923,0.02263015384615456,-0.40526977514792695,-0.3203490650887576,0.19993022485206902,0.0,0.0,0.0,0.0,2.720424659843078,-0.5938225698461548,-0.8250597634720718,-1.1630716080512424,1.2217416114479296,0.0,0.0,0.0,0.0,15.167709365843058,-3.8200798714230415,-4.293260755125891,-5.655430200128177,6.184916143755587,0.0,0.0,0.0,0.0,5.69230769230769,0.3076923076923072,-2.4082840236686396,-2.18343195266272,1.4378698224852078,0.0,0.0,0.0,0.0,0.012835521189754999,-0.0023300067097691067,-0.0024442799330973465,-6.344291382362378E-4,0.002144184474303266,0.0,0.0,0.0,0.0,33.93828113609466,1.9830506982248663,-7.957547117633129,-10.522733674556227,20.59972786390531,0.0,0.0,0.0,0.0,47.39319532223748,-4.372567964436073,-9.236637339274177,-12.851643901156987,28.29579805478133,0.0,0.0,0.0,0.0,0.0773936094674556,0.0017407810650888122,-0.016210791005917078,-0.0114410380388842,0.01666085207100575,0.0,0.0,0.0,0.0,0.20926343537254447,-0.045678659218934985,-0.03300239053888287,-0.0415382717161158,0.10181180095399413,0.0,0.0,0.0,0.0,1.1667468742956197,-0.2938522978017724,-0.17173043020503564,-0.20197965000457777,0.5154096786462989,0.0,0.0,0.0,0.0,0.4378698224852069,0.0236686390532544,-0.09633136094674559,-0.07797971259509714,0.11982248520710065,0.0,0.0,0.0,0.0,-0.1815280170803552,-0.19043090630774787,-0.049427610212090474,0.16705083047307046,0.0,0.0,0.0,0.0,0.0584310881942638,-0.23447112968753075,-0.3100549975515671,0.6069761689255592,0.0,0.0,0.0,0.0,-0.09226151422595491,-0.19489374532508533,-0.27117065675305574,0.5970434755958434,0.0,0.0,0.0,0.0,0.022492568534625838,-0.20945903825216727,-0.1478292344498445,0.21527426082914147,0.0,0.0,0.0,0.0,-0.21828304183965463,-0.15770739154754795,-0.19849751411261432,0.4865245606464507,0.0,0.0,0.0,0.0,-0.25185608316214675,-0.14718739255994281,-0.1731135128401484,0.4417493545525532,0.0,0.0,0.0,0.0,0.05405405405405399,-0.22000000000000017,-0.178088803088803,0.2736486486486489,0.0,0.0,0.0,0.0,1.0792028648162924,1.5337713924742415,0.9075227941047893,0.017953309216507958,0.0,0.0,0.0,0.0,1.046455482309566,1.296573013515245,1.1422054782890911,0.0,0.0,0.0,0.0,0.0,1.4007828161207605,1.2092155995225964,1.05569405008447,0.0,0.0,0.0,0.0,0.0,0.843451135821498,1.5373710594884218,1.0214592409682137,0.0,0.0,0.0,0.0,0.0,1.62162051443101,1.2048468771376408,0.9570629065698514,0.0,0.0,0.0,0.0,0.0,1.6691310460279676,1.2139862378475028,0.9268443019803174,0.0,0.0,0.0,0.0,0.0,0.8108108108108111,1.5178378378378385,1.0540540540540544,0.0,0.0,0.0,0.0,0.0,10.665383875512823,5.457691937756412,7.897885203232969,10.815383875512824,2.1630767751025646,5.469380842015817,0.2499999999999991,0.06832503903426146,0.013665007806852291,-1.3417394879327014,11.99443274116063,2.398886548232126,1.2422213019493724,10.66925686675916,5.459261222928927,7.899720491643327,10.818816214218376,2.1637632428436753,5.470927705517157,0.24926557909869285,0.0681015041609736,0.013620300832194721,-1.3433779892689721,11.997767912605294,2.399553582521059,1.242360312601804,14.18871007253961,6.8948577972407925,10.138542228997746,13.949313385704794,2.789862677140959,6.89728055379179,-0.39899447805802435,1.1102230246251565E-16,2.2204460492503132E-17,-18.36840028483855,2000008.1123678877,400001.62247357756,7.254330897349968,10.673321913035426,5.460908356627182,7.901648432276639,10.82241879316679,2.164483758633358,5.472551358392289,0.24849480021893644,0.06786701944685436,0.013573403889370872,-1.3451025424255143,12.001281366307502,2.4002562732615003,1.2425067123064955,18.35299542013794,8.491770773774338,13.044827087334578,18.13653656727011,3.627307313454022,8.492317956894631,-1.0822942643391542,0.13166680757840868,0.026333361515681736,-1.0137403662669677,26.88790134423072,5.377580268846144,1.6458382106392833,11.072323904776653,5.622729045327476,8.099057464773363,11.17620441630363,2.235240883260726,5.63230880538893,0.17313418587829954,0.04556495510946823,0.009112991021893646,-1.5443081931161005,12.413585143948852,2.4827170287897706,1.2593957245151757,9.348668007950483,4.786433651873745,7.243934166733402,9.344295875176062,1.8688591750352126,4.814501047143767,0.5714285714285685,0.1731985732008014,0.03463971464016028,-0.8766582603791977,11.439103805512248,2.2878207611024495,1.218518822102009,0,11.996935550902494,15.99741702430055,-0.40284455675989134,0.06949012963656685,4.992684929681547,5.798514341687788,5.0,13.0,13.0,13.0,5.0,0.0,0.0,0.0,0.0,0.0,10.661655999999999,3.534649867366408,2.459820994687677,2.301199922445256,1.1900601602723226,0.713992824180588,0.0839230705186915,0.08392307051869131,0.08392307051869094,1.724171078503525,1.465521747078702,0.7578639354190904,0.5844457524351552,0.08392307051869091,0.08392307051869094,0.08392307051869131,0.0839230705186915,3.4910229940971376,2.510897621120329,2.1974734168533954,1.3088559198117935,0.4978440423328169,0.27091390189293746,0.27091390189293735,0.2709139018929373,1.65597600666875,1.4805357460987028,0.6219497304774954,0.44917779898192084,0.2709139018929371,0.2709139018929373,0.27091390189293735,0.27091390189293746,3.6656594695913625,2.7348014887900645,2.5346427756392287,1.7784680891728566,1.1352011863234228,0.9439184268026222,0.9439184268026221,0.9439184268026217,1.4525836511201313,1.1824504584650362,0.17284907323754692,0.06544666274496133,0.9439184268026213,0.9439184268026217,0.9439184268026221,0.9439184268026222,3.49255313222325,2.5485718485520437,2.194211738934212,1.3935289897419567,0.43997972512195527,0.39927724550898225,0.39927724550898197,0.3992772455089818,1.6122857329828693,1.4878632503674272,0.5312606142931672,0.3600873339359436,0.3992772455089817,0.3992772455089818,0.39927724550898197,0.39927724550898225,3.706001994606096,2.841861734879931,2.6131062942241012,1.978039144454596,1.2085154084831402,1.2076448229620889,1.2076448229620886,1.207644822962088,1.3884283102424007,1.1401264427161357,0.0161829231679482,0.2371784645221815,1.2076448229620877,1.207644822962088,1.2076448229620886,1.2076448229620889,3.8209763012013784,2.7325536223860065,2.634421018185765,1.5775754749389008,1.384478255006499,0.6666666666666665,0.6666666666666665,0.6666666666666664,1.5289427970221272,1.156098215469412,0.3497203627692016,0.11524329645780561,0.6666666666666661,0.6666666666666664,0.6666666666666665,0.6666666666666665,0,0,0,0,0,2,2,0,0,0.0,0.0,0.17677669529663687,0.0,0.0,0.0,0.0,0.10206207261596577,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.5355339059327373,2.5,1.7677669529663687,1.25,0.8838834764831843,0.0,0.0,0.0,0.7071067811865475,0.5,0.35355339059327373,0.25,0.17677669529663687,0.0,0.0,0.0,3.236675415210053,2.0773502691896257,1.3194792168823422,0.8273502691896257,0.5103103630798288,0.0,0.0,0.0,0.6473350830420106,0.4154700538379251,0.26389584337646843,0.16547005383792515,0.10206207261596575,0.0,0.0,0.0,6.882110319560352,12.88201019664967,12.250980392156867,12.440000000000005,7.674457485029937,100.26754131736529,0.5293931015046425,0.9909238612807438,0.9423831070889898,0.9569230769230773,0.5903428834638413,7.712887793643484,0.7968,20.053,13.999999999999993,18.618033988749886,27.999999999999986,5.599999999999996,14.000001001560843,1.1102230246251565E-16,2.2204460492503132E-17,-18.36840028483855,19.225433765858742,3.8450867531717483,1.4781170388653044,20,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.944444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5222222222222221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.555555555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.944444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.944444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.944444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.944444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2777777777777777,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.944444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.5,1.9,0.45,4.944444444444445,0.2777777777777778,1.0,2.195777777777778,0.5,1.4444444444444444,2.888888888888889,0.5,1.4444444444444444,2.888888888888889,2.33333,0.46667,0.0,0.03333,0.51282,0.85333,0.43333,0.51282,0.85333,0.07949,0.0,-0.07949,0.0,0.54687,0.16742,0.0,0.0,0.0,0.0,3.0,0.6,3.0,0.6,0.0,0.0,-3.0,-0.6,0.0,0.0,2.97125,0.59425,3.75,0.77875,0.15575,1.99071,0.39814,2.5,0.50929,0.10186,-0.086,-0.0172,-0.0,-0.0,0.38461538461538464,5.01,1,1,1,1,0,0,1.0,1.2389012566026307,1.5465935642949382,2.161978179679554,2.161978179679554,2.161978179679554,2.161978179679554,16.1057163358342,20.105716335834195,28.1057163358342,28.1057163358342,28.1057163358342,28.1057163358342,0.33479838910198223,0.4179485904642344,0.5842489931887389,0.5842489931887389,0.5842489931887389,0.5842489931887389,2.4615384615384617,2.153846153846154,1.5384615384615383,1.5384615384615383,1.5384615384615383,1.5384615384615383,0.33479838910198223,0.4179485904642344,0.5842489931887389,0.5842489931887389,0.5842489931887389,0.5842489931887389,11.26589917459177,14.958206866899463,15.578406886591772,15.578406886591768,15.578406886591772,15.578406886591772,18.282605588284888,15.696366628994697,16.433745784339703,16.433745784339703,16.433745784339703,16.433745784339703,3.2,1.44,0.64,0,0,0,1.7899999999999998,0.6223000000000005,0.0,0.0,0.0,0.0,4.242640687119286,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.402,0.394,0.462,0.261,2.485,5.0,5.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,25.0,1.791759469228055,1.791759469228055,1.791759469228055,1.791759469228055,0.0,0.0,0.0,0.0,0.0,0.0,3.258096538021482,1.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.000000000000002,8.618033988749897,12.000000000000004,2.4000000000000004,6.006204681249255,0.0,0.0,0.0,13.967595206243132,2.7935190412486266,1.3183700092986783,9.23,74.1741652040279,3.321928094887362,3.044522437723423,3.713572066704308,4.394449154672439,5.081404364984463,5.771441123130016,6.46302945692067,7.155396301896734,7.848153086199526,8.54110501146255,62.01307300369413,2.3978952727983707,0.0,3.4339872044851463,2.3978952727983707,4.61512051684126,4.2626798770413155,5.860786223465865,5.8888779583328805,7.147559271189454,7.698936199813447,72.057514876,5.542885759692307,9.6875,1.9375,2.875,2.875,0.0,15.0,0.0,0.5259999999999999,20.0,1.3238140198996982,2.2156523675551614,2.8985418217532666,3.9117801431280452,0.0,0.0,0.0,0.0,0.0,0.0,115.8765268918028,104.38706085580723,25.862481325637326,3.974618979347254,0.0,0.0,0.0,0.0,0.0,0.0,310.29525190395265,351.3645103520906,232.87129784185998,121.59277423897993,0.0,0.0,0.0,0.0,0.0,0.0,10.495009682820163,17.446694098164798,21.352412140167548,26.28115406752062,0.0,0.0,0.0,0.0,0.0,0.0,2.077999952789839,2.5869907574249384,2.279127771621079,1.739227932566797,0.0,0.0,0.0,0.0,0.0,0.0,194.42888212209402,354.63000569287993,491.0884207182132,723.3571993023188,0.0,0.0,0.0,0.0,0.0,0.0,3.430344671502895,5.0888340731112836,4.7994431343716855,3.9117801431280452,0.0,0.0,0.0,0.0,0.0,0.0,0.49720766943931377,0.6272445414704879,0.5405447133449497,0.40056628665631183,0.0,0.0,0.0,0.0,0.0,0.0,199.1911768543809,86.73150726516525,8.87480394438164,46.87302054048837,-20.409376488194567,-16.57440371607289,152.31815631389253,107.14088375335982,25.44920766045453,0.8095089775890096,0.3524751190275099,0.03606702656599765,0.19049102241099022,-0.08294329977409434,-0.06735804676807682,49.013817060812706,21.34151872405016,2.183771509611088,11.533772178768492,-5.022016844897313,-4.078367347694015,0.12934116227303982,0.874144514739658,3.2847625673528906,37.839857851461836,202.77632312074942,43.287874274119865,0.8240789406487525,0.17592105935124744,317.33018288983345,17.813763860841803,6.820828458981983,394.8264715441347,19.870240852695638,7.336159317559066,439.01819475237096,20.952761029333843,7.6002434983870675,1.4525298583893997,1.4268377157609011,156.81758781756153,94.22550878634792,78.70754180510555,1.6642795548404872,1.9924086589550836,1.1971598480316883,3.0283787719581623,3.1358790735396878,4.651062929336431,0.48317674893198254,2.231237239489587,0.8123227970632166,12.618357768652507,2.8993873938636012,5.638520027182208,1.8916158293402972,1.6740031627521839,1.062431323582275,7.074863280673263E-6,5.486077077413759E-32,9.64685281298926E-80,3.4353807180433594E-149,2.390091691800723E-240,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.18728233851568266,0.8121535201403207,2.037431497248274,2.153566958860885,1.3102548840168535,0.14371953410888863,0.06395963387303923,0.007482790681990312,4.982884056399581E-8,3.863888942688206E-34,6.794357313955506E-82,2.419566729206362E-151,1.6833611211881367E-242,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6044971093766633,0.8121651663124619,3.2879701618390715,1.756808447033081,1.9378489122390463,0.4109539750644862,0.2568958208774975,0.07797644816827867,5.192549369148491E-7,4.0264701856844846E-33,7.080244168844046E-81,2.5213750814084124E-150,1.7541920761026863E-241,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1061077850713743,0.8123043303642643,12.132028189994449,3.039692624316421,5.552191746536314,1.898951279361367,1.5274285800199556,0.9466071817843591,6.303575810478383E-6,4.8879959071540406E-32,8.595172178849178E-80,3.060862370753999E-149,2.1295286672771803E-240,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8909019699793287,0.8121799625644626,4.441292524411632,1.666644282439566,2.376407510309022,0.5839688716663508,0.42963495245851074,0.16937526515130857,1.1278911092651817E-6,8.746031286939093E-33,1.5379236443880748E-80,5.476763599668333E-150,3.810339596066479E-241,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6945352878265614,0.8124003720657041,15.945251442872587,3.5161368189535787,7.126875067984945,2.478667972797886,2.271214005395068,1.5494562364778943,1.0318023188083015E-5,8.000927827255363E-32,1.4069028201344253E-79,5.01017991478296E-149,3.485724107914862E-240,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4875024303285227,0.8122285642604181,9.382653001690473,3.3475230039668444,4.493779252288238,1.559173214621651,0.8947980484164026,0.4721916993699005,3.1443836802992275E-6,2.4382564788505595E-32,4.287490139106338E-80,1.5268358746859372E-149,1.0622629741336546E-240,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.06126732574174,0.8567302367173941,0.5238379687343885,0.5988860615390754,0.24891666930415657,0.559535764251417,0.42746060228720084,0.5466838668901732,3.4418355311935227,3.294507959811041,7.661415174898309,0.3983290923086131,1.5336802334287911,1.2167427789258325,1.163562009251968,0.1123713289973101,0.4881271058611247,0.466792296534138,0.3771335137150693,0.41450508778595524,0.020576687847964688,2.492676117175111,1.683233685055965,4.335000148695468,0.4323791035928941,0.8122152893489893,1.6230518029866845,0.8260787652163053,0.2794275593093484,0.5948386389944501,0.3027528557617543,0.3471529559781268,0.3784819539427369,0.1401385963693939,2.728558127512338,2.0251232063962172,5.128329039590533,0.3922579584916751,0.8657735062902576,1.9869543889265995,0.9401023537847912,0.5040874682026872,0.5790938144209516,0.27399091847974005,0.5200231733596856,0.49736588062506565,0.4746223013774859,3.431144210914078,3.3434331206119072,7.716182727862093,0.3686407216314274,1.4920113553622372,1.8137642927443582,0.7176969973674038,0.35811093387407916,0.6276930120273905,0.24837482566101815,0.43326424575476125,0.2977898831419117,0.2525504824170387,2.8895722239858412,2.208277153502843,5.564014264680989,0.44153951804108577,0.9836046113137117,2.1013066367738675,0.8876122426768991,0.5527941802896336,0.5933023374084091,0.25061664446129894,0.5814838803223118,0.45798132753415277,0.6071290017230732,3.5417130597404,3.5174024583369015,8.090157093890982,0.3899535061126136,1.6465942095795376,2.0185054425666724,0.899477470403488,0.5116913153443994,0.5885414497687216,0.26226323858330913,0.5366134125005253,0.46111981336559776,0.502649725095023,3.4296742283145596,3.3087066843657267,7.667407751538741,0.3828121746530823,1.5003829509611462 +UMLCN0017,L,7-butyltridecane,CCCCCCC(CCCC)CCCCCC,Alkanes,,C17H36 ,NREL (2014),Unknown,PubChem,,36,0,-2.265399999999997,5.132037159999986,62.970299999999995,53.92454799999996,0,0,53,17,36,0,17,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2489.0683609999965,2744.0811040000017,3105.432976000004,3148.1076640000015,3148.1076640000015,3148.107664000001,3027.041655000002,2839.429502,2400.540754999998,8318.802129252092,10906.788617327951,14803.256253182964,16108.773519282062,16108.773519282062,16108.77351928206,15883.64610584284,15156.601460766084,13699.548288932507,370.05347599999993,376.8830080000003,723.9829120000012,1006.1584000000029,1006.1584000000029,1006.1584000000029,1006.1346840000028,1003.7159600000033,940.7836280000031,63.41736457456406,84.70999515999995,125.67071974667772,144.34446175033602,144.34446175033602,144.34446175033605,143.338037465487,138.31802474973185,127.28364732063757,8812.539526402965,7541.121415104403,15896.741095599065,23663.282480617454,23663.282480617454,23663.282480617454,23657.815567929003,23843.119281108648,22353.230300693172,79.02777777777777,95.83333333333334,157.5,199.5,199.41666666666666,199.83333333333331,201.41666666666666,199.0,190.25,46.96355398113201,52.770790461538496,30.445421333333375,21.861858777777787,21.861858777777787,21.861858777777783,21.021122604166678,19.718260430555556,17.781783370370356,156.9585307406055,209.74593494861443,145.12996326649966,111.8664827727921,111.8664827727921,111.86648277279208,110.30309795724195,105.25417681087558,101.47813547357413,6.982141056603773,7.24775015384616,7.097871686274521,6.987211111111131,6.987211111111131,6.987211111111131,6.987046416666686,6.9702497222222455,6.968767614814838,1.1965540485766804,1.6290383684615375,1.2320658798693893,1.0023920954884447,1.0023920954884447,1.0023920954884449,0.9954030379547708,0.9605418385398045,0.9428418320047227,166.2743306868484,145.02156567508467,155.85040289803004,164.32835055984344,164.32835055984344,164.32835055984344,164.29038588839586,165.57721722992116,165.57948370883832,1.491090146750524,1.842948717948718,1.5441176470588236,1.3854166666666667,1.3848379629629628,1.3877314814814814,1.3987268518518519,1.3819444444444444,1.4092592592592592,0.07441911810202462,-0.006039864455400809,-0.030876630675432344,-3.4420677422855855E-4,1.993852577265485E-4,0.0016865160747938672,-0.004369029450524619,0.0036360646345822267,-0.009639855688984768,1397.9697643018872,-55.85672754147629,-520.3812718640096,2.758356915629502,2.758356915629502,2.758356915629502,-118.30765208437015,-6.378700367388792,-248.68311567461492,2599.584472166116,-103.86797003105829,-967.6711961072224,5.12928247066651,5.1292824706667375,5.129282470667192,-219.9981309685558,-11.861465713424536,-462.43687274628775,0.2738526792452823,-0.010941949448205276,-0.10193911854752855,5.40343182626875E-4,5.40343182626875E-4,5.40343182626875E-4,-0.023175656817373144,-0.001249543609825426,-0.04871531505873966,11.621352119388463,-0.46433815349384977,-4.325940482473033,0.0229302791848848,0.0229302791848848,0.022930279184883023,-0.9834940056641153,-0.053026270615046875,-2.0673079827621,63.12736915718472,-2.5222922193781065,-23.498577358610184,0.12455764046291673,0.12455764046291673,0.12455764046290962,-5.342355047986049,-0.28803954357075945,-11.229649772997622,4.536687631027252,-1.0076935247814587,-1.4511095288952203,-0.005339978640087895,-0.08867331197342154,0.32799335469324437,-0.45974249436335646,0.6801946125548801,-0.5651477394090416,0.0014041343038117852,-1.1615123952693863E-4,-3.0271206544541516E-4,-2.3903248210316565E-6,1.3846198453232533E-6,1.1711917186068522E-5,-3.0340482295309857E-5,2.5250448851265462E-5,-7.140633843692421E-5,26.376788005695985,-1.0741678373360826,-5.101777175137349,0.01915525635853821,0.01915525635853821,0.01915525635853821,-0.8215809172525704,-0.04429653032908883,-1.8420971531452957,49.04876362577578,-1.9974609621357364,-9.486972510855121,0.03562001715740632,0.035620017157407896,0.03562001715741106,-1.5277647983927487,-0.08237128967655928,-3.4254583166391686,0.0051670316838732504,-2.104221047731784E-4,-9.994031230149858E-4,3.752383212686632E-6,3.752383212686632E-6,3.752383212686632E-6,-1.6094206123175794E-4,-8.677386179343236E-6,-3.608541856202938E-4,0.2192707947054427,-0.008929579874881726,-0.04241118120071601,1.5923804989503333E-4,1.5923804989503333E-4,1.59238049895021E-4,-0.006829819483778578,-3.6823799038226995E-4,-0.015313392464904445,1.1910824369280135,-0.04850561960342513,-0.23037820939813905,8.649836143258106E-4,8.649836143258106E-4,8.649836143257613E-4,-0.03709968783323645,-0.002000274608130274,-0.08318259091109349,0.08559787983070287,-0.019378721630412668,-0.01422656400877667,-3.708318500061038E-5,-6.157868887043163E-4,0.002277731629814197,-0.003192656210856642,0.004723573698297779,-0.004186279551178086,-0.08272089016814443,-0.21558626167286607,-0.0017023477131373208,9.861021424834105E-4,0.008341023472095463,-0.02160796315063662,0.017982929968108033,-0.05085435078615938,-0.040723981900454266,-0.1934191977444576,7.262164124912287E-4,7.262164124912287E-4,7.262164124912287E-4,-0.031147875816993055,-0.0016793754538847996,-0.06983781166787634,-0.04072398190045394,-0.19341919774445837,7.262164124905185E-4,7.262164124905506E-4,7.262164124906151E-4,-0.031147875816993846,-0.0016793754538854894,-0.06983781166787749,-0.04072398190046402,-0.193419197744463,7.262164124903941E-4,7.262164124903941E-4,7.262164124903941E-4,-0.031147875816994103,-0.0016793754538850813,-0.06983781166787707,-0.04072398190044996,-0.1934191977444559,7.262164124909826E-4,7.262164124909826E-4,7.262164124909263E-4,-0.031147875816993378,-0.0016793754538854217,-0.06983781166787707,-0.04072398190047084,-0.19341919774446528,7.262164124900856E-4,7.262164124900856E-4,7.262164124900442E-4,-0.031147875816994082,-0.001679375453884865,-0.06983781166787607,-0.22639254230058356,-0.1662022942263785,-4.332255083181291E-4,-0.007193950246457406,0.02660967344423879,-0.03729830945779427,0.055183302526185855,-0.04890634627233514,1.602653797807959,1.3830427602227238,0.9633101800426322,0.961082613501364,0.958239250470188,1.0068599725350502,0.9453521614736403,1.0516391282302175,1.5588235294117656,1.412789952582341,1.0007262164124915,1.0007262164124915,1.0007262164124915,1.031998910675382,0.9694535221496012,1.0340837569595747,1.558823529411765,1.4127899525823402,1.000726216412491,1.000726216412491,1.000726216412491,1.0319989106753813,0.9694535221496007,1.034083756959574,1.5588235294117665,1.4127899525823435,1.0007262164124935,1.0007262164124935,1.0007262164124935,1.031998910675384,0.9694535221496029,1.0340837569595764,1.558823529411763,1.4127899525823366,1.0007262164124886,1.0007262164124886,1.0007262164124886,1.031998910675379,0.9694535221495983,1.0340837569595716,1.5588235294117616,1.4127899525823369,1.0007262164124886,1.0007262164124886,1.0007262164124886,1.0319989106753786,0.9694535221495982,1.0340837569595716,1.8123844731977823,1.1518294008915952,0.81587915896488,0.8225123228589034,0.7893465033887862,0.928642945163278,0.8225123228589034,1.1037584719654963,165.85221769449333,82.92610884724671,117.33982338204865,165.8522176944934,9.756012805558438,82.92610884724671,8.526512829121202E-14,1.0547118733938987E-15,6.204187490552346E-17,-58.62536491082004,6000042.482774623,352943.67545733077,26.532371082970492,165.85221769449333,82.92610884724671,117.33982338204865,165.8522176944934,9.756012805558438,82.92610884724671,8.526512829121202E-14,1.0547118733938987E-15,6.204187490552346E-17,-58.62536491082004,6000042.482774623,352943.67545733077,26.532371082970492,165.85221769449333,82.92610884724671,117.33982338204865,165.8522176944934,9.756012805558438,82.92610884724671,8.526512829121202E-14,1.0547118733938987E-15,6.204187490552346E-17,-58.62536491082004,6000042.482774623,352943.67545733077,26.532371082970492,165.85221769449333,82.92610884724671,117.33982338204865,165.8522176944934,9.756012805558438,82.92610884724671,8.526512829121202E-14,1.0547118733938987E-15,6.204187490552346E-17,-58.62536491082004,6000042.482774623,352943.67545733077,26.532371082970492,165.85221769449333,82.92610884724671,117.33982338204865,165.8522176944934,9.756012805558438,82.92610884724671,8.526512829121202E-14,1.0547118733938987E-15,6.204187490552346E-17,-58.62536491082004,6000042.482774623,352943.67545733077,26.532371082970492,165.85221769449333,82.92610884724671,117.33982338204865,165.8522176944934,9.756012805558438,82.92610884724671,8.526512829121202E-14,1.0547118733938987E-15,6.204187490552346E-17,-58.62536491082004,6000042.482774623,352943.67545733077,26.532371082970492,185.87898468995604,92.82388776981459,132.19632805262736,185.67497661613822,10.922057448008129,92.82388776981459,-0.23120915032686185,7.216449660063518E-16,4.244970388272657E-17,-59.270497267718376,6000041.277334878,352943.60454911046,26.532370741431613,0,11.890000000000006,12.11031148931673,-0.17050521122139078,0.050037368226056325,5.153843110494114,9.921225831973043,16.0,52.0,52.0,52.0,16.0,0.0,0.0,0.0,0.0,0.0,39.35545199999999,3.6140694013534573,3.4215067278352795,3.3654774687320814,3.186062614106792,3.0026574708926392,2.8089533847470505,2.510113163481492,2.4213868860035337,1.9826518149318901,1.8684747113146136,1.8300892480673692,1.7056929295363061,1.5834447961863893,1.450757313904032,1.2690377512793896,1.2071495361084914,3.638789969473165,3.4522132543406814,3.397352878733847,3.221940999229397,3.0431848989034416,2.854096843472984,2.5653920773730245,2.4787079243263923,1.9283090746257527,1.8042453711118946,1.7633711562208827,1.631891624651342,1.5021274139861425,1.362012473756241,1.1677207479448828,1.1026144370402486,3.7476055004930315,3.586328950229985,3.536752997786829,3.3787788494196698,3.219946988469682,3.050805420273341,2.8032507318462656,2.72543124579425,1.7693654351157113,1.612908756399674,1.564399408457722,1.4098188465592636,1.2547948059219747,1.0894735033606573,0.8493465338488133,0.7732169511762217,3.6570053648801193,3.474789313473889,3.420800713319551,3.2483389429797658,3.0729926577731965,2.8873038914383407,2.6059090170184147,2.5207346034616154,1.8937927289567573,1.7631312886426442,1.7206372530003646,1.5844298719726178,1.4495904567601616,1.304438744460039,1.1013964765989643,1.034103142102041,3.8007191134168767,3.651051185158203,3.6040752432563936,3.4543012404135136,3.3046286072903683,3.144671222191696,2.914746668070193,2.8409812192867925,1.720008428853594,1.5524969158163613,1.5015689340439333,1.3392331796715098,1.1754724100799543,1.0013849666846204,0.7440064072501131,0.6639926693818152,3.6430503675104404,3.511050214806476,3.4718338602314174,3.3268110461693645,3.1583145288700223,2.9874415272557027,2.720268515740869,2.623951035738656,1.8864059604755246,1.7110506041395344,1.6567207599130533,1.4930044416966375,1.3441200395911053,1.179992621889602,0.9567653659290317,0.8966340051409499,0,0,0,0,0,3,13,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.4330127018922194,0.6123724356957946,0.6794123418055916,0.4330127018922194,0.6123724356957946,0.6794123418055916,12.769738424614747,8.346065214951233,5.706924541721795,3.897777478867205,2.645390776096677,1.866973396579676,1.2021049105995987,0.8412609923560826,0.7511610838008674,0.5216290759344521,0.3566827838576122,0.24361109242920032,0.16533692350604232,0.11668583728622975,0.08014032737330658,0.06009007088257733,12.769738424614747,8.346065214951233,5.706924541721795,3.897777478867205,2.645390776096677,1.866973396579676,1.2021049105995987,0.8412609923560826,0.7511610838008674,0.5216290759344521,0.3566827838576122,0.24361109242920032,0.16533692350604232,0.11668583728622975,0.08014032737330658,0.06009007088257733,26.752900468145683,50.98106336489445,48.05882352941172,48.68000000000003,31.373980838323405,407.76589700598805,0.5047717069461449,0.9619068559414048,0.9067702552719192,0.9184905660377364,0.5919619026098756,7.693696169924303,6.733600000000007,80.53300000000007,82.92610884724671,117.33982338204865,165.8522176944934,9.756012805558438,82.92610884724671,1.0547118733938987E-15,6.204187490552346E-17,-58.62536491082004,6000042.482774623,352943.67545733077,26.532371082970492,280,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,13.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.400000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.934378880799335,0.0,18.85389681836922,0.0,0.0,0.0,1.0450576341647768,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.304875019260842,0.0,1.3711574074074073,0.0,0.0,0.0,1.0450576341647768,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3246288422776518,0.0,1.5060763888888888,0.0,0.0,0.0,1.0450576341647768,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,26.833333333333336,1.5784313725490198,0.2,2.3246288422776518,0.2,1.0450576341647768,12.527379437479306,0.28827569916855644,0.32462884227765176,1.8930633171542266,0.28827569916855644,0.32462884227765176,1.8930633171542266,8.5,0.5,0.0,0.0,0.4283,0.7,0.4283,0.4283,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.17647,0.05882,0.0,8.0,0.47059,8.0,0.47059,0.0,0.0,-8.0,-0.47059,0.0,0.0,23.65811,1.39165,23.65811,0.0,0.0,8.34606,0.49094,8.34606,0.0,0.0,0.06794,0.004,0.06794,0.004,0.0,16.0,0,0,0,0,0,0,1.0,0.9052002969560479,1.2189034000363896,2.243827914081259,2.98987316330034,2.9773425144903416,2.9232905715947606,47.975615738670534,64.60188020192865,118.92287944630674,158.46327765491802,157.79915326798812,154.9344002945223,0.15803297272309566,0.21280033647557714,0.39173517367785604,0.5219823122575717,0.5197946686075947,0.5103580950161232,4.822720157607152,4.50901705452681,3.4840925404819405,2.7380472912628595,2.750577940072858,2.804629882968439,0.1587948196479188,0.21382620645164419,0.39362365449466924,0.5244986897739417,0.5223004999097245,0.512818434390539,6.696195799813777,10.460633036777878,15.422649026751381,16.517049199763054,15.726392295650767,16.687469289794915,67.31538884394656,57.30405332474595,46.63538693934216,43.45412381508549,46.17508048513515,42.678273574319384,17.0,14.0625,12.25,17,0,13,3.33,2.5039,0.2823108086643086,7.384008283357901,0.5723571212766659,0.0,21.194322207800443,5.422649397715173,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.103,0.084,0.08800000000000005,0.024999999999999994,8.029,16.0,16.0,16.0,16.0,15.0,14.0,11.0,8.0,5.0,150.0,2.833213344056216,2.833213344056216,2.833213344056216,2.833213344056216,2.833213344056216,2.772588722239781,2.70805020110221,2.4849066497880004,2.1972245773362196,1.791759469228055,5.017279836814924,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,0.8125,16.0,1.0,2,6.0,12.0,1.0,1.5,0.666666666666667,0.375,0.24000000000000005,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407406,0.060000000000000026,0.01652892561983471,0.09375,0.041666666666666685,0.0234375,0.015000000000000003,0.01041666666666667,0.008163265306122448,0.006696428571428571,0.006734006734006732,0.007500000000000003,0.003305785123966942,0.2236147635133025,82.92610884724671,117.33982338204865,165.8522176944934,9.756012805558438,82.92610884724671,1.0547118733938987E-15,6.204187490552346E-17,-58.62536491082004,6000042.482774623,352943.67545733077,26.532371082970492,0.0,302.58819734053435,5.08746284125034,4.174387269895637,4.859812404361672,5.572154032177765,6.285998094508865,7.014814351275545,7.742835955430749,8.480321716640333,9.21602418844448,9.958307122300235,96.30465513503529,3.4965075614664802,0.0,4.574710978503383,0.0,5.808142489980444,0.0,7.123672785204607,0.0,8.491465042843506,8.793308627496552,240.28170115199998,4.533617002867924,32.684404803711224,1.9226120472771309,0.0,0.0,0.0,672.0,16.0,9.952000000000002,64.0,1.2391538461538463,2.1405496519160967,2.8731924154753212,3.5864219141462095,4.646191217187156,5.5337524259457105,6.429235243081585,7.362767774919808,8.32673580293134,9.268788472315332,76.9333635098461,73.11438200806293,74.29555265836824,96.51477337063395,117.58031134840286,132.88168144981148,144.08573433994985,146.66455771903324,134.58874372628193,130.472018131662,286.8755116646465,333.18496116752175,351.34153191645964,458.5391395816324,568.2838478625922,661.5614486497219,730.1928907356529,799.8634279359959,787.5062346186199,819.9602983997726,9.018011016615391,15.243742966085897,20.131867933160173,25.211688343451954,32.58526148350071,38.796225215242465,44.95090185451621,51.460089004524754,57.82026257395799,64.22782073103821,2.164950165636153,2.774292324185668,3.0539895989278816,3.9620775581220005,4.962087397997616,5.832471836742292,6.514331667903571,7.287190976283752,7.442145788544209,7.934170170915124,177.40459828772302,329.9910951005181,468.27116114369375,578.0428623829587,754.6074516789977,899.4447216914245,1054.4046168102798,1207.827715053383,1394.7387052132544,1562.2520706844884,2.346875,3.385940014822946,4.077128460521883,5.204341239100372,6.646581617242682,7.948507464137464,9.100783274463307,10.629131051853882,11.531758643846889,12.90373673764938,0.44852538461538427,0.5854678722176275,0.6507645714877437,0.8428850259148306,1.057806693558502,1.2451780041158187,1.3940514997761184,1.5641566625565224,1.6083847713262753,1.7212358136151866,670.408672792897,618.459405493827,16.781629941026853,199.1328610407487,-183.70226378558746,-11.928919174323934,471.27581175214834,802.1616692794145,28.710549115350787,0.7709909724923555,0.7112476879248715,0.01929940007240343,0.2290090275076444,-0.21126335734151602,-0.01371863069235067,582.9481856357146,537.776140066947,14.592324239149125,173.15429342605492,-159.73674822083274,-10.372690675819221,0.032389152651236125,0.07063966773542978,0.3897838326988997,4.691855076094422,869.5415338336459,0.0,1.0,0.0,993.305106338399,31.516743269862115,9.97763369995279,1342.0384052827546,36.63384234942814,11.030325151806709,1893.378141782544,43.51296521477873,12.371217803926418,3.3566844527267725,3.3566844527267725,4712.621641496995,4264.929875281177,596.5313380841471,1.1049704870437764,7.900040350993645,7.1495487378394245,7.736790518868129,8.108225633110866,16.210047073847118,0.9992101610556493,10.38478867210766,15.182781423795928,6.011770417769953,65.89066832696713,30.39170952454533,11.625886216596628,19.90446333694918,32.31916160959708,46.33455793341507,16.561771324023756,12.752644645724416,46.97166329630144,18.44342118873514,48.05377958512935,10.128000859115646,10.150537830654192,18.22466814024297,10.092932498234909,26.66640225440801,7.940117296746575,3.630831816410841,6.8933361010586705,5.29596840324615,12.627412624549178,5.7953434342053045,2.6734292161328304,0.056288164138106424,3.600274093918311,0.5478884550853566,3.3506037320236994,0.8450482865654029,15.175655958933268,0.42473860764500593,17.474687592856043,1.361056378313676,1.3652139802915746,3.022903264912844,3.4231161769670226,12.132876114796272,1.549959203470628,0.49621788058983834,6.15227805373095,1.7219049750884448,9.425451804636392,0.41613311198099856,1.3330136676695314,0.7495831287633571,0.4219880160480094,5.2004596145307245,0.49165925985546904,0.21706403823782647,0.19586501814029342,0.07102671505761143,2.646196249955662,0.25181388454358816,0.20000085368568205,0.005023356967110569,0.05780245225803514,0.5457574133140141,0.27929417617498137,2.7453640559646724,15.176144660012053,1.4236823367688016,21.476674434534022,3.5647853457544203,2.7198349624615434,5.66787070982418,7.33602012197251,16.612844639313675,3.4213138223747572,1.870576539134288,12.349761734765076,3.9285350387366083,14.911783811580712,1.6272932973015493,2.604707338036727,2.791589385283331,1.3106015746650135,8.629882508166817,1.39663263396064,0.7193649604094899,0.8808206008245416,0.47534470009005253,4.296572233201036,0.9674370229365217,0.6167355892024458,0.015415032474702306,0.34759829749988475,0.5459003540931872,0.9028468051271239,9.784163733791395,15.182003554679968,5.619682363036182,60.84626318911688,27.297737073411103,10.736018137675016,18.587647761673473,29.84779944163945,43.355869946753465,15.22075883169623,11.603464289840153,43.71757084493548,16.992891123437328,44.840459438262634,9.260608439220965,9.423892993379793,16.615350454919323,9.116894184058983,25.015403910499924,7.266414342136201,3.3530280087326134,6.242002813395262,4.741835376068682,11.879460843609895,5.308830474355605,2.490825020353278,0.053124098438888864,3.2301199899784274,0.5476546765209974,3.161389182956681,4.063811275287001,15.176766891585753,2.151436776803144,25.970028462991692,6.182728775031624,3.8694020220618284,7.721367332747429,10.611610876317853,20.43089742609391,5.060129760770615,3.1487907513639786,17.237953773450982,5.801578320055344,19.39015290238203,2.687713640151045,3.6345041385069865,4.646175980973247,2.2428942694360496,11.266811691292611,2.2005981471901768,1.1219363634426363,1.553562933517331,0.9495183985519892,5.544412829572864,1.5821879294273575,0.9289829140314605,0.022570137854709512,0.6751892472901773,0.5460851942301655,1.33189590707926,12.627490596454388,15.186049444630932,7.520328528416319,86.92998331813794,43.34235249696615,15.21782726461905,25.10174836789265,42.26698829403761,58.36801989333996,22.0060864204746,17.460407258332424,59.87752921995367,24.29873818438924,60.91469030957166,13.649352579739123,13.05312202618305,24.795815148380694,14.142754888868199,33.16179512866845,10.681733646147027,4.737548983173153,9.578929592720295,7.613664853774818,15.552191148710586,7.76375069345039,3.384935957665171,0.06803242268386875,5.144833473702299,0.5488713413894478,4.052532534947778,6.66824421661738,14.27887574353277,3.4634560374567958,36.62556968865265,13.117886983513133,6.376129201781417,11.581445462610718,17.80055480828436,28.387254004132537,8.601634833575,6.527884183216307,27.059154128476298,10.460878297021448,28.750481871965587,5.452387153063575,5.998207072101822,9.07093221569981,4.763974844313464,17.06035118677692,4.1047285483920755,2.011416480316657,3.433130548618941,2.2137008518299837,8.805729688402018,2.8768805325601323,1.496619168255895,0.045081141501431846,1.5883010941023143,0.8770485093394024,2.679773354457152,19.148104430957815,2.769065767801167,0.776281675931296,0.8437722271909394,0.12202047458850768,0.4540234873784695,0.2932370048187254,0.4871125563352847,22.69345187469028,70.03625811161122,133.88999685555888,0.7656583407864092,1.2343730485324795,17.44037654027005,2.1748606936625023,0.3096475220117808,0.8753062692152807,0.10915298734732509,0.3765628616188501,0.18076049723504276,0.07733903973157993,19.924884755944333,44.00419902326738,75.6741348720897,0.812959403822921,0.6346623985854728,18.130936176451016,2.4151410025630105,0.4983702721367109,0.8615543942665785,0.11476381160252071,0.40701266950651777,0.2229720440998594,0.2005373542961902,21.044447451150738,54.028321449646945,96.89578881380814,0.7923315913998678,0.8305220679025674,19.107045666762268,2.7547793085695322,0.7650650813661652,0.844439762551736,0.12174803084589471,0.4520760348927411,0.2902139449076764,0.4731184773494016,22.626890056697967,69.36141295425493,132.2580345626085,0.766659643827604,1.215408457149819,18.433456065171114,2.5204030080108013,0.5810333279191517,0.8559808761444576,0.11703810546468922,0.4207255647955015,0.24286262859412738,0.2726821816549025,21.534892401101068,58.63462858473203,107.16417723686497,0.7839713142166865,0.9362703750445314,19.27626070768962,2.8136579478423154,0.811291131959135,0.8417136424914354,0.12286066866996567,0.4601290110277877,0.3027739520515768,0.5321051092156652,22.90120978749107,72.15815925580316,139.06120727183287,0.7625704637371531,1.2950080722950297,19.169078904760184,2.764291771603872,0.7672098653300278,0.8444312192612166,0.12177185365487486,0.4550219991941947,0.2921956000443162,0.4759128331364164,22.700580541694084,69.8164254485008,133.1706336035621,0.7666468288918248,1.2231304323749272 +UMLCN0018,L,rose oxide,CC1CCOC(C1)C=C(C)C,Cyclic Ethers,Olefins,C10H18O,NREL (2014),IQT,PubChem,,30,0,1.4642999999999984,2.1441744899999953,45.7306,30.404273999999972,0,0,29,11,18,0,10,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1716.898362999998,1900.6326509999992,2538.75533,2261.8484430000008,1872.1338449999955,1277.254949999997,872.7925959999999,284.64508800000056,30.481920000000002,5011.0671942143945,6482.370214564943,9169.072276151144,9851.816349876724,8269.320943210323,6319.966279877866,4861.433438845058,3083.712959908159,932.5123329279072,209.6892280000001,216.0497880000001,407.140832,514.0520280000002,560.76414,434.0793839999999,308.08148800000015,277.52025600000013,201.5539200000001,36.535236287282004,47.822577580000015,70.58773087618796,81.2189729978859,72.70135198026199,54.48790779037607,44.32553851243306,32.50100710728199,13.338387145470008,4781.912583138983,4204.041720472201,8610.51879714984,11087.506281976237,13179.650154502515,9927.899229645327,7172.596106168935,6697.213786120284,5547.52956072747,59.333333333333336,65.16666666666667,110.75000000000003,134.58333333333334,129.05555555555557,108.16666666666667,68.33333333333333,59.0,30.0,59.20339182758614,65.53905693103445,46.15918781818182,32.312120614285725,23.697896772151843,21.648388983050797,19.83619536363636,7.1161272000000135,1.016064,172.79542049015154,223.53000739879116,166.7104050209299,140.74023356966748,104.67494864823193,107.11807254030282,110.48712361011495,77.09282399770397,31.083744430930242,7.230663034482762,7.449992689655176,7.402560581818181,7.343600400000002,7.098280253164557,7.357277694915252,7.001852000000003,6.9380064000000035,6.718464000000003,1.259835734044207,1.6490543993103453,1.283413288657963,1.1602710428269414,0.9202702782311645,0.9235238608538316,1.0073986025552968,0.8125251776820498,0.4446129048490003,164.8935373496201,144.96695587835174,156.55488722090618,158.3929468853748,166.8310146139559,168.26947846856487,163.0135478674758,167.4303446530071,184.917652024249,2.045977011494253,2.2471264367816093,2.013636363636364,1.9226190476190477,1.6336146272855137,1.8333333333333335,1.553030303030303,1.475,1.0,0.19193122339021385,-0.04689164664549736,-0.03583622750261083,-0.05581643242857249,0.09141369209266949,-0.07188649105091527,0.004315622039929251,-0.0024224633438835654,0.021158335143773948,896.416017862068,26.687420965516083,41.82368502021295,-578.0140329084438,248.96914389298544,-276.6255763400715,-168.4575231355525,-300.15059518906014,557.5594687633785,1461.0162705958232,-55.8485560439398,43.594837956054576,-883.155216063074,153.0875347115672,41.63064375053388,-326.91881857412596,-606.7314478701924,903.8328868352648,1.131541793103449,0.05836248275862299,-0.08212243519619158,-0.3919908109393543,0.2521693222354313,-0.6824730273483923,0.020739486325800104,0.01803145778834416,0.2415126278240142,6.517919588417315,-0.5664665575172244,0.015901103278079726,-3.5017113595297684,-0.21279646029474775,1.6090006592829815,-1.4692615740162294,-2.8211471842962244,3.6875215788844855,35.849691529858646,-3.613400169345095,-0.2755960836488829,-18.365446253933268,-2.6489188712642284,10.958262739581695,-7.968545785370385,-15.479980433101467,19.468779092152342,8.662835249042145,-1.3659003831417604,1.5235500066058945,-6.154544854009775,6.025762980578666,-6.187607345752413,0.6916369401506133,-1.971726780288019,3.107411811335709,0.006618318047938408,-0.0016169533326033571,-6.515677727747424E-4,-7.973776061224641E-4,0.0011571353429451834,-0.0012184151025578858,9.808231908930115E-5,-6.056158359708914E-5,7.052778381257983E-4,30.910897167657517,0.9202558953626235,0.7604306367311445,-8.257343327263483,3.1515081505441196,-4.688569090509687,-3.828580071262557,-7.5037648797265035,18.58531562544595,50.37987139985597,-1.9258122773772346,0.7926334173828105,-12.616503086615344,1.9378168950831292,0.705604131364981,-7.429973149411953,-15.16828619675481,30.127762894508827,0.03901868252080859,0.0020124994054697585,-0.0014931351853853015,-0.005599868727705061,0.0031920167371573584,-0.011567339446582921,4.7135196195000235E-4,4.5078644470860404E-4,0.00805042092746714,0.22475584787645914,-0.019533329569559464,2.8911096869235867E-4,-0.05002444799328241,-0.002693626079680351,0.027271197614965787,-0.033392308500368846,-0.07052867960740561,0.12291738596281618,1.2361962596502982,-0.12460000583948602,-0.005010837884525143,-0.2623635179133324,-0.03353061862359783,0.1857332667725711,-0.1811033133038724,-0.3869995108275367,0.6489593030717448,0.2987184568635222,-0.04710001321178484,0.027700909211016263,-0.08792206934299679,0.07627548076681855,-0.10487470077546462,0.015719021367059393,-0.049293169507200474,0.10358039371119031,-0.244314842667169,-0.09844914796406685,-0.12048040005735981,0.17483827984145134,-0.18409739358739635,0.014819825577867715,-0.009150600372847591,0.10656451276854106,0.029771245084581354,0.024600730046968458,-0.2671337322393622,0.1019545998115378,-0.1516801361370837,-0.12385858781441166,-0.242754677712098,0.601254487200456,-0.03822582757491398,0.015733136972340037,-0.25042745715804693,0.03846410959851456,0.014005675516015673,-0.14747900189029053,-0.3010783032050013,0.5980119054967448,0.051577841061048034,-0.038267186099607935,-0.1435176270936022,0.08180739407218739,-0.2964564331564522,0.012080160874182034,0.011553092405623909,0.20632221303663614,-0.0869091049426055,0.001286333465509086,-0.2225723978527099,-0.011984676283755465,0.12133698799221394,-0.14857147796538533,-0.3138013105054908,0.5468929379331647,-0.10079306167350283,-0.004053432329541779,-0.21223451847973654,-0.027124025300871848,0.15024577636653932,-0.14650045402588732,-0.3130566912870398,0.5249646227333885,-0.1576735957540909,0.0927324996984441,-0.29433089025083714,0.2553423767908225,-0.35108209206965585,0.05262152707973134,-0.1650154798761612,0.34674922600619174,1.2564134268959193,1.4950698975079044,1.417098256823032,0.6382850913347631,2.004991747179489,0.23395341947442672,0.22748549850358052,8.627527805644893E-4,1.1907167824794074,1.098813368438328,1.3382400433462434,0.7958110368319671,1.1763317115764942,0.9883614841875391,1.0399281703190628,0.0,1.361751009840044,1.0814142245110903,1.2992641325676815,0.8691747995468005,0.8532490104508582,1.127655712645374,1.1864899237399154,0.0,0.8856217906163546,1.456252161308844,1.4558521921508865,0.6791455913841867,2.228080768947864,0.15338187334997758,0.1613844058725851,0.0,1.4533661739834616,1.112318241079405,1.2843123788327773,0.9102226412687033,0.738777368189999,1.1299918329534062,1.1889479285857578,0.0,1.4748490094731281,1.1276626698271919,1.2819993145202426,0.9202003022386582,0.7237298362763595,1.1159889898877655,1.1742145024036488,0.0,1.2105263157894737,1.1133126934984523,1.5237505528527204,0.5392679390210448,1.9409928110405625,0.3999437095412328,0.7070433436532509,0.0,55.264876504595975,27.27899761836244,40.73203746691483,55.37851286823232,5.034410260748391,27.278997618370234,0.24999999999996447,2.5310850008175567E-5,2.300986364379597E-6,-11.642705140092776,80.0823591390501,7.280214467186372,4.821361153786521,55.26707432511769,27.28132019301419,40.73513106991306,55.38037686107164,5.034579714642877,27.281320193021962,0.24926557909869018,5.5579551205886535E-5,5.052686473262412E-6,-10.777464729266041,80.05847490821773,7.278043173474339,4.8210330344250005,59.348513059617424,29.47475929077971,43.91031538458469,59.02206303211541,5.365642093828674,29.474759290780415,-0.3989944780580075,0.0012971549124143888,1.1792317385585353E-4,-7.312340135931493,64.8878127090543,5.898892064459482,4.5899258024303995,55.26938418712429,27.283758181276028,40.73837911555476,55.38233636904199,5.03475785173109,27.28375818128378,0.2484948002189462,8.726124166313909E-5,7.932840151194462E-6,-10.28126457699526,80.03343067440649,7.2757664249460445,4.8206888738965,65.17184138361546,32.04477355963813,48.09373797768859,64.28632789461066,5.844211626782787,32.04477355963818,-1.0822942643391897,0.046775479278391874,0.004252316298035625,-3.3686357764506267,58.150013302030366,5.286364845639124,4.4693287184902335,55.5111906177371,27.52424308257899,41.06230072881153,55.589887974954515,5.05362617954132,27.524243082584864,0.17313418587831464,0.002765827598549986,2.5143887259545324E-4,-6.479456914126011,77.6885719108605,7.062597446441864,4.787978983592226,64.21465257647142,30.78042309062051,47.11376607613996,64.32861361543249,5.848055783221134,30.78042309062082,0.2507142857143094,0.1810948520539611,0.016463168368541916,-1.8796077745309192,85.0398950566936,7.730899550608509,4.887432549985178,0,11.890000000000002,15.994917142939324,-0.3733688797292347,0.07682303358714396,6.049152600581361,8.770884379835442,11.0,29.0,28.0,28.0,10.0,1.0,1.0,0.0,0.0,1.0,21.593725999999997,3.6891590779356878,3.386637487454798,2.8587344405080577,2.7481756270688558,2.333552793103043,2.149502851602043,1.935515090536921,1.2912319008490658,1.952986160265738,1.7674302453415074,1.3913902502140079,1.3413454699956682,1.2496297225843556,0.9727688277060567,0.7739852976920498,0.4385759781654269,3.670829347514039,3.407534510955486,2.809420951809073,2.7881612208216917,2.405454587841285,2.1879763981482783,1.9342996986718242,1.3596282351844315,1.9291744756893314,1.7083931784252773,1.3330257659545859,1.2590372780525014,1.1345406859483516,0.8841793998566364,0.6688003223111293,0.30937282138301825,3.787485064495254,3.5183856067369597,3.052745880562805,2.967454171385272,2.7042369872335206,2.4873677470484927,2.2536799239255467,1.7730381326705986,1.771460807022765,1.5391067900383733,1.0279554503187176,0.9999158943118766,0.7603185604308983,0.5140856798226219,0.26442098722228125,0.17954303207650452,3.675534599760267,3.4247532702351773,2.8220971390640015,2.813184930110077,2.457539916041688,2.2294197907990383,1.9619409887093606,1.4210549110044133,1.9146343154085954,1.6714725669214965,1.2983161433278874,1.2050665310459487,1.0582626705327125,0.8242918556060228,0.6013919559037963,0.22428726203953764,3.8212569643192666,3.572669509937385,3.1225275886502217,3.0540831491806473,2.8389820851496492,2.606011582812354,2.37154899876448,1.9386010857757818,1.7368413314722964,1.4888341657695352,0.9519443430737189,0.9205916815174939,0.631337262187562,0.39800725799874936,0.14684497700004132,0.34245071576065905,3.786291693966593,3.499810364393814,3.1040771094240855,2.8154393232971366,2.648424206280378,2.4134295329740922,2.227941865455269,1.5759006610060418,1.8758768355281195,1.574778604309406,1.1876323179716495,1.097972659325363,0.8662459884585945,0.6593181364510801,0.4379187337107459,0.07097675879460655,0,0,0,1,1,4,3,1,0,0.0,0.0,0.0,0.08333333333333333,0.1422588984322123,0.0,0.0,0.0,0.048112522432468816,0.07589030021024659,0.9010475702906076,0.0,0.0,0.0,0.6735753140545635,0.0,0.0,0.0,0.9865328999870364,1.60488113617723,1.6968331801632253,0.7091669382972663,0.891602413716308,0.8576217830846904,8.267584713501616,5.181540550352056,4.767352149998262,2.849735975274351,2.4404686731756358,1.5781210371298213,0.9592756949471919,0.3086039939063212,0.7515986103183288,0.471049140941096,0.3405251535713044,0.20355256966245364,0.1435569807750374,0.09283064924293066,0.07379043807286091,0.04408628484376017,7.761619441592384,4.4484810034996904,3.7828085488178953,2.0964802959750988,1.4910062353158366,0.9145653932939901,0.5450760464882299,0.1547447246206339,0.7056017674174894,0.4044073639545173,0.2702006106298497,0.14974859256964992,0.08770624913622568,0.053797964311411185,0.04192892665294076,0.02210638923151913,15.591249338489726,28.321194464675887,26.878431372549027,27.23999999999999,17.66722994011976,222.15151137724553,0.5376292875341285,0.9765929125750306,0.9268424611223802,0.9393103448275859,0.6092148255213711,7.660396944042949,2.693890000000001,47.29900000000002,49.187493356856564,71.08868243143543,98.37498671371313,8.943180610337556,49.187493356856564,0.1490036426598566,0.0135457856963506,-2.0941629785493148,48.01518309593468,4.365016645084971,4.258669002928611,103,0.0,0.0,1.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,6.0,3.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,3.0,0.0,1.0,0.0,2.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.582777777777778,3.596712962962963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.33625,0.0,0.0,2.2435416666666668,1.2008333333333334,0.0,0.33625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.5551766817838235,0.0,3.368943688586546,0.0,2.2318055555555554,0.0,1.2297222222222217,0.0,0.0,1.3649074074074075,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.582777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.582777777777778,1.3649074074074075,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.33625,0.0,0.0,0.2569444444444445,0.3302777777777778,0.0,0.33625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1276114890400604,0.0,0.9400925925925926,0.0,2.2318055555555554,0.0,0.3923611111111108,0.0,0.0,1.3649074074074075,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.582777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.582777777777778,2.2318055555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.33625,0.0,0.0,0.5402777777777779,0.5402777777777779,0.0,0.33625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2999537037037037,0.0,1.2292677626606199,0.0,2.2318055555555554,0.0,0.8373611111111108,0.0,0.0,1.3649074074074075,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.582777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.333333333333332,1.8484848484848484,0.5402777777777779,5.582777777777778,-0.034930555555555465,0.3923611111111108,5.410752739984882,0.9409722222222224,2.082777777777778,5.739520030234318,0.9409722222222224,2.082777777777778,5.739520030234318,5.33333,0.48485,0.0,0.01515,0.47816,0.7697,0.43333,0.46667,0.7697,0.04483,0.01149,-0.03333,0.0,0.62992,0.08437,0.0,0.28125,0.28125,0.0,7.0,0.63636,6.0,0.54545,1.0,0.09091,-5.0,-0.45455,0.0,0.0,11.11474,1.01043,13.56509,2.45035,0.22276,4.15442,0.37767,5.18152,1.0271,0.09337,0.23248,0.02113,0.31848,0.02895,0.20689655172413793,11.01,1,1,1,1,0,0,0.8,1.1242592373746325,2.3239510537049597,3.7454064259382487,3.883337460421007,3.883337460421007,3.883337460421007,32.60351788386434,67.39458055744383,108.61678635220922,112.6167863522092,112.6167863522092,112.6167863522092,0.23142520287795176,0.4783779631982549,0.7709800490563452,0.799372715602612,0.799372715602612,0.799372715602612,3.7337217577529405,2.534029941422613,1.112574569189324,0.9746435347065656,0.9746435347065656,0.9746435347065656,0.2291184642226998,0.4736097144258337,0.7632952789471699,0.7914049406148258,0.7914049406148258,0.7914049406148258,9.465905525546166,21.75027630076969,23.940935639053137,24.079945988294522,24.079945988294515,24.07994598829452,40.80778379514381,21.602482035082225,19.022685336083747,18.510138854669243,18.510138854669243,18.51013885466924,9.090909090909092,4.13265306122449,3.2653061224489797,4,2,3,2.45,1.4247,0.7211247851537042,3.4863897492336626,3.6493211973440407,0.0,2.6207413942088964,6.328635748716157,0.0,1.1905507889761497,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.456,0.446,0.4600000000000001,0.375,4.9399999999999995,14.0,14.0,17.0,17.0,13.0,7.0,6.0,0.0,0.0,110.0,2.5649493574615367,2.8903717578961645,2.9444389791664403,3.1780538303479458,3.2188758248682006,3.091042453358316,2.70805020110221,2.5649493574615367,0.0,0.0,5.030437921392435,1.3818181818181818,0.5,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.09090909090909091,4.0,0.36363636363636365,0,3.0,6.0,1.0,3.0,0.666666666666667,0.75,0.4222222222222224,0.22916666666666669,0.08,0.0,0.0,0.0,0.0,0.2727272727272727,0.04761904761904764,0.06818181818181818,0.0469135802469136,0.03819444444444445,0.02,0.0,0.0,0.0,0.0,0.49363616321949655,30.3810712578805,45.63611947243007,60.76214251576101,5.523831137796456,30.381071257880805,0.10479791902282026,0.009527083547529114,-2.4812935003393015,146.01926799454094,13.27447890859463,5.482112444122681,9.23,175.3136142584279,4.459431618637298,3.9318256327243257,4.672828834461906,5.493061443340548,6.255750041753367,7.080867896690782,7.8504931808711405,8.676416696964216,9.448648359810164,10.274602732600881,85.68449481921733,3.1354942159291497,0.0,4.3694478524670215,0.0,5.777652323222656,0.0,7.271703706887368,0.0,8.808817483100642,9.055322649709574,154.135765196,5.315026386068966,21.392285370913555,1.944753215537596,3.0198999784896845,3.0198999784896845,0.0,162.0,11.0,2.6959999999999997,50.0,1.2446075781756536,2.152276423508164,2.993427022754187,3.6732468672460974,4.381605591974405,5.2839302912610355,6.17621724390696,6.262145845471529,0.0,0.0,94.52084305371615,112.20988692346721,103.81567068751038,98.42246919922277,110.00688250222413,113.46565920876452,42.89653714129873,6.362740956333183,0.0,0.0,305.38790790690035,390.50586150602,440.0069204044438,409.1481919300998,513.5554786219034,621.4332059809656,468.1907589909532,194.6509410498487,0.0,0.0,9.344704367557668,16.02765868865946,22.04067884377362,26.196789744943672,32.46324975539959,37.13464748050158,42.81269353990161,42.072001425550035,0.0,0.0,2.189397660966606,2.9426689391589496,3.5843818180716767,3.5081177440059386,4.307660187293414,5.5920241733168465,4.954749567775275,2.7842308549431936,0.0,0.0,178.3243044173242,332.2498286991384,470.85136173990423,609.5424796312101,730.2917221124176,850.7073157019478,1037.1083309745586,1157.9813063780007,0.0,0.0,2.902176108268738,4.525763261100028,5.871678067866578,6.234923692136457,8.364731091785718,8.475688451502672,9.000500359934538,6.262145845471529,0.0,0.0,0.47284005412487107,0.6528229757920517,0.7965670667526302,0.7903997816300445,0.9820143526919606,1.1965906317142059,1.086781780720275,0.6412437345762847,0.0,0.0,346.6616593542435,258.1868053171849,11.48178164569065,64.28405427591773,-47.87750291524286,-8.89193042243231,282.3776050783258,306.0643082324278,20.37371206812296,0.8435704470353195,0.6282747252342562,0.027939898786786974,0.15642955296468047,-0.11650566322327227,-0.02163772519704337,142.45912299154548,106.10076096096208,4.718388952134031,26.41725655945703,-19.675054602334605,-3.654100692996187,0.1028982332756193,0.5012780530711148,0.0,8.451291257848064,394.0862257549777,16.859487875183525,0.9589739293634375,0.04102607063656236,762.8034513368038,27.618896635036016,9.13701244530228,943.1332471658585,30.710474551296965,9.806733007285324,1409.430606911557,37.54238413994984,11.211952076351611,1.8309080194025116,1.8309080194025116,927.418758834179,781.3619433194059,244.62476666051248,1.1869259397178855,3.791189140391661,3.194124429779309,4.785635451709163,4.551045599639714,8.397244258088483,0.8451241751463126,7.3801248630976835,9.00124874669103,5.961283908392872,26.616205584662747,8.523015767551913,19.715163004973014,11.414931175508851,13.181816227380859,6.556933620037474,7.967561449221929,5.993902828251809,6.134209029548063,6.15711527350499,2.6143374404546966,2.350264829126184,0.3478884693877344,1.6651463994662658E-16,1.53723799558615E-53,2.7371947779833547E-112,9.400397105647272E-193,6.226766815768656E-295,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6193656851263193,9.42881345900683,0.4475519281225438,12.204484903076633,3.577913690633251,1.7077933415572755,1.1620880839454695,4.235229724598608,1.1520027287115497,1.4375253638544072,1.1521747430179707,0.5615415444516973,0.20296731271803226,0.11169655208012198,0.01656258711509459,0.002450206935097736,1.172776224261119E-18,1.082689289561641E-55,1.9278286628848484E-114,6.6207765441224226E-195,4.385562781682331E-297,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9993807617106705,8.606409545373157,1.1749137504852776,12.386623519727745,3.9143066431924973,4.5265318446313385,2.6149770881195944,5.121486943939315,1.611773516124808,2.251566483769853,1.7697163233403705,1.2100963887883989,0.8619385944798544,0.43154108275397157,0.17252049654091497,0.02553304538319516,1.2221232472022598E-17,1.1282457155062293E-54,2.0089461030971984E-113,6.899359623530274E-194,4.5700945471807644E-296,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.966236034060462,9.440689068927325,6.190050869991623,26.001046640692163,8.174038222826443,18.709300081932252,10.889048316537908,12.715412859749582,6.342648456864329,7.902237073137792,5.566333687200684,5.620081635450879,5.595771684181637,2.3935588536098105,2.094050177031092,0.3099623629996403,1.4836154633905328E-16,1.3696513783377304E-53,2.438791267980754E-112,8.375584580683257E-193,5.547937128989097E-295,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.9467178506445113,8.294822165067949,1.613139734057912,13.280410667088177,4.354740493574726,6.660202112658933,3.719159982370896,6.01183216284718,2.0697882353556207,2.83311132485874,2.3037250847058792,1.800486966303042,1.4795075834028966,0.7078155351669907,0.3747142443284131,0.05546118646704901,2.6546150011314488E-17,2.450700457749695E-54,4.3636993846200755E-113,1.4986331040467442E-193,9.926856042799167E-296,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.912568919077886,9.287689442445776,8.074514545558271,33.575776613474986,10.547555464968983,25.1338100438178,14.918590911060365,16.37491393088209,8.775003902390905,10.469152448168051,7.7259235434199125,8.234188850693512,8.459009187800808,3.508500364020714,3.4276094513692246,0.5073626374964751,2.4284595305438727E-16,2.2419171445177034E-53,3.991941337818244E-112,1.3709595714480981E-192,9.081154199459361E-295,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.596908581345313,9.260096806932822,4.453764169179479,20.07282012154976,5.752557518538937,11.469343561008447,6.62891990787373,9.526213135388293,4.322382188190126,5.701590156438367,3.194416508227526,3.182397392787627,2.7571142612416595,1.3036796890744546,0.8294674331895772,0.12277212918300597,5.876411173491381E-17,5.425014002656741E-54,9.659740418331614E-113,3.3174619723880193E-193,2.197466967627406E-295,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.169129053094132,1.7644288677923048,0.771175450480981,0.7087097088333941,0.20269763501270027,0.5487677182059956,0.5163276354810935,0.42503042765734506,8.704733371367418,17.003154493972044,34.10212446197383,0.5630645632500912,1.4901257813444342,4.752361324389853,1.328403177243452,0.31982057856696033,0.7424885795348507,0.2075440230226403,0.3272333362713769,0.2964899870541361,0.07184758080870446,6.4005850802002655,8.257805503770179,16.677434489627874,0.613732869302276,0.6955709041342175,5.431151981864656,1.4194020460027055,0.5019941272577506,0.7386761524409545,0.19304899689957253,0.42549806049441097,0.3347269832487819,0.1798309446687435,7.352548155125112,11.147926125661686,22.37034110196148,0.6080142286614317,0.9400559884119364,6.069976483412222,1.7693068497941011,0.7522486839892404,0.7065068804100874,0.20593612946479317,0.5316229706090205,0.5194531824548348,0.4042550975958669,8.591532017195563,16.636741541013595,33.30716186703862,0.5597603206151309,1.4553312506597225,5.720568100318232,1.487123717045825,0.5862630787274822,0.7339750071157,0.19080476303392233,0.47161500078538715,0.3664482118097013,0.24591109208613068,7.793954896091539,12.732796092325756,25.51420385301183,0.6009625106735499,1.0839743046812191,6.247465962370493,1.817295467491209,0.804733395641853,0.7043767525977221,0.20489278174735667,0.5628913932496479,0.547842564055698,0.462585943182657,8.869494825503553,17.843474427215554,35.84950308164537,0.556565128896583,1.573319900488003,6.123018610400336,1.7623992157889115,0.7566316315214536,0.7085146457866185,0.2039330166314247,0.5406624522762385,0.5151817078230868,0.4090806537761691,8.642049457710701,16.757559752288387,33.5645748911991,0.5627719686799278,1.4649248138754944 +UMLCN0019,L,2-ethyltetrahydrofuran,CCC1CCCO1,Cyclic Ethers,,C6H12O,Marquardt (2015),IQT,PubChem,,28.1,0,-1.0056000000000005,1.011231360000001,24.3627,19.363515999999994,0,0,19,7,12,0,6,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1133.7454949999988,1250.9336389999996,1583.3406679999985,957.9350399999998,509.542322,135.29577600000002,12.192768000000001,0.0,0.0,3130.497120631501,4099.882909344516,5669.395828906876,4690.128485502687,3050.906874655759,1582.5385857382093,373.00493317116315,0.0,0.0,139.21638,143.18193200000002,278.4819920000001,338.53216799999996,236.8007120000002,165.23481600000005,80.62156799999998,0.0,0.0,22.711958858187984,29.985711720000005,43.83645618194303,40.96147778328205,28.32737356073498,17.360023767886,5.335354858188001,0.0,0.0,3165.2292466334884,2778.129009834801,5853.306566498294,7729.555652130583,5573.499442899885,4120.0726054684865,2219.011824290988,0.0,0.0,39.02777777777778,40.75,73.25,79.83333333333333,52.0,31.0,12.0,0.0,0.0,59.67081552631572,65.83861257894735,42.792991027026986,20.824674782608692,15.440676424242424,5.6373240000000004,1.016064,0.0,0.0,164.76300634902637,215.7833110181324,153.22691429478044,101.95931490223232,92.45172347441694,65.93910773909205,31.083744430930263,0.0,0.0,7.327177894736842,7.535891157894738,7.526540324324327,7.359394956521738,7.175779151515158,6.8847840000000025,6.718463999999998,0.0,0.0,1.1953662556941045,1.5781953536842108,1.1847690859984603,0.8904669083322184,0.8584052594162115,0.7233343236619166,0.4446129048490001,0.0,0.0,166.5910129807099,146.2173163070948,158.19747477022418,168.0338185245779,168.89392251211774,171.66969189452027,184.917652024249,0.0,0.0,2.054093567251462,2.1447368421052633,1.9797297297297298,1.7355072463768115,1.5757575757575757,1.2916666666666667,1.0,0.0,0.0,0.17081630131630743,-0.04193452878048344,-0.03560884712187623,-0.011950238286892843,-0.012321608164818363,0.004588560624474471,0.011818511071442654,0.0,0.0,605.7336044210524,26.876601263158374,-111.92975950415472,-255.873668493075,-147.24054552077592,-32.84208084764586,218.14265089196635,0.0,0.0,916.6964703541342,-57.43271798439578,-247.24582386018838,-226.01588462102018,-125.14196312509391,-129.36359532882537,326.8517497424564,0.0,0.0,1.062550736842105,0.04492210526315879,-0.16767059279778207,-0.4421944155124642,-0.1986889639889201,0.10124749030470732,0.13110900831024794,0.0,0.0,4.06328756333242,-0.5896225322105231,-1.3402074745365538,-0.4491250857665987,-0.18034888128678483,-0.7314171206724277,1.2590773128066797,0.0,0.0,22.472433534563987,-3.77431920849998,-7.768408083526977,-1.6353377426220028,-0.3898912848390059,-4.192109098685998,6.523848650891982,0.0,0.0,6.570175438596495,-0.42105263157894623,-1.215604801477376,-1.4769159741458924,-1.415743305632504,0.11311172668513303,1.1311172668513378,0.0,0.0,0.008990331648226707,-0.0022070804621307076,-9.624012735642225E-4,-2.597877888454966E-4,-3.7338206560055646E-4,1.911900260197696E-4,9.848759226202212E-4,0.0,0.0,31.88071602216065,1.414557961218862,-3.025128635247425,-5.562471054197283,-4.461834712750786,-1.3684200353185776,18.178554240997197,0.0,0.0,48.24718265021759,-3.0227746307576724,-6.682319563788875,-4.9133887961091345,-3.7921807007604214,-5.390149805367724,27.237645811871364,0.0,0.0,0.05592372299168974,0.0023643213296399364,-0.004531637643183299,-0.009612922076357918,-0.006020877696633942,0.004218645429362805,0.010925750692520662,0.0,0.0,0.2138572401753905,-0.031032764853185426,-0.03622182363612307,-0.009763588821013015,-0.005465117614751056,-0.030475713361351155,0.10492310940055664,0.0,0.0,1.182759659713894,-0.19864837939473579,-0.20995697523045884,-0.03555082049178267,-0.011814887419363816,-0.17467121244524994,0.5436540542409986,0.0,0.0,0.34579870729455237,-0.02216066481994454,-0.032854183823712864,-0.03210686900317157,-0.04290131229189406,0.004712988611880543,0.09425977223761149,0.0,0.0,-0.24549488811862039,-0.10704847287297246,-0.028896352104734457,-0.04153151187411468,0.021266181660548725,0.10954834161368034,0.0,0.0,0.04437033221699244,-0.0948889803210387,-0.17447760741417304,-0.13995403082067898,-0.04292312739674269,0.5702053312843123,0.0,0.0,-0.06265183715849655,-0.13850175692608527,-0.10183783852686734,-0.07859900811728163,-0.1117194727088052,0.5645437581161752,0.0,0.0,0.04227760962894538,-0.08103247424812364,-0.17189345705375153,-0.1076623188611503,0.07543570427150738,0.1953688007170808,0.0,0.0,-0.14510972285873772,-0.16937384774261796,-0.04565470317023456,-0.025554980557445494,-0.14250494084912504,0.4906221987831984,0.0,0.0,-0.16795329276176718,-0.17751448783876073,-0.030057518617419114,-0.009989254640475141,-0.14768107029242303,0.4596487965885705,0.0,0.0,-0.06408544726301715,-0.09500956229928174,-0.0928484355952865,-0.12406440911113817,0.013629283489096464,0.27258566978193105,0.0,0.0,1.1992566562323819,1.4713932116086728,1.3275180404067017,0.88771727565437,0.12716479108633566,0.03000998005744379,0.0,0.0,1.1609588132368027,1.2136015361297694,1.1445429969485554,1.012167879917791,0.7495003256157822,0.0,0.0,0.0,1.4315613096597946,1.2288537444731467,0.9791025006218398,0.9451918604824454,0.9209458394346676,0.0,0.0,0.0,0.8619615637920747,1.4439438178052468,1.4764664569351824,0.9475928251086181,0.08369953256473589,0.0,0.0,0.0,1.5835693435058207,1.2833077123356968,0.9138494376518818,0.8818447196760808,0.9288269681529775,0.0,0.0,0.0,1.6171586177149646,1.3048359466645851,0.9051587186202003,0.8625236313783649,0.9122698060337812,0.0,0.0,0.0,1.0173564753003999,1.3677696387976754,1.3185406629128684,0.9962374074523602,0.3139185580774364,0.0,0.0,0.0,23.459636031374067,11.854818015687028,17.895998718899182,23.638207459945487,3.376886779992213,11.854841439865227,0.24999999999999112,0.15468341479443987,0.022097630684919982,-1.3064623151842807,47.791079949170566,6.827297135595795,2.706787307098838,23.464908778660373,11.857087178879537,17.899446264192882,23.64295562087373,3.3775650886962474,11.857110543145875,0.24926557909870084,0.15461192247633526,0.022087417496619324,-1.3067859193097493,47.72415450089985,6.817736357271407,2.705806357374412,28.358683730455652,13.979844626198815,21.368459055908904,28.073687674699926,4.0105268106714185,13.979847144122353,-0.39899447805802346,0.0631173729327136,0.00901676756181623,-1.9339314564603742,30.762831737787245,4.394690248255321,2.398415039647255,23.470443331156233,11.859469065687584,17.903065820367424,23.647939617026893,3.3782770881466995,11.859492367244082,0.24849480021893555,0.15453675398973543,0.022076679141390776,-1.3071263247241167,47.654295881513704,6.807756554501958,2.704780946663318,34.217877608361675,16.408119293842898,25.683738975202523,33.75403720935918,4.822005315622739,16.408119538390906,-1.0822942643391649,0.0373789293538378,0.0053398470505482565,-2.300653683709041,31.645860059641567,4.520837151377367,2.4182251353622797,24.015321189890834,12.094227687884564,18.263485402275528,24.13898846551819,3.4484269236454557,12.094245616522935,0.17313418587829332,0.14654980070903367,0.020935685815576238,-1.3442729801969504,42.28339524523624,6.040485035033749,2.6210761231139754,23.533597743496003,11.956411731661898,18.264556009417305,23.780548331048664,3.3972211901498097,11.95643591508221,0.4629629629629566,0.12501264311668095,0.017858949016668707,-1.4555382813028346,53.78352991968863,7.683361417098376,2.789477099483888,0,11.996835291521037,15.997417550561439,-0.39977407120315656,0.070089271605287,5.1962447657391335,7.290256182192431,7.0,19.0,19.0,19.0,7.0,0.0,0.0,0.0,0.0,0.0,15.034483999999997,3.615654856795809,3.01782829072774,2.3708348636368686,2.2595799424517287,1.5497088503936705,1.097373251557963,0.5862376338726233,0.08392307051869134,1.8088189464134976,1.637721446457871,1.3070304838043556,0.8501123094444255,0.6173806559371637,0.44058645082593034,0.08392307051869087,0.08392307051869094,3.5770680206782868,3.0542504122710272,2.411661362855224,2.1792246259090904,1.6037068691666103,1.1878751853942964,0.4547146482864383,0.27091390189293746,1.7551411748379393,1.5934231582653122,1.2684210007440986,0.7205950340126996,0.4740660622838192,0.31657217864262716,0.270913901892937,0.270913901892937,3.731747577154821,3.2362215273884263,2.652887590009672,2.508120056708881,2.0174694551060317,1.6759895242203404,1.095871932212273,0.9439184268026233,1.5652236559573032,1.3515756230858484,0.950302149545508,0.2919425361266561,0.026983686837937473,0.20792595812136408,0.943918426802622,0.9439184268026221,3.5783510486347456,3.0830886051998876,2.4504084241103348,2.184328525551547,1.659569647968238,1.2652211498103658,0.43194537354130275,0.3992772455089824,1.7241590428415476,1.5677504486316578,1.2359427410256465,0.634394013558517,0.37901905949069226,0.23574447525638362,0.3992772455089813,0.3992772455089818,3.768123815021916,3.320690091790088,2.762904797000241,2.5941032652768694,2.1787476830106987,1.868653828282843,1.208341272369585,1.207644822962089,1.5120536573473158,1.2936979666327044,0.8737646461330683,0.14399757412738792,0.20299778452917008,0.3742063179268081,1.2076448229620877,1.207644822962088,3.810790132471749,3.233314171867871,2.6817608346877733,2.5232159954422344,1.9080691802435936,1.5001530679686823,1.1423663571840024,0.642857142857143,1.6530706025914406,1.404769819231587,0.980956245777729,0.46075443648284303,0.19378686012158902,8.110814821330895E-4,0.6428571428571422,0.6428571428571425,0,0,0,0,0,2,4,0,0,0.0,0.0,0.14433756729740646,0.10206207261596577,0.10206207261596577,0.0,0.0,0.08333333333333333,0.05892556509887897,0.05892556509887897,0.20412414523193154,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.49279927982674443,0.5948613524427102,0.20412414523193154,0.2845177968644246,0.34344336196330355,0.11785113019775793,5.112884175122364,3.431851652578137,2.558730744624475,2.052095140581215,1.4186112615457085,0.49279927982674443,0.20412414523193154,0.0,0.7304120250174806,0.4902645217968767,0.3198413430780594,0.22801057117569057,0.15762347350507872,0.12319981995668611,0.10206207261596577,0.0,4.814025684399679,3.047980757104603,2.043276095478694,1.4793321798137808,0.966312842727096,0.3455220308284977,0.11785113019775793,0.0,0.6877179549142399,0.4354258224435147,0.25540951193483674,0.1643702422015312,0.107368093636344,0.08638050770712442,0.05892556509887897,0.0,9.965765927132102,18.657683903860157,17.70196078431373,17.960000000000004,11.271566467065865,146.324051497006,0.5245139961648475,0.9819833633610608,0.9316821465428279,0.945263157894737,0.5932403403718877,7.701265868263474,1.5754,29.264999999999986,22.877269839590344,33.16178178825405,45.75453967918069,6.536362811311527,22.877269839804896,0.10650955175902366,0.015215650251289094,-1.5676644269833528,23.731915679320544,3.3902736684743635,2.216774556747001,44,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,4.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.302083333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.095833333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.176574074074074,0.0,4.757453703703703,0.0,0.0,0.0,0.5972222222222221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.302083333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.302083333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.176574074074074,0.0,0.9985185185185186,0.0,0.0,0.0,0.5972222222222221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.302083333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.302083333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.176574074074074,0.0,1.2881944444444444,0.0,0.0,0.0,0.5972222222222221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.302083333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.833333333333332,1.8333333333333333,0.45,5.302083333333334,0.10416666666666674,0.5972222222222221,3.487192129629629,0.7361111111111112,1.8020833333333335,3.957314814814815,0.7361111111111112,1.8020833333333335,3.957314814814815,3.33333,0.47619,0.0,0.02381,0.48772,0.80952,0.43333,0.48772,0.80952,0.05439,0.0,-0.05439,0.0,0.58823,0.12606,0.0,0.15,0.15,0.0,4.0,0.57143,4.0,0.57143,0.0,0.0,-4.0,-0.57143,0.0,0.0,5.6027,0.80039,6.53706,0.93436,0.13348,2.96036,0.42291,3.43185,0.47149,0.06736,-0.01785,-0.00255,0.06815,0.00974,0.2631578947368421,7.01,1,1,1,1,0,0,1.0,1.1674367232867007,1.7334834339268834,2.970840013101986,3.366091329119193,3.576617644908667,3.576617644908667,22.181297742447313,32.93618524461078,56.44596024893774,63.95573525326467,67.95573525326468,67.95573525326468,0.27482501045323093,0.4080774515197963,0.6993622192704679,0.7924079020808124,0.8419676733158942,0.8419676733158942,3.0804907901568845,2.514444079516702,1.2770875003415991,0.881836184324392,0.6713098685349181,0.6713098685349181,0.27482501045323093,0.4080774515197963,0.6993622192704679,0.7924079020808124,0.8419676733158942,0.8419676733158942,10.299818506707174,17.092379034389364,19.933218254757044,21.488633474233282,21.700807165180656,21.700807165180652,25.718464457243332,18.40595725624075,16.57668441539832,14.582825449584696,14.057382286029503,14.057382286029503,5.142857142857143,2.34375,1.1851851851851851,2,0,2,2.0100000000000002,0.9041000000000002,0.0,1.519671371303185,0.4999999999999999,0.0,3.3019272488946267,2.8284271247461903,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.42000000000000004,0.41400000000000003,0.42300000000000004,0.246,3.255,8.0,9.0,9.0,4.0,2.0,0.0,0.0,0.0,0.0,46.0,2.0794415416798357,2.1972245773362196,2.302585092994046,2.302585092994046,1.6094379124341003,1.0986122886681098,0.0,0.0,0.0,0.0,3.8501476017100584,1.0,0.5,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.14285714285714285,2.0,0.2857142857142857,0,2.0,4.0,1.0,1.0,0.44444444444444464,0.2222222222222222,0.125,0.0,0.0,0.0,0.0,0.0,0.0,0.14285714285714285,0.05555555555555558,0.05555555555555555,0.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.31646825396825395,12.646764559569082,19.13821664851041,25.293529119138164,3.6133613027340235,12.646774418859136,0.12433423528055057,0.017762033611507223,-1.4593473256359066,35.743733281414855,5.106247611630693,2.503462472662814,9.23,108.7661344557612,3.807354922057604,3.4339872044851463,4.174387269895637,4.9344739331306915,5.6937321388027,6.459904454377535,7.223295679562314,7.990576881743923,8.755107121633896,9.522446728338489,72.18791141197033,2.70805020110221,0.0,3.8501476017100584,2.3978952727983707,5.176149732573829,4.442651256490317,6.577861357721047,6.259581464064923,8.017966703493599,8.436416881388949,100.088815004,5.267832368631579,13.585236367059636,1.9407480524370908,2.9460285149109904,2.9460285149109904,0.0,43.0,4.0,1.3440000000000003,30.0,1.3003990662471616,2.2281832412241473,2.955633122248401,3.694589692632894,4.514463374052562,5.0800387890050756,0.0,0.0,0.0,0.0,103.67261874396421,106.12359309539893,66.72894911366743,62.29392964430561,26.105756312435858,5.161644532111652,0.0,0.0,0.0,0.0,311.06251629225505,362.99890505714,319.9743967408139,362.2591563003689,302.62948528995815,157.90662741664622,0.0,0.0,0.0,0.0,9.975395726303383,16.961903853480084,21.892151661762107,26.372305105585706,31.104724253828326,34.13005772253419,0.0,0.0,0.0,0.0,2.1775091160450457,2.739616972983957,2.7454740712554893,3.334706646272058,3.305047446818896,2.258650802725142,0.0,0.0,0.0,0.0,188.36293168450104,349.98331862390984,493.55170085891297,617.724159796329,773.1151981061772,939.3888450549279,0.0,0.0,0.0,0.0,3.01770340178035,4.637847669840968,5.258742304840282,5.748558678659454,5.888275691898514,5.0800387890050756,0.0,0.0,0.0,0.0,0.4893225875356542,0.6385420418876657,0.6386863323503849,0.7420929499350187,0.7292521704370792,0.5201959719941197,0.0,0.0,0.0,0.0,288.793751749584,150.60865477883118,10.619441650697786,39.675517233881976,-20.691154992268302,-8.199377621432072,249.118234515702,171.2998097710995,18.818819272129858,0.8792108699950281,0.4585167289619788,0.03233009189432675,0.12078913000497198,-0.06299266612155983,-0.024962388861543092,94.85987252417839,49.47031473778586,3.4881602360172725,13.032188142354117,-6.7964085547339605,-2.6932435734311824,0.1149535502492347,0.7236898719796371,2.131040693365545,14.055928554437598,309.04668328942006,19.422585694045885,0.9408693977547605,0.05913060224523943,453.7860052915678,21.302253526131167,7.684525086706264,570.0304382730195,23.875310223597506,8.291491926475784,740.5905139545694,27.213792715359787,9.04744701327609,1.5181379920973401,1.5181379920973401,317.3855195302447,260.6139166837994,118.94778894038058,1.2178379557348267,2.6682759079223053,2.1909942085129908,3.667898469821988,3.5113037159426987,6.143755883696657,0.7497079092878212,3.3468394532338293,3.0487255179113033,12.647268339120691,5.587920262140025,10.25771077617983,8.059984401988686,6.292865680449627,3.5849182263784756,2.514236339904331,2.7531926741446595,0.6577241499583824,3.0787495307841413E-6,1.443866096767084E-32,1.306036709466986E-80,2.2785562484450077E-150,7.66725714452826E-242,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2809071080975142,2.89111907443393,1.781409043114141,4.631057657445145,1.7460178083149072,1.3184863372901634,1.1787627857144714,0.2381898042353547,0.05750831026584716,0.019519461756959282,0.004632404967159603,2.1683884680146205E-8,1.016926697765379E-34,9.198523333240037E-83,1.6048057964599726E-152,5.400111898437979E-244,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9067292526318836,2.579737771722359,3.380760979617863,3.8238989376435413,2.039143883764161,2.263432011282439,1.7231315532754796,0.7755995868426158,0.2867854884620605,0.2023989083650496,0.04827323136080619,2.259627967300887E-7,1.0597160245320456E-33,9.585570523112935E-82,1.6723313710885672E-151,5.627332948988212E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1591452779050315,3.190586571495673,12.21670014221649,5.973466156872417,10.299240037838384,7.769066706968371,5.860891861667809,3.3284798749933238,2.2675442062047524,2.4531335857490983,0.5860203762482559,2.7431104035307595E-6,1.2864586975148877E-32,1.1636551948477274E-80,2.0301525952803285E-150,6.831388077985104E-242,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.336336539067951,2.482060257387176,4.5710154043930125,3.608561440366112,2.5509702928276297,2.9705714526858937,2.2304831492713952,1.1877844635782984,0.5249969349616552,0.43932126437113916,0.10485590910478527,4.908213891442623E-7,2.3018448115622667E-33,2.0821140063664746E-81,3.632527206005861E-151,1.2223319126727236E-242,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.041786529727714,3.3176862182421623,16.16503794489849,6.483057572292993,14.149758248715408,10.396592405885876,8.321906032141598,4.592929752978811,3.536959748137662,4.014853632431264,0.959228858764175,4.490066844925303E-6,2.1057430053280083E-32,1.9047317973734213E-80,3.3230601460569484E-150,1.1181973964408449E-241,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2283857056098033,3.39140656290011,8.54095411129647,7.177717896037194,8.144702326779775,5.331438996056788,3.823504793060892,2.026983195961223,1.1654749633312553,1.1381554397758618,0.2718145721766785,1.2723403673138548E-6,5.966997644802746E-33,5.397396605450301E-81,9.416482455308452E-151,3.168611370953006E-242,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.3024659499943505,1.258776940967436,0.7636250686914615,0.620196777651066,0.23639589760821167,0.5876056510704866,0.5765591712552182,0.3918011693461215,5.324867959653248,7.640147402112142,16.139456688269462,0.4302951664765989,1.5559659916718265,2.2973698825945643,0.9241999192035494,0.31642475973597517,0.6493424007973645,0.26122140753173245,0.2854132054569664,0.34517718348821064,0.06689434593549523,3.537994561534089,3.1426135103812056,7.352450317050544,0.4740136011960468,0.6974847348806723,2.814812380779069,0.9871873195555897,0.501125743181726,0.6541320762610372,0.2294116991274347,0.42768180875872785,0.3668540592357696,0.16966241469009707,4.303125443516384,4.684027014640082,10.379654158362499,0.48119811439155574,0.9641982826845945,3.2200257119828777,1.2586764834488826,0.7465103842295959,0.6162477914327394,0.24088522031585113,0.5586848027316864,0.5826789507902452,0.3751544417141226,5.225212579661356,7.396368336535292,15.647165585765306,0.4243716871491091,1.5165181952360542,3.0305327715611745,1.0445044700987938,0.5826099637009786,0.6506574323776679,0.2242558150167686,0.4954232405147856,0.40070598490994025,0.2286987505291996,4.657647205360947,5.539562326120183,12.04140603917204,0.47598614856650195,1.1248279759539255,3.3468094087718696,1.2980122038927167,0.7956552732330955,0.6151683903753309,0.23858426956234444,0.6033777687095926,0.6124587360888465,0.4251844248830796,5.440476885897682,8.039876266032483,16.936838357621,0.4227525855629963,1.6410209296815186,3.262283941146598,1.2552238570793772,0.7519336067102764,0.6190948319665515,0.23820814401760343,0.5733521909706268,0.5752708776364235,0.3801977564594633,5.269441404936252,7.4917625635560015,15.840294361717408,0.4286422479498273,1.5288208250665138 +UMLCN0020,L,"2,7-dimethyl-4,5-diethyloctane",CCC(CC(C)C)C(CC)CC(C)C,Alkanes,,C14H30,NREL (2014),Unknown,UML,,39,0,0.1849999999999996,0.03422499999999985,61.492599999999996,44.64378999999996,0,0,44,14,30,0,14,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2050.179613999997,2238.6462130000004,2887.5053920000014,3120.673936000004,3390.2396820000013,3281.199952000004,2197.868743999993,1162.9464039999907,339.34118400000136,6861.748957418517,8947.818213856846,12737.997158513619,15269.512419646924,16559.028346160496,17112.607982557074,14867.261611525031,9391.90670491109,4245.698525577108,307.1211440000001,311.5556680000002,595.8655360000009,824.7598720000018,1006.205832000003,1010.9484160000019,1126.901024000003,986.7137440000026,493.3094399999996,52.382987145470054,69.66202929999999,105.62692216667782,132.33991331941277,146.3573103200341,152.3716386121483,144.29609975882596,100.15866288489968,48.066482872752076,7322.650545987472,6242.003060557003,13140.53523676688,18670.50587596278,23674.216305994352,23281.74122888126,26948.0649155463,25123.844535300817,12550.988442273554,70.11111111111111,83.77777777777779,132.0555555555555,179.55555555555554,204.66666666666666,223.7777777777778,243.33333333333337,187.99999999999997,96.0,46.59499122727266,52.06153983720931,34.37506419047621,26.672426803418837,23.54333112500001,22.786110777777807,13.567091012345637,8.07601669444438,4.713072000000019,155.94883994132994,208.08879567108946,151.6428233156383,130.50865315937543,114.99325240389233,118.83755543442413,91.77321982422859,65.22157433966035,58.96803507745983,6.980026000000001,7.245480651162795,7.093637333333344,7.049229675213691,6.987540500000021,7.020475111111124,6.956179160493845,6.852178777777796,6.8515199999999945,1.1905224351243193,1.6200471930232554,1.257463359127117,1.1311103702513912,1.0163702105557924,1.0581363792510299,0.890716665177938,0.6955462700340256,0.6675900398993344,166.4238760451698,145.16286187341868,156.4349432948438,159.57697329882717,164.40427990273855,161.67875853389762,166.34607972559445,174.47114260625568,174.31928392046603,1.5934343434343434,1.9483204134366927,1.5720899470899463,1.5346628679962013,1.4212962962962963,1.5540123456790125,1.5020576131687244,1.3055555555555554,1.3333333333333333,0.06000381871580948,-0.010244176236284621,-0.0052992399624023695,-0.018089767155010854,0.01846619879717057,-0.0095857644577974,-0.03568713514711215,0.01861634924757386,-0.007481733045560641,1155.6300859090916,-56.280686002068045,-38.02073009917533,-326.928251576448,246.13420011570187,-458.24985224793556,-743.9056007561934,400.2182115702501,-42.022912214874836,2148.943491919853,-104.65633889220103,-70.70117116273147,-607.9370441426929,457.6970554218917,-852.1351682244949,-1383.3242305129183,744.2228543445401,-78.14339970617493,0.22637999999999966,-0.011024999999995889,-0.007447999999996506,-0.06404299999999699,0.048216000000000474,-0.0897679999999979,-0.1457260000000007,0.07839999999999338,-0.008232000000003216,9.606777264467716,-0.467862529113661,-0.3160671307790017,-2.7177614468959432,2.046118793990532,-3.809440681494558,-6.184102940373823,3.327022429252845,-0.34933735507157637,52.18416657155858,-2.5414366836805478,-1.7168816707532242,-14.762923313642808,11.114549763292855,-20.69294224222884,-33.592145321171884,18.07243863950192,-1.8976060571470368,5.464646464646461,-2.539944903581265,0.9260789715335185,-2.4830119375573965,1.6914600550964165,1.4086317722681363,-3.4986225895316885,1.994490358126713,-1.8512396694214948,0.0013637231526320336,-2.3823665665778188E-4,-6.308619002859964E-5,-1.5461339448727225E-4,1.2823749164701784E-4,-6.656780873470417E-5,-2.2029095769822315E-4,1.292802031081518E-4,-1.0391295896612002E-4,26.264320134297535,-1.3088531628387918,-0.4526277392758968,-2.794258560482462,1.709265278581263,-3.1822906406106637,-4.59200988121107,2.7792931359045148,-0.5836515585399282,48.83962481636029,-2.433868346330257,-0.8416806090801365,-5.196043112330709,3.178451773763137,-5.917605334892325,-8.539038459956286,5.168214266281528,-1.0853249959190963,0.0051449999999999925,-2.563953488371137E-4,-8.866666666662507E-5,-5.473760683760427E-4,3.348333333333366E-4,-6.233888888888743E-4,-8.995432098765475E-4,5.444444444443984E-4,-1.14333333333378E-4,0.21833584691972083,-0.010880523932875837,-0.0037627039378452585,-0.023228730315349944,0.014209158291600917,-0.026454449177045543,-0.038173474940579155,0.02310432242536698,-0.00485190770932745,1.1860037857172403,-0.0591031786902453,-0.020439067508966954,-0.12617883174053682,0.07718437335620038,-0.14370098779325582,-0.20735892173562892,0.12550304610765223,-0.026355639682597732,0.12419651056014684,-0.059068486129796864,0.011024749661113315,-0.02122232425262732,0.011746250382614003,0.009782165085195391,-0.021596435737849928,0.013850627486991063,-0.025711662075298538,-0.17469576299117365,-0.04626026177442326,-0.11337594011575075,0.09403484233549528,-0.048813286337645555,-0.16153642128393425,0.09479944874341723,-0.07619798693419874,-0.049833887043191055,-0.017233560090703745,-0.1063899063899069,0.06507936507936489,-0.12116402116402154,-0.1748383303938847,0.10582010582010634,-0.022222222222221574,-0.04983388704318957,-0.01723356009070304,-0.10638990638990614,0.06507936507936522,-0.12116402116402103,-0.17483833039388705,0.10582010582010615,-0.022222222222221786,-0.049833887043170856,-0.017233560090694888,-0.10638990638990156,0.0650793650793658,-0.1211640211640185,-0.17483833039388705,0.10582010582009703,-0.022222222222230935,-0.049833887043186545,-0.01723356009070171,-0.10638990638990599,0.06507936507936525,-0.12116402116402118,-0.1748383303938864,0.10582010582010444,-0.02222222222222369,-0.04983388704320402,-0.01723356009070945,-0.10638990638991062,0.06507936507936425,-0.12116402116402361,-0.17483833039388472,0.10582010582011235,-0.022222222222215808,-0.47560503804324455,0.08876859431388102,-0.17087697679194946,0.09457794208256308,0.07876360649003909,-0.1738892311905256,0.11152187307455289,-0.2070240295748623,1.7004709303067052,1.122961314441551,1.1764615208953837,0.8384160726842873,1.142075415984617,1.2012937206819032,0.6789923065990746,0.8795798940264443,1.5714285714285716,1.233446712018141,1.2320716320716325,0.9384920634920638,1.1887566137566141,1.112286890064668,0.6256613756613758,0.7507936507936509,1.5714285714285703,1.2334467120181396,1.232071632071631,0.9384920634920627,1.1887566137566126,1.1122868900646667,0.6256613756613753,0.7507936507936503,1.5714285714285714,1.2334467120181407,1.2320716320716338,0.9384920634920645,1.188756613756616,1.11228689006467,0.6256613756613755,0.7507936507936507,1.5714285714285736,1.2334467120181407,1.2320716320716316,0.9384920634920632,1.1887566137566143,1.1122868900646685,0.625661375661376,0.7507936507936518,1.5714285714285714,1.23344671201814,1.2320716320716312,0.9384920634920628,1.1887566137566128,1.112286890064667,0.6256613756613755,0.7507936507936511,2.094269870609983,0.7442016547839101,1.1171698500718839,0.6466227664818239,0.9502015300883143,1.3762237283494227,0.8014479359211342,1.311460258780038,95.24047036432876,47.620235182164365,66.71639477971975,95.24047036432873,6.802890740309195,47.620235182164365,-2.1316282072803006E-14,5.551115123125783E-17,3.96508223080413E-18,-52.401926850331876,81.07058609422792,5.7907561495877085,6.153448291839787,95.24047036432876,47.620235182164365,66.71639477971975,95.24047036432873,6.802890740309195,47.620235182164365,-2.1316282072803006E-14,5.551115123125783E-17,3.96508223080413E-18,-52.401926850331876,81.07058609422792,5.7907561495877085,6.153448291839787,95.24047036432876,47.620235182164365,66.71639477971975,95.24047036432873,6.802890740309195,47.620235182164365,-2.1316282072803006E-14,5.551115123125783E-17,3.96508223080413E-18,-52.401926850331876,81.07058609422792,5.7907561495877085,6.153448291839787,95.24047036432876,47.620235182164365,66.71639477971975,95.24047036432873,6.802890740309195,47.620235182164365,-2.1316282072803006E-14,5.551115123125783E-17,3.96508223080413E-18,-52.401926850331876,81.07058609422792,5.7907561495877085,6.153448291839787,95.24047036432876,47.620235182164365,66.71639477971975,95.24047036432873,6.802890740309195,47.620235182164365,-2.1316282072803006E-14,5.551115123125783E-17,3.96508223080413E-18,-52.401926850331876,81.07058609422792,5.7907561495877085,6.153448291839787,95.24047036432876,47.620235182164365,66.71639477971975,95.24047036432873,6.802890740309195,47.620235182164365,-2.1316282072803006E-14,5.551115123125783E-17,3.96508223080413E-18,-52.401926850331876,81.07058609422792,5.7907561495877085,6.153448291839787,125.43620438657962,62.49587997106759,89.54235623073774,125.05525200562725,8.932518000401945,62.49587997106759,-0.44444444444444997,7.216449660063518E-16,5.15460690004537E-17,-48.81099774988572,75.00108663909475,5.357220474221053,6.0445036427336625,0,11.89,12.110241833500586,-0.16460565877692568,0.05625790069706116,5.990531249999999,10.472384218591106,13.0,43.0,43.0,43.0,13.0,0.0,0.0,0.0,0.0,0.0,32.796209999999995,3.6671285473829083,3.394547875239401,3.2007578898814133,3.043176325916548,2.616394408201744,2.362251569539748,2.33355279310305,2.333552793103048,2.0012761955421827,1.8335828855864753,1.713566628650437,1.6343950926386517,1.3389487551470927,1.2496297225843565,1.2496297225843562,1.1655679088542734,3.688944377873125,3.4238682827809837,3.235410078709692,3.084617248869901,2.669035461297418,2.421244699175144,2.4054545878412883,2.4054545878412883,1.9507631867721833,1.769141851838642,1.6396166975764188,1.551969776413154,1.2422532694680435,1.1345406859483511,1.134540685948351,1.0593942998263988,3.785933444107736,3.553562355410772,3.3884350910996766,3.2650636833853297,2.895253429828004,2.70423698723352,2.704236987233519,2.674532110254745,1.805527075437483,1.5795607791886066,1.418988819873497,1.3005734111185236,0.9390871331591646,0.7603185604308984,0.7603185604308966,0.7234519344682322,3.705068984562131,3.4455170675069735,3.260994746782245,3.1150820450701717,2.707593120843135,2.464466499036222,2.457539916041694,2.457539916041692,1.9189047142856293,1.728081491057137,1.592203483885269,1.4986600265565857,1.1790175286264462,1.058262670532713,1.0582626705327114,0.9896999492425181,3.833880536453888,3.617025132104984,3.46291010027192,3.351314972089869,3.0012951075598546,2.83898208514965,2.8389820851496492,2.792743367523403,1.7611813147458277,1.520605808058501,1.349629547686103,1.2197123405985975,0.8389237822158659,0.6313372621875613,0.6313372621875604,0.6115669155651143,3.6495853762899637,3.470035221470696,3.3201722684846584,3.2025911872723434,2.804298674379478,2.657839583124695,2.657839583124693,2.530548751148613,1.9627666991001504,1.693828957972293,1.5182044129880279,1.3983519635842447,1.0587972927109426,0.8873175105710266,0.8578395831246945,0.8578395831246941,0,0,0,0,0,6,4,4,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1498299142610595,0.0,0.08333333333333333,0.0,1.1498299142610595,0.0,0.08333333333333333,0.0,1.4685924646452722,2.2982042011492783,2.9614072819453034,1.4685924646452722,2.2982042011492783,2.9614072819453034,11.137828201504695,6.50643771524811,5.59575411272515,3.2637293585386296,2.595897900078234,1.851139337538265,0.6071224016819728,0.2222222222222222,0.7955591572503353,0.5004952088652392,0.3497346320453219,0.20398308490866435,0.14421655000434633,0.11569620859614156,0.0758903002102466,0.05555555555555555,11.137828201504695,6.50643771524811,5.59575411272515,3.2637293585386296,2.595897900078234,1.851139337538265,0.6071224016819728,0.2222222222222222,0.7955591572503353,0.5004952088652392,0.3497346320453219,0.20398308490866435,0.14421655000434633,0.11569620859614156,0.0758903002102466,0.05555555555555555,22.127417056788083,42.31755280407869,39.88235294117645,40.400000000000006,25.978317365269493,338.681131736527,0.5028958421997292,0.9617625637290611,0.9064171122994648,0.9181818181818183,0.5904163037561249,7.697298448557432,5.131000000000006,66.47200000000007,47.620235182164365,66.71639477971975,95.24047036432873,6.802890740309195,47.620235182164365,5.551115123125783E-17,3.96508223080413E-18,-52.401926850331876,81.07058609422792,5.7907561495877085,6.153448291839787,140,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,4.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.8000000000000003,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.122106953892668,0.0,5.5657407407407415,0.0,0.0,0.0,3.645485638699924,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.351938775510204,0.0,1.3644907407407407,0.0,0.0,0.0,0.8621872637944065,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.357175925925926,0.0,1.4183796296296296,0.0,0.0,0.0,0.9605555555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.333333333333332,1.6666666666666665,0.2,2.357175925925926,0.2,0.8621872637944065,10.332768637566138,0.4711460695389268,0.357175925925926,4.244213907785337,0.4711460695389268,0.357175925925926,4.244213907785337,7.0,0.5,0.0,0.0,0.42727,0.7,0.42727,0.42727,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.42857,0.28571,0.0,6.5,0.46429,6.5,0.46429,0.0,0.0,-6.5,-0.46429,0.0,0.0,20.67539,1.47681,20.67539,0.0,0.0,6.50641,0.46474,6.50641,0.0,0.0,0.40759,0.02911,0.40759,0.02911,0.0,13.0,0,0,0,0,0,0,1.0,0.902393282794979,1.3976931442604228,2.617189572592715,3.1746742319786425,3.0271691184406184,3.1180782093497093,39.70530444297908,61.4984983474586,115.15634119407945,139.68566620706028,133.19544121138722,137.19544121138722,0.16529070163905105,0.2560144062413029,0.47938865351078047,0.581502700966343,0.5544842998136527,0.5711360498967103,4.557038335842318,4.061738474376875,2.8422420460445825,2.284757386658655,2.432262500196679,2.341353409287588,0.1663010051275171,0.2575792386556996,0.4823188124620725,0.585057009838609,0.5578734645812191,0.5746269948674652,6.68760966481471,12.631208002400033,17.23528817989597,16.797846541126553,16.649187195354934,17.74009628626402,55.45747990690045,40.50870729486701,34.040725070177615,34.20617393842372,35.02628777645228,32.3432714652116,14.0,7.3125,6.1875,14,0,8,3.0,2.0812,2.9518714961433035,7.187912901803959,7.895701509065903,0.0,2.2894284851066637,8.29291719702462,0.0,2.525064635825322,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.15699999999999997,0.14400000000000002,-0.028999999999999915,-0.020000000000000018,5.848,16.0,16.0,18.0,16.0,8.0,4.0,0.0,0.0,0.0,105.0,2.6390573296152584,2.833213344056216,2.833213344056216,2.9444389791664403,2.833213344056216,2.1972245773362196,1.6094379124341003,0.0,0.0,0.0,4.663439094112067,1.0,0.42857142857142855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.5384615384615384,13.0,1.0,1,4.0,7.0,0.75,4.0,1.333333333333334,1.0,0.9600000000000006,0.3333333333333334,0.16326530612244897,0.0,0.0,0.0,0.0,0.3076923076923077,0.08333333333333337,0.0625,0.05333333333333337,0.02083333333333334,0.02040816326530612,0.0,0.0,0.0,0.0,0.5481004709576139,47.620235182164365,66.71639477971975,95.24047036432873,6.802890740309195,47.620235182164365,5.551115123125783E-17,3.96508223080413E-18,-52.401926850331876,81.07058609422792,5.7907561495877085,6.153448291839787,0.0,250.70024346293349,4.807354922057604,4.07753744390572,4.812184355372417,5.631211781821365,6.401917196727186,7.220373836723949,8.00469951054955,8.81922185757494,9.610658925931467,10.421894366322432,91.99969927492903,3.295836866004329,0.0,4.51085950651685,0.0,5.8944028342648505,0.0,7.364547014255642,0.0,8.885579291282982,9.137447046455858,198.23475095999999,4.505335249090908,26.17199244988051,1.8694280321343222,0.0,0.0,0.0,321.0,16.0,8.062000000000001,58.0,1.236953488372093,2.1350283164977313,2.908147607450814,3.5237396484683936,4.194997531652818,4.991341601845129,5.67827224545108,6.564880757788356,8.303684114269736,0.0,75.82653488369762,83.14832004070611,85.05093394983564,94.66791270004452,110.29951574385699,76.1804232398675,55.21189181625579,36.43106635771122,8.437074495881369,0.0,284.09922693829316,351.2189140188912,400.82234920768474,437.0524499718619,544.9482812591583,487.86027115159436,400.46316512692334,428.5282046353588,258.10959484313605,0.0,8.998893227069773,15.205696009231977,20.54807412993313,24.688031224223064,29.573858731938927,34.81083605655258,38.9905068018294,45.177009103725204,55.78800278909312,0.0,2.148806409555813,2.8510562649359805,3.4190654994986134,3.770944648115516,4.735655013817431,4.644804434877653,4.1436811895921695,4.713785359669328,3.691925114993963,0.0,177.28286800836372,329.66089554758315,460.6360133532845,574.6836601023992,669.1359991153288,823.4717183132112,984.5977574697224,1128.646008522468,1535.4977695618154,0.0,2.4587648578811367,3.469892939009477,4.541755348895515,5.116476830428905,6.744756446737871,7.652853668734439,7.585097127073506,9.248197226622057,8.303684114269736,0.0,0.44536133720930215,0.5993484380144023,0.7251998997761524,0.8026870594503936,1.0076472627851962,1.0035126495881446,0.9097056358755948,1.0414681357090443,0.8502972533012211,0.0,427.7519253299277,319.79936542901817,10.29672420280135,107.20845282500196,-80.15205344924645,-6.560959593758329,320.5434725049257,399.95141887826463,16.85768379655968,0.7995955266915985,0.5978000960220669,0.01924763893414798,0.20040447330840147,-0.14982801852669853,-0.012264384170631441,228.83033173099736,171.07998946361408,5.508339473287627,57.352274464667985,-42.87817282310302,-3.5098534253361695,0.040296431468434944,0.08683809234350146,0.18096223920890317,0.35775325783549666,534.9603781549297,0.0,1.0,0.0,807.0603988999492,28.408808473780613,9.310407275927387,1097.6714813535782,33.13112556726044,10.315512119527842,1722.1066252173655,41.49827255702779,11.986342390449472,1.965723252042618,1.965723252042618,1599.5930137408961,1445.3463157633373,415.8794961835217,1.1067195427803722,3.8462896786693674,3.4753969095065136,5.593558162177879,5.6454556919422,10.065582814166165,0.7829531154646816,8.367016911223406,13.65046980858371,8.039812208419665,44.098998451140886,23.94037421436788,27.71326069691879,20.711871124854603,45.21742320451847,27.224829013271144,30.777094722583357,17.4179887206966,25.618531552698816,9.763890008827167,11.851558850788424,3.4393329582556094,5.28404074463513,1.8769610076644974,1.7074225105084906,2.0081398576126404,1.273792687859013E-8,2.405680934114316E-38,8.763008205713223E-90,6.15664787726622E-163,8.342790099354308E-258,0.0,0.0,0.0,0.0,0.0,0.0,0.7021857265972852,12.339477114870748,0.5679030863360405,19.049147549524,3.1726383711842745,5.509115308998972,1.8988223111856815,4.317421352465807,6.251736453530199,2.9518535632483047,0.45876171262733256,2.719193916387158,0.26857309888292996,2.7270789859157687,0.17035773041121677,0.2170963297880946,0.015034674106536165,0.06084838640851753,0.014143493213294039,8.97142605261346E-11,1.6943407520154841E-40,6.171858330270352E-92,4.336177439965565E-165,5.875895282036436E-260,0.0,0.0,0.0,0.0,0.0,0.0,2.266741137771726,12.427088372273925,1.9036488686881903,22.811644194174722,4.636993971218896,8.360554651249203,4.40180133565168,9.7273910185426,9.470638133907038,6.34763414754023,2.1398711981385152,5.226561910930106,1.1969403900344853,4.002247442058946,0.6278734901952125,0.846654134333548,0.1394530479674441,0.2507505475800675,0.1473861039731097,9.34891764740767E-10,1.765633697958769E-39,6.431552232920199E-91,4.518631213482034E-164,6.123135917789497E-259,0.0,0.0,0.0,0.0,0.0,0.0,7.897781423561837,13.506537169204824,7.515373168735593,42.08762737781524,21.687362339372704,25.75929205028434,19.08710496227979,41.67397765556775,25.565116541637387,28.26566954406806,15.749828978663874,23.450081911148462,8.825349348501515,11.08518598048183,3.1650054069794926,4.830671782352468,1.6725380761827138,1.5549001578729393,1.7892164595016644,1.1349263521016357E-8,2.143418401517005E-38,7.807682546100146E-90,5.485462417172714E-163,7.433275778748874E-258,0.0,0.0,0.0,0.0,0.0,0.0,3.340759391540749,12.540673600038827,2.8768422101584807,25.79553453080988,6.466118409367056,10.817072404637587,6.517050030870932,14.313694586167054,11.995688628703832,9.356881417392072,3.822606154615189,7.591181480280124,2.1340746611280994,5.0520017618250135,1.004223360578405,1.3989936684582929,0.3007673131722651,0.4245218545386867,0.3201423125376361,2.0307098394507202E-9,3.835192327643233E-39,1.3970190876538346E-90,9.815070805133794E-164,1.3300269427442345E-258,0.0,0.0,0.0,0.0,0.0,0.0,10.104384733742236,14.255685320591379,10.057663417190698,52.088748406530826,33.3968256614139,35.6231038608697,27.264755748174743,59.51756846850383,33.796638576969,40.99317673884788,24.309669353586973,34.517705621085106,13.644507550054142,14.92500980899773,4.539296599673892,7.1252255635238475,2.7365316866498284,2.3308686075056304,2.9286832541856804,1.857706922202059E-8,3.508459552727724E-38,1.2780023906738514E-89,8.978892317541687E-163,1.2167175291372618E-257,0.0,0.0,0.0,0.0,0.0,0.0,5.354890736906076,10.870602291214905,4.165631086105289,29.71820079611467,10.125489384911864,15.888452198268439,10.26831010666111,22.836126184389155,16.644806797229233,16.392460995134247,7.596346540722874,13.129732016567763,3.9546510568931743,7.321297740640916,1.6248772584403317,2.737288585834425,0.6776822072619538,0.8432911957766631,0.7229303487405507,4.585653676292448E-9,8.660451362811537E-39,3.154682954056761E-90,2.2163932358158398E-163,3.003404435767551E-258,0.0,0.0,0.0,0.0,0.0,0.0,7.594281100042549,2.0561197237213484,1.1984431229755723,0.7000083269079511,0.189524315569061,0.49098375491825086,0.37529828386701924,0.47771734757660583,10.84884394673947,27.180207658479382,56.74244274663802,0.5500124903619267,1.343999386361876,6.6319869840480195,1.4378957800810666,0.6598216605836269,0.7597034975518396,0.16471299715607338,0.37535248444877006,0.18569946925608097,0.14597214817781579,8.729704424712715,14.860789544058049,29.88262332979883,0.6395552463277596,0.7070241018826668,7.022369792533926,1.6886411136888286,0.8788349605130931,0.7322713931088626,0.17608636647083065,0.42038187415890105,0.25470109505868893,0.2582283259785414,9.589845866735846,19.513803272998675,39.52510466138929,0.5984070896632938,0.9333112951961313,7.571267484760196,2.0413300728967148,1.1856083808478586,0.7011597600451572,0.18904344708018953,0.4880362383598402,0.36999629278618584,0.46764586713182016,10.79820593850477,26.85223223266175,55.97455634240033,0.5517396400677359,1.3256783982778462,7.192851988449971,1.7981691557515636,0.9742546849274039,0.7217915601919366,0.18044349063529544,0.4408510266756689,0.2882199997390554,0.31689098364665924,9.965275829128938,21.69350905953673,44.25976048273928,0.5826873402879049,1.0459620100613836,7.666074186086216,2.1022584298519034,1.2384689456781877,0.6964851817461568,0.190996305155809,0.500236246799847,0.3920809629401678,0.5097954939601124,11.006801561616307,28.21384567746455,59.17989832300947,0.5447277726192352,1.4021127037001273,7.595157039834318,2.0482996610250255,1.1894616166185192,0.7011182783110502,0.18908105839959052,0.4910863697744765,0.37238250620427665,0.4705041330328282,10.832918317477862,27.027679187319315,56.36523932193569,0.5516774174665753,1.3339730090115813 +UMLCN0021,L,2-methylfuran,CC1=CC=CO1,Cyclic Ethers,Aromatics,C5H6O,NREL (2014),IQT,PubChem,,9,0,0.2532,0.06411023999999999,26.558200000000003,13.602758000000001,5,5,12,6,6,0,5,0,1,0,0,0.0,0.0,0.0,0.0,0.0,983.38499,1034.02699,1269.5803389999994,468.0520339999997,100.92096000000001,6.0963840000000005,0.0,0.0,0.0,2520.4777522965883,2987.9463093720738,3695.4139081071908,2237.1623764520036,1042.22790868787,186.50246658558157,0.0,0.0,0.0,91.36507999999998,92.935624,146.83133200000003,132.81485600000005,83.81491199999999,40.310784,0.0,0.0,0.0,17.255381429093998,20.515545860000003,25.950581180547,18.049220219697993,10.686806099396001,2.6676774290939997,0.0,0.0,0.0,1928.9289783979943,1732.5993674674005,2932.1250240770974,2774.325781412448,1964.6509898001962,1109.505912145494,0.0,0.0,0.0,37.02777777777778,39.5,56.83333333333334,42.83333333333333,20.0,6.0,0.0,0.0,0.0,81.94874916666667,86.16891583333334,66.82001784210523,27.532472588235276,8.41008,1.016064,0.0,0.0,0.0,210.03981269138237,248.99552578100614,194.49546884774688,131.59778685011787,86.85232572398917,31.083744430930263,0.0,0.0,0.0,7.6137566666666645,7.744635333333334,7.727964842105265,7.812638588235297,6.984576,6.718464,0.0,0.0,0.0,1.4379484524244999,1.7096288216666669,1.3658200621340526,1.0617188364528232,0.8905671749496668,0.44461290484899996,0.0,0.0,0.0,160.7440815331662,144.38328062228337,154.32236968826828,163.19563420073223,163.720915816683,184.917652024249,0.0,0.0,0.0,3.0856481481481484,3.2916666666666665,2.9912280701754392,2.519607843137255,1.6666666666666667,1.0,0.0,0.0,0.0,0.13076113031887462,-0.03813205813493804,0.005446471127490808,-0.05619803041847839,0.009716717142789811,0.013786335123698496,0.0,0.0,0.0,421.6567896666666,20.614636666666865,56.3168936944446,-386.84758436111105,-105.11400900000015,204.20166816666642,0.0,0.0,0.0,618.8957780710854,-46.9029298443984,-9.365336219576818,-296.6624024043866,-251.61149520187124,295.09427463469075,0.0,0.0,0.0,0.9667386666666663,0.001210666666667352,-0.06688755555555453,-0.6491351111111093,0.0915999999999981,0.13984266666666514,0.0,0.0,0.0,2.8391278452136675,-0.49817717133333367,-0.4806476016766388,-0.31247622868802793,-1.2339001768489992,1.105637255940167,0.0,0.0,0.0,15.983717714388652,-3.219627084333335,-3.4279607584745557,-0.1786366095484393,-6.841249485990659,5.675615081152664,0.0,0.0,0.0,6.414351851851855,-0.16435185185185236,1.4851466049382704,-6.1703317901234565,-0.49768518518518484,2.140046296296297,0.0,0.0,0.0,0.01089676085990622,-0.003177671511244837,2.866563751310952E-4,-0.003305766495204611,8.097264285658176E-4,0.002297722520616416,0.0,0.0,0.0,35.13806580555555,1.7178863888889053,2.964047036549716,-22.755740256535944,-8.759500750000013,34.03361136111107,0.0,0.0,0.0,51.57464817259045,-3.9085774870332,-0.49291243260930623,-17.450729553199213,-20.967624600155936,49.18237910578179,0.0,0.0,0.0,0.08056155555555553,1.00888888888946E-4,-0.0035203976608186595,-0.03818441830065349,0.007633333333333175,0.02330711111111086,0.0,0.0,0.0,0.23659398710113896,-0.0415147642777778,-0.025297242193507305,-0.018380954628707525,-0.1028250147374166,0.18427287599002784,0.0,0.0,0.0,1.3319764761990542,-0.26830225702777794,-0.18041898728813452,-0.010508035855790547,-0.5701041238325549,0.9459358468587773,0.0,0.0,0.0,0.5345293209876546,-0.01369598765432103,0.07816561078622476,-0.36296069353667393,-0.041473765432098735,0.3566743827160495,0.0,0.0,0.0,-0.2916161556721714,0.026306567503543637,-0.30337148237949507,0.07430891059976756,0.21086289312548895,0.0,0.0,0.0,0.048889611579510925,0.08435430262302832,-0.647609358536124,-0.24928807403551168,0.9685681491247632,0.0,0.0,0.0,-0.07578485991709448,-0.009557262144761785,-0.3383586737189508,-0.4065490573971431,0.9536154069572492,0.0,0.0,0.0,0.0012523205168173878,-0.0436982334382928,-0.47397816535855475,0.09475156333183267,0.28930810670653195,0.0,0.0,0.0,-0.1754683827194269,-0.1069225913281273,-0.0776898637785332,-0.4346053591525176,0.778856970322137,0.0,0.0,0.0,-0.20143167827813957,-0.1354520823092766,-0.007889055132397245,-0.42801365791339774,0.710174589237576,0.0,0.0,0.0,-0.025622518946228863,0.14623259701038938,-0.6790285944764044,-0.07758931793576317,0.6672681342475639,0.0,0.0,0.0,1.146692212253945,1.0635988466337973,1.7592222436856397,0.1272509897570945,0.09958755786158359,0.0,0.0,0.0,0.8241544591073343,0.8519448424412276,1.605289630236204,1.0527725641927668,0.0,0.0,0.0,0.0,1.0513536554857548,0.929751752597037,1.1595990108592673,1.3337741375183065,0.0,0.0,0.0,0.0,0.8492239888339352,1.135140605861226,1.9507196543089123,0.08995054161483139,0.0,0.0,0.0,0.0,1.2180872572651447,1.0532276248479164,0.927902896870348,1.2997732328259943,0.0,0.0,0.0,0.0,1.2593907475233665,1.0941052709479404,0.8852933029855027,1.254110394246266,0.0,0.0,0.0,0.0,0.8455431252255499,0.8574521833273183,1.9236631498503396,0.5716347888848788,0.0,0.0,0.0,0.0,11.9344318980014,6.092215949000703,8.987429639531003,12.10109856466807,2.016849760778012,6.099737299660555,0.2500000000000062,0.20738952380248243,0.034564920633747075,-0.9438938979027114,31.08972269121037,5.181620448535061,2.0621263826889136,11.93772564921964,6.093495614159167,8.989344451167705,12.103902701952101,2.017317116992017,6.101005267575444,0.24926557909869462,0.20735418249004767,0.03455903041500794,-0.9439961527998466,31.080082314021183,5.18001371900353,2.061940304371332,14.956678929519528,7.278842225730751,10.940207313756128,14.690682610814177,2.448447101802363,7.280860386032441,-0.398994478058027,0.13483260699512656,0.022472101165854425,-1.2022327308598553,33.053274814027915,5.508879135671319,2.0988723888278176,11.94118281606185,6.094838808140393,8.991354925939715,12.106846016207808,2.017807669367968,6.1023362062654725,0.24849480021893644,0.2073168747816646,0.03455281246361077,-0.9441041160863971,31.069994980891263,5.1783324968152105,2.061745537117789,18.441760903019436,8.619548517428601,13.359852927090586,18.08099614823972,3.0134993580399527,8.620092174288985,-1.0822942643391489,0.051027988814458,0.008504664802409667,-1.7852285979060742,39.89819985931224,6.64969997655204,2.2117987239420502,12.280926507762867,6.227030346820583,9.192134054066491,12.396349298348401,2.0660582163914,6.233427309903161,0.17313418587829776,0.20267169572446297,0.03377861595407716,-0.9577007229372221,30.22958778494616,5.03826463082436,2.0452927036433746,11.909055513619181,6.124177416912128,9.152395271359524,12.108037373506797,2.0180062289177996,6.131945726347019,0.4209523809523823,0.2724401209022276,0.04540668681703793,-0.7802018573001039,31.271983469965793,5.211997244994299,2.065633559940928,0,11.993966089972853,16.000539937873267,-0.37551424958391194,0.09942502493222523,5.210491676091478,6.385509445791908,6.0,12.0,10.0,7.0,1.0,2.0,0.0,0.0,0.0,5.0,8.475242,3.78353253805212,2.6888480195586455,2.1827251452546705,1.760319801416624,0.6255281008393607,0.08392307051869144,0.08392307051869113,0.028525283024246933,1.6677990554711883,1.4815075422220303,0.973790137444069,0.27866089749260675,0.028525283024246933,0.08392307051869113,0.08392307051869144,0.6255281008393607,3.7002905681652147,2.7311339868194566,2.0783919880173225,1.7101449530134598,0.7354075887065958,0.2709139018929373,0.27091390189293724,0.05785796454316901,1.6394726075780421,1.5020662043266877,0.9518291727167536,0.12140435265514095,0.05785796454316901,0.27091390189293724,0.2709139018929373,0.7354075887065958,3.8371378292075096,2.926569425006245,2.3460259767684306,2.029465299100887,1.2925398449783103,0.9439184268026218,0.9439184268026211,0.598599223060526,1.4837565658115213,1.2871034281202478,0.5887783568615003,0.43563724211054494,0.598599223060526,0.9439184268026211,0.9439184268026218,1.2925398449783103,3.6822687299260024,2.762874299838606,2.0804192209522063,1.6949356976361007,0.8212397561903229,0.39927724550898247,0.39927724550898214,0.11227017692801926,1.637418116344337,1.5058623816780317,0.9157961787577433,0.01758270169713833,0.11227017692801926,0.39927724550898214,0.39927724550898247,0.8212397561903229,3.8414480469909655,3.0230978646183524,2.407117466288629,2.107327062980709,1.4996482381292273,1.2076448229620886,1.2076448229620873,0.7455382168401342,1.4507660796547643,1.2702210586644276,0.49421485088594636,0.6309904584006862,0.7455382168401342,1.2076448229620873,1.2076448229620886,1.4996482381292273,3.899891827028239,2.804858891490988,2.4126174156272344,1.9286617225677736,0.977414788093054,0.5172413793103451,0.5172413793103444,0.34887134120633695,1.5627571031782705,1.3046592543118618,0.7235003135146746,0.09791102981876586,0.34887134120633695,0.5172413793103444,0.5172413793103451,0.977414788093054,0,0,1,3,0,1,0,0,0,0.0,0.0,0.14433756729740646,0.14433756729740646,0.0,0.0,0.0,0.039283710065919304,0.039283710065919304,0.0,0.2886751345948129,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.0,0.13608276348795434,0.11785113019775792,0.0,4.405777393935816,2.893846850117352,2.3896287658987125,1.643846850117352,1.1299361269508954,0.2886751345948129,0.0,0.0,0.734296232322636,0.482307808352892,0.3413755379855304,0.23483526430247886,0.16141944670727076,0.14433756729740646,0.0,0.0,3.6402990980327403,1.8951682068889268,1.2237010601067566,0.6634344070931323,0.3606849769385113,0.07856742013183861,0.0,0.0,0.6067165163387901,0.31586136781482116,0.1748144371581081,0.09477634387044746,0.05152642527693019,0.039283710065919304,0.0,0.0,7.3402825157744775,11.994173343044427,11.525490196078435,11.680000000000003,7.875902994011974,90.72467544910181,0.6116902096478731,0.9995144452537023,0.9604575163398695,0.9733333333333336,0.6563252495009978,7.560389620758484,1.28842,24.77699999999999,18.09925825304857,25.291618651911577,36.19851650609714,6.033086084349524,18.099258274357467,0.06483357154617181,0.010805595257695302,-1.6415590382186902,30.976184639674084,5.16269743994568,2.0599312030858092,29,0.0,0.0,1.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.833333333333333,6.416666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6451388888888887,0.0,0.0,0.0,0.0,1.6451388888888887,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9166666666666667,0.0,0.0,0.0,0.0,5.449074074074074,0.0,0.0,0.0,0.0,0.9675925925925928,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.833333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.833333333333333,0.9675925925925928,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5055555555555555,0.0,0.0,0.0,0.0,0.5055555555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9166666666666667,0.0,0.0,0.0,0.0,1.662037037037037,0.0,0.0,0.0,0.0,0.9675925925925928,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.833333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.833333333333333,1.9166666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.621875,0.0,0.0,0.0,0.0,0.621875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9166666666666667,0.0,0.0,0.0,0.0,1.9166666666666667,0.0,0.0,0.0,0.0,0.9675925925925928,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.833333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.166666666666668,2.1944444444444446,0.621875,4.833333333333333,0.3472222222222223,0.9675925925925928,2.6507916666666667,0.699074074074074,1.3333333333333333,2.6666666666666665,0.699074074074074,1.3333333333333333,2.6666666666666665,2.83333,0.47222,0.0,0.02778,0.56389,0.82778,0.43333,0.49792,0.82778,0.13056,0.06597,-0.06458,0.0,0.57047,0.14382,0.0,0.17647,0.17647,0.0,8.5,1.41667,3.5,0.58333,5.0,0.83333,1.5,0.25,0.0,0.0,2.05222,0.34204,5.2306,3.17838,0.52973,1.07475,0.17913,2.89384,1.81909,0.30318,0.02016,0.00336,0.10616,0.01769,0.4166666666666667,6.01,0,1,1,1,0,0,0.2,1.3250112108241772,2.625814583693911,3.0220552088742005,3.188721875540867,3.188721875540867,3.188721875540867,15.900134529890126,31.509775004326933,36.26466250649041,38.2646625064904,38.2646625064904,38.2646625064904,0.36960253016806616,0.7324524547092747,0.8429809818837098,0.8894714728255648,0.8894714728255648,0.8894714728255648,2.2599512898969794,0.9591479170272454,0.562907291846956,0.39624062518028946,0.39624062518028946,0.39624062518028946,0.34344679574564957,0.6806188488253772,0.7833255821350332,0.8265260714264937,0.8265260714264937,0.8265260714264937,11.597515304747017,21.711068295183832,23.942438677269188,24.110409515935856,24.110409515935853,24.110409515935853,21.177905073403192,15.93734375300482,14.012782294250812,13.748621877463954,13.748621877463954,13.748621877463952,4.166666666666667,1.6326530612244898,0.9795918367346939,0,5,0,1.8999999999999997,0.6772000000000002,0.0,1.1447142425533319,1.0,0.0,2.381101577952299,1.8898815748423097,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.15799999999999997,0.16,0.45300000000000007,0.403,2.5389999999999997,7.0,7.0,7.0,2.0,0.0,0.0,0.0,0.0,0.0,35.0,2.2512917986064953,2.7245795030534206,3.107944264160919,3.498399709618518,2.409194828052304,0.0,0.0,0.0,0.0,0.0,4.535954075299409,2.6375,0.3333333333333333,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.16666666666666666,0,2.0,3.0,0.5,1.0,0.44444444444444464,0.2222222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.16666666666666666,0.06349206349206352,0.1111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3412698412698413,8.821870029750563,12.988302897090314,17.643740059501127,2.940623343250188,8.822274636871272,0.053128175458597854,0.008854695909766308,-1.7610287281113595,43.830782490388344,7.305130415064724,2.268201820272443,13.14,75.29723242829458,3.584962500721156,3.295836866004329,4.007333185232471,4.762173934797756,5.493061443340548,6.251903883165888,6.98933526597456,7.747164966520335,8.487764380725425,9.243871855184976,68.27844578094629,2.5649493574615367,0.0,3.713572066704308,2.3978952727983707,5.017279836814924,4.442651256490317,6.385194398997726,6.22455842927536,7.7886260656250315,8.24564690087386,82.041864812,6.836822067666667,11.57549816824563,1.929249694707605,2.8911110363834682,2.8911110363834682,0.0,26.0,2.0,0.9450000000000001,26.0,1.3703818548913398,2.371901410665422,3.2861965265660777,4.1341346247199295,5.246076717480393,0.0,0.0,0.0,0.0,0.0,138.7523036561934,171.19510775805546,100.42539903440205,37.271950219795094,5.330349693869999,0.0,0.0,0.0,0.0,0.0,373.65154053595614,484.8812011166985,458.45847752356167,377.94194690015775,163.0677079512141,0.0,0.0,0.0,0.0,0.0,10.838706522313688,18.589496675111917,25.70947856246651,28.965280609631876,35.2455775676302,0.0,0.0,0.0,0.0,0.0,2.4646942172929895,3.3377910120597662,3.6416469283452146,3.83272069729396,2.332473408419664,0.0,0.0,0.0,0.0,0.0,196.20220492314164,363.73551466546496,532.8387351979138,669.6672826914811,970.0921889355537,0.0,0.0,0.0,0.0,0.0,4.969348636543205,7.513698830388858,8.448927893246733,7.115951710001114,5.246076717480393,0.0,0.0,0.0,0.0,0.0,0.5678713885981194,0.7948854485981381,0.8555213645277011,0.8336334165060116,0.5371982558699923,0.0,0.0,0.0,0.0,0.0,228.86253771983223,93.79169286709178,11.52110857581322,80.88144823899083,-33.146569235213185,-11.861930537239905,147.9810894808414,126.93826210230498,23.383039113053123,0.738876453117824,0.3028039191035668,0.037195584411911134,0.2611235468821761,-0.1070127935901866,-0.03829591880701379,70.88879466999232,29.05141279847872,3.5685940929367654,25.052542167667248,-10.26695047577503,-3.6741616457713713,0.21857725774904954,0.7860245699321441,6.706667408607113,25.16083817222445,277.7337420876976,32.010243871125475,0.8966558018163399,0.10334419818366021,393.8796370524002,19.846401110841235,7.330290335361025,452.6387904239427,21.275309408418547,7.678043881288667,589.1615694751193,24.272650647902452,8.383231710916847,2.452849609361402,2.452849609361402,233.1792849162686,162.05822655820725,84.27027026101408,1.438861141878018,2.767040905339831,1.9230770953535221,3.3569229710683786,3.5761176466360647,5.700263738705284,0.5939810436794027,1.9184111197772498,1.8113141741671412,2.986467768176052,4.65698335677375,2.320014262140871,3.597601998981425,1.6395350913163258,3.211944976218947,0.6893652176232673,0.1336734944341078,1.3122935473709976E-4,1.6736093744613177E-28,4.305380718107611E-74,2.1370729697156897E-141,2.0459950282178456E-230,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1610290163526796,1.990877971844068,1.1661273212815735,4.217549815017166,1.4481578619684368,0.17266526355855472,0.999601856062546,0.16468100323655888,0.048766236204015954,9.414744361184306E-4,9.242590754190126E-7,1.1787367667478905E-30,3.032314842831429E-76,1.50515796640885E-143,1.4410110275105321E-232,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5197481592524664,1.6569659836386172,1.4314459139505593,3.5492505943309327,1.057148059650497,0.5518379553035331,1.077861531023827,0.6007156615296793,0.16341130825623593,0.009810880986252346,9.63149217335894E-6,1.2283345920337169E-29,3.1599058589336173E-75,1.5684906492872171E-142,1.5016445932001842E-231,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8108254525893095,1.9901933425535234,2.914956440549235,5.049426981551844,2.638058140964325,3.4817085027149917,1.7638166268250663,2.959601206040856,0.6444473114464303,0.11910067769142135,1.1692299247749548E-4,1.4911558217475943E-28,3.836016707729303E-74,1.9040935411327225E-141,1.8229447349837306E-230,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.765997608688087,1.5300765550411917,1.6491210686887179,3.350358410340505,0.9664224280801383,0.8546492964960943,1.100992383099283,0.9552601695564975,0.24689638485123472,0.021310541827225447,2.0920888024354334E-5,2.668106872106437E-29,6.863737773167552E-75,3.406971282367857E-142,3.2617727161337727E-231,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3167524478531725,1.9246182382461987,3.4802165988992084,5.163800586763618,2.8532805064681024,4.974776824967641,1.921066673875741,4.220962804388847,0.8621489451969877,0.19495022524802524,1.9138568074289546E-4,2.4408019842104545E-28,6.278993150908271E-74,3.1167200808513074E-141,2.983891462824897E-230,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.026510043772102,2.0180871972265684,2.107933854766539,5.372263825267661,2.6579448166907005,1.6198445122517149,1.5835009673611875,1.3536779062521695,0.33723992572777717,0.03576282927822015,3.510892368115034E-5,4.477551834171182E-29,1.1518557212535223E-74,5.7174960545306785E-142,5.473827364435376E-231,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.3192357438671176,1.3367617228986115,0.19970761664689335,0.6835744113055433,0.27529714015479834,0.6064087628687918,0.5691292043522339,0.33171396401654263,4.855705083412623,5.366865448880219,11.108678677711168,0.5253616169583151,1.5072519312375685,1.9444743044505794,1.0390991553934033,0.0901062287084503,0.6326209955098935,0.33806357873379217,0.2063122539218732,0.36315720526612877,0.05050013358664971,3.073679688552433,2.2893401599799366,5.545079628478039,0.45602686136552845,0.6199695927746517,2.5483097531445127,1.018886805126865,0.12108552305163543,0.6909205144717174,0.2762496963793461,0.3559869093626116,0.33303963054675023,0.11804660548890582,3.688282081323013,3.0283750439413257,7.0310483217921025,0.5363807717075761,0.8070731453982676,3.1853499779859638,1.3527225506431027,0.20245869933601277,0.6719394567417093,0.2853525239245755,0.5584021279786652,0.5839653827927407,0.33595143386630183,4.7405312279650795,5.227667008550855,10.84057146255154,0.5079091851125641,1.4783189446377076,2.8471521383757197,1.0535055842149021,0.13264195552323432,0.7059113791681282,0.26120191116261576,0.44497090217992663,0.3538937161263399,0.147167157190694,4.033299678113856,3.516881545039446,7.9480395321094655,0.5588670687521923,0.9460317754969605,3.407466218990998,1.396299320303407,0.21380946621987393,0.6791061848096376,0.2782817035657433,0.6394040287392972,0.6207718507713543,0.3795768590775396,5.017575005514279,5.784933311335913,11.819780138907095,0.5186592772144564,1.6397527385881911,3.2476008039630204,1.332151490356019,0.1981871873628423,0.6797073961304828,0.27881296853242865,0.5803974961503087,0.5655553231204586,0.3253343621307774,4.777939481681882,5.233944477110357,10.86930044449234,0.5195610941957242,1.4712871814015447 +UMLCN0022,L,bisabolene,CC1=CCC(=C(C)CCC=C(C)C)CC1,Cycloalkenes,Olefins,C15H24,NREL (2014),IQT,PubChem,,32.2,0,3.9529999999999985,15.626208999999989,71.8864,42.403031999999975,0,0,39,15,24,0,15,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2188.347350999997,2454.5319270000014,3194.146555000003,3166.893929000005,2616.255109000002,2152.3026109999946,1988.7284029999955,1648.5571279999979,1253.268581999996,7098.763392582267,9106.432319132393,12705.76297790177,14227.51601239987,13341.625760606756,11218.313494936541,9281.966698733551,8288.43731312468,6987.478084754495,274.35087600000014,283.9309080000001,513.7184440000002,621.632996000001,766.1509960000021,758.1202040000015,551.7762679999998,412.2140480000002,493.51912799999957,52.50420971637604,68.55856343999999,100.63511454243283,117.3322248381878,117.73656036426168,102.34508369154369,80.97951968426185,71.29910144848998,65.0322495645641,6339.938989931978,5576.856486459601,11065.104567786637,13255.623645169178,17556.305173439643,18181.27343428973,13015.285125298466,8988.433277478494,11858.355493087067,70.36111111111111,86.27777777777779,133.58333333333337,163.0277777777778,173.30555555555554,160.86111111111111,124.99999999999999,108.16666666666667,105.94444444444443,56.11147053846147,62.93671607692311,44.36314659722226,36.401079643678216,24.002340449541304,19.74589551376142,25.1737772531645,28.423398758620653,17.65167016901403,182.01957416877607,233.4982645931383,176.4689302486357,163.5346668091939,122.4002363358418,102.92030729299579,117.49324935105761,142.90409160559793,98.41518429231684,7.03463784615385,7.280279692307695,7.134978388888892,7.1452068505747235,7.028908220183506,6.955231229357812,6.984509721518985,7.107138758620693,6.9509736338028105,1.3462617875993856,1.7579118830769227,1.397709924200456,1.3486462625079056,1.0801519299473548,0.9389457219407679,1.025057211193188,1.2292948525601721,0.9159471769656915,162.56253820338404,142.9963201656308,153.68200788592551,152.36349017435836,161.06701993981324,166.80067370908012,164.75044462403122,154.97298754273265,167.0190914519305,1.8041310541310542,2.2122507122507122,1.8553240740740746,1.8738825031928483,1.589959225280326,1.47579001019368,1.582278481012658,1.8649425287356323,1.4921752738654146,0.07267329313288454,0.011450034140491169,-0.015645292109170518,-0.05860221069035411,0.006109199428225031,0.0242017443568307,0.008719292502182917,-0.03423631009278499,0.014175681634930295,1117.5323907692316,-1.3002932064409833E-12,143.98975034911132,-667.6539667929,-385.4054014319511,303.7395728757413,325.2305803905331,-600.3154765798815,88.82949772781154,2078.099200977439,7.105427357601002E-14,267.75508935670837,-1241.5310610967795,-716.6778013627352,564.8167059066877,604.7801520793319,-1116.3122630891644,165.18224418025733,0.2189169230769231,3.2873009869760494E-15,0.02820660355029838,-0.13078882840236314,-0.07549827218934875,0.05950049704141739,0.06371043786982124,-0.11759768047337095,0.017401088757394562,9.290070321683077,1.837419105754634E-14,1.19698982990918,-5.550221499877312,-3.2038832263240433,2.5249934720471745,2.7036486705410914,-4.990435211263084,0.7384414871081283,50.46380943183688,-5.946354519892338E-13,6.502067753716987,-30.148891275944173,-17.403544534825784,13.715804614807439,14.686262488496327,-27.10812327171776,4.011225877915578,5.830484330484334,-0.9779202279202289,1.4546898969975879,-4.9530462415077805,-0.5077069179633277,1.626196215939807,2.738677039959092,-4.2493242749653,1.5322521732778154,0.001863417772638065,2.9359061898695304E-4,-2.172957237384794E-4,-6.735886286247599E-4,5.604770117637643E-5,2.2203435189752937E-4,1.1037079116687236E-4,-5.902812084962928E-4,1.9965748781591963E-4,28.654676686390555,-3.33408514472047E-14,1.9998576437376572,-7.674183526355172,-3.535829370935331,2.7866015860159754,4.1168427897535835,-10.350266837584165,1.2511196863072047,53.28459489685741,1.8219044506669234E-15,3.7188206855098382,-14.27047196662965,-6.575025700575552,5.181804641345759,7.655444963029518,-19.24676315670973,2.326510481412075,0.005613254437869823,8.428976889682178E-17,3.9175838264303306E-4,-0.0015033198666938293,-6.926446989848509E-4,5.458761196460311E-4,8.064612388584966E-4,-0.0020275462150581196,2.450857571464023E-4,0.2382069313252071,4.711331040396498E-16,0.01662485874873861,-0.06379564942387715,-0.029393424094715993,0.023165077725203435,0.03422340089292521,-0.08604198640108765,0.010400584325466596,1.293943831585561,-1.5247062871518818E-14,0.0903064965794026,-0.34653898018326634,-0.15966554619106224,0.1258330698606187,0.1859020568164092,-0.4673814357192717,0.05649613912557152,0.14949959821754705,-0.02507487763898023,0.020204026347188722,-0.056931565994342306,-0.004657861632691079,0.014919231338897311,0.03466679797416572,-0.07326421163733275,0.021581016525039652,0.15755490974593042,-0.1166113830882116,-0.36148019972523476,0.03007790416049803,0.11915435988527276,0.059230298641307355,-0.31677341343622795,0.10714585357488669,-1.16353961386833E-15,0.06979166666666607,-0.267816091954023,-0.12339449541284343,0.09724770642201881,0.1436708860759495,-0.3612068965517238,0.043661971830986315,3.419195462015936E-17,0.06979166666666663,-0.2678160919540234,-0.12339449541284456,0.0972477064220182,0.14367088607594944,-0.3612068965517246,0.04366197183098574,1.5016203136661832E-14,0.0697916666666729,-0.26781609195401535,-0.12339449541284343,0.09724770642201389,0.14367088607594655,-0.36120689655171845,0.04366197183098118,1.9778312134689525E-15,0.06979166666666749,-0.26781609195402234,-0.12339449541284433,0.09724770642201755,0.14367088607594888,-0.3612068965517238,0.04366197183098511,-1.178340396185166E-14,0.06979166666666177,-0.26781609195402833,-0.12339449541284396,0.09724770642202185,0.14367088607595144,-0.36120689655172755,0.043661971830989604,-0.1677253848033228,0.13514435214594,-0.38081417390498473,-0.031156348834550762,0.09979445775624976,0.23188555947635192,-0.4900629333513058,0.14435501354080996,1.0357639292640017,1.3745386124522454,1.5807692503707156,0.7868441259745521,0.7006219873511277,1.0466976936932615,1.4486616525245257,0.6063639613626912,1.2666666666666666,1.0291666666666666,1.3722222222222222,1.0952599388379207,0.7931192660550459,0.7816455696202531,1.4195402298850575,0.8407276995305163,1.2666666666666666,1.0291666666666663,1.372222222222222,1.09525993883792,0.7931192660550457,0.7816455696202531,1.4195402298850572,0.8407276995305163,1.2666666666666648,1.029166666666665,1.3722222222222218,1.09525993883792,0.7931192660550446,0.781645569620252,1.4195402298850552,0.8407276995305151,1.266666666666667,1.0291666666666666,1.3722222222222205,1.095259938837919,0.7931192660550453,0.7816455696202534,1.4195402298850568,0.8407276995305167,1.2666666666666668,1.0291666666666661,1.372222222222221,1.0952599388379194,0.7931192660550452,0.781645569620253,1.4195402298850566,0.8407276995305163,1.4854629855851442,0.8021113282840616,1.5055519516078744,0.8753073607434481,0.7357896789551186,0.664580156921202,1.7885582617926303,0.7356376224608826,102.2143553393341,51.10717766966703,78.5581773262389,102.21435533933408,6.814290355955604,51.10717766966703,-3.552713678800501E-14,0.16597909582470766,0.01106527305498051,-2.6938401409831623,99.56196438064704,6.637464292043136,6.901170311888923,102.2143553393341,51.10717766966703,78.5581773262389,102.21435533933408,6.814290355955604,51.10717766966703,-3.552713678800501E-14,0.16597909582470766,0.01106527305498051,-2.6938401409831623,99.56196438064704,6.637464292043136,6.901170311888923,102.2143553393341,51.10717766966703,78.5581773262389,102.21435533933408,6.814290355955604,51.10717766966703,-3.552713678800501E-14,0.16597909582470766,0.01106527305498051,-2.6938401409831623,99.56196438064704,6.637464292043136,6.901170311888923,102.2143553393341,51.10717766966703,78.5581773262389,102.21435533933408,6.814290355955604,51.10717766966703,-3.552713678800501E-14,0.16597909582470766,0.01106527305498051,-2.6938401409831623,99.56196438064704,6.637464292043136,6.901170311888923,102.2143553393341,51.10717766966703,78.5581773262389,102.21435533933408,6.814290355955604,51.10717766966703,-3.552713678800501E-14,0.16597909582470766,0.01106527305498051,-2.6938401409831623,99.56196438064704,6.637464292043136,6.901170311888923,102.2143553393341,51.10717766966703,78.5581773262389,102.21435533933408,6.814290355955604,51.10717766966703,-3.552713678800501E-14,0.16597909582470766,0.01106527305498051,-2.6938401409831623,99.56196438064704,6.637464292043136,6.901170311888923,113.84015084353933,56.802668014362254,88.53125654784402,113.63664467069981,7.575776311379988,56.802668014362254,-0.23481481481482547,0.15310489895656246,0.01020699326377083,-2.8149479676307396,94.94788335810678,6.329858890540452,6.8299922172541745,0,11.9,12.100294469180701,-0.1279111260401603,0.07232543232183783,6.012583007812497,10.019418764825664,15.0,39.0,36.0,36.0,12.0,3.0,3.0,0.0,0.0,3.0,26.236967999999994,3.7726056338518084,3.539815175263183,3.3047352921196063,2.830096022959262,2.6941940692187187,2.569552802441865,2.3335527931030486,2.14905857556893,2.012507634451633,1.8604060366817123,1.6720470209026965,1.4232559271443364,1.3500393396595336,1.2862205232897397,1.249629722584356,0.9719461964360434,3.787079331815572,3.5593877517670394,3.325025586338623,2.8687822602494193,2.7365641491894483,2.6229303585708377,2.4054545878412887,2.213342496109757,1.9736159821352355,1.809454474922284,1.610322597431699,1.3363624443549653,1.2524829746919093,1.1941113738088471,1.13454068594835,0.8671447323512551,3.853325245542334,3.648913185461511,3.422258800128005,3.0430282448717176,2.926711590601223,2.8529297160212512,2.704236987233522,2.4807146663196447,1.8671031828008635,1.6674748912188437,1.4432387567242477,1.0783566991759828,0.9653628892373399,0.8971648906451266,0.7603185604308984,0.5309003675837947,3.79787474895984,3.5739903634946124,3.340400323584027,2.8975480013857116,2.7680053517177847,2.6621312302236704,2.4575399160416946,2.2599399570676972,1.949579257268695,1.7777008867595154,1.5721777213731205,1.2806631483999287,1.1898847090081883,1.1334775920011844,1.0582626705327114,0.7982010337152983,3.887285346157422,3.694601404261095,3.4743325817710264,3.129374851265425,3.0214235205043893,2.9594706311884873,2.838982085149648,2.6013155568033564,1.836113915001465,1.6256870901725824,1.3963776400728283,0.998383534550135,0.8779873946279164,0.7958032425134942,0.6313372621875608,0.41547912960579036,3.778513630176475,3.622172589321806,3.3796294282606762,2.91861880488757,2.7866725221319,2.7290843056359515,2.615478898254919,2.363945090965164,1.9644177448860576,1.7339975397951772,1.507801518126878,1.216507714734294,1.148501520761595,1.0368223795831042,0.8957336753249827,0.6930267152683008,0,0,0,2,4,4,5,0,0,0.0,0.0,0.0,0.08333333333333333,0.13144585576580214,0.0,0.0,0.0,0.051031036307982884,0.07654655446197432,1.0992923521208586,0.0,0.11785113019775793,0.0,0.7945759751233814,0.0,0.08838834764831843,0.0,1.7171434823186165,1.8785379811304466,2.1123420624516682,1.2417447587720845,1.268137587014639,1.2921964947739735,11.259148545064338,7.092224152875016,6.3219863033806,4.306191731823352,2.938675628664728,2.1476960725017586,1.5058186169134287,0.6570657064356591,0.7506099030042892,0.47281494352500103,0.3327361212305579,0.2153095865911676,0.1399369346983204,0.08948733635423994,0.06844630076879221,0.04106660665222869,10.69023444431199,6.058060412490447,4.958633986383436,3.1935145033046695,1.9913581211495588,1.3144366227525088,0.8599526106190037,0.3475745851004345,0.712682296287466,0.40387069416602983,0.260980736125444,0.15967572516523348,0.09482657719759804,0.05476819261468787,0.03908875502813653,0.021723411568777155,21.501933645430462,37.65404224326294,35.705882352941174,36.12,24.5826538922156,296.56714491017965,0.5513316319341144,0.9654882626477678,0.9155354449472096,0.9261538461538461,0.630324458774759,7.604285766927683,4.9580700000000055,68.16300000000005,78.77420547122462,115.80362797825445,157.54841094244924,10.50322739616328,78.77420547122462,0.17838093221821294,0.011892062147880862,-2.5857509201001614,106.34315931410808,7.089543954273872,7.000006825785222,225,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,4.0,9.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,5.0,0.0,2.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.040795776643991,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.555291477702192,0.0,0.0,1.3847679280045355,3.030166643046108,0.0,0.555291477702192,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.905078813932981,0.0,6.220792076089695,0.0,4.733352229780801,0.0,0.0,0.0,0.0,6.30744354686319,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.437207813681028,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2720893172083648,0.0,0.0,0.3426888463718821,0.3079106827916352,0.0,0.2720893172083648,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.175776486520534,0.0,1.2008810468631896,0.0,2.3412457482993196,0.0,0.0,0.0,0.0,1.437207813681028,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3921064814814814,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2832021604938272,0.0,0.0,0.350625,0.39260204081632655,0.0,0.2832021604938272,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.308194444444444,0.0,1.2946310468631896,0.0,2.3921064814814814,0.0,0.0,0.0,0.0,1.6831075207860924,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,26.166666666666668,1.7444444444444445,0.39260204081632655,2.3921064814814814,0.005208333333333315,1.2008810468631896,7.281404912525194,0.2991189531368103,0.3921064814814814,3.309743795666414,0.2991189531368103,0.3921064814814814,3.309743795666414,7.5,0.5,0.0,0.0,0.45385,0.7,0.43333,0.43333,0.7,0.02051,0.02051,-0.0,0.0,0.71429,0.0,0.0,0.26667,0.26667,0.0,10.5,0.7,7.5,0.5,3.0,0.2,-4.5,-0.3,0.0,0.0,17.12093,1.1414,21.00364,3.88271,0.25885,5.40809,0.36054,7.0922,1.68411,0.11227,0.3218,0.02145,0.4078,0.02719,0.15384615384615385,15.0,0,0,0,0,0,0,0.6,0.961236604722876,2.0518766904001833,3.1373397185848804,3.5795220903242786,4.2336188853070205,4.3361829878711236,37.48822758419216,80.02319092560715,122.35624902481034,139.60136152264687,165.1111365269738,169.1111365269738,0.18186631119434363,0.3882158075080001,0.5935858026828152,0.6772468663879316,0.8010022151574988,0.8204073802361522,4.324165614139373,3.2335255284620654,2.1480625002773683,1.70588012853797,1.0517833335552282,0.9492192309911252,0.1782603896169623,0.3805185284034732,0.5818165869338143,0.6638188759443773,0.7851204877930495,0.8041409004510363,6.796774065078518,17.08522603274824,21.912326280967463,24.82553939132421,26.048455795069046,26.151822465017762,58.06266587286679,38.40177653801335,30.623947268363647,24.14023139498245,20.34607276075477,19.877272305603537,13.066666666666666,6.554016620498615,5.04,8,2,7,3.11,1.984500000000001,1.0129094569634634,6.708788476391314,4.498413307857871,0.0,7.352074352568606,11.086979436008095,0.0,1.701901334924234,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.121,0.088,0.4810000000000001,0.688,7.342999999999999,19.0,20.0,21.0,24.0,22.0,16.0,12.0,10.0,10.0,184.0,2.9444389791664403,3.4011973816621555,3.5553480614894135,3.713572066704308,4.07753744390572,4.248495242049359,4.110873864173311,3.9318256327243257,4.110873864173311,4.290459441148391,6.226536669287466,2.744565217391304,0.5,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.2,7.0,0.4666666666666667,1,5.0,10.0,1.0,3.5,1.7777777777777786,0.75,0.4622222222222224,0.3750000000000001,0.18285714285714283,0.1371527777777778,0.06979087931468882,0.07125000000000001,0.0,0.23333333333333334,0.09356725146198834,0.04411764705882353,0.03555555555555557,0.0340909090909091,0.01662337662337662,0.017144097222222224,0.011631813219114802,0.023750000000000004,0.0,0.5098139835653236,59.23963195342715,91.28972116588021,118.47926390685433,7.89861759379029,59.23963195342715,0.14769679685137904,0.00984645312342527,-2.8688906648038452,135.5305708963322,9.035371393088813,7.363795845515249,0.0,247.73039328560026,4.906890595608519,4.23410650459726,4.990432586778736,5.796057750765372,6.577861357721047,7.388327859577107,8.18060094759445,8.994048295611075,9.792276623200125,10.607648854359173,96.56136078020434,3.4339872044851463,0.0,4.672828834461906,0.0,6.0844994130751715,0.0,7.5740450053721995,0.0,9.106201332235038,9.354094335620879,204.187800768,5.235584635076923,29.21681357962351,1.9477875719749005,0.0,0.0,0.0,428.0,17.0,5.1480000000000015,68.0,1.2392477825288348,2.15022846076708,3.0584138622168324,3.797234817798342,4.555561180880418,5.741016787148126,6.86426864927456,7.490672510460273,8.78527096635641,10.039191776012006,89.7429525742523,109.2098714236054,122.10565566520097,105.75377543571925,108.25363523464819,164.51561835768786,216.1543794510784,155.03515683524896,129.1885816978373,143.0102101674839,316.8127891846012,416.92854835683215,528.6495066796958,504.93507677686614,527.3095138834387,732.9825849871745,1034.7824220452346,812.9645098079194,804.9135037123125,830.5659072751407,9.059664873289355,15.418758046506229,21.908360796506766,26.775048798230042,31.842380063019707,40.23610702055285,48.88208426831972,52.2819844823788,60.98834004446429,69.18433096671082,2.3274276062584014,3.2280917390868273,4.2916589728504375,4.341847036345208,4.653004649468006,6.245740829909465,8.74778529746547,7.35584551835779,7.725927708540264,8.052323468603225,174.86729514432832,325.03778898221725,462.14527156023684,605.6168996117576,748.1841414076458,935.8365889103212,1057.1894339573066,1235.0277927818306,1472.0594350165582,1723.281152780846,2.8344664155091217,4.175940751254817,5.853627470579668,6.234145229863474,7.0639204689406885,9.420834187120118,13.021724218743177,11.689139817707687,13.354938533850877,14.081902422074366,0.4798041220848512,0.6728522619385203,0.9013481229158954,0.9224033118802536,0.9942489532189805,1.3269243510084188,1.85022395462705,1.5779734478920977,1.6733007170885372,1.7506903052938394,465.9567026905392,356.094151811,14.789676138830378,117.52361050367624,-89.81407533881291,-6.259017486257416,348.43309218686295,445.90822714981294,21.048693625087793,0.7985817038790857,0.610293344537353,0.025347343868151264,0.20141829612091414,-0.15392820170252713,-0.010727041418060763,271.8765628208198,207.7739272253108,8.629484865525766,68.57271306440002,-52.40474480793943,-3.6520134831695485,0.07520062283076223,0.11121008712745564,1.8831859267953492,1.0492221806513509,583.4803131942156,0.0,1.0,0.0,1005.2129856400811,31.705094001438965,10.017346511256358,1245.509127608886,35.29177138666868,10.759257581826569,1864.462190787834,43.17941860178104,12.307916094850059,2.2558599919778786,2.2558599919778786,2919.274123149346,2662.3902737576673,285.6465772089359,1.0964861733171507,10.219881336138139,9.320574745799473,6.33627871935591,6.920370662038269,12.867604287123534,0.8593807926660414,9.781437270086801,12.094375381146419,6.9276949963664345,23.861931615508684,8.642872911555678,11.388723249163187,12.20642937530234,30.04766284987114,26.56062512883999,3.896009998735515,6.496739675008675,13.118522920197522,13.307901668959902,8.18358706562395,8.170888478218192,4.17633778615009,8.98716140913019,5.90116892308772,5.244811177329579,2.7573481122877794,2.105656923992662,4.6745594883038395,3.9543562613486434,1.444678844022468,0.34523719684444826,8.408148697905538E-18,3.9504724520004222E-56,3.58066324411857E-116,6.2609985376665265E-198,2.1119774181745144E-301,0.8209075798996097,12.077367540080322,0.5606384430255408,15.704394861821635,3.1478133707277003,0.6739995073038522,2.1554372591705233,2.492434547709457,7.173888184565645,0.150028217063223,0.5992701211658716,2.549787642141981,0.7825352292747662,3.327313697495359,1.5550946662745315,0.26401702482435035,3.0475673715111338,1.2513841050724102,1.359205073029277,0.46695861885738876,1.0622840844207722,1.1231007269639453,0.05011890082104958,0.01022718459519383,0.0024315338057933167,5.921927877402513E-20,2.7823500490945752E-58,2.5218904002278507E-118,4.409672463311652E-200,1.4874829642639075E-303,2.649942721381039,12.07850426681089,1.823485288265589,16.630607124584333,3.736514639112584,2.3567452819911967,3.96611059653523,5.872506248014655,9.939639815855054,0.5805042900766297,1.5878665912060723,3.9344344245793277,2.7435972096764996,4.167553348681024,2.3183661289721673,0.8803292662688326,3.613841797070087,1.9202291240798433,1.6748084463506498,0.7552644068256933,1.260268224722766,1.5365839828848098,0.34743829445539315,0.10616534837068284,0.025338456978784743,6.171105431292706E-19,2.899423271472917E-57,2.628004235809308E-117,4.595218694304741E-199,1.5500719343023585E-302,9.232880063224227,12.092508150213726,6.524887917890978,23.101129445969004,8.117926583008744,10.554350467402818,11.50587526610152,27.566708378126133,24.95227163298841,3.54846941008656,6.0595691945527825,12.19817192457445,12.330392719199573,7.832860335208551,7.558159005530594,3.8723451606519945,8.394966682092209,5.517360349722305,4.838002269429338,2.553733003443676,2.036479244006231,4.346962735841156,3.538593106581242,1.287218778918301,0.3076001268958702,7.491509113371716E-18,3.519799832233837E-56,3.190306485886884E-116,5.5784369769078404E-198,1.881733856518363E-301,3.905518006149455,12.07997788497451,2.7013182649334633,17.48582193635165,4.298885728559773,3.6616517651236777,5.280623655909586,8.859269256902461,12.192021042683061,0.9752312452198424,2.330405240349568,5.114369010220933,4.266660352256644,4.789195246085801,3.0166659687840056,1.3575297669466226,4.194418833777432,2.462589767844967,2.033249306142719,1.0063889070169265,1.4006291200897563,1.9129017998897178,0.6998858677352078,0.2304768873072208,0.05503851445047731,1.3404465620775637E-18,6.297934785793177E-57,5.708376371521393E-117,9.981429047607498E-199,3.366963372189975E-302,11.812497698842439,12.102226784023667,8.433892032801094,26.97564378153732,10.800588985212407,14.680618374172512,14.897049053570322,40.13509692117634,32.994228680401754,5.31701979231908,8.20182692883179,16.836526120042684,17.166428376346353,9.542835077052949,10.675395064905253,5.375101426051144,11.439323991782034,7.434819055052016,6.9428543330129315,3.58322813487115,2.367812055683913,6.012602780561435,5.694424780941764,2.1067580805160664,0.5034960056628561,1.2262494664855694E-17,5.761392799628008E-56,5.222060825183344E-116,9.131077948696339E-198,3.080120577447909E-301,5.797083905632317,11.225213220630295,3.822905317451314,18.858765633855654,4.921605137045337,5.585259918965342,6.789158190240843,13.610272476109907,15.798333975931163,1.6878968123234424,3.322537540667823,7.18923116952662,6.787577665004645,5.989616299285292,3.893450300076839,2.0088538683129777,5.630360237167749,3.2896009151116234,3.0278272079489366,1.534854343441345,1.9189604854090163,2.971849477413089,1.3946377207025322,0.47496440743798,0.11344968536005642,2.7630331637403078E-18,1.2981795148364403E-56,1.1766551291070801E-116,2.05745012597261E-198,6.940247915620741E-302,14.79377732461289,2.26056151083604,0.3654488031309473,0.8492513015399155,0.1297697513734059,0.5402715894271859,0.5611231752254053,0.4607421980154502,17.419787638579876,39.67473133550331,69.31594687898878,0.7738769523098732,1.5621369626680415,12.997492454239179,1.3283954355125338,0.07040341021562568,0.9028361668583816,0.09227344792026733,0.41705185656298566,0.1956415912012785,0.01709595611895973,14.396291299967338,18.274401011125182,33.886264190538505,0.8542542502875724,0.6297894038832239,13.661718106064875,1.674331685844546,0.17964047887409082,0.8805098495546976,0.10791216224503787,0.4607102510151954,0.3099936008258442,0.11131613759506193,15.515690270783512,25.629222836716067,45.254053883732055,0.8207647743320463,0.8820199894361016,14.743997585541027,2.2348660913641565,0.3572873490620486,0.8504769924683104,0.12891362609939347,0.536636146676518,0.548639519946469,0.440390739119935,17.336151025967233,39.017193448288,68.12626998410701,0.7757154887024658,1.5256664057429221,13.977652526337444,1.8383448892663543,0.23154044661925927,0.8710153947816346,0.11455619578838554,0.48225972660184,0.37307952734096633,0.1849358248198927,16.047537862223056,29.35778919107134,51.354931578200194,0.8065230921724519,1.040275078762699,14.951597400310467,2.341977751720652,0.39131839937548163,0.8454445799658922,0.13242815089120955,0.5518807061421804,0.601555013757174,0.5282889900362764,17.6848935514066,41.78360261218386,73.17102194384381,0.7681668699488382,1.6817247099356307,14.784004811301156,2.238331829952708,0.35769924014688037,0.8506314320744451,0.12878752640252372,0.5395484299104951,0.5504882561569718,0.4414059387096119,17.380035881400744,39.18038542541026,68.39722876806675,0.7759471481116677,1.5314426247770787 +UMLCN0023,L,limonene,CC1=CCC(CC1)C(=C)C,Cycloalkenes,Olefins,C10H16,Marquardt (2015),IQT,PubChem,,18.9,0,2.1424,4.589877759999999,46.0152,28.268687999999976,0,0,26,10,16,0,10,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1458.8982339999982,1636.3546179999994,2188.271412999998,2093.4565789999983,1367.2270139999966,713.5445550000006,403.6740980000003,133.17796800000002,15.240960000000001,4732.508928388178,6070.9548794215925,8684.972576313558,9673.724634743201,7917.25803744317,4746.465321033711,2324.434134219555,1262.1027800757051,466.25616646395395,182.90058400000007,189.2872720000001,343.152148,441.95322800000025,517.6661999999999,420.27581999999984,192.9544400000001,78.293952,100.77695999999997,35.002806477583995,45.70570896000001,68.54043679848998,80.77934575848991,73.05540233062098,47.53287658426209,22.489186767281982,12.24898741,6.6691935727350025,4226.625993287985,3717.904324306401,7325.566842234992,9521.938893461393,12095.157406046324,10469.704799449464,4807.086830319682,1684.3480248419003,2773.764780363735,51.083333333333336,59.30555555555556,89.4166666666667,117.8055555555556,122.11111111111113,88.16666666666666,41.333333333333336,25.0,15.0,56.11147053846147,62.936716076923055,45.58898777083329,33.76542869354836,18.476040729729686,11.697451721311486,14.416932071428581,12.107088000000003,1.016064,182.01957416877607,233.49826459313817,180.9369286731991,156.02781668940648,106.98997347896176,77.81090690219199,83.01550479355554,114.73661637051865,31.083744430930263,7.034637846153848,7.280279692307696,7.149003083333334,7.128277870967746,6.995489189189188,6.889767540983604,6.891230000000003,7.117632,6.718463999999998,1.3462617875993845,1.7579118830769234,1.4279257666352079,1.3028926735240307,0.9872351666300132,0.7792274849879032,0.8031852416886422,1.11354431,0.4446129048490002,162.56253820338404,142.9963201656308,152.61597587989567,153.57965957195793,163.44807305468007,171.6345049090076,171.68167251141722,153.12254771290003,184.917652024249,1.9647435897435899,2.280982905982906,1.862847222222223,1.9000896057347678,1.6501501501501503,1.4453551912568305,1.4761904761904763,2.272727272727273,1.0,0.05649088496931599,1.794496937789934E-5,-0.00973295317631679,-0.032118299146879,-0.004146996755201875,0.011298924415928115,0.010935141918447563,-0.020070843618206685,0.015571638908192765,745.0215938461533,-1.4210854715202004E-13,58.74208720710043,-491.42770517159795,-323.0814796390536,244.99748566863929,184.82266462721896,-315.20144355029583,268.63759393491125,1385.3994673182933,5.258016244624741E-13,109.23341953855828,-913.8308024811051,-600.7838074620688,455.58328636812996,343.6856370847301,-586.1305438654317,499.543077158038,0.14594461538461523,2.2013640910145682E-15,0.011507171597635051,-0.09626731360946524,-0.06328944378698287,0.04799332544378409,0.03620549112425901,-0.061745798816567644,0.052624260355027964,6.1933802144553844,1.554312234475219E-14,0.4883242092166874,-4.0852488722272895,-2.6857831506917194,2.0366692628305003,1.5364347070475763,-2.6202762445772763,2.2331899811738056,33.64253962122456,-1.3145040611561853E-13,2.6525848547502857,-22.191136711692494,-14.589216701127189,11.063219760056722,8.345937713726947,-14.233382147441187,12.130723421114729,6.184829059829055,-1.3621794871794868,1.0348454963839575,-3.563609467455622,-0.8754109138724495,0.9894395134779769,2.5167652859960565,-3.312171268902038,1.4799063116370812,0.002172726344973692,6.901911299192053E-7,-2.0276985783993312E-4,-5.180370830141774E-4,-5.604049669191723E-5,1.8522826911357564E-4,3.905407828016987E-4,-0.0018246221471096987,0.0010381092605461844,28.654676686390513,-5.465713352000771E-15,1.223793483481259,-7.926253309219322,-4.365965941068292,4.016352224076054,6.600809450972106,-28.65467668639053,17.909172928994085,53.284594896857435,2.0223139402402852E-14,2.275696240386631,-14.739206491630728,-8.118700100838767,7.468578465051311,12.27448703874036,-53.28459489685743,33.30287181053587,0.005613254437869817,8.466784965440647E-17,2.397327416173969E-4,-0.001552698606604278,-8.552627538781468E-4,7.867758269472802E-4,0.001293053254437822,-0.005613254437869786,0.003508284023668531,0.2382069313252071,5.978123978750843E-16,0.010173421025347655,-0.06589111084237563,-0.03629436690123945,0.03338802070213935,0.05487266810884201,-0.23820693132520693,0.1488793320782537,1.2939438315855598,-5.055784850600713E-15,0.05526218447396428,-0.357921559866008,-0.1971515770422593,0.1813642583615856,0.2980692040616767,-1.2939438315855625,0.8087148947409819,0.23787804076265598,-0.05239151873767257,0.02155928117466578,-0.05747757205573584,-0.011829877214492562,0.016220319893081588,0.08988447449985916,-0.3011064789910944,0.09866042077580542,3.1766132514380793E-4,-0.0933250790229583,-0.2384272111453824,-0.025792708235696286,0.08525154101531293,0.17974688055178323,-0.8397846103954669,0.477791077071307,-1.9074419899480846E-16,0.042708333333333244,-0.27661290322580684,-0.15236486486486514,0.14016393442622974,0.23035714285714304,-1.0000000000000007,0.6250000000000006,3.795306962837687E-16,0.04270833333333355,-0.2766129032258065,-0.15236486486486517,0.14016393442622918,0.23035714285714262,-0.9999999999999999,0.6249999999999994,1.5083558137538694E-14,0.04270833333334049,-0.27661290322580034,-0.1523648648648665,0.14016393442622122,0.23035714285713457,-0.9999999999999946,0.6249999999999815,2.509634772377523E-15,0.04270833333333446,-0.2766129032258056,-0.15236486486486542,0.14016393442622813,0.23035714285714143,-0.9999999999999993,0.624999999999997,-3.907267631861196E-15,0.04270833333333153,-0.2766129032258082,-0.1523648648648649,0.14016393442623185,0.23035714285714526,-1.000000000000002,0.6250000000000054,-0.22024529279668345,0.09063165774169404,-0.2416262210309878,-0.04973085021452603,0.06818754619416718,0.37785948720479773,-1.2658019127184796,0.41475211608222534,1.1654235215033237,1.1490365307586505,1.298939193958523,0.9233307593516833,0.7314937289928626,0.8415617912816876,1.9638059499384897,0.059854378218010415,1.2500000000000016,1.0579427083333348,1.3432459677419375,1.0705236486486502,0.665983606557378,0.5803571428571432,2.031250000000002,0.0,1.2499999999999996,1.0579427083333328,1.3432459677419346,1.0705236486486478,0.6659836065573768,0.5803571428571429,2.03125,0.0,1.2499999999999996,1.0579427083333328,1.3432459677419348,1.070523648648648,0.6659836065573768,0.5803571428571428,2.0312499999999996,0.0,1.2500000000000002,1.0579427083333337,1.3432459677419348,1.0705236486486482,0.6659836065573772,0.580357142857143,2.0312500000000004,0.0,1.250000000000001,1.0579427083333344,1.3432459677419357,1.070523648648649,0.6659836065573776,0.5803571428571431,2.031250000000001,0.0,1.4898946277422709,0.624568146484713,1.3265564836536485,1.0097785641921078,0.814504048095739,0.3288256052118554,3.674680820992795,0.0,44.48185250083321,22.240926250416596,33.81771800493273,44.48185250083319,4.44818525008332,22.240926251386387,-2.4868995751603507E-14,0.04382658355244651,0.004382658355244651,-3.1275147152863614,99.57961592440347,9.957961592440347,4.600957484251421,44.48185250083321,22.240926250416596,33.81771800493273,44.48185250083319,4.44818525008332,22.240926251386387,-2.4868995751603507E-14,0.04382658355244651,0.004382658355244651,-3.1275147152863614,99.57961592440347,9.957961592440347,4.600957484251421,44.48185250083321,22.240926250416596,33.81771800493273,44.48185250083319,4.44818525008332,22.240926251386387,-2.4868995751603507E-14,0.04382658355244651,0.004382658355244651,-3.1275147152863614,99.57961592440347,9.957961592440347,4.600957484251421,44.48185250083321,22.240926250416596,33.81771800493273,44.48185250083319,4.44818525008332,22.240926251386387,-2.4868995751603507E-14,0.04382658355244651,0.004382658355244651,-3.1275147152863614,99.57961592440347,9.957961592440347,4.600957484251421,44.48185250083321,22.240926250416596,33.81771800493273,44.48185250083319,4.44818525008332,22.240926251386387,-2.4868995751603507E-14,0.04382658355244651,0.004382658355244651,-3.1275147152863614,99.57961592440347,9.957961592440347,4.600957484251421,44.48185250083321,22.240926250416596,33.81771800493273,44.48185250083319,4.44818525008332,22.240926251386387,-2.4868995751603507E-14,0.04382658355244651,0.004382658355244651,-3.1275147152863614,99.57961592440347,9.957961592440347,4.600957484251421,57.92103337031682,28.707322240713975,44.65783624810332,57.51592225920572,5.751592225920572,28.70732224071534,-0.5063888888888748,0.09371790363649934,0.009371790363649934,-2.3674660339612696,58.48555907101742,5.848555907101742,4.068779870277592,0,11.889999999999997,12.110155106233554,-0.17123722795509672,0.05133390977037114,6.189564732316414,9.494068390955261,10.0,26.0,24.0,24.0,8.0,2.0,2.0,0.0,0.0,2.0,17.491311999999997,3.7335112182342107,3.3342902467529267,2.775858445688363,2.665418572122345,2.2346147701682693,2.1152035219350425,1.3819111639445856,1.1695020393072708,2.0062927297744038,1.6906932271688746,1.4021587518076108,1.2960508350315216,1.1205343492453854,0.9457473050555736,0.5690599404109387,0.42729134681186304,3.7506532770474332,3.3548869739617366,2.81628727174831,2.7083394559813807,2.30365969312628,2.1787106713333992,1.478539354960048,1.2707724397729776,1.9635842675283612,1.632075994466572,1.310515694251588,1.2069294035775706,1.0089400995420845,0.8381601267559844,0.42730935847486745,0.2765230938698903,3.8279269752624794,3.45143552999628,2.999793722611018,2.898608913301584,2.5919527556762425,2.4452665281363353,1.8769614092244489,1.6916483492231147,1.843759858459845,1.4718892299383337,1.0371954812716848,0.9365095302446504,0.6462331801551084,0.4957937054129571,0.04950550143407105,0.23032892557193968,3.7633778158648723,3.3703789349249424,2.8464344371479235,2.7401108712680347,2.3537722096879428,2.2248721876773176,1.5485260159352812,1.3443735650182518,1.9369229217902493,1.5957808283975574,1.2516095448317162,1.1493755762135394,0.9349784144922009,0.7675188285095983,0.3321208234161931,0.17527614541084016,3.866808839451293,3.5020162090138176,3.091263836546053,2.990836660480856,2.722421748258582,2.566965134511856,2.0527619735336273,1.878277082453533,1.808034905555961,1.4260405717887588,0.9525998480743751,0.8503795462301234,0.5214548032244053,0.37983212923107507,0.21933750083680273,0.4104144843716814,3.7450518628207377,3.4969241379488474,2.8690124167396216,2.7020517879432577,2.590893793882224,2.2804438104925984,1.59629960249841,1.3830393472440237,1.9917476508430059,1.5097254144578642,1.1977457607628006,1.1440232801487293,0.766166551949572,0.6259247251465268,0.23957190309958165,0.0958226565763819,0,0,1,1,2,2,3,1,0,0.0,0.0,0.0,0.08333333333333333,0.13144585576580214,0.0,0.0,0.0,0.05892556509887897,0.08838834764831845,0.7886751345948129,0.0,0.16666666666666666,0.0,0.5525858577612696,0.0,0.10206207261596577,0.0,1.448688404983744,1.404193778638575,1.4982668271404167,1.009145315052297,0.9222371680023413,0.911621355971929,7.560477932315068,4.698377302757664,4.263968845143928,3.003322558366081,1.95252974511572,1.4491352930730959,0.9199574179672634,0.19245008972987526,0.7560477932315068,0.4698377302757664,0.32799760347260987,0.21452303988329152,0.13946641036540858,0.09057095581706849,0.07666311816393862,0.048112522432468816,6.983127663125442,4.009201921767763,3.368130306120973,2.3348909117743477,1.4128424251168994,0.9771685303457202,0.5428276454510809,0.10059223176554563,0.6983127663125442,0.40092019217677627,0.25908694662469023,0.16677792226959626,0.10091731607977852,0.06107303314660751,0.045235637120923405,0.025148057941386408,14.334622430286998,25.102694828841948,23.80392156862746,24.079999999999995,16.388435928143707,197.71142994011979,0.5513316319341153,0.9654882626477672,0.91553544494721,0.926153846153846,0.630324458774758,7.604285766927684,3.1612800000000023,45.372000000000014,41.38554760924701,57.245453800776076,82.77109521849403,8.277109521849402,41.38554760924701,0.1645164260475453,0.01645164260475453,-1.804744859369456,43.266750754587235,4.3266750754587235,3.7673844590804357,88,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,4.0,5.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,3.0,0.0,1.0,0.0,1.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.228556311413454,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.34809240362811794,0.2785416666666667,0.0,0.0,1.2700694444444443,1.5928103741496598,0.0,0.6266340702947846,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.354962207105064,3.9745748299319725,3.815833333333334,0.0,2.3500462962962962,0.0,0.7673148148148146,0.0,0.0,2.9039351851851856,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3506944444444446,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.34809240362811794,0.2785416666666667,0.0,0.0,0.28680555555555554,0.30232426303854876,0.0,0.2785416666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1380555555555554,3.9745748299319725,1.2233796296296298,0.0,2.3500462962962962,0.0,0.7673148148148146,0.0,0.0,1.3506944444444446,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.9745748299319725,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.34809240362811794,0.2785416666666667,0.0,0.0,0.33368055555555554,0.33368055555555554,0.0,0.34809240362811794,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.216906651549509,3.9745748299319725,1.3171296296296295,0.0,2.3500462962962962,0.0,0.7673148148148146,0.0,0.0,1.553240740740741,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.166666666666664,1.8166666666666664,0.34809240362811794,3.9745748299319725,0.046875,0.7673148148148146,5.55915703420257,0.5660185185185187,0.9745748299319728,3.3591666666666664,0.5660185185185187,0.9745748299319728,3.3591666666666664,5.0,0.5,0.0,0.0,0.45385,0.7,0.43333,0.43333,0.7,0.02051,0.02051,-0.0,0.0,0.71429,0.0,0.0,0.3,0.3,0.0,7.0,0.7,5.0,0.5,2.0,0.2,-3.0,-0.3,0.0,0.0,9.30522,0.93052,11.95289,2.64767,0.26477,3.6207,0.36207,4.69836,1.07765,0.10777,0.21564,0.02156,0.30164,0.03016,0.23076923076923078,10.0,0,0,0,0,0,0,0.6,0.961236604722876,2.4365703397565666,3.4885252948977485,3.7192945256669794,3.7962176025900556,4.026986833359286,24.992151722794777,63.35082883367073,90.70165766734146,96.70165766734146,98.70165766734145,104.70165766734145,0.2044992941858259,0.5183707239883867,0.7421699892105783,0.7912652323382775,0.8076303133808438,0.856725556508543,3.739203113418217,2.263869378384526,1.211914423243344,0.9811451924741132,0.904222115551037,0.6734528847818062,0.19995124560336303,0.5068421989349782,0.7256641857024817,0.7736675543970608,0.7896686772952537,0.8376720459898329,6.796774065078518,19.79130997584445,21.697048432787554,22.77517536078756,23.698252283864484,23.930827291249095,38.708443915244516,22.164673380704784,19.43098264702454,17.661413633069852,16.415056840081657,15.642803381867855,8.1,3.408284023668639,2.2857142857142856,2,2,0,2.56,1.3230000000000002,0.7211247851537042,3.8883225944793316,3.867776753289419,0.0,3.3019272488946267,7.065551058002885,0.0,1.3103706971044482,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.126,0.12,0.33,0.512,4.678999999999999,13.0,14.0,14.0,16.0,12.0,4.0,0.0,0.0,0.0,93.0,2.5649493574615367,2.9444389791664403,3.044522437723423,3.1354942159291497,3.4339872044851463,3.367295829986474,2.5649493574615367,0.0,0.0,0.0,5.030437921392435,1.6344086021505377,0.5,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.1,3.0,0.3,0,3.0,6.0,1.0,2.5,1.333333333333334,0.5,0.38222222222222235,0.23611111111111113,0.0,0.0,0.0,0.0,0.0,0.25,0.10256410256410262,0.045454545454545456,0.06370370370370372,0.0787037037037037,0.0,0.0,0.0,0.0,0.0,0.5404260554260555,24.794570741056727,37.39674508494395,49.589141482113476,4.958914148211347,24.79457074113257,0.015455772100311849,0.001545577210031185,-4.169772746683323,91.09660651613537,9.109660651613536,4.511920553474804,0.0,163.88692885706686,4.321928094887363,3.8501476017100584,4.61512051684126,5.424950017481403,6.2166061010848646,7.027314514039777,7.824445930877619,8.635331719433278,9.433563920090563,10.244485248089557,83.27196556964839,3.044522437723423,0.0,4.290459441148391,0.0,5.733341276897746,0.0,7.256297239690681,0.0,8.815963560853438,9.055672891964043,136.125200512,5.235584635076923,19.385708226955547,1.9385708226955547,0.0,0.0,0.0,120.0,11.0,3.728999999999999,46.0,1.2724992373360957,2.2334615993396008,3.099312591166656,3.7743108672988153,4.3901372793712055,4.519985560395392,5.381238037299533,5.597376734651665,0.0,0.0,93.24156892915451,114.7151775803789,111.4076373866434,71.41240748922496,49.758271488798194,71.54626895936697,65.15112246653273,5.68729299451711,0.0,0.0,327.86173325372874,439.05586880856566,502.74156065760377,413.5519540411656,333.90309337319803,394.02086564387326,617.4250442840793,173.98742790354734,0.0,0.0,9.306243380351397,16.038604213418022,22.1356295848246,26.445164448371955,30.216912518141736,31.193125180429494,38.30167205390035,37.60577408619478,0.0,0.0,2.403703072134329,3.3967231772873876,4.154604449996341,3.8006396881012248,3.3643629683669536,3.746800104510246,5.992246997190462,2.488665929527687,0.0,0.0,179.34205302005324,335.8265168106774,472.9168677312858,613.5885136666919,755.851291523187,772.7387539527525,823.98887812087,1035.0537632669439,0.0,0.0,2.9713052100714723,4.324577287956515,5.995427529903272,6.349682175619821,6.2939409838398195,6.901821311638554,12.42838067428169,5.597376734651665,0.0,0.0,0.4953396671554002,0.7077643822656358,0.8753340577074964,0.816232972656077,0.7354558730316096,0.8120956757889602,1.291497128951888,0.5731713776283306,0.0,0.0,305.52760864354735,165.89356314524943,10.523516894405917,59.469399909673996,-32.290340938175476,-4.349218037093431,246.05820873387336,198.18390408342492,14.872734931499348,0.837068801891283,0.4545066377470323,0.028831789433341207,0.16293119810871703,-0.08846741255816928,-0.011915763513604957,111.51666318531412,60.550654286250975,3.841052185917446,21.70615306748622,-11.785877847597668,-1.5874515730848158,0.10529424103736151,0.18313438730097042,2.340970904092589,3.824194798925463,364.99700855322135,0.0,1.0,0.0,634.542719593185,25.190131392932134,8.593174318961665,790.1722337826036,28.11000237962643,9.245007225364118,1173.328348308639,34.253880777346076,10.547264920872632,1.3888576164992106,1.3888576164992106,568.8007413157904,496.5807542299742,252.9974326057088,1.1454345269538377,2.248247088745183,1.9627896975693224,4.37684994337597,4.215957051371472,6.969523696258334,0.6531296717055297,4.7075778902853,5.844053474106341,5.86667193221804,19.054783454874624,11.960020594823597,15.661246163619227,15.571007676116858,14.066933193177043,10.335095711017239,6.080349897049625,2.8059341094463828,1.7119605008508785,1.565701696008913,6.131691027437477E-13,7.644252239566303E-47,1.873718793235382E-102,8.863265232843358E-180,8.086601691840908E-279,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.39521546071378516,5.347159930363517,0.5222828513408517,9.56540137255951,4.181514850246294,2.9323278560719133,2.910948332960647,3.0825833437825922,0.3925457709368442,0.2722444396458797,0.021745873066336414,0.05048528030162262,0.011027365065036637,4.318600126570787E-15,5.3839093557730114E-49,1.3196754665908343E-104,6.242470174232548E-182,5.695459691892929E-281,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2754555308830313,5.40103067067155,1.486000159614244,10.977492089567356,5.3931956412602275,5.15239414371863,4.641282650103494,4.363050161426802,1.5675846976486274,1.0174632465416438,0.21063189227890272,0.22437667147577048,0.11491364612083578,4.50031429770669E-14,5.610448650308709E-48,1.3752035837009395E-103,6.505135218530593E-181,5.935108121202837E-280,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.443576370138485,5.796810331726207,5.494497912438042,18.288160006745102,11.350782086022262,14.748204301108437,14.493902761225268,13.054271056944039,9.424144712695576,5.569004370446665,2.501259695257481,1.551785805257617,1.3950120229669731,5.463226313287009E-13,6.810891121833782E-47,1.6694497111968677E-102,7.897009752291452E-180,7.205016519953309E-279,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8797142396069366,5.452131554028464,2.1853261666849493,12.102700132404896,6.336641880293444,6.788688723268573,6.082629751101954,5.527591158907953,2.6279152288678085,1.6597784606466257,0.4529557030763021,0.3928141391505296,0.24960779489746127,9.775284016442059E-14,1.2186644173803462E-47,2.9871259476157126E-103,1.4130022953930344E-180,1.2891847927735752E-279,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.685058714672343,6.0380755862384685,7.29575251524253,22.104082386102466,14.366817997558178,19.19373385813032,19.902014662319434,18.202646037746828,14.051148040269203,8.15050584377059,4.086412603386516,2.371392666487944,2.2834287765209673,8.942495097550465E-13,1.1148423472558584E-46,2.7326427648945058E-102,1.2926239358494714E-179,1.1793548576003816E-278,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.761534264877036,4.559552806584416,2.7300318765498126,12.93086571343347,7.036624529451564,8.009999251041052,8.256435647592246,7.546045283566933,4.561421546978406,2.649557615437295,0.8577939058529684,0.8214787335177423,0.4744151254635215,1.8579317985670332E-13,2.316245102469379E-47,5.677457836585621E-103,2.68561188773976E-180,2.4502791087136837E-279,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7342230201084807,1.968826461067895,1.176551715332291,0.542796437387034,0.2861832255722986,0.47714959696680725,0.46944088480287494,0.4237183898665681,6.879601196508666,14.061969743221443,29.59162279329587,0.31419465608055097,1.3703088716362504,2.9860615626326505,1.2090193513406107,0.6640250900560086,0.6145290018691807,0.24881518335637606,0.30944179872632915,0.1816694629847216,0.1347041643516155,4.85910600402927,6.395845195210595,13.652218705291425,0.4217935028037711,0.6258154260626663,3.2620068743183643,1.4913123387673737,0.8538413561553791,0.5817573500949074,0.2659656916101496,0.3671246440047315,0.27390804877768554,0.22294228061386212,5.607160569241117,8.923251623955515,18.684069563166368,0.372636025142361,0.8639749733962792,3.713405766125526,1.9479242285547578,1.16237982483513,0.5441916295305234,0.2854641067801283,0.4719940266922703,0.45988305416278474,0.41355946381056874,6.823709819515413,13.814048829841191,29.045755305258886,0.3162874442957849,1.3454365446656238,3.39354449955377,1.6250341426300796,0.9439967783709518,0.5691407253072549,0.27253896647212134,0.39632704010834946,0.3237666969513641,0.2725989216700478,5.962575420554801,10.252147746532202,21.42051203944479,0.3537110879608823,0.9926926587297613,3.8002540793791537,2.0350365430116115,1.2214714376928293,0.5385266000217295,0.28838106282805637,0.4936913889887028,0.5003013073933739,0.456732978323136,7.056762060083594,14.861296750152661,31.364498630670532,0.3077899000325942,1.4507256747052126,3.7386304225664913,1.9458388114979055,1.163264085533329,0.5459661245666207,0.28415808862314385,0.4783692459023257,0.45903364298799415,0.4145899183073814,6.847733319597725,13.887311083382956,29.197525608174367,0.31894918684993107,1.3519928071977012 +UMLCN0024,L,beta-pinene,CC1(C2CCC(=C)C1C2)C,Olefins,Cyclic,C10H16,NREL (2014),IQT,PubChem,,21.3,0,1.3694999999999995,1.8755302499999986,43.3169,28.268687999999976,0,0,26,10,16,0,10,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1458.8982339999982,1780.6187389999993,2633.170864000001,2478.8415250000025,1314.8249569999957,317.0734560000011,26.417664000000002,0.0,0.0,4732.508928388178,6494.471781170922,10070.259897932072,11438.651369206016,8514.483661303988,3820.1244648972865,808.1773552041864,0.0,0.0,182.90058400000007,196.82778800000006,372.89132800000004,513.9753160000004,606.9783560000006,419.0071679999998,174.68006400000004,0.0,0.0,35.002806477583995,48.494608960000015,78.02068110848995,95.26550023848986,81.17360283456388,42.506809514262045,11.559935526074007,0.0,0.0,4226.625993287985,3844.698680396401,7859.072458217892,11000.507987344588,14334.644448116369,10548.689374318164,4807.858952630474,0.0,0.0,47.645833333333336,55.97222222222222,88.86111111111111,129.0972222222222,136.83333333333331,86.66666666666667,26.0,0.0,0.0,56.11147053846147,65.94884218518516,50.63790123076925,34.42835451388893,15.112930540229836,5.1979255081967395,1.016064,0.0,0.0,182.01957416877607,240.53599189521935,193.65884419100138,158.8701579056391,97.86762829085043,62.62499122782437,31.083744430930246,0.0,0.0,7.034637846153848,7.289918074074076,7.170987076923078,7.138546055555561,6.976762712643685,6.868969967213111,6.718464000000002,0.0,0.0,1.3462617875993845,1.7960966281481487,1.5003977136248068,1.3231319477568038,0.9330299176386653,0.6968329428567548,0.4446129048490003,0.0,0.0,162.56253820338404,142.39624742208892,151.13600881188253,152.78483315756372,164.7660281392686,172.92933400521582,184.917652024249,0.0,0.0,1.8325320512820513,2.0730452674897117,1.7088675213675215,1.7930169753086416,1.5727969348659,1.4207650273224044,1.0,0.0,0.0,0.04520257696870642,-0.007299809259082157,0.003546734580767968,-0.015517284942728768,-0.017691784628380357,-0.012756663133858199,0.02711751889892831,0.0,0.0,745.0215938461533,45.847482698224695,167.6298586153844,-628.9701532662726,-444.1474886390537,21.491007514793104,465.63849615384646,0.0,0.0,1385.3994673182933,85.25535183497247,311.7148801466167,-1169.596857986021,-825.9112209012919,39.96344617264148,865.8746670739325,0.0,0.0,0.14594461538461523,0.008981207100594052,0.03283753846154089,-0.12321093491123965,-0.08700544378698331,0.004209940828399072,0.09121538461538177,0.0,0.0,6.1933802144553844,0.3811310901203475,1.3935105482524783,-5.228642142588281,-3.692207435540725,0.17865519849388098,3.870862634034597,0.0,0.0,33.64253962122456,2.070310130536753,7.569571414775385,-28.402067103303224,-20.056129389576185,0.970457873689357,21.02658726326552,0.0,0.0,5.549412393162392,-1.6829902202498375,1.1690705128205117,-1.8168556870479948,0.09133588099934227,-2.4650209566074963,1.9297542735042748,0.0,0.0,0.0017385606526425547,-2.703633058919317E-4,6.820643424553785E-5,-2.1551784642678844E-4,-2.033538463032225E-4,-2.0912562514521636E-4,0.0010429814961126272,0.0,0.0,28.654676686390513,1.698054914749063,3.2236511272189308,-8.735696573142675,-5.10514354757533,0.35231159860316563,17.909172928994096,0.0,0.0,53.284594896857435,3.157605623517499,5.994516925896475,-16.2444008053614,-9.493232424152781,0.6551384618465816,33.30287181053587,0.0,0.0,0.005613254437869817,3.326373000220019E-4,6.314911242604017E-4,-0.0017112629848783285,-0.001000062572264176,6.901542341637823E-5,0.0035082840236685298,0.0,0.0,0.2382069313252071,0.014115966300753612,0.026798279774086123,-0.07262002975817057,-0.04243916592575546,0.0029287737458013273,0.14887933207825374,0.0,0.0,1.2939438315855598,0.07667815298284271,0.14556868105337278,-0.3944731542125448,-0.2305302228686918,0.015909145470317326,0.8087148947409815,0.0,0.0,0.21343893819855353,-0.06233297112036435,0.0224821252465483,-0.025234106764555484,0.001049837712636118,-0.040410179616516335,0.07422131821170287,0.0,0.0,-0.15550984976048343,0.03923155291813738,-0.12396337516278678,-0.11696678283506036,-0.12028664333760937,0.5999109059136533,0.0,0.0,0.0592592592592591,0.11249999999999993,-0.3048611111111115,-0.1781609195402302,0.01229508196721324,0.6250000000000009,0.0,0.0,0.059259259259259664,0.11250000000000025,-0.30486111111111114,-0.17816091954023025,0.012295081967212624,0.6249999999999994,0.0,0.0,0.059259259259274735,0.11250000000000844,-0.30486111111110414,-0.17816091954023225,0.012295081967203504,0.6249999999999812,0.0,0.0,0.05925925925926177,0.11250000000000136,-0.30486111111111025,-0.1781609195402306,0.012295081967211439,0.6249999999999971,0.0,0.0,0.05925925925925518,0.11249999999999792,-0.30486111111111314,-0.17816091954022997,0.012295081967215484,0.6250000000000051,0.0,0.0,-0.29204123505514507,0.10533281994513156,-0.11822635071901091,0.004918679419495129,-0.18932899478221915,0.34774028974346666,0.0,0.0,1.3514535429025054,0.8698847986939463,1.1307030428409908,1.090554109605404,1.0416871694085774,0.13250003290009343,0.0,0.0,1.203703703703705,1.0156250000000016,1.3823784722222243,1.0739942528735649,0.7658811475409847,0.0,0.0,0.0,1.2037037037037033,1.0156249999999993,1.3823784722222212,1.0739942528735626,0.7658811475409832,0.0,0.0,0.0,1.2037037037037033,1.0156249999999996,1.3823784722222223,1.073994252873563,0.7658811475409832,0.0,0.0,0.0,1.203703703703704,1.0156250000000002,1.3823784722222208,1.0739942528735624,0.7658811475409838,0.0,0.0,0.0,1.2037037037037046,1.0156250000000009,1.3823784722222223,1.0739942528735633,0.7658811475409844,0.0,0.0,0.0,1.5734991862440488,0.5351470375896427,1.164916601156193,0.9867232721416644,1.3929337058553874,0.0,0.0,0.0,40.88795188193378,19.883476449443013,27.627115867759272,40.88795188193377,4.0887951881933775,19.88347646164737,-7.105427357601002E-15,0.025365077392799196,0.0025365077392799197,-3.6743819568031792,158.41650446495356,15.841650446495356,5.065227668806924,40.88795188193378,19.883476449443013,27.627115867759272,40.88795188193377,4.0887951881933775,19.88347646164737,-7.105427357601002E-15,0.025365077392799196,0.0025365077392799197,-3.6743819568031792,158.41650446495356,15.841650446495356,5.065227668806924,40.88795188193378,19.883476449443013,27.627115867759272,40.88795188193377,4.0887951881933775,19.88347646164737,-7.105427357601002E-15,0.025365077392799196,0.0025365077392799197,-3.6743819568031792,158.41650446495356,15.841650446495356,5.065227668806924,40.88795188193378,19.883476449443013,27.627115867759272,40.88795188193377,4.0887951881933775,19.88347646164737,-7.105427357601002E-15,0.025365077392799196,0.0025365077392799197,-3.6743819568031792,158.41650446495356,15.841650446495356,5.065227668806924,40.88795188193378,19.883476449443013,27.627115867759272,40.88795188193377,4.0887951881933775,19.88347646164737,-7.105427357601002E-15,0.025365077392799196,0.0025365077392799197,-3.6743819568031792,158.41650446495356,15.841650446495356,5.065227668806924,40.88795188193378,19.883476449443013,27.627115867759272,40.88795188193377,4.0887951881933775,19.88347646164737,-7.105427357601002E-15,0.025365077392799196,0.0025365077392799197,-3.6743819568031792,158.41650446495356,15.841650446495356,5.065227668806924,59.337289101378325,27.694668215992724,39.4716185118661,59.07784465693388,5.907784465693387,27.694668215999602,-0.6486111111111228,0.08128478374099274,0.008128478374099274,-2.509796441802746,79.84827031730437,7.984827031730437,4.380128212777117,0,11.899999999999999,12.100171725916237,-0.1295626345144826,0.07255188593317813,6.44005420353221,9.812010105922624,11.0,27.0,26.0,26.0,10.0,1.0,1.0,0.0,0.0,1.0,17.491311999999997,3.888198681360019,3.1714059333841376,2.8162293745547373,2.607985764233118,2.3335527931030486,1.8880760847864584,1.4566370938286024,1.1885280917456555,2.1223597730858406,1.606522506414417,1.351545987434658,1.2853604963963476,1.2496297225843558,0.8104431769221443,0.5669773302599902,0.4449195451403997,3.902897641637696,3.197031354198262,2.8516267960317476,2.655883624388668,2.405454587841289,1.9528953925844912,1.5437265735220789,1.2917333041929477,2.085478293776804,1.5370696388472518,1.272965802799946,1.1929624732614836,1.1345406859483504,0.6868752792863995,0.43001690187098024,0.29556037287450215,3.9690597527672256,3.3169956909198777,3.0095109932474498,2.864918650475879,2.704236987233521,2.2396194941292835,1.9089794600768475,1.7148054327085085,1.9826133493565563,1.342282774712099,1.0412916897937934,0.9059411206450326,0.7603185604308972,0.29605927270511423,0.022475196243937234,0.2074424831129931,3.913800811214318,3.2163117705763975,2.8778553515774004,2.6911592011389,2.4575399160416946,2.000951171012362,1.6071468339632544,1.3663211890452343,2.0625244055427023,1.4935373048322163,1.2228475654058386,1.1327091488290721,1.05826267053271,0.605648328589671,0.3386373190231252,0.19523856092335803,4.002352879205111,3.3793923493958964,3.0871072365029013,2.9644001107365257,2.8389820851496497,2.3763389786083873,2.0734293099161407,1.9005812950150378,1.952034234791065,1.2855156880291676,0.9692603156802353,0.8124275857523712,0.6313372621875594,0.1673621707413934,0.18025407504965096,0.3871453394706937,3.8731516547731846,3.3985069813152804,2.9704121488174278,2.6909794522380777,2.634654398051785,2.1118239863890786,1.6406659010066211,1.4151796892558273,2.1413147476816117,1.4184223079979834,1.0866028694382044,1.078102059989615,0.8785568370761795,0.43312867938233385,0.25335567202180515,0.10094685625038526,0,0,1,0,1,2,3,2,1,0.0,0.11785113019775793,0.3870769754728264,0.7599464562366187,1.1785282193751274,0.0,0.11785113019775793,0.3779611588277282,0.6868867239266071,0.9592006366738044,1.4085745604136397,0.16666666666666666,0.6482714609831186,0.15137471507731048,1.301420809733738,0.16666666666666666,0.5819484730857797,0.1422588984322123,3.2601537981019817,4.315448629870108,4.893089478405045,2.9304930963315914,3.5834073479325705,3.7640932653818395,7.3533711511285205,4.621027033568037,4.915120116176562,4.203665235117362,3.059150442964914,2.0486160172372854,1.145707648532015,0.3402069087198858,0.735337115112852,0.42009336668800334,0.27306222867647567,0.16814660940469447,0.10925537296303264,0.06828720057457618,0.052077620387818865,0.03402069087198858,6.983127663125442,4.297877056362576,4.503502173320055,3.7772396094204823,2.614664020020498,1.6850561706391678,0.8722821298759059,0.2773689270621825,0.6983127663125442,0.3907160960329614,0.2501945651844475,0.1510895843768193,0.09338085785787494,0.05616853902130559,0.03964918772163209,0.027736892706218253,14.334622430286998,25.102694828841948,23.80392156862746,24.079999999999995,16.388435928143707,197.71142994011979,0.5513316319341153,0.9654882626477672,0.91553544494721,0.926153846153846,0.630324458774758,7.604285766927684,2.9248900000000013,43.48200000000001,47.520166608432035,65.02412398781581,95.04033321686408,9.504033321686407,47.520166608432035,0.004736954432474683,4.7369544324746824E-4,-5.352360874577041,61.98482058328263,6.1984820583282625,4.126889525767612,74,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,7.0,2.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,3.0,0.0,0.0,0.0,2.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.6495601851851855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.31756944444444446,0.0,0.0,0.0,1.7442361111111113,0.5805555555555556,0.0,0.31756944444444446,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.797962962962963,4.128726851851852,4.145763888888888,0.0,0.0,0.0,1.8835648148148145,0.0,0.0,1.5208333333333335,0.0,0.0,0.6064814814814814,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5208333333333335,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.31756944444444446,0.0,0.0,0.0,0.22562500000000002,0.2902777777777778,0.0,0.31756944444444446,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3989814814814814,4.128726851851852,1.3043287037037037,0.0,0.0,0.0,0.8668981481481479,0.0,0.0,1.5208333333333335,0.0,0.0,0.6064814814814814,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.128726851851852,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.31756944444444446,0.0,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.31756944444444446,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3989814814814814,4.128726851851852,1.4363425925925926,0.0,0.0,0.0,1.0166666666666666,0.0,0.0,1.5208333333333335,0.0,0.0,0.6064814814814814,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.083333333333336,1.7083333333333335,0.31756944444444446,4.128726851851852,-0.005208333333333315,0.6064814814814814,6.118578842592592,0.6435185185185186,1.128726851851852,3.8533796296296297,0.6435185185185186,1.128726851851852,3.8533796296296297,5.0,0.5,0.0,0.0,0.45385,0.7,0.44286,0.44286,0.7,0.01099,0.01099,-0.0,0.0,0.71429,0.0,0.0,0.3,0.3,0.1,6.5,0.65,5.5,0.55,1.0,0.1,-4.5,-0.45,0.0,0.0,10.60825,1.06083,12.14436,1.5361,0.15361,4.13471,0.41347,4.62101,0.4863,0.04863,0.29299,0.0293,0.37899,0.0379,0.2692307692307692,31.0,0,0,0,0,0,0,0.8,0.961236604722876,2.4195562985716133,3.565448371820826,3.719294525666979,3.719294525666979,3.6423714487439023,24.992151722794777,62.90846376286194,92.70165766734148,96.70165766734145,96.70165766734145,94.70165766734146,0.2044992941858259,0.5147510538712935,0.7585350702531448,0.7912652323382774,0.7912652323382774,0.7749001512957111,3.739203113418217,2.2808834195694794,1.1349913463202665,0.9811451924741137,0.9811451924741137,1.0580682693971903,0.19995124560336303,0.5033030300030386,0.7416653086006749,0.7736675543970608,0.7736675543970608,0.7576664314988678,6.796774065078518,20.61971471985816,22.620125355864477,22.77517536078756,22.775175360787557,21.852098437710637,38.708443915244516,20.64166597033769,18.184625854036337,17.661413633069852,17.661413633069852,18.907770426058047,6.694214876033058,1.7777777777777777,0.7168,0,2,0,2.56,1.2574000000000003,0.944940787421155,2.9438981895451706,4.112265278882604,2.080083823051904,1.6509636244473134,5.853800636117529,1.3103706971044482,1.6509636244473134,2.381101577952299,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.16299999999999998,0.175,0.28600000000000003,0.54,4.478,18.0,25.0,28.0,30.0,22.0,10.0,2.0,0.0,0.0,156.0,2.5649493574615367,3.044522437723423,3.367295829986474,3.5263605246161616,3.6109179126442243,3.4339872044851463,2.5649493574615367,1.6094379124341003,0.0,0.0,5.225746673713202,1.185897435897436,0.25,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,1.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.18181818181818182,0,3.0,4.0,0.3333333333333333,3.5,2.222222222222223,1.75,0.4444444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.3181818181818182,0.13888888888888895,0.1346153846153846,0.08888888888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.6805749805749807,20.896004226826825,28.836571795309,42.91636531087673,4.291636531087672,20.89600423107258,0.051674335108024105,0.005167433510802411,-2.9627940402987454,358.6273806761197,35.86273806761197,5.882283912623502,0.0,154.16692885706686,4.321928094887363,4.07753744390572,4.976733742420574,5.921578419643816,6.844815479208263,7.791109510610028,8.718500048121273,9.665293813175541,10.59355499556915,11.54053090432943,91.12965435698379,3.1354942159291497,0.0,4.634728988229636,0.0,6.385194398997726,0.0,8.219056661060598,0.0,10.080084421193217,10.250581747317963,136.125200512,5.235584635076923,19.922985656407736,1.9922985656407737,0.0,0.0,0.0,102.0,13.0,4.2219999999999995,58.0,1.2640161870337034,2.185006382371852,2.9929855727061616,3.602340470663754,4.197093939013195,4.840823287657237,0.0,0.0,0.0,0.0,95.30475174952214,120.95409571311872,106.53062302516902,57.36225387587758,22.59575571304176,4.918586272950164,0.0,0.0,0.0,0.0,331.948937990672,451.1403145771779,486.1284799241351,362.24486910385787,268.7228258141626,150.47091390883318,0.0,0.0,0.0,0.0,9.252794687919968,15.726243257603915,21.392375637534983,25.16009076139428,28.857769231158063,32.5228969884868,0.0,0.0,0.0,0.0,2.421713796204961,3.4448158731682668,4.027058838977307,3.424365624065562,2.97169166446496,2.1522925037859713,0.0,0.0,0.0,0.0,177.61162073789225,326.177947013679,455.31479327981117,591.4914180364162,723.5658219113529,895.1536762178819,0.0,0.0,0.0,0.0,2.650678782815402,3.8671297831848643,5.456743441389906,5.7779763129877235,6.03757635328676,4.840823287657237,0.0,0.0,0.0,0.0,0.49858910520645844,0.7160388481192158,0.8486629600196234,0.7388383958245699,0.657207639677451,0.4957003046561012,0.0,0.0,0.0,0.0,325.8798930510533,157.99060534313426,10.569398056039514,75.16227698790104,-36.43960211569866,-4.469708354545867,250.71761606315224,194.4302074588329,15.039106410585381,0.8125826095031345,0.3939501058648975,0.026354829605607012,0.1874173904968655,-0.09086227044941231,-0.011145232817066876,130.69157948125675,63.36089521257857,4.238774332399592,30.14324266829679,-14.61381710783586,-1.792541537948318,0.11024690280699521,0.20454558050641877,3.2973756369105343,3.885340332016474,401.0421700389543,0.0,1.0,0.0,721.9453912230362,26.869041501755067,8.970874535090072,877.3625931188491,29.620307107098824,9.57325670709908,1378.175468594541,37.12378575245985,11.128454088430775,1.1734440715875742,1.1730300580718782,415.2081052885359,361.20365388219426,242.44984589061195,1.1495124726062573,1.7125525642770203,1.4898077272656276,3.910724995776793,3.6563106325040025,6.387730674434771,0.7470426658087778,4.6257412007538505,8.933405245442009,6.8592902878961715,24.729504239617327,12.135302826195703,16.370565081118677,16.355464216676882,11.543172222825278,6.6149628419033,4.202112817176948,1.5848517243615867,0.2835292161861743,5.2413226368164426E-17,1.8687873832013113E-54,1.285152890844198E-113,1.7046122550269744E-194,4.360861764897883E-297,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3882168184942056,8.039395789437775,1.7640810320529083,8.957108963708343,1.672581651433422,2.200128387964955,1.6995017491842388,1.2607759067604891,0.13168699283609367,0.15036921102558837,0.011162606370683593,0.001996919452446454,3.691506388933852E-19,1.3162022341820234E-56,9.051436891108354E-116,1.2005723490262197E-196,3.071390597728179E-299,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2531853423467774,8.099135775131495,2.553498326608227,11.281920987155942,3.1340558212879435,4.424759156835527,3.527852804110054,2.6531066304943924,0.7040883514016213,0.6187014945972417,0.11632009041203667,0.02080944032748267,3.8468342739076924E-18,1.3715842077433322E-55,9.432295109987424E-115,1.2510889522999788E-195,3.200625808292569E-298,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.366322802288691,8.835251015543106,6.45870292174758,23.447424855245835,11.256276345396726,15.266795253618877,15.04671973649463,10.66374594333851,5.952391806301145,3.8271665045021352,1.412074605535631,0.2526194270915982,4.669924107028796E-17,1.6650559136393607E-54,1.1450480884375386E-113,1.5187788301699177E-194,3.885449321564054E-297,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8469592787352245,8.176591350677217,3.1698238684409517,13.143477633890758,4.337493071846887,6.150199143655238,5.12834951168257,3.818680092272048,1.3200035052912626,1.046706824237563,0.2526618789727865,0.04520088508662737,8.355838082418799E-18,2.979264179390786E-55,2.0488205384679575E-114,2.7175323831931853E-195,6.952186944444708E-298,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.586250983055173,9.346130428890422,8.443154388864418,29.83583438715466,15.660748094527506,20.725590065796027,21.668402557054588,15.083086069793909,9.369812963843072,5.7344573393617315,2.3113560990390427,0.4135007152858442,7.64397647805147E-17,2.725450766821485E-54,1.8742747106062066E-113,2.486016771815986E-194,6.359907043455841E-297,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0030338002073544,6.263551538879733,3.390867658652959,15.870542155697434,5.7551204018575834,8.87455242828622,8.761098416873313,5.933466698797392,2.9221527187801177,2.263479991743563,0.5430561190076155,0.09715218829460819,1.7959558826926057E-17,6.403459445115736E-55,4.403617282131219E-114,5.8409081433404944E-195,1.4942631627490661E-297,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.7864286710374246,1.7330151003160728,1.222243896733166,0.4852978483181693,0.30183026324271933,0.4547504219850126,0.540554955595467,0.49431670165132535,5.741687668086663,10.352785529027038,21.99659481626581,0.2279467724772539,1.489622079231805,1.9674464688565303,1.0895835931063436,0.6962301572308512,0.5241966594256491,0.29030323757845056,0.22861451507314473,0.21811674159638142,0.1495390342217605,3.7532602191937254,4.272093913480937,9.517860905506003,0.28629498913847373,0.5962702908912867,2.267096433150666,1.3273137762581806,0.895032029060871,0.5049839852541314,0.29565226719803217,0.301636853638357,0.32071824801992926,0.2553953275505306,4.489442238469717,6.2262605908309725,13.408986962900514,0.25747597788119697,0.8777504292088169,2.7634180492661855,1.7151437228441082,1.208121583873344,0.4859454758208867,0.30160703796517896,0.44724411380138174,0.5296486399649154,0.4824214223163605,5.686683355983638,10.150306262389508,21.563074102405338,0.22891821373133,1.4593141760826576,2.411096499975983,1.4404090977397594,0.987710621274609,0.4982411181616992,0.2976533869446083,0.3406902015439877,0.37623581577803333,0.3150623494011521,4.839216218990352,7.277138320856348,15.546639287649764,0.24736167724254882,1.0319883667231733,2.8594674014025863,1.7896962367168208,1.2668731327580809,0.4833417221946137,0.3025160772371884,0.4790228749020495,0.5759047351159525,0.5327956710701327,5.916036770877488,11.007478550233925,23.406837454034218,0.22501258329192056,1.5877232810881348,2.7814771126040174,1.7234793018870804,1.2092815779529782,0.4867625598167172,0.3016113966842181,0.4527994299606008,0.5379268182550467,0.48235433841574854,5.714237992444076,10.24157903377085,21.75289310252472,0.2301438397250758,1.473080586631396 +UMLCN0025,L,alpha-pinene,CC1=CCC2CC1C2(C)C,Cycloalkenes,,C10H16,NREL (2014),IQT,PubChem,,23.1,0,1.516199999999999,2.298862439999997,44.5386,28.268687999999976,0,0,26,10,16,0,10,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1458.8982339999982,1780.6187389999993,2622.079840000001,2464.702309000004,1324.8999169999959,331.21267200000113,27.433728000000002,0.0,0.0,4732.508928388178,6494.471781170922,9986.607025992485,11261.747263973637,8567.052788812645,3997.028570129666,839.2610996351166,0.0,0.0,182.90058400000007,196.82778800000006,372.49216,493.4207560000004,600.6590600000006,439.56172799999973,181.39852800000006,0.0,0.0,35.002806477583995,48.49460896000001,77.35174970333892,93.26273011879186,81.39792133486588,44.50957963396006,12.004548430923007,0.0,0.0,4226.625993287985,3844.698680396401,7890.867562529241,10477.550135583191,14117.93169178077,11071.647226079562,4992.776604654723,0.0,0.0,44.395833333333336,54.888888888888886,88.86111111111111,121.88888888888886,130.0,86.0,27.0,0.0,0.0,56.11147053846147,65.94884218518516,50.42461230769232,35.720323318840634,15.405812988372045,5.175198000000018,1.016064,0.0,0.0,182.01957416877607,240.53599189521935,192.0501351152401,163.21372846338605,99.61689289317029,62.453571408276034,31.083744430930242,0.0,0.0,7.034637846153848,7.289918074074076,7.16331076923077,7.151025449275368,6.984407674418612,6.868151999999996,6.718464000000002,0.0,0.0,1.3462617875993845,1.7960966281481485,1.4875336481411332,1.3516337698375633,0.9464874573821614,0.6954621817806259,0.4446129048490003,0.0,0.0,162.56253820338404,142.39624742208892,151.74745312556232,151.84855268961147,164.16199641605547,172.99448790749315,184.917652024249,0.0,0.0,1.7075320512820513,2.0329218106995883,1.7088675213675215,1.766505636070853,1.5116279069767442,1.34375,1.0,0.0,0.0,0.04036916882260135,-0.002397781637920669,0.001990695553763962,-0.021184549156865577,-0.013804492146902308,-0.007026007828829874,0.022237550805453792,0.0,0.0,745.0215938461533,45.847482698224695,214.193708230769,-636.1338224378702,-508.62051118343226,28.654676686390744,483.54766908284057,0.0,0.0,1385.3994673182933,85.25535183497247,398.3023468540099,-1182.918006710235,-945.8015594192211,53.28459489685574,899.1775388844684,0.0,0.0,0.14594461538461523,0.008981207100594073,0.04195907692307919,-0.12461424852070695,-0.09963526627219016,0.005613254437866358,0.0947236686390503,0.0,0.0,6.1933802144553844,0.38113109012034796,1.7805968116559385,-5.288193875419581,-4.228173031022438,0.23820693132518134,4.019741966112851,0.0,0.0,33.64253962122456,2.0703101305367566,9.672230141101927,-28.725553061199626,-22.96750301064371,1.2939438315857537,21.8353021580065,0.0,0.0,3.5622329059829045,-1.292457675871137,1.2411858974358967,-1.7968339086127552,-0.19676610782380244,-1.4672912557527988,1.7310465976331348,0.0,0.0,0.0015526603393308212,-8.880672733039515E-5,3.828260680315312E-5,-3.0702245154877645E-4,-1.6051735054537568E-4,-1.0978137232546677E-4,8.236129927945849E-4,0.0,0.0,28.654676686390513,1.698054914749063,4.119109773668635,-9.219330759969134,-5.914191990505026,0.44772932322485537,17.909172928994096,0.0,0.0,53.284594896857435,3.157605623517499,7.659660516423267,-17.143739227684566,-10.997692551386292,0.8325717952633709,33.30287181053587,0.0,0.0,0.005613254437869817,3.326373000220027E-4,8.069053254438305E-4,-0.001806003601749376,-0.0011585496078161646,8.770710059166184E-5,0.0035082840236685293,0.0,0.0,0.2382069313252071,0.014115966300753627,0.03424224637799882,-0.07664049094810987,-0.049164802686307414,0.0037219833019559584,0.14887933207825374,0.0,0.0,1.2939438315855598,0.07667815298284283,0.18600442579042167,-0.4163123632057917,-0.2670639884958571,0.0202178723685274,0.8087148947409815,0.0,0.0,0.1370089579224194,-0.04786880281004211,0.023868959566074936,-0.02604107113931529,-0.002287977997951191,-0.022926425871137482,0.06411283694937536,0.0,0.0,-0.05719649370877202,0.024656137490864538,-0.1977396110221374,-0.1033821412702258,-0.07070533686252416,0.5304527796140865,0.0,0.0,0.0592592592592591,0.14374999999999996,-0.321739130434783,-0.20639534883720956,0.015625000000000125,0.6250000000000009,0.0,0.0,0.059259259259259664,0.1437500000000002,-0.32173913043478264,-0.20639534883720967,0.015624999999999502,0.6249999999999994,0.0,0.0,0.05925925925927487,0.1437500000000079,-0.3217391304347749,-0.2063953488372112,0.015624999999990372,0.6249999999999811,0.0,0.0,0.059259259259261836,0.14375000000000124,-0.32173913043478164,-0.20639534883720986,0.01562499999999831,0.6249999999999971,0.0,0.0,0.05925925925925528,0.14374999999999802,-0.3217391304347848,-0.20639534883720953,0.015625000000002342,0.6250000000000051,0.0,0.0,-0.3493844748249787,0.1742145909874784,-0.19006838336848683,-0.016699477411153994,-0.16733523281097756,0.4679463147634399,0.0,0.0,1.2664402438087314,1.007590000327309,1.304642558902497,1.0250956512609029,0.9067615758010426,0.08148629541361481,0.0,0.0,1.203703703703705,0.9765625000000014,1.4130434782608718,1.1101017441860481,0.761718750000001,0.0,0.0,0.0,1.2037037037037033,0.9765624999999994,1.4130434782608685,1.1101017441860457,0.7617187499999996,0.0,0.0,0.0,1.2037037037037033,0.9765624999999996,1.4130434782608694,1.1101017441860466,0.7617187499999997,0.0,0.0,0.0,1.203703703703704,0.9765625000000002,1.4130434782608683,1.1101017441860457,0.7617187500000002,0.0,0.0,0.0,1.2037037037037046,0.976562500000001,1.4130434782608698,1.1101017441860466,0.7617187500000008,0.0,0.0,0.0,1.6931454960996846,0.6649733823198622,1.2904603407975852,0.9395962621906887,1.1696783384569247,0.0,0.0,0.0,39.92381682931435,19.719978395628438,27.456602703070722,39.92381682931435,3.992381682931435,19.71997840799141,7.105427357601002E-15,0.03559364594927328,0.0035593645949273276,-3.335588141625394,145.9385937061694,14.59385937061694,4.983185942181477,39.92381682931435,19.719978395628438,27.456602703070722,39.92381682931435,3.992381682931435,19.71997840799141,7.105427357601002E-15,0.03559364594927328,0.0035593645949273276,-3.335588141625394,145.9385937061694,14.59385937061694,4.983185942181477,39.92381682931435,19.719978395628438,27.456602703070722,39.92381682931435,3.992381682931435,19.71997840799141,7.105427357601002E-15,0.03559364594927328,0.0035593645949273276,-3.335588141625394,145.9385937061694,14.59385937061694,4.983185942181477,39.92381682931435,19.719978395628438,27.456602703070722,39.92381682931435,3.992381682931435,19.71997840799141,7.105427357601002E-15,0.03559364594927328,0.0035593645949273276,-3.335588141625394,145.9385937061694,14.59385937061694,4.983185942181477,39.92381682931435,19.719978395628438,27.456602703070722,39.92381682931435,3.992381682931435,19.71997840799141,7.105427357601002E-15,0.03559364594927328,0.0035593645949273276,-3.335588141625394,145.9385937061694,14.59385937061694,4.983185942181477,39.92381682931435,19.719978395628438,27.456602703070722,39.92381682931435,3.992381682931435,19.71997840799141,7.105427357601002E-15,0.03559364594927328,0.0035593645949273276,-3.335588141625394,145.9385937061694,14.59385937061694,4.983185942181477,49.217582210695866,24.407587418692305,35.12811695747533,49.01541554402921,4.90154155440292,24.407587418793494,-0.3369444444444518,0.18068463496075404,0.018068463496075403,-1.7110021156536424,74.02027555913978,7.402027555913977,4.304339049717087,0,11.889999999999997,12.110155106233554,-0.1534233779872997,0.06930043050764456,6.577301475033559,9.816076601911503,11.0,27.0,26.0,26.0,10.0,1.0,1.0,0.0,0.0,1.0,17.491311999999997,3.9020543255496865,3.173607675336636,2.749668338547524,2.5642768725578624,2.3335527931030455,2.07344436734971,1.4125680104726135,1.1595880957291491,2.125583559236926,1.6065808858319746,1.3955799065316083,1.2496297225843553,1.2242167651870177,0.8516142911972554,0.5226463069043477,0.4212169944980616,3.9159828674632835,3.198696864686234,2.7921618408354183,2.609682837826074,2.40545458784129,2.1336377386072116,1.4983545517635601,1.2607023845015872,2.090110826650921,1.5368016942226868,1.3029653271870278,1.134540685948351,1.1317771537118644,0.7509283134957835,0.3839665891208369,0.26985435614829417,3.9788237159655715,3.317045017954322,2.984187961445791,2.8098541158525614,2.7042369872335192,2.384397440557617,1.8605378952613634,1.682509343600509,1.991730113879136,1.3421503900077314,1.0230151113829289,0.8495758751430428,0.7603185604309,0.43163373779647846,0.07104295896054279,0.23915642203861145,3.926321627494026,3.2176222447357525,2.823832491050003,2.643220976796845,2.4575399160416924,2.1772786477849606,1.560959118501914,1.3343163870012686,2.0680884363228578,1.4931450148727432,1.2431483098897371,1.0719164532527856,1.0582626705327118,0.684997995003871,0.2916534692613609,0.1681876564974367,4.010549246358008,3.3790749955009325,3.0789158104524628,2.9064454939095077,2.838982085149649,2.4980621937310263,2.0249227404636176,1.8699077552921535,1.9626280074684974,1.2858613946681519,0.9350206742058794,0.7592467981922996,0.6313372621875604,0.32310336285140523,0.2283163026893621,0.4199225082856444,3.8824436336935304,3.31727011073059,2.9024864473490566,2.6887193836787944,2.6626201061762576,2.259781596034737,1.62096436493047,1.415882367096091,2.119109829047946,1.3671490775821058,1.134602197822431,1.0053772868665547,0.8535748800456069,0.5808506864397512,0.18426959940911466,0.03295185718525424,0,0,0,1,1,3,2,2,1,0.0,0.11785113019775793,0.3870769754728264,0.7599464562366187,1.1785282193751274,0.0,0.11785113019775793,0.3779611588277281,0.6672275854366428,0.9260218308891833,1.4085745604136395,0.16666666666666666,0.6482714609831186,0.15137471507731048,1.323749909102998,0.16666666666666666,0.5898430018766757,0.1422588984322123,3.2601537981019817,4.315448629870108,4.893089478405043,2.971157092314612,3.6178525640191204,3.7670928187340023,7.3533711511285205,4.621027033568037,4.9151201161765625,4.203665235117361,3.059150442964914,2.0486160172372854,1.145707648532015,0.3402069087198858,0.735337115112852,0.42009336668800334,0.27306222867647567,0.16814660940469445,0.10925537296303264,0.06828720057457618,0.052077620387818865,0.03402069087198858,7.146264369941973,4.287693700234705,4.4904220897451195,3.744517165725251,2.5412403808672757,1.5796546907577818,0.8446554443987059,0.24056261216234412,0.7146264369941973,0.3897903363849732,0.24946789387472887,0.14978068662901003,0.09075858503097413,0.052655156358592727,0.03839342929085027,0.02405626121623441,14.334622430286998,25.102694828841948,23.80392156862746,24.079999999999995,16.388435928143707,197.71142994011979,0.5513316319341153,0.9654882626477672,0.91553544494721,0.926153846153846,0.630324458774758,7.604285766927684,2.9248900000000013,43.48200000000001,47.520166608432035,65.02412398781581,95.04033321686407,9.504033321686407,47.520166608432035,0.004736954432474905,4.7369544324749047E-4,-5.352360874576994,61.984820583282584,6.198482058328258,4.126889525767612,74,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,6.0,3.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,2.0,0.0,1.0,0.0,2.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.080439814814815,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2529166666666667,0.0,0.0,1.5186111111111111,0.8708333333333333,0.0,0.2529166666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.131412037037036,0.0,2.810185185185185,0.0,2.4346064814814814,0.0,1.9235648148148143,0.0,0.0,1.6458333333333335,0.0,0.0,0.6377314814814815,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6458333333333335,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2529166666666667,0.0,0.0,0.22562500000000002,0.2902777777777778,0.0,0.2529166666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.293449074074074,0.0,1.3425925925925926,0.0,2.4346064814814814,0.0,0.9224537037037035,0.0,0.0,1.6458333333333335,0.0,0.0,0.6377314814814815,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4346064814814814,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2529166666666667,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.2529166666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4189814814814814,0.0,1.4675925925925926,0.0,2.4346064814814814,0.0,1.0011111111111108,0.0,0.0,1.6458333333333335,0.0,0.0,0.6377314814814815,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.583333333333336,1.6583333333333337,0.2902777777777778,2.4346064814814814,-0.005208333333333315,0.6377314814814815,5.858665833333333,0.6122685185185185,0.43460648148148145,3.132037037037037,0.6122685185185185,0.43460648148148145,3.132037037037037,5.0,0.5,0.0,0.0,0.45385,0.7,0.44286,0.44286,0.7,0.01099,0.01099,-0.0,0.0,0.71429,0.0,0.0,0.3,0.3,0.1,6.5,0.65,5.5,0.55,1.0,0.1,-4.5,-0.45,0.0,0.0,10.96164,1.09616,12.14436,1.18272,0.11827,4.08466,0.40847,4.62101,0.53635,0.05364,0.29299,0.0293,0.37899,0.0379,0.2692307692307692,31.0,0,0,0,0,0,0,0.8,0.961236604722876,2.369541297597717,3.6902603909683838,3.6902603909683838,3.6902603909683838,3.6133373140453076,24.992151722794777,61.60807373754064,95.94677016517798,95.94677016517798,95.94677016517798,93.946770165178,0.2044992941858259,0.5041105597956295,0.7850883347628146,0.7850883347628146,0.7850883347628146,0.7687232537202483,3.739203113418217,2.3308984205433756,1.0101793271727089,1.0101793271727089,1.0101793271727089,1.087102404095785,0.19995124560336303,0.49289917969766334,0.7676280305488469,0.7676280305488469,0.7676280305488469,0.751626907650654,6.796774065078518,21.41486027051655,22.745914033055854,22.745914033055854,22.745914033055854,21.822837109978927,38.708443915244516,19.141563538235726,17.782037361138766,17.782037361138766,17.782037361138766,19.02839415412696,6.694214876033058,1.7777777777777777,0.7168,0,2,0,2.56,1.2574000000000003,0.944940787421155,2.9438981895451706,4.112265278882604,2.080083823051904,1.6509636244473134,5.853800636117529,1.3103706971044482,1.6509636244473134,2.381101577952299,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.16199999999999998,0.16299999999999998,0.3460000000000001,0.5489999999999999,4.5249999999999995,18.0,25.0,28.0,30.0,22.0,10.0,2.0,0.0,0.0,156.0,2.5649493574615367,3.091042453358316,3.4339872044851463,3.6635616461296463,3.8918202981106265,3.6635616461296463,3.044522437723423,1.6094379124341003,0.0,0.0,5.402677381872279,1.4166666666666667,0.25,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,1.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.2727272727272727,0,3.0,4.0,0.3333333333333333,3.5,2.222222222222223,1.75,0.4444444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.3181818181818182,0.13888888888888895,0.1346153846153846,0.08888888888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.6805749805749807,20.896004226826822,28.836571795309,42.916365310876714,4.291636531087672,20.896004231072578,0.051674335108024494,0.00516743351080245,-2.962794040298738,358.62738067612713,35.86273806761271,5.882283912623524,0.0,154.16692885706686,4.321928094887363,4.07753744390572,4.976733742420574,5.921578419643816,6.844815479208263,7.791109510610028,8.718500048121273,9.665293813175541,10.59355499556915,11.54053090432943,91.12965435698379,3.1354942159291497,0.0,4.634728988229636,0.0,6.385194398997726,0.0,8.219056661060598,0.0,10.080084421193217,10.250581747317963,136.125200512,5.235584635076923,19.922985656407732,1.9922985656407732,0.0,0.0,0.0,102.0,13.0,4.1770000000000005,58.0,1.2730911348082723,2.199900578023799,3.0522081348040047,3.7005550703945818,4.424265192766299,5.044821881228054,0.0,0.0,0.0,0.0,96.55520465423008,122.6260429226367,114.06262219483988,60.578111736941715,23.269572464767847,5.125861899928101,0.0,0.0,0.0,0.0,335.6550960733038,454.3778493598541,512.4643935239692,382.85364874952353,279.1254109945091,156.81195405565765,0.0,0.0,0.0,0.0,9.321036528368822,15.824704351257456,21.858495180009616,25.894633657722494,30.39995463698395,33.89345419544296,0.0,0.0,0.0,0.0,2.446278315524567,3.4624079690514358,4.212504684766991,3.6015578722087027,3.0994133055222464,2.2429929110586024,0.0,0.0,0.0,0.0,178.77397431601815,329.1639358242445,461.17159223361904,603.7671658123006,764.3038408965674,932.8766171572463,0.0,0.0,0.0,0.0,2.6343741852786513,3.8987795004765764,5.4666561253914425,5.695355605560297,5.971311503949383,5.044821881228054,0.0,0.0,0.0,0.0,0.5035504299963199,0.7195079402056485,0.886432969766511,0.7761705613264746,0.6859659771278466,0.516589760637753,0.0,0.0,0.0,0.0,324.1764953343381,150.2662412358303,9.690821506831332,58.24290250275846,-26.99746022217979,-2.9952765810655113,265.93359283157963,177.2637014580101,12.686098087896843,0.8476988802551045,0.3929357194894201,0.025340820998205324,0.15230111974489546,-0.07059647176600649,-0.00783243893486136,123.97138013869791,57.46472548865011,3.705958125189223,22.273215703389614,-10.32435248129696,-1.14545186648663,0.12333905646880135,0.1822209019697757,3.470667977158513,1.0315082942388032,382.41939783709654,0.0,1.0,0.0,701.5830335290267,26.48741273754435,8.88572822490757,856.787923131234,29.270939908572018,9.497831169279316,1326.5743066028429,36.422167791097266,10.98779446899887,1.2671903062369,1.2671903062369,432.9616767536283,399.83477120663713,251.11855991550755,1.082851487495746,1.7241325248890582,1.592215132729207,4.028890248886655,3.5354994137881404,6.547554941070189,0.8519462669220913,4.544113568666719,9.256989888825494,4.150684392480076,22.51325581808466,9.180196576649323,17.771657225448127,14.299987484754173,18.662981155965635,6.983673794635814,3.3239651723021417,1.9844036183726474,0.9048383147056753,1.2873845792095184E-9,4.007808935170663E-40,2.406476475925025E-92,2.7869689935945554E-166,6.225275245485111E-262,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3813984553793464,9.195245641945313,0.8253166284956421,11.290933001527891,0.9536919852998818,1.7639606459523427,1.2371426981741225,0.884603224217923,1.0504198016525659,0.12124592662806202,0.021537255155982142,0.006372850234834948,9.06715485473994E-12,2.8227326030047658E-42,1.6949010586175372E-94,1.9628850499201106E-168,4.384512256535764E-264,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2310973559383593,9.199372115324419,1.2957576573848233,13.028681038846848,2.141715073578948,4.331595589596847,3.0575847042703113,3.1997113710675547,1.5213352251633117,0.4953171918084435,0.16506951086613927,0.06641001294033805,9.448674439952903E-11,2.941505006158608E-41,1.7662175806379744E-93,2.0454775612495892E-167,4.568999818982127E-263,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.289275132272694,9.250211123758975,3.8734048808110004,21.630611743164664,8.50281198144369,16.54408414193958,13.201015764011425,17.109809302887328,6.358590167762604,3.028958301407356,1.77327405191287,0.8061946481077357,1.1470364825927429E-9,3.5708856064787128E-40,2.1441272149477765E-92,2.4831391979781293E-166,5.546608166720008E-262,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8143890132942089,9.204721760317826,1.6805603699426934,14.38577802669904,3.103097747705072,6.302004512031624,4.55844502851776,5.179066178566733,2.0643811016760076,0.8351457980872654,0.3399473072377809,0.14425142225248808,2.0523783478079223E-10,6.389341936770791E-41,3.8364605988447415E-93,4.443050593302626E-167,9.924478146866889E-263,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.487665594618925,9.285493547005528,5.261009704397508,26.003403082409477,11.885542673259904,22.59793149351599,18.708787951117404,24.941414182743287,9.595392741554614,4.528580287402894,2.869404497097185,1.3196216438702209,1.8775294183494435E-9,5.845012671758934E-40,3.5096197756923735E-92,4.064532353428109E-166,9.078978884380933E-262,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.9666961641859473,7.789068193177614,2.1040209386355677,16.6745190865302,4.711784062006512,9.202364781918515,7.693135405702761,8.876555210859959,3.8042780587947704,1.6714241857144954,0.7573448402377455,0.32902380575646367,4.68128025570492E-10,1.4573482656109067E-40,8.750602574005792E-93,1.0134176790424881E-166,2.263679289285259E-262,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0831691683123124,1.6885420226746188,1.4159387597268687,0.4982778911009085,0.2728890671134088,0.44706001450411026,0.45825404008461557,0.38956368843206596,6.1876499507138,11.96251152925095,25.52162461583881,0.24741683665136266,1.2948777430207918,2.1387166526581822,1.0498954405255798,0.8035569271498583,0.5357279818977836,0.26298872497082837,0.21593442558268067,0.18217157552446517,0.1317725488084086,3.99216902033362,4.807660197673577,10.604159134651804,0.3035919728466754,0.5298785499155545,2.4881693604675945,1.2859939449243238,1.0308458240988545,0.5178282274629699,0.267636108541715,0.2917303024942013,0.270158390936496,0.21262076151864479,4.805009129490773,7.090351214337943,15.193830640477016,0.27674234119445473,0.7745094549493421,3.057022050887074,1.6708356095782713,1.399060419755461,0.498949391988101,0.2727040883690184,0.43953795996355155,0.4489686920207691,0.38077566434494564,6.126918080220806,11.72233982488284,24.995352557342336,0.24842408798215146,1.2692823163292664,2.654299480874463,1.3983128852794238,1.1385924500861138,0.5113070230962254,0.2693619178547889,0.33176668281904786,0.3178120323820703,0.25712959241588496,5.191204816240001,8.325815008725684,17.742952574184663,0.2669605346443383,0.906708307617003,3.166054761616086,1.7446812021958014,1.4694179329821597,0.49623485778407184,0.27345440727887194,0.47132791902597393,0.4883128089851158,0.41802867605028926,6.380153896794048,12.739679717079714,27.236540072298737,0.24435228667610784,1.377669404061379,3.073232440977541,1.6727660690709625,1.4018992969263315,0.49988346219596175,0.2720874877219327,0.4442979784372401,0.44995206732994875,0.382322268700171,6.147897806974835,11.794210924085773,25.14899116419404,0.24982519329394262,1.27657231446736 +UMLCN0026,L,beta-citronellol,CC(CCC=C(C)C)CCO,Alcohols,Olefins,C10H20O,Marquardt (2015),IQT,PubChem,,25.6,0,1.464099999999998,2.143588809999994,47.72999999999999,31.73785999999997,0,0,31,11,20,0,10,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1718.9304909999978,1736.7027419999993,2031.3735669999976,1882.119676999997,1705.2000959999955,1319.2358419999964,1177.976737999997,809.6570629999998,549.0039300000007,5073.234683076255,6376.390959485107,8433.376333167183,9034.947776329816,8227.148418306468,6640.908267493871,5343.041105576401,4411.029789772215,2831.157861586191,223.12615600000012,222.6047040000001,398.13273999999996,501.656444,571.6839840000001,494.34324799999956,362.35860799999983,279.71152400000017,306.6341040000001,37.424462096980015,48.131549876000015,68.370628725037,77.70949356413094,74.03371350511097,59.79958213486609,46.84356476807406,39.73664478449004,28.710667460318962,5151.747887187481,4389.005216466251,8636.138802696638,11176.404027504033,13517.469573537564,11675.377806279817,8568.625926007075,6269.356530356142,7723.48189442362,85.55555555555556,72.5,108.74999999999997,130.33333333333334,137.47222222222223,128.83333333333331,93.83333333333331,78.33333333333334,73.66666666666666,55.44937067741928,57.890091399999974,36.93406485454541,26.887423957142815,21.05185303703698,19.119360028985454,23.09758309803916,20.760437512820506,12.47736204545456,163.65273171213727,212.5463653161702,153.33411514849425,129.0706825189974,101.56973355933911,96.24504735498364,104.76551187404708,113.1033279428773,64.34449685423161,7.1976179354838745,7.4201568000000035,7.23877709090909,7.166520628571429,7.057826962962965,7.164394898550718,7.105070745098036,7.172090358974363,6.968956909090911,1.207240712805807,1.6043849958666672,1.2431023404552182,1.1101356223447276,0.9139964630260613,0.8666606106502333,0.9185012699622365,1.018888327807437,0.6525151695527037,166.18541571572518,146.30017388220838,157.02070550357524,159.66291467862905,166.882340414044,169.20837400405532,168.01227305896225,160.75273154759338,175.53367941871863,2.759856630824373,2.4166666666666665,1.9772727272727268,1.861904761904762,1.6971879286694103,1.867149758454106,1.8398692810457513,2.008547008547009,1.674242424242424,0.2515912025591275,-0.09651349558227365,-0.032769380522930075,-0.023364573436452762,0.04699473212379933,-0.04354840702622702,0.029030224195601608,-0.02358277212495133,0.048668306523652054,931.1885438709678,-64.66514606867979,-129.93532702913728,-438.7195396763799,106.74856140166524,-23.31878197086326,175.91291434131145,-410.7509784828309,347.7504347960469,1517.3843431081298,-67.26944263185081,-154.42256391445665,-748.4936542088449,-1.2313233590121584,103.99017414062723,309.4264572814308,-789.5248678651199,338.8451284282693,1.1466038709677402,-0.08112245577523247,-0.12552957752341226,-0.15776654734651402,0.1651069177939627,-0.21900474505723216,0.01208318002081099,-0.08031945057232033,0.29076547346513826,6.74789405247678,-0.17125223253234229,-0.46829715051726084,-3.170814696616538,-0.5744819609857381,0.8079364897583302,1.3079335912380121,-3.6158759291052887,0.6382440913061425,37.06387345173483,-0.7339363613388643,-2.1986492545866607,-16.94790728938012,-4.060000968784145,4.892669227422805,6.96000255008289,-19.794679886212286,2.0199733117901286,25.910394265233005,-3.4025320846340623,-1.5838536246964987,-6.161463753035037,4.803127529194128,-6.348942074228246,2.620534165799515,-3.3711411723898714,8.980228928199793,0.008115845243842823,-0.0032171165194091215,-5.958069185987286E-4,-3.3377962052075373E-4,5.801818780715967E-4,-6.311363337134351E-4,5.692200822666982E-4,-6.046864647423417E-4,0.0011060978755375467,30.03834012486993,-2.155504868955993,-2.36246049143886,-6.267421995376855,1.3178834740946326,-0.337953361896569,3.449272830221793,-10.532076371354638,7.903418972637429,48.94788203574612,-2.242314754395027,-2.807682980262848,-10.692766488697783,-0.015201522950767387,1.5071039730525686,6.0671854368908,-20.244227381156918,7.701025646097029,0.03698722164412065,-0.0027040818591744157,-0.002282355954971132,-0.0022538078192359144,0.0020383570098020084,-0.0031739818124236546,2.3692509844727434E-4,-0.002059473091597957,0.006608306215116779,0.21767400169279935,-0.005708407751078076,-0.00851449364576838,-0.04529735280880768,-0.007092369888712816,0.011709224489251163,0.025645756690941414,-0.09271476741295612,0.014505547529685055,1.1956088210237041,-0.024464545377962145,-0.03997544099248474,-0.24211296127685883,-0.05012346875042154,0.07090824967279427,0.1364706382369194,-0.5075558945182638,0.04590848435886656,0.835819169846226,-0.11341773615446875,-0.02879733863084543,-0.08802091075764339,0.05929787073079171,-0.09201365324968472,0.05138302285881402,-0.08643951724076593,0.20409611200454075,-0.3963994411857253,-0.07341279936932561,-0.04112690797966846,0.07148754820229701,-0.07776593992994799,0.07013688225493744,-0.07450689935236184,0.13628868494956828,-0.07175845469475077,-0.07864817035888362,-0.20864741424869243,0.04387337877579676,-0.011250733578875885,0.11482900905586337,-0.3506211171313929,0.2631110420809796,-0.04581025084512315,-0.05736066329105776,-0.2184520768618542,-3.1056548962968153E-4,0.030789973138203336,0.12395195020818264,-0.4135874023389362,0.15733113110947378,-0.07310854232827316,-0.0617066071339783,-0.0609347693352407,0.055109762755754806,-0.08581292866392355,0.006405593281022638,-0.05568066483645503,0.17866457444951694,-0.026224573016001618,-0.03911580427406659,-0.20809721168601145,-0.03258253091116591,0.053792480490050656,0.11781727028262638,-0.42593404215448444,0.06663886094287252,-0.020461998061385257,-0.03343521751391644,-0.20250181917322832,-0.0419229666668943,0.059307231952404976,0.1141432179465442,-0.4245166860542935,0.038397579167707044,-0.13569650020749746,-0.03445402985450018,-0.10531094994367918,0.07094581324534747,-0.11008799100242388,0.06147624356147212,-0.10341892165104215,0.2441869238798272,1.342270084205897,0.8622296908510618,0.7780957374223905,0.5503406859944786,1.1956704230241015,0.9944859003383466,0.9536489377598393,0.5372272720766085,1.3643254165464076,1.164575763221682,1.2214814913394438,0.8455376124743759,0.9443608366740797,0.7970479282536443,1.3495095849877061,0.4991913521219891,1.4483201998277158,1.2096242904902248,1.3001376500622968,0.9252702578224964,0.8387922288510677,0.7808540132224684,1.4564742729779407,0.5718495363380656,1.0478387788678611,0.8962236048253897,0.7529301036633785,0.5748699832940759,1.3334023951407903,0.8935143904222471,0.8537614241786353,0.5678243043999487,1.4740722209233632,1.2115412288715075,1.3034846853312039,0.953305114672418,0.8053724132689329,0.7801649177259276,1.4780857697347745,0.6354262850982554,1.4762449305249,1.207499427441947,1.2964275717240348,0.956938984482771,0.8021804746926527,0.7816178528803451,1.4759571005628653,0.6553858894803378,1.1278185087840629,0.8522963065430894,0.8111747327233554,0.5519179436733725,1.3505761816836759,0.8390530786944729,0.9450716664715821,0.499243891397024,67.3506949337071,33.80034746685354,52.65457983940574,67.55524038825251,6.141385489841139,33.800347466853545,0.24999999999997868,0.04280407360549626,0.0038912794186814785,-3.4662342035474834,64.05626583498184,5.823296894089259,4.575738035882231,67.3544837382873,33.80187465869298,52.65651130310921,67.55842830300439,6.141675300273127,33.80187465869299,0.24926557909866176,0.04286683354165033,0.0038969848674227574,-3.4646225492667493,64.07180979817385,5.824709981652168,4.576004930698383,70.76720785842721,35.184106690184564,54.44456797522918,70.44075783092514,6.403705257356831,35.184106690184564,-0.3989944780580785,0.1022098941954604,0.009291808563223673,-2.5087994731908543,107.73035668842758,9.793668789857053,5.147594548633478,67.35846031498284,33.80347755760087,52.65853861069483,67.56177424243467,6.14197947658497,33.80347755760088,0.24849480021891424,0.04293271072769822,0.00390297370251802,-3.462933381346111,64.08814678221074,5.826195162019158,4.576285372156346,74.48977495415427,36.70374034490759,56.51956625526434,73.60426146514955,6.691296496831777,36.70374034490759,-1.0822942643390974,0.17398817836804303,0.015817107124367548,-1.9236447147381293,73.15200419390804,6.650182199446186,4.72179347805414,67.74826142872172,33.960697807299994,52.85786945084935,67.88991667171302,6.171810606519367,33.9606978073,0.17313418587826135,0.049424868341942096,0.004493169849267464,-3.3080317310961833,65.81164549631171,5.9828768633010645,4.605476486488031,77.53648687071933,39.01241010202633,62.236114938768445,77.93603232526476,7.085093847751343,39.01241010202633,0.48833333333332263,0.12780651522761122,0.01161877411160102,-2.262961534313007,55.519892205872445,5.047262927806586,4.4184155121257636,0,11.99624948761605,15.997943557490272,-0.4216997956447457,0.06997201359001473,4.108974649305388,8.432073689226804,10.0,30.0,29.0,29.0,9.0,1.0,1.0,0.0,0.0,1.0,21.864139999999995,3.5981715580827682,3.407215860351775,2.978317308608038,2.6759240957138766,2.3335527931030473,2.1380888527092345,1.9849608323417383,1.4437588735379951,1.9345358113775555,1.7819140038487902,1.4817618528794476,1.3604939742295443,1.2496297225843562,0.9707833938362099,0.806620060873939,0.5621585422595708,3.616715998358177,3.420029930584904,2.9538144514784843,2.6979054343598436,2.4054545878412887,2.171122524557501,1.9438854472297513,1.5047059335375594,1.8854596162348327,1.7292538639849857,1.4316767597774347,1.2748220218846036,1.134540685948351,0.878359677217523,0.7288436823554252,0.4269570930649443,3.7167983037626477,3.5410807407219096,3.1711691172584637,2.937024697422037,2.70423698723352,2.475594923968442,2.313873523643742,1.9008331462535617,1.733240626412211,1.5535208463646795,1.1549585666215345,0.9593921451561153,0.7603185604308974,0.5006217889372299,0.28951459035665755,0.04289050172259019,3.631947151416253,3.4358481595901886,2.968985888742314,2.727265490794062,2.4575399160416933,2.214319129025794,1.9636789809661899,1.5659223878540074,1.8546532188147786,1.6969957283352595,1.4025710865819079,1.2179784212362856,1.0582626705327107,0.8213468083758336,0.6745147957445726,0.33955412494848436,3.7647035622962792,3.5933666694897126,3.237775444225653,3.035488858379257,2.8389820851496492,2.5936828284897415,2.426932935773948,2.064180194663512,1.6888915301301648,1.5037069480390362,1.0846295213278914,0.8644257656105648,0.6313372621875604,0.38229483550411664,0.17249306325007688,0.2050010020392892,4.226224981819279,3.666067593371544,3.3867770359510394,2.891774523023674,2.6391981791844796,2.6102884203481618,2.2879417893348544,1.773672952094484,1.8499035606263212,1.6052934608796015,1.272552351099177,1.061669292604307,0.8744922968315391,0.6519521810463543,0.4367292925880416,0.19053921480009303,0,0,0,1,1,4,3,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696923425058676,0.0,0.0,0.0,0.5773502691896258,0.0,0.0,0.0,0.696923425058676,0.696923425058676,0.44758410344446353,0.6123724356957946,0.4978133577100985,0.2901419542023359,8.69023444431199,5.163902460147014,4.218597360017604,2.259872253901791,1.51169798031511,0.6832863638399794,0.5633565647770272,0.1767766952966369,0.7900213131192718,0.5163902460147014,0.38350885091069126,0.251096917100199,0.18896224753938876,0.11388106063999658,0.0938927607961712,0.05892556509887897,7.9303412586254005,4.406998041192867,3.4762783314785146,1.8339505289550055,1.0212503698810855,0.45680862086900254,0.3634522631560878,0.10196723314583157,0.720940114420491,0.44069980411928666,0.3160253028616831,0.2037722809950006,0.1276562962351357,0.07613477014483376,0.0605753771926813,0.03398907771527719,16.1330771422756,30.20903131828113,28.60392156862746,28.99999999999999,18.465784431137727,238.43707185628747,0.5204218432992129,0.9744848812348752,0.9227071473750793,0.9354838709677415,0.5956704655205719,7.691518446977016,2.677490000000002,49.26180000000002,36.59051034223623,56.855839119410476,73.18102068447246,6.652820062224769,36.59051034223623,0.016000650393675986,0.0014546045812432714,-4.548638498760157,55.09840957187479,5.00894632471589,4.410032936482797,122,1.0,0.0,1.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,6.0,3.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,4.0,0.0,1.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6168948806374401,0.0,8.62977308515999,3.6478103741496604,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6168948806374401,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2769033446712018,0.0,0.0,1.9366298185941044,0.9233024691358025,0.0,0.2769033446712018,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.433008471907281,0.0,3.626815476190476,0.0,2.25781179138322,0.0,0.6625925925925924,0.0,0.0,1.38999858276644,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.62977308515999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6168948806374401,0.0,8.62977308515999,1.38999858276644,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6168948806374401,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2769033446712018,0.0,0.0,0.2569444444444445,0.3026234567901235,0.0,0.2769033446712018,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.121735717435122,0.0,0.32935326908541196,0.0,2.25781179138322,0.0,0.6625925925925924,0.0,0.0,1.38999858276644,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.62977308515999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6168948806374401,0.0,8.62977308515999,2.25781179138322,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6168948806374401,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2769033446712018,0.0,0.0,0.46204648526077097,0.31805555555555554,0.0,0.2769033446712018,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.189537037037037,0.0,1.2001388888888889,0.0,2.25781179138322,0.0,0.6625925925925924,0.0,0.0,1.38999858276644,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.62977308515999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.0,2.090909090909091,0.6168948806374401,8.62977308515999,0.0643250425170068,0.32935326908541196,5.24498407265684,1.170646730914588,2.62977308515999,6.6411866969009825,1.170646730914588,2.62977308515999,6.6411866969009825,5.33333,0.48485,0.0,0.01515,0.46667,0.7697,0.42571,0.45657,0.73056,0.04095,0.0101,-0.03085,0.03914,0.62992,0.08437,0.0,0.34375,0.1875,0.0,6.25,0.56818,5.25,0.47727,1.0,0.09091,-4.25,-0.38636,0.0,0.0,11.34292,1.03117,13.53413,2.19121,0.1992,4.23428,0.38493,5.16389,0.92961,0.08451,0.25011,0.02274,0.25011,0.02274,0.0,10.01,1,1,1,1,1,1,0.8,1.0942658959797504,2.4039172772913386,3.8488846166291197,3.9779168746936358,3.9779168746936358,3.9779168746936358,33.92224277537226,74.5214355960315,119.31542311550271,123.31542311550271,123.31542311550271,123.31542311550271,0.22087657158145568,0.4852285066401851,0.7768938442264833,0.8029388876564316,0.8029388876564316,0.8029388876564316,3.8599304144071254,2.550279033095537,1.105311693757756,0.97627943569324,0.97627943569324,0.97627943569324,0.22087657158145568,0.4852285066401851,0.7768938442264833,0.8029388876564316,0.8029388876564316,0.8029388876564316,9.285756372440845,20.966412225112556,23.13185905870025,23.261900998313152,23.261900998313163,23.261900998313163,41.02908987040671,21.670914750787244,18.76498473052752,18.260676005266387,18.26067600526639,18.26067600526639,11.0,6.694214876033058,7.901234567901234,11,2,8,2.45,1.5333000000000008,0.7211247851537042,4.282910726134384,2.683281572999748,0.0,4.508797713853318,4.640391524350133,0.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.421,0.407,0.4860000000000001,0.33399999999999996,5.302999999999999,11.0,9.0,8.0,6.0,6.0,3.0,2.0,0.0,0.0,66.0,2.4849066497880004,2.70805020110221,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.4849066497880004,1.9459101490553132,1.6094379124341003,0.0,0.0,4.51085950651685,1.3636363636363635,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.5,9.0,0.9,0,4.0,8.0,1.0,2.5,0.8888888888888893,0.5,0.16000000000000003,0.2222222222222222,0.08163265306122448,0.0625,0.0,0.0,0.0,0.25,0.08080808080808084,0.05555555555555555,0.020000000000000004,0.037037037037037035,0.013605442176870748,0.020833333333333332,0.0,0.0,0.0,0.4778394489108775,36.59051034223623,56.855839119410476,73.18102068447246,6.652820062224769,36.59051034223623,0.016000650393675986,0.0014546045812432714,-4.548638498760157,55.09840957187479,5.00894632471589,4.410032936482797,20.23,187.6700729592279,4.459431618637298,3.7612001156935624,4.418840607796598,5.153291594497779,5.831882477283517,6.5722825426940075,7.257707677160043,8.000014093678072,8.687948111838727,9.430840432344976,80.11400765298727,3.044522437723423,0.0,4.174387269895637,0.0,5.442417710521793,0.0,6.771935555839602,0.0,8.131824785007195,8.433376705323127,156.15141526,5.037142427741935,20.48611670076994,1.86237424552454,2.4044093210821025,2.4044093210821025,0.0,194.0,9.0,3.285999999999999,42.0,1.2226883293095478,2.1263001825272756,2.952225484197954,3.625864307996927,4.510967900743489,5.599328065390126,6.640290848416769,7.270621555338468,8.12327170574552,9.136561748779132,82.86737657769734,89.7250420952799,90.76472011916199,93.11084039435065,104.1369794799909,148.4813181033177,151.12864788729547,104.67605326128755,59.187372525079,9.28333147671152,286.94599212186876,356.02397708808,408.36610875501844,411.2257199110008,486.3316262956685,639.6262759782378,784.803147856723,493.0063109124628,465.05909431607915,283.9985503764638,9.10701554464607,15.463171455301795,21.219797314801685,25.77476856889002,32.57758890619274,40.02488179457666,47.78525207978352,50.927028303814275,62.42159403340516,61.38366119294965,2.106676948025394,2.8213514311385643,3.431324801638196,3.5614118206401817,4.226102025173212,5.4577666102219835,6.963686543320693,4.858110212166217,4.448256990990006,4.062233259456949,176.43402300257964,329.2167352028547,467.63885962660964,597.8732391680145,753.2140029195994,931.3174721145058,1060.5855959114472,1271.5739988212658,1474.7644603906924,1689.5115461588036,3.0381355532260392,4.373873887421602,5.643964341927812,6.600886298619242,8.959210870124922,10.866465337033375,13.719606187019354,12.965387254375797,22.617120427133198,9.136561748779132,0.44865170848157826,0.6082005818135962,0.7459893837569983,0.7908041087904157,0.9552530463979262,1.2147963961440393,1.5494250380076169,1.1560938986368472,1.2321570799339618,0.9355839230749831,360.36299576455906,310.7387509935779,15.465248321762974,77.06991095202301,-66.4569008191523,-16.330427151682006,283.29308481253605,377.1956518127302,31.79567547344498,0.8238131842194545,0.7103689416647139,0.03535456085790795,0.17618681578054554,-0.15192478617574717,-0.03733241578522276,157.63463271038643,135.927355076601,6.765008526482521,33.71291516813157,-29.070435296697394,-7.143466216883654,0.24321612438927775,0.45888757186510554,5.568754203069644,16.100511566291242,379.4506255043776,57.98228121220441,0.8674487439744174,0.1325512560255825,675.0655629832938,25.982023843097632,8.772337216297249,882.2033963744803,29.7019089685239,9.590831076220347,1167.142361549672,34.16346530359109,10.528696592122769,1.4015185341434202,1.35298132183908,1587.9390058302833,1420.1450324503169,238.59405542577838,1.1181527023972015,6.655400542132358,5.952139209487113,5.721167003194506,5.630470660610887,9.678752831847707,0.7189953407549761,8.670502631197376,8.18522987011651,6.752750604856601,25.938693580901184,14.127213368933544,9.18089923440688,12.532929057765527,17.113752011258754,16.96986257111344,7.787690642097797,8.737969830622609,7.665559471273568,6.280547541036892,7.258629829333861,4.382375833862499,3.9894574217669425,2.3354899517099,4.3806966748704985,3.30515456128028E-5,5.118504640088243E-30,1.5327432942569134E-76,8.85262242081099E-145,9.861667659104577E-235,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7535510716979441,8.344553076451634,0.5065230661310428,10.100564656357793,2.8912865917275923,0.646487310518008,1.5672269036086675,2.053252642146055,4.17265261171004,0.9923292300039711,0.4585113590144045,1.3458891969868714,0.3172333086207217,1.4283670586233068,0.7861702919029844,0.34068709135833425,0.5642210810712762,0.1848833703181859,3.6860100054361188E-6,5.721868435515243E-31,1.7134224829543056E-77,9.896166140951524E-146,1.1024157243160845E-235,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.277172945270591,8.026425585237508,1.4257178365854641,11.248919944510364,3.7858479122511803,2.1664132414543222,3.222009679841517,3.7834911378270024,5.526037944743482,1.8409373060861498,1.544735562005507,1.832536279135778,1.1427708446754603,2.3713185605772313,1.0208917172986052,0.6893432366042774,0.48127202013004977,0.4983556246340941,6.390347975201589E-6,9.911929703469261E-31,2.9681422830124635E-77,1.7143016070627144E-145,1.9097022229909028E-235,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.474253276773755,8.354751164384263,6.822727646407904,24.55034751787868,12.944464067399206,8.580023735181742,12.124682430845112,15.95344322564041,16.451320557870538,7.182076981569458,8.272860259790736,7.227444633615038,5.776906546571782,6.814279142865707,4.282662541461784,3.9351434087101858,2.276371235713223,4.439943862018566,4.1483455723205E-5,6.429030586344388E-30,1.9251824729297537E-76,1.1119222369936815E-144,1.238662064499912E-234,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.2691121841691713,7.906281007070682,2.015752579455,12.640253564616383,4.815307372732283,3.27575871388526,4.413540730729792,5.3136107674529525,6.723956964253158,2.5834085655767383,2.405256175950777,2.410456508473892,1.8257809261643843,3.0920030490863053,1.322304419952028,0.9844477177416997,0.564943957866316,0.7459175314614995,6.334889397288356E-6,9.81466567946766E-31,2.9390155419725557E-77,1.6974789568631005E-145,1.8909620827784037E-235,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.705835588715843,8.299082062428447,8.926397729985517,32.84737921867554,19.068324126028443,11.495320490598408,16.131276804080105,22.87111166857354,21.824312519936324,10.248426781517832,11.712130836048638,10.204330781465627,8.3026407269731,9.003126372086998,5.784984997532911,5.4897318797310195,3.2396312533731764,6.391926628909811,4.827189846159058E-5,7.475621217412701E-30,2.238585115778315E-76,1.292933321652238E-144,1.4403052697178582E-234,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.64560288791594,8.593636441904932,6.02282206780437,17.49814575495114,6.867429371888604,5.185741064587916,8.57748900416746,9.361731013500178,13.339281087711909,4.257638099828502,5.111992214488918,5.333724179290298,3.000124828899758,4.3891519834680786,3.659914652365863,3.3643568902373753,2.4428152367005507,4.059969614549209,6.847451839481643E-5,1.0626647352780042E-29,3.182166008376376E-76,1.837914689441658E-144,2.04740505033313E-234,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.980138922099352,1.9337490843615845,0.646047066712838,0.7768329895674629,0.16728027208812643,0.584340234748347,0.5072010564780163,0.3742190008647599,11.559935073173774,24.41622075105596,47.19497983354513,0.6652494843511944,1.4657602920911232,8.933418448972356,1.3189682332035708,0.2272986309979533,0.8524510213815552,0.1258595266735264,0.5771676234502728,0.21328724339864502,0.0459534866742869,10.47968531317388,14.11324860542949,27.27116985496103,0.7786765320723327,0.8364083535232048,8.495344048774335,1.517689326100531,0.40051698789101486,0.8157970867601334,0.14574177616954712,0.522657627852718,0.3093352640002518,0.14448130039191837,10.41355036276588,16.90368295133356,32.48121618419826,0.7236956301402001,0.9764741922448881,9.110187259244618,1.9281189872575983,0.6297999600482576,0.7807768542705036,0.165246952086805,0.6005595194005611,0.49745295390586375,0.35630914469884717,11.668106206550474,24.517449865069338,47.24832303501382,0.6711652814057555,1.454321618005272,8.43591723514475,1.615047729314551,0.47859841450113105,0.8011649611227863,0.15338221265106267,0.5166787164901678,0.3554691958410376,0.206280716429724,10.529563378960432,18.434784871502654,35.48496878455953,0.7017474416841796,1.0784286287609295,9.08954062167734,1.991838269708369,0.6757193236080887,0.7731108863312439,0.1694158059484595,0.5984380527408155,0.5368362188416379,0.40903620125430423,11.757098214993798,25.59279671345783,49.583722240169365,0.6596663294968659,1.5443104728367576,9.116398674366843,1.9331654296743628,0.6313191549149817,0.7804545660001306,0.16549822362038671,0.601456024730975,0.5008770239780668,0.35799712175325926,11.680883258956188,24.599308232757384,47.406248886337345,0.670681849000196,1.460330170462301 +UMLCN0027,L,Linolenyl alcohol ,CCC=CCC=CCC=CCCCCCCCCO,Alcohols,Olefins,C18H32O,NREL (2014),Other Ignition Delay Method,PubChem,,41,0,-0.6295999999999999,0.39639615999999994,78.6951,53.81937599999996,0,0,51,19,32,0,18,0,1,0,0,0.0,0.0,0.0,0.0,0.0,2885.236226999997,3036.1007660000023,3249.0799090000037,3093.981804,2907.3000349999998,2726.714649999999,2530.9739849999987,2344.2922159999985,2162.6907669999964,8834.374830242074,11141.365569925974,14332.923362839154,14600.55853955219,13646.32932210572,12878.602571244832,11902.88797072063,10948.658753274158,10149.848257982338,364.07185199999986,368.3404160000001,656.505628000001,869.0777520000026,799.8735560000022,770.9801440000018,714.8137080000014,645.6095120000008,609.9976360000005,65.07101695516803,83.80528159599997,117.84142661988581,127.04902685929864,118.25181650020471,112.12228357020471,103.54536761565775,94.7481572565638,88.17401142171484,8385.11456019847,7240.830637741053,14022.37647493498,20125.04505289056,18429.377141516383,17843.215142287692,16549.177639273363,14853.509727899169,14082.430076646218,120.75,114.75,178.5,208.0,190.75,185.0,174.25,158.25,150.5,56.57325935294112,60.72201532000005,35.704174824175865,25.154323609756098,25.72831889380531,25.015730733944945,25.059148366336622,25.761452923076906,25.147567058139494,173.22303588709948,222.8273113985195,157.5046523388918,118.70372796383894,120.76397630182052,118.15231716738377,117.85037594772902,120.31493135466107,118.02149137188765,7.138663764705879,7.366808320000002,7.214347560439571,7.0656727804878265,7.0785270442478065,7.073212330275246,7.077363445544568,7.09461002197803,7.092995767441867,1.2759022932385888,1.6761056319199994,1.2949607320866572,1.0329189175552735,1.046476252214201,1.0286448033963735,1.0252016595609679,1.041188541280921,1.0252792025780795,164.41401098428372,144.81661275482105,154.09204917510965,163.61825246252488,163.09183311076444,163.69922148887792,163.8532439532016,163.22538162526558,163.7491869377467,2.3676470588235294,2.295,1.9615384615384615,1.6910569105691058,1.6880530973451326,1.6972477064220184,1.7252475247524752,1.739010989010989,1.75,0.3129711578024564,-0.10221808683089102,-0.07556198987737467,0.018120853280750582,-2.2512746902145046E-4,-4.8778725896829987E-4,0.0019349340636957615,-7.736629340521581E-4,-0.00639760692669691,1513.9540856470592,-63.248741301038336,-680.5614271349474,32.5619333806238,-33.18977951210982,5.760173166090794,20.872429875433227,-44.87928301730054,-23.379607934255603,2607.13291387703,-58.67878040513156,-1158.5429187786835,68.3215868026338,-45.811624178735656,19.891375213228976,47.847811638986386,-66.28539934238304,-30.555101679307366,1.2665054117647032,-0.07447338408304557,-0.2357446366782009,-0.009149522491349205,-0.031494657439446155,-0.019930782006920236,-0.01939573702422133,-0.04174087197231828,-0.03582849826989618,11.644059018121421,-0.10830345594206803,-4.892326457908968,0.3205268211850051,-0.16907788992754094,0.10483022743162676,0.22759798338084758,-0.262006727731698,-0.11535074845114918,63.70619101125466,-0.3453060517140082,-26.116067938373263,1.7603018167575937,-0.8672637352475028,0.587361514544749,1.2491259243599941,-1.3784396276450988,-0.6041795114857442,28.74509803921563,-1.892252979623219,-5.206939638600534,-0.5813148788927318,-0.9499231064974989,-1.1561899269511713,-1.490292195309495,-1.9520376778162234,-1.9329104190695876,0.006136689368675615,-0.0020443617366178203,-8.303515371140074E-4,1.4732401041260635E-4,-1.9922784869154906E-6,-4.475112467599081E-6,1.9157763006888726E-5,-8.50179048408965E-6,-7.439077821740593E-5,29.68537422837371,-1.2649748260207667,-7.478697001482939,0.2647311656961284,-0.293714862939025,0.05284562537697977,0.20665772153894285,-0.49317893425604986,-0.27185590621227446,51.1202532132751,-1.1735756081026312,-12.731240865699819,0.5554600553059659,-0.405412603351643,0.1824896808553117,0.47374070929689494,-0.7284109817844291,-0.3552918799919461,0.02483343944636673,-0.0014894676816609115,-0.0025906004030571525,-7.438636171828621E-5,-2.78713782649966E-4,-1.8285121107266273E-4,-1.9203700023981513E-4,-4.586909007947064E-4,-4.166104449987928E-4,0.22831488270826317,-0.0021660691188413604,-0.05376182920779086,0.0026059091153252446,-0.0014962645126331056,9.617452057947409E-4,0.0022534453800083917,-0.002879194810238439,-0.0013412877726877812,1.2491410002206795,-0.006906121034280164,-0.28698975756454137,0.014311396884208079,-0.007674900311924803,0.005388637748116964,0.012367583409504893,-0.015147688215880206,-0.007025343156810979,0.5636293733179535,-0.03784505959246438,-0.05721911690769818,-0.004726137226770177,-0.008406399172544238,-0.010607247036249278,-0.014755368270391039,-0.021450963492485972,-0.022475702547320786,-0.33313756225843033,-0.13530936425631873,0.024007082901183408,-3.246503720857966E-4,-7.292388776336049E-4,0.003121840108883211,-0.001385403427373489,-0.01212229815592907,-0.04261272963207873,-0.25193204383910683,0.008917898883790878,-0.0098942617559555,0.001780190641035246,0.006961600684198766,-0.01661353265961735,-0.009157907329072195,-0.022957155615142232,-0.24904494922168582,0.010865753207218503,-0.007930567199271304,0.003569811755312708,0.009267182369391554,-0.014248970535131711,-0.006950119720840557,-0.05997830807439075,-0.10431903356166686,-0.0029954111623941545,-0.011223325840623473,-0.007363104553743757,-0.0077330005235304285,-0.01847069560321478,-0.016776187845366913,-0.009487200716604735,-0.2354722940969503,0.011413662939594834,-0.0065535128279176035,0.004212363181876507,0.00986990139792072,-0.012610631317965481,-0.005874727730305938,-0.005528696146439908,-0.2297496899980389,0.011456990749386784,-0.0061441425031833205,0.004313874692420615,0.00990087060413514,-0.01212648389029272,-0.005624139433074286,-0.0671452933151433,-0.1015190471193201,-0.008385186171097719,-0.014914764152651847,-0.018819542661176282,-0.026179203868545137,-0.038058633044990534,-0.03987674101335708,1.3291202081139426,0.9842659261881096,0.7321254911905731,0.7734079689809148,0.7903712876067293,0.8426362380364522,0.8936614667942209,0.9325407574744321,1.3189569425723755,1.358641669581602,0.9401602889170627,0.9702850286765788,0.9508688160009919,0.9470101440493175,0.9851705192597336,0.9727094180964008,1.3610441020378738,1.3971321118450406,0.9634468712838956,0.991395331065792,0.9683612812197232,0.9595675509204981,0.9938464822580839,0.9763225247441973,1.0609919132739145,0.966508236535927,0.6998349215201165,0.7493387585276821,0.7639528814704754,0.8059238604206613,0.8790537831773685,0.9138311469278403,1.3728399054578986,1.3958586066179437,0.9624381339004624,0.9902429948707953,0.9671103336792923,0.9581364716689789,0.9921906768045039,0.9744990644168936,1.3737570875014757,1.3913491099173854,0.9596042481199948,0.9875684748315694,0.9647628696621587,0.9562149139549759,0.9905672686446212,0.9733201928356803,1.0697476125511616,0.9700650645398275,0.7123872824676418,0.744644086008525,0.7779547417299788,0.8374221630894346,0.9007747027869828,0.9455606142326868,225.3860482351854,112.81802411759263,178.89996722881253,225.6097324457116,11.874196444511135,112.81802411759263,0.2499999999998579,0.1010667726155054,0.005319303821868705,-4.354750344594643,154.32942390083238,8.122601257938546,9.57426992460222,225.39027584653834,112.81977071281838,178.90201078768908,225.6133029436264,11.87438436545402,112.81977071281838,0.24926557909842018,0.10109445920670507,0.0053207610108792144,-4.354229923115865,154.33162341179855,8.122717021673608,9.574297003307953,229.18573495048406,114.39337023621292,180.75021860357955,228.82873989116888,12.043617889008885,114.39337023621292,-0.39899447805821353,0.12614587793328702,0.006639256733330896,-3.933600932654024,156.94705685750208,8.260371413552742,9.606226208918189,225.39471292982086,112.82160386501977,178.9041556381436,225.61705038264813,11.87458159908674,112.82160386501977,0.24849480021867976,0.10112351807109526,0.005322290424794487,-4.35368386046145,154.33393345012922,8.12283860263838,9.57432544232702,233.31617314071894,116.11693943818986,182.79230573686382,232.34780458841544,12.228831820442917,116.11693943818986,-1.082294264339211,0.153975819883078,0.008103990520162,-3.5548234350211363,161.66783287231445,8.508833309069182,9.662533250184422,225.82942901690677,113.00128160139252,179.1144737396566,225.98433855164,11.893912555349473,113.00128160139252,0.17313418587825424,0.10397276093579161,0.005472250575567979,-4.30089002362783,154.56800836110637,8.135158334795072,9.577204947799686,241.11109964615665,120.73610537863385,193.02425977953754,241.43419906136126,12.7070631084927,120.73610537863385,0.3611111111110574,0.28386835799303184,0.014940439894370097,-2.3925648853060784,138.15325924862773,7.271224170980407,9.363890922063334,0,11.996163381923397,15.997945681813368,-0.421733834846135,0.06985087262953886,3.9464156864742437,7.978998137027455,18.0,50.0,47.0,47.0,15.0,3.0,3.0,0.0,0.0,3.0,34.982623999999994,3.610029299188462,3.5167487094071443,3.424992559623224,3.268077396088935,3.1042000575754147,2.8661283485408124,2.696731678131355,2.4461224533172676,1.9376091285606603,1.8851130628640622,1.8034440194050894,1.698801355537916,1.5632567225129164,1.4216840037968896,1.2578475674222371,1.1134219615711378,3.629946588140684,3.5393717065664045,3.4432731204902054,3.2848597619351048,3.116392418670088,2.880493169405815,2.7158448421175825,2.45358556908381,1.8857832344334615,1.8341015178410238,1.7498490953407437,1.640105480125971,1.5022547381170308,1.3523520352469969,1.1881723581776056,1.0302547361964014,3.721174255718802,3.6535863647492937,3.5614364421252653,3.424922220185609,3.270519965856282,3.0758004319155865,2.9083208992193197,2.6984478479220724,1.739658207601558,1.6729212662247686,1.5778733298209537,1.440362568730398,1.2835336021889066,1.0908550161226163,0.92380664790725,0.7112739044796134,3.6448053929083497,3.5574180961398345,3.460547129551391,3.303827365354201,3.135409771866305,2.9048818852036717,2.739992331874349,2.480617555202212,1.853450221620176,1.8017396021567564,1.7164764639448125,1.6036326583470089,1.4642373077718465,1.3084165066557036,1.1436559350946085,0.9778447847799441,3.767538360895242,3.706888667594476,3.614875404088484,3.4856795403294183,3.335030676965935,3.1543762404316507,2.9874566115050576,2.7923883924121733,1.69735586487514,1.6227856081877146,1.527491726306746,1.382375259624879,1.2215069271621748,1.0140675192863637,0.8477633943947842,0.6179762578001574,4.235247642810984,3.7369794903555813,3.598071419100985,3.4425854518016044,3.3182004817808517,3.0892443017051585,2.9340751593595478,2.7063354961875463,1.8508016688226054,1.7282340386601158,1.6561016404959066,1.5306089281756696,1.3712315477615746,1.2200699840109397,1.0027449365518382,0.8261741400612715,0,0,0,6,0,2,10,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.020815280171313,9.414213562373096,6.303300858899108,4.207106781186548,2.7980970388562802,1.8535533905932737,1.2222718241315031,0.801776695296637,0.737937646324806,0.5230118645762831,0.3707824034646534,0.26294417382415924,0.1865398025904187,0.13239667075666242,0.09402090954857717,0.06681472460805309,12.68948980368974,7.972824289986564,4.9274686495324245,3.05893800925435,1.9076516941445538,1.1648298851735346,0.7083675466763335,0.4291322365680544,0.6678678844047232,0.4429346827770313,0.28985109703131906,0.19118362557839688,0.12717677960963691,0.08320213465525247,0.054489811282794884,0.035761019714004534,27.384043964990795,49.53605243991266,46.95686274509799,47.56000000000003,31.257111377245554,390.0919916167665,0.5369420385292313,0.9712951458806404,0.9207227989234901,0.9325490196078438,0.6128845368087363,7.648862580720912,5.346770000000007,85.53980000000007,125.01620054396592,198.3369898780148,250.03240108793187,13.159600057259572,125.01620054396592,7.771561172376096E-16,4.0902953538821554E-17,-66.1026917991814,2000090.626599441,105267.92771576006,27.566535796514916,486,1.0,0.0,1.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,10.0,4.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,11.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6154992863374802,0.0,8.651774495556351,13.478704994591341,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6154992863374802,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8537991686601765,0.0,0.0,3.024312656113455,1.4502507716049382,0.0,1.8537991686601765,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1622948824120223,0.0,12.207225627440284,0.0,13.478704994591341,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.651774495556351,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6154992863374802,0.0,8.651774495556351,2.2090658546400133,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6154992863374802,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2822494252330562,0.0,0.0,0.2555171187888991,0.31730131172839504,0.0,0.2822494252330562,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1622948824120223,0.0,0.35167780129118276,0.0,2.2090658546400133,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.651774495556351,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6154992863374802,0.0,8.651774495556351,2.3055011495338875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6154992863374802,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.31986610189952425,0.0,0.0,0.4608894944161371,0.4044444444444445,0.0,0.31986610189952425,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1622948824120223,0.0,1.3268058723868539,0.0,2.3055011495338875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.651774495556351,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,36.5,1.9210526315789473,0.6154992863374802,8.651774495556351,0.2555171187888991,0.35167780129118276,10.592031540113787,1.1483221987088172,2.651774495556351,8.585548745119429,1.1483221987088172,2.651774495556351,8.585548745119429,9.33333,0.49123,0.0,0.00877,0.46405,0.74035,0.42881,0.44678,0.71833,0.03524,0.01727,-0.01797,0.02202,0.66351,0.05078,0.0,0.08929,0.0,0.0,12.25,0.64474,9.25,0.48684,3.0,0.15789,-6.25,-0.32895,0.0,0.0,20.06084,1.05583,25.65601,5.59517,0.29448,7.44728,0.39196,9.41421,1.96694,0.10352,-2.1E-4,-1.0E-5,-2.1E-4,-1.0E-5,0.0,18.01,1,1,1,1,1,1,0.6666666666666666,1.0634322042075421,2.4052541702587713,3.6864603906941578,4.402721665458489,4.7948785282035855,4.780076812474892,54.23504241458465,122.66796268319733,188.00947992540205,224.53880493838292,244.53880493838287,243.7839174362195,0.18747398865507817,0.4240257077447592,0.6498913900932717,0.7761621176186848,0.8452960134574619,0.842686597760234,4.608993137763954,3.2671711717127248,1.9859649512773383,1.2697036765130072,0.8775468137679105,0.892348529496604,0.18565764183410566,0.4199175231811405,0.6435948997436418,0.7686422499025839,0.8371063401175032,0.8345222058149918,8.567765088720451,18.54982789285901,23.07826589955122,26.386526051828586,27.212817239593278,26.60413096582933,71.66281597849638,47.67030742008184,34.693706113120875,25.047615451629984,22.151725820213667,23.469478417947588,19.0,18.0,18.0,19,2,18,3.33,2.574499999999999,0.0,2.368665391348515,0.0,0.0,29.494413321441016,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.451,0.447,0.7490000000000001,0.613,9.426,17.0,16.0,15.0,14.0,13.0,12.0,11.0,10.0,9.0,154.0,3.091042453358316,3.1780538303479458,3.258096538021482,3.367295829986474,3.4657359027997265,3.5553480614894135,3.6375861597263857,3.713572066704308,3.784189633918261,3.7612001156935624,5.840641657373398,2.227272727272727,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,0.7222222222222222,15.0,0.8333333333333334,2,9.0,18.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.027777777777777776,0.013071895424836607,0.0078125,0.005333333333333334,0.003968253968253968,0.0031397174254317113,0.0026041666666666665,0.0022446689113355773,0.0020000000000000005,0.0018365472910927456,0.08404039686301618,125.01620054396592,198.3369898780148,250.03240108793187,13.159600057259572,125.01620054396592,7.771561172376096E-16,4.0902953538821554E-17,-66.1026917991814,2000090.626599441,105267.92771576006,27.566535796514916,20.23,320.76503256456226,5.247927513443585,4.2626798770413155,4.919980925828125,5.58724865840025,6.255750041753367,6.928537818164665,7.601402334583733,8.27664912542186,8.951699168308815,9.62832676063802,99.41227471014015,3.6109179126442243,0.0,4.653960350157523,0.0,5.820082930352362,0.0,7.0431599159883405,0.0,8.298290634359283,8.640472207576408,264.24531564400024,5.181280698901966,36.82842843374334,1.9383383386180706,2.4142104021744073,2.4142104021744073,0.0,1140.0,16.0,7.646999999999999,70.0,1.2301630381899673,2.151574495452288,2.908839745897723,3.691166347386834,5.023624169842067,6.039055698794704,7.386529564240542,8.482636422286598,9.78054621753806,10.95622750528502,86.63105375910935,85.85684162021687,89.40567224612325,122.07972686578762,149.2851113195491,180.073046378368,217.0766842079593,242.63900915454127,271.2701580349803,312.2355126715355,301.33299760052347,362.8298213713988,383.99188635104906,528.1641406761781,657.5919902612549,797.02008296836,962.5572789334333,1086.857248595881,1216.3896118059677,1401.8379264355724,9.097330690950384,15.573644497670761,20.624553781537575,26.391901738051025,35.70645375602378,43.016300219481785,52.62130330345047,60.452170292757074,69.64215549075388,77.92992243829637,2.208634446790616,2.927439183724152,3.218972100464894,4.380064620205112,5.548725483321127,6.721100946715748,8.133863795175138,9.225637149147047,10.37145852650303,11.935396160577746,175.7376498767391,328.03214170450906,471.6969620348265,586.0088431533645,812.2172505443759,973.4409982003012,1193.4020761422678,1373.0776639229625,1593.0010607144102,1769.6275955189558,2.9198515599426855,4.3404783434389715,5.11145136996229,6.774155707400079,8.924176624406769,11.017366407521052,13.330730926293777,15.46599396998775,18.26859560188452,20.07070497244652,0.4637639624604109,0.6249204925833193,0.6931897310369349,0.9421519706894002,1.1986074583010011,1.4538337230884455,1.7629144505870673,2.004470138350183,2.260721357072967,2.591446978465129,632.2351804591276,864.2168482974822,26.05232347578617,175.31237288091182,-239.6385254118095,-23.60105109273012,456.9228075782158,1103.8553737092916,49.65337456851629,0.7829076787418713,1.070174560894968,0.03226103944966836,0.21709232125812894,-0.2967485003460884,-0.02922558677209226,510.5599731152667,697.8962013978716,21.038490081694388,141.57307779021698,-193.51950488232157,-19.05897106618747,0.15342747085572445,0.2894864566221206,3.51631859304359,10.602099863867098,748.0052913882485,59.54226195179086,0.9262677947502629,0.07373220524973718,1218.5840823117226,34.90822370605131,10.681161957698842,1545.884268478843,39.31773478315915,11.562692937911113,2044.061129819304,45.2112942727733,12.6910618279483,5.452363326982629,5.452363326982629,12713.175301332018,12651.558407380058,100.75237363435372,1.0048703007145756,126.18238997991392,125.57082231426689,7.757559959005964,12.044568846579773,23.20077222184641,0.9262434809723056,13.558780172191936,14.431487661987294,9.946639295902697,50.93887233962308,29.89110845152406,0.745877183708098,15.510933484722006,12.661935717754869,49.18675954015895,0.2795793991737845,1.0534277377119823,33.057102508595435,3.141455114248159,53.12598149559289,0.001181581060204314,0.6492920516584528,26.262409672551286,0.7310532245109542,47.96622868746876,2.0658924780583513E-5,0.620702619819904,16.035956774461404,0.8378725130132013,42.40316637916323,7.815795944128918E-5,1.4041780038730778,8.688624640649447,2.114146668853247,28.629636367084746,1.1399439600690745E-4,1.1637247824187482,14.594054953654979,0.8727739795542376,16.83600134766919,0.2248826197491875,0.07171140230010396,2.516514591442225,0.10859078285439745,14.691079746627807,0.0019752010088627723,0.11210190000462271,2.5156201707721806,0.04807909980059917,11.989425994014645,8.694541696877679E-6,0.18797317258464374,0.99256022140515,0.04722887626873917,8.941515204816518,1.35309806284776E-6,0.40463442077567674,0.33753930681632305,0.0689351524978043,5.918276267379729,6.521602935993291E-6,0.5789840663207394,0.10539619656768104,0.08607727010277053,3.5183844776109123,9.465643798317146E-6,3.601722988076731,14.273929919027104,2.5575710217734002,19.229923830489646,2.2307231762458026,0.20391325842714542,4.988692905636567,0.9791867366547664,18.650803823063026,0.020535219125254467,0.24570843939519546,8.039069695824425,0.2972443656255576,17.98809920970692,8.76785408170776E-5,0.2167526538764731,3.957911801287238,0.16176588767806205,14.685771437387448,4.618792560958403E-6,0.38702506287868277,1.7485282930008363,0.2234344767552569,11.08826323188238,2.1077339337256497E-5,0.5818544021475724,0.7504199823168622,0.3379057206214786,7.017933794797707,3.062288021379363E-5,13.087448450913005,14.602245700066982,9.877051331860658,47.51669656701842,26.64232762030369,0.7038181144716225,15.23285695632361,11.29492285710562,46.80191000593629,0.24910441199359545,0.9819779842048469,31.13056053238797,2.8168504257322358,50.63168113082578,0.001053023981291499,0.6136639316865051,23.958807352334606,0.6803295575975058,45.577400992159035,1.9238230605861505E-5,0.6400177442750089,14.440482585447667,0.7899303993875515,39.77879413829974,7.374881259236579E-5,1.358433562318701,7.7723365957517885,1.9329393445934269,26.563262237575,1.0753178662416215E-4,5.221528101541889,14.152888413329691,3.625617904513642,22.21972042900464,4.8100995470788925,0.29633000534197956,6.5921866725257035,2.079156792108085,22.140557668939703,0.04459022828632835,0.3551610690035776,11.992458073238451,0.5817890408508999,22.655473855133177,1.8953271945270188E-4,0.2567207407289745,6.639768310492387,0.24782866858601096,19.14623187827391,7.0610216634511435E-6,0.3913667151928188,3.2496211813624383,0.3302230571769501,15.231920842534628,3.108922155347227E-5,0.6355745348706285,1.5216989856639807,0.5588442002584434,9.905073448762343,4.5199900703076426E-5,16.608371947053342,14.544927416996599,12.43020743091008,66.24345022157313,43.546546432189274,0.906483664665058,18.913201893178062,18.40292787179646,62.165237508983736,0.4077203808454936,1.3580376987891327,41.24622813575185,4.496864337175315,66.48038374959218,0.0017220097582137603,0.845379635493901,35.748093034607535,0.928920684379385,60.52602368313018,2.619026230748916E-5,0.7286167582107961,22.663692202701977,1.0163698574881672,54.55715543900676,9.450986997667777E-5,1.7957385963836943,12.52900449076968,2.851429945124528,37.04690790406458,1.3799455432737134E-4,9.233157707696158,14.4930308530646,8.512880668350634,30.444596264978873,10.472479231913189,0.5203346901183095,12.496998951595703,4.4973826159371635,32.540183900430534,0.0974011655392062,0.5449965270454423,18.783909064747068,1.211726378612825,35.201927167776105,4.13144941336565E-4,0.46350896351716564,11.504919072750328,0.34993913784385666,31.91725122376128,1.2658800893128885E-5,0.8317830350030317,6.169139449666791,0.5773819236308922,24.5999219219779,4.0747595063805476E-5,1.12876538200669,3.139585084094644,0.8989358691292089,15.245632012423373,5.9326211128957634E-5,48.73728530239147,0.8812092723400149,0.3797311440689529,0.9747802967349134,0.017624810874211895,0.5631740747968311,0.6665566671346457,0.4848604233832964,49.99822571880044,61.78943542899002,128.09625852360787,0.96217044510237,1.714591165314773,47.815959376061265,0.3071577040429005,0.07416953978677485,0.9920882010052345,0.0063729252326029705,0.5421291958085059,0.08098094290253809,0.018570671165863462,48.19728661989094,18.256309745495987,67.54292738516091,0.9881323015078519,0.6416808098769075,46.66908907769485,0.5293809218746341,0.1919022622192552,0.9847799637422248,0.011170642824881932,0.5164019576782529,0.2407042278725599,0.12421236218194755,47.39037226178874,33.76321856520455,85.894675420829,0.9771699456133373,0.8813185477327603,49.17371986312779,0.8608467533134854,0.36908039725127845,0.9755984492504948,0.017079056860302772,0.5733088309367337,0.6362478169410775,0.4582299765606969,50.40364701369256,60.7978148156121,126.8250178154707,0.9633976738757423,1.667786624438508,46.573164093721346,0.6341385815469246,0.24761026350076765,0.9814192295287653,0.013362970075725396,0.5142741010811155,0.3452136554095386,0.20660569021063552,47.45491293876904,41.22285287112829,95.9906477681055,0.9721288442931478,1.0660934467012895,49.17930048041234,0.9269612135868772,0.4041998310326659,0.9736458348542342,0.01835186584322726,0.5734353613203804,0.7375731388543577,0.5491265397833924,50.51046152503188,65.84024656706974,134.77708868904512,0.9604687522813512,1.8601350399581307,49.162284679703966,0.8619346089919081,0.36990925215684933,0.9755558058683335,0.017103869715559588,0.5730417919189551,0.6378449558495567,0.4602694013429878,50.394128540852726,60.87909616936125,126.9480089102311,0.9633337088025001,1.6711561491114997 +UMLCN0028,L,3-methoxy-3-methyl-1-butanol,CC(C)(CCO)OC,Alcohols,Ethers,C6H14O2,Marquardt (2015),IQT,PubChem,,10,0,-0.19440000000000043,0.03779136000000017,31.2722,21.499101999999986,0,0,22,8,14,0,6,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1391.7456239999985,1327.0675869999995,1739.180368999998,1539.3708229999984,1179.1820199999975,426.3808530000008,72.68083200000001,3.0481920000000002,0.0,3409.0553864577187,4175.845756666993,5572.067871734241,6253.887845889951,5336.945324402174,2798.996030561212,733.7824414180818,93.25123329279079,0.0,166.00502400000002,162.26410000000004,291.6262760000001,349.3807159999999,413.72070399999984,368.02018799999996,116.15270399999997,20.155392,0.0,24.244388667885982,30.184464016000007,41.34251791333903,49.136512109094014,48.58565746352707,28.883590646563967,8.053203126188004,1.3338387145469999,0.0,3720.5158364844865,3142.984806568851,6197.95377012519,7270.703166070794,9529.838184633729,9178.526572151315,2927.6872020923383,554.7529560727469,0.0,80.3125,59.5,93.625,112.5,128.75,100.0,32.0,3.0,0.0,63.261164727272664,63.1936946190476,45.76790444736837,34.20824051111107,20.687403859649077,8.360408882352957,4.542552000000001,1.016064,0.0,154.9570630208054,198.8497979365235,146.6333650456379,138.97528546422112,93.63061972635393,54.88227510904338,45.86140258863011,31.083744430930263,0.0,7.54568290909091,7.726861904761907,7.674375684210529,7.764015911111109,7.258257964912278,7.216082117647058,7.259543999999998,6.718464,0.0,1.10201766672209,1.4373554293333337,1.0879609977194482,1.0919224913132004,0.852379955500475,0.5663449146385091,0.5033251953867502,0.44461290484899996,0.0,169.1143562038403,149.66594316994528,163.10404658224184,161.57118146823987,167.19014359006542,179.97110925786893,182.98045013077115,184.91765202424895,0.0,3.6505681818181817,2.8333333333333335,2.463815789473684,2.5,2.258771929824561,1.9607843137254901,2.0,1.0,0.0,0.3742552123388386,-0.1391642077263858,-0.02612674293059447,-0.11919266300264462,0.17559965806198202,-0.1068185477568259,-0.00458067782405399,0.03315557500910334,0.0,756.9471250909094,-35.00554913223091,103.59327584297556,-625.3468685041316,-167.867137553719,228.62650192561927,60.402247933883956,57.123966942148655,0.0,984.5731867127781,-131.92223328997002,195.78748947158113,-560.6317009217312,-669.4011020811433,422.248115360453,178.93931798470229,72.69352011971787,0.0,1.9756974545454533,-0.11200538842974976,-0.39811342148759965,-1.1816033388429692,1.0071984132231362,-0.20528519008264867,-0.1556243305785136,0.0575845289256189,0.0,4.276936093049454,-0.8890113614016545,0.588844751173036,-1.23392758796688,-3.4549735787299434,1.7004081544943437,0.9049863738505743,0.2452052020558007,0.0,23.906329579285813,-5.411859017431893,2.4852402612829114,-4.962809278468585,-19.078948701160485,8.781780598660156,5.020351971978715,1.2130793754963052,0.0,28.5369318181818,-4.600594008264464,-1.8024276859504145,-14.010201446280997,13.222494834710744,-3.952091942148762,-3.981404958677686,0.8557592975206614,0.0,0.0170116005608563,-0.0066268670345898,-6.875458665945914E-4,-0.002648725844503214,0.003080695755473369,-0.0020944813285652137,-2.862923640033744E-4,0.01105185833636778,0.0,34.40668750413224,-1.6669309110586148,2.726138837973041,-13.896597077869592,-2.9450375009424388,4.482872586776848,3.7751404958677472,19.041322314049552,0.0,44.75332666876264,-6.282011109046191,5.152302354515292,-12.458482242705138,-11.743878983879707,8.279374810989275,11.183707374043893,24.23117337323929,0.0,0.08980442975206605,-0.005333589925226179,-0.01047666898651578,-0.026257851974288204,0.0176701476004059,-0.0040251998055421305,-0.0097265206611571,0.019194842975206298,0.0,0.19440618604770246,-0.042333874352459736,0.015495914504553579,-0.027420613065930667,-0.06061357155666567,0.03334133636263419,0.056561648365660896,0.08173506735193357,0.0,1.0866513445129915,-0.2577075722586616,0.06540105950744504,-0.11028465063263522,-0.33471839826597344,0.17219177644431677,0.3137719982486697,0.40435979183210174,0.0,1.297133264462809,-0.21907590515545067,-0.04743230752501091,-0.3113378099173555,0.23197359359141656,-0.07749199886566199,-0.24883780991735538,0.2852530991735538,0.0,-0.38954988455573214,-0.04041629499440721,-0.1557011543404054,0.18109382150448858,-0.12312076815303412,-0.01682924325546023,0.6496659909707797,0.0,-0.04844787545614254,0.07923281884214026,-0.4038923269262875,-0.0855949152497967,0.13029073450440282,0.10972112602860572,0.5534192244389318,0.0,-0.14036970157641868,0.11512668974643055,-0.27838114325925695,-0.2624135423674954,0.18500020953231602,0.24989667152162803,0.5414384846200138,0.0,-0.05939116745077348,-0.11666093772255987,-0.2923892735222687,0.19676253887686845,-0.04482184026617603,-0.10830780494915765,0.2137404917352053,0.0,-0.21775991398788128,0.07970895792766217,-0.14104804802457432,-0.3117882861083063,0.17150347445452716,0.2909457230531855,0.4204344985806049,0.0,-0.2371575515550108,0.06018587271592258,-0.10149037332858765,-0.3080274091189621,0.1584609243008746,0.28875130908644303,0.3721154847632615,0.0,-0.1688923653084929,-0.036567027324408634,-0.2400199104031859,0.1788355907189578,-0.059740969558555186,-0.1918367346938777,0.2199104031856647,0.0,1.3130308495797796,1.140339201771911,1.394515180150785,0.40046463011892547,0.9605712993279962,1.4655788721748637,0.6917990824674242,0.0,1.219570409081255,1.0079204161028348,1.5235731323525317,0.9420743159829299,0.6626982975295687,0.6894628410304371,0.0,0.0,1.5811164170209326,0.9771190281658081,1.387850487799654,1.2234934502781372,0.4588820204123991,0.31691565714932607,0.0,0.0,0.9894085734142588,1.2930348080724294,1.5883646520777572,0.4259741278016807,0.9259230255609949,1.1317555199839213,0.0,0.0,1.7959198245738632,1.0458819619216615,1.3001280787374396,1.2802021695933337,0.38155766637938304,0.16284005847327304,0.0,0.0,1.8352295420501632,1.0784758181846479,1.2824459344643175,1.2651858096513287,0.37746643063461366,0.15010327265902787,0.0,0.0,1.1169736187157797,0.9719053731890709,1.1396051103368183,0.4603337612323494,1.276982988317279,1.7477351916376318,0.0,0.0,31.009082206234414,15.754541103117212,23.05410271585133,31.38408220623442,3.9230102757793026,15.754541576675692,0.5000000000000107,0.15517022679022774,0.019396278348778467,-1.4905860218624432,27.279761088382152,3.409970136047769,2.6449160601437276,31.020339189438275,15.759435173817826,23.060665126051223,31.39423755808631,3.9242796947607888,15.759435644869702,0.4985311581973768,0.155072589437397,0.019384073679674624,-1.4910895621912292,27.286002474135685,3.4107503092669607,2.645099072651887,41.20756464405534,20.20478784396964,29.325506887251443,40.609072926968295,5.076134115871037,20.20478784831817,-0.7979889561160576,0.03629187239222015,0.0045364840490275185,-2.6529291710573437,40.83030178895049,5.103787723618812,2.967539597325882,31.032154391497095,15.764571995967485,23.067553824795723,31.404896591825505,3.925612073978188,15.764572464402926,0.49698960043787643,0.15497001551793138,0.019371251939741423,-1.491618903238265,27.292564413465676,3.4115705516832096,2.6452914394283944,52.2574718770006,25.046441674161155,36.73304714064729,50.63403048049189,6.329253810061486,25.04644167419224,-2.1645885286782907,0.11119488304544511,0.01389936038068064,-1.757176731202228,470.94313199037884,58.867891498797356,4.923789878282371,32.19178991271465,16.269029142235624,23.74799591574495,32.4514911915321,4.056436398941512,16.26902941394645,0.34626837175660086,0.14443205883738341,0.018054007354672927,-1.5479568504444745,27.994695403143076,3.4993369253928845,2.665612033871648,34.57686827305838,17.78013864167695,27.2267124057962,35.30521775954437,4.413152219943046,17.780138713060087,1.0202380952381063,0.18711309961070355,0.023389137451337944,-1.3408336273595487,23.845338282726136,2.980667285340767,2.537270990708654,0,11.9963552290824,15.998258890633444,-0.4053362241110941,0.06605444555817613,4.090402434342497,8.230128359032665,7.0,21.0,21.0,21.0,7.0,0.0,0.0,0.0,0.0,0.0,17.220898,3.5587623839532485,2.987239794296778,2.6928588996604126,2.3335527931030464,2.0390709819629254,1.396580954109294,1.1738804845985227,0.12169744197382759,1.8492656309563187,1.4489587384632465,1.3775323330597802,1.2496297225843553,0.8211693683927901,0.38949157020739317,0.08392307051869073,0.08392307051869097,3.5195124617148292,2.9044140833570014,2.6767135635497006,2.405454587841289,1.9568584435317409,1.2482124127793668,1.1100822722934882,0.2709139018929376,1.8307566236397026,1.4230487200432798,1.3059176106597157,1.1345406859483511,0.7672059076492362,0.3321642555050815,0.027467598569282572,0.2709139018929366,3.6700816000821512,3.170296628902175,2.962454833798722,2.70423698723352,2.363259079341526,1.7887343617846154,1.6269642430851246,0.9439184268026231,1.637177641675963,1.1083896086135463,0.9569829517282096,0.760318560430898,0.3035853100320553,0.2860991990704894,0.5191632644554837,0.9439184268026216,3.5204174130923285,2.9050331482994065,2.6979479872012395,2.457539916041692,1.9688872222695877,1.2374278717474436,1.1177140268635257,0.3992772455089824,1.819562277181701,1.4099670364311414,1.2577324842516406,1.0582626705327114,0.731912943464906,0.27103691324047796,3.507454426024559E-4,0.39927724550898114,3.7055484800990004,3.225285504363045,3.057844795175229,2.838982085149649,2.465416766492909,1.9340091490158715,1.7118143504189713,1.2076448229620893,1.5986233443165667,1.0428072537196775,0.8602046973796239,0.6313372621875608,0.1904318588626241,0.438848791409208,0.610295578505121,1.207644822962087,4.213901948779101,3.6474059864048476,3.0414531335442523,2.63465439805179,2.5981882398596374,1.8770130941418195,1.6225409269559365,0.5853658536585372,1.7339587310134685,1.176544545717988,1.0116391108629346,0.8785568370761783,0.4426384271511883,0.29000971417414306,0.3913409416175439,0.5853658536585356,0,0,0,0,0,3,1,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2071067811865475,0.25,0.0,0.0,0.8463526704200182,0.14433756729740646,0.0,0.0,1.4571067811865475,1.3838834764831844,0.5303300858899106,0.946923425058676,0.6536142769378209,0.13693063937629152,6.621320343559642,3.6213203435596424,3.267766952966369,1.8838834764831842,0.8535533905932737,0.17677669529663687,0.0,0.0,0.8276650429449552,0.5173314776513774,0.3630852169962632,0.2691262109261692,0.21338834764831843,0.17677669529663687,0.0,0.0,5.769675448336916,2.7821535923059066,2.4374235819297274,1.2664513292522248,0.37131241682470856,0.04564354645876384,0.0,0.0,0.7212094310421145,0.3974505131865581,0.2708248424366364,0.18092161846460356,0.09282810420617714,0.04564354645876384,0.0,0.0,11.22239283533483,21.876183539694097,20.776470588235302,21.12,12.550360479041911,170.76413293413177,0.5101087652424923,0.9943719790770044,0.9443850267379683,0.9600000000000001,0.5704709308655415,7.762006042460535,0.7938,32.79079999999998,17.442645893742466,25.361634972434643,34.88529178748493,4.360661473435616,17.442645971473272,0.11649041410494038,0.014561301763117547,-1.7199570333782301,30.162248150303977,3.770281018787997,2.725272864923441,52,1.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.668611111111111,0.0,13.471041666666668,0.0,0.0,0.0,3.3551277006172837,0.0,0.0,0.0,0.0,0.0,0.0,0.668611111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6369444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.54375,0.0,0.8931944444444443,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-0.15798611111111094,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.452986111111112,0.0,5.018055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.668611111111111,0.0,5.018055555555556,0.0,0.0,0.0,3.3551277006172837,0.0,0.0,0.0,0.0,0.0,0.0,0.668611111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.35111111111111115,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6484722222222223,0.0,0.19527777777777766,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-0.15798611111111094,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.452986111111112,0.0,5.018055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.668611111111111,0.0,8.452986111111112,0.0,0.0,0.0,3.3551277006172837,0.0,0.0,0.0,0.0,0.0,0.0,0.668611111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.947638888888889,0.0,0.6979166666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.452986111111112,0.0,5.018055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.75,2.46875,0.668611111111111,8.452986111111112,0.10416666666666674,-0.15798611111111094,2.7867131250000003,1.407986111111111,2.4529861111111115,7.942083333333334,1.407986111111111,2.4529861111111115,7.942083333333334,3.66666,0.45833,0.0,0.04167,0.51515,0.89167,0.42308,0.51515,0.82593,0.09207,0.0,-0.09207,0.06574,0.51402,0.20027,0.0,0.5,0.0,0.13636,4.25,0.53125,4.25,0.53125,0.0,0.0,-4.25,-0.53125,0.0,0.0,7.18692,0.89836,9.32652,2.1396,0.26745,2.7521,0.34401,3.62132,0.86922,0.10865,0.29268,0.03658,0.29268,0.03658,0.0,7.02,2,2,2,2,1,1,1.0,1.2406705316766886,2.181899057917561,3.2655833228877333,3.265583322887733,3.265583322887734,2.8601804484661613,27.29475169688715,48.00177927418634,71.84283310353014,71.84283310353013,71.84283310353014,62.92396986625555,0.27821270461723324,0.489277388804159,0.7322868926254827,0.7322868926254826,0.7322868926254829,0.6413778017163919,3.2187610869606087,2.2775325607197363,1.193848295749564,1.1938482957495644,1.1938482957495635,1.599251170171136,0.2824637684978126,0.49675350114773853,0.7434761672624723,0.7434761672624722,0.7434761672624725,0.6511779940204534,11.58313237654466,20.64427103711698,21.736435166138442,21.736435166138442,21.73643516613844,16.87160067307957,29.245189717995448,17.915122108876496,17.585891748488592,17.585891748488596,17.585891748488596,15.153474501959158,8.0,3.111111111111111,3.673469387755102,8,0,4,1.9000000000000001,1.0714000000000001,1.1447142425533319,2.1822472719434427,0.0,2.381101577952299,1.0,0.0,1.4142135623730951,0.0,0.0,0.0,0.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.6469999999999999,0.6479999999999999,0.555,0.198,3.566,9.0,7.0,4.0,1.0,0.0,0.0,0.0,0.0,0.0,36.0,2.0794415416798357,2.302585092994046,2.0794415416798357,1.6094379124341003,0.6931471805599453,0.0,0.0,0.0,0.0,0.0,3.6109179126442243,1.0,0.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.42857142857142855,7.0,1.0,0,3.0,5.0,0.6666666666666666,3.0,1.1111111111111114,0.375,0.08000000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.42857142857142855,0.12345679012345682,0.05357142857142857,0.020000000000000004,0.0,0.0,0.0,0.0,0.0,0.0,0.625599647266314,17.442645893742466,25.361634972434643,34.88529178748493,4.360661473435616,17.442645971473272,0.11649041410494038,0.014561301763117547,-1.7199570333782301,30.162248150303977,3.770281018787997,2.725272864923441,29.46,129.91281985712226,4.0,3.4965075614664802,4.174387269895637,4.990432586778736,5.6937321388027,6.517671272912275,7.226209010100671,8.052296499538647,8.76201995356159,9.58870831219998,73.50196460525672,2.70805020110221,0.0,3.9318256327243257,0.0,5.3612921657094255,0.0,6.86171134048073,0.0,8.385944904806284,8.634620608292202,118.099379688,5.3681536221818185,14.431060601229376,1.803882575153672,5.032012081801234,5.032012081801234,0.0,67.0,7.0,0.5459999999999998,32.0,1.2242380952380951,2.103452975992568,2.8971429254554435,3.4087333135307394,3.839339645269997,5.281724050741372,6.229748937717422,0.0,0.0,0.0,89.40323074295232,108.22679394203921,106.79511390716728,84.66527117188878,42.74249107059856,27.257505394030396,6.3298236246529145,0.0,0.0,0.0,266.22505683343064,334.6361900885435,414.5202203116006,335.6382138875743,237.92205936294908,254.75817052079717,193.64392384886764,0.0,0.0,0.0,9.526009392380947,16.259726194866904,22.54139494756275,25.040528983420764,28.13675617948868,38.88419524339751,41.854343967092746,0.0,0.0,0.0,1.8685174716286663,2.4280666099578068,3.2149107941306214,2.9463494400821064,2.312283584216751,2.6977900353757636,2.7698267716785145,0.0,0.0,0.0,181.30318991045203,339.12032343835136,466.38043684059033,569.8481115481187,685.2598744426817,965.4544505193858,1151.990546263265,0.0,0.0,0.0,3.5631964285714277,5.420846892245827,7.359279232678274,8.488849750118199,8.482892580852555,11.55571064652947,6.229748937717422,0.0,0.0,0.0,0.43386245714285726,0.5863470917477797,0.76913019275472,0.7040649210223955,0.5916236120864208,0.7118658942352727,0.6379262912222641,0.0,0.0,0.0,259.84944050897434,219.9831597506636,12.860675796552265,90.35770250438622,-76.49496133526921,-26.47613289663171,169.49173800458811,296.4781210859328,39.336808693183976,0.7419878368930385,0.6281515501306356,0.036723053921437654,0.2580121631069617,-0.2184277587175054,-0.0756013503003325,91.0011301742681,77.03967388733157,4.503900527931643,31.64391284331227,-26.789081864142105,-9.27213085977144,0.24773290454922786,0.46729428421770913,4.3349641843612625,23.555178892690076,267.3211295869151,82.88601342644546,0.7633228930933506,0.23667710690664961,541.3659732885138,23.26727257949487,8.150113405216942,685.3283744157087,26.178777175714465,8.816568194446798,955.5598042085993,30.91213037318197,9.849615810239973,1.8827346321965417,1.736399493500992,469.8241369741606,464.9822031606373,119.2640743050593,1.0104131594297825,3.93936011084463,3.898761683851952,3.971698806537228,3.7303737752946557,6.5414707395221106,0.7535697851096466,4.340044795974834,4.942436843539747,7.584147302124367,14.421502410009122,8.548566365479745,10.999218869320073,9.625209904300444,5.704741869176752,3.0290955645825153,2.595900875855618,0.9811500900332868,2.2861115272893886,1.4792050937751795E-9,2.506071984929006E-40,8.189071012861242E-93,5.161211278076559E-167,6.274000411760564E-263,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38413517574420897,5.323363322724269,0.5908158604296836,5.787874354016609,1.824336435105992,0.7665413202550047,0.4638800796024989,0.31761405610048543,0.17229531535949913,0.09462077423431564,0.6241156210258724,0.19249042035502228,1.6535730675060733E-10,2.801486784948641E-41,9.154395548692607E-94,5.769612874974676E-168,7.013577162991159E-264,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1205854055769695,4.6146696907074585,1.336302450789584,6.460827404303735,2.852790989210344,1.737820521492438,1.3500610459926228,0.9327053550565415,0.5027664022134207,0.38664731809485153,0.3791792986882206,0.37029511059249426,2.864465910321254E-10,4.852983700150988E-41,1.5858055308782777E-93,9.994634773530245E-168,1.2149539963784264E-263,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.319606396156915,5.322075757813489,8.303185361131822,14.456031208102008,8.332835717651125,10.265169994211416,9.300398586194971,5.5769322520688895,3.0070049260797767,2.36547009092681,1.0993040133188037,2.651632762769193,1.8579364526298508E-9,3.1477194384782013E-40,1.0285777170519762E-92,6.482672949458341E-167,7.880377408104894E-263,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5846357804526654,4.34537139754773,1.698531992034881,7.14938585098497,3.580426028162031,2.668672217149839,2.1098343796527055,1.4087062791391691,0.7434483879877102,0.6520010087825203,0.3121626186539992,0.4188944699017257,2.836356684453929E-10,4.805360780779162E-41,1.5702438283046316E-93,9.896556206739172E-168,1.203031505023618E-263,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.421862825493501,5.183002782886957,10.694055727677975,17.754247103663545,10.743460114463062,15.278393223501546,13.498247847716735,7.837866963231101,4.170844868164602,3.536892710397593,1.3099172282564753,3.3376199206730224,2.160392100912497E-9,3.6601402632476024E-40,1.1960210525882546E-92,7.537994646450983E-167,9.16323300241011E-263,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.762208287897983,5.637836345384538,7.617740816098863,12.397623358612622,5.6329172273940635,6.197688932842071,5.378570832271402,3.462304367268741,2.578383980130322,1.0596547016754614,2.1791327404193206,3.6684631110489048,3.041125748932394E-9,5.1522812492055015E-40,1.683606747200979E-92,1.0611032823933726E-166,1.2898837253447064E-262,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.5061264529448595,1.0541172109949974,0.9155334372907105,0.640297511773613,0.19250550040798894,0.4790261901514662,0.4400761597664552,0.5248746498240983,5.475777101230567,7.870923794504058,16.730391847420538,0.46044626766041946,1.4439769997420195,3.502139199325054,0.5674287387330403,0.48451320664546615,0.7690111546207461,0.12459785425496103,0.4767959138370755,0.1888510438487504,0.09303105266953929,4.55408114470356,3.95897384007066,9.475886619935444,0.6535167319311191,0.7586780103553652,3.2017771450217483,0.7600824571347938,0.6851285136810898,0.6890005020907224,0.16356453646703312,0.3986112195605016,0.2288598393580983,0.2835257841864062,4.646988115837631,5.147997620224821,11.462324516954656,0.5335007531360836,0.9109968431050062,3.5925675369384282,1.008595541039758,0.9030294884511655,0.6526965569573047,0.1832413253837244,0.5027183355400974,0.4029373060205381,0.5083010434319951,5.504192566429352,7.778433539227317,16.55470613708641,0.47904483543595705,1.4139566849926306,3.142479189503845,0.8852374633510276,0.7514023518594122,0.657543615550062,0.1852302615770395,0.3842058280431781,0.31035147272319424,0.3464181646121072,4.779119004714285,5.808276071928248,12.677676425331063,0.4863154233250931,1.0409754653784795,3.5757310586152045,1.0805748566827915,0.9432548683739179,0.6385734875924353,0.19297493114704686,0.4983809862840356,0.46244986220019085,0.5585431148026987,5.599560783671914,8.255928299442438,17.500079761881963,0.457860231388653,1.5193739632869252,3.608410190110728,1.0228058016540857,0.8994440598498809,0.6524375312232834,0.18493376777975612,0.5074131611633397,0.4143347775991427,0.5068208508025567,5.530660051614694,7.8562225908676115,16.70646342204439,0.478656296834925,1.428568789565039 +UMLCN0029,L,"3,7-dimethyl-1-octanol",CC(C)CCCC(C)CCO,Alcohols,,C10H22O,Marquardt (2015),IQT,PubChem,,29.3,0,0.19279999999999964,0.03717183999999986,44.8067,33.071445999999966,0,0,33,11,22,0,10,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1720.9626189999976,1760.9169179999992,2092.9250709999974,1940.708668999996,1739.5749119999946,1358.6052979999959,1220.3943859999968,845.0035909999999,568.1791140000007,5135.402171938115,6605.864192226146,9038.143159450712,9804.731686121204,8767.459095356819,7078.369349898215,5873.753421273536,4825.366247784711,3006.4227255044493,236.56308400000015,236.83996800000008,440.439364,597.3116120000005,653.1038880000007,535.8515359999998,424.0222879999998,343.329572,336.260664,38.31368790667802,50.35863849600001,74.38296317988596,86.60979985262087,80.70693117360089,64.4740537794131,52.85187512716809,44.49724741443306,30.579274160865957,5521.583191235979,4695.25031189205,9586.669193285388,13638.070738598126,15672.891189205855,12689.498405491266,10137.49948129127,7902.086918934935,8463.419127192517,84.80555555555556,71.41666666666666,111.50000000000001,141.49999999999997,146.94444444444446,131.91666666666666,98.66666666666669,89.66666666666666,82.33333333333333,52.150382393939324,55.028653687499975,34.310247065573726,23.103674630952334,18.705106580645104,18.114737306666612,20.33990643333328,17.604241479166664,11.837064875000015,155.61824763448834,206.43325600706706,148.16628130247068,116.72299626334767,94.27375371351418,94.37825799864287,97.89589035455894,100.52846349551481,62.63380678134269,7.168578303030308,7.401249000000003,7.220317442622951,7.11085252380953,7.022622451612911,7.144687146666664,7.067038133333329,7.152699416666667,7.0054305,1.1610208456569098,1.5737074530000004,1.2193928390145239,1.0310690458645342,0.8678164642322677,0.8596540503921747,0.8808645854528016,0.9270259878006888,0.6370682116847074,167.32070276472663,146.72657224662657,157.15851136533422,162.357984983311,168.52571171189092,169.19331207321687,168.95832468818784,164.62681081114448,176.3212318165108,2.56986531986532,2.231770833333333,1.8278688524590165,1.684523809523809,1.5800477897252092,1.7588888888888887,1.6444444444444448,1.8680555555555554,1.7152777777777777,0.24579012881531875,-0.1027244091649621,-0.029101697444813956,-0.010451551629017874,0.03893084465853882,-0.038225251100249664,0.02270283789066302,-0.026219641850325288,0.05260379742484965,961.7462182424235,-67.15739005326122,-211.9279303269068,-374.05465937465635,178.15530565013808,-78.05346088429755,168.8299507107442,-366.60224092837507,306.54229388980826,1566.919921982583,-75.33551423004135,-305.1442086614539,-654.50779113614,110.18701361199469,-6.8806659681487545,282.92447387327525,-671.6583019185725,317.8792164790154,1.1598402424242413,-0.07724217447199089,-0.13910784205693175,-0.11640292011019282,0.20137883195592057,-0.2154346115702468,0.02751907438016438,-0.11823392837465538,0.2164500716253429,6.949992823922972,-0.21574451535619368,-1.1344578400938352,-2.818551522624124,-0.13238432878185885,0.2918871330723664,1.1565926150162928,-3.0017824058638016,0.6845824281993633,38.130881807322915,-0.9884498249338786,-5.802474488603283,-15.140882250984877,-1.7470043073559256,2.06025869045584,6.087815415846703,-16.326969744633494,2.487878862134525,25.693602693602685,-3.3165238240995794,-1.4041679420467283,-3.8160391796755535,5.258264462809912,-5.429905111723306,1.3702173247627802,-5.034129170492813,7.262167125803476,0.007448185721676326,-0.0032101377864050657,-4.7707700729203206E-4,-1.2442323367878422E-4,4.1861123288751417E-4,-5.096700146699955E-4,3.783806315110503E-4,-5.462425385484435E-4,0.0010959124463510344,29.143824795224955,-2.0986684391644133,-3.4742283660148656,-4.453031659222099,1.915648447850947,-1.040712811790634,2.813832511845737,-7.637546686007814,6.386297789371006,47.48242187826009,-2.3542348196887923,-5.002364076417277,-7.791759418287381,1.1848065979784375,-0.09174221290865006,4.71540789788792,-13.992881289970262,6.622483676646154,0.035146674012855796,-0.0024138179522497152,-0.0022804564271628157,-0.0013857490489308669,0.002165363784472264,-0.0028724614876032904,4.5865123966940636E-4,-0.002463206841138654,0.004509376492194644,0.21060584314918096,-0.006742016104881053,-0.018597669509735005,-0.03355418479314433,-0.0014234874062565468,0.0038918284409648857,0.01927654358360488,-0.06253713345549587,0.01426213392082007,1.1554812668885732,-0.030889057029183705,-0.09512253260005382,-0.18024859822601044,-0.018784992552214254,0.027470115872744536,0.10146359026411171,-0.3401452030131978,0.0518308096278026,0.7785940210182631,-0.10364136950311185,-0.023019146590929972,-0.045429037853280396,0.056540478094730236,-0.07239873482297741,0.022836955412713005,-0.1048776910519336,0.15129514845423908,-0.4309959373143257,-0.06405278078708525,-0.016705173357409366,0.05620311422541964,-0.06842874677342049,0.050801718116380436,-0.073339006163437,0.1471381739531037,-0.07201074168920572,-0.11920976022969015,-0.15279503258445687,0.06573085246397771,-0.035709548046732306,0.09654987056835337,-0.26206397889336686,0.21913039329063505,-0.04958118660679949,-0.1053519150569617,-0.16409776734355774,0.024952530875871418,-0.0019321300236931343,0.0993084958888097,-0.29469603142498774,0.1394723229077384,-0.06867841751873305,-0.06488398948727496,-0.03942760126958226,0.06160935124843468,-0.08172783252698716,0.013049634212945525,-0.07008363978445507,0.12830165638276966,-0.03201248362375872,-0.0883055723034308,-0.15932219301900608,-0.006759011929446948,0.01847920448345842,0.09152900648606646,-0.2969392136532423,0.06771955472630263,-0.026732633331529757,-0.08232286868327636,-0.15599439245897562,-0.016257288707758645,0.023773744031969295,0.08781067523260519,-0.2943753505663706,0.044856468999597214,-0.1331134926615122,-0.02956501844289146,-0.05834752981260665,0.07261869031666246,-0.09298650242432209,0.02933101821517498,-0.13470138251867406,0.19431840518935892,1.3969441524697794,0.8102492278029615,0.6787584666217884,0.5298880255738398,1.1692065681011807,0.9051878763966493,1.0836429606877513,0.8085194682353172,1.4468579970534894,1.2495327599232775,1.147172981441688,0.8038869743363888,0.9778517081273094,0.8004008905870887,1.252264014306134,0.5504794084876601,1.5462090783806923,1.3150033739232008,1.2286098283687392,0.8818675008540483,0.8890648100517844,0.8005329687698809,1.2880164581330869,0.5592172942217764,1.056328238309101,0.8789217252494422,0.6772124789122327,0.5350135422634908,1.3066656578199598,0.8172325509406632,1.0624359760309738,0.8730075887149357,1.5760170887710832,1.321229303372715,1.2352915639034712,0.9097242508987309,0.8600345564666759,0.8026280349786193,1.2929038420002248,0.6041155430084899,1.5783077947500064,1.3168434699597615,1.2293693048701146,0.9134821354127048,0.8569364885743747,0.8035342291563938,1.2911624107147943,0.6228931402849063,1.136253439916132,0.8166860368943764,0.6931501207480768,0.5092639953331277,1.3146376621674751,0.7939719564932515,1.1740925173633865,0.8122788625343995,71.89688768981581,36.07344384490788,56.220202333200156,72.10143314436121,6.554675740396473,36.07344384490788,0.24999999999994316,0.036313961673382966,0.0033012692430348153,-3.6471082918125233,53.718043124379115,4.883458465852647,4.382123838038895,71.90062932167567,36.074947450387164,56.22203766847851,72.10457388639274,6.55496126239934,36.074947450387164,0.24926557909865465,0.03625577093700266,0.0032959791760911513,-3.6488723832990106,53.721566325204826,4.8837787568368025,4.382195981281589,75.27071363540966,37.43585957867581,57.916174080600584,74.94426360790763,6.813114873446148,37.43585957867581,-0.3989944780580359,0.018673694813129194,0.0016976086193753813,-4.378703383923202,58.34956754126865,5.304506140115332,4.473097141968849,71.90455638623459,36.07652559322676,56.22396406512083,72.10787031368645,6.5552609376078586,36.07652559322676,0.24849480021894266,0.03619469030329536,0.003290426391208669,-3.6507271323743438,53.7252669572434,4.884115177931218,4.382271752621137,78.9478147250208,38.93276023034084,59.8701426755739,78.06230123601607,7.096572839637824,38.93276023034084,-1.082294264339133,0.08532041630963183,0.007756401482693803,-2.707475656599988,71.64432446540587,6.513120405945989,4.698885333130348,72.28949720262655,36.2313156942524,56.41331108783352,72.43115244561784,6.584650222328896,36.2313156942524,0.17313418587825424,0.030177156969096952,0.002743377906281541,-3.8507370358178084,54.10248788715521,4.918407989741383,4.389968188780511,83.00689439309119,41.72234101928046,66.11366221311809,83.35528809916696,7.577753463560633,41.72234101928046,0.49166666666668135,0.04972927263159288,0.004520842966508443,-3.3012776859841804,55.00167944444223,5.000152676767476,4.4081000921317495,0,11.99624948761605,15.997943557490272,-0.421699747312966,0.06997119116758496,4.103493516579899,8.388385259393747,10.0,32.0,32.0,32.0,10.0,0.0,0.0,0.0,0.0,0.0,24.050553999999995,3.5680875540895496,3.3811222090915543,3.000259937198592,2.7237438687630346,2.3335527931030473,2.1778561348033487,2.020531197355827,1.4782472132750182,1.947346490922161,1.808636347235242,1.5135263335676385,1.3790084670776073,1.2496297225843558,1.0554882723158938,0.8373509958418957,0.6426041194696487,3.5892084008431007,3.4003681642707866,2.9858221141134327,2.7341144011809986,2.405454587841289,2.23233756440046,1.964537776117166,1.5455401968284594,1.8935120393888343,1.7506611445174955,1.4572233257334524,1.3031579286534132,1.1345406859483513,0.9480523049028521,0.7688245189449057,0.5049202384287294,3.7064871672066966,3.5382263569532584,3.1956101659187883,2.9761722811304074,2.7042369872335197,2.529749678542117,2.353293782224052,1.958535954959089,1.725176130315477,1.5552199797630801,1.188206519712077,0.987506600281591,0.7603185604308981,0.5736304228303931,0.3164973536184118,0.016856177636438395,3.607197769623584,3.4197810216576365,3.003817675880289,2.7595855165945267,2.457539916041692,2.2799256236926557,1.983861319361605,1.6094303352749477,1.8595992720652184,1.7142754880783047,1.4249596238389843,1.25191431922814,1.058262670532711,0.878579378656872,0.7231943806451036,0.41364269687600835,3.760636654545295,3.598855763860647,3.264421769634411,3.06932699790941,2.8389820851496497,2.657300783112688,2.463437752401089,2.129032791567646,1.6742386739205992,1.4976128327031315,1.1164488632760237,0.8967989244676937,0.6313372621875606,0.4496679602296261,0.19847384184915262,0.15123182018161724,4.374999281544858,3.591040853472124,3.4196823358395525,2.976088393744663,2.6872818674796175,2.661439027051694,2.347339141469462,1.8250819372997233,1.8398128757332737,1.644677309828715,1.2789732651493244,1.0468924848713108,0.8316117643868332,0.7278039994364999,0.43658204905894615,0.2501942217110813,0,0,0,0,0,4,4,2,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696923425058676,0.0,0.0,0.0,0.696923425058676,0.0,0.0,0.0,0.696923425058676,0.696923425058676,0.44758410344446353,0.696923425058676,0.5840863727442721,0.36779625858384735,8.69023444431199,5.163902460147014,4.218597360017604,2.259872253901791,1.5116979803151098,0.6832863638399794,0.5633565647770273,0.1767766952966369,0.7900213131192718,0.5163902460147014,0.38350885091069126,0.251096917100199,0.18896224753938873,0.11388106063999658,0.09389276079617122,0.05892556509887897,8.137448039811948,4.773023444977304,3.9422041577675833,2.1002965641805584,1.2392852382794737,0.6034985189793632,0.5069380386198253,0.14420344403249444,0.7397680036192681,0.4773023444977304,0.3583821961606894,0.23336628490895095,0.1549106547849342,0.10058308649656054,0.08448967310330423,0.04806781467749815,16.67490494606147,32.09686817188638,30.329411764705892,30.759999999999987,19.264338922155694,254.7226323353294,0.5053001498806506,0.9726323688450418,0.9190730837789665,0.9321212121212117,0.5837678461259301,7.718867646525133,2.831200000000002,49.555800000000026,36.59051034223623,56.85583911941048,73.18102068447246,6.652820062224769,36.59051034223623,0.016000650393675098,0.0014546045812431907,-4.548638498760219,55.09840957187483,5.008946324715894,4.410032936482798,122,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,5.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6078865898211137,0.0,8.645185500125976,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6078865898211137,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.5921134101788867,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.740045508944318,0.0,5.24432775888133,0.0,0.0,0.0,1.5371078987150413,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.645185500125976,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6078865898211137,0.0,8.645185500125976,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6078865898211137,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2123456790123457,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.218796296296296,0.0,0.3500448790627362,0.0,0.0,0.0,0.7071759259259258,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.645185500125976,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6078865898211137,0.0,8.645185500125976,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6078865898211137,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.260624606324011,0.0,1.3291354875283448,0.0,0.0,0.0,0.8299319727891155,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.645185500125976,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,22.166666666666664,2.015151515151515,0.6078865898211137,8.645185500125976,0.2123456790123457,0.3500448790627362,6.092736496598639,1.1499551209372638,2.6451855001259763,6.77046201814059,1.1499551209372638,2.6451855001259763,6.77046201814059,5.33333,0.48485,0.0,0.01515,0.45657,0.7697,0.42571,0.45657,0.73056,0.03085,0.0,-0.03085,0.03914,0.62992,0.08437,0.0,0.34375,0.1875,0.0,5.25,0.47727,5.25,0.47727,0.0,0.0,-5.25,-0.47727,0.0,0.0,12.55807,1.14164,13.53413,0.97607,0.08873,4.82563,0.43869,5.16389,0.33826,0.03075,0.25011,0.02274,0.25011,0.02274,0.0,10.01,1,1,1,1,1,1,1.0,1.064794829694994,1.8021652290397436,3.126690709808627,3.6950206341166107,3.8848588918890474,3.4903270734449907,35.138229379934806,59.47145255831154,103.18079342368469,121.93568092584816,128.20034343233857,115.18079342368469,0.21108478134345593,0.3572609884155807,0.619834738489125,0.7325003849196747,0.7701338951650202,0.691921961460238,3.9795992896634593,3.2422288903187098,1.9177034095498264,1.3493734852418426,1.159535227469406,1.5540670459134627,0.21295896593899882,0.3604330458079487,0.6253381419617254,0.7390041268233222,0.7769717783778095,0.6980654146889982,9.101528875984172,15.995088720609665,19.994748344862504,22.151360480437095,20.34410696174234,19.280295496890904,41.1198975147443,28.465707173074243,24.110136729424635,19.507871084848357,22.11850497860928,24.500420709390312,11.0,6.694214876033058,7.901234567901234,11,0,8,2.45,1.5763000000000003,0.7211247851537042,4.282910726134384,2.683281572999748,0.0,4.508797713853318,4.640391524350133,0.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.421,0.415,0.37100000000000005,0.175,5.1579999999999995,11.0,9.0,8.0,6.0,6.0,3.0,2.0,0.0,0.0,66.0,2.3978952727983707,2.4849066497880004,2.302585092994046,2.1972245773362196,1.9459101490553132,1.9459101490553132,1.3862943611198906,1.0986122886681098,0.0,0.0,4.204692619390966,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.6,10.0,1.0,0,4.0,8.0,1.0,2.5,0.8888888888888893,0.5,0.16000000000000003,0.22222222222222227,0.08163265306122448,0.0625,0.0,0.0,0.0,0.25,0.08080808080808084,0.05555555555555555,0.020000000000000004,0.03703703703703704,0.013605442176870748,0.020833333333333332,0.0,0.0,0.0,0.4778394489108775,36.59051034223623,56.85583911941048,73.18102068447246,6.652820062224769,36.59051034223623,0.016000650393675098,0.0014546045812431907,-4.548638498760219,55.09840957187483,5.008946324715894,4.410032936482798,20.23,190.30653166002787,4.459431618637298,3.7612001156935624,4.418840607796598,5.153291594497779,5.831882477283517,6.5722825426940075,7.257707677160043,8.000014093678072,8.687948111838727,9.430840432344976,80.11400765298727,3.044522437723423,0.0,4.174387269895637,0.0,5.442417710521793,0.0,6.771935555839602,0.0,8.131824785007195,8.433376705323127,158.167065324,4.792941373454545,20.48611670076994,1.86237424552454,2.4044093210821025,2.4044093210821025,0.0,194.0,9.0,4.143,42.0,1.2319999999999998,2.1340242565417777,2.885102859979109,3.5077612480214233,4.457304326116087,5.593774314147435,6.684662671778472,7.257877044522135,8.891632453943016,9.390333142481014,79.53165041915621,82.3093981705864,76.50018462928604,82.13020683663545,100.33512757391237,133.52062043376293,134.75151304642318,105.73060961641487,59.974240501455455,9.54117945408183,280.89277214580267,340.787454004275,360.45388952636404,374.3385014175955,477.3990321818871,602.6935024922079,708.7604589658946,501.1226539158151,488.44626453298474,291.8867155221741,9.147112849125,15.46514487242303,20.571783264344337,24.81480780473986,32.09847290160626,39.82581496719998,48.08158654038065,51.319051308160574,67.603040109062,63.08861516576557,2.0823696743888114,2.749148859753375,3.108168640430877,3.3000219507471873,4.178666581589637,5.255654325673062,6.380089946384328,4.875742086177914,4.783180391288671,4.175063295978322,178.3229525532764,331.50827219330154,465.22109293779204,583.52374035897,742.9078825503522,934.4603228751384,1095.6717488840723,1268.8280477083533,1617.2055657218582,1736.4383564330767,2.7990390625,4.017366932488644,4.974088383108681,5.900775037941565,8.30788771914242,9.768908273330224,12.969470465933012,13.722101735979692,23.41735946367734,9.390333142481014,0.4432996593750001,0.5929486715590382,0.67732757270121,0.7328278412000421,0.941616074074558,1.1714839139820479,1.4386803635990209,1.172895038135358,1.3101811477361274,0.961570113790056,447.14108251464404,381.7043374438165,15.497672616009638,144.92337898734868,-123.71460489693064,-21.049653306973433,302.2177035272954,505.4189423407471,36.54732592298307,0.7552236480809938,0.6447006403246714,0.02617565083486687,0.24477635191900624,-0.2089546205544618,-0.03555297552157264,264.73634423445077,225.99357300164812,9.175621191931924,85.8039823391938,-73.24702092823303,-12.462751649996866,0.24567732219234806,0.4635312333922511,4.190296782291561,17.438313944731817,537.3877820786034,54.676679423389324,0.9076507999066834,0.0923492000933167,656.4140212166541,25.620578081234896,8.690790541900089,877.87271099815,29.62891680433407,9.575111714860343,1154.7408320740703,33.98147777943258,10.491272663634765,2.2524964758409904,2.2524964758409904,1719.9103058037988,1629.7489739586933,144.2815096118747,1.0553222203454449,11.920517815695534,11.295619087593476,5.420442422211778,5.645458726178458,10.454936766504202,0.8519197949360248,6.571249031749035,8.919469853119663,5.5522411237158105,36.188746712896545,11.478474963230239,9.435773913017108,9.301734408579202,12.269848828273597,23.68664684087059,5.530252317330454,4.853398396052418,12.993819863137059,6.555885363066796,13.65691064614436,4.236651445088158,2.8446140333020438,2.7351186404013776,3.692609677969671,0.07498678651496887,1.632813571871854,2.5017976249347496E-13,7.395284327834596E-48,4.2163196273361455E-104,4.6364771738512955E-182,9.83373896486815E-282,0.0,0.0,0.0,0.0,0.0,0.5713844468893685,9.046097867368328,0.4329437461546606,10.910961280795233,1.5682204738301713,0.34492894019627734,0.933004706630111,0.5967793938509979,5.682224903982337,0.2258408029778803,0.33644938931733687,1.746603625900189,0.3474645778204875,2.7444310870983233,0.18041911219634965,0.4596454911573075,0.275717446948281,0.17826984454213352,0.05502192015389748,0.18248512422972346,2.796708565045186E-14,8.267037595072854E-49,4.713337760502003E-105,5.183023316717984E-183,1.0992936325208464E-282,0.0,0.0,0.0,0.0,0.0,1.7250495659157037,8.809890533888616,1.1784937017883597,13.594728019583174,2.244809049794179,1.2878761191999115,2.1764562681215294,2.1160068295963916,7.659851578439554,0.8855958963415589,0.8314587575147634,3.4371627250871772,1.2551996395953564,4.247183949258368,0.5554742900715975,0.666719488167671,0.5649610420712449,0.560250697955122,0.032517073689323515,0.3161424804693741,4.844706444148253E-14,1.4320895216416002E-48,8.164861404278058E-105,8.978492352229959E-183,1.9042938588772226E-282,0.0,0.0,0.0,0.0,0.0,6.425681114119691,9.04597824051542,5.692097861342586,34.012765985796776,10.395498236194962,8.734077702669692,8.986539065693853,11.285005743519688,22.81047215171447,5.055880812332898,4.480513247226283,12.137527153278679,6.048625670334308,13.131874764069781,4.158575220281371,2.722234401857238,2.7651462193235012,3.595333528982408,0.08790538440603132,2.0507218874233195,3.142350683661167E-13,9.288751628759697E-48,5.2958539617445314E-104,5.823587436418255E-182,1.2351541168324867E-281,0.0,0.0,0.0,0.0,0.0,2.475504846362797,8.720154797422163,1.637416873568412,16.13113298699016,3.1090118373066504,2.163744307298752,3.081420852702582,3.406369578276101,9.326632728178408,1.4640910801960447,1.30086662129376,4.765630908352323,1.985085348617166,5.402437789225722,0.8636287780649027,0.8980758276089565,0.7728010081880269,0.8620867821520111,0.025212557601660364,0.313076390864558,4.797164750496391E-14,1.4180362529647787E-48,8.084738626135111E-105,8.890385314623791E-183,1.8856067915996507E-282,0.0,0.0,0.0,0.0,0.0,8.116365069462102,8.999817789594077,7.369036177686532,46.10928830611845,16.029029768173785,13.090804563842461,12.061516606837401,16.402671252877262,30.81041644326866,7.4565408234690995,6.5370033744159874,16.591006003160878,8.578474120713581,17.423904799788467,6.016316071640671,3.7056074707407163,3.666606349277574,5.124059465954988,0.09931811958111122,2.3847377610454616,3.653897522732295E-13,1.0800878063060983E-47,6.157972046908834E-104,6.771615853693177E-182,1.4362262592628742E-281,0.0,0.0,0.0,0.0,0.0,5.445904999861137,8.84828350368922,5.733248519365198,23.75548407626779,5.558980440634998,5.592538177294357,6.934704608501615,6.2769955101627835,18.320558417063683,2.7314256014099794,2.7949693538572378,7.7547858956107625,3.6468163950193953,10.471902008164164,3.5818851698256697,1.980151439096134,3.0305682669342024,3.062201848810984,0.21619063838145627,3.7476087089937917,5.743312647315376E-13,1.6977164574474158E-47,9.679296838182672E-104,1.0643841742500586E-181,2.257506234893741E-281,0.0,0.0,0.0,0.0,0.0,9.769065822462425,1.3472205224437932,0.5958801008658194,0.8340955422460675,0.1150274399430282,0.5607421367551384,0.5074515884317593,0.4089324511760363,11.712166445772038,19.78505978958168,39.33965546537298,0.7511433133691012,1.477126176362934,10.285335556984736,0.7447002407475717,0.17154285329883334,0.918204110099958,0.06648172225965844,0.621508364701689,0.1542927727832224,0.03359180539255709,11.20157865103114,9.551615678187366,22.067125418638046,0.8773061651499369,0.8093929428774685,9.442574014266398,1.0033934345983604,0.3478790856891576,0.8748108456089548,0.09295976474987266,0.5238755089143234,0.2814634043037237,0.13856474909978087,10.793846534553916,13.108550376873763,27.19841793119539,0.8122162684134322,0.943903662317828,9.972554267158074,1.3222874599096341,0.5797153906992415,0.839825365127676,0.1113546759509204,0.5842730500881024,0.48883487864208414,0.3871602440939242,11.874557117766951,19.734377035424586,39.253399530320465,0.7597380476915142,1.4602681728241107,9.24528329217824,1.1166461101622955,0.42740409931208695,0.8568910480672529,0.10349537438909055,0.5023481152644892,0.3482997421877145,0.20937013371409685,10.789333501652623,14.75244072890208,29.954170044626395,0.7853365721008795,1.0600179911663004,9.876945051063768,1.3870407421462714,0.6251046966915607,0.8307569918365988,0.11666500001193542,0.5731706878468014,0.5379486346438934,0.45036566766700264,11.8890904899016,20.740895616568043,41.19374866847612,0.7461354877548981,1.5614849901576975,9.988223505236585,1.3281215047847907,0.5810353999013042,0.8395313221140834,0.11163142297081699,0.5861130184947849,0.4931555180791391,0.38882687660532766,11.89738040992268,19.84077148022053,39.445920235103685,0.7592969831711253,1.4680954131792516 +UMLCN0030,L,methanol,CO,Alcohols,,CH4O,NREL (2014),Unknown,PubChem,,5,0,-0.3580000000000002,0.12816400000000014,8.2613,5.229172000000001,0,0,6,2,4,0,1,0,1,0,0,0.0,0.0,0.0,0.0,0.0,404.2963780000001,244.612245,63.536256,3.0481920000000002,0.0,0.0,0.0,0.0,0.0,764.2426564374076,728.9529818128441,454.02874153970987,93.25123329279079,0.0,0.0,0.0,0.0,0.0,47.766087999999996,40.857948,55.68652799999999,20.155392,0.0,0.0,0.0,0.0,0.0,5.2105556193960005,5.214740916,4.051686982546999,1.3338387145469999,0.0,0.0,0.0,0.0,0.0,1051.916249989496,797.89524824985,1263.428333874097,554.7529560727469,0.0,0.0,0.0,0.0,0.0,44.0,24.0,23.0,3.0,0.0,0.0,0.0,0.0,0.0,67.38272966666669,48.922449,9.076608,1.016064,0.0,0.0,0.0,0.0,0.0,127.37377607290126,145.7905963625688,64.86124879138713,31.083744430930263,0.0,0.0,0.0,0.0,0.0,7.961014666666666,8.1715896,7.955218285714284,6.718464,0.0,0.0,0.0,0.0,0.0,0.8684259365660001,1.0429481832,0.5788124260781428,0.44461290484899996,0.0,0.0,0.0,0.0,0.0,175.31937499824934,159.57904964997002,180.48976198201385,184.91765202424895,0.0,0.0,0.0,0.0,0.0,7.333333333333333,4.8,3.2857142857142856,1.0,0.0,0.0,0.0,0.0,0.0,0.21226481140619832,-0.09135578080134843,-0.047677616296053,0.03290099139430227,0.0,0.0,0.0,0.0,0.0,233.18141733333334,-61.77513911111108,-111.12290588888891,56.30733633333332,0.0,0.0,0.0,0.0,0.0,211.45789481605823,-96.97004670133462,-57.31729009045358,48.55838938375908,0.0,0.0,0.0,0.0,0.0,0.9051173333333331,-0.18638977777777765,-0.38939022222222214,0.12322133333333318,0.0,0.0,0.0,0.0,0.0,0.8087074784653333,-0.49704505148844463,-0.015307557360555488,0.10799886961633343,0.0,0.0,0.0,0.0,0.0,4.571362259015328,-2.8981242172134323,0.16447565576443907,0.44796743194132854,0.0,0.0,0.0,0.0,0.0,20.0,-4.0,-9.0,3.0,0.0,0.0,0.0,0.0,0.0,0.03537746856769972,-0.018271156160269687,-0.006811088042293286,0.01096699713143409,0.0,0.0,0.0,0.0,0.0,38.86356955555556,-12.355027822222215,-15.874700841269844,18.769112111111106,0.0,0.0,0.0,0.0,0.0,35.24298246934304,-19.394009340266926,-8.188184298636227,16.18612979458636,0.0,0.0,0.0,0.0,0.0,0.15085288888888884,-0.037277955555555534,-0.05562717460317459,0.04107377777777773,0.0,0.0,0.0,0.0,0.0,0.13478457974422223,-0.09940901029768892,-0.0021867939086507838,0.035999623205444475,0.0,0.0,0.0,0.0,0.0,0.761893709835888,-0.5796248434426865,0.023496522252062724,0.14932247731377618,0.0,0.0,0.0,0.0,0.0,3.3333333333333335,-0.8,-1.2857142857142858,1.0,0.0,0.0,0.0,0.0,0.0,-0.5164630738150549,-0.19252615628106118,0.3099994876809009,0.0,0.0,0.0,0.0,0.0,-0.31790769513749056,-0.4084725366921565,0.48294874417751615,0.0,0.0,0.0,0.0,0.0,-0.5502942140931822,-0.2323351692995596,0.45927241852094264,0.0,0.0,0.0,0.0,0.0,-0.24711462823236172,-0.36875113902622675,0.2722770381151318,0.0,0.0,0.0,0.0,0.0,-0.7375399358467805,-0.016224362703809406,0.26709007272018936,0.0,0.0,0.0,0.0,0.0,-0.7607686426070347,0.03083963281062378,0.195988594453602,0.0,0.0,0.0,0.0,0.0,-0.24,-0.38571428571428573,0.3,0.0,0.0,0.0,0.0,0.0,1.3127301458490603,1.0808704245824439,0.2900854328925305,0.0,0.0,0.0,0.0,0.0,1.2947692378437266,1.2180219729687662,0.0,0.0,0.0,0.0,0.0,0.0,1.875735535232955,0.8030460462621752,0.0,0.0,0.0,0.0,0.0,0.0,1.1177865705809045,1.3444381638707825,0.0,0.0,0.0,0.0,0.0,0.0,2.3438498396169503,0.46867868598789264,0.0,0.0,0.0,0.0,0.0,0.0,2.401921606517593,0.427198852487434,0.0,0.0,0.0,0.0,0.0,0.0,1.1,1.3571428571428572,0.0,0.0,0.0,0.0,0.0,0.0,1.520690632574555,0.8853453162872775,1.520690632574555,1.520690632574555,0.7603453162872775,1.374619918354065,0.25,0.1166450863425299,0.05832254317126495,-0.42972388089670255,1.423933815210316,0.711966907605158,0.07068466676540025,1.5220190576426718,0.8856423183706826,1.5220190576426718,1.5220190576426718,0.7610095288213359,1.3746638952251515,0.2492655790986935,0.11619786504163976,0.05809893252081988,-0.430492161573749,1.423858659737484,0.711929329868742,0.07067411045225445,2.826294180029423,1.2136498509856986,2.826294180029423,2.826294180029423,1.4131470900147114,1.5184418389184078,-0.3989944780580257,0.10007477337533022,0.05003738668766511,-0.46036752773087014,1.4213488483491996,0.7106744241745998,0.07032126279075476,1.5234139053217757,0.8859543527703568,1.5234139053217757,1.5234139053217757,0.7617069526608878,1.3747104162614106,0.248494800218938,0.11572933024786902,0.05786466512393451,-0.43130023486687197,1.4237802448908183,0.7118901224454092,0.07066309573454456,4.302924411120924,1.610315073390886,4.302924411120924,4.302924411120924,2.151462205560462,1.8037031544122466,-1.0822942643391518,0.1793021775489677,0.08965108877448386,-0.34373655074421006,1.4375097766330347,0.7187548883165173,0.072582458960453,1.6627699012708592,0.9179520435745805,1.6627699012708592,1.6627699012708592,0.8313849506354296,1.3810248787830073,0.17313418587830176,0.07372701500360301,0.03686350750180151,-0.5214771986613351,1.4180729041643616,0.7090364520821808,0.06985976803246689,0.9428090415820634,0.804737854124365,0.9428090415820634,0.9428090415820634,0.4714045207910317,1.4127286068099256,0.6666666666666667,0.541196100146197,0.2705980500730985,-0.12279471772995157,1.6817928305074292,0.8408964152537146,0.10397207708399181,0,11.9969734422139,15.9979411777861,-0.425376469352967,0.05887355835894521,2.666419115825281,3.11158088417472,1.0,5.0,5.0,5.0,1.0,0.0,0.0,0.0,0.0,0.0,4.372828,2.895253422373119,1.4672228674364147,0.08392307051869136,0.08392307051869116,0.4221294681228177,1.4404717072083195,0,0,1.4404717072083195,0.4221294681228177,0.08392307051869116,0.08392307051869136,1.4672228674364147,2.895253422373119,0,0,2.788287930293494,1.301659971703444,0.2709139018929372,0.2709139018929369,0.4125150581325836,1.4208059356616294,0,0,1.4208059356616294,0.4125150581325836,0.2709139018929369,0.2709139018929372,1.301659971703444,2.788287930293494,0,0,3.1245894369135714,1.9100879967014823,0.9439184268026221,0.9439184268026221,0.22754426171126452,1.0437220594923777,0,0,1.0437220594923777,0.22754426171126452,0.9439184268026221,0.9439184268026221,1.9100879967014823,3.1245894369135714,0,0,2.7865161756411654,1.2856828258653485,0.399277245508982,0.3992772455089817,0.38500376456299334,1.4084012249674727,0,0,1.4084012249674727,0.38500376456299334,0.3992772455089817,0.399277245508982,1.2856828258653485,2.7865161756411654,0,0,3.1903348578294333,2.034113601443616,1.207644822962088,1.2076448229620875,0.36483477157491606,0.9646075117285815,0,0,0.9646075117285815,0.36483477157491606,1.2076448229620875,1.207644822962088,2.034113601443616,3.1903348578294333,0,0,3.8221026130335156,2.1432304829582938,0.49999999999999994,0.49999999999999967,0.1623763650153748,1.1277094610071863,0,0,1.1277094610071863,0.1623763650153748,0.49999999999999967,0.49999999999999994,2.1432304829582938,3.8221026130335156,0,0,0,0,0,0,0,0,0,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4472135954999579,0.4472135954999579,0.0,0.0,0.0,0.0,0.0,0.0,0.7236067977499789,0.4472135954999579,0.0,0.0,0.0,0.0,0.0,0.0,2.7984547119886027,6.106336489439184,5.800000000000002,5.92,3.0773485029940124,47.46833652694611,0.46640911866476714,1.017722748239864,0.9666666666666669,0.9866666666666667,0.5128914171656688,7.911389421157685,-0.39149999999999996,8.1428,1.0,1.9999999999999998,1.9999999999999998,0.9999999999999999,1.4076059644443804,0.0,0.0,0.0,1.4142135623730951,0.7071067811865476,0.06931471805599454,2,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.95,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.95,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.95,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.95,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.95,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.95,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,4.0,0.95,7.0,0.45,1.0,0.432,1.0,1.0,2.0,1.0,1.0,2.0,0.83333,0.41667,0.0,0.08334,0.56111,1.08334,0.4,0.56111,0.82222,0.16111,0.0,-0.16111,0.26111,0.38461,0.32968,0.0,1.0,0.0,0.0,0.75,0.375,0.75,0.375,0.0,0.0,-0.75,-0.375,0.0,0.0,0.54433,0.27216,1.0,0.45567,0.22784,0.54433,0.27216,1.0,0.45567,0.22784,0.0,0.0,0.0,0.0,0.0,1.01,1,1,1,1,1,1,1.0,1.2516291673878228,1.7924812503605778,1.792481250360578,0.9308270834535259,-0.0,-0.0,7.5097750043269365,10.754887502163466,10.754887502163468,5.584962500721156,-0.0,-0.0,0.4841962570206112,0.6934264036172707,0.6934264036172708,0.36009307028393744,-0.0,-0.0,1.3333333333333333,0.7924812503605783,0.792481250360578,1.6541354172676301,2.584962500721156,2.584962500721156,0.5390473417948543,0.7719796553163857,0.7719796553163857,0.4008854044632596,-0.0,-0.0,12.453993984603809,12.999078252433092,12.99907825243309,0.9381108351680165,-0.0,-0.0,7.5914791702724465,7.962406251802889,7.96240625180289,1.930827083453526,-0.0,-0.0,2.0,0.0,0.0,1,0,0,1.46,0.3082000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.385,0.375,0.449,0.20500000000000002,1.1230000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.6931471805599453,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3862943611198906,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.9999999999999998,1.9999999999999998,0.9999999999999999,1.4076059644443804,0.0,0.0,0.0,1.4142135623730951,0.7071067811865476,0.06931471805599454,20.23,34.64267002722779,2.0,1.0986122886681098,1.0986122886681098,1.0986122886681098,1.0986122886681098,1.0986122886681098,1.0986122886681098,1.0986122886681098,1.0986122886681098,1.0986122886681098,12.887510598012986,1.0986122886681098,0.0,1.0986122886681098,0.0,1.0986122886681098,0.0,1.0986122886681098,0.0,1.0986122886681098,2.5649493574615367,32.026214748,5.337702458,3.0,1.5,2.0,2.0,0.0,1.0,0.0,-0.499,2.0,1.1366,1.935542304244811,2.4583642656474427,0.0,0.0,0.0,0.0,0.0,0.0,0.0,65.00622117480002,18.26778853153791,2.497855429210803,0.0,0.0,0.0,0.0,0.0,0.0,0.0,176.95783280413062,127.80015571948954,76.41516655151666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.3510237744,15.528599214995735,16.51643181763878,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2199261147804,1.1231930525258749,1.093020477326488,0.0,0.0,0.0,0.0,0.0,0.0,0.0,180.1414243797953,349.4267526823201,454.5949478238422,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.830799999999999,6.596882011065499,2.4583642656474427,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.33344831999999996,0.3257961364348467,0.2517365008022981,0.0,0.0,0.0,0.0,0.0,0.0,0.0,261.54491879420857,104.34253308158506,17.371568700084314,82.61718636133008,-32.9598699174019,-32.9598699174019,178.92773243287849,137.30240299898696,50.331438617486214,0.7599468822286738,0.3031784485233466,0.05047496060681494,0.24005311777132624,-0.09576844580987848,-0.09576844580987848,90.01384984494923,35.91074584261975,5.978635653675082,28.43370478014282,-11.343538216425749,-11.343538216425749,0.5247071041795712,1.0,17.434609020415184,82.61718636133008,228.31760229412833,115.84450286141032,0.6634013416176188,0.33659865838238123,97.67989890130465,9.883314165870912,4.6054110693667445,144.77193921062332,12.03212114344862,5.250832088347134,97.67989890130465,9.883314165870912,4.6054110693667445,1.2488022095021118,1.2488022095021118,20.567355017235002,19.837409797100623,4.1007937192115005,1.0367963976950794,5.015457110383423,4.837456150053545,1.5262381847819353,1.9204796020443335,2.6584208767419697,0.3842484314397842,1.5510390698999537,0.38280107063964003,3.8033930048869107,0.1625824218406185,1.7133369487424624E-5,3.482474112333644E-31,1.3652397277158657E-78,1.0322997999544056E-147,1.5054927682255512E-238,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.15007301223158329,0.5098209545064452,0.31897306502591083,0.001145081684501281,1.206717222147745E-7,2.452734991865491E-33,9.615495031518568E-81,7.270571897366452E-150,1.0603308663658142E-240,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3650048968207104,0.2735867268152723,0.6726496862303608,0.011932630362794999,1.257492383864816E-6,2.555938968385718E-32,1.0020087181406086E-79,7.576496481095625E-149,1.1049465146926885E-239,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6870124247115865,0.509352231170018,4.29283372858959,0.14485801217319824,1.5265523751950237E-5,3.102821737218719E-31,1.216404018243426E-78,9.197605367060923E-148,1.3413669522859855E-238,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4710492409118048,0.18381676339077266,0.8113580851181017,0.02591926680446093,2.7314414922209777E-6,5.551840980838697E-32,2.1764968308473192E-79,1.6457162778614145E-148,2.4000914801890514E-239,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0537344988548245,0.46296931058455637,5.418696997926278,0.23711118251072366,2.498740917639587E-5,5.0788612044440735E-31,1.9910738354966387E-78,1.5055122410746303E-147,2.1956197138786682E-238,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4898570883304316,1.1482348461724732,4.08306531994204,0.04064561016061788,4.283342371856156E-6,8.70618528083411E-32,3.413099319289664E-79,2.580749499886014E-148,3.763731920563878E-239,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8448511436170404,0.29965264926208546,0.278723025,0.5936166554787287,0.2105445495389301,0.5523033194832264,0.32671796188773117,0.33333333333333326,1.4232268178791259,0.5721614426921922,2.0659503065319873,0.39042498321809305,1.212354614704291,0.7096265363080765,0.09100162375452703,0.052609601622869984,0.8316867445086942,0.10665447292764416,0.5850096123365226,0.033838790681004205,0.011875805552494042,0.8532377616854735,0.10669789561228074,0.9633330363308898,0.7475301167630413,0.6307242085700208,0.672880326533081,0.2100579731995346,0.16189636786330863,0.6440065087822187,0.20104422231974764,0.3871939014953045,0.19454660555061135,0.11246237808639965,1.0448346675959241,0.2842883813714958,1.3520061093701519,0.46600976317332793,0.6942028851323155,0.83915678640254,0.29632276370567784,0.2585102865458016,0.6019819975278731,0.21257168159628664,0.557139413351741,0.3418911494477146,0.28674028320027983,1.3939898366540193,0.5421944019945492,2.0004657317403813,0.40297299629180955,1.1857708459997354,0.7068741051753017,0.2413324937124508,0.2169811347144929,0.6066611283230381,0.20711897898749537,0.3903138075694368,0.21902454523262052,0.20201192345313249,1.1651877336022454,0.37633463431314734,1.578537546502214,0.4099916924845571,0.8113502762551897,0.8656816885060312,0.3084961991232463,0.2868750632094906,0.5925053489738731,0.21114648784367696,0.5799028516250118,0.34635630753927965,0.3531170184540679,1.461052950838768,0.6039018662875397,2.141567531097384,0.38875802346080957,1.2793761776183594,0.8378590589778114,0.2963422803509829,0.26130283593750003,0.6003988191708051,0.2123549937028558,0.55278933374474,0.33785504398640664,0.29296875,1.3955041752662944,0.5446630906409381,2.0050469477132946,0.40059822875620765,1.1836131277311468 +UMLCN0031,L,tetrahydrofurfuryl alcohol,C1CC(OC1)CO,Cyclic Ethers,Alcohols,C5H10O2,Marquardt (2015),IQT,PubChem,,17.9,0,-1.2176000000000007,1.4825497600000017,22.8292,17.07193,0,0,17,7,10,0,5,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1243.417246999999,1278.6392349999996,1612.0179759999987,1045.3803919999982,554.8815780000002,98.882784,4.064256,0.0,0.0,2861.2035069846665,3716.899291184918,5160.437991709439,4096.471164507911,2288.2181209648056,868.3651995522066,124.33497772372105,0.0,0.0,131.59065199999998,133.793572,251.29177600000008,305.58778400000006,199.87999200000013,119.30457599999997,26.873856,0.0,0.0,19.67703704848999,25.730286776000007,37.66841619939601,34.231465219886005,20.08485051103699,8.812289612490003,1.7784516193959998,0.0,0.0,2854.0508722974905,2530.494615717251,5082.980945291247,6774.358607303537,4644.271892649787,2896.1587224528903,739.6706080969959,0.0,0.0,69.02777777777777,46.75,80.58333333333334,97.16666666666666,60.0,37.0,4.0,0.0,0.0,73.14219099999994,75.2140726470588,50.37556174999996,26.134509799999954,20.551169555555564,6.180174,1.016064,0.0,0.0,168.30608864615687,218.64113477558342,161.26368724091998,102.41177911269779,84.7488192949928,54.27282497201291,31.083744430930263,0.0,0.0,7.740626588235293,7.870210117647059,7.852868000000003,7.639694600000001,7.402962666666672,7.456535999999998,6.718464,0.0,0.0,1.1574727675582346,1.5135462809411768,1.1771380062311254,0.8557866304971501,0.7438833522606293,0.5507681007806252,0.44461290484899996,0.0,0.0,167.88534542926413,148.85262445395594,158.84315454035146,169.3589651825884,172.01007009814026,181.00992015330564,184.91765202424898,0.0,0.0,4.060457516339869,2.75,2.518229166666667,2.4291666666666663,2.2222222222222223,2.3125,1.0,0.0,0.0,0.3747218362722603,-0.13933409014474635,-0.11526889584534451,0.12484251741750971,-0.06300780419000772,-0.030390583255800324,0.0357979378822591,0.0,0.0,629.8202064705881,4.001371529412076,-215.9323062975775,-218.04722616609,24.938885899653826,-9.86376950173036,99.99294130103794,0.0,0.0,780.5766247334496,-23.64634941373815,-261.88126822448055,-272.7147953913443,-69.1479611737486,116.64207060097006,120.45999123561673,0.0,0.0,1.8816070588235294,-0.1693152941176464,-0.6585295224913482,0.16580268512110752,-0.08277050519031212,-0.3119111141868514,0.11592022145328656,0.0,0.0,3.4247689940841184,-0.33094394282352946,-1.1387697225293985,-0.6249434241295726,-0.7596345248254223,0.75510375353436,0.38680336373150176,0.0,0.0,19.349598455084106,-2.28083589557347,-6.430907264026402,-2.2377309825384097,-4.969015087540156,4.364693800710784,1.8789962014256032,0.0,0.0,26.67320261437907,-2.9705882352941178,-7.530276816608996,4.782006920415225,-2.1623414071510947,-6.793733179546329,1.3383314109957707,0.0,0.0,0.022042460957191784,-0.008196122949690961,-0.003602152995167016,0.003121062935437743,-0.0023336223774076932,-0.0018994114534875203,0.008949484470564775,0.0,0.0,37.04824743944636,0.23537479584776916,-6.747884571799297,-5.4511806541522505,0.9236624407279195,-0.6164855938581475,24.998235325259486,0.0,0.0,45.9162720431441,-1.3909617302198911,-8.183789632015017,-6.817869884783607,-2.561035599027726,7.290129412560629,30.11499780890418,0.0,0.0,0.11068276816608996,-0.009959723183390964,-0.020579047577854632,0.004145067128027688,-0.003065574266307856,-0.019494444636678213,0.02898005536332164,0.0,0.0,0.20145699965200697,-0.019467290754325264,-0.0355865538290437,-0.015623585603239315,-0.028134612030571195,0.0471939845958975,0.09670084093287544,0.0,0.0,1.1382116738284769,-0.1341668173866747,-0.20096585200082506,-0.055943274563460245,-0.1840375958348206,0.272793362544424,0.4697490503564008,0.0,0.0,1.5690119184928863,-0.17474048442906576,-0.23532115051903113,0.11955017301038062,-0.08008671878337388,-0.4246083237216456,0.33458285274894267,0.0,0.0,-0.37183338854987585,-0.1634188216171817,0.1415932159979367,-0.10586941185649705,-0.08617057129765722,0.4060111295170438,0.0,0.0,0.006353196496878249,-0.1821377538256945,-0.14713734200415154,0.02493133966019858,-0.016640074402055446,0.6747481204372202,0.0,0.0,-0.030293437779811656,-0.17823288494164596,-0.1484848307889056,-0.05577620928417951,0.15877006316433176,0.6558676579973078,0.0,0.0,-0.08998440632100435,-0.18592819748575337,0.03744997705340747,-0.02769694250606085,-0.1761289942389673,0.2618298750880022,0.0,0.0,-0.09663248627723382,-0.17664590404163294,-0.07755295487487257,-0.13965566884829217,0.23426331513632934,0.48000735194068533,0.0,0.0,-0.11787510220782801,-0.1765628104347748,-0.049150150055384714,-0.16169013204353605,0.2396683928103277,0.41270798846787243,0.0,0.0,-0.11136976231315862,-0.14998047353589816,0.07619456015682435,-0.05104277274088596,-0.27062147757902494,0.21324430286694449,0.0,0.0,1.2476548472528408,1.151434506373127,0.7988741562260216,0.893675354738036,1.2160296750321213,0.6008219413199506,0.0,0.0,1.017684714766932,1.1921089086795795,1.0812624971437814,0.8447290752610009,0.905855615838586,0.0,0.0,0.0,1.3341208264062852,1.2593069264343388,1.02372799045199,0.8902766478937293,0.5022209496240003,0.0,0.0,0.0,0.9540480415364585,1.234691371455939,0.964612877852849,0.8260714789716903,1.2114133975587822,0.0,0.0,0.0,1.5577001153616299,1.328663697348702,0.9330705125091754,0.9187543153816771,0.30454204425134507,0.0,0.0,0.0,1.6022111799961372,1.3468180359266124,0.9050871689522855,0.9236878464032646,0.2825733862146561,0.0,0.0,0.0,0.9899534427836321,0.9914236706689544,0.6902474883606964,1.099730458221025,1.8839132565547672,0.0,0.0,0.0,22.291706645462696,11.395853322731346,17.117639273310697,22.64884950260555,3.23554992894365,11.395891842710103,0.4999999999999982,0.10151648124950263,0.014502354464214662,-1.6012738817877181,37.01600101504679,5.288000145006684,2.527945195318576,22.30040641714721,11.399468787672301,17.12334298789695,22.65650010157392,3.236642871653417,11.399507152535092,0.498531158197391,0.10161734839307834,0.01451676405615405,-1.6005787045596775,37.0121575638198,5.287451080545686,2.5278725090350602,30.218906787867418,14.71045891587568,22.596022032478835,29.64891467635595,4.2355592394794215,14.710460081386149,-0.7979889561160558,0.13344350162418117,0.019063357374883023,-1.4098539696693106,34.21005641040693,4.887150915772418,2.472763753553177,22.30953769924644,11.40326364984216,17.12933075767111,22.66453027098779,3.237790038712541,11.4033018525893,0.49698960043788,0.1017229437101238,0.014531849101446257,-1.5998516796517086,37.008124412042335,5.286874916006048,2.5277962270709375,39.23869129537532,18.371366255395937,28.870476658203977,38.31101049737033,5.473001499624333,18.371366287801603,-2.164588528678305,0.12542415182728306,0.01791773597532615,-1.4532378497170075,33.085665602166294,4.7265236574523275,2.44937008764373,23.206274712363268,11.776271542059934,17.72276080415527,23.453609263617984,3.3505156090882835,11.776296818770989,0.3462683717565991,0.11082013204763574,0.015831447435376535,-1.5398927767951416,36.61570825550252,5.230815465071788,2.5203341349491226,18.858780276272057,9.831227534536222,14.906643577232526,19.28377026181621,2.754824323116601,9.831476124271926,1.3253968253968207,0.018609728973366213,0.0026585327104808876,-2.7888495403500118,37.26059617357195,5.322942310510278,2.5325554557867815,0,11.996400532441287,15.998258482713187,-0.41790829329057394,0.09482804886127842,4.015216268464199,6.896757306452193,7.0,17.0,17.0,17.0,7.0,0.0,0.0,0.0,0.0,0.0,12.848069999999998,3.6094882036891622,2.9364640860485705,2.3461460448994833,2.1444953662460557,1.3604422300148242,1.0835464885279993,0.5851894638023547,0.0839230705186915,1.7514800435243796,1.5567671816493673,1.0950085389502544,0.6307216562185148,0.4936252950591733,0.37057279783259284,0.08392307051869104,0.0839230705186912,3.5567477081782117,2.8843109366581787,2.319261509344016,1.969184039128525,1.3075297082188793,1.1268993926390152,0.45470346308005344,0.27091390189293746,1.7079811307104835,1.565241817360589,1.0800138402982018,0.5067842591476197,0.42813722545789556,0.27539686408076103,0.270913901892937,0.2709139018929372,3.721515967228206,3.120351622898699,2.6068827151417415,2.3683644130277584,1.8389419030794838,1.6556286996233602,1.0958665726086216,0.9439184268026227,1.5117329872023575,1.300417116128918,0.6931792094751009,0.012425473477505439,0.1162372580723814,0.31880175987675147,0.9439184268026216,0.943918426802622,3.553622873738742,2.891165618228849,2.3390081326962453,1.9450296235860862,1.3489331582556534,1.1694912514369453,0.431945371147109,0.3992772455089822,1.6887813562394776,1.557861515532867,1.0773814539452808,0.4408953943717469,0.35938509633958327,0.19874869769061038,0.39927724550898136,0.39927724550898186,3.753514023922624,3.1777026805319597,2.7033185279335146,2.4314969806039284,1.9952961683491328,1.8424260126312921,1.208341272369583,1.2076448229620882,1.4621083868736966,1.2575709535535062,0.6212130938524605,0.14141052074235183,0.26388628769458683,0.488141043663635,1.2076448229620877,1.207644822962088,4.697454395152244,3.824625276606742,2.7655785728082147,2.7035065484474265,2.0249183833183815,1.5502972767143235,1.198282787090586,0.6818181818181819,1.5534811946780447,1.2567233647472222,0.6647533288033767,0.16592657773380953,0.02444442343053908,0.4199586205758272,0.6818181818181814,0.6818181818181817,0,0,0,0,0,2,3,0,0,0.0,0.0,0.14433756729740646,0.10206207261596577,0.10206207261596577,0.0,0.0,0.08333333333333333,0.05892556509887897,0.026352313834736494,0.20412414523193154,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.49279927982674443,0.5948613524427102,0.20412414523193154,0.21937129433613967,0.2513122945466299,0.05270462766947299,5.112884175122363,3.431851652578137,2.5587307446244747,2.052095140581215,1.4186112615457085,0.49279927982674443,0.20412414523193154,0.0,0.7304120250174805,0.4902645217968767,0.31984134307805934,0.22801057117569057,0.15762347350507872,0.12319981995668611,0.10206207261596577,0.0,4.261239279899637,2.657101741934893,1.8176019908498864,1.2276254226758747,0.7883292878844071,0.2196686522595447,0.05270462766947299,0.0,0.608748468557091,0.37958596313355614,0.2272002488562358,0.13640282474176385,0.08759214309826746,0.05491716306488618,0.026352313834736494,0.0,9.13873722776308,17.10050983248361,16.325490196078437,16.60000000000001,9.953251497005985,131.45031736526948,0.5375727781037106,1.0059123430872712,0.9603229527104963,0.9764705882352946,0.5854853821768227,7.732371609721734,0.15770000000000006,26.059799999999992,22.877269839590337,33.16178178825405,45.75453967918067,6.536362811311525,22.87726983980489,0.10650955175902393,0.015215650251289134,-1.567664426983351,23.73191567932052,3.39027366847436,2.2167745567470005,44,1.0,0.0,2.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696388888888889,0.0,13.493101851851852,0.0,0.0,3.5182146990740746,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696388888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3369444444444447,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.187453703703704,0.0,0.0,0.0,0.15277777777777746,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.441018518518518,0.0,5.052083333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696388888888889,0.0,5.052083333333334,0.0,0.0,3.5182146990740746,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696388888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.35111111111111115,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.19444444444444442,0.0,0.0,0.0,0.15277777777777746,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.441018518518518,0.0,5.052083333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696388888888889,0.0,8.441018518518518,0.0,0.0,3.5182146990740746,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696388888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5611111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1162962962962963,0.0,0.0,0.0,0.15277777777777746,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.441018518518518,0.0,5.052083333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.833333333333332,2.4047619047619047,0.696388888888889,8.441018518518518,0.16666666666666674,0.15277777777777746,1.6012832407407407,1.3055555555555556,2.4410185185185185,7.986203703703704,1.3055555555555556,2.4410185185185185,7.986203703703704,3.16666,0.45238,0.0,0.04762,0.5549,0.91905,0.43333,0.5549,0.84167,0.12157,0.0,-0.12157,0.07738,0.49223,0.22206,0.0,0.10526,0.1579,0.0,4.25,0.60714,4.25,0.60714,0.0,0.0,-4.25,-0.60714,0.0,0.0,4.86833,0.69548,6.53706,1.66872,0.23839,2.63498,0.37643,3.43185,0.79686,0.11384,-0.01785,-0.00255,0.06815,0.00974,0.29411764705882354,7.02,2,2,2,2,1,1,1.0,1.3328204045850196,2.1739731346044096,3.1462863706621045,3.6168746059562227,3.6168746059562227,3.6168746059562227,22.657946877945335,36.95754328827496,53.486868301255775,61.48686830125578,61.48686830125578,61.48686830125578,0.32607523452795834,0.5318637059314278,0.7697406662416696,0.884870333120835,0.884870333120835,0.884870333120835,2.7546424366653204,1.9134897066459304,0.9411764705882355,0.4705882352941173,0.4705882352941173,0.4705882352941173,0.32607523452795834,0.5318637059314278,0.7697406662416696,0.884870333120835,0.884870333120835,0.884870333120835,12.494984980042707,20.026289093243378,23.592604821604898,24.066875424899017,24.066875424899013,24.066875424899017,25.893088088867948,18.619436867836722,15.470413370589833,14.446918931765985,14.446918931765985,14.446918931765985,5.142857142857143,2.34375,1.1851851851851851,1,0,0,1.7899999999999998,0.8219000000000001,0.0,0.0,0.0,0.0,3.3019272488946267,2.8284271247461903,0.0,0.0,0.0,0.0,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.259,0.72,0.7250000000000001,0.6779999999999999,0.44,3.534,8.0,9.0,9.0,4.0,2.0,0.0,0.0,0.0,0.0,46.0,2.0794415416798357,2.1972245773362196,2.302585092994046,2.302585092994046,1.6094379124341003,1.0986122886681098,0.0,0.0,0.0,0.0,3.8501476017100584,1.0,0.5,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.14285714285714285,2.0,0.2857142857142857,0,2.0,4.0,1.0,1.0,0.44444444444444464,0.2222222222222222,0.125,0.0,0.0,0.0,0.0,0.0,0.0,0.14285714285714285,0.05555555555555558,0.05555555555555555,0.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.31646825396825395,12.646764559569089,19.138216648510415,25.293529119138178,3.613361302734025,12.646774418859144,0.12433423528054999,0.01776203361150714,-1.4593473256359097,35.74373328141488,5.106247611630698,2.5034624726628145,29.46,100.2603765304556,3.807354922057604,3.4339872044851463,4.174387269895637,4.9344739331306915,5.6937321388027,6.459904454377535,7.223295679562314,7.990576881743923,8.755107121633896,9.522446728338489,72.18791141197033,2.70805020110221,0.0,3.8501476017100584,2.3978952727983707,5.176149732573829,4.442651256490317,6.577861357721047,6.259581464064923,8.017966703493599,8.436416881388949,102.06807956,6.00400468,13.585236367059636,1.9407480524370908,5.383752168933944,5.383752168933944,0.0,43.0,4.0,-0.14600000000000007,30.0,1.305269544629181,2.217416610588147,2.9482343589931634,3.7295040174272693,4.533390987459611,4.284623943574362,0.0,0.0,0.0,0.0,119.06999022720213,127.78083250477125,86.12871527822246,83.80246217669276,27.630711664626567,4.35345214260394,0.0,0.0,0.0,0.0,312.2494101232642,383.5038131237876,328.11475943629887,335.55229304341003,239.86110766145637,133.18215564471004,0.0,0.0,0.0,0.0,10.519447163803655,17.705823841032316,22.83277777770451,27.587175701843908,33.90385455180946,28.786091718442382,0.0,0.0,0.0,0.0,2.0519044133005826,2.7016202656779598,2.6625277816983313,2.910497811434528,2.4310190654209154,1.904999097738175,0.0,0.0,0.0,0.0,192.97291780013842,350.8509045818018,495.4920702407579,635.0740397230942,823.953308561526,792.3025994526492,0.0,0.0,0.0,0.0,3.8738739611772606,5.907202107736762,7.505081854590385,8.422346024131334,10.689661257129506,4.284623943574362,0.0,0.0,0.0,0.0,0.49725816486535757,0.6697025959652851,0.6612817815867985,0.7280869490729635,0.6490492603078617,0.4387454918220147,0.0,0.0,0.0,0.0,240.4866923375023,196.5998186800171,16.020543962854024,71.6353156354709,-58.562450704151274,-26.547747268077668,168.8513767020314,255.16226938416838,42.56829123093169,0.7704893797758924,0.6298813081358902,0.051327825509315736,0.22951062022410748,-0.1876267908324562,-0.08505567242914971,75.06118930315985,61.36313017352939,5.000364350505292,22.3589585579209,-18.278629705597957,-8.286136184471415,0.25669021312267,0.48082889984724586,6.621146490178032,17.924740659086705,217.52276268715903,94.59924528581413,0.6969158121845558,0.30308418781544405,477.091650937288,21.84242777113588,7.813889622463044,582.3059077373325,24.131015472568336,8.35058816054842,771.1180221361697,27.769011904210235,9.170090415862552,1.3250479971493236,1.2715666350276185,331.5819577389374,279.51556353535557,112.81790865938305,1.1862736856046157,2.939089739201257,2.4775815015261613,3.6691946237678272,3.2388670257252024,5.942891620116283,0.8348674313931221,3.224475202520068,2.1957613972876553,11.396281905598784,3.901230683628281,12.738098344391256,5.723136307478796,4.0805948985229925,2.5350556513986553,3.509048652756598,0.03452766108720157,0.722505611312608,3.317516989051499E-14,2.941315336509448E-49,5.0297444968142475E-106,1.6589227602762576E-184,1.0553154881832913E-284,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.29054296912126504,2.2708166677172033,2.1330662859683986,2.4543215152043305,3.7113590109890393,1.0757711862475465,1.068908288788718,0.8155095368925184,0.2591667336417216,0.003376593591883846,0.005088666096352078,2.336554341161253E-16,2.0715924412523444E-51,3.542490174955609E-108,1.1683928642918328E-186,7.432673271446806E-287,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8183859318561284,2.03805506985725,3.2066055262845774,2.0463328032164387,3.596633321061089,1.7947203200274635,0.9256705643482368,0.7877215661190313,0.6850373134717633,0.0061316844422940825,0.053027824106171434,2.434869772776649E-15,2.1587590444017036E-50,3.6915478897318756E-107,1.2175554481554335E-185,7.74541861096899E-286,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.2666014665180416,2.316607387356651,11.625527715385065,4.143444152298871,13.250201590129182,5.503540163414253,4.151982271771599,2.5601690011323646,3.63204054673428,0.04168371481276719,0.6437394920190807,2.9558479101869015E-14,2.62065901073436E-49,4.481411793442868E-106,1.4780703129197878E-184,9.402671005541092E-285,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.139233921399222,1.9527873255040797,4.058389735449507,1.9653711115779569,4.143904557993746,2.3193977021559316,1.0287094515416084,0.8947367290267186,0.9449734772480483,0.006471843020084154,0.1151835198879132,5.288862509907473E-15,4.689113112131592E-50,8.018535305593081E-107,2.6446931312221597E-185,1.6824084217193648E-285,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.074644167727671,2.299919053104085,14.422176695535438,4.8819202159580275,16.966114940392234,7.207252495390036,5.638520352646021,3.2296124489992617,4.756704325775371,0.050417870139290284,1.0537065318856822,4.838286743066967E-14,4.2896319888574064E-49,7.33540964530465E-106,2.4193829376926455E-184,1.5390784593058798E-284,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7212268715272767,3.330339051834749,12.539174157329706,4.837058896300779,18.621998035202118,4.262170066638611,5.67884362250199,3.4391049218717087,4.698551614366057,0.08558199477770416,0.335875542449043,1.542234137472288E-14,1.367347005608731E-49,2.338207668973566E-106,7.711934319466074E-185,4.9059087777115824E-285,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.08122681249393,0.9736978684389586,0.6514040477109897,0.6546985963264366,0.20689117241487892,0.5597642980457274,0.47122046188791056,0.3931082673690163,4.706328728643879,5.641578329825184,12.30223904659453,0.4820478944896549,1.4240930273026542,2.499251684426569,0.9366371225381479,0.2978467151635238,0.6693703047831272,0.2508579188287718,0.3895396797020777,0.4742699863636701,0.06607927798986214,3.7337355221282404,3.3642601010214803,7.795222587964247,0.5040554571746908,0.92988894405561,2.681138386234336,0.8073386805036566,0.43002949342984353,0.6842245495997072,0.20603223909597768,0.42470786959568074,0.3353331123335547,0.16485489943574508,3.918506560167836,3.664734752841097,8.514077446701464,0.526336824399561,0.9248958813649805,3.0443444747387938,1.0166301335402732,0.6361451279549902,0.6481300553729581,0.21643692105565998,0.5495505344320826,0.527870332391397,0.3668843285700411,4.6971197362340575,5.678341541701947,12.344312846755036,0.4721950830594372,1.4443051953935209,2.809068865915664,0.7746432149705575,0.49445991665009487,0.6888058835215052,0.18994863763434475,0.46292779024246733,0.29493630289993356,0.22746242862728616,4.078171997536316,3.9480281141795475,9.102157814226583,0.5332088252822578,0.985326521769687,3.1278776334213143,1.012553194977568,0.6784659258694411,0.6490858370540532,0.21012137146966306,0.5776054995422758,0.5120544152743722,0.4256343353458681,4.818896754268323,5.97628372670765,12.943978743641743,0.47362875558107975,1.515294250162516,3.0855087924059204,0.9995486273327496,0.6393211532157067,0.6531036293470459,0.21157250882790388,0.5654210782840234,0.5100645796325847,0.3714652262740122,4.724378572954376,5.695779698612173,12.391898919250941,0.47965544402056876,1.4469508841906202 +UMLCN0032,L,isobutanol,CC(C)CO,Alcohols,,C4H10O,NREL (2014),IQT,PubChem,,8.5,0,0.12419999999999998,0.015425639999999994,21.544600000000003,14.509930000000002,0,0,15,5,10,0,4,0,1,0,0,0.0,0.0,0.0,0.0,0.0,843.1851250000002,750.0471359999999,809.6078399999998,616.436106,143.329536,6.0963840000000005,0.0,0.0,0.0,2221.295828270979,2687.923385283945,3331.7330760374816,2948.8325573852317,1405.3973939743028,186.50246658558157,0.0,0.0,0.0,110.69841999999997,106.18528800000001,184.0386000000001,217.72332000000014,218.86848000000012,40.310784,0.0,0.0,0.0,16.244933048490005,20.262706776,27.25039802594299,26.589830304489993,15.217180442678009,2.6676774290939997,0.0,0.0,0.0,2541.80523040499,2097.0136027972508,4035.9890868018438,4944.130764887941,5485.539100136179,1109.505912145494,0.0,0.0,0.0,58.02777777777778,38.666666666666664,54.66666666666666,70.33333333333333,62.0,6.0,0.0,0.0,0.0,56.21234166666668,53.57479542857142,32.38431359999999,20.5478702,4.777651199999999,1.016064,0.0,0.0,0.0,148.0863885513986,191.9945275202818,133.26932304149926,98.29441857950772,46.84657979914343,31.083744430930263,0.0,0.0,0.0,7.379894666666664,7.58466342857143,7.361544000000004,7.257444000000005,7.295616000000004,6.718464,0.0,0.0,0.0,1.0829955365660002,1.4473361982857145,1.0900159210377196,0.8863276768163331,0.507239348089267,0.44461290484899996,0.0,0.0,0.0,169.45368202699936,149.78668591408933,161.43956347207376,164.80435882959804,182.85130333787262,184.917652024249,0.0,0.0,0.0,3.8685185185185187,2.761904761904762,2.186666666666666,2.344444444444444,2.066666666666667,1.0,0.0,0.0,0.0,0.221003720305656,-0.10339001644643567,-0.029376669208226777,0.04632205224466793,-0.053439555958099606,0.029382329215266123,0.0,0.0,0.0,476.9038497333333,-65.66428988444409,-84.27436055555538,-205.16299213333326,23.813610799999537,92.83610690666649,0.0,0.0,0.0,665.157589150708,-80.97945498155484,-96.82109803052074,-528.8738972539105,246.57592579041776,127.51972990021453,0.0,0.0,0.0,1.034995733333333,-0.10335015111110998,-0.1361792888888885,0.018791466666666243,-0.3718447999999995,0.07508490666666563,0.0,0.0,0.0,2.8968984481633338,-0.28801826802177827,-0.3164836512272226,-2.817756022231331,1.5149768677660012,0.45883184963266693,0.0,0.0,0.0,16.061086142163315,-1.47748183840508,-1.5712144650938669,-16.08214681821463,8.777520432199276,2.3227796184326532,0.0,0.0,0.0,23.270370370370365,-3.9893827160493824,-3.0932098765432103,2.3407407407407415,-8.529629629629637,1.6362962962962961,0.0,0.0,0.0,0.014733581353710399,-0.007385001174745405,-0.0011750667683290712,0.0015440684081555976,-0.0017813185319366536,0.0048970548692110205,0.0,0.0,0.0,31.79358998222222,-4.690306420317435,-3.370974422222215,-6.838766404444442,0.7937870266666512,15.472684484444414,0.0,0.0,0.0,44.343839276713865,-5.784246784396774,-3.87284392122083,-17.629129908463685,8.219197526347259,21.25328831670242,0.0,0.0,0.0,0.06899971555555554,-0.00738215365079357,-0.00544717155555554,6.263822222222081E-4,-0.012394826666666648,0.01251415111111094,0.0,0.0,0.0,0.19312656321088892,-0.02057273343012702,-0.012659346049088905,-0.09392520074104437,0.05049922892553337,0.07647197493877782,0.0,0.0,0.0,1.070739076144221,-0.10553441702893429,-0.06284857860375467,-0.5360715606071543,0.29258401440664256,0.3871299364054422,0.0,0.0,0.0,1.5513580246913576,-0.2849559082892416,-0.12372839506172842,0.07802469135802471,-0.28432098765432123,0.27271604938271604,0.0,0.0,0.0,-0.5012359858375927,-0.07975432042754159,0.10479925899121266,-0.12090193749723038,0.332373694599228,0.0,0.0,0.0,-0.14752364935636642,-0.10602685711513349,-0.2150989054167341,0.0249668888323246,0.4866605027332918,0.0,0.0,0.0,-0.1304408206132534,-0.08733668496887602,-0.397555335668042,0.18535150903506406,0.4792839019661315,0.0,0.0,0.0,-0.1069881751157334,-0.07894484073879575,0.009078040643774432,-0.17963590961019077,0.18136525651377644,0.0,0.0,0.0,-0.10652461830256958,-0.0655494813277718,-0.4863401449260018,0.2614825640033246,0.3959681861851004,0.0,0.0,0.0,-0.09856221686516609,-0.058696446224859186,-0.5006556429579201,0.27325426046862006,0.361553944402136,0.0,0.0,0.0,-0.18368158977740393,-0.07975489415884135,0.05029444532866468,-0.18327232213910571,0.17579181919465228,0.0,0.0,0.0,1.389539695392355,0.8098939251368348,0.6440791057074392,1.3124865318661127,1.1003545014799365,0.0,0.0,0.0,1.3946504172107372,1.1261888454461357,1.1324870944852514,0.7781853396112921,0.0,0.0,0.0,0.0,1.6116802173128446,1.2219723821415158,1.3959887059603744,0.3335835408423672,0.0,0.0,0.0,0.0,1.046261317921053,0.9102726607053324,0.7168985430922229,1.5362856246235088,0.0,0.0,0.0,0.0,1.6965599023193287,1.2436686007313391,1.5009200904698,0.1709614545050642,0.0,0.0,0.0,0.0,1.7047907970940608,1.2406108502009583,1.5117099084380778,0.15887867775056294,0.0,0.0,0.0,0.0,1.1340124144516952,0.9104567881585233,0.6879675314340286,1.5241126850230786,0.0,0.0,0.0,0.0,13.926327120319181,7.088163560159591,10.602537059323122,14.076327120319183,2.8152654240638366,7.090016249240598,0.2500000000000018,0.005675938448673867,0.0011351876897347734,-2.5857596819404676,12.472971403007573,2.4945942806015147,1.2617820077146462,13.929233263115172,7.089249421106932,10.604539172190167,14.078792610574387,2.8157585221148773,7.091099704427863,0.24926557909869196,0.005841989046248219,0.001168397809249644,-2.571341975009325,12.471809184016529,2.494361836803306,1.2617354160443837,16.51231851055227,8.056662016247124,12.611358998502471,16.272921823717457,3.2545843647434918,8.057290889621001,-0.39899447805802346,0.13621783955255484,0.02724356791051097,-0.9967499566409266,13.461075320339061,2.6922150640678124,1.2999011055476535,13.93228333728617,7.090389068752554,10.606641117716466,14.081380217417532,2.8162760434835064,7.092236831066922,0.24849480021893733,0.006016249848113886,0.0012032499696227772,-2.5566455812964666,12.470595131374179,2.4941190262748356,1.2616867418015978,19.261434651782515,9.089570193721682,15.084293145505129,18.612058093179023,3.7224116186358045,9.089785786723416,-1.0822942643391489,0.22134906397704623,0.044269812795409244,-0.7540071742569355,26.015585154072035,5.203117030814407,1.6293478937192252,14.230788164381392,7.2019611751298465,10.815689613510626,14.334668675908372,2.866933735181674,7.203580376153985,0.17313418587830043,0.022978799663681437,0.004595759932736287,-1.8865916209410947,12.379841158459692,2.4759682316919385,1.2580347183390763,15.199019618210928,7.892912586883242,12.087149471735996,15.551102951544262,3.1102205903088525,7.8938253969660055,0.5868055555555571,0.04029432757806106,0.008058865515612213,-1.6057722874116105,11.279381230589964,2.255876246117993,1.2114881945605729,0,11.996461491259486,15.997941969829798,-0.4213451678523444,0.07185397555661632,3.9456731119435826,6.619752899981168,4.0,14.0,14.0,14.0,4.0,0.0,0.0,0.0,0.0,0.0,10.932069999999998,3.416114232258465,2.6174275875222714,2.333552793103045,1.5024689475958204,0.9605266896365302,0.08392307051869143,0.08392307051869131,0.08392307051869122,1.827242845514363,1.2496297225843556,1.1975410443811434,0.4546017093370297,0.34943060226477296,0.08392307051869101,0.08392307051869115,0.08392307051869122,3.4175795558639845,2.5202703164192846,2.4054545878412883,1.382376700546468,1.053421807783629,0.2709139018929375,0.2709139018929375,0.2709139018929372,1.777948972479871,1.1724340228956247,1.1345406859483518,0.41570470092700235,0.20910597232225628,0.2709139018929371,0.2709139018929372,0.2709139018929372,3.5696959030840243,2.8583953387796415,2.7042369872335206,1.9222595997415577,1.573511089495347,0.9439184268026227,0.9439184268026227,0.9439184268026222,1.5722629754070216,0.7839757780837843,0.7603185604308981,0.17270094114734397,0.3660123706820731,0.9439184268026215,0.9439184268026217,0.9439184268026222,3.4328967078834425,2.5217236744124754,2.4575399160416938,1.3867710886879083,1.1214335907190172,0.39927724550898247,0.3992772455089822,0.3992772455089819,1.7476945857736959,1.1559246655359225,1.058262670532711,0.37696246351908547,0.10489484388013669,0.3992772455089815,0.3992772455089818,0.3992772455089819,3.626109757760736,2.930147916388564,2.838982085149649,2.0486592950657863,1.7777981004905357,1.207644822962089,1.2076448229620884,1.2076448229620882,1.5164848963930555,0.7004551451023499,0.6313372621875608,0.3110778217119761,0.5631125151213754,1.207644822962087,1.2076448229620882,1.2076448229620882,4.21464697922474,3.3230476187094986,2.634654398051789,2.102082053338536,1.282295295443441,0.5853658536585371,0.5853658536585369,0.5853658536585368,1.671967161413489,0.8785568370761794,0.8412590836509429,0.016573927469473882,0.2906550550859906,0.585365853658536,0.5853658536585367,0.5853658536585368,0,0,0,0,0,3,0,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.18257418583505536,0.0,0.0,4.284457050376173,2.2700556100296625,1.8020951405812151,0.8164965809277261,0.0,0.0,0.0,0.0,0.8568914100752346,0.5675139025074156,0.4505237851453038,0.4082482904638631,0.0,0.0,0.0,0.0,3.731670645876131,1.8791765948599528,1.5764210359524073,0.3651483716701107,0.0,0.0,0.0,0.0,0.7463341291752262,0.4697941487149882,0.39410525898810184,0.18257418583505536,0.0,0.0,0.0,0.0,7.423938123346227,14.769847050254914,13.9764705882353,14.200000000000006,8.473011976047902,116.5531017964072,0.4949292082230818,0.9846564700169942,0.9317647058823533,0.9466666666666671,0.5648674650698601,7.770206786427147,0.6346999999999999,21.923799999999996,7.459294270913435,11.32198879388198,14.918588541826864,2.983717708365373,7.460499637077925,0.06081016321964117,0.012162032643928233,-1.3999991728808059,12.37595477156519,2.475190954313038,1.2578777293681938,19,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7138888888888888,0.0,8.143518518518519,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7138888888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.286111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.9444444444444446,0.0,0.3055555555555556,0.0,0.0,0.0,0.43981481481481466,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.143518518518519,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7138888888888888,0.0,8.143518518518519,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7138888888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9722222222222223,0.0,0.3055555555555556,0.0,0.0,0.0,0.43981481481481466,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.143518518518519,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7138888888888888,0.0,8.143518518518519,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7138888888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9722222222222223,0.0,0.3055555555555556,0.0,0.0,0.0,0.43981481481481466,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.143518518518519,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.833333333333332,2.5666666666666664,0.7138888888888888,8.143518518518519,0.2625,0.3055555555555556,2.038199074074074,1.1944444444444444,2.1435185185185186,4.287037037037037,1.1944444444444444,2.1435185185185186,4.287037037037037,2.33333,0.46667,0.0,0.03333,0.48444,0.85333,0.41765,0.48444,0.76111,0.0668,0.0,-0.0668,0.09222,0.54687,0.16742,0.0,0.57143,0.21429,0.0,2.25,0.45,2.25,0.45,0.0,0.0,-2.25,-0.45,0.0,0.0,3.71082,0.74216,4.43249,0.72167,0.14433,1.94148,0.3883,2.27005,0.32857,0.06571,0.14395,0.02879,0.14395,0.02879,0.0,4.01,1,1,1,1,1,1,1.0,1.1589385323502772,1.8716022614097982,2.6062389286533896,2.606238928653389,2.085320182572254,0.789230610995513,17.38407798525416,28.074033921146974,39.09358392980084,39.093583929800836,31.27980273858381,11.838459164932694,0.29663961761636337,0.4790516180600359,0.6670877683605712,0.667087768360571,0.533754435027238,0.20200990830985532,2.7479520632582415,2.0352883341987207,1.3006516669551291,1.3006516669551296,1.8215704130362647,3.117659984613006,0.30439466665848786,0.49157546373384353,0.6845274428066462,0.6845274428066461,0.5477083763562781,0.20729105301509168,10.661101907048607,15.776212239793256,16.516597462466404,16.516597462466404,10.265572509492772,0.7954063657819322,18.187524801026772,14.10028599532307,14.3289294130914,14.3289294130914,11.203416936604585,3.433086800770238,5.0,2.25,4.0,5,0,3,1.7899999999999998,0.7309000000000004,0.4999999999999999,0.9999999999999998,2.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.403,0.395,0.41000000000000003,0.19,2.392,4.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,1.6094379124341003,1.6094379124341003,1.0986122886681098,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.772588722239781,1.0,0.3333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.25,4.0,1.0,0,2.0,3.0,0.5,1.5,0.44444444444444464,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.375,0.11111111111111116,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.48611111111111116,7.459294270913435,11.32198879388198,14.918588541826864,2.983717708365373,7.460499637077925,0.06081016321964117,0.012162032643928233,-1.3999991728808059,12.37595477156519,2.475190954313038,1.2578777293681938,20.23,86.53062390482788,3.321928094887362,2.833213344056216,3.367295829986474,4.007333185232471,4.574710978503383,5.220355825078324,5.796057750765372,6.444131256700441,7.02197642307216,7.6708948313621175,55.93596942475696,2.1972245773362196,0.0,3.2188758248682006,0.0,4.394449154672439,0.0,5.60947179518496,0.0,6.834108738813838,7.183870715062453,74.07316494,4.938210996,8.696801932082174,1.7393603864164349,2.329115249114694,2.329115249114694,0.0,18.0,2.0,0.579,16.0,1.209285714285714,2.096561651201903,2.8513524313311596,3.3442863736733677,3.4683164849847903,0.0,0.0,0.0,0.0,0.0,76.07321488478568,76.8054354113475,64.02003241279793,16.715167086388295,3.5240315209995856,0.0,0.0,0.0,0.0,0.0,256.14635801683306,302.29762426190814,289.84385201255424,158.29716905348462,107.8082632248496,0.0,0.0,0.0,0.0,0.0,9.195663069428571,15.505058835279911,20.774606619031776,24.562949817811877,23.301759444976852,0.0,0.0,0.0,0.0,0.0,1.8770259697201428,2.418954684521538,2.5714431228291486,1.6895978647019718,1.5420582673247605,0.0,0.0,0.0,0.0,0.0,178.75592203578088,334.7092550354115,468.0768021613234,612.1121638793992,641.3529408803837,0.0,0.0,0.0,0.0,0.0,3.401261904761905,4.757655255515092,6.980042178989636,7.204908130632498,3.4683164849847903,0.0,0.0,0.0,0.0,0.0,0.4171445785714286,0.5459178793834321,0.6095312838390418,0.44546518653928585,0.3551556080624425,0.0,0.0,0.0,0.0,0.0,306.94188166136183,165.82767649900055,12.015500198029859,136.70477625601694,-73.85579084271534,-19.0518064452189,170.2371054053449,239.68346734171587,31.06730664324876,0.6918611381008628,0.3737832203615585,0.027083490844796422,0.3081388618991372,-0.1664743541389861,-0.042943649197436214,136.17373997393474,73.56889446898585,5.33063650606155,60.64861710732495,-32.76587477521561,-8.452270256710142,0.388215309824829,0.7319567265885071,5.298868696618594,26.285918948438013,394.08550580666133,49.561152110717416,0.8882868805022142,0.11171311949778576,283.92460633975446,16.850062502547416,6.572556741551606,389.138863139799,19.726602929541595,7.300762184381672,426.423845775092,20.650032585327608,7.526859814990858,1.2008796116392617,1.1305806166144157,179.7098287434673,135.82390850522165,65.28876921765224,1.3231089483524803,2.7525381608032955,2.080356394105507,3.1478971695520475,2.359935319269704,4.3385285730546075,0.8384099503189735,3.2244423905163107,3.22833768651404,3.497879681297861,9.887623472176864,1.8833848734457526,3.056374894439752,1.5635427945100955,0.15971970450331363,1.9891383991733315E-19,5.1739542111461375E-59,2.596058436493071E-120,2.512362848000615E-203,4.689496130843346E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.29051015711751127,3.3552464537660573,0.3003281297285914,3.453836287062962,0.06898982446149343,0.1159498187531642,0.016481759746020414,0.016570316597076057,2.2233362845461016E-20,5.783856754230073E-60,2.9020808037870034E-121,2.8085192125338828E-204,5.242292127932597E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8183531198523741,3.119019887344697,0.7241737802804895,4.105063623631609,0.17769202453956492,0.41970630985280805,0.12099010583845708,0.029454952514617234,3.8516243175640066E-20,1.0019309976384468E-59,5.0272415756326145E-121,4.865165894487719E-204,9.081163039915214E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.266568654514284,3.354876730986344,3.7803478789113547,9.642362681430072,1.7021708158596558,2.78025598224475,1.4114283619389534,0.1961374258338186,2.4983337385555406E-19,6.498678133119364E-59,3.2607457616039024E-120,3.1556209960125155E-203,5.890181214464276E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1392011093954677,3.0292596428907275,0.9413048256991668,4.673280018889844,0.3300062152609259,0.7166517962847783,0.2510900403200052,0.030229648630757465,3.814060565476791E-20,9.920990250934088E-60,4.9779086433311515E-121,4.81742342976221E-204,8.992048482361824E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.074611355723913,3.308556819937773,4.758304455830258,12.467119711666157,2.7192185907952138,4.219097229260336,2.280176566533371,0.23324625327403167,2.905153632506728E-19,7.556605810341801E-59,3.7915662703584446E-120,3.669328124313621E-203,6.849050508551063E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0295340035241596,3.5637013004034594,4.192285817228817,8.24540250771013,0.8230389349957311,1.431948665000098,0.62212461421932,0.3073620391286474,4.089048027917736E-19,1.0637229323717308E-58,5.3372861117584455E-120,5.165214754720977E-203,9.641224644970013E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7176508278747677,1.3307431507864231,0.5329177629719565,0.47961499913757455,0.37157981398725665,0.48966508911439083,0.4700137181891031,0.4034027044737825,3.5813117416331477,3.910295374402281,8.709724998359475,0.2767922196872469,1.3630815117772763,1.8142065716185962,0.7393751041029415,0.14488037664183875,0.6723113152655497,0.2739987036154092,0.5988915409149296,0.15181016940794895,0.029692784371421834,2.6984620523633764,1.7113430477189742,4.604144619850576,0.5084669728983244,0.7803944946943004,1.535482060090556,1.0446347177319437,0.31486662301125556,0.5303940808946735,0.3608430768311448,0.4089404676252478,0.29725501632993523,0.1430091037260205,2.8949834008337554,2.416410525232814,5.8164456155473125,0.3368557365887276,0.8492045876812035,1.7790868812249514,1.2966778322090897,0.5119920055004982,0.4958772348848918,0.3614174354035259,0.530991562226818,0.45044027943612835,0.3705168703703197,3.587756718934539,3.88166946453716,8.65054183141535,0.28594200543262654,1.351948712033266,1.4826170345938472,1.1638298468799964,0.3929560453156449,0.4877987783475391,0.3829139718929422,0.3674610280479428,0.36123021871238076,0.22414004601343454,3.039402926789488,2.7654512570349143,6.482905324249842,0.3060691253607219,0.952831292773758,1.7624233908035243,1.3574435056089103,0.5556371278494234,0.4795052268123872,0.3693217302031174,0.5153922468087307,0.4890774598193347,0.43677303739742307,3.675504024261858,4.125904067574578,9.130708903469221,0.27324043552325705,1.4412427440254885,1.7784517077049387,1.3009624378760962,0.5130356400238782,0.4950526281066653,0.3621379603102884,0.5297396729736249,0.4529574252281456,0.3719286838182236,3.5924497856049133,3.893548076377474,8.673007842216608,0.28578588262543064,1.354625782019994 +UMLCN0033,L,2-nonanol,CCCCCCCC(C)O,Alcohols,,C9H20O,NREL (2014),IQT,PubChem,,39.6,0,-2.1361000000000008,4.562923210000004,35.2295,29.977859999999968,0,0,30,10,20,0,9,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1574.6663699999979,1592.4386209999993,1822.0304889999977,1546.2174509999961,1296.0851059999961,1096.2801849999971,899.5234560000002,702.7667270000002,506.0099980000001,4649.717781326926,5952.874057735779,7811.404220420688,7805.413994974969,6655.424352789435,5555.374774541525,4548.576429586405,3541.778084631285,2534.9797396761583,215.58564000000013,215.06418800000003,397.825972,538.2702599999998,486.88347199999964,403.84317999999985,340.95828,278.07338000000016,215.18848000000014,34.63556209697999,45.34264987600001,64.81806507418806,69.49406649516801,60.8669797017151,50.51161212777208,41.49008326837606,32.46855440897998,23.447025549583977,5024.953531097481,4262.210860376251,8651.487324972839,12504.194692311621,11610.987723641418,9577.279612530074,8098.324457491478,6619.369302452881,5140.414147414284,79.27777777777777,64.25,105.99999999999997,134.41666666666666,109.16666666666667,93.91666666666667,81.66666666666667,69.33333333333333,60.0,52.488878999999926,54.91167658620687,33.12782707272723,20.61623267999995,18.783842115941972,19.232985701754334,18.740072000000005,18.019659666666673,16.866999933333336,154.99059271089754,205.27151923226825,142.02553128037616,104.07218659966625,96.45542540274543,97.46271534283377,94.76200894971676,90.81482268285346,84.49932465587194,7.186188000000004,7.416006482758622,7.23319949090909,7.176936799999997,7.0562822028985455,7.084968070175436,7.1032975,7.130086666666671,7.172949333333338,1.1545187365659997,1.563539650896552,1.1785102740761464,0.9265875532689068,0.8821301406045667,0.8861686338205629,0.8643767347578346,0.8325270361276919,0.7815675183194659,167.49845103658268,146.97278828883623,157.2997695449607,166.72259589748828,168.27518440060027,168.02244934263288,168.7150928644058,169.72741801161234,171.34713824714282,2.6425925925925924,2.2155172413793105,1.9272727272727268,1.7922222222222222,1.5821256038647344,1.6476608187134503,1.701388888888889,1.7777777777777777,2.0,0.23765665935631988,-0.11004467982131791,0.002033939262048926,-0.031879931610621484,0.018142347921967117,-5.0846361197244214E-5,-3.901079241034064E-4,0.0014066528565657085,0.011497766359633538,880.987351200001,-67.03135856000087,-248.2016432000009,-207.15679279999972,48.76023244000011,5.26750992000002,5.108468480000067,4.949427040000057,4.7903856000001035,1416.7305897668537,-75.80236296190384,-544.6765251295974,-216.12448268941273,56.625785954268096,-13.005039924402787,-13.349526670023216,-13.694013415643475,-14.038500161263961,1.141531199999998,-0.07933455999999714,-0.016402399999998218,-0.2676407999999997,0.016634239999997774,-0.01158608000000123,-0.019830720000000697,-0.028075360000000164,-0.03631999999999966,6.276760197659992,-0.2216912246439812,-2.6915146968199823,-0.5590148371319993,0.14373813308299677,-0.14373003680000185,-0.15126427680000276,-0.15879851680000368,-0.16633275680000448,34.46942793907662,-1.0286409790804139,-15.060003093017457,-2.425008516973632,0.5900432463747467,-0.9388636733916065,-0.9944535240165986,-1.0500433746415925,-1.105633225266585,25.05185185185183,-3.4353086419753103,1.9549382716049386,-5.629629629629639,-0.04703703703703434,-0.6874074074074059,-0.9718518518518504,-1.3396296296296288,1.292592592592592,0.007921888645210663,-0.003794644131769583,3.6980713855435025E-5,-4.250657548082865E-4,2.629325785792336E-4,-8.920414245130563E-7,-8.127248418820967E-6,3.6068021963223294E-5,3.8325887865445126E-4,29.36624504000003,-2.311426157241409,-4.512757149090925,-2.762090570666663,0.7066700353623204,0.09241245473684245,0.10642642666666806,0.1269083856410271,0.15967952000000346,47.224352992228454,-2.6138745848932357,-9.903209547810862,-2.88165976919217,0.8206635645546101,-0.22815859516496118,-0.278115138958817,-0.3511285491190635,-0.4679500053754654,0.03805103999999993,-0.002735674482758522,-2.9822545454542213E-4,-0.0035685439999999955,2.4107594202895326E-4,-2.0326456140353036E-4,-4.131400000000145E-4,-7.198810256410298E-4,-0.0012106666666666553,0.20922533992199974,-0.00764452498772349,-0.04893663085127241,-0.00745353116175999,0.0020831613490289386,-0.0025215795929824886,-0.0031513391000000577,-0.004071756841025735,-0.005544425226666816,1.1489809313025539,-0.035470378588979785,-0.27381823805486283,-0.03233344689298176,0.00855135139673546,-0.01647129251564222,-0.020717781750345804,-0.026924189093374167,-0.0368544408422195,0.835061728395061,-0.1184589186888038,0.03554433221099888,-0.07506172839506185,-6.816961889425266E-4,-0.012059779077322912,-0.020246913580246884,-0.034349477682811,0.0430864197530864,-0.47900750713830237,0.0046681688561467545,-0.0536571231741901,0.03319064308461275,-1.1260464069415541E-4,-0.0010259230825889554,0.004552957454789388,0.04837973566898825,-0.07871030681971748,-0.15367157574773543,-0.09405664792704665,0.024064024338139204,0.0031468938099156567,0.003624107424074942,0.004321573475538464,0.005437519157880162,-0.05535014074885032,-0.20970556334441678,-0.061020629963239405,0.01737797370542406,-0.004831375777715969,-0.005889231325299162,-0.007435327894843737,-0.009909082406115216,-0.0718948675977983,-0.007837511262383964,-0.0937830871376972,0.006335594034458813,-0.005341892400405632,-0.01085752189690519,-0.01891882654563531,-0.031816913983603534,-0.036537280764239205,-0.23389437851799516,-0.0356244189376808,0.009956544220721791,-0.012051979907990812,-0.015061938009874392,-0.019461107543396545,-0.026499778797031973,-0.030871163848444752,-0.2383139968601968,-0.028140977810942974,0.007442552929961277,-0.014335566471907738,-0.018031440893330475,-0.023433103509256058,-0.03207576369473694,-0.14185648157588876,0.0425649158647385,-0.08988764044943844,-8.163422723883014E-4,-0.014441781568053766,-0.024246008279124764,-0.04113405813583225,0.051596688350088724,1.4354754835102033,0.7501646155136907,1.0718515503997832,0.7623329017322593,0.7905162630956695,0.9072788178839756,1.0724044739221044,1.3144060151396548,1.4420686020855091,1.272330549933057,1.0736849121139416,0.8618404648224073,0.9034488455701093,0.9067953400467992,0.9116863704358074,0.9195120190582207,1.5512182844781197,1.4108342758783106,1.0140173463304873,0.898092582920042,0.9254705777385216,0.9069845341814288,0.8799664705210621,0.8367375686644758,1.0524951048206144,0.8220425974579356,1.2192250782691432,0.6805394749423076,0.8026708552174528,0.9280677859118831,1.1113402230806662,1.404576122550719,1.5847161368691844,1.459028294172105,0.9870011854085646,0.9025166268549458,0.9293657579529008,0.9098760240341548,0.8813910283067569,0.83581503514292,1.5873589601036386,1.4648732507085465,0.9817435565790685,0.9004587306084232,0.9286447204931876,0.9111217859217114,0.8855113430864773,0.8445346345501025,1.1298787699586055,0.751854738992528,1.2116203429923134,0.6710719152546737,0.8021958355379882,0.9405492312241286,1.1452315425556119,1.3569633353045547,64.37173840817059,32.31086920408529,51.67341833430979,64.57173840817059,6.45717384081706,32.31086920408533,0.2499999999999929,0.07968445058894097,0.007968445058894097,-2.5296808114807687,50.53491535706318,5.053491535706318,3.9226644905883115,64.37518092146925,32.312223250283964,51.675043009544616,64.5745933847482,6.45745933847482,32.312223250284,0.24926557909868308,0.07963572966528676,0.007963572966528675,-2.5302924216998286,50.532471157472145,5.053247115747214,3.9226161228670158,67.48952529086262,33.54526540640229,53.17864689634014,67.17032970841618,6.7170329708416165,33.545265406402294,-0.3989944780580359,0.03400217198690686,0.003400217198690686,-3.381330874438493,48.9835542526635,4.898355425266351,3.8914846142784496,64.37879408491897,32.31364444256896,51.67674830832206,64.57758992509413,6.457758992509413,32.31364444256899,0.24849480021894976,0.07958459015359765,0.007958459015359765,-2.5309347959081685,50.52990766283633,5.052990766283633,3.9225653919290293,70.91136169620788,34.91453371593436,54.91587732292877,70.04552628473655,7.004552628473656,34.91453371593436,-1.082294264339147,0.02079343374818582,0.002079343374818582,-3.873118027297296,48.78216267970381,4.878216267970381,3.8873647271822724,64.73316862284989,32.45315140436407,51.84443167959876,64.87167597155249,6.487167597155249,32.4531514043641,0.17313418587824714,0.07455144427180749,0.007455144427180749,-2.596265864762435,50.287668710980945,5.028766871098094,3.917759892199057,69.60198519924049,35.08957284653381,56.87334632018077,70.0637135943022,7.00637135943022,35.08957284653381,0.5771604938271437,0.08269406031872423,0.008269406031872423,-2.492607501554498,49.33667351346528,4.933667351346528,3.8986676891580596,0,11.996268805592718,15.99794329254869,-0.41849401361241567,0.07761944177288674,4.5665875211734726,7.386512160053411,9.0,29.0,29.0,29.0,9.0,0.0,0.0,0.0,0.0,0.0,21.864139999999995,3.522034420781051,3.33778305834394,3.0128145784990275,2.588539739809004,2.1834207452812646,2.042460732920716,1.6619243591744757,1.331926981086281,1.919072905248248,1.7727010325594306,1.5659666785599546,1.3196907113382557,1.0571264587006037,0.8304585387669299,0.6788659900894997,0.5823809430092378,3.536997847323094,3.3439493365135853,3.0305403563320654,2.633944520801815,2.2277028544564748,1.9349004719819478,1.6851678656006974,1.4193281030858769,1.8647499144313344,1.7198753662326534,1.4958900828525166,1.2211712295936175,0.9504235905802177,0.7648237076467193,0.6086855795514386,0.45542851479247015,3.6680645640442235,3.500934238324901,3.2213110984759408,2.867626386803708,2.532324419608444,2.3644860593689216,2.106606649398486,1.8730354820344048,1.6828068988073905,1.5069107518444345,1.2376961024535758,0.908653634976799,0.5712854425107182,0.2963637398568239,0.10241519563683897,0.06819646603066686,3.554931225970291,3.3608207762255606,3.054264564981492,2.6716077857797846,2.275306533281289,1.9533161286712137,1.7129338479404403,1.4857969118198828,1.8311440668928134,1.6866712321206265,1.450870662763088,1.1572674957621192,0.8850571244132618,0.7379284693643026,0.5366667786335519,0.35934803154094824,3.72402615567834,3.5612996194595423,3.2997733944189847,2.974467293937718,2.657783265166366,2.460877163388602,2.2572689542176505,2.058291914340484,1.6288801683375582,1.447960512620958,1.1620503360752634,0.8068410046480864,0.44657899234547777,0.17607754549320853,0.035014630408108094,0.2460041005764091,4.427677537614416,3.53263843321189,3.2948829308080545,3.026851655603026,2.784609198386421,2.367929407432613,1.9634307504227555,1.665223671945572,1.7857198949166329,1.578628213700066,1.2977864088482707,1.0045528910563424,0.7129656610540059,0.4410229372320626,0.2308025700251064,0.0992614787409605,0,0,0,0,0,2,7,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.18257418583505536,0.0,0.0,0.0,0.2886751345948129,0.20412414523193154,0.14433756729740646,0.12909944487358055,0.09128709291752768,0.06454972243679027,7.819990956308912,4.7700556100296625,3.59673554708526,1.885027805014831,1.1561392483545432,0.6925139025074155,0.4012929288806348,0.2165063509461097,0.7819990956308912,0.5300061788921847,0.3996372830094733,0.2692896864306901,0.1926898747257572,0.1385027805014831,0.1003232322201587,0.07216878364870323,7.26720455180887,4.450904230587198,3.0519100630139873,1.7254521152935987,1.0433021960401394,0.6127260576467993,0.34487440272343284,0.1766124285158016,0.726720455180887,0.4945449145096886,0.33910111811266525,0.24649315932765695,0.17388369934002323,0.12254521152935986,0.08621860068085821,0.058870809505267206,15.133077142275601,29.20903131828113,27.60392156862746,27.999999999999993,17.465784431137724,231.694377245509,0.5044359047425201,0.9736343772760377,0.9201307189542487,0.9333333333333331,0.5821928143712575,7.723145908183634,2.727700000000002,45.05680000000002,32.77768137085279,52.236788515417416,65.55536274170558,6.555536274170558,32.77768137085281,0.06273100689394723,0.006273100689394723,-2.7688994257676924,49.79340041132606,4.979340041132606,3.907882453387887,111,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,6.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5491211577223483,0.0,8.908893061854371,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5491211577223483,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4508788422776515,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.077865724993702,0.0,7.442290721844294,0.0,0.0,0.0,-0.09571617535903276,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.908893061854371,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5491211577223483,0.0,8.908893061854371,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5491211577223483,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2123456790123457,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8609332482993197,0.0,0.9759070294784581,0.0,0.0,0.0,-0.09571617535903276,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.908893061854371,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5491211577223483,0.0,8.908893061854371,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5491211577223483,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2169324766943816,0.0,1.3470332577475435,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.908893061854371,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.333333333333336,2.0333333333333337,0.5491211577223483,8.908893061854371,0.2123456790123457,-0.09571617535903276,5.30814274659864,1.429049508692366,2.9088930618543714,6.251651077097506,1.429049508692366,2.9088930618543714,6.251651077097506,4.83333,0.48333,0.0,0.01667,0.45889,0.77667,0.425,0.45889,0.73333,0.03389,0.0,-0.03389,0.04333,0.62232,0.09197,0.0,0.27586,0.10345,0.0,4.75,0.475,4.75,0.475,0.0,0.0,-4.75,-0.475,0.0,0.0,10.3945,1.03945,11.32243,0.92793,0.09279,4.47593,0.44759,4.77005,0.29412,0.02941,0.14395,0.0144,0.14395,0.0144,0.0,9.01,1,1,1,1,1,1,1.0,1.07462769858425,1.6328773369500167,2.6892464285091586,3.4314018453921715,3.2477426785812744,2.4483172359339376,32.2388309575275,48.9863201085005,80.67739285527476,102.94205536176514,97.43228035743823,73.44951707801813,0.2190038024377395,0.332772313776749,0.5480551025359995,0.6993027006681474,0.6618738721193175,0.4989549263896547,3.8322628970242687,3.274013258658502,2.21764416709936,1.4754887502163472,1.6591479170272443,2.458573359674581,0.22120870782781435,0.33612262760759043,0.5535728590141464,0.7063432007728678,0.6685375430325221,0.5039783478752872,9.26227924388505,13.862524595659991,18.41159683429355,19.615776122098072,16.22283797479854,13.89961050441895,37.246846793936896,30.226362479531446,24.976139269416127,21.76915334203325,28.03007385080234,32.369369199034836,10.0,7.111111111111111,9.142857142857142,10,0,9,2.3400000000000003,1.4354000000000005,0.12499999999999997,3.4082726272682864,0.7559289460184545,0.0,7.473424936522629,2.0041451295984074,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.403,0.395,0.41000000000000003,0.19,4.887,9.0,7.0,6.0,5.0,4.0,3.0,2.0,0.0,0.0,55.0,2.302585092994046,2.302585092994046,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.0,0.0,4.02535169073515,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.6666666666666666,9.0,1.0,0,4.0,8.0,1.0,1.5,0.44444444444444464,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.0,0.0,0.0,0.16666666666666666,0.04938271604938274,0.03571428571428571,0.026666666666666672,0.022222222222222227,0.02040816326530612,0.020833333333333332,0.0,0.0,0.0,0.3418940539178635,32.77768137085279,52.236788515417416,65.55536274170558,6.555536274170558,32.77768137085281,0.06273100689394723,0.006273100689394723,-2.7688994257676924,49.79340041132606,4.979340041132606,3.907882453387887,20.23,173.01054703416122,4.321928094887363,3.6109179126442243,4.23410650459726,4.919980925828125,5.564520407322694,6.255750041753367,6.90875477931522,7.601402334583733,8.258163361537619,8.951180966457603,75.30477723403985,2.9444389791664403,0.0,4.007333185232471,0.0,5.198497031265826,0.0,6.447305862541213,0.0,7.727094484779841,8.058643712215618,144.15141526,4.805047175333333,18.662654583954428,1.8662654583954428,2.3799307610099647,2.3799307610099647,0.0,158.0,7.0,3.587,36.0,1.2301724137931034,2.1319205990317696,2.8572677607738046,3.5473378599068877,4.8195570398427146,5.828901946275198,7.078152084535695,8.140031877850655,9.28838484698925,10.110726142489677,79.25338549110343,79.07354578901962,69.72206188051557,85.42090854467845,109.65854471000698,128.78401046906973,143.960085368737,153.02523163452454,66.48686437715189,10.27314484724263,278.90168135381657,324.22299554330215,324.9837231442705,401.9726749072382,520.4469213069699,613.8409987259064,693.1423716151421,735.9501569799869,635.095005624517,314.2792274242745,9.151019188689652,15.492009937852625,20.56814540114995,25.17875687064527,34.27703919916855,41.55304718728306,50.6090818934877,58.518316814036716,67.39692047502206,67.92854960217575,2.0658477671166198,2.6360933862784472,2.804964003050532,3.5186095350920534,4.589425675148118,5.438503253931486,6.214964830639247,6.6761665246384885,6.477472327794542,4.495359320345059,178.3577891783055,331.98494643221176,473.06824953905976,583.9534721827325,800.1543631961833,969.8831747322091,1190.6881332432388,1383.1799503631607,1612.054133664837,1869.651738529383,2.777658045977011,4.2670114143374,5.236984176509845,5.868813288995328,8.180873530450933,10.206064890365901,12.877724573916819,16.71038542036966,19.273761562705676,10.110726142489677,0.441195227586207,0.5785968188973869,0.6252076079880436,0.7735222582648409,1.0182310442448614,1.2166726815674538,1.4128803700733634,1.5552241647854617,1.5456752305541768,1.035338356990943,463.3344872974195,366.40623620879643,17.24191610837009,173.16154364798624,-136.93664340473805,-20.02984809107471,290.17294364943325,503.3428796135345,37.2717641994448,0.7279456033829708,0.575661462750306,0.027088803810386967,0.272054396617029,-0.21514139404976668,-0.03146892850427331,294.91056216493206,233.21611506054379,10.974411168871223,110.2166352443229,-87.15963001810216,-12.748918810408469,0.26568609447452834,0.4966503832144816,6.747393656118593,14.65322444951716,581.5958157509904,54.90021519441545,0.913746178255235,0.08625382174476498,594.3324520705041,24.378934596706724,8.407685954998477,796.4170696884249,28.22086231298443,9.26929818494473,991.2209441872939,31.483661543525937,9.97065042514205,2.8945068752767367,2.8945068752767367,1640.731831010097,1591.4468528260727,95.80552781283563,1.0309686610624191,17.12564888964871,16.61122159814308,5.240996001222101,5.6454556919422,11.281711498940464,0.9983703910816152,6.013447924876899,7.970919029643725,4.171318002177803,31.639097810844888,14.852650062124804,1.4781970101557018,5.205362757250297,10.942031126116191,17.48297940722371,1.4620675459073946,2.8296558524461544,16.514341886937565,5.859988318672485,10.590124770839754,2.729381027378535,0.8607443782882864,2.943299424799694,4.237344019534692,0.7641567122016854,2.3401866838351744,0.34640345823415597,0.017048723176411977,7.836303603535253E-23,6.948258438477839E-65,1.1882739552933633E-128,3.919521923166262E-214,2.49E-321,0.0,0.0,0.0,0.5245720652607242,8.097622428957392,0.3151278695103841,8.238881781551946,0.3874838164762187,0.023360043332683416,0.7585818141282272,0.46538028194881503,5.4099939711313265,0.0716978354193689,0.043010765480637765,1.9742853754233032,0.27885887220235217,3.7457443338580902,0.11492222440425776,0.06127733134780711,1.0728541696904597,0.1534598183903708,0.7640298212242246,0.17256760895428372,0.0024397560529623627,1.2007555132518267E-4,5.519172701729797E-25,4.89371523085324E-67,8.369110626690027E-131,2.7605513385687943E-216,2.0E-323,0.0,0.0,0.0,1.573933491571812,7.861409979355867,0.9490264821105759,9.659876445455959,1.4195822706165424,0.1251536361532527,1.6380253688785527,1.7211698461692768,6.9428845553164935,0.23046625380201624,0.2643423019403687,3.691935766067121,0.921142591547523,4.694331027771019,0.4460423397190694,0.1984076684035532,0.8737240356007615,0.5295257867556616,0.7640503976674822,0.5727702545184815,0.025424074963971706,0.0012512798235450972,5.75140348565447E-24,5.099628577976618E-66,8.721258534832019E-130,2.8767073344156376E-215,1.8E-322,0.0,0.0,0.0,5.899162370852107,8.0974356658028,4.092930673166668,29.79102801073238,13.488563654184354,1.3582911818277923,4.9238623952280784,10.157755195161595,16.826051102254546,1.4129289454796385,2.5361317683171216,15.624427924795762,5.6196112993436635,10.540872548566192,2.4980145821164594,0.8025831819392657,3.1163588856855577,4.055462750944668,0.7641475674730307,2.192538312602564,0.3086392504247493,0.015190105412771425,6.98200542952523E-23,6.190773175417914E-65,1.0587307010257747E-128,3.492223468261761E-214,2.223E-321,0.0,0.0,0.0,2.2527875568682365,7.771667680988326,1.3759519460178813,11.541475852351292,2.6662011179591762,0.2432956822921113,2.2501576284954177,2.8027843659596945,8.176551632421702,0.3562468685690402,0.5194541018842296,5.254265840322506,1.439347461765886,5.411145842849995,0.7333992222258341,0.3002804762699671,0.8950235444491562,0.8652239645681485,0.7640659751836459,0.860043095680158,0.05522446804366455,0.0027179469810430634,1.249281691149376E-23,1.1077074717534544E-65,1.8943738930022338E-129,6.248592735050703E-215,3.95E-322,0.0,0.0,0.0,7.442739450505718,8.051232298817034,5.362208365370252,42.34676751374056,21.374283923345004,2.1518335443883108,6.260701662841941,14.86910109912932,21.872822566502084,2.0118600598211023,4.056018555176269,21.430233957437625,8.046923219230056,12.706109967142632,3.6687437502484044,1.08655608917209,3.924499272734128,6.0053368428799585,0.7641947181615839,2.9038347999072074,0.5051968616351228,0.024863960486977373,1.142851233761804E-22,1.0133381924263194E-64,1.7329858879400545E-128,5.716254362102766E-214,3.636E-321,0.0,0.0,0.0,5.135293894490721,8.281300054845238,3.4024301906562293,21.721311930617,7.431881662308587,0.8040519132300551,3.301759814022477,6.137208117494457,13.43337144013445,1.129052917569332,1.1716897507685684,11.776748541570642,4.284891327530475,10.686487029718661,1.3238842256673813,0.4518775030996554,5.318460787136588,3.112985570166471,1.2050082136338716,1.723119122768405,0.13657555356956722,0.006721751863496123,3.089597256342455E-23,2.739470201000727E-65,4.684974112541167E-129,1.5453388220596025E-214,9.8E-322,0.0,0.0,0.0,11.838494697412186,0.8341787657337766,0.5723723540660103,0.8938054923168353,0.06298043640209679,0.5610806244871221,0.5345304420218022,0.4993877565938388,13.245045817211972,17.128908837243866,36.02637255942415,0.8407082384752529,1.5949988231027632,10.979600136614286,0.5175801824949533,0.1613142199128741,0.9417682617480755,0.04439511300216011,0.4851588786331288,0.17945317164675692,0.03346934229049973,11.658494539022113,7.537482116805192,20.112696886345564,0.9126523926221132,0.6980813925703854,11.22509690375214,0.5902999130791191,0.32670234386227853,0.9244774528024016,0.04861596872722312,0.5046317835794477,0.2649413845136979,0.16009570362813294,12.142099160693538,10.486291560311255,24.793177208320255,0.8867161792036025,0.9296688717212787,11.83367271983054,0.8414750050332271,0.5594544625121092,0.8941464618497076,0.06358143547645785,0.560789502149922,0.5296207908720381,0.4583296283608059,13.234602187375875,17.04890776915621,35.8544119305996,0.8412196927745613,1.5487399213827657,11.374277366579626,0.6381009124874133,0.40001738919775376,0.9163643885169275,0.05140836060510609,0.5178920393280118,0.3243318833316993,0.2544696410407432,12.412395668264793,12.063096963747597,27.378793548309865,0.8745465827753913,1.0966935637004542,11.921458020464728,0.869957718815601,0.602321945122263,0.8900770122105365,0.06495257256148095,0.5689924885631614,0.577010456088175,0.5472867847264831,13.393737684402591,18.0757148333903,37.716232447104076,0.8351155183158047,1.6932897293778195,11.875681654922623,0.8436510035550012,0.5610352962234674,0.8942283598941078,0.06352617686743829,0.5647776972792443,0.5319305204697387,0.4603639685958238,13.280367954701092,17.154925311889006,36.056267045556794,0.8413425398411616,1.5570721863448067 +UMLCN0034,L,2-butanol,CCC(C)O,Alcohols,,C4H10O,NREL (2014),IQT,PubChem,,8.5,0,-0.6961000000000006,0.48455521000000085,20.6715,14.509930000000002,0,0,15,5,10,0,4,0,1,0,0,0.0,0.0,0.0,0.0,0.0,843.1851250000002,750.0471359999998,853.4878039999999,562.4338059999999,147.355488,12.192768000000001,0.0,0.0,0.0,2221.295828270979,2687.923385283945,3243.6686621090253,2771.422270199356,1484.3696285030537,373.00493317116315,0.0,0.0,0.0,110.69841999999997,106.18528800000001,184.17843200000007,223.84576000000015,172.29542400000005,80.62156799999998,0.0,0.0,0.0,16.244933048490005,20.262706776,26.379614349942994,24.386422198187976,15.623694795886006,5.335354858188001,0.0,0.0,0.0,2541.80523040499,2097.0136027972503,4030.4763301435937,5109.418917118638,4216.257792418236,2219.011824290988,0.0,0.0,0.0,58.02777777777778,38.0,59.66666666666666,76.0,46.0,12.0,0.0,0.0,0.0,56.21234166666668,53.57479542857141,34.139512159999995,18.74779353333333,6.139812,1.016064,0.0,0.0,0.0,148.0863885513986,191.9945275202818,129.746746484361,92.38074233997853,61.84873452096057,31.083744430930263,0.0,0.0,0.0,7.379894666666664,7.58466342857143,7.367137280000003,7.461525333333339,7.178976000000002,6.718463999999998,0.0,0.0,0.0,1.0829955365660002,1.4473361982857145,1.0551845739977197,0.8128807399395992,0.6509872831619169,0.4446129048490001,0.0,0.0,0.0,169.45368202699936,149.7866859140893,161.21905320574376,170.3139639039546,175.6774080174265,184.917652024249,0.0,0.0,0.0,3.8685185185185187,2.7142857142857144,2.3866666666666663,2.533333333333333,1.9166666666666667,1.0,0.0,0.0,0.0,0.21619734886002712,-0.11045061332759654,0.014042513043158537,-0.020379061241865292,-0.01117985740371649,0.019868344500006227,0.0,0.0,0.0,476.9038497333333,-65.66428988444412,-40.394396555555375,-209.54241439999998,-108.52303784000026,185.67221381333297,0.0,0.0,0.0,665.157589150708,-80.97945498155487,-184.8855119589772,-221.2917838737186,-100.46150356153191,255.03945980042906,0.0,0.0,0.0,1.034995733333333,-0.10335015111110998,0.0036527111111114875,-0.39131039999999845,-0.1766598400000009,0.15016981333333124,0.0,0.0,0.0,2.8968984481633338,-0.2880182680217784,-1.187267327227222,-0.6720284371319999,-0.2187988909659998,0.9176636992653336,0.0,0.0,0.0,16.061086142163315,-1.4774818384050803,-7.083971123343865,-3.2588562763486726,-0.8557930698493517,4.6455592368653065,0.0,0.0,0.0,23.270370370370365,-4.6560493827160485,1.3993827160493835,-6.707407407407409,-4.943703703703708,3.2725925925925927,0.0,0.0,0.0,0.014413156590668474,-0.007889329523399753,5.617005217263414E-4,-6.793020413955098E-4,-4.658273918215204E-4,0.001655695375000519,0.0,0.0,0.0,31.79358998222222,-4.6903064203174365,-1.615775862222215,-6.984747146666666,-4.521793243333344,15.472684484444414,0.0,0.0,0.0,44.343839276713865,-5.784246784396776,-7.395420478359088,-7.37639279579062,-4.185895981730496,21.25328831670242,0.0,0.0,0.0,0.06899971555555554,-0.00738215365079357,1.461084444444595E-4,-0.013043679999999948,-0.0073608266666667045,0.012514151111110936,0.0,0.0,0.0,0.19312656321088892,-0.020572733430127027,-0.04749069308908888,-0.022400947904399997,-0.009116620456916658,0.0764719749387778,0.0,0.0,0.0,1.070739076144221,-0.1055344170289343,-0.2833588449337546,-0.10862854254495576,-0.03565804457705632,0.3871299364054422,0.0,0.0,0.0,1.5513580246913576,-0.33257495590828917,0.055975308641975335,-0.2235802469135803,-0.20598765432098784,0.27271604938271604,0.0,0.0,0.0,-0.5473700000253623,0.03897137439622378,-0.04713069181773207,-0.03231959556472949,0.11487389071124555,0.0,0.0,0.0,-0.14752364935636647,-0.05082080580160014,-0.21969042031970198,-0.14222342446580463,0.4866605027332918,0.0,0.0,0.0,-0.13044082061325346,-0.16677447417690378,-0.16634538001458438,-0.09439633667282891,0.4792839019661315,0.0,0.0,0.0,-0.1069881751157334,0.0021175224168398115,-0.18903961987347254,-0.1066790871150779,0.18136525651377639,0.0,0.0,0.0,-0.10652461830256962,-0.24590451100830882,-0.11599102439336,-0.04720541962402944,0.39596818618510027,0.0,0.0,0.0,-0.0985622168651661,-0.26463855784001306,-0.10145192695883666,-0.033302272581161904,0.361553944402136,0.0,0.0,0.0,-0.21437666264978059,0.036081489734203435,-0.14411905140856285,-0.132778927264046,0.17579181919465228,0.0,0.0,0.0,1.4303507300185445,0.7065514201698577,1.2666887117438625,1.079658355570211,0.28323686579108026,0.0,0.0,0.0,1.3946504172107372,1.0746631975535048,1.2091161594154272,0.9306178932395524,0.0,0.0,0.0,0.0,1.6116802173128446,1.2961143187356752,1.0271553686987906,0.80078991367769,0.0,0.0,0.0,0.0,1.046261317921053,0.834614455093406,1.516010114309006,1.000278197604164,0.0,0.0,0.0,0.0,1.6965599023193287,1.411999961766507,0.9597445000297927,0.7148261384363728,0.0,0.0,0.0,0.0,1.7047907970940608,1.4328234877084354,0.9544365463688897,0.6949685523710668,0.0,0.0,0.0,0.0,1.1626611491325802,0.8014961005888909,1.4672926945726565,1.0277733566767469,0.0,0.0,0.0,0.0,13.957274224334764,7.103637112167384,10.86839614278685,14.107274224334766,2.8214548448669534,7.105467186647555,0.25000000000000266,0.08863417143992691,0.017726834287985382,-1.2116189067805663,12.024100534337279,2.4048201068674557,1.2434565067774404,13.960080424335139,7.104673001716916,10.869656875860487,14.109639771794356,2.8219279543588716,7.106500759379446,0.24926557909869373,0.0885650920635252,0.01771301841270504,-1.212008746887886,12.024507095330335,2.404901419066067,1.2434734125791964,16.47296295235248,8.036984237147223,12.20123321991376,16.23356626551766,3.2467132531035316,8.037626882662844,-0.39899447805803234,0.00780093611721,0.001560187223442,-2.4267557687304477,15.489003885089673,3.0978007770179348,1.3700651726972723,13.963025671208179,7.105760235713557,10.870980411089944,14.11212255133954,2.822424510267908,7.107585565553389,0.24849480021893644,0.08849252598168789,0.017698505196337578,-1.2124185913594288,12.02493651948625,2.40498730389725,1.243491268466544,19.173113771084118,9.045409753372482,14.341585280890287,18.523737212480626,3.7047474424961253,9.045637455896186,-1.0822942643391524,0.14124033098468658,0.028248066196937316,-0.9786461822521866,39.826467758544766,7.965293551708953,1.8422658551610587,14.251584167596032,7.212359176737169,11.002397168469619,14.355464679123017,2.8710929358246036,7.213964287080869,0.17313418587830576,0.08104733593301461,0.016209467186602922,-1.2563609503833817,12.082001185317143,2.4164002370634288,1.245858419911291,15.040187198009729,7.81349637678264,12.456504575598089,15.39227053134306,3.0784541062686115,7.814499465755392,0.5868055555555509,0.1203836671525449,0.02407673343050898,-1.0585357050942834,10.50811490902958,2.101622981805916,1.1760739035744416,0,11.996461491259486,15.997941969829798,-0.418509321866824,0.0773160562190692,4.261214376948603,6.232414071495152,4.0,14.0,14.0,14.0,4.0,0.0,0.0,0.0,0.0,0.0,10.932069999999998,3.406798356641884,2.722975579139801,2.1280079320211915,1.6714129489772687,0.9042560399337702,0.08392307051869162,0.08392307051869156,0.08392307051869134,1.8069367222374517,1.4318713598116095,0.9261964042609306,0.6250576665581541,0.291744377811301,0.0839230705186911,0.0839230705186913,0.08392307051869134,3.3925354032847608,2.7512661046685034,2.041205533736889,1.6318362875749048,0.9703310336589894,0.2709139018929374,0.2709139018929371,0.27091390189293696,1.7640349617519366,1.342889420910367,0.8567040281405441,0.5946788236299768,0.15949851460969672,0.2709139018929369,0.2709139018929369,0.27091390189293696,3.557555676585649,2.9980256448113667,2.4538774655680804,2.108977355308005,1.5187059252839663,0.9439184268026218,0.9439184268026217,0.9439184268026217,1.5478894651462665,1.025235221034202,0.40463105697553403,0.04773334126923175,0.43860193310997697,0.9439184268026208,0.9439184268026212,0.9439184268026217,3.404000376019396,2.785438649030123,2.065986552808766,1.6396645837184622,1.034664133085144,0.3992772455089822,0.399277245508982,0.3992772455089819,1.7381021878500116,1.2858767643848266,0.8249401379878605,0.5439572439635302,0.060252211972659474,0.39927724550898164,0.39927724550898186,0.3992772455089819,3.610874584437564,3.099703923607378,2.5547716374926823,2.2448941153827673,1.7209954231156486,1.2076448229620886,1.2076448229620882,1.2076448229620882,1.4933696994973271,0.925753363516109,0.2827066247812534,0.08086369518178904,0.637336496582509,1.2076448229620862,1.2076448229620875,1.2076448229620882,4.223225424459555,3.200918032068288,2.8355243358097177,2.0202297203115216,1.2766187801548075,0.5853658536585371,0.5853658536585368,0.5853658536585366,1.6386637512997675,1.1119603461052574,0.556513661860749,0.11491591568897441,0.3045617723947612,0.5853658536585358,0.5853658536585359,0.5853658536585366,0,0,0,0,0,2,2,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.18257418583505536,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.18257418583505536,0.0,0.0,4.284457050376173,2.270055610029662,1.8020951405812151,0.8164965809277261,0.0,0.0,0.0,0.0,0.8568914100752346,0.5675139025074155,0.4505237851453038,0.4082482904638631,0.0,0.0,0.0,0.0,3.731670645876131,1.9509042305871973,1.2572696565099426,0.5908224762989185,0.0,0.0,0.0,0.0,0.7463341291752262,0.4877260576467993,0.31431741412748565,0.29541123814945924,0.0,0.0,0.0,0.0,7.423938123346227,14.769847050254914,13.9764705882353,14.200000000000006,8.473011976047902,116.5531017964072,0.4949292082230818,0.9846564700169942,0.9317647058823533,0.9466666666666671,0.5648674650698601,7.770206786427147,0.7772,21.971799999999995,7.459294270913427,11.321988793881975,14.918588541826853,2.9837177083653703,7.460499637077917,0.060810163219641444,0.012162032643928289,-1.3999991728808034,12.375954771565192,2.4751909543130384,1.257877729368194,19,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6652777777777779,0.0,8.36111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6652777777777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3347222222222221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.726851851851852,0.0,0.8611111111111112,0.0,0.0,0.0,-0.11574074074074092,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.36111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6652777777777779,0.0,8.36111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6652777777777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.777777777777778,0.0,0.8611111111111112,0.0,0.0,0.0,-0.11574074074074092,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.36111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6652777777777779,0.0,8.36111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6652777777777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.949074074074074,0.0,0.8611111111111112,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.36111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.833333333333332,2.5666666666666664,0.6652777777777779,8.36111111111111,0.2625,-0.11574074074074092,1.975865740740741,1.4490740740740742,2.361111111111111,4.722222222222222,1.4490740740740742,2.361111111111111,4.722222222222222,2.33333,0.46667,0.0,0.03333,0.48444,0.85333,0.41765,0.48444,0.76111,0.0668,0.0,-0.0668,0.09222,0.54687,0.16742,0.0,0.57143,0.21429,0.0,2.25,0.45,2.25,0.45,0.0,0.0,-2.25,-0.45,0.0,0.0,3.72133,0.74427,4.43249,0.71116,0.14223,1.97593,0.39519,2.27005,0.29412,0.05882,0.14395,0.02879,0.14395,0.02879,0.0,4.01,1,1,1,1,1,1,1.0,1.1589385323502772,1.8716022614097982,2.7395722619867224,3.1395722619867232,2.618653515905587,1.1892306109955129,17.38407798525416,28.074033921146974,41.093583929800836,47.09358392980085,39.279802738583804,17.838459164932694,0.29663961761636337,0.4790516180600359,0.7012155050018798,0.8035987149258063,0.6702653815924727,0.3043931182337815,2.7479520632582415,2.0352883341987207,1.1673183336217963,0.7673183336217955,1.2882370797029319,2.7176599846130056,0.30439466665848786,0.49157546373384353,0.7195473808116053,0.8246071948264829,0.6877881283761146,0.31235086702996906,10.661101907048607,15.776212239793256,18.1165974624664,18.519727475266404,12.268702522292772,1.1985363785819323,18.187524801026772,14.10028599532307,12.803416936604586,12.41710322273975,9.291590746252936,3.046773086905403,5.0,2.25,4.0,5,0,4,1.7899999999999998,0.7309000000000002,0.33333333333333337,1.4142135623730951,1.4142135623730951,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.403,0.395,0.41000000000000003,0.19,2.392,4.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,1.6094379124341003,1.6094379124341003,1.0986122886681098,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.772588722239781,1.0,0.3333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.25,4.0,1.0,0,2.0,3.0,0.5,1.5,0.44444444444444464,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.375,0.11111111111111116,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.48611111111111116,7.459294270913427,11.321988793881975,14.918588541826853,2.9837177083653703,7.460499637077917,0.060810163219641444,0.012162032643928289,-1.3999991728808034,12.375954771565192,2.4751909543130384,1.257877729368194,20.23,86.53062390482788,3.321928094887362,2.833213344056216,3.367295829986474,4.007333185232471,4.574710978503383,5.220355825078324,5.796057750765372,6.444131256700441,7.02197642307216,7.6708948313621175,55.93596942475696,2.1972245773362196,0.0,3.2188758248682006,0.0,4.394449154672439,0.0,5.60947179518496,0.0,6.834108738813838,7.183870715062453,74.07316494,4.938210996,8.696801932082174,1.7393603864164349,2.313052529585142,2.313052529585142,0.0,18.0,2.0,0.742,16.0,1.209285714285714,2.097101498663848,2.8265227498070185,3.4011648222758883,4.232203288802951,0.0,0.0,0.0,0.0,0.0,76.0732148847857,80.86255987137302,58.266298002641015,22.49122297506167,4.300189402434282,0.0,0.0,0.0,0.0,0.0,256.14635801683306,292.5833566272694,275.6434627240681,224.17908612181597,131.55272540889345,0.0,0.0,0.0,0.0,0.0,9.195663069428571,15.560275036869138,21.168924907683976,24.41564145025609,28.433905436504222,0.0,0.0,0.0,0.0,0.0,1.8770259697201428,2.321674680211935,2.380552894919096,2.3331274160693503,1.8816921981461707,0.0,0.0,0.0,0.0,0.0,178.75592203578088,334.8392996939692,479.3305014005677,591.729157216272,782.609095054746,0.0,0.0,0.0,0.0,0.0,3.3373809523809514,5.298146944251707,7.3541363176605605,6.566558523078609,4.232203288802951,0.0,0.0,0.0,0.0,0.0,0.4171445785714286,0.5401680481024909,0.5771370060770281,0.5505502387155059,0.4333776167734222,0.0,0.0,0.0,0.0,0.0,301.7784450607227,158.34692777496213,12.599807575369532,160.2987343143297,-84.11075250845559,-18.703977931633254,141.47971074639298,242.45768028341772,31.303785507002786,0.6530909954671865,0.34268502069096407,0.027267755556356302,0.3469090045328134,-0.18202749727267042,-0.040478038662134126,139.44493268984795,73.16850174895964,5.822083545095171,74.0703870093564,-38.86565927422027,-8.642681365742321,0.40041951442144846,0.7485289134546143,8.42405293442337,24.344303629356965,408.5162480363087,53.560931338743686,0.8840866120867872,0.11591338791321286,283.92460633975446,16.850062502547416,6.572556741551606,389.138863139799,19.726602929541595,7.300762184381672,430.70777287159615,20.75350025589891,7.551981252017747,1.5135233521499232,1.3616671882328923,180.79757655898138,139.80945975209661,62.05453680993414,1.2931712695232704,2.9135271303811905,2.2530094806817558,3.1395921262418622,3.2201944036352645,5.261228038604414,0.6338231110100169,3.224442390516313,3.2283296920754876,2.5926768911684817,8.023664814510612,4.911344299494576,2.248925578223487,1.472387121475053,6.656961858131523,1.2811840982099238,0.0066838722963331425,3.96215598587167E-24,4.530132448623586E-67,9.990014880796824E-132,4.2491031628307606E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2905101571175115,3.355246397460553,0.2038601810313335,3.160628999876534,0.3160161176939924,0.027887081086056423,0.16667710644957506,0.32112902366665447,0.009023484360204842,4.7075059091798985E-5,2.790578857530843E-26,3.1906093243227646E-69,7.036049164186808E-134,2.9926781004949072E-220,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8183531198523746,3.1190193005981133,0.5758605193881972,3.322457464828988,0.687163829586118,0.1790606766026899,0.39721218782722434,1.1931679191958098,0.09403166417533107,4.905584107978831E-4,2.9079983243079734E-25,3.324860913216263E-68,7.332105711324666E-133,3.118601317410064E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.2665686545142867,3.3548696080854423,2.617431210210977,8.137299549424876,4.628184520143828,2.045346433637492,1.4105895523993717,6.120066073825188,1.1415119656528163,0.0059552098826541255,3.530209650568121E-24,4.036266453291713E-67,8.900923403132858E-132,3.785874419172986E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.139201109395468,3.029258368398788,0.8118297063447844,3.6068553950266242,1.0786762446139941,0.36259944736107697,0.5583265036664107,1.9168700579362277,0.20424933972268078,0.0010655584199191204,6.316560946406312E-25,7.222042193457083E-68,1.5926313369557217E-132,6.774018789591803E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.074611355723916,3.3085451608004726,3.3865675408427016,10.191488452442762,6.878376059452134,3.279679389774633,1.837891452812006,8.814047031077722,1.8684865995420707,0.009747799583370634,5.778432135742333E-24,6.606772427344681E-67,1.4569497826330704E-131,6.196917625590147E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.029533970678334,3.5408842057878496,2.192905703304219,8.410368848783634,3.1645118300921764,0.9656501261569791,1.1051559469091206,3.5033291257891195,0.43900180878636763,0.0022902501146269427,1.3576453586330058E-24,1.5522643012535315E-67,3.4231103934199717E-132,1.455968722064556E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6134625917022034,0.8136137631817435,0.5343177875976437,0.6597330378403136,0.20538571369524475,0.5305157166601666,0.39815538757063673,0.4038490474245676,3.9613941424815904,3.9574969900393295,9.055037297550555,0.4895995567604703,1.332520151655371,1.7624605386606191,0.7495401153497873,0.1422944873040104,0.6640032267805164,0.2823876304044366,0.25092665262985325,0.3316906775716036,0.02955827416388225,2.6542951413144165,1.6784787206168783,4.520749842243761,0.49600484017077445,0.612175604365339,2.216960505109256,0.6501930714737445,0.3138223274318126,0.696943507906224,0.204400501950711,0.3824451558421703,0.2628141735568381,0.14596762019815365,3.1809759040148133,2.341229168660694,5.974565007220793,0.545415261859336,0.7912269495971621,2.539335225832605,0.851564181230103,0.513116461871363,0.6504418299216416,0.21812518437908116,0.5008249821341152,0.4367409399020616,0.3724321805020677,3.904015868934071,3.9023332287686205,8.915915686878893,0.47566274488246246,1.3099981025382443,2.408582852829841,0.634842032668882,0.3928659870988011,0.7009251958374441,0.18474630239581522,0.4506387348238052,0.25176667691294924,0.22988769578364535,3.436290872597524,2.7247277559444223,6.76173807970191,0.5513877937561661,0.9322931075203997,2.6440005943070477,0.847317398133689,0.5570855511072768,0.653097095155156,0.20929667436045707,0.5430025065642666,0.42988221134409227,0.43573031790067596,4.048403543548013,4.185270512141774,9.481717107751846,0.47964564273273397,1.4086150358090348,2.5533854888413834,0.8492589575150005,0.5141366474464999,0.6519091641045092,0.21682573959997273,0.5063693707319512,0.43412598570861805,0.37343263083168843,3.916781093802884,3.9179097064894854,8.949588664469601,0.4778637461567638,1.3139279872722578 +UMLCN0035,L,oleyl alcohol,CCCCCCCCC=CCCCCCCCCO,Alcohols,Olefins,C18H36O,NREL (2014),Other Ignition Delay Method,PubChem,,51,0,-2.8744000000000014,8.262175360000008,67.3369,56.48654799999996,0,0,55,19,36,0,18,0,1,0,0,0.0,0.0,0.0,0.0,0.0,2889.300482999997,3084.529118000002,3350.0008690000036,3205.0634039999986,3007.290610999998,2810.533881999998,2613.7771529999977,2417.0204239999975,2220.2636949999965,8958.709807965797,11600.312035408051,15375.15127152703,15953.623892549374,14915.741803163313,13908.943458208185,12902.145113253055,11895.346768297923,10888.548423342792,390.9457079999998,396.81094400000023,740.3205400000011,1020.077304000003,950.4739400000029,887.5890400000028,824.7041400000022,761.8192400000017,698.9343400000012,66.84946857456401,88.25945883599995,128.5282327192818,142.181962007185,132.71582024293977,123.69429138354363,114.67276252414767,105.65123366475173,96.62970480535577,9124.785168295466,7853.320828592653,15987.02746473517,23938.872562933204,22274.99975587038,20796.0446008318,19317.089445793223,17838.134290754642,16359.17913571606,117.75,112.25,181.75,221.5,208.25,196.0,183.75,171.5,159.5,52.532736054545396,57.12090959259263,32.52428028155343,22.103885544827577,22.276226748148133,22.305824460317442,22.339975666666646,22.379818740740717,22.426906010100975,162.8856328721054,214.82059324829723,149.2733133157964,110.02499236240948,110.48697631972824,110.3884401445094,110.27474455771842,110.14209970646225,109.98533760952316,7.108103781818178,7.348350814814819,7.187578058252438,7.035015889655193,7.040547703703726,7.0443574603174826,7.0487533333333525,7.053881851851868,7.05994282828284,1.215444883173891,1.634434422888888,1.2478469196046775,0.9805652552219656,0.983080149947702,0.9817007252662193,0.9801090814029716,0.978252163562516,0.976057624296523,165.9051848780994,145.43186719616025,155.213858880924,165.0956728478152,164.99999819163244,165.0479730224746,165.10332859652328,165.16791009958,165.2442336941016,2.140909090909091,2.0787037037037037,1.7645631067961165,1.5275862068965518,1.5425925925925925,1.5555555555555556,1.5705128205128205,1.587962962962963,1.6111111111111112,0.29154597186054737,-0.10038061265174147,-0.06530913120131579,0.015030260300151975,0.0018195260326669717,3.576875505169868E-4,6.108114207496133E-4,3.823715093080743E-4,-0.006274795205740696,1578.67875163636,-66.27682138842951,-746.1957837190084,18.644815413223313,3.2589863471076654,2.8775116694219918,2.4960369917358634,2.1145623140501897,1.7330876363642886,2718.30438938054,-68.7628359802771,-1286.390953630471,27.908247123642155,2.0858431717365633,2.035008541100318,1.9841739104642997,1.9333392798280542,1.8825046491918087,1.2874673454545484,-0.07040081190083151,-0.2413601560330615,0.003428052892564387,-0.004470320661155164,-0.00750933685950256,-0.010548353057849975,-0.013587369256197385,-0.016626385454544784,12.116048766631204,-0.16503970261693257,-5.478214366710294,0.10187365287300432,-0.00766020503439474,-0.007778257605435213,-0.007896310176476573,-0.008014362747517045,-0.008132415318557518,66.22972714327473,-0.6719040592582576,-29.320542979427636,0.5126371544961692,-0.0742637212051287,-0.07616303902902022,-0.07806235685290819,-0.07996167467679971,-0.08186099250069478,27.38181818181817,-1.5521487603305788,-4.078677685950401,-0.42933884297519803,-0.628099173553712,-0.7474380165289198,-0.8667768595041281,-0.9861157024793368,-0.8554545454545472,0.0053008358520099524,-0.0018589002342915089,-6.340692349642309E-4,1.03656967587255E-4,1.347797061234794E-5,2.838790083468149E-6,5.220610433757378E-6,3.540476938037725E-6,-6.338176975495652E-5,28.703250029752,-1.2273485442301761,-7.244619259407849,0.1285849338842987,0.02414063960820493,0.02283739420176184,0.021333649502015925,0.019579280685649906,0.0175059357208514,49.423716170555274,-1.273385851486613,-12.489232559519134,0.19247066981822175,0.01545069016101158,0.01615086143730411,0.01695875137148974,0.01790128962803754,0.019015198476684935,0.0234084971900827,-0.0013037187389042873,-0.0023433024857578786,2.3641744086650943E-5,-3.3113486378927144E-5,-5.9597911583353655E-5,-9.015686374230748E-5,-1.2580897459442023E-4,-1.6794328741964428E-4,0.22029179575693097,-0.003056290789202455,-0.0531865472496145,7.02576916365547E-4,-5.674225951403511E-5,-6.173220321773978E-5,-6.748983056817584E-5,-7.420706247700968E-5,-8.214560927835877E-5,1.2041768571504496,-0.012442667764041807,-0.28466546581968577,0.0035354286516977185,-5.501016385565089E-4,-6.044685637223827E-4,-6.671996312214375E-4,-7.403858766370343E-4,-8.268787121282302E-4,0.49785123966942124,-0.028743495561677386,-0.03959881248495535,-0.0029609575377599865,-0.004652586470768237,-0.005932047750229523,-0.007408349226531009,-0.009130700948882749,-0.008640955004591387,-0.35068058815416014,-0.1196168401864032,0.019554834460295673,0.0025426123329658303,5.355363121443851E-4,9.848655154597638E-4,6.679091820387645E-4,-0.011956938778046418,-0.042759915443651264,-0.252397176344091,0.004479803985646767,8.410420277558203E-4,7.956379217715771E-4,7.432485687126996E-4,6.821276568108227E-4,6.098938518357969E-4,-0.025764672310198453,-0.2526971568956956,0.003894297813503718,3.126169247915943E-4,3.267836311937661E-4,3.431298308886191E-4,3.6220039719923837E-4,3.8473833920269737E-4,-0.055694251891429576,-0.10010478104295596,0.0010099641978156147,-0.0014145925776455261,-0.002545994776999313,-0.0038514588531767665,-0.005374500275383794,-0.007174458319810275,-0.01387382938479812,-0.24143680461119085,0.0031893013262317194,-2.575777246677143E-4,-2.80229243243606E-4,-3.063656108312079E-4,-3.368580396833727E-4,-3.728945465086584E-4,-0.010332923847653072,-0.23639838627468301,0.002935971265935069,-4.568279445747389E-4,-5.01976566094112E-4,-5.540711293856711E-4,-6.148481198925173E-4,-6.866754723097291E-4,-0.057735108946928376,-0.07953944738843957,-0.005947474469936231,-0.009345334710540455,-0.01191530175593912,-0.01488064834678374,-0.01834021936943581,-0.017356499926221087,1.371784089731946,0.9375267308057504,0.6723943738317653,0.7211362369847689,0.7562573393377268,0.7938935867844166,0.8389115463733144,0.9070163237149107,1.4182570505108925,1.404052721169424,0.9402421120210847,0.9485391274493621,0.9505591918116705,0.9528900353066418,0.9556093527174419,0.9588230914756598,1.471019109618857,1.4522663916198033,0.9699239992546742,0.9755149736815986,0.9742068492230463,0.9726974748477938,0.9709365380766658,0.9688554309835148,1.0805586680793313,0.9458323855582407,0.6581469260976935,0.6921620211543138,0.7258130272023745,0.7646411111039829,0.8099405423225259,0.8634762337626224,1.4854906742246725,1.4542035321697737,0.9711165653219893,0.9765988157769645,0.9751569705404126,0.9734933029597757,0.9715523574490328,0.9692585127545182,1.486502527533499,1.4501087738042582,0.9685957002868515,0.9743077731951728,0.9731485890563745,0.9718110688962226,0.9702506287093786,0.9684064721249266,1.0682270916334669,0.8998955633775582,0.6426363511471359,0.6829349269588317,0.7238901536710306,0.7711461844927985,0.8262782204515278,0.8864541832669327,239.4558738954583,119.85293694772912,189.31419340918154,239.67955810598454,12.614713584525504,119.85293694772912,0.24999999999995737,1.6107310164115152E-4,8.477531665323765E-6,-16.59393927227844,180.3522444120922,9.492223390110116,9.870332518857076,239.46003810715516,119.85465184312689,189.31614186328287,239.6830652042434,12.614898168644391,119.85465184312689,0.24926557909861913,1.870910339780152E-4,9.846896525158694E-6,-16.30943896901101,180.34346423318573,9.491761275430827,9.870240017951046,243.197323187165,121.39916435455339,191.07712076907524,242.84032812784972,12.781069901465775,121.39916435455339,-0.39899447805822774,0.023683483615773215,0.0012464991376722745,-7.11165699850399,173.67106583501206,9.140582412369056,9.79860985934948,239.46440864550175,119.85645172286036,189.31818689165837,239.68674609832925,12.615091899912066,119.85645172286036,0.24849480021894976,2.143984079573391E-4,1.1284126734596795E-5,-16.050581653297886,180.33425266984096,9.49127645630742,9.870142967484446,247.2624625518739,123.09008414376727,193.02016428333144,246.29409399957026,12.96284705260896,123.09008414376727,-1.0822942643393532,0.04969294024529297,0.0026154179076469984,-5.703595566360534,168.60307932840766,8.873846280442509,9.742339888064775,239.89258599196623,120.03286008892226,189.5187003044628,240.04749552669946,12.634078711931549,120.03286008892226,0.17313418587829688,0.0028912872718122595,1.521730143059084E-4,-11.107501561187663,179.4496491377396,9.444718375670506,9.860799858527082,248.11654176960386,124.2641866889754,195.6232767033374,248.53320843627043,13.080695180856337,124.2641866889754,0.5277777777776578,0.004388935015210926,2.309965797479435E-4,-10.314470481876064,188.63428331254883,9.928120174344675,9.95563925000767,0,11.996163381923397,15.997945681813368,-0.4217335778112101,0.06985058725447615,3.9463224316483,7.7927100944452965,18.0,54.0,53.0,53.0,17.0,1.0,1.0,0.0,0.0,1.0,39.35545199999999,3.5791493290763055,3.491040010485321,3.4115640066607686,3.2545786401185137,3.1082857177415804,2.8938728040243262,2.7033985755569114,2.458556585703539,1.9476320849772064,1.9077006095832567,1.8203550273592861,1.7250571832191752,1.5920879082394646,1.4606056983748712,1.3096090902444744,1.1699579844958001,3.6027709905902667,3.5162957033965525,3.433270096514081,3.2747770934220775,3.1264102472256448,2.9101524556116165,2.7224615927170492,2.476779126666343,1.892791368992096,1.8489663150546567,1.7636216006130225,1.662173553900057,1.528977234293872,1.3885504145089422,1.2338756923286023,1.082003665156168,3.710632612364126,3.6448820876684933,3.5620970039660307,3.429354555338841,3.2886977825173136,3.106535433731092,2.933213524074017,2.729875747524498,1.7317781120688311,1.666981895507217,1.5808844143964267,1.4480129545543248,1.304709573243893,1.1234231617593031,0.9505370274452163,0.7505097035007513,3.620476394028329,3.536792783560054,3.4525998423465474,3.296561042286964,3.147920345123457,2.9351144882855693,2.748853532816839,2.5081992864277063,1.8581120795555062,1.8116822922295364,1.7280516885801214,1.622555269792718,1.4894856502811706,1.34287955061319,1.1857314390564853,1.0254248055425637,3.7636244284104357,3.704751878874825,3.620276163323672,3.4962370092288033,3.357021403804324,3.1868211407629503,3.0191333436239347,2.8313791986323325,1.6827147705582415,1.6106210361529867,1.5258545491759785,1.3838851981231437,1.2390120184905447,1.0452618628739634,0.8672201519266968,0.6508932529013937,4.439738116040945,3.7127509714022664,3.5416567596429287,3.4739870213224644,3.3077274071508445,3.155894948635473,2.9430323576214366,2.7463306248635533,1.8055343211199668,1.7749990323288347,1.637261307462805,1.5480267584817347,1.359719869824205,1.2245300867328137,1.024286565356587,0.8722390316045747,0,0,0,2,0,2,14,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.020815280171313,9.414213562373096,6.303300858899108,4.207106781186548,2.7980970388562802,1.8535533905932737,1.2222718241315031,0.801776695296637,0.737937646324806,0.5230118645762831,0.3707824034646534,0.26294417382415924,0.1865398025904187,0.13239667075666242,0.09402090954857717,0.06681472460805309,13.208515851677427,8.673164461464443,5.661448884256649,3.6699155640655556,2.3593199213372924,1.5016244486994446,0.9439577002731303,0.5841455576830556,0.6951850448251278,0.48184247008135794,0.3330264049562735,0.22936972275409723,0.1572879947558195,0.10725888919281747,0.07261213079024079,0.04867879647358797,28.467699572562537,53.31172614712316,50.407843137254844,51.08000000000004,32.854220359281484,422.66311257485035,0.5175945376829553,0.9693041117658756,0.9165062388591789,0.9287272727272735,0.5973494610778451,7.684783864997279,5.942390000000008,86.26780000000008,125.01620054396592,198.3369898780148,250.03240108793187,13.159600057259572,125.01620054396592,7.771561172376096E-16,4.0902953538821554E-17,-66.1026917991814,2000090.626599441,105267.92771576006,27.566535796514916,486,1.0,0.0,1.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,16.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,15.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.610902871789456,0.0,8.6609673246524,4.755304771587239,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.610902871789456,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4939306159408974,0.0,0.0,4.1951665122696475,0.5998456790123456,0.0,0.4939306159408974,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.27319340848912,0.0,18.810534495271238,0.0,4.755304771587239,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.6609673246524,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.610902871789456,0.0,8.6609673246524,2.3747677311665405,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.610902871789456,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2463144815241677,0.0,0.0,0.2083565028555795,0.2972222222222222,0.0,0.2463144815241677,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.27319340848912,0.0,0.3622839506172839,0.0,2.3747677311665405,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.6609673246524,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.610902871789456,0.0,8.6609673246524,2.3805370404206982,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.610902871789456,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2476161344167297,0.0,0.0,0.45558641975308645,0.3026234567901235,0.0,0.2476161344167297,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.27319340848912,0.0,1.427078904478458,0.0,2.3805370404206982,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.6609673246524,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,34.5,1.8157894736842106,0.610902871789456,8.6609673246524,0.2083565028555795,0.3622839506172839,11.380182515232462,1.137716049382716,2.6609673246523995,7.378931009457517,1.137716049382716,2.6609673246523995,7.378931009457517,9.33333,0.49123,0.0,0.00877,0.45212,0.74035,0.42881,0.44678,0.71833,0.02331,0.00534,-0.01797,0.02202,0.66351,0.05078,0.0,0.08929,0.0,0.0,10.25,0.53947,9.25,0.48684,1.0,0.05263,-8.25,-0.43421,0.0,0.0,22.97261,1.20908,25.65601,2.68341,0.14123,8.53306,0.44911,9.41421,0.88115,0.04638,-2.1E-4,-1.0E-5,-2.1E-4,-1.0E-5,0.0,18.01,1,1,1,1,1,1,0.8888888888888888,1.0327060757449347,1.8634586962976993,2.9305599404433647,3.717545622536896,4.0129756239093854,3.862022935173073,56.79883416597141,102.49022829637346,161.18079672438506,204.46500923952928,220.7136593150162,212.41126143451902,0.1786268502423517,0.32232187385579997,0.5068980457292324,0.6430227155456584,0.6941231514312465,0.6680129115886745,4.748653637779725,3.917901017226961,2.8507997730812953,2.063814090987764,1.7683840896152745,1.9193367783515871,0.1786268502423517,0.32232187385579997,0.5068980457292324,0.6430227155456584,0.6941231514312465,0.6680129115886745,8.413202623870045,14.854286698180877,19.331226617741024,21.972077654799804,22.098990419465938,20.767669046795408,72.20544263372732,55.82330878175502,44.15872550051272,34.47316644690942,33.28208906903203,37.694264433141186,19.0,18.0,18.0,19,2,18,3.33,2.6605000000000003,0.0,2.368665391348515,0.0,0.0,29.494413321441016,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.407,0.399,0.549,0.341,9.546000000000001,17.0,16.0,15.0,14.0,13.0,12.0,11.0,10.0,9.0,154.0,2.995732273553991,2.995732273553991,2.995732273553991,2.995732273553991,2.995732273553991,2.995732273553991,2.995732273553991,2.995732273553991,2.995732273553991,2.9444389791664403,5.342334251964811,1.3506493506493507,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,0.8333333333333334,17.0,0.9444444444444444,2,9.0,18.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.027777777777777776,0.013071895424836607,0.0078125,0.005333333333333334,0.003968253968253968,0.0031397174254317113,0.0026041666666666665,0.0022446689113355773,0.0020000000000000005,0.0018365472910927456,0.08404039686301618,125.01620054396592,198.3369898780148,250.03240108793187,13.159600057259572,125.01620054396592,7.771561172376096E-16,4.0902953538821554E-17,-66.1026917991814,2000090.626599441,105267.92771576006,27.566535796514916,20.23,326.03794996616244,5.247927513443585,4.2626798770413155,4.919980925828125,5.58724865840025,6.255750041753367,6.928537818164665,7.601402334583733,8.27664912542186,8.951699168308815,9.62832676063802,99.41227471014015,3.6109179126442243,0.0,4.653960350157523,0.0,5.820082930352362,0.0,7.0431599159883405,0.0,8.298290634359283,8.640472207576408,268.27661577200035,4.8777566504000065,36.82842843374334,1.9383383386180706,2.4142104021744073,2.4142104021744073,0.0,1140.0,16.0,8.301,70.0,1.228983863406214,2.137902261649057,2.8750142559123133,3.6287410690751085,4.9761599667828795,5.99653632499616,7.323044760802065,8.43132999659947,9.738776785839152,10.890118858712455,82.36098024768128,77.96281387208937,78.11155836259823,105.17511436393548,132.72103377206525,160.11909215590507,188.12279289323706,215.9986838635205,244.4185862968758,273.94216463492,291.8043588335825,342.0306070361939,351.4664056169081,476.87932925147396,609.4772495673367,740.8598993074908,875.1689286725757,1007.8102045710268,1141.4629356270723,1290.0517359701985,9.067027358165928,15.418818799018018,20.294109757462465,25.79831260733287,35.222219346432674,42.531199743345404,51.864593554168124,59.79783589125345,69.05979300572601,77.07051904094602,2.1586041026319562,2.804564472884859,3.0151825094149536,4.04968730012577,5.247075043649949,6.377179647912281,7.580716977959763,8.730980778574978,9.9187650508685,11.238545465316681,176.2816930192975,328.2762481061779,470.64311807595095,583.3993521853572,811.3547170729175,974.4467235079709,1197.5573258841034,1377.699655639116,1597.3452684448505,1777.425344539586,2.633764087772565,3.869570760448241,4.536780836504009,6.0411602845695045,8.063474066887611,9.902166292121244,12.034928694392281,14.111787888467752,16.597684520247505,17.919455186210268,0.45357988669571764,0.5995889127842177,0.6509885496040564,0.8733690579647975,1.1356939723308588,1.3818805825358098,1.6469881545758245,1.9002920990720364,2.164605555642522,2.4448869050956015,699.0332288062335,919.6397687256175,25.749474708750576,128.65626949567684,-169.25865187576315,-22.342131724573864,570.3769593105567,1088.8984206013806,48.09160643332444,0.8445597415943681,1.1110927112309057,0.03111006574515958,0.155440258405632,-0.2044953478605378,-0.02699337344549017,578.5824624469959,761.1761787949911,21.31256980322349,106.48744315227212,-140.09360865430807,-18.492347798107733,0.15941429894507914,0.30078238453077255,3.858068472743733,12.609064886108435,761.5670887248668,66.12240957704337,0.9201120592774219,0.07988794072257804,1176.9910057002494,34.30730251273407,10.558228288637801,1543.502668858287,39.28743652693934,11.556752032031284,2000.766345959036,44.72992673768912,12.600819519130692,5.882485666153363,5.882485666153363,12923.005439874725,12863.178499595655,111.41902029424455,1.0046510230951822,115.98563158917199,115.44867712555282,7.8723975098243395,12.088509414729344,23.23409338493758,0.9219982040654083,14.832358450688847,16.027343308472105,8.91132071849725,74.72700369330056,38.80275552752284,0.800313156332705,16.092427831080098,11.531427467618801,57.75414654494265,0.3631720978095017,1.4745057415134464,46.0930629081601,2.368237092963001,63.00743556483835,0.0016973039505667593,2.4517626646931325,31.963624077554048,0.180376467396462,57.73153290687739,2.6081207628556733E-6,0.781975598814572,20.399949544629887,0.4594429577686197,57.1003358936648,6.054878906073121E-6,1.9679050154001694,12.727621637759814,1.2674352637645658,41.594900851615016,1.1459278450933321E-5,1.2705998888707692,16.18540781667298,0.7852961489398156,16.880254720468322,0.27891852499738573,0.07376618363291497,2.395157801033555,0.08931004832162885,15.478985954719292,0.0025594644115919645,0.10137328862019333,3.5032321908369064,0.02701114209582178,13.39323050209172,1.2003755433594037E-5,0.17609984535192355,1.2371660299297447,0.013477997841589885,10.127354654424261,8.264388251241038E-8,0.3241385494056616,0.393301097163357,0.03836417365029561,7.197301276504618,5.008128986896984E-7,0.5256148289772072,0.12804234563317918,0.05924951947369695,4.891221902763135,9.550566855805594E-7,3.946721957785653,15.86595559348797,2.275462281821366,20.76817083605658,2.862359737143711,0.21969716066326686,5.010150015247095,0.867134470544892,20.621883357030313,0.026658922762774886,0.25372654055633054,11.231303929149588,0.2003583239089685,20.639441385162026,1.2469966348289008E-4,0.3589027321962338,4.8930992722254105,0.044601652408948776,17.08348233090425,3.5655407305742794E-7,0.323672185698908,2.132901121411925,0.12396093897859593,14.173584370107825,1.6215149007126394E-6,0.5139440493393796,1.0308752141521522,0.22225587734062152,9.86950550082283,3.0874154288250486E-6,14.289680433361383,16.197423144652106,8.899602561307788,68.66464276097894,34.57643391350114,0.7561425040191595,15.772210565107605,10.279866918243252,54.7488233131604,0.3235809120599314,1.352472102226498,43.335061871790955,2.117170356288925,59.810508388675615,0.0015123013406756602,2.230650441419278,29.17449072400009,0.1691177033280499,54.584974895617,2.36804522550193E-6,0.7955639392742425,18.345870006198783,0.43354139080587617,53.31080539116124,5.710265482211452E-6,1.8881931839060395,11.366119916470884,1.1639038393692456,38.59259210217974,1.0812051258063208E-5,5.72997695855827,15.745432833093984,3.2101804194215666,25.77900290540763,6.203579983177547,0.320637839479408,6.711586638650175,1.863616461099454,25.043303378967057,0.05790277189575449,0.3966734066839059,16.77467449370347,0.40978202597541347,26.307068537149036,2.7074253597573095E-4,0.5689405418418554,8.175127662203593,0.06684116920549721,22.540280821730924,6.163189076701804E-7,0.34856571664935715,4.02311739704782,0.1828257614211736,19.831781359925994,2.394701548469099E-6,0.6011818407871831,2.1461354069381753,0.35898039863974585,14.007628135089742,4.554709650928141E-6,18.146469350660638,16.14263504892906,11.182088496840654,101.15226765935508,56.57181955054322,0.9675678926144528,19.65543957070728,16.791105570409645,73.1935779653831,0.5296471103805369,1.9952412985264871,57.44812696754295,3.4201534710330774,79.12086870333636,0.002475196879371778,3.426604633256242,43.41006065992749,0.22324530178034493,73.18056643940702,3.5940551230224917E-6,0.9825786761851211,28.946909450747953,0.5554918302798125,73.91823579715104,7.336057278687881E-6,2.6752647939039202,18.44014249091894,1.684378891434076,54.20898615162664,1.3860399905254749E-5,10.969328871569164,16.71458661268059,8.492819659850621,41.240778560599615,15.500621938276065,0.4868656254437297,14.10210524716231,4.62079091567024,40.29872921800169,0.1448712627600036,0.76347968170313,28.490459119763536,0.9714730386901329,44.414760482752136,6.771740566652646E-4,1.2214217717646698,15.880960021236476,0.10362007499992294,39.739661514020305,1.3536844790603509E-6,1.0873427443865844,8.91274679520564,0.3655209060804322,33.84633575518978,3.6038558123783346E-6,1.6724930214464946,5.176599240065993,0.6361209684634878,23.404010638103827,6.839292558176388E-6,48.20835090537585,0.8450033048022221,0.46441810505500647,0.9735565363982578,0.017064647000331133,0.5739785118491715,0.7099759553417991,0.5930064648613012,49.517772315233074,63.51748164299072,131.9538901230119,0.9603348045973866,1.8769609320522718,48.08105495113098,0.3190833801575811,0.09623834732030345,0.9914360256183619,0.006579530307432735,0.5710299926757628,0.10140772555869275,0.025613551448289133,48.49637667860886,19.999814858426554,69.97266732096776,0.9871540384275428,0.6980512696827447,46.49551470058197,0.5308397534966307,0.24339435956807898,0.9836209387082423,0.01123001003431138,0.5339346339583512,0.280625975178212,0.16360054606136398,47.26974881364668,36.12761698752784,89.40474447058637,0.9754314080623634,0.9781611551979271,48.697512607153485,0.8272242417944901,0.4523058738309021,0.9743976424791098,0.016552084651808584,0.5856931596715267,0.6806836022063402,0.5627582819655395,49.977042722778876,62.68409232043905,130.88171764267872,0.9615964637186646,1.8291350438434062,46.25219995386155,0.6270868911069694,0.3106551915392069,0.9801283484959421,0.013288570912459139,0.5283467057190567,0.39124021873359205,0.2661615784459305,47.18994203650772,43.56744210997007,99.76767338456682,0.9701925227439131,1.1857485028985792,48.60286719924501,0.8841359145943881,0.49204408155910745,0.9724648613093169,0.017690131449240375,0.5834113248186494,0.7772071377795299,0.665271247183073,49.97904719539851,67.32132743937588,138.4442667852865,0.9586972919639752,2.0258897097812523,48.72312295186061,0.8292825189004992,0.4538803626972811,0.9743399682617653,0.01658356554738644,0.5863085334521261,0.6840497921618299,0.5666567257716018,50.00628583345839,62.896097897809476,131.24152605315962,0.961509952392648,1.8370150513855579 +UMLCN0036,L,pentan-1-ol,CCCCCO,Alcohols,,C5H12O,NREL (2014),CFR,PubChem,,18.2,0,-1.2614,1.5911299600000002,21.9103,17.603516,0,0,18,6,12,0,5,0,1,0,0,0.0,0.0,0.0,0.0,0.0,989.4813740000002,918.5254329999999,882.2503679999998,702.7667270000002,506.0099980000002,309.2532690000003,68.61657600000001,3.0481920000000002,0.0,2706.980218882171,3340.9135197743126,4020.152774260594,3541.778084631285,2534.9797396761583,1528.1813947210292,609.447463694361,93.25123329279079,0.0,131.67586399999996,127.96106800000001,226.74439200000015,278.07338000000016,215.18848000000014,152.30358,89.27884799999998,20.155392,0.0,19.92305885818799,25.278695396000003,33.931663885943024,32.46855440897998,23.447025549583977,14.425496690188005,6.2747515067920006,1.3338387145469999,0.0,3038.4348905434886,2530.0530543130503,4954.724373079244,6619.369302452881,5140.414147414284,3661.458992375688,2188.016593995342,554.7529560727469,0.0,61.0,42.75,63.5,68.25,56.0,46.0,28.0,3.0,0.0,54.97118744444445,54.030907823529404,28.459689290322572,18.019659666666673,16.86699993333334,14.726346142857157,5.7180480000000005,1.016064,0.0,150.3877899378984,196.52432469260663,129.68234755679336,90.81482268285346,84.49932465587194,72.7705426057633,50.787288641196746,31.083744430930263,0.0,7.315325777777776,7.5271216470588245,7.314335225806456,7.130086666666671,7.172949333333338,7.252551428571429,7.4399039999999985,6.718464,0.0,1.106836603232666,1.4869820821176472,1.0945698027723556,0.8325270361276919,0.7815675183194659,0.6869284138184765,0.5228959588993334,0.44461290484899996,0.0,168.80193836352714,148.82665025370883,159.82981848642723,169.72741801161234,171.34713824714282,174.355190113128,182.33471616627853,184.91765202424895,0.0,3.388888888888889,2.514705882352941,2.0483870967741935,1.75,1.8666666666666667,2.1904761904761907,2.3333333333333335,1.0,0.0,0.22573249019176414,-0.10051400205652683,-0.03202018892351926,0.014958609017477234,0.002432923728764908,0.010038883732851535,-0.022237834817444797,0.014475364222515141,0.0,557.791235111111,-66.11605249382677,-247.6862594691356,9.014800148148048,8.57301837037027,8.131236592592494,-36.19050918518529,45.3781484814814,0.0,815.625294494212,-79.24525179610043,-391.80800586782425,-21.16471580641821,-22.12162343314169,-23.078531059865167,64.02897524186783,65.57650547437575,0.0,1.0599671111111104,-0.09514138271604818,-0.16029224691357968,-0.007095851851853128,-0.02999762962963029,-0.05289940740740745,-0.21563318518518437,0.03107614814814772,0.0,3.576219349173775,-0.2657232229452342,-1.5997437317765064,-0.22838822429629582,-0.24931666874074046,-0.27024511318518507,0.5796101183703702,0.24569716798670363,0.0,19.767461101823752,-1.3264956297257633,-8.475072045923696,-1.482417454726856,-1.6368337064629737,-1.791249958199086,3.5670904483147994,1.2612477958116983,0.0,23.444444444444454,-2.6697530864197523,-3.265432098765431,-0.6018518518518512,-1.2962962962962958,0.2592592592592595,-4.7407407407407405,0.5925925925925926,0.0,0.012540693899542453,-0.005912588356266284,-0.0010329093201135245,3.8355407737121114E-4,8.109745762549693E-5,4.780420825167398E-4,-0.0018531529014537331,0.004825121407505047,0.0,30.988401950617273,-3.8891795584603983,-7.989879337714052,0.23114872174738585,0.28576727901234233,0.3872017425044045,-3.015875765432108,15.126049493827132,0.0,45.31251636078955,-4.661485399770614,-12.638967931220137,-0.54268502067739,-0.7373874477713896,-1.098977669517389,5.335747936822319,21.85883515812525,0.0,0.05888706172839502,-0.005596551924473422,-0.005170717642373538,-1.8194491927828535E-4,-9.99920987654343E-4,-0.0025190194003527357,-0.017969432098765364,0.010358716049382573,0.0,0.19867885273187638,-0.015630777820307893,-0.05160463650891956,-0.005856108315289636,-0.008310555624691348,-0.012868814913580242,0.048300843197530856,0.08189905599556788,0.0,1.098192283434653,-0.07802915468975079,-0.27338942083624823,-0.038010703967355286,-0.054561123548765786,-0.08529761705709933,0.2972575373595666,0.42041593193723276,0.0,1.3024691358024696,-0.1570442992011619,-0.10533651931501391,-0.015432098765432082,-0.04320987654320986,0.012345679012345692,-0.3950617283950617,0.19753086419753085,0.0,-0.47147218516209893,-0.08236460664678293,0.030584757146907567,0.006466744047429127,0.03811926886551159,-0.14777116133273496,0.3847571311569204,0.0,-0.12550436013635508,-0.2578345069373575,0.007459201094517282,0.009221749461870847,0.012495053572670327,-0.09732272642642784,0.48811970097495877,0.0,-0.10287412340234439,-0.2789288467359774,-0.011976492683752026,-0.016273372281956865,-0.02425329153576585,0.11775439470935058,0.48240170517302006,0.0,-0.09503873618769461,-0.08780736363146212,-0.003089726570455671,-0.016980317209003934,-0.04277712839487928,-0.3051507677806346,0.17590818331470012,0.0,-0.0786735860680761,-0.25973894956279875,-0.029475247288611263,-0.04182909006378608,-0.06477194093196788,0.2431101374574295,0.4122182852852152,0.0,-0.07105236110903146,-0.24894494794773894,-0.03461206615700745,-0.04968266884750188,-0.07767093098699132,0.27067895289691746,0.38282542891519894,0.0,-0.12057429606913847,-0.08087448402384952,-0.011848341232227472,-0.03317535545023694,0.009478672985781998,-0.30331753554502355,0.15165876777251178,0.0,1.3773283672288943,0.8200736388804262,0.6524657769966057,0.844727071841246,1.1430100332419244,2.119468547165551,1.3127747432145245,0.0,1.4094523407908959,1.2999831826908004,0.8441009189756402,0.8513464338895047,0.8648023901581104,1.0098877077570494,0.0,0.0,1.590373361426113,1.4299700252736198,0.8960116023832556,0.8519944734137247,0.7702483767560244,0.41292328875322504,0.0,0.0,1.0439871090339912,0.9072052631213042,0.7016060940191085,0.8867304058910008,1.2305326993673722,2.2769266216226427,0.0,0.0,1.6557110889917843,1.4495195475387996,0.9068405615863219,0.8599485943343432,0.7728635122949541,0.2102026686121779,0.0,0.0,1.661705788403622,1.44208241562231,0.9051660054612812,0.8632797847229441,0.785491089066033,0.19593884064849135,0.0,0.0,1.0770142180094784,0.8947026448555263,0.7018775063798758,0.9003554502369665,1.191266079891672,2.2962085308056865,0.0,0.0,23.143777581248532,11.696888790624264,18.94636409080609,23.310444247915196,3.8850740413192,11.69691110971696,0.24999999999999645,0.03615594112100334,0.0060259901868338905,-1.9919483985109656,18.624849892103153,3.104141648683859,1.7546980228492508,23.146922133401215,11.69809385624996,18.948147320454094,23.313099186133684,3.8855165310222812,11.698116144327606,0.2492655790987044,0.03605281335549754,0.006008802225916256,-1.9936622267530557,18.625297897905032,3.104216316317505,1.7547124551936621,25.949646717203205,12.775326119572593,20.66353900374069,25.68365039849786,4.280608399749643,12.775332995244163,-0.39899447805801813,0.060998398127781295,0.010166399687963549,-1.678144605212363,20.77196882288769,3.461994803814615,1.8201626550365082,23.150222446741317,11.699358623480132,18.9500191913864,23.31588564688728,3.8859809411478805,11.699380879058264,0.24849480021894443,0.035944559482853744,0.005990759913808957,-1.9954665251593122,18.625771486421794,3.1042952477369656,1.754727711298508,28.946771180545127,13.93223845810299,22.804109070482628,28.225241670985696,4.704206945164283,13.932240545355883,-1.0822942643391453,0.16486465544443718,0.027477442574072863,-1.0815782470324915,42.330583363423514,7.055097227237252,2.2473059014568193,23.473327365093787,11.823230775486044,19.134840583977436,23.58875015567932,3.9314583592798873,11.823250090794918,0.1731341858783022,0.025259445562030303,0.004209907593671717,-2.207133066928382,18.689438212188698,3.1149063686981164,1.7567751376877179,23.03691779344361,11.826208810565568,19.487463694983283,23.430195398908914,3.9050325664848184,11.826231576542554,0.6666666666666643,0.06658993197460172,0.011098321995766955,-1.6255211306495347,17.551109644730634,2.925184940788439,1.7190703053198435,0,11.996400566196222,15.997942234108704,-0.4217149817779293,0.0696688734576886,3.866715036416415,6.50213489623679,5.0,17.0,17.0,17.0,5.0,0.0,0.0,0.0,0.0,0.0,13.118483999999997,3.42280585315043,3.001320270423114,2.4033007652677694,1.7893816239462628,1.3339845861122719,1.1084965551881858,0.08392307051869138,0.08392307051869133,1.855568120822006,1.5357922836091378,1.1208232112889638,0.7668253440545937,0.5581394362759856,0.3865738614841889,0.08392307051869095,0.08392307051869105,3.4364352923190937,2.9858423442663606,2.3712077598225356,1.7748688146233178,1.3618747789462677,1.1528063053025779,0.27091390189293757,0.2709139018929374,1.7995990164312583,1.4811273050806528,1.054040968297732,0.6688486118262467,0.4274206007630342,0.3117162771067569,0.2709139018929369,0.27091390189293696,3.5847660648319444,3.208777855235889,2.6906303920873005,2.191631400612265,1.8552137287775212,1.7044962462784916,0.943918426802623,0.943918426802623,1.597519283509289,1.1990383285475676,0.6707394081042186,0.1900120639606493,0.11413257779725472,0.30183416154548576,0.9439184268026218,0.943918426802622,3.4554846012531315,3.0035389501350576,2.3931507109816526,1.812920692626342,1.4241388638924157,1.1887251399561185,0.39927724550898236,0.3992772455089821,1.7648308555112457,1.4476720370776242,1.0114907627463186,0.6051998532551798,0.34389744678942175,0.2289650094529499,0.39927724550898147,0.3992772455089816,3.645520630276803,3.2809946812186475,2.7879733417553934,2.3281420982086876,2.028768126424698,1.8921422264596122,1.2076448229620897,1.2076448229620889,1.538540252009301,1.1244281987277644,0.5680908948634701,0.04732411200972839,0.29498196198034415,0.47511540225381205,1.2076448229620869,1.207644822962088,4.406885282969605,3.4374843548650578,2.9192075479131825,2.2670715049613985,1.7641177821832295,1.5032628435732314,0.6250000000000001,0.6249999999999999,1.688076818195102,1.2479038951659387,0.7459890222591007,0.3447749252316552,0.11558750566811801,0.34430285005419947,0.624999999999999,0.6249999999999992,0,0,0,0,0,2,3,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.82842712474619,2.914213562373095,1.7071067811865475,0.9571067811865475,0.5,0.25,0.0,0.0,0.8047378541243649,0.5828427124746189,0.42677669529663687,0.31903559372884915,0.25,0.25,0.0,0.0,4.275640720246148,2.5233345472033855,1.4307135789365264,0.7616672736016927,0.36180339887498947,0.11180339887498948,0.0,0.0,0.7126067867076914,0.504666909440677,0.3576783947341316,0.25388909120056424,0.18090169943749473,0.11180339887498948,0.0,0.0,8.965765927132102,17.657683903860157,16.70196078431373,16.960000000000004,10.271566467065865,139.58135688622755,0.49809810706289454,0.980982439103342,0.9278867102396516,0.9422222222222225,0.5706425815036592,7.754519827012642,1.1688999999999998,26.61079999999999,12.109311503912984,19.57341311905074,24.21862300782597,4.036437167970995,12.109325540282487,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,18.981177982793387,3.1635296637988977,1.7660687134087372,38,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7086111111111111,0.0,8.19736111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7086111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4913888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.120694444444444,0.0,3.6819444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.19736111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7086111111111111,0.0,8.19736111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7086111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2277777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.120694444444444,0.0,0.355,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.19736111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7086111111111111,0.0,8.19736111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7086111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.120694444444444,0.0,1.195,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.19736111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,2.3333333333333335,0.7086111111111111,8.19736111111111,0.2277777777777778,0.355,2.690837222222222,1.145,2.1973611111111113,4.636111111111111,1.145,2.1973611111111113,4.636111111111111,2.83333,0.47222,0.0,0.02778,0.47593,0.82778,0.42,0.47593,0.75238,0.05593,0.0,-0.05593,0.0754,0.57047,0.14382,0.0,0.29412,0.0,0.0,2.75,0.45833,2.75,0.45833,0.0,0.0,-2.75,-0.45833,0.0,0.0,4.59002,0.765,5.31294,0.72292,0.12049,2.57596,0.42933,2.91421,0.33826,0.05638,-2.1E-4,-4.0E-5,-2.1E-4,-4.0E-5,0.0,5.01,1,1,1,1,1,1,1.0,1.134969974603941,1.7916674843771045,2.93299930663729,3.197159723424149,2.744842531753244,2.7282866415911213,20.429459542870937,32.25001471878788,52.793987519471216,57.548875021634686,49.40716557155839,49.109159548640186,0.2721799490905406,0.42966419869839256,0.7033697981673078,0.7667187592866301,0.6582474578808601,0.6542771490248505,3.034955026838371,2.3782575170652076,1.2369256948050222,0.972765278018163,1.4250824696890683,1.4416383598511908,0.27767101957476337,0.43833242134845685,0.717559870401194,0.7821868595742756,0.671527213422595,0.667476805919182,10.258438165292631,15.106310133741125,19.160270434974077,16.522800394534467,17.74928855308333,13.861006417962946,21.93297422770153,17.39589441047988,14.201671533026193,16.729992366599912,15.599528276385954,10.934833206673552,6.0,5.0,5.333333333333333,6,0,5,1.8999999999999997,0.8718000000000008,0.0,1.8072040072196898,0.0,0.0,3.965406456500188,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.385,0.375,0.449,0.20500000000000002,3.119,4.0,3.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,21.0,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,0.0,0.0,0.0,0.0,3.091042453358316,1.0,0.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.6,5.0,1.0,0,3.0,5.0,0.6666666666666666,0.5,0.22222222222222232,0.125,0.08000000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.05555555555555558,0.041666666666666664,0.04000000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.23722222222222225,12.109311503912984,19.57341311905074,24.21862300782597,4.036437167970995,12.109325540282487,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,18.981177982793387,3.1635296637988977,1.7660687134087372,20.23,103.82660853069451,3.584962500721156,2.9444389791664403,3.4965075614664802,4.07753744390572,4.653960350157523,5.241747015059643,5.82600010738045,6.415096959171596,7.002155954403621,7.591357046698551,58.24880141741002,2.3978952727983707,0.0,3.295836866004329,0.0,4.343805421853684,0.0,5.459585514144159,0.0,6.608000625296087,6.996681488176539,88.088815004,4.893823055777777,10.839150429449553,1.8065250715749255,2.3883252147247767,2.3883252147247767,0.0,35.0,3.0,1.42,18.0,1.2164117647058823,2.110062470427688,2.82016857150187,3.492519605028297,4.812573642571785,5.653722255189199,6.460273514046723,0.0,0.0,0.0,77.15821426811763,67.02812620703422,62.11689876350834,77.54028712006291,84.38132216496186,36.04041237284965,6.5640513477763704,0.0,0.0,0.0,263.9099389200392,291.98708689401474,279.81138356701797,346.6964200173787,376.6552094182052,301.14842506195873,200.80949086453612,0.0,0.0,0.0,9.180431627764705,15.488846563562038,20.186051682845243,25.422650040192494,35.19742155716745,42.686834016438134,43.40311503427642,0.0,0.0,0.0,1.9414475241260003,2.418394539262698,2.4705774624193277,3.0344199220180372,3.4310647929021445,2.9979925230712863,2.87232097319937,0.0,0.0,0.0,178.62008847264224,334.09430754743795,475.7954409674186,587.228743855206,833.9160298041801,1029.8984660249937,1194.6186096519646,0.0,0.0,0.0,3.1266617647058825,4.434832255118861,5.132251777489533,7.279837641154673,11.385878793848438,14.333785823196557,6.460273514046723,0.0,0.0,0.0,0.4253500941176472,0.5410354314703826,0.5643370795444247,0.7123877053332986,0.8548585764242215,0.8156852467971488,0.6615320078383845,0.0,0.0,0.0,327.1601902321615,195.68179883967954,12.878480465596096,185.02985073847154,-110.67047615374013,-23.84531022141622,142.13033949368995,306.35227499341966,36.72379068701232,0.638747660169596,0.38204920671407416,0.0251439493848622,0.36125233983040367,-0.216073073080477,-0.04655559131182602,167.56819123897094,100.22626856490267,6.596229437313164,94.77044683052787,-56.68431571542363,-12.213330419264633,0.3506365758694433,0.6615799607217605,6.135628211710017,25.228160807183535,456.55830101809073,55.63173995254236,0.8913845731027555,0.10861542689724428,346.0061754859044,18.601241235087095,7.020390718357315,470.5945044495243,21.69319027827683,7.778256914879797,503.01124662450695,22.427912221705053,7.95290690012691,2.4106471541574503,2.4106471541574503,437.22527394376704,419.6281290998764,34.2849256850007,1.0419350935354057,12.752697146286904,12.239435282878835,3.628872351640818,3.730373775294655,6.773216465673423,0.8156937812856085,3.7822434973884285,4.176870301479387,3.5971869825765626,14.49194314231793,5.371441006103673,0.09377730774923415,3.627523461559399,4.927093079157079,3.575916043101283,0.31861453417557234,3.4024301813983717,0.4847088634615492,0.011680389121936472,2.2960120865434613E-23,8.705711536310279E-66,6.366639807430834E-130,8.980327867253665E-216,2.0E-323,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.33732253874615375,4.303721763932934,0.32308982657086827,3.311050318284249,0.040041670631531516,0.023741754488316433,0.46356943213026447,0.1883998817490148,1.2995691504910336,0.0207794029856114,0.28934517557530454,0.003539814312564854,0.001305621704512767,2.566665106633264E-24,9.731937457989545E-67,7.117136854930036E-131,1.0038925456217692E-216,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9694691941962614,4.067499105475765,0.7881446068843919,4.051487300775998,0.39991161457552143,0.01899185631507739,0.8957082406208453,0.7564840929159764,1.4706677321381805,0.07100546667626806,0.5501457173621558,0.03571556535618242,0.002261775082299962,4.446204777130415E-24,1.6858524590676418E-66,1.2328935240489535E-130,1.73903164090592E-216,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7930873977818482,4.303403082243771,3.8840200736003996,13.509434187961068,4.787379312872716,0.09136403753854341,4.048375527415364,4.495778573205503,4.03668679376934,0.2966425182213199,3.3244653503823693,0.4322871609647134,0.014670635725579428,2.8838764086665875E-23,1.093469684567114E-65,7.996735927841688E-130,1.1279625151095915E-215,3.0E-323,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3619183988900205,3.9777438564815797,1.0259678490300839,4.976489862628324,0.8632227645681041,0.021829964623380792,1.0808488367851283,1.2649822706770804,1.5115518325467536,0.10862207230263901,0.7949441640972492,0.07731189294253402,0.002239667120680711,4.402573628846062E-24,1.6693089838178545E-66,1.2207949899269302E-130,1.7219663118759793E-216,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.748236974680275,4.257115755313395,4.831173823988573,19.618371958895032,7.826533211082234,0.13105982662808446,4.888017118465878,6.684406339948542,4.700274152260573,0.4042121037404697,4.727266733975522,0.7069036162236072,0.01705930934178204,3.353345926772617E-23,1.2714768572448277E-65,9.298533657816178E-130,1.3115848148723772E-215,3.0E-323,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.635247932416404,4.9580160142392105,4.91667439944488,8.930239239961393,2.1040353048344747,0.09109681013857031,5.739560189510383,2.315112201071135,6.23428346292488,0.1715487883588601,3.196703036336976,0.19159676506885714,0.027373950679980604,5.381278327757677E-23,2.0404011413227217E-65,1.492181204866602E-129,2.1047643438875778E-215,4.9E-323,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.5358023501066755,0.7860130027169454,0.4599503416666667,0.7845012388566787,0.13594687924935692,0.5636411898248609,0.6215922930025425,0.5555417361953231,5.7817656944902875,6.0129704147560625,13.434550894846423,0.6767518582850179,1.7407752190227264,4.874340515472855,0.29458015809138227,0.0946720249483835,0.9260481945820465,0.05596560656652334,0.6512888862846652,0.08735470373666723,0.023536296848873175,5.263592698512621,1.925236186603112,7.324766930952562,0.8890722918730698,0.7621798868702055,4.316427890461616,0.5111019464998035,0.2501654593161749,0.8500761937459981,0.10065628531796442,0.5115878419725269,0.2628183632205992,0.164342349638885,5.077695296277595,3.4138159157669645,9.043409911768114,0.7751142906189973,0.9387485548320111,4.670798288210137,0.7603134630509565,0.4425722475829073,0.7952076225294715,0.1294440530339381,0.5974527644994269,0.5812162947432111,0.5143552231579788,5.873683998844001,5.95493015635109,13.400308064539985,0.6928114337942073,1.693024282400617,4.179067821642743,0.6087112297831458,0.3218261508064558,0.8178846811524582,0.11913077541043775,0.47972284797854886,0.37262381738577227,0.27198030844140736,5.109605202232345,4.084678016091504,10.012959228038007,0.7268270217286874,1.1243269738057284,4.607485666766419,0.8151703109633749,0.4829795573205826,0.7801845609029978,0.13803261412345544,0.5813728157553516,0.6681286992397433,0.6125651683991127,5.905635535050377,6.374917507363021,14.094568970014812,0.6702768413544968,1.8620666833942077,4.6844184432168365,0.761469100267928,0.443783370079086,0.7953616614518596,0.129288904497919,0.600896132412949,0.5828893129060954,0.5171741958759902,5.889670913563851,5.983834224354196,13.45649812471947,0.6930424921777896,1.7009596411950345 +UMLCN0037,L,nonan-1-ol,CCCCCCCCCO,Alcohols,,C9H20O,NREL (2014),CFR,PubChem,,45,0,-2.4134,5.824499560000001,33.5567,29.977859999999968,0,0,30,10,20,0,9,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1574.6663699999979,1592.4386209999993,1657.0845159999978,1489.7936429999959,1293.0369139999964,1096.2801849999971,899.5234560000002,702.7667270000002,506.0099980000002,4649.717781326926,5952.874057735779,7674.341220909922,7568.971464451769,6562.173119496645,5555.374774541525,4548.576429586405,3541.778084631285,2534.9797396761583,215.58564000000013,215.06418800000003,397.662424,529.6129799999997,466.72807999999964,403.84317999999985,340.95828,278.07338000000016,215.18848000000014,34.63556209697999,45.34264987600001,64.68242446533905,68.55466984656404,59.533140987168096,50.51161212777208,41.49008326837606,32.46855440897998,23.447025549583977,5024.953531097481,4262.210860376251,8651.53316894264,12535.189922607267,11056.23476756867,9577.279612530074,8098.324457491478,6619.369302452881,5140.414147414284,78.0,63.75,100.5,117.25,105.0,92.75,80.5,68.25,56.0,52.488878999999926,54.91167658620687,30.128809381818144,19.863915239999944,19.59146839393934,19.232985701754334,18.740072000000005,18.019659666666673,16.86699993333334,154.99059271089754,205.27151923226825,139.53347674381678,100.91961952602358,99.42686544691887,97.46271534283377,94.76200894971676,90.81482268285346,84.49932465587194,7.186188000000004,7.416006482758622,7.23022589090909,7.061506399999995,7.0716375757575705,7.084968070175436,7.1032975,7.130086666666671,7.172949333333338,1.1545187365659997,1.563539650896552,1.1760440811879829,0.9140622646208538,0.9020172876843651,0.8861686338205629,0.8643767347578346,0.8325270361276919,0.7815675183194659,167.49845103658268,146.97278828883623,157.30060307168438,167.13586563476358,167.51870859952533,168.02244934263288,168.7150928644058,169.72741801161234,171.34713824714282,2.6,2.1982758620689653,1.8272727272727274,1.5633333333333332,1.5909090909090908,1.6271929824561404,1.6770833333333333,1.75,1.8666666666666667,0.242705866678527,-0.10049999048024695,-0.04039304594032432,0.015331353562472914,0.001330693629424947,3.3744834770713106E-5,-1.1209738648351383E-4,-3.7278123974431206E-4,0.001101208478550636,880.987351200001,-67.03135856000085,-413.14761620000064,5.585592799999869,5.42655136000003,5.26750992000002,5.108468480000067,4.949427040000057,4.7903856000001035,1416.7305897668537,-75.80236296190381,-681.7395246403637,-12.316066433162042,-12.660553178782472,-13.005039924402787,-13.349526670023103,-13.694013415643475,-14.038500161263961,1.141531199999998,-0.07933455999999715,-0.17995039999999804,0.004903199999997783,-0.0033414400000017393,-0.011586080000001203,-0.019830720000000697,-0.02807536000000019,-0.036319999999999686,6.276760197659992,-0.22169122464398114,-2.827155305668983,-0.12866155680000002,-0.13619579680000138,-0.14373003680000185,-0.15126427680000276,-0.15879851680000368,-0.16633275680000448,34.46942793907662,-1.0286409790804143,-15.014159123216455,-0.8276839721416205,-0.8832738227666144,-0.9388636733916065,-0.9944535240165986,-1.0500433746415925,-1.105633225266585,24.666666666666664,-2.0277777777777772,-3.055555555555556,-0.08333333333333225,-0.33333333333333204,-0.5833333333333317,-0.8333333333333319,-1.0833333333333317,-1.3333333333333321,0.0080901955559509,-0.0034655169131119637,-7.344190170968058E-4,2.0441804749963885E-4,2.0162024688256774E-5,5.920146451002299E-7,-2.335362218406538E-6,-9.558493326777233E-6,3.67069492850212E-5,29.36624504000003,-2.3114261572414088,-7.511774840000012,0.07447457066666492,0.0822204751515156,0.09241245473684245,0.10642642666666806,0.1269083856410271,0.15967952000000346,47.224352992228454,-2.6138745848932348,-12.395264084370249,-0.16421421910882722,-0.19182656331488593,-0.22815859516496118,-0.2781151389588146,-0.3511285491190635,-0.4679500053754654,0.03805103999999993,-0.0027356744827585224,-0.003271825454545419,6.537599999997043E-5,-5.062787878790514E-5,-2.0326456140352988E-4,-4.131400000000145E-4,-7.198810256410305E-4,-0.0012106666666666561,0.20922533992199974,-0.007644524987723488,-0.051402823739436054,-0.0017154874240000002,-0.0020635726787878996,-0.0025215795929824886,-0.0031513391000000577,-0.004071756841025735,-0.005544425226666816,1.1489809313025539,-0.035470378588979806,-0.2729847113312083,-0.011035786295221606,-0.013382936708585065,-0.01647129251564222,-0.020717781750345804,-0.026924189093374167,-0.0368544408422195,0.8222222222222222,-0.06992337164750956,-0.05555555555555556,-0.0011111111111110966,-0.005050505050505031,-0.010233918128654942,-0.01736111111111108,-0.027777777777777735,-0.044444444444444405,-0.4283600920577051,-0.09077889551836478,0.0252673802611947,0.0024921554181006425,7.317680283571911E-5,-2.886657315333642E-4,-0.0011814910110233736,0.0045372140921885,-0.07871030681971747,-0.2557962323670648,0.0025360603837917455,0.0027998293632543877,0.0031468938099156567,0.003624107424074942,0.004321573475538464,0.005437519157880162,-0.0553501407488503,-0.2624761018199676,-0.0034773206768095133,-0.004062026288564592,-0.004831375777715969,-0.005889231325299111,-0.007435327894843737,-0.009909082406115216,-0.07189486759779831,-0.08598517818554828,0.0017181133551138301,-0.0013305254938604891,-0.005341892400405619,-0.01085752189690519,-0.018918826545635332,-0.031816913983603555,-0.0365372807642392,-0.24568163568810206,-0.00819923353757983,-0.00986291947025733,-0.012051979907990812,-0.015061938009874392,-0.019461107543396545,-0.026499778797031973,-0.030871163848444773,-0.23758854815957337,-0.009604847212486613,-0.01164765780178211,-0.014335566471907738,-0.018031440893330475,-0.023433103509256058,-0.03207576369473694,-0.08504193849021432,-0.06756756756756757,-0.0013513513513513336,-0.006142506142506119,-0.012446657183499256,-0.02111486486486483,-0.03378378378378373,-0.05405405405405401,1.3858536907499686,0.8437329337434883,0.6188087436336418,0.702796497943129,0.7897692839733964,0.9065294714283997,1.0775651106072333,1.3454815107081086,1.4420686020855091,1.3710510513317422,0.8991653326399462,0.901015031405244,0.9034488455701093,0.9067953400467992,0.9116863704358074,0.9195120190582207,1.5512182844781197,1.4618457964046763,0.9491327134916006,0.9389149730527712,0.9254705777385216,0.9069845341814288,0.8799664705210621,0.8367375686644758,1.0524951048206141,0.8975853421503277,0.6421627839285816,0.7114730874396851,0.8026708552174527,0.9280677859118833,1.1113402230806662,1.404576122550719,1.5847161368691844,1.4704226427698746,0.9543126173688957,0.943540109893807,0.9293657579529008,0.9098760240341548,0.8813910283067569,0.83581503514292,1.5873589601036386,1.4641719836312768,0.9510740767446761,0.941388672908806,0.9286447204931876,0.9111217859217114,0.8855113430864773,0.8445346345501025,1.0641891891891893,0.8603808353808354,0.6231081081081081,0.6991707616707618,0.7992532005689901,0.9368665540540542,1.137993762993763,1.4597972972972972,67.42619268732479,33.8380963436624,54.129741044377994,67.62619268732479,6.76261926873248,33.83809634366241,0.2500000000000142,0.02003292619204594,0.002003292619204594,-3.910378049507986,49.11875267680277,4.911875267680277,3.894240890128904,67.4298673567315,33.839566467915105,54.13160494802531,67.62927982001048,6.762927982001048,33.83956646791511,0.2492655790987115,0.019975313533876604,0.0019975313533876606,-3.9132580911387618,49.119153755585515,4.911915375558552,3.8942490555875806,70.72924857858325,35.165127050262626,55.847605846230515,70.41005299613684,7.041005299613684,35.165127050262626,-0.3989944780580075,0.03380885092525221,0.003380885092525221,-3.3870326490791007,50.3424443087906,5.03424443087906,3.9188485445234114,67.43372410968189,33.8411094549504,54.13356131782463,67.63251994985701,6.763251994985701,33.841109454950406,0.24849480021891424,0.01991484104138236,0.0019914841041382358,-3.9162900442341453,49.119576698909626,4.911957669890962,3.8942576661085466,74.30991308331863,36.61380940948974,57.81674692910391,73.44407767184731,7.344407767184732,36.61380940948974,-1.0822942643391542,0.09730942358706185,0.009730942358706186,-2.329859443636528,54.76507190203682,5.476507190203682,4.003052616694355,67.81162292316856,33.992378554523434,54.3257921536444,67.95013027187122,6.795013027187121,33.99237855452344,0.1731341858783111,0.013964078842247374,0.0013964078842247374,-4.271267043647626,49.17103725331263,4.9171037253312635,3.895304776448705,68.96304686532103,34.74165009468328,56.17623827097455,69.36304686532101,6.9363046865321,34.74165009468329,0.6666666666666288,0.037715580848833086,0.0037715580848833087,-3.277681984792006,48.376694608859225,4.837669460885922,3.8790181814104785,0,11.996268805592731,15.997943292548689,-0.42172079337877455,0.06972074350609363,3.9407381650642357,7.357073554611708,9.0,29.0,29.0,29.0,9.0,0.0,0.0,0.0,0.0,0.0,21.864139999999995,3.5089957234576445,3.3221899050371344,3.0303725032743136,2.6634138479997764,2.262667828712343,1.8765516730882303,1.5496665575678386,1.3082865848443814,1.9223534090857373,1.7781215278550513,1.5600072078840446,1.3025296207471204,1.048399857326637,0.8336226660726672,0.6743603430744659,0.5687929051174363,3.5329129453116326,3.3371012641879187,3.035110078039908,2.6623074877757413,2.2648797268709,1.8931607470036629,1.5886959427617606,1.370906117646778,1.8645852404031,1.7193266954954658,1.4976275799376857,1.2312793292556996,0.9616852155957749,0.727518315363232,0.5497905280935169,0.429327076769983,3.661953110885347,3.4929055172886154,3.231964742816414,2.910889362741363,2.5726560284713385,2.263497034363248,2.0176665807758933,1.8461454690330976,1.6828379290034632,1.5067242526060658,1.2381970354570508,0.9137729966680624,0.580144499474225,0.2836334955339385,0.054252887655436934,0.10186784167255061,3.553030906793592,3.357325058569796,3.056401958604468,2.68690645988952,2.296430632191776,1.935849356106102,1.6451608830715012,1.4408504662715178,1.828034803072947,1.682738057260175,1.4588451666099906,1.1861985307600045,0.9056857216758015,0.6580265017976837,0.46771412867643686,0.33777478443451797,3.721179808320799,3.5570400026390967,3.305520076727494,2.99971419684615,2.683138957387179,2.4000132352930366,2.179573493372427,2.0279837629747193,1.6269089604186395,1.4445241141243113,1.165065380639887,0.824311573146722,0.46858869367006256,0.14594243706860524,0.10905271177980701,0.2858389884545119,4.49638879854728,3.567789171865744,3.3644224225847896,3.0406896184751617,2.6517704132832973,2.266268816432485,1.9421240198532732,1.7064067236223088,1.7721144392940325,1.5790840421926613,1.2992523943181273,0.9838329755175698,0.6817720850889162,0.42810724435983366,0.23976827856752933,0.1161352837467159,0,0,0,0,0,2,7,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.6568542494923815,4.914213562373096,3.121320343559643,1.9571067811865475,1.2071067811865475,0.7285533905932737,0.42677669529663687,0.23927669529663687,0.7656854249492382,0.5460237291525663,0.39016504294495535,0.27958668302664963,0.20118446353109123,0.14571067811865474,0.10669417382415922,0.07975889843221229,7.10406784499234,4.523334547203386,2.844927141309622,1.7616672736016927,1.068910180061537,0.6308336368008464,0.3576783947341316,0.19041681840042318,0.710406784499234,0.5025927274670429,0.35561589266370275,0.2516667533716704,0.17815169667692285,0.12616672736016926,0.0894195986835329,0.06347227280014106,15.133077142275601,29.20903131828113,27.60392156862746,27.999999999999993,17.465784431137724,231.694377245509,0.5044359047425201,0.9736343772760377,0.9201307189542487,0.9333333333333331,0.5821928143712575,7.723145908183634,2.7293000000000025,45.078800000000015,34.34287175318626,54.77460084771694,68.68574350637252,6.868574350637252,34.342871753186266,1.1657341758564144E-15,1.1657341758564144E-16,-34.385425312513625,49.36979012827422,4.936979012827422,3.899338701264657,122,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6502322688334594,0.0,8.468954790249434,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6502322688334594,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3497677311665406,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2298838655832705,0.0,9.301161344167298,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.468954790249434,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6502322688334594,0.0,8.468954790249434,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6502322688334594,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.21000000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2298838655832705,0.0,0.36882716049382713,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.468954790249434,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6502322688334594,0.0,8.468954790249434,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6502322688334594,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2298838655832705,0.0,1.3769132653061225,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.468954790249434,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.0,2.0,0.6502322688334594,8.468954790249434,0.21000000000000002,0.36882716049382713,5.44646959782061,1.1311728395061729,2.468954790249433,5.397677311665407,1.1311728395061729,2.468954790249433,5.397677311665407,4.83333,0.48333,0.0,0.01667,0.45889,0.77667,0.425,0.45889,0.73333,0.03389,0.0,-0.03389,0.04333,0.62232,0.09197,0.0,0.17241,0.0,0.0,4.75,0.475,4.75,0.475,0.0,0.0,-4.75,-0.475,0.0,0.0,9.95255,0.99526,10.82617,0.87362,0.08736,4.57596,0.4576,4.91421,0.33826,0.03383,-2.1E-4,-2.0E-5,-2.1E-4,-2.0E-5,0.0,9.01,1,1,1,1,1,1,1.0,1.07462769858425,1.5614870219474735,2.5179740327616273,3.124092480429718,3.147860597836286,2.716716186961402,32.2388309575275,46.8446106584242,75.53922098284882,93.72277441289154,94.43581793508858,81.50148560884206,0.2190038024377395,0.3182233211689996,0.5131506365793276,0.6366745741642706,0.6415183987703948,0.5536533032533393,3.8322628970242687,3.345403573661045,2.3889165628468914,1.7827981151788008,1.7590299977722328,2.190174408647117,0.22120870782781435,0.3214271573959643,0.5183169788616071,0.6430845414099192,0.6479771330916089,0.559227421779994,9.26227924388505,13.005840815629476,16.916390904349115,18.296655203489642,17.55120635195185,14.17010968582697,37.246846793936896,31.939795439776283,27.023522400521802,24.217685680088977,26.100703711016553,31.93203254250006,10.0,9.0,9.142857142857142,10,0,9,2.3400000000000003,1.4354000000000011,0.0,2.1252005594420327,0.0,0.0,11.24058362962237,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.385,0.375,0.449,0.20500000000000002,5.114999999999999,8.0,7.0,6.0,5.0,4.0,3.0,2.0,1.0,0.0,55.0,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,4.02535169073515,1.0,0.4444444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.7777777777777778,9.0,1.0,0,5.0,9.0,0.8,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.0,0.0,0.05555555555555555,0.02777777777777779,0.017857142857142856,0.013333333333333336,0.01111111111111111,0.010204081632653062,0.010416666666666666,0.012345679012345675,0.0,0.0,0.15860134794658604,34.34287175318626,54.77460084771694,68.68574350637252,6.868574350637252,34.342871753186266,1.1657341758564144E-15,1.1657341758564144E-16,-34.385425312513625,49.36979012827422,4.936979012827422,3.899338701264657,20.23,173.01054703416122,4.321928094887363,3.5553480614894135,4.174387269895637,4.812184355372417,5.4510384535657,6.09807428216624,6.744059186311348,7.394493107219038,8.043342170441608,8.695004592732307,73.9679314791937,2.9444389791664403,0.0,3.9318256327243257,0.0,5.056245805348308,0.0,6.244166900663736,0.0,7.466799475018602,7.822845290279774,144.15141526,4.805047175333333,18.82909733129015,1.882909733129015,2.412595540645075,2.412595540645075,0.0,165.0,7.0,3.696,34.0,1.2301724137931032,2.132262053952349,2.8478145858617703,3.565078079028084,4.9066918415895655,5.901931622877673,7.21813367073827,8.287026946796773,9.555335711647663,10.550693330439833,79.25338549110342,71.63375872195382,69.43322150059167,91.54337457399733,113.26445617009757,132.94560021656346,149.75687633428612,160.28422722767053,156.90505247709777,64.0233388496921,278.90168135381657,317.5589884558979,317.2829898985638,421.1211797853969,528.7903269705029,624.710219836883,707.3162972938076,755.0425704843763,729.5864147797054,549.6402715668913,9.151019188689652,15.46540327270102,20.177207225540613,25.489468193932847,34.954066891272035,42.23861264181138,51.729223257619196,59.826958243565365,69.69113649722692,79.12179652609598,2.0658477671166198,2.6277244747119393,2.7668945565243646,3.6350228107240268,4.647449171177829,5.503520002561767,6.312034745144215,6.795910835838868,6.733876625127853,5.556526870220065,178.3577891783055,332.13591242015485,472.4824684861238,583.2522430838818,815.593520843329,982.2393779598511,1215.3505381212065,1408.446892921976,1658.887167611576,1922.8901876715136,2.766077586206896,3.9836283866240736,4.596252737898694,6.164046093264434,8.352825383947904,10.493524698321826,13.170936798814447,16.269313454313167,21.995295579567625,25.762730331846445,0.441195227586207,0.5713999535457644,0.6089375258088865,0.8027919102977666,1.035453213333538,1.2380561220440265,1.4421388649079798,1.5935681909597321,1.670953637187919,1.4983228147139382,479.22672460945574,388.5853928719853,20.07893798696214,187.92312667273384,-152.37919393449297,-24.035841787066428,291.30359793672187,540.9645868064782,44.11477977402856,0.7183194655420128,0.5824559386847892,0.030096593663886156,0.2816805344579872,-0.22840324949730065,-0.0360276506707933,319.71603805364924,259.2446870649762,13.3956604919061,125.37288601219846,-101.6597565718969,-16.035508273683607,0.25864361062587277,0.48800792941730103,8.697024186886734,18.60930386266368,595.3911381415257,71.75871314066387,0.8924398873764996,0.10756011262350042,594.3324520705041,24.378934596706724,8.407685954998477,796.4170696884249,28.22086231298443,9.26929818494473,944.241809345986,30.72851785143543,9.810573792496882,3.4528613308205833,3.4528613308205833,1943.3440201376054,1912.961036489049,60.38769683170085,1.015882698637877,32.18112499891595,31.677992982915516,5.147280348715467,6.149075811723035,11.708785656481167,0.9041537322013018,6.013447924876909,7.9709395323192345,4.782517008417374,34.383454198772625,13.270839600834423,0.09383987001865948,6.804775760136564,5.481517723028359,21.036269860844836,0.8216005509973001,2.0378055160252844,17.25465529182986,4.1437639619937325,15.00273425047056,1.354356487989574,1.602928979185137,4.317842402873399,4.3528583871856865,2.79283213867922,1.4554593942255925,1.2588873165823942,2.004326301774175,4.1491694803006177E-4,1.2981380290305787E-27,7.833511510526547E-73,9.117336919151814E-140,2.0467058301457808E-228,0.0,0.0,0.0,0.5245720652607251,8.097622573359436,0.41155755500249375,7.364620715186415,0.09630704716846145,0.023803804787836457,0.9538057006254523,0.19230616179238005,5.615397203049396,0.024322083968685817,0.22464703410717646,1.136356713581346,0.12715742692132573,3.4377402569721314,0.05719987956040375,0.424188030324052,0.2063946483400939,0.11378339434534328,0.9997466599381511,0.08829367440983028,0.604085472512662,0.016795980460919825,4.638271877611139E-5,1.4511620397334908E-28,8.756922829216111E-74,1.0192085082365417E-140,2.287970724828689E-229,0.0,0.0,0.0,1.5739334915718142,7.8614114841362746,1.080983233975888,9.176307117138645,0.9812994854152823,0.019053940825395434,1.9343611227651878,0.7971793770935952,7.449300321684454,0.10792207544503979,0.387856893171689,3.8035682827015926,0.5557993997024976,5.140022085931037,0.22185252288892743,0.5034328899892635,0.7624284663779962,0.5329481622388407,1.289492833174116,0.30732940888464283,0.4717613714825739,0.1501822167603276,8.034825688787051E-5,2.513831499381332E-28,1.516951783673846E-73,1.7655633087763343E-140,3.9634256687095984E-229,0.0,0.0,0.0,5.8991623708521175,8.097453933317636,4.995294710162083,31.66665117329118,11.826034530792848,0.09142654359814151,7.061109176473869,4.989761927980397,20.33140323045575,0.7447940789640737,1.9083092043145524,16.093918217242955,3.759472192754151,14.461219685751525,1.2395246966667903,1.5968369474873367,3.967521711734684,3.9355397738100963,2.8638566149843143,1.3505251938776592,1.4795067254387606,1.7951562998860142,5.211510848767487E-4,1.6305095513539776E-27,9.839181237216486E-73,1.1451713606056834E-139,2.5707384963960234E-228,0.0,0.0,0.0,2.2527875568682396,7.771670949572404,1.4648972008863141,11.478516147736878,2.1245264293831183,0.02189209348983774,2.495990537689805,1.353374367691626,8.934587901518785,0.18880961053519804,0.5641420211884518,5.807715237187723,0.9662142396231802,6.412549519602242,0.36461048928482015,0.6117426693790051,1.2278192990417243,0.953154956507305,1.4645801337158622,0.4755152943491562,0.43025636093371517,0.3203612396015748,7.955979051740014E-5,2.4891629650926606E-28,1.502065751296963E-73,1.7482376212622397E-140,3.924532090507073E-229,0.0,0.0,0.0,7.44273945050573,8.051262200042395,6.298539169335187,46.79946036591521,19.345011171409904,0.13112262525226148,8.674432284486178,7.492977941280863,26.886277584047328,1.1377695812326494,2.7318416407814063,21.986147154476004,5.723789791822644,18.804095643140464,1.819744575503401,1.9880411333431938,5.734878292172162,6.077239185113684,3.3515374419199393,1.868096939665847,1.6461259770044234,2.923175306764793,6.059898664004851E-4,1.895942054291113E-27,1.1440912733041065E-72,1.331595107884611E-139,2.9892319378656635E-228,0.0,0.0,0.0,5.229063006153254,8.773195031660894,5.906835795704845,19.721395774893796,5.492222149946353,0.09643461387399133,8.117363089946107,2.6784225048342662,17.13951209285456,0.3893574168663033,1.3764062867915157,10.400171945518274,1.9757940577436477,12.095926811249036,0.6878085460235674,1.7082421693015633,2.3639520244471757,2.022297825590764,3.636849918830564,0.8112488310180254,3.393941886360523,0.8811727303058339,0.0010288246570585055,3.2188524597390876E-27,1.9423911194468884E-72,2.2607274197488677E-139,5.0749950686267826E-228,0.0,0.0,0.0,12.764600165826542,0.8153917931353283,0.4961958050000001,0.9068222433425278,0.05792703300128677,0.560716148531862,0.6747527969402737,0.5999907665495178,14.076187763961869,17.146485259839423,36.387153499717634,0.8602333650137917,1.8354597120216534,13.387787395461118,0.31498851552414564,0.10401475927296916,0.969652377239288,0.022814028476775213,0.6167737275454995,0.10065572800282212,0.026365033467985046,13.806790670258232,5.642290215601738,19.887711050599737,0.9544785658589321,0.7437944890163066,12.360427145440799,0.5256573542900571,0.26648844852563064,0.9397725596404546,0.03996612346177777,0.525917084575657,0.2805673562856024,0.1730593894435776,13.152572948256486,9.931342097070866,24.815383614768045,0.9096588394606818,0.979543830304837,13.01384440102433,0.7949874068171829,0.48105158833034134,0.9107033304771847,0.055632882702888506,0.5827832622552472,0.6409792717976617,0.5639254518977965,14.289883396171856,16.988602887241345,36.25537020884683,0.8660549957157769,1.7876879859507053,12.11789543649377,0.6202856660051017,0.34029910600575264,0.9265522632066829,0.04742796227972611,0.5055242282021557,0.3905784888514827,0.2822019476124863,13.078480208504624,11.85134848272546,27.487706264601876,0.8898283948100245,1.1783046646661246,12.897317558489274,0.8489553769624925,0.5231564240688337,0.9038425597505867,0.05949469705991201,0.5724048248403008,0.7311105739662804,0.6669626522786526,14.2694293595206,18.140698082857366,38.13829639605698,0.85576383962588,1.9704780510852338,13.053956872689586,0.7967844152705994,0.4826631921363637,0.9107366565156512,0.05558933443739895,0.5863726863298032,0.6437698574079893,0.5677102715888782,14.333404480096549,17.086432397275388,36.44010815218559,0.8661049847734769,1.7978528153266706 +UMLCN0038,L,palmitoleyl alcohol,CCCCCCC=CCCCCCCCCO,Alcohols,Olefins,C16H32O,NREL (2014),Other Ignition Delay Method,PubChem,,46,0,-2.298399999999999,5.282642559999996,61.5137,50.29937599999996,0,0,49,17,32,0,16,0,1,0,0,0.0,0.0,0.0,0.0,0.0,2596.707984999997,2747.572524000001,2962.583795000002,2811.5499459999974,2613.7771529999973,2417.020423999997,2220.2636949999965,2023.5069659999951,1837.8412609999957,7987.341026743395,10294.331766427315,13548.057048202354,13940.027202639114,12902.145113253053,11895.346768297923,10888.548423342794,9881.750078387659,8958.60460537211,348.9908199999999,353.2593840000001,654.8615240000013,894.3075040000028,824.7041400000022,761.8192400000017,698.934340000001,636.0494400000007,573.5637080000002,59.49321695516805,78.22748159599998,113.15285242958383,124.13890428839264,114.6727625241477,105.65123366475174,96.62970480535577,87.60817594595983,79.25557849171487,8131.525848018469,6987.241925561052,14138.623066803479,20980.962252856047,19317.089445793223,17838.134290754642,16359.179135716062,14880.223980677463,13369.473721327518,109.25,101.75,163.25,197.0,183.75,171.5,159.5,146.5,132.75,52.994040510204016,57.241094250000025,32.5558658791209,22.13818855118108,22.339975666666643,22.379818740740713,22.426906010100975,22.48341073333328,22.689398283950563,163.00695972945704,214.46524513390239,148.87974778244345,109.76399372156783,110.2747445577184,110.14209970646225,109.98533760952317,109.79722309319621,110.60005685644579,7.12226163265306,7.359570500000003,7.196280483516498,7.041791370078762,7.0487533333333525,7.053881851851868,7.059942828282839,7.067216000000007,7.081033432098769,1.214147284799348,1.6297391999166662,1.2434379387866354,0.9774716873101783,0.9801090814029718,0.9782521635625161,0.976057624296523,0.9734241771773314,0.9784639319964799,165.94950710241775,145.56754011585525,155.36948425058767,165.2044271878429,165.10332859652328,165.16791009958,165.24423369410164,165.33582200752738,165.05523112750024,2.229591836734694,2.1197916666666665,1.793956043956044,1.5511811023622046,1.5705128205128205,1.587962962962963,1.6111111111111112,1.6277777777777778,1.6388888888888888,0.28306028559852836,-0.10038075184468093,-0.061068294221209095,0.015012846424430014,0.0017498931161262759,4.6017179861284306E-4,0.00240591690747035,-0.0012057897944876394,-0.01046534118503448,1416.9719490612229,-66.01853091711973,-664.3683094810507,19.16418429029656,3.4832761599340216,3.0026593752608193,2.522042590587617,2.0414258059144146,-41.3371933665139,2418.0964652753905,-68.52618524734827,-1135.6179046095117,28.24709916565205,2.3179630379533975,2.253916908143303,2.189870778332981,2.1258246485226593,-74.24641769635508,1.2535719183673468,-0.07206963431902981,-0.2265898075801718,0.0025969462723842325,-0.006410009162850703,-0.010238840483133619,-0.014067671803416545,-0.01789650312369939,-0.032807048729696475,10.77406138150726,-0.16602124982978478,-4.809749843892076,0.10061907370633079,-0.008652274217349126,-0.008801007673158362,-0.008949741128967598,-0.009098474584775945,-0.3406437216412568,58.93908896710714,-0.6816984489399115,-25.699921796645956,0.5004491810941772,-0.08422739619075226,-0.08662033097513411,-0.08901326575951596,-0.09140620054389781,-1.8779778913565295,26.95918367346944,-1.6589962515618502,-4.016034985422737,-0.521761765930862,-0.7596834652228243,-0.9100374843815091,-0.8103915035401962,-1.0627863390254106,-1.4172219908371553,0.0057767405224189465,-0.0020912656634308525,-6.71080156277023E-4,1.1821138916874027E-4,1.49563514198827E-5,4.260849987155954E-6,2.430219098454899E-5,-1.3397664383195993E-5,-1.2920174302511703E-4,28.917794878800468,-1.3753860607733277,-7.30075065363792,0.15089908889997292,0.029771591110547193,0.027802401622785362,0.0254751776827032,0.022682508954604608,-0.5103357205742457,49.348907454599804,-1.4276288593197555,-12.479317633071558,0.22241810366655157,0.019811649897037587,0.02086960100132688,0.022119906851848295,0.023620273872473993,-0.9166224406957417,0.025583100374843813,-0.0015014507149797877,-0.0024899978854963935,2.044839584554514E-5,-5.478640310128806E-5,-9.48040785475335E-5,-1.420976949840055E-4,-1.9885003470777098E-4,-4.0502529295921574E-4,0.21987880370422977,-0.003458776038120516,-0.05285439388892391,7.922761709159904E-4,-7.395106168674467E-5,-8.149081178850336E-5,-9.040142554512724E-5,-1.0109416205306605E-4,-0.0042054780449537876,1.2028385503491252,-0.01420205101958149,-0.28241672304006543,0.003940544733025017,-7.198922751346347E-4,-8.020401016216121E-4,-8.991238965607673E-4,-0.0010156244504877533,-0.0231849122389695,0.5501874219075396,-0.03456242190753855,-0.04413225258706304,-0.00410836036166033,-0.0064930210702805495,-0.008426273003532492,-0.008185772763032284,-0.011808737100282341,-0.017496567788113027,-0.36201481706073896,-0.1161693438839132,0.020463337189886546,0.0025890640858523264,7.375872207899984E-4,0.004206903683874088,-0.002319242889861681,-0.02236585536838605,-0.047561927406215135,-0.25246567673076875,0.005218208702718079,0.001029524942525014,9.614288274507128E-4,8.809516005447208E-4,7.843789282575303E-4,-0.017647808994881938,-0.028929290088805935,-0.2528793093251827,0.004507052235577305,4.0146076010424313E-4,4.2289894706436156E-4,4.482349861990005E-4,4.7863823316056717E-4,-0.01857432085075074,-0.05868916171146259,-0.09732979384878777,7.992931093548109E-4,-0.0021415075693937483,-0.0037057306252355387,-0.005554357873048568,-0.0077727105704241675,-0.015831751704241535,-0.015730375005919593,-0.24037966824679047,0.00360324031952494,-3.3632646913169504E-4,-3.7061695086408066E-4,-4.1114206563871807E-4,-4.5977220336823816E-4,-0.019126345851011594,-0.011807113278385805,-0.23479187872561422,0.003276037945309676,-5.98494515266147E-4,-6.667894884054216E-4,-7.475017293882006E-4,-8.443564185675353E-4,-0.01927516559245632,-0.06281936033308091,-0.08021312525476015,-0.007467201535462858,-0.011801471301849787,-0.015315277427313758,-0.014878153220318302,-0.02146311716712933,-0.03180110466257328,1.3679408555957882,0.9240928715941688,0.6688841327168906,0.7250058391762854,0.7676977494726958,0.8130124640967067,0.880555502238592,0.9599214009442164,1.4092306155552021,1.393566233712615,0.9339550575083755,0.9436757037545248,0.9463687256943991,0.9495513879869781,0.9533705827380727,0.9833540274470783,1.4674447138968991,1.446099772894899,0.9658061009496025,0.9719629940834463,0.9702033869900643,0.9681238513342488,0.9656284085472704,0.9901639306744088,1.071938498550688,0.9374208040132855,0.6573944426513014,0.698058933916424,0.7394138548122957,0.7882878522346892,0.8469366491415616,0.9242240643379045,1.4836957314000088,1.44823024893262,0.9670978068937328,0.9731101734883736,0.971169991859031,0.9688770499334443,0.9661255196227402,0.9904401034941154,1.484869090329433,1.443728628395241,0.964368477906503,0.9706862239682464,0.9691275899485535,0.9672855679252799,0.9650751414973516,0.9898565600911217,1.0664269492808458,0.9000174692831754,0.6483992680324485,0.6962091655505723,0.7459836823954902,0.8003119766935043,0.8679788039364101,0.942439790282332,190.56435289827226,95.407176449136,150.91379816022007,190.78494113356618,11.222643596092126,95.407176449136,0.24999999999975842,0.02015988017788345,0.0011858753045813793,-6.636903324901802,135.8680211185879,7.992236536387524,8.34986276873629,190.56845534254177,95.40886046082014,150.9157553147216,190.7883955593934,11.222846797611375,95.40886046082014,0.24926557909850544,0.020190454944835623,0.0011876738202844484,-6.6343270333489155,135.86232442663717,7.99190143686101,8.349791489422246,194.25258687816265,96.92679620005231,152.68867795359068,193.900532926935,11.405913701584414,96.92679620005231,-0.3989944780580288,0.04793297810045688,0.0028195869470856987,-5.164517606726812,131.71265197233384,7.7478030571961085,8.297058540264107,190.57276106061227,95.41062793041556,150.9178094860184,190.79202117845242,11.22306006932073,95.41062793041556,0.2484948002188645,0.0202225453296484,0.0011895614899793178,-6.631627225600064,135.85634837727812,7.991549904545772,8.349716711463063,198.26288642500396,98.59029608033242,154.6536446233918,197.30792089764594,11.606348288096818,98.59029608033242,-1.0822942643391258,0.07895202491046555,0.00464423675943915,-4.316155314017327,128.98471409646004,7.587336123321179,8.261479633339246,190.9946247159786,95.58387945092844,151.1192751315215,191.14739017410648,11.243964127888617,95.58387945092844,0.17313418587828266,0.023370000208046915,0.001374705894590995,-6.385713606599409,135.28505230112057,7.957944253007092,8.342552886504944,198.06844630288543,99.25098169059159,156.84856938131273,198.47469630288543,11.67498213546385,99.25098169059159,0.5312499999999574,0.056764439542605793,0.0033390846789768114,-4.877036863300066,124.33604297677113,7.313884880986537,8.199079470999054,0,11.996177893951009,15.997945149932786,-0.4217308188440722,0.06981980202753013,3.946293991361002,7.785024769402697,16.0,48.0,47.0,47.0,15.0,1.0,1.0,0.0,0.0,1.0,34.982623999999994,3.575886865094377,3.4763040481739407,3.3640532399717644,3.1986203102263437,2.986263693675969,2.7796874362671375,2.5045343298887555,2.2850883354701788,1.9430366850747811,1.8920967956352832,1.7892887457774544,1.6687515721977229,1.519248675429663,1.358247736392183,1.1989426775867258,1.0438902545187905,3.599307216665331,3.499504217710993,3.386309966600261,3.212959603110013,3.0053506215722425,2.790227269577125,2.5229508642500633,2.3069424903054747,1.8885682940558208,1.8333161840467738,1.732388196033314,1.6057309400320678,1.4533826574381148,1.2852281314018505,1.115149690829398,0.9520076400165367,3.706863405891961,3.6291807796900235,3.522481142370831,3.371765105989073,3.1886250312077826,2.9963348314896536,2.7712294127115835,2.5787070489725084,1.7277691755671012,1.6499839483721188,1.5410056685680968,1.3865419926423388,1.205014113383672,1.0088168470977241,0.7903292077067273,0.599926481932154,3.6169070219000186,3.5195535652570866,3.406473469189491,3.2334279619985913,3.0293910618390663,2.8139893895620727,2.5537405426566084,2.340170861903758,1.8541102539220908,1.7962759025211443,1.6964540678040438,1.5667228695588058,1.411405065732454,1.2395342205158983,1.0610076226787768,0.8926455692184843,3.759650435782376,3.6886342978187225,3.583091944084586,3.4377965469027996,3.264258344314787,3.0774855431138812,2.870247422603012,2.6870003909534974,1.6789115705604114,1.5937686909534594,1.4835627598697414,1.322546553559981,1.1319209684568572,0.9291782186410951,0.6932636546080344,0.49389227690776966,4.419100137512755,3.7057576735541886,3.5105152504590875,3.4406490529404605,3.213868055754861,3.054614841102689,2.785545751563708,2.5661404146450826,1.804844784797516,1.7530546539163818,1.61121296739306,1.4632739063758455,1.2890110371665788,1.0830881625883455,0.9061022057776061,0.7090744545198839,0,0,0,2,0,2,12,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.606601717798217,8.414213562373096,5.5961940777125605,3.707106781186548,2.4445436482630063,1.603553390593274,1.0454951288348662,0.6767766952966369,0.7415648069293068,0.5258883476483185,0.3730796051808374,0.26479334151332484,0.18804181909715434,0.13362944921610617,0.09504501171226055,0.06767766952966368,11.794302289304332,7.673164461464445,4.954342103070101,3.1699155640655556,2.0057665307440184,1.2516244486994446,0.7604626415920743,0.4619850721589666,0.6937824876061371,0.4795727788415278,0.33028947353800675,0.22642254029039682,0.15428973313415525,0.10430203739162038,0.0691329674174613,0.04619850721589666,25.384043964990795,47.53605243991265,44.956862745098,45.560000000000024,29.257111377245554,376.6066023952096,0.5180417135712407,0.9701235191818909,0.9174869947979184,0.9297959183673474,0.5970839056580726,7.685849028473665,5.162190000000007,77.03380000000007,100.0028270250051,158.73342281374897,200.00565405001024,11.765038473530014,100.0028270250051,8.326672684688674E-16,4.89804275569922E-17,-59.02722583352923,2000072.8883283122,117651.34637225365,24.664780109441317,384,1.0,0.0,1.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,14.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,13.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6167593746450355,0.0,8.63426799954731,4.723302850448413,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6167593746450355,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5065097054470702,0.0,0.0,3.776730919907895,0.5998456790123456,0.0,0.5065097054470702,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2603158546400133,0.0,15.882113295364263,0.0,4.723302850448413,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.63426799954731,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6167593746450355,0.0,8.63426799954731,2.360782391660368,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6167593746450355,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2532025541698161,0.0,0.0,0.2124684984287833,0.2972222222222222,0.0,0.2532025541698161,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2603158546400133,0.0,0.36187403549382724,0.0,2.360782391660368,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.63426799954731,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6167593746450355,0.0,8.63426799954731,2.3625204587880453,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6167593746450355,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2533071512772541,0.0,0.0,0.45558641975308645,0.3026234567901235,0.0,0.2533071512772541,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2603158546400133,0.0,1.3945408163265307,0.0,2.3625204587880453,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.63426799954731,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,31.5,1.8529411764705883,0.6167593746450355,8.63426799954731,0.2124684984287833,0.36187403549382724,9.954159855695616,1.1381259645061728,2.63426799954731,7.235773409271474,1.1381259645061728,2.63426799954731,7.235773409271474,8.33333,0.4902,0.0,0.0098,0.45442,0.7451,0.4283,0.44837,0.72037,0.02612,0.00606,-0.02006,0.02473,0.65789,0.0564,0.0,0.1,0.0,0.0,9.25,0.54412,8.25,0.48529,1.0,0.05882,-7.25,-0.42647,0.0,0.0,19.56036,1.15061,22.1419,2.58154,0.15186,7.53306,0.44312,8.41421,0.88115,0.05183,-2.1E-4,-1.0E-5,-2.1E-4,-1.0E-5,0.0,16.01,1,1,1,1,1,1,0.875,1.043281272686637,1.939184746001469,3.0697460807634194,3.848805252013559,4.1116183246375915,4.119113670336754,51.12078236164521,95.02005255407198,150.41755795740755,188.5914573486644,201.46929790724198,201.83656984650094,0.18581214375309218,0.34537577182798385,0.5467328082823065,0.6854860462731661,0.7322939989404776,0.7336289469444279,4.571428571428571,3.6755250981137393,2.544963763351789,1.7659045921016494,1.5030915194776169,1.4955961737784547,0.18581214375309218,0.34537577182798385,0.5467328082823065,0.6854860462731661,0.7322939989404776,0.7336289469444279,8.564402727121067,15.475038093759665,20.138561168435793,22.43904110085407,22.873254684078084,22.71146469120051,64.37907917730317,48.36636388072897,37.14496779276861,29.408696320102752,28.05449745931794,28.665957199804012,17.0,16.0,16.0,17,2,16,3.11,2.378700000000001,0.0,2.3352028838688117,0.0,0.0,25.332009090222645,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.407,0.399,0.549,0.341,8.548,15.0,14.0,13.0,12.0,11.0,10.0,9.0,8.0,7.0,132.0,2.8903717578961645,2.8903717578961645,2.8903717578961645,2.8903717578961645,2.8903717578961645,2.8903717578961645,2.8903717578961645,2.833213344056216,2.772588722239781,2.70805020110221,5.204006687076795,1.371212121212121,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,0.8125,15.0,0.9375,2,8.0,16.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.03125,0.01481481481481482,0.008928571428571428,0.006153846153846155,0.004629629629629629,0.003710575139146568,0.003125,0.0027434842249657054,0.0025000000000000005,0.0023612750885478157,0.09431910857078861,100.0028270250051,158.73342281374897,200.00565405001024,11.765038473530014,100.0028270250051,8.326672684688674E-16,4.89804275569922E-17,-59.02722583352923,2000072.8883283122,117651.34637225365,24.664780109441317,20.23,291.4459807144285,5.08746284125034,4.143134726391533,4.795790545596741,5.459585514144159,6.124683390894205,6.794586580876499,7.4645098346365275,8.137103389639302,8.80941494391005,9.483492392643639,94.21230131873266,3.4965075614664802,0.0,4.532599493153256,0.0,5.6937321388027,0.0,6.912742820493176,0.0,8.164225652265827,8.507950610049305,240.245315644,4.902965625387755,32.828432360734816,1.9310842565138127,2.414200921578345,2.414200921578345,0.0,816.0,14.0,7.162999999999999,62.0,1.227975462467187,2.137035848268116,2.8758162699706267,3.6310276497289373,4.979711405217189,5.999952837457782,7.326966936205613,8.438847939194531,9.737450716538149,10.861808576223444,82.42870904645675,78.03466816882936,78.23750146476509,105.4937877017286,133.17283704335048,160.7466489362783,188.99893678779912,218.48597516733184,239.71454605873456,255.42758089195323,291.016098700431,341.0752732142032,350.6736115404631,476.042524554377,608.235095357906,738.9613947095925,872.4662924233793,1013.4548257866163,1125.2484299184077,1217.611786777623,9.073060045851223,15.43170415995284,20.320335064102046,25.849595643277063,35.29836043346767,42.62983472959389,51.99657324837597,60.04148091500632,69.21288384157424,76.80600538308056,2.1503199944077465,2.7939919528815507,3.0059682952782625,4.037797769853397,5.229717578939454,6.350907364327908,7.543416365027303,8.754203505429494,9.802090503774938,10.728096776922154,176.30387108567243,328.46758829037503,471.089208547679,584.2422272345285,812.6194297390862,975.9962956061073,1199.575883194544,1377.3908650740032,1599.132027157388,1788.4727008920297,2.6836473230446685,3.9341961784793242,4.612340936958093,6.1676778954467695,8.248101862302555,10.185709501035438,12.358726630751507,14.372162301547739,16.773825929419075,17.920163030542074,0.4527765598556362,0.5985195207124911,0.6503365467054671,0.872925990169728,1.1350522973096973,1.380661259516364,1.645155251277563,1.9132564159220715,2.150744583009223,2.3499555822950158,669.0160963993466,808.9874306017464,27.116306448776644,146.89116954204837,-177.62369315995318,-21.488685012300813,522.1249268572982,986.6111237616996,48.60499146107746,0.819965851912637,0.9915188457947305,0.03323454463601302,0.1800341480873627,-0.21770083510043345,-0.026337165887972736,545.8550940839758,660.058722683225,22.124391457050372,119.84957253198664,-144.92446185255068,-17.532774237062192,0.1734370945611182,0.32724055002214425,6.6069416648912505,11.761132438737857,741.8727716287475,74.03449431264752,0.9092611410596687,0.09073885894033117,1051.8917058171623,32.43288001114243,10.170063788402848,1378.5108061626152,37.128301956359586,11.129356606816742,1766.7466971380798,42.03268605666404,12.089029277390635,5.465709973270611,5.465709973270611,9299.262499429347,9245.978889860182,98.58586864434801,1.005762895438535,94.32652597480035,93.78604679353565,7.302895948712874,10.869580556764829,20.75695806952454,0.9096374474731842,13.267590656311059,14.089349259835725,8.15645372695607,64.64298313938282,32.98728725625523,0.8093142008554782,14.283601922666127,11.072395814837678,48.99017699918872,0.3393146538052798,1.5064150701259698,37.3842675344421,2.1985682216898392,51.91008421410049,9.98081994563602E-4,1.0466596135356077,25.973087909128193,0.3452681889866786,51.10883045961136,3.4080030365985E-6,2.389652812964375,16.961653030074192,0.8666763520878688,44.700529434492154,2.7840182875290965E-6,2.055978154526553,9.922987319657851,1.1675683258567284,30.061246821856745,5.719934207805955E-6,1.1392713103616148,14.249196390016893,0.7225571984924886,14.854174240481642,0.2378872194045606,0.07410643664511331,2.1519254274247204,0.08536060638236301,13.35927626592862,0.002391629693841963,0.09863579443686579,2.8727766155664707,0.023513246791356756,11.278834144009958,7.10331256956939E-6,0.1400815910726924,1.066858009060853,0.0288423277419463,8.608107126951772,1.1868711381401778E-7,0.2733119883115369,0.32113045881027824,0.046140338471901216,5.960345983573575,2.2395751874168365E-7,0.4156277158089224,0.10881132158516252,0.0532610978735615,3.796896796559951,4.762444630401325E-7,3.5228278970334843,13.929411524249492,2.072774058943851,18.190914931253456,2.4353510289629203,0.2218345083157853,4.44744528973505,0.8316034637934712,17.657865386426156,0.024908422873395807,0.25751509275329115,9.157484714001274,0.1819890094600717,17.166432751616185,7.34430023245668E-5,0.22245906138552965,4.133863629103426,0.09319407635091143,14.735051580838332,4.933893855964003E-7,0.38114701177058413,1.756687840134555,0.16646029783550265,11.38017975288824,7.293434313576877E-7,0.4268247738538385,0.826011453353576,0.20136231183897382,7.3853609208241,1.5398724695859215E-6,12.812573047032343,14.259730348375133,8.187011007778622,59.46071826903901,29.394906483662485,0.764623665853867,14.059008808664927,9.870384666610445,46.57263041363357,0.3023244933812239,1.382020300476902,35.193668490678284,1.9644127691348336,49.43201952088054,8.893238572441458E-4,0.972473163042183,23.75233538706026,0.32581288360148714,48.35350991800623,3.101664867166386E-6,2.217958152388661,15.249158057447143,0.7997586825445,41.85294949398641,2.621218709815078E-6,1.9512010556229262,8.86749644337605,1.0712873690867704,27.975147358635564,5.396541660781667E-6,5.105263405069824,13.80866047226795,2.9111704192290557,22.498724903270862,5.276238384457554,0.32400015253153397,5.9296095882259445,1.788201368391757,21.347745451861087,0.05409997186392552,0.40510162079198264,13.64895545824269,0.37554831587882687,21.76034837075727,1.5934657431799674E-4,0.31038767668262657,6.833692901146459,0.13744006184476146,19.559253292692393,8.387122061111216E-7,0.5487715147532984,3.32445124303077,0.26306170178310606,15.75546138223993,1.0813746896868098E-6,0.534730798780902,1.700135589754147,0.32659073073812445,10.34692782954914,2.272015314580229E-6,16.256709295936613,14.203948228058461,10.267918521398846,87.36980555557666,48.09074207105157,0.9784820340838378,17.491509947768268,16.123987881919515,62.04721656746938,0.49485263376072364,2.0359995180979413,46.55638039283158,3.1802187582059314,65.17362787042525,0.0014553683050837296,1.4050464958113618,35.07492282467902,0.41739803549887317,65.03499364405769,4.661419987097742E-6,3.3624968319836737,24.09001639312377,1.1333932165413068,57.74926822503173,3.393700115256448E-6,2.8465036512210955,14.348767656560586,1.555949302273701,39.03772295854584,6.9200108559348016E-6,9.901519858109001,14.782162598308012,7.934712808971782,35.75515173416627,13.009186610242402,0.48560856128359975,12.809128589397847,4.3780333098103466,34.797228249003176,0.13359177769503416,0.7687370682614072,23.34807357472356,0.886121361568212,37.28688918683329,3.9318111821606735E-4,0.693487421714286,12.912551665465127,0.27117535211678684,34.30630015617408,1.5854727406397025E-6,1.606143114595639,7.206807573583326,0.44372012333601446,26.993597276748364,1.6192938731277305E-6,1.596717299210368,4.006099353247798,0.5749837480190981,17.311292339887746,3.368158369190948E-6,38.69867557310008,0.8425872559257115,0.4574954467509604,0.9674969234366456,0.021065335331571584,0.573694547035132,0.7036818440876478,0.5835199848690555,39.99875827577676,50.69695856216006,105.61327583813318,0.9512453851549686,1.8608963759918353,38.58225639060412,0.3159987332090138,0.09440592081470561,0.9894748231326401,0.008104056628690902,0.5703529539255848,0.09915986981722706,0.02502007121520278,38.992661044627845,15.864169736825199,56.007822494867696,0.9842122346989601,0.6945328949580146,37.196775205298614,0.5284610731750488,0.23963670926433434,0.9797681982845704,0.0139197376834563,0.5300529678864261,0.2772816686022127,0.16094385835035313,37.964872987738,28.69739922163606,71.37282244451262,0.9696522974268555,0.968278494838992,39.1264219252587,0.8241776143064853,0.4452031295790032,0.9685764198255407,0.02040255570750232,0.5864565470009011,0.6735567031311249,0.5529290259450996,40.39580266914419,50.03325302228058,104.7855749155789,0.9528646297383111,1.8129422760771257,36.982717983598086,0.6252359593619177,0.3062141585308817,0.9754326637103196,0.016490826270755807,0.5239512145972972,0.38772406154507544,0.2623746379332238,37.91416810149089,34.63901312899784,79.63374830060587,0.9631489955654793,1.1740499140755964,39.04449789145946,0.8815492378612588,0.4846310843463418,0.9661925911021818,0.021814759782059667,0.5839936387569575,0.7702093259774534,0.6543536235677482,40.410678213667055,53.76905087283745,110.86056010886284,0.9492888866532727,2.008556588302159,39.148310692623596,0.8260989491787581,0.44668403746550384,0.9685119112129053,0.02043732304062984,0.5871118446209799,0.6766739775974547,0.5565819476069143,40.421093679267855,50.19630901940014,105.06333346217482,0.9527678668193579,1.8203677698253489 +UMLCN0039,L,1-heptanol,CCCCCCCO,Alcohols,,C7H16O,NREL (2014),IQT,PubChem,,29,0,-1.8373999999999997,3.376038759999999,27.7335,23.79068799999998,0,0,24,8,16,0,7,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1282.0738719999983,1255.4820269999996,1269.6674419999983,1096.2801849999971,899.5234560000002,702.7667270000002,506.0099980000002,309.2532690000003,68.61657600000001,3678.3490001045525,4646.893788755046,5847.246997585256,5555.374774541524,4548.576429586405,3541.778084631285,2534.9797396761583,1528.1813947210292,609.447463694361,173.63075200000003,171.51262800000003,312.203408,403.84317999999985,340.95828,278.07338000000016,215.18848000000014,152.30358,89.27884799999998,27.27931047758398,35.31067263600001,49.307044175641046,50.51161212777208,41.49008326837606,32.46855440897998,23.447025549583977,14.425496690188005,6.2747515067920006,4031.694210820485,3396.131957344651,6803.128771010943,9577.279612530074,8098.324457491478,6619.369302452881,5140.414147414284,3661.458992375688,2188.016593995342,69.5,53.25,82.0,92.75,80.5,68.25,56.0,46.0,28.0,53.419744666666595,54.5861750869565,29.52714981395345,19.232985701754334,18.740072000000005,18.019659666666673,16.86699993333334,14.726346142857157,5.7180480000000005,153.264541671023,202.0388603806542,135.9824883159362,97.46271534283375,94.76200894971676,90.81482268285346,84.49932465587194,72.7705426057633,50.787288641196746,7.234614666666668,7.457070782608697,7.260544372093023,7.084968070175436,7.1032975,7.130086666666671,7.172949333333338,7.252551428571429,7.4399039999999985,1.136637936565999,1.5352466363478263,1.1466754459451407,0.8861686338205629,0.8643767347578346,0.8325270361276919,0.7815675183194659,0.6869284138184765,0.5228959588993334,167.98725878418688,147.65791118889786,158.2122970002545,168.02244934263288,168.7150928644058,169.72741801161234,171.34713824714282,174.355190113128,182.33471616627853,2.8958333333333335,2.3152173913043477,1.9069767441860466,1.6271929824561404,1.6770833333333333,1.75,1.8666666666666667,2.1904761904761907,2.3333333333333335,0.23422019005767084,-0.10050003695758548,-0.03615122321227278,0.015317434166608426,0.0012188924302747595,-3.250748949300778E-4,0.001101927862051065,0.009991179168875267,-0.022238553527471387,719.4334713333333,-66.68627802777713,-330.91273547222175,6.8991569166664135,6.650654666666469,6.402152416666468,6.153650166666523,5.905147916666522,-38.22331833333348,1116.2736328932049,-77.08945915961654,-535.474033951901,-15.574503221462432,-16.112763761494502,-16.651024301526345,-17.1892848415583,-17.72754538159037,69.79860800683421,1.1030393333333326,-0.08516669444444283,-0.16814880555555461,0.0018349166666652358,-0.01104733333333429,-0.023929583333333816,-0.03681183333333338,-0.04969408333333293,-0.2024083333333324,4.928582617861332,-0.23811602215510114,-2.1987025753918803,-0.16475102933333516,-0.17652327933333553,-0.18829552933333635,-0.20006777933333672,-0.21184002933333687,0.6471713966666628,27.133886145623816,-1.1396930720233838,-11.647632349245555,-1.0635580123775923,-1.1504171539791552,-1.2372762955807168,-1.324135437182278,-1.41099457878384,4.0149029378645995,24.125,-2.265625,-3.078125,-0.234375,-0.625,-1.015625,-1.40625,0.453125,-4.3125,0.009759174585736285,-0.004369566824242847,-8.40726121215646E-4,2.687269152036566E-4,2.5393592297390823E-5,-8.335253716155841E-6,3.67309287350355E-5,4.7577043661310795E-4,-0.0018532127939559489,29.976394638888888,-2.8994033925120495,-7.6956450109819015,0.12103784064327042,0.13855530555555143,0.16415775427349916,0.20512167222221744,0.28119751984126296,-3.18527652777779,46.5114013705502,-3.3517156156355017,-12.452884510509325,-0.27323689862214795,-0.3356825783644688,-0.42694934106477805,-0.5729761613852767,-0.8441688276947795,5.816550667236185,0.045959972222222194,-0.003702899758454036,-0.0039104373385012705,3.219152046781115E-5,-2.3015277777779772E-4,-6.135790598290722E-4,-0.0012270611111111125,-0.0023663849206349017,-0.016867361111111034,0.20535760907755551,-0.010352870528482659,-0.051132618032369306,-0.0028903689356725468,-0.0036775683194444904,-0.004828090495726573,-0.006668925977777891,-0.010087620444444613,0.0539309497222219,1.1305785894009923,-0.04955187269666886,-0.2708751709126873,-0.018658912497852495,-0.0239670240412324,-0.03172503322001838,-0.04413784790607593,-0.06719021803732572,0.33457524482205,1.0052083333333333,-0.09850543478260869,-0.0715843023255814,-0.004111842105263158,-0.013020833333333334,-0.026041666666666668,-0.046875,0.021577380952380952,-0.359375,-0.4477393847046526,-0.08614725700720899,0.02753582414607274,0.00260202254548303,-8.54094128855774E-4,0.0037637331325868807,0.04875109389973202,-0.18989441962279768,-0.09672288570522768,-0.2567235020651286,0.004037771790148705,0.004622147100232036,0.005476234091892242,0.0068427732785486355,0.009380631768053274,-0.10625949405021097,-0.07206223671767757,-0.267738321004324,-0.00587462193291717,-0.0072172105864996405,-0.009179455541735432,-0.012319047470112783,-0.018149718194242263,0.1250564484371583,-0.08056792855639804,-0.08508354442848265,7.004251506541636E-4,-0.005007678783289519,-0.013350292225207208,-0.026698473732275536,-0.05148795367397386,-0.36700111630954085,-0.05041386377152836,-0.2489930529579672,-0.014074808080673396,-0.017908118116312977,-0.023510648168401652,-0.03247469625174346,-0.049122214120806765,0.2626196806851909,-0.04382877330351942,-0.23958986438634353,-0.016503861538487506,-0.02119890139961938,-0.02806088273511978,-0.0390400528719204,-0.0594299402688359,0.29593276217915643,-0.0979950439288128,-0.07121339920472347,-0.004090537223888737,-0.01295336787564767,-0.02590673575129534,-0.04663212435233161,0.021465581051073282,-0.3575129533678757,1.381718421507054,0.8287877972387054,0.6253251736724965,0.7423275966366875,0.8854629377114536,1.1057643639620798,1.49061031260735,2.7636088656974835,1.429336027547091,1.3431248616179543,0.8774299191160754,0.8806800360345949,0.885430206915508,0.8930304803249692,0.9071452737996835,1.05933433069341,1.5653899874158763,1.450601718518604,0.9315561967729441,0.9129485944961595,0.885752868091628,0.842239705844378,0.7614295473851994,0.4081955929389331,1.0462219842266132,0.8963148291731275,0.658815971347557,0.7617392308161878,0.9121655331164938,1.1528476167969837,1.5998286293464652,2.9602564792189354,1.6098004675905848,1.4627805620272585,0.938706880129349,0.9190212534911182,0.8902499530198579,0.8442158722658412,0.7587240080083812,0.20635701994768685,1.6135370244008742,1.455782062824421,0.9356243363407643,0.9179697008624376,0.8921667720864214,0.8508820860447956,0.7742105262532055,0.19312493170646122,1.0673575129533677,0.8702253283528135,0.648122897918371,0.7597150259067357,0.9228112129666532,1.1837651122625215,1.5662472242783123,3.0189982728842826,42.487096729353766,21.36854836467689,34.33554651579201,42.67459672935377,5.334324591169222,21.36854836642876,0.2500000000000142,0.02644207682102051,0.003305259602627564,-2.90623897490666,32.41425447141078,4.051781808926347,2.7828786230949905,42.490558378786744,21.36991197894272,34.3373807239207,42.677507563110765,5.334688445388846,21.369911980691942,0.24926557909870084,0.02636645583418029,0.0032958069792725364,-2.9085301512670547,32.41470502386506,4.051838127983133,2.782889742877453,45.59183388062819,22.596419701285093,36.05016183448608,45.292588022084686,5.661573502760586,22.596419701758517,-0.39899447805800037,0.04512935444966781,0.005641169306208477,-2.4785778955880904,33.99712175126941,4.249640218908676,2.821020693326679,42.4941915405086,21.37134317036378,34.33930598327867,42.68056264067281,5.335070330084101,21.371343172110222,0.24849480021895687,0.02628707828010024,0.00328588478501253,-2.9109422245471928,32.41518043534703,4.051897554418379,2.782901476021292,48.94014198091135,23.9289238582861,38.079080469079784,48.12842128265699,6.016052660332123,23.928923858407433,-1.0822942643391436,0.12990765376974178,0.016238456721217723,-1.632745149252819,41.32360035351569,5.165450044189461,2.977147019112074,42.850101277839045,21.51161773185867,34.528772466695315,42.97995191724776,5.37249398965597,21.511617733354672,0.17313418587829332,0.018462124660545642,0.0023077655825682053,-3.1936271689276468,32.47459035473632,4.05932379434204,2.784366358643394,43.19116697737135,21.8723519021653,35.63541464568022,43.578037137663934,5.447254642207992,21.872351903364137,0.6666666666666359,0.049030935025863476,0.0061288668782329345,-2.41224308241293,31.51939443367861,3.939924304209826,2.76048244214051,0,11.996320081973382,15.997942763063627,-0.42171789897481876,0.0696944424909326,3.9259362683569505,7.0720830460154405,7.0,23.0,23.0,23.0,7.0,0.0,0.0,0.0,0.0,0.0,17.491311999999997,3.47923153986251,3.209375270957275,2.8007997014155084,2.3170789951236124,1.8426916496249905,1.4596933057197026,1.210418921935509,1.087789484845487,1.8992471101032993,1.692270782075742,1.3940892785663845,1.0754498667575825,0.807993909554405,0.6252976733734529,0.522761132208286,0.3865555792549088,3.5001318685342473,3.2146481338506305,2.791487588334699,2.305507809687286,1.8474027881445478,1.4939896843318397,1.2741634015329943,1.1504892248390683,1.8419022935705822,1.6345050712347937,1.3308992998163343,0.9965336159499689,0.7050125478854569,0.49888190160364776,0.3775544927930211,0.3104209568411546,3.635178241071227,3.3923241518380847,3.031022137880119,2.6178184843477297,2.2357214187894905,1.949726151032358,1.7757045353234087,1.6966490224571493,1.6536668605067637,1.398604846193372,1.026837040819064,0.614433348611623,0.24752734976655372,0.01651419738653048,0.17035448398839487,0.30206681843255234,3.519984514095581,3.23419844870025,2.8127016306272075,2.333224704111495,1.8883596423421232,1.5524496035745154,1.349633217809585,1.1882772527019827,1.8058434833047432,1.598900159653911,1.2914382422254782,0.9458399714110076,0.6377363615884014,0.41613508326049853,0.2842882189711918,0.22419000851756474,3.6949746153989316,3.4592369179091245,3.1123799410281827,2.7230258412292185,2.372305388557175,2.116626437086976,1.9635873561037287,1.889010990815137,1.596713360676977,1.3322220057140732,0.9438281788957272,0.5064365840568974,0.10785715332892118,0.18686341363040576,0.3634828188893434,0.47610821891628435,4.463725307750385,3.524828234519942,3.2154189042161088,2.753974605215999,2.2671408998799003,1.8720354303805422,1.6158585137366832,1.4817091360704095,1.745082836556023,1.462432272093996,1.0844162783465712,0.7055123732600631,0.39479195483145596,0.1840002019905881,0.0689493754607138,0.359585169860343,0,0,0,0,0,2,5,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.242640687119286,3.914213562373095,2.414213562373095,1.4571067811865475,0.8535533905932737,0.47855339059327373,0.25,0.125,0.7803300858899107,0.5591733660532993,0.40236892706218247,0.29142135623730947,0.21338834764831843,0.15951779686442458,0.125,0.125,5.689854282619244,3.5233345472033855,2.137820360123074,1.2616672736016927,0.7153567894682632,0.38083363680084636,0.18090169943749473,0.05590169943749474,0.7112317853274055,0.5033335067433408,0.3563033933538457,0.2523334547203385,0.1788391973670658,0.12694454560028212,0.09045084971874737,0.05590169943749474,12.049421534703852,23.433357611070644,22.152941176470595,22.48,13.868675449101792,185.63786706586828,0.5020592306126604,0.9763899004612768,0.9230392156862748,0.9366666666666666,0.577861477045908,7.734911127744511,1.949100000000001,35.844799999999985,21.836353346989743,34.97342453153384,43.67270669397949,5.4590883367474365,21.83635334804216,2.7755575615628914E-16,3.469446951953614E-17,-28.656407870242358,32.7162929366335,4.089536617079188,2.7902985670066807,74,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6725779478458049,0.0,8.365586734693878,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6725779478458049,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.927422052154195,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1933985260770976,0.0,6.441014739229026,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.365586734693878,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6725779478458049,0.0,8.365586734693878,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6725779478458049,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.215625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1933985260770976,0.0,0.36479591836734704,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.365586734693878,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6725779478458049,0.0,8.365586734693878,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6725779478458049,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1933985260770976,0.0,1.3194444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.365586734693878,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.0,2.125,0.6725779478458049,8.365586734693878,0.215625,0.36479591836734704,4.0521172675736965,1.135204081632653,2.3655867346938777,5.117970521541951,1.135204081632653,2.3655867346938777,5.117970521541951,3.83333,0.47917,0.0,0.02083,0.46528,0.79583,0.42308,0.46528,0.74074,0.0422,0.0,-0.0422,0.05509,0.60209,0.1122,0.0,0.21739,0.0,0.0,3.75,0.46875,3.75,0.46875,0.0,0.0,-3.75,-0.46875,0.0,0.0,7.14985,0.89373,7.95768,0.80783,0.10098,3.57596,0.44699,3.91421,0.33826,0.04228,-2.1E-4,-3.0E-5,-2.1E-4,-3.0E-5,0.0,7.01,1,1,1,1,1,1,1.0,1.0994839817876882,1.659420858697632,2.721251836004466,3.2924812503605785,2.9490822953528215,2.499389675512395,26.387615562904518,39.82610060874317,65.31004406410719,79.01955000865388,70.77797508846771,59.985352212297485,0.23980217539723678,0.3619268114922698,0.5935167050060818,0.7181042919855315,0.6432075060349933,0.5451276155735784,3.4854785189334687,2.925541642023525,1.8637106647166908,1.2924812503605785,1.6358802053683354,2.0855728252087617,0.24305712897675427,0.36683942318413054,0.6015728009120627,0.727851476854865,0.6519380797700857,0.5525269024260258,9.670323248283523,13.917864819721116,18.127531493139244,18.703230795942034,15.2176178983873,16.41764807218079,29.54361367989457,24.5127313350232,20.039460546252588,18.971804688852167,24.175064364844417,22.367471846942436,8.0,7.0,7.2,8,0,7,2.12,1.1536000000000006,0.0,2.0041451295984074,0.0,0.0,7.473424936522629,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.385,0.375,0.449,0.20500000000000002,4.117,6.0,5.0,4.0,3.0,2.0,1.0,0.0,0.0,0.0,36.0,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,0.0,0.0,3.6109179126442243,1.0,0.42857142857142855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.7142857142857143,7.0,1.0,0,4.0,7.0,0.75,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.0,0.0,0.0,0.0,0.07142857142857142,0.037037037037037056,0.025,0.020000000000000004,0.018518518518518517,0.020408163265306124,0.0,0.0,0.0,0.0,0.1923922902494331,21.836353346989743,34.97342453153384,43.67270669397949,5.4590883367474365,21.83635334804216,2.7755575615628914E-16,3.469446951953614E-17,-28.656407870242358,32.7162929366335,4.089536617079188,2.7902985670066807,20.23,138.4185777824279,4.0,3.295836866004329,3.8918202981106265,4.51085950651685,5.1298987149230735,5.75890177387728,6.385194398997726,7.016609683894219,7.645397699428633,8.27715777243181,66.91167671418455,2.70805020110221,0.0,3.6635616461296463,0.0,4.762173934797756,0.0,5.926926025970411,0.0,7.126890808898808,7.492760300922379,116.120115132,4.8383381304999995,14.83110795092203,1.8538884938652538,2.407741475461015,2.407741475461015,0.0,84.0,5.0,2.558,26.0,1.225086956521739,2.124259878495785,2.83835673884391,3.54240355590315,4.881352326469393,5.8522968692082715,7.143172415301426,8.09056126322277,8.83750387697716,0.0,78.47908308260868,69.97358886192467,66.9302689852737,87.16740974464285,105.48822778409954,118.69019103754275,120.52588651937734,49.96596852372841,8.97946953925692,0.0,273.36125480220323,308.3412099859166,304.46375615356146,397.8634423578913,487.83087224488435,548.4978845427289,551.5572066411019,424.7850266071944,274.70271191931334,0.0,9.161889003130431,15.473853761267199,20.180232960934283,25.468587520888978,35.01958545516696,42.36006920258114,52.16591131977996,60.818497464682004,59.374451647331476,0.0,2.0198737642722606,2.5522683351895377,2.6655229190673797,3.4473344080034027,4.319961069334377,4.889762610717255,5.062530455113396,4.270911447529777,3.929268270357113,0.0,178.45472587403864,332.8418455474312,473.61585380867217,584.4948995749204,820.5265040250968,991.3101568736694,1238.9394859306333,1474.2847006367365,1634.2104666858138,0.0,2.899336956521739,4.146271641546614,4.779620830390295,6.512730951980132,8.992704925230239,11.715046451540038,16.641020791046635,20.02247302048527,8.83750387697716,0.0,0.4353394173913045,0.5604546025651036,0.5936794784026238,0.7745405962463702,0.9868315803194909,1.147102106486256,1.2582364222788076,1.1553572066766495,0.9049603970024611,0.0,388.0843111650649,273.40183073398345,14.427585632764188,186.4764887056027,-131.37097258041953,-23.958885560397533,201.6078224594622,404.77280331440295,38.386471193161725,0.6754451595939398,0.4758449076155657,0.02511063343689963,0.32455484040605986,-0.22864590241797006,-0.04169947822021729,222.97803224025682,157.08597455262245,8.289525141363548,107.14208050776462,-75.48061108559341,-13.765836451591799,0.2976952220719476,0.561690383803443,5.209231805058524,21.419051615442637,518.9290599181253,55.63173995254236,0.9031751905715373,0.09682480942846246,470.1693137782043,21.68338796817057,7.775913610258753,633.5057870689745,25.169540859319913,8.588490946317261,721.0264856476587,26.85193634819766,8.967066820246602,2.966041241844327,2.966041241844327,1010.737322957673,986.6523384636375,47.4312315061627,1.0244108117470632,21.30953152305035,20.80174406467693,4.423954433484105,4.846860775831637,9.23584018552221,0.9055303241998944,4.897845711132669,6.07390491689931,4.189851995496963,24.437698670545263,9.321140303469054,0.09380858888394682,5.216149610847985,5.20546277741721,12.30747278149383,0.7599770473649781,2.0369933610577693,8.156202901536265,3.9000715357999556,2.8779636264933894,0.8507732361829996,2.8207099618270974,1.7075354615066176,0.0018642566885428975,8.726264553911027E-26,7.878204606468916E-70,1.3718355120297154E-135,4.607366191206605E-223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4309473020034394,6.200672168646184,0.36732369078668065,5.337835516735333,0.06817435889999657,0.023772779638076443,0.7086875663778585,0.19036117326678406,3.4574928950223476,0.023888009924037917,0.22383488203568006,0.5116302736654545,0.12544108007707858,1.1370970594186363,0.05365310100503583,0.5007066967900058,0.012831597886709673,2.0840131541207532E-4,9.75491325738618E-27,8.806884330088378E-71,1.5335469536336845E-136,5.150480742655299E-224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2717013428840378,5.964455294806019,0.9345639204301396,6.613897208957323,0.6906055499954027,0.019022898570236414,1.4150346816930177,0.7769166798788444,4.460085298591399,0.10339911847509213,0.3870447405090543,1.7204569312463902,0.537913753289477,1.3512425092764058,0.18489235995442233,0.6353821919051375,0.12624752659194888,3.610113103040006E-4,1.6898325306699394E-26,1.5256065576556776E-70,2.6565459488815137E-136,8.922119221242635E-224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.846124884316982,6.200428507780706,4.439657391881238,22.588042680626106,8.306706921832792,0.09139529056834246,5.554742351944619,4.743801452061198,12.185274415373712,0.6898886090266853,1.9074970495243295,7.610192270317653,3.5423466282147844,3.1208353607384116,0.7908410852713114,3.003750985796722,1.524187825648884,0.0023415751159898087,1.096051219870581E-25,9.895317424728095E-70,1.7230763256519124E-135,5.787022961616669E-223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8073529778791302,5.874707403026991,1.2454325249581988,8.2275030051826,1.4938745969756133,0.021861029056609263,1.7884196872374694,1.3093628308017062,5.223289842654498,0.17898527813655937,0.563329868120019,2.6429187638025082,0.9273642269863824,1.448650274392945,0.2843280778556753,0.7528641208493158,0.2724677460251912,3.5746877790000293E-4,1.67324999849338E-26,1.5106355949289344E-70,2.630476940339954E-136,8.834565380028138E-224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.095488212593002,6.154188977677888,5.564856496661875,33.20891616240512,13.585772191246082,0.13109122594017297,6.781224701476026,7.0903800652119235,15.795288219831427,1.0478976709713643,2.7310294851574572,10.502671558426455,5.368387291353417,3.5673579782896185,1.0853157321009375,3.851204807937291,2.4902960218807904,0.002722763352682193,1.2744786436142588E-25,1.1506187394316403E-69,2.0035778789790408E-135,6.729099006483157E-223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.446299697129029,6.8684002101311465,5.442598181406228,14.291461639281783,3.781534884593318,0.0944679075916832,6.9521865095290885,2.5127935223132094,11.682266213239547,0.35657622023420593,1.3480005347268194,5.062602325553674,1.8373952540759881,4.57852908293386,0.4700532128699234,4.44118201261865,0.7070374304983731,0.004529678844917531,2.1202659329337497E-25,1.9142083919850092E-69,3.333220169725093E-135,1.1194757522435882E-222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.131448218216395,0.8054486879714395,0.48260375625000007,0.8632568232244189,0.08550863966529873,0.5624243090436161,0.6538861295174501,0.58332221258424,9.419500662437835,10.862444314815349,23.442741049216643,0.7948852348366284,1.799632651145306,8.611482394057896,0.3080964675113256,0.10047115478985223,0.9547045058996142,0.03415684690800508,0.6307700454568588,0.09566398794646243,0.0252819114975,9.020050016359074,3.549327694106226,12.835944493514155,0.9320567588494213,0.7517159449008213,7.8206843898354315,0.5210037669263423,0.26041562170728166,0.9091595022848359,0.0605670171325307,0.5206090988231223,0.27375459784267037,0.16984829229209084,8.602103778469054,6.24691193447769,15.910106774692245,0.8637392534272537,0.9642119889578836,8.323065464488883,0.7830421623665331,0.466553963896314,0.8694619971241753,0.08179983747916465,0.5891464457949105,0.6175250094550762,0.5451686653799466,9.572661590751729,10.76580178780744,23.379140742988806,0.8041929956862629,1.7518401206299332,7.63102868690286,0.6167480370888963,0.3334582873612802,0.8892692807978052,0.07187171033923836,0.49575517606941355,0.3834879373027495,0.2784903489795269,8.581235011353035,7.456711464536917,17.60734188347699,0.8339039211967078,1.15773346235169,8.233326449363098,0.8373914428018892,0.5080519045416614,0.8595390247496982,0.08742160638308681,0.5765311358455676,0.7063636061733876,0.6464624239122203,9.578769796706649,11.502912615165666,24.58445496278461,0.7893085371245473,1.9293571659311755,8.349613264807118,0.7845517280601015,0.4679794,0.8695571450695406,0.08170588734771492,0.5928922304672728,0.6197893446881912,0.5485050006301759,9.60214439286722,10.825304568400977,23.493043262047546,0.8043357176043109,1.76118657578564 +UMLCN0040,L,1-decanol,CCCCCCCCCCO,Alcohols,,C10H22O,NREL (2014),CFR,PubChem,,50,0,-2.7014000000000014,7.2975619600000075,36.4683,33.071445999999966,0,0,33,11,22,0,10,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1720.9626189999976,1760.9169179999992,1850.7930529999976,1686.5503719999954,1489.7936429999959,1293.0369139999964,1096.2801849999971,899.5234560000002,702.7667270000002,5135.402171938115,6605.864192226146,8587.888332572265,8575.769809406904,7568.971464451768,6562.173119496646,5555.374774541525,4548.576429586405,3541.778084631285,236.56308400000015,236.83996800000003,440.391932,592.4978800000001,529.6129799999997,466.72807999999964,403.84317999999985,340.95828,278.07338000000016,38.31368790667802,50.35863849600001,72.37011461018798,77.57619870595991,68.55466984656404,59.533140987168096,50.51161212777208,41.49008326837606,32.46855440897998,5521.583191235979,4695.25031189205,9575.73536790849,14014.145077645862,12535.189922607267,11056.23476756867,9577.279612530074,8098.324457491478,6619.369302452881,82.25,69.0,109.75,129.5,117.25,105.0,92.75,80.5,68.25,52.150382393939324,55.028653687499975,30.340869721311435,20.077980619047565,19.863915239999944,19.59146839393934,19.232985701754334,18.740072000000005,18.019659666666673,155.61824763448834,206.43325600706706,140.78505463233222,102.09249773103457,100.91961952602357,99.42686544691888,97.46271534283377,94.76200894971676,90.81482268285346,7.168578303030308,7.401249000000001,7.219539868852459,7.053546190476192,7.061506399999995,7.0716375757575705,7.084968070175436,7.1032975,7.130086666666671,1.1610208456569098,1.5737074530000004,1.1863953214784915,0.9235261750709514,0.9140622646208538,0.9020172876843651,0.8861686338205629,0.8643767347578346,0.8325270361276919,167.32070276472663,146.72657224662657,156.9792683263687,166.83506044816502,167.13586563476358,167.51870859952533,168.02244934263288,168.7150928644058,169.72741801161234,2.492424242424242,2.15625,1.7991803278688525,1.5416666666666667,1.5633333333333332,1.5909090909090908,1.6271929824561404,1.6770833333333333,1.75,0.2469487036295462,-0.1004999904550258,-0.042514463080825855,0.015331398679556962,0.001331662734764998,4.669512584627028E-5,-1.3246480924116247E-5,-1.1281241266606484E-4,-3.727855978525006E-4,961.7462182424235,-67.15739005326122,-454.0599483269068,5.0997181707987735,4.96827896418727,4.836839757575881,4.705400550964377,4.573961344352874,4.442522137741371,1566.919921982583,-75.33551423004138,-755.3990355398985,-11.148974065184948,-11.433673854953927,-11.718373644723133,-12.00307343449234,-12.287773224261546,-12.572473014030582,1.1598402424242413,-0.07724217447199089,-0.1865398420569316,0.0055930798898058435,-0.0012206721763096656,-0.00803442424242512,-0.014848176308540545,-0.02166192837465597,-0.028475680440771395,6.949992823922972,-0.21574451535619368,-3.1473064097918355,-0.11592727753168058,-0.12215392215978021,-0.1283805667878803,-0.13460721141598037,-0.14083385604408,-0.14706050067217996,38.130881807322915,-0.9884498249338795,-16.736299865501255,-0.7447829704558749,-0.790724995765791,-0.8366670210757071,-0.8826090463856108,-0.9285510716955144,-0.9744930970054181,24.909090909090928,-1.942148760330578,-3.074380165289255,-0.04132231404958567,-0.24793388429751936,-0.45454545454545303,-0.6611570247933867,-0.8677685950413203,-1.074380165289254,0.007483294049380188,-0.0031406247017195564,-6.969584111610796E-4,1.8251665094710668E-4,1.7755503130199973E-5,7.075019067616709E-7,-2.32394402177478E-7,-2.350258597209684E-6,-9.558605073141042E-6,29.143824795224955,-2.0986684391644133,-7.4436057102771604,0.060710930604747304,0.06624371952249694,0.07328545087236182,0.08255088685902416,0.09529086134068487,0.11391082404465053,47.48242187826009,-2.3542348196887932,-12.383590746555713,-0.13272588172839223,-0.15244898473271903,-0.17755111582913838,-0.21058023569284806,-0.25599527550544887,-0.32237110292386106,0.035146674012855796,-0.0024138179522497152,-0.0030580301976546164,6.658428440245052E-5,-1.6275629017462207E-5,-1.2173370064280485E-4,-2.604943212024657E-4,-4.5129017447199937E-4,-7.301456523274716E-4,0.21060584314918096,-0.006742016104881053,-0.05159518704576779,-0.0013800866372819117,-0.0016287189621304028,-0.001945160102846671,-0.0023615300248417607,-0.002934038667585,-0.003770782068517435,1.1554812668885732,-0.030889057029183733,-0.2743655715655943,-0.008866463933998512,-0.010542999943543881,-0.012676773046601622,-0.015484369234835278,-0.019344813993656552,-0.024987002487318413,0.754820936639119,-0.060692148760330564,-0.05039967484080746,-4.919323101141151E-4,-0.0033057851239669247,-0.006887052341597773,-0.011599246049006784,-0.018078512396694172,-0.027548209366391126,-0.41968479134929654,-0.09313524319130637,0.024389880945841467,0.002372685479554367,9.454418095735133E-5,-3.1055094273186595E-5,-3.140673855258096E-4,-0.0012773258688040922,-0.07201074168920572,-0.25540936244911655,0.002083149038649671,0.002272993335224503,0.0025146133490470757,0.0028325344198661816,0.0032696758922424528,0.003908574967253926,-0.04958118660679951,-0.26080368811653987,-0.0027952635202283353,-0.0032106404581380057,-0.0037393020154776577,-0.004434909327766674,-0.005391369382164071,-0.006789272538590944,-0.06867841751873305,-0.08700766953186136,0.0018944690009101747,-4.6307736007990345E-4,-0.0034635909104308886,-0.007411635055629539,-0.012840195755277681,-0.02077424600860958,-0.03201248362375872,-0.2449845943221089,-0.006552936122975175,-0.007733493704525154,-0.009236021535588794,-0.0112130318396199,-0.013931421007662627,-0.017904451330186654,-0.02673263333152978,-0.23744700968142332,-0.007673394790617175,-0.009124336538950204,-0.010970989673192239,-0.013400796428773678,-0.016741780717698156,-0.021624757755357008,-0.08040602189781014,-0.06677037214311349,-6.517205422314732E-4,-0.004379562043795594,-0.009124087591240839,-0.015366884364195107,-0.023950729927007225,-0.036496350364963404,1.3878148435994138,0.8520568980986957,0.6188245366236417,0.6927046714163655,0.764666962563239,0.8566036241822701,0.9831239737279952,1.1686084727395298,1.4468579970534894,1.381605101469388,0.9073987899442848,0.9088678069467626,0.9107374649499159,0.9131975412698543,0.9165801462097697,0.9215239534296461,1.5462090783806923,1.465744487193095,0.954942926301372,0.9469333053313561,0.9367392422786087,0.9233260014197302,0.9048827952387727,0.877927340051219,1.056328238309101,0.9003749907472232,0.6382645861930474,0.697407680598018,0.7726807098407081,0.8717241693705633,1.007908926224114,1.206948186240842,1.5760170887710832,1.4731604762393113,0.959464136973043,0.951029146144976,0.9402937032728906,0.9261681205464626,0.906745444297624,0.878358455933937,1.5783077947500064,1.46726687941251,0.9562791865183984,0.9486883158790373,0.9390272077925778,0.926315223468289,0.9088362450223914,0.8832900457553103,1.0638686131386854,0.8582027043197313,0.6155717761557173,0.6808759124087586,0.7639902676399022,0.8733512613650909,1.0237226277372256,1.2434961632041914,81.98870470957344,41.11935235478671,65.67783744373831,82.1932501641189,7.472113651283535,41.11935235478671,0.2499999999999858,0.017681550463524154,0.0016074136785021959,-4.438756882688715,117.6589745642685,10.696270414933501,5.24456943356862,81.99246206264223,41.12086382087046,65.67971237935873,82.19640662735935,7.4724006024872125,41.12086382087046,0.24926557909869018,0.017630575433865037,0.0016027795848968214,-4.4419327079979585,117.78628855990321,10.707844414536655,5.24575905536852,85.36766230527385,42.4843339136079,67.39833768700323,85.04121227777182,7.731019297979256,42.4843339136079,-0.3989944780580643,0.02966178718495016,0.002696526107722742,-3.869685257193481,98.45344362710927,8.950313057009934,5.048542161201294,81.99640559905333,41.12245019963614,65.68168030956596,82.19971952650519,7.472701775136836,41.12245019963614,0.24849480021894976,0.017577070849922938,0.0015979155318111761,-4.4452760208209465,117.92051519707515,10.72004683609774,5.2470118772174965,89.03585278005819,43.976779257859505,69.35109075210293,88.1503392910534,8.013667208277582,43.976779257859505,-1.0822942643391826,0.08495776544418426,0.0077234332221985695,-2.7121611254137514,72.16288332115809,6.560262120105281,4.706818415518139,82.38282241289242,41.27797829938534,65.87495286604239,82.52447765588374,7.502225241443975,41.27797829938534,0.17313418587825424,0.012315933648663624,0.001119630331696693,-4.836547579978372,135.12183677035154,12.28380334275923,5.3967945526332635,83.9491843180021,42.22898345810238,68.0950577849277,84.37342674224448,7.670311522022226,42.22898345810238,0.6666666666666075,0.03351367127069649,0.0030466973882451354,-3.7353820083443336,93.25963982118152,8.478149074652865,4.988926172207391,0,11.99624948761605,15.997943557490272,-0.4217222290666315,0.06973423326315306,3.943204878987376,7.43572430148682,10.0,32.0,32.0,32.0,10.0,0.0,0.0,0.0,0.0,0.0,24.050553999999995,3.5188373145154035,3.359971636897713,3.1093021328974673,2.788324521596755,2.4269906494194067,2.0616199426236212,1.7293587292047272,1.4589248664589285,1.9300096927990857,1.8070496663622593,1.6182527263468423,1.3886510712752937,1.1506661934488709,0.9354637115295454,0.7625765693921509,0.6365879128779423,3.5436008186724015,3.377730957767733,3.1186834993870836,2.7918700741361446,2.4310314404964783,2.0748302073186866,1.7598255193704957,1.5107166987801648,1.8721570086923045,1.748062691210051,1.556123860244625,1.3194444074335085,1.0690444776638455,0.8371252888339117,0.6466484152694943,0.5053477702621696,3.6708398935878006,3.526782128194933,3.3017722187792944,3.0187732444556947,2.7093218761135467,2.409596886244937,2.1516360732571136,1.9533001500378193,1.6923991297849559,1.5428416496334902,1.311527978120877,1.0248268744726639,0.7173436195985137,0.42638803092863825,0.1820394854222498,0.0017235053156315898,3.563778761494551,3.3981086981905464,3.1400006556772486,2.8157488637685137,2.4601528319167825,2.112609687914148,1.80923664443609,1.5728000856447018,1.835481999729534,1.7112087126210633,1.5174663419422274,1.2758609942290822,1.0166764456603161,0.7730356011993367,0.5703452160587238,0.41869254084228213,3.7298655550867736,3.5899905504245595,3.372845454167204,3.1024235685907158,2.810950655633893,2.5338709666678603,2.300170315487596,2.1234792216896383,1.636800584737596,1.481990966993544,1.2415620311594877,0.9413174028944671,0.6153841127127333,0.301672178929465,0.032975108287083804,0.1727862084845459,4.508008964414918,3.581682598322753,3.4120646170846647,3.1374760418106784,2.7952660281894115,2.4359894430974367,2.108835407390298,1.8468147922401101,1.780385846685799,1.6175164159396602,1.3754032460420822,1.0918265468582378,0.8063121954282525,0.5507390753071264,0.344836982591651,0.19476834937698373,0,0,0,0,0,2,8,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.36396103067893,5.414213562373096,3.474873734152917,2.2071067811865475,1.3838834764831844,0.8535533905932737,0.5151650429449552,0.30177669529663687,0.7603600936980844,0.5414213562373096,0.3860970815725463,0.27588834764831843,0.19769763949759778,0.1422588984322123,0.10303300858899105,0.07544417382415922,7.811174626178888,5.023334547203386,3.198480531902896,2.0116672736016925,1.245686875358174,0.7558336368008464,0.44606674238245003,0.2529168184004232,0.7101067841980807,0.5023334547203386,0.35538672576698843,0.25145840920021156,0.17795526790831057,0.12597227280014106,0.08921334847649001,0.0632292046001058,16.67490494606147,32.09686817188638,30.329411764705892,30.759999999999987,19.264338922155694,254.7226323353294,0.5053001498806506,0.9726323688450418,0.9190730837789665,0.9321212121212117,0.5837678461259301,7.718867646525133,3.119400000000003,49.69580000000003,41.63839022652778,66.32546526588186,83.27678045305557,7.570616404823234,41.63839022652778,5.551115123125783E-17,5.046468293750712E-18,-41.17294252526076,2000029.9561581695,181820.90510528814,15.959539988140248,150,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,9.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6419678060235419,0.0,8.507012641489101,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6419678060235419,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.5580321939764583,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.241826014343601,0.0,10.751161344167297,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.507012641489101,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6419678060235419,0.0,8.507012641489101,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6419678060235419,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20826446280991737,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.241826014343601,0.0,0.3700000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.507012641489101,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6419678060235419,0.0,8.507012641489101,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6419678060235419,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.241826014343601,0.0,1.3984375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.507012641489101,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.5,1.9545454545454546,0.6419678060235419,8.507012641489101,0.20826446280991737,0.3700000000000001,6.150528606085072,1.13,2.5070126414891023,5.497677311665407,1.13,2.5070126414891023,5.497677311665407,5.33333,0.48485,0.0,0.01515,0.45657,0.7697,0.42571,0.45657,0.73056,0.03085,0.0,-0.03085,0.03914,0.62992,0.08437,0.0,0.15625,0.0,0.0,5.25,0.47727,5.25,0.47727,0.0,0.0,-5.25,-0.47727,0.0,0.0,11.42946,1.03904,12.33112,0.90166,0.08197,5.07596,0.46145,5.41421,0.33826,0.03075,-2.1E-4,-2.0E-5,-2.1E-4,-2.0E-5,0.0,10.01,1,1,1,1,1,1,1.0,1.064794829694994,1.5220103048628788,2.430313437343593,3.0283539674499442,3.127390333636028,2.8715082933156206,35.138229379934806,50.226340060475,80.20034343233857,99.93568092584816,103.20388100998892,94.75977367941547,0.21108478134345593,0.30172311458020024,0.4817850032805685,0.6003404761393011,0.6199734318209398,0.5692474111600184,3.9795992896634593,3.5223838144955746,2.6140806820148605,2.016040151908509,1.9170037857224256,2.1728858260428328,0.21295896593899882,0.30440206097257577,0.48606268746871856,0.6056707934899889,0.6254780667272055,0.5743016586631241,9.101528875984172,12.633229630487289,16.376702041927953,17.897064847438998,17.712161199824905,15.44176153625536,41.1198975147443,35.713498228236915,30.67816942925512,27.427137914282177,28.200693257482694,32.815504944194686,11.0,10.0,10.0,11,0,10,2.45,1.5763000000000014,0.0,2.170156536901524,0.0,0.0,13.18512473533854,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.385,0.375,0.449,0.20500000000000002,5.613999999999999,9.0,8.0,7.0,6.0,5.0,4.0,3.0,2.0,1.0,66.0,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,4.204692619390966,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.8,10.0,1.0,0,5.0,10.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.0,0.05,0.02469135802469137,0.015625,0.01142857142857143,0.009259259259259259,0.00816326530612245,0.0078125,0.008230452674897117,0.010000000000000002,0.0,0.14521040669354163,41.63839022652778,66.32546526588186,83.27678045305557,7.570616404823234,41.63839022652778,5.551115123125783E-17,5.046468293750712E-18,-41.17294252526076,2000029.9561581695,181820.90510528814,15.959539988140248,20.23,190.30653166002787,4.459431618637298,3.6635616461296463,4.290459441148391,4.9344739331306915,5.579729825986222,6.2324480165505225,6.884486652042782,7.5406215286571525,8.195609567288775,8.853236764745898,77.17462737568007,3.044522437723423,0.0,4.04305126783455,0.0,5.176149732573829,0.0,6.371611847231857,0.0,7.601402334583733,7.954372272531867,158.167065324,4.792941373454545,20.82876222801817,1.8935238389107427,2.413404551509085,2.413404551509085,0.0,220.0,8.0,4.265,38.0,1.2319999999999998,2.1350824928427774,2.8510234982428297,3.572333926428064,4.914178516511435,5.91499340015909,7.234531445365078,8.317247884507669,9.605741027193016,10.690007341912457,79.53165041915621,72.21890055786577,70.28243753257455,92.94368331939077,115.56197819323334,136.6970236847268,156.15115535629738,171.91415377325634,181.20451748344354,175.12201185397421,280.89277214580267,320.80787758876005,321.6323727763325,428.5636557621988,540.8919840485269,644.766097545871,741.3885983740873,817.5038442123495,859.8828689647281,818.1834027487258,9.147112849125,15.46242482181294,20.176180636746327,25.496150009306874,34.93470913375764,42.20665038897726,51.6336977440215,59.64547650283914,69.22197701092226,77.99972669798984,2.082369674388812,2.654319671428851,2.80128850494727,3.69508309959463,4.744207019449758,5.665035105678742,6.585363808588464,7.298780050770856,7.780711297222504,7.551394826148269,178.3229525532764,331.88709992447536,472.0979270374021,582.8545930067501,814.1360485396249,979.8523308772673,1210.1904557878945,1398.8491928771493,1636.440284254399,1855.031313362224,2.7181874999999995,3.926303304971047,4.534038563660471,6.05246693847541,8.163770064932669,10.172071605369664,12.613338724955943,15.231869712145855,18.61822543871488,24.640623337845692,0.4432996593750001,0.5752577411864891,0.614114363321726,0.8118323307942135,1.0498186958149605,1.261991389296072,1.4823675242331114,1.6674751925374722,1.824193866685146,1.8732025878843725,525.1174083970747,453.724219004825,22.345661529646875,188.92826451603435,-163.24221573064912,-24.197335540964193,336.1891438810403,616.9664347354741,46.542997070611065,0.7354115126203912,0.6354274470339628,0.03129444288694132,0.26458848737960866,-0.22861593021727303,-0.03388765797325786,374.9578132372771,323.97981527627513,15.955822923625279,134.9034097686576,-116.56239777921829,-17.27800273905207,0.24272340216039742,0.45796973148800246,9.14969414692002,17.607318298228197,637.9032353797498,76.14243753335931,0.8933647518334238,0.10663524816657624,656.4140212166542,25.6205780812349,8.690790541900089,877.8727109981501,29.628916804334075,9.575111714860343,1057.2121371316525,32.51479874044514,10.187181568900728,3.396926022557686,3.396926022557686,2571.0391537966048,2536.8896197709228,67.48348029433146,1.0134611824493829,38.098793105852444,37.592750236149556,5.4974736840555805,6.901696073057126,12.933903917849165,0.8740181805948541,6.571249031749024,8.919456840029211,5.078849514877583,39.3563319628863,15.245689249517111,0.0938555105860154,7.599088834780851,5.6195451958339095,25.400668400520345,0.8524123028134625,2.0382115935090233,21.803881486976664,4.254302546926546,20.967770862220313,1.3544246686880947,1.604969498820699,7.366237458456355,4.4246011046008125,9.668640000459742,2.14356005397223,3.062897495998234,0.48647203459055793,4.363741607854658,0.11388823605846776,1.2921686435270643,2.417807311530594E-14,8.726079562499684E-50,6.074248501409017E-107,8.155335776608956E-186,2.1118693304330627E-286,0.5713844468893673,9.046097775716062,0.43367448711040074,8.378013314411954,0.11037339130269387,0.02381931736271643,1.076364767749248,0.19327865605517716,6.6943493570629125,0.024539120991009775,0.225053110142923,1.4487199335392926,0.12793595979371658,4.587376220893354,0.057200360040457365,0.4262270185720857,0.3083729499142332,0.11428868605889238,2.111158825594635,0.09314001888276177,0.6432611189302004,0.038332671428439,0.2019134984968456,0.033869356459963994,0.14444294972854665,2.7028175058575644E-15,9.754706459258565E-51,6.790278574409725E-108,9.116683615788741E-187,2.3608156734230102E-287,1.7250495659157015,8.809889578801407,1.1541928907487635,10.457512071229296,1.1266464531252223,0.019069461952974837,2.194024343301275,0.8073107257009672,8.94390783323098,0.11018355393001365,0.38826296950300127,4.8451239584292,0.5639123069776197,7.027267030436516,0.22185752767982375,0.505472190754523,1.1900359945840706,0.5382136735589689,3.2840059247731075,0.35783209877977223,0.7248802505108409,0.12444795218710852,0.6287522296849873,0.024366078559876776,0.25022035465798265,4.68206003001005E-15,1.6897967072654536E-50,1.1762722358049147E-107,1.579272735625881E-186,4.0896141447951836E-287,6.425681114119677,9.045966646086107,5.27311336930251,36.205955419623734,13.585698335272875,0.09144217011304065,7.8142925887384935,5.112742165939975,24.404467637996778,0.772246813932769,1.908715281709646,20.335781190705635,3.857960081907005,20.04467590896675,1.2395854446328327,1.5988773733471158,6.737971314516609,3.999461243612164,9.282929298037182,1.9636104769222311,2.9786566810852992,0.45723327212713305,4.263844582124367,0.11244533965281522,1.6229910488901638,3.0368557323046046E-14,1.0960279842626289E-49,7.629481593911218E-107,1.0243404461534716E-185,2.6525862716263784E-286,2.475504846362793,8.720152722845102,1.574629538850374,13.104022719014026,2.439852345586872,0.02190762570645182,2.8497759629159747,1.3753801361365798,10.790236930950927,0.1937217767345176,0.5645480977226606,7.390113473880329,0.9838365576397405,8.87897958668448,0.3646213596760813,0.6137821846988074,1.960850995017988,0.9645923484756441,4.152470981782067,0.5852138956520934,0.910458667979877,0.18513142492650653,0.970095429056063,0.026162855094398065,0.24776983859805,4.636114405404606E-15,1.6732145266283185E-50,1.164729333271906E-107,1.563775140166703E-186,4.0494822637271237E-287,8.116365069462086,8.999798811224645,6.66538050567185,53.59473246767027,22.22463066149181,0.13113832490830524,9.621036075991244,7.694276879315303,32.43177226615528,1.1827055363632937,2.732247718593358,27.727884952500784,5.884999929088638,26.28049054525153,1.8198440097389732,1.9900820002170372,9.923161312401945,6.181869195094004,12.036336024986086,2.8716270829904467,4.063205319170741,0.5972471643616628,6.10883609564662,0.15988058113169057,1.8872235946263862,3.531228928349504E-14,1.2744516254552801E-49,8.871493573481043E-107,1.1910939915445289E-185,3.0844038054456695E-286,5.61487742290607,9.72448572129732,6.126819383514943,22.44985733816051,6.354087108512159,0.09714172100329814,8.690613721882173,2.7551096385695146,19.890138755551355,0.40497845609595506,1.386670981804058,13.110513278193253,2.0359926555752006,15.800889112031914,0.6927762891198741,1.7224200527409852,3.863748249752821,2.0666822580390924,7.857473889525105,1.10348480293102,2.90861294611156,0.3893580930585783,4.047037058311514,0.16166977530617946,3.2269418916239045,6.03822845751657E-14,2.1792498387095985E-49,1.5169819358357585E-106,2.0367123687681058E-185,5.274179389218887E-286,15.464037891477188,0.8219013427431723,0.5011383681818183,0.9211870140675548,0.048960358807512795,0.560483494702692,0.6808661213640779,0.6060521047195201,16.787077602402178,20.871422519381838,44.02792543653251,0.8817805211013321,1.8474017207862898,16.157210188837993,0.3212201026904511,0.10531551744764181,0.974279898820734,0.01936957466609191,0.6119892959447564,0.10361862772738875,0.026765748117143023,16.583745808976087,6.925455128926957,24.055790655177802,0.961419848231101,0.7423736717892881,15.014826572821859,0.5291617175428298,0.2686825854780823,0.9495439885339175,0.033464411021874696,0.5283941755486259,0.2822346489337014,0.1742102453390095,15.81267087584277,12.121670380378356,30.069097323102806,0.9243159828008762,0.9848390698213368,15.740987917386292,0.8030250321679553,0.4863438183394225,0.9242899683148067,0.047152566626311156,0.5807512585547482,0.6500664993936099,0.5707967019855161,17.030356767893668,20.686485757257586,43.86442649076389,0.88643495247221,1.8016144599338744,14.747026978705492,0.62259435070618,0.3427615080110776,0.9385608237333656,0.03962443870851495,0.5097107247561193,0.3902450726673754,0.2835167648429507,15.71238283742275,14.449530271082033,33.30894899493876,0.9078412356000484,1.1834725622664455,15.611565704321125,0.8564980546268037,0.5286603927628831,0.9185043873733596,0.050391948882725884,0.5712313822789539,0.7394755984989221,0.6744475841507301,16.99672415171081,22.077288710279184,46.142876701730174,0.8777565810600395,1.9851545649286062,15.787834037638348,0.805057316729374,0.4880342644191257,0.924296164622,0.04713194909319862,0.5842127170899238,0.6533623892478873,0.5747715770611245,17.08092561878685,20.808010834025126,44.09190627536013,0.8864442469330002,1.8123466833989355 +UMLCN0041,L,cyclohexanol,C1CCC(CC1)O,Alcohols,Cyclic,C6H12O,Marquardt (2015),IQT,PubChem,,16.3,0,-1.9507000000000012,3.805230490000005,20.520500000000002,19.363515999999994,0,0,19,7,12,0,6,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1133.7454949999988,1207.0536749999997,1549.5830399999988,1193.5357649999976,438.4496370000004,58.585968,2.032128,0.0,0.0,3130.497120631501,4187.947323272973,6022.934943949664,5610.501657843478,2868.3699037367614,713.9362996544756,62.16748886186053,0.0,0.0,139.21638,143.0421,272.07988800000015,392.4848999999998,301.6909080000001,120.11846399999996,13.436928,0.0,0.0,22.711958858187984,30.856495396000007,47.78143164024504,49.24638638582907,28.625197690375963,8.407660949886003,0.8892258096979999,0.0,0.0,3165.2292466334884,2783.641766493051,5699.043927584096,8986.01866950343,7322.6972040492765,3112.3382294446865,369.83530404849796,0.0,0.0,61.02777777777778,43.33333333333333,75.66666666666669,104.83333333333334,76.16666666666666,27.5,2.0,0.0,0.0,59.67081552631572,63.529140789473665,41.880622702702674,22.102514166666623,10.439277071428581,3.4462334117647058,1.016064,0.0,0.0,164.76300634902637,220.41828017226175,162.78202551215307,103.8981788489533,68.29452151754194,41.99625292085151,31.083744430930263,0.0,0.0,7.327177894736842,7.528531578947368,7.35351048648649,7.268238888888885,7.183116857142859,7.065791999999997,6.718464,0.0,0.0,1.1953662556941045,1.6240260734736847,1.291390044330947,0.9119701182560939,0.6815523259613324,0.49456829116976486,0.44461290484899996,0.0,0.0,166.5910129807099,146.5074613943711,154.02821425902962,166.40775313895242,174.34993342974468,183.0787193790992,184.91765202424898,0.0,0.0,3.2119883040935675,2.2807017543859645,2.0450450450450455,1.9413580246913582,1.8134920634920633,1.6176470588235294,1.0,0.0,0.0,0.22180798962363557,-0.10683988034555418,-0.003066199673697014,-0.0038229678387788606,-0.008157107784205253,-1.9389806557454196E-4,0.011176058895992009,0.0,0.0,605.7336044210524,-17.003362736841634,-198.62511181994415,-209.97232840720255,-47.91358956232749,134.29048183379467,36.3571084819944,0.0,0.0,916.6964703541342,30.6316959440607,-407.6899167266612,-371.5236714475858,-53.6248768164355,289.383242245813,54.47529162374273,0.0,0.0,1.062550736842105,-0.09490989473684111,-0.05496701385041487,-0.19291283102493062,-0.1579639445983385,-0.05237318559556847,0.02185150138504132,0.0,0.0,4.06328756333242,0.28116114378947665,-1.962821579162133,-1.7050037932740942,-0.22596939532325,1.3711436235026735,0.20984621880111323,0.0,0.0,22.472433534563987,1.7384374497500135,-10.918925054620967,-9.414270568526973,-1.2758186038220112,7.547051901455979,1.087308108481997,0.0,0.0,23.13157894736844,-2.56578947368421,-0.7079870729455213,-3.776008002462298,-3.416589719913821,-1.4393659587565413,0.3399507540781778,0.0,0.0,0.011674104717033451,-0.00562315159713443,-8.287026145127065E-5,-7.079570071812705E-5,-1.9421685200488698E-4,-1.140576856320835E-5,0.0055880294479960044,0.0,0.0,31.88071602216065,-0.8949138282548228,-5.368246265403896,-3.8883764519852324,-1.1407997514839878,7.899440107870275,18.1785542409972,0.0,0.0,48.24718265021759,1.6121945233716157,-11.01864639801787,-6.880067989770107,-1.2767827813437025,17.022543661518412,27.237645811871364,0.0,0.0,0.05592372299168974,-0.00499525761772848,-0.0014855949689301317,-0.0035724598337950114,-0.0037610462999604407,-0.0030807756232687335,0.01092575069252066,0.0,0.0,0.2138572401753905,0.014797954936288245,-0.053049231869246836,-0.03157414431989063,-0.005380223698172619,0.08065550726486315,0.10492310940055662,0.0,0.0,1.182759659713894,0.09149670788157965,-0.29510608255732346,-0.17433834386161062,-0.0303766334243336,0.4439442294974105,0.5436540542409986,0.0,0.0,1.2174515235457073,-0.13504155124653738,-0.01913478575528436,-0.06992607411967218,-0.08134737428366241,-0.08466858580920832,0.1699753770390889,0.0,0.0,-0.4816773305904823,-0.0070986395496655365,-0.0060643366180218065,-0.01663655215645865,-9.770144126398338E-4,0.478668778758051,0.0,0.0,-0.028070694134747724,-0.1683853732040512,-0.12196640907570512,-0.035783379228089,0.24778113836525137,0.5702053312843124,0.0,0.0,0.03341530913959688,-0.22837906366265673,-0.14260040922283942,-0.02646336451601997,0.3528194337258705,0.5645437581161752,0.0,0.0,-0.08932269438625849,-0.02656466503760651,-0.06388093715301964,-0.06725314587012263,-0.055088886405623184,0.19536880071708077,0.0,0.0,0.06919548257590911,-0.24805908757514886,-0.14764122221906428,-0.025158015196306383,0.377146488932127,0.49062219878319824,0.0,0.0,0.07735866465357165,-0.24950638122770327,-0.14739963646019388,-0.02568284534804105,0.37534610337048463,0.4596487965885705,0.0,0.0,-0.11092150170648454,-0.015717082269983276,-0.05743643403231317,-0.06681775225574996,-0.06954575535181838,0.1396157249399569,0.0,0.0,1.338409522792515,0.6836903237778985,0.9006707620158675,1.1021683337929822,1.3301843395775157,1.3666260730900905,0.0,0.0,1.2295871539910828,1.2211910632553373,1.0555555555555567,0.8804020801633577,0.498640433344765,0.0,0.0,0.0,1.3405503289563376,1.4143759129675044,1.0555555555555545,0.7702099401194259,0.2264010285303483,0.0,0.0,0.0,0.9866355360170046,0.7605400894399997,1.0555555555555556,1.1382612084094872,1.1357041619528507,0.0,0.0,0.0,1.3805433594098395,1.477009214418787,1.0555555555555558,0.7335754194966431,0.13589221287405823,0.0,0.0,0.0,1.3847578159530645,1.4813537994131583,1.0555555555555551,0.730708463316725,0.12880914466485002,0.0,0.0,0.0,1.0125142207053464,0.7425206776742608,1.0517528336072128,1.141502789966953,1.1500702670146548,0.0,0.0,0.0,23.20941981985928,11.729709909929634,17.21208901921613,23.3879912484307,3.3411416069186712,11.729740436840238,0.24999999999998934,0.03584982350139965,0.0051214033573428065,-2.3298916446407545,25.290339411162208,3.6129056301660296,2.2612957369501965,23.212715537406,11.73099055825235,17.213957449989593,23.390762379619357,3.3415374828027655,11.73102104159706,0.2492655790986973,0.035718211814454615,0.00510260168777923,-2.332466209788696,25.2967165331794,3.6138166475970572,2.2614722242097276,26.179684696167353,12.890345109054659,19.07865049717415,26.1226854850162,3.7318122121451713,12.890354002944424,-0.3989944780580359,0.0949640468763332,0.013566292410904743,-1.647979839062686,38.87111857736895,5.553016939624135,2.562176065292005,23.21617460467661,11.73233470244777,17.215918918402753,23.393670890547277,3.341952984363896,11.732365140140868,0.24849480021893378,0.03558003655425557,0.005082862364893652,-2.3351793985540046,25.303419585050506,3.6147742264357867,2.2616576836451037,29.394257046591314,14.155981391126078,21.539963651217967,29.23964358025715,4.1770919400367355,14.155983847776795,-1.082294264339156,0.2353089889756973,0.03361556985367104,-1.0127990472507926,54.730365150191474,7.818623592884497,2.8016930738864656,23.555306536001474,11.864220360939893,17.410399499941793,23.678973811628836,3.3827105445184054,11.864246666616266,0.1731341858783093,0.021834133326871785,0.0031191619038388263,-2.6769965493284142,26.012772586734762,3.7161103695335376,2.2810113695124126,21.27047421680482,10.946145138145337,16.1138091967281,21.679988688989084,3.097141241284155,10.946221141448646,0.7430555555555571,0.08334081263109677,0.011905830375870967,-1.7393718315695896,24.01639424899575,3.43091346414225,2.225115683597652,0,11.9,15.994916136544774,-0.39248766647772415,0.06219336064067493,4.666372173393441,7.024271015304892,7.0,19.0,19.0,19.0,7.0,0.0,0.0,0.0,0.0,0.0,13.118483999999997,3.6080479615989667,2.877794114277064,2.7501294719455003,1.952549393265762,1.4567974870365574,1.237916259428046,0.8525319334211827,0.08392307051869143,1.9584930741757678,1.3728744165178632,1.3403084830508099,0.675732743394387,0.6662064014268072,0.5180395166657817,0.28462151866980884,0.0839230705186909,3.61325034608959,2.8408718519163028,2.792995693681243,1.7829155517712287,1.5561429069408637,1.3082836394997355,0.9409371422641983,0.2709139018929374,1.9152991906728276,1.3015277812551354,1.285229005047928,0.6628554042301334,0.522081791788306,0.39108451027494334,0.14612303122647397,0.2709139018929364,3.7387069393998518,3.0561533964153944,2.981537655322022,2.263265786417844,1.962846700475497,1.7929667446085915,1.492830490817057,0.9439184268026224,1.7437914113988828,1.0262274232711839,1.0189282736728762,0.13411459907313783,0.037619228519400125,0.1574929791941082,0.4529720131321772,0.9439184268026214,3.626911903252632,2.8501094397601188,2.824624263979154,1.7693481059259974,1.6278737503491436,1.3709584468556302,1.013772927656859,0.3992772455089822,1.8882753525017089,1.27968389403985,1.2285965048401606,0.648324957170378,0.425347018470172,0.29476569605791036,0.04342517517839626,0.3992772455089816,3.787207281089502,3.1153678570510697,3.0724805342736485,2.351296442153369,2.1415484939179588,1.9818833183907052,1.7015933081357961,1.2076448229620889,1.696516910599803,0.9628566386284727,0.9339036709558715,0.028400669193049403,0.13516428868844033,0.3405797865331354,0.6574564130733971,1.207644822962087,4.681938194563127,3.5678500765731447,2.913871993974992,2.686238368076943,1.8013047106416025,1.6538214023651774,1.3297463848468036,0.6792452830188686,1.777724793915966,1.1031915030944348,1.0547362533362883,0.21575878642782115,0.1481499321778605,0.06820542037428948,0.4267733967815727,0.6792452830188676,0,0,0,0,0,0,6,0,0,0.0,0.0,0.0,0.10206207261596577,0.10206207261596577,0.0,0.0,0.0,0.10206207261596577,0.04564354645876384,0.2886751345948129,0.0,0.0,0.0,0.12909944487358055,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.18257418583505536,0.19364916731037082,0.18257418583505536,5.112884175122363,3.393846850117352,2.7431821564919865,1.893846850117352,1.3067128222475324,0.9010475702906076,0.20412414523193154,0.0,0.7304120250174805,0.48483526430247886,0.3428977695614983,0.236730856264669,0.16333910278094155,0.11263094628632594,0.10206207261596577,0.0,4.560097770622321,3.0746954706748872,2.2918339472343705,1.5746954706748872,1.0810387176187244,0.7414718805693752,0.09128709291752768,0.0,0.6514425386603316,0.43924221009641246,0.2864792434042963,0.1968369338343609,0.13512983970234055,0.0926839850711719,0.04564354645876384,0.0,9.965765927132102,18.657683903860157,17.70196078431373,17.960000000000004,11.271566467065865,146.324051497006,0.5245139961648475,0.9819833633610608,0.9316821465428279,0.945263157894737,0.5932403403718877,7.701265868263474,1.3114,29.091799999999985,25.81164286158729,34.91599912277318,51.623285723174575,7.374755103310655,25.81164286159729,0.06330991500907035,0.009044273572724335,-1.9317993288185478,26.809138241687002,3.8298768916695716,2.3021199659948364,45,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5627777777777778,0.0,8.909166666666668,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5627777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8372222222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.888287037037038,0.0,0.0,0.0,0.03587962962962954,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.909166666666668,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5627777777777778,0.0,8.909166666666668,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5627777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24000000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0416666666666667,0.0,0.0,0.0,0.03587962962962954,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.909166666666668,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5627777777777778,0.0,8.909166666666668,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5627777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3304166666666668,0.0,0.0,0.0,0.03587962962962954,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.909166666666668,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.833333333333332,2.119047619047619,0.5627777777777778,8.909166666666668,0.24000000000000002,0.03587962962962954,2.853403194444445,1.2974537037037037,2.9091666666666667,5.818333333333333,1.2974537037037037,2.9091666666666667,5.818333333333333,3.33333,0.47619,0.0,0.02381,0.48772,0.80952,0.43333,0.48772,0.74583,0.05439,0.0,-0.05439,0.06369,0.58823,0.12606,0.0,0.1,0.15,0.0,3.75,0.53571,3.75,0.53571,0.0,0.0,-3.75,-0.53571,0.0,0.0,5.85307,0.83615,6.62679,0.77372,0.11053,3.11227,0.44461,3.39384,0.28157,0.04022,0.02016,0.00288,0.10616,0.01517,0.3157894736842105,7.01,1,1,1,1,1,1,1.0,1.1674367232867007,1.634064972420055,2.144023910757423,2.6947814605842733,2.80004461847901,2.7550576199383077,22.181297742447313,31.047234475981046,40.73645430439104,51.20084775110119,53.20084775110119,52.34609477882785,0.27482501045323093,0.3846734595278909,0.5047223390634952,0.6343755753967061,0.6591554610142469,0.6485651205721537,3.0804907901568845,2.61386254102353,2.103903602686162,1.553146052859312,1.4478828949645752,1.4928698935052775,0.27482501045323093,0.3846734595278909,0.5047223390634952,0.6343755753967061,0.6591554610142469,0.6485651205721537,10.299818506707174,13.026464513205822,16.349060954325243,17.340857436705694,17.010215045077413,16.964876021833547,25.718464457243332,23.58035940824464,20.121955425282998,19.587559830288363,20.07208680294777,20.135674707583597,5.142857142857143,2.34375,1.5,0,0,0,2.0100000000000002,0.9041000000000006,0.0,0.0,0.0,0.0,6.083643418932058,3.041821709466029,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.389,0.395,0.56,0.398,3.746,8.0,8.0,8.0,8.0,2.0,0.0,0.0,0.0,0.0,48.0,2.0794415416798357,2.1972245773362196,2.1972245773362196,2.1972245773362196,2.1972245773362196,1.0986122886681098,0.0,0.0,0.0,0.0,3.8918202981106265,1.0,0.25,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.14285714285714285,0,3.0,4.0,0.3333333333333333,1.0,0.44444444444444464,0.1875,0.1111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.14285714285714285,0.05555555555555558,0.0375,0.1111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.3470238095238095,12.170449634088957,17.878314744586095,24.340899268177917,3.477271324025417,12.170468520160021,0.011449771148557608,0.0016356815926510868,-3.128849875345018,28.15073608229993,4.021533726042847,2.336301451971036,20.23,108.7661344557612,3.807354922057604,3.4339872044851463,4.143134726391533,4.890349128221754,5.616771097666572,6.368187186350492,7.099201743553092,7.851271997109883,8.583542571957771,9.335650562941629,71.32209621867786,2.70805020110221,0.0,3.8501476017100584,0.0,5.209486152841421,0.0,6.652863029353347,0.0,8.12415060330663,8.388905171114706,100.088815004,5.267832368631579,13.676825320436384,1.953832188633769,2.4906965282222497,2.4906965282222497,0.0,42.0,5.0,1.3289999999999997,30.0,1.2164730025223272,2.0889999177514897,2.783547558024033,3.563394893857257,4.218019906733665,5.065958585080541,0.0,0.0,0.0,0.0,87.51719181853538,97.3840468342566,67.98498259112432,40.1166814882303,15.616618100174689,5.147338143791275,0.0,0.0,0.0,0.0,290.384400793449,361.54079802369205,304.73358172574257,247.59917922410096,181.16232631150703,157.46896195632058,0.0,0.0,0.0,0.0,9.180045050035018,15.443300766685795,20.350339727342266,25.790915188663217,29.98713375928886,34.035460379354554,0.0,0.0,0.0,0.0,2.094355494110413,2.8095208597718933,2.628377795294922,2.428274369080521,2.0974961598213517,2.2523905623573888,0.0,0.0,0.0,0.0,176.06091181620366,319.27744704876807,459.10200614788664,621.6985460202881,771.9859370056872,936.7851668051801,0.0,0.0,0.0,0.0,2.8146235028985798,4.442334841093621,5.65329270550204,6.845908327314812,7.1546954565627265,5.065958585080541,0.0,0.0,0.0,0.0,0.45263522707670406,0.6218723422391491,0.6102132717233146,0.5907063446994143,0.5247150423630331,0.5187541591122474,0.0,0.0,0.0,0.0,327.11100467217875,196.56705741697405,18.035631680612195,101.45415954979273,-60.96568235422346,-21.42712196247397,225.65684512238602,257.5327397711975,39.46275364308616,0.7632701674808887,0.45866317150118135,0.04208375571858379,0.23672983251911128,-0.14225533814653873,-0.0499973487144559,140.18838143614636,84.24179324253518,7.729443453048557,43.479718548459026,-26.127767670042324,-9.182918042651869,0.3496620290692387,0.6531211516954047,14.16322496168122,32.49446009653109,338.3071172907971,90.2580469311743,0.789394812116773,0.21060518788322694,532.238796673926,23.07030118299122,8.104051200479404,656.8271256375456,25.628638778474865,8.692613299587514,849.0369678611981,29.13823892861746,9.469103569924085,1.2926182357226808,1.2926182357226808,284.69579624180955,205.8769762325707,108.59090532615842,1.3828442667634697,2.6217278084818516,1.8958952005622252,3.4110716317619945,3.6519497693250784,5.137365530894454,0.40674594542517406,3.7828634513276844,4.05749343626697,5.735711207937687,9.530285277280507,14.415280368619758,4.19612035972166,8.951644219133476,2.5437758466297873,2.0136600555006137,1.944760774864513E-6,4.81379300507129E-33,2.2981923819873005E-81,2.116222145308695E-151,3.7584781832980503E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.33794249268540444,4.183947967293725,0.47789655960746963,3.2735353672424607,0.7948862289220214,1.5579692489080144,1.1440723706758655,0.17659345648868857,0.10309291121169377,1.3697130698184081E-8,3.390393773587614E-35,1.6186356858692153E-83,1.4904725602916433E-153,2.6471269158008807E-245,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9700891481355133,3.947752206668181,1.4560466724576218,3.3160291134816684,2.818155919484624,1.43814608486851,1.4352919762791132,0.38328444580998594,0.24986696272303285,1.4273446262049623E-7,3.5330517128121457E-34,1.6867431821430765E-82,1.5531873238623244E-152,2.7585103408225092E-244,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7937073517211033,4.183982769777001,5.586647848434139,9.414144631125398,13.317568872920768,4.312625627449248,8.811166909045944,2.791115952552721,2.1040043967440414,1.7327469129159688E-6,4.289002902191748E-33,2.0476480367465474E-81,1.885515831974793E-151,3.3487363953969934E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3625383528292738,3.8580314928275974,2.103404366783386,3.64154094442977,4.43083023570743,1.577685382119239,1.9196694138088832,0.4830164385696827,0.3484619508560326,3.1003827885351004E-7,7.6742604300137835E-34,3.663831585417965E-82,3.3737304146132215E-152,5.991853070700773E-244,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.7488569286195315,4.137921496158774,7.1433745989954165,12.690842772691433,18.799104437273638,5.257041108000003,12.645160307529848,3.6797605818949046,2.938518872620364,2.836250818895986E-6,7.020464690058402E-33,3.351697601393667E-81,3.086311113046979E-151,5.481387202648953E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.079837182705911,5.020498161196799,5.079709312331935,10.518248847937997,8.61493001221309,6.2070115200002665,9.898769881580009,4.475371734005042,2.8871905581964383,8.972628327569823E-7,2.2209596776690836E-33,1.0603265671255046E-81,9.763702030331324E-152,1.7340646940385454E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.007221082110979,1.606725918322921,0.6006177870122438,0.47625821012168473,0.38123175211562765,0.4580555226018004,0.5312670203239629,0.41620038721144187,4.214564787446143,5.395654986212035,11.547244652076582,0.28623494335596855,1.4055229301372052,1.9924688265700434,0.9364012754019941,0.14948671636158808,0.6472507718090346,0.30418867293911894,0.4626454273330318,0.17905983016357188,0.025463661348576402,3.078356818333626,2.303577524592333,5.660839236357574,0.47087615771355196,0.66716891884518,1.7404531698967711,1.250132717270715,0.3343826564758453,0.5234495144996683,0.3759833216048664,0.34956243054018604,0.3195472249134472,0.12861292690171405,3.324968543643332,3.1757975039357165,7.228314979052506,0.34914925415680215,0.7977225823553473,2.082061724495346,1.5624363483627266,0.5790757269936321,0.4929620797838195,0.3699322948772875,0.49418078759556294,0.5013817405265706,0.3868996239242746,4.223573799851705,5.3635292889534885,11.470887918905136,0.2943415619916606,1.3824621520464082,1.695940727119987,1.3879428310792432,0.4217158173362585,0.4837805309287311,0.3959216905289503,0.3292112950133257,0.39492100071782366,0.20514608433286835,3.5055993755354886,3.6543912494573427,8.152654318982213,0.31955333218652215,0.9292783800640176,2.069528225126389,1.6437447590066563,0.6318781514264615,0.47628452050607556,0.3782940357481946,0.48672164613890995,0.5562341848100523,0.46056856114606887,4.345151135559506,5.748112242623659,12.242771418366988,0.2818678343814051,1.503524392095031,2.095293756160584,1.5638590327748003,0.580877002435205,0.49416958353098756,0.36883208602864154,0.500534455579233,0.5022573658781682,0.38930484729414017,4.240029791370589,5.402261770377576,11.545676833069626,0.29450250433944364,1.3920966687515413 +UMLCN0042,L,hexan-1-ol,CCCCCCO,Alcohols,,C6H14O,NREL (2014),CFR,PubChem,,23.3,0,-1.5493999999999994,2.4006403599999984,24.8219,20.69710199999999,0,0,21,7,14,0,6,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1135.7776229999986,1087.0037299999997,1075.9589049999988,899.5234560000002,702.7667270000002,506.0099980000002,309.2532690000003,68.61657600000001,3.0481920000000002,3192.6646094933617,3993.90365426468,4933.699885922924,4548.576429586405,3541.778084631285,2534.9797396761583,1528.1813947210292,609.447463694361,93.25123329279079,152.653308,149.73684800000004,269.4739000000002,340.95828,278.07338000000016,215.18848000000014,152.30358,89.27884799999998,20.155392,23.60118466788598,30.294684016000005,41.61935403079204,41.49008326837606,32.46855440897998,23.447025549583977,14.425496690188005,6.2747515067920006,1.3338387145469999,3535.0645506819865,2963.092505828851,5878.926572045094,8098.324457491478,6619.369302452881,5140.414147414284,3661.458992375688,2188.016593995342,554.7529560727469,65.25,48.0,72.75,80.5,68.25,56.0,46.0,28.0,3.0,54.08464871428565,54.350186499999985,29.079970405405373,18.740072000000005,18.019659666666673,16.86699993333334,14.726346142857157,5.7180480000000005,1.016064,152.03164807111247,199.695182713234,133.34324016007903,94.76200894971676,90.81482268285346,84.49932465587194,72.7705426057633,50.787288641196746,31.083744430930263,7.269205142857143,7.486842400000002,7.2830783783783835,7.1032975,7.130086666666671,7.172949333333338,7.252551428571429,7.4399039999999985,6.718464,1.123865936565999,1.5147342008000002,1.1248474062376226,0.8643767347578346,0.8325270361276919,0.7815675183194659,0.6869284138184765,0.5228959588993334,0.44461290484899996,168.33640717533268,148.15462529144253,158.8899073525701,168.7150928644058,169.72741801161234,171.34713824714282,174.355190113128,182.33471616627853,184.91765202424895,3.107142857142857,2.4,1.9662162162162162,1.6770833333333333,1.75,1.8666666666666667,2.1904761904761907,2.3333333333333335,1.0,0.22997726289896647,-0.10050100739419589,-0.03404275502610994,0.015218583182132706,9.589236187011671E-4,0.0011489192599673029,0.009991894140555877,-0.022238549174466236,0.014475359943931773,638.6281311428567,-66.44114432653011,-289.475441061224,7.817131102040744,7.492556734693746,7.167982367346806,6.843407999999865,-37.36113036734706,44.64257197959175,965.9836389660909,-78.01174289561533,-463.17438906819535,-17.94589770617002,-18.64893188090561,-19.351966055641146,-20.05500023037685,67.30637952334412,66.88972883051406,1.0823211428571418,-0.08940261224489654,-0.16345763265306051,-0.0014083265306136933,-0.018234122448980504,-0.03505991836734734,-0.051885714285714146,-0.20854351020408077,0.026831265306122048,4.253148427962001,-0.24991208704399456,-1.8939029992199954,-0.1914902239999996,-0.20686622400000032,-0.22224222400000104,-0.23761822400000165,0.6177894519999975,0.25766831628299924,23.456188489857222,-1.21948869836568,-10.02632140881638,-1.239130011860539,-1.3525786866054368,-1.466027361350335,-1.5794760360952305,3.819831947409873,1.3350960107551106,23.809523809523785,-2.4376417233560077,-3.140589569160996,-0.374149659863944,-0.884353741496598,-1.39455782312925,0.34523809523809534,-4.510204081632651,0.4914965986394555,0.010951298233284118,-0.0050250503697097946,-9.200744601651335E-4,3.170538162944314E-4,2.458778509490172E-5,3.8297308665576764E-5,4.758044828836132E-4,-0.0018532124312055198,0.004825119981310591,30.41086338775508,-3.322057216326505,-7.82366056922227,0.16285689795918215,0.1921168393511217,0.23893274557822686,0.325876571428565,-3.1134275306122547,14.880857326530583,45.99922090314718,-3.9005871447807663,-12.518226731572847,-0.37387286887854204,-0.4781777405360413,-0.6450655351880382,-0.9550000109703263,5.608864960278677,22.29657627683802,0.05153910204081628,-0.004470130612244827,-0.004417773855488122,-2.9340136054451942E-5,-4.675416012559104E-4,-0.0011686639455782447,-0.0024707482993197214,-0.017378625850340064,0.008943755102040683,0.20253087752200005,-0.012495604352199728,-0.05118656754648636,-0.003989379666666658,-0.005304262153846162,-0.007408074133333368,-0.011315153523809603,0.05148245433333312,0.08588943876099975,1.1169613566598677,-0.060974434918284005,-0.27098165969773996,-0.025815208580427896,-0.03468150478475479,-0.04886757871167783,-0.07521314457596336,0.31831932895082277,0.44503200358503686,1.1337868480725612,-0.12188208616780039,-0.08488079916651341,-0.007794784580498833,-0.02267573696145123,-0.046485260770975,0.01643990929705216,-0.37585034013605423,0.16383219954648517,-0.4588543077420021,-0.08401510401467882,0.028951253955518664,0.0022451936355976894,0.0034970564995828826,0.04344731307175141,-0.1692230812939674,0.44059798925443155,-0.10923916147885923,-0.25726532224574933,0.005355221122224251,0.006317375370160568,0.007856822166858736,0.010715794789298192,-0.1023787944102197,0.4893270255694994,-0.08479680890668945,-0.2721399729341149,-0.008127808722363869,-0.010395344337306487,-0.014023401321214638,-0.020761221434187092,0.12193391214360608,0.48471638951851315,-0.08673279966547956,-0.08571693492039259,-5.692791471457164E-4,-0.009071589972321246,-0.022675287292602108,-0.04793929660169511,-0.3371930274721725,0.1735333901424533,-0.061697280459580214,-0.2527346356899391,-0.019697636802236778,-0.02618989370285024,-0.03657750474383177,-0.055868782391368874,0.2541955822402478,0.4240807120962084,-0.05458956530118497,-0.24260611889750286,-0.023111997945591444,-0.031049869879532326,-0.04375046497383774,-0.06733728443469056,0.2849868771670997,0.39843097608662936,-0.10750000000000004,-0.0748648648648649,-0.0068749999999999775,-0.020000000000000004,-0.04099999999999999,0.01450000000000002,-0.33150000000000013,0.14450000000000007,1.3795402296216184,0.8231177825512798,0.6347470184329057,0.7813433620846081,0.9791375590829643,1.3200936055524781,2.4474744082143527,1.5159346864759746,1.420617299423435,1.3241290837734834,0.8627061727571947,0.8673593970531229,0.8748045559266086,0.8886312795487965,1.0377142988477106,0.0,1.575881923152927,1.4420663609174587,0.9173802366599215,0.8900524965488844,0.8463281123712256,0.7651256846127162,0.41017705915908576,0.0,1.044336985800888,0.8994442860071341,0.6750614992187871,0.8083709062240922,1.0216659574325804,1.417785338248344,2.6234111308570345,0.0,1.6288193170964722,1.4571920530883298,0.926060193661791,0.8970685289041987,0.8506818652920505,0.7645352042980605,0.2079375434793161,0.0,1.6334545248031551,1.4498776537844027,0.9233897766506577,0.8974344966266725,0.8559060485882966,0.7787817879455988,0.1942652218113094,0.0,1.0710000000000008,0.8797297297297305,0.6693750000000006,0.8130769230769238,1.043000000000001,1.3800000000000014,2.6600000000000024,0.0,32.11436424428904,16.18218212214453,26.090016365109143,32.29293567286048,4.613276524694355,16.1821824046588,0.25000000000001243,0.03081507862934274,0.004402154089906106,-2.435825800039197,43.95763039736017,6.279661485337167,2.6482583571316867,32.11768485707624,16.18347521808747,26.09182917184616,32.2957316992896,4.613675957041371,16.18347550018973,0.2492655790986955,0.030727162875696323,0.004389594696528046,-2.437825761948628,44.006183703233646,6.2865976718905205,2.6490311139274345,35.08637825585423,17.343691888898107,27.80500646706788,34.8013822000985,4.9716260285855,17.343691969827393,-0.3989944780580146,0.05263263175037591,0.007518947392910845,-2.0610932832765525,37.49285761737949,5.356122516768499,2.536905315909535,32.12116997784316,16.184832389031047,26.09373201578931,32.29866626371383,4.614095180530547,16.184832670701596,0.24849480021893733,0.030634878133440513,0.004376411161920073,-2.4399312775808006,44.05737421037248,6.293910601481783,2.6498449206797883,38.27821598482679,18.597960860243823,29.883905249628004,37.50514865315597,5.357878379022282,18.597960882612554,-1.0822942643391364,0.14901319642857724,0.02128759948979675,-1.332604287226607,29.77120140412732,4.2530287720181885,2.3754790712906306,32.462495368013194,16.317814776945745,26.28123646938713,32.58616264364055,4.65516609194865,16.31781501963538,0.17313418587829332,0.021529702148023966,0.003075671735431995,-2.6868252613847394,50.622436514908514,7.2317766449869305,2.747076421181451,32.41027665603069,16.494648579459835,27.012586782980435,32.79882096844348,4.685545852634783,16.49464881618346,0.6666666666666643,0.056773626715727166,0.008110518102246738,-2.0080783656284944,34.45419279906787,4.922027542723981,2.4777414877938937,0,11.996355255265772,15.997942498519947,-0.4217164401812482,0.06968161920961208,3.9061981587017227,6.816523602858855,6.0,20.0,20.0,20.0,6.0,0.0,0.0,0.0,0.0,0.0,15.304897999999996,3.4559393004667713,3.122578286951211,2.6307004684937243,2.0789134203981834,1.5905035815971553,1.258478817511841,1.0960703112885448,0.0839230705186914,1.8812024337989033,1.6267105200581167,1.2748046046048622,0.9302715098859579,0.6782766512639667,0.5358698255424421,0.38655817448134544,0.08392307051869094,3.474061440422361,3.1195573664953966,2.6111311448138426,2.0635277038082993,1.6034090525036062,1.3075243351903605,1.1512168120235895,0.2709139018929376,1.8243423876881004,1.5700926951198455,1.2105675466528223,0.8439561922113745,0.5631786853900288,0.3962718565569149,0.3108220739709596,0.2709139018929368,3.6143184040152985,3.315466086874592,2.884159397836764,2.4220989949062304,2.043073853004965,1.8060499254603228,1.6996633439680857,0.9439184268026231,1.630609834872177,1.3153114228010372,0.8726645303096325,0.41750301281959057,0.062046581597277294,0.1493809229849575,0.3020162231955647,0.9439184268026213,3.4936270401388656,3.13841362991686,2.632444540340427,2.0948377558052482,1.6530458148206661,1.3776422514909472,1.188382977509248,0.3992772455089828,1.788767042729695,1.5353595012556374,1.170137509051828,0.7880548332059832,0.4880463238541075,0.30687455654254775,0.22597400386150598,0.39927724550898136,3.67452723504452,3.3845546326159606,2.971939039065216,2.5404662613141324,2.1974993550542625,1.9882607216785118,1.8900971494850454,1.2076448229620884,1.5728319030492584,1.2455711790777202,0.7816676474471053,0.2948606101531022,0.09694992690400744,0.33770586306236666,0.4758309894329789,1.2076448229620864,4.439739993137201,3.489832903581853,3.0946974572061547,2.541654521870351,2.024062504778407,1.6715650685526076,1.489612642432697,0.631578947368422,1.7223012823845847,1.3722733894230505,0.9339062996200823,0.5329820927018701,0.24526618054469404,0.08707184510062785,0.35316231400511244,0.6315789473684207,0,0,0,0,0,2,4,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.535533905932738,3.414213562373095,2.060660171779821,1.2071067811865475,0.6767766952966369,0.35355339059327373,0.17677669529663687,0.0,0.7907905579903911,0.5690355937288492,0.4121320343559642,0.30177669529663687,0.22559223176554563,0.17677669529663687,0.17677669529663687,0.0,4.982747501432696,3.0233345472033855,1.7842669695298001,1.0116672736016927,0.5385800941716263,0.25583363680084636,0.07905694150420949,0.0,0.7118210716332423,0.5038890912005642,0.35685339390596005,0.2529168184004232,0.17952669805720878,0.12791681840042318,0.07905694150420949,0.0,10.507593730917977,20.5455207574654,19.427450980392162,19.720000000000002,12.070120958083828,162.60961197604792,0.5003616062341893,0.9783581313078762,0.9251167133520077,0.9390476190476191,0.5747676646706585,7.743314856002281,1.5589999999999997,31.22779999999998,16.625382301558535,26.723216980603148,33.25076460311708,4.750109229016725,16.625382474771918,3.3306690738754696E-16,4.7580986769649563E-17,-24.9467317967063,2000010.7099194438,285715.8157027777,10.156064165428724,54,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6882029478458049,0.0,8.292882653061223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6882029478458049,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.711797052154195,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.16406179138322,0.0,5.043055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.292882653061223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6882029478458049,0.0,8.292882653061223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6882029478458049,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22040816326530613,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.16406179138322,0.0,0.36111111111111116,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.292882653061223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6882029478458049,0.0,8.292882653061223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6882029478458049,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.16406179138322,0.0,1.2644444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.292882653061223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.5,2.2142857142857144,0.6882029478458049,8.292882653061223,0.22040816326530613,0.36111111111111116,3.365627471655329,1.1388888888888888,2.2928826530612243,4.913888888888889,1.1388888888888888,2.2928826530612243,4.913888888888889,3.33333,0.47619,0.0,0.02381,0.46984,0.80952,0.42174,0.46984,0.74583,0.0481,0.0,-0.0481,0.06369,0.58823,0.12606,0.0,0.25,0.0,0.0,3.25,0.46429,3.25,0.46429,0.0,0.0,-3.25,-0.46429,0.0,0.0,5.8357,0.83367,6.60412,0.76842,0.10977,3.07596,0.43942,3.41421,0.33826,0.04832,-2.1E-4,-3.0E-5,-2.1E-4,-3.0E-5,0.0,6.01,1,1,1,1,1,1,1.0,1.115520093581932,1.7206166448818938,2.8325608750566906,3.27280432733462,2.7898657820928925,2.5389058782187806,23.425921965220574,36.13294954251977,59.4837783761905,68.72889087402702,58.58718142395074,53.31702344259439,0.2539707371322467,0.3917332194523776,0.6448898388734156,0.7451201751407368,0.6351694364402081,0.5780333327122256,3.2767973291968286,2.671700777896867,1.55975654772207,1.1195130954441406,1.6024516406858682,1.8534115445599801,0.25810704599679474,0.39811320482571244,0.6553928739368609,0.757255617280212,0.6455141596162075,0.5874475054830706,9.935135926835507,14.475860750292222,18.737127399078922,17.738805987556944,15.553476796217872,16.142073512675754,25.722850128000914,20.896593835660994,16.87170819742207,17.8305151591648,20.965338574942702,15.531453051057102,7.0,6.0,6.0,7,0,6,2.0100000000000002,1.0127000000000006,0.0,1.9192597481868876,0.0,0.0,5.6762400186093895,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.385,0.375,0.449,0.20500000000000002,3.6180000000000003,5.0,4.0,3.0,2.0,1.0,0.0,0.0,0.0,0.0,28.0,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,0.0,0.0,0.0,3.367295829986474,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.6666666666666666,6.0,1.0,0,3.0,6.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.0,0.0,0.0,0.0,0.0,0.08333333333333333,0.04444444444444447,0.03125,0.026666666666666672,0.027777777777777776,0.0,0.0,0.0,0.0,0.0,0.21347222222222223,16.625382301558535,26.723216980603148,33.25076460311708,4.750109229016725,16.625382474771918,3.3306690738754696E-16,4.7580986769649563E-17,-24.9467317967063,2000010.7099194438,285715.8157027777,10.156064165428724,20.23,121.12259315656118,3.807354922057604,3.1354942159291497,3.713572066704308,4.31748811353631,4.919980925828125,5.53338948872752,6.142037405587356,6.7580945044277305,7.368339686311381,7.98514393119862,62.8735403382505,2.5649493574615367,0.0,3.4965075614664802,0.0,4.574710978503383,0.0,5.720311776607412,0.0,6.900730664045173,7.275172319452771,102.104465068,4.862117384190476,12.83378877709787,1.8333983967282672,2.401269388548936,2.401269388548936,0.0,56.0,4.0,1.9889999999999999,22.0,1.2213999999999998,2.1183123156564467,2.830967795861207,3.5232174209512825,4.857279787105231,5.795571436443244,7.021345031279954,7.406263712985471,0.0,0.0,77.91771383644998,68.73967883082192,64.9748373326815,83.46467027365058,98.10081081740131,102.39829483294768,42.71686754155221,7.525237933270869,0.0,0.0,269.3444455522835,301.4901584203902,294.44872979027826,378.183818380771,448.9193902555466,461.398072777982,365.4885217874027,230.21440844251302,0.0,0.0,9.169769618599998,15.480134529796116,20.182596816710618,25.45091925908264,35.081828090867134,42.49887670060374,52.69773254428508,49.75871613019922,0.0,0.0,1.9865426122101,2.4961860693282945,2.5863263273041093,3.2885211441628783,4.008847372583096,4.188325591466381,3.689839636629655,3.2929204235082103,0.0,0.0,178.52500497844517,333.3665255744611,474.5013110919129,585.546378144261,825.2128380477759,1001.6767613466042,1280.116668156015,1369.5488960776695,0.0,0.0,2.9959499999999997,4.267155141826881,4.922877152649362,6.807771986278035,9.600590489448454,13.894441381791715,17.219359262548746,7.406263712985471,0.0,0.0,0.43109395500000003,0.5523195444038016,0.5817591288664805,0.7506356382028808,0.9406410289561465,1.0431546601345194,0.996968355756595,0.7584014042097121,0.0,0.0,384.4211814060557,250.376060190723,17.75129982157032,169.01304600522832,-110.07931567361825,-22.831809796960133,215.4081354008274,360.45537586434125,40.58310961853046,0.6946104204725551,0.45240436494480896,0.032074813848436697,0.3053895795274448,-0.1989022547241425,-0.04125478451840076,212.75183953199354,138.56668143393395,9.824176902296836,93.53760453833137,-60.92166102379178,-12.63590501538202,0.3220043245486723,0.6075567198696946,11.126743318803381,22.856636310748183,481.2590078070936,72.17521960419057,0.8695866355397033,0.13041336446029678,408.08774463205435,20.201181763254702,7.41739119128055,552.0501457592494,23.49574739733234,8.203380253015611,611.218113915399,24.72282576720143,8.486567544878145,2.463069719228072,2.463069719228072,683.9502378431963,662.0642483962048,41.90300337360998,1.0330571987537591,16.322224728023677,15.799923516059117,4.051593168011714,4.466158665423346,7.980979596661652,0.7869897141025861,4.340044604260545,5.125387609189353,3.89351948903677,19.464820906431616,7.346290654786367,0.09379294831658998,4.421836536203691,5.067435304611613,7.943074241818281,0.7291652955488181,2.0365872835512873,3.8691170527326384,3.583356019784649,0.0669478437387439,1.93361240613559,3.998624345482447E-12,1.598743683984449E-45,1.232886174648011E-100,1.833762250180982E-177,5.260644792840951E-276,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38413492037479624,5.252196966289565,0.3452067586787746,4.324442917509789,0.05410801476576405,0.023757267063196016,0.5861284992540614,0.1893886790039855,2.3785407410088246,0.023670972901713973,0.22342880599977133,0.20111332960078518,0.1636358859531077,0.08430301445148562,0.21566497184559996,4.4699806426977534E-13,1.7872029734730605E-46,1.3782183218971737E-101,2.0499254377026078E-178,5.880767574148786E-277,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1205852685401485,5.015977200140895,0.861354263657267,5.33269225486666,0.5452585822854623,0.01900737744265663,1.155371461156932,0.7667853312714668,2.9654777870448634,0.10113763999011839,0.3866386641760678,0.6981408738129123,0.5601324543633192,0.045495107419245354,0.37388002080446087,7.743296636468841E-13,3.0959513875718923E-46,2.387471926461003E-101,3.5510625247792937E-178,1.018718679490165E-276,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.3196061410494115,5.251915795012245,4.161838732740824,18.048738434293593,6.547043117352756,0.09137966405344233,4.801558939679989,4.620821214101577,8.112210007832683,0.6624358740579919,1.9070909721089702,3.6018916259919096,3.4029135603473044,0.08746783604495477,2.4269825516492682,5.0224206068856104E-12,2.0080814124597874E-45,1.5485508001002394E-100,2.303273455493246E-177,6.607565134975094E-276,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5846356883845742,4.926225629754288,1.1357001869941434,6.601996433905462,1.178548680771859,0.021845496839994802,1.434634262011299,1.2873570623567412,3.3676408132223394,0.1740731119372402,0.5629237915821781,1.1023115489700517,0.8874744646860107,0.03097100387073139,0.370616584702444,7.667310724673159E-13,3.0655704400107006E-46,2.364043374031917E-101,3.516215516268464E-178,1.0087218691702618E-276,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.421862593636633,5.205652366495648,5.1980151603252285,26.41364406065009,10.706152701164163,0.1310755262841281,5.834620909970946,6.889081127177423,10.249793537723429,1.0029617158407234,2.730623407312342,5.143240819181144,4.909487134503559,0.08188170975400635,2.824048164114454,5.840026165456296E-12,2.3349792677763217E-45,1.8006411447747528E-100,2.678225958980613E-177,7.68321817278783E-276,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.04593583626178,5.91422447318372,5.190895200202909,11.598297073898888,2.936723698148253,0.09303870479569486,6.354532186297394,2.4200902356214744,8.989179682444561,0.33894369869347,1.3274415985300865,2.606458588500877,2.564885316891494,0.30432074704929823,4.618491871771501,9.570114776996901E-12,3.826356074688543E-45,2.950730345971972E-100,4.3888381832586385E-177,1.2590573687021004E-275,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.191017730272879,0.8060272115964008,0.47289515000000004,0.8287908141340443,0.10790276785134166,0.5664309902346518,0.63708826761106,0.5714162224107506,7.46994009186928,8.298997375417741,18.128745154856556,0.7431862212010666,1.7749354802564625,6.59587203970996,0.3123222896247845,0.09796964615520126,0.9414384337541438,0.044578215799316,0.6433266908473397,0.09489381401940089,0.024524825438747986,7.006163975489946,2.7368312115306046,9.944816366987547,0.9121576506312157,0.7627453303054886,5.931177598992566,0.5227635195073457,0.25604256736833514,0.8839332368995311,0.07790831453261604,0.5198815235428075,0.26798926195472705,0.16751248929694978,6.709983685868247,4.753086930097263,12.256957039264195,0.8258998553492966,0.9553832747944844,6.351200763176685,0.7839351393795568,0.45624851651600573,0.8366327421412383,0.10326642626739256,0.5961227175939966,0.6027010220766125,0.5318948393528643,7.591384419072247,8.234324626189839,18.097338223175665,0.7549491132118574,1.7307185790234736,5.770886612392799,0.6173916393054878,0.3285088645596452,0.8591736662941738,0.09191770241029316,0.49223867442517216,0.3728947019462242,0.27575095946908196,6.716787116257932,5.661503180827762,13.548733593018671,0.7887604994412608,1.1408843358404783,6.275995223843527,0.8378190018930436,0.4972910638911213,0.8245839447782132,0.11007849320318977,0.5820822209709188,0.6884488607540746,0.6318938904470572,7.611105289627692,8.795784298966426,19.021719628626972,0.7368759171673198,1.9024249721720508,6.370845940220187,0.7854714660202515,0.45756775714966647,0.8367404818309013,0.10316303032741277,0.5998155002378469,0.6050736329096743,0.5349752296963706,7.613885163390105,8.278617805478474,18.182225881578226,0.7551107227463519,1.7398643628438917 +UMLCN0043,L,tetradecan-1-ol,CCCCCCCCCCCCCCO,Alcohols,,C14H30O,NREL (2014),CFR,PubChem,,80.8,0,-3.8534000000000006,14.848691560000004,48.1147,45.44578999999996,0,0,45,15,30,0,14,0,1,0,0,0.0,0.0,0.0,0.0,0.0,2306.1476149999967,2434.830106,2625.6272010000007,2473.5772879999963,2276.8205589999966,2080.0638299999946,1883.3071009999949,1686.5503719999954,1489.7936429999959,7078.139734382875,9217.824730187614,12242.076779221617,12602.963189227446,11596.164844272316,10589.366499317184,9582.568154362054,8575.769809406902,7568.971464451767,320.47286,323.94308800000005,611.3099640000011,844.0374800000023,781.1525800000018,718.2676800000012,655.3827800000007,592.4978800000002,529.6129799999998,53.02619114547005,70.42259297599999,103.12087518958386,113.66231414354367,104.64078528414773,95.61925642475177,86.59772756535583,77.57619870595991,68.55466984656404,7508.101831789972,6427.408117955252,13272.544163771881,19929.96569780021,18451.010542761633,16972.05538772305,15493.10023268446,14014.145077645862,12535.189922607267,99.25,90.0,146.75,178.5,166.25,154.0,141.75,129.5,117.25,51.247724777777705,55.337047863636364,30.889731776470597,20.613144066666635,20.511896927927896,20.39278264705877,20.250613989247256,20.077980619047565,19.863915239999944,157.2919940973972,209.49601659517305,144.02443269672492,105.02469324356206,104.46995355200285,103.81731862075671,103.03836725120487,102.09249773103454,100.91961952602357,7.121619111111111,7.36234290909091,7.191881929411777,7.033645666666686,7.037410630630647,7.041840000000011,7.047126666666674,7.053546190476193,7.061506399999997,1.1783598032326679,1.6005134767272724,1.2131867669362806,0.9471859511961972,0.9427097773346642,0.9374436904387429,0.9311583609178046,0.9235261750709514,0.9140622646208538,166.8467073731105,146.07745722625575,156.14757839731624,166.08304748166842,166.22532020505975,166.39269987963772,166.592475620263,166.83506044816502,167.13586563476358,2.2055555555555557,2.0454545454545454,1.7264705882352942,1.4875,1.4977477477477477,1.5098039215686274,1.5241935483870968,1.5416666666666667,1.5633333333333332,0.2639200514312064,-0.1004999904547209,-0.05100013695612991,0.015331400039786145,0.00133170921207597,4.771070819474012E-5,7.193672808478158E-7,3.0063931153595513E-9,-4.646879921826885E-8,1284.717427244443,-67.49490201679203,-616.9737556839523,3.7826327703712153,3.7119476859267664,3.6412626014823175,3.5705775170378686,3.499892432593306,3.42920734814863,2167.5380642816162,-74.09367731316271,-1051.8964913076402,-8.083123271878542,-8.236228492153934,-8.38933371242933,-8.542438932704496,-8.695544152980457,-8.848649373256304,1.2297452444444432,-0.07173650567900841,-0.21502226172839214,0.006322370370367983,0.002658085925923959,-0.001006198518520204,-0.004670482962964371,-0.008334767407408478,-0.01199905185185264,9.639879191601114,-0.19995427141928115,-4.448680607093858,-0.08298391194074844,-0.08633246305185799,-0.08968101416296753,-0.09302956527407708,-0.09637811638518662,-0.0997266674962975,52.75423673460105,-0.8817725371146065,-23.760909767094653,-0.5312004811962835,-0.5559070814740471,-0.5806136817518072,-0.6053202820295672,-0.6300268823073308,-0.6547334825850945,25.777777777777807,-1.7160493827160495,-3.2469135802469093,0.03703703703703866,-0.07407407407407342,-0.18518518518518395,-0.29629629629629545,-0.4074074074074058,-0.5185185185185173,0.005864890031804586,-0.0022840906921527478,-6.000016112485872E-4,1.277616669982179E-4,1.1997380288972703E-5,4.677520411249031E-7,7.735132052127051E-9,3.579039423047085E-11,-6.19583989576918E-10,28.54927616098762,-1.5339750458361825,-7.258514772752379,0.03152193975309346,0.033440970143484385,0.035698652955708995,0.03839330663481579,0.04166538610230126,0.04572276464198173,48.16751253959147,-1.683947211662789,-12.375252838913415,-0.06735936059898785,-0.07420025668607148,-0.08224836972969932,-0.09185418207209135,-0.10351838277357686,-0.11798199164341738,0.027327672098765406,-0.001630375129068373,-0.002529673667392849,5.2686419753066523E-5,2.3946720053369002E-5,-9.864691358041216E-6,-5.022024691359538E-5,-9.92234215167676E-5,-1.5998735802470187E-4,0.21421953759113588,-0.004544415259529117,-0.052337418906986566,-6.91532599506237E-4,-7.77769937404126E-4,-8.792256290487013E-4,-0.0010003179061728717,-0.0011473585283950788,-0.0013296888999506332,1.1723163718800234,-0.020040284934422874,-0.27954011490699593,-0.004426670676635696,-0.005008171905171595,-0.005692290997566737,-0.006508820236877067,-0.007500320027468224,-0.00872977976780126,0.5728395061728402,-0.03900112233445567,-0.03819898329702246,3.0864197530865547E-4,-6.673340006673281E-4,-0.0018155410312272937,-0.0031859816806053274,-0.004850088183421497,-0.006913580246913563,-0.3894515804672213,-0.10230398319403286,0.02178415388956688,0.0020456274924017955,7.975461408284565E-5,1.3188878240138126E-6,6.102483428740162E-9,-1.0564289973332651E-7,-0.05373078592907894,-0.25424514204220305,0.0011041239566055255,0.0011713421368343211,0.0012504223488681982,0.001344808408392503,0.0014594200521005401,0.001601538490298453,-0.0349602278149336,-0.2569211525868505,-0.001398439675364626,-0.0015404627055441633,-0.0017075486234024429,-0.001906973751168725,-0.0021491328348851218,-0.002449410098693422,-0.05966022730278695,-0.09256820918555786,0.0019279512562450118,8.762810080135165E-4,-3.6097810755299854E-4,-0.0018377067293581953,-0.0036308771986930514,-0.005854408580668299,-0.021213822560865986,-0.24431673924569344,-0.003228149062790488,-0.0036307142950172677,-0.004104320450578186,-0.004669592313667021,-0.005355993861703466,-0.006207131781268741,-0.0170946046776474,-0.2384510884708556,-0.0037760034601723776,-0.004272031019357068,-0.0048555928536919675,-0.005552102139833623,-0.006397863415862811,-0.007446607398139006,-0.06808385579937297,-0.06668356997971585,5.387931034482987E-4,-0.0011649580615097738,-0.003169371196754539,-0.005561735261401535,-0.008466748768472863,-0.012068965517241336,1.3950288968584612,0.8865751358495578,0.6280528000300245,0.6786466287847666,0.7197966609236683,0.7667207798393564,0.823608228118665,0.8941471773659895,1.460067562890698,1.4108337815984486,0.9302345506150059,0.9309497361417411,0.9317911308790768,0.9327953762107355,0.934014816970607,0.9355269235128476,1.5332120422638855,1.4756829794881592,0.9691091059470596,0.9653435330702773,0.9609134473328863,0.955625925646323,0.9492053635983532,0.9412438666588706,1.0734223254478583,0.9178175669589136,0.6359782268182885,0.6722547859899238,0.7149330908977303,0.7658717128844672,0.8277257538683617,0.9044247646883908,1.5538581240505254,1.4803843557351544,0.9720439955988118,0.9680890874434839,0.9634362543195686,0.9578828728490892,0.9511394810635069,0.9427776752493845,1.5553237770032804,1.4756566363642174,0.9692615739808677,0.9656933663463941,0.9614954750117192,0.9564850885800106,0.9504010479129359,0.9428568374857633,1.066810344827585,0.8584685598377272,0.6009698275862062,0.6420083876980421,0.6902890466531433,0.7479143492769735,0.8178879310344819,0.9046551724137921,154.16842384841954,77.2092119242097,122.87428186980056,154.38509051508606,10.292339367672405,77.2092119242097,0.2499999999998721,0.01156840539785231,7.712270265234874E-4,-6.689216354120774,226.70290234396114,15.113526822930742,8.135460540011177,154.17241790692526,77.21084174301191,122.87618822199147,154.38844807547733,10.292563205031822,77.21084174301191,0.24926557909854807,0.01153482297216657,7.68988198144438E-4,-6.693577101735783,226.95023941849635,15.13001596123309,8.137096175761974,157.76006917500052,78.68053734847123,124.6063940415075,157.41427396068354,10.494284930712235,78.68053734847123,-0.3989944780580714,0.019059023435576306,0.0012706015623717537,-5.940321927596005,189.5758514492988,12.63839009661992,7.867183823903208,154.17660987237582,77.2125523362973,122.87818908183695,154.3919720325655,10.292798135504363,77.2125523362973,0.24849480021880765,0.011499575526636663,7.666383684424442E-4,-6.698167732532096,227.21100401911917,15.147400267941277,8.138818678285336,161.66540521868717,80.29155547717396,126.53115545473608,160.7274168562598,10.715161123750653,80.29155547717396,-1.082294264339268,0.05356810110834104,0.003571206740556069,-4.3902022749606155,137.09315713123758,9.139543808749172,7.38099101071086,154.58734534448,77.38023976517914,123.07447130509527,154.7373949722412,10.315826331482747,77.38023976517914,0.17313418587825424,0.008040925773874885,5.360617182583256E-4,-7.234816584623573,260.61628982163245,17.374419321442165,8.344573757468911,157.8588931206128,79.16929146117081,126.765492436544,158.34778200950163,10.556518800633441,79.16929146117081,0.6666666666665719,0.022353553050438013,0.0014902368700292008,-5.701154996075243,178.9510288523907,11.93006859015938,7.780668279870299,0,11.996195931195219,15.997944618585944,-0.42172789646909,0.06979059287224992,3.94551668147618,7.590839516758725,14.0,44.0,44.0,44.0,14.0,0.0,0.0,0.0,0.0,0.0,32.796209999999995,3.541976325750157,3.4497724430465886,3.3008771861854997,3.102500718149805,2.864742334020291,2.6004093269591646,2.3245056599715936,2.053155451046631,1.9480540644263324,1.8762192173905687,1.7620328244266965,1.613994575688917,1.4438662830973135,1.2655876573580536,1.0931463910919195,0.9378895745349352,3.568373592314671,3.4732624593084327,3.3204225049476706,3.118247876185814,2.8782055534203588,2.6144291353323963,2.3429450372415346,2.0802805010294136,1.8901339168506175,1.8171848885480304,1.7008089343571202,1.5489575082951383,1.372728036147177,1.1856321730538737,1.0018939505513906,0.8339092541534949,3.691812647229253,3.6077442007242593,3.4727914897955654,3.294745126453315,3.084484280006394,2.855625746924145,2.62356012508205,2.40358243486954,1.7146766029276301,1.6283324230816805,1.490375275762015,1.3096342396434053,1.09816854978124,0.870654900438688,0.6430925050898357,0.43061537174009523,3.5886298474354508,3.4938224526638773,3.3416588921470107,3.1407870831559026,2.9030160154734093,2.6428670561113026,2.3766977922323202,2.121131477822118,1.8532622189771895,1.77991630543304,1.6624206710152902,1.5081831339557084,1.3278003407889312,1.1345443500130592,0.942868948137756,0.7659281546162475,3.7503340167190915,3.668733500925925,3.5381861253007734,3.3668670359716177,3.1660757075196027,2.9497232431331204,2.7331021290239703,2.530723723505901,1.6598352804212688,1.5705690963002938,1.427603152473461,1.2395519249706766,1.018196883429736,0.7779833830566357,0.5349662027459999,0.3049337664551214,4.538347076160615,3.6142095161861363,3.5205324592474825,3.364705491069696,3.156001376608799,2.9103117398625518,2.647193196951508,2.387151240997949,1.797964461457907,1.7060989564814542,1.5618789394787718,1.3778771830976984,1.169863549123334,0.9546053041204188,0.7474016274350048,0.560243255972817,0,0,0,0,0,2,12,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.192388155425121,7.414213562373096,4.889087296526013,3.207106781186548,2.0909902576697323,1.353553390593274,0.8687184335382292,0.5517766952966369,0.7461592103616748,0.5295866830266497,0.3760836381943087,0.26725889843221234,0.1900900234245211,0.1353553390593274,0.09652427039313657,0.06897208691207961,10.63960175092508,7.023334547203386,4.612694094275992,3.011667273601693,1.952793656544722,1.2558336368008463,0.799620132975724,0.5029168184004231,0.7093067833950053,0.5016667533716704,0.35482262263661474,0.25097227280014106,0.17752669604952018,0.12558336368008463,0.08884668144174711,0.06286460230005289,22.84221616120493,43.648215586307394,41.23137254901958,41.80000000000001,26.45855688622758,346.8356526946108,0.5076048035823318,0.9699603463623865,0.9162527233115463,0.9288888888888891,0.5879679308050574,7.707458948769129,4.6798000000000055,68.16380000000007,77.76872898825354,123.53029447214068,155.53745797650708,10.369163865100472,77.76872898825354,1.1102230246251565E-16,7.401486830834377E-18,-55.10520085451565,2000056.8187539596,133337.12125026397,21.76302922124649,294,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,13.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6195597165550129,0.0,8.60975905328022,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6195597165550129,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.3804402834449876,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2702201417224934,0.0,16.62002080499729,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.60975905328022,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6195597165550129,0.0,8.60975905328022,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6195597165550129,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20444444444444446,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2702201417224934,0.0,0.37244897959183665,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.60975905328022,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6195597165550129,0.0,8.60975905328022,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6195597165550129,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2702201417224934,0.0,1.442809917355372,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.60975905328022,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,27.5,1.8333333333333333,0.6195597165550129,8.60975905328022,0.20444444444444446,0.37244897959183665,8.99158512923281,1.1275510204081634,2.6097590532802197,5.759958390005427,1.1275510204081634,2.6097590532802197,5.759958390005427,7.33333,0.48889,0.0,0.01111,0.45037,0.75111,0.42766,0.45037,0.72292,0.02271,0.0,-0.02271,0.02819,0.65089,0.0634,0.0,0.11364,0.0,0.0,7.25,0.48333,7.25,0.48333,0.0,0.0,-7.25,-0.48333,0.0,0.0,17.74699,1.18313,18.73969,0.9927,0.06618,7.07596,0.47173,7.41421,0.33826,0.02255,-2.1E-4,-1.0E-5,-2.1E-4,-1.0E-5,0.0,14.01,1,1,1,1,1,1,1.0,1.0360822790616302,1.4051642326107092,2.1582249081442346,2.693001165172471,2.896944208925965,2.9424134903726222,46.623702557773356,63.23239046748191,97.12012086649055,121.1850524327612,130.36248940166843,132.408607066768,0.1886580469084409,0.255863404931536,0.392986642265909,0.4903629281293526,0.5274984887818751,0.5357778947763736,4.455770817268045,4.086688863718965,3.33362818818544,2.7988519311572038,2.59490888740371,2.5494396059570525,0.1897784149406091,0.2573828798979344,0.3953204397279252,0.493275006134184,0.5306311006875579,0.5389596749097233,8.633858004207259,11.5177644762916,14.670635036566479,16.300115799190596,16.90515236237605,16.821008658510078,56.69713174141407,51.02152948310337,45.7485458635682,41.625732618838086,40.42253761831938,41.04795279575331,15.0,14.0,14.0,15,0,14,2.89,2.1399000000000026,0.0,2.2937029551771286,0.0,0.0,21.215216789392638,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.385,0.375,0.449,0.20500000000000002,7.609999999999999,13.0,12.0,11.0,10.0,9.0,8.0,7.0,6.0,5.0,110.0,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,4.709530201312334,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,0.8571428571428571,14.0,1.0,2,7.0,14.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.03571428571428571,0.017094017094017103,0.010416666666666666,0.0072727272727272745,0.005555555555555555,0.0045351473922902496,0.00390625,0.003527336860670193,0.003333333333333334,0.003305785123966942,0.10718014122760419,77.76872898825354,123.53029447214068,155.53745797650708,10.369163865100472,77.76872898825354,1.1102230246251565E-16,7.401486830834377E-18,-55.10520085451565,2000056.8187539596,133337.12125026397,21.76302922124649,20.23,259.4904701634947,4.906890595608519,4.007333185232471,4.653960350157523,5.313205979041787,5.973809611869261,6.639875833826536,7.305860032684009,7.9748769005588755,8.643473357326567,9.314069557738659,88.8264648084357,3.367295829986474,0.0,4.394449154672439,0.0,5.54907608489522,0.0,6.762729506931879,0.0,8.009363076630045,8.355144739461839,214.22966558,4.7606592351111106,28.828448068700688,1.9218965379133792,2.4141629991940943,2.4141629991940943,0.0,560.0,12.0,6.5409999999999995,54.0,1.2368181818181816,2.142382452323888,2.8590457791954766,3.58959107700098,4.930913436925023,5.94195965003041,7.264984455386296,8.365601384845085,9.669893246978022,10.807302484132864,80.26525795674996,73.73338530963777,72.4054776125318,96.27414736248876,120.69761565671364,144.44189794158018,168.0262449686042,190.52203624619338,212.1311093097018,231.77903159988315,286.14201150649325,329.2167671091091,332.50582997075503,446.2646797070239,567.9427469288153,686.1717805579742,804.6657289517487,917.4418821771061,1025.7147197456661,1123.472388172101,9.13681431754546,15.454715890102598,20.17361416476062,25.512041894520813,34.89143885225487,42.140663802480994,51.456293218768664,59.355105717677155,68.62486493744356,76.87203502363266,2.12592742992459,2.7231542982255625,2.8872733760045444,3.837929192043626,4.960489268528188,5.998485641146053,7.09297492641349,8.103370794662032,9.11304633443386,10.009459074146191,178.23111054183605,331.24311464154033,471.13657341559735,581.9088306611383,810.8781692725219,974.9242336745145,1200.607445740316,1383.4928728054285,1607.871523617991,1801.7589218014737,2.591931818181818,3.7779325053985056,4.378503128064916,5.787089489247463,7.741175822428025,9.508426510242616,11.577799444932989,13.57195972467817,15.83029710328906,18.143163599826178,0.4488477068181817,0.5852426033154243,0.6270564571038253,0.8333338714344093,1.0819297743028478,1.3114061345906152,1.5570778915512125,1.7857263950618558,2.019226886045253,2.2326633673751304,652.9620343407271,703.0965465260035,25.24427297848736,213.1722050044054,-229.5395953690629,-25.262126841881198,439.78982933632165,932.6361418950664,50.50639982036856,0.7538808705154285,0.8117639444176704,0.029145912760098328,0.24611912948457135,-0.2650161891101469,-0.029166526035249923,565.552774934956,608.9759925114897,21.864929174043034,184.63574563101537,-198.81210283457284,-21.88039301643303,0.1947691470249082,0.3674897977336361,7.09210780858684,14.13915017759018,791.2464017467229,74.88783759840972,0.9135378395212375,0.08646216047876247,904.7402978012539,30.078901206680637,9.671814940382095,1203.695276237051,34.694311871502094,10.637482339319895,1515.1964923261328,38.925524946057344,11.485669591248435,4.1436898143456435,4.1436898143456435,6414.607488280678,6368.298914380372,92.95945251098692,1.0072717337114525,69.00435958917177,68.50620073980856,6.764898334132896,9.364340826787707,17.898554290530775,0.9113522907378627,8.802453459237514,12.713526070869074,6.264179540718409,59.24784301934089,23.14508784424785,0.09391807285544043,10.776341133358052,6.1716550870562426,42.85826255922244,0.9756593100781046,2.03983590344407,40.00078626756386,4.696456886658085,44.82791730921931,1.354697391482178,1.6131315773630222,19.5598176807881,4.424645055976359,36.91366007672514,2.1435625180557727,3.108649216199329,10.918409884490206,5.219385832204085,24.121704538652395,2.897674515258081,4.180249409163352,4.899355760325216,5.008634997027147,9.620550892743633,3.625708419044072,0.7586339734039392,12.839998585142562,0.5221422155420262,12.43158371131411,0.16663876783962372,0.02388136766223605,1.566601036244434,0.1971686331063701,11.010157973117018,0.025407269080305567,0.22667741428592084,2.698172813371071,0.13105009128329043,9.185920076578208,0.0572022819606718,0.4343829715642297,0.7162861562107887,0.11428900316695216,6.554988884422893,0.09314003628456537,0.6675012555999752,0.18505616001442565,0.12169588357736935,3.881070506807332,0.1259071234032667,0.8957004588518487,0.05531978995972073,0.12645115124167963,1.6079624455606196,0.1533853255622576,2.3295138632912566,12.603801957461922,1.447031517840262,15.582331887591913,1.708034323964981,0.019131546463292664,3.2326772254456255,0.8478361201304732,14.922337879417112,0.11922946786990872,0.38988727482827606,9.011346661339617,0.596363936078151,14.576246808458432,0.22187754684340907,0.5136293938155596,2.900466107408357,0.5382169064013497,11.243107037446418,0.3578322797500886,0.7505926275328396,1.0746966701454066,0.6010768572938663,6.927501380657299,0.48371913156602436,0.9383101770927982,0.4121491163315085,0.601386758848103,2.827267471435629,0.5945757146616908,8.531756087189958,12.840017497159982,6.384388005864207,54.363172404953794,20.624353553192993,0.09150467617263833,10.827026237797037,5.604663117778409,40.696725268160904,0.882057753807544,1.9103395912901076,37.30323308455623,4.251911638518682,42.378500801827634,1.239828436497002,1.6070390767863016,17.819769725644246,3.9995004043294955,34.72915834753466,1.9636126724085752,3.022058926699109,9.80106894972067,4.708827100136104,22.607912702644434,2.654417841433773,4.080081633605002,4.379255617270422,4.525310362831881,9.040497440778,3.318472655642665,3.366374004341014,12.514079815935926,2.013558890706609,19.606049004122617,3.7011560104018835,0.02196975457290863,4.264917663820668,1.4634032099164278,18.21283304867949,0.21337044153179455,0.5661724038595324,13.719706420650725,1.054325829706055,18.74469985501338,0.3646648412411258,0.6219402459780163,4.892977778923028,0.9645993617152745,14.862869718569197,0.5852142886282966,0.9380483239345063,2.0717564270982582,1.0967803013496982,9.317128742562547,0.7910949144220442,1.156013287934378,0.8447357280968535,1.0822980297410545,3.775531128121357,0.9768905462974103,10.810867545287554,12.793945255953638,8.13274585101848,80.7758208746904,33.74310862181941,0.13120112353248187,13.407451242011586,8.499472631453228,54.61375099458721,1.3624493568858613,2.7338720298412746,50.69483614459987,6.529840478152999,56.18607015369579,1.8202417466812617,1.9982454677125345,26.67629339332096,6.181933290539733,46.398953339967,2.8716306764718764,4.118828470212084,15.57847168877324,7.335261087283941,30.5752956555786,3.8818789010522554,5.654161901582143,7.078920986546271,7.007923913698723,12.152287688432287,4.870746471698531,7.138915589734219,13.525811258192144,6.964871662030641,33.4102206743215,9.824035343874785,0.09901682778092785,10.951381709775688,3.0407115808499405,30.968526902022255,0.4648066154416762,1.414139141965686,24.095236402168343,2.261526950232076,30.839123595188106,0.7058407395713612,1.7623988580735284,9.978108781187577,2.105329637269871,24.533438958065286,1.12411128582436,2.995198840863993,4.946858394796241,2.447296198336457,15.79029218999437,1.5195775129664908,4.185199365339763,2.1395078676534465,2.375148936532314,6.723462784627541,1.889908001361831,28.863412360050248,0.8286942978845953,0.5143185366666666,0.9555388356649602,0.027434371745276877,0.5583866093026681,0.7030626880081324,0.6222157853757323,30.20642519460151,39.19014608712503,81.69852819630997,0.9333082534974403,1.8836650826865329,29.847162693383225,0.3249726013474561,0.10881646706375685,0.9856745233167167,0.010731915030407827,0.5971455984738127,0.10788699239750846,0.02785261100550989,30.280951761794437,12.982735269851768,44.31915345333756,0.978511784975075,0.7328852018768309,28.224161354417067,0.5316623777983485,0.27449709025780034,0.9722304320029396,0.018314037280179597,0.5339271654879165,0.28939327943908605,0.1772360901734465,29.030320822473215,22.899114679512966,56.048463279516895,0.9583456480044095,1.000556535100449,29.257705083671116,0.8114062007502891,0.5005098876737469,0.957084319722562,0.026542893553779614,0.5737516097045737,0.674121531202044,0.589253259499663,30.56962117209515,38.789770836029156,81.24143834431472,0.9356264795838432,1.8371264004062806,27.849177797574498,0.6244150498923169,0.34926341705966857,0.966218529558074,0.02166388522225714,0.5198311846265105,0.3989074332562366,0.2869345650601247,28.822856264526482,27.334230077804484,62.23058358363054,0.9493277943371109,1.2056731829428717,29.0737974994748,0.8646229528850977,0.5433675151597771,0.9538087965986385,0.028365230865276328,0.5665576279267237,0.765402239982867,0.6944868267736685,30.481787967519676,41.40543777458672,85.54632913793773,0.9307131948979577,2.0264466946832593,29.33280729506381,0.813737008217668,0.5024405104157043,0.9570564073611612,0.026550210819837824,0.5767007945074907,0.6780003485255638,0.5938078941244254,30.64898481369718,39.016035957921005,81.65786920595957,0.9355846110417417,1.84850903715748 +UMLCN0044,L,linoleyl alcohol,CCCCCC=CCC=CCCCCCCCCO,Alcohols,Olefins,C18H34O,NREL (2014),Other Ignition Delay Method,PubChem,,44,0,-1.4802000000000017,2.190992040000005,73.7861,55.15296199999996,0,0,53,19,34,0,18,0,1,0,0,0.0,0.0,0.0,0.0,0.0,2887.268354999997,3060.3149420000022,3299.5403890000034,3149.5226039999993,2951.7498109999988,2756.0091459999985,2558.2363529999984,2371.554583999998,2188.9370709999966,8896.542319103935,11370.83880266701,14854.037317183092,15277.091216050783,14239.209126664722,13263.494526140523,12225.61243675446,11271.383219307989,10441.488979585238,377.50877999999983,382.57568000000015,698.4130840000009,944.5775280000029,874.9741640000027,818.8077280000022,749.2043640000016,680.0001680000012,637.6698280000007,65.96024276486602,86.03237021599996,123.1848296695838,134.61549443324182,125.14935266899664,116.57243671444968,107.10629495020473,98.30908459111077,91.29032585141282,8754.949864246968,7547.075733166853,15004.701969835076,22031.95880791188,20368.086000849056,19074.048497834723,17410.1756907719,15714.507779397716,14758.510476120517,119.25,113.5,180.0,215.0,200.5,190.25,177.25,162.5,153.0,54.47676141509428,58.85221042307697,34.01588029896911,23.50390002985074,23.80443395967741,23.758699534482744,24.13430521698112,24.703693583333315,24.321523011111076,167.8592890396969,218.6699769743656,153.13440533178445,114.00814340336406,114.83233166665099,114.34047005293554,115.33596638447604,117.41024186779156,116.01654421761376,7.122807169811318,7.357224615384618,7.200134886597948,7.049086029850768,7.056243258064538,7.058687310344846,7.067965698113223,7.0833350833333455,7.08522031111112,1.2445328823559627,1.6544686579999992,1.2699466976245752,1.0045932420391182,1.0092689731370696,1.0049347992624973,1.010436744813252,1.0240529644907372,1.0143369539045868,165.18773328767864,145.13607179167025,154.68764917355747,164.41760304411852,164.25875807136336,164.4314525675407,164.24694047898018,163.6927893687262,163.9834497346724,2.25,2.1826923076923075,1.8556701030927836,1.6044776119402986,1.6169354838709677,1.6400862068965518,1.6721698113207548,1.6927083333333333,1.7,0.30232349883297915,-0.10134629094778119,-0.07136484096914497,0.017230235148278462,0.0026569610897411618,2.750191522957572E-4,-0.00117860382349466,-0.0015694720023717596,-0.004594345689369631,1547.5376387547158,-64.79687304236367,-713.1883924001431,28.969884771091827,11.69630534745355,26.73897514061862,9.46539571698057,-52.037129650053785,-48.90715658348189,2664.816226638285,-63.87149650526406,-1222.4253962850062,53.58576081818168,25.192194442730244,52.30521204509304,23.911645669641377,-83.52638186461715,-79.95124144324697,1.2773818867924502,-0.07235279458882382,-0.2381956796012828,-0.0014480911356343131,-0.01065248985403977,-0.009390846564613083,-0.018595245283018483,-0.03893994588821633,-0.038352562477750006,11.888959359329336,-0.13757404682142255,-5.185907185096698,0.23353906489292098,0.1150030707754172,0.2321258955560881,0.11358990143858431,-0.3493098235493154,-0.34089191074086334,65.0155729665481,-0.5138689067740179,-27.723067985418936,1.2544227478886838,0.6225875676256589,1.2507237028337115,0.6188885225706866,-1.8687690052825798,-1.8364839021936559,28.1132075471698,-1.648807404770381,-4.636436454254196,-0.4277322890708555,-0.6516553933784368,-1.0543787824848807,-1.7452830188679362,-2.219206123175518,-1.7111071555713835,0.005704216959112814,-0.0019489671336111768,-7.357200099911853E-4,1.285838443901378E-4,2.1427105562428726E-5,2.3708547611703207E-6,-1.111890399523264E-5,-1.6348666691372495E-5,-5.104828543744035E-5,29.198823372730487,-1.2460937123531475,-7.352457653609723,0.2161931699335211,0.09432504312462539,0.2305084063846433,0.08929618600925066,-0.5420534338547269,-0.5434128509275766,50.27955144600538,-1.2282980097166165,-12.602323673041301,0.39989373744911705,0.20316285840911488,0.4509070003887331,0.22558156292114506,-0.8700664777564286,-0.8883471271471886,0.024101545033819817,-0.0013913998959389196,-0.0024556255628998226,-1.0806650265927709E-5,-8.590717624225621E-5,-8.095557383287141E-5,-1.754268422926272E-4,-4.056244363355868E-4,-4.2613958308611115E-4,0.22431998791187427,-0.002645654746565818,-0.053462960671099985,0.0017428288424844848,9.274441191565903E-4,0.0020010853065180008,0.0010716028437602293,-0.0036386439953053685,-0.0037876878971207038,1.226708923897134,-0.009882094361038806,-0.2858048245919478,0.009361363790214058,0.005020867480852088,0.010782100886497514,0.0058385709676479864,-0.019466343805026872,-0.02040537669104062,0.5304378782484868,-0.03170783470712271,-0.04779831396138346,-0.0031920320079914587,-0.005255285430471265,-0.009089472262800696,-0.016464934140263548,-0.02311673044974498,-0.019012301728570928,-0.34167128417119375,-0.12897826559977357,0.022541892307360034,0.003756362304592516,4.156319400479226E-4,-0.001949242827706536,-0.0028660667728029805,-0.008949218762776507,-0.04267616185921059,-0.25180664164968947,0.00740417403721238,0.0032304398680913257,0.007894441616435849,0.0030582117939946373,-0.018564221815902494,-0.018610779071155433,-0.024429374853028898,-0.2506451094054566,0.007953407020318354,0.004040665689456062,0.008967999662307187,0.004486546845259638,-0.017304579152635894,-0.017668159353035878,-0.057730734439907345,-0.10188664500363089,-4.4837997940644803E-4,-0.0035643846119287944,-0.0033589371021348537,-0.007278655457418369,-0.016829810527350247,-0.01768100686027152,-0.011794110597068964,-0.23833346804611677,0.007769387198652881,0.0041344693702504275,0.00892067320948743,0.004777117071623667,-0.01622077474761115,-0.01688520016597328,-0.00805577767352043,-0.23298503746428603,0.007631283679321353,0.004092957492231559,0.008789453371092985,0.004759540632589041,-0.015868755354924952,-0.01663424492439065,-0.059776716572018614,-0.090111049609078,-0.006017730141240276,-0.009907447499458918,-0.017135790326313533,-0.031040268456376058,-0.04358046700223737,-0.035842654735272324,1.3500436701682685,0.9608313971703448,0.6974267641995798,0.744190749563315,0.7885120287379557,0.8581260298422055,0.914215684944392,0.9468853521547153,1.3685652664992718,1.380696085131759,0.9387422124959591,0.9488338120252939,0.9441321457570204,0.9564458974008707,0.9925126800729241,0.9908796605501018,1.4160639864688809,1.4242111430761224,0.9653911565017667,0.972389911807174,0.9637093375598487,0.9717378985829744,1.0043194564524474,0.9980568709897174,1.0705240258524085,0.954869844257586,0.676802242392845,0.7158115005507795,0.748532341861656,0.8009328041849766,0.8692783482744695,0.9111396180565625,1.4292128228278782,1.4246047378831994,0.9655436621248188,0.972411628022428,0.9635795950416934,0.9714285299518096,1.0038392451815974,0.9973967877774986,1.4301764925724025,1.4203126666576507,0.9628758471558541,0.9700032126772322,0.9615123553885271,0.9697213969637878,1.0024140022706325,0.9963668928644445,1.067114093959732,0.9343665674946381,0.6763698287088052,0.7159991340116911,0.7693647303864849,0.8441275167785238,0.9127901286353471,0.945384041759881,231.13859230591225,115.69429615295604,182.54031930893407,231.36227651643844,12.176961921917812,115.69429615295604,0.24999999999982947,0.052998737351516,0.0027894072290271577,-5.581225659613195,155.6717474246088,8.193249864453096,9.590724253623268,231.14278733852566,115.69602645881214,182.54231918898375,231.36581443561397,12.177148128190208,115.69602645881214,0.24926557909861913,0.05302621110741196,0.0027908532161795767,-5.5802409831171556,155.67137156692164,8.19323008246956,9.590719666211104,234.90856810357388,117.25478681275793,184.35074356501,234.55157304425882,12.344819633908358,117.25478681275793,-0.398994478058043,0.0778697132063601,0.004098405958229479,-4.850164565521737,155.8102316314983,8.200538506920964,9.592413725426574,231.14719022745336,115.6978425138362,182.54441819482818,231.36952768028095,12.17734356212005,115.6978425138362,0.24849480021904924,0.05305504654351262,0.0027923708707111904,-5.579208051736932,155.67097831833965,8.193209385175772,9.590714866528016,239.00609128240256,118.96189850903164,186.3482940669586,238.03772273009903,12.528301196321001,118.96189850903164,-1.082294264339282,0.10543960238849365,0.005549452757289139,-4.274272260497336,157.15982843543588,8.27156991765452,9.608800275765082,231.57854944287482,115.87584181437643,182.75023701937857,231.73345897760782,12.196497840926726,115.87584181437643,0.17313418587804108,0.055882165857580546,0.0029411666240831864,-5.480568973896066,155.6385851051354,8.191504479217652,9.590319458788956,241.8151319333355,121.10679057806946,190.4517915118377,242.16874684814672,12.74572351832351,121.10679057806946,0.42592592592595224,0.15317177577875352,0.00806167240940808,-3.5647710127292136,160.61179501828695,8.453252369383524,9.65008146030763,0,11.996163381923397,15.997945681813368,-0.4217337066197282,0.06985084328110308,3.946405246312899,7.957900900326981,18.0,52.0,50.0,50.0,16.0,2.0,2.0,0.0,0.0,2.0,37.16903799999999,3.599963879212549,3.502508788905812,3.406991063012128,3.2652097916246525,3.113949372284732,2.8779754691057198,2.7020236301191063,2.4470568015161343,1.940345987383789,1.899943897707262,1.8141507763444253,1.7083909200569192,1.5778552041960667,1.442269309731166,1.2836480583326457,1.143906452154197,3.621095826731047,3.5260884865344146,3.428297465780497,3.2850712411124787,3.1270734018526425,2.893410602075694,2.721081812317571,2.457661071381207,1.8879327876826677,1.843169139967846,1.7586519403155072,1.649394605550306,1.5154929538241266,1.371292767022972,1.211311439803804,1.0562498783467948,3.717856065589835,3.648370155741431,3.557344344469603,3.4299486008819,3.282512681835546,3.0901345950434944,2.9222608086538004,2.7094496403220036,1.73725247604128,1.6689998751828963,1.576104717854353,1.447010317336891,1.2960289322331031,1.1064635466229669,0.9383955187400876,0.7255679579997284,3.6368842589778696,3.5453727678984275,3.4475906512545826,3.305480640450773,3.146508171087972,2.918268929185736,2.7462058579071797,2.4865483176845378,1.8550147258781826,1.8074630765801183,1.7235029936027124,1.6124174206360367,1.476899671071997,1.326161666160711,1.165280681000444,1.000658966997149,3.7664681249413485,3.7052574033427987,3.6156187580846724,3.492764794973928,3.3475065631538596,3.170141507864989,3.004492111368806,2.807985750364914,1.6926540776661874,1.615450465488544,1.5209654793070555,1.3870132514639963,1.2334582676757562,1.028466158561189,0.8589944292582917,0.6281521033111225,4.333294814044914,3.741924650335988,3.553538829616558,3.441868454044587,3.34256652138071,3.121771209131059,2.9260606710085058,2.726705079351223,1.8234576870240624,1.7650486081338814,1.6557491607585133,1.525150964092273,1.3640425329890187,1.2255144314913726,1.0079837590950234,0.859825854163703,0,0,0,4,0,2,12,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.020815280171313,9.414213562373096,6.303300858899108,4.207106781186548,2.7980970388562802,1.8535533905932737,1.2222718241315031,0.801776695296637,0.737937646324806,0.5230118645762831,0.3707824034646534,0.26294417382415924,0.1865398025904187,0.13239667075666242,0.09402090954857717,0.06681472460805309,12.949002827683584,8.322994375725504,5.307895493663375,3.358747757708131,2.1000073453090957,1.2809837893499805,0.7790333820755007,0.47447089834738826,0.6815264646149255,0.4623885764291946,0.3122291466860809,0.2099217348567582,0.14000048968727305,0.09149884209642718,0.05992564477503851,0.03953924152894902,27.925871768776666,51.42388929351791,48.68235294117642,49.320000000000036,32.05566586826352,406.3775520958084,0.5269032409203145,0.9702620621418474,0.918534961154272,0.9305660377358498,0.6048238843068588,7.6675009829397816,5.6445800000000075,85.90380000000007,125.01620054396592,198.3369898780148,250.03240108793187,13.159600057259572,125.01620054396592,7.771561172376096E-16,4.0902953538821554E-17,-66.1026917991814,2000090.626599441,105267.92771576006,27.566535796514916,486,1.0,0.0,1.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,13.0,3.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,13.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.613657671934366,0.0,8.65545772436258,9.230552076460127,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.613657671934366,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1304864775191323,0.0,0.0,3.6683558505465013,1.0187345679012347,0.0,1.1304864775191323,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.249100437967578,0.0,15.36488976120971,0.0,9.230552076460127,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.65545772436258,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.613657671934366,0.0,8.65545772436258,2.2927085690460856,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.613657671934366,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.27324113441672965,0.0,0.0,0.22040298811635048,0.31166666666666665,0.0,0.27324113441672965,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.249100437967578,0.0,0.3558531485134049,0.0,2.2927085690460856,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.65545772436258,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.613657671934366,0.0,8.65545772436258,2.323517731166541,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.613657671934366,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2911472249564886,0.0,0.0,0.45880182080502596,0.38750000000000007,0.0,0.2911472249564886,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.249100437967578,0.0,1.359606928555736,0.0,2.323517731166541,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.65545772436258,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,35.5,1.868421052631579,0.613657671934366,8.65545772436258,0.22040298811635048,0.3558531485134049,10.962042835513909,1.1441468514865951,2.65545772436258,8.270220477580569,1.1441468514865951,2.65545772436258,8.270220477580569,9.33333,0.49123,0.0,0.00877,0.45786,0.74035,0.42881,0.44678,0.71833,0.02905,0.01108,-0.01797,0.02202,0.66351,0.05078,0.0,0.08929,0.0,0.0,11.25,0.59211,9.25,0.48684,2.0,0.10526,-7.25,-0.38158,0.0,0.0,21.4447,1.12867,25.65601,4.21131,0.22165,7.99017,0.42054,9.41421,1.42404,0.07495,-2.1E-4,-1.0E-5,-2.1E-4,-1.0E-5,0.0,18.01,1,1,1,1,1,1,0.7777777777777778,1.0480641030825737,2.191868117361682,3.474652945080899,4.204730719597151,4.437234191231752,4.625913436514771,55.547397463376406,116.16901022016916,184.15660608928766,222.850728138649,235.1734121352829,245.17341213528286,0.18297462602638345,0.38266385414195314,0.6066168293787644,0.7340763114556548,0.7746675650317018,0.8076078348520875,4.679856351480626,3.5360523372015176,2.2532675094823005,1.5231897349660484,1.2906862633314473,1.102007018048429,0.18211721822339164,0.3808707149423303,0.6037742603612412,0.7306364751728756,0.7710375206402621,0.8038234343895904,8.492274901744878,17.221193973860544,22.437950271397096,24.18061440140192,25.244535330934628,25.849490052745953,71.97991557534294,50.197281315017264,35.61060531878643,28.775631788504143,26.02676710402036,24.35918648651527,19.0,18.0,18.0,19,2,18,3.33,2.617499999999999,0.0,2.368665391348515,0.0,0.0,29.494413321441016,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.429,0.423,0.649,0.47700000000000004,9.486,17.0,16.0,15.0,14.0,13.0,12.0,11.0,10.0,9.0,154.0,3.044522437723423,3.091042453358316,3.1354942159291497,3.2188758248682006,3.295836866004329,3.367295829986474,3.4011973816621555,3.4339872044851463,3.4657359027997265,3.4339872044851463,5.638354669333745,1.8181818181818181,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,0.7777777777777778,16.0,0.8888888888888888,2,9.0,18.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.027777777777777776,0.013071895424836607,0.0078125,0.005333333333333334,0.003968253968253968,0.0031397174254317113,0.0026041666666666665,0.0022446689113355773,0.0020000000000000005,0.0018365472910927456,0.08404039686301618,125.01620054396592,198.3369898780148,250.03240108793187,13.159600057259572,125.01620054396592,7.771561172376096E-16,4.0902953538821554E-17,-66.1026917991814,2000090.626599441,105267.92771576006,27.566535796514916,20.23,323.4014912653624,5.247927513443585,4.2626798770413155,4.919980925828125,5.58724865840025,6.255750041753367,6.928537818164665,7.601402334583733,8.27664912542186,8.951699168308815,9.62832676063802,99.41227471014015,3.6109179126442243,0.0,4.653960350157523,0.0,5.820082930352362,0.0,7.0431599159883405,0.0,8.298290634359283,8.640472207576408,266.2609657080003,5.023791805811326,36.82842843374334,1.9383383386180706,2.4142104021744073,2.4142104021744073,0.0,1140.0,16.0,7.974000000000001,70.0,1.2296092570188675,2.1445456989808553,2.891211406047459,3.6570777500157927,5.001843313732731,6.027407450863004,7.36978224476896,8.472685638170235,9.763220805114216,10.91571567637723,84.4234200686217,81.68669286491676,83.31120912323117,112.70322205359938,141.65238562612464,173.29486484238925,207.98447930481152,234.4460199454217,258.37305899995056,291.4582549752953,296.41246789268246,351.8559206435238,366.4848950294867,498.90093784103914,634.3631708652952,778.4796182248385,937.3312045215274,1066.6286533573054,1181.5225135511262,1340.971077327513,9.082046116184312,15.493139900884325,20.45055248251984,26.061609693090514,35.47808859210499,42.87272155233548,52.41636324734248,60.31076532399395,69.38652344079134,77.43253907292586,2.182831267975976,2.8626888151109413,3.1095161369695354,4.189404961307957,5.400029697252366,6.60967573316687,7.981066409280985,9.112013680533696,10.16478375979544,11.554541467729818,176.02741193985463,328.19336705565917,471.2308511618742,585.0825727309216,812.3729982037338,974.0695182725838,1194.224828972691,1373.6017863796158,1595.0661753198142,1773.0336422769942,2.771348015320465,4.08755844417603,4.807606882254366,6.412622138499386,8.574080593765208,10.634696096128982,12.927177375195713,14.98199808432002,17.428552502431245,18.904216725540095,0.4585113756191354,0.6115709441006901,0.6705281800230258,0.9024825710327777,1.1676282340069066,1.4305287725599265,1.7308182037139952,1.9803619515328317,2.2167941752841713,2.511334453053651,662.0114574292394,887.8318603511592,25.372986004665254,151.67364712728545,-203.4114285849148,-22.389403170798012,510.33781030195394,1091.243288936074,47.76238917546327,0.8135966281330039,1.0911246320959087,0.03118280752907976,0.18640337186699604,-0.24998789758573525,-0.027516053870742414,538.668861955928,722.4155601184469,20.64562077011729,123.41458742123471,-165.5128495361085,-18.217923859988968,0.15638027644881103,0.29505780068110216,3.559776132618371,10.864964143730301,754.0983448900389,59.58675966648585,0.9267692632778844,0.07323073672211544,1197.5534539000819,34.605685282913875,10.619358991755773,1544.4657178842335,39.299691066015185,11.559155095544954,2021.9593278129216,44.96620206124731,12.645154456170111,5.281156667060609,5.281156667060609,12861.334558825401,12798.765590127612,107.92892616128483,1.0048886721346044,119.1648524289579,118.5851286151187,7.847502748195863,12.073275529035191,23.206978099916412,0.922177460798076,14.19979803943613,15.192610449279591,9.420408153508722,62.98427230060834,33.684791648512714,0.8306009758131434,15.414861079371676,12.94904641272266,51.395687184652765,0.34902174234871475,1.4333957165182607,37.03425518225097,2.6877189292224344,54.45412578469984,0.0011779592357825726,0.8968524057849956,26.869523901371007,0.2665939852006073,50.42666821708938,2.3474372160624406E-5,0.5416531493329549,17.097266212184845,0.5859535215050551,47.40873123566724,5.1001522567687874E-5,1.1726925135798427,9.619832559532385,1.3096107894519553,33.646136341183976,6.765095675384506E-5,1.2175282468756368,15.353041468399885,0.8282957595888456,16.8414697767445,0.24653630016163416,0.07948551504318356,2.4519161998085077,0.09818502170506373,14.915561239823873,0.0024625158539664086,0.12011215636804645,2.8493001686816135,0.030086582878618037,12.425326571978891,8.488411132633432E-6,0.17485782922354262,1.1531911064809295,0.020735416447948327,9.112186097243317,6.61639884393411E-7,0.3445569957334939,0.37433249970774296,0.049070508516807526,6.089705163138462,4.2288410004480005E-6,0.49292721466632733,0.11120907797422051,0.06643442855378796,3.737396441923461,5.537598784841155E-6,3.7753392915405852,15.033014718665154,2.414156331287114,19.99819876161757,2.4961437006594274,0.23059021638493526,4.917145011343995,0.9683293361893238,19.238383514474997,0.025627338348199146,0.28220280453028346,9.061057543563297,0.22592662753011336,18.622855785040226,8.694866876621082E-5,0.2278437326094145,4.394400312888237,0.0680147239271317,15.107999561652766,2.9979955730649724E-6,0.3250294453086466,1.9025712064386044,0.15846671782779587,11.84336198808402,1.3685058632283458E-5,0.4726828583142351,0.8169759135438605,0.2428735392016566,7.7876041484784855,1.796821299969937E-5,13.692673986275338,15.363155956653227,9.380196287195353,58.22505606710072,30.018943134164733,0.7849714213864485,15.139277681976159,11.542175965513685,48.87408635875818,0.3109750685424134,1.322535941364812,34.86347908711133,2.402391105306446,51.907400303447574,0.001049672632557602,0.8356297281771966,24.603275157014103,0.2505148346924507,47.80970817900225,2.1256980007908566E-5,0.568220381094967,15.406566841283574,0.553018828694007,44.336492372230175,4.810591085064808E-5,1.1473338427244895,8.601416406774588,1.2066125176854616,31.12452615649782,6.376067090364962E-5,5.477362870649161,14.91214291919582,3.4144403834599726,24.01488035709554,5.399093523311896,0.33503478499429107,6.515831112274063,2.0861552877998673,22.989558120494635,0.05565535528891715,0.4253023237039853,13.503798558905597,0.4632890875980305,23.421890461783594,1.8839180717500172E-4,0.2930717238217461,7.210944097261147,0.10133324244161411,19.80632133720007,5.290748642265931E-6,0.32732014114983027,3.5114325315864976,0.23362117110600628,16.50773423978807,2.0203500065165057E-5,0.5089249276370056,1.6680390282564155,0.3868361382748802,11.179634124465695,2.6575090059015687E-5,17.382622887490047,15.307063494232793,11.795830926405309,83.91889490361902,49.095799238576944,1.0031671463659466,18.81109902817064,18.862188230538106,64.89775125022108,0.5090012960023007,1.9033245122430948,46.14365637850055,3.8833961798589143,67.98538542288487,0.0017173168029691033,1.2008590437803262,36.14009036780575,0.32729513281044886,63.88134126950605,3.261634965370521E-5,0.6371117326300719,24.114473911255885,0.707976292937944,61.35616591260927,6.175925866573343E-5,1.5088160034195937,13.88926416556588,1.7238417652624125,43.89663982230081,8.215456842062794E-5,10.058377015843062,15.515822119710803,8.51410043476238,35.49498162634769,12.5802501325032,0.47521196803462384,13.135156883979164,4.8379313863854785,35.519338745410536,0.12995990021762546,0.7281473530608135,22.192857576572674,1.0546834680388242,38.46914421037959,4.393401855368292E-4,0.5699382273658001,12.871899480241135,0.14491536108978717,34.32690583784995,1.1112658126040134E-5,0.8126124592997889,7.173308358234293,0.43579363792726084,27.64384704506363,2.83579669534125E-5,1.050752569133539,3.698293743235843,0.6282326723428966,17.76266814796824,3.744167637389914E-5,49.337562585481706,0.8679797818699888,0.42358529402959233,0.9744896833985003,0.01714388183172398,0.5814133402436533,0.6827018113064779,0.5406549794045723,50.62912766138129,64.09033623653315,132.85908341445312,0.9617345250977504,1.8047701309547035,48.11478218135178,0.32009438802677487,0.08527943673444212,0.9916452489412825,0.006597142597530943,0.5530381287717944,0.09295316472506877,0.02203060122341984,48.52015600611299,19.5317707495202,69.36533853609674,0.9874678734119237,0.668021894720283,46.99269469506703,0.5356061676261411,0.2181120872495529,0.9842141386481559,0.011217725783666093,0.5274798371703454,0.26037228945600915,0.14392364739983593,47.74641294994272,35.536074016636874,88.77227596567742,0.9763212079722338,0.9317757740261905,49.78708583515585,0.8493896370739298,0.4121397334470293,0.975287686738647,0.016638837971445587,0.5920640208570711,0.654164548155156,0.5120938882134674,51.0486152056768,63.15793827231344,131.63538013931515,0.9629315301079704,1.7583224572256944,46.94507659433651,0.6354979979073325,0.2798647892612507,0.9808743338131093,0.013278148009500109,0.5263965858174153,0.3661061725508463,0.2366612267244558,47.860439381505095,43.14962966849477,99.35941585257565,0.9713115007196639,1.1291639850927175,49.81680401958875,0.9103855566295426,0.44978907749542774,0.9734221388228383,0.017788966456765993,0.5927632638487409,0.7510332519674454,0.6093062682961492,51.17697865371372,68.16903466030105,139.74507193696243,0.9601332082342576,1.9531027841123356,49.75674853846299,0.8510338548781263,0.41331964054315895,0.9752190085078603,0.016680036709378315,0.5913420380406742,0.6566726833475166,0.5150045612272579,51.021102033884276,63.2618679423919,131.7848568656464,0.9628285127617904,1.7630192826154487 +UMLCN0045,L,2-ethyl-1-hexanol,CCCCC(CC)CO,Alcohols,,C8H18O,NREL (2014),IQT,PubChem,,23.5,0,-1.2606000000000002,1.5891123600000003,35.0636,26.884273999999973,0,0,27,9,18,0,8,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1428.370120999998,1423.9603239999994,1584.441987999998,1645.5950399999967,1393.3406859999968,968.1400320000002,584.7489100000001,153.451872,12.192768000000001,4164.033390715742,5299.883923245411,6985.921522686811,7426.280764084165,6710.551236091389,5158.023893280759,3409.9019044848533,1670.872095088635,373.00493317116315,194.60819600000008,193.2884080000001,354.9566319999999,469.31035199999974,475.52519199999966,430.23712799999976,298.20505600000007,212.60620800000012,80.62156799999998,30.957436287281975,40.32666125600001,58.00115860533905,64.68879431177209,59.6017539597721,47.76483477516808,32.79596883867798,18.291372224979998,5.335354858188001,4528.323870958982,3829.171408860451,7732.797882665241,10870.885210419225,11019.726780614774,10286.34105148682,7168.655345837179,5325.76370456373,2219.011824290988,75.02777777777777,59.83333333333333,90.66666666666669,111.50000000000001,127.83333333333334,110.0,77.0,52.0,12.0,52.902597074074,54.76770476923075,32.335550775510164,24.933258181818132,21.111222515151468,16.135667200000004,13.9225930952381,5.1150624,1.016064,154.22345891539786,203.84168935559273,142.5698269936084,112.51940551642674,101.6750187286574,85.96706488801264,81.1881405829727,55.695736502954496,31.083744430930263,7.207710962962966,7.434169538461542,7.244012897959181,7.110762909090905,7.204927151515147,7.170618799999996,7.100120380952383,7.086873600000004,6.718463999999998,1.1465717143437768,1.5510254329230773,1.1836971143946744,0.9801332471480619,0.9030568781783651,0.7960805795861348,0.7808564009209042,0.6097124074993333,0.4446129048490001,167.71569892440675,147.27582341770966,157.81220168704573,164.71038197604886,166.96555728204203,171.43901752478033,170.68227013898044,177.525456818791,184.917652024249,2.77880658436214,2.301282051282051,1.850340136054422,1.6893939393939397,1.936868686868687,1.8333333333333333,1.8333333333333333,1.7333333333333334,1.0,0.23847075951673818,-0.10326946959641509,-0.04345921130086262,0.04059384072418121,-0.00902287649597427,-0.018805352732623796,0.019345953197929908,-0.02386060373217921,0.01924234017757472,800.2177742962954,-66.87771672976639,-251.0474815377226,40.30235053497938,-163.51571820576146,-33.103764362140055,-71.81040853497962,-28.740761069959092,174.68461275720142,1266.518059790474,-76.37381503272285,-383.26422068251156,-82.24994447206981,-304.7063355567642,57.15127508912127,-171.4977452617174,53.03797474691005,274.64378127451636,1.1226669629629635,-0.08191248285322172,-0.15004019204389463,0.11250979423868215,-0.14019272427983454,-0.21375739917695447,-0.028844016460905956,-0.14572092181070007,0.08662446090534835,5.603020215168077,-0.22897821585605505,-1.5040791287751207,-0.8217837329218052,-1.441115375683437,0.5073563481316778,-0.9047636405330826,0.4955625285102776,1.0962911095435155,30.804230646545797,-1.0779021461589444,-7.848057471912737,-5.2187867218879,-8.021264333569855,3.1015468989126664,-5.167059756735462,3.0820947434147343,5.74731346466459,24.779835390946488,-2.734491693339428,-3.673487273281515,1.9599908550525824,-1.7149062642889836,-4.794695930498412,1.009144947416551,-4.033150434385011,1.591678097850936,0.008832250352471784,-0.003971902676785196,-8.869226796094412E-4,6.150581927906243E-4,-1.3671024993900407E-4,-3.134225455437299E-4,4.606179332840454E-4,-7.95353457739307E-4,0.0016035283481312267,29.637695344307236,-2.5722198742217843,-5.123417990565767,0.6106416747724149,-2.4775108819054767,-0.5517294060356676,-1.709771631785229,-0.9580253689986364,14.557051063100118,46.90807628853607,-2.937454424335494,-7.821718789439012,-1.2462112798798457,-4.616762659950973,0.9525212514853545,-4.083279649088509,1.7679324915636685,22.886981772876364,0.041580257887517166,-0.0031504801097392973,-0.0030620447355896863,0.0017046938521012448,-0.002124132186058099,-0.003562623319615908,-6.867622966882371E-4,-0.004857364060356669,0.007218705075445696,0.2075192672284473,-0.008806854456002117,-0.030695492423982056,-0.012451268680633412,-0.021835081449749046,0.008455939135527965,-0.02154199144126387,0.016518750950342588,0.09135759246195962,1.140897431353548,-0.04145777485226709,-0.16016443820230075,-0.07907252608921062,-0.12153430808439174,0.05169244831521111,-0.12302523230322529,0.10273649144715781,0.47894278872204915,0.9177716811461663,-0.10517275743613184,-0.07496912802615337,0.02969683113716034,-0.025983428246802782,-0.07991159884164019,0.024027260652775023,-0.13443834781283368,0.132639841487578,-0.44970449412970087,-0.10041865257603663,0.06963776707467251,-0.01547852976118872,-0.035486148267526836,0.052151820306490446,-0.09005105448768447,0.18155376989313543,-0.08678879529395839,-0.1728682993412936,0.02060354786964588,-0.08359323669144042,-0.0186157999002997,-0.05768908857191689,-0.03232455688166903,0.49116676900777356,-0.06262150692914649,-0.16674567384360148,-0.026567094165496803,-0.09842148783831643,0.020306124805167983,-0.08704854200312681,0.03768929854827016,0.4879113275099227,-0.07576865247594111,-0.07364179279198133,0.040997673865149645,-0.05108511331998703,-0.08568064510935718,-0.016516547313055758,-0.11681899793639569,0.1736089539168738,-0.04243873146635153,-0.1479163493295828,-0.060000542826350915,-0.10521953812467894,0.040747730311804044,-0.10380718729865887,0.07960104703028825,0.44023667624745777,-0.036337863258296625,-0.14038460759113414,-0.06930730486035003,-0.10652518337271107,0.04530858506174719,-0.1078319828954909,0.09004884104723804,0.41979478221266286,-0.11459577539457966,-0.08168603321092627,0.03235753700754116,-0.028311429498841342,-0.08707132774225718,0.02617999786479399,-0.1464834343602096,0.14452378975338365,1.3984611970832306,0.8357034237274092,0.5797743953415246,1.0593182138156887,1.2709399827638415,1.0526477297132175,1.3113483421809076,0.4751979191336664,1.4363317410822998,1.278166428981216,0.9273400650608665,1.0634888938636062,0.931361328469287,0.9292549523982094,0.8240040237961332,0.0,1.5574440224823294,1.362627749544799,1.0390395423784504,1.0429608968255248,0.8090209126633406,0.9295068615617313,0.6248374584969507,0.0,1.0490555426087236,0.8848208920762907,0.6078459851170648,1.1973190534679423,1.3344079613597348,0.9538278785659554,1.3700730350823334,0.0,1.5956499431214006,1.371739254743523,1.0796358851690164,1.0461837986511995,0.7721120664238685,0.9331959714808507,0.5490941358882895,0.0,1.5987558061546132,1.3662535071927142,1.084839522347482,1.0498901356172687,0.7697098733082145,0.9347777847097359,0.5383503468520664,0.0,1.0985634808602514,0.8743668521132614,0.5957176179296917,1.1777456538313473,1.3406958399070006,0.9305761497491137,1.4339616374657487,0.0,47.03281355633406,23.64140677816703,35.336626970685685,47.227258000778505,5.247473111197612,23.641406778358814,0.25,0.13341386967483204,0.01482376329720356,-1.8128692622963043,41.59671246510257,4.6218569405669525,3.3552190231768884,47.036200671506705,23.6427331253027,35.33810846973278,47.23007389969459,5.247785988854954,23.642733125494203,0.24926557909869373,0.13335886365104066,0.014817651516782295,-1.8132404053400228,41.59269517716476,4.621410575240528,3.3551320996309872,50.10057348764316,24.850789504792576,36.72432272162689,49.790244449153604,5.5322493832392885,24.850789504845814,-0.3989944780580075,0.07712805213339824,0.008569783570377583,-2.3060594013181164,38.92965937626867,4.325517708474297,3.295580770743987,47.03975569616908,23.64412524819401,35.33966351799097,47.2330294296727,5.2481143810747435,23.64412524838522,0.2484948002189391,0.13330111741325457,0.014811235268139397,-1.8136302022237731,41.58848148747058,4.620942387496731,3.3550409174457845,53.46210202339879,26.189903879529822,38.39062130722106,52.620317595579465,5.846701955064384,26.189903879543426,-1.082294264339147,0.006982516027019603,7.758351141132892E-4,-4.467911368351559,38.610413267008084,4.290045918556454,3.288169812460567,47.388451767763634,23.780792976820962,35.4927289817259,47.523111690113424,5.280345743345936,23.78079297698556,0.17313418587828977,0.12756844721398547,0.014174271912665052,-1.8531919957834564,41.18864088468573,4.576515653853971,3.3463462604931187,52.18941201184586,26.350193253763667,40.0560627600511,52.57191428530511,5.841323809478345,26.350193253777558,0.5781249999999964,0.12536955451121146,0.013929950501245717,-1.8688405205275056,35.82106322784508,3.9801181364272313,3.2206824708403077,0,11.996291912426313,15.997943027739842,-0.4213058133731438,0.07238371487722016,4.3794520175775,8.348817898958137,8.0,26.0,26.0,26.0,8.0,0.0,0.0,0.0,0.0,0.0,19.677725999999996,3.5510011416600116,3.21045048184795,2.8323450780067914,2.6225707971526484,2.06771650833421,1.693798056325985,1.426652039068696,1.242758382654433,1.9236378076023277,1.7213811396821717,1.448383083024846,1.2671950595545136,0.9331057945498121,0.80535812678472,0.5851286959052646,0.4262963388779824,3.5640177402347297,3.237028095051981,2.828367920292156,2.61026500986498,2.0698079057955105,1.7775511841858136,1.406904222143752,1.2794320398707546,1.8734212285431893,1.6517851035765743,1.375610177378795,1.2101792212217601,0.8393776317551673,0.6714095741705076,0.44300070471620007,0.37716584191021146,3.6873998404703534,3.4009020455659864,3.0686496122558817,2.8827641912267947,2.4137846036898787,2.153344402717539,1.8933920059360065,1.8058443069363295,1.6994619543036138,1.424624872594989,1.0740376349737926,0.8690508829756757,0.42234716583055215,0.21878008128515836,0.07893515066562375,0.22734232076268907,3.580067863731442,3.2615154678451344,2.8553381062382437,2.629093946707078,2.1039918317735298,1.8416197964340164,1.473876582042461,1.2984429568940596,1.8421887795176817,1.6076733731709072,1.3336881021218978,1.1693350216059952,0.7773464808875066,0.5819134114114493,0.36471906576686103,0.30664190170255334,3.739695684219293,3.4741048067272513,3.153207443113591,2.971938545703626,2.536189298937762,2.3170921844897294,2.051579211566062,1.9811362132850738,1.6493942900877483,1.3549495427792932,0.9859149398864883,0.780177046659227,0.29872759062335635,0.06023093694759408,0.2603435743868863,0.3804848734208927,4.399347296541534,3.5202370055432315,3.314441406169256,2.925871946441555,2.484557077015851,2.0133868040670766,1.9347855308473703,1.5868064430652637,1.8091435682507273,1.5045252101405897,1.133884729336531,0.9281312961739951,0.5482303101593033,0.4153276815395976,0.16563307007795683,0.08078054440406193,0,0,0,0,0,3,4,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.5525858577612696,0.5948613524427102,0.3061862178478973,0.4397488054468657,0.40223645526769014,0.24976769169069538,7.112884175122364,4.346065214951231,2.8247505099002517,2.12062636466832,1.1897227048854206,0.5773502691896258,0.2886751345948129,0.0,0.7903204639024849,0.5432581518689039,0.35309381373753146,0.26507829558354,0.19828711748090344,0.14433756729740646,0.14433756729740646,0.0,6.560097770622322,3.9551861997815223,2.599076405271444,1.8014749852258551,0.9173099628497842,0.49756242432900966,0.20888728973419673,0.0,0.7288997522913692,0.4943982749726903,0.3248845506589305,0.2251843731532319,0.15288499380829737,0.12439060608225241,0.10444364486709837,0.0,13.591249338489726,26.321194464675887,24.878431372549027,25.239999999999995,15.667229940119753,208.66612215568864,0.5033796051292492,0.974859054247255,0.9214233841684825,0.9348148148148147,0.5802677755599909,7.7283748946551345,2.1951000000000014,40.391799999999996,24.098784622599794,35.85217662934819,48.1975692451996,5.355285471688845,24.09878462271668,0.1136937814999619,0.012632642388884655,-1.956821914704633,40.35934639932048,4.48437182214672,3.3280407009771382,74,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,5.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5857029478458049,0.0,8.752651171579743,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5857029478458049,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.214297052154195,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.320080309901739,0.0,5.200462962962963,0.0,0.0,0.0,0.5601388888888886,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.752651171579743,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5857029478458049,0.0,8.752651171579743,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5857029478458049,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22040816326530613,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.135462962962963,0.0,0.3715277777777779,0.0,0.0,0.0,0.5601388888888886,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.752651171579743,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5857029478458049,0.0,8.752651171579743,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5857029478458049,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1846173469387757,0.0,1.262962962962963,0.0,0.0,0.0,0.5601388888888886,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.752651171579743,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.833333333333332,2.0925925925925926,0.5857029478458049,8.752651171579743,0.22040816326530613,0.3715277777777779,4.610956869803477,1.128472222222222,2.752651171579743,6.145462962962963,1.128472222222222,2.752651171579743,6.145462962962963,4.33333,0.48148,0.0,0.01852,0.46173,0.78519,0.42414,0.46173,0.73667,0.03759,0.0,-0.03759,0.04852,0.61321,0.10108,0.0,0.30769,0.11538,0.0,4.25,0.47222,4.25,0.47222,0.0,0.0,-4.25,-0.47222,0.0,0.0,9.07564,1.0084,10.02592,0.95028,0.10559,4.01749,0.44639,4.34606,0.32857,0.03651,0.06794,0.00755,0.06794,0.00755,0.0,8.01,1,1,1,1,1,1,1.0,1.086048612313038,1.8109294169317733,3.06934027978099,3.513784724225434,3.5562012808079033,3.4821272067338294,29.323312532452025,48.89509425715788,82.87218755408672,94.87218755408672,96.01743458181339,94.01743458181339,0.22840679444442943,0.38085641692002226,0.6455127021163893,0.7389837767195682,0.7479043992502105,0.7323258868163474,3.668838889850431,2.9439580852316958,1.6855472223824792,1.241102777938035,1.1986862213555658,1.2727602954296398,0.2310525562367053,0.3852680867159277,0.6529900315357811,0.7475438331150535,0.7565677881332967,0.7408088212034181,9.449442116690685,15.87964141650545,19.590604933070058,20.0385271695145,20.081275637009558,18.88505876645632,33.38680559561979,23.97499499292383,20.272237976905316,18.857589825552033,18.717458719415223,16.31623325509008,9.0,6.125,4.5,9,0,7,2.23,1.2945000000000004,0.16666666666666669,3.604654325043382,0.7071067811865476,0.0,4.6105395574086385,3.4941355938578966,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.403,0.395,0.41000000000000003,0.19,4.388,8.0,8.0,6.0,4.0,2.0,0.0,0.0,0.0,0.0,45.0,2.1972245773362196,2.1972245773362196,2.1972245773362196,1.9459101490553132,1.6094379124341003,1.0986122886681098,0.0,0.0,0.0,0.0,3.828641396489095,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.625,8.0,1.0,0,3.0,6.0,1.0,1.5,0.666666666666667,0.375,0.16000000000000003,0.11111111111111113,0.0,0.0,0.0,0.0,0.0,0.1875,0.08333333333333337,0.046875,0.026666666666666672,0.027777777777777783,0.0,0.0,0.0,0.0,0.0,0.37215277777777783,24.098784622599794,35.85217662934819,48.1975692451996,5.355285471688845,24.09878462271668,0.1136937814999619,0.012632642388884655,-1.956821914704633,40.35934639932048,4.48437182214672,3.3280407009771382,20.23,155.71456240829454,4.169925001442312,3.4965075614664802,4.174387269895637,4.875197323201151,5.579729825986222,6.289715570908998,7.00033446027523,7.71289096149013,8.4252971767117,9.13873695311649,73.69279710305203,2.833213344056216,0.0,3.8918202981106265,0.0,5.153291594497779,0.0,6.499787040655854,0.0,7.884952945759814,8.179199798423086,130.135765196,4.8198431554074075,16.66420735271392,1.851578594745991,2.4240391904918615,2.4240391904918615,0.0,104.0,8.0,2.855,32.0,1.2279230769230767,2.1280921972279274,2.86371168209237,3.51476818795723,4.327652707412524,5.422002266762156,6.636820993122546,7.852439986269926,0.0,0.0,78.91090557965383,77.1861367872059,80.25139082063622,85.33493265321702,85.06868633667631,89.66807367502504,36.579094898693015,7.978581582209365,0.0,0.0,276.45110807137223,325.9507199572979,346.0144780987326,394.095793932122,417.71002124961046,487.89853946921966,389.32628269759095,244.08323769243188,0.0,0.0,9.155826991230766,15.470804232859813,20.427537307275845,25.374839803203024,31.00632509251523,38.735121188500564,47.134723791362184,52.75633535991499,0.0,0.0,2.045513112012384,2.6536425001030883,2.9463835233748124,3.4159702682787265,3.750496491413489,4.546682355750744,4.203132982063418,3.4912961524479127,0.0,0.0,178.40066502449514,332.2098576535353,468.29781806442827,579.4095587908107,731.4906421860031,913.4262252504715,1170.7739698772389,1452.0547649223606,0.0,0.0,2.8820961538461534,4.033297806441876,4.960614612734588,6.851300068407886,7.914988740613348,10.535023234324074,11.750475673722855,7.852439986269926,0.0,0.0,0.4386051576923078,0.5776091031432857,0.6513502837792012,0.7711340966744922,0.8532308099788057,1.042093961026191,0.9930833549161449,0.8040898545940403,0.0,0.0,393.6254588324512,296.1564883132857,11.218097737803566,188.36662301689645,-141.7235504877803,-21.366854603982546,205.25883581555476,437.880038801066,32.58495234178611,0.6763416051669644,0.5088668687247667,0.019275344266122575,0.3236583948330354,-0.24351456816635234,-0.036713308085029046,229.086900254803,172.36073118664117,6.528844056813756,109.62788308053484,-82.4819841954644,-12.435340193544123,0.2787637127271483,0.5255650404748778,0.5550141877743117,15.745805428609598,550.0413318890996,31.95074996024812,0.9451010572880633,0.0548989427119367,532.2508829243543,23.070563125427917,8.104112543152096,714.9614283786996,26.738762656089747,8.941853237589083,943.1473780234287,30.710704616199035,9.806781984760379,2.1920576058306214,2.1920576058306214,844.7210397823178,778.849129127488,134.40949888882528,1.0845759572571176,6.284682606256985,5.794598860692881,4.638251909802977,4.466158665423347,8.836778876532481,0.9786083609044471,5.455646851706508,7.508715325206876,5.465968234623419,28.062381937382302,12.677409106296915,6.038663954619541,8.134618615490117,11.433938967144055,11.275771333811903,2.6338670087236586,3.6373160389178683,9.705854253458998,5.322930797936216,1.529379794625284,2.474850258276845,0.24108105686345987,0.13932910995207265,1.5778104362607236E-19,3.446397419078224E-59,1.4519504420343953E-120,1.1798156019634413E-203,1.8490658661802625E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4777596838694458,7.152594069959672,0.4519797306487745,9.365936824791742,1.1157856410418951,0.36959280956371965,1.3401511302119669,0.5310902163623838,3.2153570214521645,0.15806158084096808,0.20067291869374612,0.47099563879417505,0.15612764922786407,0.8644091522894486,0.11275262794651261,0.0016980199715199876,9.81306313676862E-4,1.1112647912704614E-21,2.4273258818235872E-61,1.022620568239026E-122,8.309537752587714E-206,1.3023122084905E-310,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4228174197014407,6.94868029522485,1.2225179075186592,10.48972810120197,1.9418553955857478,1.09253848910013,2.071048888677412,1.9103634607785467,4.299665766718558,0.44692068470796287,0.536005602789664,1.5426639370314954,0.695043971826487,0.9089608193047567,0.42654080193916105,0.017694156127444002,0.01022596837965762,1.1580235914695827E-20,2.529460716669373E-60,1.065649476565307E-121,8.659179006924674E-205,1.357109730046205E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.3726436576121746,7.58223455777654,5.6289766425139955,27.315267692808966,11.457384545799398,5.755147963807815,7.751215798824862,10.57433439879813,10.585868087996877,2.425001004111,3.713775823241577,8.894666847816135,4.82517582562853,1.4568602806963589,2.2706819105604397,0.21479892705608863,0.12413972854974938,1.405800692531117E-19,3.0706780530364185E-59,1.2936617036012088E-120,1.0511944604891376E-203,1.647484397030775E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0300702727464905,6.900782841290875,1.6847266657119044,11.92171152470343,2.956668823107956,1.6685790264185891,2.7797925681802482,3.081267918430059,5.210076456645467,0.7104310644906944,0.7693532301231578,2.5189508002215546,1.2178719298141871,0.966504923720257,0.6919379890153574,0.03843390818324413,0.022212169782285754,2.515381983459243E-20,5.494326679911311E-60,2.3147330622456956E-121,1.880889389992962E-204,2.947823679656997E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.769113880700157,7.811867604263477,7.179402113834627,36.218545478628755,17.93115448011576,8.092728048289551,10.46082996951323,15.381205831410677,14.063441920194572,3.5408500918347534,5.150178479268708,13.15226414708151,7.377029492204861,1.8362832236535926,3.2984224112470413,0.35159384775844577,0.20319841249619847,2.301088236179779E-19,5.026246737875419E-59,2.1175332631208977E-120,1.7206501745377132E-203,2.6966887877054743E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.736317965720194,7.609257935544334,6.059473052684456,23.709703491090128,5.845928071695482,4.124717184812001,6.144785525754893,6.20315407241232,7.262150269045112,1.3681223514469991,3.8764940154454566,5.6288525533468805,2.376562975067628,1.599102895440038,1.4435387679301954,0.09368405198527406,0.0541430712311647,6.131346340267681E-20,1.3392645730403493E-59,5.642256398123204E-121,4.5847447241082296E-204,7.185440640376665E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.871727042410905,1.0455642053384273,0.6515788586892658,0.801940857668916,0.12201891175276382,0.5290744570254875,0.42261505098138885,0.4580325944183385,8.568870106438599,12.343571419519963,25.59392604597604,0.7029112865033741,1.409722102425215,5.75619697213534,0.7832421105839351,0.26554757968487885,0.8458792438105552,0.11509825800411211,0.37746727052475454,0.2521092156346999,0.06523696882566477,6.804986662404154,6.2450280863049485,14.24723491378327,0.7688188657158328,0.6948134549851191,6.246683797409553,0.821658526403569,0.41596793764067175,0.8346372049247678,0.1097841347699508,0.43806145393130264,0.2630493716414854,0.18002133729318828,7.4843102614537935,8.0728447828634,17.692169137354675,0.7519558073871516,0.8811321628659763,6.814935387377718,1.0512962619671207,0.6478393168257602,0.800432062929221,0.12347750754536707,0.5209841227791094,0.4284316357865994,0.44326905632815683,8.514070966170598,12.26057023600238,25.416096416681288,0.7006480943938315,1.3926848148938658,6.468421285390098,0.864732318458123,0.476417215213516,0.828268471501899,0.11072725230270904,0.46870854221390484,0.2889577269401798,0.2451768388419665,7.8095708190617374,9.087093553557581,19.561481643282363,0.7424027072528484,1.0028431079960511,6.940015928264406,1.078204552605652,0.6826812084348026,0.7976203129378034,0.12391871453173411,0.5397016229749223,0.44944800431712645,0.501981152333634,8.70090168930486,12.956645216387477,26.76588433918407,0.6964304694067053,1.4911307796256827,6.845216981299485,1.0521612389735626,0.6495379579048656,0.8008990422506744,0.12310419536580376,0.525592641321192,0.4290830459544202,0.4454823852129286,8.546916178177913,12.331918902085455,25.55698411448447,0.7013485633760116,1.4001580724885407 +UMLCN0046,L,Isopentanol ,CC(C)CCO,Alcohols,,C5H12O,NREL (2014),IQT,PubChem,,13.1,0,-0.16379999999999972,0.02683043999999991,24.456200000000003,17.603516,0,0,18,6,12,0,5,0,1,0,0,0.0,0.0,0.0,0.0,0.0,989.4813740000002,918.5254329999999,1003.3163769999998,769.312871,559.0345380000005,134.18496,6.0963840000000005,0.0,0.0,2706.980218882171,3340.9135197743126,4245.280187699815,4043.695316268814,2726.6690256260754,1125.6436940959309,186.50246658558157,0.0,0.0,131.67586399999996,127.96106800000001,226.76810800000015,280.4683880000001,275.7944880000002,158.40230400000002,40.310784,0.0,0.0,19.92305885818799,25.278695396000003,34.93808817079202,36.48214283988603,26.57775801722497,11.215664299037005,2.6676774290939997,0.0,0.0,3038.4348905434886,2530.053054313051,4960.1912857676925,6428.598676584787,6799.160258974276,3821.2802319179373,1109.505912145494,0.0,0.0,62.27777777777778,43.916666666666664,64.66666666666666,74.66666666666666,73.33333333333333,53.0,6.0,0.0,0.0,54.97118744444445,54.030907823529404,32.36504441935483,19.725971051282052,14.334218923076934,6.38976,1.016064,0.0,0.0,150.3877899378984,196.52432469260663,136.944522183865,103.68449528894395,69.9145904006686,53.6020806712348,31.083744430930263,0.0,0.0,7.315325777777776,7.5271216470588245,7.315100258064521,7.191497128205131,7.071653538461542,7.542966857142858,6.718464,0.0,0.0,1.106836603232666,1.4869820821176472,1.1270351022836136,0.9354395599970777,0.6814809748006402,0.5340792523350955,0.44461290484899996,0.0,0.0,168.80193836352714,148.82665025370886,160.00617050863525,164.83586350217405,174.33744253780196,181.9657253294256,184.917652024249,0.0,0.0,3.4598765432098766,2.583333333333333,2.0860215053763436,1.9145299145299144,1.8803418803418803,2.5238095238095237,1.0,0.0,0.0,0.22520332893064177,-0.10146218206112939,-0.025577947929783726,-0.004255897722312817,0.04905600484096419,-0.0596462958275827,0.029284654234523623,0.0,0.0,557.791235111111,-66.11605249382677,-126.62025046913547,-247.7438725185186,188.58742781481453,-117.759166851852,90.75629696296281,0.0,0.0,815.625294494212,-79.24525179610046,-166.68059242860147,-442.0647380420454,86.54347906152906,62.481445009360016,131.1530109487515,0.0,0.0,1.0599671111111104,-0.09514138271604818,-0.13657624691357972,-0.1011385185185191,0.20306281481481275,-0.4623425185185168,0.062152296296295435,0.0,0.0,3.576219349173775,-0.2657232229452341,-0.5933194469275056,-1.9509755686609662,-0.3830088407806307,0.9135230687540368,0.4913943359734073,0.0,0.0,19.767461101823752,-1.3264956297257633,-3.008159357474709,-10.57865727887482,-3.3658469772778643,5.872933100817898,2.522495591623397,0.0,0.0,23.75308641975307,-3.5754458161865563,-2.114883401920439,-4.25205761316872,7.093621399176958,-10.313786008230448,1.2860082304526739,0.0,0.0,0.012511296051702321,-0.00596836365065467,-8.250950945091524E-4,-1.0912558262340556E-4,0.0012578462779734407,-0.002840299801313462,0.0048807757057539375,0.0,0.0,30.988401950617273,-3.8891795584603983,-4.084524208681789,-6.352406987654323,4.8355750721747315,-5.607579373897714,15.126049493827134,0.0,0.0,45.31251636078955,-4.661485399770616,-5.376793304148435,-11.33499328312937,2.219063565680232,2.9753069052076198,21.85883515812525,0.0,0.0,0.05888706172839502,-0.005596551924473422,-0.004405685384309023,-0.0025932953466286947,0.0052067388414054555,-0.02201631040564366,0.010358716049382573,0.0,0.0,0.19867885273187638,-0.01563077782030789,-0.01913933699766147,-0.050025014581050416,-0.009820739507195659,0.04350109851209699,0.08189905599556789,0.0,0.0,1.098192283434653,-0.07802915468975079,-0.09703739862821642,-0.2712476225352518,-0.08630376864815037,0.2796634809913285,0.42041593193723287,0.0,0.0,1.319615912208504,-0.21032034212862097,-0.06822204522323996,-0.10902711828637744,0.18188772818402457,-0.49113266705859276,0.21433470507544564,0.0,0.0,-0.4770380003790733,-0.06594801138902694,-0.008722164528155149,0.10053684868261867,-0.22701883078907745,0.3901095206751059,0.0,0.0,-0.12550436013635508,-0.13180815891025408,-0.2049930486179132,0.15604467374215175,-0.18095735891234022,0.4881197009749588,0.0,0.0,-0.10287412340234443,-0.11866022317844954,-0.25015148558242334,0.04897241962930275,0.06566192178596934,0.48240170517302006,0.0,0.0,-0.09503873618769461,-0.07481584672418161,-0.04403845718419029,0.08841906334910228,-0.37387347507996843,0.17590818331470012,0.0,0.0,-0.07867358606807608,-0.0963330356225211,-0.2517883201618886,-0.04943022054012496,0.21895183062488865,0.41221828528521526,0.0,0.0,-0.07105236110903146,-0.08836102756497884,-0.2469946535108687,-0.07858711989691905,0.2546580277514485,0.38282542891519905,0.0,0.0,-0.15937996820349767,-0.051698410569378336,-0.08262034223572683,0.13783383975691682,-0.3721784971784972,0.16242203742203737,0.0,0.0,1.3816474886742791,0.7975235555366973,0.7039184114508018,0.5744032919381447,2.2410222844609935,1.3121246775083169,0.0,0.0,1.4094523407908959,1.1809582984429805,1.1279294891050569,0.6205909716296422,1.1541573802937708,0.0,0.0,0.0,1.590373361426113,1.2786052141359543,1.2569584597115337,0.702444932274726,0.4719123300036856,0.0,0.0,0.0,1.0439871090339912,0.8949354971533171,0.730864766712001,0.6245962542040496,2.60220185328302,0.0,0.0,0.0,1.6557110889917843,1.2951917399285375,1.274853025887716,0.7676368075138963,0.24023162127106046,0.0,0.0,0.0,1.661705788403622,1.290419824149703,1.2668229543574983,0.7856246064869613,0.22393010359827586,0.0,0.0,0.0,1.1214916839916846,0.867685768895447,0.7753378378378384,0.574494242763474,2.590139590139592,0.0,0.0,0.0,21.038438261402064,10.644219130701037,16.53344785981032,21.205104928068742,3.534184154678123,10.644280198589142,0.2500000000000089,0.034239349915724304,0.005706558319287384,-2.0246278283970103,18.44631191535584,3.074385319225973,1.7489186725907733,21.04159491587511,10.6454302474869,16.535418617293598,21.207771968607574,3.534628661434595,10.645491229755576,0.24926557909869018,0.03436060999024326,0.0057267683317072104,-2.022506657463734,18.45212233123496,3.0753537218724936,1.7491076372245022,23.855810252862227,11.728407887402103,18.45418448686149,23.58981393415688,3.931635655692813,11.728426535802779,-0.3989944780580217,0.14291685714211422,0.02381947619035237,-1.1672953418389047,54.2543840913971,9.042397348566183,2.3962102811400254,21.044907934492393,10.646701367355663,16.53748741669882,21.210571134638347,3.535095189106391,10.646762259908463,0.248494800218932,0.03448788838133865,0.005747981396889775,-2.0202882467950682,18.45823248716209,3.0763720811936817,1.7493062857396846,26.86533088716845,12.89151831141465,20.844967183828533,26.143801377609016,4.357300229601503,12.891523934600949,-1.0822942643391507,0.24294597179357857,0.040490995298929765,-0.8489497191962658,23.078330288238057,3.8463883813730093,1.8833364566954964,21.369272777222285,10.771203481550288,16.742138916685278,21.48469556780781,3.5807825946346354,10.771256264104423,0.17313418587828977,0.04700207946892787,0.007833679911487978,-1.8345380605386448,19.12118786478087,3.186864644130145,1.7704782195075288,23.146558488070646,11.864945910701994,18.915005561623598,23.535447376959542,3.9225745628265902,11.864965602079637,0.583333333333341,0.010495254464562565,0.001749209077427094,-2.7340992478424355,15.428807128252538,2.5714678547087564,1.64174181287004,0,11.996400566196222,15.997942234108704,-0.4216931449264837,0.06989637099499671,3.945673059613199,7.130879209467657,5.0,17.0,17.0,17.0,5.0,0.0,0.0,0.0,0.0,0.0,13.118483999999997,3.462418326837396,2.9164878195237867,2.333552793103047,2.040933934973658,1.285742340196921,0.964708207093647,0.0839230705186915,0.08392307051869145,1.8692480295803082,1.4392928454336151,1.249629722584356,0.837367765477924,0.4046649159548596,0.3680727461442417,0.08392307051869086,0.08392307051869109,3.4752401600542107,2.8702168011050317,2.405454587841288,1.9621479308197427,1.2374592608943418,1.0762898779881802,0.27091390189293735,0.27091390189293724,1.8161451124407324,1.398211226226586,1.1345406859483513,0.7777574177502995,0.342099113707069,0.21777254685527686,0.27091390189293646,0.2709139018929366,3.6129967411924846,3.1233871440476038,2.7042369872335206,2.3683808310229644,1.7871546415006136,1.5817453360349008,0.9439184268026226,0.9439184268026226,1.6247046919916657,1.088905786311077,0.7603185604308977,0.31518399474958897,0.26240882502058993,0.3429758704749756,0.9439184268026217,0.943918426802622,3.492727994979209,2.88074510892402,2.457539916041692,1.9769352146124985,1.263019407559926,1.1503297535048387,0.39927724550898225,0.399277245508982,1.7831401582984168,1.3732489619424764,1.0582626705327116,0.7395147654108909,0.2802830317700631,0.11094481365564873,0.3992772455089815,0.39927724550898175,3.670016378231301,3.191117386412671,2.8389820851496492,2.473156796678949,1.9445062850053947,1.7882593692443987,1.2076448229620893,1.2076448229620889,1.569734502380018,1.01533741829791,0.6313372621875604,0.19887600375628192,0.42202856725572463,0.5424733296114226,1.2076448229620875,1.2076448229620877,4.283658107910865,3.4502364604139455,2.657839583124695,2.623497440166121,1.7449371364212765,1.2908795042195602,0.6000000000000003,0.6000000000000003,1.7297254708855494,1.1526924484967849,0.8578395831246932,0.4414223774399828,0.02029028343684155,0.31034136425370346,0.5999999999999993,0.5999999999999996,0,0,0,0,0,3,1,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.2886751345948129,0.2886751345948129,0.0,0.2886751345948129,0.12909944487358055,0.0,4.99156383156272,2.770055610029662,2.1825219847121646,0.8660254037844388,0.5773502691896258,0.0,0.0,0.0,0.8319273052604533,0.5540111220059324,0.4365043969424329,0.2886751345948129,0.2886751345948129,0.0,0.0,0.0,4.4387774270626785,2.3791765948599526,1.9061287824621438,0.7064497140632064,0.2581988897471611,0.0,0.0,0.0,0.7397962378437798,0.4758353189719905,0.38122575649242874,0.23548323802106882,0.12909944487358055,0.0,0.0,0.0,8.965765927132102,17.657683903860157,16.70196078431373,16.960000000000004,10.271566467065865,139.58135688622755,0.49809810706289454,0.980982439103342,0.9278867102396516,0.9422222222222225,0.5706425815036592,7.754519827012642,1.0248,26.54079999999999,11.058784869492165,17.230479752186845,22.11756973898433,3.6862616231640546,11.05882312774662,0.07612893545072408,0.012688155908454013,-1.5451961142421688,21.33947531369417,3.5565792189490284,1.8363351951505145,31,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696388888888889,0.0,8.236666666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696388888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.503611111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.186944444444444,0.0,1.2615740740740742,0.0,0.0,0.0,0.6481481481481479,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.236666666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696388888888889,0.0,8.236666666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696388888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24000000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.093472222222222,0.0,0.3310185185185186,0.0,0.0,0.0,0.6481481481481479,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.236666666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696388888888889,0.0,8.236666666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696388888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.093472222222222,0.0,0.9305555555555556,0.0,0.0,0.0,0.6481481481481479,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.236666666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.333333333333332,2.388888888888889,0.696388888888889,8.236666666666666,0.24000000000000002,0.3310185185185186,2.6923016666666664,1.1689814814814814,2.236666666666667,4.847222222222222,1.1689814814814814,2.236666666666667,4.847222222222222,2.83333,0.47222,0.0,0.02778,0.47593,0.82778,0.42,0.47593,0.75238,0.05593,0.0,-0.05593,0.0754,0.57047,0.14382,0.0,0.47059,0.17647,0.0,2.75,0.45833,2.75,0.45833,0.0,0.0,-2.75,-0.45833,0.0,0.0,4.94044,0.82341,5.69868,0.75825,0.12637,2.43179,0.4053,2.77005,0.33826,0.05638,0.14395,0.02399,0.14395,0.02399,0.0,5.01,1,1,1,1,1,1,1.0,1.134969974603941,1.944716790052853,2.9749375012019272,2.9749375012019272,2.743275001121799,1.9277361119123961,20.429459542870937,35.00490222095135,53.54887502163469,53.54887502163469,49.37895002019238,34.69925001442313,0.2721799490905406,0.46636733019903376,0.7134271000492677,0.7134271000492677,0.6578715444937121,0.46229515189017123,3.034955026838371,2.225208211389459,1.194987500240385,1.194987500240385,1.4266500003205134,2.242188889529916,0.27767101957476337,0.47577601695284677,0.7278200724368921,0.7278200724368921,0.6711437162038251,0.4716216848402489,10.258438165292631,16.942901801850105,17.981184023030984,17.981184023030984,15.20123402206944,9.28636404614456,21.93297422770153,15.257548577386931,15.291897228472243,15.291897228472244,13.901922227991472,10.417544448931638,6.0,3.2,5.333333333333333,6,0,4,1.8999999999999997,0.8718000000000002,0.4999999999999999,1.6329931618554518,2.0,0.0,1.0,1.4142135623730951,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.403,0.395,0.41000000000000003,0.19,2.891,5.0,3.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,21.0,1.791759469228055,1.791759469228055,1.3862943611198906,1.0986122886681098,0.0,0.0,0.0,0.0,0.0,0.0,3.091042453358316,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.4,5.0,1.0,0,2.0,4.0,1.0,1.5,0.44444444444444464,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3,0.08888888888888893,0.08333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.47222222222222227,11.058784869492165,17.230479752186845,22.11756973898433,3.6862616231640546,11.05882312774662,0.07612893545072408,0.012688155908454013,-1.5451961142421688,21.33947531369417,3.5565792189490284,1.8363351951505145,20.23,103.82660853069451,3.584962500721156,3.044522437723423,3.6109179126442243,4.290459441148391,4.875197323201151,5.564520407322694,6.154858094016418,6.846943139585379,7.438971592395862,8.131824785007195,60.95821513304474,2.3978952727983707,0.0,3.4339872044851463,0.0,4.61512051684126,0.0,5.860786223465865,0.0,7.1316985104669115,7.465655310134056,88.088815004,4.893823055777777,10.679177494338822,1.779862915723137,2.3716644057438945,2.3716644057438945,0.0,32.0,3.0,1.359,20.0,1.2164117647058823,2.109021302454123,2.85729610798977,3.4205927585351636,4.249390483539231,4.823337804084348,0.0,0.0,0.0,0.0,77.15821426811762,76.95587385825925,64.22495470486766,60.82442207695178,29.969159777526347,4.900819902569159,0.0,0.0,0.0,0.0,263.9099389200393,311.6444120770216,312.7481436073634,261.4279807827501,238.41025202575887,149.92739960620227,0.0,0.0,0.0,0.0,9.180431627764705,15.491522742388094,20.61183636401401,24.446519938559668,32.526115784394584,32.40542139657975,0.0,0.0,0.0,0.0,1.9414475241259999,2.5116942245497302,2.7598895351084543,2.432717427961685,2.301180114921091,2.1445182321419387,0.0,0.0,0.0,0.0,178.62008847264224,333.7215899409604,468.4416594083464,592.1892674448508,772.5042006668102,891.9203016510747,0.0,0.0,0.0,0.0,3.1990245098039214,4.551395188270282,5.628851457429951,7.167870339860686,11.590777216558138,4.823337804084348,0.0,0.0,0.0,0.0,0.4253500941176471,0.5584410242562778,0.6247750596495673,0.5912766594647791,0.635776371309301,0.4939097911382373,0.0,0.0,0.0,0.0,343.92611755113035,204.03544718484753,16.434909027947867,136.52658904769612,-80.99490625287359,-20.440137668451758,207.39952850343423,285.03035343772115,36.87504669639962,0.71583761071057,0.4246733224363231,0.03420713173684099,0.2841623892894303,-0.16858039332579638,-0.04254349572333472,165.24023404746669,98.02938284206188,7.896196525183039,65.59456923067128,-38.91422192991132,-9.82051946606027,0.35351441020187496,0.666992915336578,12.215562965893866,25.09266046956657,408.2774869946358,72.17521960419057,0.8497766406289471,0.150223359371053,346.0061754859044,18.601241235087095,7.020390718357315,470.59450444952427,21.693190278276827,7.778256914879796,533.4844304647354,23.097281884774567,8.110368424515427,1.3931264415011497,1.1754866620699451,319.20488187623715,273.797044021537,72.9737627922863,1.1658448797976373,4.374241777621186,3.7519929567134604,3.6372265393148653,3.220223780314462,5.518795452725596,0.7137925278555246,3.782243497388431,4.176856480764078,3.910829913522533,12.903523412781729,3.5463985318419304,3.4811826110520436,3.707351300171038,5.270687558627558,2.255741749132347,2.0363680888802893,1.755806113014114E-10,3.079898815832984E-42,1.042010955062354E-95,6.799610953253251E-171,8.557990273939951E-268,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.33732253874615403,4.303721666592512,0.3232664025300691,4.507786975918145,0.523527562527263,0.16809304108290457,0.32612167412358944,0.2351485143684856,0.18001386473290193,0.2165629279932994,1.962779860572274E-11,3.4429561015900836E-43,1.1648428049690155E-96,7.601146472602676E-172,9.566802870126483E-269,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9694691941962624,4.06749809111346,0.8059425000822422,5.440670746926327,0.7348220729938112,0.5043665397930617,0.7047010947287243,0.8669959375020783,0.2696775506096756,0.3816217460246633,3.400101232823226E-11,5.964193702829918E-43,2.0178439449095504E-96,1.3167379597215164E-171,1.6572463821967395E-268,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7930873977818513,4.303390768235255,4.1620708250908045,12.360720969000603,3.21780419966625,3.3357949763357024,3.7516781930102376,4.88841954412245,2.1814381632304887,2.519143271537496,2.205357653287711E-10,3.868467238549093E-42,1.3088044390113365E-95,8.540563758886221E-171,1.0749153456719845E-267,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3619183988900223,3.977741653151102,1.0696286105073738,6.271838233925794,1.000341037937026,0.7937289352263198,0.9704748780688618,1.4015732777262309,0.4018257014995691,0.38705190774865533,3.366735626288906E-11,5.905666344532934E-43,1.998042596825385E-96,1.3038166499533083E-171,1.640983621858961E-268,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.748236974680278,4.257095599099007,5.295221807422035,16.09625915277622,4.9260116562312435,4.846417588077572,5.0744546091787575,7.1068397814932736,3.266668990967086,2.973911168211415,2.5643703322746007E-10,4.498219416821048E-42,1.521866201092725E-95,9.930891839536155E-171,1.2499020364339755E-267,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.4841167601638725,4.512394242216258,4.595642425773753,9.722707044191022,1.6527740874199346,2.4998302919111195,3.537707716763666,2.753926161184505,1.8299834113868687,4.208175197593926,3.7925412031654497E-10,6.652581442199247E-42,2.2507436629346854E-95,1.4687159659027026E-170,1.84852589917103E-267,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.8000963991652092,1.2849453406653102,0.5529081539661875,0.6037358020858223,0.27705028516671437,0.5319156692511934,0.509643496465175,0.4102622055857273,4.637949893796707,5.856623708765564,12.48392100751368,0.40560370312873345,1.4518213713020958,3.1001664607425825,0.6722871461781352,0.1567134502531478,0.7890136549634112,0.17110169570180903,0.6521412547178015,0.14043163301741682,0.03242305719892507,3.9291670571738657,2.675396283230279,6.931185836654185,0.683520482445117,0.8249959449341433,2.6251635775722812,0.9606142263689272,0.32701650453095066,0.6709178583418398,0.24550593530791073,0.46744148427338295,0.28426196786207525,0.14277824745042975,3.9127943084721593,3.694378002631005,8.43183255141139,0.5063767875127597,0.894481699585888,2.913668465820894,1.2479843594060405,0.5337998213533974,0.6205298370845886,0.2657857406601554,0.5759268292936222,0.48207002698187545,0.3819491159146361,4.695452646580332,5.8577022084800685,12.494164530758654,0.4307947556268829,1.4399459721901335,2.5081592961585324,1.0845480834248566,0.4045565551599637,0.6274690230880565,0.2713226099478194,0.42700533365251403,0.3602139775296764,0.2190774314973646,3.9972639347433527,4.173672678755009,9.271419186077534,0.4412035346320847,1.006296742679555,2.8589857789495476,1.3174640989617685,0.5775559860462023,0.6013845714042846,0.27712715058896303,0.5545312637150449,0.5364685949658649,0.4477281239863554,4.754005863957518,6.178744750617887,13.108179415892554,0.4020768571064268,1.538727982667265,2.913848975974852,1.2535555446446356,0.5348587737916989,0.6196694641574131,0.2665855708536212,0.5759951263715495,0.48631594120109695,0.3834359064067427,4.702263294411186,5.881644411882891,12.537571127290649,0.4295041962361196,1.4457469739793891 +UMLCN0047,L,1-propanol,CCCO,Alcohols,,C3H8O,NREL (2014),Unknown,PubChem,,12,0,-0.6853999999999998,0.4697731599999997,16.087100000000003,11.416344000000002,0,0,12,4,8,0,3,0,1,0,0,0.0,0.0,0.0,0.0,0.0,696.8888760000002,581.5688389999999,494.8332939999999,309.2532690000003,68.61657600000001,3.0481920000000002,0.0,0.0,0.0,1735.6114376597877,2034.933250793578,2193.0585509359234,1528.1813947210292,609.447463694361,93.25123329279079,0.0,0.0,0.0,89.72097599999998,84.409508,141.285376,152.30358,89.27884799999998,20.155392,0.0,0.0,0.0,12.566807238792004,15.246718156,18.55628359624499,14.425496690188005,6.2747515067920006,1.3338387145469999,0.0,0.0,0.0,2045.1755702664923,1663.97415128145,3106.3199751475454,3661.458992375688,2188.016593995342,554.7529560727469,0.0,0.0,0.0,52.5,32.25,45.0,46.0,28.0,3.0,0.0,0.0,0.0,58.07407300000002,52.869894454545445,26.043857578947364,14.726346142857157,5.7180480000000005,1.016064,0.0,0.0,0.0,144.63428647164898,184.99393189032529,115.42413425978545,72.7705426057633,50.787288641196746,31.083744430930263,0.0,0.0,0.0,7.476747999999998,7.6735916363636365,7.436072421052632,7.252551428571429,7.4399039999999985,6.718464,0.0,0.0,0.0,1.0472339365660004,1.3860652869090908,0.9766465050655259,0.6869284138184765,0.5228959588993334,0.44461290484899996,0.0,0.0,0.0,170.4312975222077,151.27037738922274,163.49052500776554,174.355190113128,182.33471616627853,184.91765202424895,0.0,0.0,0.0,4.375,2.9318181818181817,2.3684210526315788,2.1904761904761907,2.3333333333333335,1.0,0.0,0.0,0.0,0.21702639132742285,-0.10088591688440501,-0.02656736772252923,0.025323518457289244,-0.020907211071053908,0.014523781556987494,0.0,0.0,0.0,395.9281079999999,-64.99400900000015,-162.03601800000013,12.969973000000053,-31.903999999999954,48.00000000000004,0.0,0.0,0.0,514.4985022818588,-83.59670822018201,-254.76024774805325,-32.94320824303179,52.96816352529697,61.08274954504071,0.0,0.0,0.0,1.0054439999999996,-0.11604499999999922,-0.16516099999999967,-0.039271000000000625,-0.23063199999999967,0.04838699999999949,0.0,0.0,0.0,2.2133918582640004,-0.32180964304400067,-1.077135660371,-0.36874289199999977,0.45495178400000047,0.20604048228300018,0.0,0.0,0.0,12.323827932155654,-1.7065347556196881,-5.80672995069113,-2.4166464967604178,2.7486735950833268,1.019323641910081,0.0,0.0,0.0,22.416666666666675,-3.5069444444444446,-3.95138888888889,0.4791666666666661,-5.250000000000002,1.020833333333333,0.0,0.0,0.0,0.01808553261061857,-0.009171446989491365,-0.0013982825117120647,0.0012058818312994878,-0.0017422675892544922,0.0048412605189958316,0.0,0.0,0.0,32.99400899999999,-5.908546272727286,-8.528211473684218,0.6176177619047645,-2.658666666666663,16.000000000000014,0.0,0.0,0.0,42.8748751901549,-7.5997007472892735,-13.408434092002802,-1.568724202049133,4.414013627108081,20.36091651501357,0.0,0.0,0.0,0.08378699999999996,-0.010549545454545383,-0.008692684210526299,-0.0018700476190476488,-0.019219333333333307,0.01612899999999983,0.0,0.0,0.0,0.18444932152200003,-0.029255422094909153,-0.05669135054584211,-0.01755918533333332,0.03791264866666671,0.06868016076100006,0.0,0.0,0.0,1.026985661012971,-0.15513952323815347,-0.305617365825849,-0.11507840460763893,0.22905613292361057,0.3397745473033604,0.0,0.0,0.0,1.8680555555555562,-0.3188131313131313,-0.20796783625731,0.02281746031746029,-0.43750000000000017,0.3402777777777777,0.0,0.0,0.0,-0.5071151172018306,-0.07731497555626811,0.06667660042212291,-0.09633487864391417,0.26768691988387333,0.0,0.0,0.0,-0.17907936779453773,-0.258477576146755,0.01871908812005127,-0.08058028555022409,0.48493652286995553,0.0,0.0,0.0,-0.17725301155009185,-0.31273406703891,-0.03658842609084375,0.10295105484345862,0.4748915635255056,0.0,0.0,0.0,-0.1259090963341018,-0.10374740962829918,-0.02231906643092186,-0.2293832376542103,0.19250002983756237,0.0,0.0,0.0,-0.15860954029814492,-0.30735461685653476,-0.09519788518841998,0.20554506979926576,0.3723524716397956,0.0,0.0,0.0,-0.15106298863523668,-0.2975867895997712,-0.11205453880839089,0.22303732332317106,0.3308464374938035,0.0,0.0,0.0,-0.17066576546130444,-0.11132850714145959,0.012214551248008477,-0.2342007434944238,0.18215613382899618,0.0,0.0,0.0,1.3735888031756625,0.8287335355387255,0.7355152996005465,1.420866704760857,0.8827880803633915,0.0,0.0,0.0,1.3741084126313157,1.2253864955120644,0.7883444166417541,0.9206026080707899,0.0,0.0,0.0,0.0,1.6460571034403566,1.3799227230123263,0.7900982984320547,0.4235646548207274,0.0,0.0,0.0,0.0,1.0534251534645391,0.9550750974850808,0.8394047566950287,1.5531997140898286,0.0,0.0,0.0,0.0,1.7657684285788298,1.4195469109676844,0.8080019493962259,0.21975958666050938,0.0,0.0,0.0,0.0,1.7781714641493584,1.4147127111504663,0.8152490347233042,0.20336188777573425,0.0,0.0,0.0,0.0,1.1040892193308547,0.962042653101154,0.8061603823685605,1.5539033457249067,0.0,0.0,0.0,0.0,9.436347218908296,4.843173609454146,7.973149273207987,9.561347218908292,2.390336804727073,4.859074871179814,0.24999999999999645,0.04730581942441359,0.011826454856103397,-1.220448783529391,8.113795335028058,2.0284488337570146,0.8374262963128549,9.438954436835004,4.844110007966849,7.974815566706891,9.563587226384353,2.3908968065960883,4.859992726644554,0.24926557909869462,0.04716497669693842,0.011791244174234605,-1.2216414723822977,8.113993232378034,2.0284983080945085,0.8374360522866484,11.744635693352805,5.672820607647389,9.680698805011394,11.54513845432379,2.8862846135809477,5.678948819186653,-0.398994478058027,0.06466983416538064,0.01616745854134516,-1.0953841711390477,10.677326940007823,2.669331735001956,0.9472490062756121,9.441690740591378,4.845092770405158,7.976565014942601,9.565938140700847,2.391484535175212,4.860956055950965,0.24849480021893733,0.04701715701556475,0.011754289253891187,-1.2228970803998662,8.114205504573091,2.0285513761432727,0.8374465166492562,14.182131058605949,6.549918397133397,11.842394159783813,13.640983926436371,3.410245981609093,6.552360015803908,-1.0822942643391542,0.13166313894194692,0.03291578473548673,-0.811003438381613,15.676526033621936,3.919131508405484,1.1008657745589443,9.70929182112853,4.941213003503414,8.150918698621812,9.79585891406768,2.44896472851692,4.95530632912891,0.17313418587829776,0.03256699458179879,0.008141748645449698,-1.3697823758441097,8.158234171205763,2.0395585428014407,0.8396110979882003,8.628179483992763,4.647423075329716,7.730225728201544,8.961512817326097,2.2403782043315243,4.67039339192127,0.6666666666666679,0.09977492272451127,0.024943730681127818,-0.9219353610180585,7.014155171575984,1.753538792893996,0.7791721098380112,0,11.996548782954642,15.997941705683129,-0.42173498273032717,0.06940086021262024,3.6295881582053475,5.362254857609961,3.0,11.0,11.0,11.0,3.0,0.0,0.0,0.0,0.0,0.0,8.745655999999999,3.2950740725730285,2.558186649324628,1.6930649666912756,1.1651871186706682,0.08392307051869134,0.08392307051869125,0.08392307051869119,0.08392307051869112,1.756765994157926,1.21041706293166,0.6893543777833278,0.3872541168709089,0.08392307051869112,0.08392307051869119,0.08392307051869125,0.08392307051869134,3.2867047952088235,2.4939449579354416,1.641898074151174,1.165693777541594,0.2709139018929378,0.2709139018929375,0.2709139018929371,0.27091390189293696,1.706059039450919,1.1636979235580813,0.600720608701371,0.3193093211380519,0.27091390189293696,0.2709139018929371,0.2709139018929375,0.2709139018929378,3.4718852608400517,2.8246232712747434,2.110612408444235,1.7297462194943969,0.9439184268026231,0.9439184268026223,0.9439184268026222,0.9439184268026213,1.4674741977446062,0.7783258473629016,0.08336101522184805,0.29863038971510997,0.9439184268026213,0.9439184268026222,0.9439184268026223,0.9439184268026231,3.3027412292453593,2.506561967550125,1.6739961802302536,1.1937706159870736,0.399277245508982,0.399277245508982,0.399277245508982,0.3992772455089815,1.6753436170127138,1.1342769720882786,0.5442567703299643,0.24584413058783938,0.3992772455089815,0.399277245508982,0.399277245508982,0.399277245508982,3.5344105581323806,2.9095214090785175,2.246249391312078,1.9057309693901692,1.207644822962089,1.2076448229620877,1.2076448229620875,1.2076448229620869,1.4036512740193967,0.6843484861436046,0.06439650296739698,0.46765629432602257,1.2076448229620869,1.2076448229620875,1.2076448229620877,1.207644822962089,4.2839192749552115,3.2020290335056325,2.259907778840621,1.5827714201553325,0.6000000000000005,0.6000000000000005,0.6,0.5999999999999999,1.5450073079030253,0.8306861294487142,0.26326186495596127,0.3103277948509063,0.5999999999999999,0.6,0.6000000000000005,0.6000000000000005,0,0,0,0,0,2,1,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.414213562373095,1.914213562373095,1.0,0.5,0.0,0.0,0.0,0.0,0.8535533905932737,0.6380711874576983,0.5,0.5,0.0,0.0,0.0,0.0,2.861427157873053,1.5233345472033855,0.7236067977499789,0.22360679774997896,0.0,0.0,0.0,0.0,0.7153567894682632,0.5077781824011285,0.36180339887498947,0.22360679774997896,0.0,0.0,0.0,0.0,5.882110319560352,11.88201019664967,11.250980392156867,11.440000000000003,6.674457485029938,93.52484670658684,0.4901758599633627,0.9901675163874725,0.9375816993464056,0.9533333333333336,0.5562047904191615,7.793737225548903,0.38869999999999993,17.376800000000003,5.162277660168381,8.576491222541476,10.32455532033676,2.58113883008419,5.173116539955508,0.0,0.0,0.0,8.452346590056031,2.1130866475140078,0.8537776423127849,14,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7763888888888888,0.0,7.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7763888888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.023611111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9305555555555556,0.0,1.1944444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7763888888888888,0.0,7.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7763888888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9305555555555556,0.0,0.3194444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7763888888888888,0.0,7.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7763888888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9305555555555556,0.0,0.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.0,2.75,0.7763888888888888,7.875,0.2625,0.3194444444444444,1.4097222222222223,1.1805555555555556,1.875,3.75,1.1805555555555556,1.875,3.75,1.83333,0.45833,0.0,0.04167,0.49722,0.89167,0.41429,0.49722,0.77333,0.08294,0.0,-0.08294,0.11833,0.51402,0.20027,0.0,0.45454,0.0,0.0,1.75,0.4375,1.75,0.4375,0.0,0.0,-1.75,-0.4375,0.0,0.0,2.35011,0.58753,2.95465,0.60455,0.15114,1.57596,0.39399,1.91421,0.33826,0.08456,-2.1E-4,-5.0E-5,-2.1E-4,-5.0E-5,0.0,3.01,1,1,1,1,1,1,1.0,1.188721875540867,1.9473387961875537,2.8553885422075336,2.8553885422075336,2.257894792087341,0.7987468750600963,14.264662506490405,23.368065554250645,34.2646625064904,34.2646625064904,27.09473750504809,9.584962500721156,0.3315855815233052,0.5431964199892814,0.7964904909418549,0.7964904909418549,0.6298238242751882,0.22280480615889822,2.3962406251802895,1.6376237045336028,0.7295739585136229,0.7295739585136229,1.3270677086338156,2.78621562566106,0.3436176824934946,0.5629071509020399,0.8253923930233076,0.8253923930233076,0.6526779659187906,0.2308896267112024,11.17145732691678,16.29155673065471,17.206711994994894,17.20671199499489,10.03678699355258,0.8049970949173415,14.509775004326936,11.241396572832105,11.289473960436705,11.289473960436705,7.704511459715549,1.7987468750600963,4.0,3.0,4.0,4,0,3,1.68,0.5900000000000003,0.0,1.4142135623730951,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.385,0.375,0.449,0.20500000000000002,2.121,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3978952727983707,1.0,0.3333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.3333333333333333,3.0,1.0,0,2.0,3.0,0.5,0.5,0.22222222222222232,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.16666666666666666,0.11111111111111116,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2777777777777778,5.162277660168381,8.576491222541476,10.32455532033676,2.58113883008419,5.173116539955508,0.0,0.0,0.0,8.452346590056031,2.1130866475140078,0.8537776423127849,20.23,69.23463927896123,3.0,2.3978952727983707,2.833213344056216,3.295836866004329,3.7612001156935624,4.23410650459726,4.709530201312334,5.187385805840755,5.666426688112432,6.1463292576688975,45.231924056084154,1.9459101490553132,0.0,2.70805020110221,0.0,3.6109179126442243,0.0,4.553876891600541,0.0,5.5093883366279774,5.993961427306569,60.057514876,5.004792906333333,6.871320343559642,1.7178300858899105,2.310660171779821,2.310660171779821,0.0,10.0,1.0,0.282,10.0,1.1982727272727272,2.0779314942735714,2.7708006887163323,3.2928508676432036,4.213152135437981,0.0,0.0,0.0,0.0,0.0,74.39639765599999,60.36207914596627,49.0520367330024,22.503055709395216,4.280832211341657,0.0,0.0,0.0,0.0,0.0,244.1480966209691,254.9751241070798,212.89780083211403,181.3061656209059,130.9605442265823,0.0,0.0,0.0,0.0,0.0,9.219202570181817,15.522777642439836,20.201845356603524,25.108731454793084,28.305910948463207,0.0,0.0,0.0,0.0,0.0,1.7774653856383638,2.1154170011124878,1.9414397943746147,1.7657173138577544,1.8732218095078483,0.0,0.0,0.0,0.0,0.0,178.9658466333588,336.92882681061093,481.71146325544544,599.2994685275219,779.0862005061422,0.0,0.0,0.0,0.0,0.0,3.6019772727272725,5.087890485835003,6.483367855723342,8.801775674150784,4.213152135437981,0.0,0.0,0.0,0.0,0.0,0.4044633272727273,0.4970867810981186,0.4846934255007411,0.4864191569308151,0.4314267786688493,0.0,0.0,0.0,0.0,0.0,284.4451330185462,139.82364028853218,12.936523602845085,171.86337047742978,-84.48224034420042,-22.105736089846314,112.5817625411164,224.3058806327326,35.0422596926914,0.6233614557679498,0.3064234815202501,0.028350389054187696,0.37663854423205023,-0.18514281390100248,-0.04844471650316562,129.79473297440663,63.802716053419765,5.9030457256546125,78.42271738833048,-38.54996466344946,-10.087035353834759,0.4266430798233833,0.8050096820743224,8.711475957476225,32.07314073158446,396.0479212926803,60.26058220329564,0.8679389453810012,0.1320610546189987,221.84303719360452,14.894396167471998,6.05362155678465,307.6832218300738,17.540901397307774,6.750997360298845,293.61019663046744,17.135057532161,6.646459733029637,1.6772877083832542,1.5154439135271511,136.0812843089411,125.54189155284614,20.56870742618868,1.083951202469006,6.615937573971149,6.103538202551441,2.717285247849042,2.359935319269704,4.33852666518336,0.8384091418767962,2.6666412836441893,2.2798356860594615,3.004521289828045,5.398862560092264,1.9485157185665538,0.040413220529637243,0.4577404479838221,0.15971680520056705,1.9891383375994953E-19,5.173953709725901E-59,2.596057919186568E-120,2.5123619987725756E-203,4.689493724320204E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24369777548886837,2.4067713592196824,0.27885595756697035,1.290270579197068,0.015619094786114118,0.02334941863682562,0.005252559776915852,0.016570296155355258,2.223336215715301E-20,5.783856193702629E-60,2.9020802255006092E-121,2.808518263199169E-204,5.242289437729435E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6672370455084854,2.1705429161455094,0.6417252434431069,1.551658909400021,0.14787991111551096,0.015062922644957894,0.035880018653013435,0.02945473969729236,3.8516241983284126E-20,1.001930900538914E-59,5.027240573873669E-121,4.865164249965991E-204,9.08115837970687E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.740049911246716,2.4063776567068365,3.3283821496049533,5.190543721013914,1.7373978628713749,0.04386411382369666,0.41418605968863,0.19613484253165983,2.4983336612169825E-19,6.49867750331694E-59,3.260745111847731E-120,3.155619929350575E-203,5.8901781917818805E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9164838199009121,2.0807803099361664,0.8065030647221954,1.8614121371323014,0.316550466281109,0.013300875619889591,0.07373852112998022,0.030229186410495407,3.814060447410166E-20,9.92098928946724E-60,4.977907651402589E-121,4.817421801378372E-204,8.99204386788467E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.400985736767547,2.3600425329489028,4.097490159849863,7.271374028395796,2.8355446172029257,0.05324783327160118,0.6673986903080333,0.23324202491302132,2.9051535425776E-19,7.556605078013118E-59,3.7915655148277276E-120,3.669326884008569E-203,6.849046993802764E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.7478192990923542,3.0327475020719814,4.224055298480808,4.060335625074731,0.7075205729300602,0.08429175206622269,0.19639955076871513,0.3229211982377349,4.2960559513338785E-19,1.117573797516281E-58,5.6074851037841673E-120,5.426701917346158E-203,1.0129306444531632E-307,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.000479427854387,0.7296554695972557,0.41464351250000003,0.6361273091687082,0.23202126651857663,0.5494279026458214,0.5766215665876634,0.4999827832584407,3.1447784099516425,2.5916934798289186,6.341710752852239,0.4541909637530622,1.6260322524919255,2.194508397813603,0.25899200987788107,0.08345859836261985,0.8650153165962517,0.10208758173065952,0.6714090153416837,0.07126142720141057,0.020255710140480686,2.536959006054104,0.7731258457516812,3.357519392509084,0.7975229748943777,0.762926152683575,1.8628868011153759,0.4793903506450064,0.22916814360128623,0.7244512665603352,0.18642836832256282,0.4832804497200787,0.24454724086485832,0.15272628702301552,2.571445295361668,1.4298252634672892,4.205929159571713,0.5866768998405028,0.8805539776079525,2.080510248025612,0.6985762046637864,0.39527619874954034,0.6554103851626771,0.22006817788985825,0.5945483600725536,0.5283035849126374,0.45436684028789504,3.1743626514389387,2.551901681845255,6.300756765520542,0.48311557774401576,1.5772187852730861,1.7774716577298573,0.579413715197165,0.2976560475403371,0.6695965050780467,0.2182726216775903,0.4387684397043711,0.3586272346951848,0.2576527139715938,2.654541420467359,1.731432641474011,4.692527482386747,0.50439475761707,1.0550483883711497,2.044064560701861,0.752754687734008,0.43321334840010206,0.6328309388283438,0.23304863501110815,0.5728138253466014,0.6145062406983994,0.5457691207320359,3.230032596835971,2.7502986115840415,6.646907568144346,0.4492464082425157,1.7330891867770366,2.082595002947392,0.6995501535905997,0.3963887666666667,0.6552061589601285,0.22008579127741382,0.5956149042410837,0.5298871559095488,0.4569282158301892,3.1785339232046583,2.5596907414665986,6.315715393972977,0.48280923844019263,1.5824302759808218 +UMLCN0048,L,1-butanol,CCCCO,Alcohols,,C4H10O,NREL (2014),IQT,PubChem,,12,0,-0.9733999999999994,0.9475075599999988,18.998700000000003,14.509930000000002,0,0,15,5,10,0,4,0,1,0,0,0.0,0.0,0.0,0.0,0.0,843.1851250000002,750.0471359999999,688.5418309999998,506.0099980000002,309.2532690000003,68.61657600000001,3.0481920000000002,0.0,0.0,2221.295828270979,2687.923385283945,3106.6056625982587,2534.9797396761583,1528.1813947210292,609.447463694361,93.25123329279079,0.0,0.0,110.69841999999997,106.18528800000001,184.01488400000008,215.18848000000014,152.30358,89.27884799999998,20.155392,0.0,0.0,16.244933048490005,20.262706776,26.243973741093995,23.447025549583977,14.425496690188005,6.2747515067920006,1.3338387145469999,0.0,0.0,2541.80523040499,2097.0136027972503,4030.5221741133946,5140.414147414284,3661.458992375688,2188.016593995342,554.7529560727469,0.0,0.0,56.75,37.5,54.25,56.0,46.0,28.0,3.0,0.0,0.0,56.21234166666668,53.57479542857142,27.54167323999999,16.86699993333334,14.726346142857157,5.7180480000000005,1.016064,0.0,0.0,148.0863885513986,191.9945275202818,124.26422650393035,84.49932465587194,72.7705426057633,50.787288641196746,31.083744430930263,0.0,0.0,7.379894666666664,7.58466342857143,7.360595360000003,7.172949333333338,7.252551428571429,7.4399039999999985,6.718464,0.0,0.0,1.0829955365660002,1.4473361982857145,1.0497589496437598,0.7815675183194659,0.6869284138184765,0.5228959588993334,0.44461290484899996,0.0,0.0,169.45368202699936,149.7866859140893,161.2208869645358,171.34713824714282,174.355190113128,182.33471616627853,184.91765202424895,0.0,0.0,3.783333333333333,2.6785714285714284,2.17,1.8666666666666667,2.1904761904761907,2.3333333333333335,1.0,0.0,0.0,0.2214638721731576,-0.10061377718495976,-0.030158905216058664,0.016432609271616903,0.011322931887049466,-0.02219086850113479,0.014476073656907985,0.0,0.0,476.9038497333333,-65.66428988444409,-205.34036955555536,10.641047466666492,10.004881706666481,-34.511248053333475,46.41805345333324,0.0,0.0,665.157589150708,-80.97945498155487,-321.9485114697434,-25.780422018391224,-27.158369000873055,59.52809794510161,63.75986495010726,0.0,0.0,1.034995733333333,-0.10335015111110998,-0.15989528888888846,-0.01767573333333452,-0.05065429333333368,-0.22346485333333282,0.03754245333333281,0.0,0.0,2.8968984481633338,-0.28801826802177827,-1.3229079360762224,-0.282437246933333,-0.312574206933333,0.528072509066667,0.22941592481633344,0.0,0.0,16.061086142163315,-1.47748183840508,-7.038127153542863,-1.840667446366678,-2.06302684886668,3.227370406883313,1.1613898092163266,0.0,0.0,23.0,-3.0,-3.5,-1.0,0.25,-5.0,0.75,0.0,0.0,0.014764258144877173,-0.007186698370354268,-0.0012063562086423465,5.477536423872301E-4,5.391872327166413E-4,-0.0018492390417612324,0.004825357885635995,0.0,0.0,31.79358998222222,-4.690306420317435,-8.213614782222214,0.3547015822222164,0.47642293841268957,-2.8759373377777897,15.472684484444414,0.0,0.0,44.343839276713865,-5.784246784396776,-12.877940458789736,-0.8593474006130408,-1.2932556667082407,4.960674828758467,21.25328831670242,0.0,0.0,0.06899971555555554,-0.00738215365079357,-0.006395811555555539,-5.891911111111506E-4,-0.002412109206349223,-0.01862207111111107,0.012514151111110936,0.0,0.0,0.19312656321088892,-0.02057273343012702,-0.052916317443048894,-0.009414574897777767,-0.014884486044444428,0.04400604242222225,0.07647197493877782,0.0,0.0,1.070739076144221,-0.10553441702893429,-0.2815250861417145,-0.06135558154555593,-0.09823937375555618,0.26894753390694276,0.3871299364054422,0.0,0.0,1.5333333333333334,-0.21428571428571427,-0.14,-0.03333333333333333,0.011904761904761904,-0.4166666666666667,0.25,0.0,0.0,-0.4867632562254997,-0.08170787836440815,0.03709997732444734,0.03651976465229482,-0.1252510639962545,0.3268269789302128,0.0,0.0,-0.14752364935636642,-0.2583418477377031,0.01115638663078162,0.014984873953494631,-0.0904565146429172,0.4866605027332918,0.0,0.0,-0.13044082061325346,-0.2904110394778624,-0.01937918354905068,-0.029164269215348787,0.11186841080229717,0.4792839019661315,0.0,0.0,-0.1069881751157334,-0.09269330321232865,-0.008539036811488881,-0.03495824855114219,-0.2698862011411829,0.18136525651377639,0.0,0.0,-0.10652461830256958,-0.27399813139772866,-0.04874821330247207,-0.07707114856173863,0.2278611584578806,0.3959681861851004,0.0,0.0,-0.09856221686516609,-0.26292594751981857,-0.05730208499207866,-0.09174912538853118,0.2511793394852411,0.361553944402136,0.0,0.0,-0.13975155279503104,-0.09130434782608696,-0.021739130434782608,0.007763975155279502,-0.2717391304347826,0.16304347826086957,0.0,0.0,1.3753568342195248,0.821897726599326,0.6826097678545902,0.9555917941336559,1.7788367425549554,1.1019331776131867,0.0,0.0,1.3946504172107372,1.268349503360534,0.820023489609781,0.8329843710749296,0.9727316745141152,0.0,0.0,0.0,1.6116802173128446,1.411508446349903,0.8603635982776072,0.7778145113289933,0.4169794260529592,0.0,0.0,0.0,1.046261317921053,0.9231045590139633,0.7478673019972515,1.0378297211660004,1.920357030779386,0.0,0.0,0.0,1.6965599023193287,1.4382206741299657,0.8742637727772605,0.7857290244469753,0.2137018181313302,0.0,0.0,0.0,1.7047907970940608,1.4312250514095872,0.874997207493608,0.7961526744941335,0.19859834718820366,0.0,0.0,0.0,1.0869565217391304,0.9191304347826087,0.7557971014492754,1.0,1.9275362318840579,0.0,0.0,0.0,15.581050622539582,7.915525311269792,12.906134378757317,15.73105062253958,3.1462101245079164,7.916384149127801,0.25000000000000266,0.04227428704504366,0.008454857409008731,-1.5817881245170586,20.352010162220314,4.070402032444063,1.5065898432402596,15.583967596253244,7.91661658767597,12.90787341735553,15.733526943712462,3.1467053887424923,7.917474309529072,0.2492655790986973,0.04215282161431422,0.008430564322862844,-1.583226827280471,20.376127143194328,4.075225428638865,1.5071819887541074,18.173359557393248,8.887182539667608,14.625233475327024,17.933962870558428,3.5867925741116857,8.887473148864263,-0.39899447805803057,0.06786336840390128,0.013572673680780255,-1.3451294416557587,18.458090315991846,3.6916180631983693,1.4577513869427372,15.587029025660367,7.917761912939652,12.909699019069249,15.73612590579173,3.147225181158346,7.918618465316797,0.24849480021893733,0.04202532104775902,0.008405064209551805,-1.5847414801348327,20.401555598876357,4.0803111197752715,1.507805576394899,20.924917220569014,9.921311478114932,16.8153743948632,20.275540661965522,4.055108132393104,9.921410763093583,-1.0822942643391489,0.16579485312375997,0.033158970624751996,-0.8985020397210747,16.895911104864933,3.3791822209729867,1.4135358230987827,15.886587530182737,8.029860858030522,13.090547600854652,15.990468041709722,3.1980936083419444,8.030611344622336,0.17313418587830842,0.02945738838235945,0.00589147767647189,-1.7624052607458367,23.67108216586164,4.734216433172328,1.5821270706798176,15.079835400596577,7.873251033631617,13.059660804799227,15.47983540059657,3.095967080119314,7.8743068297728644,0.6666666666666572,0.07956852999357628,0.015913705998715257,-1.2655683080717184,15.27104498197361,3.054208996394722,1.3629792752740548,0,11.996461491259486,15.997941969829798,-0.42171413309312816,0.06964773917916663,3.7877194582288025,5.991011473097236,4.0,14.0,14.0,14.0,4.0,0.0,0.0,0.0,0.0,0.0,10.932069999999998,3.373406742753027,2.8253308187935042,2.096684624719351,1.4613306041173724,1.1286405552347523,0.08392307051869134,0.08392307051869125,0.0839230705186911,1.8173794490454385,1.4052229504873075,0.9245621354355043,0.5999154971346832,0.3866689874805979,0.08392307051869073,0.08392307051869093,0.0839230705186911,3.379324768686745,2.790711346088379,2.0516430818579456,1.4574963662865852,1.1564670327246394,0.27091390189293757,0.27091390189293746,0.27091390189293707,1.7631254718018274,1.3537713240975293,0.8513633693148052,0.48418886350160145,0.3138249530469919,0.2709139018929367,0.2709139018929369,0.27091390189293707,3.5409329690524776,3.055207466118711,2.435249073329745,1.9418635789733318,1.7129503389586793,0.9439184268026227,0.9439184268026221,0.9439184268026221,1.5476450757758893,1.0309239216635506,0.4079803205985431,0.049432259319278346,0.3011685485275589,0.9439184268026217,0.943918426802622,0.9439184268026221,3.3973906489663834,2.8064658960091347,2.075989672213422,1.5078239454892564,1.1898550041322549,0.3992772455089824,0.399277245508982,0.3992772455089819,1.7297706488385058,1.3221204414046943,0.8041937400069646,0.4103760002486232,0.23443858780867452,0.3992772455089815,0.39927724550898175,0.3992772455089819,3.602427822382309,3.132201331938567,2.5474871021579197,2.1013340387568653,1.896289791318723,1.2076448229620889,1.207644822962088,1.207644822962088,1.4868257568297074,0.9489083662481106,0.2876286360343864,0.21803600190960404,0.4731968586538608,1.2076448229620873,1.207644822962088,1.207644822962088,4.359181399073137,3.3530721272310275,2.6562081054213222,1.9313928274934347,1.528813409306283,0.6153846153846156,0.6153846153846153,0.6153846153846149,1.634231200468978,1.074113220498082,0.5173674723113841,0.16502001251254814,0.33129480649656456,0.6153846153846148,0.6153846153846149,0.6153846153846149,0,0,0,0,0,2,2,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.121320343559642,2.414213562373095,1.3535533905932737,0.7071067811865475,0.35355339059327373,0.0,0.0,0.0,0.8242640687119284,0.6035533905932737,0.45118446353109126,0.35355339059327373,0.35355339059327373,0.0,0.0,0.0,3.5685339390596003,2.0233345472033855,1.0771601883432527,0.5116672736016927,0.15811388300841897,0.0,0.0,0.0,0.7137067878119201,0.5058336368008464,0.35905339611441756,0.25583363680084636,0.15811388300841897,0.0,0.0,0.0,7.423938123346227,14.769847050254914,13.9764705882353,14.200000000000006,8.473011976047902,116.5531017964072,0.4949292082230818,0.9846564700169942,0.9317647058823533,0.9466666666666671,0.5648674650698601,7.770206786427147,0.7787999999999998,21.993799999999997,8.288215751900175,13.524283729399965,16.576431503800354,3.3152863007600706,8.288774052044314,2.220446049250313E-16,4.4408920985006264E-17,-18.021826694558577,2000004.2294850536,400000.8458970107,7.254329926632255,24,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.736388888888889,0.0,8.06625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.736388888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2636111111111112,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0518055555555557,0.0,2.3819444444444446,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.06625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.736388888888889,0.0,8.06625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.736388888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24000000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0518055555555557,0.0,0.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.06625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.736388888888889,0.0,8.06625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.736388888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0518055555555557,0.0,1.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.06625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.5,2.5,0.736388888888889,8.06625,0.24000000000000002,0.34375,2.0344772222222223,1.15625,2.06625,4.236111111111111,1.15625,2.06625,4.236111111111111,2.33333,0.46667,0.0,0.03333,0.48444,0.85333,0.41765,0.48444,0.76111,0.0668,0.0,-0.0668,0.09222,0.54687,0.16742,0.0,0.35714,0.0,0.0,2.25,0.45,2.25,0.45,0.0,0.0,-2.25,-0.45,0.0,0.0,3.42343,0.68469,4.09272,0.66929,0.13386,2.07596,0.41519,2.41421,0.33826,0.06765,-2.1E-4,-4.0E-5,-2.1E-4,-4.0E-5,0.0,4.01,1,1,1,1,1,1,1.0,1.1589385323502772,1.8716022614097982,2.923231428797621,3.056564762130954,2.6057885242721635,2.0209345635947815,17.38407798525416,28.074033921146974,43.84847143196431,45.84847143196431,39.08682786408245,30.314018453921722,0.29663961761636337,0.4790516180600359,0.7482245425770138,0.7823522792183225,0.6669724837447869,0.5172744191676067,2.7479520632582415,2.0352883341987207,0.9836591668108978,0.8503258334775645,1.3011020713363552,1.8859560320137372,0.30439466665848786,0.49157546373384353,0.7677853755798062,0.8028053135847653,0.6844091443053385,0.5307975234687631,10.661101907048607,15.776212239793256,18.30169376813469,16.970447110001356,15.118751862205642,8.803291399535624,18.187524801026772,14.10028599532307,12.797503628082518,13.83934112024479,11.224348890955138,6.850389103532146,5.0,4.0,4.0,5,0,4,1.7899999999999998,0.7309000000000004,0.0,1.6509636244473134,0.0,0.0,2.381101577952299,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.385,0.375,0.449,0.20500000000000002,2.6199999999999997,3.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,0.0,0.0,0.0,0.0,0.0,2.772588722239781,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.5,4.0,1.0,0,2.0,4.0,1.0,0.5,0.22222222222222232,0.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.125,0.07407407407407411,0.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2615740740740741,8.288215751900175,13.524283729399965,16.576431503800354,3.3152863007600706,8.288774052044314,2.220446049250313E-16,4.4408920985006264E-17,-18.021826694558577,2000004.2294850536,400000.8458970107,7.254329926632255,20.23,86.53062390482788,3.321928094887362,2.70805020110221,3.2188758248682006,3.7612001156935624,4.290459441148391,4.844187086458591,5.37989735354046,5.937536205082426,6.47543271670409,7.034387929915503,52.65002687451343,2.1972245773362196,0.0,3.044522437723423,0.0,4.04305126783455,0.0,5.10594547390058,0.0,6.192362489474872,6.60934924316738,74.07316494,4.938210996,8.849873734152917,1.7699747468305833,2.362436867076458,2.362436867076458,0.0,20.0,2.0,0.851,14.0,1.2092857142857143,2.0978526994891236,2.802889812526933,3.435509375457038,4.700723838074659,4.960986365806338,0.0,0.0,0.0,0.0,76.0732148847857,64.49502832382838,57.5441970528313,66.53786126340007,28.811329370179227,5.040679650786651,0.0,0.0,0.0,0.0,256.14635801683306,277.9225410349796,256.3916296098016,288.2198230567933,244.9540463956331,154.2060323200537,0.0,0.0,0.0,0.0,9.195663069428571,15.501740373535602,20.191579468660652,25.37015006225365,35.335310778945754,33.33020830316072,0.0,0.0,0.0,0.0,1.8770259697201428,2.3032630747656193,2.2853792786036786,2.5625176523204716,2.4656649442362024,2.205718559017439,0.0,0.0,0.0,0.0,178.75592203578088,335.17142486744365,477.866048768228,590.3531373183885,857.3437605754949,917.3739504892201,0.0,0.0,0.0,0.0,3.3133928571428575,4.682994382790996,5.467251177233807,8.673297838442924,11.624817345095934,4.960986365806338,0.0,0.0,0.0,0.0,0.4171445785714286,0.5243349443289222,0.5364618006291353,0.6413558300040739,0.6682898688735587,0.5080050038585691,0.0,0.0,0.0,0.0,323.6297927627665,176.35547402310814,16.300067111301377,167.5664080380971,-91.31190632245163,-22.586626324701825,156.0633847246694,267.66738034555976,38.8866934360032,0.6588605372661863,0.35903265077289276,0.0331844323810428,0.3411394627338138,-0.18589701258595545,-0.04598290110525243,158.9657246710417,86.62513883058611,8.006531037870344,82.30798301016058,-44.852061473472595,-11.094465039602309,0.38486351745718805,0.7261595186738343,13.298820062494695,27.31854241604889,419.02098119667295,72.17521960419057,0.8530623415113684,0.14693765848863155,283.92460633975446,16.850062502547416,6.572556741551606,389.138863139799,19.726602929541595,7.300762184381672,396.9481566963199,19.923557832282867,7.349276660401952,1.9025416471185066,1.9025416471185066,257.2527101813914,241.61231447470746,28.998943462286036,1.0647334377003421,8.871106304819554,8.331762665385767,3.213164655220909,3.2201944036352645,5.518792455631,0.713807231451883,3.2244423905163098,3.228352993769428,3.300854476116355,9.519065378204276,3.3965913574209985,0.0937616671818772,2.8393930961371954,4.428327211916586,0.9571532608377605,2.0363286891921892,1.7558060426402366E-10,3.0798982897924044E-42,1.0420105472803198E-95,6.799606181893065E-171,8.557980843839108E-268,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.29051015711751116,3.3552465615763123,0.3009728944629615,2.297657719058708,0.025975326497299132,0.023726241913435996,0.3410539103330494,0.19419071469328775,0.13371768939565898,0.21656263703982198,1.9627797819027506E-11,3.442955513540043E-43,1.164842349117792E-96,7.60114113879639E-172,9.566792328408986E-269,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8183531198523738,3.1190210108106404,0.714934950111518,2.7702823466853386,0.2545646468655825,0.018976335187497577,0.6364987959613694,0.7304922597703415,0.13171749800863097,0.38161883885942666,3.400101096544906E-11,5.96419268415752E-43,2.01784315524366E-96,1.3167370357523188E-171,1.6572445560670051E-268,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.2665686545142827,3.35489036947531,3.606201414459976,8.97012994162856,3.0277155083926988,0.09134841102364319,3.300700797756948,4.083943142912341,0.8949442484753025,2.519108120220254,2.2053575648955082E-10,3.8684665778225986E-42,1.3088039268219644E-95,8.540557765880716E-171,1.0749141612163143E-267,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1392011093954668,3.0292620832088755,0.9162355110660267,3.3509832913511883,0.5478968483643527,0.02181443240676629,0.728049073399494,1.1882075405060974,0.18333643598772303,0.3870456224055294,3.366735491347902E-11,5.9056653358568925E-43,1.998041814908582E-96,1.303815735051133E-171,1.64098181364926E-268,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.074611355723912,3.3085791441311545,4.464332487651915,12.823099857139999,4.94691372100034,0.1310441269720395,3.950430227300484,5.95734362966094,1.3720539150090758,2.973853707198983,2.564370229492931E-10,4.498218648534136E-42,1.521865605523463E-95,9.93088487092247E-171,1.2499006591594204E-267,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.2073971301024655,3.998451051042664,4.60500337659293,6.3040145776758445,1.2915342393605416,0.08830212688420351,5.048163790686465,2.2651569399036124,0.7616897971584625,4.426730606107955,3.9895237882002614E-10,6.998112090415877E-42,2.3676452671931527E-95,1.5449992744656434E-170,1.9445352923279396E-267,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1044418720204607,0.7864194398239148,0.44182761000000004,0.7165162161466547,0.18150840136686877,0.5762459268240805,0.5945759393033561,0.5333178059857927,4.332688921844375,4.1604833922139015,9.571847341821933,0.5747743242199821,1.7041396721132291,3.366986120430858,0.301284007875801,0.09012632331664938,0.8958570932495973,0.0801629130278877,0.6772663329316015,0.0859438116968119,0.02219134828117964,3.758396451623309,1.345026772422176,5.1948490853815406,0.843785639874396,0.785401492909593,2.9385990344067867,0.5139675122385424,0.2418471971352703,0.7954168748299518,0.13912018195140882,0.5162953353744058,0.25396810207202986,0.15979474668425242,3.6944137437805993,2.345337977409811,6.4050242895477005,0.6931253122449277,0.9300581841306881,3.206603300328025,0.7611867908677199,0.4235479431135659,0.7302109915645275,0.17333823652850325,0.6143498622021181,0.5566101730534132,0.4901009389459191,4.391338034309311,4.1213734075948745,9.546517458695476,0.5953164873467913,1.6610609742014506,2.8329990088953734,0.6092861061954006,0.31230637630864266,0.7545425422139478,0.162277602660924,0.4807275865333122,0.3557306083663433,0.26646617201745476,3.7545914913994167,2.8011545255004693,7.09482021888636,0.6318138133209217,1.1029243669171103,3.1583758720667587,0.8152507572384297,0.46301279114825844,0.7118847336356122,0.18375411656850557,0.5962822425646477,0.6389801548272782,0.5856880437966944,4.436639420453447,4.414708277961652,10.043544666720745,0.5678271004534183,1.8209504411886202,3.2137828865505877,0.7624214908139891,0.42466925621359225,0.7302602060713098,0.1732432135739593,0.6171150447278186,0.5584516979146895,0.49269938886480846,4.400873633578169,4.1388288950050285,9.580251405553666,0.5953903091069647,1.6682661315073166 +UMLCN0049,L,nerolidol,CC(=CCCC(=CCCC(C)(C=C)O)C)C,Alcohols,Olefins,C15H26O,Marquardt (2015),IQT,PubChem,,19.2,0,3.701399999999997,13.700361959999977,73.67139999999999,44.53861799999997,0,0,42,16,26,0,15,0,1,0,0,0.0,0.0,0.0,0.0,0.0,2446.3474799999976,2530.665875000002,3349.953247000001,3205.1165360000036,2665.164993000001,2332.315159999996,2518.336565999996,2028.287740999998,1517.1416909999948,7377.321658408485,9182.395166454871,12458.137395251757,14001.936967547663,13140.226885090375,11249.248417173067,10342.026349065458,9971.697026800653,8149.964247286236,301.13952000000006,303.0130760000001,528.3161800000003,682.2255200000009,824.2894200000022,736.5161360000014,586.1030160000004,520.2255320000004,637.5075720000004,54.03663952607404,68.75731573599998,97.39997885243287,114.62849425388585,115.7463225919027,100.21365143814774,86.89171258911082,84.44495435879192,76.33740772929896,6895.225579782976,5941.712283193651,11297.874032474536,14509.74565024168,19069.114834490076,17473.88533587809,13633.683790242714,11075.965614741837,15462.077250683902,115.11805555555556,104.04166666666667,161.54166666666666,225.08333333333331,217.44444444444446,176.125,152.125,166.66666666666666,154.66666666666666,58.24636857142851,61.723557926829315,45.889770506849324,34.463618666666704,22.975560284482764,22.212525333333296,30.341404409638503,28.567432971830957,16.67188671428566,175.6505156763925,223.9608577184115,170.65941637331173,150.55846201664153,113.27781797491703,107.13569921117207,124.6027270971742,140.4464369971923,89.56004667347513,7.169988571428573,7.390562829268296,7.237207945205483,7.335758279569902,7.105943275862088,7.014439390476205,7.061482120481932,7.32712016901409,7.005577714285719,1.2865866553827152,1.6770077008780484,1.3342462856497652,1.2325644543428587,0.9978131257922647,0.9544157279823594,1.0468881034832629,1.189365554349182,0.8388726124098786,164.17203761388038,144.919811785211,154.76539770513062,156.01877043270625,164.3889209869834,166.41795557979134,164.26125048485198,155.99951570058926,169.9129368207022,2.7409060846560847,2.53760162601626,2.2128995433789953,2.4202508960573477,1.874521072796935,1.6773809523809524,1.8328313253012047,2.3474178403755865,1.6996336996336996,0.2823954514865674,-0.12675175480556936,0.04538034772638029,-0.08428897378364807,-0.012315573505587563,0.03950419684407419,0.04916532303814595,-0.10998584113759365,0.04246681378205496,1268.9830422857135,-62.20525961224648,184.57632197959077,-883.7849196326538,-203.81350340816138,326.090859714287,538.0155782448982,-1060.3821895306128,295.3928610000016,2154.429764844777,-56.16070740104237,106.286557256638,-1368.84080110299,-251.53294182956793,505.4491663511615,769.2440573049504,-1681.863247983407,483.2196184799613,1.2128605714285727,-0.07833322448979178,0.19464481632653305,-0.4991964081632581,-0.18249281632653117,0.1517737142857086,0.2837782040816296,-0.5166770612244844,0.09260514285713761,9.62576512726629,-0.09798989197159264,-0.2087366623834311,-5.427866840581043,-0.7972379045114109,1.9827439458165632,2.7883486597073857,-6.763421708013517,1.9627863689064127,52.749779041149544,-0.29294796313211924,-2.2702509132442428,-28.416456258210083,-3.819546241677153,10.321892754135876,14.078923821778481,-35.54957133744282,10.328429688410877,30.59011243386243,-6.379468222474175,7.114209341143864,-9.441598167044605,-4.247889896699425,3.463376322751325,9.429559555303603,-16.13943609851349,2.2996307319224,0.006723701225870652,-0.0030915062147699843,6.216485989915108E-4,-9.06333051437076E-4,-1.0616873711713417E-4,3.762304461340399E-4,5.923532896162162E-4,-0.0015490963540506148,4.666682833192853E-4,30.213881959183656,-1.5172014539572312,2.528442766843709,-9.50306365196402,-1.7570129604151843,3.1056272353741616,6.482115400540942,-14.934960415924124,3.246075395604413,51.2959467820185,-1.369773351244936,1.4559802363923013,-14.718718291430001,-2.1683874295652408,4.813801584296776,9.26800069042109,-23.68821476032968,5.310105697581992,0.028877632653061255,-0.0019105664509705314,0.002666367346938809,-0.00536770331358342,-0.0015732139338494066,0.001445463945578177,0.003419014507007586,-0.007277141707387105,0.0010176389324960176,0.2291848839825307,-0.002389997365160796,-0.002859406334019604,-0.058364159576140245,-0.006872740556132852,0.01888327567444346,0.03359456216514922,-0.09525946067624672,0.021569080976993546,1.2559471200273702,-0.0071450722715151035,-0.031099327578688257,-0.3055532930990332,-0.0329271227730789,0.09830374051557977,0.16962558821419857,-0.5006981878513074,0.11349922734517447,0.7283360103300579,-0.15559678591400428,0.09745492248142279,-0.10152256093596349,-0.03661974048878815,0.03298453640715548,0.11360915126871811,-0.22731600138751393,0.02527066738376264,-0.45979232433393336,0.09245630912325578,-0.13479674676051878,-0.015790222312173956,0.05595585429739582,0.08809928783525213,-0.23039339524638414,0.06940645749155167,-0.05021537636265473,0.08368480323910105,-0.3145264042800537,-0.058152506281343025,0.102788090572724,0.21454096528535194,-0.4943078958241766,0.10743655515665218,-0.02670334475091709,0.02838392363785528,-0.2869372575181625,-0.04227210073302237,0.09384370279299001,0.18067705680149246,-0.46179505879855304,0.10351901135867951,-0.06616077134591558,0.09233330789171021,-0.1858775398271576,-0.05447863239865106,0.05005479372025139,0.1183966341037704,-0.25199924781977134,0.03523969380461455,-0.010428250430961976,-0.012476417660414107,-0.25465972520504,-0.029987756769581354,0.08239319865389906,0.14658280066895651,-0.41564460544224957,0.09411214475487667,-0.0056889913258126625,-0.02476165364192286,-0.24328515765247696,-0.026216965864264523,0.07827060466800345,0.1350579061087397,-0.39866183843822656,0.09036943159095825,-0.21363324579199774,0.13380489375674207,-0.13938973151960013,-0.05027863509342794,0.04528752655276233,0.15598453139401164,-0.31210320259258056,0.03469644096316315,1.4427178796712818,0.7746454215930546,1.5131636303581262,0.9850820791180634,0.583620583814566,0.5907825010415791,1.5384880528091094,0.746309631611399,1.287363322095666,1.0018449742496072,1.438451832524406,1.0041319693135575,0.7820820408758217,0.7130998615751708,1.609047953751525,0.7488683882805637,1.333550381741258,1.0992180905413045,1.3712072895964975,0.9904800922017292,0.8267411183333887,0.7821696510477336,1.5389192153687163,0.7507965968278943,1.0492582824265262,0.7758531305247344,1.7752395755477866,0.9571698623523641,0.4669749971652999,0.48067548000403537,1.8153828274982355,0.7086564546451577,1.3470260135798038,1.1523131605394354,1.3507047660486278,0.9760016939934805,0.8321791057934792,0.813380898100685,1.5045772043779295,0.7486515966515082,1.3481780330986795,1.1656299830265198,1.348637998847893,0.9710319548999535,0.8299444341214677,0.8199816659811009,1.4967053933090737,0.7475054422969281,1.2395072672140273,0.6946953413669547,1.6331932587760771,0.9674344826840672,0.4982698139009454,0.4448610673254775,1.7980161452366343,0.7594433035898047,128.71438823935378,64.48219411967689,100.62185537465481,128.93313823935378,8.058321139959611,64.48219411967689,0.25,0.06303409276870825,0.003939630798044266,-4.422527270245341,167.00556348339984,10.43784771771249,8.188843401813925,128.7179246424006,64.48359511074965,100.62341307663152,128.93603202411197,8.058502001506998,64.48359511074965,0.2492655790987044,0.06300231672782614,0.0039376447954891335,-4.423334047694678,167.02337746179379,10.438961091362112,8.189014059873532,131.94597435648276,65.77348993921228,102.06369004671711,131.59685418818185,8.224803386761366,65.77348993921228,-0.3989944780581993,0.03393421518734463,0.0021208884492090394,-5.4133303616516315,196.58830770631587,12.286769231644742,8.449778773509712,128.72163642459697,64.48506561240788,100.62504807859074,128.9390693747884,8.058691835924275,64.48506561240788,0.24849480021880765,0.06296896499643173,0.003935560312276983,-4.424181268914427,167.04209479683297,10.44013092480206,8.18919335248879,135.5584612207732,67.238083478217,103.71639590282142,134.61145373947642,8.413215858717276,67.238083478217,-1.0822942643391968,7.095427407983745E-4,4.434642129989841E-5,-11.60142371591673,421.1820187013095,26.323876168831845,9.668904141929415,129.0860561733944,64.62959517963635,100.78581714199817,129.23754858603792,8.07734678662737,64.62959517963635,0.17313418587828266,0.059695133051465676,0.0037309458157166048,-4.5096076565325305,168.98387414778668,10.561492134236667,8.207685265802404,166.15428684983428,83.1086249063986,131.6273242827412,166.20937944242687,10.388086215151679,83.1086249063986,0.0629629629629278,0.010484813432866003,6.553008395541252E-4,-7.2925238536074195,141.60613748807336,8.850383593004585,7.924879238660205,0,11.789999999999992,15.994918415807259,-0.38550822961313247,0.13085368494947242,5.59647752423057,9.065983634303148,15.0,41.0,38.0,38.0,12.0,3.0,3.0,0.0,0.0,3.0,28.423381999999993,3.6635815568785715,3.5543724044218883,3.397828837162272,2.9361392190214013,2.7465469677464855,2.6014136435864463,2.333552793103045,2.1776931745621364,1.944192437597742,1.8506650965512688,1.7285993036969818,1.4792595436069447,1.3786924885149585,1.3310700142959042,1.249629722584356,1.0049216445698697,3.672481080563756,3.5552828067011926,3.408791316895527,2.972273673139203,2.7786950054111226,2.6398275201525054,2.4054545878412874,2.2275746136050523,1.9037094478311505,1.8117654316974572,1.6789228421240672,1.4007478676755627,1.287986159823552,1.2332640519245996,1.1345406859483504,0.905083397000948,3.761537543765179,3.658452348979736,3.5087880273812053,3.133430435863082,2.9757882178422546,2.8778349979739986,2.7042369872335175,2.5127858796669567,1.7704532850085042,1.6603082923163985,1.519872964564412,1.1657774596948716,1.0089523941237628,0.9153831802114787,0.7603185604308976,0.5526391439547629,3.68403622505749,3.5649499641247555,3.4209934818604752,2.999062981945974,2.808768785338002,2.6761549887277454,2.4575399160416933,2.273897446985954,1.8794272648770989,1.7876989536160028,1.647822406812657,1.3503186104804528,1.2303154925166138,1.1701639272776774,1.0582626705327118,0.8452029034197274,3.800355804100395,3.698753180226921,3.554867060273003,3.21246613189726,3.067302841827162,2.9842232473572525,2.8389820851496466,2.6317245375006593,1.7335800299026936,1.6217221734706362,1.477537060484143,1.0923615824158612,0.9221400408376619,0.8132547479765133,0.6313372621875626,0.43501016933000164,4.078703600957084,3.6316792951431687,3.483554933789191,3.4177746316224904,2.9933227378388794,2.8163521856854143,2.7119807659261452,2.568973046797042,1.8992727063102308,1.7667839509020002,1.5893269687750031,1.3048904696108883,1.138649213734012,0.9822902935382704,0.9375531072199983,0.749967852538111,0,0,1,3,2,4,4,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9040302062452235,0.25,0.0,0.0,1.0754238458582033,0.09128709291752768,0.0,0.0,2.1540302062452237,1.8442436283106987,1.0988770323250983,1.1136643510876552,0.8937509652061015,0.511081941627107,12.604448006685086,7.371009241333562,6.839917703577247,3.9859814363187303,2.12475257152358,1.2165346543038424,1.128324628252475,0.4569484730857798,0.7877780004178179,0.4914006160889041,0.3599956686093288,0.24912383976992064,0.16344250550181386,0.10137788785865354,0.08059461630374821,0.05077205256508664,11.214798309001575,6.021483854112556,4.970598440547062,2.6742876110994955,1.403428010735793,0.7175030629496888,0.6137734278412063,0.22394350341520097,0.7009248943125984,0.40143225694083706,0.26161044423931906,0.16714297569371847,0.10795600082583023,0.059791921912474066,0.043840959131514735,0.024882611490577886,22.75856055363318,40.87254187909689,38.78039215686273,39.28,25.86144790419165,321.00722634730545,0.5418704893722186,0.9731557590261165,0.9233426704014936,0.9352380952380953,0.6157487596236108,7.643029198745368,4.174870000000006,71.66680000000005,72.69068208743366,113.29983686377658,145.38136417486731,9.086335260929207,72.69068208743366,0.08505981607006702,0.005316238504379189,-3.943040882422694,111.40925340897626,6.963078338061016,7.541136622009657,254,1.0,0.0,1.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,3.0,0.0,0.0,5.0,6.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,1.0,4.0,0.0,3.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.39450659970140495,0.0,9.728122898876418,12.48889375734862,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.39450659970140495,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4134760802469136,0.9485095706862482,0.0,0.0,1.893814208553792,2.075265079612347,0.0,1.3619856509331618,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.202845386585917,3.6206722977299277,3.8889777809271857,0.0,6.090672437956664,0.0,0.0,0.0,0.0,2.7775490216620273,0.0,0.0,-0.7255064904048039,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.728122898876418,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.39450659970140495,0.0,9.728122898876418,1.377213609719472,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.39450659970140495,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4134760802469136,0.28271258503401364,0.0,0.0,0.35629822530864197,0.3143909526620566,0.0,0.28271258503401364,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7979702853363568,3.6206722977299277,0.7465127393550013,0.0,1.6104702853363568,0.0,0.0,0.0,0.0,1.377213609719472,0.0,0.0,-0.7255064904048039,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.728122898876418,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.39450659970140495,0.0,9.728122898876418,3.6206722977299277,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.39450659970140495,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4134760802469136,0.381410214740166,0.0,0.0,0.4069249574829932,0.39044926303854877,0.0,0.4134760802469136,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.154223828420257,3.6206722977299277,1.113608985260771,0.0,2.2611512266943814,0.0,0.0,0.0,0.0,1.400335411942555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.728122898876418,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,33.583333333333336,2.0989583333333335,0.4134760802469136,9.728122898876418,0.04381944444444444,-0.7255064904048039,7.7054950685144785,1.9755064904048039,3.728122898876417,10.467744900952422,1.9755064904048039,3.728122898876417,10.467744900952422,7.83333,0.48958,0.0,0.01042,0.47064,0.74792,0.428,0.44931,0.72157,0.04264,0.02133,-0.02131,0.02635,0.6546,0.05969,0.0,0.3617,0.12766,0.06383,10.75,0.67188,7.75,0.48438,3.0,0.1875,-4.75,-0.29688,0.0,0.0,17.9464,1.12165,23.88577,5.93937,0.37121,5.45556,0.34097,7.37099,1.91543,0.11971,0.54301,0.03394,0.54301,0.03394,0.0,15.01,1,1,1,1,1,1,0.6,1.0872033369264704,2.670582544715083,3.861275457926424,4.26650283908485,4.51089956542986,4.463280517810811,45.66254015091176,112.16446687803348,162.1735692329098,179.1931192415637,189.45778174805412,187.45778174805406,0.2016207970869442,0.4952569248675428,0.7160697628101866,0.7912187849071841,0.8365419191337794,0.8277110132568569,4.30511408585229,2.721734878063678,1.5310419648523368,1.125814583693911,0.8814178573489011,0.9290369049679494,0.1991422208156244,0.4891686042184872,0.7072669331995807,0.781492129056063,0.8262580943464227,0.8175357490648211,8.851334978265674,21.52792225163353,25.216815964370884,26.869656057443137,27.115965195992498,26.54453662456392,59.90890677136,33.45402511489441,25.424575652645913,21.419884522016243,20.194469058177727,21.163702607543087,16.0,8.14404432132964,9.953125,16,2,12,3.0,2.1518,1.5701862097112098,8.210288418420197,2.8000940728538306,1.310005142661038,7.2130129426947445,4.959317627513377,2.524573168363892,0.25,0.3535533905932738,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.495,0.48200000000000004,0.562,0.599,7.424,19.0,16.0,13.0,12.0,14.0,9.0,7.0,6.0,7.0,134.0,2.9444389791664403,3.295836866004329,3.295836866004329,3.1354942159291497,3.295836866004329,3.6109179126442243,3.367295829986474,3.1354942159291497,3.2188758248682006,3.4965075614664802,5.6240175061873385,2.0597014925373136,0.45454545454545453,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.4666666666666667,12.0,0.8,0,6.0,11.0,0.8333333333333334,5.0,1.7777777777777786,0.75,0.3200000000000002,0.5,0.20408163265306126,0.125,0.07407407407407406,0.12000000000000004,0.03305785123966942,0.3333333333333333,0.09356725146198834,0.046875,0.02461538461538463,0.041666666666666664,0.014577259475218662,0.013888888888888888,0.01058201058201058,0.020000000000000007,0.004722550177095631,0.6038283452005868,72.69068208743366,113.29983686377658,145.38136417486731,9.086335260929207,72.69068208743366,0.08505981607006702,0.005316238504379189,-3.943040882422694,111.40925340897626,6.963078338061016,7.541136622009657,20.23,268.87707868696134,5.0,4.23410650459726,4.9344739331306915,5.733341276897746,6.453624998892692,7.256297239690681,7.982416346827733,8.7879833961978,9.517015920920498,10.32485881766135,96.22411843481646,3.4339872044851463,0.0,4.672828834461906,0.0,6.056784013228625,0.0,7.497207223203318,0.0,8.965845494750937,9.231220849555537,222.198365452,5.290437272666667,30.07359708781558,1.8795998179884736,2.4041045557285363,2.4041045557285363,0.0,562.0,16.0,4.290000000000001,68.0,1.229319941642973,2.1518403155339456,3.0347379107641927,3.7349594410037827,4.546754803163553,5.447296261085762,6.320190562122257,6.600316646993026,5.442820184478622,5.685852921080366,88.21595013295187,113.20853245047388,117.78738490231414,100.76746039001729,117.81208504310919,184.14937593500295,165.8728072616294,92.45895692748115,109.1357986584897,164.7486824721219,303.24203979823443,404.0314293323332,487.8410917422462,463.7219274963762,534.0575813871362,725.182298736962,860.7067539526367,519.7355610854643,532.1181650888235,625.2954391221572,9.121901271374316,15.672378015163805,22.30571921390164,26.704178682337876,32.07199574411839,38.69524562822075,46.545079709349785,45.93789222496346,38.4216767672073,40.395158898782064,2.2116084167027212,3.082611649923191,3.914795061823164,3.9658033960801764,4.62232602818958,5.966314671405993,7.373978081898018,5.042806298821369,4.815102448255244,5.271894291334761,175.66978254002117,327.8674068301595,469.37332222081255,607.3116078078691,748.1235397689168,886.4524967621802,986.6010486135635,1140.0109726693602,916.2469291839981,953.9976706343065,3.2006765276289877,5.0325503459042515,7.552804831707233,7.404409195957572,8.046245567482158,10.642085140611682,15.323341674133149,10.542966293021005,9.809972978137436,11.969471477219711,0.46594141268786643,0.6640564106931074,0.8567636125735568,0.8666368986682855,1.0037204649150786,1.3011465033324545,1.6347929567743222,1.1265868716358198,1.073295698712994,1.195442643390334,418.50490915347393,479.7431783823767,17.53670576643276,117.75611290373445,-134.986927614927,-16.251634282007398,300.7487962497395,614.7301059973037,33.78834004844016,0.7804126944524187,0.8946075859513013,0.03270180946427604,0.2195873055475813,-0.2517187005258916,-0.030305455018272188,224.4278703186011,257.26756716430697,9.40425175782377,63.14801345924066,-72.38822776714315,-8.715118010169254,0.18402445281458232,0.3362635897732917,3.264940257932233,8.072909635217371,494.51145644210374,41.74956561510466,0.9221469323745651,0.07785306762543485,1016.423245083392,31.881393399338616,10.05444716289569,1286.2856238836976,35.86482432528699,10.87541417053694,2085.329118074379,45.66540395172673,12.775900941383082,1.4979860794004893,1.4942530681337287,2124.456527302465,1257.8315080187292,1088.2859328633072,1.6889833922579969,1.9521124579024627,1.1557913872040444,6.353577875620249,5.62526560972902,9.20461303151849,0.6362983848440703,12.24171430008459,11.018553597151215,13.1815242609575,28.455090817941027,22.227252691172154,25.248819593916465,25.192190698442857,24.970049703412123,22.859949545308666,25.220760715210403,29.814157426759547,16.169512975395136,12.804987782991082,14.866035991609293,5.656132641339529,9.11622135299028,1.3556541210371604,1.7280307211524863E-4,3.350723354441547E-28,1.3310697353484853E-73,1.0206875850750326E-140,1.5096121900188002E-229,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0531046282630587,11.216813399598673,0.8544554853103098,10.95012771759348,3.274100850710625,2.141207704098247,5.43103302824207,6.628162450932215,6.332549723385069,7.264432403807628,4.240366829752775,4.317918437195772,1.8289072760542444,2.209103175605607,0.34844060015691897,0.33264721614410786,0.00954798359387333,1.2170661662001738E-6,2.359941855818257E-30,9.374832981355936E-76,7.188786118494965E-143,1.0632322088173694E-231,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.2451073122641874,10.811908709639306,2.9241546445203825,13.007196071825033,5.8763874577331805,5.524454368745649,7.946377575362757,8.868273098349913,8.026337459157565,9.40814584275541,6.869811973208259,6.091177807863671,3.348725763993486,3.503011035093769,0.7888832814741553,1.0762963715562706,0.09949734450398065,1.2682767814752277E-5,2.4592413662361055E-29,9.769298769995024E-75,7.491269393794842E-142,1.1079699372218876E-230,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.84341073257898,11.233968865249627,12.268913100769925,27.55278111559332,20.618929783216547,23.455513182965326,24.074921843493357,23.992383125977334,21.67954423384526,24.409219278543265,27.824295565699387,15.416071588927773,11.929337119935528,14.975144611430503,5.298071939532998,8.863078252794157,1.2078634158032435,1.5396442618723996E-4,2.985434183917225E-28,1.1859591702249988E-73,9.094142623095747E-141,1.3450372829395853E-229,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.696199469401586,10.659279025568166,4.477519113590537,14.782738279739991,8.038811151323944,8.23410161013909,9.964542740714563,10.680861312199864,9.706163787872645,11.168618804734878,9.469441711231077,7.510582751553069,4.608644240855406,4.5793804701906895,1.2531406185952951,1.7320707447135841,0.21612152585298247,2.7548666449134758E-5,5.341800867595258E-29,2.122022236687869E-74,1.627203815638858E-141,2.4066587579322287E-230,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.017151430910928,11.165734047790838,16.73988403731087,34.728907603528455,28.69087504012258,32.717292636710674,32.43076757508614,31.8758104841127,28.94656116943667,31.870300990424514,39.40537895815268,19.700721338597017,16.459717861914545,19.54726329067837,7.906279217134262,13.071856168656522,1.9770941265049116,2.5201704037557647E-4,4.886715106201903E-28,1.941240112978442E-73,1.4885769170072835E-140,2.2016275034143822E-229,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.159726660215316,10.044026115893368,6.2581700860103435,20.49302304132009,11.385117409444806,13.44920339171737,14.877303862069496,16.86324384416918,15.279402399626154,16.800992845877868,15.976484005619689,10.328262218782497,7.073682463691376,13.31051295732867,3.014511222533379,5.769705113983432,0.40090172459985984,5.11023040729279E-5,9.908949049744533E-29,3.93631487712698E-74,3.018435187377903E-141,4.464310745302536E-230,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.616777471541499,5.217519201182642,0.9421163291579449,0.4769514682139489,0.4430482524983445,0.43392768460021064,0.5377491325218395,0.3086052024902867,11.776413001882087,39.51281211685287,78.89855115641885,0.3799995810684402,1.280282019612337,5.201726591880728,4.401286271035072,0.5008571063326581,0.5148251717126602,0.4356040095953894,0.5092049773403502,0.26690794217784597,0.08825405557804868,10.103869969248459,27.70402506911801,49.274661794712486,0.42564377196207437,0.8643669750962448,5.008907236021171,4.838572763723716,0.6811644969414543,0.47574094059283834,0.45956274478130116,0.3407446855920647,0.4109450648924239,0.16314522622205202,10.528644496686342,30.943715888397936,57.981037336052665,0.4029555280612092,0.9148349767065407,5.550614669625327,5.308278085745468,0.9229963350024164,0.47111415046001776,0.4505455827183753,0.4217476146740585,0.5436490074932551,0.29648915513786667,11.781889090373213,39.48692442858098,78.46416786748347,0.3824895997675897,1.2618857773051801,5.216554983260154,4.815804390390662,0.764113826831898,0.4831721328245338,0.44605347514550825,0.3741630684371501,0.45919743653838974,0.20498876353844628,10.796473200482714,32.787772904251725,62.78024366277711,0.39383841195506314,1.0383492685139861,5.688807950603779,5.30138791024537,0.974481665433113,0.47546688476203675,0.44308656866012913,0.44509161417436777,0.5548439366395912,0.32931910000518044,11.964677526282262,40.868322058955,82.22198060264347,0.37783018013324887,1.3292546508191394,5.559819527427467,5.290816546864999,0.9310295183105067,0.47190437410803415,0.44907203529752165,0.4240256331443338,0.5468741391354837,0.302074198711689,11.781665592602973,39.5182476309075,78.68706371141302,0.38146461410833377,1.2729739709915064 +UMLCN0050,L,1-octanol,CCCCCCCCO,Alcohols,,C8H18O,NREL (2014),CFR,PubChem,,39.1,0,-2.125400000000001,4.517325160000004,30.6451,26.884273999999973,0,0,27,9,18,0,8,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1428.370120999998,1423.9603239999994,1463.375978999998,1293.0369139999964,1096.2801849999971,899.5234560000002,702.7667270000002,506.0099980000002,309.2532690000003,4164.033390715742,5299.883923245413,6760.794109247589,6562.173119496646,5555.374774541525,4548.576429586405,3541.778084631285,2534.9797396761583,1528.1813947210292,194.60819600000008,193.28840800000003,354.932916,466.72807999999964,403.84317999999985,340.95828,278.07338000000016,215.18848000000014,152.30358,30.957436287281975,40.32666125600001,56.99473432049005,59.533140987168096,50.51161212777208,41.49008326837606,32.46855440897998,23.447025549583977,14.425496690188005,4528.323870958982,3829.171408860451,7727.3309699767915,11056.23476756867,9577.279612530074,8098.324457491478,6619.369302452881,5140.414147414284,3661.458992375688,73.75,58.5,91.25,105.0,92.75,80.5,68.25,56.0,46.0,52.902597074074,54.76770476923075,29.864815897959144,19.59146839393934,19.232985701754334,18.740072000000005,18.019659666666673,16.86699993333334,14.726346142857157,154.22345891539786,203.8416893555928,137.9753899846447,99.42686544691888,97.46271534283377,94.76200894971676,90.81482268285346,84.49932465587194,72.7705426057633,7.207710962962966,7.43416953846154,7.243528897959183,7.0716375757575705,7.084968070175436,7.1032975,7.130086666666671,7.172949333333338,7.252551428571429,1.1465717143437768,1.5510254329230773,1.1631578432753071,0.9020172876843651,0.8861686338205629,0.8643767347578346,0.8325270361276919,0.7815675183194659,0.6869284138184765,167.71569892440675,147.27582341770966,157.7006320403427,167.51870859952533,168.02244934263288,168.7150928644058,169.72741801161234,171.34713824714282,174.355190113128,2.7314814814814814,2.25,1.8622448979591837,1.5909090909090908,1.6271929824561404,1.6770833333333333,1.75,1.8666666666666667,2.1904761904761907,0.2384630296776695,-0.10049999181525529,-0.03827167258220071,0.015330384457141934,0.0013177433383332604,-6.510607078587423E-5,-3.720662135446671E-4,0.0011012128366470666,0.009991174811189128,800.2177742962954,-66.8777167297664,-372.1134905377228,6.173489646090275,5.9771421893002525,5.7807947325102305,5.584447275720095,5.388099818929959,5.191752362139823,1266.518059790474,-76.37381503272282,-608.3916341217343,-13.755400305492753,-14.180692584036318,-14.605984862579998,-15.031277141123507,-15.4565694196673,-15.881861698211093,1.1226669629629635,-0.08191248285322174,-0.17375619204389453,0.003751572016459353,-0.006426995884774758,-0.016605563786008925,-0.026784131687243088,-0.036962699588477255,-0.047141267489711425,5.603020215168077,-0.22897821585605505,-2.5105034136241198,-0.14450754047736702,-0.15380907134156652,-0.16311060220576512,-0.17241213306996328,-0.18171366393416077,-0.19101519479835893,30.804230646545797,-1.0779021461589435,-13.314970160361739,-0.9310870988044928,-0.9997165440205324,-1.0683459892365756,-1.1369754344526184,-1.2056048796686651,-1.2742343248847066,24.40740740740738,-2.133058984910837,-3.054183813443072,-0.1440329218107008,-0.4526748971193424,-0.761316872427984,-1.0699588477366264,-1.378600823045268,0.5627572016460901,0.008831964062135907,-0.003865384300586742,-7.81054542493892E-4,2.322785523809384E-4,2.311830418128527E-5,-1.3563764747057132E-6,-9.540159321658131E-6,3.670709455490222E-5,4.757702291042442E-4,29.637695344307236,-2.5722198742217848,-7.594152868116791,0.09353772191045871,0.10486214367193425,0.12043322359396313,0.14319095578769472,0.1796033272976653,0.2472263029590392,46.90807628853607,-2.9374544243354928,-12.416155798402741,-0.20841515614382958,-0.24878408042168978,-0.30429135130374996,-0.38541736259291043,-0.5152189806555767,-0.7562791284862426,0.041580257887517166,-0.0031504801097392977,-0.003546044735589684,5.6842000249384134E-5,-1.1275431376797822E-4,-3.459492455418526E-4,-6.867726073652074E-4,-0.0012320899862825752,-0.00224482226141483,0.2075192672284473,-0.008806854456002117,-0.05123476354334938,-0.0021895081890510155,-0.00269840476037836,-0.00339813754595344,-0.0044208239248708535,-0.006057122131138693,-0.009095961657064711,1.140897431353548,-0.04145777485226706,-0.2717340849053416,-0.014107380284916558,-0.017538886737202324,-0.022257208109095327,-0.029153216268015855,-0.040186829322288835,-0.060677824994509834,0.9039780521261993,-0.08204073018887835,-0.06233028190700147,-0.0021823169971318303,-0.007941664861742848,-0.015860768175583,-0.027434842249657088,-0.0459533607681756,0.02679796198314715,-0.43765851778748566,-0.08843497742958469,0.026299761949525477,0.002617572265765581,-1.5357585981590706E-4,-0.0010801854779457691,0.004156164392954406,0.053869131006086174,-0.0867887952939584,-0.2562329081223741,0.0031560389842668823,0.0035381342055692605,0.004063515134860031,0.004831379569977212,0.006059962666164704,0.008341616987655757,-0.06262150692914646,-0.2646912169671972,-0.004443054856094459,-0.005303651313505057,-0.00648697144244468,-0.008216439323202497,-0.010983587932415207,-0.01612257820666738,-0.07576865247594111,-0.08528193223770852,0.0013670429943737482,-0.0027117271391870865,-0.008320036072833261,-0.016516795283546902,-0.029631610020688728,-0.053987694532523556,-0.04243873146635153,-0.24689159820012116,-0.010550867002824843,-0.013003152894751815,-0.016375045996151312,-0.02130319745204283,-0.02918823978146915,-0.04383188982183247,-0.0363378632582966,-0.23817573555491253,-0.012365160878817756,-0.015372886514780196,-0.01950850926422862,-0.025552880974960914,-0.03522387571213271,-0.053184294509737245,-0.0907552235321584,-0.06895110092595466,-0.002414126086356762,-0.008785240795463646,-0.017545523520485613,-0.030349013657056202,-0.05083459787556911,0.029644482982874497,1.3838227559117862,0.835861368613354,0.6206391606877077,0.7182401166984169,0.8271046288629472,0.9832799939170225,1.2277566509479658,1.6550568312020222,1.4363317410822998,1.3584434596592936,0.8893421290432393,0.8917444124631965,0.8950475521656374,0.8998752178845896,0.9075994830349132,0.921944546885515,1.5574440224823294,1.4569456799601133,0.9416239566264355,0.928140771169192,0.9096013911654819,0.8825053742369825,0.8391517471513839,0.7586378682781291,1.0490555426087236,0.8960299152462501,0.6485906299456093,0.731728022907968,0.8460419382312114,1.013116122165182,1.2804348164595354,1.7768838201490489,1.5956499431214006,1.4670487536558934,0.9476523944807042,0.9334162656546346,0.9138415885187892,0.8852324450125536,0.8394578154025764,0.7544477889840471,1.5987558061546132,1.460422741528204,0.944426202575818,0.9316411299144908,0.9140616550051651,0.8883685762915355,0.847259650349728,0.7709145021720862,1.065250379362672,0.864157195503392,0.6335011725755283,0.7241833719351498,0.8488713960546291,1.0311077389984837,1.322685887708651,1.7500541946672468,54.2584688444376,27.254234422218786,43.68224278619063,54.45291328888203,6.05032369876467,27.25423442222413,0.24999999999997158,0.02290454614207349,0.0025449495713414988,-3.3987778799731205,76.38735180854307,8.487483534282564,3.9022354172006897,54.26204638922434,27.25565598416152,43.684093447044084,54.45591961741222,6.050657735268024,27.255655984166854,0.2492655790987044,0.022838854977836498,0.002537650553092944,-3.401362824992898,76.47019488048875,8.496688320054306,3.9032109499586856,57.47152872216561,28.536267122053786,45.39800232621155,57.16119968367602,6.351244409297335,28.53626712205516,-0.3989944780580359,0.038893585156782984,0.004321509461864776,-2.9222333531563693,64.15837028681595,7.128707809646217,3.7452191062221627,54.2658011991134,27.25714799966616,43.68603594176999,54.45907493261701,6.051008325846334,27.257147999671485,0.2484948002189249,0.02276990180133992,0.0025299890890377688,-3.404084140394173,76.5575365072378,8.506392945248644,3.904238312409885,60.94721384729215,29.932459791476482,47.39137561954714,60.105429419472785,6.678381046608086,29.932459791476813,-1.082294264339179,0.11226929764970583,0.012474366405522871,-1.9681693653911316,48.01264254603093,5.334738060670103,3.4843179263430897,54.633681354371554,27.403407770124925,43.8770271589268,54.76834127672134,6.085371252969038,27.403407770129466,0.17313418587829688,0.015978820012193085,0.0017754244457992316,-3.722842064619258,87.75330552150622,9.750367280167358,4.027076578257518,55.376325143357235,27.955522654984538,45.35647806311007,55.76289716182094,6.195877462424549,27.95552265498751,0.666666666666643,0.04280088725174036,0.004755654139082262,-2.8360768017855635,60.48355947785696,6.720395497539662,3.692134425546005,0,11.996291912426313,15.997943027739842,-0.421719350035312,0.06970748180308864,3.9358044075524417,7.229298343597952,8.0,26.0,26.0,26.0,8.0,0.0,0.0,0.0,0.0,0.0,19.677725999999996,3.4962232365739743,3.2735142216237523,2.9301797366067426,2.5090127031135174,2.068479322824551,1.672795157339586,1.3708255004659524,1.1779892016933686,1.912429970949782,1.7409868543934253,1.486937544717336,1.1990793991564184,0.9334437945740395,0.728238379709267,0.5915175950143706,0.5144482466383027,3.518925420834518,3.284454338795974,2.9288320939722934,2.5026887380212437,2.0703753878027285,1.6961297862325884,1.4212468515671521,1.2524149673975633,1.8548142916216979,1.68256037683807,1.4242472736919294,1.1248179719330023,0.8397919774350928,0.6127628421383783,0.4574369509872016,0.3655222167279845,3.6504456910403906,3.4494071657373286,3.1438843823755915,2.7790864397108357,2.4145212358254837,2.1074150317319353,1.8883442223632732,1.7557080689103544,1.6703640160227182,1.460111874682428,1.1455563884343347,0.7786320442995852,0.422905428419784,0.13310841808015564,0.06735570571145219,0.18371183218278947,3.5389443357589374,3.3044237281862343,2.950079182199539,2.528435458860147,2.1056216388849145,1.7455916413931094,1.4862715951352568,1.331652115961496,1.8184553204233342,1.646367307657454,1.385239919351618,1.0775137185283656,0.778912439305334,0.5369276704010204,0.36952647900323027,0.26952951291337784,3.709923387813301,3.5147360261170015,3.2207320566793727,2.874829580160705,2.53645991895281,2.2583816816685944,2.063953567780861,1.94752988008199,1.6139997701253779,1.3961339134353872,1.068237745178278,0.6812909478140768,0.2989951458725136,0.01997261828143978,0.24564494873042989,0.38006112731930997,4.482001379021243,3.5495581589044765,3.3013287559885898,2.916151563631336,2.4770239002701278,2.075831229055545,1.7733220832719832,1.5799662870348112,1.7608476502052608,1.5289862223931987,1.2040621594897178,0.8558031223760675,0.5434186854437556,0.30294059787205657,0.14385466095394167,0.05659774769891071,0,0,0,0,0,2,6,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.949747468305834,4.414213562373095,2.767766952966369,1.7071067811865475,1.0303300858899105,0.6035533905932737,0.33838834764831843,0.17677669529663687,0.7721941631450926,0.5517766952966369,0.39539527899519555,0.2845177968644246,0.2060660171779821,0.15088834764831843,0.11279611588277282,0.08838834764831843,6.396961063805792,4.023334547203385,2.491373750716348,1.5116672736016927,0.8921334847649001,0.5058336368008464,0.26929004708581317,0.12791681840042318,0.7107734515339769,0.5029168184004231,0.35591053581662113,0.2519445456002821,0.17842669695298002,0.1264584092002116,0.08976334902860439,0.06395840920021159,13.591249338489726,26.321194464675887,24.878431372549027,25.239999999999995,15.667229940119753,208.66612215568864,0.5033796051292492,0.974859054247255,0.9214233841684825,0.9348148148148147,0.5802677755599909,7.7283748946551345,2.3392000000000013,40.4618,27.742189319152196,44.32390805791539,55.48437863830439,6.164930959811599,27.74218931915535,1.2212453270876722E-15,1.356939252319636E-16,-30.905014767190856,2000019.3289432311,222224.36988258123,13.057800662654222,96,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6602322688334594,0.0,8.42278195074326,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6602322688334594,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1397677311665406,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2143283100277147,0.0,7.862889739229025,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.42278195074326,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6602322688334594,0.0,8.42278195074326,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6602322688334594,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2123456790123457,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2143283100277147,0.0,0.3671875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.42278195074326,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6602322688334594,0.0,8.42278195074326,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6602322688334594,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2143283100277147,0.0,1.3526077097505669,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.42278195074326,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.5,2.0555555555555554,0.6602322688334594,8.42278195074326,0.2123456790123457,0.3671875,4.746502684240363,1.1328125,2.42278195074326,5.274220521541951,1.1328125,2.42278195074326,5.274220521541951,4.33333,0.48148,0.0,0.01852,0.46173,0.78519,0.42414,0.46173,0.73667,0.03759,0.0,-0.03759,0.04852,0.61321,0.10108,0.0,0.19231,0.0,0.0,4.25,0.47222,4.25,0.47222,0.0,0.0,-4.25,-0.47222,0.0,0.0,8.52428,0.94714,9.36685,0.84257,0.09362,4.07596,0.45288,4.41421,0.33826,0.03758,-2.1E-4,-2.0E-5,-2.1E-4,-2.0E-5,0.0,8.01,1,1,1,1,1,1,1.0,1.086048612313038,1.6068636760307757,2.615093520281345,3.217488427929138,3.0785495418360598,2.548831101817646,29.323312532452025,43.385319252830946,70.60752504759631,86.87218755408672,83.12083762957361,68.81843974907645,0.22840679444442943,0.3379393677136745,0.5499801034391413,0.6766697269841155,0.647449501262716,0.5360444596550246,3.668838889850431,3.148023826132693,2.139793981882124,1.5373990742343313,1.6763379603274093,2.206056400345823,0.2310525562367053,0.34185390567379736,0.5563508261128279,0.6845079653955385,0.6549492656941359,0.5422537580857745,9.449442116690685,13.430852525693481,17.5043333125118,18.61834918073904,16.501867756466368,14.38019087673009,33.38680559561979,28.201561661513583,23.459206037348707,21.317629180208378,25.107104449466448,28.532046288503736,9.0,8.0,8.0,9,0,8,2.23,1.294500000000001,0.0,2.070996628837124,0.0,0.0,9.333258269463991,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.385,0.375,0.449,0.20500000000000002,4.616,7.0,6.0,5.0,4.0,3.0,2.0,1.0,0.0,0.0,45.0,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,0.0,3.828641396489095,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.75,8.0,1.0,0,4.0,8.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.0,0.0,0.0,0.0625,0.03174603174603176,0.020833333333333332,0.016000000000000004,0.013888888888888888,0.01360544217687075,0.015625,0.0,0.0,0.0,0.17419869614512473,27.742189319152196,44.32390805791539,55.48437863830439,6.164930959811599,27.74218931915535,1.2212453270876722E-15,1.356939252319636E-16,-30.905014767190856,2000019.3289432311,222224.36988258123,13.057800662654222,20.23,155.71456240829454,4.169925001442312,3.4339872044851463,4.04305126783455,4.672828834461906,5.303304908059076,5.942799375126701,6.580639137284949,7.223295679562314,7.8636512654486515,8.507344855361422,70.57090252762471,2.833213344056216,0.0,3.8066624897703196,0.0,4.919980925828125,0.0,6.09807428216624,0.0,7.311218384419629,7.671360923190644,130.135765196,4.8198431554074075,16.82976753783411,1.8699741708704565,2.410977518917055,2.410977518917055,0.0,120.0,6.0,3.127,30.0,1.2279230769230767,2.1287508953336527,2.8437305155586032,3.555530911396533,4.896397663571995,5.8828413330048255,7.191897231335376,8.230902348190835,9.429326702323877,9.871696898686254,78.91090557965383,70.9053168445941,68.35240109624984,89.7008630669007,110.10536338828587,127.46275053232469,139.52602989906808,138.68579221443989,56.78408405574945,10.030275837666755,276.45110807137223,313.5144530047834,311.74741169049463,411.32844823697354,512.1505484882204,595.3977831852852,652.8006155653604,639.0430621324261,489.0408050371803,306.8493034983705,9.155826991230768,15.469111140133117,20.178513793096975,25.480676331598588,34.980683807854355,42.2853267036459,51.88206407937547,60.16399576205696,70.65838318032482,66.32264023273525,2.045513112012384,2.5946161685949662,2.7231204403497573,3.555996114841659,4.514407129803926,5.267459467236954,5.874708243633427,5.862010865250891,4.954027807667903,4.3890838339137614,178.40066502449514,332.4456585882454,472.971884875406,583.775466869582,817.5975452609218,985.7281390805508,1223.6066698545058,1426.2711930052258,1719.0062487611995,1825.4510120001232,2.8250192307692306,4.054992263783964,4.675434414201886,6.310860770618412,8.612776447593854,10.963340757251908,14.063093716988066,19.24587567515349,22.92212422569904,9.871696898686254,0.4386051576923078,0.5665974015848623,0.6023488235198181,0.790896620170863,1.0157006749215813,1.2030738083679609,1.3777730099877694,1.4563123308867862,1.3351629972448953,1.0108617624254725,445.212570049345,337.32643361716805,19.3674910659451,170.45968397235947,-129.15304090253446,-22.9089241762828,274.75288607698553,466.47947451970253,42.2764152422279,0.7231324249893025,0.5478993594622443,0.031457469358790256,0.2768675750106975,-0.20977563965060766,-0.037209609539226016,274.10502652107624,207.6825257261847,11.924026879315642,104.94729785108997,-79.51594380622078,-14.10438898482435,0.2767988232238642,0.5222631259274227,9.564683521799205,19.647841818617035,543.4970344175139,72.17521960419057,0.8827700629146004,0.1172299370853996,532.2508829243542,23.070563125427913,8.104112543152095,714.9614283786997,26.738762656089747,8.941853237589083,832.1223522409671,28.8465310261211,9.405799771663535,2.9575198293672313,2.9575198293672313,1426.292314583558,1398.2530397868447,54.7147548943492,1.0200530762307427,26.067782215924023,25.555319446953288,4.803650023647478,5.6454556919422,10.454933546015697,0.8519202198217763,5.455646818004794,7.022422224609278,4.486184501957173,29.410576434658978,11.295989952151745,0.09382422945130253,6.01046268549227,5.343490250222769,16.671871321169323,0.7907887991811391,2.0373994385415206,12.705429096683089,4.033225377060874,9.037697638720791,1.3542883072910532,1.6008182411922158,1.552450511172624,3.636945486166863,0.06585377936716423,1.6328135729651567,2.501797475139241E-13,7.39528267024703E-48,4.2163175523886564E-104,4.636473168768131E-182,9.833725795199392E-282,0.0,0.0,0.0,0.0,0.0,0.4777596836320827,7.149147371002818,0.38944062289458736,6.3512281159608746,0.082240703034229,0.02378829221295602,0.8312466335016551,0.191333667529582,4.536445049035873,0.02410504694636187,0.22424095807142774,0.8239934936234006,0.12637889404893285,2.2881042930509072,0.05719939908035015,0.42214854752238706,0.10640956118901025,0.17784346522425754,0.05400292922841069,0.18248512435283792,2.7967083975918403E-14,8.267035742089504E-49,4.713335440960504E-105,5.183018839517159E-183,1.0992921603104229E-282,0.0,0.0,0.0,0.0,0.0,1.4228174172279269,6.912933389471151,1.0077735772030154,7.895102163047986,0.8359525177053426,0.019038419697815622,1.674697902229102,0.7870480284862187,5.954692810137924,0.10566059696006595,0.38745081684036997,2.762012606973993,0.5476864924273679,3.2527771414255544,0.2218475180980311,0.5013884355938553,0.3555917692365646,0.5561258456925612,0.03075073678403226,0.31614248068212025,4.844706154070727E-14,1.4320892006514017E-48,8.164857386162696E-105,8.978484596425883E-183,1.9042913085838473E-282,0.0,0.0,0.0,0.0,0.0,5.372643627584555,7.148941220549182,4.717476051021665,27.12734692695867,10.066370726312824,0.09141091708324128,6.30792576420924,4.866781690020784,16.258338822914705,0.7173413439953795,1.907903126919435,11.852055243780326,3.660984303601255,8.877763462536288,1.2394639487007477,1.5947339583353302,1.4492228329123065,3.545618083522591,0.07644085187237235,2.0507218887996723,3.142350495512448E-13,9.288749546768183E-48,5.295851355533463E-104,5.823582405885131E-182,1.2351524626732048E-281,0.0,0.0,0.0,0.0,0.0,2.030070267373686,6.8231891762997,1.3551648629222597,9.853009576459742,1.8092005131793665,0.02187656127322324,2.1422051124636363,1.3313685992466635,7.078938872086638,0.1838974443358787,0.5637359446542328,4.225317000495117,0.9485919216066071,3.946119452520002,0.364599618893559,0.6096919596858548,0.5399046236739763,0.8532020719841531,0.0234619230080627,0.3130763910744741,4.797164463265431E-14,1.418035935124496E-48,8.084734647450003E-105,8.890377634928365E-183,1.885604266332614E-282,0.0,0.0,0.0,0.0,0.0,6.769113831549372,7.102725588860143,5.931697832998537,40.00418826416019,16.465391681327997,0.13110692559621648,7.727828492981086,7.291679003246373,21.34078290193935,1.0928336261020068,2.7314355629694242,16.244409356451268,5.562579654556589,11.32770074102939,1.8196451412678287,1.98589785959437,1.9593287893820825,5.042877784537181,0.08597932153025564,2.384737762642259,3.653897303954632E-13,1.0800875642139705E-47,6.157969016429704E-104,6.771610004233848E-182,1.4362243358211228E-281,0.0,0.0,0.0,0.0,0.0,4.839972736169384,7.821252430164401,5.679712143920461,17.0008716634845,4.634193395331396,0.09556497383757705,7.538618087076575,2.5981302124357173,14.401829360686989,0.373283586701225,1.363824511991135,7.714278677736945,1.9129938672396396,8.428206644264069,0.6816803510691114,1.6911825797777704,1.1431344881013312,3.254723278457374,0.20903289549840204,4.011946708388063,6.148417474902171E-13,1.81746466903991E-47,1.0362022016750361E-103,1.1394596459564557E-181,2.4167364514282022E-281,0.0,0.0,0.0,0.0,0.0,10.311476480530787,0.8159414675965422,0.49015489444444454,0.8875757974802716,0.07023338511866975,0.562560718778744,0.6632468984372549,0.5925824970236102,11.617572842571773,13.867719622415088,29.60924069266253,0.8313636962204074,1.818390114239609,10.860057925636657,0.3178950232229312,0.10243379538819473,0.9627380844167011,0.028181216693216275,0.6242481271225541,0.10015743398396468,0.025880261573829198,11.280386744247782,4.597358511694994,16.231383426460756,0.9441071266250516,0.7502858226803479,9.957084731490998,0.5268445160925123,0.26379649400330735,0.9264364360325511,0.04901916263586457,0.524556575536589,0.2765230565154637,0.1716406580384666,10.747725741586816,8.01145926594578,20.143018017135706,0.8896546540488266,0.9727202900905193,10.529937801504218,0.7957820912678546,0.47459808147430776,0.8923435643416808,0.06743734304487474,0.5866680043806906,0.6309964429670237,0.5555639908247137,11.800317974246381,13.754700857026489,29.53193050473376,0.8385153465125214,1.7732284381724281,9.742944567054394,0.6207886398885729,0.33727135017562326,0.910470088583705,0.05801218348940969,0.502242772521126,0.38330429883389616,0.2805698725067942,10.70100455711859,9.543699597857055,22.284625600988353,0.8657051328755575,1.1661169438618164,10.427671160978221,0.8494381849157167,0.5164376266926431,0.8841844769191781,0.07202567530278947,0.5753139361439851,0.7189231116975691,0.6578363773997494,11.79354697258658,14.681585650426193,31.04956259732806,0.826276715378767,1.9520734252413035,10.562967196177027,0.7975975102885098,0.4761214523733287,0.8923922670948989,0.06738351423577417,0.5903535451821827,0.6338817039386844,0.559136227332309,11.836686158838866,13.834004904753547,29.6820125557715,0.8385884006423485,1.7833714764531763 +UMLCN0051,L,octan-3-ol,CCCCCC(O)CC,Alcohols,,C8H18O,NREL (2014),IQT,PubChem,,25,0,-1.8480999999999996,3.4154736099999985,32.3179,26.884273999999973,0,0,27,9,18,0,8,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1428.370120999998,1423.9603239999994,1628.3219519999982,1514.4066949999967,1155.7521849999969,902.5716480000004,702.7667270000002,341.06402500000036,87.883488,4164.033390715742,5299.883923245412,6897.857108758354,6935.6786495306105,5885.068538357513,4641.827662879195,3541.778084631285,2397.916740165391,1154.675864687065,194.60819600000008,193.28840800000006,355.09646399999997,475.54890799999976,432.6558519999997,361.11367199999995,278.07338000000016,215.02493200000015,143.482752,30.957436287281972,40.32666125600001,57.130374929339055,60.60817824462109,52.784847490923084,42.82392198292307,32.46855440897998,23.31138494073498,13.350459432735006,4528.323870958982,3829.171408860451,7727.28512600699,11025.193693303223,10101.037338307175,8653.077413564224,6619.369302452881,5140.459991384086,3692.500066641135,75.02777777777777,59.083333333333336,94.08333333333334,126.16666666666669,112.91666666666667,84.58333333333334,72.0,56.0,27.0,52.902597074074,54.76770476923075,33.231060244897925,22.945555984848436,19.262536416666613,17.697483294117657,18.019659666666673,11.368800833333346,4.184928,154.22345891539786,203.84168935559276,140.77259405629295,105.08604014440319,98.08447563929188,91.01622868390578,90.81482268285346,79.93055800551302,54.98456498509834,7.207710962962966,7.434169538461541,7.246866612244897,7.205286484848481,7.210930866666661,7.080660235294117,7.130086666666671,7.167497733333338,6.832512,1.1465717143437768,1.5510254329230773,1.1659260189661032,0.9183057309791074,0.8797474581820514,0.8396847447631974,0.8325270361276919,0.7770461646911659,0.6357361634635718,167.71569892440675,147.27582341770966,157.69969644912226,167.04838929247308,168.35062230511957,169.66818457969066,169.72741801161234,171.34866637946953,175.8333365067207,2.77880658436214,2.2724358974358974,1.9200680272108845,1.911616161616162,1.8819444444444444,1.658496732026144,1.8461538461538463,1.8666666666666667,1.2857142857142858,0.2338930095160931,-0.1116921631966447,-0.0061773858141628704,0.007370271068877426,-0.024971275300578785,0.0165144681561299,0.01178911405597761,-0.02782736290877555,0.013265924886395594,800.2177742962954,-66.8777167297664,-207.16751753772263,-42.449709205761394,-163.92087647325116,49.45194792181047,5.584447275719981,-159.5578731810702,53.81495121399155,1266.518059790474,-76.37381503272283,-471.32863461096804,-79.57892211754118,-148.4062685882219,54.0549604560493,-15.031277141123564,-152.51956893043342,49.94166011383744,1.1226669629629635,-0.08191248285322171,-0.010208192043894667,-0.11647672427983469,-0.2685471769547317,0.005050551440328156,-0.02678413168724306,-0.20051069958847728,0.07308702880658251,5.603020215168077,-0.22897821585605527,-2.3748628047751197,-0.4346910908344399,-0.3055604531617593,0.11096217518011464,-0.17241213306996306,-0.3173542727831611,0.0991683555587135,30.804230646545797,-1.0779021461589438,-13.36081413016274,-2.554351645120832,-1.1403087543697294,0.3684823769295713,-1.1369754344526202,-1.1597609098676633,0.34903022143163565,24.779835390946488,-3.4844916933394305,-0.7115531169029111,-0.653177869227252,-5.970621856424328,-0.5779606767261096,1.3396204846822142,-4.125743026977589,0.6002514860539556,0.008662704056151596,-0.004295852430640181,-1.2606909824822184E-4,1.1167077377087008E-4,-4.1618792167631306E-4,3.238131011005863E-4,3.022849757942977E-4,-9.275787636258517E-4,6.317107088759807E-4,29.637695344307236,-2.5722198742217848,-4.227908521178013,-0.643177412208506,-2.7320146078875194,0.9696460376825583,0.1431909557876918,-5.31859577270234,2.562616724475788,46.90807628853607,-2.9374544243354936,-9.61895172675445,-1.2057412442051694,-2.4734378098036984,1.0599011854127314,-0.38541736259291187,-5.083985631014447,2.3781742911351165,0.041580257887517166,-0.0031504801097392964,-2.0833044987540137E-4,-0.001764798852724768,-0.004475786282578861,9.90304203985913E-5,-6.867726073652066E-4,-0.006683689986282576,0.0034803347050753573,0.2075192672284473,-0.008806854456002126,-0.048466587852553464,-0.006586228649006666,-0.005092674219362655,0.002175728925100287,-0.004420823924870847,-0.010578475759438703,0.004722302645653024,1.140897431353548,-0.041457774852267065,-0.2726696761257702,-0.038702297653345936,-0.019005145906162157,0.007225144645677869,-0.0291532162680159,-0.03865869699558878,0.016620486734839793,0.9177716811461663,-0.1340189112822858,-0.014521492181692063,-0.00989663438223109,-0.0995103642737388,-0.011332562288747247,0.03434924319697985,-0.13752476756591964,0.02858340409780741,-0.4959020189070862,-0.014553088438788017,0.01289098335196733,-0.04804364999411101,0.037380141235534736,0.03489499050583839,-0.10707727721197581,0.07292303936290974,-0.0867887952939584,-0.14265307987215353,-0.021701330172153435,-0.092180399864063,0.03271664771561958,0.004831379569977114,-0.17945375680919562,0.08646477719354827,-0.06262150692914649,-0.2050596078079893,-0.025704342185949802,-0.05272946591519433,0.02259528143710643,-0.008216439323202528,-0.10838188289245469,0.05069861054430667,-0.07576865247594108,-0.005010321254836286,-0.04244319161028049,-0.1076421001208494,0.0023816692206789147,-0.016516795283546885,-0.16074190795938018,0.08370161422496109,-0.04243873146635157,-0.2335522310764479,-0.031737913963218775,-0.024540729578407732,0.010484467077002247,-0.0213031974520428,-0.05097587275013555,0.022755972053691207,-0.036337863258296604,-0.2389957840489464,-0.03392267927839049,-0.01665806704781048,0.006332860822647342,-0.025552880974960956,-0.03388446317187736,0.014567906174634325,-0.1460264181554559,-0.015822554214744114,-0.010783329433167519,-0.1084260566304078,-0.012347910184583697,0.03742678479039856,-0.14984638379141396,0.03114435178704883,1.4438403123980532,0.7578204884584454,1.0232030354841504,1.2879180098230825,0.8896648392295056,0.9587524666138831,1.3456105360098956,0.39942353137447395,1.4363317410822996,1.2490702917146368,1.0038892801783672,1.0624804785768136,0.8423976961558939,0.8998752178845896,1.0862423240111863,0.561939214746542,1.5574440224823296,1.3995226489179131,0.9729369787899126,0.9630735323416874,0.8560954269792769,0.8825053742369825,0.9329426978536441,0.6602255129072009,1.0490555426087234,0.8187313268923729,1.1889972029326699,1.3527160325373357,0.796274765394081,1.0131161221651819,1.4066891774375343,0.0784631621897169,1.595649943121401,1.4542034371664303,0.9754237161253487,0.9277842479807402,0.8600862009588605,0.8852324450125536,0.8604384990020327,0.6671664923865926,1.5987558061546132,1.4612124178557926,0.9799766131560717,0.9235196227228485,0.8602933223578025,0.8883685762915355,0.845969845681334,0.6591846403484309,1.1288300257410953,0.8113172695799241,1.151249688615794,1.355268620775555,0.8040746149825873,0.9662874698995272,1.425217968944616,0.14989146036227335,49.73247254363241,24.99123627181619,39.217499813550596,49.92691698807683,5.547435220897426,24.991236271865944,0.24999999999997513,0.10316016421681934,0.011462240468535482,-2.044325255494508,37.169117564279055,4.129901951586562,3.2539304191422675,49.735636132887045,24.992450855992878,39.21885040835265,49.929509361074935,5.547723262341659,24.992450856042563,0.2492655790987115,0.10312209823490781,0.011458010914989757,-2.044657415746214,37.169638534785065,4.12995983719834,3.2539430336513075,52.6201017355783,26.11055362876012,40.480172965752935,52.3097726970887,5.812196966343189,26.110553628775275,-0.39899447805806076,0.0664879160800807,0.007387546231120078,-2.4396615548222798,37.913295789481595,4.2125884210535105,3.2717716766599323,49.738956616971976,24.993725708595463,39.22026806039226,49.93223035047559,5.548025594497289,24.993725708645076,0.24849480021895332,0.10308214070423238,0.011453571189359154,-2.04500621340666,37.170185897535895,4.130020655281766,3.2539562870179792,55.824676848824964,27.3711912922429,41.959835867673796,54.982892421005616,6.109210269000624,27.37119129224712,-1.0822942643391578,0.018739290353313842,0.002082143372590427,-3.5794195838175704,39.832819979753616,4.42586888663929,3.31622207557456,50.064972199195765,25.11905319253703,39.35983623983621,50.199632121545555,5.577736902393951,25.11905319258021,0.17313418587829332,0.09913976316359985,0.011015529240399983,-2.0801022077710605,37.22676144715342,4.136306827461492,3.255325106742128,54.634241258700854,27.606183129350455,44.15364017901351,55.08389403647868,6.120432670719852,27.606183129354392,0.5781250000000533,0.09338192458650518,0.010375769398500576,-2.1339517314484517,37.78017769994458,4.197797522216065,3.268606109046917,0,11.889999999999997,15.99491664015226,-0.3925034429538403,0.06518218548131573,4.8568190828294,7.406485262976635,8.0,26.0,26.0,26.0,8.0,0.0,0.0,0.0,0.0,0.0,19.677725999999996,3.5246832894146194,3.2680791751256373,2.857021370802592,2.5225861549457935,2.0780236220709556,1.688848576081426,1.540281777166622,1.187960682282023,1.9039958989640062,1.7430083272198693,1.5056879736243678,1.198372923448423,0.9339710222975939,0.7285487299597414,0.6113249651134132,0.5331903191277473,3.528874186621637,3.284245412682754,2.902725581192826,2.501921423881834,2.067392463521228,1.6563374472827261,1.5934601054356499,1.2973633898801618,1.8552445941963982,1.682178906723513,1.4179015360212595,1.1270249242815644,0.8414419743629534,0.6032164569487839,0.5612865068489141,0.38932179568548275,3.6643991325774072,3.445880656136108,3.104342770596013,2.787280525370338,2.4201994589926272,2.1105191279966546,2.0313411915111272,1.77539855233179,1.6703096129812876,1.4600808505525067,1.1426047473581769,0.7786253757823798,0.42193653960212646,0.11816021639062647,0.01928795451854512,0.1496808391123936,3.543705887143691,3.304503111922027,2.9366108019170785,2.527419686362433,2.102805176576419,1.7185678055149887,1.6057326205553402,1.3766975894483164,1.8255846060434184,1.643212993679734,1.3607892607529353,1.0860718618320828,0.7853191283146553,0.544206449893995,0.48202179022719793,0.2865600653004307,3.7166777961597646,3.513032999749593,3.1991577870224237,2.8785970510025525,2.538666802199376,2.2467072325139714,2.1973271661063647,1.9737321552009608,1.618858513160876,1.3957250581654796,1.0533162052262512,0.6814794552765634,0.2975629297605635,0.04565002395982546,0.11452421024720037,0.34228307672446445,4.402345664646781,3.4806172470394605,3.258724026089459,3.0375476008368634,2.497794887243011,2.1084821181381703,1.83191743680736,1.5359828319348028,1.7685914183968974,1.531402614947667,1.2273293996496872,0.8616956293237964,0.5556781372776803,0.33551716158776085,0.13823345222448358,0.01532093715947622,0,0,0,0,0,2,6,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.12909944487358055,0.0,0.0,0.0,0.49279927982674443,0.348461712529338,0.24639963991337221,0.22038653779110823,0.15583681535431795,0.11019326889555411,7.112884175122364,4.3080604124904465,3.0092019217677626,1.9974002407106257,0.946923425058676,0.5350747745081851,0.348461712529338,0.10206207261596577,0.7903204639024849,0.5385075515613058,0.3761502402209703,0.2853428915300894,0.1893846850117352,0.13376869362704627,0.116153904176446,0.10206207261596577,6.560097770622322,3.988909033047982,2.557853712510147,1.6121504463605856,0.8340863727442721,0.4552869296475689,0.2686738676687218,0.10206207261596577,0.7288997522913692,0.49861362913099777,0.3197317140637684,0.2303072066229408,0.16681727454885442,0.11382173241189222,0.08955795588957394,0.10206207261596577,13.591249338489726,26.321194464675887,24.878431372549027,25.239999999999995,15.667229940119753,208.66612215568864,0.5033796051292492,0.974859054247255,0.9214233841684825,0.9348148148148147,0.5802677755599909,7.7283748946551345,2.3376000000000015,40.4398,25.411910189540066,39.687612790548684,50.82382037908013,5.647091153231126,25.41191018957151,0.0897975787585345,0.009977508750948279,-2.169177539973587,37.381945530344915,4.153549503371657,3.2590690632303767,85,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,5.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5145918367346938,0.0,9.084549319727891,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5145918367346938,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2854081632653065,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.203312547241119,0.0,5.590332577475435,0.0,0.0,0.0,-0.04486111111111146,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.084549319727891,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5145918367346938,0.0,9.084549319727891,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5145918367346938,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22040816326530613,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.024417044595616,0.0,0.9064625850340136,0.0,0.0,0.0,-0.04486111111111146,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.084549319727891,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5145918367346938,0.0,9.084549319727891,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5145918367346938,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.178895502645503,0.0,1.2609722222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.084549319727891,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.833333333333336,2.092592592592593,0.5145918367346938,9.084549319727891,0.22040816326530613,-0.04486111111111146,4.4913053505291005,1.3781944444444447,3.0845493197278913,6.57572373393802,1.3781944444444447,3.0845493197278913,6.57572373393802,4.33333,0.48148,0.0,0.01852,0.46173,0.78519,0.42414,0.46173,0.73667,0.03759,0.0,-0.03759,0.04852,0.61321,0.10108,0.0,0.30769,0.11538,0.0,4.25,0.47222,4.25,0.47222,0.0,0.0,-4.25,-0.47222,0.0,0.0,8.99093,0.99899,9.9223,0.93137,0.10349,4.02648,0.44739,4.30805,0.28157,0.03129,0.10595,0.01177,0.10595,0.01177,0.0,8.01,1,1,1,1,1,1,1.0,1.086048612313038,1.6772390289896693,2.8019595038967817,3.5137847242254345,3.454168410357404,3.0972990761574146,29.323312532452025,45.28545378272107,75.6529066052131,94.87218755408674,93.26254707964992,83.62707505625019,0.22840679444442943,0.35274000241362746,0.5892798731035997,0.7389837767195683,0.7264458746470366,0.6513927142857,3.668838889850431,3.0776484731737996,1.9529279982666874,1.2411027779380346,1.300719091806065,1.6575884260060545,0.2310525562367053,0.356825984283227,0.5961058266703795,0.7475438331150536,0.7348606976122315,0.6589381551269675,9.449442116690685,14.275356761200204,19.321131894058368,20.0385271695145,18.349973990453098,17.17607695947836,33.38680559561979,26.63963891406243,20.863482072479197,18.85758982555203,21.641547148626426,23.716293073424204,9.0,6.125,5.877551020408164,9,0,8,2.23,1.294500000000001,0.14285714285714285,3.377018973687275,0.6324555320336759,0.0,4.832409737652294,2.6480596026220304,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.403,0.395,0.41000000000000003,0.19,4.388,8.0,7.0,5.0,4.0,3.0,1.0,0.0,0.0,0.0,45.0,2.1972245773362196,2.1972245773362196,2.0794415416798357,1.791759469228055,1.6094379124341003,1.3862943611198906,0.6931471805599453,0.0,0.0,0.0,3.828641396489095,1.0,0.42857142857142855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.625,8.0,1.0,0,4.0,7.0,0.75,1.5,0.666666666666667,0.25,0.16000000000000003,0.1111111111111111,0.04081632653061225,0.0,0.0,0.0,0.0,0.1875,0.08333333333333337,0.03571428571428571,0.03200000000000001,0.027777777777777776,0.01360544217687075,0.0,0.0,0.0,0.0,0.37993083900226765,25.411910189540066,39.687612790548684,50.82382037908013,5.647091153231126,25.41191018957151,0.0897975787585345,0.009977508750948279,-2.169177539973587,37.381945530344915,4.153549503371657,3.2590690632303767,20.23,155.71456240829454,4.169925001442312,3.4965075614664802,4.143134726391533,4.8283137373023015,5.501258210544727,6.19644412779452,6.876264611890766,7.575071699507561,8.25712628599743,8.957381735582787,72.83150269647811,2.833213344056216,0.0,3.8918202981106265,0.0,5.117993812416755,0.0,6.411818267709897,0.0,7.739359202689098,8.053251153549096,130.135765196,4.8198431554074075,16.65751855230301,1.8508353947003344,2.442494267826734,2.442494267826734,0.0,110.0,7.0,2.807,32.0,1.2279230769230767,2.1283676296064713,2.854129696392992,3.5453255031634185,4.748464541928838,5.792958654109473,7.010162688864869,7.998615311556868,9.473632882116036,0.0,78.91090557965381,79.2560982464026,75.89493410231496,85.85500986449357,99.8397320121809,122.34079392002471,90.05685438580939,36.999312318285625,9.625817320734349,0.0,276.45110807137223,320.9944609600332,326.775952141159,403.3820831634361,480.08071312887506,582.0202802794682,598.9726335417458,466.3924744518183,294.4759833401521,0.0,9.155826991230766,15.498975764282884,20.63882049376117,25.652388085665912,33.76179398624927,41.441553836534126,50.353539322398646,54.77752508626606,63.64826146771283,0.0,2.045513112012384,2.6040098448430866,2.773760289038006,3.48607772401127,4.289588973876913,5.187438853538148,5.712183306594116,5.297653053505065,4.212099435190614,0.0,178.40066502449514,332.27620696912584,473.5103867450641,584.431410611382,796.1615888554611,970.5205043388371,1191.6496083012769,1396.3159937334135,1751.841948700616,0.0,2.8428173076923073,4.238873970997528,5.59534742701834,6.83223456640617,8.14117674919639,11.047741826896477,13.342688649387977,10.601820141910125,9.473632882116036,0.0,0.4386051576923078,0.5746755157550507,0.6274168498235837,0.7836430674558886,0.9610228352313229,1.1767557277814096,1.3035328899483045,1.1772591925600313,0.970100007128682,0.0,430.21139967860677,317.35036371996847,16.041611293692238,167.83721496108274,-123.80704289434657,-18.014659173024125,262.37418471752403,441.15740661431505,34.05627046671636,0.7193585757870187,0.5306430881228019,0.02682325633904684,0.28064142421298094,-0.2070183591495106,-0.03012239930340368,257.2873315799926,189.79094537812878,9.593663410781044,100.37481389245934,-74.0426304856006,-10.773641961633256,0.2848436706065489,0.532063252105863,7.196113641385723,12.697843054359074,548.9199469363855,49.12866770330409,0.9178517155617807,0.08214828443821906,532.2508829243543,23.070563125427917,8.104112543152096,714.9614283786996,26.738762656089747,8.941853237589083,898.4839249115234,29.974721431758518,9.649469486478747,2.9889689950689067,2.9889689950689067,1083.3967907236947,1039.338442976703,87.32388477985728,1.0423907612046053,12.406649033708568,11.902109549945765,4.7210053659547455,5.6454556919422,10.065582814166165,0.7829531154646816,5.455646818004789,7.022401721933764,3.8746126621792945,26.09226324211659,12.71639451965809,0.863409569946305,5.672357859593316,10.820114199551341,13.118730084528694,1.4312557030449453,3.3430268504961704,11.327514888655191,4.644626433171135,5.03030068411191,2.706479734066882,1.0890564555359257,0.14277361679172715,0.6352252801801717,2.008139857612635,1.273792687859013E-8,2.405680934114316E-38,8.763008205713223E-90,6.15664787726622E-163,8.342790099354308E-258,0.0,0.0,0.0,0.0,0.0,0.0,0.4777596836320821,7.149147226600771,0.2930081759978049,7.293089751898435,0.4926723945310475,0.032024645537112886,0.6542757221806346,0.4645212555804731,4.331042868065197,0.07148079775579852,0.04622326339700342,1.6761659973365657,0.24809963747095826,1.996930250537319,0.11438401356157117,0.06078249529690903,0.002820634495492743,0.05329681364680284,0.014143493213294,8.97142605261346E-11,1.6943407520154841E-40,6.171858330270352E-92,4.336177439965565E-165,5.875895282036436E-260,0.0,0.0,0.0,0.0,0.0,0.0,1.4228174172279262,6.91293188469074,0.8757893058929277,8.418094273799458,1.293142936400893,0.0965177330977815,1.4817112044604974,1.7122209205063454,5.4482879954520955,0.22820476863475997,0.30164455612525676,2.6250923693694683,0.7563354726166744,2.6156292665392455,0.4435410956712769,0.21307395500086504,0.012173463934885933,0.17205733710979734,0.1473861039731093,9.34891764740767E-10,1.765633697958769E-39,6.431552232920199E-91,4.518631213482034E-164,6.123135917789497E-259,0.0,0.0,0.0,0.0,0.0,0.0,5.372643627584548,7.148922953034338,3.814779353787174,24.99139179787351,11.494693198421862,0.8527894628727757,5.327098162418654,10.049129163855572,12.753119644356707,1.3854761293903408,2.9934918154152066,10.879767351285272,4.558008073111566,4.845670560628655,2.4770596035294146,1.0057288719631203,0.12740832140013553,0.5995917289987726,1.7892164595016595,1.1349263521016357E-8,2.143418401517005E-38,7.807682546100146E-90,5.485462417172714E-163,7.433275778748874E-258,0.0,0.0,0.0,0.0,0.0,0.0,2.0300702673736843,6.8231859077156205,1.2661601282462431,9.845192431541971,2.3514324055278593,0.15238077531052227,2.1003827375606745,2.783346978153259,6.32092639150659,0.3513346878549105,0.6009555580682528,3.5760016475030243,1.1395938582524991,3.0401740492195053,0.7288648980100952,0.334720249776598,0.024299088135460837,0.25358968588892294,0.3201423125376352,2.0307098394507202E-9,3.835192327643233E-39,1.3970190876538346E-90,9.815070805133794E-164,1.3300269427442345E-258,0.0,0.0,0.0,0.0,0.0,0.0,6.769113831549365,7.102695687634781,4.994823283637076,34.717488119907344,18.228165663368454,1.2518804589302759,7.153740754092599,14.691297878692472,16.327545503336545,1.9669239719080052,4.80490805645264,14.758991427586665,6.389728651151,5.719001746513441,3.636232231878862,1.420717985689173,0.20738241097593774,0.7671697138539075,2.9286832541856724,1.857706922202059E-8,3.508459552727724E-38,1.2780023906738514E-89,8.978892317541687E-163,1.2167175291372618E-257,0.0,0.0,0.0,0.0,0.0,0.0,4.736317915373698,7.363634296844403,3.2055571966020797,19.549673964390255,6.057413031294001,0.7800075253344515,3.4372793885856727,6.00158997388203,10.787191002900895,1.100846024402221,1.4023352504376163,10.124262179850863,3.8549993054361824,4.582631814477726,1.29264167576392,0.6838107258173871,0.057614757595159966,0.49362813869020017,0.7803599649079964,4.9499381899598015E-9,9.348437969639707E-39,3.405291095625445E-90,2.392463604186435E-163,3.2419950057197372E-258,0.0,0.0,0.0,0.0,0.0,0.0,9.30065658960751,0.8123305643096196,0.5752359865475697,0.8701779956666529,0.07600239568672604,0.5425637996788542,0.5127403883074667,0.49021187069106004,10.688223140464698,13.372561758312267,28.406812205272775,0.8052669934999794,1.5455160586773808,7.857560357860038,0.518593860424586,0.1663749751441703,0.919816623384131,0.060707297415325906,0.3878372351880131,0.18110047938877913,0.03466929073771731,8.542529193428795,5.46846500937267,14.688952687353995,0.8797249350761965,0.6036070053145095,8.610487536724097,0.5754032031255991,0.33135799011384975,0.9047244409632108,0.06045898551689981,0.46506451345905525,0.25363691655648873,0.16069029514181415,9.517248729963546,7.998320402066115,19.157282992917224,0.8570866614448162,0.8793917251573582,9.196973502449065,0.8191564371356876,0.562166953963236,0.8694191130198441,0.07743745948701014,0.5305156507846571,0.5026369097151754,0.44853176484377216,10.57829689354799,13.164497305333834,27.978025136223685,0.8041286695297662,1.4816843253436047,8.911110071123103,0.6220105745583353,0.4041787389190298,0.896733581855487,0.06259352269513449,0.49814952648325445,0.315132023269725,0.2541004842056693,9.937299384600466,9.39588937582634,21.573472572244345,0.8451003727832304,1.0673820339586488,9.363373355824033,0.8469050803433537,0.6048038579326439,0.8657699591367927,0.07830777957236323,0.5498907534560327,0.5516977208117049,0.5355170265114456,10.81508229410003,14.105104252959487,29.71621368318262,0.798654938705189,1.637105500779183,9.234817549479354,0.8206539421569474,0.5636751889646228,0.8696383831244684,0.07728059201368029,0.5348833471213267,0.5040131339275904,0.45033709989769666,10.619146680600926,13.246609220256861,28.13761872825262,0.8044575746867025,1.4892335809466135 +UMLCN0052,L,linalool,CC(=CCCC(C)(C=C)O)C,Alcohols,Olefins,C10H18O,NREL (2014),IQT,PubChem,,16.5,0,2.469199999999999,6.096948639999995,49.75359999999999,30.404273999999972,0,0,29,11,18,0,10,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1716.898362999998,1712.4885659999993,2321.8960569999986,2103.400753999999,1544.2296749999962,1218.4066099999966,1296.4851589999976,677.8924339999996,151.55280000000002,5011.0671942143945,6146.91772674407,8270.041249784366,9094.337379426232,7900.304469581879,5968.6438958804465,4982.114775135084,4154.961869005769,2079.878496633093,209.6892280000001,208.36944000000005,356.9515479999999,461.43663200000003,549.3536519999999,435.1056799999997,298.50494000000003,256.1681360000001,272.73024000000015,36.53523628728201,45.90446125600001,63.96743829818804,74.07007493479199,70.962068628866,54.3198772608661,41.549671341829054,36.40069716569801,24.473830245469976,4781.912583138983,4082.760121040451,7621.926515545589,9730.145195011093,12841.96826737687,10475.273056356518,6967.64479776983,5409.470821514999,7078.755037856471,91.84027777777777,75.625,117.04166666666667,167.83333333333331,152.66666666666666,107.66666666666667,88.83333333333334,97.33333333333334,56.0,59.20339182758614,61.160305928571404,47.385633816326504,33.92581861290321,20.054930844155795,19.651719516128978,30.868694261904704,19.93801276470587,3.7888200000000003,172.79542049015154,219.53277595514535,168.77635203641563,146.6828609584876,102.60135674781661,96.26844993355559,118.62178036035914,122.20476085311084,51.996962415827326,7.230663034482762,7.441765714285716,7.284725469387753,7.442526322580646,7.134463012987012,7.017833548387093,7.107260476190477,7.534356941176474,6.818256000000003,1.2598357340442072,1.6394450448571434,1.3054579244528173,1.194678627980516,0.9215853068683897,0.8761270525946145,0.989277889091168,1.0706087401675886,0.6118457561367494,164.8935373496201,145.81286146573038,155.54952072542017,156.93782572598536,166.77880866723206,168.95601703800835,165.89630470880547,159.10208298573528,176.96887594641177,3.166906130268199,2.700892857142857,2.3886054421768708,2.7069892473118276,1.9826839826839826,1.7365591397849462,2.115079365079365,2.862745098039216,1.4,0.2561119529517878,-0.1301123973459634,0.052887413461847166,-0.06861527032452878,-0.01935862369723117,0.033896539968705626,0.057300074976225815,-0.10339010947274499,0.03169912566839729,896.4160178620681,-61.97448400475733,192.8662541640895,-722.6510344637353,-135.28597639238995,275.4009785707501,353.2487900273487,-841.9020310796678,269.0657067419753,1461.0162705958232,-58.32641266280154,117.54844374867584,-1070.0195160942308,-149.0781322144665,394.93368356643504,423.58014254626414,-1132.2254857701807,381.5459868482875,1.131541793103449,-0.08560090368608574,0.18699021165279542,-0.5201271438763327,-0.17249703686088091,0.148519476813314,0.23396416171224585,-0.63746637812128,0.18384166468489407,6.517919588417315,-0.12158431389187002,-0.17893801826599398,-4.131997255942782,-0.4255953314356228,1.4387901463222232,1.2264037512264105,-3.9405416501016,1.3994942463267974,35.849691529858646,-0.4493925429820851,-2.1494036985257776,-21.47399243860041,-1.9557930489005209,7.28181892692875,5.558157774594108,-19.646509699005335,7.1227573247010305,28.328544061302676,-6.602176641564277,6.688168846611173,-9.748621019949798,-5.013385189589119,2.9690513938433134,9.88912009512485,-16.643331351565603,1.533425815827721,0.008831446653509923,-0.004646871333784407,0.0010793349686091258,-0.0011066979084601418,-2.514106973666386E-4,5.467183865920263E-4,0.001364287499433948,-0.0030408855727277937,7.924781417099323E-4,30.91089716765752,-2.213374428741333,3.9360460033487654,-11.655661846189279,-1.7569607323687007,4.441951267270163,8.410685476841635,-24.761824443519643,6.726642668549383,50.37987139985597,-2.083086166528626,2.3989478316056294,-17.25837929184243,-1.9360796391489157,6.369898122039275,10.085241489196765,-33.300749581475905,9.538649671207187,0.03901868252080859,-0.003057175131645919,0.003816126768424396,-0.008389147481876335,-0.0022402212579335184,0.0023954754324728065,0.005570575278862996,-0.018749011121214118,0.004596041617122352,0.22475584787645914,-0.004342296924709644,-0.003651796291142734,-0.06664511703133519,-0.00552721209656653,0.023206292682616505,0.029200089314914537,-0.11589828382651765,0.03498735615816993,1.2361962596502982,-0.01604973367793161,-0.04386538160256689,-0.3463547167516195,-0.02539990972598079,0.11744869236981854,0.13233708987128828,-0.5778385205589804,0.17806893311752575,0.9768463469414715,-0.2357920229130099,0.13649324176757496,-0.1572358229024161,-0.06510889856609245,0.04788792570715022,0.23545524036011548,-0.48950974563428246,0.03833564539569302,-0.5261732891674751,0.12221496782524986,-0.12531332089520142,-0.028467668687860926,0.06190586979028418,0.15448063640759613,-0.3443247399925402,0.08973367250030027,-0.07160498825822552,0.12733522362680247,-0.3770729067800967,-0.056839525648159826,0.14370179044553372,0.2720945118876021,-0.8010710368325468,0.21761395769474973,-0.041347588007828485,0.0476171884712768,-0.34256497311924006,-0.038429626462969706,0.12643736367412572,0.20018394666298409,-0.6609931438128107,0.1893345379050423,-0.07835157248109373,0.0978025530818285,-0.215003350700076,-0.057414067139217546,0.061393037327575166,0.14276687266137753,-0.48051369010768896,0.11779079456799423,-0.019320062039482333,-0.01624783659978452,-0.2965222825613321,-0.02459207245902076,0.10325111849980534,0.12991915267523924,-0.5156630402347667,0.15566827955195775,-0.01298315987662982,-0.0354841565488766,-0.2801777744009662,-0.02054682622415154,0.0950081279189787,0.10705184459037637,-0.46743267183355053,0.14404584363319367,-0.24138087187537752,0.13972846619628404,-0.1609626973522756,-0.06665213906972157,0.04902298693861979,0.2410361067503925,-0.5011123265874401,0.039244294167371165,1.479749007450157,0.7172798678954808,1.5403858164781943,1.0179363932454997,0.6150175228907749,0.6262666729540315,2.1135548781264912,0.47001352680932146,1.2821928279921202,0.9413029502731962,1.5065326444705311,0.9713300035566295,0.7010405346731645,0.6420874458558569,1.9540397420949107,0.472694622872301,1.3501088395012635,1.076824606278416,1.410219404437,0.9423471614922203,0.748904276342496,0.7348038490038546,1.663877688733298,0.5393136016999618,1.0408276629092452,0.7682503941698896,1.8593072600504457,0.9793157743060207,0.4889819247006663,0.5835554085212344,2.6696389107422283,0.07335654812390234,1.3716737014566223,1.157882817320855,1.380930412437485,0.9214352524179874,0.7589315752719944,0.7976363099867179,1.5328517809318207,0.54043087662989,1.3737480156355797,1.1785943986802834,1.3785521165757355,0.9154471001150948,0.7581401011848248,0.8150209390251858,1.5070397584893496,0.5337338647289309,1.2413863060016912,0.6954256732278712,1.695661385760642,1.008459233074618,0.5350524909333844,0.4986136939983094,2.542067525234947,0.34594082840236695,59.898009441623046,30.074004720811544,46.88272119507051,60.10255489616854,5.4638686269244126,30.074004720811917,0.25000000000004263,0.08499827959271211,0.007727116326610192,-2.7116366890606334,45.78148048201305,4.161952771092095,4.206267618363983,59.90128384075807,30.075274709928372,46.88412566775251,60.10522840547516,5.464111673225015,30.075274709928745,0.24926557909867597,0.08495877211744252,0.0077235247379493195,-2.7121480914783858,45.78196061476037,4.16199641952367,4.206279154540774,62.91030920885312,31.255657365397532,48.20327413226414,62.58385918135107,5.689441743759188,31.255657365397642,-0.39899447805805366,0.04733944011287261,0.004303585464806601,-3.355452652091931,46.412223879070524,4.219293079915502,4.221319157226728,59.9047206979199,30.076607749069414,46.88559989709958,60.10803462537176,5.464366784124705,30.076607749069787,0.248494800218932,0.08491730228126987,0.007719754752842715,-2.7126851514599934,45.78246497415073,4.162042270377339,4.2062912726822,66.29781743890874,32.6077615872848,49.75829709416336,65.41230394990399,5.946573086354908,32.60776158728483,-1.082294264339147,3.0950100558246874E-4,2.8136455052951703E-5,-8.888604138469084,47.81004977219696,4.346368161108814,4.253959450046933,60.242495380035365,30.207814782956824,47.03085679138851,60.38415062302669,5.489468238456971,30.207814782957147,0.17313418587828622,0.08082990726829814,0.007348173388027104,-2.7669490667287295,45.83409374956277,4.166735795414797,4.207531041120484,81.91682632753766,41.035635385991036,66.14127953556483,82.04318996390127,7.458471814900116,41.035635385991036,0.1544444444444082,0.02667460441525199,0.002424964037750181,-3.986447642867825,49.25865335903076,4.4780593962755235,4.286793560396181,0,11.790000000000003,15.994917156595625,-0.38549406462175184,0.1307897207075578,5.575851376435558,8.953694551313617,10.0,28.0,26.0,26.0,8.0,2.0,2.0,0.0,0.0,2.0,19.677725999999996,3.6341001005189835,3.4405452415497786,2.8911236174165476,2.648133802045936,2.3335527931030486,2.1509281783553744,1.9668793637907465,1.3916988411745672,1.9142124507928793,1.7593759467154835,1.4519811716430644,1.3370156755898,1.2496297225843565,0.9422240801557807,0.6284595672506016,0.5339560198269853,3.6332733028939983,3.443361837539155,2.9274298427780483,2.6734896129719337,2.405454587841289,2.161433290255211,1.8142985163255285,1.4434014527679921,1.8781760022347291,1.7162868238206312,1.3707668019122268,1.2428644199199463,1.1345406859483511,0.8547109349603021,0.6504148746333226,0.4090223682623155,3.7335070945190534,3.5504014176022602,3.094584476079553,2.9039755758599135,2.7042369872335184,2.4713844479803218,2.272391512207162,1.866898557789183,1.7339487077527629,1.5537754933042396,1.1279023131275765,0.93451381977156,0.760318560430899,0.48249865132437775,0.13000037385615076,0.08903837394727704,3.6426805312774926,3.4534707051185336,2.9549935106779905,2.705934132032998,2.4575399160416933,2.2028346296657895,1.7959217158822303,1.491852266500666,1.8568228946811343,1.68918326033054,1.3185906942942298,1.1832081860977766,1.0582626705327127,0.812161286191309,0.6376893661085703,0.3176679876668156,3.771185962256855,3.5940259038191154,3.1762799776266606,3.003336844212265,2.83898208514965,2.5786196985917593,2.355280457855734,2.036154863367875,1.6971162258786292,1.5128181280597768,1.051843140344572,0.8377960097382572,0.6313372621875638,0.3677067928336969,0.03995270659988211,0.25126345209567147,4.016585051472892,3.5383145549819677,3.374517260814086,2.947096451398031,2.7034951964200555,2.545054156416267,2.1976971468932813,1.6239493278986752,1.8749279938525671,1.6344889559872269,1.2540120761780995,1.0082371344527623,0.9591510727158293,0.7005457754869975,0.2758481173730154,0.10468246354473498,0,0,1,2,1,3,2,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6153550716504106,0.25,0.0,0.0,0.8712997006262717,0.09128709291752768,0.0,0.0,1.7457819157813603,1.411230926418479,0.723461712529338,0.8249892164928422,0.6062934866408367,0.28728988990487525,8.905777393935816,4.9771623912162095,4.803842328271808,2.5921345862013787,1.1656404489697394,0.6054170741125664,0.6247546414099728,0.14433756729740646,0.8096161267214378,0.49771623912162094,0.36952633294398524,0.2592134586201379,0.1665200641385342,0.10090284568542773,0.08925066305856755,0.07216878364870323,7.723234477438853,3.9710070384606055,3.381446490300299,1.6428131966779378,0.755126613927012,0.3493734439300505,0.3216834056169695,0.05892556509887897,0.7021122252217139,0.39710070384606055,0.2601112684846384,0.16428131966779377,0.1078752305610017,0.05822890732167508,0.045954772230995644,0.029462782549439483,15.591249338489726,28.321194464675887,26.878431372549027,27.23999999999999,17.66722994011976,222.15151137724553,0.5376292875341285,0.9765929125750306,0.9268424611223802,0.9393103448275859,0.6092148255213711,7.660396944042949,2.522180000000002,48.94580000000002,33.84978194829537,52.277444011281766,67.69956389659075,6.154505808780977,33.84978194829538,0.10951358686138035,0.00995578062376185,-2.4328773221468487,48.88855789365127,4.444414353968297,4.278497717115639,109,1.0,0.0,1.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,2.0,0.0,0.0,3.0,3.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,1.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.44341978458049874,0.0,9.488774565381709,8.567708333333332,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.44341978458049874,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.42003472222222227,0.6979903628117914,0.0,0.0,1.1477777777777778,1.0177912414965986,0.0,1.1180250850340137,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.892938397581254,3.5594331065759635,1.669675925925926,0.0,3.7121064814814817,0.0,0.0,0.0,0.0,1.2961687452758883,0.0,0.0,-0.7024305555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.488774565381709,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.44341978458049874,0.0,9.488774565381709,1.2961687452758883,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.44341978458049874,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.42003472222222227,0.30854166666666666,0.0,0.0,0.37145833333333333,0.3196942318594104,0.0,0.30854166666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7766203703703705,3.5594331065759635,0.7516666666666667,0.0,1.5891203703703705,0.0,0.0,0.0,0.0,1.2961687452758883,0.0,0.0,-0.7024305555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.488774565381709,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.44341978458049874,0.0,9.488774565381709,3.5594331065759635,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.44341978458049874,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.42003472222222227,0.3894486961451248,0.0,0.0,0.3979166666666667,0.37840277777777775,0.0,0.42003472222222227,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.058159013605442,3.5594331065759635,0.9180092592592592,0.0,2.122986111111111,0.0,0.0,0.0,0.0,1.2961687452758883,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.488774565381709,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.916666666666668,2.265151515151515,0.44341978458049874,9.488774565381709,0.0854861111111111,-0.7024305555555554,5.166967447562358,1.9524305555555554,3.488774565381709,8.575023620559335,1.9524305555555554,3.488774565381709,8.575023620559335,5.33333,0.48485,0.0,0.01515,0.47816,0.7697,0.42571,0.45657,0.73056,0.05245,0.0216,-0.03085,0.03914,0.62992,0.08437,0.0,0.4375,0.09375,0.09375,7.25,0.65909,5.25,0.47727,2.0,0.18182,-3.25,-0.29545,0.0,0.0,10.54098,0.95827,14.51452,3.97354,0.36123,3.61496,0.32863,4.97715,1.36219,0.12384,0.43685,0.03971,0.43685,0.03971,0.0,10.01,1,1,1,1,1,1,0.6,1.1242592373746325,2.7853700869953593,3.8143719431796272,3.883337460421007,3.883337460421007,3.8143719431796272,32.60351788386434,80.77573252286543,110.61678635220919,112.6167863522092,112.6167863522092,110.61678635220919,0.23142520287795176,0.5733596096380394,0.7851763823294784,0.799372715602612,0.799372715602612,0.7851763823294784,3.7337217577529405,2.0726109081322135,1.0436090519479455,0.9746435347065656,0.9746435347065656,1.0436090519479455,0.2291184642226998,0.5676446280437065,0.7773501097809977,0.7914049406148258,0.7914049406148258,0.7773501097809977,9.465905525546166,22.215305952760996,24.01044081367383,24.07994598829452,24.079945988294522,23.252359781397967,40.80778379514381,22.246358768262777,18.707240992264246,18.510138854669243,18.510138854669243,19.692751680239272,11.0,4.792899408284024,6.4,11,2,8,2.45,1.4903,1.2804902574870265,5.225316977035589,1.7091480255849363,1.5042412372345573,3.1473451902649443,1.7091480255849363,2.5557724169850897,0.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.47700000000000004,0.47000000000000003,0.48600000000000004,0.455,5.011999999999999,13.0,10.0,7.0,6.0,7.0,2.0,0.0,0.0,0.0,66.0,2.5649493574615367,2.8903717578961645,2.833213344056216,2.4849066497880004,2.5649493574615367,2.833213344056216,2.1972245773362196,0.0,0.0,0.0,4.6443908991413725,1.5606060606060606,0.42857142857142855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.4,8.0,0.8,0,4.0,7.0,0.75,4.0,1.333333333333334,0.5,0.2400000000000001,0.33333333333333326,0.08163265306122448,0.0,0.0,0.0,0.0,0.4,0.10256410256410262,0.05,0.0342857142857143,0.055555555555555546,0.011661807580174927,0.0,0.0,0.0,0.0,0.6540671799855474,33.84978194829537,52.277444011281766,67.69956389659075,6.154505808780977,33.84978194829538,0.10951358686138035,0.00995578062376185,-2.4328773221468487,48.88855789365127,4.444414353968297,4.278497717115639,20.23,185.03361425842792,4.459431618637298,3.8501476017100584,4.532599493153256,5.342334251964811,6.052089168924417,6.8679744089702925,7.585281078639126,8.404919948933452,9.125326997649227,9.947360886980098,82.70803383692474,3.044522437723423,0.0,4.290459441148391,0.0,5.6937321388027,0.0,7.155396301896734,0.0,8.644882552557126,8.903815211722922,154.135765196,5.315026386068966,20.254935361199266,1.841357760109024,2.4000114413112605,2.4000114413112605,0.0,180.0,10.0,2.468,46.0,1.2245499739954586,2.146367935154244,3.017677975877817,3.6507463789381074,4.349915881016239,5.402097384395032,6.403135993869942,6.5569473333409505,5.6923645743736815,0.0,86.98581357103114,115.63352495926634,112.7118562678548,85.47258117830451,104.00110833015384,190.40992749369812,122.45884148603497,22.390331552203513,5.783806718896421,0.0,295.7347503823444,396.68184937273804,464.42190578167464,404.2344997943604,467.5519895101308,692.1244699665709,766.8946701601412,322.44164955847344,176.94000563751266,0.0,9.147804153830265,15.747424922659837,22.489434993158497,26.22935207661844,30.762648714646613,38.738956986804645,48.63154375191876,44.618670153170775,38.2439464678049,0.0,2.1512865662683485,2.996858441498559,3.7229870682876105,3.5236761910762553,4.095784458574936,5.613506771525995,6.7178530865586445,3.863907323455231,2.530898748871824,0.0,176.11820637034893,328.91761742261934,470.5647975660189,604.7924170036522,726.0979111571622,887.0755378924008,1023.3945174813998,1167.4070340372673,1052.6186915591948,0.0,3.382580445645012,5.446167627031475,8.386909646870865,7.674846099191597,8.061294148550575,12.437384024989791,18.87480960124722,8.846696895802884,5.6923645743736815,0.0,0.4582206744681742,0.656775715359944,0.8345195730077682,0.787882466807426,0.9066736987722072,1.2631546202300947,1.5531690459344558,0.8665603824160357,0.582898132415865,0.0,345.1703191416458,304.1595559083323,15.135741309003794,125.58910968053068,-110.66747547223916,-16.94237370685298,219.58120946111512,414.8270313805715,32.078115015856774,0.7332201927537592,0.6461040125512277,0.032151753915737574,0.26677980724624084,-0.23508286546511728,-0.03598945165950728,162.49218228548955,143.18597881021336,7.125292933426848,59.122257539492296,-52.09775754250353,-7.975782169129969,0.23939538011598105,0.4374415935605494,4.4379777373101605,10.888152104983828,427.330624665112,43.428804157064484,0.9077473514110556,0.09225264858894451,690.9839403249316,26.28657338499888,8.84075423840422,878.7776626311924,29.64418429694419,9.578400740382634,1277.4090678406785,35.740859920274424,10.850339609637054,1.7895214654615883,1.7895214654615883,1141.1384767117208,1037.0479370869546,250.09440380195952,1.1003719653665716,4.562830912503529,4.14662591933946,5.212447729086793,4.606731624481721,8.47247788843382,0.8391516109617115,8.145136300602374,7.389960753535606,5.185139652433995,19.256290594226886,8.960725085728505,12.179838851996346,12.139689033458804,12.697305949351886,13.995557320488649,8.363695898851766,7.016916372303676,4.08378716959744,4.585449877860899,9.22795845046759,1.908618851440323,1.0974634917506438,8.21244264179973E-13,1.4031859110653548E-46,4.624181364524404E-102,2.9392085868190626E-179,3.6033119431661004E-278,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7094399145792782,7.589071831694057,0.3753520436336845,9.56869086388544,2.7423350045606587,0.9274391229997552,1.3578461682041438,3.662512888962354,4.707536353918048,1.0221433489298717,0.37234723590466845,1.1215335541191689,0.2976119526091149,1.0828142875284674,0.015086978442041288,0.010099420264723342,5.7840906177757495E-15,9.882753103529533E-49,3.256848744785354E-104,2.0701086402195072E-181,2.5378420641547603E-280,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.134919496507686,7.2002504596713255,1.2510792853640893,10.277642806293334,3.447384758017382,2.8046569743452596,3.0031561613999687,4.834480153512625,5.442155241070916,1.8945661689589077,1.113491981637737,1.4170624256497961,1.0141319932846664,1.7189928815070439,0.14429337166280903,0.08326842157819649,6.027468271996642E-14,1.0298590698147163E-47,3.393887496424443E-103,2.157212809323826E-180,2.6446270995009007E-279,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.978061417921487,7.5974892103233245,4.853171217101005,19.084792558875556,8.380432288868402,11.43872859924312,11.82134403574029,12.239013339037887,13.744998144040258,7.6927421053979055,6.688635764906405,3.8774193445758938,4.26687435709046,9.137342188362839,1.7017034608856314,0.9860797323544487,7.317138544822528E-13,1.2502133844420976E-46,4.1200623441456906E-102,2.6187819346891842E-179,3.210486068981419E-278,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.059540955366879,7.05312904373272,1.8837279677505672,11.045270747972758,4.098916701167177,4.205965754571882,4.161664655376395,5.754263546683654,6.244842217253998,2.6793723691623668,1.7361066212715774,1.7160663372904907,1.553109401272076,2.3400364152942617,0.3093805229640543,0.175691572345009,1.3092466491712884E-13,2.236991516232055E-47,7.371977155974785E-103,4.685754482924262E-180,5.744483452716751E-279,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.071144220598248,7.526911031857991,6.456871455796561,23.20954814466441,11.33596684536618,15.409839805830712,15.669943918128522,15.981369745550088,17.569849764150376,11.099442870016189,9.620128725128232,5.174736314063901,5.8290307579331495,12.64636814512712,2.7782082600904485,1.6005949383391218,1.1977075774811615E-12,2.0464147776698725E-46,6.743933932320982E-102,4.286559492429629E-179,5.255091824183808E-278,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.642949942667974,6.555474657968665,2.4451058597923696,15.690727850148422,4.991945502809041,6.39446790841073,7.174495504567964,8.89501255280779,11.400676160609235,3.945312014496953,3.4198631851843686,2.872743284750314,2.6752978802506444,6.973334989587793,0.5394398225949348,0.33830470853965794,2.2950023256513727E-13,3.9212631953542888E-47,1.292247310236011E-102,8.2137444255069E-180,1.0069609730751974E-278,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.808759777526497,1.7986541258699869,0.9562122356284858,0.71194332343701,0.1880724005438133,0.5752824203613328,0.47311401221487687,0.4145188511737671,9.56362613902497,20.47711835745211,41.75109695795118,0.5679149851555149,1.4629152837499766,6.347689085439193,1.1575840388329053,0.48449171088209175,0.794477586813316,0.1448833679984732,0.5045418819645624,0.1943572033651389,0.09896322157297108,7.989764835154191,10.984226185394224,22.534028151319287,0.6917163802199742,0.7978623069026723,6.327132315731795,1.3817674806307747,0.6759498735792455,0.7545910260518363,0.16479335170243586,0.49733998546370395,0.27554257125131587,0.20397870414931146,8.384849669941815,13.953455522312634,28.247881915080903,0.6318865390777545,0.9768612608643312,6.850001600981402,1.7797410643929272,0.9358983850417442,0.7161048135590923,0.18605559784365044,0.5830427553416674,0.4645978732016231,0.39395149626602577,9.565641050416074,20.267791364273567,41.243184078886216,0.5741572203386385,1.4415921248093162,6.380878556966204,1.4945069614790312,0.7638919107549427,0.7385893796394665,0.17298981005375497,0.5050643322451209,0.32104715426710906,0.2649829869917855,8.639277429200177,15.552210715355201,31.476165688344917,0.6078840694591997,1.0910944735040156,6.893410826029539,1.8543678225495877,0.9909417733571481,0.7078353754259408,0.19041185517274536,0.5899003100433532,0.5042607663703225,0.4445579089262631,9.738720421936275,21.451458510362947,43.85730757622051,0.5617530631389112,1.5387189853399388,6.844071818047055,1.7887173557049925,0.9389352718561156,0.7150301763218175,0.18687514103330857,0.5817819499885631,0.4679158702139993,0.39761897589556994,9.571724445608162,20.347740294365597,41.41401366282297,0.5725452644827262,1.4473167960981324 +UMLCN0053,L,hexadecan-1-ol,CCCCCCCCCCCCCCCCO,Alcohols,,C16H34O,NREL (2014),Other Ignition Delay Method,PubChem,,68,0,-4.429400000000001,19.619584360000008,53.9379,51.63296199999996,0,0,51,17,34,0,16,0,1,0,0,0.0,0.0,0.0,0.0,0.0,2598.7401129999967,2771.786700000001,3013.0442750000025,2867.0907459999976,2670.334016999997,2473.5772879999963,2276.8205589999966,2080.0638299999946,1883.3071009999949,8049.508515605255,10523.804999168351,14069.171002546293,14616.559879137707,13609.761534182577,12602.963189227446,11596.164844272318,10589.366499317184,9582.568154362052,362.4277479999999,367.49464800000015,696.7689800000012,969.8072800000032,906.9223800000028,844.0374800000023,781.1525800000018,718.2676800000012,655.3827800000007,60.382442764866056,80.45457021599996,118.4962554792818,131.7053718623357,122.68384300293964,113.66231414354367,104.64078528414771,95.61925642475177,86.59772756535583,8501.361152066967,7293.487020986853,15120.948561703573,22887.876007877367,21408.92085283879,19929.96569780021,18451.010542761633,16972.05538772305,15493.10023268446,107.75,100.5,165.25,203.0,190.75,178.5,166.25,154.0,141.75,50.95568849019601,55.43573400000002,31.062312113402086,20.776019898550707,20.700263697674394,20.613144066666635,20.511896927927896,20.39278264705877,20.250613989247256,157.83350030598538,210.47609998336702,145.04300002625044,105.91710057346164,105.50202739676416,105.02469324356206,104.46995355200286,103.81731862075671,103.03836725120486,7.106426431372547,7.349892960000003,7.183185360824755,7.027588985507269,7.03040604651165,7.033645666666686,7.037410630630647,7.041840000000011,7.047126666666674,1.1839694659777658,1.6090914043199993,1.2216108812297093,0.9543867526256211,0.9510375426584469,0.9471859511961972,0.9427097773346641,0.9374436904387429,0.9311583609178046,166.69335592288172,145.86974041973707,155.8860676464286,165.85417397012586,165.96062676619218,166.08304748166842,166.22532020505975,166.39269987963772,166.592475620263,2.1127450980392157,2.01,1.7036082474226804,1.4710144927536233,1.4786821705426356,1.4875,1.4977477477477477,1.5098039215686274,1.5241935483870968,0.2724057253320342,-0.1004999904547209,-0.055242973906543834,0.015331400039786131,0.0013317092120782217,4.771070849962124E-5,7.193928023493945E-7,4.366317420470556E-9,-1.7009713082494216E-11,1446.1803520392161,-67.60454176393887,-698.1695072118428,3.3498464036920907,3.294814763553582,3.239783123414959,3.1847514832764503,3.1297198431379414,3.0746882029994325,2467.7980107615244,-73.69286977475372,-1200.7981110093324,-7.1056788003969515,-7.2248783663557035,-7.344077932314683,-7.463277498273207,-7.582477064231732,-7.701676630190484,1.2635220392156845,-0.06997831295655349,-0.22993266282198957,0.006212521337946285,0.003359704728949667,5.068881199530254E-4,-0.002345928489043454,-0.005198745098039839,-0.008051561707036244,10.983747974014138,-0.19486672978138048,-5.106624483187998,-0.07264176466897404,-0.07524876812918241,-0.07785577158938989,-0.08046277504959826,-0.0830697785098084,-0.08567678197001677,60.05798694681406,-0.847414733240272,-27.320687255228165,-0.46443180861992495,-0.4836670510507054,-0.5029022934814867,-0.5221375359122681,-0.5413727783430494,-0.5606080207738308,26.176470588235354,-1.6435986159169542,-3.365051903114191,0.05190311418684561,-0.03460207612457347,-0.12110726643599067,-0.2076124567474083,-0.29411764705882587,-0.38062283737024405,0.005341288732000671,-0.002009999809094418,-5.69515194912823E-4,1.1109710173758066E-4,1.0323327225412571E-5,3.9758923749684363E-7,6.481016237381933E-9,4.2807033534025055E-11,-1.829001406719808E-13,28.356477490965023,-1.3520908352787773,-7.1976237856891006,0.0242742493021166,0.025541199717469626,0.02699819269512466,0.028691454804292346,0.030683527873901387,0.03306116347311218,48.38819628944166,-1.4738573954950744,-12.379361969168375,-0.05149042608983298,-0.05600680904151708,-0.06120064943595569,-0.06723673421867754,-0.07433801043364444,-0.08281372720634929,0.02477494194540558,-0.0013995662591310698,-0.002370439822907109,4.501827056482815E-5,2.604422270503618E-5,4.224067666275212E-6,-2.113449089228337E-5,-5.096808919646901E-5,-8.657593233372306E-5,0.21536760733361054,-0.0038973345956276094,-0.05264561322874225,-5.263895990505365E-4,-5.833237839471504E-4,-6.487980965782491E-4,-7.24889865311696E-4,-8.144095932334157E-4,-9.212557201077072E-4,1.1776075871924325,-0.01694829466480544,-0.28165656964152747,-0.0033654478885501806,-0.003749356984889189,-0.004190852445679056,-0.004703941764975388,-0.00530757625826519,-0.006028043234127213,0.5132641291810853,-0.032871972318339084,-0.034691256733135986,3.761095230930841E-4,-2.6823314825250754E-4,-0.0010092272202999223,-0.0018703824932198947,-0.0028835063437139792,-0.004092718681400474,-0.37631364076091395,-0.10662505314508647,0.020799680996830768,0.0019327409064339783,7.443694910458806E-5,1.2133806207765813E-6,8.014364263358395E-9,-3.424269869108395E-11,-0.047681903921584834,-0.2538264418767252,8.560389529993946E-4,9.007183535263714E-4,9.520996641323613E-4,0.0010118130791609801,0.0010820641556652378,0.0011659122147187064,-0.03045902737682064,-0.2558343339586221,-0.0010641112923869872,-0.0011574477524746631,-0.0012647846815755297,-0.0013895275991791544,-0.0015362839728304781,-0.0017114448058982374,-0.05649120236952217,-0.09567892542919554,0.0018170888417834063,0.001051232441328323,1.7049758080496936E-4,-8.530591489923828E-4,-0.0020572435369892303,-0.0034944958710499924,-0.018096196748801353,-0.2444453642798413,-0.0024441447140894504,-0.00270850287640316,-0.003012514763063892,-0.0033658258745885637,-0.00378148600579414,-0.004277596484974901,-0.01439214119298632,-0.23917693186151495,-0.0028578687205759604,-0.0031838763826480916,-0.0035587851940310487,-0.0039944900288815125,-0.0045070839522349995,-0.005118889602689161,-0.06404494382022455,-0.06758948221939064,7.327796775768612E-4,-5.226025607526371E-4,-0.0019662921348315297,-0.003644093531734034,-0.0056179775280899204,-0.007973903588256635,1.3982988374927248,0.9035063989034429,0.635132770172761,0.6791323316014368,0.7125388270813664,0.7493420684110625,0.7925567287446971,0.8441341105910163,1.4644828067354148,1.4206382964998732,0.9379020468686748,0.9384422494206711,0.9390634823554667,0.9397854557661751,0.9406348362493615,0.9416486129550999,1.5291163509512318,1.4787634047711038,0.9733148358027498,0.9705026699128829,0.9672686791395361,0.9635102574299708,0.9590885848304821,0.9538111046310925,1.0822668363179782,0.928215402783725,0.6388399891292382,0.6688600227104531,0.7033830613288502,0.7435044305340144,0.7907060413636192,0.8470434478376636,1.5469995493918032,1.4827035529668193,0.9757927191463867,0.9728414406714826,0.9694474704253428,0.9655031266257751,0.9608627221556953,0.955324174884955,1.5482327802666298,1.4784180081751224,0.9732161084416417,0.9705511561000485,0.967486460907216,0.963924788115546,0.9597345848312282,0.9547333744596233,1.069662921348312,0.8615197497972874,0.5986402865982725,0.6330023517115219,0.6725187265917587,0.7184431622633852,0.7724719101123577,0.8369578349643572,198.60874266827187,99.42937133413587,158.0742721166406,198.82933090356588,11.695842994327403,99.42937133413587,0.24999999999984368,0.009693095634559834,5.701820961505785E-4,-7.88178044318444,294.42866548811196,17.319333264006588,9.664562477209683,198.61281905057416,99.4310423148363,158.07618967838948,198.83275926742567,11.696044662789749,99.4310423148363,0.2492655790984486,0.009664895464062073,5.685232625918866E-4,-7.886733469923082,294.75168770112236,17.338334570654258,9.666426550966271,202.2724711776499,100.93673834979587,159.81169389420046,201.92041722642213,11.877671601554242,100.93673834979587,-0.39899447805812827,0.015875993694873636,9.338819820513903E-4,-7.043010140056481,246.25647229633037,14.48567484096061,9.36083505734424,198.6170974120055,99.43279610611226,158.07820229011503,198.83635752984583,11.696256325285049,99.43279610611226,0.24849480021902082,0.00963529751123382,5.667822065431659E-4,-7.8919475690066765,295.0922453863424,17.3583673756672,9.668389606265238,206.25435160340095,102.58602866953083,161.73171747094543,205.2993860760428,12.07643447506134,102.58602866953083,-1.0822942643392963,0.044327322474705166,0.002607489557335598,-5.297461854226709,177.52925674926547,10.442897455839145,8.80453021755208,199.03626454877866,99.60469936732845,158.2755711476172,199.18903000690653,11.717001765112151,99.60469936732845,0.17313418587822582,0.006732922306118938,3.96054253301114E-4,-8.50126821487845,338.71351946740015,19.92432467455295,9.902762947135525,203.1796979903733,101.82520565168426,162.69963311903487,203.68950191194182,11.981735406584814,101.82520565168426,0.6666666666665577,0.018846397744351207,0.0011086116320206591,-6.751436923557665,231.81687438701607,13.636286728648004,9.258111133246386,0,11.996177893951009,15.997945149932786,-0.4217306857881977,0.06982030296123411,3.9456318524682725,7.617089758831825,16.0,50.0,50.0,50.0,16.0,0.0,0.0,0.0,0.0,0.0,37.16903799999999,3.5483580490681974,3.474786274956361,3.35522244648502,3.194266705309426,2.998360606231203,2.775716958785604,2.5361252659895763,2.290542550350474,1.953043990680616,1.8956043426774425,1.8034369515715332,1.6819834006530077,1.5388353066443021,1.3833014314604537,1.22546855401725,1.0748021416889484,3.5751030762158935,3.4995459797759594,3.377197792679789,3.213367433105107,3.0153504281701755,2.792248882095576,2.554652157721873,2.3140785752768247,1.8951435246551265,1.8366840920303296,1.742622117995055,1.6180785181210033,1.4702249938383574,1.308001931458681,1.1414088221587582,0.9802935966712711,3.6976195072514604,3.6304210276188407,3.521735677807521,3.3765512567221605,3.201841675154154,3.006434924957978,2.800645429139081,2.5955189973711046,1.7207613598380964,1.6520155414179594,1.5412117919975892,1.393960973702837,1.2179802608714418,1.0228387635419813,0.8194324403849429,0.6190474902721548,3.595363312755533,3.5201013091195974,3.398346377610541,3.235559263497334,3.0392436011125654,2.81875085208988,2.5849235024798545,2.3494639673373374,1.8582469588043213,1.7993770181564288,1.7043534696189615,1.577952581879674,1.4269941020422596,1.2601710360763256,1.0874616318459327,0.9190088233911601,3.7559922354607673,3.6907806727289287,3.5855898500913947,3.445656109494811,3.278245396110871,3.0924487288281846,2.8986923184676576,2.7078134308707553,1.6661232519854043,1.59507816713143,1.480349700119497,1.3274067708886939,1.1437754529106108,0.9388263269150187,0.7233493150091335,0.5087805254192822,4.547965037068498,3.6233020871556776,3.549617707922251,3.426597301006445,3.2592654038033513,3.05709835063148,2.8324729387443295,2.5992886382847615,1.802172129315077,1.729707717022905,1.6143747054353463,1.4640101922554791,1.2888076519327087,1.1003187554275025,0.9101220348094443,0.7285015091382016,0,0,0,0,0,2,14,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.606601717798217,8.414213562373096,5.5961940777125605,3.707106781186548,2.4445436482630063,1.603553390593274,1.0454951288348662,0.6767766952966369,0.7415648069293068,0.5258883476483185,0.3730796051808374,0.26479334151332484,0.18804181909715434,0.13362944921610617,0.09504501171226055,0.06767766952966368,12.053815313298175,8.023334547203385,5.31980087546254,3.511667273601693,2.306347047137996,1.5058336368008465,0.976396828272361,0.6279168184004231,0.709047959605775,0.5014584092002116,0.35465339169750265,0.2508333766858352,0.17741131131830737,0.12548613640007053,0.08876334802476009,0.06279168184004232,25.925871768776666,49.4238892935179,46.682352941176426,47.32000000000003,30.05566586826352,392.89216287425154,0.5083504268387582,0.969095868500351,0.9153402537485573,0.9278431372549025,0.5893267817306572,7.703767899495128,5.460000000000007,77.39780000000007,100.0028270250051,158.73342281374897,200.00565405001024,11.765038473530014,100.0028270250051,8.326672684688674E-16,4.89804275569922E-17,-59.02722583352923,2000072.8883283122,117651.34637225365,24.664780109441317,384,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,15.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6121932589425563,0.0,8.643400230952269,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6121932589425563,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7878067410574445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2783324362726667,0.0,19.578267332775063,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.643400230952269,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6121932589425563,0.0,8.643400230952269,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6121932589425563,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20346020761245676,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2783324362726667,0.0,0.373046875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.643400230952269,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6121932589425563,0.0,8.643400230952269,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6121932589425563,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2783324362726667,0.0,1.4548611111111112,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.643400230952269,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,30.5,1.7941176470588236,0.6121932589425563,8.643400230952269,0.20346020761245676,0.373046875,10.420964466867373,1.126953125,2.6434002309522686,5.843465334449871,1.126953125,2.6434002309522686,5.843465334449871,8.33333,0.4902,0.0,0.0098,0.44837,0.7451,0.4283,0.44837,0.72037,0.02006,0.0,-0.02006,0.02473,0.65789,0.0564,0.0,0.1,0.0,0.0,8.25,0.48529,8.25,0.48529,0.0,0.0,-8.25,-0.48529,0.0,0.0,21.11256,1.24192,22.1419,1.02934,0.06055,8.07596,0.47506,8.41421,0.33826,0.0199,-2.1E-4,-1.0E-5,-2.1E-4,-1.0E-5,0.0,16.01,1,1,1,1,1,1,1.0,1.025881487020289,1.3632493645668793,2.0571238649434513,2.5593242445105484,2.776353051254098,2.864287944643252,52.319955838034744,69.52571759291084,104.91331711211602,130.52553647003796,141.594005613959,146.07868517680586,0.18085411885980607,0.2403291859092272,0.362653316866482,0.4511869421310065,0.48944726177553444,0.5049494302639418,4.646543854951207,4.3091759774046166,3.6153014770280447,3.1131010974609477,2.896072290717398,2.808137397328244,0.1817696008766016,0.24154573021133155,0.3644890648827042,0.4534708466079297,0.49192483966621353,0.5075054800001169,8.468234894626686,11.113804204111544,14.029522800926472,15.623098343193785,16.351458843285634,16.536722664872162,64.5184584085813,58.75234798874003,53.42058837798005,49.0865037675752,47.42348737501955,47.340399873917384,17.0,16.0,16.0,17,0,16,3.11,2.4217000000000017,0.0,2.3352028838688117,0.0,0.0,25.332009090222645,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.385,0.375,0.449,0.20500000000000002,8.608,15.0,14.0,13.0,12.0,11.0,10.0,9.0,8.0,7.0,132.0,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,4.890349128221754,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,0.875,16.0,1.0,2,8.0,16.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.03125,0.01481481481481482,0.008928571428571428,0.006153846153846155,0.004629629629629629,0.003710575139146568,0.003125,0.0027434842249657054,0.0025000000000000005,0.0023612750885478157,0.09431910857078861,100.0028270250051,158.73342281374897,200.00565405001024,11.765038473530014,100.0028270250051,8.326672684688674E-16,4.89804275569922E-17,-59.02722583352923,2000072.8883283122,117651.34637225365,24.664780109441317,20.23,294.0824394152286,5.08746284125034,4.143134726391533,4.795790545596741,5.459585514144159,6.124683390894205,6.794586580876499,7.4645098346365275,8.137103389639302,8.80941494391005,9.483492392643639,94.21230131873266,3.4965075614664802,0.0,4.532599493153256,0.0,5.6937321388027,0.0,6.912742820493176,0.0,8.164225652265827,8.507950610049305,242.260965708,4.750215013882353,32.828432360734816,1.9310842565138127,2.414200921578345,2.414200921578345,0.0,816.0,14.0,7.678999999999999,62.0,1.23836,2.1446778004081555,2.8614873429636742,3.59460769053962,4.935515540038761,5.948883416889262,7.272149869508934,8.3757400220126,9.681349000511068,10.82372380404372,80.50001236877995,74.20958927797844,73.05162024556229,97.24230551455214,122.10991595917065,146.43044673725876,170.82038370091166,194.4236890227776,217.65371499296197,239.71101436431044,287.82176810191424,331.8607993809715,335.8151430299269,451.4103262026129,575.3817067208936,696.8029694394595,819.5544655582584,938.3966320729404,1055.3275502422596,1166.2128461313748,9.133518787440005,15.452291947657598,20.172833064591053,25.516661628594644,34.879539524841604,42.12372130054273,51.41455097753275,59.29422152078829,68.51823778146529,76.71415818922277,2.139865911696039,2.744798175723498,2.9134426845871904,3.879454218918333,5.0199668870247685,6.084101319171448,7.212412836489963,8.272075305477925,9.350963305364465,10.353588068865896,178.20172109817514,331.04062442371026,470.84398753070025,581.6338997467163,809.982252474069,973.6589114197538,1198.352619846768,1380.2729992420032,1602.7699592186334,1794.3007869829687,2.5515299999999996,3.731279831306109,4.331166256361925,5.709944881913756,7.6249624057392476,9.338031147980262,11.334143143751128,13.223914082144619,15.332452757677277,17.417810687188062,0.4506230819999997,0.5883821733662751,0.6309953552114207,0.8395843192949318,1.0907603208870176,1.3240937043284047,1.5746568015084106,1.8105210020427789,2.0540542109309854,2.2829878765038365,708.4870664990488,838.2454182630366,26.358659284219698,203.76380586783523,-241.08284364395107,-24.70346744834225,504.7232606312135,1079.3282619069878,51.06212673256195,0.7766362170318794,0.9188759842872647,0.028894090521207977,0.2233637829681204,-0.26427252737884327,-0.027079686297528844,646.3179444744119,764.6901140679989,24.04570992645089,185.88370965972913,-219.9280344268835,-22.535759730237142,0.17725885302872701,0.33445143155908885,6.125115746195562,12.582256906638637,840.0756527626936,72.17521960419057,0.9208822684741007,0.07911773152589929,1028.9034360935539,32.076524688525,10.095431178978924,1366.6065588565018,36.967642051617275,11.09722777631643,1746.8025731182854,41.7947672935056,12.043367557255014,4.463644068938542,4.463644068938542,9286.831575538668,9234.46001155136,105.6809087690126,1.005671318509344,87.87615174503232,87.38058859557287,7.354008236996604,10.582349022805118,20.382600072646557,0.9260941052616724,9.918055672981737,14.610560686289004,6.8568445536388145,69.19359854756824,27.09478714161317,0.0939493539901529,12.364967282646617,6.447710032667386,51.58705963857348,1.0372828137104355,2.04064805841157,49.099238657857406,4.917534056523785,56.757990532718814,1.3548337528792196,1.6172126166341694,25.656607791953967,4.4246670316640495,50.53617011485785,2.143563750097544,3.120821093149623,16.14896747674181,5.219385871961261,38.42447683959775,2.897674544776237,4.2094285590748735,9.019223123609194,5.008635109745068,23.50375729081087,3.625708420330775,0.8522587366612225,14.73694898985581,0.5663760797578387,14.45836890976519,0.19477145610808833,0.02391239281199605,1.8117191704920264,0.19911362163196536,13.168062281144067,0.025841343124953533,0.22748956635741235,3.3228992532869586,0.13260715702807496,11.485192004420638,0.057203242920779024,0.43846094806028274,0.920242759359067,0.11428916172097979,8.776903913837016,0.09314004498546716,0.6795459349063141,0.2585206534840901,0.12169589576345899,5.887012266416721,0.1259071236130298,0.9234923277546557,0.09319094045526997,0.12645118840287528,3.328371387428764,0.15338532557152332,2.6317460119790286,14.50075814679218,1.5934508313860092,18.144741795773243,1.9987282593848568,0.01916258871845163,3.752003666517793,0.8680988173452217,17.91155290251017,0.123752424839857,0.39069942749090525,11.094458012794815,0.6125897506284067,18.350736697469387,0.22188755642520172,0.517707995346071,3.755681163820503,0.5382185228225298,15.222657593783076,0.3578323702352468,0.7626632042411909,1.5508917547653318,0.6010768713843844,10.738550500218542,0.4837191337372345,0.96638239349999,0.7366695807503194,0.6013868015231298,6.241954727997704,0.5945757147566395,9.58479357372507,14.737042922696917,6.940025324145046,63.44178089761879,24.143681162153,0.0915359292024372,12.333393062326271,5.850623593697603,48.842854083242905,0.9369632237449405,1.9111517460803147,45.78695903148151,4.4488874168244585,53.545413248258114,1.2399499324290868,1.6111199285058757,23.360668931208032,3.9995199846880873,47.45227287228338,1.9636137701517473,3.0342229932287506,14.4859850284357,4.708827136888175,35.90849816745003,2.654417867735187,4.109174855377737,8.055866626818661,4.525310467418828,21.90019347873257,3.3184726567892313,3.8118085833301185,14.411043362481337,2.2330235666347233,22.857062146676913,4.331807842809381,0.022000819006137033,4.972488514273,1.5074147468063455,21.924131107543772,0.22319477393043458,0.5669845569279586,16.884502894035908,1.089570465739195,23.67755998917783,0.36468658202364806,0.626019276617618,6.3590411708755505,0.9646028683350713,20.21806908696272,0.5852144851163982,0.9501366980978168,3.0173946873533186,1.0967803178531064,14.57663813371352,0.7910949191336509,1.1842787932495922,1.5283208390947924,1.0822980791433128,8.587381972447405,0.9768905465031598,12.158118783200251,14.691018478318131,8.866428523691765,94.3663650782004,39.50234760198313,0.13123252284457013,15.300658825021703,8.902070507522165,65.70474035880311,1.4523212671471593,2.7346841854652046,62.17831174064938,6.852260752685083,71.1388599579179,1.8204406151524057,2.002327201460261,35.052859433780455,6.181965338262483,63.58026199745744,2.8716324732125913,4.13102929228528,23.09036015117277,7.335261139663272,48.87187116332965,3.88187894409571,5.683660339900816,13.059512273224593,7.007924060502135,30.141776590977653,4.870746473574422,7.894290646262439,15.42514366605341,7.3694222485584975,38.906466738884866,11.566777717002726,0.09962490695212652,12.070622808424966,3.176203881892912,36.533933710236,0.4938027046800974,1.423176214263568,29.637130904994816,2.3690198924875077,38.43369912513314,0.7100205867331388,1.7766053127367982,13.075087490672933,2.1176328812610294,32.9895094407356,1.1306759508868525,3.024324646720352,7.305653776826984,2.4615869721224164,24.34992928483183,1.5284509520361995,4.237150489766963,3.9328142050512964,2.3890184581352574,14.76021556924384,1.9009439375921597,37.109831415816856,0.830807248203738,0.5185827088235295,0.9649137473703493,0.02160228986825945,0.5578097812736211,0.7105016582435902,0.6274452449245418,38.45922137284413,50.506476092761964,104.95418159397212,0.947370621055524,1.895756684441753,38.23927398967317,0.32612932952951557,0.10995928963938528,0.9887243818867467,0.008432482788279145,0.5923110531302315,0.1092944753579226,0.028210034649470864,38.67536260884207,16.711573141583475,56.758232420277416,0.98308657283012,0.729815563137625,36.37544994204614,0.5324066134311476,0.27636696594365834,0.9782495504065348,0.014318078018341321,0.5359510533672793,0.29178429941240913,0.1782017767951819,37.18422352142095,29.566642451400035,72.10313514174767,0.9673743256098022,1.0059371295748702,37.562904253756244,0.814043780701744,0.5051097529052885,0.9660729496154454,0.020936231954428845,0.5715167706304713,0.6821934794495029,0.5952662731695245,38.88205778736328,49.96241933180953,104.28964666629035,0.9491094244231683,1.8489765232494988,35.94688933809107,0.624924882485903,0.35134713365576886,0.9735593600240366,0.016925010198626016,0.5233946456652852,0.40179026175121263,0.28801333642916377,36.92316135423274,35.31350769433133,80.1293681596274,0.960339040036055,1.2131982438456614,37.35170066123195,0.8671691757622497,0.5481350280869993,0.963492041524104,0.02236874318199752,0.565105506886443,0.7741005562382259,0.7009949363241832,38.7670048650812,53.339344767272976,109.86057664966205,0.9452380622861559,2.040200999448852,37.652302635220934,0.8164797513879289,0.5071275914634144,0.9660403735641835,0.020948317867300028,0.5742402915673647,0.6862826017765429,0.6000317739026529,38.97590997807228,50.25092365303942,104.81712383786255,0.9490605603462752,1.8605546672465607 +UMLCN0054,L,dodecan-1-ol,CCCCCCCCCCCCO,Alcohols,,C12H26O,NREL (2014),CFR,PubChem,,63.6,0,-3.277400000000002,10.741350760000012,42.2915,39.25861799999996,0,0,39,13,26,0,12,0,1,0,0,0.0,0.0,0.0,0.0,0.0,2013.5551169999972,2097.8735119999997,2238.210126999999,2080.0638299999946,1883.3071009999949,1686.5503719999954,1489.7936429999959,1293.0369139999964,1096.2801849999971,6106.770953160495,7911.844461206879,10414.982555896942,10589.366499317186,9582.568154362054,8575.769809406902,7568.971464451768,6562.173119496646,5555.374774541525,278.5179720000001,280.391528,525.8509480000002,718.2676800000012,655.3827800000007,592.4978800000002,529.6129799999998,466.7280799999997,403.84317999999985,45.669939526074046,60.390615736000015,87.74549489988591,95.61925642475177,86.59772756535583,77.57619870595991,68.55466984656404,59.533140987168096,50.51161212777208,6514.842511512975,5561.329214923651,11424.139765840191,16972.05538772305,15493.10023268446,14014.145077645862,12535.189922607267,11056.23476756867,9577.279612530074,90.75,79.5,128.25,154.0,141.75,129.5,117.25,105.0,92.75,51.62961838461531,55.20719768421052,30.66041269863012,20.39278264705877,20.250613989247256,20.077980619047565,19.863915239999944,19.59146839393934,19.232985701754334,156.58387059385885,208.20643318965472,142.67099391639647,103.81731862075672,103.03836725120487,102.09249773103454,100.91961952602357,99.42686544691888,97.46271534283377,7.141486461538464,7.378724421052631,7.20343764383562,7.041840000000011,7.047126666666674,7.053546190476193,7.061506399999997,7.071637575757571,7.084968070175436,1.171024090412155,1.5892267298947373,1.201993080820355,0.9374436904387429,0.9311583609178046,0.9235261750709514,0.9140622646208538,0.9020172876843651,0.8861686338205629,167.04724388494807,146.3507688137803,156.49506528548207,166.39269987963772,166.592475620263,166.83506044816502,167.13586563476358,167.51870859952533,168.02244934263288,2.326923076923077,2.0921052631578947,1.7568493150684932,1.5098039215686274,1.5241935483870968,1.5416666666666667,1.5633333333333332,1.5909090909090908,1.6271929824561404,0.2554343775303786,-0.10049999045472091,-0.046757300005718275,0.015331400039481254,0.001331709186554465,4.7709348270441945E-5,6.729154913495683E-7,-1.0112160310840612E-6,-1.396586521464939E-5,1123.24170876923,-67.35185500591876,-535.6303893372797,4.343663526627122,4.2495561656806125,4.155448804733876,4.0613414437873665,3.967234082840573,3.8731267218938363,1867.2504064496213,-74.61852079549577,-903.3625236021965,-9.371978100767702,-9.575816411785919,-9.779654722804136,-9.983493033822466,-10.187331344840683,-10.391169655858999,1.1953052307692316,-0.07405268639052892,-0.20047389349112177,0.006210934911239794,0.0013324497041396263,-0.003546035502960486,-0.00842452071006065,-0.01330300591716075,-0.01818149112426092,8.29540433658877,-0.20662275080728823,-3.79481617019608,-0.09674136321893957,-0.10119949339645597,-0.10565762357397192,-0.1101157537514852,-0.11457388392899982,-0.11903201410651444,45.44601473953228,-0.9268166340491193,-20.227807421634658,-0.6202332772021686,-0.6531266799388371,-0.6860200826755056,-0.7189134854121741,-0.7518068881488427,-0.7847002908855156,25.358974358974354,-1.8113083497698885,-3.14628533859303,0.009861932938861062,-0.13806706114397932,-0.28599605522682064,-0.4339250493096622,-0.581854043392503,-0.7297830374753438,0.006549599423855862,-0.002644736590913708,-6.405109589824421E-4,1.5030784352432601E-4,1.4319453618865214E-5,5.679684317909755E-7,8.972206551327577E-9,-1.532145501642517E-8,-2.450151792043753E-7,28.80106945562128,-1.7724172369978621,-7.337402593661365,0.04258493653556002,0.04569415231914637,0.049469628627784236,0.05415121925049822,0.060109607315766256,0.06794959161217257,47.87821554999029,-1.963645284091994,-12.374829090441047,-0.09188213824282061,-0.10296576786866579,-0.11642446098576352,-0.1331132404509662,-0.15435350522485883,-0.182301222032614,0.030648852071005938,-0.001948754905013919,-0.0027462177190564624,6.089151873764504E-5,1.4327416173544369E-5,-4.2214708368577215E-5,-1.1232694280080868E-4,-2.015606957145568E-4,-3.189735284958056E-4,0.21270267529714795,-0.0054374408107181115,-0.05198378315337096,-9.484447374405841E-4,-0.001088166595660817,-0.0012578288520710944,-0.0014682100500198027,-0.0017359679383181792,-0.0020882809492370953,1.1652824292187764,-0.024389911422345246,-0.2770932523511597,-0.006080718403942829,-0.007022867526224055,-0.008166905746136972,-0.009585513138828989,-0.011391013456800646,-0.013766671769921328,0.6502301117685731,-0.04766600920447075,-0.04309979915880863,9.668561704765748E-5,-0.0014845920553116056,-0.0034047149431764363,-0.005785667324128829,-0.008815970354431863,-0.012803211183777962,-0.40380127390397047,-0.09779391341850373,0.02294916586453423,0.002186309832431722,8.67180410640446E-5,1.3698863045956303E-6,-2.3392965011904754E-6,-3.740918540940793E-5,-0.06153997995556823,-0.2547614631105054,0.001478588723977,0.001586543596568702,0.001717631656144246,0.0018801808500180258,0.002087061642220869,0.002359273210908855,-0.04101333480237428,-0.2584647098536979,-0.0019190802578447235,-0.002150576555242704,-0.0024316792020831098,-0.002780246484165244,-0.003223877570451561,-0.0038076026839862246,-0.06358329181462091,-0.08960262892372424,0.001986747125033401,4.6746991177193945E-4,-0.001377366704331242,-0.00366496410829921,-0.0065764517133493185,-0.010407356456836344,-0.02556357508490172,-0.24439647071081289,-0.0044590164938715345,-0.005115904603177352,-0.005913554450191535,-0.006902640260488954,-0.008161476746322128,-0.00981784054347104,-0.020930472142016786,-0.23779063804894696,-0.005218235726783796,-0.0060267514124728505,-0.007008520459380987,-0.008225914077547077,-0.009775324137031192,-0.011814021583720883,-0.07330637007077859,-0.0662839176143053,1.4869446261828824E-4,-0.0022831794905247248,-0.005236169290769829,-0.008897876643073763,-0.013558231455096935,-0.01969027726039058,1.391541697684719,0.8692823787199294,0.6221986372211351,0.6820606166088481,0.7348432437965443,0.7978701035554768,0.8779838861499419,0.9834261710904297,1.4543995404070533,1.3982720151944723,0.9204154209067638,0.9214074059761648,0.9226119592747232,0.9241056053649357,0.9260066094797516,0.9285079306834563,1.5386477493429835,1.4715570394946582,0.9633394852379064,0.9580386140368046,0.9516018418640384,0.9436202443698081,0.9334618475589694,0.920095535965761,1.0646686446616005,0.9082413561739106,0.6352324142029724,0.6804924031904399,0.7354509612466504,0.8035995732363516,0.890334170314153,1.004458640153365,1.5630529267689601,1.4773397910962727,0.9669141970255902,0.9613407682063708,0.9545730332116044,0.9461810418180936,0.9355003254990798,0.9214467513951144,1.564847737731884,1.4720814015797805,0.9639171421058862,0.9588941362825464,0.9527947720684911,0.9452315604430623,0.9356056547379713,0.9229399893365359,1.0647118301314462,0.8570092940149869,0.6060042824005235,0.6565934962001371,0.7180232558139535,0.794196157735086,0.8911434874528911,1.0187057633973713,115.29396025675773,57.77198012837882,92.07537384213775,115.50549871829614,8.885038362945856,57.77198012837882,0.24999999999991473,0.014110452913526694,0.0010854194548866687,-5.539091239332212,167.77044361723745,12.905418739787496,6.659375629370935,115.2978510830093,57.773558331054005,92.07726642461024,115.50876811147745,8.885289854729034,57.773558331054005,0.2492655790987044,0.014069611294541429,0.0010822777918878023,-5.542859445214464,167.95256139254505,12.919427799426542,6.66078603692472,118.79377247512762,59.19738899853478,93.80171548260127,118.45616176292464,9.112012443301897,59.19738899853478,-0.3989944780580714,0.02342933877177822,0.0018022568285983244,-4.879896122784349,140.2859218014593,10.791224753958407,6.4267874300948895,115.30193470587628,57.77521475304757,92.07925285017181,115.51219953683069,8.885553810525437,57.77521475304757,0.2484948002188716,0.014026743994810964,0.001078980307293151,-5.546826332187328,168.14456665707408,12.934197435159545,6.662271362744017,122.59850126033726,60.75810349799903,95.73563997202272,121.6827138058964,9.360208754299723,60.75810349799903,-1.0822942643391897,0.06641915461065673,0.005109165739281287,-3.5253007283624527,101.92602242321107,7.840463263323928,6.0115214637241525,115.70207731903233,57.93760575245528,92.27420865656987,115.84857547631393,8.911428882793377,57.93760575245528,0.17313418587824714,0.009816658344043272,7.551275649264055E-4,-6.010776856965984,192.74545326545115,14.826573328111627,6.839781550419644,118.11329268553216,59.302517654843186,95.2309063161849,118.5748311470706,9.121140857466969,59.302517654843186,0.666666666666643,0.027041503779249465,0.002080115675326882,-4.693497141080544,132.75639185736816,10.212030142874474,6.355070551111866,0,11.996218974812376,15.99794408777204,-0.4217250777182241,0.06976192053965172,3.9450546023844875,7.539018841593974,12.0,38.0,38.0,38.0,12.0,0.0,0.0,0.0,0.0,0.0,28.423381999999993,3.5327802186092185,3.413917271166933,3.2237220635798343,2.974176567835038,2.682052373632719,2.3683553865877958,2.0567681080950226,1.77051705857478,1.9408744733065906,1.8485267814449848,1.7037206183326423,1.5205196102730525,1.3180120112498255,1.1173560740940636,0.9368629423747011,0.7875665856510679,3.5585932910363502,3.435317983822075,3.2394214927342495,2.984973262786398,2.6910052557100324,2.3804479552416056,2.077960399446659,1.8061581852330375,1.882957022086689,1.789433533832106,1.6420542941217717,1.4538860874035724,1.2429812952776864,1.0302681366865403,0.8352719434342624,0.6712374612998513,3.683463131681547,3.5753383776183676,3.4036383175602047,3.1812492697572963,2.9260940439521024,2.66005046549863,2.406141033121633,2.1838284731272757,1.7058602144519008,1.5942725690738566,1.4182425159753014,1.19248159889619,0.9368282295165964,0.6745484651725177,0.4288203183470028,0.21770196535298456,3.5788297123109474,3.45583955222747,3.2607249136463703,3.008009073224999,2.717314786514858,2.412164083362834,2.117507532928221,1.8555575666561406,1.846145351689376,1.7522860971596743,1.603545700633267,1.4121020448141712,1.1953273203396495,0.9741264879395892,0.7689421750824048,0.594594132515793,3.7421908513560203,3.6372191946223826,3.4712676316811333,3.257841053486851,3.015450985083961,2.7661329545910966,2.5320606383323905,2.3305747599256836,1.6507215320811297,1.535298223216378,1.3526577680031049,1.1171719384536405,0.8482813650825005,0.5691146927083235,0.30354719937250413,0.07153980896334465,4.525625381905146,3.6012559730097458,3.4780189221161892,3.2747418379697137,3.009464117083963,2.7099754661874287,2.407742475983944,2.13169899665534,1.7913500639389088,1.6713262330782301,1.4867857572855465,1.2589577020881024,1.0128152463042603,0.7722443587961676,0.5561249075694978,0.37634622329700407,0,0,0,0,0,2,10,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.778174593052025,6.414213562373096,4.181980515339465,2.707106781186548,1.7374368670764584,1.1035533905932737,0.6919417382415922,0.42677669529663687,0.7521672763886174,0.5345177968644247,0.3801800468490422,0.2707106781186548,0.19304854078627315,0.13794417382415922,0.09884881974879889,0.07112944921610614,9.225388188551984,6.023334547203386,3.905587313089444,2.511667273601693,1.599240265951448,1.0058336368008463,0.622843437679087,0.3779168184004232,0.7096452452732295,0.5019445456002821,0.35505339209904035,0.2511667273601693,0.17769336288349422,0.12572920460010578,0.08897763395415528,0.06298613640007053,19.758560553633203,37.872541879096886,35.78039215686274,36.279999999999994,22.86144790419164,300.7791425149701,0.5066297577854667,0.9710908174127406,0.9174459527400702,0.9302564102564101,0.5861909719023497,7.712285705512054,3.899600000000004,58.92980000000005,58.31391261780084,92.72762715260265,116.62782523560168,8.97137117196936,58.31391261780084,4.996003610813204E-16,3.843079700625542E-17,-45.80254012477108,2000042.4827746218,153849.421751894,18.861282673591717,216,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,11.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6291062018157838,0.0,8.566063511947316,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6291062018157838,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.9708937981842167,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2588196801571967,0.0,13.675116807895488,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.566063511947316,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6291062018157838,0.0,8.566063511947316,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6291062018157838,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20591715976331362,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2588196801571967,0.0,0.3715277777777777,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.566063511947316,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6291062018157838,0.0,8.566063511947316,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6291062018157838,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2588196801571967,0.0,1.4244444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.566063511947316,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.5,1.8846153846153846,0.6291062018157838,8.566063511947316,0.20591715976331362,0.3715277777777777,7.567216403233534,1.1284722222222223,2.5660635119473154,5.649766384209025,1.1284722222222223,2.5660635119473154,5.649766384209025,6.33333,0.48718,0.0,0.01282,0.45299,0.75897,0.42683,0.45299,0.72619,0.02616,0.0,-0.02616,0.03278,0.64189,0.0724,0.0,0.13158,0.0,0.0,6.25,0.48077,6.25,0.48077,0.0,0.0,-6.25,-0.48077,0.0,0.0,14.51267,1.11636,15.46341,0.95074,0.07313,6.07596,0.46738,6.41421,0.33826,0.02602,-2.1E-4,-2.0E-5,-2.1E-4,-2.0E-5,0.0,12.01,1,1,1,1,1,1,1.0,1.0487103552642414,1.4567948933945112,2.2804419778388967,2.8490035006916363,3.0217951691829175,2.9852680583644666,40.89970385530541,56.815000842385935,88.93723713571697,111.11113652697382,117.85001159813378,116.4254542762142,0.19841637624505895,0.2756261175725819,0.4314604420644814,0.5390324865956788,0.5717247323957491,0.5648137898967857,4.236691863598008,3.8286073254677375,3.004960241023352,2.4363987181706124,2.2636070496793312,2.300134160497782,0.1998332394221845,0.2775943245524349,0.43454143983450644,0.5428816410656132,0.5758073375522056,0.5688470449938805,8.839254173374055,12.012744094755472,15.441296481663315,17.067114280554243,17.425876428463575,16.813568458881576,48.89481499262317,43.334466388736956,38.149947210108486,34.349136818608415,33.85482192559952,35.711139222648455,13.0,12.0,12.0,13,0,12,2.6700000000000004,1.8581000000000016,0.0,2.2406732477028206,0.0,0.0,17.158645119421905,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.385,0.375,0.449,0.20500000000000002,6.611999999999999,11.0,10.0,9.0,8.0,7.0,6.0,5.0,4.0,3.0,88.0,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,4.48863636973214,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.8333333333333334,12.0,1.0,1,6.0,12.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.041666666666666664,0.02020202020202021,0.0125,0.00888888888888889,0.006944444444444444,0.005830903790087464,0.005208333333333333,0.00493827160493827,0.005000000000000001,0.005509641873278237,0.12363361524810197,58.31391261780084,92.72762715260265,116.62782523560168,8.97137117196936,58.31391261780084,4.996003610813204E-16,3.843079700625542E-17,-45.80254012477108,2000042.4827746218,153849.421751894,18.861282673591717,20.23,224.8985009117612,4.700439718141093,3.8501476017100584,4.48863636973214,5.14166355650266,5.796057750765372,6.456769655572163,7.117205503164344,7.781138509845015,8.444407421690585,9.109967397829395,83.18599376681173,3.2188758248682006,0.0,4.23410650459726,0.0,5.37989735354046,0.0,6.586171654854675,0.0,7.826044013518965,8.174702882469461,186.198365452,4.774317062871795,24.828510900564183,1.9098854538895524,2.4140113096570923,2.4140113096570923,0.0,364.0,10.0,5.403,46.0,1.2347894736842102,2.1393324692530142,2.855742487038504,3.582632548544159,4.9243390039054,5.931712475079308,7.2539106335604,8.349059397887554,9.649845678295202,10.775723022765836,79.95637057249996,73.10062113252756,71.53128463843173,94.9312183128525,118.68004379606079,141.49884572397593,163.708030564129,184.15618171597805,202.4665493639961,216.52521859136934,283.9318054598867,325.70346395334684,328.0285240671689,439.12717005185215,557.3156615115593,670.4376210133748,781.6558632871447,883.2525533996901,973.8922663766234,1041.2791997888849,9.141150541368424,15.45793674513226,20.174670947342964,25.505633876289373,34.908437891416675,42.1657387053496,51.52080395522423,59.45444309154834,68.81146246040564,77.17564432057499,2.107587322330578,2.6943946253858404,2.8518678408633136,3.7803299612174186,4.875521242104519,5.8717744376684715,6.908389065386208,7.82811606648873,8.696691635305317,9.347672545839053,178.2697808624425,331.5121769857803,471.5324249069288,582.2901864456593,812.1580504131695,976.7969106115603,1204.0921766667082,1388.7463507247005,1616.7992613168678,1816.1014887601386,2.6450921052631577,3.839923044945937,4.442547130957203,5.894096525226473,7.90719498912628,9.760611646390895,11.954359183123152,14.139823667759213,16.701524708109634,19.538073047207156,0.44651168684210524,0.5810708458505952,0.6217273596641368,0.8246638953698135,1.0693147077540348,1.2926285313786892,1.5299104852537215,1.7452720363035135,1.9582790674952195,2.135885465204541,593.9038230945151,576.3312515016994,23.568620444118146,204.08055040214873,-198.0421651566099,-29.007239767603515,389.8232726923664,774.3734166583093,52.57586021172166,0.7442549538809962,0.7222337562530088,0.02953519044595261,0.2557450461190039,-0.24817799913651803,-0.03635063634203457,473.92597018935015,459.90333265613174,18.807390819280283,162.85309015551297,-158.03455308842018,-23.147324052818604,0.21611810345021634,0.40777093978514056,7.467883131717611,20.49668625803546,713.1645379860856,84.8198355105782,0.8937073978793486,0.10629260212065145,780.577159508954,27.93881098953486,9.207433970596895,1040.7839936176003,32.26118400830323,10.13413926575115,1285.1654001925735,35.849203620060706,10.872256127777328,3.7899951807627805,3.7899951807627805,4204.909437655161,4164.673219192836,80.22863090199326,1.009661314668555,52.41158163089994,51.91006218566003,6.148131190093647,8.108225633110866,15.415470821093281,0.9012138436481645,7.686851245493265,10.816491455449148,5.671514527797986,49.30208749111359,19.19538854688248,0.09388679172072727,9.187714984069453,5.8956001414450645,34.129465479871364,0.9140358064457803,2.0390237484765388,30.90233387727027,4.475379716792285,32.897844085719825,1.3545610300851365,1.6090505380918527,13.463027569622245,4.424623080288548,23.29115003859245,2.1435612860140014,3.0964773392490286,5.6878522922386265,5.219385792446813,9.818932237706989,2.897674485739925,3.903619924116151,0.20798306604517386,4.435707344533585,0.22353171112213688,0.9788655181513055,0.6650092101466528,10.943048180429317,0.477908351326213,10.404798512863035,0.1385060795711588,0.02385034251247562,1.3214829019968413,0.1952236445807732,8.852253665089972,0.02497319503565765,0.22586526221441944,2.073446373455185,0.12949302553850245,6.886648148735789,0.05720132100056458,0.43030499506815134,0.5123295530625132,0.11428884461292142,4.333073855008767,0.09314002758366356,0.6554565762936213,0.11159166654476135,0.12169587139127737,1.8751287471979396,0.1259071231935036,0.8661657770058135,0.013423480689019596,0.2138832855810809,0.021323560741073423,0.1094243539152833,2.027281714603478,10.706845768131668,1.3006122042945107,13.019921979410604,1.417340388545102,0.019100504208133372,2.7133507843734512,0.8275734229157184,11.933122856324049,0.11470651089996094,0.3890751221656359,6.928235309884402,0.5801381215278808,10.801756919447472,0.2218675372616164,0.5095507922850391,2.04525105099622,0.5382152899801551,7.263556481109767,0.3578321892649304,0.7385220508244867,0.5985015855254832,0.6010768432033368,3.116452261096036,0.48371912939481426,0.8920765061015291,0.045683394058645146,0.6484101392463567,0.02596624761199553,0.18955516389599467,7.478718600654811,10.94299207162305,5.828750687583344,45.28456391228877,17.105025944232935,0.09147342314283868,9.320659413267768,5.35870264185918,32.550596453078846,0.8271522838701536,1.909527436499869,28.81950713763094,4.054935860212817,31.211588355397176,1.2397069405649175,1.6029582250666996,12.27887052008045,3.999480823970796,22.00604382278593,1.963611574665403,3.0098948601694557,5.116152871005666,4.708827063383948,9.307327237838798,2.6544178151323585,3.830514618208982,0.1934436469263935,4.364987093905442,0.20571629096218264,1.2294878473113713,2.9209394253519028,10.617116269390516,1.7940942147784897,16.355035861568314,3.0705041779943785,0.02193869013967993,3.557346813368322,1.4193916730265008,14.50153498981522,0.20354610913315552,0.5653602507910932,10.554909947265534,1.0190811936728903,13.811839720848939,0.36464310045860354,0.6178612153384104,3.426914386970518,0.9645958550954516,9.507670350175632,0.5852140921401949,0.9259599497712001,1.126118166843203,1.0967802848462698,4.057619351411563,0.7910949097104375,1.0882986764086353,0.07003991203579334,0.9876608158754517,0.040417795730449645,0.1876958864896846,9.463616307374814,10.896872033589148,7.399063178345149,67.18527667118033,27.98386964165562,0.13116972422039277,11.51424365900142,8.09687475538425,43.52276163037125,1.2725774466245725,2.733059874217307,39.21136054855036,6.207420203620778,41.23328034947367,1.8200428782101172,1.9941637339647738,18.299727352861485,6.181901242816815,29.217644682476543,2.8716288797311615,4.106627648138874,8.066583226373742,7.335261034904477,12.278720147827483,3.8818788580088004,5.263780405239787,0.2648428855800946,6.211004809178954,0.3222882966616275,1.4296417122778715,6.379819054485389,11.625732951936824,6.552213490853512,27.92296959890801,8.08564305792707,0.09822421762403978,9.825899270144227,2.9011258095239953,25.41779889883004,0.43529636929806564,1.4024713827114175,18.58108181097322,2.1510800052422723,23.286807292981774,0.7003433792405807,1.744953504809656,6.90341894448451,2.0890944022711744,16.143503208817716,1.1154471288764904,2.9606356189966156,2.6102026648843357,2.4284346177802343,7.315201794129975,1.50786596412759,4.021614217098731,0.15211716222187793,4.3520977533825285,0.16303426066062757,2.471096417360629,21.648103663064752,0.8258684214567906,0.5087423115384615,0.9419298038518876,0.035934329045065785,0.5592182727073536,0.6935274531538547,0.615377285664834,22.982714396060004,29.3119457074786,61.3902019908647,0.9128947057778314,1.868123011526042,22.486394319817375,0.32341730480741404,0.10732953247146317,0.9812041635417733,0.014112462919803085,0.6034438134091946,0.10606592025033584,0.02738950724930303,22.917141157096253,9.720655463185203,33.418349469465866,0.9718062453126599,0.7368992409088334,21.10392005218938,0.530641417443305,0.27204356348779507,0.9633587687495381,0.024222896091887856,0.5314571344215363,0.286322735436475,0.17596352525069653,21.90660503312048,17.084157246798583,42.03727315223384,0.9450381531243071,0.9937433951087078,21.983679434274435,0.8079021590276971,0.4945070365660876,0.9440692159041586,0.03469462698821091,0.5766977203488657,0.6637828440925511,0.5814209755897565,23.28608862986822,29.031259550681128,61.10012055235259,0.916103823856238,1.821901540031173,20.78251894518214,0.6236901256081415,0.3465239803433676,0.9553980594681666,0.02867180524589933,0.5153892675661154,0.39519737586073383,0.28550408896445223,21.75273305113365,20.379616622646775,46.623942169939674,0.93309708920225,1.1960907323913015,21.827036694358643,0.8612321436814068,0.5371399607826842,0.9397912813256931,0.03708146328623768,0.5685027910766912,0.7542596721695564,0.6859945576696486,23.225408798822734,30.98492143638705,64.30756542692126,0.9096869219885396,2.0087570209158963,22.044580824467555,0.8101017025931889,0.49633067201007713,0.9440524330372416,0.03469235770143902,0.5798971660936066,0.6674027972944396,0.5857171934360017,23.351013199070824,29.201832396087358,61.416493672054166,0.9160786495558626,1.8330171568240479 +UMLCN0055,L,2-methyl-2-butanol,CCC(C)(C)O,Alcohols,,C5H12O,Marquardt (2015),IQT,PubChem,,12.1,0,-0.10290000000000021,0.010588410000000045,25.142900000000004,17.603516,0,0,18,6,12,0,5,0,1,0,0,0.0,0.0,0.0,0.0,0.0,989.4813740000002,918.5254329999998,1333.2083229999987,882.1604869999994,235.23897600000004,21.337344,0.0,0.0,0.0,2706.980218882171,3340.9135197743126,4519.406186721345,4516.580377315207,2639.045493190123,652.7586330495353,0.0,0.0,0.0,131.67586399999996,127.96106800000001,227.0952040000001,297.78294800000003,315.7781760000001,141.087744,0.0,0.0,0.0,19.92305885818799,25.27869539600001,35.209369388490025,38.36093613709402,28.97415422862096,9.336871001829005,0.0,0.0,0.0,3038.4348905434886,2530.0530543130503,4960.099597828091,6366.608215993495,7908.757859059372,3883.2706925092293,0.0,0.0,0.0,63.8125,44.375,75.25,112.25,73.0,21.0,0.0,0.0,0.0,54.97118744444445,54.0309078235294,43.00672009677415,22.619499666666652,5.2275328000000005,1.016064,0.0,0.0,0.0,150.3877899378984,196.52432469260663,145.78729634584982,115.8097532644925,58.64545540422496,31.083744430930253,0.0,0.0,0.0,7.315325777777776,7.5271216470588245,7.325651741935487,7.635460205128206,7.017292800000002,6.718463999999999,0.0,0.0,0.0,1.106836603232666,1.4869820821176476,1.1357861093061299,0.983613747104975,0.6438700939693547,0.44461290484900023,0.0,0.0,0.0,168.80193836352714,148.82665025370883,160.0032128331642,163.2463645126537,175.75017464576382,184.917652024249,0.0,0.0,0.0,3.545138888888889,2.610294117647059,2.4274193548387095,2.878205128205128,1.6222222222222222,1.0,0.0,0.0,0.0,0.21444378501636363,-0.12109813944631284,0.0647769392171742,-0.08120905886100084,0.004974954279169268,0.02533341230278843,0.0,0.0,0.0,557.791235111111,-66.11605249382674,203.27169553086452,-683.1500787407399,-50.54822122222294,317.6470393703698,0.0,0.0,0.0,815.625294494212,-79.24525179610046,107.44540659293081,-838.6188313533158,-56.42950901125221,459.0355383206304,0.0,0.0,0.0,1.0599671111111104,-0.09514138271604818,0.19051975308642005,-0.7810140740740699,-0.061880888888891344,0.21753303703703403,0.0,0.0,0.0,3.576219349173775,-0.2657232229452343,-0.3220382292295054,-2.757332675813854,-0.16289572250522416,1.7198801759069258,0.0,0.0,0.0,19.767461101823752,-1.326495629725764,-3.0998472970767117,-13.534458748738803,-0.751663446052465,8.828734570681886,0.0,0.0,0.0,24.059027777777796,-5.760609567901234,7.735146604938269,-15.989004629629624,-2.9774305555555602,4.9623842592592595,0.0,0.0,0.0,0.011913543612020202,-0.007123419967430167,0.002089578684424974,-0.002082283560538483,1.1055453953709484E-4,0.001206352966799449,0.0,0.0,0.0,30.988401950617273,-3.8891795584603965,6.557151468737565,-17.516668685659997,-1.1232938049382877,15.126049493827132,0.0,0.0,0.0,45.31251636078955,-4.661485399770616,3.465980857836478,-21.50304695777733,-1.253989089138938,21.858835158125256,0.0,0.0,0.0,0.05888706172839502,-0.005596551924473422,0.006145798486658712,-0.020026001899335125,-0.0013751308641975855,0.010358716049382573,0.0,0.0,0.0,0.19867885273187638,-0.0156307778203079,-0.010388329975145336,-0.07070083784138087,-0.0036199049445605367,0.08189905599556789,0.0,0.0,0.0,1.098192283434653,-0.07802915468975082,-0.09999507409924877,-0.3470374038138155,-0.016703632134499224,0.4204159319372327,0.0,0.0,0.0,1.3366126543209886,-0.3388593863471314,0.24952085822381512,-0.40997447768281087,-0.06616512345679022,0.23630401234567902,0.0,0.0,0.0,-0.597926208978072,0.17539522685061462,-0.17478288814400758,0.009279735999417548,0.10125895418574671,0.0,0.0,0.0,-0.12550436013635502,0.21160018122867255,-0.5652653116341507,-0.036248845833623644,0.48811970097495877,0.0,0.0,0.0,-0.10287412340234443,0.07649058441688548,-0.4745498304831431,-0.0276742319749882,0.4824017051730202,0.0,0.0,0.0,-0.09503873618769461,0.10436585399701206,-0.34007473478131944,-0.023352003374529126,0.17590818331470012,0.0,0.0,0.0,-0.07867358606807613,-0.05228704430443198,-0.3558548726712952,-0.01821988044920773,0.41221828528521526,0.0,0.0,0.0,-0.07105236110903149,-0.0910542494311734,-0.3160078695221188,-0.01521011610303594,0.38282542891519894,0.0,0.0,0.0,-0.2535210071905799,0.18668150224163033,-0.30672646735570647,-0.04950209265406268,0.17679318805022357,0.0,0.0,0.0,1.495081051594961,0.5782772978526277,1.7645672014035358,0.8146267765900705,0.1990809565791965,0.0,0.0,0.0,1.4094523407908954,0.8566281994228828,1.74939884772478,0.7612729102928683,0.0,0.0,0.0,0.0,1.590373361426113,1.0942961180736934,1.511065098944288,0.7357540963698757,0.0,0.0,0.0,0.0,1.0439871090339914,0.7257083353610786,2.132050380018242,0.6578954651003848,0.0,0.0,0.0,0.0,1.6557110889917843,1.2535927481281204,1.4042085142644405,0.6939423164189978,0.0,0.0,0.0,0.0,1.661705788403622,1.2929634225788864,1.387400702448878,0.6791224022597067,0.0,0.0,0.0,0.0,1.2157598499061903,0.6453381998985093,2.082984557656226,0.69089334680329,0.0,0.0,0.0,0.0,18.339886362980145,9.29494318149007,13.387321630400404,18.50655302964681,3.084425504941135,9.295163209147987,0.24999999999999112,0.1316236542776647,0.021937275712944116,-1.216685119494985,17.245730851907403,2.8742884753179005,1.708538775600899,18.342789318942863,9.296027449020777,13.38851553258274,18.508966371675328,3.084827728612554,9.296247189015368,0.24926557909869018,0.13156480585758829,0.02192746764293138,-1.2169534371303108,17.24651776847881,2.8744196280798016,1.7085661527631202,20.979110315322806,10.29005791863239,14.598571262554659,20.71311399661746,3.4521856661029098,10.290131171474581,-0.398994478058027,0.04410680417160795,0.007351134028601325,-1.8726847312950792,21.087557938273,3.514592989712167,1.8292099172314227,18.345836237583683,9.297165518901307,13.389768831717786,18.51149943772964,3.085249906288273,9.297384957449799,0.24849480021893022,0.13150299501623985,0.021917165836039976,-1.2172353911008718,17.247346176797056,2.8745576961328427,1.7085949720912088,23.866911445811787,11.392308590736317,16.692691564962303,23.145381936252353,3.8575636560420583,11.392332396008387,-1.0822942643391524,0.15206173502441778,0.02534362250406963,-1.1300812134699678,60.7950393871838,10.132506564530633,2.4645049179701846,18.644943629378133,9.409038907628222,13.513789739209356,18.760366419963674,3.1267277366606123,9.409231005138293,0.1731341858783111,0.12519833604182423,0.020866389340304037,-1.2467136664831333,17.34230020836998,2.8903833680616633,1.711889169517955,22.230063735768738,11.373365201217704,17.11414003249777,22.574508180213183,3.76241803003553,11.373393596344215,0.516666666666671,0.16247988707541536,0.027079981179235893,-1.090320634029786,15.19297969397472,2.5321632823291202,1.632500075353506,0,11.996400566196213,15.997942234108702,-0.41530591056436744,0.0850925436115277,4.891451886334372,7.488420617950341,5.0,17.0,17.0,17.0,5.0,0.0,0.0,0.0,0.0,0.0,13.118483999999997,3.511481793220926,2.779107873880094,2.3335527931030464,2.049845808285416,1.6562425457086614,0.4041183737355905,0.08392307051869165,0.08392307051869147,1.8537742992260224,1.4754290694605934,1.2496297225843553,0.8458310220418295,0.5580407485864689,0.08392307051869083,0.08392307051869093,0.0839230705186912,3.4942886483688502,2.8180491983616824,2.4054545878412887,1.9049916360107049,1.6204051763071876,0.5082876072981649,0.2709139018929377,0.2709139018929374,1.8171311322203216,1.3852138369705291,1.1345406859483518,0.7574744120073934,0.5877481731597399,0.27091390189293685,0.27091390189293707,0.2709139018929371,3.6372298962043503,3.0482959989848197,2.70423698723352,2.3560161965548563,2.1075009459363185,0.9616665163937396,0.9439184268026228,0.9439184268026227,1.6247675965503854,1.082231753937243,0.7603185604308984,0.2910871578141524,0.006286556333122987,0.9439184268026216,0.9439184268026216,0.9439184268026221,3.5021387785947846,2.853206080791348,2.457539916041693,1.9335252802975538,1.5993096436503804,0.5896822688090216,0.3992772455089823,0.3992772455089822,1.7951190425509758,1.3267838190852685,1.0582626705327112,0.7349386538937986,0.5436720336190375,0.3992772455089812,0.39927724550898136,0.39927724550898175,3.6821123254512926,3.1491823304157975,2.8389820851496492,2.4462624398713384,2.243431704450528,1.207644822962089,1.2076448229620886,1.207644822962088,1.579026643202293,0.9853293680880093,0.6313372621875626,0.15875420274239782,0.10000562715887132,1.142081151728431,1.2076448229620873,1.2076448229620875,4.177150498646239,3.204930371634103,2.8993448349348068,2.6126008182063583,1.9355858586112815,0.6183894199071306,0.5714285714285721,0.571428571428572,1.7219366520781687,1.1915750350366205,0.8983151039206431,0.5044533502191788,0.1539926250289835,0.571428571428571,0.5714285714285711,0.5714285714285712,0,0,0,0,0,3,1,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5606601717798212,0.35355339059327373,0.0,0.0,0.8933879543600907,0.15811388300841897,0.0,0.0,1.0606601717798212,0.35355339059327373,0.0,0.6697811566101117,0.15811388300841897,0.0,5.207106781186548,2.560660171779821,2.914213562373095,1.0606601717798212,0.0,0.0,0.0,0.0,0.867851130197758,0.5121320343559642,0.4163162231961564,0.35355339059327373,0.0,0.0,0.0,0.0,4.654320376686506,2.2842669695298,2.1659876502881983,0.8652206641949665,0.0,0.0,0.0,0.0,0.7757200627810844,0.45685339390596,0.3094268071840283,0.2884068880649888,0.0,0.0,0.0,0.0,8.965765927132102,17.657683903860157,16.70196078431373,16.960000000000004,10.271566467065865,139.58135688622755,0.49809810706289454,0.980982439103342,0.9278867102396516,0.9422222222222225,0.5706425815036592,7.754519827012642,1.1673,26.58879999999999,9.67021101873463,13.811127599682385,19.34042203746926,3.2234036729115427,9.670353541290893,0.1082116143433014,0.0180352690572169,-1.3341999461370708,17.71200313832473,2.9520005230541213,1.7245455318915728,24,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5541666666666667,0.0,8.82638888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5541666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1958333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.555555555555555,0.0,0.8263888888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-0.45833333333333326,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.82638888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5541666666666667,0.0,8.82638888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5541666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7986111111111112,0.0,0.8263888888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-0.45833333333333326,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.82638888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5541666666666667,0.0,8.82638888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5541666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9583333333333333,0.0,0.8263888888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.82638888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.75,2.4583333333333335,0.5541666666666667,8.82638888888889,0.25,-0.45833333333333326,2.6860277777777775,1.7083333333333333,2.8263888888888893,5.652777777777779,1.7083333333333333,2.8263888888888893,5.652777777777779,2.83333,0.47222,0.0,0.02778,0.47593,0.82778,0.42,0.47593,0.75238,0.05593,0.0,-0.05593,0.0754,0.57047,0.14382,0.0,0.64706,0.0,0.17647,2.75,0.45833,2.75,0.45833,0.0,0.0,-2.75,-0.45833,0.0,0.0,5.53157,0.92193,6.37132,0.83975,0.13996,2.29751,0.38292,2.56066,0.26315,0.04386,0.35334,0.05889,0.35334,0.05889,0.0,5.01,1,1,1,1,1,1,1.0,1.134969974603941,1.7916674843771045,2.362740278498934,2.8218881955261788,2.358563195365922,1.1908104171073732,20.429459542870937,32.25001471878788,42.52932501298081,50.793987519471216,42.45413751658659,21.43458750793272,0.2721799490905406,0.42966419869839256,0.5666145740467032,0.6767239685486266,0.5656128574375154,0.28557118334154463,3.034955026838371,2.3782575170652076,1.807184722943378,1.3480368059161334,1.8113618060763903,2.9791145843349387,0.27767101957476337,0.43833242134845685,0.5780456900193325,0.6903764768325021,0.5770237643663682,0.29133241410534966,10.258438165292631,15.106310133741125,17.364196337470027,17.826937101640745,12.26703709971766,1.2001285467271716,21.93297422770153,17.39589441047988,15.68588194885151,15.648288200654402,12.868338199692857,4.6940687518830195,6.0,1.6326530612244898,5.333333333333333,6,0,4,1.8999999999999997,0.8718000000000002,1.1447142425533319,1.8898815748423097,0.0,2.381101577952299,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.436,0.422,0.37000000000000005,0.184,2.7070000000000003,7.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.0,1.791759469228055,2.0794415416798357,1.3862943611198906,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.091042453358316,1.0,0.3333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.2,5.0,1.0,0,2.0,3.0,0.5,3.0,0.666666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6,0.09523809523809527,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6952380952380952,9.67021101873463,13.811127599682385,19.34042203746926,3.2234036729115427,9.670353541290893,0.1082116143433014,0.0180352690572169,-1.3341999461370708,17.71200313832473,2.9520005230541213,1.7245455318915728,20.23,103.82660853069451,3.584962500721156,3.2188758248682006,3.8066624897703196,4.634728988229636,5.25227342804663,6.0844994130751715,6.70808408385307,7.541683099882111,8.166500319155052,9.000483164987708,65.41379081186791,2.3978952727983707,0.0,3.6635616461296463,0.0,5.081404364984463,0.0,6.532334292222349,0.0,7.989899374942939,8.25608813381491,88.088815004,4.893823055777777,10.465990257669732,1.744331709611622,2.301776695296637,2.301776695296637,0.0,28.0,3.0,1.159,24.0,1.2164117647058823,2.107778964570621,2.8985183322603696,3.4039519520040433,3.9229958407330447,0.0,0.0,0.0,0.0,0.0,77.1582142681176,103.02310053535855,68.96703954397623,18.400567961301054,3.9860148459185805,0.0,0.0,0.0,0.0,0.0,263.9099389200393,335.0770224524089,345.84286455273934,205.10362625673417,121.94140011694836,0.0,0.0,0.0,0.0,0.0,9.180431627764705,15.577054796916363,22.152900285881863,23.876661076992256,26.356506328114694,0.0,0.0,0.0,0.0,0.0,1.9414475241259999,2.5425584459874937,2.9142674609551076,2.2400513370788966,1.7442145764588635,0.0,0.0,0.0,0.0,0.0,178.6200884726422,333.09649669602493,471.4568492571052,595.8817917259581,725.4311797692491,0.0,0.0,0.0,0.0,0.0,3.210566176470588,5.5002593634453865,8.416409052488701,5.524449544741175,3.9229958407330447,0.0,0.0,0.0,0.0,0.0,0.4253500941176471,0.5837260020937706,0.6914093859980333,0.5158555945595251,0.4017147740910637,0.0,0.0,0.0,0.0,0.0,318.2541023084691,175.8901800425446,14.422404157087517,142.91503407123272,-78.9851596294933,-14.638799513506797,175.33906823723638,254.8753396720379,29.061203670594313,0.6901027783577343,0.38140058856351156,0.03127356759020596,0.3098972216422657,-0.17127156480927458,-0.031742799677413794,146.76896951089398,81.11512242789057,6.651167669643073,65.90800283830606,-36.42551785314632,-6.750962529279529,0.38085566934961435,0.705334968523693,13.042376011370262,16.93345826495702,402.91652275590224,58.25261362379963,0.8736849259230619,0.12631507407693815,346.00617548590446,18.601241235087095,7.020390718357315,470.5945044495243,21.69319027827683,7.778256914879797,590.3183584647462,24.29646802448344,8.38871480792641,1.2677905082591658,1.1868763415216441,188.83150550218664,185.63543173133698,108.82666448935828,1.0172169382808085,1.7351584410698513,1.705789960598209,3.338653042810585,3.2201944036352645,5.261228038604414,0.6338231110100169,3.782243497388431,4.17687351891249,2.3141546473952057,14.708043673114318,7.081389670191262,5.662690314785626,4.02528801621211,6.6571124928705645,1.87696542695652,0.0066838722963393415,3.96215598587167E-24,4.530132448623586E-67,9.990014880796824E-132,4.2491031628307606E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3373225387461541,4.303721786593559,0.14623269289480875,5.701537680894807,0.9600591024706143,0.1155555866597345,0.2660075129176216,0.3211300845994386,0.01321962097279739,4.707505909184265E-5,2.790578857530843E-26,3.1906093243227646E-69,7.036049164186808E-134,2.9926781004949072E-220,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9694691941962622,4.067499341617128,0.503668185061518,6.457331797105403,1.5784870630258494,0.5955264880244691,0.7926538581956235,1.1931789749334012,0.13775864291687914,4.905584107983382E-4,2.9079983243079734E-25,3.324860913216263E-68,7.332105711324666E-133,3.118601317410064E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.793087397781851,4.303405948918659,2.15133862554545,14.641286745819727,6.860897169641545,5.125938319865757,3.743024770693837,6.120200286665716,1.6723424033915828,0.005955209882659649,3.530209650568121E-24,4.036266453291713E-67,8.900923403132858E-132,3.785874419172986E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.361918398890022,3.97774436941222,0.7742990477584782,7.213191391523447,2.113480787354137,1.1101770586400914,1.217275311634959,1.9168940724756158,0.2992301806380313,0.0010655584199201088,6.316560946406312E-25,7.222042193457083E-68,1.5926313369557217E-132,6.774018789591803E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.748236974680278,4.257120447637198,2.9511738538643244,18.13413085815952,9.550250371761294,8.045150069693092,5.297865916772817,8.814266717687723,2.737377675052621,0.009747799583379676,5.778432135742333E-24,6.606772427344681E-67,1.4569497826330704E-131,6.196917625590147E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.311979175022257,3.995746894865769,0.9499927225299241,13.826654120111392,5.3991607337179195,2.2854477254961063,2.2397015175013846,3.338539130420179,0.6128866700271673,0.0021824889130903974,1.2937652198764635E-24,1.4792269219995382E-67,3.262045675362228E-132,1.3874622572508605E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3042175992708125,1.2017210883055613,0.7614380415875741,0.5399611390115651,0.2816065148625861,0.49022725552455093,0.47234568561597007,0.38670138777941915,4.267376729163948,5.438581969282812,11.814401103886173,0.30994170851734765,1.3492743289199403,1.5190061221226319,0.6537528495563161,0.6244609689233904,0.5430413604857748,0.2337152113306973,0.2195543883711757,0.2213003516607691,0.15494377638307835,2.7972199406023384,2.349857753522785,5.767201519864761,0.3145620407286622,0.5957985164150231,1.9185759157935645,0.9041924199081608,0.5743242014721369,0.5647699892772666,0.2661665556689204,0.3408427314060715,0.26528567613202475,0.2199929411013879,3.397092537173862,3.355945970421625,7.749354193170168,0.3471549839158999,0.8261213486394842,2.244851544328129,1.1671123420030665,0.7929124792339797,0.5338686204217088,0.2775616309580117,0.4652409054935728,0.4477762610771898,0.42199390969407635,4.204876365565175,5.325382687517675,11.607684946282513,0.3008029306325632,1.335011076264839,2.087298240592414,1.0202278211734546,0.5735305923814739,0.5670377928687171,0.2771562399138825,0.4027090918306833,0.33729964421564196,0.21803521242200818,3.681056654147343,3.911780999184231,8.814182369087291,0.3505566893030758,0.9580439484683334,2.338316321892852,1.231345940282508,0.7962240919653749,0.5355879957056427,0.2820380194080552,0.5047910713011576,0.49709244614950465,0.4234200555978876,4.365886354140735,5.721527403382733,12.379962923017683,0.3033819935584641,1.4253035730485497,2.2556538929992307,1.1715856321909983,0.789798616443052,0.53489055997146,0.27782191975556497,0.4696655283436316,0.4509276174732418,0.4184720585201429,4.217038141633282,5.349520727447775,11.653753111292694,0.30233583995719,1.3390652043370164 +UMLCN0056,L,undecan-1-ol,CCCCCCCCCCCO,Alcohols,,C11H24O,NREL (2014),CFR,PubChem,,53,0,-2.9894000000000016,8.936512360000009,39.3799,36.16503199999997,0,0,36,12,24,0,11,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1867.2588679999974,1929.395214999999,2044.5015899999973,1883.3071009999949,1686.5503719999954,1489.7936429999959,1293.0369139999964,1096.2801849999971,899.5234560000002,5621.086562549305,7258.854326716512,9501.435444234605,9582.568154362054,8575.769809406902,7568.971464451767,6562.173119496646,5555.374774541525,4548.576429586405,257.54052800000017,258.615748,483.12144000000006,655.3827800000007,592.4978800000001,529.6129799999998,466.7280799999997,403.84317999999985,340.95828,41.99181371637604,55.37462711600001,80.05780475503695,86.59772756535583,77.57619870595991,68.55466984656404,59.533140987168096,50.51161212777208,41.49008326837606,6018.212851374477,5128.289763407851,10499.93756687434,15493.10023268446,14014.145077645862,12535.189922607267,11056.23476756867,9577.279612530074,8098.324457491478,86.5,74.25,119.0,141.75,129.5,117.25,105.0,92.75,80.5,51.868301888888816,55.12557757142854,30.514949104477573,20.250613989247256,20.077980619047565,19.863915239999944,19.59146839393934,19.232985701754334,18.740072000000005,156.14129340414738,207.39583790618607,141.8124693169344,103.03836725120487,102.09249773103454,100.91961952602357,99.42686544691888,97.46271534283377,94.76200894971676,7.15390355555556,7.389021371428571,7.210767761194031,7.047126666666674,7.053546190476192,7.061506399999997,7.071637575757571,7.084968070175436,7.1032975,1.1664392698993344,1.5821322033142862,1.1948926082841336,0.9311583609178046,0.9235261750709514,0.9140622646208538,0.9020172876843651,0.8861686338205629,0.8643767347578346,167.17257920484658,146.52256466879575,156.71548607275133,166.592475620263,166.83506044816502,167.13586563476358,167.51870859952533,168.02244934263288,168.7150928644058,2.4027777777777777,2.1214285714285714,1.7761194029850746,1.5241935483870968,1.5416666666666667,1.5633333333333332,1.5909090909090908,1.6271929824561404,1.6770833333333333,0.2511915405799647,-0.10049999045472319,-0.04463588153081394,0.015331400014262392,0.0013317078518490424,4.766423118636627E-5,-2.961898487724435E-7,-1.396150710639317E-5,-1.1281677077432627E-4,1042.4970528888882,-67.26263941975465,-494.8805634321003,4.6914758148153375,4.581030370371057,4.470584925926605,4.360139481482097,4.249694037037475,4.139248592592967,1717.0918558778255,-74.94695690683622,-829.2914562473154,-10.183646392075584,-10.422873298756226,-10.662100205436868,-10.90132711211751,-11.140554018798138,-11.37978092547878,1.1777328888888885,-0.07551008641975057,-0.19340643209876357,0.005994481481479776,2.6903703703563646E-4,-0.005456407407408503,-0.011181851851852642,-0.01690729629629678,-0.02263274074074089,7.6228449330142185,-0.2107994942044702,-3.4700643064374495,-0.10547392696296697,-0.11070603807407785,-0.11593814918518873,-0.12117026029630006,-0.12640237140741095,-0.13163448251852228,41.78952810735584,-0.9550351844844565,-18.475524462348837,-0.6768686224733409,-0.7154726854073539,-0.7540767483413704,-0.7926808112753869,-0.8312848742093999,-0.869888937143412,25.138888888888882,-1.8711419753086422,-3.1057098765432096,-0.011574074074072321,-0.18518518518518323,-0.3587962962962946,-0.5324074074074063,-0.7060185185185177,-0.8796296296296293,0.0069775427938879074,-0.0028714282987063766,-6.662071870270737E-4,1.6485376359421926E-4,1.585366490296479E-5,6.355230824848837E-7,-4.487724981400659E-9,-2.4493872116479247E-7,-2.3503493911317974E-6,28.958251469135785,-1.9217896977072757,-7.38627706615075,0.05044597650339073,0.05453607583775068,0.05960779901235474,0.06606271941639541,0.07455603573749957,0.08623434567902015,47.69699599660626,-2.141341625909606,-12.377484421601723,-0.10950157410833962,-0.12408182498519317,-0.14216133607249157,-0.16517162291087137,-0.19544831611926558,-0.23707876928080793,0.032714802469135794,-0.002157431040564302,-0.0028866631656531876,6.445679012343845E-5,3.2028218694718627E-6,-7.27520987654467E-5,-1.6942199775534306E-4,-2.9661923326836456E-4,-4.7151543209876854E-4,0.2117456925837283,-0.006022842691556291,-0.051792004573693276,-0.0011341282469136233,-0.001317929024691403,-0.0015458419891358497,-0.001835913034792425,-0.0022175854632879113,-0.0027423850524692143,1.160820225204329,-0.027286719556698757,-0.2757540964529677,-0.0072781572308961385,-0.008517531969135165,-0.010054356644551605,-0.012010315322354347,-0.01458394516156842,-0.01812268619048775,0.6983024691358023,-0.053461199294532635,-0.046353878754376264,-1.244524093986271E-4,-0.002204585537918848,-0.004783950617283928,-0.008066778900112218,-0.012386289798570486,-0.018325617283950612,-0.41152428348008857,-0.0954787676272869,0.023626335009887093,0.002272098555504678,9.10812160179914E-5,-6.431669591953996E-7,-3.510386512847338E-5,-3.3684485506711964E-4,-0.06636414839326722,-0.2550664039237029,0.0017420242571329605,0.0018832654967402363,0.0020584046338531794,0.002281308990178714,0.0025746041958701377,0.0029778851036959273,-0.04489468531858834,-0.25950238925911406,-0.002295775065501628,-0.002601459953453292,-0.002980509214513355,-0.003462935546771618,-0.004097707036585116,-0.004970517835078682,-0.0659466320360544,-0.08823721825545361,0.0019702637723168,9.790130545625359E-5,-0.002223828153450824,-0.005178756555696195,-0.009066820242861156,-0.01441290781271296,-0.02844375542220177,-0.2445953159269756,-0.005356086506766447,-0.006224112559788051,-0.00730046486553484,-0.008670367800121695,-0.010472871661420151,-0.012951314470705574,-0.02350641293478128,-0.23755107850953336,-0.006269840129306007,-0.00733751168716577,-0.008661424418911916,-0.010346404259316103,-0.01256348299668998,-0.015611966260579042,-0.07655880031570643,-0.06638080316648802,-1.78221350917813E-4,-0.0031570639305445614,-0.006850828729281738,-0.011551983927674515,-0.017737714451875528,-0.026243093922651933,1.389709745495654,0.8606193457003243,0.6200830337612159,0.6861567462384599,0.7472058069459642,0.8223269628603663,0.9210867628735395,1.057129272885632,1.450916539100485,1.3905675442431464,0.9143964514478607,0.9155918393453724,0.9170741203382872,0.9189606597838148,0.9214429485279299,0.9248560955510885,1.54209177152644,1.4689202318133356,0.9595696333981323,0.9531225747685608,0.945128222067892,0.9349535913579501,0.9215659193711844,0.9031578703893817,1.060417019667542,0.9040126018207632,0.6361210188059633,0.6874960139990243,0.7512010080384197,0.8322800913612869,0.9389630957334801,1.0856522267452462,1.568932839023251,1.4754287025372927,0.9635678075362794,0.9567843944255876,0.9483729621683294,0.9376675029318188,0.923581372357463,0.9042129428177234,1.5709481211892964,1.4698663867638022,0.9604692131381974,0.954359830125357,0.9467841951894346,0.9371424779982607,0.924456008009874,0.9070121117758421,1.0640883977900555,0.8571781974107366,0.6100516841917664,0.6671270718232046,0.7379005524861881,0.8279758915118034,0.9464960744402446,1.109461325966851,97.94489683407602,49.09744841703798,78.32640845286382,98.1532301674093,8.179435847284108,49.09744841703798,0.24999999999995026,0.01573636600054179,0.0013113638333784826,-4.982137127234078,68.51606117409548,5.709671764507957,5.072481824975138,97.94872549348963,49.098995536294176,78.32829281798809,98.15644680940522,8.17970390078377,49.098995536294176,0.2492655790987186,0.0156909019630439,0.0013075751635869919,-4.985609072878169,68.51640692072016,5.7097005767266795,5.072487880415216,101.38869664147646,50.494851081709236,80.04979221008341,101.05620124309479,8.421350103591234,50.494851081709236,-0.39899447805799326,0.026254985748507542,0.0021879154790422953,-4.367879249643682,69.50288758646658,5.791907298872215,5.089641959657239,97.95274387009302,49.10061933515596,78.33027063061468,98.15982287027543,8.17998523918962,49.10061933515596,0.24849480021890713,0.015643182456382743,0.0013035985380318953,-4.989264099238434,68.51677143088908,5.70973095257409,5.072494264448746,105.13064795887485,52.02417684726785,81.99139451985786,104.22873607192554,8.685728005993797,52.02417684726785,-1.08229426433914,0.07480450102852088,0.006233708419043406,-3.111452665960815,72.65576411094638,6.054647009245532,5.142879273232937,98.34649749624856,49.25981584106341,78.52444011967438,98.49077598448044,8.20756466537337,49.25981584106341,0.17313418587824714,0.010953939709442473,9.128283091202061E-4,-5.416867315934591,68.56066484309127,5.713388736924273,5.073262765784555,100.33304543589641,50.416254576367564,81.11321177282566,100.77748988034082,8.398124156695069,50.416254576367564,0.6666666666666146,0.030003413188901373,0.0025002844324084478,-4.207732956993907,67.89383021864207,5.657819184886839,5.061534197677539,0,11.996233084463434,15.997943822564686,-0.42172365715971805,0.06974795692461419,3.944438107501954,7.499603277960707,11.0,35.0,35.0,35.0,11.0,0.0,0.0,0.0,0.0,0.0,26.236967999999994,3.5265799499939714,3.3898668542759127,3.1724623955265514,2.8902396128706473,2.5653847626756257,2.22534997220194,1.8999677843748564,1.616010435436958,1.936040186242512,1.8300087934912967,1.6652819692195002,1.4604314152060498,1.2402091577474126,1.0305263718029483,0.8511333473564997,0.7108849241758205,3.5519492076441557,3.4097116493559696,3.1854063743718495,2.897742208806914,2.5718339669391685,2.2373519730958806,1.9246753228146947,1.6586811605991787,1.878143081065843,1.7709363673102438,1.60338700132522,1.3926901013175832,1.1623497279497716,0.9384517730724058,0.7428940590073445,0.5873641565349181,3.6778446460482144,3.5536623993958867,3.3579032219510205,3.1075867444496845,2.8262773610211207,2.5420653903775485,2.2826134365048434,2.0679768866867865,1.6998872596021493,1.5713669593262063,1.370385502202686,1.1164365474279092,0.8355246790670718,0.5571608401291815,0.3084347284537625,0.1068726648994644,3.5721636428026695,3.4301809567716712,3.206725942484847,2.9211330311013928,2.599306218311532,2.271611660835056,1.9685140627854505,1.713883544474401,1.8413859391677725,1.7339054537013279,1.5648121863888065,1.3501505267186282,1.1126768085400154,0.8787756929692333,0.6719028150252786,0.5057881315966882,3.7367069069828673,3.616136461456559,3.42705444771538,3.1872760724597824,2.921032046539139,2.6562945854572626,2.4190379448891637,2.226164746008042,1.6445453461410426,1.5115637718861425,1.3028686242425485,1.0375178903546263,0.7410591931401975,0.44308514934636983,0.17213766853604884,0.051359623813586955,4.5175900446667585,3.59255666644317,3.4489158523369365,3.2137591557416947,2.912825158508946,2.5834439025511915,2.2653485864693454,1.9909675236073066,1.786596675200439,1.647522414978885,1.4368118034860577,1.1826095076701157,0.9164157755377608,0.666164258498056,0.45180480753538366,0.28344428545119843,0,0,0,0,0,2,9,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.071067811865477,5.914213562373096,3.8284271247461907,2.457106781186548,1.5606601717798214,0.9785533905932737,0.6035533905932737,0.36427669529663687,0.7559223176554565,0.5376557783975542,0.3828427124746191,0.2730118645762831,0.19508252147247768,0.13979334151332481,0.10059223176554562,0.07285533905932737,8.518281407365436,5.523334547203386,3.55203392249617,2.261667273601693,1.422463570654811,0.8808336368008464,0.5344550900307685,0.3154168184004232,0.7098567839471196,0.5021213224730351,0.355203392249617,0.25129636373352143,0.17780794633185137,0.1258333766858352,0.08907584833846142,0.06308336368008463,18.216732749847335,34.98470502549163,33.05490196078432,33.51999999999999,21.062893413173665,277.75088742514976,0.506020354162426,0.971797361819212,0.9181917211328978,0.9311111111111108,0.5850803725881574,7.715302428476382,3.509500000000003,54.31280000000004,49.62873849166897,78.97647876215954,99.25747698333791,8.271456415278161,49.62873849166897,0.0,0.0,0.0,68.7263116082826,5.72719263402355,5.076158542497369,182,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6350233615790974,0.0,8.53892265067184,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6350233615790974,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.7649766384209027,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2512383192104513,0.0,12.209839030117708,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.53892265067184,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6350233615790974,0.0,8.53892265067184,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6350233615790974,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20694444444444446,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2512383192104513,0.0,0.3708677685950412,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.53892265067184,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6350233615790974,0.0,8.53892265067184,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6350233615790974,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2512383192104513,0.0,1.4131944444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.53892265067184,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.0,1.9166666666666667,0.6350233615790974,8.53892265067184,0.20694444444444446,0.3708677685950412,6.85767736641565,1.1291322314049588,2.538922650671839,5.5803219397645805,1.1291322314049588,2.538922650671839,5.5803219397645805,5.83333,0.48611,0.0,0.01389,0.45463,0.76389,0.42632,0.45463,0.72821,0.02831,0.0,-0.02831,0.03568,0.63636,0.07793,0.0,0.14286,0.0,0.0,5.75,0.47917,5.75,0.47917,0.0,0.0,-5.75,-0.47917,0.0,0.0,12.9507,1.07922,13.87794,0.92724,0.07727,5.57596,0.46466,5.91421,0.33826,0.02819,-2.1E-4,-2.0E-5,-2.1E-4,-2.0E-5,0.0,11.01,1,1,1,1,1,1,1.0,1.0562347841557007,1.4873902791564206,2.351452168594303,2.935969879565362,3.08005574089017,2.969508133005078,38.024452229605224,53.54605004963114,84.65227806939491,105.69491566435303,110.88200667204612,106.9022927881828,0.20430369567470147,0.2877005524725149,0.4548329362492284,0.5678940949329596,0.5957641049011141,0.5743812786794085,4.113690217286612,3.6825347222858915,2.818472832848009,2.2339551218769502,2.0898692605521423,2.2004168684372343,0.2059225004091899,0.28998015399866156,0.45843681481916804,0.5723938160296805,0.6004846546222888,0.5789324011163135,8.961849776231377,12.304549126755088,15.886116126958125,17.478841060950188,17.62405439875061,16.50900839906821,45.00322212064904,39.51373544553089,34.39298585830445,30.82619400400912,30.860561406216135,33.7575160485938,12.0,11.0,11.11111111111111,12,0,11,2.56,1.7172000000000016,0.0,2.2081252132060087,0.0,0.0,15.159595654909138,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.385,0.375,0.449,0.20500000000000002,6.1129999999999995,10.0,9.0,8.0,7.0,6.0,5.0,4.0,3.0,2.0,77.0,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,4.356708826689592,1.0,0.45454545454545453,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,0.8181818181818182,11.0,1.0,0,6.0,11.0,0.8333333333333334,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.045454545454545456,0.022222222222222233,0.013888888888888888,0.010000000000000002,0.007936507936507936,0.006802721088435375,0.00625,0.006172839506172837,0.006666666666666668,0.008264462809917356,0.13365885457335677,49.62873849166897,78.97647876215954,99.25747698333791,8.271456415278161,49.62873849166897,0.0,0.0,0.0,68.7263116082826,5.72719263402355,5.076158542497369,20.23,207.60251628589458,4.584962500721156,3.7612001156935624,4.394449154672439,5.043425116919247,5.6937321388027,6.35088571671474,7.007600613951853,7.668093709082406,8.327726166461412,8.989818381366925,80.23693111366529,3.1354942159291497,0.0,4.143134726391533,0.0,5.2832037287379885,0.0,6.484635235635252,0.0,7.720017940432244,8.070593539949519,172.182715388,4.782853205222222,22.82859467638218,1.902382889698515,2.4138090569410897,2.4138090569410897,0.0,286.0,9.0,4.833999999999999,42.0,1.2335142857142856,2.1373977784991003,2.853611330808199,3.5780349493851884,4.919868389452055,5.924492874545581,7.2457509753728955,8.336135970576976,9.632882350948206,10.745722534467156,79.76221278811424,72.69924087092778,70.96728917127042,94.04392590505704,117.30809493081685,139.42533166157293,160.5261883713578,179.18285786424744,194.28884479455277,202.03409623328108,282.542533087734,323.4748761306618,325.1399396132427,434.4113154582566,550.0892434278252,659.3521904251345,764.7012254290154,856.5421402923331,930.0424981412789,963.195670824829,9.14387616777143,15.45997982481526,20.175352742557383,25.501400007100745,34.919997238046705,42.18340511418881,51.56833818208622,59.53205041488523,68.9693526721428,77.46407315267018,2.096059254700056,2.676151549330793,2.8290255601270315,3.7422733265643893,4.817742984136424,5.782500635218361,6.772378430945052,7.613073310103345,8.344391505273467,8.71897534394728,178.29408792110942,331.68285086085785,471.7878129658522,582.542153660432,813.0283695888099,978.1162966353884,1206.6598731387865,1392.8506303491324,1624.3535009082266,1829.726927370869,2.6785071428571423,3.8792454021215477,4.483865842500615,5.96479760256975,8.02008802248109,9.938287537768089,12.231824253368535,14.583467373291287,17.43871729680396,20.86323702221909,0.4450433314285715,0.5784245817870841,0.618289232283693,0.8189355183271352,1.0607364625008422,1.2793988563884688,1.5098923964029385,1.7136670685235587,1.9067078364144214,2.0439464581424813,524.3301449130392,480.9300627669999,18.839627366563857,200.43550116335945,-183.84496693627415,-24.58762646883057,323.8946437496798,664.7750297032741,43.427253835394424,0.7234478451780381,0.6635663063923759,0.025994095427334784,0.2765521548219619,-0.2536612599280054,-0.03392493366916393,380.0164762352307,348.56158765888773,13.654314700166257,145.26876549730898,-133.24451623946288,-17.82026698316715,0.22864941683111684,0.43141498141096857,4.906447632748405,16.59866817705031,664.8323131078521,59.93333296854671,0.9173066034614049,0.08269339653859509,718.4955903628041,26.804768052770093,8.956562669444095,959.3283523078752,30.97302620519789,9.862547169412267,1170.8876884960628,34.21823619791153,10.539946663852508,3.883069123951961,3.883069123951961,3321.748938721652,3285.157027528066,73.25509054774739,1.0111385577270624,45.34495710651738,44.84544354479793,5.8199409749546644,7.3338570360165,14.186656200162393,0.9344058836287458,7.129050138621153,9.867974147739172,5.375182021337802,44.329209726999935,17.22053889819978,0.09387115115337225,8.393401909425158,5.757572668639527,29.76506694019583,0.8832240546296279,2.038617670992809,26.353107682123422,4.364841131859488,26.93280747397003,1.3544928493866155,1.6070100184562777,10.414632514039301,4.42461209244474,16.479895019526037,2.1435606699931156,3.090391400773936,3.072573496112906,5.069015575075099,2.769062572133952,2.0752675144940818,0.8638734840206683,1.6550491578404873,1.0887757115879845E-4,3.7258730639748055E-29,2.459198534618788E-75,0.618196828518011,9.994572978072682,0.45579141921830907,9.39140591363749,0.12443973543692624,0.02383482993759648,1.1989238348730444,0.19425115031797652,7.773301511076427,0.02475615801333376,0.2254591861786772,1.7610831534972358,0.12871449266611174,5.737012184814567,0.05720084052051098,0.4282660068201165,0.4103512514883755,0.11428876533590958,3.222116340301696,0.09314002323321267,0.6494342366404687,0.07485941980993267,0.12063679570222763,0.8728728562969071,0.1201149938817021,0.7574550901642969,0.01808439888900172,1.2171201710010039E-5,4.165077545215638E-30,2.7490879103757835E-76,1.8761656402595919,9.758367673466532,1.2274025475216401,11.738717025319943,1.2719934208351606,0.019084983080554487,2.4536875638373616,0.8174420743083481,10.438515344777512,0.1124450324149878,0.3886690458343275,5.886679634156793,0.57202521425276,8.914511974941984,0.22186253247072008,0.5075114915197759,1.6176435227901511,0.538214481769572,5.273781202941418,0.3578321440223513,0.7324867624703202,0.360404043215534,0.5900405144207461,1.2183784369510056,0.42335928316031923,0.4625250805732634,0.128850751251698,2.1084034327627092E-5,7.215116467938923E-30,4.762213725587959E-76,6.952199857387255,9.994479358854571,5.550932028442954,40.74525966595622,15.345362139752892,0.09145779662794065,8.567476001003133,5.235722403899616,28.477532045537785,0.7996995489014672,1.9091213591047853,24.57764416416825,3.956447971059978,25.62813213218192,1.239646192598875,1.6009177992069084,9.508420917298533,3.9994710337915342,15.644486560411506,1.963611025793817,3.0038128269046904,2.773694831648226,4.574849906237774,2.7474838658252323,1.9216685335803698,1.0791019075409942,1.4970208227424155,1.3675427084272856E-4,4.67983487278326E-29,3.088844644945831E-75,2.69822213585735,9.668634496117805,1.6843618768144335,14.729529290291168,2.7551782617906224,0.02192315792306626,3.2035613881421474,1.3973859045815507,12.645885960383067,0.19863394293383757,0.5649541742568884,8.972511710572922,1.0014588756563325,11.345409653766696,0.3646322300673424,0.6158217000186029,2.6938826909942604,0.9645941017855642,6.830070665978828,0.5852139938961441,0.9199157626895533,0.6532990367156956,1.0728079110346223,1.4440486492532856,0.6599849297303665,0.35339594451539275,0.2658355075717056,2.087713415044072E-5,7.144313652384295E-30,4.715481543017823E-76,8.789990688418461,9.948335422406888,7.032221842008528,60.39000456942525,25.104250151573694,0.1311540245643501,10.567639867496341,7.895575817349829,37.97726694826322,1.2276414914939429,2.7326537964053665,33.4696227505255,6.046210066354809,33.756885447362535,1.8199434439745452,1.9921228670909148,14.111444332631708,6.181885218955489,20.626990353731234,2.8716279813608043,4.100527237102358,4.310638995174082,7.115960207698755,3.2784846464991824,2.6824755845710406,1.0875773030118108,2.4138626882588916,1.5901665409392456E-4,5.441670510350573E-29,3.5916811751649337E-75,5.998269221210263,10.675293302285006,6.3415233280592,25.184184782082504,7.218787591659514,0.09772864982093062,9.259801140906582,2.829131015753102,22.65033308482804,0.4202646820531742,1.3952224067107588,15.838928528054675,2.094267556480148,19.533384186128053,0.6968859836362108,1.734488564428971,5.378064865272396,2.0788616918179645,11.984113831754504,1.1099856936740604,2.940429122990359,1.4537850836701642,2.353587338987613,3.1348565287163654,1.1561574022554302,3.2890730564727404,0.8214087743315883,2.73512514004216E-4,9.359805690123561E-29,6.177779017762077E-75,18.431147729932068,0.8214228531033174,0.5052571708333333,0.9328529410994143,0.04157455279680112,0.5594684563463325,0.6892538798560988,0.6111032377029176,19.757827753868717,24.86726529834305,52.27456836535492,0.8992794116491214,1.8598255739053489,19.19856299821784,0.31909848439137634,0.10640450006499824,0.978317287312831,0.01626056927616853,0.6070082131301571,0.10397179693348826,0.027102515653043585,19.624065982674214,8.202999367718576,28.478924041432382,0.9674759309692464,0.7380825257166889,17.93277402597403,0.5283066501959606,0.2705053077092381,0.9573548145580052,0.02820405333806927,0.5296951734929148,0.28522649661734994,0.17516252413241787,18.73158598387923,14.467824083335902,35.76217837344322,0.9360322218370077,0.9900841942426827,18.738516243490952,0.8023500154434862,0.4907623467210726,0.9354464688008703,0.04005415791389819,0.578261502105545,0.65726396232904,0.5765435020959162,20.031628605655513,24.624770179550275,52.03493646359124,0.9031697032013056,1.8120689665305012,17.63708530351652,0.6222066142648401,0.3448033823995653,0.9480216596904338,0.03344460476176926,0.5123940714518648,0.39555210434877713,0.284598526829622,18.604095300180926,17.26977674567324,39.65771372238938,0.9220324895356509,1.192544702630264,18.594990244015033,0.8560477742875459,0.5332516961814553,0.9304804178523254,0.04283603703298532,0.5694434552232113,0.7483186639573903,0.6806974189960695,19.984289714484035,26.29049902703752,54.76319589769638,0.8957206267784882,1.998459538176671,18.79253142020965,0.8043663156836144,0.49252313257654634,0.9354441595528709,0.04003929834264466,0.5815954399860053,0.660475280546922,0.5806880367891996,20.089420868469812,24.768004722506973,52.30244430080235,0.9031662393293064,1.8227587573221267 +UMLCN0057,L,cyclopentanol,C1CCC(C1)O,Alcohols,Cyclic,C5H10O,Marquardt (2015),IQT,PubChem,,9.8,0,-1.662700000000001,2.7645712900000032,17.608900000000002,16.269930000000002,0,0,16,6,10,0,5,0,1,0,0,0.0,0.0,0.0,0.0,0.0,987.4492460000001,1038.5753779999998,1355.874502999999,708.2507939999999,109.043424,4.064256,0.0,0.0,0.0,2644.81273002031,3534.9571887826055,5109.3878322873325,3756.669509389701,1179.2026438615087,124.33497772372105,0.0,0.0,0.0,118.23893599999997,121.26632000000001,229.35038000000017,314.51896800000003,186.48921600000006,26.873856,0.0,0.0,0.0,19.033833048489992,25.840506776000005,40.09374149539603,34.647057526433,13.258418660980007,1.7784516193959998,0.0,0.0,0.0,2668.5995864949905,2350.6023149772504,4774.8417286182475,7253.474802284834,4745.335242695381,739.6706080969959,0.0,0.0,0.0,56.77777777777778,38.08333333333333,66.41666666666669,88.33333333333334,47.0,4.0,0.0,0.0,0.0,61.71557787500001,64.91096112499999,43.73788719354836,16.470948697674416,4.193977846153846,1.016064,0.0,0.0,0.0,165.30079562626938,220.93482429891284,164.81896233184943,87.36440719510932,45.35394784082726,31.083744430930263,0.0,0.0,0.0,7.389933499999998,7.5791450000000005,7.398399354838715,7.314394604651164,7.172662153846156,6.718464,0.0,0.0,0.0,1.1896145655306245,1.6150316735000003,1.293346499851485,0.8057455238705349,0.5099391792684618,0.44461290484899996,0.0,0.0,0.0,166.7874741559369,146.91264468607815,154.0271525360725,168.68546051825197,182.51289394982234,184.91765202424898,0.0,0.0,0.0,3.548611111111111,2.380208333333333,2.1424731182795704,2.054263565891473,1.8076923076923077,1.0,0.0,0.0,0.0,0.21756610708589078,-0.10682968311081484,-8.098323331785988E-4,-8.68796888563882E-4,-0.0226991738020551,0.022424432591667025,0.0,0.0,0.0,523.7576237500001,-17.448995499999633,-160.50043564062457,-299.59708370312535,139.09207740624956,76.57562556249988,0.0,0.0,0.0,766.4429153884305,30.87111306304367,-333.2435006882722,-560.7736447161486,369.26422165915267,110.66035298800904,0.0,0.0,0.0,1.0366599999999992,-0.10396599999999871,-0.059326249999999275,-0.22668324999999978,-0.18079550000000083,0.05244099999999923,0.0,0.0,0.0,3.391946473183749,0.27945487849999895,-1.6264687678056418,-2.6384728812077043,1.8748995629439071,0.41461397097756275,0.0,0.0,0.0,18.82152525496499,1.7198471804375237,-9.091355505388023,-14.648040637857285,10.480430679893079,2.128355655432241,0.0,0.0,0.0,22.749999999999986,-2.75,-0.8489583333333328,-4.453124999999995,-4.163194444444439,0.8402777777777775,0.0,0.0,0.0,0.013597881692868173,-0.006676855194425927,-2.612362365092254E-5,-2.020457880381121E-5,-8.730451462328885E-4,0.005606108147916756,0.0,0.0,0.0,32.73485148437501,-1.090562218749977,-5.177433407762083,-6.9673740396075665,5.349695284855752,19.14390639062497,0.0,0.0,0.0,47.902682211776906,1.9294445664402293,-10.749790344782975,-13.04124755153834,14.202470063813564,27.66508824700226,0.0,0.0,0.0,0.06479124999999995,-0.0064978749999999195,-0.0019137499999999767,-0.0052717034883720875,-0.006953673076923109,0.013110249999999808,0.0,0.0,0.0,0.2119966545739843,0.017465929906249934,-0.052466734445343284,-0.0613598344466908,0.07211152165168874,0.10365349274439069,0.0,0.0,0.0,1.1763453284353118,0.10749044877734523,-0.2932695324318717,-0.34065210785714617,0.40309348768819536,0.5320889138580602,0.0,0.0,0.0,1.4218749999999991,-0.171875,-0.027385752688172026,-0.10356104651162779,-0.16012286324786304,0.21006944444444436,0.0,0.0,0.0,-0.49102171538437556,-0.001921153915070748,-0.0014858622291447146,-0.06420449640261128,0.4122780499595795,0.0,0.0,0.0,-0.033315019598317834,-0.15816272788753524,-0.21284269589349541,0.16342506662690276,0.5848172673018766,0.0,0.0,0.0,0.04027842445043451,-0.2244089443104322,-0.2722446207476069,0.2964859045058207,0.5775269143530501,0.0,0.0,0.0,-0.10028939092855786,-0.029537167441590927,-0.08136443560468569,-0.10732426179342294,0.20234599579418236,0.0,0.0,0.0,0.08238776192647197,-0.2474885018859249,-0.2894377487701201,0.3401540547731742,0.4889392851631857,0.0,0.0,0.0,0.0913766104042944,-0.24930564634617736,-0.2895851240470828,0.3426659484629065,0.45232373606295173,0.0,0.0,0.0,-0.12087912087912095,-0.01926030958289023,-0.07283414260158443,-0.112613881844651,0.14774114774114777,0.0,0.0,0.0,1.322831357734268,0.6646705992962929,0.9303910614311448,1.2916619428913882,1.1599708853378354,0.0,0.0,0.0,1.1905211306959995,1.1810402603663883,1.1162790697674423,0.6284389937502298,0.0,0.0,0.0,0.0,1.3112783413634974,1.398300420812251,1.1162790697674418,0.2950859035770871,0.0,0.0,0.0,0.0,0.9792952848571379,0.7532043043944483,1.1162790697674425,1.2685362310022281,0.0,0.0,0.0,0.0,1.3583908753887006,1.4726906884235211,1.1162790697674423,0.1773974866404486,0.0,0.0,0.0,0.0,1.3638369902735488,1.47809953114693,1.116279069767442,0.1675970265410914,0.0,0.0,0.0,0.0,1.0084706959706966,0.7402812241521924,1.1112530879972748,1.2743026204564674,0.0,0.0,0.0,0.0,16.562676637141433,8.406338318570715,12.280718818471419,16.729343303808097,2.7882238839680165,8.406981595111658,0.24999999999999645,0.007350371538114242,0.0012250619230190403,-2.9478026505790034,54.0600620507272,9.010010341787867,2.394057413195902,16.56583385319059,8.407549716144638,12.2826744758727,16.732010905923048,2.7886684843205076,8.408192098897862,0.2492655790986884,0.0071791796137334885,0.001196529935622248,-2.9619420974255193,54.26752226303569,9.04458704383928,2.3963555587763383,19.389909888384466,9.495457705163222,14.293271246038014,19.123913569679118,3.1873189282798533,9.495655702530811,-0.3989944780580217,0.14881341273177906,0.02480223545529651,-1.1430372127913873,29.90623337896056,4.98437222982676,2.038840159728984,16.5691474991094,8.408821149664169,12.284727703630443,16.73481069925536,2.78913511654256,8.409462595853565,0.2484948002189391,0.006999457794819697,0.0011665762991366162,-2.977153554485845,54.487995160829946,9.08133252680499,2.398788243076409,22.41888679273758,10.668296264199212,16.914747378261524,21.697357283178142,3.616226213863024,10.668355926176153,-1.082294264339156,0.2715059117832861,0.04525098529721435,-0.7822628191926808,42.25819496828823,7.043032494714705,2.246278979244669,16.893752052802398,8.533443119340347,12.489252081966143,17.009174843387928,2.834862473897988,8.53399984314071,0.17313418587829865,0.010825248930128484,0.001804208155021414,-2.715524405701896,132.72018503500453,22.120030839167423,2.932945824034176,14.752105813346622,7.715735902369039,11.282341487088141,15.183323656589929,2.530553942764988,7.717288905112867,0.7444444444444454,0.07945128177023109,0.013241880295038514,-1.5195667518521954,31.83531332593924,5.305885554323207,2.0763456933629514,0,11.996400566196215,15.997942234108704,-0.4180772651468019,0.08025552068395005,4.479452839375215,6.667060696493645,6.0,16.0,16.0,16.0,6.0,0.0,0.0,0.0,0.0,0.0,10.932069999999998,3.6139769118949774,2.660715670779028,2.459820994687676,1.7723230060512873,1.1900601602723193,0.8685978297741024,0.08392307051869155,0.08392307051869127,1.7241710785035245,1.6868634522255137,0.7578639354190903,0.7507959357905734,0.5259552607237598,0.2842775142437774,0.083923070518691,0.08392307051869106,3.6156279897833414,2.5869605447074813,2.5108976211203267,1.6207014933877588,1.3088559198117942,0.9478868795204572,0.27091390189293774,0.27091390189293735,1.6613379058057094,1.6559760066687526,0.7461212140411211,0.6219497304774959,0.41996319037750546,0.1452998851861083,0.27091390189293696,0.27091390189293707,3.742048007504276,2.854775029550627,2.7348014887900627,2.1300160050294266,1.7784680891728577,1.4978484456628884,0.943918426802623,0.9439184268026223,1.4541666915473417,1.452583651120129,0.25105871875807434,0.17284907323754775,0.13286403985439352,0.45401037214299506,0.9439184268026214,0.943918426802622,3.628095255411033,2.5903519635926315,2.548571848552043,1.6070753583244495,1.3935289897419558,1.0179049279048251,0.3992772455089824,0.399277245508982,1.6460184564881348,1.6122857329828686,0.7444844206049941,0.5312606142931668,0.33328139728495726,0.04229472786084955,0.39927724550898175,0.39927724550898175,3.78894350067997,2.91385217277237,2.841861734879928,2.2377371727393096,1.9780391444545962,1.7046967787838354,1.2076448229620889,1.2076448229620877,1.4088305632737175,1.3884283102424,0.15851373215222575,0.016182923167947803,0.30296209500891774,0.6591179404851047,1.2076448229620866,1.2076448229620877,4.696814273748847,3.5387140009349953,2.654572333046624,2.3997438363748267,1.5949522242166274,1.3470757314806285,0.6818181818181821,0.6818181818181819,1.5084407584210675,1.4663703310370648,0.3319928897512749,0.2490353641669315,0.07573467892009528,0.43005044647186924,0.6818181818181811,0.6818181818181817,0,0,0,0,0,0,5,0,0,0.0,0.0,0.14433756729740646,0.14433756729740646,0.0,0.0,0.0,0.14433756729740646,0.06454972243679027,0.0,0.2886751345948129,0.0,0.0,0.0,0.12909944487358055,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.0,0.18257418583505536,0.19364916731037082,0.0,4.405777393935816,2.893846850117352,2.3896287658987125,1.643846850117352,1.1299361269508954,0.2886751345948129,0.0,0.0,0.734296232322636,0.482307808352892,0.3413755379855304,0.23483526430247886,0.16141944670727076,0.14433756729740646,0.0,0.0,3.8529909894357735,2.5746954706748872,1.9382805566410968,1.3246954706748872,0.9042620223220876,0.12909944487358055,0.0,0.0,0.6421651649059622,0.4291159117791479,0.2768972223772995,0.18924221009641246,0.1291802889031554,0.06454972243679027,0.0,0.0,8.423938123346227,15.769847050254914,14.9764705882353,15.200000000000006,9.473011976047902,123.29579640718565,0.5264961327091392,0.9856154406409321,0.9360294117647062,0.9500000000000004,0.5920632485029939,7.705987275449103,0.9212999999999999,24.47479999999999,18.099258253048582,25.29161865191159,36.198516506097164,6.033086084349527,18.099258274357478,0.06483357154617153,0.010805595257695255,-1.6415590382186926,30.976184639674145,5.162697439945691,2.0599312030858106,29,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6027777777777779,0.0,8.729166666666668,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6027777777777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5972222222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.557870370370371,0.0,0.0,0.0,0.04629629629629606,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.729166666666668,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6027777777777779,0.0,8.729166666666668,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6027777777777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0416666666666667,0.0,0.0,0.0,0.04629629629629606,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.729166666666668,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6027777777777779,0.0,8.729166666666668,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6027777777777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2372685185185186,0.0,0.0,0.0,0.04629629629629606,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.729166666666668,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.333333333333332,2.222222222222222,0.6027777777777779,8.729166666666668,0.2625,0.04629629629629606,2.216569444444445,1.2870370370370372,2.729166666666667,5.458333333333334,1.2870370370370372,2.729166666666667,5.458333333333334,2.83333,0.47222,0.0,0.02778,0.49792,0.82778,0.43333,0.49792,0.75238,0.06458,0.0,-0.06458,0.0754,0.57047,0.14382,0.0,0.11765,0.17647,0.0,3.25,0.54167,3.25,0.54167,0.0,0.0,-3.25,-0.54167,0.0,0.0,4.5259,0.75432,5.2306,0.7047,0.11745,2.61227,0.43538,2.89384,0.28157,0.04693,0.02016,0.00336,0.10616,0.01769,0.3125,6.01,1,1,1,1,1,1,1.0,1.198192411043098,1.7169171866886992,2.25,2.75,2.577819531114783,2.5243974703476995,19.171078576689567,27.470674987019187,36.0,44.0,41.24511249783653,40.39035952556319,0.2995481027607745,0.4292292966721748,0.5625,0.6875,0.6444548827786958,0.6310993675869249,2.801807588956902,2.283082813311301,1.75,1.25,1.4221804688852169,1.4756025296523005,0.2995481027607745,0.4292292966721748,0.5625,0.6875,0.6444548827786958,0.6310993675869249,10.71860944884017,13.721255741615888,17.006553686999997,17.510466202999996,15.444300576377398,17.283098326333885,21.96987351738496,19.952254680198294,17.0,17.0,19.150751560066098,17.371987351738497,4.166666666666667,1.6326530612244898,0.9795918367346939,0,0,0,1.8999999999999997,0.7632000000000001,0.0,0.0,0.0,0.0,4.242640687119286,2.8284271247461903,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.389,0.395,0.56,0.398,3.247,7.0,7.0,7.0,2.0,0.0,0.0,0.0,0.0,0.0,35.0,1.9459101490553132,2.0794415416798357,2.0794415416798357,2.0794415416798357,1.0986122886681098,0.0,0.0,0.0,0.0,0.0,3.58351893845611,1.0,0.3333333333333333,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.16666666666666666,0,2.0,3.0,0.5,1.0,0.44444444444444464,0.2222222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.16666666666666666,0.06349206349206352,0.1111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3412698412698413,8.82187002975057,12.988302897090321,17.643740059501138,2.9406233432501896,8.82227463687128,0.053128175458597826,0.008854695909766305,-1.7610287281113597,43.83078249038842,7.305130415064737,2.268201820272444,20.23,91.47014982989454,3.584962500721156,3.295836866004329,4.007333185232471,4.762173934797756,5.493061443340548,6.251903883165888,6.98933526597456,7.747164966520335,8.487764380725425,9.243871855184976,68.27844578094629,2.5649493574615367,0.0,3.713572066704308,2.3978952727983707,5.017279836814924,4.442651256490317,6.385194398997726,6.22455842927536,7.7886260656250315,8.24564690087386,86.07316494,5.37957280875,11.57549816824563,1.929249694707605,2.4612337456728106,2.4612337456728106,0.0,26.0,2.0,0.7599999999999998,26.0,1.3711548504372342,2.4852390849383252,3.2785860425523197,4.010441175951702,5.01181128624852,0.0,0.0,0.0,0.0,0.0,111.7230392442765,124.93845652908905,64.73908167731223,19.416944772765845,5.0923210227508156,0.0,0.0,0.0,0.0,0.0,356.7014956769624,443.69403382625865,305.7134091524333,192.14111019797673,155.78586115780084,0.0,0.0,0.0,0.0,0.0,10.40661178144957,18.540105798634087,24.232493549825527,29.18618336431738,33.67167370145438,0.0,0.0,0.0,0.0,0.0,2.5154066733895273,3.390079466566889,2.723027087404203,2.080090807284753,2.228315974533957,0.0,0.0,0.0,0.0,0.0,196.10185010444638,378.12183876587574,549.8498108268599,730.9673682995876,926.7723754417075,0.0,0.0,0.0,0.0,0.0,3.260255123578798,5.652264607443038,7.275008910091019,8.00641338529517,5.01181128624852,0.0,0.0,0.0,0.0,0.0,0.5410807971209443,0.7589311754790196,0.6629283817991863,0.5359198778688625,0.5132094757118484,0.0,0.0,0.0,0.0,0.0,290.9308528771119,159.35281916301903,16.690448848823852,73.05381016841365,-40.01408061679178,-21.884569721492756,217.87704270869824,199.3668997798108,38.57501857031661,0.7992942626835998,0.4378009167465606,0.04585481352200899,0.20070573731640007,-0.10993342489210046,-0.06012497762510266,105.89436845402294,58.00198218840605,6.07506740031773,26.59046647834183,-14.564511650379453,-7.965647735973852,0.38361367804704727,0.7165382179408749,14.418258193805109,38.69014558382042,272.40337565241305,91.58128739311249,0.7483924552566712,0.2516075447433287,313.858892140064,17.716063110636743,6.795866087011842,419.0731489401086,20.471276192267755,7.483359544836137,465.96891878496405,21.586313228176877,7.752688176228997,1.3225798636926638,1.2880207720432573,309.8357317182866,251.97140861794256,94.11481459887071,1.2296463849518822,3.292103724996387,2.677276788908066,3.7674092946973583,3.649051611898809,5.742161210010765,0.5736037252218507,3.22444239051278,1.9785815436593195,2.027365691791597,7.751093567939536,8.865070120524933,7.41893581312744,3.5333511078010895,4.357318633719971,1.920788057805533,0.4485134522797108,0.001296553265576199,1.1418664536405804E-25,1.9396921141436742E-69,6.355155638860784E-135,4.016016482835332E-222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2905101571139836,2.1054935056843145,0.7590245510257417,2.2626046169519474,0.5384467970970811,1.7172464684755193,0.6407694218731239,0.09656545007005052,0.10429122877115317,0.04984100458927085,9.136930979933693E-6,8.042258799144218E-28,1.3661410159392843E-71,4.475988079560991E-137,2.82851324593424E-224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8183531198488457,1.8692667257821725,0.9945330223785085,3.0849298239237855,1.5273800154898667,2.1925705703310543,0.688274986425085,0.3610497481877043,0.24524955836088033,0.08651275143927106,9.516564444387252E-5,8.380653729084839E-27,1.42362426863471E-70,4.6643246793974406E-136,2.9475288817810323E-223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.266568654510754,2.1051209388897325,1.9548179400331536,7.3097381879761585,8.173394421589622,7.042272785963921,3.5944976484405906,3.9058286368689443,2.0274155043839506,0.5623130515528434,0.0011552237411369885,1.017382452556466E-25,1.7282307523726715E-69,5.662329258910555E-135,3.578198383683E-222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1392011093919387,1.779506204538913,1.1597557545994428,3.737909955191908,2.402783421499198,2.7256276517001363,0.8315527773802583,0.7234980058975549,0.3344140401334305,0.08591009363699821,2.0670113294498E-4,1.8203899777823735E-26,3.0923021455847003E-70,1.0131536481628583E-135,6.402426599572883E-223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.074611355720382,2.0587992021920996,2.358327777536769,9.505108007485923,11.970761463262868,9.654030199201655,4.930217512359497,6.328593712521174,2.8028835717793688,0.6550518870740182,0.001890901190126952,1.6653049082294915E-25,2.8288586531627837E-69,9.268397231755697E-135,5.856982608669614E-222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.721192575194209,3.0925184245469306,1.605766738490025,5.344251111958894,5.423964790062662,6.0560526690408505,4.773555074346134,2.2077661412546337,2.9050752973351197,1.2444193631083311,6.028519383251533E-4,5.308263472750648E-26,9.017163753767081E-70,2.954359542858836E-135,1.8669498112354336E-222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.614179281784404,1.5184278349452112,0.7239582805385614,0.5382773766940074,0.31265466656730884,0.4484827557204762,0.38290625110463233,0.4115662544325694,4.8565653972681755,6.961277729367514,14.691553956615678,0.30741606504101104,1.242955261257678,2.884707618200839,0.8854066495473771,0.21123919406504832,0.7245545128984932,0.222388355628221,0.5536086549854663,0.1297445342781547,0.03644136823805231,3.9813534618132644,3.350535206607272,7.871422997193819,0.5868317693477397,0.7197945575016733,2.406159762840788,1.188772612909804,0.42320038917779934,0.5988253508800297,0.2958519995371506,0.3829699422139133,0.23376201255373225,0.14603030829662772,4.018132764928391,4.381753608836199,9.610398960717758,0.39823802632004457,0.7627622630642732,2.7377891701036967,1.47289496945237,0.6955710811343397,0.558020128785399,0.3002075724150985,0.4917845479415778,0.35939264454029674,0.37974057545736634,4.906255220690406,6.961306015333144,14.672434854698981,0.3370301931780984,1.230917767939241,2.2830583319262985,1.3208134284939161,0.525254398165477,0.5529156156149735,0.31987722771500915,0.3441271211768651,0.28942815511534686,0.22404394187625593,4.1291261585856915,4.908443595428254,10.621471294174384,0.32937342342246023,0.857599218168468,2.6833860439410113,1.551503893038014,0.7580548233935781,0.5374355561147368,0.31073924657685015,0.4721570340939412,0.3997571691100596,0.4483665654618295,4.992944760372603,7.373562636966231,15.522504834113667,0.3061533341721051,1.3202807686658304,2.755627533630387,1.4737509489667922,0.6970731923309609,0.5593534079821422,0.2991505948321901,0.4981482851666375,0.3597643775325005,0.38094377599190454,4.926451674928139,7.009295053126695,14.76663672886904,0.33903011197321314,1.2388564386910426 +UMLCN0058,L,geraniol,CC(=CCCC(=CCO)C)C,Alcohols,Olefins,C10H18O,NREL (2014),IQT,PubChem,,19.3,0,2.3396999999999997,5.474196089999999,51.2973,30.404273999999972,0,0,29,11,18,0,10,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1716.898362999998,1712.4885659999993,1969.8220629999978,1808.419756999998,1654.6982879999964,1290.9574099999968,1140.6394099999973,779.3465029999995,542.9075460000006,5011.0671942143945,6146.91772674407,7828.609506883657,8214.23398034389,7604.824110630663,6287.1000570291135,4967.747512033915,3995.0540904455997,2644.6553950006078,209.6892280000001,208.36944000000005,355.82611599999984,403.24857200000014,480.7929119999997,453.2341279999996,334.287248,225.16547600000018,266.3233200000002,36.53523628728201,45.90446125600001,62.35829427018804,68.71903219448998,66.82572785062106,55.79404189547009,43.05831893322506,34.84187873539602,26.04299003122497,4781.912583138983,4082.760121040451,7685.608412107889,8714.470691738043,11176.863681173123,10629.462102757023,7924.340630844126,4853.605522784847,6613.975982278126,86.30555555555556,73.41666666666667,108.66666666666666,116.58333333333334,121.19444444444444,123.83333333333334,91.16666666666666,71.33333333333334,67.66666666666667,59.20339182758614,61.160305928571404,40.200450265306074,32.29320994642854,24.333798352941123,20.49138746031741,24.26892361702122,25.140209774193533,14.287040684210542,172.79542049015154,219.53277595514535,159.7675409568093,146.68274964899803,111.83564868574504,99.79523900046212,105.69675557518968,128.87271259501935,69.59619460527915,7.230663034482762,7.441765714285716,7.261757469387752,7.20086735714286,7.070483999999996,7.194192507936502,7.112494638297872,7.263402451612909,7.008508421052636,1.2598357340442072,1.6394450448571434,1.2726182504120007,1.2271255749016068,0.982731291920898,0.8856197126265093,0.9161344453877672,1.123931572109549,0.6853418429269729,164.8935373496201,145.81286146573038,156.84915126750795,155.61554806675076,164.36564237019297,168.7216206786829,168.6029921456197,156.5679200898338,174.0519995336349,2.9760536398467434,2.6220238095238098,2.2176870748299318,2.081845238095238,1.7822712418300652,1.9656084656084658,1.9397163120567373,2.3010752688172045,1.7807017543859651,0.2567520996376794,-0.09866047986918305,-0.028159262278433114,-0.02686005857172935,0.04389398533754976,-0.04192890117748642,0.03289230598451215,-0.033875903009581855,0.052853032857310224,896.416017862068,-61.97448400475733,-42.156308180737895,-469.04141656123755,56.27386056480434,-11.957337079666594,264.03685212009566,-474.20306550772926,290.22847628418646,1461.0162705958232,-58.32641266280152,8.135350513556922,-839.9361642402894,-132.7432137282095,142.14261353297636,469.3718153925587,-884.9833949081803,248.06591138380168,1.131541793103449,-0.08560090368608572,-0.11247075386444602,-0.11880291082045168,0.20445827824018742,-0.23839575743162844,0.02919874910820327,-0.11692150297265083,0.2628102021403066,6.517919588417315,-0.12158431389186958,0.25322100247317597,-3.665563818497962,-1.2540021940444868,1.0203754101231446,2.0096671906742496,-3.984041196197737,0.27497433297175394,35.849691529858646,-0.44939254298208686,1.7094072007099763,-19.765989902309116,-7.8896557736121595,6.110396786536867,10.74815474865902,-21.702411614374817,0.11405635768153943,25.959770114942543,-3.916138195270184,-0.21938168846611328,-5.625379838816224,5.924791914387642,-6.408772625181646,3.1226714229092356,-5.5269190117584905,8.73853877658873,0.00885352067716136,-0.0035235885667565378,-5.74678822008839E-4,-4.7964390306659554E-4,6.454997843757318E-4,-6.655381139283558E-4,6.998362975428117E-4,-0.0010927710648252211,0.0013908692857186901,30.910897167657517,-2.213374428741333,-0.8603328200150591,-8.37573958145067,0.8275567730118285,-0.1897990012645491,5.617805364257355,-15.296873080894493,7.637591481162802,50.37987139985597,-2.0830861665286258,0.16602756150116169,-14.998860075719453,-1.952106084238375,2.2562319608408945,9.98663437005444,-28.547851448650977,6.528050299573728,0.03901868252080859,-0.0030571751316459186,-0.002295321507437674,-0.0021214805503652085,0.003006739385885109,-0.00378405964177188,6.212499810256015E-4,-0.003771661386214543,0.0069160579510607,0.22475584787645914,-0.004342296924709628,0.005167775560677061,-0.06545649675889217,-0.018441208735948334,0.016196435081319755,0.04275887639732446,-0.12851745794186248,0.00723616665715142,1.2361962596502982,-0.016049733677931673,0.03488586123897911,-0.3529641053983771,-0.11602434961194352,0.09699042518312488,0.2286841435884898,-0.7000777940120909,0.0030014830968826166,0.8951644867221566,-0.13986207840250658,-0.004477177315634965,-0.10045321140743257,0.0871292928586418,-0.10172654960605787,0.06643981750870714,-0.1782877100567255,0.229961546752335,-0.3979872748076396,-0.06490963798066084,-0.05417549927950022,0.07290882440031683,-0.07517214204346812,0.07904610189120777,-0.12342785482436897,0.15709787512063894,-0.07160498825822552,-0.02783267063872985,-0.2709639754556952,0.026772331081923825,-0.006140197103794784,0.18174190589768255,-0.4948699158722515,0.2470841088738801,-0.04134758800782848,0.003295513801205065,-0.297715330725563,-0.038747738531225304,0.04478439301548802,0.19822667451435755,-0.5666519317223305,0.12957655742631352,-0.07835157248109371,-0.05882621757445509,-0.0543708914116674,0.07705896743903694,-0.09698071275865987,0.0159218595013886,-0.0966629609855003,0.17724990963937284,-0.019320062039482264,0.022992841385455813,-0.2912337871398632,-0.08204996181494177,0.07206235225622427,0.19024589037980272,-0.5718091838593863,0.032195676889034276,-0.01298315987662987,0.028220325831472593,-0.28552432726032145,-0.09385592999995414,0.07845875962329966,0.18499015977704153,-0.5663160590779758,0.0024279988500626043,-0.1562417639183192,-0.005001513556496352,-0.1122176012313271,0.09733327690163963,-0.11364006404962756,0.07422079237302105,-0.19916754149794916,0.2568930628541691,1.3387404216700567,0.9020681488034791,0.7517418898589401,0.4445250963001786,1.1402331831476074,0.9973559149094546,1.1277220802592705,0.5829749213590221,1.2821928279921209,1.0744209495942485,1.2826105450370409,0.8692780453126838,0.9427683057917902,0.717847693940981,1.5240667784746649,0.56040361188101,1.3501088395012635,1.0959887951549037,1.406980022057722,0.993163037849401,0.8220287297755315,0.6836363169062086,1.6369862563494981,0.6418420641516411,1.0408276629092448,0.9214572850303059,0.6199691467656329,0.4337878298576059,1.3718619326057835,0.8982371285431681,0.9968945714978231,0.6218170679053951,1.3716737014566223,1.0934325357610424,1.4192787547260182,1.0330885975040391,0.7836911974104476,0.6800204082360743,1.6573291832226704,0.7109356447337756,1.3737480156355797,1.089992709781967,1.4112271099499099,1.037129150597428,0.7800035277589712,0.6821337912799815,1.6540179739125993,0.7322650805871217,1.1331636041620536,0.8624455759722526,0.7134436572946642,0.4185712363315923,1.3670249838060324,0.8373112135871257,1.151078006384482,0.5385075484815645,62.87892256476627,31.564461282383128,49.27320023494295,63.083468019311724,5.734860729028339,31.564461282383213,0.24999999999998934,0.03178859165270537,0.0028898719684277607,-3.7935125872851456,49.4742267501165,4.497656977283318,4.291597048489564,62.882677384146845,31.565971481622764,49.2750282808495,63.08662194886395,5.735147449896722,31.56597148162285,0.24926557909867952,0.03172429954672107,0.0028840272315200973,-3.795739578984089,49.47752052391243,4.4979564112647665,4.291670279155554,66.27194622463995,32.936475873290966,50.971106106103925,65.94549619713794,5.995045108830722,32.93647587329099,-0.3989944780580217,0.029704861051027764,0.0027004419137297967,-3.8680890322959134,53.832844577381124,4.893894961580102,4.384472152384996,62.886618313932665,31.567556557075807,49.27694704945046,63.089932241384545,5.735448385580413,31.567556557075893,0.24849480021894976,0.03165681281636873,0.002877892074215339,-3.798082088563823,49.48098018119987,4.498270925563625,4.2917471926696145,69.98041500765967,34.44906037166026,52.9487230374091,69.09490151865492,6.281354683514083,34.449060371660266,-1.0822942643391542,0.10620827378942388,0.009655297617220353,-2.4665885921459707,66.9498525021106,6.0863502274646,4.624338255932572,63.27303502208274,31.723084603980517,49.46565823303406,63.41469026507407,5.764971842279462,31.72308460398059,0.17313418587829332,0.024999484742473488,0.0022726804311339536,-4.057790071090132,49.83369539790398,4.530335945263999,4.299560506610619,68.38829365453931,34.46303571615853,55.39592840978746,68.82829365453927,6.2571176049581165,34.46303571615854,0.5377777777777482,0.05096080918532109,0.00463280083502919,-3.274368227912612,45.07695911525975,4.097905374114522,4.189208354760485,0,11.996249487616057,15.997943557490288,-0.4169365724818829,0.08738364519772307,4.1966551643294725,8.475576189870573,10.0,28.0,26.0,26.0,8.0,2.0,2.0,0.0,0.0,2.0,19.677725999999996,3.6251470263082135,3.436624523104672,2.9282627413162983,2.660461104057806,2.3335527931030473,2.125974195803588,1.9126626844695542,1.3961661616753092,1.9176323087944294,1.7613859162237913,1.4414996434031009,1.3257964873793247,1.2496297225843542,0.9451553244904878,0.6700462149535238,0.5421031328591168,3.6385290129136187,3.4466139682009933,2.9081193828805536,2.661027312298942,2.4054545878412896,2.1658615550725986,1.8690679370181598,1.452136634176987,1.8736729406766097,1.7144475609315346,1.3870727480415435,1.2530369634481333,1.1345406859483511,0.8464477627332706,0.6073624010360651,0.4083698840698611,3.7261958272598315,3.5473843802891123,3.1230587741937805,2.916375938781313,2.704236987233521,2.4544535247917345,2.218686406101327,1.8679023377816386,1.7388662854521328,1.5567344747394631,1.11107582940648,0.9219134142745887,0.7603185604308973,0.48648556616771405,0.18411364986444295,0.07949256911257854,3.6510481211868515,3.459050841013771,2.925617253739835,2.684249133147948,2.4575399160416938,2.208018493278219,1.8863781200386442,1.5144924126923822,1.8466640848216063,1.685988011978418,1.3574852207675787,1.2009688561470415,1.0582626705327118,0.7835958807233467,0.5668429435278123,0.3198813783243823,3.7672410533161784,3.5922645472461117,3.190977790780524,3.01125700018056,2.8389820851496492,2.5716561330927,2.320280854253675,2.0353997201155867,1.7006800422804653,1.514895871453216,1.039100971828598,0.8293171954126332,0.6313372621875635,0.3710764153170366,0.07747800828714921,0.24624120110597497,4.109922637131888,3.63230938606747,3.430175034425571,2.859764620703839,2.595718168510034,2.531318728200297,2.223114862176985,1.7112269185863624,1.8303885815467134,1.6026266918423382,1.2493062739979905,1.0342702056810422,0.9134751778558214,0.6679433344991279,0.31532906190530685,0.18530369858429552,0,0,0,2,2,4,2,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696923425058676,0.0,0.0,0.0,0.49279927982674443,0.0,0.0,0.0,0.696923425058676,0.696923425058676,0.44758410344446353,0.49279927982674443,0.39428269568349583,0.21840456187301271,8.69023444431199,5.163902460147014,4.218597360017603,2.259872253901791,1.5116979803151098,0.6832863638399794,0.5633565647770272,0.1767766952966369,0.7900213131192718,0.5163902460147014,0.3835088509106912,0.251096917100199,0.18896224753938873,0.11388106063999658,0.0938927607961712,0.05892556509887897,7.723234477438853,4.063628006727464,3.0532005505033757,1.5310097978029482,0.8464137068445396,0.36274212917041915,0.2834859970149158,0.07210172201624722,0.7021122252217139,0.40636280067274644,0.27756368640939777,0.17011219975588313,0.10580171335556746,0.06045702152840319,0.04724766616915263,0.024033907338749074,15.591249338489726,28.321194464675887,26.878431372549027,27.23999999999999,17.66722994011976,222.15151137724553,0.5376292875341285,0.9765929125750306,0.9268424611223802,0.9393103448275859,0.6092148255213711,7.660396944042949,2.5237800000000017,48.96780000000002,36.59051034223627,56.85583911941052,73.18102068447254,6.652820062224777,36.59051034223627,0.016000650393676263,0.0014546045812432967,-4.548638498760139,55.09840957187478,5.00894632471589,4.410032936482797,122,1.0,0.0,1.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,6.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,3.0,0.0,2.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6602976584152178,0.0,8.5533841962711,6.708227040816327,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6602976584152178,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6919770408163266,0.0,0.0,0.7351388888888889,2.264025258251449,0.0,0.6919770408163266,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.255192901234567,0.0,2.316529195011338,0.0,4.07693216175359,0.0,0.0,0.0,0.0,2.6312948790627364,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.5533841962711,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6602976584152178,0.0,8.5533841962711,1.2685185185185186,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6602976584152178,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3025283446712018,0.0,0.0,0.3614583333333333,0.31466994205089444,0.0,0.3025283446712018,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.050648148148148,0.0,0.16731623204837498,0.0,1.8599537037037037,0.0,0.0,0.0,0.0,1.2685185185185186,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.5533841962711,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6602976584152178,0.0,8.5533841962711,2.2169784580498866,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6602976584152178,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38944869614512473,0.0,0.0,0.37368055555555557,0.5523242630385488,0.0,0.38944869614512473,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1022723765432096,0.0,1.0879629629629628,0.0,2.2169784580498866,0.0,0.0,0.0,0.0,1.3627763605442178,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.5533841962711,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.833333333333336,2.166666666666667,0.6602976584152178,8.5533841962711,0.08126948696145125,0.16731623204837498,4.589338832671958,1.332683767951625,2.553384196271101,6.05111111111111,1.332683767951625,2.553384196271101,6.05111111111111,5.33333,0.48485,0.0,0.01515,0.47816,0.7697,0.42571,0.45657,0.73056,0.05245,0.0216,-0.03085,0.03914,0.62992,0.08437,0.0,0.34375,0.1875,0.0,7.25,0.65909,5.25,0.47727,2.0,0.18182,-3.25,-0.29545,0.0,0.0,10.1927,0.92661,13.53413,3.34144,0.30377,3.6965,0.33605,5.16389,1.46739,0.1334,0.25011,0.02274,0.25011,0.02274,0.0,10.01,1,1,1,1,1,1,0.6,1.1242592373746325,2.3973518076692533,3.296456425639839,3.5983490981282347,3.8143719431796277,3.788341339656749,32.60351788386434,69.52320242240835,95.59723634355532,104.35212384571881,110.6167863522092,109.86189885004572,0.23142520287795176,0.4934872759020124,0.6785651135618065,0.740708763936558,0.7851763823294785,0.7798180650472605,3.7337217577529405,2.4606291874583195,1.5615245694877338,1.259631896999338,1.043609051947945,1.0696396554708238,0.2291184642226998,0.4885684245364656,0.6718014924950727,0.733325723901124,0.7773501097809978,0.7720452017102584,9.465905525546166,19.263875372708878,22.444258609914016,23.792727582947176,23.252359781397963,22.93999253912343,40.80778379514381,26.097055487804916,21.99393478693174,19.38761138019398,19.692751680239276,20.406813642397495,11.0,6.694214876033058,7.901234567901234,11,2,8,2.45,1.4903,0.7211247851537042,4.282910726134384,2.683281572999748,0.0,4.508797713853318,4.640391524350133,0.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.421,0.399,0.6010000000000001,0.493,5.4479999999999995,11.0,9.0,8.0,6.0,6.0,3.0,2.0,0.0,0.0,66.0,2.5649493574615367,2.8903717578961645,2.833213344056216,2.772588722239781,2.70805020110221,2.9444389791664403,2.5649493574615367,2.1972245773362196,0.0,0.0,4.820281565605037,1.8636363636363635,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.4,8.0,0.8,0,4.0,8.0,1.0,2.5,0.8888888888888893,0.5,0.16000000000000003,0.22222222222222227,0.08163265306122448,0.0625,0.0,0.0,0.0,0.25,0.08080808080808084,0.05555555555555555,0.020000000000000004,0.03703703703703704,0.013605442176870748,0.020833333333333332,0.0,0.0,0.0,0.4778394489108775,36.59051034223627,56.85583911941052,73.18102068447254,6.652820062224777,36.59051034223627,0.016000650393676263,0.0014546045812432967,-4.548638498760139,55.09840957187478,5.00894632471589,4.410032936482797,20.23,185.03361425842792,4.459431618637298,3.7612001156935624,4.418840607796598,5.153291594497779,5.831882477283517,6.5722825426940075,7.257707677160043,8.000014093678072,8.687948111838727,9.430840432344976,80.11400765298727,3.044522437723423,0.0,4.174387269895637,0.0,5.442417710521793,0.0,6.771935555839602,0.0,8.131824785007195,8.433376705323127,154.135765196,5.315026386068966,20.48611670076994,1.86237424552454,2.4044093210821025,2.4044093210821025,0.0,194.0,9.0,2.524,42.0,1.2228510274652318,2.128303170940475,3.0211348804389666,3.7492281562010357,4.584747126165433,5.318127188292935,6.301866931653029,6.837098852164963,5.376772179167987,6.564671262472195,86.65670209666507,98.54369896955048,110.84234019176854,107.02852041288357,104.43494524572235,142.80792289563402,146.9905097316593,84.21224495663904,40.815812379820706,6.670126141632548,294.9637753352793,374.2396800141638,474.72435279781286,459.15288339507765,491.05324695893563,605.1074574021673,803.1650442165278,422.14588679931154,315.8858877113782,204.054563795758,9.133124039765331,15.530324158643293,21.821910185821164,26.686514883542657,33.19615318537904,37.789135890013725,45.789559537086205,47.57900292579245,41.526504181460155,44.10450754875399,2.1467829362243935,2.9100492649371184,3.884023662384756,3.9137836147039837,4.262030564569284,5.161666350474466,7.097909665651884,4.308717050577519,2.98712887977281,2.918737559386514,175.89508715612973,328.7374048179152,466.0630102523675,609.214904652721,767.8954876443695,887.2837068301048,981.4303663583166,1207.4831187079715,974.4172639163462,1213.9235961674206,3.312734531230979,4.944429593444425,6.4805729499364615,7.161157093004208,9.497888609730273,10.400246602579475,14.573876159214361,11.345686555051074,15.366398598415367,6.564671262472195,0.45718478358780523,0.6268168879659296,0.8372320737928306,0.8641646329046792,0.9654246357939069,1.1419023751452264,1.5750132235800596,1.0228493762789306,0.8300983292330505,0.6722223372771529,380.2001244267232,335.7833028576786,20.17919420873489,102.47935777118333,-90.50722242405188,-17.20859637254402,277.7207666555399,426.2905252817305,37.38779058127891,0.7876865258400085,0.6956651675531589,0.041806612779246105,0.21231347415999155,-0.18750998491156587,-0.035652222659607914,183.5147991898704,162.07571075404715,9.74008301184315,49.464683344968776,-43.68597925481211,-8.30623638645232,0.2379694234972068,0.4434668717906084,9.470603560611249,15.029025294120274,408.9920684236337,73.6874137742728,0.8473367597090863,0.1526632402909137,696.0699357302717,26.383137336758715,8.862392061560088,883.6816129970907,29.726782755573982,9.596184873637053,1221.8921510324606,34.955573962280475,10.690818545448195,1.4083149862774071,1.2889507540989353,1276.4718180880182,946.3828920419934,351.16841649004834,1.348790039234329,3.6349277387939347,2.69495446515707,5.534781073917266,4.612473238946759,9.0967144145565,0.972198849360414,8.022351549684272,7.516677404448573,8.911212485854643,18.05368036316846,9.313174099390855,5.228531544728127,14.528874101005902,14.083361414685692,14.255466218931815,9.495931845271175,10.771733303561795,7.663208437497126,4.413092543808179,4.4583251525606435,3.2450245834223272,4.163116930125539,0.7942586399964897,1.6469618845138299E-7,6.6117178272641E-36,5.1385225547787914E-86,7.730858871906992E-158,2.2513559748119483E-251,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.698824780341027,7.669662636899253,0.649087513642746,7.654547880929169,2.2975812803128672,0.43212743143837296,3.5660057265816794,3.3556960866746532,3.5928583569765413,1.5906930691068617,1.1735344658689302,0.6664634444887355,0.3979499576484288,0.5709298036732094,0.024819756253948066,0.1040348622952085,0.0055940285444391865,1.159968721693913E-9,4.656686926641498E-38,3.619103450606931E-88,5.444907115072157E-160,1.585648421336396E-253,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.102499473590771,7.370021083169097,1.8692632692728708,8.69329225604196,3.2883747274872888,1.3730175397459379,5.340748463651267,4.480209675848598,4.545385176722425,1.8359752149385984,2.3649270677750094,1.6353357880353443,1.2045795752456303,1.1653169689080638,0.2431380143534676,0.49750314629592857,0.05829409045048092,1.2087768420635929E-8,4.852626810009669E-37,3.7713848298751545E-87,5.674013018450381E-159,1.6523679091684143E-252,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.85873696327112,7.676572161002028,8.916406699508155,17.521044576678598,8.72758892876254,4.925941245821391,13.763935188745577,13.213028885551262,14.110512074729778,9.09112196580028,9.91648264747878,7.304528856394364,4.173854839697826,4.501808104697684,2.8927597348051672,3.760707038664363,0.7076701487678304,1.4674133879535995E-7,5.8909215497496554E-36,4.5783310846988916E-86,6.8880560720231535E-158,2.005917641174554E-251,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0127901376237123,7.2566724285688515,2.6739470772007303,9.663641969513947,4.099536246187269,2.0304685787052352,6.679124796214044,5.576853554144931,5.418392059302572,2.420865240888585,3.409865978463175,2.377957241478857,1.7627239344437993,1.5432576064158499,0.5233086511310882,0.8967901267310543,0.1266225541007726,2.625624825735154E-8,1.0540553871497042E-36,8.191951807925359E-87,1.2324714475299333E-158,3.589163899065195E-252,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.920089879327968,7.62244683198413,11.75609352027655,22.09028930252485,11.658567248424273,6.375151199412017,17.82253764713862,18.12602878569232,18.528434872171793,12.99389384580409,14.261880121503088,10.095036349204866,5.330870751583193,5.7707928207736865,4.726330618241825,5.827819458504901,1.158351580758109,2.401939124495062E-7,9.642569071423929E-36,7.494052219712956E-86,1.1274731106399951E-157,3.28339110328763E-251,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.808884773868365,7.971799116081632,7.036811077844088,14.006178337125641,5.102166851588355,3.1040353914718812,8.423661587698435,7.798108578254632,12.142002631104615,7.462533837757508,4.957334180971204,4.31290194658612,2.644590046780549,4.012374137592599,1.028973735642788,1.614619732353608,0.24974505231852906,5.178673058127161E-8,2.0789749478688755E-36,1.6157464579617128E-86,2.430875354953722E-158,7.079117398308161E-252,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.300732888157912,2.6049146689867135,0.35511983441304906,0.7115191885321158,0.25387133043577015,0.5456058588882573,0.493872696980484,0.44108059881313655,10.260767391557675,22.535478114963503,39.54983859089159,0.5672787827981738,1.480559154681878,6.110847477203135,2.224278614768394,0.06900239393474772,0.7271244707230531,0.2646649939370286,0.39479126793210845,0.36317199791655763,0.016480036823191487,8.404128485906277,14.167371015748339,23.509395728514143,0.5906867060845796,0.7744433026718576,6.591998843181764,2.1490237855813956,0.1806628769817243,0.7388737070968283,0.24087643351669238,0.4463935905679134,0.3437451240183072,0.11449014880962664,8.921685505744884,15.74554060439736,27.22656188116541,0.6083105606452425,0.9046288633958472,7.2302715175042325,2.6730807130218355,0.34378306178914,0.7055895439310285,0.26086126871248594,0.5361153343281492,0.5266905856762047,0.4141658181402387,10.247135292315207,22.731704095138245,39.62316877521377,0.5583843158965427,1.4769717381445928,6.836318794179538,2.1611552919374115,0.2338519980611372,0.7405565280481814,0.23411103369444355,0.4783860518834609,0.3405897220446703,0.1919491302488794,9.231326084178086,16.87842383195405,29.564760374421347,0.6108347920722721,1.0109249041770105,7.3838053447723695,2.6936368963583353,0.3772566739402575,0.7062666658078743,0.25764844289062455,0.5581537194466619,0.5284378515475702,0.4973856885383448,10.454698915070962,23.691072853920762,41.64913935465835,0.5593999987118115,1.583977259532577,7.252692448209006,2.6641897736186793,0.34433068186580856,0.7068065458030229,0.2596369258316151,0.5393079852665724,0.5225059379121214,0.4154247849084683,10.261212903693494,22.737235869144698,39.651795263202416,0.5602098187045345,1.477238708087162 +UMLCN0059,L,ethanol,CCO,Alcohols,,C2H6O,NREL (2014),IQT,PubChem,,11,0,-0.1075999999999997,0.011577759999999935,12.5551,8.322758,0,0,9,3,6,0,2,0,1,0,0,0.0,0.0,0.0,0.0,0.0,550.5926270000002,413.0905419999999,301.12475700000005,68.61657600000001,3.0481920000000002,0.0,0.0,0.0,0.0,1249.9270470485976,1381.9431163032111,1279.5114392735875,609.447463694361,93.25123329279079,0.0,0.0,0.0,0.0,68.74353199999999,62.633728,98.55586799999999,89.27884799999998,20.155392,0.0,0.0,0.0,0.0,8.888681429094001,10.230729536,10.868593451396002,6.2747515067920006,1.3338387145469999,0.0,0.0,0.0,0.0,1548.5459101279941,1230.9346997656498,2182.1177761816957,2188.016593995342,554.7529560727469,0.0,0.0,0.0,0.0,48.25,27.0,38.0,28.0,3.0,0.0,0.0,0.0,0.0,61.17695855555558,51.63631774999999,23.16344284615385,5.7180480000000005,1.016064,0.0,0.0,0.0,0.0,138.88078300539973,172.7428895379014,98.42395686719904,50.787288641196746,31.083744430930263,0.0,0.0,0.0,0.0,7.638170222222221,7.829216,7.5812206153846144,7.4399039999999985,6.718464,0.0,0.0,0.0,0.0,0.9876312698993335,1.278841192,0.8360456501073847,0.5228959588993334,0.44461290484899996,0.0,0.0,0.0,0.0,172.06065668088823,153.86683747070623,167.85521355243813,182.33471616627853,184.91765202424895,0.0,0.0,0.0,0.0,5.361111111111111,3.375,2.923076923076923,2.3333333333333335,1.0,0.0,0.0,0.0,0.0,0.21232861100284747,-0.09952329081055883,-0.015583991379693823,-0.0069555382483837205,0.015898514937212657,0.0,0.0,0.0,0.0,314.7756535555555,-63.89650893827171,-116.86383002469134,-27.322969629629505,50.69548181481486,0.0,0.0,0.0,0.0,363.45665236232037,-88.00132617908156,-193.0207684487799,42.54529022654171,56.74847822015958,0.0,0.0,0.0,0.0,0.9667315555555552,-0.13822093827160434,-0.1842966913580244,-0.23036296296296305,0.06951481481481424,0.0,0.0,0.0,0.0,1.5215138905868888,-0.37905875450079074,-0.8958158073719507,0.34424574592592644,0.16987187065337056,0.0,0.0,0.0,0.0,8.524803221453547,-2.0951525621655884,-5.003585488201571,2.03320090967591,0.8031355299644762,0.0,0.0,0.0,0.0,21.555555555555554,-4.382716049382717,-2.66358024691358,-5.296296296296296,1.564814814814815,0.0,0.0,0.0,0.0,0.023592067889205273,-0.012440411351319854,-0.0011987685676687555,-5.7962818736531E-4,0.005299504979070886,0.0,0.0,0.0,0.0,34.97507261728394,-7.9870636172839635,-8.989525386514718,-2.2769141358024587,16.89849393827162,0.0,0.0,0.0,0.0,40.384072484702266,-11.000165772385195,-14.847751419136916,3.5454408522118093,18.91615940671986,0.0,0.0,0.0,0.0,0.10741461728395058,-0.017277617283950542,-0.014176668566001877,-0.01919691358024692,0.023171604938271414,0.0,0.0,0.0,0.0,0.16905709895409876,-0.04738234431259884,-0.06890890825938081,0.028687145493827202,0.05662395688445685,0.0,0.0,0.0,0.0,0.947200357939283,-0.26189407027069855,-0.38489119140012085,0.16943340913965918,0.26771184332149206,0.0,0.0,0.0,0.0,2.3950617283950617,-0.5478395061728396,-0.20489078822412152,-0.441358024691358,0.521604938271605,0.0,0.0,0.0,0.0,-0.527313307580471,-0.050812356648789615,-0.02456877413575616,0.2246307955690359,0.0,0.0,0.0,0.0,-0.22836446130313182,-0.2570266396551321,-0.06510105527778821,0.48315822309174394,0.0,0.0,0.0,0.0,-0.2723887190067848,-0.3676635491569439,0.08779304894410647,0.46840643458842385,0.0,0.0,0.0,0.0,-0.16084977744022635,-0.1319808134541489,-0.1787178883624365,0.21572115159166158,0.0,0.0,0.0,0.0,-0.2802742067960351,-0.4076073036015512,0.1696890912674193,0.3349398353264716,0.0,0.0,0.0,0.0,-0.27649279064935317,-0.40634612114957935,0.17887810928226033,0.2826348629174112,0.0,0.0,0.0,0.0,-0.2287371134020619,-0.08554718477398889,-0.1842783505154639,0.2177835051546392,0.0,0.0,0.0,0.0,1.3620865888036646,0.8431930131191697,1.0182687539051387,0.6408576907199341,0.0,0.0,0.0,0.0,1.3437574673333077,1.1649423684538436,0.8421407892861311,0.0,0.0,0.0,0.0,0.0,1.7107033174658555,1.3139712517386508,0.43606226563922407,0.0,0.0,0.0,0.0,0.0,1.0710770679301527,1.0256440434166436,1.1748342410118677,0.0,0.0,0.0,0.0,0.0,1.9072538190418054,1.380918472973712,0.23250244158394132,0.0,0.0,0.0,0.0,0.0,1.929307462277428,1.3846015089258588,0.21381005714536772,0.0,0.0,0.0,0.0,0.0,1.13659793814433,0.984932593180016,1.1752577319587632,0.0,0.0,0.0,0.0,0.0,4.730475337133477,2.4902376685667384,4.1589382871897955,4.813808670466811,1.6046028901556035,2.625920832582196,0.24999999999999956,0.03953262767607835,0.013177542558692782,-0.9691886792770629,5.769144711208849,1.9230482370696163,0.5257571517719157,4.732622816951537,2.4909441980251152,4.160470659917556,4.815711343317767,1.605237114439256,2.626501375966335,0.24926557909869373,0.03938912577312281,0.013129708591040937,-0.9702796489134198,5.7780990007836825,1.9260330002612276,0.5262224207967826,6.642353014604328,3.1216792682731516,5.787958588915702,6.509354855251653,2.169784951750551,3.185504840783211,-0.3989944780580248,0.027418940277593062,0.009139646759197687,-1.0789563760155005,5.910236073771031,1.9700786912570105,0.5330057326262243,4.734876666774443,2.491685733496691,4.1620799564986335,4.817708266847422,1.6059027556158074,2.6271108444592204,0.2484948002189391,0.03923865920425451,0.013079553068084837,-0.971427844192625,5.787544407475442,1.9291814691584808,0.5267124277142496,8.671219128493659,3.7944624320772546,7.74198167144012,8.310454373713943,2.770151457904648,3.825778388392247,-1.0822942643391502,0.03465987580281582,0.01155329193427194,-1.0086517734003828,4.697206729153498,1.5657355763844993,0.464090405728802,4.955509714837183,2.5643219503577415,4.324553093799051,5.01322111012995,1.67107370337665,2.6875708516623535,0.17313418587829954,0.025291660973598695,0.008430553657866232,-1.1031841630101606,7.024877855767112,2.3416259519223708,0.5848373483967715,3.6855202082215843,2.176093437444125,3.5188535415549174,3.9077424304438066,1.3025808101479355,2.3905429188655702,0.6666666666666659,0.1906045917195156,0.0635348639065052,-0.49726625915514705,3.749443910462965,1.2498146368209884,0.3964822615328942,0,11.996688082302056,15.997941441668596,-0.42212521092152083,0.06694086401318723,3.312473145641824,4.351780764345299,2.0,8.0,8.0,8.0,2.0,0.0,0.0,0.0,0.0,0.0,6.559242,3.1598636420015183,2.133604851549179,1.2440915182534567,0.08392307051869137,0.08392307051869118,0.08392307051869108,0.39106996156925955,0.9111916984982631,1.6515001667395461,0.9111916984982631,0.39106996156925955,0.08392307051869108,0.08392307051869118,0.08392307051869137,1.2440915182534567,2.133604851549179,3.122199848339224,2.025860671109901,1.1929889381023389,0.2709139018929375,0.2709139018929372,0.270913901892937,0.3363839800254774,0.8681386997336396,1.6089859676966816,0.8681386997336396,0.3363839800254774,0.270913901892937,0.2709139018929372,0.2709139018929375,1.1929889381023389,2.025860671109901,3.353704786151087,2.4635576719907126,1.7705639324813853,0.9439184268026224,0.9439184268026221,0.9439184268026218,0.28784577404136785,0.3866347128802031,1.3266193891477858,0.3866347128802031,0.28784577404136785,0.9439184268026218,0.9439184268026221,0.9439184268026224,1.7705639324813853,2.4635576719907126,3.1335351534131286,2.034425484892991,1.2089687700813057,0.3992772455089821,0.399277245508982,0.3992772455089816,0.2751764970259154,0.8400052642497293,1.583676389626751,0.8400052642497293,0.2751764970259154,0.3992772455089816,0.399277245508982,0.3992772455089821,1.2089687700813057,2.034425484892991,3.4176820164147315,2.5629285993746715,1.931801269500146,1.2076448229620889,1.2076448229620884,1.2076448229620882,0.44910487443732755,0.27169472610638695,1.2575014915390212,0.27169472610638695,0.44910487443732755,1.2076448229620882,1.2076448229620884,1.2076448229620889,1.931801269500146,2.5629285993746715,4.148507172211149,2.890490183684177,1.7197963119367181,0.5714285714285721,0.5714285714285717,0.5714285714285712,0.27074414679262204,0.49630498043886295,1.3903756913286656,0.49630498043886295,0.27074414679262204,0.5714285714285712,0.5714285714285717,0.5714285714285721,1.7197963119367181,2.890490183684177,0,0,0,0,0,2,0,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.7071067811865475,1.414213562373095,0.7071067811865475,0.0,0.0,0.0,0.0,0.0,0.9023689270621825,0.7071067811865475,0.7071067811865475,0.0,0.0,0.0,0.0,0.0,2.1543203766865053,1.0233345472033855,0.31622776601683794,0.0,0.0,0.0,0.0,0.0,0.7181067922288351,0.5116672736016927,0.31622776601683794,0.0,0.0,0.0,0.0,0.0,4.3402825157744775,8.994173343044427,8.525490196078433,8.68,4.875902994011976,70.49659161676648,0.48225361286383084,0.999352593671603,0.9472766884531593,0.9644444444444444,0.541766999334664,7.832954624085165,-0.0014000000000000123,12.759800000000002,2.7320508075688785,4.7320508075688785,5.464101615137757,1.8213672050459189,2.832072756761436,5.551115123125783E-16,1.8503717077085943E-16,-10.538208797172901,2000000.0,666666.6666666666,4.352597321557266,6,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8388888888888888,0.0,7.569444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8388888888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7611111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6805555555555556,0.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.569444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8388888888888888,0.0,7.569444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8388888888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6805555555555556,0.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.569444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8388888888888888,0.0,7.569444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8388888888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6805555555555556,0.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.569444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.5,3.1666666666666665,0.8388888888888888,7.569444444444445,0.3111111111111111,0.25,0.8465,1.25,1.5694444444444444,3.138888888888889,1.25,1.5694444444444444,3.138888888888889,1.33333,0.44444,0.0,0.05556,0.51852,0.95556,0.40909,0.51852,0.79167,0.10943,0.0,-0.10943,0.16389,0.46511,0.24918,0.0,0.625,0.0,0.0,1.25,0.41667,1.25,0.41667,0.0,0.0,-1.25,-0.41667,0.0,0.0,1.38742,0.46247,1.91421,0.52679,0.1756,1.05409,0.35136,1.41421,0.36012,0.12004,0.0,0.0,0.0,0.0,0.0,2.01,1,1,1,1,1,1,1.0,1.224394445405986,1.8799649487271113,2.4193819456463714,2.0671680565972257,0.8805347226228646,-0.0,11.019550008653875,16.919684538544,21.774437510817343,18.60451250937503,7.924812503605781,-0.0,0.38625344285713004,0.593062910911687,0.7632300273809491,0.6521189162698381,0.2777777777777778,-0.0,1.9455305560363265,1.2899600527152013,0.7505430557959412,1.102756944845087,2.289390278819448,3.1699250014423126,0.4081314818019954,0.6266549829090371,0.8064606485487905,0.6890560188657419,0.29351157420762153,-0.0,11.813124321170807,14.91653023310312,15.46016818528462,11.233601516694868,0.8874249350044996,-0.0,10.944027785790624,9.752038632684702,9.945865282505359,7.832581948210483,1.9371763897703023,-0.0,3.0,2.0,0.0,3,0,2,1.5699999999999998,0.44910000000000017,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.385,0.375,0.449,0.20500000000000002,1.6219999999999999,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,1.0986122886681098,0.6931471805599453,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9459101490553132,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,0,1.0,2.0,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25,2.7320508075688785,4.7320508075688785,5.464101615137757,1.8213672050459189,2.832072756761436,5.551115123125783E-16,1.8503717077085943E-16,-10.538208797172901,2000000.0,666666.6666666666,4.352597321557266,20.23,51.93865465309452,2.584962500721156,1.9459101490553132,2.1972245773362196,2.5649493574615367,2.833213344056216,3.2188758248682006,3.4965075614664802,3.8918202981106265,4.174387269895637,4.574710978503383,33.89759936075361,1.6094379124341003,0.0,2.1972245773362196,0.0,2.833213344056216,0.0,3.4965075614664802,0.0,4.174387269895637,4.852030263919617,46.041864812,5.115762756888889,4.914213562373095,1.6380711874576983,2.2071067811865475,2.2071067811865475,0.0,4.0,0.0,-0.07600000000000001,6.0,1.179,2.039621484243662,2.690252074476381,2.5858570139890986,0.0,0.0,0.0,0.0,0.0,0.0,71.461967505625,52.4140999577699,15.505868068029251,2.627396221061819,0.0,0.0,0.0,0.0,0.0,0.0,223.15113917820705,210.84547616881093,135.26638736615004,80.3781185577656,0.0,0.0,0.0,0.0,0.0,0.0,9.260396696499999,15.563233928794132,20.099910930967948,17.37298725763326,0.0,0.0,0.0,0.0,0.0,0.0,1.60323436349525,1.7541745517795415,1.384289066142471,1.1497053985138541,0.0,0.0,0.0,0.0,0.0,0.0,179.33321467912023,340.30844593208633,491.7580249541342,478.1706074972997,0.0,0.0,0.0,0.0,0.0,0.0,4.106999999999999,6.269674324671531,6.420524915559368,2.5858570139890986,0.0,0.0,0.0,0.0,0.0,0.0,0.3822711375000001,0.44468646719272703,0.37363336547022974,0.26479175823248374,0.0,0.0,0.0,0.0,0.0,0.0,298.74379745704886,130.7948073908777,15.739928796004248,107.79934222449549,-47.196274276266195,-19.16417318938925,190.94445523255337,177.9910816671439,34.904101985393496,0.7348391063518193,0.3217243008782109,0.03871650326785427,0.2651608936481808,-0.1160916755679022,-0.04713933484254841,121.452241378576,53.17373165073028,6.398960071091517,43.82508304355167,-19.187321525544565,-7.791063137815181,0.47899245271108337,0.9044551442370149,13.489082464884065,37.42616424254248,337.0019818927715,69.5411577887729,0.8289451942461845,0.17105480575381563,159.7614680474546,12.639678320568708,5.426136077530338,226.22758052034854,15.040863689308155,6.093243262292267,194.23621035478277,13.936865155219905,5.791308924950388,1.246666748075609,1.0907912492973595,59.27156137705737,50.142784977761224,15.828857983881534,1.182055631799168,3.744525438121523,3.167808127966113,2.219699475504543,2.1518300908516808,3.0965690674687893,0.4390397646327117,2.108840176772076,1.3336803650110265,2.7032437015258597,0.3412201296615573,4.709543888733856,1.7089532640277382E-7,7.152525964920991E-36,5.775512167620669E-86,8.994923673729612E-158,2.7019690291585385E-251,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1968853938602263,1.458312792528247,0.25670976792972244,0.19202086569475088,0.1156134638387478,1.9098850556387015E-8,7.995662721144076E-37,6.456327316671445E-87,1.0055241810737405E-158,3.020476097274909E-252,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5161209711645991,1.2222381779377829,0.5681590372749237,0.11912766402008544,0.4403052565411413,3.308775348848218E-8,1.3850795753589003E-36,1.118422239184607E-86,1.7418581044450481E-158,5.232336395632651E-252,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2135311679791565,1.4599694315296619,3.0461769364401015,0.37723783022204993,4.483450450146027,2.1463278686453355E-7,8.983838027062292E-36,7.254257669570505E-86,1.1297958025826129E-157,3.393773397729999E-251,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.69376653040636,1.1326750900539715,0.6959840810400739,0.10070621793467621,0.7762502239748598,3.2767357296696904E-8,1.371487641602523E-36,1.1074470257072757E-86,1.7247650389845842E-158,5.180990842115125E-252,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.7273601178111915,1.4149506573292683,3.723437008339052,0.4624862141800338,6.870082255823375,2.495940290765876E-7,1.0446327329907678E-35,8.43518652006462E-86,1.3137165452966611E-157,3.946249626166012E-251,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2191444003456327,2.054710012648253,3.6784463396027713,0.6674815198055977,2.8228569209119923,3.347344432210765E-7,1.4013111706849245E-35,1.1315289144690366E-85,1.762270760567433E-157,5.29365360814734E-251,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0652416108950409,0.7261168367226984,0.3693366833333333,0.49300875243151665,0.33605705234457756,0.7209833724722772,0.5329853968526694,0.44442729899099,2.1606951309510727,1.4351042565527832,3.8814775702562954,0.24359870716414136,1.6983960683159367,1.1813935911375295,0.27102946750038354,0.07273052141787317,0.7746063128241271,0.17770634449185765,0.7620140490123586,0.0674581716714402,0.017234125062059118,1.525153580055786,0.42582796228844805,1.974269308071566,0.6619094692361905,0.8467063457458579,0.988721553570078,0.48327512438473363,0.2074809588254593,0.5887077814656452,0.2877532357687245,0.5937561917115858,0.231844115102811,0.14025305522321646,1.679477636780271,0.7832358139134017,2.5618529426984282,0.3830616721984678,0.9658533620376133,1.1052759578276916,0.6993051813237088,0.34884954849785416,0.5132628434092958,0.3247400463523114,0.7275102362411949,0.48028189473081984,0.3964899361400374,2.1534306876492546,1.4024525197221391,3.825517815844789,0.2698942651139438,1.6042820671120521,0.9503143922201335,0.5694555035827926,0.27219770448893976,0.5303189589283598,0.31778225426064777,0.6082555154412262,0.33091528144288956,0.24139304587439658,1.791967600291866,0.9548396377726432,2.894110227107023,0.29547843839253973,1.1805638427585126,1.0871442328723062,0.749813252478767,0.383945470273693,0.48950550951312494,0.3376163963309399,0.7389820193672286,0.5652508440772761,0.4802804781745902,2.220902955624766,1.5204466587494165,4.054324743001574,0.24068285876609727,1.7845133416190948,1.1027898922748056,0.7007468546534655,0.3502457215705766,0.5120247324900145,0.325356374147606,0.7268139794699618,0.48325084152260883,0.3996699679146632,2.153782468498848,1.4044575776621468,3.8289017259524827,0.26803709873502174,1.6097347889072338 +UMLCN0060,L,octanal,CCCCCCCC=O,Aldehydes,,C8H16O,Marquardt (2015),IQT,PubChem,,102.5,0,-1.546299999999999,2.3910436899999965,31.299800000000005,25.550687999999976,0,0,25,9,16,0,8,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1426.3379929999983,1395.7262439999995,1422.0187469999983,1264.7584819999968,1068.0017529999975,871.2450240000002,674.4882950000001,477.73156600000016,280.9748370000002,4101.865901853882,5103.1336762494275,6418.223501450156,6208.3649090318895,5201.566564076768,4194.768219121651,3187.9698741665256,2181.1715292113977,1174.3731842562713,181.17126800000005,176.699608,324.50802,425.61895999999973,362.73405999999994,299.8491600000001,236.9642600000002,174.07936000000007,111.19445999999998,30.06821047758398,38.67834896000001,53.78826480964105,55.527600747772084,46.50607188837607,37.48454302898003,28.46301416958398,19.441485310187993,10.419956450792004,4158.488566910484,3490.864584451401,7050.983945830592,10010.319064045874,8531.363909007277,7052.408753968682,5573.453598930085,4094.4984438914885,2615.543288852892,86.5,57.25,85.5,103.25,91.0,78.75,66.5,54.5,44.0,57.05351971999993,58.15526016666664,31.60041659999996,21.07930803333328,20.941210843137206,20.743929142857148,20.439039242424247,19.905481916666673,18.731655800000013,164.07463607415528,212.63056984372614,142.62718892111457,103.47274848386482,101.99150125640722,99.87543378861074,96.60514770201593,90.8821470504749,78.29154561708475,7.246850720000002,7.362483666666667,7.211289333333333,7.093649333333329,7.112432549019607,7.139265714285717,7.180735151515157,7.25330666666667,7.412963999999999,1.2027284191033591,1.6115978733333336,1.195294773547579,0.925460012462868,0.9118837625171778,0.8924891197376197,0.8625155808964842,0.8100618879244997,0.6946637633861336,166.33954267641937,145.45269101880837,156.68853212956873,166.83865106743124,167.2816452746525,167.91449414211147,168.89253330091165,170.60410182881202,174.3695525901928,3.46,2.3854166666666665,1.9,1.7208333333333334,1.7843137254901962,1.875,2.015151515151515,2.2708333333333335,2.933333333333333,0.1459568525918389,-0.027092653889750802,-0.044309699064171475,-0.004164732269062934,-2.830171952746324E-4,-2.7464315708696646E-4,-7.561990999919912E-4,0.0021302872347948062,0.015515452606959391,768.7745440000008,-47.36742975999952,-327.0287397999995,16.857272799999702,15.010935359999745,13.164597919999789,11.318260479999832,9.471923039999876,7.625585599999919,1217.0821791610597,-96.77620441714221,-583.7317045778602,9.513218517834154,9.267178905555959,9.021139293277876,8.775099680999737,8.529060068721598,8.283020456443545,1.10707456,-0.0038738175999985264,-0.08953148799999969,3.88095999997614E-4,-0.014320742400001698,-0.029029580800000954,-0.04373841920000021,-0.05844725759999947,-0.07315609599999875,5.405687815450234,-0.4580209896853374,-2.5456460489361405,-0.03292575518249691,-0.033497129626330946,-0.03406850407016543,-0.03463987851399969,-0.03521125295783373,-0.035782627401667544,29.769714222906217,-2.5303949541912454,-13.727019720725043,-0.3142248756648549,-0.3234175739325267,-0.332610272200202,-0.34180297046787733,-0.3509956687355509,-0.36018836700322354,34.65999999999996,1.8964000000000012,-1.907999999999999,-0.5739999999999998,-1.2463999999999995,-1.9188,-2.5912000000000006,-3.0136000000000003,-1.2159999999999997,0.005838274103673557,-0.0011288605787396168,-9.846599792038106E-4,-6.941220448438223E-5,-5.549356770090831E-6,-6.539122787784915E-6,-2.2915124242181552E-5,8.876196811645026E-5,0.001034363507130626,30.75098176000003,-1.9736429066666465,-7.267305328888878,0.2809545466666617,0.29433206588234795,0.3134428076190426,0.3429775903030252,0.3946634599999948,0.508372373333328,48.68328716644239,-4.032341850714259,-12.971815657285783,0.15855364196390256,0.1817093903050188,0.2147890307923304,0.2659121115454466,0.3553775028633999,0.552201363762903,0.044282982400000004,-1.6140906666660526E-4,-0.001989588622222215,6.4682666666269E-6,-2.807988705882686E-4,-6.91180495238118E-4,-0.0013254066424242489,-0.002435302399999978,-0.004877073066666584,0.21622751261800935,-0.019084207903555726,-0.0565699121985809,-5.487625863749484E-4,-6.568064632613911E-4,-8.111548588134625E-4,-0.001049693288303021,-0.0014671355399097387,-0.002385508493444503,1.1907885689162487,-0.10543312309130189,-0.30504488268277874,-0.005237081261080915,-0.006341521057500524,-0.007919292195242905,-0.010357665771753859,-0.014624819530647953,-0.0240125578002149,1.3863999999999985,0.07901666666666672,-0.04239999999999998,-0.009566666666666664,-0.0244392156862745,-0.04568571428571429,-0.07852121212121214,-0.1255666666666667,-0.08106666666666665,-0.19335518660032003,-0.16865600376389372,-0.011889165060048603,-9.505132290035965E-4,-0.0011200438128916165,-0.0039249825950725585,0.015203460224760514,0.17716939779853505,-0.06418146002850234,-0.2363275873794044,0.009136441524352211,0.009571468910472523,0.010192936604930114,0.011153386678182754,0.012834174306374874,0.01653190708839754,-0.08282805220050486,-0.266453159026355,0.003256839280836285,0.0037324798895312043,0.004411966473381145,0.005462082102967381,0.007299784454743295,0.011342729628650423,-0.003644945708683913,-0.04492896626181653,1.4606664492920196E-4,-0.0063410108210839155,-0.015608264343959767,-0.029930383424767903,-0.05499409181618214,-0.1101342502772935,-0.08825985034231126,-0.2616221752433425,-0.0025378943675146482,-0.003037571192069877,-0.0037513952271488247,-0.004854577826816258,-0.006785147376234224,-0.01103240038495368,-0.08854059053258956,-0.2561704828594415,-0.004397994234902042,-0.005325480293510056,-0.006650460377235859,-0.008698156870266649,-0.012281625733070465,-0.020165257231238812,0.05699413348720918,-0.03058280438545876,-0.006900365454895177,-0.01762782435536247,-0.032952765641744326,-0.056636765811607204,-0.09057030198115033,-0.05847278322754381,0.969732265845351,0.8503983665371252,0.6879102920679836,0.7547954222345806,0.8665489289915235,1.0419508245300537,1.330989645528953,1.8775909581042605,1.2701775203420362,1.2593141488479527,0.8769667383783715,0.8835098461049242,0.8928571428571423,0.9073029651105702,0.9325831540540698,0.9881995697297687,1.4939366264060547,1.4069635550670812,0.9209568940127334,0.9093864082427847,0.892857142857143,0.8673119145338792,0.8226077649681678,0.7242586359236016,0.5437393485042233,0.6302149453541169,0.6592755595431619,0.7554562114959775,0.8928571428571427,1.1052040367789433,1.4768111011420941,2.2943466427410266,1.5591182041077658,1.4282035711039132,0.9228860250042549,0.9105211911789738,0.8928571428571439,0.8655581590870433,0.8177849374893666,0.7126838499744782,1.5624870863910174,1.4209781443044442,0.9188241273000866,0.9081318395882864,0.892857142857143,0.8692507933635577,0.8279396817497834,0.7370552361994805,0.4688401615695331,0.5904981727255249,0.6448355452971732,0.7518414174671608,0.9047069491385716,1.1409536799034792,1.5471725331794592,2.3312175418349708,52.708893766126124,26.479446883063055,42.77410387215071,52.90333821057057,5.878148690063395,26.47944688307538,0.24999999999998224,0.05710888658355756,0.0063454318426175065,-2.576515988244021,57.47042325721901,6.385602584135445,3.646143393597151,52.71088446622423,26.48007502266147,42.7749924241608,52.90475769441211,5.878306410490235,26.480075022673784,0.2492655790987115,0.05707975054595654,0.006342194505106282,-2.576975270972481,57.483828955720355,6.387092106191151,3.646353305426833,54.477705735931195,27.03935562893659,43.58204837941209,54.167376697441625,6.018597410826848,27.03935562894303,-0.39899447805801813,0.030270267586429978,0.0033633630651588864,-3.1478303843998257,82.77632310615407,9.197369234017119,3.974527860907215,52.71297374538304,26.48073427280098,42.775925025402806,52.90624747888664,5.878471942098516,26.480734272813287,0.2484948002189249,0.0570491691777239,0.006338796575302656,-2.5774575892514013,57.49791461748329,6.388657179720365,3.646573811661234,56.35873639847773,27.63822106706927,44.48525691933627,55.51695197065836,6.168550218962039,27.638221067072656,-1.0822942643391933,4.4366824826708173E-4,4.9296472029675747E-5,-6.948390117063801,85.03548735860673,9.448387484289636,3.9987618009288166,52.917385195891086,26.545259690884688,42.86740948608801,53.05204511824087,5.894671679804541,26.545259690896064,0.17313418587829332,0.054044616056864725,0.006004957339651636,-2.626150815249436,58.96121702809139,6.551246336454599,3.669191900331402,57.864360178246415,28.8664291189253,47.24033818071444,58.22150303538925,6.469055892821027,28.86642911892658,0.6428571428571104,0.092338002927279,0.010259778103031001,-2.144069540569856,45.606167206990705,5.067351911887856,3.4380386578285167,0,11.988630396091402,16.005925251007607,-0.38946365007301553,0.20634956336916233,3.4381272926118287,7.207755198012582,8.0,24.0,23.0,23.0,7.0,1.0,1.0,0.0,0.0,1.0,18.449311999999995,3.512955059071675,3.312620812179559,2.96950744901303,2.524845021821129,2.047678331178624,1.6181024893329707,1.2999518880767258,1.115510736250128,1.9089439782787179,1.7271785937443034,1.4577215730344262,1.155277772099189,0.8845111680196233,0.6870145321685911,0.5662988124393764,0.5062998518141419,3.5238165597316424,3.2988235998101447,2.9471261628537064,2.513273143444251,2.0640026120627324,1.6735767108874735,1.3940801580998095,1.2359326965755146,1.8530179162254448,1.6744196022352917,1.4044886226144129,1.0915793704657202,0.7987871153725347,0.5746140020602909,0.43049121744832297,0.3535891394032072,3.6559754195882856,3.4626380945412274,3.1541110460137105,2.773329385963312,2.3877765706548795,2.0664554407857003,1.8465717401985593,1.7257714179348953,1.6703508268225544,1.4585457985574948,1.1381690187085898,0.7611453837037553,0.39623577500133444,0.10512646122746648,0.08743083915533632,0.19128988751224502,3.54152149365046,3.31186249410796,2.9586589409356816,2.5305614257488025,2.0958690482644378,1.7264762276930794,1.4675342833919536,1.322968209933356,1.8186833068316415,1.644003290126455,1.3731730573663128,1.0505661518698428,0.7398290038105294,0.49532344110539983,0.3350087792661366,0.24851072429453622,3.7116599854654644,3.5178235962141713,3.21841092281138,2.8594484188659854,2.507019446578145,2.2227324646318958,2.0329961549787603,1.9299631265636459,1.616074448917066,1.401346737075661,1.0716722171554276,0.6753258120951654,0.2801603988145939,0.04644041799438713,0.26912349527697915,0.39133266070607403,5.012277501565899,3.5117274062636357,3.252719073568538,2.8479933389922962,2.385502613288381,1.9664308866193063,1.6600718387338822,1.4798945350709767,1.7855746876678484,1.5305249896357775,1.1789085761148634,0.8104548873600225,0.4905489478679137,0.25735342575053494,0.11600129433624526,0.044612228894539946,0,0,1,0,0,1,6,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.949747468305834,4.414213562373095,2.767766952966369,1.7071067811865475,1.0303300858899105,0.6035533905932737,0.33838834764831843,0.17677669529663687,0.7721941631450926,0.5517766952966369,0.39539527899519555,0.2845177968644246,0.2060660171779821,0.15088834764831843,0.11279611588277282,0.08838834764831843,6.228239246772775,3.8510573320459263,2.3695553636345745,1.4255286660229631,0.8312242912240134,0.4627643330114816,0.2388354503153699,0.10163156619814272,0.6920265829747527,0.4813821665057408,0.3385079090906535,0.23758811100382718,0.16624485824480267,0.1156910832528704,0.07961181677178997,0.05081578309907136,13.049421534703852,24.433357611070644,23.152941176470595,23.479999999999997,14.86867544910179,192.38056167664672,0.521976861388154,0.9773343044428258,0.9261176470588238,0.9391999999999999,0.5947470179640716,7.695222467065869,2.545800000000001,39.440000000000005,27.742189319152196,44.32390805791539,55.48437863830439,6.164930959811599,27.74218931915535,1.2212453270876722E-15,1.356939252319636E-16,-30.905014767190856,2000019.3289432311,222224.36988258123,13.057800662654222,96,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,7.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,6.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.8375496819098,1.0058985260770976,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5681444869614513,0.0,0.0,1.8940651769967247,0.4013888888888889,0.0,0.5681444869614513,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.194170131015369,0.0,6.962381660997733,0.0,1.0058985260770976,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.8375496819098,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.8375496819098,1.0058985260770976,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5681444869614513,0.0,0.0,0.21933834876543212,0.4013888888888889,0.0,0.5681444869614513,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.194170131015369,0.0,0.7536848072562358,0.0,1.0058985260770976,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.8375496819098,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.8375496819098,1.0058985260770976,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5681444869614513,0.0,0.0,0.4013888888888889,0.4013888888888889,0.0,0.5681444869614513,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.194170131015369,0.0,1.318310657596372,0.0,1.0058985260770976,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.8375496819098,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.0,2.2222222222222223,0.6377903360418241,9.8375496819098,0.21933834876543212,0.7536848072562358,4.5854010445011335,0.9941014739229025,2.837549681909801,6.06343962585034,0.9941014739229025,2.837549681909801,6.06343962585034,4.33333,0.48148,0.0,0.01852,0.47467,0.78519,0.42414,0.47467,0.78519,0.05053,0.0,-0.05053,0.0,0.61321,0.10108,0.0,0.19231,0.0,0.0,5.75,0.63889,4.25,0.47222,1.5,0.16667,-2.75,-0.30556,0.0,0.0,7.52779,0.83642,9.36685,1.83906,0.20434,3.67274,0.40808,4.41421,0.74147,0.08239,-2.1E-4,-2.0E-5,-2.1E-4,-2.0E-5,0.0,8.01,1,1,1,1,0,0,0.875,1.1238561897747248,1.8353362134321414,2.774693951646702,3.273269689515108,2.917405811425518,2.4973206585968413,28.09640474436812,45.88340533580354,69.36734879116754,81.8317422378777,72.93514528563794,62.43301646492103,0.24200925779082827,0.3952181416542045,0.5974978204011316,0.7048602617631654,0.6282291466840283,0.5377687328250333,3.5199999999999996,2.808519976342583,1.8691622381280224,1.3705865002596163,1.7264503783492064,2.146535531177883,0.24200925779082827,0.3952181416542045,0.5974978204011316,0.7048602617631654,0.6282291466840283,0.5377687328250333,9.698823505695543,15.863750876162081,18.945030882643483,18.900048214372624,15.239449257334357,16.5309153707937,33.32875243896086,25.57962360177673,22.09260809346884,22.097357550625873,27.62129111901498,25.845582159313935,9.0,8.0,8.0,9,1,8,2.23,1.251500000000001,0.0,2.070996628837124,0.0,0.0,9.333258269463991,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.42300000000000004,0.41500000000000004,0.622,0.171,4.409,7.0,6.0,5.0,4.0,3.0,2.0,1.0,0.0,0.0,45.0,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.0,0.0,3.9889840465642745,1.1777777777777778,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.75,7.0,0.875,0,4.0,8.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.0,0.0,0.0,0.0625,0.03174603174603176,0.020833333333333332,0.016000000000000004,0.013888888888888888,0.01360544217687075,0.015625,0.0,0.0,0.0,0.17419869614512473,27.742189319152196,44.32390805791539,55.48437863830439,6.164930959811599,27.74218931915535,1.2212453270876722E-15,1.356939252319636E-16,-30.905014767190856,2000019.3289432311,222224.36988258123,13.057800662654222,17.07,153.07810370749456,4.169925001442312,3.4339872044851463,4.04305126783455,4.672828834461906,5.303304908059076,5.942799375126701,6.580639137284949,7.223295679562314,7.8636512654486515,8.507344855361422,70.57090252762471,2.833213344056216,0.0,3.8066624897703196,0.0,4.919980925828125,0.0,6.09807428216624,0.0,7.311218384419629,7.671360923190644,128.120115132,5.12480460528,16.82976753783411,1.8699741708704565,2.410977518917055,2.410977518917055,0.0,120.0,6.0,3.432,30.0,1.2359583333333333,2.141023703875412,2.866730998936944,3.5996617869735306,4.943847271235013,5.948893297221141,7.271937408250966,8.344561719370535,9.653758956270933,0.0,82.65488408762498,75.32230695845645,73.62622165420031,97.93394061747097,122.14249341070536,145.03747920767364,165.15490676226656,177.5688875791651,86.5447987186007,0.0,288.25463982328756,325.84644673578435,327.04732216664485,434.34022623083246,544.464164061476,639.354950423509,709.4843611310098,696.6508951173172,558.7059352200166,0.0,9.1314831825,15.491964727649865,20.41059740629532,25.883422702477954,35.50365747559888,43.05688116174467,53.060879347786816,62.36942366313801,78.83714919847615,0.0,2.130889087186666,2.6810761414999886,2.818482946447227,3.70065556399467,4.706635005410726,5.517603655601377,6.158039544554182,6.004865036037159,4.750009240532027,0.0,177.58435748695305,332.13777937530114,474.79729267141676,588.2982311510481,821.5146666035781,991.7065172523646,1231.7786475623932,1446.4064256582944,1786.5044065857126,0.0,3.0033229166666664,4.175686259384081,5.117666854483002,7.013538064137501,9.760801667938736,12.79705368549329,17.374626923023957,26.179072454647653,40.12281887573698,0.0,0.45177906250000005,0.5815745650387409,0.6233519081224603,0.8230245447157064,1.0604866299988998,1.2646962945819675,1.4594035057466417,1.5499907511825772,1.5085502064143643,0.0,381.2226801105432,240.3831966152113,14.233778788903829,117.52532856215866,-74.10659343466322,-19.859628841914628,263.6973515483845,314.4897900498745,34.093407630818454,0.7643593026568184,0.48197324587808077,0.028539018785826563,0.23564069734318163,-0.14858524173736581,-0.03981896367820348,190.13405256600385,119.8906406302152,7.099068826853527,58.615523588981645,-36.96051590505581,-9.904950337883877,0.1898071857513166,0.4802749540526547,5.145433185151082,25.194296531085328,446.28993997998555,52.45806869271631,0.8948204949583239,0.105179505041676,567.3014486077151,23.81809078426974,8.278239066193303,722.2940259163173,26.875528383946563,8.972318344562806,868.3815720976805,29.46831471424317,9.5404794316297,2.947184358844431,2.9235414628269227,1379.6144740365542,1354.4546598195243,48.50606122915701,1.0185756046056074,28.442104740660067,27.92341050782662,4.6938687573046645,5.6454556919422005,10.433730907891063,0.8481645197894656,4.475623891069145,6.68329633329087,3.2351799405109136,27.37764118533686,11.884563509564547,0.4206850511194109,4.532997973141935,6.400270221853683,16.241309018180203,0.6556623142432604,1.6326093810767475,9.915179808064941,2.323454351742811,7.0331976025917315,1.1712851195857081,1.4434212075908515,0.009364374408777201,0.6325984750051452,0.027205563752285677,1.2891562358920803,2.370900912302692E-14,8.410022518609038E-50,5.753827245751378E-107,7.592632558959408E-186,1.9324303617128536E-286,0.0,0.0,0.0,0.0,0.0,0.3921018639880303,6.683048425202467,0.26954152998263553,6.305056433662218,0.08590518881000697,0.4653067593160418,0.6268369354708385,0.18225452146329948,4.327954447171462,0.02315290539115978,0.7079196782974527,0.6230184546707715,0.07556086742311698,1.9746918738878045,0.05591048493949345,0.9576834505195804,6.933499625347465E-4,0.05017782198023099,0.03623842665132468,0.14411214762804186,2.6503817983612306E-15,9.401392732807613E-51,6.4320861845901736E-108,8.487649159646417E-187,2.1602245082060492E-287,0.0,0.0,0.0,0.0,0.0,1.218374690715484,6.682947702932482,0.7259236188322769,7.700504385181317,0.8776204166491557,0.25489231389261263,1.4098509110335982,0.8221626821882317,5.834330442921296,0.09574196058453442,0.46145167442920093,2.121134642443459,0.3225537406479747,2.7793819453734443,0.2084160996581259,0.6697325811530601,0.0018247811895492154,0.11069060800533997,0.01944643893028216,0.24964383454889486,4.591226250192575E-15,1.6285925722069514E-50,1.1142229754388954E-107,1.4703058121018075E-186,3.742132350334375E-287,0.0,0.0,0.0,0.0,0.0,4.2297347028332375,6.683327640559786,3.338688919759553,25.20115204666641,10.591027757448668,0.5282387660093394,4.338383977056206,5.796977412129882,15.840835003143463,0.5969457796424296,1.6900084425853543,9.20562338560743,2.110905721496791,7.222081674521569,1.076411397840953,1.6566974407283575,0.008617195165057968,0.6994321617855337,0.03620142060488403,1.6192280857678074,2.977939553708535E-14,1.0563300463460237E-49,7.227020602766255E-107,9.536628332620004E-186,2.42720426613818E-286,0.0,0.0,0.0,0.0,0.0,1.7880846985603311,6.682928645205618,0.9978105607759808,9.527789360630296,1.9009492406631276,0.1792890510480003,1.939045060623156,1.4482982667637478,6.992207327851183,0.16235391039008215,0.43382073600184484,3.267819788792404,0.5550098725606292,3.2603492025303558,0.335424802259904,0.5929354247274441,0.0027886425266868834,0.13835195165384132,0.013065146119836243,0.24719404923351457,4.546171988517599E-15,1.612610995192084E-50,1.1032889698455993E-107,1.4558775223180282E-186,3.7054103503834285E-287,0.0,0.0,0.0,0.0,0.0,5.404987032256951,6.683481572889484,4.249322108994535,36.9476012253331,17.326019693221475,0.5264033229391442,5.455667561325811,8.886781622787256,20.61583978950097,0.895765765315846,2.2464225889099354,12.703722985419594,3.1955485827087227,8.679305216793614,1.5527522161282963,1.7920073666649188,0.012425084106650944,0.8961721560464673,0.032902065416672,1.8828240661007976,3.462721718081609E-14,1.2282912151085702E-49,8.403515500191139E-107,1.1089106897254298E-185,2.822331607137659E-286,0.0,0.0,0.0,0.0,0.0,2.81616090683277,6.24649794088431,3.8593100419869453,14.813856215331665,4.510283795152952,1.4143740706664865,3.16241705057079,2.761628727694725,14.11439796309058,0.29394843177107843,2.530499954190527,5.6752795883130345,1.0256918790859793,8.905450611263355,0.5609488033121621,3.458111014265418,0.005598077771994865,1.0902770336573773,0.14423740703119292,3.41740824662516,6.284991767524296E-14,2.2294024191342303E-49,1.5252749148500695E-106,2.0127215304223755E-185,5.122655633416323E-286,0.0,0.0,0.0,0.0,0.0,9.233489585094437,0.8022601160811942,0.4632996060000014,0.8794595886680671,0.07641264390794746,0.5326279877490554,0.6188979372799202,0.5599893240808737,10.499049307175634,12.057219308841663,25.988234772937417,0.8191893830021008,1.711515249109849,11.075619857271146,0.2874584581903816,0.09105915900011692,0.966953634175035,0.02509647355213819,0.7674110729446504,0.0784209821638025,0.021632322836989997,11.454137474461646,4.218492962732331,15.962542821769647,0.9504304512625524,0.8674643779454428,9.49282476079754,0.5005394488453354,0.240459517061974,0.9275931474201872,0.048910305884905275,0.5632608836135469,0.2399214752165849,0.15084809388700793,10.233823726704848,7.154532805430094,18.53090792844596,0.8913897211302807,0.9540304527171397,9.56593145425882,0.7787815281566266,0.4474590048111607,0.8863768540365052,0.07216170471322884,0.5717522615254037,0.5826514021078966,0.5223509519502701,10.792171987226608,12.078605692357934,26.2042446703219,0.8295652810547578,1.6767546155835702,8.99375435956291,0.5989884862448223,0.3110313880384206,0.9081138308693215,0.06048083004535572,0.5054282215994006,0.34453586503702943,0.25238545492175013,9.903774233846153,8.370799431919568,19.950148059255678,0.8621707463039824,1.10234954155818,9.299916917601344,0.8380644435403739,0.4902453298602412,0.8750205643877369,0.07885270684430298,0.5403063454422747,0.6754688671691407,0.6270220537072532,10.62822669100196,12.764027713031176,27.21319203901174,0.8125308465816055,1.8427972663186685,9.667440249439675,0.7778985082868304,0.44739232339055807,0.8875129825061528,0.07141446001869496,0.5839458074874184,0.5813678680951786,0.5221952795519178,10.892731081117063,12.193451724411894,26.450701635158744,0.8312694737592292,1.6875089551345148 +UMLCN0061,L,hexanal,CCCCCC=O,Aldehydes,,C6H12O,Marquardt (2015),IQT,PubChem,,75.2,0,-0.9702999999999992,0.9414820899999984,25.476600000000005,19.363515999999994,0,0,19,7,12,0,6,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1133.7454949999988,1058.7696499999997,1034.601672999999,871.2450240000002,674.4882950000001,477.73156600000016,280.9748370000002,51.429168000000004,0.0,3130.497120631501,3797.1534072686945,4591.129278125491,4194.768219121651,3187.9698741665256,2181.1715292113977,1174.3731842562713,339.2921251691912,0.0,139.21638,133.14804800000002,239.0490040000002,299.8491600000001,236.9642600000002,174.07936000000007,111.19445999999998,48.568895999999995,0.0,22.711958858187984,28.646371720000005,38.412884519943034,37.48454302898003,28.46301416958398,19.441485310187993,10.419956450792004,2.938142672547,0.0,3165.2292466334884,2624.7856814198008,5202.579547898894,7052.408753968682,5573.453598930085,4094.4984438914885,2615.543288852892,1110.3057861611971,0.0,78.0,46.75,67.0,78.75,66.5,54.5,44.0,24.0,0.0,59.67081552631572,58.820536111111096,31.351565848484817,20.743929142857148,20.439039242424247,19.905481916666673,18.731655800000013,8.571528,0.0,164.76300634902637,210.95296707048303,139.1251296401664,99.87543378861074,96.60514770201593,90.8821470504749,78.29154561708475,56.548687528198535,0.0,7.327177894736842,7.397113777777779,7.243909212121218,7.139265714285717,7.180735151515157,7.25330666666667,7.412963999999999,8.094816,0.0,1.1953662556941045,1.5914650955555558,1.1640268036346375,0.8924891197376197,0.8625155808964842,0.8100618879244997,0.6946637633861336,0.48969044542449996,0.0,166.5910129807099,145.8214267455445,157.65392569390588,167.91449414211147,168.89253330091165,170.60410182881202,174.3695525901928,185.05096436019952,0.0,4.105263157894737,2.5972222222222223,2.0303030303030303,1.875,2.015151515151515,2.2708333333333335,2.933333333333333,4.0,0.0,0.13745061991073124,-0.027096258293650498,-0.040096519303062926,-0.004428519337704108,-9.991753910864893E-4,0.002123036943865055,0.015515347581180672,-0.01374322215490734,0.0,605.7336044210524,-45.41908671468103,-239.19931267867025,20.901995069251782,17.705427479224127,14.508859889196515,11.312292299168888,-82.67697755401663,0.0,916.6964703541342,-95.75164028834632,-429.82963697505454,12.347005243494415,11.921036385672302,11.495067527850246,11.069098670028133,20.400834259288608,0.0,1.062550736842105,-0.002447645429362451,-0.06986664819944607,-0.009675523545707367,-0.03514096398892019,-0.060606404432133,-0.0860718448753458,-0.2674663379501374,0.0,4.06328756333242,-0.4614330449923959,-1.8875497674436246,-0.043719050755246944,-0.044708272437784954,-0.0456974941203223,-0.046686715802859866,0.4981505638860239,0.0,22.472433534563987,-2.5626054625959807,-10.204134368008972,-0.4198199183040019,-0.43573525464000595,-0.45165059097600646,-0.4675659273120062,3.305294754554992,0.0,33.736842105263165,1.6835180055401666,-1.8850415512465375,-1.220914127423823,-2.3850415512465375,-3.2991689750692537,-1.9501385041551256,-7.811634349030472,0.0,0.0072342431531963805,-0.0015053476829805833,-0.0012150460394867552,-1.0544093661200258E-4,-3.027804215413604E-5,8.845987266104396E-5,0.0010343565054120448,-0.00229053702581789,0.0,31.88071602216065,-2.5232825952600573,-7.248464020565765,0.4976665492678996,0.5365281054310341,0.6045358287165215,0.7541528199445925,-13.779496259002771,0.0,48.24718265021759,-5.319535571574796,-13.025140514395591,0.2939763153212956,0.3612435268385546,0.47896114699376025,0.7379399113352089,3.400139043214768,0.0,0.05592372299168974,-1.3598030163124728E-4,-0.002117171157558972,-2.3036960823112778E-4,-0.0010648776966339453,-0.002525266851338875,-0.00573812299168972,-0.04457772299168957,0.0,0.2138572401753905,-0.025635169166244216,-0.05719847780132196,-0.001040929779886832,-0.001354796134478332,-0.0019040622550134292,-0.0031124477201906575,0.08302509398100398,0.0,1.182759659713894,-0.14236697014422114,-0.3092161929699689,-0.009995712340571474,-0.013204098625454725,-0.018818774624000268,-0.031171061820800414,0.5508824590924987,0.0,1.7756232686980613,0.09352877808556481,-0.05712247124989508,-0.0290693839862815,-0.07227398640141022,-0.1374653739612189,-0.1300092336103417,-1.3019390581717454,0.0,-0.20808640946986418,-0.16795758917087256,-0.014575254712777316,-0.004185378001948688,0.0122279374341957,0.1429806108956988,-0.31662427945981303,0.0,-0.07914761367047386,-0.22736202083815416,0.015610268882354018,0.01682923636527132,0.018962429460376663,0.02365545426960838,-0.43222041341306405,0.0,-0.11025587981251389,-0.2699668622896647,0.00609312915642277,0.007487349664694368,0.009927235554169715,0.015294984511015398,0.07047331795236822,0.0,-0.0024315316355360307,-0.03785819405967631,-0.004119353932594235,-0.019041609529325973,-0.04515555682360649,-0.10260624087102363,-0.7971165116870673,0.0,-0.11987047595498787,-0.26746103033225266,-0.0048674049054085585,-0.00633504918218913,-0.008903426666555,-0.014553857132159983,0.38822671569553924,0.0,-0.1203684695998672,-0.2614362017087794,-0.008451177936681917,-0.011163805357251326,-0.015910903343247663,-0.026354518912439572,0.46576027054030184,0.0,0.05267377361761137,-0.032170377724199874,-0.016371369140479906,-0.04070344631967096,-0.07741809672386898,-0.0732189287571503,-0.7332293291731669,0.0,0.9369409294624853,0.8224394237055721,0.7039196901578526,0.8307969378598059,1.060058158374492,1.4953411603458744,3.6903538575353427,0.0,1.2123285230342717,1.1985261502767117,0.8498857887121796,0.8636363636363641,0.8876998697536878,0.9406395832117999,1.669521646345782,0.0,1.492302918312626,1.374632920665431,0.8890733347279232,0.8636363636363628,0.8191216642261323,0.7211893255236244,0.4096368675931797,0.0,0.5218837847198281,0.622848032961254,0.6977027503005112,0.8636363636363635,1.1540201869741054,1.7928645983171378,4.776522968760773,0.0,1.5788342835948983,1.4028177679057956,0.8908747355778236,0.8636363636363641,0.8159692127388096,0.7111014807641896,0.02024572382296094,0.0,1.583316226398812,1.3944068579829672,0.88709024137915,0.8636363636363633,0.822592077586487,0.7322946482767592,7.698120534384174E-5,0.0,0.4668486739469578,0.6042759892213869,0.6970971696010696,0.8791306197702451,1.19213143525741,1.796255850234009,4.8018720748829935,0.0,30.66635937252664,15.45817968626331,25.209309386979196,30.844930801098055,4.4064186858711505,15.458180313883785,0.24999999999998224,0.07751690781190645,0.011073843973129494,-1.790081440771754,33.0927102912579,4.727530041608271,2.4495191176649778,30.668203467162503,15.4587345231306,25.21016781057749,30.846250309375858,4.406607187053693,15.458735150296862,0.2492655790986973,0.07748008610659413,0.011068583729513446,-1.7904140303730345,33.10080465134532,4.7286863787636175,2.4496903142571016,32.301871217704175,15.95143836982307,26.001633782512886,32.016875161948434,4.5738393088497755,15.951438714229383,-0.39899447805803234,0.04318377590963063,0.006169110844232947,-2.199603288343263,49.06657445253837,7.00951063607691,2.725224626782611,30.670138872595075,15.459316836407009,25.21106881901951,30.84763515846575,4.406805022637964,15.45931746309701,0.24849480021894088,0.0774414365773568,0.01106306236819383,-1.7907632997393395,33.10931008433931,4.729901440619902,2.449870159984671,34.03475027426316,16.476228004962003,26.91726756295438,33.261682942592344,4.751668991798906,16.476228198019378,-1.0822942643391507,0.003362520425395088,4.8036006077072687E-4,-3.986545121723982,48.17441663554898,6.88205951936414,2.7123796734646204,30.859454076750772,15.516294131314535,25.299600450561126,30.983121352378127,4.426160193196876,15.516294713525147,0.1731341858782951,0.07363812329243585,0.010519731898919407,-1.8260146854849189,33.995674958305315,4.856524994043617,2.468363316591189,34.02470943302996,16.971356800959086,28.098059886400005,34.30362099765581,4.900517285379403,16.971356960593255,0.6507936507936591,0.11822153231461519,0.016888790330659313,-1.4946365154829084,25.76009837768065,3.680014053954378,2.274178704166742,0,11.988698672796822,16.005924698028373,-0.38946195011147433,0.2063358280119385,3.4081833215906685,6.773408125592273,6.0,18.0,17.0,17.0,5.0,1.0,1.0,0.0,0.0,1.0,14.076483999999997,3.4838745189974962,3.17555737169556,2.661510115087328,2.05328425888625,1.5112777332667364,1.1678783998219522,0.49548804402669927,0.08392307051869152,1.874525775061896,1.6003582529280689,1.2227439957969026,0.8667629078558875,0.6305986044378223,0.5183135091482798,0.08392307051869097,0.08392307051869113,3.482979942684925,3.1415262222064633,2.6283452049731206,2.054930444976529,1.5701114491333996,1.277953056151417,0.41246566192044554,0.2709139018929375,1.8208712061933754,1.553797228684993,1.1728469313332084,0.791081154265409,0.5167956872975487,0.37263725849728024,0.270913901892937,0.270913901892937,3.6237781259446193,3.3323744127774564,2.883800510600928,2.388165193074864,1.987541398073178,1.7583412205460303,1.0602336183227452,0.9439184268026227,1.6304354198961821,1.3105512189258524,0.853944362472881,0.3830040251740496,0.027638247938251783,0.1655121381118298,0.9439184268026211,0.9439184268026217,3.4983590304449246,3.1494850536907526,2.637985132897605,2.0818695448381583,1.626641404959101,1.3602419348888157,0.42410311597506567,0.39927724550898236,1.7888838273535572,1.5280308578615496,1.1416834160674203,0.7379598501873189,0.4351528372002323,0.27107143501236963,0.3992772455089817,0.3992772455089818,3.6774365690108923,3.386549841543627,2.9576245064547684,2.502699166784189,2.1512962697739244,1.956841596308409,1.208173580862923,1.2076448229620897,1.5765242764242282,1.2521557862254273,0.7779110056220621,0.27043553767664547,0.13186929173448975,0.3597907944428727,1.207644822962087,1.2076448229620875,4.920670689870956,3.438106705617759,3.0177247908385407,2.425417245720182,1.8770647492167112,1.5261915725080897,1.3047248523384256,0.6000000000000002,1.747446813752401,1.3563419079715118,0.8810411440052371,0.4653614655058363,0.19350692135776384,0.06620235351791731,0.5999999999999992,0.5999999999999995,0,0,1,0,0,1,4,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.535533905932738,3.414213562373095,2.060660171779821,1.2071067811865475,0.6767766952966369,0.35355339059327373,0.17677669529663687,0.0,0.7907905579903911,0.5690355937288492,0.4121320343559642,0.30177669529663687,0.22559223176554563,0.17677669529663687,0.17677669529663687,0.0,4.814025684399679,2.8510573320459263,1.662448582448027,0.9255286660229632,0.4776709006307398,0.20326313239628543,0.05892556509887897,0.0,0.6877179549142399,0.47517622200765436,0.3324897164896054,0.2313821665057408,0.15922363354357993,0.10163156619814272,0.05892556509887897,0.0,9.965765927132102,18.657683903860157,17.70196078431373,17.960000000000004,11.271566467065865,146.324051497006,0.5245139961648475,0.9819833633610608,0.9316821465428279,0.945263157894737,0.5932403403718877,7.701265868263474,1.7655999999999998,30.20599999999998,16.625382301558535,26.723216980603148,33.25076460311708,4.750109229016725,16.625382474771918,3.3306690738754696E-16,4.7580986769649563E-17,-24.9467317967063,2000010.7099194438,285715.8157027777,10.156064165428724,54,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,5.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,4.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.67967970521542,0.9818055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5771527777777778,0.0,0.0,1.4500935374149662,0.4013888888888889,0.0,0.5771527777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.129764739229025,0.0,4.20875,0.0,0.9818055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.67967970521542,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.67967970521542,0.9818055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5771527777777778,0.0,0.0,0.2324546485260771,0.4013888888888889,0.0,0.5771527777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.129764739229025,0.0,0.7438888888888888,0.0,0.9818055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.67967970521542,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.67967970521542,0.9818055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5771527777777778,0.0,0.0,0.4013888888888889,0.4013888888888889,0.0,0.5771527777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.129764739229025,0.0,1.2022222222222223,0.0,0.9818055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.67967970521542,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.0,2.4285714285714284,0.6727536848072562,9.67967970521542,0.2324546485260771,0.7438888888888888,3.2235814229024946,1.0181944444444444,2.6796797052154195,5.618888888888889,1.0181944444444444,2.6796797052154195,5.618888888888889,3.33333,0.47619,0.0,0.02381,0.48772,0.80952,0.42174,0.48772,0.80952,0.06598,0.0,-0.06598,0.0,0.58823,0.12606,0.0,0.25,0.0,0.0,4.75,0.67857,3.25,0.46429,1.5,0.21429,-1.75,-0.25,0.0,0.0,4.93079,0.7044,6.60412,1.67333,0.23905,2.67274,0.38182,3.41421,0.74147,0.10592,-2.1E-4,-3.0E-5,-2.1E-4,-3.0E-5,0.0,6.01,1,1,1,1,0,0,0.8333333333333334,1.1674367232867007,1.9948414446449678,2.970840013101986,3.155565013329719,2.7528553052032336,2.873954066005482,22.181297742447313,37.90198744825439,56.44596024893774,59.955735253264656,52.30425079886144,54.605127254104154,0.27482501045323093,0.46960345682260674,0.6993622192704679,0.7428481308457304,0.6480466760534785,0.6765544037439822,3.0804907901568845,2.253086068798617,1.2770875003415991,1.0923625001138664,1.4950722082403516,1.3739734474381033,0.27482501045323093,0.46960345682260674,0.6993622192704679,0.7428481308457304,0.6480466760534785,0.6765544037439822,10.299818506707174,17.35578217990477,19.933218254757044,16.648175586233286,18.11972752317835,16.077491276113314,25.718464457243332,18.626429306397313,16.57668441539832,20.04952865276309,18.68766477028683,11.963511766782469,7.0,6.0,6.0,7,1,6,2.0100000000000002,0.9697000000000005,0.0,1.9192597481868876,0.0,0.0,5.6762400186093895,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.42300000000000004,0.41500000000000004,0.622,0.171,3.411,5.0,4.0,3.0,2.0,1.0,0.0,0.0,0.0,0.0,28.0,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.0,0.0,0.0,0.0,3.5553480614894135,1.2142857142857142,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.6666666666666666,5.0,0.8333333333333334,0,3.0,6.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.0,0.0,0.0,0.0,0.0,0.08333333333333333,0.04444444444444447,0.03125,0.026666666666666672,0.027777777777777776,0.0,0.0,0.0,0.0,0.0,0.21347222222222223,16.625382301558535,26.723216980603148,33.25076460311708,4.750109229016725,16.625382474771918,3.3306690738754696E-16,4.7580986769649563E-17,-24.9467317967063,2000010.7099194438,285715.8157027777,10.156064165428724,17.07,118.4861344557612,3.807354922057604,3.1354942159291497,3.713572066704308,4.31748811353631,4.919980925828125,5.53338948872752,6.142037405587356,6.7580945044277305,7.368339686311381,7.98514393119862,62.8735403382505,2.5649493574615367,0.0,3.4965075614664802,0.0,4.574710978503383,0.0,5.720311776607412,0.0,6.900730664045173,7.275172319452771,100.088815004,5.267832368631579,12.83378877709787,1.8333983967282672,2.401269388548936,2.401269388548936,0.0,56.0,4.0,2.294,22.0,1.2313888888888886,2.1337826812828204,2.86200238358778,3.585544503125692,4.930537131398817,5.906045024625101,7.240864958824075,0.0,0.0,0.0,82.79933054227776,74.50034559047997,72.02635759210105,95.05466416212286,116.16465021391417,131.34715236718773,65.4808367154204,0.0,0.0,0.0,284.292858719383,316.849023255465,313.83450448474713,407.72117894288,489.6604279505753,505.1349203764507,420.9732166048787,0.0,0.0,0.0,9.138860387777775,15.512634681217502,20.514728124653065,26.067935091802376,36.02231808017323,44.28255709661462,59.23566993337945,0.0,0.0,0.0,2.09382496802,2.6021551112573653,2.7030164627225446,3.46345393454866,4.218856215589789,4.310074338127047,3.5661603602152994,0.0,0.0,0.0,177.4504104788279,333.0583105248359,477.327525974286,592.858088629195,833.971623594137,1021.20838200739,1339.9893092584098,0.0,0.0,0.0,3.252680555555555,4.457454575589819,5.5899867442577325,7.984075297291099,11.921167508859234,18.987031968536858,30.319654495203753,0.0,0.0,0.0,0.4478245833333334,0.5710122997583559,0.6088221504912065,0.7929677066870964,1.0002515388500945,1.1153368088716868,1.1353425798711314,0.0,0.0,0.0,291.69475076578635,152.86667881815103,11.894383927434745,88.5611205680763,-46.41168323432025,-18.17524742765374,203.13363019771003,199.27836205247127,30.069631355088486,0.7671012409159618,0.40201004203281554,0.03127994811943755,0.23289875908403818,-0.12205382410406238,-0.047797414314468184,110.918641615958,58.12845215190975,4.522909324306191,33.67588606791712,-17.648315048337675,-6.91124454731102,0.2283777580989872,0.5778712638649948,6.19103270838514,30.31401045537669,327.7978026411463,52.45806869271631,0.8620453419727516,0.13795465802724818,443.1383103154153,21.05085058413116,7.623945196757217,559.382743296867,23.651273608346486,8.239541044602172,647.3986509418701,25.444029770102652,8.650819755656993,2.561966517717073,2.561966517717073,657.4444946960344,638.5427365937944,35.58953894335025,1.0296013986519814,18.472970266417995,17.941865940162828,3.932381962523296,4.466158665423346,7.96023027927319,0.782343816152497,3.360021677324914,4.786261717870948,2.642514927590507,17.4318856571095,7.934864212199208,0.42065376998470105,2.944371823853363,6.122961232379963,7.418597014545748,0.47054243866602063,1.8718447872392736,1.1951850005420144,1.7223505121079392,0.05040968608862951,1.707421114346097,4.4442816534477985E-13,2.2311995089531453E-47,2.1604844354788628E-103,4.034965102918025E-181,1.4534641655647868E-280,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.29847710073074546,4.786098020489218,0.225307665766823,4.278271235211127,0.057772500541542246,0.46527573416628193,0.38171880122324325,0.1803007006042409,2.1693886886537035,0.021849036301188465,0.7106740820469707,0.0249480813149419,0.04727775538003663,0.06713677287951922,0.19086912574534448,4.968171862420277E-14,2.4942124474103513E-48,2.4151615083207098E-104,4.5106052346195054E-182,1.6247979613967906E-281,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9161425420277101,4.785991513602229,0.5795043052865304,5.13809447699999,0.5869264812292782,0.2548612716374537,0.8905244699614283,0.8018079452490459,2.8382225957340377,0.08215506862680627,0.4830771562713748,0.12743632181272643,0.20451246715832605,0.03602836122711684,0.33064041603937083,8.606307621157023E-14,4.320695859437345E-48,4.1837568165888214E-104,7.813670155087058E-182,2.814619031958656E-281,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1766972162981135,4.786302215022852,2.7830516014787148,16.122543554001346,7.0717001484886275,0.528207512979543,2.8320171525269604,5.54989960570636,7.611029681326232,0.43200726567429637,1.9043659984937154,1.075615253489548,1.5826557511005408,0.06707765775457306,2.1445842991008965,5.58218272849257E-13,2.802469405384558E-47,2.7136486481568997E-103,5.068065947194318E-181,1.8256049445480803E-280,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3426501195712257,4.785965098660208,0.7783458848478687,6.276776218076011,1.2702974082556249,0.17925798661477227,1.2314742101708185,1.4040868072933992,3.2659371339894623,0.13284150001491646,0.4771300115812736,0.23820512478888897,0.3601424216824639,0.024206267193396237,0.3273958014173108,8.521852877589836E-14,4.278296345394466E-48,4.142701102030831E-104,7.736993659391714E-182,2.786998833024675E-281,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.057735794344236,4.786408350524991,3.515639436321231,23.35705702182299,11.566780713057689,0.5263719236270601,3.5624599783156827,8.482354841601776,9.387884334489991,0.6257860029561751,2.5895786370079272,1.6939416582002296,2.425363277840116,0.06096691045133162,2.49370361446911,6.490912599008098E-13,3.258686584890352E-47,3.155406595648915E-103,5.893102162589175E-181,2.1227972482689726E-280,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0746877666353054,4.40151704840227,3.361605025354372,9.607712813408998,2.8649601314806024,1.3445141292185117,2.115499453737614,2.5254404090990716,8.80522472171501,0.21279150309077752,2.5032223883537217,0.5034639691492842,0.9207053922483708,0.2540433617792862,4.302701208152164,1.1199589766688452E-12,5.622622762561926E-47,5.444420777406734E-103,1.0168112059353424E-180,3.6627296972232626E-280,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.466905128982587,0.7817731128025945,0.4357424289473684,0.8178577319227076,0.11695450530598032,0.5180856137362231,0.5883284164058398,0.5263026974482006,6.68442067073255,6.996693674867233,15.543424953848978,0.7267865978840614,1.6327167275902634,6.8662008932071235,0.27232956667426267,0.08331924600593046,0.9507537781643026,0.03770911577573501,0.8206021809216368,0.06897737282037715,0.01924272433425626,7.221849705887316,2.4646464894532163,9.842292313371951,0.9261306672464539,0.9088222780762703,5.651086984743019,0.48478200599922483,0.225062977364929,0.8884055061548815,0.07621241799627072,0.5543593991094954,0.22362095796470616,0.14040546615434812,6.360931968107173,4.120502228317423,11.098004414789182,0.8326082592323223,0.9183858232285497,5.729686288090299,0.7561560233491348,0.41885160519967224,0.829824805743055,0.10951332998656622,0.5693363615900915,0.5484557022013339,0.4862910362353595,6.904693916639106,7.049142261858785,15.768526171195083,0.7447372086145824,1.6040831000267848,5.259370040300034,0.5838751773857188,0.2932741166462712,0.8570607788808556,0.09514761472665924,0.4796921419796722,0.32708317305334295,0.23840939557609928,6.136519334332024,4.784488194781656,11.821598266050115,0.7855911683212834,1.0451847106091143,5.522678336905816,0.816315654396039,0.4607235876085337,0.8121923113446117,0.12005140580071685,0.5286901317562918,0.6416665703331624,0.5883784944955729,6.799717578910389,7.428772834111629,16.3055469650565,0.7182884670169176,1.758735196585027,5.795779570381572,0.7546100303786951,0.4183590873670214,0.8316815298930045,0.10828486779331419,0.5825530590071493,0.5461683538361716,0.4851480720500439,6.968748688127289,7.113968412946352,15.912432909075411,0.7475222948395068,1.6138694848933648 +UMLCN0062,L,pentanal,CCCCC=O,Aldehydes,,C5H10O,NREL (2014),IQT,PubChem,,65.1,0,-0.6822999999999994,0.4655332899999991,22.564999999999998,16.269930000000002,0,0,16,6,10,0,5,0,1,0,0,0.0,0.0,0.0,0.0,0.0,987.4492460000001,890.291353,840.8931359999998,674.4882950000001,477.73156600000016,280.9748370000002,51.429168000000004,0.0,0.0,2644.81273002031,3144.163272778327,3677.5821664631594,3187.9698741665256,2181.1715292113977,1174.3731842562713,339.2921251691912,0.0,0.0,118.23893599999997,111.372268,196.3194960000001,236.9642600000002,174.07936000000007,111.19445999999998,48.568895999999995,0.0,0.0,19.033833048489992,23.630383100000003,30.725194375094006,28.46301416958398,19.441485310187993,10.419956450792004,2.938142672547,0.0,0.0,2668.5995864949905,2191.7462299040003,4278.377348933045,5573.453598930085,4094.4984438914885,2615.543288852892,1110.3057861611971,0.0,0.0,73.75,41.5,57.75,66.5,54.5,44.0,24.0,0.0,0.0,61.71557787500001,59.35275686666667,31.144190222222214,20.439039242424247,19.905481916666673,18.731655800000013,8.571528,0.0,0.0,165.30079562626938,209.61088485188847,136.20674690604295,96.60514770201593,90.8821470504749,78.29154561708475,56.548687528198535,0.0,0.0,7.389933499999998,7.424817866666667,7.271092444444448,7.180735151515157,7.25330666666667,7.412963999999999,8.094816,0.0,0.0,1.1896145655306245,1.5753588733333335,1.1379701620405187,0.8625155808964842,0.8100618879244997,0.6946637633861336,0.48969044542449996,0.0,0.0,166.7874741559369,146.11641532693335,158.45842033085353,168.89253330091165,170.60410182881202,174.3695525901928,185.05096436019952,0.0,0.0,4.609375,2.7666666666666666,2.138888888888889,2.015151515151515,2.2708333333333335,2.933333333333333,4.0,0.0,0.0,0.13319095929251598,-0.027132793400962384,-0.038197529252797555,-0.004917236028606279,0.0018871999137805603,0.015508204696299772,-0.013743325573972103,0.0,0.0,523.7576237500001,-43.92541314062466,-193.42479657812476,23.634892890624904,19.127233124999883,14.619573359374918,-81.91030153125001,0.0,0.0,766.4429153884305,-94.95499334786483,-351.8240056059167,14.50399434581729,13.903311698653994,13.302629051490754,21.847606163604,0.0,0.0,1.0366599999999992,-0.0015602499999995542,-0.06008425000000038,-0.020939750000001478,-0.05685000000000054,-0.09276024999999961,-0.2861354999999984,0.0,0.0,3.391946473183749,-0.46410752345664164,-1.5621606522148292,-0.052283466755609395,-0.053678423893874824,-0.05507338103214003,0.49133021076121897,0.0,0.0,18.82152525496499,-2.5879116682515333,-8.477635045105032,-0.5044422348294466,-0.5268853458345113,-0.5493284568395751,3.2354401233776127,0.0,0.0,33.109375,1.5068359375,-1.9658203125,-1.8818359375,-3.2734375,-2.3681640625,-8.572265625,0.0,0.0,0.008324434955782249,-0.0018088528933974922,-0.0014147233056591687,-1.4900715238200845E-4,7.863332974085668E-5,0.0010338803130866515,-0.0022905542623286837,0.0,0.0,32.73485148437501,-2.928360876041644,-7.163881354745361,0.716208875473482,0.7969680468749951,0.9746382239583279,-13.651716921875002,0.0,0.0,47.902682211776906,-6.330332889857655,-13.030518726145063,0.4395149801762815,0.5793046541105831,0.8868419367660503,3.6412676939339996,0.0,0.0,0.06479124999999995,-1.0401666666663695E-4,-0.002225342592592607,-6.345378787879236E-4,-0.0023687500000000223,-0.006184016666666641,-0.04768924999999973,0.0,0.0,0.2119966545739843,-0.030940501563776108,-0.05785780193388256,-0.001584347477442709,-0.002236600995578118,-0.0036715587354760023,0.08188836846020316,0.0,0.0,1.1763453284353118,-0.17252744455010222,-0.3139864831520382,-0.015286128328165048,-0.02195355607643797,-0.03662189712263834,0.5392400205629354,0.0,0.0,2.0693359375,0.10045572916666666,-0.07280815972222222,-0.057025331439393936,-0.13639322916666666,-0.15787760416666666,-1.4287109375,0.0,0.0,-0.21729437529463091,-0.16994826834180324,-0.01789997197089111,0.009446086149815737,0.12419825712837197,-0.2751603291389331,0.0,0.0,-0.0894569776019729,-0.218845695944728,0.021879093473674158,0.024346163514913265,0.029773717605639422,-0.4170392197560828,0.0,0.0,-0.1321498629632338,-0.27202064946044924,0.009175164309864604,0.012093365702352272,0.018513408765825218,0.07601385821854442,0.0,0.0,-0.0016054122534545487,-0.03434634449239069,-0.009793573650576646,-0.03655972064129067,-0.09544524402086155,-0.7360446047884516,0.0,0.0,-0.14594806519919984,-0.2729184668038753,-0.0074734550911971604,-0.010550171181109702,-0.017318946578917225,0.3862719844554202,0.0,0.0,-0.14666394329935883,-0.2669169295462583,-0.012994592624002285,-0.01866250967786728,-0.031131927196370215,0.45840282400763466,0.0,0.0,0.048544911121598235,-0.03518431125793089,-0.02755730976589872,-0.06591159351895548,-0.07629384929998427,-0.6904200094384143,0.0,0.0,0.9191828319171114,0.8121163512179606,0.7287068584489069,0.9127320068673026,1.286021376380852,3.1736501498360683,0.0,0.0,1.1709273320148021,1.1549502364430053,0.832340418119698,0.8555319250854149,0.906553240409992,1.6090225049444922,0.0,0.0,1.4911239722242553,1.3481958433658392,0.8607864442343004,0.8164186391778371,0.7188094680536169,0.40828510415904357,0.0,0.0,0.5120405919009128,0.6248068047597309,0.737671507972282,0.9857016765381131,1.531368047382942,4.07984778037158,0.0,0.0,1.5946104889939967,1.3819083938840597,0.8621408885597442,0.8145562782303527,0.7098701355056912,0.020210666272514725,0.0,0.0,1.5999795747452021,1.3729843188097195,0.8593003009825594,0.8184620861489801,0.7286180135151058,7.659470548858924E-5,0.0,0.0,0.4681453515809344,0.6187404960411095,0.7464927710326483,1.0122699386503067,1.5252477583765927,4.077394997640396,0.0,0.0,21.763548314172493,11.006774157086248,18.085795265862874,21.93021498083916,3.6550358301398607,11.006822540431486,0.25000000000000355,0.09208989478739815,0.015348315797899692,-1.4309940370482546,18.81556296956699,3.1359271615944984,1.760810606948466,21.765293800651655,11.007279689875167,18.086628493001474,21.931470853384106,3.655245142230684,11.007328039710664,0.2492655790986813,0.09204867831905938,0.015341446386509897,-1.4312626378199351,18.815280148071214,3.1358800246785354,1.7608015881286145,23.309381251855235,11.455193386898603,18.86597604345526,23.04338493314988,3.8405641555249805,11.45522082074447,-0.3989944780580288,0.05343701781971538,0.00890616963661923,-1.757550933349594,18.944228250678155,3.157371375113026,1.7648995844007431,21.767125708831387,11.007810254525168,18.087503082196708,21.932788908977354,3.6554648181628924,11.007858569224302,0.24849480021894976,0.09200541499298376,0.01533423583216396,-1.4315447070274854,18.814984248778853,3.135830708129809,1.7607921521292527,24.942985402975047,11.930345569317943,19.79488421246304,24.221455893415605,4.036909315569268,11.9303616238514,-1.0822942643391613,0.008911013979750027,0.0014851689966250043,-2.8322803449200076,20.22042785513471,3.370071309189118,1.8040160240191363,21.946285263153285,11.059709724515796,18.17357524740497,22.061708053738826,3.6769513422898044,11.059754757310316,0.17313418587830753,0.08774384413144098,0.01462397402190683,-1.4600001428671225,18.790677424129562,3.1317795706882605,1.7600165190904078,24.208896373538522,12.083672053563497,20.153936797964246,24.42794399258614,4.071323998764357,12.083691362784112,0.6571428571428601,0.13444475665284844,0.022407459442141408,-1.203961137311398,18.666220957035915,3.1110368261726524,1.7560293146881951,0,11.988740104742897,16.005924421745963,-0.38946111677292194,0.20632890308373883,3.3682314803784905,6.459008839485138,5.0,15.0,14.0,14.0,4.0,1.0,1.0,0.0,0.0,1.0,11.890069999999998,3.460099744389598,3.060566894381798,2.4148064263017974,1.720022973185668,1.2239921482621412,0.4954883471410862,0.08392307051869141,0.08392307051869129,1.8457164899178329,1.4971050883209516,1.0505233943774201,0.6997897550514978,0.5301974799599238,0.08392307051869105,0.0839230705186911,0.08392307051869116,3.4490381638692673,3.012263518194526,2.380293456620373,1.7450199167446807,1.3218392357473308,0.41246566194985573,0.27091390189293746,0.2709139018929373,1.7944380343001423,1.4564371688648947,1.0005676157502823,0.607895890188134,0.3922126301410399,0.27091390189293685,0.270913901892937,0.27091390189293707,3.5975360151147364,3.225826028391254,2.6747833124974747,2.1335004007903375,1.7930403435402578,1.0602336183301524,0.9439184268026222,0.943918426802622,1.5970821181622088,1.190135295046813,0.6401438006526985,0.14640526074759422,0.13910167218690167,0.9439184268026212,0.9439184268026213,0.9439184268026217,3.462193150548796,3.0162887759389307,2.391233259666827,1.7857061170045188,1.398725786700783,0.4241031159750664,0.3992772455089824,0.39927724550898214,1.7646650819427414,1.4342784014657788,0.9668396877845774,0.541038093002246,0.2948031931365831,0.3992772455089814,0.3992772455089816,0.399277245508982,3.6493489375103714,3.280059711445754,2.7596062178468763,2.2745741169024116,1.9850551663702565,1.2081735808629235,1.207644822962089,1.2076448229620886,1.5436449042924392,1.1304958827560476,0.5537963017028444,0.00827229031211169,0.3270018361304929,1.2076448229620875,1.2076448229620877,1.207644822962088,4.851095529587461,3.3735173678170423,2.813402949156743,2.106886083096446,1.5844334278903522,1.2870312498578977,0.5882352941176472,0.5882352941176472,1.7110909623362167,1.2153509313428474,0.673022042523377,0.2733859331098458,0.08469320868190734,0.5882352941176466,0.5882352941176466,0.5882352941176469,0,0,1,0,0,1,3,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.82842712474619,2.914213562373095,1.7071067811865475,0.9571067811865475,0.5,0.25,0.0,0.0,0.8047378541243649,0.5828427124746189,0.42677669529663687,0.31903559372884915,0.25,0.25,0.0,0.0,4.106918903213131,2.3510573320459263,1.3088951918547533,0.6755286660229632,0.2874574785652649,0.08333333333333333,0.0,0.0,0.6844864838688552,0.47021146640918526,0.32722379796368833,0.22517622200765441,0.14372873928263244,0.08333333333333333,0.0,0.0,8.423938123346227,15.769847050254914,14.9764705882353,15.200000000000006,9.473011976047902,123.29579640718565,0.5264961327091392,0.9856154406409321,0.9360294117647062,0.9500000000000004,0.5920632485029939,7.705987275449103,1.3755,25.588999999999988,12.109311503912984,19.57341311905074,24.21862300782597,4.036437167970995,12.109325540282487,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,18.981177982793387,3.1635296637988977,1.7660687134087372,38,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,4.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,3.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.56375,0.9618055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5840972222222223,0.0,0.0,1.2176388888888892,0.4013888888888889,0.0,0.5840972222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0729166666666665,0.0,2.9015277777777775,0.0,0.9618055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.56375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.56375,0.9618055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5840972222222223,0.0,0.0,0.24472222222222223,0.4013888888888889,0.0,0.5840972222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0729166666666665,0.0,0.7326388888888888,0.0,0.9618055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.56375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.56375,0.9618055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5840972222222223,0.0,0.0,0.4013888888888889,0.4013888888888889,0.0,0.5840972222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0729166666666665,0.0,1.12375,0.0,0.9618055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.56375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.5,2.5833333333333335,0.6982638888888889,9.56375,0.24472222222222223,0.7326388888888888,2.563341944444444,1.0381944444444444,2.56375,5.273333333333333,1.0381944444444444,2.56375,5.273333333333333,2.83333,0.47222,0.0,0.02778,0.49792,0.82778,0.42,0.49792,0.82778,0.07792,0.0,-0.07792,0.0,0.57047,0.14382,0.0,0.29412,0.0,0.0,4.25,0.70833,2.75,0.45833,1.5,0.25,-1.25,-0.20833,0.0,0.0,3.74169,0.62361,5.31294,1.57126,0.26188,2.17274,0.36212,2.91421,0.74147,0.12358,-2.1E-4,-4.0E-5,-2.1E-4,-4.0E-5,0.0,5.01,1,1,1,1,0,0,0.8,1.198192411043098,2.091917186688699,2.952819531114783,3.0306390622295662,2.7743974703476995,2.202819531114783,19.171078576689567,33.47067498701919,47.24511249783653,48.49022499567306,44.39035952556319,35.24511249783653,0.2995481027607745,0.5229792966721748,0.7382048827786958,0.7576597655573916,0.6935993675869249,0.5507048827786958,2.801807588956902,1.9080828133113008,1.0471804688852169,0.9693609377704338,1.2256025296523005,1.7971804688852169,0.2995481027607745,0.5229792966721748,0.7382048827786958,0.7576597655573916,0.6935993675869249,0.5507048827786958,10.71860944884017,18.221255741615884,19.08889467443598,17.274685305813378,17.53505458433389,11.46291654543598,21.96987351738496,15.452254680198294,15.358458593344348,17.00921015341045,12.371987351738497,8.108458593344348,6.0,5.0,5.333333333333333,6,1,5,1.8999999999999997,0.8288000000000006,0.0,1.8072040072196898,0.0,0.0,3.965406456500188,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.42300000000000004,0.41500000000000004,0.622,0.171,2.912,4.0,3.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,21.0,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.0,0.0,0.0,0.0,0.0,3.295836866004329,1.2380952380952381,0.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.6,4.0,0.8,0,3.0,5.0,0.6666666666666666,0.5,0.22222222222222232,0.125,0.08000000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.05555555555555558,0.041666666666666664,0.04000000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.23722222222222225,12.109311503912984,19.57341311905074,24.21862300782597,4.036437167970995,12.109325540282487,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,18.981177982793387,3.1635296637988977,1.7660687134087372,17.07,101.19014982989454,3.584962500721156,2.9444389791664403,3.4965075614664802,4.07753744390572,4.653960350157523,5.241747015059643,5.82600010738045,6.415096959171596,7.002155954403621,7.591357046698551,58.24880141741002,2.3978952727983707,0.0,3.295836866004329,0.0,4.343805421853684,0.0,5.459585514144159,0.0,6.608000625296087,6.996681488176539,86.07316494,5.37957280875,10.839150429449553,1.8065250715749255,2.3883252147247767,2.3883252147247767,0.0,35.0,3.0,1.725,18.0,1.2277333333333331,2.1277484957889947,2.8577036423612667,3.5705448890373623,4.911811734455921,5.855708458667224,0.0,0.0,0.0,0.0,82.91488770599999,73.81537778383291,70.57193571746535,91.99543292831531,108.06663407035846,54.75223857360486,0.0,0.0,0.0,0.0,281.12343383625927,309.35117035519903,301.8228520466583,379.43844119943054,413.46097505162066,346.501216615896,0.0,0.0,0.0,0.0,9.144762151999998,15.529859642523865,20.60939241406919,26.2639795054596,36.748038053768006,48.23153773963486,0.0,0.0,0.0,0.0,2.0641736726866666,2.5363875860551786,2.5980469320637396,3.2114272032622764,3.538403490518644,2.894689656388618,0.0,0.0,0.0,0.0,177.3432528723278,333.8254198161148,479.6277380678041,597.7029371997261,851.3941487180879,1083.6849538776744,0.0,0.0,0.0,0.0,3.452166666666666,4.692261505761264,6.019368462234763,9.066034938277799,15.603043280568022,25.23339221743741,0.0,0.0,0.0,0.0,0.4446610000000001,0.5622104120247013,0.5956132799173387,0.7610323162816992,0.916374085705342,0.930337015650535,0.0,0.0,0.0,0.0,261.3211784924107,123.03185186422611,11.085112236130763,87.80635293305136,-41.33984956412888,-18.131469771884042,173.51482555935934,164.37170142835498,29.216582008014804,0.7484977693550994,0.35239802304302986,0.03175089684526186,0.2515022306449006,-0.11840902204229302,-0.05193365787526003,91.2344179562479,42.95380672806039,3.870117870574517,30.6556152429891,-14.432879627824281,-6.3301952825732615,0.2542110873313592,0.6432389936075545,6.89134165079439,33.7430753124988,296.6694627327457,52.45806869271631,0.8497452536082334,0.15025474639176656,381.05674116926536,19.52067471091267,7.249864388548713,477.92710198714184,21.86154390675878,7.818448016670362,539.1464997486654,23.21952841357174,8.138960298343028,2.263297838606558,2.263297838606558,417.17910771367366,400.67997109755765,29.857684371717653,1.041177842183928,13.972252587305189,13.4196599478122,3.5322280102374775,3.602632436614301,6.724527781545163,0.8665594949966008,2.802220570452795,3.837744410160987,2.3461824211303037,12.459007892995828,5.960014563516504,0.42063812941734646,2.150115830744839,6.970259092287126,3.628928505046832,0.8966126818882705,1.122255469032059,0.01293105498312972,0.0010124854459239157,1.5290451244090967E-26,4.45376933015786E-71,2.5021367585670682E-137,2.71125440601071E-225,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2516647191021028,3.8376228181325915,0.2031907336589169,3.264878635985584,0.043706156407309675,0.46526022159140196,0.25916013612936983,0.1866136992015701,1.057446896604124,0.05234646564382307,0.7616768757973817,0.001445564526326615,1.1318368401892125E-4,1.7092883745491033E-27,4.978777942805417E-72,2.797087675619432E-138,3.0308560307728543E-226,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7650264676838222,3.8375134189371027,0.506294648513657,3.8568895229093223,0.4415795135193369,0.2548457505098743,0.6308654388871133,0.8648822409917839,1.2906404940094331,0.18407024873581557,0.4890461731683682,0.0025040981185158375,1.9606680874524623E-4,2.9609808138703658E-27,8.624680413599987E-72,4.845363173084913E-138,5.250317436394584E-226,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6501784730305475,3.837789502254387,2.5052329423382984,11.583239307668814,5.312036344008579,0.5281918864646451,2.0788845988830307,6.305064580222007,4.024536862910132,0.8305612114709807,1.4485020360991208,0.016241886787327558,0.0012717193035463783,1.9205374344221876E-26,5.5940996026230255E-71,3.1427766480920065E-137,3.405436175729572E-225,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1199328300766715,3.8374833253875016,0.6686135468838129,4.651269646798868,0.9549714920518685,0.17924245439815828,0.877697885015438,1.5402426301448635,1.3863609967348616,0.2865521334149347,0.36560751869048724,0.0024795198311246304,1.9414278130124577E-4,2.9319243489668766E-27,8.540045375585673E-72,4.797815034872098E-138,5.198795432736827E-226,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.3841101753878733,3.837871739342745,3.1487980999845813,16.561784920067936,8.687161222975742,0.5263562239710184,2.6159394348659144,9.716932506210696,4.801385465668237,1.1574831918082347,1.5081307481273576,0.018885914173591846,0.0014787439342782123,2.2331839060603515E-26,6.504769434621764E-71,3.654392830396934E-137,3.959811001050868E-225,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.704608966670516,3.492153998535982,3.0834575487309097,7.0841581966202085,2.07001723456099,1.292292885778645,1.5874788997696219,2.722217682551736,6.143726096403278,0.5174250033378526,3.981141285847971,0.031320950498473804,0.0024523868932413186,3.703569505489162E-26,1.0787676578237033E-70,6.060538861581135E-137,6.567052194489609E-225,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.9372375626750182,0.7892903029452367,0.414213384375,0.7658890753699483,0.1535362829136684,0.5104597408486925,0.5388628056389797,0.49998544311168047,5.140741249995255,5.065414532172441,11.493374999895753,0.6488336130549225,1.5493079895993525,5.128199919930953,0.26966554857779546,0.07755861173520333,0.9365849740176603,0.049250166676729955,0.8659941292469052,0.06288418638667914,0.017529485024715116,5.475424080243952,1.8015497966957186,7.384229591498986,0.9048774610264904,0.9464078006582994,4.091755144999298,0.48860333494495944,0.21313767985320345,0.8536055957062009,0.10193047384554582,0.5512856020178224,0.20668611024139022,0.13238219321291375,4.793496159797461,2.9754921889361174,8.195102834170651,0.7804083935593012,0.8903539054721265,4.1672319580237875,0.7593179882835287,0.3966898549048588,0.7828375413549565,0.14264207825291308,0.571852298598662,0.49851874675596836,0.45857596827827823,5.323239801212176,5.118566570459643,11.697033906025665,0.674256312032435,1.5289470136329086,3.7497861068612544,0.5926439484540065,0.2793383639068536,0.811331457297979,0.1282288281665471,0.4629799684478353,0.30420724069515304,0.22738943073022144,4.621768419222114,3.4352953512599433,8.677834076886533,0.7169971859469684,0.9945766398732098,3.98707122375432,0.8232162480817342,0.4376919453240703,0.7597345391098869,0.15686346737373577,0.5234723153288304,0.5860130219568265,0.5582724714280334,5.247979417160125,5.387645894769607,12.07222736253291,0.6396018086648304,1.6677578087136904,4.2152999363249695,0.7573419935476402,0.3959872280453912,0.7851724923313008,0.14106804014031465,0.5851207899086692,0.49592669030632147,0.45695292479863286,5.368629157918001,5.161526351050132,11.794314503720418,0.6777587384969513,1.5380004050136236 +UMLCN0063,L,butanal,CCCC=O,Aldehydes,,C4H8O,Marquardt (2015),IQT,PubChem,,41.1,0,-0.39429999999999976,0.15547248999999982,19.653400000000005,13.176344000000002,0,0,13,5,8,0,4,0,1,0,0,0.0,0.0,0.0,0.0,0.0,841.1529970000001,721.813056,647.1845989999998,477.73156600000016,280.9748370000002,51.429168000000004,0.0,0.0,0.0,2159.1283394091183,2491.17313828796,2764.035054800824,2181.1715292113977,1174.3731842562713,339.2921251691912,0.0,0.0,0.0,97.26149199999998,89.59648800000001,153.58998800000006,174.07936000000007,111.19445999999998,48.568895999999995,0.0,0.0,0.0,15.355707238792004,18.61439448,23.037504230244995,19.441485310187993,10.419956450792004,2.938142672547,0.0,0.0,0.0,2171.969926356492,1758.7067783882003,3354.1751499671955,4094.4984438914885,2615.543288852892,1110.3057861611971,0.0,0.0,0.0,69.5,36.25,48.5,54.5,44.0,24.0,0.0,0.0,0.0,64.70407669230771,60.151087999999994,30.81831423809523,19.905481916666673,18.731655800000013,8.571528,0.0,0.0,0.0,166.08679533916296,207.59776152399664,131.62071689527733,90.8821470504749,78.29154561708475,56.548687528198535,0.0,0.0,0.0,7.481653230769229,7.466374000000001,7.313808952380955,7.25330666666667,7.412963999999999,8.094816,0.0,0.0,0.0,1.1812082491378464,1.55119954,1.0970240109640474,0.8100618879244997,0.6946637633861336,0.48969044542449996,0.0,0.0,0.0,167.07460971973018,146.55889819901668,159.72262618891406,170.60410182881202,174.3695525901928,185.05096436019952,0.0,0.0,0.0,5.346153846153846,3.0208333333333335,2.3095238095238093,2.2708333333333335,2.933333333333333,4.0,0.0,0.0,0.0,0.12886587985408893,-0.027363390786397254,-0.036560125310192315,-0.002031238919018196,0.015272333024454462,-0.013750517935891172,0.0,0.0,0.0,441.19765476923067,-41.787273940828186,-145.37373147337271,26.95529550295841,20.127124497041326,-80.5202419704142,0.0,0.0,0.0,616.1115391890872,-93.79664945282602,-272.48069306999594,17.56672314885776,16.65681334013695,23.99803643928376,0.0,0.0,0.0,1.006116923076923,-6.21159763313439E-4,-0.05122487573964536,-0.042770934911243355,-0.09716752662721881,-0.31127396449704026,0.0,0.0,0.0,2.720424659843078,-0.4680302783806873,-1.241495959623356,-0.06500921690075696,-0.06712228806878069,0.48144541305204175,0.0,0.0,0.0,15.167709365843058,-2.625121323403731,-6.7964716827464065,-0.6314759392007699,-0.6654726043918741,3.1346868668212555,0.0,0.0,0.0,32.26923076923076,1.2322485207100593,-2.2041420118343193,-2.8431952662721907,-2.733727810650887,-9.58579881656805,0.0,0.0,0.0,0.009912759988776072,-0.0022802825655331045,-0.001740958348104396,-8.46349549590915E-5,0.0010181555349636309,-0.0022917529893151955,0.0,0.0,0.0,33.938281136094666,-3.482272828402349,-6.922558641589177,1.123137312623267,1.341808299802755,-13.420040328402367,0.0,0.0,0.0,47.39319532223748,-7.816387454402168,-12.975271098571236,0.7319467978690734,1.1104542226757965,3.9996727398806264,0.0,0.0,0.0,0.0773936094674556,-5.1763313609453245E-5,-0.0024392797971259698,-0.0017821222879684732,-0.006477835108481254,-0.051878994082840045,0.0,0.0,0.0,0.20926343537254447,-0.03900252319839061,-0.059118855220159805,-0.0027087173708648733,-0.0044748192045853796,0.08024090217534029,0.0,0.0,0.0,1.1667468742956197,-0.21876011028364425,-0.3236415087022098,-0.02631149746669875,-0.044364840292791606,0.5224478111368759,0.0,0.0,0.0,2.4822485207100584,0.10268737672583828,-0.10495914342068187,-0.11846646942800794,-0.18224852071005912,-1.597633136094675,0.0,0.0,0.0,-0.2300350828744973,-0.17562801379995402,-0.008537980850431282,0.10271160969462174,-0.23119222011932908,0.0,0.0,0.0,-0.10260604579348652,-0.2039749336104936,0.03309352374445291,0.03953671944734084,-0.39542486770579666,0.0,0.0,0.0,-0.16492636551000014,-0.273779199953692,0.015444132704967346,0.02343066794980919,0.08439339683019705,0.0,0.0,0.0,-6.688318837386693E-4,-0.03151784512843659,-0.023026736964863546,-0.08369987073939504,-0.6703265869083858,0.0,0.0,0.0,-0.18638001965778572,-0.2825092454155335,-0.012944054779769038,-0.02138366502785837,0.38344444662532745,0.0,0.0,0.0,-0.18749577573602894,-0.27738793720582827,-0.02255116173555926,-0.03802439181127032,0.44778162482953676,0.0,0.0,0.0,0.041368692888359176,-0.04228389806458937,-0.04772546682558605,-0.0734207389749702,-0.6436233611442197,0.0,0.0,0.0,0.9012118146623398,0.8083473088440731,0.7705552928844418,1.0647470663594798,2.624271952284601,0.0,0.0,0.0,1.1156362747609225,1.0966424909849728,0.8125000000000002,0.8609550225254076,1.528091175717234,0.0,0.0,0.0,1.4895581930600008,1.3074742462045266,0.8124999999999998,0.7153593325376617,0.4063254208199956,0.0,0.0,0.0,0.504012991302433,0.6352286409811456,0.8124999999999999,1.262285099147369,3.3629610260927003,0.0,0.0,0.0,1.6182801179467121,1.3494527990113927,0.8124999999999998,0.7080781285627342,0.020159646159862245,0.0,0.0,0.0,1.6249746544161865,1.3404853323956938,0.8125000000000003,0.7233103964125037,7.603675144232743E-5,0.0,0.0,0.0,0.4725864123957093,0.6441341733356037,0.8308998808104889,1.25196662693683,3.3468414779499414,0.0,0.0,0.0,14.286286999889334,7.26814349994467,12.073597226996284,14.436286999889338,2.8872573999778677,7.269948304474963,0.25000000000000444,0.11073396067236208,0.022146792134472414,-1.100312352586888,15.17685189985364,3.035370379970728,1.3598856828669619,14.287906160556691,7.2685858698276915,12.074390675361192,14.437465508015908,2.887493101603181,7.270389499656865,0.24926557909869285,0.11068880188143487,0.022137760376286973,-1.100516300866787,15.180940051135188,3.0361880102270375,1.3600203485011708,15.718156210711388,7.659580866326686,12.835477566430226,15.47875952387658,3.095751904775316,7.660648632443288,-0.39899447805801724,0.06833099860436176,0.013666199720872352,-1.3416958779304868,23.995412761432306,4.799082552286461,1.5889313385695072,14.28960548193458,7.269050141076759,12.075223557536708,14.438702362065943,2.8877404724131885,7.270852539176709,0.24849480021893822,0.11064139940731593,0.022128279881463188,-1.1007304717055053,15.185236501378848,3.0370473002757694,1.3601618365237047,17.227669609487553,8.0726876725742,13.784821785591628,16.57829305088406,3.315658610176812,8.073347241695464,-1.0822942643391542,0.02159071092860032,0.004318142185720064,-1.9177460531958523,23.120543674032476,4.624108734806495,1.5703607794202596,14.455766862891718,7.31445052438501,12.157424557130824,14.559647374418699,2.9119294748837397,7.316137842839514,0.1731341858783031,0.10596731851804464,0.021193463703608927,-1.1223122741383411,15.636622267186668,3.1273244534373337,1.374807872110813,15.791496591627913,7.906171139681312,13.280462707403364,15.924829924961248,3.1849659849922496,7.9073055808058585,0.6666666666666661,0.15197284347894818,0.030394568695789638,-0.9420267177102026,11.403132585922652,2.2806265171845306,1.2169440529459528,0,11.988787965008802,16.005924145601547,-0.3894618311674538,0.20631371719955094,3.288229330594875,5.9047659017835485,4.0,12.0,11.0,11.0,3.0,1.0,1.0,0.0,0.0,1.0,9.703655999999999,3.4244609777090798,2.8854652552172446,2.06350408383693,1.3321427865418687,0.49549645206382026,0.08392307051869154,0.08392307051869127,0.08392307051869108,1.8019206983733158,1.3453087502700278,0.833966128434448,0.5521527227753766,0.08392307051869098,0.08392307051869108,0.08392307051869127,0.08392307051869154,3.397792168430498,2.8198057297383428,2.038604700901617,1.4048545130109364,0.4124656682605914,0.2709139018929375,0.27091390189293735,0.2709139018929371,1.754938435317664,1.3140180744994447,0.7769039397762383,0.4292076187600346,0.27091390189293696,0.2709139018929371,0.27091390189293735,0.2709139018929375,3.5585352410382423,3.0675113972910792,2.3888759881400103,1.8604564603527918,1.0602336204901415,0.9439184268026226,0.9439184268026223,0.9439184268026216,1.5465451385276379,1.0132085619367592,0.35908347092111215,0.08956095351242828,0.9439184268026214,0.9439184268026216,0.9439184268026223,0.9439184268026226,3.407235712005881,2.818821363447481,2.056746659822046,1.470911286750678,0.42410311597510625,0.39927724550898264,0.3992772455089822,0.3992772455089822,1.728819134182285,1.296541345471722,0.7345068879119191,0.3406022674412589,0.3992772455089819,0.3992772455089822,0.3992772455089822,0.39927724550898264,3.6074354894187537,3.1233772727939266,2.494809367732387,2.0392273184085465,1.2081735808629233,1.2076448229620884,1.207644822962088,1.2076448229620875,1.4940371783533528,0.9510006118827825,0.2528743024138235,0.2648544284769817,1.207644822962087,1.2076448229620875,1.207644822962088,1.2076448229620884,4.752495101281049,3.268350560299405,2.498178655881522,1.708935386776303,1.262648300784402,0.5714285714285718,0.5714285714285715,0.5714285714285715,1.6509519346511758,1.0156276598839051,0.42317830672209283,0.11513581805122793,0.5714285714285713,0.5714285714285715,0.5714285714285715,0.5714285714285718,0,0,1,0,0,1,2,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.121320343559642,2.414213562373095,1.3535533905932737,0.7071067811865475,0.35355339059327373,0.0,0.0,0.0,0.8242640687119284,0.6035533905932737,0.45118446353109126,0.35355339059327373,0.35355339059327373,0.0,0.0,0.0,3.399812122026584,1.8510573320459265,0.9553418012614795,0.40652626479257087,0.11785113019775793,0.0,0.0,0.0,0.6799624244053167,0.4627643330114816,0.3184472670871598,0.20326313239628543,0.11785113019775793,0.0,0.0,0.0,6.882110319560352,12.88201019664967,12.250980392156867,12.440000000000005,7.674457485029937,100.26754131736529,0.5293931015046425,0.9909238612807438,0.9423831070889898,0.9569230769230773,0.5903428834638413,7.712887793643484,0.9854,20.971999999999994,8.288215751900175,13.524283729399965,16.576431503800354,3.3152863007600706,8.288774052044314,2.220446049250313E-16,4.4408920985006264E-17,-18.021826694558577,2000004.2294850536,400000.8458970107,7.254329926632255,24,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,3.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,2.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.40486111111111,0.9305555555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5940972222222223,0.0,0.0,0.9729166666666668,0.4013888888888889,0.0,0.5940972222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9805555555555556,0.0,1.6840277777777777,0.0,0.9305555555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.40486111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.40486111111111,0.9305555555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5940972222222223,0.0,0.0,0.265625,0.4013888888888889,0.0,0.5940972222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9805555555555556,0.0,0.7083333333333333,0.0,0.9305555555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.40486111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.40486111111111,0.9305555555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5940972222222223,0.0,0.0,0.4013888888888889,0.4013888888888889,0.0,0.5940972222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9805555555555556,0.0,0.9756944444444444,0.0,0.9305555555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.40486111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,2.8,0.7329861111111111,9.40486111111111,0.265625,0.7083333333333333,1.9278569444444444,1.0694444444444444,2.404861111111111,4.809722222222222,1.0694444444444444,2.404861111111111,4.809722222222222,2.33333,0.46667,0.0,0.03333,0.51282,0.85333,0.41765,0.51282,0.85333,0.09517,0.0,-0.09517,0.0,0.54687,0.16742,0.0,0.35714,0.0,0.0,3.75,0.75,2.25,0.45,1.5,0.3,-0.75,-0.15,0.0,0.0,2.64222,0.52844,4.09272,1.45051,0.2901,1.67274,0.33455,2.41421,0.74147,0.14829,-2.1E-4,-4.0E-5,-2.1E-4,-4.0E-5,0.0,4.01,1,1,1,1,0,0,0.75,1.2389012566026307,2.188787067802383,2.873140679513133,3.026986833359287,2.4576884151837346,1.057485468349384,16.1057163358342,28.454231881430978,37.35082883367073,39.35082883367073,31.94994939738855,13.747311088541991,0.33479838910198223,0.5914937776373007,0.7764322346416844,0.8180073353228106,0.6641611814766568,0.28577292130044735,2.4615384615384617,1.5116526503387093,0.8272990386279591,0.6734528847818053,1.2427513029573576,2.6429542497917082,0.33479838910198223,0.5914937776373007,0.7764322346416844,0.8180073353228106,0.6641611814766568,0.28577292130044735,11.26589917459177,18.987633237583584,17.98623809697452,19.832391943128364,13.000810925021732,5.3318235237306,18.282605588284888,12.75966659282669,14.089430770635177,12.51979410773571,9.104003598682393,4.026404032311481,5.0,4.0,4.0,5,1,4,1.7899999999999998,0.6879000000000002,0.0,1.6509636244473134,0.0,0.0,2.381101577952299,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.42300000000000004,0.41500000000000004,0.622,0.171,2.413,3.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.0,0.0,0.0,0.0,0.0,0.0,2.995732273553991,1.2666666666666666,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.5,3.0,0.75,0,2.0,4.0,1.0,0.5,0.22222222222222232,0.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.125,0.07407407407407411,0.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2615740740740741,8.288215751900175,13.524283729399965,16.576431503800354,3.3152863007600706,8.288774052044314,2.220446049250313E-16,4.4408920985006264E-17,-18.021826694558577,2000004.2294850536,400000.8458970107,7.254329926632255,17.07,83.8941652040279,3.321928094887362,2.70805020110221,3.2188758248682006,3.7612001156935624,4.290459441148391,4.844187086458591,5.37989735354046,5.937536205082426,6.47543271670409,7.034387929915503,52.65002687451343,2.1972245773362196,0.0,3.044522437723423,0.0,4.04305126783455,0.0,5.10594547390058,0.0,6.192362489474872,6.60934924316738,72.057514876,5.542885759692307,8.849873734152917,1.7699747468305833,2.362436867076458,2.362436867076458,0.0,20.0,2.0,1.156,14.0,1.2222499999999998,2.118266204298697,2.8501808452148687,3.5376367388336667,4.90725648605262,0.0,0.0,0.0,0.0,0.0,83.08822345158332,72.73899980195895,68.02669743685288,85.57678809742612,44.6736643039473,0.0,0.0,0.0,0.0,0.0,276.36929651157385,297.56883008335245,280.8024602800031,317.85987591925635,286.2989561667759,0.0,0.0,0.0,0.0,0.0,9.153614798333333,15.556927438862434,20.775054920547422,26.69633542017891,40.19897088104133,0.0,0.0,0.0,0.0,0.0,2.019696729686667,2.4330386178803156,2.414350253410832,2.660159399286782,2.4186142763564127,0.0,0.0,0.0,0.0,0.0,177.18251646257764,335.0308772738389,483.65310923146035,608.3611172526305,908.1386144901826,0.0,0.0,0.0,0.0,0.0,3.751395833333333,5.061243824602111,6.809975672695205,11.933741618565909,20.665750332242368,0.0,0.0,0.0,0.0,0.0,0.43991562500000003,0.5483788741575301,0.5724977564130698,0.6913768819708214,0.7714480258134264,0.0,0.0,0.0,0.0,0.0,231.06862298604528,96.42749959847569,10.30373786543737,87.61766102429512,-36.56382188138905,-18.07752159106459,143.45096196175018,132.99132147986475,28.381259456501958,0.7250661060095948,0.30257812914015125,0.03233191506008789,0.2749338939904053,-0.11473296378266054,-0.0567251322007885,73.63840081080909,30.730121523446808,3.2836599317528723,27.922546805510247,-11.65238852459585,-5.76105817997307,0.2867753136654846,0.7256975072955952,7.774116716264834,38.06868968784533,266.22821531762406,52.45806869271631,0.8353927629624178,0.1646072370375821,318.9751720231154,17.859876036051187,6.832594181302838,396.4714606774166,19.9115911136558,7.346333560482098,432.88036360456647,20.805777168963587,7.564657947632498,1.9985620199098117,1.9233220826243695,244.80300950364483,232.27727988820462,22.55504428553391,1.0539257633009516,10.85358141640421,10.298240914436152,3.0781618624992713,3.220194403635264,5.498947764355381,0.7076446559088612,2.244419463580673,2.8892271024510254,2.049849483096305,7.616421454679893,4.1481514633031455,0.3965521624389515,1.0340747911944417,2.78777523372783,0.10331911474492615,1.9997785722881012,2.4998954701182854E-11,6.027506583936462E-44,2.8030409477080404E-98,2.5141842163854784E-174,4.3495132080597E-272,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20485233747345993,2.889147615775967,0.18107379851140104,2.2524036892209445,0.03078773986058827,0.465075184128103,0.10958553423536939,0.11941186784943385,0.13366641149228786,0.22355116998953353,2.7945821849518516E-12,6.738026737714685E-45,3.1334623346410564E-99,2.810555283123715E-175,4.8622321492031356E-273,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6139103933399335,2.8890353242719753,0.43308496006570846,2.585247214975015,0.3081948363280845,0.25306361488307244,0.28400275250427925,0.4607720401957391,0.0721621131504965,0.38725514963611307,4.841022940092927E-12,1.1672207095529846E-44,5.4280611697865836E-99,4.8686929564162E-175,8.422789460656086E-273,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1236597297629793,2.8892767894859186,2.2274138986733965,7.160022286916655,3.6975906198794717,0.5067300354904728,1.0220058100349025,2.552886768232643,0.13724069213672194,2.5117961185866795,3.139961506603694E-11,7.570772010505427E-44,3.520723479218407E-98,3.157908702313638E-174,5.4631500432798475E-272,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8972155405821161,2.8890015521147947,0.5588811401172608,3.046534420797487,0.6656292693352458,0.1753895886231341,0.3954065816720965,0.7553736306669927,0.04868224796800042,0.3834549677465895,4.793517393114413E-12,1.1557666307481237E-44,5.374794945252107E-99,4.820915880201695E-175,8.340135603121249E-273,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.7104845564315068,2.889335128160498,2.7819561342381083,9.956530472005145,6.045242296104161,0.4912362010971786,1.2808519018453968,3.7406704171729177,0.12576716073481706,2.920694263384792,3.651119408826334E-11,8.803226590269249E-44,4.0938660556985385E-98,3.671988248922867E-174,6.352502447689087E-272,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3353855521203644,2.598600446033014,2.7704791715903268,4.697426380712252,1.3616131800745324,1.2116614527874943,0.9229150530307254,1.3357700853931436,0.4649017797440766,4.570922450944231,5.7140467888417944E-11,1.3777157906140482E-43,6.406950737618378E-98,5.746706780309665E-174,9.941744475565028E-272,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.7541147915152195,0.7310080206876699,0.3827478576923078,0.7120493487414987,0.1889949491789696,0.49656688051365966,0.5566278005186429,0.4615225691616376,3.867870669895197,3.3472032926574227,7.985652570441263,0.5680740231122481,1.51471725019394,3.677394369964715,0.24431012291480314,0.06955674105426662,0.9213614831070019,0.061211258445744786,0.8951705081834134,0.053885709076592916,0.015242136900241834,3.991261233933785,1.1712056544348592,5.224958380533623,0.8820422246605029,0.9642983541602481,2.8500266623633728,0.4495396785739515,0.19586903432226993,0.8153567027831865,0.12860763547675824,0.5327025917928041,0.19832383487462477,0.12086455871993924,3.495435375259594,1.9274829426076816,5.673865738298137,0.7230350541747798,0.8518909853873682,2.940058644218017,0.7049693849429431,0.3645918418273309,0.7332512155306512,0.1758195059945127,0.5659144744055709,0.5049055311234685,0.418775532556869,4.009619870988291,3.4015988167745994,8.166890455132133,0.5998768232959768,1.4895955380859083,2.5760313115607776,0.5448747223437794,0.258870759053046,0.7621897744633375,0.16121618548275962,0.43437661599981303,0.30486412159979703,0.21112195591989574,3.3797767929576032,2.2115256595656647,5.95465716359569,0.6432846616950063,0.9503626935195058,2.799174907144824,0.7631553609087535,0.40408103627599135,0.7057197785033947,0.19240449422774814,0.5129579764286295,0.607117667424151,0.5144040094415425,3.9664113043295686,3.575675442781254,8.405286813185615,0.558579667755092,1.6344796532943229,2.970392068732152,0.7030395964046876,0.36374244682758633,0.7357602090851626,0.17414151010261963,0.5776736129499944,0.5014347568768246,0.41682655040186783,4.037174111964426,3.4244862632959454,8.221264905919758,0.603640313627744,1.495934920228687 +UMLCN0064,L,3-cyclohexene-1-carboxaldehyde,C1CC(CC=C1)C=O,Aldehydes,Cycloalkenes,C7H10O,Marquardt (2015),IQT,PubChem,,28.1,0,0.7043000000000005,0.49603849000000066,34.003099999999996,19.78992999999999,0,0,18,8,10,0,7,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1275.9774879999989,1323.0837159999994,1607.5939009999988,1426.570582999998,779.8723870000002,274.9197810000003,17.143056,0.0,0.0,3491.84653351897,4414.713978026316,6160.861907399087,5993.908358449223,3491.766712915918,1089.0810710025612,113.09737505639707,0.0,0.0,133.31996799999996,133.99381599999998,242.33721200000014,332.12318,279.35369200000014,119.86729199999998,16.189632,0.0,0.0,24.61163304848999,31.997083100000005,47.790032900547025,50.107592093886055,30.75469166643298,9.616861626490005,0.9793808908489999,0.0,0.0,2922.1882986749906,2572.1292981740007,4970.086364161898,7389.630987425238,6461.533872097434,2864.31777417174,370.101928720399,0.0,0.0,79.52777777777777,49.25,73.91666666666669,97.91666666666667,97.83333333333333,49.0,8.0,0.0,0.0,70.88763822222217,73.50465088888886,48.71496669696966,31.012403978260824,20.522957552631585,17.182486312500018,8.571528,0.0,0.0,193.99147408438722,245.26188766812868,186.6927850726996,130.30235561846138,91.88859770831364,68.06756693766008,56.548687528198535,0.0,0.0,7.406664888888887,7.4441008888888875,7.343551878787883,7.220069130434783,7.351412947368424,7.491705749999999,8.094816,0.0,0.0,1.3673129471383327,1.777615727777778,1.4481828151680918,1.0892954803018708,0.8093339912219205,0.6010538516556253,0.48969044542449996,0.0,0.0,162.34379437083282,142.89607212077783,150.6086777018757,160.64415190054865,170.04036505519562,179.01986088573375,185.0509643601995,0.0,0.0,4.41820987654321,2.736111111111111,2.2398989898989905,2.1286231884057973,2.574561403508772,3.0625,4.0,0.0,0.0,0.1502195616021746,-0.024284710529001573,-0.0574041460608885,-0.0018957301537123362,0.009609344232733212,0.010203675882511599,-0.011338214172729694,0.0,0.0,601.8472471111111,4.050093593832571E-13,-238.54926159259222,-117.49354872839535,-28.28370712345729,107.77301045678985,-24.370116567901256,0.0,0.0,935.251792451302,7.105427357601002E-14,-371.37461729574704,-349.51595033350776,-32.70202518840876,263.4507817689288,22.515914823083566,0.0,0.0,1.0394337777777773,5.724587470723463E-16,-0.11023214814814808,0.057966123456788074,-0.1991944197530861,-0.17026558024691263,-0.09799086419753028,0.0,0.0,4.217026514884444,3.913536161803677E-15,-1.4625605068000334,-1.945428154564802,-0.21679751781527556,1.2537904979032684,0.26248242383461673,0.0,0.0,23.42225710963441,1.532107773982716E-14,-7.624880238138903,-11.207696824678703,-1.397833789643073,6.851862539750473,1.667419757892947,0.0,0.0,33.341049382716044,1.9953703703703705,-4.262602880658436,-0.8345336076817543,-6.227709190672151,-4.454389574759944,-2.886659807956104,0.0,0.0,0.00834553120012081,-0.0013491505849445317,-0.0017395195776026817,-4.121152508070296E-5,2.528774798087687E-4,6.377297426569749E-4,-0.005669107086364847,0.0,0.0,33.435958172839506,2.2500519965736505E-14,-7.228765502805825,-2.554207581052073,-0.7443080821962444,6.7358131535493655,-12.185058283950628,0.0,0.0,51.95843291396122,3.947459643111668E-15,-11.253776281689305,-7.5981728333371255,-0.8605796102212832,16.46567386055805,11.257957411541783,0.0,0.0,0.057746320987654295,3.180326372624146E-17,-0.003340368125701457,0.0012601331186258278,-0.005241958414554898,-0.01064159876543204,-0.04899543209876514,0.0,0.0,0.23427925082691356,2.1741867565575981E-16,-0.04432001535757677,-0.04229191640358265,-0.005705197837244094,0.07836190611895427,0.13124121191730836,0.0,0.0,1.3012365060908004,8.511709855459534E-16,-0.2310569769133001,-0.2436455831451892,-0.03678509972744929,0.4282414087344046,0.8337098789464735,0.0,0.0,1.8522805212620024,0.11085390946502058,-0.12916978426237685,-0.018142034949603356,-0.1638870839650566,-0.2783993484224965,-1.443329903978052,0.0,0.0,-0.1616614392292969,-0.20843725053445375,-0.004938154815131046,0.03030094475054003,0.07641571607182335,-0.6792985312046741,0.0,0.0,6.729437765601103E-16,-0.2161973485383126,-0.07639103888839326,-0.022260707420098887,0.20145416855500675,-0.36442976214298295,0.0,0.0,7.597341608913279E-17,-0.21659191108254958,-0.1462356042554066,-0.01656284768338434,0.31690089437115654,0.2166723817514668,0.0,0.0,5.507409508051733E-16,-0.057845557406429424,0.02182187708365411,-0.09077562561389127,-0.18428184832254732,-0.8484598024736498,0.0,0.0,9.280321449225976E-16,-0.18917601623338198,-0.18051925748570918,-0.024352126008201712,0.3344807781413317,0.5601913590472846,0.0,0.0,6.54124735635536E-16,-0.17756724149051573,-0.1872415829134351,-0.028269341933819386,0.32910343871379355,0.6407058786347154,0.0,0.0,0.059847257579264075,-0.06973554101533737,-0.009794431643238769,-0.08847854419664063,-0.15030085628326775,-0.779217773663504,0.0,0.0,0.8530822609318166,0.8533664143251319,0.7035326516863999,1.157399154700139,1.605892402281211,3.722739668909445,0.0,0.0,0.962388531405621,1.1392507414317656,0.9708530911729285,0.9758573502411669,0.82287537250265,1.5869522521445911,0.0,0.0,1.1540946651375787,1.2725069608595718,1.0976100558884456,0.8501227818959227,0.4175269260610975,0.37920360963325256,0.0,0.0,0.48230339937213684,0.6013279141176554,0.5948185362829832,1.397136877986247,2.1749304028133265,4.611488583955539,0.0,0.0,1.2113612898622221,1.2765825436370233,1.1252218124496154,0.8311808852927515,0.35539675505721224,0.018423873868001768,0.0,0.0,1.214274641881441,1.2635350307123996,1.1228229521514235,0.8371237207499385,0.374106483304249,6.97561469248E-5,0.0,0.0,0.43355704697986586,0.6133176242873075,0.6167231820331447,1.3945346471942413,2.1510645683869476,4.588937745892155,0.0,0.0,29.650923962037552,14.678435400806455,22.63265501433761,29.77592396203756,3.721990495254695,14.678437357675962,0.2500000000000089,0.026656608407933713,0.003332076050991714,-2.8997745510647146,80.5288182373421,10.066102279667762,3.51089208870975,29.652880290800503,14.679046331652552,22.633641518683135,29.777513080349856,3.722189135043732,14.679048287098329,0.2492655790986973,0.026705462153486292,0.0033381827691857865,-2.8983097275692904,80.42478232116085,10.053097790145106,3.5098578932118287,31.389173144323287,15.223014435242995,23.554580870758556,31.200852377611348,3.9001065472014185,15.223015491849196,-0.39899447805803234,0.07249390169012382,0.009061737711265477,-2.0994022682226583,51.81946032131561,6.477432540164451,3.1582126084746793,29.654933497819147,14.679687521312509,22.634676991325644,29.779180897928615,3.722397612241077,14.679689475265373,0.24849480021893555,0.026756742168643488,0.003344592771080436,-2.896775034968151,80.3162375915883,10.039529698948538,3.508777449689644,33.23623323477578,15.804830740833086,24.64510165322241,32.87733973978372,4.109667467472965,15.804831311367385,-1.0822942643391578,0.12529391147926205,0.015661738934907757,-1.6616744078455317,46.21132602508994,5.776415753136242,3.0665799360808492,29.85582094433728,14.742447771834492,22.73656836469113,29.942388037276427,3.7427985046595533,14.7424495860316,0.17313418587829332,0.0318086025392339,0.003976075317404237,-2.758414804542621,72.07546589713937,9.00943323714242,3.4221709660510244,35.57885748605531,16.851497240383576,26.420559548934055,35.61716145728649,4.452145182160812,16.85149753937206,0.5739795918367356,0.02701128940276759,0.003376411175345949,-2.889200299471766,50.905296934269806,6.363162116783726,3.1439735869186567,0,11.988662416276537,16.005924974448888,-0.38869777741708667,0.20928804167477433,3.8307030000551396,8.044631533855021,8.0,18.0,16.0,16.0,6.0,2.0,2.0,0.0,0.0,2.0,11.890069999999998,3.6819409776748575,3.1370812133776393,2.6988290333624168,2.4232817111627316,1.41102650499015,1.1155293931731878,0.740616281668229,0.4781282614681107,1.9656636950113597,1.3819024020139115,1.3009561923957715,0.9054911285116849,0.6083456779850673,0.34752837038657897,0.25705544350109655,0.08392307051869098,3.6858316633893953,3.060862998363466,2.736469860591259,2.3426424120572062,1.5062281276375056,1.157286811138858,0.8740374634742619,0.4116256654544979,1.9278609747092827,1.3782120020691289,1.2151616291170382,0.8829502169490633,0.4648206483899983,0.20505630424126062,0.08972680896327398,0.27091390189293724,3.784007366958832,3.231934396692367,2.9188780207692444,2.610122971938526,1.908649646165158,1.6174097871960744,1.411177910538839,1.0596742349360262,1.788866276094704,1.1674825377465332,0.9543067442512145,0.5403592711721906,0.017805472485284055,0.3335621850046781,0.4958846064266515,0.9439184268026218,3.6967281607854385,3.05243411836987,2.7660606741899483,2.331346029100076,1.5763280810428142,1.2183248101999256,0.971202575254139,0.4240979449850356,1.9048432509230873,1.3810576236092007,1.1595581225304574,0.8612806180433331,0.36853653923370877,0.11005280429708339,0.02398680423057959,0.3992772455089815,3.8229465870583486,3.2554650441947564,3.006890686689194,2.6707005609717003,2.085918195144524,1.7981589082360692,1.633633862270977,1.2081735808114427,1.75105081115501,1.135791862250225,0.8719662094602965,0.47868522206928754,0.189123858178774,0.5143486527624705,0.7150340025463885,1.2076448229620873,4.870530696305318,3.668451031790257,2.846248281764506,2.7217703996034173,1.7216124243234572,1.6420041964754957,1.202167077023161,1.1110499452942006,1.872066069051324,1.158188344594115,1.0874829936443744,0.4482133757467554,0.23374022914491965,0.08507060550533119,0.21247649494141316,0.591549295774648,0,0,1,2,0,0,3,1,0,0.0,0.0,0.0,0.10206207261596577,0.07216878364870323,0.0,0.0,0.0,0.06804138174397717,0.039283710065919304,0.20412414523193154,0.0,0.0,0.0,0.16666666666666666,0.0,0.0,0.0,0.49279927982674443,0.5948613524427102,0.4927992798267445,0.2821175568066727,0.279034551541898,0.2075930786227807,5.81999095630891,3.931851652578137,2.9122841352177486,2.302095140581215,1.5953879568423455,1.1051717155225391,0.348461712529338,0.14433756729740646,0.7274988695386138,0.4914814565722671,0.3235871261353054,0.2302095140581215,0.15953879568423454,0.1105171715522539,0.0871154281323345,0.07216878364870323,4.838969710782009,3.035362088917635,2.1806194692499723,1.5020730952710484,0.9406179274843958,0.5907181265958726,0.12392834129449005,0.032075014954979206,0.6048712138477511,0.3794202611147044,0.2422910521388858,0.15020730952710484,0.09406179274843958,0.05907181265958726,0.030982085323622514,0.016037507477489603,10.423938123346227,17.769847050254914,16.976470588235298,17.200000000000006,11.473011976047902,136.78118562874252,0.5791076735192349,0.9872137250141618,0.943137254901961,0.9555555555555559,0.6373895542248834,7.598954757152362,1.46779,32.274999999999984,31.311335179564956,44.10503795080261,62.62267035912991,7.827833794891239,31.311335179565006,0.10680307413318485,0.013350384266648106,-1.789414855081368,44.79741066630565,5.5996763332882065,3.0417202720987895,60,0.0,0.0,1.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,4.0,3.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,3.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.126018518518517,5.283796296296296,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.266736111111111,0.0,0.0,1.5461805555555554,1.196875,0.0,1.266736111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1040740740740738,0.0,5.283796296296296,0.0,0.3194444444444442,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.126018518518517,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.126018518518517,1.0590277777777777,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3440972222222222,0.0,0.0,0.34930555555555554,0.3559027777777778,0.0,0.3440972222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9618055555555556,0.0,1.0590277777777777,0.0,0.3194444444444442,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.126018518518517,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.126018518518517,2.138888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5663194444444444,0.0,0.0,0.4447916666666667,0.4447916666666667,0.0,0.5663194444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.086712962962963,0.0,2.138888888888889,0.0,0.3194444444444442,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.126018518518517,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.833333333333332,2.3541666666666665,0.5870833333333334,10.126018518518517,0.3440972222222222,0.3194444444444442,3.111390555555555,1.013888888888889,3.126018518518518,6.701574074074074,1.013888888888889,3.126018518518518,6.701574074074074,3.83333,0.47917,0.0,0.02083,0.52037,0.79583,0.43333,0.49833,0.79583,0.08704,0.02204,-0.065,0.0,0.60209,0.1122,0.0,0.08696,0.13043,0.0,6.75,0.84375,4.25,0.53125,2.5,0.3125,-1.75,-0.21875,0.0,0.0,5.16702,0.64588,8.02289,2.85587,0.35698,2.68391,0.33549,3.93185,1.24794,0.15599,-0.01785,-0.00223,0.06815,0.00852,0.3333333333333333,8.01,1,1,1,1,0,0,0.5714285714285714,1.2326602568158207,2.5917932260774963,3.3921472236645345,3.725480556997868,3.725480556997868,3.57243125132212,22.187884622684773,46.65227806939493,61.05865002596162,67.05865002596163,67.05865002596163,64.30376252379816,0.29560729662750834,0.6215443263802192,0.8134791926692311,0.893416681525275,0.893416681525275,0.8567135500246339,2.9372647446264915,1.5781317753648159,0.7777777777777777,0.4444444444444442,0.4444444444444442,0.5974937501201922,0.2852107276550944,0.5996844855293788,0.7848689633863379,0.861995034439591,0.861995034439591,0.8265827595669946,10.53887811850195,21.46663832628104,23.49460789373275,25.0519023452883,23.830549571066083,23.67630264967584,28.819705222563208,19.47805813905957,16.830744451495754,14.864161116559849,16.069675006250023,16.426065978432177,6.125,3.111111111111111,1.8,1,2,0,2.12,0.9590000000000005,0.0,0.0,0.0,0.0,7.732315986074721,3.965406456500188,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.449,0.459,0.8330000000000001,0.5,3.9779999999999998,9.0,10.0,10.0,10.0,4.0,2.0,0.0,0.0,0.0,61.0,2.3978952727983707,2.5649493574615367,2.772588722239781,2.8903717578961645,3.091042453358316,2.5649493574615367,2.1972245773362196,0.0,0.0,0.0,4.6443908991413725,1.6885245901639345,0.4,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.125,1.0,0.125,0,3.0,5.0,0.6666666666666666,1.0,0.44444444444444464,0.1875,0.15111111111111114,0.0625,0.0,0.0,0.0,0.0,0.0,0.125,0.04938271604938274,0.026785714285714284,0.05037037037037038,0.0625,0.0,0.0,0.0,0.0,0.0,0.3140388007054674,16.427289909297667,24.53917987865045,32.85457981859534,4.1068224773244175,16.427290200017904,0.07755761457499133,0.009694701821873916,-2.045387363957756,52.854475777570265,6.606809472196283,3.1740339176381696,17.07,120.78920168002792,4.0,3.5553480614894135,4.290459441148391,5.043425116919247,5.796057750765372,6.555356891810665,7.311218384419629,8.071843149609158,8.82834762005316,9.589256144850811,75.04131256106584,2.833213344056216,0.0,3.970291913552122,0.0,5.342334251964811,0.0,6.803505257608338,0.0,8.298290634359283,8.556606193773073,110.07316494,6.11517583,15.692665461309005,1.9615831826636256,2.4524550452976728,2.4524550452976728,0.0,64.0,7.0,1.7310000000000003,34.0,1.2948877872632494,2.2982532324399174,3.094026189190143,3.8961772184412298,4.9045617237154895,6.2389271689893135,0.0,0.0,0.0,0.0,108.47957242572322,123.5815967363723,103.21954624779437,90.44269599677345,89.38506858470986,53.60050263433778,0.0,0.0,0.0,0.0,349.7832510957391,458.52362189066486,424.7842925246146,378.13314444533427,347.6652414425954,353.2189281747759,0.0,0.0,0.0,0.0,9.67053534695202,16.914451685838873,22.416122992276364,28.669278110356064,37.06305442718574,50.525440199562176,0.0,0.0,0.0,0.0,2.4803365069462537,3.499198596313706,3.505406663506479,3.2632409867013057,3.0096327740236672,3.0558790390952817,0.0,0.0,0.0,0.0,182.21068845776685,342.31291620764995,492.67570377279117,658.3390556513941,875.6595131049254,1154.5216658848044,0.0,0.0,0.0,0.0,3.5695320269436794,5.225707140259132,6.780654419547633,10.291950451410733,15.819010875251927,25.004691921215972,0.0,0.0,0.0,0.0,0.5238552136689111,0.7498631713906077,0.7795793644579512,0.7891739751471484,0.8197391855380047,0.9591351938758408,0.0,0.0,0.0,0.0,234.29742756069567,135.530365073726,11.471921845374116,92.53927680291653,-53.52974678097495,-17.42417996222989,141.75815075777913,189.06011185470095,28.896101807604005,0.7168638786053699,0.41467302559429137,0.0350998577950761,0.2831361213946301,-0.1637813197425405,-0.05331157648329837,76.57699906480994,44.296297861893805,3.7494451286590036,30.245232254457303,-17.495486023312534,-5.694861555093706,0.21276285730945005,0.5229807225429952,2.1679180015401536,23.413206420355817,282.06792912748296,44.76877523612923,0.86302402808981,0.13697597191019004,556.0281121922048,23.580248348823744,8.223037103638127,653.3230975972923,25.560185789569143,8.677128004212289,891.7860431550355,29.862786928802134,9.625431855696087,1.993833731039238,1.921419890611854,466.15108853411465,371.2868884820253,123.867353538489,1.255501077455047,3.763308694483964,2.997455567391744,3.9823983611508393,3.9956986185102115,6.255254917408887,0.565497179499776,2.9656826342311247,3.2557055887933943,4.032568850934552,11.419532729946074,10.409981346059464,7.251726642143245,8.150598442005576,3.130546786547382,1.7735539679789227,1.7444217470298655,0.01469468792009505,0.003495088770176503,8.313686579579972E-25,5.142738072510275E-68,6.235858826087399E-133,1.4594923498109003E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.26551616020131213,3.2556442729768924,0.4588939403929352,4.948107942910598,5.4222543442908595,1.7027672875355502,0.40308012451546726,1.068781559343019,0.2028789340158784,0.18007292301403996,2.585897876976177E-4,2.868581090987133E-4,9.140070118308375E-26,5.744485495098591E-69,6.970682986410426E-134,1.6315338630072005E-220,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8094166264571327,3.255530797928854,1.0762333165376852,5.78543020416718,5.691249404416299,2.1700121290621426,1.4343226329937395,1.21880604218955,0.3010577118334178,0.37925756293467144,0.0012565682654416806,5.57592360743818E-4,1.5922993085807758E-25,9.953722179502735E-69,1.2075384706690587E-133,2.8262892418250223E-220,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.8044814816936756,3.2557572816789793,4.111888484508381,10.991325524146452,10.507631217969639,7.436649771956872,7.488259619268505,2.912543202396423,1.961975015113774,2.0236151652270107,0.013633228478728745,0.0040280223515505535,1.0388755854069008E-24,6.457909754264771E-68,7.83238077427173E-133,1.8331755630633406E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.185286861151017,3.255495463427938,1.4476726217514053,6.510990989359348,6.078962568681506,2.633454480678359,2.3039285394945486,1.4024143205705362,0.35218242918806814,0.4458203934548101,0.002390530964565317,6.381283293116986E-4,1.5893973499539376E-25,9.859752515598607E-69,1.1957099897010874E-133,2.7985569090896026E-220,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.5814840977227136,3.2558051733023228,5.12147390855057,13.533464676864762,12.229206031615172,9.140784895027744,10.850068094096976,4.056174242952019,2.5538592805217815,2.4120933429709894,0.021433929505117244,0.005102523149903387,1.214190423940764E-24,7.511005379654711E-68,9.107526364845638E-133,2.131601458803711E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.773308554792446,2.857839740762323,4.462560082348911,8.12745247234267,11.297563902533431,8.370744160712988,3.8008289280490586,2.2607742230648276,2.946075290945793,3.33437320998777,0.008250911247727043,0.006479608206880913,2.0056543006676033E-24,1.2588235685397076E-67,1.527430930665893E-132,3.575041144090022E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0500755950749503,1.7836935603069202,0.47667991914129804,0.5743536096989726,0.3358837520661245,0.4446443277454132,0.5228561665632255,0.2841139906686251,5.310449074523168,7.744560887519617,15.648339488228324,0.3653560426476457,1.2516144849772637,3.3716020846689334,1.0086163697252668,0.13205840195440155,0.7472063864887232,0.2235271464573771,0.5694705497556383,0.1585177817093642,0.021870330186245634,4.512276856348601,3.9790977040953983,8.940459368461834,0.6208095797330847,0.749858661651248,2.9045920422660045,1.3152382834562886,0.2570974071943927,0.6487913621901785,0.29378144163149583,0.4077663202045067,0.28107133657080546,0.08255461294428419,4.476927732916686,4.905138087354206,10.364237215735978,0.4731870432852679,0.7713922697195964,3.170608011807491,1.7463767287472298,0.45923001307235223,0.5897472770536993,0.32483388569421145,0.48423259269736607,0.4981017580274736,0.2641423732934655,5.376214753627073,7.795103014481626,15.714109273922558,0.38462091558054895,1.2464767240183052,2.7813001016511003,1.4543979402842533,0.32146476743054175,0.6103139646305731,0.3191454861553706,0.36960399686936835,0.34718479459474816,0.12870612528697822,4.557162809365896,5.406744825110494,11.264270274843748,0.41547094694585973,0.8454949167510947,3.1118144208431864,1.847088113415213,0.5064432043796796,0.569371924422594,0.33796363519272854,0.4630703822487419,0.5606699105463603,0.320931189072776,5.465345738638079,8.259197917549832,16.635475590809165,0.3610033394229838,1.3446714818678782,3.2060699337053093,1.7434958615705944,0.4584577812423184,0.5928357908101858,0.32239058075502824,0.4955072618093724,0.4961562811177252,0.2633430691098184,5.408023576518222,7.858936613936179,15.829633587039307,0.3892536862152786,1.255006612036916 +UMLCN0065,L,isobutyraldehyde,CC(C)C=O,Aldehydes,,C4H8O,Marquardt (2015),IQT,PubChem,,21.1,0,0.5418999999999999,0.29365560999999996,21.3805,13.176344000000002,0,0,13,5,8,0,4,0,1,0,0,0.0,0.0,0.0,0.0,0.0,841.1529970000001,721.813056,768.2506079999998,577.06665,112.00291200000001,0.0,0.0,0.0,0.0,2159.1283394091183,2491.17313828796,2989.1624682400466,2511.371474980884,958.337950216754,0.0,0.0,0.0,0.0,97.26149199999998,89.59648800000001,153.61370400000004,176.2150320000001,157.60396800000004,0.0,0.0,0.0,0.0,15.355707238792004,18.61439448,24.043928515093995,21.915358659942992,9.877801488735004,0.0,0.0,0.0,0.0,2171.969926356492,1758.7067783882005,3359.6420626556446,3930.0101656764937,3884.870440540635,0.0,0.0,0.0,0.0,70.77777777777777,37.33333333333333,49.66666666666666,70.0,57.0,0.0,0.0,0.0,0.0,64.70407669230771,60.151087999999994,36.58336228571428,24.04444375,5.333472,0.0,0.0,0.0,0.0,166.08679533916296,207.59776152399664,142.34106991619268,104.64047812420351,45.6351404865121,0.0,0.0,0.0,0.0,7.481653230769229,7.466374000000001,7.3149382857142875,7.342293000000004,7.504950857142859,0.0,0.0,0.0,0.0,1.1812082491378464,1.55119954,1.1449489769092378,0.9131399441642913,0.47037149946357165,0.0,0.0,0.0,0.0,167.07460971973018,146.5588981990167,159.9829553645545,163.7504235698539,184.993830501935,0.0,0.0,0.0,0.0,5.444444444444444,3.1111111111111107,2.3650793650793647,2.9166666666666665,2.7142857142857144,0.0,0.0,0.0,0.0,0.1284640309520295,-0.03181403008371289,-0.0388305986437244,0.02958137909149306,-0.023168765840070576,0.0,0.0,0.0,0.0,441.19765476923067,-41.787273940828186,-24.30772247337268,-178.86089780473372,24.357066834319188,0.0,0.0,0.0,0.0,616.1115391890872,-93.79664945282602,-47.35327963077347,-469.56409588254337,302.65825537159947,0.0,0.0,0.0,0.0,1.006116923076923,-6.21159763313439E-4,-0.02750887573964539,-0.002328165680473726,-0.47260026035502856,0.0,0.0,0.0,0.0,2.720424659843078,-0.4680302783806872,-0.2350716747743556,-2.5363074114565265,1.8791970346900304,0.0,0.0,0.0,0.0,15.167709365843058,-2.6251213234037314,-1.3295589942974146,-14.537235206679581,10.9080608414592,0.0,0.0,0.0,0.0,32.41025641025642,0.02301117685733084,-1.1669953977646297,-0.039447731755423376,-15.021696252465457,0.0,0.0,0.0,0.0,0.0098818485347715,-0.002651169173642741,-0.001849076125891638,0.0012325574621455443,-0.0011032745638128846,0.0,0.0,0.0,0.0,33.938281136094666,-3.482272828402349,-1.1575105939701278,-7.452537408530572,1.159860325443771,0.0,0.0,0.0,0.0,47.39319532223748,-7.816387454402168,-2.2549180776558795,-19.56517066177264,14.41229787483807,0.0,0.0,0.0,0.0,0.0773936094674556,-5.1763313609453245E-5,-0.0013099464637926375,-9.700690335307192E-5,-0.022504774302620406,0.0,0.0,0.0,0.0,0.20926343537254447,-0.0390025231983906,-0.011193889274969313,-0.10567947547735528,0.08948557308047764,0.0,0.0,0.0,0.0,1.1667468742956197,-0.21876011028364428,-0.06331233306178165,-0.6057181336116492,0.5194314686409143,0.0,0.0,0.0,0.0,2.493096646942802,0.0019175980714442366,-0.05557120941736332,-0.0016436554898093074,-0.7153188691650217,0.0,0.0,0.0,0.0,-0.2682867648005338,-0.18711844442719894,0.12472944285763078,-0.11164657704788387,0.0,0.0,0.0,0.0,-0.10260604579348652,-0.034106341135204714,-0.21959089143747212,0.034175576564784094,0.0,0.0,0.0,0.0,-0.16492636551000014,-0.0475789417093353,-0.4128265783462044,0.3041005734440454,0.0,0.0,0.0,0.0,-6.688318837386693E-4,-0.01692577039378783,-0.0012534226536347786,-0.29078336644944536,0.0,0.0,0.0,0.0,-0.18638001965778567,-0.05349185468087733,-0.5050068842137555,0.42762163834866596,0.0,0.0,0.0,0.0,-0.18749577573602896,-0.05426398343685654,-0.5191512803300451,0.4451963661394009,0.0,0.0,0.0,0.0,7.691631504922686E-4,-0.022290034157122777,-6.592827004219292E-4,-0.286919831223628,0.0,0.0,0.0,0.0,0.9383998729700338,0.803033599299925,0.7596546841179043,1.5068468342967376,0.0,0.0,0.0,0.0,1.1156362747609225,0.9398407133154753,1.105775650609882,0.873194957552705,0.0,0.0,0.0,0.0,1.4895581930600008,1.0986740078251205,1.3407184362130196,0.23218595475428325,0.0,0.0,0.0,0.0,0.504012991302433,0.6217590335337775,0.7724738369603779,1.9216920149101144,0.0,0.0,0.0,0.0,1.6182801179467121,1.1380521306409408,1.4349845036358888,0.011519797805635567,0.0,0.0,0.0,0.0,1.6249746544161865,1.1345247596858734,1.4447654896910476,4.344957225275852E-5,0.0,0.0,0.0,0.0,0.5159546413502107,0.6337402049427365,0.7713607594936706,1.9041591320072324,0.0,0.0,0.0,0.0,12.64496478764038,6.4474823938201915,9.696903290517746,12.794964787640382,2.5589929575280763,6.451362111466518,0.25000000000000444,0.09118450480765183,0.018236900961530366,-1.1974351498809719,13.752066501238497,2.7504133002476996,1.3105945519095914,12.646578386146018,6.447921982622356,9.697812265401003,12.796137733605232,2.5592275467210466,6.451799156943182,0.24926557909869462,0.0911200507444564,0.01822401014889128,-1.1977887014731732,13.750208207629573,2.7500416415259146,1.3105269831854978,14.072553776505995,6.836779649223985,10.596374498107236,13.833157089671179,2.766631417934236,6.839072455521537,-0.3989944780580261,0.033164002646770996,0.006632800529354199,-1.7031451244598053,12.93276966187529,2.586553932375058,1.2798821870833321,12.64827187199943,6.448383336109186,9.698766494814098,12.797368752130794,2.559473750426159,6.452257843684413,0.24849480021894088,0.09105239676626364,0.018210479353252727,-1.1981600747638514,13.748260350133922,2.7496520700267846,1.3104561480589956,15.578638488717813,7.24817211218933,11.741039297695584,14.929261930114322,2.9858523860228643,7.249591298916861,-1.0822942643391524,0.020447041833498325,0.004089408366699665,-1.9449585302876669,13.652879567949817,2.7305759135899637,1.3069752283707774,12.813872406167167,6.49350329602273,9.793335281234784,12.917752917694141,2.5835505835388286,6.497128879521599,0.17313418587829243,0.08439595341603223,0.016879190683206445,-1.2361179119186567,13.56972975496627,2.7139459509932538,1.3039207793801053,15.285765016736562,7.66443440811523,11.405605029313968,15.40838406435561,3.0816768128711223,7.665726318013163,0.6130952380952417,0.1399276078888947,0.02798552157777894,-0.98331503830803,14.734428816087723,2.9468857632175447,1.345093425842261,0,11.988787965008802,16.005924145601547,-0.38884836774181286,0.20852565667193132,3.4481058274295946,6.533502648641794,4.0,12.0,11.0,11.0,3.0,1.0,1.0,0.0,0.0,1.0,9.703655999999999,3.4685862189604033,2.682156569615678,2.3335527931030464,1.185861809963424,0.4796784555410734,0.08392307051869148,0.08392307051869123,0.083923070518691,1.8085230840695408,1.2496297225843565,1.0548457731774572,0.36911601183649506,0.08392307051869062,0.083923070518691,0.08392307051869123,0.08392307051869148,3.4381352881886786,2.55131597109205,2.4054545878412883,1.2106969251314912,0.4116357371958371,0.2709139018929374,0.2709139018929373,0.27091390189293707,1.7688268539126408,1.1345406859483513,1.080602523384617,0.23481373421512958,0.2709139018929368,0.27091390189293707,0.2709139018929373,0.2709139018929374,3.589044049533504,2.854019561859076,2.70423698723352,1.668992229112321,1.059679312743312,0.9439184268026232,0.9439184268026228,0.9439184268026222,1.571245140020972,0.760318560430898,0.7335308205971295,0.29545887000645005,0.9439184268026222,0.9439184268026222,0.9439184268026228,0.9439184268026232,3.444232451583733,2.5273078277546217,2.457539916041693,1.2657573366416246,0.4240979470696085,0.3992772455089826,0.3992772455089821,0.3992772455089819,1.7470517271321275,1.0904629540746757,1.0582626705327112,0.14580962435775718,0.3992772455089816,0.3992772455089819,0.3992772455089821,0.3992772455089826,3.632032674417096,2.8933717079559584,2.8389820851496506,1.8401303004196614,1.208173580811443,1.2076448229620884,1.2076448229620882,1.2076448229620877,1.5248796413577121,0.68522814995524,0.631337262187561,0.4687200697902688,1.2076448229620873,1.2076448229620877,1.2076448229620882,1.2076448229620884,4.602947915015967,3.2309900590963205,2.5715728656350825,1.7151140387377235,1.1008299790751175,0.5454545454545459,0.5454545454545453,0.5454545454545452,1.6713785791066056,0.935209229271446,0.6263728106544352,0.011505761472278041,0.5454545454545447,0.5454545454545452,0.5454545454545453,0.5454545454545459,0,0,1,0,0,2,0,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.3333333333333333,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.13608276348795434,0.0,0.0,4.284457050376173,2.2700556100296625,1.8020951405812151,0.8164965809277261,0.0,0.0,0.0,0.0,0.8568914100752346,0.5675139025074156,0.4505237851453038,0.4082482904638631,0.0,0.0,0.0,0.0,3.5629488288431146,1.7237361321081008,1.3800996993442467,0.2721655269759087,0.0,0.0,0.0,0.0,0.7125897657686229,0.4309340330270252,0.3450249248360617,0.13608276348795434,0.0,0.0,0.0,0.0,6.882110319560352,12.88201019664967,12.250980392156867,12.440000000000005,7.674457485029937,100.26754131736529,0.5293931015046425,0.9909238612807438,0.9423831070889898,0.9569230769230773,0.5903428834638413,7.712887793643484,0.8412999999999999,20.901999999999994,7.459294270913435,11.32198879388198,14.918588541826864,2.983717708365373,7.460499637077925,0.06081016321964117,0.012162032643928233,-1.3999991728808059,12.37595477156519,2.475190954313038,1.2578777293681938,19,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,3.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.50462962962963,0.9166666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5819444444444444,0.0,0.0,1.0131944444444445,0.4013888888888889,0.0,0.5819444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7083333333333335,0.0,0.0,0.0,0.9166666666666667,0.0,0.2037037037037035,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.50462962962963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.50462962962963,0.9166666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5819444444444444,0.0,0.0,0.3059027777777778,0.4013888888888889,0.0,0.5819444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8541666666666667,0.0,0.0,0.0,0.9166666666666667,0.0,0.2037037037037035,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.50462962962963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.50462962962963,0.9166666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5819444444444444,0.0,0.0,0.4013888888888889,0.4013888888888889,0.0,0.5819444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8541666666666667,0.0,0.0,0.0,0.9166666666666667,0.0,0.2037037037037035,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.50462962962963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.333333333333332,2.8666666666666663,0.7048611111111112,9.50462962962963,0.3059027777777778,0.2037037037037035,1.9452407407407406,1.1296296296296298,2.5046296296296298,5.0092592592592595,1.1296296296296298,2.5046296296296298,5.0092592592592595,2.33333,0.46667,0.0,0.03333,0.51282,0.85333,0.41765,0.51282,0.85333,0.09517,0.0,-0.09517,0.0,0.54687,0.16742,0.0,0.57143,0.21429,0.0,3.75,0.75,2.25,0.45,1.5,0.3,-0.75,-0.15,0.0,0.0,2.85912,0.57182,4.43249,1.57338,0.31468,1.565,0.313,2.27005,0.70505,0.14101,0.14395,0.02879,0.14395,0.02879,0.0,4.01,1,1,1,1,0,0,0.75,1.2389012566026307,2.0349409139562287,2.353533948577482,2.0688847394897056,1.084134056984754,-0.0,16.1057163358342,26.45423188143097,30.595941331507266,26.89550161336617,14.093742740801801,-0.0,0.33479838910198223,0.5499186769561745,0.6360146706456212,0.5590915937225442,0.2929743867113626,-0.0,2.4615384615384617,1.6654988041848635,1.3469057695636102,1.6315549786513865,2.6163056611563382,3.700439718141092,0.33479838910198223,0.5499186769561745,0.6360146706456212,0.5590915937225442,0.2929743867113626,-0.0,11.26589917459177,17.141479391429737,17.46256542674188,14.046774917688563,5.358680638424797,-0.0,18.282605588284888,14.32930325572616,14.336723604739074,12.628828350212416,5.650856714645195,-0.0,5.0,2.25,4.0,5,1,3,1.7899999999999998,0.6879000000000002,0.4999999999999999,0.9999999999999998,2.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.441,0.435,0.583,0.156,2.185,4.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,1.791759469228055,1.791759469228055,1.6094379124341003,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.995732273553991,1.2666666666666666,0.3333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.25,3.0,0.75,0,2.0,3.0,0.5,1.5,0.44444444444444464,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.375,0.11111111111111116,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.48611111111111116,7.459294270913435,11.32198879388198,14.918588541826864,2.983717708365373,7.460499637077925,0.06081016321964117,0.012162032643928233,-1.3999991728808059,12.37595477156519,2.475190954313038,1.2578777293681938,17.07,83.8941652040279,3.321928094887362,2.833213344056216,3.367295829986474,4.007333185232471,4.574710978503383,5.220355825078324,5.796057750765372,6.444131256700441,7.02197642307216,7.6708948313621175,55.93596942475696,2.1972245773362196,0.0,3.2188758248682006,0.0,4.394449154672439,0.0,5.60947179518496,0.0,6.834108738813838,7.183870715062453,72.057514876,5.542885759692307,8.696801932082174,1.7393603864164349,2.329115249114694,2.329115249114694,0.0,18.0,2.0,0.8800000000000001,16.0,1.2222499999999998,2.1168630648303526,2.9009176179245446,3.435387783901389,0.0,0.0,0.0,0.0,0.0,0.0,83.08822345158333,87.4039319606795,76.01913878607624,19.358586325812283,0.0,0.0,0.0,0.0,0.0,0.0,276.36929651157385,326.6209852546264,314.0304174129638,160.26628032138973,0.0,0.0,0.0,0.0,0.0,0.0,9.153614798333331,15.561856298067932,21.39696484460414,25.97114853738641,0.0,0.0,0.0,0.0,0.0,0.0,2.019696729686667,2.5710179877381805,2.6941910451063964,1.622089753566885,0.0,0.0,0.0,0.0,0.0,0.0,177.18251646257764,334.4995595923644,473.1940480178643,635.5438258358404,0.0,0.0,0.0,0.0,0.0,0.0,3.843722222222222,5.242086015881331,8.86072044986809,9.735998496579114,0.0,0.0,0.0,0.0,0.0,0.0,0.43991562500000003,0.5741246438048069,0.6484683931496595,0.4593141319012021,0.0,0.0,0.0,0.0,0.0,0.0,215.25950697963538,89.29085930369946,8.821726068604104,78.06139432100362,-32.38030726339419,-15.960962193444828,137.19811265863177,121.67116656709365,24.782688262048932,0.7338703311804069,0.30441355835116873,0.03007534079394596,0.26612966881959316,-0.11039208975498825,-0.05441467731304172,63.140112600797835,26.190875328869673,2.587596641470298,22.897038539021363,-9.497820910890411,-4.681683816206661,0.29462610381058096,0.7293882040543119,3.669175085230494,34.27404410678492,246.33077462149572,46.99012667914327,0.8397995967188824,0.16020040328111765,318.9751720231154,17.859876036051187,6.832594181302838,396.4714606774166,19.9115911136558,7.346333560482098,459.887762507048,21.44499387985569,7.71881474431543,1.1214221336030457,1.020545154748392,173.81755229578732,128.44130535853418,62.67523224737389,1.3532839129171788,2.7733052764725947,2.049315188040901,3.1231725132174892,2.3864621981780445,4.277672032893522,0.7924742475113705,2.2444194635806762,2.8892057254795995,3.2502467742755536,6.0519888009373,3.4137153358922965,2.176508475078765,0.9512663152062508,0.012964200361513932,3.272443409306718E-23,1.6906769611110734E-65,1.7572150213164592E-129,3.6351867691147723E-215,1.5E-322,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20485233747346018,2.889147465216209,0.18674279780223227,3.3749655651385684,1.1846476067479084,0.643788464700039,0.037093202115796815,0.0014391202557920526,3.658189103873563E-24,1.8899733084465773E-66,1.964354850991933E-130,4.0637011848579995E-216,1.5E-323,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6139103933399342,2.8890337553232173,0.5140308490931048,3.701533942505711,0.8298940361052973,0.5788170018732581,0.10471120652569553,0.0024988846701498443,6.337044452449201E-24,3.2739792710235144E-66,3.4028295704960153E-130,7.039503351703833E-216,2.5E-323,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1236597297629825,2.88925774298924,3.295028293847044,6.18555483376567,3.4300926249156265,2.6636629524995783,0.9534870015532877,0.016248242385873874,4.1103073722707566E-23,2.123553020592823E-65,2.207127294605642E-129,4.5659295201632375E-215,1.9E-322,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8972155405821172,2.888998144148442,0.7415608944199868,3.9382819428885374,0.8493000096140667,0.5189094770580069,0.16103307552414314,0.0024827451051942654,6.274865447812247E-24,3.241851315378966E-66,3.369437189997169E-130,6.970423849020594E-216,2.5E-323,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.71048455643151,2.8893039518567165,4.541708286819415,6.915226556749799,4.7347931617087085,3.0805690069072305,1.3879426445146705,0.01893412591497726,4.77943247839471E-23,2.4692486308112968E-65,2.566428055292301E-129,5.309222375924236E-215,2.17E-322,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.327384162695094,2.2928692280745637,2.8308442110167125,6.843025791818094,4.4133990861461045,4.7906897188413335,0.8010002637657094,0.026827329512120832,6.815321904948632E-23,3.5210792884551366E-65,3.659654424559114E-129,7.570802196834071E-215,3.06E-322,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.533335516252646,1.3892837109420502,0.48330376357160554,0.4501967661657728,0.40790226752292896,0.5778871234991964,0.4594996748624206,0.3904119180381082,3.4059229907663013,3.5427509281286547,7.9782259887302605,0.28714855053305255,1.4277987163997252,1.985067574965861,0.7506385574432906,0.12175408977581008,0.6946964859052267,0.26269431560776496,0.8282998196793385,0.13866739833963643,0.02469721870128101,2.8574602221849617,1.8231516709454032,4.862033797940048,0.54204472885784,0.9916644367202561,1.4422247749741346,1.0970194933987676,0.27146438283125296,0.5131178481826144,0.39029996685312296,0.43642640904211305,0.2959342268349639,0.12337435836884798,2.810708651204155,2.271463070180923,5.511668739608651,0.35512672255360606,0.8557349942459249,1.574126557094846,1.4185553008684304,0.46229851617739426,0.45561085350198716,0.41058273774456855,0.5455611649764961,0.5114079728279336,0.3566994623937287,3.454980374140671,3.616497954132096,8.103784244763593,0.2992903868698336,1.4136686001981584,1.3011095012963254,1.2211902368725696,0.3441717872788843,0.45390630597423276,0.42602559489294217,0.40522345108768665,0.3841119721012565,0.19871587902953222,2.8664715254477793,2.457006629023861,5.870333471369754,0.3198978513007624,0.9880513022184754,1.5757361603861484,1.4246234577478691,0.5071646942558665,0.4492445440278377,0.4061621049113096,0.6105616298445325,0.48410405134891765,0.4295293319046253,3.507524312389884,3.766507165696253,8.412530352342362,0.28310997340872096,1.5241950130980753,1.5828481707816804,1.4202671924176307,0.4609653934306539,0.45693166008103003,0.409998291667813,0.5484762024728067,0.5110173367991526,0.3546388697053522,3.464080756629965,3.6323995824542914,8.132761579182091,0.30039492762326453,1.4141324089773115 +UMLCN0066,L,dibenzylether,C1=CC=C(C=C1)COCC2=CC=CC=C2,Aromatics,Ethers,C14H14O,Marquardt (2015),IQT,PubChem,,8.1,0,2.2847000000000013,5.219854090000005,70.5149,34.777101999999985,12,12,29,15,14,0,14,0,1,0,0,0.0,0.0,0.0,0.0,0.0,2289.8905909999985,2573.524904000001,3193.928243000002,2943.8090880000027,2178.118338999999,1833.0692659999982,1680.801369999998,1668.6973059999984,1380.1690639999986,6580.799823487994,8141.00825782952,10949.147138146429,10672.308974081365,8108.417757302541,6759.912768488641,6607.987073843686,6549.098067610069,5702.06426411141,212.9774360000001,225.28183999999993,370.40130800000026,440.60419200000024,450.23153199999985,327.015512,288.8511760000001,257.2702480000002,242.18921600000021,45.91238466788602,57.312900340000006,79.84334119369794,82.46865839879193,64.86314210098006,52.50810438218804,52.11059979018804,51.48970081879204,45.91190081879204,4549.419399401987,4225.5233100706,7247.704266302701,9126.658520598396,9921.210194094981,7036.9962954577895,6307.28470198969,5503.490635926193,5249.9019237461935,76.30555555555556,86.83333333333334,132.58333333333334,142.33333333333331,130.7777777777778,98.33333333333333,83.0,80.33333333333333,75.33333333333334,78.96174451724133,85.7841634666667,65.18220904081637,49.06348480000005,35.70685801639343,41.6606651363636,42.02003424999995,46.3527029444444,40.59320776470584,226.92413184441358,271.36694192765066,223.45198241115162,177.87181623468942,132.92488126725476,153.63438110201457,165.19967684609213,181.91939076694635,167.707772473865,7.344049517241382,7.509394666666664,7.559210367346944,7.343403200000004,7.380844786885243,7.4321707272727275,7.221279400000003,7.146395777777784,7.123212235294124,1.5831856782029663,1.9104300113333335,1.6294559427285293,1.3744776399798655,1.0633301983767223,1.1933660086860918,1.302764994754701,1.4302694671886678,1.350350024082119,156.8765310138616,140.85077700235334,147.91233196536126,152.1109753433066,162.64279006713085,159.93173398767703,157.68211754974226,152.8747398868387,154.40888011018217,2.6312260536398466,2.894444444444445,2.7057823129251704,2.372222222222222,2.1438979963570133,2.234848484848485,2.075,2.2314814814814814,2.215686274509804,0.2388742227901481,-0.04214384308699346,-0.1159896877111006,0.05420594586005001,8.138244094288679E-4,-0.028944957821375548,-0.008733987151325649,0.021186078978354374,-0.0015452903054452263,934.4074797931033,47.40814283472001,-319.5361949607617,-303.0370177788351,58.76238188347216,-39.79756078953641,86.06002511296069,-3.346171467300948,-56.89243286087997,1578.4660731026615,11.738480001657251,-318.13207578802275,-856.7574169608953,66.7221956777557,91.87630766873758,315.66917388486036,-1.5754802355824467,-112.4559208982374,1.1027809655172411,0.040927277051131555,-0.3987717003567135,0.11252710582639776,-0.12334727229488555,-0.2636538787158126,-0.12118974554102367,0.031070249702732915,0.027366316290128725,7.174587203113452,-0.18191788549059373,-0.7329638840432682,-4.693730041612094,0.05953639019053153,0.7866577500237304,1.8363100315566216,0.031096336712272576,-0.49778482085824943,39.63262275494098,-1.388773735591725,-2.922620742196923,-26.945308829689935,-0.16646064232940194,4.815155111923327,10.661913882139281,0.2521591616676444,-2.6763332483906046,10.051724137931036,-0.3121284185493468,-5.370920861408377,0.7914519751618432,0.5894768133174788,-1.6685163165543657,0.05892456070815094,0.8495838287752675,-0.15451182454749668,0.008237042165177521,-0.0014047947695664488,-0.0023671364839000122,9.034324310008335E-4,1.334138376112898E-5,-6.578399504858079E-4,-2.1834967878314122E-4,5.88502193843177E-4,-4.544971486603607E-5,32.22094757907253,1.5802714278240004,-6.521146835933912,-5.050616962980585,0.9633177357946255,-0.9044900179440094,2.151500627824017,-0.09294920742502634,-1.673306848849411,54.42986458974695,0.39128266672190837,-6.492491342612709,-14.279290282681588,1.0938064865205854,2.0880979015622176,7.891729347121509,-0.04376333987729018,-3.3075270852422762,0.03802692984542211,0.001364242568371052,-0.008138197966463541,0.001875451763773296,-0.0020220864310636975,-0.005992133607177558,-0.003029743638525592,8.63062491742581E-4,8.048916555920213E-4,0.24739955872805008,-0.006063929516353124,-0.014958446613127922,-0.07822883402686823,9.760063965660907E-4,0.017878585227812053,0.04590775078891554,8.637871308964604E-4,-0.01464073002524263,1.366642163963482,-0.046292457853057495,-0.05964532126932495,-0.44908848049483224,-0.002728862989006589,0.1094353434528029,0.266547847053482,0.0070044211574345665,-0.07871568377619426,0.3466111771700357,-0.01040428061831156,-0.10961062982466076,0.013190866252697386,0.00966355431667998,-0.03792082537623558,0.0014731140177037735,0.023599550799312988,-0.00454446542786755,-0.1705460214232342,-0.28737700213642126,0.10967922864594964,0.001619681372705642,-0.07986361333281222,-0.026508262845396695,0.07144581538396118,-0.005517722740108926,0.04904484649142923,-0.202388425105455,-0.15674948573706612,0.02989725033475736,-0.028071490316177873,0.06677335055227905,-0.0028847446896750097,-0.05193226688144398,0.007188749589423285,-0.11928178384327105,-0.262342932327842,0.02009570471587445,0.038363091977185564,0.14498895792968935,-8.040317610037553E-4,-0.06076677041495564,0.035875695827053126,-0.21401143872368814,0.049319042357532664,-0.0531751166681979,-0.1575760554831887,-0.07967363262933332,0.022696086569462592,0.02116635917924146,-0.024510672321039987,-0.060462705309716216,-0.3162044202061815,0.003945061185977901,0.07226603523357451,0.18556116682236642,0.0034914659320227984,-0.059178480756047806,-0.03387313744133426,-0.04364370048143688,-0.3286072187268125,-0.0019967648159577105,0.08007607721938184,0.19503850684692062,0.005125278102879995,-0.05759787444864581,-0.030017152658662165,-0.3162351275558823,0.03805666730195026,0.027880100104040694,-0.10940450820382203,0.004250047646274008,0.06808652563369544,-0.013111133532887165,1.1058439159120523,1.6306448070960864,0.8462055254322122,1.461114569302792,1.5884888049951307,0.8328121612945988,0.335464813203355,0.43077796674386465,0.8623737259092674,1.17303146981579,1.104227401477774,1.0095561147063308,1.05898015046343,0.89391483390624,0.9069512833818986,0.9603013588749515,0.9521804467885722,1.0508835872231987,1.2184122306582466,0.9196368627757896,0.8980196704500313,0.8357015838596993,0.9983691895112806,1.0570967888942973,0.8382845692599269,1.7435111026250276,0.8784284129160445,1.7535677897930095,1.900581160547751,0.8363405144260987,0.15053941371044122,0.15939467334046714,1.014483600931761,1.0248137464412297,1.2763326260904777,0.9358027760539099,0.8734697146244993,0.7873306837356977,0.9819338443451905,1.039694658718437,1.0321181418936105,1.0260336236179377,1.2896056099374082,0.9518904867236945,0.8792888976206368,0.7724691940962176,0.965578005164245,1.022376711350377,0.9053173241852486,1.4985978382204794,0.8833936852804776,1.2596050201988958,1.406864528648405,0.8434152849247187,0.5609872307985515,0.691846321147098,91.36152790054442,45.805763950272194,73.88936342140046,91.57819456721106,6.105212971147403,45.805763950272194,0.24999999999997158,2.7755575615628914E-16,1.850371707708594E-17,-53.73076475670442,2000057.1758185334,133337.1450545689,21.76302948903729,91.38374848513206,45.816507032115354,73.90954866464067,91.59977865368424,6.106651910245615,45.816507032115354,0.24926557909865465,0.0,0.0,0.0,2000057.169912587,133337.14466083914,21.763029484607955,111.04913368126881,55.32506960160542,91.93366678598193,110.91613552191615,7.3944090347944105,55.32506960160542,-0.39899447805797195,9.992007221626409E-16,6.661338147750939E-17,-51.80936398851132,2000054.267218182,133336.9511478788,21.763027307647803,91.40706928259098,45.827782041404944,73.93073392223833,91.62243144278068,6.10816209618538,45.827782041404944,0.24849480021890713,1.1102230246251565E-15,7.401486830834377E-17,-51.65132321502459,2000057.1637251826,133337.14424834552,21.763029479967535,131.8585634599603,65.3881345978106,111.21293876071088,131.49779870518057,8.766519913678707,65.3881345978106,-1.082294264339069,1.6653345369377348E-16,1.1102230246251566E-17,-54.49700319235341,2000053.209626409,133336.8806417606,21.763026514475282,93.68800683095694,46.93057050841762,76.00555918489542,93.83805645871811,6.255870430581209,46.93057050841762,0.17313418587830398,9.43689570931383E-16,6.29126380620922E-17,-51.895101609271244,2000056.608539068,133337.10723593787,21.763029063589794,100.25724781179517,50.03857646756819,82.03125774133662,100.43289407029857,6.6955262713532395,50.03857646756819,0.29274376417236425,0.0030497955304106816,2.0331970202737878E-4,-8.689021094729487,432.47289227079847,28.831526151386566,9.104279471365704,0,11.85,15.99491815541633,-0.3714073007289487,0.09132512624454495,6.517581054687502,8.446044752152172,16.0,30.0,24.0,18.0,4.0,6.0,0.0,0.0,0.0,12.0,17.220898,3.801422696693547,3.7542370621795524,3.145296085876073,2.7893974944452897,2.6191819138397165,2.6191819138397157,2.3390343831345497,1.896369363909353,1.9765406234336795,1.945239432965848,1.4302865800908964,1.2206027764517693,1.0822503020169478,1.0822503020169478,0.8237398590407692,0.7577469612169375,3.7996683771773645,3.765904889764108,3.0682194515563577,2.8127613280366432,2.6458150318986853,2.645815031898684,2.2887790320269694,1.9586923261548173,1.957608554244254,1.914328270536243,1.4332599376821011,1.1473350405137834,1.007167592188802,1.0071675921888008,0.7513657818773272,0.6443417275437221,3.8650227029327398,3.81888493329662,3.2614364744315583,2.925669796985599,2.77182021547979,2.771820215479789,2.4907544323393944,2.230242827641198,1.862354461679116,1.829841797798804,1.192076097950454,0.9502145366823408,0.7986202314843528,0.7986202314843525,0.47108492962934856,0.2830178448305145,3.8049824014902383,3.774582063219471,3.059148706262362,2.8305133764854937,2.665925019264036,2.665925019264032,2.289776764919242,2.0046561368596203,1.945831456826002,1.8952605632692272,1.4328061043795657,1.1021351904684824,0.9602789912487921,0.9602789912487909,0.7087680700166595,0.569676821254601,3.888375392080719,3.8458684503186364,3.2923718136558797,2.9866938560706897,2.838078587645888,2.8380785876458865,2.5534132573162958,2.3577700577345366,1.83979627839779,1.805173751865781,1.1555751188526056,0.8954744575316606,0.7385642758080623,0.7385642758080619,0.40622051272769,0.16238122947004122,3.8524157062922924,3.8073836675882786,3.2745623434870232,2.8140430188495604,2.740715256527663,2.740715256527662,2.477508289302946,2.0030889752509218,1.9018606589021891,1.8620845140849203,1.3036497833890173,1.1065132672370295,0.873250272513339,0.8732502725133335,0.6035187470731076,0.5143437621402268,0,0,0,10,2,2,0,0,0,0.0,0.0,0.0,0.20412414523193154,0.14433756729740646,0.0,0.0,0.0,0.06415002990995841,0.045360921162651446,0.4082482904638631,0.0,0.0,0.0,0.23570226039551587,0.0,0.0,0.0,0.8660254037844387,1.2247448713915892,1.27255166857701,0.36839057184084634,0.4148547532506041,0.35818182556439143,10.347088693804372,7.449489742783179,5.938975349290673,4.674234614174768,3.646831001333975,2.782823076116512,1.3374299245754704,0.9082482904638629,0.6898059129202915,0.4655931089239487,0.312577649962667,0.21246520973521674,0.145873240053359,0.09938653843273257,0.06687149622877352,0.04541241452319315,8.595964544733219,5.105824255422091,3.463996399133722,2.223106802720242,1.4352045287847548,0.9070800245202513,0.36952205585505427,0.20024908839744643,0.5730643029822146,0.31911401596388067,0.1823155999544064,0.10105030921455645,0.057408181151390195,0.03239571516143754,0.018476102792752712,0.010012454419872321,18.50759373091796,28.5455207574654,27.427450980392162,27.719999999999988,20.070120958083844,216.55116886227546,0.6381928872730331,0.9843283019815655,0.9457741717376608,0.9558620689655168,0.6920731364856498,7.46728168490605,2.7244000000000015,59.86500000000004,99.99346304048785,147.98535927157033,199.9869260809757,13.332461738731713,99.99346304048785,6.661338147750939E-16,4.4408920985006264E-17,-52.41756165067357,2000064.8303762581,133337.65535841722,21.76303522978048,252,0.0,0.0,1.0,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.605740740740741,22.874945200302346,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.577573696145124,0.0,0.0,0.0,0.0,4.577573696145124,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3526473922902493,0.0,0.0,20.442665343915344,0.0,0.0,0.0,0.0,2.432279856387,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.605740740740741,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.605740740740741,1.2161399281935,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45573129251700684,0.0,0.0,0.0,0.0,0.45573129251700684,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6763236961451247,0.0,0.0,2.014579081632653,0.0,0.0,0.0,0.0,1.2161399281935,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.605740740740741,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.605740740740741,2.074398148148148,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4590972222222222,0.0,0.0,0.0,0.0,0.4590972222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6763236961451248,0.0,0.0,2.074398148148148,0.0,0.0,0.0,0.0,1.2161399281935,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.605740740740741,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,29.833333333333336,1.9888888888888892,0.6639214852607711,5.605740740740741,-0.015833333333333588,0.6763236961451247,7.250788952191988,0.8236763038548753,2.1057407407407407,5.09681216931217,0.8236763038548753,2.1057407407407407,5.09681216931217,7.33333,0.48889,0.0,0.01111,0.53333,0.75111,0.43953,0.46504,0.75111,0.0938,0.06829,-0.02551,0.0,0.65089,0.0634,0.0,0.0,0.13636,0.0,20.5,1.36667,8.5,0.56667,12.0,0.8,3.5,0.23333,0.0,0.0,7.79465,0.51964,18.96093,11.16628,0.74442,3.02496,0.20166,7.44948,4.42451,0.29497,-0.03548,-0.00237,0.13652,0.0091,0.5172413793103449,46.01,1,1,1,1,0,0,0.14285714285714285,1.1819141738305752,2.153202998653529,2.4880135484654837,3.1507473742887124,3.4786706502999865,3.4786706502999865,34.27551104108668,62.44288696095234,72.15239290549903,91.37167385437266,100.88144885869961,100.88144885869961,0.2432932889231152,0.44323001691713804,0.5121497080702654,0.6485713668803623,0.7160733345373318,0.7160733345373318,3.6760668212969976,2.7047779964740437,2.369967446662089,1.7072336208388603,1.3793103448275863,1.3793103448275863,0.228613408028326,0.4164863122874753,0.4812475128307228,0.6094377333152247,0.672866753256479,0.672866753256479,9.2769666585644,16.352225235257205,20.369951833000663,24.64246159821412,24.972950884353725,24.97295088435373,51.04561449010403,46.379712476459716,40.990279034387555,32.74040691556171,31.515134713592737,31.515134713592737,11.484375,6.554016620498615,4.1652892561983474,3,6,0,2.89,1.6646999999999994,0.0,0.0,0.0,0.0,17.77033961866126,8.588308853751634,0.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.39199999999999996,0.41,1.1640000000000001,1.302,7.426,19.0,22.0,25.0,28.0,20.0,20.0,20.0,20.0,20.0,225.0,3.1354942159291497,3.6109179126442243,4.069026754237811,4.513602992462601,4.94787297235994,4.420345498976018,4.523146350509501,4.721841492791785,5.029620594007336,5.432902890880455,6.9333621076959115,4.5552777777777775,0.5,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.25,4.0,0.25,0,5.0,10.0,1.0,1.5,0.666666666666667,0.25,0.1422222222222222,0.18055555555555555,0.12081632653061221,0.0069444444444444475,0.032249937011841784,0.022499999999999992,0.0,0.09375,0.03508771929824563,0.015625,0.012929292929292928,0.018055555555555554,0.012081632653061222,6.944444444444448E-4,0.004031242126480223,0.005624999999999998,0.0,0.19787988700708,59.71121214923437,94.51145261769359,119.42242429846878,7.961494953231252,59.71121214923437,1.1102230246251565E-15,7.401486830834377E-17,-51.65132321502459,2000058.0610498148,133337.20406998767,21.763030152941624,9.23,197.15880055709476,4.906890595608519,4.2626798770413155,5.030437921392435,5.814130531825066,6.591673732008658,7.3796321526095525,8.159660737063376,8.94884572927805,9.729669736233394,10.519294620121293,97.43602503757313,3.4965075614664802,0.0,4.6913478822291435,0.0,6.089044875446846,0.0,7.566828479208331,0.0,9.077151777732437,9.33078652505205,198.104465068,6.831188450620689,30.58931528512519,2.0392876856750126,3.0540816237971966,3.0540816237971966,0.0,436.0,16.0,2.2040000000000006,70.0,1.25063605499085,2.2072379649939387,3.039675570456527,3.855016527864308,4.897392646440512,5.536762497593432,6.489615505150058,7.156382488151025,8.006945245425552,8.943252152184417,116.78521735169596,152.90779038183564,155.46645053363133,151.55164275328542,214.37908902426787,253.52258784991324,317.33165806834205,309.62745682387487,232.97241929420187,132.3355234930306,359.2305525186726,514.0458445690253,557.563690165583,546.0653211247198,773.9990680334317,974.8833913172833,1219.7453635799964,1255.38231341202,1114.5394013073194,846.5280085259678,9.445533564968716,16.70524864732067,22.39582399297992,28.53241869292811,36.47811183952514,40.17254258463161,46.43374512083522,51.10384579229602,56.657440189864076,62.24652193068152,2.488935029804649,3.712531744218922,4.278220902944924,4.297969684094381,5.945241973471999,7.577668641930812,9.496444002456421,10.002280983255757,9.524375215258681,8.106030853176994,174.6245872045887,324.029322441559,459.13909049685014,620.3689306774332,782.9546097016373,863.2426575349349,988.5206454331912,1095.8122329726136,1261.4482577595336,1485.4462665477029,3.739679185196508,6.080162754120644,7.358799597336571,8.529170495161464,11.062650716362604,11.912346925928599,14.687099366994058,16.282433857412496,16.3144614006256,14.85213117444836,0.5295552809323532,0.8024889406476572,0.9405548254807317,0.988817456186039,1.3373404491016265,1.6104737837877494,1.981815778293287,2.0956754656329895,2.0200985304839003,1.7536730464500256,329.1785653373226,333.3174136585353,20.565486282673785,188.8396863294186,-191.21401716697457,-14.445441943286013,140.33887900790398,524.5314308255099,35.0109282259598,0.6354574655973596,0.643447238752834,0.0397003121347629,0.36454253440264034,-0.3691260231695254,-0.0278859709996845,170.52050490220597,172.66450387347442,10.653297248827023,97.82240415766124,-99.0523508670104,-7.483002580014433,0.07169229512764523,0.36675716920481494,0.8635217586862619,4.1257069741576995,506.76910012840085,11.249151538340358,0.9782842563902994,0.02171574360970069,1269.7175620452506,35.6330964420053,10.828518483665844,1407.4591901263327,37.5161190706919,11.206722128876542,2287.4474978701214,47.82726730506481,13.176003805710257,2.513788993828812,2.513788993828812,2161.345649472543,1992.0910590895949,292.6077064560766,1.0849632799719,7.386495986895626,6.808060810211874,5.853190087281465,5.966487240756214,11.009931535016724,0.8452954126524347,4.721397252378487,3.9619350638484714,9.824359581525309,13.90855267291326,6.878848025825474,8.107021664439836,4.979123666387964,12.623125089957945,9.261037700384446,8.943217591268981,6.368980383606031,10.464644481246383,9.74744433242841,4.161293316464547,4.58321016258407,4.395925996535366,4.446987587884704,2.921684674529635,2.90295938282613,0.8608252345130469,0.9908180174413505,3.712576039087207E-11,2.684789867635515E-43,3.744735498836282E-97,1.0074138100952634E-172,5.2272173340036295E-270,0.0,0.0,0.0,0.0,0.39642312593365814,4.2160111153314705,0.8510271750570932,5.870360098895583,2.619422206630642,2.819923121675417,0.4236081360976522,4.707739091024462,1.4419349901608964,1.6978686287197609,1.7709910324230203,2.8316488991528095,3.4766928596050017,1.0787317416813957,0.9185299365076816,0.7248056826919035,1.4583287153521367,0.1843812249143867,0.1719736334073045,0.006062862606749177,0.006978412311357225,2.6147976603129924E-13,1.8909194560366207E-45,2.6374478307670057E-99,7.095297835978454E-175,3.681571908830377E-272,0.0,0.0,0.0,0.0,1.279242444978293,3.7435403046934352,2.2124569127907514,6.3079351263287835,2.291679831121517,3.0032677419789984,1.2212477391589298,5.596820661328896,2.1090332098226527,2.491923789369948,2.5375892098555966,3.902141584656712,4.413053963468035,1.470668757060791,1.549508871465986,1.3664930764926246,1.8940806948604714,0.6352781487481569,0.6023651544968751,0.06317970211236199,0.0727204366685153,2.72482076400543E-12,1.9704838638465393E-44,2.748423987955833E-98,7.393847395428166E-174,3.8364817796874294E-271,0.0,0.0,0.0,0.0,4.4566254949638155,4.215041393062037,10.300200072924007,13.3467163816271,7.371612455251638,8.286855020887407,4.664418415999223,12.42469311241347,9.128474546014948,8.588837794969097,6.442005417167284,9.824873812451942,9.241987462731553,3.8886394716401624,4.317448963626102,4.133093790527726,4.202363524042592,2.7159569063781026,2.6908204572514367,0.7669797861124985,0.8828010153059931,3.3078384113063345E-11,2.3920994363348575E-43,3.336491910958561E-97,8.975875677775718E-173,4.657356536167998E-270,0.0,0.0,0.0,0.0,1.885270267569405,3.563997261279503,2.9845522391046737,6.983833165783978,2.384444365322634,3.349798067959085,1.8083718870198269,6.450882268418171,2.7322884973438493,3.1563323281883373,3.009584343960851,4.781769229256694,5.157868245514785,1.8101744322027433,2.0174137933426968,1.83895977639947,2.2449631590247066,0.9768261843983143,0.9355424503516641,0.13723475524615475,0.15795850583073112,5.918674808029537E-12,4.28015426138832E-44,5.969944164469032E-98,1.6060424557763058E-173,8.333351081603496E-271,0.0,0.0,0.0,0.0,5.701728169893332,4.122254674476739,12.969904398853243,17.327791277914056,8.865979923824701,10.219800610610953,6.225120647268786,14.95515133652145,12.487950474089363,11.84302165021046,7.812431681103061,13.02927010109117,11.756952627797453,5.266117202398792,5.614224593064961,5.412322383102293,5.4227312672661006,3.7267207457651623,3.7394516147762538,1.2554327025196963,1.4450149598025055,5.4144432392731486E-11,3.9155137011718205E-43,5.461344788920565E-97,1.4692183636895408E-172,7.623405219537525E-270,0.0,0.0,0.0,0.0,2.511428443424977,3.965997091357711,6.656176887312432,8.259181874202383,6.057490796189047,6.107674370271532,2.4777108932080987,8.7876780858169,5.251681748882344,4.588168808504443,4.695546832678846,6.040130742279097,6.263889782744039,2.3680562159346823,2.6458372057649084,2.5188510307191883,2.8827614960331345,1.4280243977167417,1.3776004785105684,0.24330968047560067,0.2800517517651886,1.0493485231453025E-11,7.588478331211421E-44,1.0584382983411633E-97,2.8474250296555752E-173,1.4774573589460665E-270,0.0,0.0,0.0,0.0,10.770349188307637,2.0896652177334007,0.6462755551115366,0.7974321015827308,0.1547179294790645,0.581923242598078,0.5189477411601655,0.405722643608319,13.506289961152575,30.817537030656162,58.86917870875251,0.6961481523740962,1.5065936273665625,9.744906582554691,1.1656135775415457,0.31575454130831726,0.8680445509974449,0.10382906249351909,0.4764386155945855,0.16175116145398197,0.09803783094061182,11.226274701404554,14.803841713086067,29.616707653568547,0.8020668264961673,0.7362276079891793,10.362064779204504,1.4687489011118249,0.4305558411101309,0.8450984827671195,0.11978669255055238,0.5386712779331089,0.25669127597424013,0.18176020066795848,12.26136952142646,20.313097192852002,39.12721285172337,0.7676477241506794,0.9771227545753075,10.616959308803265,2.04414552448065,0.6276824544008183,0.7989411734088362,0.15382483594835203,0.5654665145793863,0.4965888837979707,0.382568319650546,13.288787287684732,29.649763211865082,56.56089792004086,0.6984117601132542,1.4446237180279031,10.612902710376712,1.634615939162816,0.4914148822083677,0.8331076289806598,0.12831654510866516,0.5650554862482797,0.3178451648616142,0.23632962272208186,12.738933531747895,23.36663286567428,44.63064156844454,0.7496614434709897,1.1192302738319757,10.794415454871316,2.1868873368953485,0.6790965488148484,0.7901976498449719,0.16008956124720833,0.5845242793599217,0.5682654820679988,0.4474010780274643,13.660399340581515,32.421728392454824,62.112996628213594,0.6852964747674579,1.6001908394553848,10.729655290849951,2.0524542510857966,0.6317201000154167,0.799895002191874,0.15301031143759541,0.5775328916222916,0.5006299359462261,0.38736603711870893,13.413829641951164,30.096842132629856,57.42249180197576,0.6998425032878111,1.4655288646872264 +UMLCN0067,L,benzaldehyde dimethyl acetal,COC(C1=CC=CC=C1)OC,Aromatics,Acetals,C9H12O2,Marquardt (2015),IQT,PubChem,,10.4,0,1.2363999999999993,1.5286849599999983,47.5448,25.44551599999998,6,6,23,11,12,0,9,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1822.5058589999985,1923.7898589999993,2351.2274770000004,2433.2529730000006,1989.309689999998,1320.526797999999,536.8490420000004,109.04947200000001,6.0963840000000005,4617.438602843841,5552.375716994815,7161.733090274316,7429.535862575362,6666.20990378287,5505.5949042669945,3530.6893041583617,1290.8978641353117,186.50246658558157,175.18964400000004,178.33073200000007,303.19872399999997,296.44867600000003,367.47635999999983,285.81152800000007,295.7116880000001,137.562624,40.310784,31.721862858187983,38.24219172000001,50.40569272709402,53.834766439396034,49.47695936818804,44.47686700339603,34.245528838678,14.243709338188005,2.6676774290939997,3731.063600705989,3338.404378844801,6035.409654089094,5915.987120900797,7741.832257145989,5969.2129411811975,7142.10637351218,3443.992205994188,1109.505912145494,69.05555555555556,71.55555555555554,112.25,107.33333333333334,123.99999999999999,95.33333333333334,69.0,28.0,6.0,79.23938517391298,83.64303734782605,61.874407289473695,62.39110187179489,42.32573808510634,34.75070521052629,12.782120047619056,5.4524736,1.016064,200.75820012364528,241.4076398693398,188.46666027037674,190.50091955321443,141.83425327197597,144.8840764280788,84.06403105138956,64.54489320676558,31.083744430930263,7.6169410434782625,7.753510086956525,7.978913789473683,7.601248102564104,7.818645957446805,7.521356000000002,7.040754476190479,6.8781312,6.718464,1.3792114286168689,1.6627039878260874,1.3264655980814215,1.3803786266511804,1.052701263152937,1.170443868510422,0.8153697342542381,0.7121854669094002,0.44461290484899996,162.2201565524343,145.1480164715131,158.82656984444984,151.69197745899478,164.71983525842532,157.08455108371572,170.05015175028998,172.1996102997094,184.917652024249,3.002415458937198,3.1111111111111107,2.9539473684210527,2.7521367521367526,2.6382978723404253,2.5087719298245617,1.6428571428571428,1.4,1.0,0.346682941494418,-0.12930141301177833,-0.06634099496073861,0.09823764470903278,-0.07325301038332425,-0.04015308646164262,-0.006912273083154792,0.024634168814476495,0.019747493629920433,815.4315438260874,43.02185043478212,-84.85107214744852,-32.469550313800056,-225.53461234026452,-593.1790555387522,161.02266962192914,135.50285945557718,188.7711389149341,1171.1552624790145,-97.88437532744021,266.1138823927022,-434.8027246216682,34.39584651482224,-902.7719290244186,194.29107369459066,88.50164415033237,266.578950981573,1.93347547826087,0.0025266086956536055,-0.1433048771266487,0.09609149338374352,-1.1064495425330754,-0.4645240075614363,0.23141173534971016,0.27777436672967454,0.1397364839319455,5.334530310959478,-1.0396740966956428,2.5245042846964294,-3.1295341908530196,0.9249463839501055,-3.6099369533033103,0.657068337284159,0.024530613777317134,0.9808304656642193,30.021631648011635,-6.719221741217416,16.02068901814065,-19.054433102028465,5.873003672200034,-19.023844912754722,3.291646598671545,-0.40248616143324145,5.003830804415837,12.70772946859904,-0.9661835748792281,-4.39272211720227,4.61877756773787,-4.506616257088852,-6.178954001260243,1.2873345935727785,1.8676748582230638,1.916824196597354,0.01507317136932252,-0.0056218005657294925,-0.0017458156568615425,0.0025189139668982765,-0.0015585746890068991,-0.0010566601700432267,-1.6457793055130458E-4,0.0012317084407238248,0.0032912489383200723,35.45354538374293,1.8705152362948747,-2.232922951248645,-0.8325525721487194,-4.798608773197118,-15.609975145756637,3.833873086236408,6.775142972778859,31.461856485822352,50.919794020826714,-4.255842405540879,7.00299690507111,-11.148787810812005,0.7318265215919625,-23.757156026958384,4.625977945109302,4.425082207516619,44.429825163595495,0.08406415122873348,1.0985255198493937E-4,-0.003771180977017071,0.0024638844457370132,-0.023541479628363306,-0.01222431598845885,0.005509803222612146,0.013888718336483728,0.02328941398865758,0.23193610047649904,-0.04520322159546273,0.06643432328148498,-0.08024446643212871,0.019679710296810756,-0.09499834087640291,0.015644484221051407,0.0012265306888658567,0.16347174427736988,1.305288332522245,-0.2921400757051051,0.42159707942475394,-0.4885752077443196,0.12495752494042625,-0.5006274977040717,0.07837253806360821,-0.020124308071662073,0.8339718007359728,0.5525099768956104,-0.04200798151648818,-0.11559795045269132,0.11843019404456076,-0.0958854522784862,-0.16260405266474323,0.030650823656494724,0.09338374291115319,0.31947069943289236,-0.37296733567105794,-0.11582271667226524,0.16711240821058163,-0.10340058178990577,-0.07010204715072642,-0.010918600108684475,0.0817152814457244,0.21835145754519483,0.05275961024627431,-0.06298165464355907,-0.023482914420470985,-0.13534919346592342,-0.44029376968641687,0.10813793217968024,0.19109916651341652,0.8874107270594453,-0.08357933270115342,0.1375299535227266,-0.21894801472001316,0.014372142222190411,-0.4665603324562049,0.0908483239978785,0.08690298719014289,0.8725452649204206,0.0013067704887192307,-0.04486075124646075,0.02930957381622676,-0.2800418404785693,-0.14541651595573987,0.06554284010577,0.16521570887801346,0.2770433490167348,-0.1948951521673227,0.28643373388187343,-0.3459766128139224,0.0848497075547099,-0.40958841974679416,0.06745169979537785,0.005288226741529334,0.7048137135250908,-0.22381267680574043,0.32299153292061544,-0.3743044318799909,0.09573174127663223,-0.3835378630380425,0.06004231870529844,-0.015417519309910102,0.6389176858146474,-0.07603117278084019,-0.2092232815454336,0.21434942172444535,-0.17354519608358585,-0.2943006632719415,0.05547560213973439,0.16901729709180768,0.5782170689982892,1.3750360893571658,1.6190964495514695,0.8877184681194651,1.5288553543639964,0.8978097009808113,0.39646349319404167,0.12934847052866655,0.002679698011411384,0.8893927900105417,1.1222706375310505,0.9542736214346585,1.1844917949433638,1.3618698179060267,0.7665143562781632,0.6532619980587978,0.0,1.1594853781420902,0.794124712209501,1.2425698508582723,0.8691356930510807,1.4350020441285074,0.8428442983303102,0.8457978637570517,0.0,0.8861476211704008,1.6367868632109468,0.7977383768688707,1.8074870196598967,1.0075171400481011,0.3569513912457512,0.053970376750710786,0.0,1.3529463124839405,0.6904439980695634,1.4096867968979974,0.802565485076349,1.3964416918715101,0.7923795504963437,0.8301137298325941,0.0,1.3993211830285186,0.6870729483702603,1.443306206963946,0.8126609942512016,1.3723258603355308,0.7630887319977048,0.8012361257109996,0.0,0.9534309066717351,1.5502606068488072,0.6325647361572089,1.4969203330812435,1.1984463630088333,0.5873815407174082,0.34624596084394593,0.0,44.62143282182571,22.56071641091286,33.334571283298715,45.03052373091663,4.093683975537875,22.560716411794665,0.5000000000000142,0.11405755080221258,0.010368868254746599,-2.3881573390112756,49.32575447776795,4.484159497978904,4.2882909826281335,44.639265575546034,22.568898366871714,33.34486346044023,45.04715470498027,4.095195882270934,22.56889836774606,0.4985311581973946,0.11444388081856888,0.010403989165324444,-2.384437769992403,49.315688107448,4.483244373404363,4.288066472379699,60.78776867308626,29.99488985848512,43.03884349625539,60.42504642030625,5.493186038209659,29.994889858485553,-0.797988956116022,0.4001115802277673,0.03637378002070612,-1.0076130022246343,51.444036252624606,4.676730568420418,4.33454399631476,44.657982650393066,22.57748612541547,33.355667171268564,45.06461050529678,4.096782773208798,22.577486126282047,0.49698960043787466,0.11484918080810258,0.010440834618918416,-2.380549030842189,49.30516376959397,4.482287615417634,4.287831699074398,78.32894569323497,38.08217858227833,54.15648960828854,77.345041816563,7.031367437869364,38.08217858227833,-2.1645885286783013,0.596984353704898,0.054271304882263456,-0.5674508115457244,67.84538312455874,6.167762102232612,4.63895447250249,46.49512322193,23.420695796843294,34.421702437517204,46.77843370791266,4.252584882537515,23.420695797204907,0.3462683717565902,0.1537075364418684,0.013973412403806219,-2.0599739558043377,48.46195125143145,4.405631931948314,4.26885687775189,49.181534702426866,24.741141132256637,38.429625993626665,49.5649566716734,4.505905151970309,24.741141132365723,0.759523809523813,0.10712278684324528,0.009738435167567753,-2.4571575180356358,42.549280164216015,3.8681163785650923,4.125729231213208,0,11.996268791219164,15.998260115764086,-0.3802722617242341,0.18316050685165874,4.765814425534772,8.600131266264041,11.0,23.0,20.0,17.0,5.0,3.0,0.0,0.0,0.0,6.0,16.950484,3.7961022211223034,3.264271882784507,2.7923952454984824,2.619181913839715,2.602973131555992,2.0035924467796127,1.018637611975961,0.9414285011440497,1.956488770057642,1.5110004148743468,1.395080813514743,1.130331942145696,1.0822503020169476,0.7045174150467328,0.310513971929434,0.2316975056583779,3.7893634605043505,3.127365670990906,2.722087808544796,2.6458150318986853,2.6170087113624443,2.0152311324939496,1.053336622690149,0.8863067155157415,1.9406193520556498,1.538477305105651,1.3437503513678881,1.057571717344049,1.007167592188801,0.6346979982962506,0.1501562586141573,0.06427718266959498,3.8546061323684757,3.3707255950974107,3.028314638023166,2.7871884548522607,2.7718202154797886,2.2888694246298025,1.5177937868953864,1.3939048417513025,1.8480449009383202,1.246573638303921,0.9860628823586558,0.8176959952594893,0.7986202314843528,0.2815971960205359,0.39684308271442115,0.5175607627850703,3.793598370347448,3.0980693056538504,2.7309409087256347,2.665925019264036,2.6385515861524476,2.037738733349945,1.1348113653661844,0.9719836260754179,1.932304736794256,1.552465912370805,1.311588059716208,1.007003603285825,0.9602789912487932,0.5870394517779676,0.04190290236346247,0.04909023157971949,3.875065637288364,3.3898842168217747,3.1067444809930986,2.8663951029927306,2.8380785876458865,2.384483235153456,1.7214642273785614,1.6107943701892795,1.8272172577004704,1.2188063281638803,0.8986643157747214,0.7419400877764395,0.7385642758080588,0.19007356748173856,0.5943111067077894,0.7304844895228894,3.8462850056980136,3.454536319154382,3.065942601662218,2.7366278109584328,2.690185393460985,2.159093889752812,1.4846078406808028,1.240457652167093,1.885703351655535,1.3119507108145232,1.1093739717547837,0.9736337546518666,0.8769672294410336,0.4801453700236904,0.07635235455080548,0.1699690652725903,0,0,0,5,1,1,0,0,0,0.0,0.0,0.0,0.10206207261596577,0.05892556509887897,0.0,0.0,0.0,0.032075014954979206,0.018518518518518517,0.3333333333333333,0.0,0.08333333333333333,0.0,0.14433756729740643,0.0,0.016037507477489603,0.0,1.040440114519881,1.623773447853214,1.5404401145198805,0.3414591316634429,0.4568129558206383,0.35043627838924407,8.104448006685086,5.3805400575618805,3.9746663326688623,3.3652513709083833,2.5609131142316963,1.5837769564868263,0.686886723926607,0.4023689270621825,0.7367680006077351,0.48914000523289825,0.3057435640514509,0.21032821068177396,0.15064194789598215,0.09898605978042664,0.0686886723926607,0.050296115882772816,6.7805981960654815,3.4872598388365303,2.2140154285744447,1.4998903685131477,0.9785643309033709,0.5044568022288138,0.18013715945023231,0.08261889419632672,0.6164180178241346,0.31702362171241183,0.17030887912111112,0.09374314803207173,0.05756260770019829,0.031528550139300865,0.018013715945023233,0.01032736177454084,13.680565031548955,22.988346686088853,22.05098039215687,22.359999999999996,14.751805988023946,174.70665628742518,0.5948071752847371,0.9994933341777762,0.9587382779198639,0.9721739130434781,0.6413828690445194,7.595941577714138,1.6368999999999998,42.423000000000016,47.41781303351389,68.40722267924427,94.83562606702777,8.62142055154798,47.41781303351389,0.2851260563094544,0.025920550573586765,-1.3803062830264,42.994377675279964,3.908579788661815,4.137176290947847,101,0.0,0.0,2.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,5.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.126574074074075,10.860740740740741,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4243792517006804,0.0,0.0,0.0,0.0,2.4243792517006804,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.252314814814815,0.0,0.0,0.0,0.0,9.82138888888889,-0.23962962962962986,0.0,0.0,0.0,1.039351851851852,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.126574074074075,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.063287037037037,1.039351851851852,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4714625850340136,0.0,0.0,0.0,0.0,0.4714625850340136,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6261574074074074,0.0,0.0,0.0,0.0,1.9587037037037036,-0.23962962962962986,0.0,0.0,0.0,1.039351851851852,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.063287037037037,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.063287037037037,1.9699074074074074,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4959722222222222,0.0,0.0,0.0,0.0,0.4959722222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6261574074074074,0.0,0.0,0.0,0.0,1.9699074074074074,0.0,0.0,0.0,0.0,1.039351851851852,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.063287037037037,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.0,2.1818181818181817,0.8593055555555555,5.063287037037037,0.1795833333333332,-0.23962962962962986,4.447623055555557,1.5729629629629631,1.5632870370370373,6.253148148148148,1.5729629629629631,1.5632870370370373,6.253148148148148,5.16666,0.4697,0.0,0.0303,0.55797,0.83939,0.43333,0.5046,0.83939,0.12464,0.05337,-0.07126,0.0,0.55957,0.15472,0.0,0.19355,0.19355,0.0,12.5,1.13636,6.5,0.59091,6.0,0.54545,-0.5,-0.04545,0.0,0.0,6.01061,0.54642,13.25772,7.24711,0.65883,2.40548,0.21868,5.38053,2.97505,0.27046,0.03347,0.00304,0.11947,0.01086,0.2608695652173913,11.02,2,2,2,2,0,0,0.3333333333333333,1.3257847812033308,2.4857025906971497,2.876853130799308,3.2946635862096043,3.501397825434103,3.501397825434103,30.49304996767661,57.17115958603444,66.16762200838409,75.7772624828209,80.53214998498437,80.53214998498437,0.2930842539755901,0.5495011707242815,0.6359707590491216,0.7283339143389153,0.774035563002682,0.774035563002682,3.197777174853682,2.0378593653598633,1.6467088252577051,1.2288983698474087,1.02216413062291,1.02216413062291,0.2820554800621176,0.5288234164781893,0.61203915023019,0.7009266757520639,0.7449085692814329,0.7449085692814329,11.75053324793567,20.049952795538317,22.764350801031274,25.457889566057144,25.66624150731908,25.66624150731908,39.381733221953574,31.347055799240728,27.13939388794654,23.149852192898695,22.58999526986166,22.58999526986166,9.090909090909092,4.792899408284024,2.5,5,6,0,2.23,1.2565000000000004,0.25,2.10842303171375,1.6329931618554518,0.0,6.083643418932058,4.74510280626355,0.0,1.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.573,0.5960000000000001,0.884,0.677,4.909999999999999,13.0,16.0,17.0,16.0,10.0,8.0,4.0,0.0,0.0,106.0,2.70805020110221,3.1135153092103742,3.5765502691400166,3.991296186322654,4.371818458081358,3.9107722235264935,3.944006051281197,3.446011397451948,0.0,0.0,5.839187111662404,3.231132075471698,0.5,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.2727272727272727,5.0,0.45454545454545453,0,3.0,6.0,1.0,1.5,1.1111111111111116,0.5625,0.19111111111111118,0.18055555555555555,0.08,0.0,0.0,0.0,0.0,0.13636363636363635,0.08547008547008551,0.04326923076923077,0.019111111111111117,0.03009259259259259,0.04,0.0,0.0,0.0,0.0,0.35430665630665636,29.703012871015897,43.21571787727947,59.40602574203181,5.400547794730166,29.703012871016504,0.03421152427529567,0.0031101385704814244,-3.7127119970163704,71.74190704613059,6.521991549648235,4.70038255994547,18.46,150.63493893152238,4.459431618637298,3.8918202981106265,4.672828834461906,5.4680601411351315,6.267200548541362,7.0707241072602764,7.87359778968554,8.678801706612651,9.482426456803408,10.287967334235157,85.69342721684606,3.1354942159291497,0.0,4.31748811353631,0.0,5.739792912179234,0.0,7.257707677160043,0.0,8.816260208734581,9.056956065076825,152.083729624,6.612336070608696,21.54016543222147,1.958196857474679,5.502466819561134,5.502466819561134,0.0,158.0,13.0,1.162,48.0,1.2386653800417833,2.1378128426744403,2.9853809518044025,3.687078841230681,4.582801869747277,5.006662371326462,6.640608759728339,7.504700947272441,0.0,0.0,113.97595265511971,143.42834531440704,194.93333068287038,173.3724923523279,174.84469697884668,76.02916193910258,36.094750829452046,7.625256463289426,0.0,0.0,316.6427496348561,427.42952195346294,588.7616306486922,560.2506330715853,692.0717082711236,474.50234777832225,427.76514459698836,233.27420627557683,0.0,0.0,9.703660555112021,17.121044280628407,22.774691722625118,28.827791759521055,34.68943737211558,35.56560477508286,45.67091165401309,50.4200631450158,0.0,0.0,2.132572063866356,2.971840232935151,4.229956476448776,4.100329669276441,5.470923215608362,4.457365415161713,4.722530111549282,3.3366868881898415,0.0,0.0,178.74909547409828,336.08192818654834,450.0257513222589,599.5513751346765,720.5058583589089,836.4180594907514,1143.8341627033117,1387.7516783137771,0.0,0.0,4.019022740054273,6.502682996608017,8.3971332233731,10.0185313782166,11.81601209851992,8.86584132099434,9.28666446482892,7.504700947272441,0.0,0.0,0.4902005806213294,0.6977099652535361,0.9817423127099237,1.0018731883022647,1.2580651053446674,0.9890099611713733,1.0440956020180217,0.7684813770006981,0.0,0.0,280.0471651029083,278.97222961234223,15.793445558436842,92.08129149888539,-91.72784586335132,-13.217326561572966,187.96587360402293,370.70007547569355,29.010772120009808,0.7525550925619764,0.7496664785054697,0.04244084341912355,0.24744490743802347,-0.24649511273873692,-0.035518182840063015,104.21351932545299,103.81350524040214,5.8771905200855565,34.26606888738009,-34.134541708536155,-4.918543333760041,0.18381488125727982,0.35274976135936187,0.0,6.067731277137964,345.5861547442413,26.542301857552445,0.9286743558933072,0.07132564410669287,931.3591120115991,30.518176747826846,9.765752705785555,1048.6651064610787,32.383099086731626,10.159654500507385,1679.608868748118,40.98303147338076,11.886921272955217,2.1891623837268464,2.1891623837268464,820.2300908007438,714.9373592217418,206.62117998415488,1.1472754643758167,3.9697290029204395,3.4601358838264695,4.521767996240785,4.326787778134291,7.962030769522274,0.8401713182603789,3.7552183192705475,3.9244578632204545,10.942706678251817,9.076159068704825,10.828956996220716,7.621407486651289,7.117362738516299,9.650870898077976,4.573199877777056,4.183128930030731,4.650694532116924,4.901255156649353,4.212013770626759,1.8887166318779038,0.8829203318130847,2.6980166126244887E-13,1.6217195369397173E-47,1.8801079375078576E-103,4.204029182209355E-181,1.8131117230221136E-280,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3152595384221425,3.9157271040832757,1.0661085284728307,3.8496361068264227,2.4881586545222865,2.3018921351358306,1.7626823799957143,3.2305131912174057,0.9245851511136991,1.542073304067047,1.0106366262305932,0.2894780689447022,0.12727366570166082,0.013515303616819328,0.00621848008919231,1.9002351606812125E-15,1.142190329902691E-49,1.324175393142959E-105,2.960932127394563E-183,1.276989411484191E-282,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0174282522336822,3.0053243045855744,2.3570233140957497,3.7460182980936914,2.9813866193715945,2.6877976758699393,2.315277351602184,3.666245099341101,1.1556284915569828,1.8558936844832787,1.565771976361924,1.0147107717525303,0.5599120878199593,0.1391681422564468,0.06480135700273386,1.9801915463308073E-14,1.1902503870959272E-48,1.3798928541144142E-104,3.0855195658121136E-182,1.3307214231676693E-281,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.5446266266416493,4.373921199245415,12.357094392550978,9.169553604192688,11.206724200143,7.901591581745049,7.217422107970622,9.456955706482733,4.630140150410089,4.036056019593823,4.815095620774767,4.542466073874809,3.8200374080616006,1.682959122043229,0.7866661199517733,2.403884227991768E-13,1.4449229107167416E-47,1.6751423237164132E-103,3.745714313930637E-181,1.6154499027788075E-280,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4994451339528072,2.6910199013940876,2.8816156980736785,3.992667842312768,3.5084414776376045,3.0230326666492275,2.7530176340153227,4.251118910033003,1.4258661285693466,2.1143001384445848,1.8876063882720897,1.5767335555113158,0.9760127935925936,0.3017678595071783,0.14075720659674373,4.3012406449490224E-14,2.585382889917684E-48,2.9973116695651716E-104,6.702160804518151E-182,2.890504750936346E-281,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.534945118452445,4.483720400446152,15.00817550950062,11.581590393237594,14.29583442080577,9.842285291318992,9.135271279784341,11.943565012972625,6.009335707993831,5.19161448042799,5.914154835490377,6.316503537263451,5.824455661634792,2.7538212237580333,1.2876563257078837,3.93480366566794E-13,2.3651255328737466E-47,2.741960731354083E-103,6.131181460977421E-181,2.644253048936239E-280,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.052948340222563,4.187805218689954,8.673642500163039,6.3168344805359675,7.1883679559724065,5.58949574759949,5.041897350826451,6.757920414610333,3.148754270028049,2.843107697263452,3.4180330190340746,2.3031077578022274,1.536373904235127,0.530139707394373,0.24746209991993035,7.561915073445798E-14,4.5453038924608E-48,5.269506676060086E-104,1.1782919161209612E-181,5.081731818850907E-281,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.016156414460123,1.6199089767309132,0.6720665347845003,0.72412865708722,0.1949787258031178,0.5977798573875898,0.5191249971671433,0.4028115400124254,8.308131925975536,14.877569788046825,29.73541066210075,0.5861929856308299,1.5197163945671586,4.431699028139233,1.0257477912631616,0.35310120666912376,0.7626989757686388,0.17653202187826408,0.3244476300028029,0.21108637261863622,0.12134427787615139,5.810548026071519,6.472836546920475,13.88851397667298,0.6440484636529582,0.6568782804975906,5.200498171048583,1.2121161353232273,0.46118244258448426,0.7565685109671328,0.17633866400068823,0.4465865492297528,0.2914513698349943,0.1962279929153258,6.873796748956295,9.26099287401168,19.04190283983095,0.6348527664506994,0.9342659119800729,5.843293097515912,1.5882167442466653,0.6556198802789427,0.7225422737550484,0.1963881870125035,0.5638180695563093,0.49973332522753533,0.391319089794459,8.087129722041519,14.152661531763899,28.324216440681706,0.5838134106325726,1.4548704845783036,5.563325153607046,1.3246227096837426,0.5197100409854546,0.7510234983172599,0.17881801870454536,0.5111960024852155,0.3471075621735225,0.24031786340502728,7.407657904276244,10.94904250615922,22.186603170194104,0.6265352474758898,1.0986214280637654,6.095130423743873,1.6770349789675132,0.7015566927779667,0.7192978900014164,0.19791007541540873,0.6135641912238823,0.5564328624948013,0.4397325134275487,8.473722095489354,15.674361577637091,31.319218638129392,0.5789468350021247,1.6097295671462324,5.938058303156903,1.5973586183119481,0.6600237226949806,0.7245563186874565,0.19490820416708957,0.5823135861088711,0.505071500276099,0.3919452648146392,8.195440644163831,14.458762535153122,28.914665874374645,0.5868344780311847,1.4793303511996094 +UMLCN0068,L,"2,6-dimethylnaphthalene",CC1=CC2=C(C=C1)C=C(C=C2)C,Aromatics,,C12H12,NREL (2014),"20% Blend, CFR",PubChem,,-7,0,2.8406000000000002,8.069008360000002,57.71679999999999,29.121515999999986,10,11,24,12,12,0,12,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1743.3622199999984,2020.7186289999993,2820.778146000001,2697.684880000003,1822.1108739999975,1144.1334299999983,514.5843379999998,230.11548100000002,72.642528,5455.207754163118,6882.559119187508,9875.06579274286,10510.009640707738,8174.607419503732,5438.311903818546,3160.9628536154396,1516.0252775745341,688.4196982231118,171.10776000000004,183.43829200000005,304.15744799999993,361.8494080000002,396.42954399999996,282.45256800000016,196.94612000000012,137.58633999999998,42.705792,38.80215485818802,49.61823172,72.91167500909394,81.14504372969793,68.40913577758401,46.566729678188054,29.178500818792003,15.250133623037005,6.68126586,3740.5440973709888,3485.7972017248003,6148.010180597695,7298.4665283013,8820.302424674986,6348.474010514789,4489.135787206193,3449.4591186826374,918.7352862774,55.111111111111114,68.11111111111111,101.55555555555559,120.88888888888889,108.66666666666666,75.44444444444444,50.66666666666667,27.0,12.0,72.64009249999994,80.82874515999997,67.16138442857145,53.95369760000006,32.537694178571385,28.603335749999957,18.378012071428564,11.505774050000001,12.107088,227.30032309012992,275.3023647675003,235.12061411292524,210.20019281415478,145.97513249113806,135.95779759546366,112.8915304862657,75.8012638787267,114.73661637051863,7.129490000000001,7.337531680000001,7.241843999999999,7.2369881600000046,7.079098999999999,7.0613142000000035,7.033790000000004,6.879316999999999,7.117632,1.6167564524245008,1.9847292687999998,1.7359922621212842,1.6229008745939586,1.2215917103140002,1.1641682419547013,1.0420893149568573,0.7625066811518503,1.11354431,155.85600405712452,139.431888068992,146.3811947761356,145.969330566026,157.50540044062475,158.71185026286975,160.3262781145069,172.47295593413187,153.1225477129,2.2962962962962963,2.7244444444444444,2.4179894179894186,2.417777777777778,1.9404761904761902,1.886111111111111,1.8095238095238098,1.35,2.0,0.05447779648093885,-0.0018137320857243323,-0.0014542438043625063,-0.02813122029379092,-0.005924736093133496,0.005131525277151156,-0.013250640419993714,0.017881112166599565,-0.006609277922979722,726.3960539999998,30.266502249999363,181.59901349999933,-423.7310315000004,-121.06600899999977,-121.06600899999971,-242.13201799999962,242.13201800000047,-181.59901349999998,1350.764480635336,56.28185335980612,337.69112015883434,-787.9459470372788,-225.12741343922264,-225.12741343922286,-450.25482687844533,450.254826878445,-337.691120158834,0.14229599999999978,0.00592900000000177,0.0355740000000016,-0.08300599999999797,-0.02371600000000077,-0.02371600000000077,-0.04743200000000076,0.04743199999999831,-0.03557399999999996,6.0385457090940005,0.2516060712122602,1.5096364272735094,-3.5224849969714906,-1.0064242848490066,-1.0064242848490057,-2.012848569698005,2.0128485696979905,-1.5096364272735001,32.80147613069396,1.3667281721121407,8.200369032673393,-19.134194409571606,-5.46691268844895,-5.4669126884489465,-10.93382537689794,10.933825376898088,-8.20036903267349,5.0370370370370345,-1.0617283950617302,2.370370370370369,-3.0123456790123497,-0.7901234567901254,0.012345679012346344,-2.617283950617286,2.2839506172839528,-1.4814814814814816,0.0022699081867057855,-7.25492834289733E-5,-3.462485248482158E-5,-5.626244058758184E-4,-1.0579885880595528E-4,1.2828813192877888E-4,-4.732371578569184E-4,8.940556083299782E-4,-0.0011015463204966205,30.26650224999999,1.2106600899999744,4.32378603571427,-8.47462063000001,-2.1618930178571385,-3.026650224999993,-8.647572071428558,12.106600900000023,-30.26650225,56.281853359805666,2.251274134392245,8.040264765686532,-15.758918940745575,-4.020132382843261,-5.628185335980572,-16.08052953137305,22.51274134392225,-56.281853359805666,0.005928999999999991,2.3716000000007078E-4,8.47000000000038E-4,-0.0016601199999999594,-4.2350000000001376E-4,-5.929000000000192E-4,-0.001694000000000027,0.0023715999999999156,-0.005928999999999993,0.25160607121225004,0.010064242848490407,0.03594372445889308,-0.07044969993942982,-0.017971862229446547,-0.025160607121225143,-0.0718874489177859,0.10064242848489953,-0.25160607121225004,1.3667281721122484,0.05466912688448563,0.19524688173031887,-0.3826838881914321,-0.09762344086515982,-0.13667281721122365,-0.3904937634606407,0.5466912688449044,-1.3667281721122484,0.20987654320987645,-0.04246913580246921,0.056437389770723066,-0.060246913580246995,-0.014109347442680812,3.086419753086586E-4,-0.0934744268077602,0.11419753086419764,-0.2469135802469136,-0.031961329473092374,-0.01525385594342961,-0.24786218630821785,-0.04660931196494619,0.056516881466892106,-0.20848295126143668,0.393873026920741,-0.48528232416979145,0.03999999999999917,0.14285714285714238,-0.28000000000000036,-0.0714285714285713,-0.0999999999999998,-0.2857142857142853,0.40000000000000085,-1.0000000000000002,0.04000000000000033,0.142857142857143,-0.2799999999999998,-0.07142857142857142,-0.10000000000000009,-0.28571428571428575,0.39999999999999974,-1.0,0.040000000000012,0.1428571428571495,-0.2799999999999936,-0.07142857142857387,-0.1000000000000034,-0.28571428571429075,0.3999999999999864,-1.0000000000000004,0.04000000000000161,0.1428571428571437,-0.27999999999999925,-0.07142857142857188,-0.10000000000000055,-0.28571428571428636,0.3999999999999981,-1.0,0.03999999999999685,0.14285714285714116,-0.28000000000000186,-0.07142857142857086,-0.09999999999999913,-0.2857142857142845,0.4000000000000037,-1.0,-0.202352941176471,0.26890756302521,-0.2870588235294123,-0.06722689075630273,0.0014705882352941976,-0.44537815126050473,0.5441176470588243,-1.1764705882352948,0.9653493800003342,0.9017244370083282,1.2727037163664592,1.0832708827984825,0.9893410946615836,1.2036852215758218,0.5328717947602704,0.9602030008020311,0.9200000000000005,0.8214285714285721,1.226666666666668,1.0267857142857153,1.0541666666666676,1.232142857142858,0.5750000000000002,1.9166666666666674,0.9199999999999999,0.8214285714285711,1.226666666666666,1.0267857142857135,1.0541666666666663,1.2321428571428565,0.575,1.9166666666666665,0.9200000000000003,0.8214285714285716,1.2266666666666668,1.0267857142857144,1.0541666666666667,1.2321428571428574,0.5750000000000002,1.9166666666666676,0.92,0.8214285714285714,1.2266666666666668,1.0267857142857144,1.054166666666667,1.2321428571428572,0.575,1.9166666666666665,0.92,0.8214285714285717,1.2266666666666668,1.0267857142857144,1.0541666666666671,1.2321428571428577,0.575,1.9166666666666667,1.197352941176471,0.6039915966386559,1.2886764705882359,1.0237657563025215,0.9386029411764711,1.4858193277310932,0.30441176470588255,2.2830882352941186,45.65063516607255,22.82531758303628,33.241549114076726,45.65063516607256,3.804219597172713,22.825317583820876,1.0658141036401503E-14,1.1102230246251565E-16,9.25185853854297E-18,-44.08416068361253,99.50089631382374,8.291741359485313,5.520199982763729,45.65063516607255,22.82531758303628,33.241549114076726,45.65063516607256,3.804219597172713,22.825317583820876,1.0658141036401503E-14,1.1102230246251565E-16,9.25185853854297E-18,-44.08416068361253,99.50089631382374,8.291741359485313,5.520199982763729,45.65063516607255,22.82531758303628,33.241549114076726,45.65063516607256,3.804219597172713,22.825317583820876,1.0658141036401503E-14,1.1102230246251565E-16,9.25185853854297E-18,-44.08416068361253,99.50089631382374,8.291741359485313,5.520199982763729,45.65063516607255,22.82531758303628,33.241549114076726,45.65063516607256,3.804219597172713,22.825317583820876,1.0658141036401503E-14,1.1102230246251565E-16,9.25185853854297E-18,-44.08416068361253,99.50089631382374,8.291741359485313,5.520199982763729,45.65063516607255,22.82531758303628,33.241549114076726,45.65063516607256,3.804219597172713,22.825317583820876,1.0658141036401503E-14,1.1102230246251565E-16,9.25185853854297E-18,-44.08416068361253,99.50089631382374,8.291741359485313,5.520199982763729,45.65063516607255,22.82531758303628,33.241549114076726,45.65063516607256,3.804219597172713,22.825317583820876,1.0658141036401503E-14,1.1102230246251565E-16,9.25185853854297E-18,-44.08416068361253,99.50089631382374,8.291741359485313,5.520199982763729,49.80210529741873,24.598379397471604,36.00383495792172,49.75766085297427,4.146471737747856,24.598379397606873,-0.088888888888917,0.004183729770015354,3.4864414750127953E-4,-6.571862568986067,88.41271070034436,7.367725891695364,5.3784188946124125,0,11.850000000000003,12.150141701565,-0.20602625796036236,0.09416517201869354,6.1146328125,9.338326696232219,13.0,25.0,20.0,14.0,2.0,5.0,0.0,0.0,0.0,11.0,13.118483999999997,4.000301478927784,3.4239056412526865,2.906439065186341,2.8369479405256195,2.307438019823196,2.251627358178343,1.8480070048143742,1.1072579607919668,2.1203732172365273,1.706933679441709,1.3900959678907083,1.2784658825443502,1.0184596041716916,0.8499528879506482,0.5802600115592929,0.3532003856335251,4.007357157452515,3.4393725200808176,2.925849353169699,2.8674901411035187,2.339863393699538,2.3131855820042957,1.9026315598240098,1.200619970576535,2.100055813704652,1.6574469639380105,1.3029314587992176,1.212874120928542,0.9263258428865202,0.7625760095890173,0.4775908478535812,0.19933140409457964,4.039717751305062,3.51286172309019,3.020391133852362,3.018403505172629,2.5688659061864336,2.4895608386446457,2.1298964215473397,1.6082200845611498,2.04649297404325,1.5287070080290868,1.0511828131225098,1.041201559420186,0.616473093747525,0.5207987490494093,0.17313471371408867,0.31393014926252927,4.01261851698043,3.451044913345732,2.940618609931902,2.8909621608350924,2.364155060127985,2.3578356140745447,1.9421391689506868,1.2698743218959725,2.087734088023983,1.6274762864505108,1.2473933721949546,1.1728089147543426,0.8644765078338928,0.7081302956223231,0.4123519259354078,0.0961698479529887,4.05646489757675,3.5522632733305994,3.099480527010666,3.0723521518681016,2.682841531737314,2.5666001006132513,2.2344815501016737,1.7951446774647162,2.031283452061021,1.4933391681551431,0.9949375963851117,0.9778984337170568,0.5067061043207787,0.45057221089013677,0.07412636076533466,0.492793900034369,3.995834445397262,3.4613655976947553,2.9781458058837726,2.906845220810036,2.433934839828735,2.418064037327468,1.9810115114532962,1.364568512698577,2.099559888411276,1.6023664273131517,1.1943647782269906,1.1131462308193103,0.7866330191605581,0.6396517108687035,0.3608027016015353,0.017047914124471923,0,0,0,6,4,2,0,0,0,0.0,0.0,0.0,0.13608276348795434,0.32853285321782966,0.0,0.0,0.0,0.048112522432468816,0.10366807798802438,0.9106836025229592,0.0,0.08333333333333333,0.0,0.5,0.0,0.027777777777777776,0.0,1.641138494713619,2.408503541574024,3.544448037405946,0.7311252243246881,0.9106836025229589,1.1415002990995835,8.55204176387779,5.75402019542349,5.356607800987051,4.137416897884292,3.3585483753306864,2.9123885502611357,1.6615187929350421,1.065754449156714,0.7126701469898159,0.44261693810949926,0.2975893222770584,0.18806440444928602,0.11994815626181023,0.08089968195169822,0.0553839597645014,0.039472387005804216,7.464101615137756,4.226067743425171,3.354059275497024,2.151246214685303,1.4845795480186363,1.0907405693998722,0.5328049994446687,0.2981896543694845,0.6220084679281463,0.3250821341096285,0.18633662641650134,0.09778391884933195,0.053020698143522726,0.030298349149996448,0.017760166648155624,0.011044061272943871,15.250966822715249,23.32702112163146,22.352941176470594,22.559999999999995,16.791326946107784,178.62569820359283,0.6354569509464687,0.9719592134013109,0.9313725490196081,0.9399999999999998,0.699638622754491,7.442737425149701,2.8958400000000015,51.22800000000004,85.51949315734457,102.90577359869123,171.03898631468914,14.253248859557429,85.51949315734457,0.0,0.0,0.0,88.04619703458717,7.337183086215597,5.373433971640477,130,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.418061224489797,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.5098611111111113,0.0,0.0,0.0,0.0,2.5098611111111113,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.248605442176871,0.0,0.0,0.0,0.0,13.099629629629629,0.0,0.0,0.0,0.0,2.6506538170823886,2.6677777777777782,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3253269085411943,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4152777777777778,0.0,0.0,0.0,0.0,0.4152777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1243027210884353,0.0,0.0,0.0,0.0,2.154537037037037,0.0,0.0,0.0,0.0,1.3253269085411943,1.3338888888888891,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.217037037037037,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.424375,0.0,0.0,0.0,0.0,0.424375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1243027210884353,0.0,0.0,0.0,0.0,2.217037037037037,0.0,0.0,0.0,0.0,1.3253269085411945,1.3338888888888891,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,22.666666666666668,1.888888888888889,0.424375,2.217037037037037,0.18239795918367346,1.3253269085411943,7.173355351473922,0.34133975812547235,0.217037037037037,2.6964701436129994,0.34133975812547235,0.217037037037037,2.6964701436129994,6.0,0.5,0.0,0.0,0.5,0.7,0.44118,0.44118,0.7,0.05882,0.05882,-0.0,0.0,0.71429,0.0,0.0,0.16667,0.33333,0.0,16.5,1.375,6.5,0.54167,10.0,0.83333,3.5,0.29167,0.0,0.0,6.82309,0.56859,15.12551,8.30241,0.69187,2.46659,0.20555,5.75399,3.28741,0.27395,0.16001,0.01333,0.33201,0.02767,0.4166666666666667,37.0,0,0,0,0,0,0,0.16666666666666666,1.0,2.396240625180289,2.792481250360578,3.188721875540867,3.0220552088742005,3.188721875540867,24.0,57.50977500432694,67.01955000865388,76.5293250129808,72.52932501298082,76.5293250129808,0.21810429198553152,0.5226303649819144,0.6090521459927657,0.695473927003617,0.659123211672695,0.695473927003617,3.584962500721157,2.188721875540868,1.792481250360579,1.39624062518029,1.5629072918469564,1.39624062518029,0.20280942413660785,0.4859801812855596,0.5663415142979035,0.6467028473102473,0.6129012766208127,0.6467028473102473,6.503912516,17.76271253416347,22.51760003632694,22.91694125707896,20.916941257078964,22.916941257078964,42.0,34.75488750216347,27.509775004326944,26.30225625468752,29.47218125612983,26.30225625468752,8.591715976331361,3.3950617283950617,1.859504132231405,0,10,0,2.7800000000000002,1.3671999999999997,0.14285714285714285,3.6811572658454588,2.746356191876157,0.0,5.99922880524203,12.589380761059777,0.0,2.525064635825322,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.189,0.17200000000000001,0.8710000000000001,1.4080000000000001,6.322,18.0,22.0,28.0,36.0,30.0,27.0,22.0,19.0,4.0,231.0,2.970414465569701,3.6506582412937387,4.259152536523347,4.887525596934148,5.517703868984534,5.694258094739718,5.961729948165103,6.207567748215406,6.450754248370391,5.04196235405471,7.817351779403158,10.745975378787879,0.42857142857142855,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,3.0,0.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.15384615384615385,0,4.0,7.0,0.75,3.0,1.333333333333334,0.625,0.8266666666666668,0.11111111111111113,0.12081632653061225,0.0,0.0,0.0,0.0,0.23076923076923078,0.07407407407407411,0.0390625,0.08266666666666668,0.01851851851851852,0.060408163265306125,0.0,0.0,0.0,0.0,0.5054991532937962,31.89826802218,47.109370573107995,63.79653604436001,5.316378003696668,31.898268022180087,9.43689570931383E-16,7.864079757761526E-17,-41.516081287417,97.92057371925986,8.160047809938321,5.500988013369506,0.0,156.41306330560028,4.584962500721156,4.143134726391533,4.962844630259907,5.82600010738045,6.668228248417403,7.532088143541722,8.382289428951436,9.24445190160495,10.0981081649171,10.958757311691734,92.81590266315624,3.295836866004329,0.0,4.59511985013459,0.0,6.102558594613569,0.0,7.708410667257367,0.0,9.362803915102651,9.578795654450447,156.093900384,6.503912516,24.360533964774664,2.0300444970645555,0.0,0.0,0.0,186.0,16.0,4.007999999999999,62.0,1.2527802950229154,2.2027897566209713,3.105177600102025,3.9264334242030485,5.131392114230868,6.131543505763552,7.032914047242402,8.295429944248804,8.706020205378055,0.0,110.50828701272161,159.71880394828298,177.70111212306557,142.5283009822605,155.59687653676013,116.91321569715276,86.28340151803143,100.43350033285537,8.84587371395725,0.0,366.5001366818315,548.5208696110348,678.0663951630266,621.4813845248922,720.348341963945,711.1662477227413,544.4670161353583,951.7895631417879,270.6157070744864,0.0,9.221906216865017,16.009370503409766,22.51478046821298,27.92984425719185,36.27572363305309,43.19876689791613,48.39143934809585,59.04381762494351,58.49108333310508,0.0,2.6036619653510087,4.0015391333642905,5.1829618942187805,5.1100945774139825,6.10470340208807,6.52637867569908,5.419939170286338,9.237328813421872,3.870808933187225,0.0,172.83521873041502,318.52043676306704,450.4123517467349,608.41687506176,811.58769883277,977.5480115787069,1212.5184263848957,1270.217367437257,1609.89681485418,0.0,3.5071174701392356,5.522798390994062,7.664328208820729,7.998498458170866,9.865216812311427,11.277630316260527,9.579601683851,16.590859888497608,8.706020205378055,0.0,0.5333253159503903,0.8244685211110392,1.0764878672448144,1.0765779997800387,1.2934577789081538,1.3994744965031358,1.18313138128264,1.9909031866197135,0.891496469030713,0.0,283.1622178435599,153.07338836511963,12.389943328249146,188.15728168142758,-101.71509769872863,-8.965769401715047,95.00493616213234,254.78848606384827,21.355712729964193,0.6007861294280012,0.324776268580851,0.026287780031881067,0.3992138705719987,-0.2158092287741982,-0.01902269991110291,133.45987479841213,72.14647279484224,5.839621888613346,88.68219583407256,-47.940308941499985,-4.225741947272782,0.11584483380501533,0.10774532539342913,1.8400365536992005,4.2796062682441,471.3194995249875,0.0,1.0,0.0,977.897526277197,31.2713531251399,9.925775523373947,1095.415833020282,33.09706683409093,10.308441356687235,1761.1437134078078,41.96598281236611,12.076236203271597,1.619253484354453,1.619253484354453,1010.4942931347773,837.5416519818394,179.69473336783733,1.2065003462737494,5.623394042752956,4.6609137412357065,4.635602660499622,4.716393941560403,8.942745667625127,0.8960981161523691,3.8369019006055045,4.605025808373617,4.358704140268062,15.29411056980834,0.232760171200685,7.006271920810601,8.501069547564587,7.567596188280177,6.642406730438635,4.430818838429406,6.87156969245617,2.5503007556587165,6.37254690973019,0.6051103527252514,0.326741603647846,2.7035464037308796,1.443767584972213,6.446843133439325E-14,5.5708579025455575E-49,9.285992137406033E-106,2.985834680709825E-184,1.851971800320956E-284,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3221376811072784,4.604903565678571,0.3411090350553005,7.943220799135139,0.0348421324554098,0.6976821117780173,1.3820879131620183,0.6341377799692796,2.693211204566447,0.5858490057499522,0.9739913743723189,0.6873990120266499,0.2821644539828153,0.004262427092104679,0.23794509842642866,0.05598446900292642,0.010168573151027668,4.540564331678072E-16,3.9236007710413665E-51,6.5402001895546316E-108,2.1029477793863576E-186,1.304358881666296E-286,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0395759904210553,4.6049120624040665,1.1172677644794953,8.847959570642901,0.07524031576571698,1.5426256931563305,2.831421308974408,2.024595979005668,3.214045032713549,1.0957970464394464,2.030195111915111,0.8390067067108926,1.0773324555269252,0.04441222279422692,0.2560678805199396,0.29333916013862843,0.10596437224481722,4.731618112958648E-15,4.0886945146346427E-50,6.815392849601044E-107,2.191433724246623E-185,1.3592425212946658E-285,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.6217305536325783,4.605012503312052,4.09721308361347,14.633343217214193,0.22064337876481543,6.463425766354321,8.063905384978538,7.134358414991755,6.299716781520012,4.0981847599249,6.45830191121203,2.3553663556201596,5.841207351769247,0.5391424944876662,0.3213046686994043,2.4342487355871474,1.2863709252792188,5.744021165880334E-14,4.9635340959912876E-49,8.273651813675017E-106,2.6603249449109925E-184,1.6500735320330245E-284,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5320748982281596,4.604922781152386,1.663116587970462,9.645920292549823,0.10297273108058272,2.2541217667532125,3.8274722979103615,2.986468092795922,3.6562870132486216,1.5274815961230914,2.7990766254783517,1.0109716336040573,1.7562134765857085,0.0964685913802879,0.2685093379611901,0.5462632169959836,0.23016877617746098,1.0277706811518118E-14,8.881190844246074E-50,1.4803943987296317E-106,4.7600868829620346E-185,2.9524563872463425E-285,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.633584548780502,4.605081680848756,5.344528652416976,17.97992676301051,0.27762364476437634,9.194038494495732,10.121219054702415,9.181645623618124,8.025823884496495,5.772830662268232,8.461008729791923,3.363898358033814,8.519812430629866,0.8824963096458431,0.3468731218016815,3.8223699723980116,2.105599335133482,9.402114825663548E-14,8.124572692874794E-49,1.354274682025999E-105,4.3545592683756654E-184,2.7009268195454144E-284,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.150849504378642,4.23549802323344,2.107250716420609,10.937590191092372,0.13661379795374157,2.9231217354466805,4.820106175097068,4.1090125433708256,4.353612253287549,2.141929789086154,3.842333929227625,1.1972920393095319,2.5261254365265584,0.1695988993995803,0.31197296867893665,0.8924229062961441,0.40465458263927073,1.8069006706179426E-14,1.5613823187065406E-49,2.6026483153283346E-106,8.368602392300894E-185,5.1906476064358975E-285,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.015200388869442,1.9746905797987513,0.1393639889864593,0.7912921949715932,0.19494924237310096,0.5547550056837425,0.44593370185044373,0.16667182287900414,10.129254957654652,17.219771758033176,29.55481592391736,0.6869382924573898,1.1673605304131902,5.343696373213995,1.1295502918804972,0.0215815235484785,0.8227617756783966,0.17391534603727604,0.24820880453638178,0.14796362848158937,0.003996917635388323,6.4948281886429715,6.175676323422469,12.800770022726804,0.7341426635175948,0.40016935065335946,6.2004759319938705,1.402386316503458,0.05941557726039881,0.8092209748842801,0.1830247282066903,0.33314485694216533,0.22703415991792042,0.03029435156690102,7.6622778257577275,9.147191052162993,17.326114808014506,0.7138314623264203,0.5904733684269867,7.923841618653449,1.9460062758426044,0.1353434034828414,0.791973025068907,0.19449965701662383,0.5422429151074742,0.43326232683870103,0.15719373534057002,10.005191297978895,16.755664324581485,28.8478299962385,0.6879595376033605,1.1326989772867453,6.656696218294806,1.5468500408760912,0.07953420106594322,0.80364983175649,0.18674816069960784,0.38352297665678875,0.2755355816930243,0.05428362903509725,8.28308046023684,10.949373314999708,20.051410350543264,0.7054747476347349,0.7133421873849102,8.313106671392246,2.0681536930837208,0.15247206813890957,0.7891890860691451,0.19633626602098206,0.5965537694641927,0.4884618512153882,0.19949941835514248,10.533732432614876,18.77563450109893,31.930786002482282,0.6837836291037176,1.2845150390347233,7.926092364920779,1.9473587469455826,0.13514087388816154,0.7919288123846174,0.1945687015433646,0.5425670362157287,0.43391279939844024,0.15672363389407906,10.008591985754522,16.769252107476735,28.86373608893881,0.6878932185769261,1.1332034695082478 +UMLCN0069,L,tert-butylbenzene,CC(C)(C)C1=CC=CC=C1,Aromatics,,C10H14,Creton (2011),Unknown,PubChem,,-1,0,2.7640000000000002,7.639696000000002,48.8625,26.93510199999998,6,6,24,10,14,0,10,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1456.8661059999984,1612.1404419999994,2258.8769419999994,2063.1460189999984,1416.6665589999964,755.7908430000001,163.57420800000003,9.144576,0.0,4670.341439526318,5841.481646680558,8388.986035408845,9257.748935416575,7485.049497090209,4760.641003129556,1936.3467962029677,279.75369987837234,0.0,169.46365600000004,175.052008,301.26840799999997,387.4071800000003,481.70258799999976,334.93162800000005,206.34393600000013,60.46617599999999,0.0,34.11358066788599,43.478620340000006,64.20345803364103,75.88457970939598,67.82517366031905,45.097565846980075,21.365564007281986,4.001516143641,0.0,3856.7906892394867,3411.6592288806005,6348.708260023342,8106.187885890099,11366.806684481622,7906.799801577482,5165.988308991283,1664.258868218241,0.0,50.34027777777778,60.25,89.25,117.16666666666671,117.66666666666666,81.25,42.0,9.0,0.0,60.7027544166666,67.17251841666665,53.78278433333332,38.20640775925923,20.53139940579705,15.745642562500002,5.452473600000001,1.016064,0.0,194.59755998026324,243.3950686116899,199.73776274782963,171.43979510030695,108.47897821869869,99.18002089853242,64.5448932067656,31.08374443093026,0.0,7.060985666666668,7.293833666666667,7.1730573333333325,7.174207037037043,6.981196927536229,6.977742250000001,6.878131200000004,6.718463999999999,0.0,1.4213991944952495,1.8116091808333337,1.5286537627057388,1.4052699946184442,0.9829735313089718,0.9395326218120849,0.7121854669093995,0.444612904849,0.0,160.6996120516453,142.15246787002502,151.15972047674623,150.1145904794463,164.73632876060321,164.72499586619753,172.19961029970943,184.917652024249,0.0,2.097511574074074,2.5104166666666665,2.125,2.169753086419754,1.7053140096618356,1.6927083333333333,1.4,1.0,0.0,0.053704507740933265,-0.00835090306126722,0.004587263339754635,-0.0232886397977809,-0.012619251395925837,-0.003266100789766677,0.0028545606948437337,0.013230817139675664,0.0,706.2183858333335,-6.394884621840902E-14,206.8210987083332,-610.3744620416662,27.744293729166817,-191.68784758333322,25.222085208333386,189.16563906250002,0.0,1313.2432450621316,2.1316282072803006E-13,384.5926646253389,-1135.017376089415,51.591698913154666,-356.4517379454362,46.90154446650454,351.76158349878534,0.0,0.13834333333333312,2.237793284010081E-15,0.0405148333333352,-0.1195681666666639,0.0054349166666646555,-0.03755033333333475,0.0049408333333312605,0.037056249999998764,0.0,5.870808328285838,1.3600232051658168E-14,1.7193081532837198,-5.074055769447027,0.23063889861121786,-1.5935051176775916,0.20967172601019488,1.572537945076555,0.0,31.890324015952487,-1.0791367799356522E-13,9.339309176100274,-27.562351470930476,1.252834157769661,-8.655945090044163,1.1389401434269737,8.542051075701611,0.0,5.194155092592591,-1.5830439814814814,3.1009114583333313,-3.442057291666668,0.015299479166662522,-1.613136574074078,-0.3173466435185216,1.2422960069444438,0.0,0.002237687822538886,-3.479542942194675E-4,1.092205557084437E-4,-4.3127110736631294E-4,-1.8288770139022952E-4,-6.804376645347244E-5,9.515202316145779E-5,0.001470090793297296,0.0,29.425766076388896,-2.6645352591003757E-15,4.924311874007934,-11.303230778549375,0.40209121346618576,-3.9934968246527753,0.8407361736111129,21.01840434027778,0.0,54.71846854425548,8.881784197001252E-15,9.156968205365212,-21.018840297952128,0.7477057813500676,-7.426077873863254,1.5633848155501513,39.084620388753926,0.0,0.005764305555555547,9.324138683375338E-17,9.646388888889334E-4,-0.002214225308641924,7.876690821253123E-5,-7.822986111111406E-4,1.6469444444437535E-4,0.004117361111110974,0.0,0.24461701367857658,5.66676335485757E-16,0.04093590841151714,-0.0939639957305005,0.003342592733495911,-0.03319802328494983,0.006989057533673163,0.17472643834183946,0.0,1.328763500664687,-4.496403249731884E-15,0.22236450419286366,-0.5104139161283422,0.01815701677927045,-0.18033218937592008,0.03796467144756579,0.9491167861890679,0.0,0.21642312885802462,-0.06596016589506172,0.07383122519841265,-0.06374180169753088,2.2173158212554378E-4,-0.03360701195987662,-0.010578221450617386,0.13803288966049376,0.0,-0.1554972461818547,0.04880955896007058,-0.19273068522891265,-0.08173065945486743,-0.030408069333044775,0.04252247440552189,0.65696867028991,0.0,-9.055109227006284E-17,0.16734693877551007,-0.38412698412698376,0.013664596273291996,-0.1357142857142856,0.028571428571428623,0.7142857142857142,0.0,1.623178505044928E-16,0.16734693877551038,-0.38412698412698454,0.013664596273291793,-0.1357142857142859,0.028571428571428477,0.7142857142857145,0.0,1.6175649596487614E-14,0.16734693877551818,-0.38412698412697577,0.013664596273286889,-0.13571428571429103,0.02857142857141663,0.7142857142856915,0.0,2.316585943733096E-15,0.1673469387755112,-0.3841269841269827,0.013664596273291245,-0.13571428571428631,0.028571428571426718,0.7142857142857104,0.0,-3.383900331008979E-15,0.16734693877550846,-0.3841269841269857,0.013664596273293004,-0.13571428571428443,0.028571428571431058,0.7142857142857186,0.0,-0.30477410729207294,0.3411429526409192,-0.29452398195086643,0.001024528123660025,-0.15528382819898653,-0.04887749986073248,0.6377917664754051,0.0,1.2394088880297403,0.8118938860543153,1.2300689074114073,0.8937405844514611,1.0981996221317154,0.9524338136406711,0.30846954156618145,0.0,1.1500000000000001,0.8918367346938778,1.4238095238095247,0.8857142857142861,1.0267857142857146,0.7885714285714287,0.0,0.0,1.1500000000000006,0.8918367346938777,1.4238095238095236,0.8857142857142857,1.0267857142857144,0.788571428571429,0.0,0.0,1.1500000000000001,0.8918367346938777,1.4238095238095236,0.8857142857142857,1.0267857142857144,0.7885714285714287,0.0,0.0,1.1499999999999995,0.8918367346938769,1.423809523809522,0.8857142857142851,1.0267857142857137,0.788571428571428,0.0,0.0,1.1499999999999992,0.8918367346938771,1.4238095238095223,0.8857142857142851,1.026785714285714,0.788571428571428,0.0,0.0,1.4837056431396585,0.5868196757840791,1.3222661690156534,0.9347668653556908,1.1098963846025296,0.885610829480252,0.0,0.0,38.374860092547266,19.187430046273633,28.314323689222412,38.374860092547266,3.837486009254727,19.187430067501772,7.105427357601002E-15,0.15549050559789454,0.015549050559789454,-1.8611706064751845,52.810868203140124,5.281086820314012,3.966717006711334,38.374860092547266,19.187430046273633,28.314323689222412,38.374860092547266,3.837486009254727,19.187430067501772,7.105427357601002E-15,0.15549050559789454,0.015549050559789454,-1.8611706064751845,52.810868203140124,5.281086820314012,3.966717006711334,38.374860092547266,19.187430046273633,28.314323689222412,38.374860092547266,3.837486009254727,19.187430067501772,7.105427357601002E-15,0.15549050559789454,0.015549050559789454,-1.8611706064751845,52.810868203140124,5.281086820314012,3.966717006711334,38.374860092547266,19.187430046273633,28.314323689222412,38.374860092547266,3.837486009254727,19.187430067501772,7.105427357601002E-15,0.15549050559789454,0.015549050559789454,-1.8611706064751845,52.810868203140124,5.281086820314012,3.966717006711334,38.374860092547266,19.187430046273633,28.314323689222412,38.374860092547266,3.837486009254727,19.187430067501772,7.105427357601002E-15,0.15549050559789454,0.015549050559789454,-1.8611706064751845,52.810868203140124,5.281086820314012,3.966717006711334,38.374860092547266,19.187430046273633,28.314323689222412,38.374860092547266,3.837486009254727,19.187430067501772,7.105427357601002E-15,0.15549050559789454,0.015549050559789454,-1.8611706064751845,52.810868203140124,5.281086820314012,3.966717006711334,51.0125614149799,25.171995553097865,38.173528355558936,50.9265614149799,5.09265614149799,25.17199555314852,-0.21500000000001762,0.3221603448830029,0.03221603448830029,-1.132705891906227,37.60184285096777,3.760184285096777,3.627053061188624,0,11.850000000000001,12.150111800703517,-0.2097848422165341,0.0903560420744824,6.636294998384061,9.5406974988267,10.0,24.0,21.0,18.0,4.0,3.0,0.0,0.0,0.0,6.0,15.304897999999996,3.8164407432140255,3.321824473736826,2.619181913839712,2.4802825721657964,2.3335527931030473,2.3335527931030473,0.9531848066803589,0.941428501144051,2.0107943598506757,1.7214440083357467,1.249629722584356,1.2496297225843547,1.082250302016947,0.9504490261786436,0.3105139719294345,0.23993061189667642,3.8278164661795326,3.3469080789681662,2.6458150318986857,2.5084225636664317,2.4054545878412896,2.4054545878412883,1.053336622690149,1.0430910755546892,1.977938474780525,1.6608512835939944,1.1345406859483513,1.134540685948351,1.0071675921887993,0.8754636547725743,0.1501562586141568,0.07524224360343733,3.880159400961572,3.4614156899002064,2.7718202154797913,2.70423698723352,2.7042369872335197,2.6389102673887663,1.5177937868953866,1.4462599961125526,1.8911391267375914,1.4849798489510533,0.7986202314843533,0.7603185604308985,0.7603185604308977,0.6661878216234581,0.3968430827144218,0.4730178564414512,3.836310019621337,3.3656309968574343,2.6659250192640354,2.5295318163556337,2.457539916041694,2.4575399160416938,1.1348113653661853,1.1099153517677223,1.9579867573315939,1.6223391731958976,1.0582626705327116,1.0582626705327112,0.960278991248791,0.8286566087955566,0.04190290236346176,0.03555766165376343,3.9073043677106245,3.519230963362974,2.8389820851496497,2.8389820851496492,2.838078587645887,2.706120673863215,1.7214642273785603,1.64190129619729,1.866497850206649,1.4318132635579175,0.7385642758080627,0.6313372621875604,0.6313372621875604,0.6048556577775259,0.5943111067077882,0.6565334524883302,3.8368646896322165,3.349618626254026,2.735205432169026,2.560250612640482,2.5450541564162696,2.5450541564162696,1.2394192548965042,1.149307728865305,1.9726656675038594,1.59741523783636,0.9591510727158281,0.9591510727158278,0.8782610425876515,0.7812956323500212,0.07544252292300299,0.13877423910694683,0,0,0,5,1,3,0,0,1,0.0,0.0,0.0,0.10206207261596577,0.051031036307982884,0.0,0.0,0.0,0.032075014954979206,0.016037507477489603,1.5103629710818451,0.2886751345948129,0.4330127018922194,0.14433756729740646,1.3333333333333333,0.25,0.25,0.08333333333333333,1.8618817185157404,2.103152480890206,2.1505568531105532,1.2122504486493766,1.1606836025229588,0.9748336324329172,7.612884175122366,4.605171715522539,4.700959269812563,2.8299165869141283,1.9686140808000399,1.3690824386889957,0.5350747745081851,0.3061862178478973,0.7612884175122365,0.4605171715522539,0.3357828049866116,0.2021368990652949,0.14061529148571714,0.0977916027634997,0.06688434681352314,0.051031036307982884,6.886751345948131,3.66068360252296,3.616025403784439,1.6398144721330778,0.9381528525526739,0.5366807798802438,0.1987416816216459,0.09622504486493763,0.6886751345948131,0.366068360252296,0.2582875288417456,0.1171296051523627,0.0670109180394767,0.03833434142001741,0.024842710202705738,0.016037507477489606,13.792794626501124,23.214857975236704,22.078431372549026,22.319999999999997,15.589881437125744,181.42586946107787,0.5746997761042135,0.967285748968196,0.9199346405228761,0.9299999999999998,0.6495783932135727,7.559411227544911,2.9841000000000015,45.14200000000003,40.42054827508237,58.46993254328395,80.84109655016474,8.084109655016473,40.42054827508237,0.27859045688843287,0.027859045688843287,-1.2780124720334698,37.98302012670121,3.7983020126701215,3.637139221093172,78,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,3.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.950138888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.978611111111111,0.0,0.8579166666666667,0.0,0.0,1.978611111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.673611111111112,0.0,0.0,0.0,0.0,10.55199074074074,0.0,0.0,0.0,0.0,1.3981481481481484,0.0,0.2929166666666665,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3981481481481484,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3753472222222222,0.0,0.28597222222222224,0.0,0.0,0.3753472222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.224537037037037,0.0,0.0,0.0,0.0,2.0508333333333333,0.0,0.0,0.0,0.0,1.3981481481481484,0.0,0.2929166666666665,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1666666666666665,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4191666666666667,0.0,0.28597222222222224,0.0,0.0,0.4191666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.224537037037037,0.0,0.0,0.0,0.0,2.1666666666666665,0.0,0.0,0.0,0.0,1.3981481481481484,0.0,0.2929166666666665,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.916666666666664,1.8916666666666664,0.4191666666666667,2.224537037037037,0.10416666666666669,0.2929166666666665,6.389439444444445,0.9570833333333335,0.22453703703703703,2.4512037037037038,0.9570833333333335,0.22453703703703703,2.4512037037037038,5.0,0.5,0.0,0.0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,-0.0,0.0,0.71429,0.0,0.0,0.3,0.1,0.1,11.0,1.1,5.0,0.5,6.0,0.6,1.0,0.1,0.0,0.0,7.4465,0.74465,12.42563,4.97913,0.49791,2.66428,0.26643,4.60517,1.94089,0.19409,0.30883,0.03088,0.39483,0.03948,0.25,10.0,0,0,0,0,0,0,0.4,0.9798687566511528,2.230650273053744,2.4329316468984663,2.833333333333334,3.031453645923478,2.833333333333334,23.516850159627666,53.53560655328985,58.39035952556319,68.00000000000001,72.75488750216348,68.00000000000001,0.21371358140814276,0.48651439847171934,0.5306328342959832,0.6179621606256728,0.6611730511310984,0.6179621606256728,3.605093744070004,2.354312227667413,2.1520308538226907,1.751629167387823,1.5535088547976788,1.751629167387823,0.20607611772209405,0.4691278756939676,0.5116696548112831,0.5958781005952654,0.637544767261932,0.5958781005952654,6.772325919164824,15.752494579026884,18.179871065163553,20.761179048313352,20.96084965868937,18.58340590760763,37.92632203826385,30.319525352964753,26.5105228172247,22.564410936808894,22.012531249399036,25.32380937385817,8.1,2.938775510204082,2.2857142857142856,4,6,3,2.56,1.2799999999999994,1.5000000000000004,4.0236922799991275,1.5000000000000004,3.0,6.083643418932058,3.041821709466029,1.8505358624357668,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.184,0.17099999999999999,0.4740000000000001,0.643,4.505,14.0,14.0,14.0,14.0,8.0,6.0,0.0,0.0,0.0,90.0,2.6390573296152584,3.1570004211501135,3.548179572010801,3.944006051281197,4.342993403944672,3.840795496139778,3.840795496139778,0.0,0.0,0.0,5.696883732965045,3.2993055555555557,0.4,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.1,4.0,0.4,0,3.0,5.0,0.6666666666666666,3.0,1.3333333333333335,0.6875,0.248888888888889,0.1875,0.0,0.0,0.0,0.0,0.0,0.3,0.09523809523809525,0.0625,0.03555555555555557,0.0625,0.0,0.0,0.0,0.0,0.0,0.5557936507936507,23.377274647253802,34.548075594828696,46.75454929450761,4.67545492945076,23.377274647559695,0.03242716652386045,0.003242716652386045,-3.4287587345472796,56.28586604150064,5.628586604150064,4.030443456407779,0.0,150.3504701562669,4.321928094887363,3.8918202981106265,4.653960350157523,5.5093883366279774,6.300785794663244,7.153833801578843,7.954723334497908,8.80492526261806,9.609988594762783,10.458263073829322,84.33768884684628,3.044522437723423,0.0,4.343805421853684,0.0,5.84354441703136,0.0,7.419979923661835,0.0,9.031333316150057,9.257128533474942,134.109550448,5.587897935333333,19.299499452491947,1.9299499452491946,0.0,0.0,0.0,114.0,11.0,3.854,48.0,1.2365126558733759,2.163579757032813,3.017039331510494,3.6315648348355785,4.385138937846944,5.439742824244866,6.2242992136285995,0.0,0.0,0.0,92.91185031219806,128.22283258279316,119.90431854729978,85.33572728907937,76.3827731715178,29.42691151357293,6.324286356196328,0.0,0.0,0.0,323.9803594205811,463.999413579066,530.5052346885643,423.50719621879534,467.9632867919959,349.34916613615184,193.47452601807157,0.0,0.0,0.0,9.050443238815687,15.583516532860466,21.675044641933646,25.41476128746863,30.722022889117586,37.4068739932765,41.81773019199206,0.0,0.0,0.0,2.364973853457758,3.495603644987471,4.3208027979782235,3.746439118924573,4.358514004594855,3.86004428398949,2.7674037540207572,0.0,0.0,0.0,173.8105839307111,322.56134059982315,450.72957409884134,593.8576646385305,712.7308268844512,937.3899542244691,1150.9827960805799,0.0,0.0,0.0,3.172198875885344,4.79803968376486,6.628770119423801,6.386046289996986,7.748985558540649,7.594619115252747,6.2242992136285995,0.0,0.0,0.0,0.4869614939287739,0.7249182534183221,0.9075150099268205,0.8005726792512006,0.9377565896462464,0.8535406428453587,0.6373682394755686,0.0,0.0,0.0,268.45105574465623,140.5661570083873,10.433329680240387,81.76649379436932,-42.814515192881444,-4.82460672652167,186.6845619502869,183.38067220126874,15.257936406762056,0.7665265664099511,0.40136811302976605,0.02979099617929848,0.23347343359004882,-0.12225119857424654,-0.013776027880019337,94.01627091405787,49.22873505559533,3.653935154146574,28.636061091061965,-14.994394595552322,-1.689661945251919,0.1184948407688243,0.11791250364354353,1.4758192545478463,1.5945213688087658,350.2175495390256,0.0,1.0,0.0,726.8842238448302,26.960790489984344,8.991284665293113,863.564290457885,29.38646440893979,9.522805010692908,1311.3562744525657,36.212653512999644,10.945616628395683,1.6070647604882649,1.6070647604882649,576.4648565784463,491.5977576007287,193.04374669740423,1.1726352442938641,2.9861876721759555,2.54656141942431,4.217577998046145,3.7855247285438245,6.66890254911959,0.7616851103453002,4.313020201724562,4.901504018387383,4.9513834887032395,15.519133422954122,3.9412622121413423,6.928674603819807,8.601558586330224,6.354044017360292,5.4367975665123165,7.020040549116768,4.262128814351994,2.5977066917453833,6.848678441391886E-5,2.399160773205117E-30,1.8854122931461417E-77,3.256276409478824E-146,1.1897417062748794E-236,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3620714174749675,4.719493450131441,0.341577250820423,8.151651370643906,1.1224541991146693,1.7063851880580152,1.3156633458198448,1.0325662926702814,1.428488606412256,0.47706969122813236,0.23355379840209953,0.018295860632278914,4.823580224686918E-7,1.689748549374854E-32,1.3279112941902177E-79,2.2934221002328727E-148,8.379448116863924E-239,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1685441375687449,4.731656171791366,1.15074489462839,9.279146482221215,1.4282533495368486,2.7215949770165717,2.2091023290837812,1.9620726135272966,2.0471655148861667,1.6138876515645277,0.8357376302358853,0.19065697397035225,5.026542494113912E-6,1.7608482687465478E-31,1.3837859510451426E-78,2.389922652216021E-147,8.732030996617903E-238,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.071145892351679,4.881520998982828,4.622550779399796,14.934955965652051,3.6733284518178575,6.591008754983322,7.945466005018763,5.97282436052258,5.120833714651206,6.54917626694393,3.9376261454292876,2.314509894422465,6.102049190807036E-5,2.137609055532903E-30,1.6798684090929323E-77,2.901283656335023E-146,1.0600384407255887E-236,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7221624240833229,4.747425403399336,1.7453449136177008,10.164887102162455,1.7182186609715029,3.433579576787815,2.99872206323221,2.646683192660234,2.531104804636398,2.453288121404889,1.3144803577664694,0.4141324243118659,1.0918321977137827E-5,3.824797735933522E-31,3.005767996320128E-78,5.191231357917644E-147,1.896713815650901E-237,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.2085719640029176,4.985529826412187,6.221840683110649,17.83325630543914,5.041583931596051,8.199292660985629,11.26927611710704,7.828479730513878,6.6868055678374,8.843268836101762,5.5520387059026834,3.7885110733496177,9.988153857198082E-5,3.4989505108166364E-30,2.7496966355408347E-77,4.748973113246212E-146,1.7351264648050503E-236,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4106430415049114,3.5346663690111515,2.2669107360475342,10.892423263427498,2.2147178303754678,4.417246454595697,4.140326941180486,3.341250370205686,3.291456014366064,3.5143307909905728,1.9309090659918142,0.72594027365464,1.913892556735881E-5,6.704557653778202E-31,5.26886549735187E-78,9.099804051406992E-147,3.3247842128429175E-237,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.1236619702296435,1.8189291573160373,0.830846445215582,0.6087989925252371,0.26853855782633745,0.5214311575539206,0.5528097539402304,0.31235857725876975,6.773437572761263,12.438029706256982,25.443354831301537,0.41319848878785553,1.3865994887529207,3.3956686970192926,1.03602711328638,0.40325198742876794,0.7023175511037439,0.21427886228096227,0.3535930898165133,0.17946659776866233,0.07358833345574364,4.834947797734441,5.305094981035328,11.558685221416729,0.5534763266556161,0.6066480210409193,3.654233380290923,1.3141007230590886,0.5551246468347243,0.6615842618845853,0.23791265264996095,0.4094844730908048,0.28866726275750926,0.13945061327586566,5.523458750184736,7.56007544174605,15.74925980349435,0.492376392826878,0.8376023491241797,4.102208255366726,1.795858151840592,0.8182456326738099,0.6107828568726433,0.2673875396462933,0.516020414168309,0.5388867599228212,0.30295664818687923,6.716312039881128,12.193051214865605,24.937365849963513,0.41617428530896494,1.3578638222780095,3.781465310207206,1.450929719218381,0.6298558312185094,0.6450534786209626,0.24750386049821224,0.4384915116325971,0.35186935533352554,0.17952046143562966,5.862250860644096,8.782294921295438,18.100338232165463,0.4675802179314439,0.9698813284017522,4.19219577230893,1.8926290319323513,0.8710995838490123,0.6026798939169997,0.2720887873900482,0.5389047873627231,0.5984737351568341,0.3433552957805513,6.955924388090294,13.234759780984673,27.102224706596786,0.4040198408754997,1.4807338183001084,4.1083271354761495,1.7973168215727142,0.8185402126057627,0.6109777828537919,0.26729143286761425,0.5175609627110392,0.5397625565398223,0.30317481794687806,6.7241841696546265,12.217972529291641,24.98622936390921,0.4164666742806879,1.3604983371977397 +UMLCN0070,L,4-methoxybenzaldehyde,COC1=CC=C(C=C1)C=O,Aromatics,Ethers,C8H8O2,Marquardt (2015),IQT,PubChem,,25.8,0,0.5168000000000005,0.26708224000000047,42.673100000000005,21.01834399999999,6,6,18,10,8,0,8,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1674.177481999999,1683.1975179999993,2051.3890079999987,1994.397234999999,1271.5699619999991,679.9705150000001,458.7767620000001,240.592341,51.429168000000004,4069.5867233707954,4790.69974943692,6173.775925100755,6122.780316219163,4466.91457362934,2536.4701587958784,1252.6336250362908,761.6759675578959,339.2921251691912,140.77527199999997,139.82632,220.06504800000005,232.0628920000001,231.36384000000015,177.79394800000009,92.02707999999998,38.504412,48.568895999999995,27.154511238791986,32.44867448,42.61292944854701,43.541586431698015,34.118952523396025,21.005143810489983,9.975182345094002,5.79351724,2.938142672547,2864.5986365189924,2572.5708595782007,4274.772182328447,4537.975879424299,4770.781531802997,4031.1290159708906,2066.303473872844,765.8335192666,1110.3057861611971,98.80555555555556,67.5,95.16666666666669,105.44444444444444,102.16666666666667,63.66666666666667,42.99999999999999,22.0,24.0,93.00986011111105,93.51097322222218,73.2638931428571,66.4799078333333,42.38566539999997,28.33210479166667,38.23139683333334,48.1184682,8.571528,226.0881512983775,266.14998607982886,220.49199732502694,204.09267720730543,148.89715245431134,105.68625661649493,104.3861354196909,152.33519351157918,56.548687528198535,7.820848444444443,7.7681288888888895,7.859466000000002,7.735429733333336,7.712128000000005,7.40808116666667,7.668923333333332,7.7008824,8.094816,1.508583957710666,1.802704137777778,1.5218903374481074,1.4513862143899339,1.1372984174465341,0.8752143254370827,0.8312651954245002,1.158703448,0.48969044542449996,159.14436869549957,142.92060330990003,152.67043508315882,151.26586264747664,159.0260510600999,167.9637089987871,172.19195615607032,153.16670385332,185.05096436019952,5.489197530864198,3.75,3.3988095238095246,3.5148148148148146,3.405555555555556,2.652777777777778,3.5833333333333326,4.4,4.0,0.28392797005101283,-0.0733350692706081,-0.0760847770025697,0.039715627573442464,-0.04106291085891068,-0.07151322428198073,0.09438685670941788,0.016012656966282957,-0.030083144860580398,644.3540097777778,17.735079111110807,-64.12566020987686,-173.47635296296323,-343.8901287407406,151.60514185185227,206.04202125925949,-79.1071889382716,-36.95991625925915,905.2494119673675,-42.96737003065218,140.4720990797541,-330.3146489301953,-515.7893057585372,136.66801965989296,230.02194626248613,-214.3704988156671,143.65505254923426,1.8197084444444445,-0.029459555555555364,-0.5699904691358005,-0.2724847407407408,-0.499201185185185,0.0198109629629611,0.831124148148148,-0.004210567901234596,-0.38544281481481407,4.264357397551111,-0.4707287448888833,1.1052233270857188,-1.6719369814911809,-2.1966237722122965,0.11575225400273581,1.0749689549950334,-1.1764188624979748,1.087585126231293,24.37957355621774,-3.0677790772777636,6.577759184109786,-9.545456271085614,-11.949769086556735,-0.25517087000282723,6.3093994935561355,-6.771932905860932,6.513162755009061,35.21141975308643,-0.4799382716049385,-6.7162208504801075,0.9161522633744847,-9.56687242798354,-2.8513374485596694,12.090534979423865,0.19281550068587072,-11.190843621399178,0.01577377611394516,-0.004074170515033783,-0.0027173134643774894,0.0013238542524480821,-0.0013687636952970227,-0.0029797176784158636,0.00786557139245149,0.003202531393256591,-0.0050138574767634,35.79744498765432,0.9852821728394893,-2.2902021503527448,-5.782545098765441,-11.46300429135802,6.316880910493844,17.170168438271624,-15.821437787654322,-6.159986043209859,50.29163399818708,-2.3870761128140097,5.0168606814197885,-11.010488297673175,-17.192976858617907,5.694500819162207,19.168495521873844,-42.87409976313342,23.942508758205708,0.10109491358024691,-0.0016366419753086313,-0.020356802469135734,-0.009082824691358026,-0.016640039506172835,8.254567901233792E-4,0.06926034567901233,-8.421135802469191E-4,-0.06424046913580235,0.23690874430839504,-0.026151596938271293,0.039472261681632814,-0.055731232716372696,-0.07322079240707655,0.004823010583447325,0.08958074624958612,-0.23528377249959495,0.1812641877052155,1.3544207531232078,-0.17043217095987576,0.2349199708610638,-0.3181818757028538,-0.3983256362185578,-0.010632119583451135,0.5257832911296779,-1.3543865811721862,1.0855271258348436,1.9561899862825796,-0.026663237311385472,-0.23986503037428955,0.03053840877914949,-0.31889574759945133,-0.11880572702331955,1.0075445816186555,0.03856310013717414,-1.8651406035665297,-0.2582875834932082,-0.1722677845018472,0.08392754169229645,-0.08677463692964024,-0.1889032567022159,0.4986486010472632,0.20302883533546046,-0.3178603170569149,0.027523812751979626,-0.06397669306126681,-0.16153513472147807,-0.32021850429021775,0.17646178135541193,0.47964787554511784,-0.4419711460723176,-0.17207893036316668,-0.047464675991638276,0.09975537246613696,-0.2189328009917133,-0.34186554485856796,0.11322958445469247,0.38114680311569976,-0.8525095797181487,0.4760733914326345,-0.016189162415273257,-0.20136327089272352,-0.0898445269864965,-0.16459818715769847,0.008165166385627797,0.6851021799829227,-0.008329930264775071,-0.6354470948215379,-0.11038679477456752,0.16661378117073616,-0.23524346000426552,-0.3090674960978294,0.02035809441110789,0.3781234268540748,-0.9931409378174544,0.76512240286604,-0.1258339925513324,0.17344681873734832,-0.2349209984926373,-0.2940929805601726,-0.007849938476602744,0.3881978992992061,-0.9999747700624472,0.801469649170457,-0.013630188017706098,-0.12261847369442574,0.015611167112240852,-0.1630188017706096,-0.06073322522680452,0.5150545645790416,0.01971337160888807,-0.9534557566726561,1.0440862883280266,1.2011106411531631,0.8402396142168326,1.0390428482937046,0.8986329056186793,0.5727200492620089,0.8848413643968791,1.888806305752339,0.7447635024054774,0.9593178290560391,1.0241300134237046,1.2680066794573264,0.8634184593461349,0.6463047799510447,1.3195943427018373,1.4822641432454062,0.9934097904220444,0.8260507663705868,1.1523013494905006,1.2642179352302838,0.8849530749912624,0.593763688093186,1.755791428450533,0.39177142887366795,0.6910911735799434,1.200836049682196,0.9200908741424758,1.1466288128208086,0.8014908035328736,0.4667154249862737,0.8588505509063232,2.6341236227341907,1.1418831751253908,0.8109187092745818,1.2057016942752767,1.2249408437351144,0.8804613181688404,0.504554473000105,1.9052122464310457,0.0182193839223859,1.1701603410015302,0.8203384005057583,1.2114559663984283,1.2103948597962,0.8762938724983622,0.47652440449377415,1.9124731931913506,6.701702162601631E-5,0.5252662488495418,0.8144819965063639,0.6285313581978347,1.2389577946268129,1.1189847482140505,0.3989788315729497,1.4001139501249065,4.345181224525571,36.39486051151685,18.447430255758427,27.874530902684924,36.79486051151686,3.6794860511516854,18.447430308224927,0.49999999999999645,0.004401594528129382,4.401594528129382E-4,-5.425788410949639,56.611370004433475,5.661137000443348,4.036209848505311,36.406076732431245,18.45230394531431,27.881347673693,36.804901658989145,3.680490165898914,18.45230399751179,0.49853115819737326,0.0041021512179266195,4.1021512179266196E-4,-5.4962437555729515,56.61985781966283,5.661985781966283,4.036359768547835,46.52677900477363,22.864395024328793,34.435067497164965,46.20758342232721,4.620758342232721,22.86439502486742,-0.7979889561160469,0.2555392960211361,0.025553929602113612,-1.3643790806903444,176.22575447609347,17.622575447609346,5.171765868973478,36.417849017852404,18.45741930914514,27.888503481605,36.81544069820271,3.681544069820271,18.45741936106176,0.4969896004378782,0.0037878542953795336,3.7878542953795336E-4,-5.575955569187024,56.628813675713154,5.662881367571315,4.036517931216778,57.48259339631431,27.659002433818,42.260426277317045,56.616757984842984,5.661675798484298,27.65900243382213,-2.1645885286783084,0.4650392812440144,0.04650392812440144,-0.7656334011690803,96.88952722031043,9.688952722031043,4.573571434834078,37.572656069410755,18.959462220583667,28.595860988558794,37.84967076681602,3.7849670766816015,18.959462251198914,0.3462683717565831,0.027066444177906657,0.0027066444177906656,-3.6094605405444784,57.75821007577089,5.775821007577089,4.056265505111516,35.16542495807667,17.85670665779002,27.1266718766445,35.75923448188619,3.575923448188619,17.856706764798286,1.1285714285714157,0.07146390753507292,0.007146390753507292,-2.638562746450657,60.15789318292221,6.015789318292221,4.0969726587976805,0,11.988630318027395,16.006025033431737,-0.38055949019964735,0.23293046257059075,3.807624668200085,7.787293424205735,10.0,18.0,14.0,11.0,3.0,4.0,1.0,0.0,0.0,7.0,11.619655999999999,3.8198217877027245,3.195560553139706,2.7910435433364866,2.6191819138397188,2.2569335728008584,1.1708351609974275,0.9414285011440505,0.6090391606110989,1.940463386115134,1.430373008428744,1.1839095264454198,1.0822503020169476,0.6625419087111987,0.31051397192943464,0.08392307051869105,0.08392307051869143,3.801075547145782,3.0638418004830568,2.6965077203695182,2.6458150318986826,2.1942521926782814,1.0533366226901506,0.9687804962642035,0.5028984109438335,1.9380751290421132,1.426597035451452,1.2023264402613452,1.0071675921887995,0.6305626026975651,0.15015625861415774,0.1054965720960758,0.2709139018929372,3.8675706032238746,3.2701867450498647,2.973898965944004,2.7718202154797895,2.408921172577031,1.517793786895387,1.4740204012123255,1.0809794925426366,1.848777402725061,1.1513524651647342,0.9145264498485047,0.7986202314843522,0.34293913326773506,0.39684308271442176,0.6640393391763023,0.9439184268026224,3.8005308867722336,3.034096741810603,2.697801499701238,2.6659250192640327,2.1799455441208275,1.1348113653661844,0.9425602799844723,0.5471562219461009,1.9361020085742027,1.4352968847971042,1.2001508837157757,0.9602789912487923,0.6124925571330643,0.041902902363462155,0.11625633752402952,0.39927724550898214,3.881724118798651,3.2812819958259385,3.028681821885742,2.8380785876458887,2.454472894223309,1.7214642273785592,1.5656881084108911,1.2081745099773824,1.8336576146761443,1.131492554627335,0.8467478848407403,0.7385642758080628,0.2984090311648839,0.5943111067077903,0.780302604170578,1.1593324702553724,4.479909081222751,3.7772940047441823,3.155496333482603,2.7225923666720977,2.481576443843169,1.5921385939108832,1.3201473716039978,1.2302146880173266,1.878094151003906,1.1826822360492248,0.9460062380664729,0.8897421681045691,0.35009818681069893,0.06736989602383733,0.43648632618829214,0.5217391304347822,0,0,1,5,1,0,0,0,0,0.0,0.0,0.0,0.08333333333333333,0.11785113019775793,0.0,0.0,0.0,0.027777777777777776,0.027377737768152464,0.4082482904638631,0.0,0.0,0.0,0.1642664266089148,0.0,0.0,0.0,0.9855985596534889,1.1148077477548908,1.040440114519881,0.29700362305284617,0.27352308245226986,0.21683604288250635,7.397341225498538,4.863703305156275,3.703247926875856,3.121027033568037,2.047980757104602,1.4714045207910313,0.9023689270621826,0.4023689270621825,0.7397341225498538,0.48637033051562745,0.3086039939063213,0.22293050239771692,0.14628433979318586,0.09196278254943946,0.07519741058851521,0.06706148784369709,5.703247926875856,2.958117035732042,1.8910108691585386,1.2518847232277168,0.6824778110696941,0.40811473416395727,0.17204086372695887,0.05181253808078844,0.5703247926875856,0.2958117035732042,0.15758423909654487,0.08942033737340835,0.04874841507640672,0.02550717088524733,0.014336738643913239,0.00863542301346474,11.596909423977205,18.212672978878366,17.600000000000005,17.840000000000003,12.15469700598802,135.3928407185629,0.6442727457765114,1.0118151654932426,0.9777777777777781,0.9911111111111113,0.6752609447771122,7.521824484364605,2.00849,40.44250000000002,42.385042022190746,55.88860613380929,84.77008404438148,8.477008404438148,42.385042022190746,2.220446049250313E-16,2.2204460492503132E-17,-36.04365338911715,48.66129512973895,4.866129512973895,3.8848839529021038,100,0.0,0.0,2.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,4.0,0.0,0.0,0.0,1.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,1.0,4.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.063032407407407,9.17712962962963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7157312925170067,2.2141666666666664,0.0,0.0,0.0,0.7157312925170067,2.9298979591836734,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5931712962962963,0.0,0.0,0.0,0.8049999999999999,6.9356481481481485,0.0,0.0,0.0,0.0,1.436481481481482,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.165294312169312,4.897738095238095,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.897738095238095,0.6674074074074076,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7157312925170067,0.549375,0.0,0.0,0.0,0.7157312925170067,0.549375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5931712962962963,0.0,0.0,0.0,0.8049999999999999,1.7141203703703702,0.0,0.0,0.0,0.0,0.6674074074074076,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.165294312169312,4.897738095238095,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.165294312169312,1.7537037037037038,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7157312925170067,0.5577083333333333,0.0,0.0,0.0,0.7157312925170067,0.7157312925170067,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5931712962962963,0.0,0.0,0.0,0.8049999999999999,1.7537037037037038,0.0,0.0,0.0,0.0,0.7690740740740744,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.165294312169312,4.897738095238095,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,25.833333333333336,2.5833333333333335,0.7157312925170067,10.165294312169312,0.25635204081632634,0.6674074074074076,3.2747050925925927,1.195,3.165294312169312,9.126064814814814,1.195,3.165294312169312,9.126064814814814,4.66666,0.46667,0.0,0.03333,0.60741,0.85333,0.43333,0.53056,0.85333,0.17407,0.07685,-0.09722,0.0,0.54687,0.16742,0.0,0.17857,0.21429,0.0,13.75,1.375,5.75,0.575,8.0,0.8,2.25,0.225,0.5,0.05,4.06817,0.40682,11.43218,7.36401,0.7364,1.74779,0.17478,4.86369,3.1159,0.31159,0.05031,0.00503,0.13631,0.01363,0.3333333333333333,10.02,1,2,2,2,0,0,0.125,1.3921472236645345,2.8163401138534083,3.2390979179887864,3.6835423624332306,3.7946534735443422,3.57243125132212,25.05865002596162,50.69412204936135,58.303762523798156,66.30376252379816,68.30376252379816,64.30376252379816,0.3338542595329682,0.6753934693979581,0.7767760611685901,0.8833593796433151,0.9100052092619965,0.8567135500246339,2.7777777777777777,1.3535848875889038,0.9308270834535257,0.4863826390090815,0.3752715278979699,0.5974937501201922,0.31218041730841556,0.6315468774278501,0.7263477041449921,0.8260116260194699,0.8509276064880895,0.8010956455508506,12.397266514129882,25.268658129480876,28.137429575406312,31.028057360295204,29.918685145184092,28.473371252739646,34.75355559401722,24.69857696480659,21.172599314329627,17.759399311765513,18.72381042351765,20.411529869083896,8.1,4.0,2.2857142857142856,2,9,0,2.1199999999999997,1.0726000000000007,0.0,1.2932046449294663,0.6324555320336759,0.0,4.883593419305869,6.597539553864471,0.0,0.33333333333333337,0.0,0.0,0.0,0.16666666666666669,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.6779999999999999,0.6890000000000001,1.209,0.8170000000000001,4.899,12.0,14.0,14.0,16.0,12.0,6.0,0.0,0.0,0.0,94.0,2.70805020110221,3.1570004211501135,3.6699514442284173,4.066887715989061,4.541298109393681,4.406719247264253,4.095385686730511,0.0,0.0,0.0,5.929589143389895,3.9893617021276597,0.42857142857142855,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.2,3.0,0.3,0,4.0,7.0,0.75,2.0,0.8888888888888893,0.25,0.3822222222222223,0.18055555555555558,0.04081632653061225,0.0,0.0,0.0,0.0,0.2,0.07407407407407411,0.022727272727272728,0.06370370370370372,0.060185185185185196,0.020408163265306124,0.0,0.0,0.0,0.0,0.44109839895554187,26.039493851280238,39.44261808871309,52.07898770256048,5.207898770256049,26.03949385130262,1.1102230246251565E-16,1.1102230246251566E-17,-36.7368005696771,53.58395179676936,5.358395179676936,3.9812496164689075,26.3,130.70249560485573,4.321928094887363,3.8066624897703196,4.574710978503383,5.3612921657094255,6.150602768446279,6.9440872082295275,7.737616282857904,8.532475814947395,9.326967183907902,10.122020491292654,82.55643538366479,3.044522437723423,0.0,4.23410650459726,0.0,5.652489180268651,0.0,7.158513997329321,0.0,8.703008637464448,8.947285869349132,136.052429496,7.558468305333333,19.568742609654244,1.9568742609654244,5.232924108150183,5.232924108150183,0.0,125.0,11.0,0.6699999999999999,44.0,1.236683541164501,2.165052329918551,3.0288753676512226,3.8180048287614574,4.499059597475366,5.417486920491385,6.440854304505533,6.930545381664956,0.0,0.0,123.93908026415296,168.86707659130494,209.62183459352633,173.9256689307219,139.84402910806043,229.48668320874393,325.66379461848544,61.02949824363483,0.0,0.0,345.2297014083675,500.53648639743835,631.5459165242981,588.3377701178492,500.2944478580803,590.2755204072834,997.602265965621,397.3872294906371,0.0,0.0,9.666406663309804,17.053928016495348,23.49731232191041,29.586579542276557,33.67942374232775,42.08543963172647,49.855186979705564,56.397352439382495,0.0,0.0,2.3054058729181213,3.4235659293176353,4.456702348591197,4.421626548371105,4.047073288233461,4.56765538367567,7.482778118231496,3.403511794149948,0.0,0.0,175.6061121935555,327.3694962837986,455.8327879920386,605.6339496073259,751.743096238739,933.2962558190266,986.5437234607873,1282.5327634490734,0.0,0.0,4.753967449017616,7.526887277639804,10.905851258094259,13.37154118368585,12.708877812519512,21.053569337113302,29.38874411054898,28.367066254886833,0.0,0.0,0.5187915752383653,0.7836168009853742,1.034688212095601,1.0666552937499345,0.995800501200415,1.1662319553578049,1.8759457431120865,1.0755378033188114,0.0,0.0,231.22000848204013,186.5450084058546,15.663278040051594,122.02975065386042,-98.45186413984977,-25.132577752181575,109.19025782817971,284.9968725457044,40.79585579223317,0.654551071875144,0.5280824787033696,0.0443405200851834,0.3454489281248561,-0.27870327323273236,-0.07114676543208256,81.67841230368154,65.89697928737267,5.533049194926865,43.10698002589019,-34.77809729388233,-8.878077037422432,0.18555818861781495,0.4326126451434826,1.6339553437967824,9.203276775590153,279.1477533061243,74.10200582977625,0.7902277243980567,0.20977227560194342,889.1049816191633,29.817863465029873,9.615776221371537,967.4505194478864,31.10386663178529,9.890302783697086,1513.253404985403,38.900557900696015,11.480757751727854,2.062413151932688,2.062413151932688,733.0795292726359,659.772744452968,111.82496456870035,1.111109143922652,6.5555981358908815,5.900048768158854,4.179401745515493,4.391532400036731,7.66961777303186,0.7464559234420568,2.571180349742948,1.4874261417498875,5.893715677307619,7.71509109490556,4.010589526536526,5.438436677302221,4.649272016369442,4.64313350418291,4.575952381729503,1.8046993935625688,2.074220236849165,1.0544801006814286,0.6247493034384861,0.8658019556773879,1.8179034400388835E-5,1.13211606264621E-30,1.3598374591449846E-77,3.150351068818838E-146,1.4076893055247193E-236,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2323931269162905,1.6550686699187311,0.5821205826106625,2.479283924105578,1.6284415109547556,3.1227664136857953,3.1388749145802586,1.1700691986725367,0.2709067188887413,0.49693912230398996,1.2504304230411167,0.08920384004682493,0.3030552446404133,0.09617857053743559,2.032197197131195E-6,1.2655694679182865E-31,1.520134574897628E-78,3.5217132390133825E-147,1.5736271784917823E-237,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7025264828529222,1.3433172316187645,1.3087663090893873,2.731304007972588,1.4715683322266604,2.7957023939639636,2.957359299749293,1.5302472152739237,0.7178319535800234,0.5925542048760949,1.2085522282224042,0.28284945442907455,0.19055500056428154,0.16696405205719833,3.520352095236076E-6,2.192331597712229E-31,2.6333118377173854E-78,6.100623796392835E-147,2.725976466626504E-237,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4321036496073765,1.6544334653037016,6.60437664418847,7.7157958337344885,4.473016865888954,5.765133633623665,4.819399999499704,4.859909791871214,4.440176326261214,1.8089318240744257,2.404913655612021,1.0049203189082991,0.6557673652164071,1.0853615704531074,2.283354201275641E-5,1.4219797988388038E-30,1.7080063258608942E-77,3.956957883487387E-146,1.7681100211746712E-236,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0277585632491977,1.2248492761183525,1.6195360226323947,3.0837339971395012,1.4962719318699291,2.8161809027266167,3.00064980562795,1.7888771916990083,1.0883812698693647,0.7159708881400711,1.18005313189666,0.4140690764450063,0.17208824501240783,0.16582887302913382,3.4858064519060046E-6,2.17081798106624E-31,2.607470828334902E-78,6.04075763299221E-147,2.6992261279687075E-237,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1050698840681945,1.593212686097409,8.006488770297867,9.989241288417167,5.083961603566585,6.514944051691549,5.2636499821811205,5.924747734742957,6.329093273599744,2.208927910593712,2.585825490193385,1.2818294277785884,0.8548201515009413,1.2644992023042794,2.6550640267307148E-5,1.6534655063701712E-30,1.9860546167950053E-77,4.601115554418362E-146,2.055942660976692E-236,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4430378221103763,1.8317802124605873,5.370152138358541,5.28189877408531,6.581222579392636,5.605504142905682,4.233618988773857,4.1123279296027935,2.9579001251474564,1.251552125627442,2.6627316445192615,0.6157722348184349,0.9677608734546429,1.6402948520477427,3.46398235833496E-5,2.157226826365557E-30,2.5911458578792897E-77,6.002937386331547E-146,2.6823266918126973E-236,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.206589435808771,1.4360360661377896,0.2871052304544368,0.7513408005111338,0.20722826349130524,0.5190413524914217,0.40553247275061227,0.32813555212424506,6.929730732400998,9.383982736952287,18.460356272368692,0.6270112007667007,1.252709377366279,4.860985465089296,0.6805656244623208,0.18377681176910493,0.8490318019982683,0.11886928333053685,0.45641979531048815,0.08788283096644484,0.13502991161233252,5.725327901320722,4.326628200044168,10.659930153656386,0.7735477029974025,0.6793325378892656,4.477320891824901,0.976604800689534,0.19799113982253685,0.792177419562914,0.17279178545267526,0.3835174717409263,0.18551687945086676,0.15686538818440826,5.651916832336972,5.452402041552096,11.970049601398014,0.6882661293443709,0.7258997393762012,5.347920264172194,1.3721220766240543,0.2863872890410155,0.7632875154269421,0.19583755908727,0.546871772428767,0.3691856992212054,0.3269362764758415,7.006429629837263,9.262534166717288,18.370473568457605,0.6449312731404131,1.2429937481258138,4.415123154376663,1.1287841226334459,0.2127402494299082,0.7669608281726831,0.1960835916128254,0.3729684749551503,0.2497781346226149,0.18091170959902808,5.756647526440017,6.1631331330590875,12.980018690286006,0.6504412422590246,0.8036583191767932,5.385710618646183,1.4972441123193638,0.3028736959778502,0.7494905665229024,0.20836068207604558,0.5553785429009638,0.44103477204264624,0.3648454705340929,7.185828426943397,10.14838945303964,19.776507624140095,0.6242358497843536,1.361258785477703,5.3560402890725385,1.3879716344614157,0.2820287118990808,0.762312740131545,0.19754677014842958,0.5484640236154424,0.37806549527934263,0.3143797815794187,7.026040635433034,9.336036990091529,18.458688093083733,0.6434691101973176,1.2409093004742038 +UMLCN0071,L,n-hexylbenzene,CCCCCCC1=CC=CC=C1,Aromatics,,C12H18,NREL (2014),Unknown,PubChem,,26,0,0.16949999999999932,0.02873024999999977,52.14619999999999,33.122273999999976,6,6,30,12,18,0,12,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1749.4586039999979,1949.0970359999992,2283.0959889999995,2037.0710749999964,1567.9574479999967,1349.018670999997,1152.2619419999976,955.5052129999999,648.7734989999999,5641.710220748698,7147.461915661293,9540.698018415851,9482.64484741498,7867.8842930554065,6693.780204221108,5686.981859265986,4680.183514310866,3531.9106278561117,211.4185440000001,218.60356799999994,386.65627600000016,506.74285999999984,462.76841599999983,399.08517999999987,336.20028,273.3153800000002,210.80593200000015,41.46983228728203,53.51059758,76.55956546879194,81.21188637607386,69.50455344607401,59.145161776376085,50.12363291698008,41.102104057584064,31.743082318490004,4850.0500095164825,4277.7381319122,8180.711919889695,11561.886039571977,10722.135328163276,9306.770381747378,7827.815226708783,6348.860071670186,4832.642899631791,56.02777777777778,68.16666666666667,104.08333333333333,119.5,104.25,89.83333333333333,77.66666666666666,65.5,53.5,58.31528679999993,64.96990119999997,42.27955535185184,28.292653819444396,23.75693103030298,23.666994228070124,24.00545712499995,24.500133666666663,21.6257833,188.05700735828992,238.24873052204308,176.67959293362688,131.7034006585414,119.21036807659706,117.43474042493172,118.47878873470803,120.0047054951504,117.73035426187039,7.0472848000000035,7.286785599999998,7.1603014074074105,7.038095277777775,7.011642666666664,7.00149438596491,7.0041725,7.008086666666671,7.026864400000005,1.382327742909401,1.7836865860000002,1.4177697309035546,1.1279428663343591,1.053099294637485,1.037634417129405,1.044242352437085,1.053900104040617,1.0581027439496669,161.6683336505494,142.59127106373998,151.4946651831425,160.58175054961077,162.45659588126176,163.2766733639891,163.0794838897663,162.7912838889791,161.08809665439304,1.8675925925925927,2.2722222222222226,1.9274691358024691,1.6597222222222223,1.5795454545454546,1.5760233918128654,1.6180555555555554,1.6794871794871795,1.7833333333333334,0.06498668329293787,-0.0010622212216116374,-0.02587704053657126,-0.011866747372463866,-0.004378842431527572,0.006720110062903252,0.0028279499639968153,0.0025859209805159217,-0.008279606429926725,871.6752648000005,-1.0587086762825493E-12,-237.2893776400007,-33.89848252000007,-77.48224575999984,14.527921080000159,9.685280720000197,4.842640360000182,-169.4924126,1620.9173767624015,4.405364961712621E-13,-441.2497303408761,-63.03567576298235,-144.0815446011028,27.015289612706624,18.01019307513775,9.005096537569102,-315.17837881491175,0.1707551999999997,2.7183116868556567E-15,-0.0464833599999975,-0.0066404799999999955,-0.015178240000000636,0.002845919999999201,0.001897279999999381,9.48639999999547E-4,-0.033202400000000076,7.2462548509127975,1.715294573045867E-14,-1.9725915983040214,-0.28179879975772015,-0.6441115423033642,0.1207709141818748,0.08051394278791546,0.040256971393956564,-1.4089939987886009,39.36177135683278,-3.455014052633487E-13,-10.715148869360332,-1.5307355527656996,-3.498824120607255,0.6560295226139852,0.43735301507600144,0.21867650753801615,-7.653677763828579,4.893518518518517,0.49537037037037046,0.07407407407407436,0.04166666666666605,-0.8472222222222223,-0.35879629629629683,-0.44907407407407485,0.113425925925926,-1.1157407407407418,0.0021662227764312624,-3.540737405372125E-5,-4.7920445438094926E-4,-1.6481593572866481E-4,-6.634609744738746E-5,1.1789666777023249E-4,5.8915624249933654E-5,6.630566616707492E-5,-2.759868809975575E-4,29.055842160000015,-3.529028920941831E-14,-4.394247734074087,-0.47081225722222325,-1.1739734206060581,0.2548758084210554,0.20177668166667076,0.1241702656410303,-5.649747086666666,54.03057922541338,1.4684549872375405E-14,-8.171291302608816,-0.8754954967080882,-2.183053706077315,0.4739524493457303,0.37521235573203643,0.23089991121972056,-10.505945960497058,0.00569183999999999,9.061038956185523E-17,-8.608029629629167E-4,-9.222888888888883E-5,-2.2997333333334296E-4,4.992842105261756E-5,3.9526666666653774E-5,2.4324102564090948E-5,-0.0011067466666666692,0.24154182836375993,5.717648576819557E-16,-0.036529474042667064,-0.0039138722188572245,-0.009759265792475215,0.0021187879681030665,0.0016773738080815722,0.001032230035742476,-0.046966466626286694,1.3120590452277594,-1.151671350877829E-14,-0.1984286827659321,-0.021260216010634717,-0.0530124866758675,0.011509289870420792,0.009111521147416696,0.005607089936872209,-0.2551225921276193,0.16311728395061725,0.016512345679012348,0.0013717421124828585,5.787037037036951E-4,-0.012836700336700339,-0.006294671864847313,-0.009355709876543225,0.0029083570750237436,-0.037191358024691396,-0.016345213631283585,-0.22121660781833957,-0.07608448102470346,-0.030627550485222553,0.05442499684379693,0.027197398573656415,0.03060888607048533,-0.1274046621614012,-1.2145677628301891E-15,-0.15123456790123493,-0.01620370370370373,-0.040404040404040296,0.008771929824561493,0.006944444444444582,0.004273504273504432,-0.19444444444444434,2.7178220339101045E-16,-0.1512345679012346,-0.016203703703703724,-0.040404040404040525,0.008771929824561382,0.006944444444444427,0.00427350427350437,-0.19444444444444467,1.5919349377680222E-14,-0.15123456790122672,-0.016203703703703724,-0.04040404040404217,0.008771929824558957,0.0069444444444421915,0.00427350427350224,-0.19444444444444522,2.36714635123521E-15,-0.15123456790123319,-0.016203703703703717,-0.04040404040404068,0.008771929824561028,0.0069444444444440555,0.00427350427350391,-0.19444444444444461,-8.7775878308732E-15,-0.15123456790123876,-0.016203703703703495,-0.04040404040403921,0.008771929824562813,0.00694444444444574,0.004273504273505373,-0.19444444444444398,0.10122989593188272,0.008409544833385928,0.0035477767265846218,-0.07869613829878734,-0.03858985211372809,-0.05735572374645233,0.017829852266938374,-0.2280037842951753,1.1649165133846646,1.1973846610491443,0.9629260738528338,0.9212828586538501,0.8283440287661007,0.8854723215518029,0.9766473663208745,1.2812449653449056,1.2083333333333335,1.23070987654321,0.9789737654320991,0.9764309764309768,0.9186159844054582,0.9230324074074076,0.9294871794871795,1.1412037037037037,1.2083333333333341,1.2307098765432103,0.9789737654320991,0.9764309764309768,0.9186159844054586,0.9230324074074079,0.9294871794871801,1.1412037037037046,1.2083333333333337,1.23070987654321,0.9789737654320989,0.9764309764309766,0.9186159844054583,0.9230324074074077,0.9294871794871797,1.1412037037037042,1.2083333333333341,1.2307098765432105,0.978973765432099,0.976430976430977,0.9186159844054587,0.9230324074074079,0.9294871794871801,1.1412037037037044,1.208333333333333,1.230709876543209,0.978973765432098,0.9764309764309758,0.9186159844054578,0.9230324074074072,0.9294871794871792,1.1412037037037035,1.086471144749291,0.9617891306633032,0.8813859981078527,0.9253461770018064,0.9053926206244091,1.0031338694418166,1.0130267083909472,1.4815515610217602,74.67648576091077,37.33824288045537,60.05653569636786,74.67648576091077,6.2230404800758965,37.33824288045537,-3.552713678800501E-14,0.3192504382617709,0.026604203188480908,-1.370135293541917,62.27888195517172,5.189906829597644,4.957946873876031,74.67648576091077,37.33824288045537,60.05653569636786,74.67648576091077,6.2230404800758965,37.33824288045537,-3.552713678800501E-14,0.3192504382617709,0.026604203188480908,-1.370135293541917,62.27888195517172,5.189906829597644,4.957946873876031,74.67648576091077,37.33824288045537,60.05653569636786,74.67648576091077,6.2230404800758965,37.33824288045537,-3.552713678800501E-14,0.3192504382617709,0.026604203188480908,-1.370135293541917,62.27888195517172,5.189906829597644,4.957946873876031,74.67648576091077,37.33824288045537,60.05653569636786,74.67648576091077,6.2230404800758965,37.33824288045537,-3.552713678800501E-14,0.3192504382617709,0.026604203188480908,-1.370135293541917,62.27888195517172,5.189906829597644,4.957946873876031,74.67648576091077,37.33824288045537,60.05653569636786,74.67648576091077,6.2230404800758965,37.33824288045537,-3.552713678800501E-14,0.3192504382617709,0.026604203188480908,-1.370135293541917,62.27888195517172,5.189906829597644,4.957946873876031,74.67648576091077,37.33824288045537,60.05653569636786,74.67648576091077,6.2230404800758965,37.33824288045537,-3.552713678800501E-14,0.3192504382617709,0.026604203188480908,-1.370135293541917,62.27888195517172,5.189906829597644,4.957946873876031,91.57948120580883,45.33829729379336,74.91382943632674,91.46466639099404,7.622055532582838,45.33829729379336,-0.2296296296295992,0.4178454263966374,0.034820452199719784,-1.0471724497887207,65.70513695714968,5.475428079762473,5.022212532622207,0,11.850000000000007,12.150141701565017,-0.21004416796922853,0.09011977747543282,5.147031763382579,8.719086668571377,12.0,30.0,27.0,24.0,6.0,3.0,0.0,0.0,0.0,6.0,19.677725999999996,3.7851683310019153,3.421465843192026,3.0778056840285304,2.6892233915197012,2.619181913839709,2.2803505122350045,1.810841527332358,1.3990039841808934,1.9942800988201552,1.8488228883952245,1.5989001177207993,1.2807742995534224,1.0822503020169478,0.9895602595374646,0.7943738082316283,0.6345654197939898,3.7975313723424864,3.451029363176817,3.112160020494355,2.7253146360027083,2.6458150318986884,2.331490768071524,1.8885085020148962,1.5022655924488153,1.9589669723931415,1.7884958145547738,1.5232786670284886,1.190619920933421,1.007167592188802,0.8900364572906555,0.6744216458600893,0.4895745754377579,3.854109097680282,3.5801704680342423,3.2663432718853103,2.892832800598572,2.7718202154797917,2.549800917176655,2.213559708465354,1.9213996840211152,1.865920708410882,1.6057340229088706,1.2974606528130292,0.9278079628054217,0.7986202314843523,0.5920110454271275,0.2744660039118137,0.00212104984965186,3.8067456458176956,3.472770856353684,3.1376835072367935,2.75239306361003,2.665925019264037,2.3688558733943252,1.945010734041871,1.576600871023632,1.937588129873756,1.7495162279288852,1.4747126224390426,1.133095543893873,0.960278991248792,0.8263915956609916,0.5940807044510872,0.3919143848923804,3.883282618280358,3.6423747382121245,3.342306433628826,2.978849626708213,2.838078587645886,2.652074338690281,2.359595908076396,2.103909377040369,1.8393875410655074,1.5476078285125112,1.2269462723745017,0.8491069688431347,0.7385642758080635,0.4955875056092979,0.13421830609183827,0.17910664741368695,3.8897345365074867,3.422064448800618,3.1392110774919915,2.805347208624467,2.7934713009908654,2.4155466761821476,1.9888632208906416,1.6359632107422246,1.9027859847673285,1.7418385786584076,1.4445923283510367,1.0771044862760475,0.8146802054766757,0.7450809570968029,0.5005060996978754,0.29364308565637115,0,0,0,5,1,1,5,0,0,0.0,0.0,0.0,0.10206207261596577,0.07216878364870323,0.0,0.0,0.0,0.032075014954979206,0.022680460581325723,0.20412414523193154,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.4330127018922194,0.6123724356957946,0.6495190528383291,0.21941609682128765,0.2730017401615745,0.25598544629150227,8.648418081055103,5.931851652578137,4.353371151128521,3.190670697680658,2.335604198162152,1.7077077845361235,0.8237499091029983,0.5525858577612696,0.720701506754592,0.4943209710481781,0.3348747039329632,0.2279050498343327,0.15570694654414347,0.10673173653350772,0.07488635537299984,0.05525858577612695,7.922285251880869,4.97134377430278,3.29625873143331,2.1618298825622118,1.4005780783709254,0.8945962951667713,0.4427416120598018,0.28045888516821205,0.660190437656739,0.414278647858565,0.25355836395640846,0.15441642018301513,0.09337187189139502,0.05591226844792321,0.04024923745998198,0.028045888516821205,16.876450234072866,28.99053168244719,27.52941176470589,27.83999999999999,19.186990419161685,227.4823796407186,0.5625483411357622,0.966351056081573,0.9176470588235297,0.9279999999999996,0.6395663473053895,7.582745988023953,3.809400000000003,54.288000000000046,60.210126170850714,90.62665699236969,120.42025234170143,10.035021028475121,60.210126170850714,0.17339010828743878,0.014449175690619898,-2.102653514273641,84.986031132151,7.0821692610125835,5.330984284035994,167,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,6.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,5.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.227948396951373,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9904215088813304,0.0,1.5875277541572186,0.0,0.0,1.9904215088813304,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.25249716553288,0.0,6.686221104182414,0.0,0.0,10.747760377299068,0.0,0.0,0.0,0.0,1.4801880196523056,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4801880196523056,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38064448696145126,0.0,0.2215873803224994,0.0,0.0,0.38064448696145126,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.25249716553288,0.0,1.2508333333333332,0.0,0.0,2.078911643361048,0.0,0.0,0.0,0.0,1.4801880196523056,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2142318594104307,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4184608449861426,0.0,0.35930555555555554,0.0,0.0,0.4184608449861426,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.25249716553288,0.0,1.3817793367346938,0.0,0.0,2.2142318594104307,0.0,0.0,0.0,0.0,1.4801880196523056,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.166666666666664,1.7638888888888886,0.4184608449861426,2.25249716553288,0.12205073696145124,1.2508333333333332,7.705455304469011,0.24916666666666668,0.2524971655328798,2.000515085663895,0.24916666666666668,0.2524971655328798,2.000515085663895,6.0,0.5,0.0,0.0,0.46,0.7,0.43333,0.43333,0.7,0.02667,0.02667,-0.0,0.0,0.71429,0.0,0.0,0.08333,0.08333,0.0,12.0,1.0,6.0,0.5,6.0,0.5,0.0,0.0,0.0,0.0,9.10917,0.7591,13.98793,4.87875,0.40656,3.94966,0.32914,5.93185,1.98218,0.16518,-0.01785,-0.00149,0.06815,0.00568,0.2,12.0,0,0,0,0,0,0,0.5,0.9709505944546688,2.262724019451591,3.202910079649727,3.9232314287976204,4.053235913127292,4.119902579793958,29.128517833640064,67.88172058354773,96.08730238949181,117.69694286392861,121.59707739381875,123.59707739381875,0.1978749221194442,0.4611319480969564,0.652737210508873,0.799535133778765,0.8260294037847072,0.8396157402574076,3.93594000115385,2.6441665761569277,1.7039805159587917,0.9836591668108983,0.8536546824812268,0.7869880158145603,0.19248111299006795,0.4485621000088241,0.634944455937371,0.777740861631283,0.8035129328163564,0.8167289236943936,6.790894279573414,16.670303259129863,21.595091102189894,24.06326750150973,24.194289275089428,24.994289275089425,46.03075754975106,34.121472127252275,24.87705198182588,19.729223398195433,19.351468113181422,18.18871187493801,10.083333333333334,6.508875739644971,4.591836734693878,6,6,6,2.7800000000000002,1.5617999999999999,0.0,2.2234123777418557,0.16666666666666669,0.0,15.394910668022218,4.832409737652294,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.13299999999999998,0.124,0.553,0.664,5.914999999999999,13.0,14.0,15.0,16.0,11.0,10.0,8.0,6.0,4.0,121.0,2.772588722239781,3.1135153092103742,3.488902962081261,3.8841378019386106,4.289602910046775,3.727198318416073,3.702843994464309,3.6260062122954264,3.498399709618518,3.2700441114426,5.926592637069173,3.0898760330578514,0.4444444444444444,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.4166666666666667,6.0,0.5,1,5.0,9.0,0.8,1.0,0.44444444444444464,0.1875,0.1511111111111111,0.09027777777777776,0.06040816326530612,0.043402777777777776,0.032753842277651796,0.015625,0.0,0.08333333333333333,0.034188034188034205,0.017045454545454544,0.01888888888888889,0.012896825396825394,0.010068027210884354,0.008680555555555556,0.010917947425883931,0.015625,0.0,0.2116440665448602,41.83964907569096,65.84230423429976,83.67929815138194,6.9732748459484935,41.83964907569096,0.181288380992653,0.015107365082721083,-2.0491995005566803,69.1095553471107,5.759129612259225,5.082831604913897,0.0,184.94243940800024,4.584962500721156,3.9318256327243257,4.653960350157523,5.3981627015177525,6.142037405587356,6.898714534329988,7.652070746116482,8.414717399827001,9.172949982757624,9.938902957757083,86.20334171077515,3.2188758248682006,0.0,4.343805421853684,0.0,5.666426688112432,0.0,7.080867896690782,0.0,8.54188580400661,8.811801223938751,162.140850576,5.4046950192,23.707515593377085,1.9756262994480904,0.0,0.0,0.0,242.0,11.0,5.214,50.0,1.2391434580320337,2.164611596689507,2.9283282455075974,3.718191315448226,4.828781756726155,5.798736123791721,6.9449504132339035,8.00806253540766,9.001978983391703,10.150536672058488,90.77378919449178,99.96644110915214,93.01937563724574,105.64043613924105,131.22202124028573,159.85079205587513,189.73368775267053,189.63345168785114,115.64847042762504,48.10494404237116,319.21228416346514,405.11293991707436,413.91971737242216,497.3164884775966,615.6040860525477,749.5750685380737,891.552938234912,995.1960845639719,803.5716663551083,600.5539296507503,9.06222490438588,15.544774499140168,20.670667551371395,26.21186698471999,33.91932339838225,40.77150083112898,48.81141677259968,56.41216176155175,62.5518784442285,69.5561328401051,2.3403953717035395,3.202846181647045,3.4729772619447346,4.259760262396598,5.307230126729111,6.447918462451731,7.68075150631573,8.80968756511563,7.868110503257935,6.7923640392899545,174.64570684683454,324.7414822307241,465.9100344945559,593.6122203830963,780.4620230227148,934.2132550916793,1120.335543727087,1279.5713907920654,1502.5390999233832,1768.6753603828301,2.8983007673749417,4.282453316694629,4.994350652843935,6.147568596897222,7.837508490135733,9.729709231728565,12.03113352475097,14.673925476526476,14.372396278280739,13.557918095920948,0.4822976951430192,0.6696676198307501,0.7349838361163922,0.9044950600788892,1.128876592033738,1.3707655417824107,1.633358075538192,1.8797711433658582,1.7079967236843767,1.5082706391422642,362.04944197091424,236.505120723328,13.754322418108034,84.75411568300974,-55.36476524391232,-5.022248563268341,277.2953262879045,291.8698859672403,18.776570981376373,0.8103101145209394,0.5293268521969007,0.030783824753610353,0.18968988547906074,-0.12391299105723694,-0.011240395196580714,161.76497871922237,105.67132934255372,6.145480189529791,37.86844041298099,-24.73717407965434,-2.2439585254906027,0.09495560630027856,0.09992697064312199,2.3127743690945417,0.9584833836996896,446.8035576539239,0.0,1.0,0.0,851.0473621371301,29.17271605691061,9.476571492114276,1026.4755730773356,32.03865747932231,10.087484327626543,1443.1278607468948,37.98852275025833,11.300602627288912,2.618304297258813,2.618304297258813,1820.8982606751576,1773.0012716658564,157.20425008499,1.0270146388357064,11.583009108791382,11.278329120919512,5.560111619871292,5.921549863090994,11.409942058986497,0.9268506257296992,5.4286212564583565,6.615426049386254,4.666384867429985,26.749581480088764,9.625589788473718,4.386234613954157,5.883942683979339,11.313987358096824,13.022572276495755,3.0620296507339058,4.5192058047380925,8.13787842246854,6.942037329716341,5.148325512588176,4.0515783846092805,3.0262120550533984,6.408722407789153,3.4420828719223824,3.81674126927041,1.0322189519308305,0.9775995775928398,0.864854051551369,1.2868022542034685E-15,3.775157904468087E-52,2.18035048990854E-110,2.4735431915507593E-190,5.49796074235732E-292,0.0,0.0,0.0,0.4556961725692483,6.615154177940363,0.36553181716436767,7.167665951925114,1.0025902657285886,1.167412606880553,0.6873071141430733,1.625901579490651,3.6148617443793705,0.4731078202874607,1.295343203487735,1.15116708850484,1.213921795753325,0.9738175726556798,1.2015083744469874,0.3788143961460251,1.2794294638401793,0.7837852218652266,0.10753196029519872,0.07909607557092105,0.007001315095867284,0.006091237800114488,9.063053492108361E-18,2.658874579803154E-54,1.5356386777405527E-112,1.742136694805655E-192,3.8722587050750814E-294,0.0,0.0,0.0,1.4707762011917132,6.615172933432378,1.1965285841624649,8.651127759716907,1.6731058533941272,1.5758826546459987,1.6872129222731778,2.9395935443744903,5.035633008987031,0.8203620557783433,1.7896722769538402,2.151427783278665,1.8420454996852618,1.6178771614682783,1.6110087749609123,0.8959755660146344,2.0254450909026396,1.1936596885534665,0.48407130380448693,0.26029410392097074,0.0720483078401998,0.06347539424622241,9.444400503874078E-17,2.770752312462533E-53,1.6002539005700477E-111,1.815440755432686E-191,4.035192123403681E-293,0.0,0.0,0.0,5.124182346229372,6.615396408475794,4.386498401745787,24.661553517377882,8.712223608189035,4.101248291017522,5.544285802878686,10.486040528747896,12.269917206136537,2.8394351877753086,4.263920991211907,7.559496125603031,6.399940541596888,4.819165175214601,3.8161593829506675,2.8559225696878703,5.988233160927775,3.2323845120902557,3.455026227154321,0.9691450123470269,0.8711034971778855,0.7705693894956283,1.1465176414962656E-15,3.363597726665428E-52,1.94265303247588E-110,2.203882451131843E-190,4.898584038670687E-292,0.0,0.0,0.0,2.167596818300301,6.615196717138319,1.780907106412396,10.415824968004765,2.4569252449715115,1.9300871898275829,2.39168106336844,4.038513557887897,6.159272604685736,1.1125432044787642,2.177628519127767,2.9645268042972153,2.433898539601927,2.121777184326122,1.943265418048782,1.2578877066255771,2.6269293410294003,1.514439138864529,0.8555586162177433,0.3886461480033458,0.15621309961983385,0.13787703830566927,2.0514499917804347E-16,6.01844426895629E-53,3.475965308570318E-111,3.943379912025707E-191,8.764976501148312E-293,0.0,0.0,0.0,6.555821511607832,6.61555055360727,5.721516673721322,35.490271168064126,13.445048523034803,5.541251269297118,7.165976501285099,14.646155388147399,16.009969529338836,3.9589803576233162,5.530176935017708,10.450431798897297,9.16652719601504,6.4506253039389705,4.9924215029547465,3.6660479498315413,8.086502152292017,4.271820250750676,5.3088827622996755,1.2711176072060657,1.4253587433921555,1.2613083538436065,1.87668015205594E-15,5.5057130083890214E-52,3.179836276763162E-110,3.6074302773970854E-190,8.018259035730024E-292,0.0,0.0,0.0,3.0414746420511407,5.512113434339564,2.596062986062547,12.660589332685728,3.78304037258782,2.5447614796899964,3.2814283918853175,5.599828897234833,7.170015374020662,1.4787667422884743,2.65861797140386,4.270135306594033,3.294786068336938,3.0003574998711873,2.449901961066356,1.8540582486895816,4.021020093977619,2.2993907841811105,1.5566928015640793,0.632044061847349,0.31469391492268706,0.27797156694415637,4.135893660977608E-16,1.2133683784960363E-52,7.007834918275079E-111,7.95018160146267E-191,1.7670921004637831E-292,0.0,0.0,0.0,11.7405620437202,1.1837542367158436,0.7278458615417625,0.8599782160233946,0.08670818764128388,0.5647306944812248,0.3933041615179902,0.3975800905850019,13.652162141977806,23.304850178651208,47.0725704777497,0.7899673240350921,1.3556149465842169,11.019105418652583,0.6324053714690192,0.3371702513549975,0.9191257470717898,0.05275020407008245,0.4974501934195875,0.11393483567219241,0.08539956474709362,11.9886810414766,10.897084277310036,25.235350192928532,0.8786886206076847,0.6967845938388736,11.280715366480027,0.8325204165324813,0.4790413086904079,0.8958439593036687,0.06611357187184447,0.5213398393529983,0.19621494896656572,0.17224765734459263,12.592277091702917,15.194166177656106,32.28532420173593,0.8437659389555031,0.8898024456641567,11.719958333014638,1.1680324060964877,0.716711695095479,0.8614637761974777,0.08585504988037651,0.5627482994903296,0.3830608914175755,0.3855039864192343,13.604702434206605,22.926264820064837,46.342242305470165,0.7921956642962166,1.3313131773271394,11.407243136832625,0.9292331551380719,0.5475672597848327,0.885377567299384,0.07212278904563764,0.5331008964042272,0.24382219395200577,0.22501651483489227,12.884043551755529,17.355039050061045,36.04328927574212,0.8280663509490761,1.0019396051911253,11.806122148505041,1.233770492440187,0.7632663509880668,0.8553203042437356,0.08938319794484834,0.571062498943002,0.4267703769400486,0.437240375478799,13.803158991933296,24.518956410300476,49.439887522256384,0.7829804563656035,1.4350732513618496,11.761260347305859,1.1712747214685757,0.7171492357893321,0.8616507228210022,0.08580965649710744,0.5667187653448779,0.3849768013709464,0.3857711520183628,13.649684304563767,23.050224578800396,46.579117900016165,0.7924760842315034,1.337466718734187 +UMLCN0072,L,1-methylnaphthalene,CC1=CC=CC2=CC=CC=C12,Aromatics,,C11H10,NREL (2014),CFR,PubChem,,0,0,2.3942000000000005,5.732193640000003,53.4348,26.027929999999987,10,11,21,11,10,0,11,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1597.0659709999986,1852.2403319999994,2517.0946240000007,2459.6122470000014,1644.4880009999983,722.4320909999999,111.08160000000001,5.08032,0.0,4969.523363551928,6229.568984697142,8820.044139580887,9261.851041287051,7241.863585134992,4251.414070510152,1353.065352997172,155.4187221546513,0.0,150.130316,161.66251199999994,261.80339200000003,317.523228,314.1875880000001,260.2301880000002,150.99955200000002,33.59232,0.0,35.12402904849001,44.602243099999995,64.886491984547,70.78162796424496,59.39163101394305,38.86896108333905,15.132935147886005,2.223064524245,0.0,3243.914437232491,3052.7577502090003,5186.545964632047,6501.444746580846,6723.004104940946,5936.29583793344,3813.8275100426863,924.588260121245,0.0,50.333333333333336,62.22222222222223,90.77777777777779,103.66666666666671,95.00000000000001,68.66666666666666,30.0,5.0,0.0,76.05076052380946,84.19274236363634,69.91929511111113,55.900278340909125,37.374727295454505,19.525191648648647,5.0491636363636365,1.016064,0.0,236.64396969294896,283.1622265771428,245.00122609946908,210.49661457470572,164.587808753068,114.90308298676086,61.50297059078055,31.08374443093026,0.0,7.149062666666667,7.348295999999997,7.272316444444446,7.216437,7.140627000000003,7.0332483243243304,6.863616000000001,6.718464,0.0,1.6725728118328576,2.027374686363636,1.8024025551263056,1.608673362823749,1.349809795771433,1.0505124617118662,0.6878606885402729,0.44461290484899996,0.0,154.47211605869003,138.7617159185909,144.0707212397791,147.76010787683742,152.79554783956695,160.44042805225516,173.3557959110312,184.91765202424898,0.0,2.3968253968253967,2.8282828282828287,2.5216049382716053,2.3560606060606073,2.1590909090909096,1.8558558558558556,1.3636363636363635,1.0,0.0,0.05648703565467933,-0.0033365857100803313,-0.01570640418858205,0.0022453354280308094,-0.01570927141503286,-0.020846754503186342,0.012314004281347449,0.012796158280163644,0.0,634.1552852380952,27.452609750566364,25.530927068026635,-146.87146216553322,-365.9432879750568,-246.798961657596,223.4642433696153,166.08828899092995,0.0,1179.2388323006903,51.049300099597275,47.47584909262548,-273.1137555328437,-680.4871703276278,-458.93320789537734,415.54130281071895,308.8482656025616,0.0,0.12422666666666651,0.005377777777779207,0.005001333333334808,-0.028771111111110064,-0.07168577777777768,-0.04834622222222343,0.0437751111111091,0.03253555555555483,0.0,5.271746253970954,0.22821412354853443,0.21223913490013807,-1.220945560984608,-3.0420942669018487,-2.051644970701253,1.8576629656849903,1.3806954474685786,0.0,28.636209320447108,1.2396627411449137,1.1528863492647732,-6.632195665125183,-16.524704339461486,-11.14456804289265,10.090854712919432,7.499959583926616,0.0,4.57142857142857,-0.5510204081632663,-0.043083900226758454,-0.2290249433106588,-1.5147392290249453,-2.2607709750566922,1.1791383219954648,1.1337868480725626,0.0,0.002689858840699016,-1.5166298682183323E-4,-4.3628900523839026E-4,5.103035063706385E-5,-3.5702889579620133E-4,-5.634257973834146E-4,5.597274673339749E-4,0.002559231656032729,0.0,30.19787072562358,1.2478458977530165,0.7091924185562954,-3.3379877764893915,-8.316892908524018,-6.670242206962055,10.157465607709787,33.21765779818599,0.0,56.15423010955668,2.320422731799876,1.3187735859062633,-6.20713080756463,-15.465617507446087,-12.403600213388577,18.88824103685086,61.76965312051232,0.0,0.005915555555555548,2.4444444444450937E-4,1.389259259259669E-4,-6.538888888888651E-4,-0.00162922222222222,-0.0013066546546546872,0.0019897777777776863,0.006507111111110966,0.0,0.25103553590337874,0.01037336925220611,0.005895531525003835,-0.027748762749650182,-0.06913850606595111,-0.055449864073006845,0.0844392257129541,0.27613908949371574,0.0,1.3636290152593862,0.056348306415677896,0.03202462081291037,-0.15073171966193596,-0.3755614622604883,-0.3012045416998014,0.4586752142236106,1.4999919167853233,0.0,0.2176870748299319,-0.025046382189239377,-0.001196775006298846,-0.005205112347969518,-0.03442589156874876,-0.06110191824477547,0.05359719645433931,0.2267573696145125,0.0,-0.05638325124244083,-0.1621977326977543,0.018971386105823513,-0.13273146173849776,-0.2094629609771629,0.2080880449431012,0.9514371599394633,0.0,0.04132231404958598,0.023484848484847956,-0.1105371900826449,-0.275413223140496,-0.2208845208845206,0.3363636363636376,1.1000000000000016,0.0,0.041322314049587014,0.023484848484848626,-0.11053719008264457,-0.2754132231404959,-0.22088452088452112,0.336363636363636,1.0999999999999994,0.0,0.041322314049597804,0.02348484848485544,-0.11053719008264075,-0.2754132231404959,-0.22088452088452667,0.3363636363636213,1.099999999999977,0.0,0.041322314049588284,0.023484848484849455,-0.11053719008264401,-0.2754132231404955,-0.22088452088452126,0.33636363636363414,1.0999999999999965,0.0,0.04132231404958735,0.023484848484848882,-0.1105371900826444,-0.2754132231404961,-0.2208845208845215,0.33636363636363553,1.099999999999999,0.0,-0.11505681818181843,-0.005497685185185325,-0.02391098484848498,-0.15814393939393964,-0.2806869369369374,0.24621212121212127,1.0416666666666672,0.0,0.9584236053421334,1.0061417060930664,0.9041487505102186,1.0939785049507345,1.2349960925207522,0.8394086118228703,0.1228270278939585,0.0,0.8677685950413226,0.901515151515152,1.0413223140495875,1.2148760330578523,1.1867321867321876,0.694214876033058,0.0,0.0,0.8677685950413221,0.901515151515151,1.041322314049586,1.2148760330578503,1.1867321867321858,0.6942148760330576,0.0,0.0,0.8677685950413222,0.9015151515151514,1.0413223140495864,1.2148760330578507,1.1867321867321865,0.6942148760330579,0.0,0.0,0.8677685950413222,0.9015151515151514,1.0413223140495866,1.2148760330578512,1.1867321867321867,0.6942148760330578,0.0,0.0,0.8677685950413223,0.9015151515151519,1.0413223140495873,1.2148760330578516,1.1867321867321874,0.6942148760330579,0.0,0.0,1.0495580808080809,0.8641975308641977,0.9059343434343432,1.1213699494949496,1.3269519519519521,0.7954545454545456,0.0,0.0,36.07996324851516,18.039981624257578,25.29326090304193,36.07996324851516,3.279996658955924,18.039981713904183,0.0,0.0344684960812237,0.003133499643747609,-3.7044804821119746,162.7734029540095,14.797582086728136,5.60159497447366,36.07996324851516,18.039981624257578,25.29326090304193,36.07996324851516,3.279996658955924,18.039981713904183,0.0,0.0344684960812237,0.003133499643747609,-3.7044804821119746,162.7734029540095,14.797582086728136,5.60159497447366,36.07996324851516,18.039981624257578,25.29326090304193,36.07996324851516,3.279996658955924,18.039981713904183,0.0,0.0344684960812237,0.003133499643747609,-3.7044804821119746,162.7734029540095,14.797582086728136,5.60159497447366,36.07996324851516,18.039981624257578,25.29326090304193,36.07996324851516,3.279996658955924,18.039981713904183,0.0,0.0344684960812237,0.003133499643747609,-3.7044804821119746,162.7734029540095,14.797582086728136,5.60159497447366,36.07996324851516,18.039981624257578,25.29326090304193,36.07996324851516,3.279996658955924,18.039981713904183,0.0,0.0344684960812237,0.003133499643747609,-3.7044804821119746,162.7734029540095,14.797582086728136,5.60159497447366,36.07996324851516,18.039981624257578,25.29326090304193,36.07996324851516,3.279996658955924,18.039981713904183,0.0,0.0344684960812237,0.003133499643747609,-3.7044804821119746,162.7734029540095,14.797582086728136,5.60159497447366,40.86933404967965,19.79630442222559,28.39428691674172,40.83627619843998,3.712388745312726,19.796304438696566,-0.07272727272727053,0.07231310007800708,0.006573918188909734,-2.889424973229594,111.01277062388314,10.092070056716649,5.180609769896141,0,11.849999999999993,12.150126647608326,-0.1856262320736618,0.11698739507961353,6.4237724685766935,9.508234582391246,12.0,22.0,17.0,11.0,1.0,5.0,0.0,0.0,0.0,11.0,10.932069999999998,3.9943051393084454,3.3251038499888415,2.985816627461352,2.508420549306834,2.4685050060074003,1.9452008670335954,1.0456928084410442,0.80359391780636,2.115800137245688,1.6205114431855128,1.4080295814353767,1.0728908413390028,0.870843509438758,0.6879427519028364,0.30475504365134304,0.2425527789362719,4.0014354519556425,3.342192267730232,3.007297468260646,2.5404387783349773,2.496623639064823,1.9983287106199723,1.1399527199020019,0.9218932414453416,2.0952787240655533,1.5707055807467343,1.3351818482013074,0.9943610537200599,0.8010573033399637,0.5846044882020093,0.14892686827614582,0.0761297396250342,4.034186205839399,3.4215505656810308,3.114402387058396,2.713427750509856,2.600891763493068,2.2257129238791853,1.5515181897413335,1.4136940797577762,2.041049002215419,1.4382941132696365,1.138362307544868,0.7488477478158375,0.6224831025403137,0.2700776525378808,0.36987086277437586,0.4963091298116888,4.006755479298046,3.354996198652458,3.0237749262748697,2.5672777454195788,2.5149297607325605,2.037108583452418,1.2098799233082411,1.0082420437682742,2.0828152419756565,1.540337266047334,1.2898435806009774,0.9432239448268367,0.7590160903797799,0.5177730194189661,0.04453975146250537,0.036567747002250336,4.051150825551655,3.462972322854306,3.174332015356162,2.799284259535736,2.6547201740044835,2.3334451763246977,1.7402876445413555,1.6281307255389759,2.025644721041984,1.4007509856504352,1.0852358082642217,0.6682650072138692,0.5743086494164834,0.1689615287083914,0.5504777494699358,0.7047451511360041,3.9848692896835662,3.396385386753282,3.0407862224248707,2.621809377058515,2.516099551236537,2.0889665863270324,1.2877394960434532,1.1007058730635417,2.101712998997049,1.4913295415028027,1.2398737052707336,0.8790806420870085,0.7383691978177732,0.45099633536726685,0.05718487396676874,0.14831553957280386,0,0,0,7,3,1,0,0,0,0.0,0.0,0.0,0.15137471507731048,0.27130451414026263,0.0,0.0,0.0,0.051834038994012184,0.08176043536039068,0.5384516905501369,0.0,0.1642664266089148,0.0,0.299839684279443,0.0,0.06572292788290107,0.0,1.4401774752272036,2.343625285575563,3.032808548817897,0.6636751345948129,0.8913460352255523,0.9539231671625674,7.681798275874712,5.377010097711745,4.616578860258536,3.933153979908989,3.2599829620593215,2.5133776703357493,1.3714330794467864,0.8104803865521653,0.698345297806792,0.44808417480931206,0.2885361787661585,0.18729304666233282,0.12538396007920466,0.08377925567785831,0.05962752519333854,0.04052401932760826,6.5414518843273814,3.821367205045919,2.796046573604804,2.0076386318775863,1.3873573257964142,0.8811786628982071,0.40417254717232387,0.19612018500007478,0.594677444029762,0.3184472670871599,0.17475291085030026,0.0956018396132184,0.05335989714601593,0.029372622096606904,0.01757271944227495,0.00980600925000374,13.709139018929374,20.439184268026217,19.62745098039216,19.8,14.992772455089817,155.59744311377247,0.6528161437585416,0.9732944889536294,0.9346405228758172,0.9428571428571428,0.7139415454804675,7.409402053036784,2.867820000000002,47.58800000000002,77.56646342964605,94.7789086867937,155.13292685929213,14.102993350844738,77.56646342964605,0.02447261791322164,0.0022247834466565127,-4.081220464912321,146.76169783574915,13.34197253052265,5.487691185032145,99,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,1.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.858796296296298,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.054027777777778,0.0,0.0,0.0,0.0,3.054027777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1412037037037037,0.0,0.0,0.0,0.0,14.825833333333335,0.0,0.0,0.0,0.0,1.3500925925925928,2.6828703703703707,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.326388888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4222222222222222,0.0,0.0,0.0,0.0,0.4222222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1412037037037037,0.0,0.0,0.0,0.0,2.071203703703704,0.0,0.0,0.0,0.0,1.3500925925925928,1.326388888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1574074074074074,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.44305555555555554,0.0,0.0,0.0,0.0,0.44305555555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1412037037037037,0.0,0.0,0.0,0.0,2.1574074074074074,0.0,0.0,0.0,0.0,1.3500925925925928,1.3564814814814816,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.000000000000004,1.9090909090909094,0.44305555555555554,2.1574074074074074,0.1875,1.326388888888889,6.5240213888888885,0.3402777777777777,0.15740740740740738,1.9340740740740738,0.3402777777777777,0.15740740740740738,1.9340740740740738,5.5,0.5,0.0,0.0,0.50952,0.7,0.44194,0.44194,0.7,0.06759,0.06759,-0.0,0.0,0.71429,0.0,0.0,0.09091,0.27273,0.0,16.0,1.45455,6.0,0.54545,10.0,0.90909,4.0,0.36364,0.0,0.0,5.34393,0.48581,13.07157,7.72763,0.70251,2.11426,0.19221,5.37699,3.26273,0.29661,0.03701,0.00336,0.20901,0.019,0.47619047619047616,34.0,0,0,0,0,0,0,0.09090909090909091,0.998363672593813,2.199086165113526,2.7772628055933497,3.5225715891363607,3.9754180179138325,4.070656113151928,20.96563712447007,46.180809467384044,58.32251891746034,73.97400337186357,83.48377837619049,85.4837783761905,0.22729770562943674,0.500666494117425,0.6323001136462353,0.8019847497514961,0.9050844088127901,0.9267672896410715,3.3939537501849477,2.193231257665235,1.615054617185411,0.8697458336424,0.41689940486492816,0.32166130962683237,0.20880329705581854,0.4599290362724942,0.5808520948000466,0.7367300935698974,0.83144089884492,0.851359520522495,6.377551320619961,16.173219439404214,23.111339125162097,26.746499539589767,28.249763312639697,29.39262045549684,37.34828698075439,33.47770282218621,25.613962433306625,20.35711754135345,18.066562384774787,16.69952385747264,7.638888888888889,3.1640625,1.4512471655328798,0,10,0,2.67,1.2263000000000006,0.0,2.0318649002029145,1.6509636244473134,0.0,8.737028660947072,10.127365819889253,0.0,2.381101577952299,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.193,0.184,0.895,1.4000000000000001,5.845999999999999,16.0,21.0,26.0,30.0,23.0,20.0,17.0,15.0,3.0,194.0,2.917770732084279,3.56953269648137,4.22683374526818,4.8352893510387265,5.387643770127907,5.497168225293202,5.768125664217802,6.01874527106157,6.290099599665153,4.756431651409297,7.649501943330785,10.81752375966495,0.4,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,3.0,0.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.08333333333333333,0,3.0,5.0,0.6666666666666666,1.5,1.333333333333334,0.6875,0.4355555555555556,0.0625,0.0,0.0,0.0,0.0,0.0,0.125,0.08333333333333337,0.04583333333333333,0.04839506172839506,0.020833333333333332,0.0,0.0,0.0,0.0,0.0,0.3233950617283951,25.96497222221008,36.728953138083256,51.92994444442016,4.720904040401833,25.964972222240704,0.018645902775404177,0.001695082070491289,-4.380341732090083,117.17019805664754,10.651836186967957,5.239990318215897,0.0,139.11707867973357,4.459431618637298,4.04305126783455,4.875197323201151,5.726847747587197,6.57507584059962,7.4318919168078,8.283241441385425,9.140883106960962,9.992916837362552,10.850637211996267,89.91974269373553,3.2188758248682006,0.0,4.48863636973214,0.0,5.998936561946683,0.0,7.617267813628347,0.0,9.284055409798464,9.497172082973124,142.07825032,6.765630967619048,22.508232681078443,2.046202971007131,0.0,0.0,0.0,140.0,15.0,3.6159999999999997,56.0,1.2538412443442224,2.221343526596678,3.1110390945876842,4.027200374035185,4.8927075290188915,5.850412891153526,6.659530480796889,0.0,0.0,0.0,114.52946014713817,166.43481094016454,181.69386440782984,160.9866712034658,97.8782537008528,29.193491315276493,6.76650917844041,0.0,0.0,0.0,375.9871848949917,572.102005051084,677.7461720438387,692.2066715741261,576.6180571392263,357.20658984125606,207.00314349508062,0.0,0.0,0.0,9.242283752437523,16.201790866531315,22.50508133483342,28.821187842310255,34.47549002788451,40.14252769881421,44.74181579213659,0.0,0.0,0.0,2.655656984908874,4.162004759520248,5.146276117300851,5.613653793019975,5.251471002715371,4.003388683597192,2.960913191997562,0.0,0.0,0.0,172.19913888237164,316.8475520516093,455.73246116591616,610.734758095853,779.9361732996042,1015.1954512764951,1231.4647400928786,0.0,0.0,0.0,3.6395946364831744,5.7600377705426204,7.503889906357429,8.915579930570997,9.241762898373246,7.9466212657309745,6.659530480796889,0.0,0.0,0.0,0.5433613817618069,0.856794993811756,1.0680226403185331,1.178985043796455,1.1248913844952508,0.8875205523959782,0.6819359212336014,0.0,0.0,0.0,269.51291406156963,139.5493015571512,13.967554504165458,208.12717535812928,-107.76478766303063,-10.823220328847514,61.38573870344035,247.31408922018184,24.79077483301297,0.5642594079341414,0.29216413079290393,0.0292428437511079,0.43574059206585875,-0.2256192267989015,-0.0226597820589076,128.73017237213173,66.65434087421421,6.671463982344107,99.40988264872621,-51.47278281566481,-5.169603925679828,0.12045582067146024,0.11813114898683028,2.0731595348016034,4.2909004572842875,477.6400894196988,0.0,1.0,0.0,913.6407562240646,30.226490967759798,9.703427265989227,1011.99730309718,31.81190505293859,10.039832139729564,1615.4791311683964,40.19302341412495,11.733667681368173,1.2405448766978533,1.1479784198405545,681.3991561780441,429.0606965268477,255.709677985006,1.5881183284645293,2.664737453613309,1.677921226556026,4.3165225432301195,3.8068016193639624,7.114486624072359,0.8688881994489228,3.3607591227625506,3.6058642351667745,5.1565684049670555,10.916909889769576,0.3050280753909094,5.816834018221657,5.082298264097269,5.882073083154112,6.87746479435687,0.732979563511051,10.928270864037904,0.14205917336400378,1.3565981610312214,3.9567976344123947E-7,8.870986405823817E-35,4.27469597287261E-84,3.9933734206669886E-155,7.197237427104025E-248,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2821783171682407,3.6058026671557966,0.42034292636293447,7.2616479756474845,0.156973315857022,0.5485708374205032,1.1293226701717756,0.3870692841002449,2.7723725632126186,0.01860939986826492,0.535913922205329,0.0010005356055059714,0.009554631770778452,2.7868049267853617E-9,6.247908259495077E-37,3.0107033258677222E-86,2.8125655521074322E-157,5.0690731683264645E-250,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9105822926038233,3.6058070066920784,1.364958346864788,7.72360222305737,0.18719387302075813,1.325632182168253,1.925500619398363,1.3007271921586478,3.481508168604883,0.08834440618006141,1.9811922739827559,0.01042634275327872,0.09956662971132818,2.9040655974995916E-8,6.510802122652727E-36,3.1373849920007194E-85,2.9309101552398417E-156,5.282365068991764E-249,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1722906118365772,3.6058575552915775,4.858784431469732,10.592610046876748,0.29596406544869147,5.388784829592805,4.836511567293236,5.472093086921163,6.580588378712859,0.6623306273698508,10.052903584252665,0.12657216674726868,1.208704537906221,3.5254354558872146E-7,7.903889178408576E-35,3.808677152159031E-84,3.5580238229463375E-155,6.41260897178005E-248,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3419619214107787,3.60581242865401,2.0199837673370147,8.125093100826705,0.20793950903480182,1.9476329145554199,2.4752314395938173,1.9896810960058342,4.006551283785508,0.15880597111847025,3.1740558522857323,0.022647406665487892,0.21627202448596322,6.308018538261487E-8,1.4142332226932905E-35,6.814819440801797E-85,6.366328504821033E-156,1.1474002794480487E-248,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.058573188131562,3.605892272648412,6.268025209540391,12.231787469994561,0.33858825568585826,7.521528763352972,5.996637174816774,7.483588813517683,8.028400865013884,1.0251215380731196,14.440904020802536,0.20717994938842238,1.9784709226351138,5.770617483725277E-7,1.2937499963638736E-34,6.234242333783642E-84,5.8239598305276835E-155,1.0496494379737523E-247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8443052733540166,3.1926848182618586,2.7050102734653545,8.281865415781786,0.24073601220405738,2.42132109136922,3.0527000226710803,2.684172070522208,4.872197247558662,0.24908232929696242,4.636385960709153,0.03897769141963237,0.37221854304938257,1.0856519586482984E-7,2.4339894673575546E-35,1.1728757657995137E-84,1.0956874918383345E-155,1.9747522192280873E-248,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.287421454100487,3.0482288674255313,0.07963794616172981,0.5781867540852057,0.4110735493194841,0.545176849579555,0.5517459984523753,0.0952434831210919,7.415288267687748,13.653237968575619,22.109317886958213,0.48389045510703466,1.1921663311530222,3.0182822974167216,1.8159108062052827,0.011855768823338941,0.6228336479598233,0.37471987055899497,0.2706868579124528,0.1947576982724291,0.0021108367390240443,4.846048872445343,5.538244515941054,10.449274044476283,0.4963302777782274,0.46755539292390597,3.408070956997159,2.2082730659726413,0.03304977258024771,0.6032631252722461,0.39088672977834693,0.3442831917649643,0.2908369150147861,0.01640333415856988,5.649393795550048,7.7115701939520145,13.609694968458738,0.49122478257588964,0.6515234409383203,4.241322985645577,3.005623735773498,0.07723433800368172,0.5790849449562693,0.410369939162916,0.5334022371400612,0.53698443008366,0.08958102436038369,7.324181059422757,13.307534169314819,21.61628474749945,0.4841823261787779,1.1599676915841048,3.622080186521827,2.41825109216391,0.0445385876938853,0.5952600903652346,0.39742034673992493,0.38864766330351913,0.3495370964256249,0.029789832321794642,6.084869866379622,9.02812719131753,15.50311497297203,0.48902065565773933,0.7679745920509387,4.439125588467821,3.187420069774429,0.0875203590664366,0.5754585945346317,0.41319585062177994,0.5849238626056179,0.6009308646108434,0.115030590145859,7.714066017308687,14.81683600737749,23.769258916787102,0.48298166773461754,1.3008853173623203,4.2448653770422755,3.006811368472724,0.07708250603248161,0.57920655207032,0.4102756367440819,0.5342561626349548,0.5375921327425455,0.08922916331165398,7.32875925154748,13.322486889808737,21.63508943732958,0.48422328322160285,1.1610774586891544 +UMLCN0073,L,2-phenylundec-2-ene,CC(=CCCCCCCCC)C1=CC=CC=C1,Aromatics,Olefins,C17H26,Creton (2011),Unknown,UML,,23,0,0.7009000000000016,0.49126081000000227,72.1564,47.256617999999975,0,0,43,17,26,0,17,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2478.9077209999973,2767.2743450000007,3311.153179000003,3238.686882000004,2829.0926310000036,2497.216357000001,2146.1205469999963,1913.0425539999958,1714.2536969999965,8007.964684942787,10182.939355372091,13728.79416388323,14479.149849527394,13406.988632589513,12256.427085763427,10773.542711550304,9422.534517483613,8353.568683666605,302.8688360000001,313.2472040000002,558.0209080000008,733.4755920000018,718.3708440000017,708.4116040000015,644.3054840000009,560.0676880000001,483.74585999999977,58.97123552607404,76.36345205999999,109.99210602303684,121.88348007456369,115.29925578971468,107.49034307395969,95.45559571426176,83.09343392486585,73.18267925577194,6963.363006160475,6136.690294065403,11856.659436818636,16595.46126813796,16336.40564326951,16394.91500035916,15005.878245566166,13067.55544738887,11218.764988301775,79.30555555555556,96.6111111111111,148.75,177.66666666666669,171.25,162.33333333333334,144.41666666666669,125.66666666666667,111.66666666666666,57.6490167674418,64.3552173255814,42.45068178205132,31.141220019230808,27.736202264705916,24.724914425742586,23.32739724999996,23.91303192499995,24.844256478260817,186.2317368591346,236.81254314818815,176.01018158824655,139.22259470699416,131.4410650253874,121.35076322538048,117.10372512554679,117.78168146854516,121.06621280676238,7.043461302325584,7.284818697674423,7.154114205128215,7.052649923076941,7.0428514117647225,7.013976277227737,7.003320478260879,7.000846100000001,7.010809565217388,1.3714240820017218,1.775894233953488,1.4101552054235493,1.171956539178497,1.1303848606834772,1.0642608225144523,1.0375608229811062,1.0386679240608232,1.0606185399387238,161.93867456187152,142.71372776896285,152.00845431818763,159.571742962865,160.16083963989718,162.32589109266496,163.10737223441484,163.34444309236088,162.59079693190978,1.8443152454780363,2.246770025839793,1.9070512820512822,1.7083333333333335,1.678921568627451,1.6072607260726073,1.5697463768115945,1.5708333333333333,1.6183574879227052,0.08701694276402482,-0.0040155271231909935,-0.027840829230697545,-0.00517695174281836,-0.013898849576660622,-0.002757271264055908,-8.935757332186211E-4,0.007362679173872042,0.002357279557650786,1244.445952976745,-1.4850343177386094E-12,-244.29274179502576,30.904897916711192,-178.68531020064958,-56.833583457003925,-38.500169438615444,44.13114660140626,2.095247316387308,2314.1003893054994,-7.105427357601002E-14,-454.27278504150206,57.468977362528875,-332.27296445410195,-105.68447531922197,-71.5927090872147,82.06375157276258,3.896201855087341,0.24377841860465083,2.194425197110661E-15,-0.047855270957272364,0.006054057328285768,-0.03500322552731194,-0.01113330881557651,-0.0075419188750683085,0.008644988642508768,4.104445646290764E-4,10.345105439610654,1.8596235662471372E-14,-2.030810712153374,0.2569130678467978,-1.4854147503260826,-0.47245877731149033,-0.3200527201142378,0.3668631519676665,0.017417835108255286,56.19477693708037,-6.59472476627343E-13,-11.03139601979678,1.395555862059362,-8.06879649906832,-2.5664035768379696,-1.73853145527724,1.9928064640427192,0.0946139567499229,6.808785529715769,0.30943152454780254,0.8726939486809684,1.7770716904032215,-0.4372483624782135,-0.6522895258698354,-1.0650501772729954,-0.4439937503755753,-0.5284387957454462,0.0020236498317215074,-9.338435170211613E-5,-3.5693370808586596E-4,-4.9778382142484225E-5,-1.362632311437316E-4,-2.729971548570206E-5,-9.712779708898056E-6,9.203348967340053E-5,3.416347185001139E-5,28.94060355759872,-3.4535681807874635E-14,-3.131958228141356,0.29716247996837686,-1.751816766673035,-0.5627087470990487,-0.41848010259364615,0.5516393325175782,0.030365903136047943,53.81628812338371,-1.6524249668839539E-15,-5.824010064634642,0.5525863207935469,-3.2575780828833523,-1.046380943754673,-0.7781816205132033,1.0257968946595324,0.05646669355199045,0.005669265548945368,5.103314411885258E-17,-6.135291148368252E-4,5.8212089695055465E-5,-3.4316887771874456E-4,-1.1023078035224268E-4,-8.197737907682943E-5,1.080623580313596E-4,5.948471951146035E-6,0.2405838474328059,4.324705968016598E-16,-0.0260360347711971,0.0024703179600653632,-0.01456288970907924,-0.00467780967635139,-0.0034788339142851933,0.004585789399595831,2.5243239287326503E-4,1.3068552776065203,-1.5336569223891697E-14,-0.1414281540999587,0.013418806365955403,-0.07910584803008157,-0.025409936404336333,-0.018897081035622175,0.02491008080053399,0.0013712167644916362,0.1583438495282737,0.007196081966227966,0.011188383957448313,0.01708722779233867,-0.004286748651747192,-0.006458312137325103,-0.011576632361662995,-0.005549921879694691,-0.007658533271673133,-0.0461464974020108,-0.1763811616470348,-0.024598318030218714,-0.06733538036460253,-0.013490335658752952,-0.004799634579385431,0.045478959961718364,0.0168821064368378,-1.1933297016124895E-15,-0.1082202111613882,0.010268012530455782,-0.06053145239996467,-0.019443573316607714,-0.014459964587841809,0.019061085972850708,0.0010492491310905986,-3.0704922701013246E-17,-0.10822021116138726,0.010268012530456233,-0.06053145239996406,-0.019443573316607284,-0.014459964587841496,0.019061085972850913,0.001049249131090762,9.0017205365069E-15,-0.10822021116138363,0.010268012530456337,-0.060531452399964394,-0.01944357331660862,-0.014459964587843195,0.01906108597284917,0.0010492491310894066,1.7975878323354484E-15,-0.10822021116138672,0.01026801253045599,-0.06053145239996462,-0.019443573316607978,-0.014459964587842156,0.019061085972850375,0.0010492491310904336,-1.1735476365814829E-14,-0.10822021116139316,0.01026801253045531,-0.06053145239996457,-0.019443573316606358,-0.01445996458784006,0.019061085972852568,0.0010492491310920002,0.04544592030360511,0.07065878460565357,0.10791216610713758,-0.027072403914127113,-0.040786630845247404,-0.07311071693754599,-0.03504981024667904,-0.04836647141324951,1.2312890501288354,1.1946681481481143,0.9799775293062111,1.0161412935951155,0.9414978407529806,0.9150615275914245,0.8643684317836936,0.9146552901602102,1.2352941176470589,1.2048381482770625,0.9822050121823879,1.0415224913494812,0.9709242417454417,0.9548740901042693,0.919343891402715,0.9474719653747787,1.2352941176470575,1.2048381482770607,0.9822050121823865,1.0415224913494796,0.9709242417454402,0.954874090104268,0.9193438914027139,0.9474719653747775,1.2352941176470587,1.2048381482770625,0.9822050121823882,1.0415224913494816,0.9709242417454418,0.954874090104269,0.9193438914027148,0.9474719653747785,1.2352941176470587,1.2048381482770611,0.9822050121823865,1.0415224913494796,0.9709242417454403,0.9548740901042683,0.9193438914027146,0.9474719653747785,1.2352941176470589,1.2048381482770614,0.9822050121823869,1.04152249134948,0.9709242417454409,0.9548740901042685,0.9193438914027144,0.9474719653747783,1.1795066413662225,0.9039665742227404,0.8180183549846727,0.9760073668936253,0.9551336727600643,0.9582408629651009,0.9188496204933578,0.9982839699694736,151.85683792075008,75.78096005620326,120.31201385968902,151.85683792075008,8.932755171808829,75.78096005620326,0.0,0.35605684205912114,0.02094452012112477,-1.755530316689682,112.14867263401244,6.596980743177203,8.02370322295124,151.85683792075008,75.78096005620326,120.31201385968902,151.85683792075008,8.932755171808829,75.78096005620326,0.0,0.35605684205912114,0.02094452012112477,-1.755530316689682,112.14867263401244,6.596980743177203,8.02370322295124,151.85683792075008,75.78096005620326,120.31201385968902,151.85683792075008,8.932755171808829,75.78096005620326,0.0,0.35605684205912114,0.02094452012112477,-1.755530316689682,112.14867263401244,6.596980743177203,8.02370322295124,151.85683792075008,75.78096005620326,120.31201385968902,151.85683792075008,8.932755171808829,75.78096005620326,0.0,0.35605684205912114,0.02094452012112477,-1.755530316689682,112.14867263401244,6.596980743177203,8.02370322295124,151.85683792075008,75.78096005620326,120.31201385968902,151.85683792075008,8.932755171808829,75.78096005620326,0.0,0.35605684205912114,0.02094452012112477,-1.755530316689682,112.14867263401244,6.596980743177203,8.02370322295124,151.85683792075008,75.78096005620326,120.31201385968902,151.85683792075008,8.932755171808829,75.78096005620326,0.0,0.35605684205912114,0.02094452012112477,-1.755530316689682,112.14867263401244,6.596980743177203,8.02370322295124,180.6449513375439,89.81147872438864,145.6732314790748,180.40404399421433,10.61200258789496,89.81147872438864,-0.3150326797386498,0.5012764482388765,0.0294868498964045,-1.174015813217937,510.2832772995765,30.016663370563325,10.599442229241632,0,11.849999999999998,12.15022023160324,-0.20781140818715468,0.0924982045147176,5.132066752413009,9.579355961994645,17.0,43.0,39.0,39.0,13.0,4.0,4.0,0.0,0.0,4.0,28.423381999999993,3.794894342582414,3.5107914188455798,3.3721499363184857,3.1492886235229878,2.8304016297226195,2.6491145699896723,2.503951927240364,2.4262087467487463,1.9821663260647069,1.9062740214691485,1.7710246970021528,1.614692944999268,1.4438561718094232,1.2173524298067475,1.102295258045525,1.0294113832428566,3.805514455432235,3.537205539896262,3.397175499713942,3.1808740592897973,2.8713807458695397,2.6752034149301314,2.538590340835734,2.4810616158062846,1.9488590030932404,1.8497184565240787,1.7095477837805146,1.546861375516087,1.3560217276737245,1.114393068564946,1.0287247631134389,0.9418392634446909,3.854672847384582,3.6549170609345083,3.5104859100118495,3.3193915832153977,3.0546023623995393,2.798488620208562,2.7433826569053688,2.670507145755161,1.8650586324730476,1.6785714423021656,1.5337996649167263,1.3469534204681481,1.0913796564709586,0.8246948558096812,0.7898912836545945,0.7023801491490989,3.8134572283102295,3.556775836390492,3.4157720410598995,3.2041288919286535,2.9018038543326212,2.6948930824931483,2.5661335309430093,2.519574693769282,1.9292116852675654,1.813039986099042,1.6707381148548872,1.5036446415983218,1.2994232333331626,1.0468408285612576,0.9828188289357085,0.8880792824837198,3.880410010613632,3.712633554903444,3.5677587222533695,3.3865799033697366,3.1442475970559363,2.8632784789217,2.8563960499119934,2.748334147247762,1.8417903257815753,1.6249346325477536,1.4812317783624696,1.2843651419535942,1.0079329532563905,0.7659657083861979,0.6847259690994231,0.6294315282570491,3.897772396230683,3.528651799240958,3.4208824661662063,3.204756719510107,2.9127510166126904,2.839531891969811,2.6490796507159198,2.588681509331762,1.894876234372357,1.8154139882951779,1.6547112914370175,1.4435663217044317,1.245116801480242,0.9785306208302735,0.8326412136082313,0.7766412005398505,0,0,0,6,2,2,7,0,0,0.0,0.0,0.0,0.10206207261596577,0.05892556509887897,0.0,0.0,0.0,0.032075014954979206,0.016037507477489603,0.4023689270621825,0.0,0.11785113019775793,0.0,0.2276709006307398,0.0,0.048112522432468816,0.0,1.0202200572599402,1.3249579113843053,1.5303300858899103,0.4963996399133722,0.5553795833372139,0.56265812507104,12.347088693804373,8.342535255101096,6.28536945870246,4.717587105472108,3.3623242702171936,2.3962510313013192,1.290855434315641,0.8502726311360956,0.726299334929669,0.49073736794712325,0.3308089188790769,0.22464700502248136,0.1528329213735088,0.10418482744788345,0.0717141907953134,0.05001603712565268,11.41384908344359,7.0647138087681824,4.809604338469772,3.2373321905806285,2.0621317710314284,1.3052616212684887,0.7108687261408403,0.4287894596138837,0.6714028872613876,0.41557140051577546,0.2531370704457775,0.1541586757419347,0.09373326231961038,0.05675050527254299,0.03949270700782446,0.025222909389051983,24.043761449216326,41.5418790968682,39.43137254901959,39.88,27.38120838323357,326.33809461077846,0.5591572430050309,0.9660902115550745,0.9170086639306881,0.9274418604651163,0.636772287982176,7.58925801420415,5.657790000000006,77.02400000000006,105.14102942866496,158.9461226611038,210.28205885732996,12.369532873960583,105.14102942866496,0.12142977254828968,0.007142927796958217,-3.5843126179473606,148.49886119237294,8.735227128963114,8.500981392107706,342,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,8.0,2.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,7.0,0.0,6.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.82586229146322,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.333610000266781,0.0,0.0,2.0045899810189685,0.7211437074829932,0.0,2.333610000266781,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.484497860745155,0.0,9.522973181124959,0.0,13.050268609418417,0.0,0.0,0.0,0.0,2.775593682044801,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.359706467591118,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.28728028943058703,0.0,0.0,0.21535884776352643,0.3448937074829932,0.0,0.28728028943058703,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2146986803980853,0.0,1.229020455404384,0.0,2.07391912131433,0.0,0.0,0.0,0.0,1.359706467591118,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.384081396447468,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4219038180276421,0.0,0.0,0.3448937074829932,0.37625000000000003,0.0,0.4219038180276421,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.26979918034707,0.0,1.4145651734829223,0.0,2.384081396447468,0.0,0.0,0.0,0.0,1.415887214453683,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,29.833333333333336,1.754901960784314,0.4219038180276421,2.384081396447468,0.11255806720836481,1.229020455404384,9.790092650612978,0.30696019907554895,0.38408139644746786,3.069532940327146,0.30696019907554895,0.38408139644746786,3.069532940327146,8.5,0.5,0.0,0.0,0.45814,0.7,0.43333,0.43333,0.7,0.02481,0.02481,-0.0,0.0,0.71429,0.0,0.0,0.11765,0.11765,0.0,14.5,0.85294,8.5,0.5,6.0,0.35294,-2.5,-0.14706,0.0,0.0,16.4774,0.96926,23.23324,6.75584,0.3974,5.94598,0.34976,8.34252,2.39654,0.14097,0.07148,0.0042,0.15748,0.00926,0.13953488372093023,17.0,0,0,0,0,0,0,0.5294117647058824,0.9681647320759545,2.424689117938425,3.5450123595955607,4.210807487109298,4.469999278451778,4.422514534731628,41.631083479266046,104.26163207135228,152.4355314626091,181.0647219456998,192.20996897342644,190.16812499346003,0.17842194877000742,0.44684312829323797,0.6533061912476075,0.7760047984132081,0.8237709512014367,0.815020043188885,4.458100022626144,3.001575636763673,1.8812523951065372,1.2154572675928002,0.9562654762503202,1.0037502199704695,0.17429998113785547,0.4365199986325005,0.6382132781123612,0.758077258200221,0.8047399002541323,0.7961911588462408,6.793830488426039,19.092227907317074,23.382086433156132,26.291120620683863,26.359367212251982,26.311510898892713,65.3986102939672,42.2962526062925,31.11798850973755,23.536445165982435,22.827499189201234,23.14384775310325,15.058823529411764,9.97229916897507,7.111111111111111,11,8,11,3.33,2.2233000000000005,0.09999999999999998,5.106677748996739,1.0920483450836267,0.0,19.638865584648318,7.9337770217167325,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.151,0.136,0.6290000000000001,0.808,8.327,19.0,21.0,22.0,23.0,18.0,17.0,14.0,13.0,12.0,193.0,3.091042453358316,3.4011973816621555,3.784189633918261,4.0943445622221,4.465908118654584,4.276666119016055,4.465908118654584,4.30406509320417,4.290459441148391,4.2626798770413155,6.4425401664681985,3.2487046632124352,0.46153846153846156,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.47058823529411764,10.0,0.5882352941176471,1,7.0,13.0,0.8571428571428571,1.5,1.1111111111111116,0.5625,0.2711111111111112,0.20833333333333337,0.10122448979591836,0.07465277777777779,0.05744520030234315,0.045625,0.020610141822263034,0.08823529411764706,0.058479532163742715,0.03125,0.01807407407407408,0.016025641025641028,0.009202226345083487,0.007465277777777779,0.0063828000335936835,0.005703125,0.002944305974609005,0.2588228173699125,84.09400662520557,132.49065928797216,168.18801325041113,9.893412544141833,84.09400662520557,0.23011223539598635,0.013536013846822726,-2.4976197854698383,159.8147050370719,9.4008650021807,8.625825586031969,0.0,268.78590383653386,5.08746284125034,4.290459441148391,5.030437921392435,5.7899601708972535,6.55250788703459,7.324489979348532,8.098338846189057,8.878079256126435,9.659184203386292,10.444386409308262,100.06784411483126,3.5553480614894135,0.0,4.709530201312334,0.0,6.052089168924417,0.0,7.48605261786314,0.0,8.972717499397138,9.235228087483963,230.203450832,5.353568623999999,33.52587842190856,1.9721104954063857,0.0,0.0,0.0,688.0,18.0,7.7310000000000025,72.0,1.2395875143234698,2.1681234296408105,2.9623405403390928,3.7598596489062155,4.814255339978909,5.900252930561686,7.0627575308844595,8.239210957429796,9.39497063585916,10.581616116208862,91.40857619815779,102.61666720874632,105.4044285049159,126.32756980695046,140.44795809650174,160.66279924670897,193.34926749063632,230.38670750623007,264.10013216756295,303.12605481041567,320.73382994196925,410.18005266934324,447.61262595501626,558.7997500178171,648.7792007339585,759.9645222835829,905.5844840853536,1073.9261473164956,1230.0806669924511,1412.1072138412824,9.0673995600011,15.569116220202362,20.96250152287663,26.633157427815796,33.927108217652716,41.49093811002081,49.62795345044103,57.94912286530612,66.09659065130494,74.54765432410922,2.3488688931357427,3.226742185287783,3.6792475490831595,4.649367180973156,5.528049770118018,6.553078089700952,7.797593217659132,9.214512922703683,10.545345462679823,12.071904320638918,174.58831129390109,325.4917554406065,467.8025989324731,591.0802712558979,769.7676079003304,949.9862646101817,1140.2955819994115,1326.0919024720802,1510.6803480287667,1693.485690608483,2.885609803762417,4.285216112462136,5.237948500982276,6.639925615623314,8.070783693940127,9.599517301656187,11.476639729126283,13.74976834239095,15.875603482072554,18.233915001151825,0.48394020639575214,0.6741390246109369,0.775840150319348,0.982022081127655,1.1729806595724215,1.393568551479762,1.6581672662162987,1.9580473361052682,2.240422595178016,2.5629172028444724,505.02423993364306,454.3273014778385,18.0918119526566,104.88125261700836,-94.35273143198408,-5.79416250428767,400.14298731663473,548.6800329098226,23.88597445694427,0.8280368780113943,0.7449142646311019,0.029663303862039102,0.17196312198860578,-0.1547005767031165,-0.00950009890885919,308.0170578067469,277.09671658704934,11.034295480118784,63.96765203670577,-57.546249137523574,-3.533891536096087,0.0693095847795214,0.08951831845482257,1.570068459518842,0.5911983832261198,609.9054925506514,0.0,1.0,0.0,1151.1926787134146,33.92923044681996,10.480516184760601,1411.8965117846935,37.57521140039925,11.218486984591534,2062.761783547838,45.417637362018716,12.729646950240163,2.821347284030302,2.821347284030302,5582.369357891953,5408.922035656491,271.45983756376427,1.0320668926436856,20.56425513251362,19.92531228265385,7.418847821731576,8.541038363688575,16.98366486863186,0.9884777641131225,10.76114760138312,11.88868094197859,4.51021107076376,49.906150392235666,23.61319841789718,7.292444014892081,12.782064811850859,12.643203626601311,37.118909495445514,3.3214468107671937,11.673939477474386,24.645019365023526,8.562084295827729,27.49476423619585,2.1171916694577444,11.891633152910833,11.101627383251026,6.536704751639867,17.50887619527242,1.6059968907057087,13.428643157121112,5.4163344209209345,4.503907992641462,10.492006056385662,5.082802591381759,8.473190504891399,4.397809219965124,2.303274204059245,5.337288234401116,0.7803878104529315,0.9031138508838298,11.877303239108393,0.3734237038914842,16.106897421900722,2.7332195966127406,0.8362164933123646,1.5540137623964845,2.737873823407579,9.34406941459153,0.30559969261275205,1.4327814855945655,1.9040423721791864,0.5485119298706977,6.471026975236589,0.11022397300973182,1.4126536162131502,1.9013275641890492,0.36284944499177346,4.289348062935502,0.9554722084319364,1.8050307977177245,2.2901497566430926,0.22904778497427045,2.2058610574383373,0.7935171921291579,1.8117497737767099,1.4808140693207161,0.10316037532960222,1.2791568288103268,0.027144722873968002,2.915348705182548,11.878063756559254,1.2088089205945531,18.56130907424443,4.356606121751203,2.090068210987426,3.6711607508811945,3.582883641674055,13.142161370906269,0.6751571392008857,2.6711190073213276,5.8499102096350075,1.861800605640234,9.798549147813514,0.2595668197622986,2.6910640077817645,3.1104399104648586,1.2930623284719358,6.365107001803347,1.0145838247265717,3.237587861565067,2.7864100826029703,0.835946699827066,3.5297964681056495,1.1771858855970052,2.6668806407309646,2.0654936984492225,0.39002684118156794,1.9920041123763454,0.11289494486401026,10.157645839065104,11.887431853633082,4.253768483088862,46.26458382307257,21.401469763261836,6.87455661849293,12.032875196135029,11.620465569057872,34.75653380183267,3.049777568791736,10.745537960446386,23.006593479093155,7.9574262000157585,25.866720541433022,1.9022332283118581,10.945675407785211,10.301769344084716,6.042001763138474,16.479320787949018,1.540108694812409,12.384488303164446,5.174766050635918,4.148211372039208,9.85474488060667,4.646209750533062,7.886867148665158,4.215432961802845,2.111195450852432,5.047990900762151,0.7102176878069059,4.296684849528411,11.879049592625792,1.7849532869114162,21.565919988793915,6.254483535768945,2.969801614380251,5.176398998203332,4.512396178003931,16.305073510192607,1.0019014797500752,3.7742053669969495,8.765296546369596,2.859074869240391,12.368981998867753,0.43938100673362174,3.8241745230909605,4.139057492090218,2.0296089160465436,7.9749217537280535,1.0770375328202597,4.50011962581291,3.1691985909567144,1.3314529930215744,4.547738185366291,1.5866075834735145,3.403730684553931,2.4700472394526605,0.6351192428942304,2.5156469097411605,0.19195120838793958,12.995642988179647,11.893933136935724,5.4633261752056805,65.17457501429257,32.86212068738712,8.865400984357688,15.626164597505323,16.902666098612944,46.617397234547475,4.426144528058807,15.453660760936573,30.9909594957648,10.930382318931754,33.90984074758228,3.0176510681974196,15.73976007389689,14.331808507042027,8.500921283543194,21.57095124352492,1.8795444168903799,17.672281903915266,6.367735328040854,5.92761417741476,12.999090462468464,6.896879957034485,10.846772053002049,5.077380922532682,3.0796166811634653,6.454821139583241,1.0675112443890147,6.101258504458321,10.732497298832278,2.4433637057329793,26.78831743701859,10.333345994935172,4.422328736576943,7.011835635410848,6.363284326977777,20.236309895257246,1.6109340331790243,5.390781522430986,12.477794744608264,4.517389065331783,15.406302590215876,0.7802241145962064,5.548956972221159,5.8120467775657625,2.9850889331557746,10.59183305551824,1.1609490539773373,6.3190455993355545,3.9341034713530783,2.0720718368769515,6.185068717992884,2.3308335683486736,4.943447391756753,3.5513070757029372,1.0228199012430093,3.7400667348972676,0.3448326686276138,24.572297777397463,1.6417702283823639,0.5539309090389999,0.9179729069622079,0.06133331944635862,0.5642280453491835,0.40874834900021784,0.446432567138651,26.767998914818826,54.862849453929066,103.97756617794272,0.8769593604433118,1.4194089614880523,24.019944092527115,0.969465905111006,0.21305643148332756,0.9530791027965451,0.038467104314472506,0.5387942687051444,0.14270346345792376,0.06596834684883121,25.202466429121447,28.610671359348128,58.77447996815683,0.9296186541948176,0.7474660790118993,24.21830839817589,1.2180183256817743,0.33764004849764007,0.9396422604281469,0.04725769752245506,0.5477214637096348,0.2262360609014385,0.16597374683908003,25.773966772355305,38.086666034636174,73.82045491869593,0.9094633906422205,0.9399312714501533,24.55629485987513,1.6231369976484002,0.5443124927949341,0.91889424393414,0.060737633782560016,0.5634658635054309,0.39976568966134574,0.43111302229457216,26.723744350318466,54.108022526550315,102.52709979423642,0.8783413659012099,1.3943445754613488,24.31504082033401,1.3362718161185458,0.39749320987886705,0.933441669601849,0.05129877446212143,0.5521587499213593,0.27233632307240346,0.23009002154601574,26.048805846331422,42.687726353454174,81.65168432154306,0.9001625044027737,1.0545850945397786,24.62330579534252,1.700842416342638,0.5844913467155308,0.9150706315680421,0.06320804188748542,0.5666675460651351,0.4377480241951238,0.49684558894288433,26.90863955840069,57.266599766681146,108.65394905339113,0.8726059473520632,1.501261159203143,24.624795958453475,1.62840543162239,0.5455841218043815,0.9188773105981607,0.06076415033436858,0.5666044971879344,0.402418802130627,0.43299501655060507,26.798785511880247,54.422481316296825,103.09872717967997,0.8783159658972411,1.4020183158691664 +UMLCN0074,L,2-octylnaphthalene,CCCCCCCCC1=CC2=CC=CC=C2C=C1,Aromatics,,C18H24,NREL (2014),Unknown,PubChem,,18,0,0.13790000000000013,0.019016410000000036,76.1664,47.683031999999976,10,11,42,18,24,0,18,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2621.1397139999976,3031.5884110000015,3873.054383000002,3825.8183260000023,3117.620873000002,2600.078894000001,2245.934891999999,2050.1942269999963,1854.4535619999967,8369.314097830262,10800.499926129716,15214.873921217239,16225.786584033369,14254.022436088171,12180.315416246545,10604.179808740631,9628.465208216428,8652.750607692216,296.97242400000005,314.0929720000001,560.909948000001,757.318360000002,733.4518760000019,661.0069040000011,576.7453920000004,520.578956,464.4125199999999,60.87090971637603,79.71416343999996,118.70032299848987,133.26339857486587,120.87705578971469,104.71554561971473,91.34695954546982,82.77004359092287,74.19312763637593,6720.322058201978,6084.033910819603,11655.961357392991,16885.92593616236,16589.994355449508,15137.753453189218,13193.963742323473,11899.926239309127,10605.888736294779,80.08333333333334,98.77777777777777,156.02777777777774,190.27777777777774,177.25000000000003,153.16666666666669,132.91666666666669,121.50000000000001,110.33333333333334,62.408088428571375,70.50205606976748,49.654543371794894,35.75531145794395,29.977123778846174,27.660413765957458,27.38944990243901,27.705327391891842,28.097781242424194,199.2693832816729,251.1744168867376,195.06248616945177,151.6428652713399,137.05790803930932,129.5778235770909,129.3192659602516,130.1143947056274,131.10228193473054,7.070772000000001,7.304487720930235,7.191153179487192,7.077741682243009,7.052421884615403,7.031988340425544,7.033480390243907,7.034850756756756,7.036553333333332,1.4493073741994293,1.8538177544186039,1.521799012801152,1.2454523231295875,1.1622793825934106,1.113995166167178,1.1139873115301198,1.1185141025800387,1.1241382975208474,160.00766805242804,141.48916071673494,149.43540201785885,157.81239192675102,159.5191764947068,161.03993035307678,160.90199685760334,160.80981404471794,160.69528388325423,1.906746031746032,2.297157622739018,2.000356125356125,1.778296988577362,1.7043269230769234,1.6294326241134753,1.6209349593495936,1.641891891891892,1.671717171717172,0.08585942327439,-0.0045332905694362045,-0.028176002193901657,-0.0052237072698217,-0.015100139781396432,6.871937932748347E-4,0.0025837942232220428,0.002856396314801092,0.0027852985415939896,1245.2503782857143,39.53175804081488,-202.60025995918454,113.6538043673473,-91.4171904693874,-2.470734877550491,-44.473227795918035,-32.11955340816307,-19.765879020408068,2315.596252517718,73.51099214341946,-376.7438347350244,211.34410241233286,-169.99416933165793,-4.594437008963709,-82.6998661613471,-59.72768111652849,-36.75549607170983,0.24393599999999965,0.00774400000000221,-0.03968799999999775,0.022264000000000297,-0.017908000000000306,-4.840000000007113E-4,-0.008712000000000594,-0.006292000000000491,-0.0038720000000004124,10.351792644161149,0.32862833790989354,-1.6842202317881059,0.9448064714909002,-0.7599530314165988,-0.020539271119375535,-0.3697068801486194,-0.267010524551782,-0.1643141689549439,56.231101938332465,1.785114347248009,-9.148711029649936,5.132203748339812,-4.128076928012426,-0.1115696467028453,-2.0082536406545612,-1.4504054071393822,-0.8925571736242031,6.74404761904761,0.7560941043083902,1.2947845804988654,2.4933390022675734,-0.13605442176870797,-0.4965986394557818,-0.9566326530612238,-1.0153061224489788,-1.0442176870748292,0.0020442719827235716,-1.0542536207991174E-4,-3.6123079735771353E-4,-4.8819694110483176E-5,-1.4519365174419646E-4,7.310572268881221E-6,3.15096856490493E-5,3.8599950200014755E-5,4.2201493054454386E-5,29.648818530612246,0.9193432102515088,-2.5974392302459557,1.0621850875453018,-0.8790114468210327,-0.02628441359096267,-0.5423564365355857,-0.4340480190292307,-0.2994830154607283,55.133244107564714,1.7095579568237083,-4.8300491632695435,1.9751785272180642,-1.6345593204967108,-0.04887698945706073,-1.0085349531871597,-0.8071308258990336,-0.5569014556319671,0.005807999999999992,1.8009302325586534E-4,-5.08820512820484E-4,2.0807476635514296E-4,-1.7219230769231064E-4,-5.148936170220333E-6,-1.0624390243903164E-4,-8.502702702703366E-5,-5.866666666667291E-5,0.2464712534324083,0.007642519486276594,-0.021592567074206485,0.008829967023279442,-0.007307240686698065,-2.185028842486759E-4,-0.00450862048961731,-0.0036082503317808375,-0.0024896086205294533,1.3388357604364873,0.04151428714530254,-0.11729116704679406,0.047964521012521605,-0.039693047384734864,-0.0011869111351366522,-0.024490898056762942,-0.01960007306945111,-0.013523593539760653,0.1605725623582764,0.01758358382112535,0.016599802314088016,0.023302233666052087,-0.0013082155939298844,-0.005282964249529593,-0.01166625186660029,-0.013720353006067281,-0.01582148010719438,-0.05157110353753131,-0.17670388305006648,-0.023881212736399676,-0.07102462537825119,0.003576125060982046,0.015413646479207298,0.01888200323940666,0.020643776078283663,0.031007751937983358,-0.08760683760683798,0.03582554517133967,-0.02964743589743578,-8.865248226948455E-4,-0.01829268292682913,-0.01463963963963955,-0.010101010101010052,0.031007751937984426,-0.08760683760683734,0.03582554517133981,-0.029647435897435907,-8.865248226950321E-4,-0.018292682926829274,-0.014639639639639651,-0.010101010101010107,0.031007751937993388,-0.08760683760683276,0.03582554517134009,-0.029647435897436448,-8.865248226963396E-4,-0.018292682926830544,-0.014639639639640802,-0.01010101010101119,0.031007751937985988,-0.08760683760683668,0.03582554517133963,-0.02964743589743615,-8.865248226953883E-4,-0.01829268292682961,-0.014639639639639986,-0.01010101010101041,0.03100775193797337,-0.08760683760684342,0.03582554517133917,-0.029647435897435348,-8.865248226934836E-4,-0.018292682926827723,-0.014639639639638168,-0.010101010101008723,0.10950553172273668,0.10337882182542384,0.14511964761488416,-0.008147192613212072,-0.03290079059548179,-0.07265408046843051,-0.08544643496099813,-0.09853165369493708,1.1678289000963737,1.137330315491697,0.9258950492193025,1.0307432411166022,0.9529541243602494,0.8916119415892295,0.8850079412025811,0.9159569213896664,1.1124031007751944,1.1498397435897445,0.949961059190032,0.9965277777777786,0.9541223404255327,0.972222222222223,0.9695945945945953,0.966329966329967,1.1124031007751938,1.1498397435897432,0.9499610591900308,0.9965277777777776,0.9541223404255318,0.972222222222222,0.9695945945945944,0.9663299663299662,1.1124031007751938,1.1498397435897436,0.9499610591900316,0.9965277777777782,0.954122340425532,0.972222222222222,0.9695945945945944,0.9663299663299662,1.1124031007751933,1.1498397435897418,0.9499610591900294,0.9965277777777759,0.9541223404255305,0.972222222222221,0.9695945945945937,0.9663299663299658,1.112403100775195,1.1498397435897438,0.9499610591900313,0.996527777777778,0.9541223404255322,0.9722222222222225,0.969594594594595,0.9663299663299669,1.0210937553452806,0.8562737154970175,0.8009639998570232,0.95315930024668,0.9135321402414989,0.9432185937040317,0.9961236611722061,1.0631335419508423,151.89620693330056,75.94810346665022,121.7049937662685,151.8962069333005,8.43867816296114,75.94810346665022,-9.947598300641403E-14,0.49690578166812815,0.027605876759340453,-1.2588387209376208,125.21814423889947,6.9565635688277485,8.694103266363156,151.89620693330056,75.94810346665022,121.7049937662685,151.8962069333005,8.43867816296114,75.94810346665022,-9.947598300641403E-14,0.49690578166812815,0.027605876759340453,-1.2588387209376208,125.21814423889947,6.9565635688277485,8.694103266363156,151.89620693330056,75.94810346665022,121.7049937662685,151.8962069333005,8.43867816296114,75.94810346665022,-9.947598300641403E-14,0.49690578166812815,0.027605876759340453,-1.2588387209376208,125.21814423889947,6.9565635688277485,8.694103266363156,151.89620693330056,75.94810346665022,121.7049937662685,151.8962069333005,8.43867816296114,75.94810346665022,-9.947598300641403E-14,0.49690578166812815,0.027605876759340453,-1.2588387209376208,125.21814423889947,6.9565635688277485,8.694103266363156,151.89620693330056,75.94810346665022,121.7049937662685,151.8962069333005,8.43867816296114,75.94810346665022,-9.947598300641403E-14,0.49690578166812815,0.027605876759340453,-1.2588387209376208,125.21814423889947,6.9565635688277485,8.694103266363156,151.89620693330056,75.94810346665022,121.7049937662685,151.8962069333005,8.43867816296114,75.94810346665022,-9.947598300641403E-14,0.49690578166812815,0.027605876759340453,-1.2588387209376208,125.21814423889947,6.9565635688277485,8.694103266363156,183.71771664220876,91.21140534909614,149.6793414722554,183.57697590146796,10.198720883414886,91.21140534909614,-0.3166666666667197,0.6298463188199298,0.03499146215666277,-0.832102969923772,200.78697317703748,11.154831843168749,9.5440401199742,0,11.85,12.150236622295475,-0.20589186114500124,0.0943912693024019,5.134563636442587,9.492068480522414,19.0,43.0,38.0,32.0,8.0,5.0,0.0,0.0,0.0,11.0,26.236967999999994,3.992706692822743,3.513625040685494,3.384219611552794,3.1656205362995533,2.91093816197586,2.798897071105235,2.5262418647678455,2.311191053385306,2.1179569166817998,1.9117641144298232,1.7614018548027608,1.5912591573500632,1.4152439824053569,1.22143005215172,1.1404617533362869,0.9269204747321766,4.000114763465694,3.539026579948868,3.406814351157575,3.19612719539219,2.9364474564428655,2.8304924103999416,2.5596604519662294,2.350952654984325,2.0968555873274055,1.8524445823214992,1.6998068360453191,1.5311782632989546,1.3374879497052186,1.1538822132551838,1.0495561094977879,0.8184576838023657,4.03400823814356,3.6548627125860453,3.5093633155047326,3.327123093804039,3.073239579116449,2.9561548099494965,2.728873280486928,2.520328533127641,2.0410866481743186,1.678504008396705,1.5308607262280436,1.3525184998488324,1.1041892020037924,0.9793648491875057,0.7664744908906598,0.5529738542478747,4.005634776568306,3.558018200405109,3.4235531466267917,3.2184643474736685,2.956611877682561,2.8530933298584595,2.5854432574133908,2.3801259071063288,2.0840511294165633,1.814654258481961,1.6614990202555666,1.4930485040603285,1.2871045290873628,1.1138693741591756,0.9890382136432543,0.7529633588647565,4.051493818290167,3.712708304135661,3.5625496478356493,3.388622666895431,3.149775696581281,3.0125770786520722,2.8219435246208686,2.6001519348418056,2.025187906621569,1.6250429725220124,1.482648079371111,1.2945088218687124,1.035251333858191,0.9261530634365275,0.6826824958189124,0.47854271675255416,4.069676406372005,3.535555852393396,3.4348123058612385,3.226303045129181,3.0301147319897894,2.8921342499669302,2.6134635405022055,2.4775436717861914,2.026418826042651,1.8549423278798902,1.6596506460610636,1.4327297672443624,1.22303217967733,1.0127670198521441,0.9196355335902083,0.6854081792769752,0,0,0,7,3,1,7,0,0,0.0,0.0,0.0,0.15137471507731048,0.2621886974951644,0.0,0.0,0.0,0.051834038994012184,0.07686313816875127,0.5374574785652648,0.0,0.08333333333333333,0.0,0.2845177968644246,0.0,0.027777777777777776,0.0,1.327709221041814,2.0817885325170815,2.835963150014341,0.5887546038701379,0.7873632925435988,0.9197910359441016,12.631545744180547,8.898178147766922,7.040136382078626,5.614210939733877,4.446111499055385,3.6090824996134354,2.2976547090598096,1.6055722861147004,0.7017525413433637,0.46832516567194327,0.30609288617733155,0.2005075335619242,0.13076798526633485,0.0859305357050818,0.05891422330922589,0.04013930715286751,11.491199352633217,7.376044312682032,5.199269926043684,3.6328819205812213,2.5037457506761593,1.7469269508991394,1.0341959917661747,0.652849547387652,0.6383999640351787,0.3882128585622122,0.22605521417581234,0.12974578287790076,0.07363958090223999,0.04159349883093189,0.02651784594272243,0.0163212386846913,24.501933645430455,40.65404224326296,38.70588235294116,39.120000000000005,27.582653892215603,316.795228742515,0.583379372510249,0.9679533867443562,0.92156862745098,0.9314285714285715,0.656729854576562,7.542743541488453,5.742800000000005,81.02800000000006,152.56257463484215,220.54568743910005,305.12514926968436,16.951397181649128,152.56257463484215,0.24625466023908377,0.013680814457726877,-2.5225003337044405,102.08291739504178,5.671273188613432,8.326413717632958,380,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,8.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,7.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,1.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.724989661674645,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.8407514008084793,0.0,2.1287621845269404,0.0,0.0,2.8407514008084793,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.272895888166,0.0,9.502114450159358,0.0,0.0,15.50798012013994,0.0,0.0,0.0,0.0,1.4899921527252877,2.7270173888094167,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.351107217514595,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3750580672083649,0.0,0.21992496346600576,0.0,0.0,0.3750580672083649,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.272895888166,0.0,1.2330945294784579,0.0,0.0,2.1068820842772933,0.0,0.0,0.0,0.0,1.4899921527252877,1.351107217514595,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.348587569286974,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.42884826247208657,0.0,0.388296485260771,0.0,0.0,0.42884826247208657,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.272895888166,0.0,1.4109328563585417,0.0,0.0,2.348587569286974,0.0,0.0,0.0,0.0,1.4899921527252877,1.3759101712948216,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,31.5,1.75,0.42884826247208657,2.348587569286974,0.11505806720836484,1.2330945294784579,11.407618482993767,0.31555944915207174,0.348587569286974,3.5617520166118783,0.31555944915207174,0.348587569286974,3.5617520166118783,9.0,0.5,0.0,0.0,0.47143,0.7,0.43846,0.43846,0.7,0.03297,0.03297,-0.0,0.0,0.71429,0.0,0.0,0.05556,0.16667,0.0,19.5,1.08333,9.5,0.52778,10.0,0.55556,0.5,0.02778,0.0,0.0,15.39706,0.85539,24.92052,9.52347,0.52908,5.70975,0.31721,8.89816,3.18841,0.17713,0.01584,8.8E-4,0.18784,0.01044,0.23809523809523808,55.0,0,0,0,0,0,0,0.4444444444444444,0.9852281360342516,2.3851837986266373,3.340393387841046,4.2135132560090724,4.478876280478755,4.525499042860507,41.37958171343857,100.17771954231877,140.29652228932395,176.96755675238103,188.11280378010773,190.0709598001413,0.18270959566889616,0.4423300061214698,0.6194726915982776,0.7813919184745937,0.830603232213045,0.8392493779656677,4.407089286744509,3.0071336241521234,2.0519240349377146,1.1788041667696882,0.9134411423000053,0.8668183799182536,0.17593633397505815,0.4259323074919625,0.5965081032469082,0.7524247920907682,0.7998117839865281,0.808137406848105,6.751545309820625,18.08090204992949,24.384310256381205,27.55557791662266,28.14888633027574,28.719310820503146,67.65160243293417,49.34788349357669,33.507760517362506,24.950093695675754,23.43435536407895,22.61776432469333,14.409972299168976,8.226843100189036,4.8979591836734695,8,10,8,3.44,2.2126,0.0,2.321659140524501,0.3130596033634848,0.0,22.833572164804913,13.308833654147724,0.0,1.6509636244473134,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.193,0.184,0.895,1.4000000000000001,9.339,23.0,28.0,34.0,42.0,39.0,40.0,41.0,41.0,29.0,354.0,3.2386784521643803,3.7495040759303713,4.3208159036289855,4.90527477843843,5.502787652596625,5.695519261485964,6.017223663951191,6.33365422493225,6.608827923004443,5.869804376160539,7.972327267125251,8.188128972457626,0.46153846153846156,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,3.0,0.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.3684210526315789,8.0,0.42105263157894735,1,7.0,13.0,0.8571428571428571,2.0,1.1111111111111116,0.4375,0.5955555555555557,0.17361111111111113,0.12081632653061224,0.08680555555555555,0.06550768455530359,0.051250000000000004,0.04122028364452607,0.10526315789473684,0.04830917874396137,0.019886363636363636,0.035032679738562104,0.012400793650793652,0.010068027210884354,0.007891414141414142,0.006550768455530359,0.005694444444444445,0.00588861194921801,0.27404598072365255,87.21979271583413,136.81482926994516,174.43958543166832,9.691088079537126,87.21979271583413,0.30373497787905973,0.01687416543772554,-2.1448795339665625,178.03190041881524,9.890661134378625,9.327532950127596,0.0,260.1889710608007,5.169925001442312,4.442651256490317,5.231108616854587,6.042632833682381,6.85751406254539,7.684783943522785,8.513385953073284,9.350015354048665,10.186898014636986,11.029536652514357,106.33852668736874,3.6635616461296463,0.0,4.875197323201151,0.0,6.297109319933935,0.0,7.83002808253384,0.0,9.426982836948033,9.658928824466434,240.187800768,5.7187571611428565,36.56027028163225,2.0311261267573473,0.0,0.0,0.0,753.0,22.0,7.494000000000003,84.0,1.251802497106346,2.188755522251018,2.965214561296775,3.7826587306256942,4.93563703873826,5.9240503218001646,7.060954322576814,8.094102999088188,9.250419211463694,10.329752155922415,98.75117587055908,118.25977712747812,119.33163829129957,133.76374221976914,153.76269800510525,183.80749201546604,216.795941797881,251.50446101075988,292.80121442728193,314.3014270556981,338.9455282215079,452.04593146790154,485.0902482517168,581.9404025816083,688.6761592461769,830.6250059429354,978.3852702605149,1131.6096940567331,1308.4078138522555,1468.067779321871,9.177363382642447,15.787475427619844,21.056944182167477,26.842249883561923,34.81821728105718,41.82495412563924,49.804688599216405,57.121053625700874,65.31484978873871,73.12565191299215,2.453678232707332,3.477183213560904,3.901465438615682,4.800252690035202,5.797766530837213,7.002252125686044,8.259396477921207,9.534033215790016,10.98786221563853,12.444136182468052,175.02537730581568,323.7742048523521,463.07253484094235,591.2001515798752,786.8681406162777,941.6333445641558,1126.031550087384,1288.6129961423194,1470.3029244005713,1625.634109174973,2.9593447526324557,4.502868762919435,5.457778693441153,6.801330699542175,8.267496272240907,9.914054718928725,11.862848516643723,13.896234684814978,16.301657209434886,18.919836048794267,0.50442890462232,0.7234176142237784,0.8194073061623287,1.0122323470237513,1.2277522597484791,1.4828655762848266,1.7497968633423544,2.019027677969313,2.3255337689291222,2.6360084725870956,478.4335379142713,423.57212570531016,18.407007886038908,161.67751715263566,-143.13814603726564,-7.896430990044081,316.7560207616357,566.7102717425757,26.30343887608299,0.747422707555431,0.6617166230022955,0.028755959985904214,0.2525772924445688,-0.22361455079432155,-0.012336032829832495,306.2505967336973,271.13320028215867,11.782529238557245,103.49156608517158,-91.62430968023513,-5.054592772300138,0.07074508070013695,0.07373091680393526,1.5368556204239143,0.6654777785475815,640.111055066907,0.0,1.0,0.0,1348.211740247114,36.71800294470158,11.047212335695367,1582.1867922652561,39.77671168240603,11.652503756206402,2489.624244018128,49.89613455988478,13.553285957550651,2.61211288026326,2.61211288026326,5120.026489302199,5067.350386000477,319.69166579224384,1.0103951965601687,16.015514438307317,15.850742850749091,7.277381937429311,8.158223415980704,15.978143410727833,0.958532219089405,7.265366870867401,10.245485389136483,6.153743582146078,41.898594454265464,13.064722806668279,7.501773144272429,11.956785915663756,14.466366985421722,24.90803943710398,4.832772839232881,11.982620844258776,20.253326859244165,13.8544951139287,14.566090795951935,8.616015697405864,11.124003825729432,10.48115578394737,12.148402729279947,4.535849881392083,9.04545529417545,7.9786478365532,6.06092448376158,3.8467329913143145,3.7681100105433587,6.164469135689325,3.940391840843245,2.06994495966186,4.232495158771362,1.9319722772904546,0.3484083160528276,0.6098649885687408,10.245129083652163,0.48445659983554545,13.374221658009134,1.0578490459858108,1.199129650668564,1.910176810731447,1.352694145191733,7.730807199835029,0.6422944392907598,2.0139821307333565,2.601895486576743,2.4948726001023958,3.169801877397155,1.1578482309660023,1.6556636425349602,1.6712774570242535,3.7356937148077143,1.4425559267557757,1.5781252459406716,2.0190647199616647,0.7522475706949567,1.1348490966571618,0.7929301904150143,2.2396024482800616,0.9307142452551502,0.7845550863273634,0.08525415514343179,0.16157034592238298,0.0032064424469314856,1.9683948130110427,10.245153669347967,1.5848198281128172,15.642603569159352,1.881170764978313,2.129269110854728,3.838163277533195,3.374028415557184,10.086321814334413,1.1556807801981235,3.583366041046758,5.289226062842666,4.043456261569514,4.99176980915093,2.061899472744789,3.0688729592435715,3.0728638207804657,5.008768544709201,1.7337749057740854,2.782340359246967,3.082482846912992,1.5699702623411937,1.5863699292379447,1.3246598864241654,2.892432400918151,1.4639374703464154,1.0103749965069473,0.4265440544159605,0.5219421867458856,0.027504707826894216,6.857921814709553,10.245446544670813,5.786559025968344,38.89504738632494,11.753901853354762,6.9898598902528954,11.298318133570366,13.43168227309441,23.449373311231838,4.455253686640244,11.207694996269606,18.848773532705344,12.886610961966449,13.690028520717814,7.9406909874824585,10.360583735280558,9.801482867622134,11.47626124666429,4.226133303312456,8.475096049622387,7.559658927072353,5.641867502381275,3.6446176890108193,3.559238202105737,5.871721255728359,3.727445333107204,1.978322164180856,3.7998631796249285,1.8232340262332785,0.3109437289673552,2.9009829478726656,10.245184841562931,2.357067334852777,18.255047859104636,2.9296047972622383,2.8735926710163207,5.198109781111555,4.9562264883003415,12.044982733359198,1.6096452423944847,4.798894036517147,7.405885397241302,5.335186093394875,6.392218194776043,2.8660942388187705,4.19324144613962,4.152796656019069,6.014568399245333,2.0346965427496406,3.7040186704440936,3.8579326883010148,2.210259928275999,1.9266203828130142,1.7121133369669874,3.3846186826703915,1.8540635579112767,1.1762473898477184,0.8108481751730316,0.7696245444888552,0.05789198896170317,8.773952520826121,10.245648550924098,7.5361016458080465,54.44695319789854,18.57184495939419,9.540300453121151,14.444097666876743,18.560615472626097,30.771041714097844,6.367921254625524,15.03877349684715,25.82157124315953,17.7474880343762,18.012303113168663,11.36480315666844,14.159267613518494,13.157022471186657,14.815439728747691,5.819236329976934,11.28578558759922,9.591455600827938,7.719306002445469,4.636058954523038,4.5718221070150555,7.307958914065088,4.761419292936133,2.4238664148627325,6.0372834668977635,2.334984736131312,0.5056660967733146,4.1073219189671795,8.723443244838021,3.4478718923195064,22.386922102566718,4.931013551998106,3.982441200168273,7.0147703545951625,7.44639699392178,14.012639873331757,2.450094857068097,6.69683217990702,10.09735374158308,7.161573062483732,7.888555425359232,4.296510529200572,5.904778764012478,5.896852630945969,7.293283274777012,2.636579676676643,4.9821682201833974,5.212327245383334,3.2352639195560466,2.4812834086364277,2.180517861902554,4.5662997769396085,2.8370693270505365,1.68431354805805,1.5616937979391974,1.2592892502642181,0.11696237183843272,22.583084234896287,1.3621679392915031,0.9617015987206466,0.9066979623762803,0.05469026648988075,0.5604814745989053,0.3635401288492602,0.4150901816300946,24.906953772908437,53.79014061278055,108.28091406858584,0.8600469435644206,1.3391117850782601,21.554483015180885,0.7751992997039883,0.5561827148594267,0.9418251391051619,0.033872405464966136,0.5105293939206449,0.1166551200666976,0.13485058656446244,22.885865029744302,29.12840347069093,61.30753668390152,0.9127377086577427,0.762035100551805,21.913924437268157,0.9795237777452797,0.6995849458008212,0.928830315623218,0.041517500995682646,0.5276987076507388,0.18639357123165626,0.21617560202243793,23.593033160814258,37.48112177871159,76.09089274897059,0.8932454734348272,0.9302678809048329,22.55202556923949,1.3443827851846872,0.9496328207062608,0.9076707798348521,0.05410853084033133,0.5589362378327914,0.3539734869788229,0.4045154129420694,24.846041175130438,53.01136861669095,106.64890464524295,0.8615061697522781,1.3174251377536836,22.09315192183849,1.0818430330414335,0.7702829891418099,0.9226517217084277,0.04517980687342702,0.5363745838940356,0.22784854852559377,0.2634494685464622,23.945277944021733,41.7526268717582,84.1086869436345,0.8839775825626414,1.0276726009660915,22.682612230346763,1.4191664775969015,1.000324201233529,0.9036140243873402,0.0565357604791773,0.5654487431553481,0.3950700662786274,0.44984247793262966,25.102102909177194,56.29999543596863,113.60293741511194,0.8554210365810102,1.4103612873666052,22.617021025338747,1.3493630115316138,0.9506810696059904,0.9076920146369972,0.054154171278418026,0.5621572752597696,0.35637667038102694,0.4052347824923185,24.917065106476354,53.302959213384774,107.23345261389159,0.8615380219554958,1.323768728133115 +UMLCN0075,L,"1,3-xylene",CC1=CC(=CC=C1)C,Aromatics,,C8H10,NREL (2014),IQT,PubChem,,7,0,2.2962000000000002,5.272534440000001,39.5198,20.74792999999999,6,6,18,8,10,0,8,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1164.2736079999988,1275.1838479999997,1618.2368259999987,1302.451086999999,665.960907,176.61168000000004,15.240960000000001,0.0,0.0,3698.972658303943,4535.501377699823,6027.984113266137,5780.464593999613,3802.065966381282,1823.8988402037728,466.25616646395395,0.0,0.0,127.50876799999996,131.500448,215.36279200000013,237.04370800000015,251.51588400000017,146.67609600000003,100.77695999999997,0.0,0.0,26.757329048489986,33.4466431,46.14629776909402,47.136589249698034,35.079691152735016,18.70191067394299,6.6691935727350025,0.0,0.0,2863.5313689624904,2545.580325849001,4521.165141026095,4932.3369417880995,5910.353707465936,3438.1392321503436,2773.764780363735,0.0,0.0,39.55555555555556,48.0,68.11111111111111,74.66666666666667,60.333333333333336,35.0,15.0,0.0,0.0,64.68186711111105,70.84354711111109,53.94122753333329,39.46821475757573,18.498914083333332,8.410080000000002,1.016064,0.0,0.0,205.4984810168857,251.97229876110129,200.9328037755379,175.165593757564,105.61294351059117,86.85232572398918,31.083744430930263,0.0,0.0,7.083820444444442,7.305580444444445,7.1787597333333375,7.183142666666671,6.986552333333338,6.9845760000000015,6.718463999999998,0.0,0.0,1.486518280471666,1.858146838888889,1.5382099256364674,1.428381492415092,0.9744358653537505,0.8905671749496662,0.4446129048490002,0.0,0.0,159.08507605347168,141.42112921383338,150.70550470086982,149.4647558117606,164.1764918740538,163.72091581668303,184.917652024249,0.0,0.0,2.197530864197531,2.6666666666666665,2.2703703703703706,2.262626262626263,1.675925925925926,1.6666666666666667,1.0,0.0,0.0,0.04200110899986007,0.0015377271327904805,-0.0032644161220858835,-0.030893484889177272,0.0015558723730880165,-0.007196136523433516,0.017259883528888117,0.0,0.0,538.0711511111111,3.268496584496461E-13,98.64637770370393,-408.0372895925924,-67.25889388888912,-251.09987051851869,358.7141007407404,0.0,0.0,1000.5662819521006,-9.947598300641403E-14,183.43715169121833,-758.7627638136762,-125.07078524401253,-466.9309315776469,667.044187968067,0.0,0.0,0.10540444444444434,1.5230872119076366E-15,0.01932414814814924,-0.0799317037037023,-0.013175555555556745,-0.04918874074074138,0.07026962962962753,0.0,0.0,4.47299682155111,3.7192471324942744E-15,0.8200494172843733,-3.392022589676256,-0.5591246026938927,-2.087398516723854,2.9819978810340686,0.0,0.0,24.297389726439967,4.39648317751562E-14,4.454521449847362,-18.42552054255028,-3.037173715805049,-11.338781872338686,16.19825981762658,0.0,0.0,3.9012345679012355,-0.7901234567901234,1.8065843621399187,-3.522633744855966,0.28395061728395204,-2.2181069958847726,2.4897119341563796,0.0,0.0,0.0023333949444366707,8.542928515502669E-5,-1.0881387073619612E-4,-9.361662087629477E-4,4.321867703022268E-5,-3.4267316778254837E-4,0.0011506589019258744,0.0,0.0,29.892841728395062,1.815831435831367E-14,3.2882125901234645,-12.36476635129068,-1.8683026080246978,-11.957136691358032,23.914273382716026,0.0,0.0,55.587015664005584,-5.526443500356335E-15,6.114571723040611,-22.992811024656856,-3.474188479000348,-22.234806265602234,44.46961253120447,0.0,0.0,0.005855802469135796,8.461595621709093E-17,6.441382716049747E-4,-0.00242217283950613,-3.6598765432102067E-4,-0.0023423209876543513,0.004684641975308502,0.0,0.0,0.2484998234195061,2.0662484069412636E-16,0.027334980576145775,-0.10278856332352292,-0.015531238963719243,-0.09939992936780256,0.19879985873560457,0.0,0.0,1.3498549848022203,2.4424906541753444E-15,0.14848404832824538,-0.5583491073500085,-0.08436593655014026,-0.5399419939208898,1.079883987841772,0.0,0.0,0.21673525377229086,-0.0438957475994513,0.06021947873799729,-0.10674647711684745,0.007887517146776445,-0.10562414266117964,0.1659807956104253,0.0,0.0,0.036611584060687624,-0.046633284689174645,-0.4012034957883897,0.018521801092123542,-0.14685605135108265,0.4931265085104001,0.0,0.0,6.074469106450049E-16,0.11000000000000025,-0.41363636363636347,-0.06250000000000022,-0.40000000000000024,0.7999999999999992,0.0,0.0,-9.94196834340018E-17,0.10999999999999995,-0.41363636363636364,-0.062499999999999986,-0.4,0.8,0.0,0.0,1.4449933491280932E-14,0.11000000000000633,-0.4136363636363568,-0.0625000000000057,-0.4000000000000056,0.799999999999977,0.0,0.0,8.3148888337563E-16,0.11000000000000042,-0.41363636363636336,-0.06250000000000044,-0.40000000000000047,0.7999999999999987,0.0,0.0,1.8094467047756366E-15,0.11000000000000085,-0.4136363636363631,-0.0625000000000011,-0.40000000000000124,0.7999999999999969,0.0,0.0,-0.2025316455696202,0.2778481012658229,-0.4925201380897581,0.03639240506329131,-0.4873417721518984,0.7658227848101267,0.0,0.0,0.9675891444019383,0.998047666330947,1.4793594108617976,0.9771655937846041,0.9628260894397204,0.09505303986116283,0.0,0.0,1.0625000000000002,0.8925000000000004,1.390909090909092,0.9562500000000006,1.2750000000000006,0.0,0.0,0.0,1.0625,0.8925,1.3909090909090904,0.9562499999999997,1.2750000000000001,0.0,0.0,0.0,1.0624999999999996,0.8924999999999995,1.39090909090909,0.9562499999999995,1.2749999999999995,0.0,0.0,0.0,1.0625000000000004,0.8925000000000005,1.3909090909090918,0.9562500000000004,1.2750000000000006,0.0,0.0,0.0,1.0625,0.8925000000000003,1.3909090909090918,0.9562500000000005,1.2750000000000004,0.0,0.0,0.0,1.2911392405063287,0.6294303797468354,1.5405638665132333,0.8204113924050631,1.4525316455696198,0.0,0.0,0.0,23.520603954821382,11.760301977410693,16.675156192923367,23.520603954821382,2.940075494352673,11.760333963165586,1.7763568394002505E-15,4.440892098500626E-16,5.551115123125783E-17,-28.280404966845772,4000011.018076499,500001.3772595624,12.161446138879597,23.520603954821382,11.760301977410693,16.675156192923367,23.520603954821382,2.940075494352673,11.760333963165586,1.7763568394002505E-15,4.440892098500626E-16,5.551115123125783E-17,-28.280404966845772,4000011.018076499,500001.3772595624,12.161446138879597,23.520603954821382,11.760301977410693,16.675156192923367,23.520603954821382,2.940075494352673,11.760333963165586,1.7763568394002505E-15,4.440892098500626E-16,5.551115123125783E-17,-28.280404966845772,4000011.018076499,500001.3772595624,12.161446138879597,23.520603954821382,11.760301977410693,16.675156192923367,23.520603954821382,2.940075494352673,11.760333963165586,1.7763568394002505E-15,4.440892098500626E-16,5.551115123125783E-17,-28.280404966845772,4000011.018076499,500001.3772595624,12.161446138879597,23.520603954821382,11.760301977410693,16.675156192923367,23.520603954821382,2.940075494352673,11.760333963165586,1.7763568394002505E-15,4.440892098500626E-16,5.551115123125783E-17,-28.280404966845772,4000011.018076499,500001.3772595624,12.161446138879597,23.520603954821382,11.760301977410693,16.675156192923367,23.520603954821382,2.940075494352673,11.760333963165586,1.7763568394002505E-15,4.440892098500626E-16,5.551115123125783E-17,-28.280404966845772,4000011.018076499,500001.3772595624,12.161446138879597,25.79125017672561,12.718809323742558,18.08636660397234,25.778750176725612,3.2223437720907016,12.718821671311037,-0.05000000000000071,0.0,0.0,0.0,4000010.9505464425,500001.3688183053,12.161446125373622,0,11.849999999999996,12.15008271144012,-0.2100464502356827,0.09005319367641801,5.924375000000003,7.816266734845111,8.0,18.0,15.0,12.0,2.0,3.0,0.0,0.0,0.0,6.0,10.932069999999998,3.800632444981197,2.978981869230359,2.7629745734142515,2.137605185552755,2.024738678685832,0.8608905114318698,0.4413655887573251,0.25320324281697976,1.989439977809162,1.4939169775120498,1.31476502139547,0.9019218602953492,0.7833230181240908,0.2734868166223176,0.08392307051869083,0.08392307051869116,3.8117720589630943,3.008518800164739,2.794146531702485,2.1992747191079856,2.082600026910618,0.9779232905231623,0.5456724759380669,0.40199116892299114,1.9578825492444514,1.412300854719777,1.2274732402198276,0.8061611225331792,0.6826626445077708,0.10993524965051064,0.27091390189293707,0.27091390189293724,3.862952392010922,3.149926771892169,2.9447681666518832,2.451527919124707,2.3241566227011075,1.4606013835238532,0.9637200066827349,0.9535351207006578,1.8736659923218189,1.180117151125871,0.9772038446231814,0.49810156774761594,0.36984939654489335,0.4512601298910878,0.9439184268026205,0.9439184268026216,3.820086262413261,3.0309373633066836,2.817868956308815,2.243741401496983,2.124567978492834,1.0629714972533084,0.6211141506828706,0.5056407462221657,1.9386193270765069,1.3607318946307856,1.1720029305583932,0.7432712003788522,0.6173331068336416,6.935763551549302E-4,0.39927724550898186,0.39927724550898197,3.8894202464264733,3.2245002322946608,3.0250083591659966,2.563088882635636,2.434292051602586,1.67061954182857,1.207644822962088,1.2076448229620877,1.849609417256592,1.1124632204894083,0.9046396005128854,0.3906333346962548,0.2649880183760734,0.6554138364550831,1.1339486008924133,1.17191077780233,3.816589501499872,3.0423597728698613,2.866202960588403,2.3073726771674794,2.18113485144965,1.1562923875827509,0.6479199009208648,0.5825151954774961,1.9346754179616377,1.319153661175804,1.0995445592310433,0.6742074066449674,0.5522608640645721,0.10988944413033697,0.5217391304347823,0.5217391304347826,0,0,0,4,2,2,0,0,0,0.0,0.0,0.0,0.08333333333333333,0.16666666666666666,0.0,0.0,0.0,0.027777777777777776,0.05555555555555555,0.5773502691896258,0.0,0.0,0.0,0.3333333333333333,0.0,0.0,0.0,0.7415816237971964,1.093412988719178,1.0202200572599405,0.3591167563965419,0.47022786750765305,0.36655978951962875,5.983127663125442,3.787693700234704,3.3769493512234936,2.198584704241717,1.737363539578557,0.9714045207910318,0.4511844635310912,0.0,0.7478909578906803,0.473461712529338,0.3376949351223494,0.21985847042417167,0.157942139961687,0.09714045207910318,0.09023689270621824,0.0,5.309401076758503,2.8213672050459184,2.1581548620732,1.1735753140545635,0.8070155245349347,0.359116756396542,0.15922363354357993,0.0,0.6636751345948129,0.3526709006307398,0.21581548620732,0.11735753140545635,0.07336504768499406,0.0359116756396542,0.031844726708715985,0.0,10.709139018929374,17.439184268026217,16.62745098039216,16.800000000000008,11.992772455089817,135.36935928143714,0.5949521677182985,0.968843570445901,0.9237472766884535,0.9333333333333338,0.6662651363938787,7.520519960079842,1.74264,33.721999999999994,30.917337183771988,41.28122385587677,61.834674367543975,7.729334295942997,30.917337183772062,0.0,0.0,0.0,4000010.2930924576,500001.2866365572,12.161445993883175,54,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.637638888888889,0.0,0.0,0.0,0.0,1.637638888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.208333333333333,0.0,0.0,0.0,0.0,8.449074074074073,0.0,0.0,0.0,0.0,2.6759259259259265,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3379629629629632,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3944444444444445,0.0,0.0,0.0,0.0,0.3944444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1041666666666665,0.0,0.0,0.0,0.0,2.074074074074074,0.0,0.0,0.0,0.0,1.3379629629629632,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1666666666666665,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.41875,0.0,0.0,0.0,0.0,0.41875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1041666666666665,0.0,0.0,0.0,0.0,2.1666666666666665,0.0,0.0,0.0,0.0,1.3379629629629632,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.333333333333334,1.9166666666666667,0.41875,2.1666666666666665,0.171875,1.3379629629629632,4.879458333333333,0.3287037037037036,0.16666666666666663,1.3148148148148147,0.3287037037037036,0.16666666666666663,1.3148148148148147,4.0,0.5,0.0,0.0,0.47778,0.7,0.43333,0.43333,0.7,0.04444,0.04444,-0.0,0.0,0.71429,0.0,0.0,0.25,0.25,0.0,10.0,1.25,4.0,0.5,6.0,0.75,2.0,0.25,0.0,0.0,4.13545,0.51693,8.42549,4.29004,0.53626,1.7065,0.21331,3.78768,2.08118,0.26015,0.12632,0.01579,0.21232,0.02654,0.3333333333333333,8.0,0,0,0,0,0,0,0.25,0.9910760598382221,2.197159723424149,2.530493056757483,2.9749375012019272,2.9749375012019272,2.863826390090816,17.839369077087998,39.548875021634686,45.54887502163469,53.54887502163469,53.54887502163469,51.548875021634686,0.2376723944664291,0.5269062927184988,0.6068437815745427,0.7134271000492677,0.7134271000492677,0.6867812704305865,3.17884894160409,1.972765278018163,1.6394319446848291,1.194987500240385,1.194987500240385,1.306098611351496,0.2256385330209643,0.5002279006589044,0.5761179835578889,0.6773047607565347,0.6773047607565347,0.6520080664568731,6.714395846294912,15.258033798476411,19.25803379847641,20.927308809143078,19.705956034920856,19.593975475809746,29.669493956074607,25.124813903151757,20.55839723167738,18.350711118803446,19.55622500849362,19.797327786431655,6.125,2.52,1.8,0,6,0,2.34,0.9982000000000003,0.25,3.03934274260637,2.3094010767585034,0.0,3.5327755290014426,5.1115448339701794,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.129,0.112,0.529,0.672,3.896,10.0,10.0,11.0,10.0,5.0,0.0,0.0,0.0,0.0,62.0,2.4849066497880004,3.0204248861443626,3.4094961844768505,3.8528036457681747,4.2018901887852635,3.595598464110711,0.0,0.0,0.0,0.0,5.375856944003455,3.469758064516129,0.25,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.25,0,3.0,4.0,0.3333333333333333,2.0,0.666666666666667,0.5,0.2222222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.25,0.0666666666666667,0.07142857142857142,0.07407407407407407,0.0,0.0,0.0,0.0,0.0,0.0,0.46216931216931223,15.570693777948208,22.399120902694403,31.141387555896422,3.8926734444870528,15.570694452209127,2.220446049250313E-16,2.7755575615628914E-17,-28.834922711293725,4000010.4136827094,500001.3017103387,12.161446018001163,0.0,115.7585009045335,4.0,3.6109179126442243,4.343805421853684,5.14166355650266,5.8888779583328805,6.690842277418564,7.4413203897176174,8.244071270295786,8.99528899055931,9.798182590890704,76.15497036821542,2.833213344056216,0.0,4.04305126783455,0.0,5.4510384535657,0.0,6.947937068614969,0.0,8.479906606630221,8.72729202920964,106.07825032,5.893236128888889,15.532958214174435,1.9416197767718044,0.0,0.0,0.0,61.0,7.0,2.8659999999999997,36.0,1.2313502078311678,2.153884095641518,3.048006828199609,3.8019212377045357,5.033060421401747,5.758098609759039,0.0,0.0,0.0,0.0,96.27497539226407,127.02308774707922,127.10704103161108,80.0140507941066,42.564575843327745,5.8505967058262085,0.0,0.0,0.0,0.0,331.39189595749474,461.8665855565984,551.8270398371493,436.9629256684815,438.91402670655344,178.98326559384483,0.0,0.0,0.0,0.0,9.02466036108758,15.520544578837251,21.928744918829327,26.673975941410916,35.16229157004996,38.68557821811616,0.0,0.0,0.0,0.0,2.4026519414770102,3.4848893819606057,4.458457560232849,3.944669591529844,4.496520381905194,2.5601249492919544,0.0,0.0,0.0,0.0,172.33764669907276,320.5193794117887,453.1807556969512,615.6944526382651,823.3403232744372,1064.774075040734,0.0,0.0,0.0,0.0,3.3848090927230126,5.095897651357215,7.009292641583538,6.680793933506404,8.409724680654687,5.758098609759039,0.0,0.0,0.0,0.0,0.49408199190503205,0.7228379108573786,0.9350850598830485,0.8448080917135259,0.9800143892247439,0.5896292976393257,0.0,0.0,0.0,0.0,240.77637336010207,99.83006888843454,9.720575198716835,83.62196423047232,-34.67111965022048,-4.403997454259103,157.15440912962976,134.50118853865501,14.124572652975939,0.742224436624542,0.3077391506686166,0.02996493530427781,0.25777556337545793,-0.10687822850060089,-0.013575894028832603,78.10745524910459,32.38470838896069,3.153338434887909,27.1268261824237,-11.247253576935423,-1.4286494529147749,0.1502157974588056,0.14775531448727985,2.884434414029888,2.109604245507539,324.39833759057444,0.0,1.0,0.0,604.8962864595127,24.594639384620233,8.457207237365088,702.6158964518111,26.506902807604874,8.890086577698176,982.3420843086146,31.34233693119603,9.94079039521783,1.421498416748051,1.334421863870107,399.4980654494626,275.8168409405396,130.4238580102749,1.4484179576822365,3.063075050409794,2.1147729038870366,3.795090543418733,3.7853895623559457,6.3675686182097895,0.6821435451538442,3.1157584999406995,2.872001084043338,3.3273869869198727,8.027448053251106,0.16088026466510805,4.018613760525268,4.411036669591422,4.071777981020979,1.9715449960871136,4.031685661162225,0.7652379217816278,0.3459051611898525,8.484954165012444E-18,4.0144265589394925E-56,3.6633533501075656E-116,6.4478567568214284E-198,2.188936821669701E-301,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2615936283650712,2.871879064680013,0.2548387372249221,3.7468447744661066,0.01395851035432721,0.19793944751615775,0.41257017814970093,0.29670710535269657,0.9989207092568806,0.1058629482686276,0.005389794006433449,0.0024362383332942935,5.976022595888001E-20,2.827393449534342E-58,2.5801297179939103E-118,4.5412782349140077E-200,1.5416861014063247E-303,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8441895272895013,2.8718875158187442,0.8380909916481603,4.297649877095086,0.0439473734665259,0.5525125306065934,1.2256052286770627,0.986851732221448,1.1551230964661554,0.4949317951374232,0.05616454693203919,0.025387481782554688,6.227476298679301E-19,2.9463619675955825E-57,2.688694095196544E-117,4.732362055172722E-199,1.6065557822885974E-302,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.9410285716875286,2.8719877926539836,3.123750220610261,7.6511409983583745,0.15188546665965325,3.634254935796983,4.165143577047598,3.812218148426037,1.897026340901815,3.6455002761931246,0.6818133220022773,0.30819527110190087,7.559941401793481E-18,3.576781790116069E-56,3.2639818816082454E-116,5.744924286064975E-198,1.9503032994906855E-301,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.244123347644904,2.8718982032731786,1.2515162398873674,4.771653015900625,0.06453408453277622,0.9221985850010329,1.7846598033936913,1.4844950674724435,1.2749200782501373,0.8844284215202598,0.12199650543821705,0.05514500287528484,1.3526910677388233E-18,6.399891906031279E-57,5.840202855891715E-117,1.0279322753417575E-198,3.489653837762211E-302,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7627047774749425,2.8720569058964456,4.099004011853992,9.55046779932427,0.19418435443284238,5.612557381934171,5.322728252539732,5.0651171144774985,2.2644573559008787,5.627157280350726,1.1160270663219094,0.5044701688842883,1.2374508220332515E-17,5.854663854091081E-56,5.342656573422072E-116,9.403593100104425E-198,3.1923586346798507E-301,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6963389992323972,2.6868352658793624,1.5148154558695512,5.587864036249055,0.08775825821595853,1.3836383767461276,2.3352472325818443,2.025209976727667,1.4983464747329966,1.3717638774998389,0.20830730025639327,0.09415943896283319,2.3097039693039543E-18,1.0927739593332455E-56,9.97207717231549E-117,1.7551821795506343E-198,5.958542576945877E-302,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.15290076209861,1.9923806390547543,0.18582572004373077,0.6559517447105482,0.3146970349599822,0.5892578745211049,0.4535113202206387,0.2222342631262148,6.331107121197094,9.416110415561674,17.28476910450084,0.4839276170658222,1.2650034578679585,2.568142384792798,1.2227082338222832,0.03176020998891587,0.6718294118710153,0.3198620755931913,0.22536050046050313,0.1708165205346358,0.006491845756067735,3.822610828603997,3.2604870511979747,7.1828277607287925,0.507744117806523,0.4026688667512067,3.111844286050825,1.4867847346514123,0.08461834365086293,0.6644629343597924,0.3174687602385023,0.3308686119280593,0.2525608685407215,0.04608181517634271,4.6832473643531,5.015770951909202,10.090517148140602,0.4966944015396887,0.6295112956451234,4.103725218992471,1.9684990738876518,0.18104512591156285,0.6562527446299332,0.3147951802575657,0.5753860832676142,0.4427056442631999,0.2109468704480624,6.253269418791686,9.177525904743813,16.89331031078664,0.48437911694489977,1.2290385979788765,3.3869405112887296,1.620391510115941,0.11136240318476731,0.6616805439719896,0.31656343897612327,0.39194813667486916,0.29998695986320795,0.07981368393504346,5.118694424589438,6.045798177207665,11.77566836308008,0.49252081595798436,0.7717487804731205,4.3110583901624056,2.0691877439562805,0.20120096589359004,0.655031989872617,0.31439707901814196,0.6349924498093286,0.4891474343828309,0.26053097093575106,6.581447100012276,10.204100869227466,18.580338889288548,0.48254798480892547,1.3846708551279105,4.102520714792047,1.9694872889966142,0.18071880497456,0.6561170574480159,0.3149805435664277,0.5750485396831184,0.4431505330248204,0.21018712669034592,6.252726808763221,9.17718843086889,16.890098317032525,0.4841755861720237,1.2283861993982848 +UMLCN0076,L,2-methyl-2-phenylheptadecane,CCCCCCCCCCCCCCCC(C)(C)C1=CC=CC=C1,Aromatics,,C24H42,NREL (2014),Unknown,UML,,39,0,-1.5082999999999984,2.2749688899999954,91.9753,70.24530599999994,6,6,66,24,42,0,24,0,0,0,0,0.0,0.0,0.0,0.0,0.0,3505.013591999997,3970.836600000004,4970.796460000012,5059.872243000024,4656.460056000028,4176.255405000039,3620.3600340000025,3322.6823450000015,3119.829232000003,11469.922908083014,14983.343529545706,21178.64559868151,23803.18059166672,23175.79015811505,21477.376731815915,18997.292374000877,16948.266120357985,15754.965308817305,463.14787199999955,479.91292800000053,899.4815200000011,1267.8432120000018,1366.5531840000024,1322.1795720000023,1214.9447760000028,1068.244964000003,965.0492800000027,85.60734200365776,113.7024610199999,171.83112006152726,204.19883231063875,204.5040960030719,192.12783166792082,171.73646275822261,152.02812779943022,140.3389215109399,10809.60593117846,9474.211550101802,19287.53904554518,28822.493881807208,31738.833445662305,30930.87783856495,28649.43398911748,25205.82784427873,22617.366777094667,109.84027777777777,133.875,217.54166666666669,285.6249999999999,297.875,283.2083333333333,253.20833333333331,220.95833333333331,202.70833333333334,53.1062665454545,60.16419090909097,39.450765555555655,28.110401350000135,23.87928233846168,22.09658944444465,20.80666686206898,21.716878071895437,22.60745820289857,173.78671072853052,227.02035650826826,168.08448887842468,132.23989217592623,118.85020593905155,113.63691392495193,109.1798412298901,110.77298117881035,114.16641528128483,7.017391999999993,7.271408000000008,7.1387422222222305,7.04357340000001,7.007965046153858,6.995659111111123,6.982441241379326,6.981993228758189,6.993110724637701,1.29708093944936,1.7227645609090894,1.3637390481073592,1.1344379572813263,1.0487389538619072,1.016549373904343,0.9869911652771415,0.9936478941139231,1.0169487066010139,163.78190804815847,143.5486598500273,153.07570671067603,160.12496601004005,162.76324843929387,163.65543829928544,164.65191947768665,164.74397283842308,163.8939621528599,1.664246632996633,2.028409090909091,1.7265211640211642,1.586805555555555,1.5275641025641025,1.4984567901234567,1.45522030651341,1.4441721132897603,1.468900966183575,0.11310868785714398,-0.008798078972413923,-0.02992250138185431,-0.012360991277098665,-0.01426789317201746,-0.002383722322150748,-6.206497767966999E-4,0.008979456478838986,4.9384622736589265E-6,1849.0081374545446,5.5067062021407764E-12,-360.19639041321705,-233.12710823966768,-136.074191933885,-155.08455698347257,-54.02945856198532,105.05728053718914,8.004364231404569,3438.3095870717657,-2.0108359422010835E-11,-669.8005689101019,-433.5098126556957,-253.0357704771365,-288.3863560584997,-100.47008533650309,195.35849926544847,14.884457086895445,0.36220799999999986,-2.0631066299792167E-14,-0.07056000000001936,-0.04566800000000677,-0.026655999999998764,-0.03037999999999593,-0.010583999999993605,0.020580000000005656,0.001568000000003282,15.370843623148373,2.1094237467877974E-14,-2.994320186327567,-1.9379905650397704,-1.1311876259459475,-1.2892211913354688,-0.44914802794912057,0.8733433876788947,0.06654044858506888,83.49466651449364,-1.4659384817150567E-12,-16.26519477555211,-10.527195507509624,-6.144629137430056,-7.003069972806161,-2.4397792163320395,4.744015142869423,0.36144877279028687,8.16845538720539,-0.27388468013467937,1.541934496479949,0.9758666207529815,-0.17773855984082865,-0.918948002754814,-0.9665212733394485,0.21491907713498679,-0.1839799510254051,0.0017137679978355149,-1.333042268547564E-4,-2.3748016969725642E-4,-6.867217376165925E-5,-7.316868293342287E-5,-1.2612287418787027E-5,-3.566952740210919E-6,5.868925803162736E-5,3.578595850477483E-8,28.015274809917344,8.343494245667843E-14,-2.858701511216008,-1.295150601331487,-0.6978163688917179,-0.820553211552765,-0.3105141296665823,0.686648892399929,0.05800263935800412,52.09559980411766,-3.046721124547096E-13,-5.315877531032554,-2.4083878480871985,-1.2976193357801873,-1.5258537357592576,-0.5774142835431212,1.2768529363754801,0.10785838468764815,0.005487999999999998,-3.1259191363321463E-16,-5.600000000001536E-4,-2.5371111111114876E-4,-1.3669743589742956E-4,-1.607407407407192E-4,-6.08275862068598E-5,1.345098039216056E-4,1.1362318840603493E-5,0.2328915700477026,3.1960965860421174E-16,-0.023764445923234657,-0.010766614250220947,-0.005800962184338192,-0.0068212761446321095,-0.0025813105054547157,0.005708126716855521,4.8217716365991947E-4,1.2650707047650551,-2.22111891168948E-14,-0.12908884742501675,-0.05848441948616458,-0.031510918653487464,-0.03705328027939768,-0.014021719634092182,0.031006634920715183,0.0026191940057267164,0.12376447556371802,-0.004149767880828476,0.012237575368888485,0.005421481226405452,-9.114797940555315E-4,-0.004862158744734466,-0.005554719961720968,0.0014046998505554693,-0.0013331880509087326,-0.07778428995238525,-0.13857194789329322,-0.0400708694808119,-0.04269462554198395,-0.007359390206093426,-0.002081351002420381,0.03424574277600688,2.0881448684986777E-5,2.9781946821075854E-15,-0.10204081632652892,-0.0462301587301584,-0.02490842490842505,-0.029289493575208155,-0.011083743842364916,0.024509803921568415,0.002070393374741101,-5.848327183107472E-15,-0.10204081632653329,-0.04623015873015898,-0.02490842490842428,-0.02928949357520697,-0.01108374384236348,0.024509803921569536,0.0020703933747418524,-5.69591679360814E-14,-0.10204081632655863,-0.04623015873016561,-0.024908424908423762,-0.029289493575203947,-0.01108374384235784,0.024509803921575375,0.002070393374745535,1.3723539179144478E-15,-0.10204081632652931,-0.04623015873015776,-0.024908424908424102,-0.029289493575207225,-0.011083743842364033,0.024509803921568905,0.002070393374741543,-1.755727093610929E-14,-0.10204081632653941,-0.04623015873016055,-0.02490842490842405,-0.029289493575206216,-0.011083743842361958,0.024509803921571035,0.002070393374742754,-0.033529555730166194,0.09887793175827889,0.043804825267605124,-0.007364631812997679,-0.03928557627371246,-0.044881375987903864,0.011349782271183977,-0.010771976731096507,1.3865225597081832,1.1908328734220084,1.0000181733605031,0.970576053157625,0.9760152768570027,0.9501627049703502,0.8908062420961208,0.9175070399174754,1.3541666666666685,1.2666524943310673,1.0758101851851867,1.0039682539682553,0.9908037288989684,0.9539203612479487,0.9179505135387501,0.9560472739820579,1.3541666666666654,1.2666524943310644,1.0758101851851838,1.0039682539682528,0.9908037288989657,0.9539203612479464,0.9179505135387478,0.9560472739820556,1.354166666666665,1.2666524943310666,1.0758101851851856,1.0039682539682544,0.9908037288989677,0.9539203612479482,0.9179505135387491,0.9560472739820568,1.354166666666665,1.2666524943310642,1.0758101851851847,1.0039682539682537,0.9908037288989665,0.9539203612479464,0.9179505135387471,0.9560472739820546,1.3541666666666672,1.2666524943310657,1.0758101851851851,1.003968253968254,0.990803728898967,0.9539203612479474,0.9179505135387489,0.9560472739820568,1.3764764983963003,0.8699065137371009,0.9177765898522532,0.9739930184328827,0.9771372385209283,0.9055971576253786,0.7958524308567988,0.8535268226925011,331.8116822303182,165.90584111515898,267.2537846651652,331.81168223031796,13.825486759596583,165.90584111515898,-1.7053025658242404E-13,0.3326373708763372,0.013859890453180717,-2.6416856609150035,254.8523807485271,10.618849197855296,13.297642748415136,331.8116822303182,165.90584111515898,267.2537846651652,331.81168223031796,13.825486759596583,165.90584111515898,-1.7053025658242404E-13,0.3326373708763372,0.013859890453180717,-2.6416856609150035,254.8523807485271,10.618849197855296,13.297642748415136,331.8116822303182,165.90584111515898,267.2537846651652,331.81168223031796,13.825486759596583,165.90584111515898,-1.7053025658242404E-13,0.3326373708763372,0.013859890453180717,-2.6416856609150035,254.8523807485271,10.618849197855296,13.297642748415136,331.8116822303182,165.90584111515898,267.2537846651652,331.81168223031796,13.825486759596583,165.90584111515898,-1.7053025658242404E-13,0.3326373708763372,0.013859890453180717,-2.6416856609150035,254.8523807485271,10.618849197855296,13.297642748415136,331.8116822303182,165.90584111515898,267.2537846651652,331.81168223031796,13.825486759596583,165.90584111515898,-1.7053025658242404E-13,0.3326373708763372,0.013859890453180717,-2.6416856609150035,254.8523807485271,10.618849197855296,13.297642748415136,331.8116822303182,165.90584111515898,267.2537846651652,331.81168223031796,13.825486759596583,165.90584111515898,-1.7053025658242404E-13,0.3326373708763372,0.013859890453180717,-2.6416856609150035,254.8523807485271,10.618849197855296,13.297642748415136,403.78157288157024,201.21509657555825,327.18723431298764,403.403274270459,16.808469761269123,201.21509657555825,-0.5043981481483399,0.34737193049783816,0.014473830437409923,-2.5376621453682557,243.29366198636416,10.137235916098506,13.186246078200634,0,11.85,12.150340188155186,-0.2097804508563006,0.09060367307564499,5.127087049191071,10.798119169661476,24.0,66.0,63.0,60.0,18.0,3.0,0.0,0.0,0.0,6.0,45.91469399999999,3.826809699102513,3.545831516076602,3.474324693751382,3.377024039925175,3.242348344404588,3.0592793940488794,2.838466266108762,2.6191819138397197,2.0264099432343543,1.9471282493606952,1.8818172511305442,1.7943047697163066,1.7046649354934025,1.5948161636092406,1.4526204875257722,1.2953743185358282,3.838288373570695,3.5733308457647404,3.5015859767679465,3.404802583561117,3.2737977182233418,3.0956908044606153,2.880581367115646,2.64581503189868,1.9918947151009756,1.8894251631028423,1.8224319610649047,1.732957340102593,1.638149635990652,1.5180883747744798,1.3661062692308794,1.1987973798540874,3.8913204319143824,3.6935864889983607,3.6223572155459083,3.5277786945359866,3.412003891952942,3.256141565642564,3.0663078145531077,2.8574311646103703,1.9024996487089694,1.7174478322601467,1.6465612654392225,1.5524770605026788,1.4395263842342791,1.288104427119642,1.103198908144071,0.8999585899665943,3.846868419978508,3.5935571582858463,3.521731832288196,3.4253118290257354,3.296970587164062,3.122557189393625,2.911689033173315,2.678476930845303,1.9711494314189149,1.8524567314549114,1.7844685534344817,1.6938429812837645,1.5954718533399346,1.468793342249229,1.310191844607755,1.135916397787945,3.919001379674933,3.7517053401796625,3.68141571676561,3.5880985316497904,3.4790750964481973,3.3340053383989523,3.156053748584108,2.96066383031771,1.8774400411195655,1.6632283021494347,1.5916631888910087,1.4964958975985605,1.3770263983927045,1.2155096385459299,1.0193309214423953,0.8031277148340376,3.9684982550181833,3.5589114051191455,3.514229992280543,3.4334297494344823,3.3069124751275085,3.137041889105123,2.9329002779926063,2.868343924539478,1.9201707715594751,1.859287232206987,1.7716090842801089,1.6539488466173118,1.5337337062942138,1.4113186998151712,1.2501701913812437,1.0665883166536876,0,0,0,5,1,3,14,0,1,0.0,0.0,0.0,0.10206207261596577,0.051031036307982884,0.0,0.0,0.0,0.032075014954979206,0.016037507477489603,1.1948143829493563,0.20412414523193154,0.348461712529338,0.10206207261596577,1.0404401145198807,0.17677669529663687,0.20118446353109126,0.05892556509887897,2.1191350466910124,2.76034625029941,3.0307646426524846,1.5187407016891592,1.7592130689560532,1.6670993958526887,17.51237911173403,11.665831887302362,9.316155748755515,6.635011084232396,4.6865696528447,3.3103048219429425,1.9214000104658095,1.2961349767722772,0.7296824629889179,0.4860763286375984,0.3327198481698398,0.22116703614107985,0.15117966622079676,0.10344702568571695,0.07116296335058554,0.0498513452604722,16.786246282559798,10.721343774302785,8.24254956738691,5.460593568660108,3.6183835745891337,2.396557565653538,1.4772543576194042,0.9676591835881778,0.6994269284399915,0.446722657262616,0.2943767702638182,0.18201978562200358,0.11672205079319786,0.07489242392667306,0.05471312435627423,0.03721766090723761,35.37838387950334,63.64457392571023,60.235294117646966,60.96000000000007,40.769644311377306,503.82144071856294,0.5360361193864143,0.9643117261471248,0.9126559714794995,0.9236363636363647,0.6177218835057168,7.633658192705499,8.445500000000006,109.7800000000001,194.7242191885033,300.1441790002781,389.4484383770066,16.22701826570861,194.7242191885033,0.027617486876296837,0.0011507286198457016,-8.614334698591554,263.44428252780006,10.976845105325003,13.377220545875991,709,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,17.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,14.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.50075069167598,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8037504311044117,0.0,3.8894512541599484,0.0,0.0,1.8037504311044117,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.07772383927904,0.0,20.005815227406224,0.0,0.0,11.01099448678745,0.0,0.0,0.0,0.0,1.4897562048885309,0.0,0.33237690830541977,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4897562048885309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3335267097973674,0.0,0.20441830333090394,0.0,0.0,0.3335267097973674,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.294303231759979,0.0,1.3142592592592592,0.0,0.0,2.1158593997342896,0.0,0.0,0.0,0.0,1.4897562048885309,0.0,0.33237690830541977,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.280014481639833,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3929730779106331,0.0,0.28597222222222224,0.0,0.0,0.3929730779106331,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3917103037595306,0.0,1.4672414204731887,0.0,0.0,2.280014481639833,0.0,0.0,0.0,0.0,1.4897562048885309,0.0,0.33237690830541977,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,39.91666666666667,1.6631944444444446,0.3929730779106331,2.3917103037595306,0.0474927591800835,0.33237690830541977,16.372050573240326,0.9176230916945802,0.3917103037595306,4.177436652132978,0.9176230916945802,0.3917103037595306,4.177436652132978,12.0,0.5,0.0,0.0,0.44545,0.7,0.43333,0.43333,0.7,0.01212,0.01212,-0.0,0.0,0.71429,0.0,0.0,0.125,0.04167,0.04167,18.0,0.75,12.0,0.5,6.0,0.25,-6.0,-0.25,0.0,0.0,31.02495,1.29271,37.69142,6.66647,0.27777,9.72494,0.40521,11.66583,1.94089,0.08087,0.24817,0.01034,0.33417,0.01392,0.09090909090909091,24.0,0,0,0,0,0,0,0.75,0.9456603046006402,1.8924712119627762,2.6122828948759103,3.3129103167094347,3.664579689345759,3.8335434078297634,62.41358010364225,124.90309998954324,172.41067106181006,218.6520809028227,241.8622594968201,253.0138649167644,0.15645245593300455,0.31309527052541725,0.43218275368734155,0.5480963437012053,0.6062774228452718,0.6342312119509262,5.098733814757813,4.151922907395678,3.432111224482543,2.7314838026490187,2.3798144300126944,2.21085071152869,0.15480993999317005,0.30980824016556785,0.4276454835139862,0.5423421548281349,0.5999124199755721,0.6275727362564569,6.78663383797895,14.464667591663579,18.170166965821895,20.967314360250114,21.93954674466699,22.983396159701382,93.84937828450117,71.79644816670677,61.89323253130076,51.405781184537396,46.474142729988635,42.415691529253024,22.041666666666668,14.198979591836734,11.293333333333333,18,6,17,4.1,3.2525999999999993,0.3750000000000001,8.489608827142794,0.75,1.2164403991146802,32.169801218491145,3.8392295722303005,3.884584823908601,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.184,0.17099999999999999,0.4740000000000001,0.643,11.491,28.0,30.0,31.0,32.0,27.0,26.0,21.0,20.0,19.0,282.0,3.332204510175204,3.624340932976365,3.926911617921897,4.243123698247448,4.589421829019952,4.3015280939575815,4.4180873120924264,3.9427946640948996,3.9232101948187106,3.903234499395067,6.409763613196232,2.151595744680851,0.47368421052631576,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,0.625,18.0,0.75,2,10.0,19.0,0.9,3.0,1.7777777777777781,0.9375,0.4088888888888891,0.3263888888888889,0.1420408163265306,0.10590277777777779,0.08213655832703451,0.065625,0.053667993061932456,0.125,0.0634920634920635,0.034722222222222224,0.017037037037037045,0.015542328042328043,0.007891156462585033,0.006229575163398693,0.005133534895439657,0.004375,0.003833428075852318,0.305901896687196,171.4999725911065,273.4532279588131,342.9999451822131,14.29166438259221,171.4999725911065,0.2713934229257553,0.011308059288573138,-3.1300458378050706,226.85817723218292,9.452424051340955,13.018380125589797,0.0,392.4942549184028,5.584962500721157,4.653960350157523,5.3981627015177525,6.184148890937483,6.955592608396297,7.75833346749091,8.546557800046141,9.362116806941977,10.16250005226458,10.988085429818659,118.00945810757132,3.8918202981106265,0.0,5.081404364984463,0.0,6.456769655572163,0.0,7.932003152361385,0.0,9.471858124407284,9.719624808723344,330.3286513440012,5.0049795658182,47.282294307263996,1.9700955961359998,0.0,0.0,0.0,1983.0,27.0,11.82,104.0,1.2448833900145606,2.1618175963476323,2.9191737431070144,3.6359525836568647,4.702238344855793,5.783839434893489,7.0007348279073325,8.176835978748054,9.387987359721402,10.560868015963681,86.10892857404173,94.46274467452538,94.08460842552623,106.91615128030578,123.85151560158427,142.40334431003112,175.5331724175962,210.00323884680375,237.72436697257433,265.6961980844455,308.80921087521216,388.3927120641309,417.31991392771914,492.6863196179624,595.1476809425267,699.1707295492502,847.0992698514468,1010.7241114010664,1149.3518568353481,1288.1815171457868,9.087930356539047,15.484587081179402,20.619997218354687,25.630631990934056,33.04847692713884,40.55761820417492,49.05947853615369,57.37820414997222,65.84623893144278,74.06258276733196,2.2867695933306984,3.097273864773962,3.4932726828412197,4.192390297767803,5.1627990302225975,6.136019352806318,7.406994038527673,8.803036055689294,10.035003192463764,11.260167332227358,176.46779320928573,327.25799267599433,463.40150684442517,580.8240259127856,758.3009359041463,939.6513248538197,1140.0891572161381,1325.6697782037306,1524.3276979763364,1715.484678762853,2.591570424564367,3.8395511784690144,4.7514156394060425,5.807944137920362,7.301544673305753,8.68356331554041,10.404587850448015,12.329374791911043,14.178873697531014,16.018342588389125,0.4721221341559176,0.6487199475126413,0.73891633556167,0.8893407266673314,1.0990072890649991,1.3090664358000805,1.5796288352052417,1.875681735585271,2.1391743901401106,2.4008233906082874,691.1591540692458,874.4241706112186,21.521546531333268,90.44632159715621,-114.42870904883534,-5.369967984746048,600.7128324720895,988.852879660054,26.891514516079315,0.8842813613606774,1.1187538954556053,0.027535050868193897,0.11571863863932257,-0.14640213331575327,-0.006870432912675768,540.2137793774809,683.4547198047807,16.821358613699342,70.69334021422165,-89.43810556600728,-4.1971963810307855,0.04904240780480117,0.05159543774416584,0.6108091226428783,0.4948951162455623,781.6054756664021,0.0,1.0,0.0,1596.0261918909296,39.95029651818531,11.686380021022103,2003.9432687940387,44.765424925873745,12.607485408562017,3039.8230745898272,55.134590545226935,14.486031851075099,3.7746424114501917,3.7746424114501917,16723.253048635437,16616.216513340485,404.04480281989345,1.006441691176148,41.38960068764942,41.12468814689175,9.579889825009793,12.156657738030875,23.689658382630522,0.9486983094473262,12.122235697934208,18.18078513531839,9.024189283547939,83.40465798585193,29.796698917907865,13.497482681013246,19.513211807114832,20.975384709564956,61.22909975575173,12.566871621763049,9.046945235583689,56.74011344764132,11.119229700097181,66.44891836041748,6.629845907877655,7.1805227849736895,32.7702875760654,12.20386783617627,59.488513715228784,7.4366828579895605,8.857826575372744,22.697230181052845,8.168191458835516,45.24606843834163,8.996597879955523,8.48641696643953,16.963718933844582,7.130277359216547,31.79565323332225,9.331396634534114,1.0174447602759626,17.99814655645905,0.6506800768505022,22.554460968764666,2.327857233047326,1.8521507308379694,3.0321773284803695,2.2005637014864647,15.54138399915149,0.9743276449669684,1.4776467293861866,5.16419696083677,1.4553483988443703,13.088256005065787,1.243783860156469,0.5000409507543015,4.095143211557328,1.2776964733883844,10.853267529843993,0.5700488167233513,0.6912715464189418,2.3551503380841794,1.1372193450604302,8.344877466533056,0.4514324909915439,1.1008455859287296,1.7872006903706243,1.2268125362626348,5.9471806089314505,0.43882933769733795,3.284169178383171,18.01035234546355,2.170113152824573,27.673265774155553,4.278247453906498,3.458899582272,5.891727284340385,4.812693225641154,21.80759257481417,2.633126648775537,2.5018294539179284,13.382648803342397,2.693312845714083,21.34484694898454,1.8621973677764505,1.397648166417442,7.638718282218773,2.5319001565241708,18.20712868016142,1.523503850651166,1.8850149869607182,4.528873596086641,1.9500185713072036,13.823219014819554,1.609711085446281,2.2094125093578105,3.6222195190105304,1.9564767054326857,9.64632152501047,1.5742656631733507,11.442408298097588,18.160733555854158,8.444431643183115,77.09624055558903,26.821497120164555,12.512053052259676,18.325750804050344,19.394333138815018,57.349735417430594,11.606899146023908,8.399290778543051,52.76572168907024,10.267722602425827,62.24987916103522,6.129954391082706,6.606685487196532,30.197744058585236,11.189677465906401,55.60063394362638,6.857764259347712,8.190464760053844,20.751964639485543,7.517585759848622,42.260374509407335,8.26617155254515,7.893129672462546,15.587875198441637,6.6007052554427,29.655308390762055,8.546535408562072,4.840204477007077,18.026176416236655,3.2695055411813945,33.355285004708115,6.702845266760007,4.790603777854642,8.00453909137884,6.968144369325634,27.017615276806836,3.981907509195655,3.35955660565493,19.710035025166647,3.761266378621422,27.79525978064823,2.42953669593019,2.152198825025629,10.757049393016828,3.682684331097706,24.0194876803451,2.3110921964926945,2.8449925987943248,6.608532658206184,2.692774912062256,18.19379739873303,2.5788201972312166,3.0888760476115626,5.2568634079797345,2.59851216795263,12.65393450910235,2.5555318969128047,14.639330629391967,18.26509898223046,11.247000357497335,109.69493147272928,42.28129381943253,17.455500541945966,24.112523171634106,27.31943645039894,76.82161814700794,16.4053977047666,11.654140001537906,72.38308386648113,14.567064165201517,83.05466993090482,8.67392383851415,9.492373551882672,43.22298188999236,16.35101821920677,74.91734701651625,9.760177409346703,11.518849803534865,30.694399929476063,10.827083271945906,57.12578236259069,11.936408460240457,10.843355621764653,22.565098000418548,9.28198460703163,40.35386291830517,12.510414010549383,7.353032722239061,15.416228695012025,5.10293895842479,44.56923710819118,12.492820868820948,8.203917376639254,11.612701795953827,11.3872541354103,34.664007817453914,6.940227261714197,5.295858439178813,29.069418474710435,6.071436665935126,36.2989858564356,3.742184980684407,3.6937980015113054,17.101955259599325,6.130072297071478,32.150522593176966,3.815476757476007,4.618866136744953,11.176200611127571,4.356171930438958,24.753109739524824,4.3401662654439495,4.582974949912297,8.74109729937622,4.050083382537503,17.693646950134937,4.331184975839887,49.823242404341656,1.285782318788175,0.9465243913294655,0.957116834841003,0.024700197013790167,0.5721773288774549,0.4103846817171334,0.4104826267907448,52.055549114459296,112.43778266570281,225.12942981997998,0.9356752522615044,1.3930446373853331,50.52505766877661,0.7780161090311848,0.4496477203179468,0.9762782749619535,0.015033337117534218,0.588211699748228,0.15476741768692187,0.09553425141112434,51.752721498125744,62.37761894553252,131.80568152207792,0.9644174124429302,0.8385133688462743,50.2550432527318,0.9735634382546122,0.6394308657290253,0.968901960051604,0.018770007197400962,0.5819530954513855,0.24145116441544465,0.19145138553302268,51.86803755671544,81.68362502527302,164.83675937682654,0.9533529400774061,1.014855645399853,49.841516957397246,1.2725775124709418,0.933437014434972,0.9576153860904774,0.024450295262412863,0.5725850246803702,0.4026477484910527,0.39966059905175033,52.04753148430316,111.13898140492373,222.39180318013484,0.936423079135716,1.3748933722231733,50.13104448717297,1.0632758880388535,0.7271609726873199,0.9655164526464609,0.02047853528897584,0.5791158610789422,0.2866067626276958,0.24629122762969483,51.921481347899146,90.52964264551943,181.2110804662494,0.9482746789696913,1.112013851336333,49.765722244034464,1.327342126888241,0.9877698721292429,0.9555477166856954,0.025486191728300137,0.5708976640934593,0.4349970671674046,0.4453907765703294,52.080834243051946,116.52432926988365,233.85342808838868,0.9333215750285432,1.4512855078311933,49.992503246272086,1.278578184109277,0.9379100398214164,0.9575458525147779,0.02448961659868491,0.5760533177958563,0.4063676076471472,0.40332542609808175,52.20899147020278,112.00698604575177,224.16655325262536,0.9363187787721667,1.3857463515410853 +UMLCN0077,L,4-isopropyltoluene,CC1=CC=C(C=C1)C(C)C,Aromatics,,C10H14,NREL (2014),"20% Blend, CFR",PubChem,,4,0,2.2271000000000005,4.959974410000003,48.2855,26.93510199999998,6,6,24,10,14,0,10,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1456.8661059999984,1612.1404419999994,2126.7199089999986,1982.460658999998,1272.3167579999974,697.2875310000002,421.7918900000001,148.33324800000003,18.289152,4670.341439526318,5841.481646680556,8080.205750030025,8578.927598546665,6803.264278540242,4249.125410138831,2367.4049003750115,1470.0906297390145,559.5073997567447,169.46365600000004,175.05200800000006,300.845524,364.45761200000015,400.65813599999996,312.7803960000001,166.87892000000005,105.566976,120.93235199999997,34.11358066788599,43.478620340000006,62.52810234364103,69.86822115879198,60.81446311213109,40.419070106678056,22.048597958187983,14.696370434547001,8.003032287282004,3856.7906892394867,3411.659228880601,6375.036451646242,7774.000659996795,9174.123051813534,7511.02236706148,4003.8260135999885,2392.2235286275472,3328.517736436482,49.333333333333336,59.55555555555555,87.66666666666664,107.44444444444443,103.22222222222221,70.0,36.0,27.0,18.0,60.7027544166666,67.17251841666665,50.636188309523774,38.87177762745094,22.3213466315789,15.49527846666667,17.574662083333337,9.888883200000002,1.016064,194.59755998026324,243.39506861168982,192.38585119119108,168.2142666381699,119.35551365860074,94.42500911419626,98.64187084895882,98.00604198260096,31.08374443093026,7.060985666666668,7.293833666666669,7.162988666666667,7.146227686274512,7.029090105263157,6.950675466666669,6.953288333333336,7.0377984,6.718463999999998,1.4213991944952495,1.8116091808333337,1.4887643415152627,1.3699651207606272,1.066920405475984,0.8982015579261791,0.9186915815911659,0.9797580289698,0.4446129048490002,160.6996120516453,142.15246787002505,151.7865821820534,152.43138549013324,160.94952722479886,166.91160815692177,166.82608389999953,159.4815685751698,184.917652024249,2.055555555555556,2.4814814814814814,2.0873015873015865,2.1067538126361653,1.810916179337232,1.5555555555555556,1.5,1.8,1.0,0.04928506809616839,-0.00340275243258791,2.9586729747314703E-4,-0.01986730324638282,-0.022847154568877977,0.0100289069914819,0.011904254198773865,-0.012516513120150074,0.011762160832185665,706.2183858333335,-1.0658141036401503E-13,136.19926012499985,-320.32048214583347,-295.0983969374997,-2.5222085208333525,40.35533633333337,-290.0539798958333,378.3312781249999,1313.2432450621316,1.8474111129762605E-13,253.2683401191256,-595.64961472461,-548.7480702581062,-4.690154446650595,75.04247114640751,-539.3677613648044,703.5231669975707,0.13834333333333312,2.2273849431542203E-15,0.026680500000001727,-0.06274858333333144,-0.05780775000000048,-4.94083333335173E-4,0.00790533333333238,-0.056819583333333354,0.07411249999999751,5.870808328285838,1.3711254354120683E-14,1.1322273204551359,-2.662830920329635,-2.4531591943194386,-0.02096717260103359,0.3354747616163275,-2.4112248491173967,3.14507589015311,31.890324015952487,-1.0835776720341528E-13,6.150276774505034,-14.464539821521381,-13.325599678094386,-0.1138940143425965,1.8223042294830436,-13.097811649409042,17.084102151403222,4.870370370370369,-1.240740740740744,2.1435185185185177,-1.3310185185185217,-2.6041666666666674,-0.8912037037037003,1.5185185185185208,-2.3773148148148158,2.3472222222222268,0.0020535445040070163,-1.4178135135782958E-4,7.044459463646358E-6,-3.895549656153494E-4,-4.008272731382101E-4,2.228645998107089E-4,4.960105916155777E-4,-8.34434208010005E-4,6.534533795658703E-4,29.425766076388896,-4.440892098500626E-15,3.2428395267857106,-6.2807937675653625,-5.177164858552626,-0.056049078240741165,1.6814723472222237,-19.336931993055554,21.018404340277772,54.71846854425548,7.697546304067751E-15,6.030198574264896,-11.67940421028647,-9.627159127335196,-0.10422565437001323,3.126769631100313,-35.95785075765363,39.084620388753926,0.005764305555555547,9.280770596475918E-17,6.352500000000412E-4,-0.0012303643790849302,-0.0010141710526315874,-1.0979629629670512E-5,3.2938888888884915E-4,-0.0037879722222222234,0.004117361111110973,0.24461701367857658,5.713022647550284E-16,0.0269577933441699,-0.05221237098685559,-0.043037880602095416,-4.6593716891185757E-4,0.01397811506734698,-0.16074832327449312,0.17472643834183946,1.328763500664687,-4.51490696680897E-15,0.1464351612977389,-0.28361842787296826,-0.23378245049288396,-0.0025309780965021445,0.07592934289512682,-0.8731874432939362,0.9491167861890679,0.20293209876543206,-0.05169753086419767,0.05103615520282185,-0.026098402323892583,-0.04568713450292399,-0.019804526748971117,0.0632716049382717,-0.15848765432098771,0.13040123456790148,-0.06904225892410713,0.003430390454115179,-0.18969881824096005,-0.19518801387361634,0.10852679324740237,0.2415387592758413,-0.40633850709434344,0.3182075568807043,-1.509184871167714E-16,0.11020408163265291,-0.21344537815126055,-0.1759398496240599,-0.0019047619047619186,0.057142857142857176,-0.6571428571428569,0.714285714285714,1.4067547043722707E-16,0.11020408163265318,-0.21344537815126063,-0.17593984962406053,-0.0019047619047619557,0.057142857142857134,-0.6571428571428577,0.7142857142857145,1.6100414016969064E-14,0.11020408163266036,-0.2134453781512544,-0.17593984962406187,-0.001904761904769,0.057142857142850334,-0.6571428571428584,0.7142857142856913,2.335496849396223E-15,0.11020408163265404,-0.2134453781512595,-0.1759398496240601,-0.0019047619047630623,0.05714285714285611,-0.6571428571428569,0.7142857142857104,-3.3978258467744477E-15,0.11020408163265147,-0.2134453781512616,-0.17593984962405954,-0.0019047619047603836,0.057142857142858536,-0.6571428571428564,0.7142857142857186,-0.25475285171102735,0.25149375339489405,-0.1286065757101323,-0.2251350810486293,-0.09759188846641283,0.31178707224334656,-0.780988593155894,0.6425855513307999,1.1584981238066434,0.9133739312873888,1.2591933416175065,1.2352109560182922,0.979917382929553,0.6230830526466721,1.0722533810639125,0.0041321548736723175,1.1500000000000001,0.9387755102040819,1.236974789915967,1.1067669172932337,0.8761904761904764,0.8214285714285713,1.5771428571428574,0.0,1.1500000000000006,0.9387755102040817,1.2369747899159662,1.106766917293233,0.8761904761904762,0.821428571428572,1.577142857142858,0.0,1.1500000000000001,0.9387755102040818,1.2369747899159664,1.106766917293233,0.8761904761904763,0.8214285714285717,1.5771428571428574,0.0,1.1499999999999995,0.938775510204081,1.2369747899159655,1.1067669172932324,0.8761904761904755,0.821428571428571,1.577142857142856,0.0,1.1499999999999992,0.9387755102040812,1.2369747899159653,1.1067669172932322,0.8761904761904759,0.8214285714285707,1.577142857142856,0.0,1.4429657794676807,0.6621401412275936,1.1831804965332144,1.2611566940164098,0.9678073510773132,0.39353612167300395,1.8889733840304186,0.0,40.25751709133037,20.128758545665185,30.003505330623632,40.25751709133037,4.025751709133036,20.128758554117095,3.552713678800501E-15,0.14873486269110686,0.014873486269110687,-1.9055900031557764,63.534129281025585,6.353412928102559,4.151577230506448,40.25751709133037,20.128758545665185,30.003505330623632,40.25751709133037,4.025751709133036,20.128758554117095,3.552713678800501E-15,0.14873486269110686,0.014873486269110687,-1.9055900031557764,63.534129281025585,6.353412928102559,4.151577230506448,40.25751709133037,20.128758545665185,30.003505330623632,40.25751709133037,4.025751709133036,20.128758554117095,3.552713678800501E-15,0.14873486269110686,0.014873486269110687,-1.9055900031557764,63.534129281025585,6.353412928102559,4.151577230506448,40.25751709133037,20.128758545665185,30.003505330623632,40.25751709133037,4.025751709133036,20.128758554117095,3.552713678800501E-15,0.14873486269110686,0.014873486269110687,-1.9055900031557764,63.534129281025585,6.353412928102559,4.151577230506448,40.25751709133037,20.128758545665185,30.003505330623632,40.25751709133037,4.025751709133036,20.128758554117095,3.552713678800501E-15,0.14873486269110686,0.014873486269110687,-1.9055900031557764,63.534129281025585,6.353412928102559,4.151577230506448,40.25751709133037,20.128758545665185,30.003505330623632,40.25751709133037,4.025751709133036,20.128758554117095,3.552713678800501E-15,0.14873486269110686,0.014873486269110687,-1.9055900031557764,63.534129281025585,6.353412928102559,4.151577230506448,48.2064222850224,23.94987780917787,36.25686402122586,48.102422285022406,4.810242228502241,23.949877809351374,-0.17333333333332135,0.3273500351630297,0.03273500351630297,-1.1167252366778142,62.94720677214442,6.294720677214442,4.142296387339789,0,11.889999999999997,12.110155106233554,-0.15163919986236413,0.07160930764844689,5.925361353580219,8.915569697027385,10.0,24.0,21.0,18.0,4.0,3.0,0.0,0.0,0.0,6.0,15.304897999999996,3.8234731193609015,3.2695321857345054,2.7241759499039633,2.619181913839716,2.333552793103045,2.0342347496526934,1.2086568376843947,0.9414285011440504,2.010155308644068,1.7064425980939928,1.344886195465892,1.2496297225843553,1.0822503020169472,0.7554532699239462,0.43189680589800605,0.31051397192943403,3.8343687610692916,3.2965018262010073,2.763929325731995,2.6458150318986835,2.4054545878412887,2.0904117402272955,1.3071073364568222,1.0533366226901502,1.9785309212927826,1.6395677986931494,1.2544369007511051,1.134540685948351,1.0071675921888008,0.6597855911940909,0.28441600485143176,0.15015625861415766,3.884550649393019,3.4207742423825676,2.94565165600822,2.771820215479792,2.70423698723352,2.321654126374839,1.7152381316778227,1.5177937868953855,1.8950887556494895,1.4465119776370112,0.9828535376161892,0.7986202314843528,0.7603185604308993,0.36489118800318954,0.20906330776664134,0.396843082714421,3.842505949367969,3.3167039011657473,2.7936508362412344,2.665925019264035,2.457539916041691,2.1309595718637437,1.378547099612535,1.1348113653661844,1.9593335633117888,1.5971687411101987,1.196073579159667,1.0582626705327107,0.9602789912487921,0.5980586752984566,0.18556099819183472,0.04190290236346286,3.910611530171569,3.4839886831901348,3.0366639214865647,2.838982085149648,2.8380785876458883,2.4256937736070623,1.8964033670188392,1.7214642273785623,1.871444507644485,1.3885053612111493,0.8987625305572171,0.7385642758080622,0.6313372621875571,0.26546159574311595,0.38372307587807053,0.5943111067077895,3.8469035128785145,3.293825076461904,2.846399753094078,2.7481616058393312,2.5562115653307074,2.181511415412517,1.3967877799876394,1.2488807914330717,1.9584939721788666,1.587802240995716,1.1164934121730195,0.9490687081878532,0.8664828056818075,0.5454897689783038,0.12207490738818899,0.08372612269511721,0,0,0,4,2,3,0,1,0,0.0,0.0,0.0,0.08333333333333333,0.13144585576580214,0.0,0.0,0.0,0.027777777777777776,0.04381528525526738,0.7886751345948129,0.0,0.16666666666666666,0.0,0.5515668461264172,0.0,0.09622504486493763,0.0,1.448688404983744,1.404193778638575,1.4982668271404167,0.8293446239041949,0.6540834828831256,0.6048195192193406,7.560477932315068,4.698377302757664,4.263968845143928,3.003322558366081,1.95252974511572,1.4491352930730959,0.9199574179672634,0.19245008972987526,0.7560477932315068,0.4698377302757664,0.32799760347260987,0.21452303988329152,0.13946641036540858,0.09057095581706849,0.07666311816393862,0.048112522432468816,6.886751345948129,3.7647428780199825,3.06538414090221,1.7440169358562927,0.9513530918323413,0.6071224016819727,0.3911917713515212,0.06415002990995841,0.6886751345948129,0.37647428780199826,0.23579878006940075,0.12457263827544948,0.06795379227373867,0.037945150105123296,0.03259931427929343,0.016037507477489603,13.792794626501124,23.214857975236704,22.078431372549026,22.319999999999997,15.589881437125744,181.42586946107787,0.5746997761042135,0.967285748968196,0.9199346405228761,0.9299999999999998,0.6495783932135727,7.559411227544911,2.838020000000001,44.17100000000003,41.38554760924701,57.245453800776076,82.77109521849403,8.277109521849402,41.38554760924701,0.1645164260475453,0.01645164260475453,-1.804744859369456,43.266750754587235,4.3266750754587235,3.7673844590804357,88,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,3.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,4.0,1.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.472222222222221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.523888888888889,0.0,0.9312500000000001,0.0,0.0,1.523888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.541111111111111,0.0,0.0,0.0,0.0,8.712962962962964,0.6533333333333331,0.0,0.0,0.0,2.7592592592592595,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3374074074074076,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3753472222222222,0.0,0.28597222222222224,0.0,0.0,0.3753472222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1151851851851853,0.0,0.0,0.0,0.0,2.162037037037037,0.6533333333333331,0.0,0.0,0.0,1.3374074074074076,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1944444444444446,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38659722222222226,0.0,0.35930555555555554,0.0,0.0,0.38659722222222226,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.212962962962963,0.0,0.0,0.0,0.0,2.1944444444444446,0.6533333333333331,0.0,0.0,0.0,1.421851851851852,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.666666666666668,1.8666666666666667,0.38659722222222226,2.212962962962963,0.12194444444444447,0.6533333333333331,6.260454444444445,0.6800000000000002,0.21296296296296297,2.508148148148148,0.6800000000000002,0.21296296296296297,2.508148148148148,5.0,0.5,0.0,0.0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,-0.0,0.0,0.71429,0.0,0.0,0.3,0.3,0.0,11.0,1.1,5.0,0.5,6.0,0.6,1.0,0.1,0.0,0.0,6.98832,0.69883,11.95289,4.96457,0.49646,2.70145,0.27014,4.69836,1.99691,0.19969,0.21564,0.02156,0.30164,0.03016,0.25,10.0,0,0,0,0,0,0,0.4,0.9798687566511528,2.367492461184755,2.9906015629507228,3.240601562950723,3.272055208874201,3.188721875540867,23.516850159627666,56.81981906843413,71.77443751081735,77.77443751081736,78.52932501298082,76.5293250129808,0.21371358140814276,0.5163602670277845,0.6522630364981914,0.7067891094945743,0.7136492846690781,0.695473927003617,3.605093744070004,2.2174700395364018,1.5943609377704342,1.3443609377704338,1.312907291846956,1.39624062518029,0.20607611772209405,0.4979071450391936,0.6289531690476382,0.6815306485119265,0.688145662202401,0.6706198357143048,6.772325919164824,17.88939319380569,19.433392724899136,22.43339272489914,20.633063335275146,20.549077915941815,37.92632203826385,26.78820794614243,24.549123442337763,20.08671719053487,22.11980000384617,22.33521354557293,8.1,3.408284023668639,2.2857142857142856,2,6,0,2.56,1.2800000000000005,0.7211247851537042,3.8883225944793316,3.867776753289419,0.0,3.3019272488946267,7.065551058002885,0.0,1.3103706971044482,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.147,0.132,0.4900000000000001,0.657,4.666,13.0,14.0,14.0,16.0,12.0,4.0,0.0,0.0,0.0,93.0,2.6390573296152584,3.1570004211501135,3.590439381300684,3.9866665484239117,4.466626251540024,4.176308500073531,3.446011397451948,0.0,0.0,0.0,5.753167699836944,3.3783602150537635,0.5,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.1,4.0,0.4,0,3.0,6.0,1.0,2.5,1.333333333333334,0.5,0.38222222222222235,0.23611111111111113,0.0,0.0,0.0,0.0,0.0,0.25,0.10256410256410262,0.045454545454545456,0.06370370370370372,0.0787037037037037,0.0,0.0,0.0,0.0,0.0,0.5404260554260555,24.794570741056727,37.39674508494395,49.589141482113476,4.958914148211347,24.79457074113257,0.015455772100311849,0.001545577210031185,-4.169772746683323,91.09660651613537,9.109660651613536,4.511920553474804,0.0,150.3504701562669,4.321928094887363,3.8501476017100584,4.61512051684126,5.424950017481403,6.2166061010848646,7.027314514039777,7.824445930877619,8.635331719433278,9.433563920090563,10.244485248089557,83.27196556964839,3.044522437723423,0.0,4.290459441148391,0.0,5.733341276897746,0.0,7.256297239690681,0.0,8.815963560853438,9.055672891964043,134.109550448,5.587897935333333,19.385708226955547,1.9385708226955547,0.0,0.0,0.0,120.0,11.0,3.8339999999999996,46.0,1.2359293225400425,2.155114745176125,3.0055845823075926,3.7271004997822597,4.548111904811551,5.595663245270992,6.669378682140144,7.027030183369692,0.0,0.0,92.7616177251147,120.32968618406237,124.7880973547613,93.2046937170075,77.66654731836103,107.35023696317835,66.21312854237188,7.139912396235342,0.0,0.0,323.5789177518714,444.8255627232234,527.7268846185802,476.0769814274555,455.3360162862988,576.0966087467845,655.6036104528615,218.42641032829656,0.0,0.0,9.045833162482351,15.498336673277587,21.526450009866856,26.279521668094468,31.692630579241648,38.95649930534322,46.94711524456144,47.210849313882676,0.0,0.0,2.362509317279424,3.387415227555165,4.250943409284247,4.175138543588356,4.2593459028539415,5.283090959092847,6.550084092541851,3.1243083022896,0.0,0.0,173.74978465213667,322.81720384398216,454.73814204475394,593.8649743348859,753.0492902115179,930.1286138889947,1062.8964117154255,1299.4219222122513,0.0,0.0,3.1454686423187677,4.686431591370657,6.477988406510124,6.974434916415113,7.267088984256723,8.563075774400088,12.028362033098707,7.027030183369692,0.0,0.0,0.486472118928774,0.7038752690817935,0.8917543483132813,0.8895120860669822,0.9183008258857995,1.1362444499821556,1.4203404861430486,0.7195678907770565,0.0,0.0,297.2982066874689,150.7370022103913,10.563917356332434,97.86820334156819,-49.62142135937344,-5.052360290905028,199.43000334590073,200.35842356976474,15.616277647237462,0.7523367349609074,0.3814519614643235,0.026732832265668003,0.2476632650390927,-0.12557094960507204,-0.012785399170273043,117.48226504475775,59.56620002201936,4.174505297545323,38.67422657047931,-19.608718939121783,-1.9965230783302015,0.12237236545407859,0.11567533420589901,1.3779278340634704,1.0877121470984472,395.1664100290371,0.0,1.0,0.0,729.0594247518126,27.001100435941726,9.000244539659288,865.5271790712613,29.419843287673395,9.530014688487976,1280.8419904032237,35.78885287911899,10.860050687864852,1.8003812343410643,1.8003812343410643,715.4922216522787,616.3925227887399,151.2657496827344,1.1607736875443957,4.730034546174239,4.074898145029955,4.3593712817156725,4.34076194754049,7.720528634941802,0.7786113885642392,4.231371064679827,4.843393601678765,4.797889436315469,11.409817880176956,3.859301977156953,7.190473532999191,6.122310636364967,9.076447790120943,4.4233876504367124,4.3214346047119365,1.9181999247236914,4.212507980062267,4.367577103075761,3.249740880378676,5.78613672203991E-4,4.3142383643407E-27,8.074801295438694E-72,3.022229581831882E-138,2.193331894346951E-226,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3552184645252605,4.769353178178466,0.3564157538123438,6.98174085179189,0.49641635373634224,1.0102637361791273,1.3674762533876723,1.474789668365437,1.1080092131057204,0.34045245680005143,0.08763640219993456,0.4417130720217368,0.36166201036134077,0.022888193425288212,4.075223403844647E-6,3.0385533554981906E-29,5.687148576220571E-74,2.1285810058305696E-140,1.544781587029349E-228,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.14642243568174,4.774301154472372,1.180379764648467,7.6233415681873,0.8553371582569623,1.8582719553559996,2.2129851131476195,2.709768428467601,1.5425622204892204,1.0444010654787137,0.33116216701165263,0.8513574625328418,1.1707036196901603,0.23851260127013846,4.246696988182097E-5,3.1664068701242376E-28,5.926447297881854E-73,2.2181455225336386E-139,1.6097815169709849E-227,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.994075280772753,4.83526477035928,4.496751912878326,11.045953788298021,3.537564272143313,6.665841373647192,5.786983046561884,8.499048223308733,4.134745027873421,4.039283289848403,1.7600980027167923,3.854287000767824,4.119277391653603,2.895460619420859,5.155343648379387E-4,3.843908711053975E-27,7.194502579207873E-72,2.692752146573597E-138,1.954219230119238E-226,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6895595768136211,4.780716059009496,1.7705414046443644,8.141652018361045,1.1989712726522073,2.563181016435433,2.8305316216549254,3.651571990272495,1.912779396281781,1.5599015520284638,0.5369736397865943,1.2394733485828622,1.7286540012467333,0.5180812349768131,9.224393330128851E-5,6.877858838181782E-28,1.2873035462165965E-72,4.818108478248957E-139,3.496660564536404E-227,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.109971111340909,4.877574140369644,5.946058798459162,12.862387999429442,5.182107045254805,9.299044939116053,7.414109007244633,11.341501854392334,5.589381763526092,5.40975788826743,2.5558507532532375,5.683464476478722,5.290394095976342,4.73944164950286,8.438536618865247E-4,6.291911195483706E-27,1.1776338806870998E-71,4.407637811212133E-138,3.1987684351237773E-226,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3754137944450275,3.9192335505562115,2.3219347236720846,8.664242836112718,1.741403933127106,3.606731084266313,3.8032522050487794,4.826192734914364,2.399911704727105,2.160744513227153,0.6935388640080337,1.842422471751078,2.4886889944250568,0.9326424820845973,1.6605621970140045E-4,1.2381423877253283E-27,2.3173855758593187E-72,8.673490509083844E-139,6.294638727398773E-227,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.212804560140291,1.6569853494217284,0.49658937126473224,0.7425917893034311,0.19805286059873534,0.5722301197579189,0.5373958307330582,0.36370539493186427,8.366379280826752,14.202580158147903,27.681111699809236,0.6138876839551467,1.4733313454228414,4.433847299171324,0.9336596557575876,0.19685393101531917,0.7968295712758993,0.1677927932596975,0.29143897319528644,0.17049197696108837,0.05679664136783558,5.564360885944231,5.19631918685583,11.575597145965919,0.6952443569138489,0.5187275915242104,5.065684711347424,1.1905763979360562,0.3033180020533053,0.7722575832026334,0.18150194970259717,0.38042113853697807,0.27733565597574755,0.13523841128501174,6.559579111336785,7.928721276707426,16.31763693633358,0.6583863748039501,0.7929952057977374,6.160379137120574,1.6356703456321002,0.48775686113640826,0.7436652767317589,0.1974539574840164,0.562613114636582,0.5236526077024753,0.35084124930779514,8.283806343889083,13.878926097410352,27.07754103168968,0.6154979150976383,1.4371069716468527,5.376594723963003,1.31699325541379,0.35570314271076303,0.7627142404597974,0.1868263393587552,0.4285530319804412,0.33940324710106484,0.18618957617211665,7.049291122087556,9.461869268827956,19.02987264248686,0.6440713606896961,0.9541458552536226,6.380277288944685,1.72507561845689,0.5248046094328391,0.73930021282914,0.19988923899614483,0.6034976767628689,0.5824905896646292,0.40635534199949686,8.630157516834414,15.260187357036912,29.666586230085272,0.60895031924371,1.592343608426995,6.161976283787907,1.6377625665431808,0.48759740085971287,0.7435412413611789,0.1976223139622037,0.5629079686427738,0.5250023131667624,0.3506858829038096,8.287336251190801,13.894986484320658,27.10308456136468,0.6153118620417685,1.4385961647133456 +UMLCN0078,L,2-tert-butylnaphthalene,CC(C)(C)C1=CC2=CC=CC=C2C=C1,Aromatics,,C14H16,NREL (2014),Unknown,PubChem,,3,0,3.3084000000000007,10.945510560000004,67.0595,35.30868799999998,10,11,30,14,16,0,14,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2035.954717999998,2357.6752229999997,3461.418262000002,3458.3798120000033,2572.816526,1855.4696259999967,1337.841966999998,745.6302029999998,163.57420800000003,6426.576535385498,8188.539388168244,12236.067714885568,13987.293982124702,11857.590950212712,8683.834352123147,6351.859015480877,4449.8035588202565,1936.3467962029677,213.0626480000001,226.98985199999998,390.06306400000005,512.2128800000007,626.616248000001,471.13098399999984,325.18207600000005,267.7469880000002,206.34393600000013,46.15840647758402,59.65020896,90.96883527364089,109.8930341893959,101.15461828516777,74.63774054122493,54.25441982303706,40.65143679849005,21.365564007281986,4733.803417647985,4351.876104756399,7975.553299594943,10472.317472403294,14276.755401690672,10790.806388319028,7272.676209480639,6057.623281334992,5165.988308991283,65.89583333333334,80.36111111111111,122.69444444444446,163.5277777777778,165.16666666666669,118.91666666666664,86.66666666666667,71.25,42.0,67.8651572666666,76.0540394516129,64.10033818518522,48.70957481690146,28.908050853932586,27.693576507462637,29.083521021739088,19.621847447368417,5.452473600000001,214.21921784618326,264.14643187639496,226.59384657195497,197.00414059330566,133.23135899115408,129.60946794213652,138.08389164088862,117.10009365316465,64.5448932067656,7.10208826666667,7.32225329032258,7.223390074074075,7.214265915492968,7.040632000000011,7.031805731343281,7.069175565217392,7.045973368421058,6.878131200000004,1.5386135492528008,1.924200289032258,1.6846080606229794,1.5477892139351537,1.136568744777166,1.113996127480969,1.179443909196458,1.0697746525918435,0.7121854669093995,157.79344725493283,140.38310015343225,147.69543147398042,147.4974291887788,160.41298204146824,161.05681176595564,158.10165672783998,159.41113898249978,172.19961029970943,2.1965277777777783,2.592293906810036,2.272119341563786,2.3032081377151803,1.855805243445693,1.7748756218905468,1.884057971014493,1.875,1.4,0.06614919000244615,-0.011744819624012505,0.006799159756358431,-0.01774322564382835,-0.03287523156244505,0.013432710976752952,0.011571818857963585,-0.01885392216253789,0.0031042539735030277,903.9595338666663,34.43655367111023,301.8579157733324,-622.0102506844465,30.131984462222164,39.27919403111119,-199.62439706222233,-386.33508649777787,112.99494173333397,1680.9513536795284,64.0362420449346,561.3176841751288,-1156.654621936629,56.031711789317086,73.0413385825029,-371.21009060423,-718.4065904416086,210.11891920994077,0.1770794666666665,0.006745884444446446,0.05913189333333524,-0.12184753777777524,0.00590264888888756,0.007694524444443202,-0.039105048888889174,-0.07568039111111155,0.02213493333333142,7.514634660205868,0.2862717965792828,2.5093512168901846,-5.170784325713071,0.2504878220068524,0.3265287679732233,-1.659481820795465,-3.2116117178737014,0.9393293325257218,40.81961474041918,1.55503294249191,13.630835636532586,-28.087782523764893,1.3606538246808424,1.7737094500302857,-9.01433158850918,-17.44552582358382,5.102451842552625,6.393750000000006,-1.8034027777777784,3.8780555555555556,-2.6672916666666673,-1.122291666666663,0.06506944444444374,-0.13361111111111112,-3.0161111111111127,0.10208333333333375,0.0022049730000815383,-3.788651491616937E-4,1.2591036585848947E-4,-2.4990458653279365E-4,-3.6938462429713536E-4,2.0048822353362615E-4,2.515612795209475E-4,-4.961558463825761E-4,1.0347513245010093E-4,30.13198446222221,1.110856570035814,5.58996140320986,-8.760707756118965,0.33856162317103555,0.5862566273300177,-4.339660805700485,-10.166712802573102,3.7664980577777993,56.03171178931761,2.0656852272559547,10.394771929169051,-16.290910168121535,0.6295697953855852,1.0901692325746701,-8.069784578352825,-18.905436590568648,7.003963973664693,0.005902648888888883,2.1760917562730473E-4,0.0010950350617284304,-0.0017161625039123273,6.632189762795011E-5,1.148436484245254E-4,-8.501097584541125E-4,-0.0019915892397660935,7.378311111110473E-4,0.25048782200686226,0.009234574083202671,0.046469466979447864,-0.07282794824947987,0.0028144699101893527,0.004873563701092885,-0.03607569175642315,-0.08451609783878161,0.031310977750857394,1.3606538246806394,0.05016235298361,0.25242288215801084,-0.395602570757252,0.01528824522113306,0.026473275373586354,-0.19596373018498217,-0.4590927848311532,0.1700817280850875,0.2131250000000002,-0.05817428315412188,0.07181584362139917,-0.03756748826291081,-0.012610018726591718,9.711857379767722E-4,-0.0029045893719806767,-0.07937134502923981,0.0034027777777777914,-0.17182303327418683,0.057102905955688975,-0.1133368011869317,-0.16752342286435062,0.09092547778417796,0.11408814507553831,-0.22501674458790588,0.04692807233751819,0.036866359447003685,0.18551587301587255,-0.2907444668008059,0.011235955056179758,0.019456289978678085,-0.14402173913043492,-0.3374060150375942,0.12500000000000078,0.03686635944700471,0.1855158730158732,-0.2907444668008051,0.01123595505617967,0.01945628997867793,-0.1440217391304351,-0.3374060150375943,0.12499999999999985,0.036866359447015586,0.18551587301587916,-0.290744466800799,0.011235955056177256,0.019456289978674914,-0.14402173913043598,-0.33740601503759626,0.12499999999998931,0.03686635944700611,0.18551587301587383,-0.290744466800804,0.011235955056179333,0.01945628997867757,-0.144021739130435,-0.3374060150375943,0.12499999999999845,0.036866359446998696,0.18551587301586964,-0.29074446680080757,0.01123595505618145,0.019456289978679864,-0.14402173913043387,-0.3374060150375922,0.12500000000000558,-0.27295851333312293,0.33696583517372014,-0.1762697396500212,-0.059167243291925894,0.004556883228043502,-0.013628571833340406,-0.3724168681723859,0.015966112740306338,1.1820279063241415,0.7706073966659162,1.1287985888795018,1.0502054073726674,0.9423651694000836,0.8541490249855432,1.2817803439964908,0.9716592537391103,1.0023041474654388,0.8271329365079373,1.285525653923543,0.9382524077046561,0.9275053304904061,1.097631987577641,1.2776080827067684,0.7767857142857149,1.002304147465438,0.8271329365079366,1.2855256539235411,0.9382524077046548,0.9275053304904051,1.0976319875776397,1.277608082706767,0.7767857142857146,1.0023041474654373,0.8271329365079361,1.285525653923541,0.9382524077046543,0.9275053304904045,1.097631987577639,1.2776080827067662,0.776785714285714,1.0023041474654377,0.8271329365079366,1.28552565392354,0.9382524077046541,0.9275053304904052,1.09763198757764,1.277608082706767,0.7767857142857144,1.0023041474654373,0.8271329365079364,1.2855256539235398,0.9382524077046539,0.9275053304904043,1.0976319875776392,1.2776080827067664,0.7767857142857137,1.3554203148375872,0.5701680283520183,1.177395643547391,1.0480972586808024,0.8976865428478324,0.943221367485041,1.4360498019241639,0.9071358748778096,64.7859722977782,32.39298614888907,47.98822963815518,64.78597229777819,4.627569449841299,32.39298614888913,-5.6843418860808015E-14,0.2189460892968438,0.015639006378345987,-2.1265016458898414,114.38413413373601,8.170295295266857,6.635387334359714,64.7859722977782,32.39298614888907,47.98822963815518,64.78597229777819,4.627569449841299,32.39298614888913,-5.6843418860808015E-14,0.2189460892968438,0.015639006378345987,-2.1265016458898414,114.38413413373601,8.170295295266857,6.635387334359714,64.7859722977782,32.39298614888907,47.98822963815518,64.78597229777819,4.627569449841299,32.39298614888913,-5.6843418860808015E-14,0.2189460892968438,0.015639006378345987,-2.1265016458898414,114.38413413373601,8.170295295266857,6.635387334359714,64.7859722977782,32.39298614888907,47.98822963815518,64.78597229777819,4.627569449841299,32.39298614888913,-5.6843418860808015E-14,0.2189460892968438,0.015639006378345987,-2.1265016458898414,114.38413413373601,8.170295295266857,6.635387334359714,64.7859722977782,32.39298614888907,47.98822963815518,64.78597229777819,4.627569449841299,32.39298614888913,-5.6843418860808015E-14,0.2189460892968438,0.015639006378345987,-2.1265016458898414,114.38413413373601,8.170295295266857,6.635387334359714,64.7859722977782,32.39298614888907,47.98822963815518,64.78597229777819,4.627569449841299,32.39298614888913,-5.6843418860808015E-14,0.2189460892968438,0.015639006378345987,-2.1265016458898414,114.38413413373601,8.170295295266857,6.635387334359714,81.0711028189836,40.07018290341941,60.24268262558722,80.92824567612645,5.780588976866175,40.07018290341941,-0.25000000000004974,0.4321657541175012,0.03086898243696437,-1.1745245039380112,126.87025733406017,9.062161238147155,6.780430955870789,0,11.850000000000003,12.150172447925994,-0.20562669826548574,0.09458681120128971,6.8679921875,10.042733454888282,15.0,31.0,26.0,20.0,4.0,5.0,0.0,0.0,0.0,11.0,17.491311999999997,4.000916237530621,3.531694157982806,3.1197152608690955,2.8525886235331477,2.430918067105373,2.333552793103048,2.3335527931030455,2.1959887555324804,2.123457572268109,1.8355408342256276,1.4857509823655581,1.2496297225843558,1.2496297225843556,1.194178643934054,0.8520457230432268,0.7659399833391133,4.008120426819817,3.5486515373440337,3.143273421673329,2.871668068020926,2.451566062416629,2.405454587841289,2.4054545878412887,2.2307435710964283,2.10268688510399,1.784268815320172,1.4310867103271545,1.1361560093215266,1.1345406859483504,1.1345406859483498,0.7703800827019894,0.6830896908981616,4.041140060204904,3.62914894928842,3.24978554014811,2.962032316200418,2.7042369872335197,2.704236987233519,2.552186401917086,2.3953417451803953,2.048049714803903,1.6464291117152206,1.2714629128097852,0.9813990474174843,0.760318560430898,0.760318560430898,0.5745602305284335,0.42991553928256243,4.013491302896174,3.5614529348799615,3.1608119784711723,2.8860605759682185,2.4672573104323643,2.457539916041694,2.457539916041692,2.2570583972310208,2.090109345308703,1.7526977096879335,1.3963558913218383,1.1005998224518596,1.0582626705327116,1.0582626705327105,0.722299697743534,0.629255666641482,4.0582183616831475,3.6720258065904834,3.30282372860106,3.0100813874363017,2.8389820851496483,2.8389820851496483,2.6084015444513375,2.4802213581946653,2.0325370321862035,1.6078060039665405,1.2224328115969012,0.9381015045026688,0.6313372621875608,0.6313372621875604,0.524993052337285,0.35210943650060395,4.005050472947984,3.533516604606141,3.2000665670153494,2.925515665453277,2.552458590412656,2.5524585904126544,2.476884040645885,2.3177890203904163,2.100967187945013,1.7716533981164537,1.3318860423723073,1.0460559281253736,0.9524585904126559,0.9524585904126549,0.684316158266467,0.5587614873253461,0,0,0,7,3,3,0,0,1,0.0,0.0,0.0,0.15137471507731048,0.24809686593468416,0.0,0.0,0.0,0.051834038994012184,0.07188092334087419,1.8436963044151786,0.2886751345948129,0.5163460352255527,0.14433756729740646,1.5,0.25,0.27777777777777773,0.08333333333333333,2.7643359354823502,3.432250631422693,4.376564585856523,1.5842589165775225,1.6160254037844386,1.705228872267916,10.181798275874714,6.571498210711325,6.680617719576119,4.764427870432964,3.6599268494137727,3.051538162937456,2.0041942809715545,1.3631392625097751,0.7272713054196224,0.43809988071408834,0.3036644417989145,0.18324722578588323,0.11806215643270235,0.0762884540734364,0.05138959694798858,0.035872085855520396,9.041451884327383,5.065384140902212,4.811929817208263,2.6154910180492497,1.6558313121703336,1.1704859826054603,0.6838436830232897,0.3945808954606361,0.6458179917376702,0.33769227606014746,0.2187240826003756,0.1005958083865096,0.05341391329581721,0.029262149565136508,0.017534453410853582,0.010383707775279898,18.334622430286984,29.102694828841948,27.80392156862746,28.079999999999988,20.388435928143725,224.68220838323356,0.6111540810095661,0.970089827628065,0.9267973856209153,0.9359999999999996,0.6796145309381242,7.489406946107786,4.137300000000003,62.64800000000004,100.93700871241742,135.20540620067283,201.87401742483485,14.419572673202492,100.93700871241742,0.24942719970429506,0.01781622855030679,-1.9440234675684782,80.61283087357428,5.7580593481124485,6.1455209603518,161,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,3.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,1.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.268500566893426,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.862914186507936,0.0,0.9210809948979592,0.0,0.0,2.862914186507936,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.741388888888888,0.0,0.0,0.0,0.0,15.21607001133787,0.0,0.0,0.0,0.0,1.3992592592592594,2.6531712962962963,0.24011054421768696,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3199074074074075,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3753472222222222,0.0,0.30702699829931973,0.0,0.0,0.3753472222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2471296296296295,0.0,0.0,0.0,0.0,2.0824357520786094,0.0,0.0,0.0,0.0,1.3992592592592594,1.3199074074074075,0.24011054421768696,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.287037037037037,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4331792091836735,0.0,0.30702699829931973,0.0,0.0,0.4331792091836735,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2471296296296295,0.0,0.0,0.0,0.0,2.287037037037037,0.0,0.0,0.0,0.0,1.3992592592592594,1.333263888888889,0.24011054421768696,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,26.25,1.875,0.4331792091836735,2.287037037037037,0.10416666666666669,0.24011054421768696,8.686723081538172,1.009889455782313,0.287037037037037,3.914917800453515,1.009889455782313,0.287037037037037,3.914917800453515,7.0,0.5,0.0,0.0,0.48667,0.7,0.44,0.44,0.7,0.04667,0.04667,-0.0,0.0,0.71429,0.0,0.0,0.21429,0.21429,0.07143,17.5,1.25,7.5,0.53571,10.0,0.71429,2.5,0.17857,0.0,0.0,10.55716,0.75408,19.78194,9.22479,0.65891,3.42436,0.2446,6.57148,3.14712,0.22479,0.34252,0.02447,0.51452,0.03675,0.3333333333333333,43.0,0,0,0,0,0,0,0.2857142857142857,0.9967916319816367,2.4206512148101607,2.8505377798848195,3.4389205950315938,3.5055872616982606,3.664083511770376,29.9037489594491,72.61953644430481,85.51613339654459,103.1676178509478,105.16761785094782,109.92250535311128,0.20314119757912016,0.4933167283119277,0.5809254810848937,0.7008349846049752,0.7144213210776756,0.746722071824791,3.910098963626882,2.486239380798358,2.056352815723699,1.467970000576925,1.401303333910258,1.2428070838381426,0.1920665372543437,0.46642255192775645,0.5492551332987594,0.6626275235349622,0.6754731729225889,0.7060129817877886,6.644859528439603,17.934930849493767,23.09356963038967,25.4287750724578,25.219368224426553,26.388511560758616,50.84059815238854,39.76223759070836,30.254527275436867,25.634572676126144,26.032299750540012,23.965927068977372,10.515555555555556,3.8677685950413223,2.3431952662721893,4,10,3,3.0,1.648999999999999,1.5000000000000004,4.539210135497085,2.6316159643915795,3.0,8.780973944665202,10.61787551781312,1.9681153135510978,1.6509636244473134,1.3103706971044482,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.244,0.231,0.8160000000000001,1.379,6.931,22.0,26.0,31.0,40.0,39.0,38.0,30.0,27.0,11.0,293.0,3.068052935133617,3.7256934272366524,4.3208159036289855,4.912654885736052,5.537826271948511,5.791583470370451,6.123862485115446,6.336535312872941,6.612361254054756,5.731873776697638,7.9845146367924755,10.014171821672354,0.42857142857142855,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,3.0,0.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.06666666666666667,4.0,0.26666666666666666,0,4.0,7.0,0.75,4.0,2.000000000000001,0.8125,0.8355555555555558,0.49305555555555564,0.14367346938775508,0.08333333333333334,0.0,0.0,0.0,0.26666666666666666,0.09090909090909095,0.040625,0.059682539682539705,0.04930555555555556,0.020524781341107867,0.02777777777777778,0.0,0.0,0.0,0.5554914119327387,42.30069926003733,63.08936756508056,84.60139852007467,6.042957037148191,42.30069926003733,0.01939642061453363,0.0013854586153238307,-5.519733428077918,95.77592232553457,6.841137308966755,6.386815848936052,0.0,191.0050325573336,4.807354922057604,4.31748811353631,5.14166355650266,6.028278520230698,6.878326468291325,7.763446388727362,8.622093601241607,9.505320746909074,10.367693155666892,11.249363483526032,98.87367403463196,3.4339872044851463,0.0,4.77912349311153,0.0,6.326149473155099,0.0,7.956827122090111,0.0,9.627140989748092,9.838682329170013,184.125200512,6.137506683733333,28.144025151128197,2.0102875107948712,0.0,0.0,0.0,288.0,20.0,4.996000000000001,74.0,1.2526292701797703,2.199500298475252,3.0643574980077823,3.7396071494211416,4.620959676633217,5.79440162224787,6.6977947760312615,7.488806521135938,8.333173832824592,0.0,105.14974276613032,153.34150659040162,156.7456942883005,123.40776920129116,144.3595440349693,183.08660824195593,136.87133169959995,40.84313724383253,8.467037937275089,0.0,353.9670295453169,530.8219802521315,623.2616962921476,541.5384602417763,651.6225294614801,837.0439953182183,806.3872153278686,483.4442977043987,259.0262457180353,0.0,9.203690537213724,15.949842342904674,22.144188373140942,26.425723587290015,32.636901393184885,41.026513426073784,47.268779533809855,51.50937590567943,55.98612840157406,0.0,2.5355866667798472,3.8945304118940243,4.85694396743804,4.513406971295625,5.487354428905515,7.045346835868918,7.319710034871841,5.3340595341426384,3.7050366244238173,0.0,173.87925296819782,320.56756330829546,449.42395743470195,592.9639703619267,733.5879386021667,911.7169890868925,1061.8291971272392,1289.5391272264505,1540.9509390758353,0.0,3.3194862697805037,5.198757239781681,7.182173015416946,7.21401790860587,8.570948610773923,11.168465281671544,12.760052829401193,10.485286425492928,8.333173832824592,0.0,0.5202171902825729,0.8034007323601132,1.0123296374824602,0.9540016285342461,1.1617827559286336,1.4907903900246493,1.5666550108010067,1.1791694226038418,0.8533170004812385,0.0,317.2744162744013,206.10025964561783,13.12990534743227,136.20410947054367,-88.47767385820615,-6.8293327666722075,181.07030680385762,294.57793350382394,19.95923811410448,0.6996459551269899,0.4544873636674411,0.02895375326949235,0.30035404487301015,-0.19510885044194937,-0.015059881293063272,143.87713454870348,93.46204189974513,5.954130120124255,61.76563876310524,-40.122725102561375,-3.0969557548521585,0.0964449367746262,0.09416088036504766,1.04971129694277,1.2910974605607253,453.47852574494493,0.0,1.0,0.0,1099.8854636625144,33.16452115834804,10.32244285854073,1256.3642270263554,35.44522855091155,10.790424259810456,2122.0339721405635,46.065539963627515,12.850423605147741,1.5868171720745767,1.5868171720745767,1350.9501069454063,1177.3558364118335,282.1775295743482,1.1474441839627918,4.787589249162583,4.172394018006396,5.1118118652633315,5.2702940325871035,8.93026902303617,0.6944536619434954,5.0341659973059025,6.570860772819632,6.345209151317054,21.5779819007698,2.5242015483809612,10.071637594792007,13.328254737465707,9.153476306365704,9.956418635655362,9.685341849365141,9.181947355274188,5.4056502727916635,10.20640140662526,6.987487549018183,3.143697969720715,0.6033752712128047,1.2959421442572339,8.595130400557424E-15,2.022725545419485E-50,9.722656404798518E-108,9.069027178494343E-187,1.63264458395044E-287,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.42261548708476726,6.452069532412176,0.41082571694936143,12.31509476249922,1.006177818437886,2.25612603813091,2.2151649587756075,1.0685752612212693,4.653286324797197,0.9523379736880789,1.5939000710098004,0.7560137930565648,2.5636274074627194,0.29725624303428794,0.2511749968453621,0.004255849727953725,0.00912742648508275,6.05362061944146E-17,1.424622140512057E-52,6.847746403476997E-110,6.387389994972955E-189,1.1498849298413013E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3639307764736217,6.460007849604341,1.406235762005297,13.708061410148526,1.1511597534299838,3.710110859030862,3.776959628832942,2.512253320052066,5.393707920569898,2.4353817308811387,2.6294054847937236,1.4278280189699903,3.9338795638633917,1.1501039187544253,0.8191614507422899,0.04430033300922093,0.09511482125737236,6.308339422061072E-16,1.484566109357944E-51,7.13587971644588E-109,6.656152845119006E-188,1.1982687534887327E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.7518500081242445,6.557818694710752,5.905523645127025,20.834814356761054,2.3729404696861,9.543180515882117,12.397939224455325,8.585428223387282,9.510754907065287,9.044743268067863,8.535796829076347,5.022911899344432,9.671370968356442,6.396514930405753,2.9586815575889798,0.5376007923518041,1.1546611189837717,7.658106444101522E-15,1.802212044743513E-50,8.662711814418042E-108,8.080339941422553E-187,1.4546569309137476E-287,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0101143564697237,6.470299885885309,2.1536658960790462,14.81209234049821,1.2996413160001565,4.750188978682001,5.058893964157159,3.5646435780480576,6.00354905669115,3.542386931906428,3.492679689952327,1.9713363207346482,4.93087054459879,1.8878094848138038,1.2157289935985494,0.09621091644603326,0.20660210164382037,1.3702556186839918E-15,3.2246759670882257E-51,1.5500084287662535E-108,1.445805341885654E-187,2.602799853190118E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.079455228069167,6.625700850884168,8.059898156152075,24.52954539970835,3.1504811587213815,12.085044205635683,17.056627995065142,11.339697960906234,11.743908331429393,12.17751142396467,11.780562916054635,6.9341331155060395,12.263616734484392,9.381560881421185,3.8377437292427805,0.8799458117320558,1.8900098227181137,1.253518990533896E-14,2.949955109066082E-50,1.4179580615857268E-107,1.322632381839539E-186,2.3810586871857834E-287,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.863949354617079,5.086507774991533,2.879516718461731,16.01571454766399,1.6294731621449159,5.954612019499812,6.854619923164257,4.628500456980744,6.594365176556099,4.60200140657558,4.613743465160325,2.6300056153073297,6.388229779252225,2.699825912779224,1.7415977187321623,0.17164978780215925,0.36862354325539093,2.4448370917141114E-15,5.753530440304314E-51,2.7655555995871344E-108,2.579634397438391E-187,4.6439668165701396E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.665969234887273,2.11865235032147,0.6667387202002875,0.7334900922820355,0.20271546367270257,0.5562446277648503,0.5059750127331427,0.25011378228758785,10.45136030540903,22.765309810352186,44.045522866261855,0.6002351384230534,1.312333422785581,6.338710481446849,1.2396426606447024,0.2948132319258369,0.8051030780151591,0.15745160228490868,0.3800721935052679,0.17268939398514876,0.04890023837920302,7.873166374017389,10.091934708772566,20.28166560683551,0.7076546170227388,0.6016618258696196,6.7819526974643,1.5332791390599454,0.4190338296256231,0.7764765759012956,0.1755475729347521,0.4351737306872727,0.26449496831559305,0.09879132973970475,8.73426566614987,13.882990033796995,26.974632024105993,0.6647148638519436,0.7984600287425705,7.62312560757224,2.090289886771991,0.6547350320833785,0.7352444959341095,0.20160682287974163,0.5500335592953147,0.4924779467847724,0.24118883056420226,10.368150526427609,22.294255768429494,43.09530940019589,0.6028667439011642,1.2837003366442894,7.010946094904499,1.684945134949398,0.48320414032911163,0.7637948852431106,0.1835633106528889,0.4651067025242334,0.31958228362004365,0.1313661825022428,9.17909537018301,16.01495016011883,30.90216479742172,0.6456923278646659,0.9160551686465199,7.804515368278627,2.210364931480604,0.7055549751682887,0.7280035901649892,0.20618238670309477,0.576569299572338,0.5508723021666221,0.280084275630675,10.72043527492752,24.316875698454517,47.20871784349973,0.5920053852474838,1.407525877369635,7.632775171897118,2.092606850982667,0.6551278385570878,0.7352986774043282,0.20158998728536517,0.5514161629576008,0.49352983839662995,0.2414782462974896,10.380509861436872,22.343766120513504,43.18823830916804,0.6029480161064923,1.2864242476517203 +UMLCN0079,L,n-heptylbenzene,CCCCCCCC1=CC=CC=C1,Aromatics,,C13H20,NREL (2014),Unknown,PubChem,,35,0,-0.11849999999999916,0.014042249999999801,55.0578,36.21585999999998,6,6,33,13,20,0,13,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1895.7548529999976,2117.575333,2476.804526,2233.8278039999977,1764.7141769999962,1545.7753999999966,1349.018670999997,1152.2619419999976,955.5052129999999,6127.394611359888,7800.452050151659,10454.245130078187,10489.443192370112,8874.68263801055,7700.578549176231,6693.780204221108,5686.981859265986,4680.183514310866,232.39598800000013,240.37934799999994,429.3857840000002,569.6277600000003,525.6533159999999,461.97007999999977,399.08517999999987,336.20028,273.3153800000002,45.147958096980034,58.526586200000004,84.24725561364093,90.23341523546982,78.52608230546988,68.16669063577203,59.145161776376085,50.12363291698008,41.102104057584064,5346.679669654981,4710.777583428001,9104.914118855546,13040.841194610573,12201.090483201873,10785.725536785974,9306.770381747378,7827.815226708783,6348.860071670186,60.27777777777778,73.41666666666667,113.33333333333336,131.75,116.5,102.08333333333333,89.83333333333333,77.66666666666666,65.5,57.447116757575685,64.16894948484848,41.28007543333333,27.578121037037008,23.529522359999948,23.420839393939342,23.666994228070124,24.00545712499995,24.500133666666663,185.67862458666326,236.37733485308058,174.23741883463646,129.49929867123595,118.32910184014067,116.67543256327622,117.43474042493172,118.47878873470803,120.0047054951504,7.042302666666671,7.284222666666665,7.156429733333337,7.032441481481485,7.008710879999999,6.999546666666663,7.00149438596491,7.0041725,7.008086666666671,1.3681199423327284,1.7735329151515153,1.4041209268940156,1.1139927806848127,1.0470144307395985,1.032828645996546,1.037634417129405,1.044242352437085,1.053900104040617,162.02059605015094,142.75083586145456,151.74856864759244,160.9980394396367,162.68120644269163,163.4200838906966,163.2766733639891,163.0794838897663,162.7912838889791,1.8265993265993266,2.224747474747475,1.8888888888888893,1.626543209876543,1.5533333333333332,1.5467171717171717,1.5760233918128654,1.6180555555555554,1.6794871794871795,0.06920924707361387,-0.0010620876105120807,-0.027986272513426915,-0.01184768652836364,-0.004291863115184841,0.006681280909900059,8.255705310351931E-4,0.0019914199082968244,0.002529237822689715,953.8534042424232,-1.1581846592889633E-12,-277.81814186501407,-30.01636586776829,-76.70849055096403,14.674667757576447,10.67248564187388,6.6703035261712,2.6681214104685793,1773.731136187817,9.947598300641403E-14,-516.6146980574997,-55.81671407584008,-142.64271374936902,27.288171325966687,19.845942782521206,12.403714239075725,4.961485695630245,0.18685333333333334,2.6940255581919814E-15,-0.054422666666664274,-0.005880000000000176,-0.01502666666666741,0.0028746666666658064,0.002090666666665966,0.0013066666666661396,5.226666666662992E-4,7.929403456386056,1.9040324872321435E-14,-2.3095080696396995,-0.249526682193971,-0.6376792989401465,0.12199082240593073,0.08872059811340405,0.055450373820876475,0.02218014952834957,43.07264542414362,-3.526068326209497E-13,-12.54528448892046,-1.3554328979625403,-3.46388407257089,0.6626560834484749,0.4819316970534473,0.30120731065841255,0.12048292426338669,5.112794612794615,0.581649831649834,0.08448117539026843,0.1650596877869615,-0.7647689011325414,-0.27356902356902507,-0.41704928068564523,-0.47719620446893135,0.10912151821242792,0.002097249911321632,-3.218447304582063E-5,-4.664378752237819E-4,-1.4626773491806962E-4,-5.7224841535797874E-5,1.0123152893787968E-4,1.4483693526933212E-5,4.1487914756183844E-5,6.485225186383885E-5,28.904648613406764,-3.509650482693828E-14,-4.6303023644169015,-0.37057241812059616,-1.0227798740128538,0.22234345087237042,0.18723659020831368,0.13896465679523332,0.06841336949919434,53.74942836932779,3.0144237274670918E-15,-8.610244967624995,-0.6890952355041985,-1.9019028499915869,0.41345714130252553,0.3481744347810738,0.2584107133140776,0.12721758193923705,0.005662222222222222,8.163713812702974E-17,-9.070444444444045E-4,-7.259259259259476E-5,-2.0035555555556546E-4,4.355555555554252E-5,3.6678362573087124E-5,2.7222222222211242E-5,1.3401709401699978E-5,0.24028495322381987,5.7697954158549805E-16,-0.03849180116066166,-0.003080576323382358,-0.008502390652535287,0.0018483457940292535,0.0015565017212877904,0.00115521612126826,5.68721782778194E-4,1.3052316795195038,-1.0685055533968174E-14,-0.209088074815341,-0.016733739481019017,-0.04618512096761187,0.010040243688613256,0.008454942053569251,0.006275152305383595,0.0030893057503432486,0.1549331700846853,0.017625752474237394,0.0014080195898378072,0.002037773923295821,-0.010196918681767218,-0.004144985205591289,-0.007316654047116583,-0.009941587593102737,0.002797987646472511,-0.015346036193435247,-0.22240452733162588,-0.06974263492799268,-0.02728565691045197,0.04826870102194269,0.006906040834115934,0.019782055792311008,0.030922519778756673,-1.2142166229503848E-15,-0.16019230769230805,-0.012820512820512704,-0.035384615384615355,0.007692307692308062,0.006477732793522639,0.004807692307692601,0.0023668639053256767,5.608289834738556E-17,-0.16019230769230744,-0.012820512820512747,-0.03538461538461517,0.007692307692307768,0.006477732793522325,0.004807692307692339,0.0023668639053254377,1.441786191411436E-14,-0.16019230769230064,-0.012820512820513203,-0.03538461538461714,0.00769230769230539,0.006477732793520097,0.0048076923076903685,0.00236686390532378,2.401230430138732E-15,-0.1601923076923066,-0.012820512820513037,-0.03538461538461589,0.007692307692307151,0.006477732793521803,0.004807692307691871,0.00236686390532512,-8.186328681435065E-15,-0.1601923076923116,-0.012820512820512619,-0.035384615384614355,0.007692307692308986,0.006477732793523505,0.004807692307693354,0.0023668639053263845,0.11376358248271362,0.009087915706289328,0.013152599421944243,-0.06581494896279254,-0.026753375041159176,-0.04722458104431321,-0.06416694106025676,0.01805931967275408,1.1860144057274156,1.2141790912899142,0.9590561728728559,0.9175686344004219,0.8300052789455191,0.8876910422324111,0.9247967371572714,1.0125897790255187,1.230769230769233,1.2523076923076948,0.9777777777777796,0.9747692307692327,0.9230769230769249,0.9263157894736859,0.9307692307692325,0.9372781065088773,1.2307692307692288,1.2523076923076901,0.9777777777777761,0.9747692307692292,0.9230769230769215,0.9263157894736828,0.9307692307692292,0.9372781065088743,1.2307692307692288,1.2523076923076903,0.9777777777777762,0.9747692307692292,0.9230769230769216,0.9263157894736826,0.9307692307692292,0.9372781065088743,1.2307692307692317,1.2523076923076928,0.977777777777778,0.974769230769231,0.9230769230769239,0.926315789473685,0.9307692307692315,0.9372781065088764,1.2307692307692302,1.252307692307691,0.9777777777777766,0.9747692307692297,0.9230769230769224,0.9263157894736838,0.9307692307692305,0.9372781065088753,1.0905498847546917,0.9663483701020741,0.8660593421870996,0.9017319723411259,0.8732301613434306,0.9562067830095485,1.0594336516298974,1.069881715255439,90.88582346796004,45.44291173398001,73.37306168056539,90.88582346796002,6.991217189843079,45.44291173398001,-1.4210854715202004E-14,0.3056336420847051,0.023510280160361934,-1.5409785851109121,224.01746190811184,17.23211245447014,7.03524120489273,90.88582346796004,45.44291173398001,73.37306168056539,90.88582346796002,6.991217189843079,45.44291173398001,-1.4210854715202004E-14,0.3056336420847051,0.023510280160361934,-1.5409785851109121,224.01746190811184,17.23211245447014,7.03524120489273,90.88582346796004,45.44291173398001,73.37306168056539,90.88582346796002,6.991217189843079,45.44291173398001,-1.4210854715202004E-14,0.3056336420847051,0.023510280160361934,-1.5409785851109121,224.01746190811184,17.23211245447014,7.03524120489273,90.88582346796004,45.44291173398001,73.37306168056539,90.88582346796002,6.991217189843079,45.44291173398001,-1.4210854715202004E-14,0.3056336420847051,0.023510280160361934,-1.5409785851109121,224.01746190811184,17.23211245447014,7.03524120489273,90.88582346796004,45.44291173398001,73.37306168056539,90.88582346796002,6.991217189843079,45.44291173398001,-1.4210854715202004E-14,0.3056336420847051,0.023510280160361934,-1.5409785851109121,224.01746190811184,17.23211245447014,7.03524120489273,90.88582346796004,45.44291173398001,73.37306168056539,90.88582346796002,6.991217189843079,45.44291173398001,-1.4210854715202004E-14,0.3056336420847051,0.023510280160361934,-1.5409785851109121,224.01746190811184,17.23211245447014,7.03524120489273,111.02785193666891,55.034138911091404,90.99647836250799,110.8925462167478,8.530195862826755,55.034138911091404,-0.25128205128204684,0.396414590288018,0.03049343002215523,-1.2028830712870056,78.67474963072222,6.051903817747863,5.674918938808869,0,11.850000000000005,12.150156966867167,-0.21004416823741578,0.09013590268831619,5.137012828680185,8.73873606948282,13.0,33.0,30.0,27.0,7.0,3.0,0.0,0.0,0.0,6.0,21.864139999999995,3.785249766475653,3.452977354255485,3.164448889746894,2.8115251644610773,2.6191819138397157,2.4536030455087308,2.045484668103874,1.6345079468702497,1.995151928774618,1.8721322944205363,1.663712856858644,1.3875895731962735,1.1049760685643417,1.0822503020169476,0.8875319192745715,0.7310381386482804,3.7976233084371565,3.482040160400885,3.1979544509263507,2.847427351923186,2.6458150318986844,2.496862918185234,2.1100139211949167,1.7226057135654633,1.9595283689008787,1.8130690329341765,1.5917878770926421,1.301665007912341,1.0080017375493373,1.0071675921888017,0.7797079584815121,0.5990801201328372,3.854274180317794,3.60882965465007,3.3467290965304515,3.013442878420075,2.77182021547979,2.687336441289776,2.3825574333591346,2.087978041466364,1.8661085057874915,1.6339061095773781,1.3765307789588117,1.0477760680026356,0.7986202314843491,0.7255755574132121,0.43413917225309284,0.15589455720214773,3.806846427673821,3.503402621735967,3.222747229391782,2.87437200334073,2.665925019264036,2.528727381856675,2.1570879266008136,1.7865026441919722,1.9380198788541145,1.7748759636284113,1.5455785409195515,1.2466091351978705,0.9602789912487918,0.9463158190840343,0.7089122937240038,0.5103879966170353,3.8835105927358935,3.6698408876014823,3.4193952792624907,3.097626889611087,2.838078587645886,2.780856664947359,2.5065679899735165,2.2505959417079495,1.8395285895390492,1.5768793862705834,1.3089109301980215,0.9703281818263857,0.7385642758080638,0.6389542471649597,0.3156254181768496,7.290175763246977E-4,3.9019261743260456,3.4518396855512896,3.2169167824949136,2.906946111087017,2.8174518891363793,2.5794457472076457,2.202697780307219,1.8397515386580992,1.8988368448440986,1.765604593599824,1.5187777459726548,1.1964809723102667,0.87237671048526,0.803753359929194,0.6138327222475017,0.4104583867916232,0,0,0,5,1,1,6,0,0,0.0,0.0,0.0,0.10206207261596577,0.07216878364870323,0.0,0.0,0.0,0.032075014954979206,0.022680460581325723,0.20412414523193154,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.4330127018922194,0.6123724356957946,0.6495190528383291,0.21941609682128765,0.2730017401615745,0.25598544629150227,9.355524862241651,6.431851652578136,4.706924541721795,3.440670697680658,2.512380893458789,1.8327077845361235,0.9188566201357357,0.5824791467285321,0.7196557586339731,0.4947578194290874,0.3362088958372711,0.22937804651204388,0.1570238058411743,0.1078063402668308,0.0765713850113113,0.05295264970259383,8.629392033067417,5.471343774302779,3.6498121220265833,2.411829882562212,1.5773547736675624,1.0195962951667712,0.5418532644114833,0.3130655962009496,0.6637993871590321,0.4208725980232907,0.2607008658590417,0.1607886588374808,0.09858467335422265,0.05997625265686889,0.04515443870095694,0.02846050874554087,18.418278037858734,31.878368536052434,30.254901960784323,30.599999999999987,20.985544910179655,250.51063473053895,0.5581296375108707,0.9660111677591647,0.9168152109328583,0.9272727272727269,0.6359256033387775,7.591231355470877,4.199500000000003,58.90500000000005,69.14448784099739,104.76712791403627,138.28897568199477,10.637613513999598,69.14448784099739,0.1751570559977657,0.013473619692135824,-2.2646939181012087,86.2068874634005,6.631299035646193,5.793775098078836,201,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,7.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,6.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.265914824263039,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9771825536726784,0.0,1.8046729593658708,0.0,0.0,1.9771825536726784,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2611068594104307,0.0,8.139644982993197,0.0,0.0,10.780731056311414,0.0,0.0,0.0,0.0,1.4851837679516253,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4851837679516253,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3775580672083648,0.0,0.2171452052086522,0.0,0.0,0.3775580672083648,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2611068594104307,0.0,1.2545181405895691,0.0,0.0,2.083911643361048,0.0,0.0,0.0,0.0,1.4851837679516253,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2220443594104307,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4163947292836633,0.0,0.35930555555555554,0.0,0.0,0.4163947292836633,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2611068594104307,0.0,1.4060848922902494,0.0,0.0,2.2220443594104307,0.0,0.0,0.0,0.0,1.4851837679516253,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,22.666666666666664,1.7435897435897434,0.4163947292836633,2.2611068594104307,0.11814448696145124,1.2545181405895691,8.420582384495464,0.24548185941043082,0.2611068594104308,2.0836758314436885,0.24548185941043082,0.2611068594104308,2.0836758314436885,6.5,0.5,0.0,0.0,0.45758,0.7,0.43333,0.43333,0.7,0.02424,0.02424,-0.0,0.0,0.71429,0.0,0.0,0.07692,0.07692,0.0,12.5,0.96154,6.5,0.5,6.0,0.46154,-0.5,-0.03846,0.0,0.0,10.5605,0.81235,15.5724,5.0119,0.38553,4.44966,0.34228,6.43185,1.98218,0.15248,-0.01785,-0.00137,0.06815,0.00524,0.18181818181818182,13.0,0,0,0,0,0,0,0.5384615384615384,0.9672947789468945,2.2131128964057805,3.1324673336069133,3.9225895736416696,4.124256907946324,4.02465216619472,31.92072770524752,73.03272558139075,103.37142200902814,129.4454559301751,136.1004779622287,132.81352148442576,0.19175638462402997,0.4387271977644848,0.620979895600485,0.777613620352992,0.8175921251115184,0.7978464947355414,4.077099340411559,2.831281222952673,1.91192678575154,1.1218045457167838,0.9201372114121291,1.0197419531637335,0.18710035032946076,0.42807446835077173,0.6059018907881669,0.7587323940961118,0.7977401812977429,0.7784739943175031,6.794523438622368,16.33966745918011,21.166607938856327,24.46439051124493,23.749993309774556,24.56725174685071,50.0532173522073,37.31935893773613,27.56474579885578,20.6681155603246,21.401999267717525,20.36861168447117,11.076923076923077,7.408163265306122,5.333333333333333,7,6,7,2.8899999999999997,1.7027,0.0,2.2543911820260747,0.14285714285714285,0.0,17.398069069641274,4.825338663845481,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.13299999999999998,0.124,0.553,0.664,6.414,14.0,15.0,16.0,17.0,12.0,11.0,10.0,8.0,6.0,135.0,2.833213344056216,3.1570004211501135,3.518980417318539,3.9044947390073546,4.303220141738605,3.7509735839097313,3.727198318416073,3.702843994464309,3.6260062122954264,3.498399709618518,5.98425109258968,2.9342592592592593,0.5,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.46153846153846156,7.0,0.5384615384615384,1,5.0,10.0,1.0,1.0,0.44444444444444464,0.1875,0.1511111111111111,0.09027777777777776,0.06040816326530612,0.043402777777777776,0.032753842277651796,0.025625000000000002,0.012345679012345678,0.07692307692307693,0.03174603174603176,0.015625,0.016790123456790124,0.01128472222222222,0.008629737609329445,0.007233796296296296,0.006550768455530359,0.008541666666666668,0.012345679012345678,0.19567060238828948,50.10504863992767,79.28487163260235,100.21009727985538,7.708469021527336,50.10504863992767,0.18016176033122586,0.013858596948555835,-2.2280702120896683,79.73543388260333,6.13349491404641,5.692328301065682,0.0,202.2384240338669,4.700439718141093,4.007333185232471,4.727387818712341,5.4680601411351315,6.208590026096629,6.961296045910167,7.711101251840158,8.470311205516108,9.225327501784431,9.98860964595295,88.76801682218039,3.295836866004329,0.0,4.418840607796598,0.0,5.733341276897746,0.0,7.138073034044347,0.0,8.589885876809678,8.862766742283796,176.15650064,5.3380757769696965,25.70801059777935,1.9775392767522577,0.0,0.0,0.0,314.0,12.0,5.783000000000001,54.0,1.2401001133624552,2.1642440886210603,2.9227100443124936,3.7070735744777887,4.846892534129395,5.828091927244606,7.012565930223286,8.091942003129974,9.206098796742577,10.220047613796106,89.99631242441677,97.72806707027611,91.27936032189605,105.34909749680527,131.07078439021416,159.35402733888398,188.57354063097068,219.4711554206092,216.34886603921493,131.4925695773684,317.47843861542304,399.6605820560332,407.692774341161,495.615527411334,615.8675032557471,749.9154438205572,890.9617046241107,1034.5249067203124,1138.9238524991267,911.839187976006,9.066509146411406,15.533809284760032,20.6147740156776,26.13186094519957,34.041067026261906,40.971187811560455,49.26287937152261,56.864348224373785,64.83820314320208,71.01066910185558,2.3314577419747335,3.172372460949062,3.4301914263736375,4.24485205706649,5.3140178446985935,6.460318019270291,7.696866561855695,8.924077815447582,10.09485673390756,8.92679972439465,174.94938790724308,325.2279658790597,466.241521213463,591.9713730300585,783.7952095127308,939.4092800409121,1132.9923541214323,1305.9586484681631,1471.9915567600626,1706.2827767352994,2.8398416067044927,4.194290324006997,4.885599148269641,6.037966741672265,7.718723656640341,9.518128899063749,11.67559109896303,13.996546472404358,16.84240915163742,16.31404650136588,0.48060176831183565,0.663762937303655,0.7263472627622064,0.9013311026016015,1.1305025228742243,1.373746690128395,1.63762428585368,1.8981842424056032,2.154481787256311,1.9378206403749687,392.8212111131323,277.44834410078505,14.570722034019838,84.37673186549726,-59.595011354863026,-4.992757489750213,308.444479247635,337.04335545564805,19.56347952377005,0.8231829514209034,0.5814114419039104,0.03053391626768257,0.17681704857909647,-0.12488530646816277,-0.010462655095673377,187.45347390156073,132.39777908772163,6.953118582347661,40.26440288147469,-28.43861683032871,-2.382533603899948,0.08782255548912585,0.09242047237168015,2.1390391076154662,0.8196327809783731,477.1979429786296,0.0,1.0,0.0,913.1289312832799,30.218023285504298,9.701614962210904,1107.9312143870604,33.28560070641749,10.347551567169903,1559.254144626385,39.48739222367546,11.595931353097619,2.9079561385647144,2.9079561385647144,2470.640602526213,2422.8577566830886,160.49954502342416,1.019721688452953,15.393443029172666,15.095729750071776,5.932973987198927,6.901696073057126,12.711982483022002,0.8418635576618767,5.986422363330459,7.563943357096212,4.96271737389019,31.722459244202454,11.600439437156423,4.386250254521509,6.67825575862365,11.452014830902424,17.386970816171264,3.092841402550055,4.5196118822336215,12.582257341904286,6.315385638746366,8.578768405117671,4.493432877803685,3.9475007038925733,5.749692408486436,6.933116421232054,3.584292302419533,0.8217520883725186,2.205527086152141,2.7938908060550873,1.0096828324403224,0.026957072302443597,4.6303933464587226E-4,1.776005025405568E-27,1.33709919454161E-72,1.973486390323323E-139,5.70089199801931E-228,0.0,0.5025085541978896,7.563629380296986,0.3876487492722735,8.181058551150661,1.016656609862822,1.1674281194554332,0.8098661812668725,1.626874073753449,4.693813898392889,0.4733248573097841,1.2957492795235666,1.4627918605270842,1.2087172194513773,2.0383723637493887,1.211350224870933,0.41850521973935745,1.3267393379540742,1.2318813460570188,0.05572717407742994,0.2242518263733288,0.28693489581207143,0.1468232208159166,0.013747466365654853,1.904445516185268E-4,3.261223894454142E-6,1.2508548609488865E-29,9.417298955453565E-75,1.3899426009724738E-141,4.0151848477110214E-230,0.0,1.6218922755355965,7.563651028097502,1.2697382409353375,9.932332713807572,1.8184528211040685,1.575898175773578,1.9468761428092696,2.9497248929818674,6.530240520533562,0.8226235342633149,1.790078353286021,3.1852882621699132,1.7940205338846293,3.1463708521264557,1.6607286376336865,1.0391920809630555,2.0107038473323073,2.122723398431375,0.3381184234935901,0.29236196649041296,0.6086186217413145,0.5317141926055468,0.09115465678697202,0.0019799961957267334,3.3984467397051325E-5,1.3034872065254444E-28,9.813551589148564E-74,1.4484273553511454E-140,4.18413218369385E-229,0.0,5.650701089496922,7.563909121244259,4.664317060886214,29.200857763710438,10.471887412669078,4.101263917532419,6.297469215143334,10.609020766707516,16.342981613677544,2.8668879227439925,4.264327068617506,11.707942064029508,5.841060504313963,8.098052307862762,4.214477670530734,3.696203012743971,5.401498916227025,6.4875473589645924,3.213374252794746,0.7661223546951381,2.0633291398592783,2.5768525481136093,0.9041786344614663,0.024018668001951765,4.125597108211488E-4,1.5823885032544717E-27,1.1913313098144483E-72,1.7583408440320523E-139,5.079392133984042E-228,0.0,2.3903141077948487,7.5636784904110215,1.8906394443764523,12.041331539281911,2.772251161175268,1.9301027220441969,2.7454664885946185,4.060519326332861,8.014921634117886,1.11745537067808,2.17803459566386,4.530210045178068,2.3315284084193904,3.9743887016673463,2.0347030339560863,1.4948641868007553,2.545206474168551,2.8152886657015763,0.6619820843556826,0.3551073352427716,0.8502115958972657,0.8420807436691955,0.18166996547986125,0.004299379997429922,7.381880441616747E-5,2.8313483931729056E-28,2.1316345403435167E-73,3.1461777642856325E-140,9.088494214456543E-229,0.0,7.229447130564176,7.5640871647895125,6.088358010057982,42.2855432698192,16.324668013116746,5.541266968953157,8.112580292790197,14.847454326181897,21.55546421144678,4.003916312753943,5.53058301284685,16.03925969900938,8.25519467874964,10.449838500380801,5.61487390649993,4.917972480825643,7.126804727563487,8.692476040900404,5.133514272503224,1.0493551550133002,2.760116017268855,3.6599190275952256,1.4508821165119072,0.03931245265920818,6.752993524160352E-4,2.5901364178083135E-27,1.9500335125535554E-72,2.8781444289315717E-139,8.314215200314445E-228,0.0,3.3879268184742015,6.3431922924660125,2.797186302309825,15.001394175540431,4.521574285328173,2.6043709435207276,3.765233657377221,5.776379032939308,9.414400768931882,1.5235343952599618,2.721182954967229,6.4046553117197105,3.1630892465862117,5.13716189953149,2.663243618716517,2.241236855986098,3.593061526498239,4.093530518998613,1.2993531405710885,0.5435622402420561,1.3834141768122135,1.4630053850791596,0.3605143745751987,0.008869648505237228,1.5231030017222574E-4,5.841919644554217E-28,4.398200421491759E-73,6.491506919727021E-140,1.875228531355401E-228,0.0,14.480079778147408,1.1237043818899017,0.7055906436986957,0.8878378204191151,0.06889929230349735,0.5602637110684116,0.3756056575366742,0.37816219090839465,16.309374803736006,27.281213206435833,55.0714855814301,0.8317567306286727,1.3140315595134804,13.928047193246934,0.5911426243813533,0.3198781703432162,0.9386066028228296,0.03983691057016057,0.518352724135491,0.10504678357929849,0.07765337457762536,14.839067987971504,12.877834244052128,30.35060711063238,0.9079099042342443,0.7010528822924149,14.12991530389257,0.7858221966822776,0.4610567551953137,0.9189116449672403,0.05110442291229831,0.5334881515150864,0.18466609615203866,0.16139654652594757,15.376794255770161,17.980602616399487,38.47678715849896,0.8783674674508605,0.8795507941930727,14.464516024174745,1.1086844010267407,0.6947285657649638,0.8891430514730464,0.06815153924278813,0.5590595640205134,0.36569787661320924,0.36660392023201804,16.26792899096645,26.855730480174426,54.26473197608517,0.8337145772095695,1.2913613608657406,14.226852767046692,0.8793447376289533,0.5287884324024691,0.9099370363556223,0.056242118871600744,0.5408343109004137,0.23082060108671462,0.21233211811095626,15.634985937078115,20.498290611783947,42.74858276519029,0.8649055545334335,0.9839870300980846,14.529525417184585,1.1714229480096194,0.7400958790974296,0.8837349502437638,0.07124991153869926,0.5640979339647201,0.4079582105749265,0.416068929242854,16.441044244291632,28.640426680380816,57.678065236016415,0.8256024253656457,1.3881250737825006,14.520506778009384,1.1120321786611087,0.6949455482080251,0.8893290802799891,0.06810799167066077,0.5633710471187805,0.3677489639013496,0.36665477728608437,16.327484504878516,27.011034142739852,54.55999259717964,0.8339936204199837,1.2977747883062145 +UMLCN0080,L,n-octyltetralin,CCCCCCCCC1CCCC2=CC=CC=C12,Aromatics,Cyclic,C18H28,NREL (2014),Unknown,UML,,18,0,-0.6850000000000005,0.46922500000000067,71.3673,50.35020399999997,6,6,46,18,28,0,18,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2625.2039699999973,3080.0167630000014,3985.0663670000044,4102.330031000007,3583.776859000005,2962.3562790000037,2386.3109879999993,2111.8314109999956,1911.010425999996,8493.649075553985,11259.44639161179,16340.754701844704,18138.590838228047,16956.038824221512,14927.359729465874,12342.137116633508,10491.500351300607,9360.367028621748,323.84628,342.5635000000002,645.1240280000011,909.938300000002,901.9274680000017,870.1687320000023,775.572528000002,636.3895160000008,546.6307600000001,62.64936133577204,84.16834067999999,130.0560605030369,152.0784836282053,145.60137936850714,131.7700537479027,110.93004783760067,93.00418859395978,82.20420811516787,7459.992666298974,6696.524101671203,13588.817242881834,20578.039941648054,20466.63995180405,20086.642944689454,18238.62460791318,14916.345906475965,12697.720143340372,77.83333333333334,96.49999999999999,160.13888888888889,203.8333333333333,200.8333333333333,188.91666666666663,162.33333333333334,134.08333333333337,117.75000000000001,57.06965152173907,65.53227155319152,44.27851518888894,31.801007992248113,27.99825671093754,23.889969991935512,21.498297189189184,23.206938582417532,24.500133666666613,184.6445451207388,239.56268918322957,181.56394113160783,140.60923130409338,132.46905331423056,120.38193330214415,111.19042447417576,115.29121265165502,120.0047054951506,7.04013652173913,7.288585106382983,7.1680447555555675,7.053785271317845,7.046308343750013,7.0174897741935665,6.98713989189191,6.993291384615393,7.008086666666668,1.3619426377341748,1.7908157591489358,1.445067338922632,1.1789029738620567,1.137510776316462,1.0626617237734088,0.9993698003387448,1.0220240504830744,1.0539001040406137,162.17375361519507,142.4792362057703,150.9868582542426,159.51968947013995,159.89562462346913,161.98905600556012,164.31193340462326,163.91588908215346,162.7912838889791,1.6920289855072466,2.053191489361702,1.779320987654321,1.5801033591731262,1.5690104166666663,1.5235215053763438,1.4624624624624625,1.4734432234432238,1.5096153846153848,0.0798576052701825,-0.0013514674582436196,-0.028435087404759977,-0.0016340558582310827,-0.013909403804227926,-0.008480199736474776,0.004244556062244378,0.006632398389968282,1.600177179851667E-4,1326.4623594782613,44.85621505481883,-284.4707924139911,106.87679811531103,-253.80378824385718,-243.73402568052978,4.806023041588077,81.4735334669191,3.66173184121007,2466.613399421049,83.41204732341588,-528.9855858316733,198.74196989814033,-471.95898204933735,-453.2338285685702,8.937005070365103,151.5035145262068,6.8091467202793865,0.2598448695652171,0.00878702457467213,-0.05572587523629173,0.020936431001891073,-0.04971841965973478,-0.047745822306238556,9.414669187133287E-4,0.015960105860112535,7.1730812854398E-4,11.026909555736879,0.3728906613051312,-2.364811693889032,0.8884690756606466,-2.109876241772292,-2.0261660933160455,0.0399525708541037,0.6772912011460079,0.03044005398408406,59.89834771691938,2.025547990426471,-12.845694653577542,4.826178120048372,-11.460881231550129,-11.006166376556042,0.2170229989746335,3.679056554041508,0.16535085636152647,5.54106280193237,0.7068367989918077,0.08391094307918451,0.8099663936147881,-1.2543583280823327,-1.4887103549674396,-0.4469124133585357,0.045578659945391495,-0.3631064902331429,0.0017360348971778804,-2.875462677114084E-5,-3.159454156084442E-4,-1.2667099676209944E-5,-1.0866721722053067E-4,-6.838870755221594E-5,3.8239243804003405E-5,7.288349879086025E-5,2.0515092049380345E-6,28.83613824952742,0.9543875543578475,-3.160786582377679,0.8285023109714034,-1.9828420956551343,-1.965596981294595,0.04329750487917186,0.8953135545815285,0.04694528001551372,53.622030422196715,1.774724411136508,-5.877617620351926,1.5406354255669792,-3.687179547260448,-3.6551115207142755,0.0805135591924784,1.6648737860022724,0.0872967528240947,0.005648801512287327,1.8695796967387512E-4,-6.191763915143525E-4,1.6229791474334164E-4,-3.8842515359167797E-4,-3.8504695408256897E-4,8.48168395237233E-6,1.7538577868255533E-4,9.196258058256153E-6,0.23971542512471475,0.007933843857555984,-0.026275685487655912,0.006887357175663927,-0.01648340813884603,-0.016340049139645527,3.59933070757691E-4,0.007442760452153934,3.9025710236005205E-4,1.3021379938460735,0.0430967657537547,-0.14272994059530603,0.03741223348874707,-0.08953813462148538,-0.08875940626254872,0.0019551621529246264,0.040429192901555035,0.002119882773865724,0.12045788699852979,0.01503908082961293,9.32343811990939E-4,0.006278809252827814,-0.009799674438143224,-0.012005728669092256,-0.004026237958185006,5.008643950043021E-4,-0.004655211413245422,-0.01656339214026441,-0.18199254872240697,-0.007296569727257059,-0.06259506499390158,-0.039393624899700726,0.02202677138931112,0.041982738313233535,0.0011817211786888575,0.03309692671394681,-0.10961199294532718,0.028731389196505232,-0.06876240079365101,-0.06816436251920134,0.0015015015015015557,0.031048316762602612,0.0016280016280017344,0.0330969267139475,-0.10961199294532681,0.028731389196505263,-0.0687624007936512,-0.06816436251920163,0.0015015015015013308,0.03104831676260252,0.0016280016280017329,0.03309692671395912,-0.10961199294532019,0.02873138919650649,-0.06876240079365009,-0.06816436251920184,0.0015015015014995465,0.03104831676260079,0.0016280016280006235,0.03309692671394971,-0.1096119929453254,0.028731389196505395,-0.06876240079365083,-0.06816436251920137,0.0015015015015009219,0.03104831676260195,0.0016280016280012695,0.03309692671393566,-0.10961199294533311,0.028731389196504458,-0.06876240079365178,-0.06816436251920088,0.0015015015015034936,0.031048316762604344,0.0016280016280028125,0.12484928305106735,0.007739998062578654,0.05212451761589051,-0.08135353095030491,-0.09966743538543714,-0.03342444449680698,0.0041580041580043265,-0.03864596606532073,1.2319526939159378,1.2018877232517384,0.9115180591142126,1.0044341034009998,1.022905147944726,0.9396251676448042,0.8877310826615848,0.9260878244130826,1.2234042553191495,1.2321428571428579,0.971068660022149,1.0588727678571435,1.0267857142857149,0.9250321750321755,0.9026687598116174,0.9478021978021982,1.2234042553191478,1.2321428571428559,0.9710686600221473,1.0588727678571417,1.026785714285713,0.925032175032174,0.9026687598116162,0.9478021978021968,1.2234042553191486,1.2321428571428579,0.9710686600221493,1.0588727678571441,1.0267857142857153,0.9250321750321752,0.9026687598116166,0.9478021978021974,1.2234042553191482,1.2321428571428548,0.9710686600221461,1.0588727678571406,1.0267857142857117,0.9250321750321733,0.9026687598116157,0.9478021978021968,1.2234042553191495,1.232142857142857,0.9710686600221482,1.0588727678571426,1.0267857142857142,0.925032175032175,0.902668759811617,0.947802197802198,1.103943682872989,0.9737903225806446,0.8376502909511152,1.027485083369659,1.0460756672385176,0.9084509531327309,0.8626900562384426,0.9630893300248131,157.68867606506114,78.64106451259933,123.72906275557035,157.68867606506112,8.76048200361451,78.64106451259933,-1.4210854715202004E-14,0.45082848136842907,0.025046026742690505,-1.4340029745631115,124.64895150944393,6.924941750524663,8.685902517223694,157.68867606506114,78.64106451259933,123.72906275557035,157.68867606506112,8.76048200361451,78.64106451259933,-1.4210854715202004E-14,0.45082848136842907,0.025046026742690505,-1.4340029745631115,124.64895150944393,6.924941750524663,8.685902517223694,157.68867606506114,78.64106451259933,123.72906275557035,157.68867606506112,8.76048200361451,78.64106451259933,-1.4210854715202004E-14,0.45082848136842907,0.025046026742690505,-1.4340029745631115,124.64895150944393,6.924941750524663,8.685902517223694,157.68867606506114,78.64106451259933,123.72906275557035,157.68867606506112,8.76048200361451,78.64106451259933,-1.4210854715202004E-14,0.45082848136842907,0.025046026742690505,-1.4340029745631115,124.64895150944393,6.924941750524663,8.685902517223694,157.68867606506114,78.64106451259933,123.72906275557035,157.68867606506112,8.76048200361451,78.64106451259933,-1.4210854715202004E-14,0.45082848136842907,0.025046026742690505,-1.4340029745631115,124.64895150944393,6.924941750524663,8.685902517223694,157.68867606506114,78.64106451259933,123.72906275557035,157.68867606506112,8.76048200361451,78.64106451259933,-1.4210854715202004E-14,0.45082848136842907,0.025046026742690505,-1.4340029745631115,124.64895150944393,6.924941750524663,8.685902517223694,187.29621331293578,92.41345939141385,147.87443267497827,187.1531406106038,10.3973967005891,92.41345939141385,-0.3219135802469282,0.480965075173866,0.026720281954103666,-1.317529116537593,122.9909547365334,6.8328308186963,8.661799465093695,0,11.85,12.150236622295475,-0.19981373280073422,0.1009026569237994,5.137527593186127,10.32887904505499,19.0,47.0,44.0,41.0,13.0,3.0,0.0,0.0,0.0,6.0,30.609795999999992,3.882264878967788,3.4979751533923906,3.343920015168596,3.1910823769123,2.966447785928419,2.7196563965208638,2.541202214575788,2.436297179124861,2.073184376911771,1.9076637711227906,1.755442964894816,1.6535727835259917,1.505380511959952,1.2981295945881195,1.130239240908912,0.9943842849709631,3.893288965974959,3.5256972808326297,3.3705487059044503,3.2234824505405677,3.0006382331737123,2.7570116271328757,2.568757567626166,2.4782324894335166,2.0406943668374136,1.8481393970081819,1.6927883286949124,1.589691924650004,1.4254286580716404,1.2119899832948777,1.032726183798335,0.9104641896405775,3.944331159928763,3.6476252462830097,3.4893494820981563,3.365001790194852,3.157170183779614,2.925113058932556,2.7159718920568197,2.6508938527696553,1.9550977875255628,1.6719378139611973,1.513430275676162,1.3928974476719516,1.1892670584719067,0.9593352138169828,0.7513071322861679,0.6821864964742013,3.901536750664488,3.546127948278227,3.390253264842347,3.247329273921281,3.026217436023488,2.7847479069216106,2.5901571251930835,2.5088016799031605,2.0209689615215325,1.810122153609099,1.653323336139303,1.5481602826617387,1.3742670096140486,1.1570323970440284,0.9704325965322558,0.8591461305136329,3.970981266983194,3.7069037072413997,3.548326398996312,3.4327510907888295,3.235756548224972,3.0089035813167126,2.804589310149356,2.726392095290408,1.9309617903325664,1.6167462857812496,1.4589679002785516,1.3293844662469296,1.1167488629273055,0.881966940315664,0.6738207026872283,0.6097984921225963,3.984134042028513,3.531129766794808,3.417639746590457,3.271180962189189,3.0580854615620447,2.8714642251192437,2.6590840277887833,2.6065405922690905,1.9935386591176352,1.8004274446956543,1.6018690141506235,1.4651439825394954,1.3273619645300143,1.0893195757518703,0.871373379053324,0.7427987814376498,0,0,0,4,2,1,10,1,0,0.0,0.0,0.0,0.15137471507731048,0.25137565482875424,0.0,0.0,0.0,0.07880881408576065,0.13068931943367984,0.4694160968212876,0.0,0.13608276348795434,0.0,0.3297329732467056,0.0,0.07568735753865524,0.0,1.3806820952411107,2.4288690166235205,3.348435163205508,0.8815734813208826,1.434447033322832,1.828166594812367,12.631545744180547,8.91501490017253,6.9558167190128515,5.651668418299144,4.6169355034524395,3.6771238813574127,2.3000848849432236,1.6072906799613387,0.7017525413433637,0.4692113105353963,0.302426813870124,0.19488511787238427,0.12824820842923443,0.08551450886877704,0.05897653551136471,0.04018226699903347,11.957819157813608,7.993182156491986,5.844407759688484,4.39976062880625,3.3254598144415177,2.441145406043804,1.4922457793302863,0.9829351816445728,0.6643232865452005,0.4206937977101045,0.25410468520384716,0.15171588375193967,0.0923738837344866,0.056770823396367534,0.03826271229052016,0.02457337954111432,25.585589253002198,44.42971595047346,42.15686274509801,42.640000000000015,29.179762874251537,349.36634970059885,0.5562084620217869,0.9658633902276839,0.9164535379369133,0.9269565217391308,0.6343426711793813,7.5949206456651925,5.857100000000005,80.11400000000006,154.26255879390249,224.30012371232806,308.52511758780497,17.140284310433614,154.26255879390249,0.24278957110936034,0.013488309506075574,-2.5480083119699626,100.36936943719385,5.576076079844103,8.295942735760917,357,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,12.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,10.0,0.0,0.0,4.0,1.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.41724806081498,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.430071849416047,0.0,3.161461465203036,0.0,0.0,1.430071849416047,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.290634086649148,0.0,14.096631610199434,0.0,0.0,9.128321045436845,0.8621529090031073,0.0,0.0,0.0,3.288927015378134,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6247527638874142,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3317419515058855,0.0,0.21158374356800932,0.0,0.0,0.3317419515058855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.290634086649148,0.0,1.3087037037037037,0.0,0.0,2.2003586895808214,0.8621529090031073,0.0,0.0,0.0,1.6247527638874142,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3712727544721592,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38060988378727934,0.0,0.35930555555555554,0.0,0.0,0.38060988378727934,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.290634086649148,0.0,1.4466337553539934,0.0,0.0,2.3712727544721592,0.8621529090031073,0.0,0.0,0.0,1.6641742514907198,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,29.66666666666667,1.6481481481481484,0.38060988378727934,2.3712727544721592,0.041377511652809285,0.8621529090031073,11.537698743536124,0.47118042433022606,0.37127275447215924,2.8379102641719878,0.47118042433022606,0.37127275447215924,2.8379102641719878,9.0,0.5,0.0,0.0,0.45652,0.7,0.43846,0.43846,0.7,0.01806,0.01806,-0.0,0.0,0.71429,0.0,0.0,0.05556,0.16667,0.0,15.5,0.86111,9.5,0.52778,6.0,0.33333,-3.5,-0.19444,0.0,0.0,19.25044,1.06947,25.19263,5.94219,0.33012,6.96057,0.3867,8.915,1.95443,0.10858,-0.001,-6.0E-5,0.171,0.0095,0.21739130434782608,55.0,0,0,0,0,0,0,0.6666666666666666,0.9656361333706098,2.119900542355088,3.1882754777404494,4.116408565770043,4.482816239080333,4.487660120091724,44.41926213504805,97.51542494833404,146.66067197606068,189.354794025422,206.20954699769533,206.4323655242193,0.17482127313005244,0.3837922991033807,0.5772136717402543,0.7452452961546095,0.8115806928108371,0.8124576416076328,4.5579258226864034,3.403661413701925,2.3352864783165637,1.40715339028697,1.04074571697668,1.035901835965289,0.17109509897153374,0.3756120764019156,0.5649108287905737,0.7293609949218692,0.794282506205968,0.7951407635478482,6.795571755470207,16.68792771181806,22.763637339674723,25.814967750332464,26.662163226194053,26.369512523097576,69.41253379188073,49.72020407497778,34.6076459051376,26.138108851472452,23.503229079675016,24.519469234321704,14.409972299168976,8.226843100189036,4.565992865636147,8,6,8,3.44,2.298600000000003,0.0,2.346450729801081,0.3347164750410848,0.0,23.159366706619185,13.86345904928077,0.0,2.381101577952299,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.133,0.132,0.64,0.865,9.014,23.0,29.0,36.0,43.0,39.0,40.0,40.0,40.0,29.0,356.0,3.1354942159291497,3.5115454388310208,3.965563772356176,4.417333448506026,4.844679091388565,4.762173934797756,4.9274801087968,5.025318631006816,5.124521859473516,4.704166744559418,6.921596545170618,2.845330056179775,0.5,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,3.0,0.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.3684210526315789,8.0,0.42105263157894735,1,6.0,12.0,1.0,1.5,1.333333333333334,0.6875,0.4755555555555556,0.18055555555555555,0.12081632653061221,0.08680555555555555,0.0655076845553036,0.05125,0.04122028364452607,0.07894736842105263,0.05797101449275365,0.029891304347826088,0.025029239766081873,0.012037037037037037,0.01006802721088435,0.007891414141414142,0.00655076845553036,0.005694444444444444,0.00588861194921801,0.254969804187271,83.50104770809799,129.19374382946793,167.00209541619603,9.277894189788668,83.50104770809799,0.35775024361840835,0.019875013534356018,-1.8502563232294575,126.30986177641067,7.017214543133926,8.709728595237085,0.0,276.3618884624009,5.169925001442312,4.442651256490317,5.241747015059643,6.061456918928017,6.8885724595653635,7.726212650507529,8.566935283311052,9.41450495669259,10.263153020397368,11.116811498336135,106.72204505928802,3.6635616461296463,0.0,4.875197323201151,0.0,6.3080984415095305,0.0,7.861341795599989,0.0,9.484100989086919,9.709720748057432,244.219100896,5.309110889043478,36.56513977128657,2.031396653960365,0.0,0.0,0.0,721.0,23.0,7.941000000000002,84.0,1.256719089899872,2.1843292968591865,2.936309932296593,3.7146435895732446,4.733034996678946,5.494500055356835,6.347232371304643,7.257741409876753,8.14523735409466,9.042605398732292,93.80589529879312,105.95070233853872,104.88115201630991,119.60763511586154,120.91097297609616,127.4392697624154,158.74048399899684,190.12681638464994,214.98812196806844,219.05787887031528,327.81608681624647,421.2027332149368,443.96951542762326,541.9157875229927,593.8126392733573,638.1999590278817,765.6922954721517,906.5774057843765,1023.6613479036575,1100.0280755151705,9.196343201831597,15.70604238952791,20.77548738400809,26.308743915181424,33.275170388696644,38.45526816551209,44.4698876657031,50.94541834680999,57.19580437049393,63.493685318263175,2.395707111310264,3.301328375880705,3.6460657754187484,4.545710227228369,5.181378205772375,5.659434074015178,6.697770261875917,7.867679686231882,8.872694380834279,9.68773838931525,176.77527099280462,326.40948433761366,463.9453869297059,583.989647045129,762.2045113667409,898.1398709271522,1034.453237259852,1175.5346588956584,1317.701195034818,1461.954307840241,2.658801921586416,3.98591760007475,4.765219460647954,6.057714212035461,7.2760981558991755,8.067645134280593,9.390133559373758,10.98191772798788,12.56825215542491,14.429117173159236,0.4933957646644229,0.6891924682965758,0.7687591439660592,0.9613258461395842,1.1038130810863858,1.209752701580908,1.4285367964556148,1.6753843840762137,1.8888955958221822,2.0671634301252086,489.6272943383994,437.76734430047486,15.855324317417297,90.32052699131873,-80.75403004286326,-5.137649526536736,399.30676734708067,518.5213743433382,20.992973843954033,0.844260942675447,0.7548391910443799,0.027339225589405332,0.1557390573245533,-0.1392436130852402,-0.008858813392482469,283.9582826151193,253.88221757635694,9.195260794362259,52.38119284996728,-46.83312378695314,-2.979568649670637,0.06939622110500376,0.07300920990497574,0.5787653304708364,0.6865163174921056,579.947821329718,0.0,1.0,0.0,1272.6013184848534,35.67353807074445,10.836710121465755,1544.6875779493294,39.30251363398185,11.55970855384575,2553.102034279131,50.52823007269433,13.667509692562863,2.4047447513453917,2.4047447513453917,3677.0604929490005,3304.981290337016,577.0535631597527,1.1125813340305,6.372130297254634,5.72733884917033,7.01796291449117,7.156745610160878,13.537163235370642,0.8915249993168803,8.148449997972374,13.109506059366945,5.414706457206035,55.57835440444159,20.117373897516984,12.98864835443936,19.810362484413794,20.415985184387434,30.587127164681316,12.137369058260209,17.357702809748858,24.977254940508832,15.637802811917194,24.01815507709859,13.050546773932478,8.079689268361864,12.051524415344568,13.24111279517603,8.489735568973467,8.544872975895828,7.895405606747032,4.295080081602912,5.567040461158614,3.4659970291597655,1.6144690213290862,0.8837310868940648,4.973201813162973E-10,5.476823505211189E-41,1.1633149595255622E-93,4.7658655352044885E-168,0.6828774689716378,13.005538012126358,0.6337139314609818,16.975595575007876,1.413518747710153,3.214418196585412,5.243406293242051,1.5888789490346868,7.392614212961463,2.152411115164068,2.6776607017409675,1.5406287486263657,2.7320829747474145,4.392857812626707,1.5745088781258307,1.6888340419120678,0.563162375732998,4.317226652520056,1.1159935342009593,1.8142326109606886,0.41464477472671224,0.3018342961869519,0.9683736076574718,0.22259405825936265,0.011811950291210231,0.006224190303519273,3.502666700537152E-12,3.857371576123839E-43,8.193322378717997E-96,3.35663806468E-170,2.2050430689365963,13.026694856363266,1.5380659181664995,20.256287988269246,3.152382584406927,5.052442482461837,7.9554332988160805,4.395591234564239,10.461590072173555,3.5426177046111578,4.724622566322747,5.083052975220217,4.518280834461999,7.013176900212828,3.4974156587621814,2.6931689443338334,1.875766321136755,5.41569729061346,2.0955148054746586,2.6801675001656364,1.3593114151253023,0.8550508665098021,1.2769752738066844,0.7635544053383495,0.11962619640731757,0.0648608618386192,3.650048758981826E-11,4.0196785872328105E-42,8.538073627100004E-95,3.4978756615516693E-169,7.690805610144641,13.103118126469331,5.096705318639676,51.588163714624635,18.236858874414814,12.334698631263583,18.82610944787169,18.896794097320665,28.577970349341644,11.296878724229439,16.123082630401857,23.10328314849562,14.547681929817097,22.326521107585684,12.199552362315746,7.582253755652845,10.98298065896906,12.438995439745145,7.852374595236041,7.953138373109988,7.231434632105181,3.957968419639239,5.062610425867944,3.2246015314213756,1.438766564272913,0.787388488132463,4.4310332802781897E-10,4.879751140918631E-41,1.036492685147004E-93,4.246300389404663E-168,3.2504718209255272,13.041237740960325,2.1801200348046623,23.873905018125313,4.963353782087933,6.360836101870602,9.894769682728327,6.6300105889803405,13.062872773630934,4.689336615408154,6.411738081742562,7.88344047931802,5.996278417101675,9.22336380471767,4.9420179796910375,3.471741509946521,3.0833733635853533,6.384461784371535,2.923991923335054,3.4254202693917875,2.1806971616661923,1.3125772691766389,1.6759057083303732,1.1708600642452298,0.258758606397631,0.14088645905171718,7.92839364821508E-11,8.731279027563659E-42,1.8545836832046938E-94,7.597853346218945E-169,9.843590820629124,13.133183909278955,6.620861643878153,72.19952252910743,27.915155102187363,15.47303488351258,23.559606216830016,26.457123123563374,38.69512894871417,15.509586693707519,22.310355877686604,32.41440572235682,20.014704883339274,30.83808515737683,16.369938055497006,10.042042041060734,16.422557293324328,16.50143792075531,11.060723832684287,10.939823938928654,10.587693518346294,5.64844769489986,7.687807390073046,4.40841375063647,2.3531125491463025,1.2888387357974556,7.25294745516961E-10,7.987432361863183E-41,1.6965855382983962E-93,6.950566979556674E-168,4.899650002412018,11.76351092313845,3.1763450909083004,30.748003146264914,8.897028914498318,8.6387393313787,13.5162030939397,10.583925492003461,17.522085750764443,7.072952963412692,10.02949509956545,12.800688837915809,8.381952159572426,13.16531874502996,8.250404737118869,4.687573035594109,5.459285968127224,8.38865982775923,4.767082526128202,5.11067117521815,3.8733401093128763,2.2359142403429706,2.739716772037419,1.9769427402552708,0.5964354511504796,0.325332641002789,1.8308113227096615E-10,2.0162122637540493E-41,4.282573440192575E-94,1.7544835122656592E-168,15.253043072296581,2.4531737831108256,0.8566799360841724,0.8216951935695678,0.132154685266324,0.5087716792701698,0.3526755626985549,0.4447758547043562,18.56289679149158,52.58692610160108,103.2053857531648,0.7325427903543517,1.3062230966730808,13.34448983231672,1.9589796594566713,0.42173689529674735,0.8486050678030569,0.12457576779834309,0.3934221422729269,0.23427603415362258,0.10445955938557949,15.72520638707014,32.59562185806382,59.34569878156962,0.7729076017045855,0.732157735812129,14.039276861486163,2.144948856723429,0.5823763837865781,0.8373358403856139,0.12792984790090886,0.4333533211521261,0.2770153921733191,0.20192359540056132,16.76660210199617,39.53884170142508,73.84285300479327,0.756003760578421,0.9122923087260066,15.198912523217993,2.439808887037868,0.8446069412615381,0.8223038748305431,0.132000516391712,0.5052549142863083,0.3492698088881896,0.4320632389177672,18.4833283515174,51.980228385539014,101.78364452034712,0.7334558122458148,1.2865879620922651,14.374333881289218,2.231956675062171,0.658869744906912,0.8325630130547703,0.12927517822695825,0.4534531438502652,0.29776829023014156,0.259933590178704,17.2651603012583,43.02427287862909,81.42787903045304,0.7488445195821556,1.0111550242591107,15.425107153933958,2.495448415171942,0.8949612147280557,0.819807785837007,0.13262715256994684,0.5200454133326285,0.3635251704648205,0.48630132914150515,18.815516783833957,54.53076138187052,107.79562570635001,0.7297116787555106,1.369871912938954,15.209949862572136,2.451604808435152,0.8471010004149856,0.8217749647834552,0.13245720553440724,0.5060580770153548,0.3529736580919931,0.43431410051596503,18.50865567142227,52.249906849833664,102.34593063174947,0.7326624471751828,1.293345835623313 +UMLCN0081,L,"1,2-diphenylethane",C1=CC=C(C=C1)CCC2=CC=CC=C2,Aromatics,,C14H14,NREL (2014),CFR,PubChem,,1,0,2.5404000000000004,6.453632160000002,69.2022,33.975101999999985,12,12,28,14,14,0,14,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2033.922589999998,2333.461047,2937.784770000002,2612.0097510000014,1870.5392259999974,1729.3184259999973,1672.761561999998,1380.1690639999986,778.8984039999998,6364.409046523638,7959.0661554272065,10898.096978724321,10856.276648749792,8633.553884985817,7381.049466263303,6673.433045333789,5702.06426411141,3778.523424373062,199.6257200000001,212.75458799999996,348.4599120000002,449.96406000000013,424.900072,366.36234399999995,284.14410400000014,242.18921600000021,197.79188800000014,45.26918066788602,57.423120340000004,82.26866648969795,87.25645001818789,72.86331301758395,61.279232916980064,53.26815243818805,45.91190081879204,32.52921219879201,4363.968113599487,4045.6310093306,6939.565049629701,9633.338883305392,9432.792615526587,8334.992651068782,6243.161244023189,5249.9019237461935,4436.479403960393,64.05555555555556,78.58333333333334,115.66666666666667,128.77777777777777,110.66666666666667,95.0,84.33333333333333,75.33333333333334,56.0,72.64009249999994,80.46417403448275,61.20384937500004,41.460472238095264,31.175653766666624,33.256123576923024,41.81903904999995,40.59320776470584,27.817800142857134,227.30032309012992,274.45055708369676,227.04368705675668,172.321851567457,143.8925647497636,141.94325896660197,166.8358261333447,167.707772473865,134.94726515618078,7.129490000000003,7.336365103448275,7.259581500000004,7.142286666666669,7.081667866666667,7.045429692307692,7.103602600000004,7.123212235294124,7.063996000000005,1.6167564524245006,1.9801075979310345,1.7139305518687074,1.3850230161617125,1.2143885502930658,1.1784467868650013,1.3317038109547013,1.350350024082119,1.161757578528286,155.85600405712452,139.50451756312415,144.57427186728543,152.9101410048475,157.21321025877646,160.28832021286118,156.07903110057973,154.40888011018217,158.44569299858546,2.2876984126984126,2.709770114942529,2.4097222222222223,2.0440917107583774,1.8444444444444446,1.8269230769230769,2.1083333333333334,2.215686274509804,2.0,0.08430310199902159,0.0030584771442948265,-0.03055758368675937,-0.02939182255515817,-0.011533675113626098,0.031041672796496823,0.006644071447025895,-0.012470926892438897,-0.014336607866170654,847.4620629999998,30.266502249999334,-242.1320180000007,-272.39852025000016,-242.13201800000002,242.13201800000041,121.06600900000007,-60.53300450000002,-121.06600899999982,1575.8918940745577,56.281853359805666,-450.25482687844533,-506.5366802382511,-450.25482687844544,450.2548268784452,225.12741343922266,-112.56370671961133,-225.12741343922278,0.16601199999999983,0.005929000000001027,-0.04743199999999882,-0.053360999999999714,-0.047432000000000314,0.047431999999999294,0.023715999999999845,-0.011857999999999966,-0.023716000000000223,7.044969993942996,0.2516060712122584,-2.012848569697992,-2.2644546409102535,-2.0128485696980087,2.0128485696979928,1.0064242848489986,-0.5032121424245006,-1.006424284849004,38.26838881914294,1.3667281721121194,-10.933825376898119,-12.300553549010274,-10.93382537689795,10.933825376898076,5.466912688449013,-2.7334563442244946,-5.466912688448957,5.956349206349209,0.4717970521541952,-1.2862811791383215,-2.6656746031746015,-2.5136054421768668,2.1921768707483,1.6774376417233563,-0.08588435374149647,-1.1388888888888886,0.0030108250713936284,1.054647291136147E-4,-6.366163268074869E-4,-4.665368659548916E-4,-1.9222791856043496E-4,5.969552460864774E-4,1.6610178617564738E-4,-3.6679196742467346E-4,-5.120217095060948E-4,30.266502249999995,1.0436724913792874,-5.044417041666681,-4.3237860357142885,-4.035533633333333,4.656384961538469,3.026650225000002,-1.7803824852941181,-4.32378603571428,56.28185335980563,1.94075356413123,-9.380308893300944,-8.040264765686526,-7.504247114640758,8.658746670739331,5.628185335980566,-3.310697256459157,-8.040264765686528,0.005928999999999994,2.0444827586210438E-4,-9.881666666666422E-4,-8.469999999999954E-4,-7.905333333333385E-4,9.121538461538326E-4,5.928999999999961E-4,-3.487647058823519E-4,-8.47000000000008E-4,0.25160607121224987,0.008676071421112359,-0.0419343452020415,-0.03594372445889291,-0.03354747616163348,0.03870862634034601,0.025160607121224966,-0.014800357130132372,-0.035943724458892996,1.366728172112248,0.0471285576590386,-0.22778802868537748,-0.19524688173032181,-0.18223042294829916,0.2102658726326553,0.13667281721122532,-0.08039577483013219,-0.1952468817303199,0.2127267573696146,0.016268863867386043,-0.0267975245653817,-0.042312295288485735,-0.041893424036281116,0.042157247514390386,0.04193594104308391,-0.002526010404161661,-0.04067460317460316,0.03502851431511362,-0.21144248228038523,-0.15495316230342948,-0.06384559514494076,0.1982696543078018,0.05516819550687593,-0.12182440318756065,-0.17006026499875465,0.034482758620688905,-0.16666666666666716,-0.142857142857143,-0.13333333333333336,0.15384615384615413,0.10000000000000007,-0.05882352941176473,-0.14285714285714268,0.034482758620689676,-0.16666666666666677,-0.142857142857143,-0.13333333333333347,0.1538461538461539,0.10000000000000006,-0.05882352941176474,-0.14285714285714302,0.034482758620695664,-0.16666666666666272,-0.14285714285714224,-0.13333333333333433,0.15384615384615172,0.09999999999999945,-0.058823529411764594,-0.14285714285714435,0.03448275862069083,-0.16666666666666607,-0.14285714285714315,-0.13333333333333397,0.15384615384615336,0.09999999999999991,-0.05882352941176481,-0.1428571428571435,0.034482758620686414,-0.16666666666666874,-0.14285714285714335,-0.13333333333333292,0.15384615384615516,0.10000000000000038,-0.05882352941176467,-0.14285714285714196,0.0764777504652071,-0.12597157450588486,-0.19890443408098282,-0.19693537641572248,0.1981755752575206,0.19713524317121914,-0.011874436650076398,-0.1912058627581611,0.9020261572856089,1.1081835816942298,1.0568529789340777,0.9401206529196968,0.6592085549932968,0.8990722433188914,1.249346851974469,1.3768632770566434,0.9310344827586213,1.125000000000001,1.1020408163265318,1.0928571428571439,0.8159340659340666,0.8678571428571437,1.0210084033613454,1.1020408163265314,0.9310344827586211,1.125,1.1020408163265305,1.0928571428571427,0.815934065934066,0.8678571428571431,1.021008403361345,1.102040816326531,0.9310344827586203,1.1249999999999993,1.10204081632653,1.092857142857142,0.8159340659340655,0.8678571428571424,1.021008403361344,1.10204081632653,0.9310344827586214,1.1250000000000009,1.102040816326531,1.0928571428571434,0.8159340659340666,0.8678571428571434,1.0210084033613454,1.1020408163265314,0.9310344827586211,1.1250000000000004,1.1020408163265307,1.092857142857143,0.8159340659340667,0.8678571428571434,1.0210084033613454,1.1020408163265312,0.8987801235957633,1.0414307128580942,1.1072618254496995,1.089173884077281,0.707067083482806,0.821602265156562,1.1258376768428886,1.2951365756162552,80.70381375263479,40.351906876317386,65.26062442491761,80.70381375263479,5.7645581251881985,40.351906876317386,-1.4210854715202004E-14,6.661338147750939E-16,4.7580986769649563E-17,-48.92305754062867,74.08347066698694,5.291676476213353,6.027269415295504,80.70381375263479,40.351906876317386,65.26062442491761,80.70381375263479,5.7645581251881985,40.351906876317386,-1.4210854715202004E-14,6.661338147750939E-16,4.7580986769649563E-17,-48.92305754062867,74.08347066698694,5.291676476213353,6.027269415295504,80.70381375263479,40.351906876317386,65.26062442491761,80.70381375263479,5.7645581251881985,40.351906876317386,-1.4210854715202004E-14,6.661338147750939E-16,4.7580986769649563E-17,-48.92305754062867,74.08347066698694,5.291676476213353,6.027269415295504,80.70381375263479,40.351906876317386,65.26062442491761,80.70381375263479,5.7645581251881985,40.351906876317386,-1.4210854715202004E-14,6.661338147750939E-16,4.7580986769649563E-17,-48.92305754062867,74.08347066698694,5.291676476213353,6.027269415295504,80.70381375263479,40.351906876317386,65.26062442491761,80.70381375263479,5.7645581251881985,40.351906876317386,-1.4210854715202004E-14,6.661338147750939E-16,4.7580986769649563E-17,-48.92305754062867,74.08347066698694,5.291676476213353,6.027269415295504,80.70381375263479,40.351906876317386,65.26062442491761,80.70381375263479,5.7645581251881985,40.351906876317386,-1.4210854715202004E-14,6.661338147750939E-16,4.7580986769649563E-17,-48.92305754062867,74.08347066698694,5.291676476213353,6.027269415295504,99.33053738595504,49.34397969250673,82.77388717640947,99.23348523176,7.088106087982857,49.34397969250673,-0.16984126984132075,0.0031380594438107923,2.241471031293423E-4,-8.069810954289057,68.78786094459215,4.913418638899439,5.923438205458393,0,11.850000000000003,12.150172447925994,-0.21003933628077878,0.09016001449976116,6.5767871093750045,8.919696707210566,15.0,29.0,23.0,17.0,3.0,6.0,0.0,0.0,0.0,12.0,15.304897999999996,3.821835482428015,3.730499184125154,3.10250162551159,2.6606131294625195,2.6191819138397143,2.6191819138397125,2.2028109511403176,1.5040261772097856,2.0182337278209395,1.9231782178985488,1.5224728707760138,1.0822503020169485,1.0822503020169474,1.060945469325249,0.8271046138607876,0.6340643206630154,3.833864324953378,3.7422439303209325,3.128396870575745,2.681502641269175,2.6458150318986875,2.6458150318986835,2.2420701251948882,1.5922685167354171,1.986489537170774,1.89195183745035,1.4574470972996805,1.0071675921888015,1.0071675921888013,0.9905629679983606,0.7330641461412686,0.4958665598782652,3.8884128051625644,3.795624699305276,3.2472298442777805,2.7836322235092386,2.7718202154797913,2.771820215479788,2.4217723890906413,1.9652149752128152,1.8996818111281637,1.8066737836638325,1.2718275732571414,0.8061115844745904,0.798620231484354,0.7986202314843518,0.458719164104913,0.03531327029003094,3.842806008622875,3.7509811311662933,3.147755104354976,2.6974277561755264,2.665925019264033,2.6659250192640322,2.2714234665460697,1.6567874832459404,1.9669066369357933,1.8726951665917548,1.4164441901213536,0.9602789912487918,0.9602789912487911,0.9476381723695747,0.6732000951312237,0.4032965097454946,3.9161590402413564,3.822840312619239,3.307681307383113,2.8397153043340446,2.83807858764589,2.838078587645888,2.5123510187989284,2.133302438115145,1.8743056975760317,1.7818023285737148,1.2164031041280996,0.7561181321333819,0.7385642758080664,0.7385642758080634,0.3753165192465358,0.12606779449464492,3.8520837860145414,3.7904962816771683,3.098581141220338,2.7407152565276607,2.7407152565276602,2.7040153657457844,2.2833176850759798,1.672463472902606,1.9735718915358784,1.8295030466294568,1.4299337920186146,0.9254612654939636,0.8732502725133363,0.8732502725133345,0.61731080366309,0.3407221063064455,0,0,0,10,2,0,2,0,0,0.0,0.0,0.0,0.20412414523193154,0.14433756729740646,0.0,0.0,0.0,0.06415002990995841,0.045360921162651446,0.4082482904638631,0.0,0.0,0.0,0.23570226039551587,0.0,0.0,0.0,0.8660254037844387,1.1872873928263243,1.3374299245754706,0.4388321936425753,0.5114856834587245,0.48500488549159215,9.639981912617824,6.949489742783179,5.585421958697399,4.432652990377571,3.423034122737622,2.707908118985982,1.2844570503761732,0.8707908118985981,0.6885701366155589,0.46329931618554526,0.31030121992763326,0.21107871382750337,0.14262642178073426,0.09671100424949937,0.06422285251880866,0.043539540594929906,8.187716254269356,5.0284739862324646,3.4711971193069773,2.3879995933446025,1.5780296102795275,1.0678184427866366,0.4905080880312268,0.2863722521321807,0.584836875304954,0.3352315990821643,0.19284428440594317,0.11371426634974298,0.06575123376164697,0.038136372956665596,0.02452540440156134,0.014318612606609035,17.792794626501113,27.214857975236704,26.078431372549026,26.31999999999999,19.589881437125758,208.39664790419164,0.6354569509464684,0.9719592134013109,0.9313725490196081,0.9399999999999996,0.6996386227544914,7.442737425149701,3.4718000000000027,60.29200000000004,89.45993031579364,131.4802724688997,178.91986063158728,12.77999004511338,89.45993031579364,9.992007221626409E-16,7.137148015447435E-17,-48.355406389277235,99.91013750697635,7.136438393355454,6.44597961987339,212,0.0,0.0,0.0,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.0,2.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.073703703703707,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.19,0.0,0.8905555555555555,0.0,0.0,4.19,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2596296296296297,0.0,0.0,21.24712396069539,0.0,0.0,0.0,0.0,2.826579743008315,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4132898715041573,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4065972222222222,0.0,0.4452777777777778,0.0,0.0,0.4065972222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1298148148148148,0.0,0.0,2.0615249433106575,0.0,0.0,0.0,0.0,1.4132898715041573,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.183472222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4330555555555556,0.0,0.44527777777777783,0.0,0.0,0.4330555555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1298148148148148,0.0,0.0,2.183472222222222,0.0,0.0,0.0,0.0,1.4132898715041575,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,26.333333333333336,1.8809523809523812,0.44527777777777783,2.183472222222222,0.1597222222222222,1.1298148148148148,8.007347494331066,0.3701851851851853,0.1834722222222222,2.494247921390778,0.3701851851851853,0.1834722222222222,2.494247921390778,7.0,0.5,0.0,0.0,0.5,0.7,0.44,0.44,0.7,0.06,0.06,-0.0,0.0,0.71429,0.0,0.0,0.0,0.14286,0.0,19.5,1.39286,7.5,0.53571,12.0,0.85714,4.5,0.32143,0.0,0.0,7.47312,0.53379,17.32207,9.84894,0.7035,2.98511,0.21322,6.94948,3.96436,0.28317,-0.03548,-0.00253,0.13652,0.00975,0.5,43.0,0,0,0,0,0,0,0.14285714285714285,1.0,2.005977711423774,2.35274578087187,3.039148671903071,3.378783493486176,3.378783493486176,28.0,56.16737591986566,65.87688186441235,85.09616281328599,94.60593781761293,94.60593781761293,0.20801459767650948,0.4172726465898615,0.4894054670431671,0.6321872882650154,0.702836289033558,0.702836289033558,3.8073549220576037,2.80137721063383,2.454609141185734,1.7682062501545328,1.428571428571428,1.428571428571428,0.1949590218937863,0.3910834525599149,0.45868901620351227,0.5925094524640224,0.6587243250809351,0.6587243250809351,6.503912516,13.831858899003262,17.993075732380415,22.41817513206578,22.760467606996087,22.76046760699608,49.0,45.266767643959135,40.205579759104054,32.00821956565707,30.782581419106318,30.782581419106325,10.515555555555556,5.777777777777778,3.5918367346938775,2,6,2,3.0,1.6059999999999999,0.0,0.0,0.0,0.0,19.671523671250718,9.627407798682908,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.181,0.184,0.979,1.288,7.066,18.0,21.0,24.0,28.0,20.0,20.0,20.0,20.0,16.0,216.0,3.091042453358316,3.58351893845611,4.051784947803305,4.502583597212991,4.968944867042047,4.523146350509501,4.721841492791785,5.029620594007336,5.432902890880455,5.614495783829436,7.102653664856044,5.621238425925926,0.4444444444444444,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.2,3.0,0.2,0,5.0,9.0,0.8,1.5,0.666666666666667,0.125,0.3022222222222223,0.18055555555555555,0.0016326530612244816,0.048611111111111105,0.032249937011841784,0.0,0.0,0.1,0.037037037037037056,0.008333333333333333,0.030222222222222227,0.018055555555555554,1.6326530612244817E-4,0.006076388888888888,0.008062484252960446,0.0,0.0,0.20795028659611997,50.327297248750966,78.88440052736424,100.65459449750193,7.18961389267871,50.327297248750966,1.3877787807814457E-16,9.912705577010326E-18,-51.119119825708054,80.6165804492861,5.758327174949008,6.145586077577676,0.0,188.36857385653363,4.807354922057604,4.204692619390966,4.976733742420574,5.765191102784844,6.54965074223381,7.3427791893318455,8.131236549696116,8.925720273560222,9.715771471424866,10.510613774571024,95.12238946541427,3.4339872044851463,0.0,4.634728988229636,0.0,6.042632833682381,0.0,7.529943370601589,0.0,9.049114723476961,9.30008966411979,182.109550448,6.503912516,28.590046490633327,2.0421461779023806,0.0,0.0,0.0,343.0,15.0,4.398000000000001,66.0,1.2495507908470675,2.219107891706904,3.0370016692687707,3.8896953912252097,4.681917310059136,5.530054563991372,6.243631558227536,7.173149377264681,8.165734393224284,9.213271586819351,109.80286220206219,144.5479358977551,131.6156817739583,131.7053486122839,168.44096086109434,248.22719222049986,274.96026045689985,210.7586024865045,121.34629764874428,43.19368491693893,364.5727494308307,525.1978905942611,542.0932229799417,587.5704169439762,700.1438639301007,963.0220034538543,1109.8084299818347,1004.9256637990767,775.8233944444419,541.5603527961131,9.196787648160484,16.143814690384158,21.743598387360645,27.600835531977033,33.06350181663274,39.34245507975719,44.62191757739231,50.7745127035123,56.8471415318989,63.11666820414328,2.591618763394077,3.9229074028546855,4.328294088597277,4.887774280124232,5.732077870443479,7.586524743778318,8.817640179879167,8.573752656736605,7.423270896436618,6.1368690152378385,172.4734534055932,318.59167920808625,460.46877035109196,607.6503148203584,744.9397466968496,859.3505232719262,953.4110811961355,1128.8270818796739,1355.3361339373284,1606.7077547980455,3.479056023613309,5.451919742008168,6.319156290575656,7.3131102638074745,8.760182651697777,11.879154615315839,14.323944407362665,14.67055386598505,13.593012577597952,12.263703299468148,0.5309242164031996,0.811389534023701,0.9067916837718223,1.0320065430777028,1.2084636244206142,1.5876703061415793,1.8464196994598499,1.8179211439193974,1.6056976357260553,1.3631784141507761,310.10687263523624,231.09884115181305,16.941029528983318,165.92308509965096,-123.64973520585578,-9.167985265559691,144.18378753558528,354.7485763576688,26.109014794543008,0.6514440269911382,0.4854712133065324,0.035588158378927474,0.34855597300886176,-0.25975200341218724,-0.019259261138068053,147.62016147384955,110.00997158607898,8.064437570667405,78.98435918722895,-58.86097822397352,-4.364235638478449,0.08323533413470523,0.08284994928553262,1.1453110413971457,1.4486686632501304,476.0299577348872,0.0,1.0,0.0,1136.7152950193367,33.71520866047453,10.436396437819123,1274.456923100419,35.69953673509531,10.841974635793736,2030.5051237167488,45.061126525163004,12.66294430020594,2.39496620720769,2.39496620720769,1691.5490484914342,1517.5817344545585,245.06230129563073,1.1146345597651794,6.902526580172913,6.1926364293128255,5.437580959886424,5.767413771542141,10.275069379336097,0.7815731255551412,4.721409927478436,4.190854655038261,5.878121279251263,15.558660709401272,6.713481874341062,8.335519322204831,6.599338978987728,9.547283986675458,11.74297842517363,9.247436898230124,9.247156802003673,2.3550822857988054,6.011954555907216,5.426412191083973,3.768430017552124,2.7513131694079807,1.7023467886369503,0.2639994896310566,1.1367247293680605,0.006349699628366985,1.5023291361338263E-23,6.855927411154649E-66,6.034527021069076E-130,1.0244627378063987E-215,3.5E-323,0.0,0.0,0.0,0.0,0.0,0.3964357373784785,4.190769327673113,0.4881299430554716,6.785834118245004,1.628709719692223,2.1988542951422874,0.8005674311212548,2.457816795509958,4.6923773541823,1.788866921312764,3.4096805384461804,0.4368651923749191,1.6992287258938865,1.2453860185392893,1.246541180445496,0.07750260170365697,0.1297439557260508,0.0021435087013887593,0.00800604521356096,4.4721453667589824E-5,1.0581026944160844E-25,4.828685733362239E-68,4.250166722421253E-132,7.215374827858416E-218,0.0,0.0,0.0,0.0,0.0,0.0,1.2792551747557064,4.190775340223916,1.5779712343353296,7.789013132193462,2.3016196535838214,3.319528135096612,1.8067139234410685,3.57821311743904,5.550027467892531,2.9222572724900515,4.285118719925361,0.7531234373633781,2.4458977132117123,1.900397112927039,1.7042509511141983,0.3502801043486357,0.4274759056391628,0.020106076190925654,0.08342916381861042,4.660320276383034E-4,1.1026245877281097E-24,5.031862827790385E-67,4.4290014143396804E-131,7.518976878951824E-217,4.9E-324,0.0,0.0,0.0,0.0,0.0,4.456638106670552,4.190845396794241,5.544481008377802,14.742988307277319,6.2730706925334845,7.913157433897898,6.181546453602893,8.997690914851153,11.105620380035608,8.653191060927638,8.777959610907022,2.2110150334960097,5.700651522547428,5.1002564016265906,3.5938553195102765,2.491044546550492,1.5978410803628003,0.23541443868314993,1.0128012687950079,0.005657468051788096,1.3385482130488436E-23,6.108507892358522E-66,5.376654932909078E-130,9.127778554270992E-216,3.0E-323,0.0,0.0,0.0,0.0,0.0,1.8852830423155493,4.1907828539084875,2.32919243484325,8.711501575231729,2.8719274217105237,4.128014375097437,2.550107274330166,4.444338536797329,6.311445048707498,3.8158150137530664,4.979940725704278,0.9925801927258867,2.998146105363586,2.408958328362147,2.0353971018231465,0.6185939178893425,0.6387688451840967,0.042973884251631005,0.1812192921718336,0.001012283838318642,2.3950479445507165E-24,1.0929878452821374E-66,9.620382904468802E-131,1.633222251660735E-216,4.9E-324,0.0,0.0,0.0,0.0,0.0,5.701740804850704,4.190893515092959,7.117606748198052,18.895064943337246,8.490738073516807,9.952336527361165,8.217536663015128,11.713413268789205,14.33641401605517,11.603938836961039,11.111358602173638,2.91874094522257,7.2182536490106655,6.713722973660113,4.437721768735727,3.8246299047466095,2.0986313074771137,0.3840916628928829,1.6578061866053333,0.00926044015321494,2.1910058537960076E-23,9.998725798327492E-66,8.800790525888297E-130,1.4940826224711896E-215,4.9E-323,0.0,0.0,0.0,0.0,0.0,2.511440281494959,3.4760929332029695,3.161903668746306,8.877792205507848,3.2742767003829183,4.8292718078174035,3.444882239998456,5.134693158158567,7.1893329322335795,4.923774232200591,5.64101602657743,1.2710089884129256,3.7092630893847605,3.212672231628393,2.6058866165049945,0.9896458852507222,0.9140830330227615,0.07566329442236529,0.32129184787778536,0.0017947236251304856,4.246288409133263E-24,1.9378073951733374E-66,1.7056410295090287E-130,2.895613314357454E-216,1.0E-323,0.0,0.0,0.0,0.0,0.0,8.801075388725021,2.0845605653074295,0.40484897097320177,0.779512611476306,0.18462985240701574,0.5350348025129736,0.5256287928664125,0.2362106782447498,11.290484925005652,22.75341320201286,41.47140904039591,0.669268917214459,1.2968742736241359,8.138077229208934,1.1520637996420562,0.19549218378936506,0.8579371610494387,0.12145354704489736,0.45860928068334783,0.1606309175687736,0.055708713558277986,9.485633212640355,11.191734131904198,22.510220769111324,0.786905741574158,0.6749489118103994,8.350505193479409,1.4514822936636196,0.2633997308916315,0.8296258268650996,0.144205310955442,0.48239853838956387,0.25487770603471055,0.10060678576175992,10.06538721803466,14.702451297798072,27.96040404172725,0.7444387402976494,0.8378830301860344,8.778364654973045,2.0527164167327188,0.39779399765021983,0.7817670604359582,0.18280695119092186,0.5323106432621484,0.5096917549813088,0.22810620206012033,11.228875069355984,22.328032277716883,40.72495359837682,0.6726505906539375,1.2701086003035775,8.463679861580289,1.6107592942058657,0.2992378611884303,0.815880410362792,0.15527370782511918,0.49534092687511844,0.313858840548808,0.12959489571852326,10.373677016974586,16.64760462587389,31.10077674184202,0.7238206155441881,0.9387946631424496,8.875154250447173,2.1883835025591405,0.4278101717767928,0.7723336120827345,0.19043749409410082,0.543973137255033,0.5792943326244907,0.26355640798748897,11.491347924783106,24.15533513091889,43.95571537595505,0.6585004181241019,1.3868238778670128,8.804585213169181,2.052497023074577,0.3966023476928187,0.7823735548565826,0.18238444553566888,0.5354901600898108,0.5095812730585564,0.22664640507439576,11.253684583936577,22.377329243424455,40.79816752040207,0.6735603322848738,1.2717178382227627 +UMLCN0082,L,3-ethyl-3-(beta-naphthyl)nonane,C(CCCCCC)(CC)(CC)C2=CC1=CC=CC=C1C=C2,Aromatics,,C21H30,NREL (2014),Unknown,UML,,13,0,0.9579,0.91757241,93.6647,56.96378999999996,10,11,51,21,30,0,21,0,0,0,0,0.0,0.0,0.0,0.0,0.0,3060.0284609999976,3537.023302000002,4817.378021000008,5562.072969000017,5284.645493000011,4701.749665000023,4255.829279000031,3802.715636000007,2769.668677000004,9826.367269663853,12759.470329600814,18630.897496521884,22385.64687744587,23466.743446418754,22360.97832323775,20022.368506922343,18130.14291305577,14967.13511250043,359.90475599999985,379.4203120000004,689.1696200000011,952.5494760000017,1080.1728200000005,1230.2117800000017,1122.6015320000022,965.6107040000015,905.310292000002,71.90528714546991,94.76212929999997,144.7826662875841,179.08228191426244,194.43145094971553,193.2736051651857,173.21972913518553,155.96077103820525,134.6559953230538,8210.21103861747,7383.152265367005,14444.968692355882,20857.805033804103,23623.938346193827,28204.92283942254,25960.74100697487,21882.00489821993,20873.116962188393,95.64583333333334,117.48611111111109,184.31944444444443,240.0694444444444,276.1249999999999,289.2916666666666,256.4999999999999,233.33333333333326,217.16666666666669,60.00055805882348,68.01967888461542,50.181021052083416,41.50800723134341,34.7674045592106,26.867140942857276,26.598932993750196,27.757048437956257,21.47029982170546,192.67386803262457,245.37442941540027,194.07184892210296,167.05706624959603,154.38647004222864,127.77701898992999,125.13980316826465,132.33680958434869,116.02430319767775,7.056955999999997,7.29654446153847,7.178850208333345,7.108578179104491,7.10640013157895,7.0297816000000095,7.016259575000014,7.048253313868624,7.017909240310093,1.4099075910876453,1.8223486403846147,1.508152773829001,1.336434939658675,1.279154282563918,1.1044206009439184,1.0826233070949096,1.1383997886000383,1.043844924984913,160.98453016897,141.98369741090394,150.4684238787071,155.65526144629928,155.42064701443306,161.17098765384307,162.25463129359292,159.72266349065643,161.80710823401856,1.8754084967320264,2.25934829059829,1.9199942129629628,1.7915630182421225,1.8166118421052624,1.6530952380952375,1.6031249999999992,1.7031630170316296,1.6834625322997419,0.09646324948546736,-0.013328474569883418,-0.022547697387494292,0.02118139113761411,-0.03950560326393849,-0.015767607436661956,0.025211715211634844,9.644796908167682E-5,-0.024905331140066968,1495.5212876470578,41.891352595159,47.75614195848074,315.02297151557286,-647.221397595154,-111.01208437716446,186.41651904844016,-349.79279416955114,-563.8576059307973,2780.985695425689,77.89875897550353,88.80458523207514,585.7986674958278,-1203.5358261716267,-206.43171128509857,346.64947744102193,-650.454637445504,-1048.517295810357,0.2929623529411758,0.008206228373701517,0.00935510034601995,0.06171083737024167,-0.1267862283737033,-0.02174650519031171,0.036517716262975876,-0.06852200692041545,-0.11045583391003488,12.432299989311176,0.34824369717960285,0.3969978147847456,2.618792602790493,-5.380365121424578,-0.9228457975259091,1.5496844524491427,-2.907834871449536,-4.687360164037221,67.53245085731112,1.8916652901196782,2.1564984307366277,14.225322981707475,-29.226228732366458,-5.012913018819663,8.417910541037884,-15.795405172508284,-25.461814805025043,8.281862745098033,-0.23101691657054962,1.3856930026912728,4.654435793925414,-1.6407151095732408,-2.5182381776239957,0.29137831603229164,-1.196294694348332,-2.9274077277970116,0.0018914362644209288,-2.563168186516042E-4,-2.3487184778639888E-4,1.580700831165232E-4,-2.5990528463117426E-4,-9.01006139237826E-5,1.5757322007271777E-4,7.039997743188089E-7,-1.9306458248113928E-4,29.323946816608977,0.8056029345222885,0.4974598120675077,2.3509176978774096,-4.258035510494435,-0.6343547678695112,1.1651032440527511,-2.5532320742303005,-4.370989193261995,54.529131282856646,1.4980530572212216,0.925047762834116,4.37163184698379,-7.9179988563922805,-1.179609778771992,2.166559234006387,-4.747844068945285,-8.128041052793465,0.005744359861591682,1.5781208410964456E-4,9.744896193770781E-5,4.605286370913557E-4,-8.341199235112059E-4,-1.2426574394463835E-4,2.282357266435992E-4,-5.001606344555872E-4,-8.562467744963945E-4,0.24377058802570933,0.006696994176530824,0.0041353939040077664,0.01954322837903353,-0.03539713895674065,-0.005273404557290909,0.009685527827807142,-0.021225072054376175,-0.03633612530261412,1.3241657030845317,0.03637817865614766,0.022463525320173205,0.10615912672916025,-0.19227782060767407,-0.028645217250398078,0.052611940881486775,-0.11529492826648383,-0.1973784093412794,0.16238946559015752,-0.004442633010972108,0.014434302111367425,0.034734595477055326,-0.010794178352455532,-0.01438993244356569,0.0018211144752018227,-0.008732078060936729,-0.022693083161217143,-0.13551438315584835,-0.12417645373755477,0.08357145630012387,-0.1374116006550955,-0.04763608249383295,0.0833087654269754,3.7220380488704513E-4,-0.10207300458006542,0.02747252747252965,0.016964285714286875,0.0801705756929643,-0.14520676691729295,-0.02163265306122486,0.0397321428571423,-0.08706986444212753,-0.14905869324474025,0.027472527472525366,0.016964285714284627,0.08017057569296326,-0.14520676691729384,-0.021632653061224326,0.039732142857143396,-0.08706986444212718,-0.14905869324473964,0.02747252747252451,0.016964285714284284,0.08017057569296324,-0.1452067669172946,-0.021632653061224832,0.039732142857143056,-0.0870698644421277,-0.1490586932447405,0.0274725274725289,0.016964285714286525,0.08017057569296424,-0.14520676691729306,-0.021632653061224714,0.03973214285714261,-0.08706986444212732,-0.14905869324474008,0.02747252747251177,0.016964285714277546,0.08017057569296016,-0.1452067669172968,-0.021632653061222983,0.039732142857145235,-0.08706986444212689,-0.14905869324473753,-0.02735788922530562,0.0888869364703562,0.2138968519344681,-0.06647092724412396,-0.08861370650657446,0.011214486534477524,-0.05377244163716235,-0.13974479858496794,1.308540849275151,1.0558601741860185,0.8176835278246186,1.1432186070839239,0.9993008323766284,0.8072000628399223,0.9616101544954635,1.1548749698136536,1.1675824175824194,1.075148809523811,0.9514925373134344,1.1716791979949892,0.9829931972789131,0.9107142857142871,1.0636079249217951,1.098191214470286,1.167582417582418,1.07514880952381,0.9514925373134332,1.1716791979949877,0.9829931972789119,0.9107142857142861,1.0636079249217938,1.0981912144702846,1.1675824175824185,1.075148809523811,0.9514925373134349,1.1716791979949905,0.9829931972789144,0.9107142857142879,1.0636079249217962,1.0981912144702868,1.1675824175824179,1.0751488095238084,0.9514925373134314,1.1716791979949877,0.9829931972789115,0.910714285714285,1.063607924921793,1.0981912144702832,1.1675824175824172,1.0751488095238089,0.9514925373134319,1.171679197994986,0.9829931972789104,0.9107142857142847,1.0636079249217925,1.098191214470283,1.2351932372648569,0.8435347201670453,0.672217854203384,1.070482417200148,1.0529319748023511,0.8675982785834074,1.0355933924216343,1.2090178507929743,166.91899279968044,83.45949639984016,122.0311431780519,166.91899279968035,7.948523466651446,83.45949639984016,-1.1368683772161603E-13,0.5056414757907105,0.02407816551384336,-1.432047554070192,588.4673202613494,28.022253345778545,13.392794928642154,166.91899279968044,83.45949639984016,122.0311431780519,166.91899279968035,7.948523466651446,83.45949639984016,-1.1368683772161603E-13,0.5056414757907105,0.02407816551384336,-1.432047554070192,588.4673202613494,28.022253345778545,13.392794928642154,166.91899279968044,83.45949639984016,122.0311431780519,166.91899279968035,7.948523466651446,83.45949639984016,-1.1368683772161603E-13,0.5056414757907105,0.02407816551384336,-1.432047554070192,588.4673202613494,28.022253345778545,13.392794928642154,166.91899279968044,83.45949639984016,122.0311431780519,166.91899279968035,7.948523466651446,83.45949639984016,-1.1368683772161603E-13,0.5056414757907105,0.02407816551384336,-1.432047554070192,588.4673202613494,28.022253345778545,13.392794928642154,166.91899279968044,83.45949639984016,122.0311431780519,166.91899279968035,7.948523466651446,83.45949639984016,-1.1368683772161603E-13,0.5056414757907105,0.02407816551384336,-1.432047554070192,588.4673202613494,28.022253345778545,13.392794928642154,166.91899279968044,83.45949639984016,122.0311431780519,166.91899279968035,7.948523466651446,83.45949639984016,-1.1368683772161603E-13,0.5056414757907105,0.02407816551384336,-1.432047554070192,588.4673202613494,28.022253345778545,13.392794928642154,213.5699287662276,106.06320634813072,158.48585745950368,213.32548432178316,10.158356396275387,106.06320634813072,-0.4666666666667254,0.6699445313663903,0.031902120541256684,-0.8411767539623948,204.487517181737,9.737500818177953,11.17306455918176,0,11.849999999999994,12.150287253676701,-0.2056133033859763,0.0947205787751246,5.201078268875419,12.344193432148021,22.0,52.0,47.0,41.0,11.0,5.0,0.0,0.0,0.0,11.0,32.796209999999995,4.005683825495461,3.6324662683705338,3.3933274150758104,3.1843036800233246,2.984711206817018,2.9025640775777024,2.8653513092201925,2.5624223717830144,2.12924271515059,1.9342268650578462,1.8229911853662972,1.5797710073429783,1.563026335062254,1.522347834328347,1.2686892796354765,1.1950294738820082,4.012894291647873,3.6499733329347874,3.422343036010935,3.2063887815712375,3.0262208569786218,2.950308951251467,2.8842289596220363,2.604443150065812,2.1080771096702056,1.8848879066626634,1.760563626920626,1.4975414754601968,1.4734536838206154,1.470328111800693,1.1778478656010303,1.1294509575393226,4.045991683839994,3.731954448144086,3.5501781414397753,3.3048008125272474,3.207319175629911,3.155598407702863,2.9745347434892904,2.812097175333306,2.0529308771733294,1.7493072659111293,1.5756880038295669,1.3247278814265504,1.2429654145927547,1.1954927464150684,0.9942205224291909,0.8545804742294185,4.018271949336202,3.663136275728833,3.443743487016016,3.222725667877085,3.056767011281101,2.9852679791261028,2.8984960950854965,2.6373852125536597,2.0953263844484087,1.8542412893198574,1.7206816104324296,1.44690691861132,1.4350073768861207,1.4151331810518304,1.1268176052829908,1.0808586754744849,4.063153908114057,3.774855778436457,3.6123784351133934,3.353618720472399,3.29385711943757,3.2522175179205774,3.0237708226232956,2.9151327041215698,2.0373591630238534,1.7104022656426292,1.5177834064706832,1.2796530965174033,1.161782789149621,1.104407162995435,0.950414026024333,0.7580725372937586,4.072986196510048,3.6172119383066805,3.415930460482893,3.300883005915991,3.065908090958785,3.061422362248421,3.005309157445862,2.676124722616951,2.0709865723487004,1.8812065729459109,1.7366408557653896,1.4139191569657474,1.3253136534628158,1.3165440472001475,1.0461552877426163,0.9823520488376707,0,0,0,7,3,3,7,0,1,0.0,0.0,0.0,0.15137471507731048,0.24809686593468416,0.0,0.0,0.0,0.051834038994012184,0.07188092334087419,1.087460297819596,0.10206207261596577,0.299839684279443,0.051031036307982884,0.8017766952966369,0.08838834764831843,0.1527777777777778,0.029462782549439483,3.2851648207570654,5.2778755864638445,5.636072991518064,2.2333529958718517,3.2394826641236243,2.7010917127158214,15.131545744180547,10.25347872605079,8.194731704453844,7.34217773707027,5.718413547703614,4.255638225430088,2.8590515906432894,2.1939567832291345,0.7205497973419308,0.46606721482049046,0.2825769553259946,0.18826096761718641,0.12431333799355683,0.07737524046236524,0.04929399294212568,0.03375318128044822,13.991199352633217,8.747364656241675,6.360026856064541,5.2242749170370635,3.5654990567443074,2.2197241290533154,1.3767480400201586,0.9659549041573581,0.6662475882206293,0.3976074843746216,0.21931127089877728,0.13395576710351445,0.07751084905965885,0.0403586205282421,0.023737035172761354,0.01486084467934397,29.12741705678807,49.317552804078716,46.88235294117642,47.400000000000034,32.978317365269504,385.8799940119761,0.5711258246429033,0.9670108392956611,0.9192618223760083,0.929411764705883,0.6466336738288138,7.566274392391689,6.8680000000000065,94.96700000000008,165.67301440998963,231.8474185330004,331.34602881997927,15.77838232476092,165.67301440998963,0.4847462565718057,0.02308315507484789,-1.520672385284755,113.00868948688867,5.3813661660423175,9.927675899126772,386,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,10.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,7.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,1.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.109203449451915,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.643287355525898,0.0,2.6758285129480597,0.0,0.0,2.643287355525898,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.007190289568537,0.0,9.260815728099727,0.0,0.0,15.825989774965697,0.0,0.0,0.0,0.0,1.5441652494331066,2.739048425053115,0.37279053287981845,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3549436180068397,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.32630806720836486,0.0,0.22416283307418217,0.0,0.0,0.32630806720836486,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.28792205449673,0.0,1.24401313303099,0.0,0.0,2.124650545211963,0.0,0.0,0.0,0.0,1.5441652494331066,1.3549436180068397,0.37279053287981845,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.432692507558579,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4161384331699954,0.0,0.30702699829931973,0.0,0.0,0.4161384331699954,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3596341175359035,0.0,1.3807849899218947,0.0,0.0,2.432692507558579,0.0,0.0,0.0,0.0,1.5441652494331066,1.3841048070462754,0.37279053287981845,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,36.75,1.75,0.4161384331699954,2.432692507558579,0.031338931405895665,0.37279053287981845,13.537799233162335,0.8772094671201816,0.43269250755857896,5.666360129068462,0.8772094671201816,0.43269250755857896,5.666360129068462,10.5,0.5,0.0,0.0,0.46471,0.7,0.4377,0.4377,0.7,0.027,0.027,-0.0,0.0,0.71429,0.0,0.0,0.14286,0.14286,0.04762,21.0,1.0,11.0,0.52381,10.0,0.47619,-1.0,-0.04762,0.0,0.0,23.1748,1.10356,34.30852,11.13372,0.53018,7.10634,0.3384,10.25346,3.14712,0.14986,0.16054,0.00764,0.33254,0.01584,0.19607843137254902,64.0,0,0,0,0,0,0,0.5238095238095238,0.9774178175281716,2.3439691487423886,3.2852010109385374,4.245092253354414,4.537635087443512,4.497598930973583,49.84830869393675,119.54242658586182,167.5452515578654,216.49970492107514,231.4193894596191,229.37754547965272,0.17231038904929197,0.4132216833950826,0.5791527984741602,0.7483734024569814,0.799946198298737,0.7928881668472355,4.695007524443325,3.3284561932291075,2.3872243310329586,1.4273330886170816,1.1347902545279842,1.1748264109979134,0.16720887539108267,0.4009876209375646,0.5620060905599852,0.7262166587159947,0.7762625627444919,0.769413495152039,6.779077412629033,18.10980318564859,24.617680616924854,27.797454926456833,27.929583868467628,28.32030011281178,79.92444756687563,55.56331165436083,37.47913132700478,27.683965280489655,26.438776977221636,26.174509589833217,17.355371900826448,8.585017835909632,4.260355029585799,11,10,9,3.77,2.635300000000003,0.4724703937105774,8.56690482665828,1.617813881064766,1.040041911525952,23.058377307635773,13.810111433634345,5.273407588200619,1.6509636244473134,1.3103706971044482,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.244,0.231,0.8160000000000001,1.379,10.424,29.0,39.0,46.0,55.0,58.0,65.0,62.0,55.0,41.0,493.0,3.349904087274605,3.8815637979434374,4.480173695813406,5.0369526024136295,5.626271282214591,5.917296476994568,6.319305894529919,6.615343288081646,6.873604504442673,6.4616878787798715,8.26577775356975,7.885387614097363,0.5,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,3.0,0.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.36363636363636365,11.0,0.5,1,6.0,12.0,1.0,4.0,2.666666666666666,1.1875,0.9955555555555561,0.6875000000000001,0.3657142857142859,0.23611111111111113,0.10632401108591583,0.051250000000000004,0.03295582083460871,0.18181818181818182,0.09195402298850573,0.03598484848484849,0.034329501915708834,0.027500000000000004,0.01590062111801243,0.011805555555555557,0.008178770083531987,0.007321428571428572,0.006591164166921742,0.43529670566076073,95.56678919264662,138.411725113034,191.13357838529333,9.10159897072825,95.56678919264662,0.21634860071113945,0.010302314319578069,-3.2148149880866126,207.49852006931567,9.880881908062651,11.203760835643424,0.0,312.07692493840165,5.392317422778761,4.634728988229636,5.476463551931511,6.340359303727752,7.208600337960199,8.086717920303906,8.96610085736724,9.85087760226383,10.735592003983863,11.623724166852167,115.92316473262012,3.8066624897703196,0.0,5.081404364984463,0.0,6.5998704992128365,0.0,8.22817689595132,0.0,9.910214873285554,10.120130017507979,282.2347509600007,5.534014724705896,42.17190785605073,2.008186088383368,0.0,0.0,0.0,960.0,33.0,8.979000000000001,102.0,1.2514328341456322,2.182628643644535,2.974567713198225,3.7230225326138164,4.463255880555031,5.33018080891835,6.483361751304071,7.46928574482125,8.475828255866135,9.649277245020702,95.89027817205846,120.1970290222723,135.3466158414459,145.7473051324155,138.79777245196945,166.16192556446055,202.3797416770461,179.06786856215717,145.9656526152576,169.64965729769358,332.22918387961266,451.9702094634892,529.1922756290392,620.1770203778024,624.0016864754934,739.9341384130424,922.9631651746439,924.8895271005885,843.7605138996755,916.1689640021892,9.165592106800489,15.724652348344625,21.211404527660033,26.555392088093022,31.496484164566702,37.57637393467149,45.84742203159694,52.57043383986198,59.017790726700845,66.86886598154652,2.4170557117037546,3.4585960331072916,4.167225316501694,5.035763899702648,5.256359230980109,6.225579631812681,7.78009218237553,8.167237453738482,7.883084725578356,8.537884614630414,175.53782712984673,324.52201879832654,458.3264172716282,571.6499634291017,710.6762012626871,851.8198476236745,1024.6218108820538,1197.3879239460653,1407.0612659206124,1628.0869105349534,2.9006817185229923,4.318852605456006,5.498846457808939,6.9876388900547,7.606270500050538,8.905965818927978,11.372387435631214,12.91589552436349,13.379250636961428,14.352830436248137,0.4973697192069185,0.7190595095724768,0.8717037906858779,1.058392797361293,1.1131205649915752,1.31841520619288,1.6470322093545917,1.7424302250088683,1.6996552851666844,1.842889591185316,479.9820812931031,488.25983775291274,17.051644339855105,153.37507316736122,-156.02017504129893,-8.180471952417555,326.60700812574186,644.2800127942116,25.23211629227266,0.7578379401145054,0.7709075903134698,0.026922636335229882,0.24216205988549425,-0.24633837944754447,-0.012916048859329966,304.0000851998111,309.24286147651287,10.799780937962515,97.14119990644544,-98.81649410258066,-5.181160437926823,0.06158844644089143,0.06416961193217048,0.6117457006559542,1.8586219869029352,633.3571544604645,0.0,1.0,0.0,1534.456447685564,39.17213866621995,11.534130357962699,1826.553716194431,42.73819973038676,12.223928929420415,3262.3191324682766,57.11671500067451,14.83117232481654,2.37236081623748,2.37236081623748,4350.978263915859,4259.713424951061,736.1177535331694,1.0214251124101963,5.910709588285734,5.78672828430719,7.294022297597397,7.8983097717813,14.877695605382035,0.8836556219327265,9.949497617255199,13.867298988780577,9.103200046097355,49.50221380286232,19.39489815142559,20.553303807694217,26.696589059702426,31.12841317444651,32.56622614015856,22.099096945807492,21.07925780097946,24.584730617128162,29.17971854903107,21.589224449332296,20.18070844459378,18.029884059818695,16.84817562736835,12.537761927520592,6.148619396804891,5.322661449644434,6.2355029905184765,5.4178027311097186,2.1652366785350474,2.852631183543021,4.337728012442239,1.495587407384309,0.4673444608615887,0.5143660764119676,0.23656040354933044,1.5184345304349142E-17,0.7582327211346421,13.096049583068012,0.6135038198307696,21.253618134975945,2.369212818841672,4.773929380680836,4.412644481017052,2.937077220709486,9.26056488458344,2.8724208653534027,3.4421897673556434,6.040131530197111,4.727738210184799,5.141545832848905,2.6190881500571206,1.9410136417357824,1.9076152123322923,3.76310140465302,0.8786141601227438,1.3164261892804308,1.8881288456595446,0.4525987678395739,0.4616692470487846,0.7460646013154016,1.2485061104074526,0.06943287195146046,0.03459143974684362,0.005001202258560144,0.0016661142646268014,1.0694458553085563E-19,2.4980107717882842,13.14763212418941,2.060479779468743,24.326559793611207,3.8878224311306693,7.1291134251103845,7.925343290905238,7.429821153016822,12.549745983001666,5.774010664577516,5.888324529774904,8.406402668887363,8.336172195259222,7.371932905209686,5.088549537562758,4.18718829499927,3.849892160640177,5.100715512619975,1.3371781036476114,1.9067546218643678,2.65485571024635,1.1577423089253431,0.7081847112625607,1.153828944530174,1.8227931702882545,0.24951870705249046,0.11471592164725933,0.04129314137306595,0.017362195218261448,1.1144450359403673E-18,9.338577061138812,13.782638877842944,8.482306569272914,46.82009044183585,17.66038376012041,19.281037805617366,24.96590445048537,28.95620902625742,30.62014005414732,20.56015551823514,19.591293894902588,22.94742115318344,27.193619464718562,20.183637153822623,18.711063766210415,16.677757896618314,15.541760266810304,11.840156880525017,5.607663934480058,4.996945541172952,5.92667262272178,5.004748792598788,2.025137583415832,2.7158041638943473,4.1286948811053605,1.369003091534417,0.43794733385200835,0.45924007882780987,0.21077106063718304,1.3528978294169624E-17,3.732800503422569,13.214469761817904,3.138688491581806,27.235704426287928,5.511283790971007,9.002924421661598,10.644289771248923,10.888576462771939,15.243545643126195,8.06960642720699,7.910155998339583,10.452126928023837,11.223812092266758,9.237633973907391,7.114895120227,6.037292791776301,5.512017334728598,6.153593611554293,1.835214408595208,2.3795251384767764,3.2170175670653225,1.7333598422349334,0.9074638559014804,1.4403471694940524,2.233736599510673,0.40610692803662674,0.1721564773609554,0.08630209922469612,0.037713008065660115,2.4207235375943723E-18,12.26623197697986,14.223273003487648,11.51694911200874,60.51470199449723,26.60298139355807,25.61167193895937,33.5206428450492,39.677905184308244,40.36136741811609,28.20801247506336,27.05203886049816,31.216959329623606,37.08876118083878,27.246143881218217,26.07010590698664,23.453100602657777,22.130063371205537,15.302831796939055,8.399430758038484,6.61999379769917,7.4274309890982835,7.071016449653295,2.724617769784839,3.3681696259947236,5.134293531472481,2.0088672794870543,0.5794864016878847,0.7456583624126343,0.34500111625789476,2.214494057773856E-17,5.533638769898057,11.047789598902964,4.743410218992571,29.16166948024968,8.23202661342712,11.63039901982727,15.041686535027535,15.653754957989635,17.821350200101577,11.871278772363437,11.19182559787587,13.601497864274414,15.537848103719982,12.734249004815565,10.574199246109657,9.123419129068276,8.589908317089142,7.871683964320546,2.7668674919346197,2.9333654763165837,4.282259071025319,2.528243938847313,1.2457762779186203,2.018181801318118,3.3230864872796246,0.715451301259589,0.2855415966627862,0.17381105600589686,0.07724421340386299,4.9581535687670665E-18,15.159227379112812,2.1912569347857804,1.8439502692830285,0.7897720202915224,0.11416105670055969,0.43765586190388733,0.37388782596391357,0.3968643206682686,19.194434583181618,65.21119234327969,145.65752833349154,0.6846580304372833,1.2084080085360696,14.498390542963538,1.4766564898380012,1.1426671252700178,0.846981694464566,0.08626481761536542,0.4007358491978209,0.17709310220564192,0.16309938395144843,17.117714158071557,39.66330355649768,81.24454101522622,0.7704725416968489,0.7409283353549112,14.728930983864382,1.7348295971257375,1.3961769096341472,0.8246910713767317,0.09713525582250508,0.41313137609062306,0.24255235319544036,0.23918028349115159,17.859937490624265,48.538507773753516,102.07381651729241,0.7370366070650974,0.8948640127772151,15.139238898201064,2.170691505224842,1.82387810391144,0.7912297696716019,0.11344795806817212,0.43647621959945315,0.36763189541807684,0.3893364826278486,19.133808507337346,64.43382031493398,143.50503690170171,0.6868446545074027,1.1934445976453785,14.844077148719187,1.8599814879302334,1.519225803685146,0.814566506785352,0.10206620513552635,0.419515966810841,0.2768510463951369,0.28000139566205007,18.223284440334567,52.98694560909341,113.15561194177603,0.7218497601780282,0.976368408868028,15.223284014620337,2.256791916480847,1.9077972445617224,0.7851961830310368,0.11640224257881672,0.4414629309479459,0.3940178453523283,0.42101741676070403,19.387873175662904,67.7042250025718,152.635968812908,0.677794274546555,1.2564981930609784,15.184680768294342,2.17462273832857,1.8295824845664368,0.7913268532246451,0.11332720092907199,0.4390876804928462,0.3688494415874638,0.39166569878879853,19.18888599118935,64.78122971298342,144.3846712406293,0.6869902798369677,1.1996028208691085 +UMLCN0083,L,sec-butylbenzene,CCC(C)C1=CC=CC=C1,Aromatics,,C10H14,NREL (2014),"20% Blend, CFR",PubChem,,6,0,1.1045000000000007,1.2199202500000015,47.0813,26.93510199999998,6,6,24,10,14,0,10,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1456.8661059999984,1612.1404419999994,2016.7449239999983,1941.1447549999975,1412.5166229999977,890.996068,343.1435290000004,59.605056,3.0481920000000002,4670.341439526318,5841.481646680558,7938.731208530393,8337.567344081097,7102.446202565847,5162.672521801156,2672.9898026329274,800.8676542223069,93.25123329279079,169.46365600000004,175.052008,301.22097599999995,383.0163319999999,381.32479600000005,355.509904,228.51888400000016,102.37363199999997,20.155392,34.11358066788599,43.478620340000006,62.190609463943034,68.52633425273498,61.824911492735076,48.106760251527085,27.05048403243298,9.344919193339004,1.3338387145469999,3856.7906892394867,3411.6592288806,6337.774434646444,8455.934033314938,8561.246799806537,8435.22456602733,5567.232656195734,2646.5843631183393,554.7529560727469,48.80555555555556,58.888888888888886,86.16666666666666,101.83333333333331,99.99999999999999,84.33333333333333,50.5,19.0,3.0,60.7027544166666,67.17251841666665,48.01773628571424,35.94712509259255,26.1577152407407,17.470511137254903,10.39828875757577,3.9736704,1.016064,194.59755998026324,243.3950686116899,189.0174097269141,154.39939526076105,131.52678152899716,101.22887297649326,80.9996909888766,53.39117694815379,31.083744430930263,7.060985666666668,7.293833666666667,7.1719279999999985,7.092895037037035,7.061570296296297,6.970782431372549,6.924814666666672,6.824908799999998,6.718464,1.4213991944952495,1.8116091808333337,1.4807287967605485,1.2690061898654628,1.144905768383983,0.9432698088534722,0.8197116373464539,0.6229946128892669,0.44461290484899996,160.6996120516453,142.152467870025,150.89939130110582,156.59137098731367,158.54160740382474,165.39656011818292,168.70401988471923,176.4389575412226,184.91765202424895,2.033564814814815,2.4537037037037037,2.0515873015873014,1.8858024691358022,1.8518518518518516,1.65359477124183,1.5303030303030303,1.2666666666666666,1.0,0.055581834458826807,-0.004504739979357533,-0.015137877521446798,-0.002509592655656801,-0.015954421731894937,-0.0011296924912931224,-7.580345326020661E-4,0.007943011923891536,0.004260429758946313,706.2183858333335,-6.394884621840902E-14,-35.310919291666664,-55.48858745833343,-337.97594179166646,-58.010795979166744,-42.8775448541667,113.49938343750006,63.055213020833335,1313.2432450621316,2.1316282072803006E-13,-65.66216225310637,-103.18339782631028,-628.4806958511639,-107.87355227296098,-79.73262559305817,211.0569500992712,117.25386116626177,0.13834333333333312,2.237793284010081E-15,-0.006917166666664734,-0.010869833333332517,-0.06620716666666646,-0.011363916666668326,-0.008399416666668338,0.022233749999998626,0.01235208333333292,5.870808328285838,1.3600232051658168E-14,-0.2935404164142801,-0.46127779722245466,-2.8096011285367894,-0.4822449698234901,-0.3564419342173655,0.943522767045929,0.5241793150255184,31.890324015952487,-1.0791367799356522E-13,-1.5945162007977167,-2.5056683155391593,-15.261797921920108,-2.6195623298817257,-1.9361982438256025,5.125230645420996,2.8473503585672035,4.795138888888887,-0.468750000000001,0.23350694444444398,0.6657986111111102,-2.2960069444444464,-0.6688368055555559,-0.7044270833333327,0.4648437500000001,0.3763020833333335,0.0023159097691177835,-1.876974991398972E-4,-3.604256552725428E-4,-4.647393806771854E-5,-2.954522542943507E-4,-2.2150833162610243E-5,-2.297074341218382E-5,5.295341282594357E-4,0.0014201432529821045,29.425766076388896,-2.6645352591003757E-15,-0.8407361736111111,-1.027566434413582,-6.258813736882712,-1.1374665878267989,-1.2993195410353546,7.566625562500004,21.01840434027778,54.71846854425548,8.881784197001252E-15,-1.5633848155501517,-1.9108036634501904,-11.638531404651182,-2.1151676916266857,-2.4161401694866114,14.070463339951413,39.084620388753926,0.005764305555555547,9.324138683375338E-17,-1.6469444444439842E-4,-2.012932098765281E-4,-0.0012260586419753047,-2.2282189542486915E-4,-2.545277777778284E-4,0.0014822499999999083,0.004117361111110974,0.24461701367857658,5.66676335485757E-16,-0.0069890575336733355,-0.008542181430045457,-0.052029650528459065,-0.009455783722029217,-0.01080127073385956,0.06290151780306193,0.17472643834183946,1.328763500664687,-4.496403249731884E-15,-0.037964671447564685,-0.04640126510257702,-0.28262588744296496,-0.051363967252582854,-0.05867267405532128,0.3416820430280664,0.9491167861890678,0.1997974537037036,-0.01953125000000004,0.005559689153439142,0.012329603909465003,-0.0425186471193416,-0.013114447167755998,-0.021346275252525235,0.03098958333333334,0.12543402777777782,-0.08104698276366708,-0.15563026680864273,-0.02006724902992322,-0.12757502828225448,-0.009564635659811704,-0.009918669422485418,0.22865058704819707,0.6132118236726857,-9.055109227006284E-17,-0.028571428571428564,-0.03492063492063497,-0.2126984126984125,-0.03865546218487399,-0.044155844155844184,0.25714285714285723,0.7142857142857142,1.623178505044928E-16,-0.028571428571428484,-0.0349206349206349,-0.212698412698413,-0.038655462184874013,-0.04415584415584426,0.25714285714285723,0.7142857142857145,1.6175649596487614E-14,-0.02857142857142063,-0.03492063492063235,-0.21269841269841233,-0.038655462184879655,-0.044155844155853004,0.25714285714284163,0.7142857142856915,2.316585943733096E-15,-0.028571428571427422,-0.034920634920634616,-0.21269841269841236,-0.03865546218487479,-0.044155844155845524,0.2571428571428546,0.7142857142857104,-3.383900331008979E-15,-0.02857142857143023,-0.03492063492063541,-0.21269841269841255,-0.03865546218487268,-0.044155844155842235,0.25714285714286017,0.7142857142857185,-0.09775524981897202,0.027826626668045886,0.06171051572934261,-0.21280875372113633,-0.06563871022703077,-0.10683957606477516,0.1551049963794353,0.6278059377262858,1.1732009214772567,1.0496729076972902,0.9450068452397997,1.097084388361494,0.9382679772187916,1.0198586787652089,0.7362881015571102,0.3108881286742857,1.1500000000000001,1.0795918367346942,1.0222222222222228,1.168253968253969,0.9277310924369753,0.8961038961038963,0.5257142857142856,0.0,1.1500000000000006,1.079591836734694,1.0222222222222221,1.168253968253968,0.9277310924369748,0.8961038961038964,0.525714285714286,0.0,1.1500000000000001,1.079591836734694,1.0222222222222221,1.168253968253968,0.9277310924369748,0.8961038961038963,0.5257142857142859,0.0,1.1499999999999995,1.079591836734693,1.0222222222222217,1.1682539682539674,0.9277310924369743,0.8961038961038955,0.5257142857142852,0.0,1.1499999999999992,1.0795918367346935,1.0222222222222217,1.1682539682539674,0.9277310924369744,0.8961038961038956,0.5257142857142855,0.0,1.2657494569152792,0.9041067549394852,0.8450666452114682,1.2188698473998987,1.028013232809417,1.035613192021592,0.6395365677045622,0.0,41.62847744403672,20.814238722018345,31.175385221306012,41.628477444036704,4.1628477444036704,20.814238726328963,-2.4868995751603507E-14,0.2504271861683255,0.02504271861683255,-1.3845870746898274,45.49304776391166,4.549304776391166,3.8175595178848,41.62847744403672,20.814238722018345,31.175385221306012,41.628477444036704,4.1628477444036704,20.814238726328963,-2.4868995751603507E-14,0.2504271861683255,0.02504271861683255,-1.3845870746898274,45.49304776391166,4.549304776391166,3.8175595178848,41.62847744403672,20.814238722018345,31.175385221306012,41.628477444036704,4.1628477444036704,20.814238726328963,-2.4868995751603507E-14,0.2504271861683255,0.02504271861683255,-1.3845870746898274,45.49304776391166,4.549304776391166,3.8175595178848,41.62847744403672,20.814238722018345,31.175385221306012,41.628477444036704,4.1628477444036704,20.814238726328963,-2.4868995751603507E-14,0.2504271861683255,0.02504271861683255,-1.3845870746898274,45.49304776391166,4.549304776391166,3.8175595178848,41.62847744403672,20.814238722018345,31.175385221306012,41.628477444036704,4.1628477444036704,20.814238726328963,-2.4868995751603507E-14,0.2504271861683255,0.02504271861683255,-1.3845870746898274,45.49304776391166,4.549304776391166,3.8175595178848,41.62847744403672,20.814238722018345,31.175385221306012,41.628477444036704,4.1628477444036704,20.814238726328963,-2.4868995751603507E-14,0.2504271861683255,0.02504271861683255,-1.3845870746898274,45.49304776391166,4.549304776391166,3.8175595178848,53.470185824415125,26.369747113936157,40.81587770254613,53.38785249108179,5.338785249108179,26.369747113952567,-0.20583333333334508,0.409618659980275,0.0409618659980275,-0.8925286497020407,40.771294698817215,4.077129469881721,3.707978272491214,0,11.850000000000001,12.150111800703517,-0.20991260742618872,0.0902238173587561,5.601666107680983,9.072760389065445,10.0,24.0,21.0,18.0,4.0,3.0,0.0,0.0,0.0,6.0,15.304897999999996,3.8005533882697256,3.300106494600518,2.740218448612302,2.619181913839711,2.4443980389644553,1.8047390589833394,1.1637091562473925,0.9414285011440531,2.001824672738832,1.7329600056059402,1.4281617599320635,1.0822503020169492,1.0139292759077814,0.8324487241185627,0.43395069553946597,0.31051397192943425,3.8124846708865467,3.3283943468068684,2.7854341215186675,2.6458150318986813,2.4843347876281014,1.8881109272661294,1.2677096414121114,1.0533366226901524,1.9681230939965808,1.6693383206974803,1.331598489134899,1.0071675921888024,0.9276311791405756,0.7101140698361577,0.2831719211021875,0.15015625861415743,3.8671155037951226,3.455364419878984,2.9924194059645366,2.7718202154797886,2.6521407425944883,2.2318700415664097,1.6956603179739378,1.517793786895386,1.8785215773938426,1.481081079131642,1.034252875292941,0.7986202314843529,0.6849401096835142,0.29558742162934254,0.2256064287750797,0.3968430827144216,3.821379157281165,3.349394458511764,2.81937924414219,2.6659250192640322,2.5131964075773925,1.948416887192253,1.3430187120516146,1.1348113653661853,1.9476076483441613,1.628606967854569,1.2687672799616116,0.9602789912487911,0.8739190063507775,0.627461672599873,0.18181300164857686,0.04190290236346237,3.8952827097574136,3.5182326707458516,3.094272603998558,2.838078587645887,2.7321684337473964,2.3843788283697847,1.8837601830644135,1.7214642273785612,1.8528982057499386,1.4228668628326693,0.9393328235329526,0.7385642758080625,0.6103666488696143,0.14859103824239078,0.40757424293414524,0.5943111067077894,3.8477629487011304,3.3208381220131713,2.870322016012034,2.7569966316527785,2.577474451008806,1.9859556015675746,1.3745625987437673,1.2553366160014476,1.9477325169971866,1.6092471321504307,1.1931062675704278,0.8584598657714149,0.8025013850009568,0.5570144466406592,0.11358912627038942,0.0893698613604304,0,0,0,5,1,2,1,1,0,0.0,0.0,0.0,0.10206207261596577,0.05892556509887897,0.0,0.0,0.0,0.032075014954979206,0.018518518518518517,0.4023689270621825,0.0,0.11785113019775793,0.0,0.30034919009686917,0.0,0.06804138174397717,0.0,1.0892556509887896,1.3392556509887898,1.373773447853214,0.7152039433474734,0.7257299817353348,0.6234114307741312,7.397341225498538,4.842535255101096,3.7836222710118665,3.0985183192448034,2.0365357192413676,1.4171102898201595,0.5690355937288492,0.3190355937288492,0.7397341225498538,0.4842535255101096,0.3153018559176555,0.22132273708891453,0.14546683708866912,0.10122216355858282,0.07112944921610614,0.0531725989548082,6.671208396324304,3.892064077957809,2.7199794632774297,1.9809805208364915,1.017274032412193,0.5823614143707379,0.2251154082414855,0.10858709824363469,0.6671208396324304,0.3892064077957809,0.22666495527311914,0.14149860863117797,0.07266243088658521,0.04159724388362413,0.028139426030185686,0.018097849707272448,13.792794626501124,23.214857975236704,22.078431372549026,22.319999999999997,15.589881437125744,181.42586946107787,0.5746997761042135,0.967285748968196,0.9199346405228761,0.9299999999999998,0.6495783932135727,7.559411227544911,3.2001000000000017,45.14800000000003,41.881575614006245,60.638340981953434,83.76315122801249,8.37631512280125,41.881575614006245,0.23147765952860405,0.023147765952860406,-1.4632719132287548,38.3009213100657,3.8300921310065705,3.6454739509903806,90,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,4.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,1.0,0.0,0.0,5.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.085185185185185,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9978146258503402,0.0,1.1858659297052154,0.0,0.0,1.9978146258503402,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.479166666666666,0.0,1.2262037037037037,0.0,0.0,10.636111111111113,0.7094444444444443,0.0,0.0,0.0,1.4490740740740742,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4490740740740742,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38097222222222227,0.0,0.2546159297052154,0.0,0.0,0.38097222222222227,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2199074074074074,0.0,1.2262037037037037,0.0,0.0,2.0613888888888887,0.7094444444444443,0.0,0.0,0.0,1.4490740740740742,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1886574074074074,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4210090702947846,0.0,0.35930555555555554,0.0,0.0,0.4210090702947846,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.259259259259259,0.0,1.2262037037037037,0.0,0.0,2.1886574074074074,0.7094444444444443,0.0,0.0,0.0,1.4490740740740742,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.5,1.85,0.4210090702947846,2.259259259259259,0.11631944444444445,0.7094444444444443,6.297556111111111,0.6238888888888889,0.25925925925925924,2.2305555555555556,0.6238888888888889,0.25925925925925924,2.2305555555555556,5.0,0.5,0.0,0.0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,-0.0,0.0,0.71429,0.0,0.0,0.2,0.2,0.0,11.0,1.1,5.0,0.5,6.0,0.6,1.0,0.1,0.0,0.0,6.80028,0.68003,11.56742,4.76714,0.47671,2.88621,0.28862,4.84252,1.95631,0.19563,0.07148,0.00715,0.15748,0.01575,0.25,10.0,0,0,0,0,0,0,0.4,0.9798687566511528,2.345437252310555,3.0901998765158556,3.740601562950723,3.938721875540868,3.8553885422075345,23.516850159627666,56.29049405545332,74.16479703638053,89.77443751081736,94.52932501298083,92.52932501298082,0.21371358140814276,0.511549931311684,0.6739858561612676,0.8158412554873401,0.8590521459927658,0.8408767883273048,3.605093744070004,2.239525248410602,1.4947626242053014,0.8443609377704338,0.646240625180289,0.7295739585136225,0.20607611772209405,0.4932687158725382,0.6498996821922323,0.7866856074405026,0.8283522741071694,0.8108264476190733,6.772325919164824,17.129938330108622,21.020055580416006,23.8533198215658,24.052990431941815,23.052990431941815,37.92632203826385,28.300728478866205,22.21202698701638,17.515915106600573,16.96403541919071,18.256516669551292,8.1,4.0,2.2857142857142856,4,6,4,2.56,1.2799999999999994,0.33333333333333337,3.4221583518401983,2.1491398636470835,0.0,6.945629181536277,6.0855537349701585,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.15099999999999997,0.14400000000000002,0.514,0.649,4.688999999999999,12.0,14.0,14.0,14.0,8.0,6.0,2.0,0.0,0.0,90.0,2.6390573296152584,3.068052935133617,3.518980417318539,3.914519885626733,4.31331274212583,3.7655511015278886,3.7256934272366524,2.7842393394597567,0.0,0.0,5.696883732965045,3.2993055555555557,0.5,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.2,4.0,0.4,0,3.0,6.0,1.0,1.5,1.1111111111111116,0.4375,0.19111111111111112,0.1527777777777778,0.04,0.0,0.0,0.0,0.0,0.15,0.09259259259259263,0.03977272727272727,0.027301587301587302,0.03819444444444445,0.04,0.0,0.0,0.0,0.0,0.38786135161135166,24.96027686557816,37.10029833365092,49.92055373115632,4.992055373115632,24.96027686564311,0.05470023097013496,0.005470023097013496,-2.9058873470743602,107.3580668668311,10.735806686683109,4.676169666977347,0.0,150.3504701562669,4.321928094887363,3.8066624897703196,4.574710978503383,5.3612921657094255,6.150602768446279,6.9440872082295275,7.737616282857904,8.532475814947395,9.326967183907902,10.122020491292654,82.55643538366479,3.044522437723423,0.0,4.23410650459726,0.0,5.652489180268651,0.0,7.158513997329321,0.0,8.703008637464448,8.947285869349132,134.109550448,5.587897935333333,19.52724104193718,1.952724104193718,0.0,0.0,0.0,121.0,11.0,4.011,44.0,1.2365126558733759,2.164930193002268,2.965069029334662,3.72267812679776,4.377382854628675,5.526216697877361,6.674735983930102,7.865256659300101,0.0,0.0,92.91185031219806,113.62317695515256,113.7825863009498,109.91918287134641,89.83009647900212,62.797888392844335,27.371276444020722,7.991604142275098,0.0,0.0,323.9803594205811,435.04851496465494,479.98169462795374,521.5386141926521,490.6483873569421,470.16758804656905,362.76853052398656,244.48162788135664,0.0,0.0,9.050443238815687,15.578129297333614,21.08772308332222,26.34447510038501,30.659358205002235,38.348596063659,45.584986753037725,52.842443716268,0.0,0.0,2.364973853457758,3.357973835017302,3.902985891646358,4.444923356378132,4.447755108402583,4.689780192718924,4.209474429695903,3.4969946106743586,0.0,0.0,173.8105839307111,323.09538772302926,460.1231938910055,586.3675212522256,712.9773202608592,926.0664687869186,1175.2522448210952,1454.424794005863,0.0,0.0,3.114146792552011,4.5787964159334065,5.731753280981304,7.060622534080705,7.63720683323571,8.676222211011366,8.53113062352738,7.865256659300101,0.0,0.0,0.4869614939287739,0.6992312762815777,0.82090010702218,0.9423702070361236,0.9535026745495736,1.020891038327195,0.938932867163028,0.8054022819123303,0.0,0.0,278.7156861414853,149.7492450959481,10.981420456828134,79.87957470680695,-42.91795046245612,-4.77666007326373,198.83611143467837,192.66719555840422,15.758080530091863,0.777243083141021,0.41759962120442307,0.03062344000545492,0.22275691685897908,-0.11968354060488558,-0.013320477415022363,99.94612417441668,53.699369607016365,3.9378853332010575,28.644436928438086,-15.390173641158537,-1.71288766495563,0.11546520286935309,0.12048862005077073,1.4380859834844206,0.9548795634329669,358.59526084829224,0.0,1.0,0.0,726.8842238448302,26.960790489984344,8.991284665293113,863.564290457885,29.38646440893979,9.522805010692908,1267.3679136671972,35.60011114683769,10.821834865652649,2.0654626573702615,2.0654626573702615,710.0231552566906,603.0350707231273,163.69597854723105,1.1774160239225704,4.337450202246894,3.68387223727145,4.3954049593760685,4.443439900639552,7.963231373116322,0.7921321208755767,4.313020201724567,4.901461064491002,4.567414572042297,16.895635002909685,5.1631842633378024,8.070454164044309,5.380535606566894,8.837713579246197,5.556137654648365,4.514281355693865,4.8655497019374145,3.022609563741676,1.7328120759624344,1.2715914761697136,1.7181417541120616,4.994004318472114E-13,2.926165982772149E-47,3.4364621095254113E-103,8.028906669003418E-181,3.7040493977200253E-280,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.36207141747496796,4.719493147603638,0.3556619989540871,6.191825066109737,1.5458662390383957,1.4059645606775233,1.139685741619518,1.6100041999081969,0.8706350212762589,0.3136465072918781,1.1859527104635574,0.3281599199672446,0.08269984306031655,0.06848812673779876,0.01210101285856708,3.517318075118657E-15,2.0609226275460418E-49,2.4203283620691993E-105,5.6548246155634835E-183,2.6087922770797597E-282,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1685441375687462,4.731653019218394,1.1656981236283177,7.3814659056587235,1.8884668462376277,2.336716091369734,1.9236700422952757,2.757506624293768,1.3375578479558452,1.0144385006542223,1.921144012456505,0.6718805147214748,0.308295191052457,0.24627736555845667,0.12610188391618257,3.6653166209226724E-14,2.147640275872776E-48,2.5221687615736913E-104,5.8927632386867034E-182,2.7185626916589203E-281,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.071145892351684,4.881482727834475,4.292001659537553,15.888274265658113,4.801723933902367,7.510476080660569,5.0920239513143395,8.279264004294102,5.096129847357618,4.201704933505375,4.634665032692788,2.7846843716007235,1.5924446983192597,1.173956564136132,1.5308333702758228,4.4495679379898447E-13,2.60716120929646E-47,3.06182587109563E-103,7.153611293319898E-181,3.3002413273579254E-280,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7221624240833246,4.747418555589574,1.7365112827169693,8.493622910020074,2.241164060755314,3.103208795298403,2.4860982909110394,3.64256973141514,1.8034248954808836,1.542022011017324,2.4305487212710295,0.9690809542770311,0.49618514291225807,0.38845230044813883,0.2739101424354282,7.9615574845435E-14,4.6649616611232175E-48,5.478487579044123E-104,1.2799869184506858E-181,5.905081438647815E-281,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.208571964002922,4.985467182191188,5.6070968059550506,21.025200113742148,6.660480816728324,10.316366019399414,6.481566677917391,11.037081199758484,7.455955017941028,5.734532504631464,5.7267954979097615,3.986394724374278,2.29720677673982,1.66031912765228,2.5057482747079645,7.283285954110823E-13,4.267538080191648E-47,5.011757022628661E-103,1.1709405807464327E-180,5.402007934186281E-280,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3846362308923306,3.782398704280176,2.3694213752936544,9.037798895823887,2.6480921051566004,4.088264449919451,3.3817109324072585,4.583255669973474,2.3778426493727447,2.193597684106749,3.185136178955322,1.445956729841114,0.7742198048130344,0.597792221685358,0.5020136608070502,1.4591685371722754E-13,8.549791038048642E-48,1.004079506070244E-103,2.3459186761149496E-181,1.0822642506121327E-280,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.384201833332963,1.7563028757389108,0.5098110448829563,0.7037881842392715,0.22957259964479118,0.5235602751440043,0.5182979706273437,0.3200560834787345,7.650315753954829,13.096597330164998,25.567833743249263,0.5556822763589072,1.3619143292500826,4.477368459261589,1.0106117895865303,0.21174749199787302,0.7855407596358327,0.17730878307470324,0.3625714043326772,0.17274826833865992,0.055819327058480285,5.699727740845992,5.686947405080092,12.344807423641777,0.678311139453749,0.5911389997298174,4.799340808302367,1.2755207230192669,0.3176742026565914,0.7507726210731128,0.1995328264243398,0.4163556737606493,0.2745057669239199,0.12502519115131708,6.392535733978225,8.051485451033509,16.388714218071065,0.6261589316096692,0.8158866318358863,5.357464391098776,1.7343354803360747,0.5010338255527736,0.7055948549517544,0.22841741957606077,0.5183917528618535,0.5055072370664866,0.3091997703890829,7.592833696987624,12.844872197759383,25.093132119263707,0.5583922824276316,1.3330987603174231,4.957820470962424,1.405852637794533,0.36976915880809225,0.7362980588463964,0.20878661788881991,0.44419352543453194,0.33308767862912164,0.16906841445466783,6.733442267565049,9.323055039168995,18.63377539683021,0.6044470882695947,0.9463496185183214,5.469619518843456,1.8264741675624316,0.5378477947087786,0.6981950952823816,0.23314881429297432,0.540243902601935,0.5602102761933373,0.3559802727103803,7.833941481114667,13.914306656784879,27.121411480533517,0.5472926429235724,1.4564344515056526,5.370334281692597,1.7367488747169781,0.5003944138235676,0.7059283753534635,0.2282949714518518,0.5209124399015975,0.5070227240540172,0.30826259300655123,7.607477570233143,12.883266730630549,25.157883978131764,0.5588925630301953,1.336197756962166 +UMLCN0084,L,2-methyl-2-(beta-naphthyl)hexane,C(CCCC)(C2=CC1=CC=CC=C1C=C2)(C)C,Aromatics,,C17H22,NREL (2014),Unknown,UML,,10,0,2.2041,4.85805681,78.1447,44.58944599999998,10,11,39,17,22,0,17,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2474.8434649999977,2863.110114000002,4042.5438730000023,4290.782017000008,3648.2860040000055,3111.610169000001,2509.2377650000008,1828.297808999996,1098.8438209999972,7883.629707219067,10147.509791639352,14976.709049872572,17457.943843868503,16473.54981673124,14325.78828630323,12112.895385333288,9541.616953155943,6253.1237386958655,275.99498000000017,292.31719200000003,518.2515880000005,700.9150120000011,819.7329440000017,766.6450280000022,642.0253000000013,581.3968680000005,418.7939719999998,57.19278390667803,74.69817481999996,114.03190570818786,138.97046933728205,138.59672317456398,122.43118890880869,104.38207683577178,85.42764257001684,57.7972205160741,6223.692398063479,5650.994459303801,10748.159896492494,14920.116762895974,18380.275457446933,17546.377719882094,14482.148271493972,13521.456177839122,9882.384616754576,78.64583333333334,96.23611111111111,149.23611111111111,197.2361111111111,210.66666666666669,186.83333333333337,163.33333333333337,140.75,96.66666666666666,63.45752474358968,71.57775285000005,56.14644268055559,43.78348996938784,31.45074141379315,28.54688228440368,27.574041373626383,22.027684445783084,18.314063683333288,202.14435146715556,253.6877447909838,208.00984791489682,178.14228412110717,142.01336048906242,131.42925033305715,133.108740498168,114.9592403994692,104.21872897826442,7.076794358974364,7.307929800000001,7.197938722222229,7.152194000000011,7.066663310344842,7.033440623853231,7.055223076923091,7.004781542168681,6.97989953333333,1.46648163863277,1.867454370499999,1.5837764681692759,1.4180660136457353,1.1947993377117585,1.1232219165945752,1.1470557894040856,1.0292487056628534,0.963287008601235,159.58185636060202,141.274861482595,149.27999856239575,152.24608941730585,158.45065049523217,160.9759423842394,159.14448649993375,162.90911057637496,164.70641027924293,2.0165598290598292,2.405902777777778,2.072723765432099,2.012613378684807,1.8160919540229887,1.7140672782874622,1.7948717948717954,1.6957831325301205,1.611111111111111,0.07910514755443221,-0.01219271895294884,-0.004488065181188487,-0.00677853462776977,-0.03417197996066946,0.014432971377425765,6.322765437643007E-4,-0.012462591985165606,0.003478038004916921,1160.9919837435884,38.52462087836818,197.23969119132036,-260.12078725312386,-187.52893964760057,79.83511310124948,-343.5377349401713,-114.69830306969072,-72.59184760552193,2158.914169904339,71.63817758355276,366.7756282067019,-483.7057114525845,-348.718071047213,148.45680189318793,-638.8230877078811,-213.28639235103302,-134.98764040537228,0.22743035897435876,0.007546708744249345,0.03863790138067262,-0.05095587639710522,-0.036735631821170234,0.015639150558842015,-0.0672966837606839,-0.022468610124918936,-0.01422024457593804,9.651350834192968,0.3202559854483532,1.6396577106218597,-2.162389587696582,-1.5589320283394132,0.6636709781088346,-2.855836432221097,-0.9534894112211866,-0.6034575593571999,52.42629090974158,1.7396355957977472,8.906646707413353,-11.746134560060536,-8.468143520043252,3.605071286334481,-15.512948825342356,-5.179369614762962,-3.2779910400163885,7.298076923076933,-1.0097797501643668,3.1158366206443118,0.8455374753451654,-2.050049309664688,0.7603961209730441,-2.130341880341877,-1.9281722550953266,-1.1861439842209065,0.002028337116780313,-3.0481797382372097E-4,-6.233423862761787E-5,-6.916872069152826E-5,-2.9458603414370224E-4,1.3241258144427306E-4,6.948093887519788E-6,-1.5015171066464584E-4,5.7967300081948686E-5,29.769025224194575,0.9631155219592046,2.739440155435005,-2.654293747480856,-1.616628790065522,0.7324322302866925,-3.7751399443974867,-1.3819072658998883,-1.209864126758699,55.35677358729074,1.790954439588819,5.094105947315304,-4.935772565842699,-3.006190267648388,1.3619890081943846,-7.020033930855836,-2.5697155704943735,-2.2497940067562046,0.005831547666009199,1.8866771860623363E-4,5.366375191760086E-4,-5.19957922419441E-4,-3.1668648121698477E-4,1.4347844549396344E-4,-7.395239973701528E-4,-2.707061460833607E-4,-2.37004076265634E-4,0.2474705342100761,0.00800639963620883,0.02277302375863694,-0.02206519987445492,-0.013439069209822529,0.006088724569805822,-0.031382817936495576,-0.011487824231580561,-0.010057625989286665,1.3442638694805533,0.04349088989494368,0.12370342649185212,-0.11985851591898507,-0.07300123724175217,0.03307404849848148,-0.17047196511365226,-0.06240204355136098,-0.054633184000273144,0.18713017751479316,-0.02524449375410917,0.04327550862005988,0.008627933421889443,-0.017672838876419725,0.00697611120158756,-0.023410350333427223,-0.0232309910252449,-0.019769066403681774,-0.150279739645831,-0.030731695491804788,-0.034101195565224104,-0.14523524305038318,0.06528134812937732,0.003425512371705185,-0.0740269994679137,0.02857873062736398,0.03235294117646952,0.09202317290552542,-0.08916293790243413,-0.054305734833118346,0.024603836530442156,-0.12681436210848002,-0.04642097802976607,-0.04064171122994615,0.032352941176470605,0.09202317290552589,-0.08916293790243393,-0.054305734833118485,0.02460383653044189,-0.12681436210848013,-0.04642097802976635,-0.04064171122994659,0.03235294117647979,0.09202317290553072,-0.08916293790243038,-0.05430573483311818,0.02460383653044072,-0.12681436210848016,-0.04642097802976849,-0.04064171122994987,0.03235294117647255,0.0920231729055269,-0.08916293790243293,-0.054305734833118326,0.02460383653044182,-0.12681436210848,-0.04642097802976666,-0.040641711229947135,0.032352941176459135,0.09202317290551984,-0.08916293790243761,-0.05430573483311807,0.02460383653044388,-0.12681436210847916,-0.04642097802976301,-0.04064171122994204,-0.13490338164251206,0.23125884448348175,0.04610658492646051,-0.09444141565580805,0.0372794559072979,-0.12510195118890735,-0.12414347773174332,-0.10564339042599889,1.245311890622901,0.9143954892520063,0.9880315678691292,1.0723469182022338,0.8954579748972913,0.9427146503792608,0.9956844315680992,1.0466239695073822,1.089705882352943,0.9631238859180054,1.1119447779111666,1.0248017702378778,0.9270225187656399,1.0886172650878554,0.9787062689259731,0.9576203208556168,1.0897058823529413,0.9631238859180037,1.1119447779111644,1.0248017702378756,0.9270225187656381,1.0886172650878534,0.9787062689259715,0.9576203208556152,1.0897058823529406,0.963123885918003,1.111944777911165,1.0248017702378764,0.9270225187656381,1.0886172650878534,0.9787062689259707,0.9576203208556144,1.0897058823529422,0.9631238859180041,1.1119447779111638,1.0248017702378749,0.9270225187656377,1.088617265087853,0.9787062689259713,0.9576203208556159,1.0897058823529426,0.9631238859180044,1.1119447779111649,1.024801770237876,0.9270225187656385,1.0886172650878538,0.9787062689259718,0.957620320855616,1.2872493046406073,0.6867639763171153,0.9333000218093374,1.0919300450784692,0.8707940997530137,1.1147604408473955,1.128543158139804,1.0449860928121781,106.6504148923311,53.32520744616552,79.60315857098452,106.65041489233107,6.273553817195946,53.32520744616552,-4.973799150320701E-14,0.4012533087212874,0.02360313580713455,-1.5523760095138328,118.9216046271519,6.9953885074795235,8.123389635332046,106.6504148923311,53.32520744616552,79.60315857098452,106.65041489233107,6.273553817195946,53.32520744616552,-4.973799150320701E-14,0.4012533087212874,0.02360313580713455,-1.5523760095138328,118.9216046271519,6.9953885074795235,8.123389635332046,106.6504148923311,53.32520744616552,79.60315857098452,106.65041489233107,6.273553817195946,53.32520744616552,-4.973799150320701E-14,0.4012533087212874,0.02360313580713455,-1.5523760095138328,118.9216046271519,6.9953885074795235,8.123389635332046,106.6504148923311,53.32520744616552,79.60315857098452,106.65041489233107,6.273553817195946,53.32520744616552,-4.973799150320701E-14,0.4012533087212874,0.02360313580713455,-1.5523760095138328,118.9216046271519,6.9953885074795235,8.123389635332046,106.6504148923311,53.32520744616552,79.60315857098452,106.65041489233107,6.273553817195946,53.32520744616552,-4.973799150320701E-14,0.4012533087212874,0.02360313580713455,-1.5523760095138328,118.9216046271519,6.9953885074795235,8.123389635332046,106.6504148923311,53.32520744616552,79.60315857098452,106.65041489233107,6.273553817195946,53.32520744616552,-4.973799150320701E-14,0.4012533087212874,0.02360313580713455,-1.5523760095138328,118.9216046271519,6.9953885074795235,8.123389635332046,137.98904152562505,68.42245722843023,105.14985418750273,137.81302120280463,8.106648306047333,68.42245722843023,-0.36470588235312107,0.6170976275002132,0.03629986044118901,-0.8206376650383457,131.36902174140747,7.727589514200439,8.292617548867444,0,11.850000000000009,12.15022023160325,-0.20562219963112222,0.09464122749824622,5.344743131077706,10.968805603749706,18.0,40.0,35.0,29.0,7.0,5.0,0.0,0.0,0.0,11.0,24.050553999999995,4.002681569387667,3.5839333838567944,3.274280798154244,3.0687102871513705,2.8510784284887087,2.537681373478541,2.4268592011668657,2.333552793103044,2.125782844790641,1.898015957275596,1.7069565101710127,1.4804151022690835,1.3071384762921854,1.2496297225843567,1.1944862368813742,0.8826088389126538,4.009895162440406,3.6019472742319687,3.3013597086532833,3.097528865596951,2.8705987024388997,2.592449328182758,2.450057556147026,2.4054545878412874,2.1048187298570533,1.8464515509660464,1.6402849437418578,1.4229170325067597,1.2048304538611376,1.136142880437215,1.1345406859483511,0.7774704405352482,4.042979348078575,3.6868317235588077,3.42446040712173,3.2233741300087537,2.962251763888314,2.833512537280213,2.7042369872335206,2.55501695319581,2.0499082936440245,1.7048874905245788,1.4497809676493476,1.2481266019895134,0.9818312968695903,0.8803799367082283,0.7603185604308978,0.5778086088698126,4.01527397446982,3.615520545698843,3.321531846215985,3.1187501806252405,2.8852686506563323,2.6331654331368974,2.466980796571336,2.4575399160416924,2.092153589918126,1.8144163047017798,1.5982373223297883,1.3858587694311064,1.1380822305637208,1.1000278627636708,1.0582626705327116,0.7273292632553382,4.060110085555849,3.731510273095327,3.486634389563821,3.2834600324433625,3.0108963664089052,2.9467350345048215,2.838982085149649,2.612144216130652,2.034355473794516,1.664443257512841,1.3926688794780555,1.191738990786904,0.9380537416694044,0.7732445628865697,0.6313372621875595,0.5271723888454463,4.04001175998242,3.577067195244498,3.326607463149458,3.162312949452204,2.9582889630434166,2.66328337964019,2.583237945950408,2.511827128750201,2.079292857369834,1.8526031887560819,1.5841643252400108,1.296350571715089,1.0756692792314537,1.0115099284135702,0.9247013605845539,0.6641411229882477,0,0,0,7,3,3,3,0,1,0.0,0.0,0.0,0.15137471507731048,0.24809686593468416,0.0,0.0,0.0,0.051834038994012184,0.07188092334087419,1.5281477162826895,0.20412414523193154,0.4317950458626713,0.10206207261596577,1.2071067811865472,0.17677669529663687,0.22896224130886905,0.05892556509887897,3.021589263657622,4.110445317198736,5.3128719801755535,1.8907491696173053,2.222982859448253,2.4700966367378903,12.303118619434356,8.132158382491145,7.40672690199306,5.81952236775123,4.419649861605715,3.713841146411268,2.281790283903067,1.6056476536896498,0.7237128599667269,0.4517865768050636,0.2962690760797224,0.18772652799197517,0.11944999625961393,0.07901789673215463,0.04960413660658841,0.033450992785201035,11.162772227887025,6.626044312682032,5.549366684284721,3.6862701145762786,2.3733417974307947,1.757264210049222,0.868195261185208,0.5248582447014384,0.6566336604639427,0.36811357292677954,0.22197466737138885,0.11891193917987995,0.06414437290353499,0.03738860021381323,0.01887381002576539,0.0109345467646133,22.960105841644584,37.7662053896577,35.98039215686274,36.35999999999999,25.784099401197636,293.7669736526946,0.5887206626062714,0.9683642407604538,0.9225741578682755,0.9323076923076921,0.6611307538768625,7.532486503915247,5.307600000000004,76.49900000000007,128.61938168787896,179.11692415736542,257.2387633757579,15.131691963279877,128.61938168787896,0.3630352760699518,0.021355016239408928,-1.7225339593107922,84.51971042524868,4.971747672073452,7.542874103275703,266,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,6.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,3.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,1.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.64412244373058,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.7641358951944723,0.0,1.6804761764860519,0.0,0.0,2.7641358951944723,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.968258744855967,0.0,3.845911044973545,0.0,0.0,15.489710411942557,0.0,0.0,0.0,0.0,1.462638888888889,2.6917731428991356,0.29170776643990926,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3356865971697323,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.35330073696145126,0.0,0.23819998128574968,0.0,0.0,0.35330073696145126,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2603883744855966,0.0,1.265714521919879,0.0,0.0,2.101421091584782,0.0,0.0,0.0,0.0,1.462638888888889,1.3356865971697323,0.29170776643990926,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.352175925925926,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4255266737281077,0.0,0.30702699829931973,0.0,0.0,0.4255266737281077,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3539351851851853,0.0,1.3053837553539935,0.0,0.0,2.352175925925926,0.0,0.0,0.0,0.0,1.462638888888889,1.3560865457294031,0.29170776643990926,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,30.75,1.8088235294117647,0.4255266737281077,2.3539351851851853,0.0715972222222222,0.29170776643990926,10.75848872490972,0.9582922335600907,0.3539351851851852,4.915938313597043,0.9582922335600907,0.3539351851851852,4.915938313597043,8.5,0.5,0.0,0.0,0.47436,0.7,0.43878,0.43878,0.7,0.03558,0.03558,-0.0,0.0,0.71429,0.0,0.0,0.17647,0.17647,0.05882,19.0,1.11765,9.0,0.52941,10.0,0.58824,1.0,0.05882,0.0,0.0,15.5814,0.91655,25.65428,10.07289,0.59252,4.98502,0.29324,8.13214,3.14712,0.18512,0.28186,0.01658,0.45386,0.0267,0.2564102564102564,52.0,0,0,0,0,0,0,0.4117647058823529,0.9881108365218301,2.479861120214526,3.376543963121878,4.233618885307021,4.282340283509331,4.50938523151634,38.53632262435137,96.71458368836652,131.68521456175324,165.11113652697384,167.0112710568639,175.86602402913726,0.18695092551244544,0.4691906154964964,0.6388433317471764,0.8010022151574989,0.8102203212135406,0.8531773070029558,4.297291382340418,2.8055410986477227,1.9088582557403706,1.0517833335552274,1.0030619353529175,0.7760169873459084,0.17940226552930874,0.4502457484734877,0.6130482677182872,0.7686595383219101,0.7775054378851793,0.8187279167245172,6.7357225040536,19.041243169969363,25.696491585038615,27.33673995209414,28.513245157616975,29.305768020017833,63.51273464840837,44.257879678829774,29.54014905257977,24.096700449960945,22.402205248396868,20.616643252891098,13.432098765432098,5.76,3.263267429760666,7,10,6,3.33,2.0716999999999994,0.814325284978472,6.94424032339247,2.1199359031160903,1.8898815748423097,13.201813881210706,11.941907317879577,3.439154016039785,1.6509636244473134,1.3103706971044482,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.244,0.231,0.8160000000000001,1.379,8.428,25.0,31.0,37.0,47.0,46.0,48.0,44.0,42.0,25.0,380.0,3.1986731175506815,3.7954891891721947,4.385146762010125,4.962844630259907,5.578313729455029,5.843997213054491,6.207709356731035,6.470545504809327,6.757717872825703,6.1485016821124585,8.125962618023328,8.89505550986842,0.5,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,3.0,0.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.2222222222222222,7.0,0.3888888888888889,1,5.0,10.0,1.0,4.0,2.444444444444445,1.0625,0.9955555555555561,0.5208333333333334,0.20408163265306128,0.14236111111111113,0.05316200554295791,0.025625000000000002,0.012345679012345678,0.2222222222222222,0.0977777777777778,0.0425,0.0497777777777778,0.030637254901960786,0.01569858712715856,0.015817901234567902,0.010632401108591583,0.008541666666666668,0.012345679012345678,0.505951267829069,64.34527556354762,95.59961043179241,128.69055112709523,7.570032419240896,64.34527556354762,0.12658085356948187,0.007445932562910699,-3.5136858277736267,143.10142554015152,8.41773091412656,8.438041202209806,0.0,242.8929864349337,5.08746284125034,4.465908118654584,5.293304824724492,6.1675164908883415,7.023758954738443,7.904334842085095,8.770749549138642,9.653679132512428,10.524413441579078,11.408109245600743,106.21177459992182,3.6109179126442243,0.0,4.919980925828125,0.0,6.447305862541213,0.0,8.071218539969863,0.0,9.742555598420644,9.954465797300758,226.172150704,5.79928591548718,34.133183637569815,2.007834331621754,0.0,0.0,0.0,526.0,25.0,6.703000000000001,86.0,1.251962684389322,2.1898593528577006,3.012263807916677,3.7269520694530467,4.553041650597631,5.674227546372709,6.558737890712404,7.748111449125889,8.992455140391161,10.186768186981581,99.99089820657596,134.4018051228991,142.15077619795002,135.43023049549632,151.46969361205717,176.3672654289785,163.5807023965748,157.15017366442316,174.72126433110154,145.70124023181228,341.85594410299603,485.76382551576495,564.2044539952376,579.142529641578,664.6787402332134,810.604614911652,815.9500522576301,855.181689035327,952.6781986897408,980.4138687304559,9.182464268840636,15.821162346013223,21.599893018875836,26.441426091565866,32.193450128188694,40.15210269207742,46.11275772628587,54.20574155026059,62.748491336575434,71.06149937734607,2.4695479918088816,3.645425052587319,4.434756980306318,4.750732841694324,5.53346751406965,6.841579615286784,7.151273487793686,7.767254777050911,8.71679825355179,9.425004925017065,174.80331571540222,322.8272521597417,454.7094604797514,583.1650032746727,720.4216418776327,894.5442275582446,1055.7969474140766,1266.9507042216703,1483.1875456786765,1678.6748657010446,3.08479248407989,4.702004569294093,6.222516832716056,7.033397071282378,8.211176922328589,10.503468269065586,11.542471136219264,12.788497423553224,14.707851169404803,16.99421543908398,0.5074878849689937,0.7552057479100347,0.9265951143812605,1.0009842977992363,1.1692716476876974,1.4484301678243325,1.5244202585141917,1.6660685564194408,1.8729436078427233,2.038722000936728,385.1227383155105,310.9892959481313,14.857172320349399,142.90267223139008,-115.39490402651396,-7.209675983829623,242.22006608412042,426.3841999746453,22.06684830417902,0.7293640241984204,0.5889665340651412,0.028137229806726782,0.2706359758015795,-0.21854043711077098,-0.013654032248868903,203.354592009994,164.2102506687036,7.84496451401854,75.45624217322892,-60.931441573620226,-3.8068921212717663,0.07758493642946494,0.08083637282253321,0.8547361789037666,0.7575740844124578,528.0254105469006,0.0,1.0,0.0,1286.1301711009642,35.862657055786656,10.874976040395607,1500.7311509555313,38.739271430365484,11.449002032114793,2561.9250043791653,50.615462107731126,13.683235580140042,2.1281150563656595,2.1281150563656595,2587.146802600024,2507.968385866758,389.6815626240391,1.0315707395593432,6.639130640871705,6.435943155684841,6.152370757255511,6.879345938005832,12.510969305976747,0.8186277327410281,6.707569317922264,9.416451504941064,7.159645684239135,34.48972011753385,7.421492149752204,16.918806066703016,16.599677366974205,22.24159927890078,16.401928626111285,13.852225667111277,14.666102509606535,10.588295310960016,17.656461274207192,7.386231579520659,8.824462781583227,6.70306757173625,5.4369070961324715,5.1733753878687,2.5172801840174808,4.027514182452667,3.085819021205876,3.098802602618269,1.526084729834987,1.4141211999222632,4.1096900546874545E-11,3.2969164652044294E-43,5.101390992068955E-97,1.522457519358667E-172,8.763501409817085E-270,0.0,0.5630526319706957,9.297495412816945,0.47665136345907866,15.565176683406344,2.06196001437078,2.4313065318200233,2.632492718259174,1.8710597051235889,6.707180080446413,1.1725297443168243,2.9200805293078766,1.9896357755518366,4.218615396004414,0.37932583394901315,1.292725754449928,1.4044299096563333,0.3215464723982216,2.016417022947105,0.8140998966910941,0.5091116273682286,0.5374831709594959,0.1914978728856549,0.06533387210454555,0.00995977123707792,2.894488308514322E-13,2.322045223774991E-45,3.592951387383112E-99,1.0722792793016392E-174,6.1722056979534E-272,0.0,1.817278999505287,9.30544498196013,1.62039235030176,17.97998056835341,2.457778115544651,4.538658482321825,4.789754426796393,5.005212527118574,8.155379125664808,3.0161500706368347,4.633500419717865,2.9864295290573595,6.435080429297706,1.3512730454344273,2.426163451357692,2.210961205898317,1.1167212854597153,2.552291061227903,0.9725766601048148,1.135376550719541,0.9562932457673188,0.6633566952563966,0.25224677493464637,0.10378849531432191,3.0162799836935395E-12,2.4197501538013334E-44,3.7441323636612614E-98,1.1173976821992978E-173,6.431914216828124E-271,0.0,6.331406237926948,9.403391411128908,6.672547118615009,32.81888371240768,6.846393655119516,15.73124097890678,15.49919464887002,20.63230450180898,15.620676928821226,12.812577468094943,13.704974425260698,9.793603237706876,16.647552744547504,6.795138356819715,8.220470966965658,6.281390989115762,5.035667739303537,4.941714882054708,2.3460875698063486,3.7796032462595357,2.8939540573455336,2.8778070794173725,1.3972993948139054,1.2599565299396673,3.6616598497471124E-11,2.9374932143215682E-43,4.545247530824093E-97,1.3564822401199744E-172,7.808121982077265E-270,0.0,2.6782662249533886,9.315751392722834,2.4709761912684547,20.067638267423398,2.936797938645249,6.237629241466118,6.476632265859486,7.46072983986294,9.307099912522148,4.5028176350380065,6.012860705591363,3.8958747170511345,8.112938719958633,2.1545665468534807,3.324174133295972,2.846282829328633,1.7365109878058806,2.952376137684448,1.1375370453626075,1.5925795646196883,1.273888996176903,1.0233738067529263,0.4135912746978953,0.22544248072932332,6.5517631799047474E-12,5.256020677109392E-44,8.132755809653627E-98,2.4271370798209315E-173,1.3970977153957047E-270,0.0,8.100332084938259,9.47136728369773,9.051682008638455,41.257741433298214,9.831263635023067,21.657191402541837,20.952927428271384,28.61137270425151,19.5077236559933,18.00065306938026,18.4995511574437,13.835303577051661,21.60347200434579,9.758876383244814,11.223029678658511,8.374820482509769,7.022524792037247,6.074703219600411,3.227117847243298,4.982337237704174,3.836922313397132,3.9658869161830173,2.047608290350571,2.06236286875202,5.993596709626316E-11,4.8082428151056484E-43,7.439899325183326E-97,2.220361209032323E-172,1.27807431985719E-269,0.0,3.8445239029548226,7.458545202003451,3.4952495180804997,21.985996703554704,3.5586896707703954,8.800226118198614,8.870598149701477,10.790637777016952,10.511862548918627,6.633526080457422,7.908306366665067,5.179162159858321,10.648409109793059,3.2693428487582743,4.9405858774925155,3.8184764530849558,2.5591365040911813,3.7432060789128907,1.566106802439098,2.256571351676863,1.8830388152077115,1.6216503463041128,0.683435807525133,0.4322094274863293,1.2560781818279325E-11,1.0076635425411646E-43,1.5591798497803456E-97,4.653211428061654E-173,2.6784606067151957E-270,0.0,11.976872609530673,1.771692183886291,1.2009385207119625,0.8011552195323579,0.11851177571978908,0.484033151547325,0.43613457981408743,0.31765567814154005,14.949503314128927,37.73051265462603,78.16312865859466,0.701732829298537,1.2378234095029526,10.91047531590433,1.0381008234655127,0.6867203046658249,0.8634918352908517,0.082158802372661,0.4020374804933038,0.15035406853767821,0.10299070463560843,12.635296444035667,19.5315032565913,39.94471295533056,0.7952377529362775,0.6553822536665904,11.279609629653173,1.2924215537603625,0.8656474247448509,0.8394016525149671,0.09617893026372112,0.4295193468117798,0.23263571195859098,0.16422740025666446,13.437678608158386,25.46095702110059,51.51805296596649,0.7591024787724506,0.8263824590270352,11.944217267353197,1.7492792336585465,1.1853078012567084,0.8027672805355843,0.11756853562432082,0.4814038290365793,0.4252109494073845,0.3093848372878178,14.878804302268453,37.12477945721744,76.76913379381011,0.7041509208033765,1.2159996157317816,11.465074778607123,1.4200476402640798,0.9551585176457039,0.828384541556312,0.10260251556869437,0.4436865612505092,0.28065127741168877,0.20025559200236498,13.840280936516907,28.588286814104706,57.97945809635918,0.742576812334468,0.9245934306645629,12.081710254338386,1.843625682671319,1.2510745031495765,0.796084838504907,0.12147969310271037,0.4925251767751074,0.4721241881456302,0.3449198998308201,15.176410440159282,39.695784054077045,82.73881728434357,0.6941272577573605,1.3095692647515575,11.970344211553858,1.7537143932217254,1.1863405192258973,0.8028184968090508,0.11761686448746676,0.4835190485892608,0.4274429185334009,0.30988810534234407,14.910399124001481,37.27397174669648,77.0887012563052,0.7042277452135763,1.2208500724650058 +UMLCN0085,L,2-methyl-2-(beta-naphthyl)decane,C(CCCCCCCC)(C2=CC1=CC=CC=C1C=C2)(C)C,Aromatics,,C21H30,NREL (2014),Unknown,UML,,18,0,1.0520999999999994,1.1069144099999986,89.7911,56.96378999999996,10,11,51,21,30,0,21,0,0,0,0,0.0,0.0,0.0,0.0,0.0,3060.0284609999976,3537.0233020000032,4817.378021000008,5077.808933000015,4435.312920000023,3898.6370850000053,3538.3966990000044,3100.524016000005,2551.7410930000024,9826.367269663853,12759.47032960082,18630.897496521884,21485.137223688995,20500.74319655167,18352.981666123655,16590.343592032248,15164.37416462962,12901.876017831088,359.90475599999985,379.4203120000003,689.1696200000013,952.4546120000012,1071.2725440000017,1018.1846280000021,893.6123320000021,837.3984640000019,777.192916000002,71.90528714546991,94.76212929999994,144.78266628758408,175.05658477486637,174.6828386121485,158.51730434639333,142.48104084305402,131.8912763188087,114.61219774305364,8210.21103861747,7383.152265367005,14444.968692355882,20835.937383050306,24296.096077601247,23462.198340036408,20408.902717025205,19103.93138863397,18116.911103356233,95.64583333333334,117.2361111111111,186.23611111111111,246.23611111111111,259.79166666666663,234.62500000000006,209.29166666666663,198.625,175.50000000000003,60.00055805882348,68.01967888461544,50.181021052083416,37.89409651492549,29.179690263158047,26.887152310344863,27.861391330708695,26.054823663865587,22.988658495495518,192.67386803262457,245.37442941540036,194.07184892210296,160.33684495290294,134.8733105036294,126.57228735257692,130.63262670891535,127.43171566915647,116.23311727775754,7.056955999999997,7.296544461538468,7.178850208333347,7.10787023880598,7.047845684210538,7.021962951724153,7.036317574803166,7.036961882352958,7.001737981982,1.4099075910876453,1.8223486403846143,1.5081527738290008,1.3063924236930327,1.1492292013957137,1.0932227885958161,1.121897959394126,1.1083300530992328,1.0325423220094923,160.98453016897,141.98369741090394,150.4684238787071,155.49207002276347,159.84273735263977,161.8082644140442,160.70002139389925,160.53723855994932,163.21541534555166,1.8754084967320264,2.254540598290598,1.9399594907407407,1.837582918739635,1.7091557017543857,1.6181034482758625,1.6479658792650915,1.6691176470588236,1.5810810810810814,0.09599607575932671,-0.012187472146154345,-0.012888570029870676,-0.006623690050839269,-0.03466652210256155,0.009501191279374765,0.01171152885161988,-0.014395405074965383,3.787723097027759E-5,1495.5212876470578,41.89135259515894,47.75614195848068,-169.2410644844284,-155.835831653981,85.03944576816322,-77.91791582699167,-306.2257874705899,-36.026563231836604,2780.985695425689,77.89875897550358,88.80458523207469,-314.71098626106186,-289.7833833888943,158.13448072028854,-144.89169169444537,-569.4399281109725,-66.99293271893399,0.2929623529411758,0.00820622837370152,0.009355100346019985,-0.03315316262975822,-0.030527169550173178,0.016658643598616043,-0.015263584775086492,-0.05998752941176476,-0.0070573564013838306,12.432299989311176,0.3482436971796024,0.3969978147847443,-1.4069045366055155,-1.2954665535080618,0.7069347052745455,-0.6477332767540339,-2.54566142638277,-0.29948957957445066,67.53245085731112,1.89166529011968,2.1564984307366135,-7.642327772088559,-7.03699487924918,3.8400805389455117,-3.5184974396244466,-13.828073270782594,-1.6268321495033669,8.281862745098033,-0.48101691657054996,3.3023596693579416,2.3137495194156084,-0.9593425605536365,0.056877162629755396,-0.049524221453286665,-2.60661764705883,-1.8070934256055413,0.001882275995280916,-2.34374464349122E-4,-1.3425593781115288E-4,-4.943052276745723E-5,-2.2806922435895756E-4,6.552545709913631E-5,9.221676261118015E-5,-1.2096979054592759E-4,3.4123631504754584E-7,29.323946816608977,0.8056029345222874,0.4974598120675071,-1.2629930185405105,-1.0252357345656644,0.5864789363321601,-0.613526896275525,-2.5733259451310078,-0.3245636327192487,54.529131282856646,1.4980530572212227,0.9250477628341113,-2.348589449709417,-1.9064696275585153,1.0905826256571622,-1.1408794621609872,-4.785209479924139,-0.6035399344048107,0.005744359861591682,1.5781208410964464E-4,9.744896193770818E-5,-2.474116614161061E-4,-2.0083664177745513E-4,1.1488719723183477E-4,-1.2018570689044482E-4,-5.040968858131493E-4,-6.357978739985433E-5,0.24377058802570933,0.0066969941765308155,0.0041353939040077526,-0.010499287586608324,-0.008522806273079353,0.004875411760514107,-0.005100262021685307,-0.021392112826745965,-0.0026981043204905466,1.3241657030845317,0.03637817865614769,0.022463525320173056,-0.057032296806631036,-0.04629601894242882,0.026483314061693183,-0.02770470424901139,-0.11620229639313105,-0.014656145491021323,0.16238946559015752,-0.009250325318664421,0.03439957988914522,0.017266787458325435,-0.006311464214168661,3.9225629399831306E-4,-3.899544996321785E-4,-0.021904349975284287,-0.016280120951401272,-0.12451652411055868,-0.07132638260688022,-0.02626103870600554,-0.12116672843448757,0.03481182210441839,0.048992157814464116,-0.06426782833612758,1.8128920301967662E-4,0.027472527472529613,0.016964285714286854,-0.04307036247334741,-0.03496240601503801,0.019999999999999338,-0.02092238470191283,-0.08775510204081687,-0.011068211068211905,0.027472527472525387,0.01696428571428454,-0.04307036247334803,-0.03496240601503747,0.020000000000000538,-0.02092238470191193,-0.08775510204081603,-0.011068211068210378,0.027472527472524523,0.016964285714284346,-0.04307036247334821,-0.03496240601503787,0.020000000000000198,-0.020922384701912294,-0.08775510204081662,-0.011068211068210697,0.027472527472528863,0.016964285714286466,-0.043070362473347334,-0.034962406015037764,0.019999999999999674,-0.020922384701912464,-0.0877551020408165,-0.011068211068211356,0.02747252747251179,0.016964285714277435,-0.043070362473351435,-0.03496240601503737,0.020000000000001922,-0.020922384701911274,-0.08775510204081532,-0.011068211068207759,-0.056963826348259666,0.2118338142448459,0.1063294801517715,-0.03886621703711796,0.0024155279566489803,-0.00240135342656004,-0.13488775208218876,-0.10025355334618465,1.2923890644139997,1.018275389691132,0.9798205679893237,1.0620021567416653,0.9215218973572975,0.8574542123531619,1.0096378858180612,0.9599177702403368,1.1675824175824194,1.075148809523811,1.0723169864960926,1.0119047619047634,0.9351395730706091,0.988001499812525,1.0544217687074846,0.9480909480909496,1.167582417582418,1.07514880952381,1.0723169864960913,1.011904761904762,0.9351395730706078,0.9880014998125237,1.0544217687074835,0.9480909480909485,1.1675824175824185,1.075148809523811,1.0723169864960937,1.0119047619047645,0.9351395730706097,0.9880014998125255,1.0544217687074853,0.9480909480909495,1.1675824175824179,1.0751488095238084,1.07231698649609,1.0119047619047614,0.9351395730706066,0.988001499812522,1.0544217687074815,0.9480909480909472,1.1675824175824172,1.0751488095238089,1.0723169864960898,1.0119047619047608,0.9351395730706066,0.9880014998125225,1.054421768707482,0.9480909480909474,1.2642186658167727,0.7229985654861731,0.8815330715466766,1.0406931615810768,0.8925819718137384,0.9088285760669385,1.1224791781169416,1.0249114162994017,192.19146549481383,96.09573274740693,150.0284157535327,192.19146549481385,9.151974547372088,96.09573274740693,2.8421709430404007E-14,0.5492449269511535,0.02615452033100731,-1.2583426885684832,235.97369764697058,11.236842745093837,11.4738127311488,192.19146549481383,96.09573274740693,150.0284157535327,192.19146549481385,9.151974547372088,96.09573274740693,2.8421709430404007E-14,0.5492449269511535,0.02615452033100731,-1.2583426885684832,235.97369764697058,11.236842745093837,11.4738127311488,192.19146549481383,96.09573274740693,150.0284157535327,192.19146549481385,9.151974547372088,96.09573274740693,2.8421709430404007E-14,0.5492449269511535,0.02615452033100731,-1.2583426885684832,235.97369764697058,11.236842745093837,11.4738127311488,192.19146549481383,96.09573274740693,150.0284157535327,192.19146549481385,9.151974547372088,96.09573274740693,2.8421709430404007E-14,0.5492449269511535,0.02615452033100731,-1.2583426885684832,235.97369764697058,11.236842745093837,11.4738127311488,192.19146549481383,96.09573274740693,150.0284157535327,192.19146549481385,9.151974547372088,96.09573274740693,2.8421709430404007E-14,0.5492449269511535,0.02615452033100731,-1.2583426885684832,235.97369764697058,11.236842745093837,11.4738127311488,192.19146549481383,96.09573274740693,150.0284157535327,192.19146549481385,9.151974547372088,96.09573274740693,2.8421709430404007E-14,0.5492449269511535,0.02615452033100731,-1.2583426885684832,235.97369764697058,11.236842745093837,11.4738127311488,246.2603467407791,122.40836533697896,196.37523239450294,246.01590229633462,11.715042966492126,122.40836533697896,-0.46666666666678225,0.6631160965667037,0.03157695697936684,-0.8626909119824834,176.40428331571127,8.400203967414821,10.86283469273728,0,11.849999999999989,12.150287253676705,-0.20562220127409672,0.094710661548946,5.140602152803185,11.116169373991786,22.0,52.0,47.0,41.0,11.0,5.0,0.0,0.0,0.0,11.0,32.796209999999995,4.0027103629889575,3.594715450890585,3.447887072321762,3.2223993949436864,3.0712626529623814,2.856856948169321,2.7501437577718977,2.4288059621701947,2.1259268441949963,1.9321303550915254,1.8381764841206332,1.6730713512812916,1.4884941229458846,1.4131414854290671,1.2496297225843571,1.1947091819156677,4.009926228378344,3.6139562753678858,3.4747776627596383,3.250168356988955,3.101175997417146,2.8773021779798262,2.7948904268517203,2.450553116072101,2.104921594404613,1.8774376842421652,1.7811174486714199,1.6035658057577915,1.4303368930385347,1.323023521275124,1.136143071949732,1.134540685948353,4.043024328846933,3.7054290767020177,3.591354412113404,3.377745207884264,3.229904447846191,3.0089131461611327,2.9558018081847375,2.704236987233523,2.0499571579066687,1.7249813492461523,1.6143599463762064,1.4041891631622403,1.2549139442317931,1.0464710397847787,0.977463575742723,0.7603185604309013,4.015306883701485,3.6285023860785777,3.4944931145235034,3.270931452890334,3.1230938429792854,2.893205430685883,2.827391048485632,2.467014614287286,2.0922388492533357,1.8431927334919127,1.7449479611146215,1.559614333798608,1.393140115552703,1.264281293278668,1.100247954333739,1.0582626705327123,4.060165503047198,3.75381130275763,3.647380935378721,3.442744656119288,3.2904862986830445,3.1016663537592706,3.0078502381448873,2.8389820851496474,2.0343961618915394,1.6812097486300495,1.562048140655502,1.344620264407327,1.1978099601730212,0.964517946544974,0.9253604890112246,0.631337262187557,4.073702474805414,3.60908214641881,3.4530711355919856,3.300494392753068,3.1619422535578874,2.9930159243188617,2.8461208795319446,2.6126008182063636,2.0489122650598515,1.8789970870266801,1.7551394225604242,1.5422520349953566,1.2952002944188257,1.1996250701093312,0.9809062742088432,0.9156877828618225,0,0,0,7,3,3,7,0,1,0.0,0.0,0.0,0.15137471507731048,0.24809686593468414,0.0,0.0,0.0,0.051834038994012184,0.07188092334087418,1.5281477162826895,0.20412414523193154,0.4317950458626713,0.10206207261596577,1.2071067811865472,0.17677669529663687,0.22896224130886905,0.05892556509887897,3.021589263657622,4.110445317198737,5.201308706944391,1.8907491696173053,2.222982859448254,2.3665432461446163,15.131545744180547,10.132158382491145,8.820940464366156,6.819522367751232,5.148203252198991,4.095559509795687,2.743210868474566,1.9443328220343243,0.7205497973419308,0.4605526537495975,0.3041703608402123,0.19484349622146377,0.1255659329804632,0.08030508842736642,0.05275405516297242,0.03535150585516953,13.991199352633217,8.626044312682032,6.963580246657816,4.6862701145762795,3.1018951880240677,2.1429875147525843,1.3351611889870594,0.8486190310239777,0.6662475882206293,0.3920929233037287,0.240123456781304,0.13389343184503655,0.07565598019570897,0.0420193630343644,0.025676176711289602,0.015429436927708685,29.12741705678807,49.317552804078716,46.88235294117642,47.400000000000034,32.978317365269504,385.8799940119761,0.5711258246429033,0.9670108392956611,0.9192618223760083,0.929411764705883,0.6466336738288138,7.566274392391689,6.8680000000000065,94.96700000000008,178.0238527888206,255.35298112243356,356.0477055776413,16.95465264655434,178.0238527888206,0.34296018257236555,0.01633143726535074,-2.2472959411340074,141.17514538261017,6.722625970600484,10.39500269926143,466,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,10.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,7.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,1.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.826256279872247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.7051320846781115,0.0,2.5712448608929215,0.0,0.0,2.7051320846781115,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.064617810498076,0.0,9.572630137709798,0.0,0.0,15.634224239199366,0.0,0.0,0.0,0.0,1.4812575848240532,2.7107744558488265,0.28649577191987907,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3440885346305276,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3417419515058855,0.0,0.2167251650281121,0.0,0.0,0.3417419515058855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.280590820072276,0.0,1.289152021919879,0.0,0.0,2.114535145501783,0.0,0.0,0.0,0.0,1.4812575848240532,1.3440885346305276,0.28649577191987907,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.381365347064752,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.41992465136097545,0.0,0.30702699829931973,0.0,0.0,0.41992465136097545,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3920134952129,0.0,1.4096261162612174,0.0,0.0,2.381365347064752,0.0,0.0,0.0,0.0,1.4812575848240532,1.366685921218299,0.28649577191987907,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,36.75,1.75,0.41992465136097545,2.3920134952129,0.05700251165280923,0.28649577191987907,13.612397317370588,0.9635042280801209,0.39201349521289997,5.397684099394889,0.9635042280801209,0.39201349521289997,5.397684099394889,10.5,0.5,0.0,0.0,0.46471,0.7,0.4377,0.4377,0.7,0.027,0.027,-0.0,0.0,0.71429,0.0,0.0,0.14286,0.14286,0.04762,21.0,1.0,11.0,0.52381,10.0,0.47619,-1.0,-0.04762,0.0,0.0,22.48,1.07048,33.29603,10.81603,0.51505,6.98502,0.33262,10.13214,3.14712,0.14986,0.28186,0.01342,0.45386,0.02161,0.19607843137254902,64.0,0,0,0,0,0,0,0.5238095238095238,0.9774178175281716,2.3439691487423886,3.244027178191284,4.162744587859908,4.414798567708407,4.3703396173329345,49.84830869393675,119.54242658586182,165.44538608775548,212.29997398085533,225.15472695312874,222.88732048397966,0.17231038904929197,0.4132216833950826,0.571894204439859,0.733856214388379,0.7782911720392972,0.7704534399061811,4.695007524443325,3.3284561932291075,2.428398163780212,1.5096807541115878,1.2576267742630893,1.3020857246385615,0.16720887539108267,0.4009876209375646,0.5549623983479693,0.712129274291963,0.7552486667897361,0.7476429827516136,6.779077412629033,18.10980318564859,24.12359462395783,27.120694153708683,27.64308309991841,27.329913620930384,79.92444756687563,55.56331165436083,39.345075488954045,29.349176856835374,27.69723353624709,29.078310999875125,17.355371900826448,8.585017835909632,5.289795918367347,11,10,10,3.77,2.635300000000002,0.5503212081491045,8.233732593591213,1.8054393627505163,1.5000000000000004,20.969953825785492,12.015118493098672,4.037801470863591,1.6509636244473134,1.3103706971044482,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.244,0.231,0.8160000000000001,1.379,10.424,29.0,35.0,41.0,51.0,52.0,55.0,52.0,52.0,37.0,447.0,3.349904087274605,3.8815637979434374,4.433788569232471,4.990432586778736,5.593316354962674,5.861231281108176,6.223691717155234,6.48819520820062,6.781398976579748,6.236277854097838,8.158855034748571,7.814728397651007,0.5,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,3.0,0.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.36363636363636365,11.0,0.5,1,7.0,14.0,1.0,4.0,2.444444444444445,1.0625,0.9955555555555561,0.6319444444444442,0.2857142857142858,0.20486111111111113,0.1148904006046863,0.051250000000000004,0.04122028364452607,0.18181818181818182,0.08429118773946362,0.036637931034482756,0.0414814814814815,0.03009259259259258,0.01503759398496241,0.012803819444444446,0.008837723123437408,0.004270833333333334,0.004580031516058452,0.439114517836575,108.20953667870702,165.52790071090712,216.4190733574141,10.305670159876861,108.20953667870702,0.3380228515163972,0.016096326262685583,-2.277747733270297,199.5541382505113,9.50257801192911,11.12177969530441,0.0,312.07692493840165,5.392317422778761,4.634728988229636,5.442417710521793,6.293419278846481,7.1316985104669115,7.99598047476376,8.84922702143852,9.72142596194803,10.58327083263794,11.460167941227157,115.11233672008022,3.8066624897703196,0.0,5.081404364984463,0.0,6.566672429803241,0.0,8.15507488781144,0.0,9.80006959333764,10.0190458931704,282.2347509600007,5.534014724705896,42.131731649146815,2.0062729356736577,0.0,0.0,0.0,1086.0,29.0,8.979000000000005,102.0,1.2514328341456322,2.182692611735386,2.9779333471830824,3.710148119563192,4.664835153281624,5.767373420678706,6.81147915047863,7.888253235718096,9.03538647971131,10.226835705064481,95.8902781720585,120.30408570002224,125.03295120308532,128.0869030066977,146.4644723338175,183.84371055300588,200.05585307637475,204.4300805590587,252.7032782921785,270.3672935192335,332.2291838796125,452.2258736132462,509.6458442190844,557.6697597162633,654.214491826822,819.3008373978186,936.1419722719622,984.5209774784907,1169.0027938735368,1327.8489594464022,9.165592106800489,15.725447737866064,21.229060270552164,26.280944246437976,32.91568443750005,40.729423608423566,48.10123809095794,55.391634926926976,63.493477274852204,72.07594434676369,2.4170557117037546,3.460014604782955,4.0786916378261795,4.61531435494259,5.500170060493851,6.871834329460071,7.97636709406213,8.562990058060493,10.02486347467162,11.526025851059641,175.53782712984673,324.5106403199564,458.7216726067157,583.4811694150121,743.1281868344097,916.1631075304289,1081.1177837480755,1275.8665742428543,1458.7467347270035,1633.0707381205975,2.892894428100143,4.376980540397192,5.636147280667775,6.62642192786718,7.8709698812914,9.810806547267088,11.704214025083102,12.78946939235399,14.955494785004225,17.908046659459146,0.49736971920691825,0.7193342201345017,0.855399417186973,0.974047818130242,1.1644388608576761,1.454069103547249,1.6917369210474111,1.823872540066798,2.1304949064590386,2.4522498308811134,514.5145986410561,524.6683357481576,18.759895938366665,185.89297877635272,-189.56150138297346,-9.781953524582995,328.62161986470335,714.229837131131,28.54184946294966,0.7345931358113086,0.7490900336668987,0.026784256114903062,0.2654068641886917,-0.2706445611024624,-0.013966087518144354,360.36992358007234,367.48167798899055,13.139573266794077,130.20085092365096,-132.77031195525518,-6.8513543705628575,0.06143792448191181,0.0640130083395794,0.41589461566695374,0.5999105908649327,700.4075774174086,0.0,1.0,0.0,1534.4564476855642,39.17213866621995,11.534130357962699,1826.5537161944324,42.738199730386775,12.223928929420417,3052.9944361175994,55.253908785873236,14.506924059108645,2.802742888785519,2.802742888785519,6513.786296545561,6475.503425399782,520.385957591543,1.0059119528831715,12.517221499774417,12.443655196557936,7.895629432115892,9.364340826787707,17.287606851343515,0.846110385248949,8.938771141418203,13.287295416865275,8.322260976230291,53.04307580848826,15.966397988999326,16.551355783438307,18.07577361570601,23.133441370701295,37.20551984637199,14.329678601335209,13.763812913312751,27.83301760108218,23.138732657318904,29.326460438242442,11.368948767730446,13.42929466471716,15.62671272764745,13.205694725397924,10.667518885187237,8.110180743239697,13.148132997263653,11.768657844504531,6.301012766497122,2.9411941017783345,5.156895108035092,6.04625805582268,4.497683928196345,2.502153704536353,3.3640841273057474,2.84687154526801,0.7503021401451352,13.091936952599816,0.6052057780101155,19.973940914541583,2.2162695870224183,2.3490261930955647,2.6856987719446095,2.1726638098571014,11.92025598510115,1.0376936422019334,2.4822328091773853,4.371396442728426,4.376806600688891,5.438441030404467,1.9449936610515384,1.4912820280772636,3.5065526826245783,3.243101747785172,3.17051807276147,1.8217216317705316,1.6810054473228995,1.4159874707469005,1.875236751512398,1.1335783270188362,1.862983757001501,1.5282883847833246,0.8183889000076644,0.041788563252898606,0.6069513102783329,0.7497521300983725,2.4217431057625216,13.104992187839425,2.014967299623559,23.228711375646323,3.2458929544401376,4.497340609938616,5.262739786244598,5.427475268069316,15.64808792115576,2.8325337107654316,3.9580069908145465,7.793230112957557,7.336416161995751,9.203643026707013,3.2728256455126274,3.0605611150210503,5.26121012158839,4.572490945819796,4.090467703019844,2.9686653186630907,3.51306733559324,2.751011300352823,2.5554147503300397,1.4446667635125237,2.4435890443861803,2.370417619375827,1.351058099562703,0.21290470868523675,0.9670401397946788,1.1614233738860489,8.43747889088674,13.2658471208327,7.791296254328473,49.78206979879315,14.49595613467431,15.416332268808068,16.933937754664868,21.48807578716372,35.150474244513546,13.191075442275613,12.780584428285257,25.913049770405795,21.682328594825954,27.47107035372433,10.58124733469416,12.391556901878175,14.63025163884482,12.346673384671488,9.992636940077535,7.6768582740556335,12.266189585233233,10.859581571405307,5.951103064935079,2.810055547715817,4.922785311191101,5.741339877760436,4.195193938980763,2.2344008219273945,3.123585618205844,2.7126871992118495,3.5691349677970816,13.121918083495807,3.0318510959825407,26.500849540077564,4.480346278128134,6.19498467805408,7.199380101754378,7.965767957657925,18.632742563807547,4.337308544808986,5.216644056764704,10.548156704102267,9.62644590656202,12.118171124370468,4.361245483823898,4.395407786361009,6.679310111817659,5.694163074111454,4.90320925914934,3.796584836031512,4.921741178081032,3.8985201382086307,3.0886134423201415,1.6754063229894591,2.869399512590126,2.9722917420663175,1.7815524372206002,0.42868008160707427,1.2744158836975954,1.448890951521226,10.794830763085313,13.377482385382953,10.354643192163802,66.5211084697679,22.124588583882304,21.055368446620363,22.530184186856335,29.636697065742865,45.39020253896505,18.914287457142827,17.736466050353695,35.49095866102044,28.880639221834695,36.64233709088024,14.524770281095655,17.62003375500847,19.605095261462562,16.669119490632387,13.411464957495468,9.769473770976058,16.617874119968906,15.447132870581616,7.686231840338638,3.4499919314532104,6.060552959840834,7.207400901332859,5.705375446744682,3.6265156698748306,4.33596182949932,3.350281471115532,5.20016305425353,10.760425148968869,4.475483676258414,31.21188669292914,6.746220995938097,9.286762388814733,10.191938935449224,11.855070678452964,21.92516221552925,6.935613958894886,7.397148001352496,13.959915761204362,13.457548611574662,15.403430139321944,6.276301092436078,6.44964282720483,9.050635561859787,7.272305334201933,6.226118419280039,4.814466301617813,7.454107414333544,5.85919191331839,3.976341713664226,1.9473003747616484,3.45392146918402,4.07650050380923,2.422897805917901,0.8454208641770969,1.9700983042756315,2.188912357337488,23.543883419759588,1.5915654968062154,1.4278001173726165,0.8863329704012807,0.05991607031100596,0.5022735116490525,0.4076759273351536,0.38240645109617366,26.56324903393842,73.36002942500335,153.42527975731525,0.829499455601921,1.2923558900803798,22.992142627661597,0.9949549353464417,0.85417329887791,0.9255622530543928,0.04005249734919982,0.4785352908956054,0.1563800390620943,0.14390144588341675,24.84127086188595,43.36528403748206,87.74674780723322,0.8883433795815893,0.7788167758411164,23.186632194643078,1.2050316239732304,1.0650449048085067,0.9108260005861303,0.04733650516511514,0.48672749589859904,0.2359755390756176,0.22670283773391936,25.456708723424814,53.918842317800035,109.13357138574167,0.8662390008791954,0.949405872708136,23.527442710953572,1.5737862354664658,1.4117500665762874,0.8873934045442694,0.059359087286834714,0.5015438744503019,0.3992490183501179,0.3753962112266894,26.512979012996325,72.46382713047969,151.24990949507875,0.831090106816404,1.2761891040271092,23.28293859549959,1.3091800486305396,1.1658706506791152,0.9039113390807866,0.0508261741103513,0.4908547065211774,0.2797656788658204,0.26940850404138406,25.757989294809246,59.15278804792801,120.44833199787135,0.8558670086211798,1.0400288894283818,23.59647462246776,1.6484063100578759,1.4787638050701912,0.8829811522404859,0.06168343900107443,0.5046167365707497,0.43499541232721856,0.40482689924988985,26.723644737595826,76.22779384912192,160.47028977556275,0.8244717283607288,1.344439048147858,23.584200074330774,1.5780322677083383,1.4170379914473628,0.8873155575161785,0.05937078963827761,0.5039429985903559,0.401203233130403,0.377552722759768,26.579270333486473,72.87246790367834,152.18911505462427,0.8309733362742677,1.2826989544805267 +UMLCN0086,L,"1,3-diethylbenzene",CCC1=CC(=CC=C1)CC,Aromatics,,C10H14,NREL (2014),Blend (Percentage? Method?),PubChem,,5,0,1.626,2.6438759999999997,49.2166,26.93510199999998,6,6,24,10,14,0,10,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1456.8661059999984,1612.1404419999994,2005.6538999999982,1915.9145149999977,1384.238190999998,884.8996839999999,376.41660100000024,90.93168,9.144576,4670.341439526318,5841.481646680556,7855.078336590804,8077.010366909126,6748.637992101094,4976.170055215576,2923.9484184516923,1247.9270979798557,279.75369987837234,169.46365600000004,175.05200800000006,300.8218080000001,362.0626039999999,340.215676,315.19912000000005,229.71638800000017,163.63814400000004,60.46617599999999,34.11358066788599,43.478620340000006,61.521678058792034,65.85463272788603,57.819371253339064,45.439082822433065,29.05727824788599,14.684298147282007,4.001516143641,3856.7906892394867,3411.6592288806005,6369.569538957793,7964.771285864888,7515.331096283741,7325.718653881835,5471.8473432616875,4247.253022713882,1664.258868218241,48.05555555555556,58.33333333333333,86.44444444444444,99.0,90.91666666666666,74.0,51.0,30.0,9.0,60.7027544166666,67.17251841666665,47.753664285714244,37.566951274509755,28.838295645833295,19.664437422222218,11.406563666666674,3.78882,1.016064,194.59755998026324,243.39506861168982,187.02567468073343,158.3727522923358,140.59662483543946,110.58155678256836,88.60449752883916,51.99696241582732,31.08374443093026,7.060985666666668,7.293833666666669,7.162424000000002,7.099266745098038,7.0878265833333325,7.00442488888889,6.9611026666666715,6.818256000000002,6.718463999999999,1.4213991944952495,1.8116091808333337,1.4648018585426674,1.2912673083899222,1.204570234444564,1.009757396054068,0.8805235832692724,0.6118457561367503,0.444612904849,160.6996120516453,142.15246787002502,151.65641759423318,156.17198599735076,156.5693978392446,162.79374786404077,165.81355585641478,176.96887594641177,184.917652024249,2.002314814814815,2.4305555555555554,2.058201058201058,1.9411764705882353,1.894097222222222,1.6444444444444444,1.5454545454545454,1.25,1.0,0.05003836337961751,-0.002252934300276823,-0.008460760613248595,-0.009773564920170908,-0.016699774161556488,0.0022141717854989758,-0.0037109600838790774,0.008783889039644862,0.0048807515641793005,706.2183858333335,-7.815970093361102E-14,15.133251125000005,-17.655459645833393,-363.1980269999998,-184.12122202083333,-194.2100561041668,201.77668166666675,189.16563906250002,1313.2432450621316,2.4158453015843406E-13,28.140926679903068,-32.831081126553165,-675.3822403176683,-342.3812746054847,-361.14189239208656,375.2123557320377,351.76158349878534,0.13834333333333312,2.2343238370581275E-15,0.0029645000000017583,-0.003458583333332448,-0.0711479999999993,-0.036068083333334174,-0.038044416666667843,0.0395266666666644,0.037056249999998764,5.870808328285838,1.3489209749195652E-14,0.12580303560613557,-0.1467702082071409,-3.019272854546996,-1.5306035998745267,-1.6144722902786128,1.6773738080816527,1.572537945076555,31.890324015952487,-1.0835776720341528E-13,0.6833640860560382,-0.7972581003988529,-16.400738065347007,-8.314263047016132,-8.769839104386865,9.111521147415097,8.542051075701611,4.49537037037037,-0.49537037037037124,0.5590277777777771,0.2598379629629618,-2.9398148148148167,-0.6024305555555562,-0.9241898148148153,0.8101851851851858,1.0850694444444449,0.002084931807484063,-9.38722625115343E-5,-2.014466812678237E-4,-1.916385278464884E-4,-3.4791196169909347E-4,4.920381745553279E-5,-1.1245333587512356E-4,3.6599537665186923E-4,5.423057293532556E-4,29.425766076388896,-3.2566542055671257E-15,0.3603155029761906,-0.3461854832516352,-7.566625562499996,-4.091582711574074,-5.885153215277782,8.407361736111115,21.01840434027778,54.71846854425548,1.0066022089934753E-14,0.6700220638072159,-0.6437466887559444,-14.070463339951424,-7.6084727690107705,-10.943693708851107,15.63384815550157,39.084620388753926,0.005764305555555547,9.309682654408864E-17,7.05833333333752E-5,-6.781535947710683E-5,-0.0014822499999999853,-8.015129629629816E-4,-0.0011528611111111468,0.00164694444444435,0.004117361111110974,0.24461701367857658,5.620504062164855E-16,0.002995310371574656,-0.0028778472197478608,-0.06290151780306241,-0.034013413330545035,-0.04892340273571554,0.06989057533673552,0.17472643834183946,1.328763500664687,-4.51490696680897E-15,0.016270573477524718,-0.015632511772526527,-0.34168204302806265,-0.18476140104480293,-0.2657527001329353,0.37964671447562903,0.9491167861890679,0.18730709876543208,-0.020640432098765468,0.01331018518518517,0.005094862018881604,-0.06124614197530868,-0.01338734567901236,-0.028005751964085314,0.03375771604938274,0.12056327160493832,-0.045024140441702123,-0.09662027340400846,-0.091915969221911,-0.1668697078965509,0.023599725074417762,-0.05393621770815789,0.1755430922671397,0.2601071782811299,-1.1067355721896568E-16,0.012244897959183675,-0.01176470588235298,-0.25714285714285695,-0.139047619047619,-0.2000000000000001,0.28571428571428575,0.7142857142857142,1.8396023057175851E-16,0.012244897959183782,-0.011764705882352898,-0.2571428571428574,-0.1390476190476192,-0.2000000000000002,0.2857142857142858,0.7142857142857145,1.615057106998143E-14,0.012244897959190955,-0.011764705882349949,-0.257142857142855,-0.1390476190476225,-0.2000000000000065,0.28571428571426977,0.7142857142856915,2.2976750380699686E-15,0.012244897959184691,-0.011764705882352537,-0.25714285714285656,-0.13904761904761948,-0.20000000000000093,0.2857142857142831,0.7142857142857104,-3.3978258467744477E-15,0.012244897959182122,-0.011764705882353541,-0.25714285714285734,-0.13904761904761817,-0.1999999999999984,0.28571428571428886,0.7142857142857186,-0.1101956745623071,0.07106076210092681,0.027200581571454416,-0.32698249227600434,-0.07147270854788886,-0.1495178354086697,0.1802265705458292,0.6436663233779611,1.1393928324879383,1.0232192362131312,1.0796220306688613,1.3244787519100572,0.9771652688647967,0.9386997887110345,0.5039220965484702,0.0,1.1500000000000001,1.0326530612244902,1.0050420168067231,1.2321428571428577,1.0514285714285718,1.0753246753246757,0.4928571428571427,0.0,1.1500000000000006,1.0326530612244897,1.0050420168067227,1.2321428571428572,1.0514285714285714,1.0753246753246757,0.49285714285714316,0.0,1.1500000000000001,1.03265306122449,1.0050420168067227,1.2321428571428572,1.0514285714285716,1.0753246753246755,0.49285714285714305,0.0,1.1499999999999995,1.032653061224489,1.0050420168067222,1.2321428571428565,1.0514285714285707,1.0753246753246746,0.4928571428571425,0.0,1.1499999999999992,1.0326530612244895,1.0050420168067222,1.2321428571428563,1.0514285714285712,1.0753246753246748,0.4928571428571425,0.0,1.2790937178166837,0.883183757540091,0.9697704004361787,1.379763130792997,0.9474768280123583,1.0465312236681958,0.6395468589083418,0.0,41.08370899079504,20.541854495397516,29.470289000539516,41.08370899079503,4.108370899079503,20.54185450111142,-7.105427357601002E-15,0.0,0.0,0.0,4000021.864022006,400002.1864022006,15.201810385074728,41.08370899079504,20.541854495397516,29.470289000539516,41.08370899079503,4.108370899079503,20.54185450111142,-7.105427357601002E-15,0.0,0.0,0.0,4000021.864022006,400002.1864022006,15.201810385074728,41.08370899079504,20.541854495397516,29.470289000539516,41.08370899079503,4.108370899079503,20.54185450111142,-7.105427357601002E-15,0.0,0.0,0.0,4000021.864022006,400002.1864022006,15.201810385074728,41.08370899079504,20.541854495397516,29.470289000539516,41.08370899079503,4.108370899079503,20.54185450111142,-7.105427357601002E-15,0.0,0.0,0.0,4000021.864022006,400002.1864022006,15.201810385074728,41.08370899079504,20.541854495397516,29.470289000539516,41.08370899079503,4.108370899079503,20.54185450111142,-7.105427357601002E-15,0.0,0.0,0.0,4000021.864022006,400002.1864022006,15.201810385074728,41.08370899079504,20.541854495397516,29.470289000539516,41.08370899079503,4.108370899079503,20.54185450111142,-7.105427357601002E-15,0.0,0.0,0.0,4000021.864022006,400002.1864022006,15.201810385074728,47.3643718484871,23.387818551263226,33.68508961792465,47.30659407070932,4.730659407070933,23.38781855159321,-0.1444444444444457,6.661338147750939E-16,6.661338147750939E-17,-34.945041100449046,4000024.0414642217,400002.40414642217,15.201810929432158,0,11.890000000000004,12.110155106233561,-0.15696090148019706,0.06532298892187771,5.558256921310099,8.602201024516905,10.0,24.0,21.0,18.0,4.0,3.0,0.0,0.0,0.0,6.0,15.304897999999996,3.821183088297823,3.1871131026876545,2.95753353629234,2.5063692811789284,2.4082112737756374,1.6081667664748276,1.6038156971063582,0.8553846250297481,2.0079094213949062,1.6757442722383822,1.5205348729425348,1.0464310902396579,1.0107268915108336,0.7252895724847873,0.6862004591271393,0.2729119035609953,3.8320976635751327,3.2174401425404,2.9946459008706534,2.5416622550084154,2.447240048491671,1.6963711431812443,1.6959116880873741,0.9735045212950163,1.9763463550860745,1.60160681208822,1.4402884912801044,0.9638262868995828,0.9187336803666586,0.5918725907283154,0.5580415288778361,0.10921765994284034,3.8823552777013486,3.3572040103863703,3.1625043126760746,2.697422215862494,2.620868136547522,2.072934022655824,2.0589069353505645,1.458695979570632,1.8929051258446927,1.38609637911069,1.1964244647468998,0.7288580843368442,0.6560296199756562,0.14231255965668899,0.12571752695943758,0.45291259551986857,3.840248664607963,3.240168172900453,3.0223240423406876,2.5676546682121852,2.4760881117163955,1.7623864018407092,1.7601550490466125,1.059190677978621,1.9571674749823051,1.5544728878844647,1.3883195527095273,0.9119371687655479,0.8607981020067392,0.502182141394628,0.47189380328286795,0.0015315677407545768,3.9084413908868685,3.4281071753639316,3.2452293965737296,2.774427118751075,2.7070136024694897,2.2387746666176476,2.2185898487606077,1.6692551799259867,1.86923207819867,1.3209417532559042,1.1195317637175533,0.6577403276389562,0.5765115511981949,0.01797190185414802,0.02862458310815274,0.657723943501536,3.8569622730855166,3.227465597380014,3.070421639330707,2.6482016860181017,2.541007049082406,1.817141377055712,1.8121821683988,1.1830654201410078,1.9435259690654623,1.5433350353907678,1.315869829193427,0.8192264625419684,0.7859262791486943,0.41926386653239484,0.38080047259888755,0.13796204180583635,0,0,0,4,2,2,2,0,0,0.0,0.0,0.0,0.08333333333333333,0.11785113019775793,0.0,0.0,0.0,0.027777777777777776,0.039283710065919304,0.4082482904638631,0.0,0.0,0.0,0.23570226039551587,0.0,0.0,0.0,0.9326256854541919,1.22850154022226,1.3523053613195999,0.4896361540812282,0.5519174106388386,0.5425790924548628,7.397341225498538,4.863703305156275,3.7151533086750197,3.046112076437508,2.1438898043711276,1.5934129887191775,0.745812289025486,0.3535533905932738,0.7397341225498538,0.48637033051562745,0.3095961090562516,0.21757943403125055,0.14292598695807518,0.09958831179494859,0.0745812289025486,0.05892556509887897,6.723614639131599,3.942687548605561,2.5270576858082214,1.8078898326815906,1.0694902838028493,0.7010208911377398,0.3108752284847306,0.12667994256430742,0.6723614639131599,0.39426875486055607,0.21058814048401844,0.12913498804868503,0.07129935225352328,0.04381380569610874,0.03108752284847306,0.021113323760717905,13.792794626501124,23.214857975236704,22.078431372549026,22.319999999999997,15.589881437125744,181.42586946107787,0.5746997761042135,0.967285748968196,0.9199346405228761,0.9299999999999998,0.6495783932135727,7.559411227544911,2.811400000000001,45.19800000000003,43.09324378865203,59.79346001346315,86.18648757730406,8.618648757730405,43.09324378865203,3.885780586188048E-16,3.8857805861880476E-17,-35.48403760118173,4000018.8631129367,400001.8863112937,15.20180963485128,90,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,4.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.661481481481482,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.54125,0.0,1.2905555555555557,0.0,0.0,1.54125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.3785185185185185,0.0,2.2933333333333334,0.0,0.0,8.773796296296297,0.0,0.0,0.0,0.0,2.8876851851851857,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4438425925925928,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3631944444444445,0.0,0.28597222222222224,0.0,0.0,0.3631944444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1892592592592592,0.0,1.1466666666666667,0.0,0.0,2.136574074074074,0.0,0.0,0.0,0.0,1.4438425925925928,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2777777777777777,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.39875,0.0,0.35930555555555554,0.0,0.0,0.39875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1892592592592592,0.0,1.1466666666666667,0.0,0.0,2.2777777777777777,0.0,0.0,0.0,0.0,1.4438425925925928,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.333333333333336,1.8333333333333335,0.39875,2.2777777777777777,0.1340972222222222,1.1466666666666667,6.197808796296296,0.35333333333333333,0.27777777777777773,2.304629629629629,0.35333333333333333,0.27777777777777773,2.304629629629629,5.0,0.5,0.0,0.0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,-0.0,0.0,0.71429,0.0,0.0,0.2,0.2,0.0,11.0,1.1,5.0,0.5,6.0,0.6,1.0,0.1,0.0,0.0,6.67902,0.6679,11.50267,4.82364,0.48236,2.89931,0.28993,4.86369,1.96438,0.19644,0.05031,0.00503,0.13631,0.01363,0.25,10.0,0,0,0,0,0,0,0.4,0.9798687566511528,2.2841591278514217,2.9387218755408675,3.272055208874201,3.3553885422075345,3.272055208874201,23.516850159627666,54.81981906843412,70.52932501298082,78.52932501298082,80.52932501298082,78.52932501298082,0.21371358140814276,0.4981849093623235,0.6409478540072342,0.7136492846690781,0.731824642334539,0.7136492846690781,3.605093744070004,2.3008033728697352,1.6462406251802895,1.312907291846956,1.2295739585136225,1.312907291846956,0.20607611772209405,0.4803813185510975,0.6180423562500168,0.688145662202401,0.7056714886904971,0.688145662202401,6.772325919164824,16.889393193805688,20.297121657941815,21.54907791594182,21.63306333527515,20.633063335275153,37.92632203826385,28.080689196503005,23.07894792087341,21.042732295212357,20.827318753485592,22.11980000384617,8.1,4.0,2.2857142857142856,2,6,2,2.56,1.2800000000000005,0.16666666666666669,3.861957538422519,1.4142135623730951,0.0,6.603502478832731,7.412576046325591,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.129,0.112,0.529,0.672,4.894,12.0,14.0,15.0,16.0,10.0,6.0,1.0,0.0,0.0,94.0,2.6390573296152584,3.1135153092103742,3.590439381300684,4.027581346062418,4.440442937595088,4.076477560393676,3.7256934272366524,1.8021222562636017,0.0,0.0,5.77823265015644,3.427526595744681,0.5,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.2,4.0,0.4,0,3.0,6.0,1.0,2.0,0.666666666666667,0.5,0.38222222222222235,0.18055555555555555,0.0,0.0,0.0,0.0,0.0,0.2,0.05555555555555558,0.045454545454545456,0.05460317460317462,0.04513888888888889,0.0,0.0,0.0,0.0,0.0,0.40075216450216455,25.064092658508986,36.35559528063817,50.12818531701797,5.0128185317017975,25.064092658568125,2.220446049250313E-16,2.2204460492503132E-17,-36.04365338911715,4000019.4536941466,400001.94536941464,15.201809782495875,0.0,150.3504701562669,4.321928094887363,3.8066624897703196,4.574710978503383,5.3706380281276624,6.159095388491933,6.961296045910167,7.753194269884341,8.556606193773073,9.349145334853365,10.1528055448198,82.68415427413404,3.044522437723423,0.0,4.23410650459726,0.0,5.652489180268651,0.0,7.164720378771857,0.0,8.71948076085107,8.961237781491876,134.109550448,5.587897935333333,19.568912904593958,1.9568912904593958,0.0,0.0,0.0,121.0,11.0,3.7939999999999996,44.0,1.2359293225400425,2.155957117989352,2.9718105384146525,3.799774680716345,4.618309803155358,5.696812286907075,6.512070773573471,7.548772374319561,0.0,0.0,92.7616177251147,112.7646565839008,120.94984000626272,123.09659963372665,101.95395357971091,70.60516979936752,26.615603237367804,7.670035853740631,0.0,0.0,323.57891775187136,429.7682808664654,497.4731144768882,571.7486396500851,549.0176111424207,522.5150597937563,353.259295476198,234.64411125061588,0.0,0.0,9.045833162482355,15.496124802624555,21.15940377621648,27.01274810680656,32.4616867625672,39.70313665193932,44.47087797030386,50.71615544106049,0.0,0.0,2.362509317279424,3.3156125129231735,4.001805209599828,4.802717413661619,4.917068934693367,5.129669506761788,4.101542969040664,3.356281613390103,0.0,0.0,173.74978465213667,323.15109349403895,459.66056853045126,589.1970380531912,743.3130032871957,941.125428880954,1146.865086033096,1395.9012631246885,0.0,0.0,3.0936484862089255,4.590750711271168,5.926066540057945,7.380086239184952,7.828746840942166,8.918068011081843,8.315233633818627,7.548772374319561,0.0,0.0,0.486472118928774,0.690464497197593,0.8401202439285899,1.0151730917558532,1.0514325375698188,1.112904854455618,0.9149512567836567,0.7729942911303229,0.0,0.0,306.9655417810341,157.18494286335272,10.92105920483013,89.6601053106719,-45.9114024610397,-5.034427789014053,217.30543647036222,203.09634532439242,15.955486993844183,0.7739427443280259,0.3963055440714077,0.027534929435123014,0.2260572556719739,-0.11575500171935241,-0.012693147369388381,121.7504066437588,62.34357967625012,4.331572174042583,35.56149728715575,-18.209639709997617,-1.9967831795541657,0.12166415903783884,0.11964436182883599,2.1908487646604686,1.1476094194414166,396.62564709170607,0.0,1.0,0.0,729.0594247518127,27.00110043594173,9.00024453965929,865.5271790712615,29.419843287673398,9.530014688487976,1262.2427315834652,35.528055555904906,10.807227476982751,1.5348666685367933,1.5348666685367933,740.7371830284419,627.0928507824804,176.97212510629936,1.1812240916224084,4.185615009050232,3.5434555041129405,4.5137779287221536,4.389329296889234,8.621033031822416,0.9640889185352842,4.231360713684943,4.769035699463266,3.6918026712922956,11.730082657540857,8.033630783360287,6.022030282758925,7.139713854774925,7.076058136044395,6.232359650734582,7.420134298381776,4.319239329523872,2.475466921004211,0.5724716129708015,1.2561333049476129,0.09857933021243166,0.23116431939056173,5.792125681414803E-7,2.7999457642086324E-34,2.6105809584713497E-83,4.694621871366012E-154,1.6283208142724358E-246,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3552183916223571,4.768829469393267,0.2794875029992368,5.583306476763708,1.8606301979287185,1.7634956731755638,0.5127026998998853,1.5470344191328869,2.3108530520078396,0.3423391414424257,0.26057768258574754,0.06935675574462452,0.24008568016221568,0.010072389229794868,0.0010341922477572652,0.0016281092026842333,4.079441476901281E-9,1.97202469556854E-36,1.8386535145410366E-85,3.3064605697127123E-156,1.146839663503657E-248,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1464216759772787,4.768843705149004,0.9215703696995888,6.329350280158631,2.481358468474987,2.4223269602941824,1.6297115238316058,2.4651078176864485,3.0737233790091127,1.289671979898958,0.812930844921771,0.31508164382195897,0.26369979681156946,0.0953412122345192,0.008108408153141126,0.016966153170763106,4.251092545522252E-8,2.0550017766856362E-35,1.91601872308287E-84,3.445586843090558E-155,1.1950953511736386E-247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.994066058222666,4.769013218190921,3.4636429078657383,11.173839934479087,7.4295564367450595,5.6868839502346935,6.650628205346002,6.6631008945163455,5.978988748841373,6.81087450602842,3.9730937418524412,2.2413474164833476,0.5364750359678473,1.1200358788598392,0.08806644283433614,0.2059632468003504,5.160679703359933E-7,2.4947012669674313E-34,2.3259806342928334E-83,4.182823567562908E-154,1.450804529973817E-246,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6895579266340146,4.768861749818592,1.3785055031013478,6.992512972687267,3.097294156746834,2.9370739433187185,2.4664888864949717,3.1578436407142796,3.6085720152656857,2.0876734572273237,1.274085623177053,0.5566324223046033,0.2930438226568002,0.20407857434152643,0.016776155064348455,0.03685275181673049,9.233941068035172E-8,4.46373846191851E-35,4.161848697656544E-84,7.484275045342935E-155,2.595906799310684E-247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.109956015387673,4.769130128260942,4.55844417405645,13.993909141375575,10.527042600593424,7.347449482469643,9.045255024726893,8.689612983056996,7.185578161177063,9.875740992374837,5.711765797777878,3.4408827088018943,0.7235180326613376,1.8279556538584865,0.14266006170086043,0.3371314346448072,8.447270953261706E-7,4.083457753791428E-34,3.8072869814258895E-83,6.846664791439841E-154,2.37475287546509E-246,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3519285304933266,4.134393284852102,1.8136202523386844,7.5683723850865485,4.382097001473813,3.970114796401318,3.620928264439722,3.975932942043538,4.047202972887115,2.9718875174964303,1.9295462418691123,0.9372287576181482,0.3835687438103089,0.3784675978307629,0.030644740022195208,0.06877616114099355,1.7232770622391146E-7,8.330417149711633E-35,7.767017727683353E-84,1.3967470030510446E-154,4.8445908523808E-247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.463346586419253,1.7044802582589367,0.5595251155329679,0.7405850727558915,0.19530325647800464,0.5738888244965352,0.371788391078175,0.36607808076860715,8.727351960211159,15.586750917758746,30.478193372541508,0.6108776091338374,1.3117552963433172,4.439578269341704,1.1038442433869022,0.236057222647515,0.7681622693764462,0.19099370426550435,0.27192527080714624,0.15593937809348907,0.06590556121780579,5.779479735376121,6.209167837994849,13.145470286944335,0.6522434040646693,0.4937702101184411,5.15804044551569,1.3171801638758245,0.3512815758166451,0.7555905360569963,0.19295096202121262,0.3663337618590332,0.22203360180999615,0.14553674401385094,6.8265021852081595,9.068694258729955,18.281827553656218,0.6333858040854945,0.7339041076828804,6.403673320371123,1.6867803196675897,0.5500272033495963,0.7411246476255092,0.1952183391458258,0.5633861779775012,0.36410744543238616,0.35390388518388477,8.640480843388309,15.251559719842472,29.833208974373623,0.6116869714382638,1.281397508593772,5.51172857155063,1.4221540599144176,0.4078226078332847,0.7507422855997692,0.19370895637460064,0.41798173306335196,0.2588311758068332,0.19574569962981112,7.3417052392983315,10.666321262351016,21.204755091723886,0.6261134283996538,0.8725586084999962,6.653981872357363,1.7610224261324372,0.5898563807444464,0.7389322399736675,0.19556353938861726,0.6080921753945377,0.39686215166180877,0.40629740299072037,9.004860679234246,16.68145527975617,32.59814172283176,0.6083983599605013,1.4112517300470668,6.4028603555946315,1.689894173573478,0.549391401394262,0.7408877849367649,0.19554103658412897,0.5631432526479561,0.3654530989342553,0.3527531259272756,8.642145930562371,15.266246161043405,29.852892984519503,0.6113316774051473,1.281349477509487 +UMLCN0087,L,1-butylnaphthalene,CCCCC1=CC=CC2=CC=CC=C21,Aromatics,,C14H16,NREL (2014),Unknown,PubChem,,6,0,1.2899000000000007,1.6638420100000018,64.52,35.30868799999998,10,11,30,14,16,0,14,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2035.954717999998,2357.6752229999997,3098.2202350000016,3159.8574190000018,2628.181095000002,2040.0335869999972,1402.4416629999976,872.7925959999999,340.0953370000003,6426.576535385498,8188.539388168244,11560.685474567896,12423.720617652076,11095.348242844035,9317.627763907118,7049.877075057188,4861.433438845058,2579.738569340136,213.0626480000001,226.98985199999993,389.9919160000002,505.80247600000007,483.9555480000001,453.394316,387.644092,308.08148800000015,208.36349200000012,46.15840647758402,59.65020895999999,87.94956241909392,98.18370742213082,90.14844594758384,78.32391454243292,61.600592992433086,44.32553851243307,25.716645317885984,4733.803417647985,4351.876104756399,7959.152561529597,10975.572228696436,10526.132039115288,10050.749719066636,8777.959556142136,7172.596106168935,5012.479700122987,63.083333333333336,77.8888888888889,118.52777777777777,139.50000000000003,132.33333333333337,119.16666666666669,97.66666666666667,75.0,47.5,67.8651572666666,76.0540394516129,57.37444879629633,44.50503407042256,38.64972198529415,31.875524796874956,25.498939327272684,19.83619536363636,11.336511233333344,214.21921784618326,264.14643187639496,214.08676804755362,174.98198053031092,163.166885924177,145.5879338110487,128.17958318285798,110.48712361011495,85.99128564467121,7.10208826666667,7.322253290322578,7.222072518518522,7.123978535211268,7.1169933529411775,7.0842861875,7.0480744,7.001852000000003,6.945449733333337,1.5386135492528008,1.9242002890322578,1.628695600353591,1.382869118621561,1.3257124404056446,1.2238111647255143,1.1200107816806015,1.007398602555297,0.8572215105961994,157.79344725493283,140.38310015343225,147.39171410239993,154.58552434783712,154.79605939875424,157.0429643604162,159.59926465712974,163.0135478674758,167.08265667076623,2.102777777777778,2.512544802867384,2.1949588477366255,1.9647887323943667,1.9460784313725497,1.861979166666667,1.7757575757575759,1.7045454545454546,1.5833333333333333,0.06923329677910267,-0.004999844374310498,-0.024829200166820022,0.006259877113753834,-0.009247583625766036,-0.013334127255785637,2.796680948053535E-4,0.003961581953356141,-0.004819323279619267,903.9595338666663,34.43655367111023,-61.34011122666745,160.8832741822219,-176.48733756444494,-257.73608138222255,-244.82237375555565,-107.07615907111096,-48.42640359999961,1680.9513536795284,64.03624204493464,-114.06455614253903,299.169318303678,-328.1857404802895,-479.2712490550566,-455.25765828820636,-199.1126901084687,-90.05096537568954,0.1770794666666665,0.006745884444446457,-0.012016106666664687,0.031515928888889405,-0.034572657777777294,-0.05048872888888897,-0.04795902222222287,-0.0209754844444456,-0.009486400000001286,7.514634660205868,0.2862717965792828,-0.5099216376568156,1.337426049643785,-1.4671429574687629,-2.142565477522985,-2.035213553805761,-0.890126367488679,-0.40256971393960805,40.81961474041918,1.55503294249191,-2.7699024288143965,7.26491952820548,-7.9695438302723485,-11.638449678964705,-11.05531232553008,-4.835180555561401,-2.1867650753794363,5.674999999999999,0.26083333333333436,0.2988888888888902,1.696944444444445,-0.8355555555555576,-2.0594444444444466,-1.8180555555555582,-0.5761111111111129,-0.9166666666666686,0.0023077765593034223,-1.6128530239711286E-4,-4.5980000308925965E-4,8.816728329230752E-5,-1.3599387684950053E-4,-2.0834573837165058E-4,5.084874451006427E-6,9.003595348536685E-5,-1.6064410932064224E-4,30.13198446222221,1.110856570035814,-1.135927985679027,2.2659616082003082,-2.5954020230065433,-4.027126271597227,-4.4513158864646485,-2.4335490697979765,-1.6142134533333203,56.03171178931761,2.065685227255956,-2.112306595232204,4.213652370474338,-4.826260889416022,-7.48861326648526,-8.277411968876478,-4.525288411556107,-3.001698845856318,0.005902648888888883,2.1760917562730505E-4,-2.2252049382712384E-4,4.4388632237872403E-4,-5.084214379084896E-4,-7.888863888888902E-4,-8.71982222222234E-4,-4.7671555555558185E-4,-3.1621333333337623E-4,0.25048782200686226,0.009234574083202671,-0.00944299328994103,0.0188369866147012,-0.02157563172748181,-0.03347758558629664,-0.03700388279646838,-0.020230144715651797,-0.013418990464653602,1.3606538246806394,0.05016235298361,-0.05129448942248883,0.10232281025641521,-0.11719917397459335,-0.1818507762338235,-0.20100567864600147,-0.10989046717185001,-0.07289216917931454,0.18916666666666662,0.008413978494623688,0.005534979423868337,0.023900625978090777,-0.012287581699346435,-0.03217881944444448,-0.0330555555555556,-0.013093434343434384,-0.03055555555555562,-0.06988774617149032,-0.19923939396803883,0.03820442795333699,-0.058928528544613015,-0.09027985726423078,0.00220336515270839,0.03901415547462846,-0.06960990598202928,0.036866359447003685,-0.037698412698413196,0.07520120724346063,-0.08613445378151288,-0.1336495535714288,-0.14772727272727285,-0.08076298701298694,-0.05357142857142816,0.03686635944700474,-0.037698412698412564,0.07520120724346077,-0.08613445378151277,-0.13364955357142874,-0.14772727272727296,-0.08076298701298733,-0.05357142857142888,0.03686635944701564,-0.03769841269840652,0.07520120724346206,-0.08613445378151148,-0.1336495535714289,-0.14772727272727484,-0.08076298701299155,-0.05357142857143589,0.03686635944700611,-0.03769841269841188,0.07520120724346092,-0.08613445378151251,-0.13364955357142871,-0.1477272727272731,-0.08076298701298772,-0.05357142857142964,0.036866359446998696,-0.03769841269841594,0.07520120724345997,-0.08613445378151294,-0.133649553571428,-0.14772727272727118,-0.08076298701298439,-0.05357142857142458,0.044479181469376336,0.029259803121770952,0.12634692147008342,-0.06495637902738205,-0.17010829662261404,-0.17474302496328956,-0.0692163930049395,-0.16152716593245267,1.0914027802344242,1.0843396364840756,0.825854003299223,0.9880092728629923,1.1052664094877656,1.0629493027288324,0.980689637220666,1.074822219102899,1.0023041474654388,1.0429067460317472,0.9026031187122747,1.0566570378151272,1.092354910714287,1.0945616883116895,1.0151176948051959,0.9709821428571437,1.002304147465438,1.042906746031746,0.9026031187122736,1.056657037815126,1.0923549107142856,1.0945616883116882,1.0151176948051948,0.9709821428571431,1.0023041474654373,1.0429067460317454,0.9026031187122731,1.0566570378151254,1.092354910714285,1.0945616883116878,1.0151176948051943,0.9709821428571425,1.0023041474654377,1.0429067460317463,0.9026031187122736,1.0566570378151257,1.0923549107142854,1.0945616883116884,1.015117694805195,0.970982142857143,1.0023041474654373,1.0429067460317454,0.902603118712273,1.056657037815125,1.0923549107142847,1.0945616883116875,1.0151176948051945,0.9709821428571425,1.007373723019595,0.8976903972009208,0.7787153661075604,1.0165990037718462,1.1455656510034262,1.1536510479241755,1.0791282872780674,1.2136563876651985,72.06034465119903,36.030172325599516,53.80746676669256,72.06034465119903,5.147167475085645,36.030172325599516,0.0,0.4946311298972806,0.0353307949926629,-0.9855201808673487,96.21656847500851,6.87261203392918,6.393242201236537,72.06034465119903,36.030172325599516,53.80746676669256,72.06034465119903,5.147167475085645,36.030172325599516,0.0,0.4946311298972806,0.0353307949926629,-0.9855201808673487,96.21656847500851,6.87261203392918,6.393242201236537,72.06034465119903,36.030172325599516,53.80746676669256,72.06034465119903,5.147167475085645,36.030172325599516,0.0,0.4946311298972806,0.0353307949926629,-0.9855201808673487,96.21656847500851,6.87261203392918,6.393242201236537,72.06034465119903,36.030172325599516,53.80746676669256,72.06034465119903,5.147167475085645,36.030172325599516,0.0,0.4946311298972806,0.0353307949926629,-0.9855201808673487,96.21656847500851,6.87261203392918,6.393242201236537,72.06034465119903,36.030172325599516,53.80746676669256,72.06034465119903,5.147167475085645,36.030172325599516,0.0,0.4946311298972806,0.0353307949926629,-0.9855201808673487,96.21656847500851,6.87261203392918,6.393242201236537,72.06034465119903,36.030172325599516,53.80746676669256,72.06034465119903,5.147167475085645,36.030172325599516,0.0,0.4946311298972806,0.0353307949926629,-0.9855201808673487,96.21656847500851,6.87261203392918,6.393242201236537,87.914199462277,43.20435302108294,67.04348134129819,87.82542395207288,6.273244568005204,43.20435302108294,-0.2071428571429479,0.6456640842558058,0.04611886316112899,-0.612466265397085,82.5117170692076,5.893694076371972,6.178116431672266,0,11.850000000000003,12.150172447925994,-0.18550616087713367,0.11718085181262883,5.289092569871405,10.056436355231927,15.0,31.0,26.0,20.0,4.0,5.0,0.0,0.0,0.0,11.0,17.491311999999997,4.000275408991065,3.4087620822437708,3.2424157411565306,2.935439210965752,2.5750293236926605,2.488691557354144,2.161159733917995,1.7238215760238453,2.1214734479368746,1.8126158409958353,1.5849092178748725,1.3950404215794308,1.1261336884985487,0.9034453726056978,0.869798768926465,0.6811221454918834,4.007350637475136,3.432149471185381,3.266577337112907,2.9596299870941314,2.6156818195754874,2.508442378489956,2.2053784616173573,1.8018792103767163,2.1008481660830305,1.7492019588542524,1.5340228867629222,1.3172745638171688,1.0527128657742781,0.80698909577169,0.7841694547871007,0.5648666530453967,4.039882625687361,3.5439347352457116,3.3690865310493496,3.0780188173106064,2.7911995214818033,2.6045398669845174,2.4125988007150556,2.1230183775575933,2.0467091004207836,1.5677161003408375,1.3890154095770078,1.1042371190647942,0.8247941394680569,0.6258278837707504,0.45634180107254224,0.18204986936111237,4.0126309925779315,3.4498956234902636,3.2841581835000855,2.978042441360882,2.6456336114368635,2.5234222700030684,2.2386358560299024,1.8583880324224213,2.088366230773583,1.7090724434132778,1.502239859818905,1.2685925355803704,1.005337923953043,0.7626037577211833,0.7142343486220187,0.4879017962592652,4.0567653518436675,3.6025963052829404,3.4175630142787825,3.1434857692299,2.8720845694246613,2.657814079161736,2.5204278150285844,2.2640009244555674,2.0313916087181303,1.5143700258212935,1.343600914661085,1.0460097978353267,0.7477287727292354,0.5785818101123364,0.3581445882512141,0.04556880302892615,4.028722139065875,3.4594353506231856,3.308287035985907,3.0067503675971303,2.688739325986308,2.5635218855074227,2.2996887473213596,1.8991400600712236,2.078412605602498,1.7365567116115606,1.4189865940265636,1.221259483810679,0.9353523063529475,0.7017730383470634,0.6379056601469538,0.3993597917888172,0,0,0,7,3,1,3,0,0,0.0,0.0,0.0,0.15137471507731048,0.25137565482875424,0.0,0.0,0.0,0.051834038994012184,0.07471451958015056,0.4694160968212876,0.0,0.13608276348795434,0.0,0.2575641895980023,0.0,0.05351904376567389,0.0,1.3806820952411107,2.4288690166235205,3.3728429314399624,0.6447528870931667,0.9701765050135408,1.1646683241446782,9.803118619434356,6.91501490017253,5.541603156639756,4.651668418299142,3.8963919954970523,3.225078404990675,1.957663321411844,1.3150355080776421,0.7002227585310254,0.4610009933448353,0.29166332403367135,0.18606673673196567,0.12176224985928288,0.08269431807668398,0.05757833298270129,0.03984956085083764,8.662772227887025,5.382027376825739,3.7418256701318335,2.6796036015628726,1.8777196323025163,1.3351363997859365,0.7252074284015346,0.4210791764489892,0.6187694448490733,0.35880182512171593,0.19693819316483335,0.1071841440625149,0.05867873850945363,0.034234266661177855,0.02132963024710396,0.012759975043908764,18.334622430286984,29.102694828841948,27.80392156862746,28.079999999999988,20.388435928143725,224.68220838323356,0.6111540810095661,0.970089827628065,0.9267973856209153,0.9359999999999996,0.6796145309381242,7.489406946107786,4.182400000000003,62.560000000000045,106.53931418531054,145.48072452808967,213.07862837062103,15.219902026472933,106.53931418531054,0.1455103184725498,0.0103935941766107,-2.698511588567191,75.9230287185895,5.423073479899251,6.061608065883368,181,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,4.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,3.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,1.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.49978906840514,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.917412446460066,0.0,1.2465090388007054,0.0,0.0,2.917412446460066,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2412008692365837,0.0,3.7590100623582767,0.0,0.0,15.227101048752836,0.0,0.0,0.0,0.0,1.4906944444444445,2.7819935752078613,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.36213246409675,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3896527777777778,0.0,0.2540001810909549,0.0,0.0,0.3896527777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2412008692365837,0.0,1.2062037037037037,0.0,0.0,2.1031091742252457,0.0,0.0,0.0,0.0,1.4906944444444445,1.36213246409675,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.248009259259259,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4309608449861426,0.0,0.40187500000000004,0.0,0.0,0.4309608449861426,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2412008692365837,0.0,1.2857218442932727,0.0,0.0,2.248009259259259,0.0,0.0,0.0,0.0,1.4906944444444445,1.4198611111111112,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,25.5,1.8214285714285714,0.4309608449861426,2.248009259259259,0.13409722222222223,1.2062037037037037,8.560269582152305,0.30453420256991676,0.2480092592592592,2.9366038359788353,0.30453420256991676,0.2480092592592592,2.9366038359788353,7.0,0.5,0.0,0.0,0.48667,0.7,0.44,0.44,0.7,0.04667,0.04667,-0.0,0.0,0.71429,0.0,0.0,0.07143,0.21429,0.0,17.5,1.25,7.5,0.53571,10.0,0.71429,2.5,0.17857,0.0,0.0,9.44505,0.67465,18.20261,8.75756,0.62554,3.71067,0.26505,6.915,3.20433,0.22888,-0.001,-7.0E-5,0.171,0.01221,0.3333333333333333,43.0,0,0,0,0,0,0,0.2857142857142857,0.9967916319816367,2.5124807982156097,3.443019030245398,4.164735178725505,4.481727678869737,4.548394345536403,29.9037489594491,75.37442394646828,103.29057090736194,124.94205536176514,134.4518303660921,136.45183036609208,0.20314119757912016,0.5120311425863427,0.7016702254023698,0.848752401867852,0.913353903362083,0.9269402398347834,3.910098963626882,2.394409797392909,1.463871565363121,0.7421554168830138,0.42516291673878204,0.3584962500721156,0.1920665372543437,0.48411671140532964,0.6634172294618786,0.8024809184733346,0.8635605362037343,0.8764061855913609,6.644859528439603,19.036885850359155,25.156310394560393,28.635299355593098,29.68758399672805,29.754772332194715,50.84059815238854,37.889657615519624,26.30704652023985,19.61810444944291,17.637362179762693,17.443569473388788,10.515555555555556,5.185595567867036,2.5344,4,10,4,3.0,1.6489999999999996,0.0,2.253301022366838,0.6082201995573401,0.0,14.752754450523605,13.310616537480769,0.0,2.381101577952299,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.193,0.184,0.895,1.4000000000000001,7.342999999999999,19.0,25.0,32.0,39.0,34.0,33.0,30.0,27.0,13.0,281.0,3.068052935133617,3.6506582412937387,4.297285406218791,4.917239946496703,5.488679428337867,5.6507332535663855,5.970384541811796,6.243863456570981,6.513224315272367,5.670008878155976,7.890618351052921,9.50567865880783,0.5,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,3.0,0.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.2,4.0,0.26666666666666666,1,4.0,8.0,1.0,1.5,1.333333333333334,0.6875,0.4755555555555556,0.18055555555555552,0.12081632653061224,0.07118055555555555,0.02040816326530612,0.0,0.0,0.1,0.07017543859649127,0.03618421052631579,0.031703703703703706,0.016414141414141412,0.01725947521865889,0.017795138888888888,0.02040816326530612,0.0,0.0,0.3099402716135061,44.97251980589729,65.3077218344367,89.94503961179458,6.424645686556755,44.97251980589729,0.24748443437403114,0.01767745959814508,-1.9549706265168747,134.96322368394257,9.640230263138756,6.867003253838218,0.0,191.0050325573336,4.807354922057604,4.23410650459726,5.056245805348308,5.8998973535824915,6.748759547491679,7.605392364814935,8.462314529906248,9.323222529032856,10.182973629388371,11.045494523523427,97.55840678768557,3.4339872044851463,0.0,4.672828834461906,0.0,6.150602768446279,0.0,7.747164966520335,0.0,9.404343433543975,9.62066034281053,184.125200512,6.137506683733333,28.55841846141948,2.0398870329585344,0.0,0.0,0.0,303.0,19.0,5.218000000000001,68.0,1.2526292701797703,2.2012303866709795,3.0164676850302756,3.896280047184617,4.829306344372283,5.590038221391431,6.274525338276576,7.018762691776629,7.797638163985556,8.154936840445648,105.14974276613034,136.76550708604887,146.20934068325576,166.53980179404272,162.7971075425788,151.60555999134442,132.84321459049664,81.60824201685065,30.14818855153663,8.285937745850566,353.9670295453171,498.14506338928214,561.4018145914491,682.7999798383707,729.467141306531,741.0114714074834,720.460501233994,616.277657046172,410.0116773547591,253.48597259879045,9.203690537213722,15.946228004643801,21.562968571565683,27.842501379123313,34.27629350594317,39.44880830433601,44.008144520235426,48.80512159587915,53.18804354594062,54.788649584807835,2.535586666779847,3.7400694301156627,4.374503420956015,5.4571249147286,6.074422845615631,6.4060359091255705,6.4969633539467955,6.115321650098321,4.80740136156422,3.6257901574906657,173.87925296819782,321.1143247029228,461.035998895332,594.9347770971208,753.734867590793,888.668303441235,1017.2557726299264,1168.2289525509457,1378.2067708382278,1507.991772941257,3.2342944355625294,4.968006700942614,6.129865882385024,7.886161381907128,9.159382786204828,10.059437234602546,10.885547326850219,11.251961764535903,9.801536913829105,8.154936840445648,0.5202171902825726,0.7746149361080592,0.9131692923029386,1.1438035974529441,1.2826978968374168,1.3617480425852484,1.3913160587694282,1.3294711292017554,1.0742146159705936,0.8350655324616344,325.43745208567265,218.78909695649799,14.09869549512329,149.44399173493963,-100.47004666400306,-8.110900963281034,175.99346035073302,319.25914362050105,22.209596458404324,0.6853025240729506,0.46072361808086604,0.029688874304486638,0.3146974759270495,-0.2115686935578723,-0.01707984396700274,154.54420711974552,103.89888225490968,6.695208872711309,70.96817856540376,-47.71136082052606,-3.851716360128892,0.09277233858098066,0.09708110821243436,0.6526359003738654,0.9495047499288388,474.8814438206122,0.0,1.0,0.0,1099.8854636625144,33.16452115834804,10.32244285854073,1256.3642270263554,35.44522855091155,10.790424259810456,2054.946920472119,45.33152237099609,12.71355099860994,1.2509421167603039,1.2509421167603039,1428.4786397254027,1065.3633279167784,456.62797559213686,1.3408370668424108,3.1283204623479515,2.333110069603725,5.498179956152646,5.623937801071452,9.382628398083298,0.6683378675162011,5.0341624433789125,6.451416475969999,6.6227398210051005,22.013726763261953,5.050960565496504,9.46143910600185,8.02397091422882,15.600240827233904,11.642719386097534,5.607574113085713,16.7663304652879,5.217974849608505,3.681587138056855,5.628731011583995,4.286292138126277,2.3769693967593577,2.381103595868103,0.2521807960853658,2.7987617733822714E-17,5.990952638822646E-55,2.473442073721998E-114,1.9696248113274832E-195,3.0251100174471192E-298,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4226154620541692,6.4512282764630715,0.4818086968904376,10.307146488042585,0.7671398440388221,1.5130617674158324,1.4320581179669774,3.101405164730834,5.2132132773388165,1.711259079564021,2.5828711811081773,1.9360562743624035,1.1453361532756055,1.3982639544063413,0.22566322277594064,0.14173325466562336,0.016770307317668817,0.0017761299664639494,1.971190801148599E-19,4.2194769287179127E-57,1.7420654766920656E-116,1.3872228593113933E-197,2.130609720186345E-300,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3639305156354884,6.451241314002883,1.6039540548502682,11.518875695528592,1.0655688864145678,2.7839666145769035,2.722712220921321,4.950957909523181,6.2931617225118766,2.25976685601672,4.805266867125759,2.419042138293906,1.469339142537913,2.137864058932796,0.8168014303831108,0.4955848933934421,0.17475953222222665,0.0185086436539565,2.05413279440646E-18,4.397020283105269E-56,1.8153665406673807E-115,1.4455931748471153E-196,2.2202595993070557E-299,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.75184684163928,6.451395976638202,6.200329278944091,20.88037986635426,4.584941915207052,8.850486030148371,7.600998408981959,14.586823622451028,11.166876227914603,5.281730168530253,15.660032326800106,4.95093073827531,3.457795059283007,5.325903082730219,3.9536049207922335,2.2039013858672036,2.121520435619027,0.22468854916439024,2.4936463524571727E-17,5.3378309428207504E-55,2.203792356966896E-114,1.7549002466688606E-195,2.6953185628487285E-298,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0101137898944432,6.451257799116353,2.4132720806225145,12.700412927638471,1.441454450613489,3.760779014516415,3.625005510155769,6.428974884744817,7.103531935373882,2.7095841936925655,6.530625453181435,2.806098303925195,1.7492705494842637,2.6823732553263673,1.293184075409379,0.7688999195996308,0.37960105651274934,0.04020324726402805,4.461850916288968E-18,9.550915613896944E-56,3.9432187076383946E-115,3.1400215455088953E-196,4.822700535497769E-299,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.079450045000657,6.451502569491855,8.239495875823307,26.683107274257704,7.00777910471783,11.864723783624479,9.612098042425282,19.634334918951964,13.497922272940942,6.913166440321214,21.132682155813463,6.281801701402207,4.587993025220437,6.7997455616781535,5.613570605291086,3.0588970332849446,3.472615814711371,0.367781990742643,4.0817310144445E-17,8.73724138457086E-55,3.6072828065470494E-114,2.8725126788834075E-195,4.411838655849088E-298,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.7827062222741827,5.401025749452685,3.5202625613113656,13.438649560496463,1.945543084659416,4.788099933909224,4.82814933848018,7.787268680564874,8.377829166486396,3.2084151362731226,8.893262027745239,3.205682635946144,2.412172519279885,3.485206545466001,2.057103401980766,1.2065271483718816,0.7177182695748615,0.07601297352207877,8.436098540298737E-18,1.8058081002833357E-55,7.455511671657236E-115,5.936892933797567E-196,9.118363143708351E-299,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.35309308951361,2.941159122799923,0.5732337305382096,0.6766139959306983,0.27063841060079913,0.5422065774410982,0.4019121406137832,0.3411995547391982,10.867485942851744,27.527629419785733,50.79222160187118,0.5149209938960475,1.2853182727940797,5.831470093239628,2.2286060789467377,0.2552019595070485,0.7012958557589514,0.2680134138210576,0.34185762365521316,0.23148589984863652,0.06778073855982382,8.315278131693415,15.052996931907964,26.6848924126346,0.5519437836384272,0.6411242620636735,6.339163802326653,2.4671010123556134,0.3614334211796342,0.6914673279198174,0.2691080082353593,0.40354228695748173,0.2834398863806045,0.13584055074782445,9.167698235861902,18.82223585399259,33.64252055235149,0.5372009918797261,0.8228227240859107,7.303919328961014,2.91822469879083,0.5629708237342061,0.6772222113104922,0.2705789172369116,0.5350056005076369,0.39571615635052204,0.32911259495196066,10.78511485148605,27.069246627382928,49.85379059425103,0.5158333169657384,1.2598343518101196,6.601653804838695,2.590084450298127,0.41630615928264714,0.6870965120572431,0.2695745709096644,0.4374615824263957,0.312234490352517,0.1801457087398792,9.60804441441947,20.92541811629156,37.65181529988901,0.5306447680858648,0.9298417815187919,7.512129464980187,3.0152990849772614,0.6064203032365633,0.6747109255776498,0.2708227069305194,0.565828129279196,0.42226438089789076,0.3817722821218055,11.133848853194012,29.035363515551932,53.90543095443953,0.5120663883664748,1.3698647922988922,7.3123017054970765,2.928636131022131,0.5627300196538545,0.6768351084876171,0.2710779496380713,0.5362173068630528,0.39850428855567943,0.32884998644412716,10.803667856173062,27.177954125671846,50.032525292863085,0.5152526627314257,1.2635715818628594 +UMLCN0088,L,decalin,C1CCC2CCCCC2C1,Cycloalkanes ,,C10H18,Heyne (2009),IQT,PubChem,,37.4,0,-0.7417999999999996,0.5502672399999994,35.0592,29.602273999999973,0,0,28,10,18,0,10,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1460.930361999998,1804.832914999999,2487.8955500000015,2345.839788,1438.9391579999954,619.7409140000007,121.24224000000001,8.128512,0.0,4794.676417250038,6723.945013911961,10537.898002017777,11615.323972997578,8832.862308036008,4844.062373628315,1663.9027973064742,248.6699554474421,0.0,196.3375120000001,211.06305200000003,429.78495200000026,653.8418400000012,627.1574640000007,454.6427599999997,218.18419200000014,53.74771199999999,0.0,35.892032287282,50.72169758000001,84.9161870187919,101.58915274001676,83.51386583395985,50.08737963396011,19.579064196375995,3.5569032387919997,0.0,4596.461297336483,4150.9437758222,9073.119014544194,14973.697080099419,14894.864316877565,11325.235938259562,5663.004030285177,1479.341216193992,0.0,39.55555555555556,49.94444444444445,92.83333333333333,128.33333333333331,118.16666666666666,80.5,36.0,8.0,0.0,52.176084357142784,62.235617758620656,41.46492583333336,25.224083741935488,15.988212866666615,9.390013848484859,3.7888200000000003,1.016064,0.0,171.23844347321565,231.86017289351588,175.63163336696294,124.89595669889869,98.14291453373343,73.39488444891387,51.99696241582732,31.083744430930263,0.0,7.012054000000004,7.27803627586207,7.163082533333338,7.030557419354851,6.968416266666674,6.888526666666663,6.818256000000004,6.718463999999999,0.0,1.2818582959743572,1.749024054482759,1.4152697836465318,1.092356481075449,0.927931842599554,0.758899691423638,0.6118457561367499,0.44461290484899996,0.0,164.15933204773154,143.13599226973105,151.21865024240324,161.00749548494,165.49849240975072,171.59448391302368,176.96887594641177,184.917652024249,0.0,1.4126984126984128,1.7222222222222223,1.547222222222222,1.3799283154121862,1.3129629629629629,1.2196969696969697,1.125,1.0,0.0,0.036870921627999376,9.438827155492362E-4,-0.01264541872026709,-0.008225512876738474,-0.011527986525224403,0.0017035477392882887,0.005737944431491808,0.005578082421900921,0.0,778.2814864285712,50.03238127040768,-232.2490784897965,-224.21919013775528,-305.1357573775508,50.65006498979602,148.24409265306147,123.53674387755112,0.0,1447.2476578235742,93.0373494315158,-431.87707884258987,-416.9451585634581,-567.41297060702,94.18595868375597,275.6662205378231,229.72185044818622,0.0,0.15245999999999976,0.0098010000000034,-0.04549599999999587,-0.043922999999999025,-0.05977400000000161,0.00992199999999662,0.02903999999999735,0.02419999999999897,0.0,6.46987040260072,0.41592024016720663,-1.9306914852205095,-1.8639388540825723,-2.5365999832418584,0.42105505794701426,1.2323562671620258,1.0269635559683616,0.0,35.1444387114578,2.2592853457363065,-10.487546790086139,-10.124945438301038,-13.778851367825467,2.2871777574125924,6.694178802182643,5.578482335152112,0.0,1.4444444444444435,-0.027777777777776416,-0.49999999999999906,-0.19444444444444536,-0.444444444444447,-2.5743296383495817E-15,0.22222222222222132,0.22222222222222185,0.0,0.0013168186295714063,3.254767984652539E-5,-2.1075697867111814E-4,-8.844637501869328E-5,-1.2808873916916004E-4,2.581132938315589E-5,1.79310763484119E-4,6.972603027376151E-4,0.0,27.79576737244897,1.7252545265657822,-3.8708179748299414,-2.410959033739304,-3.3903973041950093,0.7674252271181216,4.632627895408171,15.44209298469389,0.0,51.687416350841936,3.2081844631557175,-7.197951314043165,-4.4832812748758935,-6.304588562300223,1.4270599800569086,8.614569391806972,28.715231306023277,0.0,0.0054449999999999915,3.3796551724149656E-4,-7.582666666665979E-4,-4.7229032258063467E-4,-6.641555555555735E-4,1.5033333333328212E-4,9.074999999999172E-4,0.003024999999999871,0.0,0.23106680009288286,0.014342077247145056,-0.032178191420341826,-0.02004235326970508,-0.02818444425824287,0.006379622090106276,0.03851113334881331,0.1283704444960452,0.0,1.2551585254092072,0.07790639123228643,-0.17479244650143563,-0.1088703810570004,-0.1530983485313941,0.03465420844564534,0.2091930875682076,0.697310291894014,0.0,0.05158730158730156,-9.578544061302212E-4,-0.008333333333333318,-0.002090800477897262,-0.0049382716049383,-3.900499452044821E-17,0.006944444444444416,0.02777777777777773,0.0,0.024716904147322777,-0.16005011923298398,-0.06716671000278945,-0.09727136014991672,0.019601279024702798,0.13616967398348584,0.5295036742945816,0.0,0.0620689655172408,-0.13925925925925964,-0.08673835125448037,-0.12197530864197527,0.027609427609427674,0.166666666666667,0.5555555555555561,0.0,0.062068965517241594,-0.13925925925925908,-0.08673835125448025,-0.12197530864197526,0.027609427609427476,0.16666666666666632,0.5555555555555551,0.0,0.06206896551726301,-0.13925925925924684,-0.0867383512544785,-0.1219753086419788,0.027609427609418247,0.16666666666665172,0.5555555555555327,0.0,0.06206896551724399,-0.1392592592592576,-0.08673835125447954,-0.12197530864197477,0.02760942760942651,0.1666666666666645,0.555555555555552,0.0,0.06206896551723406,-0.13925925925926347,-0.08673835125448114,-0.12197530864197485,0.027609427609430737,0.16666666666667176,0.5555555555555635,0.0,-0.01856763925729353,-0.16153846153846133,-0.04052936311000849,-0.09572649572649633,-7.560968168579196E-16,0.13461538461538414,0.5384615384615379,0.0,1.3429580850189735,1.317299794702671,1.0366013966899748,1.0189179145438583,0.8128831157921537,0.5706062502778905,0.0,0.0,1.30344827586207,1.3300000000000014,1.0838709677419367,1.026666666666668,0.7636363636363643,0.5250000000000001,0.0,0.0,1.3034482758620687,1.3299999999999992,1.083870967741935,1.0266666666666662,0.7636363636363633,0.525,0.0,0.0,1.3034482758620693,1.33,1.083870967741936,1.0266666666666666,0.7636363636363637,0.5250000000000002,0.0,0.0,1.303448275862068,1.3299999999999983,1.0838709677419334,1.026666666666665,0.7636363636363631,0.5249999999999996,0.0,0.0,1.30344827586207,1.3300000000000003,1.0838709677419356,1.0266666666666668,0.7636363636363644,0.5250000000000002,0.0,0.0,1.3965517241379322,1.2980769230769238,0.993796526054591,1.0269230769230775,0.8496503496503502,0.5841346153846158,0.0,0.0,44.31797780234433,22.15898890117216,32.158988901172165,44.31797780234433,4.431797780234433,22.15898890249232,-7.105427357601002E-15,5.273559366969494E-16,5.2735593669694933E-17,-35.17865595163055,5000017.121246596,500001.71212465956,15.424951894641831,44.31797780234433,22.15898890117216,32.158988901172165,44.31797780234433,4.431797780234433,22.15898890249232,-7.105427357601002E-15,5.273559366969494E-16,5.2735593669694933E-17,-35.17865595163055,5000017.121246596,500001.71212465956,15.424951894641831,44.31797780234433,22.15898890117216,32.158988901172165,44.31797780234433,4.431797780234433,22.15898890249232,-7.105427357601002E-15,5.273559366969494E-16,5.2735593669694933E-17,-35.17865595163055,5000017.121246596,500001.71212465956,15.424951894641831,44.31797780234433,22.15898890117216,32.158988901172165,44.31797780234433,4.431797780234433,22.15898890249232,-7.105427357601002E-15,5.273559366969494E-16,5.2735593669694933E-17,-35.17865595163055,5000017.121246596,500001.71212465956,15.424951894641831,44.31797780234433,22.15898890117216,32.158988901172165,44.31797780234433,4.431797780234433,22.15898890249232,-7.105427357601002E-15,5.273559366969494E-16,5.2735593669694933E-17,-35.17865595163055,5000017.121246596,500001.71212465956,15.424951894641831,44.31797780234433,22.15898890117216,32.158988901172165,44.31797780234433,4.431797780234433,22.15898890249232,-7.105427357601002E-15,5.273559366969494E-16,5.2735593669694933E-17,-35.17865595163055,5000017.121246596,500001.71212465956,15.424951894641831,46.18351954848748,22.82289526003808,33.290043797539425,46.174630659598606,4.617463065959859,22.822895260715644,-0.022222222222200827,0.015709333929483232,0.0015709333929483232,-4.15350022548209,259.8331902846415,25.983319028464148,5.560039849289383,0,11.899999999999999,12.100171725916232,-0.14394619781653115,0.0565699255576699,7.2238125,9.245567794036004,11.0,29.0,29.0,29.0,11.0,0.0,0.0,0.0,0.0,0.0,19.677725999999996,3.7430788517157514,3.2497753951453574,2.9285316942288264,2.641561682004545,2.4598209946876803,1.6549879293328524,1.357662929815223,1.2063470752380836,2.064306129593233,1.7241710785035256,1.4633028909837456,1.2331854610530828,1.1890988475640554,0.7578639354190905,0.5999750847055473,0.5478183358767726,3.7644424931429565,3.282201666049343,2.964117745231798,2.6804427412831027,2.5108976211203275,1.7417431547407909,1.4591263411592628,1.3146930541666955,2.0164279410556456,1.6559760066687523,1.3855048186004868,1.146920766080397,1.0888632415977513,0.6219497304774952,0.45212192519106503,0.393253775406509,3.8586666936122844,3.4243464425950956,3.1225232010307233,2.854988672496449,2.734801488790063,2.1047978391687985,1.8769428505939942,1.7784680891728581,1.8775637227396835,1.4525836511201273,1.1543543567558374,0.8902592541248833,0.7789134011160724,0.17284907323754753,0.04608083541248517,0.13760597295742508,3.7801910677117774,3.3060760942074285,2.990466187121068,2.709324748254963,2.5485718485520445,1.8048616786213285,1.5325973050082171,1.3935289897419565,1.986131194310218,1.6122857329828706,1.33568497742485,1.091608351264856,1.0236184218622422,0.531260614293166,0.3527762671432401,0.2887648599485484,3.904834437815671,3.4931240003967696,3.200205685030754,2.9411283253922242,2.8418617348799313,2.2680455112616724,2.0609040763220627,1.9780391444545957,1.8347311927766796,1.388428310242402,1.082182257175206,0.8103606565108941,0.6784346770494788,0.01618292316794676,0.2239327195677553,0.3325548113152156,3.806025351210373,3.381570075931814,3.0556491231366865,2.7639358407250203,2.65457233304662,1.964241148815488,1.705927834199808,1.5949522242166265,1.9388335052181787,1.5084407584210664,1.234970511619558,0.9945388390877354,0.8777296830199272,0.3319928897512736,0.13973137290523735,0.05899063263646301,0,0,0,0,0,0,8,2,0,0.0,0.0,0.0,0.16666666666666666,0.23570226039551587,0.0,0.0,0.0,0.16666666666666666,0.23570226039551587,0.3333333333333333,0.0,0.08333333333333333,0.0,0.3333333333333333,0.0,0.08333333333333333,0.0,0.9428090415820635,1.4999999999999996,1.8856180831641258,0.9428090415820635,1.4999999999999996,1.8856180831641258,6.811554787871632,4.966326495188786,4.089073411524036,3.4663264951887856,2.8575892353471595,2.316496580927726,1.1401194830787669,0.7041241452319316,0.6811554787871632,0.4514842268353442,0.29207667225171685,0.19257369417715475,0.12989041978850724,0.08909602234337408,0.06333997128215371,0.04400775907699572,6.811554787871632,4.966326495188786,4.089073411524036,3.4663264951887856,2.8575892353471595,2.316496580927726,1.1401194830787669,0.7041241452319316,0.6811554787871632,0.4514842268353442,0.29207667225171685,0.19257369417715475,0.12989041978850724,0.08909602234337408,0.06333997128215371,0.04400775907699572,14.876450234072873,26.99053168244719,25.52941176470589,25.839999999999993,17.186990419161674,213.9969904191617,0.5313017940740312,0.9639475600873997,0.9117647058823533,0.9228571428571426,0.6138210863986312,7.642749657827204,3.3668000000000022,43.91600000000002,69.06175437447962,80.5546797136114,138.12350874895924,13.812350874895923,69.06175437447962,1.0547118733938987E-15,1.0547118733938987E-16,-34.485508771070606,35.258437856282,3.5258437856282,3.562704872422836,90,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9999999999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.356481481481481,0.0,0.0,0.0,2.310185185185185,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5289351851851851,0.0,0.0,0.0,1.1550925925925926,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5601851851851851,0.0,0.0,0.0,1.1550925925925926,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.666666666666666,1.4666666666666666,0.2,1.5601851851851851,0.2,1.1550925925925926,6.937652777777777,0.1782407407407408,0.06018518518518522,0.7129629629629632,0.1782407407407408,0.06018518518518522,0.7129629629629632,5.0,0.5,0.0,0.0,0.44286,0.7,0.44286,0.44286,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.0,0.2,0.0,5.5,0.55,5.5,0.55,0.0,0.0,-5.5,-0.55,0.0,0.0,10.92696,1.0927,10.92696,0.0,0.0,4.96631,0.49663,4.96631,0.0,0.0,-0.05231,-0.00523,0.11969,0.01197,0.35714285714285715,31.0,0,0,0,0,0,0,1.0,0.9402859586706309,1.1981174211304033,1.8073549220576044,2.378783493486176,2.1820058147602137,2.1209520310264036,26.328006842777665,33.54728779165129,50.605937817612926,66.60593781761293,61.096162813285986,59.3866568687393,0.1955932053937423,0.2492259133256579,0.3759562069704717,0.49482169135704857,0.4538890616851501,0.44118898342513296,3.8670689633869726,3.6092375009272004,2.999999999999999,2.428571428571428,2.62534910729739,2.6864028910312,0.19355488619937233,0.2466286760553579,0.3720382858373332,0.48966504724329574,0.44915898537863946,0.43659125738731025,6.7790978643922335,9.873075413909502,13.62770163720563,14.203601655491346,11.8422695107798,13.943752653587216,39.20654966362498,35.42600365995918,30.439319389264984,31.319982602715932,35.57548875849309,31.95007360332691,6.694214876033058,2.938775510204082,1.382716049382716,0,0,0,2.56,1.300400000000001,0.0,0.0,0.0,0.0,11.678631656953222,8.596559454588334,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.093,0.10400000000000001,0.34900000000000003,0.426,5.02,14.0,18.0,22.0,26.0,18.0,16.0,14.0,12.0,0.0,161.0,2.4849066497880004,2.70805020110221,2.9444389791664403,3.1354942159291497,3.295836866004329,2.9444389791664403,2.833213344056216,2.70805020110221,2.5649493574615367,0.0,5.087596335232384,1.0,0.4,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,3.0,0.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1,3.0,5.0,0.6666666666666666,1.0,0.8888888888888893,0.25,0.28444444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.09090909090909091,0.06349206349206352,0.020833333333333332,0.047407407407407405,0.0,0.0,0.0,0.0,0.0,0.0,0.22264189514189517,22.15898890117216,32.158988901172165,44.31797780234433,4.431797780234433,22.15898890249232,5.273559366969494E-16,5.2735593669694933E-17,-35.17865595163055,5000017.121246596,500001.71212465956,15.424951894641831,0.0,156.80338755786684,4.321928094887363,3.9318256327243257,4.74493212836325,5.572154032177765,6.401917196727186,7.234898420314831,8.068089626278244,8.902047345620277,9.735956081214809,10.570059724910275,86.16188018833097,3.1354942159291497,0.0,4.3694478524670215,0.0,5.849324779946859,0.0,7.43543801981455,0.0,9.06681636189014,9.288504392945537,138.140850576,4.933601806285714,20.658424477801383,2.0658424477801383,0.0,0.0,0.0,109.0,12.0,5.228,50.0,1.270785684746369,2.198260689590796,2.9161465983428023,3.6310702703978563,4.682064841026401,5.473553677947094,6.348633768337947,0.0,0.0,0.0,92.03105568166285,100.02063535520065,81.68676499310348,67.7685383032541,47.14499190836483,21.48875072837801,6.450618221192527,0.0,0.0,0.0,324.88527677466203,409.7395091315387,387.03471763365167,390.68983383535056,357.7638378360444,290.2682871266583,197.33930954059045,0.0,0.0,0.0,9.290239855435436,15.793167462764634,20.55224328718254,25.40714085358804,32.304865043218506,37.34709871898952,42.653067421762834,0.0,0.0,0.0,2.386712268828458,3.250396778558139,3.3235327181155943,3.598942681824331,3.6547821484864844,3.394231838626293,2.822684501563187,0.0,0.0,0.0,179.31669369384628,329.14903987175984,465.94185519346456,593.0426408023524,799.3531701894761,966.4973208503378,1173.9744500029128,0.0,0.0,0.0,2.251524163399901,3.4660137905966257,4.095301022268403,4.9114066108950425,5.77941543251313,6.1915788974465915,6.348633768337947,0.0,0.0,0.0,0.4920250511181087,0.6799273270782868,0.7060027536681946,0.7734327035633505,0.7995710814294016,0.7580924370280441,0.6501000978778058,0.0,0.0,0.0,351.27600446389755,170.26901732880302,9.39210718945946,32.48645695753212,-15.746697845459995,-1.6875548103521756,318.7895475063654,186.01571517426302,11.079661999811636,0.9153474864706554,0.44368335740327053,0.02447375169179326,0.08465251352934448,-0.04103240787839257,-0.004397394169564133,134.80654411135043,65.34285719390951,3.6043381729608686,12.467082684883858,-6.042991524433251,-0.647620187804325,0.06215355246314093,0.10840869733338719,0.7906042354166758,0.48753094927713364,383.7624614214297,0.0,1.0,0.0,680.4474022115106,26.085386756027034,8.795587501229269,854.8140516836877,29.237203212408804,9.490531847179355,1229.047730158328,35.05777702819059,10.711646939107315,1.8301303576621053,1.8301303576621053,619.3488165665344,473.57841523627167,205.79306619326292,1.307806261097303,3.009570866614602,2.301236013421016,4.2242715393901555,3.95991220314894,7.2686979142566805,0.8355704726171906,5.020209997486678,7.823463833895329,6.572015318052924,32.93681581173064,9.70416209836289,16.344405879087898,18.077663770329703,8.019496680060925,12.027183986645568,4.822135871612282,6.153177404915159,0.09572479395130215,0.06841282933200385,0.004766654169378708,5.9403519257090115E-24,1.433520779724729E-66,6.672242246347463E-131,5.9898441621842935E-217,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4213114702953898,7.823126417509687,0.506923990117078,11.838979126082119,2.7886850220156596,1.1051721934493233,1.3858724573604166,0.5057600012598921,1.6096444294034205,0.11578228688604017,0.1324743819990288,7.397781142230534E-4,4.8183715077980595E-4,3.357193506177193E-5,4.1838384327338064E-26,1.0096404063836684E-68,4.6993147698815486E-133,4.2186962195580305E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.360044704732597,7.823149673053313,1.6658124943162227,14.001698104261559,3.449631012807886,3.7357252293774583,4.053639737522358,1.6336837630626995,2.896790903720946,0.5639834166279899,0.6806187298968903,0.00719414743877598,0.005021114609521538,3.4984544744165084E-4,4.359882222547346E-25,1.052123147136285E-67,4.8970483092897914E-132,4.3962067239676783E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.738668725045699,7.823427039250508,6.172722636866169,30.88681619788728,9.015246332218991,15.24162763161263,16.79423498932933,7.415956015936109,11.092514754262929,4.352722792239506,5.543746432792255,0.08533422413132304,0.06095459926153754,0.004247003048255683,5.292746618428589E-24,1.277241206282504E-66,5.944847717498984E-131,5.336843310092485E-217,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.004455641088595,7.82317918228268,2.4848472507623725,16.12287526536055,4.126233331673377,5.684068885666835,6.104516513978515,2.528455540562244,4.029580797399711,1.0238211967214974,1.2590490728338615,0.015465270899927448,0.010906531886493279,7.599110605106186E-4,9.470246783731343E-25,2.2853520672480737E-67,1.0637043303828616E-131,9.549148454736934E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.06263060624487,7.823618391680757,8.08219936121983,41.38815378032001,12.556425099089697,20.62034165391324,23.126615139336206,10.417132124813268,15.824968054267423,6.766006356652299,8.68309062947944,0.13939171000646425,0.09977368203542271,0.006951717128382693,8.663445000029231E-24,2.0906553326909009E-66,9.730838248476913E-131,8.735624775570201E-217,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.4574449131550686,7.599861973383087,4.312725741132414,22.349604611223537,6.155691547798693,10.166495548595208,11.244302366913335,4.923695317075426,7.3643811683884985,2.4888525043229603,3.1299605693702803,0.04469843794982736,0.03180348471012576,0.002215903281219441,2.7615272381911732E-24,6.6640945338443E-67,3.1017655070830153E-131,2.784534992750963E-217,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.953262617543322,1.8788186526711894,0.7293340200372123,0.6025015096082508,0.2863435051066719,0.5336057777645041,0.5063829469787928,0.3947530438602889,6.561415290251723,11.680998822737404,23.659515958760117,0.4037522644123761,1.434741768603586,3.210871592449229,1.2724281719655033,0.21718645952212198,0.6830935012846372,0.2707013937166252,0.35189166993014714,0.23231408085452868,0.03495652987783822,4.700486223936854,5.059315473605736,10.647139450376095,0.5246402519269557,0.6191622806625141,3.496011252692342,1.5054553564348194,0.4139716444687738,0.6455638655598992,0.27799326406042457,0.4172078168050348,0.32519261124941096,0.12707614990541985,5.415438253595935,7.333554223458123,14.927762030113502,0.46834579833984885,0.8694765779598657,3.9338719069794843,1.8629929097944136,0.7159651431508531,0.6040188260995126,0.28604967752235594,0.5283778225545074,0.4978949952643919,0.380402141233289,6.512829959924751,11.479128619109876,23.239106358065033,0.406028239149269,1.4066749590521883,3.627138091763187,1.6125643326567465,0.5044332644436826,0.631450628646406,0.28073228419431123,0.4491181437827073,0.373097219347155,0.18872891155819882,5.744135688863616,8.492073715061593,17.186636297111768,0.44717594296960905,1.010944274688061,4.014321815606108,1.9286480050697168,0.7714285296639455,0.5978676876392015,0.2872406289347013,0.5502370069275585,0.5335748240121925,0.44167741203309646,6.714398350339771,12.326790231977716,25.013753160600174,0.3968015314588023,1.5254892429728475,3.942802890638703,1.8683425337822346,0.7199704207105724,0.6036951394114051,0.28606789070736716,0.5307812166098056,0.5007460516050315,0.384682140730587,6.5311158451315094,11.550359158930494,23.385141674926697,0.40554270911710755,1.416209408945424 +UMLCN0089,L,tert-butyltetralin,CC(C)(C)C1CCCC2=CC=CC=C12,Aromatics,Cyclic,C14H20,NREL (2014),Unknown,PubChem,,17,0,2.467499999999998,6.08855624999999,63.6509,37.975859999999976,6,6,34,14,20,0,14,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2040.0189739999976,2406.103575,3573.430246000003,3757.0735650000056,3298.291938000004,2452.7714520000022,1028.3288429999996,185.92761600000003,9.144576,6550.911513109218,8647.485853650318,13361.948495513028,16067.40398019864,15280.017503749712,12585.786031470388,7729.61734666718,2620.1891736834364,279.75369987837234,239.93650400000016,255.46037999999993,474.2771440000002,665.6311560000008,835.8492240000024,704.4636000000017,605.3342520000006,354.15014399999995,60.46617599999999,47.93685809698003,64.10438620000001,102.32457277818787,130.04598205303682,131.2283992679027,110.72182572031872,76.48502864426194,31.147047913959955,4.001516143641,5473.474025744981,4964.366295608002,9908.40918508379,14100.841269266326,19242.045631256267,15981.964705467011,14450.891039984866,9234.17665352476,1664.258868218241,63.645833333333336,78.16666666666667,125.93055555555556,175.29166666666657,193.62499999999991,172.83333333333337,135.75,64.0,9.0,60.00055805882346,68.74581642857143,54.14288251515156,40.39864048387103,27.716738974789948,24.52771452000002,11.819871758620684,3.5755310769230775,1.016064,192.67386803262406,247.0710243900091,202.45376508353073,172.7677847333187,128.40350843487153,125.85786031470388,88.84617639847333,50.388253340066086,31.08374443093026,7.056956000000005,7.298867999999998,7.186017333333337,7.157324258064525,7.02394305882355,7.044636000000017,6.957864965517248,6.810579692307692,6.718463999999999,1.409907591087648,1.8315538914285716,1.5503723148210284,1.3983438930434067,1.102759657713468,1.1072182572031872,0.879138260278873,0.598981690653076,0.444612904849,160.98453016897002,141.83903701737148,150.12741189520895,151.62194913189597,161.69786244753166,159.8196470546701,166.102195861895,177.58032026009155,184.917652024249,1.871936274509804,2.2333333333333334,1.9080387205387206,1.8848566308243717,1.6271008403361338,1.7283333333333337,1.5603448275862069,1.2307692307692308,1.0,0.061193993039549366,-0.005437905191194283,-0.0018378424482864615,-0.021530908120779044,0.007782233047661433,-0.020843530486602965,-0.023880134724737927,0.02208292358880704,0.013068167815357395,997.0141917647047,41.891352595154395,229.56461222145194,-583.5465416505211,135.30906888235262,-532.4390914844294,-443.2105104567462,469.18314906574597,184.74086494463714,1853.9904636171277,77.89875897550922,426.8851991857922,-1085.1297125288497,251.6129914908956,-990.0932265787269,-824.1688699608912,872.4661005257076,343.5335270819973,0.1953082352941172,0.008206228373704709,0.04497013148789157,-0.11431276124567193,0.026506117647057972,-0.10430116262975792,-0.08682189619377378,0.09190975778546376,0.03618946712802685,8.288199992874123,0.348243697179603,1.9083754605441436,-4.851034701711593,1.124827141890054,-4.426177391152519,-3.684418316160019,3.900329408411322,1.5357547045619626,45.02163390487408,1.8916652901203717,10.36632578986137,-26.350897491382618,6.110078887090219,-24.043065837434767,-20.013818769477197,21.18665124935308,8.342243929432684,5.621119281045748,-1.0129577566320678,2.766520088427527,-3.5821138504421373,1.3160743464052314,-1.4969603037293338,-2.8503640426758987,1.2044646289888554,0.8447772491349494,0.0017998233246926283,-1.5536871974840808E-4,-2.7846097701310022E-5,-2.3151514108364564E-4,6.53969163669028E-5,-2.0843530486602964E-4,-2.744843071808957E-4,4.2467160747705846E-4,0.0014520186461508217,29.323946816608963,1.1968957884329827,3.4782517003250293,-6.274693996242163,1.1370509990113666,-5.324390914844294,-5.0943736834108755,9.022752866648961,20.52676277162635,54.529131282856696,2.225678827871692,6.467957563421094,-11.668061425041396,2.1143948864781144,-9.900932265787269,-9.473205401849325,16.778194240878992,38.1703918979997,0.005744359861591683,2.3446366782013455E-4,6.813656286044177E-4,-0.0012291694757599132,2.2274048442905858E-4,-0.001043011626297579,-9.979528298134919E-4,0.0017674953420281493,0.004021051903114094,0.2437705880257095,0.009949819919417228,0.028914779705214298,-0.05216166345926444,0.009452328923445831,-0.04426177391152519,-0.042349635817931254,0.0750063347771408,0.17063941161799584,1.3241657030845317,0.054047579717724906,0.15706554227062683,-0.28334298377830774,0.05134520073185058,-0.24043065837434768,-0.23004389390203675,0.4074356009490977,0.9269159921591871,0.16532703767781612,-0.02894165018948765,0.041916971036780715,-0.038517353230560616,0.01105944828911959,-0.014969603037293338,-0.03276280508822872,0.023162781326708758,0.09386413879277217,-0.08632442841296202,-0.015471572859000226,-0.12863214844889484,0.036335186609536364,-0.11580875856335841,-0.15250625070534177,0.23595183018843438,0.8067562111402216,0.04081632653061101,0.11861471861471805,-0.21397849462365692,0.03877551020408159,-0.18157142857142888,-0.17372742200328378,0.3076923076923094,0.7000000000000025,0.04081632653061206,0.11861471861471855,-0.21397849462365623,0.03877551020408159,-0.18157142857142863,-0.1737274220032841,0.3076923076923079,0.7000000000000003,0.04081632653062371,0.11861471861472493,-0.21397849462365112,0.038775510204080474,-0.1815714285714292,-0.1737274220032888,0.3076923076922971,0.6999999999999854,0.04081632653061435,0.11861471861471973,-0.21397849462365479,0.03877551020408144,-0.18157142857142833,-0.17372742200328453,0.3076923076923053,0.6999999999999966,0.04081632653060387,0.11861471861471413,-0.21397849462365948,0.03877551020408268,-0.1815714285714279,-0.17372742200328026,0.307692307692316,0.7000000000000112,-0.17505696948304478,0.25353972118261214,-0.2329767337005213,0.06689437157080065,-0.09054540169325243,-0.19816967356589185,0.14010280261506664,0.5677482649613036,1.2206695092680369,0.9170232450106562,1.113091687759655,0.8140237183930941,1.1426614174720553,1.1651259615887692,0.7342802895710239,0.3946675657075009,1.1448979591836757,0.9714285714285733,1.2710829493087583,0.9091836734693897,1.1420357142857167,1.0593596059113322,0.4623626373626381,0.0,1.144897959183673,0.9714285714285709,1.2710829493087548,0.9091836734693871,1.1420357142857134,1.0593596059113293,0.4623626373626374,0.0,1.1448979591836743,0.9714285714285721,1.271082949308758,0.9091836734693891,1.1420357142857163,1.059359605911331,0.4623626373626378,0.0,1.144897959183673,0.971428571428571,1.2710829493087532,0.9091836734693861,1.142035714285712,1.0593596059113286,0.46236263736263716,0.0,1.1448979591836737,0.9714285714285711,1.2710829493087545,0.909183673469387,1.1420357142857134,1.0593596059113293,0.4623626373626372,0.0,1.4001193893494326,0.6337705751971227,1.2601087029142555,0.8081828421932343,1.135209113040951,1.2420446330012576,0.6773904123564387,0.0,70.92720011559476,35.26032619372962,50.153924877284055,70.92720011559476,5.06622857968534,35.26032619372962,-1.4210854715202004E-14,0.1905358898792548,0.013609706419946771,-2.3210805853813445,89.58455950043161,6.398897107173687,6.293256169377477,70.92720011559476,35.26032619372962,50.153924877284055,70.92720011559476,5.06622857968534,35.26032619372962,-1.4210854715202004E-14,0.1905358898792548,0.013609706419946771,-2.3210805853813445,89.58455950043161,6.398897107173687,6.293256169377477,70.92720011559476,35.26032619372962,50.153924877284055,70.92720011559476,5.06622857968534,35.26032619372962,-1.4210854715202004E-14,0.1905358898792548,0.013609706419946771,-2.3210805853813445,89.58455950043161,6.398897107173687,6.293256169377477,70.92720011559476,35.26032619372962,50.153924877284055,70.92720011559476,5.06622857968534,35.26032619372962,-1.4210854715202004E-14,0.1905358898792548,0.013609706419946771,-2.3210805853813445,89.58455950043161,6.398897107173687,6.293256169377477,70.92720011559476,35.26032619372962,50.153924877284055,70.92720011559476,5.06622857968534,35.26032619372962,-1.4210854715202004E-14,0.1905358898792548,0.013609706419946771,-2.3210805853813445,89.58455950043161,6.398897107173687,6.293256169377477,70.92720011559476,35.26032619372962,50.153924877284055,70.92720011559476,5.06622857968534,35.26032619372962,-1.4210854715202004E-14,0.1905358898792548,0.013609706419946771,-2.3210805853813445,89.58455950043161,6.398897107173687,6.293256169377477,94.99895746405767,46.30075480491553,68.29403271266149,94.83250338242499,6.773750241601785,46.30075480491553,-0.38839285714291805,0.33410309576949787,0.02386450684067842,-1.5348279291319158,128.64905471285704,9.189218193775503,6.799923467340798,0,11.850000000000003,12.150172447925994,-0.1995702301651081,0.10111280119831113,7.057671875000004,10.967445343637442,15.0,35.0,32.0,29.0,9.0,3.0,0.0,0.0,0.0,6.0,21.864139999999995,3.8947000461628605,3.4789504608418564,3.188612811933611,2.760873214735735,2.535611978315818,2.333552793103047,2.333552793103047,2.300611215294966,2.0816458666719444,1.8176861800008124,1.636560342240116,1.2511120563384022,1.2496297225843556,1.2496297225843547,0.993427593790778,0.9384492238542674,3.905501552389613,3.4998286016565983,3.218455915630981,2.789070455952195,2.5606241242455092,2.4054545878412883,2.4054545878412883,2.344382749053975,2.049854936359002,1.7642494034145162,1.571935776770426,1.1721985593968027,1.134540685948351,1.1345406859483507,0.9148674399613095,0.8493322848694945,3.955501653397741,3.594982631103772,3.351512865699132,2.9228297513364074,2.704236987233521,2.7042369872335192,2.6801348267779868,2.5382910462611754,1.9660465357894594,1.6146388165965833,1.3782656416744328,0.9513073300586414,0.7603185604308997,0.7603185604308975,0.7059855272850925,0.5768000830460491,3.9135821420143873,3.5153883594456703,3.2405672030424753,2.8103851574351735,2.5795392932218464,2.4575399160416938,2.457539916041692,2.376793023829127,2.0305467736377425,1.7308897411668747,1.5303553336949507,1.1227172021498009,1.0582626705327116,1.058262670532711,0.8666407454195401,0.7916765241439149,3.981601802874176,3.6433210394049613,3.4167893564423344,2.9932221449067535,2.8389820851496514,2.8389820851496497,2.7444176550256203,2.6318849486898173,1.942406785092476,1.5703519389230167,1.317607452875625,0.8874941537789637,0.6483075135159476,0.6313372621875608,0.6313372621875606,0.48921082063649574,3.931175689328462,3.525388567700299,3.2335238718666237,2.867423200373636,2.615685194660138,2.615685194660135,2.602359963602774,2.4087438979183173,2.055808366155453,1.6878423741715967,1.4977798681739043,1.0961179273829997,0.8955486758888058,0.895548675888804,0.8088431044472546,0.6811556278987367,0,0,0,4,2,3,3,1,1,0.0,0.0,0.0,0.15137471507731048,0.23728382326827402,0.0,0.0,0.0,0.07880881408576065,0.12012044576331966,1.7866259641368174,0.2886751345948129,0.4697072947697198,0.11785113019775793,1.6534828823497034,0.2886751345948129,0.36966969126932536,0.10206207261596577,2.6033538713616506,4.1843412626944145,5.924469706804937,2.038385061166179,2.9189208405223934,3.7218310202552125,10.181798275874714,6.588334963116932,6.611813452144378,4.687112673244683,4.013746019702374,3.263736003584816,1.8282661986855737,1.2650350382019204,0.7272713054196224,0.4392223308744621,0.30053697509747174,0.17359676567572901,0.11467845770578212,0.07770800008535277,0.05223617710530211,0.03614385823434058,9.508071689507775,5.666502219436388,5.509653508614336,3.41480885427351,2.6534708901338324,1.9542469501216266,0.9939937205892122,0.6317523925905956,0.6791479778219839,0.3777668146290925,0.2504387958461062,0.12647440201013,0.07581345400382378,0.046529689288610156,0.028399820588263205,0.018050068359731303,19.418278037858727,32.878368536052434,31.254901960784323,31.599999999999984,21.98554491017966,257.2533293413174,0.5711258246429037,0.9670108392956598,0.9192618223760095,0.9294117647058818,0.6466336738288135,7.566274392391688,4.152600000000004,61.57600000000005,101.98584492346467,137.80149249867452,203.97168984692934,14.569406417637808,101.98584492346467,0.2294896256337765,0.016392116116698323,-2.0606564365987636,79.28979880802333,5.663557057715953,6.122353271806498,141,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,7.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,3.0,0.0,0.0,4.0,1.0,0.0,0.0,0.0,2.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.161712962962964,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.447263321995465,0.0,2.0544033446712016,0.0,0.0,1.447263321995465,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.082638888888889,0.0,4.002199074074074,0.0,0.0,8.976597222222221,0.7568981481481478,0.0,0.0,0.0,3.1851157407407413,0.0,0.4132175925925926,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5821064814814816,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.33534722222222224,0.0,0.2546159297052154,0.0,0.0,0.33534722222222224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3608796296296295,0.0,1.2805092592592593,0.0,0.0,2.1705092592592594,0.7568981481481478,0.0,0.0,0.0,1.5821064814814816,0.0,0.4132175925925926,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.323819444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38517998866213154,0.0,0.35930555555555554,0.0,0.0,0.38517998866213154,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3608796296296295,0.0,1.3616203703703704,0.0,0.0,2.323819444444444,0.7568981481481478,0.0,0.0,0.0,1.6030092592592595,0.0,0.4132175925925926,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.416666666666668,1.744047619047619,0.38517998866213154,2.3608796296296295,0.04166666666666663,0.4132175925925926,8.732705694444444,0.8367824074074074,0.3608796296296296,4.1184722222222225,0.8367824074074074,0.3608796296296296,4.1184722222222225,7.0,0.5,0.0,0.0,0.46471,0.7,0.44,0.44,0.7,0.02471,0.02471,-0.0,0.0,0.71429,0.0,0.0,0.21429,0.21429,0.07143,13.5,0.96429,7.5,0.53571,6.0,0.42857,-1.5,-0.10714,0.0,0.0,14.32628,1.02331,20.06447,5.73819,0.40987,4.63389,0.33099,6.58832,1.95443,0.1396,0.32568,0.02326,0.49768,0.03555,0.29411764705882354,43.0,0,0,0,0,0,0,0.5714285714285714,0.9774178175281716,2.4770249735396495,3.4614565908049193,3.755574237863743,3.873221296687272,3.9320448260990366,33.23220579595783,84.21884910034808,117.68952408736726,127.68952408736726,131.68952408736726,133.68952408736723,0.19212284158678056,0.48688807188041766,0.6803895573916764,0.738201802166036,0.7613267000757798,0.7728891490306516,4.110045023722169,2.6104378677106905,1.6260062504454207,1.3318886033865969,1.2142415445630679,1.1554180151513034,0.18624834566108736,0.4720006073243712,0.6595854424318411,0.7156299754985392,0.7380477887252185,0.749256695338558,6.779077412629033,20.106386853403944,23.68491578969377,24.627933444282007,25.393099622634946,25.452383448046707,53.28296504458375,32.385114455624205,25.72245188975939,23.650423667553223,22.379115438803087,22.19749997755307,10.515555555555556,3.8677685950413223,2.1728395061728394,4,6,3,3.0,1.7349999999999997,1.5000000000000004,4.691577960905023,3.120125734577856,3.0,8.737028660947072,10.127365819889253,2.0318649002029145,2.381101577952299,1.6509636244473134,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.184,0.179,0.561,0.844,6.606,22.0,27.0,35.0,42.0,35.0,35.0,29.0,24.0,12.0,290.0,2.9444389791664403,3.481240089335692,3.926911617921897,4.429327595291846,4.875674308662139,4.783316371371566,4.963063137853916,5.035124633995613,4.943203703176257,4.342993403944672,6.862332875036796,3.2917025862068967,0.5,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,3.0,0.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.06666666666666667,4.0,0.26666666666666666,1,3.0,6.0,1.0,3.5,2.0000000000000004,1.3125,0.8933333333333338,0.37500000000000006,0.12000000000000001,0.0,0.0,0.0,0.0,0.23333333333333334,0.09090909090909093,0.0625,0.049629629629629655,0.03125000000000001,0.04,0.0,0.0,0.0,0.0,0.507622053872054,39.84502360289905,56.33538486827092,79.69004720579812,5.692146228985581,39.84502360289905,0.010412344800898622,7.437389143499015E-4,-6.390668447346429,146.05075379937716,10.432196699955512,6.9775358660872415,0.0,207.1779499589336,4.807354922057604,4.31748811353631,5.153291594497779,6.056784013228625,6.918695219020472,7.821242083523558,8.691986481789401,9.591444479171411,10.466326711254153,11.363369214569707,99.38062791059141,3.4339872044851463,0.0,4.77912349311153,0.0,6.336825731146441,0.0,7.989899374942939,0.0,9.690974793577944,9.895808141192258,188.15650064,5.534014724705882,28.146402983539602,2.0104573559671146,0.0,0.0,0.0,272.0,21.0,5.641000000000001,74.0,1.2591370635798282,2.1914643760606274,3.0078861346711623,3.655395096733405,4.448970428177228,5.125117791343001,5.831999474114838,6.459049443966057,0.0,0.0,97.77767263883648,130.26219350604828,128.9602949684297,112.92818621828287,117.09279978039493,62.452397281687006,20.475273101995136,6.562807614233928,0.0,0.0,337.30503664981615,474.6330594506866,539.8954083942065,503.4832594062823,584.9501527218824,465.96313125773156,291.0191081148449,200.77144218298315,0.0,0.0,9.226168905316712,15.809216106943154,21.570084487584758,25.756444010075775,31.407135641264958,35.70515987529618,39.70572088528372,43.394891163505974,0.0,0.0,2.4483787684383556,3.579870830243193,4.32637018483368,4.24215303820278,5.085495657096827,4.586517272213444,3.4705095507080235,2.8717767358450668,0.0,0.0,176.36009584359647,324.7201183321595,453.1267030462196,585.1768182012822,706.1702680863335,847.7240557373752,1036.7297332607827,1194.3922574867343,0.0,0.0,2.878057818511283,4.333316665523368,5.759942173508257,6.114144247256883,7.805036542530405,8.090977099434724,7.143834016022608,6.459049443966057,0.0,0.0,0.5035968839779393,0.7423835731899555,0.9066725914855202,0.8986641925304738,1.0818364794252058,0.9955113255804368,0.777705179115869,0.6614066630621243,0.0,0.0,372.71226923658566,247.93709677818939,12.653472048687863,113.21514525374214,-75.31341665523696,-6.623407516785708,259.4971239828435,323.25051343342636,19.27687956547357,0.7670122288274484,0.5102348403994491,0.026039839843075424,0.23298777117255162,-0.154989025952015,-0.013630446275052761,181.111109338957,120.47943239366376,6.148668956944524,55.01434281429782,-36.59685383171209,-3.2184952897474814,0.09327114351416634,0.09242697241253056,0.656144898979052,1.1975619000288569,485.9274144903278,0.0,1.0,0.0,1024.2750419002537,32.00429724115581,10.080270743062073,1218.8650127104286,34.91224731681461,10.68198270055146,2131.0516428652727,46.16331490334368,12.868600682710596,1.321410816266714,1.321410816266714,1070.7104531043262,724.401381322656,483.5827598337277,1.4780624122352695,2.214120398900228,1.4979884344341183,4.907729734218328,4.385899773556843,7.984661612982556,0.8205298855945397,5.9046507175458025,11.140024162055383,5.02261506072195,34.24991071499308,8.637180708235492,15.2714513170185,20.192109132051716,16.903286297199035,12.74852212794383,10.99377210515545,16.12443985608766,7.338773112921171,5.082898613448183,0.7197319899132683,0.9781360012540692,2.926057057429319E-12,1.690670455703111E-45,1.8841307661721961E-100,4.049850801641148E-177,1.6789699040531128E-275,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4955391313812546,9.225772810727191,0.5491530782135495,16.827730118023727,1.3109824804646453,3.7105976263509506,4.0574756653501804,2.517998905369079,2.262419179707446,1.5772761092239262,1.6659990829330613,0.12353927131561163,0.1399630164006934,0.005069131450712651,0.006889091834401532,2.0608459105364554E-14,1.1907530257669028E-47,1.3270087042640258E-102,2.8523430333164484E-179,1.1825122315699148E-277,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5996541121417043,9.369997996452131,1.2991303521283988,19.210912383626013,2.2537857035360203,5.610598367779098,6.436470813195509,4.7942298401767784,3.9149518835662573,3.220608163686801,3.5545170151766343,0.7232253188205121,0.6406728087289346,0.05282425649321017,0.07178964843218726,2.1475603308338743E-13,1.240856460389968E-46,1.3828453827520018E-101,2.9723613575195577E-178,1.2322689174681343E-276,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.573508777906295,10.93562646364937,4.691035261149239,32.768348870063846,7.993173906170471,14.40103648134011,18.880864266971987,15.789103231913979,11.933965982396046,10.318679419633687,14.863335870999148,6.58818886974928,4.600494069124516,0.6412682454226931,0.8715015672043424,2.6070641587770406E-12,1.5063569379741315E-45,1.6787265916311722E-100,3.608344152601386E-177,1.4959319571053616E-275,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3575944362718175,9.542199271182298,1.8624093523678409,21.19519697164883,3.065077853306804,7.051418190647852,8.341088861100792,6.552792203707917,5.19423271326002,4.431478326829772,5.166480242213196,1.3941315639524985,1.1353039566313998,0.11474134334656765,0.1559367094033335,4.664788009815937E-13,2.695306043431255E-46,3.0037249563024564E-101,6.456366055156951E-178,2.6766527526806314E-276,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.130720276316951,11.995835657370986,6.315839883989533,40.20665556800512,11.243626087089604,18.678902583373223,25.41436200016147,21.293756013503508,15.96043627466131,13.605313818489483,21.220624394992306,10.468550588706096,7.073176686745698,1.0496614651025895,1.426519431069184,4.267379222816105E-12,2.46568396777436E-45,2.7478276488892555E-100,5.906326782845398E-177,2.4486198128290853E-275,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.546261300340522,8.201341452921561,2.519454144990311,23.909086175376682,4.1859507828610445,8.972105224898607,11.423879044751308,9.306678749437062,7.602102808931879,6.408029001192249,8.262989087854177,2.7199789073587257,2.116507809917724,0.2366214604189938,0.32157521344913564,9.619801557255772E-13,5.558303875614696E-46,6.194330364295922E-101,1.3314422885009696E-177,5.519836756630252E-276,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.370911809976093,3.0844664241362025,0.8357873806176856,0.5271769993607155,0.3720184311185846,0.49885571816427166,0.47883301559354347,0.3383933394234696,8.29116561472998,19.713041766534477,39.272234944013874,0.34879314571895015,1.3160820731812848,3.5859246692267295,2.2067298636972255,0.3661021236292288,0.5822481499429192,0.3583076888334546,0.3226333112169536,0.24531462939013599,0.06509970010591035,6.158756656553184,10.033870182505158,19.089654103094595,0.41083375816456064,0.6330476407129999,3.856692104825565,2.5300594921202926,0.5341315664621558,0.5572543292186477,0.36556887789945425,0.37690637466713944,0.32473291910663726,0.1384626980574643,6.920883163408013,13.169026103080679,25.301783737267016,0.3842348106771529,0.8401019918312411,4.346743702663209,3.0600755759044893,0.8220945348768054,0.5282281235661314,0.3718687113850796,0.4925274077224934,0.47177864492794275,0.32742662056075844,8.228913813444505,19.390469888967,38.55436254989347,0.35014525242681654,1.2917326732111944,3.9930785594774356,2.684576370812452,0.6163185543381662,0.5474490094998004,0.36805403480971777,0.40672687867880036,0.36589396798819185,0.18426679174336985,7.293973484628054,14.835286980576342,28.736025478002965,0.37325456646427724,0.956887638410362,4.4485466877944155,3.1617744705090063,0.8794702235142364,0.5239877504318586,0.3724207496170621,0.5195960307929196,0.5012532172065557,0.37457796101426366,8.489791381817659,20.758352198444015,41.618157300877634,0.3446127500733812,1.395427209013739,4.36037780474045,3.0628497264720362,0.8240720507290509,0.5287037000920916,0.3713760723787114,0.4946006753566636,0.47320849012967936,0.3289365532085307,8.247299581941537,19.472456301238648,38.72538807422624,0.3501196587062044,1.2967457186948737 +UMLCN0090,L,2-phenylundecane,CCCCCCCCCC(C)C1=CC=CC=C1,Aromatics,,C17H28,NREL (2014),Unknown,PubChem,,51,0,-0.36789999999999967,0.13535040999999975,69.00269999999999,48.59020399999997,6,6,45,17,28,0,17,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2480.939848999997,2791.4885210000007,3372.704683000002,3318.4418580000006,2910.879735000002,2565.880309,2189.5542589999964,1942.3370499999953,1742.532128999996,8070.132173804647,10412.41258811313,14333.560990166754,15385.15575876702,14375.162030691,13078.780123063469,11335.338771678376,9807.426472379304,8707.376894131366,316.30576400000007,327.4824680000002,600.3275320000013,823.2106320000023,821.5428120000024,797.7474760000022,712.6876280000014,607.8952720000005,524.8549799999998,59.860461335772044,78.59054067999998,116.00444047788585,131.67703626850678,125.98203779335563,116.61496786275164,101.90851897820471,87.54358706911081,77.1882194951679,7333.198310208973,6442.935389491204,12807.189827407385,18808.620118585077,18919.399797765123,18639.868955117625,16759.669452874605,14298.388802935915,12264.680691824571,78.55555555555556,95.63888888888889,151.0,186.91666666666669,184.0,174.08333333333331,153.0,130.75,115.5,55.13199664444438,62.03307824444446,40.1512462261905,28.362750923076927,24.87931397435899,22.507722008771932,21.46621822549016,22.32571321839075,23.233761719999947,179.33627052899217,231.38694640251398,170.6376308353185,131.49705776723948,122.86463274094872,114.7261414303813,111.13077227135663,112.7290399124058,116.09835858841822,7.029016977777779,7.277388177777782,7.146756333333348,7.035988307692327,7.021733435897456,6.997784877193001,6.987133607843151,6.987301977011501,6.998066399999998,1.3302324741282676,1.746456459555555,1.3810052437843554,1.125444754431682,1.0767695537893645,1.0229383145855406,0.9991031272373011,1.0062481272311588,1.029176259935572,162.9599624490883,143.17634198869342,152.46654556437363,160.75743691098356,161.70427177577028,163.5076224133125,164.31048483210398,164.34929658547028,163.52907589099428,1.7456790123456791,2.1253086419753084,1.7976190476190477,1.5975783475783478,1.5726495726495726,1.5270467836257309,1.5,1.5028735632183907,1.54,0.0852049670703554,-0.004369214521759418,-0.030128294064087843,-0.005959581270700773,-0.011812062633472198,0.0022453997153284297,1.2801739935530384E-4,0.004437917135926458,-1.2855830035562402E-4,1280.6093396444426,-1.6129320101754274E-12,-318.89683555852025,-6.994924964445346,-187.24876058666763,-69.59053554370405,-15.962777482962984,61.160754176296734,7.174282014815297,2381.347751046002,2.7000623958883807E-13,-593.0022831036113,-13.007361665378099,-348.19706611933293,-129.40657246580702,-29.683466364580468,113.73103404855473,13.340883759361084,0.25086257777777765,3.2699537522162814E-15,-0.06246970074073801,-0.0013702577777775795,-0.03668074666666672,-0.013632308148148998,-0.0031269985185196423,0.01198097185185084,0.0014053925925919782,10.64573243529164,2.425837308805967E-14,-2.6509961162392734,-0.058148958680167506,-1.556602893899795,-0.578507588920624,-0.13269890570602985,0.5084306387163002,0.05963995762067578,57.82778754892718,-8.038014698286133E-13,-14.400252977870847,-0.31586606644382653,-8.455491624801088,-3.142462404619355,-0.720822561884113,2.761803298905569,0.3239651963526724,6.355555555555545,0.21666666666666856,0.3511111111111141,1.181111111111114,-0.8911111111111083,-0.6322222222222198,-0.6466666666666647,-0.09666666666666567,-0.3999999999999987,0.0018934437126745644,-9.709365603909818E-5,-3.5867016742961716E-4,-5.0936592057271564E-5,-1.0095780028608716E-4,1.9696488730951138E-5,1.2550725426990571E-6,5.101054179225814E-5,-1.7141106714083204E-6,28.457985325432055,-3.584293355945394E-14,-3.7963908995061937,-0.05978568345679783,-1.6004167571510053,-0.610443294243018,-0.1564978184604214,0.7029971744401924,0.09565709353087062,52.91883891213338,6.000138657529735E-15,-7.059550989328706,-0.11117403132801794,-2.9760433001652387,-1.135145372507079,-0.2910143761233379,1.3072532649259165,0.17787845012481446,0.005574723950617281,7.266563893813958E-17,-7.436869135802144E-4,-1.171160493826991E-5,-3.1351065527065574E-4,-1.1958165042235963E-4,-3.065684822078081E-5,1.3771232013621654E-4,1.8738567901226376E-5,0.23657183189536976,5.390749575124371E-16,-0.031559477574277066,-4.969996468390385E-4,-0.013304298238459786,-0.00507462797298793,-0.0013009696637846064,0.0058440303300724165,7.951994349423438E-4,1.2850619455317152,-1.7862254885080296E-14,-0.17143158306989104,-0.002699709969605355,-0.07226915918633409,-0.027565459689643464,-0.007066887861608951,0.03174486550466171,0.004319535951368966,0.14123456790123434,0.004814814814814857,0.004179894179894216,0.010094966761633455,-0.007616334283000925,-0.005545808966861577,-0.006339869281045732,-0.0011111111111110996,-0.005333333333333316,-0.0512788710798007,-0.1894274252932406,-0.02690156127499645,-0.05331967336038749,0.010402468580979925,6.628517839203244E-4,0.026940616956710968,-9.052873660485376E-4,-1.2595035505701163E-15,-0.13340336134453876,-0.0021008403361347278,-0.0562378797672919,-0.021450685537372984,-0.005499258526940203,0.02470298464213293,0.003361344537815357,1.1338379263181465E-16,-0.1334033613445376,-0.002100840336134579,-0.056237879767291776,-0.02145068553737315,-0.0054992585269404565,0.024702984642132535,0.0033613445378150573,1.3034840752983548E-14,-0.13340336134453204,-0.0021008403361341505,-0.056237879767291644,-0.02145068553737419,-0.005499258526942168,0.024702984642130638,0.0033613445378136582,2.2786946070183767E-15,-0.13340336134453695,-0.0021008403361345656,-0.05623787976729186,-0.021450685537373358,-0.005499258526940752,0.02470298464213227,0.0033613445378148066,-1.3899917390900171E-14,-0.13340336134454472,-0.002100840336135163,-0.05623787976729134,-0.02145068553737136,-0.005499258526938102,0.02470298464213471,0.0033613445378165704,0.03409090909090944,0.029595404595404898,0.07147660032275446,-0.05392684238838077,-0.03926665439823326,-0.04488893459481688,-0.007867132867132798,-0.0377622377622377,1.289584665613474,1.2019042183644375,0.9454935955414888,0.9779644861087831,0.9143711483114563,0.9127490876544767,0.8839756935408523,0.9245218851429404,1.2941176470588265,1.2627551020408192,0.9954751131221743,1.0310277957336804,0.9669394073418863,0.9379634206623848,0.9084323384526244,0.9428571428571451,1.2941176470588214,1.262755102040814,0.9954751131221703,1.0310277957336764,0.9669394073418826,0.9379634206623811,0.908432338452621,0.9428571428571414,1.2941176470588223,1.2627551020408159,0.995475113122172,1.0310277957336782,0.966939407341884,0.9379634206623818,0.9084323384526215,0.942857142857142,1.2941176470588245,1.2627551020408156,0.9954751131221711,1.031027795733677,0.9669394073418833,0.9379634206623821,0.9084323384526225,0.9428571428571433,1.2941176470588227,1.2627551020408148,0.9954751131221705,1.0310277957336766,0.9669394073418827,0.9379634206623813,0.9084323384526214,0.942857142857142,1.2435897435897454,0.9340659340659355,0.8095003287310991,0.9771531886916516,0.9345479082321203,0.9134615384615399,0.8720159151193647,0.9653846153846168,157.97124499479634,78.98562249739818,126.45545934700988,157.97124499479636,9.292426176164494,78.98562249739818,4.263256414560601E-14,0.3283788376487297,0.01931640221463116,-1.8930984852378776,120.59814332520305,7.094008430894298,8.147188611063987,157.97124499479634,78.98562249739818,126.45545934700988,157.97124499479636,9.292426176164494,78.98562249739818,4.263256414560601E-14,0.3283788376487297,0.01931640221463116,-1.8930984852378776,120.59814332520305,7.094008430894298,8.147188611063987,157.97124499479634,78.98562249739818,126.45545934700988,157.97124499479636,9.292426176164494,78.98562249739818,4.263256414560601E-14,0.3283788376487297,0.01931640221463116,-1.8930984852378776,120.59814332520305,7.094008430894298,8.147188611063987,157.97124499479634,78.98562249739818,126.45545934700988,157.97124499479636,9.292426176164494,78.98562249739818,4.263256414560601E-14,0.3283788376487297,0.01931640221463116,-1.8930984852378776,120.59814332520305,7.094008430894298,8.147188611063987,157.97124499479634,78.98562249739818,126.45545934700988,157.97124499479636,9.292426176164494,78.98562249739818,4.263256414560601E-14,0.3283788376487297,0.01931640221463116,-1.8930984852378776,120.59814332520305,7.094008430894298,8.147188611063987,157.97124499479634,78.98562249739818,126.45545934700988,157.97124499479636,9.292426176164494,78.98562249739818,4.263256414560601E-14,0.3283788376487297,0.01931640221463116,-1.8930984852378776,120.59814332520305,7.094008430894298,8.147188611063987,196.18834912012855,97.52189968517597,159.1176502879866,195.94792236118957,11.526348374187622,97.52189968517597,-0.3715686274510972,0.3794332704783893,0.022319604145787608,-1.6474301060555723,117.30580884427144,6.900341696721849,8.10013326868546,0,11.849999999999998,12.15022023160324,-0.20991255369143852,0.09033861919969888,5.130701342174068,9.535789669801462,17.0,45.0,42.0,39.0,11.0,3.0,0.0,0.0,0.0,6.0,30.609795999999992,3.8035475438753505,3.509136361917901,3.353524746213519,3.14296346356226,2.857273893584564,2.61918191383972,2.514661610197624,2.4370994233306496,2.010548047199836,1.9139056150960867,1.787763804372854,1.6384583765266987,1.467055669698722,1.2543619921366458,1.0822503020169476,1.050051238178273,3.815617847631797,3.5370160304458236,3.3827190580168476,3.176048254054976,2.8981813911262573,2.6458150318986804,2.560502438750243,2.4813790725731666,1.97504510600521,1.8562940527991083,1.7248578123809182,1.5665782882179304,1.3800247325300858,1.1519666873562997,1.0071675921888013,0.9471983836943055,3.871065339833837,3.6588365146022173,3.511818299631086,3.323043197582584,3.080651828681132,2.785460131756861,2.771820215479789,2.6519368809149717,1.8826905486381622,1.68298048472965,1.537651956486339,1.3525480354367323,1.117229684674965,0.8313193155474958,0.7986202314843527,0.6848048502243392,3.8246237653743784,3.557517363925566,3.4042789878744752,3.200525784523741,2.9285193306716124,2.6659250192640362,2.596276926532165,2.5120004973052845,1.9536861347034975,1.8191944632412471,1.6845439258523962,1.520491115375275,1.32388996837605,1.0849448766072765,0.9602789912487913,0.8849075495675592,3.8998140222905047,3.7176173756124076,3.5748292590870543,3.395036017883906,3.1697887667468265,2.896801096789569,2.838078587645887,2.7327141675367157,1.8566016879901153,1.6281020272897306,1.4790393466701979,1.2856383778989509,1.0342167149988721,0.7385642758080618,0.7270926091654331,0.6103014282001377,3.9314058922390847,3.5099048960155788,3.3934096445463138,3.2165684593181805,2.9571992895748425,2.840714498628726,2.656571229491299,2.628816710560058,1.916427371828648,1.8191142692227078,1.6559419540561264,1.4712096083540855,1.2588560597369918,1.0058951954759296,0.7827919067390109,0.7677375840761504,0,0,0,5,1,2,8,1,0,0.0,0.0,0.0,0.10206207261596577,0.05892556509887897,0.0,0.0,0.0,0.032075014954979206,0.018518518518518517,0.4023689270621825,0.0,0.11785113019775793,0.0,0.30034919009686917,0.0,0.06804138174397717,0.0,1.0202200572599402,1.3249579113843055,1.5303300858899103,0.6554173654129483,0.738827601310943,0.7646535929817728,12.347088693804373,8.342535255101097,6.28536945870246,4.717587105472109,3.362324270217193,2.3962510313013197,1.290855434315641,0.8502726311360956,0.726299334929669,0.49073736794712336,0.3308089188790769,0.2246470050224814,0.1528329213735088,0.10418482744788346,0.0717141907953134,0.05001603712565268,11.620955864630139,7.392064077957809,5.221726650968023,3.6092983228581215,2.3558690050151943,1.5306999448041914,0.8805168466118019,0.5517955490625857,0.6835856390958905,0.43482729870340053,0.2748277184720012,0.1718713487075296,0.10708495477341792,0.0665521715132257,0.04891760258954455,0.03245856170956386,24.585589253002198,43.42971595047345,41.15686274509802,41.64000000000001,28.179762874251537,342.6236550898204,0.5463464278444933,0.96510479889941,0.9145969498910671,0.9253333333333335,0.6262169527611453,7.613859001996008,5.930800000000006,77.46700000000007,105.14102942866495,158.9461226611038,210.28205885732987,12.36953287396058,105.14102942866495,0.12142977254829035,0.007142927796958256,-3.5843126179473517,148.49886119237294,8.735227128963114,8.500981392107706,342,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,11.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,8.0,0.0,0.0,5.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.41024553241392,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8913297108361937,0.0,2.7259561154356984,0.0,0.0,1.8913297108361937,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.63289292247355,0.0,11.228304315121768,0.0,0.0,10.911650175933913,0.7285572299907616,0.0,0.0,0.0,1.4985953564800067,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4985953564800067,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3556308403947744,0.0,0.20977242801044002,0.0,0.0,0.3556308403947744,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.279305353186576,0.0,1.3450308641975308,0.0,0.0,2.1011413435365527,0.7285572299907616,0.0,0.0,0.0,1.4985953564800067,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.255867948840081,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.40495937358319767,0.0,0.35930555555555554,0.0,0.0,0.40495937358319767,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.353587569286974,0.0,1.4380535084404131,0.0,0.0,2.255867948840081,0.7285572299907616,0.0,0.0,0.0,1.4985953564800067,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,29.000000000000004,1.7058823529411766,0.40495937358319767,2.353587569286974,0.08271417372810769,0.7285572299907616,11.28539171904358,0.6047761033425717,0.35358756928697405,3.0890861968149266,0.6047761033425717,0.35358756928697405,3.0890861968149266,8.5,0.5,0.0,0.0,0.45111,0.7,0.43333,0.43333,0.7,0.01778,0.01778,-0.0,0.0,0.71429,0.0,0.0,0.11765,0.11765,0.0,14.5,0.85294,8.5,0.5,6.0,0.35294,-2.5,-0.14706,0.0,0.0,17.48476,1.02852,23.23324,5.74849,0.33815,6.38621,0.37566,8.34252,1.95631,0.11508,0.07148,0.0042,0.15748,0.00926,0.13333333333333333,17.0,0,0,0,0,0,0,0.6470588235294118,0.9564574047992593,2.0860485199255656,2.972206918879583,3.818870595993136,4.178088307912702,4.174939209022119,43.04058321596667,93.87218339665046,133.74931134958123,171.84917681969114,188.0139738560716,187.87226440599534,0.17415932072882298,0.3798441952716684,0.5412029176210074,0.6953701289907719,0.7607793279658208,0.7602059151604623,4.535395691530415,3.405804576404109,2.519646177450092,1.6729825003365386,1.3137647884169725,1.3169138873075559,0.17125583290411656,0.37351164303362916,0.5321802820512757,0.6837773029810004,0.7480960359847013,0.7475321828003376,6.795811890646572,15.720910220555487,20.36232911964443,23.722972772876012,24.389145695576598,24.08182763419614,66.04131713193046,48.834248642557924,38.12609064063937,28.596873226102623,25.904894760236633,26.84182578036741,15.058823529411764,9.97229916897507,7.111111111111111,11,6,11,3.33,2.2663000000000015,0.09999999999999998,5.106677748996739,1.0920483450836267,0.0,19.638865584648318,7.9337770217167325,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.15099999999999997,0.14400000000000002,0.514,0.649,8.182,19.0,21.0,22.0,23.0,18.0,17.0,14.0,13.0,12.0,193.0,3.044522437723423,3.349904087274605,3.7074558396868715,4.062595863907521,4.43896801107402,4.0375537278753555,4.1067670822206574,3.796892698174515,3.7741966885207425,3.7509735839097313,6.192745851565057,2.5294689119170983,0.46153846153846156,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,0.5294117647058824,11.0,0.6470588235294118,1,7.0,13.0,0.8571428571428571,1.5,1.1111111111111116,0.5625,0.2711111111111112,0.20833333333333334,0.10122448979591836,0.07465277777777779,0.05744520030234315,0.04562500000000001,0.020610141822263034,0.08823529411764706,0.058479532163742715,0.03125,0.01807407407407408,0.016025641025641028,0.009202226345083487,0.007465277777777779,0.0063828000335936835,0.005703125000000002,0.002944305974609005,0.2588228173699125,84.09400662520558,132.4906592879722,168.1880132504112,9.893412544141835,84.09400662520558,0.23011223539598624,0.01353601384682272,-2.497619785469839,159.81470503707212,9.400865002180712,8.625825586031972,0.0,271.422362537334,5.08746284125034,4.290459441148391,5.030437921392435,5.7899601708972535,6.55250788703459,7.324489979348532,8.098338846189057,8.878079256126435,9.659184203386292,10.444386409308262,100.06784411483126,3.5553480614894135,0.0,4.709530201312334,0.0,6.052089168924417,0.0,7.48605261786314,0.0,8.972717499397138,9.235228087483963,232.219100896,5.160424464355556,33.525878421908544,1.972110495406385,0.0,0.0,0.0,688.0,18.0,7.9940000000000015,72.0,1.2426511942435778,2.1629333545036538,2.9180588630207382,3.670251756021118,4.710930584490671,5.7696483127235005,6.9574350932919,8.112280185114237,9.27615929853352,10.416436484194165,87.92304103755006,95.60293883777216,94.17001403072224,110.80754763291665,125.1990599657516,145.25805790967146,177.8559522989529,212.34599196695436,241.05494229444656,270.6681989031547,312.85485048731056,392.81893813565887,414.23313680040263,509.53793638486565,598.4214872371689,706.4287255283157,852.7789313446661,1014.2865151276583,1154.5748985412345,1295.8443747826072,9.07793379181281,15.506625826336252,20.592286046986484,25.916082152138593,33.1103765997733,40.47772667020587,48.78556501729754,56.951829570315894,65.11005269798505,73.10981678091895,2.3076240626979154,3.1280414048422527,3.4640960417316924,4.318520987287706,5.182497782845044,6.175190771518255,7.431432086919273,8.804333832950176,10.034909532462212,11.262603512322245,175.75920406833254,326.350853218555,464.84562062300586,582.9268448037791,759.7052461226475,935.9454646884903,1130.8443713804002,1313.2821913893433,1502.6285700733722,1687.6583264159804,2.713328289361072,3.9922771943962734,4.788420157400549,6.028419188420283,7.450326623120673,8.936960139491951,10.770944745189283,12.835773917759116,14.86402333148931,17.161985624883968,0.476079296762013,0.6549260354206885,0.7327833364333944,0.9152335532486908,1.1029263706168333,1.3165204819601737,1.5838338631932194,1.874837268361053,2.1373758465238346,2.398893388525238,495.8435899019962,450.5519604713712,16.689958763905867,85.16294815198158,-77.38394532231617,-5.095020601241526,410.6806417500146,527.9359057936874,21.784979365147393,0.8534217042768121,0.7754679697416987,0.028725939676698276,0.1465782957231879,-0.13318945700939236,-0.008769299943347932,288.0883675852151,261.7736347669041,9.696975161680594,49.48022967625323,-44.960578172677224,-2.9602402808410355,0.06827381573317218,0.07183816166288803,0.8503307923510611,0.6890600588235645,581.0065380539778,0.0,1.0,0.0,1161.4552078678798,34.08012922316874,10.511567623002588,1433.753779625961,37.864941299650276,11.276081130610159,2108.108458941873,45.914142254232225,12.822252265729757,3.5431859876071554,3.5431859876071554,5401.13659039325,5278.263086209027,278.8286271602565,1.0232791549374007,19.370810828864254,18.93013332226949,7.348914383929789,8.302825165497975,16.293560920257043,0.9624116605470894,8.217627949829385,11.541091472332294,6.719525568446263,49.040540817171795,18.594935913955155,8.682736261580091,11.094097042698719,16.26859154467594,32.25399755983173,8.365103304590228,6.486073817147312,27.690246410245848,8.478783759816844,28.51114576536945,5.609308008048079,5.325275429673364,13.308191113677625,10.552778704508379,17.33839279899182,5.937584584711833,8.241333987650304,5.744892949230015,7.769760766757729,2.696325744645565,6.528019473167494,3.806642158268091,4.706109618385015,2.0158565887478015,2.212189719197901,0.45579463866184994,0.6897580888754655,11.358819629275791,0.5110283589158445,13.26092087277782,1.641564899797062,1.4118041779232346,1.9781847907447343,1.904409250856782,8.418265721399864,0.7458071687932459,1.3837359603659105,2.7768217465281064,1.3355582251229368,5.798839789685389,1.2255885783971299,0.4422861133443154,2.560666220053259,1.2654445325730808,3.452171788396084,0.4961570431448351,0.5804834201493023,1.632881331557463,1.2021047673872765,0.5601153420832748,0.37574406156599305,0.7859884214403658,0.6098332403320489,0.36675762615947904,0.13923584764469674,0.018870088163972842,2.2263566579759573,11.371000361056115,1.6838745862743987,16.139177998555674,2.8771017188489036,2.385401580590727,3.699843870462049,3.867910281754358,11.77389340402792,1.813824415967556,2.1228981254073376,6.638707596567872,2.239533931433396,9.38432639695783,1.7590155283461615,1.166543496655209,4.045670528547019,2.4091184913124466,5.4590533105388985,1.2507625096480144,1.6249304906384785,2.246420385723064,2.094688888733068,0.8116059614581854,1.2787422078568662,1.3075606529668193,1.2387659432944866,0.7027075817232824,0.4799840525242267,0.07368603181224741,7.756777095224629,11.521079962246683,6.306035928146306,45.284675094583676,16.769928691542027,8.056997617400864,10.486820946746876,15.046591065659584,30.260690414715942,7.726284833664197,6.066756677102823,25.732239386284384,7.845455232878477,26.749054530431106,5.213094283935228,4.929953288707835,12.399487272710964,9.718157681736427,16.195513582827036,5.478485817969341,7.588632534391186,5.413274382274591,7.209200888464988,2.500258864148972,6.026568231463915,3.58810936135815,4.3820363776100155,1.914664216984847,2.0561395754209775,0.4168875793312598,3.281183450545199,11.386792443772169,2.517038066614911,19.428922823079375,4.38590983740652,3.2053399779922467,4.923008432731374,5.503370217836973,14.525703630565657,2.6916574647226392,2.720078933707499,9.653046294114954,3.024611321018233,12.157589275728935,2.232498691097225,1.7446239354346587,5.275535236039015,3.417519647802596,7.08244382465292,1.874510719449267,2.4961003499455585,2.734643429463163,2.840444680530468,1.03904472574801,2.003379439417116,1.6938133601419099,1.7320318723999046,0.9335245325936432,0.7383590842292755,0.1215205257415618,9.923951296697446,11.625236956368866,8.2884260136511,64.72428675470783,26.245847752978104,11.204642297128519,13.398437350672829,21.182146204195824,40.24074797896265,10.92607446227235,8.16005658379285,35.431305413881375,11.04628632612647,35.457368657006135,7.221468124839618,6.898417890420474,16.957418024804557,13.94509251769675,21.90238382354638,7.780459768945834,10.8665822195874,7.063429706365675,10.02521822522321,3.496404601733142,8.526383900285603,4.65393298611075,5.989236032559067,2.390794030837198,2.823065567759053,0.6136554297653364,4.817237950501338,9.582032848656546,3.839584606887246,24.52516719799812,7.536421282943581,5.019939870423724,6.799223318693475,8.40421502986882,17.748617586804663,4.347884565353716,3.8329506206058506,13.764443252840183,4.466040648299951,15.3932461942851,3.1813082948799907,2.7958161684906284,7.651822122779428,5.257105431329737,9.435086270841229,3.0807294406199777,3.9575272457538078,3.843713090745716,4.296871995757076,1.5889771090161025,3.408681865155545,2.574126071469031,2.811524214326554,1.4371437515991181,1.3127565661410436,0.22662524225139474,23.056624369024373,1.4564882268346957,0.7563501431058842,0.9124303356664393,0.05763827438202012,0.555887703621832,0.37141274914228656,0.4154450720826039,25.269462738964954,52.12219816388261,102.79118597395679,0.8686455034996589,1.3427455248467226,22.942782989128894,0.8684468130725688,0.3357555082988326,0.9501303245151785,0.035965020142490645,0.5500277930904014,0.13345038536207027,0.08281168720527826,24.146985310500295,27.919338335382996,58.75611340446349,0.9251954867727678,0.7662898656577499,22.982982066581766,1.0901201200284236,0.49325362187835203,0.9355470646826802,0.04437451482534291,0.5519936817281054,0.21007980871038262,0.17804667309073752,24.56635580848854,36.92835601242638,73.85279222334562,0.9033205970240205,0.9401201635292256,23.053251338427263,1.4406792440405938,0.7449155972559824,0.91340353573483,0.05708181878765892,0.5557019442590221,0.36363154842762263,0.40312308068125446,25.23884617972384,51.45825163990881,101.43748843657917,0.8701053036022451,1.3224565733678992,23.00288667790448,1.1938126265120312,0.5673346968359629,0.9288828579681758,0.04820751847019966,0.5530111651409406,0.2515391937565954,0.23506800929488056,24.764034001252476,41.188763626609855,81.5324532142102,0.8933242869522638,1.0396183681924165,23.06739955492996,1.5064266171677203,0.7925224354433118,0.9093701230642398,0.05938681362755871,0.5564855235318754,0.3964387211098959,0.45560865522204114,25.366348607540992,54.22465324446077,107.13063712657795,0.8640551845963597,1.4085328998638125,23.134022777008436,1.4469208685313193,0.7467621019167775,0.9133880110452409,0.05712798794168803,0.5595890214228602,0.3667829563311478,0.40504573606140987,25.32770574745653,51.8292174729735,102.1533659798841,0.8700820165678613,1.331417713815418 +UMLCN0091,L,7-phenyltridecane,CCCCCCC(CCCCCC)C1=CC=CC=C1,Aromatics,,C19H32,NREL (2014),Unknown,PubChem,,41,0,-0.7885000000000009,0.6217322500000013,76.53229999999999,54.77737599999996,6,6,51,19,32,0,19,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2773.532346999997,3128.4451150000023,3760.1217570000053,3833.021325000003,3723.046340000005,3737.185556000005,3593.937499000005,3400.2289620000024,2961.340215000002,9041.500955027052,11718.392857093866,16160.655213491436,17623.87986211643,17482.405320616806,17659.309425849176,17266.8762685308,16353.32915686851,14896.275985034934,358.2606519999999,371.03402800000026,685.7865480000011,949.0041480000024,949.3796000000021,969.9341600000022,969.1121080000022,926.3826000000024,863.4502680000023,67.21671295516799,88.62251791999996,131.37982076758385,150.7265182721483,150.38902539245026,152.3917955121483,150.04750841699723,142.35981827214803,131.32544084305374,8326.45763048597,7309.014292522804,14655.594225339077,21771.99734135068,21734.73532435088,22257.693176112272,22315.81647204652,21391.614273080686,19901.725292665207,87.05555555555556,106.22222222222221,169.08333333333334,209.16666666666666,209.24999999999997,215.33333333333331,215.58333333333331,207.33333333333337,198.75000000000003,54.382987196078375,61.34206107843141,39.16793496875005,28.392750555555576,27.57812103703707,27.081054753623224,26.0430253550725,25.759310318181836,24.07593670731709,177.2843324515108,229.77240896262484,168.34015847386914,130.54725823789948,129.4992986712356,127.96601033224042,125.12229180094782,123.88885724900388,121.1079348376824,7.024718666666664,7.275177019607848,7.143609875000011,7.029660355555573,7.032441481481498,7.028508405797117,7.022551507246392,7.018050000000018,7.0199208780488,1.3179747638268233,1.7376964298039208,1.3685397996623319,1.1164927279418393,1.1139927806848167,1.1042883732764368,1.0873007856304147,1.0784834717586973,1.067686510919136,163.26387510756803,143.31400573574126,152.66243984728206,161.27405438037542,160.99803943963616,161.2876317109585,161.70881501482987,162.0576838869749,161.8026446558147,1.7069716775599129,2.082788671023965,1.7612847222222223,1.5493827160493827,1.5499999999999998,1.5603864734299515,1.5621980676328502,1.570707070707071,1.6158536585365857,0.09392664650239951,-0.004507154131098033,-0.03802280284800697,-0.003572281250025216,-0.0037554999067334876,0.002830264106900707,-0.002995172574654442,0.007581909574076095,-0.004767501201844139,1443.2967347450992,-1.1155520951433573E-12,-399.92277944175413,120.08854410611272,-46.0804878546718,-40.77424985928515,-71.63421293771651,-22.90060608535172,-266.7082781891584,2683.871909236225,-6.153300091682468E-12,-743.6734856862022,223.30977572979535,-85.68863487305896,-75.82145873616093,-133.20687784811918,-42.58465490660978,-495.95543214407445,0.28273192156862725,1.3686968225457008E-15,-0.07834212687427784,0.02352452133794706,-0.009026851211072329,-0.007987395617070014,-0.01403265051903077,-0.00448607151095713,-0.05224632064590497,11.998156180160649,2.248201624865942E-14,-3.32456649574109,0.9982985985814707,-0.3830680668975495,-0.3389571985881369,-0.5954967221771004,-0.19037322112485006,-2.2171515387100307,65.1741747956272,-1.0698109065288008E-12,-18.05909796968715,5.4227738316793825,-2.080831819133006,-1.8412208823843303,-3.2347476461065545,-1.034110358599344,-12.043602347102205,6.741830065359481,0.3921568627450981,-0.15618992695117073,0.9513648596693602,-0.6385044213763884,-0.7066512879661607,-1.2932525951557032,-0.16839677047289092,-0.33650519031141346,0.0018416989510274414,-8.837557119800065E-5,-3.960708630000726E-4,-2.6461342592779378E-5,-2.7818517827655464E-5,2.050916019493266E-5,-2.1704149091698854E-5,5.743870889451587E-5,-3.876017237271658E-5,28.299935975394103,-2.1873570493007007E-14,-4.165862285851605,0.8895447711563905,-0.34133694707164297,-0.2954655786904721,-0.5190884995486704,-0.1734894400405433,-2.1683599852777107,52.624939396788726,-1.2065294297416603E-13,-7.746598809231273,1.654146486887373,-0.6347306286893256,-0.5494308604069633,-0.9652672307834723,-0.32261102201977104,-4.032157984911175,0.005543763168012299,2.683719259893531E-17,-8.160638216070608E-4,1.7425571361442266E-4,-6.686556452646169E-5,-5.7879678384565325E-5,-1.0168587332630994E-4,-3.398539023452371E-5,-4.2476683451955256E-4,0.23525796431687546,4.408238480129298E-16,-0.03463090099730302,0.00739480443393682,-0.0028375412362781445,-0.0024562115839720064,-0.004315193638964495,-0.0014422213721579549,-0.01802562226593521,1.2779249959926902,-2.0976684441741193E-14,-0.18811560385090784,0.040168695049476906,-0.01541356903061486,-0.013342180307132828,-0.023440200334105467,-0.007834169383328364,-0.09791546623660329,0.13219274637959766,0.007689350249903884,-0.0016269784057413618,0.007047147108661928,-0.00472966238056584,-0.0051206615070011645,-0.009371395617070313,-0.001275733109643113,-0.0027358145553773453,-0.04798589430085626,-0.21505733213298178,-0.014367897955318487,-0.015104812766568691,0.011136000367210434,-0.01178485174224083,0.031187892495932703,-0.021045878508587506,-7.729194338823022E-16,-0.14720394736842127,0.03143274853801159,-0.012061403508772056,-0.010440503432494336,-0.018342391304347876,-0.006130382775119593,-0.07662066752246474,-2.2926951433511486E-15,-0.14720394736842177,0.03143274853801185,-0.0120614035087717,-0.010440503432494036,-0.018342391304347512,-0.0061303827751193075,-0.07662066752246416,4.840970255328875E-15,-0.14720394736841874,0.031432748538011875,-0.01206140350877149,-0.01044050343249384,-0.018342391304347356,-0.006130382775119357,-0.07662066752246409,1.8737892648733967E-15,-0.1472039473684202,0.031432748538011465,-0.012061403508772106,-0.010440503432494499,-0.018342391304348112,-0.006130382775119941,-0.07662066752246482,-1.6414644449024597E-14,-0.14720394736842904,0.03143274853801097,-0.012061403508772925,-0.01044050343249499,-0.01834239130434815,-0.006130382775119594,-0.07662066752246496,0.05816771691711098,-0.012307622394570858,0.05330963537458942,-0.0357785318037375,-0.03873632742523516,-0.07089190499272865,-0.009650553033974994,-0.020695648061666908,1.3129363704734072,1.2420971893621213,0.9115269235936709,0.9301338622657707,0.9311403738043835,0.9841825723181824,0.9750934809579456,1.0923654091039987,1.3157894736842106,1.288805509868421,0.9630847953216375,1.00968567251462,1.0029319221967965,1.0029319221967965,0.984973086124402,1.0570442875481387,1.3157894736842088,1.2888055098684195,0.9630847953216362,1.0096856725146186,1.002931922196795,1.002931922196795,0.9849730861244006,1.0570442875481372,1.3157894736842095,1.2888055098684215,0.9630847953216378,1.0096856725146204,1.002931922196797,1.002931922196797,0.9849730861244024,1.0570442875481392,1.3157894736842084,1.2888055098684168,0.9630847953216344,1.0096856725146168,1.0029319221967934,1.0029319221967934,0.9849730861243987,1.0570442875481352,1.315789473684211,1.2888055098684208,0.9630847953216373,1.0096856725146197,1.002931922196796,1.002931922196796,0.9849730861244016,1.0570442875481383,1.2360639844886083,0.9849884876393594,0.7950485628624255,0.9049209170391908,0.95242611365185,1.0255748277097507,0.9879147754814254,1.1054230755589178,175.14808501456093,87.57404250728047,121.98775704208231,175.14808501456093,9.21832026392426,87.57404250728047,1.4210854715202004E-14,1.4520980891676528E-16,7.642621521935015E-18,-69.28986883659525,9000042.48277462,473686.44646182214,30.424205725635527,175.14808501456093,87.57404250728047,121.98775704208231,175.14808501456093,9.21832026392426,87.57404250728047,1.4210854715202004E-14,1.4520980891676528E-16,7.642621521935015E-18,-69.28986883659525,9000042.48277462,473686.44646182214,30.424205725635527,175.14808501456093,87.57404250728047,121.98775704208231,175.14808501456093,9.21832026392426,87.57404250728047,1.4210854715202004E-14,1.4520980891676528E-16,7.642621521935015E-18,-69.28986883659525,9000042.48277462,473686.44646182214,30.424205725635527,175.14808501456093,87.57404250728047,121.98775704208231,175.14808501456093,9.21832026392426,87.57404250728047,1.4210854715202004E-14,1.4520980891676528E-16,7.642621521935015E-18,-69.28986883659525,9000042.48277462,473686.44646182214,30.424205725635527,175.14808501456093,87.57404250728047,121.98775704208231,175.14808501456093,9.21832026392426,87.57404250728047,1.4210854715202004E-14,1.4520980891676528E-16,7.642621521935015E-18,-69.28986883659525,9000042.48277462,473686.44646182214,30.424205725635527,175.14808501456093,87.57404250728047,121.98775704208231,175.14808501456093,9.21832026392426,87.57404250728047,1.4210854715202004E-14,1.4520980891676528E-16,7.642621521935015E-18,-69.28986883659525,9000042.48277462,473686.44646182214,30.424205725635527,215.19246968056805,106.99268401943814,151.8877752717524,214.92118620873043,11.311641379406867,106.99268401943814,-0.39649122807034587,6.224098368584307E-16,3.2758412466233195E-17,-66.52457250322158,9000041.281786228,473686.3832519067,30.424205472094712,0,11.849999999999998,12.15025325270944,-0.209908170876814,0.09037864068448578,5.17470141601563,10.71960089132106,19.0,51.0,48.0,45.0,13.0,3.0,0.0,0.0,0.0,6.0,34.982623999999994,3.8125747996966624,3.4937125982553887,3.421506727835284,3.236471208909117,3.00265747089264,2.7928540760275813,2.619181913839718,2.467333287052969,2.02337655334401,1.8747734570800483,1.8684747113146118,1.7010286074516556,1.5834447961863884,1.3818700251493994,1.2071495361084903,1.082250302016946,3.8247908782964837,3.5197129205612065,3.452213254340697,3.2676132478851736,3.043184898903449,2.8302874277423173,2.645815031898685,2.5046498186579726,1.987151069294923,1.8204023025411693,1.804245371111892,1.6336824956165483,1.50212741398614,1.2953683704984675,1.1026144370402482,1.007167592188802,3.8810473597090636,3.634007490636228,3.5863289502299893,3.4055816001698345,3.219946988469685,3.0022253333972335,2.7718202154797904,2.7254312457942467,1.8928739487841377,1.6567604855468119,1.6129087563996625,1.43322642636898,1.2547948059219727,1.037478012138339,0.7986202314843572,0.7732169511762239,3.833912129909551,3.538874289924481,3.474789313473893,3.2906274523706367,3.0729926577731974,2.8583407531057743,2.6659250192640394,2.5321755716600025,1.9653184426382044,1.7853729432391496,1.7631312886426502,1.590511972386055,1.4495904567601636,1.239784040640675,1.0341031421020426,0.9602789912487936,3.9103146292536177,3.6894379966515833,3.6510511851582095,3.473023203022844,3.304628607290366,3.088478730214351,2.840981219286793,2.8380785876458847,1.8663490128040134,1.605083071011198,1.5524969158163573,1.3705185531023838,1.1754724100799536,0.9578022645194073,0.7385642758080622,0.6639926693818153,3.9442723706124667,3.5177879398190877,3.4529748202840094,3.3015464884873795,3.099734904104717,2.912589852975706,2.8545635270577256,2.627661061427379,1.9446886087083035,1.766257674060279,1.7261124968561423,1.5356706616258713,1.3993371680620528,1.170645451806373,0.9494182782505403,0.7953411314165907,0,0,0,5,1,2,10,1,0,0.0,0.0,0.0,0.10206207261596577,0.05892556509887897,0.0,0.0,0.0,0.032075014954979206,0.018518518518518517,0.3333333333333333,0.0,0.08333333333333333,0.0,0.2405626121623441,0.0,0.048112522432468816,0.0,0.9428090415820635,1.4999999999999996,1.8856180831641258,0.6179846864976637,0.8980185862001157,1.029974477496106,13.76130225617747,9.38054005756188,6.856840364490406,5.173433276375333,3.88791932123707,2.9116315953181973,1.7434793654530267,1.2996461760604294,0.7242790661146037,0.49371263460852005,0.3265162078328765,0.21555971984897218,0.14399701189766925,0.09705438651060658,0.06457330983159358,0.04641593485930105,13.035169427003234,8.430068880418595,5.806277640330904,4.083255508911966,2.8379031514203263,1.9521507036153765,1.2086495567194857,0.8596956903376889,0.6860615487896439,0.443687835811505,0.27648941144432876,0.17013564620466526,0.10510752412667876,0.06507169012051255,0.04476479839701799,0.030703417512060318,27.66924486057394,49.20538965768396,46.60784313725486,47.16000000000003,31.77687185628747,388.68016526946116,0.5425342129524302,0.9648115619153718,0.9138792772010756,0.9247058823529418,0.6230759187507348,7.621179711165905,6.711000000000007,86.70100000000008,113.40893170813402,149.5286917559236,226.81786341626804,11.937782285066739,113.40893170813402,0.2444164613976283,0.0128640242840857,-2.6768752292883544,141.44088770533182,7.444257247649043,9.408575562626991,331,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,13.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,10.0,0.0,0.0,5.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.736088907785335,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8011706629009119,0.0,3.2500403631761854,0.0,0.0,1.8011706629009119,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.582196026176004,0.0,13.880870394836844,0.0,0.0,11.170813964474679,0.8008446712018138,0.0,0.0,0.0,1.5652749433106579,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5652749433106579,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3328939121945075,0.0,0.2171452052086522,0.0,0.0,0.3328939121945075,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.291098013088002,0.0,1.339785367850844,0.0,0.0,2.1336566200554294,0.8008446712018138,0.0,0.0,0.0,1.5652749433106579,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.323718348450491,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.39278945856732655,0.0,0.35930555555555554,0.0,0.0,0.39278945856732655,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.291098013088002,0.0,1.4115015589569162,0.0,0.0,2.323718348450491,0.8008446712018138,0.0,0.0,0.0,1.5652749433106579,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,32.0,1.6842105263157894,0.39278945856732655,2.323718348450491,0.04878897392290246,0.8008446712018138,12.663575562920222,0.5324886621315195,0.3237183484504913,3.5060199813013657,0.5324886621315195,0.3237183484504913,3.5060199813013657,9.5,0.5,0.0,0.0,0.44902,0.7,0.43333,0.43333,0.7,0.01569,0.01569,-0.0,0.0,0.71429,0.0,0.0,0.10526,0.10526,0.0,15.5,0.81579,9.5,0.5,6.0,0.31579,-3.5,-0.18421,0.0,0.0,21.3607,1.12425,27.66962,6.30891,0.33205,7.42422,0.39075,9.38053,1.95631,0.10296,0.03347,0.00176,0.11947,0.00629,0.11764705882352941,19.0,0,0,0,0,0,0,0.6842105263157895,0.9526092095121206,2.0092778036153995,2.8915892658342135,3.725676076968667,3.8934242448499172,3.7645239908184283,48.58306968511815,102.47316798438537,147.47105255754488,190.00947992540202,198.56463648734578,191.99072353173983,0.16793684395695083,0.3542184660851013,0.509762419337408,0.6568047796771493,0.686377344809042,0.6636533341327395,4.719816132459376,3.6631475383560965,2.7808360761372826,1.946749265002829,1.7790010971215788,1.9079013511530678,0.16553046591336504,0.34914284646920374,0.5024580002210575,0.6473933809423819,0.6765421988503232,0.6541438020123258,6.793558663561659,15.161115120406729,20.051538191481562,23.104523646031605,22.086046980422413,23.14367554605037,74.00050679941695,55.798583608259385,42.05920238643633,32.820134289691126,35.23690031625182,32.67894618781401,17.05263157894737,11.795918367346939,8.0,13,6,13,3.55,2.5481000000000034,0.08333333333333334,5.104383435940938,0.6172133998483676,0.0,26.318437206679274,10.967362895835823,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.15099999999999997,0.14400000000000002,0.514,0.649,9.180000000000001,21.0,24.0,27.0,30.0,27.0,28.0,25.0,20.0,15.0,255.0,3.1354942159291497,3.417726683613366,3.7784916128036232,4.160834303490933,4.5558486306553805,4.303220141738605,4.478756261132433,4.444120764469677,4.358310108056566,4.221344252983408,6.492239835020471,2.5843137254901962,0.5,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.0,0.5789473684210527,13.0,0.6842105263157895,2,6.0,12.0,1.0,1.5,1.1111111111111116,0.5625,0.2711111111111112,0.23611111111111113,0.16163265306122448,0.11805555555555555,0.09019904257999495,0.07125000000000002,0.04122028364452607,0.07894736842105263,0.052910052910052935,0.026785714285714284,0.01355555555555556,0.011805555555555557,0.008506981740064446,0.006558641975308642,0.006013269505332997,0.007125000000000002,0.008244056728905214,0.2273966411219867,92.51078453115576,126.9244990659576,185.02156906231153,9.737977319069028,92.51078453115576,9.246076126956382E-16,4.866355856292833E-17,-65.77260823485477,9000042.48277462,473686.44646182214,30.424205725635527,0.0,306.0143317890679,5.247927513443585,4.394449154672439,5.14166355650266,5.910796644040527,6.688354713946762,7.4770384723196965,8.27052509505507,9.07004328643746,9.872358017339208,10.678053416757233,105.50328235707104,3.6635616461296463,0.0,4.812184355372417,0.0,6.154858094016418,0.0,7.598399329323964,0.0,9.102643796520809,9.360655132635051,260.2504010240001,5.102949039686276,37.57696503670376,1.977735001931777,0.0,0.0,0.0,838.0,21.0,9.131999999999998,80.0,1.243476543940412,2.1626837496913276,2.9123537037070157,3.671997638634667,4.720979677392946,5.614318507933735,6.622304196729642,7.507680988862557,8.35299315815051,9.040349231945234,87.25227676532849,93.3504090730995,94.87831986897896,121.75018281665743,146.83615531945478,167.3561196273485,190.77593737089208,199.1717835165815,172.432933899012,128.62010631231027,311.35898373998015,387.5402410320346,412.44200527599685,537.4050548715732,658.2190615447576,765.9547230830567,879.4561495363191,966.9324830867525,933.8804421481043,827.563781211209,9.08163000061915,15.497687892461572,20.535567299845372,25.976992423066708,33.303496914208836,39.583179022712976,46.61492702741517,52.85460575425382,58.47795725121562,62.804331526577776,2.299913166461298,3.099299851070372,3.440578359025615,4.478581981484051,5.543068651431376,6.501311264102857,7.506455480744568,8.383481716696194,8.456619117802683,7.9812474958877075,176.02120341456734,326.75778640549566,465.33021129769145,579.9172057152649,752.6665914628562,896.4581790318797,1063.0993950930983,1203.5810963095187,1362.751497951698,1510.8586173649144,2.661925287998332,3.90544254843204,4.636581775740958,5.964053223030572,7.600525098702307,9.080036924953541,10.730949974563144,12.551441208155659,13.617060925573998,13.610118264620171,0.474616144201776,0.6493878803130779,0.7276582111436911,0.9464182764502729,1.1738738624618767,1.3785758309420453,1.593575819446123,1.783779328098802,1.812859177735812,1.7292856203510847,539.6452454746718,547.1873360767157,17.69211670344394,86.95552128516584,-88.1708130446695,-5.275602037131093,452.68972418950597,635.3581491213852,22.967718740575034,0.8612265961070965,0.873263112820991,0.028235070306297495,0.13877340389290327,-0.1407129032104479,-0.008419399268231528,338.1421245927302,342.86800434694317,11.085893891982506,54.48639631128631,-55.247899059628224,-3.3056962815861053,0.061182532124053876,0.06437655140464857,0.7295272986607594,0.5709247150932957,626.6007667598378,0.0,1.0,0.0,1285.6183461601793,35.85552044190935,10.873533256813525,1596.6650622454117,39.95829153311502,11.68793911944864,2468.9299934701844,49.688328543735345,13.515628892601983,2.686726552275705,2.686726552275705,4480.40144233755,2541.8475437440916,2133.4575527923485,1.7626554564079036,2.100065893728907,1.1914216621826983,8.362752946654386,7.791327505206502,12.711982483022002,0.6315554024044433,9.3332290050216,14.131668022473763,7.865096432595456,56.26731004565876,20.70170579968248,9.07461728889473,18.809764055784466,27.38662507333449,33.037902383929215,14.712567919503925,24.247172210027294,35.01587912136712,27.756229496021906,22.094986635760296,21.585232761918537,31.529059288068133,18.786293363862743,14.636993329829869,14.672095060758762,7.435917690316104,5.02149946736712,6.543126327637013,1.7766097295918277,0.2202740021278351,4.630393346458788E-4,1.776005025405568E-27,1.33709919454161E-72,1.973486390323323E-139,5.70089199801931E-228,0.0,0.7833828439729748,13.260654706542924,0.5302591937195997,15.330284076892294,1.6702030395271128,2.5866314324568007,3.521638497190331,3.168402123316147,8.7636819005854,1.2669963141543468,6.114066491521236,3.5711818113517007,5.135406181498454,5.273945233853741,2.433841456151979,5.300162521909074,2.511313556749158,2.834443534416811,1.6787790686873134,1.7815388553735088,0.5025696265189132,0.33957372632133276,0.019148995225447846,0.0015519914949926636,3.2612238944541882E-6,1.2508548609488865E-29,9.417298955453565E-75,1.3899426009724738E-141,4.0151848477110214E-230,0.0,2.52858872163257,13.318858604500315,1.7966315899171643,18.660620990454714,3.0671609393712695,3.4810178989240477,6.40561538261487,6.5136930677316345,12.479774670015289,3.2926872329931545,8.70574132311482,7.690393780795133,8.221795694881251,8.096156732367257,5.05953051743384,8.936130191605992,4.952557584858011,4.307306710723037,2.8857670475913246,2.4234583228091333,1.3183472067912922,1.2342576304237851,0.14744275198763848,0.01616836510389643,3.3984467397051806E-5,1.3034872065254444E-28,9.813551589148564E-74,1.4484273553511454E-140,4.18413218369385E-229,0.0,8.809813549510768,14.036038765408833,7.334404976660588,51.98321916670618,18.656517550228738,8.525325459120294,17.790115097262728,25.338625097119436,31.113608023318626,13.635138978951627,22.744508931298558,32.277433635733466,25.829780832717336,20.848949180449406,19.958732088714644,29.31560560518733,17.478343587919678,13.583221705875946,13.365380898240879,6.908540121601199,4.707130830850822,6.031891833991986,1.5874966924329361,0.19626057208682066,4.1255971082115465E-4,1.5823885032544717E-27,1.1913313098144483E-72,1.7583408440320523E-139,5.079392133984042E-228,0.0,3.7266178448352583,13.394322053722906,2.7344930395742226,22.43905183473703,4.764801395897673,4.222647154889705,8.455643010990284,9.284658601118144,15.39857918397614,4.896698098149651,10.814331402403095,11.200819701204376,10.795091756976944,10.215030506819398,7.243086865264378,11.942190854523217,6.889930645707548,5.596384650844571,4.143443622787887,3.0162164516863608,1.910014290388107,1.9587638659539592,0.3039352298067479,0.03511841320986407,7.381880441616851E-5,2.8313483931729056E-28,2.1316345403435167E-73,3.1461777642856325E-140,9.088494214456543E-229,0.0,11.271200844970922,14.53377591036285,9.92272452630719,74.14810520491389,29.273397170487645,11.281098076215889,22.680123956869288,35.6113911123151,40.660291389865044,18.99054165590673,30.256588934692513,46.078691630793855,35.50396843381842,26.954055552975234,28.12299075158785,40.414524456183386,23.98284921387906,18.914719844418713,20.090781163545962,9.594321774627607,6.22829665136399,8.585257608788536,2.569372918961867,0.3212470265804148,6.752993524160448E-4,2.5901364178083135E-27,1.9500335125535554E-72,2.8781444289315717E-139,8.314215200314445E-228,0.0,5.531948236025306,11.607296116265832,4.323054444637283,28.228193803979185,8.362980504637093,5.42927303466554,11.31659721599819,14.121522651577607,19.050250323197147,7.557259809004789,14.33969384172026,17.095744015764705,15.298235717902623,13.562549510400208,11.114693257913544,17.977346156168338,10.472386956653926,8.839416755221013,7.365900524863558,5.021412608430547,3.225662403938644,3.6525211833400477,0.6567550739413848,0.07765786674570474,1.6323945293668187E-4,6.261111466517677E-28,4.7137969651320436E-73,6.957310419010932E-140,2.0097871203954796E-228,0.0,9.958286609795975,9.233730276128625,0.8369998066185147,0.497192985689781,0.4610176534311033,0.4370926806622611,0.40725737185053595,0.48445766234982424,20.029016692543117,108.01584698937752,205.00878085886004,0.43731595868132656,1.3288077148626214,9.694276988760759,7.8326119794912685,0.3743924823142013,0.5415409514414468,0.4375447646650747,0.4267293664319167,0.29578490777093386,0.09705756406933962,17.90128145056623,82.49344554274333,128.82291353603256,0.4686285741597823,0.8195718382721902,9.63313269344878,8.52018848537978,0.548492504036284,0.5150908279165962,0.45558086664002156,0.40295113772363605,0.34143566684802956,0.20825408727048314,18.701813682864845,92.0330668428084,155.75300956585133,0.45600754183492676,0.9526408918421487,9.919582564913679,9.227502895872451,0.8245244289944469,0.4966841741681277,0.46203100034485156,0.4281820060784342,0.4034995024263922,0.4701525167868525,19.971609889780577,107.32021655004941,202.76300190595038,0.43807276176946897,1.301834025291679,9.6297155657138,8.817089033129617,0.6300326810634543,0.5047857474706525,0.46218819732851757,0.38584769846960365,0.35573287893131816,0.27471686690666436,19.076837279906872,96.5281492650757,169.09857885446698,0.4504609171987552,1.0162974443075863,10.090120550484606,9.243904082356098,0.8764258052197558,0.4992526307816882,0.45738238792283,0.4639579195234787,0.415680308156945,0.5310636390846318,20.21045043806046,110.21694465506582,212.17347617907876,0.43495252805677725,1.4107018667650557,9.940397267736115,9.272493615806606,0.8270550898122933,0.49602914503625933,0.462700529638915,0.4243465078607606,0.4039652565524619,0.4730095001049945,20.039945973355014,108.06238939890679,204.33388058375655,0.4380945120127614,1.301321264518217 +UMLCN0092,L,n-butylbenzene,CCCCC1=CC=CC=C1,Aromatics,,C10H14,NREL (2014),IQT,PubChem,,12,0,0.7455000000000003,0.5557702500000004,46.32299999999999,26.93510199999998,6,6,24,10,14,0,10,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1456.8661059999984,1612.1404419999994,1895.6789149999984,1643.5576169999974,1174.4439899999977,955.5052129999999,648.7734989999999,289.63485700000035,56.556864,4670.341439526318,5841.481646680558,7713.6037950911705,7469.048157504706,5854.287603145162,4680.183514310866,3531.9106278561117,2058.6246149961976,707.6164209295163,169.46365600000004,175.052008,301.19725999999997,380.97305999999986,336.998616,273.3153800000002,210.80593200000015,166.45603600000004,82.21823999999998,34.11358066788599,43.47862034,61.18418517909403,63.16882865728207,51.46149572728208,41.102104057584064,31.743082318490004,20.373242268187987,8.011080478792003,3856.7906892394867,3411.6592288806,6332.307521957995,8603.975729494783,7764.225018086085,6348.860071670186,4832.642899631791,4030.154205222889,2091.831407045592,47.52777777777778,57.666666666666664,85.58333333333333,95.0,79.83333333333333,65.5,53.5,37.5,16.0,60.7027544166666,67.17251841666665,45.13521226190473,30.43625216666662,24.46758312499995,24.500133666666663,21.6257833,12.068119041666682,4.7130719999999995,194.59755998026324,243.3950686116899,183.65723321645643,138.31570662045752,121.96432506552422,120.0047054951504,117.73035426187039,85.77602562484157,58.96803507745969,7.060985666666668,7.293833666666667,7.171363333333333,7.0550566666666645,7.020804500000001,7.008086666666671,7.026864400000005,6.935668166666669,6.851519999999998,1.4213991944952495,1.8116091808333332,1.4567663137879532,1.1697931232830012,1.0721144943183767,1.053900104040617,1.0581027439496669,0.8488850945078328,0.6675900398993336,160.6996120516453,142.152467870025,150.7692267132856,159.33288387953303,161.75468787679344,162.7912838889791,161.08809665439304,167.92309188428703,174.319283920466,1.9803240740740742,2.4027777777777777,2.0376984126984126,1.7592592592592593,1.6631944444444444,1.6794871794871795,1.7833333333333334,1.5625,1.3333333333333333,0.0565372356891214,-0.0010834639408049307,-0.02176053758333855,-0.011914902079300804,-0.002337637690455291,0.009316994645559696,-0.007386389990099288,-8.338020418683506E-4,0.0034739396021790866,706.2183858333335,-4.973799150320701E-14,-156.37692829166681,-45.399753375000074,-80.71067266666674,12.61104260416666,-166.46576237500003,-30.266502250000006,50.44417041666671,1313.2432450621316,2.4158453015843406E-13,-290.7895756923293,-84.42278003970853,-150.08494229281519,23.450772233252316,-309.5501934789312,-56.28185335980573,93.8030889330094,0.13834333333333312,2.237793284010081E-15,-0.03063316666666472,-0.008893499999999985,-0.015810666666667278,0.002470416666665959,-0.03260950000000029,-0.005929000000001101,0.009881666666665703,5.870808328285838,1.3600232051658168E-14,-1.2999647012632796,-0.37740910681837603,-0.6709495232326721,0.10483586300509948,-1.3838333916673777,-0.2516060712122572,0.4193434520204107,31.890324015952487,-1.0791367799356522E-13,-7.061428889246708,-2.0500922581683714,-3.644608458965962,0.5694700717134717,-7.51700494661735,-1.3667281721121949,2.2778802868537924,4.415509259259259,0.25810185185185286,-0.026909722222221724,-0.3272569444444441,-1.0300925925925941,0.18938078703703715,-1.1721643518518512,-0.4745370370370368,0.028356481481480983,0.0023557181537133915,-4.5144330866872115E-5,-5.18108037698537E-4,-2.2064633480186672E-4,-4.8700785217818566E-5,2.3889729860409478E-4,-2.462129996699763E-4,-3.474175174451461E-5,2.894949668482572E-4,29.425766076388896,-2.0724163126336257E-15,-3.7232601974206383,-0.8407361736111125,-1.6814723472222237,0.3233600667735041,-5.548858745833334,-1.261104260416667,4.203680868055559,54.71846854425548,1.0066022089934753E-14,-6.923561326007841,-1.563384815550158,-3.1267696311003164,0.6013018521346748,-10.318339782631039,-2.3450772233252386,7.816924077750784,0.005764305555555547,9.324138683375338E-17,-7.293611111110648E-4,-1.6469444444444417E-4,-3.293888888889016E-4,6.334401709399895E-5,-0.001086983333333343,-2.4704166666671254E-4,8.234722222221418E-4,0.24461701367857658,5.66676335485757E-16,-0.03095154050626856,-0.00698905753367363,-0.013978115067347335,0.002688099051412807,-0.046127779722245923,-0.010483586300510717,0.034945287668367554,1.328763500664687,-4.496403249731884E-15,-0.16812925926777875,-0.03796467144756243,-0.07592934289512421,0.01460179671060184,-0.2505668315539117,-0.056947007171341456,0.18982335723781604,0.18397955246913578,0.010754243827160536,-6.407076719576601E-4,-0.006060313786008224,-0.021460262345679045,0.004855917616334286,-0.039072145061728375,-0.019772376543209867,0.0023630401234567486,-0.01916372329843861,-0.21993634377772536,-0.09366414842711768,-0.020673434613156082,0.10141166430606886,-0.1045171720911787,-0.01474783886593144,0.12289032386659555,-7.042862732115999E-17,-0.12653061224489803,-0.028571428571428612,-0.057142857142857176,0.01098901098901098,-0.18857142857142853,-0.04285714285714286,0.14285714285714296,1.8396023057175851E-16,-0.12653061224489803,-0.0285714285714286,-0.057142857142857204,0.010989010989010974,-0.18857142857142867,-0.04285714285714293,0.14285714285714288,1.6175649596487614E-14,-0.12653061224489012,-0.028571428571428567,-0.05714285714285944,0.010989010989007859,-0.18857142857143055,-0.04285714285715088,0.14285714285712914,2.316585943733096E-15,-0.12653061224489667,-0.02857142857142863,-0.057142857142857564,0.010989010989010489,-0.1885714285714288,-0.04285714285714405,0.14285714285714068,-3.383900331008979E-15,-0.12653061224489948,-0.02857142857142853,-0.05714285714285657,0.010989010989011654,-0.18857142857142803,-0.04285714285714115,0.14285714285714557,0.05845347313237245,-0.0034824939149971277,-0.03294014853647878,-0.11664482306684161,0.02639378969654201,-0.2123722149410222,-0.10747051114023587,0.012844036697247482,1.1129596302842437,1.1589720950430393,0.9801415843327747,0.9271121021766345,0.8444917437052567,1.1568860633763973,1.025556927503685,0.8341879170696804,1.1500000000000001,1.1734693877551023,0.9857142857142862,0.985714285714286,0.9098901098901101,1.1171428571428574,0.9035714285714286,0.6571428571428569,1.1500000000000006,1.173469387755102,0.9857142857142857,0.9857142857142858,0.9098901098901101,1.1171428571428574,0.9035714285714291,0.6571428571428575,1.1500000000000001,1.1734693877551021,0.9857142857142857,0.9857142857142858,0.90989010989011,1.1171428571428572,0.9035714285714288,0.6571428571428575,1.1499999999999995,1.1734693877551012,0.9857142857142851,0.9857142857142852,0.9098901098901092,1.1171428571428563,0.903571428571428,0.6571428571428566,1.1499999999999992,1.1734693877551015,0.9857142857142852,0.9857142857142854,0.9098901098901095,1.1171428571428568,0.9035714285714278,0.6571428571428567,1.08519003931848,0.9628908444111591,0.9364788117081697,1.0007863695937091,0.8904123399536246,1.3022280471821759,1.112319790301442,0.8681520314547839,46.869540325390105,23.434770162695063,37.04240959891879,46.86954032539013,4.686954032539012,23.434770163017518,1.7763568394002505E-14,0.33207622036214035,0.03320762203621404,-1.10239075701093,47.74891029706062,4.774891029706062,3.86595624566237,46.869540325390105,23.434770162695063,37.04240959891879,46.86954032539013,4.686954032539012,23.434770163017518,1.7763568394002505E-14,0.33207622036214035,0.03320762203621404,-1.10239075701093,47.74891029706062,4.774891029706062,3.86595624566237,46.869540325390105,23.434770162695063,37.04240959891879,46.86954032539013,4.686954032539012,23.434770163017518,1.7763568394002505E-14,0.33207622036214035,0.03320762203621404,-1.10239075701093,47.74891029706062,4.774891029706062,3.86595624566237,46.869540325390105,23.434770162695063,37.04240959891879,46.86954032539013,4.686954032539012,23.434770163017518,1.7763568394002505E-14,0.33207622036214035,0.03320762203621404,-1.10239075701093,47.74891029706062,4.774891029706062,3.86595624566237,46.869540325390105,23.434770162695063,37.04240959891879,46.86954032539013,4.686954032539012,23.434770163017518,1.7763568394002505E-14,0.33207622036214035,0.03320762203621404,-1.10239075701093,47.74891029706062,4.774891029706062,3.86595624566237,46.869540325390105,23.434770162695063,37.04240959891879,46.86954032539013,4.686954032539012,23.434770163017518,1.7763568394002505E-14,0.33207622036214035,0.03320762203621404,-1.10239075701093,47.74891029706062,4.774891029706062,3.86595624566237,57.265130578955585,28.254633083539,46.200939702802884,57.195797245622245,5.719579724562225,28.254633083541606,-0.17333333333334622,0.4506108515998047,0.04506108515998047,-0.7971511687178153,80.75064815434189,8.075064815434189,4.391365988749709,0,11.850000000000001,12.150111800703517,-0.21004416764770134,0.09008822223564299,5.207143774354368,8.601194161251712,10.0,24.0,21.0,18.0,4.0,3.0,0.0,0.0,0.0,6.0,15.304897999999996,3.784364516318869,3.312688401466909,2.832321240131479,2.619181913839716,2.346140263960331,1.7426189741088445,1.2390388391921636,0.9414285011440503,1.9906928401836779,1.7715637533750357,1.3942746408365467,1.0822503020169485,1.0021265030149473,0.7619493933443253,0.5658845103245825,0.31051397192943403,3.7966664035019955,3.3440327445695615,2.866363614625215,2.6458150318986795,2.392041044723274,1.824240738648525,1.3536283627396257,1.0533366226901495,1.956282131612662,1.7062843681109852,1.3089499702253538,1.0071675921888024,0.9071014556631786,0.6389635839171185,0.41370680606972626,0.1501562586141577,3.852871796111426,3.481937590949019,3.025869470762553,2.7718202154797917,2.589553981854517,2.163417763613167,1.8103523516742712,1.5177937868953855,1.8645805775115596,1.509374337344651,1.059237930849432,0.7986202314843528,0.6282390664256385,0.22657272598983372,0.10755554220693475,0.39684308271442126,3.8058311103682945,3.3671468211195466,2.8920247267636983,2.6659250192640345,2.425626214022655,1.8834757574932546,1.4355758303319388,1.1348113653661835,1.9353221500276454,1.6641917156629036,1.254445418338305,0.9602789912487915,0.8467656770131892,0.5564048194478121,0.310901951964815,0.041902902363462134,3.8817704473684467,3.548754759016052,3.107887283102488,2.8380785876458874,2.6836389675126275,2.31466653002012,2.005734190018035,1.721464227378562,1.8382645483067597,1.4470435157597175,0.9841389562545247,0.7385642758080649,0.540146323665744,0.08097167903957474,0.29805963682722747,0.5943111067077913,3.8593630517132365,3.3275004265962265,2.915628919718483,2.775160708706495,2.4702705837476304,1.9198156764151253,1.4892132023913425,1.2686191272097929,1.9107638998174323,1.6555854839256245,1.2113805329120582,0.8419878518123903,0.7772064392077424,0.4754730544080283,0.22363839260627932,0.1009603094740853,0,0,0,5,1,1,3,0,0,0.0,0.0,0.0,0.10206207261596577,0.07216878364870323,0.0,0.0,0.0,0.032075014954979206,0.022680460581325723,0.20412414523193154,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.4330127018922194,0.6123724356957946,0.6794123418055916,0.21941609682128765,0.2730017401615745,0.2732443447237146,7.234204518682008,4.931851652578137,3.6462643699419734,2.6906706976806576,1.96861408080004,1.5134200059864023,0.637136847124151,0.348461712529338,0.7234204518682008,0.49318516525781375,0.33147857908563394,0.2242225581400548,0.15143185236923384,0.10810142899902873,0.07964210589051887,0.058076952088223,6.508071689507773,3.971343774302781,2.5891519502467624,1.6618298825622118,1.0255780783709256,0.6892178301563411,0.2868089886599421,0.1394001067648757,0.6508071689507773,0.39713437743027813,0.23537745002243293,0.138485823546851,0.07889062141314812,0.04922984501116722,0.03585112358249276,0.02323335112747928,13.792794626501124,23.214857975236704,22.078431372549026,22.319999999999997,15.589881437125744,181.42586946107787,0.5746997761042135,0.967285748968196,0.9199346405228761,0.9299999999999998,0.6495783932135727,7.559411227544911,3.0292000000000012,45.05400000000003,44.388019187031496,65.39551953257775,88.77603837406299,8.877603837406301,44.388019187031496,0.15579985554476933,0.015579985554476932,-1.8591830727296845,41.52791129731682,4.152791129731682,3.7263657625497326,107,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,4.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,3.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.111917044595616,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.028009849773243,0.0,1.1378929280045351,0.0,0.0,2.028009849773243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.225138888888889,0.0,3.8296107331821614,0.0,0.0,10.649555933484505,0.0,0.0,0.0,0.0,1.4623611111111112,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4623611111111112,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3896527777777778,0.0,0.23799922052154196,0.0,0.0,0.3896527777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.225138888888889,0.0,1.2334722222222223,0.0,0.0,2.0649263038548753,0.0,0.0,0.0,0.0,1.4623611111111112,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.190138888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.42404726473922905,0.0,0.35930555555555554,0.0,0.0,0.42404726473922905,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.225138888888889,0.0,1.309537037037037,0.0,0.0,2.190138888888889,0.0,0.0,0.0,0.0,1.4623611111111112,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.166666666666664,1.8166666666666664,0.42404726473922905,2.225138888888889,0.13409722222222223,1.2334722222222223,6.283821819727891,0.2665277777777778,0.2251388888888889,1.7493896447467874,0.2665277777777778,0.2251388888888889,1.7493896447467874,5.0,0.5,0.0,0.0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,-0.0,0.0,0.71429,0.0,0.0,0.1,0.1,0.0,11.0,1.1,5.0,0.5,6.0,0.6,1.0,0.1,0.0,0.0,6.36978,0.63698,10.92787,4.55808,0.45581,2.94966,0.29497,4.93185,1.98218,0.19822,-0.01785,-0.00178,0.06815,0.00682,0.25,10.0,0,0,0,0,0,0,0.4,0.9798687566511528,2.345437252310555,3.2049868557726673,3.772055208874201,3.9701755214643457,3.9701755214643453,23.516850159627666,56.29049405545332,76.91968453854402,90.52932501298082,95.2842125151443,95.28421251514429,0.21371358140814276,0.511549931311684,0.6990213890012325,0.8227014306618439,0.8659123211672696,0.8659123211672695,3.605093744070004,2.239525248410602,1.3799756449484897,0.812907291846956,0.6147869792568113,0.6147869792568117,0.20607611772209405,0.4932687158725382,0.674040522370803,0.7933006211309772,0.834967287797644,0.8349672877976438,6.772325919164824,17.12993833010862,21.13574077145869,23.88501959327515,24.08469020365116,24.084690203651157,37.92632203826385,28.3007284788662,21.86929521663377,17.394862502644237,16.842982815234382,16.842982815234382,8.1,4.760330578512397,3.111111111111111,4,6,4,2.56,1.28,0.0,2.142414564136346,0.25,0.0,11.467501125105276,4.687307279772606,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.13299999999999998,0.124,0.553,0.664,4.916999999999999,11.0,12.0,13.0,14.0,8.0,6.0,4.0,2.0,0.0,90.0,2.6390573296152584,3.0204248861443626,3.4258899942525267,3.8421368779639797,4.261799207675722,3.6260062122954264,3.498399709618518,3.2700441114426,2.7842393394597567,0.0,5.696883732965045,3.2993055555555557,0.42857142857142855,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.3,4.0,0.4,0,4.0,7.0,0.75,1.0,0.44444444444444464,0.1875,0.1511111111111111,0.09027777777777779,0.060408163265306125,0.027777777777777776,0.0,0.0,0.0,0.1,0.04040404040404042,0.020833333333333332,0.025185185185185185,0.018055555555555557,0.020136054421768707,0.027777777777777776,0.0,0.0,0.0,0.25239194667766096,27.561609947481493,42.55768479701098,55.123219894962986,5.512321989496298,27.56160994748645,0.16286914112336268,0.01628691411233627,-1.8148082157981653,52.10125507290877,5.210125507290877,3.9531890381603163,0.0,150.3504701562669,4.321928094887363,3.7612001156935624,4.48863636973214,5.241747015059643,5.993961427306569,6.7580945044277305,7.518064181233078,8.28576542051433,9.048409504829962,9.817439347910675,80.9133178867077,3.044522437723423,0.0,4.174387269895637,0.0,5.517452896464707,0.0,6.955592608396297,0.0,8.438366410870266,8.701346403039162,134.109550448,5.587897935333333,19.704545566963468,1.9704545566963467,0.0,0.0,0.0,133.0,9.0,4.076,42.0,1.2365126558733759,2.1656616197422114,2.9451828490929084,3.752934255980845,4.767487733702947,5.701396749768174,6.658625650910101,7.775499893096989,8.599688968994196,0.0,92.91185031219806,106.36179550594082,98.23942158329484,106.55086939685295,131.80797907669722,138.02042767941902,86.57532590642292,36.674402661398695,8.73783437259212,0.0,323.9803594205811,420.69110523433494,432.60054646620557,502.63199180966586,614.8636584812597,717.4181331585827,599.5062013784594,458.7164724519734,267.3105340977057,0.0,9.050443238815687,15.5761036830834,20.838348158452778,26.46188585822132,33.50739295068548,40.18431717914598,46.28900726243424,53.27499757943585,57.776700749384624,0.0,2.364973853457758,3.289913955069857,3.6013347686580373,4.30634840405319,5.28499528440114,6.327195255475937,5.857758582288015,5.192529726188106,3.823532693302411,0.0,173.8105839307111,323.351528949765,464.91557433783447,598.7398683613404,769.1777534143455,909.452637642717,1109.8132171572408,1355.3395574751787,1590.2342922852413,0.0,3.0590634592186774,4.534347581516438,5.320605166566816,6.498488625302932,8.262315242321456,10.50381415583565,10.681011208165224,10.369849805063549,8.599688968994196,0.0,0.4869614939287739,0.686538141336736,0.7608935561789496,0.9143824271954141,1.1235123833855591,1.3492012187914924,1.2710765390918677,1.1531937369397303,0.8806081504250057,0.0,299.84224223840715,164.05151597968728,12.104742982432807,83.62196423047232,-45.75175898764999,-4.962147319871472,216.22027800793484,209.80327496733727,17.06689030230428,0.7819301963004499,0.4278144171273548,0.031566813220714994,0.21806980369955017,-0.11931168076664554,-0.012940314209676262,114.97876748580032,62.90788439516747,4.641735662268333,32.066030157007084,-17.544161954754625,-1.9028058843961908,0.11337200987936234,0.11929038633715275,2.761331203473693,1.144214143623169,383.4642064688794,0.0,1.0,0.0,726.8842238448302,26.960790489984344,8.991284665293113,863.5642904578848,29.386464408939787,9.522805010692906,1209.7140327823558,34.78094352921375,10.655182832360369,2.155863452084642,2.0565903222671458,906.0635104383499,849.0992892108465,133.24210985117531,1.0670878211197727,6.800128814009152,6.372604652982809,4.682917228018507,5.282500282151085,9.005334830865086,0.7047485754601847,4.313019042714103,4.71839143396633,4.073719854509579,16.80382595186144,5.6758904911083645,4.386203332819443,4.295354567920603,11.048928991616012,6.708138005729832,2.253333605272721,4.956034934013843,3.1032370477259,2.344910266296977,3.3115065175479885,2.7352917516040764,0.12706343042525747,1.9969408496720642,3.974850887888855E-11,1.5806624071349748E-43,1.251411425701249E-97,1.9628314282801343E-173,6.067100949641932E-271,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3620714093119617,4.7182037732271125,0.32129795294855457,5.140880753474033,0.9744575774601243,1.167381581730793,0.4421892477666303,1.6241032574694836,1.516130279257972,0.4667160657395927,1.336112737116149,0.8705916708308737,1.0074434314892011,0.2071410690739252,0.17171676531904412,0.004542459096529944,0.014064617684678482,2.799519980821775E-13,1.1132734576764179E-45,8.813792993226042E-100,1.3824382240848552E-175,4.273108806656771E-273,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1685440525039332,4.718216744102123,1.0501092706167166,6.088717851535583,1.382411917974249,1.5758516123908395,1.1678892726248977,2.9203157649367366,2.3319570439516677,0.7592200744883143,1.9215085783855759,1.1716574393081063,1.1534901691891375,0.6783001960819609,0.5924333075483962,0.018696975074413792,0.1465641601515834,2.9173156641413536E-12,1.1601167767335833E-44,9.18465184595322E-99,1.4406072160437473E-174,4.4529088349570835E-272,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.071144859694226,4.7183709829388585,3.830861083464949,15.582945024712851,5.192895999228986,4.1012170379877215,4.037952865272492,10.249925466657082,6.303977552958018,2.1184223043584383,4.6801200391669235,2.911840831985859,2.2181177024136858,3.0639695265993283,2.5420678650209334,0.11572277712930755,1.7792383450484257,3.5415205797122255E-11,1.408341747234496E-43,1.1149850504610715E-97,1.748847464678633E-173,5.405677716821387E-271,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7221622393111864,4.718233170592906,1.561442430484281,7.164811825450493,1.8262734125640074,1.9300561253943538,1.684116276261798,3.996471067663048,2.9644370874444963,0.9814474504501279,2.3689440118683485,1.424252817279132,1.2914433591462278,1.0499881681933902,0.9116953296294609,0.0316365698022731,0.3183569407236999,6.336799453569116E-12,2.51992866155794E-44,1.9950291123463043E-98,3.12919137673112E-174,9.672313016717795E-272,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.20857027369509,4.718477331242775,4.987834001048018,21.899726964554063,7.685809542870999,5.541219869985027,5.27282438616626,14.259369223595748,8.302560157829689,2.7818434743243676,6.039283815346403,3.8740161611521056,2.8653623102232966,4.293300112474204,3.4919102068728503,0.17341280491234923,2.91235055360473,5.7969464572475386E-11,2.3052475676671664E-43,1.8250659547711803E-97,2.8626051681616728E-173,8.848296539362766E-271,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.360270698755554,3.903198194987458,2.1888891871327245,8.169371272544328,2.3690257782582775,2.3990273168009226,2.3342521425823,5.199080201853446,3.817638826065373,1.236995723208418,2.937549481728315,1.8928274219040793,1.7203050877687607,1.5421133345876925,1.42966056045711,0.052876773005107375,0.6050826579260526,1.204398888679394E-11,4.789482927098654E-44,3.791836657288525E-98,5.947473396017579E-174,1.8383606951191785E-271,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.338824501569077,1.302114699530443,0.6283762775444319,0.7917331671877356,0.14047582073675788,0.5627332702183945,0.40632053322732214,0.35877543392422206,9.269315478643952,14.985752470441945,30.25982616577396,0.6875997507816033,1.3278292373699387,6.3160609990517695,0.7091219595333873,0.2852603663857504,0.8639778353082171,0.0970012252350249,0.41695995155332294,0.1210633326422557,0.0741036836072397,7.310443324970907,6.482863816872928,15.070947688168285,0.7959667529623257,0.6121269678028184,6.679265392612314,0.9197875756706898,0.4071407029775188,0.8342622807875079,0.11488450235377273,0.4662253713266389,0.20330786514301868,0.150796945419818,8.006193671260522,9.237389090202162,19.744853837305925,0.7513934211812617,0.8203301818894756,7.3086774533763545,1.2846456544804605,0.6182661877222422,0.7934219838572295,0.1394597189756391,0.5581238759261922,0.39553858257478713,0.3473381174322918,9.211589295579056,14.702021848239335,29.718549927944412,0.6901329757858442,1.301000575933271,6.85801055537641,1.0234299826200393,0.46710749572326027,0.821461471824438,0.12258778155032647,0.4914820141404883,0.25150579508637316,0.19841137489946864,8.348548033719709,10.700173575892231,22.327206011332404,0.7321922077366569,0.9413991841263301,7.435131556773034,1.357916973584021,0.6606725332766701,0.7864767224171932,0.14363835831878022,0.5775855876732279,0.4417254578812256,0.3965516050022551,9.453721063633726,15.905616989547987,32.02968043064972,0.6797150836257898,1.4158626505567085,7.32732009262999,1.2872904069761812,0.617878745147253,0.7936451262907139,0.13943047999841576,0.5609737628756283,0.3970741032484642,0.34685820177740745,9.232489244753426,14.755173589515424,29.815735429351484,0.6904676894360711,1.3049060679014999 +UMLCN0093,L,4-phenyldodecane,CCCCCCCCC(CCC)C1=CC=CC=C1,Aromatics,,C18H30,NREL (2014),Unknown,PubChem,,42,0,-0.5005000000000006,0.2505002500000006,73.6207,51.683789999999966,6,6,48,18,30,0,18,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2627.236097999997,2959.966818000001,3566.413220000004,3636.2645960000023,3526.289611000004,3419.362818000004,2978.527623000002,2425.680443999999,1995.8457219999948,8555.816564415847,11065.402722603496,15247.108101829095,16617.08151716136,16475.60697566174,16427.3836674549,15166.43132356011,12779.598199037857,10421.791660016033,337.28320799999995,349.25824800000026,643.0570400000012,886.1192480000022,886.494700000002,907.025544000002,904.1602200000025,817.0808160000023,669.958120000001,63.538587145470046,83.60652929999998,123.69213062273481,141.70498941275204,141.367496533054,142.36384236790303,134.6620496772988,115.60451948214765,94.22082883335578,7829.827970347472,6875.974841007003,13731.39202637323,20293.042186312105,20255.780169312304,20773.271108385245,20979.43610049934,19252.74520712462,15835.46725390876,82.80555555555556,100.97222222222221,159.83333333333331,196.83333333333334,197.41666666666666,205.33333333333334,202.75,177.5,143.66666666666669,54.73408537499994,61.665975375000016,39.6268135555556,28.859242825396844,27.986425484127015,26.50668851162794,23.089361418604668,20.73231148717948,20.79005960416661,178.24617842533016,230.52922338757284,169.4123122425455,131.8815993425505,130.7587855211249,127.34405943763487,117.56923506635744,109.2273350345116,108.56032979183368,7.026733499999999,7.276213500000005,7.145078222222235,7.0326924444444625,7.035672222222238,7.031205767441876,7.008993953488392,6.983596717948737,6.978730416666678,1.323720565530626,1.7418026937499995,1.3743570069192756,1.1246427731170796,1.1219642581988414,1.1035956772705662,1.0438918579635565,0.988072816086732,0.9814669670141227,163.12141604890567,143.24947585431258,152.5710225152581,161.05589036755637,160.76016007390717,161.03310936732748,162.6312876007701,164.55337783867196,164.9527838948829,1.7251157407407407,2.103587962962963,1.7759259259259257,1.5621693121693123,1.5667989417989416,1.5917312661498708,1.571705426356589,1.517094017094017,1.496527777777778,0.08969647665572279,-0.004541970288229374,-0.03605632417539434,-0.0033908574948612255,-4.215222142522814E-6,7.29848792498735E-4,-0.011505697282518575,-8.141225054273406E-4,0.0036544137560274538,1361.9926012500002,-1.9255708139098715E-12,-359.4147142187513,117.28269621875006,-49.18306615624999,-164.5741059843748,-209.97385935937427,-51.074722546873886,30.26650225000094,2532.6834011912515,-2.6290081223123707E-12,-668.3470086476952,218.09218176924688,-91.45801170968471,-306.0325776439438,-390.45535768365175,-94.97562754467108,56.28185335980676,0.26680499999999996,2.069525106840331E-15,-0.07040687499999794,0.02297487500000025,-0.009634624999999578,-0.032238937499999565,-0.04113243750000001,-0.010005187500000609,0.005928999999999356,11.322273204551234,2.3037127760971998E-14,-2.987822095645445,0.9749735259474738,-0.40885986571989985,-1.3681080122166016,-1.7455171190349845,-0.42458524517067797,0.25160607121224243,61.50276774505123,-8.388845174067683E-13,-16.229897043833688,5.2960716669349,-2.2209332796824874,-7.431584435860401,-9.481676694028566,-2.306353790439072,1.366728172112575,6.550347222222218,0.34895833333333126,-0.10828993055555794,0.8122829861111106,-0.2849392361111128,-0.4165581597222242,-1.3193359375000056,-0.8883463541666696,-0.6510416666666676,0.0018686765969942248,-9.462438100477862E-5,-4.006258241710482E-4,-2.6911567419533536E-5,-3.3454143988276306E-8,5.657742577509574E-6,-8.919145180246958E-5,-6.958312012199492E-6,3.806680995861931E-5,28.374845859375004,-4.011605862312232E-14,-3.9934968246527927,0.9308150493551592,-0.39034179489087295,-1.2757682634447658,-1.6277043361191803,-0.43653609014422123,0.31527606510417644,52.76423752481774,-5.477100254817439E-14,-7.426077873863281,1.7308903315019593,-0.7258572357911485,-2.372345563131347,-3.0267857184779206,-0.8117575003818042,0.5862693058313204,0.005558437499999999,4.3115106392506895E-17,-7.822986111110882E-4,1.8234027777777975E-4,-7.646527777777442E-5,-2.4991424418604314E-4,-3.1885610465116286E-4,-8.551442307692828E-5,6.176041666665996E-5,0.23588069176148405,4.799401616869167E-16,-0.03319802328494939,0.007737885126567252,-0.0032449195692055544,-0.01060548846679536,-0.01353114045763554,-0.003628933719407504,0.002620896575127525,1.2813076613552339,-1.747676077930767E-14,-0.18033218937592987,0.042032314816943646,-0.01762645460065466,-0.057609181673336445,-0.07350136972115168,-0.019712425559308307,0.014236751792839323,0.13646556712962954,0.007269965277777735,-0.0012032214506173104,0.006446690365961195,-0.002261422508818356,-0.0032291330211025133,-0.010227410368217097,-0.007592703881766407,-0.0067816840277777875,-0.05063710925527852,-0.21439013300399692,-0.01440140442857845,-1.7902586269923568E-5,0.003027673481120318,-0.047729741971368644,-0.003723657706952594,0.020370999465530823,-1.4137894817803227E-15,-0.14074074074074125,0.032804232804232815,-0.013756613756613752,-0.044961240310077456,-0.05736434108527111,-0.015384615384615047,0.011111111111111453,-1.0380326735966337E-15,-0.14074074074074155,0.032804232804232836,-0.01375661375661385,-0.04496124031007765,-0.05736434108527139,-0.015384615384615248,0.011111111111111342,7.756695364930685E-15,-0.14074074074073664,0.03280423280423316,-0.013756613756613155,-0.04496124031007692,-0.05736434108527134,-0.015384615384616322,0.011111111111109906,2.034673368569814E-15,-0.14074074074073983,0.032804232804233016,-0.01375661375661356,-0.044961240310077324,-0.05736434108527141,-0.015384615384615627,0.011111111111110792,-1.3639784812355351E-14,-0.14074074074074705,0.032804232804232385,-0.013756613756614263,-0.04496124031007779,-0.057364341085270325,-0.015384615384613056,0.011111111111113757,0.053273257354889726,-0.008817033306829425,0.04724041750280818,-0.016571378087413186,-0.023662621194657393,-0.07494498856625138,-0.05563823931170892,-0.04969520275642735,1.304208448726849,1.23112408896192,0.908296489261892,0.9186964479927259,0.9656262752794496,1.0342778047370988,0.9869340662958523,0.937484120844759,1.3055555555555565,1.2765432098765441,0.9615520282186956,1.0112874779541454,1.0363479758828604,1.0201550387596907,0.9462488129154802,0.9138888888888895,1.3055555555555565,1.276543209876544,0.9615520282186955,1.0112874779541452,1.0363479758828602,1.0201550387596905,0.9462488129154802,0.9138888888888895,1.3055555555555536,1.2765432098765428,0.9615520282186947,1.0112874779541445,1.0363479758828598,1.0201550387596898,0.946248812915479,0.9138888888888875,1.3055555555555576,1.2765432098765435,0.9615520282186949,1.0112874779541445,1.0363479758828595,1.0201550387596898,0.9462488129154798,0.9138888888888895,1.3055555555555545,1.2765432098765415,0.9615520282186936,1.0112874779541432,1.036347975882858,1.0201550387596883,0.9462488129154782,0.9138888888888876,1.2332361516034993,0.9766233766233774,0.8004072377250223,0.8858261919486413,0.9695161664786727,1.0823045013837616,1.0169966088333442,0.9747548369997358,162.72915342796938,81.36457671398472,124.17726225377339,162.72915342796944,9.04050852377608,81.36457671398472,5.6843418860808015E-14,0.39962945903193564,0.022201636612885312,-1.6509915245229838,122.05221171618749,6.780678428677082,8.648008052524537,162.72915342796938,81.36457671398472,124.17726225377339,162.72915342796944,9.04050852377608,81.36457671398472,5.6843418860808015E-14,0.39962945903193564,0.022201636612885312,-1.6509915245229838,122.05221171618749,6.780678428677082,8.648008052524537,162.72915342796938,81.36457671398472,124.17726225377339,162.72915342796944,9.04050852377608,81.36457671398472,5.6843418860808015E-14,0.39962945903193564,0.022201636612885312,-1.6509915245229838,122.05221171618749,6.780678428677082,8.648008052524537,162.72915342796938,81.36457671398472,124.17726225377339,162.72915342796944,9.04050852377608,81.36457671398472,5.6843418860808015E-14,0.39962945903193564,0.022201636612885312,-1.6509915245229838,122.05221171618749,6.780678428677082,8.648008052524537,162.72915342796938,81.36457671398472,124.17726225377339,162.72915342796944,9.04050852377608,81.36457671398472,5.6843418860808015E-14,0.39962945903193564,0.022201636612885312,-1.6509915245229838,122.05221171618749,6.780678428677082,8.648008052524537,162.72915342796938,81.36457671398472,124.17726225377339,162.72915342796944,9.04050852377608,81.36457671398472,5.6843418860808015E-14,0.39962945903193564,0.022201636612885312,-1.6509915245229838,122.05221171618749,6.780678428677082,8.648008052524537,201.00716787799945,99.91481313040178,155.15502018340706,200.75068639651795,11.152815910917662,99.91481313040178,-0.3847222222222655,0.4435402656721331,0.02464112587067406,-1.463340043190173,120.51118333776621,6.695065740987012,8.625136601531926,0,11.85,12.150236622295475,-0.20990817080669996,0.09036097213149621,5.1380917529173615,10.473995668179674,18.0,48.0,45.0,42.0,12.0,3.0,0.0,0.0,0.0,6.0,32.796209999999995,3.811574983209724,3.502382725548561,3.3768489206604717,3.193032892944778,2.9471858297332156,2.706029648955321,2.6191819138397157,2.405614368113191,2.0205472120884718,1.903305898784095,1.7925001042538957,1.7142020515680358,1.5169928895846272,1.3198800990880943,1.1284977336695472,1.082250302016947,3.8237292562343277,3.529612763786883,3.4050397075119307,3.229013600709612,2.985572682591694,2.7448196141449337,2.6458150318986835,2.4480325017418383,1.9847376098778453,1.845442509544434,1.732803872429137,1.640219396702896,1.435689696656976,1.2294529469071194,1.0191124193986827,1.0071675921888017,3.879636631452006,3.649305784478951,3.529194137555588,3.3863426674654566,3.1563072921589352,2.923245990375721,2.7718202154797877,2.642154169959509,1.8913744723248707,1.6731501106781925,1.553965078021908,1.417482647566909,1.190460749721776,0.9599645492309757,0.798620231484353,0.6851985720935571,3.8328013801497174,3.549678001748903,3.4258259404224387,3.255490250875244,3.014012294945088,2.7738786650250997,2.6659250192640283,2.4793606081467887,1.9631461969795838,1.8083752602919645,1.6944126790936074,1.5926280604783503,1.3832908990117425,1.1713165528520808,0.9602789912487912,0.9475890141773213,3.9086735112868127,3.7074215896971396,3.5895779944198596,3.462107016499481,3.239513209054618,3.013163265424203,2.838078587645888,2.750111402485899,1.8650407059795149,1.6190079157305717,1.4977331314071995,1.3466696387712462,1.1129228884471665,0.8770466731581631,0.7385642758080656,0.590333509261587,3.9377676325078066,3.5138853620255976,3.4204809771034888,3.2648539035294464,3.0516580494319547,2.847978842296224,2.8263825214963467,2.562480373966044,1.9410743820295377,1.804184000279998,1.6254178515041922,1.5610145143654273,1.3287103969988443,1.0981892227291703,0.8618330792083676,0.7762562883718818,0,0,0,5,1,2,9,1,0,0.0,0.0,0.0,0.10206207261596577,0.05892556509887897,0.0,0.0,0.0,0.032075014954979206,0.018518518518518517,0.3333333333333333,0.0,0.08333333333333333,0.0,0.2405626121623441,0.0,0.048112522432468816,0.0,0.9428090415820635,1.5345177968644244,1.9243235910030643,0.6179846864976637,0.9279118751673783,1.0486908169537483,13.054195474990921,8.88054005756188,6.503286973897132,4.904430875144941,3.778960563639734,2.8087085098665843,1.5825069143602446,1.056501370418728,0.7252330819439401,0.49336333653121556,0.3251643486948566,0.2132361250063018,0.1453446370630667,0.10031101820952086,0.06880464845044541,0.04802278956448764,12.328062645816686,7.930068880418592,5.4527242497376305,3.8142531076815738,2.7224043520355234,1.8401721105884545,1.069457557934076,0.6681402951959955,0.6848923692120381,0.4405593822454773,0.2726362124868815,0.1658370916383293,0.10470785969367398,0.06572043252101624,0.04649815469278591,0.030370013417999796,26.12741705678807,46.31755280407871,43.882352941176435,44.40000000000002,29.978317365269504,365.65191017964077,0.5443211886830848,0.9649490167516398,0.9142156862745091,0.9250000000000004,0.6245482784431147,7.617748128742516,6.320900000000006,82.08400000000007,107.3976896359119,155.11633642413898,214.7953792718238,11.933076626212433,107.3976896359119,0.08332426740335352,0.004629125966852974,-4.4730278043587015,156.3440403636913,8.685780020205073,9.09370613862009,336,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,12.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,9.0,0.0,0.0,5.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.636842503402749,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8320458729173974,0.0,3.0087988376520154,0.0,0.0,1.8320458729173974,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.587173140478516,0.0,12.482118484152664,0.0,0.0,11.087853437097214,0.7938658719660702,0.0,0.0,0.0,1.5489890663055348,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5489890663055348,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.34042250706144106,0.0,0.21158374356800932,0.0,0.0,0.34042250706144106,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.284407043490287,0.0,1.3009877610364624,0.0,0.0,2.1222757341764376,0.7938658719660702,0.0,0.0,0.0,1.5489890663055348,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.302985717435122,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.39722659297095275,0.0,0.35930555555555554,0.0,0.0,0.39722659297095275,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.302766096988229,0.0,1.432018534265558,0.0,0.0,2.302985717435122,0.7938658719660702,0.0,0.0,0.0,1.5489890663055348,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,30.500000000000004,1.6944444444444446,0.39722659297095275,2.302985717435122,0.059155289430587066,0.7938658719660702,11.960498892587058,0.5394674613672631,0.30298571743512215,3.350053155151459,0.5394674613672631,0.30298571743512215,3.350053155151459,9.0,0.5,0.0,0.0,0.45,0.7,0.43333,0.43333,0.7,0.01667,0.01667,-0.0,0.0,0.71429,0.0,0.0,0.11111,0.11111,0.0,15.0,0.83333,9.0,0.5,6.0,0.33333,-3.0,-0.16667,0.0,0.0,19.47701,1.08206,25.5609,6.08389,0.33799,6.92422,0.38468,8.88053,1.95631,0.10868,0.03347,0.00186,0.11947,0.00664,0.125,18.0,0,0,0,0,0,0,0.6666666666666666,0.954434002924965,2.046524777674853,2.9486584698602054,3.8559266994775943,4.371115365169273,4.534829751626017,45.81283214039832,98.23318932839295,141.53560655328985,185.08448157492452,209.8135375281251,217.6718280780488,0.1708935382827949,0.3664348287764862,0.5279638797000804,0.6904122810098902,0.7826579613748263,0.8119713876396588,4.630528497796192,3.5384377230463038,2.6363040308609516,1.7290358012435627,1.2138471355518838,1.0501327490951402,0.16825853940516455,0.36078478856868784,0.5198232311745818,0.6797668487492929,0.7705901976049733,0.7994516416235283,6.794779896422575,15.43414407349512,20.413747971454406,24.271900892368773,25.88000749620839,25.301860361997555,70.02286694165512,52.29144458412319,38.880501736788865,28.876747982721653,24.32255677374801,24.94737961497787,16.055555555555557,10.88,7.258979206049149,12,6,12,3.44,2.4072000000000036,0.09090909090909091,5.103288294302263,0.7377879464668811,0.0,23.232697223000393,9.914635307063131,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.15099999999999997,0.14400000000000002,0.514,0.649,8.681000000000001,20.0,23.0,26.0,28.0,23.0,22.0,19.0,16.0,12.0,225.0,3.091042453358316,3.3843902633457743,3.755369195382769,4.145116887595524,4.534613592524957,4.233200297013721,4.364689715020605,4.260917762047916,4.09016919081162,3.7509735839097313,6.363566751547025,2.5747222222222224,0.5,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.5555555555555556,12.0,0.6666666666666666,1,6.0,12.0,1.0,1.5,1.1111111111111116,0.5625,0.2711111111111111,0.23611111111111113,0.1616326530612245,0.10243055555555555,0.05744520030234315,0.04562500000000001,0.037139067442097745,0.08333333333333333,0.05555555555555558,0.028125,0.014269005847953214,0.013117283950617285,0.010775510204081634,0.00853587962962963,0.005744520030234315,0.005069444444444446,0.005305581063156821,0.2423316879800347,86.38989150185495,129.79671226244128,172.77978300370998,9.598876833539444,86.38989150185495,0.3018594161799873,0.01676996756555485,-2.1560289827906995,119.41992233324707,6.634440129624838,8.608762873354062,0.0,288.71834716320103,5.169925001442312,4.343805421853684,5.093750200806762,5.8664680569332965,6.645090969505644,7.4342573821331355,8.226038429485484,9.023649282664286,9.822765447457765,10.625440824937742,103.0812660157778,3.6109179126442243,0.0,4.762173934797756,0.0,6.111467339502679,0.0,7.562681246721884,0.0,9.073030421011577,9.329100707697025,246.23475095999999,5.129890645,35.56638724276129,1.975910402375627,0.0,0.0,0.0,745.0,20.0,8.563,76.0,1.243089661270021,2.162800231937079,2.9148243657752557,3.6753157932494362,4.704284550605697,5.579902889573781,6.58414485158459,7.651538135079588,8.688367806959187,9.753792059487292,87.56669751793235,94.40158962994671,96.12968287397038,123.0742948664942,142.72872772627457,148.58969631768102,155.9104319807173,180.28517747781927,218.7815998629074,232.99419877688499,312.06017127779126,390.003633013726,416.3394892177772,541.2810007248705,650.9956844041467,715.6404695880386,779.8143724067787,894.3680881524587,1055.1576599743478,1174.7350833352912,9.079897402741176,15.501858928269758,20.561848840539522,26.00783831123457,33.19621116077659,39.25750997526905,46.139506785726915,53.555076965060465,60.89952103086973,68.4509019428694,2.3035276490722123,3.1127125761639154,3.465769331684243,4.503086036020121,5.509894905626871,6.198415406087527,6.891664907712088,7.908169382380083,9.219688025748884,10.370262891901774,175.89839122101975,326.56788425159,465.0756967500465,579.9156852348474,748.932490255992,896.6332805224371,1071.7351650641485,1250.6616709172574,1413.8825863816126,1579.6997664614016,2.6873424934982277,3.9390838256729563,4.678403633378845,6.032961974193094,7.727959132422148,9.05793648601853,10.304726011123352,11.765368981228525,13.678781985285259,16.072279035634978,0.4753019969643871,0.6519723526966297,0.7326870350876173,0.951296099927567,1.1676437583326054,1.3188525992828293,1.4719756400336594,1.6897200230165101,1.965899589820118,2.2138284759664186,509.6035039253318,489.6878677600294,16.90171743783658,85.44598601511595,-82.10670134349425,-5.186961387858935,424.1575179102158,571.7945691035236,22.088678825695517,0.8564052445055162,0.8229363709042709,0.02840388526259908,0.14359475549448392,-0.13798297911609245,-0.008716857127930728,303.23930508263356,291.38851594063084,10.057358340502228,50.844590395753364,-48.857550755138924,-3.086498728186256,0.06456069406090015,0.06793106946773987,0.7698077719701856,0.602448028600857,595.0494899404476,0.0,1.0,0.0,1223.5367770140297,34.979090568710184,10.695612889854308,1515.2094209356862,38.92569101423488,11.485702258808058,2311.9092328794986,48.08231725779758,13.222804993757348,3.370396983738886,3.370396983738886,4758.076407049407,4252.114694310726,679.3067479952142,1.1189906079945706,7.004312000567567,6.259491322380744,7.818599089870551,8.108225633110864,15.140712449716741,0.8673274690195985,8.775427898149477,13.183150714763803,7.568763926135279,51.294432281545056,18.72530508740292,10.268492676546844,18.00345982542039,26.82571684296393,34.94692485338695,11.112842604646069,19.893702978331785,31.798210313873213,16.457207099222675,25.234591768833976,12.097146572803865,9.719222924765125,14.820963756425671,11.276333463008898,12.668922123163677,6.15954001319644,8.01167759323822,9.511948952596294,5.475412302269511,2.135223242688374,0.9227993029958252,2.385358582593635,2.1510448965026163,2.0674616659289513,0.28522328854327605,4.577557009571777E-6,0.7365704623443319,12.31217950418631,0.5081422616116963,14.31689147766675,1.656125771125143,2.59502459201251,3.3988794037695733,3.193687150843854,7.806821481408534,1.1474073850287505,4.824319000032291,2.6156213810914326,3.6051988530630212,5.835139786463861,1.5549296841867375,0.5792190035326398,3.1454266595977076,1.6226286869089455,3.3519991110818776,1.16616664319035,0.5900350675098229,1.2974146806873028,1.114669948418915,0.050323608579434534,0.070597428821989,0.7097274753735725,0.11558782117816943,0.057133801897302536,0.0020088522326749394,3.224010830366851E-8,2.3774726472886827,12.370380509835194,1.7234219331442973,17.379416036364052,2.921700132368867,3.5686272245175075,6.1447751532827874,6.54763735962497,11.645785170490546,2.886094896045923,6.8526833567324745,6.464216557901676,5.279894432714058,8.910149696617422,2.880791167652505,1.764609418605794,4.7941991985604,3.0540785212940595,4.572890198755523,1.9155204189873187,1.6465445962040632,2.2843318219382835,1.7431761167375315,0.24670432109919194,0.19191555351674797,1.0465567276809296,0.4159187249885747,0.26111697593974664,0.020933778968356437,3.359667857783853E-7,8.283294806243196,13.087526052640374,7.056586317520191,47.44391492037365,16.89547177600853,9.589045244481119,17.02616820323177,24.858996371836316,32.68370155306678,10.398238206517803,18.600553480072325,29.265864150109138,15.33480717624872,23.73394703187476,11.159537651511126,8.919018172656177,13.846370424064625,10.494632946383357,11.857669904715392,5.758367529129102,7.395161121295178,8.765016942574363,5.115900302069014,1.9265067316129694,0.8520077914360311,2.2809370757330383,1.9856996721520195,1.8713848132448996,0.25412881595078335,4.078520883286454E-6,3.5039005553407043,12.445840280450208,2.624760701610176,20.813545263459854,4.4492282055387316,4.4129644987639605,8.099585360493386,9.286448181542479,14.786148785379185,4.167380605217467,8.556151422834107,9.73212274749674,6.711201186960733,11.283772483023121,4.036218838157572,2.7803317661302343,6.144104304315119,4.1967871129824825,5.613164445357733,2.510067245631826,2.507915477442611,3.166648591422437,2.252304603031806,0.4495652990504645,0.29082489942659545,1.2793242629060517,0.6562766799058569,0.46241984290458804,0.04547096205491667,7.297647528192511E-7,10.597575226014557,13.585239299180614,9.555883189970574,67.35283310315877,26.391515599921103,13.022260237461282,21.71640915421425,34.698000919039174,44.009836297310606,13.87738427780446,25.102456301913655,42.02115842319424,20.99400784401872,31.146219238767163,15.900486472600104,12.955272598784063,18.724456331866364,14.387152817788063,15.946121532785867,7.753313502016503,10.478491124399078,12.554595744770575,6.91160753808678,3.000067299987977,1.206050385601546,2.774074252206117,2.8094965090954966,2.876338850710457,0.4159713563991406,6.675936692452789E-6,5.173909807282702,10.724213608522042,4.12241053574155,25.72364444859065,7.573542147964305,5.835210842875093,10.830762326707994,14.066770655008865,18.924913703436363,6.264416439087931,12.459274075518366,15.031930515127032,9.935038276536009,14.17627478570281,6.57211218018011,4.607931842689124,8.410274841422167,6.12230439642897,7.42930808511442,3.7665309702164853,4.311903902401021,5.142906384825945,3.5614641421085933,0.8836556519435563,0.5209760507918697,2.0379932670162075,1.20421366336334,0.9129518412275879,0.09934141459282211,1.5943332126861114E-6,17.812100861992754,3.2028266925107736,0.792713464073708,0.816782560150325,0.1468671778750571,0.4978922770516529,0.3134854603929844,0.44282930398298376,21.807641018577232,73.70788810947306,140.739096687089,0.7251738402254875,1.2542070414276212,17.287073289169815,2.434109116440921,0.3519341492899324,0.861205246424444,0.12126214231773869,0.4663733692137832,0.17379943042985443,0.08748903073444791,20.07311655490067,49.01918024266079,83.90120107717088,0.7918078696366659,0.7276618303780855,17.4748978223027,2.731241048173704,0.5174271417425672,0.8432379741980314,0.13179397052434497,0.4770725868852275,0.2228548084045573,0.18904790814942724,20.72356601221897,58.183362926318395,103.60277343984036,0.764856961297047,0.888975303439212,17.79683301110007,3.1829891705063127,0.7807805416156843,0.8178465108463188,0.14627302428114966,0.4969065227803431,0.3093805922128976,0.4296460710992282,21.760602723222068,73.02776366959615,139.01734069269037,0.7267697662694782,1.235933186092469,17.566869961174042,2.867205652319852,0.5950919256980847,0.835357363929634,0.13634422984058936,0.4825503012166522,0.24743244776513693,0.24995332686621796,21.02916753919198,62.52798225294038,113.53063805347645,0.7530360458944512,0.9799360758480071,17.860766931046197,3.265183050773016,0.8304433552055266,0.8134654292664657,0.1487121769342229,0.5010609460265621,0.3265410155589127,0.48580669519759273,21.95639333702474,75.86257824186531,146.2493264357058,0.7201981438996985,1.3134086567830676,17.856565870280917,3.1960194226139627,0.7829763297397498,0.817774517499513,0.14636763083304374,0.5001250559716881,0.31167741029232904,0.43200998132237706,21.83556162263463,73.55360730676728,140.07357431053305,0.7266617762492695,1.243812447586394 +UMLCN0094,L,alpha-methyl-trans-cinnamaldehyde,CC(=CC1=CC=CC=C1)C=O,Aromatics,Aldehydes,C10H10O,Marquardt (2015),IQT,PubChem,,19.1,0,1.9295999999999998,3.723356159999999,50.6302,25.069929999999985,0,0,21,11,10,0,10,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1708.7698509999987,1755.8760789999994,2136.222033,1977.3394349999985,1461.3359559999983,1303.426246999999,871.6469239999999,305.18901300000016,20.191248,4762.3972387669555,5685.264683274303,7395.983048914331,7295.124890511773,5720.540259982868,4683.164352550309,3387.849781596353,1403.8464169973083,206.34860834918786,155.941516,156.615364,244.02874800000006,285.6294360000001,294.80668000000003,198.52631600000012,207.0865280000001,125.42972399999998,36.345024,32.97833304848999,40.3637831,54.49145566054701,56.28229505939604,45.48384435703704,36.21834057939602,27.803608145640997,12.647045070792004,2.3132196053959997,3302.5713669449906,2952.5123664440007,4864.773597670297,5862.447614846597,6482.4086198383375,4130.289808783397,4585.495910888241,2921.788384278692,924.8548847931461,96.55555555555556,70.0,96.44444444444446,112.0,107.0,82.66666666666667,84.66666666666666,48.0,11.0,81.36999290476184,83.6131466190476,64.734001,50.70101115384612,36.53339889999996,48.27504618518515,31.130247285714283,17.952294882352952,4.0382496,226.78082089366455,270.72688967972874,224.12069845194944,187.05448437209674,143.0135064995717,173.45053157593736,120.9946350570126,82.57920099984166,41.26972166983757,7.425786476190477,7.457874476190476,7.394810545454547,7.323831692307695,7.370167,7.352826518518523,7.395947428571432,7.378219058823528,7.2690048,1.5703968118328568,1.9220849095238095,1.6512562321377882,1.4431357707537447,1.1370961089259262,1.3414200214591119,0.9929860052014642,0.7439438276936473,0.46264392107919994,157.2653031878567,140.59582697352386,147.41738174758476,150.3191696114512,162.06021549595843,152.9736966216073,163.76771110315147,171.8699049575701,184.97097695862922,4.597883597883598,3.3333333333333335,2.922558922558923,2.871794871794872,2.675,3.0617283950617287,3.0238095238095233,2.823529411764706,2.2,0.16945669946478845,-0.034234603132165614,-0.05266583528604581,0.014038895202315497,-0.03519474660192076,0.01977259977053296,0.00978489146757393,2.6452975901008514E-4,-0.006494080911694533,691.092530952381,-4.618527782440651E-13,-76.85268487755147,-258.96342214965983,18.73063870975087,-120.45958541496606,-37.16367979365051,41.195878086168044,87.96658996371899,1128.176223380297,4.263256414560601E-13,-66.83596075996132,-601.6190289369246,253.0171103901559,-371.89763085703004,-104.73582994711794,109.95234268123323,218.03088573949506,1.042603809523809,4.90059381963448E-16,-0.09073951020408137,0.03653082993197217,-0.2867186848072562,0.06273948299319704,-0.08449784126984113,-0.10379127437641722,-0.05482490702947857,5.159975133970953,9.381384558082573E-15,-0.09681513631686944,-3.031131119529573,1.6583252250708935,-2.0983734232585562,-0.642783148246467,0.5242159297950307,1.1065741055000546,28.680236372113793,2.6201263381153694E-14,-0.2044353145984883,-17.02883635275199,9.801725170777335,-12.129761998304119,-3.8393128395488585,2.8507683865746065,6.2097347617946,33.6931216931217,-0.35978835978836043,-3.163265306122449,0.9402872260015112,-9.71705719324768,2.5850340136054415,-2.2257495590828933,-3.190728143109096,-1.7152935248173344,0.008069366641180402,-0.0016302191967697912,-0.001595934402607449,3.599716718542435E-4,-8.798686650480191E-4,7.323185100197393E-4,3.4946040955621176E-4,1.5560574059416773E-5,-0.0012988161823389067,32.90916814058957,-2.1992989440193578E-14,-2.328869238713681,-6.640087747427176,0.46826596774377177,-4.461466126480224,-1.327274278344661,2.423286946245179,17.5933179927438,53.722677303823666,2.030122102171715E-14,-2.0253321442412524,-15.42612894710063,6.3254277597538975,-13.77398632803815,-3.740565355254212,6.467784863601955,43.60617714789901,0.04964780045351472,2.3336161045878477E-17,-0.0027496821273964053,9.366879469736453E-4,-0.0071679671201814055,0.002323684555303594,-0.003017780045351469,-0.006105369080965719,-0.010964981405895715,0.2457131016176644,4.46732598003932E-16,-0.0029337920096021044,-0.07772131075716854,0.04145813062677234,-0.07771753419476134,-0.022956541008802393,0.03083623116441357,0.22131482110001094,1.3657255415292282,1.2476792086263663E-15,-0.006195009533287524,-0.43663682955774336,0.24504312926943336,-0.44925044438163403,-0.1371183156981735,0.1676922580338004,1.24194695235892,1.6044343663391285,-0.017132779037540975,-0.095856524427953,0.02410992887183362,-0.242926429831192,0.09574200050390524,-0.0794910556815319,-0.1876898907711233,-0.3430587049634669,-0.20202566933200097,-0.19777691032935799,0.04460965622967234,-0.10903813200874836,0.09075291067857766,0.04330704317892935,0.0019283513504029534,-0.16095639721098526,-6.68293690871749E-16,-0.07076657874682939,-0.20177014864248155,0.01422904297499459,-0.13556909452772015,-0.040331444194349746,0.07363561837518284,0.5346023308029023,3.7788922742821356E-16,-0.03769976192338987,-0.28714371139508876,0.11774222874226878,-0.25639054156107366,-0.06962730718165419,0.12039207999675802,0.811690320295995,4.700341371160671E-16,-0.05538376528827164,0.01886665548961564,-0.14437632794815916,0.046803373645510474,-0.060783761169379884,-0.1229736065887185,-0.22085533106672545,1.8181065440257186E-15,-0.011939908740263905,-0.31630918435153205,0.16872576331433153,-0.316293814546738,-0.09342823340581705,0.12549689439188108,0.9007041938055961,9.135651129650227E-16,-0.004536057461699703,-0.31971052475802203,0.17942340669345178,-0.3289463590748987,-0.10039961290072938,0.1227862062578344,0.9093678887840736,-0.010678391959799013,-0.05974474645957057,0.0150270583687669,-0.15140939070351772,0.05967336683417083,-0.049544597989949764,-0.11698196866686374,-0.21381909547738692,0.9144254166139747,0.8751278807087505,0.7140990764552978,1.1710249694105443,0.8187899048973971,1.205291567294786,1.375981477438373,1.595961399320678,0.8451519594080408,0.95487383073702,1.0898360659321067,0.9878614225640375,1.055154000700862,1.0620484827365977,1.0143873280127478,0.6503617704862297,0.9647778514371906,0.9991815733194988,1.2436580608561785,0.8299122156435804,1.2051361165678895,1.0011253366856891,0.8092747356935314,0.1479330239638005,0.4848776049707052,0.6777216283507311,0.5455060316021975,1.364751391662267,0.7205549475945758,1.4431327610177451,1.8180996748175948,2.163514059123038,0.9983129364207086,0.9909898290447019,1.2751517838116209,0.7714626326056168,1.263976558914308,1.0123889850635346,0.7784501233048039,0.007085667033023701,0.9999936170671339,0.9829382295001872,1.2724198196365064,0.7632800859006421,1.2731515136227969,1.0234599344372424,0.7867937054462383,2.6808318035608277E-5,0.5040829145728642,0.6855299223389674,0.5589244298415151,1.3636149497487435,0.7145100502512562,1.4250942211055277,1.7982375110848359,2.136934673366834,48.09122831432842,24.024301257374916,36.52953414401883,48.2503192234193,4.386392656674481,24.024301257578344,0.24999999999996092,0.0837007867516174,0.007609162431965219,-2.7285575920569816,49.15966459123341,4.469060417384855,4.284580808063836,48.093339750034865,24.024989801815494,36.53049602948179,48.25196330037039,4.386542118215489,24.024989802018762,0.24926557909867597,0.0837398854860617,0.007612716862369246,-2.7280438744745608,49.15963342985152,4.4690575845319565,4.284580110794414,49.975831451479635,24.642081527199387,37.41536661822103,49.72192587453361,4.520175079503057,24.642081527302768,-0.3989944780580288,0.12060579415736639,0.010964163105215126,-2.326750746562596,49.36053165251013,4.487321059319103,4.289066265502787,48.09555576948715,24.025712460558186,36.53150562878283,48.25368882417191,4.386698984015628,24.025712460761287,0.2484948002189178,0.08378092609556864,0.0076164478268698765,-2.727504900589053,49.15960126579123,4.469054660526475,4.284579391088521,51.99548071749361,25.310205001881183,38.4326575548629,51.30674800382324,4.664249818529385,25.31020500193271,-1.0822942643391613,0.16478220334390165,0.014980200303991059,-1.9834437224317272,50.25621966880472,4.568747242618611,4.308847745161663,48.312493418255,24.096503017874603,36.630688393838845,48.42266971835939,4.402060883487218,24.096503018062034,0.1731341858783182,0.08782468872961013,0.00798406261178274,-2.6756538875530165,49.15917405697037,4.469015823360943,4.284569831781025,51.32525324932259,25.440569447622337,39.00098095211985,51.6300151540845,4.693637741280409,25.44056944767648,0.6704761904761938,0.10295429177613763,0.009359481070557967,-2.5008171742519787,47.355492253954296,4.305044750359482,4.243451086156925,0,11.988576343565837,16.005925804540073,-0.38144912407525894,0.2291942729801461,3.938883786517935,8.970381821341414,11.0,21.0,16.0,16.0,6.0,5.0,5.0,0.0,0.0,5.0,11.890069999999998,3.7868045681973372,3.4499155928197385,2.794264160286296,2.649114569989668,2.5491627458989403,1.9648362231999907,0.9269382018144514,0.7915594734388415,1.9564070362678443,1.6825744052315554,1.1662803991632384,1.102295258045525,1.0316752196612362,0.6734758794831283,0.30591137272121155,0.23177319040723202,3.792327880385255,3.4220032023373754,2.7294849423085545,2.6752034149301336,2.5097219141933995,1.9910925941622257,1.040358538256611,0.8848080585406238,1.9309250487584502,1.6571024891994806,1.100973326207998,1.0397900299742404,1.0287247631134375,0.5829073756121719,0.14500938628742902,0.06376419908914457,3.8443654781767513,3.5293422563604606,2.889145335778606,2.7984886202085586,2.779407045164863,2.232162068733719,1.509333155862536,1.3899039893089644,1.8497943798580314,1.5074231112102483,0.8481980824849192,0.8246948558096784,0.7396933558420753,0.24679550850158796,0.4047099333438278,0.5184706229341639,3.7990118720476036,3.4234876803713314,2.7309367646422786,2.694893082493151,2.5086503771002526,2.01696825418566,1.1228159476949278,0.9716660701364127,1.9156154055553347,1.6450721905285657,1.0841122979803461,1.0140350465163965,0.9828188289357092,0.5232037786768035,0.03633571023440373,0.05022155229185187,3.867627023434957,3.556398681452594,2.9118387890686015,2.868090384184371,2.863278478921701,2.330751499592491,1.7143304045985233,1.6089682452413105,1.8280343062288789,1.4780834676007002,0.8028010966799582,0.7659657083862025,0.6694948799000675,0.1547893153767437,0.6036464707901544,0.732381359807286,4.451354618569138,3.7794510658955938,3.2400418633592736,2.743039857181654,2.6941785358938755,2.159092841289765,1.428699974514545,1.2128312947285853,1.8984614082204392,1.5556696991719876,0.9764727240106487,0.9203872835473168,0.7151992119391668,0.362614858535684,0.06796440749914524,0.15668973727112093,0,0,1,6,2,1,0,0,0,0.0,0.0,0.0,0.10206207261596577,0.07216878364870323,0.0,0.0,0.0,0.032075014954979206,0.018518518518518517,0.49279927982674443,0.0,0.0,0.0,0.2628917115316043,0.0,0.0,0.0,0.8618680660540504,1.0764062751078378,1.2600796553858444,0.3105983486208904,0.357916636367666,0.32773693322950365,8.104448006685086,5.32569850269549,4.2531581111358046,3.1573705568457813,2.158544187169514,1.621234435052091,0.7133731610262557,0.4023689270621826,0.7367680006077351,0.4841544093359536,0.32716600854890804,0.22552646834612725,0.14390294581130095,0.10132715219075569,0.07133731610262557,0.05029611588277282,6.449700174791245,3.5124112667029137,2.416889235874416,1.3798025706509895,0.8461763660673779,0.5032199856818018,0.17942308308387672,0.08220662201398934,0.5863363795264768,0.31931011515481034,0.18591455660572428,0.09855732647507068,0.05641175773782519,0.031451249105112614,0.017942308308387674,0.010275827751748668,13.423938123346227,20.769847050254914,19.976470588235298,20.2,14.4730119760479,157.00926946107788,0.6392351487307727,0.9890403357264245,0.9512605042016808,0.9619047619047618,0.6891910464784714,7.476631879098947,2.1060900000000005,45.09500000000003,49.283720969893764,72.80765511049078,98.56744193978753,8.960676539980685,49.283720969893764,0.24583155483124308,0.022348323166476645,-1.5434195854519372,47.78988852440413,4.344535320400375,4.253495487971307,118,0.0,0.0,1.0,9.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,1.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.240910336356764,14.3007563303099,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.479950396825396,0.0,0.0,0.0,0.450796485260771,0.0,3.479950396825396,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7916666666666665,0.0,0.0,0.0,12.487515589569162,0.0,0.0,0.0,0.0,1.8132407407407412,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.240910336356764,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.240910336356764,0.7464814814814817,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4605229591836735,0.0,0.0,0.0,0.450796485260771,0.0,0.4605229591836735,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7916666666666665,0.0,0.0,0.0,0.8541666666666667,0.0,0.0,0.0,0.0,0.7464814814814817,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.240910336356764,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.240910336356764,1.9652777777777777,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6722222222222223,0.0,0.0,0.0,0.450796485260771,0.0,0.6722222222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7916666666666665,0.0,0.0,0.0,1.9652777777777777,0.0,0.0,0.0,0.0,1.0667592592592594,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.240910336356764,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,26.333333333333336,2.393939393939394,0.6722222222222223,10.240910336356764,0.274375,0.7464814814814817,4.0148374206349215,1.1458333333333333,3.2409103363567646,6.48182067271353,1.1458333333333333,3.2409103363567646,6.48182067271353,5.33333,0.48485,0.0,0.01515,0.54603,0.7697,0.43333,0.47816,0.7697,0.1127,0.06787,-0.04483,0.0,0.62992,0.08437,0.0,0.15625,0.1875,0.0,13.25,1.20455,5.75,0.52273,7.5,0.68182,1.75,0.15909,0.0,0.0,5.63077,0.51189,13.08111,7.45034,0.6773,2.27676,0.20698,5.32569,3.04892,0.27717,0.08831,0.00803,0.17431,0.01585,0.2857142857142857,11.01,1,1,1,1,0,0,0.1,1.2285763800288914,2.4915485198790632,3.1056721842714334,3.7489948035250955,3.8801799226757376,3.6537567082870006,25.800103980606718,52.32251891746033,65.2191158697001,78.728890874027,81.48377837619049,76.72889087402702,0.2797102899843799,0.5672514711613914,0.7070691585642864,0.8535345792821428,0.883401527984509,0.8318516984538618,3.1637410427498693,1.9007689028996975,1.2866452385073273,0.6433226192536652,0.5121375001030231,0.7385607144917601,0.26137477634002354,0.5300671148409938,0.6607195008342006,0.7975838492420301,0.8254929656262568,0.7773223203321861,9.97567205212374,20.518335938873502,25.719896342922052,28.857136571635664,27.942474412065398,25.22539583940055,37.352908043152794,30.18438940605799,23.554482615179275,19.060556521714773,19.85191685710349,23.305986008584103,9.090909090909092,4.792899408284024,3.2653061224489797,5,10,3,2.45,1.2527000000000004,0.0,1.8888703505854465,1.1547005383792517,0.0,8.737028660947072,6.774361887685893,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.48900000000000005,0.48700000000000004,1.124,0.939,5.477,13.0,14.0,15.0,16.0,10.0,8.0,6.0,2.0,0.0,106.0,2.833213344056216,3.2188758248682006,3.6635616461296463,4.007333185232471,4.442651256490317,4.23410650459726,4.394449154672439,4.394449154672439,3.8918202981106265,0.0,6.222576268071369,4.745283018867925,0.42857142857142855,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.18181818181818182,3.0,0.2727272727272727,0,4.0,7.0,0.75,2.0,0.666666666666667,0.4375,0.3111111111111112,0.11805555555555558,0.10040816326530613,0.027777777777777776,0.0,0.0,0.0,0.18181818181818182,0.05128205128205131,0.03977272727272727,0.0388888888888889,0.016865079365079368,0.025102040816326533,0.027777777777777776,0.0,0.0,0.0,0.38150674722103306,31.526935376672718,48.0416055029568,63.053870753345436,5.7321700684859485,31.526935376672817,0.0779665784994158,0.007087870772674163,-2.806622527382723,54.32872216160558,4.938974741964144,4.394558344380419,17.07,153.867779455228,4.459431618637298,3.8918202981106265,4.634728988229636,5.41610040220442,6.180016653652572,6.968850378341948,7.738488122494646,8.529319371214077,9.300820725104558,10.09216387496809,84.75230881432057,3.1354942159291497,0.0,4.31748811353631,0.0,5.700443573390687,0.0,7.1631723908466425,0.0,8.662677858158219,8.91972065553706,146.07316494,6.955864997142857,21.531109589845173,1.957373599076834,2.4045244233309724,2.4045244233309724,0.0,168.0,11.0,2.149,48.0,1.2540549379277433,2.2350204559954623,3.131970617285598,3.9358021874161055,4.830956984392117,5.351755257678113,6.313997836414575,7.048779637617275,0.0,0.0,115.08715834693305,157.03777351135528,165.91432886437937,156.05026646715794,250.22954800047043,189.6921013340416,123.58266968081861,31.913352177172396,0.0,0.0,363.7012562192722,531.3039480579619,604.9272268584854,594.4865291905527,869.7163501736154,697.4328520539285,536.354778104781,302.52440801206774,0.0,0.0,9.382419008637521,16.580776842717977,23.000718905304673,29.051729315145092,35.624087175002565,39.89111660342751,47.03843169581349,51.865835971552784,0.0,0.0,2.542660657626316,3.8630522487984744,4.632933506045279,4.663322861332462,6.624988791892329,5.58165569329915,4.7205718106858825,3.28165027065561,0.0,0.0,174.23173834804962,325.72492977339425,467.5896337360774,632.8678891122183,737.5483395069765,866.6296776948723,1085.112189486557,1303.880505100597,0.0,0.0,4.288519263040901,6.748644592789828,9.197871068633264,10.737306999263387,15.238110928466213,17.40300160500813,19.079712498496416,16.876637043908843,0.0,0.0,0.533107941530479,0.8185818130798832,1.0027464061525961,1.0377279771391703,1.4679909654355028,1.317864670803248,1.1929585572829733,0.8895238012927184,0.0,0.0,257.61135026760286,183.90040640316394,15.612237970651957,190.48613449805666,-135.98188710230053,-20.99084137505934,67.1252157695462,319.8822935054645,36.60307934571129,0.5749002371712155,0.41040267498787203,0.03484116403558179,0.42509976282878426,-0.30346496404329215,-0.04684436331089175,115.43499810199816,82.40530955664036,6.995804566212067,85.35635775131233,-60.93314158422875,-9.40594322327903,0.20373041277323947,0.41708045901257657,3.145859950803064,19.741199339700895,400.765611710668,47.33187305499158,0.8943714824024406,0.10562851759755941,843.7775138408831,29.047848695572675,9.449510584998212,944.6886908039864,30.7357884363487,9.812121232297217,1455.0673571548846,38.14534515710776,11.331681674261823,1.6428838893230864,1.6428838893230864,1001.7475403619053,852.8160076830102,182.57942007466522,1.1746350107610228,5.486639950725246,4.67093173663414,4.812221260246411,4.7137911069541465,8.359356483007529,0.7733828872211085,4.420579751250863,5.11353047985018,3.23940915459193,17.029029963486437,2.0221637138403343,7.627180765573896,6.998183950304673,4.047716891704688,6.22658752653097,2.281651677612006,4.6744787378981085,3.4491970323806678,4.199347143431466,0.3209205416785181,0.5422912534353003,0.13840392975221186,1.4979838252384172E-18,3.1286043638361534E-57,1.2602887928316315E-117,9.791864762150072E-200,1.4673598913138024E-303,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.37789531229431816,5.104819585734358,0.24749669361362783,9.248397739600923,1.3331635268695332,0.6858207650737514,0.7452208466792326,1.991027495248809,1.3175879597330467,0.04063904495112586,0.7052886914521914,2.4220285210837784,0.5370682329144332,0.03133356792679723,0.006666116595877537,9.817622780636404E-4,1.0550422567522797E-20,2.203501634572617E-59,8.876317015785782E-120,6.896490415443804E-202,1.0334735693623139E-305,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2000551178112773,5.105037764296676,0.678272102438975,9.727896247473584,1.4310392809438157,2.0253291117969163,1.8474170542691963,2.3000780716037643,1.8990354080049419,0.2099822040585687,1.2979584310271648,1.8539264044632944,0.8501174194530162,0.0747400300747644,0.04306984523403863,0.010166069842644858,1.099435375416007E-19,2.2962185940936906E-58,9.249806698087947E-119,7.186674735098369E-201,1.0769591405065577E-304,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.174805544831123,5.1127540859123375,3.310034476195416,16.73701409956063,2.004039400525053,7.198331807247083,6.947989339097432,4.189121581379207,6.072171158424845,2.043577224047783,4.354534073103606,3.8137676092011477,3.9661060014534875,0.35221383128051964,0.49309208083020745,0.12333970864075242,1.3346766192835029E-18,2.787530162216498E-57,1.1228946247501862E-117,8.724375214822676E-200,1.307391245484486E-303,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7654879719678536,5.105666610203647,0.9469281070034691,10.3105946666664,1.5129442977361751,2.969041811356762,2.5558134895454203,2.472727269341284,2.393856258133642,0.41182493306694656,1.7693957683953383,1.7310782396480346,1.1996682999305235,0.0953626453929286,0.08733287494465837,0.022066827136121073,2.3881205491731665E-19,4.9876936223186554E-58,2.0091816168722837E-118,1.5610417855742787E-200,2.3392991635983456E-304,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.338498712736051,5.117773640283297,4.30728046016918,20.478791900061687,2.200618233164551,9.302492951299676,8.815065785794113,4.755257532972133,7.902552316252877,3.281352868915297,5.946464963767104,4.100325087293816,5.5944078200408,0.4274912220998701,0.790936819218595,0.20184926409306705,2.184668626234272E-18,4.562775433496037E-57,1.8380127604219174E-117,1.428051450074423E-199,2.140006496690633E-303,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3831065850076745,4.788238623723436,2.7203162235311447,14.06700924050512,1.7891698521030108,4.050966208099553,5.015709732883117,4.1852500789651925,4.651502223397955,0.6691940226646126,2.3262967395985426,6.5245215819937705,2.5994905024680457,0.382971607214729,0.18870604496418486,0.0371352480493993,4.007685620940513E-19,8.370225705863667E-58,3.371759552760012E-118,2.619702225307688E-200,3.925754762730148E-304,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.081772339396506,1.9903768515172129,0.2711311999706334,0.7289425806714215,0.2385604652208316,0.561682046413743,0.5727994559913544,0.30307586435251943,8.343280390884352,14.293630377006906,25.918959062637207,0.5934138710071322,1.4375573667576167,5.7583197358277385,1.2049158475124215,0.1204068041928128,0.8129037888702897,0.17009834511593105,0.5025190775873374,0.1759614731305512,0.05909268636558267,7.083642387532973,7.776711648174048,15.695771446025752,0.7193556833054346,0.7375732370834712,5.500950093523961,1.4251588084997604,0.17085718726425525,0.7751129178744406,0.20081240216870525,0.45567302388801934,0.28466153015629786,0.12025588284276408,7.096966089287976,9.023102966588946,17.459542842182337,0.6626693768116608,0.8605904368870813,6.167680068266536,1.9902152569317724,0.26334257987163484,0.7323958944982816,0.2363328621476871,0.5745135198387971,0.5681548657084607,0.2841453521891781,8.421237905069944,14.423332172998528,26.077103135318595,0.5985938417474224,1.4268137377364358,5.496536323005359,1.5344505397190884,0.19767266696767205,0.7603811329649752,0.2122731791995802,0.4575419377062176,0.33929269671994283,0.1616948730575271,7.22865952969212,9.823997051990553,18.719860100720414,0.6405716994474628,0.9585295074836875,6.21613367812663,2.09042997905459,0.28670280594448344,0.723372620271987,0.2432637214294202,0.5868785544802054,0.6319557686034828,0.33842411097652453,8.593266463125703,15.37590730283711,27.694702469688206,0.5850589304079805,1.5572584340602127,6.170428405735363,1.9894709800623673,0.2630751289962441,0.7325711831251209,0.2361957734251829,0.5750114504537827,0.5676717946422173,0.2835043038868543,8.422974514793975,14.422554831278115,26.07501023039582,0.5988567746876814,1.4261875489828542 +UMLCN0095,L,5-methyl-5-(beta-naphthyl)nonane,C(CCCC)(C2=CC1=CC=CC=C1C=C2)(C)CCCC,Aromatics,,C20H28,NREL (2014),Unknown,UML,,12,0,1.0997999999999992,1.2095600399999984,89.2299,53.870203999999966,10,11,48,20,28,0,20,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2913.7322119999976,3368.5450050000036,4623.669484000006,5123.18422200001,4844.821491000014,4676.428874000021,4186.068454000026,3371.0250170000036,2315.705458999998,9340.682879052662,12106.480195110456,17717.350384859557,20928.593705612315,21314.636096688922,20919.914278999182,19832.90215865672,17148.944269039395,12638.12365753822,338.9273119999999,357.6445320000002,646.4401120000012,889.6171440000013,1012.8733560000011,1064.6015120000018,1024.1958640000012,1023.2115560000022,817.4562680000023,68.22716133577197,89.74614067999993,137.09497614273502,168.04790448516835,177.04525234880944,176.25107427699749,169.5576997085074,152.26049449124227,115.26702660244966,7713.581378478973,6950.112813851202,13520.766493390032,19367.916053388624,22489.262425891626,24122.112250953902,22990.738688054615,23752.428758552254,19215.483190124818,91.39583333333334,112.11111111111111,176.02777777777777,230.44444444444446,252.91666666666669,254.25000000000009,253.24999999999997,241.25,188.33333333333331,60.702754416666615,68.7458164285715,51.37410537777785,40.98547377600008,33.87987056643367,30.969727642384246,28.86943761379328,23.089212445205504,19.792354350427335,194.59755998026378,247.0710243900093,196.85944872066176,167.42874964489852,149.0533992775449,138.54247866886877,136.77863557694292,117.45852239068078,108.0181509191301,7.060985666666665,7.298868000000004,7.182667911111125,7.116937152000011,7.083030461538469,7.050341139072859,7.063419751724146,7.008298328767139,6.986805709401729,1.4213991944952493,1.8315538914285698,1.5232775126970557,1.3443832358813468,1.2380786877539123,1.1672256574635596,1.1693634462655684,1.042880099255084,0.9851882615593988,160.6996120516453,141.83903701737148,150.2307388154448,154.94332842710898,157.26756941182956,159.7490877546616,158.55681853830768,162.687868209262,164.23489906089588,1.9040798611111114,2.287981859410431,1.9558641975308642,1.8435555555555556,1.7686480186480187,1.6837748344370866,1.746551724137931,1.6523972602739727,1.6096866096866096,0.09208722822102203,-0.012601976749182762,-0.01600824267877173,0.0024106092917337693,-0.030791941677320207,0.015887266188501527,-0.006787765197551534,-0.015536993909910757,0.003629449401822708,1412.436771666667,41.196072506945384,85.75508970833428,54.64785128472285,-232.88392009027837,66.41815771527689,-543.9563043263898,-169.828707069446,-143.7658856875015,2626.4864901242645,76.60585596195403,159.46525118611254,101.62001301075807,-433.05759390739445,123.50740042846304,-1011.5099756609497,-315.80373274112753,-267.33880345907346,0.27668666666666636,0.008070027777780434,0.016798833333335903,0.010705138888890745,-0.04562036111111032,0.01301086111111081,-0.10655730555555516,-0.03326827777777934,-0.028162750000001964,11.74161665657165,0.34246381915002255,0.7128838684347245,0.45428873968879613,-1.9359689368275879,0.5521355451602123,-4.521920224286843,-1.4117896218020949,-1.1951288382582073,63.780648031904995,1.8602689009297444,3.8723964876505814,2.4677036440910074,-10.51621399097509,2.9992090443574733,-24.56314242657301,-7.668863632407151,-6.491958817532639,8.050781250000004,-0.4637315538194423,2.3236219618055554,2.7622884114583326,-2.0393066406250018,0.8862575954861076,-2.8452419704861107,-2.3476019965277772,-1.1901855468750033,0.0019184839212712922,-2.571831989629135E-4,-1.7786936309746365E-4,1.9284874333870153E-5,-2.1532826347776368E-4,1.0521368336755979E-4,-4.6812173776217474E-5,-1.0641776650623806E-4,3.102093505831374E-5,29.425766076388896,0.8407361736111303,0.9528343300926031,0.4371828102777828,-1.6285588817501984,0.439855349107794,-3.751422788457861,-1.1632103223934658,-1.2287682537393292,54.71846854425551,1.5633848155500822,1.7718361242901393,0.8129601040860646,-3.028374782569192,0.8179298041620069,-6.975930866627239,-2.1630392653501884,-2.284947038111739,0.005764305555555549,1.6469444444449865E-4,1.8665370370373225E-4,8.564111111112596E-5,-3.1902350427349876E-4,8.616464311993914E-5,-7.348779693486562E-4,-2.2786491628615986E-4,-2.4070726495728175E-4,0.24461701367857605,0.00698905753367393,0.00792093187149694,0.003634309917510369,-0.013538244313479636,0.0036565267891404793,-0.031185656719219607,-0.009669791930151335,-0.010214776395369293,1.3287635006646874,0.037964671447545804,0.04302662764056202,0.01974162915272806,-0.07353995797884677,0.019862311552036247,-0.16940098225222766,-0.05252646323566541,-0.05548682750027897,0.16772460937500008,-0.009463909261621271,0.025818021797839503,0.02209830729166666,-0.014260885598776236,0.005869255599245745,-0.019622358417145592,-0.01607946572964231,-0.010172526041666696,-0.13405543622825353,-0.09271350211765012,0.010052142798825723,-0.11223876368746181,0.054842098075984634,-0.02440060782224183,-0.0554697202964932,0.016169504844094587,0.028571428571429216,0.03238095238095273,0.014857142857143023,-0.05534465534465547,0.014947965941343223,-0.12748768472906424,-0.039530332681017966,-0.041758241758242186,0.0285714285714272,0.032380952380951664,0.014857142857142541,-0.055344655344655456,0.014947965941343498,-0.12748768472906377,-0.03953033268101708,-0.04175824175824122,0.028571428571438007,0.03238095238095737,0.014857142857145449,-0.05534465534465444,0.014947965941343094,-0.1274876847290637,-0.03953033268101951,-0.04175824175824472,0.028571428571429913,0.03238095238095316,0.01485714285714325,-0.05534465534465535,0.014947965941343367,-0.1274876847290647,-0.03953033268101838,-0.041758241758242505,0.028571428571416008,0.03238095238094575,0.014857142857139516,-0.0553446553446568,0.014947965941343604,-0.12748768472906444,-0.03953033268101517,-0.04175824175823823,-0.05642528724250467,0.15393102952540108,0.1317535177098495,-0.08502560030944313,0.0349934074738145,-0.11699152849581995,-0.09586825564572761,-0.06065016982047564,1.289738625801687,1.0176714644080138,0.9063136529719645,1.056732958748617,0.8980083071161843,0.9910154206572456,0.9810603849071287,1.0053201132965341,1.1510204081632658,1.0519047619047626,1.0152000000000005,1.056443556443557,0.9604541154210035,1.1113300492610845,0.9795499021526425,0.9641025641025647,1.1510204081632647,1.0519047619047612,1.015199999999999,1.0564435564435555,0.960454115421002,1.111330049261083,0.979549902152641,0.9641025641025632,1.1510204081632647,1.051904761904762,1.015200000000001,1.056443556443558,0.9604541154210042,1.1113300492610856,0.9795499021526431,0.9641025641025647,1.1510204081632671,1.0519047619047623,1.0151999999999999,1.0564435564435573,0.9604541154210033,1.1113300492610847,0.9795499021526423,0.9641025641025642,1.1510204081632642,1.0519047619047603,1.0151999999999983,1.0564435564435544,0.9604541154210011,1.1113300492610818,0.97954990215264,0.9641025641025625,1.2526424770134477,0.775464385621267,0.8033657879130947,1.0649879529064388,0.858213023747018,1.1031419111728296,1.0975299041339595,1.0395197197720238,146.96825339667777,73.48412669833888,102.96732471719488,146.96825339667777,7.348412669833888,73.48412669833888,1.4210854715202004E-14,0.37851447942968136,0.01892572397148407,-1.9430019041366922,133.81307781831637,6.690653890915819,9.792887768919421,146.96825339667777,73.48412669833888,102.96732471719488,146.96825339667777,7.348412669833888,73.48412669833888,1.4210854715202004E-14,0.37851447942968136,0.01892572397148407,-1.9430019041366922,133.81307781831637,6.690653890915819,9.792887768919421,146.96825339667777,73.48412669833888,102.96732471719488,146.96825339667777,7.348412669833888,73.48412669833888,1.4210854715202004E-14,0.37851447942968136,0.01892572397148407,-1.9430019041366922,133.81307781831637,6.690653890915819,9.792887768919421,146.96825339667777,73.48412669833888,102.96732471719488,146.96825339667777,7.348412669833888,73.48412669833888,1.4210854715202004E-14,0.37851447942968136,0.01892572397148407,-1.9430019041366922,133.81307781831637,6.690653890915819,9.792887768919421,146.96825339667777,73.48412669833888,102.96732471719488,146.96825339667777,7.348412669833888,73.48412669833888,1.4210854715202004E-14,0.37851447942968136,0.01892572397148407,-1.9430019041366922,133.81307781831637,6.690653890915819,9.792887768919421,146.96825339667777,73.48412669833888,102.96732471719488,146.96825339667777,7.348412669833888,73.48412669833888,1.4210854715202004E-14,0.37851447942968136,0.01892572397148407,-1.9430019041366922,133.81307781831637,6.690653890915819,9.792887768919421,188.75401265367793,93.68981545810198,132.18547929511956,188.53151265367785,9.426575632683893,93.68981545810198,-0.44500000000010687,0.6216503476409783,0.031082517382048914,-0.9507549727206926,176.3025298776161,8.815126493880806,10.344402878291081,0,11.889999999999995,12.11038549882426,-0.17068045921961247,0.04999062109532563,5.4056088339933845,12.06911552519789,21.0,49.0,44.0,38.0,10.0,5.0,0.0,0.0,0.0,11.0,30.609795999999992,4.004580634926417,3.6227389669660437,3.2931016954844003,3.266027942987554,3.0238044204001677,2.8491863172922502,2.5755313058691844,2.4904786686624374,2.1282720409744984,1.92638610561274,1.7886074377691525,1.6607471768434632,1.4734257103828,1.320282095138328,1.286589872450259,1.195147046527232,4.0118039812395745,3.6405779521618524,3.3273669544944,3.289590844964214,3.055088913213073,2.8693190443235683,2.6297595711422015,2.5401245009342,2.1071043201246784,1.8773305352895,1.7181003808411082,1.5964033251857093,1.4122572081014797,1.220685282018847,1.1803946770245644,1.136104129970658,4.044955804625881,3.7237901608287443,3.4768696526684977,3.397727236950206,3.193724770148714,2.962448681621071,2.8629811409495973,2.789011143925722,2.051905080102018,1.741326104433863,1.5064320677109362,1.42031937254785,1.2211359637132269,0.9821764199986059,0.9081829248737109,0.8384529233706814,4.0171910541074425,3.6539760487380675,3.3525575515822834,3.307175154093041,3.0782791290300047,2.8843540214539325,2.6694946847050414,2.580304646933403,2.094346638269118,1.8467436091979568,1.672812438072325,1.556528040828014,1.3723201605948412,1.1555294161292238,1.11389197317879,1.096511671527696,4.062141859003623,3.767091353237816,3.548797435837996,3.4535004286266338,3.2602073345528364,3.0113696851863874,2.97232868787705,2.908489293507481,2.0363100038514954,1.701971097013553,1.4392008584773317,1.369565612267703,1.1587006018372197,0.9380063358095246,0.8048937202744854,0.7255359801843,4.06590914674755,3.6089209035031153,3.3594272503344045,3.327277592431241,3.1273386723827916,2.9797884464889983,2.700205027878844,2.6593443957015848,2.0707786814500384,1.8750882654955399,1.6809646749560117,1.5115845433734576,1.2703227870521565,1.0931541119474664,1.0099194646347998,0.9788100862826757,0,0,0,7,3,3,6,0,1,0.0,0.0,0.0,0.15137471507731048,0.24809686593468416,0.0,0.0,0.0,0.051834038994012184,0.07188092334087419,1.2802567583920093,0.14433756729740646,0.3596262622139681,0.07216878364870323,0.9785533905932737,0.125,0.18729557464220237,0.041666666666666664,3.082867159569456,4.675859073714067,6.159803233483118,2.002333919975355,2.7424403192436,3.1945690319180824,14.424438962994,9.692818554270966,8.175729303223452,6.728170255662771,5.200819483204386,4.449367434588441,2.7986629821312166,1.973156044869525,0.7212219481497,0.4615627882986174,0.29199033225798043,0.18689361821285477,0.11820044280009968,0.07945298990336502,0.04997612468091458,0.032885934081158745,13.284092571446669,8.186704484461853,6.329696770174631,4.610602601696582,3.1122988920979804,2.417265742196346,1.2918235346437628,0.7801355939422412,0.6642046285723334,0.38984307068865964,0.22606059893480826,0.12807229449157173,0.07073406572949956,0.04316545968207761,0.023068277404352907,0.013002259899037354,27.585589253002198,46.429715950473465,44.156862745098,44.64000000000002,31.179762874251537,362.85173892215573,0.5746997761042124,0.9672857489681972,0.9199346405228751,0.9300000000000005,0.6495783932135737,7.559411227544911,6.477900000000006,90.35000000000008,154.1235307748424,214.14471406995085,308.2470615496848,15.412353077484239,154.1235307748424,0.5060700157779081,0.025303500788895407,-1.3621604963289686,100.25225893020122,5.012612946510061,9.215379197804806,317,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,9.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,6.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,1.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.01974432056773,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6653576038810076,0.0,2.439871358074145,0.0,0.0,2.6653576038810076,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.045328430755019,0.0,7.841622260015116,0.0,0.0,15.763350812547241,0.0,0.0,0.0,0.0,1.5260185185185187,2.730374989501974,0.34330498866213144,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.351465786932057,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3312542517006803,0.0,0.23819998128574968,0.0,0.0,0.3312542517006803,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.292293845007139,0.0,1.2870002676996726,0.0,0.0,2.120406431090955,0.0,0.0,0.0,0.0,1.5260185185185187,1.351465786932057,0.34330498866213144,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.417314814814815,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.41787413827254194,0.0,0.30702699829931973,0.0,0.0,0.41787413827254194,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4607407407407407,0.0,1.3264296737213404,0.0,0.0,2.417314814814815,0.0,0.0,0.0,0.0,1.5260185185185187,1.378909202569917,0.34330498866213144,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,35.25,1.7625,0.41787413827254194,2.4607407407407407,0.039027777777777745,0.34330498866213144,12.837744376784661,0.9066950113378686,0.4607407407407408,5.617358486604519,0.9066950113378686,0.4607407407407408,5.617358486604519,10.0,0.5,0.0,0.0,0.46667,0.7,0.43793,0.43793,0.7,0.02874,0.02874,-0.0,0.0,0.71429,0.0,0.0,0.15,0.15,0.05,20.5,1.025,10.5,0.525,10.0,0.5,-0.5,-0.025,0.0,0.0,21.26081,1.06304,32.1818,10.92099,0.54605,6.54568,0.32728,9.6928,3.14712,0.15736,0.2212,0.01106,0.3932,0.01966,0.20833333333333334,61.0,0,0,0,0,0,0,0.5,0.9798687566511528,2.380664640436764,3.335894855341961,4.1887218755408675,4.168833991324551,4.454448698502606,47.03370031925533,114.27190274096466,160.12295305641413,201.05865002596164,200.10403158357843,213.8135375281251,0.17544768770150695,0.42626331692099295,0.5972994187357953,0.75,0.7464390299462621,0.7975789806874132,4.605093744070004,3.204297860284393,2.249067645379196,1.3962406251802895,1.4161285093966063,1.1305138022185508,0.16987473032756237,0.41272339897508936,0.5783266739609556,0.7261768417400319,0.722728983090493,0.7722445136450928,6.772325919164824,18.379878387728848,25.104603442666527,26.136975851275142,27.490954214728433,28.236811156463155,75.8526440765277,52.49446935166992,34.65633924836629,29.874561983583753,27.41145996342077,25.09617838879709,16.3718820861678,7.8520408163265305,4.25,10,10,9,3.66,2.494399999999999,0.5129927840030091,8.380601271762263,1.7077447067242049,1.1905507889761497,20.52976014589401,13.648636263002967,4.983218050366922,1.6509636244473134,1.3103706971044482,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.244,0.231,0.8160000000000001,1.379,9.925,28.0,36.0,44.0,56.0,56.0,60.0,59.0,57.0,39.0,476.0,3.3141860046725258,3.8607297110405954,4.445588116163626,5.017279836814924,5.624468667936475,5.902035477125285,6.288787496596443,6.590075662222253,6.884602593376598,6.441718770297513,8.252208856936043,8.05691143644958,0.5,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,3.0,0.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.3333333333333333,10.0,0.47619047619047616,1,5.0,10.0,1.0,4.0,2.666666666666667,1.1875,1.075555555555556,0.6041666666666666,0.3053061224489797,0.23263888888888892,0.10632401108591583,0.051250000000000004,0.024691358024691357,0.19047619047619047,0.09523809523809525,0.03958333333333333,0.039835390946502076,0.023237179487179484,0.013877551020408168,0.013684640522875819,0.009665819189628711,0.008541666666666668,0.012345679012345678,0.4464855458932256,85.32350577600906,120.83855824720725,170.6470115520181,8.532350577600905,85.32350577600906,0.07108509707031863,0.0035542548535159313,-5.287755138685277,280.3013154790257,14.015065773951283,11.271730302541549,0.0,294.7809403125347,5.321928094887363,4.59511985013459,5.424950017481403,6.293419278846481,7.1569563646156364,8.038189179973203,8.913684824725294,9.799958691707271,10.68021732183733,11.568483153888918,113.47097868321012,3.7612001156935624,0.0,5.043425116919247,0.0,6.555356891810665,0.0,8.176110342237342,0.0,9.852352140421358,10.063691304076464,268.2191008960003,5.5878979353333404,40.15518224466548,2.0077591122332743,0.0,0.0,0.0,818.0,30.0,8.41,98.0,1.251540966848426,2.184143018117412,2.9842954034494347,3.725382279865798,4.5399803995665575,5.521328159509509,6.346146221191579,7.308093628185306,8.350251699181115,9.231361855918408,96.72713940359269,123.15217803199758,134.14322761368243,145.72462941938556,163.14148964452653,180.12309242824287,165.96491457714862,160.99645338529496,155.23249176638654,116.32693151657993,334.19382882316035,459.00164110035195,531.5045523518413,608.6458426578073,695.5818822042701,814.8044575846342,805.8674792293097,843.4342029436913,874.8830072762236,811.9719502094458,9.169035405176034,15.74480276336787,21.30339225524743,26.49844186961488,32.168330271269696,39.13619853049278,44.63263806019471,51.21220804731676,58.28653191905294,64.09585012478061,2.4277684219292905,3.497474980124007,4.2004999530088565,4.9308462656116046,5.712460795149429,6.82148041777315,7.002332338683804,7.551914045079027,8.065995585668993,7.977843881068783,175.38792684118457,324.17092842701476,457.8845313096004,578.007470552537,713.6251112273511,865.5864608988588,1020.860282398478,1188.8794788934326,1375.268178408366,1544.7496849698503,2.9358190869634164,4.411191733735299,5.668711692661917,6.8483871956711475,8.015053872109673,9.999254010886489,10.889191290277203,12.140912829015972,13.706663194228524,14.616506755080328,0.4994346509950967,0.7265817818394816,0.8790137487286088,1.0364698712511577,1.204120670727303,1.4419619285423197,1.4907142391661616,1.6159785764858905,1.7347540015879903,1.733011878395182,468.74408077243686,452.52614109185305,17.426082836735013,204.54202909176078,-197.4651391084506,-11.098200640594776,264.20205168067605,649.9912802003037,28.52428347732979,0.6962034028401136,0.6721156644433495,0.02588213625890763,0.30379659715988666,-0.293285627336467,-0.016483632259743624,315.59887866514316,304.6795651475907,11.732739523316575,137.7153070709211,-132.95053534412128,-7.472264335798401,0.06489579918606793,0.06761533744751877,0.422074632603097,1.9584246974199997,673.2861098641974,0.0,1.0,0.0,1472.374878539414,38.37153734917867,11.37643351198763,1745.0980748847076,41.77437102919334,12.039449049313218,3059.5166121182415,55.31289733975469,14.517247193389963,1.9384382718231747,1.9384382718231747,3522.3863178413944,2945.9844583405397,983.6025228279922,1.1956567889789682,3.5811074454283123,2.995096484574308,7.128906067958099,6.879345938005832,12.52110072449412,0.8201004626500447,8.380969373481589,13.313864855912607,8.680177828573285,44.950617989807114,12.586864230569965,18.829895075913722,23.79597033168279,35.70171312594293,26.758591738407485,24.358771824703823,26.43017257705417,19.058542005985274,29.814842706691625,17.60631205234133,19.3757093081897,11.607557968626114,9.192960003309638,5.736310677029316,5.213154237844177,4.143796843580998,4.963179069433037,3.439311298916876,2.127190088878651,1.2713670886747843,1.0957073708139163E-10,2.4210340617788688E-42,1.0317713941793804E-95,8.480900559439056E-171,1.3445481639799036E-267,0.0,0.7034897538605605,12.150331923541367,0.5684348543771284,19.76928449174129,2.2105658720504695,3.4753167653198775,4.421346399029211,3.334661961804625,8.829767023694078,1.703724624294857,6.0143472676568805,3.4131129684739046,5.968333145199799,3.5420878708227463,5.153384587904071,2.40408698335246,0.5010495473596381,1.8288426161509084,1.3519204651944292,0.4711172764034549,0.6127288248325189,0.1919651372770438,0.0669229735203596,0.008954342359230504,7.717156603468102E-13,1.7051540853649156E-44,7.2668502922877E-98,5.973167608338241E-173,9.469762656274577E-270,0.0,2.2706269829002386,12.22808651457956,1.940288238115423,22.585291111253788,3.0443034975989334,5.745589674469601,7.606568882032906,8.146043026581063,11.37106604391867,4.7863800975571404,8.924074479129299,5.686958961760129,9.640656744423481,5.607412215061987,7.123539439341931,3.6506320053837995,1.7705109585340157,2.507464445042346,1.8788177196710825,1.1131719950742895,1.2803090572213005,0.6833870814362928,0.2895701912214056,0.09331115121741866,8.041872176715369E-12,1.77690202502126E-43,7.572618281666306E-97,6.224501181531756E-172,9.868222810376655E-269,0.0,7.910959558622612,13.186120905477184,8.083139018907334,42.586866291285475,11.497296806769526,17.584271146521104,22.33762797478856,33.08506386834313,25.265364512351976,22.426435666546997,24.73544094835729,17.775373715454094,27.932134007513316,16.46035689284789,18.174990877930227,10.820519239401666,8.482286184565403,5.455008618460434,4.884346121728261,3.880886532767157,4.618863461509621,3.1798646127452215,1.9310525300886492,1.1327651868978665,9.76255540781022E-11,2.1570977618554366E-42,9.192897366737207E-96,7.556329712206853E-171,1.1979682074761302E-267,0.0,3.3464175729140897,12.32889487980114,2.9663261726545205,25.20844707583622,3.997969363594266,7.560577735143247,10.021619975654398,11.982003878537919,13.4476512977373,7.360295807952201,11.29491192623914,7.520966745826697,12.516488430579727,7.264357399313173,8.752993675737589,4.694023606659136,2.791825010918654,3.0086434060519145,2.3180905231916005,1.5858762886157154,1.8040349825053048,1.0716341453382157,0.5011703085370034,0.2026842892986927,1.746802097608504E-11,3.859668639771509E-43,1.6448738811222952E-96,1.352044832538889E-171,2.1435098601473503E-268,0.0,10.121204180028517,13.851009811937601,11.004790108319469,54.63603718584198,17.1369085154593,23.788897066095537,29.50466574835454,46.11116583115971,32.7365566299659,32.132615415354245,33.21013953005655,24.17896566444663,37.265771473678555,22.17281143080731,24.19616245782553,14.775499166599284,12.027008209806693,6.825635236780911,6.535525647264134,5.160462715690293,6.326569945924907,4.468785124247299,2.9328896959693225,1.8541694137534832,1.5979862240299857E-10,3.530850646515389E-42,1.504741610912162E-95,1.2368596417567958E-170,1.960897134413443E-267,0.0,4.857316081010957,10.273399870472014,4.432855263301833,27.572179529041094,5.508872100686356,10.069111282484824,13.317819075623044,17.739529896005013,15.576989701795219,11.475801923891007,14.947915054259814,10.095807547935783,17.419224771602234,9.994501176317815,11.993299239295812,6.50885739061782,4.553954180515347,4.085891764466381,3.451028014014577,2.3872352834182418,2.900194779612194,1.809543322966391,0.902264965306953,0.40927264058743196,3.527250728438743E-11,7.793681402034487E-43,3.32143097567931E-96,2.730132467200341E-171,4.3283075546860743E-268,0.0,10.918366789452365,4.188188024289023,1.3207675216222166,0.6646467736222634,0.25495256857978493,0.44712681384366226,0.41369814684103673,0.44428592450770477,16.427322335363606,65.68041999397475,142.50402809362595,0.4969701604333951,1.3051108851924038,10.754159559538062,2.911698069836479,0.759008530139953,0.7455292437805205,0.2018526922633492,0.4344772424892329,0.20209783529156822,0.1469419029964336,14.424866159514494,41.68536814459392,79.87696642208995,0.6182938656707808,0.7835169807772348,10.81212240895585,3.3652477330011212,0.9587264953426411,0.7143269938110549,0.22233260091034313,0.43892925606092875,0.2689843955600407,0.23439388470579517,15.136096637299612,49.9776908150431,99.99750199493795,0.5714904907165824,0.9423075363267646,10.913479712985916,4.150595169730981,1.3042368880369741,0.6667443695986782,0.25357503130818104,0.44674868016968,0.40644524246222263,0.43326963163946947,16.368311770753873,64.94455832786704,140.391457300264,0.5001165543980175,1.286463554271372,10.840782387584479,3.588363898290593,1.0569219440829571,0.7000345230697631,0.23171561980779926,0.4411358687113556,0.30527617045854516,0.2848009755175603,15.486068229958029,54.15115349275711,110.75219575639309,0.5500517846046447,1.031213014687461,10.934000496917479,4.308265615320756,1.3735647492338527,0.6580471712835416,0.2592868001148552,0.4483371608331985,0.4372684263703794,0.48038311560460817,16.615830861472087,68.0428178089818,149.36258418855343,0.4870707569253124,1.365988702808186,10.95903493080308,4.152015581653289,1.307960488451695,0.6674601125607982,0.2528785431365908,0.45048973350642635,0.4068751621751083,0.43583461358610476,16.419011000908064,65.26674080186773,141.20067954568486,0.5011901688411973,1.2931995092676394 +UMLCN0096,L,1-butyltetralin,CCCCC1CCCC2=CC=CC=C12,Aromatics,Cyclic,C14H20,Creton (2011),Unknown,PubChem,,18,0,0.46700000000000186,0.21808900000000173,59.7209,37.975859999999976,6,6,34,14,20,0,14,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2040.0189739999976,2406.103575,3210.232219000002,3315.3031150000024,2796.749943000003,2175.3293629999976,1478.2180629999962,906.1513480000001,357.28274500000043,6550.911513109218,8647.485853650318,12686.566255195357,14111.397458407611,12928.845444401024,10900.166349645342,8089.81632337373,5370.660371464464,2849.893907865307,239.93650400000016,255.46037999999993,474.2059960000003,658.3987000000013,650.3878680000013,618.6291320000008,524.0092119999999,382.78292799999997,249.07344400000022,47.93685809698003,64.1043862,99.30529992364089,115.99236819062074,109.51526393092274,95.6839383103188,73.83750811516796,50.55414327607409,29.05325415213098,5473.474025744981,4964.366295608001,9892.008447018445,14662.21932149372,14550.819331649722,14170.822324535122,12317.33707507037,9143.100069812976,6090.1905079571325,60.833333333333336,75.5,123.1388888888889,154.83333333333337,151.75000000000006,140.33333333333337,115.41666666666667,84.0,53.0,60.00055805882346,68.74581642857143,48.63988210606063,35.64842059139787,30.399455902173944,24.7196518522727,19.709574173333284,16.475479054545456,9.924520694444457,192.67386803262406,247.0710243900091,192.2207008362933,151.73545654201732,140.5309287434894,123.86552670051525,107.86421764498306,97.64837039026298,79.16371966292519,7.056956000000005,7.298867999999998,7.184939333333338,7.079555913978509,7.0694333478261004,7.029876500000009,6.986789493333332,6.959689599999999,6.918706777777784,1.409907591087648,1.8315538914285712,1.5046257564188013,1.2472297654905455,1.1903833035969864,1.0873174807990773,0.9845001082022395,0.9191662413831654,0.8070348375591938,160.98453016897002,141.83903701737145,149.87891586391584,157.658272274126,158.1610796918448,161.0320718697173,164.23116100093827,166.23818308750865,169.17195855436478,1.7892156862745099,2.157142857142857,1.865740740740741,1.6648745519713266,1.649456521739131,1.5946969696969702,1.538888888888889,1.5272727272727273,1.4722222222222223,0.06296688687399964,-0.001355305067586965,-0.02002469370974476,-0.0017812182664689526,-0.013752535706762983,-0.004866095838575507,0.0019720699091381605,1.7188585253133598E-4,-0.003932563079973205,997.0141917647047,41.891352595154395,-133.633414778548,71.63421293771603,-283.6044570692052,-251.76702909688646,-105.56620853979223,-31.837427972317656,-37.28330380968778,1853.9904636171277,77.89875897550922,-248.49704113187613,133.20687784812102,-527.3745982642001,-468.1715414428129,-196.3048726182842,-59.20305682138724,-69.32989548820342,0.1953082352941172,0.008206228373704709,-0.026177868512108356,0.014032650519031908,-0.05555616608996483,-0.04931943252595199,-0.020679695501731293,-0.00623673356401507,-0.007303543252596361,8.288199992874123,0.348243697179603,-1.1108973940028548,0.595496722177096,-2.357609829905784,-2.092944620049307,-0.8775741168925631,-0.26466520985649467,-0.30993689048984063,45.02163390487408,1.8916652901203708,-6.034412275485621,3.2347476461063844,-12.806574014117594,-11.368908393625645,-4.7669965311040805,-1.437665620491547,-1.6835821082072568,4.751633986928104,0.5187427912341404,0.184736639753941,0.4260861207227986,-1.738081507112652,-1.3440984236831999,-0.39821222606689854,0.05372933487120346,-0.6389850057670133,0.0018519672609999894,-3.872300193105614E-5,-3.0340445014764785E-4,-1.915288458568766E-5,-1.4948408376916285E-4,-5.529654362017621E-5,2.6294265455175473E-5,3.1251973187515634E-6,-1.0923786333258904E-4,29.323946816608963,1.1968957884329827,-2.0247487087658786,0.7702603541689895,-3.0826571420565783,-2.860988967010073,-1.4075494471972296,-0.578862326769412,-1.0356473280468828,54.529131282856696,2.225678827871692,-3.765106683816305,1.432332019872269,-5.732332589828262,-5.320131152759237,-2.617398301577123,-1.0764192149343135,-1.9258304302278728,0.005744359861591683,2.3446366782013455E-4,-3.9663437139558116E-4,1.508887152584076E-4,-6.03871370543096E-4,-5.60448096885818E-4,-2.7572927335641726E-4,-1.1339515570936491E-4,-2.0287620146101004E-4,0.2437705880257095,0.009949819919417228,-0.016831778697012953,0.006403190561044043,-0.02562619380332374,-0.0237834615914694,-0.011700988225234176,-0.0048120947246635395,-0.00860935806916224,1.3241657030845317,0.05404757971772488,-0.0914304890225094,0.03478223275383209,-0.13920189145779993,-0.12919214083665506,-0.06355995374805441,-0.026139374918028126,-0.0467661696724238,0.13975394079200304,0.014821222606689725,0.0027990399962718334,0.004581571190567727,-0.01889219029470274,-0.015273845723672725,-0.005309496347558647,9.768969976582447E-4,-0.017749583493528148,-0.020909117966884168,-0.163828193152735,-0.010341913158521959,-0.08071637491499031,-0.029858272759270194,0.014198018511935036,0.0016875013854532612,-0.058984770213273044,0.04081632653061101,-0.06904761904761979,0.026267281105990727,-0.10512422360248498,-0.09756493506493542,-0.04799999999999998,-0.01974025974025934,-0.035317460317459595,0.04081632653061206,-0.06904761904761922,0.02626728110599072,-0.10512422360248455,-0.09756493506493515,-0.04800000000000003,-0.01974025974025973,-0.03531746031746027,0.04081632653062371,-0.06904761904761295,0.026267281105992274,-0.10512422360248364,-0.09756493506493613,-0.048000000000002874,-0.019740259740263676,-0.03531746031746623,0.04081632653061435,-0.06904761904761772,0.026267281105991035,-0.10512422360248419,-0.09756493506493513,-0.048000000000000494,-0.01974025974026049,-0.035317460317461455,0.04081632653060385,-0.06904761904762359,0.026267281105989852,-0.10512422360248488,-0.09756493506493404,-0.04799999999999765,-0.019740259740256578,-0.035317460317455716,0.10605226960110037,0.020028343962319232,0.032783127005960554,-0.13518180730817564,-0.10929098411904475,-0.03799174690508953,0.006990121295485819,-0.1270059605685467,1.1592876643095784,1.122195848914324,0.8912164157221268,1.0108361813042128,1.0259246842761642,1.0025529128508357,0.9776817879466703,1.0295017216040259,1.1448979591836757,1.153571428571431,0.9694700460829512,1.0888975155279523,1.0473214285714305,0.9617142857142875,0.9107142857142874,0.8904761904761921,1.144897959183673,1.153571428571428,0.9694700460829487,1.0888975155279497,1.0473214285714278,0.9617142857142851,0.9107142857142853,0.8904761904761903,1.1448979591836743,1.1535714285714294,0.9694700460829501,1.0888975155279517,1.0473214285714296,0.9617142857142863,0.9107142857142864,0.8904761904761912,1.144897959183673,1.1535714285714274,0.969470046082948,1.0888975155279486,1.047321428571427,0.9617142857142849,0.9107142857142853,0.89047619047619,1.1448979591836737,1.153571428571428,0.9694700460829486,1.0888975155279494,1.0473214285714278,0.9617142857142853,0.9107142857142858,0.8904761904761905,1.0693063470229909,0.9251203576341127,0.8442672050405996,1.0778138269242268,1.0698074277854195,0.9993053645116917,1.0312242090784047,1.253954607977992,81.3920851226551,40.49277636690062,59.89767587359982,81.39208512265506,5.813720365903934,40.49277636690062,-2.8421709430404007E-14,0.4047389929832219,0.028909928070230136,-1.2663180339602402,314.3040414887323,22.450288677766594,8.050505123386172,81.3920851226551,40.49277636690062,59.89767587359982,81.39208512265506,5.813720365903934,40.49277636690062,-2.8421709430404007E-14,0.4047389929832219,0.028909928070230136,-1.2663180339602402,314.3040414887323,22.450288677766594,8.050505123386172,81.3920851226551,40.49277636690062,59.89767587359982,81.39208512265506,5.813720365903934,40.49277636690062,-2.8421709430404007E-14,0.4047389929832219,0.028909928070230136,-1.2663180339602402,314.3040414887323,22.450288677766594,8.050505123386172,81.3920851226551,40.49277636690062,59.89767587359982,81.39208512265506,5.813720365903934,40.49277636690062,-2.8421709430404007E-14,0.4047389929832219,0.028909928070230136,-1.2663180339602402,314.3040414887323,22.450288677766594,8.050505123386172,81.3920851226551,40.49277636690062,59.89767587359982,81.39208512265506,5.813720365903934,40.49277636690062,-2.8421709430404007E-14,0.4047389929832219,0.028909928070230136,-1.2663180339602402,314.3040414887323,22.450288677766594,8.050505123386172,81.3920851226551,40.49277636690062,59.89767587359982,81.39208512265506,5.813720365903934,40.49277636690062,-2.8421709430404007E-14,0.4047389929832219,0.028909928070230136,-1.2663180339602402,314.3040414887323,22.450288677766594,8.050505123386172,99.36168117778152,48.499656289284985,73.72860282353902,99.24392386389333,7.088851704563808,48.499656289284985,-0.2845238095238045,0.47947617984728436,0.034248298560520314,-1.0290854881407672,124.83154315820165,8.916538797014404,6.757751243130425,0,11.850000000000003,12.150172447925994,-0.19981369647778924,0.10083995687507175,5.295538041633874,10.181524456203983,15.0,35.0,32.0,29.0,9.0,3.0,0.0,0.0,0.0,6.0,21.864139999999995,3.882075869121303,3.4115640908061424,3.2212559324110073,2.92905326428354,2.5931788058719416,2.521493971218991,2.265950511834247,1.8007799694607447,2.0724523578881966,1.8188206748429827,1.6593868892381243,1.4607680142248176,1.1964586957421026,1.0012163587934395,0.9633696112147063,0.7936256946236071,3.8930847894380696,3.4377565971170987,3.251867867434257,2.9615589072073183,2.6311306535251746,2.548178571414071,2.3165817277696896,1.8794370645801413,2.040115290366119,1.7572322687084405,1.5980911393055228,1.3797883427251616,1.106194619102358,0.9176824877238031,0.8684765826985154,0.6733663285381578,3.944039042719917,3.5554187936846855,3.3852746898442936,3.112716383078711,2.8055411497019134,2.672813870798809,2.5338878977278054,2.2085182323151633,1.954782661034249,1.57935979999522,1.411564487670679,1.1441843577686044,0.8413380269655791,0.6996263536230963,0.5759190780225735,0.2701193914297092,3.901320430846394,3.4571915068126993,3.2743745554622623,2.985994277759748,2.659606856142618,2.56811375828153,2.3536663334680807,1.9366604929155926,2.020466183503402,1.7182556720158546,1.5584813186314121,1.3282339136673202,1.0485665725462339,0.8669867914209578,0.8068841677603873,0.592618319348432,3.970628762406161,3.614062253149513,3.449156344804661,3.1900278586162765,2.8932492852107083,2.739520249129544,2.6355792880090623,2.3561630523198485,1.9306958790848325,1.5252393052662567,1.3517187711968426,1.073310947348314,0.7604879765122308,0.6397950234041988,0.47984802670148463,0.1282326808924336,3.9574617124431626,3.4591922449909296,3.2946296206254253,3.016596208876249,2.75869157275163,2.6291615816578866,2.410862601458584,2.006011327868453,2.01412356124899,1.6862765415743497,1.4887306023431541,1.2891714026922605,0.9660811314367874,0.7789285972350443,0.6639061381067114,0.48441829784812884,0,0,0,4,2,1,6,1,0,0.0,0.0,0.0,0.15137471507731048,0.25137565482875424,0.0,0.0,0.0,0.07880881408576065,0.13068931943367984,0.4694160968212876,0.0,0.13608276348795434,0.0,0.3297329732467056,0.0,0.07568735753865524,0.0,1.3806820952411107,2.4288690166235205,3.3728429314399624,0.8815734813208824,1.434447033322832,1.8493043421530875,9.803118619434356,6.91501490017253,5.541603156639756,4.651668418299142,3.8963919954970523,3.225078404990675,1.957663321411844,1.3150355080776421,0.7002227585310254,0.4610009933448353,0.29166332403367135,0.18606673673196567,0.12176224985928288,0.08269431807668398,0.05757833298270129,0.03984956085083764,9.129392033067417,5.993182156491986,4.430194197315388,3.3997606288062507,2.604916306486132,1.9844754217799057,1.1455876599596837,0.7006915324274641,0.6520994309333868,0.3995454770994657,0.23316811564817833,0.13599042515225002,0.08140363457769162,0.05088398517384374,0.03369375470469658,0.021233076740226182,19.418278037858727,32.878368536052434,31.254901960784323,31.599999999999984,21.98554491017966,257.2533293413174,0.5711258246429037,0.9670108392956598,0.9192618223760095,0.9294117647058818,0.6466336738288135,7.566274392391688,4.296700000000004,61.64600000000005,106.53931418531054,145.48072452808967,213.07862837062103,15.219902026472933,106.53931418531054,0.1455103184725498,0.0103935941766107,-2.698511588567191,75.9230287185895,5.423073479899251,6.061608065883368,181,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,8.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,6.0,0.0,0.0,4.0,1.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.290649801587302,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.468189444759385,0.0,2.2971903738347192,0.0,0.0,1.468189444759385,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2864396730914587,0.0,8.228558673469388,0.0,0.0,9.034119189342404,0.8610185185185183,0.0,0.0,0.0,3.256530612244898,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6109750566893426,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.34330073696145125,0.0,0.22804744583018394,0.0,0.0,0.34330073696145125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2864396730914587,0.0,1.304363425925926,0.0,0.0,2.1815813964474677,0.8610185185185183,0.0,0.0,0.0,1.6109750566893426,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.342083333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3883914005416982,0.0,0.35930555555555554,0.0,0.0,0.3883914005416982,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2864396730914587,0.0,1.4137037037037037,0.0,0.0,2.342083333333333,0.8610185185185183,0.0,0.0,0.0,1.6455555555555557,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.666666666666668,1.6904761904761905,0.3883914005416982,2.342083333333333,0.0559722222222222,0.8610185185185183,8.672347849820483,0.47231481481481496,0.3420833333333333,2.6411177248677244,0.47231481481481496,0.3420833333333333,2.6411177248677244,7.0,0.5,0.0,0.0,0.46471,0.7,0.44,0.44,0.7,0.02471,0.02471,-0.0,0.0,0.71429,0.0,0.0,0.07143,0.21429,0.0,13.5,0.96429,7.5,0.53571,6.0,0.42857,-1.5,-0.10714,0.0,0.0,12.74034,0.91002,18.20261,5.46227,0.39016,4.96057,0.35433,6.915,1.95443,0.1396,-0.001,-7.0E-5,0.171,0.01221,0.29411764705882354,43.0,0,0,0,0,0,0,0.5714285714285714,0.9774178175281716,2.334238121413963,3.4999872985727785,4.241730855892591,4.3342381214139625,4.477024973539648,33.23220579595783,79.36409612807473,118.99956815147446,144.2188491003481,147.36409612807472,152.21884910034802,0.19212284158678056,0.45882165516520607,0.6879632162016127,0.8337615405265753,0.8519449196308512,0.8800113363460625,4.110045023722169,2.753224719836377,1.5874755426775615,0.845731985357749,0.7532247198363775,0.6104378677106919,0.18624834566108736,0.4447923709758488,0.66692752321881,0.8082678057245596,0.8258951958293955,0.8531034321779177,6.779077412629033,18.3929446278957,24.614401102686934,26.008547354607977,26.74837701997169,27.538879711313854,53.28296504458375,36.137940496090756,24.04141877403995,20.163366659148917,19.026361709790187,17.62075020164864,10.515555555555556,5.185595567867036,2.5344,4,6,4,3.0,1.7350000000000003,0.0,2.253301022366838,0.6082201995573401,0.0,14.752754450523605,13.310616537480769,0.0,2.381101577952299,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.133,0.132,0.64,0.865,7.018,19.0,25.0,32.0,39.0,34.0,33.0,30.0,27.0,13.0,281.0,2.9444389791664403,3.3843902633457743,3.886705197443856,4.367864320861377,4.812692356399344,4.718498871295094,4.867774806183215,4.9288375750686,4.982535843150089,4.324546477903756,6.808832330982735,3.219973309608541,0.5,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,3.0,0.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.2,4.0,0.26666666666666666,1,4.0,8.0,1.0,1.5,1.333333333333334,0.6875,0.4755555555555556,0.18055555555555552,0.12081632653061224,0.07118055555555555,0.02040816326530612,0.0,0.0,0.1,0.07017543859649127,0.03618421052631579,0.031703703703703706,0.016414141414141412,0.01725947521865889,0.017795138888888888,0.02040816326530612,0.0,0.0,0.3099402716135061,44.97251980589729,65.3077218344367,89.94503961179458,6.424645686556755,44.97251980589729,0.24748443437403114,0.01767745959814508,-1.9549706265168747,134.96322368394257,9.640230263138756,6.867003253838218,0.0,207.1779499589336,4.807354922057604,4.23410650459726,5.056245805348308,5.8998973535824915,6.748759547491679,7.605392364814935,8.462314529906248,9.323222529032856,10.182973629388371,11.045494523523427,97.55840678768557,3.4339872044851463,0.0,4.672828834461906,0.0,6.150602768446279,0.0,7.747164966520335,0.0,9.404343433543975,9.62066034281053,188.15650064,5.534014724705882,28.55841846141948,2.0398870329585344,0.0,0.0,0.0,303.0,19.0,5.665000000000001,68.0,1.2591370635798282,2.1928357626243313,2.958972705539793,3.7495088521779443,4.639533535358994,5.259075389550591,5.708837175076473,6.255935376582307,6.467492629661099,6.07878260314768,97.77767263883648,116.26633929059221,115.534796229424,126.02307811465586,117.14652741823352,103.90331147517972,94.07986666018826,58.09312373024113,20.51577363638218,6.176432166884644,337.30503664981615,446.8803229997638,477.2955613643525,564.9142993220463,584.1077048904544,565.7661570397404,559.2532565367848,481.03739727410385,306.2079492272639,188.95132488742743,9.226168905316712,15.80455876559665,21.01078866938133,26.607541538580726,32.64642236473175,36.731735682463345,39.742761478767086,43.23950383124593,43.953477470827266,40.84008208307397,2.4483787684383556,3.447953612685614,3.8621281110112293,4.706217404760719,5.109530175108893,5.161667372013319,5.263582440609424,4.9535286724799965,3.716556592878164,2.7027051911310553,176.36009584359647,325.2469991098074,462.03002123873284,585.574881455396,744.7359698556119,864.7212785137821,948.1311508361654,1061.6218632925204,1155.9785911115557,1124.0742061399208,2.7971625804160447,4.198679131077099,5.0553997247663975,6.375445665698874,7.425365034122828,8.008413599080065,8.650227400699467,9.042231499347368,7.724760417118615,6.07878260314768,0.5035968839779392,0.7177639860190391,0.8119221638514801,0.9938812324588391,1.0886820340864645,1.1083415994433863,1.1360615245342995,1.0840704435057853,0.8352712928314507,0.6224673385623224,371.384946340444,253.23074994301504,12.79721832384348,88.46505655521572,-60.320357181878904,-5.039276918647346,282.9198897852283,313.551107124894,17.836495242490827,0.8076219288938691,0.5506811967998905,0.027829114370468266,0.19237807110613087,-0.1311739845646269,-0.010958523185637037,170.7813686500576,116.44816109456555,5.8848008832758145,40.680656513080656,-27.738316424754245,-2.3173115056320133,0.0909958150312732,0.0957330077176131,0.8072185387729534,0.9363196117821541,459.85000289565977,0.0,1.0,0.0,1024.2750419002537,32.00429724115581,10.080270743062073,1218.8650127104286,34.91224731681461,10.68198270055146,2042.3044141196133,45.191862255494776,12.687425117166816,1.7010223006947607,1.7010223006947607,1248.614832781996,874.9706191324074,499.9814997328323,1.4270362975388615,2.497322067814909,1.7500059894215136,5.225039771340761,5.230169165042567,8.762440621936952,0.6753646670749006,5.917245570483901,9.315436828527087,4.229376431365213,35.6868433479869,11.844303534830104,13.841810954058964,16.261109512769785,21.983787177876007,16.226108272779587,9.841927294656,11.03138472096965,8.820252448068507,6.766657791525652,4.416634162815959,1.3847369769107172,0.7414722453111572,0.0035414516100908404,2.3694517878248335E-24,3.0583630058817304E-67,7.613881129400848E-132,3.6559399811121435E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.49562794245706726,9.211637202699862,0.5452462030293561,12.922025178105702,1.354621600264198,3.294433089040195,4.730525528241969,1.7142793961672427,3.117781508878539,1.5769604637837542,2.3871637315562966,0.3294275955744818,1.2049290603365288,0.17276539989900702,0.061426093190069614,0.00522224965041615,2.4942733257670768E-5,1.6688242680551542E-26,2.15403007183485E-69,5.362518734553232E-134,2.574908421594812E-220,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6005787715610458,9.232782477702749,1.245227291075003,15.131468171906587,2.543569396779269,5.30529630752514,6.838030947760886,4.804467594322289,4.759673550388722,2.8341530229632657,3.695177343241603,1.3340967772696806,1.8160487272148709,0.6881045087403295,0.23439050291590005,0.05441986773298021,2.599225114933549E-4,1.7390435543408509E-25,2.244665411443402E-68,5.588157973772134E-133,2.6832531017846146E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.584730637074379,9.30906727539546,3.9854306820779812,33.4309467292945,10.865268859253412,13.14584432294705,15.468141864830976,20.372419910365192,15.057902799637924,9.183880525549482,10.34071262994759,8.04273489166887,6.240746636699421,4.032681924289682,1.2693558313965545,0.6606384214451875,0.0031553696259164956,2.1111388844260505E-24,2.7249463768723782E-67,6.783831009463934E-132,3.2573767033002274E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3596026629473115,9.2473106478695,1.7411906829484314,17.37187873301674,3.642478590865062,6.7278777952379025,8.357849210913283,7.236735258782147,6.193736666612814,3.8248116361274906,4.728618970500251,2.24007419441506,2.3911935337947803,1.1460655425288817,0.38197145513638553,0.11820722465943719,5.645864275322373E-4,3.7774349825538945E-25,4.875713220724284E-68,1.213822584573809E-132,5.828384291139403E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.149088344803677,9.339037464549966,5.1534962985315245,45.018434122087235,15.851711889010899,16.475732805839424,19.295977281178846,28.370609969267765,20.966698440508903,12.451043969654224,13.771979962897976,11.991666412409643,8.924407501733324,5.979194527081086,1.8509648451291378,1.0813675850584707,0.005164874342124941,3.455622747736667E-24,4.460335014312813E-67,1.1104130062706972E-131,5.331844871462328E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.486206038042899,8.194627163720066,2.4221500166733714,20.528377206859652,5.560627181124455,8.935792042264863,11.205325431330722,11.180819214005444,8.815320226231114,5.780332208445549,6.938274736526766,3.8318114066796154,3.707256774471346,2.0111717741855983,0.692602671996675,0.2594638049452256,0.0012392621781789806,8.291436131170415E-25,1.0702147078705361E-67,2.6643297584334646E-132,1.2793251590322992E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.815740841827617,2.916837039798977,0.7472225870518101,0.6134876847928424,0.3076897081785961,0.49264629696470635,0.38991008453777404,0.40767003159229553,9.479800468678405,23.48874773765492,45.64410959807161,0.4202315271892637,1.2902264130947758,4.3767496008374795,2.3486134224771615,0.339735107468929,0.6194888619830206,0.33242474187923043,0.2849503623739146,0.258709697196957,0.08238908560393612,7.06509813078357,12.564134788841825,23.12146958390074,0.4292332929745308,0.6260491451748077,4.885488941669618,2.556573387853095,0.48605443134925563,0.6162231320534046,0.3224691897161101,0.3507644408459508,0.3038063127786609,0.17025972245786108,7.928116760871969,16.107358388565007,30.106348956284513,0.4243346980801069,0.8248304760824727,5.773175931009902,2.900723030338341,0.7354086642355973,0.6135601216090202,0.308282303625752,0.48555946571704306,0.38582535004113583,0.3946900271899566,9.40930762558384,23.12524483015506,44.849988624348526,0.4203401824135302,1.2660748429481354,5.137163277957258,2.656033665630338,0.5574007243549572,0.6151851019812057,0.3180650980021098,0.38643940935382615,0.32651513609026933,0.22482369733304458,8.350597667942553,17.988412233490944,33.94445216326063,0.4227776529718086,0.9377782427771402,5.951702021546619,2.9681330128415038,0.784885753778541,0.6132790578378882,0.30584424607667865,0.5156609583515513,0.4030642705416697,0.4504674828489379,9.704720788166663,24.666494697293995,48.23657022872584,0.4199185867568322,1.369192711742159,5.775506343093296,2.912131140700534,0.7371580298798137,0.6127991142846653,0.30898613518729057,0.48600542699747995,0.3890053620032724,0.3964246408098005,9.424795513673644,23.22319360689893,45.046273522059494,0.41919867142699785,1.2714354298105528 +UMLCN0097,L,n-nonylbenzene,CCCCCCCCCC1=CC=CC=C1,Aromatics,,C15H24,NREL (2014),Unknown,PubChem,,50,0,-0.6944999999999997,0.48233024999999957,60.881,42.403031999999975,6,6,39,15,24,0,15,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2188.347350999997,2454.5319270000005,2864.2216000000008,2627.341261999999,2158.2276349999966,1939.2888579999956,1742.532128999996,1545.7753999999966,1349.018670999997,7098.763392582267,9106.432319132395,12281.339353402858,12503.039882280373,10888.279327920825,9714.175239086513,8707.376894131368,7700.57854917623,6693.780204221108,274.35087600000014,283.930908,514.8448000000004,695.3975600000015,651.423116000001,587.7398800000003,524.8549799999998,461.9700799999998,399.08517999999987,52.50420971637604,68.55856344,99.6226359033389,108.27647295426173,96.56914002426176,86.20974835456383,77.1882194951679,68.16669063577203,59.145161776376085,6339.938989931978,5576.856486459603,10953.318516787242,15998.751504687763,15159.000793279067,13743.635846863168,12264.680691824571,10785.725536785974,9306.770381747378,68.77777777777777,83.91666666666667,131.83333333333334,156.25,141.0,126.58333333333334,114.33333333333333,102.08333333333333,89.83333333333333,56.11147053846147,62.93671607692309,39.78085555555557,26.538800626262617,23.206748763440824,23.086772119047566,23.233761719999947,23.420839393939342,23.666994228070124,182.01957416877607,233.49826459313832,170.5741576861508,126.2933321442462,117.07827234323469,115.64494332245849,116.09835858841825,116.67543256327622,117.43474042493172,7.03463784615385,7.280279692307692,7.150622222222228,7.0242177777777925,7.004549634408613,6.9969033333333375,6.998066399999998,6.999546666666664,7.00149438596491,1.3462617875993856,1.7579118830769231,1.3836477208797069,1.0937017470127448,1.0383778497232448,1.0263065280305217,1.029176259935572,1.032828645996546,1.037634417129405,162.56253820338404,142.99632016563083,152.12942384426725,161.60355055240166,163.00000852988245,163.61471246265677,163.52907589099428,163.4200838906966,163.2766733639891,1.7635327635327633,2.1517094017094016,1.8310185185185186,1.5782828282828283,1.5161290322580645,1.5069444444444446,1.5244444444444445,1.5467171717171717,1.5760233918128654,0.0776543528919835,-0.0010620819558351726,-0.032208686299804105,-0.011845508658591731,-0.004270757866156411,0.0067873210705726335,8.737206871043146E-4,-4.978867699420098E-5,-6.764267520156493E-5,1117.5323907692316,-1.5276668818842154E-12,-358.8998254970423,-24.356475183431197,-75.9348932189338,14.327338343195844,11.461870674556604,8.596403005917391,5.73093533727835,2078.099200977439,-1.5631940186722204E-13,-667.389551083141,-45.29190566233071,-141.20417647667352,26.642297448427875,21.31383795874222,15.985378469056734,10.656918979371191,0.2189169230769231,3.2977093278319103E-15,-0.07030601183431646,-0.004771266272189469,-0.01487512426035573,0.0028066272189340028,0.002245301775147147,0.0016839763313603049,0.001122650887573449,9.290070321683077,1.815214645262131E-14,-2.9835418148482065,-0.20247589162643312,-0.6312483680118085,0.11910346566259458,0.09528277253007547,0.07146207939755636,0.04764138626503639,50.46380943183688,-5.919709167301335E-13,-16.206646490609653,-1.0998522568476812,-3.4289511537015964,0.6469719157929484,0.5175775326343686,0.388183149475785,0.25878876631720504,5.52706552706552,0.714387464387467,0.05829498137190692,0.34368836291913474,-0.6528599605522656,-0.16299583607275797,-0.2657243041858417,-0.3684527722989249,-0.47118124041200865,0.0019911372536406025,-2.7232870662440324E-5,-4.47342865275057E-4,-1.1965160261203769E-4,-4.5922127593079696E-5,8.080144131634088E-5,1.1649609161390862E-5,-7.543738938515299E-7,-1.186713600027455E-6,28.654676686390555,-3.9170945689338856E-14,-4.984719798570032,-0.24602500185284037,-0.8165042281605784,0.17056355170471243,0.1528249423274214,0.13024853039268774,0.10054272521540965,53.28459489685741,-4.008189791467232E-15,-9.269299320599181,-0.4574939965891991,-1.5183244782438012,0.3171702077193795,0.28418450611656293,0.24220270407661718,0.18696349086616126,0.005613254437869823,8.455664943158744E-17,-9.764723865877287E-4,-4.819460880999463E-5,-1.599475726919971E-4,3.3412228796833365E-5,2.993735700196196E-5,2.551479289939856E-5,1.9695629606551736E-5,0.2382069313252071,4.6543965263131565E-16,-0.04143808076178065,-0.0020452110265296274,-0.006787616860342027,0.0014178984007451735,0.001270436967067673,0.001082758778750854,8.358137941234454E-4,1.293943831585561,-1.5178741454618808E-14,-0.22509231236957852,-0.011109618756037184,-0.03687044251292039,0.0077020466165827195,0.0069010337684582475,0.005881562870845227,0.004540153795038685,0.14171962889911588,0.018317627291986334,8.096525190542628E-4,0.0034715996254458055,-0.007019999575830813,-0.0019404266199137853,-0.0035429907224778893,-0.005582617762104923,-0.008266337551087872,-0.01367704341458513,-0.2246670160267122,-0.06009209178988855,-0.023063265733748648,0.04058054821113072,0.005850731354702281,-3.7886584286052105E-4,-5.959978890745295E-4,-1.3670000927961253E-15,-0.1739583333333336,-0.008585858585858313,-0.028494623655913535,0.005952380952381188,0.005333333333333511,0.004545454545454664,0.0035087719298247076,-7.522230016435059E-17,-0.17395833333333383,-0.008585858585858948,-0.028494623655914254,0.005952380952380767,0.005333333333333147,0.004545454545454406,0.0035087719298244656,1.5063747843163135E-14,-0.17395833333332575,-0.0085858585858588,-0.02849462365591532,0.005952380952379026,0.005333333333331475,0.004545454545452813,0.00350877192982295,1.9539299299224997E-15,-0.17395833333333263,-0.008585858585858886,-0.028494623655914417,0.005952380952380504,0.005333333333332921,0.004545454545454179,0.003508771929824191,-1.1730603047907592E-14,-0.17395833333333874,-0.00858585858585823,-0.028494623655912814,0.005952380952382498,0.005333333333334819,0.004545454545455912,0.0035087719298258204,0.12925257731958828,0.005713058419244237,0.024496251171509123,-0.04953441968739594,-0.01369201030927827,-0.024999999999999946,-0.039391986879100206,-0.05832881172002167,1.2210601556891696,1.2430523673998148,0.9556929521871153,0.9163553675743995,0.8371726592202238,0.8787721705291455,0.9109817853289008,0.9465104952021437,1.2666666666666666,1.2864583333333333,0.9771885521885522,0.9738351254480287,0.9311507936507937,0.9331111111111111,0.9356060606060606,0.9388888888888888,1.2666666666666666,1.286458333333333,0.977188552188552,0.9738351254480284,0.9311507936507936,0.933111111111111,0.9356060606060604,0.9388888888888888,1.2666666666666648,1.2864583333333315,0.977188552188551,0.9738351254480273,0.9311507936507921,0.9331111111111097,0.9356060606060591,0.9388888888888874,1.266666666666667,1.2864583333333324,0.9771885521885514,0.973835125448028,0.9311507936507933,0.9331111111111111,0.9356060606060608,0.9388888888888891,1.2666666666666668,1.2864583333333324,0.9771885521885515,0.9738351254480279,0.9311507936507931,0.9331111111111107,0.9356060606060603,0.9388888888888889,1.1018041237113416,0.980095575601376,0.847832708528586,0.872755237778518,0.8355347938144342,0.8899639175257745,0.9592373477038437,1.050386597938146,127.7946838094532,63.89734190472655,103.50068287469763,127.79468380945315,8.519645587296877,63.89734190472655,-1.0658141036401503E-13,0.27597982030055057,0.01839865468670337,-1.9311412961866288,119.03274949429085,7.935516632952724,7.16909799162559,127.7946838094532,63.89734190472655,103.50068287469763,127.79468380945315,8.519645587296877,63.89734190472655,-1.0658141036401503E-13,0.27597982030055057,0.01839865468670337,-1.9311412961866288,119.03274949429085,7.935516632952724,7.16909799162559,127.7946838094532,63.89734190472655,103.50068287469763,127.79468380945315,8.519645587296877,63.89734190472655,-1.0658141036401503E-13,0.27597982030055057,0.01839865468670337,-1.9311412961866288,119.03274949429085,7.935516632952724,7.16909799162559,127.7946838094532,63.89734190472655,103.50068287469763,127.79468380945315,8.519645587296877,63.89734190472655,-1.0658141036401503E-13,0.27597982030055057,0.01839865468670337,-1.9311412961866288,119.03274949429085,7.935516632952724,7.16909799162559,127.7946838094532,63.89734190472655,103.50068287469763,127.79468380945315,8.519645587296877,63.89734190472655,-1.0658141036401503E-13,0.27597982030055057,0.01839865468670337,-1.9311412961866288,119.03274949429085,7.935516632952724,7.16909799162559,127.7946838094532,63.89734190472655,103.50068287469763,127.79468380945315,8.519645587296877,63.89734190472655,-1.0658141036401503E-13,0.27597982030055057,0.01839865468670337,-1.9311412961866288,119.03274949429085,7.935516632952724,7.16909799162559,154.35670461030713,76.65313408768472,126.52034695116245,154.18514905475155,10.279009936983439,76.65313408768472,-0.2859259259259517,0.3542666770531574,0.023617778470210495,-1.5565579866694572,143.99244765284865,9.59949651018991,7.454641277018098,0,11.85,12.15018814927428,-0.21004416876433024,0.09016887759177034,5.129498134996728,8.753474287935166,15.0,39.0,36.0,33.0,9.0,3.0,0.0,0.0,0.0,6.0,26.236967999999994,3.7852917156553922,3.493099484201351,3.2860601585600993,3.004307203252044,2.702122777812637,2.619181913839715,2.389172823040515,2.042568668271533,1.9960869641147205,1.9031201513420364,1.7521650961254243,1.5430904242896397,1.3045578633950683,1.0822503020169492,1.0761554083972762,0.8957436540943428,3.797672409608439,3.521568762044945,3.3178387757995558,3.039698576438536,2.7398182319470505,2.645815031898679,2.436414624214209,2.1076128516764556,1.9600521823428785,1.8453974414202239,1.6854360871535603,1.464814429125788,1.2145820628132085,1.0071675921888013,0.9764713200676244,0.7862367369415765,3.854379372628092,3.6456368315005077,3.457570561951386,3.1989320311687095,2.9131830905022293,2.7718202154797895,2.641662118839451,2.383182944675759,1.8662329782107592,1.6701622363311868,1.4853752878071094,1.2311171662075107,0.9490145695531166,0.798620231484353,0.6822225500954775,0.43546822080921077,3.8069017524980255,3.542485521564582,3.341265376329267,3.066018446284487,2.7680266250717462,2.665925019264024,2.4710919692238735,2.155114302117385,1.9383905984500158,1.8080419628143496,1.642550586921072,1.4145474378666987,1.1569300290869888,0.9602789912487913,0.9128033963708808,0.7143451526278838,3.883670969470307,3.7053063674101803,3.525300403542722,3.2775156439251987,3.001077944078493,2.8380785876458865,2.740491225072925,2.508934115060356,1.8396142709847982,1.6143854758750587,1.422216133635441,1.158199771508611,0.8682052111831521,0.7385642758080646,0.5900262967282223,0.31539197164521515,3.9220460109021564,3.4934563398952214,3.3267435449423752,3.0828101894574287,2.8374265256723272,2.8136985751008567,2.5243569866387654,2.2059221448126376,1.8916578258958807,1.7947314061949065,1.6178815544807006,1.3727488754395512,1.095275224606806,0.8295917201601518,0.7857516299929838,0.6118517085598326,0,0,0,5,1,1,8,0,0,0.0,0.0,0.0,0.10206207261596577,0.07216878364870323,0.0,0.0,0.0,0.032075014954979206,0.022680460581325723,0.20412414523193154,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.4330127018922194,0.6123724356957946,0.6495190528383291,0.21941609682128765,0.2730017401615745,0.25598544629150227,10.769738424614747,7.431851652578137,5.414031322908343,3.940670697680658,2.865934284052063,2.0827077845361237,1.0956333154323725,0.7122297470361302,0.7179825616409832,0.4954567768385425,0.33837695768177145,0.23180415868709753,0.15921857133622572,0.10961619918611178,0.07825952253088375,0.05478690361816386,10.043605595440512,6.47134377430278,4.356918903213132,2.9118298825622118,1.9309081642608361,1.2695962951667712,0.71862995970812,0.44564811767342716,0.6695737063627009,0.43142291828685203,0.27230743145082076,0.17128411073895364,0.10727267579226868,0.06682085764035638,0.051330711407722864,0.034280624436417474,21.501933645430462,37.65404224326294,35.705882352941174,36.12,24.5826538922156,296.56714491017965,0.5513316319341144,0.9654882626477678,0.9155354449472096,0.9261538461538461,0.630324458774759,7.604285766927683,4.979700000000005,68.13900000000005,89.0564365269554,136.1739969865167,178.1128730539108,11.874191536927386,89.0564365269554,0.17071373446866495,0.01138091563124433,-2.6516507890963474,110.68074263505308,7.378716175670205,7.05997479696828,279,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,9.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,8.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.320666199547874,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9572304675885992,0.0,2.2302114652030363,0.0,0.0,1.9572304675885992,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.273217198916604,0.0,11.072783268202189,0.0,0.0,10.828945651760858,0.0,0.0,0.0,0.0,1.4917205477870161,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4917205477870161,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3729919515058855,0.0,0.21158374356800932,0.0,0.0,0.3729919515058855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.273217198916604,0.0,1.2585493827160494,0.0,0.0,2.091516096988229,0.0,0.0,0.0,0.0,1.4917205477870161,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.233217198916604,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.41317932823172376,0.0,0.35930555555555554,0.0,0.0,0.41317932823172376,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.273217198916604,0.0,1.4331643675988914,0.0,0.0,2.233217198916604,0.0,0.0,0.0,0.0,1.4917205477870161,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,25.666666666666664,1.711111111111111,0.41317932823172376,2.273217198916604,0.11255806720836484,1.2585493827160494,9.855310224639327,0.24145061728395062,0.27321719891660373,2.2043257013549225,0.24145061728395062,0.27321719891660373,2.2043257013549225,7.5,0.5,0.0,0.0,0.45385,0.7,0.43333,0.43333,0.7,0.02051,0.02051,-0.0,0.0,0.71429,0.0,0.0,0.06667,0.06667,0.0,13.5,0.9,7.5,0.5,6.0,0.4,-1.5,-0.1,0.0,0.0,13.60053,0.9067,18.84122,5.24069,0.34938,5.44966,0.36331,7.43185,1.98218,0.13215,-0.01785,-0.00119,0.06815,0.00454,0.15384615384615385,15.0,0,0,0,0,0,0,0.6,0.961236604722876,2.1166486763313515,2.976888760862068,3.76017289949394,4.1604200911461655,4.166133386698063,37.48822758419216,82.5492983769227,116.09866167362065,146.64674308026366,162.25638355470045,162.47920208122446,0.18186631119434363,0.40047069053279877,0.563228423796833,0.711426064429845,0.7871529769860637,0.7882339345585089,4.324165614139373,3.1687535425308972,2.3085134580001805,1.5252293193683086,1.1249821277160832,1.1192688321641855,0.1782603896169623,0.3925304299390824,0.5520611135180582,0.6973203920840872,0.7715458429007364,0.7726053679813192,6.796774065078518,15.66765343214929,20.169539030325424,23.667435712268315,24.63451613141338,23.725637098632912,58.06266587286679,44.02101245004688,33.845801866826015,25.403695400415877,22.888832439752083,24.63927621564587,13.066666666666666,9.2421875,6.975778546712803,9,6,9,3.11,1.984500000000001,0.0,2.3046139570740576,0.1111111111111111,0.0,21.459724533113636,4.749617114228145,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.13299999999999998,0.124,0.553,0.664,7.411999999999999,16.0,17.0,18.0,19.0,14.0,13.0,12.0,11.0,10.0,160.0,2.9444389791664403,3.2386784521643803,3.5765502691400166,3.944006051281197,4.329910633534867,3.796892698174515,3.7741966885207425,3.7509735839097313,3.727198318416073,3.702843994464309,6.055905407226871,2.66015625,0.5,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.5333333333333333,9.0,0.6,1,6.0,12.0,1.0,1.0,0.44444444444444464,0.1875,0.1511111111111111,0.09027777777777776,0.06040816326530612,0.043402777777777776,0.032753842277651796,0.025625000000000002,0.020610141822263034,0.06666666666666667,0.02777777777777779,0.013392857142857142,0.013737373737373737,0.009027777777777777,0.006712018140589569,0.005425347222222222,0.004679120325378828,0.004270833333333334,0.004122028364452607,0.16972441144649517,68.8398042682274,109.6361671059374,137.67960853645482,9.178640569096988,68.8398042682274,0.170231113493932,0.011348740899595467,-2.655897411093733,99.71121163965185,6.647414109310123,6.9034171866047025,0.0,236.83039328560028,4.906890595608519,4.143134726391533,4.859812404361672,5.594711379601839,6.329720905522696,7.075808863978387,7.819636302367592,8.572249397164315,9.321613374385612,10.078826453902199,93.79551380767583,3.4339872044851463,0.0,4.553876891600541,0.0,5.855071922202427,0.0,7.243512974665482,0.0,8.679482094459956,8.957510510291613,204.187800768,5.235584635076923,29.708381851081054,1.9805587900720703,0.0,0.0,0.0,498.0,14.0,6.921000000000002,62.0,1.241571890793872,2.163692826518391,2.9145381153014327,3.6912935550358745,4.871471446319512,5.865667355664301,7.092481168002731,8.194907798712114,9.391698363247434,10.498248107307603,88.80019431660905,94.37050601196204,88.74842895411471,104.93558458496094,130.8655343794027,158.71816850113535,187.28794712752776,216.6490399673628,246.9860455293934,279.21625815066966,314.81098392612734,391.4820452644715,398.6354026593273,493.20126009147805,616.2249980315179,750.3511241821367,890.4363041962526,1031.6488372772465,1177.0238359442521,1325.7310148187817,9.073100287989137,15.517361463189852,20.53347432739573,26.01830398588027,34.206290521241435,41.2267871465128,49.79657241158869,57.55155201523205,65.93812003422657,73.73420494233399,2.317707542391954,3.1266618799020853,3.367957483724764,4.223692023694723,5.3232297476571775,6.47618945199805,7.7167547041260125,8.939724208719088,10.208239067486302,11.475515682614414,175.4165895386408,325.9576913515632,466.7236837136915,589.6424283999404,788.3188197491812,946.0601919759304,1147.948102727462,1325.191667170413,1520.1331660732342,1697.2237394588772,2.749904436442263,4.062045834975545,4.727415141616122,5.882402818127162,7.557515668325163,9.263615189598399,11.261482752848194,13.267291181800394,15.550619253983065,18.05509230691084,0.47799265011001485,0.6549059135130125,0.7137849742470274,0.89684032424674,1.132709143300599,1.3775625600112547,1.642824493705044,1.9030438521609587,2.1734906272459456,2.4424111785752256,454.49748168718276,369.2385529428097,16.206898120793873,85.50888331803469,-69.4683196547117,-5.052825920470978,368.98859836914806,438.7068725975214,21.259724041264853,0.8416520825320115,0.6837670384482268,0.03001242053996398,0.1583479174679886,-0.1286435200704357,-0.009356974746810917,245.43153298992092,199.39116879443318,8.75182814221979,46.175341256227185,-37.513334779761365,-2.7285581583176746,0.07635152537751103,0.08034888079021589,1.8596463949265618,0.7125756330884592,540.0063650052174,0.0,1.0,0.0,1037.29206957558,32.20701894891205,10.122792916927393,1270.842497006511,35.64887792072159,10.83171546324057,1791.7432975084207,42.328988855256405,12.145775874720767,3.3703969837388863,3.3703969837388863,4160.088849622176,4115.467424023719,182.0739335649414,1.0108423712305394,22.848349393947554,22.60327628147733,6.705017683574791,8.108225633110864,15.140712449716741,0.8673274690195985,7.102024577074695,9.460977972516156,5.555382386810609,41.66821477242977,15.550138734521695,4.386281535656225,8.266881907912213,11.728069776513564,26.115767895522268,3.1544649061823913,4.520424037201115,21.680709732197837,6.543627026853261,20.585832738861036,4.603189587360572,3.6042649277388583,9.466293579887452,8.72911574240044,9.098868545928347,4.27158657298194,6.227778533896759,5.993084796801175,4.657998349760142,2.1348877619627444,0.9227993029958252,2.385358582593635,2.1510448965026163,2.0674616659289513,0.28522328854327605,4.577557009571777E-6,0.5961333174551748,9.460579785010239,0.4318826134880876,10.207843749601736,1.0447892981312856,1.1674591446051932,1.0549843155144627,1.6288190622790435,6.851718206419927,0.4737589313544328,1.2965614315950633,2.087518300442973,1.2103247433710183,4.338186546276472,1.2121232509062698,0.4057274238067899,1.4746965300946078,1.2513361106462773,1.7184008474785104,0.4349621942922304,0.5092529632070836,1.2391112204180759,1.1089128351153066,0.05032124576125325,0.070597428821989,0.7097274753735725,0.11558782117816943,0.057133801897302536,0.0020088522326749394,3.224010830366851E-8,1.924124424223372,9.460607217427775,1.4161575544810892,12.494742621988886,2.1091467565239417,1.5759292180287372,2.4662025838814343,2.969987590196613,9.519455543626622,0.8271464912332651,1.7908905059486548,5.268399613625113,1.810772161520351,6.926511453031994,1.6687841605646674,0.9807585653949558,2.5904227971008784,2.272023939098168,2.721308900313681,1.0014126014231897,1.3403513723333587,1.9399482212867596,1.6831825573562427,0.24667969871200052,0.19191555351674797,1.0465567276809296,0.4159187249885747,0.26111697593974664,0.020933778968356437,3.359667857783853E-7,6.703738576032051,9.460934546781196,5.219954379167067,38.27946625637548,13.991215021629051,4.1012951705622225,7.803836039672562,10.854981242626707,24.489110428759595,2.9217933926813937,4.265139223407711,20.191668010954796,6.044419472091334,19.333562447407754,4.312268923118649,3.380908976647132,8.794676628875594,8.09243632929862,8.468883631161336,3.9600546993402395,5.758767067746643,5.606691953678621,4.387599186729971,1.9262078243262744,0.8520077914360311,2.2809370757330383,1.9856996721520195,1.8713848132448996,0.25412881595078335,4.078520883286454E-6,2.8357486867839565,9.46064203695643,2.110104120304571,15.292344681836182,3.402902993582759,1.9301337864774262,3.4530373390469467,4.1045308632227755,11.72621969298217,1.1272797030767232,2.17884674873229,7.69500651856327,2.3679151807367935,8.919522937152426,2.0522007048278597,1.398617233183516,3.5094051528342263,3.1228428994697977,3.5593039189680193,1.4546017321358178,2.0106915655303252,2.5010859321231367,2.121990575318624,0.4495118159352782,0.29082489942659545,1.2793242629060517,0.6562766799058569,0.46241984290458804,0.04547096205491667,7.297647528192511E-7,8.576698368476901,9.46116038715402,6.822040682731308,55.87608747332923,22.083906993280426,5.541298368265252,10.005787875800321,15.250052202250815,32.64645357566268,4.093788223015245,5.531395168470769,27.522735295058876,8.588063292282005,25.514912603147955,5.774943750469469,4.462525371307559,12.160064358686913,11.289574990107571,11.633704122059992,5.5120865532573555,8.099350052069276,7.531995410670867,5.719486110200806,2.9995780328786523,1.206050385601546,2.774074252206117,2.8094965090954966,2.876338850710457,0.4159713563991406,6.675936692452789E-6,4.089296830381578,8.044053513854145,3.1957838393441884,19.821558044593175,6.0445368921074385,2.704200401023469,4.754626415176024,6.092029081237671,14.087261665864887,1.6029668733213729,2.8260891056370556,10.97548833683942,3.362260079275325,11.318014080169881,2.802791765440884,2.1404774393927504,5.282816841536944,4.59703625981516,5.085590670855527,2.2732016402204334,3.324592143316627,3.692456674592795,3.2132420070664143,0.8664108349483363,0.5108765930691697,1.9984854493188438,1.1808692025887035,0.8952536792692319,0.09741561701485582,1.5634260321104488E-6,20.50373726611725,1.0680000936060596,0.7447269928256574,0.9187717616108544,0.047857047457612774,0.5638606029954482,0.37595050811623887,0.3884380276193879,22.316464352548966,37.963048413418896,76.58753947970595,0.8781576424162817,1.3282491387310749,20.42919885831377,0.555189968768921,0.3365924892213498,0.9581734796930604,0.026039606739131194,0.5595999724504195,0.10462648867496913,0.07944549705204969,21.320981316304042,18.405273946217743,43.543916315164765,0.9372602195395906,0.7436719581774384,20.45671266231219,0.744869352984638,0.48796025211752647,0.9431601833776674,0.034342326998007,0.5611657765353556,0.18567493584856737,0.1668094119055095,21.689542267414353,25.583107630443784,54.70798245897063,0.914740275066501,0.9136501242894324,20.501665697044892,1.0537994032441826,0.7334619842296203,0.9198139335869967,0.04727905471843569,0.5637413795267698,0.3662124939134589,0.3767706938594791,22.288927084518697,37.41475728050799,75.5498687448981,0.879720900380495,1.3067245672997079,20.469818782931753,0.8350810186074344,0.5597527342040056,0.9362059950172437,0.03819319869100539,0.5619144444288487,0.23219172924399753,0.2194563439975481,21.86465253574319,29.01943303581418,60.45247480782115,0.9043089925258655,1.0135625176703944,20.510307310964297,1.1130153120527952,0.7804275766013511,0.9154854490081579,0.049679866189177156,0.5642390398143904,0.4076520385104251,0.4265951079805516,22.403750199618443,39.70372336476205,79.92329755713148,0.8732281735122369,1.398486186305367,20.585627791253707,1.0571266231182135,0.734564895669427,0.9199327008761207,0.04724098577097438,0.5683422859684105,0.36810903545716334,0.37763517297664195,22.377319310041347,37.65962283012862,76.02226073308609,0.8798990513141811,1.3140864944022157 +UMLCN0098,L,"1,2,4-trimethylbenzene ",CC1=CC(C)=C(C)C=C1,Aromatics,,C9H12,NREL (2014),IQT,PubChem,,8.9,0,2.7425999999999995,7.521854759999997,43.8018,23.84151599999998,6,6,21,9,12,0,9,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1310.5698569999986,1443.6621449999996,1921.9203479999983,1782.6557379999988,965.5850439999996,360.3309370000005,84.835296,9.144576,0.0,4184.657048915133,5188.4915121901895,7083.005766428104,7478.878020298744,5654.991392085484,2943.1451411580983,1061.4246313942745,279.75369987837234,0.0,148.486212,153.276228,257.7168480000001,281.4173200000002,338.14868800000005,269.22883600000023,123.32735999999997,60.46617599999999,0.0,30.43545485818798,38.462631720000005,54.171480793641024,59.51285358484904,51.45544137303707,30.387092866677975,12.016620718188005,4.001516143641,0.0,3360.161029100989,2978.619777364801,5482.629356991742,5740.292548885451,7657.9058797751395,6644.94346402988,3137.747110568388,1664.258868218241,0.0,44.333333333333336,54.111111111111114,77.44444444444444,90.44444444444446,87.33333333333334,56.0,24.0,9.0,0.0,62.40808842857136,68.7458164285714,53.386676333333284,45.70912148717946,20.116355083333325,9.239254794871808,4.713072,1.016064,0.0,199.269383281673,247.07102439000903,196.75016017855845,191.76610308458316,117.81232066844758,75.46526002969483,58.96803507745969,31.08374443093026,0.0,7.070772,7.298868000000001,7.158801333333336,7.215828717948723,7.044764333333334,6.903303487179493,6.851519999999998,6.718463999999999,0.0,1.4493073741994276,1.8315538914285716,1.5047633553789173,1.525970604739719,1.0719883619382722,0.7791562273507173,0.6675900398993336,0.444612904849,0.0,160.00766805242804,141.83903701737148,152.29525991643726,147.18698843296028,159.53970582864875,170.3831657443559,174.319283920466,184.917652024249,0.0,2.111111111111111,2.5767195767195767,2.1512345679012346,2.3190883190883196,1.8194444444444446,1.435897435897436,1.3333333333333333,1.0,0.0,0.04014676812516281,0.0019373947091031918,0.004999640434504413,-0.029010089406874606,-0.021443503296327805,0.011000399974628886,0.005508477973900266,0.006934295548484248,0.0,622.6251891428572,4.050093593832571E-13,229.7783436122452,-412.6127245510198,-471.9103616122452,54.35616730612209,88.94645559183644,200.1295250816324,0.0,1157.798126258859,-9.947598300641403E-14,427.28264183362666,-767.2709804969425,-877.5374687120718,101.077614197202,165.39973232269426,372.14939772606203,0.0,0.12196799999999984,1.8735013540549517E-15,0.045012000000001204,-0.08082799999999764,-0.09244400000000025,0.010647999999997566,0.017423999999998493,0.03920399999999875,0.0,5.175896322080571,9.936496070395151E-15,1.9101522141011693,-3.430058276934335,-3.923000783799165,0.45186396462606826,0.7394137602972164,1.6636809606687484,0.0,28.11555096916627,4.4853010194856324E-14,10.375977143382814,-18.632130999407746,-21.30980252028077,2.4545322274668364,4.01650728130943,9.037141382946267,0.0,4.285714285714285,-1.1269841269841265,2.4784580498866187,-2.276643990929706,-3.4149659863945594,0.5646258503401332,0.3265306122448972,1.3061224489795915,0.0,0.001911750863102991,9.22568909096758E-5,1.3887890095845592E-4,-7.438484463301181E-4,-4.4673965200682926E-4,2.820615378109971E-4,3.0602655410557033E-4,7.704772831649164E-4,0.0,29.648818530612246,1.9286159970631292E-14,6.3827317670068116,-10.57981345002615,-9.831465866921775,1.393747879644156,4.941469755102024,22.236613897959156,0.0,55.133244107564714,-4.736951571734001E-15,11.868962273156296,-19.673614884536985,-18.282030598168163,2.5917336973641536,9.188874017927459,41.34993308067356,0.0,0.005807999999999992,8.921435019309294E-17,0.0012503333333333667,-0.00207251282051276,-0.001925916666666672,2.7302564102557863E-4,9.679999999999163E-4,0.004355999999999861,0.0,0.24647125343240814,4.731664795426262E-16,0.05305978372503248,-0.08795021222908551,-0.08172918299581594,0.01158625550323252,0.04107854223873424,0.18485344007430538,0.0,1.338835760436489,2.1358576283264915E-15,0.2882215873161893,-0.47774694870276274,-0.44395421917251604,0.06293672378120094,0.22313929340607944,1.004126820327363,0.0,0.20408163265306117,-0.05366591080876793,0.06884605694129496,-0.058375486946915536,-0.07114512471655332,0.014477585906157263,0.018140589569160957,0.14512471655328796,0.0,0.04825780005661003,0.07264487420345114,-0.38909277389982017,-0.2336808946337911,0.14754094963670047,0.16007658739008185,0.40302180479434613,0.0,6.504866273412694E-16,0.21527777777777807,-0.35683760683760635,-0.33159722222222243,0.04700854700854669,0.1666666666666661,0.749999999999999,0.0,-8.591824494296453E-17,0.21527777777777785,-0.3568376068376069,-0.33159722222222227,0.047008547008547015,0.1666666666666668,0.7500000000000004,0.0,1.5360597485036684E-14,0.2152777777777838,-0.3568376068375969,-0.3315972222222236,0.04700854700853633,0.16666666666665247,0.7499999999999771,0.0,1.919763351519558E-15,0.21527777777777846,-0.3568376068376056,-0.33159722222222243,0.04700854700854563,0.16666666666666485,0.749999999999997,0.0,1.5953096648913503E-15,0.2152777777777783,-0.3568376068376057,-0.331597222222222,0.047008547008545856,0.1666666666666651,0.7499999999999971,0.0,-0.26296296296296295,0.3373456790123454,-0.2860398860398862,-0.34861111111111137,0.0709401709401706,0.08888888888888871,0.7111111111111111,0.0,0.999107290238494,0.914416065019527,1.5352103576921368,1.2784021949622892,0.6976698193468108,0.42522978622938434,1.6605656329232256E-8,0.0,1.1111111111111116,0.8101851851851856,1.3960113960113971,1.255787037037038,0.7977207977207982,0.6481481481481481,0.0,0.0,1.1111111111111116,0.8101851851851853,1.3960113960113958,1.2557870370370368,0.7977207977207978,0.6481481481481484,0.0,0.0,1.1111111111111112,0.8101851851851852,1.3960113960113958,1.2557870370370368,0.7977207977207976,0.6481481481481484,0.0,0.0,1.1111111111111114,0.8101851851851853,1.3960113960113965,1.2557870370370374,0.797720797720798,0.6481481481481483,0.0,0.0,1.1111111111111105,0.8101851851851849,1.3960113960113956,1.2557870370370365,0.7977207977207975,0.6481481481481478,0.0,0.0,1.4197530864197532,0.5473251028806587,1.3627730294396965,1.328703703703704,0.7578347578347581,0.7777777777777779,0.0,0.0,29.71128710220714,14.855643551103565,20.71526779736375,29.71128710220714,3.3012541224674603,14.855645077334435,-1.0658141036401503E-14,0.002104183065755827,2.337981184173141E-4,-5.547445181507347,43.247011423167635,4.805223491463071,3.3902353178532034,29.71128710220714,14.855643551103565,20.71526779736375,29.71128710220714,3.3012541224674603,14.855645077334435,-1.0658141036401503E-14,0.002104183065755827,2.337981184173141E-4,-5.547445181507347,43.247011423167635,4.805223491463071,3.3902353178532034,29.71128710220714,14.855643551103565,20.71526779736375,29.71128710220714,3.3012541224674603,14.855645077334435,-1.0658141036401503E-14,0.002104183065755827,2.337981184173141E-4,-5.547445181507347,43.247011423167635,4.805223491463071,3.3902353178532034,29.71128710220714,14.855643551103565,20.71526779736375,29.71128710220714,3.3012541224674603,14.855645077334435,-1.0658141036401503E-14,0.002104183065755827,2.337981184173141E-4,-5.547445181507347,43.247011423167635,4.805223491463071,3.3902353178532034,29.71128710220714,14.855643551103565,20.71526779736375,29.71128710220714,3.3012541224674603,14.855645077334435,-1.0658141036401503E-14,0.002104183065755827,2.337981184173141E-4,-5.547445181507347,43.247011423167635,4.805223491463071,3.3902353178532034,29.71128710220714,14.855643551103565,20.71526779736375,29.71128710220714,3.3012541224674603,14.855645077334435,-1.0658141036401503E-14,0.002104183065755827,2.337981184173141E-4,-5.547445181507347,43.247011423167635,4.805223491463071,3.3902353178532034,32.38658668057583,16.159960006954588,22.530986712270938,32.3356968900202,3.592855210002244,16.159960406731592,-0.06666666666665222,0.027970247253915392,0.0031078052504350437,-3.218952538655071,47.31018529580982,5.256687255089981,3.471053045639695,0,11.849999999999998,12.150097156670702,-0.2084567400711147,0.09165020687968038,6.003955088434532,8.44401381723242,9.0,21.0,18.0,15.0,3.0,3.0,0.0,0.0,0.0,6.0,13.118483999999997,3.8335893184569056,3.0561990735056903,2.831353951280292,2.4175319525470655,2.136657421399379,1.730798784752915,0.7615228404060546,0.330767392836947,2.008386926907399,1.532771073707946,1.4139335395403863,1.195172722324204,0.8974488040955533,0.5269782761506884,0.02019096934690886,0.08392307051869093,3.84357997100729,3.083097614186922,2.864489229938991,2.476130793315218,2.198065434081961,1.792413518965735,0.8732682484396155,0.45652951078040793,1.978376491214107,1.4559373289099693,1.3227131945650252,1.0942633211978041,0.8017683942530552,0.4178589687794359,0.1088267895608743,0.27091390189293685,3.8899989977059226,3.2124298701262326,3.0247752276772766,2.724355125772849,2.4488626711225754,2.044692628846873,1.326296579471795,0.9568677698744734,1.899825159971149,1.2401918475841993,1.0592045141567576,0.7717730682622197,0.4951337784247756,0.09178563385544236,0.5931456924722763,0.9439184268026212,3.8510625468871797,3.1035360815949646,2.8897337468640747,2.5188591213195948,2.242317084829006,1.8367904697502258,0.9541472388172028,0.5474449143387732,1.9602075343558427,1.4076584252725,1.264613753122608,1.0277565485290854,0.7390355047819636,0.34843950463661183,0.1994835393514854,0.3992772455089814,3.91434352618112,3.2811181715036173,3.109835287443424,2.838709741737267,2.559713212916923,2.1581401048858,1.5166341729455746,1.2076448229620886,1.877814409039265,1.178060209698344,0.9821113733407334,0.6631018330987619,0.3883605272922393,0.01648610123217027,0.7809897778856317,1.1593471935103434,3.838427225651983,3.113849710100628,2.9392696721310307,2.601631839319578,2.318332938579379,1.8690867546431849,1.026739526787707,0.6136057143142821,1.9642674890195626,1.3657534170279795,1.1903951896595961,0.9331652981792761,0.6583004656964576,0.30120751262125817,0.2686165789116578,0.529411764705882,0,0,0,3,3,3,0,0,0,0.0,0.0,0.0,0.06804138174397717,0.2041241452319315,0.0,0.0,0.0,0.024056261216234408,0.07216878364870322,0.7600796553858447,0.0,0.16666666666666666,0.0,0.4553418012614796,0.0,0.08333333333333333,0.0,1.4782780961775843,1.5580286054249617,2.0759330939284544,0.7904022964417872,0.7117876570272818,0.8385148188742556,6.8533711511285205,4.198377302757663,3.8727920134931053,2.860366219491575,1.816762979226178,1.3316001604737504,0.5044733353288007,0.06804138174397717,0.7614856834587245,0.46648636697307366,0.3227326677910921,0.22002817073012115,0.1397509984020137,0.09511429717669646,0.07206761933268581,0.06804138174397717,6.2320508075688785,3.238033871712585,2.587713240271471,1.6624107643699333,0.8913460352255527,0.5627313958110473,0.18600423396407315,0.024056261216234408,0.6924500897298754,0.35978154130139833,0.21564277002262258,0.1278777511053795,0.06856507963273482,0.04019509970078909,0.026572033423439022,0.024056261216234408,12.250966822715249,20.32702112163146,19.352941176470594,19.560000000000002,13.79132694610778,158.3976143712575,0.58337937251025,0.9679533867443553,0.9215686274509807,0.9314285714285715,0.656729854576561,7.542743541488453,1.77066,37.362,36.246707129964776,48.23696275628754,72.49341425992954,8.054823806658838,36.246707129964776,0.034470015398091775,0.003830001710899086,-3.030898906569167,80.3727783664441,8.930308707382677,3.9480079871905356,67,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.607592592592594,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.166388888888889,0.0,0.0,0.0,0.0,1.166388888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.392407407407408,0.0,0.0,0.0,0.0,6.502314814814815,0.0,0.0,0.0,0.0,4.105277777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.345462962962963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3788194444444445,0.0,0.0,0.0,0.0,0.3788194444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1175,0.0,0.0,0.0,0.0,2.1412037037037037,0.0,0.0,0.0,0.0,1.345462962962963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2037037037037037,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.39659722222222227,0.0,0.0,0.0,0.0,0.39659722222222227,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1412037037037037,0.0,0.0,0.0,0.0,2.2037037037037037,0.0,0.0,0.0,0.0,1.3842592592592595,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.0,1.8888888888888888,0.39659722222222227,2.2037037037037037,0.1440972222222222,1.345462962962963,5.5267676851851855,0.32120370370370366,0.20370370370370366,1.7894444444444442,0.32120370370370366,0.20370370370370366,1.7894444444444442,4.5,0.5,0.0,0.0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,-0.0,0.0,0.71429,0.0,0.0,0.33333,0.33333,0.0,10.5,1.16667,4.5,0.5,6.0,0.66667,1.5,0.16667,0.0,0.0,5.74382,0.6382,10.41343,4.66961,0.51885,2.06066,0.22896,4.19836,2.1377,0.23752,0.21564,0.02396,0.30164,0.03352,0.2857142857142857,9.0,0,0,0,0,0,0,0.3333333333333333,0.9852281360342516,2.128085278891394,2.390455517192677,2.8433019459701505,3.2368573034220747,3.52257158913636,20.689790856719284,44.68979085671927,50.19956586104622,59.709340865373164,67.97400337186357,73.97400337186356,0.22430713475415348,0.4845017046935282,0.54423560209826,0.6473352611595545,0.7369361072666524,0.8019847497514959,3.407089286744509,2.2642321438873667,2.001861905586084,1.5490154768086102,1.155460119356686,0.8697458336424009,0.2148824850539754,0.46414453303743985,0.5213686081002163,0.6201363578269037,0.7059724704210684,0.7682879824169344,6.751545309820625,15.369996114525955,18.51843897414135,22.510586336569254,21.860347470810815,22.148297479953673,33.825801216467084,27.574832276195366,23.400771027838424,18.231824911692584,18.957556320841512,18.265537816220707,7.111111111111111,2.7222222222222223,1.7041420118343196,0,6,0,2.45,1.1391000000000002,0.7663094323935531,3.479380736486302,4.441492163365841,0.0,1.6509636244473134,5.853800636117529,0.0,1.6509636244473134,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.125,0.1,0.5050000000000001,0.68,4.372,12.0,13.0,13.0,14.0,7.0,1.0,0.0,0.0,0.0,78.0,2.5649493574615367,3.1570004211501135,3.590439381300684,3.9866665484239117,4.4270896234513915,3.944006051281197,2.1510351948668447,0.0,0.0,0.0,5.611415874932711,3.4939903846153846,0.4,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.3333333333333333,0,3.0,5.0,0.6666666666666666,2.5,1.333333333333334,0.5625,0.41333333333333344,0.0,0.0,0.0,0.0,0.0,0.0,0.2777777777777778,0.11111111111111116,0.05625,0.10333333333333336,0.0,0.0,0.0,0.0,0.0,0.0,0.5484722222222224,19.165947610571223,27.343729945223906,38.331895221142446,4.259099469015826,19.16594763022394,0.023258624935954653,0.002584291659550517,-3.3849713256767764,39.754396925695985,4.417155213966221,3.314448404519335,0.0,133.0544855304002,4.169925001442312,3.7612001156935624,4.532599493153256,5.351858133476067,6.1463292576688975,6.963189985870238,7.764296006450518,8.579416534596369,9.382695764458287,10.196940441748334,80.67852573311553,2.9444389791664403,0.0,4.204692619390966,0.0,5.666426688112432,0.0,7.217443431696533,0.0,8.806723554725636,9.038602608721874,120.093900384,5.7187571611428565,17.382017193345234,1.931335243705026,0.0,0.0,0.0,84.0,10.0,3.258,42.0,1.233300178141001,2.143608143238272,3.065976101653595,3.792069947594961,4.63160410166074,5.883400279486226,6.55256675069579,0.0,0.0,0.0,94.09564805436919,126.6072840096928,148.79915158389207,84.81547788393799,48.19408983734912,28.60812362196818,6.657827182978966,0.0,0.0,0.0,326.4685465043273,454.7269372332727,609.1090585872187,476.9160855320386,371.81269716070176,353.5640869984678,203.67831024523903,0.0,0.0,0.0,9.03149044607507,15.413216146855486,22.15714050471345,26.80595817108055,32.05154207915844,40.34187849477243,44.023183822146635,0.0,0.0,0.0,2.3768966863031515,3.4214409387058784,4.796870299008375,4.2668043849272115,3.76567456862657,3.980728576798095,2.9133557372438275,0.0,0.0,0.0,173.07509778245284,321.7093214366156,449.0686760308354,598.0455883146947,783.1178895080668,1023.0695852696992,1211.685258270828,0.0,0.0,0.0,3.2723161895109008,4.830695192192427,7.247086387133831,7.148033428636743,6.870405352490319,7.923808126443575,6.55256675069579,0.0,0.0,0.0,0.4891742073471703,0.7095530497413672,1.001461069847805,0.911091453729651,0.8220649246898838,0.883220308360721,0.6709828352712489,0.0,0.0,0.0,286.7017455666044,125.05499175531816,10.16448181881902,105.41587969181766,-45.98082212470291,-5.029564369468925,181.28586587478674,171.03581388002107,15.194046188287945,0.7311626081017293,0.3189221389191614,0.025922022281248378,0.26883739189827066,-0.11726282921967511,-0.01282667252244586,112.42080762902127,49.03626639380691,3.985672472777721,41.33542440928307,-18.02989077896842,-1.972180836640528,0.14280710317453008,0.1342845608446422,2.742173126481545,1.4611816492308207,392.1176252584221,0.0,1.0,0.0,669.1530565126449,25.867992896872476,8.746651481774649,786.0344263749132,28.036305505093093,9.228841539673095,1145.152770223213,33.84010594284854,10.462154824861315,1.5051133811398993,1.5051133811398993,524.375749534439,373.176938698411,161.31266449179475,1.4051665447586026,3.2506793634985285,2.313376571356509,4.0665901122009895,4.288153177805148,6.664765497223214,0.5542274776281461,3.591901277783653,3.8711626572504594,5.313765475669073,9.312772646928197,0.35318073259723026,5.570287741385978,6.982724886544771,7.502513732036944,2.0306684798714656,4.982156199945035,2.2155019649220264,2.185137681395036,2.7339382988308223E-5,7.605898678379592E-31,4.935151270411348E-78,6.44181609039601E-147,1.6652297936767896E-237,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.30155299230410904,3.870979963202792,0.2849107745631334,5.681267170461675,0.07307489435277675,0.3644565788955711,0.6647971876391482,0.501953850643021,0.9993139707864407,0.1542132649281514,0.12731114486751244,0.015390727286156982,1.9255350979910249E-7,5.3568966290302234E-33,3.475867392155833E-80,4.537023744158903E-149,1.1728349594854662E-239,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9731832251067337,3.870992571530763,1.0251972168707157,6.26772701526201,0.12763028559448597,0.9808628619572756,1.9533041684774195,1.703826651456582,1.1594029488396589,0.6024540067335502,0.44955285887320434,0.16037834581822016,2.0065560316430516E-6,5.582299306350545E-32,3.6221218134109553E-79,4.727928547782941E-148,1.2221844538345391E-238,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.390468513483531,3.8711427406747125,4.904650972500061,9.03568859682626,0.33510592030116104,5.093734458207677,6.595550808740909,6.993607299107928,1.949688360373321,4.496533388635043,2.050871761858415,1.946918763515146,2.435889803684008E-5,6.776718789316391E-31,4.397130931731052E-78,5.739542161033322E-147,1.4836897661307186E-237,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.434236324462285,3.8710085557716116,1.618362329361279,6.716278966752328,0.1658588376531416,1.536496874332184,2.8381554043639334,2.5963025856734037,1.2842734563297573,1.069676486128587,0.7016422036126059,0.3483616625923039,4.358507830044481E-6,1.2125500037224427E-31,7.867732590651591E-79,1.0269692582932332E-147,2.6547479501155954E-238,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.337716138123884,3.8712463140971836,6.943495948986043,10.400872719325346,0.42115609044874025,7.51398371662415,8.41670480147045,9.477982018817688,2.3507589093633454,6.995997296092782,2.866828805296594,3.186815910559409,3.987192069023308E-5,1.1092488408095773E-30,7.19745431461622E-78,9.394783355834283E-147,2.4285811531624026E-237,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.013498659103034,3.6181900404597394,2.147023200650048,7.480305616507379,0.21001494626508782,2.2569410757663513,3.8586676270873657,3.6520831082790073,1.5592203697222582,1.7121774524783349,1.0281128816188048,0.6124457078099352,7.662595232017184E-6,2.1317570690268066E-31,1.383208487554738E-78,1.8054917069968055E-147,4.6672530549418676E-238,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.7722639009450445,2.1626419991322443,0.23891603694897268,0.6652331132327037,0.30146301624385125,0.5767161349066908,0.5098507755262548,0.2857264646026205,7.173821937026261,11.977558577386947,21.617160861098803,0.49784966984905554,1.3722933750355661,3.0737187424145014,1.3083437557426123,0.04208035218441708,0.6947602838315268,0.2957281896179307,0.24028368982078827,0.18800805257847178,0.008863758291441193,4.42414285034153,4.205879456763625,8.799247632254858,0.54214042574729,0.43715550069070125,3.6678849327375356,1.6074037964858456,0.11095211278214157,0.6809730645783431,0.2984277613340703,0.34147676183862224,0.28288199232774525,0.06162127280670083,5.386240842005522,6.481076595998698,12.521465816299132,0.5214595968675145,0.6859800269730684,4.72105735905312,2.1369096507530534,0.23298370407749047,0.6657862322762401,0.3013572843721943,0.5644531318836032,0.497873026675648,0.27171332856894004,7.090950713883664,11.68626758870521,21.127668118144506,0.49867934841436024,1.3340394871281913,3.963911904101375,1.7562982929943043,0.14525755518558792,0.6758049096015716,0.29943021889622085,0.3985170074663729,0.33726673928975187,0.10561779400282098,5.865467752281267,7.792715459130836,14.669438960178486,0.5137073644023573,0.8414015407589458,4.936321293347489,2.2450780833436124,0.2579217872234971,0.66354458754809,0.301785342220962,0.6168926163507108,0.5491771188085397,0.3329936539160881,7.439321163914599,12.934666110038718,23.23238658758047,0.4953168813221349,1.4990633890753386,4.722938311225581,2.1383935954719044,0.23268358096140185,0.6657637440236558,0.30143627388352384,0.5649206852851384,0.49859592008344794,0.2710137501916633,7.094015487658888,11.69602031474877,21.140023869511705,0.49864561603548363,1.3345303555602497 +UMLCN0099,L,2-phenyltetradecane,CCCCCCCCCCCCC(C)C1=CC=CC=C1,Aromatics,,C20H34,NREL (2014),Unknown,PubChem,,49,0,-1.2318999999999987,1.5175776099999967,77.7375,57.870961999999956,6,6,54,20,34,0,20,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2919.828595999997,3296.923412000002,3953.830294000004,3908.7120450000016,3501.1499220000023,3156.150496000002,2779.8244460000005,2532.6072369999997,2332.802315999999,9527.185345638247,12371.382991584233,17074.202325153736,18405.550793632305,17395.557065556328,16099.175157928858,14355.733806543773,12827.821507244706,11727.771928996779,379.2380959999998,392.8098080000003,728.5160560000011,1011.8653320000022,1010.1975120000022,986.4021760000027,901.3423280000029,796.5499720000021,713.5096800000014,70.89483876486594,93.63850653999995,139.06751091243308,158.7416228466954,153.04662437154434,143.67955444094002,128.9731055563926,114.60817364729863,104.2528060733557,8823.087290624468,7742.053744038605,15579.796424304925,23245.485583700814,23356.26526288086,23076.734420233362,21196.53491799034,18735.254268051674,16701.546156940356,91.30555555555556,111.38888888888889,178.74999999999997,223.6666666666666,220.74999999999997,210.83333333333331,189.75,167.5,152.25,54.07089992592587,61.05413725925929,38.76304209803926,27.143833645833343,24.313541125000015,22.384046070922,21.5490267131783,22.21585295614035,22.87061094117646,176.42935825256012,229.09968502933765,167.3941404426837,127.81632495577989,120.80247962191895,114.1785472193536,111.2847581902618,112.52475006355004,114.97815616663509,7.0229277037037,7.27425570370371,7.142314274509815,7.026842583333349,7.015260500000015,6.995760113475196,6.987149829457387,6.987280456140369,6.995192941176484,1.3128673845345544,1.7340464174074066,1.363406969729736,1.1023723808798291,1.0628237803579468,1.0190039322052484,0.9997915159410279,1.0053348565552511,1.0220863340525068,163.3905053819346,143.37136563034454,152.7431021990679,161.42698322014454,162.19628654778376,163.66478312222242,164.31422417046775,164.3443356846638,163.74064859745448,1.6908436213991769,2.0627572016460904,1.7524509803921566,1.5532407407407403,1.532986111111111,1.495271867612293,1.4709302325581395,1.469298245614035,1.4926470588235294,0.09787262536199114,-0.004369214521717705,-0.03646212320548273,-0.005959580995858782,-0.011812052173130964,0.0022456485514353265,1.3172452287661023E-4,0.0044708578131135365,3.0903773139191217E-6,1524.5349281481458,1.5916157281026244E-12,-440.42120146501924,1.4946420864196632,-182.34633454320985,-70.74639209053527,-18.932133094650712,59.28746942798297,7.971424460904917,2834.937798864282,-6.934897101018578E-12,-818.9820307830206,2.779350783200634,-339.08079555043435,-131.5559370714792,-35.205109920535676,110.24758106694618,14.823204177069492,0.29864592592592565,-5.771425004574837E-15,-0.08627548971193932,2.927901234564198E-4,-0.035720395061728055,-0.013858732510286707,-0.003708674897117629,0.011614008230454227,0.0015615473251039576,12.673490994394806,2.731148640577885E-14,-3.661230731714047,0.012424991170961797,-1.5158489228589982,-0.588116248759514,-0.15738322149903847,0.4928579831153418,0.06626661957852717,68.84260422491327,-1.0902390101819037E-12,-19.887863442753748,0.06749274923997728,-8.234115407293551,-3.1946567973650497,-0.8549081570411357,2.6772123865246362,0.35996132928073266,6.930555555555555,0.3472222222222221,0.20833333333333326,1.375,-0.708333333333333,-0.520833333333333,-0.5625,0.0,-0.25,0.001812456025222058,-8.091138003180935E-5,-3.574717961321836E-4,-4.138597913790821E-5,-8.202814009118725E-5,1.592658547117253E-5,1.0211203323768235E-6,3.9218050992224E-5,3.029781680312864E-8,28.232128299039736,2.9474365335233784E-14,-4.317854916323718,0.010379458933469884,-1.2662939898834018,-0.501747461635002,-0.146760721663959,0.5200655212980962,0.07815122020495016,52.49884812711633,-1.284240203892329E-13,-8.029235595911967,0.01930104710555996,-2.3547277468780163,-0.9330208302941788,-0.27290782884136183,0.9670840444468963,0.1453255311477401,0.005530480109739364,-1.0687824082545995E-16,-8.458381344307777E-4,2.0332647462251374E-6,-2.480582990397782E-4,-9.828888305167878E-5,-2.8749417807113402E-5,1.0187726517942304E-4,1.5309287501019192E-5,0.23469427767397788,5.057682667736824E-16,-0.03589441893837301,8.628466090945693E-5,-0.010526728630965265,-0.00417103722524478,-0.0012200249728607634,0.004323315641362647,6.496727409659527E-4,1.2748630412020976,-2.0189611299664883E-14,-0.19497905336033086,4.686996474998422E-4,-0.05718135699509411,-0.022657140406844325,-0.006627195015822757,0.02348431918004067,0.0035290326400071828,0.12834362139917696,0.006430041152263372,0.002042483660130718,0.009548611111111112,-0.004918981481481479,-0.003693853427895979,-0.00436046511627907,0.0,-0.0024509803921568627,-0.04464184449490093,-0.19723060375403423,-0.022834197664375163,-0.04525800292513985,0.008787294836144363,5.633904040522683E-4,0.021638070356724434,1.6716442430329654E-5,1.044000828525432E-15,-0.152941176470588,3.676470588235079E-4,-0.04485294117647065,-0.01777221526908646,-0.005198358413132842,0.0184210526315788,0.0027681660899652517,-2.44622548819124E-15,-0.15294117647058933,3.6764705882357673E-4,-0.04485294117647067,-0.017772215269086285,-0.005198358413132524,0.01842105263157926,0.00276816608996565,-1.932530968464089E-14,-0.15294117647059755,3.676470588230647E-4,-0.04485294117647021,-0.01777221526908463,-0.005198358413130298,0.018421052631581426,0.0027681660899673095,2.1550089409349083E-15,-0.1529411764705879,3.676470588231299E-4,-0.044852941176470935,-0.017772215269086854,-0.00519835841313329,0.01842105263157851,0.002768166089965074,-1.583669041078141E-14,-0.15294117647059613,3.676470588228007E-4,-0.04485294117647061,-0.01777221526908521,-0.005198358413131047,0.018421052631580538,0.0027681660899664773,0.050100200400801584,0.015914181303784032,0.07439879759519039,-0.0383266533066132,-0.02878096618769452,-0.03397492659738081,0.0,-0.019097017564540845,1.3174760045183378,1.2397071855305768,0.9484926248989591,0.9761584633314234,0.9211901954127079,0.9163277600253072,0.8877910834739356,0.9139010425958641,1.325000000000003,1.2997837370242245,0.9937500000000021,1.0229779411764728,0.9701188986232814,0.9461696306429571,0.9229876160990733,0.9490484429065765,1.3250000000000008,1.2997837370242222,0.9937500000000006,1.0229779411764712,0.9701188986232797,0.9461696306429553,0.9229876160990718,0.9490484429065751,1.324999999999999,1.2997837370242225,0.9937500000000009,1.0229779411764717,0.9701188986232799,0.9461696306429553,0.9229876160990712,0.9490484429065741,1.3250000000000008,1.2997837370242205,0.9937499999999995,1.0229779411764703,0.9701188986232784,0.9461696306429542,0.9229876160990709,0.9490484429065742,1.3249999999999993,1.29978373702422,0.9937499999999989,1.0229779411764695,0.970118898623278,0.9461696306429539,0.9229876160990704,0.9490484429065735,1.2509463371186818,0.9621596133443356,0.8061818080605653,0.9566494099309729,0.9159880043775493,0.8867502446753972,0.8357240797384242,0.8965578215254038,231.20437682827725,115.60218841413851,186.1566979818274,231.20437682827713,11.560218841413855,115.60218841413851,-2.1316282072803006E-13,0.2949317138466493,0.014746585692332465,-2.442022855847063,158.47782740169848,7.923891370084924,10.131229386643366,231.20437682827725,115.60218841413851,186.1566979818274,231.20437682827713,11.560218841413855,115.60218841413851,-2.1316282072803006E-13,0.2949317138466493,0.014746585692332465,-2.442022855847063,158.47782740169848,7.923891370084924,10.131229386643366,231.20437682827725,115.60218841413851,186.1566979818274,231.20437682827713,11.560218841413855,115.60218841413851,-2.1316282072803006E-13,0.2949317138466493,0.014746585692332465,-2.442022855847063,158.47782740169848,7.923891370084924,10.131229386643366,231.20437682827725,115.60218841413851,186.1566979818274,231.20437682827713,11.560218841413855,115.60218841413851,-2.1316282072803006E-13,0.2949317138466493,0.014746585692332465,-2.442022855847063,158.47782740169848,7.923891370084924,10.131229386643366,231.20437682827725,115.60218841413851,186.1566979818274,231.20437682827713,11.560218841413855,115.60218841413851,-2.1316282072803006E-13,0.2949317138466493,0.014746585692332465,-2.442022855847063,158.47782740169848,7.923891370084924,10.131229386643366,231.20437682827725,115.60218841413851,186.1566979818274,231.20437682827713,11.560218841413855,115.60218841413851,-2.1316282072803006E-13,0.2949317138466493,0.014746585692332465,-2.442022855847063,158.47782740169848,7.923891370084924,10.131229386643366,280.45012474798637,139.60818976461192,227.83347435840025,280.1651664146531,14.008258320732654,139.60818976461192,-0.40708333333341784,0.3324154408468573,0.016620772042342864,-2.202739528943718,159.56093315424812,7.978046657712406,10.144851750633944,0,11.849999999999998,12.150270128051396,-0.2099125545750525,0.09039158870320893,5.127455342452,9.5400893027221,20.0,54.0,51.0,48.0,14.0,3.0,0.0,0.0,0.0,6.0,37.16903799999999,3.8035497473363327,3.532163493395101,3.4234457777859832,3.271957454374495,3.0796539012675983,2.83699375663597,2.619181913839715,2.55883529561254,2.01074617424638,1.9349785891212883,1.8459233215471653,1.7281552290925142,1.5995838972494978,1.4506366225532585,1.2772143858387415,1.1036630563052752,3.815620624867168,3.5599420962970454,3.4521872262733337,3.3025641484064474,3.114541628471532,2.878319978448855,2.6458150318986946,2.6061866226059465,1.9751312209741083,1.8775594072114477,1.7851280694197875,1.6619820962121388,1.524467126055552,1.3632626931019054,1.1776566105232222,1.007167592188802,3.8710738067353248,3.6811517158420557,3.578495711878626,3.438061825945716,3.269263979829543,3.0622933868801137,2.8245454561668693,2.771820215479788,1.8827013653757998,1.7051562011509003,1.6036456747417416,1.465198937606017,1.300256563125057,1.0991134582483382,0.8684691948886274,0.7986202314843516,3.8246270744131174,3.5803575852191574,3.4733657944928855,3.3251763309451325,3.1403397459206825,2.908947089343492,2.665925019264033,2.6419514629017145,1.9537385246150651,1.8406208975855827,1.7461307568926172,1.619589231051893,1.4762678798616575,1.3068841232944688,1.1126941769046899,0.9602789912487919,3.8998296500166374,3.7395912098669264,3.6397826832835722,3.5042615280599025,3.344848440963619,3.1519932045073396,2.931284016726649,2.8380785876458874,1.856607965303768,1.6505896085974856,1.5465313058899992,1.4036383174046243,1.2299415336402226,1.0155254606703938,0.7686437139204145,0.7385642758080595,3.9512760158319864,3.539406794665301,3.457490118584931,3.334147311628726,3.1637441710414853,2.939981078710236,2.860559671113132,2.680957711642922,1.9032346382503598,1.8388282031853622,1.7229239151641293,1.5763537935122693,1.4185299480110398,1.2378367554443948,1.032439684404071,0.8261135014472158,0,0,0,5,1,2,11,1,0,0.0,0.0,0.0,0.10206207261596577,0.05892556509887897,0.0,0.0,0.0,0.032075014954979206,0.018518518518518517,0.4023689270621825,0.0,0.11785113019775793,0.0,0.30034919009686917,0.0,0.06804138174397717,0.0,1.0202200572599405,1.3249579113843053,1.5303300858899103,0.6554173654129483,0.7388276013109432,0.7646535929817727,14.468409037364017,9.842535255101097,7.346029630482282,5.46758710547211,3.8926543561071045,2.7712510313013197,1.5560204772605961,1.0377726311360957,0.7234204518682008,0.49212676275505485,0.33391043774919466,0.22781612939467125,0.15570617424428418,0.10658657812697384,0.07409621320288554,0.05188863155680479,13.742276208189782,8.89206407795781,6.282386822747845,4.359298322858122,2.8861990909051047,1.9056999448041911,1.1456818895567569,0.7392955490625858,0.6871138104094892,0.44460320389789054,0.2855630373976293,0.18163743011908842,0.11544796363620419,0.07329615172323813,0.054556280455083664,0.03696477745312929,29.21107266435981,52.09322651128922,49.33333333333328,49.92000000000004,33.57542634730544,411.7084203592815,0.5409457900807373,0.9646893798386892,0.9135802469135792,0.9244444444444452,0.6217671545797303,7.624230006653361,7.101100000000008,91.31800000000008,143.21394192120098,219.40953686307412,286.427883842402,14.321394192120103,143.21394192120098,0.07735512786425902,0.003867756393212951,-5.118696819716882,175.85368494237136,8.792684247118569,10.33930462746481,496,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,14.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,11.0,0.0,0.0,5.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.454974341926619,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.873918795179541,0.0,3.347857942348372,0.0,0.0,1.873918795179541,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.652284375453915,0.0,15.665663643679977,0.0,0.0,10.951803833612468,0.7270776389394922,0.0,0.0,0.0,1.5031705083141496,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5031705083141496,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.35176492913875324,0.0,0.20631590932941804,0.0,0.0,0.35176492913875324,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2881337726581026,0.0,1.3477314814814814,0.0,0.0,2.107867711166938,0.7270776389394922,0.0,0.0,0.0,1.5031705083141496,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2648497713521234,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4020066480689724,0.0,0.35930555555555554,0.0,0.0,0.4020066480689724,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.364150602795812,0.0,1.4587481400707412,0.0,0.0,2.2648497713521234,0.7270776389394922,0.0,0.0,0.0,1.5031705083141496,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,33.5,1.675,0.4020066480689724,2.364150602795812,0.07822326247208655,0.7270776389394922,13.44486817091208,0.6062556943938411,0.36415060279581174,3.208176418132764,0.6062556943938411,0.36415060279581174,3.208176418132764,10.0,0.5,0.0,0.0,0.44815,0.7,0.43333,0.43333,0.7,0.01481,0.01481,-0.0,0.0,0.71429,0.0,0.0,0.1,0.1,0.0,16.0,0.8,10.0,0.5,6.0,0.3,-4.0,-0.2,0.0,0.0,22.58434,1.12922,28.59048,6.00614,0.30031,7.88621,0.39431,9.84252,1.95631,0.09782,0.07148,0.00357,0.15748,0.00787,0.1111111111111111,20.0,0,0,0,0,0,0,0.7,0.9509560484549726,1.974249027856367,2.7824592872759024,3.5516505209254094,3.9394796343485243,4.102382069202783,51.351626616568524,106.60944750424382,150.25280151289874,191.7891281299721,212.73190025482032,221.52863173695027,0.16524320381544802,0.3430560592390687,0.4834949920793197,0.6171537705281321,0.6845450293976263,0.712851826844669,4.803931453708497,3.780638474307102,2.9724282148875667,2.2032369812380597,1.8154078678149448,1.6525054329606865,0.1630334270225645,0.33846841326718813,0.4770292737423311,0.6089006499866256,0.6753906939410462,0.703318948109848,6.792227134713073,14.902319876552047,19.05097970031504,22.194133994775097,23.25408678557334,24.15303800509291,77.97491639774505,59.34709611497023,48.80477399853392,38.78708271430593,34.23623161696104,31.431304590448548,18.05,12.71900826446281,9.5625,14,6,14,3.66,2.6890000000000036,0.07692307692307693,5.300224144143131,0.9517466192825045,0.0,25.83880972654972,7.8556131813164765,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.15099999999999997,0.14400000000000002,0.514,0.649,9.679000000000002,22.0,24.0,25.0,26.0,21.0,20.0,17.0,16.0,15.0,226.0,3.1780538303479458,3.449987545831587,3.7784916128036232,4.112920947795036,4.473779357862679,4.089122618240949,4.154969184038536,3.8620446356219045,3.840795496139778,3.819085009768877,6.258026718789713,2.3061393805309733,0.5,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,0.6,14.0,0.7,2,8.0,16.0,1.0,1.5,1.1111111111111116,0.5625,0.2711111111111112,0.20833333333333334,0.10122448979591836,0.07465277777777779,0.05744520030234315,0.04562500000000001,0.037139067442097745,0.075,0.050505050505050525,0.026785714285714284,0.015061728395061733,0.013020833333333334,0.0072303206997084545,0.005742521367521369,0.004787100025195262,0.004147727272727274,0.0037139067442097744,0.22391327667419283,120.98739227094369,192.39322742364413,241.9747845418875,12.09873922709437,120.98739227094369,0.21750802689954785,0.010875401344977392,-3.0510390476982083,158.85496836420103,7.942748418210051,10.135983274613357,0.0,323.31031641493496,5.321928094887363,4.442651256490317,5.176149732573829,5.926926025970411,6.680854678790215,7.443663683115591,8.208764045819667,8.97979449089521,9.75272280064639,10.530040767646089,107.14156748194772,3.713572066704308,0.0,4.859812404361672,0.0,6.184148890937483,0.0,7.597396320212795,0.0,9.0642735958414,9.33300038471207,274.2660510880005,5.079000946074083,39.525869033778434,1.9762934516889217,0.0,0.0,0.0,1166.0,21.0,9.700999999999999,84.0,1.2438204396474257,2.1625809712391924,2.9105036577202856,3.6618689531473887,4.758929985740318,5.814649966128811,7.039892471689374,8.193201874110335,9.405989852868624,10.564064823340784,86.97279165190282,92.42289681705785,91.01799348729283,109.38349759904654,126.14001782460397,147.65384903635385,179.2778920193356,211.9051464559045,240.13994041813123,268.79130061517526,310.7357059285924,385.36665987171864,403.6664042924032,504.58866323621777,602.0816771254567,715.9105506024881,861.3659509603426,1017.3098731747579,1157.284487950812,1297.6807781389707,9.083170087621788,15.494007566748477,20.51266223757538,25.846532371496956,33.43624044291241,40.80391563143616,49.36208342546088,57.504722810637084,65.98601945940561,74.10765902713501,2.2967002930293736,3.0874650936348917,3.393560172995406,4.28420928054233,5.2159143888225445,6.2487099333103355,7.511569428217903,8.849513021430932,10.089610951714802,11.320694132265267,176.13036980883183,326.92534712953005,465.6045820620772,582.3665287357794,768.3605929405554,942.4706631939556,1144.340991082197,1327.4637211553868,1526.2711790130015,1714.3449443722482,2.636981907800893,3.8879029935883973,4.643513961327068,5.879506803720712,7.357663597427898,8.836640482077899,10.635029506700285,12.554643032007988,14.480114887341031,16.412356710967412,0.47400649730167727,0.6471074635040616,0.7186217125887685,0.90827640222109,1.1101787839833086,1.3318258539164816,1.601089670115301,1.8851593673292897,2.1502599433268528,2.4128612064529347,588.4243619078791,628.3360930659209,19.14604915623882,85.91771578700653,-91.74535481113804,-5.125599437494362,502.5066461208726,720.081447877059,24.271648593733183,0.8725903089412713,0.9317764882977082,0.02839219112899801,0.12740969105872857,-0.13605165367220248,-0.007600889232680363,396.7993067752465,423.71346648876016,12.9109865676665,57.93793097460867,-61.867753182197305,-3.456407374111685,0.0580969046237503,0.06112994830676422,0.7235802834710303,0.5421321515241514,674.3420776948857,0.0,1.0,0.0,1347.6999153063296,36.71103261018858,11.045814198619283,1678.1207035551372,40.964871579868735,11.883409556653731,2460.711449455606,49.60555865480809,13.500615334468392,3.989438142943123,3.989438142943123,9862.203613503789,9735.328378829687,300.17777979563107,1.0130324555820842,32.85454246552905,32.43187548877786,8.381422304516969,10.582349022805115,20.041118433948004,0.8938251224524068,9.891031270445747,14.386643395462196,7.608523087826884,63.95917410951275,24.519484860003214,8.682783183282156,13.477036266631666,16.68267396309268,45.34719317885837,8.457538560038712,6.487292049598572,41.337924995686116,8.810399514615387,46.40625560061869,5.609512550143692,5.331396988580095,22.453376280426337,10.552811668039961,37.77215785579579,5.749331244240384,7.465312786882195,13.49053638693024,7.986283840287697,22.216775546304618,7.1005909401257625,7.033781347808348,7.5130436524700155,7.150802961047359,7.409530978669232,6.251963889592604,0.8301952337613935,14.20424523634567,0.5773791552395643,16.30109867045447,1.6837639321997593,1.4118507156478748,2.3458619921161223,1.9073267336451758,11.65512218344042,0.7464582798602188,1.384954188473155,3.713911406401927,1.3378938237401132,9.247747681448988,1.2255900198372935,0.44840307808841445,2.8666011247756673,1.2654447704041232,6.785044332514474,0.4948311595106064,0.5929508359156406,1.8146987848848746,1.1359345981934958,4.359578642580359,0.3646249926562111,0.9742533180968483,1.4552388740724451,1.232041245671839,2.195395604237477,0.3581705369120854,2.679704881007621,14.216434645051509,1.9035035565930227,19.982792860827665,3.3131426219787232,2.3854481439734645,4.478833532070315,3.898304327576486,16.257715938667502,1.8206088514224796,2.1241163544012878,9.763374623750643,2.2638726532587774,15.046061230474242,1.7590305427188595,1.1726613989509833,5.328493113165212,2.4091209159442224,11.428379145014885,1.236945779640248,1.5847268161103032,3.139179875727803,1.9366584727373728,7.053659902268282,1.2818379715481556,1.8712723056758294,2.3817094677738555,1.9710454111987195,2.9377138697681326,1.1967471199997064,9.336333325027331,14.366618100552092,7.13949190556758,58.90258783358117,22.048920104982127,8.057044496945561,12.746371183540823,15.415531779538409,42.47988363733907,7.808643038570279,6.067974909288147,38.45782830667225,8.14091890033713,43.499423200076755,5.2132765278334015,4.93607456628721,20.71083608105661,9.718187052274356,35.28018536959818,5.310755480860488,6.8991865909329055,12.401179386047911,7.355506908053576,20.787154960514506,6.526286230931239,6.542590220758045,7.032501462589931,6.622493964374685,6.976413147596235,5.762211860558825,3.9493353190288634,14.232237763590296,2.8462350805070873,24.305442536910796,5.33188758601778,3.2053865746420884,5.984364708409909,5.569387523171852,20.09265071886208,2.7063939633205996,2.7212971633101475,14.400241004192711,3.0774782750679384,19.55687947697558,2.232531302271022,1.7507424813940629,7.474630323967762,3.4175249077323024,15.115242877180275,1.8444989355027244,2.3875901642716633,4.36277612567342,2.663763721971109,9.185419956979404,2.0473887875673853,2.5879591492664256,3.109764681601848,2.617646361837264,3.5428999371714234,1.8806230231072518,11.944828153566533,14.470846789915614,9.388950022661062,85.11010305997294,34.88470622322383,11.204689396096647,16.238248725188146,21.786043018299253,56.87723202528666,11.060882327664277,8.161274817228755,52.65651880795561,11.529916737924585,57.88655336333929,7.2217664275464015,6.904540491042076,29.52226708549369,13.945140589280943,47.67434680920587,7.505909964098614,9.726519870034531,17.949231809861203,10.561799657166159,27.891991957412007,9.410846336598482,8.988954459970515,9.416817258043663,9.295336043101997,9.142510106523318,8.211694882437529,5.891177225509709,12.220585686682735,4.438626804163153,32.08329946028234,9.92964670898046,5.206791290257242,8.375150048080629,8.864565254362157,25.159137282428958,4.542634999251737,3.976568484195511,21.047533474097182,4.750438343622085,25.26079523626086,3.2997716250335993,2.9047686476000187,11.745864837389217,5.4527571156588746,20.207022159519877,3.01364883996397,3.886251387959358,6.978373315985515,4.230137468696159,12.423095023588694,3.4331430978743254,3.808780967389436,4.592224350314393,4.015482657481608,5.110161612610766,3.0514241709852477,35.33019400897419,1.3343802975834818,0.7398565792646671,0.9445456907717754,0.03567439113448084,0.5665144700735332,0.35752880299817447,0.39698487257396214,37.404430885822336,74.27044132202208,146.55460774149705,0.9168185361576631,1.3210281456456698,35.85266471798428,0.7824975752469716,0.3158743700497138,0.9702749355774324,0.02117660682642109,0.5829309650075785,0.12423369323436921,0.07340698597038854,36.951036663280966,39.6267320190088,85.4395051150879,0.9554124033661485,0.7805716442123362,35.65404514556434,0.9918651208696851,0.4762108724812288,0.960452798808096,0.026718977537894765,0.5766139355459686,0.19906705873012726,0.16591724048920706,37.122121138915254,52.81518469864575,106.77802894054007,0.9406791982121441,0.9415982347653029,35.34405946462392,1.3196903005355676,0.7285043117446807,0.9452240935230127,0.03529314648486763,0.5669415941116528,0.3498585471395589,0.385035199098059,37.392254076904166,73.35291224566322,144.72494771112713,0.9178361402845192,1.3018353403492706,35.561842200963596,1.0892492865181431,0.5509689439064835,0.9559105541089672,0.02927927308023829,0.5737127207563819,0.23967910340705406,0.22153085052502178,37.20206043138822,58.92932441454812,117.47355876187888,0.9338658311634508,1.0349226746884577,35.286457861703916,1.38073121910401,0.7757062445532135,0.9424072993042126,0.03687565310070457,0.5651703596406413,0.3822191094032467,0.43589405574576184,37.442895325361135,77.16408152144885,152.40024920365659,0.9136109489563189,1.3832835247896498,35.46954411968367,1.3257200017787,0.7305962243016133,0.9452026893685215,0.03532817074847828,0.570952453052969,0.35292979041881134,0.38701481765711776,37.52586034576398,73.90516513275774,145.7856209337141,0.9178040340527822,1.3108970611288981 +UMLCN0100,L,tetralin,C1CCC2=CC=CC=C2C1,Aromatics,Cyclic,C10H12,NREL (2014),IQT,PubChem,,8.9,0,0.5610000000000004,0.3147210000000004,44.0696,25.601515999999982,6,6,22,10,12,0,10,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1454.8339779999985,1732.1903869999992,2314.3320620000004,2109.623051999998,1243.022261999998,523.728914,84.835296,4.064256,0.0,4608.173950664458,6035.52531568885,8807.250395106788,8990.557478571474,6418.372323644552,3440.7165534938135,1061.4246313942745,124.33497772372105,0.0,156.02672800000002,168.35726,303.264248,404.792112,352.83055199999995,257.4122960000002,123.32735999999997,26.873856,0.0,33.224354858187986,44.04043172,67.54811505939598,73.54232287273494,56.36430996788608,33.180016962433,12.016620718188005,1.7784516193959998,0.0,3486.9553851909886,3232.2084895448006,6189.732738466598,8888.973484830738,7943.289696266488,6153.394655424434,3137.747110568388,739.6706080969959,0.0,42.55555555555556,53.19444444444445,85.83333333333334,101.91666666666669,85.0,56.0,23.0,4.0,0.0,66.12881718181812,75.3126255217391,55.10314433333334,37.01093073684207,24.860445239999958,14.154835513513515,4.713072,1.016064,0.0,209.4624523029299,262.4141441603848,209.69643797873306,157.72907857142937,128.36744647289103,92.99233928361659,58.96803507745969,31.083744430930263,0.0,7.092124000000001,7.3198808695652176,7.220577333333334,7.101616,7.056611039999999,6.957089081081087,6.851519999999998,6.718464,0.0,1.5101979480994538,1.9148013791304348,1.6082884537951425,1.2902161907497358,1.1272861993577217,0.8967572152008919,0.6675900398993336,0.44461290484899996,0.0,158.49797205413586,140.5308038932522,147.37458901110946,155.94690324264454,158.86579392532977,166.30796366011984,174.319283920466,184.91765202424898,0.0,1.9343434343434345,2.31280193236715,2.043650793650794,1.7880116959064332,1.7,1.5135135135135136,1.2777777777777777,1.0,0.0,0.04665995451646001,0.0020273321197887464,-0.013973144000152857,-0.008576438184462978,-0.01776607064451778,-8.440708473937838E-5,0.0084092373864406,0.0066335131494136106,0.0,660.3600490909088,36.01963904132226,-116.06328135537196,-93.05073419008247,-334.18220666115724,-43.02345774380143,120.06546347107435,100.05455289256197,0.0,1227.9677096684877,66.98005689100884,-215.82462775991536,-173.0318136351043,-621.4260833776882,-80.00395684203784,223.26685630336095,186.0557135861343,0.0,0.1293599999999998,0.007056000000002036,-0.022735999999997807,-0.018227999999999658,-0.06546400000000055,-0.008428000000001826,0.023519999999998358,0.019599999999999413,0.0,5.489587008267272,0.2994320186327723,-0.964836504483326,-0.7735327148012971,-2.7780637284261687,-0.35765491114469844,0.998106728775858,0.8317556073132197,0.0,29.819523755176313,1.6265194775550265,-5.241007205455283,-4.201841983683957,-15.090486263983196,-1.9427871537463075,5.4217315918502775,4.518109659875214,0.0,3.4444444444444438,0.7499999999999986,0.05555555555555458,-0.3055555555555568,-2.1111111111111116,-0.8888888888888888,0.33333333333333415,0.44444444444444486,0.0,0.002120907023475455,8.814487477342376E-5,-3.3269390476554423E-4,-1.504638277975961E-4,-3.553214128903556E-4,-2.28127256052374E-6,4.6717985480225553E-4,0.0016583782873534026,0.0,30.01636586776858,1.566071262666185,-2.7634114608421894,-1.6324690208786397,-6.683644133223145,-1.1627961552378765,6.670303526170797,25.013638223140493,0.0,55.81671407584035,2.912176386565602,-5.138681613331318,-3.035645853247444,-12.428521667553763,-2.1622691038388604,12.403714239075608,46.51392839653357,0.0,0.005879999999999991,3.067826086957407E-4,-5.413333333332811E-4,-3.197894736842045E-4,-0.001309280000000011,-2.2778378378383315E-4,0.0013066666666665754,0.004899999999999853,0.0,0.24952668219396693,0.013018783418816187,-0.022972297725793477,-0.013570749382478898,-0.055561274568523375,-0.009666348949856714,0.055450373820881,0.20793890182830493,0.0,1.3554328979625596,0.07071823815456636,-0.1247858858441734,-0.07371652602954311,-0.30180972527966393,-0.052507760912062364,0.30120731065834877,1.1295274149688035,0.0,0.15656565656565655,0.03260869565217385,0.0013227513227512995,-0.0053606237816764355,-0.04222222222222223,-0.024024024024024024,0.018518518518518563,0.11111111111111122,0.0,0.041559990040951386,-0.15686397427284227,-0.07094315127074094,-0.16753276261403624,-0.0010756117714134869,0.22027361389784286,0.7819193717581627,0.0,0.0521739130434782,-0.09206349206349215,-0.05438596491228062,-0.2226666666666669,-0.03873873873873856,0.22222222222222227,0.8333333333333336,0.0,0.05217391304347859,-0.09206349206349178,-0.054385964912280454,-0.2226666666666663,-0.03873873873873874,0.22222222222222177,0.8333333333333324,0.0,0.05217391304349339,-0.09206349206348331,-0.05438596491227976,-0.22266666666666887,-0.03873873873874719,0.22222222222220703,0.8333333333333096,0.0,0.052173913043480354,-0.09206349206349085,-0.05438596491228068,-0.22266666666666696,-0.03873873873874009,0.22222222222222007,0.8333333333333299,0.0,0.05217391304347681,-0.09206349206349299,-0.05438596491228099,-0.22266666666666715,-0.03873873873873818,0.22222222222222385,0.8333333333333361,0.0,0.2082748948106588,0.008448540706605076,-0.03423882286361079,-0.2696774193548388,-0.15344376634699217,0.11827956989247342,0.7096774193548394,0.0,0.957956913291733,1.0707649682449432,0.9402002945724486,1.0992078396557132,1.0480568618127346,0.8648599639403765,0.27436757914736054,0.0,1.0043478260869574,1.1000000000000012,1.0131578947368434,1.1550000000000016,0.9364864864864876,0.6416666666666669,0.0,0.0,1.004347826086956,1.099999999999999,1.0131578947368411,1.154999999999999,0.9364864864864857,0.6416666666666664,0.0,0.0,1.0043478260869565,1.0999999999999999,1.013157894736842,1.1549999999999998,0.9364864864864865,0.6416666666666668,0.0,0.0,1.0043478260869567,1.1000000000000003,1.0131578947368425,1.1550000000000005,0.9364864864864867,0.6416666666666667,0.0,0.0,1.0043478260869572,1.1000000000000012,1.013157894736843,1.155000000000001,0.9364864864864874,0.641666666666667,0.0,0.0,0.8320476858345023,0.9233870967741938,0.9418505942275044,1.2600000000000002,1.1534437663469925,0.7620967741935486,0.0,0.0,37.74068856412231,18.4237568034455,27.145258780891943,37.740688564122316,3.774068856412231,18.42375686504244,1.4210854715202004E-14,0.21928251609344454,0.021928251609344453,-1.517394352712664,53.40082441769322,5.340082441769322,3.9778261843805574,37.74068856412231,18.4237568034455,27.145258780891943,37.740688564122316,3.774068856412231,18.42375686504244,1.4210854715202004E-14,0.21928251609344454,0.021928251609344453,-1.517394352712664,53.40082441769322,5.340082441769322,3.9778261843805574,37.74068856412231,18.4237568034455,27.145258780891943,37.740688564122316,3.774068856412231,18.42375686504244,1.4210854715202004E-14,0.21928251609344454,0.021928251609344453,-1.517394352712664,53.40082441769322,5.340082441769322,3.9778261843805574,37.74068856412231,18.4237568034455,27.145258780891943,37.740688564122316,3.774068856412231,18.42375686504244,1.4210854715202004E-14,0.21928251609344454,0.021928251609344453,-1.517394352712664,53.40082441769322,5.340082441769322,3.9778261843805574,37.74068856412231,18.4237568034455,27.145258780891943,37.740688564122316,3.774068856412231,18.42375686504244,1.4210854715202004E-14,0.21928251609344454,0.021928251609344453,-1.517394352712664,53.40082441769322,5.340082441769322,3.9778261843805574,37.74068856412231,18.4237568034455,27.145258780891943,37.740688564122316,3.774068856412231,18.42375686504244,1.4210854715202004E-14,0.21928251609344454,0.021928251609344453,-1.517394352712664,53.40082441769322,5.340082441769322,3.9778261843805574,43.80845579170631,20.575796438317052,31.08689565045998,43.804092154810675,4.380409215481068,20.57579644672858,-0.16888888888888687,0.39623797613963907,0.03962379761396391,-0.9257402983781329,48.2106510090266,4.8210651009026595,3.8755799719361193,0,11.899999999999999,12.100171725916232,-0.13614942537604738,0.06470107458745553,6.9134375000000015,8.936746114447294,11.0,23.0,20.0,17.0,5.0,3.0,0.0,0.0,0.0,6.0,13.118483999999997,3.859257448990537,3.2660332799663307,2.8574885601189,2.5398167957500006,2.3504755352009745,1.4973155082921634,1.237267248661896,0.751328948922188,2.0534894171302187,1.6664127168504728,1.350290776101894,1.0176717333102892,0.9670920395562892,0.5606588920133911,0.5585491471843773,0.239945645026818,3.8705550616016406,3.292828810763749,2.8861237944140847,2.565641590283518,2.3921252008110687,1.5821515469694456,1.3496193421228755,0.880447417710463,2.0207071795178453,1.6082113726500444,1.2719738692642295,0.9354092572549029,0.8784643083924291,0.43183852410921436,0.4057555157610244,0.07238177979009947,3.922762979203441,3.4115929012764856,3.0217376134054614,2.689753708794162,2.576649470284765,1.9361589115546942,1.8021535101869137,1.3982256566808593,1.9337507418975277,1.4354005996840011,1.0505162142866178,0.7167322898824623,0.6134691924979733,0.0020516784579326024,0.11598811037823004,0.5091336159448323,3.879002939954819,3.312633684509334,2.907765452229466,2.5852083216080572,2.422938245014392,1.6438779227124345,1.430332416432714,0.9732594287599621,2.000738781683213,1.570956035682639,1.2226567363963878,0.8849007038651683,0.8216185379883187,0.34568882662216077,0.3026434708959523,0.04135680912731102,3.949942255841102,3.4696810493074546,3.0927891099935207,2.756903945356699,2.6663424600756738,2.0938870785083172,1.997147002017783,1.6182699834022811,1.9091061091419732,1.3814021529734761,0.9859721551768205,0.6565952108498219,0.5298499541673432,0.149920177143944,0.30576118636170196,0.7244684101398623,3.926253365399642,3.317202770232064,2.939257165485008,2.6105501163591533,2.4883497207202447,1.719552514464752,1.5071736277051597,1.1395795268948927,1.9875366252078237,1.516102540265553,1.2097764175863486,0.8275989082506617,0.6881236532307407,0.22732513987999511,0.1907037017356148,0.21483694924990257,0,0,0,4,2,0,4,0,0,0.0,0.0,0.0,0.16666666666666666,0.23570226039551587,0.0,0.0,0.0,0.09027777777777778,0.11145249371462253,0.3333333333333333,0.0,0.08333333333333333,0.0,0.20412414523193154,0.0,0.041666666666666664,0.0,0.9428090415820635,1.4999999999999996,1.8856180831641258,0.5243773949903288,0.7603103630798287,0.8739623249838813,6.811554787871632,4.966326495188786,4.089073411524036,3.4663264951887856,2.8575892353471595,2.316496580927726,1.1401194830787669,0.7041241452319316,0.6811554787871632,0.4514842268353442,0.29207667225171685,0.19257369417715475,0.12989041978850724,0.08909602234337408,0.06333997128215371,0.04400775907699572,6.137828201504693,4.034457050376174,2.9758171096315813,2.26061613165652,1.6761768643159771,1.2320846168518835,0.5368733455934589,0.2950280344814878,0.6137828201504693,0.3667688227614704,0.21255836497368438,0.1255897850920289,0.07618985746890805,0.0473878698789186,0.029826296977414384,0.018439252155092987,13.250966822715249,21.32702112163146,20.352941176470594,20.56,14.79132694610778,165.14030898203595,0.602316673759784,0.9694100509832482,0.9251336898395724,0.9345454545454545,0.6723330430048992,7.506377681001634,2.5654000000000003,43.084000000000024,69.06175437447962,80.5546797136114,138.12350874895924,13.812350874895923,69.06175437447962,1.0547118733938987E-15,1.0547118733938987E-16,-34.485508771070606,35.258437856282,3.5258437856282,3.562704872422836,90,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,4.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.957962962962961,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5768055555555556,0.0,1.2905555555555557,0.0,0.0,1.5768055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.37537037037037,0.0,0.0,8.802870370370371,0.0,0.0,0.0,0.0,3.155092592592593,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5775462962962965,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38097222222222227,0.0,0.28597222222222224,0.0,0.0,0.38097222222222227,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3017592592592593,0.0,0.0,2.143009259259259,0.0,0.0,0.0,0.0,1.5775462962962965,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.258425925925926,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4074305555555556,0.0,0.35930555555555554,0.0,0.0,0.4074305555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.385925925925926,0.0,0.0,2.258425925925926,0.0,0.0,0.0,0.0,1.5775462962962965,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.333333333333336,1.7333333333333336,0.4074305555555556,2.258425925925926,0.11631944444444445,1.3017592592592593,5.854005277777778,0.19824074074074077,0.2584259259259259,1.6057407407407402,0.19824074074074077,0.2584259259259259,1.6057407407407402,5.0,0.5,0.0,0.0,0.48182,0.7,0.44286,0.44286,0.7,0.03896,0.03896,-0.0,0.0,0.71429,0.0,0.0,0.0,0.2,0.0,11.5,1.15,5.5,0.55,6.0,0.6,0.5,0.05,0.0,0.0,6.41361,0.64136,10.92696,4.51335,0.45133,2.98601,0.2986,4.96631,1.9803,0.19803,-0.05231,-0.00523,0.11969,0.01197,0.45454545454545453,31.0,0,0,0,0,0,0,0.4,0.9940302114769565,2.368522527728207,2.9139770731827523,3.0957952550009344,3.0957952550009344,3.0957952550009344,21.86866465249304,52.10749561002055,64.10749561002055,68.10749561002056,68.10749561002056,68.10749561002056,0.22290513600939796,0.5311265493632514,0.653441362572838,0.6942129669760336,0.6942129669760336,0.6942129669760336,3.465401407160341,2.0909090909090904,1.545454545454545,1.3636363636363629,1.3636363636363629,1.3636363636363629,0.21147600460453747,0.5038938205264121,0.6199371224646102,0.6586182231106763,0.6586182231106763,0.6586182231106763,6.685280238679743,17.673332498978862,20.221632510615226,20.404873425524315,20.40487342552432,20.404873425524315,36.74662123772206,28.088138246456804,24.23565963323027,23.704957226453068,23.70495722645307,23.704957226453068,6.694214876033058,2.938775510204082,1.382716049382716,0,6,0,2.56,1.171400000000001,0.0,0.0,0.0,0.0,11.678631656953222,8.596559454588334,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.11499999999999999,0.112,0.679,0.88,5.25,14.0,18.0,22.0,26.0,18.0,16.0,14.0,12.0,0.0,161.0,2.70805020110221,3.1986731175506815,3.7074558396868715,4.172462341486053,4.6132623558854275,4.345427482225552,4.375363862622393,4.385925275089539,4.375363862622393,0.0,6.335608176067698,3.498835403726708,0.4,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,3.0,0.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0,3.0,5.0,0.6666666666666666,1.0,0.8888888888888893,0.25,0.28444444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.09090909090909091,0.06349206349206352,0.020833333333333332,0.047407407407407405,0.0,0.0,0.0,0.0,0.0,0.0,0.22264189514189517,22.15898890117216,32.158988901172165,44.31797780234433,4.431797780234433,22.15898890249232,5.273559366969494E-16,5.2735593669694933E-17,-35.17865595163055,5000017.121246596,500001.71212465956,15.424951894641831,0.0,137.9940114554669,4.321928094887363,3.9318256327243257,4.74493212836325,5.572154032177765,6.401917196727186,7.234898420314831,8.068089626278244,8.902047345620277,9.735956081214809,10.570059724910275,86.16188018833097,3.1354942159291497,0.0,4.3694478524670215,0.0,5.849324779946859,0.0,7.43543801981455,0.0,9.06681636189014,9.288504392945537,132.093900384,6.004268199272727,20.658424477801383,2.0658424477801383,0.0,0.0,0.0,109.0,12.0,3.4539999999999993,50.0,1.2640781402301735,2.211558200021381,2.9974647406458117,3.875003080526273,4.888970194316992,5.725451816864649,6.536119692378905,0.0,0.0,0.0,105.89391329022945,131.47840641800744,119.00403563524887,105.82846977849584,70.42551243071134,26.7724401276888,6.641115919117279,0.0,0.0,0.0,356.69549935319804,488.3868363024594,497.15674359077633,527.8928496226628,461.2158995034259,336.0194560538639,203.16707408787641,0.0,0.0,0.0,9.287117082003697,16.013140239769854,21.34745465071503,27.42695893053874,34.04035646686733,39.2204167587937,43.912684852938746,0.0,0.0,0.0,2.5560121547435837,3.698534641374806,4.020179734231009,4.5644128298582345,4.433777809952492,3.8094666806590727,2.9060431628693366,0.0,0.0,0.0,175.5116944517363,322.90180398152575,463.0072921753644,609.4683662632632,810.9240105459807,998.6644861602147,1208.643906864164,0.0,0.0,0.0,3.0151268696449294,4.631602129530835,5.4962065383969145,6.77952659046673,7.436249807411699,7.279959769809622,6.536119692378905,0.0,0.0,0.0,0.5244426495316467,0.7671448991958236,0.844623045288075,0.9696978790504699,0.9596000680140382,0.8462631641431405,0.6692986564995999,0.0,0.0,0.0,266.59280369005785,128.04627235274552,10.920067140277936,82.86719659544737,-39.80165809991395,-4.769739590624652,183.7256070946105,167.84793045265945,15.689806730902589,0.762870724753203,0.36641181322077787,0.0312484036266135,0.23712927524679714,-0.11389474637267902,-0.013648885671401087,93.16352125364125,44.74705037294832,3.8161266659592634,28.958770545904052,-13.909087450959511,-1.6668331987014762,0.12916152135165684,0.12801168559645681,2.717308856760178,1.6586274918165118,349.4600002855052,0.0,1.0,0.0,775.9487653156539,27.85585693019789,9.189199539370321,893.0424474715277,29.883815811765533,9.629950039302644,1352.2385976975115,36.77279697952702,11.058200058988858,1.3472127841629964,1.3472127841629964,573.6590912596271,419.2773241415173,179.90540609468036,1.368209197657448,3.1886706670600136,2.330543218478163,4.086753357125285,3.86837654617049,7.157029754528586,0.8501378211523144,3.673442926230568,5.408424978523769,3.684304780652064,21.514689328539358,5.022378492247286,8.070012955803335,7.415314049910347,7.1995062410513535,5.6166950329808705,1.1836241919317498,4.375968689978958,0.6160004738956565,0.8978736328892225,7.78969686986231E-6,1.377478164235678E-31,4.6988336783329016E-79,3.0915147891711005E-148,3.923091963697319E-239,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3082893294114612,5.408256110446791,0.29807960217572815,7.584607809371718,1.0984088062257178,1.1536433384853477,1.267345777600542,0.38798335799831646,1.6111430391388522,0.037260529022621336,0.25854572199989173,0.0043385466154776285,0.006323797411332477,5.4863471981226565E-8,9.70169134060686E-34,3.3094269797974524E-81,2.177379143872055E-150,2.763065747305356E-241,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9951889210511371,5.408267770854367,0.9695337616926745,8.993205810408787,1.633869951866619,2.4378508107151604,2.4212031712320674,1.3544119122448195,2.042720224105651,0.16118309794016827,0.9062419811647086,0.04521096221610112,0.06589884469951657,5.717196780036199E-7,1.0109910381246448E-32,3.448678071110277E-80,2.268996944729086E-149,2.8793275421810676E-240,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.467430634372844,5.408406571413364,3.4700168118312473,20.15430488532805,4.688229103784924,7.601467363411707,7.00318320436291,6.632530761498722,5.234909360564097,1.0745038494066321,4.055711770706979,0.548845335431426,0.7999892419982213,6.940479668908947E-6,1.2273082448473675E-31,4.186576211742961E-79,2.7544840189336685E-148,3.4954043101015563E-239,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4667239565572066,5.408282547872487,1.4363291639363907,10.38619449632934,2.0802810901506383,3.3572974569065446,3.243301061874621,2.1437138977912924,2.453608106354413,0.27893551187199866,1.4080988643672574,0.09820423923848211,0.14314109652773566,1.2418515375964158E-6,2.1960076301297742E-32,7.49098960567214E-80,4.928564562361529E-149,6.254284176446745E-240,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.436213715849053,5.408502293657014,4.485648403315,27.127916419608844,6.366230075663617,9.856068570126027,8.981848040647288,9.469051054317779,7.185338979497422,1.6318620364939809,5.639161939591669,0.8983787824671069,1.3094643099926766,1.136054079673019E-5,2.0089224449732716E-31,6.852807316068806E-79,4.508683774583622E-148,5.721460930699288E-239,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0740234167110545,4.829407339758788,2.021028669482984,12.352698295876811,2.56659102212135,4.4819393677031565,4.610322256639935,3.5184798273811504,3.288863165608888,0.4719848622719222,2.1954073420643203,0.20502975822110772,0.2988484724853181,2.592724549880206E-6,4.5848015821453774E-32,1.5639609136463057E-79,1.0289805141471857E-148,1.305762857739492E-239,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.085920217742334,2.144047535859529,0.378660460818804,0.6182705525522619,0.3244315561860492,0.5095232429138108,0.5399114568735546,0.2304097609244007,6.608628214420667,11.119449635034252,21.045297667137604,0.427405828828393,1.279844460711766,3.146742034517656,1.2652423374358466,0.09658129941911808,0.697947476843481,0.2806307880729276,0.3022244208909771,0.18803164539631012,0.014950716738079869,4.508565671372621,4.407506430720861,9.300600042230514,0.5469212152652216,0.5052067830253671,3.4650152256369573,1.5630590658112802,0.19218932131618455,0.663762499879204,0.2994214817024447,0.366443771172757,0.2869572719565728,0.059269514704009756,5.2202636127644215,6.382365647206758,12.643531133289763,0.49564374981880593,0.7126705578333395,4.0562450101935745,2.11628055046173,0.36974939296273135,0.620005279348642,0.32347777576840847,0.5021494961815792,0.5260179607752343,0.21968105529792262,6.542274953618036,10.866440002079345,20.582700103193833,0.4300079190229631,1.2478485122547363,3.6276056297611765,1.715198619569396,0.2410237041316058,0.6496628585255618,0.30717254074884415,0.4016363507205612,0.34553369034699855,0.09325904606748005,5.583827953462178,7.509806639132277,14.593299545832924,0.4744942877883427,0.8404290871350397,4.18159714859313,2.233571712655265,0.40739038525062876,0.6129074145803723,0.3273803322120531,0.5336632738566717,0.5859389827475272,0.26674370474004266,6.822559246499024,11.95337521864935,22.58091874488122,0.41936112187055846,1.3863459613442415,4.067418769527169,2.1178643823828254,0.3699756041444844,0.6204818026093136,0.32307868555558583,0.504919985807389,0.5268036080411106,0.21997179150359442,6.555258756054478,10.90264521114957,20.644963111297212,0.43072270391397033,1.251695385352094 +UMLCN0101,L,cyclohexene,C1CCC=CC1,Cycloalkenes,,C6H10,Marquardt (2015),IQT,PubChem,,18.1,0,0.40300000000000047,0.1624090000000004,25.0454,17.22793,0,0,16,6,10,0,6,0,0,0,0,0.0,0.0,0.0,0.0,0.0,875.7453660000001,986.6556059999996,1111.790741999999,692.2072110000001,137.32790400000002,8.128512,0.0,0.0,0.0,2851.938854805283,3688.4675742011655,4960.1687156300695,4093.7066879841805,1644.7060746000698,248.6699554474421,0.0,0.0,0.0,112.42773599999997,116.419416,214.46959200000015,279.1880760000002,178.67174400000007,53.74771199999999,0.0,0.0,0.0,21.179529048489986,27.868843100000007,40.78273781939603,38.196005582433045,18.249249577583996,3.5569032387919997,0.0,0.0,0.0,2609.9426567824903,2291.991613669001,4562.887698894997,6586.434106940234,4489.907909516985,1479.341216193992,0.0,0.0,0.0,27.0,32.75,53.5,59.25,33.0,8.0,0.0,0.0,0.0,54.73408537500001,61.665975374999974,37.05969139999997,17.305180275000005,5.281842461538462,1.016064,0.0,0.0,0.0,178.24617842533019,230.52922338757284,165.338957187669,102.3426671996045,63.25792594615653,31.083744430930263,0.0,0.0,0.0,7.026733499999998,7.2762135,7.1489864000000045,6.979701900000005,6.8719901538461565,6.718463999999999,0.0,0.0,0.0,1.3237205655306241,1.7418026937500004,1.3594245939798677,0.9549001395608261,0.7018942145224614,0.44461290484899996,0.0,0.0,0.0,163.12141604890564,143.24947585431255,152.09625662983322,164.66085267350587,172.68876575065326,184.917652024249,0.0,0.0,0.0,1.6875,2.046875,1.7833333333333334,1.48125,1.2692307692307692,1.0,0.0,0.0,0.0,0.03587945178569508,1.3395656779183413E-4,-0.018313240218721882,-0.010018029460460796,3.735143258743437E-4,0.009884072892668985,0.0,0.0,0.0,453.9975337500001,3.836930773104541E-13,-215.64882853124968,-136.19926012500014,-11.349938343750459,136.19926012499977,0.0,0.0,0.0,844.2278003970848,1.2789769243681803E-13,-401.0082051886153,-253.26834011912567,-21.105695009927384,253.2683401191254,0.0,0.0,0.0,0.08893499999999988,1.375635716449608E-15,-0.042244124999998627,-0.026680500000000502,-0.0022233750000012643,0.026680499999999156,0.0,0.0,0.0,3.774091068183752,1.27675647831893E-15,-1.7926932573872798,-1.1322273204551243,-0.09435227670459495,1.1322273204551243,0.0,0.0,0.0,20.500922581683717,5.0182080713057076E-14,-9.737938226299724,-6.1502767745051425,-0.5125230645421421,6.1502767745050875,0.0,0.0,0.0,2.0,0.25,-0.875,-0.75,-0.125,0.5,0.0,0.0,0.0,0.0022424657366059424,8.372285486989633E-6,-6.104413406240628E-4,-2.504507365115199E-4,1.436593561055168E-5,0.001235509111583623,0.0,0.0,0.0,28.374845859375007,2.398081733190338E-14,-7.188294284374989,-3.4049815031250033,-0.43653609014424843,17.02490751562497,0.0,0.0,0.0,52.7642375248178,7.993605777301127E-15,-13.366940172953843,-6.331708502978142,-0.8117575003818225,31.658542514890677,0.0,0.0,0.0,0.005558437499999992,8.59772322781005E-17,-0.0014081374999999543,-6.670125000000126E-4,-8.55144230769717E-5,0.0033350624999998945,0.0,0.0,0.0,0.2358806917614845,7.979727989493313E-17,-0.059756441912909325,-0.02830568301137811,-0.003628933719407498,0.14152841505689054,0.0,0.0,0.0,1.2813076613552323,3.1363800445660672E-15,-0.32459794087665744,-0.15375691936262856,-0.01971242555931316,0.7687845968131359,0.0,0.0,0.0,0.125,0.015625,-0.029166666666666667,-0.01875,-0.004807692307692308,0.0625,0.0,0.0,0.0,0.0037335176856086137,-0.27221880390823233,-0.11168542396129835,0.006406312201806513,0.5509600844352759,0.0,0.0,0.0,8.451435278539198E-16,-0.2533333333333329,-0.12000000000000008,-0.015384615384616003,0.5999999999999989,0.0,0.0,0.0,1.514966604708599E-16,-0.25333333333333335,-0.1200000000000001,-0.015384615384615576,0.5999999999999999,0.0,0.0,0.0,1.5467877848424242E-14,-0.25333333333332547,-0.12000000000000242,-0.015384615384624153,0.5999999999999819,0.0,0.0,0.0,3.3829509019594426E-16,-0.253333333333333,-0.11999999999999987,-0.015384615384615573,0.5999999999999993,0.0,0.0,0.0,2.4477962156635625E-15,-0.25333333333333224,-0.12000000000000052,-0.015384615384616863,0.5999999999999973,0.0,0.0,0.0,0.125,-0.23333333333333334,-0.15,-0.038461538461538464,0.5,0.0,0.0,0.0,1.1547920427817724,1.3110205335659646,1.0191888820124981,0.7949763074238868,0.09447150437396219,0.0,0.0,0.0,1.25,1.333333333333334,1.0000000000000004,0.7692307692307692,0.0,0.0,0.0,0.0,1.2500000000000002,1.333333333333333,0.9999999999999998,0.7692307692307694,0.0,0.0,0.0,0.0,1.2500000000000002,1.3333333333333333,1.0,0.7692307692307693,0.0,0.0,0.0,0.0,1.2499999999999996,1.3333333333333328,0.9999999999999997,0.7692307692307689,0.0,0.0,0.0,0.0,1.2500000000000007,1.3333333333333346,1.0000000000000009,0.7692307692307696,0.0,0.0,0.0,0.0,1.0546875,1.3125,1.078125,0.7932692307692307,0.0,0.0,0.0,0.0,18.132880285232353,8.51306109841665,12.780726434055513,18.132880285232353,3.022146714205392,8.513863339457258,-3.552713678800501E-15,0.07824296318262167,0.013040493863770278,-1.5287618285905327,35.91037200002706,5.98506200000451,2.1486157004499007,18.132880285232353,8.51306109841665,12.780726434055513,18.132880285232353,3.022146714205392,8.513863339457258,-3.552713678800501E-15,0.07824296318262167,0.013040493863770278,-1.5287618285905327,35.91037200002706,5.98506200000451,2.1486157004499007,18.132880285232353,8.51306109841665,12.780726434055513,18.132880285232353,3.022146714205392,8.513863339457258,-3.552713678800501E-15,0.07824296318262167,0.013040493863770278,-1.5287618285905327,35.91037200002706,5.98506200000451,2.1486157004499007,18.132880285232353,8.51306109841665,12.780726434055513,18.132880285232353,3.022146714205392,8.513863339457258,-3.552713678800501E-15,0.07824296318262167,0.013040493863770278,-1.5287618285905327,35.91037200002706,5.98506200000451,2.1486157004499007,18.132880285232353,8.51306109841665,12.780726434055513,18.132880285232353,3.022146714205392,8.513863339457258,-3.552713678800501E-15,0.07824296318262167,0.013040493863770278,-1.5287618285905327,35.91037200002706,5.98506200000451,2.1486157004499007,18.132880285232353,8.51306109841665,12.780726434055513,18.132880285232353,3.022146714205392,8.513863339457258,-3.552713678800501E-15,0.07824296318262167,0.013040493863770278,-1.5287618285905327,35.91037200002706,5.98506200000451,2.1486157004499007,21.59580837405479,9.43645680769229,14.312254009020085,21.59580837405479,3.5993013956757984,9.436862402275032,-0.11111111111110894,0.14514457752726034,0.024190762921210057,-1.1580149681562732,22.36835534059632,3.72805922343272,1.8645883512234867,0,11.900000000000006,12.10008240422211,-0.16481752949496914,0.04221960400272487,6.5325853608012965,6.775229999035203,6.0,16.0,15.0,15.0,5.0,1.0,1.0,0.0,0.0,1.0,10.932069999999998,3.613534503006207,2.7661294109705894,2.670733643506341,1.4269156672769148,1.280358167067793,0.7453856005564882,0.08392307051869151,0.08392307051869122,1.9561027856764304,1.3066376362343561,1.2892475115572128,0.6135714647139958,0.5740124864322961,0.2599466846578872,0.08392307051869087,0.0839230705186911,3.635963715820123,2.8001309387885307,2.7140195831814222,1.5231462652287824,1.3889361793380182,0.8828431588098149,0.27091390189293757,0.2709139018929371,1.9045644979238205,1.2166364572580044,1.2116109633645031,0.4710953167352141,0.42292891886587264,0.09272027566165598,0.27091390189293707,0.2709139018929371,3.735659072488933,2.9529136571862606,2.9056016146967543,1.920183443856875,1.8292820176479656,1.415929731835606,0.9439184268026224,0.9439184268026221,1.7557825405163179,0.9838978676161594,0.9437759693285629,0.006408761986924351,0.09057695632263615,0.49041168225481985,0.9439184268026211,0.943918426802622,3.652542714268613,2.825381441899785,2.7460308089563843,1.5928390349553907,1.467119468875952,0.9801620057279845,0.3992772455089825,0.3992772455089825,1.871998278079697,1.1621453517465048,1.1585116076357627,0.3755504795802692,0.3211269218452304,0.02092063725724213,0.39927724550898197,0.3992772455089822,3.7848855746938384,3.028693113750997,2.998527179614308,2.0957801484157565,2.0203973980045404,1.637930713048708,1.2076448229620886,1.2076448229620884,1.7102264866964525,0.9137816043569745,0.8570437343611172,0.17587370689903475,0.27615499377866803,0.7086779349812096,1.2076448229620877,1.2076448229620882,3.7053512803073954,2.898715639455586,2.75063176521093,1.6933213538314105,1.5759873785749297,1.1723239168655808,0.6000000000000008,0.6000000000000001,1.8369418504575101,1.1193076664546746,1.0462221521357296,0.22999262043129748,0.1832944247983392,0.21942738003172046,0.5999999999999996,0.5999999999999996,0,0,0,2,0,0,4,0,0,0.0,0.0,0.0,0.125,0.0,0.0,0.0,0.0,0.08333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.242640687119285,3.0,2.1213203435596424,1.5,1.0606601717798212,0.75,0.0,0.0,0.7071067811865475,0.5,0.35355339059327373,0.25,0.17677669529663687,0.125,0.0,0.0,3.9831276631254413,2.6498299142610597,1.755861571167205,1.1582482904638631,0.7600796553858447,0.49999999999999994,0.0,0.0,0.6638546105209069,0.44163831904351,0.29264359519453415,0.1930413817439772,0.12667994256430745,0.08333333333333333,0.0,0.0,8.709139018929374,15.439184268026217,14.627450980392162,14.800000000000006,9.992772455089817,121.88397005988026,0.5443211886830859,0.9649490167516386,0.9142156862745101,0.9250000000000004,0.6245482784431136,7.617748128742516,2.04279,27.337999999999987,20.999999999999993,26.999999999999993,41.999999999999986,6.999999999999998,21.000000000972356,1.1102230246251565E-16,1.850371707708594E-17,-22.042080341806265,4000004.0,666667.3333333334,9.1210835514502,36,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,4.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.534722222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.632638888888889,0.0,0.0,1.0673611111111112,0.5805555555555556,0.0,0.632638888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.465277777777778,0.0,4.534722222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.267361111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3163194444444445,0.0,0.0,0.2434027777777778,0.2902777777777778,0.0,0.3163194444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3194444444444444,0.0,2.267361111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.267361111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3163194444444445,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.3163194444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4131944444444444,0.0,2.267361111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,1.6666666666666667,0.3163194444444445,2.267361111111111,0.2434027777777778,1.3194444444444444,3.903986111111111,0.18055555555555555,0.2673611111111111,1.0694444444444444,0.18055555555555555,0.2673611111111111,1.0694444444444444,3.0,0.5,0.0,0.0,0.45,0.7,0.43333,0.43333,0.7,0.01667,0.01667,0.0,0.0,0.71429,0.0,0.0,0.0,0.0,0.0,4.0,0.66667,3.0,0.5,1.0,0.16667,-2.0,-0.33333,0.0,0.0,4.06658,0.67776,5.0,0.93342,0.15557,2.45711,0.40952,3.0,0.54289,0.09048,-0.086,-0.01433,-0.0,-0.0,0.375,6.0,0,0,0,0,0,0,0.6666666666666666,0.954434002924965,2.0,2.5,2.5,2.5,2.5,15.27094404679944,32.0,40.0,40.0,40.0,40.0,0.23860850073124126,0.5,0.625,0.625,0.625,0.625,3.045565997075035,2.0,1.5,1.5,1.5,1.5,0.2335027962316612,0.48930108423645197,0.611626355295565,0.611626355295565,0.611626355295565,0.611626355295565,6.794779896422575,14.381846903,14.885759418999996,14.885759418999996,14.885759419,14.885759418999996,23.34095564721838,18.25,18.249999999999996,18.249999999999996,18.249999999999996,18.249999999999996,4.166666666666667,2.2222222222222223,1.3333333333333333,0,2,0,2.12,0.8024000000000006,0.0,0.0,0.0,0.0,9.125465128398087,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.093,0.088,0.377,0.384,3.064,6.0,6.0,6.0,6.0,0.0,0.0,0.0,0.0,0.0,36.0,2.0794415416798357,2.1972245773362196,2.302585092994046,2.3978952727983707,2.4849066497880004,0.0,0.0,0.0,0.0,0.0,3.9512437185814275,1.4166666666666667,0.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0,3.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,13.000000000000002,18.0,3.0,9.00042006176254,7.216449660063518E-16,1.2027416100105862E-16,-20.91899903566531,22.42419282679312,3.7373654711321866,1.8660842477706872,0.0,97.33944905440013,3.584962500721156,3.2188758248682006,3.8918202981106265,4.574710978503383,5.262690188904886,5.953243334287785,6.645090969505644,7.337587743538596,8.030409562130485,8.723394022000136,65.63782292184975,2.5649493574615367,0.0,3.6109179126442243,0.0,4.890349128221754,0.0,6.248042874508429,0.0,7.627057417018934,7.9211727215870145,82.07825032,5.129890645,11.8125,1.96875,0.0,0.0,0.0,27.0,3.0,2.8979999999999997,24.0,1.2869362606711554,2.2750654627225573,3.0456014280846437,3.849498830186746,4.532904866506453,0.0,0.0,0.0,0.0,0.0,93.92522789762613,94.06960818199671,53.81500920103963,19.944541135724776,4.6057214502820125,0.0,0.0,0.0,0.0,0.0,330.70714227974827,402.47482495637604,321.5908995951298,240.58557779857927,140.89965640020665,0.0,0.0,0.0,0.0,0.0,9.410629108071019,16.31781762745049,21.30693372542133,26.439757277088248,30.454158161048415,0.0,0.0,0.0,0.0,0.0,2.4262302690645354,3.248692958042744,2.989133527640454,2.678545282255716,2.015388000101603,0.0,0.0,0.0,0.0,0.0,181.45131051091704,342.28039026668586,497.5287392812514,665.8772259900597,838.2141247636652,0.0,0.0,0.0,0.0,0.0,2.737411054215655,4.1654889157727935,4.597849607016505,4.852030788367402,4.532904866506453,0.0,0.0,0.0,0.0,0.0,0.5000463341275251,0.6815691357980174,0.6431907975012271,0.593103484145457,0.4641694583302609,0.0,0.0,0.0,0.0,0.0,242.43552698027918,83.40823318826048,8.511748464096994,52.8651831032057,-18.18789339472902,-4.081485750643829,189.57034387707347,101.5961265829895,12.593234214740823,0.8209784761836161,0.2824518544661814,0.028824002697760625,0.17902152381638406,-0.061591092651240485,-0.013821455930430871,71.5913832667403,24.630510487302207,2.5135253654998535,15.611126109070089,-5.370897834386203,-1.2052656403607478,0.16537363261749463,0.25558302974943453,4.163263163868785,7.065174885316502,295.30071008348483,0.0,1.0,0.0,361.2160784613893,19.00568542466673,7.121787720079086,458.5110638664769,21.412871453088137,7.711104817423159,536.3589506215224,23.1594246608486,8.124909098768216,1.5911582472893582,1.1389445811035763,211.8600742979246,127.61707428495542,109.91603164763879,1.6601232670862167,1.9274720086064512,1.1610415002432166,3.3177399648315826,3.8200783407746726,5.196394924868772,0.3602849107578765,2.9524675981362893,2.263616531419823,3.443858116134446,12.127718309685148,9.317275168942544,6.935873700376365,7.159935865476221,2.4101555232994043,1.266887610548999,1.1928078480386778E-4,9.140722614266014E-29,1.5745176266352308E-74,5.301859283637554E-142,3.4470896490506594E-231,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24791334923978184,2.2634478866471133,0.3794708933140032,3.6665711630306816,3.90413807433669,0.49104776488406665,0.3604008753627575,0.01697542870430059,0.008922793028523413,8.401043204010313E-7,6.437885676606718E-31,1.1089456385274751E-76,3.7341428442695796E-144,2.427813425053212E-233,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7999705304901105,2.263459501473532,0.9851087474024179,4.898160853455724,4.600840779581276,1.6451456516248024,1.3218790134184644,0.1768930800742227,0.09298238286679976,8.754534742414409E-6,6.708773238618906E-30,1.1556068555037744E-75,3.8912647476555063E-143,2.529968774304422E-232,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.786896724998321,2.2635981379799484,3.2492295645200757,11.434437627757797,8.841467135915765,6.484218024002527,6.59280864494308,2.1474055285308378,1.1287740525342655,1.0627703178357195E-4,8.14421928392329E-29,1.4028668584370407E-74,4.723861169472314E-142,3.071294817479267E-231,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1789404785444781,2.2634742472016067,1.406759637845966,5.890735987768123,5.200318464415008,2.485329129120198,2.1085260141288145,0.3842341616920921,0.20197016050894584,1.9016019299478687E-5,1.457235194502405E-29,2.51013251000123E-75,8.452347008493424E-143,5.495430248984667E-232,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.5655020171140204,2.263693795937259,4.1724608975850925,14.89365929292746,11.242955828389501,8.672993280291609,9.431048075005538,3.51498366915865,1.8476365158954295,1.7395981444067246E-4,1.333088487341855E-28,2.2962859828044256E-74,7.732263488110776E-142,5.0272562902333546E-231,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7242645648984933,2.04323686248264,2.3984748337573842,7.423130171850984,6.508416274151346,3.791344941655116,3.5972538368020137,0.8676572084730739,0.4560795397976396,4.2941082529392406E-5,3.290660141135765E-29,5.668263455886831E-75,1.908669342109519E-142,1.2409522736582373E-231,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.006735583512504,1.8595203290831948,0.523146332538182,0.4571774176625493,0.4236386244037376,0.45182609064870966,0.5129622955800968,0.30991773605300876,4.389402245133881,5.75418321396463,12.095740323974695,0.32122406309943047,1.2747061222818152,1.4136526509313205,1.1828505009436874,0.15633515923513067,0.5135254930251374,0.4296839724185176,0.22420639525643138,0.20760526427080778,0.02729700463726122,2.7528383111101387,2.078064480017382,5.092317024630987,0.41481419816548254,0.45910866416450036,1.6359703354055888,1.4365772882490413,0.2940047889540042,0.4859482743469089,0.4267206067752509,0.30018172529658266,0.3061521537676536,0.09714834901248404,3.3665524126086344,3.253541543736542,7.311063372793769,0.3690033216832398,0.7034822280767203,1.9906397930473736,1.8411706179049954,0.5132101149793538,0.4581427823336948,0.42374267438246094,0.44458190446369417,0.5028823758750897,0.2981760790800886,4.345020525931723,5.6316313593752545,11.857622125660146,0.3228281850742338,1.2456403594188723,1.740454893501823,1.5558059483729942,0.3586336769999831,0.4761983921871544,0.4256773869501346,0.3397349534717885,0.3590626451831848,0.14490571521687107,3.6548945188748,3.8899602222576477,8.515966625372286,0.3528136687059334,0.8437033138718444,2.057642800884701,1.917545607609753,0.554565088277349,0.4542505022295608,0.4233222865165446,0.4751453504441883,0.5455015058141124,0.34855025995830424,4.529753496771804,6.15012462554211,12.867983396970955,0.3163591831191582,1.369197116216605,1.9974725112794205,1.8403290171945066,0.5140066299275432,0.45899829187625385,0.42288836047187023,0.44757316242467543,0.5024346728265188,0.29914443594006074,4.35180815840147,5.648662053537557,11.889961988104323,0.3228299785221861,1.249152271191255 +UMLCN0102,L,isopropylbenzene,CC(C)C1=CC=CC=C1,Aromatics,,C9H12,Creton (2011),Unknown,PubChem,,15,0,1.7806999999999995,3.170892489999998,44.00349999999999,23.84151599999998,6,6,21,9,12,0,9,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1310.5698569999986,1443.6621449999996,1823.0363869999985,1623.3220169999981,1039.238764999998,522.7128500000001,110.06553600000001,6.0963840000000005,0.0,4184.657048915133,5188.49151219019,7025.184096868059,7105.641585686747,5452.2560844735635,3409.632809062883,1321.981608566242,186.50246658558157,0.0,148.486212,153.276228,258.4914680000001,320.107716,316.42034000000007,250.6938320000002,144.281088,40.310784,0.0,30.43545485818798,38.46263172,54.502919319094026,58.49838110849005,48.45230132273507,32.735404057584,14.688322243037005,2.6676774290939997,0.0,3360.161029100989,2978.6197773648005,5413.5722356805945,6971.511965587892,7235.800253636237,5968.477003400185,3628.9098580184373,1109.505912145494,0.0,44.55555555555556,53.55555555555555,77.66666666666666,90.66666666666666,82.0,59.333333333333336,29.0,6.0,0.0,62.40808842857136,68.7458164285714,50.63989963888885,36.07382259999996,23.094194777777734,14.519801388888892,5.2412160000000005,1.016064,0.0,199.269383281673,247.07102439000906,195.14400269077942,157.9031463485944,121.16124632163475,94.71202247396897,62.95150516982104,31.083744430930263,0.0,7.070772,7.298868000000001,7.180318555555559,7.113504799999999,7.0315631111111125,6.9637175555555615,6.870528,6.718464,0.0,1.4493073741994276,1.8315538914285714,1.5139699810859453,1.2999640246331123,1.0767178071718904,0.9093167793773334,0.6994439163350955,0.44461290484899996,0.0,160.00766805242804,141.83903701737145,150.3770065466832,154.92248812417537,160.7955611919164,165.79102787222735,172.8052313342113,184.917652024249,0.0,2.121693121693122,2.55026455026455,2.157407407407407,2.0148148148148146,1.8222222222222222,1.6481481481481481,1.380952380952381,1.0,0.0,0.05117432684967268,-0.0041919728294456445,-0.009797429098858324,-0.010107486189163434,-0.0151839449767837,0.0013629036917391733,0.003606133142296129,0.00872463283537946,0.0,622.6251891428572,3.907985046680551E-13,4.941469755102389,-192.71732044897925,-210.01246459183676,-98.82939510204096,51.88543242857115,133.41968338775493,0.0,1157.798126258859,-2.8421709430404007E-14,9.188874017927446,-358.36608669917086,-390.527145761917,-183.77748035854916,96.48317718823839,248.09959848404134,0.0,0.12196799999999984,1.8769708010069053E-15,9.680000000015813E-4,-0.03775199999999912,-0.04114000000000051,-0.019360000000001376,0.010163999999998407,0.026135999999999163,0.0,5.175896322080571,1.0158540675320182E-14,0.04107854223874319,-1.6020631473106488,-1.7458380451462272,-0.8215708447747017,0.43132469350670566,1.1091206404458323,0.0,28.11555096916627,4.39648317751562E-14,0.22313929340611915,-8.70243244283716,-9.48341996975847,-4.462785868121664,2.3429625807638153,6.0247609219641785,0.0,4.507936507936506,-0.7619047619047622,0.8594104308390028,-0.7392290249433124,-1.580498866213155,-0.9024943310657626,-1.4432899320127035E-15,0.8707482993197277,0.0,0.0024368727071272705,-1.9961775378312592E-4,-2.721508083016201E-4,-2.2461080420363186E-4,-3.3742099948408225E-4,3.78584358816437E-5,1.717206258236252E-4,0.0014541054725632433,0.0,29.648818530612246,1.860945260324072E-14,0.13726304875284415,-4.282607121088428,-4.666943657596373,-2.745260975056693,2.470734877551007,22.236613897959156,0.0,55.133244107564714,-1.3534147347811431E-15,0.25524650049798464,-7.96369081553713,-8.678381016931489,-5.104930009959698,4.594437008963733,41.34993308067356,0.0,0.005807999999999992,8.937956195270978E-17,2.6888888888932814E-5,-8.389333333333138E-4,-9.142222222222336E-4,-5.37777777777816E-4,4.8399999999992416E-4,0.004355999999999861,0.0,0.24647125343240814,4.837400321581039E-16,0.0011410706177428663,-0.035601403273569976,-0.03879640100324949,-0.022821412354852823,0.020539271119366938,0.18485344007430538,0.0,1.338835760436489,2.093563417864581E-15,0.006198313705725532,-0.19338738761860358,-0.21074266599463268,-0.12396627411449065,0.11156964670303882,1.004126820327363,0.0,0.21466364323507173,-0.03628117913832201,0.023872511967750077,-0.016427311665406945,-0.035122197026959,-0.025069286974048963,-6.872809200060493E-17,0.14512471655328796,0.0,-0.08191554413133344,-0.11168035470447185,-0.09217174272037228,-0.1384647620276621,0.015535664120213101,0.07046762242499717,0.5967096550879872,0.0,6.276625351538564E-16,0.0046296296296299555,-0.14444444444444418,-0.15740740740740744,-0.09259259259259271,0.08333333333333288,0.749999999999999,0.0,-2.454806998370415E-17,0.004629629629629627,-0.14444444444444454,-0.15740740740740752,-0.09259259259259264,0.08333333333333345,0.7500000000000004,0.0,1.5389043035934902E-14,0.004629629629637199,-0.14444444444444127,-0.15740740740740958,-0.0925925925925993,0.0833333333333204,0.7499999999999771,0.0,1.9626630912183192E-15,0.004629629629630587,-0.1444444444444441,-0.15740740740740766,-0.09259259259259348,0.08333333333333168,0.749999999999997,0.0,1.5637193744974623E-15,0.004629629629630411,-0.14444444444444415,-0.1574074074074075,-0.09259259259259328,0.08333333333333189,0.7499999999999971,0.0,-0.1690140845070424,0.11120892018779353,-0.07652582159624435,-0.16361502347417878,-0.11678403755868588,-3.2016642858028297E-16,0.6760563380281691,0.0,1.1348205550568669,0.9905888331126725,1.0658441525941467,1.0631821936024028,0.9783979245830796,0.8460459670253745,0.28534903006352125,0.0,1.1111111111111116,1.0262345679012352,1.1234567901234576,1.0802469135802477,0.9722222222222228,0.7407407407407408,0.0,0.0,1.1111111111111116,1.0262345679012346,1.1234567901234565,1.0802469135802466,0.9722222222222222,0.740740740740741,0.0,0.0,1.1111111111111112,1.0262345679012346,1.1234567901234567,1.0802469135802468,0.9722222222222222,0.7407407407407409,0.0,0.0,1.1111111111111114,1.0262345679012348,1.1234567901234571,1.0802469135802473,0.9722222222222224,0.7407407407407409,0.0,0.0,1.1111111111111105,1.0262345679012344,1.1234567901234565,1.0802469135802466,0.972222222222222,0.7407407407407404,0.0,0.0,1.302816901408451,0.8215962441314557,1.0242566510172149,1.1392801251956186,1.054381846635368,0.8450704225352116,0.0,0.0,32.26852518077358,16.134262590386793,24.14735686116562,32.26852518077359,3.585391686752621,16.134263023010956,3.552713678800501E-15,0.21536972995616438,0.023929969995129377,-1.3818591482278106,70.3679781728744,7.818664241430489,3.8283644737682203,32.26852518077358,16.134262590386793,24.14735686116562,32.26852518077359,3.585391686752621,16.134263023010956,3.552713678800501E-15,0.21536972995616438,0.023929969995129377,-1.3818591482278106,70.3679781728744,7.818664241430489,3.8283644737682203,32.26852518077358,16.134262590386793,24.14735686116562,32.26852518077359,3.585391686752621,16.134263023010956,3.552713678800501E-15,0.21536972995616438,0.023929969995129377,-1.3818591482278106,70.3679781728744,7.818664241430489,3.8283644737682203,32.26852518077358,16.134262590386793,24.14735686116562,32.26852518077359,3.585391686752621,16.134263023010956,3.552713678800501E-15,0.21536972995616438,0.023929969995129377,-1.3818591482278106,70.3679781728744,7.818664241430489,3.8283644737682203,32.26852518077358,16.134262590386793,24.14735686116562,32.26852518077359,3.585391686752621,16.134263023010956,3.552713678800501E-15,0.21536972995616438,0.023929969995129377,-1.3818591482278106,70.3679781728744,7.818664241430489,3.8283644737682203,32.26852518077358,16.134262590386793,24.14735686116562,32.26852518077359,3.585391686752621,16.134263023010956,3.552713678800501E-15,0.21536972995616438,0.023929969995129377,-1.3818591482278106,70.3679781728744,7.818664241430489,3.8283644737682203,40.45136922979529,19.915830389112486,30.72690265084053,40.397665526091586,4.488629502899066,19.91583039877924,-0.16111111111110787,0.37001591718272087,0.04111287968696899,-0.8947883293707746,35.86776469058197,3.9853071878424413,3.2218550753765913,0,11.849999999999998,12.150097156670702,-0.209916930238396,0.09020361646756145,6.075343750000002,8.75838112497893,9.0,21.0,18.0,15.0,3.0,3.0,0.0,0.0,0.0,6.0,13.118483999999997,3.7949793508214933,3.215828339132033,2.6191819138397143,2.4708331460659547,2.3335527931030473,1.2606410772634369,0.9414285011440501,0.729217022085465,1.9947104528754094,1.6731062707899935,1.2496297225843553,1.0822503020169478,0.9693834143050488,0.46497885417464174,0.3105139719294342,0.23027025199624732,3.806876826044844,3.2452267224272244,2.645815031898684,2.5018355240964616,2.4054545878412887,1.3563658010470594,1.0533366226901486,0.8600039569941378,1.9614667077701118,1.6053577192242172,1.1345406859483513,1.0071675921888008,0.8918558877652899,0.31867133849003654,0.15015625861415727,0.06186948413704524,3.8612895583746787,3.378393960364631,2.771820215479791,2.704236987233519,2.643023500044383,1.7561721286448553,1.517793786895386,1.3831461715604076,1.8726338663129973,1.4055500074424963,0.7986202314843519,0.7603185604308977,0.6721102056099102,0.1692758755581595,0.3968430827144211,0.5234472199642589,3.815743304185001,3.267124209122347,2.6659250192640376,2.5249455974142228,2.4575399160416946,1.4260311457320132,1.134811365366185,0.9539282322119179,1.9411795011369595,1.5620248832435606,1.058262670532712,0.96027899124879,0.8431628201792218,0.2207059647729837,0.04190290236346238,0.052494884893005786,3.8892917547342845,3.4448586720515886,2.8389820851496497,2.8380785876458843,2.71447992797386,1.9347485863809115,1.7214642273785616,1.6049292159338273,1.8471405694399814,1.3441525803514263,0.7385642758080603,0.6313372621875606,0.6065264152961644,0.34113016917912525,0.5943111067077903,0.740644742966956,3.827769306737445,3.253330132971586,2.7366278109584274,2.5606848488408938,2.546278942188997,1.4384579968189564,1.2404576521670934,1.0577567939164891,1.9410321742252474,1.5382344257463172,0.958043648071351,0.876967229441034,0.7927251020094522,0.16856839203601687,0.07635235455080591,0.17203106553702568,0,0,0,5,1,2,0,1,0,0.0,0.0,0.0,0.10206207261596577,0.05892556509887897,0.0,0.0,0.0,0.032075014954979206,0.018518518518518517,0.5,0.0,0.16666666666666666,0.0,0.3849001794597505,0.0,0.09622504486493763,0.0,1.040440114519881,1.054737854124365,1.040440114519881,0.6368945341743197,0.5108973568170352,0.42459635611621316,6.69023444431199,4.304530452640311,3.6421070322115843,2.592638955843123,1.8008334588458517,1.2504436231534928,0.4511844635310912,0.23570226039551587,0.7433593827013323,0.47828116140447896,0.3311006392919622,0.21605324632026024,0.15006945490382098,0.10420363526279107,0.0751974105885152,0.05892556509887897,5.964101615137756,3.354059275497024,2.5653841409022107,1.4662391580785143,0.837939098258598,0.47882234186205597,0.16533709685695386,0.07407407407407407,0.6626779572375284,0.3726732528330027,0.23321674008201915,0.12218659650654286,0.0698282581882165,0.039901861821838,0.02755618280949231,0.018518518518518517,12.250966822715249,20.32702112163146,19.352941176470594,19.560000000000002,13.79132694610778,158.3976143712575,0.58337937251025,0.9679533867443553,0.9215686274509807,0.9314285714285715,0.656729854576561,7.542743541488453,2.8100000000000014,40.53100000000002,36.08872405969322,51.75280152778747,72.17744811938644,8.019716457709604,36.08872405969322,0.19041987956441692,0.021157764396046323,-1.4926713773383644,35.89962076688354,3.9888467518759487,3.222654058657691,69,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,3.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,5.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.934074074074076,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0368055555555555,0.0,0.9312500000000001,0.0,0.0,2.0368055555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.407407407407407,0.0,0.0,0.0,0.0,10.51972222222222,0.6585185185185185,0.0,0.0,0.0,1.414351851851852,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.414351851851852,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3909722222222222,0.0,0.28597222222222224,0.0,0.0,0.3909722222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2037037037037037,0.0,0.0,0.0,0.0,2.0475,0.6585185185185185,0.0,0.0,0.0,1.414351851851852,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1574074074074074,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4261111111111111,0.0,0.35930555555555554,0.0,0.0,0.4261111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2037037037037037,0.0,0.0,0.0,0.0,2.1574074074074074,0.6585185185185185,0.0,0.0,0.0,1.414351851851852,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.0,1.8888888888888888,0.4261111111111111,2.2037037037037037,0.13194444444444445,0.6585185185185185,5.612137685185186,0.6748148148148148,0.20370370370370372,1.8542592592592593,0.6748148148148148,0.20370370370370372,1.8542592592592593,4.5,0.5,0.0,0.0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,-0.0,0.0,0.71429,0.0,0.0,0.22222,0.22222,0.0,10.5,1.16667,4.5,0.5,6.0,0.66667,1.5,0.16667,0.0,0.0,5.44402,0.60489,9.97476,4.53073,0.50341,2.34821,0.26091,4.30452,1.95631,0.21737,0.10948,0.01216,0.19548,0.02172,0.2857142857142857,9.0,0,0,0,0,0,0,0.3333333333333333,0.9852281360342516,2.2556143083370057,2.684017280829845,3.141619208183979,3.368042422572716,3.141619208183979,20.689790856719284,47.36790047507712,56.364362897426744,65.97400337186356,70.72889087402703,65.97400337186356,0.22430713475415348,0.5135362705434917,0.6110708818334503,0.715253226438371,0.7668030559690182,0.715253226438371,3.407089286744509,2.136703114441755,1.7083001419489157,1.2506982145947818,1.0242750002060448,1.2506982145947818,0.2148824850539754,0.49195916171227705,0.5853956887123248,0.6852006330891128,0.7345845079524566,0.6852006330891128,6.751545309820625,15.841385766718766,18.81429786797295,21.76436413442986,21.99255911771674,19.275480545051895,33.825801216467084,27.338320101731746,23.254906617713036,19.18539607539187,18.609717883478435,22.063787034959052,7.111111111111111,3.239669421487603,2.0,3,6,3,2.45,1.1391000000000004,0.4999999999999999,2.682461519999418,2.8284271247461903,0.0,6.083643418932058,4.74510280626355,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.15099999999999997,0.14400000000000002,0.514,0.649,4.1899999999999995,11.0,12.0,12.0,12.0,6.0,4.0,0.0,0.0,0.0,75.0,2.5649493574615367,3.0204248861443626,3.457892725338701,3.8528036457681747,4.251170232498662,3.595598464110711,3.446011397451948,0.0,0.0,0.0,5.5348706047721645,3.365,0.4,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.1111111111111111,3.0,0.3333333333333333,0,3.0,5.0,0.6666666666666666,1.5,0.8888888888888893,0.4375,0.19111111111111112,0.125,0.0,0.0,0.0,0.0,0.0,0.16666666666666666,0.08080808080808084,0.04861111111111111,0.03822222222222223,0.0625,0.0,0.0,0.0,0.0,0.0,0.39680808080808083,20.0710972287546,29.89720831178864,40.14219445750919,4.460243828612132,20.071097236761165,0.030857048836119894,0.003428560981791099,-3.130551060601971,48.71948228937313,5.413275809930348,3.49747109739071,0.0,133.0544855304002,4.169925001442312,3.713572066704308,4.465908118654584,5.25227342804663,6.028278520230698,6.816735880594968,7.598399329323964,8.386400901166214,9.169830828637973,9.9572652582166,79.38866433157592,2.9444389791664403,0.0,4.143134726391533,0.0,5.556828061699537,0.0,7.055312843339752,0.0,8.590257762273243,8.83695515733143,120.093900384,5.7187571611428565,17.528614391257378,1.9476238212508197,0.0,0.0,0.0,88.0,9.0,3.4419999999999997,40.0,1.2346335114743343,2.165595805835139,2.9832793467396255,3.7289566130783567,4.441743034258214,5.453257175014907,6.221758101111731,0.0,0.0,0.0,94.43903682484539,119.62992299427937,113.15966289697505,96.02638747969898,70.40193767505538,28.28779332415934,6.32170442324799,0.0,0.0,0.0,327.3861274613783,449.1250405743204,489.1360450397473,478.36762635995376,447.7327491097376,341.07399669072794,193.395538726027,0.0,0.0,0.0,9.042027763408404,15.601963787666067,21.27155030066939,26.273581543975588,31.033350073547712,37.45617840135987,41.80065781902753,0.0,0.0,0.0,2.382529911853628,3.434617978408982,3.995250005956565,4.171856970588701,4.235013523789482,3.7965212772766828,2.766273942603085,0.0,0.0,0.0,173.21406756205147,322.01023255785407,458.44981128375275,595.8781709325831,728.4394239287774,943.1939187037228,1150.5128995204311,0.0,0.0,0.0,3.2308026835515045,4.832721107851146,6.137552208152953,6.955271634846978,7.585330913577631,7.504189084087053,6.221758101111731,0.0,0.0,0.0,0.49029277877574173,0.7139996899018739,0.840509935318128,0.8882452965231745,0.9137291542213958,0.8406217654098539,0.6371080295538413,0.0,0.0,0.0,256.9475906447616,124.61477014441273,10.476143214075247,79.50219088929448,-38.55707391062332,-4.713928235709283,177.44539975546712,163.17184405503605,15.19007144978453,0.7637026526609673,0.37038148628370854,0.031137316143612447,0.23629734733903257,-0.11459978881490372,-0.014010792975450721,86.4499607381321,41.92661219100428,3.5246960956951012,26.748494756181955,-12.97251909382167,-1.5860001250716071,0.12791710229307693,0.12730694951905921,1.593170819296612,1.7215617100257712,336.4497815340561,0.0,1.0,0.0,664.8026546986804,25.78376727126353,8.727655225120495,782.1086491481598,27.966205483550315,9.213451687744083,1129.495049600188,33.607961104479216,10.41425267743441,1.805695877385643,1.805695877385643,502.72282343199697,402.71107607164106,147.83838326220328,1.2483461551044206,3.400489185141977,2.7239954008249705,4.0306738121613215,3.7855247285438245,6.662156130461341,0.7599029482562827,3.755219094852445,3.9529472715743985,4.388315064989275,10.821615205879462,4.57428923437203,4.998524059687696,5.171874533502964,5.320057409153977,3.8379498994214183,5.215262055095133,2.610180677467839,1.5065701573267547,3.872349353095374E-5,9.56808295084283E-31,4.647062025807087E-78,4.436151829041763E-147,8.318272379058882E-238,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3152590358463251,3.771017970001991,0.33437075530153126,5.054835436583126,0.9747361325370771,1.353166964756987,1.0208061471963694,0.9173117299385212,0.897453671276661,0.3428378659728898,0.15213095004451305,0.01061089680323538,2.727327311760004E-7,6.73887905598175E-33,3.272963781611127E-80,3.1244180055160706E-149,5.858627251162529E-240,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0174280632248576,3.7831751825192157,1.1010927233472787,5.7218239125655295,1.3200261813382728,2.0313114546452815,1.6484964903469446,1.6509159239366984,1.3173290808373874,1.1692171392348414,0.5351950050181736,0.11057372573380117,2.8420853368949462E-6,7.022431546639221E-32,3.410680607272769E-79,3.2558844556421826E-148,6.105141298246707E-239,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.544627149084115,3.932973146683615,4.118635496979681,10.288108492843586,4.2161507253391886,4.752026769507523,4.84005085400626,4.992121078203581,3.5941356037379193,4.857476967652746,2.41771689146458,1.342326886578368,3.4501935576019685E-5,8.524989649813268E-31,4.140448601415604E-78,3.952531413228384E-147,7.411430931371468E-238,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4994451345887692,3.798937342653373,1.6454685227425372,6.331160000741963,1.672694368650123,2.5164184884119556,2.1445992862814105,2.203530861707944,1.6591078256384433,1.7864386212910877,0.8333939193413679,0.2401809078877873,6.173389130014989E-6,1.5253659703146123E-31,7.40845403674412E-79,7.072216110514763E-148,1.3261182709235079E-238,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.534946345046556,4.0369356970047345,5.411228759153198,13.001858958363275,6.056749742345526,5.937683333955575,6.488688787911678,6.600570706142805,4.813123721395332,6.607535577976732,3.370456835344799,2.1971909846279067,5.647457602006708E-5,1.3954149760319224E-30,6.777303226441239E-78,6.469710526131041E-147,1.2131418500535657E-237,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0529480381781924,3.007962276296114,2.1695942930246175,6.694594516078175,2.2513000586401977,3.21009423836985,2.8675002626288983,2.7673039924002967,2.1948554492884114,2.5760225864143007,1.2191674922757092,0.4222566876938199,1.085329749483479E-5,2.6817118305130426E-31,1.3024637511777648E-78,1.243350512638003E-147,2.331418902089168E-238,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.201391823724619,1.8178595516664249,0.4835411244415213,0.6460904025205781,0.2795506010245954,0.564426063200306,0.5739580778453817,0.3270109146572753,6.502792499832566,10.54809583540378,20.74395313909818,0.46913560378086727,1.465395055702963,3.2806074908433773,1.0319956260869385,0.20053249755704616,0.7269020413019464,0.22866488274231947,0.34430051600968553,0.18490921078913897,0.0558431142295032,4.513135614487362,4.25038965546875,9.442442595376624,0.5903530619529195,0.5850528410283277,3.6027288953107357,1.3070158564403185,0.29956115502995817,0.6915948035651012,0.25090019281435577,0.4151533125343856,0.2966991292681422,0.12502798390238673,5.209305906781013,6.179592601363665,12.799479202296522,0.5373922053476519,0.8368804257049145,4.173633806570275,1.7941811952997542,0.47501220945992584,0.6477953962867081,0.27847731072852905,0.5569989097972758,0.5591109083510232,0.31553406057492767,6.442827211329956,10.323040281502093,20.322880183997416,0.47169309443006224,1.4316438787232268,3.7632027095538136,1.44398459894642,0.3488852905432116,0.6773134516279901,0.25989304012964515,0.4529219924409692,0.3621688617436581,0.16980239685005352,5.556072599043445,7.250717812348172,14.702635437031422,0.515970177441985,0.9848932510346808,4.2903244808739895,1.8937166559998042,0.5108655508981035,0.6408340968680227,0.2828593054864583,0.5885529188155327,0.6228270522903496,0.36516411896388473,6.694906687771898,11.283872511240352,22.129387558673237,0.4612511453020342,1.5765440900697671,4.178567341928506,1.795652595161441,0.47463595690782023,0.6479548327041518,0.2784451420030542,0.5583154546438113,0.5600363323304107,0.315085661400506,6.4488558939977665,10.338834888209233,20.34900553745485,0.4719322490562276,1.4334374483747279 +UMLCN0103,L,2-phenyloctane,CCCCCCC(C)C1=CC=CC=C1,Aromatics,,C14H22,NREL (2014),Unknown,PubChem,,33,0,0.49609999999999843,0.24611520999999845,60.2679,39.30944599999997,6,6,36,14,22,0,14,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2042.0511019999974,2286.05363,2791.579072000001,2728.171671,2320.609548,1975.6101219999955,1599.284071999996,1352.0668629999968,1031.195932999999,6613.079001971078,8453.442184642026,11592.919655179747,12364.76072390163,11354.766995825608,10058.385088198069,8314.943736812955,6787.031437513897,5461.854445826764,253.37343200000018,262.155128,472.13900800000033,634.5559320000011,632.8881120000009,609.0927760000006,524.0329279999999,419.2405719999998,336.17656400000004,48.826083906678036,63.542574820000006,92.9413700433389,104.61244969031877,98.91745121516777,89.55038128456381,74.84393240001694,60.47900049092309,49.117208632131074,5843.309329793479,5143.817034943801,10034.583230509843,14371.754653469323,14482.534332649371,14203.003490001867,12322.80398775882,9861.523337820125,7822.348314020333,65.80555555555556,79.88888888888889,123.25000000000001,150.16666666666669,147.25,137.33333333333334,116.16666666666666,94.66666666666667,80.5,56.72364172222215,63.50148972222222,42.29665260606062,30.313018566666667,25.78455053333333,22.70816232183903,21.323787626666615,22.534447716666612,21.483248604166647,183.69663894364103,234.8178384622785,175.65029780575375,137.3862302655737,126.16407773139565,115.61362170342608,110.8659164908394,113.11719062523161,113.7886342880576,7.038150888888894,7.282086888888888,7.153621333333338,7.050621466666679,7.032090133333343,7.001066390804605,6.987105706666664,6.987342866666664,7.003678416666667,1.3562801085188343,1.765071522777778,1.4082025764142259,1.162360552114653,1.099082791279642,1.0293147274087795,0.9979190986668925,1.007983341515385,1.023275179836064,162.31414804981887,142.88380652621672,152.03913985620974,159.6861628163258,160.91704814054856,163.25291367818238,164.3040531701176,164.3587222970021,162.9655898754236,1.8279320987654322,2.2191358024691357,1.8674242424242427,1.6685185185185187,1.636111111111111,1.5785440613026822,1.5488888888888888,1.577777777777778,1.6770833333333333,0.07253730822898434,-0.004369224986524183,-0.023794713754390396,-0.005963288394186542,-0.011845003310678804,0.0021137510375693605,3.437832895807273E-4,0.007921046278051905,-0.004139049169010159,1035.7869658888899,-1.3358203432289883E-12,-197.29275540740827,-20.17766816666659,-195.05079227777742,-68.37987545370305,-12.330797212962345,62.77496762963001,-116.58208274074047,1926.0900927577943,-1.4210854715202004E-14,-366.874303382436,-37.52123557320284,-362.70527720763585,-127.15529833141227,-22.929643961401794,116.73273289441212,-216.78936108962148,0.20290355555555553,2.1874863032067537E-15,-0.038648296296294314,-0.00395266666666628,-0.03820911111111099,-0.013395148148148753,-0.0024155185185193526,0.012297185185184512,-0.022837629629629916,8.61051888148589,2.0095036745715333E-14,-1.6400988345687169,-0.16773738080815703,-1.6214613478122724,-0.5684433460721209,-0.1025061771605491,0.52184962918096,-0.9691493113360742,46.772475223396974,-4.383160501220118E-13,-8.909042899695038,-0.9111521147415411,-8.80780377583445,-3.0877932777349084,-0.5568151812307196,2.834695468084808,-5.264434440728579,5.74305555555556,0.020833333333332704,0.4340277777777781,0.8715277777777775,-1.184027777777776,-0.8211805555555532,-0.8906249999999984,0.375,-0.8750000000000002,0.002014925228582898,-1.2136736073678287E-4,-3.6052596597561205E-4,-6.625875993540601E-5,-1.3161114789643114E-4,2.4295988937578855E-5,4.583777194409697E-6,1.3201743796753177E-4,-8.623019102104498E-5,28.771860163580275,-3.710612064524968E-14,-2.989284172839519,-0.2241963129629621,-2.167231025308638,-0.7859755799276212,-0.1644106295061646,1.0462494604938335,-2.428793390432093,53.502502576605394,-3.9474596431116675E-16,-5.558701566400545,-0.41690261748003155,-4.0300586356403985,-1.4615551532346238,-0.3057285861520239,1.945545548240202,-4.516445022700448,0.005636209876543209,6.076350842240983E-17,-5.855802469135502E-4,-4.391851851851422E-5,-4.2454567901234437E-4,-1.5396722009366383E-4,-3.220691358025804E-5,2.0495308641974187E-4,-4.7578395061728993E-4,0.2391810800412747,5.5819546515875925E-16,-0.024849982341950256,-0.0018637486756461893,-0.018016237197914137,-0.0065338315640473665,-0.0013667490288073213,0.008697493819682666,-0.020190610652834878,1.2992354228721381,-1.217544583672255E-14,-0.13498549848022784,-0.010123912386017123,-0.09786448639816056,-0.03549187675557366,-0.007424202416409595,0.04724492446808014,-0.10967571751517873,0.15952932098765443,5.787037037036862E-4,0.006576178451178457,0.00968364197530864,-0.013155864197530844,-0.009438856960408658,-0.01187499999999998,0.00625,-0.01822916666666667,-0.060234175946142096,-0.17892771446867575,-0.03288397951223528,-0.06531812993824768,0.012058010189621916,0.0022749118078359064,0.06551977021022262,-0.042795727502846784,-1.2896670717251365E-15,-0.10389610389610425,-0.007792207792207755,-0.07532467532467511,-0.027317510076130477,-0.005714285714285423,0.03636363636363655,-0.08441558441558414,-7.378084113840577E-18,-0.10389610389610361,-0.007792207792207596,-0.07532467532467518,-0.027317510076130647,-0.005714285714285585,0.03636363636363647,-0.08441558441558428,1.0780916565100872E-14,-0.10389610389609857,-0.007792207792207031,-0.0753246753246751,-0.027317510076132003,-0.005714285714287688,0.03636363636363438,-0.08441558441558548,2.3337776761541227E-15,-0.10389610389610238,-0.007792207792207345,-0.07532467532467507,-0.02731751007613079,-0.00571428571428587,0.036363636363636154,-0.08441558441558442,-9.371239132171333E-15,-0.10389610389610827,-0.007792207792208149,-0.07532467532467495,-0.027317510076129235,-0.005714285714283695,0.0363636363636382,-0.08441558441558306,0.003627569528415849,0.04122238100472684,0.06070133010882703,-0.08246674727932267,-0.0591669098945084,-0.07443772672309534,0.03917775090689236,-0.11426844014510273,1.2515083526010309,1.1514732623883053,0.9447503360121572,0.9843490945857234,0.909490390039232,0.914731215664718,0.8752238984583491,1.070842863934013,1.2499999999999996,1.208677685950413,0.9999999999999998,1.0454545454545452,0.963949843260188,0.927272727272727,0.886363636363636,1.0227272727272723,1.2499999999999993,1.2086776859504123,0.9999999999999991,1.0454545454545445,0.9639498432601874,0.9272727272727266,0.8863636363636357,1.022727272727272,1.2499999999999982,1.2086776859504116,0.9999999999999986,1.045454545454544,0.9639498432601865,0.9272727272727259,0.8863636363636351,1.0227272727272712,1.2500000000000002,1.2086776859504125,0.9999999999999992,1.0454545454545445,0.9639498432601875,0.9272727272727271,0.8863636363636365,1.022727272727273,1.25,1.2086776859504123,0.999999999999999,1.0454545454545445,0.9639498432601872,0.9272727272727267,0.886363636363636,1.0227272727272727,1.2414349052801281,0.9079916455974489,0.8248018272202063,1.016659948945317,0.9729113677743951,0.9784764207980646,0.8929866989117284,1.2273276904473995,98.336573941307,49.168286970653504,77.43983943229091,98.33657394130701,7.024040995807644,49.168286970653504,7.105427357601002E-15,0.3492616314600795,0.024947259390005676,-1.4727075682068445,348.45347413565855,24.889533866832753,8.194906605326977,98.336573941307,49.168286970653504,77.43983943229091,98.33657394130701,7.024040995807644,49.168286970653504,7.105427357601002E-15,0.3492616314600795,0.024947259390005676,-1.4727075682068445,348.45347413565855,24.889533866832753,8.194906605326977,98.336573941307,49.168286970653504,77.43983943229091,98.33657394130701,7.024040995807644,49.168286970653504,7.105427357601002E-15,0.3492616314600795,0.024947259390005676,-1.4727075682068445,348.45347413565855,24.889533866832753,8.194906605326977,98.336573941307,49.168286970653504,77.43983943229091,98.33657394130701,7.024040995807644,49.168286970653504,7.105427357601002E-15,0.3492616314600795,0.024947259390005676,-1.4727075682068445,348.45347413565855,24.889533866832753,8.194906605326977,98.336573941307,49.168286970653504,77.43983943229091,98.33657394130701,7.024040995807644,49.168286970653504,7.105427357601002E-15,0.3492616314600795,0.024947259390005676,-1.4727075682068445,348.45347413565855,24.889533866832753,8.194906605326977,98.336573941307,49.168286970653504,77.43983943229091,98.33657394130701,7.024040995807644,49.168286970653504,7.105427357601002E-15,0.3492616314600795,0.024947259390005676,-1.4727075682068445,348.45347413565855,24.889533866832753,8.194906605326977,125.28419494848362,62.13337703901138,100.63077277993727,125.10086161515031,8.935775829653593,62.13337703901138,-0.3208333333332831,0.4263872162446539,0.030456229731760993,-1.1933703421422148,117.26685335867344,8.376203811333818,6.670232989929183,0,11.850000000000003,12.150172447925994,-0.20991255277643828,0.09028800793223705,5.156661102689233,9.50140413591338,14.0,36.0,33.0,30.0,8.0,3.0,0.0,0.0,0.0,6.0,24.050553999999995,3.8035004902857272,3.462681562809635,3.230685646266084,2.889582155317114,2.6191819138397157,2.4688759349138785,2.3952545727593733,1.9116961499427583,2.0096909608900737,1.8722373168474482,1.6930480581564924,1.491523179735773,1.216899232958002,1.082250302016948,1.0021206414762442,0.8832750450918635,3.815563238072952,3.4906672620620407,3.2613276489726584,2.9297437284905596,2.645815031898686,2.5036255455868743,2.4552815318135606,1.9881652576095612,1.9745435598136465,1.8137149323820079,1.6255993611519797,1.4053295801623147,1.1100582431446169,1.0071675921888008,0.9164155140161336,0.7652857681735363,3.870953258683552,3.613514441263746,3.397896057545786,3.1093849495077714,2.7718202154797904,2.72072266228172,2.6495603365165348,2.3082507640735526,1.8825592461877934,1.6379447302934833,1.4253929375737011,1.1454780397315631,0.7986202314843521,0.7702649050469372,0.6808150555672521,0.36841806572253355,3.824562633182942,3.5112815590163495,3.284020108642079,2.9595572299260886,2.6659250192640305,2.530497207677254,2.498009921412896,2.043758577472981,1.9533221133022765,1.776052085363395,1.5823948302933233,1.3497618371281086,1.039775261891964,0.9602789912487912,0.8636398465992199,0.6855675144683414,3.899647456519142,3.6730253538087667,3.4650374243799047,3.1973792082628183,2.840514291138903,2.838078587645887,2.726056987793049,2.4526785184110795,1.856509302049909,1.5824487339422428,1.363077298530736,1.0636008830876378,0.7385642758080608,0.6573491350280338,0.6097106374508324,0.23000006258584904,3.9042564105236197,3.461554011616535,3.2846267939717873,2.9872290730702478,2.813598534000858,2.6307110916946024,2.5504329146487255,2.083570125287758,1.9323346966331432,1.7721827411586086,1.5460622826521877,1.2892745796351521,0.959797648693949,0.807230313794763,0.7518727563999711,0.6029815689653995,0,0,0,5,1,2,5,1,0,0.0,0.0,0.0,0.10206207261596577,0.05892556509887897,0.0,0.0,0.0,0.032075014954979206,0.018518518518518517,0.4023689270621825,0.0,0.11785113019775793,0.0,0.30034919009686917,0.0,0.06804138174397717,0.0,1.0202200572599402,1.3249579113843053,1.5303300858899103,0.6554173654129483,0.738827601310943,0.7646535929817728,10.22576835024473,6.842535255101096,5.224709286922638,3.9675871054721092,2.8319941843272827,2.0212510313013192,1.0189720279862668,0.6955054345792692,0.7304120250174807,0.48875251822150684,0.3265443304326649,0.22042150585956163,0.1490523254909096,0.10106255156506597,0.06793146853241779,0.04967895961280494,9.499635521070495,5.892064077957808,4.161066479188201,2.8592983228581215,1.825538919125284,1.1556999448041914,0.6086334402824274,0.39471609855717826,0.6785453943621782,0.4208617198541291,0.26006665494926257,0.1588499068254512,0.096080995743436,0.057784997240209565,0.040575562685495156,0.028194007039798446,19.960105841644598,34.766205389657685,32.98039215686275,33.359999999999985,22.784099401197626,273.5388898203593,0.5544473844901278,0.9657279274904913,0.9161220043572986,0.9266666666666663,0.6328916500332674,7.598302495009981,4.760500000000004,63.61600000000006,73.51038911557583,109.16065408077543,147.0207782311517,10.501484159367978,73.51038911557583,0.1894143689318485,0.01352959778084632,-2.3293455298054764,117.35072005303358,8.382194289502399,6.671233881511153,214,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,8.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,5.0,0.0,0.0,5.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.335081490929705,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9189881092282337,0.0,2.090645181588093,0.0,0.0,1.9189881092282337,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.59911044973545,0.0,6.836126464474678,0.0,0.0,10.84526809334845,0.7296815948601661,0.0,0.0,0.0,1.4898133975812549,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4898133975812549,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3619330672083648,0.0,0.2171452052086522,0.0,0.0,0.3619330672083648,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2645082199546485,0.0,1.3330535084404131,0.0,0.0,2.090578310027715,0.7296815948601661,0.0,0.0,0.0,1.4898133975812549,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2405628779289493,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.40945028483921886,0.0,0.35930555555555554,0.0,0.0,0.40945028483921886,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3346022297808013,0.0,1.396501558956916,0.0,0.0,2.2405628779289493,0.7296815948601661,0.0,0.0,0.0,1.4898133975812549,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.5,1.75,0.40945028483921886,2.3346022297808013,0.09036670918367345,0.7296815948601661,9.132641187405518,0.6036517384731671,0.33460222978080123,2.8887570861678,0.6036517384731671,0.33460222978080123,2.8887570861678,7.0,0.5,0.0,0.0,0.45556,0.7,0.43333,0.43333,0.7,0.02222,0.02222,-0.0,0.0,0.71429,0.0,0.0,0.14286,0.14286,0.0,13.0,0.92857,7.0,0.5,6.0,0.42857,-1.0,-0.07143,0.0,0.0,12.67123,0.90509,18.09105,5.41982,0.38713,4.88621,0.34902,6.84252,1.95631,0.13974,0.07148,0.00511,0.15748,0.01125,0.16666666666666666,14.0,0,0,0,0,0,0,0.5714285714285714,0.9640787648082292,2.216708620204362,3.174134128332193,4.065079515030718,4.194385682587764,3.968227086752311,34.70683553309625,79.80151032735704,114.26882861995894,146.34286254110586,150.9978845731595,142.85617512308318,0.18647828828063642,0.4287699762735324,0.6139613490421367,0.7862937110106312,0.8113049379667227,0.7675598941271391,4.205846236634083,2.95321638123795,1.9957908731101193,1.1048454864115937,0.9755393188545485,1.2016979146900013,0.18240404890429696,0.4194020678868102,0.6005473182352178,0.7691145057084756,0.7935792790980172,0.750789991458119,6.796248324843849,16.633702599006412,21.78465577201999,24.975593968709532,23.654063200695038,24.26730727996946,54.06281140650123,38.90410719382673,28.544434403088786,20.983710075554242,22.734000288159173,22.390990465274413,12.071428571428571,7.3125,4.888888888888889,8,6,8,3.0,1.8436,0.14285714285714285,4.738102308387843,1.3212657272055228,0.0,13.691093909279614,7.804177196399494,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.15099999999999997,0.14400000000000002,0.514,0.649,6.684999999999999,16.0,18.0,19.0,20.0,15.0,14.0,10.0,8.0,6.0,154.0,2.8903717578961645,3.2386784521643803,3.6309854756950335,4.00960333376701,4.402900991384441,3.9831801997444742,4.056123349401903,3.702843994464309,3.6260062122954264,3.498399709618518,6.099618033788523,2.887581168831169,0.5,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.42857142857142855,8.0,0.5714285714285714,1,5.0,10.0,1.0,1.5,1.1111111111111116,0.5625,0.2711111111111112,0.20833333333333334,0.10122448979591836,0.043402777777777776,0.032753842277651796,0.025625000000000002,0.012345679012345678,0.10714285714285714,0.06944444444444448,0.0375,0.022592592592592598,0.020833333333333336,0.012653061224489795,0.006200396825396825,0.006550768455530359,0.008541666666666668,0.012345679012345678,0.3038047996976569,53.93294395412255,83.29695936832545,107.86588790824513,7.704706279160366,53.93294395412255,0.21542951615524428,0.015387822582517448,-2.14917009180041,92.3035181809869,6.593108441499064,6.335115160620593,0.0,219.53440865973357,4.807354922057604,4.110873864173311,4.859812404361672,5.631211781821365,6.405228458030842,7.1891677384203225,7.974188669286011,8.764521909518802,9.555418330069251,10.349422593198005,92.83984574887958,3.367295829986474,0.0,4.532599493153256,0.0,5.8998973535824915,0.0,7.360739903058278,0.0,8.871926251117628,9.126850061477157,190.172150704,5.282559741777778,27.525953526949497,1.9661395376392499,0.0,0.0,0.0,363.0,15.0,6.287000000000003,60.0,1.240897326137806,2.163477946821458,2.930147191501462,3.6836642406190845,4.6331384514309,5.692245468866362,6.800766074336691,7.94027958768699,8.939370921200343,10.220047613796106,89.34841511602093,100.51754923342136,99.2132469002093,113.08602768710882,123.67405929795581,141.13729717177793,175.1542668302258,190.58150796588504,168.30980410752576,131.4925695773684,316.0335673253878,404.33609545265773,431.13990881320166,517.456773422702,592.4894553492534,690.1199864007403,836.4635940748818,965.0123084733236,933.841298238101,911.839187976006,9.070079348099343,15.526126772971878,20.719684142044237,26.027361801165192,32.58225244020301,39.916681656889715,47.69018004178723,55.76820667865661,62.35681079122658,71.01066910185558,2.324009717200728,3.1907502494354483,3.576953431709749,4.373419718080311,5.128339835226334,6.04873781323588,7.279171138451857,8.513789070713035,8.591256907844459,8.92679972439465,175.20245545758354,325.4629989925025,463.63128232049155,583.8233505125789,745.6776150729348,924.7221232590908,1105.200793946987,1282.4386031977351,1475.8331605246476,1706.2827767352994,2.8278478617013407,4.153582777462994,5.020270071118126,6.2666790039396,7.60050463027793,9.101219850735522,11.118482675741934,13.718174408679031,14.813455809580997,16.31404650136588,0.479188495952516,0.6670092829282038,0.7554419345847958,0.9263649948928521,1.0911724592987555,1.2901952421953244,1.5510478300412622,1.8170132997769148,1.8475279442308168,1.9378206403749687,403.1300856064994,302.1406421803873,14.230480906928687,82.52126142939427,-61.84858886009879,-4.945394101843425,320.60882417710513,363.9892310404861,19.17587500877211,0.8300812672855713,0.6221348793212688,0.02930184584843113,0.1699187327144287,-0.12735183220963592,-0.010183013250198849,195.78066910549154,146.73500986919507,6.911052221418482,40.07656177228646,-30.036850492176146,-2.4017373071836228,0.08277332841814411,0.08709464506154503,1.0309180640263715,0.7724005764981651,485.65134703589365,0.0,1.0,0.0,975.2105004294298,31.228360514593618,9.916675973796579,1189.3868556967857,34.48748839357232,10.595164685883129,1754.8592057602532,41.891039683448454,12.06185470587239,2.9079561385647157,2.9079561385647157,2553.4261899598623,2438.236581351904,238.22227730762052,1.0472429990957195,10.718670893497418,10.235132536338604,6.138704006992264,6.901696073057126,12.711982483022002,0.8418635576618767,6.5442246292130335,8.695539549202392,5.830528049065647,34.121907524830874,12.670386967907147,8.682689339878015,8.71115781876587,15.854509126259233,19.160801940805214,8.272668049141739,6.484855584698412,14.811008765518967,7.865578452249842,10.103219227836425,5.201923368060351,5.6221020331345155,6.358095328214507,7.564661793335502,3.5842923024195437,0.8217520883725186,2.205527086152141,2.7938908060550873,1.0096828324403224,0.026957072302443597,4.6303933464587226E-4,1.776005025405568E-27,1.33709919454161E-72,1.973486390323323E-139,5.70089199801931E-228,0.0,0.549320943989538,8.513394022205912,0.4446775625921251,10.22074307510121,1.5993658673943656,1.411757640198595,1.6105075893733494,1.9014917680683898,5.181409259359293,0.7451560577262731,1.382517732258682,1.8451442790315131,1.3313319586337986,2.2718239656246286,1.225912066143549,0.4937801932368642,1.3310243901114736,1.2363293717512307,0.05572717407743001,0.2242518263733288,0.28693489581207143,0.1468232208159166,0.013747466365654853,1.904445516185268E-4,3.261223894454142E-6,1.2508548609488865E-29,9.417298955453565E-75,1.3899426009724738E-141,4.0151848477110214E-230,0.0,1.7730084349442952,8.525566077060722,1.464245615955775,12.295563136283706,2.441060815719087,2.385355017207988,2.920854208853801,3.8375162359322372,7.290070869388321,1.8070399805126327,2.12167989641356,3.5704397867781474,2.194766012174954,3.493558773108291,1.737318544263296,1.325192332419057,2.0553572324894116,2.169075255610901,0.3381184234935909,0.29236196649041296,0.6086186217413145,0.5317141926055468,0.09115465678697202,0.0019799961957267334,3.3984467397051325E-5,1.3034872065254444E-28,9.813551589148564E-74,1.4484273553511454E-140,4.18413218369385E-229,0.0,6.177220865421938,8.675541823941273,5.472579950725038,31.666762355586165,11.490937278101985,8.05695073785616,8.227270709953025,14.677650351780809,18.04149719209287,7.643926628758111,6.065538444919602,13.691317509413052,7.299164097473545,9.490480414589252,4.852320288710704,5.2319528184689,5.943574978513974,7.050242915454841,3.213374252794755,0.7661223546951381,2.0633291398592783,2.5768525481136093,0.9041786344614663,0.024018668001951765,4.125597108211488E-4,1.5823885032544717E-27,1.1913313098144483E-72,1.7583408440320523E-139,5.079392133984042E-228,0.0,2.613031582061538,8.541347123954047,2.187841052722737,14.552403109247969,3.439932088795267,3.205293381342404,3.861652157052876,5.437352912502103,8.958756542269217,2.6769209661246793,2.7188607041052264,5.028358220652142,2.927141576671518,4.444127053335589,2.177513366321979,1.959883762246158,2.6421995428022695,2.915971093337869,0.6619820843556843,0.3551073352427716,0.8502115958972657,0.8420807436691955,0.18166996547986125,0.004299379997429922,7.381880441616747E-5,2.8313483931729056E-28,2.1316345403435167E-73,3.1461777642856325E-140,9.088494214456543E-229,0.0,7.903074439828362,8.779627122822118,7.187902004641132,44.33847044944284,17.60698928273244,11.204595198160376,10.558625976157638,20.578249390092463,23.60426393263875,10.791266596880412,8.158838350360384,19.326790912549466,10.151682011735929,12.523274670237948,6.616922111014772,7.153164967968199,8.014103139977072,9.613525612485875,5.133514272503239,1.0493551550133002,2.760116017268855,3.6599190275952256,1.4508821165119072,0.03931245265920818,6.752993524160352E-4,2.5901364178083135E-27,1.9500335125535554E-72,2.8781444289315717E-139,8.314215200314445E-228,0.0,3.7577874747642976,7.014437086838186,3.2305390366861286,17.21615127755079,5.225674569957323,4.769989757655886,5.24879017000349,7.850601530985542,10.681168357623596,4.1012436709382545,3.641233604752879,7.1271740115586795,4.058369427664268,5.631808670302282,2.882025814892715,3.04127596246349,3.765449207245803,4.269815106778607,1.2898515041394845,0.5395873925863525,1.3732978365102813,1.4523070269250429,0.35787808086210054,0.00880478840466759,1.5119651743538684E-4,5.799200082956957E-28,4.366038186258318E-73,6.444037192892482E-140,1.861515754455285E-228,0.0,13.493178490605889,1.5712317698772587,0.7167225688017886,0.855019638740173,0.09956394048984463,0.5264371551649025,0.39216651840904765,0.39170190715861186,15.781132829284935,31.997913540441953,62.97421756266558,0.7825294581102595,1.310305580732562,12.905902361619153,0.9334670627148596,0.32342783591222773,0.911253767491604,0.06590979490577202,0.48101562862419683,0.13943947332026885,0.08075381153858202,14.16279726024624,16.523272072487604,34.582480402858025,0.866880651237406,0.7012089134830477,13.120894654439624,1.169209753243984,0.4684875132852473,0.8890343147029897,0.0792223106042239,0.49731472654411063,0.2184249090861177,0.168601363099016,14.758591920968854,22.035813479799906,43.98150888469297,0.8335514720544844,0.8843409987292443,13.476649378732667,1.5535522939063626,0.7057738937239493,0.8564228713941436,0.09872615061929915,0.5251194582268649,0.38352764283404556,0.37993697863449805,15.735975566362978,31.54460351445655,62.05714093306247,0.7846343070912154,1.2885840796954087,13.22403850888138,1.2813905293047099,0.5376178549361178,0.8790797903400479,0.08518158179049293,0.5052678479877418,0.2620435760261717,0.2215384150077745,15.043046893122208,24.74353534887906,48.89660157861727,0.8186196855100718,0.988849839021688,13.54567988414453,1.6272816161807349,0.7514561652942894,0.8506232484337143,0.10218782566184495,0.5306380045165664,0.42014177230931005,0.4301969309823592,15.924417665619554,33.444451319329886,65.93294359687809,0.7759348726505714,1.3809767078082356,13.522394005668234,1.558833922381732,0.7065246046973717,0.8565116521569336,0.09873691135887525,0.5286488989759688,0.38624393693515324,0.38045039296220035,15.787752532747337,31.734425088063496,62.415127390987045,0.7847674782354004,1.2953432288733224 +UMLCN0104,L,"1,4-dioctyltetralin",C1=C2C(=CC=C1)C(CCC2CCCCCCCC)CCCCCCCC,Aromatics,Cyclic,C26H44,Creton (2011),Unknown,UML,,26,0,-1.9310000000000045,3.7287610000000173,98.66499999999999,75.09889199999994,6,6,70,26,44,0,26,0,0,0,0,0.0,0.0,0.0,0.0,0.0,3795.573961999997,4427.843139000005,5655.800672000007,6095.037010000022,5924.531456000019,5522.049653000023,4996.464842000026,4725.033457000026,4524.212472000024,12379.124200443535,16483.36746753474,23874.259008582587,27286.624197884637,27493.705324798375,26639.130318877003,24575.02166038858,22817.636128348488,21686.50280566965,491.66583199999945,516.7697400000005,986.9838080000001,1415.0844880000018,1451.0243840000014,1482.9488840000017,1430.2601360000021,1311.232516000002,1221.473760000002,92.07436781335575,124.29624963999984,192.56400594667838,230.61464438367602,234.83844876912906,231.36651481822307,215.86991195761902,199.27789142852484,188.47791094973272,11433.029947406956,10160.839713797597,20987.90174729701,32267.106398465323,32989.99020734159,34025.35814664287,33159.665304766655,30392.139559402156,28173.513796266587,113.11111111111111,139.80555555555554,234.4444444444444,305.7777777777777,316.5,320.9166666666667,304.0,278.74999999999994,262.3333333333333,54.22248517142853,62.36398787323951,40.98406284057976,30.323567213930456,28.759861436893296,26.170851436019067,24.492474715686402,25.267558593583026,26.00122110344841,176.84463143490765,232.1601051765456,173.00187687378687,135.75434924320714,133.46458895533192,126.25180245913272,120.46579245288518,122.01944453662293,124.63507359580258,7.023797599999992,7.278447042253529,7.152056579710146,7.040221333333342,7.043807689320396,7.028193763033183,7.011079098039226,7.011938588235306,7.019964137931045,1.315348111619368,1.7506514033802796,1.3953913474396984,1.1473365392222687,1.1399924697530537,1.0965237669110097,1.058185842929505,1.0656571734145712,1.083206384768579,163.3289992486708,143.1104185041915,152.0862445456305,160.53286765405633,160.1455835307844,161.2576215480705,162.5473789449346,162.5248104780864,161.9167459555551,1.615873015873016,1.969092331768388,1.6988727858293073,1.5212824765063568,1.5364077669902914,1.5209320695102686,1.4901960784313726,1.4906417112299462,1.507662835249042,0.11306220947127853,-0.004702049070345077,-0.04282465990500202,0.004605703596928637,-0.01189549256197923,-0.011363959838339623,-1.7089989310439574E-4,0.006625796658231389,3.1355891974688653E-4,1978.564489942858,47.83342722939273,-476.16002560162747,278.6000647926544,-149.82536297469187,-249.6430520277538,-100.21300663346918,34.39262949551048,-33.99731191510145,3679.225156778159,88.94830049351458,-885.4399003675134,518.0687171307435,-278.6066602235685,-464.2219153856985,-186.3503650835679,63.95456316477517,-63.21945324334286,0.3875872000000005,0.00937023999997249,-0.09327648000002756,0.05457583999999325,-0.029349760000007975,-0.04890336000000297,-0.01963103999999781,0.00673728000000157,-0.00665984000000063,16.44784831238936,0.39764028887098113,-3.9583283301244534,2.316008211419855,-1.2455014006784442,-2.0752879539008857,-0.8330728366015578,0.2859066539815749,-0.2826203706025088,89.3449730797951,2.1599883601693195,-21.50170231261157,12.580593362234472,-6.765583376072781,-11.272997102875324,-4.525264870275155,1.5530494821064456,-1.5351983386338528,7.45396825396824,0.4387528344671159,-0.3648072562358305,1.4313832199546477,-0.7756462585033969,-1.5072789115646228,-1.1420408163265259,-0.4516326530612195,-0.8617687074829897,0.0016151744210182648,-6.622604324429686E-5,-3.1032362250001463E-4,2.2913948243426053E-5,-5.774510952417101E-5,-5.3857629565590635E-5,-8.377445740411556E-7,3.543206769107695E-5,1.8020627571660146E-6,28.265206999183686,0.6737102426675032,-3.4504349681277353,1.386069974092808,-0.7273075872557858,-1.183142426671819,-0.49124022859543715,0.18391780478882608,-0.19538685008678994,52.56035938254513,1.2527929646973885,-6.41623116208343,2.5774563041330523,-1.3524595156483907,-2.2001038643871964,-0.9134821817821956,0.34200301157633783,-0.36333019105369463,0.005536960000000007,1.3197521126721815E-4,-6.759165217393302E-4,2.715215920397674E-4,-1.4247456310683483E-4,-2.3176947867299986E-4,-9.623058823528338E-5,3.602823529412604E-5,-3.827494252873925E-5,0.2349692616055623,0.0056005674488870585,-0.028683538624090243,0.011522428912536593,-0.006046123304264292,-0.009835487933179553,-0.0040836903754978325,0.001528912588136764,-0.0016242550034626941,1.276356758282787,0.030422371269990416,-0.15580943704790992,0.06259001672753468,-0.032842637747926125,-0.05342652655391149,-0.02218267093272135,0.008305077444419495,-0.00882297895766582,0.10648526077097485,0.006179617386860787,-0.0026435308422886267,0.007121309552013172,-0.0037652730995310526,-0.007143501950543236,-0.005598239295718264,-0.0024151478773327246,-0.0049526937211666075,-0.04100240963607234,-0.1921300996733067,0.014186671077282331,-0.03575162457548479,-0.03334477618314239,-5.186712736033864E-4,0.021936991590505304,0.0011157078354608468,0.023835319609969964,-0.12207357859531634,0.04903802664996716,-0.025731550003394308,-0.04185861531833072,-0.01737967914438498,0.006506862121835433,-0.006912627602282651,0.023835319609961245,-0.1220735785953208,0.04903802664996626,-0.025731550003395366,-0.0418586153183312,-0.017379679144384916,0.0065068621218353825,-0.006912627602282979,0.023835319609897484,-0.12207357859535363,0.04903802664996082,-0.02573155000340162,-0.041858615318333445,-0.017379679144383063,0.006506862121836892,-0.0069126276022834195,0.02383531960996927,-0.12207357859531713,0.04903802664996683,-0.02573155000339485,-0.04185861531833116,-0.01737967914438542,0.006506862121834964,-0.006912627602283124,0.023835319609950383,-0.12207357859532647,0.049038026649965344,-0.025731550003396133,-0.04185861531833125,-0.017379679144384333,0.006506862121835875,-0.0069126276022828245,0.05803260791323706,-0.02482532158111769,0.06687601176400798,-0.03535957063230829,-0.06708441993589381,-0.05257290309650253,-0.022680583771374226,-0.04651060330141563,1.3455065824563124,1.255697560901458,0.907384092966595,0.9904554684332798,1.02752842819686,1.007418126937227,0.9721311435620269,0.9913297822945478,1.3082340195016258,1.2849650349650354,0.9662352572800337,1.0452593522981877,1.0404997845756143,0.9934183463595233,0.970840656669534,0.99484567156981,1.3082340195016222,1.284965034965032,0.9662352572800311,1.0452593522981848,1.0404997845756114,0.9934183463595205,0.9708406566695313,0.9948456715698073,1.3082340195016213,1.2849650349650341,0.9662352572800321,1.0452593522981855,1.0404997845756119,0.9934183463595214,0.9708406566695328,0.9948456715698087,1.308234019501625,1.2849650349650357,0.9662352572800342,1.0452593522981886,1.0404997845756154,0.9934183463595239,0.9708406566695342,0.99484567156981,1.308234019501623,1.2849650349650321,0.9662352572800315,1.045259352298186,1.0404997845756128,0.9934183463595211,0.9708406566695317,0.9948456715698074,1.2566958394318233,1.0210817717206153,0.8187342673345385,0.9985775954747708,1.0724060812065552,1.0247535449443852,0.9817833359145133,1.0374016037126261,328.5842128363215,164.29210641816059,243.02860516400312,328.5842128363213,12.637854339858512,164.29210641816059,-3.694822225952521E-13,1.2212453270876722E-15,4.697097411875662E-17,-89.2811537718847,572.1334170048576,22.005131423263755,16.508367747804524,328.5842128363215,164.29210641816059,243.02860516400312,328.5842128363213,12.637854339858512,164.29210641816059,-3.694822225952521E-13,1.2212453270876722E-15,4.697097411875662E-17,-89.2811537718847,572.1334170048576,22.005131423263755,16.508367747804524,328.5842128363215,164.29210641816059,243.02860516400312,328.5842128363213,12.637854339858512,164.29210641816059,-3.694822225952521E-13,1.2212453270876722E-15,4.697097411875662E-17,-89.2811537718847,572.1334170048576,22.005131423263755,16.508367747804524,328.5842128363215,164.29210641816059,243.02860516400312,328.5842128363213,12.637854339858512,164.29210641816059,-3.694822225952521E-13,1.2212453270876722E-15,4.697097411875662E-17,-89.2811537718847,572.1334170048576,22.005131423263755,16.508367747804524,328.5842128363215,164.29210641816059,243.02860516400312,328.5842128363213,12.637854339858512,164.29210641816059,-3.694822225952521E-13,1.2212453270876722E-15,4.697097411875662E-17,-89.2811537718847,572.1334170048576,22.005131423263755,16.508367747804524,328.5842128363215,164.29210641816059,243.02860516400312,328.5842128363213,12.637854339858512,164.29210641816059,-3.694822225952521E-13,1.2212453270876722E-15,4.697097411875662E-17,-89.2811537718847,572.1334170048576,22.005131423263755,16.508367747804524,378.956276212919,188.77176414197285,281.1381407765462,378.61899810641023,14.562269157938854,188.77176414197285,-0.43846153846152447,1.6136190830184916E-6,6.206227242378813E-8,-34.67628066243605,673.0172179015022,25.88527761159624,16.930604374121266,0,11.890000000000002,12.110548268978476,-0.1706933959281174,0.05014757327052931,5.129202494009037,10.807547439837503,27.0,71.0,68.0,65.0,21.0,3.0,0.0,0.0,0.0,6.0,48.10110799999999,3.902770958215218,3.5041129185819377,3.4932277141453896,3.3574754596871603,3.3062291407459488,3.152766206611754,3.010018060322535,2.7978305784531403,2.0888835601182265,1.918796953499628,1.9005971221854168,1.7653465182304322,1.7483818497545305,1.6422880513605933,1.537685013602424,1.4330606435441149,3.913478386824503,3.532324627187606,3.520616941271874,3.383199700903021,3.336776383418723,3.1870330317275015,3.044446236920264,2.8423732911749013,2.057090154683348,1.8586359594791093,1.8412010253602533,1.6980810801172141,1.6893740506894048,1.574515641394788,1.4601079043331364,1.344981202437533,3.9631031941942516,3.6559884081313574,3.6415038052385538,3.4970414111355574,3.472385092138414,3.336533974439925,3.199292665949397,3.0367063836747348,1.973583100012767,1.6805881844902713,1.6656719106179358,1.5199531037828153,1.4996196977471654,1.3660132526234567,1.2306687135266394,1.0749556374559894,3.9214914046289957,3.553089673543552,3.5408285488960485,3.4021827147288835,3.359364924655278,3.2122367929432807,3.070030118134996,2.875151212655739,2.037814205764836,1.8202308631652278,1.8032865819918866,1.6551536890957124,1.6522195189050268,1.5304394545815494,1.410488937540198,1.2878770756069282,3.98905258275102,3.7159448681158276,3.700457248762523,3.5530692776898922,3.538871418206473,3.408157113479888,3.275982805908887,3.1295830167981036,1.9500962735204856,1.6247216487491611,1.6108342564335452,1.4680607062331015,1.4378753505385025,1.2989097809408965,1.1596393645980854,0.9878444570751049,4.0104736722777865,3.553748992530811,3.5439294099311724,3.4518105325784973,3.3727574027115454,3.2522866442646383,3.1097104067685075,2.9278509978537857,2.0109146100104,1.8079831371567037,1.7732977414358417,1.6226198609887654,1.5549475072648111,1.4431326816728305,1.3526647251559443,1.2052097668501487,0,0,0,4,2,2,16,2,0,0.0,0.0,0.0,0.1388888888888889,0.25335988512861485,0.0,0.0,0.0,0.06944444444444445,0.139113102486327,0.6054988603092419,0.0,0.1916383190435099,0.0,0.4553418012614796,0.0,0.1111111111111111,0.0,1.8264920700996006,3.2690759253434076,4.823558520977338,1.2436299194182647,2.042464324792329,2.8068990197974584,18.451536700489456,12.863703305156275,9.822560026501668,7.851040968414171,6.305651272625325,5.08236571197048,3.5288970034058638,2.6036119869273473,0.7096744884803636,0.4764334557465287,0.3069550008281771,0.19627602421035428,0.1261130254525065,0.08197364051565291,0.05513901567821662,0.03719445695610496,17.777810114122516,11.951907262607799,8.712998409745387,6.551532690260187,4.909654520370495,3.6912927170765824,2.518581383360578,1.7672205231558973,0.6837619274662506,0.442663231948437,0.27228120030454334,0.16378831725650467,0.0981930904074099,0.05953697930768681,0.03935283411500903,0.025246007473655675,37.920211683289246,67.53241077931548,63.96078431372538,64.72000000000008,43.56819880239527,533.5923904191616,0.541717309761275,0.9647487254187926,0.9137254901960769,0.9245714285714298,0.6224028400342182,7.622748434559451,9.148800000000001,117.1440000000001,266.05199700461696,381.16335965229075,532.1039940092339,20.46553823112438,266.05199700461696,2.1094237467877974E-15,8.113168256876143E-17,-87.86014013532771,421.425516876862,16.208673726033155,15.713471935625055,716,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,20.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,16.0,0.0,0.0,4.0,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.876533158666996,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2833381432765383,0.0,5.032367374850517,0.0,0.0,1.2833381432765383,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.612269593605232,0.0,22.820124383269267,0.0,0.0,9.453771720503322,1.6910728644585058,0.0,0.0,0.0,3.422761438163675,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7113807190818375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.29640056967843764,0.0,0.21158374356800932,0.0,0.0,0.29640056967843764,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.306134796802616,0.0,1.3571355707162092,0.0,0.0,2.2779858976801615,0.8455364322292529,0.0,0.0,0.0,1.7113807190818375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4488999625714993,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3452685019598315,0.0,0.35930555555555554,0.0,0.0,0.3452685019598315,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.306134796802616,0.0,1.4472847970206602,0.0,0.0,2.4488999625714993,0.8455364322292529,0.0,0.0,0.0,1.7113807190818375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,42.0,1.6153846153846154,0.35930555555555554,2.4488999625714993,-0.007852759063527504,0.8455364322292529,17.221736416631337,0.4877969011040803,0.44889996257149944,4.31093883787779,0.4877969011040803,0.44889996257149944,4.31093883787779,13.0,0.5,0.0,0.0,0.44857,0.7,0.43684,0.43684,0.7,0.01173,0.01173,0.0,0.0,0.71429,0.0,0.0,0.07692,0.15385,0.0,19.5,0.75,13.5,0.51923,6.0,0.23077,-7.5,-0.28846,0.0,0.0,34.99693,1.34604,42.36796,7.37103,0.2835,10.93512,0.42058,12.86368,1.92856,0.07418,0.05032,0.00194,0.22232,0.00855,0.14285714285714285,79.0,0,0,0,0,0,0,0.7692307692307693,0.9517626756348312,1.859609819866474,2.7188679318992444,3.5655957039963786,3.990017217489901,3.996383461104873,66.62338729443819,130.17268739065318,190.3207552329471,249.5916992797465,279.3012052242931,279.7468422773411,0.15528124137906435,0.30339761024664896,0.44358661924774623,0.5817312880052954,0.6509761755916852,0.6520148360022703,5.177520341310136,4.269673197078493,3.410415085045723,2.5636873129485886,2.139265799455066,2.132899555840094,0.15327640286391422,0.299480438996439,0.43785946552862987,0.5742205463258555,0.6425714120949445,0.6435966623448637,6.792902879027634,14.650422577827293,19.407747264123433,22.413919109093857,23.46978601839767,22.457035096156567,101.31743895817374,77.05906663482156,59.85725550822796,47.503404076436134,42.42206159144204,46.037575465642284,22.290809327846365,14.0625,8.28,8,6,8,4.32,3.4257999999999935,0.05263157894736841,5.021907893758158,0.8480250703610075,0.0,36.24506675491163,20.844439197766782,0.0,3.965406456500188,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.15099999999999997,0.152,0.601,0.85,12.777999999999999,32.0,40.0,50.0,62.0,64.0,70.0,74.0,79.0,72.0,596.0,3.4339872044851463,3.7495040759303713,4.1705337005796475,4.613882126590113,5.048653361283777,5.086824432453803,5.31857944710293,5.455855160764252,5.623340381683417,5.521460917862246,7.338786601719106,2.5802747483221475,0.47368421052631576,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,3.0,0.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,0.5185185185185185,16.0,0.5925925925925926,2,10.0,19.0,0.9,2.0,1.7777777777777786,1.0,0.7466666666666668,0.4166666666666667,0.2824489795918368,0.20486111111111113,0.15570672713529857,0.12250000000000003,0.09896949290888685,0.07407407407407407,0.05555555555555558,0.029411764705882353,0.023333333333333338,0.014367816091954023,0.010863422291993722,0.008194444444444445,0.006487780297304107,0.00532608695652174,0.0049484746454443425,0.25097710293612147,171.15149410589385,252.68857586726293,342.3029882117877,13.165499546607217,171.15149410589385,2.220446049250313E-16,8.540177112501205E-18,-93.7134988117046,445.86453870104293,17.14863610388627,15.860039470601992,0.0,414.7297654693364,5.700439718141093,4.77912349311153,5.572154032177765,6.38856140554563,7.217443431696533,8.059276223305648,8.90910013492555,9.766922993079902,10.629948612126007,11.497964099830067,125.82049442579863,4.007333185232471,0.0,5.209486152841421,0.0,6.621405651764134,0.0,8.15908865466791,0.0,9.779906490764773,10.006991345550789,356.34430140800123,5.0906328772571605,52.46997671336392,2.0180760274370737,0.0,0.0,0.0,2101.0,34.0,12.428000000000006,118.0,1.2543351721872391,2.1759661956413248,2.9206790581130635,3.671136590434558,4.614222801226581,5.428613170307665,6.341549413650749,7.161373946448982,8.009116073099955,8.780872789542958,89.89005848466597,98.33087973817844,100.1196901556131,122.34384553188019,134.50404988852085,148.5036254908699,176.5634583180846,205.14111726205132,229.7533402645877,237.61787159996007,318.460784163431,401.0980752180884,427.6198412379497,541.0226515548896,622.4507908266072,700.6342764958519,820.7253391763601,948.4581697102262,1061.3445619610095,1139.676196784875,9.166937578677263,15.612517831828328,20.625204836502814,25.98731493785196,32.52264043825825,38.175397939476916,44.57412481859605,50.40659355583781,56.37364274087371,61.819404451343594,2.343777308507923,3.182261447565945,3.535255133553914,4.506372293092135,5.305051432778282,6.036280747814774,7.045276915222134,8.10395270221437,9.066006572446167,9.844774578959617,177.18459860470006,327.4354328187149,464.4475614826344,578.48394980588,737.3536650168819,874.0041989110591,1022.9057349174459,1149.801802173966,1285.9265414652375,1407.8589390918416,2.542664973804933,3.789473957393288,4.561162014378697,5.869731334216923,7.197466220014572,8.309867072818628,9.684589167479244,11.101417839568466,12.54486445561532,14.071716450149726,0.48333832308771585,0.6658165811576368,0.7464350442391678,0.9520983488457324,1.1256663598610086,1.2834980849676505,1.497408482088707,1.7207094096678905,1.924903892468081,2.0935726408637723,724.0546398452904,946.9611227582221,22.425893501372492,146.8023050123523,-191.99666424027873,-8.661631325573241,577.252334832938,1138.957786998501,31.08752482694573,0.8314277610355975,1.0873899879308195,0.02575152398312494,0.16857223896440285,-0.22046866063824538,-0.00994610122445443,630.5480115656701,824.6676702641882,19.529745100308105,127.84380684111687,-167.20162844314768,-7.543041793671964,0.04744096658269677,0.04991080587382119,1.0243035602076456,1.4644624929374113,870.8569448576424,0.0,1.0,0.0,1769.2538716540519,42.06249958875544,12.09474505246402,2196.3327084271305,46.86504783340278,12.998683709777579,3788.190365611195,61.54827670707925,15.588725095422353,2.0249053100517154,2.0249053100517154,9149.074156229846,6848.318339918296,3016.8519115017343,1.335959238766783,3.0326560350373986,2.2700213801708706,10.060143356780834,9.830833271345568,17.75879449316964,0.8064383763817969,13.589230629068817,21.826932323831088,10.332834069887843,89.24853144249732,34.59181573416179,18.15616431170801,36.55897062032008,42.77301276467837,56.0716686798712,24.027537271939014,29.514863376717596,56.44926777909692,31.399252009543698,47.0609441423754,29.495886098662037,31.96797510672986,23.503678076902094,40.047893529810835,30.790885519422783,29.21736740606331,19.846697695917765,30.883825277915367,24.777129057148898,15.992237910672284,12.820581978715023,13.070658536604817,9.951752895740722,6.347841863063644,6.130766179101064,5.918605070037545,1.0642669181679445,20.685696396384316,0.689599523191381,26.724379419888212,3.0750653119287183,4.067934772780408,6.645367066327697,5.111869283678633,17.000914971643873,3.9611427546210085,3.4854778845126244,7.256315365207352,4.558558077979432,8.855728010123023,5.983834170223351,3.6730749371421987,4.743214603064751,6.3049156556970445,6.69589989227065,3.0947691652257285,3.101605952421693,5.676379390933762,1.8875964173340671,4.80966518551236,0.7929527771915268,2.2441966840286214,1.6528540845124609,0.34438504001104003,1.151662496533287,1.3658478284790052,3.485777701388753,20.91425083419959,2.3428313936101657,32.14187992920461,5.555415569615098,6.144029782753773,11.390269733090845,10.52975409816066,22.418915605170447,6.543794459214799,7.346465870909939,14.837343387780626,8.098341250645916,14.350711207150953,9.159247554670118,7.366180620838175,7.458116871254404,10.755049096417217,10.069258250309254,6.488600883146375,5.984996536034418,9.091356136695032,4.936002203540877,5.988163001670568,2.3458681200031424,3.654212568053441,2.467929933305628,1.2358200887248796,1.6828160535048766,1.8604089282774714,12.77466694935133,21.755511467550438,9.630989740350918,82.82242576249207,31.263981170386813,17.010816406653426,34.24616860351424,39.66453029291683,52.77514197994463,22.263721939354806,27.407635345764984,52.5673370202955,29.070138947725695,43.907140559900675,27.482013923601297,29.49906679480733,21.960899833604874,37.11985604176211,28.769258499806707,26.932437525144696,18.632437386177024,28.728485175786503,22.80138895095692,14.917053513455734,11.76509766925503,12.124893665808528,9.132772313981334,5.862156940657698,5.654305699271636,5.486087071418608,5.188183322613806,21.072451597157542,3.5713001447170694,38.04171026447586,8.431793253913353,7.806625570743114,15.051635888769718,14.922840769293783,26.897480831622406,8.76604206585426,10.42809078850236,20.77199615002157,11.104013147742787,18.80680646609362,11.821238128975937,10.519715294139138,9.652732747471804,14.533678629872192,12.843688238561498,9.393895457901037,8.123099352533927,11.949422301626162,7.510787675739465,7.124996045012101,3.679771795243165,4.859649887505587,3.288419432533611,1.9469333653726946,2.191498577234518,2.3289969962950097,16.65946022081697,22.093137432566976,13.058038988969319,115.99182127230682,48.50106934298665,22.718057198543093,45.66895692820351,55.19395034218463,69.3043776292934,31.166018341989815,37.90027952676719,71.8105538029523,40.801748378654366,59.66332567627314,37.60462857206249,41.94571564386717,29.663562414986693,51.868194118860444,38.8966260729625,38.456021418387095,24.55730883690093,39.559139354307945,32.74466079521362,20.416653425930775,17.090949175892405,16.893698875867614,13.337104691344782,8.28027359984092,8.089772978240344,7.694654550621939,8.182979792258275,19.408661559358432,5.663733961592722,50.07930057575235,15.167859732185804,10.878399968993454,21.570234773265803,23.727491286284693,35.529033024734524,13.668590440812455,16.284449460079816,31.79683401278696,17.20121337526897,27.532312211976098,16.93965830290214,17.195736903512273,14.620033156725007,22.090820154305298,18.63801432300534,15.983050318254932,12.89698601242618,19.159477765922887,12.940684940313828,11.49744353624316,6.474468259190282,7.166852459456567,5.542431271907072,3.3684229835573625,3.1628741437175627,3.6819217100508457,21.709970610817873,7.595026420019114,1.5498553796963337,0.7036160900062014,0.2461533867984506,0.45273004285097906,0.37720530277532077,0.4158718218544883,30.85485241053332,210.30630766722805,496.7134045228519,0.5554241350093021,1.2458071674807882,18.213064464992698,7.66939210743813,1.0047435751840859,0.6773879156252841,0.28524324084813496,0.3191810373294434,0.38430083924924313,0.17588283417578307,26.887200147614912,165.68836481120786,332.9212952615701,0.5160818734379261,0.8793647107544696,19.530353946109983,7.6413726726128175,1.2105012852752186,0.6881191290610019,0.269230896829506,0.3667462444597667,0.38163995195526096,0.2547464050012967,28.382227903998018,182.13012292537155,391.1660046442696,0.5321786935915028,1.0031326014163244,21.615808577265877,7.597027466585726,1.535219615992657,0.7029975754042642,0.2470734263860184,0.4488278301015691,0.3773970600810976,0.40813182677044774,30.74805565984426,209.0640104072465,491.91952391561733,0.5544963631063963,1.2343567169531144,20.14679823364302,7.628260662826786,1.3066063372044805,0.6927663210397803,0.26230480962946573,0.390143792406732,0.380387744702483,0.2964718160333808,29.081665233674286,189.97609641796234,419.863593754731,0.5391494815596706,1.0670033531425958,22.007499332238808,7.588704579224839,1.596087343606617,0.7055428904621273,0.24328782124946674,0.4651714155925443,0.3765994989361007,0.4407865050431548,31.192291255070263,214.246537441736,511.9988397056726,0.5583143356931909,1.2825574195717997,21.64294855650312,7.64806159956199,1.537596844375099,0.7020410800979128,0.2480832688759755,0.4499145908503248,0.3824852687392932,0.40924589628878955,30.82860700044021,210.5643685408118,495.90615913704653,0.5530616201468692,1.2416457558784075 +UMLCN0105,L,"1,2-dimethylbenzene",CC1=CC=CC=C1C,Aromatics,,C8H10,NREL (2014),CFR,PubChem,,8,0,2.2962000000000002,5.272534440000001,39.5198,20.74792999999999,6,6,18,8,10,0,8,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1164.2736079999988,1275.1838479999997,1618.2368259999987,1423.517095999999,611.4410419999999,119.21011200000001,6.0963840000000005,0.0,0.0,3698.972658303943,4535.501377699822,6027.984113266137,6005.592007438835,4078.855784579589,1601.7353084446138,186.50246658558157,0.0,0.0,127.50876799999996,131.500448,215.36279200000013,237.06742400000016,253.88717600000024,204.74726400000011,40.310784,0.0,0.0,26.757329048489986,33.4466431,46.146297769094026,48.14301353454703,38.086855298792045,18.689838386677998,2.6676774290939997,0.0,0.0,2863.5313689624904,2545.580325849001,4521.165141026095,4937.803854476549,5714.116168909393,5293.168726236679,1109.505912145494,0.0,0.0,39.55555555555556,48.111111111111114,67.33333333333334,74.33333333333336,67.33333333333333,38.0,6.0,0.0,0.0,64.68186711111105,70.84354711111109,53.94122753333329,43.13688169696967,16.984473388888887,3.9736704000000005,1.016064,0.0,0.0,205.4984810168857,251.97229876110123,200.9328037755379,181.9876365890556,113.30154957165524,53.39117694815379,31.083744430930263,0.0,0.0,7.083820444444442,7.305580444444445,7.1787597333333375,7.183861333333338,7.052421555555562,6.824908800000004,6.718464,0.0,0.0,1.486518280471666,1.858146838888889,1.5382099256364676,1.4588791980165767,1.0579682027442234,0.6229946128892666,0.44461290484899996,0.0,0.0,159.08507605347168,141.42112921383338,150.70550470086982,149.6304198326227,158.72544913637205,176.4389575412226,184.917652024249,0.0,0.0,2.197530864197531,2.67283950617284,2.244444444444445,2.252525252525253,1.8703703703703702,1.2666666666666666,1.0,0.0,0.0,0.04201137407456916,0.0011310595658357513,-0.004656229821811145,-0.01741767839531225,-0.026637868298708983,0.016286618829476504,0.010288411083235544,0.0,0.0,538.0711511111111,2.984279490192421E-13,98.64637770370392,-286.97128059259234,-511.16759355555564,286.97128059259205,143.4856402962961,0.0,0.0,1000.5662819521006,-7.105427357601002E-14,183.43715169121833,-533.6353503744538,-950.5379678544946,533.6353503744535,266.8176751872268,0.0,0.0,0.10540444444444434,1.5230872119076366E-15,0.019324148148149242,-0.05621570370370231,-0.10013422222222243,0.05621570370370081,0.028107851851851006,0.0,0.0,4.47299682155111,4.163336342344337E-15,0.8200494172843729,-2.3855983048272558,-4.249346980473554,2.3855983048272513,1.1927991524136274,0.0,0.0,24.297389726439967,4.39648317751562E-14,4.454521449847357,-12.958607854101288,-23.082520240118,12.958607854101228,6.479303927050635,0.0,0.0,3.9012345679012355,-0.6790123456790123,1.0288065843621406,-1.041152263374485,-3.9753086419753116,1.7201646090534999,0.9958847736625518,0.0,0.0,0.002333965226364953,6.283664254643063E-5,-1.5520766072703817E-4,-5.278084362215833E-4,-7.399407860752495E-4,5.428872943158834E-4,0.0017147351805392574,0.0,0.0,29.892841728395062,1.6579330501069005E-14,3.288212590123464,-8.696099411896737,-14.199099820987657,9.565709353086401,23.91427338271602,0.0,0.0,55.587015664005584,-3.947459643111668E-15,6.114571723040611,-16.170768193165266,-26.403832440402628,17.787845012481785,44.46961253120447,0.0,0.0,0.005855802469135796,8.461595621709093E-17,6.441382716049748E-4,-0.001703506172839464,-0.002781506172839512,0.0018738567901233603,0.004684641975308501,0.0,0.0,0.2484998234195061,2.312964634635743E-16,0.02733498057614576,-0.07229085772203805,-0.11803741612426538,0.07951994349424171,0.19879985873560457,0.0,0.0,1.3498549848022203,2.4424906541753444E-15,0.14848404832824524,-0.39268508648791783,-0.6411811177810556,0.4319535951367076,1.0798839878417725,0.0,0.0,0.21673525377229086,-0.03772290809327846,0.03429355281207135,-0.03155006858710561,-0.11042524005486977,0.057338820301783326,0.1659807956104253,0.0,0.0,0.026922698691743536,-0.06649956005075841,-0.2261423736135184,-0.31703162400053164,0.2326029917598242,0.7346875442569815,0.0,0.0,5.54625440154135E-16,0.11000000000000024,-0.2909090909090906,-0.4750000000000001,0.31999999999999934,0.7999999999999989,0.0,0.0,-7.101405959571558E-17,0.10999999999999995,-0.290909090909091,-0.47499999999999953,0.31999999999999995,0.8,0.0,0.0,1.4449933491280932E-14,0.11000000000000634,-0.290909090909084,-0.4750000000000015,0.31999999999998385,0.7999999999999768,0.0,0.0,9.307711381070485E-16,0.11000000000000036,-0.29090909090909056,-0.4749999999999999,0.319999999999999,0.7999999999999987,0.0,0.0,1.8094467047756366E-15,0.11000000000000075,-0.2909090909090903,-0.4750000000000007,0.31999999999999784,0.7999999999999973,0.0,0.0,-0.17405063291139236,0.1582278481012659,-0.14556962025316444,-0.5094936708860762,0.2645569620253167,0.7658227848101267,0.0,0.0,0.9777676838557627,1.0076739123450378,1.2804113001344173,1.2462787990987272,0.5548869595386833,0.23395764368244668,0.0,0.0,1.0625000000000002,0.8925000000000004,1.2750000000000008,1.381250000000001,0.51,0.0,0.0,0.0,1.0625,0.8925,1.2749999999999995,1.3812499999999994,0.5100000000000001,0.0,0.0,0.0,1.0624999999999996,0.8924999999999995,1.2749999999999992,1.3812499999999992,0.5099999999999999,0.0,0.0,0.0,1.0625000000000004,0.8925000000000005,1.2750000000000008,1.3812500000000008,0.5100000000000002,0.0,0.0,0.0,1.0625,0.8925000000000003,1.2750000000000008,1.3812500000000005,0.51,0.0,0.0,0.0,1.2642405063291133,0.7424050632911391,1.1004027617951666,1.50632911392405,0.581012658227848,0.0,0.0,0.0,23.11197489609401,11.555987448047002,15.810122962767679,23.11197489609401,2.8889968620117514,11.556026398845274,-8.881784197001252E-15,0.14219422168322793,0.01777427771040349,-1.5604491180621363,32.759973607997466,4.094996700999683,2.7913659626942895,23.11197489609401,11.555987448047002,15.810122962767679,23.11197489609401,2.8889968620117514,11.556026398845274,-8.881784197001252E-15,0.14219422168322793,0.01777427771040349,-1.5604491180621363,32.759973607997466,4.094996700999683,2.7913659626942895,23.11197489609401,11.555987448047002,15.810122962767679,23.11197489609401,2.8889968620117514,11.556026398845274,-8.881784197001252E-15,0.14219422168322793,0.01777427771040349,-1.5604491180621363,32.759973607997466,4.094996700999683,2.7913659626942895,23.11197489609401,11.555987448047002,15.810122962767679,23.11197489609401,2.8889968620117514,11.556026398845274,-8.881784197001252E-15,0.14219422168322793,0.01777427771040349,-1.5604491180621363,32.759973607997466,4.094996700999683,2.7913659626942895,23.11197489609401,11.555987448047002,15.810122962767679,23.11197489609401,2.8889968620117514,11.556026398845274,-8.881784197001252E-15,0.14219422168322793,0.01777427771040349,-1.5604491180621363,32.759973607997466,4.094996700999683,2.7913659626942895,23.11197489609401,11.555987448047002,15.810122962767679,23.11197489609401,2.8889968620117514,11.556026398845274,-8.881784197001252E-15,0.14219422168322793,0.01777427771040349,-1.5604491180621363,32.759973607997466,4.094996700999683,2.7913659626942895,25.803713019110457,12.639478967523475,17.280246246413547,25.778713019110466,3.2223391273888082,12.639492460055706,-0.04999999999998295,0.17046828202475417,0.02130853525309427,-1.415364822995574,180.8229575121777,22.602869689022214,4.158014733829995,0,11.89,12.110114161591724,-0.15357268137228874,0.06667931136618918,6.0765174378031555,8.135706971070546,8.0,18.0,15.0,12.0,2.0,3.0,0.0,0.0,0.0,6.0,10.932069999999998,3.804025760047419,2.9079509595425885,2.822245189601921,2.2840746999625945,1.8490870836821696,0.7620888063176692,0.7573430173563646,0.08392307051869147,1.9908368881831977,1.4140707959948287,1.4106846427473332,0.9675055213994688,0.6424566514466794,0.2403173378563031,0.01740525577077189,0.0839230705186909,3.8149611544624413,2.9370070143576728,2.856180768008813,2.3376903387162153,1.9117155782751547,0.8848735175361084,0.8717219246294154,0.27091390189293735,1.9594413587321622,1.331448036670496,1.3222662615725103,0.8780499889251584,0.5388972701582946,0.0728579727650248,0.11429400419545015,0.2709139018929371,3.865369425243898,3.0755783141404853,3.0201596445423373,2.5581792608047866,2.1685645723515217,1.3997188172500097,1.3184369332826986,0.9439184268026226,1.8759524829259195,1.1050891346663578,1.0552753975251246,0.5993066284245773,0.21632518960042516,0.5078778041221447,0.6015746222202601,0.9439184268026217,3.8231318745667746,2.9590277020444766,2.8820371616738427,2.376388318514921,1.9568808951019898,0.9768433481551152,0.9511793372838352,0.39927724550898264,1.9403034119724891,1.2812748188778358,1.2636527792966294,0.8200348105162294,0.4718331654924986,0.04078926012590332,0.20648456174270705,0.3992772455089814,3.8915320946037673,3.148440861866444,3.1068187815116186,2.6570569763895517,2.2832984230952165,1.6192688259784205,1.5078253203230516,1.2076448229620882,1.8522032198257383,1.0389293289532853,0.9765789692501884,0.5046666136736596,0.10634413570916319,0.7225730947048077,0.7877768267116826,1.207644822962087,3.816796134902467,2.9904273297211956,2.91847714513126,2.4433806119418464,1.9926658738373768,1.0743473700953117,1.0102122341813748,0.5217391304347827,1.941170267206708,1.2206155240383545,1.201263501110974,0.7464737858939035,0.426378529818386,0.15234284844998888,0.2676868424162022,0.521739130434782,0,0,0,4,2,2,0,0,0,0.0,0.0,0.0,0.08333333333333333,0.16666666666666666,0.0,0.0,0.0,0.027777777777777776,0.05555555555555555,0.47140452079103173,0.0,0.16666666666666666,0.0,0.2886751345948129,0.0,0.08333333333333333,0.0,1.1380711874576983,1.040440114519881,1.1380711874576983,0.6220084679281462,0.45534180126147955,0.4146723119520976,5.983127663125442,3.804530452640311,3.2390248187615978,2.5403364137778537,1.5016612791830408,1.0243773949903288,0.3333333333333333,0.08333333333333333,0.7478909578906803,0.4755663065800389,0.3239024818761598,0.2309396739798049,0.15016612791830408,0.10243773949903287,0.08333333333333333,0.08333333333333333,5.309401076758503,2.8273502691896257,2.084258916577523,1.4255696687691326,0.6626779572375283,0.3740028226427154,0.1111111111111111,0.027777777777777776,0.6636751345948129,0.3534187836487032,0.2084258916577523,0.1295972426153757,0.06626779572375283,0.03740028226427154,0.027777777777777776,0.027777777777777776,10.709139018929374,17.439184268026217,16.62745098039216,16.800000000000008,11.992772455089817,135.36935928143714,0.5949521677182985,0.968843570445901,0.9237472766884535,0.9333333333333338,0.6662651363938787,7.520519960079842,1.74264,33.721999999999994,31.153782979194702,42.7235873442273,62.30756595838941,7.788445744798676,31.15378297919476,3.3306690738754696E-16,4.163336342344337E-17,-28.510550624807195,41.24325189388095,5.155406486735119,2.9755900071575536,54,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.092592592592592,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6619444444444444,0.0,0.0,0.0,0.0,1.6619444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.2407407407407405,0.0,0.0,0.0,0.0,8.356481481481481,0.0,0.0,0.0,0.0,2.7361111111111116,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3680555555555558,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4065972222222222,0.0,0.0,0.0,0.0,0.4065972222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1203703703703702,0.0,0.0,0.0,0.0,2.0578703703703702,0.0,0.0,0.0,0.0,1.3680555555555558,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1203703703703702,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.424375,0.0,0.0,0.0,0.0,0.424375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1203703703703702,0.0,0.0,0.0,0.0,2.1203703703703702,0.0,0.0,0.0,0.0,1.3680555555555558,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.333333333333334,1.9166666666666667,0.424375,2.1203703703703702,0.1597222222222222,1.3680555555555558,4.877810185185185,0.29861111111111105,0.12037037037037035,1.1944444444444442,0.29861111111111105,0.12037037037037035,1.1944444444444442,4.0,0.5,0.0,0.0,0.47778,0.7,0.43333,0.43333,0.7,0.04444,0.04444,-0.0,0.0,0.71429,0.0,0.0,0.25,0.25,0.0,10.0,1.25,4.0,0.5,6.0,0.75,2.0,0.25,0.0,0.0,4.20915,0.52614,8.47399,4.26484,0.53311,1.70742,0.21343,3.80452,2.0971,0.26214,0.10948,0.01369,0.19548,0.02444,0.3333333333333333,8.0,0,0,0,0,0,0,0.25,0.9910760598382221,2.197159723424149,2.4193819456463714,2.6416041678685933,2.6416041678685933,2.6416041678685938,17.839369077087998,39.548875021634686,43.548875021634686,47.54887502163468,47.54887502163468,47.548875021634686,0.2376723944664291,0.5269062927184988,0.5801979519558613,0.6334896111932238,0.6334896111932238,0.6334896111932239,3.17884894160409,1.972765278018163,1.7505430557959407,1.5283208335737188,1.5283208335737188,1.5283208335737184,0.2256385330209643,0.5002279006589044,0.5508212892582274,0.6014146778575502,0.6014146778575502,0.6014146778575502,6.714395846294912,15.258033798476411,17.92470046514308,18.1486615833653,18.1486615833653,18.1486615833653,29.669493956074607,25.124813903151757,22.00501389930559,21.4850472319979,21.4850472319979,21.485047231997896,6.125,2.52,1.487603305785124,0,6,0,2.34,0.9982000000000003,0.33333333333333337,2.746356191876157,2.8284271247461903,0.0,3.965406456500188,4.298279727294167,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.129,0.112,0.529,0.672,3.896,10.0,11.0,10.0,10.0,4.0,1.0,0.0,0.0,0.0,62.0,2.4849066497880004,3.0204248861443626,3.457892725338701,3.803880846808443,4.2018901887852635,3.446011397451948,2.1510351948668447,0.0,0.0,0.0,5.384064924421284,3.4984879032258065,0.25,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.25,0,3.0,4.0,0.3333333333333333,1.5,1.1111111111111116,0.375,0.2222222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.1875,0.11111111111111116,0.046875,0.1111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.45659722222222227,15.30662386291808,21.306623862918077,30.613247725836157,3.8266559657295196,15.306624736322831,1.1102230246251565E-16,1.3877787807814457E-17,-29.38944045574168,30.834448182166064,3.854306022770758,2.7429060099648415,0.0,115.7585009045335,4.0,3.6109179126442243,4.3694478524670215,5.153291594497779,5.932245187448011,6.717804695023691,7.501634457883413,8.287276755814599,9.072341873818893,9.857914707241372,76.50287503683901,2.833213344056216,0.0,4.04305126783455,0.0,5.476463551931511,0.0,7.00033446027523,0.0,8.555836815008442,8.796490207333578,106.07825032,5.893236128888889,15.533409733352133,1.9416762166690167,0.0,0.0,0.0,60.0,8.0,2.865999999999999,36.0,1.2313502078311678,2.1538840455291686,3.0466471147559573,3.8225806718731072,4.468708192254151,5.750098393086919,0.0,0.0,0.0,0.0,96.27497539226407,127.02249382600156,137.526725434588,68.86344329464758,18.823672191149406,5.842467973673467,0.0,0.0,0.0,0.0,331.3918959574948,461.865193548619,571.8388639620593,448.4080983803457,246.6335432896286,178.73458890341655,0.0,0.0,0.0,0.0,9.024660361087578,15.520542323633105,21.92590696956807,27.009480051233243,30.536909351692717,38.631829050412314,0.0,0.0,0.0,0.0,2.4026519414770102,3.4848818047076917,4.5506661619487865,4.149925191857787,2.848304721052578,2.556567949717942,0.0,0.0,0.0,0.0,172.33764669907274,320.51948993795065,453.0536841848611,602.8301580683784,785.3968383209968,1063.2946937580402,0.0,0.0,0.0,0.0,3.392950518009089,5.025400424829707,7.009036360566484,7.297529308746334,5.756522434698749,5.750098393086919,0.0,0.0,0.0,0.0,0.49408199190503205,0.7228364509779794,0.952155061010121,0.8903122618593263,0.634798958647202,0.5888100754521005,0.0,0.0,0.0,0.0,233.85217225189623,96.8519556590274,9.952212092150848,103.15157678674284,-42.72114235632192,-5.322744102098865,130.7005954651534,139.57309801534933,15.274956194249713,0.6939156401642403,0.28739133002322437,0.029531458093689577,0.30608435983575966,-0.12676755815978694,-0.015794317176835285,78.80905876971863,32.63947215881627,3.3539327862825137,34.762468096379386,-14.397185137293885,-1.7937847175806219,0.14976918723691354,0.1484786971887029,3.8665057878758864,2.568200138366102,337.00374903863906,0.0,1.0,0.0,604.8962864595127,24.594639384620233,8.457207237365088,702.6158964518112,26.506902807604874,8.890086577698176,994.7851316316169,31.540214514673437,9.982586801089163,1.2726377857297972,1.208406764844872,365.91723572649505,225.2800828565267,147.37961660878074,1.6242769049385313,2.4828211943163248,1.5285701512885108,3.690318968775584,3.7855247285438245,5.7800497589078,0.5268820502808359,3.115758499940702,2.872001084044999,5.182997632119715,7.5844389727308394,0.230992689700147,4.432855542236722,4.835012058546789,5.207544078200961,0.32170487529332853,1.319846808616447,0.017083217274031684,3.5160629034908404E-23,2.3687463011601903E-65,3.368075591078991E-129,9.379522963394483E-215,5.04E-322,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2615936283650715,2.8718790646800243,0.2680613338542646,3.709885671044246,0.039745245515192366,0.3063698190404589,0.4482597132207201,0.3423436501086896,0.0023140749971365085,0.012800903877216436,1.2031849607513798E-4,2.476391852117213E-25,1.6683273880288142E-67,2.3721631779630664E-131,6.606074715055764E-217,4.9E-324,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8441895272895021,2.871887515818865,0.9746763749211586,4.1799041365057885,0.07296921381300957,0.8539667267853382,1.340751044168799,1.1669079409196765,0.023735361601816288,0.10587460640507215,0.0012538114951510186,2.5805912407215252E-24,1.738525767043753E-66,2.4719769261798875E-130,6.884039184125836E-216,3.5E-323,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.9410285716875313,2.871987792655462,4.7771715084962905,7.2337317918755755,0.21722795937614717,4.0759775390384565,4.565418734227054,4.85008078118016,0.2866664965663517,1.1783732239710414,0.015220839032734631,3.132748745422553E-23,2.1105103085091125E-65,3.000894714359459E-129,8.356986095744528E-215,4.5E-322,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2441233476449052,2.871898203273443,1.5478205131795055,4.597827192325242,0.09750263801609788,1.3173793869206973,1.9542908189008132,1.7829845836937988,0.05143756802082966,0.22134851209509954,0.0027234461100698634,5.605389010552088E-24,3.776310279354428E-66,5.3694642056030805E-130,1.495305299886235E-215,7.9E-323,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.762704777474946,2.8720569058988663,6.804737464724308,9.011831666258619,0.28429251758096535,5.872590721618058,5.8343750550666424,6.598762910031435,0.46901884622162565,1.9134398167083209,0.024914266886546167,5.127847299619421E-23,3.4545938617390307E-65,4.9120217125471234E-129,1.3679152739790009E-214,7.36E-322,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6963401757505707,2.687981827044503,2.0939770486668574,5.021848525979241,0.11495974999318298,1.8493055571285235,2.6480111780054254,2.4988208216867602,0.08774278867591018,0.3716884555946598,0.004650251961173086,9.571135313850302E-24,6.448005054197871E-66,9.168296505016536E-130,2.553216080772789E-215,1.4E-322,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1893337310669505,2.3125230212255277,0.18582462198099803,0.5607440925739875,0.40658448830933697,0.5678871079451313,0.5764908193872821,0.22224236643411935,5.687681374273476,8.39778812665178,15.456001844174,0.45099287132498667,1.3666202937665328,2.1741901125938536,1.3575035561759958,0.031759329690525195,0.6101357625688438,0.38095172204109856,0.2639246910296234,0.19870253992450126,0.006491786238759339,3.5634529984603747,3.0636350332412468,6.720824766217221,0.48663122691491356,0.469119017192884,2.5224660121601423,1.6851681874213402,0.08461738466826085,0.5876789751598525,0.3926070395325852,0.355244006265967,0.30618112956682475,0.04608294873467755,4.292251584249743,4.6068184791531595,9.258759905594179,0.47042902203865644,0.7075080845674694,3.1578331412335774,2.282890186252907,0.18104403421863124,0.5617153713517927,0.4060805151425712,0.5567253781678252,0.5618159578800008,0.21095450440986657,5.621767361705116,8.193996788221892,15.120908110123604,0.45169382974154604,1.3294958404576926,2.6986828698985637,1.850949731178786,0.11136140637217434,0.5789929928219906,0.3971148060307457,0.40660784487600343,0.36937201911700945,0.07981605567462188,4.660994007449524,5.501779817508209,10.719038118360025,0.4641616982791046,0.8557959196676348,3.2906456913590585,2.407827094214351,0.20119984743537178,0.5577675061066665,0.40812893256865007,0.6045364500431757,0.6249690863490859,0.2605406781864476,5.899672633008781,9.069837708186045,16.563678270025164,0.4488446580129748,1.4900462145787092,3.160475876369041,2.2826856459620752,0.18071771115296809,0.5619743499383565,0.40589165435330915,0.55765799083805,0.5617178157952595,0.2101947226681584,5.623879233484084,8.198048609148605,15.12569280366864,0.45179900643749854,1.329570529301468 +UMLCN0106,L,gamma-terpinene,CC1=CCC(=CC1)C(C)C,Olefins,Cyclic,C10H16,Marquardt (2015),IQT,PubChem,,20.3,0,2.401700000000001,5.768162890000004,47.4761,28.268687999999976,0,0,26,10,16,0,10,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1458.8982339999982,1636.3546179999994,2177.1803889999983,2057.1353149999977,1351.055669999997,734.7105390000005,427.88827400000025,148.33324800000003,18.289152,4732.508928388178,6070.9548794215925,8601.319704373971,9329.514785631643,7678.186443348932,4882.687320481955,2553.907366960594,1470.0906297390145,559.5073997567447,182.90058400000007,189.2872720000001,342.7529799999999,420.6003320000002,483.67471199999994,414.35569199999986,207.18970400000012,105.566976,120.93235199999997,35.002806477583995,45.70570896000001,67.87150539333898,77.43871282848994,70.16340640122502,48.4261264897151,24.716275387281975,14.696370434547001,8.003032287282004,4226.625993287985,3717.904324306401,7357.361946546341,9062.571250322693,11202.36425023643,10221.196938802517,5113.331925745482,2392.2235286275472,3328.517736436482,47.833333333333336,57.888888888888886,90.66666666666664,111.69444444444441,111.55555555555554,84.0,42.0,27.0,18.0,56.11147053846147,62.936716076923055,45.3579247708333,34.86670025423725,19.580516956521695,12.245175650000009,14.262942466666676,9.888883200000002,1.016064,182.01957416877607,233.49826459313817,179.19416050779105,158.12736924799395,111.27806439636133,81.37812200803258,85.13024556535314,98.00604198260096,31.08374443093026,7.034637846153848,7.280279692307696,7.140687083333332,7.128819186440682,7.009778434782608,6.905928199999997,6.906323466666671,7.0377984,6.718463999999998,1.3462617875993845,1.7579118830769234,1.4139896956945621,1.3125205564150837,1.0168609623365945,0.8071021081619184,0.8238758462427325,0.9797580289698,0.4446129048490002,162.56253820338404,142.9963201656308,153.2783738863821,153.60290254784226,162.35310507589028,170.35328231337527,170.44439752484942,159.4815685751698,184.917652024249,1.8397435897435899,2.2264957264957266,1.8888888888888884,1.8931261770244816,1.6167471819645731,1.4,1.4,1.8,1.0,0.05083156379237158,-8.63482167471054E-4,-0.005451502922309337,-0.02635723440243315,-0.015240275811002473,0.01452029282715557,0.009394435439505206,-0.013044945544042345,0.011626930684411802,745.0215938461533,-1.4210854715202004E-13,105.30593682248505,-405.46367511242613,-366.0634946686394,133.96061350887607,127.5133112544379,-290.12860144970404,322.3651127218936,1385.3994673182933,5.258016244624741E-13,195.82088624595156,-753.9770177905327,-680.7106998073548,249.10548114280743,237.11644729101528,-539.5065233306816,599.4516925896456,0.14594461538461523,2.1909557501587074E-15,0.02062871005917337,-0.07942755029585592,-0.07170932544378722,0.026241964497038917,0.024978982248519438,-0.05683420118343184,0.06314911242603356,6.1933802144553844,1.532107773982716E-14,0.875410472620148,-3.370628078251669,-3.0430935476795273,1.113617403945325,1.0600208443971628,-2.411845179667722,2.679827977408567,33.64253962122456,-1.305622276959184E-13,4.75524358107683,-18.309305216935805,-16.530132448505547,6.049187412662647,5.758050050555822,-13.101181294803803,14.556868105337674,4.239316239316239,-1.2435897435897467,1.0880999342537794,-1.7396449704142034,-1.5133136094674544,0.2981591058514183,1.65976331360947,-2.234220907297831,1.5650887573964531,0.0019550601458604455,-3.3210852595040536E-5,-1.1357297754811119E-4,-4.4673278648191776E-4,-2.208735624782967E-4,2.4200488045259284E-4,3.131478479835069E-4,-8.696630362694896E-4,6.459405935784335E-4,28.654676686390513,-5.465713352000771E-15,2.193873683801772,-6.87226567987163,-5.305268038675933,2.232676891814601,4.250443708481263,-19.341906763313602,17.90917292899409,53.284594896857435,2.0223139402402852E-14,4.079601796790658,-12.77927148797513,-9.865372460976156,4.151758019046791,7.9038815763671755,-35.967101555378775,33.30287181053587,0.005613254437869817,8.426752885225798E-17,4.2976479289944517E-4,-0.0013462296660314563,-0.0010392655861418438,4.373660749506486E-4,8.326327416173146E-4,-0.0037889467455621225,0.003508284023668531,0.2382069313252071,5.892722207625831E-16,0.01823771817958642,-0.0571292894618927,-0.04410280503883373,0.01856029006575542,0.03533402814657209,-0.1607896786445148,0.1488793320782537,1.2939438315855598,-5.021624142150708E-15,0.0990675746057673,-0.3103272070667086,-0.239567136934863,0.10081979021104412,0.19193500168519406,-0.8734120863202536,0.8087148947409819,0.16305062458908612,-0.047830374753451796,0.02266874863028707,-0.02948550797312209,-0.021932081296629775,0.004969318430856972,0.055325443786982335,-0.14894806048652207,0.08694937541091406,-0.016987125774805278,-0.058091807450827225,-0.22850078931219034,-0.11297532863424394,0.1237838544072431,0.16017299961157294,-0.4448267425996454,0.33039423106553445,-1.9074419899480846E-16,0.07656249999999995,-0.23983050847457651,-0.18514492753623218,0.07791666666666691,0.14833333333333346,-0.6750000000000003,0.6250000000000007,3.795306962837687E-16,0.0765625000000002,-0.23983050847457626,-0.18514492753623216,0.07791666666666634,0.14833333333333312,-0.6750000000000002,0.6249999999999994,1.501224107778674E-14,0.07656250000000665,-0.2398305084745703,-0.18514492753623268,0.07791666666665932,0.14833333333332593,-0.6749999999999994,0.6249999999999815,2.473782847057844E-15,0.07656250000000105,-0.23983050847457546,-0.1851449275362323,0.0779166666666654,0.1483333333333321,-0.675,0.624999999999997,-3.880867174889161E-15,0.07656249999999837,-0.23983050847457804,-0.18514492753623213,0.07791666666666866,0.1483333333333354,-0.6750000000000006,0.6250000000000054,-0.29334677419354915,0.13902889784946224,-0.18083652268999478,-0.1345108695652173,0.0304771505376349,0.3393145161290328,-0.9135080645161293,0.5332661290322592,1.205108192027067,1.1936186396549515,1.397566021830793,1.0267009859923855,0.7663062103496293,0.64525059698061,1.1780788456517792,0.0037586537330278847,1.2500000000000016,1.0156250000000013,1.3082627118644088,1.1186594202898568,0.7447916666666677,0.677083333333334,1.6250000000000018,0.0,1.2499999999999996,1.0156249999999993,1.308262711864406,1.1186594202898543,0.7447916666666663,0.6770833333333334,1.625,0.0,1.2499999999999996,1.0156249999999996,1.3082627118644061,1.1186594202898545,0.7447916666666663,0.6770833333333331,1.6249999999999996,0.0,1.2500000000000002,1.0156250000000002,1.3082627118644063,1.1186594202898548,0.7447916666666669,0.6770833333333335,1.6250000000000002,0.0,1.250000000000001,1.015625000000001,1.308262711864407,1.1186594202898554,0.7447916666666674,0.6770833333333336,1.6250000000000009,0.0,1.5877016129032258,0.8190524193548386,1.2688371377802077,1.092069892473118,0.7835601478494623,0.3931451612903226,2.358870967741935,0.0,44.91933954556702,22.45966977278352,33.97596896697472,44.91933954556704,4.491933954556703,22.459669773589475,2.1316282072803006E-14,0.05747108438438847,0.005747108438438847,-2.856473337937028,58.17431197357184,5.817431197357184,4.063443882278226,44.91933954556702,22.45966977278352,33.97596896697472,44.91933954556704,4.491933954556703,22.459669773589475,2.1316282072803006E-14,0.05747108438438847,0.005747108438438847,-2.856473337937028,58.17431197357184,5.817431197357184,4.063443882278226,44.91933954556702,22.45966977278352,33.97596896697472,44.91933954556704,4.491933954556703,22.459669773589475,2.1316282072803006E-14,0.05747108438438847,0.005747108438438847,-2.856473337937028,58.17431197357184,5.817431197357184,4.063443882278226,44.91933954556702,22.45966977278352,33.97596896697472,44.91933954556704,4.491933954556703,22.459669773589475,2.1316282072803006E-14,0.05747108438438847,0.005747108438438847,-2.856473337937028,58.17431197357184,5.817431197357184,4.063443882278226,44.91933954556702,22.45966977278352,33.97596896697472,44.91933954556704,4.491933954556703,22.459669773589475,2.1316282072803006E-14,0.05747108438438847,0.005747108438438847,-2.856473337937028,58.17431197357184,5.817431197357184,4.063443882278226,44.91933954556702,22.45966977278352,33.97596896697472,44.91933954556704,4.491933954556703,22.459669773589475,2.1316282072803006E-14,0.05747108438438847,0.005747108438438847,-2.856473337937028,58.17431197357184,5.817431197357184,4.063443882278226,52.3675800289031,26.02856970006909,39.74512634338693,52.23724669556978,5.2237246695569794,26.028569700090415,-0.21722222222220466,0.1444313960460345,0.01444313960460345,-1.9349506520151012,73.55573299019366,7.355573299019366,4.298043390851268,0,11.889999999999997,12.110155106233554,-0.15338613822629035,0.06932323151445541,6.2219497596596405,9.356819562189656,10.0,26.0,24.0,24.0,8.0,2.0,2.0,0.0,0.0,2.0,17.491311999999997,3.7616836060063434,3.2913798078155687,2.7768842515067673,2.5999290767315446,2.333552793103045,2.1191107139451755,1.3694469202145263,1.189774395647763,2.0012534160046673,1.71802103276842,1.3750035281584885,1.2496297225843547,1.2207276911187988,0.8852607112872682,0.5303330466697931,0.44331048416252683,3.7762032573675737,3.3170819772088826,2.81395655263789,2.6420694082349008,2.4054545878412874,2.1807133813326223,1.4616437805096156,1.292032138061369,1.9623915754177792,1.651461659155663,1.2849978820509125,1.1345406859483502,1.1313592729216504,0.7900196629867252,0.3887909002019409,0.2938006543389044,3.842437264857403,3.4366873160547113,2.9850101663072075,2.827912382886991,2.7042369872335215,2.4339531464882294,1.846304601604253,1.7131176728861832,1.8561820015247807,1.4616900839948548,1.0204992197861897,0.8648860679362708,0.7603185604308994,0.48085516173740267,0.08192520140593873,0.2092546960902503,3.787019345547402,3.3363949068273677,2.841724931346815,2.6731945405793685,2.457539916041687,2.225214092014424,1.5286873973239765,1.3660660537378886,1.9384080618597872,1.6094704595491454,1.227396600598211,1.074084283106513,1.0582626705327132,0.7272146134253423,0.2941276029860986,0.19339566385484364,3.876305805839402,3.4982297321923284,3.072157749051968,2.9179709429392315,2.8389820851496474,2.5462993074539133,2.0182735029328103,1.8986762545133777,1.8252562147866307,1.4054490486132267,0.9405336609333332,0.7808849818576019,0.6313372621875597,0.3726687207816988,0.24732733666392942,0.3885790615042413,3.7813528039465183,3.3583026828659155,2.9295845016333857,2.688061703405703,2.604077879884301,2.2999816430087896,1.5953882801197186,1.4347846239418731,1.9397985938071094,1.5690458428438812,1.1285590710919355,1.037308663085073,0.9059646723371299,0.6285287932647431,0.19029900424421564,0.08225658096557936,0,0,0,2,2,3,2,1,0,0.0,0.0,0.0,0.08333333333333333,0.13144585576580214,0.0,0.0,0.0,0.041666666666666664,0.06572292788290107,0.7886751345948129,0.0,0.16666666666666666,0.0,0.6106504100245024,0.0,0.11785113019775793,0.0,1.448688404983744,1.404193778638575,1.4982668271404167,1.020056484866589,0.8766792526021766,0.8348669869612935,7.560477932315068,4.698377302757664,4.263968845143928,3.003322558366081,1.95252974511572,1.4491352930730959,0.9199574179672634,0.19245008972987526,0.7560477932315068,0.4698377302757664,0.32799760347260987,0.21452303988329152,0.13946641036540858,0.09057095581706849,0.07666311816393862,0.048112522432468816,7.146264369941973,4.044329304277964,3.392464746857526,2.1140337148788353,1.222235160382552,0.8103350968795111,0.5185228312386284,0.09622504486493763,0.7146264369941973,0.4044329304277964,0.2609588266813482,0.1510024082056311,0.08730251145589658,0.050645943554969444,0.04321023593655237,0.024056261216234408,14.334622430286998,25.102694828841948,23.80392156862746,24.079999999999995,16.388435928143707,197.71142994011979,0.5513316319341153,0.9654882626477672,0.91553544494721,0.926153846153846,0.630324458774758,7.604285766927684,3.1612800000000023,45.372000000000014,41.38554760924701,57.245453800776076,82.77109521849403,8.277109521849402,41.38554760924701,0.1645164260475453,0.01645164260475453,-1.804744859369456,43.266750754587235,4.3266750754587235,3.7673844590804357,88,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,3.0,4.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,2.0,0.0,2.0,0.0,1.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.837962962962964,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.581388888888889,0.0,0.0,0.8365972222222222,1.3929166666666668,0.0,0.581388888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.730416666666667,0.0,2.358148148148148,0.0,4.717592592592593,0.0,0.7401388888888887,0.0,0.0,3.1203703703703707,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5179629629629632,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2850694444444445,0.0,0.0,0.26034722222222223,0.31590277777777775,0.0,0.2850694444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2019907407407406,0.0,1.1741203703703704,0.0,2.3425925925925926,0.0,0.7401388888888887,0.0,0.0,1.5179629629629632,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.29631944444444447,0.0,0.0,0.3159027777777778,0.3805555555555556,0.0,0.29631944444444447,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.264212962962963,0.0,1.1840277777777777,0.0,2.375,0.0,0.7401388888888887,0.0,0.0,1.6024074074074075,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.666666666666668,1.7666666666666668,0.3805555555555556,2.375,0.031666666666666676,0.7401388888888887,5.239680138888889,0.5931944444444446,0.375,2.8960185185185185,0.5931944444444446,0.375,2.8960185185185185,5.0,0.5,0.0,0.0,0.45385,0.7,0.43333,0.43333,0.7,0.02051,0.02051,-0.0,0.0,0.71429,0.0,0.0,0.3,0.3,0.0,7.0,0.7,5.0,0.5,2.0,0.2,-3.0,-0.3,0.0,0.0,9.60317,0.96032,11.95289,2.34972,0.23497,3.64688,0.36469,4.69836,1.05148,0.10515,0.21564,0.02156,0.30164,0.03016,0.23076923076923078,10.0,0,0,0,0,0,0,0.6,0.961236604722876,2.2657101447254595,3.3056450063529996,3.3825680832760767,3.4116022179746714,3.488525294897748,24.992151722794777,58.90846376286195,85.946770165178,87.946770165178,88.70165766734146,90.70165766734145,0.2044992941858259,0.48202089178616075,0.7032629295499827,0.7196280105925491,0.7258049081680119,0.7421699892105782,3.739203113418217,2.434729573415633,1.394794711788093,1.317871634865016,1.2888375001664212,1.2119144232433445,0.19995124560336303,0.4713007842066525,0.6876224160578818,0.7036235389560749,0.7096630628042887,0.7256641857024816,6.796774065078518,18.773560873704312,20.66718517951739,21.590262102594313,20.77397150971063,21.69704843278756,38.708443915244516,23.13437955631408,21.005689300246345,19.759332507258147,20.67733944001273,19.43098264702454,8.1,3.408284023668639,2.2857142857142856,2,2,0,2.56,1.3230000000000002,0.7211247851537042,3.8883225944793316,3.867776753289419,0.0,3.3019272488946267,7.065551058002885,0.0,1.3103706971044482,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.125,0.108,0.39000000000000007,0.521,4.726,13.0,14.0,14.0,16.0,12.0,4.0,0.0,0.0,0.0,93.0,2.5649493574615367,2.995732273553991,3.2188758248682006,3.4339872044851463,3.8066624897703196,3.4965075614664802,2.5649493574615367,0.0,0.0,0.0,5.214935757608986,1.967741935483871,0.5,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.1,4.0,0.4,0,3.0,6.0,1.0,2.5,1.333333333333334,0.5,0.38222222222222235,0.23611111111111113,0.0,0.0,0.0,0.0,0.0,0.25,0.10256410256410262,0.045454545454545456,0.06370370370370372,0.0787037037037037,0.0,0.0,0.0,0.0,0.0,0.5404260554260555,24.794570741056727,37.39674508494395,49.589141482113476,4.958914148211347,24.79457074113257,0.015455772100311849,0.001545577210031185,-4.169772746683323,91.09660651613537,9.109660651613536,4.511920553474804,0.0,163.88692885706686,4.321928094887363,3.8501476017100584,4.61512051684126,5.424950017481403,6.2166061010848646,7.027314514039777,7.824445930877619,8.635331719433278,9.433563920090563,10.244485248089557,83.27196556964839,3.044522437723423,0.0,4.290459441148391,0.0,5.733341276897746,0.0,7.256297239690681,0.0,8.815963560853438,9.055672891964043,136.125200512,5.235584635076923,19.385708226955547,1.9385708226955547,0.0,0.0,0.0,120.0,11.0,3.852,46.0,1.2643011770547439,2.200525762900207,3.0729914737774964,3.798861606783099,4.5925043109045385,5.624068970366425,6.696827342086904,7.064557771326686,0.0,0.0,91.99788741506798,112.6355001775183,115.61281523171745,84.05524645188318,62.695440185791654,87.88433830935507,66.64777178386937,7.178042827365278,0.0,0.0,324.24720218514915,429.2299722167734,509.40994768516464,452.6375906958411,399.1004496416684,500.39148281631304,659.5247138106032,219.592908281461,0.0,0.0,9.24423059840013,15.785450108363202,21.95720939836211,26.706171079030934,31.800917260739414,38.88945623132547,47.146167217035554,47.462977062578574,0.0,0.0,2.3800662607279746,3.3193441925932063,4.174578204246104,4.052412471569954,3.8825608232803117,4.76456652152472,6.586820597701631,3.1409935521831347,0.0,0.0,178.31473671854897,332.20422251438066,468.43692204773447,611.0843946242753,775.7944422876922,955.1696052217311,1066.8060957030125,1306.3614356633923,0.0,0.0,2.901891678862022,4.341051876551063,5.930380181855051,6.305942083878807,6.617177198923644,8.026847388206154,12.092484822168021,7.064557771326686,0.0,0.0,0.49057941209329364,0.691700255304352,0.8783690404270076,0.8664636805204379,0.8430706430056453,1.0321594728365298,1.4281975890888603,0.7234107157838527,0.0,0.0,351.2760044638975,180.38445829879203,11.064922677289609,84.09369400236292,-43.18312451233666,-4.215073740561132,267.1823104615346,223.5675828111287,15.27999641785074,0.8068453218067038,0.4143247886434411,0.025415004113215976,0.19315467819329615,-0.09918725318841452,-0.00968159648089929,152.93492814187982,78.53392721754481,4.8173320495640635,36.611846200722724,-18.800623897766993,-1.8351153834411524,0.11196633323075715,0.15721561711361867,1.7313703151375908,1.5673174694647192,435.36969846626045,0.0,1.0,0.0,661.6205761782242,25.721986240922845,8.713707971949885,817.0377780740372,28.58387269202753,9.348617249354568,1168.9802958669388,34.19035384237693,10.534220312488731,1.677997350198277,1.677997350198277,737.2560143251005,678.8457847246107,182.84068242401267,1.0860434444977591,4.032231801757243,3.712772101508286,4.561009877147061,4.403941769560554,7.949026819578093,0.8049800009892695,4.62587238217427,4.1532830061809225,8.234337529719085,14.44155394867574,9.152186468853209,8.4560465603414,11.544501801396512,6.874113168942689,10.62939555294772,6.367044574086105,6.516200879409528,3.22494760035404,3.3717397336721886,2.976982245934018,1.7804281561688542,9.095455709716724E-14,1.2504560890841774E-48,3.6268066202018E-105,2.125313087394084E-183,2.454873880944457E-283,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3883519575473275,4.153012437715647,0.8720572999234387,5.857578812563167,2.4824009275364314,1.8074385785557652,0.949235894933049,0.30728345044190897,0.4750556730831493,0.3376063579432245,0.7327157793860846,0.10953466153208029,0.203676804363801,0.09400499536129778,0.012539701081124151,6.406003825606517E-16,8.807064479318637E-51,2.5543895572959003E-107,1.49687538513473E-185,1.7289877466954855E-285,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2533202169433932,4.153031099607457,2.1671958143368495,7.592132768906566,3.4485551940079677,2.8351848264030854,2.412280699597141,0.9634999619287877,1.6581565527402409,1.203844871718002,1.613293817567587,0.45169306107828217,0.7086104654468823,0.4061420570060019,0.1306733534255803,6.675549891773063E-15,9.177640215690555E-50,2.661870863172396E-106,1.559859561009211E-184,1.8017385377126614E-284,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.366454418222642,4.153253506015352,7.71016083754168,13.909816345118381,8.604026060228769,7.932501089858354,10.64834543018917,6.230044511347701,9.693037338356017,5.868979238250307,6.0560260750994805,2.9303003515303385,3.1276518581488206,2.7027284859298346,1.5863294331325446,8.10388728693451E-14,1.114133862734704E-48,3.2314194032328117E-105,1.8936156977037127E-183,2.187248431495354E-283,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8470938104497612,4.153054767880771,3.1179263069129206,8.788080941630867,4.22915993646678,3.6384990726898363,3.6243630382887155,1.6171291567817103,2.734463733057208,1.9067175660827802,2.306845755913526,0.7737986288556145,1.0973158051149738,0.7024654479708335,0.2838399850798804,1.450018639615108E-14,1.9935060925592028E-49,5.781939211637226E-106,3.388223405284808E-184,3.913616864156668E-284,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.5863803374047345,4.15340692005176,10.258539801063963,16.417415829506734,11.34055659148818,10.526802282709351,15.143607876873833,9.53364143145301,14.45364585683911,8.357566474974803,8.340505520032236,4.433891525485359,4.332418989668365,4.103419567340289,2.5965871383337444,1.3264867347388298E-13,1.8236726860992192E-48,5.289356602573673E-105,3.0995693976974826E-183,3.5802028424489687E-283,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.7260162879169183,3.636574287008403,4.317474385262463,10.69160407293725,5.3474528677891024,4.704739884454796,5.4137782723907,2.7430915653626893,4.460489174846934,2.993136787895543,3.1586893133432525,1.2916450488859996,1.8279510017894085,1.2582078998676922,0.5704468994489486,2.914172352703827E-14,4.00644528364457E-49,1.1620241930158845E-105,6.809475894107067E-184,7.865384453008228E-284,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0033321090957825,1.53243287266187,0.9461164041203503,0.707783077359593,0.18067133964090915,0.5537391059531735,0.4683348056389473,0.4164676641725377,8.481881385878003,16.3294143363215,33.51528608772206,0.5616746160393895,1.4385415757646587,4.544487925518206,0.8860355490417653,0.4597954963766769,0.7715181381417727,0.15042233763800272,0.3179595905414763,0.15659972266412134,0.09873919156666339,5.890318970936649,6.523508090770695,14.265229424878658,0.6572772072126593,0.573298504772261,5.084517360260747,1.1253488981698414,0.6399353694033466,0.7422868042776574,0.16428926840698926,0.3976660010850981,0.2526026339194191,0.19100987036858993,6.849801627833935,9.695769067129019,20.207188733815833,0.6134302064164862,0.8412785053731072,5.962968758194546,1.5145516800257055,0.9326725850849713,0.709016872938677,0.1800852460613899,0.5463416040925202,0.4574726795436053,0.40476149226622643,8.410193023305222,16.005302667804933,32.83867105272661,0.5635253094080155,1.4085757759023518,5.341133110667471,1.2390533474186913,0.7254835003455995,0.7310942242200605,0.16960160457134407,0.4386618038374819,0.3062149180093328,0.24532439034310308,7.3056699584317615,11.3917655643204,23.498648226654495,0.5966413363300908,0.9902011121899177,6.1312757777792655,1.589111616148064,0.9887271163591318,0.704006793174843,0.1824653487184192,0.5775164128055778,0.5036064037063611,0.45466457503105073,8.709114510286462,17.376637925449447,35.71919911670298,0.5560101897622646,1.5357873915429896,5.975418021952002,1.5144461261634288,0.9342031591087515,0.7093269562112466,0.17977611893778356,0.5485243966870016,0.4571043264196743,0.40648094626398024,8.424067307224183,16.046503424017164,32.924594272134854,0.56399043431687,1.412109669370656 +UMLCN0107,L,2-methyl-2-phenylpentadecane,CCCCCCCCCCCCCC(C)(C)C1=CC=CC=C1,Aromatics,,C22H38,Creton (2011),Unknown,PubChem,,39,0,-0.9323000000000006,0.869183290000001,86.15209999999999,64.05813399999995,6,6,60,22,38,0,22,0,0,0,0,0.0,0.0,0.0,0.0,0.0,3212.421093999997,3633.880006000003,4583.3793860000105,4666.358785000021,4262.946598000033,3782.741947000004,3226.8465760000026,2929.1688870000003,2726.3157740000015,10498.55412686063,13677.36326056497,19351.55137535684,21789.58390175648,21162.19346820481,19463.780041905673,16983.69568409073,14934.669430447757,13741.368618907045,421.1929839999997,436.3613680000004,814.0225040000012,1142.0734120000018,1240.7833840000023,1196.4097720000025,1089.1749760000027,942.475164000003,839.2794800000024,78.25109038426183,103.67048377999993,156.4557397718292,186.1557745918466,186.46103828427974,174.0847739491286,153.69340503943025,133.98507008063774,122.2958637921476,9816.346610901463,8608.132647070204,17439.134647613508,25864.58357173003,28780.92313558513,27972.967528487792,25691.52367904032,22247.917534201573,19659.45646701751,101.34027777777777,123.37499999999999,199.04166666666669,261.1249999999999,273.375,258.7083333333333,228.70833333333334,196.45833333333334,178.20833333333334,53.540351566666615,60.56466676666672,40.20508233333342,28.804683858024823,24.08444405649736,22.121297935672537,20.684913948717966,21.697547311111112,22.71929811666668,174.97590211434382,227.9560543427495,169.75045066102493,134.50360433183013,119.56041507460344,113.82327509886359,108.86984412878672,110.62718096627968,114.51140515755871,7.019883066666662,7.272689466666674,7.140548280701765,7.049835876543221,7.010075615819222,6.99654837426902,6.9818908717948895,6.9812975111111335,6.993995666666687,1.3041848397376972,1.7278413963333321,1.3724187699283263,1.1491097197027569,1.0534521936964958,1.018039613737594,0.9852141348681426,0.9924820005973166,1.0191321982678967,163.60577684835772,143.46887745117007,152.97486532994304,159.65792328228412,162.6040855117804,163.58460542975317,164.6892543528226,164.79938914223388,163.82880389181258,1.6890046296296295,2.05625,1.7459795321637428,1.611882716049382,1.5444915254237288,1.512914230019493,1.4660790598290598,1.455246913580247,1.4850694444444446,0.1046635823293871,-0.00879807897241393,-0.02569994861797588,-0.012360991277098622,-0.014267893172017772,-0.0023837223222128276,-6.206497833545722E-4,0.008979456073623214,4.9231761258816675E-6,1686.8530587333325,5.066169705969514E-12,-279.25892742666247,-240.51780454666616,-137.61169689666872,-154.56093815666966,-51.65483050667021,106.94164128333064,8.071067266664745,3136.7752939198335,-1.354294454358751E-11,-519.2939003331549,-447.2531280325982,-255.89482660925245,-287.4126644907419,-96.05436306740071,198.86254853798175,15.008494229281773,0.33044293333333297,-1.314226505400029E-14,-0.05470490666667854,-0.0471157866666711,-0.026957186666665633,-0.030277426666663776,-0.01011882666666214,0.02094913333333726,0.0015810666666688797,14.022845035562701,2.2648549702353193E-14,-2.3214853503850144,-1.999429579233353,-1.143968937111718,-1.2848683369905807,-0.4294076948689268,0.8890081182832782,0.06709495232326476,76.17231679238934,-1.2847500840962311E-12,-12.61034526802347,-10.860933207719151,-6.2140574225369924,-6.979425198919683,-2.33254941373786,4.82910620813033,0.36446084589682837,7.7984953703703725,-0.34155092592592684,1.667465277777778,0.8207986111111116,-0.27373263888888766,-0.9871701388888853,-0.9944907407407363,0.1922743055555573,-0.23900462962962737,0.0017443930388231184,-1.4663464954023215E-4,-2.2543814577171824E-4,-7.630241529073224E-5,-8.060956594360323E-5,-1.3939896621127647E-5,-3.978524252272899E-6,6.651448943424603E-5,4.102646771568056E-8,28.11421764555554,8.443616176615857E-14,-2.449639714268969,-1.4846778058436183,-0.777467214105473,-0.9038651354191208,-0.3311207083760911,0.7921603058024492,0.06725889388887288,52.279588231997224,-2.2571574239312515E-13,-4.555209652045218,-2.760821777979001,-1.4457334836680928,-1.6807758157353327,-0.615733096585902,1.473055915096161,0.12507078524401477,0.005507382222222216,-2.1903775090000484E-16,-4.7986760233928547E-4,-2.908381893004389E-4,-1.5230048964217873E-4,-1.770609746588525E-4,-6.486427350424449E-5,1.5517876543212785E-4,1.3175555555573997E-5,0.23371408392604504,3.774758283725532E-16,-0.020363906582324686,-0.01234215789650218,-0.006463101339614226,-0.007513849923921525,-0.002752613428646967,0.006585245320616876,5.59124602693873E-4,1.269538613206489,-2.1412501401603853E-14,-0.11061706375459185,-0.06704279757851328,-0.03510766905388131,-0.040815352040465984,-0.01495223983165295,0.035771157097261704,0.003037173715806903,0.1299749228395062,-0.005692515432098781,0.014626888401559457,0.0050666580932784665,-0.0015465120841180093,-0.00577292478882389,-0.006374940645773951,0.0014242541152263504,-0.0019917052469135615,-0.0840605564667705,-0.12923586643283874,-0.04374152704840581,-0.04621066706273244,-0.007991259028717754,-0.0022807499019584896,0.03813044878872083,2.3519050353101442E-5,3.0033260334920515E-15,-0.08713170486023546,-0.05280878965089483,-0.02765388046387197,-0.03214975237135966,-0.011777695988223117,0.028176501860711693,0.0023923444976070873,-4.317473607318467E-15,-0.08713170486023923,-0.05280878965089603,-0.027653880463871853,-0.03214975237135915,-0.011777695988222196,0.028176501860712654,0.002392344497607699,-3.9771663208010214E-14,-0.08713170486025573,-0.05280878965089994,-0.027653880463870517,-0.032149752371355984,-0.011777695988217048,0.028176501860717698,0.0023923444976110065,1.6151180195541797E-15,-0.08713170486023644,-0.0528087896508952,-0.02765388046387212,-0.0321497523713597,-0.011777695988222883,0.02817650186071229,0.002392344497607593,-1.68663648185714E-14,-0.08713170486024446,-0.05280878965089725,-0.027653880463871395,-0.032149752371358094,-0.011777695988220396,0.028176501860714628,0.0023923444976091564,-0.04379702874782955,0.11253623454441919,0.038981812665007734,-0.011898542044357675,-0.04441568159999858,-0.04904746628429058,0.010957914681626914,-0.015323765564938483,1.377078254863565,1.1658081819591497,1.001785337708264,0.9682018908119785,0.9746650866910933,0.9480389890228363,0.8845389440277116,0.915999233251815,1.3409090909090926,1.2443339209267203,1.0847510189615466,1.0047846889952166,0.9905145639217674,0.9500368052999644,0.9096225412014899,0.9527511961722501,1.340909090909091,1.2443339209267186,1.084751018961545,1.0047846889952152,0.9905145639217661,0.9500368052999631,0.9096225412014886,0.9527511961722488,1.3409090909090904,1.2443339209267201,1.0847510189615472,1.004784688995217,0.9905145639217677,0.9500368052999644,0.9096225412014892,0.9527511961722492,1.3409090909090935,1.2443339209267201,1.0847510189615475,1.0047846889952174,0.9905145639217681,0.9500368052999645,0.9096225412014896,0.9527511961722499,1.3409090909090902,1.2443339209267175,1.084751018961544,1.0047846889952141,0.990514563921765,0.9500368052999622,0.9096225412014878,0.952751196172248,1.3765119696047727,0.8477614062166797,0.9228312151329703,0.9774558838807341,0.9825644566751625,0.9118482476279413,0.8015059093585042,0.870170973151872,270.88607306270353,135.44303653135165,217.62441820616885,270.8860730627033,12.313003321031971,135.44303653135165,-2.5579538487363607E-13,0.3548850353218188,0.016131137969173582,-2.2791150494628054,334.1683809929594,15.189471863316335,12.78561900143649,270.88607306270353,135.44303653135165,217.62441820616885,270.8860730627033,12.313003321031971,135.44303653135165,-2.5579538487363607E-13,0.3548850353218188,0.016131137969173582,-2.2791150494628054,334.1683809929594,15.189471863316335,12.78561900143649,270.88607306270353,135.44303653135165,217.62441820616885,270.8860730627033,12.313003321031971,135.44303653135165,-2.5579538487363607E-13,0.3548850353218188,0.016131137969173582,-2.2791150494628054,334.1683809929594,15.189471863316335,12.78561900143649,270.88607306270353,135.44303653135165,217.62441820616885,270.8860730627033,12.313003321031971,135.44303653135165,-2.5579538487363607E-13,0.3548850353218188,0.016131137969173582,-2.2791150494628054,334.1683809929594,15.189471863316335,12.78561900143649,270.88607306270353,135.44303653135165,217.62441820616885,270.8860730627033,12.313003321031971,135.44303653135165,-2.5579538487363607E-13,0.3548850353218188,0.016131137969173582,-2.2791150494628054,334.1683809929594,15.189471863316335,12.78561900143649,270.88607306270353,135.44303653135165,217.62441820616885,270.8860730627033,12.313003321031971,135.44303653135165,-2.5579538487363607E-13,0.3548850353218188,0.016131137969173582,-2.2791150494628054,334.1683809929594,15.189471863316335,12.78561900143649,334.5536479965751,166.62345369658289,270.8738276851308,334.2004799524979,15.190930906931724,166.62345369658289,-0.4856060606061874,0.37417288660379977,0.0170078584819909,-2.162682114410413,257.3367811357416,11.697126415260982,12.210848450818158,0,11.850000000000001,12.150304635095107,-0.2097804502043772,0.09056574799315685,5.127376788258064,10.797888270784378,22.0,60.0,57.0,54.0,16.0,3.0,0.0,0.0,0.0,6.0,41.54186599999999,3.826809675835149,3.5387088894704606,3.4530835616254874,3.336681714528544,3.1650891278816697,2.9356904306216975,2.6676898925333323,2.619181913839722,2.0264002918305857,1.9400136806084383,1.8600218096860863,1.7614152315865754,1.6593151883382877,1.517762632932032,1.3453255911190352,1.2496297225843547,3.838288341541026,3.5661513570089913,3.4800545869252484,3.365181446204214,3.1986651035758924,2.975423131061667,2.7144595080785607,2.6458150318986835,1.9918914858607062,1.8823014377924459,1.8003243818768953,1.699378399535086,1.5882906255967169,1.4351034185398048,1.2514633773629231,1.1345406859483502,3.8913202849066804,3.6863346830208097,3.6000351634678243,3.49092101440018,3.3464691667932667,3.1506460890967576,2.921388800588982,2.7718202154797873,1.9024994439724705,1.7102047640370017,1.6241755663429056,1.5160948597319162,1.3759207849405861,1.1855081711858944,0.9623701552063019,0.7986202314843521,3.8468683792103318,3.5863474095487295,3.5000118366336586,3.3862000641397905,3.2234241869169,3.0047603365349604,2.7490975744551855,2.6659250192640336,1.971147752837582,1.845311280162331,1.762209565647868,1.659751732326372,1.5426963107899685,1.3818263330176,1.1904613241319906,1.058262670532711,3.9190010437468077,3.744482345684275,3.6589881624809433,3.5523603682876748,3.4182370249745397,3.235514088424472,3.020930680336554,2.8389820851496497,1.8774399432091622,1.6559738885720796,1.569465562252425,1.4589997450899779,1.3090415752304099,1.1062923565481528,0.8691006588268577,0.7385642758080577,3.958785278561654,3.5481491145993265,3.4940636600493167,3.392634147929527,3.2326514208386277,3.0209534914240783,2.8585795288486295,2.772953192614904,1.9279982010413856,1.8550911984756806,1.7465318047871479,1.6109132137093771,1.4841428978289875,1.326561595264231,1.126580502435821,0.9162873159186015,0,0,0,5,1,3,12,0,1,0.0,0.0,0.0,0.10206207261596577,0.051031036307982884,0.0,0.0,0.0,0.032075014954979206,0.016037507477489603,1.1948143829493563,0.20412414523193154,0.348461712529338,0.10206207261596577,1.0404401145198807,0.17677669529663687,0.20118446353109126,0.05892556509887897,2.1191350466910124,2.76034625029941,3.0307646426524846,1.5187407016891592,1.759213068956053,1.667099395852689,16.09816554936094,10.66583188730236,8.609048967568967,6.135011084232396,4.333016262251426,3.0603048219429425,1.7446233151691726,1.1711349767722772,0.7317347976982245,0.48481054033192544,0.3311172679834218,0.21910753872258557,0.14941435387073881,0.10201016073143142,0.06978493260676691,0.048797290698844885,15.372032720186704,9.721343774302783,7.535442786200362,4.960593568660107,3.2648301839958593,2.146557565653538,1.3004776623227674,0.8426591835881779,0.6987287600084865,0.44187926246830833,0.28982472254616776,0.17716405602357524,0.11258035117227101,0.07155191885511793,0.052019106492910694,0.03511079931617408,32.29472827193156,57.868900218499725,54.78431372549012,55.440000000000055,37.17253532934137,457.7649305389222,0.5382454711988593,0.9644816703083288,0.9130718954248354,0.9240000000000009,0.6195422554890229,7.629415508982037,7.665300000000008,100.54600000000009,163.5813601806184,250.10988930713987,327.16272036123667,14.871032743692577,163.5813601806184,0.00871888345452665,3.9631288429666585E-4,-10.432981005623589,214.37535854948405,9.744334479522003,11.809002678996254,581,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,15.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,12.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.482189493918785,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8112695169905964,0.0,3.4800905538706495,0.0,0.0,1.8112695169905964,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.065824824260451,0.0,17.03478566197906,0.0,0.0,10.994153150381656,0.0,0.0,0.0,0.0,1.4880363435371278,0.0,0.3338666865083677,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4880363435371278,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.33516336663875324,0.0,0.2055659448556111,0.0,0.0,0.33516336663875324,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2907549111858345,0.0,1.3135229015998247,0.0,0.0,2.1129311483064996,0.0,0.0,0.0,0.0,1.4880363435371278,0.0,0.3338666865083677,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2763312528336046,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3942905986862563,0.0,0.28597222222222224,0.0,0.0,0.3942905986862563,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3875349565373085,0.0,1.4593633770615122,0.0,0.0,2.2763312528336046,0.0,0.0,0.0,0.0,1.4880363435371278,0.0,0.3338666865083677,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,36.91666666666667,1.6780303030303032,0.3942905986862563,2.3875349565373085,0.049334373583197644,0.3338666865083677,14.929859412020512,0.9161333134916323,0.38753495653730835,4.11995594928422,0.9161333134916323,0.38753495653730835,4.11995594928422,11.0,0.5,0.0,0.0,0.44667,0.7,0.43333,0.43333,0.7,0.01333,0.01333,-0.0,0.0,0.71429,0.0,0.0,0.13636,0.04545,0.04545,17.0,0.77273,11.0,0.5,6.0,0.27273,-5.0,-0.22727,0.0,0.0,27.35705,1.2435,33.88648,6.52943,0.29679,8.72494,0.39659,10.66583,1.94089,0.08822,0.24817,0.01128,0.33417,0.01519,0.1,22.0,0,0,0,0,0,0,0.7272727272727273,0.9480782435939052,1.9492451889665197,2.7043533630124776,3.4492553971685,3.8045745041515575,3.9497918961881755,56.88469461563432,116.95471133799118,162.26120178074865,206.95532383011,228.27447024909344,236.98751377129054,0.16050377575957722,0.32999513998374835,0.4578302779169519,0.5839375795673024,0.6440909041010631,0.668675309328507,4.958812352014613,3.957645406641999,3.202537232596041,2.457635198440019,2.102316091456961,1.9570986994203432,0.15861365967929617,0.3261090686589704,0.45243880119788327,0.5770610447082481,0.6365059948411851,0.6608008904952585,6.789428508607512,14.892672648871129,18.843235764828545,21.787669259740454,22.691795879910046,23.619448210199845,85.91605932950984,64.6173296419404,54.49746570524481,44.05541107910626,39.65348688922726,36.47918985069166,20.045454545454547,12.42603550295858,9.693877551020408,16,6,15,3.88,2.9708000000000023,0.4099138248797977,8.389918552880614,0.7841369378620653,1.2758711108489706,27.937983735962277,3.897925509379849,3.9163217550848994,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.184,0.17099999999999999,0.4740000000000001,0.643,10.493,26.0,28.0,29.0,30.0,25.0,24.0,19.0,18.0,17.0,260.0,3.258096538021482,3.56953269648137,3.886705197443856,4.213977737166646,4.56889513012338,4.274058555608974,4.393677251893857,3.903234499395067,3.882851628127866,3.8620446356219045,6.372893077387905,2.2490384615384613,0.47058823529411764,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,0.5909090909090909,16.0,0.7272727272727273,2,9.0,17.0,0.8888888888888888,3.0,1.7777777777777781,0.9375,0.4088888888888891,0.3263888888888889,0.1420408163265306,0.10590277777777779,0.08213655832703451,0.06562500000000002,0.053667993061932456,0.13636363636363635,0.06837606837606838,0.0375,0.018585858585858595,0.017178362573099414,0.008877551020408162,0.007060185185185186,0.005866897023359608,0.005048076923076924,0.004472332755161038,0.3304237163008139,140.90600108020857,223.71193702324086,281.81200216041714,12.809636461837137,140.90600108020857,0.28493132959120504,0.012951424072327501,-2.762115568408025,209.4235060254216,9.5192502738828,11.757588801897459,0.0,357.90228566666883,5.459431618637297,4.574710978503383,5.3230099791384085,6.115892125483034,6.892641641172089,7.70210434005105,8.495560891289124,9.3171298661577,10.122181217776706,10.952857074625786,113.49608811419726,3.8066624897703196,0.0,5.003946305945459,0.0,6.391917113392602,0.0,7.8804263442924,0.0,9.432283202713874,9.676524215119054,302.29735121600106,5.038289186933351,43.28229745781246,1.9673771571732936,0.0,0.0,0.0,1492.0,25.0,10.681999999999999,96.0,1.24440506234935,2.161910341646852,2.9237747773687213,3.6370111371784546,4.674937736487989,5.760668268266585,6.960087675795251,8.140663724028672,9.333603672627762,10.505305080469958,86.49766695907921,96.23959140653952,95.94298293957371,107.29278217807149,123.19241713791665,140.75319763254262,174.42296903527392,209.90163833504292,237.6953558062486,265.8492401372894,309.67613364923324,392.3720121438642,423.9246565762357,493.656947417205,592.7910355460198,693.1061084979557,841.5078076464888,1008.4765146153863,1146.9914127443562,1285.8210267005038,9.08578823552628,15.489793894425782,20.670260717046617,25.639325075905365,32.86283134022365,40.38701433844181,48.77144182740553,57.1288541674053,65.47634175121,73.68288298269792,2.291238408195102,3.1182385900483554,3.5383135651785973,4.198173187237848,5.142356114964767,6.090969779402897,7.358621276974011,8.777239848961061,10.004464434683296,11.227844528712476,176.31595267908148,327.01080046145904,462.791294831059,580.9140801641421,753.3952038291968,936.48169928655,1133.723698310263,1319.4917160251318,1514.6406939042324,1705.7437350049352,2.625202467020804,3.8857330509585646,4.833174364709459,5.86628898550319,7.336820985109574,8.709629646992212,10.432255509854093,12.412722424959474,14.287822379762938,16.176721904487078,0.47297009757150943,0.652730384665572,0.7479898532986643,0.8904809279113152,1.094608047401949,1.2997687767031314,1.5693537846136718,1.869959216253571,2.132269523323048,2.393495373290092,628.9519543367386,728.9818685632843,19.871290176663262,89.3141701446188,-103.51889391911249,-5.309899532600579,539.6377841921199,832.5007624823968,25.18118970926384,0.8756530941660231,1.0149189050084526,0.027665637427926645,0.12434690583397678,-0.14412331361702596,-0.007392663180982855,451.75488272642497,523.6029815501284,14.27287458363639,64.1513428510439,-74.35411474587768,-3.81392095866639,0.05353238812412643,0.05631915565296715,0.6667305396835475,0.5402042564679806,718.2661244813575,0.0,1.0,0.0,1471.8630535986294,38.36486743882519,11.375115139128077,1841.0319861745877,42.90724864372671,12.256141829031366,2803.3291672315145,52.9464745496007,14.100181355465468,3.5506120501119525,3.5506120501119525,12086.146736156114,11986.90971047498,388.7192396796145,1.0082787831124158,31.092226734435922,30.836934442336034,8.926363804948311,10.732180284166624,21.219236956967265,0.9771599428191102,11.006633484189976,16.28375051989847,8.431524270627499,73.45890245762463,25.846999620542434,13.497451399878535,17.92458565782618,20.6993297639538,52.50030267640065,12.505248118130737,9.046133080616167,47.641661057347804,10.898152530231455,54.518845136917925,6.629709546480614,7.176441745702535,26.67349746489967,12.203845860488531,45.86600367709605,7.436681625947712,8.84565469842246,17.466672588801323,8.168191419078319,30.943296137396292,8.996597850437364,8.45723781652801,12.843851570560817,7.130277246498575,17.914249279147644,7.791689684985226,0.9238199970186776,16.101196151745807,0.6064462126346893,20.527675770313586,2.29972454477886,1.852119705688209,2.7870591942327763,2.1986187129608683,13.383479691124462,0.9738935709223204,1.4768345773146898,4.539470520920891,1.4537913330995846,10.788984077223391,1.2437828991963615,0.4959629742582352,3.891186608409062,1.2776963148343554,8.63135250042992,0.5700488080224464,0.6792268671126018,2.2816858446145183,1.137219332874341,6.33893570692368,0.4514324907817794,1.0730537170259182,1.7493295398750794,1.226812499101438,4.226784361823106,0.4279850557568841,2.981937029695395,16.113396156133298,2.023693839278817,25.110855865974244,3.987553518486612,3.4588685400168413,5.3724008432682,4.792430528426404,18.818377551721113,2.62860369180559,2.5010173012552936,11.29953745188722,2.677087031163823,17.570357059973613,1.8621873581946577,1.3935695648869255,6.783503225806662,2.531898540102983,14.227578123824797,1.523503760165996,1.8729444102523687,4.052678511466732,1.9500185572166853,10.01216989525834,1.6097110832750672,2.181340292950615,3.297699054591741,1.9564766627576535,6.231766557632438,1.4612598843701023,10.389370811562456,16.263708130317223,7.888794324902267,68.017632062924,23.302169511204454,12.51202179922988,16.819383979521028,19.148372662895806,49.2036066023485,11.551993676086528,8.398478623752819,44.28199574214501,10.070746824120025,51.08296671460476,6.129832895150621,6.602604635476948,24.656844853021557,11.189657885547765,42.87751941887763,6.857763161604473,8.17830069352421,16.06704856077059,7.51758572309653,28.959789044601745,8.266171526243735,7.864036450689813,11.91126418889358,6.600705150855703,16.797218297865477,7.174684236693323,4.394769898017969,16.129212869691237,3.050040865253279,30.10427186215384,6.072193434352493,4.790572713421414,7.29696824092648,6.9241328324357125,23.306317217942528,3.9720831767970184,3.3587444525864956,16.545238551781488,3.726021742588276,22.862399646483773,2.4295149551476682,2.148119794386026,9.290986001064358,3.682680824477897,18.66428831195156,2.3110920000045736,2.8329042246310183,5.662894397951151,2.6927748955588435,12.934288007582115,2.578820192519606,3.060610542296345,4.5732782969818375,2.59851211855036,7.8423710145612615,2.3100682447715117,13.292079391479245,16.368025759865958,10.513317684824028,96.1043872692192,36.52205483926864,17.45546914263388,22.21931558862388,26.91683857433001,65.73062878279204,16.315525794505323,11.653327845913942,60.89960827043164,14.24464389066939,68.10188012668272,8.673724970043008,9.488291818134936,34.84641584953302,16.350986171483957,57.73603835902576,9.76017561260589,11.506648981461684,23.182511467076633,10.827083219566546,38.82920685483967,11.936408417197008,10.81385718344599,16.584506713740506,9.281984460228138,22.367002710780593,10.264896128713838,6.629294158878374,13.629017444609293,4.71009968432317,39.370317941500474,10.869467956457719,8.059468267762742,10.529518845867653,11.088749512634942,29.569999821126032,6.796164276538376,5.201979590289731,24.060056700231662,5.886039776550284,29.485861476399204,3.6762580026158247,3.6255111400798294,14.270527856978825,6.022148855485548,24.662393990391777,3.7483075200942406,4.527865148921311,9.039318410792497,4.279484550787492,17.266452999328116,4.263760663356021,4.479385379112557,7.104319708953194,3.9787844403881407,10.72322944454386,3.958070225981562,39.49572865838443,1.3285268120153764,0.9831377617453252,0.9447067995623488,0.03177731758204648,0.5653125772260191,0.40628233980392126,0.4088870275522208,41.80739323214513,92.60700163083602,186.00074857458782,0.9170601993435233,1.3804819445821612,39.78368259717957,0.8119220984308854,0.47893192867356005,0.9685728888700045,0.019767042191070325,0.5733063146146927,0.15676155113868226,0.10059663053074169,41.074536624284015,51.743782310148475,108.28841940202267,0.9528593333050068,0.8306644962841168,39.67150346085842,1.0100924857808078,0.6708652782545235,0.9593504784420567,0.024426417578568276,0.5700993272571526,0.24150039543515217,0.19527730018535894,41.35246122489375,67.36375773002062,135.59905694327023,0.939025717663085,1.0068770228776638,39.50306987711452,1.3150066727714083,0.969787940177775,0.9453239680746915,0.03146862585150983,0.5655060313590135,0.3987340715113891,0.3983781884252104,41.787864490063704,91.53167886269343,183.69692399234145,0.9179859521120373,1.362618291295613,39.62054942713574,1.1013303162728094,0.7598633928810735,0.9551322203833414,0.026549759798047846,0.568679976051492,0.2855601496038104,0.24898543270972695,41.48174313628962,74.57837793781137,149.2169974757459,0.9326983305750123,1.1032255583650294,39.47268162283321,1.371110307874315,1.0252340293120759,0.9427657013211952,0.032747604617876166,0.5647092081625639,0.4303001617219696,0.4427611902453088,41.8690259600196,95.99584602601098,193.3519736490142,0.9141485519817929,1.4377705601298423,39.62236700374956,1.320986371978871,0.9742326643396201,0.9452444844003054,0.03151389420937004,0.5689185158368139,0.4022942392994911,0.4018581345363932,41.917586040068045,92.22895908373295,185.13847397624966,0.9178667266004581,1.3730708896726982 +UMLCN0108,L,"1,2-dimethoxybenzene",COC1=CC=CC=C1OC,Aromatics,Ethers,C8H10O2,Marquardt (2015),IQT,PubChem,,13.4,0,0.4062000000000004,0.16499844000000033,44.2428,22.351929999999985,6,6,20,10,10,0,8,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1676.2096099999987,1755.3115619999992,2122.4839639999987,2239.2742120000003,1630.180119999999,762.6341549999996,181.69200000000004,15.240960000000001,0.0,4131.754212232655,4899.385582504448,6195.530403600453,6255.518221243933,5360.466721333664,3980.0318231965352,1979.3175623584239,466.25616646395395,0.0,154.2122,156.55495200000001,254.53851200000005,245.01544000000013,249.73657600000013,259.3022520000002,180.2684160000001,100.77695999999997,0.0,28.043737048489987,33.226203100000006,42.45319982509402,43.51585902654702,39.58505533369802,33.57384318194301,20.924975198187983,6.6691935727350025,0.0,3234.4339405674905,2905.364927329001,5073.3201164055945,4755.222269538149,4987.329007685299,5606.241609415344,4362.727492271589,2773.764780363735,0.0,64.05555555555556,67.11111111111111,96.0,100.25000000000001,93.33333333333334,79.0,40.0,15.0,0.0,83.81048049999994,87.76557809999996,66.32762387499996,72.23465200000001,50.94312874999997,22.4304163235294,6.988153846153848,1.016064,0.0,206.58771061163276,244.9692791252224,193.61032511251415,201.7909103627075,167.514585041677,117.05975950578045,76.12759855224706,31.083744430930263,0.0,7.71061,7.8277476,7.954328500000002,7.903723870967746,7.804268000000004,7.626536823529417,6.933400615384619,6.718463999999998,0.0,1.4021868524244994,1.6613101550000002,1.326662494534188,1.4037373879531296,1.2370329791780632,0.9874659759395004,0.8048067383918455,0.4446129048490002,0.0,161.72169702837454,145.26824636645006,158.54125363767483,153.39426675929514,155.8540314901656,164.8894591004513,167.79721124121494,184.917652024249,0.0,3.202777777777778,3.3555555555555556,3.0,3.233870967741936,2.916666666666667,2.323529411764706,1.5384615384615385,1.0,0.0,0.3070350793223579,-0.0879375301903079,-0.15732023754715013,0.19183050167482943,-0.03671913987641526,-0.14920976463739327,0.04052183776238637,0.045316793152871675,0.0,721.7174322000001,40.69913519999952,40.04324867999962,26.112571589999547,-397.1599945200003,-589.0148081399999,-3.741970259999391,522.2031013500008,0.0,1011.5158535508793,-94.95414884086522,342.6053770225632,-135.58388465446538,-639.0789557503751,-486.7604471933763,-209.28434804762784,717.2984806887066,0.0,1.8822792000000006,-0.02506079999999903,-0.7606507199999972,0.5683628400000013,-0.550789919999998,-0.9656546399999992,0.3703010399999954,0.4223525999999963,0.0,4.6467172722450005,-1.0214684759999944,1.8873498464490013,-0.8252218748122457,-2.8584461689469984,-0.734238803371503,-1.3522623136245056,2.5809291541837425,0.0,26.315223238244972,-6.624553670749945,10.507213499149001,-4.595678114312209,-15.76139690039696,-1.8454035686215204,-7.903428217874527,13.065635353683673,0.0,11.783333333333333,-0.24999999999999978,-4.125555555555558,4.516388888888888,-3.020000000000001,-9.970555555555553,1.253888888888888,5.704166666666667,0.0,0.015351753966117895,-0.004396876509515394,-0.004916257423348442,0.006188080699188046,-0.0011474731211379768,-0.0043885224893350965,0.0015585322216302448,0.003021119543524778,0.0,36.085871610000005,2.034956759999976,1.2513515212499882,0.8423410190322435,-12.411249828750009,-17.323964945294115,-0.14392193307689966,34.81354009000005,0.0,50.575792677543966,-4.747707442043261,10.7064180319551,-4.3736736985311415,-19.971217367199223,-14.316483740981656,-8.04939800183184,47.81989871258044,0.0,0.09411396000000002,-0.0012530399999999514,-0.023770334999999913,0.018334285161290362,-0.01721218499999994,-0.028401607058823507,0.014242347692307516,0.028156839999999753,0.0,0.23233586361225003,-0.05107342379999972,0.05897968270153129,-0.02662006047781438,-0.0893264427795937,-0.021595258922691266,-0.05201008898555791,0.1720619436122495,0.0,1.3157611619122487,-0.33122768353749726,0.3283504218484063,-0.14824768110684544,-0.492543653137405,-0.054276575547691774,-0.3039780083797895,0.8710423569122449,0.0,0.5891666666666666,-0.012499999999999989,-0.1289236111111112,0.14568996415770605,-0.09437500000000003,-0.293251633986928,0.04822649572649569,0.38027777777777777,0.0,-0.2864087399537229,-0.32024076429304904,0.4030862345009864,-0.07474540848365005,-0.2858645662913039,0.10152144341747563,0.19679311889654716,0.0,0.056392063408995094,0.03467704853506206,0.023342681815639352,-0.3439365401197803,-0.48007611212841955,-0.00398831804957751,0.9647415605267695,0.0,-0.09387311974155728,0.2116905631161532,-0.08647761047298594,-0.39487700162268724,-0.28306988349662154,-0.15915515260734278,0.9455096238919224,0.0,-0.013314071578753578,-0.2525697037931451,0.19480941149740547,-0.18288663020873774,-0.30177889718829704,0.15133087261770212,0.29917814530383957,0.0,-0.21982582889242264,0.2538552670454858,-0.11457577002507513,-0.38447117629963656,-0.09294845224038259,-0.22385734245643016,0.7405741883199191,0.0,-0.2517384561314386,0.24955169019520337,-0.11267066196982978,-0.3743412310647409,-0.041251085013642934,-0.23102825739133842,0.6620064356104902,0.0,-0.0212164073550212,-0.218823668081094,0.2472814101686666,-0.16018387553041025,-0.4977396899353799,0.0818554382910818,0.6454502593116455,0.0,1.2299178480819695,1.6864584537097056,0.8439400381967814,1.2062221272087166,1.300729930984466,0.093623900408096,9.789467192359701E-4,0.0,0.8386681398354618,0.9792175824296934,0.937548957355663,1.2923335174794335,1.4459593978019192,0.8580909539579993,0.0,0.0,1.1218881953461248,0.7159807110786747,1.047182527230758,1.3277360244182657,1.179399345556588,1.1385024793883816,0.0,0.0,0.8920741407544636,1.6173735676407617,0.9582222480339856,1.2990092675943081,1.3956949263487395,0.06445189509529795,0.0,0.0,1.3368622597585957,0.7139473726902357,1.1303982941001014,1.3546077824698244,0.9770708143448511,1.10793211672608,0.0,0.0,1.388166330878483,0.7442801071199889,1.1502579345336068,1.3610207913598111,0.9287846297614283,1.0627065864864012,0.0,0.0,0.8644507307873643,1.4178895568128238,0.7903301850922417,1.1981376709099478,1.5650220484233297,0.43412033511043413,0.0,0.0,33.749134330126964,17.12456716506347,23.019191259041158,34.14913433012695,3.414913433012695,17.124567356358018,0.49999999999997513,9.992007221626409E-16,9.992007221626409E-17,-34.53957599234088,47.23160059367438,4.723160059367438,3.85506317267689,33.76683066449995,17.13268091134867,23.030616820564923,34.16565559105786,3.416565559105786,17.132681101032265,0.4985311581973946,2.220446049250313E-16,2.2204460492503132E-17,-36.04365338911715,47.26043941723104,4.726043941723104,3.8556735695833115,49.69316805847297,24.447589551178456,33.56892765001634,49.37397247602655,4.937397247602655,24.4475895512816,-0.7979889561160576,5.551115123125783E-16,5.551115123125783E-17,-35.127362657243,77.05388946811361,7.705388946811361,4.34450504028588,33.785404291887374,17.141196946162623,23.042609973082094,34.18299597223768,3.4182995972237675,17.141197134170053,0.4969896004378711,2.220446049250313E-16,2.2204460492503132E-17,-36.04365338911715,47.29072628528315,4.729072628528315,3.856314214653374,66.82171849537605,32.32856498334887,45.10727245865765,65.95588308390472,6.595588308390472,32.328564983348905,-2.1645885286783155,9.992007221626409E-16,9.992007221626409E-17,-34.53957599234088,111.8211713169337,11.18211713169337,4.716900910565401,35.60713552858809,17.97670195017234,24.22432553861436,35.884150225993366,3.5884150225993365,17.976702029023624,0.3462683717565973,8.881784197001252E-16,8.881784197001253E-17,-34.657359027997266,50.345676934050225,5.034567693405022,3.9189127551814478,32.177228343511615,16.269908343717823,22.34222071040795,32.69008548636876,3.269008548636876,16.269908854867136,0.8547619047619026,0.022344972070594382,0.0022344972070594384,-3.801153946514962,46.817914369394444,4.681791436939444,3.846265915350678,0,11.996291895232917,15.998259707158715,-0.3749910590131498,0.10637031845055024,4.788859831564757,7.8932617765205935,10.0,20.0,17.0,14.0,4.0,3.0,0.0,0.0,0.0,6.0,14.764069999999998,3.806330522513745,2.996879128530458,2.965265928380441,2.521946291672418,2.3809133631242405,1.322321113347511,1.1036685275385445,0.7146577651163946,1.9157286368503943,1.4205948327506361,1.4190793732764717,1.0318529638481393,0.8766599673455578,0.2443495729656791,0.1784146788304317,0.08392307051869115,3.773086563991121,2.907144691975129,2.8547183517399657,2.550839898194509,2.4227042974510593,1.109691044769169,1.073066512611461,0.7905693644439062,1.921255883971443,1.392146651722329,1.3851766821306786,0.9593786947996188,0.8382641129377025,0.08394764940370512,0.08307091279523174,0.23650148277573155,3.8519337778398297,3.1432735541688634,3.1315526853952793,2.709387294743946,2.59702978521995,1.5830477794637976,1.5404229907821756,1.3539917521831883,1.8202527752331479,1.0747143181059562,1.0516102533278608,0.7395842718829703,0.6212784434646058,0.4511943448708775,0.4808206364588737,0.7896215861608733,3.7689326176564406,2.8937404198213614,2.8439960576768644,2.576817235066799,2.4533092476485736,1.1185652650915268,1.0928896554515162,0.8203359254004143,1.924770514159349,1.3773003414621199,1.3644061605174491,0.9126051543756416,0.8048488112675184,0.011431872949426646,0.011330951108068088,0.17158799477999961,3.862809491931844,3.1926396548773375,3.183842183943394,2.7830425179040876,2.6718648226466297,1.699445647449243,1.6734150232994303,1.5048360037137452,1.8067652801453198,1.0204096525866735,0.9881676971982833,0.6705533789727599,0.5524096792794917,0.6172796824491189,0.6479816471714691,0.8657900969591694,3.860465568868031,3.2036479178079227,3.1882744545770247,2.6311405465539797,2.4676554084158475,1.6704336638713664,1.4342533276736937,1.0550307414629327,1.8541603948174648,1.1655832627800542,1.1552033699657809,0.8512781163859522,0.7589780736665707,0.14494885084307998,0.16028346661080276,0.5217391304347822,0,0,0,6,0,0,0,0,0,0.0,0.0,0.0,0.08333333333333333,0.11785113019775793,0.0,0.0,0.0,0.027777777777777776,0.022680460581325723,0.3333333333333333,0.0,0.08333333333333333,0.0,0.11785113019775793,0.0,0.013888888888888888,0.0,1.040440114519881,1.6094757082487297,1.6094757082487297,0.30204641611818106,0.3779367163284276,0.305032355400145,7.397341225498538,4.8805400575618805,3.6211129420755883,3.1152513709083838,2.3593720075067033,1.5618348735555936,0.606493072294114,0.2773689270621825,0.7397341225498538,0.48805400575618807,0.30175941183963234,0.2076834247272256,0.14746075046916896,0.10412232490370624,0.07581163403676425,0.055473785412436506,6.125897657686229,3.052095140581215,1.8549833434792071,1.2889881668208125,0.7874372297358476,0.43958676643771993,0.1300055523912222,0.049990550792281076,0.6125897657686229,0.3052095140581215,0.15458194528993394,0.08593254445472083,0.049214826858490476,0.029305784429181327,0.016250694048902774,0.009998110158456214,12.13873722776308,20.10050983248361,19.325490196078437,19.6,12.953251497005985,151.6784011976048,0.6069368613881541,1.0050254916241805,0.9662745098039218,0.9800000000000001,0.6476625748502992,7.58392005988024,2.2045900000000005,41.60700000000001,43.86422514847525,62.93606994324647,87.72845029695051,8.772845029695052,43.86422514847525,1.6653345369377348E-16,1.6653345369377347E-17,-36.33133546156894,65.76402322912841,6.576402322912841,4.186072929368087,80,0.0,0.0,2.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.022407407407407,9.065185185185186,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.129027777777778,0.0,0.0,0.0,0.0,2.129027777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.245740740740741,0.0,0.0,0.0,0.0,7.528148148148148,0.0,0.0,0.0,0.0,1.5370370370370372,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.022407407407407,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.011203703703703,0.7685185185185186,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5099305555555556,0.0,0.0,0.0,0.0,0.5099305555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6228703703703704,0.0,0.0,0.0,0.0,1.8599537037037037,0.0,0.0,0.0,0.0,0.7685185185185186,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.011203703703703,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.011203703703703,1.9041203703703704,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5545833333333334,0.0,0.0,0.0,0.0,0.5545833333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6228703703703704,0.0,0.0,0.0,0.0,1.9041203703703704,0.0,0.0,0.0,0.0,0.7685185185185187,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.011203703703703,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,22.333333333333336,2.2333333333333334,0.5759722222222222,5.011203703703703,0.2320833333333332,0.7685185185185186,3.9604837037037037,0.8981481481481481,1.5112037037037038,6.044814814814814,0.8981481481481481,1.5112037037037038,6.044814814814814,4.66666,0.46667,0.0,0.03333,0.57667,0.85333,0.43333,0.51282,0.85333,0.14333,0.06385,-0.07949,0.0,0.54687,0.16742,0.0,0.21429,0.21429,0.0,13.0,1.3,6.0,0.6,7.0,0.7,1.0,0.1,1.0,0.1,4.67871,0.46787,11.60458,6.92588,0.69259,1.8963,0.18963,4.88053,2.98423,0.29842,0.03347,0.00335,0.11947,0.01195,0.3,10.02,0,2,2,2,0,0,0.25,1.3609640474436813,2.4464393446710155,2.6464393446710157,2.8464393446710154,2.8464393446710154,2.8464393446710154,27.219280948873624,48.92878689342031,52.928786893420316,56.92878689342031,56.92878689342031,56.92878689342031,0.3148974294721927,0.5660527641737118,0.6123284068056636,0.6586040494376154,0.6586040494376154,0.6586040494376154,2.9609640474436816,1.875488750216347,1.675488750216347,1.4754887502163472,1.4754887502163472,1.4754887502163472,0.3008611489495267,0.5408214518638907,0.5850343977553916,0.6292473436468923,0.6292473436468923,0.6292473436468923,12.162562996609601,19.85183715357295,22.25183715357295,22.45340215997295,22.453402159972953,22.453402159972956,35.69610437365714,29.417047780417853,26.244420352688184,25.715649114733235,25.71564911473324,25.71564911473324,8.1,4.0,1.991111111111111,2,8,0,2.1199999999999997,1.1156000000000006,0.19999999999999996,2.032530992618459,1.6329931618554518,0.0,3.965406456500188,4.298279727294167,0.0,1.0,0.0,0.0,0.0,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.36600000000000005,0.37100000000000005,1.236,0.7000000000000001,4.534999999999999,12.0,15.0,16.0,15.0,8.0,5.0,2.0,1.0,0.0,94.0,2.6390573296152584,3.1135153092103742,3.6309854756950335,4.040855877271114,4.404430043670119,3.944006051281197,3.66276004288031,2.7842393394597567,2.1510351948668447,0.0,5.800039176064557,3.5033244680851063,0.4,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.2,4.0,0.4,0,3.0,5.0,0.6666666666666666,1.5,1.1111111111111116,0.5,0.38222222222222235,0.125,0.0,0.0,0.0,0.0,0.0,0.15,0.09259259259259263,0.041666666666666664,0.047777777777777794,0.041666666666666664,0.0,0.0,0.0,0.0,0.0,0.3737037037037038,24.21752584284797,32.64616532960304,48.43505168569595,4.843505168569595,24.217525842985527,3.885780586188048E-16,3.8857805861880476E-17,-35.48403760118173,44.534343175424446,4.4534343175424445,3.7962606482721974,18.46,133.33895430565573,4.321928094887363,3.8066624897703196,4.59511985013459,5.3981627015177525,6.20455776256869,7.01301578963963,7.822044008185619,8.63141433550626,9.440896383005846,10.250440389576625,83.16231370990533,3.044522437723423,0.0,4.23410650459726,0.0,5.673323267171493,0.0,7.21890970761906,0.0,8.808518618782816,9.0410929746695,138.06807956,6.903403978,19.569508936882972,1.956950893688297,5.554752788491692,5.554752788491692,0.0,117.0,12.0,1.296,44.0,1.234215187048051,2.1300580561143825,3.0001060198982885,3.766321741594957,4.26045610934591,4.837795847253026,4.52826026499241,0.0,0.0,0.0,118.03075070663768,152.59650630490788,224.96628803613422,196.52464472125502,95.8861158168371,31.30851238678656,4.601002237889247,0.0,0.0,0.0,318.3147498921745,436.91272057212876,616.606218196112,640.4973041953185,509.2304470329371,349.44322884503123,140.7552847937606,0.0,0.0,0.0,9.759720898578822,17.022316074273053,23.811999807165655,29.56118595701441,32.35573789505627,33.45244625721122,30.422953572981964,0.0,0.0,0.0,2.114144455329309,2.9573039167217177,4.246048268923528,4.683611476830645,4.319033703064457,3.7427839757614736,2.0133229503305774,0.0,0.0,0.0,178.39952256650798,334.1726118842477,457.9385463397015,589.1746458687448,696.5819176902133,818.9319212006516,837.3552559570999,0.0,0.0,0.0,4.326472132874846,6.606584778342301,9.944606957160781,11.138109546759944,9.888254520220475,7.2174681107918355,4.52826026499241,0.0,0.0,0.0,0.49280354271452886,0.7073866120149414,1.0180212808352604,1.1274592074661516,1.0044895119951658,0.8228331982216501,0.46369385113522277,0.0,0.0,0.0,248.3660685120933,215.79858987472355,14.55520634869647,87.11131646459896,-75.68867747437858,-15.220353309780133,161.25475204749435,291.4872673491021,29.775559658476602,0.7403362480882247,0.6432582330094068,0.043386550034386705,0.2596637519117753,-0.22561484279972302,-0.045369237961711155,83.32119918137906,72.39554661282995,4.88294256365684,29.223876649420735,-25.391839591448797,-5.106084326786382,0.12105428011748992,0.3982120503719103,0.7042938646698417,8.06318585824832,298.36942433249607,37.10796064419617,0.8893875941987138,0.11061240580128612,880.8900230845212,29.67979149327908,9.58606928791773,978.6096330768196,31.2827369818694,9.928184261525779,1577.3052822880136,39.7153028729231,11.640507614089874,1.4890233322607298,1.4890233322607298,551.5256393850184,360.08903649386883,243.1091922894036,1.5316368550265738,2.2686334243111124,1.4811823160730562,4.071015482261396,3.8214298939946127,6.5301560221780806,0.708825283551646,3.115765418810292,1.8835811322629927,7.00209518079938,9.31734350662195,5.548822625999392,6.849971129339449,6.886224528484971,6.655603788815547,6.218912831763544,2.632784230039973,0.09028858345613518,3.4670407273994517,2.6682923468603414E-10,1.4149481055665713E-41,1.4901697144133186E-94,3.0293608661722624E-169,1.1878229559844201E-265,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2616028445122649,2.218735614573335,0.700570481978716,2.093717877028834,0.6761350498702176,4.180837706392628,3.4888987313208415,1.4688251585955197,0.3004566650733297,0.21489361424565379,0.002266259034523485,0.02441865132664827,1.879300117262217E-12,9.96559520114078E-44,1.0495387142764722E-96,2.133603627700649E-171,8.365934201681055E-268,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8441944728806046,1.5954771590004129,1.4649433568717105,2.3605327371384788,1.6182710653933634,3.001520200553371,3.1422620893881428,2.103927389873165,1.085309186596061,0.6976904352135943,0.010815353491931867,0.2544611737028077,1.958375616987882E-11,1.0384918551017391E-42,1.0937002601362943E-95,2.223379481768443E-170,8.717948455069015E-267,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.941037778382176,2.217464788813448,8.091083353683509,9.284264993720479,5.280626846553967,7.690620108647238,7.327665850265069,7.466607731005864,5.773730944428531,2.4809702268522145,0.08156809440160956,3.0890708690979545,2.377400442337994E-10,1.2606932879815133E-41,1.3277143872085363E-94,2.699105992532495E-169,1.0583288687610918E-265,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2441266703400524,1.3586340690233292,1.724173602186129,2.8418409862767158,2.2828398667428473,2.7387395316431355,3.1780409200655497,2.3415627176511102,1.732798307090036,1.0323037599061686,0.019480479111662983,0.5527236720710172,4.253853531227122E-11,2.2557430794454542E-42,2.375663112493493E-95,4.8294773371032744E-170,1.8936548994462295E-266,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7627131450673144,2.095071002755676,9.749560965651025,12.543217298631578,6.681279496402631,8.555397930583554,8.561181851147277,8.885491513356067,8.302016705979703,3.1992359840931224,0.12635966683904634,5.056353062971344,3.8914536175841807E-10,2.0635688329203574E-41,2.1732724799782253E-94,4.418038119213259E-169,1.7323281478335856E-265,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6963512231459605,2.721403549523067,5.6534855242960536,5.638003185739856,2.82361975842822,7.648228057506904,6.42100195115249,5.520931226219246,2.658664824438481,1.4119088781714464,0.0303502460773179,0.9437691205019301,7.263404498069738E-11,3.851654578479891E-42,4.056416613903929E-95,8.246275325686309E-170,3.233393301734527E-266,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.682237564650676,2.4089266878021443,0.26759627166119015,0.5790810254115892,0.37883588769649235,0.5569974977489288,0.5627540456597782,0.39619616593716184,6.358760524114011,10.500213184346883,19.232616952267765,0.4368753696621224,1.5159477093458686,2.435885672147762,1.5855664222622095,0.2650091391710232,0.5682742802068398,0.36990102927808255,0.24246506586311883,0.2464862007452882,0.3417260921184749,4.286461233580995,4.9279800879842,10.23797512991662,0.4072629642273835,0.8306773587268819,2.988269360410941,1.8344254012041579,0.2253536618317753,0.5919652724667231,0.36339298820584376,0.3662376269330101,0.32722248715568025,0.28030440070676393,5.048048423446874,6.568569144804816,12.851951631136632,0.43303739100885036,0.9737645147954543,3.5525893761132767,2.3634771769096634,0.2840521075270908,0.5729873201810811,0.38119870059067423,0.5175744320944942,0.5422019819978028,0.4430904862632473,6.200118660550031,10.076935082032167,18.662087011815455,0.4312790311576331,1.5028669003555444,3.2687773455976066,1.9886218928890618,0.2118366148274155,0.5976661883427263,0.36360141457129813,0.4394916081624481,0.38370707992807246,0.2503686232692898,5.469235853314084,7.614071849912443,14.460322425224115,0.4419014043710367,1.0735673113598103,3.757204103883509,2.4911720986115955,0.2800692121628273,0.5755128311937298,0.38158733670627226,0.5797151792586255,0.6018233179422454,0.4331327842852847,6.528445414657932,11.109819832713344,20.25966883134946,0.435650251850003,1.6146712814861557,3.616853960556627,2.3746659508306207,0.2718621316476182,0.5774602180907541,0.3791347764697421,0.5370163166082108,0.5470637506061198,0.40798774419088235,6.263382043034866,10.217687324179586,18.816044266958055,0.4348924918407444,1.492067811405213 +UMLCN0109,L,diphenylmethane,C1=CC=C(C=C1)CC2=CC=CC=C2,Aromatics,,C13H12,NREL (2014),Unknown,PubChem,,11,0,2.8718,8.24723524,64.07239999999999,30.881515999999987,12,12,25,13,12,0,13,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1887.6263409999983,2164.9827499999997,2744.0762330000016,2415.253022000001,1773.6825219999976,1672.761561999998,1380.1690639999986,778.8984039999998,249.24933700000003,5878.724655912448,7306.07602093684,9984.549867061985,9849.478303794662,7715.660954021655,6673.433045333789,5702.06426411141,3778.523424373062,1590.0797881609205,178.64827600000004,190.97880799999996,305.73040400000014,387.0791600000001,367.9590159999999,284.14410400000014,242.18921600000021,197.79188800000014,118.22928399999998,41.591054858188016,52.40713172,74.58097634484896,78.23492115879193,63.95495853758406,53.26815243818805,45.91190081879204,32.52921219879201,15.254157718792003,3867.338453460989,3612.5915578148,6015.3628506638515,8154.383728266795,8207.812233823386,6243.161244023189,5249.9019237461935,4436.479403960393,2831.1159539871924,59.80555555555556,73.33333333333334,106.44444444444446,116.66666666666667,99.33333333333334,84.33333333333333,75.33333333333334,56.0,28.0,75.50505363999993,83.2685673076923,65.33514840476194,44.72690781481483,34.109279269230726,41.81903904999995,40.59320776470584,27.817800142857134,14.661725705882354,235.1489862364979,281.00292388218617,237.72737778719014,182.39774636656782,148.37809526964722,166.8358261333447,167.707772473865,134.94726515618078,93.5341051859365,7.145931040000002,7.345338769230768,7.279295333333336,7.1681325925925945,7.076134923076921,7.103602600000004,7.123212235294124,7.063996000000005,6.954663764705881,1.6636421943275206,2.0156589123076922,1.7757375320202133,1.4487948362739247,1.2299030487996936,1.3317038109547013,1.350350024082119,1.161757578528286,0.897303395223059,154.69353813843955,138.94582914672307,143.222925015806,151.0071060790147,157.84254295814205,156.07903110057973,154.40888011018217,158.44569299858546,166.5362325874819,2.3922222222222222,2.8205128205128207,2.534391534391535,2.160493827160494,1.9102564102564104,2.1083333333333334,2.215686274509804,2.0,1.6470588235294117,0.0809357663426198,0.002308285975679778,-0.033955761225328694,-0.026584037439160046,0.009023632976720725,0.018386159841016696,-0.010789029837454767,-0.014256813823084774,0.003953283557832731,755.4518961599997,27.893608473599375,-218.30622742880064,-314.5779177856001,17.046094067200286,127.84570550400008,-58.88650677759996,-110.02478897919978,48.03899237120035,1404.795059860749,51.86935605639692,-405.94975191360635,-584.9710710804763,31.697939812242495,237.73454859181908,-109.50197389683788,-204.59579333356547,89.3305576526835,0.1479878399999999,0.00546416640000138,-0.04276469119999842,-0.06162365439999946,0.0033392127999991705,0.025044095999999592,-0.011535462400000139,-0.02155310080000051,0.009410508799999162,6.280087537457757,0.23188015522921857,-1.814784270439706,-2.6150928617516387,0.1417045393067342,1.0627840448005426,-0.489524772150554,-0.914638390070774,0.39934915622807887,34.113535175921726,1.2595766834186082,-9.857936959811273,-14.205225929665872,0.7697413065336463,5.773059799002146,-2.65910633166159,-4.968330251262433,2.1692709547765823,5.53777777777778,0.11848888888888853,-1.7768000000000006,-2.830488888888886,0.5414222222222236,1.7284444444444447,-0.16026666666666678,-1.0867555555555546,0.0754222222222225,0.003237430653704792,8.878022983383762E-5,-8.084705053649689E-4,-4.92296989614075E-4,1.7353140339847547E-4,4.596539960254174E-4,-3.1732440698396374E-4,-5.091719222530276E-4,2.3254609163721944E-4,30.218075846399987,1.0728310951384374,-5.197767319733349,-5.825516996029632,0.3278095012923132,3.196142637600002,-1.7319560816941166,-3.929456749257135,2.8258230806588442,56.19180239442996,1.994975232938343,-9.665470283657294,-10.832797612601414,0.609575765620048,5.943363714795477,-3.220646291083467,-7.30699261905591,5.25473868545197,0.005919513599999996,2.1016024615389922E-4,-0.0010182069333332956,-0.0011411787851851752,6.421563076921482E-5,6.261023999999899E-4,-3.3927830588235703E-4,-7.697536000000182E-4,5.535593411764213E-4,0.2512035014983103,0.008918467508816098,-0.043209149296183476,-0.04842764558799331,0.0027250872943602733,0.026569601120013563,-0.014397787416192765,-0.032665656788241924,0.023491126836945816,1.364541407036869,0.048445257054561854,-0.23471278475741125,-0.2630597394382569,0.01480271743333935,0.14432649497505365,-0.07820900975475265,-0.17744036611651545,0.1276041738103872,0.22151111111111121,0.004557264957264944,-0.04230476190476192,-0.05241646090534974,0.010411965811965839,0.04321111111111112,-0.004713725490196082,-0.038812698412698375,0.004436601307189559,0.027423052207231347,-0.24972596847434744,-0.15206410338108992,0.05360158161222473,0.14198110946389134,-0.09801736034741927,-0.15727654943600128,0.07183044720080801,0.035502958579880874,-0.1720085470085476,-0.19278252611585958,0.010848126232741803,0.10576923076923088,-0.05731523378582201,-0.13003663003662982,0.09351432880844718,0.03550295857988168,-0.17200854700854706,-0.19278252611585955,0.010848126232741602,0.10576923076923077,-0.05731523378582202,-0.13003663003663002,0.09351432880844641,0.035502958579890644,-0.17200854700854076,-0.1927825261158579,0.01084812623273893,0.10576923076922912,-0.05731523378582275,-0.13003663003663318,0.0935143288084382,0.035502958579883045,-0.17200854700854606,-0.19278252611585933,0.01084812623274124,0.10576923076923067,-0.057315233785822095,-0.1300366300366305,0.09351432880844548,0.03550295857988053,-0.17200854700854779,-0.1927825261158595,0.01084812623274201,0.10576923076923091,-0.057315233785822,-0.13003663003662969,0.09351432880844736,0.020573527595999435,-0.19098257280440264,-0.2366312942155635,0.047004259785158764,0.19507423756019254,-0.02127986025871023,-0.1752178399449665,0.020028798036068423,0.8918998207389941,1.1423513608601321,1.057208438515153,0.8306257214719527,0.7870019964044281,1.1424063731327512,1.2732022535682208,1.0621020912930328,0.8875739644970421,1.0989010989011,1.139601139601141,0.9615384615384626,0.8653846153846162,1.018099547511313,1.0989010989010999,0.9049773755656112,0.8875739644970417,1.0989010989010988,1.1396011396011392,0.9615384615384613,0.8653846153846153,1.0180995475113122,1.0989010989010988,0.9049773755656111,0.8875739644970407,1.0989010989010979,1.1396011396011385,0.9615384615384607,0.8653846153846146,1.0180995475113115,1.098901098901098,0.9049773755656104,0.8875739644970421,1.0989010989010997,1.1396011396011403,0.9615384615384622,0.865384615384616,1.0180995475113128,1.0989010989010997,0.9049773755656114,0.8875739644970414,1.0989010989010992,1.1396011396011394,0.9615384615384618,0.8653846153846156,1.0180995475113126,1.0989010989010992,0.9049773755656108,0.9167798493641187,1.0834670947030494,1.1414303549135005,0.8589023336214344,0.7855136436597108,1.0763856104239444,1.2382481082320564,1.0197337361911052,64.0728328239442,32.03641641197212,50.9368784894149,64.07283282394422,4.928679447995711,32.036416411972205,4.263256414560601E-14,7.494005416219807E-16,5.764619550938313E-17,-45.27543548423047,2000044.951746705,153849.61167282346,18.861284278388492,64.0728328239442,32.03641641197212,50.9368784894149,64.07283282394422,4.928679447995711,32.036416411972205,4.263256414560601E-14,7.494005416219807E-16,5.764619550938313E-17,-45.27543548423047,2000044.951746705,153849.61167282346,18.861284278388492,64.0728328239442,32.03641641197212,50.9368784894149,64.07283282394422,4.928679447995711,32.036416411972205,4.263256414560601E-14,7.494005416219807E-16,5.764619550938313E-17,-45.27543548423047,2000044.951746705,153849.61167282346,18.861284278388492,64.0728328239442,32.03641641197212,50.9368784894149,64.07283282394422,4.928679447995711,32.036416411972205,4.263256414560601E-14,7.494005416219807E-16,5.764619550938313E-17,-45.27543548423047,2000044.951746705,153849.61167282346,18.861284278388492,64.0728328239442,32.03641641197212,50.9368784894149,64.07283282394422,4.928679447995711,32.036416411972205,4.263256414560601E-14,7.494005416219807E-16,5.764619550938313E-17,-45.27543548423047,2000044.951746705,153849.61167282346,18.861284278388492,64.0728328239442,32.03641641197212,50.9368784894149,64.07283282394422,4.928679447995711,32.036416411972205,4.263256414560601E-14,7.494005416219807E-16,5.764619550938313E-17,-45.27543548423047,2000044.951746705,153849.61167282346,18.861284278388492,76.26759927173285,37.86377550273101,62.35106248145681,76.20454864714372,5.861888357472595,37.86377550273101,-0.11709401709405398,0.004427426908950038,3.405713006884645E-4,-7.04591770592861,244.74471460906986,18.82651650838999,7.150280391952703,0,11.850000000000005,12.150156966867167,-0.2098841495067813,0.09030320621208299,6.596824218750001,9.079993030676171,14.0,26.0,20.0,14.0,2.0,6.0,0.0,0.0,0.0,12.0,13.118483999999997,3.843525291189021,3.685571875441715,2.9624196165120646,2.6191819138397183,2.619181913839714,2.5040020518163737,1.8373124814614623,0.9414285011440514,2.023761736660971,1.8870244738094952,1.3519989008679396,1.0822503020169485,1.0822503020169476,0.918665125503828,0.7138896939085808,0.31051397192943453,3.854603471623891,3.697839778084939,2.9846265405512438,2.6458150318986844,2.6458150318986826,2.524959487380964,1.8988298704857927,1.0533366226901497,1.994693232723243,1.8543874697540474,1.287572816754376,1.0071675921888015,1.0071675921888008,0.8448541258699283,0.5962092538458394,0.1501562586141575,3.9047578608240663,3.7536416593416657,3.089475183062731,2.77182021547979,2.771820215479789,2.629049680348233,2.171125304470741,1.5177937868953868,1.9151047015929208,1.7651975878723936,1.1118147076589582,0.7986202314843542,0.7986202314843518,0.6522588843615115,0.22473875999531026,0.3968430827144209,3.8628337965084656,3.7069688741306424,3.0013711243601233,2.6659250192640362,2.66592501926403,2.5410199933252873,1.9444519775260902,1.134811365366185,1.9767533294315442,1.8342522711079137,1.2476795544075174,0.9602789912487936,0.9602789912487932,0.7998400508844156,0.5189392234798179,0.04190290236346211,3.930226228050455,3.7821072526828226,3.1447791051948615,2.838078587645887,2.8380785876458865,2.6871047561448655,2.3010037513525132,1.7214642273785628,1.8917988284481748,1.7391872073426526,1.061792832499602,0.7385642758080629,0.7385642758080604,0.6007718534953344,0.10249020685262149,0.59431110670779,3.8599359019622037,3.7400259584276485,2.969976343445201,2.7257945329458644,2.725794532945862,2.553378328879182,1.9524014920372836,1.2325509188851986,1.984393508792034,1.7950628659154089,1.2574725686905472,0.8868259916190692,0.8868259916190677,0.7631020968707257,0.46338892829208317,0.06942013710344418,0,0,0,10,2,0,1,0,0,0.0,0.0,0.0,0.20412414523193154,0.14433756729740646,0.0,0.0,0.0,0.06415002990995841,0.045360921162651446,0.4082482904638631,0.0,0.0,0.0,0.23570226039551587,0.0,0.0,0.0,0.8130525295851416,1.279039102362461,1.5790848758705678,0.3900166571736666,0.5078677873714244,0.5153552202109201,8.932875131431276,6.449489742783179,5.2437739499032885,4.116156409449846,3.317088374339028,2.6329931618554525,1.231484176176876,0.833333333333333,0.6871442408793289,0.46067783877022705,0.3084572911707817,0.2058078204724923,0.1382120155974595,0.09403547006626616,0.0615742088088438,0.04166666666666665,7.480609473082808,4.528473986232465,3.1479738146036147,2.0938976146188395,1.4274256631424125,0.9502833101872907,0.40499152285265744,0.22680460581325723,0.5754314979294468,0.32346242758803323,0.18517493027080087,0.10469488073094198,0.05947606929760052,0.0339386896495461,0.020249576142632873,0.011340230290662862,16.25096682271525,24.32702112163146,23.352941176470594,23.559999999999995,17.791326946107787,185.36839281437128,0.65003867290861,0.9730808448652585,0.9341176470588237,0.9423999999999998,0.7116530778443115,7.414735712574851,3.089800000000001,54.66900000000003,79.59091319062637,115.98835249108973,159.18182638125276,12.244755875480982,79.59091319062637,5.551115123125783E-16,4.2700885562506023E-17,-45.6655714544159,2000049.405360424,153849.95425849414,18.86128717316912,174,0.0,0.0,0.0,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.803888888888885,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.306388888888889,0.0,0.0,0.0,0.0,4.306388888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0294444444444444,0.0,0.0,21.06555555555555,0.0,0.0,0.0,0.0,2.7383333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3691666666666669,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4222222222222222,0.0,0.0,0.0,0.0,0.4222222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0294444444444444,0.0,0.0,2.0500925925925926,0.0,0.0,0.0,0.0,1.3691666666666669,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1597222222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.44,0.0,0.0,0.0,0.0,0.44,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0294444444444444,0.0,0.0,2.1597222222222223,0.0,0.0,0.0,0.0,1.3691666666666669,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.833333333333336,1.9102564102564104,0.5186111111111111,2.1597222222222223,0.1875,1.0294444444444444,7.342459999999999,0.4705555555555556,0.1597222222222222,2.131111111111111,0.4705555555555556,0.1597222222222222,2.131111111111111,6.5,0.5,0.0,0.0,0.508,0.7,0.44054,0.44054,0.7,0.06746,0.06746,-0.0,0.0,0.71429,0.0,0.0,0.0,0.15385,0.0,19.0,1.46154,7.0,0.53846,12.0,0.92308,5.0,0.38462,0.0,0.0,6.15695,0.47361,15.71889,9.56194,0.73553,2.48511,0.19116,6.44948,3.96436,0.30495,-0.03548,-0.00273,0.13652,0.0105,0.52,40.0,0,0,0,0,0,0,0.07692307692307693,0.9988455359952018,1.8263137138648349,2.2146939516467024,2.9834651896016475,3.363856189774725,3.363856189774725,24.971138399880044,45.65784284662087,55.36734879116756,74.58662974004119,84.09640474436813,84.09640474436813,0.21508967874469348,0.3932752521247714,0.47690838414058173,0.6424542594947104,0.7243670028330286,0.7243670028330286,3.6450106537795226,2.8175424759098897,2.429162238128022,1.6603910001730768,1.2799999999999994,1.2799999999999994,0.19976910719904034,0.365262742772967,0.44293879032934047,0.5966930379203295,0.672771237954945,0.672771237954945,6.3991649747002715,12.899106217032616,17.559669070415023,22.51578039806263,22.899147969984575,22.899147969984575,44.36419973840869,42.20963107493977,38.42460603980085,30.49923288707274,29.283476945927465,29.283476945927468,9.551020408163266,5.024221453287197,3.0,0,6,0,2.8899999999999997,1.4650999999999994,0.0,0.0,0.0,0.0,17.655059942962772,9.650677327690962,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.181,0.184,0.979,1.288,6.566999999999999,17.0,20.0,24.0,28.0,20.0,20.0,20.0,16.0,12.0,204.0,3.044522437723423,3.5553480614894135,4.034240638152395,4.535284058523925,5.029620594007336,4.721841492791785,5.029620594007336,5.432902890880455,5.614495783829436,5.731873776697638,7.272127088409289,7.052006740196078,0.5,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.14285714285714285,2.0,0.14285714285714285,0,4.0,8.0,1.0,1.5,0.44444444444444464,0.375,0.3022222222222223,0.013888888888888895,0.0783673469387755,0.048611111111111105,0.0,0.0,0.0,0.10714285714285714,0.026143790849673214,0.026785714285714284,0.030222222222222227,0.0013888888888888896,0.009795918367346938,0.012152777777777776,0.0,0.0,0.0,0.21363216953448044,41.71068999345715,64.46310845452587,83.4213799869143,6.417029229762639,41.71068999345715,5.551115123125783E-16,4.2700885562506023E-17,-45.6655714544159,2000047.6049427537,153849.81576482722,18.86128600292602,0.0,171.07258923066695,4.700439718141093,4.143134726391533,4.919980925828125,5.720311776607412,6.511745329644728,7.319202458767849,8.11522197256233,8.924922401177469,9.722505098743403,10.53297582498551,92.91000051470836,3.367295829986474,0.0,4.574710978503383,0.0,5.993961427306569,0.0,7.496097345175956,0.0,9.032289682032873,9.278559610953327,168.093900384,6.723756015359999,26.591508901649597,2.0455006847422768,0.0,0.0,0.0,264.0,14.0,4.018,62.0,1.2495547302431496,2.2274420911876285,3.063832701947302,3.9167330010376467,4.749981732599191,5.261734497958144,6.04578773589837,6.956392851024647,7.912604357222499,8.742306207803912,112.98781907730469,154.11830315087943,141.16209999547496,140.93775527304024,204.96762419391203,229.28688333775378,177.64272171282056,103.19199770768928,37.10659346167312,8.882742614726075,372.01463033133865,550.1531653282079,573.7889767180018,602.5650885888443,802.9291512292264,926.9014638000116,847.2741747461822,660.6837184123497,465.1872382454954,271.7436119003119,9.207006950735693,16.245238862538855,22.008619631026303,27.765628738652783,33.73500198755464,37.57976929419441,42.796297856124944,48.42869761531484,54.20666993114045,58.73486953410711,2.631998267450504,4.069379727438694,4.53977879361459,4.949206494616581,6.366231354940715,7.375482275361748,7.228822436359795,6.323278693607456,5.271152806029876,3.8869421581311423,171.83956220195938,317.0211145989054,459.1167171106964,614.5838129637609,742.3270153870844,805.3378629527714,951.2768338562793,1154.552145690556,1379.8529705149465,1616.6067372241155,3.6203221098965015,5.746694907506196,6.715123531816562,7.607837233589023,10.010587217173054,11.993513958523652,12.368857424301329,11.579818527267438,10.533361559448029,8.742306207803912,0.5386972280694639,0.8400853635635043,0.9492716612009894,1.0431617779622393,1.3340497016585866,1.5449566281330251,1.532742281754395,1.3678058800915092,1.1708668772058166,0.8952121556791207,265.9733863385251,183.79288369076502,15.30766636089051,172.77889111779425,-119.3936396290957,-9.338118918168544,93.19449522073083,303.1865233198607,24.645785279059055,0.6062040016761041,0.41889898499515554,0.034889086957308135,0.39379599832389595,-0.27212084304447204,-0.021283351444479317,116.69642899879736,80.63954629958755,6.716273478382198,75.80713197430964,-52.384231301064794,-4.097120942504389,0.0897781726461499,0.0893483335712102,0.0,1.5622958381319634,438.7522774563193,0.0,1.0,0.0,1074.4651453970857,32.77903515049041,10.242298860667857,1192.8327013145927,34.53741017092325,10.605386787713178,1941.53807600921,44.062887740242466,12.475232185662673,1.7790355157881248,1.761594190091358,1240.1515604711146,1037.553156559776,205.965119015847,1.1952655655572346,6.021172742243298,5.037518787246429,4.900311870627606,5.135181677811553,9.297929097404554,0.8106329397418764,4.163600460173107,4.008393713514952,5.592975542121852,12.448474287084384,0.2599002197468463,8.34865987681072,6.4144073941663144,9.162610615382736,5.868311929245074,2.599002317252323,7.59306823208058,4.022347847287643,2.7361599667137724,1.739800258154267,1.648543955976621,0.007447813138983574,0.12696719583967944,0.01872911407944236,3.925070622440122E-22,1.7601906861454485E-63,1.5237677093168084E-126,2.5442314405637498E-211,8.193516E-318,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.34961354305026016,3.2763455313983116,0.46735232618739525,5.815955528727338,0.03252663149324911,2.147392853594182,2.5078301582818145,1.9068834872796787,3.2236285513075975,1.291702944784577,1.7648135111482695,0.36953670138058614,0.9889714309789119,0.05884990560047745,0.05189155595988231,4.0828761452105656E-4,8.942403418078432E-4,1.3191068185286714E-4,2.764459332836472E-24,1.2397166925015883E-65,1.0732020568019639E-128,1.7919230065699884E-213,5.7707E-320,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1281295841507695,3.425766469789988,1.508720756204287,6.415311906475077,0.07856193940477132,2.987975090167055,3.2982927623183445,3.0272907962355324,3.4526824183116323,1.5350122722025357,2.9277994020094895,0.9991334468400825,1.3210964055407604,0.24727724576714977,0.22448277488100848,0.0014608287201751092,0.009318673824565289,0.0013746110085771695,2.8807797657504994E-23,1.2918803762460585E-64,1.1183592875011552E-127,1.8673219308359354E-212,6.01357E-319,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.9301109140630714,3.9635762310813893,5.277461987308616,11.77552546678816,0.24584738230550193,7.818590971516005,6.172789760376629,8.590837259865166,5.596461792183142,2.5106432996486014,7.2268263316781,3.757681374487755,2.6205262884148146,1.5821693203839622,1.4965586532312218,0.006880878888177916,0.11312548563385266,0.01668730345438252,3.4971672594185275E-22,1.5682982116878336E-63,1.3576495957846179E-126,2.266864408363525E-211,7.300274E-318,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.662556440055701,3.5283409528100336,2.225036670910059,7.050772623949084,0.11027552243210152,3.6912676080620055,3.8429850770168725,3.9034971520652486,3.7021984430221213,1.7090255197021522,3.734076130647844,1.4657805802592572,1.5563683405547466,0.4225575083547534,0.38848499165687667,0.002297494422346342,0.02024140476991349,0.002985838795263069,6.25743860009529E-23,2.806136806824491E-64,2.4292258150326393E-127,4.056072757708074E-212,1.30623E-318,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.028107154642648,4.174334968872601,6.763140616931534,15.24315801028442,0.3120827779844411,10.48207043708615,7.311801628275301,11.424490839553398,6.999684366391942,2.9356107702840615,8.959815919452955,5.048891038769687,3.1741458895236385,2.3855720731087686,2.272861873126417,0.00970131004810184,0.1851697225554049,0.02731465269326709,5.724346618518207E-22,2.5670726902539064E-63,2.2222719979525595E-126,3.7105224451897065E-211,1.194947E-317,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2056791029127956,3.1932282308878466,2.9557534189949495,7.045082178491225,0.1450985699764802,4.687501073726932,4.396353051690239,4.884157207295756,4.020975299327949,2.0048848242039066,4.597852450119459,2.029641126835545,1.9129512856811537,0.6426560831524682,0.5953520191060456,0.003309388655056017,0.034794307440593204,0.005132558445985647,1.075633064588339E-22,4.8236566526322736E-64,4.1757590844932505E-127,6.97225534182688E-212,2.245365E-318,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.206554172307873,2.2392414295644074,0.06627986015257248,0.7576216358962528,0.23541039371524666,0.5227024748056045,0.5547912587757038,0.08044664912746535,9.512075462024853,16.763280678553905,27.344928471961683,0.6364324538443791,1.1579403827087735,6.162337668088446,1.2152528673405767,0.010007810191957622,0.8341462786402281,0.16449904427477724,0.3821989598061505,0.163396473466351,0.0018340832035301708,7.38759834562098,7.562632046417884,15.025176866199496,0.7512194179603422,0.5474295164760317,6.490229687473021,1.536805903295532,0.027678558536184505,0.8057678481406124,0.19079583394380115,0.42395337762638924,0.26131044713977,0.014029082008001164,8.054714149304736,10.196400071923579,18.527186344619825,0.7086517722109186,0.6992929067741603,7.169745534974532,2.2031478269565574,0.06429640271769266,0.7597331105740845,0.23345380159774193,0.5173763635657622,0.537050295464182,0.07570386082504503,9.437189764648782,16.39865262143933,26.85146896106539,0.6395996658611268,1.1301305198549894,6.667443282693664,1.710588628035018,0.03722859265947463,0.792303848467818,0.20327221330181044,0.44742127646496965,0.3237528364098926,0.025380269233234838,8.415260503388156,11.71715499473685,20.55701700348739,0.688455772701727,0.7965543821080971,7.327151948672064,2.357495492519194,0.07277828847605061,0.7509308450479892,0.24161039579848034,0.5403438045857776,0.6149354141917855,0.09699488584474289,9.757425729667307,17.978559757261483,28.993137823953738,0.6263962675719839,1.252274104622306,7.183387795275441,2.200343401678182,0.06416985748793103,0.7603157308573271,0.2328922994640993,0.5193470478728186,0.5356838774030439,0.07540598552385777,9.447901054441553,16.408072630643467,26.870237314909875,0.6404735962859905,1.1304369107997203 +UMLCN0110,L,n-dodecylbenzene,CCCCCCCCCCCCC1=CC=CC=C1,Aromatics,,C18H30,NREL (2014),Unknown,PubChem,,68,0,-1.5585000000000004,2.428922250000001,69.6158,51.683789999999966,6,6,48,18,30,0,18,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2627.236097999997,2959.966818000001,3445.3472110000025,3217.6114489999995,2748.4978219999994,2529.5590449999995,2332.802315999999,2136.045586999996,1939.2888579999956,8555.816564415847,11065.402722603496,15021.98068838987,15523.43491714576,13908.674362786214,12734.570273951911,11727.77192899678,10720.973584041647,9714.175239086513,337.28320799999995,349.2582480000002,643.033324000001,884.0522600000024,840.0778160000026,776.394580000002,713.5096800000014,650.6247800000009,587.7398800000004,63.538587145470046,83.60652929999998,122.68570633788583,135.34105953244986,123.63372660244964,113.27433493275166,104.2528060733557,95.23127721395976,86.20974835456383,7829.827970347472,6875.974841007004,13725.925113684782,20435.616969803505,19595.866258394813,18180.501311978936,16701.546156940356,15222.591001901763,13743.635846863166,81.52777777777777,99.66666666666666,159.58333333333334,193.0,177.75,163.33333333333334,151.08333333333334,138.83333333333334,126.58333333333334,54.73408537499994,61.665975375000016,38.28163567777781,25.5365988015873,22.904148516666663,22.78882022522522,22.87061094117646,22.968232118279527,23.086772119047566,178.24617842533016,230.52922338757284,166.91089653766522,123.20186442179174,115.90561968988511,114.72585832389109,114.9781561666351,115.27928584991018,115.64494332245849,7.026733499999999,7.276213500000004,7.144814711111122,7.016287777777797,7.000648466666688,6.994545765765784,6.995192941176484,6.995965376344095,6.996903333333338,1.323720565530626,1.7418026937499995,1.3631745148653982,1.0741353931146815,1.0302810550204138,1.0204895038986637,1.0220863340525068,1.0239922281070941,1.0263065280305217,163.12141604890567,143.24947585431258,152.510279040942,162.18743626828177,163.29888548662345,163.78830010791836,163.74064859745448,163.68377421399745,163.61471246265674,1.6984953703703702,2.076388888888889,1.7731481481481484,1.5317460317460319,1.48125,1.4714714714714716,1.4812091503267975,1.4928315412186381,1.5069444444444446,0.09032201118366183,-0.0010620819535308267,-0.03854251530030751,-0.011845503003936182,-0.004270618745656923,0.006789504449716124,8.94959404331984E-4,5.829588517711681E-5,-4.316716340981193E-7,1361.9926012500002,-1.9539925233402755E-12,-480.48072321875077,-18.916563906249394,-75.66625562499917,13.24159473437578,11.349938343750637,9.458281953125606,7.566625562500462,2532.6834011912515,-2.6290081223123707E-12,-893.474422086919,-35.17615834987889,-140.7046333995139,24.623310844915785,21.10569500992782,17.588079174939857,14.070463339951893,0.26680499999999996,2.069525106840331E-15,-0.09412287499999791,-0.003705624999999919,-0.014822500000000238,0.0025939374999995775,0.0022233749999996007,0.001852812499999623,0.001482249999999674,11.322273204551234,2.2815083156046967E-14,-3.99424638049445,-0.15725379450765822,-0.6290151780306243,0.11007765615535595,0.09435227670458893,0.07862689725382413,0.06290151780305844,61.50276774505123,-8.406608742461685E-13,-21.69680973228268,-0.8542051075700599,-3.4168204302804046,0.5979435752993503,0.512523064542318,0.4271025537852786,0.34168204302823213,6.110532407407398,0.8512731481481469,-0.05157696759259536,0.5136718749999994,-0.5564236111111084,-0.07505063657407098,-0.14286747685184942,-0.21068431712962787,-0.27850115740740633,0.0018817085663262881,-2.2126707365225555E-5,-4.2825017000341675E-4,-9.401192860266811E-5,-3.5588489547141024E-5,6.116670675419932E-5,8.774111807176313E-6,6.268374750227614E-7,-5.138948024977611E-9,28.374845859375004,-4.0708177569589075E-14,-5.3386747024305645,-0.1501314595734079,-0.6305521302083263,0.11929364625563767,0.1112739053308886,0.10170195648522157,0.09007887574405313,52.76423752481774,-5.477100254817439E-14,-9.927493578743546,-0.27917585991967375,-1.172538611662616,0.22183162923347555,0.20691857852870413,0.1891191309133318,0.16750551595180824,0.005558437499999999,4.3115106392506895E-17,-0.0010458097222221991,-2.940972222222158E-5,-1.2352083333333532E-4,2.33688063063025E-5,2.1797794117643142E-5,1.9922715053759388E-5,1.764583333332945E-5,0.23588069176148405,4.753142324176451E-16,-0.044380515338827226,-0.0012480459881560177,-0.005241793150255203,9.916905959941977E-4,9.250223206332248E-4,8.454505081056358E-4,7.488275928935529E-4,1.2813076613552339,-1.7513768213461844E-14,-0.2410756636920298,-0.006779405615635396,-0.028473503585670037,0.005386879056750903,0.005024735926885471,0.00459250057833633,0.004067643369383716,0.12730275848765413,0.017734857253086395,-5.73077417695504E-4,0.004076760912698409,-0.004636863425925903,-6.761318610276664E-4,-0.0014006615377632297,-0.002265422764834708,-0.0033154899691357894,-0.011758838622084896,-0.22758581093112706,-0.04996093990591232,-0.018912859400231897,0.032505940531278324,0.004662843101313109,3.3312144411743507E-4,-2.7310010258445715E-6,-1.4346572232088146E-15,-0.18814814814814845,-0.005291005291005122,-0.022222222222221973,0.0042042042042044515,0.0039215686274512,0.0035842293906812326,0.0031746031746033685,-1.0380326735966337E-15,-0.18814814814814929,-0.005291005291005351,-0.022222222222222213,0.004204204204204348,0.003921568627451116,0.003584229390681128,0.0031746031746032865,7.756695364930685E-15,-0.188148148148144,-0.005291005291005176,-0.022222222222222584,0.00420420420420352,0.003921568627450276,0.003584229390680275,0.0031746031746024764,2.0150620589932372E-15,-0.18814814814814754,-0.0052910052910053644,-0.02222222222222223,0.0042042042042040794,0.003921568627450785,0.003584229390680826,0.0031746031746029742,-1.366866736357262E-14,-0.1881481481481544,-0.005291005291004696,-0.022222222222220797,0.004204204204205899,0.003921568627452698,0.0035842293906826876,0.0031746031746047515,0.1393124348896676,-0.00450168892256236,0.032024136484786185,-0.0364239037787668,-0.005311211391332404,-0.011002601627827777,-0.017795551264935157,-0.026044132967136976,1.2609786123529707,1.277189634027719,0.9554363917862375,0.9199759107938992,0.8518315639237267,0.8808727021564455,0.8995016543118504,0.9177615470174175,1.3055555555555565,1.322962962962964,0.9781305114638454,0.9748148148148156,0.9409409409409416,0.942047930283225,0.9433691756272408,0.9449735449735456,1.3055555555555565,1.3229629629629638,0.9781305114638454,0.9748148148148155,0.9409409409409416,0.9420479302832251,0.9433691756272409,0.9449735449735457,1.3055555555555536,1.3229629629629627,0.9781305114638447,0.9748148148148144,0.9409409409409403,0.9420479302832234,0.9433691756272388,0.9449735449735436,1.3055555555555576,1.3229629629629631,0.9781305114638448,0.974814814814815,0.9409409409409413,0.9420479302832249,0.9433691756272408,0.9449735449735458,1.3055555555555545,1.3229629629629611,0.9781305114638434,0.9748148148148134,0.9409409409409397,0.9420479302832232,0.943369175627239,0.9449735449735439,1.1216971304100785,1.0053729835527372,0.8368216687186302,0.8528459134387741,0.8113176155604429,0.8452003587683785,0.8856410522746243,0.9347476086750656,194.1706612868793,97.08533064343958,157.24847819927405,194.17066128687918,10.787258960382177,97.08533064343958,-1.5631940186722204E-13,0.23476520836153036,0.013042511575640577,-2.6085048797513037,148.04178711419596,8.224543728566442,8.995490242701035,194.1706612868793,97.08533064343958,157.24847819927405,194.17066128687918,10.787258960382177,97.08533064343958,-1.5631940186722204E-13,0.23476520836153036,0.013042511575640577,-2.6085048797513037,148.04178711419596,8.224543728566442,8.995490242701035,194.1706612868793,97.08533064343958,157.24847819927405,194.17066128687918,10.787258960382177,97.08533064343958,-1.5631940186722204E-13,0.23476520836153036,0.013042511575640577,-2.6085048797513037,148.04178711419596,8.224543728566442,8.995490242701035,194.1706612868793,97.08533064343958,157.24847819927405,194.17066128687918,10.787258960382177,97.08533064343958,-1.5631940186722204E-13,0.23476520836153036,0.013042511575640577,-2.6085048797513037,148.04178711419596,8.224543728566442,8.995490242701035,194.1706612868793,97.08533064343958,157.24847819927405,194.17066128687918,10.787258960382177,97.08533064343958,-1.5631940186722204E-13,0.23476520836153036,0.013042511575640577,-2.6085048797513037,148.04178711419596,8.224543728566442,8.995490242701035,194.1706612868793,97.08533064343958,157.24847819927405,194.17066128687918,10.787258960382177,97.08533064343958,-1.5631940186722204E-13,0.23476520836153036,0.013042511575640577,-2.6085048797513037,148.04178711419596,8.224543728566442,8.995490242701035,230.21714777612334,114.5340258672283,188.104634874275,230.0015099160411,12.777861662002284,114.5340258672283,-0.32345679012335893,0.2994247281836194,0.01663470712131219,-2.170605992298336,134.12193679148172,7.451218710637873,8.81774885201316,0,11.85,12.150236622295475,-0.21004416953187033,0.09022023294831223,5.127305401281681,8.757775166834326,18.0,48.0,45.0,42.0,12.0,3.0,0.0,0.0,0.0,6.0,32.796209999999995,3.785298223255555,3.524468071680138,3.390732548988854,3.1938764477933743,2.9583782367885005,2.7105259235161197,2.61918191383972,2.4554663487756563,1.9966083965857282,1.9289302043408467,1.828430438945104,1.6845211720160425,1.509049644991814,1.318587212650975,1.133027429144815,1.0822503020169487,3.7976805117983896,3.5525193033965055,3.4208257090148733,3.2270939982965494,2.99457444411716,2.749225520487734,2.6458150318986866,2.501035496258094,1.960279247921365,1.8718462422216018,1.7660115367884017,1.6139986713780952,1.4291432889740807,1.2288840194139343,1.0342198521025396,1.0071675921888026,3.8544028462897773,3.6747348117885767,3.552469117275645,3.3737488443112396,3.1574377628636254,2.9259989489553204,2.7718202154797944,2.7013981933699798,1.8662626943007599,1.6989005269899515,1.5785737621503761,1.40301264361703,1.19034971328659,0.9622759691481002,0.7986202314843529,0.7414778982388397,3.8069113202887745,3.5731252447163135,3.442965857993547,3.2516198453309944,3.02149455966136,2.7781276817445337,2.665925019264035,2.53460100826783,1.9385292787032629,1.834925847557412,1.7258694810991853,1.5687190636797779,1.3778101325741874,1.1712799544017398,0.9708899733452815,0.9602789912487913,3.88371338627955,3.7335407599292014,3.6160252066352685,3.4450642222525003,3.237787135166097,3.0148372801032925,2.838078587645887,2.7992775960774354,1.839631888341904,1.6439481120234696,1.5192421526264919,1.3365707199548897,1.115780206037562,0.8803369767244728,0.7385642758080584,0.6505956991518779,3.9447352071602535,3.5318090226379404,3.424316947208799,3.2556654419200926,3.0484695374183888,2.859953855450306,2.8272723046081882,2.5919623386051045,1.882696308217879,1.81607545841241,1.6991702290642194,1.5320185114987668,1.3271527010985829,1.1045577828239748,0.8864078872753177,0.7654930711705452,0,0,0,5,1,1,11,0,0,0.0,0.0,0.0,0.10206207261596577,0.07216878364870323,0.0,0.0,0.0,0.032075014954979206,0.022680460581325723,0.20412414523193154,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.4330127018922194,0.6123724356957946,0.6495190528383291,0.21941609682128765,0.2730017401615745,0.25598544629150227,12.891058768174391,8.931851652578137,6.474691494688165,4.690670697680657,3.396264369941974,2.4577077845361237,1.360798358377328,0.8997297470361303,0.7161699315652439,0.4962139806987854,0.340773236562535,0.23453353488403286,0.1617268747591416,0.11171399020618744,0.08004696225748988,0.05623310918975814,12.164925939000156,7.97134377430278,5.417579074992953,3.661829882562212,2.461238250150747,1.6445962951667707,0.9837950026530755,0.6331481176734272,0.675829218833342,0.44285243190571,0.2851357407891028,0.1830914941281106,0.11720182143574986,0.07475437705303503,0.05787029427371032,0.0395717573545892,26.12741705678807,46.31755280407871,43.882352941176435,44.40000000000002,29.978317365269504,365.65191017964077,0.5443211886830848,0.9649490167516398,0.9142156862745091,0.9250000000000004,0.6245482784431147,7.617748128742516,6.150000000000007,81.99000000000007,124.03729293345862,191.25050655548594,248.07458586691726,13.781921437050958,124.03729293345862,0.15472105471437014,0.00859561415079834,-3.3590365746787914,172.75996992642087,9.597776107023382,9.273425713227493,419,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,12.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,11.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.373050165389632,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9371536387493216,0.0,2.855569810796732,0.0,0.0,1.9371536387493216,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2844607057982227,0.0,15.509155795478812,0.0,0.0,10.87576718631466,0.0,0.0,0.0,0.0,1.497282979074972,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.497282979074972,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.36850104024986435,0.0,0.2072290950712139,0.0,0.0,0.36850104024986435,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2844607057982227,0.0,1.26125,0.0,0.0,2.099247919500271,0.0,0.0,0.0,0.0,1.497282979074972,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2437802324254412,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.409816144416531,0.0,0.35930555555555554,0.0,0.0,0.409816144416531,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2844607057982227,0.0,1.4570290340271401,0.0,0.0,2.2437802324254412,0.0,0.0,0.0,0.0,1.497282979074972,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,30.166666666666668,1.675925925925926,0.409816144416531,2.2844607057982227,0.10727655045394596,1.26125,12.013611102848696,0.23875000000000002,0.28446070579822247,2.320455784225764,0.23875000000000002,0.28446070579822247,2.320455784225764,9.0,0.5,0.0,0.0,0.45,0.7,0.43333,0.43333,0.7,0.01667,0.01667,-0.0,0.0,0.71429,0.0,0.0,0.05556,0.05556,0.0,15.0,0.83333,9.0,0.5,6.0,0.33333,-3.0,-0.16667,0.0,0.0,18.45089,1.02505,23.96922,5.51834,0.30657,6.94966,0.38609,8.93185,1.98218,0.11012,-0.01785,-9.9E-4,0.06815,0.00379,0.125,18.0,0,0,0,0,0,0,0.6666666666666666,0.954434002924965,1.9904840290104198,2.7608379720438436,3.480388542207534,3.931127542695028,4.175556574587756,45.81283214039832,95.54323339250016,132.5202226581045,167.05865002596164,188.69412204936134,200.42671558021232,0.1708935382827949,0.3564006076591202,0.4943342003974693,0.6231713358430123,0.7038771598175319,0.7476427234826712,4.630528497796192,3.594478471710737,2.8241245286773133,2.104573958513623,1.653834958026129,1.4094059261334007,0.16825853940516455,0.35090528460240805,0.48671208620690154,0.6135626883363965,0.6930241132673478,0.7361148579060026,6.794779896422575,14.761655089521918,18.761042146952875,22.061394975667522,23.604547593610345,24.481768570518884,70.02286694165512,54.532759039076886,44.319646829127365,35.151379172195526,30.20444734974818,27.659723105567817,16.055555555555557,12.055401662049862,9.6,12,6,12,3.44,2.4072000000000036,0.0,2.360658270728802,0.08333333333333334,0.0,27.653796761462726,4.587741322060093,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.13299999999999998,0.124,0.553,0.664,8.909,19.0,20.0,21.0,22.0,17.0,16.0,15.0,14.0,13.0,193.0,3.091042453358316,3.349904087274605,3.657130755799356,4.000491653415755,4.3686564001107095,3.8620446356219045,3.840795496139778,3.819085009768877,3.796892698174515,3.7741966885207425,6.130410939621436,2.3762953367875648,0.4666666666666667,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.0,0.6111111111111112,12.0,0.6666666666666666,2,8.0,15.0,0.875,1.0,0.44444444444444464,0.1875,0.1511111111111111,0.09027777777777776,0.06040816326530612,0.043402777777777776,0.032753842277651796,0.025625000000000002,0.020610141822263034,0.05555555555555555,0.023391812865497085,0.011029411764705883,0.010793650793650795,0.006944444444444443,0.005034013605442177,0.003945707070707071,0.0032753842277651797,0.0028472222222222223,0.0025762677277828792,0.14114291489834677,102.37019254693251,163.65299438452936,204.74038509386514,11.374465838548062,102.37019254693251,0.14984492286309348,0.008324717936838526,-3.416677861057726,261.6782250884929,14.53767917158294,10.020808080812596,0.0,288.71834716320103,5.169925001442312,4.31748811353631,5.030437921392435,5.75890177387728,6.48768401848461,7.226209010100671,7.96311205897929,8.707978826622321,9.450380370950123,10.20006742192352,101.14225951586657,3.6109179126442243,0.0,4.727387818712341,0.0,6.013715156042802,0.0,7.3833681469923835,0.0,8.800415333145924,9.08466376388818,246.23475095999999,5.129890645,35.70849013329405,1.983805007405225,0.0,0.0,0.0,889.0,17.0,8.628,74.0,1.2430896612700209,2.1631415644157204,2.90665804089791,3.6764997868090794,4.8933931788133975,5.89716440595728,7.1543510295094,8.266610973836631,9.511094187325954,10.652673837056726,87.56669751793235,91.01294495364795,86.30788799232558,104.54791623010684,130.68247355894908,158.18516918125783,186.29264893131383,214.73060498952813,243.71624603818177,273.29069791137925,312.06017127779126,383.30350847291,389.9015085375583,490.937884479113,616.543844723421,750.7163268381663,890.0295425746859,1029.7393113577848,1172.3021093470418,1315.7626401164398,9.079897402741176,15.500913641619665,20.455078199409634,25.91184433651844,34.35365201676373,41.44103953022284,50.209754120026965,58.03015444975616,66.72621457734107,74.74873704448758,2.3035276490722123,3.080951298855108,3.3079461818847777,4.203854492408692,5.331445769214839,6.489493447078676,7.732151975561095,8.951066316805713,10.213670194750833,11.461970846915417,175.89839122101975,326.68741682406664,467.1886261246261,587.4590428092041,792.3533910411505,951.6352210979315,1159.5267468095499,1338.5840503852648,1543.1483465984245,1727.276950485153,2.657156729609338,3.929801345944098,4.574880563771661,5.736561639803629,7.413735570638652,9.050272815487737,10.952462716347796,12.787215985660751,14.802595814307066,16.825255608559416,0.4753019969643871,0.6460488897223702,0.7016713388931053,0.8926302195390581,1.134677210167366,1.3807611568248288,1.64685046107384,1.9065114275438486,2.176465586221728,2.4423150818214707,549.9983640645772,534.3681111113932,18.73784016462374,88.87388902418759,-86.3482063001238,-5.24966801251794,461.12447504038965,620.716317411517,23.98750817714168,0.8608894210156915,0.8364240402175489,0.02932955700303407,0.13911057898430823,-0.13515723351993278,-0.008217085633532047,351.37869404507126,341.39295912452326,11.971086163990323,56.779061721643586,-55.165473109133586,-3.3538672311253555,0.06384312568837708,0.06718560853692015,1.5549871196444214,0.6930301457960165,638.872253088765,0.0,1.0,0.0,1223.53677701403,34.979090568710184,10.69561288985431,1515.2094209356862,38.92569101423488,11.485702258808058,2141.5502560267455,46.27688684458739,12.889698435971395,3.893352255434695,3.893352255434695,7895.818448334162,7844.74108254573,218.11257646571448,1.0065110327098084,36.20065645125842,35.96647753954188,7.796289763562639,9.770048772043971,18.753206519456587,0.9194588437590029,8.775427897691047,12.306529895646056,6.444379906191224,56.586848064770685,21.474687680569794,4.386328457358293,10.649821131845135,12.142152194930283,39.208963514548884,3.2469001616309034,4.52164226965236,35.328388317638186,6.875242781651853,38.48094257411027,4.60339412945616,3.610386486645613,18.611478746636188,8.74995582591096,29.559586893407573,4.405695324467238,5.973960108341888,9.735363883049635,7.670684656850782,13.798386304393754,5.100730368711619,5.487389290120284,3.9775988932215367,6.594175477493956,2.190391380318795,5.576677897845251,0.7365704623411021,12.306005392080118,0.49823340981180714,13.248021547278347,1.0869883305339827,1.167505682329833,1.4226615168858485,1.6317365450674368,10.088574668460495,0.4744100424214056,1.2977796597023077,3.024607960316798,1.2126603419881956,7.787094438040099,1.2121246923464328,0.4118443885508908,1.780631434817018,1.2514828947246324,5.051463225826982,0.43590673322952944,0.5155633642486246,1.247178658479943,1.1337019441926286,2.4747369126941194,0.2736657410277487,0.872789903080151,1.1331505067906553,1.2305840472545166,0.45390064483690884,0.39026558657166294,2.3774726472550336,12.306041501423168,1.6357865247997105,16.33835748426084,2.5451876596537644,1.5759757814114757,3.2451922454896978,3.0003816360187385,14.003278078266222,0.8339309266881904,1.7921087349426055,8.393066640807898,1.8351108833457388,12.588246286548403,1.6687991749373607,0.9868764676907362,3.873245381719072,2.2735534886146858,8.692612953829954,1.0112554251169397,1.3132065857370847,2.1649270604054314,1.9134699476347103,4.211038725638326,0.9375551677687692,1.5475552805484463,1.5738482697369247,1.936520504265244,0.6686175446716944,1.2418626650955542,8.283294805834743,12.306472685086604,6.053410356588334,51.89737899537299,19.270206435069184,4.101342050106923,10.063386276466474,11.22392195650551,36.70830365138273,3.004151597587501,4.26635745559302,32.917256931342706,6.339883139550033,36.08393111705339,4.312451167016801,3.387030254226529,17.106025437221252,8.111004469135912,27.57757031466942,4.079543182505137,5.527822462021524,8.927448841346944,7.074306929587788,12.901710532971535,4.691514111700395,5.110369958193317,3.753966581830083,6.1282449498945795,2.034650028805555,5.185918397040803,3.5039005552676175,12.306087356774555,2.4393011341967443,20.1688643956676,4.348880742194025,1.93018038312727,4.51439361472547,4.170548168557652,17.293166781278618,1.1420162016746884,2.1800649783349364,12.442201228641041,2.420782134786509,16.318813138399097,2.05223331600165,1.40473577914293,5.70850024076298,3.126165278713708,11.596399927593621,1.475981660375716,1.954748531558345,3.0368846838281995,2.6134194101793247,5.573713525117019,1.4887299179627556,2.0900896746656996,1.9179170669022685,2.5365923222199567,0.857505034254697,1.8879378349505624,10.597575225345981,12.306770220700766,7.922564691741273,76.26190377859426,30.722765463526216,5.541345467233387,12.845599250315596,15.853949016354214,49.282937621986655,4.228596088407212,5.532613401906652,44.74794868913315,9.071693704080186,47.9440973094811,5.7752420531762185,4.468647971929191,24.724913419376083,11.319968290695183,37.444975949056676,5.707671563433113,7.752950191122382,13.054023595358782,10.101560062863461,17.34937536273938,6.744979532116249,6.9906389788778,4.861809059645491,8.475512928766676,2.8231608181989203,7.106655518854498,5.156484970659404,10.664803030035907,3.7870305753071416,27.30068347290826,8.411433151807639,2.8189762778430727,6.277800344337788,6.4979416693979095,21.427539539567938,1.7038905054672422,2.946975163796685,18.204550638102603,3.6229860091970982,21.082665569720582,2.9217862560796553,2.2361997791319577,9.312042158778377,4.799506975000021,15.727894208106905,2.417400098370271,3.207810636431148,4.89472420485719,4.113076593530536,7.770870031599327,2.5393309959619197,3.0711685000472846,2.6521363406333633,3.836705658417279,1.3174006574234511,3.190499503554421,31.494905599355192,1.0461437604950385,0.7701490247770768,0.9454750092056036,0.03140516736791494,0.5673361899397891,0.4135249823805056,0.41098100938880877,33.31119838462731,58.009656409857065,116.69587810720465,0.9182125138084053,1.3918421817091033,32.26844928429525,0.5467385852785934,0.3391478886484178,0.9732799209012258,0.01649071147935764,0.5953536468251998,0.12007792171305566,0.08097788615495999,33.15433575822227,28.771607992396763,67.90932860161442,0.9599198813518389,0.7964094546932154,31.977716902513137,0.7342350595454793,0.5012075327873559,0.9628026176635033,0.02210675138146427,0.584720370467825,0.21135260254038835,0.17592440908673687,33.21315949484597,39.87463760960711,84.8557293980507,0.9442039264952549,0.9719973820949502,31.515807994431164,1.0326294827538107,0.7585069746176826,0.946223333096094,0.031003428856948845,0.5680816530598399,0.40353676591943166,0.39884640001739186,33.30694445180266,57.23236934721024,115.22428045924462,0.9193349996441409,1.3704648189966635,31.841387118036437,0.8222494143423229,0.5771601962785808,0.9579008402823733,0.024736152416992174,0.5797768068565197,0.26223619499996315,0.2326252480599973,33.240796728657344,45.03371278185259,93.38546492116488,0.9368512604235599,1.0746382499164802,31.428833392800275,1.0888676902705139,0.8069497952192537,0.9431106572604836,0.03267454156526143,0.5649840763138915,0.4457992882644191,0.45048462862172717,33.32465087829004,60.46199345430011,121.40195210057715,0.9146659858907253,1.4612679932000379,31.64504087642254,1.036024207236135,0.7610552188875362,0.9462629937974704,0.03097962084531029,0.5727407708940824,0.40543254477448776,0.4013208196051946,33.44212030254621,57.657123527672425,116.05046078548352,0.9193944906962055,1.3794941352737649 +UMLCN0111,L,n-tetradecylbenzene,CCCCCCCCCCCCCCC1=CC=CC=C1,Aromatics,,C20H34,NREL (2014),Unknown,PubChem,,72,0,-2.134499999999999,4.556090249999997,75.439,57.870961999999956,6,6,54,20,34,0,20,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2919.828595999997,3296.923412000002,3832.7642850000043,3611.124907000001,3142.0112799999997,2923.0725029999994,2726.3157739999997,2529.5590449999995,2332.802315999999,9527.185345638247,12371.382991584233,16849.074911714517,17537.031607055953,15922.271052696473,14748.166963862166,13741.36861890704,12734.570273951911,11727.77192899678,379.2380959999998,392.8098080000003,728.4923400000009,1009.8220600000025,965.8476160000026,902.1643800000029,839.2794800000025,776.394580000002,713.5096800000014,70.89483876486594,93.63850653999995,138.06108662758405,153.38411725124237,141.676784321242,131.3173926515437,122.29586379214763,113.27433493275166,104.2528060733557,8823.087290624468,7742.053744038605,15574.329511616474,23393.52727988066,22553.77656847197,21138.41162205609,19659.456467017513,18180.501311978933,16701.546156940356,90.02777777777777,110.16666666666666,178.08333333333331,217.5,202.25,187.83333333333334,175.58333333333334,163.33333333333334,151.08333333333334,54.07089992592587,61.05413725925929,37.57612044117651,25.07725629861112,22.768197681159418,22.659476767441856,22.719298116666664,22.78882022522522,22.87061094117646,176.42935825256012,229.09968502933765,165.18700893837763,121.78494171566633,115.37877574417735,114.326875688854,114.51140515755866,114.72585832389109,114.9781561666351,7.0229277037037,7.27425570370371,7.142081764705892,7.012653194444462,6.998895768115961,6.993522325581417,6.993995666666688,6.994545765765784,6.995192941176484,1.3128673845345544,1.7340464174074066,1.353540064976314,1.0651674809114053,1.026643364646681,1.017964284120494,1.019132198267897,1.0204895038986637,1.0220863340525068,163.3905053819346,143.37136563034454,152.68950501584777,162.45505055472682,163.43316353965196,163.86365598493094,163.8288038918126,163.7883001079183,163.74064859745448,1.6671810699588476,2.0401234567901234,1.7459150326797384,1.5104166666666667,1.4655797101449275,1.4560723514211886,1.4631944444444445,1.4714714714714716,1.4812091503267975,0.09876711671141877,-0.0010620819535308267,-0.04276506806418583,-0.011845503003914699,-0.0042706187433528215,0.006789504595008964,8.949650567048003E-4,5.843486266645997E-5,1.7461981467212055E-6,1524.5349281481458,1.5916157281026244E-12,-561.4872104650191,-16.441062950617525,-75.72853237860122,12.455350720164251,10.96070863374452,9.466066547324647,7.971424460904917,2834.937798864282,-6.934897101018578E-12,-1044.1094442222438,-30.57285861520216,-140.82043968214646,23.161256526670677,20.38190574346998,17.602554960269735,14.823204177069492,0.29864592592592565,-5.771425004574837E-15,-0.10999148971193953,-0.003220691358024306,-0.014834699588476129,0.002439917695474709,0.0021471275720176992,0.0018543374485608284,0.0015615473251039576,12.673490994394806,2.731148640577885E-14,-4.667655016563049,-0.13667490288074677,-0.6295328859961007,0.10354159309144614,0.09111660192047308,0.07869161074950001,0.06626661957852717,68.84260422491327,-1.0902390101819037E-12,-25.354776131202712,-0.7424202416411898,-3.419632628165453,0.5624395770011326,0.4949468277609945,0.4274540785208636,0.35996132928073266,6.484053497942383,0.9171810699588442,-0.15249199817101522,0.5903635116598076,-0.5168609967992696,-0.042152491998170755,-0.09573616826703236,-0.14931984453589398,-0.2029035208047556,0.0018290206798410884,-1.966818432464494E-5,-4.192653731782924E-4,-8.226043752718541E-5,-3.094651263299146E-5,5.263181856596096E-5,7.458042139206669E-6,5.264402042023421E-7,1.711958967373731E-8,28.232128299039736,2.9474365335233784E-14,-5.5047765731864615,-0.11417404826817726,-0.5487574810043566,0.0965531063578624,0.09133923861453767,0.08527987880472655,0.07815122020495016,52.49884812711633,-1.284240203892329E-13,-10.236367100218077,-0.21231151816112612,-1.0204379687112062,0.1795446242377572,0.1698492145289165,0.15858157621864627,0.1453255311477401,0.005530480109739364,-1.0687824082545995E-16,-0.0010783479383523484,-2.2365912208502125E-5,-1.0749782310489948E-4,1.8914090662594642E-5,1.7892729766814162E-5,1.6705742779827283E-5,1.5309287501019192E-5,0.23469427767397788,5.057682667736824E-16,-0.04576132369179459,-9.491312700051859E-4,-0.004561832507218121,8.026480084608229E-4,7.593050160039424E-4,7.089334301756758E-4,6.496727409659527E-4,1.2748630412020976,-2.0189611299664883E-14,-0.24857623658041875,-0.005155696122508263,-0.02477994658090908,0.004359996720939012,0.004124556898008288,0.0038509376443321046,0.0035290326400071828,0.12007506477671079,0.016984834628867487,-0.001495019589911914,0.004099746608748664,-0.0037453695420236926,-3.267635038617888E-4,-7.978014022252697E-4,-0.0013452238246476934,-0.0019892502039681923,-0.010753396362010394,-0.22922943288684938,-0.044975127090598276,-0.01691971718749522,0.02877595597800119,0.0040776149889429625,2.878262722803555E-4,9.359976003784014E-6,1.044000828525432E-15,-0.1949826989619375,-0.004044117647058889,-0.019437340153452817,0.003419972640218785,0.0032352941176469648,0.003020667726549939,0.0027681660899652517,-2.44622548819124E-15,-0.19498269896193896,-0.004044117647058707,-0.019437340153452564,0.00341997264021913,0.0032352941176472627,0.003020667726550306,0.00276816608996565,-1.932530968464089E-14,-0.19498269896194742,-0.004044117647058343,-0.01943734015345108,0.0034199726402209243,0.0032352941176489276,0.0030206677265519678,0.0027681660899673095,2.1550089409349083E-15,-0.19498269896193748,-0.00404411764705937,-0.01943734015345327,0.0034199726402183933,0.003235294117646617,0.0030206677265496875,0.002768166089965074,-1.583669041078141E-14,-0.19498269896194537,-0.0040441176470586504,-0.019437340153451697,0.003419972640220138,0.0032352941176482367,0.0030206677265512123,0.0027681660899664773,0.14145180483934902,-0.012450708169027623,0.03414319714399048,-0.03119190107445295,-0.002721326900547018,-0.00664418881396271,-0.011203190497121488,-0.016566721889072995,1.2817671895107903,1.2954235812428054,0.9565347049259825,0.9234863217383756,0.8612586473033941,0.8854259863827102,0.8996590047266217,0.9126901226424734,1.325000000000003,1.3410467128027712,0.9791360294117669,0.9759590792838898,0.9461696306429571,0.9469852941176493,0.9479332273449942,0.9490484429065765,1.3250000000000008,1.341046712802769,0.9791360294117653,0.9759590792838879,0.9461696306429553,0.9469852941176475,0.9479332273449927,0.9490484429065751,1.324999999999999,1.3410467128027694,0.9791360294117656,0.9759590792838883,0.9461696306429553,0.9469852941176473,0.947933227344992,0.9490484429065741,1.3250000000000008,1.3410467128027672,0.9791360294117641,0.9759590792838867,0.9461696306429542,0.9469852941176466,0.9479332273449917,0.9490484429065742,1.3249999999999993,1.3410467128027668,0.9791360294117637,0.9759590792838865,0.9461696306429539,0.9469852941176462,0.9479332273449912,0.9490484429065735,1.1352637842126148,1.0228504095013653,0.8348919079730269,0.8473345635789805,0.8052452422903431,0.8315807219357403,0.862186819902013,0.8981939939799806,245.65560421869773,122.82780210934882,198.70630953671449,245.6556042186976,12.282780210934881,122.82780210934882,-8.526512829121202E-14,0.21124245813523862,0.010562122906761931,-3.1094974290342394,195.5491171793366,9.77745585896683,10.551623173278463,245.65560421869773,122.82780210934882,198.70630953671449,245.6556042186976,12.282780210934881,122.82780210934882,-8.526512829121202E-14,0.21124245813523862,0.010562122906761931,-3.1094974290342394,195.5491171793366,9.77745585896683,10.551623173278463,245.65560421869773,122.82780210934882,198.70630953671449,245.6556042186976,12.282780210934881,122.82780210934882,-8.526512829121202E-14,0.21124245813523862,0.010562122906761931,-3.1094974290342394,195.5491171793366,9.77745585896683,10.551623173278463,245.65560421869773,122.82780210934882,198.70630953671449,245.6556042186976,12.282780210934881,122.82780210934882,-8.526512829121202E-14,0.21124245813523862,0.010562122906761931,-3.1094974290342394,195.5491171793366,9.77745585896683,10.551623173278463,245.65560421869773,122.82780210934882,198.70630953671449,245.6556042186976,12.282780210934881,122.82780210934882,-8.526512829121202E-14,0.21124245813523862,0.010562122906761931,-3.1094974290342394,195.5491171793366,9.77745585896683,10.551623173278463,245.65560421869773,122.82780210934882,198.70630953671449,245.6556042186976,12.282780210934881,122.82780210934882,-8.526512829121202E-14,0.21124245813523862,0.010562122906761931,-3.1094974290342394,195.5491171793366,9.77745585896683,10.551623173278463,287.9424851491009,143.3719856993627,234.66241755593063,287.70292959354504,14.385146479677255,143.3719856993627,-0.3422222222225173,0.2689869263469862,0.01344934631734931,-2.6261850030038674,168.83899013296966,8.441949506648482,10.257891079378341,0,11.849999999999998,12.150270128051396,-0.21004417002895123,0.09025579926188773,5.127069808720475,8.7582375259615,20.0,54.0,51.0,48.0,14.0,3.0,0.0,0.0,0.0,6.0,37.16903799999999,3.785298535243547,3.5362564510325023,3.4325061707316653,3.275306866881679,3.079477032360987,2.8627497590027864,2.639981850911885,2.6191819138397188,1.9967342667370356,1.939132915161058,1.8595653289293164,1.744027166222939,1.5999589011913744,1.4374964434159896,1.269237465718287,1.1088382803472832,3.797680933074058,3.564161543979106,3.461937554450184,3.307267519503206,3.1143776091986997,2.9001698552468853,2.680512255355347,2.645815031898685,1.960319384232541,1.8821208901302207,1.7987417216900958,1.676804662700556,1.5249372732742545,1.3538714944007308,1.1767756978177257,1.0081595436851354,3.8544046508306833,3.685747390250823,3.590499338725258,3.44771272047484,3.2694551065194117,3.0695398995535617,2.8640717906190716,2.7718202154797944,1.866265184377733,1.7097959033148022,1.6159685598852662,1.4756520821095918,1.3005260618794117,1.1039174547321866,0.9015749966761671,0.7986202314843521,3.806911849282621,3.584659631884484,3.4835785661967735,3.3308220738466825,3.1402113178440385,2.9280581377730623,2.7106744134310454,2.6659250192640336,1.9385496999757181,1.8452870725441741,1.7596102650604843,1.6336495657828767,1.4767591079037699,1.3001209030005196,1.117359132194589,0.9602789912487931,3.8837174337926754,3.7442766360230855,3.652500080166947,3.515772291342345,3.345214904650727,3.1535214080582272,2.9558755083375634,2.8380785876458865,1.8396331075708092,1.655115139187628,1.5580721717699344,1.4121860243429107,1.2300266619618347,1.0260858108587745,0.8168174993811002,0.7385642758080654,3.956445657259383,3.5488930853536806,3.4651835862277687,3.331024368837462,3.1589589287890285,2.9669159622377386,2.8715819519800108,2.7659791836934113,1.8777003671004115,1.8234928088626656,1.730582378652844,1.5973865117692019,1.4299023959912351,1.2401076400255033,1.0426328560535993,0.8524494446618198,0,0,0,5,1,1,13,0,0,0.0,0.0,0.0,0.10206207261596577,0.07216878364870323,0.0,0.0,0.0,0.032075014954979206,0.022680460581325723,0.20412414523193154,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.4330127018922194,0.6123724356957946,0.6495190528383291,0.21941609682128765,0.2730017401615745,0.25598544629150227,14.305272330547487,9.931851652578137,7.181798275874713,5.190670697680657,3.749817760535248,2.7077077845361237,1.537575053673965,1.0247297470361303,0.7152636165273744,0.4965925826289069,0.34199039408927207,0.2359395771673026,0.16303555480588033,0.11282115768900515,0.08092500282494552,0.056929430390896124,13.579139501373252,8.971343774302783,6.124685856179501,4.161829882562212,2.8147916407440206,1.894596295166771,1.160571697949712,0.7581481176734272,0.6789569750686626,0.4485671887151391,0.2916517074371191,0.18917408557100962,0.12238224524974002,0.07894151229861546,0.06108272094472169,0.04211933987074595,29.21107266435981,52.09322651128922,49.33333333333328,49.92000000000004,33.57542634730544,411.7084203592815,0.5409457900807373,0.9646893798386892,0.9135802469135792,0.9244444444444452,0.6217671545797303,7.624230006653361,6.930200000000007,91.22400000000007,150.7743999460196,233.3532305588079,301.54879989203926,15.07743999460196,150.7743999460196,0.14237155164081988,0.0071185775820409945,-3.898630155531473,201.26602791713213,10.063301395856607,10.60925510990338,527,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,14.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,13.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.396958012437304,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9276584058794852,0.0,3.2674516649817607,0.0,0.0,1.9276584058794852,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2894794009817527,0.0,18.48022925324761,0.0,0.0,10.897347594826103,0.0,0.0,0.0,0.0,1.4996104176112017,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4996104176112017,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.36641336663875324,0.0,0.2055659448556111,0.0,0.0,0.36641336663875324,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2894794009817527,0.0,1.262171201814059,0.0,0.0,2.1029311483065,0.0,0.0,0.0,0.0,1.4996104176112017,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.248553475055827,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4081794875751452,0.0,0.35930555555555554,0.0,0.0,0.4081794875751452,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2894794009817527,0.0,1.4662769573084258,0.0,0.0,2.248553475055827,0.0,0.0,0.0,0.0,1.4996104176112017,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,33.16666666666667,1.6583333333333337,0.4081794875751452,2.2894794009817527,0.10488992913875322,1.262171201814059,13.45475461566471,0.23782879818594105,0.2894794009817528,2.3736539916157122,0.23782879818594105,0.2894794009817528,2.3736539916157122,10.0,0.5,0.0,0.0,0.44815,0.7,0.43333,0.43333,0.7,0.01481,0.01481,-0.0,0.0,0.71429,0.0,0.0,0.05,0.05,0.0,16.0,0.8,10.0,0.5,6.0,0.3,-4.0,-0.2,0.0,0.0,21.84788,1.09239,27.52099,5.67311,0.28366,7.94966,0.39748,9.93185,1.98218,0.09911,-0.01785,-8.9E-4,0.06815,0.00341,0.1111111111111111,20.0,0,0,0,0,0,0,0.7,0.9509560484549726,1.9193267648259298,2.6367801605904106,3.3113997817546883,3.757215224738891,4.038757234329079,51.351626616568524,103.64364530060021,142.38612867188218,178.81558821475318,202.8896221359001,218.09289065377027,0.16524320381544802,0.3335124733723093,0.4581810086816033,0.575406518461015,0.6528737917685479,0.7017960355977011,4.803931453708497,3.8355607373375395,3.1181073415730585,2.443487720408781,1.997672277424578,1.71613026783439,0.1630334270225645,0.32905245258610855,0.4520538110931605,0.5677116787241314,0.6441429918299113,0.6924110045828493,6.792227134713073,14.243252720186803,17.949478847587724,21.06682469832183,22.68360705454659,23.835461703275087,77.97491639774505,61.73091564769644,51.62898482582751,42.34567803721268,36.70738099710529,32.75239277385947,18.05,13.959183673469388,11.380165289256198,14,6,14,3.66,2.6890000000000027,0.0,2.3895693091984493,0.07142857142857142,0.0,31.833027791371713,4.479105658160493,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.13299999999999998,0.124,0.553,0.664,9.907,21.0,22.0,23.0,24.0,19.0,18.0,17.0,16.0,15.0,215.0,3.1780538303479458,3.417726683613366,3.7074558396868715,4.036450583803198,4.393677251893857,3.903234499395067,3.882851628127866,3.8620446356219045,3.840795496139778,3.819085009768877,6.1771658029463214,2.23546511627907,0.47058823529411764,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,0.65,14.0,0.7,2,9.0,17.0,0.8888888888888888,1.0,0.44444444444444464,0.1875,0.1511111111111111,0.09027777777777776,0.06040816326530612,0.043402777777777776,0.032753842277651796,0.025625000000000002,0.020610141822263034,0.05,0.021164021164021173,0.009868421052631578,0.009444444444444445,0.006018518518518518,0.004314868804664722,0.0033386752136752135,0.002729486856470983,0.002329545454545455,0.0020610141822263034,0.12671506724491813,128.30228744987218,205.2545864677746,256.60457489974436,12.830228744987219,128.30228744987218,0.13653344582637833,0.006826672291318917,-3.9823713400032377,341.0130892072855,17.050654460364274,11.663841722637876,0.0,323.31031641493496,5.321928094887363,4.418840607796598,5.1298987149230735,5.855071922202427,6.580639137284949,7.315218389752975,8.048468743668883,8.789203094473724,9.527848201325206,10.273429104575246,105.93861791600305,3.713572066704308,0.0,4.8283137373023015,0.0,6.1070228877422545,0.0,7.466799475018602,0.0,8.87360810154911,9.161255164285691,274.2660510880005,5.079000946074083,39.708501734959725,1.9854250867479863,0.0,0.0,0.0,1238.0,19.0,9.765999999999996,82.0,1.2438204396474257,2.1628821469556403,2.9030463401296283,3.6698533112289238,4.902909589818496,5.910288176912687,7.178876019656186,8.29332392143204,9.55217662141749,10.700470439922018,86.97279165190284,89.4329162203236,85.1893067181722,104.3737463895202,130.60300529580596,157.96308613130887,185.89811631299483,214.01589391935426,242.5911537401303,271.4774683128687,310.7357059285924,379.45478527688095,385.8984737317477,489.92100558080426,616.6822587912233,750.868494611512,889.8683037337042,1029.0279193485742,1170.6774292275716,1312.7187093062892,9.083170087621788,15.49317349029251,20.41914664074934,25.864014638979054,34.417622898540856,41.53031135676868,50.373537860308836,58.20845731752002,66.9973868932515,75.06276800929552,2.2967002930293736,3.059440437185944,3.280441001874785,4.194941978352648,5.335012414232115,6.495036778362268,7.738255398472293,8.955291808053673,10.215538969723578,11.457976355178891,176.13036980883183,327.0308170464212,467.40172472963786,586.4781014568443,794.1048328423155,953.9581498987656,1164.116479598846,1343.5733696221703,1551.067548499565,1736.5783239649852,2.612500426319411,3.867568645223416,4.504968882259618,5.671038791571315,7.3513194042010985,8.961380159608296,10.82996828746476,12.608364442000886,14.551839880654232,16.460027934689695,0.47400649730167727,0.6418808785267738,0.6961192560225574,0.8907387232211141,1.1355315647761968,1.3820939054971506,1.6484463400308411,1.9078032693531584,2.177489228019847,2.4423223118764565,609.550918004801,656.910027710364,20.320157768719092,89.28272149315943,-96.21955002890529,-5.262520892800017,520.2681965116416,753.1295777392693,25.58267866151911,0.8722403781860015,0.9400091675356179,0.029077246171659705,0.12775962181399825,-0.13768591634774344,-0.007530434420101173,425.97468648861803,459.0708254875398,14.200409808686722,62.3937692053474,-67.24145833755597,-3.6776266284494925,0.05755689740383831,0.060570267133364344,1.4018773853041147,0.5809802320628754,698.8336394979606,0.0,1.0,0.0,1347.6999153063296,36.71103261018858,11.045814198619283,1678.1207035551367,40.96487157986873,11.88340955665373,2375.6182743832037,48.74031467259115,13.343165900621546,4.149923898354489,4.149923898354489,11324.665183939074,11267.02780573599,236.17235827056174,1.005115579653912,47.950849400273206,47.706801457384586,8.443927689462694,10.732180284166624,21.219236956967265,0.9771599428191102,9.891030111435283,14.20356451106599,7.037044919111645,66.53260359299797,25.42438697793511,4.386359738493,12.238447281133734,12.418207140541426,47.9377605939,3.308523665263204,4.522454424619899,44.4268407079317,7.096319951517619,50.41101579760981,4.603530490853226,3.6144675259167798,24.708268857801993,8.7499778015987,43.18209693154031,4.4056965565090085,5.986131985292185,14.965921475301178,7.6706846966080136,28.101158605339073,5.100730398229763,5.578443070283711,8.229950470465822,7.111680429291442,12.582341810623955,6.373988526458225,0.8301952255983868,14.20295579679337,0.5424672740276194,15.27480674572942,1.115121018802447,1.167536707479593,1.6677796511334382,1.6336815335930333,12.246478976487534,0.4748441164660528,1.2985918117738044,3.6493344002326777,1.2142174077329824,10.086366365882485,1.2121256533065412,0.41592236504695784,1.9845880379652916,1.2514830532786614,7.273378255241089,0.4359067419304312,0.527608043554965,1.320643151949604,1.1337019563787194,4.480678672303476,0.27366574123751064,0.9010175600630244,1.1719547544377338,1.2266429166829818,2.1003890892457138,0.3097849668655544,2.679704795942808,14.20299769075343,1.782205838345461,18.900767392442162,2.83588159507364,1.576006823666634,3.76451868656187,3.0206443332334914,16.99249310135928,0.838453883658135,1.792920887605243,10.476177992263072,1.851336697896005,16.362736175559338,1.668809184519158,0.9909550692212559,4.728460438131204,2.2735551050358715,12.672163510166602,1.0112555156020981,1.325277162445438,2.6411221450253457,1.9134699617252344,8.022087845199545,0.9375551699399753,1.5801687447442536,1.908092325896378,1.9550125817443598,3.700324725271593,1.0791831102452372,9.336332292369873,14.203498110623542,6.609047674869188,60.97598748803797,22.789534044029203,4.101373303136717,11.569753100995747,11.469882432424708,44.854432466464836,3.0590570675248685,4.267169610383265,41.40098287826798,6.536858917855871,47.250843563483855,4.3125726629489085,3.3911111059461243,22.64692464278501,8.111024049494548,40.30068483941817,4.079544280248309,5.539986528551168,13.61236492006192,7.074306966339913,26.202295997777085,4.6915141380017955,5.194592361557968,7.548618640831784,6.584109140741201,11.749732332243694,5.837025513313146,3.9493351342567253,14.20305090331997,2.658765810124864,23.41987753822187,4.979532574601523,1.9302114475604983,5.221964465177814,4.2145597054475745,21.004464840142898,1.1518405340733218,2.1808771314033737,15.60699770202621,2.456026770819664,21.251673272563526,2.052255056784179,1.4088148097825377,7.174563632715481,3.1261687853335163,16.951599295987194,1.4759818568638188,1.966836905721656,3.982522944083241,2.6134194266827464,10.833222916267944,1.488729922674356,2.1282193770094087,2.6226231184916613,2.5954269332723414,4.958864938714285,1.7464388894050462,11.9448264632587,14.203843443065264,8.656247364414584,89.85244798210428,36.48200444368995,5.54137686654547,14.73880683332577,16.256546892423138,60.37392698620268,4.318467998668467,5.533425557530637,56.231424285182634,9.39411397861236,62.89688711370323,5.775440921647395,4.472729705676944,33.1014794598355,11.320000338418001,54.62628460654717,5.707673360173824,7.765151013195579,20.565912057758243,10.101560115242867,35.64595087049042,6.744979575159685,7.110375750343804,11.035616121310124,9.254988663962749,15.881886008381887,8.550279874214159,5.87496638398472,12.444322172388542,4.178053240857316,32.40279413687845,10.027808927635201,2.87912978322291,7.311452433754937,6.736923834661285,26.47550095116572,1.7626421562193324,3.010497849021009,23.197939932852037,3.7806530254625574,27.85399722835274,2.9841567817024637,2.287235373645437,12.101491048961217,4.901887201004408,23.15092021214107,2.4689630606977935,3.2861530137996624,6.985622239409411,4.20080746562783,15.156005943397723,2.593494275245812,3.182656994081396,4.273356006582041,4.067008728349055,7.140712436880061,3.025302367835656,40.19614063239109,1.0279335968878083,0.7598007982983742,0.9574185471443049,0.02448400954444072,0.5667235263836135,0.42930354796348025,0.41055991599404706,41.98387502757727,72.6410479297795,146.01910434969292,0.9361278207164573,1.4065869903411408,41.58087258955845,0.5358775131237973,0.32545423017484065,0.9797057726657277,0.012626052806332255,0.6062676762580353,0.12425523340330767,0.0766978492285254,42.442204332857095,35.98932907894465,85.68338742816637,0.9695586589985916,0.8072207588898684,41.057619404831016,0.7218963064126452,0.4897419342426481,0.9713352372824396,0.017078518682944802,0.5911470682866574,0.22017756393237004,0.17269776385315685,42.269257645486306,50.100524634589235,106.88541184160817,0.9570028559236594,0.9840223960721843,40.23324617004468,1.0147607298374988,0.7481774781333738,0.9580214670908592,0.024163164936686788,0.5677633788837704,0.41908768255060175,0.39833149633409715,41.99618437801555,71.68794802762815,144.23006277532147,0.9370322006362888,1.3851825577684693,40.81342870965671,0.8086815645386135,0.5663379596084614,0.9674076771791447,0.019168317356850584,0.5841644725572953,0.2732713423778659,0.2302089804107872,42.18844823380379,56.57724839039652,117.4577191426908,0.9511115157687171,1.0876447953459483,40.078962740274974,1.0695268048394229,0.7965023671178856,0.9555124679517908,0.0254983194913317,0.5634468913984043,0.46223106197732466,0.4503196052791114,41.94499191223228,75.64039428689377,151.7278782982214,0.9332687019276863,1.4759975586548404,40.395829317614016,1.0181928287765,0.7510764465926888,0.9580394844454694,0.024147763499975307,0.5723528756056772,0.42111656055805907,0.4012045831360105,42.165098592983206,72.235840316496,145.2932717511709,0.9370592266682042,1.3946740192997467 +UMLCN0112,L,"1,5-cyclooctadiene",C1CC=CCCC=C1,Olefins,Cyclic,C8H12,Marquardt (2015),IQT,PubChem,,25.7,0,1.9580000000000006,3.8337640000000026,38.4444,22.081515999999986,0,0,20,8,12,0,8,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1166.3057359999987,1299.3980239999994,1448.7473359999988,1462.9722319999976,883.8836200000001,163.57420800000003,10.16064,0.0,0.0,3761.1401471658037,4764.974610440861,6266.148984610801,6701.32140664382,4945.086310784646,1936.3467962029677,310.8374443093026,0.0,0.0,140.94569599999997,145.73571200000004,258.02115200000014,352.07964799999996,308.4806560000001,206.34393600000013,67.18463999999999,0.0,0.0,27.646554858187983,35.673731720000006,50.814715059396036,57.03929572728207,44.99446991758406,21.365564007281986,4.4461290484900005,0.0,0.0,3233.3666730109885,2851.8254212748006,5428.966601926598,8017.813730266084,7140.801001857586,5165.988308991283,1849.1765202424901,0.0,0.0,37.0,44.5,70.0,86.5,70.5,38.0,10.0,0.0,0.0,58.31528679999993,64.96990119999997,40.242981555555524,29.259444639999952,20.088264090909092,5.452473600000001,1.016064,0.0,0.0,188.05700735829018,238.24873052204308,174.0596940169667,134.02642813287642,112.38832524510559,64.5448932067656,31.08374443093026,0.0,0.0,7.047284799999998,7.286785600000002,7.167254222222226,7.041592959999999,7.010924000000003,6.878131200000004,6.718463999999999,0.0,0.0,1.3823277429093992,1.7836865860000004,1.411519862761001,1.1407859145456414,1.0226015890360014,0.7121854669093995,0.44461290484900007,0.0,0.0,161.6683336505494,142.59127106374004,150.8046278312944,160.3562746053217,162.2909318603997,172.19961029970943,184.917652024249,0.0,0.0,1.85,2.225,1.9444444444444444,1.73,1.6022727272727273,1.2666666666666666,1.0,0.0,0.0,0.0552983846979825,5.799321287784237E-4,-0.03079325133178268,-0.0011598642575568648,-0.011033903480174093,5.799321287784406E-4,0.014177962462965517,0.0,0.0,581.1168431999998,3.481659405224491E-13,-271.18786015999973,-1.9184653865522705E-13,-213.07617584000036,-5.329070518200751E-13,193.7056143999997,0.0,0.0,1080.6115845082686,-1.5631940186722204E-13,-504.28540610385903,-2.4158453015843406E-13,-396.2242476530324,-1.4210854715202004E-14,360.2038615027563,0.0,0.0,0.1138367999999999,1.8110513089197866E-15,-0.05312383999999823,3.209238430557093E-17,-0.04174016000000037,-1.785897818518123E-15,0.037945599999998754,0.0,0.0,4.8308365672752025,6.050715484207103E-15,-2.2543903980617546,-3.885780586188048E-16,-1.7713067413342412,-6.161737786669619E-15,1.610278855758396,0.0,0.0,26.241180904555176,7.061018436615996E-14,-12.245884422125679,5.10702591327572E-15,-9.621766331670251,-6.59472476627343E-14,8.747060301518344,0.0,0.0,3.199999999999998,0.29999999999999954,-1.7600000000000005,-0.5999999999999992,-0.7399999999999998,0.3000000000000009,0.9000000000000004,0.0,0.0,0.0027649192348991247,2.8996606438921187E-5,-8.553680925495188E-4,-2.3197285151137296E-5,-2.507705336403203E-4,1.9331070959281354E-5,0.0014177962462965518,0.0,0.0,29.05584215999999,1.7408297026122456E-14,-7.532996115555548,-3.836930773104541E-15,-4.842640360000008,-1.7763568394002505E-14,19.370561439999967,0.0,0.0,54.03057922541343,-7.815970093361103E-15,-14.007927947329417,-4.831690603168682E-15,-9.00509653756892,-4.736951571734001E-16,36.02038615027563,0.0,0.0,0.005691839999999995,9.055256544598934E-17,-0.001475662222222173,6.418476861114186E-19,-9.486400000000085E-4,-5.952992728393744E-17,0.0037945599999998753,0.0,0.0,0.24154182836376012,3.0253577421035517E-16,-0.0626219555017154,-7.771561172376097E-18,-0.04025697139396003,-2.0539125955565397E-16,0.1610278855758396,0.0,0.0,1.3120590452277587,3.530509218307998E-15,-0.34016345617015775,1.021405182655144E-16,-0.21867650753796025,-2.19824158875781E-15,0.8747060301518343,0.0,0.0,0.1599999999999999,0.014999999999999977,-0.0488888888888889,-0.011999999999999985,-0.016818181818181812,0.01000000000000003,0.09000000000000004,0.0,0.0,0.010487324936266754,-0.3093645853206002,-0.008389859949013529,-0.09069723645995374,0.006991549957511373,0.5127803475779569,0.0,0.0,5.991324199195905E-16,-0.2592592592592591,-1.3205367622717505E-16,-0.166666666666667,-6.113596121628474E-16,0.6666666666666657,0.0,0.0,-1.4465826954682801E-16,-0.2592592592592594,-8.942511208349368E-17,-0.1666666666666669,-8.76716785132291E-18,0.6666666666666667,0.0,0.0,1.5909190252359414E-14,-0.2592592592592508,1.1276629106078511E-16,-0.16666666666666832,-1.0458819517754801E-14,0.6666666666666453,0.0,0.0,1.2525191858477557E-15,-0.25925925925925847,-3.217480477407079E-17,-0.16666666666666669,-8.503341261718708E-16,0.6666666666666647,0.0,0.0,2.6908158067651147E-15,-0.2592592592592578,7.784750132779578E-17,-0.16666666666666702,-1.6754136155329961E-15,0.666666666666663,0.0,0.0,0.09374999999999992,-0.3055555555555558,-0.07499999999999996,-0.1051136363636364,0.06250000000000022,0.5625000000000007,0.0,0.0,1.0939223692789324,1.3544002944382099,1.0500303165723643,1.0509452136414628,0.6873345595267697,0.0,0.0,0.0,1.1875000000000009,1.3194444444444458,0.950000000000001,1.0795454545454555,0.7916666666666671,0.0,0.0,0.0,1.1875000000000002,1.319444444444444,0.9499999999999997,1.0795454545454541,0.7916666666666669,0.0,0.0,0.0,1.1874999999999993,1.3194444444444435,0.9499999999999993,1.079545454545454,0.7916666666666663,0.0,0.0,0.0,1.1874999999999998,1.319444444444444,0.9499999999999997,1.0795454545454541,0.7916666666666665,0.0,0.0,0.0,1.1874999999999998,1.3194444444444446,0.9500000000000002,1.0795454545454548,0.7916666666666664,0.0,0.0,0.0,1.0390625000000007,1.4019097222222232,1.1281250000000007,1.0120738636363644,0.5937500000000004,0.0,0.0,0.0,28.0,13.999999999999991,20.82842712474618,27.999999999999996,3.4999999999999996,14.00000397645723,-1.5987211554602254E-14,4.440892098500626E-16,5.551115123125783E-17,-28.280404966845772,28.236415164240007,3.529551895530001,2.6724899702328386,28.0,13.999999999999991,20.82842712474618,27.999999999999996,3.4999999999999996,14.00000397645723,-1.5987211554602254E-14,4.440892098500626E-16,5.551115123125783E-17,-28.280404966845772,28.236415164240007,3.529551895530001,2.6724899702328386,28.0,13.999999999999991,20.82842712474618,27.999999999999996,3.4999999999999996,14.00000397645723,-1.5987211554602254E-14,4.440892098500626E-16,5.551115123125783E-17,-28.280404966845772,28.236415164240007,3.529551895530001,2.6724899702328386,28.0,13.999999999999991,20.82842712474618,27.999999999999996,3.4999999999999996,14.00000397645723,-1.5987211554602254E-14,4.440892098500626E-16,5.551115123125783E-17,-28.280404966845772,28.236415164240007,3.529551895530001,2.6724899702328386,28.0,13.999999999999991,20.82842712474618,27.999999999999996,3.4999999999999996,14.00000397645723,-1.5987211554602254E-14,4.440892098500626E-16,5.551115123125783E-17,-28.280404966845772,28.236415164240007,3.529551895530001,2.6724899702328386,28.0,13.999999999999991,20.82842712474618,27.999999999999996,3.4999999999999996,14.00000397645723,-1.5987211554602254E-14,4.440892098500626E-16,5.551115123125783E-17,-28.280404966845772,28.236415164240007,3.529551895530001,2.6724899702328386,30.662530950493377,15.122932141913363,23.224984292698352,30.579197617160055,3.822399702145007,15.122933438899267,-0.16666666666665186,1.1102230246251565E-16,1.3877787807814457E-17,-29.38944045574168,25.643443493112226,3.2054304366390283,2.595430339710606,0,11.8,12.200061519053365,-0.2876338624874587,0.11244422449869976,6.971562500000002,7.372036056275662,8.0,20.0,18.0,18.0,6.0,2.0,2.0,0.0,0.0,2.0,13.118483999999997,3.632052722758684,3.1428800727342785,3.0084647231616266,1.9918082587068624,1.7901358847422326,1.2398636235641998,0.7794377566189056,0.7256918124828957,1.946598668800622,1.5352927467102144,1.4957521339832276,0.815596449760221,0.7861658048961028,0.5385177671330122,0.2653912461777834,0.25563547315896257,3.6524461150030265,3.1642132895281208,3.04403501931611,2.0482954145572214,1.8628272462656128,1.3503580619060422,0.9109332943780032,0.865875551520476,1.8987352596185882,1.4593367957370729,1.4394152986633442,0.7023532967547218,0.6569989129314227,0.38793877361799106,0.09919318953812326,0.08770125046985733,3.7433381142443016,3.2622859505829602,3.2012264526504044,2.300147490209198,2.1793552330083554,1.7944660618756239,1.4299269061110857,1.4062470154765154,1.7617477269140558,1.2827029506233085,1.2326243793830176,0.35023123033866876,0.24065307679640616,0.12517288309396538,0.4779227829027697,0.49921788832124414,3.6675308961912862,3.180157346596448,3.0703052346970856,2.090252998592243,1.9164672694860079,1.4296230810181036,1.0047491741381365,0.964880742390262,1.868605825080166,1.410625233532655,1.4043139565384353,0.6284012581512369,0.571514740002066,0.28639952365192145,0.013612859309163117,0.02649889860959648,3.788417408022875,3.312580125122568,3.2777614169642306,2.421798571742613,2.3272929866656398,1.9859502451274507,1.6486554010038517,1.630182603840738,1.7201052154647458,1.236773925178568,1.1613524183145834,0.2362942914905534,0.10039665594173376,0.3114331907615586,0.6923252563618316,0.7196838844735205,3.703914377499141,3.29432969086072,3.020550920784727,2.1542196675129333,1.9597045366115033,1.5112473139746587,1.1655072420129842,1.1221049399575,1.8394733838711452,1.4293057670714062,1.290628768825453,0.513692512213811,0.493815625857796,0.16678581348821728,0.18079946746626596,0.19275228607596306,0,0,0,4,0,0,4,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.65685424949238,4.0,2.82842712474619,2.0,1.414213562373095,1.0,0.7071067811865475,0.5,0.7071067811865475,0.5,0.35355339059327373,0.25,0.17677669529663687,0.125,0.08838834764831843,0.0625,5.137828201504694,3.299659828522119,2.097509579961315,1.3333333333333333,0.8563047002507823,0.5499433047536865,0.3495849299935525,0.22222222222222227,0.6422285251880867,0.4124574785652649,0.2621886974951644,0.16666666666666666,0.10703808753134779,0.06874291309421081,0.04369811624919406,0.027777777777777783,11.250966822715249,19.32702112163146,18.352941176470594,18.560000000000006,12.79132694610778,151.65491976047906,0.5625483411357625,0.966351056081573,0.9176470588235297,0.9280000000000003,0.639566347305389,7.582745988023953,2.5251800000000006,36.20799999999999,40.0,48.0,80.0,10.0,40.0,3.3306690738754696E-16,4.163336342344337E-17,-28.510550624807195,26.737188841718776,3.342148605214847,2.6288443494539466,64,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,4.0,4.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.069444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.265277777777778,0.0,0.0,1.3347222222222221,1.3347222222222221,0.0,1.265277777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.930555555555555,0.0,9.069444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.267361111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3163194444444445,0.0,0.0,0.33368055555555554,0.33368055555555554,0.0,0.3163194444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2326388888888888,0.0,2.267361111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.267361111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3163194444444445,0.0,0.0,0.33368055555555554,0.33368055555555554,0.0,0.3163194444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2326388888888888,0.0,2.267361111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,1.75,0.33368055555555554,2.267361111111111,0.3163194444444445,1.2326388888888888,4.915972222222223,0.2673611111111111,0.2673611111111111,2.138888888888889,0.2673611111111111,0.2673611111111111,2.138888888888889,4.0,0.5,0.0,0.0,0.46,0.7,0.43333,0.43333,0.7,0.02667,0.02667,-0.0,0.0,0.71429,0.0,0.0,0.0,0.0,0.0,6.0,0.75,4.0,0.5,2.0,0.25,-2.0,-0.25,0.0,0.0,5.67483,0.70935,7.83333,2.1585,0.26981,2.91421,0.36428,4.0,1.08579,0.13572,-0.086,-0.01075,-0.0,-0.0,0.4,8.0,0,0,0,0,0,0,0.5,0.9709505944546688,1.9219280948873623,1.9219280948873625,1.9219280948873623,1.9219280948873623,1.9219280948873625,19.419011889093376,38.43856189774725,38.43856189774725,38.43856189774725,38.43856189774725,38.43856189774725,0.22465681361132722,0.44469228841657793,0.444692288416578,0.44469228841657793,0.44469228841657793,0.444692288416578,3.350977500432694,2.4000000000000004,2.4000000000000004,2.4000000000000004,2.4000000000000004,2.4000000000000004,0.21772967442684313,0.4309805058687413,0.43098050586874137,0.4309805058687413,0.4309805058687413,0.43098050586874137,6.790894279573414,12.146183196578274,12.146183196578274,12.146183196578274,12.146183196578274,12.146183196578274,30.687171699834046,28.378222090468128,28.37822209046813,28.378222090468128,28.378222090468128,28.37822209046813,6.125,3.9375,2.8125,0,2,0,2.34,1.0412000000000012,0.0,0.0,0.0,0.0,13.76640469452392,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.11499999999999999,0.112,0.47700000000000004,0.52,4.002,8.0,8.0,8.0,8.0,8.0,8.0,0.0,0.0,0.0,64.0,2.3978952727983707,2.5649493574615367,2.70805020110221,2.833213344056216,3.044522437723423,3.2188758248682006,3.367295829986474,0.0,0.0,0.0,4.890349128221754,2.0625,0.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0,4.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.000000000000004,22.828427124746195,32.00000000000001,4.000000000000001,16.00000052012883,1.1102230246251565E-16,1.3877787807814457E-17,-29.38944045574168,4000009.51365692,500001.189207115,12.161445837996453,0.0,129.29495960533347,4.0,3.4965075614664802,4.174387269895637,4.859812404361672,5.54907608489522,6.240275845170769,6.932447891572509,7.6251071482389,8.318010277546872,9.011035410141815,72.20665989328988,2.833213344056216,0.0,3.8918202981106265,0.0,5.081404364984463,0.0,6.3578422665081,0.0,7.685703061234547,8.001355025826703,108.093900384,5.4046950192,15.9375,1.9921875,0.0,0.0,0.0,64.0,8.0,3.52,32.0,1.2535916112085281,2.2002399414081126,2.9528355391779213,3.652657153648893,3.9262159566594823,4.1072131592255,0.0,0.0,0.0,0.0,92.91100212577201,96.96175530710131,87.34046226591994,65.28778742162446,20.289221288314714,4.173191431415299,0.0,0.0,0.0,0.0,325.4548333469252,405.09569170834504,404.0150735154732,386.24102649165,244.98202092424944,127.66756416471917,0.0,0.0,0.0,0.0,9.171340588183686,15.812079117193248,20.833824067892625,25.54874637549177,26.964778214501973,27.594163750582794,0.0,0.0,0.0,0.0,2.3813599683734634,3.234858468626287,3.435909159485845,3.583471944032779,2.728741995247523,1.8261199735572884,0.0,0.0,0.0,0.0,176.46711984888864,328.8713268254002,470.2150128652002,597.1601824098183,679.2989289530706,759.4962137670775,0.0,0.0,0.0,0.0,2.88888671746895,4.378591159429699,5.172439294380935,5.704889276569387,4.908169428094512,4.1072131592255,0.0,0.0,0.0,0.0,0.4905537813047972,0.6773437818652724,0.7286674007410037,0.7709289092403453,0.6042684926276859,0.4205786275046913,0.0,0.0,0.0,0.0,265.9955083867941,126.57113249557783,11.017018280460944,46.103723039440546,-21.937966068505865,-3.2256760827607094,219.89178534735353,148.5090985640837,14.242694363221652,0.8522786396212663,0.40554772248932364,0.035299728967979976,0.14772136037873343,-0.0702916375931254,-0.010335418219455323,83.016993730349,39.502753172617965,3.4384029379406384,14.388936526497384,-6.846822349035497,-1.006731026259605,0.11958887457005393,0.18416690555458523,3.2910652644627882,1.181527367920026,312.0992314262347,0.0,1.0,0.0,539.354430132929,23.224005471342124,8.140006470166368,656.4481122888028,25.621243379055645,8.690940992291083,926.6127069032378,30.440313843704665,9.749134990200508,1.2805128907538503,1.2805128907538503,284.1178767528039,211.8100583995231,175.32131083972922,1.3413804750333973,1.620555284420224,1.2081249985242821,3.570803453042147,3.995166421189563,5.514412327607487,0.3802709940592582,3.6735332159561493,6.318389241522606,3.5464242399294554,14.398287465165648,14.297141570950133,9.836064489660876,14.935221764438415,1.541503181433996,4.496191991627376,0.9794430726300202,5.748260371672694E-11,6.506833950128698E-43,1.420623260223085E-96,5.982242629195466E-172,4.8587553312711035E-269,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3083796191370351,5.6921289638884485,0.23971928398276016,7.404967644654715,4.303641318629657,1.015333899201895,0.8478740676644948,0.11967665332338737,0.03166704952381848,0.006898297644975418,4.0485467805839577E-13,4.582816354389021E-45,1.0005565779417245E-98,4.213342397719848E-174,3.422061107565784E-271,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9952792107767111,5.733977237177097,0.8119999626667356,8.16112967352295,5.858653060555429,2.3834915303761526,3.0042597397050783,0.3927165193767966,0.32999505815825797,0.07188558007608438,4.218897889965994E-12,4.775647978271531E-44,1.0426570975329251E-97,4.390627628830459E-173,3.5660515163817763E-270,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.4675209240984244,6.249631461885986,3.3076624133378765,13.732669371658233,13.513814034731059,9.143117570585341,13.818395700694122,1.4483804113605996,4.006026118323222,0.8726661442683996,5.12159650211068E-11,5.797471903503349E-43,1.2657497486075793E-96,5.330070481053962E-172,4.329063525354629E-269,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.466814246282781,5.788235432117629,1.235342989442003,8.879541085795204,7.070089211586168,3.4510600036768846,4.698079143945624,0.5852524813554771,0.716793358277066,0.15614508575290015,9.164009974103728E-12,1.0373345562540118E-43,2.26479054259329E-97,9.537029914583223E-173,7.745940413019507E-270,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.43630400557464,6.607506357835568,4.471699212213525,17.132426071655402,17.392213256378724,12.575396127883007,19.359187998693727,1.8931977778510227,6.5572734550666905,1.4284256718303845,8.383297521533644E-11,9.489605793773687E-43,2.071845512626922E-96,8.724538654110022E-172,7.086038017190694E-269,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0348247298746385,5.38488898622848,2.026226237259784,10.045431229378663,9.323040541714319,4.785139863612565,7.1824672908596865,0.7344417409255625,1.468144327394916,0.3198181461649045,1.8769829785053695E-11,2.1246804735114114E-43,4.638769829299869E-97,1.9533853483087233E-172,1.5865323530681154E-269,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.234257159650433,1.5030357111667942,1.05144752757163,0.46656468586230637,0.3138686974287605,0.5193866622946981,0.6102214853882222,0.5816921228013905,4.788740398388857,7.287735647716543,15.607413801137135,0.1998470287934595,1.7113002704843108,1.4829011381056296,1.1453848280920518,0.4844290817203971,0.4764011852281369,0.36796970183895755,0.22431740204324085,0.27506115288227484,0.1237242511876718,3.1127150479180785,2.971710622250374,6.907224815368446,0.2665563306006417,0.6231028061131875,1.7487636683213297,1.2818540405358594,0.6902450849646634,0.4699887540129105,0.3445045172491335,0.31195790435412546,0.39862240491980294,0.25118672767587236,3.7208627938218526,4.333528752125551,9.601686187238151,0.22173990689306605,0.9617670369498008,2.2122866960902785,1.4933543942439416,1.0352817083677472,0.46663630479196744,0.31499234593164266,0.5088277883456297,0.600777036157774,0.5640548062402583,4.740922798701967,7.140110497532762,15.301322525070205,0.19995445718795116,1.673659630743662,1.8809713041835543,1.3441496312222034,0.7897085186432273,0.4685059043508264,0.3347961966022289,0.36292309979338505,0.45739593451704874,0.328729819495929,4.014829454048985,5.0752123612024125,11.08666729996798,0.20495315142958295,1.1490488538063628,2.3042442417477753,1.53375840293872,1.1028732653654396,0.46636351199590337,0.31042236859629985,0.5537424884230335,0.6403215267141514,0.639505660197746,4.940875910051934,7.766984477430398,16.605584314699495,0.19954526799385497,1.8335696753349309,2.207596338704862,1.4981265876086303,1.0368509559613572,0.4654848598048522,0.31588892968179344,0.5063841597227648,0.6033682117873733,0.5657970166903294,4.74257388227485,7.149541128397283,15.321249427669162,0.19822728970727835,1.6755493882004675 +UMLCN0113,L,Dimethyl ether,COC,Ethers,,C2H6O,NREL (2014),Unknown,PubChem,,67,0,0.050499999999999684,0.002550249999999968,13.0125,8.322758,0,0,9,3,6,0,2,0,1,0,0,0.0,0.0,0.0,0.0,0.0,550.5926270000002,456.9705059999999,247.122457,72.642528,9.144576,0.0,0.0,0.0,0.0,1249.9270470485976,1293.8787023747548,1102.1011520877119,688.4196982231118,279.75369987837234,0.0,0.0,0.0,0.0,68.74353199999999,62.77356,104.67830799999999,42.705792,60.46617599999999,0.0,0.0,0.0,0.0,8.888681429094001,9.35994586,8.665185345094002,6.68126586,4.001516143641,0.0,0.0,0.0,0.0,1548.5459101279941,1225.4219431074,2347.405928412394,918.7352862774,1664.258868218241,0.0,0.0,0.0,0.0,26.25,26.0,31.0,12.0,9.0,0.0,0.0,0.0,0.0,61.17695855555558,57.121313249999986,19.009419769230767,12.107088,1.016064,0.0,0.0,0.0,0.0,138.88078300539973,161.73483779684435,84.77701169905475,114.73661637051863,31.08374443093026,0.0,0.0,0.0,0.0,7.638170222222221,7.846695,8.052177538461537,7.117632,6.718463999999999,0.0,0.0,0.0,0.0,0.9876312698993335,1.1699932325,0.6665527188533849,1.11354431,0.444612904849,0.0,0.0,0.0,0.0,172.06065668088823,153.177742888425,180.5696868009534,153.1225477129,184.917652024249,0.0,0.0,0.0,0.0,2.9166666666666665,3.25,2.3846153846153846,2.0,1.0,0.0,0.0,0.0,0.0,0.16899117763061156,-0.01629800068185568,-0.10438871969438325,0.01123743261993538,0.024953698940997766,0.0,0.0,0.0,0.0,314.7756535555555,-20.016544938271693,-119.46336358024689,-169.99436370370375,152.08644544444462,0.0,0.0,0.0,0.0,363.4566523623203,-176.06574010753815,102.14024041838768,-278.0482611524885,170.24543466047888,0.0,0.0,0.0,0.0,0.9667315555555553,0.0016110617283955635,-0.6918975802469116,-0.001623703703704194,0.20854444444444273,0.0,0.0,0.0,0.0,1.5215138905868888,-1.2498424305007905,1.072052250971827,-1.0925823777245929,0.5096156119601117,0.0,0.0,0.0,0.0,8.52480322145355,-7.607909220415586,6.5884842312644025,-5.6523832114690205,2.4094065898934285,0.0,0.0,0.0,0.0,6.0,0.5,-4.25,-1.5,2.25,0.0,0.0,0.0,0.0,0.018776797514512396,-0.00203725008523196,-0.008029901514952557,0.0018729054366558966,0.0027726332156664184,0.0,0.0,0.0,0.0,34.97507261728394,-2.5020681172839616,-9.189489506172837,-28.33239395061729,16.898493938271624,0.0,0.0,0.0,0.0,40.38407248470226,-22.00821751344227,7.856941570645206,-46.341376858748085,18.916159406719874,0.0,0.0,0.0,0.0,0.10741461728395059,2.0138271604944544E-4,-0.05322289078822397,-2.70617283950699E-4,0.023171604938271414,0.0,0.0,0.0,0.0,0.16905709895409876,-0.1562303038125988,0.08246555776706363,-0.1820970629540988,0.05662395688445686,0.0,0.0,0.0,0.0,0.9472003579392833,-0.9509886525519482,0.5068064793280309,-0.94206386857817,0.26771184332149206,0.0,0.0,0.0,0.0,0.6666666666666666,0.0625,-0.3269230769230769,-0.25,0.25,0.0,0.0,0.0,0.0,-0.10849827206462603,-0.4276502161109384,0.09974573327578076,0.14766273181161368,0.0,0.0,0.0,0.0,-0.07153861107489144,-0.2627439721635227,-0.8100739135167948,0.48315822309174405,0.0,0.0,0.0,0.0,-0.5449727122438957,0.194555454347044,-1.147516186642704,0.4684064345884243,0.0,0.0,0.0,0.0,0.0018748166789729385,-0.4954902054673735,-0.0025193711134800408,0.21572115159166155,0.0,0.0,0.0,0.0,-0.9241274384757863,0.48779707138742584,-1.0771334896947484,0.33493983532647165,0.0,0.0,0.0,0.0,-1.00399946492937,0.5350573139885973,-0.994577188112251,0.28263486291741113,0.0,0.0,0.0,0.0,0.09375,-0.4903846153846154,-0.375,0.375,0.0,0.0,0.0,0.0,1.0621948743903695,2.1123828035596413,0.006910759766948045,0.0,0.0,0.0,0.0,0.0,1.2043567115748721,1.318038096969247,1.5384418411334697,0.0,0.0,0.0,0.0,0.0,1.9530002003432871,0.4238647972604016,2.477626005478079,0.0,0.0,0.0,0.0,0.0,0.9264329842686424,2.1538280471924462,0.09812858539150927,0.0,0.0,0.0,0.0,0.0,2.4795678027571406,0.022181469850034375,2.645849744982072,0.0,0.0,0.0,0.0,0.0,2.575980061637442,8.325413715466546E-5,2.565179533852907,0.0,0.0,0.0,0.0,0.0,0.875,1.9230769230769231,0.6666666666666666,0.0,0.0,0.0,0.0,0.0,3.962214450449026,2.1061072252245125,3.6061072252245125,4.045547783782359,1.348515927927453,2.316460663444406,0.24999999999999933,4.440892098500626E-16,1.4802973661668753E-16,-10.605151862567165,2000000.0,666666.6666666666,4.352597321557266,3.966591633254289,2.107928606176491,3.6093974479791044,4.04968015962052,1.3498933865401734,2.3178295923841836,0.24926557909869307,2.220446049250313E-16,7.401486830834377E-17,-10.813096016735148,2000000.0,666666.6666666666,4.352597321557266,7.8850497455580495,3.7430276337500112,6.541016589866063,7.752051586205374,2.5840171954017914,3.7738491919635315,-0.398994478058027,1.1102230246251565E-16,3.700743415417188E-17,-11.021040170903133,2000000.0,666666.6666666666,4.352597321557266,3.9711858210788327,2.109840310648886,3.6128507102110095,4.054017421151812,1.3513391403839374,2.319267419959393,0.2484948002189391,4.440892098500626E-16,1.4802973661668753E-16,-10.605151862567165,2000000.0,666666.6666666666,4.352597321557266,12.0523876051039,5.485046670382374,9.649635199060679,11.691622850324183,3.897207616774728,5.489624262408397,-1.0822942643391524,1.1102230246251565E-16,3.700743415417188E-17,-11.021040170903133,2000000.0,666666.6666666666,4.352597321557266,4.421731878034423,2.2974330319563623,3.95116466019976,4.479443273327191,1.4931477577757302,2.465094539840462,0.17313418587830087,1.1102230246251565E-16,3.700743415417188E-17,-11.021040170903133,2000000.0,666666.6666666666,4.352597321557266,2.9099024109789973,1.669236919775213,2.812094062632356,3.0527595538361405,1.01758651794538,2.019405531900863,0.4285714285714286,3.3306690738754696E-16,1.1102230246251565E-16,-10.6914564843027,2000000.0,666666.6666666666,4.352597321557266,0,11.99668808230206,15.99794144166859,-0.4139890670992577,0.06253843948386752,3.6686830329762596,3.995565169864659,2.0,8.0,8.0,8.0,2.0,0.0,0.0,0.0,0.0,0.0,8.475242,3.113195984919586,2.3335527931030464,0.8443324441414916,0.08392307051869133,0.08392307051869122,0.08392307051869116,0.0839230705186911,1.2496297225843573,1.5415763851013757,1.2496297225843573,0.0839230705186911,0.08392307051869116,0.08392307051869122,0.08392307051869133,0.8443324441414916,2.3335527931030464,2.9857374290511736,2.4054545878412856,0.5415442402048486,0.2709139018929372,0.2709139018929372,0.2709139018929372,0.270913901892937,1.1345406859483502,1.5415686629462313,1.1345406859483502,0.270913901892937,0.2709139018929372,0.2709139018929372,0.2709139018929372,0.5415442402048486,2.4054545878412856,3.2945942234392667,2.7042369872335197,1.1747073989720904,0.9439184268026226,0.9439184268026218,0.9439184268026215,0.9439184268026213,0.7603185604308975,1.1947204133800415,0.7603185604308975,0.9439184268026213,0.9439184268026215,0.9439184268026218,0.9439184268026226,1.1747073989720904,2.7042369872335197,2.9701559820523125,2.457539916041692,0.44802796714375204,0.39927724550898275,0.3992772455089822,0.3992772455089821,0.39927724550898197,1.0582626705327112,1.5386671827289975,1.0582626705327112,0.39927724550898197,0.3992772455089821,0.3992772455089822,0.39927724550898275,0.44802796714375204,2.457539916041692,3.3426639774777493,2.838982085149648,1.2086895427301545,1.2076448229620877,1.2076448229620875,1.2076448229620869,1.2076448229620864,0.6313372621875626,1.1343226240506097,0.6313372621875626,1.2076448229620864,1.2076448229620869,1.2076448229620875,1.2076448229620877,1.2086895427301545,2.838982085149648,3.32811362029252,2.5000000000000004,1.2323811280925265,0.5,0.4999999999999999,0.49999999999999983,0.4999999999999998,0.9999999999999982,1.310494748385047,0.9999999999999982,0.4999999999999998,0.49999999999999983,0.4999999999999999,0.5,1.2323811280925265,2.5000000000000004,0,0,0,0,0,0,0,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.7071067811865475,1.414213562373095,0.7071067811865475,0.0,0.0,0.0,0.0,0.0,0.9023689270621825,0.7071067811865475,0.7071067811865475,0.0,0.0,0.0,0.0,0.0,2.408248290463863,0.8164965809277261,0.4082482904638631,0.0,0.0,0.0,0.0,0.0,0.8027494301546211,0.4082482904638631,0.4082482904638631,0.0,0.0,0.0,0.0,0.0,4.3402825157744775,8.994173343044427,8.525490196078433,8.68,4.875902994011976,70.49659161676647,0.48225361286383084,0.999352593671603,0.9472766884531593,0.9644444444444444,0.541766999334664,7.832954624085163,0.2626,12.933000000000003,2.7320508075688785,4.7320508075688785,5.464101615137757,1.8213672050459189,2.832072756761436,5.551115123125783E-16,1.8503717077085943E-16,-10.538208797172901,2000000.0,666666.6666666666,4.352597321557266,6,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.5,2.5,0.5,4.25,0.45,1.625,1.404,0.375,0.75,1.5,0.375,0.75,1.5,1.33333,0.44444,0.0,0.05556,0.51852,0.95556,0.40909,0.51852,0.95556,0.10943,0.0,-0.10943,0.0,0.46511,0.24918,0.0,0.75,0.0,0.0,1.5,0.5,1.5,0.5,0.0,0.0,-1.5,-0.5,0.0,0.0,1.10313,0.36771,1.91421,0.81108,0.27036,0.7698,0.2566,1.41421,0.64442,0.21481,0.0,0.0,0.0,0.0,0.0,2.01,1,1,1,1,0,0,1.0,1.224394445405986,1.224394445405986,1.224394445405986,0.8721805563568403,0.38997500048077083,-0.0,11.019550008653875,11.019550008653875,11.019550008653875,7.8496250072115625,3.5097750043269373,-0.0,0.38625344285713004,0.38625344285713004,0.38625344285713004,0.27514233174601893,0.12302341547618086,-0.0,1.9455305560363265,1.9455305560363265,1.9455305560363265,2.2977444450854723,2.779950000961542,3.1699250014423126,0.4081314818019954,0.4081314818019954,0.4081314818019954,0.2907268521189468,0.12999166682692362,-0.0,11.813124321170807,11.813124321170807,11.813124321170807,6.179493237851567,0.39302656733873287,-0.0,10.944027785790624,10.944027785790624,10.944027785790624,8.126316673397458,2.339850002884625,-0.0,3.0,2.0,0.0,3,0,0,1.5699999999999998,0.44910000000000017,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.296,0.29000000000000004,0.31200000000000006,0.05400000000000002,1.1320000000000001,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,1.0986122886681098,0.6931471805599453,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9459101490553132,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,0,1.0,2.0,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25,2.7320508075688785,4.7320508075688785,5.464101615137757,1.8213672050459189,2.832072756761436,5.551115123125783E-16,1.8503717077085943E-16,-10.538208797172901,2000000.0,666666.6666666666,4.352597321557266,9.23,51.93865465309452,2.584962500721156,1.9459101490553132,2.1972245773362196,2.5649493574615367,2.833213344056216,3.2188758248682006,3.4965075614664802,3.8918202981106265,4.174387269895637,4.574710978503383,33.89759936075361,1.6094379124341003,0.0,2.1972245773362196,0.0,2.833213344056216,0.0,3.4965075614664802,0.0,4.174387269895637,4.852030263919617,46.041864812,5.115762756888889,4.914213562373095,1.6380711874576983,2.414213562373095,2.414213562373095,0.0,4.0,0.0,0.020000000000000004,6.0,1.18525,1.9621333273672747,2.7255303174669154,3.117325116218149,0.0,0.0,0.0,0.0,0.0,0.0,77.45986985250002,41.07686154246354,32.99823540023988,3.1674018268850777,0.0,0.0,0.0,0.0,0.0,0.0,201.8830809928658,177.06788459957073,312.7181264414193,96.89813722064494,0.0,0.0,0.0,0.0,0.0,0.0,9.458319654,15.92587014978571,19.399321804572676,20.94363656960745,0.0,0.0,0.0,0.0,0.0,0.0,1.3989697827725003,1.3635167552079095,3.034998776747777,1.3860029752804979,0.0,0.0,0.0,0.0,0.0,0.0,181.56588331280076,353.0202983822654,417.3401460792832,576.4484410872793,0.0,0.0,0.0,0.0,0.0,0.0,4.123,4.8438409386755925,5.451060634933831,3.117325116218149,0.0,0.0,0.0,0.0,0.0,0.0,0.36858,0.37735073568090444,0.6541272761920597,0.31921409190073846,0.0,0.0,0.0,0.0,0.0,0.0,322.4437433612659,124.80909504336537,15.22512090131524,59.97648896137923,-23.215247512994097,-23.215247512994097,262.46725439988666,148.02434255635947,38.44036841430933,0.8431660150481329,0.32636634909542356,0.03981254027498712,0.15683398495186707,-0.06070611738295155,-0.06070611738295155,123.30901124719867,47.72952312246288,5.822394272221334,22.936222842507206,-8.877980347346911,-8.877980347346911,0.1360360242839594,1.0,4.917352239706529,59.97648896137923,322.4437433612659,59.97648896137923,0.8431660150481329,0.15683398495186707,195.3597978026093,13.977116934568778,5.8024543497140195,253.48201429333517,15.921118500072009,6.3287175928221515,223.7764452234232,14.959159241863267,6.071156902304823,1.3765866398817768,1.1438649267279857,54.02727094888478,46.96359457344023,13.805373373598826,1.1504074898781136,3.9134958169407907,3.401834438121946,2.1132320987513507,2.0472598897133656,3.9010233384819233,0.905485159985282,1.6734035123280282,1.4871083701512942,5.205321251209036,0.00210253181189395,7.155315461142146,1.4903635610330745,0.7508940077743014,5.244629308470618E-16,7.065239062209679E-53,1.8357554661371426E-111,9.199806724791202E-192,8.892389594997148E-294,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.14043740025269863,1.024723533153086,0.5475978296931203,0.002044676706418772,0.3578983905784214,0.010496752424321847,0.005288607893817118,3.6938353048169826E-18,4.9761056406429814E-55,1.2929375849073174E-113,6.479499098752523E-194,6.262982700633641E-296,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4533483600658429,0.6001279204369976,0.9774099914519764,0.002056484640644605,1.3151941408888448,0.10938425326896661,0.05511137179169329,3.849261183818273E-17,5.1854857373115136E-54,1.3473406494852014E-112,6.752137632906546E-193,6.526510852564629E-295,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5795564849075785,1.6615535203770997,6.394391616586132,0.002098992022972694,6.586991245740364,1.3278871010595426,0.6690330421747483,4.672870291940862E-16,6.295000805097356E-53,1.6356250702267078E-111,8.19686216267794E-192,7.922959034628787E-294,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6681519605491142,0.482657712745286,1.0066394420335472,0.0020645902115031213,2.100083538487442,0.23759721473932666,0.11970926387831751,8.361109655044366E-17,1.1263567940412599E-53,2.9266039312691927E-112,1.4666545204054579E-192,1.4176453687406162E-294,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0208770887233514,1.97818765820421,7.57968602106618,0.002115648962593488,9.432365918047907,2.173555187042199,1.0951083401389115,7.648798947892881E-16,1.0303987169953065E-52,2.6772768201749156E-111,1.3417053495801898E-191,1.2968714503542656E-293,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8367019958085044,1.5199968404587665,4.323057961333249,0.0020709556843261237,2.788773466329604,0.3725908902711597,0.18772350194357534,1.3111573271176545E-16,1.7663097655524198E-53,4.5893886653428565E-112,2.2999516811978005E-192,2.223097398749287E-294,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7354848801240086,0.37163070000000004,0.3443063918736284,0.7079502835286171,0.15159801300841008,0.6917104086365025,0.4444444444444444,0.3934499157080093,2.451421971997637,1.3704528234931062,4.04393846035729,0.5619254252929257,1.5296047687889562,0.9469037015968926,0.32252922645836396,0.0731822637869283,0.7052681269736404,0.24022462163252137,0.2059179806689659,0.34525298022715845,0.017234789933208462,1.342615191842185,0.3983040938073598,1.7632694504043913,0.5579021904604606,0.5684057508293329,1.4005556658697333,0.2738890692796624,0.2087696604330709,0.7437048427173636,0.14543700914889734,0.45048817099580213,0.24897095579280246,0.14025846601196784,1.8832143955824667,0.7331701465705018,2.6964679341620363,0.6155572640760455,0.8397175928005725,1.6550159970923914,0.3587559397708865,0.3510163158798284,0.6998580085014404,0.15170742638573956,0.6290527047115679,0.4271667953147186,0.39650523222954553,2.3647882527431063,1.300613625672666,3.8738166995173544,0.5497870127521607,1.452724732255832,1.5911972629809497,0.2738883734609208,0.26723966348205913,0.7462263206452202,0.12844586774386244,0.5814745192427433,0.2414023585184256,0.23702880038554383,2.1323252999239295,0.934235288061269,3.1830264206973777,0.6193394809678303,1.0599056781467127,1.753809817138558,0.38633022474744266,0.3579671397316047,0.7020554722567626,0.15464917902252748,0.7063950310222192,0.480299006799187,0.4252904291228315,2.4981071816176055,1.4436495502384188,4.184297274603039,0.5530832083851438,1.6119844669442376,1.6976644076913443,0.35964261290322586,0.3472020579929652,0.7060336859649504,0.14957007902606392,0.6618907765787676,0.41623309053069724,0.4000956850229243,2.4045090785875356,1.3248536948887326,3.9413478452866038,0.5590505289474257,1.478219552132389 +UMLCN0114,L,isopropyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OC(C)C,Esters,Olefins,C21H40O2,NREL (2014),Other Ignition Delay Method,PubChem,,86.6,0,-2.141799999999999,4.587307239999996,83.1847,65.23571999999994,0,0,63,23,40,0,21,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3582.125102999997,3801.793786000004,4520.477847000012,4199.628033000028,4140.64663700002,3681.5127940000007,3400.1868809999996,3203.4301519999995,3006.673423,10569.986267901877,13544.474294285483,17993.85253159925,18944.689112434695,18122.192838030973,17161.36389651715,16035.488700980437,15028.690356025305,14021.892011070178,453.7928279999996,458.0767360000004,858.564252000001,1167.0064920000032,1094.4718280000027,1040.3162800000025,1001.2259400000029,938.3410400000025,875.4561400000025,77.63782419395984,101.5488923999999,146.02327480752712,161.95966313518554,154.7199487754874,147.03546675214824,140.14068483493998,131.11915597554375,122.09762711614766,10430.29013046496,8994.024659470999,18391.11416995224,26719.90669245398,25144.453881823945,23602.800080117973,23231.751089193465,21752.795934154885,20273.840779116308,157.30555555555554,135.33333333333334,237.8055555555556,286.0,280.24999999999994,275.0,232.75,220.5,208.58333333333337,56.859128619047574,61.319254612903286,38.30913429661027,25.923629833333507,27.06304991503281,25.566061069444448,24.11480057446808,24.26841024242424,24.444499373983742,167.7775598079663,218.45926281105616,152.49027569151906,116.94252538539935,118.44570482373184,119.17613817025797,113.72687021971942,113.85371481837352,113.99912204122096,7.203060761904755,7.388334451612909,7.2759682372881445,7.203743777777797,7.153410640522893,7.224418611111129,7.100893191489382,7.108644242424262,7.117529593495956,1.2323464157771404,1.637885361290321,1.237485379724806,0.9997510070073181,1.0112414952646236,1.0210796302232517,0.9939055662052481,0.9933269392086648,0.9926636350906314,165.56016080103112,145.06491386243547,155.85689974535796,164.93769563243197,164.34283582891467,163.90833388970816,164.76419212193946,164.79390859208246,164.82797381395372,2.4969135802469133,2.1827956989247315,2.0153013182674204,1.7654320987654322,1.8316993464052285,1.9097222222222223,1.650709219858156,1.6704545454545454,1.6957994579945803,0.3347448919915972,-0.17155757423496096,0.06164441119733021,-0.08059367750891581,0.05144765389096062,-0.03535869414089669,0.006917986812172477,0.0020493039378044423,-0.020408552593962043,1910.187747428574,-19.69635918366845,-405.82860989795415,-139.20793695918272,135.38963581632592,-474.0729489795898,-0.3985362448995886,-2.4369043265321864,-4.475272408164784,3130.6294036841377,-151.3466410995575,-1163.1738860429325,34.61585709283234,126.08807640787946,-452.5925264420466,4.665659342151919,3.908768093677061,3.151876845202203,2.298038857142848,0.057854331065747056,0.9763815056689235,-0.4600936326530659,0.01521477551020656,-0.6192674829932043,-0.0441753469387664,-0.05440522448978838,-0.06463510204081037,13.944487014302824,-1.0183734511056417,-5.823489589992618,0.8339284230690773,0.13323631382577533,-0.9551539927766247,0.007727763749795141,0.0075619502999179355,0.007396136850039842,76.5986473917155,-6.108318519465683,-32.22304650848665,5.523575998476273,-0.045894530340742756,-3.5501004514009136,-0.0029293252213771215,-0.0029328121551552844,-0.002936299088926342,43.96825396825389,-0.36911060720584365,14.175422020660106,-6.237150415721864,4.235827664399088,-14.522675736961384,-1.8125472411186858,-2.0869236583522444,-2.0279667422524668,0.005313410983993606,-0.002767057648950983,5.224102643841543E-4,-4.974918364747889E-4,3.3625917575791256E-4,-2.455464870895604E-4,4.906373625654239E-5,1.5525029831851837E-5,-1.6592319182082962E-4,30.32044043537419,-0.3176832126398137,-3.439225507609781,-0.8593082528344612,0.8848995804988622,-3.292173256802707,-0.002826498190777224,-0.018461396413122624,-0.03638432852166491,49.692530217208535,-2.4410748564444757,-9.857405813923156,0.2136781302026688,0.8241050745613037,-3.143003655847546,0.033089782568453324,0.029611879497553492,0.025625015001643926,0.03647680725623568,9.331343720281783E-4,0.008274419539567148,-0.0028400841521794193,9.944297719089255E-5,-0.004300468631897252,-3.133003328990525E-4,-4.121607915893059E-4,-5.254886344781331E-4,0.22134106371909246,-0.016425378243639384,-0.049351606694852695,0.005147706315241218,8.708255805606231E-4,-0.0066330138387265605,5.4806835104930076E-5,5.7287502272105576E-5,6.013119390276294E-5,1.2158515459002461,-0.09852126644299489,-0.27307666532615804,0.03409614813874243,-2.999642505930899E-4,-0.02465347535695079,-2.0775356179979584E-5,-2.221827390269155E-5,-2.3872350316474323E-5,0.6979087931468871,-0.005953396890416833,0.12013069509033988,-0.03850092849211027,0.027685148133327373,-0.1008519148400096,-0.01285494497247295,-0.01581002771478973,-0.016487534489857455,-0.5207686093333661,0.09831919005661145,-0.09362946664081868,0.06328499277975617,-0.04621259071230464,0.009233943394242328,0.0029218575183851277,-0.031227245985801816,-0.010477526318159272,-0.1134292727356728,-0.028340889528501875,0.029184918417823155,-0.10857933491499684,-9.32208816953599E-5,-6.088762612954698E-4,-0.0011999934037638885,-0.04912357744261392,-0.19836795934592066,0.004300005036343913,0.016584083582765842,-0.0632490163432878,6.658904753655374E-4,5.959020272889806E-4,5.156713672987812E-4,0.025581580248327785,0.22684056423695478,-0.0778599983334317,0.002726197402430084,-0.11789597158786673,-0.008589028384481048,-0.011299256228595702,-0.014406102781605187,-0.07420845444424673,-0.22296633921252687,0.023256896974951993,0.003934315512578371,-0.029967389364065886,2.476125947171119E-4,2.588200368676735E-4,2.716675925036505E-4,-0.08103067087030542,-0.22459704578815617,0.028043019111759084,-2.467112466193305E-4,-0.020276715064499715,-1.708708291734498E-5,-1.827383777041678E-5,-1.963426406535401E-5,-0.008530336555257924,0.1721295049868447,-0.0551661318358072,0.039668719473348935,-0.14450586642599236,-0.01841923342806687,-0.022653429602888287,-0.023624196530774137,1.6085031061476167,0.950286640974415,1.2810367383378087,1.0297775299973453,1.0716977793472118,0.759596667189268,0.7995232139098115,0.8758444316833738,1.2800712386997615,1.2218385097412214,1.0303636685381015,0.9477911666419696,1.130078503163322,0.9431896150573368,0.9479600413456285,0.9534285787980604,1.4547302453839122,1.359893157853993,0.9655358654973009,0.9684175735898217,1.0528972051568644,0.9768961356171681,0.9759497159779826,0.9748647959037942,0.7445548601938373,0.6984423210388596,1.2754561110197566,0.9217916682788919,1.35320985703421,0.7255066355967514,0.7652783539639142,0.8108703237994421,1.5245180174197215,1.4033436949697826,0.9450522756104975,0.9810159419687935,1.020477541202913,0.9769886052037782,0.9758019914471914,0.9744417268969581,1.5362768843808217,1.4075126723086773,0.9430595680356683,0.9843113543993363,1.0145895561103317,0.9734040691918365,0.9727271585744001,0.9719511878666072,0.6399819494584849,0.49858349140304814,0.9530078664705638,1.0660295887308011,1.7781400421179332,0.73088946923727,0.7753815228093222,0.8225631768953083,329.1718320192,164.83591600959986,263.26069740137524,329.6283537583301,14.331667554710004,164.83591600959986,0.4999999999997442,0.12110114427618984,0.005265267142443036,-4.855597112732294,224.6671929093212,9.7681388221444,12.453626378505962,329.19383852769647,164.8461848429468,263.2733769016198,329.6490191503982,14.332566050017311,164.8461848429468,0.49853115819709615,0.12098138846054912,0.005260060367849962,-4.857872687060835,224.72847777241867,9.770803381409507,12.454253688447709,348.92227280329485,174.06214192358917,274.85756886617446,348.1936741911884,15.138855399616887,174.06214192358917,-0.7979889561165123,0.01360632269254164,5.915792475018105E-4,-9.883607587945518,308.47705480079213,13.412045860904005,13.182789167017532,329.21693538778436,164.85696249411103,263.2866851957174,329.6707085012274,14.33350906527076,164.85696249411103,0.49698960043767215,0.12085569943388536,0.005254595627560233,-4.860263426958279,224.79296622015306,9.773607226963177,12.45491360548966,370.2793448327632,184.05737815204213,287.91438978085773,368.30298139353465,16.013173104066723,184.05737815204213,-2.1645885286789053,0.10280877144260164,0.004469946584460941,-5.232234589853048,216.33216264059536,9.405746201765016,12.366674537946933,331.4795964554937,165.91293241362507,264.5932351522038,331.79575453405386,14.425902371045819,165.91293241362507,0.34626837175645164,0.10854393277920021,0.004719301425182618,-5.107380638361192,232.05155899584167,10.089198217210507,12.528007043260622,349.5494576638201,174.89979997577024,280.71966960934463,350.3214217086819,15.231366161247037,174.89979997577024,0.9616780045349174,0.15571084020116843,0.006770036530485584,-4.277435534477318,319.92481993088427,13.909774779603664,13.266597870093875,0,11.890000000000002,15.995925211933631,-0.3129316663358348,0.26177755826216,4.351140169952774,7.804825241949949,22.0,62.0,60.0,60.0,20.0,2.0,2.0,0.0,0.0,2.0,46.602279999999986,3.598457643262077,3.5588146020144307,3.4586296849966707,3.3536501112707353,3.2166162682524027,3.1052964528897573,2.9150899937436066,2.7212098500140667,1.9468287479063326,1.9052169563150243,1.8176222694127602,1.755349450917131,1.700109882271217,1.5697482795907032,1.4309299127475248,1.276751428726525,3.6043517504993026,3.530099832794579,3.4581247667026016,3.351249028936155,3.2411600526502884,3.1164367501111623,2.9144874505439247,2.730671106900504,1.8933442933998685,1.8516461367070083,1.7780571838381505,1.7144664565146124,1.6324743438600442,1.5060160570287626,1.3650743296539984,1.2097678265291,3.716293715318364,3.6716130394308846,3.601201944133135,3.506638761632648,3.3944792084017057,3.2746208284438123,3.1052755454849046,2.935241127872971,1.7321910535629135,1.6696073490071752,1.590092936543586,1.4989541770320922,1.41785665007193,1.28675497807882,1.1085017996819462,0.9355414859957638,3.621286216049989,3.5433462076256035,3.4676160111578307,3.3580082129602564,3.2636984078021287,3.1353676741360736,2.9319520010860085,2.7488351623987843,1.8615355841281127,1.823583808649261,1.7593536373627865,1.6825140820176139,1.5893711820368341,1.4674092278529012,1.3256706004264605,1.1704931240220464,3.7658241503681484,3.7156998443581726,3.6467689803275003,3.562772675590632,3.463995261351686,3.339082945591204,3.175855543360621,3.0107897534354864,1.6838183915417555,1.6179732791944048,1.5438768995821261,1.4482203162921845,1.3520360781249616,1.2240526832362753,1.0381454628659335,0.8628338555337294,5.018658492370945,3.689805669613387,3.5558229176545773,3.520304691402697,3.4475232728555802,3.283777808071865,3.122790204314388,2.916135806855036,1.823362735130056,1.7904525472620083,1.6495971132243172,1.5583378229803817,1.4899897762749863,1.35539598888507,1.2092210593541663,1.0092052466839194,0,0,1,2,0,3,15,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696923425058676,0.0,0.0,0.0,0.2946278254943948,0.0,0.0,0.0,0.6064930722941141,0.9978909578906802,0.7056154632092395,0.1935384877364132,0.25300628127545316,0.178902457172664,17.175515818550565,11.163902460147016,8.473143428936055,5.174250263505163,3.78670860770851,2.2192740015548242,1.4808753481621026,0.9846370007774121,0.7467615573282854,0.5074501118248643,0.3683975403885241,0.24639286969072205,0.18031945750992906,0.12329300008637913,0.08711031459777074,0.06153981254858826,15.948042325108274,10.009141175279511,6.872903084019957,4.009850637747023,2.6618946710935565,1.6475357243239437,1.0471325527187934,0.6571011954953053,0.693393144569925,0.45496096251270507,0.298821873218259,0.19094526846414397,0.12675688909969315,0.09152976246244132,0.0615960325128702,0.04106882471845658,33.26615428455115,61.418062636562375,58.20784313725481,59.000000000000064,37.931568862275505,483.61683832335336,0.5280341949928754,0.9748898831200377,0.9239340180516636,0.9365079365079375,0.6020883946392938,7.676457751164339,6.901690000000008,100.41000000000008,174.74779572148026,278.3198098212297,349.4955914429605,15.195460497520024,174.74779572148026,0.09525166029923204,0.004141376534749219,-5.407835518577611,214.71059211668512,9.33524313550805,12.349369387781028,674,0.0,0.0,2.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,18.0,3.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,14.0,0.0,2.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.4772731167686,4.672195120686039,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5075484695864316,0.0,0.0,5.608073468262459,1.149423368788899,0.0,0.5075484695864316,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.068777659368194,0.0,17.262654282641705,0.0,4.7160586062299625,0.0,0.019099820535463108,0.0,0.0,-0.0438634855439235,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.356019457454313,5.121253659314286,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.121253659314286,-0.0438634855439235,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25238425334131714,0.0,0.0,0.21259071167196744,0.30796889348025713,0.0,0.25238425334131714,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9006785976304104,0.0,0.5797012233542653,0.0,2.3532197598710947,0.0,0.019099820535463108,0.0,0.0,-0.0438634855439235,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.356019457454313,5.121253659314286,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.356019457454313,2.362838846358868,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25516421624511454,0.0,0.0,0.5597050045913683,0.5194926697530864,0.0,0.25516421624511454,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.267420464107373,0.0,1.4121096952533736,0.0,2.362838846358868,0.0,0.019099820535463108,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.356019457454313,5.121253659314286,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,44.50000000000001,1.9347826086956526,0.5597050045913683,11.356019457454313,0.02895842734501164,-0.0438634855439235,12.277109898014016,1.7105301522105902,4.356019457454312,13.921504374211866,1.7105301522105902,4.356019457454312,13.921504374211866,11.16666,0.48551,0.0,0.01449,0.47037,0.76667,0.42958,0.46513,0.76667,0.04079,0.00524,-0.03555,0.0,0.63327,0.08102,0.0,0.16418,0.08955,0.0,14.25,0.61957,11.75,0.51087,2.5,0.1087,-9.25,-0.40217,0.0,0.0,28.80372,1.25234,34.61277,5.80905,0.25257,9.57614,0.41635,11.16389,1.58774,0.06903,0.25011,0.01087,0.25011,0.01087,0.0,22.02,2,2,2,2,0,0,0.8571428571428571,1.1024261191531155,1.9933947120682745,3.206597898358726,4.031451646929269,4.439282256998627,4.454801400311128,69.45284550664627,125.58386686030128,202.01566759659974,253.98145375654394,279.6747821909135,280.6524882196011,0.18443608685932256,0.33349529176827786,0.5364644017677435,0.6744625813958377,0.7426927153847037,0.7452890708358658,4.8748538043468015,3.9838852114316423,2.7706820251411908,1.9458282765706478,1.5379976665012896,1.5224785231887887,0.18373768652551925,0.3322324520113791,0.5344329830597877,0.6719086078215448,0.7398803761664379,0.7424669000518547,9.286541017775908,18.106177001379155,22.671393447171248,25.403928690891025,26.64457845166075,25.264387290798027,85.74042317841688,58.13080487028103,46.23025836991734,34.68290282968829,29.962626037792916,33.595616282702096,23.0,18.340264650283554,19.954648526077097,23,3,18,3.55,3.098899999999999,0.32316520350478267,5.299957113762431,1.5882190897322825,0.0,27.408212328519852,4.021051602672681,0.0,0.4999999999999999,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.464,0.45,0.6190000000000001,0.201,10.555,23.0,21.0,21.0,18.0,17.0,16.0,15.0,14.0,13.0,203.0,3.2188758248682006,3.332204510175204,3.295836866004329,3.367295829986474,3.2188758248682006,3.2188758248682006,3.2188758248682006,3.2188758248682006,3.2188758248682006,3.258096538021482,5.6131281063880705,1.3448275862068966,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.0,0.7727272727272727,20.0,0.9090909090909091,2,10.0,20.0,1.0,2.5,0.666666666666667,0.625,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407406,0.060000000000000026,0.049586776859504134,0.11363636363636363,0.028985507246376826,0.02976190476190476,0.011428571428571434,0.009259259259259262,0.0072028811524609835,0.005859375,0.004938271604938271,0.004285714285714288,0.0038143674507310874,0.24642756649804462,174.74779572148026,278.3198098212297,349.4955914429605,15.195460497520024,174.74779572148026,0.09525166029923204,0.004141376534749219,-5.407835518577611,214.71059211668512,9.33524313550805,12.349369387781028,26.3,384.0796718435245,5.523561956057013,4.51085950651685,5.187385805840755,5.905361848054571,6.591673732008658,7.315218389752975,8.00603417874901,8.732788324973118,9.426338455129521,10.155529493892987,110.83118973491844,3.8066624897703196,0.0,4.919980925828125,0.0,6.154858094016418,0.0,7.450660796211539,0.0,8.783396232190894,9.095826985187422,324.3028305200011,5.147663976507954,44.484106398896486,1.9340915825607168,5.348726305268756,5.348726305268756,0.0,1936.0,21.0,9.396000000000004,90.0,1.234784270904833,2.1409041218741818,2.894922160144992,3.658715357610494,4.95571301992326,5.955476098399326,7.236778463964073,8.369934407547763,9.634511486515875,10.80191775445622,87.81467495667975,91.8090380334718,88.88749631506366,123.00520149523669,148.15392581707613,170.11460357694128,200.74883041625876,232.10473273674802,264.09985760665967,293.64929223301334,296.75156025967294,350.7235298313374,372.8287521149347,506.05210322107246,649.429787041729,755.8331627250303,895.4086258883735,1034.4060904683995,1175.6080867861915,1315.2291469909585,9.17444926561117,15.663146599145604,20.924961178654183,26.352572815375616,35.846295388748985,42.51202078057448,51.64779403095984,59.80469985520635,68.89655588455156,76.84718894946187,2.1646151639178917,2.7878283337420466,3.087343661007607,4.1609579623044555,5.423135821102865,6.410189057213214,7.625319486855405,8.80659728716018,10.018903962317404,11.273131051891966,176.91002986194744,330.0128560786762,473.5180537473122,586.9061020301973,802.2914928288287,966.1784718571568,1179.9352645833503,1364.4447528268165,1574.8548440682828,1761.4015555437209,2.782787574239242,4.49218873684911,5.241186422534968,6.967804610299276,9.481120891304773,10.190817782779867,12.432492278973708,14.581073276237554,17.208795589316942,18.460578042000154,0.46116100204867244,0.6110497517563559,0.6834884018402355,0.9131031907045465,1.1948222206491006,1.3989577404691766,1.6693464799759066,1.9318109749033685,2.204391138750091,2.468439292600276,765.8756194246482,1177.8419772521922,23.133713877321043,141.46083664677892,-217.552964624936,-16.300102075362854,624.4147827778693,1395.3949418771283,39.4338159526839,0.8440921934744319,1.2981314366580137,0.0254962905133175,0.1559078065255684,-0.23977099472768226,-0.01796478248646463,694.9068703202693,1068.6989654521662,20.990061965218864,128.35257419598742,-197.39373593062194,-14.789676850662243,0.1701633677041493,0.20342190174859523,0.7010345059125962,2.0392151322621284,869.1844394686877,38.152016602739174,0.9579516326634452,0.042048367336554794,1526.008844585076,39.064163175282225,11.51292521440579,1925.650150220393,43.88223046086414,12.44110998007737,2778.3463045615654,52.71002091217158,14.058170051063033,4.528109568827532,4.528109568827532,19805.534889631435,19692.56975629244,209.0372545313112,1.0057364343372657,94.74643615100108,94.20602944889298,9.166354286216178,13.344893334530628,26.56413263500241,0.9905841110221758,15.944462392334282,18.224856010454356,7.483222382704716,78.57154879946,39.69146484926576,4.140784494379902,20.79329308856083,14.163497820915111,63.52557973779926,2.4855132326208498,4.919589689188799,47.475048019924465,6.6829515062397125,68.4544807962513,1.4525369930289813,6.213869314299595,35.66888510450449,3.4599064627487492,63.33748422339132,0.24090997535379713,4.209174768204978,26.95711630017467,3.098093452398992,59.78305253388397,0.6510925562874681,5.671649223435306,15.060057976711748,2.670026921896433,44.409230560418195,1.6496724539899636,1.344979684750901,18.515784508369077,0.6331879739380679,20.421713534959167,1.917034861236211,0.4506616562604174,3.004246089901599,0.40593662269732567,17.28961589904152,0.09356129198129076,0.4115517086134913,5.08402213163604,0.2560115925706679,15.8471071306872,0.010406021478314246,0.5909082229018546,2.885053995589747,0.12598195430874118,12.761665651205163,0.0018750373206996953,0.8320601946672666,1.2547904179513565,0.13697726847724634,9.112971177376647,0.054588093278712835,1.7921942077301198,0.28821704061547343,0.1436574823411246,6.409094992701372,0.08923944313372248,4.322024702503468,17.942952911780488,1.9653695978477908,23.178501975970647,4.162052861329162,1.0305166084115482,6.435236792368966,1.6578223550858124,22.787661840421652,0.37745735192866026,0.7943774256621698,12.102271698862376,1.0182281792158694,22.96212718072785,0.10705885553554148,1.0681620866224553,6.714818308327947,0.5145925990841426,19.606494906096522,0.018139479043243246,1.1471030998841834,3.7927266658049645,0.52316763937377,16.105170951660313,0.17625233339084667,2.1622742729866093,1.532025062343901,0.5157151018593807,11.64562277574799,0.32049912524375723,15.052398607111572,18.530412618162,7.213821203878493,73.30775711562059,35.932265616736885,4.4247954295816285,20.284927528418642,12.953298746515376,60.967579114976026,2.2667865908111353,4.468388859020056,44.87024869537236,6.116069889912231,65.89500587101199,1.2943050991527452,5.653246119586097,33.01034189905055,3.1534298224688064,60.29881711566623,0.21476921022740003,3.9575555690256867,24.622834975541547,2.8396183580805747,56.037226476183996,0.6145413593162403,5.41519978807963,13.564096883919387,2.4645719334351286,41.52480083346433,1.5232748865172911,6.366712633096036,17.726359341602688,2.8556256887376894,27.742178094274905,7.281984865756939,1.3374257022545195,8.688835014671485,2.93317442268543,27.510721583992172,0.6330195264509905,1.2174939299177883,17.41514055773355,1.6993410989082811,28.659544089752924,0.23211421934423432,1.595889289230126,10.152502790111926,0.8678105309972652,25.19553959222014,0.038962651459685166,1.4674631626871757,6.289244786989193,0.8530732344406979,21.805658228360585,0.25979923876060035,2.5458632528799883,2.9029636795114113,0.8137651099274581,15.929502063409648,0.5051603424517883,19.255254783682133,18.42782979132593,9.193341775286017,105.9690915351478,57.32824404777026,5.40974636586768,25.314939042480827,19.99174328934459,80.14934403558982,3.3774430041474024,6.841793352665631,59.24268830570946,9.085891909402635,85.90690845002841,2.1178165300785183,8.609235050281544,47.83435474565326,4.71544463801819,80.14818892654313,0.3507630438236083,5.5604982784417425,37.46863161236584,4.142794689342983,76.92309125559623,0.7864633613868632,7.115970571460319,21.44917163523221,3.488486071858901,57.29188851530224,2.1527151589255604,10.000232772213279,17.849233864239743,5.007460535108859,48.278903202427855,20.008855186058668,5.237337498286658,14.95907245455913,7.346537731284685,46.672261662503615,1.2216394771534163,2.2771887109805955,30.730303661019008,3.3232284367853437,50.9175242897992,0.5548043391086541,2.914930271145652,20.394135784280767,1.5851112535099103,43.287984198218375,0.09234832093189323,2.59462194668271,13.543014659213958,1.5614840063158406,35.156471294998916,0.496406716181146,4.456816876443728,6.498808470611324,1.5102945478018555,25.64629451324045,0.8237643143948454,63.54280953618495,0.9839010435341424,0.5205296090690239,0.9768717220248417,0.015125946015212074,0.5726942621327836,0.5217596835423866,0.430538564735626,65.04724018878812,96.10790004431485,193.69856634367312,0.9653075830372627,1.5249925104107964,61.194344069599246,0.4970225692176712,0.14954945407322914,0.9895445917664011,0.008037115240516528,0.5311642135653,0.14095613329783246,0.03580772101292054,61.84091609289015,39.640880312928864,106.03033858158197,0.9843168876496016,0.707928067876053,61.361258664251686,0.6687270861064412,0.2925357309252835,0.9845759960575342,0.01073010318280001,0.5340550469203984,0.24174719844973133,0.13552894447229827,62.32252148128341,59.179922927134584,133.50633678302165,0.9768639940863013,0.911331189842428,63.682083698963154,0.970661910044718,0.5075779105212063,0.9773138047707378,0.014896517660072741,0.5752019560498264,0.512580550522884,0.41189986480099267,65.16032351952907,94.63007852454248,191.1657077842667,0.9659707071561067,1.4996823713737029,61.66536845926079,0.7563537680121958,0.36031084786346196,0.9822136276705271,0.012047296510882417,0.5393654538773068,0.3046286466751982,0.20372276167588493,62.78203307513645,69.13205745082855,148.71928889390676,0.9733204415057907,1.04771686222839,63.902640423492635,1.0254908471643935,0.5495512314567363,0.9759453600305679,0.015661685141823527,0.5791961264650394,0.5682398240208116,0.48100967300857067,65.47768250211377,101.21290735990328,202.70354642868614,0.9639180400458519,1.6284456234944218,63.69295863253815,0.9764068552478056,0.5107210405105248,0.9771843215471535,0.01498014051920475,0.5753918601482985,0.5198356324738855,0.4173392841967718,65.18008652829647,95.2182470709026,192.16019841694734,0.9657764823207302,1.5125667768189557 +UMLCN0115,L,1-methoxyhexane,CCCCCCOC,Ethers,,C7H16O,Marquardt (2015),IQT,PubChem,,99.8,0,-1.1408999999999996,1.301652809999999,29.5731,23.79068799999998,0,0,24,8,16,0,7,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1282.0738719999983,1299.3619909999995,1259.5451059999984,1090.1838009999976,899.5234560000001,702.7667270000002,506.0099980000002,265.3733050000003,78.738912,3678.349000104552,4558.82937482659,5581.772296470927,5368.872307955945,4548.576429586405,3541.778084631285,2534.9797396761583,1616.245808649486,874.9221648086931,173.63075200000003,171.65246000000008,318.46567999999996,363.53239599999995,340.95828,278.07338000000016,215.18848000000014,152.16374800000003,83.01657599999999,27.279310477583977,34.43988896000001,46.23285239333904,47.84393469867807,41.49008326837606,32.46855440897998,23.447025549583977,15.296280366188006,9.348943289094002,4031.694210820485,3390.619200686401,6962.90416658339,8467.77370038458,8098.324457491478,6619.369302452881,5140.414147414284,3666.9717490339385,2028.241198422894,47.5,51.25,79.0,79.75,73.5,61.25,50.0,35.0,18.0,53.419744666666595,56.49399960869563,29.291746651162754,21.376152960784268,18.740072,18.019659666666673,16.86699993333334,12.636824047619061,6.561576,153.264541671023,198.20997281854739,129.80865805746342,105.27200603835186,94.76200894971676,90.81482268285346,84.49932465587194,76.964086126166,72.91018040072443,7.234614666666668,7.463150434782612,7.406178604651162,7.1280861960784305,7.1032975,7.130086666666671,7.172949333333338,7.245892761904763,6.918047999999999,1.136637936565999,1.4973864765217397,1.0751826137985823,0.9381163666407465,0.8643767347578346,0.8325270361276919,0.7815675183194659,0.7283943031518098,0.7790786074245002,167.98725878418688,147.41822611680004,161.92800387403233,166.03477843891332,168.7150928644058,169.72741801161234,171.34713824714282,174.61770233494946,169.0200998685745,1.9791666666666667,2.2282608695652173,1.8372093023255813,1.5637254901960784,1.53125,1.5705128205128205,1.6666666666666667,1.6666666666666667,1.5,0.18668818026392553,-0.026011654508452012,-0.09309987068012626,0.008406435052149872,0.012913794777359124,0.0021517790095997866,0.01054648518977919,-0.019631832651996705,4.7484663434270956E-4,719.4334713333333,-22.806314027777113,-292.41338113888855,-81.29051125000007,6.650654666666469,6.4021524166665245,6.153650166666495,-37.97481608333351,-76.72267266666674,1116.2736328932049,-165.15387308807306,-308.9694632115894,-151.34088355288955,-16.11276376149439,-16.651024301526345,-17.1892848415583,70.33686854686611,-156.7059627334772,1.1030393333333326,0.05466530555555707,-0.38357547222221977,-0.04586925000000066,-0.01104733333333429,-0.023929583333333844,-0.036811833333333405,-0.18952608333333293,0.0130183333333325,4.928582617861332,-1.1088996981551011,-0.8237126824925514,-0.6984181065659993,-0.17652327933333598,-0.18829552933333657,-0.20006777933333672,0.6589436466666633,-0.7278184962326675,27.133886145623816,-6.65244973027338,-3.64453675302955,-3.847279789369644,-1.1504171539791552,-1.2372762955807168,-1.3241354371822798,4.10176207946616,-3.988192658351412,7.458333333333335,0.498263888888888,-2.967013888888887,-0.49479166666666635,-0.12500000000000017,-0.2656250000000005,0.5937500000000001,-1.005208333333334,-0.7291666666666667,0.007778674177663564,-0.0011309415003674787,-0.0021651132716308434,1.648320598460759E-4,2.6903739119498176E-4,5.517382075896889E-5,3.51549506325973E-4,-9.34849173904605E-4,3.9570552861892465E-5,29.976394638888888,-0.991578870772918,-6.800311189276478,-1.5939315931372562,0.13855530555555143,0.16415775427350063,0.2051216722222165,-1.8083245753968338,-6.393556055555561,46.5114013705502,-7.180603177742307,-7.185336353757894,-2.9674683049586186,-0.3356825783644664,-0.42694934106477805,-0.5729761613852767,3.34937469270791,-13.058830227789768,0.045959972222222194,0.002376752415459003,-0.00892035981912139,-8.993970588235423E-4,-2.3015277777779772E-4,-6.13579059829073E-4,-0.0012270611111111136,-0.009025051587301568,0.0010848611111110417,0.20535760907755551,-0.048213030354569614,-0.019156108895175612,-0.013694472677764693,-0.0036775683194444995,-0.004828090495726579,-0.006668925977777891,0.03137826888888873,-0.06065154135272229,1.1305785894009923,-0.2892369447944948,-0.08475666867510581,-0.07543685861509106,-0.0239670240412324,-0.03172503322001838,-0.04413784790607599,0.19532200378410286,-0.332349388195951,0.31076388888888895,0.02166364734299513,-0.06900032299741597,-0.009701797385620908,-0.00260416666666667,-0.006810897435897449,0.01979166666666667,-0.04786706349206352,-0.060763888888888895,-0.1453900079289827,-0.278339627316948,0.0211902512023695,0.03458653557794228,0.007092959481115731,0.04519401356794789,-0.1201810427526353,0.005087056220392824,-0.03307865681373589,-0.22685553987384188,-0.05317289194843404,0.004622147100232036,0.005476234091892291,0.006842773278548603,-0.060324952255961545,-0.21328635856898856,-0.1543837202524901,-0.15448548403246906,-0.06380087930090925,-0.007217210586499588,-0.009179455541735432,-0.012319047470112783,0.07201190662959998,-0.2807662173786549,0.051713530286030394,-0.1940897565383708,-0.019569138433653648,-0.005007678783289519,-0.013350292225207224,-0.02669847373227556,-0.19636764669187176,0.023604477084224574,-0.2347759626299576,-0.09328170979990862,-0.06668597642560606,-0.017908118116313022,-0.02351064816840168,-0.03247469625174346,0.15279817986699673,-0.29534596563118626,-0.25583090596801367,-0.07496751616357067,-0.06672411747604323,-0.02119890139961938,-0.02806088273511978,-0.03904005287192046,0.1727628716970389,-0.2939639856191136,0.0697109545785765,-0.22203455891905918,-0.0312191915872494,-0.008379888268156433,-0.02191663085517838,0.06368715083798883,-0.15403032721468482,-0.19553072625698323,1.1722313551264765,1.7423994152310285,0.6937848664643576,0.7297782572369803,0.8789696132960638,1.0665498097774004,1.622777741056794,0.23839021151556103,1.3683436415260781,1.3687229192548689,0.980656968423849,0.8806800360345949,0.885430206915508,0.8930304803249695,0.9739464584893645,0.9676079574944659,1.6442814091367384,1.2408945346791616,1.0411510434521138,0.9129485944961593,0.885752868091628,0.8422397058443782,0.6750246569290171,1.1596463350302704,0.9194522528359524,1.687931964502816,0.7363237326825638,0.7617392308161876,0.9121655331164937,1.1528476167969834,1.738671668488617,0.12362841095421796,1.7864808123299125,1.192696288531291,1.0491429836739783,0.9190212534911182,0.8902499530198579,0.8442158722658412,0.5652169637700697,1.1741589999749027,1.8167057348710147,1.1863736182997169,1.0456977876749718,0.9179697008624376,0.8921667720864214,0.8508820860447956,0.5516924147859091,1.1585051912533193,1.0055865921787708,1.5239703780693776,0.770949720670391,0.7870111731843573,0.9290932531155993,1.053631284916201,1.5786113328012767,0.7709497206703909,40.88010524162112,20.56505262081057,33.17129238553448,41.06760524162114,5.133450655202642,20.56505262486939,0.2500000000000142,0.06585114335171405,0.008231392918964256,-2.17628679037717,32.62196094309239,4.077745117886549,2.787988568107549,40.88822303778453,20.568744308441616,33.176418507931366,41.075172222108556,5.1343965277635695,20.568744312484394,0.24926557909870795,0.06565744401167767,0.008207180501459709,-2.178643436238776,32.61903908573888,4.07737988571736,2.7879169111469464,48.229670317433694,23.915337919687826,38.07882823049458,47.930424458890165,5.991303057361271,23.915337919809023,-0.398994478058043,0.10220924821410371,0.012776156026762964,-1.8245864911799103,39.214311819380534,4.901788977422567,2.935233422078195,40.89674330039614,20.572619050307537,33.18179947754381,41.08311440056034,5.135389300070043,20.57261905433354,0.24849480021893555,0.06545415328127024,0.00818176916015878,-2.181124265059604,32.615993610694744,4.076999201336843,2.7878422156976956,56.231161866828785,27.574433801244822,43.970248827100804,55.41944116857443,6.927430146071804,27.574433801247732,-1.0822942643391436,0.25515601102911734,0.03189450137863967,-1.092704090355661,42.46788445295779,5.308485556619724,2.9989985042760696,41.73263075655266,20.952882471215496,33.713209596778285,41.86248139596141,5.232810174495176,20.952882473896445,0.1731341858783324,0.04557261107703042,0.005696576384628803,-2.470758701752379,32.419844743879715,4.052480592984964,2.7830165819172876,43.52666100163749,21.87570884659106,36.08470159066607,43.73244331456267,5.466555414320334,21.87570884778571,0.4115646258503425,0.13293557301571884,0.016616946626964856,-1.614312545233691,33.91653265657998,4.239566582072498,2.819122067591554,0,11.99632008197338,15.997942763063634,-0.41093287769046816,0.06317927103884666,4.306357953374992,6.97370424682296,7.0,23.0,23.0,23.0,7.0,0.0,0.0,0.0,0.0,0.0,19.407311999999994,3.468967611962356,3.185982464911949,2.814883643968703,2.3999901517923856,1.911927378178075,1.4580057729463969,1.1586478679576866,0.7633193591576567,1.8828317141257966,1.6419778663582096,1.4198157813374837,1.2158317780576464,0.8961382281306941,0.6571922943249568,0.5284461214685764,0.08392307051869083,3.47909359837259,3.1527713888912556,2.7903165738147964,2.460035125698332,1.9736122683024302,1.5365644579889768,1.2705361953085765,0.5176387570963102,1.8284580323735762,1.6003454939010868,1.3630413644732942,1.1096321752247091,0.7773291329464568,0.5170016729023542,0.37356407598438246,0.2709139018929366,3.6225833888500736,3.36237428430739,3.0529641485350787,2.720364216494988,2.310201788917231,1.9590102633460502,1.7525182128986232,1.1528682175742548,1.6338226945526644,1.3389550817996987,1.0344666348111802,0.7701230720155747,0.3596542745365002,0.023389648273617687,0.1656186549126063,0.9439184268026212,3.4973088747920356,3.1639477501713653,2.8013301076552137,2.504478068910082,2.02577116117312,1.6049433436641702,1.3556113481273246,0.4436461067318903,1.7954905562386319,1.5757919220839,1.320798729868035,1.0395628912444215,0.6981533998366284,0.4231559491163613,0.26890307331626917,0.39927724550898175,3.6802553352375007,3.4216383742847367,3.1366022263422626,2.840511943649714,2.4542147687401523,2.1351511332649933,1.953713495944444,1.2085945586945797,1.5771287029839336,1.2752164540489586,0.9519922442311763,0.6559696671171404,0.22038070285523537,0.14957036154290265,0.3633354074649743,1.2076448229620866,3.6268256754478347,3.414341162417417,3.046653086373692,2.6076573700370957,2.1713550541745246,1.774402395914997,1.5087735536703941,1.3295914181847999,1.7598308228198454,1.4261788894911398,1.0595667936595863,0.9015077276073947,0.55764989184591,0.27136986075789865,0.1121913822128896,0.6086956521739123,0,0,0,0,0,2,4,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.242640687119286,3.914213562373095,2.414213562373095,1.4571067811865475,0.8535533905932737,0.47855339059327373,0.25,0.125,0.7803300858899107,0.5591733660532993,0.40236892706218247,0.29142135623730947,0.21338834764831843,0.15951779686442458,0.125,0.125,5.943782196396601,3.4040302062452237,2.0534594516065656,1.2020151031226116,0.6731763352100091,0.35100755156130586,0.14433756729740646,0.07216878364870323,0.7429727745495751,0.4862900294636034,0.3422432419344276,0.24040302062452232,0.16829408380250227,0.11700251718710196,0.07216878364870323,0.07216878364870323,12.049421534703852,23.433357611070644,22.152941176470595,22.48,13.868675449101792,185.63786706586828,0.5020592306126604,0.9763899004612768,0.9230392156862748,0.9366666666666666,0.577861477045908,7.734911127744511,2.2131000000000003,36.01799999999999,21.836353346989743,34.97342453153384,43.67270669397949,5.4590883367474365,21.83635334804216,2.7755575615628914E-16,3.469446951953614E-17,-28.656407870242358,32.7162929366335,4.089536617079188,2.7902985670066807,74,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.888390022675737,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.711797052154195,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.970980725623583,0.0,6.14062925170068,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.888390022675737,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.888390022675737,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22040816326530613,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7558985260770976,0.0,0.9305555555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.888390022675737,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.888390022675737,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2150821995464853,0.0,1.3505555555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.888390022675737,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,1.875,0.45,4.888390022675737,0.22040816326530613,0.9305555555555556,4.6752469727891155,0.5694444444444444,1.388390022675737,3.206944444444445,0.5694444444444444,1.388390022675737,3.206944444444445,3.83333,0.47917,0.0,0.02083,0.46528,0.79583,0.42308,0.46528,0.79583,0.0422,0.0,-0.0422,0.0,0.60209,0.1122,0.0,0.26087,0.0,0.0,4.0,0.5,4.0,0.5,0.0,0.0,-4.0,-0.5,0.0,0.0,6.8107,0.85134,7.95768,1.14698,0.14337,3.33736,0.41717,3.91421,0.57685,0.07211,-2.1E-4,-3.0E-5,-2.1E-4,-3.0E-5,0.0,7.01,1,1,1,1,0,0,1.0,1.0994839817876882,1.5849625007211565,3.022055208874201,3.5220552088742005,3.3716535224393334,3.2346970025308774,26.387615562904518,38.03910001730776,72.52932501298082,84.52932501298082,80.919684538544,77.63272806074106,0.23980217539723678,0.34568712404340535,0.6591232116726952,0.7681753576654609,0.7353721043321543,0.7055012995247181,3.4854785189334687,3.0000000000000004,1.562907291846956,1.0629072918469564,1.2133089782818236,1.3502654981902795,0.24305712897675427,0.35037930642221105,0.6680698171554151,0.778602181884167,0.7453536737624907,0.7150774177414867,9.670323248283523,15.496065475485139,19.692447222066445,20.196359738066445,18.78302259358332,19.90675294456302,29.54361367989457,21.546492719691546,17.918546878906263,16.610276044371002,18.735585840852515,17.391249850328318,8.0,7.0,7.2,8,0,6,2.12,1.1536000000000006,0.14285714285714285,3.2088441599414264,0.0,0.0,5.6762400186093895,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.296,0.29000000000000004,0.31200000000000006,0.05400000000000002,3.627,6.0,5.0,4.0,3.0,2.0,1.0,0.0,0.0,0.0,36.0,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,0.0,0.0,3.6109179126442243,1.0,0.42857142857142855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.7142857142857143,7.0,1.0,0,4.0,7.0,0.75,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.0,0.0,0.0,0.0,0.07142857142857142,0.037037037037037056,0.025,0.020000000000000004,0.018518518518518517,0.020408163265306124,0.0,0.0,0.0,0.0,0.1923922902494331,21.836353346989743,34.97342453153384,43.67270669397949,5.4590883367474365,21.83635334804216,2.7755575615628914E-16,3.469446951953614E-17,-28.656407870242358,32.7162929366335,4.089536617079188,2.7902985670066807,9.23,138.4185777824279,4.0,3.295836866004329,3.8918202981106265,4.51085950651685,5.1298987149230735,5.75890177387728,6.385194398997726,7.016609683894219,7.645397699428633,8.27715777243181,66.91167671418455,2.70805020110221,0.0,3.6635616461296463,0.0,4.762173934797756,0.0,5.926926025970411,0.0,7.126890808898808,7.492760300922379,116.120115132,4.8383381304999995,14.83110795092203,1.8538884938652538,2.697953868098627,2.697953868098627,0.0,84.0,5.0,2.508,26.0,1.2272608695652172,2.1008486698918465,2.8443046908653202,3.5603592714517265,4.874435520090062,5.8876462355373285,7.15228497211788,8.255310362232285,9.236874046177105,0.0,80.56530998586953,68.59285574585279,73.8097762212744,86.42053079858307,104.63376423458205,117.5486074373281,101.64370782536328,57.59954465153024,9.385255190854894,0.0,265.9636693464323,292.1492388677309,328.2749706486561,396.03341244781456,485.40915421766306,546.1283371812164,586.0679879007555,627.7793882001525,287.1166321920619,0.0,9.23073177095652,15.607002210341875,20.34707625024191,25.582991865476515,34.96897547254637,42.58927774215912,52.11799492418682,57.234140795990534,62.05760575177521,0.0,1.9488252144556517,2.377261651515549,2.8224546326454414,3.440123726039326,4.304068316474343,4.883990078100279,5.418782669249318,6.638511248838809,4.106833401395139,0.0,179.2313062683623,336.6939082894947,468.95582494173186,588.2753406005955,819.5324582165243,998.4489268397115,1242.774148978893,1385.475588208849,1708.061060662795,0.0,2.847891304347826,3.9455847368587014,4.580861063431335,5.881517919082703,7.99100339800605,10.396776340517366,12.350712044575646,12.692377758681799,9.236874046177105,0.0,0.4305772826086957,0.5362979012034534,0.6278123208577042,0.7733626031522198,0.9836213022514406,1.1464755532267636,1.2760236327218264,1.4558842548440394,0.9458559023285356,0.0,425.31218411010406,271.85449997354584,14.088945281875422,151.33498507547463,-96.73152623708197,-14.931325974546553,273.9771990346294,368.5860262106278,29.020271256421974,0.7375605167901699,0.47143992808894997,0.024432523100345372,0.26243948320982985,-0.1677482027245528,-0.025893348259447183,245.25506698722725,156.76412784010623,8.12435041360398,87.26689074251426,-55.779960775613866,-8.610106855409374,0.08808450182503855,0.600522096967603,1.3991016936090412,10.842786888499367,558.5915689949261,18.055600190652626,0.9686886519946792,0.031311348005320566,505.7676435333591,22.48927841290954,7.967407204104734,660.7602208419612,25.705256677223847,8.709929302139654,763.5468235410195,27.632351031734878,9.13997956868987,3.2097436343746577,3.2097436343746577,976.8729636183124,954.8324934297398,45.42833261426847,1.0230830751364606,21.503605952543563,21.018435819276334,4.343583576505287,5.41631452955087,9.835698331271734,0.8159392844727072,4.462409046688587,5.508188637894627,6.489942384810307,21.18908629105323,10.66872130114677,2.143077477173114,5.317086002080652,7.674102745034588,8.316253362581772,2.583638068784993,2.9188846499352414,3.9273113009443494,7.1382564529404995,0.1237114470599289,3.818931627854518,1.4368106831464451,3.6199214211155635,0.1350668815755772,0.13450303298475463,1.3669653909998368E-19,2.6800356237172275E-59,1.0134434480412002E-120,7.391530556455758E-204,1.0397888086266157E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.3744993083959115,5.762017917276746,0.5786143751361458,4.483007594570621,0.23125962483232865,0.42404262382565977,0.6597537273307258,0.2677158969033604,2.4108178425665883,0.11306224933964569,1.0638530501396788,0.21022438899248075,0.22524351607691437,0.08978873003331618,0.2628600013095244,1.013573784343108,0.08244621478403838,9.516351027477421E-4,9.473158589904814E-4,9.627649019126928E-22,1.8875710031717596E-61,7.137765069046753E-123,5.205915407972205E-206,7.323317597786E-311,0.0,0.0,0.0,0.0,0.0,0.0,1.208928731785279,5.289563915595574,1.2444573617471828,5.832113297366504,1.1841234287631246,0.5317015442787469,1.3940354342575692,1.1065529026210807,3.0673388591488453,0.43335216927736203,1.2353287040980034,0.7247670475455483,0.9047452228795803,0.06188090421210051,0.5993900179811378,1.0804640843851363,0.4119994024656741,0.009914039041700413,0.009871761635047223,1.0032752573571366E-20,1.9669945177942814E-60,7.438101526526215E-122,5.424965233294758E-205,7.63146156764743E-310,0.0,0.0,0.0,0.0,0.0,0.0,4.212150201245375,5.7612679865996235,7.32517032868104,19.684675056654815,9.613136003182996,1.9604036839719414,5.645563794915604,6.982619525747078,8.464518856215106,2.367295508721705,2.7867253455410674,3.6597329399363243,6.5918195265615696,0.14124548541476162,4.130121606475397,1.4040014833233196,3.264498825521399,0.12034239942841642,0.11983978085835063,1.2179415531613923E-19,2.3878634905968956E-59,9.029598666325586E-121,6.585720652067841E-204,9.26433108604346E-309,0.0,0.0,0.0,0.0,0.0,0.0,1.781738408021879,5.110042376401641,1.5100853293183922,7.3290911203353755,2.1879015564354547,0.6782705715172911,1.7873856143914175,1.8822054398790153,3.517269515158818,0.7078567274352763,1.4173715950104002,1.138735525889414,1.5540522536292256,0.054710747228140115,0.7769935582329239,1.132172540020415,0.7547749203183033,0.021533761200703903,0.02144278540153918,2.1792479232689827E-20,4.27257493549327E-60,1.6156550444038317E-121,1.1783749406525656E-204,1.65765542914038E-309,0.0,0.0,0.0,0.0,0.0,0.0,5.3890051835051125,5.668621626438364,9.112902656025161,28.456410079708537,15.050110944509134,2.9378340883218623,6.920679492915647,10.504674567697489,10.700246445386904,3.4585684462939508,3.622893669988314,5.1997307869988445,9.992241144584897,0.14952696224540254,5.462982614818446,1.566121610945101,5.093557436558378,0.19698121786131306,0.19616003280166933,1.9935905532157605E-19,3.908580083228319E-59,1.4780120239588316E-120,1.0779852648923132E-203,1.516434256394234E-308,0.0,0.0,0.0,0.0,0.0,0.0,2.790060413871105,5.954323867799749,6.417140968077542,11.441131186499476,4.3292570042599845,1.1122017262278556,4.707598149914404,3.352480315461321,6.736158611132194,1.1858590372497773,2.0390902502117934,2.3395503634437285,3.3203629160011383,0.2088906785740788,3.283411320220817,1.7429508090334593,1.6156835477625915,0.05004536109724403,0.04983477214558018,5.0647488967101706E-20,9.929810628517517E-60,3.7549133424588895E-121,2.73863892072841E-204,3.852525642548524E-309,0.0,0.0,0.0,0.0,0.0,0.0,9.184200723690829,0.6745841599678095,0.4834640125000001,0.8880274315484772,0.06522606125040815,0.5390564764824054,0.573122788604754,0.5833148648848309,10.342248896158639,10.961884028394678,24.299442109044996,0.8320411473227157,1.6954941299719901,8.21321445340505,0.29928531451988283,0.1006502477573921,0.9535668644399441,0.03474748657285215,0.43308966507601254,0.10299660588075658,0.02528159303905258,8.613150015682324,3.314879681582965,12.175437514773112,0.9303502966599161,0.5613678639958216,8.497360504782094,0.4483780771006991,0.2608798206764568,0.9229621706076144,0.048701711909343304,0.461707900480329,0.24897705585474506,0.16984615283268056,9.20661840255925,6.143792840625665,16.344371229027807,0.8844432559114216,0.8805311091677547,9.17578988299028,0.664280465695823,0.46738561089078157,0.8902089826020407,0.06444659752134331,0.5381040907821721,0.5538274322065392,0.5451617982739216,10.307455959576885,10.694405267728726,23.850715795660054,0.8353134739030612,1.6370933212626329,8.6657494741527,0.5156818320008703,0.3340526871604982,0.9106998109861333,0.05419396768080398,0.47995054346816624,0.3336235893021012,0.27848684103258353,9.515483993314069,7.535851364291764,18.544139838925314,0.8660497164792,1.092060973802851,9.275856347631844,0.702117885666476,0.5089575229098284,0.8845157538229081,0.06695169778813807,0.5498686229433475,0.6210607293240682,0.6464542808800031,10.486931756208149,11.591109695982839,25.392751834840894,0.8267736307343622,1.817383633147419,9.203717478450768,0.6657833300746332,0.47244040309446284,0.8899409975479046,0.06437701747197914,0.5413602455003751,0.5574402598616552,0.5570174520645824,10.341941211619865,10.790432612189925,24.02733822290216,0.8349114963218568,1.6558179574266125 +UMLCN0116,L,diisoamyl ether,CC(C)CCOCCC(C)C,Ethers,,C10H22O,NREL (2014),IQT,PubChem,,96.2,0,0.43890000000000085,0.19263321000000075,45.402300000000004,33.071445999999966,0,0,33,11,22,0,10,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1720.9626189999976,1804.7968819999994,2126.682698999998,1847.3039039999967,1623.5039669999949,1212.6935579999965,1044.2334049999986,871.8622120000002,796.1714920000003,5135.402171938114,6517.799778297688,8684.604044407928,9039.562691053607,7412.3084547232265,5667.310963496523,5349.406489827572,5088.6180112147695,4306.947079698876,236.56308400000015,236.97980000000013,446.84146799999996,563.3792160000004,616.9163160000003,445.0642799999997,276.50872400000014,374.86695999999995,312.0057760000001,38.31368790667801,49.48785482000002,70.43798772158395,78.9907226803759,68.20348189445008,48.51367188716806,46.453555298792054,48.10273615577209,40.08763158122505,5521.583191235979,4689.737555233801,9740.931832199587,12677.36055267838,14897.438872495954,10431.56779879877,6094.499237179394,9053.567730722774,7580.079488372627,62.80555555555556,68.33333333333333,111.08333333333329,136.16666666666666,137.25,104.33333333333331,64.11111111111111,75.33333333333334,65.0,52.150382393939324,56.39990256249998,34.86365080327866,23.683383384615343,18.660965137930976,20.21155929999994,26.775215512820477,16.145596518518524,17.692699822222227,155.6182476344883,203.68124307180275,142.370558105048,115.89182937248214,85.19894775543939,94.45518272494205,137.16426896993775,94.23366687434758,95.70993510441947,7.168578303030308,7.405618750000004,7.3252699672131145,7.222810461538466,7.090992137931038,7.4177379999999955,7.089967282051286,6.94198074074074,6.933461688888891,1.1610208456569096,1.5464954631250005,1.1547211101899009,1.012701572825332,0.7839480677522997,0.8085611981194677,1.1911168025331296,0.8907914102920758,0.8908362573605566,167.32070276472663,146.55429860105627,159.68740708523913,162.53026349587665,171.234929568919,173.85946331331283,156.26921120972807,167.65866168005138,168.44621085272505,1.9031986531986533,2.1354166666666665,1.8210382513661194,1.7457264957264955,1.5775862068965518,1.7388888888888885,1.6438746438746439,1.395061728395062,1.4444444444444444,0.19487710765762534,-0.0376039657584166,-0.06524232582520542,-0.03610641976917047,0.09903573404784646,-0.08157743037294946,-0.0029346637624025913,0.021289793211225767,0.012895504318905009,961.7462182424237,-23.277426053261223,-130.00369717539152,-499.3135175427003,346.88660475482163,-11.027399107438129,-335.5700795592295,8.766810512396987,129.70138030578562,1566.919921982583,-163.3999281584979,-163.52820126388298,-877.619464914882,233.2540411598853,625.7870365247255,-572.4198840433347,-14.303512884742108,210.5392007647115,1.159840242424241,0.06258982552800908,-0.18977378145086965,-0.22808736088154014,0.3023823911845722,-0.7566627438016494,-0.07608974104683217,0.06630651239669212,0.08320876033057661,6.949992823922971,-1.0865281913561935,-0.5847761760126883,-3.844845226558525,-0.17493744374553719,4.434248046289014,-2.3929421249967704,-0.12096443695867948,0.8792332032622199,38.130881807322915,-6.501206483183873,-2.997334772182645,-20.809678770579854,-2.9970515007118723,26.62275521361961,-12.7088194055061,-0.7266672405495388,4.694303422589559,8.925925925925918,-1.6604938271604932,-0.15432098765432184,-4.814814814814812,6.277777777777789,-4.7037037037037,-1.2685185185185193,-0.055555555555557704,3.0277777777777786,0.005905366898715919,-0.0011751239299505189,-0.0010695463250033675,-4.629028175534676E-4,0.0011383417706649019,-0.0013596238395491575,-7.524778877955362E-5,3.942554298375142E-4,2.8656676264233354E-4,29.14382479522496,-0.7274195641644132,-2.1312081504162546,-6.401455353111542,3.987202353503697,-0.1837899851239688,-8.604361014339219,0.16234834282216642,2.882252895684125,47.48242187826009,-5.106247754953059,-2.6807901846538194,-11.251531601472847,2.681080932872245,10.429783942078759,-14.67743292418807,-0.264879868235965,4.678648905882477,0.03514667401285579,0.001955932047750284,-0.0031110455975552403,-0.00292419693437872,0.0034756596687881866,-0.012611045730027491,-0.0019510190012008248,0.0012278983777165209,0.0018490835629017025,0.21060584314918093,-0.03395400597988105,-0.009586494688732594,-0.04929288751998109,-0.002010775215465945,0.0739041341048169,-0.06135749038453257,-0.002240082165901472,0.01953851562804933,1.1554812668885732,-0.20316270259949604,-0.04913663560955155,-0.26679075346897246,-0.03444886782427439,0.44371258689366017,-0.3258671642437462,-0.013456800750917385,0.10431785383532352,0.2704826038159369,-0.05189043209876541,-0.002529852256628227,-0.061728395061728364,0.07215836526181367,-0.078395061728395,-0.032526115859449214,-0.0010288065843621797,0.06728395061728397,-0.19899253511344764,-0.1811142886373297,-0.07838680059898101,0.1927639366340517,-0.23023528645524097,-0.012742271576032934,0.0667622243629337,0.04852649590741694,-0.02495964648688104,-0.0731272633359174,-0.21965048850281252,0.13681122438524185,-0.006306309704211565,-0.2952378788575819,0.0055705915048173855,0.0988975508855092,-0.10753974951077555,-0.0564585814836295,-0.23696204103321822,0.056464704764770696,0.2196556858203152,-0.30911297999540666,-0.005578482683867495,0.09853433588282498,0.05565055877079157,-0.08851607399372402,-0.08319981951376453,0.09889014441357596,-0.35881192415005414,-0.0555107718154836,0.03493640329288017,0.05261048491317708,-0.16122062651333943,-0.04551865487389198,-0.23405280111371307,-0.009547575629426524,0.35091207822029663,-0.29133802494297606,-0.01063637234563681,0.09277290380879595,-0.17582518074616926,-0.04252482235550596,-0.23089145719114454,-0.029813436886810565,0.38400673347865605,-0.28201856108080947,-0.01164605704699414,0.09028086981992,-0.1918438796680499,-0.00935310523093673,-0.22821576763485485,0.26677636285591716,-0.2898340248962656,-0.12025215448451981,-0.00380359612724773,0.24875518672199198,1.2622178951131207,1.5918450223911564,1.2539974175406394,0.8598519292648604,2.8636517998249387,0.32919453737840293,0.20760952251283646,0.1651875188227317,1.4012326926148713,1.2443782751585049,1.2830296575334235,0.7463292237503967,1.0834240157147355,1.3427354723854572,0.8205605664577792,0.7161255852722437,1.6024113211966688,1.197966171782407,1.2905328231681725,0.7756054265458138,0.5535515819696326,1.5325346515772569,0.936548953741657,0.8173518141745373,0.9357668067556226,1.5540374282699685,1.2656696244943846,0.9858816357434578,3.1662493956848006,0.21810819922743793,0.13328834397232317,0.11632437292130024,1.7013098333912828,1.199112464512759,1.294221345767506,0.8263999361621684,0.39457552655422135,1.5446335908104027,0.9439427499396905,0.8238045817655482,1.7228823861823839,1.2046645501184101,1.2950259165009745,0.8455342923250289,0.3823584279999736,1.5293046627696132,0.9345750716925417,0.8156291534771271,1.3475103734439844,1.243997007006328,1.3865304819661681,0.7119759622263564,2.330290456431537,0.5949569103096078,0.4315352697095439,0.21244813278008318,71.12923509901006,35.68961754950503,56.24115133804871,71.33378055355551,6.484889141232321,35.68961754950503,0.2500000000000071,5.551115123125783E-17,5.046468293750712E-18,-41.17294252526076,2000029.9634154332,181820.90576503938,15.959539992131685,71.14545523476018,35.697360406929434,56.255368914286066,71.34939979947727,6.486309072679753,35.697360406929434,0.24926557909869018,2.7755575615628914E-16,2.5232341468753557E-17,-39.40256082158324,2000029.9580844385,181820.9052804035,15.95953998919968,85.51928417728608,42.56014484961403,69.01519098438972,85.19283414978406,7.744803104525825,42.56014484961403,-0.3989944780580146,2.220446049250313E-16,2.0185873175002847E-17,-39.64801872802887,2000027.331398649,181820.66649078627,15.959538544543188,71.16247854050759,35.70548667036325,56.27029106857511,71.36579246795944,6.487799315269038,35.70548667036325,0.24849480021890713,3.3306690738754696E-16,3.027880976250427E-17,-39.20200710910989,2000029.9524994045,181820.90477267315,15.95953998612796,100.76135937444147,49.83953255505114,82.75815996429017,99.87584588543669,9.079622353221517,49.83953255505114,-1.0822942643391755,1.3322676295501878E-15,1.2111523905001707E-16,-37.677083311878015,2000026.3548897149,181820.5777172468,15.959538007470483,72.82776335405907,36.500448769968685,57.73275605302421,72.9694185970504,6.633583508822764,36.500448769968685,0.17313418587830398,1.3877787807814457E-15,1.261617073437678E-16,-37.632179117905736,2000029.4514031326,181820.8592184666,15.959539710529102,79.1073330476909,39.676682396861324,62.1823892157206,79.3086317489896,7.209875613544509,39.676682396861324,0.24603174603173983,5.551115123125783E-17,5.046468293750712E-18,-41.17294252526076,2000033.8689862664,181821.26081693333,15.959542140161364,0,11.890000000000002,15.994917142939322,-0.38062841996465857,0.057281710274655596,5.650339255323158,7.452178014758315,10.0,32.0,32.0,32.0,10.0,0.0,0.0,0.0,0.0,0.0,25.966553999999995,3.52530637225775,3.4141514179632586,3.0383919292324184,2.6356266104398767,2.3335527931030473,2.3335527931030473,1.987861898071972,1.6063531782667562,1.8903044192163618,1.8494557121026374,1.4966013001573106,1.3383051683349532,1.2496297225843558,1.249629722584355,0.8373125818602392,0.7305982314199235,3.5149065784020848,3.443368613330524,2.983126076123753,2.685713071228755,2.405454587841289,2.405454587841287,1.9691813187363196,1.6961584837903352,1.8491436171772673,1.785761682726473,1.465184360666145,1.2426646083459467,1.1345406859483513,1.134540685948351,0.7467609977802856,0.5933032858878271,3.661869824202824,3.572288206522689,3.21820303230838,2.903156547410754,2.7042369872335197,2.7042369872335197,2.3230444969056263,2.0685708337693343,1.6557635706763603,1.5980779486110808,1.175264342338586,0.9456763963370477,0.7603185604308982,0.760318560430898,0.31915805220981774,0.13791278249434322,3.5265887457552854,3.464922761178472,2.9849888551848207,2.7225263915466686,2.457539916041694,2.4575399160416938,1.9964024156884845,1.761267965365729,1.8248057911823168,1.7451566929125066,1.4427982393249539,1.1803369868265556,1.0582626705327125,1.058262670532711,0.686863653491977,0.5015856738130384,3.7105209626304974,3.6352156702985345,3.277002317847007,3.0062166509987494,2.838982085149649,2.8389820851496474,2.4419097090474198,2.234734629609964,1.605919530564912,1.539572800509322,1.1125901043437016,0.8486917828168281,0.6313372621875608,0.6313372621875595,0.19765212049131367,0.021910864779301906,3.652130737688038,3.4853921729612485,3.2847572574464095,2.7692560717969985,2.657839583124695,2.657839583124694,2.2758564372665213,1.8316859427368628,1.7622066574505204,1.7149137029320538,1.2468992791922204,1.0968244267716827,0.8578395831246945,0.8578395831246937,0.5005990365604547,0.3898450391718313,0,0,0,0,0,6,2,2,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8164965809277261,0.0,0.0,0.0,0.8164965809277261,0.0,0.0,0.0,0.5773502691896258,0.4082482904638631,0.2886751345948129,0.5773502691896258,0.23570226039551587,0.16666666666666666,8.69023444431199,5.12589765768623,4.425704141204151,2.0629488288431146,1.2819484108191759,0.7814744144215573,0.46717385556274205,0.23570226039551587,0.7900213131192718,0.512589765768623,0.4023367401094683,0.2578686036053893,0.18313548725988227,0.13024573573692622,0.09343477111254841,0.05892556509887897,8.391375953589305,4.703247926875856,3.977416405120125,1.6790779333695802,0.7401332600736642,0.4511844635310912,0.26972295126750445,0.13608276348795434,0.7628523594172095,0.47032479268758565,0.36158330955637497,0.20988474167119753,0.10573332286766632,0.0751974105885152,0.05394459025350089,0.034020690871988585,16.67490494606147,32.09686817188638,30.329411764705892,30.759999999999987,19.264338922155694,254.72263233532937,0.5053001498806506,0.9726323688450418,0.9190730837789665,0.9321212121212117,0.5837678461259301,7.7188676465251325,3.0952000000000015,49.72900000000003,38.329911565996284,61.11652749899689,76.65982313199257,6.969074830181142,38.329911565996284,7.216449660063518E-16,6.560408781875925E-17,-38.35149823205307,2000028.5639632791,181820.77854211628,15.959539222444262,126,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,4.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.455277777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0072222222222225,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.911927437641724,0.0,4.254924414210128,0.0,0.0,0.0,1.5445370370370366,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.455277777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.455277777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24000000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.227981859410431,0.0,0.9349074074074074,0.0,0.0,0.0,0.7722685185185183,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.455277777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.455277777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.227981859410431,0.0,1.1925547996976569,0.0,0.0,0.0,0.7722685185185183,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.455277777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.166666666666664,1.833333333333333,0.45,5.455277777777778,-0.007222222222222241,0.7722685185185183,6.5572544614512465,0.5650925925925926,1.9552777777777781,5.734410430839002,0.5650925925925926,1.9552777777777781,5.734410430839002,5.33333,0.48485,0.0,0.01515,0.45657,0.7697,0.42571,0.45657,0.7697,0.03085,0.0,-0.03085,0.0,0.62992,0.08437,0.0,0.375,0.1875,0.0,5.5,0.5,5.5,0.5,0.0,0.0,-5.5,-0.5,0.0,0.0,12.05725,1.09611,13.36873,1.31148,0.11923,4.61659,0.41969,5.12588,0.50929,0.0463,0.28812,0.02619,0.28812,0.02619,0.0,10.01,1,1,1,1,0,0,1.0,1.064794829694994,1.6471972826911645,2.771074422126518,2.7710744221265178,2.771074422126518,2.649862300914397,35.138229379934806,54.35751032880843,91.4454559301751,91.44545593017509,91.4454559301751,87.4454559301751,0.21108478134345593,0.3265401639356156,0.549337414277801,0.549337414277801,0.549337414277801,0.5253083399540968,3.9795992896634593,3.397196836667289,2.273319697231935,2.2733196972319356,2.273319697231935,2.3945318184440563,0.21295896593899882,0.3294394565382329,0.5542148844253036,0.5542148844253035,0.5542148844253036,0.5299724601828795,9.101528875984172,16.090358311938218,17.22302982595372,17.223029825953724,17.22302982595372,15.768484371408265,41.1198975147443,27.48288531382204,28.714233526901907,28.71423352690191,28.714233526901907,31.687897700514203,11.0,6.694214876033058,10.0,11,0,4,2.45,1.5763000000000003,1.1905507889761495,4.368193380334507,3.023715784073818,0.0,2.94168275343288,3.1810829150682025,0.0,0.16666666666666669,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.332,0.33,0.23400000000000004,0.02400000000000002,4.668,11.0,8.0,7.0,6.0,5.0,4.0,4.0,0.0,0.0,66.0,2.3978952727983707,2.4849066497880004,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.6094379124341003,0.0,0.0,4.204692619390966,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.6,10.0,1.0,0,4.0,8.0,1.0,2.5,0.666666666666667,0.375,0.2400000000000001,0.1666666666666667,0.08163265306122448,0.125,0.0,0.0,0.0,0.25,0.060606060606060635,0.046875,0.0342857142857143,0.027777777777777787,0.016326530612244896,0.03125,0.0,0.0,0.0,0.46712108328179763,38.329911565996284,61.11652749899689,76.65982313199257,6.969074830181142,38.329911565996284,7.216449660063518E-16,6.560408781875925E-17,-38.35149823205307,2000028.5639632791,181820.77854211628,15.959539222444262,9.23,190.30653166002787,4.459431618637298,3.7612001156935624,4.394449154672439,5.117993812416755,5.771441123130016,6.493753839851686,7.155396301896734,7.87587915949631,8.54110501146255,9.26036786557583,79.37158638419588,3.044522437723423,0.0,4.174387269895637,0.0,5.41610040220442,0.0,6.705639094860003,0.0,8.019941687677365,8.337109129562474,158.167065324,4.792941373454545,20.495584203809678,1.8632349276190616,2.9398264056274472,2.9398264056274472,0.0,204.0,8.0,3.7359999999999998,42.0,1.2335625,2.1175321598115207,2.882847238256276,3.5133397538119433,4.479123329516833,5.766309997781196,6.536054420060385,7.672488771385539,8.692920738029397,9.195700449380707,81.03112600587495,82.77892360364879,78.23807493860012,81.37789359086176,109.57457219298458,175.0997944135659,122.76449937802752,150.74749709532628,75.02742743868949,9.343420181399562,275.57575759946747,325.1579322704412,355.57712037207847,335.07210315148313,479.1657125765694,849.8770152675022,673.8907367156886,784.1308919620304,769.476263230369,285.8368026319406,9.196593588500003,15.575579228939938,20.887176778027253,25.160860240574685,33.54617901701685,41.0157646409116,45.53982199098815,53.33780792616002,60.78544038768747,61.78098242394813,2.031303529208124,2.585673065646296,3.0341594382899273,2.944254817157065,3.951587504551957,7.227528815724981,6.202750392021404,7.160054076140473,7.8573864467324706,4.0885270889204115,178.88111971169653,334.22996586486096,465.5868825206246,595.3719112511092,769.8147050168712,891.5570166964856,1083.3213396929054,1281.855654098057,1417.7108964544148,1700.4473358178118,2.717119791666666,3.989018875323654,5.152704648003198,5.9318603277246265,8.184268728277791,9.709661727612666,9.419280197631418,11.42973780101817,14.661248245203163,9.195700449380707,0.43987687500000006,0.5732419206172636,0.6794316839976642,0.6883783397138548,0.930425992348446,1.5303288625259204,1.3344078478471104,1.5396642524779167,1.7113969485613199,0.9416397260165849,482.87103753746675,374.3072401721285,13.53561368501955,132.36331610198928,-102.60409860743083,-10.871387308175178,350.5077214354775,476.91133877955934,24.40700099319473,0.7848570787392055,0.6083978210220079,0.02200074427728037,0.2151429212607945,-0.16677238193945135,-0.01767031903186945,297.07885067057686,230.28667296986808,8.327574536616378,81.43445922758238,-63.12556628750171,-6.688450943709341,0.07266252549054986,0.49099118803417097,0.49991505173419476,5.201628231608226,604.6402159881583,10.594137651297755,0.9827803216959075,0.01721967830409257,692.0123509718089,26.30612763163383,8.84513804454497,905.1271447711366,30.085331056365934,9.673193228780068,1196.789576979109,34.594646652034314,10.617100607214818,2.2245589279655853,2.2245589279655853,1752.5379518658158,1716.4403058311623,141.51174127054446,1.0210305280713936,12.384399599149056,12.129313726340513,5.4669273828084695,5.518795452725596,11.034207459442486,0.9993869230998526,6.135812367304946,8.353712918576502,6.853225764860169,29.25351020336386,7.208721052776275,7.726743467173057,13.036334631095997,12.983229318317537,9.488067995791871,5.697601511627151,7.613170868872015,5.24460957803648,10.79914420902564,4.763916432973626,6.320449709863192,4.000698250075845,5.087828559407745,5.570979813789767,2.9198530540415835,1.4457854640437293,2.271338052920336,7.556899427790891E-10,6.19075479325957E-41,9.781816959514496E-94,2.9810647008992923E-168,1.7522626865585162E-264,0.0,0.0,0.0,0.0,0.5149364532818399,8.607443329658597,0.5590173136799624,9.330658513488546,1.0478715982747275,1.1097942468994029,0.896408045051094,0.4244676670061097,2.3934049756574516,0.5020885703456849,3.7861000310717654,0.4484556595576082,0.37212012042192205,0.8835313459793186,0.17101152233846378,2.0850564676452787,0.2591596391456671,0.26171287963989065,0.020652672617709627,0.02718550001227069,0.015997219623321648,5.32238605619683E-12,4.360199219775853E-43,6.889413665891423E-96,2.0995882436039234E-170,1.2341329375689968E-266,0.0,0.0,0.0,0.0,1.6622769548169436,8.13499617079166,1.3305192520525888,11.878128740032125,1.478152339400052,1.780476670346482,2.3475805533365417,1.726315131080223,2.898271074843223,1.0302759628588303,4.536522152563348,1.0615681364802878,1.495108585939164,1.3662259697123367,0.7888632975973562,2.3292829709838623,0.9432839851315254,0.9401248483569375,0.21440144297362226,0.1497957357217395,0.166703362396172,5.546336628678998E-11,4.543663760133312E-42,7.17930021644453E-95,2.1879328289397562E-169,1.2860616730965304E-265,0.0,0.0,0.0,0.0,5.791706431048076,8.606781495981465,7.404671321269258,27.991247250011188,6.53889459420507,7.436526922492613,12.652988530277508,11.900268562091107,9.06189541772655,6.525617306816358,7.36799682879202,4.821554554059945,9.805135783869945,4.416915518134187,5.718501700440202,3.8314921790952643,4.6855566847338705,5.102560586529158,2.6015527754864354,1.2998761963878886,2.023721313020936,6.733061339201946E-10,5.515851065277477E-41,8.715422803570419E-94,2.656074978776342E-168,1.561234506787954E-264,0.0,0.0,0.0,0.0,2.4498902765055437,7.955483289396602,1.7289869265566133,13.995805719339739,2.019162981605792,2.357919062677996,3.475396428216228,2.96110234490025,3.4677658728427785,1.2125938586171257,5.060798067886604,1.591089398496534,2.564525900838563,1.789440448939311,1.4022503868655383,2.540523825009804,1.5024384393495922,1.5261820676830198,0.46559016677664145,0.28353658850105123,0.3621019791326266,1.204738429575049E-10,9.869444841475162E-42,1.5594399415794592E-94,4.7524824705426856E-169,2.793497806050036E-265,0.0,0.0,0.0,0.0,7.409882040374203,8.51419114607254,9.446356805891108,36.27598712848409,10.021087519673943,10.455084610890584,17.680277593106567,18.023203827814534,12.648112416622801,8.129925823256789,8.533297389266727,6.957958947465688,14.883350526767986,6.172972938130822,8.805212181248487,4.686156890220957,6.698369461889488,7.468133621514024,4.258258653780437,2.053084083372577,3.3125330862615834,1.102102760613879E-9,9.028634049096377E-41,1.426586072490854E-93,4.347602701112208E-168,2.555510447942236E-264,0.0,0.0,0.0,0.0,3.882296066172353,7.991391110911436,5.7378449337394954,20.064493902133513,3.347279321336236,4.700382924702446,7.663470829587393,5.67690700249918,6.043516376451872,5.660901635946063,5.305593616881979,2.6996614260701626,4.830951946104441,2.463379003121713,2.7775384827250025,2.813456792346885,2.6627482597020036,2.958686228504957,1.0512838364658317,0.6001000695277177,0.8176816990513213,2.7204837940047213E-10,2.228671725573446E-41,3.5214541054252196E-94,1.0731832923237455E-168,6.30814567161066E-265,0.0,0.0,0.0,0.0,12.444172502493434,1.062078149038319,0.8037796861576029,0.8696118882234877,0.07421914027960147,0.6356456713715759,0.45741213391594565,0.5169630844965842,14.310030337689355,24.072733607615884,49.00606581993651,0.8044178323352315,1.6100208897841057,10.519227940104196,0.5682513334315127,0.3331790206037474,0.9210701930817917,0.049756442999709785,0.45403936884080676,0.13094100212685017,0.08808817579546685,11.420658294139457,9.671680788955209,23.08393843655446,0.8816052896226877,0.6730685467631237,11.643214977295909,0.7718302585185297,0.5344959541544081,0.8991218149346586,0.059602903855498414,0.5563170077883076,0.24156740518965075,0.2277424612233941,12.949541189968848,15.622377075099896,33.375211923781464,0.8486827224019878,1.0256268742013523,12.275447145307782,1.0436901057196355,0.7842010259888934,0.8703930164755832,0.07400305411524438,0.6185186115825605,0.44171064540218363,0.49204039930766647,14.103338277016311,23.256643826384664,47.40697958008519,0.8055895247133747,1.5522696562924108,12.056822797940406,0.8642124271139835,0.6236811838752612,0.8901495191137174,0.06380439434997934,0.5965823258043085,0.302855696937329,0.3105381688509327,13.54471640892965,18.47826263954716,38.521522496438536,0.8352242786705761,1.2099761915925702,12.502689348665088,1.0964687197683955,0.8348597394852123,0.8661960595480175,0.0759642072193411,0.6416608964517113,0.4875141511188909,0.5578571023138806,14.434017807918696,25.062197346023368,50.94114684897214,0.7992940893220262,1.687032149884483,12.387050603471533,1.0507339472593173,0.7915979076620374,0.8705262255541739,0.0738425543295145,0.6298297841605632,0.44769295558672423,0.5014498946569091,14.229382458392887,23.652816709458346,48.185237440992985,0.805789338331261,1.5789726344041966 +UMLCN0117,L,2-ethylhexyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCC(CC)CCCC,Esters,Olefins,C26H50O2,NREL (2014),Other Ignition Delay Method,PubChem,,88,0,-2.994300000000001,8.965832490000006,100.4884,80.70364999999993,0,0,78,28,50,0,26,0,2,0,0,0.0,0.0,0.0,0.0,0.0,4313.606348000019,4644.185271000002,5445.14056800001,5523.425960000031,5419.41127900003,5335.677727000034,5070.261917000029,4494.254506000031,4189.644801000035,12998.408220957836,16809.424966737322,22649.652503839377,24518.281537346167,24036.287961888902,23264.21539172621,22357.30275973703,20844.616522647993,19262.083522000485,558.6800479999996,566.9556360000003,1072.0719600000007,1475.4958160000028,1467.0843880000027,1423.979428000003,1342.9112600000024,1318.014208000003,1197.9031320000029,96.02845324244971,126.62883549999984,185.33250920777243,210.41278043216596,205.17863581276998,197.82843854761884,189.8113037145817,179.84151404082678,166.94244586027958,12913.43843115745,11159.221917049992,23017.63792143971,33954.81538413486,33554.90416028993,32667.963978323867,30469.813432967352,30259.43139957058,27701.165688666453,178.55555555555554,162.08333333333331,279.4166666666667,343.80555555555554,359.41666666666663,351.5,355.58333333333326,336.91666666666663,293.3333333333333,55.30264548717974,60.31409442857146,36.79149032432439,26.683217198067783,26.565741563725638,26.94786730808098,27.259472672043167,24.558767792349897,24.938361910714494,166.64625924304917,218.30422034723796,153.0381925935093,118.44580452824235,117.82494098965148,117.49603733195056,120.20055247170447,113.90500832048083,114.6552590595267,7.162564717948713,7.363060207792211,7.243729459459464,7.127999111111125,7.191590137254916,7.191815292929308,7.219953010752701,7.202263431694005,7.130375785714302,1.2311340159288424,1.644530331168829,1.2522466838363002,1.0164868619911398,1.0057776265331861,0.999133528018277,1.0204908801859232,0.9827405138842994,0.9937050348826165,165.55690296355706,144.92495996168822,155.5245805502683,164.032924561038,164.4848243151467,164.98971706224177,163.81620125251266,165.35208415065892,164.88789100396698,2.289173789173789,2.1049783549783547,1.8879504504504505,1.6608964036500269,1.761846405228758,1.7752525252525253,1.9117383512544799,1.8410746812386154,1.7460317460317458,0.3615511389351679,-0.16516925627250875,-0.0011637320701487525,0.00956000753055955,-0.03360512875619858,0.005155008315873621,0.02565813097008268,-0.03285699949825378,0.007290104559726496,2316.4850677948675,-20.595304592368116,-656.4737458671873,158.70198403155968,-92.41928630966208,121.15903793096794,-273.41769492110143,-283.20108587770983,26.004957646943197,3882.0730072134693,-152.76042383872817,-1456.64838588387,61.28451279695197,-92.43099786177822,292.99548501154635,-407.6461675271461,-125.00953581649117,75.5457731426924,2.3908631794871757,0.06280522024980556,0.8111886337935285,0.112685049309666,-0.286228930966492,-0.23857073767260517,-0.34797168441817555,-0.5842130493096898,-0.11521125838264254,17.29945784087951,-1.0201876436098485,-6.637698507435184,-0.4540372515491269,-0.3365760447657937,1.3511595421707165,-1.6926032909495525,0.4157044445651544,0.3437091735321572,94.82169438049512,-6.107662989802283,-35.81909739465682,-3.718710355945269,-1.8235760140637307,7.284417157629214,-9.108095535895352,3.729141874188214,1.8187315168131848,45.170940170940014,0.39891518737672516,9.864398422090735,0.35190664036816677,-5.949211045364887,-2.9852071005917256,-4.384122287968457,-11.834812623274107,-0.6459566074950827,0.004635271011989332,-0.0021450552762663474,-7.863054528032111E-6,4.6183611258741785E-5,-1.6473102331469893E-4,2.6035395534715255E-5,1.3794694069936924E-4,-1.7954644534564908E-4,4.339347952218153E-5,29.69852651019061,-0.26747148821257294,-4.435633418021536,0.7666762513601917,-0.4530357172042259,0.6119143329846866,-1.4699876071026958,-1.5475469173645346,0.15479141456513806,49.770166759147045,-1.983901608295171,-9.842218823539662,0.296060448294454,-0.45309312677342267,1.4797751768259917,-2.1916460619739038,-0.6831122175764545,0.4496772210874547,0.030652092044707382,8.156522110364359E-4,0.0054810042823887056,5.443722188872754E-4,-0.0014030829949337842,-0.001204902715518208,-0.0018708155076245998,-0.003192421034479179,-6.857812998966818E-4,0.22178792103691677,-0.01324919017675128,-0.04484931423942692,-0.0021934166741503715,-0.0016498825723813418,0.006824038091771296,-0.009100017693277163,0.0022716089866948327,0.0020458879376914116,1.2156627484678861,-0.07932029856886082,-0.24202092834227582,-0.017964784328238014,-0.008939098108155543,0.03678998564459199,-0.04896825556932985,0.020377824449115924,0.010825782838173719,0.579114617576154,0.005180716719178248,0.06665134068980226,0.0017000320790732694,-0.02916279924198474,-0.015076803538342048,-0.023570549935314284,-0.06467110723100605,-0.003844979806518349,-0.4627680389599805,-0.001696352706819941,0.009963519099376464,-0.03553859588546493,0.005616801146550775,0.02976027514735674,-0.038734832306729056,0.00936158412527388,-0.00900622083458565,-0.14935533641709509,0.02581529595743136,-0.015254484664374625,0.020604198419565265,-0.049496987892590945,-0.052108542046135416,0.00521209072483861,-0.03986126102200689,-0.19775338248652347,0.005948552467729924,-0.009103709235415624,0.029732172367174764,-0.044035336923421306,-0.013725335116561734,0.009035075636044769,0.026610001361302593,0.17881338325600835,0.017759708475796214,-0.04577446109999043,-0.03930898790727908,-0.06103386042609867,-0.10415018426223231,-0.022373066702802556,-0.05973810528007042,-0.20221711818093877,-0.009889703027538978,-0.007439010044675596,0.030768303611247744,-0.04103026734157654,0.010242257450606255,0.009224523716739614,-0.06524860506651957,-0.19908558409583382,-0.01477776986329411,-0.007353271389965344,0.03026331578470989,-0.04028111878154127,0.016762728375775544,0.008905251766427471,0.008945926353684174,0.11509179472755678,0.002935571003523692,-0.050357560242640244,-0.02603423066999243,-0.04070101016266394,-0.11167237929804415,-0.006639410731180052,1.5786374410265915,1.0378668812223402,0.9862707762722749,1.281121766583158,1.371260877807131,1.3717000699502775,1.3294941543484255,1.045944554597242,1.316868596914321,1.279416446996891,0.9617160254110269,1.0378134399427972,0.9981268465291698,1.0949756433917777,1.0738908249057433,0.9764960512221091,1.4630993124728997,1.375816106778178,0.9881841817353004,0.990166636218711,0.941238748868058,1.0379747085018072,0.9748986318339238,0.9659381375396566,0.7652449607728846,0.7467774475851311,0.923568698987156,1.3766726548904,1.4048885616506894,1.5016861794318517,1.5650873309001987,1.0448312927728807,1.519743760934438,1.3965787813169337,1.00448988926112,0.9873207198255297,0.9380546620375511,1.034700132770326,0.9481065264157477,0.9646451547180391,1.5293050367048038,1.3955741800868695,1.0088884966301834,0.9910862051685739,0.9426447201579091,1.039262193493265,0.946726626018005,0.9651875814880104,0.6395458845789994,0.5573339896187598,0.8132018427872185,1.2115123035969395,1.2167770419426085,1.6859244819483075,1.7799316035175397,1.2383130321665134,467.9882088211677,234.24410441058373,370.7635408366302,468.4524945354532,16.73044623340904,234.24410441058373,0.4999999999997726,0.1997484912649612,0.007133874688034328,-4.50994949294643,272.9679382386518,9.748854937094707,15.70619216862866,468.0258989320032,234.26221504509996,370.7907127622421,468.48882072175735,16.73174359720562,234.26221504509996,0.49853115819669824,0.19960285467854197,0.007128673381376499,-4.511991716988961,272.98855864445426,9.74959138015908,15.706403676822458,501.45693236950893,250.32947170669624,395.48627484564975,500.71594262454363,17.882712236590848,250.32947170669624,-0.7979889561164555,0.07596234490589909,0.0027129408894963963,-7.217049065077682,361.8082939805815,12.921724785020768,16.495120591354492,468.0654553978712,234.2812224991545,370.8192318632579,468.52694574113485,16.733105205040534,234.2812224991545,0.49698960043781426,0.19945002033442408,0.007123215011943717,-4.514136476299064,273.0104374590959,9.750372766396282,15.706628075334054,537.0004637475186,267.41793760942005,422.95347142393666,534.9904886851741,19.106803167327655,267.41793760942005,-2.1645885286785074,0.04183426150885583,0.0014940807681734225,-8.887310941213201,330.5985270058654,11.807090250209479,16.24253324360618,471.9353333725653,236.14080087216078,373.6175252414726,472.25686828919606,16.866316724614144,236.14080087216078,0.34626837175622427,0.18456772248535233,0.006591704374476869,-4.731268705268625,276.37887234036,9.870674012155714,15.740963420731413,489.89859172316505,245.01274677682284,387.2025758214412,490.64721482625237,17.5231148152233,245.01274677682284,0.9527930402929599,0.2060737043786149,0.007359775156379104,-4.422659880625852,260.0766194591819,9.288450694970782,15.570733577925441,0,11.89,15.995927743602664,-0.31542704096278085,0.2615562006005223,4.459204536813125,9.017991838206175,27.0,77.0,75.0,75.0,25.0,2.0,2.0,0.0,0.0,2.0,57.53434999999998,3.618132983939873,3.5728394019749494,3.4955766210602435,3.435478497260529,3.312499669473075,3.1999507748659384,3.1390055515741686,2.9518847260631924,1.9472449603881485,1.9262748312160112,1.9027106821038506,1.8134150060861596,1.7264176980800074,1.7074045767559485,1.5758799444328457,1.4586442294464692,3.606024502335726,3.579214669377942,3.516327878525782,3.441096654861931,3.3003721912865736,3.232068058304915,3.14302305665117,2.947768645993291,1.896334837014408,1.8798687631587254,1.8435813418448417,1.7603071215325148,1.6704597066035436,1.6383839065474954,1.523888417515586,1.4026367314261474,3.727475315657891,3.701601575242683,3.6425417840640257,3.572294503827413,3.460300496398414,3.3896409373028975,3.306609610808712,3.1441266435117394,1.7331011108735779,1.7071918065252325,1.6639174263243872,1.5798741951081465,1.4552592980818932,1.4182901267245138,1.303476839096728,1.1358437541191064,3.6220701069386583,3.5906105023823223,3.5357506089209676,3.456122200122684,3.3117713403939675,3.2574345858848375,3.1566570799262563,2.9600084728783,1.8709024948430857,1.8493279897957506,1.8061032515900883,1.729615419354172,1.639458948372,1.5928311703674418,1.494519688453259,1.3664761248385362,3.7707342056277993,3.7510502021727015,3.7011408076162056,3.6234839528538565,3.5144892711124585,3.463690354575511,3.3649342978374657,3.2132994611024785,1.6853738372386893,1.6606969166105887,1.6085239388744808,1.5288105965991026,1.399478366004488,1.348628988156704,1.2465538523076634,1.0699466435611147,5.071101836248867,3.7043935438903093,3.620875544009887,3.533987884893255,3.464684236312005,3.3727539959591257,3.298320568436189,3.1827323499953133,1.814984428902349,1.8081017874176748,1.777172134215933,1.6354425166802387,1.5410662060119036,1.502690649248407,1.3467008844740778,1.2041477043763593,0,0,1,2,0,4,18,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.49279927982674443,0.0,0.0,0.0,0.2630497103308105,0.0,0.0,0.0,0.9010475702906076,0.9826588779526486,1.014934870976991,0.5151283791960047,0.5133070313273645,0.4560910920747877,20.7110497244833,13.739912065068586,9.8374468070492,6.911467148087919,4.574062385531748,3.2242619788767333,2.1529971623174515,1.2612602688509404,0.7396803473029749,0.5088856320395773,0.35133738596604286,0.2468381124317114,0.16940971798265736,0.1194171103287679,0.08611988649269806,0.057330012220497294,19.483576231041006,12.54637194486424,8.433803617242003,5.666001848508094,3.5211514528701686,2.304691984956615,1.40373114712275,0.7779781775907472,0.6958420082514645,0.46468044240237927,0.3012072720443572,0.20235720887528905,0.1304130167729692,0.08535896240580056,0.05614924588491,0.03536264443594305,40.97529330348061,75.85724690458864,71.83529411764692,72.80000000000004,46.92434131736534,598.7581137724545,0.5253242731215463,0.972528806469085,0.9209653092006016,0.9333333333333338,0.6015941194534018,7.676386074005827,8.709690000000004,123.4470000000001,247.50807105290096,391.71212105740574,495.01614210580203,17.67914793235007,247.50807105290096,0.18095307398288155,0.006462609785102913,-4.786649115060453,283.4285855695373,10.122449484626332,15.81148852830967,983,0.0,0.0,2.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,23.0,3.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,19.0,0.0,2.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.30293882286585,4.749080708443801,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4965517397039404,0.0,0.0,6.893845409155279,1.149423368788899,0.0,0.4965517397039404,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.6786421898427974,0.0,22.71562281888252,0.0,4.742065981591655,0.0,0.5537154599650387,0.0,0.0,0.0070147268521456585,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.83977662235731,5.463162200508542,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.463162200508542,0.0070147268521456585,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24724868624864588,0.0,0.0,0.21259071167196744,0.30796889348025713,0.0,0.24724868624864588,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1924621854766855,0.0,0.5995743022154395,0.0,2.3671623814261036,0.0,0.5537154599650387,0.0,0.0,0.0070147268521456585,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.83977662235731,5.463162200508542,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.83977662235731,2.3749036001655517,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2493030534552945,0.0,0.0,0.5597050045913683,0.5194926697530864,0.0,0.2493030534552945,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2723948640802925,0.0,1.4128507591786588,0.0,2.3749036001655517,0.0,0.5537154599650387,0.0,0.0,0.0070147268521456585,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.83977662235731,5.463162200508542,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,52.00000000000001,1.8571428571428574,0.5597050045913683,11.83977662235731,-0.1131164025869611,0.0070147268521456585,15.396222093558114,1.659651939814521,4.83977662235731,16.447293988600613,1.659651939814521,4.83977662235731,16.447293988600613,13.66666,0.4881,0.0,0.0119,0.46325,0.75476,0.43023,0.45917,0.75476,0.03302,0.00408,-0.02893,0.0,0.64669,0.0676,0.0,0.13415,0.07317,0.0,16.75,0.59821,14.25,0.50893,2.5,0.08929,-11.75,-0.41964,0.0,0.0,38.60511,1.37875,45.21758,6.61246,0.23616,12.14913,0.4339,13.7399,1.59077,0.05681,0.1741,0.00622,0.1741,0.00622,0.0,27.02,2,2,2,2,0,0,0.8846153846153846,1.0750914219339838,1.9239748602331428,3.2176468611331317,4.107804301613109,4.650992687383223,4.854840565971557,83.85713091085073,150.07003909818513,250.97645516838426,320.4087355258225,362.7774296158914,378.67756414578145,0.17104576358020113,0.30610210663358484,0.5119237797506575,0.6535467673470041,0.7399673919714754,0.7723993464415639,5.210310796928265,4.361427358629106,3.067755357729117,2.1775979172491393,1.634409531479026,1.4305616528906917,0.17054708354900724,0.3052096729077242,0.5104312776207509,0.6516413666197043,0.7378100338797752,0.770147433724667,8.92199643635707,17.503776188912596,22.48206279131988,25.814968923674112,27.3143424594441,27.977103971731967,105.14879290573604,73.00187473228603,55.9775056976062,40.97585766041044,33.637558695283204,31.42864344996319,28.0,23.28061224489796,21.556122448979593,28,3,18,4.1000000000000005,3.803399999999995,0.20426448516081097,6.847846234606047,0.8879293787665905,0.0,0.0,6.73437437577289,0.0,0.33333333333333337,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.464,0.45,0.6190000000000001,0.201,13.049999999999999,28.0,28.0,27.0,27.0,25.0,22.0,21.0,19.0,18.0,270.0,3.4011973816621555,3.4965075614664802,3.5263605246161616,3.5263605246161616,3.58351893845611,3.5553480614894135,3.4657359027997265,3.4657359027997265,3.4011973816621555,3.4339872044851463,5.846438775057725,1.2777777777777777,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,22.0,0.8148148148148148,25.0,0.9259259259259259,2,12.0,24.0,1.0,2.5,1.1111111111111116,0.5,0.4800000000000002,0.3333333333333334,0.163265306122449,0.125,0.07407407407407406,0.060000000000000026,0.049586776859504134,0.09259259259259259,0.0396825396825397,0.017857142857142856,0.017777777777777785,0.012345679012345682,0.006530612244897959,0.005681818181818182,0.003527336860670193,0.0031578947368421065,0.0027548209366391185,0.22345268932541892,247.50807105290096,391.71212105740574,495.01614210580203,17.67914793235007,247.50807105290096,0.18095307398288155,0.006462609785102913,-4.786649115060453,283.4285855695373,10.122449484626332,15.81148852830967,26.3,470.559594972859,5.807354922057604,4.709530201312334,5.407171771460119,6.124683390894205,6.838405200847344,7.562681246721884,8.28374674710613,9.01225522000275,9.738082108118487,10.469851945892822,123.14640783235608,4.007333185232471,0.0,5.117993812416755,0.0,6.368187186350492,0.0,7.684783943522785,0.0,9.041329829241901,9.345657668923812,394.3810808400014,5.056167703076941,54.48793876681988,1.94599781310071,5.506024971391987,5.506024971391987,0.0,3333.0,28.0,11.867000000000008,110.0,1.2359334208189914,2.1440044682737147,2.900245630571812,3.6688331605021047,4.887935069674467,5.900297860167523,7.071170346771729,8.115501249784726,9.434531066271385,10.54671846577227,86.76425115086688,88.57825675511866,91.94037816260835,120.58272368724134,153.19718239708018,185.46124126024193,197.79063643759065,232.17139265467554,259.27394607751967,279.9165315037878,297.39365628372127,353.14591983961543,379.0122438934711,501.14170084712555,632.4286256161901,780.2904962203279,871.1701096255505,1017.4484015281736,1172.2006292659328,1283.540147592356,9.149084275681352,15.603601145579487,20.751952120916417,26.57325714449459,35.26035099182584,42.79679871683609,51.05896094175101,58.132828165281886,67.670017003143,74.73285663343488,2.17889190291747,2.8308025050077448,3.147031715790718,4.122976406959366,5.236282045245811,6.461714749237129,7.347056655048064,8.604002204260201,9.970228008195088,11.069091880571227,176.83319760529503,329.66668580474146,471.4714357081417,589.9553126630824,796.5253825448234,953.1128427532858,1158.2259628417282,1321.5352878676488,1536.9794888917183,1717.7838910082576,2.686041300177514,4.18801185627529,4.955860027429691,6.740053203977825,8.901843767636562,11.530995345011364,13.157959022451465,14.627383642807823,17.03014429926792,17.0878428852224,0.46140748550609195,0.6127511254725324,0.6905061417062983,0.9107552942736814,1.161089488352096,1.4362645499352027,1.6313021391553257,1.8915451959901772,2.189658095074139,2.4058138811706207,912.2457263726675,1660.057573592229,26.95902368616108,132.59360138848217,-241.28697546224413,-16.891758024008812,779.6521249841853,1901.344549054473,43.85078171016989,0.8730966591077695,1.5888161265420113,0.025802075945904588,0.12690334089223054,-0.23093213382316555,-0.016166847452233603,953.1502114961996,1734.4934392369096,28.167848185345452,138.53900934017156,-252.10612123949218,-17.649173098509376,0.1436784532476393,0.17327928106212423,0.6235521165801384,0.9770898441576108,1001.6542424716645,43.18508528948523,0.9586682046300641,0.041331795369935906,1834.0901416611796,42.82627863428224,12.24071798135811,2333.7216622570527,48.30860857297644,13.264259786936062,3469.1081797923116,58.899135645545016,15.138143380458928,4.837163194716833,4.837163194716833,31433.35793331323,31224.505474095553,333.1173032579427,1.0066887355314864,94.36122838978869,93.73426468308517,10.47713287372056,15.837749686745273,31.59966084169259,0.995211533627064,19.963220685969077,22.549847748592104,11.161018866855143,99.10959836505901,53.43168551349493,7.879479742526648,30.11344619855716,20.359079882107306,77.3466325260763,5.112525298830136,6.786890268359097,68.98126881328504,11.206590245773327,85.23172999391821,5.527152399035904,7.38087122676547,44.880667291101766,1.7600523146604004,82.58501475533504,3.168487963450122,3.156506701727762,35.14822977836267,1.999792051833572,80.69198222994518,1.4286674345548873,6.2371631667231195,20.164714804098146,3.6006310867239275,60.7034018650646,2.4251012135733943,1.6824306611637514,22.809243991436425,0.8809834758064166,24.602642458602297,3.2549407449470498,0.7141350592423521,5.158267063089156,1.3655053515784803,22.015874170442025,0.36115059625161844,0.9651187439290486,8.358570193839908,0.33488045849930825,20.00705705269,0.7134002554002792,0.9286363926800704,3.985147539140881,0.08056156784676725,14.665578349332204,0.09852212974914866,1.1342292836151944,0.9164568663424176,0.11718759029982756,10.812354677676325,0.07787936661701379,2.2858215713719683,0.34550479924897587,0.1493517424584414,7.897932581604545,0.11469296908228332,5.410827818671772,22.287766185419542,2.709729868176023,28.844326077167604,6.277953618739073,2.0103043011617254,9.371716101420011,3.1699835815756656,27.878180116483126,1.0432218481974116,1.8092607413592126,17.510518093835067,1.4084725139878136,28.167308301133524,1.3209859395864718,1.5202750735556658,7.942468893643255,0.3036150961940495,23.871906042428336,0.40737478883665657,1.250986277463797,4.079598436455225,0.41156231616881317,20.521613134072332,0.27897426131148745,2.5544154581557805,1.9184279664677184,0.5813833642208224,15.153078220619097,0.4287662373290999,18.84583574797638,22.827593261360853,10.830557201643709,92.0320233157297,48.58180076813319,7.683492922527223,29.790229771917527,18.51392825531206,75.02092947160489,4.764089669110649,6.502296259399488,65.6250881598362,10.301933029606046,82.81976700353408,5.0997943006240485,6.9262229819341545,41.654046453851464,1.6163610299265545,78.0815643928757,2.8681222834665103,3.0774330085724824,31.80849059593682,1.8527383226047132,75.42977186974198,1.3195716243997888,5.994376743787693,18.162362273114883,3.2929763616639067,56.573745501596015,2.227930670826235,7.9713233798934215,22.090936301310645,3.9453626539329996,34.93731752023355,10.449101254214314,2.876712927567695,12.147265547916795,5.012393735197052,33.13157240777572,1.5856729399078484,2.450316891050848,24.620279173475556,2.4434704750957654,34.882818803075395,1.849420778205712,2.103311994525821,11.976494115763925,0.4919163515191485,31.4431839233642,0.7137517225913881,1.4050734205545465,7.359511451893844,0.6403358809564044,28.429720514163822,0.4391787191990799,2.902041341373971,3.7106775195099466,0.9588548090379088,21.122609076980932,0.6911416999993176,24.10848767336188,22.73736337492166,14.053703663199073,133.74991896049903,76.59951970863429,9.847407674424694,37.63608839050515,28.21839592950817,98.05163679119285,6.693450011403537,8.702293766053868,87.34950646030488,15.67427228705332,107.43346955383736,7.260098010072808,10.077201460054598,60.733396523366366,2.346105048846802,105.27291388935407,4.4082565381023615,4.037914039287862,49.47778873133072,2.5803879956965754,104.2350551187977,1.862577072555872,7.8392934981726095,28.910802524243092,4.849210071131227,78.63254718865744,3.2184110864627344,12.668906960238061,22.284675332122088,7.716778479315961,58.52886645460029,25.27492706538185,5.258609664679289,24.15514422382395,9.997500393237363,61.85161230465493,3.1303554542252825,4.999667413961302,47.69230950339317,6.253424332404508,69.16863965448228,3.1622037960496328,4.081484782060705,29.38845921150837,0.9174825573549316,54.69134826999485,1.528899214794332,2.384660584091771,16.21615446434053,1.144423157236063,47.08707255147299,0.9067111767815121,4.632698528426515,8.964014977221394,1.7415193189436813,35.2818044058943,1.2566047074767956,87.03447108829886,1.1813935930099104,0.5393874279235379,0.9806120654266671,0.013310689395101407,0.5750849730437457,0.3805750208724738,0.4090548595542168,88.75525210923232,150.40449486722457,294.62062302887324,0.9709180981400006,1.3647148534704363,79.17067419835291,0.6955314400976609,0.15749304700975864,0.9893403516568221,0.00869156826693932,0.47580499157198347,0.12853031556512462,0.03514265463358632,80.02369868546035,67.64406511779067,156.3402275856173,0.9840105274852333,0.6394779617706944,83.2985997496695,0.8602514804220889,0.30491856413941776,0.9862050906868108,0.01018485775046291,0.5267474638782818,0.19819198104342048,0.12902256191349926,84.46376979423101,97.31933982844265,203.63288595692464,0.9793076360302162,0.8539620068352015,86.43392415545551,1.1724185204935036,0.5263889725590459,0.9807244429932371,0.013302872821068977,0.5671650834097297,0.3749651856847631,0.39139144813066884,88.13273164850807,147.45174618963534,288.9270168565319,0.9710866644898558,1.3335217172251617,84.92785368714974,0.9449211248818806,0.37480538331956736,0.9846983937959504,0.01095591462092768,0.5475734338137067,0.24004240767845156,0.19409310713789937,86.24758019535119,112.4357013200037,228.76145964275406,0.9770475906939257,0.9817089486300576,87.38718358276995,1.2249418071753715,0.5691698572424952,0.9798824219871998,0.013735411711392451,0.5797566296409936,0.41014949811130347,0.45682319319815884,89.18129524718782,157.47956533999343,307.58720091936453,0.9698236329807998,1.446729320950456,86.56419306435299,1.1815260900440636,0.5286779066131102,0.980626273828014,0.013384697368450571,0.568876054724263,0.38102068009230255,0.39519658794781976,88.27439706101016,148.66707568595297,291.01351373610277,0.9709394107420212,1.3450933227643853 +UMLCN0118,L,cyclopentyl methyl ether,COC1CCCC1,Ethers,Cyclic,C6H12O,Marquardt (2015),IQT,PubChem,,47.3,0,-1.2542000000000006,1.5730176400000015,22.360100000000003,19.363515999999994,0,0,19,7,12,0,6,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1133.7454949999988,1250.9336389999994,1539.4607039999985,1019.9771479999998,493.41230600000017,133.26364800000002,12.192768000000001,0.0,0.0,3130.4971206315004,4099.882909344516,5757.46024283533,4802.09280119846,2913.0456338933914,1520.371096876349,373.00493317116315,0.0,0.0,139.21638,143.18193200000002,278.34216000000015,337.11680000000007,251.7928400000002,151.79788800000003,80.62156799999998,0.0,0.0,22.711958858187984,29.985711720000005,44.70723985794304,42.007333241584064,27.299960236130975,16.470797958188,5.335354858188001,0.0,0.0,3165.2292466334884,2778.129009834801,5858.819323156544,7628.390957866386,6038.986684554332,3750.2373014199884,2219.011824290988,0.0,0.0,39.02777777777778,41.75,71.25,78.83333333333334,56.0,29.0,12.0,0.0,0.0,59.67081552631572,65.83861257894733,41.60704605405401,22.173416260869562,14.097494457142862,6.057438545454546,1.016064,0.0,0.0,164.76300634902634,215.7833110181324,155.60703359014406,104.39332176518391,83.2298752540969,69.10777713074313,31.083744430930263,0.0,0.0,7.327177894736842,7.535891157894738,7.522761081081085,7.328626086956524,7.194081142857149,6.899904000000001,6.718463999999998,0.0,0.0,1.1953662556941045,1.5781953536842108,1.2083037799444063,0.9132028965561753,0.7799988638894564,0.748672634463091,0.4446129048490001,0.0,0.0,166.5910129807099,146.2173163070948,158.3464681934201,165.8345860405736,172.54247670155235,170.46533188272676,184.917652024249,0.0,0.0,2.054093567251462,2.1973684210526314,1.9256756756756757,1.7137681159420293,1.6,1.3181818181818181,1.0,0.0,0.0,0.1742577597684273,-0.03291239128544145,-0.06218993851811275,0.007823314632885246,-0.02300412679009358,0.006286655981732365,0.016867606094816457,0.0,0.0,605.7336044210525,26.87660126315839,-155.80972350415482,-288.81581828254866,-34.06132324930795,-69.19918932964026,218.14265089196635,0.0,0.0,916.6964703541342,-57.432717984395765,-159.1814099317317,-501.3254134562839,116.57844340545711,-183.83888695256812,326.8517497424564,0.0,0.0,1.062550736842105,0.04492210526315879,-0.3075025927977817,-0.23964662603878023,-0.2395532520775625,0.079395988919666,0.13110900831024794,0.0,0.0,4.063287563332419,-0.5896225322105231,-0.4694237985365546,-2.250984254813233,0.9605728305609589,-0.9412633394735409,1.2590773128066797,0.0,0.0,22.47243353456399,-3.77431920849998,-2.2556514252769873,-12.33449313071597,5.883815553486984,-5.279417207167995,6.523848650891982,0.0,0.0,6.570175438596496,0.5789473684210541,-1.9085872576177303,-1.1698984302862454,-1.8412588488765822,-0.07540781779008993,1.1311172668513378,0.0,0.0,0.009171461040443543,-0.001732231120286392,-0.0016808091491381824,1.7007205723663577E-4,-6.572607654312452E-4,2.8575709007874387E-4,0.0014056338412347048,0.0,0.0,31.88071602216066,1.4145579612188626,-4.2110736082204,-6.278604745272797,-0.9731806642659413,-3.14541769680183,18.178554240997197,0.0,0.0,48.24718265021759,-3.022774630757672,-4.302200268425182,-10.898378553397476,3.330812668727346,-8.35631304329855,27.237645811871364,0.0,0.0,0.05592372299168974,0.0023643213296399364,-0.008310880886426533,-0.005209709261712614,-0.0068443786307875,0.003608908587257545,0.010925750692520662,0.0,0.0,0.21385724017539046,-0.031032764853185426,-0.012687129690177152,-0.048934440322026804,0.027444938016027397,-0.04278469724879731,0.10492310940055664,0.0,0.0,1.1827596597138943,-0.19864837939473579,-0.06096355203451317,-0.26814115501556457,0.16810901581391383,-0.23997350941672704,0.5436540542409986,0.0,0.0,0.3457987072945524,0.0304709141274239,-0.051583439395073795,-0.025432574571440117,-0.052607395682188064,-0.003427628081367724,0.09425977223761149,0.0,0.0,-0.18887188340524413,-0.18326514627563598,0.018543616604450065,-0.07166369268025144,0.031157204813784426,0.153261714249917,0.0,0.0,0.04437033221699245,-0.13208842628544584,-0.19694051855386388,-0.03052568404014113,-0.0986620781859295,0.5702053312843122,0.0,0.0,-0.06265183715849654,-0.08916997909733448,-0.2258863202937369,0.0690364179992658,-0.1731979482383489,0.5645437581161752,0.0,0.0,0.04227760962894538,-0.1486110087424174,-0.09315741125616363,-0.12238775003954179,0.06453269550372798,0.1953688007170808,0.0,0.0,-0.14510972285873774,-0.05932522873563725,-0.22881825409275022,0.12833298509566016,-0.20006195354297265,0.4906221987831985,0.0,0.0,-0.16795329276176715,-0.05154348267953276,-0.22670806601607213,0.14213286227108798,-0.2028928763725133,0.4596487965885704,0.0,0.0,0.08811748998664902,-0.14917186879803707,-0.07354733848029273,-0.1521330027338041,-0.009912206173888497,0.27258566978193105,0.0,0.0,1.1378595973825905,1.5524431960485652,1.0997956296243194,1.0644869859147108,0.16698097688967312,0.03492036955230271,0.0,0.0,1.1609588132368025,1.2488431165171023,1.1609217051531366,0.8955480281584292,0.8176367188535804,0.0,0.0,0.0,1.4315613096597946,1.1821183760038037,1.1430317384937723,0.7251370024907845,1.0046681884741828,0.0,0.0,0.0,0.8619615637920749,1.5079655873261582,1.2303965705149853,1.1491706437611386,0.0913085809797119,0.0,0.0,0.0,1.583569343505821,1.1790511259080312,1.1422093598449077,0.6415375150358613,1.013265783439612,0.0,0.0,0.0,1.6171586177149644,1.185494994408474,1.143937063718214,0.6255740341272427,0.9952034247641247,0.0,0.0,0.0,0.8731642189586111,1.386280806841554,1.1547570673942067,1.2132748426473383,0.3424566088117487,0.0,0.0,0.0,22.600639025003893,11.425319512501952,17.124885409098525,22.77921045357533,3.254172921939333,11.425355751201533,0.2500000000000089,0.021614538183865648,0.0030877911691236637,-2.6840723886411393,30.653743200983918,4.3791061715691315,2.3959283475403224,22.60846340048807,11.428864489793376,17.13055115250423,22.786510242701418,3.255215748957345,11.428900590181213,0.24926557909868308,0.021942112293676458,0.003134587470525208,-2.6735432869947635,30.657124867758522,4.379589266822646,2.3960055660439643,29.681433121201877,14.641219321571924,22.6159138383498,29.396437065446143,4.199491009349449,14.641220557582459,-0.3989944780580288,0.24889299599577258,0.03555614228511037,-0.9735125468856862,43.615244064505376,6.230749152072197,2.6427847066278645,22.616675749487648,11.432585274853293,17.13649911641688,22.794172035358322,3.256310290765474,11.432621230649668,0.24849480021893733,0.022285760368076557,0.0031836800525823655,-2.6626651470942213,30.66073224724688,4.380104606749554,2.396087929184608,37.3438875551207,18.13079664539078,28.96918335839703,36.57082022344988,5.224402889064269,18.130796680646704,-1.08229426433914,0.37918399786787793,0.05416914255255399,-0.6788135964450507,26.43808895461846,3.77686985065978,2.29236401366113,23.4225690935636,11.797851639720948,17.726382868896792,23.546236369190954,3.3637480527415646,11.797875925321483,0.17313418587829688,0.05513907874069984,0.007877011248671406,-2.0285276068166302,31.31035602531393,4.472908003616276,2.410764234376004,22.063995244309616,11.122226461534293,16.784007309895973,22.262407942722316,3.180343991817473,11.122282153862733,0.46296296296295836,0.12350496521604061,0.017643566459434372,-1.4640317436806636,30.913201171972638,4.416171595996091,2.4018283205448934,0,11.900000000000004,15.994916136544777,-0.3806437462249943,0.06262033546367012,4.60599679121029,7.290257643129317,7.0,19.0,19.0,19.0,7.0,0.0,0.0,0.0,0.0,0.0,15.034483999999997,3.630153091823313,2.929105812863878,2.4598209946876795,2.3339285102789127,1.3398311257097377,1.1900601602723193,0.6098285732070702,0.0839230705186916,1.724171078503525,1.7059755352039758,1.3746600999187344,0.7578639354190903,0.6728301694417332,0.4216600538026966,0.0839230705186906,0.08392307051869081,3.6240333244013367,2.8390241257099373,2.5108976211203293,2.38897500778056,1.3158907789482397,1.3088559198117935,0.4674346209119831,0.2709139018929374,1.6927742001736088,1.6559760066687528,1.3035279817092054,0.6219497304774959,0.5537165024121377,0.28688446146849617,0.2709139018929366,0.27091390189293685,3.7531554326700096,3.1230558840678873,2.7348014887900653,2.626525991564484,1.7828119218779734,1.7784680891728575,1.1063251919998798,0.9439184268026223,1.478812281120983,1.4525836511201309,0.9629422849281706,0.17284907323754753,0.10571181320351386,0.26192844651161723,0.9439184268026211,0.9439184268026216,3.6347207992895445,2.833732511018175,2.5485718485520463,2.4291683199845906,1.3935289897419572,1.3613524629896663,0.43428194088553856,0.39927724550898214,1.685227808465481,1.6122857329828701,1.2558760353380054,0.5312606142931671,0.4778414918185792,0.196962195551437,0.39927724550898125,0.39927724550898147,3.7973592366833335,3.1841455671968935,2.8418617348799313,2.7371623596960353,1.9780391444545955,1.9383391578738376,1.208391017621809,1.2076448229620895,1.437822305811408,1.3884283102424035,0.8705569065131915,0.016182923167948168,0.033781625543752296,0.4491656127525,1.207644822962088,1.207644822962088,3.786852445365028,3.3283064088973457,2.6027721282304817,2.5230911631452417,1.8443172818326954,1.550284617119198,1.1557780945215397,0.6428571428571436,1.5611757487262345,1.5532636100610708,0.9323783676396858,0.3775952823377304,0.2952577596595947,0.03541148645564379,0.642857142857142,0.6428571428571426,0,0,0,0,0,0,5,0,0,0.0,0.0,0.14433756729740646,0.10206207261596577,0.10206207261596577,0.0,0.0,0.14433756729740646,0.05892556509887897,0.05892556509887897,0.20412414523193154,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.49279927982674443,0.5948613524427102,0.20412414523193154,0.2845177968644246,0.34344336196330355,0.11785113019775793,5.112884175122364,3.431851652578137,2.558730744624475,2.052095140581215,1.4186112615457085,0.49279927982674443,0.20412414523193154,0.0,0.7304120250174806,0.4902645217968767,0.3198413430780594,0.22801057117569057,0.15762347350507872,0.12319981995668611,0.10206207261596577,0.0,4.814025684399679,2.960447131787105,2.1421677786998354,1.6355321746565754,1.1240567635492147,0.2845177968644246,0.11785113019775793,0.0,0.6877179549142399,0.4229210188267293,0.26777097233747943,0.18172579718406393,0.12489519594991275,0.07112944921610614,0.05892556509887897,0.0,9.965765927132102,18.657683903860157,17.70196078431373,17.960000000000004,11.271566467065865,146.324051497006,0.5245139961648475,0.9819833633610608,0.9316821465428279,0.945263157894737,0.5932403403718877,7.701265868263474,1.5754,29.264999999999986,22.877269839590344,33.16178178825405,45.75453967918069,6.536362811311527,22.877269839804896,0.10650955175902366,0.015215650251289094,-1.5676644269833528,23.731915679320544,3.3902736684743635,2.216774556747001,44,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,4.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.597222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.801574074074074,0.0,5.3234259259259264,0.0,0.0,0.0,0.5972222222222221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.801574074074074,0.0,1.2881944444444444,0.0,0.0,0.0,0.5972222222222221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.801574074074074,0.0,1.3735185185185186,0.0,0.0,0.0,0.5972222222222221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.833333333333332,1.8333333333333333,0.45,5.111111111111111,0.15277777777777768,0.5972222222222221,3.597990740740741,0.7361111111111112,1.6111111111111112,3.222222222222222,0.7361111111111112,1.6111111111111112,3.222222222222222,3.33333,0.47619,0.0,0.02381,0.48772,0.80952,0.43333,0.48772,0.80952,0.05439,0.0,-0.05439,0.0,0.58823,0.12606,0.0,0.15,0.15,0.0,4.0,0.57143,4.0,0.57143,0.0,0.0,-4.0,-0.57143,0.0,0.0,5.4681,0.78116,6.53706,1.06895,0.15271,2.8928,0.41326,3.43185,0.53905,0.07701,-0.01785,-0.00255,0.06815,0.00974,0.2631578947368421,7.01,1,1,1,1,0,0,1.0,1.1674367232867007,1.562688039303908,2.5239860659612976,2.945038697540246,2.9450386975402454,2.9450386975402454,22.181297742447313,29.691072746774253,47.955735253264656,55.95573525326467,55.95573525326466,55.95573525326466,0.27482501045323093,0.36787069326357547,0.5941688171404852,0.6932883596106488,0.6932883596106488,0.6932883596106488,3.0804907901568845,2.685239474139677,1.7239414474822876,1.3028888159033394,1.3028888159033398,1.3028888159033398,0.27482501045323093,0.36787069326357547,0.5941688171404852,0.6932883596106488,0.6932883596106488,0.6932883596106488,10.299818506707174,15.042834298913661,18.325796611917497,18.750143993812234,18.750143993812237,18.750143993812234,25.718464457243332,20.85402912586767,18.365318126447306,17.947755998542316,17.947755998542316,17.947755998542313,5.142857142857143,2.34375,1.1851851851851851,2,0,0,2.0100000000000002,0.9041000000000008,0.0,1.1547005383792517,0.4999999999999999,0.0,4.242640687119286,2.8284271247461903,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.3,0.31,0.42300000000000004,0.247,3.256,8.0,9.0,9.0,4.0,2.0,0.0,0.0,0.0,0.0,46.0,2.0794415416798357,2.1972245773362196,2.302585092994046,2.302585092994046,1.6094379124341003,1.0986122886681098,0.0,0.0,0.0,0.0,3.8501476017100584,1.0,0.5,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.14285714285714285,2.0,0.2857142857142857,0,2.0,4.0,1.0,1.0,0.44444444444444464,0.2222222222222222,0.125,0.0,0.0,0.0,0.0,0.0,0.0,0.14285714285714285,0.05555555555555558,0.05555555555555555,0.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.31646825396825395,12.646764559569082,19.13821664851041,25.293529119138164,3.6133613027340235,12.646774418859136,0.12433423528055057,0.017762033611507223,-1.4593473256359066,35.743733281414855,5.106247611630693,2.503462472662814,9.23,108.7661344557612,3.807354922057604,3.4339872044851463,4.174387269895637,4.9344739331306915,5.6937321388027,6.459904454377535,7.223295679562314,7.990576881743923,8.755107121633896,9.522446728338489,72.18791141197033,2.70805020110221,0.0,3.8501476017100584,2.3978952727983707,5.176149732573829,4.442651256490317,6.577861357721047,6.259581464064923,8.017966703493599,8.436416881388949,100.088815004,5.267832368631579,13.585236367059636,1.9407480524370908,2.7403550716504106,2.7403550716504106,0.0,43.0,4.0,1.279,30.0,1.3546040845787233,2.407556418266985,3.26139921975779,4.003410323907222,4.8564230483025,5.913665130519772,0.0,0.0,0.0,0.0,109.59034109760125,111.80826882724409,82.16787688881837,66.81806206153405,32.7616460363524,6.008662247176442,0.0,0.0,0.0,0.0,338.8157586712458,406.0351345661669,358.42434947219465,362.64825950171144,360.83958782103866,183.81885556718044,0.0,0.0,0.0,0.0,10.285117203325953,18.140160182985188,23.995293442590143,29.073189508006358,33.62920981937664,39.7307462874524,0.0,0.0,0.0,0.0,2.3862439190794955,3.105310615659552,3.0646479796430746,3.282399053710171,3.8375670126109003,2.6292918319846366,0.0,0.0,0.0,0.0,194.1815550670827,375.0009635439802,538.0447986419591,686.923522761198,818.2649174065161,1093.5410707933902,0.0,0.0,0.0,0.0,3.0796120513290526,4.71107574406677,5.7382961627938425,6.728820366245434,6.618542697331676,5.913665130519772,0.0,0.0,0.0,0.0,0.5230890081018479,0.7022158264047977,0.7195515232450179,0.7575385111614221,0.8425340134378132,0.6055593093652247,0.0,0.0,0.0,0.0,290.72144609179605,155.6436714338908,10.566531383937955,59.72925216452639,-31.97727661258319,-8.68191765769645,230.99219392726965,187.62094804647398,19.248449041634405,0.8295644652394444,0.44412430110226736,0.03015126360572838,0.17043553476055548,-0.09124614894958706,-0.02477357785529771,101.88353378095775,54.54543333318466,3.7030483016484017,20.932158127386234,-11.20645891721535,-3.042584105343617,0.11196751093074148,0.7109635122332583,1.1864593763775695,12.593903723359775,332.73684444151814,17.713853814804313,0.9494540775551593,0.05054592244484061,411.5387910413686,20.286418881640213,7.438241234567931,527.7832240228204,22.973533120154165,8.081373773982367,642.4761531007232,25.347113309028373,8.628838437022141,1.4686236762293172,1.2486815112940006,428.31491882894477,372.2792947881024,102.68603333919208,1.1505203883894142,4.17111173643388,3.625413142198131,3.992862624018725,4.183011763278445,7.376069934049386,0.7633395150360212,3.346806832940828,2.3640601484286594,4.093808879200617,8.091676861388217,11.07240930660109,7.461263525396083,5.120840995254868,8.351496995417744,3.3708516060217772,2.943656567416194,0.6401043603989595,2.4450031157339858,0.24960157575939373,0.21601060299077524,1.2399534802753624E-17,1.3775420665339005E-55,2.9517546332872775E-115,1.2199205356794358E-196,9.724308662165141E-300,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2808745451350992,2.6153333150586544,0.9935391277986747,2.6794675542549333,1.826092601028106,1.254683875190329,0.28182835816860224,2.0322046113055374,0.20547215255869566,0.17691683857594417,0.030622454713160396,0.09070379761169357,0.001758394741633673,0.0015213803390325934,8.733093746729348E-20,9.70214140971823E-58,2.0789449233301776E-117,8.592000079940807E-199,6.848910101850038E-302,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9066965830939775,2.143049960170871,1.3245320111916807,3.416324426702366,2.4592588076769566,2.0199884275191913,0.8141534413446603,2.4521007070930154,0.6782387701846841,0.5145914288449203,0.11366880612780027,0.3682425663971955,0.01832044934493144,0.015853956123126615,9.100557009159055E-19,1.0110379387961006E-56,2.166420897606154E-116,8.953526529986508E-198,7.1370923798722045E-301,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1591127147067213,2.616858802544344,4.701702209054053,8.009603460753938,10.579812295984976,6.91699441652788,4.698640251281319,8.276654256933988,3.1994722103938655,2.890116648256038,0.5881598501160689,2.229051463071376,0.22239080666894256,0.19246155830871733,1.1047762273702136E-17,1.227365180644616E-55,2.629960236219083E-115,1.0869272343992117E-196,8.664183945985218E-300,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3363038290292455,1.963749816571115,1.4120502454724444,3.9710040103667232,3.2763978174825863,2.6919909839044522,1.3059625650540616,2.928852211295599,1.0330218743656805,0.7640809265450706,0.18295872569371152,0.6190462330920838,0.03979340487607958,0.034436911210123225,1.976762590063667E-18,2.196109504655355E-56,4.7057556811192627E-116,1.9448256052686798E-197,1.5502718354668638E-300,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.041753945588867,2.5256734551814444,5.5460239473611095,9.863045479231143,14.727400696563826,9.724630367829771,7.005822843445909,10.98685889979302,4.406598445801026,4.009940545801679,0.8490455920462561,3.3261246609160784,0.3640190363374353,0.31503116344582066,1.8083556182032576E-17,2.0090156404695904E-55,4.30485672210634E-115,1.7791394512377409E-196,1.4181990277944743E-299,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2283589656404446,3.238321482501906,4.8022627911987055,6.197409498207647,7.272168630376194,4.135774024139565,2.6012695853191907,7.004926969312567,2.093491152577897,2.0422753506899802,0.40313224782358,1.2282852933651696,0.10315398539995095,0.08926968797067754,5.1242975460359374E-18,5.692903438226834E-56,1.219857782123824E-115,5.0415083362262405E-197,4.01871939609886E-300,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.445839530414473,1.3613390323763914,0.6303838495225526,0.6906091538484682,0.21146809074386552,0.47438164953469253,0.3629651883402135,0.4343020531649818,6.437562412313417,9.713046461712098,19.965877821721396,0.5359137307727024,1.271648891039888,3.4993572625897498,0.8019445895153539,0.2468131152817466,0.7694082686305376,0.17632460816532888,0.2970254944458925,0.12403730754879652,0.05599612981945758,4.54811496738685,3.867908333400316,9.108652631962887,0.6541124029458063,0.4770589318141466,3.8747174100689787,1.0530846885946437,0.38707075236678123,0.7290329455986478,0.19813920635758583,0.360631587091884,0.2156821731711028,0.15667394609247937,5.314872851030404,5.9878136430190665,12.882092150768106,0.5935494183979717,0.7329877063554662,4.398462875961693,1.3263800475211502,0.6201031271865105,0.6932230535668119,0.20904512614117896,0.46437466572858405,0.3434560618597165,0.41433260407728656,6.344946050669353,9.38402639794136,19.346674803092714,0.5398345803502178,1.222163331665587,4.060942453523985,1.1662021872171286,0.454703526279156,0.7147220999489792,0.20525050176212642,0.3958340303142411,0.26591452097173196,0.22359835632850109,5.68184816702027,7.112681071978741,14.94795056205787,0.5720831499234688,0.8853469076144742,4.513201906135278,1.3947876517063422,0.6618802924184208,0.6869545377609941,0.21230065183880853,0.48885942318718795,0.3810674317969074,0.47918475051105275,6.569869850260042,10.205340144484202,20.941718827389185,0.5304318066414911,1.349111605495148,4.428870910668157,1.3390550441122822,0.62226538268593,0.6930732863507886,0.2095485054197455,0.47077996257181054,0.3505799314761033,0.4200248114357354,6.390191337466368,9.51968258420791,19.60021997631584,0.5396099295261828,1.2413847054836493 +UMLCN0119,L,2-ethylhexyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC,Esters,,C24H48O2,NREL (2014),Other Ignition Delay Method,PubChem,,98,0,-4.549299999999997,20.696130489999973,87.08940000000001,75.85006399999993,0,0,74,26,48,0,24,0,2,0,0,0.0,0.0,0.0,0.0,0.0,4023.045977999997,4331.442853000002,5108.183974000009,5185.453302000028,5082.454685000026,4998.721133000032,4733.305323000026,4157.29791200003,3852.6882070000024,12089.206928597314,15732.917930497624,21343.672234858645,23181.217523934505,22730.30769290816,21958.23512274546,21051.322490756284,19538.636253667257,17956.103253019788,530.1620879999995,537.6393400000004,1028.5204000000008,1425.225792000003,1423.532828000003,1380.4278680000032,1299.3597000000025,1274.4626480000031,1154.351572000003,89.56142743275173,118.82394687999985,175.30053196777237,199.9361902873169,195.1466585727699,187.79646130761884,179.7793264745817,169.80953680082666,156.9104686202794,12290.014414928952,10599.388109444193,22151.5590184081,32903.818829079006,32688.825257258322,31801.88507529226,29603.734529935744,29393.352496538988,26835.086785634867,168.55555555555554,150.33333333333331,262.9166666666667,325.30555555555554,341.91666666666663,334.0,338.08333333333326,319.41666666666663,275.5,54.36548618918915,59.33483360273976,35.973126577464846,25.92726651000014,25.668963055555686,26.03500590104183,26.296140683333476,23.487558824858926,23.782025969135816,163.367661197261,215.5194237054469,150.30755094970877,115.90608761967252,114.79953380256647,114.36580793096594,116.95179161531269,110.38777544444778,110.84014353715918,7.164352540540533,7.3649224657534305,7.24310140845071,7.126128960000014,7.189559737373753,7.189728479166683,7.218665000000014,7.200353943502843,7.125626987654339,1.2102895599020504,1.6277252997260254,1.2345107885054392,0.9996809514365844,0.985589184710959,0.9781065693105148,0.9987740359698983,0.9593759141289642,0.9685831396313543,166.08127587741828,145.19709738964647,155.9968944958317,164.51909414539503,165.09507705686022,165.63481810048052,164.46519183297636,166.06413839852536,165.64868386194362,2.2777777777777777,2.0593607305936072,1.8515258215962442,1.6265277777777778,1.7268518518518516,1.7395833333333333,1.8782407407407402,1.8046139359698679,1.7006172839506173,0.34241089193161617,-0.16528864332678317,0.008902181779723782,0.009856782370503097,-0.03414577778646562,0.004435048679161399,0.023310814805250893,-0.03466437118183982,0.02772345008112886,2186.561203459455,-21.378182872163492,-606.8563338816585,158.09100513659752,-73.79126209422901,137.52541475383623,-250.36771044192744,-267.7474457341136,37.80906688604871,3635.2872112813493,-155.8880432515856,-1370.6396219817966,47.8650524527461,-79.49808258132,300.668080413925,-386.59754182967873,-120.3776104722446,79.61319269653694,2.3671368648648548,0.06274120087652842,0.8230409349890215,0.11887960847334025,-0.27427247626006085,-0.2266028926223686,-0.3361503199415858,-0.572288338933544,-0.10285605551497395,16.180001320264235,-1.0397253621687226,-6.2727158701606935,-0.5508321571226164,-0.34582196742593596,1.3151751688937763,-1.6666390295561557,0.36170782532095264,0.3089148447937788,88.71285953784242,-6.22361093721398,-33.87010661926401,-4.306741961163053,-1.9887777950194812,6.968474001726987,-9.084426370614535,3.307577810990431,1.5406028230385025,44.01501501501519,0.326028731434135,10.656622839055256,1.1448543137732397,-4.853238373508676,-1.8948137326515888,-3.0883248112977992,-10.587716094472885,0.034696859021183385,0.00462717421529211,-0.0022642279907778514,6.26914209839703E-5,4.928391185251548E-5,-1.7245342316396777E-4,2.3099211870632285E-5,1.295045266958383E-4,-1.9584390498214588E-4,1.7113240790820285E-4,29.54812437107372,-0.2928518201666232,-4.273636154096187,0.7904550256829875,-0.37268314189004553,0.716278201842897,-1.3909317246773747,-1.5126974335260657,0.23338930176573278,49.12550285515337,-2.1354526472819946,-9.652391704097159,0.2393252622637305,-0.4015054675824243,1.5659795854891927,-2.147764121275993,-0.6800994941934723,0.4914394610897342,0.03198833601168723,8.594685051579235E-4,0.0057960629224578985,5.943980423667013E-4,-0.0013852145265659639,-0.0011802233990748365,-0.0018675017774532543,-0.0032332674516019435,-6.34913922931938E-4,0.21864866649005724,-0.01424281318039346,-0.044174055423666855,-0.002754160785613082,-0.0017465755930602827,0.006849870671321752,-0.009259105719756421,0.0020435470357115966,0.0019068817579862888,1.1988224261870597,-0.08525494434539699,-0.23852187760045077,-0.021533709805815263,-0.010044332298078188,0.03629413542566139,-0.05046903539230297,0.01868688028808153,0.009509893969373472,0.5947975002029079,0.0044661470059470555,0.07504663971165673,0.0057242715688661985,-0.024511304916710483,-0.009868821524227024,-0.01715736006276555,-0.05981760505351912,2.1417814210607027E-4,-0.48933277318474866,0.013548532660988783,0.010650973911818495,-0.03726970611870098,0.004992077409640832,0.02798782165319072,-0.04232473122254862,0.0369842154078911,-0.009911012167435979,-0.14463307722773375,0.026751445058110265,-0.012612751226094253,0.02424107171229119,-0.04707343543061008,-0.051194363964669386,0.007898616468333617,-0.0434693290281095,-0.1964843338613195,0.00487171119590127,-0.008173055627873446,0.03187712073108923,-0.04371994170947581,-0.013844122801119142,0.010003754313492612,0.026868184229523816,0.18119301111318373,0.018581711851142636,-0.043303738151927104,-0.036895429591699655,-0.05838071029299385,-0.10107645019173989,-0.019848294787824114,-0.06514017857520817,-0.20203212822098604,-0.012596284394619546,-0.007988045941911591,0.03132820694167481,-0.0423469571911497,0.009346258856806356,0.008721213756284225,-0.07111557348535465,-0.19896347648340765,-0.017962384866543384,-0.00837849883241249,0.030274821885921406,-0.042098841571410486,0.015587696626193828,0.007932696087126405,0.007508684895991466,0.1261717469997024,0.009623899843078414,-0.041209495514605815,-0.016591901480521348,-0.028845716494962616,-0.10056801690174064,3.600858141350729E-4,1.611294119157414,1.0169694030799425,0.9697701851769,1.2693624746317431,1.3620564455513469,1.3636758022677198,1.318376777592277,0.9908079191726772,1.339747740591576,1.2823950321796864,0.9593215097781264,1.0331234390503585,0.9917284368519765,1.0915260018239927,1.069491023525363,0.9672028339168027,1.500495178883472,1.388073928029547,0.9902571192240575,0.9871692764031008,0.9356084273691005,1.035655414605485,0.9693740894002295,0.9583344867392615,0.7628963186727692,0.7349936614875997,0.9080064325400607,1.350798057454288,1.379678114754801,1.477751458936138,1.5411941465557264,1.0285084620298426,1.5626895409896704,1.4114974153514823,1.008426213754992,0.985254288086469,0.9332698108804512,1.0333271919678961,0.9423139715515901,0.9579649275904345,1.5729893370983048,1.4105784702442934,1.013138435777637,0.989295766885902,0.9382053339208772,1.0382407793503647,0.9410403595462169,0.9587448620955902,0.6279422801391801,0.5272110763784433,0.7857261888517401,1.1809544496613766,1.1863060312478626,1.658141019080751,1.753007760507785,1.211900551878885,408.20543390771707,204.35271695385842,323.1301777345705,408.66697236925523,15.717960475740588,204.35271695385842,0.4999999999997442,0.24017424369334694,0.009237470911282575,-3.708615569549492,270.5819372084964,10.40699758494217,14.561494902802309,408.2414923006589,204.37001172942797,323.1564330143852,408.7016749082254,15.719295188777902,204.37001172942797,0.4985311581970677,0.24002629327963007,0.009231780510755003,-3.7102176964036624,270.4187876301193,10.400722601158435,14.559926738852933,440.21740116116894,219.70970610252624,347.0505142575337,439.4807959709076,16.9031075373426,219.70970610252624,-0.7979889561164839,0.11568447036662588,0.0044494027064086875,-5.607911080382528,294.21688534147603,11.316034051595231,14.779224721588685,408.27933622622675,204.38816291333208,323.1839901274864,408.7380958573997,15.720695994515374,204.38816291333208,0.4969896004374448,0.2398710341176838,0.0092258090045263,-3.7119000305701544,270.2486571119632,10.394179119690893,14.558290467366247,474.1983473877549,236.01687942953825,373.66155175957846,472.2002656689748,18.16154867957595,236.01687942953825,-2.1645885286783653,6.898010311062741E-6,2.653080888870285E-7,-30.899121626517434,271.71892602152633,10.450727923904859,14.57239724667025,411.98156358273593,206.16391597724618,325.88840239432744,412.30119592589574,15.857738304842144,206.16391597724618,0.3462683717563948,0.2247693711836345,0.008644975814755172,-3.8809690905140606,257.8894080054182,9.918823384823778,14.43658018889493,424.78719909934796,212.47935718796091,336.6911373235441,425.62224946564834,16.37008651790955,212.47935718796091,1.0855654761903963,0.29631550857962113,0.011396750329985429,-3.1624592609230096,307.2463148593869,11.817165956130266,14.8918893615074,0,11.89,15.995926730170755,-0.3154203617214556,0.26154882447894756,4.45851712083759,9.017817934201656,25.0,73.0,72.0,72.0,24.0,1.0,1.0,0.0,0.0,1.0,55.34793599999998,3.6167511259213647,3.542155303844741,3.484672655403169,3.3958521358865457,3.2572106676059516,3.1852464914270207,3.0483598271578676,2.8415711428672803,1.9525255659462601,1.9258209348960371,1.8902827264159934,1.7946523590479726,1.7222012166475271,1.6655358566306837,1.5202011904851422,1.4445884073796305,3.5901783552152513,3.566733546625991,3.5014478815035095,3.3910594061788344,3.258393955993306,3.2112397030777573,3.0439666194092903,2.8538569050428735,1.8984195152055217,1.8792484548979729,1.8314312729459035,1.739571965199905,1.656274830420997,1.6061288293240255,1.4693151461868534,1.3651875493688583,3.725347282952193,3.689507675689162,3.6303629913130817,3.538943197839754,3.4238638739916736,3.3706626460394293,3.2310669482577237,3.0655856996671687,1.7238722088715437,1.7046045219298431,1.6492363627749482,1.5411358278117675,1.4315951498234147,1.386120535175772,1.2209324772930417,1.0787992319842155,3.6026013482111887,3.5843288113278264,3.52008931564977,3.4051053313824706,3.2748975411699455,3.232401591315455,3.056028585573852,2.8747395131713724,1.871403642976536,1.8478894390865657,1.7945268068804823,1.7084071965898993,1.6173794337055296,1.5684558311115102,1.4391285752283691,1.3148350503057538,3.7677194102515688,3.7453862283986026,3.6882123656549237,3.5920931928360282,3.486926634927644,3.439043925705187,3.294262718198387,3.150386088399982,1.6740567710577097,1.6545886811083836,1.5939619090376613,1.48635257179146,1.3676627516881037,1.3227190846352026,1.1591420371730168,0.9967011452217698,5.151509466000156,3.643920132356355,3.604233606104412,3.529661028678973,3.41252399298912,3.388363872927692,3.2460188745465306,3.175485364227273,1.8191642635880358,1.7931145636351837,1.7419774568312971,1.6211231934540422,1.4874263854716698,1.4606286730682747,1.2802174752953603,1.1217955425101933,0,0,1,0,0,4,18,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.49279927982674443,0.0,0.0,0.0,0.2630497103308105,0.0,0.0,0.0,0.9010475702906076,0.9826588779526486,1.014934870976991,0.5151283791960047,0.5133070313273645,0.4560910920747877,19.296836162110203,12.739912065068586,9.130340025862653,6.411467148087919,4.220508994938474,2.9742619788767333,1.9762204670208148,1.1362602688509404,0.7421860062350079,0.5095964826027434,0.3511669240716405,0.2465948903110738,0.16882035979753898,0.11897047915506934,0.08592262900090498,0.05681301344254702,18.328875692661757,11.896542030603182,8.092155608447895,5.507753558044231,3.4681785786708716,2.308901173058017,1.436170275121981,0.8217494383081148,0.7049567574100676,0.4758616812241273,0.3112367541710729,0.2118366753093935,0.13872714314683487,0.09235604692232068,0.06244218587486874,0.04108747191540574,38.433465499694705,71.96941005098338,68.1098039215685,69.04000000000006,44.12578682634737,568.987164071856,0.5193711554012798,0.9725595952835593,0.9204027556968716,0.9329729729729739,0.5962944165722618,7.689015730700757,8.227300000000007,114.5770000000001,211.0954039802453,333.0129686622464,422.19080796049064,16.238107998480412,211.0954039802453,0.18525380894286958,0.007125146497802676,-4.383673980197733,247.63081891715825,9.524262266044548,14.331041409492292,833,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,19.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.27658938974896,0.016686546673937652,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.490302011750825,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.687811369579174,0.0,23.458223091016166,0.0,0.0,0.0,0.5606896029817681,0.0,0.0,0.016686546673937652,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.8163530258016,5.4602363639473595,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.4602363639473595,0.016686546673937652,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2087620296280277,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.195068583407759,0.0,0.6130675233056185,0.0,0.0,0.0,0.5606896029817681,0.0,0.0,0.016686546673937652,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.8163530258016,5.4602363639473595,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.8163530258016,0.016686546673937652,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.277087652219042,0.0,1.4320894897510064,0.0,0.0,0.0,0.5606896029817681,0.0,0.0,0.016686546673937652,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.8163530258016,5.4602363639473595,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,48.00000000000001,1.8461538461538465,0.5559027777777779,11.8163530258016,-0.11182601543386106,0.016686546673937652,14.431938319714218,1.649980119992729,4.8163530258016,14.928801518656263,1.649980119992729,4.8163530258016,14.928801518656263,12.66666,0.48718,0.0,0.01282,0.46126,0.75897,0.43,0.46126,0.75897,0.03126,0.0,-0.03126,0.0,0.64189,0.0724,0.0,0.14474,0.07895,0.0,14.75,0.56731,13.25,0.50962,1.5,0.05769,-11.75,-0.45192,0.0,0.0,36.5429,1.4055,41.25645,4.71355,0.18129,11.69202,0.44969,12.7399,1.04788,0.0403,0.1741,0.0067,0.1741,0.0067,0.0,25.02,2,2,2,2,0,0,0.9583333333333334,1.0727330946570142,1.5835080164663184,2.6910254540953016,3.3991825732840466,3.911288300721009,4.267000246621466,79.38224900461904,117.17959321850756,199.13588360305232,251.53951042301944,289.43533425335465,315.7580182499885,0.17275805638462313,0.2550156870863183,0.43337558004556004,0.5474205816730127,0.6298925316632662,0.687178080801846,5.136720270971937,4.625945349162633,3.5184279115336494,2.8102707923449044,2.298165064907942,1.9424531190074852,0.17275805638462313,0.2550156870863183,0.43337558004556004,0.5474205816730127,0.6298925316632662,0.687178080801846,8.982608296450126,15.219878023567182,19.214994435252535,21.955014636184753,23.892355892805156,25.445410162188697,97.5644579671489,75.89809680203034,65.30930709482381,54.48308277837563,44.9526643704429,38.143819006477905,26.0,21.301775147928993,19.597633136094675,26,3,16,3.8799999999999994,3.5645999999999947,0.21706340553581008,6.75538677308358,0.922707996704391,0.0,29.83338833466879,6.768219519136775,0.0,0.33333333333333337,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.442,0.426,0.519,0.065,12.111999999999998,26.0,26.0,25.0,25.0,23.0,20.0,19.0,17.0,16.0,248.0,3.295836866004329,3.367295829986474,3.367295829986474,3.332204510175204,3.367295829986474,3.295836866004329,3.1354942159291497,3.091042453358316,2.9444389791664403,2.8903717578961645,5.5909869805108565,1.0766129032258065,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.0,0.84,24.0,0.96,2,11.0,22.0,1.0,2.5,1.1111111111111116,0.5,0.4800000000000002,0.3333333333333334,0.163265306122449,0.125,0.07407407407407406,0.060000000000000026,0.049586776859504134,0.1,0.04273504273504276,0.019230769230769232,0.01920000000000001,0.013333333333333338,0.00709849157054126,0.00625,0.003898635477582845,0.0035294117647058838,0.0030991735537190084,0.23977301993453912,211.0954039802453,333.0129686622464,422.19080796049064,16.238107998480412,211.0954039802453,0.18525380894286958,0.007125146497802676,-4.383673980197733,247.63081891715825,9.524262266044548,14.331041409492292,26.3,438.60408442192545,5.700439718141093,4.634728988229636,5.332718793265369,6.052089168924417,6.767343125265392,7.493873886783559,8.216898580913613,8.947806093057054,9.675771061251782,10.40997377470302,118.53120347239384,3.9318256327243257,0.0,5.043425116919247,0.0,6.297109319933935,0.0,7.618251097876695,0.0,8.97979449089521,9.282381924841154,368.36543077600135,4.977911226702721,50.48793934490557,1.9418438209579065,5.506014181798768,5.506014181798768,0.0,2638.0,26.0,11.245000000000001,102.0,1.2447123287671227,2.1479607056848393,2.876783165672312,3.6105404230452836,4.759650507492647,5.738112891808228,6.894515788203149,8.000953183527965,9.433978387464757,10.560933637399526,85.44063614268495,85.6946290707692,87.23588591084746,114.18855892224201,144.78886882315177,176.22756487187195,187.5124728415327,220.3853853422502,245.07225683153865,265.60595919663956,294.6478512405817,344.80731150818025,364.6435818838488,476.49943612939177,599.9035183927265,742.1135673845329,831.2859059879511,977.1414402771479,1128.526718911979,1232.496878203454,9.211138464000008,15.621030233492279,20.565318993949486,26.121922482986548,34.38894951752856,41.635464224743345,49.851512996358224,57.29858281972649,67.59778437743091,75.09430658859115,2.166897867636166,2.7807170608689806,3.0522473320837564,3.9454481623234297,4.983867979572175,6.165831655063953,7.035287235588102,8.316982281824536,9.691844972145118,10.692003822465336,178.5262332022283,331.6875417958219,469.46328834055566,583.8555616550467,779.3184343665883,930.365015329538,1133.199921201043,1307.296988014064,1544.8483433493152,1733.662804853514,2.6333778538812775,4.099349634026933,4.784028616209588,6.454353072019825,8.529038300512136,11.052797539026413,12.689895678049243,14.057242644775386,16.31796632493548,17.04734721738773,0.45967191780821876,0.6033676068248409,0.6715478096679606,0.8755597794988119,1.111502761136509,1.3767103588125107,1.5694732167650864,1.8343704295616627,2.136280045732048,2.3449527795526754,892.8260368343493,1506.4731510873564,25.178418362852728,221.78419404082888,-374.21840299673823,-20.589918073906407,671.0418427935205,1880.6915540840946,45.768336436759135,0.8010208520455738,1.3515694629004902,0.02258943769346432,0.1989791479544258,-0.33573925003622695,-0.018472751732898997,995.1530350473048,1679.1303867407362,28.064122704491115,247.2029317243137,-417.107660561935,-22.949733338057833,0.1549560038093379,0.18688024772972017,0.7017346591685445,0.9579847106890066,1075.4798045103869,39.130426364791546,0.9648931749585082,0.035106825041491686,1703.4528352599646,41.272906794408904,11.94290665266938,2168.4305671857705,46.56641028880979,12.943403998582163,3269.2018985364734,57.17693502223142,14.841595154015618,5.008204777624126,5.008204777624126,24385.896359816536,24267.817794847695,309.9562216712293,1.0048656441204165,78.67529236332823,78.29433996839909,9.84522017067629,14.314947604404614,28.276773869530377,0.9753319852061354,13.400452776502647,21.888281217678845,10.16154859862403,95.23106615363372,36.87204133040343,10.15721344339829,22.864955269533937,21.85725425147204,68.69455298750385,6.286502665358235,10.479824824657745,58.96631631731718,11.01849703184656,61.718868817644335,5.05911003109563,18.14307035668332,30.713460253410602,9.520532972385528,51.14808621652225,5.284370978436602,32.23238830291704,20.771312450000163,9.494158945401708,37.636096782338086,6.105161694372665,36.37134379078056,13.899004316971322,11.215897526584707,21.77790015386687,6.369909704359777,1.14111465205839,21.520225388628155,0.8102584497304983,23.722709362996554,0.900823917602107,2.97351722347373,3.9317819105842493,1.9914211237625281,18.53664299784354,0.34502580789934145,5.099980990388804,5.358753326966258,0.7929369746073034,13.88881183793458,0.30466927097743035,8.020800844757746,1.4066546944513985,1.3301381582545073,8.831644333033248,0.13480936906293778,7.786860831309881,0.5669166160354829,1.751865692340907,5.767253829426403,0.25988958628293723,6.957056936725556,0.3275891379994936,2.48653009105479,3.079105132659015,0.3171510156603308,3.6362397696622604,21.27382979427169,2.397653654615889,28.841836563077564,3.3377775845973123,3.831276248991554,6.743803726628145,4.274850311633803,23.431691703258775,1.0921044126505524,5.244184945886092,13.109132937998364,1.8330402468266087,20.206739346447666,0.7753870776160032,9.486919682264475,4.716519086557122,2.1765236827357333,15.086747035565878,0.6385729803211876,11.303975482293627,2.3963996889245296,2.6686035796251,10.494207917655336,1.0053130019445655,11.163293491867837,1.572209837687039,3.575043951151341,5.771615618139951,1.167011097047004,12.654049398197616,21.981862775949434,10.034710063072206,89.27424912532032,33.20195445948115,9.698455236801541,22.56691271456972,20.467201691604927,67.38734729329963,6.055575030070156,10.190998781009618,55.297136417333554,10.159751333500068,59.21437135856917,5.257872038886704,17.77944660741325,28.58526914273511,9.05382241562296,48.062173290131405,4.775476532096729,30.86511997909106,19.17540790142954,8.787296003039268,35.22760264004336,5.588929381424155,34.787466542314014,12.61246483813793,10.439880245624927,20.32169036316525,5.8629385560398335,5.351566647972862,21.211997014681323,3.4410283489929636,34.84398886553782,6.405103688812295,4.596491245371102,8.748991715485884,6.25369985404509,27.776937916895367,1.6685874504265288,5.645335957533669,19.39838833666089,2.8231916626577713,25.37966524539959,1.0778937671229238,10.683553077828183,7.645751751644667,2.9200811299737284,20.050733701238382,1.1469168944677612,14.138978414474847,4.219318269667705,3.495021147271284,14.249245757666786,1.6499605115813074,14.523993937158695,2.858323869650953,4.528196853798992,7.944917209367994,1.8649170102414496,16.183010489378077,22.223355150998565,12.975040217630848,127.52089790045383,53.46127787231524,12.645677239970068,28.892988536382205,29.50823551120795,88.49214543283104,8.50282047767915,12.843680181223998,75.70430604602403,15.163227690203877,77.70950855293036,7.163786189990382,20.91776565457323,41.99222406084012,12.872474203951827,64.64827072378773,7.388443976801182,39.70518527007078,29.392383313818506,12.38263442808221,47.81632201551867,8.19637634015293,45.540867659209624,19.60771862350679,14.377127520540597,27.896372055465033,8.40189669798293,8.783318517103982,21.166274086476076,7.49708127858516,62.25809431103262,17.253569991539088,7.450404867920075,17.853145928257064,14.894666894115732,60.93005164191757,5.5034812888493105,8.059605965869249,38.85145793962145,5.713672547284223,48.87950424180976,4.276994931720613,14.820643274303691,19.48641078590894,7.284510095599816,33.09474167396485,2.424647572010234,22.32413882049305,12.49242599375692,5.431772998385875,23.828500300963604,3.0792248924936194,24.71124109832253,6.838243424560471,6.780554815395921,13.630347575222519,3.3365890357807486,72.60540772787508,1.0029405581431263,0.7014379690175168,0.9770638752571417,0.013496749333943354,0.5803561986829638,0.40928453166321177,0.36986750176610894,74.30978625503572,124.4505984752829,249.83833176969188,0.9655958128857125,1.3595082321122844,65.77948380315077,0.5888583907412049,0.26037486326620485,0.9872542457439352,0.008837906787790109,0.4763350971210833,0.14986088724988433,0.04929043218233801,66.62871705715818,56.01544900004983,132.72973456500645,0.9808813686159027,0.6754864165533057,69.61670006634841,0.7244533270350829,0.4333479907242593,0.9836409823436875,0.010236078147740328,0.5335389195963136,0.2139708976515811,0.14064610946351375,70.77450138410775,80.91624746851924,173.54624307566368,0.9754614735155311,0.8881559267114084,72.01972083392047,0.9964080238642179,0.6869525418163556,0.9771602416925586,0.01351921798848442,0.5710249430703764,0.4089916376903364,0.35307226553541066,73.70308139960105,121.91964302782509,244.91914481985992,0.9657403625388378,1.3330888462961235,71.07022771453583,0.7970383406992191,0.5133182077140552,0.9818962977191105,0.011011769921664132,0.5560622833473666,0.25457086810537416,0.19880407527405997,72.3805842629491,93.53647257549171,194.9943241741679,0.9728444465786656,1.0094372267268006,72.8496103610434,1.0405279489008596,0.7351633362448224,0.9762052380898301,0.013943366739529912,0.5842685652766529,0.44208687128249907,0.40589790603745796,74.62530164618909,130.1233762427333,260.47557001273606,0.9643078571347451,1.43225334259661,72.2025218672203,1.0048947856578831,0.6913633512985724,0.9770461956630327,0.013598259478723283,0.5739286366561398,0.41673415436809935,0.35746949819066537,73.89878000417676,123.16886265276374,247.23015892651773,0.9655692934945492,1.3481322892149046 +UMLCN0120,L,methyl octanoate,CCCCCCCC(=O)OC,Esters,,C9H18O2,NREL (2014),CFR,PubChem,,33.6,0,-1.3426999999999982,1.8028432899999953,36.9943,29.44627399999997,0,0,29,11,18,0,9,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1828.602242999998,1804.2683979999993,2037.6099459999978,1847.7866129999966,1531.4610469999973,1292.4197259999974,1095.6629969999979,898.9062680000002,702.149539,4803.941069429422,5938.065913142106,7503.40256041287,7568.6738200629725,6734.660097649466,5668.323327403523,4661.524982448398,3654.72663749328,2647.9282925381544,215.5004280000001,211.00264000000004,387.41423199999986,472.9679159999996,442.6978999999997,391.71027999999984,328.82538000000005,265.94048000000015,203.05558000000016,34.389540287281996,43.58411758000001,59.849539186188046,63.40257953007408,56.87310324867806,48.91494786037607,39.893419000980046,30.871890141583982,21.850361282187983,4840.569512851483,4103.796336707201,8288.57187789024,10750.578421735476,9980.07786379613,9055.075790814579,7576.120635775981,6097.165480737384,4618.210325698788,103.52777777777777,71.25,122.41666666666667,132.83333333333337,131.08333333333331,103.83333333333333,91.58333333333333,79.41666666666666,70.5,63.05524975862062,64.43815707142855,39.18480665384611,28.427486353846103,25.524350783333286,23.933698629629582,24.348066599999953,24.96961855555556,26.00553848148148,165.6531403251525,212.07378261221808,144.2962030848629,116.4411356932765,112.24433496082443,104.96895050747264,103.58944405440884,101.52018437481334,98.07141824215387,7.4310492413793146,7.535808571428573,7.4502736923076895,7.276429476923071,7.378298333333329,7.253894074074071,7.307230666666668,7.387235555555559,7.520577037037043,1.1858462168028274,1.5565756278571432,1.1509526766574625,0.9754243004626781,0.9478850541446344,0.905832367784742,0.8865204222440011,0.8575525039328884,0.8092726400810364,166.91619009832698,146.56415488240003,159.39561303635077,165.3935141805458,166.33463106326883,167.6865887187885,168.35823635057736,169.36570779826067,171.0448268777329,3.5699233716475094,2.544642857142857,2.354166666666667,2.0435897435897443,2.184722222222222,1.9228395061728394,2.035185185185185,2.206018518518518,2.611111111111111,0.2815545029069948,-0.15393680382772992,0.027775175191061676,0.014141434100699395,-0.0367271686818652,0.00441536316435864,-0.0010496860344947016,0.003473049269804028,0.030378898724851278,965.1465850344831,-16.821337964329253,-140.41654378596974,33.897877405470155,-239.70224227823954,14.24526497027415,8.756747015458188,3.2682290606423408,-2.220288894173507,1382.5799477402632,-151.471298038832,-362.0855470364145,-11.64748816205558,-213.5574148846572,14.427347762166022,13.695957713777005,12.964567665388046,12.233177616998972,2.0443009655172424,0.02884596432818175,0.6814573032104643,-0.07883457788347342,-0.5032259976218783,-0.11738634958383015,-0.1611106016646855,-0.20483485374554083,-0.24855910582639618,6.112430335451797,-1.0583106537872324,-1.4548187911243096,-0.36376095917291595,-0.4982019305750212,-0.06135448574375607,-0.06305298290140599,-0.06475148005905657,-0.06644997721670737,33.9901871135828,-6.409648323345033,-7.264447497774933,-2.571126525628693,-2.1193571324133416,-0.6155490880152834,-0.6428757772770888,-0.6702024665388968,-0.697529155800704,39.27394636015326,0.8111705641432159,10.385222618575773,0.7327255912273752,-11.351268331351548,-2.7744748315497363,-3.706698374950448,-4.555588585017828,-1.4102259215219966,0.009708775962310165,-0.005497742993847497,5.341379844434938E-4,2.1756052462614453E-4,-6.121194780310867E-4,8.176598452515999E-5,-2.332635632210448E-5,9.647359082788966E-5,0.001125144397216714,33.280916725327,-0.6007620701546161,-2.700318149730187,0.5215058062380024,-3.9950373713039924,0.263801203153225,0.19459437812129307,0.09078414057339836,-0.08223292200642618,47.675170611733215,-5.4096892156725715,-6.963183596854124,-0.17919212557008585,-3.55929024807762,0.2671731067067782,0.30435461586171125,0.3601268795941124,0.4530806524814434,0.07049313674197387,0.0010302130117207768,0.013104948138662774,-0.0012128396597457449,-0.008387099960364637,-0.0021738212885894473,-0.0035802355925485664,-0.005689857048487245,-0.009205892808385043,0.2107734598431654,-0.03779680906382973,-0.027977284444698262,-0.005596322448814092,-0.008303365509583686,-0.0011361941804399272,-0.0014011773978090218,-0.0017986522238626823,-0.002461110267285458,1.1720754177097517,-0.2289160115480369,-0.1397009134187487,-0.03955579270197989,-0.03532261887355569,-0.011399057185468211,-0.014286128383935306,-0.01861673518163602,-0.025834413177803852,1.354274012419078,0.028970377290829137,0.1997158195879956,0.01127270140349808,-0.18918780552252581,-0.05137916354721734,-0.08237107499889884,-0.12654412736160633,-0.05223058968599987,-0.5662653062744412,0.055015996508420595,0.022408646102322547,-0.06304805882918275,0.00842186335770633,-0.00240260527307029,0.009936740862329483,0.11588941814957592,-0.018051247659816777,-0.08113713248996013,0.015669814943562926,-0.12003988364490398,0.00792650050268809,0.005847025781390374,0.002727813699443892,-0.0024708731038002437,-0.11346974003992776,-0.14605471794872682,-0.003758604809816566,-0.07465710562557802,0.005604030426710731,0.006383922951013149,0.007553761737466808,0.009503493048222818,0.014614373247308698,0.18590388716324022,-0.01720507436326892,-0.1189775394881909,-0.030837346571004332,-0.05078842789551709,-0.08071504988228623,-0.13059275319356814,-0.17932432808169485,-0.13273627744933306,-0.026551362078405243,-0.039394739336547135,-0.005390594153957329,-0.006647788572866931,-0.008533580201231421,-0.011676566248505611,-0.1953082609610065,-0.11919106169100095,-0.03374850466471888,-0.030136814013706117,-0.009725532174151468,-0.01218874499718675,-0.015883564231739734,-0.02204159628932802,0.021391813639752764,0.1474707612761854,0.008323796587783714,-0.13969684405638727,-0.03793852874385523,-0.060823049282148704,-0.09344056387493276,-0.038567224363039165,1.5815583543613587,0.9837954843853921,0.8641991011049279,0.9607580664643143,0.7903541545931461,0.9311171320573706,1.1194631277463036,1.352701336784404,1.15365926198684,1.1087779845063215,0.913705540832465,1.0904568620828359,0.9004328464611059,0.9244188558516115,0.9603978699373701,1.020362893413635,1.502856841076084,1.2458246049381823,0.979954674709133,1.0220651306763922,0.9198220371490777,0.9011518270260426,0.8731465118414905,0.8264709865339036,0.709357391333565,0.7470965281571069,0.8008709073893746,1.1542843771389706,0.8414062961949893,0.9952507161709498,1.2260173461348907,1.610628396074792,1.6667600290757285,1.2656807797789023,1.0042737831624715,0.9844582904948546,0.9207660919911208,0.9000189612155926,0.8688982650522998,0.8170304381134782,1.6928618720900528,1.2572410954537057,1.0063787446923125,0.9770329266828371,0.9187884123239479,0.9023921768162014,0.8777978235545819,0.8368072347852162,0.5516804058338617,0.509189045187289,0.8404475579052428,1.4060777523047654,0.8427664775160018,1.003398208217485,1.2426954782693524,1.532602745665523,72.28450282263984,36.39225141131991,58.57662701070596,72.69359373173074,6.60850852106643,36.39225141131991,0.4999999999999858,0.16765118436299709,0.015241016760272463,-1.9644567157571462,54.019735723887784,4.910885065807981,4.388284401778582,72.2951857972455,36.396858477721445,58.582124933129016,72.70307492667973,6.609370447879977,36.396858477721445,0.4985311581973946,0.1674964791115695,0.01522695264650632,-1.965472242984118,54.0227165762887,4.911156052389882,4.388345098987355,81.98531988954066,40.59366546671228,63.73802978973056,81.33241983453658,7.393856348594235,40.59366546671228,-0.7979889561161002,0.027964301006814907,0.0025422091824377187,-3.934509200938147,64.1333349059999,5.830303173272719,4.577060701493857,72.30639846780933,36.401694034123594,58.58789588960542,72.71302632271303,6.610275120246639,36.401694034123594,0.4969896004378569,0.16733410795186265,0.015212191631987514,-1.9665391006523176,54.025857067248346,4.911441551568031,4.3884090431920795,92.62569141741423,45.23055144436799,69.81718108545404,90.85466443940476,8.259514949036797,45.23055144436799,-2.1645885286782587,0.12481882726242394,0.011347166114765812,-2.2889811724454456,76.45599511373004,6.950545010339095,4.770386882859739,73.40670813480821,36.87648825328241,59.15634959479466,73.69001862079088,6.699092601890081,36.87648825328241,0.34626837175661507,0.15142256410651678,0.01376568764604698,-2.0764490039842483,54.394828423393044,4.94498440212664,4.395895991956053,77.11044183963807,38.683877073181115,63.851308439042924,77.64483337402962,7.058621215820874,38.683877073181115,1.175661375661356,0.24794174953372433,0.022540159048520393,-1.5340175854502385,53.15631843109963,4.8323925846454205,4.37056067464814,0,11.996268791219165,15.99826011576409,-0.34959218768297295,0.261222493833592,4.02629446143458,7.348132895368875,10.0,28.0,27.0,27.0,9.0,1.0,1.0,0.0,0.0,1.0,22.55172599999999,3.5598840222303667,3.3784782402393962,3.0515647004868565,2.7069193271240497,2.4676707586426527,2.0448529486263953,1.618677336170148,1.2999696322183796,1.907138474566928,1.722609967354588,1.487104743797066,1.370797379503018,1.1050345647679682,0.8343079806894672,0.6393828809351046,0.5268780179527384,3.532785538682655,3.3296609817313567,3.0153145453373034,2.7062591669749607,2.443357463425213,2.050212273164595,1.6714683103017134,1.3940976657892619,1.8550895962481802,1.6881166734191315,1.473712639474137,1.2898089876329863,1.0335032613055317,0.7606109534417477,0.5495549560801941,0.41673661170252974,3.673352438301448,3.5086273361751585,3.2362963114411896,2.9608617176446854,2.7136234867431654,2.3760970997646655,2.064721466145297,1.846523953152571,1.6719000544249878,1.468102946788379,1.1867740823478314,0.9694492746948845,0.6990300599252274,0.3614124970390856,0.0843006503523617,0.0976770033407206,3.5458070764109832,3.3299396377278576,3.0127406012674447,2.728865667850785,2.4622559838756,2.0742615717018236,1.7188198060769417,1.4652028153340078,1.8273580040391402,1.6765811289701684,1.4557902757052565,1.2372501246037324,0.99279018947658,0.7161289884936819,0.4856307832508491,0.33157339372133715,3.7190825234099902,3.5464069460213383,3.2936395478632607,3.0546580771956053,2.7984582011513672,2.485058776135768,2.2146606921000593,2.0304124921000533,1.6209298385504216,1.4218976879809422,1.1336156251054865,0.8764428165924332,0.6104601237359141,0.25696777502022705,0.05535235761693959,0.2720764870412311,4.995541278585191,3.5111009116024854,3.3650978867991186,3.2314398307768415,2.829999566616741,2.373034402038748,2.0146397941568788,1.8394841883834239,1.7890306925252901,1.5361147706974216,1.1913590274873906,0.9991774520448494,0.7873760616220244,0.46758583564798184,0.23342571310285587,0.10021740876668273,0,0,1,0,0,1,6,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.49279927982674443,0.348461712529338,0.24639963991337221,0.10059223176554563,0.07112944921610614,0.050296115882772816,8.52709773749546,5.3080604124904465,3.7163087029543105,2.497400240710626,1.3004768156519497,0.7945759751233813,0.473461712529338,0.2675373872540926,0.7751907034086781,0.5308060412490446,0.37163087029543107,0.277488915634514,0.18578240223599282,0.13242932918723022,0.0946923425058676,0.06688434681352315,7.559137268047012,4.377156752707547,2.740346175533173,1.7121251317525819,0.974953030506646,0.5643958992096243,0.3106998199566861,0.1496154281323345,0.6871942970951829,0.4377156752707547,0.2740346175533173,0.19023612575028687,0.1392790043580923,0.09406598320160404,0.06213996399133722,0.037403857033083625,15.30604844290658,28.651857246904584,27.227450980392167,27.63999999999999,17.14746946107784,223.56333772455093,0.5277947738933303,0.9879950774794684,0.938877620013523,0.9531034482758617,0.5912920503819945,7.709080611191411,2.5199000000000016,45.39200000000002,38.903788176924934,61.48046949915748,77.80757635384988,7.073416032168171,38.903788176924934,0.08803451831739562,0.008003138028854146,-2.673028916589346,56.713819634786226,5.155801784980566,4.441819704928837,137,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.140078971403376,-0.08194586167800422,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1838329081632653,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.6197252928949357,0.0,6.488808264046358,0.0,0.0,0.0,0.0,0.0,0.0,-0.08194586167800422,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.622271904132024,4.517807067271353,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.517807067271353,-0.08194586167800422,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2316840277777778,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4388653470647519,0.0,0.5835459183673469,0.0,0.0,0.0,0.0,0.0,0.0,-0.08194586167800422,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.622271904132024,4.517807067271353,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.622271904132024,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5125,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.180859945830184,0.0,1.278941090325019,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.622271904132024,4.517807067271353,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,25.166666666666664,2.2878787878787876,0.5559027777777779,10.622271904132024,0.2316840277777778,-0.08194586167800422,4.702881276297555,1.748612528344671,3.6222719041320235,9.64187783446712,1.748612528344671,3.6222719041320235,9.64187783446712,5.16666,0.4697,0.0,0.0303,0.5046,0.83939,0.42571,0.5046,0.83939,0.07888,0.0,-0.07888,0.0,0.55957,0.15472,0.0,0.25806,0.09677,0.0,7.25,0.65909,5.75,0.52273,1.5,0.13636,-4.25,-0.38636,0.0,0.0,9.71491,0.88317,12.94176,3.22685,0.29335,4.18293,0.38027,5.30805,1.12513,0.10228,0.10595,0.00963,0.10595,0.00963,0.0,10.02,2,2,2,2,0,0,0.8888888888888888,1.2170163386123158,1.869419253734523,3.151638117356399,3.7193758224153695,3.6729972717965285,3.4646578242114794,35.29347381975716,54.213158358301165,91.39750540333557,107.86189885004572,106.51692088209933,100.4750769021329,0.25051895835594074,0.3848140319218007,0.6487547235193817,0.7656217317741271,0.7560748540351327,0.7131888386731937,3.6409646565152567,2.98856174139305,1.7063428777711738,1.1386051727122033,1.1849837233310443,1.3933231709160934,0.25051895835594074,0.3848140319218007,0.6487547235193817,0.7656217317741271,0.7560748540351327,0.7131888386731937,10.972693845954133,19.077040180524065,22.967521552393293,24.58391580388393,22.262931242794803,22.052961532365533,40.233818852729065,27.50542471707443,22.66584680511817,19.358386628963387,23.029358971252744,23.77582211242216,11.0,8.1,7.901234567901234,11,3,8,2.23,1.451100000000001,0.1111111111111111,3.036425714706123,0.5345224838248487,0.0,7.473424936522629,2.0041451295984074,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,4.855,10.0,9.0,7.0,6.0,5.0,4.0,3.0,1.0,0.0,66.0,2.4849066497880004,2.5649493574615367,2.4849066497880004,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,0.6931471805599453,0.0,4.343805421853684,1.1515151515151516,0.4444444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.7,9.0,0.9,0,5.0,9.0,0.8,1.5,0.666666666666667,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.02469135802469135,0.0,0.0,0.15,0.0666666666666667,0.027777777777777776,0.02285714285714286,0.01851851851851852,0.016326530612244896,0.015625,0.008230452674897117,0.0,0.0,0.32600208910724787,38.903788176924934,61.48046949915748,77.80757635384988,7.073416032168171,38.903788176924934,0.08803451831739562,0.008003138028854146,-2.673028916589346,56.713819634786226,5.155801784980566,4.441819704928837,26.3,179.16431503392232,4.459431618637298,3.713572066704308,4.3694478524670215,5.056245805348308,5.733341276897746,6.428105272684596,7.112327444710911,7.810758116529357,8.498010371999463,9.198369000194964,78.92017720753668,3.044522437723423,0.0,4.110873864173311,0.0,5.332718793265369,0.0,6.618738983517219,0.0,7.937731775260109,8.254788926148725,158.130679816,5.45278206262069,20.655554383314055,1.8777776712103686,5.131831534603419,5.131831534603419,0.0,206.0,9.0,3.339,40.0,1.23675,2.1261104981644343,2.8668268376291812,3.620333974957807,4.89990466384081,5.917574287501847,7.217017757949484,8.306598725369984,9.572192063608465,10.676058589679009,90.61417592324996,92.12349058881003,93.94726922916419,114.56475434695449,136.26722962085984,167.46872248967838,200.31712849199988,238.42992635113353,175.96515912827383,73.50191023027683,285.82121069597946,328.02624429943353,364.23630440526847,469.87716957537583,564.394692962161,676.5511877390389,782.8729776864717,866.2358103552118,930.070922505348,804.4156758073549,9.374724548999998,15.921753984509204,20.92074980916708,26.812047637632745,35.704379113272154,43.457904679704725,53.513043259395445,62.71151578541236,74.76460037785563,73.98165696423293,2.0460671188049995,2.568970398499981,2.9672036908443418,3.8364500992107233,4.735246471392684,5.633862283327718,6.480916137298236,7.014336796991938,7.810848725725058,8.525576703095986,179.39414609831744,335.5044592400749,470.5863812705823,588.7219229039176,812.9006974868815,983.2763289980846,1212.8993644353586,1410.2242239581276,1648.1641103808715,1794.5778266044806,3.2349136904761897,5.2128107588971,5.950386684067842,7.977470939777779,9.67331823147691,12.356676490161053,16.23274574603544,22.141323447699317,26.731338096572003,16.325162895594605,0.45329062500000017,0.583579402524612,0.6751283946872763,0.8790882051452165,1.0867996097367172,1.313531633744662,1.5531197635218634,1.7589063982386643,1.9677926724644348,1.8705451520771164,493.0299337065483,448.388137497552,17.78515695542199,205.16928406246586,-186.59206442266648,-25.401619710504036,287.86064964408246,634.9802019202185,43.186776665926025,0.7061450674235182,0.6422065881573252,0.0254728972803087,0.29385493257648154,-0.26724759878547566,-0.036381621554476835,344.23311405062105,313.06424685769605,12.417582674174778,143.2490336426424,-130.27843342181126,-17.735391011939893,0.2871910904114559,0.3507063470620677,1.941831088486227,9.078836199481314,634.4230706678886,63.77614710112566,0.9086562323789013,0.0913437676210986,772.2292980677146,27.78901398156679,9.174493377595718,946.5959475398919,30.76679943607869,9.818720109572396,1300.2544264924834,36.05904084265808,10.914640782277749,3.426743766652381,3.426743766652381,2026.7604334346543,1965.9462230074976,87.53130593835999,1.0309338117774776,23.154692046545147,22.459921075459874,5.288933087847809,6.621754640726305,12.23589106088266,0.8478321418959386,5.033436019418496,7.1385803037811755,5.681289850768331,27.481315634187784,12.555910541156612,1.5518785378841262,5.394040703208324,8.60203659907209,16.724729317809,1.3733672516249342,3.6976432402643313,10.972741689025199,5.608264416473598,6.679960745723008,3.211205367714849,4.234334018010891,1.8071454979211243,3.6569950477445303,0.004071611817170846,2.141066014496903,0.7852430096123727,3.510074713724506,0.766491234141865,0.0018694711266356923,8.794376776957006E-26,7.980193781048715E-70,1.3966825637837047E-135,4.7147415451255536E-223,0.0,0.0,0.4389289265441016,7.289419119353989,0.5286858663895425,6.915210578844223,0.31598302902400943,1.0723980322921411,0.7754833312175039,0.34017021818620335,5.600633419176619,0.05200920327831805,1.9375128267018578,1.6038239934505414,0.20759679590193944,2.6957045828883355,0.07726645904021463,2.194634064283348,0.17346298057415993,0.33030306654603026,0.0028491481913426116,0.07134890821287339,0.7674818947318502,0.24810132749348762,0.005398461341678113,1.3166838002735055E-5,6.193951471483367E-28,5.620515730274669E-72,9.836949496876817E-138,3.320631020450643E-225,0.0,0.0,1.3694986432010452,7.008345289944278,1.183227750620239,8.049363312060626,1.398959520352987,0.9525333160185357,1.5967166096765923,1.2430386270283462,6.467291756485525,0.20956795357957306,1.7992882338734397,2.7124260179911315,0.7773099420677967,3.0394676255555315,0.3760898950363262,1.9876239948404333,0.379672805092558,0.6836010656396789,0.0019260993418419297,0.2254669865362126,0.7710206442820045,0.8315249783305599,0.056256122292572805,1.3720860367395974E-4,6.4545749894542995E-27,5.857010734986798E-71,1.0250859808538406E-136,3.4603535453069773E-224,0.0,0.0,4.756268111970794,7.28913029809329,6.349446094921436,26.1869986724186,11.554663500343487,1.7777584760845941,5.38679157200138,7.97345190162077,17.03025205595124,1.2527966622200661,3.736581143107445,10.480717641443569,5.090568629111925,6.997637331357201,2.8987557121971843,4.3572631965827675,1.7184817060398483,3.949408992064687,0.0046041541806449635,2.096431800533042,0.7841250249736789,3.281223463736784,0.6829298906876107,0.00166566511672959,7.835631378332952E-26,7.110208987156803E-70,1.2444190190974364E-135,4.200749834657258E-223,0.0,0.0,2.0108072810031437,6.901554588758934,1.4655443692410983,9.573840503695873,2.4995836266696223,0.8934950597591672,2.123470771679627,2.056409786072289,7.258019503928338,0.3510293056109225,1.8682740767538073,3.730016437886258,1.326358559813138,3.329386272325464,0.6824372357144826,2.0426273017641527,0.5532630513103539,0.8681421020990537,0.0016931977220344921,0.3660657982516965,0.7734756198132309,1.2564976430171357,0.12219581270286171,2.980354219028391E-4,1.402019938018373E-26,1.2722209968984164E-70,2.226623729197252E-136,7.516350295781616E-224,0.0,0.0,6.07862598043466,7.234110693664402,7.818250129771947,37.17135132447448,17.816931313514523,1.9001787607041467,6.691741458706938,11.855182654148162,21.24025604895062,1.864837259991097,4.5312470684379,14.001512571549833,7.743728968217733,8.068662339970542,4.504989149417277,5.216866709292155,2.366191572595446,5.124530850916912,0.005027938795582729,3.1150739298112256,0.7894172178182121,4.390511853084698,1.117855425984963,0.0027264479423612462,1.2825772019829907E-25,1.1638362638496223E-69,2.0369302568543927E-135,6.876007444739547E-223,0.0,0.0,3.2086755867560024,7.192205802447392,6.719046499589491,19.099293786702777,6.849839766310237,2.7662976269452346,4.128552305297146,4.776246123992267,18.038780499489704,0.6208205413510401,3.357218140979318,8.508834942374227,2.462188861661463,9.089153588296819,1.3430120582289196,4.147475009934793,1.3295978151123802,4.2473288007655645,0.006665270961828679,1.2949535962759504,1.1679312504157424,2.415805404401916,0.28862196192777706,7.0394858022594E-4,3.3115189413231704E-26,3.004938670653158E-70,5.259202422511987E-136,1.7753339805767193E-223,0.0,0.0,13.747790059656399,0.7633175459488548,0.45706304482758675,0.9184682871890459,0.05099604779871892,0.5245094687264918,0.5837724461105416,0.5517080751577177,14.96817065043284,17.126420396595673,36.89097835734093,0.877702430783569,1.6599899899947512,12.879885966031157,0.47257846541147835,0.0844336608489582,0.958546077938927,0.03517020536775408,0.46029743107161025,0.22460505189078486,0.01882731388307569,13.436898092291594,7.214154197804046,21.16497944473102,0.9378191169083905,0.7037297968454708,12.94035934279033,0.5338478154873769,0.23460772824994547,0.9439444218848908,0.0389419377171703,0.4646961449944686,0.2857045023053186,0.14535894159172225,13.708814886527653,10.069335698142973,25.39886360299648,0.9159166328273362,0.8957595888915094,13.787384620280854,0.7644775062595386,0.4366724491420729,0.9198620819576072,0.05100415270081399,0.5275036999818646,0.586326349341741,0.5035802714853492,14.988534575682465,16.894542686727586,36.485668373936,0.8797931229364108,1.617410320808955,13.055857764363562,0.5801563688860489,0.30863745495108424,0.9362627443062694,0.04160422117516007,0.4730781463871278,0.33663054003038523,0.25156741194305626,13.944651588200696,11.783023731029068,28.0654309051391,0.9043941164594043,1.0612760983605694,13.876793177086842,0.7968227899430089,0.48277662633782803,0.915573616320761,0.05257338017832109,0.5343903475251831,0.6363804153831105,0.615530524613635,15.156392593367679,18.141423867568008,38.63604420275903,0.8733604244811414,1.7863012875219284,13.7907238966791,0.7705744529185408,0.4397491934142111,0.9193173914779988,0.05136804284561502,0.5277252432255108,0.5965763807586271,0.5107016097949891,15.001047543011854,17.03009872633339,36.70426399275041,0.8789760872169984,1.635003233779127 +UMLCN0121,L,propyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCCC,Esters,Olefins,C21H40O2,NREL (2014),Blend,PubChem,,72,0,-2.419100000000002,5.8520448100000095,81.5119,65.23571999999994,0,0,63,23,40,0,21,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3582.125102999997,3801.793786000004,4355.531874000011,4187.08418900003,3973.6211599999992,3786.9867670000003,3442.471473,3203.4301519999995,3006.673423,10569.986267901877,13544.474294285483,17856.789532088485,18620.182167983035,17710.05677605269,16968.73313221194,16095.02712627125,15028.690356025305,14021.892011070178,453.7928279999996,458.0767360000004,858.400704000001,1158.489044000003,1080.814328000003,1011.6671560000027,989.3286600000027,938.3410400000025,875.4561400000025,77.63782419395984,101.5488923999999,145.88763419867814,160.1494828105815,150.84520907494036,144.89787199784615,139.07731136384598,131.11915597554375,122.09762711614766,10430.29013046496,8994.024659470999,18391.160013922043,26745.389166091372,24717.727060982106,23078.996510371075,22677.79800713643,21752.795934154885,20273.840779116308,156.02777777777777,134.5,233.33333333333331,278.41666666666663,272.25,258.33333333333326,246.58333333333331,219.33333333333331,207.41666666666669,56.859128619047574,61.319254612903286,36.91128706779671,25.84619869753105,26.490807733333327,26.858062177304966,24.94544545652174,24.26841024242424,24.444499373983742,167.7775598079663,218.45926281105616,151.32872484820751,114.93939609866071,118.0670451736846,120.3456250511485,116.63063134979167,113.85371481837352,113.99912204122096,7.203060761904755,7.388334451612909,7.274582237288144,7.151166938271624,7.205428853333353,7.174944368794345,7.169048260869585,7.108644242424262,7.117529593495956,1.2323464157771404,1.637885361290321,1.2363358830396454,0.9885770543863056,1.0056347271662691,1.027644482254228,1.0078066040858404,0.9933269392086648,0.9926636350906314,165.56016080103112,145.06491386243547,155.85728825357663,165.09499485241588,164.78484707321405,163.68082631468846,164.33186961693065,164.79390859208246,164.82797381395372,2.4766313932980597,2.1693548387096775,1.9774011299435026,1.7186213991769546,1.815,1.832151300236406,1.7868357487922704,1.6616161616161615,1.6863143631436317,0.3399607277484386,-0.16320249662596864,0.015272787573073699,1.9201898115248778E-4,-0.03323923760272654,0.02272620041742205,-0.013796516839617582,0.003871693005925751,-0.020349366820635147,1910.187747428574,-19.69635918366845,-570.7745828979539,136.6125813265298,-85.04586187755109,-128.6939742448984,-238.25492665306132,-2.4369043265321864,-4.475272408164784,3130.6294036841377,-151.34664109955753,-1300.2368855536988,170.95547826421205,77.59224830110882,-175.1226727280276,-224.34187917418473,3.908768093677061,3.151876845202203,2.298038857142848,0.057854331065747056,0.8128335056689235,-0.036202585034010595,-0.3886048979591882,-0.19335972789115685,-0.33683635374149623,-0.05440522448978838,-0.06463510204081037,13.944487014302824,-1.0183734511056417,-5.959130198841615,0.44030720983269667,0.8751951707522417,-0.6864930560794397,-0.4737960212383539,0.0075619502999179355,0.0073961368500389535,76.5986473917155,-6.108318519465683,-32.17720253868564,1.7858608485922827,5.509757594353088,-3.640297576388887,-1.7765166317780343,-0.002932812155148179,-0.002936299088926342,43.58289241622567,0.675918927241677,10.196593040508382,-0.23034769463341415,-6.439426387839095,-2.3521877886957316,-8.100886033425722,-1.9726211472243287,-1.8972873099857315,0.005396202027752994,-0.0026322983326769137,1.294304031616415E-4,1.1853023527931345E-6,-2.2159491735151027E-4,1.6117872636469538E-4,-9.997475970737378E-5,2.933100762064963E-5,-1.6544200667183045E-4,30.32044043537419,-0.3176832126398137,-4.837072736423338,0.8432875390526531,-0.5669724125170073,-0.9127232215950242,-1.7264849757468212,-0.018461396413122624,-0.03638432852166491,49.692530217208535,-2.441074856444476,-11.018956657234735,1.0552807300260003,0.5172816553407255,-1.2420047711207631,-1.6256657911172807,0.029611879497553492,0.025625015001643926,0.03647680725623568,9.331343720281783E-4,0.0068884195395671486,-2.234727471235222E-4,-0.0025906993197279213,-0.001371345587880545,-0.0024408431430543204,-4.121607915893059E-4,-5.254886344781331E-4,0.22134106371909246,-0.016425378243639384,-0.050501103380013686,0.0027179457397080043,0.005834634471681611,-0.004868745078577586,-0.003433304501727202,5.7287502272105576E-5,6.013119390275572E-5,1.2158515459002461,-0.09852126644299489,-0.27268815710750544,0.011023832398717794,0.036731717295687256,-0.025817713307722603,-0.012873308925927784,-2.221827390263772E-5,-2.3872350316474323E-5,0.6917919431146932,0.01090191818131737,0.08641180542803714,-0.0014218993495889762,-0.042929509252260634,-0.01668218289855129,-0.05870207270598349,-0.014944099600184307,-0.01542510008118481,-0.48780574173072916,0.023985462830333835,2.1965492520425528E-4,-0.04106497796261782,0.029868919943275556,-0.01852687486369071,0.005435491011974437,-0.03065897196230834,-0.010477526318159272,-0.1595317438324554,0.027812509546161077,-0.018699346196024678,-0.03010257135084918,-0.056941289471922354,-6.088762612954698E-4,-0.0011999934037638885,-0.049123577442613926,-0.22174271684436925,0.021236204423749714,0.010409646139563864,-0.024993792139218877,-0.032714490166055425,5.959020272889806E-4,5.156713672987812E-4,0.025581580248327785,0.18884381769431258,-0.006126433861212448,-0.07102319294364896,-0.03759500052313692,-0.06691493380734577,-0.011299256228595702,-0.014406102781605187,-0.07420845444424673,-0.22815966694777187,0.01227944645263562,0.026360379649600134,-0.021996573960431445,-0.015511376172315069,2.588200368676735E-4,2.7166759250361785E-4,-0.08103067087030542,-0.22427750988760758,0.009066758549503244,0.030210692596101606,-0.021234264491234858,-0.010587895347368311,-1.8273837770372507E-5,-1.963426406535401E-5,0.01575895511623489,0.12491010669910448,-0.0020553858190181865,-0.06205552070898185,-0.024114450977041124,-0.08485509738908767,-0.02160201452029155,-0.022297310968577528,1.575280381945329,1.014975045721468,1.017966914820741,1.2053077742740685,1.0029064747331558,0.9338995978933831,0.7964191082060639,0.8739281935868811,1.2800712386997615,1.2672091955824996,0.9419052265850668,1.0229870559567786,1.0246207923857873,1.042978369250512,0.9479600413456285,0.9534285787980604,1.4547302453839122,1.382896887455641,0.947238847944319,0.9629617409542035,1.0226566268974602,1.016096232071312,0.9759497159779826,0.9748647959037942,0.7445548601938373,0.7358359446205075,0.9684464208494008,1.2653995025489273,1.0247291004069217,1.072025225131025,0.7652783539639142,0.8108703237994421,1.5245180174197215,1.4084545889314526,0.954387930300665,0.9458061014292712,1.0211799770331553,0.9991109739284374,0.9758019914471914,0.9744417268969581,1.5362768843808217,1.4071982084065504,0.9569431309782774,0.9447533893881642,1.0207449564856481,0.9945684094627121,0.9727271585744001,0.9719511878666072,0.6061246787932755,0.5451870517980899,0.8400812037580359,1.2550286303947575,1.217009179549019,1.3023104011598212,0.7741546537957129,0.8211620638756632,333.366016317355,166.9330081586773,265.75146199227595,333.8225380564851,14.514023393760219,166.9330081586773,0.4999999999996021,0.09681353972464762,0.004209284335854244,-5.370427368972612,239.30057542957053,10.404372844763936,12.598756918960795,333.3881945836797,166.94336287093847,265.7643435193351,333.84337520638155,14.514929356799197,166.94336287093847,0.4985311581972667,0.09669238370440969,0.004204016682800421,-5.373307475979384,239.40449289301517,10.408890995348486,12.599755488583275,353.25131921710556,176.22666513049464,277.52642648556343,352.52272060499934,15.327074808913018,176.22666513049464,-0.7979889561162565,0.01192706801917326,5.185681747466635E-4,-10.186573128422209,257.660909731714,11.202648249204957,12.768782159334556,333.41147165316,166.9542306267987,265.7778638377608,333.86524476660287,14.515880207243603,166.9542306267987,0.49698960043738794,0.09656522503801701,0.004198488045131174,-5.376334161208618,239.51391473418713,10.413648466703789,12.600806482803026,374.7202953017916,186.2778533865564,290.7729317859174,372.74393186256316,16.20625790706796,186.2778533865564,-2.1645885286788484,0.12950030609412394,0.005630448091048867,-4.701365678623544,216.15808772169316,9.398177727030138,12.364823063446595,335.691500897488,168.01888463462217,267.10512611234753,336.0076589760481,14.609028651132524,168.01888463462217,0.34626837175630953,0.08410924080494891,0.0036569235132586485,-5.693969330309051,252.35690410389213,10.972039308864876,12.720942054796701,347.0014681597495,173.61915551080773,277.72823575884456,347.77322536504704,15.120575015871609,173.61915551080773,1.0441421012848195,0.13236815315684736,0.005755137093775972,-4.650986858807582,795.1613965343937,34.57223463193016,15.3606537496842,0,11.889999999999993,15.995925211933638,-0.31570596550700336,0.2615284384692058,4.272546432068218,7.803600674915123,22.0,62.0,60.0,60.0,20.0,2.0,2.0,0.0,0.0,2.0,46.602279999999986,3.5928546539555644,3.5520094950040617,3.4551943868889223,3.3450790693707404,3.2171423282868257,3.1177862786379773,2.9303582900526135,2.7331447402622495,1.9467964647138265,1.9050645099564767,1.8169854973825468,1.7611351957917873,1.705268908283891,1.572523169246034,1.4353508767290784,1.2873158344638145,3.6041401667547253,3.5276335505976397,3.453641183453923,3.3390252202039896,3.2439271451866887,3.126951797518285,2.927446935079074,2.7451239796622224,1.893150976335844,1.8507790988446784,1.7743591134727807,1.7128162916065783,1.6383435245629985,1.5132801551622692,1.3761584035454069,1.232119542530343,3.715135159036981,3.666800145888048,3.5957724467100403,3.4997856611469587,3.399054985158816,3.2873848133447,3.120798908225549,2.952931546065807,1.7320928195734573,1.6689133629685142,1.5875203833287208,1.4930826440574791,1.4236647918390868,1.293990162645676,1.1174676290075611,0.9510850391665946,3.6211777107688334,3.5421693226789217,3.4644938886507717,3.3470886874137036,3.267574469520702,3.1442260888055618,2.9424141196317155,2.7627156965446886,1.860817213298366,1.821178853422089,1.753887277870514,1.6795981988981643,1.5953986982128419,1.4782327911624669,1.340469624906004,1.1940921207353128,3.7654285941254715,3.713492084519555,3.64150567624293,3.5567718189256707,3.4694608518327477,3.3495718238505416,3.1894920518897174,3.0307003984319545,1.683648714732073,1.6165477894202334,1.5399688065655266,1.4392363275980222,1.3568482995965163,1.2333724559971255,1.049683477448575,0.8791656347865672,5.054831348926665,3.699868156454452,3.5313927829064884,3.506535552547538,3.45328012031645,3.2930270913345456,3.1373394244591593,2.979105506007525,1.8146937359734356,1.781963039863273,1.6407182591896854,1.5546850246053208,1.518991570260404,1.348802248722413,1.2033769795536857,1.004039237056918,0,0,1,2,0,3,15,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4505237851453038,0.08333333333333333,0.08838834764831845,0.09196278254943947,17.012379111734035,11.308060412490448,7.985822843611274,5.3509536313038994,3.561043048445064,2.4528242655872448,1.5016827563099293,0.9993500601776564,0.7396686570319145,0.5140027460222931,0.3629919474368761,0.25480731577637616,0.1780521524222532,0.12909601397827605,0.08833427978293702,0.06245937876110352,15.784905618291743,10.114520292286103,6.55475887637088,4.1098763771484474,2.6281437010431112,1.7039154503908547,1.0575362567927065,0.6644577251954276,0.6863002442735541,0.45975092237664106,0.2979435852895855,0.19570839891183084,0.13140718505215557,0.08967976054688709,0.06220801510545332,0.04152860782471422,33.26615428455115,61.418062636562375,58.20784313725481,59.000000000000064,37.931568862275505,483.61683832335336,0.5280341949928754,0.9748898831200377,0.9239340180516636,0.9365079365079375,0.6020883946392938,7.676457751164339,6.903290000000008,100.43200000000007,176.85375677481733,280.8364292949742,353.70751354963465,15.37858754563629,176.85375677481733,0.07213907591663576,0.0031364815615928594,-6.047066650296598,220.77165582722196,9.598767644661825,12.413396552374584,697,0.0,0.0,2.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,18.0,3.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,16.0,0.0,2.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.366717561213044,4.696322586395672,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5080090704934612,0.0,0.0,5.53809897846654,1.149423368788899,0.0,0.5080090704934612,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.291287837247987,0.0,18.812338681809965,0.0,4.719954590458114,0.0,0.0,0.0,0.0,-0.023632004062442036,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.304491679676534,5.0622258815365075,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0622258815365075,-0.023632004062442036,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25258803307806393,0.0,0.0,0.21259071167196744,0.30796889348025713,0.0,0.25258803307806393,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0231502529592085,0.0,0.573321472298745,0.0,2.355314571624997,0.0,0.0,0.0,0.0,-0.023632004062442036,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.304491679676534,5.0622258815365075,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.304491679676534,2.3646400188331174,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25542103741539723,0.0,0.0,0.5597050045913683,0.5194926697530864,0.0,0.25542103741539723,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.268137584288779,0.0,1.4132343721864709,0.0,2.3646400188331174,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.304491679676534,5.0622258815365075,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,44.16666666666667,1.920289855072464,0.5597050045913683,11.304491679676534,0.0775695384561228,-0.023632004062442036,12.24630298822461,1.6902986707291088,4.304491679676534,13.755919977838287,1.6902986707291088,4.304491679676534,13.755919977838287,11.16666,0.48551,0.0,0.01449,0.47037,0.76667,0.42958,0.46513,0.76667,0.04079,0.00524,-0.03555,0.0,0.63327,0.08102,0.0,0.1194,0.04478,0.0,14.25,0.61957,11.75,0.51087,2.5,0.1087,-9.25,-0.40217,0.0,0.0,28.15844,1.22428,33.91846,5.76002,0.25044,9.70759,0.42207,11.30805,1.60046,0.06959,0.10595,0.00461,0.10595,0.00461,0.0,22.02,2,2,2,2,0,0,0.8571428571428571,1.1024261191531155,1.9583008279177965,3.192120844412164,4.0751800199794825,4.5782487252869375,4.625513900345467,69.45284550664627,123.37295215882118,201.10361319796633,256.7363412587074,288.4296696930771,291.4073757217644,0.18443608685932256,0.3276240786747594,0.5340423880538391,0.6817783460262165,0.7659418303779564,0.7738493026167427,4.8748538043468015,4.01897909558212,2.785159079087753,1.9020999035204342,1.3990311982129793,1.3517660231544495,0.18373768652551925,0.32638347131963275,0.5320201407353606,0.6791966699965805,0.7630414542144895,0.7709189833909112,9.286541017775908,17.68505039157342,22.65680310981429,25.796957175351732,27.133590272502403,26.13435149259206,85.74042317841688,60.05578838273394,45.849238913900315,33.83500987060087,28.431213815054406,30.553377437011264,23.0,20.045454545454547,19.954648526077097,23,3,18,3.55,3.098899999999998,0.047619047619047616,4.304039093853334,0.24253562503633297,0.0,29.770586248136542,2.9648823054630955,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.446,0.43,0.658,0.21600000000000003,10.783,22.0,21.0,20.0,19.0,17.0,16.0,15.0,14.0,13.0,202.0,3.2188758248682006,3.295836866004329,3.295836866004329,3.295836866004329,3.295836866004329,3.2188758248682006,3.2188758248682006,3.2188758248682006,3.2188758248682006,3.258096538021482,5.60947179518496,1.3465346534653466,0.47619047619047616,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.0,0.8181818181818182,20.0,0.9090909090909091,2,11.0,21.0,0.9090909090909091,1.5,0.666666666666667,0.375,0.24000000000000007,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.06818181818181818,0.030303030303030318,0.017857142857142856,0.012000000000000004,0.00584795321637427,0.004801920768307323,0.00390625,0.0032921810699588472,0.0028571428571428576,0.0025429116338207248,0.17110325839566864,176.85375677481733,280.8364292949742,353.70751354963465,15.37858754563629,176.85375677481733,0.07213907591663576,0.0031364815615928594,-6.047066650296598,220.77165582722196,9.598767644661825,12.413396552374584,26.3,384.0796718435245,5.523561956057013,4.48863636973214,5.1647859739235145,5.860786223465865,6.54965074223381,7.25063551189868,7.944846711001996,8.648396877031582,9.345482965918476,10.050743086817882,110.30396446202397,3.8066624897703196,0.0,4.890349128221754,0.0,6.102558594613569,0.0,7.3758821482150125,0.0,8.685246776412487,9.006509131694346,324.3028305200011,5.147663976507954,44.64990992523806,1.9413004315320896,5.406957395297754,5.406957395297754,0.0,1956.0,21.0,9.294000000000004,88.0,1.2347538150052775,2.1408191257899554,2.8888344230960277,3.6724091105596623,5.00651745093694,6.016219122075832,7.327284121967804,8.444234513332503,9.75130347770801,10.901938786135311,87.79052728627116,88.3580794007269,89.53967834760819,123.0211945889493,156.99046398393804,176.86778319971398,202.43243139267278,233.91515053681098,266.1981970935022,295.8710938010375,296.7241575401778,347.5975537822617,367.64348364352253,509.933817263983,664.0943620957044,781.7225818359028,903.7244811593795,1043.8684029683318,1186.3600557637299,1326.9813110953294,9.173838123042977,15.64946690748362,20.73610468427925,26.675468626827772,36.0627587162987,43.321564690644806,52.27650255098172,60.33409612179916,69.70861859703018,77.55351597825222,2.1645595504460395,2.783424083823812,3.053433818007694,4.171604697689448,5.515226152204066,6.56900553562151,7.701880079955313,8.889737456887099,10.118535240737046,11.378116167178764,176.9051947360428,330.0765881988883,472.8110707487669,590.2999417760809,809.5152690898676,972.948777756393,1195.4064503166192,1376.2181733413934,1594.739323957021,1777.5375299462082,2.7700982824587275,4.3879779371615415,5.112020292817207,6.978001785608257,9.408329266052094,11.038777560993763,12.49528040274265,14.628371035842134,17.27648957719988,18.511852054099897,0.4611227845589343,0.6075973150284795,0.6750069247583186,0.9206155106306478,1.2131202547011504,1.4425027191631943,1.6860745277276685,1.9497626555377086,2.2261542913334855,2.4911048879088593,778.3774237649914,1213.4634375228325,23.987397490718994,147.93748352031122,-230.62941165831418,-19.457175889355984,630.4399402446802,1444.0928491811467,43.44457338007498,0.8402946100113371,1.3099901858203482,0.02589551058939283,0.1597053899886627,-0.2489751701548304,-0.021004925793948408,721.0226111278408,1124.0492716230674,22.219883882631066,137.03669633113807,-213.63546207753524,-18.023472079982618,0.16770697343792007,0.20245430810087142,0.8544136211027816,2.6637390036315103,875.7110000317505,50.60390725355231,0.945370729915322,0.05462927008467804,1527.1278535770055,39.07848325584049,11.515738636086953,1926.6552586565986,43.89368130672795,12.443274182401371,2722.8485228396185,52.18092106162575,13.963935275245086,5.888132130369292,5.888132130369292,20616.132977648762,20507.784261031957,165.12911386232736,1.0052832970757686,124.84856543732799,124.1924199879729,8.932426713393717,14.51464329909626,27.824548664443775,0.9169984470907557,15.896478003945456,18.176552744772522,8.275389951743017,80.06335954775246,38.74721149609884,1.8006613936446951,21.162434591842846,13.063645539717433,64.55692552117374,0.6835367073609471,2.4515078311259852,50.1973132451123,5.047565839324776,72.16961174422603,0.017452260631065652,3.2471322705892334,36.248112420856955,1.7104650591569555,67.05745823136783,0.0011441793474209927,1.3200254393520316,27.087967715193322,2.2810436674810215,62.82568043441184,0.0011574353185855573,3.9346798609199913,15.95835364667447,3.363382461588179,44.35309842441569,0.02930800954168152,1.3413926208180817,18.448783824890338,0.7159715485935834,19.610009532777855,0.3352660536045524,0.22871847029258918,3.2810098566354626,0.2575950897275632,18.09135273684489,0.004862729925760332,0.47422989406915733,4.568513790941496,0.15070092789058456,15.894475426624247,2.0802259561620995E-4,0.48308209711243444,2.491075582619932,0.10087212468082964,13.18157731881188,8.666777700400915E-5,0.6665772580728827,0.6483736460507528,0.12850450159025437,9.484361660623357,9.205221742406529E-5,1.5689953246774837,0.2935296026984633,0.14964871766008242,6.751421622058288,4.387742556060754E-4,4.309181522577713,17.913642988551423,2.135554801994689,22.902200867737534,2.9259157540883156,0.5426122090964768,6.60800025341542,1.1540802369587764,23.396452351646847,0.05029191083589005,0.6758573797739892,12.06694712056898,0.6224838302039359,23.612033306909296,0.001499543033477457,0.7009838530131821,6.063115645481212,0.35369996547032206,20.228196312849825,2.85938507780017E-4,0.7061093245037882,3.0723372956288957,0.4562214679655541,16.660468356473775,3.0050526616282736E-4,1.7708597454154742,1.5397102337923492,0.5694401080706321,11.755861760059817,0.002748008421169813,15.007241580348554,18.462038731980993,8.142276258293426,74.43357097341476,34.69771626942564,1.7069487035269022,20.8988178437921,12.157360936255413,62.458390228708495,0.6090522468186089,2.490230212404864,47.22044204921904,4.662756015907165,69.39935447505427,0.015608248799377672,2.9690649053898497,33.459299784528035,1.5851893330921982,63.8407951582482,0.0010735702973770174,1.3038454321649497,24.482483785652455,2.109765325302319,59.2024221918657,0.0010890244545334756,3.7742960518322897,14.497217461493955,3.0830821539536855,41.830179002947595,0.026272899423808442,6.347582092265209,17.71127242452897,3.0521598410094133,27.788398017225667,6.223336697165807,0.7604177872815596,8.76539852437609,2.1576818334613006,27.979885162741557,0.10912172197048411,0.8186002683038989,17.746727448996882,1.077274071708039,29.730302520595338,0.003047788263460661,0.9540706482885003,9.509213486974875,0.5497295178144984,26.10171871914602,4.2765750825332995E-4,0.7567251106840144,5.604951585723953,0.7143435751770714,22.550534928431627,4.462782709192763E-4,1.9958825069143176,2.927137349243078,0.9277465015278306,15.875563706672414,0.0053972679954204465,19.19730730078142,18.365947864751753,10.29598406120547,108.25670265630524,56.4775804074645,2.162425295744101,25.923486267634118,19.02435980256648,81.46451093406831,0.9967164970338435,3.2896815654612017,63.205643367865314,7.0869958413217,90.8202023872863,0.025174901332890673,4.448725982862355,49.06695437292704,2.204924002079581,85.19591744520024,0.001412276701651718,1.5920623942514427,38.17381990210743,2.960065401028422,80.98500768373829,0.0014143512247598083,4.849623303585983,22.895844031196123,4.496089253527145,57.252022417336775,0.041985098168577324,9.956821451418929,18.245027088548223,6.037475552268505,48.25129545157928,16.186740231863336,1.0902359570956799,16.37306601184421,7.813908537210576,52.742092205889534,0.2661037576341675,2.7720329996879,31.482895821336815,2.8641243781128995,53.89681512689071,0.007005676474134349,1.5968255677409928,20.908509673254517,0.890548531130203,47.1341671371622,6.443804697629411E-4,1.1260511929966974,12.198468079058774,1.2667116168062191,39.3857713383999,6.626387739113479E-4,3.0550080891922318,7.776538522212487,1.6265226200883458,28.307886091566935,0.012577172465399673,66.89924269041349,0.8577946445204241,0.4471391915614453,0.9808672444630286,0.012576863884386839,0.5542073222152544,0.6627114849360508,0.5713789401521308,68.20417652649536,87.68263899884984,181.54626115586856,0.9713008666945431,1.7882977473034358,63.73371840010223,0.42313781695253627,0.08749103351425189,0.9920517699638971,0.006586382071907322,0.5029621778570709,0.15930570111786949,0.021875895911829635,64.24434725056902,32.58129612754233,99.18511438474299,0.9880776549458458,0.6841437748867699,64.36351564451834,0.5647191767353371,0.22940980794354926,0.9878121901244564,0.008666967321318513,0.5129885971936625,0.28713458190101776,0.15040515350696484,65.15764462919724,51.24248544702186,124.73855984196898,0.9817182851866846,0.9505283326016452,66.96351581811338,0.8499465577376656,0.43293394424537923,0.9812022235435561,0.012454087007776306,0.5552616082658537,0.6494260521931651,0.5356511366247552,68.24639632009642,86.27415950293,179.16116866033119,0.9718033353153341,1.740338797083774,64.84483183758266,0.6402091846791184,0.2965220829405114,0.9857599724998697,0.009732349832661361,0.5207058137408909,0.3698227784313389,0.25127705814842677,65.7815631052023,60.93201768675923,139.02347472602062,0.9786399587498045,1.1418056503206566,67.28706939471601,0.8978741053355079,0.4743015973119026,0.9800146986658305,0.013077249889104695,0.5606482930113711,0.7257249749674474,0.642906666473251,68.65924509736342,92.75554484812515,190.0698714114092,0.9700220479987458,1.9292799344520695,66.97703568305667,0.8557112420567405,0.4351765462900516,0.9810908590344405,0.012534601882466613,0.555478502226407,0.6572310883669022,0.5412148657011479,68.26792347140346,86.83222292586503,180.04142083644055,0.9716362885516608,1.753924456294457 +UMLCN0122,L,3-(3-methoxypropoxy)propan-1-ol,COCCCOCCCO,Ethers,Alcohols,C7H16O3,NREL (2014),IQT,PubChem,,43.9,0,-1.1958000000000002,1.4299376400000006,36.1715,25.394687999999977,0,0,26,10,16,0,7,0,3,0,0,0.0,0.0,0.0,0.0,0.0,1794.0098739999983,1735.6097409999993,1738.0744239999983,1566.6809909999977,1407.8289339999976,1103.2247209999982,912.9981080000001,724.331587,549.5753860000002,4111.130554033266,5010.777993559672,6037.411730357923,5762.344252981083,5010.945723735628,4285.0983295452925,3618.7251691199854,2815.2340364173306,2029.3868326098284,200.33418400000008,196.56713200000004,355.94636799999995,387.5761559999998,366.65096799999986,283.1490200000001,286.4380160000002,203.8539160000001,182.1042640000001,28.565718477583975,35.09023263600001,45.327177259641026,46.049033755282046,41.20203032498004,36.17464773358403,30.024786979281977,23.188224092489982,17.587796662187998,4402.596782425485,3755.916558824651,7424.919961015192,8559.954190767883,8201.62291799978,6460.5687176284355,6563.185971735633,4554.6201170760905,4190.729859245488,94.0,70.75,112.5,111.25,118.0,71.75,80.5,62.25,65.0,69.0003797692307,69.42438963999997,38.62387608888885,30.719235117647013,29.329769458333285,28.287813358974315,24.026266000000003,26.827095814814815,22.898974416666675,158.1204059243564,200.43111974238687,134.16470511906496,112.98714221531534,104.39470257782558,109.87431614218698,95.22960971368383,104.26792727471594,84.55778469207618,7.705160923076926,7.862685280000002,7.909919288888887,7.5995324705882314,7.6385618333333305,7.2602312820512855,7.537842526315794,7.5501450370370415,7.5876776666666705,1.0986814799070759,1.4036093054400005,1.0072706057698007,0.9029222304957264,0.8583756317704175,0.9275550700918982,0.7901259731389993,0.858823114536666,0.7328248609244999,169.33064547790326,150.23666235298603,164.99822135589315,167.84223903466437,170.86714412499543,165.65560814431885,172.71542030883245,168.68963396578113,174.61374413522867,3.6153846153846154,2.83,2.5,2.1813725490196076,2.4583333333333335,1.8397435897435896,2.1184210526315788,2.3055555555555554,2.7083333333333335,0.5408046441847002,-0.14558368263851457,-0.1740825154790423,-0.0762428039975191,0.21484919780266837,-0.0520178890544497,-0.07733540986131235,-0.02679074378687927,0.12084479893233258,949.2470738461531,-8.203830390533525,-417.5153351183439,-143.8441311597632,10.612924591716272,75.17594738461564,1.1620642248524646,-99.43169130177503,39.12122044970444,1151.6600368432632,-184.66076074441798,-298.0181115011667,-151.45817687814827,73.03346813933524,-147.04466157727006,145.1323585563959,-149.37508529343415,40.667885162005334,2.8502479999999997,-0.1671719999999983,-1.3855679999999952,-0.7001479999999989,0.9959120000000009,0.28420399999999646,-0.5497759999999994,-0.32158800000000015,0.5500079999999997,4.977650333840003,-1.5124410421439873,-0.649911889142996,-0.7641112603820002,1.2111148988839961,-1.4301671439999961,0.7389318095859949,-0.762835323078001,0.4589668361879959,28.04043693355151,-9.516101281274478,-2.957602033151483,-4.634275314385409,8.635929271843501,-9.00856982189426,3.9044810488691906,-4.460453317439974,3.250766206288939,32.46153846153848,-2.3860946745562135,-11.760355029585797,-6.501479289940832,6.994082840236683,4.057692307692308,-4.943786982248524,-4.613905325443789,4.881656804733725,0.02080017862248847,-0.005823347305540583,-0.003868500343978718,-0.0014949569411278256,0.004476024954222258,-0.0013337920270371719,-0.002035142364771378,-9.922497698844175E-4,0.005035199955513857,36.50950284023666,-0.32815321562134103,-9.27811855818542,-2.820473159995357,0.22110259566075566,1.927588394477324,0.03058063749611749,-3.682655233399075,1.6300508520710182,44.29461680166397,-7.38643042977672,-6.622624700025926,-2.9697681740813384,1.5215305862361508,-3.7703759378787196,3.819272593589366,-5.532410566423487,1.6944952150835555,0.10962492307692306,-0.0066868799999999316,-0.030790399999999895,-0.013728392156862723,0.020748166666666686,0.00728728205128196,-0.014467789473684194,-0.011910666666666672,0.02291699999999999,0.19144808976307706,-0.060497641685759496,-0.014442486425399912,-0.014982573732980396,0.025231560393416588,-0.03667095241025631,0.01944557393647355,-0.028253160114000034,0.01912361817449983,1.078478343598135,-0.3806440512509791,-0.06572448962558851,-0.09086814341932174,0.1799151931634063,-0.23098896979216052,0.10274950128603133,-0.16520197471999903,0.13544859192870579,1.2485207100591724,-0.09544378698224854,-0.26134122287968437,-0.1274799860772712,0.14571005917159754,0.10404339250493098,-0.13009965742759272,-0.17088538242384405,0.20340236686390523,-0.27996621621530554,-0.1859839963006963,-0.07187231264983115,0.2151916594304112,-0.06412406601139087,-0.09784254268715985,-0.0477039061968261,0.2420748420914984,-0.008988158974865238,-0.2541288660868897,-0.07725312427116783,0.0060560286626823445,0.05279689517856029,8.376076121862432E-4,-0.10086840265982663,0.04464730344874924,-0.16675684232354035,-0.14951308258698245,-0.06704580349749806,0.034350237028780276,-0.08512040988549836,0.086224306007449,-0.12490029186155319,0.03825510496390388,-0.06099780791004791,-0.28087043653745125,-0.12523057505116428,0.1892650510879523,0.06647468337258056,-0.13197536716657254,-0.108649259058627,0.2090491774750828,-0.3160002367254079,-0.07543813282897174,-0.07825919679596592,0.13179322094381524,-0.19154514654932178,0.10157100005823014,-0.1475760878521389,0.09988931306740066,-0.3529454749930663,-0.06094187242213081,-0.08425588140801947,0.1668231858631059,-0.21418044336570574,0.0952726606852646,-0.15318061387198048,0.1255923150731128,-0.07644549763033172,-0.20932069510268544,-0.10210482297184274,0.11670616113744062,0.08333333333333329,-0.10420304315290595,-0.13687028260487974,0.16291469194312777,1.2135569055072069,1.4205376472868758,1.0202488389353155,0.8071993389599468,0.577624245028963,1.0315535637598474,1.0206380634869832,0.8629294756417555,1.1168014073560548,1.3442728998851563,1.0433050451889194,0.958205913883334,0.7869140448972761,0.9337431358965009,1.0443894805136997,0.8917793588186478,1.5771155194809006,1.177739676277062,1.0338159074014546,0.8636450471305773,1.1171052041837854,0.7652497280175734,1.0668820559138588,0.7618321358415324,0.9834063562188272,1.5697768521663147,1.0961804988582762,0.8547114438229,0.450299097679957,1.126088529470898,1.0391337486734098,0.8503777566022321,1.8966544392660944,1.1341807736519083,1.047603334117616,0.7447972905496103,1.2483856991384448,0.7066212533480406,1.083008994551411,0.6394907141792397,1.9578689221904566,1.1409879735619044,1.0545296304597895,0.710839615741602,1.252939336635979,0.7076584132053432,1.0862063720358,0.6092951795648527,1.00888625592417,1.2236703528172714,0.9513521048229713,0.7942091232227483,0.3801342812006317,1.0944125717136437,1.2978321923819547,1.1552132701421793,59.37899173509176,30.064495867545872,47.93451004237544,59.97899173509174,5.997899173509174,30.064495867546267,0.7499999999999893,0.014436296256333525,0.0014436296256333525,-4.238009670360803,54.407900337852126,5.440790033785213,3.9965093701162586,59.40629038017528,30.07704355873568,47.95451084985423,60.004527770012146,6.000452777001214,30.077043558736072,0.7477967372960812,0.014387948437387388,0.0014387948437387388,-4.241364336878604,54.3865708382337,5.4386570838233705,3.9961172637957603,83.58168923405191,41.19235289993892,65.78716874649487,82.62410248671264,8.262410248671264,41.19235289993892,-1.1969834341740793,0.016817441756115548,0.0016817441756115548,-4.0853387313608005,45.60441089154655,4.560441089154655,3.820004441920063,59.43494076491521,30.090212582786013,47.97550248424802,60.031328285440665,6.003132828544066,30.090212582786396,0.7454844006568102,0.01433724972953132,0.001433724972953132,-4.244894252335054,54.36424576664082,5.436424576664082,3.995706690843695,109.15974000452468,52.956428605753615,84.79983565978897,106.56223377011072,10.656223377011074,52.956428605753615,-3.2468827930174484,0.035392371406862966,0.0035392371406862966,-3.3412589790464913,42.85774352541217,4.285774352541217,3.7578863410956207,62.23757880910548,31.378490683370185,50.03109186646637,62.6531008552134,6.265310085521341,31.378490683370284,0.5194025576348906,0.009582776905792179,9.582776905792178E-4,-4.647787864096845,52.44242454664408,5.244242454664407,3.9597158925071834,51.362705719853295,26.325512793760844,42.27731599643641,52.29728409092304,5.229728409092305,26.325512793782824,1.7687074829932108,0.03162550958141874,0.003162550958141874,-3.4537912188178272,80.63094552502955,8.063094552502955,4.389882515343162,0,11.99632004004988,15.998702755620029,-0.42155165245841913,0.07197368244495751,3.8357173629087837,6.476759325136494,9.0,25.0,25.0,25.0,9.0,0.0,0.0,0.0,0.0,0.0,21.323311999999998,3.4621961188696506,3.285455986334867,2.944316785519508,2.6203811283344205,2.238740038467745,1.763738226068795,1.4472762456663293,1.1688641072138986,1.781869407037124,1.6839471387748037,1.4130979642527401,1.176204593844987,1.0195837032839083,0.6649770134145039,0.6090708142194726,0.386931271168042,3.3987742068921185,3.2482718730466353,2.8240734107559673,2.5477431207979993,2.241200270471675,1.6724510051882713,1.4767335463459286,1.1649212602595198,1.7762406866553715,1.654119349988092,1.3825213839526727,1.155482887874306,0.9351367146753343,0.5817803841755741,0.47520991891854997,0.3173256003173386,3.595334579454869,3.442159359008737,3.1224178603116433,2.853844738844071,2.547723453620315,2.1224964249779985,1.9224811542466016,1.7269991305330632,1.5403603689342964,1.412544372955415,1.0407054419759785,0.790009782002884,0.5543993415477749,0.07487753181232593,0.0353032202003325,0.29948148601535224,3.395063711197646,3.2561764544725955,2.8134827804905105,2.5476733494176926,2.272729391442926,1.6889718419674655,1.5360760068788781,1.1930454354710867,1.770615644164143,1.6368700222573058,1.3686605221818837,1.1347214327020407,0.8798523842682086,0.5314416611350846,0.3872510072068147,0.24249543988047853,3.633156020198741,3.492779897155579,3.175231727426787,2.926022909117788,2.657677286584538,2.2423092952867725,2.091229148104803,1.9033621502572418,1.4970822866541662,1.3572855690627326,0.9732510757140411,0.7138620214341671,0.44388401047943266,0.0599881391839733,0.20690377298838172,0.46891145314456045,4.464150646702789,3.725496902248954,3.544783807877411,3.0450707546474334,2.679697829070234,2.2605602793153667,1.8917107929081483,1.628054489070883,1.581373622473315,1.4802807670197207,0.9934879801845269,0.8131396588094417,0.6762429107895224,0.21860569821767228,0.17444400472851265,0.35958462798731106,0,0,0,0,0,4,2,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.6568542494923815,4.914213562373096,3.121320343559643,1.9571067811865475,1.2071067811865475,0.7285533905932737,0.42677669529663687,0.23927669529663687,0.7656854249492382,0.5460237291525663,0.39016504294495535,0.27958668302664963,0.20118446353109123,0.14571067811865474,0.10669417382415922,0.07975889843221229,6.50635086354697,3.59050146026514,2.0358852944590655,1.0839258647273826,0.5739990726809729,0.29057334552171593,0.15443534674248416,0.07311788911215474,0.650635086354697,0.39894460669612664,0.2544856618073832,0.1548465521039118,0.09566651211349549,0.05811466910434319,0.03860883668562104,0.024372629704051577,13.479019743537558,26.094683175528036,24.85098039215687,25.279999999999994,14.82915449101796,201.94690898203595,0.5184238362899061,1.0036416605972323,0.9558069381598796,0.9723076923076921,0.5703520958083831,7.767188807001383,0.42189999999999983,39.014799999999994,34.34287175318626,54.77460084771694,68.68574350637252,6.868574350637252,34.342871753186266,1.1657341758564144E-15,1.1657341758564144E-16,-34.385425312513625,49.36979012827422,4.936979012827422,3.899338701264657,122,1.0,0.0,3.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.702577947845805,0.0,18.31935445011338,0.0,0.0,0.0,3.6085184043524814,0.0,0.0,0.0,3.385709013613923,0.0,0.0,0.702577947845805,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.022066326530612,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6743283100277149,0.0,4.006317239858907,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.364263432224742,0.0,9.955091017888638,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.702577947845805,0.0,4.8189799067775265,0.0,0.0,0.0,3.6085184043524814,0.0,0.0,0.0,3.385709013613923,0.0,0.0,0.702577947845805,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4426303854875283,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6743283100277149,0.0,0.21257716049382713,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.364263432224742,0.0,4.8189799067775265,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.702577947845805,0.0,8.364263432224742,0.0,0.0,0.0,3.6085184043524814,0.0,0.0,0.0,3.385709013613923,0.0,0.0,0.702577947845805,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5402777777777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6743283100277149,0.0,0.932468820861678,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.364263432224742,0.0,5.136111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.0,2.4,0.702577947845805,8.364263432224742,0.125,0.21257716049382713,2.6543547395439657,1.2874228395061729,2.3642634322247416,10.638708900226757,1.2874228395061729,2.3642634322247416,10.638708900226757,4.49999,0.45,0.0,0.05,0.54231,0.93,0.425,0.54231,0.87273,0.11731,0.0,-0.11731,0.05727,0.48387,0.23042,0.0,0.18518,0.0,0.0,5.75,0.575,5.75,0.575,0.0,0.0,-5.75,-0.575,0.0,0.0,7.6375,0.76375,10.82617,3.18867,0.31887,3.48981,0.34898,4.91421,1.4244,0.14244,-2.1E-4,-2.0E-5,-2.1E-4,-2.0E-5,0.0,9.03,3,3,3,3,1,1,1.0,1.3001946428885267,1.9849259129823316,3.026986833359287,3.3825680832760767,3.546593564294938,3.253915084508907,33.805060715101696,51.60807373754062,78.70165766734146,87.946770165178,92.21143267166839,84.60179219723159,0.27661127912575834,0.4222851545827973,0.6439795029551799,0.7196280105925491,0.7545237843615039,0.692257592827028,3.400245075252566,2.715513805158761,1.6734528847818058,1.317871634865016,1.1538461538461546,1.4465246336321855,0.2799816768123476,0.427430530116959,0.6518261353623286,0.7283963897771276,0.7637173545778955,0.7006924744296951,12.300355002006462,18.658850147873913,22.233873826108866,23.4496365953363,22.769393660377563,19.93776920027534,36.93053298257309,27.520076365361213,23.50142557520577,21.259501629620107,21.687219868989548,26.309559062263702,10.0,9.0,9.142857142857142,10,0,3,1.9,1.2710000000000008,0.0,1.3398602321756279,0.0,0.0,6.120463943040977,0.0,0.0,0.0,0.0,0.0,0.0,0.3535533905932738,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.8069999999999999,0.827,0.8190000000000001,0.233,4.837,8.0,7.0,6.0,5.0,4.0,3.0,2.0,1.0,0.0,55.0,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,4.02535169073515,1.0,0.4444444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.7777777777777778,9.0,1.0,0,5.0,9.0,0.8,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.0,0.0,0.05555555555555555,0.02777777777777779,0.017857142857142856,0.013333333333333336,0.01111111111111111,0.010204081632653062,0.010416666666666666,0.012345679012345675,0.0,0.0,0.15860134794658604,34.34287175318626,54.77460084771694,68.68574350637252,6.868574350637252,34.342871753186266,1.1657341758564144E-15,1.1657341758564144E-16,-34.385425312513625,49.36979012827422,4.936979012827422,3.899338701264657,38.69,155.99903118355002,4.321928094887363,3.5553480614894135,4.174387269895637,4.812184355372417,5.4510384535657,6.09807428216624,6.744059186311348,7.394493107219038,8.043342170441608,8.695004592732307,73.9679314791937,2.9444389791664403,0.0,3.9318256327243257,0.0,5.056245805348308,0.0,6.244166900663736,0.0,7.466799475018602,7.822845290279774,148.109944372,5.696536322,18.82909733129015,1.882909733129015,8.06249661503212,8.06249661503212,0.0,165.0,7.0,-0.1630000000000001,34.0,1.22956,2.1020561104622626,2.8283938811105016,3.5436847558799642,4.783988286853677,5.7300814986177775,7.048646185004934,7.9877240476883875,9.197223482264917,10.278757203672622,97.72984194583996,89.02162226204709,105.19362120936434,133.10466304900964,161.6166897899156,164.07895976551484,215.3557361500393,210.02369023230594,189.78336820784253,71.6770386522133,267.7993370145369,298.80235431797814,348.47531403003927,431.3453048334724,578.7470942446386,606.8276871208893,786.0192143191568,726.1510897380986,780.4156534973664,574.043643069562,9.761002272319999,16.694356775723694,21.63990106348424,27.749244457204085,35.07616873265668,43.75543203651483,53.6542407767787,61.37520650874571,67.11357994597118,78.52464374524645,1.8189250359304796,2.207718393664924,2.672050782959955,3.3647313050892453,4.70265328336957,4.842550492738427,6.295470133176557,6.101826949425629,6.946034179166218,5.562770682034261,183.12769888816274,343.9939209127741,472.1147656175227,596.3037914414616,784.2220758124695,979.7079427405937,1181.0820163831074,1387.3150410082192,1575.4723409422618,1868.507007644451,3.62338,5.377502287187959,6.447880735467506,9.943554525545727,9.423106998403403,12.992490092248799,17.03938922655124,23.40693398917519,20.76906369602277,27.761089589131196,0.43965086400000003,0.5550219984978827,0.666529133879711,0.8311016649518073,1.1105510925020818,1.2179821830949884,1.574367832528655,1.558309199254061,1.7176491587530374,1.5324852226833034,479.7261069416826,562.2483754771522,28.119765715341003,100.48843887681775,-117.77441480706031,-38.346888539309006,379.2376680648648,680.0227902842125,66.46665425465001,0.8268081357128679,0.9690352982860789,0.04846442737086651,0.1731918642871322,-0.20298425066355005,-0.06609087761702631,278.3440652564457,326.22468581466546,16.315497093049213,58.30485392292294,-68.33442859631815,-22.249422517387828,0.17894338141140298,0.3375563940855838,6.017063063929373,12.756746735570962,447.7673721001066,132.44717371839374,0.7717272435292839,0.22827275647071624,736.7257710911229,27.142692775241052,9.031681640657803,900.062244381893,30.00103738842864,9.655116419777015,1167.6721359549933,34.17121794661398,10.53028936847196,3.5718396098602976,3.5718396098602976,1811.6703586389274,1782.3395487216235,52.67705692942991,1.016456353638307,34.39201930103983,33.83521503696339,4.8485250447236,5.911828629864484,11.227120383908746,0.89909435588056,4.897846094561232,5.707914244241356,11.196530884195528,20.162199418847624,6.416909891780753,2.9019287341505895,12.665425493920104,6.935038217356799,7.036411046322994,2.5955200792685447,6.9487574955170155,3.473610536804525,4.1708541923935405,3.2222949116776074,0.32125938227340123,5.5337920950258725,2.291043360886904,2.4002608870733604,0.6942156207251544,1.450259566356206,2.0110604228672084,0.001167160635688433,2.284322545670318E-26,8.623034708551684E-71,6.2782520487868345E-137,8.816440171802235E-225,0.0,0.0,0.0,0.0,0.43094781274226335,6.3430042536857805,1.1119923376740402,3.491874384227136,0.20170672269912066,1.2664766752070438,1.0406934676532227,0.2736893987058189,0.32484665840043425,0.09461771840164333,3.9076385997760132,0.2034069415104923,2.612699991178046,0.09149734249384862,0.022762837554112365,0.9254523285396505,0.0611053121180611,2.219700683275461,0.04769294504586831,0.47464082369486993,0.015369276236395748,1.3047450566595821E-4,2.5535976072279854E-27,9.639514717629296E-72,7.018329981351974E-138,9.855718742370689E-226,0.0,0.0,0.0,0.0,1.2717016169576754,5.16183373346781,2.149539045149436,5.027020552348683,0.8730737240035884,1.3386142426813272,2.4081205104198005,0.8411764367941414,1.2148756247105632,0.38661886477586366,3.3537633786918075,0.46400962488498454,2.2927507549696395,0.412422384388272,0.07459698299333624,1.1149450752695305,0.2748468482273712,1.4999473837653612,0.1609220380611159,0.44230621881211063,0.14898384974926074,2.2601950392448788E-4,4.4235680964845455E-27,1.6698421728545734E-71,1.2157773216983508E-137,1.7072949502017366E-225,0.0,0.0,0.0,0.0,4.846125394531972,6.340669010037565,13.2839521462067,19.47064188563573,5.8251198966940585,2.7436770953245153,13.837594247037115,6.609729357941831,6.456596788359452,2.365129145119361,7.896651992772787,3.711430814014688,4.506615423486975,2.9180953814481954,0.29976873457101183,6.078815905108778,2.0896339272604263,2.8834893189992195,0.6480063893148211,1.6569362499892106,1.796017695466178,0.0014659970746976536,2.8691939114287746E-26,1.0830851681041993E-70,7.885717622030683E-137,1.1073776122096662E-224,0.0,0.0,0.0,0.0,1.8073531620153067,4.712984727491786,2.387571131000707,6.471054204926709,1.5112931385637667,1.467611378972412,3.077625017322375,1.3827590380028614,1.968555738207194,0.6519401783398624,3.1417175165665383,0.6161728982219347,2.262505288860187,0.7271858937742168,0.11288013828837004,1.2570423769192294,0.48805902539789286,1.4074503214752103,0.24421454435957982,0.4433203290314828,0.3209798411481266,2.2380154911537915E-4,4.38015908466603E-27,1.6534558084909037E-71,1.2038467509520277E-137,1.690541057178162E-225,0.0,0.0,0.0,0.0,6.09548867630672,6.108759806166423,16.01911280594589,26.950216687764573,8.847962759616012,3.6757674373843168,17.59738306148235,9.869334680705407,9.378178599602412,3.536337323111921,8.96416348087095,5.061148890423207,4.93550180795081,4.476445071451646,0.40448473064966806,7.808233339541914,3.2150027335899654,2.8789110893170573,0.8728350101198035,1.9389214230126441,2.932966732092566,0.0017046484147005847,3.3362732491058306E-26,1.2594018335449242E-70,9.169442555830024E-137,1.2876488722346548E-224,0.0,0.0,0.0,0.0,4.4463005802459135,8.378019964991626,15.420212651778039,14.45238021126475,3.0107931163603854,2.029761818192993,14.22240028923689,4.123692806057561,3.768779171526382,1.2521403013252876,10.84594482087594,3.1182564552210628,6.3367378822689755,1.4850583651392297,0.18225710340781356,7.415766477524829,1.0899419626947795,7.584277499280125,0.39386064390829256,3.2187918893242236,0.8376872962639612,0.0028359109175930437,5.550337425017137E-26,2.095183639929087E-70,1.5254595887134953E-136,2.142176372322196E-224,0.0,0.0,0.0,0.0,12.237944424499988,0.6990892361974959,0.44548039038461545,0.914472749872468,0.05223900632788561,0.565706561478417,0.6116895603123024,0.538451273154683,13.382514051082099,14.318610025937524,31.51239378928411,0.8717091248087019,1.7158473949454023,11.994207996955037,0.30855146057797,0.07877862694970374,0.9687171266699813,0.02492028522406802,0.5442312079473273,0.1156073906663956,0.01683860228218153,12.381538084482711,4.670024893693378,17.343109315341692,0.9530756900049719,0.6766772008959043,11.6667226602843,0.458917694543596,0.23279568246625945,0.9440290523070666,0.03713396202874832,0.5145253300689253,0.2600124936925889,0.14704121001268303,12.358436037294155,8.176862187879777,21.78170154933237,0.9160435784605998,0.9215790337741971,12.345114153151581,0.6754626391895702,0.4189713976331363,0.9185661585231609,0.05025932640305987,0.5756909918281121,0.5706392433858173,0.4762752088126375,13.439548189974287,13.793912643661034,30.727122287272387,0.8778492377847413,1.6226054440265671,11.624930920228444,0.5398841629240048,0.311860313143818,0.9317330579650518,0.04327147623671213,0.510673866274554,0.3622677779483726,0.26388180514271753,12.476675396296265,10.069839140085477,24.50378606831693,0.8975995869475777,1.1368234493656442,12.352542304048306,0.7251558622803254,0.46702211186731146,0.9119820897248957,0.05353789870785806,0.5763244837297485,0.6584596491946327,0.591785216541976,13.544720278195943,15.065092681848412,32.79317215105436,0.8679731345873435,1.8265693494663573,12.446395793699601,0.6798155219585054,0.42634933067484676,0.9183796419363259,0.050161407847486704,0.585132234936948,0.5785336322701259,0.4931969657680896,13.552560646332955,14.057604461723473,31.217614683871794,0.877569462904489,1.6568628329751633 +UMLCN0123,L,diisopropyl ether,CC(OC(C)C)C,Ethers,,C6H14O,Marquardt (2015),IQT,PubChem,,23.6,0,-0.04969999999999905,0.0024700899999999058,32.0097,20.69710199999999,0,0,21,7,14,0,6,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1135.7776229999986,1130.8836939999997,1439.6084789999984,952.2723879999999,790.0751080000001,302.76288000000034,36.578304,0.0,0.0,3192.6646094933612,3905.839240336223,4854.286769901666,4657.54873686134,4120.444613113295,3126.683726063614,1119.0147995134885,0.0,0.0,152.653308,149.87668000000002,276.2031000000001,324.08449600000006,271.6949920000002,251.4447360000002,241.86470400000016,0.0,0.0,23.60118466788598,29.423900340000017,37.94565979018804,38.49779103018803,37.41995415213103,32.060418298188,16.00606457456401,0.0,0.0,3535.0645506819865,2957.5797491706007,6033.097523019689,7092.116236985388,6470.5735762271315,5893.95296940059,6657.035472872964,0.0,0.0,45.80555555555556,46.66666666666667,80.77777777777779,91.33333333333333,58.99999999999999,60.0,36.0,0.0,0.0,54.08464871428565,56.54418469999998,38.90833727027022,22.67315209523809,20.258336102564105,8.41008000000001,1.016064,0.0,0.0,152.03164807111244,195.29196201681117,131.19693972707205,110.89401754431762,105.65242597726399,86.85232572398928,31.083744430930235,0.0,0.0,7.269205142857143,7.493834000000001,7.464948648648652,7.7162975238095255,6.966538256410261,6.984576000000006,6.718464000000004,0.0,0.0,1.123865936565999,1.4711950170000008,1.0255583727077848,0.9166140721473341,0.9594860039007955,0.8905671749496666,0.4446129048490003,0.0,0.0,168.33640717533268,147.87898745853005,163.05668981134295,168.859910404414,165.91214298018286,163.72091581668303,184.917652024249,0.0,0.0,2.181216931216931,2.3333333333333335,2.1831831831831834,2.1746031746031744,1.5128205128205126,1.6666666666666667,1.0,0.0,0.0,0.16738584540593582,-0.053514549047536095,0.03446159045562687,-0.11077413615811932,0.028286874318331566,-0.0056661548424853485,0.023513452571214403,0.0,0.0,638.6281311428568,-22.561180326530113,123.03420122449008,-518.4730811428575,45.940869448979505,-482.9657385306127,535.7108637551011,0.0,0.0,965.9836389660909,-166.07615682407183,-52.27177401780193,-239.32498307884876,69.70186552945628,-897.6975170579485,802.6767459661684,0.0,0.0,1.0823211428571415,0.05042938775510333,0.07498579591836947,-1.0551245714285664,0.09413444897958925,-0.027560816326532702,0.3219751836734647,0.0,0.0,4.253148427962,-1.1206957630439944,-1.1422360369559965,0.6893586137359996,0.3191723162830007,-3.9641931393959986,3.0920197953959936,0.0,0.0,23.456188489857226,-6.732245356615677,-7.792566056309517,6.400530384016945,1.7888907097346918,-21.413856054816375,16.021152129061335,0.0,0.0,8.026455026455027,-2.7474174855127225,5.613441672965481,-10.156084656084666,3.081821617535902,-3.9977324263038563,4.192743764172331,0.0,0.0,0.0079707545431398,-0.0026757274523768046,9.31394336638564E-4,-0.002637479432336174,7.253044697008094E-4,-1.5739319006903747E-4,6.531514603115112E-4,0.0,0.0,30.410863387755086,-1.1280590163265056,3.325248681742975,-12.344597170068036,1.177971011512295,-13.415714959183687,14.880857326530585,0.0,0.0,45.99922090314718,-8.303807841203591,-1.4127506491297819,-5.698213882829732,1.7872273212681098,-24.93604214049857,22.29657627683801,0.0,0.0,0.05153910204081626,0.0025214693877551667,0.0020266431329289047,-0.025122013605442056,0.002413703819989468,-7.655782312925751E-4,0.008943755102040686,0.0,0.0,0.20253087752200002,-0.05603478815219972,-0.03087124424205396,0.01641330032704761,0.008183905545717966,-0.1101164760943333,0.08588943876099982,0.0,0.0,1.116961356659868,-0.33661226783078385,-0.21060989341377073,0.15239358057183203,0.04586899255729979,-0.5948293348560104,0.4450320035850371,0.0,0.0,0.38221214411690607,-0.13737087427563613,0.15171463980987784,-0.24181153943058728,0.07902106711630519,-0.1110481229528849,0.11646510456034252,0.0,0.0,-0.3356931188753926,0.11685146388558514,-0.3308945744171958,0.09099571010188215,-0.019746335082479898,0.08194349189609156,0.0,0.0,-0.037093949025489285,0.10934410639199031,-0.40592721793747494,0.03873520447257687,-0.4411487693764563,0.48932702556949936,0.0,0.0,-0.18052061922282384,-0.03071249080727635,-0.12387631292337542,0.03885342590978168,-0.5420970540566806,0.48471638951851287,0.0,0.0,0.04892342489316743,0.03932243777402077,-0.48743599734327425,0.04683247717583324,-0.014854318390845795,0.17353339014245342,0.0,0.0,-0.27667281570985597,-0.15242734648547876,0.08104097769123973,0.04040818686932803,-0.5437021625622089,0.4240807120962088,0.0,0.0,-0.30136429145353816,-0.18855611446001413,0.13643585757303708,0.04106587240803498,-0.5325424476946745,0.3984309760866295,0.0,0.0,-0.3594100197758733,0.3969383028381049,-0.6326631509558344,0.20674661528320057,-0.2905405405405406,0.30471324983520065,0.0,0.0,1.3447415271064038,1.4178058372606943,2.881393909481991,0.07288560457003865,0.1884797417430936,0.0,0.0,0.0,1.351907573277368,1.036907151320096,1.6373210919731893,0.7777312622844649,1.2638133012122559,0.0,0.0,0.0,1.6670474567873403,1.0930541107093374,1.0236668767931056,0.9561234865917675,1.553700665711622,0.0,0.0,0.0,0.9151405814593199,1.4815505768283472,3.0503559721557902,0.0898960635653521,0.14608110329369714,0.0,0.0,0.0,1.8335579220967353,1.2170981382373023,0.8010486609110181,0.9707914531797165,1.5775361114170394,0.0,0.0,0.0,1.868478073519682,1.2640853783181594,0.7769438196171704,0.9561809139273154,1.5537939851318878,0.0,0.0,0.0,1.4569874752801582,0.9035436227262199,2.640079103493737,0.1703767557426094,0.8305866842452208,0.0,0.0,0.0,24.79403391150351,12.522016955751754,18.522016955751752,24.972605340074935,3.567515048582134,12.522027349013339,0.24999999999999822,5.551115123125783E-17,7.93016446160826E-18,-26.200963425165938,2000010.8320512064,285715.8331501723,10.15606420817461,24.804458124139337,12.526861851619014,18.53113494961723,24.98250496635269,3.568929280907527,12.526872191937251,0.24926557909869196,4.440892098500626E-16,6.344131569286608E-17,-24.74535434599005,2000010.8308252797,285715.83297503996,10.156064207745539,34.06032460614571,16.830665064043842,26.655029928665122,33.77532855038998,4.825046935769997,16.830665184799447,-0.39899447805802524,3.885780586188048E-16,5.551115123125783E-17,-24.838826320827216,2000010.2880872507,285715.7554410358,10.15606401778823,24.81539859098853,12.531946695603736,18.540704656694317,24.992894876859204,3.570413553837029,12.531956980649875,0.24849480021894088,5.551115123125783E-17,7.93016446160826E-18,-26.200963425165938,2000010.8295415288,285715.832791647,10.156064207296227,43.88849991236923,21.403102824015036,35.29740114175906,43.1154325806984,6.159347511528344,21.403102825197763,-1.0822942643391578,5.551115123125783E-16,7.930164461608261E-17,-24.589153860070102,2000010.1071881705,285715.7295983101,10.156063954473876,25.886009662901067,13.029571924389682,19.47784443308392,26.009676938528422,3.7156681340754885,13.029578020763516,0.17313418587829865,3.3306690738754696E-16,4.7580986769649563E-17,-24.9467317967063,2000010.7168128025,285715.81668754324,10.156064167841386,26.6888670826693,13.47935417625528,19.329225283451024,26.881610846841628,3.8402301209773757,13.479357837326289,0.2698412698412582,1.1102230246251565E-16,1.586032892321652E-17,-25.715760398773973,2000010.9158787925,285715.8451255418,10.156064237514105,0,11.889999999999997,15.994916137869176,-0.37531964741451496,0.1261689003055805,5.353938456322669,6.863208452436009,6.0,20.0,20.0,20.0,6.0,0.0,0.0,0.0,0.0,0.0,17.220898,3.479286242426835,3.1125998766762337,2.3335527931030478,2.3335527931030446,1.9353597167466587,1.1628377907398884,0.5238918787460748,0.08392307051869159,1.806415989224876,1.6672472374891434,1.2496297225843556,1.2496297225843553,0.6322467342162956,0.44034428888959226,0.0839230705186909,0.08392307051869108,3.4199524886169517,3.1507138345875365,2.405454587841288,2.4054545878412874,1.7962627071138653,1.2696909155890757,0.4259462912590747,0.27091390189293785,1.787861336774137,1.5885766696580848,1.134540685948352,1.134540685948351,0.5976732420130332,0.29000027673265333,0.27091390189293685,0.27091390189293707,3.6062986122656775,3.3180286284419527,2.7042369872335206,2.704236987233519,2.225116396563919,1.7027021271007745,1.0711146525004085,0.9439184268026233,1.5599389682090252,1.3512179951585748,0.7603185604308973,0.7603185604308972,0.12409105728704059,0.21832409322109264,0.9439184268026213,0.9439184268026214,3.4173786651214684,3.1788055441118486,2.4575399160416938,2.4575399160416933,1.7887340222945995,1.346550640621502,0.4265356773987266,0.3992772455089823,1.7765856002024358,1.537907806725024,1.0582626705327134,1.058262670532711,0.5772687526363125,0.18889388699035992,0.3992772455089813,0.39927724550898164,3.6452320436151044,3.398793114336889,2.838982085149649,2.8389820851496483,2.3096160395719174,1.8911821136059481,1.2082251928563523,1.2076448229620897,1.515604221441536,1.2757669623783716,0.631337262187563,0.6313372621875606,0.022793335482451327,0.40108138035971513,1.2076448229620858,1.2076448229620873,3.616479109490555,3.2144177144727495,2.5984868926708087,2.598486892670807,2.3438743854295865,1.3821958522566407,0.9664522870063946,0.5625000000000004,1.6547588036857865,1.4851122296725172,0.910986892670808,0.9109868926708078,0.3032969782407499,0.11150133705687088,0.5624999999999991,0.5624999999999994,0,0,0,0,0,4,2,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8164965809277261,0.0,0.0,0.0,0.47140452079103173,0.0,0.0,0.0,0.47140452079103173,0.9428090415820635,0.23570226039551587,0.2721655269759087,0.5443310539518174,0.13608276348795434,5.8618073195657985,3.125897657686229,3.0233959606302196,0.9428090415820635,0.9428090415820635,0.0,0.0,0.0,0.8374010456522569,0.5209829429477049,0.43191370866145995,0.23570226039551587,0.23570226039551587,0.0,0.0,0.0,5.562948828843115,2.780805597549535,2.2335923434492693,0.5443310539518174,0.5443310539518174,0.0,0.0,0.0,0.7947069755490164,0.4634675995915892,0.31908462049275277,0.13608276348795434,0.13608276348795434,0.0,0.0,0.0,10.507593730917977,20.5455207574654,19.427450980392162,19.720000000000002,12.070120958083828,162.60961197604792,0.5003616062341893,0.9783581313078762,0.9251167133520077,0.9390476190476191,0.5747676646706585,7.743314856002281,1.8198,31.35699999999998,14.175971065046902,21.64007268018466,28.351942130093807,4.050277447156258,14.17597291095027,0.0,0.0,0.0,2000010.5285921034,285715.7897988719,10.15606410196449,38,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1444444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.166666666666666,0.0,0.0,0.0,0.0,0.0,0.7499999999999997,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0416666666666665,0.0,0.0,0.0,0.0,0.0,0.3749999999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0416666666666665,0.0,0.0,0.0,0.0,0.0,0.3749999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.166666666666666,2.0238095238095237,0.45,5.25,0.05555555555555536,0.3749999999999998,3.8467499999999992,0.9583333333333335,1.7500000000000002,3.8333333333333335,0.9583333333333335,1.7500000000000002,3.8333333333333335,3.33333,0.47619,0.0,0.02381,0.46984,0.80952,0.42174,0.46984,0.80952,0.0481,0.0,-0.0481,0.0,0.58823,0.12606,0.0,0.6,0.3,0.0,3.5,0.5,3.5,0.5,0.0,0.0,-3.5,-0.5,0.0,0.0,6.44037,0.92005,7.47656,1.03619,0.14803,2.64202,0.37743,3.12588,0.48386,0.06912,0.28812,0.04116,0.28812,0.04116,0.0,6.01,1,1,1,1,0,0,1.0,1.115520093581932,1.3778903318832147,1.7723388509380997,1.7723388509380997,1.5631808784248253,1.240103028636372,23.425921965220574,28.93569696954751,37.2191158697001,37.2191158697001,32.82679844692133,26.04216360136381,0.2539707371322467,0.31370463453697855,0.40350882696834905,0.40350882696834905,0.3558897793493014,0.2823345649394874,3.2767973291968286,3.0144270908955457,2.6199785718406607,2.6199785718406607,2.8291365443539354,3.152214394142389,0.25810704599679474,0.3188138029212458,0.4100805964436783,0.4100805964436783,0.3616859984954388,0.28693282289988936,9.935135926835507,13.083578786450897,13.48111387778974,13.48111387778974,10.13564996534761,6.25871576788617,25.722850128000914,21.946156202715617,22.66880993252816,22.66880993252816,20.995546152421962,17.118611954960524,7.0,3.061224489795918,6.0,7,0,3,2.0100000000000002,1.0127000000000002,1.88988157484231,0.0,4.618802153517007,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.332,0.33,0.23400000000000004,0.02400000000000002,2.6719999999999997,7.0,4.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,28.0,1.9459101490553132,2.0794415416798357,1.6094379124341003,1.6094379124341003,0.0,0.0,0.0,0.0,0.0,0.0,3.367295829986474,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.3333333333333333,6.0,1.0,0,2.0,4.0,1.0,2.5,0.44444444444444464,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4166666666666667,0.06349206349206352,0.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6051587301587302,14.175971065046902,21.64007268018466,28.351942130093807,4.050277447156258,14.17597291095027,0.0,0.0,0.0,2000010.5285921034,285715.7897988719,10.15606410196449,9.23,121.12259315656118,3.807354922057604,3.295836866004329,3.8918202981106265,4.653960350157523,5.262690188904886,6.0330862217988015,6.645090969505644,7.417580402414544,8.030409562130485,8.803424211600703,67.03389907062754,2.5649493574615367,0.0,3.713572066704308,0.0,4.976733742420574,0.0,6.300785794663244,0.0,7.655864017616056,7.958576903813898,102.104465068,4.862117384190476,12.5091624342836,1.787023204897657,2.75930562250979,2.75930562250979,0.0,48.0,4.0,1.786,26.0,1.2238999999999998,2.0899996810072135,2.848856289193623,3.4561695223157063,4.063839835093587,4.721286181267054,0.0,0.0,0.0,0.0,80.31687477519993,91.32927945539603,68.74202837532013,78.23376576816295,36.54381827436274,4.797128922482925,0.0,0.0,0.0,0.0,260.83722227814695,295.52050417029074,328.590560250183,386.9553909511863,370.80377165105085,146.75525304378777,0.0,0.0,0.0,0.0,9.248938801599998,15.733203066818879,22.01110293810502,24.120225889209955,28.469372556208693,31.71979124254017,0.0,0.0,0.0,0.0,1.9048367799209995,2.253728212652162,2.6914519763204177,3.444135778224692,3.761858790996581,2.099144763676586,0.0,0.0,0.0,0.0,179.41807243191738,337.34898004277517,478.69162009098045,570.4497570809896,658.5511474777088,873.049155174436,0.0,0.0,0.0,0.0,2.9505333333333326,4.829111941806488,6.272033927728058,5.374188966196952,6.986446162170169,4.721286181267054,0.0,0.0,0.0,0.0,0.4256175000000001,0.5410634794678616,0.6463456204380714,0.7371484098441721,0.8182878297193207,0.48345970496174623,0.0,0.0,0.0,0.0,369.27916296468163,196.10847243859476,10.81038573029449,109.68455961603716,-58.24880901405821,-10.181371218178782,259.59460334864445,254.35728145265296,20.991756948473274,0.7709961016983864,0.40944326927713187,0.022570364352537443,0.2290038983016135,-0.12161423980130696,-0.021257082192614147,176.87132256505586,93.92884398880766,5.177782591915332,52.53492498332395,-27.89906640126665,-4.876507459635098,0.11185390716541468,0.7067115033771442,0.7398568224844155,12.417952553792711,461.39226308918467,17.57145949153418,0.9633135900212716,0.03668640997872839,443.6860743872091,21.06385706339675,7.627085227490353,579.3045795322358,24.06874694561883,8.336216539649802,754.387232622757,27.466110620594918,9.103284378289198,1.3640050822745842,1.0226653121344909,323.0980119988181,304.501977684778,116.5962803290266,1.0610703235999694,2.771083357780008,2.611592555315612,3.7256242159739843,3.1199696174516314,6.184431767287332,0.9822089717459273,3.90460793981653,5.9225872673406945,4.363567077014868,9.774344918597766,6.99673247029831,4.718978851202378,4.488066919996409,4.702919499538633,4.113840243357275,1.8405280258877124,0.9767569534995564,9.466333817928835E-5,2.5933764008109367E-29,1.3703301042733433E-75,1.3965636940932336E-143,2.745188693404706E-233,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3276869267672696,4.823141843304672,0.2649277668410163,3.4474623949601444,0.442681463158651,0.933037903793733,1.5587048579723508,0.3818973947718795,0.1722290228318886,0.1168265482972853,0.006879379088308308,6.667216309715737E-7,1.8265362039072516E-31,9.651346969828973E-78,9.836112287927417E-146,1.9334588428785835E-235,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0578126574413966,4.4411161396648104,0.7535934397501532,4.142029451543174,1.1094513895482283,1.3920364683090884,1.9079998001185223,1.227510420100834,0.6693947403804046,0.40192991385068677,0.0716884341293289,6.947753439803255E-6,1.9033915511529056E-30,1.00574476653245E-76,1.0249987372263983E-144,2.0148131847398298E-234,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.685631457977865,6.027088836522043,4.3735041549672955,9.606203633780252,7.318320478916681,4.376197343575599,4.220769231940686,4.425512611935029,3.7637892796855175,1.7113935532576257,0.8702728604828162,8.434333004231732E-5,2.3106516831603902E-29,1.220939452111328E-75,1.2443131083433022E-143,2.445913702702382E-233,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.559021118527336,4.378839822134238,1.0950164359017744,4.796440046670043,1.5229626011565105,1.800296002136977,2.2216092507206575,1.8188050787488725,1.1019571885506148,0.617461177493837,0.15571685841259914,1.5091448876114828E-5,4.134420792898258E-30,2.1846120271899466E-76,2.2264342243803753E-144,4.376443469946205E-234,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.715379564548839,6.707769820614726,5.986978298439046,11.782076640660277,9.878076163227822,6.1141895532666375,5.577626737104927,5.744653220640804,5.533396985545789,2.345463034403657,1.424508219524304,1.3805758212507712E-4,3.7821957509895665E-29,1.9984976713041242E-75,2.0367568965824012E-143,4.00359971217954E-233,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3532237026957215,4.762709878042247,2.48481350237909,7.7991526379272536,4.562803336579713,2.3978536403112494,3.172857923458189,2.896209320274813,1.8900882515856756,1.0098140399533457,0.30905200481821915,2.9952071845790453E-5,8.205605018190855E-30,4.3358100955523745E-76,4.418814813341873E-144,8.685948600225827E-234,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.514787565948853,1.119915952202408,0.9992166330239107,0.6238617998900301,0.19878094153833656,0.581278819536279,0.41690125877268897,0.5001197839278286,5.633920151175172,8.567339508179971,18.134442781750508,0.4357926998350451,1.4982998622367967,2.502452909433867,0.6812515091804481,0.47986957015151094,0.683063292049654,0.18595270936781222,0.29442665287329656,0.15424308709353132,0.11526293730227237,3.6635739887658256,3.232562692054742,7.7142182382165005,0.524594938074481,0.5639326772691002,3.0462769297976195,0.857593271918124,0.7168407052277573,0.659265855654377,0.1855976903098236,0.43644732762309246,0.24444126343433994,0.2573042785417181,4.620710906943501,5.410919667909379,11.90435297434632,0.48889878348156546,0.9381928695991505,3.4360355848778177,1.1029185649616169,0.9709664764614404,0.6236089079897735,0.200169592225518,0.5555131524400853,0.40432244879806617,0.47222539895280635,5.509920626300875,8.196839754120122,17.386400418132574,0.43541336198466024,1.432061000190958,3.2616571312458293,0.9409345860264798,0.8202479433244029,0.649365170230886,0.1873312009953145,0.5004146420162613,0.29427893464794175,0.33694106279223174,5.022839660596712,6.516173215273892,14.056358737511758,0.4740477553463289,1.1316346394564347,3.5542481991939274,1.1504002073045054,1.0289453718754669,0.6198988516765737,0.20064208448872178,0.5944349827369568,0.4399089545479878,0.5303370272043868,5.7335937783738995,8.929634069332211,18.870387777054987,0.42984827751486043,1.5646809644893314,3.479087997143587,1.109470766512375,0.9830052651033703,0.6244365099611544,0.1991309371633355,0.5695649042141591,0.40914975200090237,0.48403231566241434,5.571564028759333,8.37052385086492,17.73643554033786,0.4366547649417317,1.462746971877476 +UMLCN0124,L,methyl decanoate,CCCCCCCCCC(=O)OC,Esters,,C11H22O2,Marquardt (2015),IQT,PubChem,,52.7,0,-1.9187000000000005,3.681409690000002,42.8175,35.63344599999997,0,0,35,13,22,0,11,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2121.1947409999975,2141.224992,2425.027019999998,2241.3000709999956,1924.974504999996,1685.9331839999961,1489.1764549999968,1292.4197259999974,1095.6629969999979,5775.309850651803,7244.046182122839,9330.496783737548,9582.270509973247,8748.256787559727,7681.920017313767,6675.121672358644,5668.323327403523,4661.524982448398,257.45531600000015,254.55420000000004,472.87324799999993,598.7377160000003,568.4677,517.4800799999996,454.59517999999974,391.71027999999984,328.82538000000005,41.74579190667804,53.616094820000015,75.22491947588597,81.44563724886589,74.91616096746992,66.95800557916805,57.93647671977208,48.91494786037607,39.893419000980046,5833.828833128479,4969.8752397388,10136.976275821939,13708.488731812668,12937.988173873322,12012.98610089177,10534.030945853174,9055.075790814579,7576.120635775981,112.02777777777777,81.75,140.91666666666669,157.33333333333337,155.58333333333334,128.33333333333334,116.08333333333333,103.83333333333333,91.58333333333333,60.60556402857136,62.977205647058824,37.89104718749997,27.003615313252958,24.67916032051277,23.415738666666613,23.637721507936458,23.933698629629582,24.348066599999953,165.0088528757658,213.06018182714232,145.7890122458992,115.44904228883429,112.15713830204778,106.69333357380232,105.95431225966101,104.96895050747264,103.58944405440884,7.355866171428576,7.486888235294119,7.388644499999999,7.213707421686751,7.288047435897436,7.1872233333333275,7.215796507936504,7.253894074074071,7.307230666666668,1.1927369116193727,1.5769439652941182,1.1753893668107183,0.9812727379381433,0.9604636021470503,0.9299722997106673,0.9196266145995569,0.905832367784742,0.8865204222440011,166.68082380367085,146.17280116878823,158.3902543097178,165.1625148411165,165.8716432547862,166.84702917905236,167.20684041036785,167.6865887187885,168.35823635057736,3.2007936507936505,2.4044117647058822,2.201822916666667,1.8955823293172696,1.9946581196581197,1.7824074074074074,1.8425925925925926,1.9228395061728394,2.035185185185185,0.2900401772950508,-0.1539367940850134,0.023532600922261518,0.014146207293721482,-0.03667009397618361,0.004826749490389035,1.8395549912026419E-4,-4.099142234835311E-4,-0.0012908998853480404,1129.5996831428565,-18.060282367348073,-228.19853620408247,39.619377346938776,-231.46615877551056,14.661729306122613,10.89369371428582,7.125658122449142,3.3576225306123817,1683.1538382573829,-152.71031605942085,-517.7664475967234,-10.885051352428913,-212.9968484413672,12.335008024057693,11.832886366347516,11.330764708637226,10.828643050927049,2.100074742857142,0.03876487836734956,0.6950651559183687,-0.03325427591837027,-0.4277187983673481,-0.07449067102041135,-0.10450870857143052,-0.1345267461224498,-0.16454478367346903,7.455267599394692,-1.053057243979499,-2.1035304192744357,-0.36199036254408334,-0.4928347525021003,-0.04995196885170006,-0.0511180391452386,-0.05228410943877626,-0.05345017973231525,41.294498774154604,-6.356976202949704,-10.689286952240185,-2.542639846292082,-2.0489302956229167,-0.49579420129503937,-0.5145548100045811,-0.5333154187141123,-0.5520760274236434,40.122222222222156,1.1011111111111118,10.578888888888876,1.7688888888888907,-9.53666666666669,-1.8133333333333317,-2.4533333333333314,-3.093333333333332,-3.7333333333333325,0.008286862208430024,-0.004527552767206277,3.676968894103362E-4,1.704362324544757E-4,-4.701294099510719E-4,6.703818736651437E-5,2.9199285574645107E-6,-7.591004138583909E-6,-2.8686664118845342E-5,32.27427666122447,-0.5311847755102375,-3.5656021281887886,0.4773418957462503,-2.9675148560962894,0.20363512925170296,0.17291577324263208,0.13195663189720633,0.07461383401360848,48.09010966449665,-4.491479884100613,-8.090100743698803,-0.13114519701721583,-2.7307288261713745,0.17131955588969017,0.18782359311662725,0.20982897608587456,0.2406365122428233,0.06000213551020405,0.0011401434813926342,0.010860393061224511,-4.006539267273526E-4,-0.005483574338042924,-0.0010345926530612687,-0.0016588683900227066,-0.002491236039304626,-0.003656550748299312,0.2130076456969912,-0.03097227188174997,-0.03286766280116306,-0.004361329669205823,-0.00631839426284744,-6.937773451625008E-4,-8.11397446749819E-4,-9.682242488662271E-4,-0.0011877817718292279,1.179842822118703,-0.1869698883220501,-0.16702010862875288,-0.030634215015567255,-0.026268337123370726,-0.006886030573542213,-0.008167536666739384,-0.009876211457668746,-0.012268356164969853,1.1463492063492045,0.0323856209150327,0.1652951388888887,0.02131191432396254,-0.12226495726495756,-0.02518518518518516,-0.03894179894179891,-0.057283950617283926,-0.08296296296296295,-0.5463530891825988,0.04437106351741762,0.020567040716701557,-0.05673189660047933,0.008089694950920994,3.5235635443463004E-4,-9.160287630777503E-4,-0.0034617040077803024,-0.01645845640743431,-0.11047814225601645,0.014790165578513084,-0.09194675026323901,0.006309517991346894,0.0053576963182688335,0.004088600754164817,0.002311866964419139,-0.09339716451960028,-0.168227953733935,-0.00272707211383292,-0.05678358492468529,0.0035624696446922384,0.003905659488551577,0.004363245947030651,0.005003866988901407,0.01900171505060415,0.18100010889408388,-0.0066773277870954585,-0.09138965290844323,-0.017242597188650465,-0.027646822499185833,-0.04151912291323302,-0.06094034349289908,-0.14540450780724,-0.15430273732013425,-0.02047499119073841,-0.029662758076935494,-0.003257053721674464,-0.0038092409504588984,-0.004545490588838068,-0.005576240082569043,-0.15847016637885622,-0.14156132113329,-0.0259646576995365,-0.022264268282955992,-0.0058363965474457205,-0.006922563339473073,-0.008370785728842709,-0.0103982970739602,0.02825109550882115,0.14419265785101087,0.0185911188370208,-0.10665594444326142,-0.021969906766362058,-0.033970276008492596,-0.049970768331333335,-0.07237145758331036,1.5791721775749048,0.9888500286851053,0.8337112207566677,0.9093291194692701,0.7395029573597962,0.8289257068879622,0.9407324928026762,1.0981812130500734,1.2000555021655095,1.1624174756896526,0.9180020456827348,1.0571424824549367,0.9030953347664739,0.9164268903968488,0.9342022979040154,0.9590878684140487,1.5019866290367743,1.2938682526257412,0.9846327821264931,1.017403168882195,0.9407464958430977,0.9307701898546096,0.9174684485366255,0.8988460106914473,0.713104143123287,0.7415125962999738,0.7598633968331076,1.0692337144599744,0.7672609457419403,0.8646804564827403,0.9945731374704735,1.1764228908533003,1.6365345670931528,1.3106739310555338,1.0041916724871414,0.9892964773703464,0.9425056256400294,0.9314403345391544,0.9166866130713215,0.8960314030163555,1.6581994987077013,1.3023216810355842,1.0046584329902712,0.9820181045520954,0.9388128618923192,0.9300335673971709,0.91832784140364,0.9019398250126957,0.552478537801164,0.5049890958183336,0.7925331900851827,1.2964659267622456,0.7630619403673972,0.865345307328139,1.0017231299424614,1.1926520816025128,104.77807944711304,52.63903972355649,84.76315106613565,105.20115637018993,8.092396643860763,52.63903972355649,0.49999999999994316,0.14516871076690574,0.011166823905146596,-2.508816297518599,75.78785669266094,5.829835130204687,5.6263195012320875,104.78923585573858,52.643883506968,84.7688327396774,105.21106991267487,8.093159224051913,52.643883506968,0.4985311581974301,0.14504407234041888,0.011157236333878376,-2.5099329262394985,75.7941371284352,5.830318240648861,5.6264272259862675,114.90812459620602,57.055067820044975,90.04803427352984,114.2329031718001,8.787146397830778,57.055067820044975,-0.7979889561160718,0.032636892968424425,0.0025105302283403405,-4.449005527636206,90.59137959553385,6.9685676611949114,5.85826677874089,104.80094540522342,52.64896750283065,84.77479643847843,105.22147506713239,8.093959620548645,52.64896750283065,0.4969896004378782,0.14491325792597437,0.011147173686613413,-2.5111059177976656,75.8007425779362,5.8308263521489385,5.626540515885945,126.044936715121,61.940174093221344,96.16413123043922,124.21336180623936,9.554873985095334,61.940174093221344,-2.1645885286783084,0.09175205925583058,0.007057850711986968,-3.105264952522313,110.50796782305166,8.500612909465513,6.116613912960416,105.94988846544916,53.14807841860288,85.3615740856117,106.24288478001242,8.172529598462493,53.14807841860288,0.34626837175658665,0.13209454084164263,0.010161118526280202,-2.631508612538704,76.5195449416087,5.886118841662208,5.638810056923442,111.75269047155973,55.97589488300344,91.8734316732948,112.3861015049708,8.645084731151599,55.97589488300344,1.1763347763348477,0.21207832198920623,0.016313717076092787,-2.016039517949862,73.17360197786029,5.628738613681561,5.580685145369538,0,11.996233073965085,15.998260933661227,-0.3495952125268269,0.2612293349663882,4.033662054416222,7.495127989270576,12.0,34.0,33.0,33.0,11.0,1.0,1.0,0.0,0.0,1.0,26.92455399999999,3.5656922140231613,3.4400688277312272,3.205253184171637,2.8985075687651833,2.64334950805373,2.4046701240892587,2.0418985458616183,1.6890905351429673,1.9268850986344652,1.7955315787066013,1.6000235039662862,1.4390647447368512,1.3087116292526637,1.0728142067985809,0.8553629870480889,0.6884245463633456,3.5520184425966894,3.4064201254860538,3.1724372684544484,2.8860112873776287,2.644670640254834,2.3923838494947187,2.0581444133702664,1.7408319321368246,1.8722786043650572,1.7501294657349924,1.5721406708356096,1.3984572986441643,1.2240996468076462,0.9955113149297631,0.7721890799746428,0.5922238123187328,3.6857526781815193,3.5680439915340054,3.365529356078637,3.115026431184266,2.896202190083674,2.66337694555798,2.3779298899222834,2.1174685014404675,1.6932846600767302,1.5469442522880488,1.3262392880994454,1.0923911505551875,0.911633896253259,0.6550919403869477,0.3756902661497458,0.1397709373881774,3.5678345168855,3.4133301415704826,3.173525252848601,2.8931351803824192,2.6722285373990733,2.4133866362548924,2.0865656498877625,1.7869054973341059,1.8410622180503904,1.730427220356108,1.55776649256113,1.361237728633397,1.1715062563942997,0.9509662060786679,0.7214344234720355,0.5268568542391803,3.7354861007090694,3.609815175893946,3.4141856149398384,3.190711786396013,2.990237371810916,2.7532661421953812,2.491504158549239,2.2633936780201256,1.640937445330515,1.497459116569687,1.2761695510455748,1.0238129564534206,0.8160782262368389,0.5632037793285992,0.26691034363381816,0.0031493373453646534,5.048753998825338,3.549280247873494,3.4080645660396827,3.3434955286077574,3.075340351605686,2.718787297042119,2.350443812234589,2.052887482754282,1.8068021514307226,1.631317850358214,1.3726355085020152,1.0857204871213122,0.9703252245154594,0.7505725609652968,0.49056035557683586,0.2874001077124006,0,0,1,0,0,1,8,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.49279927982674443,0.348461712529338,0.24639963991337221,0.10059223176554563,0.07112944921610614,0.050296115882772816,9.941311299868556,6.308060412490448,4.423415484140858,2.997400240710626,1.6540302062452237,1.0445759751233812,0.6502384078259749,0.39728798756169065,0.7647162538360427,0.5256717010408707,0.3686179570117382,0.27249093097369326,0.18378113402724708,0.13057199689042265,0.09289120111799641,0.06621466459361511,8.973350830420108,5.377156752707548,3.447452956719721,2.212125131752582,1.3285064210999198,0.8143958992096243,0.487476515253323,0.28219794960481215,0.6902577561861621,0.44809639605896234,0.28728774639331006,0.2011022847047802,0.14761182456665775,0.10179948740120304,0.06963950217904614,0.04703299160080202,18.389704050478315,34.42753095411508,32.67843137254903,33.15999999999999,20.744578443113785,269.61984790419166,0.5254201157279519,0.9836437415461451,0.9336694677871151,0.9474285714285712,0.5927022412318225,7.7034242258340475,3.3001000000000023,54.62600000000004,55.2712334250883,87.76703173474348,110.54246685017662,8.503266680782815,55.2712334250883,0.07975193801171726,0.00613476446243979,-3.287484507482612,80.55452615150297,6.196502011654075,5.70561458821624,201,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.281143658680186,-0.07540908184261319,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.630514369238666,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.6674957691218513,0.0,9.293436320707245,0.0,0.0,0.0,0.0,0.0,0.0,-0.07540908184261319,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.724767057687783,4.556376600992402,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.556376600992402,-0.07540908184261319,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22109504132231406,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4479975784697106,0.0,0.5875771604938271,0.0,0.0,0.0,0.0,0.0,0.0,-0.07540908184261319,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.724767057687783,4.556376600992402,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.724767057687783,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5125,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.219498190652141,0.0,1.3442476851851852,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.724767057687783,4.556376600992402,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,28.166666666666664,2.1666666666666665,0.5559027777777779,10.724767057687783,0.22109504132231406,-0.07540908184261319,6.07442715938134,1.74207574850928,3.724767057687783,10.00128369866465,1.74207574850928,3.724767057687783,10.00128369866465,6.16666,0.47436,0.0,0.02564,0.49238,0.81795,0.42683,0.49238,0.81795,0.06555,0.0,-0.06555,0.0,0.57994,0.13435,0.0,0.21622,0.08108,0.0,8.25,0.63462,6.75,0.51923,1.5,0.11538,-5.25,-0.40385,0.0,0.0,12.71228,0.97787,16.11502,3.40274,0.26175,5.18293,0.39869,6.30805,1.12513,0.08655,0.10595,0.00815,0.10595,0.00815,0.0,12.02,2,2,2,2,0,0,0.9090909090909091,1.1818189193726576,1.7647407293900017,2.9457863201572456,3.5440274896488506,3.761445788918474,3.645964532348005,41.363662178043015,61.76592552865006,103.10252120550359,124.04096213770977,131.65060261214657,127.60875863218017,0.23040626057646482,0.34405212649800176,0.5743076196859527,0.6909401329466308,0.7333277919140471,0.7108136790860031,3.9474640975723085,3.364542287554965,2.1834966967877207,1.5852555272961157,1.3678372280264925,1.4833184845969614,0.23040626057646482,0.34405212649800176,0.5743076196859527,0.6909401329466308,0.7333277919140471,0.7108136790860031,10.496213980710762,17.71955653634746,21.435482592174445,23.56309913503665,23.391176041425084,20.916255116958702,47.67592138555767,34.629321638731284,29.349678947071723,24.322956424715198,24.504468833204456,29.43704011388531,13.0,10.083333333333334,9.917355371900827,13,3,10,2.4499999999999997,1.7329000000000017,0.09090909090909091,3.3504576678889904,0.47140452079103173,0.0,11.24058362962237,2.1252005594420327,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,5.853000000000001,12.0,11.0,9.0,8.0,7.0,6.0,5.0,4.0,3.0,90.0,2.6390573296152584,2.70805020110221,2.6390573296152584,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,4.634728988229636,1.1333333333333333,0.45454545454545453,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,0.75,11.0,0.9166666666666666,0,6.0,11.0,0.8333333333333334,1.5,0.666666666666667,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.01652892561983471,0.125,0.05555555555555558,0.022727272727272728,0.01777777777777778,0.013888888888888892,0.011661807580174927,0.010416666666666666,0.009876543209876541,0.010000000000000002,0.005509641873278237,0.28241415427949135,55.2712334250883,87.76703173474348,110.54246685017662,8.503266680782815,55.2712334250883,0.07975193801171726,0.00613476446243979,-3.287484507482612,80.55452615150297,6.196502011654075,5.70561458821624,26.3,213.75628428565565,4.700439718141093,3.8918202981106265,4.553876891600541,5.241747015059643,5.921578419643816,6.616065185132817,7.301822342137932,7.999342952713282,8.687948111838727,9.387230538772931,84.60143175501031,3.2188758248682006,0.0,4.290459441148391,0.0,5.5093883366279774,0.0,6.790097235513905,0.0,8.103191752285786,8.422442854870427,186.161979944,5.318913712685714,24.655063341066814,1.8965433339282165,5.13459367046743,5.13459367046743,0.0,346.0,11.0,4.4769999999999985,48.0,1.2390294117647058,2.1326403765095483,2.869198846643695,3.621536167050908,4.915327028968093,5.936740551737509,7.2465413282156295,8.351137225927836,9.636264164544688,10.76484250854903,89.13312335861762,89.39709248848158,90.34986482264394,111.9450296789518,134.72865996725173,164.39326335403632,194.83131825633777,227.22693043335497,261.84722147630487,302.5104155571359,288.348052891101,332.2568287382891,362.8572280479728,472.93824111769146,577.6799727739568,698.0310708594478,818.2603972538585,929.8159330519377,1031.6776939133547,1107.687042853557,9.327894022705884,15.830510554039764,20.75742169564037,26.519686641728985,35.4813118356624,43.05169906851152,52.748613456851935,61.242895598831204,71.3929081514136,81.19987962610078,2.080657882195881,2.630683881531336,2.99337982237794,3.9054674343111038,4.890686534837512,5.888887056368165,6.91054067492555,7.797591806674997,8.5761992636237,9.005743210071088,179.14568475943705,334.398557891451,470.21923195123884,586.6949774125019,810.9018707692026,978.6606387424854,1204.542942626976,1392.8780673566466,1621.8379915570597,1830.6558943404439,3.0620318627450973,4.873063127194825,5.530791596079095,7.344412985218884,8.996593601400058,11.242670381436408,14.20764003760781,17.310923926001937,21.57515918724393,28.55690573884071,0.4551174264705884,0.5886496635312091,0.6712521665227703,0.8788667919043558,1.1002997285185305,1.3352786378100852,1.5876437472285814,1.8206860528351223,2.056342618482035,2.2592013955112833,520.1817045388973,528.4123134145265,17.67260310374329,202.03082482029876,-205.22747069501395,-23.90720664168727,318.1508797185985,733.6397841095404,41.57980974543056,0.7202612574451505,0.7316576380686381,0.0244700865539176,0.2797387425548494,-0.28416492701546997,-0.03310273038727205,375.6817445614151,381.6259934156495,12.763375387915621,145.90919300199266,-148.21785070463633,-17.26608417860594,0.25711885973486054,0.31398333398569866,1.6495524463003313,6.044716877606271,663.3674146334217,58.84511472577434,0.9185210553215042,0.08147894467849562,896.3924363600145,29.939813565886052,9.641976332599947,1109.5072301593427,33.30926643081986,10.35245565561372,1530.647537558536,39.12349086621152,11.524578904805281,4.0887229187987675,4.0887229187987675,3503.7242528431857,3436.234692600515,100.86512192489272,1.019640556097056,34.73672748298631,34.06762047201253,6.001134535262181,7.824183867534372,14.698328310986673,0.8785765467470467,6.149038233162734,9.035614919201114,6.273954863688738,37.42707116241513,16.505609838521977,1.5519098190188394,6.982666852496902,8.878091544683244,25.45352639716002,1.4349907552572527,3.698455395231847,20.071194079318794,5.840476972135282,18.733961394774564,3.3933831260730773,3.9734883412963766,7.349033416351215,4.099644115247635,5.806219518246877,3.539485138870447,6.476212730383269,2.6975680093055634,2.337987916360683,0.003660981876885746,1.241930884979295,0.6012140220262987,3.724667593058572,1.0250019873620653,2.2326348668610634E-4,2.4541490717161613E-28,0.5325536898013871,9.186369524067237,0.5729197306053553,8.941995777295295,0.34411571729247437,1.0724290574419013,1.0206014654650974,0.34211520671179946,7.758537727203661,0.052443277322965665,1.9383249787733545,2.2285504333664337,0.2092322890793741,4.995849341721908,0.07854955244378603,2.1784974157924006,0.5172710182954022,0.16705894477304917,2.0265196830488525,0.10554132901925813,2.346503701688774,0.13840061468969028,0.2629900483482313,0.0015021541744281732,0.04203754122742832,0.5991442273057069,0.3007246031805051,0.0072191729198391,1.5724629919329143E-6,1.7284772576295733E-30,1.671730791888821,8.905301479274538,1.3296470641659874,10.611773220241947,1.6896534557728662,0.9525643582736946,2.1160430507487646,1.2633013242430975,9.45650677957859,0.21409091054951968,1.8001003865360752,4.79553736944634,0.7943530309341273,6.823053086450237,0.38946071320832704,1.9251183015790492,1.3460968786327703,0.5515706481714042,2.5647581601435996,0.46688714421257177,2.3674700751221853,0.49567686901422087,0.4828901393787399,0.001190787592326647,0.13184293347485443,0.5995333438721332,0.9785911875504225,0.07522934694696698,1.6386276751280362E-5,1.801206568747067E-29,5.809305598505926,9.186155723630224,6.905083413202281,35.265607165083665,15.073991109303538,1.7777897291143934,6.8931583965306285,8.219412377539975,25.1763808710333,1.307702132157451,3.7373932978976665,18.964443588368884,5.297465835685532,18.274966882821854,3.061072815431666,4.112662471310462,7.29180246463973,3.711895043961103,5.839851733120033,3.209123982691083,6.589574762387962,2.484168337434522,2.516306372422308,0.0037866223258756944,1.217696321021291,0.601075504534143,3.507615415849447,0.9132583171507878,1.9892374710365774E-4,2.186602639522076E-28,2.4562418599922524,8.798518135304343,1.6850090451692135,12.824853646250151,3.1302354590771277,0.8935261241923957,2.831041622131965,2.1004213229622093,10.969317562792632,0.3608536380095597,1.86908622982224,6.89481291127147,1.3633784248704013,8.282003204032028,0.7114804381147328,1.9472280905450194,1.9492943028265566,0.9397442089371105,2.9661231957834704,0.8157726000973446,2.607559152426633,0.7900311214223719,0.5991663812655532,0.0012269107580195765,0.21315634055650584,0.5998103692305862,1.4501705320189109,0.16340819393402084,3.5593182746683566E-5,3.9124613564781786E-29,7.4258772183473845,9.131183916028904,8.551932802445252,50.76189552798454,23.576170293678324,1.9002101600162358,8.58494904171709,12.257780530217108,32.33124541316655,1.9547091702523776,4.53205922406185,25.484988167599372,8.082389156412187,23.202188647465935,4.7706782868195,4.894423290514144,9.966647648665434,5.705609479375043,6.892808299518601,4.8990709990078205,8.232042583590337,3.558116959527868,3.2513004381541375,0.004758943950990817,1.8061984686973913,0.6017402949405071,4.536762624979603,1.4948690668991582,3.256088126780436E-4,3.5791457763082103E-28,3.952290660792855,9.05956159583612,7.248468430434091,24.482768348629573,8.584380840780913,2.8481116554236405,5.209884742721008,5.024481496556332,23.466728945259227,0.663065876124634,3.457184276393556,13.670137163793207,2.625009345748495,16.185811206914416,1.4533459503399908,4.085111395309974,7.328719787523807,1.8311457149251742,6.630611319196397,1.5754483132308297,6.038627498968136,1.3525240218759378,2.3465651017430904,0.004142280030884155,0.7795898382280166,0.9304896583327615,2.828165400546271,0.39737528153852847,8.655533535107508E-5,9.514305229971164E-29,19.273918139319036,0.782525974474737,0.47309178000000074,0.9388384734574384,0.038117080606352154,0.5255818244345065,0.604831334363751,0.5714143572294768,20.529535893793774,24.57088042018217,52.23574813574832,0.9082577101861578,1.7018275160277343,19.04392362791682,0.45482892411361053,0.08959273194879083,0.972206858304276,0.023219364245411933,0.5130064640188465,0.20408681823341981,0.020493017134589096,19.58834528397922,10.408673805317036,30.77304690101373,0.958310287456414,0.7375862993868554,18.56328481735207,0.5387795463362108,0.243932685934005,0.9595413857314995,0.0278496654865731,0.4875206258140541,0.2868330955524646,0.15191488854948063,19.345997049622287,14.661136039521539,36.44683028035581,0.9393120785972492,0.9262686099159994,19.43511232544305,0.7809398816188349,0.4539855537625083,0.9402552888547753,0.037781250845072875,0.5343751884813788,0.6027376151637462,0.526192205505668,20.670037760824393,24.35544997479502,51.91592353630139,0.9103829332821629,1.663305009150793,18.49978549124063,0.5930836165282232,0.31870097605630504,0.9530288076313683,0.03055309869150743,0.4842444783391858,0.34711221942150366,0.25931469649529565,19.411570083825158,17.05683570450255,39.96516730087494,0.9295432114470524,1.0906713942559851,19.426564404918206,0.8171012876396233,0.500074030032625,0.9365025142386543,0.039390259353754786,0.5339312247159723,0.6595744286284617,0.6384530209134982,20.743739722590455,25.996802275183324,54.67845250617057,0.9047537713579815,1.8319586742579324,19.433323485443516,0.787117990451212,0.45691866870666964,0.9398358083208855,0.038066657684864995,0.5342433311571356,0.6124198152702808,0.5330134268383646,20.677360144601398,24.53541572947759,52.20194937276012,0.9097537124813283,1.679676573265781 +UMLCN0125,L,propyl stearate ,CCCCCCCCCCCCCCCCCC(=O)OCCC,Esters,,C21H42O2,NREL (2014),Other Ignition Delay Method,PubChem,,80.5,0,-4.5501000000000005,20.703410010000006,73.9361,66.56930599999994,0,0,65,23,42,0,21,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3584.157230999997,3826.0079620000038,4405.992354000014,4242.624989000033,4030.1780239999994,3843.543631,3499.0283369999997,3259.987015999999,3063.230287,10632.153756763739,13773.94752702652,18377.90348643242,19296.714844481616,18417.67319698217,17676.34955314142,16802.64354720075,15736.30677695483,14729.508431999702,467.22975599999955,472.3120000000004,900.308160000001,1233.9888200000032,1163.0325680000033,1093.8853960000029,1071.5469000000028,1020.559280000003,957.6743800000025,78.52705000365783,103.77598101999989,151.23103724837617,167.7159503845246,158.85628955373255,152.90895247663835,147.08839184263817,139.13023645433591,130.10870759493966,10800.125434513458,9300.269754896799,19373.485508822127,28652.302921112692,26809.558468027677,25170.827917416646,24769.629414181996,23844.627341200456,22365.672186161875,154.52777777777777,133.25,235.33333333333331,284.41666666666663,279.25,265.33333333333326,253.58333333333331,226.33333333333331,214.08333333333334,55.14088047692303,59.78137440625006,35.53219640322592,24.52384386705221,24.877642123456788,25.12120020261438,23.326855579999997,22.638798722222216,22.69059471851852,163.57159625790368,215.21793010978936,148.2088990841324,111.54170430336194,113.68934072211216,115.53169642576091,112.017623648005,109.27990817329743,109.10746986666446,7.188150092307685,7.379875000000006,7.2605496774193625,7.132883352601175,7.179213382716069,7.1495777516340056,7.143646000000018,7.087217222222243,7.093884296296316,1.208108461594736,1.6214997034374983,1.2196051390998077,0.9694563606041885,0.980594379961312,0.9994049181479631,0.9805892789509212,0.9661821975995549,0.9637682044069604,166.15577591559168,145.31671492026248,156.23778636146875,165.6202480989173,165.49110165449184,164.515215146514,165.1308627612133,165.58768986944762,165.6716458234213,2.3773504273504273,2.08203125,1.8978494623655913,1.6440269749518301,1.7237654320987654,1.734204793028322,1.6905555555555554,1.571759259259259,1.5858024691358026,0.3293061546457148,-0.1633218836802428,0.021095864472574475,4.887938245829579E-4,-0.03377988644544108,0.02200624742586067,-0.016143680372202387,0.002066538402873646,1.0364012613854005E-4,1943.4695506153848,-20.953244852065644,-604.4213986508805,133.75053633136255,-63.88970104141822,-105.31165286390342,-218.76578449704039,9.143357159763344,8.050849798816547,3184.9045051865464,-155.49149142315764,-1368.8421370311905,146.5781643981339,88.19289406978936,-156.1581665177864,-212.50225155625787,6.808310905453631,6.662725336057896,2.3120599384615352,0.059862706745546876,0.8152958712425921,-0.013533436213013905,-0.35074150816568284,-0.16029222437869728,-0.30446902721893204,-0.03016355597632211,-0.0388670106508798,14.166855778402025,-1.0413780704192936,-6.279693927703558,0.2837719531278871,0.8499212078747918,-0.663892453405226,-0.48261722725307005,-0.026510823840633344,-0.026848915227517353,77.77425625124191,-6.240119947080325,-33.93869050996727,0.862514363407783,5.259993875899053,-3.6139572225302,-1.920066627887639,-0.26074957532606935,-0.2661890417566426,42.9376068376069,0.72596318211703,11.024155161078228,0.974608809993422,-4.732958579881675,-0.6890335305719937,-6.4521696252465635,-0.764339250493099,-0.9499013806706136,0.005066248533010996,-0.002551904432503794,1.7012793929495543E-4,2.8253978299592938E-6,-2.085178175644511E-4,1.4383168252196516E-4,-1.0762453581468258E-4,1.4350961131066987E-5,7.677046380632596E-7,29.899531547928998,-0.3273944508135257,-4.874366118152262,0.7731244874645234,-0.3943808706260384,-0.6883114566268197,-1.4584385633136026,0.06349553583168989,0.059635924435678125,48.998530849023794,-2.429554553486838,-11.03904949218702,0.8472726265788088,0.5444005806777121,-1.0206416112273622,-1.4166816770417192,0.04727993684342799,0.04935352100783627,0.035570152899408236,9.353547928991699E-4,0.006574966703569291,-7.822795498851968E-5,-0.002165071038059771,-0.0010476615972463874,-0.0020297935147928804,-2.094691387244591E-4,-2.8790378259910965E-4,0.21795162736003115,-0.016271532350301463,-0.050642692965351274,0.0016403003070976133,0.0052464272091036525,-0.0043391663621256595,-0.0032174481816871336,-1.8410294333773156E-4,-1.9888085353716558E-4,1.1965270192498756,-0.09750187417313008,-0.2736991170158651,0.004985632158426491,0.032469097999376875,-0.02362063544137386,-0.012800444185917593,-0.0018107609397643705,-0.001971770679678834,0.6605785667324139,0.011343174720578594,0.08890447710546959,0.005633576936378162,-0.029215793702973305,-0.004503487127921527,-0.04301446416831042,-0.005307911461757632,-0.007036306523486026,-0.5037069176286806,0.03358065404537985,5.576903327085871E-4,-0.04115822905366307,0.02839017501505842,-0.02124343784427778,0.0028326603082257113,1.5153315773219555E-4,-0.010949818738421097,-0.16302483235694332,0.02585741138536581,-0.013190202327880797,-0.023020810728203393,-0.04877797369419394,0.002123629787640868,0.001994543772034744,-0.04958423265736023,-0.22529347923106052,0.01729179654772627,0.011110549056157227,-0.02083004517772591,-0.028912737841198844,9.649256013227988E-4,0.0010072449143405193,0.02629605769602219,0.1848450503477784,-0.002199258327894934,-0.06086763372039905,-0.029453390324442965,-0.05706451475013618,-0.005888901836234276,-0.008093970903450891,-0.07465662242302396,-0.23235748949786614,0.007525983297147054,0.024071521156559913,-0.019908850485240256,-0.014762212242500385,-8.446963464678085E-4,-9.124999705032584E-4,-0.081487398616586,-0.22874461889498493,0.004166752675215035,0.027136117678088323,-0.019740996284548645,-0.010697998440471843,-0.0015133473048519785,-0.0016479115372714046,0.01717157548221432,0.13458577311286407,0.008528246631199287,-0.044227583476543514,-0.006817489023596784,-0.0651163485080718,-0.008035246266032353,-0.010651733007765422,1.6071016595805225,1.0004003955251233,0.9895307629998802,1.1619445046851318,0.9560226113521368,0.8881635909473394,0.7477703364275493,0.7812101794306788,1.3204438444571571,1.2877786135431666,0.9409658782897949,1.0102409843163136,1.0101413640776293,1.026688205456161,0.9370056933493811,0.9404090345608349,1.500625430459116,1.408249968303586,0.9523188415291451,0.9605592643727551,1.0154069416527027,1.0088378754276117,0.9705737503904704,0.9682580892912203,0.7502971575876637,0.7290240736407065,0.9380351650635381,1.2102320277718317,0.9774911793948846,1.0206572765454534,0.7288607659968814,0.7677258355720943,1.571629324819767,1.4351549660032155,0.9606149668979108,0.9459377539441121,1.0156296869119856,0.9945613119278037,0.9719937514184005,0.9694361642180955,1.583347112357792,1.433970103564319,0.9630293575559175,0.9448802156553289,1.0151599106756894,0.9902246921691089,0.9689989279120169,0.9669515699016883,0.5977665863805552,0.5165451244969803,0.7983982512486179,1.1899743364599926,1.1459095651318616,1.225550888787147,0.7124894665950052,0.7544682648689645,344.1876524382243,172.34382621911195,275.4438152131781,344.6441741773544,14.984529312058886,172.34382621911195,0.4999999999996305,0.12125222410199105,0.0052718358305213495,-4.852729534314218,210.59844830591163,9.156454274170072,12.304892432920584,344.2097533374996,172.35414224784833,275.45651846802036,344.6649339602012,14.9854319113131,172.35414224784833,0.49853115819709615,0.12113765853569602,0.0052668547189433056,-4.854903724253442,210.61265169274088,9.157071812727864,12.305047546542802,364.00225710898883,181.60213407643624,287.0420616634307,363.2736584968826,15.794506891168808,181.60213407643624,-0.7979889561163702,0.018346476007301105,7.976728698826567E-4,-9.196130862083049,263.6252572622478,11.461967707054253,12.821415813724546,344.23294920105775,172.3649694007479,275.46985163658417,344.68672231450114,14.986379231065268,172.3649694007479,0.49698960043804163,0.12101741672812721,0.005261626814266401,-4.857187848836306,210.6276118650527,9.157722255002291,12.305210913624764,385.3946521920274,191.61503183167451,300.0603703218309,383.4182887527993,16.67036038055649,191.61503183167451,-2.1645885286783937,0.0933023597818492,0.004056624338341269,-5.455392721789073,243.96149818188755,10.607021660082067,12.643123962563433,346.5049969646283,173.4256326681923,276.7785574704516,346.8211550431883,15.079180654051667,173.4256326681923,0.34626837175630953,0.10923834728584941,0.0047494933602543225,-5.092713156896699,212.36723470490105,9.233358030647873,12.32412913507538,355.10228728612003,177.67390992287156,286.84833074582014,355.97281868708603,15.477079073351568,177.67390992287156,1.1777777777775782,0.18575492110757252,0.008076300917720545,-3.8716523358845594,209.47498801572067,9.107608174596551,12.292589989563147,0,11.889999999999993,15.995925211933638,-0.31570548501899964,0.26152863404461135,4.27188719048886,7.637600929885051,22.0,64.0,63.0,63.0,21.0,1.0,1.0,0.0,0.0,1.0,48.788693999999985,3.5832151005071777,3.534134122936043,3.451004931797475,3.3365019679062615,3.222567758547003,3.1106724112457824,2.9407562474347455,2.7367265547558577,1.9560002994716557,1.9072752734151561,1.829983421190305,1.7628794551323959,1.7136518152657199,1.5918001888175974,1.4529381458170336,1.311009867365109,3.582482202604524,3.528508829270893,3.441913970815158,3.338739543102628,3.24910530157495,3.119512932715985,2.94372832653745,2.746065527740818,1.8990524817309085,1.852610915458203,1.7821948129948615,1.717056816307727,1.6455304278452714,1.5285693576168082,1.391705160564414,1.2515646117849046,3.707894085793322,3.666345788628637,3.593816935184305,3.500227174177232,3.404986658971494,3.2889090325306727,3.1358374166810057,2.9629103328112456,1.7255106919126408,1.670955557743412,1.5850387132812944,1.4956936221963972,1.4297780713264798,1.2979124617146147,1.1348976627575509,0.9617285099513412,3.601368086083071,3.54396579077942,3.452721804142094,3.3489198334198464,3.2726376545401408,3.1381389540423124,2.9600580602597666,2.764278797540794,1.8641639498310238,1.8229001154542521,1.7588218457007772,1.684805438126152,1.6020048007921062,1.4903854420236327,1.355434929827178,1.211804552893113,3.762071562062128,3.7149880837363507,3.6416284868302777,3.5593735435700142,3.4757407909882883,3.355354447606512,3.20544038992341,3.043372958247435,1.6719395097579834,1.6182704030329067,1.5338749821001534,1.4410204347487812,1.3626085608071687,1.2328385495355088,1.0667529663818414,0.8860489896510569,5.168613574552495,3.6135938141472668,3.5595770700937455,3.537034244917744,3.448967296235555,3.3115011766580067,3.146568842916988,3.022825390140996,1.8201401874338006,1.7589365997676676,1.6609745972226198,1.5366228937197408,1.4972722243280836,1.37258988028565,1.2033204763645613,1.0273077889834161,0,0,1,0,0,3,17,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4505237851453038,0.08333333333333333,0.08838834764831845,0.09196278254943947,17.012379111734035,11.308060412490448,7.985822843611274,5.3509536313038994,3.561043048445064,2.4528242655872448,1.5016827563099293,0.9993500601776564,0.7396686570319145,0.5140027460222931,0.3629919474368761,0.25480731577637616,0.1780521524222532,0.12909601397827605,0.08833427978293702,0.06245937876110352,16.044418642285585,10.464690378025045,6.920217648763319,4.451628086684584,2.9287242174370887,1.9581246384922568,1.266752080088574,0.833228985912795,0.697583419229808,0.4756677444556839,0.3145553476710599,0.21198228984212306,0.14643621087185443,0.10305919149959246,0.07451482824050436,0.05207681161954969,33.80798208833703,63.305899490167626,59.93333333333324,60.76000000000007,38.73012335329347,499.9023988023953,0.5201228013590312,0.9739369152333481,0.9220512820512806,0.9347692307692318,0.5958480515891303,7.690806135421466,7.201100000000009,100.79600000000008,176.85375677481733,280.8364292949742,353.70751354963465,15.37858754563629,176.85375677481733,0.07213907591663576,0.0031364815615928594,-6.047066650296598,220.77165582722196,9.598767644661825,12.413396552374584,697,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,18.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.38498202402296,-0.012459164556269275,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.560826700118047,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.30797027704398,0.0,22.486173530155998,0.0,0.0,0.0,0.0,0.0,0.0,-0.012459164556269275,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.313623911081493,5.071358112941467,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.071358112941467,-0.012459164556269275,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20700429191888103,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0286598532490285,0.0,0.5809259259259258,0.0,0.0,0.0,0.0,0.0,0.0,-0.012459164556269275,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.313623911081493,5.071358112941467,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.313623911081493,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2793104237949517,0.0,1.4451295078885482,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.313623911081493,5.071358112941467,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,43.16666666666667,1.8768115942028987,0.5559027777777779,11.313623911081493,0.07300342275364335,-0.012459164556269275,12.701135543420623,1.679125831222936,4.313623911081494,12.385904602133882,1.679125831222936,4.313623911081494,12.385904602133882,11.16666,0.48551,0.0,0.01449,0.46513,0.76667,0.42958,0.46513,0.76667,0.03555,0.0,-0.03555,0.0,0.63327,0.08102,0.0,0.1194,0.04478,0.0,13.25,0.57609,11.75,0.51087,1.5,0.06522,-10.25,-0.44565,0.0,0.0,29.85956,1.29824,33.91846,4.05891,0.17647,10.25049,0.44567,11.30805,1.05757,0.04598,0.10595,0.00461,0.10595,0.00461,0.0,22.02,2,2,2,2,0,0,0.9523809523809523,1.08827554171981,1.522716555232948,2.4898217924105914,3.133522344089907,3.5645795653089922,3.7898061755372,70.73791021178765,98.97657609014162,161.83841650668845,203.67895236584394,231.6976717450845,246.337401409918,0.1807055921369491,0.2528434998504721,0.4134290481269261,0.520314009601177,0.591890046568989,0.6292883950625774,4.934092271308645,4.499651257795506,3.532546020617863,2.8888454689385474,2.457788247719462,2.2325616374912545,0.1807055921369491,0.2528434998504721,0.4134290481269261,0.520314009601177,0.591890046568989,0.6292883950625774,9.201639544003168,14.537852156006977,18.200413438421133,20.549043226956474,22.12827219792939,22.631372483110326,85.92673832335481,69.89327972873565,61.52254178914424,53.60734437418421,47.02951425491919,43.4444296997854,23.0,20.045454545454547,19.954648526077097,23,3,18,3.55,3.1418999999999966,0.047619047619047616,4.304039093853334,0.24253562503633297,0.0,29.770586248136542,2.9648823054630955,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,10.842999999999998,22.0,21.0,20.0,19.0,17.0,16.0,15.0,14.0,13.0,202.0,3.1780538303479458,3.2188758248682006,3.1780538303479458,3.1354942159291497,3.091042453358316,2.9444389791664403,2.8903717578961645,2.833213344056216,2.772588722239781,2.70805020110221,5.37989735354046,1.0693069306930694,0.47619047619047616,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.0,0.8636363636363636,21.0,0.9545454545454546,2,11.0,21.0,0.9090909090909091,1.5,0.666666666666667,0.375,0.24000000000000007,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.06818181818181818,0.030303030303030318,0.017857142857142856,0.012000000000000004,0.00584795321637427,0.004801920768307323,0.00390625,0.0032921810699588472,0.0028571428571428576,0.0025429116338207248,0.17110325839566864,176.85375677481733,280.8364292949742,353.70751354963465,15.37858754563629,176.85375677481733,0.07213907591663576,0.0031364815615928594,-6.047066650296598,220.77165582722196,9.598767644661825,12.413396552374584,26.3,386.71613054432464,5.523561956057013,4.48863636973214,5.1647859739235145,5.860786223465865,6.54965074223381,7.25063551189868,7.944846711001996,8.648396877031582,9.345482965918476,10.050743086817882,110.30396446202397,3.8066624897703196,0.0,4.890349128221754,0.0,6.102558594613569,0.0,7.3758821482150125,0.0,8.685246776412487,9.006509131694346,326.3184805840012,5.020284316676941,44.64990992523806,1.9413004315320896,5.406957395297754,5.406957395297754,0.0,1956.0,21.0,9.810000000000002,88.0,1.2440156249999998,2.146337412309173,2.869030758727682,3.629452831861138,4.947312824285415,5.945628698889245,7.243641057123032,8.353731892798674,9.652993533858938,10.801356821739942,85.89332087348437,84.39023014430812,84.05858006422126,114.2652508419225,145.35060800651058,163.76265475348876,187.1269288039876,215.29339037071273,243.7749357344344,272.44202822742335,293.87552019292923,339.05365040297136,353.04339876813503,485.10885548340326,630.0232638129736,742.3091331146402,858.1261140627843,989.0836714736101,1121.1247780493147,1251.3425136075875,9.225452246437507,15.647347816259638,20.529774430849734,26.255293136377027,35.50222306156193,42.65528211335353,51.51521704360534,59.481449730069016,68.74279729660904,77.02398694055375,2.1563251771134375,2.7403513778668356,2.965776029002427,4.017711210118186,5.298801557565419,6.316301845126149,7.408241542035638,8.540654900829981,9.707687906013371,10.831881535774446,178.60217558063613,332.08283422543576,471.33467726588805,586.1573872645894,804.2092285592412,966.4840017175914,1187.5362276284668,1368.6308292804347,1587.3650382747303,1776.500798083655,2.663364583333333,4.201391524530875,4.831054414263998,6.511526644218956,8.771016997274007,10.282908303752269,11.647196390688437,13.562199340545382,15.743310425252856,17.820971118117996,0.4591135546874996,0.5979633265378084,0.6553289461263236,0.8862065007348939,1.1655034226411682,1.3871118987187185,1.6223679268062354,1.8738093057459382,2.136270568360501,2.389608868753161,858.4124091333807,1315.8553917388338,27.701154695993985,226.06965366956007,-346.5408578959624,-21.823771567286038,632.3427554638206,1662.3962496347963,49.52492626328002,0.7915413620717128,1.2133491524404632,0.025543211498028715,0.20845863792828698,-0.31954503424454667,-0.02012368144741882,930.9328601926109,1427.0215695833026,30.041405386734937,245.16848434871096,-375.8173444165142,-23.667488807430534,0.17055930136350067,0.20589761200656123,2.8643012516064172,1.9702133555738128,1028.643959482966,55.83810331997503,0.9485117317886692,0.05148826821133072,1517.2081278215142,38.95135591762518,11.490750288319243,1924.0636432565957,43.86414986360269,12.437692375783287,2736.231713529977,52.3090022226574,13.986776141640103,5.45805960250826,5.45805960250826,20367.460149237686,20264.50575213471,169.62228964026872,1.005080528405788,120.07537566219955,119.46841299637705,8.908919445923697,14.012359420451,27.063763141185934,0.9314208499167133,11.727049301883914,18.520787996300427,7.689096995888045,85.87290173803626,32.30007876385969,1.680285028323056,15.465370316130636,11.881584673701596,64.784283329549,1.7061299481403902,6.305839625707414,60.557939577171794,7.78976388431537,67.22303019464835,3.329658472615173,10.704889277630505,33.18227026877183,6.567468996241259,60.440362868051295,3.786381045131488,16.8360469405614,23.329803256789024,7.1542514589442785,47.84792168247484,3.637345432851312,18.466903552498405,14.993269389662451,7.334758969503916,31.89128538136843,3.9093116166486404,1.000677506087812,18.67112154763341,0.6182638343323871,18.665158592138827,0.30837844647085977,1.6889675998062423,2.29645807312514,0.6991039753045409,17.751762232998118,0.08847981137015695,3.8192511555917514,4.782694260712948,0.457216336245754,14.199702878059089,0.07666397783761114,3.9827417677287142,1.3723213241341112,0.5358406642190322,10.915425781560872,0.10656748285025663,4.022122699788783,0.5875470041110515,0.6969119825836433,7.570712735918396,0.1318983565570352,3.8056304732527986,0.30919699194995104,0.9186646861783894,4.634843760926685,0.15610966974238025,3.1828915353276983,18.39008242592574,1.7676576265273485,23.21765637678484,2.471260587558467,1.512890468228488,4.600498095531757,1.815007790330997,22.39365844440577,0.3170955128672833,3.8283411414720394,13.496236558901915,1.1759173116500166,21.980857501760095,0.3810923522063911,4.658557788098756,4.947697889422356,1.1204660575896683,18.49410918123073,0.48317650914195276,5.516949417536931,2.589090308245895,1.3187577986631467,13.559161432162542,0.5400141041000972,5.474171952706765,1.584865314000429,1.5864505453314242,8.554775636448987,0.6172545414466208,11.074493031181575,18.671282851314555,7.711590636598706,80.30599601687777,29.04537486707582,1.7682302673281933,14.93302118235767,11.676582281719034,62.138488258544314,1.5817818825798051,6.300071281429934,56.56426527520372,7.0670030717762895,63.62849468225862,3.0033059950409187,10.515348187299034,30.763822445416498,5.970436837662406,56.86085478679829,3.4286129479032494,16.305372451561148,21.456139567083746,6.514517680910902,44.763768850733804,3.3139892025234827,17.953777985773016,13.56925096134308,6.718563586373972,29.727444317991022,3.571657241774602,4.683414754937792,18.283335868031365,2.502196255436755,28.734230699908547,5.189672093090559,1.451440239161598,6.2259895681558,2.7012867217050878,26.85734362977241,0.5015021344606894,3.998714117155185,20.288903385725373,1.9000909121554008,28.140149217867393,0.6968387876530066,5.341257979647817,8.134682570113146,1.713811978739888,24.410585354373218,0.8529093534792207,6.859207824814151,4.632848850371452,1.9524224851238317,18.315224853881634,0.9114523501424788,6.952170110771736,2.950509639923737,2.2355072169577173,11.7248772329908,1.0243660629027882,14.162133407910991,18.616550027850913,9.93863622449745,116.65955871813433,47.09032365119916,1.7830266442448843,19.041140335847892,16.642460861226656,82.86719292584517,2.249390609274661,7.305798180435653,77.30190699562637,10.783043080930586,84.13021443944469,4.682428215262757,12.873654022197828,45.4871609925994,9.040036383964978,75.82748652160261,5.261470613658309,21.069935584365272,33.11825942359118,9.807274743518638,60.71250195605313,4.95807145349401,23.48163826711184,21.289762697950835,9.883570032716953,40.83841839535516,5.281990284327542,7.6708967902802385,18.494111961918236,5.970339914182376,55.72571251939607,15.150470167011688,1.9625570036657025,11.279912500520568,11.738627476321515,53.07970070134766,1.0271543942164625,5.8876049999189455,37.26951244083142,3.7532029293222315,46.31437051094449,1.5190542581167352,8.89328510767607,20.265976876129937,3.23549355589607,39.3666476172955,1.7795284612338436,12.643594718214805,13.666187789574856,3.5892607249277164,29.88426880616839,1.7888400018373227,13.875079066921355,7.280710055943375,3.8718821552973735,19.51705022709243,1.9611558863349239,64.07172113781239,0.8209135993012386,0.5088481892307692,0.9796677119687087,0.012551911096966366,0.5423602520134301,0.6647055300277166,0.615375983253666,65.4014829263444,85.6178468930608,177.78339470691276,0.9695015679530632,1.8224417652948126,62.65261588294479,0.41965712968265834,0.10209218182720148,0.9917411230029161,0.006642838885534147,0.5186045569703812,0.1725089461789865,0.024771314116672792,63.17436519445465,32.7318029132068,98.59043873788544,0.9876116845043742,0.7158848172660405,62.59583014731465,0.5486406382321718,0.2650413480344717,0.9871678245284004,0.008652339684878526,0.51765875974531,0.29684139847443297,0.16695188981918443,63.409512133581295,51.078511860619976,123.59023728759414,0.9807517367926005,0.9814520480389273,64.20533339567335,0.8152987123642532,0.4931645723121519,0.9800276682015459,0.012444687282317044,0.5446216047051309,0.6554990964275568,0.5780265897030118,65.51379668034976,84.4123978694362,175.74164648123855,0.9700415023023189,1.7781472908356992,62.7538479720169,0.6176904622136297,0.3409787156917527,0.9849532051033311,0.009694962463343565,0.5202808941186744,0.3763150748177261,0.27632400648952776,63.712517149922284,60.37079914623343,137.30048785974594,0.9774298076549965,1.1729199754259283,64.32367276962037,0.8580091124168945,0.5387522331502977,0.9787469245391913,0.013055438905243235,0.5466334742075879,0.726128310616255,0.6898302623024665,65.72043411518756,90.30707405489663,185.76140413203427,0.968120386808787,1.9625920471263094,64.28770741812531,0.8217753783304786,0.4959068389406566,0.9799150309967797,0.012526034566634167,0.5460187178564134,0.6656966641356333,0.584472754490503,65.60538963539643,85.1182928841805,176.9224681381024,0.9698725464951696,1.7961881364825496 +UMLCN0126,L,2-butyl stearate,CCCCCCCCCCCCCCCCCC(=O)OC(C)CC,Esters,,C22H44O2,NREL (2014),Other Ignition Delay Method,UML,,98,0,-4.5608,20.800896640000005,78.52050000000001,69.66289199999994,0,0,68,24,44,0,22,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3730.453479999997,3994.4862590000043,4764.646864000013,4616.871535000035,4450.384038000033,4091.7295280000003,3695.7850660000004,3456.7437449999998,3259.9870160000005,11117.83814737493,14426.937661516888,19428.51359760552,20765.083133399174,20073.050134438803,19022.44002326569,17809.44189215582,16743.10512190994,15736.306776954832,488.2071999999995,494.08778000000046,943.2012160000008,1305.5547160000033,1248.232248000003,1205.3391920000029,1134.4318000000028,1083.444180000003,1020.5592800000028,82.20517581335578,108.79196963999988,159.0543680020742,178.68330017737358,172.6919547622795,164.86862400858158,156.10992070203443,148.15176531373214,139.13023645433591,11296.755094651957,9733.309206412596,20297.64186381816,30105.72975854408,28684.24521361245,27760.08885861641,26248.584569220577,25323.582496239032,23844.627341200456,160.05555555555554,139.41666666666669,247.3888888888889,306.1666666666667,307.16666666666663,302.75,267.0,239.75,227.50000000000003,54.859609999999954,59.619197895522454,36.65112972307702,25.36742601648371,25.57691975862088,24.35553290476191,23.243931232704405,22.593096372549017,22.638798722222226,163.4976198143372,215.32742778383414,149.45010459696553,114.09386337032512,115.36235709447588,113.22880966229579,112.00906850412466,109.4320596203264,109.27990817329744,7.179517647058816,7.374444477611947,7.255393969230775,7.173377560439579,7.173748551724155,7.174638047619065,7.134791194968571,7.08133450980394,7.087217222222241,1.2088996443140556,1.6237607408955206,1.223495138477494,0.9817763746009538,0.9924824986337902,0.981360857193938,0.981823400641726,0.9683121915930205,0.9661821975995549,166.12875139194054,145.27327173750143,156.1357066447551,165.41609757441802,164.85198398627844,165.238624158431,165.08543754226778,165.51361108652964,165.58768986944762,2.35375816993464,2.0808457711442787,1.9029914529914531,1.6822344322344323,1.765325670498084,1.8020833333333333,1.679245283018868,1.5669934640522876,1.5798611111111114,0.32890876709767236,-0.17305751256685667,0.055152442132330684,-0.04530438447191343,9.238793250064335E-4,0.006674018970790592,-0.013961099643004841,0.002180280754614567,1.066635150988684E-4,2024.5283261176514,-21.106973968852884,-480.7115324013798,31.123169214533547,-69.97390471280181,-187.90117111418587,-217.9414013633216,9.00105088235139,8.002814809686722,3335.035835038237,-155.6352833439583,-1307.4733056549871,154.2309653543255,-80.3252061497873,-138.78615023762083,-212.4540488673362,6.542734917017164,6.409711770240342,2.3306437647058766,0.06091017301036221,0.973767861591679,-0.2540168996539851,-0.21924657439446926,-0.3710354186851267,-0.29676550865051676,-0.026752941176458156,-0.03470538408303441,14.837913026831517,-1.0407784301547445,-6.476996053614375,0.8287065846000103,-0.3376291504729263,-0.14975589309755533,-0.4820385036616186,-0.025260434773602514,-0.025569352617369256,81.42059787353165,-6.234129318107801,-35.78194783967447,4.621287510917782,-1.8965813125920334,-0.14163758432541584,-1.9125841065027416,-0.24794604509847318,-0.2529161458054716,43.57026143790853,-0.1590974625144158,13.30195117262593,-1.355536332179932,-0.09890426758939536,-5.631920415224891,-6.409385813148758,-0.7463235294117689,-0.9282006920415271,0.0048368936337893,-0.0025829479487590548,4.2424955486408217E-4,-2.4892518940611774E-4,5.309651293140422E-6,3.9726303397563046E-5,-8.780565813210592E-5,1.4250201010552727E-5,7.407188548532528E-7,29.77247538408311,-0.3150294622216848,-3.6977810184721527,0.17100642425567883,-0.4021488776597805,-1.118459351870154,-1.3707006375051674,0.05883039792386529,0.05557510284504668,49.04464463291525,-2.322914676775497,-10.057486966576825,0.847422886562228,-0.4616391158033753,-0.8261080371286954,-1.3361889865870202,0.042762973313837674,0.04451188729333571,0.03427417301038054,9.091070598561524E-4,0.007490522012243685,-0.001395697250846072,-0.0012600377838762602,-0.00220854415884004,-0.001866449739940357,-1.7485582468273304E-4,-2.4100961168773896E-4,0.2182046033357576,-0.015534006420220067,-0.04982304656626442,0.004553332882417639,-0.0019403974165110706,-8.914041255806864E-4,-0.003031688702274331,-1.6510088087321904E-4,-1.7756494873173094E-4,1.197361733434289,-0.09304670624041493,-0.27524575261288053,0.02539168962042737,-0.01089989260110364,-8.430808590798563E-4,-0.012028830858507809,-0.0016205623862645306,-0.0017563621236491083,0.6407391387927724,-0.002374588992752475,0.10232270132789177,-0.007448001825164462,-5.684153309735365E-4,-0.033523335804910064,-0.04031060259841986,-0.004877931564782803,-0.006445838139177272,-0.5340096649459567,0.08771116071281441,-0.05146385433559881,0.0010977399329289688,0.008213185239395232,-0.01815331590480264,0.0029461472774601604,1.531393722778563E-4,-0.010581231763822538,-0.12420132927371742,0.005743775821445532,-0.013507404825155264,-0.03756689148085087,-0.04603918954746934,0.0019759995487414884,0.001866660468372009,-0.04736326859256154,-0.2050679955345616,0.017278601831146687,-0.009412630456568875,-0.016844000875363075,-0.027244340265649838,8.719193223624303E-4,9.075789543689041E-4,0.026524551287665298,0.21854712613999605,-0.040721544190821475,-0.036763477370982386,-0.06443756230591306,-0.05445644857353873,-0.005101678883098794,-0.0070318140605389635,-0.0711900949051815,-0.22833178496055964,0.020867263168647714,-0.008892559491631468,-0.004085175619366094,-0.013893788929875991,-7.56633353968127E-4,-8.137543663939423E-4,-0.07770977110946842,-0.2298768575336185,0.02120636471953934,-0.009103257851610492,-7.041154193743276E-4,-0.01004611265135938,-0.0013534442775421025,-0.0014668600762874615,-0.0037060152080400123,0.15969478861659633,-0.011624078153236229,-8.87124410792975E-4,-0.05231978784388285,-0.06291265845624751,-0.007612975810988225,-0.010060003750234433,1.64576475049904,0.9531690331770318,1.2055797946934497,1.219180457574779,1.0665088903290518,0.883622425518002,0.7451974744444796,0.7757968319413727,1.327375062789729,1.254084342928802,0.9931880602497007,1.01748048223117,1.0386142799914486,1.0237749182982163,0.9386352600590495,0.9416531023633231,1.5005764120818161,1.3913154740016944,0.9560906227481469,0.9952314741114608,0.9933234189164194,1.0083843851105958,0.9723723181229302,0.9703296017176222,0.7544902514185439,0.6964907728521659,1.1988401586597455,1.1607908340645294,1.2221169094545672,1.0085575605904518,0.7213280598934422,0.7569419822225576,1.5683789374284647,1.4334760566515368,0.9508168647929799,0.9942953792155114,0.9793508266267524,0.9949867656841549,0.9737917561350843,0.9715361240279528,1.579582563854358,1.4372758154977494,0.9524788873116626,0.9962701110204191,0.9780712238725304,0.9907533629077485,0.9707973915681584,0.9689909141460654,0.6324395274704664,0.49253876444200806,0.8743701357708477,1.12569201523371,1.5823682060485909,1.2048901641258232,0.7043815238452399,0.7430659728733041,365.5833656731873,183.0416828365935,293.1752098070369,366.0416990065204,15.251737458605017,183.0416828365935,0.4999999999997158,0.1700119339992997,0.007083830583304154,-4.252527946559758,271.93747820639,11.330728258599583,13.453373232813396,365.60914674506813,183.0538389516326,293.19073448819773,366.06613364008206,15.252755568336756,183.0538389516326,0.4985311581970677,0.16988501383835952,0.00707854224326498,-4.254320303933673,272.12929532690276,11.338720638620948,13.455065529166344,388.6388473734943,193.9204292086889,307.35377446198254,387.90735749705425,16.162806562377256,193.9204292086889,-0.7979889561165123,0.05676765362891001,0.0023653189012045835,-6.8850926252008415,250.73349342341052,10.447228892642105,13.258537430052806,365.63620494124706,183.0665972708424,293.2070289951403,366.09177874164834,15.253824114235346,183.0665972708424,0.4969896004377574,0.1697518070554241,0.00707299196064267,-4.256202881297317,272.3315458928644,11.347147745536018,13.456848582579504,413.41807326465334,205.62674236798756,323.2807661604408,411.43386711336495,17.14307779639021,205.62674236798756,-2.1645885286782516,0.06384751955895557,0.002660313314956482,-6.603018108478491,242.12605756726236,10.088585731969266,13.174700374977965,368.28573462678605,184.31600149927118,294.8064387848977,368.6031473008959,15.358464470870665,184.31600149927118,0.34626837175633796,0.15671145476831128,0.0065296439486796365,-4.448037677526271,298.3195174389056,12.429979893287735,13.67559628385698,383.49965565892643,191.86882640984035,310.0805355420947,384.3140631264589,16.013085963602453,191.86882640984035,1.085876623376521,0.23389352637708627,0.009745563599045262,-3.4869342783790334,224.99689135738598,9.374870473224416,12.998607806206994,0,11.890000000000002,15.995925717758162,-0.3126601620103616,0.2617870232623972,4.429074050688636,7.640572675039144,23.0,67.0,66.0,66.0,22.0,1.0,1.0,0.0,0.0,1.0,50.975107999999985,3.6008490569747207,3.539988001864617,3.4623354145760334,3.361265958565067,3.256271617315123,3.119925780222031,2.940953947236872,2.74574820432483,1.956056835899742,1.9077042413515612,1.8358150934948883,1.802441131943564,1.716801160150708,1.5918591186399496,1.457063900524462,1.4240866973538868,3.5835380096898093,3.533944525360657,3.4617891200884623,3.3831641402125916,3.274346158693986,3.1235190482087476,2.9437342986602433,2.768438477701354,1.8994140928063765,1.8552126430934746,1.7986010647551565,1.7452543963274005,1.652138531806914,1.5290846043586814,1.3946026420508033,1.3308229497545458,3.712010889790519,3.6759152200298946,3.6105432314333736,3.5257969191731102,3.42365037646707,3.2928381595100293,3.13592844240369,2.993823219318816,1.725781080510567,1.6727996515117327,1.5987349405201408,1.5431109645139527,1.4427413645574974,1.2990378758454026,1.1355427736684653,1.0239921541638761,3.601821312641095,3.5467863821497714,3.4688721895835926,3.401597090340985,3.2950543409618107,3.140694808178058,2.9601373297045046,2.7966037443225917,1.8656664857441254,1.829702239395436,1.775847604369165,1.7060396469625898,1.6116286536704822,1.4917574714755997,1.3569468679897918,1.270445967067386,3.763154896331974,3.7207002733387586,3.6606021771870836,3.589451606913647,3.489102003879422,3.3573440857407726,3.2060368767881213,3.092930256600719,1.6725188957489432,1.6218262351906607,1.5518033363194317,1.4845084268041495,1.3800438071128536,1.2350406239727918,1.0669990273151495,0.9284090471922454,5.137632570353784,3.616176548498109,3.6039589461388912,3.54413640977897,3.443061289070093,3.304575836483133,3.138834552565714,3.06122383701956,1.82729878279313,1.7662316182859183,1.669170221452751,1.588748442265681,1.5318300396573943,1.3802052465970216,1.210392797521204,1.0509202740743238,0,0,1,0,0,3,18,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5773502691896258,0.0,0.0,0.0,0.22559223176554563,0.0,0.0,0.0,0.8261326131600778,0.9978909578906802,0.9901332600736642,0.3256873575386553,0.28787558515809775,0.26163573049155936,17.88262259973711,11.7019072626078,8.592716584805105,5.802138094834991,3.835524144177419,2.469274001554824,1.5398009132609813,1.0263036674440786,0.7451092749890463,0.5087785766351217,0.35802985770021273,0.25226687368847783,0.17434200655351903,0.12346370007774118,0.08554449518116564,0.06037080396729874,16.914662130288665,10.897316063479238,7.408472574421646,4.891999507549264,3.0073089210259325,1.977432269964001,1.2858111585640999,0.8467057895460062,0.7047775887620277,0.4737963505860538,0.3086863572675686,0.21269563076301148,0.13669586004663328,0.09887161349820005,0.07143395325356111,0.049806222914470955,35.34980989212292,66.19373634377287,62.658823529411656,63.52000000000008,40.52867784431144,522.9306538922156,0.5198501454723958,0.9734372991731304,0.9214532871972302,0.9341176470588247,0.5960099682986977,7.690156674885523,7.58960000000001,105.39100000000009,188.15008837746007,299.4975708888763,376.30017675492024,15.679174031455009,188.15008837746007,0.11770089491754315,0.004904203954897632,-5.135060787281316,555.7770896942394,23.157378737259975,15.168881510509038,736,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,17.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.80373202402296,-0.014773979371084156,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.937562811229157,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.289570417519011,0.0,21.843841337740542,0.0,0.0,0.0,0.0776302000885698,0.0,0.0,-0.014773979371084156,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.52404057774816,5.2796914462748,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.2796914462748,-0.014773979371084156,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20700429191888103,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.962664955289845,0.0,0.5997976739715494,0.0,0.0,0.0,0.0776302000885698,0.0,0.0,-0.014773979371084156,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.52404057774816,5.2796914462748,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.52404057774816,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2797270904616185,0.0,1.443917123629289,0.0,0.0,0.0,0.0776302000885698,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.52404057774816,5.2796914462748,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,45.00000000000001,1.8750000000000002,0.5559027777777779,11.52404057774816,-0.038107688357467806,-0.014773979371084156,13.28090191128812,1.681440646037751,4.52404057774816,13.261274972504248,1.681440646037751,4.52404057774816,13.261274972504248,11.66666,0.48611,0.0,0.01389,0.46373,0.76389,0.42973,0.46373,0.76389,0.034,0.0,-0.034,0.0,0.63636,0.07793,0.0,0.15714,0.08571,0.0,13.75,0.57292,12.25,0.51042,1.5,0.0625,-10.75,-0.44792,0.0,0.0,32.46236,1.3526,36.72198,4.25962,0.17748,10.66959,0.44457,11.70189,1.03231,0.04301,0.21211,0.00884,0.21211,0.00884,0.0,23.02,2,2,2,2,0,0,0.9545454545454546,1.0827203878670804,1.5437881541590959,2.5487122331795304,3.256141620909617,3.62619995042384,3.9017822318200666,73.62498637496147,104.97759448281852,173.31243185620806,221.41763022185395,246.5815966288211,265.32119176376455,0.17786069765063142,0.2536012447908443,0.4186821833077564,0.5348930590335758,0.595683299428409,0.6409537657265858,5.00474245338326,4.543674687091244,3.5387506080708095,2.831321220340723,2.4612628908265,2.1856806094302734,0.17786069765063142,0.2536012447908443,0.4186821833077564,0.5348930590335758,0.595683299428409,0.6409537657265858,9.123484061109917,14.773794745437634,18.80121404148209,20.815776835744884,22.606323034915572,23.025964359627814,89.80102835834022,71.65176656074203,62.82254747774049,54.36689328877243,47.469982424987975,43.83411656662239,24.0,19.32638888888889,19.21361058601134,24,3,18,3.6599999999999997,3.2827999999999973,0.2777566121439121,5.7779708445260605,1.3487008246299763,0.0,28.040225305267555,4.673308489797757,0.0,0.4999999999999999,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.442,0.426,0.519,0.065,11.114,24.0,23.0,22.0,20.0,18.0,17.0,16.0,15.0,14.0,216.0,3.2188758248682006,3.295836866004329,3.258096538021482,3.258096538021482,3.1354942159291497,2.995732273553991,2.9444389791664403,2.8903717578961645,2.833213344056216,2.772588722239781,5.44673737166631,1.0694444444444444,0.47619047619047616,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.0,0.8260869565217391,22.0,0.9565217391304348,2,11.0,21.0,0.9090909090909091,2.5,0.8888888888888893,0.625,0.32000000000000006,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407406,0.060000000000000026,0.049586776859504134,0.10869565217391304,0.037037037037037056,0.02717391304347826,0.014545454545454549,0.008333333333333335,0.006802721088435373,0.0055147058823529415,0.0046296296296296285,0.004000000000000002,0.0035419126328217238,0.2455909283615382,188.15008837746007,299.4975708888763,376.30017675492024,15.679174031455009,188.15008837746007,0.11770089491754315,0.004904203954897632,-5.135060787281316,555.7770896942394,23.157378737259975,15.168881510509038,26.3,404.0121151701916,5.584962500721157,4.553876891600541,5.241747015059643,5.958424693029782,6.658011045870748,7.380879035564116,8.085486772102845,8.812396905266864,9.520101889570842,10.250228315491283,113.46115256355667,3.8501476017100584,0.0,4.962844630259907,0.0,6.208590026096629,0.0,7.516977224604321,0.0,8.863191340690854,9.170871628065816,340.33413064800123,5.004913686000018,46.47634403051707,1.9365143346048779,5.409047774025806,5.409047774025806,0.0,2175.0,23.0,10.270000000000003,94.0,1.2442686567164176,2.1468600792294916,2.8729890667637537,3.614759691794908,4.83013919580219,5.886939363859523,7.146743994273833,8.270939423072758,9.53826051682068,10.696413238363835,85.72891298617911,87.189467496482,85.83155440180309,114.25725102590918,138.8167158189648,161.78630069942858,185.15441643984977,213.1147066811536,241.26577408523906,269.6467846239613,294.156018533619,342.4196360672865,359.32477380692393,483.60079826659825,606.5527199239492,734.5047526199749,850.5589577274891,981.1133798454832,1112.6194370408023,1242.5999083028196,9.22025370853732,15.647768949378355,20.671423450709202,26.115010733343574,34.720233279807864,42.18794924096876,50.80225205575066,58.84380576852833,67.87425445739706,76.19396504212001,2.1601650099898517,2.751560658683477,2.9978835785665865,4.008895454189128,5.111792305267383,6.255333259451047,7.342128976617762,8.475703896926662,9.636381716621472,10.763695171294398,178.57459451783131,331.8966860543688,471.45376589903964,582.8773444436091,787.4775341676861,957.0492533741158,1170.4946197739093,1354.5432846634542,1566.9865982900335,1758.1234619123973,2.658822139303482,4.22482410888528,4.944009590779361,6.5793199535891675,8.740772503606628,10.124532143271619,11.483400854928206,13.387427758698824,15.516730171107287,17.566491577671542,0.4593163432835817,0.6015882937619842,0.6645497307076853,0.8840643960067528,1.1275336599082568,1.3717609957086114,1.6055183041467282,1.8566100398860594,2.1164954326083274,2.369392147913973,870.1226302997895,1361.7814101628721,25.760437201745578,223.9385493842589,-350.47399406823365,-19.69546760011085,646.1840809155307,1712.2554042311058,45.45590480185643,0.7953144179295986,1.244703162355269,0.02354570080732127,0.20468558207040072,-0.3203422263546962,-0.01800216291907793,951.9673913755755,1489.8721760745998,28.183494314118633,245.00247351607698,-383.43999139887217,-21.548046517006245,0.1672179040012962,0.19971890307791434,1.6722912706637536,1.6722036772243123,1053.5311656108522,40.53001407319667,0.9629545268346862,0.037045473165313494,1579.289696967664,39.74027801824823,11.645387226168129,2005.519284566321,44.78302451338365,12.61078962539855,2949.051602367366,54.30517104629509,14.340384323876874,5.458059602508257,5.458059602508257,21724.522105270225,21617.070356831347,211.6510284346332,1.004970689675575,102.64312092383562,102.13543735984074,9.248295997358918,14.012359420451,27.063763141185934,0.9314208499167133,12.284850408756038,19.46928200231644,7.1858196989225895,87.36075401940438,34.498956145441056,5.571553693601952,17.623851384421734,12.034740922280733,67.5349801500973,4.020578794239947,7.057676621525092,61.25309032547492,8.301450677450854,70.35843612069431,3.847778015676326,11.052889841051261,36.076668793724274,7.051880846774552,62.77249337022872,4.908233478987892,15.848330067749727,25.906873837714745,8.75616803976615,48.32434031570718,4.9814355724067685,17.124626030773232,16.93449894544804,9.035666603752045,32.34673482076983,4.909093074769347,1.047489887716455,19.619596585874266,0.5370597670097043,20.119353225070476,1.322947163867241,1.8876924876080656,3.0765996917930956,0.7452675069741816,18.404361251934574,0.17023779867370425,3.8559615291595963,4.92947620943411,0.46464608052436956,14.422406291168897,0.08947879778643707,3.9697974462502033,1.5751580973553865,0.5654679478914026,10.99644446874199,0.11500988328528458,4.217212290975372,0.6373450098700922,0.7853844815785821,7.590603578894492,0.1441641434043961,4.434897869338086,0.3274887686629009,1.0269637711650903,4.6552439570057,0.17241665344125742,3.334007609671587,19.33855881037834,1.6866041976526784,24.58556626664242,3.6127477487457753,2.2382928447936496,5.714875528883494,1.9420802226490241,23.329775766092215,0.6551350023464225,3.9641228741744574,13.868198295596608,1.223262979708716,22.64701222915968,0.44266775266475894,4.592815004811966,5.62879994313509,1.222362607712866,18.822361237345707,0.5669043263387316,5.482219533804443,2.859540810972092,1.627831550120397,13.635239547343753,0.6458545306687644,5.8501229903735315,1.739209062387689,1.9339976374700938,8.632110886666576,0.714437554168705,11.601011774449145,19.619774802693147,6.903878942337106,81.68797295082447,31.323417331493555,5.353921853679137,17.02638585520353,11.844085311998272,64.70953392093821,3.6889852543591037,6.991536636184155,57.26590797087155,7.525527453476029,66.53213522007566,3.471252281379353,10.796509295306196,33.46827856443196,6.41973296282256,58.980080964783575,4.42853584996961,15.394175690292322,23.774054083615425,7.9925358580047625,45.19914988233739,4.513476768136522,16.784950036793337,15.302032370683872,8.291606455102855,30.144986592601043,4.468824326909822,4.906132044432349,19.23181392649398,2.4870995111954537,30.144999164182114,6.403625861037021,2.605602946804794,7.553965405775618,2.8663616484078056,28.031066111533985,1.0746941393456142,4.216431178221491,20.781818898423484,1.9935476795784797,29.155582118237085,0.8080342026511675,5.276823755465484,9.165221640965807,1.87142438601346,24.97158169859858,1.033445833226751,6.663264884874979,5.142426625591224,2.4391575866406003,18.440859771338072,1.1344635897932434,7.10995119143385,3.2743972699305735,2.7727774519939823,11.850758813958059,1.2126604354930255,14.835759026867358,19.565052655702473,9.099075535402383,118.00809149648798,49.80367731434175,6.900079412626395,21.42167143580179,16.7187706886502,86.34119895559485,5.4112937208733385,8.300003274917218,77.92753280650113,11.516877424193758,88.1844338152325,5.408161029563124,13.519932943768401,49.11340590506532,9.662725199551508,79.03316822352305,6.895822030320489,19.794233098175813,36.77345005107062,11.90340933377045,61.355726271115174,6.909170225082646,21.43725797194216,24.10579592185564,12.092382120652482,41.44702151369456,6.709856281359342,8.039318356097183,19.03879197729956,4.679715527784869,55.74157152785781,17.57081425268126,4.1640832779722725,13.21216164095661,11.735764839767171,54.04259832841828,2.1249321659932074,6.078286144694922,37.37894697494981,3.916894598620528,47.483414947310855,1.7296177495454965,8.662084436998072,21.800914341903585,3.458006168997085,39.90189543424341,2.2086059821157162,11.872637730672238,14.61431912687865,4.393442030451859,29.65097340152369,2.3141102647648037,13.367459708994772,7.96653994218671,4.747419228642252,19.436140995962454,2.3607544053843568,66.17029438124533,0.9109184329457924,0.5716988031245022,0.9780849456346115,0.01346458579785123,0.5636533709744004,0.5271652238993793,0.49869016248502784,67.65291161731562,98.62598994333884,200.73847047080383,0.9671274184519173,1.5895087573588076,63.917257459785986,0.46910497199553225,0.15377215941845435,0.9903489954683343,0.007268422586455135,0.5259273915096451,0.14675107033880205,0.037105319393302444,64.54013459119997,39.88473325893842,109.03555740386861,0.9855234932025014,0.7097837812417496,64.5122585824332,0.6226412407043729,0.3199799175898263,0.9855989169634412,0.009512525928864438,0.5357612062545796,0.24803158946317283,0.15712566654080998,65.45487974072739,61.009852602036695,139.31768334446875,0.9783983754451615,0.9409184622585623,66.17732894396042,0.9009096463629184,0.5566012365545946,0.9784502944540381,0.01332020078215516,0.5637718216975226,0.5197059448235721,0.47621476025147497,67.63483982687794,96.95562456142399,197.77491546081896,0.9676754416810572,1.5596925267725699,64.87962876415483,0.7012972367876116,0.3970982126394966,0.9833521015138099,0.010629254894287146,0.541882168478088,0.3104165488111112,0.23897801946004044,65.97802421358193,71.54197287432515,155.58792779092752,0.9750281522707148,1.0912767367492395,66.40885816266538,0.9488985911330312,0.6028926516027538,0.9771663270390636,0.013962470921556815,0.5677246911509825,0.572944311610172,0.5554960552628927,67.96064940540117,103.62476852461731,209.5768623270045,0.9657494905585955,1.696165058024047,66.2845040647624,0.9064444424563258,0.5600381631906683,0.9783548155131521,0.013379058918594618,0.5655989662680464,0.5269667760756246,0.4824878816940282,67.75098667040939,97.71271571549917,199.11259873836946,0.9675322232697281,1.575053624037699 +UMLCN0127,L,isopropyl stearate,CCCCCCCCCCCCCCCCCC(=O)OC(C)C,Esters,,C21H42O2,NREL (2014),Other Ignition Delay Method,PubChem,,97,0,-4.2728,18.256819840000002,75.6089,66.56930599999994,0,0,65,23,42,0,21,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3584.157230999997,3826.0079620000038,4570.9383270000135,4255.168833000031,4197.203501000032,3738.0696580000003,3456.7437449999993,3259.987015999999,3063.230287,10632.153756763739,13773.94752702652,18514.966485943187,19621.221788933282,18829.809258960468,17868.98031744663,16743.10512190994,15736.30677695483,14729.508431999702,467.22975599999955,472.3120000000004,900.471708000001,1242.5062680000033,1176.690068000003,1122.5345200000027,1083.444180000003,1020.559280000003,957.6743800000025,78.52705000365783,103.77598101999989,151.36667785722514,169.52613070912852,162.73102925427952,155.04654723094043,148.15176531373217,139.13023645433591,130.10870759493966,10800.125434513458,9300.269754896797,19373.439664852325,28626.8204474753,27236.285288869512,25694.631487163544,25323.582496239032,23844.627341200456,22365.672186161875,155.80555555555554,134.08333333333334,239.8055555555556,292.0,287.24999999999994,282.0,239.75,227.5,215.25000000000003,55.14088047692303,59.78137440625006,36.86240586290334,24.596351635838328,25.437596975757767,23.961984987179488,22.593096372549017,22.638798722222216,22.69059471851852,163.57159625790368,215.21793010978936,149.31424585438054,113.41746698805366,114.12005611491192,114.54474562465788,109.4320596203264,109.27990817329743,109.10746986666446,7.188150092307685,7.379875000000006,7.261868612903234,7.182117156069383,7.131454957575776,7.19573410256412,7.08133450980394,7.087217222222243,7.093884296296316,1.208108461594736,1.6214997034374983,1.220699014977622,0.9799198306886042,0.9862486621471486,0.9938881232752592,0.9683121915930207,0.9661821975995549,0.9637682044069604,166.15577591559168,145.31671492026246,156.23741665203488,165.47295056344103,165.06839569011825,164.70917619976632,165.51361108652964,165.58768986944762,165.6716458234213,2.397008547008547,2.0950520833333335,1.9339157706093193,1.6878612716763006,1.7409090909090905,1.8076923076923077,1.5669934640522876,1.5798611111111112,1.5944444444444446,0.3240903188888728,-0.1716769612892787,0.06746748809321927,-0.08029690285469572,0.05090699870578007,-0.036078784257449786,0.004568942441189789,2.294524854866498E-4,5.972942997470613E-6,1943.4695506153848,-20.95324485206566,-439.47542565088065,-134.93334951479073,153.30234343787149,-446.67492615384435,10.235864520710255,9.143357159763344,8.050849798816547,3184.9045051865464,-155.49149142315764,-1231.7791375204242,17.14328276828767,136.90886122734108,-431.8128140179696,6.9538964748493655,6.808310905453631,6.662725336057896,2.3120599384615352,0.059862706745546876,0.978843871242592,-0.4286842054437891,0.04503806390532886,-0.5787744984615425,-0.021460101301764303,-0.03016355597632211,-0.0388670106508798,14.166855778402025,-1.0413780704192936,-6.1440533188545565,0.6920750882954548,0.12470223770606796,-0.9387236306655078,-0.026172732453749334,-0.026510823840633344,-0.026848915227517353,77.77425625124191,-6.240119947080325,-33.98453447976828,4.6548461750875765,-0.1803845606223391,-3.5793836804492085,-0.2553101088954677,-0.26074957532606224,-0.2661890417566426,43.34017094017093,-0.28151873767258273,15.016443129520047,-4.7575147928994355,5.8082840236686355,-12.383076923076946,-0.6314792899408426,-0.8305325443787126,-1.0295857988165809,0.004986004905982658,-0.0026824525201449797,5.440926459130586E-4,-4.6414394713696947E-4,3.085272648835156E-4,-2.3127425806057555E-4,2.9862368896665286E-5,1.5934200381017347E-6,4.424402220348602E-8,29.899531547928998,-0.3273944508135259,-3.544156658474844,-0.7799615578889638,0.9291051117446757,-2.8633008086784892,0.06690107529875984,0.06349553583168989,0.059635924435678125,48.998530849023794,-2.429554553486838,-9.933702721938905,0.0990941200479056,0.8297506741050974,-2.7680308590895484,0.045450303757185395,0.04727993684342799,0.04935352100783627,0.035570152899408236,9.353547928991699E-4,0.007893902187440257,-0.002477943384068145,2.729579630625991E-4,-0.003710092938856042,-1.4026210001153138E-4,-2.094691387244591E-4,-2.8790378259910965E-4,0.21795162736003115,-0.016271532350301463,-0.049548817087536744,0.0040004340363899125,7.55771137612533E-4,-0.006017459170932742,-1.7106361080881919E-4,-1.8410294333773156E-4,-1.9888085353716558E-4,1.1965270192498756,-0.09750187417313008,-0.2740688264497442,0.026906625289523565,-0.0010932397613475097,-0.02294476718236672,-0.0016686935221925992,-0.001810760939764321,-0.001971770679678834,0.6667718606180143,-0.004398730276134105,0.12110034781871006,-0.027500085508089224,0.03520172135556749,-0.07937869822485222,-0.0041273156205283825,-0.005767587113741059,-0.007626561472715414,-0.5379963659735536,0.10912396922437986,-0.09308934826358628,0.06187865248855186,-0.046384683212620154,0.005989237768465435,3.1957851388990925E-4,8.873641931318209E-6,-0.010949818738421104,-0.11853552463835614,-0.026086079530667033,0.031074236405855344,-0.09576406921588766,0.0022375292131757082,0.002123629787640868,0.001994543772034744,-0.04958423265736023,-0.20273470550672268,0.0020223896172160407,0.01693419495906434,-0.05649211948044961,9.275850310130453E-4,9.649256013227988E-4,0.0010072449143405193,0.02629605769602219,0.22192488769345672,-0.06966355728286368,0.0076737922334638095,-0.10430354205527649,-0.003943252659278416,-0.005888901836234276,-0.008093970903450891,-0.07465662242302396,-0.22733859658541464,0.018354687619659995,0.0034676095185290157,-0.02760914999268433,-7.848696193777056E-4,-8.446963464678085E-4,-9.124999705032584E-4,-0.081487398616586,-0.2290536043403039,0.02248726928572981,-9.136774546327265E-4,-0.019176137950274796,-0.0013946141585993881,-0.001513347304851937,-0.0016479115372714046,-0.0065970544588624825,0.1816218634458646,-0.0412436203930383,0.05279425157945311,-0.1190492624437961,-0.006189996705474157,-0.008650015776603449,-0.01143803739054996,1.6419287158814326,0.9348216904207982,1.2522691573930795,0.9908018528009447,1.0259349653978036,0.7190298382024766,0.7507304588304197,0.7824753847829511,1.3204438444571571,1.2439737567125575,1.025007571945061,0.9400001611474571,1.1094720627854964,0.934002745221628,0.9370056933493811,0.9404090345608349,1.500625430459116,1.3860382526365458,0.9697037634842655,0.9659929868580927,1.0441586062311272,0.9726169807721617,0.9705737503904704,0.9682580892912203,0.7502971575876637,0.6925146953311155,1.2329981764046287,0.8849315722001012,1.2900079016672121,0.694568057548164,0.7288607659968814,0.7677258355720943,1.571629324819767,1.4302132868278785,0.9517325522109406,0.9793847721569523,1.015392906244176,0.9742504460069048,0.9719937514184005,0.9694361642180955,1.583347112357792,1.4342743353874021,0.9498120388086368,0.982455932372089,1.0098177053295014,0.9708054202740716,0.9689989279120169,0.9669515699016883,0.6319515658278774,0.47006643985678936,0.9089420966741009,1.0083257438309898,1.6904630433067764,0.676414132743103,0.7135626199679211,0.7556642388227152,340.0173405438291,170.25867027191435,272.99006226952065,340.4738622829592,14.80321140360692,170.25867027191435,0.4999999999996021,0.14411209808723308,0.00626574339509709,-4.4554767936107496,208.85848098447008,9.080803521063917,12.285810865713431,340.03927084981353,170.2689010040053,273.002573112391,340.49445147251515,14.804106585761529,170.2689010040053,0.4985311581970677,0.14399883131718,0.006260818752920869,-4.45728521917157,208.86428160500702,9.081055721956828,12.285874742659725,359.69751171054804,179.44976137721588,284.4190487546154,358.96891309844193,15.607344047758344,179.44976137721588,-0.7979889561162565,0.042386409207727405,0.0018428873568577132,-7.2701332630662225,239.9459548449938,10.432432819347556,12.604951532626194,340.0622877241848,170.27963866231119,273.0157043483643,340.5160608376277,14.80504612337512,170.27963866231119,0.4969896004376153,0.14387995276588894,0.006255650120256041,-4.459184773418904,208.87041491006775,9.08132238739425,12.285942281227904,380.97756644061377,189.4064889559677,297.2575010447583,379.00120300138565,16.47831317397329,189.4064889559677,-2.1645885286783937,0.06808796335772654,0.0029603462329446323,-6.1799961112267265,266.2586181289915,11.576461657782238,12.844276595636568,342.31707701756466,171.33167269466043,274.3046890808212,342.63323509612485,14.89709717809238,171.33167269466043,0.34626837175622427,0.13223493476248094,0.005749344989673084,-4.653302798015554,209.70041058620743,9.117409155922061,12.295063760513589,358.34955001445235,179.2974893493414,290.4236055855298,359.1522858914118,15.615316777887465,179.2974893493414,1.086054421768523,0.2058856310218748,0.008951549174864121,-3.6349992432371154,212.0040134202557,9.217565800880681,12.320191973157014,0,11.890000000000002,15.995925211933631,-0.3129311755855737,0.2617777549853152,4.35048092484919,7.638875103625152,22.0,64.0,63.0,63.0,21.0,1.0,1.0,0.0,0.0,1.0,48.788693999999985,3.5921620794315166,3.5373148834393744,3.4558613175632034,3.3434596745133898,3.2229602698811024,3.097073206220758,2.9276699914168365,2.7227565529918403,1.9560240789446028,1.907410220007082,1.830548552009957,1.7577770597449769,1.7083534780602072,1.5888922042821985,1.4491140620415948,1.3024255401958666,3.582945104482365,3.530559639720263,3.447652093481307,3.3492152376916655,3.2470180281347845,3.1089993479816562,2.9319069160732174,2.730644626141011,1.8992011796061106,1.85344166808014,1.7854108762308658,1.7194782409880132,1.6401351282945544,1.5214840259959193,1.3815619486537283,1.2321667529553313,3.709571674743958,3.6703683248882886,3.5999318982302193,3.506389120552974,3.4010919331681695,3.276238504183792,3.121441484747366,2.944808999243465,1.7256302298313686,1.6716039145006691,1.5876911373382885,1.5015232255473296,1.4241594698958167,1.2909704027683822,1.126342078096653,0.9472544976167334,3.6015722622729753,3.5450071134424577,3.4564985477667003,3.3586730801444475,3.2692582977092837,3.129535477112936,2.9502517124956453,2.7501549941612273,1.8647573976377418,1.8253132873035485,1.7639218771068639,1.6882796315365838,1.5966598172760482,1.4799839674181041,1.3414755974723478,1.1902278837342806,3.762521265490316,3.7170231277873476,3.6470223287864654,3.5652700069216157,3.4708012014316547,3.3451892244404027,3.1925972697478446,3.02426137594041,1.672193229882199,1.6195490785680746,1.5382628885241099,1.4492926464965623,1.3582286064929259,1.2237940531662301,1.0558968955474566,0.8698966963734633,5.129808476794057,3.6061712518626843,3.5935537477430746,3.541520369352787,3.440551137472453,3.3015304686056557,3.131241767271754,2.9404790199312294,1.829096730528116,1.7679257150469896,1.66999863718314,1.5431667118722852,1.4666872954449537,1.3778092955357097,1.2100778189688508,1.0330863800668475,0,0,1,0,0,3,17,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696923425058676,0.0,0.0,0.0,0.2946278254943948,0.0,0.0,0.0,0.6064930722941141,0.9978909578906802,0.7056154632092395,0.1935384877364132,0.25300628127545316,0.178902457172664,17.175515818550565,11.163902460147016,8.473143428936055,5.174250263505163,3.78670860770851,2.2192740015548242,1.4808753481621026,0.9846370007774121,0.7467615573282854,0.5074501118248643,0.3683975403885241,0.24639286969072205,0.18031945750992906,0.12329300008637913,0.08711031459777074,0.06153981254858826,16.207555349102115,10.359311261018453,7.2383618564123955,4.351602347283159,2.962475187487534,1.9017449124253456,1.2563483760146605,0.8258724562126729,0.7046763195261789,0.47087778459174784,0.3147113850614085,0.20721915939443616,0.1410702470232159,0.10565249513474143,0.07390284564792121,0.05161702851329206,33.80798208833703,63.305899490167626,59.93333333333324,60.76000000000007,38.73012335329347,499.9023988023953,0.5201228013590312,0.9739369152333481,0.9220512820512806,0.9347692307692318,0.5958480515891303,7.690806135421466,7.199500000000009,100.77400000000009,174.74779572148026,278.3198098212297,349.4955914429605,15.195460497520024,174.74779572148026,0.09525166029923204,0.004141376534749219,-5.407835518577611,214.71059211668512,9.33524313550805,12.349369387781028,674,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,16.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.495537579578517,-0.03269064603775074,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.630340589006935,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0928121030821245,0.0,20.917636689214465,0.0,0.0,0.0,0.02670427416264398,0.0,0.0,-0.03269064603775074,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.365151688859271,5.130385890719245,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.130385890719245,-0.03269064603775074,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20700429191888103,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9071093997342894,0.0,0.5936865628604382,0.0,0.0,0.0,0.02670427416264398,0.0,0.0,-0.03269064603775074,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.365151688859271,5.130385890719245,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.365151688859271,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2785933036135457,0.0,1.4436941024355172,0.0,0.0,0.0,0.02670427416264398,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.365151688859271,5.130385890719245,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,43.50000000000001,1.8913043478260874,0.5559027777777779,11.365151688859271,0.024392311642532194,-0.03269064603775074,12.730354410343294,1.6993573127044175,4.365151688859271,12.54826176638412,1.6993573127044175,4.365151688859271,12.54826176638412,11.16666,0.48551,0.0,0.01449,0.46513,0.76667,0.42958,0.46513,0.76667,0.03555,0.0,-0.03555,0.0,0.63327,0.08102,0.0,0.16418,0.08955,0.0,13.25,0.57609,11.75,0.51087,1.5,0.06522,-10.25,-0.44565,0.0,0.0,30.51443,1.32671,34.61277,4.09834,0.17819,10.11904,0.43996,11.16389,1.04485,0.04543,0.25011,0.01087,0.25011,0.01087,0.0,22.02,2,2,2,2,0,0,0.9523809523809523,1.08827554171981,1.5633589177515441,2.517109978919677,3.0911394594412385,3.42988898835263,3.6187382450946806,70.73791021178765,101.61832965385037,163.612148629779,200.9240648636805,222.94278424292094,235.21798593115423,0.1807055921369491,0.2595920684833398,0.4179601872662612,0.5132764313654241,0.5695249932979184,0.6008829678695652,4.934092271308645,4.45900889527691,3.5052578341087774,2.931228353587216,2.5924788246758244,2.403629567933774,0.1807055921369491,0.2595920684833398,0.4179601872662612,0.5132764313654241,0.5695249932979184,0.6008829678695652,9.201639544003168,15.025560506230134,18.227915155862874,20.16810792663302,21.6543068946521,21.72087893799914,85.92673832335481,67.8720542219221,62.295757607500164,54.438859556890485,48.53600321641826,46.78471044210477,23.0,18.340264650283554,19.954648526077097,23,3,18,3.55,3.141899999999998,0.32316520350478267,5.299957113762431,1.5882190897322825,0.0,27.408212328519852,4.021051602672681,0.0,0.4999999999999999,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.442,0.426,0.519,0.065,10.614999999999998,23.0,21.0,21.0,18.0,17.0,16.0,15.0,14.0,13.0,203.0,3.1780538303479458,3.258096538021482,3.1780538303479458,3.2188758248682006,2.995732273553991,2.9444389791664403,2.8903717578961645,2.833213344056216,2.772588722239781,2.70805020110221,5.384495062789089,1.0689655172413792,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.0,0.8181818181818182,21.0,0.9545454545454546,2,10.0,20.0,1.0,2.5,0.666666666666667,0.625,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407406,0.060000000000000026,0.049586776859504134,0.11363636363636363,0.028985507246376826,0.02976190476190476,0.011428571428571434,0.009259259259259262,0.0072028811524609835,0.005859375,0.004938271604938271,0.004285714285714288,0.0038143674507310874,0.24642756649804462,174.74779572148026,278.3198098212297,349.4955914429605,15.195460497520024,174.74779572148026,0.09525166029923204,0.004141376534749219,-5.407835518577611,214.71059211668512,9.33524313550805,12.349369387781028,26.3,386.71613054432464,5.523561956057013,4.51085950651685,5.187385805840755,5.905361848054571,6.591673732008658,7.315218389752975,8.00603417874901,8.732788324973118,9.426338455129521,10.155529493892987,110.83118973491844,3.8066624897703196,0.0,4.919980925828125,0.0,6.154858094016418,0.0,7.450660796211539,0.0,8.783396232190894,9.095826985187422,326.3184805840012,5.020284316676941,44.484106398896486,1.9340915825607168,5.348726305268756,5.348726305268756,0.0,1936.0,21.0,9.912000000000003,90.0,1.2440156249999998,2.1461789613209987,2.8729248357971424,3.6143228183601774,4.892397420025318,5.88006829143432,7.154876750071291,8.278827259369823,9.54502027781476,10.703191976820268,85.89332087348438,87.6543110501638,83.31264570676363,114.0033421960613,137.31455576746302,157.80326970271312,185.62718210898063,213.69082965146677,241.95212549923295,270.4944462061931,293.87552019292923,342.02432678151024,357.5027783862279,480.9138892170061,616.1121416038387,718.7017705153718,850.1304346201251,980.2286427248409,1111.196211890904,1240.473798410903,9.225452246437507,15.65805830070285,20.68884084635223,25.942833079176722,35.232828047517955,41.854887209409554,50.902107492056665,58.95467589319392,67.9957152250473,76.33651204671416,2.156325177113438,2.7444696111358775,2.9954514672849966,4.003127272814842,5.209598533807446,6.1676728242432155,7.333126195423841,8.46091365831849,9.61445059401261,10.73278528819456,178.60217558063616,332.0075102805117,471.6348240394706,582.7498106358767,796.1053567300866,958.4465811977034,1172.3986345368846,1356.6005525156932,1569.0569017190833,1760.5098984068397,2.675756510416666,4.298402744464103,4.945185038168419,6.49115767656004,8.801811033421153,9.518008126539392,11.58751124124769,13.519184674517104,15.686757385681492,17.782589608572323,0.4591135546874996,0.6011512372717672,0.6627292331904342,0.8782510668694091,1.1472769403086793,1.3467463034628024,1.6061187705828204,1.8567471230646484,2.1161141714192175,2.3683472544342075,842.4596634378394,1273.6568562398013,25.139914141699744,226.84545524914847,-342.95205090995466,-19.686062742070526,615.6142081886909,1616.6089071497559,44.82597688377027,0.7878571314353243,1.1911070413688276,0.02351051510215282,0.21214286856467554,-0.32072422072669904,-0.018410145428129316,900.8464304013988,1361.9277958279968,26.882238875070932,242.56700644879453,-366.72038350221504,-21.050407656889217,0.17309779436777778,0.20692986389409587,1.731094120699781,1.767938276014807,1028.604231425867,40.700887261120826,0.9619370687095392,0.038062931290460775,1517.208127821514,38.95135591762518,11.490750288319243,1924.0636432565955,43.864149863602684,12.437692375783286,2802.034383109491,52.93424584434439,14.098010186671635,4.847732231794383,4.847732231794383,19578.485338723607,19470.379020457818,208.28675168946575,1.0055523479102384,93.99774675978013,93.47872038201528,9.097769314333544,13.061375644960512,25.800777432234042,0.975349161800487,11.727049301883927,18.520764703204748,7.509291014080413,82.1354008062997,33.11033129232802,3.676817543897639,15.436167004463702,10.258908978675779,64.21583114738685,4.152126068052085,4.831595962453556,58.909002683377494,4.949634607296976,70.25427450118377,3.8782185287790343,7.491837588441716,35.987678534156025,3.4897702721321324,62.770452599365434,4.292175725883755,8.231296068868858,25.98434588534878,5.220990582743558,48.334797066801904,4.814976873753013,10.1241165876357,17.00730580044073,5.313162027180063,32.37034071904677,5.2839648193793165,1.000677506087813,18.6711213835782,0.519313734996749,18.98829888130997,0.4750942229326431,1.7637139667283268,2.9002456022710104,0.5972294337752869,17.055918962848203,0.12143330960960932,2.767642434022875,4.914548209593027,0.324711853719557,14.420796495137655,0.08634616946353113,2.9074065945383802,1.5830756759645723,0.3980778488763122,10.996393929841524,0.11457670627754354,3.2361764297472706,0.6459696299308049,0.5790512664301444,7.5909569868952635,0.16211169786452015,3.6372254966959083,0.3304517420722966,0.7606173177524712,4.6561070206930815,0.2148469732284203,3.182891535327701,18.390080716344276,1.6588910263555174,23.059479292671746,2.744228696365782,1.8621515058211686,5.143737895604915,1.6227067412700733,22.44393023569944,0.5415953339828963,2.6239188850043846,13.700218964032482,0.7485423768889472,22.63716495147594,0.43630276540981305,2.998141955036872,5.6442206345046735,0.7053011307698288,18.822138977785166,0.5317238568045015,3.5968961840867375,2.885983278145218,1.0683514376567342,13.636734110479683,0.682760267203179,4.220604220047954,1.7508476824525987,1.2860555048261222,8.635636951092705,0.8441795822391374,11.074493031181587,18.67126209758558,7.178313754471662,76.70346516606332,30.271649204713288,3.5975930275797188,14.961426850100594,9.875504711130677,61.31258482462132,3.762947541536087,4.828049202724682,55.17845710976465,4.483838517971535,66.43874300833106,3.4960696070683652,7.380551234417639,33.39487313291607,3.186879978774558,58.97824500277266,3.8823288397589137,8.342680241649886,23.848643138693618,4.776596559620252,45.2086622407366,4.37833029149685,10.317809441787874,15.368589067941416,4.8952633737500975,30.166499981248244,4.830226188065132,4.6834147549377985,18.28333215459203,2.476179446404049,28.258895679401245,5.425315142652342,2.0234785397887696,6.708634934921948,2.4701580420342637,27.179992831822968,0.9495601913905956,2.7091766850460948,20.41305338763928,1.1937464932157993,29.1363105014352,0.802444852354646,3.3233627836262882,9.177691779287613,1.012402448051962,24.971171921936538,0.9474179482010265,4.023484650954039,5.17998269280167,1.5403557482748376,18.443411210970247,1.167577981671476,4.780447774161101,3.2936485575175563,1.7667152087845526,11.856700639057568,1.3965631188941758,14.162133407911007,18.616516057059993,9.636159944656276,111.05776012103763,48.20896327673403,4.428101553621097,18.749656553685497,14.20858627495475,81.75049774183512,5.754788924376258,5.849620803344128,74.50374253755587,6.887931675251468,88.03529843926609,5.463472715975653,9.430600349732844,48.95575269422597,4.743641377269638,79.03027493341665,5.984620145679524,9.902405406558026,36.86008436630432,7.0551533380282985,61.370049687911305,6.6040418455544385,12.287482062087653,24.203986041295487,7.032153652482957,41.47917006868771,7.126787012835851,7.667302752851484,18.06396595438552,4.717527888443543,52.681843566721554,16.60593359600307,3.0824473802755867,11.693740900167791,8.645002254326279,47.214017995498935,1.9242406270096588,4.331476694090075,36.27955567954629,2.373721390952827,47.24080120928205,1.7259900308332279,6.171551949126093,21.69738688985259,1.8388930123635079,39.73593643396234,1.9602976996445836,7.627062897438722,14.606642400786795,2.7839874989887745,29.53348076829066,2.2875053333975326,9.439448639778313,7.969591209718714,3.0441068658088333,19.367288484500715,2.607613062083637,60.818615526401786,0.9330520919627535,0.5693235156255323,0.9758929442511886,0.014971714585807733,0.5610504107917956,0.5226940797656726,0.4938059929703209,62.32099113399007,91.90361295141422,186.53196944449576,0.9638394163767828,1.5775504835277891,60.205855413673625,0.4855311347007742,0.15445347574448243,0.9894818674507317,0.007979693180475656,0.5498411500749312,0.14840237690811575,0.03741263093982287,60.84584002411888,38.60581289478005,103.96660870238247,0.9842228011760976,0.7356561579228698,59.672766724017116,0.6406343492410901,0.31926847728940466,0.9841685541203121,0.010565827861282155,0.5401166709315975,0.24856168864849762,0.15648963175875039,60.63266955054761,57.48459179846038,130.32239209345485,0.9762528311804681,0.9451679913388455,61.02948448692076,0.9228453287233271,0.554331387210187,0.9763676912587028,0.014763951728734901,0.5649476689403331,0.5151987187378366,0.47196942022852895,62.506661202854275,90.66289560075658,184.38992995692914,0.9645515368880542,1.5521158079066986,59.653916407163386,0.7203329369806744,0.39579657500170706,0.9816335581930055,0.011853420975509442,0.5397724986705896,0.31007917545036956,0.23727049296649078,60.770045919145765,66.86660191668291,144.64429612511543,0.972450337289508,1.08712216708745,61.047501772556686,0.9715888310194473,0.6003121957070862,0.97489754043543,0.015515779256690208,0.5652805147387714,0.5674846086170298,0.54985117575093,62.619402799283215,96.54388733984548,194.76964995554633,0.9623463106531449,1.6826162991067313,61.107408023031006,0.9291101351765099,0.5577770759893383,0.9762456433832725,0.01484336762160577,0.5663899584430203,0.523226134728184,0.47840582315491353,62.59429523419685,91.37805983140896,185.64043420847372,0.9643684650749087,1.568021916326118 +UMLCN0128,L,stearic acid,CCCCCCCCCCCCCCCCCC(=O)O,Acids,,C18H36O2,NREL (2014),Other Ignition Delay Method,PubChem,,62,1,-4.473700000000003,20.013991690000022,61.34120000000001,57.288547999999956,0,0,56,20,36,0,18,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3145.268483999997,3276.693107000002,3791.1091150000043,3470.838608999999,3259.987015999998,3063.2302869999976,2866.4735579999974,2669.7168289999972,2472.960099999998,9175.10058493016,11903.04153748387,15990.801266488244,16762.95126367354,15736.306776954829,14729.508431999699,13722.71008704457,12715.91174208944,11709.113397134312,404.29742399999975,406.84482800000023,765.7175320000009,1079.478420000003,1020.5592800000031,957.6743800000031,894.7894800000028,831.9045800000022,769.0196800000016,67.492672574564,89.59879883599994,132.11294227213088,147.79730749003417,139.13023645433594,130.1087075949397,121.08717873554365,112.06564987614767,103.04412101675175,9310.236454097965,8006.664157007654,16446.616273010415,25138.93146888669,23844.62734120046,22365.67218616188,20886.7170311233,19407.76187608472,17928.806721046145,163.77777777777777,120.91666666666667,220.99999999999997,250.58333333333331,233.33333333333331,221.08333333333331,208.83333333333334,196.58333333333334,184.33333333333334,56.16550864285709,59.57623830909095,35.76518033018872,22.83446453289473,22.63879872222221,22.6905947185185,22.749790142857123,22.81809255555553,22.897778703703686,163.84108187375287,216.41893704516127,150.85661572158722,110.28257410311541,109.27990817329743,109.10746986666443,108.91039751622675,108.68300634264479,108.41771664013251,7.219596857142853,7.3971786909090955,7.223750301886801,7.101831710526336,7.087217222222244,7.093884296296319,7.101503809523831,7.110295555555574,7.120552592592607,1.2052262959743572,1.6290690697454535,1.2463485120012348,0.9723507071712775,0.9661821975995551,0.9637682044069606,0.9610093550439972,0.9578260673175015,0.9541122316365902,166.25422239460653,145.5757119455937,155.15675729255108,165.38770703214928,165.58768986944764,165.67164582342133,165.76759548510555,165.87830663320275,166.00746963931616,2.9246031746031744,2.1984848484848487,2.084905660377358,1.6485745614035086,1.6203703703703702,1.6376543209876542,1.6574074074074074,1.6801994301994303,1.7067901234567902,0.36919227294341955,-0.22197102931515272,0.097328694685254,-0.06881669753363148,0.005718077321401824,3.07841286478823E-4,8.310877137242267E-6,1.0763433801359856E-7,6.043434936514602E-10,1700.069443714286,-64.27719171938438,-564.9425506020362,-62.28067429591703,13.873625306123593,12.401736403062053,10.929847500000513,9.4579585969392,7.986069693877916,2734.480695057914,-66.90379657917003,-1298.4582455215298,-65.01567982991317,8.337032087173974,8.140890814631028,7.944749542088083,7.748608269545137,7.552466997002192,2.254525714285717,-0.08381689795919059,0.8999094693877524,-0.09780122448978984,-0.009034122448972615,-0.02075991836734084,-0.03248571428570911,-0.04421151020407739,-0.05593730612244571,12.153614781201446,-0.17278003488144417,-5.920651364000242,-0.1806761292562271,-0.029762392665381818,-0.03021788887379627,-0.030673385082212498,-0.03112888129062695,-0.0315843774990414,66.83411720795125,-0.7492061903799254,-31.871903171788848,-0.828139706886506,-0.28642061492241977,-0.2937489776995714,-0.3010773404767302,-0.3084057032539067,-0.3157340660310619,58.81746031746024,-0.5211167800453478,26.530045351473948,-2.5600907029478606,-0.5782312925170063,-0.9468537414965966,-1.315476190476188,-1.6840986394557804,-2.052721088435373,0.006592719159703921,-0.004035836896639141,9.181952328797547E-4,-4.527414311423124E-4,3.970887028751266E-5,2.280305825769059E-6,6.595934235906562E-8,9.199516069538338E-10,5.5957730893653725E-12,30.358382923469396,-1.168676213079716,-5.329646703792795,-0.40974127826261203,0.09634462018141383,0.09186471409675595,0.0867448214285755,0.0808372529652923,0.07394508975812884,48.83001241174846,-1.2164326650758188,-12.249606089825752,-0.42773473572311294,0.057896056160930374,0.0603028949231928,0.06305356779434987,0.06622742110722339,0.06993024997224252,0.040259387755102086,-0.0015239435992580107,0.008489711975356154,-6.434291084854595E-4,-6.273696145119872E-5,-1.5377717309141364E-4,-2.578231292516596E-4,-3.7787615559040506E-4,-5.179380196522752E-4,0.21702883537859724,-0.003141455179662621,-0.05585520154717209,-0.0011886587451067573,-2.0668328239848485E-4,-2.2383621387997237E-4,-2.4343956414454363E-4,-2.66058814449803E-4,-2.924479398059389E-4,1.1934663787134152,-0.013621930734180462,-0.30067833180932874,-0.0054482875453059606,-0.0019890320480723594,-0.0021759183533301587,-0.002389502702196271,-0.002635946181657322,-0.0029234635743616844,1.0503117913832185,-0.009474850546279051,0.25028344671201835,-0.01684270199307803,-0.004015495086923655,-0.007013731418493308,-0.010440287226001493,-0.01439400546543402,-0.01900667674477197,-0.6121657542015472,0.13927413114939827,-0.06867294361779624,0.006023139970866891,3.458824455479259E-4,1.0004876707356642E-5,1.395405423268703E-7,8.487807464282582E-10,-0.03849599683968141,-0.17555766119784208,-0.013496808420116807,0.00317357549722887,0.0030260081483370897,0.0028573597496036256,0.0026627654433727696,0.002435738752770113,-0.02491157804381688,-0.25086223584244893,-0.008759668789684769,0.0011856653992371427,0.0012349555518172256,0.001291287154765892,0.001356285158168199,0.001432116162137558,-0.03785312405961466,0.21087533737470338,-0.015982088759010436,-0.001558318815795902,-0.0038196600014595455,-0.0064040499279322885,-0.009386038304631613,-0.012865024744114165,-0.014474828536873872,-0.2573630432552207,-0.0054769622803034195,-9.523309749966403E-4,-0.0010313662398339831,-0.0011216922567910113,-0.0012259145840490511,-0.0013475072991834304,-0.011413753229366396,-0.2519369939297888,-0.004565095123315784,-0.0016666008222339557,-0.0018231919994896293,-0.002002153344924732,-0.0022086472050422854,-0.002449556708512599,-0.009020988456961958,0.23829442720280716,-0.0160359067957305,-0.0038231457742994666,-0.006677761285776393,-0.009940179013178604,-0.013704507160181161,-0.018096223331684147,1.6233282847331822,0.5828359751892042,0.7113607266448919,0.6506207057481134,0.6856850651552993,0.7199658304331045,0.7591513002810312,0.8048565060825468,1.321666212111286,1.261148065463771,0.9475282055574554,0.9205259253167225,0.9238694096093775,0.9276905345152688,0.9320995247912974,0.9372433467799974,1.4686159778266643,1.4589467417029367,0.9854486403657702,0.9714776429611749,0.9691598252933353,0.9665108908158041,0.9634544279571147,0.9598885546219768,0.7999092618783284,0.37532238239839155,0.7066611454413888,0.6423491950441542,0.6766012049226497,0.7157463590695019,0.7609138446235623,0.8136092444366326,1.5118950026047757,1.4930349027491843,0.9826287564606523,0.9736753925637104,0.9711133804955888,0.9681853667034498,0.9648068892509818,0.9608653322231023,1.5146478109766748,1.4862015832531545,0.9772391651954248,0.9690443701611208,0.9669969161377316,0.9646569686824299,0.9619570293109277,0.9588071000441748,0.7098232357306715,0.3125564879335413,0.6972210583130348,0.6158216390050832,0.653413094649096,0.6963747582422534,0.7459459085420505,0.8037789172251468,268.5891728462935,134.54458642314677,215.02703631836945,269.0391728462936,13.451958642314676,134.54458642314677,0.5000000000000568,0.0539974447070366,0.00269987223535183,-5.8376371075551265,171.9455998675549,8.597279993377745,10.294356293893278,268.5954126445604,134.54697190137887,215.02971724885631,269.04409068693803,13.452204534346897,134.54697190137887,0.4985311581973235,0.05396599137582425,0.0026982995687912124,-5.838802440310119,171.94274518138414,8.597137259069207,10.294323089090476,274.172590965263,136.68730100457338,217.44312268707844,273.45440090475836,13.67272004523792,136.68730100457338,-0.7979889561161997,0.025885001230660454,0.0012942500615330226,-7.308183162169782,170.20113246123597,8.510056623061798,10.273961739651854,268.60196154478444,134.54947557261113,215.03253103202485,269.0492521851785,13.452462609258923,134.54947557261113,0.49698960043778584,0.05393298008842018,0.002696649004421009,-5.8400262254115365,171.9397513885343,8.596987569426714,10.294288265650728,280.19315142528626,139.01428144830396,220.08579378456858,278.24502174947577,13.912251087473791,139.01428144830396,-2.1645885286783653,0.00446154415365857,2.230772076829285E-4,-10.824520700156087,170.01653081713093,8.500826540856547,10.27179134484704,269.243230538006,134.7947494548812,215.30828944208253,269.5548720725868,13.477743603629342,134.7947494548812,0.3462683717564232,0.050701229598581976,0.002535061479929099,-5.963610232483142,171.6579477396838,8.58289738698419,10.291007641679716,276.2366388553187,138.21763982630705,222.2850704069039,277.2435524355654,13.86217762177827,138.21763982630705,1.4384479717811018,0.0768082523615981,0.0038404126180799055,-5.13288638395231,174.4478804018286,8.72239402009143,10.323252034766304,0,11.996163377277338,15.998263803527717,-0.35139270528412897,0.2787574095033642,3.721732492166706,7.631983861860865,19.0,55.0,54.0,54.0,18.0,1.0,1.0,0.0,0.0,1.0,40.31345199999999,3.5645391400925557,3.5195836930130002,3.4320064132459556,3.3045868434695937,3.141896765899429,2.9499619193512694,2.736133433185249,2.5089096192129916,1.9559012747913083,1.9067298056887023,1.827318643251689,1.7215654765879187,1.5949858526906948,1.4545448290820706,1.3081913271958199,1.1640416461937675,3.5813658454611343,3.52377233551662,3.428863417879008,3.298847491449679,3.137488769706681,2.9501861989759144,2.7438422466868224,2.5265779364035237,1.898560087404825,1.850024086937546,1.771416728643458,1.6662547124392455,1.5395516930229023,1.3977236991724875,1.248238300295635,1.098915016872906,3.7044558569598314,3.6557199961246867,3.572985572168103,3.4574288660590136,3.312840522962946,3.1451033881407526,2.9616919021085217,2.77116936722269,1.725140422073746,1.6691138097926865,1.5781358292862397,1.4558302986647333,1.3072861708264032,1.1389934770305359,0.9586398047992474,0.7746745368878778,3.600810018765459,3.541365058440365,3.44427911860207,3.3126338919898233,3.1508757698847782,2.964833123762576,2.7616271731356843,2.5494284800592415,1.8626086705546339,1.816158090622515,1.7398639177817838,1.6361408878171648,1.5091394302440932,1.3647290924882591,1.2101439609007212,1.0533172155380102,3.760896845627759,3.709737344583861,3.625934817589417,3.512140017269359,3.3725966614804688,3.2131797937079374,3.0411736870630715,2.864778255658402,1.6712449984574074,1.6150228447043269,1.5232583044458456,1.3990123627776017,1.246771356149518,1.0724720810960702,0.8833762102404529,0.6877368341718184,5.296941171074488,4.2717503911206745,3.623976878677828,3.562998617301018,3.460713593361699,3.319719569817671,3.1458594229805357,2.9474625555281264,1.8093201604694782,1.7476263022751166,1.6485741143214454,1.5176644301239834,1.3622221004709716,1.1908886079799943,1.0128717228356072,0.8370608840239777,0,0,1,0,0,1,16,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.06454972243679027,0.0,0.0,0.0,0.2886751345948129,0.20412414523193154,0.14433756729740646,0.04564354645876384,0.03227486121839514,0.02282177322938192,14.891058768174391,9.770055610029663,7.132269453018,4.385027805014831,2.923906201320913,1.9425139025074156,1.2851764053638195,0.8462569512537077,0.7445529384087195,0.514213453159456,0.37538260279042107,0.25794281205969594,0.18274413758255706,0.12950092683382772,0.09179831466884425,0.06509668855797751,13.669170384948586,8.98839111476173,6.093486011529187,3.994195557380866,2.647546068712556,1.7470977786904331,1.146996339059641,0.7485488893452166,0.6834585192474293,0.4730732165664069,0.3207097900804835,0.2349526798459333,0.16547162929453474,0.11647318524602887,0.0819283099328315,0.05758068379578589,29.182498676979392,54.64238892935186,51.756862745097976,52.48000000000005,33.33445988023957,430.81763353293417,0.5211160478032034,0.9757569451669975,0.9242296918767495,0.9371428571428579,0.5952582121471351,7.693172027373825,6.332500000000008,87.18180000000008,136.49642129976056,217.1611856215964,272.99284259952117,13.649642129976055,136.49642129976056,0.028600361469098723,0.001430018073454936,-7.108671844913046,170.27343308966326,8.513671654483163,10.274811149702758,521,1.0,0.0,2.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,16.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6966145338647545,0.0,18.850529022694406,-0.6530610164081214,7.198262347895938,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6966145338647545,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.320965589006936,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2700014291906463,0.0,20.199197231189736,0.0,0.0,0.0,0.0,0.0,0.0,-0.6530610164081214,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.51732177827958,10.333207244414826,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6966145338647545,0.0,8.51732177827958,-0.6530610164081214,7.198262347895938,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6966145338647545,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20700429191888103,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2700014291906463,0.0,0.3454921184159938,0.0,0.0,0.0,0.0,0.0,0.0,-0.6530610164081214,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.51732177827958,10.333207244414826,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6966145338647545,0.0,10.333207244414826,0.0,7.198262347895938,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6966145338647545,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5125,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2700014291906463,0.0,1.434705215419501,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.51732177827958,10.333207244414826,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,40.66666666666667,2.0333333333333337,0.6966145338647545,10.333207244414826,0.20700429191888103,-0.6530610164081214,10.808735286157356,2.319727683074788,3.3332072444148264,12.241060903770107,2.319727683074788,3.3332072444148264,12.241060903770107,9.66666,0.48333,0.0,0.01667,0.47024,0.77667,0.42903,0.47024,0.75397,0.04121,0.0,-0.04121,0.0227,0.62232,0.09197,0.0,0.12069,0.05172,0.0,11.5,0.575,10.0,0.5,1.5,0.075,-8.5,-0.425,0.0,0.0,24.7603,1.23802,28.06635,3.30605,0.1653,8.87183,0.44359,9.77005,0.89822,0.04491,0.14395,0.0072,0.14395,0.0072,0.0,19.02,2,2,2,2,1,1,0.9444444444444444,1.1077843849525173,1.555064484071861,2.199009891588797,2.6685164313253615,2.98849596541698,3.1128737801335173,62.03592555734097,87.08361110802421,123.14455392897261,149.43692015422025,167.35577406335088,174.32093168747696,0.19075541271722687,0.26777500341254945,0.3786594621996455,0.4595063444787492,0.5146053591568889,0.536022650916365,4.699570537105087,4.252290437985744,3.608345030468808,3.138838490732243,2.8188589566406246,2.6944811419240873,0.19075541271722687,0.26777500341254945,0.3786594621996455,0.4595063444787492,0.5146053591568889,0.536022650916365,9.474970853405472,13.690994112306415,16.400548488100085,17.913486815225536,18.759996588081265,19.049444460762754,74.34121964820336,64.27718476323683,58.517973989151535,53.83334874185632,51.05633474261672,50.41389907868709,20.0,17.05263157894737,19.058823529411764,20,3,18,3.2199999999999998,2.7191999999999994,0.0,2.352779665665871,0.058823529411764705,0.0,27.408212328519852,2.352779665665871,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.591,0.41100000000000003,0.402,0.508,0.152,9.857000000000001,19.0,17.0,16.0,15.0,14.0,13.0,12.0,11.0,10.0,166.0,3.044522437723423,3.091042453358316,2.9444389791664403,2.8903717578961645,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,5.181783550292085,1.0662650602409638,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.0,0.8421052631578947,18.0,0.9473684210526315,2,9.0,18.0,1.0,1.5,0.44444444444444464,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.07894736842105263,0.023391812865497085,0.014705882352941176,0.010000000000000002,0.0074074074074074086,0.0058309037900874635,0.004807692307692308,0.004115226337448559,0.0036363636363636372,0.003305785123966942,0.17877229068511244,136.49642129976056,217.1611856215964,272.99284259952117,13.649642129976055,136.49642129976056,0.028600361469098723,0.001430018073454936,-7.108671844913046,170.27343308966326,8.513671654483163,10.274811149702758,37.3,334.8281766667237,5.321928094887363,4.343805421853684,5.003946305945459,5.6937321388027,6.364750756851911,7.057036981697891,7.732369222284388,8.4252971767117,9.10286651367095,9.795958019593462,102.51976253741213,3.6635616461296463,0.0,4.74493212836325,0.0,5.942799375126701,0.0,7.193685818395112,0.0,8.47407690034261,8.805525052709516,284.2715303920008,5.076277328428586,38.66155413230578,1.933077706615289,4.764172033029732,4.764172033029732,0.0,1313.0,17.0,8.708000000000002,76.0,1.2427272727272727,2.1530977761116343,2.869474391450646,3.598464368003444,4.94018790574063,5.954087853204064,7.27814900692093,8.382783677882609,9.689549151108887,10.833852610964337,85.63053135227268,85.2825785033759,79.11381451148958,105.22250305223092,132.87266999776304,160.8800146870832,189.26660149776825,217.9572234062516,247.01535227716192,276.53768702518454,295.9886967006175,346.0826879250288,349.5753477932047,466.95309310972,597.2080203291151,725.6893302459124,857.327236710316,986.6750360361359,1116.8999652441314,1244.3818304083834,9.220827837309097,15.618076449173735,20.444588485572513,25.71493898976656,35.19279944122147,42.50202531029885,51.92623847783472,59.91157816941567,69.30293123958035,77.65522074581393,2.1722952366989445,2.807479854257478,2.975138507669166,3.947770117162347,5.114759391565035,6.211066670933892,7.378955745725174,8.488287041664885,9.630326966575891,10.716097197917138,178.47922963254902,330.8967293492142,470.8785403738542,580.6786314169578,808.5784376359144,971.4862188711519,1195.3582253131976,1376.13985580237,1597.2265653271731,1786.8536648789152,2.784546969696969,4.649545324413627,4.855122612239282,6.163836187069907,8.336914038494244,10.219295328603662,12.52293880802267,14.670603362630391,17.165490623615412,19.616962595023136,0.4604756018181816,0.6071177270334794,0.650947349569723,0.8603471323953953,1.1205189614078168,1.3630398408162214,1.6259503314979957,1.8756787127354304,2.137289926675613,2.3880822375724517,733.3430857748635,1066.3347449086982,30.129887865849273,258.6186888620071,-376.050581188616,-34.87732215875492,474.72439691285643,1442.3853260973142,65.00721002460419,0.7392856302787673,1.0749756413739362,0.03037404125464308,0.2607143697212326,-0.3790978551832579,-0.035159945726257975,727.4483087829126,1057.7633059165871,29.887697037017766,256.5398535578173,-373.02780186908615,-34.59697038318039,0.1780178530919859,0.22799504836988618,5.626413522512877,8.979874491926472,860.2940595082638,131.667715128607,0.8672653337102563,0.1327346662897437,1295.3650906279092,35.99118073400634,10.900942854298497,1651.3464412989072,40.63676219015126,11.819870860204103,2273.89637778775,47.685389563132965,13.149933501256918,4.799657054452211,4.799657054452211,14171.98716931354,14075.774666495381,152.85108068536647,1.006835325592926,92.71761184656332,92.08815929453193,8.310270167515863,11.837186512466078,22.79613789983406,0.9258071059222392,10.699339846735874,16.24095266554193,5.6510078678394695,77.01665471464742,31.146389522048693,0.44969705072193455,13.634677196290507,8.252488673481121,60.29151274196187,0.9637798317580455,2.658499196079619,55.81373219401351,6.229001214139164,66.44664535334599,1.354008688639943,2.595160209223392,30.066949639096936,5.3439018477760865,60.33958243047766,2.14356327208929,4.4140994917414,19.830822581975518,5.487917493349717,47.82986227007873,2.897835970414875,4.581513952116659,10.817377383590381,4.660612601987859,31.880486009936565,3.626568380014384,0.940192578696516,16.264350218231705,0.4132762234158327,16.792226629241046,0.38160801704632263,0.3798180446892813,1.9650507978034424,0.29931478121842886,16.383602015985208,0.025323275547973936,0.9405477045141155,4.687930049730831,0.17927727002685256,14.192273199534101,0.057197452824711975,1.2317810255389199,1.2429836955976996,0.14338934601306486,10.914347281131791,0.09314122116191575,1.4990456176785367,0.4257510914038271,0.1311143911469369,7.570387034847369,0.12592071561977647,1.689147624729178,0.12835677695631043,0.11987204564456796,4.634424294597628,0.15345735956339193,2.8330320231535513,16.219539606036136,1.3734994694815403,20.722835181125365,2.4772950681608568,0.23154658756910534,4.117250107563321,1.1576528721226595,21.392394384663532,0.11835674533493876,0.7932416082702971,12.990417611746699,0.802096165643763,21.918944979685683,0.22182705507019165,0.895440365810931,4.4431294482729164,0.6588148953782302,18.485811536662005,0.35783536562132434,1.2450600298526953,1.9799141245397922,0.6306244544815528,13.557344999350946,0.4837629809253465,1.4315033692219548,0.8893279097139044,0.5478173170955262,8.553108317926727,0.5948083390283707,10.393002333685516,16.2649055299831,5.291994143871944,71.3231853699703,28.306301069623107,0.5283372796402107,13.157451072994599,7.649339662355736,57.688019747274616,0.8714731284357853,2.699852324593029,52.29501854193209,5.64348847819645,62.93543779865635,1.239214829435808,2.762575525488572,27.914179220371793,4.833285397573405,56.770823748898955,1.9636141564394556,4.585565792723392,18.244173285849207,4.951750656165137,44.74754828736102,2.654570271123683,4.9573004918016546,9.744338474755537,4.209799220299579,29.717588495217033,3.3192842945898042,4.081194004030456,16.20255569995862,2.065020634493136,25.735283519583575,5.025527631367497,0.18525770954462012,5.589829457504993,1.9349681505840082,25.783638321754154,0.21147557231685843,0.8561333965440401,19.34116617740347,1.411169924307956,28.01040830041991,0.36455511356955306,0.8590735972272676,7.302969740087508,1.1748320196955553,24.39343278744625,0.5852180889153347,1.306122987287169,3.647137022275369,1.1499323612134955,18.31175290754833,0.7911595120437873,1.4458717461724329,1.812341520770362,0.9897834313628807,11.722094712524687,0.9772334828688881,13.15482207885074,16.256507923979584,7.02442854372381,104.89044878931135,45.415630333844156,0.5612792152937826,16.715995699479613,11.40403470285936,76.60198461608908,1.3451253156084673,3.483350075933989,70.58303428410183,8.647446614421941,83.00414103462626,1.8192372683356386,3.409466299659652,41.29405515193066,7.456162993742673,75.6816310309055,2.871627928747755,5.939118168257081,28.462677721899688,7.716384700493851,60.68677890690994,3.882073743272519,6.113769818024692,15.693536268719265,6.539665358442338,40.82377566545187,4.871785444776037,8.788415807146922,16.111936640283517,3.480036584592663,48.2318922192993,17.040853430382157,1.153847900080474,10.70228505550003,5.161270608478202,48.085535379820065,0.4589776658370342,3.489477457293359,35.999455100987916,3.0150290223732004,47.40108947460343,0.704334932653398,4.361867196832679,19.142979386117332,2.552743640081373,40.36981511499015,1.122180897662242,6.370186056758065,12.138853146950167,2.577209123828086,30.63333094330337,1.5170658152314904,7.766329564080582,5.272752846098039,2.213034412905388,19.99716984880378,1.8872021823063996,45.119692681927425,0.8522040134889277,0.5017751812500001,0.9708656721093145,0.01833735057024416,0.552734752622164,0.6784616325003723,0.6071376128024841,46.47367187666635,61.51873998767438,127.28626127924437,0.9562985081639718,1.8383339979250204,50.73713690619558,0.4438400127266693,0.09956343917830192,0.9894033204777037,0.008655135254567533,0.699356127014447,0.17841836320624663,0.023903889108855783,51.28054035810055,27.6149255727138,81.13755209182071,0.9841049807165557,0.9016783793295494,45.858042319356606,0.5733208552930638,0.2608591172705728,0.9821344983892963,0.012278722818302716,0.5710225611912363,0.30832131878201513,0.164089513114147,46.69222229192024,38.40341645600754,91.9539828513141,0.9732017475839445,1.0434333930873985,46.137907306180864,0.8486016437551722,0.48540247859884783,0.9718990855389874,0.01787586844976051,0.5779676070506314,0.6751875121150446,0.5681627604291003,47.47191142853489,61.96007188445475,128.4368028684611,0.9578486283084813,1.8213178795947762,44.34328474375197,0.6417879880736379,0.3365722776198317,0.9784129577492262,0.014160739045104904,0.5338805744378453,0.3862687614502028,0.27316526143313313,45.32164500944544,43.59971588851335,98.49986713967866,0.9676194366238394,1.1933145973211814,45.3309742296902,0.8906734965494749,0.5311001776674568,0.9695895163822422,0.019050719721974703,0.5579237409256752,0.7406332514951973,0.6801765878512805,46.75274790390713,64.9234226386408,133.11939190209057,0.9543842745733632,1.978733580272153,46.359044504005794,0.8544921131440972,0.4865068558526004,0.9718868396890312,0.01791386445229818,0.5835250163358872,0.6850568784728397,0.5707510448130236,47.700043473002495,62.58314715486036,129.5553997508675,0.957830259533547,1.8393329396217504 +UMLCN0129,L,trimyristin,CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC,Esters,,C45H86O6,NREL (2014),Other Ignition Delay Method,PubChem,,100,0,-9.546200000000006,91.12993444000011,159.12390000000002,141.35619800000018,0,0,137,51,86,0,45,0,6,0,0,0.0,0.0,0.0,0.0,0.0,8115.074955000036,8685.51443,10513.525693000001,10659.127632999942,10823.147333999947,11392.309855999973,11264.607079999972,11596.44244999998,11457.297616999987,23029.80726156587,29956.107498269514,40731.26956591786,44177.11659593513,43859.48691667209,43652.59898735386,43399.46529036544,43421.6428513113,43488.35618617951,997.2214200000031,1011.5824639999989,1936.8417639999984,2711.466076000003,2639.996904000003,2603.7872480000024,2597.037536000003,2561.7609200000024,2543.5569800000026,167.5964338170147,222.16377066000038,327.5032037479044,372.7030055947484,365.10369345456024,359.9724240674661,355.66494950346595,352.1110006440699,350.4105856738818,22721.371812950358,19747.19765873438,41125.097500129006,61908.47097696981,59780.30613526819,58544.80689435176,58366.71625805047,57321.24211593188,56398.25321940758,377.3611111111111,295.75,540.3888888888889,673.6111111111112,690.6666666666669,751.3888888888889,728.6944444444446,773.6666666666665,766.9999999999999,59.23412375912435,63.864076691176464,39.82396095833334,28.424340354666512,29.81583287603291,32.00087038202239,31.820923954802183,33.32311048850569,33.40320004956265,168.10078293113776,220.26549631080525,154.2851119921131,117.805644255827,120.82503282829776,122.61966007683668,122.59735957730351,124.77483577963017,126.78821045533385,7.278988467153308,7.438106352941169,7.336521833333327,7.230576202666675,7.2727187438016605,7.314009123595512,7.336264225988709,7.3613819540229954,7.415618017492719,1.2233316337008373,1.6335571372058852,1.240542438439032,0.9938746815859957,1.0057952987728933,1.011158494571534,1.004703247184932,1.0118132202415802,1.0216052060463028,165.84942929160846,145.19998278481162,155.77688447018562,165.08925593858615,164.68403894013275,164.45170475941504,164.87772954251545,164.71621297681574,164.42639422567808,2.7544606650446064,2.1746323529411766,2.0469276094276094,1.7962962962962965,1.902662993572085,2.1106429463171037,2.058458882611425,2.2231800766283523,2.236151603498542,0.9215816036017107,-0.47590523069733504,0.039964194496245456,0.12824010362881405,-0.30377618034098247,0.2198092662780536,-0.10482262306953063,0.005158045971735269,0.04279063290952573,4297.66639055474,35.221320237603436,-1063.717996054411,508.6421166859261,323.705315318456,651.075192894243,520.8844321724141,707.2821222696989,7.2300111366587885,6741.627871357907,-263.99063260914073,-2807.941208666318,452.7495818881728,259.8003237624935,100.1398186920571,435.58309937400287,601.9021667190295,84.43988683401379,6.542727766423353,0.1517713267622286,2.5678793698119255,1.532270361979862,0.3906240933454197,3.4050090741115597,1.1348188225265277,1.22902599477865,-0.5646437363737713,29.983353457778872,-2.184770068958005,-13.371507934108454,1.3836145602239525,0.24371188398142518,-0.9585458121449615,0.8888211086985351,1.0673015760817925,0.21428923622991913,165.38741926531551,-13.580101688094016,-72.72777647398931,7.080721365543063,-0.14498934732249968,-6.097812074214248,3.4550363323409155,3.4497542939215347,0.5970650463208512,122.56772100567723,2.73021856370728,34.02400234429127,4.791112413495065,-7.971609509770891,36.54989610528003,15.590827960999517,58.95044429052648,7.072745543774871,0.006726873018990589,-0.0034993031668921694,1.5137952460699035E-4,3.4197360967683747E-4,-8.368489816555991E-4,6.174417592080157E-4,-2.961091047161882E-4,1.4821971183147324E-5,1.2475403180619747E-4,31.369827668282774,0.25898029586473115,-4.0292348335394355,1.3563789778291362,0.8917501799406501,1.8288629013883229,1.471424949639588,2.0324198915795946,0.02107874966955915,49.208962564656254,-1.94110759271427,-10.636140941917871,1.207332218368461,0.7157033712465386,0.2812916255394862,1.2304607326949233,1.729603927353533,0.24618042808750376,0.04775713698119236,0.0011159656379575633,0.009726815794742142,0.0040860542986129655,0.0010760994307036356,0.009564632230650448,0.003205702888493016,0.0035316838930420976,-0.0016461916512354848,0.21885659458232753,-0.0160644858011618,-0.050649651265562326,0.003689638827263873,6.713826004997939E-4,-0.0026925444161375323,0.0025107940923687435,0.003066958551959174,6.247499598539916E-4,1.2072074398928139,-0.09985368888304424,-0.27548400179541405,0.018881923641448167,-3.99419689593663E-4,-0.017128685601725417,0.009759989639381118,0.009913087051498662,0.0017407144207604991,0.8946548978516586,0.02007513649784765,0.12887879675867905,0.012776299769320173,-0.02196035677622835,0.10266824748674165,0.04404188689547886,0.16939782842105308,0.020620249398760556,-0.5201975950807025,0.022503698847834923,0.050836935484201075,-0.12440386183789949,0.09178733677072841,-0.04401883369587097,0.002203396903926017,0.018545620149808865,0.008255713056612659,-0.12844300185981866,0.04323833054398753,0.02842700283120381,0.05830006210832452,0.046905739017728425,0.06478900404143827,6.719434321557122E-4,-0.039446220597799134,-0.21614235268510112,0.024534803325352215,0.014544167036770328,0.005716268152775904,0.025004809460841732,0.035148148573158504,0.005002755905777211,0.02336751548563414,0.2036725065527429,0.0855590296424622,0.022532745862203243,0.20027649970761807,0.0671251061334661,0.07395091323068508,-0.03447006573873525,-0.07340188140923852,-0.23142849025053888,0.016858705282814485,0.0030676827526311488,-0.012302779458284382,0.01147232550684807,0.014013553294166207,0.0028546087955278803,-0.08271460693773566,-0.22819939033831158,0.015640993434504234,-3.3086251492049027E-4,-0.014188684591975548,0.008084765978784634,0.008211585452437926,0.0014419348019550431,0.022438972330061816,0.1440542013106469,0.01428070175438596,-0.02454617621717817,0.11475737486407292,0.049227793869163365,0.18934432575938423,0.023048271963050905,1.6176035821426682,1.008404036447404,0.9799041675841831,1.278313868382316,1.1080417273419316,1.346557698076479,1.4473799466285415,1.5670564063891068,1.2279703809952545,1.230573341831768,0.9442887200369268,0.9858631321626293,0.9752834680675362,0.9991933127454327,0.9958489464639225,1.0932998239575005,1.458920308432077,1.3967238265242263,0.9589006170130955,0.9754054174147561,0.9874917780037475,0.9579832355044591,0.9503963720890519,0.983881983361272,0.7229211070454855,0.6950348417234632,0.912599314510485,1.1077440555952731,1.0307452371402397,1.278086622994167,1.3465356075577721,1.6395621733368178,1.5564187079414167,1.440193485448847,0.9651101666171762,0.9863273825032618,1.0053720800255679,0.9698267751702503,0.9701325207316086,0.9852413863172538,1.5726267423480031,1.440339405781535,0.9661533073938705,0.9922142693325224,1.0117227684840513,0.9795577636199163,0.9837461338127904,0.9980901430511377,0.5593279779786402,0.49175041175755807,0.7983710369713571,1.136252095336207,1.1649143649312939,1.1799413681897193,1.0746945420134313,1.5632935643568748,1262.3888916116734,631.9444458058359,841.5823977474347,1263.8300680822601,24.780981727103132,631.9444458058359,1.4999999999982947,1.1102230246251565E-16,2.1769078914218755E-18,-187.35768290535324,1.8000298327359274E7,352947.0260266524,85.20008433627292,1262.579435816674,632.0375146456328,841.7143832608162,1264.0163785667717,24.784634873858273,632.0375146456328,1.495593474591601,1.6653345369377348E-16,3.2653618371328133E-18,-185.28981085400162,1.800029827939286E7,352947.0250861345,85.20008432268267,1431.6650032136886,714.6355181726701,959.4908985675108,1429.3649173990016,28.026763086254924,709.782712893384,-2.3939668683483433,3.3306690738754696E-16,6.530723674265627E-18,-181.75476023314587,1.800027038113919E7,352946.47806155274,85.20007641830232,1262.7794157786998,632.1351922900063,841.8529068134222,1264.2119152152554,24.788468925789317,632.1351922900063,1.4909688013127607,9.992007221626409E-16,1.959217102279688E-17,-176.1518375609385,1.8000298229109555E7,352947.02410018735,85.20008430843598,1611.4640415743697,802.4851379941672,1085.7572679636623,1605.2249334622966,31.474998695339153,709.782712893384,-6.493765586035465,2.498001805406602E-16,4.89804275569922E-18,-183.22193880264996,1.800025717415885E7,352946.2191011539,85.2000726763794,1282.3452551786377,641.6920301469534,855.4161528226396,1283.3433228384051,25.163594565458936,641.6920301469534,1.0388051152690423,1.2212453270876722E-15,2.3945986805640632E-17,-175.12841701408152,1.8000293583646283E7,352946.93301267223,85.20008299224301,1237.5898128544698,619.2368499385843,822.5563018784488,1240.3081875129744,24.319768382607343,619.2368499385843,3.7469488536144127,4.163336342344337E-15,8.163404592832034E-17,-168.87354414717376,1.8000314145008363E7,352947.3361766346,85.20008881786391,0,11.89,15.999982956973684,-0.3138355174551903,0.2642147482337209,4.440292426109299,8.743883520749161,50.0,136.0,133.0,133.0,47.0,3.0,3.0,0.0,0.0,3.0,102.63780200000019,3.6513693994346754,3.5671817186740324,3.560208946472371,3.525932772654854,3.4971517267279926,3.489437211898155,3.4083882271470163,3.3614784514030474,1.9472274860658032,1.9466130417499625,1.9465102558860257,1.8740917832131299,1.8705851425077267,1.870137159042832,1.7682747582692593,1.7499363986910565,3.581460511262723,3.571765186248672,3.571038853587672,3.518979471607947,3.4853748845652373,3.482681945559566,3.412789974423413,3.3434652437740717,1.8939994882837308,1.889807856819353,1.8894091824855794,1.8370207822165128,1.8159549965170536,1.814282291989511,1.756759392160307,1.6984713948515093,3.733390653298258,3.6978321667260206,3.6960120642591323,3.66930417954555,3.6263249012482737,3.620971106739235,3.563636849721962,3.5028062896835106,1.717449250720744,1.7148616872980185,1.7145678630949117,1.6434567412306462,1.6290368074200734,1.6277917437745035,1.545718774362447,1.4919551600755436,3.594209239791195,3.5901780683513698,3.5897775614126033,3.5199371586040447,3.499632588691248,3.4980005815647823,3.4161958191112496,3.3535482414938773,1.873087612695777,1.8549335906913484,1.8539455235411286,1.825497557632429,1.7856134365128509,1.7819691151096548,1.735161712853994,1.6726497160991316,3.7641908103499357,3.752291132451345,3.7515016368195884,3.7120092769275597,3.67566781951434,3.672671310245497,3.6174685254670575,3.5512593073101226,1.6669408654029272,1.661347418991734,1.660849360844292,1.6016259443552465,1.5761699930143063,1.574169210362677,1.5043386448117977,1.4388591445991232,5.208189435138944,5.20520686570654,5.203570401625163,3.684916326727428,3.611070095960206,3.610952969895281,3.6096288834549224,3.517360578886211,1.799269965257444,1.7989701644417098,1.7989248111724079,1.703465248889793,1.701604563508165,1.7014031008986723,1.5642789719768766,1.5490960663240405,0,0,3,0,0,5,37,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0701495490163704,0.0,0.0,0.0,0.2946278254943948,0.0,0.0,0.0,1.5938136576188953,1.9475233569562123,2.3523476969702526,0.39750463416913856,0.4491850466091677,0.46001913082907026,37.300779105406924,25.02760576530329,18.544570470709463,12.772561181265912,8.867080327333742,6.331362246717693,4.294953896797601,3.0660097760802705,0.7313878255962142,0.5005521153060658,0.34989755605112194,0.24099172040124361,0.16420519124692115,0.11306004011995881,0.07669560529995716,0.05286223751862535,34.39689769706159,22.53627449724392,15.334495187636692,10.111902181777822,6.67774796140944,4.402436422122814,2.85802722857791,1.8605481060701492,0.674448974452188,0.4507254899448784,0.2893300978799376,0.19079060720335514,0.12366199928536001,0.07861493610933597,0.05103620051031982,0.03207841562189912,72.5873901892939,134.16096139839786,127.29019607843111,129.0799999999997,82.21928023952108,1052.6274838323325,0.529834964885357,0.9792770904992545,0.9291255188206651,0.9421897810218957,0.6001407316753363,7.683412290746952,14.087899999999967,215.0319999999991,665.9840847911462,889.0133219160265,1331.9681695822926,26.117022932986124,665.9840847911462,1.3877787807814457E-15,2.7211348642773443E-17,-174.47646681938116,1.8000284578170277E7,352946.75643471134,85.20008044073245,2356,0.0,0.0,6.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,42.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,38.0,0.0,0.0,0.0,1.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,54.300243153924754,-0.8537089347644795,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.509053246907364,1.8266372984378938,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.755361263368714,0.0,41.38814081563975,0.0,0.0,0.0,-0.7567029648353982,0.0,0.0,-0.8537089347644795,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,37.61649214547319,16.68375100845156,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.50563655348072,-0.3067137164620821,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22440900095546581,0.6046575806248425,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.251437983978422,0.0,-0.06291162386795701,0.0,0.0,0.0,-0.7567029648353982,0.0,0.0,-0.3067137164620821,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.473622145618803,5.50563655348072,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.669247854235584,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.909375,0.6173221371882087,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2519616396951463,0.0,1.3610539281230138,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.669247854235584,5.672477901490119,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,100.83333333333334,1.977124183006536,0.909375,12.669247854235584,-0.263059938399381,-0.7567029648353982,22.66617413866039,2.0900362981687315,5.669247854235584,47.111208834586925,2.0900362981687315,5.669247854235584,47.111208834586925,24.49998,0.48039,0.0,0.01961,0.48248,0.7902,0.43161,0.48248,0.7902,0.05087,0.0,-0.05087,0.0,0.60794,0.10635,0.0,0.10204,0.08163,0.0,31.75,0.62255,27.25,0.53431,4.5,0.08824,-22.75,-0.44608,0.0,0.0,84.66491,1.6601,103.59711,18.9322,0.37122,21.91845,0.42977,25.02758,3.10913,0.06096,0.38642,0.00758,0.38642,0.00758,0.0,50.06,6,6,6,6,0,0,0.9333333333333333,1.1469230811828428,1.6608188540990176,2.6317517948849045,3.2195981155423725,3.6580902970926,4.01735391657946,157.12846212204946,227.53218301156542,360.54999589923193,441.084941829305,501.1583707016862,550.377486571386,0.16158324839586682,0.23398300186413143,0.3707720342942186,0.45359024556557176,0.5153668304591323,0.5659813691492723,5.951109001777684,5.437213228861509,4.466280288075623,3.8784339674181547,3.4399417858679273,3.080678166381067,0.16110866341868205,0.23329577210050353,0.3696830424637958,0.4522580089724839,0.5138531503103336,0.5643190294090372,9.917355376170562,16.259064415544227,19.831537355160666,22.30054918264758,24.537475522596573,25.989445314327106,188.1987582996287,147.9036632746668,129.44676739243783,110.67573430718998,94.48193864144301,83.24480523866752,51.0,42.7376290494838,41.01103595585618,51,3,14,5.75,6.672300000000019,0.09575544216968723,7.705561833920649,0.7420811000448542,0.0,0.0,18.81856564579203,0.0,1.6078935375323395,0.0,0.0,0.4099138248797977,2.345974797336829,0.9085602964160698,0.0,0.0,0.0,0.0,0.0,0.0,0.003,1.1199999999999999,1.1100000000000003,1.3809999999999998,0.14500000000000002,23.770999999999997,53.0,53.0,54.0,56.0,56.0,58.0,57.0,56.0,56.0,600.0,3.9889840465642745,4.0943445622221,4.0943445622221,4.127134385045092,4.189654742026425,4.189654742026425,4.30406509320417,4.248495242049359,4.189654742026425,4.189654742026425,6.530877627725885,1.1416666666666666,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,44.0,0.88,47.0,0.94,2,16.0,32.0,1.0,4.5,1.7777777777777786,1.0,0.9600000000000007,0.5555555555555555,0.5306122448979596,0.40625,0.2962962962962962,0.24000000000000019,0.1983471074380163,0.09,0.03354297693920337,0.018867924528301886,0.01777777777777779,0.009920634920634918,0.009475218658892134,0.007004310344827586,0.005198180636777127,0.004285714285714289,0.00354191263282172,0.21961915870114657,665.9840847911462,889.0133219160265,1331.9681695822926,26.117022932986124,665.9840847911462,1.3877787807814457E-15,2.7211348642773443E-17,-174.47646681938116,1.8000284578170277E7,352946.75643471134,85.20008044073245,78.9,831.707750965763,6.672425341971496,5.332718793265369,6.037870919922137,6.767343125265392,7.487173694213739,8.224967478914584,8.955060950631902,9.699840209027421,10.438430013409498,11.189450398019632,175.13285558266966,4.61512051684126,0.0,5.746203190540153,0.0,7.005789019253503,0.0,8.329658067569396,0.0,9.695294188174604,9.996522418503318,722.6424404720024,5.274762339211696,100.14829819927414,1.9636921215543948,16.665593861173704,16.665593861173704,0.0,16072.0,53.0,19.876,206.0,1.2497279411764697,2.1558325022152705,2.8780416451273116,3.6315000094025223,4.904322006488825,5.87623367255977,7.074934340051583,8.074420597081561,9.138869573140793,10.094080879442485,91.44913198103666,94.47439861561521,95.5139689796383,132.22434280538366,174.37182898427218,208.42353939981342,249.89127780735137,288.62954830114177,320.4783150617939,355.03987972321073,301.43945481175894,353.85219936916076,372.22794111144606,509.66840308576207,654.3627271487504,786.7171320233853,933.9239731187816,1080.7512665278832,1214.4232650776744,1341.8050728869302,9.343107064617637,15.886404480968237,20.879102941028105,26.59838471050176,35.8915864991922,43.19228506806201,52.04782723314623,59.834386408398224,67.87863621177206,75.0893336845462,2.1799965156219163,2.795629061154357,3.0448322976451485,4.100769309204566,5.291889674266202,6.3366977030953535,7.4990557716019905,8.62297305038265,9.68829870706379,10.68900404994216,179.30056630957867,332.66371131668694,471.36892535670864,583.9537435191376,797.1363986580535,955.1068298811549,1155.2423783677814,1316.0378634498472,1492.2709419935875,1648.4649395711617,2.7908670343137225,4.5511031471368035,5.276833303614679,7.126869026736495,10.19388820682367,12.145967116182677,15.037450564416785,17.699338940382756,19.61153375087786,21.875329711893073,0.46880884191176403,0.6178677523629957,0.6820404280455334,0.9204198959057799,1.1980650151199974,1.4420979725152185,1.7168548068712877,1.9860195537791043,2.238647272471637,2.4752944480479164,1511.2007723052268,5533.896631886965,44.976085967066844,296.4356349732869,-1085.5236392233758,-37.47882920900141,1214.76513733194,6619.420271110341,82.45491517606825,0.8360092583997106,3.061399189352755,0.024881157397565697,0.16399074160028984,-0.6005210090107037,-0.02073361050822586,2731.7015347263336,10003.273025914816,81.30041045095824,535.8478461924369,-1962.2320512216395,-67.74809618036429,0.07151064714806511,0.08542936506235144,0.06521848911601708,0.6860866336754091,1706.9371789883628,100.69922829015042,0.9442923212407756,0.05570767875922468,3558.3192771261406,59.65164940826147,15.266810132495642,4391.40438015987,66.26767221021024,16.37574788904388,7745.334819588319,88.00758387541563,19.785486438819245,5.110613959348521,5.110613959348521,83379.078070405,67857.45333108638,16264.096178729917,1.2287386864282448,5.126573106438441,4.172224056313066,19.814004762035566,20.18055821866983,40.32736870274375,0.9983277105504103,24.025125768216135,41.33439707533905,18.183992581323608,185.5874462485606,69.67487501243131,9.013579413373943,45.898883049284095,33.315036175992965,144.91488417256147,18.39129859675342,28.473351784464725,133.72816652566732,41.276643374804785,149.27943010130545,29.86072314109683,50.155112767254906,80.02453472908194,57.00175582529671,131.35932756939644,50.82235382783248,73.8186911381286,56.464691252055715,76.79940435822482,94.61221874988907,61.73946940150435,85.08045149276676,54.81998443570285,79.79917084539116,62.236438528447124,68.59961103624889,2.0657848856960306,40.943790082220055,4.201197454932904,47.29823655147413,2.405988377273368,7.268688463832719,12.483648206305599,6.793227527529639,37.406745593187615,3.490820672665126,14.08359604835617,13.406085511337292,12.687403739770653,30.300918604226126,6.125067575989285,18.06283571268503,9.639262823999445,13.034352786859833,25.272723001063707,8.811904142599392,20.675242388254528,7.2580581720672575,16.684704266674185,17.010685053569468,10.856212633209227,19.08378367821372,8.42040780609358,17.741874135437236,14.611017363059139,17.671625942058906,6.526353119110926,40.17825864091715,4.915331875165964,53.463932249722426,5.932535093492031,6.118960135757428,15.24553536949276,7.446020251187963,50.235597887023644,4.84415847782726,13.829019606061667,31.407273645720426,12.814527337873075,46.72207201960207,8.460753033439438,19.213280355481853,16.249600880037278,15.483080246425631,40.31243408096548,14.189949209798208,25.1990051708455,10.90779139875688,20.90590756786199,27.09806153998158,16.969092344597662,26.478119568863242,12.371727352853476,21.69341224991618,20.897863715463235,23.847150775873015,22.69310422820052,42.02882459930267,19.369121783218425,175.04884174408892,63.60144342109052,10.129232317400271,47.4166372016767,33.80143833887115,138.9302151821313,17.481209507579276,28.963519379309975,125.84319255958516,43.05356682942616,141.81548192115153,29.18900153146847,52.00143606393001,76.67931051697907,58.28406348630189,124.676550494522,48.18367240612976,74.17669127454977,54.16166254960478,76.89136084328763,90.27061635074087,58.86955331505317,85.10529856497351,53.2298610982383,79.35734233139229,60.60744600951674,65.90691344650499,9.595898474927887,39.856141788804074,5.954586521901337,63.84383113931687,11.453436614293706,5.701992887141684,17.895078747651088,9.302398032379438,60.98375362184042,6.275678160115252,14.593979593836735,45.600235568162475,14.171718342300146,59.97597620509042,10.61279235162447,21.072066450538706,22.600018559738913,18.28270360450208,52.29521420030892,18.686160613983866,29.575760075933314,14.890741099286716,25.37738823087787,35.39642574697122,22.15150597516917,32.535608481133934,16.225134234860022,26.238226185268527,25.924197082382427,29.16250224195022,29.01388784461316,42.05808046176068,23.620329544095174,250.85118925367863,101.39551576444097,10.549413768130474,57.54325363032536,45.52339540385725,184.82968265514418,24.03229274178296,35.017490998625355,170.93103058133465,54.70380381662908,188.81837860948357,38.807946410305355,63.4698163221983,107.91507515385443,75.80567072711374,166.0564382333652,65.45360748675392,93.72133689562033,77.63176184385216,101.50755082059811,121.22134261610346,80.20937231264405,108.19896117009502,74.00626569075958,105.9640644053057,77.89496965137492,86.28116759372857,15.859869570149296,43.7744888470769,26.630663614622204,133.62798363459135,52.30261024360846,17.273057379359706,50.2435616009073,42.76195522495284,109.47560633628535,15.420689592037263,30.6089657221293,88.21616510539184,60.847346904738714,109.55606308203824,26.522453322358825,55.185123502764185,65.69740844342003,64.13601481641443,97.18330218951692,36.96718613935969,69.23953648062731,48.816453038531364,75.95527405765898,75.62722931106788,46.85627829511103,75.73425420069395,51.91369085810758,74.61337478331976,58.684999079532474,56.168946526441204,109.45612388847832,25.527917136725414,0.8842742165178357,0.8056044832361859,0.18788719865488157,0.4415080281421704,0.3028107035574718,0.4700178001949376,135.86831524172158,2913.549767852199,5520.24548017234,0.708406724854279,1.2143365318945798,93.43486168242967,22.122890406374104,0.5231054051971941,0.8049118838328565,0.19058172797799508,0.3221862906638934,0.229488370536488,0.16191288431684803,116.08085749400097,2127.498089865205,3324.863559373948,0.7073678257492847,0.7135875455172295,103.47652534161301,24.11845321733516,0.6194821673313665,0.8070581489440677,0.18811024186128883,0.39472838319307296,0.2709007105791894,0.2302571661383628,128.21446072627953,2574.736549402386,4248.988774418833,0.7105872234161014,0.8958862599106252,107.61074226222111,25.177872332856534,0.8831052588596321,0.8050374632705188,0.18835601397489557,0.4268204164915806,0.2948846216984056,0.468391550023423,133.67171985393728,2826.67585418773,5353.041378673548,0.7075561949057783,1.1900965882134091,107.21038339118488,24.886631507333366,0.6787741229674922,0.8074543121249019,0.18743350493896307,0.42359395382118253,0.287857035110061,0.27693454834437775,132.77578902148574,2757.7693406507174,4701.585968205345,0.7111814681873531,0.9883855372756212,109.74927833803716,25.62354660669472,0.9224022013875591,0.8052319999465358,0.18800032211857437,0.44387796679034264,0.30509220769826306,0.5114048189276706,136.29522714611946,2937.03394028288,5667.277044554345,0.7078479999198038,1.2603749934162765,107.97584348088947,25.260126216974182,0.8939223995805214,0.8050095455414664,0.18832585206750874,0.4297116022431374,0.29677402118202784,0.4798117697543011,134.12989209744418,2846.5860524542686,5418.874481325154,0.7075143183121997,1.2062973931794665 +UMLCN0130,L,isobutyl oleate ,CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C,Esters,Olefins,C22H42O2,NREL (2014),Other Ignition Delay Method,PubChem,,60,0,-1.6095000000000008,2.5904902500000024,86.96939999999998,68.32930599999995,0,0,66,24,42,0,22,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3728.421351999997,3970.2720830000044,4670.306420000012,4494.267026000027,4169.400129000031,4131.5020610000165,3681.512794000001,3400.186881,3203.430152000001,11055.670658513069,14197.464428775851,18995.46405719004,20040.833330647245,18731.134119771803,17842.43913815261,17161.36389651715,16035.488700980435,15028.690356025309,474.7702719999995,479.85251600000043,901.1539280000011,1223.9087840000025,1210.4276760000037,1034.0056520000023,1040.3162800000025,1001.2259400000028,938.3410400000024,81.31595000365779,106.56488101999989,154.5817486283762,172.31381642488358,160.79406229567562,150.7184326318463,147.03546675214824,140.14068483493998,131.11915597554372,10926.919790603459,9427.064110986797,19320.82912557633,28028.0609386036,28020.716479811366,23480.195013605717,23602.80008011797,23231.751089193465,21752.795934154885,161.55555555555554,140.91666666666669,243.4166666666667,300.13888888888886,298.0,271.24999999999994,275.0,232.75,220.83333333333334,56.491232606060564,61.08110896923084,37.663761451613,26.282263309941676,24.81785791071447,28.690986534722338,25.56606106944445,24.114800574468084,24.26841024242425,167.51016149262225,218.42252967347463,153.18922626766164,117.19785573477921,111.49484595102264,123.90582734828202,119.17613817025797,113.7268702197194,113.85371481837355,7.193488969696962,7.3823464000000065,7.267370387096783,7.1573613099415345,7.204926642857164,7.180594805555572,7.224418611111129,7.100893191489381,7.108644242424261,1.2320598485402696,1.6394597079999982,1.24662700506755,1.0076831369876234,0.9571075136647358,1.0466557821655993,1.0210796302232517,0.9939055662052481,0.9933269392086645,165.55939076671908,145.03175555364305,155.81313810948652,163.90678911464093,166.78997904649623,163.05690981670637,163.90833388970813,164.76419212193946,164.79390859208246,2.4478114478114477,2.1679487179487182,1.9630376344086025,1.755198180636777,1.7738095238095237,1.8836805555555551,1.9097222222222223,1.650709219858156,1.672979797979798,0.34405712672595995,-0.16542043499631598,0.01228677185913767,0.015204781060709004,-0.06641521111568321,0.06088043397557361,-0.032732652638473664,0.005868921014570073,-0.020230630250332303,1991.5469917575765,-19.907325367304082,-491.2309133627115,-90.74129131129166,111.51453688980824,-17.68386065289045,-472.6029994104653,-1.7660058760328425,-3.6232792727270535,3280.9551750105597,-151.6802465557781,-1151.642820539945,-392.392044854109,580.2785322785016,-124.70895452094464,-451.82789955501534,3.939085527535134,3.249438749481932,2.317104484848477,0.05903212855829431,0.8320531496785912,0.03475389531680434,-0.5143732341597846,-0.04836142148760708,-0.6138073608815509,-0.049121157024784645,-0.05844218181817473,14.615489296360504,-1.0188021372620537,-5.28998049557396,-2.4686201713935363,3.466886023400854,-0.8980140004058592,-0.9546816824017124,0.00726378972603528,0.007112707636372423,80.24325696016052,-6.108163573504441,-28.531952661958435,-14.652118159334417,20.118859281996713,-5.504475402465185,-3.550231056989677,-0.0027985443254419096,-0.0028017214696642867,44.222222222222356,0.02777777777778001,10.972222222222221,-0.30555555555556235,-7.555555555555573,3.250000000000006,-14.33333333333335,-1.9166666666666772,-1.8333333333333446,0.005212986768575151,-0.002544929769174092,9.908686983175539E-5,8.891684830823979E-5,-3.953286375933525E-4,4.2278079149703896E-4,-2.2731008776717823E-4,4.162355329482321E-5,-1.5326235038130533E-4,30.174954420569343,-0.3062665441123705,-3.9615396238928344,-0.5306508263818226,0.6637770052964777,-0.12280458786729478,-3.2819652736837868,-0.012524864369027252,-0.027449085399447376,49.71144204561454,-2.3335422547042786,-9.287442101128589,-2.294690320784263,3.4540388826101287,-0.8660344063954489,-3.1376937469098287,0.027936776791029322,0.024616960223347972,0.03510764370982541,9.081865932045279E-4,0.00671010604579509,2.0323915389944058E-4,-0.0030617454414272895,-3.358432047750492E-4,-0.004262551117232992,-3.483770001757776E-4,-4.427438016528389E-4,0.22144680752061371,-0.015673879034800827,-0.04266113302882226,-0.01443637527130723,0.02063622632976699,-0.0062362083361518,-0.006629733905567447,5.1516239191739575E-5,5.388414876039714E-5,1.2158069236387958,-0.0939717472846837,-0.23009639243514868,-0.08568490151657554,0.11975511477378996,-0.03822552362823045,-0.02465438234020609,-1.984783209533269E-5,-2.1225162648971868E-5,0.6700336700336721,4.273504273504617E-4,0.08848566308243727,-0.0017868745938921776,-0.044973544973545075,0.02256944444444449,-0.09953703703703715,-0.013593380614657286,-0.013888888888888975,-0.4881903373542783,0.019007696399513115,0.017056795318232343,-0.07583534260559929,0.08110145110009483,-0.043604577924011914,0.00798458832578239,-0.029400103469511787,-0.010149693677866766,-0.1312856870859886,-0.017585803742593036,0.02199761418177988,-0.004069752224168486,-0.10876454784125776,-4.1507483969849626E-4,-9.096645190203228E-4,-0.0469417534209338,-0.18682705065378225,-0.04616020429821139,0.06948176798896218,-0.01742122881087995,-0.06311813976409543,5.61978804907629E-4,4.951970655117947E-4,0.025868628516084607,0.19112949024024548,0.0057890286109563375,-0.08721022312786014,-0.009566099267466883,-0.12141376255450755,-0.009923109709532543,-0.012611037223467387,-0.07077943100779088,-0.19264731565322332,-0.06519116456426403,0.09318818618708709,-0.02816120225879207,-0.029938268154759053,2.326348244462459E-4,2.4332772896435302E-4,-0.07729166980184246,-0.18925405667743017,-0.07047574730050779,0.09849846422602543,-0.03144045562253014,-0.02027820524859148,-1.6324822395261572E-5,-1.7457675422218317E-5,6.378044066486771E-4,0.13206151726373763,-0.0026668429868641967,-0.06712132089016505,0.03368404522613062,-0.14855527638190927,-0.020287608254036187,-0.020728643216080467,1.5824093760938078,1.0144797130393852,1.0084269196023885,1.340330072238117,1.1058326912151524,1.1001843497137755,0.7872880615192337,0.8613197127115818,1.288567337663093,1.2444607707941908,1.0044521899901449,0.9721866388714919,1.0126252662586557,1.1363595798536807,0.948431946708759,0.9532288874500543,1.4566942975840433,1.352414596564761,1.0383145209227778,0.8615769757017785,1.0293062992838424,1.0532682743690238,0.9772404200141916,0.9762936668313436,0.7486636927006936,0.7334379045818684,0.9504687147422465,1.455250671340943,1.0183454663575622,1.4070144892695795,0.7543533200261399,0.795706391550753,1.523386971886966,1.3767417340733494,1.0579094655529435,0.8320900574978761,1.0425955183858588,1.020738043016535,0.9772380054044365,0.9760510887357101,1.5346291852574934,1.3758518187199762,1.0628753059626435,0.8310022326316199,1.0466359641614231,1.0153706546244436,0.9741534603791371,0.9734760286308903,0.6344221105527619,0.5380227751661518,0.843086044256367,1.246625613184969,1.1806427973199294,1.8534730946398603,0.7618544851919148,0.8045197578803083,357.9207316706141,179.21036583530696,285.5613720188396,358.3790650039473,14.932461041831136,179.21036583530696,0.49999999999982947,0.12395663611875618,0.0051648598382815075,-5.010776359821991,249.91067077229349,10.41294461551223,13.250648489036456,357.9466904488794,179.2226108035383,285.577311523365,358.4036773438936,14.933486555995561,179.2226108035383,0.498531158197153,0.12382204852358736,0.00515925202181614,-5.0133836079849114,249.8042553378361,10.408510639076505,13.249626318061711,381.1237518378982,190.16288144089086,300.1316694389515,380.3922619614582,15.84967758172742,190.16288144089086,-0.7979889561165407,0.004231535405351983,1.7631397522299927E-4,-13.116456892311845,226.05257112714827,9.418857130297845,13.009842210787971,357.9739351212248,179.23546236083132,285.59404145874953,358.42950892162617,14.934562871734421,179.23546236083132,0.49698960043778584,0.12368079524397707,0.005153366468499045,-5.016123034350368,249.6929987055092,10.403874946062883,13.248557179363393,406.04001464789525,201.93771305960843,316.5228708139067,404.0558084966067,16.83565868735861,201.93771305960843,-2.1645885286783937,0.12205587927758871,0.0050856616365661965,-5.047863149389646,742.4803914995853,30.936682979149385,15.863991507776092,360.6415609379331,180.49391465484467,287.2363657896701,360.958973612043,15.039957233835125,180.49391465484467,0.3462683717562527,0.10985644810509154,0.004577352004378814,-5.300593878462513,240.61766082988532,10.025735867911889,13.159702089911212,378.6101608420918,189.39512407307478,302.84396942906744,379.3298442836498,15.80541017848541,189.39512407307478,0.9595779220773863,0.15458607280651315,0.006441086366938048,-4.4808101573429875,216.483003453746,9.020125143906084,12.906028892096334,0,11.890000000000002,15.99592571775816,-0.3154347065449431,0.2615414727406109,4.3511400870338,7.804828080165476,23.0,65.0,63.0,63.0,21.0,2.0,2.0,0.0,0.0,2.0,48.788693999999985,3.598228946444032,3.559786350741119,3.4623791066621807,3.381112118655439,3.2729732821017476,3.139149673406195,2.9409708284164644,2.7387153683338012,1.9468490355540184,1.905467936686136,1.835748445881721,1.8066490626822156,1.7102134082594866,1.57400917918867,1.4368157033173414,1.288469816634493,3.6043693702760637,3.5320294013491753,3.4682504323631824,3.4038833250653324,3.27875278198241,3.1402878798076292,2.9353442409871238,2.7508780736641434,1.8934455865518756,1.8528290898843434,1.7971527058006487,1.7454274005430577,1.6500231420396636,1.5187069124224992,1.380916220678734,1.2367655943938993,3.7165279244538225,3.6744206619673867,3.6097290282789203,3.5361985417356445,3.4301665500187086,3.3022369945471155,3.129464110267069,2.9589363910331086,1.7322161745889773,1.6703787296857562,1.6032786608988636,1.557519812514671,1.440946410499257,1.300217098651632,1.1219092905612318,0.9558658235133143,3.6212979067080466,3.544429902206278,3.477915649131727,3.4232408372042835,3.2959896909207886,3.153926652306429,2.9483962200299216,2.767977439655984,1.8618556691927655,1.825958348503039,1.7726128838923656,1.7065764870960733,1.6132679649263364,1.48780464934819,1.3473140560549637,1.1996897722682136,3.7659422908973132,3.717802563443675,3.6602416389716876,3.597244297361672,3.491032781258007,3.3598307552783524,3.1964969527191625,3.036620523690717,1.6838500249951214,1.6193488595882473,1.5563902071832245,1.5001268618027943,1.3810722240756736,1.2429520397472567,1.055988718291957,0.8847969806674678,5.0308754422980355,3.6932122392650992,3.57292788704815,3.5238310776568795,3.4524960701297616,3.288306290704478,3.1406151072259254,3.0182587442978583,1.8204518182830962,1.787673876620077,1.6531308048046522,1.6309277233329342,1.54657155733069,1.355726283012095,1.2101137902603127,1.0110976118971822,0,0,1,2,0,4,14,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696923425058676,0.0,0.0,0.0,0.46717385556274205,0.0,0.0,0.0,0.696923425058676,0.5731929314592376,0.8076775358252054,0.24999999999999997,0.1663151596484467,0.19973579050599732,17.88262259973711,11.663902460147016,8.814791437730165,5.537293031334987,3.626308320881552,2.6546694075041235,1.553044131810806,1.0356680370853948,0.7451092749890463,0.5071261939194355,0.3672829765720902,0.25169513778795394,0.17268134861340723,0.1264128289287678,0.08628022954504477,0.060921649240317344,16.65514910629482,10.470362339942671,7.411148247922967,4.220356825967217,2.67185910074931,1.7666081423759037,1.0832169445431448,0.6826167136492968,0.6939645460956175,0.4552331452148987,0.308797843663457,0.19183440118032805,0.12723138574996715,0.08412419725599542,0.06017871914128582,0.040153924332311575,34.80798208833704,64.30589949016762,60.93333333333323,61.760000000000076,39.73012335329347,506.6450934131737,0.5273936680051067,0.9743318104570852,0.9232323232323216,0.9357575757575769,0.601971565958992,7.6764408092905105,7.149290000000009,104.97900000000008,189.92745185917207,301.914695302666,379.8549037183442,15.827287654931006,189.92745185917207,0.0982498905140432,0.0040937454380851335,-5.568578742226251,316.83278738059124,13.201366140857969,13.820097960250855,738,0.0,0.0,2.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,19.0,3.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,15.0,0.0,2.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.624541635287116,4.695549520430299,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5052542703485512,0.0,0.0,5.8480760008336725,1.149423368788899,0.0,0.5052542703485512,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.398149352489887,0.0,17.848368105901734,0.0,4.722098191159407,0.0,0.4333913858909644,0.0,0.0,-0.026548670729108936,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.450047235232091,5.174494400055027,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.174494400055027,-0.026548670729108936,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2513125228739823,0.0,0.0,0.21259071167196744,0.30796889348025713,0.0,0.2513125228739823,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0648169196258754,0.0,0.5594325834098561,0.0,2.3564719790324045,0.0,0.4333913858909644,0.0,0.0,-0.026548670729108936,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.450047235232091,5.174494400055027,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.450047235232091,2.365626212127003,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2539417474745689,0.0,0.0,0.5597050045913683,0.5194926697530864,0.0,0.2539417474745689,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2685155132381363,0.0,1.4123637339274053,0.0,2.365626212127003,0.0,0.4333913858909644,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.450047235232091,5.174494400055027,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,46.00000000000001,1.916666666666667,0.5597050045913683,11.450047235232091,0.0150695384561228,-0.026548670729108936,12.877036142421364,1.6932153373957757,4.45004723523209,14.48957835787282,1.6932153373957757,4.45004723523209,14.48957835787282,11.66666,0.48611,0.0,0.01389,0.46869,0.76389,0.42973,0.46373,0.76389,0.03896,0.00496,-0.034,0.0,0.63636,0.07793,0.0,0.15714,0.08571,0.0,14.75,0.61458,12.25,0.51042,2.5,0.10417,-9.75,-0.40625,0.0,0.0,30.53554,1.27231,36.55928,6.02373,0.25099,10.07312,0.41971,11.66389,1.59077,0.06628,0.25011,0.01042,0.25011,0.01042,0.0,23.02,2,2,2,2,0,0,0.8636363636363636,1.0961391592565068,2.037717655648882,3.3693491559661055,4.1567095523288975,4.546002407395106,4.6214221957085515,72.34518451092946,134.4893652728262,222.37704429376296,274.3428304537072,300.03615888807695,305.0138649167644,0.1813480619580859,0.3371252131165073,0.557433729408056,0.6876966442370385,0.7521022484016338,0.764579890796245,4.948254960101947,4.006676463709571,2.675044963392348,1.887684567029556,1.4983917119633476,1.4229719236499019,0.18069947949014376,0.33591950129159037,0.5554400949571004,0.6852371308466064,0.7494123915200868,0.7618454082373622,9.203044451924114,18.691051767195574,23.22369050937293,25.832019605650895,27.01627619547654,26.426093723743932,89.61234858606497,58.499991892278146,46.074191461495886,34.55140989487726,29.882990058107936,31.214022582127946,24.0,19.32638888888889,21.0,24,3,18,3.6599999999999997,3.239799999999999,0.31282279570627786,5.52846156955133,1.430709410597889,0.0,28.42338870952683,4.479465364172266,0.0,0.33333333333333337,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.464,0.45,0.6190000000000001,0.201,11.054,24.0,22.0,21.0,21.0,18.0,17.0,16.0,15.0,14.0,215.0,3.258096538021482,3.367295829986474,3.332204510175204,3.332204510175204,3.4011973816621555,3.258096538021482,3.258096538021482,3.258096538021482,3.258096538021482,3.295836866004329,5.659482215759621,1.330232558139535,0.47619047619047616,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.0,0.782608695652174,21.0,0.9130434782608695,2,11.0,21.0,0.9090909090909091,2.5,0.8888888888888893,0.375,0.40000000000000013,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407406,0.060000000000000026,0.049586776859504134,0.10869565217391304,0.037037037037037056,0.017045454545454544,0.019047619047619053,0.00793650793650794,0.006802721088435373,0.0055147058823529415,0.0046296296296296285,0.004000000000000002,0.0035419126328217238,0.24107952476628366,189.92745185917207,301.914695302666,379.8549037183442,15.827287654931006,189.92745185917207,0.0982498905140432,0.0040937454380851335,-5.568578742226251,316.83278738059124,13.201366140857969,13.820097960250855,26.3,401.37565646939146,5.584962500721157,4.553876891600541,5.231108616854587,5.942799375126701,6.634633357861686,7.347943823148687,8.047189562170502,8.761080103868347,9.465060106725137,10.179489173338517,113.1631810106947,3.8501476017100584,0.0,4.962844630259907,0.0,6.19644412779452,0.0,7.48605261786314,0.0,8.80941494391005,9.1248914101437,338.3184805840012,5.126037584606078,46.48273939891564,1.9367808082881517,5.423082951851042,5.423082951851042,0.0,2194.0,22.0,9.591000000000005,94.0,1.2351965904847655,2.1417834872343815,2.899574125384666,3.6485179796087244,4.997945181800343,5.984396177376472,7.224890453799001,8.357525419081043,9.632608585487077,10.79254571222459,87.5667844926386,90.39087145319337,90.20049249988851,114.42031303676046,165.4396434825625,179.2358953108533,199.5242802806076,230.50204576199886,262.08697049551085,291.28393018846145,296.9416881352844,352.891204153033,373.47955429016844,477.58990665862524,679.4462909955776,790.2926932916808,893.6031628832782,1032.7149245924438,1173.7282080909245,1313.1672206632597,9.169196941185074,15.642184881234154,20.829808647639098,26.47335102932314,36.0307152995661,43.37280380074009,51.51024187717519,59.64855490391405,68.78395321715227,76.69676487238608,2.168353165596931,2.8138524304984136,3.1090139697195185,3.93688297238904,5.591811809906713,6.597789732199123,7.620125285532858,8.80644078461448,10.023732895727116,11.275685103294585,176.90975452441032,329.95934554382023,471.30587218790487,594.7142769780579,805.3673958660397,965.9967902953348,1177.7320181384632,1361.8714663606654,1574.2504033555933,1759.4654419780352,2.764678052429291,4.364049549728692,5.231851310829865,6.753937950556447,9.64771231926166,11.606214342134116,12.274567382417185,14.37960530801961,16.934178030879657,18.199054772004825,0.4612714907716294,0.6124185020263131,0.6877671475096085,0.8740656479893142,1.2313395341090858,1.4550070955664138,1.6655467969289832,1.928196228091317,2.200733443450856,2.4641751257899793,870.3488904206949,1399.1948841332865,29.611081101894815,189.96735446744003,-305.396322611152,-21.000174901779648,680.3815359532549,1704.5912067444385,50.61125600367446,0.8208389663147321,1.3196014782183252,0.027926650416469696,0.17916103368526803,-0.2880238080699894,-0.019805576876731904,922.845067233426,1483.5890654108953,31.397110321039122,201.42547194024925,-323.8166819937021,-22.26682659384905,0.1626363724331899,0.19615556100371487,2.905146527840303,2.1060304527056863,999.194015449745,61.1222294383896,0.9423547175353912,0.057645282464608566,1587.8613791755265,39.84797835744652,11.666417884739342,2007.3710389702462,44.80369447902981,12.614669734633377,2888.97585003427,53.74919394776325,14.24233851010767,5.641721494115635,5.641721494115635,22375.067829124564,22251.16412432422,217.13163721778983,1.005568414493195,103.0484001126085,102.4777614604619,9.406550795461898,14.526598812178989,27.83530970332466,0.916161522956616,16.6935039217125,19.027613828570342,8.348914170204615,83.38925107674163,39.84520161016455,5.501193118914138,21.8355451447058,13.620904969217923,65.97909489042463,0.7132421907234407,4.8576536745361585,53.73983204468131,6.099407244493153,74.87868087313478,1.3046905882709787,5.687626058522188,37.59363257164485,1.531069823188152,69.12165726670699,0.8586688953213101,3.189097372152521,28.78466289331616,2.0368810823906083,65.42537786011063,1.323695233952461,5.241500139718386,16.183378575725516,3.117258523921394,45.56810895774485,1.8241195945283473,1.4083756807911205,19.300503992328135,0.7213269390976604,21.669644749852583,1.166430880186547,0.5261351331014141,3.222673211638181,0.22636870740953952,18.906953495613667,0.007499452275877207,0.5611588322353356,5.45984048155907,0.17125361364663388,16.979986240222935,0.014091916823579917,0.5535480803126274,2.6557642883129495,0.09536355909117772,14.077922725266578,0.051803294555247584,0.7335397143482295,0.769661664548973,0.12260094928677497,10.237586324151033,0.08560379072694432,1.6387289901048439,0.30380988723971036,0.14507806829697767,7.232562381589142,0.07616877978009927,4.525140426583488,18.763390662319676,2.1529856148267896,25.019836277808732,3.4092614269032246,1.5280919280779723,6.539656983568376,1.205903434346699,24.236075682170057,0.05870899950481595,1.0485880799072498,13.31368040046009,0.7379659969727851,24.951447814785148,0.1083533366593805,1.0396724567293305,6.4924302229576885,0.3296204428393704,21.312396386789775,0.18057647384532138,0.9603661025375263,3.4454880156235568,0.4275482135159649,17.746478670124777,0.29313211797095184,1.9412099007178827,1.5893932684883096,0.54404029286807,12.543805580491451,0.2965648685206273,15.759598218433847,19.314125685330346,8.211698645861915,77.73054223676823,35.94479846095284,5.212061718190529,21.609328498784087,12.43428561767546,63.859608893178766,0.6371908213263285,4.791171903837656,50.53173112048553,5.600106144687799,72.00303186507462,1.1658317440503618,5.193235447551649,34.71944191440398,1.4224437548459723,65.77562257003724,0.7965639833105185,3.0174641247461316,26.066107153727827,1.8893387712645937,61.590837638671005,1.2319125424212902,4.9743909731443985,14.679156266400993,2.861821663989551,42.940473434020205,1.6688582261595453,6.665822517867659,18.560296050036843,3.0782560876650433,29.98272655042766,6.604927285639337,2.2167691153072844,8.696743144565051,2.3360383912426412,28.851234783467397,0.12143111318202224,1.4181757532904402,19.299383132915217,1.2948942459559518,31.26000117177512,0.22329308381488683,1.5411286086212883,10.111206322496344,0.5078723513482458,27.330014441752606,0.27964218715396383,1.1915634741234336,6.169060278689392,0.6623601191766046,23.883390179489837,0.4490124067412271,2.2809239380182382,3.0122912347402107,0.8795927282545131,16.844216155475767,0.48835924520747115,20.159831654733047,19.217880017508786,10.388256801437041,112.20314237134046,57.91600636995419,6.64724106272198,27.099407086191952,19.719453960406305,83.21506186452125,1.0321210994122951,6.563544711351434,67.63569964181991,8.56771575267113,94.04356700253165,1.8867767953648455,7.788908310429833,50.67203699478741,1.957154841110608,87.65207185443835,1.1030457480713318,4.167377315691161,40.35204866480137,2.61763010899781,84.1373505424268,1.6816779715810128,6.6706078376825735,23.170267766610337,4.146472523304011,58.39888345525915,2.4537702971051307,10.494842273785983,18.681750007460927,5.988665171256911,50.81661854882184,17.80127024259376,3.7434924816378103,16.512017677788762,6.671813725806885,53.456783732339964,0.2810786051234477,4.490380631774501,33.535241419042734,3.2331153715246725,55.37179280902507,0.5133248637634943,2.67169312224226,21.45257503132491,0.7996455412526313,48.02770492687579,0.44405796187417124,1.9849948349378386,13.156496403214556,1.14627151181122,40.26810648798686,0.8893059636430417,3.5538141448954588,7.668358765937163,1.5051337605349835,29.048511484648554,0.8590559463853115,70.26573238883357,0.9618849500348686,0.519980180566786,0.9793461358730479,0.01340651092566981,0.574508834445901,0.5593195777298856,0.42694027635216847,71.74759751943523,104.62449981320336,211.51628403945384,0.9690192038095717,1.560768688527955,66.0979292529015,0.5083303033482838,0.13792837283716652,0.990317378992279,0.007616098406776101,0.5083920483073128,0.15343447413660577,0.030252655129522948,66.74418792908695,42.786473429184326,114.1649968146921,0.9854760684884186,0.6920791775734415,67.52971181056066,0.6559877366807231,0.28863025159139394,0.9862047866543963,0.009580053409911653,0.5306386121884177,0.25772881306647444,0.13057222487973716,68.47432979883278,63.97911842456666,145.23938241521327,0.9793071799815946,0.9189396501346293,70.16848021894486,0.9544053220360473,0.505240363113819,0.9796218920050451,0.01332444916001198,0.5729137423396676,0.5506111523967044,0.404462008515866,71.62812590409473,102.9033234765699,208.36697763399826,0.9694328380075676,1.5279869032522382,68.26884648567847,0.7342878161094075,0.3596357234593438,0.9842289525177473,0.010586195099217283,0.5423246844669888,0.3234162407801012,0.20188687209611286,69.36277002524722,74.94497431986298,162.33591712282964,0.976343428776621,1.067627797343203,70.6319058887861,1.0038751565814643,0.5488962064526293,0.9784889062034986,0.013907039482623038,0.5805108589639906,0.6099430534808465,0.4766762468400386,72.18467725182018,110.2262240458258,221.3307247077561,0.9677333593052477,1.6671301592848757,70.22504482677908,0.9622409436889685,0.5076833244023572,0.9794975256053707,0.013421317504380017,0.5738351368200529,0.5587546435308129,0.4083839185574738,71.6949690948704,103.71401129985185,209.71487555324532,0.9692462884080559,1.5409736989083398 +UMLCN0131,L,butyl myristate,CCCCCCCCCCCCCC(=O)OCCCC,Esters,,C18H36O2,NREL (2014),CFR,PubChem,,69.4,0,-3.686099999999998,13.587333209999985,65.20129999999999,57.288547999999956,0,0,56,20,36,0,18,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3145.268483999997,3320.573071000002,3824.866743000003,3652.354801999998,3483.7878009999986,3243.1511079999987,3056.5167149999997,2712.0014209999995,2472.960099999999,9175.10058493016,11814.977123555414,15637.262151445453,16276.319809616365,15309.213748188444,14390.479817161771,13649.156173320978,12775.450167380255,11709.113397134312,404.29742399999975,406.98466000000025,772.1196360000009,1045.3341200000027,974.5177000000025,911.4929680000023,842.3457960000021,820.0073000000021,769.0196800000017,67.492672574564,88.72801515999993,128.16796681382877,140.65136380633598,130.92091929954378,122.77017411614771,116.82283703905372,111.00227640505373,103.04412101675175,9310.236454097965,8001.151400349403,16600.878911924614,24215.43745599696,22367.180246253687,20893.73784787336,19255.007297262327,18853.808794027682,17928.806721046138,141.77777777777777,117.5,207.58333333333334,246.66666666666669,245.41666666666669,230.25,216.33333333333337,204.58333333333334,177.33333333333334,56.16550864285709,60.374055836363674,36.08364851886795,25.016128780821905,25.80583556296295,25.739294507936496,26.124074487179485,23.7894861491228,22.897778703703693,163.84108187375287,214.8177658828257,147.5213410513722,111.48164253161895,113.4015833199144,114.21015727906168,116.65945447282887,112.06535234544083,108.41771664013251,7.219596857142853,7.399721090909096,7.284147509433971,7.159822739726046,7.218649629629648,7.2340711746031925,7.199536717948736,7.193046491228089,7.120552592592609,1.2052262959743572,1.613236639272726,1.209131762394611,0.9633655055228492,0.9697845874040281,0.9743664612392676,0.9984857866585788,0.9737041789916995,0.9541122316365902,166.25422239460653,145.4754800063528,156.61206520683598,165.8591606575134,165.6828166389162,165.82331625296317,164.57271194241306,165.3842876669095,166.0074696393161,2.5317460317460316,2.1363636363636362,1.9583333333333335,1.6894977168949774,1.8179012345679013,1.8273809523809523,1.8490028490028494,1.794590643274854,1.6419753086419755,0.31678534030316996,-0.16298776839977036,0.026273362576390163,-0.00853035272762365,-0.007433513899560659,-0.015480351624852784,0.021186342262223847,-0.01640156601079585,0.0020466237875234735,1700.0694437142863,-20.397227719384325,-480.17084531632213,132.75141160204208,-23.972854311223195,-69.32470721428456,-111.68833740305982,-223.42060691836576,7.986069693878143,2734.480695057914,-154.96821050762654,-1141.3438796251612,147.3433969719852,0.04954932018075198,87.9178219760947,-157.4570991212745,-212.8979512993464,7.552466997002419,2.2545257142857165,0.056015102040809284,0.8285140408163195,-0.038047183673468654,-0.2507587755102083,-0.40231657142857613,-0.2028149387755125,-0.34569020408163453,-0.05593730612244566,12.153614781201446,-1.043563710881444,-5.282500874822388,0.27874734509756577,-0.02444661670936997,0.8458815630822124,-0.6635080983040504,-0.4852365796884057,-0.0315843774990414,66.83411720795125,-6.2619628486299215,-28.562571079592953,0.8083173464780553,-0.29710592578158623,5.2083223696912455,-3.6210947435317746,-1.9555480674776415,-0.3157340660310619,42.22222222222233,0.6111111111111069,11.138888888888879,-0.4444444444444326,-3.916666666666662,-5.7500000000000115,-1.666666666666659,-7.416666666666684,-1.3333333333333228,0.005656881076842321,-0.0029634139709049157,2.478619110980204E-4,-5.842707347687432E-5,-5.506306592267155E-5,-1.2285993353057764E-4,1.810798483950756E-4,-1.4387338605961273E-4,1.8950220254846977E-5,30.3583829234694,-0.3708586858069877,-4.529913635059643,0.9092562438496034,-0.1775766986016533,-0.5501960890022584,-0.9546011743851267,-1.9598298852488225,0.07394508975813095,48.83001241174846,-2.8176038274113915,-10.767395090803408,1.0092013491231862,3.6703200133890354E-4,0.6977604918737674,-1.3457871719767052,-1.867525888590758,0.06993024997224462,0.04025938775510208,0.001018456400741987,0.007816170196380373,-2.6059714844841545E-4,-0.0018574724111867283,-0.0031929886621315565,-0.0017334610151753204,-0.003032370211242408,-5.179380196522746E-4,0.21702883537859724,-0.01897388565238989,-0.04983491391341875,0.0019092283910792176,-1.810860496990368E-4,0.006713345738747717,-0.0056710093872141066,-0.004256461225336892,-2.924479398059389E-4,1.1934663787134152,-0.11385386997508948,-0.269458217732009,0.005536420181356543,-0.0022007846354191573,0.04133589182294639,-0.030949527722493802,-0.01715393041647054,-0.0029234635743616844,0.7539682539682558,0.011111111111111035,0.10508385744234791,-0.003044140030441319,-0.02901234567901231,-0.04563492063492073,-0.01424501424501418,-0.0650584795321639,-0.012345679012345581,-0.5238600441922491,0.04381600173860775,-0.010328495982717106,-0.009733820664550337,-0.021718670034187502,0.032010545375678046,-0.02543334111240024,0.003349941424864639,-0.012216022399542401,-0.14921458914590824,0.029950746920274114,-0.00584934642432396,-0.018123366135450972,-0.03144440126444105,-0.06455646501954229,0.0024357387527701824,-0.0577022959497237,-0.22050772791146744,0.02066764473892235,7.5165248422217465E-6,0.014289582521299683,-0.027560655947179522,-0.038245451851276466,0.0014321161621376006,0.0252973643547999,0.19414528218675725,-0.0064729535887040396,-0.046137621925244766,-0.07931041280494655,-0.04305731189256942,-0.07532082280258014,-0.012865024744114153,-0.08742564378272953,-0.22962346835840472,0.008797118538412892,-8.343870499196116E-4,0.030932966704800224,-0.02613021157912625,-0.019612422551647034,-0.0013475072991834304,-0.09539763499481789,-0.2257778036633854,0.004638941054481094,-0.0018440273431009047,0.034635154001998326,-0.02593246720184788,-0.014373199549167761,-0.002449556708512599,0.01473684210526302,0.1393743793445874,-0.004037490987743213,-0.038479532163742544,-0.06052631578947366,-0.018893387314439812,-0.08628808864265927,-0.016374269005847784,1.610620250354041,0.9851781421792816,1.0098547144948973,1.1657033307188465,1.2422022382452456,1.0429697665724418,0.9673256785210512,0.8093698652758666,1.2958555229290065,1.2582639292552462,0.9344106759612854,1.0063776136560874,1.0273587523829768,1.0299142767947973,1.0522913820432553,0.9372433467799973,1.500821147198537,1.392613296729622,0.9433971188700139,0.9656162395405259,0.9486563797675321,1.019462642406192,1.0108929280975372,0.9598885546219765,0.7378864607570284,0.7188470046424971,0.9558014310749617,1.228918997874139,1.3345888678799982,1.08697617018404,1.1429665405066147,0.813609244436633,1.5835431247212404,1.4239646375161052,0.9530620339864118,0.9638580398584927,0.9291368135096912,1.0190118219748994,0.9912850781937735,0.9608653322231023,1.597131980567743,1.4228982515780215,0.9562909250766678,0.9675628577805705,0.9292583400655606,1.0199617752882553,0.9872758506584661,0.9588071000441747,0.5901315789473669,0.5096511916583899,0.8223233597692841,1.222222222222219,1.3164160401002472,1.287322874493924,1.3864265927977804,0.8061038011695886,253.41302100515605,126.95651050257791,201.79420020675272,253.86302100515582,12.69315105025779,126.95651050257791,0.49999999999978684,0.14404229879615277,0.007202114939807639,-3.8752965617996313,203.41658826592027,10.170829413296014,10.630512070370806,253.43721960394038,126.96787538106882,201.80959647570094,253.88589764631791,12.694294882315898,126.96787538106882,0.4985311581972809,0.14388458354479344,0.0071942291772396725,-3.877487607885371,203.64239936959925,10.182119968479963,10.632731022745782,275.00780998301065,137.10491051344724,215.9499128127295,274.2896199225061,13.714480996125307,137.10491051344724,-0.7979889561161713,0.005817600470609752,2.908800235304876E-4,-10.293734785054063,171.96446522188944,8.598223261094471,10.294575715844172,253.46261680959532,126.9798032050166,201.82575646609553,253.90990744998942,12.695495372499469,126.9798032050166,0.4969896004378711,0.14371906160122538,0.007185953080061269,-3.8797896922245174,203.88096401277735,10.194048200638868,10.63507262758973,298.12312882595415,147.97927014863794,232.02432301170074,296.1749991501438,14.808749957507189,147.97927014863794,-2.1645885286783084,0.13343656871902088,0.006671828435951044,-4.028258109476853,231.93717183089552,11.596858591544777,10.892933047833287,255.94887940377305,128.14757388776474,203.41326554218165,256.2605209383538,12.813026046917688,128.14757388776474,0.34626837175643743,0.1275421825055913,0.006377109125279565,-4.11861625183817,239.62148155450194,11.981074077725097,10.958121036252082,259.53386302831166,129.90177291738303,208.6978341629466,260.35812228757084,13.01790611437854,129.90177291738303,1.1775132275130602,0.2295787518419959,0.011478937592099794,-2.943018326122773,157.30412222704769,7.865206111352384,10.116362031737298,0,11.889999999999999,15.99592369598481,-0.3156858186626436,0.2615174447227853,4.311041013041392,7.616179434324981,19.0,55.0,54.0,54.0,18.0,1.0,1.0,0.0,0.0,1.0,42.22945199999999,3.5851173421904106,3.512092267505701,3.3962372741140827,3.294589357636942,3.1497970181608546,2.927874743742478,2.7273096171663074,2.5883814747699647,1.9468444864562087,1.87277988194454,1.819211124147873,1.74650799969495,1.5935850308112447,1.43555147381327,1.3718092863948654,1.2167610974533787,3.5735562323407373,3.4955582505995357,3.4019683843658983,3.3139450471078056,3.140786622290457,2.924477039588571,2.748629066221547,2.5957189904414038,1.890886228800171,1.8247716702564587,1.7677915131858741,1.6856511016648703,1.5415286794325116,1.3910624789463124,1.2876533487199089,1.1400841181349988,3.70345946462815,3.6448003303621115,3.5556084581684275,3.4624760245242547,3.3175531652768924,3.1299577727902923,2.970613427506077,2.828092939800377,1.7155467900449242,1.6344433173020443,1.5585112750522616,1.4791113107404494,1.3079197249349153,1.1164560521808014,0.9937503605645049,0.8348761324816802,3.5910978787513383,3.50604296743382,3.415111735059681,3.333972316163115,3.152298743796387,2.9359891866015677,2.776347373960969,2.619212685463745,1.8580902057139976,1.802339619770201,1.7343144129826156,1.6474563637427695,1.5124324437572043,1.3580687234027755,1.2332201022530473,1.0931252366970563,3.7545033065243736,3.688763281068245,3.6143022615036133,3.526399002533827,3.375866761621643,3.200189208345765,3.063115099639872,2.915253199985601,1.662567392616123,1.5845113157676478,1.5026066777488662,1.4181987311043935,1.248993446765154,1.0508282318382522,0.9044290483456624,0.7491777806223286,5.145856452654865,3.59758299582958,3.557586007743315,3.498527911411025,3.3431698683942828,3.198223240092674,3.105947773598824,2.864405014534714,1.8128325444273738,1.7161455666013157,1.615389870151935,1.5596408043376242,1.3680892577061168,1.15490018512593,1.0616557248736083,0.9174743179885813,0,0,1,0,0,3,14,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.08333333333333333,0.08838834764831845,0.08333333333333333,14.891058768174391,9.808060412490448,6.925162671831452,4.6009536313038994,3.044149689323991,1.9950997602686853,1.364635716662765,0.8003810964856393,0.7445529384087195,0.5162137059205499,0.3644822458858659,0.25560853507243886,0.1790676287837642,0.12469373501679283,0.09097571444418433,0.061567776652741484,13.923098298725943,8.964690378025045,5.859557476983497,3.7453948993433333,2.336061714580685,1.4969517906830125,0.9787458638690911,0.6087445040667865,0.6961549149362971,0.4718258093697392,0.3083977619464998,0.20807749440796297,0.1374153949753344,0.09355948691768828,0.06524972425793941,0.04682650031282973,29.18249867697939,54.64238892935186,51.756862745097976,52.48000000000005,33.33445988023957,430.8176335329342,0.5211160478032034,0.9757569451669975,0.9242296918767495,0.9371428571428579,0.5952582121471351,7.6931720273738256,6.030800000000007,86.94500000000006,131.73763978754116,208.03520342153348,263.4752795750823,13.173763978754115,131.73763978754116,0.08082565389395274,0.004041282694697637,-5.030921730319191,241.16789371104133,12.058394685552067,10.970986690684562,513,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,15.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.491315164386155,-0.005209121315479903,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.999805357138545,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.3722612636072045,0.0,17.808299359988787,0.0,0.0,0.0,0.0,0.0,0.0,-0.005209121315479903,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.355990153051737,5.135325011334419,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.135325011334419,-0.005209121315479903,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.21127551020408164,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.108776134449105,0.0,0.6045283564814814,0.0,0.0,0.0,0.0,0.0,0.0,-0.005209121315479903,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.355990153051737,5.135325011334419,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.355990153051737,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2634851291580995,0.0,1.4141276400367309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.355990153051737,5.135325011334419,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,38.66666666666667,1.9333333333333336,0.5559027777777779,11.355990153051737,0.0462263832216796,-0.005209121315479903,10.473151643498388,1.6718757879821466,4.355990153051737,12.72715285598672,1.6718757879821466,4.355990153051737,12.72715285598672,9.66666,0.48333,0.0,0.01667,0.47024,0.77667,0.42903,0.47024,0.77667,0.04121,0.0,-0.04121,0.0,0.62232,0.09197,0.0,0.13793,0.05172,0.0,11.75,0.5875,10.25,0.5125,1.5,0.075,-8.75,-0.4375,0.0,0.0,24.39803,1.2199,28.40868,4.01065,0.20053,8.75049,0.43752,9.80805,1.05757,0.05288,0.10595,0.0053,0.10595,0.0053,0.0,19.02,2,2,2,2,0,0,0.9444444444444444,1.1077843849525173,1.5890867722762212,2.6957382668973158,3.4685192615780465,3.884721049103913,4.193416700493252,62.03592555734097,88.98885924746838,150.9613429462497,194.2370786483706,217.54437874981912,234.8313352276221,0.19075541271722687,0.2736334860885671,0.4641938202637335,0.5972631788706165,0.6689312262195122,0.7220872078208511,4.699570537105087,4.218268149781384,3.111616655160289,2.338835660479558,1.9226338729536918,1.6139382215643527,0.19075541271722687,0.2736334860885671,0.4641938202637335,0.5972631788706165,0.6689312262195122,0.7220872078208511,9.474970853405472,15.393275023432775,19.958635542962874,22.331908596030154,24.329891391810936,24.564379378596804,74.34121964820336,58.48835320300183,47.900391937224676,40.4651550842351,33.90105074523896,31.22275816111965,20.0,17.05263157894737,17.0,20,3,14,3.2199999999999998,2.7191999999999994,0.055555555555555566,4.224286835967418,0.24806946917841688,0.0,22.79900670594643,3.201754623471783,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,9.346,19.0,18.0,17.0,16.0,15.0,13.0,12.0,11.0,10.0,170.0,3.044522437723423,3.091042453358316,3.044522437723423,2.995732273553991,2.9444389791664403,2.8903717578961645,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,5.225746673713202,1.088235294117647,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.0,0.8421052631578947,18.0,0.9473684210526315,2,9.0,18.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.16666666666666669,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.07894736842105263,0.03508771929824563,0.020833333333333332,0.014117647058823535,0.010416666666666668,0.005442176870748299,0.004807692307692308,0.004115226337448559,0.0036363636363636372,0.003305785123966942,0.19849826189366754,131.73763978754116,208.03520342153348,263.4752795750823,13.173763978754115,131.73763978754116,0.08082565389395274,0.004041282694697637,-5.030921730319191,241.16789371104133,12.058394685552067,10.970986690684562,26.3,334.8281766667237,5.321928094887363,4.343805421853684,5.017279836814924,5.713732805509369,6.401917196727186,7.105786129481271,7.80016307039296,8.508152446764088,9.206031100388085,9.916749226519313,103.01361723445088,3.6635616461296463,0.0,4.74493212836325,0.0,5.958424693029782,0.0,7.234898420314831,0.0,8.54849804124465,8.86827250899781,284.2715303920008,5.076277328428586,38.64908205996814,1.9324541029984068,5.452144548899447,5.452144548899447,0.0,1265.0,18.0,8.102999999999998,76.0,1.243090909090909,2.1438583192287415,2.8674156268602338,3.6302465197731806,4.937884083779103,5.952453178042108,7.229318945762007,8.308559553661782,9.605213600774839,10.744709060416607,86.4941569707273,85.54622570685993,85.29749952420966,117.94499960094943,147.90609484640137,181.55612671317886,194.8246242107587,215.85134432398442,244.7318360622024,274.0065681318107,292.85042625695394,337.0947560985709,352.1494710577288,482.0109008869507,620.7704032592213,770.8577887043738,874.5375047951121,976.8739869372191,1106.1339944338306,1232.5916828832999,9.244450539490916,15.683386102076375,20.59674713577786,26.40889231369699,35.86609364371018,43.0366991013975,52.151380267252364,59.389088961675284,68.71033822248137,77.02761106672948,2.1422923333287263,2.7135623519950745,2.943190582114312,3.9601079342543546,5.151841653694196,6.4245778489070515,7.434485832267439,8.404384508814267,9.53743183972459,10.615172575385209,178.70297182834105,332.50337459528896,471.78614358185774,587.3002464469577,809.5966631149699,964.4986812705596,1184.134849804401,1364.228001940393,1583.6112824474042,1772.5552792898548,2.7301469696969694,4.337337056840561,4.956885562058076,6.872681387561547,9.226710617654986,11.26342743921176,13.177637049307398,13.970421377721648,16.312715167960892,18.58455355045029,0.4583724545454543,0.5958139451755825,0.6549728180121814,0.8858093388615906,1.1535528772882901,1.4265245784368108,1.6529331113142414,1.8578591301979028,2.1175295807295833,2.3666483411464805,752.0648181453092,1032.9763580547317,22.09951138637331,255.66283469282993,-351.15811496439653,-23.925030136261746,496.40198345247927,1384.134473019128,46.02454152263506,0.7462976886931826,1.0250550881932063,0.021930043622533126,0.2537023113068173,-0.3484652961297663,-0.023741563575118616,757.8765139717145,1040.9588407397841,22.270288738259712,257.6385083229507,-353.8717429681368,-24.1099144632968,0.19034992022571878,0.22978137043500294,1.077524693369649,2.1987546163413976,963.0223721347822,44.70528070335706,0.9556375370096769,0.044362462990323044,1330.9634203830644,36.482371364579144,10.999899228782246,1679.6967193274197,40.98410325147324,11.88712851460004,2390.7829725476117,48.895633471176254,13.37149761973373,4.467093620699455,4.467093620699455,12796.394834569848,12695.241141871858,157.83388597877274,1.00796784334914,81.0750793799175,80.43419233547387,8.07373865447297,11.837186512466078,23.31784304650683,0.9698805135789782,10.053645981267545,15.675236073170586,6.80010015633549,70.1015934996936,25.848755807983572,1.7335709127058527,14.99228643760234,14.045039877249328,50.66505146382643,2.771134194847499,7.078193185835337,44.00409483786401,6.746027820802956,44.744582783865795,3.0490958179773835,13.533842954124463,21.13499779001229,4.744430459959896,33.556025237168264,2.9262053135460793,19.179729762718612,12.677544322631793,6.114945713401224,19.342225531857956,3.2930263998935816,22.732603864815225,6.655704276759777,7.002213259706567,4.1300212342987175,3.8437689742547527,0.8602403612018834,15.825695940563575,0.551913042796749,15.618975335098265,0.2624693016451149,1.6892823727833157,2.1442946601381543,0.7229275487574421,13.824461065534821,0.2402731196523885,4.768379204751154,4.434105284413946,0.7870096562895591,9.612655678278857,0.07070683757218418,4.751671321069762,0.9637142821084896,0.7354572770698012,6.474684278527841,0.10150731976002439,4.679713403272462,0.443064320382227,1.0135875954561802,3.5600643594381887,0.14164939335489884,4.337568450210688,0.2348778737832666,1.367393659513817,1.195026349276633,0.18671919075662874,2.729543312296031,15.544648141930383,1.5480287061042544,19.311459997707498,1.9965574524687906,1.516741796260697,4.1861348236357125,2.104249014217179,17.039693985047744,0.483169885162616,4.741951566737474,9.84663408031963,1.3616573219707715,14.537820115998581,0.3502723787845007,5.719791923890659,3.2435758946738327,1.1063541819430174,10.562888028316323,0.4226087606693545,6.672636046406765,1.6324150489281446,1.505511110334347,5.9457578421378114,0.5460252531025243,6.723318683933835,0.9340708648994929,1.9880031462904681,1.7282561700697343,0.6922694901651167,9.494936801378868,15.825744713009136,6.878135264891992,65.9283652521623,23.297037294677196,1.815652058468522,15.094158017699996,13.396745796885234,49.60432722823485,3.186569171570132,7.083336518885989,41.60966878335352,6.846741590330553,42.52695361185669,2.750588484399487,13.172839195798945,19.81119432170357,4.34167242222854,31.736364577014083,2.6628990927677787,18.600288754197898,11.918613161559003,5.610179195566268,18.251927261330138,3.015590918754762,21.975004682403714,6.130318211291804,6.473574423285572,4.013303484298809,3.534653413868552,4.015262886454126,15.437890548213227,2.1729993499243405,23.721775569018885,4.159714810358823,1.4598916670820055,5.516574631719742,3.287415257575176,20.159620068076215,0.5620172376927048,4.88780282083213,14.316395301434042,1.7712300223070079,18.500207498337527,0.6396903000786572,6.641212389154595,5.22050094997574,1.4938538386760156,13.759397012988757,0.7188920270332617,8.311117110154287,2.7229319633987483,2.006381722640949,7.813783296211506,0.894547209593059,8.706999330983527,1.5743328745480047,2.5713309838291734,2.1050044489073794,1.1108514795254534,12.141256551041893,15.770940194304217,8.838113206952832,95.03019613985829,37.68321479466927,1.8607601393211266,19.0081156495901,19.519317708533457,65.43154827014638,3.985041842345656,8.037085854736283,56.716276332866606,9.372632624512566,56.23395827660333,4.286239257322846,16.388947696429426,28.953029171289522,6.417699102426444,41.98910351957679,4.003729701360079,23.53234950637442,17.803347076626842,8.209254921988311,24.26323598493166,4.4162003681206405,28.670562328195537,9.179014256557576,9.18173428097617,4.8638045568834904,5.085061103929822,6.555286107325754,15.661251260808367,5.377238707277639,47.10800397070954,12.33417809191881,1.9488083813708998,12.457696206419445,10.959556647447211,47.25412865188424,3.152021896183597,6.723325961159424,32.45109904032765,8.1781288058667,32.13490750959367,1.375977834970095,10.47750262183571,14.262519898391922,2.5410670447891874,23.130502249496235,1.4098958297843753,14.240959911009078,8.974890406582647,3.3588949586476424,13.357607601188478,1.6594561148764995,16.24283102175467,3.749987126368125,4.095655420431148,4.004831991485644,1.993771494889634,48.99278073456638,0.8385123292829189,0.5021438624999999,0.9733645013404382,0.016659151063136757,0.55206167969227,0.6325102033040326,0.6071330385125951,50.3334369263493,66.1035286642393,137.0655630605216,0.9600467520106574,1.7917049215088978,44.91492458954424,0.46127310665075427,0.09963659379929996,0.9876657633838404,0.010143257707143258,0.4641074119881543,0.18928467234967092,0.023903709012423054,45.475834289994296,25.23917657841594,72.77928648177692,0.9814986450757607,0.6772957933502483,46.91277282528256,0.5722654113327348,0.26105078451324043,0.9825469224196097,0.011985597628310387,0.5062036817967186,0.29449516334272496,0.1640882768326438,47.74608902112853,39.24256372192911,93.99696757141781,0.9738203836294147,0.9647871219720874,48.716897543212134,0.8358390464503831,0.4857591299424178,0.9735883711653026,0.016703920340333172,0.5458721503128597,0.6285225646290203,0.5681584797831392,50.03849571960493,64.79017940059973,134.60853681709273,0.9603825567479539,1.7425531947250192,47.74445693804981,0.6356243190989268,0.33681957539912616,0.9800388801857371,0.013047306134758576,0.5242898102608048,0.3634758437831104,0.2731632033542611,48.71690083254786,46.642896358803995,105.58144203201559,0.9700583202786058,1.1609288573981762,49.204164835564264,0.875698339829512,0.5314904055716946,0.9721961843373729,0.017302409002529724,0.5568359691386774,0.689858079500645,0.6801714632719063,50.61135358096547,69.70497224926629,143.21718732701805,0.9582942765060593,1.9268655119112288,48.82879440978233,0.844167245784865,0.48852127090241054,0.9734320351206357,0.01682899301486576,0.5483875360145792,0.6410470354664697,0.5746382163966902,50.16148292646961,65.48596724936576,135.78413520908356,0.9601480526809535,1.7640727878777391 +UMLCN0132,L,hexyl acetate,CCCCCCOC(=O)C,Esters,,C8H16O2,NREL (2014),IQT,PubChem,,32.2,0,-1.1702999999999986,1.3696020899999966,33.9734,26.352687999999976,0,0,26,10,16,0,8,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1682.3059939999982,1635.7901009999994,1887.7813729999982,1487.0525989999974,1286.3233419999979,1095.6629969999979,898.9062680000002,658.269575,471.6351819999999,4318.256678818235,5285.075778651741,6501.79103482208,6242.990646422342,5481.820860817942,4661.524982448398,3654.7266374932806,2735.992706466611,1994.6690626258153,194.52298400000006,189.22686000000004,344.824556,416.5809079999997,351.39949599999994,328.82538,265.94048000000015,202.91574800000015,133.768576,30.71141447758398,38.56812896000001,51.291065365339044,51.84014968467805,46.247270431282054,39.893419000980046,30.871890141583982,22.721144958187985,16.773807881094,4343.939852712984,3670.756885191401,7358.85692226614,9399.64940192778,7945.569878669084,7576.120635775981,6097.165480737385,4623.723082357038,2984.9925317459943,99.27777777777777,65.08333333333334,118.50000000000001,119.08333333333334,97.83333333333333,91.58333333333333,80.33333333333333,65.16666666666666,51.5,64.70407669230762,65.43160403999997,41.03872549999996,26.554510696428526,26.798402958333288,24.348066599999953,24.96961855555556,24.380354629629633,26.20195455555555,166.08679533916288,211.40303114606962,141.3432833656974,111.48197582897039,114.20460126704046,103.58944405440884,101.52018437481335,101.33306320246707,110.8149479236564,7.481653230769234,7.569074400000002,7.496186,7.43894478571428,7.320822833333332,7.307230666666666,7.387235555555559,7.51539807407408,7.431587555555556,1.1812082491378453,1.5427251584000004,1.1150231601160663,0.9257169586549653,0.9634848006517095,0.8865204222440011,0.8575525039328884,0.8415238873402957,0.9318782156163334,167.07460971973018,146.83027540765605,159.9751504840465,167.8508821772818,165.5327058056059,168.35823635057736,169.3657077982607,171.24900305026065,165.83291843033302,3.818376068376068,2.6033333333333335,2.5760869565217392,2.1264880952380953,2.038194444444444,2.035185185185185,2.2314814814814814,2.41358024691358,2.861111111111111,0.27198559934332245,-0.1594441390416236,0.07794332494475323,-0.05159887542919053,-0.013851369694194798,0.00766134881877152,0.010399440494865915,-0.016513388879040792,0.020643375268019036,882.3953095384619,-16.007614863906106,-51.54279202958634,-139.7047877751474,-103.47124268639016,13.298953491124678,6.470782485207309,-44.23735252070989,-96.64307168047338,1232.2230783781736,-150.64003299049494,-371.35711577769507,24.193539349128116,-153.1179749885506,15.746903531416535,14.836993722695581,101.99149784243113,-152.20806517983021,2.0122338461538454,0.022008994082841786,0.8084290414201195,-0.608326437869821,-0.19713263905325562,-0.15156411834319672,-0.20596071005917152,-0.40018930177514633,-0.1427360473372779,5.440849319686152,-1.0618528482268266,-2.005132992689112,0.650255504747818,-0.6779930937927467,-0.06923535923680917,-0.07134843040483267,0.7973221744271439,-0.6758800226247219,30.335418731686136,-6.44520119482697,-11.10342426840456,4.209963979428613,-3.757930676269667,-0.6994692695829257,-0.7334659347740244,4.745294058284875,-3.7239340110785646,38.76068376068371,-0.3040762656147255,14.775969756738995,-8.405489809335943,-4.032544378698222,-3.5345167652859937,-3.6942800788954635,-6.245069033530567,-1.9561143984220917,0.010460984590127786,-0.006377765561664944,0.0016944201074946355,-9.214084898069738E-4,-2.885702019623916E-4,1.7025219597270044E-4,2.8887334707960874E-4,-6.116069955200294E-4,0.0011468541815566132,33.93828113609469,-0.6403045945562442,-1.1204954789040509,-2.494728353127632,-2.1556508892997948,0.2955322998027706,0.17974395792242526,-1.638420463729996,-5.369059537804077,47.393195322237446,-6.025601319619798,-8.07298077777598,0.43202748837728777,-3.1899578122614707,0.3499311895870341,0.4121387145193217,3.777462883053005,-8.45600362110168,0.07739360946745559,8.803597633136714E-4,0.01757454437869825,-0.010862972104818232,-0.0041069299802761585,-0.003368091518737705,-0.0057211308349769865,-0.014821825991672087,-0.00792978040762655,0.20926343537254433,-0.04247411392907306,-0.04358984766715461,0.011611705441925321,-0.014124856120682225,-0.0015385635385957593,-0.001981900844578685,0.029530450904709033,-0.03754889014581789,1.1667468742956206,-0.2578080477930788,-0.24137878844357738,0.07517792820408238,-0.07829022242228473,-0.015543761546287237,-0.020374053743722902,0.1757516317883287,-0.20688522283769803,1.4907955292570658,-0.012163050624589021,0.32121673384215205,-0.15009803230957042,-0.08401134122287962,-0.07854481700635542,-0.10261889108042954,-0.2312988530937247,-0.10867302213456065,-0.6096716333645834,0.1619752034711617,-0.08808047482227659,-0.027585376832953215,0.016274968623256593,0.02761435547397934,-0.05846552877032374,0.10963157164373605,-0.01886673611985774,-0.03301568144865063,-0.07350779914644501,-0.0635167962884006,0.008707933634519294,0.0052962009832389694,-0.04827647155021861,-0.1582006913159156,-0.1271406428422967,-0.17034050400876943,0.009115812627526622,-0.0673083507151649,0.007383574523890401,0.008696157997305182,0.0797047520718776,-0.1784223149253248,0.01137509633381122,0.22708004575091484,-0.1403600656380572,-0.05306549220970426,-0.043518987445003515,-0.07392252247109306,-0.19151227205528823,-0.1024604028961986,-0.20296959119235472,-0.2083013097321715,0.05548845846506061,-0.06749796540201225,-0.007352280802695936,-0.009470841578464851,0.1411161527198338,-0.1794335932551758,-0.22096313559761682,-0.20688188137577032,0.06443379439046555,-0.06710129176009105,-0.013322308281880932,-0.017462274116674167,0.1506338998289,-0.17731800049826332,-0.008158765159867663,0.21546666027515496,-0.10068317845329962,-0.05635336273428889,-0.05268651231165016,-0.06883498713708204,-0.15515129241700362,-0.07289599411980902,1.6107890647064633,0.8856805092676756,1.0937345554642228,0.8368813610742486,0.8365167594335701,1.0012263647747588,1.375613259122456,1.0452023102433619,1.1246481902981427,1.0479001493265885,1.0447169903706668,0.9892724536050107,0.9027777777777777,0.9379145063044299,1.0425203853693545,1.1284722222222217,1.5035364552620796,1.2511185831847835,0.9082554106307902,1.036666883939563,0.9027777777777777,0.874721932525027,0.7617881952907489,1.1284722222222228,0.7088758608878614,0.7154961909252356,1.2337794055679634,0.8586311526212992,0.902777777777778,1.112102907616046,1.525321577097178,1.128472222222222,1.6875178376234876,1.3210761510579963,0.8523139550399579,1.0390370675251517,0.9027777777777783,0.871561687744243,0.6713445547480492,1.1284722222222225,1.716599977139908,1.324714486095753,0.8461377666363631,1.0340786470011383,0.9027777777777777,0.8781729151095934,0.6688993135438092,1.1284722222222217,0.5761852260198465,0.45121578543694035,1.0404197511419133,0.8577384233737607,0.9077545020213167,1.1078188166115412,1.4930172730613764,1.8110299522234494,58.24816503205892,29.374082516029475,47.26113197697629,58.64816503205894,5.864816503205894,29.37408251603024,0.5000000000000249,0.173928133739792,0.0173928133739792,-1.7491130895696674,242.98887190802313,24.29888719080231,5.4930156476747545,58.26379886783681,29.38116501301712,47.27223375179038,58.66262379439476,5.866262379439476,29.381165013017878,0.49853115819742655,0.17369327475487978,0.01736932747548798,-1.7504643240731101,274.5023234172995,27.45023234172995,5.614959725093362,72.21288728726472,35.70744916557433,57.69267644806203,71.57449612237188,7.157449612237187,35.70744916557433,-0.7979889561160505,0.0022592562478239153,2.2592562478239154E-4,-6.092719613744442,52.13038838993819,5.213038838993819,3.9537480491635053,58.280207174262536,29.38859838735021,47.28388711087747,58.677798854612846,5.8677798854612835,29.388598387350964,0.4969896004378853,0.17344686861153075,0.017344686861153074,-1.7518839592806241,328.4861329710151,32.84861329710151,5.794494623855628,87.13585973194198,42.48563560163184,69.61260154483736,85.40418890899934,8.540418890899934,42.48563560163184,-2.164588528678294,0.12492085659363028,0.012492085659363028,-2.080074889453159,46.20335226897378,4.620335226897378,3.833052355389846,59.88692263714938,30.116595504452988,48.43291783419475,60.16393733455466,6.016393733455466,30.11659550445334,0.3462683717565973,0.14975666171108487,0.014975666171108487,-1.8987435574262155,69.8050850134276,6.98050850134276,4.2457068583100455,58.974802712707096,29.725558507791227,48.98120406268366,59.64677050683315,5.964677050683315,29.725558507791884,1.1751984126984212,0.3018648343523316,0.03018648343523316,-1.1977759301656485,43.053803193220304,4.305380319322031,3.762450570600482,0,11.889999999999999,15.995918659282372,-0.3158670357183335,0.3016019950087915,3.7119216775201815,7.072428257029557,9.0,25.0,24.0,24.0,8.0,1.0,1.0,0.0,0.0,1.0,20.365311999999992,3.520919485220064,3.3599259977398686,3.0307413101211775,2.553114971831476,2.1313634038078093,1.9403807258954966,1.493376096457525,1.1761533029576636,1.8825282732507198,1.6488053024084173,1.5335778015759123,1.2549471584744287,0.9169011551365128,0.6720709187938694,0.5361096065761835,0.4559049961824769,3.4869861256452,3.268163567271557,3.0415500124009798,2.5693666057471436,2.0928397782386545,1.904775689089009,1.5356872491414741,1.2712008536409178,1.8308805515884303,1.6410867225259453,1.4846425754533834,1.1703827395687074,0.8287404794949829,0.6277012803916996,0.49410295087472067,0.3708106561210826,3.6404225962179697,3.4787144260571172,3.2273350700921752,2.822883256306674,2.44449048876923,2.270346579293145,1.9600215498164009,1.7533756730170658,1.63617748081464,1.3903178102812312,1.2304343879728414,0.8421766380105018,0.41701628722791767,0.20012138445330194,0.006652554512077447,0.16769802139522832,3.501404067400773,3.2469144991780823,3.0588803530880817,2.5998823863972684,2.1118591468319243,1.9128508878440345,1.5974187218328,1.35478681007363,1.8041980636947357,1.6449988927770738,1.4461033068534555,1.1148328210835061,0.7815882013968088,0.61486282319808,0.41387777698474415,0.267704727796773,3.6878402722552286,3.503663750023478,3.2995400004988236,2.9234386343956773,2.5449910151633808,2.36995609805829,2.127423539006643,1.9527785447471968,1.5820471820297028,1.3564418034912802,1.1641654604844767,0.7436817288331294,0.30599026537738117,0.11626889919844212,0.15796952608941064,0.36434351299390805,4.963267254666285,3.5261246480668786,3.3094627636255916,2.9505373426198176,2.769702570162784,2.3372152128200283,1.883115617002693,1.5845168179643594,1.7611998348075908,1.4275823855569942,1.1731848238691687,0.9706993815856643,0.5764565828743835,0.2820646885042983,0.11644196023120307,0.17320584370345976,0,0,1,0,0,3,4,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.08333333333333333,0.0,0.0,0.0,0.2886751345948129,0.20412414523193154,0.14433756729740646,0.05892556509887897,0.041666666666666664,0.029462782549439483,7.819990956308912,4.7700556100296625,3.59673554708526,1.885027805014831,1.1561392483545432,0.6925139025074155,0.4012929288806348,0.2165063509461097,0.7819990956308912,0.5300061788921847,0.3996372830094733,0.2692896864306901,0.1926898747257572,0.1385027805014831,0.1003232322201587,0.07216878364870323,6.852030486860464,3.9040302062452237,2.4007035081063557,1.3032161629029313,0.7447362908439383,0.40160808145146565,0.18011754511437106,0.08690017492342297,0.6852030486860464,0.43378113402724705,0.2667448342340395,0.1861737375575616,0.12412271514065638,0.08032161629029314,0.045029386278592765,0.028966724974474323,13.764220639120705,25.76402039329934,24.501960784313734,24.879999999999995,15.348914970059875,200.53508263473057,0.5293931015046425,0.9909238612807438,0.9423831070889898,0.9569230769230768,0.5903428834638413,7.712887793643484,2.1298000000000004,40.775000000000006,32.77768137085279,52.236788515417416,65.55536274170558,6.555536274170558,32.77768137085281,0.06273100689394723,0.006273100689394723,-2.7688994257676924,49.79340041132606,4.979340041132606,3.907882453387887,111,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.003717482363315,-0.16990882464096724,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.004473340262031,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.602828719450743,0.0,5.230029289493576,0.0,0.0,0.0,0.0,0.0,0.0,-0.16990882464096724,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.254216348576467,4.749501133786849,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.749501133786849,-0.16990882464096724,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2397465120307382,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.444266581632653,0.0,0.5925925925925927,0.0,0.0,0.0,0.0,0.0,0.0,-0.16990882464096724,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.254216348576467,4.749501133786849,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.254216348576467,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.15856213781809,0.0,1.2373658352229782,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.254216348576467,4.749501133786849,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.666666666666664,2.3666666666666663,0.6100125582640463,10.254216348576467,0.21736961451247172,-0.16990882464096724,4.101253268613001,1.836575491307634,3.2542163485764677,9.32455924036281,1.836575491307634,3.2542163485764677,9.32455924036281,4.66666,0.46667,0.0,0.03333,0.51282,0.85333,0.425,0.51282,0.85333,0.08782,0.0,-0.08782,0.0,0.54687,0.16742,0.0,0.28571,0.10714,0.0,6.75,0.675,5.25,0.525,1.5,0.15,-3.75,-0.375,0.0,0.0,8.35925,0.83593,11.32243,2.96318,0.29632,3.65409,0.36541,4.77005,1.11596,0.1116,0.14395,0.0144,0.14395,0.0144,0.0,9.02,2,2,2,2,0,0,0.875,1.2389012566026307,1.9312089489103232,3.2577560641285177,3.7192945256669794,3.6864194113487736,3.686419411348773,32.2114326716684,50.211432671668405,84.70165766734146,96.70165766734146,95.84690469506812,95.8469046950681,0.2635713530845122,0.41085708246760977,0.6930747460828791,0.7912652323382775,0.7842711815069636,0.7842711815069635,3.4615384615384617,2.769230769230769,1.442683654012575,0.9811451924741132,1.014020306792319,1.0140203067923195,0.2635713530845122,0.41085708246760977,0.6930747460828791,0.7912652323382775,0.7842711815069636,0.7842711815069635,11.26589917459177,19.88089260689946,23.7544757575899,24.219625772359137,24.18649340921938,24.186493409219384,36.565211176569775,24.098937288896465,19.728534974072158,18.343243100008944,18.459328446427044,18.459328446427048,10.0,7.111111111111111,9.142857142857142,10,3,6,2.1199999999999997,1.310200000000001,0.12499999999999997,2.8310127240586844,0.7559289460184545,0.0,5.6762400186093895,1.341230759999709,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,4.356000000000001,9.0,7.0,6.0,5.0,4.0,3.0,2.0,0.0,0.0,55.0,2.3978952727983707,2.4849066497880004,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,0.0,0.0,4.174387269895637,1.1636363636363636,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.6666666666666666,8.0,0.8888888888888888,0,4.0,8.0,1.0,1.5,0.44444444444444464,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.0,0.0,0.0,0.16666666666666666,0.04938271604938274,0.03571428571428571,0.026666666666666672,0.022222222222222227,0.02040816326530612,0.020833333333333332,0.0,0.0,0.0,0.3418940539178635,32.77768137085279,52.236788515417416,65.55536274170558,6.555536274170558,32.77768137085281,0.06273100689394723,0.006273100689394723,-2.7688994257676924,49.79340041132606,4.979340041132606,3.907882453387887,26.3,161.86833040805567,4.321928094887363,3.6109179126442243,4.23410650459726,4.919980925828125,5.564520407322694,6.255750041753367,6.90875477931522,7.601402334583733,8.258163361537619,8.951180966457603,75.30477723403985,2.9444389791664403,0.0,4.007333185232471,0.0,5.198497031265826,0.0,6.447305862541213,0.0,7.727094484779841,8.058643712215618,144.115029752,5.542885759692307,18.662654583954428,1.8662654583954428,5.2504306591769385,5.2504306591769385,0.0,158.0,7.0,2.729,36.0,1.2351999999999999,2.121749389133517,2.8610510794735893,3.6432550722968493,4.861987128056679,5.861709233974874,7.143622597755628,8.22297422985707,9.371309060307322,10.260739592426246,91.62129166719997,95.94085579836674,88.03057949105063,119.46047667717873,136.0728657340115,168.32288005296454,189.98517914686303,232.30859544950565,80.98050153108802,10.425568113238981,284.10295800329686,319.93586288104564,347.7103298621837,477.3396589237879,548.792800405068,651.5494769942368,768.9440891178582,963.0583100920695,716.160418053473,318.94220716330494,9.406569306879998,16.00291563274577,21.339331153919353,26.83255578964705,35.67798753549163,43.52047080442394,53.85239736730778,61.05870935425449,69.53054205922763,68.9364095650904,2.0225453996991996,2.475682800909728,2.8088850002959167,3.8921848660931175,4.574804849268006,5.363876584342951,6.282310786662599,8.018179418610947,6.9900967712483455,4.562057236087777,179.56309980875614,336.2276926117242,476.78350648830525,590.3795453406732,810.6000267146251,981.0550021434296,1215.821448679026,1350.6574203840303,1606.955093482668,1897.391873463711,3.3046333333333333,5.7170676094740145,6.186752165651213,7.601430076889073,10.098444389573263,13.399292101848156,17.423703908485606,23.59967092020399,24.207986295731757,10.260739592426246,0.4520484,0.5769506930264584,0.6568099724064747,0.8895669541949097,1.0675543260051321,1.283767097404783,1.5211159975817874,1.888392374961188,1.692191275260482,1.0506997342644475,429.36490408308185,359.2277173026153,14.557204195819516,180.39758873321517,-150.92946207589753,-21.15106404796559,248.96731534986668,510.15717937851286,35.708268243785106,0.7041510574059474,0.5891272774805448,0.023873564489977843,0.2958489425940528,-0.24752172174251466,-0.034687381229822165,261.81061424153023,219.0435883911507,8.876437118878764,109.9996834040144,-92.03112503482203,-12.897125539604655,0.30875278152220725,0.3774857140029695,2.7964392806026885,3.28961155472322,552.8323097125796,56.930183103717454,0.9066354789374218,0.09336452106257838,710.1477289215646,26.6485971285838,8.921740097531272,865.1403062301669,29.413267520460334,9.528594570049483,1179.0972541217254,34.3379855862531,10.564522587537601,2.628075670278416,2.628075670278416,1529.0272056569002,1466.3458862143468,86.06918186824896,1.0427466125365394,17.765095153308994,17.036828448758428,5.019746813183923,5.6454556919422,10.971001635560503,0.9433332283910215,4.475634912546364,6.190062996070936,3.9508785145889753,23.89843230577812,9.28721148788081,1.4668777811271674,6.369045168109072,7.1355335259383335,8.485353956417425,1.7581242412579314,3.4449004763687388,5.714552359801436,4.482808182213613,0.1395767415585904,3.7911194173885208,4.5955732308409365,2.6042296961926312,0.36065204268392537,3.529761505847138,0.012438373859304385,1.9102248075120052,1.405286711234065E-12,2.0715519410995273E-46,5.889828146579722E-102,3.2298720927362226E-179,3.4162050454486424E-278,0.0,0.0,0.0,0.0,0.3921165449154579,6.340943916997345,0.3500849474624943,7.076851411156717,0.27108172641477707,1.3254809439259432,1.9503283635929511,0.4825840755471667,2.5016711060932075,0.038688496370843435,2.115744459169088,0.40063407798247425,0.3364895358598478,0.09973534854763519,0.23079228112129102,1.8762021869178969,0.15600412167200242,0.2701300142263181,0.02523703796476738,0.0010374245272204473,0.013453869509383267,9.897549210890275E-15,1.4590109702199274E-48,4.148254121983926E-104,2.274825324055409E-181,2.406061146207469E-280,0.0,0.0,0.0,0.0,1.2183825688571537,6.059867195279105,0.8490396086520466,7.344720572572203,0.9211184322226101,1.3332519225882198,2.077924916853203,1.2357411957656836,3.134198370116549,0.19662127461178255,2.1749470000299644,1.0964486184313793,0.7304652823319587,0.06798539336667596,0.515463840991848,2.1301023547933315,0.5439451113164809,0.28454323640901497,0.26003157114834,0.0033531776533162073,0.14019969327568899,1.0314009382802941E-13,1.520401921306252E-47,4.3228006271811915E-103,2.370543377620124E-180,2.5073012226376436E-279,0.0,0.0,0.0,0.0,4.229749368703216,6.340617585324473,4.212762277728571,23.193406365456624,8.984919148359529,1.466480834593935,7.006166720349816,6.943614476237278,8.668646942424843,1.5845702069346568,3.3435676420909566,5.772765185808221,4.2053210140127755,0.1614794964696479,4.083395776443506,4.378772925433897,2.416746193680667,0.3545832498712358,3.1452130755199597,0.011736374586795712,1.7019759126797607,1.2520851595705734E-12,1.845715484246343E-46,5.247730840831395E-102,2.8777578854886022E-179,3.043777191702142E-278,0.0,0.0,0.0,0.0,1.7880899915085848,5.95307281548618,1.1212485378539592,8.413683993336333,1.5507184096233797,1.343490237043276,2.2458002792277556,1.8234994804748186,3.5751199982524393,0.3623549598137414,2.281401371478512,1.558166588394948,1.1007310191021689,0.05910627775672157,0.673123942986088,2.3896401985572155,0.8429575627446318,0.2954133231529328,0.5638969761561132,0.004946261506705654,0.3045324682070115,2.2403406605739734E-13,3.3025161392586514E-47,9.389700603507518E-103,5.149136983908245E-180,5.4461932977759376E-279,0.0,0.0,0.0,0.0,5.405000361478282,6.285574082481744,5.307949707784818,31.91329897455555,13.540884759451188,1.5256667981964673,8.235046601009994,9.789285129213912,10.922045495062838,2.478256480260595,4.037659679759702,7.71510487775032,6.231638377227331,0.171536655262179,5.526378219026559,5.690523335525205,3.3509899358313,0.3883609606119968,5.146597978075592,0.015042149811888134,2.7858833558243195,2.0494785972794327E-12,3.02116381838396E-46,8.589760816473391E-102,4.710464898796345E-179,4.982213998463437E-278,0.0,0.0,0.0,0.0,2.8369193715920815,6.321323024899801,3.3893566966426687,21.570749864020737,5.376686222561624,1.4603469503154636,8.419547025718025,5.8949283435734365,7.100615347749651,0.7122089674092186,2.758477608736359,6.103011292532612,2.3335631767338674,0.24965248373057036,3.1847565676700267,3.8458094212241036,1.3386678040810416,0.4558478255647293,1.3048949409669421,0.009152854965402132,0.7052007621387053,5.18791953642571E-13,7.647581593163452E-47,2.174357322499548E-102,1.1923770712488793E-179,1.2611659068600661E-278,0.0,0.0,0.0,0.0,11.462711140764222,0.8240907529197693,0.44627447307692314,0.900231084036147,0.0647204751768409,0.5424006937559142,0.5369097139063043,0.5384444906629208,12.733076366760914,14.929600295398581,31.87832557860293,0.8503466260542205,1.6177548983251393,10.600807604032314,0.5279446942661998,0.0811014283661784,0.9456686824393034,0.04709648378465337,0.4686043398457206,0.20581006586243242,0.017782542367913882,11.209853726664692,6.499197836811046,18.162947072028498,0.918503023658955,0.6921969480760669,10.85804662067131,0.5948754048644278,0.22837841761227323,0.9295237866294584,0.05092544342640963,0.48761911862213236,0.28085900157728977,0.14100904291067076,11.681300443148011,9.07478508873728,22.231223953732602,0.8942856799441876,0.9094871631100929,11.433965012387425,0.8288167059387379,0.4251050105953528,0.901171744095427,0.06532346352442478,0.5400556573439558,0.545512845461423,0.48857280964455974,12.687886728921516,14.689631169683267,31.40609406583011,0.8517576161431406,1.5741413124499384,11.019643358328619,0.637136118219225,0.3018368601406885,0.9214814697684394,0.05327841451560898,0.5014181183900654,0.3217236453595894,0.24630963168181488,11.958616336688532,10.53945851003938,24.617275303321257,0.882222204652659,1.0694513954314697,11.541450110333415,0.85848918449918,0.47114842818901903,0.8966957850570803,0.0666990391933745,0.5498747960136222,0.5826301620201702,0.6001396754266002,12.871087723021615,15.750422001557734,33.28974733613736,0.8450436775856205,1.7326446334603924,11.516756264595656,0.8400966402048158,0.4282941233447979,0.9007918516105153,0.06570879774440011,0.5480292116369574,0.5607380472217316,0.4959307949713629,12.785147028145271,14.967555726106713,31.89652902138812,0.8511877774157731,1.604698053830052 +UMLCN0133,L,trilaurin,CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC,Esters,,C39H74O6,NREL (2014),Other Ignition Delay Method,PubChem,,100,0,-7.8182000000000045,61.12425124000007,141.6543,122.79468199999988,0,0,119,45,74,0,39,0,6,0,0,0.0,0.0,0.0,0.0,0.0,7237.297461000032,7674.644647999994,9351.27447099999,9478.587258999945,9642.606959999957,10211.769481999954,10084.066705999956,10415.902075999978,10276.757242999984,20115.700917898754,26038.16669132732,35249.98689594392,38136.326526204466,37818.69684694143,37611.808917623195,37358.67522063479,37380.85278158064,37447.56611644886,871.3567560000021,880.9277839999993,1680.464715999999,2334.1566760000023,2262.6875040000023,2226.4778480000014,2219.728136000002,2184.451520000002,2166.2475800000016,145.52767895882613,192.0678389400002,281.3770628788101,318.57383243837194,310.97452029818385,305.84325091108974,301.5357763470896,297.9818274876936,296.2814125175054,19741.593852119397,17148.96094963958,35579.88430633391,53034.740046738276,50906.575205036665,49671.07596412023,49492.985327818926,48447.51118570034,47524.52228917608,351.8611111111111,264.25,484.8888888888889,600.1111111111112,617.1666666666667,677.8888888888889,655.1944444444446,700.1666666666665,693.5000000000002,60.81762572268934,65.03936142372876,41.01436171491223,29.528309218068365,31.205847766990154,33.81380623178793,33.61355568666652,35.42823835374142,35.559713643598556,169.03950351175422,220.66242958751965,154.60520568396456,118.80475553334725,122.39060468265835,124.54241363451389,124.52891740211597,127.14575776047836,129.5763533441137,7.322325680672286,7.465489694915248,7.37045928070175,7.271516124610599,7.322613281553405,7.372443205298017,7.399093786666674,7.43010721088436,7.495666366782013,1.2229216719229086,1.6276935503389847,1.2341099249070617,0.9924418456024048,1.0063900333274558,1.012725996394337,1.0051192544902987,1.0135436309105224,1.0251951990225099,165.89574665646552,145.33017753931847,156.0521241505873,165.2172587125803,164.74619807455232,164.4737614705968,164.97661775939642,164.7874530125862,164.44471380337743,2.956816059757236,2.239406779661017,2.1267056530214425,1.8695050190377296,1.9973031283710898,2.244665194996321,2.183981481481482,2.3815192743764166,2.3996539792387552,0.8961245818992273,-0.47590523069733587,0.05269270534735263,0.12824010361658716,-0.3037761810717678,0.2198092370619827,-0.10482341112921163,0.005143725562867705,0.0426193786342668,3805.8674591092554,35.34987684963636,-818.0142099992412,490.89787073893376,294.05405520372693,613.8175197395622,482.60419992627226,663.5501731922827,-48.64274383674408,5838.9015843462685,-262.1646646366992,-2349.483035120662,449.9137364182886,251.02777555729372,87.78848635351638,424.8184386890504,588.5402911132638,65.71825152383471,6.404467966386525,0.13365589887718848,2.560458988771976,1.4049346452934124,0.2203770620718816,3.2050962197584982,0.9091133620506886,0.9823978645575692,-0.8623387082833407,25.95763391814424,-2.184150548173748,-11.356172191610634,1.3843873270853442,0.24360653644750574,-0.959138126481633,0.888879289621626,1.0669995838879949,0.21333201243787592,143.51666565028688,-13.599012545596064,-61.86833543499358,7.048129242958371,-0.15667292981895953,-6.098405121083648,3.434004855580459,3.437013249230622,0.5982882287623816,120.7628384687212,2.409538325133978,33.93058399830501,2.969803607717601,-10.943234156407785,32.933338041098594,11.929118706306083,55.0042291426375,1.9305388822195675,0.007530458671422078,-0.0040330951754011515,2.3110835678663436E-4,3.995018804255052E-4,-9.83094437125462E-4,7.278451558343798E-4,-3.494113704307054E-4,1.7495665179822123E-5,1.4747189838846644E-4,31.98207948831307,0.29957522753929117,-3.5877816228036896,1.5292768558845289,0.951631246614003,2.032508343508484,1.6086806664209075,2.256973378205043,-0.1683139925146854,49.06639986845604,-2.2217344460737216,-10.304750154037992,1.401600424979092,0.8123876231627628,0.2906903521639615,1.4160614622968348,2.001837724875047,0.2273987942001201,0.05381905854106323,0.001132677109128716,0.011230083284087615,0.0043767434432816586,7.131943756371572E-4,0.010612901389928802,0.003030377873502295,0.003341489335229827,-0.0029838709629181337,0.21813137746339697,-0.0185097504082521,-0.04980777277022208,0.0043127331061848725,7.883706681149053E-4,-0.0031759540611974602,0.00296293096540542,0.003629250285333316,7.381730534182558E-4,1.2060224004225788,-0.11524586903047512,-0.27135234839909467,0.02195678891887343,-5.070321353364386E-4,-0.02019339444067433,0.011446682851934864,0.011690521255886469,0.002070201483606857,1.014813768644716,0.02041981631469473,0.1488183508697588,0.00925172463463427,-0.035414997269928104,0.10905078821555826,0.03976372902102027,0.18708921477087584,0.006680065336399888,-0.5355709859622041,0.03068981145380764,0.05305146709610211,-0.1305490780868745,0.09665349583505926,-0.04639974610799124,0.002323319991943888,0.01958338858536187,0.009366971514430833,-0.1121809988657786,0.04781667985170755,0.029755139810772758,0.06355147557716519,0.05029943931596923,0.07056993836281938,-0.005262759495554093,-0.045280160191700496,-0.2100164304221297,0.02856538137578252,0.016556902999623438,0.005924427978072249,0.02886010520627573,0.04079854503778246,0.004634511494826645,0.021046022354042078,0.20866368882166916,0.08132329999682661,0.01325170664390198,0.19719596881895096,0.056306779710577,0.06208747283604589,-0.055442645111331325,-0.08485597360406384,-0.22833841398438864,0.019771264255224175,0.003614201117155628,-0.014559822149981121,0.013583240521655843,0.016637910270118357,0.0033840755145009946,-0.09555864716119208,-0.22499776812106922,0.018205954475787496,-4.204168472814264E-4,-0.01674379715799537,0.009491268858624894,0.009693452834532941,0.0017165530946037803,0.020121737549900803,0.1466459713770988,0.00911667235949109,-0.03489802598680233,0.10745891668497522,0.039183277020496815,0.1843581754125523,0.006582552920346278,1.6209444534940052,0.9977596971367335,0.9901245550037562,1.3074221712524408,1.1321883302016487,1.384280674789435,1.494503456586073,1.6248272759688072,1.1957880903359537,1.1984836936899692,0.940497182203947,0.988943559056135,0.9772583014681413,1.005045757631796,1.0016992747501736,1.115468491314176,1.4531386100987678,1.380698215677693,0.9521353893786747,0.9712298443878504,0.9853655903427933,0.9504572209304144,0.9412721874433599,0.9808984756443158,0.7163093053283507,0.6903388393322962,0.9286508571643812,1.1365011593172405,1.0596314010556858,1.3193054959464408,1.3949257878558883,1.7066735245335352,1.5651698713192104,1.4304824834469936,0.9589247026741676,0.9835818383524705,1.0059673310117536,0.9639203917788115,0.964118838729782,0.9819493061621427,1.583726887912186,1.430968788090471,0.9605019186337097,0.9908986545447337,1.0138649342017083,0.9759303518351534,0.9808159505680195,0.9977894595204694,0.5552664744040743,0.48856089131493535,0.8121965457815181,1.1659757769353567,1.1995625857947834,1.216335670895924,1.1102481630675383,1.6237464917231677,968.0219074505289,484.7609537252641,646.0461281418761,969.4552407838617,21.54344979519692,484.7609537252641,1.4999999999992042,1.0547118733938987E-15,2.3438041630975527E-17,-155.18478946981773,1.600023476154244E7,355560.7724787209,74.64651278711767,968.1900875666813,484.842840520637,646.1622377907356,969.619210220181,21.54709356044846,484.842840520637,1.495593474592681,6.661338147750939E-16,1.4802973661668754E-17,-157.2526849520207,1.600023472721563E7,355560.77171590284,74.64651277746341,1117.5239861795953,557.565009655624,749.8408532924334,1115.2364178387304,24.78303150752734,557.565009655624,-2.3939668683474338,1.3322676295501878E-15,2.960594732333751E-17,-154.13352263950094,1.6000215331376377E7,355560.34069725283,74.64650732246034,968.3665962979635,484.9287825496386,646.2840993387712,969.7912998192191,21.550917773760425,484.9287825496386,1.4909688013136133,2.1094237467877974E-15,4.6876083261951054E-17,-152.06562715729797,1.6000234691233333E7,355560.7709162963,74.64651276734354,1276.4403785655059,634.973306489735,861.0399126050398,1270.2352247832941,28.227449439628764,634.973306489735,-6.49376558603592,1.942890293094024E-16,4.3175339846533866E-18,-162.79733151783756,1.6000206908318229E7,355560.15351818287,74.64650495350648,985.6376121493545,493.3382086323119,658.2172716460761,986.6302481483895,21.92511662551977,493.3382086323119,1.0388051152693265,2.3314683517128287E-15,5.181040781584064E-17,-151.61525159379156,1.6000231379004646E7,355560.69731121435,74.64651183579278,945.6747533512226,473.30200526062606,629.1270257539011,948.2823259320567,21.072940576267932,473.30200526062606,3.7427553927543613,6.661338147750939E-16,1.4802973661668754E-17,-157.2526849520207,1.600024522535957E7,355561.00500799046,74.6465157300221,0,11.889999999999997,15.999973767132987,-0.31383551745518995,0.26413714015512413,4.4398103294372415,8.74341721243238,44.0,118.0,115.0,115.0,41.0,3.0,3.0,0.0,0.0,3.0,89.51931800000013,3.651320821990378,3.5647614047843357,3.5566876337809,3.509607349591081,3.4728315622782504,3.463748884370218,3.360731725131809,3.2963254503216,1.939685452929501,1.9387410449779807,1.938586230984525,1.8464212892826493,1.8402360999266665,1.8395404490442855,1.7306304716201257,1.686228965578738,3.5769742686784927,3.5635352604521335,3.5624827850623504,3.4989369060641584,3.452476615412471,3.4486149622882265,3.3680295763364163,3.270907975757407,1.888667357510793,1.88248018841176,1.8818901155460095,1.8198264199939045,1.787678669317335,1.7851583705445524,1.723791540262513,1.6390618851712215,3.7327835941119196,3.6919202031621015,3.689415315294329,3.6530937605085314,3.60022220465501,3.5931207657278468,3.5204908537063493,3.4418060528923884,1.7100501392717915,1.7061332952008654,1.7056943545636722,1.6191748080608368,1.5953084038565195,1.59341053358573,1.5093085953453014,1.4206972582886028,3.587107330725845,3.58111423561166,3.580520698000453,3.496104779646342,3.4642688739873573,3.4618273871478826,3.374940602475917,3.2776418611690903,1.8715067848908962,1.8485332841030233,1.8471151405257116,1.8109515403950796,1.7601339466916102,1.7549603869237136,1.697781439980811,1.6171238908427037,3.761086751143005,3.74502133548273,3.743877104011364,3.695481126148192,3.646955877861634,3.6426393627864497,3.5775751828993356,3.4890148764950206,1.6610897526674804,1.6529395935564661,1.652205786842388,1.581236203985369,1.5433524115915163,1.5403870077857622,1.4638897307125047,1.3684948918108335,5.192459896503124,5.189414678717239,5.187749440679051,3.6786336751254898,3.5978771308345237,3.5976979707873205,3.5958591277174663,3.474988937501263,1.7919960357383524,1.7915109922710175,1.7914398159706741,1.6669446158326275,1.6632531440003462,1.662925303909844,1.5283118467962302,1.4668057061372626,0,0,3,0,0,5,31,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0701495490163702,0.0,0.0,0.0,0.2946278254943948,0.0,0.0,0.0,1.5938136576188953,1.9475233569562123,2.3523476969702526,0.39750463416913856,0.4491850466091677,0.46001913082907026,33.05813841828765,22.02760576530329,16.423250127149824,11.272561181265912,7.806420155553922,5.581362246717691,3.764623810907691,2.6910097760802705,0.73462529818417,0.500627403756893,0.3494308537691452,0.23984172726097686,0.1626337532407067,0.11162724493435382,0.07529247621815383,0.051750188001543664,30.15425700994231,19.53627449724392,13.213174844077052,8.611902181777824,5.617087789629619,3.6524364221228143,2.3276971426879998,1.4855481060701494,0.6700946002209403,0.44400623857372545,0.2811313796612139,0.1832319613144218,0.1170226622839504,0.07304872844245629,0.046553942853759994,0.028568232809041336,63.33642336657862,116.83394027676646,110.93725490196056,112.51999999999978,71.42795329341327,914.4579532934107,0.5322388518199884,0.9817978174518189,0.9322458395122736,0.9455462184873932,0.6002349016253216,7.684520615911015,11.747299999999983,187.32999999999944,515.0417572509878,688.1139577163146,1030.0835145019755,22.890744766710572,515.0417572509878,1.27675647831893E-15,2.837236618486511E-17,-154.32504090438553,1.6000225015811197E7,355560.5559069155,74.64651004617015,1812,0.0,0.0,6.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,36.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,32.0,0.0,0.0,0.0,1.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,53.83283978642537,-0.869609838874041,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.15168966162944,1.8266372984378938,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.695304190361668,0.0,32.92923702421765,0.0,0.0,0.0,-0.7544378287973232,0.0,0.0,-0.869609838874041,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,37.2867055778672,16.546134208558176,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.460245987479059,-0.31211374383457113,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.23137346360188366,0.6046575806248425,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.231206730461143,0.0,-0.06441155281557087,0.0,0.0,0.0,-0.7544378287973232,0.0,0.0,-0.31211374383457113,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.364628542052902,5.460245987479059,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.557448493761399,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.909375,0.6173221371882087,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2320487299502627,0.0,1.321751847787749,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.557448493761399,5.625642233600057,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,91.83333333333333,2.0407407407407407,0.909375,12.557448493761399,-0.2404201984075236,-0.7544378287973232,18.566242565951523,2.0877711621306565,5.557448493761398,46.05628795357409,2.0877711621306565,5.557448493761398,46.05628795357409,21.49998,0.47778,0.0,0.02222,0.48992,0.80222,0.43139,0.48992,0.80222,0.05853,0.0,-0.05853,0.0,0.59557,0.11872,0.0,0.11628,0.09302,0.0,28.75,0.63889,24.25,0.53889,4.5,0.1,-19.75,-0.43889,0.0,0.0,70.88144,1.57514,88.95839,18.07694,0.40171,18.91845,0.42041,22.02758,3.10913,0.06909,0.38642,0.00859,0.38642,0.00859,0.0,44.06,6,6,6,6,0,0,0.9230769230769231,1.1709521280432635,1.7380450815787563,2.797582334522483,3.4206702571571737,3.853411235120493,4.154226137752527,139.34330323714835,206.827364707872,332.9122978081755,407.05976060170366,458.5559369793387,494.3529103925507,0.16983075814921508,0.25207991585043577,0.40575145428938497,0.4961219244054436,0.5588851464105605,0.6025142767166399,5.72386563526468,5.156772681729187,4.097235428785461,3.47414750615077,3.0414065281874505,2.7405916255554166,0.16924053675969356,0.2512038498196112,0.4043413258193663,0.4943977268879515,0.5569428247057515,0.6004203284973321,10.234747090790334,17.24128679977087,21.116241655317015,23.67295504166146,25.846639097329682,26.82265946998712,165.39344551198806,125.38462728728486,106.9776747135649,89.12734193116773,75.38565247449644,69.80281294544312,45.0,36.82933454051607,35.136260751471255,45,3,12,5.09,5.82690000000001,0.10977229266805826,7.433506508114314,0.8482716935014181,0.0,0.0,17.71757626135414,0.0,1.6078935375323395,0.0,0.0,0.4099138248797977,2.345974797336829,0.9085602964160698,0.0,0.0,0.0,0.0,0.0,0.0,0.003,1.1199999999999999,1.1100000000000003,1.3809999999999998,0.14500000000000002,20.776999999999997,47.0,47.0,48.0,50.0,50.0,52.0,51.0,50.0,50.0,534.0,3.871201010907891,3.9889840465642745,3.9889840465642745,4.02535169073515,4.0943445622221,4.0943445622221,4.219507705176107,4.1588830833596715,4.0943445622221,4.0943445622221,6.429719478039138,1.1591760299625469,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,38.0,0.8636363636363636,41.0,0.9318181818181818,2,14.0,28.0,1.0,4.5,1.7777777777777786,1.0,0.9600000000000007,0.5555555555555555,0.5306122448979596,0.40625,0.2962962962962961,0.24000000000000019,0.1983471074380163,0.10227272727272728,0.037825059101654866,0.02127659574468085,0.020000000000000014,0.01111111111111111,0.010612244897959191,0.0078125,0.005809731299927375,0.004800000000000004,0.003966942148760326,0.2451897560093273,515.0417572509878,688.1139577163146,1030.0835145019755,22.890744766710572,515.0417572509878,1.27675647831893E-15,2.837236618486511E-17,-154.32504090438553,1.6000225015811197E7,355560.5559069155,74.64651004617015,78.9,727.9318432105656,6.491853096329675,5.209486152841421,5.916202062607435,6.650279048587422,7.373374309910049,8.116417072794205,8.850660919017152,9.600962533214572,10.344158916378912,11.100722709809322,162.16226372516053,4.48863636973214,0.0,5.6240175061873385,0.0,6.890609120147166,0.0,8.22282213081366,0.0,9.597573618489543,9.89565697342094,638.548540088002,5.365954118386572,88.14831740251823,1.9588514978337384,16.665039143396495,16.665039143396495,0.0,10974.0,47.0,16.462000000000007,182.0,1.2497372881355922,2.1550266053010976,2.878088278648443,3.6325409573320635,4.8940812966726,5.8567176154017355,7.032569296005312,8.0102252949744,9.02927884995488,9.947522672382684,92.85673003724568,97.14150880959788,98.56803590720578,137.29435364379086,182.28566809289353,217.7329456990924,262.01952719920985,303.19440825373874,335.96113616745833,371.95442721162556,301.63767930482356,354.3673843263972,374.6420794139385,514.3041178710665,660.9476722041413,793.0146756287083,942.1688431304401,1091.036150728587,1223.8948906429075,1349.3514684902789,9.378764682949154,15.95765955343602,20.998790696132968,26.78244514731865,36.084605475362444,43.40038307301807,52.199922344012116,59.98271806317635,67.83201708718974,74.87841846035042,2.170525933222207,2.779448022178651,3.037586465917352,4.094695461069238,5.280246228077755,6.30254247163804,7.449329122475392,8.557194376650049,9.587981177367615,10.547567955779119,179.5010630923626,333.14645751709844,471.78536635723015,584.6554378822888,795.7472411556107,952.9442049011342,1149.256878657948,1306.5422725121118,1475.0597017884515,1625.5489857299374,2.872571327683613,4.7327262667133985,5.489005560202603,7.457623259948644,10.770985222602878,12.8098632773631,15.92649814473577,18.806547286109073,20.756129424711038,23.14179282090412,0.46959692796610103,0.6190120088582375,0.686209993822192,0.9278105819880846,1.208304439735313,1.4515393009326987,1.7279051707501223,1.9995079109523084,2.2493146856515644,2.4814717529172627,1299.6071439781726,4344.346338105434,39.79914772021086,294.55709346613406,-984.6498892315042,-37.53096967643722,1005.0500505120385,5328.996227336938,77.33011739664809,0.8152278877248216,2.7251560636375203,0.024965525373982233,0.18477211227517876,-0.6176590003110668,-0.023542724642101633,2071.787231657136,6925.601567279813,63.44637797632324,469.5723842892508,-1569.6936398163612,-59.83052965478292,0.07833705370473627,0.0935844524661391,0.07144424625111821,0.6556340230540643,1493.205042362071,100.95919508223497,0.9366695145262521,0.06333048547374787,3185.8298622492416,56.4431560266543,14.71434246171369,3902.6705323015203,62.47135769535924,15.744201150431852,6984.138413857841,83.57115778698918,19.11485227084189,4.763303103025106,4.763303103025106,56219.19575292547,45917.04937773639,10945.36291735046,1.2243642941957904,5.136348257928248,4.1951143808077145,17.31294973537507,17.69668724358363,35.36641498749715,0.998476579299898,20.678319126983354,35.64329322907929,16.40599754256249,155.7501796638784,57.82577712033534,9.013485569969813,41.133004601418435,32.4868713391595,118.72849293450852,18.206428085856395,28.47091531956224,106.43280935478619,40.61341186520737,113.48921043080706,29.86031405690581,50.14286964944147,61.73416439558385,57.00168989823376,90.49179745499808,50.82235013170723,73.7821755072777,40.773018475300994,76.60502766215824,51.718707018916234,60.97754770368726,83.09944206569944,42.803814953834475,79.53019112115447,42.762765040045174,58.40911105767454,1.7849105959241687,35.25293886808029,4.068495862285457,41.21788095612078,2.3215903124679644,7.268595388383449,11.748293803562804,6.7873925619528475,30.933032669106588,3.4895184505311545,14.081159592141756,11.531906191589558,12.682732542536284,23.403102820698734,6.125064693109009,18.050601783196793,9.027393014554555,13.034352311197768,18.606977912821225,8.811904116496729,20.639108350335388,7.037664691658261,16.68333521999228,10.99296404877714,10.850846356483343,18.996487605568866,7.898347977379274,18.18313964093736,8.097392949198166,15.716900789516018,5.619656673047578,34.48739007292647,4.476073934528736,45.77670252517853,5.0604532872323915,6.118867008991957,13.687556046276269,7.3852321595437,41.26795281774453,4.830589606917386,13.826583148073786,25.157939591354747,12.765849894222255,35.398602352569114,8.4607230046941,19.20104455089028,13.683955710800735,15.483075397162096,28.373782411955386,14.189948938342747,25.162793440720375,9.479206144897104,20.891641384589875,15.666000797148342,16.91317160298171,26.226116126448023,10.952610464323763,21.915812296856902,13.097980260580002,20.469740534419905,19.533991768595058,36.33774832269193,17.70220982837595,147.8130162660939,53.04346059421045,10.12913855831089,42.89753672808899,33.063556911113494,114.49182873688538,17.316493097767076,28.961082914939404,100.39201471880892,42.46263949450857,108.31474458186055,29.188637043672326,51.98919350877125,60.056612900287384,58.28400474522622,86.50720692027551,48.183669112900354,74.14019907496078,40.1069143134598,76.71817470257398,50.38205109790869,58.190694799650124,83.44176434970863,41.07222722666074,81.1869481832244,40.239441586217936,56.41712722670869,8.259594737960542,34.16525114916785,5.2961924941170135,54.090791711654056,9.561481117071205,5.701899693842011,15.772366196294103,9.170363421709665,49.849859445247624,6.246205162919305,14.591543134631479,36.10584614800675,14.06598443420065,45.17739580259699,10.61272712927694,21.059829358619886,18.20182838388118,18.282693084642734,36.22961609512814,18.68616002451958,29.53949495344335,12.053826318521537,25.346400216778196,19.6202578483466,22.030038651656156,32.0734680231522,14.104190578006271,25.80463943140936,17.077661391812857,24.705086233528114,24.9721341308749,36.36686079466718,21.41928152607527,210.07955664314846,84.11779882394957,10.549319570194225,51.86363088129502,44.31560177565045,151.55671456249686,23.762677010999074,35.01505453175358,136.4806037931858,53.73654299303238,143.96000919681728,38.8073498048921,63.45757112095508,82.78537703247547,75.80557458394561,114.51251226089383,65.45360209653197,93.6847344294008,55.09609645665367,101.22407069402114,66.35320804459988,79.09818112268172,105.44071288560444,56.55493377709353,106.19644644539882,54.18065765636037,73.80867257949791,13.63394875604175,38.0701387004274,25.345795967486037,116.96627089475604,46.92600979506907,17.13328725434323,46.73555116140745,42.07010163221869,92.76402315132508,15.218739310168834,30.35914908315187,71.62764097835026,60.07816415078511,86.87749079667981,26.307802847981154,54.72734988330714,56.2347711609682,63.617337553370724,71.96446009759543,36.66824147491816,68.6454166837909,41.573638134573386,75.25982612934924,50.162447204446266,46.159000194436075,75.47494974938905,37.45441035370508,85.56286568478384,27.641198191274555,53.12917443513983,85.3531074032108,19.76632580351931,0.8670831661641175,0.805320434374043,0.18649849509134822,0.4443261570162722,0.30412417907404715,0.4732767422185212,105.98651637289423,1778.2646202449096,3347.122172175609,0.7079806515610645,1.2217270783088405,71.44568414612196,16.760784541651674,0.5134961268963742,0.805294324624307,0.18891784477894932,0.3117646743645389,0.22066988491940506,0.16275142243082683,88.71996481467,1242.7793984424272,1946.4036416712988,0.7079414869364604,0.6951859817147709,80.1013890272855,18.502087970462085,0.6051339097502063,0.807403594250222,0.186496794998102,0.39146363540254425,0.26704215820862537,0.22997769449432068,99.2086109074978,1541.7112538896545,2537.7543073330125,0.7111053913753331,0.8884834881054903,83.72628407360551,19.453928807825854,0.865857693285698,0.8047039509625727,0.1869741807678906,0.42762260643932515,0.2949085163768417,0.4714202068156219,104.04607057471708,1718.144550829969,3232.5041084631002,0.7070559264438592,1.1939513296317887,83.37593950080822,19.185668859824865,0.6629955237158285,0.8077138236754214,0.18586333236328195,0.42399243036129697,0.28656974375220184,0.27669777706163523,103.22460388434891,1667.6210533874937,2831.3886560543383,0.7115707355131321,0.9872599511751341,85.61079761396928,19.85316993928897,0.9049457950930808,0.8048479101558501,0.18664447453995434,0.44701563432160646,0.3068144173055472,0.5154833585818501,106.36891334835134,1795.0848876393613,3439.541042719735,0.7072718652337752,1.2693134102090038,84.05324599110764,19.52783327274137,0.8769835069849776,0.8046602029707216,0.18694424111217375,0.43095871832194127,0.29711370424862066,0.48343866577501254,104.45806277083398,1732.2166718971662,3276.135970975898,0.7069903044560824,1.2115110883455744 +UMLCN0134,L,methyl hexanoate,CCCCCC(=O)OC,Esters,,C7H14O2,Marquardt (2015),IQT,PubChem,,25.3,0,-0.7667000000000003,0.5878288900000004,31.171100000000003,23.259101999999984,0,0,23,9,14,0,7,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1536.0097449999985,1467.3118039999995,1650.1928719999985,1454.2731549999978,1137.9475889999983,898.9062680000002,702.149539,307.65789700000016,78.738912,3832.5722882070486,4632.085644161373,5676.308337088204,5555.077130152727,4721.063407739217,3654.72663749328,2647.9282925381544,1675.7842339403048,874.9221648086931,173.54554000000005,167.45108000000005,301.955216,347.1981159999999,316.9281,265.94048000000015,203.05558000000016,140.26646800000003,83.01657599999999,27.033288667885984,33.55214034000001,44.47415889649003,45.35952181128205,38.830045529886036,30.871890141583982,21.850361282187983,14.232906895094004,9.348943289094002,3847.310192574487,3237.717433675601,6440.167479958542,7792.668111658284,7022.167553718938,6097.165480737384,4618.210325698788,3113.018666976894,2028.241198422894,95.02777777777777,60.75000000000001,103.91666666666666,108.33333333333331,106.58333333333333,79.41666666666666,70.5,50.0,18.0,66.78303239130427,66.69599109090906,41.25482179999996,30.941982021276548,27.093990214285675,24.96961855555556,26.00553848148148,17.092105388888896,6.561576,166.63357774813255,210.54934746188061,141.9077084272051,118.19313042878142,112.4062716128385,101.52018437481334,98.07141824215387,93.09912410779471,72.91018040072443,7.545458260869567,7.61141272727273,7.5488804,7.387193957446807,7.545907142857142,7.387235555555559,7.520577037037043,7.792581555555557,6.918047999999999,1.175360376864608,1.5250972881818186,1.1118539724122507,0.9650962087506819,0.9245248935687151,0.8575525039328884,0.8092726400810364,0.7907170497274447,0.7790786074245002,167.27435619889073,147.16897425798186,161.00418699896355,165.8014491842188,167.19446556473662,169.36570779826067,171.0448268777329,172.94548149871633,169.0200998685745,4.131642512077295,2.7613636363636367,2.5979166666666664,2.304964539007092,2.5376984126984126,2.206018518518518,2.611111111111111,2.7777777777777777,1.5,0.2730683039890436,-0.1539415867611474,0.031960937603030294,0.013730048148286676,-0.037960812629593055,0.008298327978035102,0.030620113170265046,-0.04139429949545817,0.0011134033507147955,799.1117028695655,-15.004761005670908,-49.35780646880909,23.678236223062385,-254.09228976181456,11.341998638941362,2.6163963705103015,-266.12444763705093,-47.408599497164545,1081.7952715197541,-149.5950004293884,-203.54000365047176,-13.00933919733556,-214.65789486320466,17.308911354428552,16.14615326237729,-114.45075098137913,-137.74841932410433,1.9759259130434768,0.013204083175804238,0.6492133686200389,-0.16024930056710873,-0.632921058601132,-0.20074247258979272,-0.2702549413988653,-0.6645868884688066,0.10394091493383567,4.769103566737999,-1.0663262558759914,-0.8178372399139959,-0.36692356730200004,-0.5069440115040014,-0.07940847481600262,-0.0821087321120026,0.33223619897599777,-0.702102945870001,26.677999935111906,-6.490143963855434,-3.9563246155447387,-2.6220089243486933,-2.2357735789759214,-0.8090844413142874,-0.8525281949422313,3.0027721195007766,-3.9115787931346424,38.15700483091788,0.35827557235874835,9.933469859273261,-1.1010291955471558,-14.42800882167612,-4.539224952741023,-1.9017013232514168,-10.847511027095148,0.4977945809703832,0.011872534956045374,-0.006997344852779427,7.990234400757574E-4,2.921286840060995E-4,-9.03828872133168E-4,2.3050911050097507E-4,0.0011340782655653722,-0.0022996833053032318,9.27836125595663E-5,34.74398708128546,-0.6820345911668594,-1.2339451617202273,0.5037922600651571,-6.049816422900347,0.31505551774837115,0.09690356927815931,-14.784691535391719,-3.950716624763712,47.03457702259801,-6.7997727467903815,-5.088500091261794,-0.27679445100713956,-5.11090225864773,0.4808030931785709,0.5980056763843441,-6.358375054521063,-11.47903494367536,0.08590982230623811,6.001855989001926E-4,0.01623033421550097,-0.0034095595865342282,-0.015069549014312667,-0.005576179794160909,-0.010009442274032047,-0.03692149380382259,0.008661742911152973,0.20735232898860864,-0.04846937526709052,-0.020445930997849898,-0.007806884410680852,-0.012070095512000032,-0.0022057909671111837,-0.003041064152296393,0.018457566609777654,-0.05850857882250008,1.1599130406570395,-0.2950065438116107,-0.09890811538861846,-0.055787423922312625,-0.05323270426133146,-0.02247456781428576,-0.03157511833119375,0.1668206733055987,-0.32596489942788687,1.6590002100399077,0.016285253289034015,0.24833674648183152,-0.023426153096747997,-0.34352401956371714,-0.12608958202058396,-0.07043338234264507,-0.602639501505286,0.04148288174753193,-0.5893724363571109,0.0673001547718251,0.02460541788991327,-0.07612770781297616,0.01941532380021355,0.09552115616117104,-0.19369774979118984,0.007814979101183596,-0.019630291410459084,-0.0355153586384126,0.014500128004494921,-0.1741255662093838,0.009067914888734027,0.0027890745253688963,-0.42553238063329124,-0.11370936258756931,-0.14456965869010358,-0.10818636869673555,-0.005884914216920718,-0.10866266015727473,0.010222332667041239,0.0127141714508675,-0.13518512245716907,-0.24405523915225596,0.006986227916532563,0.18892291684233234,-0.03968765730163374,-0.17541124646486939,-0.06490736035146018,-0.11651103453982163,-0.42977034304890693,0.10082366228481912,-0.2337537056058497,-0.098604781039007,-0.03765033384847942,-0.05821056156385458,-0.010637888553604641,-0.014666168290125453,0.08901547766454873,-0.28216986569615227,-0.2543350522591784,-0.08527200912629743,-0.04809621235977441,-0.045893702713418486,-0.01937607995298933,-0.027221970289520878,0.1438217068506292,-0.2810252906918282,0.009816305742747475,0.14969060581122995,-0.014120645045719719,-0.207066893352264,-0.07600335506741789,-0.04245531852039414,-0.3632546264058576,0.02500474773691201,1.5841095210528884,0.9849432293696113,0.9253127293793336,1.0655725105725944,0.8975356927340836,1.0951575473656991,1.4642131236149682,0.16155865687467216,1.090358551715793,1.0345480989469893,0.9154854144183351,1.1608641388363339,0.9113844724867628,0.9682892126983753,1.4940767468446996,0.8332540333334163,1.5045036235286449,1.1685034397241505,0.9712718641101862,1.0301600335996635,0.8767927454497717,0.8299223045504112,0.9187159827772313,1.1445795766663365,0.7098990861653502,0.7631068503360539,0.877888630421971,1.3153111720511368,0.9966334085596088,1.3092849569897564,2.1295806324409323,0.0660136086778117,1.7141808475202938,1.1926836518308168,1.0035311235262558,0.9740955817777367,0.8750054301678154,0.8227730434225827,0.6588691895568585,1.1606654142039512,1.7470150133538285,1.185335400586835,1.0096071969175313,0.9678957056040491,0.8787380607187053,0.8377035656261452,0.6262038035287623,1.127071739245933,0.5547255808064822,0.5209106159397352,0.9277178941867495,1.610721746443719,1.0049851237576752,1.239437164581179,2.0740330442489077,0.14414129265050324,45.59740544576468,23.048702722882354,36.908879340033764,45.98629433465359,5.109588259405955,23.048702723278108,0.5000000000000249,0.18950346821172176,0.02105594091241353,-1.4970131574464807,36.26179794465115,4.029088660516795,3.231688310002792,45.60748958593734,23.053010372067362,36.91414562160577,45.99523604231308,5.1105817824792314,23.05301037246127,0.49853115819738747,0.18930045436125897,0.021033383817917663,-1.4979778384966065,36.261975300577355,4.029108366730817,3.231692711878934,54.74364989230453,26.972830468094237,41.932794166968925,54.12299181532538,6.013665757258375,26.972830468100472,-0.797988956116054,0.006888766307291683,7.654184785879647E-4,-4.480076938980962,43.36581460349431,4.818423844832701,3.3927043038973186,45.618073731955796,23.05753166619683,36.91967364038671,46.00462119896302,5.111624577662559,23.057531666588805,0.496989600437864,0.1890873806727697,0.02100970896364108,-1.4989914352465774,36.262173836847275,4.029130426316364,3.2316976394139703,64.72824044694963,31.281825959135652,48.02401759560476,63.04467159131093,7.004963510145659,31.281825959135727,-2.1645885286783155,0.1816001190951202,0.02017779101056891,-1.5353533413045233,50.60424359393804,5.622693732659782,3.531631894442777,46.65669050038687,23.501479436071726,37.46522542049245,46.926010345086425,5.214001149454047,23.5014794363141,0.34626837175657954,0.1682066233916339,0.018689624821292654,-1.6043059387323362,36.34404549733141,4.038227277481267,3.2337273422780393,48.22765983768659,24.288707410964584,40.26823329838698,48.69279777116702,5.410310863463002,24.288707411107822,1.174603174603181,0.28970994267832556,0.03218999363092506,-1.114987548774623,37.14223188271815,4.12691465363535,3.253279183102533,0,11.996320061010241,15.998259298781898,-0.3495891231467664,0.26121574071967657,3.9968224447947973,7.054206273901197,8.0,22.0,21.0,21.0,7.0,1.0,1.0,0.0,0.0,1.0,18.178897999999997,3.5483265628690885,3.264966178796835,2.8155690994405433,2.537774284307779,2.0494729308044093,1.511704076075853,1.168822574262457,1.0851603480278675,1.8711932831182325,1.599497674033513,1.4162284583737663,1.1569200865527034,0.7999384210996201,0.5694737183590257,0.40094804305378673,0.08392307051869093,3.4991994217421856,3.197380462671462,2.7959573849078567,2.5068294101626494,2.038015645648529,1.5688930346010401,1.2781050616632603,0.6342167028132308,1.8251172735658021,1.5900398408109326,1.3627873728939917,1.090289639005475,0.7424451462731032,0.48930849100248525,0.36352774046709607,0.2709139018929366,3.652169787838472,3.4057513852704853,3.053613671409357,2.777630857989292,2.3732565384627984,1.9864527832527097,1.7584096135016225,1.2559498941496627,1.6336593738618101,1.3362437146052573,1.0338349723420626,0.7615736409042003,0.33927647656279897,0.005659840823146913,0.17184961249800595,0.9439184268026213,3.5066013952804607,3.187439316302914,2.8053509969403505,2.5259595629078695,2.0553611234196905,1.6197395965270456,1.3590942999342528,0.46514421484175755,1.804251706751562,1.5888849911962646,1.3208328987971178,1.0517008862250263,0.7078917476173496,0.42579080634445926,0.2691949542524971,0.3992772455089816,3.690921526226464,3.441470124762763,3.1371499086406036,2.86028617868444,2.475100364193112,2.143780586341458,1.9555031450743068,1.209058027848014,1.5857468563031833,1.294911788316221,0.9538613496903653,0.6739480944072269,0.24166440064825823,0.14017769873671085,0.3613260130203226,1.2076448229620869,4.91547007452745,3.442922778209134,3.3155431063131786,2.9991445540833586,2.410657628004039,1.9599267755032157,1.755114048968752,1.4914997239268377,1.7494986321114039,1.363043846888588,1.0361560059567336,0.8448419362828707,0.43039284458944693,0.16070098874904076,0.19435556504211832,0.5999999999999994,0,0,1,0,0,1,4,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.49279927982674443,0.348461712529338,0.24639963991337221,0.10059223176554563,0.07112944921610614,0.050296115882772816,7.112884175122364,4.3080604124904465,3.0092019217677626,1.9974002407106257,0.946923425058676,0.5350747745081851,0.348461712529338,0.10206207261596577,0.7903204639024849,0.5385075515613058,0.3761502402209703,0.2853428915300894,0.1893846850117352,0.13376869362704627,0.116153904176446,0.10206207261596577,6.144923705673916,3.3771567527075472,2.033239394346625,1.2121251317525819,0.6213996399133722,0.299230856264669,0.15309310892394865,0.051031036307982884,0.6827693006304352,0.4221445940884434,0.25415492429332814,0.1731607331075117,0.12427992798267444,0.07480771406616725,0.051031036307982884,0.051031036307982884,12.22239283533483,22.876183539694097,21.776470588235302,22.12,13.550360479041911,177.5068275449102,0.5314083841449926,0.9946166756388738,0.9468030690537088,0.9617391304347827,0.5891461077844309,7.717688154126531,1.7396999999999998,36.15799999999999,25.411910189540066,39.687612790548684,50.82382037908013,5.647091153231126,25.41191018957151,0.0897975787585345,0.009977508750948279,-2.169177539973587,37.381945530344915,4.153549503371657,3.2590690632303767,85,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.922236394557824,-0.09402777777777738,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7118905895691612,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.533291761148904,0.0,3.8051662887377167,0.0,0.0,0.0,0.0,0.0,0.0,-0.09402777777777738,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.464401927437642,4.457834467120182,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.457834467120182,-0.09402777777777738,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25286281179138326,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.424880007558579,0.0,0.57375,0.0,0.0,0.0,0.0,0.0,0.0,-0.09402777777777738,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.464401927437642,4.457834467120182,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.464401927437642,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5125,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.108411753590325,0.0,1.1497959183673467,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.464401927437642,4.457834467120182,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,22.166666666666664,2.462962962962963,0.5668509070294784,10.464401927437642,0.25286281179138326,-0.09402777777777738,3.3737301086545726,1.7606944444444441,3.4644019274376414,9.061296296296295,1.7606944444444441,3.4644019274376414,9.061296296296295,4.16666,0.46296,0.0,0.03704,0.52319,0.87037,0.42414,0.52319,0.87037,0.09905,0.0,-0.09905,0.0,0.53191,0.18238,0.0,0.32,0.12,0.0,6.25,0.69444,4.75,0.52778,1.5,0.16667,-3.25,-0.36111,0.0,0.0,6.91544,0.76838,9.9223,3.00686,0.3341,3.18293,0.35366,4.30805,1.12513,0.12501,0.10595,0.01177,0.10595,0.01177,0.0,8.02,2,2,2,2,0,0,0.8571428571428571,1.2646726793957221,1.9993073294931032,3.348798912202497,3.675310868912363,3.4642346527265664,3.7622673906514943,29.08747162610161,45.98406857834137,77.02237498065743,84.53214998498434,79.67739701271103,86.53214998498437,0.2795745237229117,0.44197633389679714,0.7403013255336278,0.8124816029083345,0.7658200962823078,0.8317046228611611,3.258889276661291,2.52425462656391,1.174763043854516,0.84825108714465,1.0593273033304467,0.7612945654055188,0.2795745237229117,0.44197633389679714,0.7403013255336278,0.8124816029083345,0.7658200962823078,0.8317046228611611,11.608038931487028,20.7710386126556,24.40354893961548,23.776774561269768,23.564046666937877,24.820252822139327,32.94327953276238,20.869714238882647,17.354139646246566,17.474831235519503,18.10523139234517,16.158190214968013,9.0,6.125,5.877551020408164,9,3,6,2.01,1.1693000000000007,0.14285714285714285,2.5764740294461417,0.6324555320336759,0.0,3.965406456500188,1.8072040072196898,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,3.8569999999999998,8.0,7.0,5.0,4.0,3.0,1.0,0.0,0.0,0.0,45.0,2.302585092994046,2.3978952727983707,2.302585092994046,1.9459101490553132,1.791759469228055,1.6094379124341003,0.6931471805599453,0.0,0.0,0.0,3.9889840465642745,1.1777777777777778,0.42857142857142855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.625,7.0,0.875,0,4.0,7.0,0.75,1.5,0.666666666666667,0.25,0.16000000000000003,0.1111111111111111,0.04081632653061225,0.0,0.0,0.0,0.0,0.1875,0.08333333333333337,0.03571428571428571,0.03200000000000001,0.027777777777777776,0.01360544217687075,0.0,0.0,0.0,0.0,0.37993083900226765,25.411910189540066,39.687612790548684,50.82382037908013,5.647091153231126,25.41191018957151,0.0897975787585345,0.009977508750948279,-2.169177539973587,37.381945530344915,4.153549503371657,3.2590690632303767,26.3,144.57234578218896,4.169925001442312,3.4965075614664802,4.143134726391533,4.8283137373023015,5.501258210544727,6.19644412779452,6.876264611890766,7.575071699507561,8.25712628599743,8.957381735582787,72.83150269647811,2.833213344056216,0.0,3.8918202981106265,0.0,5.117993812416755,0.0,6.411818267709897,0.0,7.739359202689098,8.053251153549096,130.099379688,5.656494769043478,16.65751855230301,1.8508353947003344,5.1207829911473794,5.1207829911473794,0.0,110.0,7.0,2.201,32.0,1.2332272727272726,2.1156626928122533,2.8626379706461047,3.6181013324991915,4.869059933586249,5.872890351802295,7.151454554330872,8.218558729637289,9.206464990834847,0.0,92.90307534131817,96.48572754933545,100.3001323300404,119.42995730181667,139.3443689280764,174.8171475440782,134.04514505454333,57.37067149721256,9.35435764444762,0.0,281.9160909398826,321.25730919726453,366.6716945681521,464.1923224253602,537.8241333385698,626.7819959232485,702.5309275652053,625.1924065137201,286.17140488741717,0.0,9.447098998727272,16.067743473260304,21.20918030752275,27.35500377288259,36.150513668491726,44.40618476660583,55.90064077895349,56.98033303426882,61.85330360818427,0.0,1.992608666291818,2.470228825649813,2.9209777564339463,3.708275048310022,4.424366344503036,5.04051841432621,5.8809203734541216,6.610619207196581,4.0933131429657035,0.0,179.7781318038599,337.27390139787326,471.2347513451675,592.4862502451201,816.8983509222393,994.0461283591345,1230.109083901553,1379.2286329744786,1702.437889548629,0.0,3.5020946969696967,5.756406969620741,6.691373754345841,9.1531499982443,11.040901901365572,15.790641928400976,20.033956047930626,12.638357103542385,9.206464990834847,0.0,0.4504673863636365,0.5754669849140555,0.6819736486799153,0.8794994011639561,1.0597993721730898,1.2631110344585244,1.4799273564408242,1.4497446701641994,0.9427420150614884,0.0,389.94527938831163,313.1594638540216,14.187215523214254,179.18228325012805,-143.89872302793538,-21.777118777066775,210.76299613818358,457.058186881957,35.96433430028103,0.6851632305076734,0.5502447683296763,0.024928006398852322,0.3148367694923264,-0.25284089626731465,-0.03826403816414973,221.92860642063525,178.22768238039993,8.074335391353166,101.97757613413592,-81.89672950367279,-12.393958530879816,0.32522948703089505,0.39715732677705445,2.086517871516827,6.967323289473377,514.041658046997,55.08590459144287,0.9032099160053538,0.09679008399464623,648.0661597754145,25.457143590265865,8.65379191462369,783.6846649204416,27.994368450108706,9.219636166382772,1070.552975299309,32.71930584990013,10.229852871205573,2.764764614505994,2.764764614505994,1036.5300699387165,982.1664450230752,74.42225425582933,1.055350725114992,13.92768977912984,13.197214392980367,4.520924510513243,5.363411326476321,9.78590005800687,0.8245663929781155,3.9178338056742446,5.24154568836126,5.0886248378478465,17.53556010596045,8.606211243791254,1.5518472567494364,3.805414553919742,8.324727609598325,7.9020173141745005,1.18824737604769,3.936878646410329,1.8906433012770327,6.4691736018255925,0.011454022275383379,2.915699972406397,1.3416978603780423,4.119201942311213,0.5522259746440696,0.020431049314023998,1.427816723754625E-22,1.9246155190104067E-64,5.003701655942943E-128,2.5090813117585623E-213,2.427E-320,0.0,0.0,0.0,0.0,0.0,0.0,0.34530416328681535,5.392468714640748,0.48445200217372153,4.888425380393125,0.2878503407555457,1.0723670071423805,0.5303651969699147,0.3382163973271443,3.442067660658854,0.050705334188347405,1.9402672304512598,1.0562460963886973,0.4784006334428581,0.005785487610346208,0.11925721054135684,0.94604143304852,0.1788236367356164,0.003889382983857543,1.4389755086924546E-4,1.005622993124548E-24,1.355522446712714E-66,3.5241479891899186E-130,1.7671664834464644E-215,1.7E-322,0.0,0.0,0.0,0.0,0.0,0.0,1.0672664945132655,5.111389100614029,1.0368084370744761,5.4869534038792995,1.1082655849331113,0.9525022737633781,1.0773901686044245,1.2226838900891572,3.4711839092982615,0.19598106162184642,1.8209137157144024,0.7530483027687573,1.098123824024058,0.004816070589606432,0.33726840308484385,0.9994214621020027,0.6872215037190872,0.04053028861713087,0.0014995234256524217,1.0479366927760908E-23,1.4125589008046329E-65,3.67243391797407E-129,1.8415237250032573E-214,1.78E-321,0.0,0.0,0.0,0.0,0.0,0.0,3.7032306254356495,5.392104872556366,5.7938087766405,17.108390179753556,8.03533589138343,1.7777272230548258,3.8804247474721247,7.726374095197212,8.800446734133958,1.0878581482519287,3.950938699001081,2.2129456333102295,6.871431515334585,0.012295375486551203,2.922352464667277,1.3077892543011775,3.7732890496714564,0.49202340847040743,0.018203697107531492,1.2721589951063554E-22,1.714797777541051E-64,4.4582080910899274E-128,2.2355462764249395E-213,2.162E-320,0.0,0.0,0.0,0.0,0.0,0.0,1.5653727020140302,5.004591042213526,1.246079693312967,6.322827361141594,1.8689317942621193,0.89346399532594,1.4158999212272945,2.012198326601934,3.5317493100666053,0.3215168952357584,1.9115833523306014,0.6590444658250498,1.4536951756729986,0.004881971495104004,0.5149442796439369,1.04419542642977,1.1240846883563216,0.08803717747712182,0.0032571652567755668,2.2762585289559538E-23,3.068266688029986E-65,7.97701720479954E-129,4.000035607312251E-214,3.873E-321,0.0,0.0,0.0,0.0,0.0,0.0,4.731374742521919,5.337037471299917,7.084567457098528,23.580807120964423,12.057692333350706,1.9001473613920943,4.798533875696791,11.45075587296262,10.012300593939576,1.5948574976314163,4.874403116511784,2.464702067432698,9.111549705171228,0.013857051559257726,4.231318223045579,1.4782448036921214,5.518824500944229,0.8053696513846007,0.029796765282354143,2.082336503134656E-22,2.806870856083037E-64,7.297428609440999E-128,3.659259285791732E-213,3.5395E-320,0.0,0.0,0.0,0.0,0.0,0.0,2.4652271186315238,5.339543861145759,6.1165886750633875,13.78515878379904,5.126156678998076,2.6446919169411096,3.0563266280290167,4.466494258376989,12.633690119539388,0.5268918704745016,3.3026648663247764,5.236865531119285,7.68030714006537,0.015134578349830627,1.854210139700991,1.5609060611021606,2.1844246883416614,0.19880139906319647,0.007355177753048641,5.1401402055166514E-23,6.928615868437466E-65,1.8013325961394601E-128,9.032692722330827E-214,8.735E-321,0.0,0.0,0.0,0.0,0.0,0.0,9.236079731148399,0.7323725819760867,0.43267149130434746,0.8879886351526405,0.07041283189651487,0.5317070584696525,0.5558153160256806,0.5217211651392415,10.401123804428833,11.077316688353998,24.4051393028223,0.8319829527289608,1.6092435396345746,7.826848089815812,0.5003712911462301,0.07705113301942584,0.9312941648885471,0.05953774218878428,0.3818342535615985,0.2616668771425166,0.01654550217731583,8.404270513981468,4.5579517725109895,13.26397995676634,0.8969412473328208,0.660046632881431,8.35501306793251,0.525930896182671,0.2205774794759633,0.9179798256494478,0.05778494281887411,0.4351025531452852,0.28661354449928594,0.1355951743995886,9.101521443591146,6.353095745407469,16.42386981822585,0.8769697384741718,0.8573112720441597,9.160847171103715,0.738613603106872,0.4106170783151328,0.8885332683360416,0.07163996370075222,0.5230713367797358,0.5664893587136876,0.46988968499829675,10.310077852525719,10.831213996561925,23.919661000332773,0.8327999025040626,1.5594503804917201,8.63456454226263,0.5587904228736842,0.2932309642304809,0.9101867211821022,0.058903216292373994,0.46472558012171444,0.32253564789033184,0.23963020066076737,9.486585929366797,7.520688312841056,18.42208783205559,0.8652800817731534,1.0268914286728137,9.340249421272869,0.7643254805931825,0.4565031391833756,0.8844030301611854,0.0723719186263331,0.5437649512321298,0.605771597630005,0.5807770295868009,10.561078041049427,11.751760790589982,25.571810463819205,0.8266045452417781,1.7303135784489356,9.173935407031031,0.744546615299488,0.4139626528735634,0.887876557330788,0.0720590952774477,0.5245660298531526,0.5779208405943681,0.47757789544583384,10.332444675204082,10.936303686723772,24.0962882035734,0.8318148359961819,1.5800647658933544 +UMLCN0135,L,methyl valerate,CCCCC(=O)OC,Esters,,C6H12O,Marquardt (2015),IQT,PubChem,,13.3,0,-0.47870000000000046,0.22915369000000044,28.259500000000003,20.16551599999999,0,0,20,8,12,0,6,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1389.7134959999987,1298.8335069999998,1456.4843349999987,1257.5164259999983,941.1908599999999,702.149539,307.65789700000016,78.738912,9.144576,3346.887897595858,3979.0955096710077,4762.761225425871,4548.278785197602,3714.2650627840976,2647.9282925381544,1675.7842339403048,874.9221648086931,279.75369987837234,152.568096,145.67530000000005,259.22570800000017,284.3132160000001,254.04320000000018,203.05558000000016,140.26646800000003,83.01657599999999,60.46617599999999,23.355162858187985,28.536151720000007,36.78646875164103,36.33799295188602,29.808516670489986,21.850361282187983,14.232906895094004,9.348943289094002,4.001516143641,3350.6805324359884,2804.6779821598006,5515.965280992692,6313.712956619687,5543.21239868034,4618.210325698788,3113.018666976894,2028.241198422894,1664.258868218241,90.77777777777777,55.50000000000001,94.66666666666666,96.08333333333331,94.41666666666666,70.5,50.0,18.0,9.0,69.48567479999994,68.35965826315788,42.83777455882349,33.092537526315745,28.52093515151515,26.00553848148148,17.092105388888896,6.561576,1.016064,167.3443948797929,209.42607945636883,140.0812125125256,119.69154697888426,112.55348675103326,98.07141824215387,93.09912410779471,72.91018040072443,31.08374443093026,7.6284048,7.667121052631582,7.62428552941177,7.481926736842109,7.6982787878787935,7.520577037037043,7.792581555555557,6.918047999999999,6.718463999999999,1.1677581429093993,1.5019027221052634,1.0819549632835597,0.9562629724180532,0.903288383954242,0.8092726400810364,0.7907170497274447,0.7790786074245002,0.444612904849,167.53402662179943,147.6146306399895,162.2342729703733,166.15034096367597,167.97613329334362,171.0448268777329,172.94548149871633,169.0200998685745,184.917652024249,4.538888888888889,2.921052631578948,2.784313725490196,2.528508771929824,2.8611111111111107,2.611111111111111,2.7777777777777777,1.5,1.0,0.26881644522422665,-0.15399438614213853,0.03372353288019377,0.012855181549344712,-0.03320303675652571,0.035210379000252,-0.04115926230531658,0.0011195751125786784,0.011039794049498354,715.056216,-13.739644999999548,-1.8115369999997029,15.127146000000039,-265.92643599999985,7.5243549999999,-265.655591,-40.40640000000016,207.35999999999967,931.264605291653,-148.2416010684338,-122.40509514690085,-14.148842127545947,-215.6424858067458,19.169803564370426,-112.61105357752074,-135.63050651762597,263.8774780345759,1.9334687999999982,0.0014502400000006679,0.6197982400000006,-0.22837152000000027,-0.7381139199999979,-0.2748204799999998,-0.6936003199999982,0.1378915199999979,0.20903183999999783,4.0971189448752,-1.0721536292656342,-0.5070856292656375,-0.3695698194520797,-0.5137156908104809,-0.0930276587781218,0.32305297175931813,-0.7061549000875206,0.8900948834625572,23.016738037255177,-6.548761718656605,-2.379522921781623,-2.6645838029040796,-2.3271527193724815,-0.9579252816811306,2.9077315726423096,-3.9416322799255195,4.40347813305154,37.42222222222226,0.021111111111111858,9.515555555555556,-2.624444444444448,-16.813333333333347,-2.0200000000000027,-11.413333333333332,1.0133333333333334,3.6100000000000003,0.013440822261211332,-0.008104967691691502,9.918686141233463E-4,3.3829425129854507E-4,-0.0010061526289856274,0.0013040881111204443,-0.002286625683628699,9.32979260482232E-5,0.0012266437832775948,35.7528108,-0.723139210526292,-0.05328049999999126,0.39808278947368525,-8.058376848484844,0.27867981481481113,-14.758643944444445,-3.3672000000000133,23.039999999999964,46.56323026458265,-7.802189529917568,-3.6001498572617896,-0.37233795072489334,-6.5346207820226,0.709992724606312,-6.256169643195596,-11.302542209802164,29.319719781619547,0.09667343999999992,7.632842105266672E-5,0.018229360000000017,-0.006009776842105271,-0.02236708848484842,-0.01017853629629629,-0.03853335111111101,0.011490959999999826,0.02322575999999976,0.20485594724376002,-0.0564291383824018,-0.01491428321369522,-0.009725521564528413,-0.015567142145772147,-0.003445468843634141,0.017947387319962118,-0.05884624167396005,0.09889943149583968,1.1508369018627589,-0.3446716694029792,-0.0699859682876948,-0.07012062639221261,-0.07051977937492368,-0.03547871413633817,0.16154064292457276,-0.32846935666045995,0.4892753481168378,1.871111111111113,0.0011111111111111504,0.27986928104575165,-0.0690643274853802,-0.5094949494949499,-0.07481481481481492,-0.634074074074074,0.08444444444444445,0.40111111111111114,-0.6030112990245773,0.07379523327123855,0.02516916336843642,-0.07485796697790345,0.09702442944163414,-0.17012543125636276,0.006941385298834751,0.09126255517994221,-0.020226079973725927,-0.0014902464675586083,0.011134307501039479,-0.22539142149027466,0.007794626732251528,-0.412796745604249,-0.09418000779955497,0.6444248573597454,-0.16756117403332604,-0.07731744204182003,-0.007996394335384082,-0.1403386480038311,0.015247926756197436,-0.13435858310616866,-0.24273535460445078,0.6296753815192453,7.895490328332868E-4,0.18856637355617048,-0.062165749373408824,-0.23136746230245286,-0.10528782565610884,-0.3985929445679293,0.11886367134550954,0.2402496487142671,-0.2754576527634623,-0.07280375998041479,-0.04747492906786798,-0.07599067713298388,-0.016818983729744226,0.08760979391340956,-0.2872566916689919,0.48277549578855194,-0.29949653929682774,-0.060813107551916906,-0.060930116403735836,-0.061276953546396964,-0.030828620527297904,0.14036797278841256,-0.2854178173543057,0.42514742734169425,5.93824228028524E-4,0.14957384378929706,-0.03691086385798226,-0.27229540056143375,-0.03998416468725259,-0.33887569279493235,0.04513064133016623,0.21437054631828958,1.5856198584450039,0.9908086185706398,0.9820709675001978,1.15480791704588,0.9503927615152714,1.2836249859267925,0.14169555504860903,0.03246340693819008,1.0492213803788546,0.9854795860348058,0.9235486745282698,1.2310222693206005,0.9345516708401113,1.4420194935725477,0.8042214442479585,0.0,1.505949527673917,1.108973626588285,0.9634530379495865,1.036983297090566,0.8326075382826793,0.921688510607609,1.1482828916292889,0.0,0.7132217494277646,0.7786660279122354,0.9460706063630308,1.463378120916118,1.1555761947224181,1.879569967143453,0.058263676145174914,0.0,1.7496884531655599,1.1360315935803158,1.0021271007902273,0.9634494182292123,0.827121206912106,0.6623511594358005,1.1667992600049757,0.0,1.787392881556645,1.130464694152968,1.012472645045342,0.9596103843840881,0.8385535008788324,0.6268391508160668,1.1282152678672739,0.0,0.5589370546318283,0.5321931325974565,1.003748515439429,1.7962508097603092,1.0914406835576658,1.8263806413301644,0.12692992874109252,0.0,34.473668760798446,17.486834380399223,27.807029697158793,34.848668760798446,4.356083595099806,17.486834475055193,0.5,0.1950535048706879,0.024381688108835987,-1.3075850992820295,36.9384734438713,4.617309180483913,2.887402918903562,34.48338656081097,17.490958859504182,27.812168909944873,34.85728492945901,4.357160616182377,17.490958953731905,0.4985311581973946,0.1948117621952653,0.024351470274408163,-1.3085772069738952,36.973331305018526,4.621666413127316,2.8881575017764876,43.27507066639316,21.23854085513855,32.78067123450134,42.67657894930611,5.334572368663264,21.238540856871214,-0.7979889561160682,0.02038757861880991,0.0025484473273512387,-3.1142635638530605,35.33945621669822,4.417432027087277,2.8520000636663707,34.49358618379559,17.495287892116732,27.817563721769456,34.866328384123996,4.3582910480154995,17.49528798589709,0.4969896004378711,0.19455803976074187,0.024319754970092734,-1.3096198043983904,37.01009302710357,4.6262616283879465,2.888952527969285,52.847894748825965,25.341653110073825,38.92953402620568,51.22445335231723,6.403056669039653,25.341653110099305,-2.1645885286783155,0.221788591155602,0.02772357389445025,-1.2048245143359404,55.570436943603966,6.946304617950496,3.2141210801611395,35.494364096370816,17.920316234063716,28.350858987744356,35.754065375188276,4.4692581718985345,17.9203162929637,0.34626837175661507,0.16969137366980636,0.021211421708725794,-1.4190191526862062,41.81040822645271,5.2263010283065885,2.9865162473344307,35.97183542701107,18.195868667757452,30.151780414942102,36.41085494001936,4.55135686750242,18.19586872672638,1.173809523809517,0.3100215991224833,0.03875269989031041,-0.9368906474731606,27.59601411726905,3.4495017646586312,2.654137077002502,0,11.9963552290824,15.998258890633444,-0.3495875762290787,0.26121225153825894,3.957525958055415,6.780780077261777,7.0,19.0,18.0,18.0,6.0,1.0,1.0,0.0,0.0,1.0,15.992483999999997,3.537876413112313,3.1700204386540807,2.697857494144698,2.371136574358015,1.721015063846392,1.2243942203024434,1.085602511879797,0.08392307051869141,1.8409949116143605,1.5176511223659215,1.3703260760717,0.9728504901516456,0.6211962545479808,0.4012105620706437,0.0839230705186909,0.08392307051869101,3.4720086224184525,3.0942832320645213,2.6882038395588044,2.32043314174796,1.74003560955879,1.32202414325094,0.6342167040027061,0.2709139018929377,1.8010648779545257,1.5245680690793082,1.2910162741857525,0.9265525606620176,0.5661767578476616,0.37765903457451294,0.27091390189293674,0.27091390189293685,3.6352399296031233,3.325085980081014,2.9560771200629046,2.619366855891349,2.129097359424224,1.7931027739065493,1.2559498948759522,0.9439184268026231,1.602170136684823,1.2409681504122692,0.9597419105163933,0.5680718216659344,0.11163313474496707,0.14958293864977285,0.9439184268026211,0.9439184268026214,3.474404722227203,3.0788659865977013,2.7107196514302014,2.3269037734912796,1.7716227344671462,1.3965944482175547,0.46514421484175755,0.39927724550898264,1.7861882223960739,1.5250619825354577,1.2395228672577199,0.9022888956183351,0.5229196629415216,0.29140863106266135,0.3992772455089817,0.39927724550898186,3.6685474292412072,3.3640140371429834,3.0504533836129046,2.6955292525156898,2.259283091700702,1.9825809490927881,1.209058027848016,1.2076448229620893,1.5571934683569193,1.2002008680805387,0.8645469815540461,0.4884163670001369,0.00808364368202201,0.3298041313561884,1.2076448229620873,1.2076448229620875,4.858113500294181,3.386334447468946,3.2794587949144143,2.795506863713308,2.1185096739208973,1.8269463306100457,1.5281509505583835,0.59016393442623,1.7114293008215378,1.2284882192011972,1.0225655627107526,0.6322698723434063,0.22632947186084423,0.17560284906411375,0.5901639344262287,0.590163934426229,0,0,1,0,0,1,3,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.49279927982674443,0.348461712529338,0.2886751345948129,0.10059223176554563,0.07112944921610614,0.05892556509887897,6.405777393935816,3.808060412490447,2.655648531174489,1.7474002407106257,0.7567100029932011,0.49279927982674443,0.14433756729740646,0.0,0.800722174241977,0.5440086303557782,0.3793783615963556,0.29123337345177097,0.18917750074830028,0.1642664266089148,0.14433756729740646,0.0,5.437816924487368,2.8771567527075472,1.6796860037533516,0.962125131752582,0.4231763352100091,0.2165063509461097,0.07216878364870323,0.0,0.679727115560921,0.4110223932439353,0.23995514339333596,0.16035418862543033,0.10579408380250227,0.07216878364870323,0.07216878364870323,0.0,10.680565031548955,19.988346686088853,19.05098039215687,19.360000000000003,11.751805988023948,154.47857245508985,0.5340282515774477,0.9994173343044427,0.9525490196078434,0.9680000000000002,0.5875902994011974,7.723928622754492,1.3496,31.540999999999983,19.762798311268885,30.51630347207011,39.52559662253776,4.94069957781722,19.762798319332692,0.08223418383364317,0.010279272979205396,-1.9985473613146967,56.59442820477872,7.07430352559734,3.228728431001409,63,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.761805555555554,-0.1047685185185181,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4590277777777778,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.4592592592592593,0.0,2.5503703703703704,0.0,0.0,0.0,0.0,0.0,0.0,-0.1047685185185181,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.348472222222222,4.413333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.413333333333333,-0.1047685185185181,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2725,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.414675925925926,0.0,0.5624999999999999,0.0,0.0,0.0,0.0,0.0,0.0,-0.1047685185185181,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.348472222222222,4.413333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.348472222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5125,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.044583333333333,0.0,1.0506944444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.348472222222222,4.413333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.666666666666664,2.583333333333333,0.5923611111111111,10.348472222222222,0.2725,-0.1047685185185181,2.7384508796296294,1.7714351851851848,3.3484722222222225,8.61277777777778,1.7714351851851848,3.3484722222222225,8.61277777777778,3.66666,0.45833,0.0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0.0,-0.11359,0.0,0.51402,0.20027,0.0,0.36364,0.13636,0.0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0.0,0.0,5.60474,0.70059,8.4771,2.87236,0.35905,2.68293,0.33537,3.80805,1.12513,0.14064,0.10595,0.01324,0.10595,0.01324,0.0,7.02,2,2,2,2,0,0,0.8333333333333334,1.295461844238322,2.070950594454669,3.3464393446710154,3.546439344671015,3.5464393446710147,3.3303429399266467,25.909236884766436,41.419011889093376,66.92878689342031,70.92878689342031,70.9287868934203,66.60685879853293,0.29974164673650916,0.47917284808706234,0.7742931560174949,0.8205687986494468,0.8205687986494467,0.7705687986494466,3.0264662506490407,2.2509775004326937,0.9754887502163472,0.7754887502163474,0.7754887502163479,0.991585154960716,0.29974164673650916,0.47917284808706234,0.7742931560174949,0.8205687986494468,0.8205687986494467,0.7705687986494466,12.01211118826268,21.71746765285884,24.102154640161267,24.303719646561273,24.30371964656127,21.710562789628856,29.38046564681149,17.936322181636243,16.222210176344092,15.693438938389145,15.693438938389145,14.396860509922938,8.0,5.142857142857143,5.0,8,3,5,1.9000000000000001,1.0284000000000004,0.16666666666666669,2.249576847278282,0.7071067811865476,0.0,2.381101577952299,1.6509636244473134,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,3.3579999999999997,7.0,6.0,4.0,3.0,1.0,0.0,0.0,0.0,0.0,36.0,2.1972245773362196,2.302585092994046,2.1972245773362196,1.791759469228055,1.6094379124341003,0.6931471805599453,0.0,0.0,0.0,0.0,3.784189633918261,1.1944444444444444,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.5714285714285714,6.0,0.8571428571428571,0,3.0,6.0,1.0,1.5,0.666666666666667,0.25,0.16000000000000003,0.05555555555555555,0.0,0.0,0.0,0.0,0.0,0.21428571428571427,0.09523809523809527,0.041666666666666664,0.04000000000000001,0.018518518518518517,0.0,0.0,0.0,0.0,0.0,0.4097089947089947,19.762798311268885,30.51630347207011,39.52559662253776,4.94069957781722,19.762798319332692,0.08223418383364317,0.010279272979205396,-1.9985473613146967,56.59442820477872,7.07430352559734,3.228728431001409,26.3,127.27636115632227,4.0,3.367295829986474,4.007333185232471,4.6913478822291435,5.3612921657094255,6.052089168924417,6.729824070489475,7.422373700986824,8.10258642539079,8.795582216956426,69.52972464590545,2.70805020110221,0.0,3.7612001156935624,0.0,4.990432586778736,0.0,6.289715570908998,0.0,7.623153068476902,7.934871565945177,116.083729624,5.8041864812,14.66013744428829,1.8325171805360363,5.106051599872661,5.106051599872661,0.0,76.0,6.0,1.632,28.0,1.2306315789473683,2.1076731946017624,2.8590553870421567,3.6160716575368164,4.838164536013782,5.8400623047687015,7.073539644723467,7.877375406000537,0.0,0.0,94.58963280726316,99.82155581326664,105.73350208736869,123.85286907896412,142.572043975266,112.1951944589859,48.9732629571029,8.003917564522531,0.0,0.0,279.03863427749553,316.08106470737073,368.75459404956547,459.02427956170993,511.54567241292614,584.9137674674603,535.0392794820491,244.85832390661622,0.0,0.0,9.500427540631577,16.179382494069966,21.45586428637958,27.848600259473326,36.59642329437278,45.66402061637589,49.0272106870138,52.9238630797,0.0,0.0,1.9532182275978944,2.3947205640585087,2.881442417793475,3.591752274763932,4.114840429101264,4.883662578130218,5.665225947821263,3.502382761847969,0.0,0.0,180.06106863952277,338.62700422442487,471.78927838264167,595.9083660098495,820.886440656024,1001.4119373348383,1188.2323920455217,1456.6657641911847,0.0,0.0,3.698964912280702,6.172098189585879,7.325112696030972,10.233935001175835,13.036623550072907,16.25982410743753,10.84109924711244,7.877375406000537,0.0,0.0,0.44838710526315806,0.5692633714471594,0.6878281422262504,0.8798732157264464,1.033050064867003,1.224112772427141,1.2427466609084061,0.8066432415744551,0.0,0.0,355.0165613918483,266.22417219923483,13.12167706485465,180.56343046415503,-135.40311926945932,-22.28271089300467,174.45313092769328,401.6272914686941,35.40438795785932,0.6628637491881856,0.49707639614515725,0.024499938878191994,0.3371362508118143,-0.25281586565665426,-0.04160482324178313,190.13976705899245,142.58433997833743,7.0277076955319595,96.70616061748419,-72.51920151561448,-11.93417411860512,0.3482993577581362,0.42532957417984585,2.234523201554441,7.619016223769712,478.3581724155086,57.22181944049484,0.8931591539814663,0.10684084601853379,585.9845906292647,24.207118594109147,8.368136040822852,702.2290236107164,26.499604216114555,8.888454598065522,955.6066686623692,30.912888390805044,9.849776829053859,2.417165255553854,2.417165255553854,692.5795107054132,640.0512159848853,69.2576909752072,1.0820688929396056,10.000037554722148,9.241590456921386,4.117114554962351,4.466158665423346,8.55760443998408,0.9160995121459501,3.360032698802132,4.293028380651303,4.792292331387677,12.56268234184679,6.631361595108601,1.5518316161820727,3.011158560719144,9.152542768401254,3.291608822372747,1.3504214065012898,3.5648362312571034,1.4224379036840014,2.3269837058851044,0.86508468261668,0.2024664229562545,1.7161465877272457,6.3282887872021146E-9,5.3818202509356744E-39,8.827708674273216E-91,2.792818426449949E-164,1.7041715657598287E-259,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.29849178165817347,4.443993512284127,0.46233507006581875,3.8750327811675835,0.27378399662131436,1.0723514945675097,0.4078065318755161,0.44321861257233647,2.1417576776475578,0.08290240383565822,2.0334756176519897,0.0494837176057522,0.17460883233193908,0.0061357667746931455,0.01699075247352421,0.01208696073857821,4.4570655362602116E-11,3.790460007340776E-41,6.217427399302382E-93,1.9670048533082188E-166,1.2002619679720607E-261,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9161504201693799,4.162911005948904,0.9635987803016086,4.205748449788637,0.9629186172231733,0.9524867526358033,0.8177311375234972,1.3977881367578837,1.6537403503131671,0.28261291804568367,1.8999948833000018,0.19936080021741198,0.5140376251980464,0.0635438773351586,0.054848781188134015,0.12595544999169841,4.6446059303422707E-10,3.949951573651788E-40,6.479038716245264E-92,2.0497707140185089E-165,1.2507655113110399E-260,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1767118821680915,4.443592159787903,5.515990117500119,12.569085933421034,6.275672086903429,1.7777115965399166,3.1272921937465856,8.808608591333599,3.846337900182245,1.263686588321444,3.969288835881991,1.3071988201152775,2.159935889977598,0.7707836630111904,0.19111120118551822,1.529055712947011,5.638391377781185E-9,4.7951049517542694E-39,7.865329498749467E-91,2.4883509373417722E-164,1.518386183966859E-259,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3426554125194787,4.056109268940824,1.1363473553489174,4.6973207898644525,1.55360587805837,0.8934484631093292,1.0621235960572795,2.175748014294164,1.4649786489855503,0.43425474075397613,1.8724553299792215,0.33717064552140813,0.776695411821317,0.13796613191742543,0.08083757935999362,0.2735920683839901,1.0088704723730816E-9,8.579822636679996E-40,1.4073337863779014E-91,4.452375894796246E-165,2.7168298261448815E-260,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.057749123565566,4.388500860117674,6.717726120761924,16.785535019209384,9.178072843268838,1.9001316617360366,3.8520133321127394,12.658903844777955,4.225164046498959,1.7417582960538105,4.344365570451725,1.9606209323464054,2.985883234869127,1.261605186384819,0.24451030459576706,2.502838512044603,9.229214453600505E-9,7.84887904405761E-39,1.2874383459481463E-90,4.0730632015088E-164,2.4853740679365243E-259,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.093644793150448,4.422614834225524,5.769106793945531,11.172291042556683,4.271280011308028,2.558679253402856,2.5081388867755954,6.58233609373904,7.193357778629164,0.7342747037896801,4.283001010801412,0.6122451865994696,1.392942181700553,0.30137298110282873,0.14103160859290356,0.597722649205727,2.2041016576764147E-9,1.8744528474100063E-39,3.074633281875326E-91,9.727204194246528E-165,5.9355182725738716E-260,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.2896574722504095,0.7425933220803518,0.4149876150000001,0.8629633874424931,0.08790959673401527,0.544514366674828,0.510306567636252,0.49998143679227797,8.44723840933076,8.74653555936747,19.44020607363081,0.7944450811637395,1.5548023711033578,5.6866215680408665,0.5290951713656304,0.0720226439256198,0.9043984206971544,0.08414712174111172,0.3316596526180859,0.261190461174405,0.015059887550399172,6.287739383332117,3.456436366498861,9.96087488899795,0.8565976310457317,0.6079100013428901,6.398267094661337,0.5437098357642651,0.21052428159896586,0.8945495995030053,0.07601674150718027,0.4195733357865976,0.27433007721916514,0.12867316895786357,7.152501212024568,4.940255457368662,12.825128698368545,0.841824399254508,0.8225765819636264,7.16239760800096,0.7500048460537654,0.39194282833406224,0.8624879342614064,0.09031474734610537,0.5257109047905696,0.5211799104473562,0.4459940381831671,8.304345282388788,8.473042312124202,18.882838980699006,0.7937319013921095,1.492884853421093,6.746607283032208,0.5722868781861803,0.28199089060251475,0.8876081189276714,0.07529213693990552,0.4664218306706882,0.30322226018148213,0.23086269818828284,7.600885051820903,5.924856303102168,14.614506722926574,0.8314121783915073,1.000506789040453,7.37927604680924,0.7739360640754556,0.43749147825020485,0.8589838969816379,0.09008995084573652,0.5579852082794018,0.5542943475786152,0.5556774906345008,8.5907035891349,9.278048678272249,20.367304537430154,0.788475845472457,1.6679570464925177,7.178970890890422,0.7570298953820722,0.3955110451729106,0.8616648498049325,0.09086344839898497,0.52826370195179,0.5323976092041396,0.45415159243691583,8.331511831445404,8.573471547953393,19.05446550942274,0.7924972747073986,1.5148129035928455 +UMLCN0136,L,diisobutyl ether,CC(C)COCC(C)C,Ethers,,C8H18O,Marquardt (2015),IQT,PubChem,,59.7,0,1.0149000000000004,1.0300220100000008,39.579100000000004,26.884273999999973,0,0,27,9,18,0,8,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1428.370120999998,1467.8402879999996,1739.2656249999977,1541.5503739999976,1034.2259809999996,847.4766759999995,796.1714920000003,302.76288000000034,36.578304,4164.033390715742,5211.819509316955,6857.509821083245,6849.837173286424,5220.020018298144,4342.60814487245,4306.947079698876,3126.683726063614,1119.0147995134885,194.60819600000008,193.42824000000007,361.3824519999999,437.88908000000004,503.1117319999996,213.62382400000018,312.0057760000001,251.4447360000002,241.86470400000016,30.957436287281972,39.45587758000001,55.062607431886036,59.20609760958408,47.49517531505405,37.43202643939604,40.08763158122505,32.060418298188,16.00606457456401,4528.323870958982,3823.6586522022008,7892.527434267888,9708.424729284687,12281.130380196655,4615.544082140797,7580.079488372627,5893.95296940059,6657.035472872964,54.30555555555556,57.83333333333333,91.91666666666664,119.0,110.11111111111111,51.333333333333336,65.0,60.0,36.0,52.902597074074,56.455395692307675,35.49521683673465,25.692506233333294,14.988782333333328,28.249222533333317,17.692699822222227,8.41008000000001,1.016064,154.22345891539786,200.4545965121906,139.94918002210704,114.16395288810708,75.65246403330644,144.75360482908167,95.70993510441947,86.85232572398928,31.083744430930235,7.207710962962966,7.439547692307695,7.375152081632651,7.298151333333334,7.291474376811589,7.120794133333339,6.933461688888891,6.984576000000006,6.718464000000004,1.1465717143437768,1.5175337530769235,1.1237266822833885,0.9867682934930679,0.6883358741312181,1.2477342146465347,0.8908362573605566,0.8905671749496666,0.4446129048490003,167.71569892440675,147.06379431546927,161.07198845444668,161.80707882141144,177.98739681444428,153.85146940469323,168.44621085272505,163.72091581668303,184.917652024249,2.0113168724279835,2.224358974358974,1.875850340136054,1.9833333333333334,1.5958132045088567,1.7111111111111112,1.4444444444444444,1.6666666666666667,1.0,0.18651570174717527,-0.04148936517811753,-0.07392382364626787,0.06232889761237946,-0.06573540420836953,-0.002181207731785151,0.03312110582783366,-0.025003968055813282,0.019625914506552652,800.2177742962954,-22.997752729766404,-47.78755927846339,-414.98121769547384,251.72363872427934,-338.4400376625513,131.79884939506152,-483.4786461728403,524.0538382716043,1266.518059790474,-164.43822896117936,-18.402785377993677,-1048.842011167499,1031.9228100001903,-566.3056786396494,207.68400507006228,-898.808484642715,823.9313438235484,1.1226669629629633,0.057919517146778225,-0.19176271056241168,0.017653267489714023,-0.675446090534979,-0.0811037366255146,0.1056826172839479,-0.05414972839506321,0.25987338271604504,5.603020215168077,-1.0997618918560548,0.025078407010244774,-5.550169368597636,5.993816495011054,-2.330280517457404,0.8594244556144288,-3.988491015939206,3.288873328630549,30.804230646545797,-6.59065880440894,0.23744632350230743,-31.62920272413351,34.65439687454216,-12.30790729319952,4.585002879362607,-21.593132972931834,17.241940393993772,8.502057613168722,-1.822969059594574,-0.7918000304831566,1.1024234110653865,-3.3725422953818063,-1.9714220393232738,3.277434842249656,-3.965706447187932,3.2935528120713293,0.006907988953599085,-0.0015957448145429817,-0.001508649462168732,0.0010388149602063243,-9.526870175126019E-4,-7.270692439283836E-5,7.360245739518591E-4,-6.945546682170356E-4,5.451642918486848E-4,29.637695344307236,-0.8845289511448617,-0.9752563118053753,-6.916353628257897,3.6481686771634685,-11.28133458875171,2.9288633198902563,-13.429962393690008,14.557051063100118,46.90807628853607,-6.3245472677376675,-0.3755670485304832,-17.480700186124984,14.95540304348102,-18.876855954654978,4.615200112668051,-24.96690235118653,22.886981772876346,0.04158025788751716,0.0022276737364145473,-0.00391352470535534,2.94221124828567E-4,-0.00978907377586926,-0.0027034578875171533,0.0023485026063099533,-0.0015041591220850891,0.0072187050754456954,0.2075192672284473,-0.04229853430215595,5.118042246988729E-4,-0.09250282280996061,0.08686690572479788,-0.07767601724858014,0.019098321235876195,-0.11079141710942239,0.0913575924619597,1.140897431353548,-0.25348687709265155,0.004845843336781785,-0.5271533787355585,0.5022376358629298,-0.410263576439984,0.1018889528747246,-0.5998092492481065,0.4789427887220492,0.3148910227099527,-0.0701141945997913,-0.016159184295574624,0.018373723517756443,-0.04887742457075082,-0.06571406797744246,0.07283188538332569,-0.110158512421887,0.09148757811309248,-0.23099990826007236,-0.21839199111381336,0.15037878131885232,-0.13791090633059697,-0.010525049313368954,0.10654686608443227,-0.1005436854173269,0.0789179449345605,-0.029844727832886667,-0.03290594293772242,-0.23336340926341226,0.12309218496181766,-0.3806414249722899,0.09882223586770313,-0.45313787855875287,0.49116676900777356,-0.13482853632356975,-0.008006447465897648,-0.3726586457862719,0.3188236275452633,-0.40242230012890806,0.09838817700132302,-0.532251678743181,0.48791132750992233,0.05357527465175532,-0.09411977953436941,0.007075981241494305,-0.23542599957774782,-0.06501782395940263,0.0564811938555821,-0.03617483869758908,0.1736089539168738,-0.2038294316815974,0.002466297378235506,-0.4457553462162576,0.418596821803397,-0.37430749580987394,0.09203155683299438,-0.5338849668713306,0.4402366762474581,-0.22218200350571177,0.004247396131861503,-0.46205150809231776,0.4402127851818201,-0.3595972478904189,0.08930597096168819,-0.5257345952094041,0.41979478221266286,-0.22266177675180585,-0.051316751289092515,0.05834946757018396,-0.1552201271097271,-0.2086882865440465,0.2312923523717328,-0.3498305905130691,0.2905372700871248,1.2758516744422719,1.6390215742811058,1.1204044725180324,2.075161865426811,0.3067796149592675,0.1346354964022095,0.32898267978659596,0.0,1.381496713156823,1.1916233364351145,1.3189928175425105,0.8059588886964096,1.442310651182792,0.6993021339068081,1.3111915010752653,0.0,1.6269767174547367,1.1218506820292533,1.4385975850016839,0.349900442402603,1.6945788164618147,0.8216139716178498,1.5405261967834678,0.0,0.9245021313005719,1.579088390263269,1.2365667757807406,2.2951753727720554,0.20138878295360668,0.09764304628053658,0.18308071177600607,0.0,1.7510632099953412,1.1232170279767497,1.5190019488090412,0.21042719409894375,1.712393997125588,0.830251634969982,1.5567218155687161,0.0,1.7777168300965687,1.1316300306820966,1.540693327383974,0.2006496277596924,1.6919072435609734,0.8203186635447142,1.5380974941463397,0.0,1.3558809293320429,1.3002054645672416,1.160939012584705,1.7050907024706434,0.6625847047434658,0.18121974830590523,1.0193610842207166,0.0,45.03137143924674,22.640685719623367,35.16148300901951,45.22581588369117,5.025090653743464,22.640685720146834,0.2499999999999929,6.661338147750939E-16,7.401486830834377E-17,-31.450536990404142,2000018.8142080156,222224.3126897795,13.057800431025584,45.044704003173365,22.646984791136035,35.17313844255483,45.23857723136125,5.026508581262361,22.646984791656088,0.2492655790987044,1.6653345369377348E-16,1.850371707708594E-17,-32.69820191541205,2000018.8117364692,222224.31241516324,13.057800429913398,56.869117296713966,28.23506140932797,45.625042718496154,56.558788258224396,6.284309806469377,28.23506140932966,-0.3989944780580288,2.220446049250313E-16,2.4671622769447922E-17,-32.43928805020544,2000017.6738999009,222224.18598887787,13.05779991789161,45.05869679188971,22.65359579605432,35.18537149694362,45.25197052539332,5.027996725043702,22.653595796570816,0.24849480021892845,2.220446049250313E-16,2.4671622769447922E-17,-32.43928805020544,2000018.8091477237,222224.31212752487,13.057800428748473,69.41638180213432,34.16704376889759,56.84500254525366,68.574597374315,7.619399708257222,34.1670437688976,-1.08229426433914,4.440892098500626E-16,4.9343245538895844E-17,-31.815455587701493,2000017.3055263574,222224.14505848417,13.057799752124968,46.427705059732446,23.30041962280537,36.384324720647,46.562364982082244,5.173596109120249,23.300419623069605,0.17313418587829332,7.216449660063518E-16,8.018277400070575E-17,-31.378498553497963,2000018.5793784903,222224.28659761004,13.057800325353284,50.71012247156905,25.482541394514683,39.37507239609127,50.90842494070485,5.656491660078317,25.482541394544043,0.25496031746031633,1.7208456881689926E-15,1.9120507646322142E-16,-30.59636449117671,2000020.318694452,222224.47985493913,13.057801108037856,0,11.89,15.994916640152283,-0.3801218085851038,0.06987779797286771,5.551589245062736,7.2557983041258165,8.0,26.0,26.0,26.0,8.0,0.0,0.0,0.0,0.0,0.0,21.593725999999997,3.5093612944970856,3.324378526084154,2.720571504624601,2.3335527931030478,2.333552793103047,2.1296515870356036,1.1903936070668417,1.0060898823357574,1.8607735393787153,1.7913747828590088,1.2562029299089896,1.249629722584356,1.2496297225843553,1.0318065900563733,0.39895020242379436,0.3851694109840646,3.4824841819314414,3.355738049381547,2.640360543748529,2.4054545878412883,2.4054545878412856,2.1978846583105196,1.2149190416844664,1.1260730037871975,1.8273160433520053,1.7233414231280653,1.2275532000069913,1.134540685948351,1.1345406859483507,0.9157810427802993,0.25183988717670536,0.22783153989209,3.642391389591278,3.4943007648444455,2.9366949351080653,2.7042369872335197,2.7042369872335192,2.48733773819071,1.670958024421124,1.6023379263084392,1.6227034162849885,1.522024178736788,0.8745943894757393,0.7603185604308977,0.7603185604308976,0.5425440237720968,0.27550609976716967,0.3123470535731609,3.4895444983373842,3.3788884190272475,2.6383717885829014,2.4575399160416933,2.4575399160416933,2.2476934681476197,1.278081892833334,1.2117477430339503,1.8076234388226597,1.6798809077222754,1.2051259223588373,1.0582626705327118,1.0582626705327112,0.8391462889399193,0.15514905359930384,0.12147069701967625,3.6875785466484055,3.561931570179888,3.0049093164617675,2.838982085149649,2.8389820851496483,2.6203526349885222,1.849507235028007,1.8052667068598847,1.5747835544606497,1.4591269771621511,0.8002027921437198,0.6313372621875611,0.6313372621875608,0.4159445138871341,0.4567963821470657,0.5104550479072604,3.6377912672145984,3.4019560178075716,3.0238155560460274,2.6346543980517905,2.6346543980517882,2.293604007694654,1.5334417174099753,1.2930383035872919,1.7272424427047581,1.6442788902794891,0.9643630428605647,0.8785568370761807,0.878556837076179,0.7544252329680456,0.02421083162180872,0.004528352183456251,0,0,0,0,0,6,0,2,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8164965809277261,0.0,0.0,0.0,0.8164965809277261,0.0,0.0,0.0,0.5773502691896258,0.4082482904638631,0.23570226039551587,0.3333333333333333,0.23570226039551587,0.13608276348795434,7.276020881938894,4.125897657686229,3.718597360017603,1.5629488288431148,0.9343477111254841,0.47140452079103173,0.47140452079103173,0.0,0.8084467646598772,0.5157372072107786,0.41317748444640034,0.2604914714738525,0.18686954222509683,0.11785113019775793,0.11785113019775793,0.0,6.9771623912162095,3.7032479268758554,3.325151178799969,0.9023689270621824,0.5394459025350089,0.2721655269759087,0.2721655269759087,0.0,0.7752402656906899,0.4629059908594819,0.3694612420888854,0.1503948211770304,0.10788918050700178,0.06804138174397717,0.06804138174397717,0.0,13.591249338489726,26.321194464675887,24.878431372549027,25.239999999999995,15.667229940119753,208.66612215568864,0.5033796051292492,0.974859054247255,0.9214233841684825,0.9348148148148147,0.5802677755599909,7.7283748946551345,2.315000000000001,40.495000000000005,24.789572669658693,39.15799292805505,49.579145339317385,5.508793926590821,24.78957266971565,1.1102230246251565E-16,1.2335811384723961E-17,-33.06312051270939,2000018.1858486992,222224.24287207768,13.057800148266507,76,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.356481481481482,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.5722222222222224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.667962962962964,0.0,1.8019444444444446,0.0,0.0,0.0,1.3402777777777777,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.356481481481482,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.356481481481482,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.166990740740741,0.0,0.9009722222222222,0.0,0.0,0.0,0.6701388888888887,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.356481481481482,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.356481481481482,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.166990740740741,0.0,0.9009722222222223,0.0,0.0,0.0,0.6701388888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.356481481481482,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.166666666666664,1.9074074074074072,0.45,5.356481481481482,0.02777777777777768,0.6701388888888887,5.182715277777778,0.6631944444444445,1.8564814814814816,5.048888888888889,0.6631944444444445,1.8564814814814816,5.048888888888889,4.33333,0.48148,0.0,0.01852,0.46173,0.78519,0.42414,0.46173,0.78519,0.03759,0.0,-0.03759,0.0,0.61321,0.10108,0.0,0.46154,0.23077,0.0,4.5,0.5,4.5,0.5,0.0,0.0,-4.5,-0.5,0.0,0.0,9.08934,1.00993,10.3323,1.24296,0.13811,3.63596,0.404,4.12588,0.48992,0.05444,0.28812,0.03201,0.28812,0.03201,0.0,8.01,1,1,1,1,0,0,1.0,1.086048612313038,1.5304930567574824,2.3467560203614735,2.346756020361473,2.346756020361473,2.1706490758369004,29.323312532452025,41.32331253245202,63.36241254975978,63.362412549759775,63.362412549759775,58.60752504759631,0.22840679444442943,0.3218778690476083,0.4935460658729995,0.4935460658729994,0.4935460658729994,0.4565090288359624,3.668838889850431,3.224394445405987,2.4081314818019957,2.408131481801996,2.408131481801996,2.5842384263265687,0.2310525562367053,0.3256063578159778,0.49926308198449937,0.49926308198449926,0.49926308198449926,0.4617970245335554,9.449442116690685,14.782775450024019,15.605425697438626,15.605425697438626,15.605425697438625,12.788610155779004,33.38680559561979,24.89891668750007,26.307772243696654,26.30777224369665,26.30777224369665,24.898916687500066,9.0,4.839506172839506,8.0,9,0,3,2.23,1.2945000000000004,1.4422495703074083,2.8284271247461903,3.577708763999664,0.0,0.4999999999999999,2.3094010767585034,0.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.332,0.33,0.23400000000000004,0.02400000000000002,3.67,9.0,6.0,5.0,4.0,4.0,0.0,0.0,0.0,0.0,45.0,2.1972245773362196,2.302585092994046,1.9459101490553132,1.791759469228055,1.6094379124341003,1.6094379124341003,0.0,0.0,0.0,0.0,3.828641396489095,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.5,8.0,1.0,0,3.0,6.0,1.0,2.5,0.666666666666667,0.375,0.16000000000000003,0.22222222222222227,0.0,0.0,0.0,0.0,0.0,0.3125,0.07407407407407411,0.0625,0.03200000000000001,0.055555555555555566,0.0,0.0,0.0,0.0,0.0,0.5366296296296297,24.789572669658693,39.15799292805505,49.579145339317385,5.508793926590821,24.78957266971565,1.1102230246251565E-16,1.2335811384723961E-17,-33.06312051270939,2000018.1858486992,222224.24287207768,13.057800148266507,9.23,155.71456240829454,4.169925001442312,3.5553480614894135,4.174387269895637,4.90527477843843,5.54907608489522,6.282266746896006,6.932447891572509,7.666221925662725,8.318010277546872,9.05193063522854,73.43496367162535,2.833213344056216,0.0,3.970291913552122,0.0,5.220355825078324,0.0,6.517671272912275,0.0,7.838737559599282,8.153061946801051,130.135765196,4.8198431554074075,16.498299849904463,1.8331444277671625,2.879652811254895,2.879652811254895,0.0,108.0,6.0,2.176,34.0,1.2298461538461536,2.106902521560048,2.884568900677617,3.472374318137313,4.759890468122321,5.343285451850475,6.298920080088958,6.865914714551251,0.0,0.0,80.75641399407688,84.05146798322191,82.23708871665009,63.35597197480999,148.08994452285205,108.17201465766678,55.10179813125786,6.976208768525804,0.0,0.0,269.9070901681903,318.9298272003462,345.5215218066841,295.9097941201726,724.6779267994182,555.5552551822633,563.1213689000267,213.41833827167454,0.0,0.0,9.21672636276923,15.609976830638166,21.132549157249,25.480999150376917,33.96191641483265,37.16851989807256,44.071850684422294,46.12840083678286,0.0,0.0,1.9826624717899988,2.509158149151376,2.9279939969650637,2.5878684480353082,6.146853891896059,5.04532060495356,5.737919617819991,3.052674285682125,0.0,0.0,179.08763998870455,335.36228761607254,464.3655922072849,612.6661015668868,727.6398522807519,891.0412475073041,1025.1663250552003,1269.6288280135595,0.0,0.0,2.8237051282051278,4.101898474771393,5.886142079315472,5.758827665615442,8.275840306957347,8.023986948067723,10.690010767387294,6.865914714551251,0.0,0.0,0.43439250000000007,0.5640879106721537,0.6805848954915685,0.6164677044098669,1.3003026122678845,1.0839033830157123,1.2492234947733605,0.7030696667700481,0.0,0.0,443.2749273303965,296.62265327914366,13.258312511447581,121.10563153985285,-81.03926376061962,-6.547707052390716,322.16929579054363,377.6619170397633,19.806019563838298,0.7854184917668382,0.5255720605842785,0.023491795213476968,0.21458150823316174,-0.1435897507221727,-0.01160158150290933,250.1757512198984,167.40805883125932,7.482733824887205,68.34966401079666,-45.73698497165205,-3.6953985655469457,0.0845579053770447,0.5680253359372465,1.6910170341081212,0.8735426997595896,562.842700178932,1.5378586913174164,0.9972751387921728,0.0027248612078272683,567.8492126795089,23.82958691793689,8.280902590309326,742.2158621516861,27.243638930063767,9.054060882799009,974.693721414463,31.220085224330553,9.914923998016242,1.8012079596100095,1.8012079596100095,845.284037904091,816.1825624673711,128.9127679059103,1.0356555956656857,6.557023416959283,6.331277931004314,4.642684970479662,4.3385285730546075,8.60079372658828,0.9824218238426305,5.020210153560716,6.456675331093653,5.925602139657684,20.44693252931461,3.8827524450249973,8.54862038828606,6.889164141544042,8.933534069496469,9.182688777203,4.730569061032403,7.40012047026718,4.561536588350706,7.136057819726644,1.5895044552435136,2.108239983770136,1.52148776093349,2.397609032554936E-7,1.531073873001296E-35,1.8857749400603956E-85,4.479809108677797E-157,2.052603620164298E-250,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.421311690024555,6.710492904012865,0.5124243099493145,7.143200422369156,0.13879701709005957,1.1704389461414748,1.0150479848349339,0.3268505990057008,1.8324919054517732,0.2901238607682211,2.0958679712370536,0.3779726329038677,0.31605179925492016,0.013003788180777518,0.07351542149279838,0.010715962705135298,1.68865564574708E-9,1.078347847624004E-37,1.3281667093771194E-87,3.155166184528721E-159,1.4456655128537588E-252,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3600448061291694,6.238039763328803,1.1595158730627229,8.84906630324491,0.36389708839409185,2.127322915584168,1.6382052137027576,1.2649006130683438,2.7092420997010014,0.9508219749178508,2.9008024796495615,1.0082814061354528,1.1962670865505758,0.12047042264880249,0.30545953743299575,0.1116685934381833,1.7597093789030945E-8,1.1237215982802788E-36,1.3840521133625086E-86,3.2879264288704275E-158,1.5064949257905328E-251,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.73866894451295,6.709753422389992,6.55059191469856,20.04094699937326,3.5076818442476574,7.920188510508582,6.360509897792069,8.218909926353051,8.512112447069788,4.371810702716402,6.977129805694565,4.226303317945317,6.537451031721024,1.417169090541269,1.9187995189291887,1.3556182028222286,2.1362264825504204E-7,1.3641592560906679E-35,1.6801915209646034E-85,3.991429263398402E-157,1.8288328714299538E-250,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0044556975164376,6.058519269038026,1.4561223723842216,10.169076780380822,0.6785028132089636,2.9480606774338987,2.22822166890164,2.126107684598776,3.4962579336059454,1.4773213854799654,3.5358423808224066,1.5073736925595191,1.952499015381102,0.2578821379547816,0.5191331632984353,0.2425591068452938,3.822323915007532E-8,2.4408734705924022E-36,3.0063461364398196E-86,7.141815558027339E-158,3.2723082866535976E-251,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.062630802461484,6.617113589233611,8.224168477174267,25.16672297500427,5.60758705646498,11.138610334372906,9.214968181934747,12.311947696781859,11.916008719828323,6.157578059627794,9.077840589654725,5.8925875939142145,9.558044443968436,2.3136762041140964,2.8833146794193665,2.2189469075086246,3.4966874429133744E-7,2.2329273510416292E-35,2.750225521983146E-85,6.533380565500388E-157,2.993529473092932E-250,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1218283124328416,6.143800104050365,5.063284064446228,15.23076023020495,1.5404886777751645,4.242604472170452,3.2723616909058983,3.811445915222712,4.672368590601595,2.3329785109787036,3.965625590917316,2.5712083724051027,3.6081710487690537,0.5509592184704307,0.9838728723447295,0.5213426236155209,8.215483657059153E-8,5.246273354245964E-36,6.461667849344367E-86,1.535020848660566E-157,7.033311631258987E-251,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.353170567906144,1.171303526165672,0.8686569707467944,0.7828242273172348,0.12469787955506301,0.6234886833106439,0.4572327111491184,0.5102144584028494,9.393131064818611,16.01763845845205,32.8923336029282,0.6742363409758523,1.5909358528626116,5.88853074435927,0.6084513033827221,0.38343868668163766,0.855838759234329,0.08843228152292519,0.3994164368738205,0.12338149920222302,0.09894265020559019,6.8804207344236294,6.074078470194994,14.328315619258632,0.7837581388514934,0.6217405862816338,6.720341600817022,0.859887329328906,0.5958566796930802,0.8219509825985482,0.10517102808881151,0.5204485676487218,0.2464231419456849,0.23957538435792106,8.176085609839008,10.295466632934676,21.914851040889285,0.7329264738978222,1.0064470939523278,7.229523720828057,1.1437073574892085,0.8461932199702668,0.784162165328578,0.12405409714158042,0.6026802866387613,0.4359415072304256,0.4841442617323249,9.219424298287533,15.353830838370204,31.569969480323927,0.6762432479928671,1.5227660556015117,7.034453797651133,0.969375298730763,0.6895052924322624,0.8091778692767724,0.11150788125417936,0.5703468112320061,0.3131715411385489,0.3210644758323375,8.693334388814158,12.337708273184468,25.732797006893772,0.7137668039151586,1.2045828282028925,7.401902059575037,1.2055477034287534,0.8991514117366791,0.7786065622740411,0.12681164185492033,0.6318332917119749,0.4843587967237516,0.5467364860227967,9.506601174740469,16.66274663478265,34.192786988846144,0.6679098434110616,1.6629285744585234,7.305457918535385,1.1553192014922633,0.8551053246896337,0.7841938712610163,0.12401607774123484,0.6154389484332629,0.4448385068635774,0.49443952519009005,9.315882444717282,15.6749913753255,32.208078891403204,0.6762908068915243,1.5547169804869303 +UMLCN0137,L,tributyrin,CCCC(=O)OC(COC(=O)CCC)COC(=O)CCC,Esters,,C15H26O6,NREL (2004),Other Ignition Delay Method,PubChem,,7,0,-0.9062000000000006,0.821198440000001,71.7759,48.54861799999997,0,0,47,21,26,0,15,0,6,0,0,0.0,0.0,0.0,0.0,0.0,3726.187484999999,3631.165520000004,4702.269583000007,4756.425763000016,4920.445464000011,4896.403247000008,4672.213703000009,4901.272216000014,4156.863356000013,8459.275543230277,10366.403463558505,13324.856216047978,13973.166247281666,13655.53656801859,13552.61149777218,13917.286628254313,14273.844175517685,13515.515694144526,367.89809999999983,358.3090640000003,654.9565240000009,824.9190760000013,753.4499040000007,717.5276120000005,727.6829240000012,813.3149440000017,792.085520000001,57.25265952607404,71.68411205999999,96.8724994024329,102.0571398128658,94.45782767267787,93.53878170248994,101.64400289867783,105.0866620417148,99.83652049007381,7822.482008795475,6756.014113260401,13399.031531153576,17539.81632581215,15411.651484110529,14097.44273214419,15101.885155296672,17379.4618369261,16652.893854837566,249.8611111111111,138.25,262.8888888888888,306.3611111111111,333.4166666666667,368.5555555555557,289.1111111111111,358.6666666666668,342.58333333333337,79.28058478723402,78.93838086956531,55.97939979761912,45.29929298095253,52.90801574193561,56.934921476744286,50.23885702150548,46.67878300952394,41.56863356000012,179.9845860261761,225.35659703388055,158.62924066723784,133.0777737836349,146.8337265378343,157.58850578804862,149.6482433145625,135.94137310016842,135.15515694144526,7.827619148936167,7.789327478260876,7.797101476190487,7.856372152380964,8.10161187096775,8.343344325581402,7.824547569892486,7.745856609523825,7.92085520000001,1.2181416920441286,1.558350262173913,1.1532440405051534,0.9719727601225314,1.0156755663728803,1.0876602523545342,1.0929462677277186,1.0008253527782363,0.9983652049007381,166.43578742118032,146.86987202740002,159.51228013278066,167.04586976963952,165.7166826248444,163.92375269935107,162.38586188491044,165.51868416120095,166.52893854837566,5.316193853427896,3.005434782608696,3.1296296296296284,2.9177248677248673,3.585125448028674,4.285529715762276,3.1087216248506566,3.415873015873017,3.4258333333333337,0.7939539944080353,-0.47716685840504897,0.099719619602005,0.13851425417864138,-0.21332845414937876,0.0948609262267384,-0.09214604052934221,0.06101251371986615,-0.012588949859993547,1780.9576405531916,35.620832820283454,179.8795634155744,239.80097459393397,-110.60907237120671,-693.6917361611553,-5.837010881845785,512.9282356790401,-527.5088676876403,2211.0179688170215,-241.2358990747126,-456.4286361433807,403.84420137789164,131.40388501169951,-491.12670505411194,-178.25193872613215,366.156068428517,-8.00982094596128,5.519035404255309,-0.08463448076052499,2.039909575373474,-0.3343447967406046,-2.1040964382073297,-0.5102557609778144,0.29045232775011304,0.6678474585785416,-2.267459328202805,9.854584183309665,-2.1769308500162445,-3.275815041940763,1.393266039710077,0.242203002174802,0.22363897432684005,-1.152524339826769,0.06444779792077979,1.6980744750227237,56.00988459349262,-13.820010769142915,-19.005380377103265,6.649914760901462,-0.3171707989350978,5.325949273168519,-6.749056330146515,-2.163373831053913,11.241919982784577,107.37825059101637,-1.4606282380161946,27.699864191942073,-22.73805392082889,-39.02564005834712,-26.558548362758394,5.756865851818317,57.71584678839104,-14.151715205472538,0.016892638178894366,-0.010373192574022803,0.0011871383285952976,0.0013191833731299178,-0.002293854345692245,0.001103034025892307,-9.90817640100454E-4,5.810715592368204E-4,-1.2588949859993547E-4,37.89271575645088,0.7743659308757272,2.1414233739949333,2.283818805656514,-1.1893448642065236,-8.066182978618086,-0.06276355786930951,4.8850308159908575,-5.275088676876403,47.04293550674514,-5.24425867553723,-5.433674239802151,3.8461352512180156,1.4129450001258013,-5.710775640164092,-1.9166875131842167,3.487200651700162,-0.08009820945961281,0.11742628519692147,-0.001839880016533152,0.024284637802065166,-0.0031842361594343295,-0.022624692883949783,-0.005933206522997842,0.0031231433091410002,0.0063604519864623,-0.02267459328202805,0.20967200390020566,-0.04732458369600532,-0.03899779811834242,0.01326920037819121,0.002604333356718301,0.002600453189846977,-0.01239273483684698,6.137885516264742E-4,0.016980744750227237,1.1916996722019706,-0.30043501672049816,-0.2262545282988484,0.06333252153239487,-0.0034104386982268583,0.061929642711261855,-0.07257049817361844,-0.02060356029575155,0.11241919982784576,2.284643629596093,-0.03175278778296075,0.3297602879993104,-0.21655289448408466,-0.419630538261797,-0.30882032979951624,0.061901783352885126,0.5496747313180099,-0.14151715205472537,-0.6140658708349683,0.07027548426855589,0.07809220556076926,-0.13579017802904123,0.06529672951087273,-0.058653812957314144,0.03439791660030997,-0.007452329071797772,0.02043574643350546,0.05651279754553818,0.060270655192290225,-0.03138716348152082,-0.21286895957687837,-0.001656348894935687,0.12891741112958435,-0.1392111536893042,-0.11147813415651527,-0.11550457430580745,0.08175797725604404,0.03003522175871039,-0.12139496778098098,-0.04074336544983247,0.07412804099353362,-0.0017026618045153266,-0.015668383049397425,0.20680751129391794,-0.027116894263447325,-0.1926714521029822,-0.050527073329859465,0.026596628718208646,0.05416548752943988,-0.19309640293911387,-0.22570769018132564,-0.18599430249592883,0.0632855132366968,0.012420987581908386,0.012402481692714086,-0.05910533884507232,0.0029273748531473457,0.08098718204796335,-0.2521063181677037,-0.18985868132428463,0.05314469996905496,-0.002861827336014282,0.05196749160535638,-0.06089663349451615,-0.017289222088717363,0.09433517726838211,-0.013898354811938171,0.1443377355345391,-0.09478629037753669,-0.18367439579011471,-0.1351722105797801,0.02709472171107442,0.2405953927331713,-0.061942768763347346,1.6378941262407916,0.9830954420458038,1.1593668365698904,1.6698453666780826,1.4321336437104897,1.1375625330090255,1.0757028899872232,1.2825629415294433,0.9239000005013638,0.9231130659804595,0.9657594375804404,1.123373134104921,1.3562627212130587,1.0017934676169047,0.8614341679359145,1.1820208893492354,1.393781259899893,1.1816304645103417,0.8554585583825509,0.9046759423381834,1.0652855294241061,1.0570722672237067,0.8984825659503833,0.9395643179838623,0.7280975216976722,0.7346910824510672,1.1939299038457458,1.6061873049982085,1.6646189856284668,1.014180090898011,0.9618363306406498,1.432560667015111,1.6717015549918643,1.3024545235713665,0.8626561319718331,0.9310376207886392,0.9675653832817381,1.1038499667224166,0.9664483081622707,0.8555955601926618,1.7155060830503897,1.3140604557370932,0.8805847259164595,0.9712941207439796,0.9694086695177436,1.1144876847832261,0.9878378306307533,0.856140884622136,0.568602628740011,0.520190471996906,1.0386243095023193,1.583886580339304,1.834780346965831,0.8511543024128166,0.579916044707662,1.2580449571784,186.44182856940557,93.97091428470276,128.21631294831442,187.79897142654838,8.942808163168973,93.97091428470276,1.4999999999999432,1.7763568394002505E-15,8.458842092382145E-17,-71.32484487961837,8000052.063781232,380954.86018005863,33.37941307595074,186.52084450518765,94.00821898988985,128.2685857393407,187.874000506009,8.946380976476618,94.00821898988985,1.4955934745920416,3.3306690738754696E-16,1.586032892321652E-17,-74.8401953901189,8000052.0650271475,380954.86023938796,33.379413076277785,256.8221155989089,127.21407436528031,174.89954222232052,254.65614557516523,12.126483122626915,127.21407436528031,-2.393966868348258,1.1102230246251565E-16,5.28677630773884E-18,-77.14728119632191,8000053.766968124,380954.94128419633,33.37941352303434,186.6037742047958,94.0473715030547,128.32344815748388,187.9527459774129,8.950130760829182,94.0473715030547,1.4909688013136275,1.1102230246251565E-16,5.28677630773884E-18,-77.14728119632191,8000052.066337649,380954.8603017928,33.37941307662179,331.6393925761239,162.57281349504453,224.66274367575005,325.76408085542585,15.512575278829797,162.57281349504453,-6.493765586034868,9.992007221626409E-16,4.7580986769649563E-17,-72.53310958391585,8000055.960420642,380955.0457343163,33.37941409881167,194.72164287580262,97.88022399553621,133.6961430388671,195.66151417057054,9.31721496050336,97.88022399553621,1.0388051152698097,2.7755575615628914E-16,1.3216940769347101E-17,-75.22307065938618,8000052.2077575475,380954.8670360737,33.37941311374427,174.53681773118473,88.00916224270914,121.24820194744055,176.6673320805691,8.412730099074722,88.00916224270914,3.6924338624337594,6.661338147750939E-16,3.172065784643304E-17,-73.384586310943,8000050.002870521,380954.7620414534,33.37941253496513,0,11.89000000000001,15.999937284016628,-0.31383562848861496,0.2638482621290612,4.275897460937502,8.586822808169952,20.0,46.0,43.0,43.0,17.0,3.0,3.0,0.0,0.0,3.0,37.04538199999999,3.641466077835331,3.5110326090992476,3.489497702759533,3.2532718181000364,3.002056748535915,2.9610010822314092,2.8331157842362384,2.4487524647562218,1.8159757964910088,1.7922603691327748,1.7898009494613505,1.666783980108611,1.3330181715291092,1.3014616263772145,1.265202354765119,1.0980183096992415,3.5200116516451225,3.426392989683597,3.416228590404982,3.2539219097465333,2.911735863223269,2.8645660118944676,2.760732214698066,2.402287206491719,1.8273469093746217,1.7584766189027532,1.7511358353187585,1.637946503697977,1.3599237078721254,1.3073617508004538,1.221709327999446,1.0288833584153294,3.7131208163690577,3.5998052345930907,3.5840333266492026,3.41589651146652,3.16565210396088,3.1165820695732305,2.989871050708122,2.686226725257625,1.61343210855601,1.5507755078250454,1.544752975854516,1.4134409497112876,1.0590942755045756,1.0123514854812026,0.9344281991206039,0.6716021482505615,3.497784733482112,3.4222903877439643,3.4149826788479025,3.266480367054153,2.889457693334572,2.8436496715105357,2.755828720326217,2.418615746937944,1.8459582355341422,1.7485963703391143,1.7360636749401415,1.606270439972425,1.3720138366266723,1.3179191406090238,1.2019388644645848,0.9809503612657597,3.7211215447938124,3.6274645741207636,3.6163795163912456,3.4767592086875436,3.2011104936978723,3.1490138723311243,3.0388058289670306,2.77662837687616,1.5910560092137271,1.5095281150845115,1.5010673993910713,1.35781729110698,1.0226106384997018,0.9736844352550496,0.8777855469303858,0.577463919847411,5.014757574437717,5.0108862095083175,5.008852197203201,3.606503519664671,3.355380328561728,3.348262460216124,3.333035968930656,3.1229497615506747,1.6263886849349314,1.5892728314026432,1.5874437749967438,1.51244534219229,0.9770992395931526,0.9399741641013627,0.9207193958425319,0.7969272929466874,0,0,3,0,0,5,7,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0701495490163702,0.0,0.0,0.0,0.2946278254943948,0.0,0.0,0.0,1.5938136576188955,2.126883090759787,2.165230265349661,0.39750463416913856,0.48579669896084926,0.42182394504152265,16.08757566981053,10.027605765303289,7.937968752911264,5.2155539775747375,3.8744396402144554,2.249715809467072,1.484132659929284,1.1338101489852828,0.7660750318957396,0.5013802882651645,0.3451290762135332,0.22676321641629293,0.16143498500893563,0.09781373084639444,0.06452750695344713,0.047242089541053446,13.183694261465186,7.536274497243921,4.72789346983849,2.5209119241080895,1.4894670080937313,0.7352894685537046,0.43521459023283476,0.2541974874978386,0.6277949648316755,0.37681372486219605,0.20556058564515173,0.1096048662655691,0.06206112533723881,0.03196910732842194,0.01892237348838412,0.010591561979076609,26.332556075717445,47.5258557902404,45.52549019607839,46.28000000000003,28.26264550898207,361.7798311377246,0.5602671505471797,1.0111884210689446,0.9686274509803912,0.9846808510638304,0.6013328831698314,7.697443215696269,2.384900000000001,76.52200000000003,109.54055719176273,149.05573576912064,219.08111438352546,10.432434018263116,109.54055719176273,4.440892098500626E-16,2.114710523095536E-17,-74.23606303797015,8000052.676944571,380954.88937831286,33.37941323690506,356,0.0,0.0,6.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,8.0,0.0,0.0,0.0,1.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,49.320833403609385,-1.0940449420508938,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.834424935684406,1.8266372984378938,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.595140750336457,0.0,2.7561613020884304,0.0,0.0,0.0,-0.7447571806500382,0.0,0.0,-1.0940449420508938,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,34.149394439134696,15.171438964474678,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.008410100151171,-0.3883509175275044,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3620126772778288,0.6046575806248425,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8599354861575281,0.0,-0.0895906557067272,0.0,0.0,0.0,-0.7447571806500382,0.0,0.0,-0.3883509175275044,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.32916772536226,5.008410100151171,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.491058988410177,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.909375,0.6173221371882087,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8676026320894645,0.0,0.6851273165500258,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.491058988410177,5.154618764172335,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,55.833333333333336,2.658730158730159,0.909375,11.491058988410177,-0.019288548752834478,-0.7447571806500382,3.5833090868048827,2.0780905139833714,4.491058988410178,35.641666807218755,2.0780905139833714,4.491058988410178,35.641666807218755,9.49998,0.45238,0.0,0.04762,0.5766,0.91905,0.42923,0.5766,0.91905,0.14737,0.0,-0.14737,0.0,0.49223,0.22206,0.0,0.26316,0.21053,0.0,16.75,0.79762,12.25,0.58333,4.5,0.21429,-7.75,-0.36905,0.0,0.0,21.48054,1.02288,34.36603,12.8855,0.6136,6.91845,0.32945,10.02758,3.10913,0.14805,0.38642,0.0184,0.38642,0.0184,0.0,20.06,6,6,6,6,0,0,0.8,1.3774704131643796,2.304785496685101,3.5264332658807853,3.585047893586391,3.7022771489976027,3.8781210321144197,64.74110941872584,108.32491834419974,165.7423634963969,168.4972509985604,174.00702600288733,182.27168850937773,0.2479878259123258,0.414933590627323,0.6348684592228111,0.6454209284101394,0.6665258667847961,0.6981832743467811,4.177118438513258,3.2498033549925367,2.0281555857968523,1.9695409580912466,1.8523117026800349,1.6764678195632179,0.2453324305989044,0.41049057933078276,0.6280704370817753,0.6385099129109741,0.659388864569372,0.6907072920569686,12.85023107526315,24.488001177937342,26.59767105661089,27.301046589078155,28.941958087179678,29.76348019773308,77.80957125615917,45.72570140777377,41.39303166615636,39.86702831719209,36.30635383627545,34.103440453249895,21.0,13.648393194706994,12.24952741020794,21,3,4,2.4499999999999997,2.445300000000001,0.26493075832961166,4.500295957800556,2.050648114496888,0.0,5.850841744066159,9.193026498718202,0.0,1.6078935375323395,0.0,0.0,0.4099138248797977,2.345974797336829,0.9085602964160698,0.0,0.0,0.0,0.0,0.0,0.0,0.003,1.1199999999999999,1.1100000000000003,1.3809999999999998,0.14500000000000002,8.801,23.0,23.0,24.0,23.0,23.0,24.0,20.0,16.0,9.0,226.0,3.1780538303479458,3.4011973816621555,3.4011973816621555,3.4657359027997265,3.4011973816621555,3.4011973816621555,3.6109179126442243,3.4011973816621555,3.1354942159291497,2.4849066497880004,5.66988092298052,1.2787610619469028,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,0.7,17.0,0.85,1,6.0,12.0,1.0,4.5,1.7777777777777786,1.0,0.7200000000000004,0.388888888888889,0.4081632653061226,0.3125,0.22222222222222218,0.10000000000000003,0.049586776859504134,0.225,0.0772946859903382,0.043478260869565216,0.030000000000000016,0.01690821256038648,0.017746228926353157,0.013020833333333334,0.01111111111111111,0.006250000000000002,0.005509641873278237,0.449791196886588,109.54055719176273,149.05573576912064,219.08111438352546,10.432434018263116,109.54055719176273,4.440892098500626E-16,2.114710523095536E-17,-74.23606303797015,8000052.676944571,380954.88937831286,33.37941323690506,78.9,312.8282121897675,5.392317422778761,4.465908118654584,5.187385805840755,5.963579343618446,6.70808408385307,7.492760300922379,8.249836485425702,9.037533407550814,9.802395690974855,10.590943569100782,108.4984268059414,3.713572066704308,0.0,4.890349128221754,0.0,6.220590170099739,0.0,7.623153068476902,0.0,9.065430200180375,9.340491056441229,302.17293855200074,6.429211458553207,40.154970012288025,1.9121414291565726,16.476435099145082,16.476435099145082,0.0,1102.0,23.0,2.806,86.0,1.2498478260869565,2.144895329808629,2.8787544718075306,3.6488372092597636,4.73881428210861,5.581642150807461,6.492328999727695,7.247273989892097,7.90961371622589,8.522156715728562,109.50310704980437,130.67089410538017,142.19756344388432,216.60274732254575,277.54857647363605,292.4947511174213,302.57780256535534,311.02858574339854,310.8162748483744,239.98702783911747,303.9818993967208,360.84399521736924,409.129769449549,586.9924347232778,782.2721841156621,874.6515922304421,901.0260069565438,999.3091488606867,1116.1877661153765,1076.31888055005,9.800454778000006,16.853437607316785,22.70861576905922,29.65667496955965,39.330452020978875,43.53843603421643,50.07149386293175,57.28884276070071,61.378262671073735,64.62925969811766,2.0585260022343466,2.5760292464840098,2.9340745840917077,4.001409092531037,5.396187341793453,6.389711449639072,6.649073194853593,7.351733825809972,8.494617712192525,8.845670039092697,181.87215548006844,339.2152668936986,477.73452350753513,595.6106885187689,770.1448439219312,896.4454831943029,1069.2948534252416,1203.5549305197794,1291.4751604279836,1387.499124786115,3.8388134057971017,7.015988341390715,8.528801400452124,13.105824062514166,19.29374486693137,17.089284293440603,20.23272565615744,24.254212023641355,25.073950623240822,25.00442516121221,0.47891690217391275,0.6333969476555608,0.7457752192030452,1.0434921443284084,1.3917666179866195,1.5585301544386438,1.6535130616795717,1.8483860904588376,2.051943537985105,2.0715215649489664,527.7195634121043,1090.0747679577835,19.11827845930388,255.63416765986594,-528.0462869183028,-35.379962462787304,272.08539575223836,1618.1210548760864,54.498240922091185,0.6736670069726397,1.3915485746982845,0.024405677411074203,0.3263329930273603,-0.6740840899496383,-0.04516473345237285,413.39108895854315,853.9141366271419,14.976374762768575,200.2519790258336,-413.6470290361526,-27.715025600410687,0.12676821347068606,0.1514478512286386,0.1156139914854423,1.0610134628917405,680.8744960192499,102.4792350527203,0.8691788511526154,0.13082114884738458,1695.8722027416438,41.18096893883926,11.925164371486876,1947.7351408681236,44.13315240120655,12.488491040612423,3787.157162922411,61.53988270156526,15.587307727616471,2.8206170633139425,2.8206170633139425,5092.055949234382,4359.065174191686,1018.6868678286378,1.1681532038984979,4.998646895378415,4.279102157744673,7.668551182816647,7.781409041448465,15.559824954319113,0.9996153487675723,7.291092562052401,12.878877844040186,9.29401609279599,36.79198730254352,10.918345197358573,8.940899217120105,21.104478158709945,22.180063647919315,20.625059060112665,21.001303533880833,25.74003620982902,18.585604355882253,23.841110102334692,10.82651585502067,17.42522108274871,15.03482907572227,10.337225146413543,19.403813468738303,5.713560935081068,4.629589408543354,6.300332845724718,6.081910828430998,6.358982069558171,5.60672326564582,5.094929237828999,1.045235371324484,1.7641621855829195,3.088638137926893,0.8973768988376486,2.9863056899968545,0.6614134368367369,12.489534011521203,3.5376894825768828,16.89921153209023,1.9874418360089106,7.267714511921031,8.725830794362908,6.7314674549913365,4.094444692518977,3.9050599125022303,11.825004784441015,3.0113942361826584,10.149332148650313,1.6431448823019261,2.30583000309101,4.671026670819622,1.623358361810893,7.336131524519089,1.3793075374062342,1.201114486778522,0.34978961431444655,0.4226411884546733,0.40136228096336146,0.15005331728624732,1.0154144163692562,0.011984390362077102,0.0770026117466631,0.023219601228022448,0.07531062402134857,0.021032795150784336,1.9928708887942375,11.723915800963447,2.719042076954544,15.056471565471872,1.6080129337498725,6.113194658432345,7.194052924172044,6.4879494827623825,5.910672128087127,5.406204962427585,12.835319278349335,4.642806171365334,9.044590191087412,2.1109995954519376,3.7305067422968774,4.843665544738079,2.9301580473844306,6.582514146343155,1.9776593350483467,1.7466353554238325,0.8536499272093929,1.0716050238997166,1.1648714484075189,0.6955638813524027,1.3060180417062148,0.08859089881789094,0.2913137716731229,0.22805698881834602,0.24311187522725433,0.21917794184147224,6.897541930173382,13.573443216248831,11.034560855432337,39.21797603085505,11.247183527742257,10.06442484857545,23.910201278838695,24.253239843687545,20.502691070075887,21.351795760317472,26.568203584369265,18.03827289858494,25.93346179533336,10.240269154780812,17.50595182012585,16.37976971772254,9.91703743283534,21.472018867017,5.766337908636113,4.366685955401338,5.757511309701893,6.36241338590665,5.834157273061434,5.071619844704492,4.653402882125755,0.9344688720452788,1.6148595854226846,2.7520820492442475,0.8470505900891805,2.6607446057059,2.9143797900912007,11.401688590622923,2.6626161765721315,15.14094803683015,2.0716102086424657,5.690014919968027,6.896025656546023,7.215949761489183,7.287231569012313,6.647743341466497,13.814152777700647,5.995881165121327,9.24803805934275,2.838962715675172,4.875889553439096,5.10208451766621,3.936070595895108,6.631043678531935,2.3670951475994553,2.1665390620411644,1.4139865996459968,1.4630394380599734,1.8233733763860724,1.2387834100055544,1.6664726904086027,0.18105592249805552,0.4770533507049756,0.4936393849333216,0.35830217403745024,0.47608377768890914,8.805119275922086,13.60198212629315,12.615087565765926,47.56307916210428,15.720032751614152,10.443629808795762,27.979938403138345,29.653812118319276,27.244350269369747,28.04071625237811,31.301149161274083,24.931389693156582,30.908074473050814,14.880311728249959,23.707284460069044,20.175347402540577,12.989235339189383,25.543143800898978,7.294101087519234,5.671193787594826,8.77266388229334,8.438616313246253,8.483957658250855,7.816247552971285,6.947455955608331,1.5092997318347285,2.369210110761251,4.503811079770766,1.0837125685461095,4.355246191154604,4.76834853962379,15.158862251843718,19.15943732305579,49.83780945097196,24.84203926585593,15.553688349102874,30.450107900047605,36.04696152755605,16.894556978002882,18.83866649094966,27.501957684237055,13.629121836734585,41.55638848421435,8.13723495824793,15.602116407392593,22.197321930919337,7.986847389749966,33.75291906130261,5.489825740160643,3.037282265532135,3.486085281517273,8.010656605438035,3.0364016773073335,2.403778984704995,2.712866609281779,0.40880491497664323,0.9799766723686727,1.1753548000877143,0.681999703651277,1.1347849544461683,18.67875957694868,4.2748871465043425,0.7691025507399001,0.7873775236190096,0.18020201187873405,0.4648455935653025,0.3217178232328084,0.4514595972161218,23.72274927419292,97.50329747193305,182.63856949702384,0.6810662854285143,1.2380230140142325,13.958902203768153,2.965808744909616,0.4850042176320444,0.8017880861589591,0.17035366268650176,0.2595585276955716,0.15729869758038106,0.16317608464842015,17.409715166309816,49.607990417585654,87.09660579073362,0.7026821292384389,0.5800333099243729,16.63131805368085,3.6275948851421584,0.5403931483117165,0.7996092746559484,0.17440941875392582,0.3684793993005841,0.2319394397363546,0.22047431568499354,20.799306087134724,71.27946204908864,124.68159696059152,0.6994139119839227,0.8208931547219322,18.042598128252493,4.120035857342478,0.7670885912953818,0.7868650860362639,0.1796810163545041,0.43371900283321374,0.299154620769825,0.446246687550891,22.929722576890356,91.33685493142573,171.2889910514806,0.6802976290543961,1.1791203111539297,17.852454355812895,3.9506408254248258,0.5832075648397343,0.797472211392344,0.17647580622115278,0.4245907479083099,0.2745783401246991,0.25983594736530924,22.386302746077458,83.24436505872629,146.7635012816855,0.6962083170885162,0.9590050353983183,18.788220288460522,4.324400373910032,0.8035455969597143,0.7855866230705262,0.1808149486426563,0.4703169510745644,0.3292734304173851,0.49253920112089183,23.916166259330268,99.8198314079707,189.02229904572442,0.6783799346057893,1.2921295826128414,18.22268331249564,4.1647595037152145,0.780345149283938,0.7865525763459075,0.17976509064732663,0.44243035716204,0.305809005845933,0.46103679862936847,23.167787965494792,93.36302591541055,175.7536212647347,0.6798288645188613,1.2092761616373415 +UMLCN0138,L,2-butyl oleate,O(C(=O)CCCCCCCC=CCCCCCCCC)C(C)CC,Esters,Olefins,C22H42O2,NREL (2014),Other Ignition Delay Method,UML,"O(C(=O)CCCCCCC\C=C/CCCCCCCC)C(C)CC +with Z stereochemistry specified",72,0,-2.4298,5.903928040000001,86.09630000000001,68.32930599999995,0,0,66,24,42,0,22,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3728.4213519999976,3970.272083000006,4714.186384000012,4561.33073500003,4393.827174000027,4035.1726640000056,3639.228202000005,3400.1868810000037,3203.4301520000026,11055.670658513069,14197.464428775853,18907.399643261593,20088.550456900593,19365.433713509297,18314.823602336197,17101.82547122635,16035.488700980448,15028.690356025316,474.7702719999995,479.8525160000005,901.2937600000006,1230.0549400000023,1166.014008000002,1123.120952000002,1052.2135600000022,1001.2259400000025,938.3410400000026,81.31595000365779,106.56488101999989,153.71096495237617,171.11683260343054,164.68087428348744,156.85754352978935,148.09884022324215,140.14068483493992,131.11915597554366,10926.919790603459,9427.0641109868,19315.316368918073,28198.816003522737,26592.413806566863,25668.257451570826,24156.753162174995,23231.751089193458,21752.79593415488,161.55555555555554,140.66666666666669,245.3888888888889,300.1666666666667,300.1666666666667,295.75,260.0,232.75000000000003,220.83333333333337,56.49123260606057,61.08110896923086,38.01763212903236,26.67444874269023,27.12238996296313,25.866491435897473,24.756654435374184,24.114800574468113,24.268410242424263,167.51016149262225,218.42252967347466,152.47902938114188,117.47690325672862,119.53971428092159,117.402715399591,116.33894878385273,113.72687021971949,113.8537148183736,7.193488969696962,7.382346400000007,7.268498064516134,7.1933037426900714,7.197617333333345,7.199493282051295,7.157915374149675,7.10089319148938,7.108644242424262,1.2320598485402696,1.6394597079999982,1.2396045560675497,1.000683231599009,1.0165486066881941,1.0054970739089062,1.0074751035594705,0.9939055662052476,0.9933269392086641,165.55939076671908,145.03175555364305,155.7686803945006,164.905356745747,164.150702509672,164.54011186904376,164.33165416445576,164.76419212193943,164.79390859208243,2.4478114478114477,2.1641025641025644,1.9789426523297493,1.7553606237816766,1.852880658436214,1.8958333333333333,1.7687074829931972,1.6507092198581563,1.6729797979797982,0.3395633402003968,-0.17293812551253865,0.049329365236483,-0.045601159122738336,0.0014645346903985534,0.007394115347969046,-0.011611915601250009,0.004002069308968518,-0.02029206775298879,1991.5469917575765,-19.907325367304153,-447.35094936271275,27.83726908264636,-93.64280746556256,-209.4749007603282,-236.25586594490187,-1.7660058760326152,-3.62327927272694,3280.9551750105593,-151.68024655577804,-1239.7072344684013,172.13014531426109,-97.12671160337123,-151.3001560312327,-223.59958362471383,3.939085527534907,3.249438749481932,2.3171044848484943,0.05903212855829186,0.9718851496785879,-0.2831347107438119,-0.2552079779614431,-0.4071526611570353,-0.32680374655647604,-0.0491211570247842,-0.058442181818174475,14.615489296360504,-1.018802137262054,-6.160764171573964,0.96921069310321,-0.3435132174277786,-0.13555914309301098,-0.47363340529300535,0.007263789726036168,0.007112707636373311,80.24325696016052,-6.1081635735044415,-34.044709320208405,5.477935299963888,-1.820997624026309,0.044370034749421805,-1.7765132120854519,-0.0027985443254419096,-0.0028017214696642867,44.22222222222236,-0.22222222222221721,12.50000000000002,-2.722222222222223,-1.8333333333333375,-7.583333333333332,-7.999999999999998,-1.91666666666667,-1.8333333333333393,0.005144899093945406,-0.0026605865463467486,3.978174615845403E-4,-2.6667344516221247E-4,9.040337595052799E-6,4.739817530749388E-5,-7.899262313775516E-5,2.8383470276372466E-5,-1.5372778600749082E-4,30.174954420569343,-0.3062665441123716,-3.60766894647349,0.16279104726693777,-0.5780420213923615,-1.3427878253867194,-1.6071827615299448,-0.01252486436902564,-0.027449085399446516,49.71144204561453,-2.3335422547042777,-9.997638987648397,1.0066090369255034,-0.5995476024899459,-0.9698727950720044,-1.5210856028892097,0.02793677679102771,0.024616960223347972,0.03510764370982567,9.081865932044901E-4,0.007837783465149902,-0.0016557585423614732,-0.0015753578886508835,-0.0026099529561348415,-0.002223154738479429,-3.4837700017577446E-4,-4.4274380165283694E-4,0.22144680752061371,-0.01567387903480083,-0.049683582028822296,0.005667898790077251,-0.002120451959430732,-8.689688659808396E-4,-0.003221995954374186,5.151623919174588E-5,5.388414876040387E-5,1.2158069236387958,-0.09397174728468372,-0.27455410742103553,0.032034709356513966,-0.011240726074236476,2.844232996757808E-4,-0.012085123891737768,-1.984783209533269E-5,-2.1225162648971868E-5,0.6700336700336722,-0.0034188034188033416,0.10080645161290339,-0.01591942820012996,-0.011316872427983564,-0.048611111111111105,-0.054421768707482984,-0.013593380614657235,-0.013888888888888933,-0.5171309481030962,0.07732269463801493,-0.05183258996780671,0.0017571457534884607,0.00921265401750498,-0.015353580642760295,0.005516817678654681,-0.02987965034890577,-0.010149693677866802,-0.11955838925855188,0.005394906152897719,-0.019156351102831426,-0.044500078000826476,-0.05326214380076669,-4.1507483969844286E-4,-9.096645190202943E-4,-0.046941753420933784,-0.2011134373948497,0.020249041176513303,-0.012060555433894058,-0.019510051512528295,-0.030598299713242728,5.619788049075967E-4,4.951970655117948E-4,0.025868628516083337,0.2232500571650817,-0.047162337525319925,-0.0448722193284075,-0.07434144477786149,-0.0633239518110191,-0.009923109709532378,-0.012611037223467236,-0.07077943100779091,-0.22435898979576585,0.025594854373999706,-0.009575446054842522,-0.003924052352391444,-0.014549751204131772,2.3263482444627433E-4,2.433277289643834E-4,-0.07729166980184247,-0.22582048356767118,0.026348516967346337,-0.009245486150542753,2.339378844993978E-4,-0.009940002525703776,-1.6324822395261572E-5,-1.7457675422218317E-5,-0.005102435253188891,0.1504498297941317,-0.023759146610244135,-0.0168900055834729,-0.07255025125628116,-0.08122243872423314,-0.02028760825403611,-0.0207286432160804,1.6126930902169552,0.9674848378672297,1.2319732438779187,1.257482742743622,1.107224843642451,0.9257020975266547,0.790234528471212,0.8630238626665487,1.2885673376630928,1.2329111592974726,0.9962915690041968,1.029003051571851,1.0524314135190318,1.0383244058754861,0.9484319467087592,0.9532288874500544,1.4566942975840433,1.3664845229006608,0.9513255798544994,0.9990745348187672,0.9977265139413903,1.0149036256170207,0.9772404200141915,0.9762936668313434,0.7486636927006869,0.7018040129134635,1.2373221898576152,1.2084124206808298,1.2757700480620704,1.0554574116241147,0.754353320026136,0.7957063915507487,1.5233869718869655,1.4079729283046416,0.9443633121695858,0.9965770101878102,0.9813903848800584,0.9990770476371373,0.9772380054044364,0.97605108873571,1.5346291852574931,1.411864208839153,0.9461240018664212,0.9986854852846374,0.9800840459887367,0.9946456269168669,0.9741534603791369,0.97347602863089,0.6400753768844201,0.5202423407359361,0.9153130418172707,1.1829110831937428,1.6571136934673312,1.2757024920520932,0.7618544851919146,0.8045197578803082,354.37706355422904,177.4385317771143,283.1708662125852,354.83539688756196,14.784808203648417,177.4385317771143,0.49999999999951683,0.14440320974368248,0.00601680040598677,-4.644349979108658,274.0411443036432,11.4183810126518,13.471867816336946,354.4029222026752,177.45072668043622,283.18660630214146,354.8599090976894,14.785829545737059,177.45072668043622,0.49853115819720983,0.1442696348916888,0.006011234787153701,-4.646571037816619,273.8291372495204,11.409547385396683,13.470010380471473,377.50263197107995,188.35232150748186,297.5623784665514,376.7711420946401,15.698797587276673,188.35232150748186,-0.7979889561162281,0.025436740292066606,0.0010598641788361087,-8.811745636544293,223.8177964039395,9.325741516830812,12.985997548674062,354.43006182222916,177.4635257113335,283.2031269439154,354.8856356226305,14.786901484276271,177.4635257113335,0.49698960043781426,0.14412944423166846,0.006005393509652852,-4.648904315797758,273.60779732080545,11.400324888366894,13.468069642372463,402.3564489017896,200.09593018655556,313.7605406990509,400.372242750501,16.682176781270876,200.09593018655556,-2.164588528678479,0.10052312962522458,0.004188463734384358,-5.513681837850727,330.12419959508486,13.755174983128535,13.91872547055194,357.0875823417299,178.7169253567431,284.8249555612542,357.40499501583986,14.89187479232666,178.7169253567431,0.34626837175630953,0.13040763778811942,0.005433651574504976,-4.889016142104183,256.48880371099574,10.687033487958155,13.31300403218063,374.41526739327014,187.32496805281284,300.1135735230914,375.18489381932693,15.63270390913862,187.32496805281284,0.9595779220778127,0.17673271633380994,0.007363863180575414,-4.159480235841936,222.0004908996893,9.250020454153722,12.966431023511273,0,11.890000000000002,15.995925717758167,-0.31266065088433226,0.26178682642483764,4.4297332988405484,7.806056157182992,23.0,65.0,63.0,63.0,21.0,2.0,2.0,0.0,0.0,2.0,48.788693999999985,3.604823376075388,3.5639307854180884,3.463336123861267,3.373179641931968,3.250382801671306,3.126995911293472,2.930482882266269,2.741626360316319,1.9468767321449945,1.9055565881406502,1.8268264502426166,1.7971738883988064,1.7079088596543694,1.5725296651315994,1.445175442354025,1.4172396796339988,3.604588340739721,3.534232917975591,3.4684607954649307,3.390118975813156,3.266681721406429,3.1313595411771997,2.9275296229678553,2.766593847425844,1.8936358583007198,1.8535097152726634,1.7940735039843068,1.7382634756709752,1.644354683672487,1.5135588891964207,1.3813835438224678,1.3257896127393645,3.717922536115017,3.6783580147332255,3.6105837609613007,3.5279399350728244,3.4165950166046914,3.291172367733811,3.1211190232465635,2.9887006482833045,1.7323097576078168,1.6709140879847029,1.6003917135729153,1.5431349950351614,1.434769046713067,1.2950640275176564,1.118717362023888,1.0214822387060365,3.6214041566749198,3.5454034285437572,3.4768170306153587,3.406083285628379,3.287072079727758,3.147082175176772,2.942674048175846,2.7950070144243058,1.8626647589215806,1.827946604442839,1.7724249181792175,1.699949873068146,1.6044313897008176,1.4792229356398308,1.3432165870787047,1.2654657819454536,3.7663659893991266,3.7197346557917865,3.659964538781879,3.5883432725741367,3.4816639086490233,3.351366559708095,3.1907257764751487,3.0887683069909944,1.684019875183081,1.6205641798648511,1.5553531914521739,1.4870274571349362,1.372247560848546,1.2356378172730114,1.0502778133449526,0.9254364444124308,5.030857978032032,3.693216242973132,3.5781269777396774,3.5237123176818788,3.4515919368131294,3.287371363561731,3.131009702564191,3.0280431485043366,1.8204789917306146,1.7877453561397623,1.6500207545444203,1.6114733693315892,1.5438171418754267,1.3548227565586997,1.2090312425977625,1.0703163844283552,0,0,1,2,0,3,16,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5773502691896258,0.0,0.0,0.0,0.22559223176554563,0.0,0.0,0.0,0.8261326131600777,0.9978909578906803,0.9901332600736643,0.32568735753865524,0.2878755851580978,0.2616357304915593,17.88262259973711,11.7019072626078,8.592716584805105,5.802138094834991,3.835524144177419,2.4692740015548242,1.5398009132609811,1.0263036674440786,0.7451092749890463,0.5087785766351217,0.35802985770021273,0.25226687368847783,0.17434200655351903,0.12346370007774121,0.08554449518116562,0.06037080396729874,16.65514910629482,10.547145977740296,7.043013802029209,4.550247798013129,2.7067284046319555,1.7232230818625989,1.0765953352682325,0.6779345288286385,0.6939645460956175,0.4585715642495781,0.2934589084178837,0.19783686078317952,0.12303310930145252,0.08616115409312994,0.059810851959346246,0.03987850169580226,34.80798208833704,64.30589949016762,60.93333333333324,61.760000000000076,39.73012335329347,506.6450934131737,0.5273936680051067,0.9743318104570852,0.9232323232323217,0.9357575757575769,0.601971565958992,7.6764408092905105,7.2917900000000095,105.02700000000009,188.15008837746012,299.4975708888763,376.3001767549203,15.679174031455013,188.15008837746012,0.11770089491754249,0.004904203954897604,-5.13506078728133,555.777089694237,23.157378737259876,15.168881510509028,736,0.0,0.0,2.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,19.0,3.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,15.0,0.0,2.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.785467561213043,4.696542589456584,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5047936694415216,0.0,0.0,5.91805049062959,1.149423368788899,0.0,0.5047936694415216,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.266457175619138,0.0,18.181506927249846,0.0,4.722489408333842,0.0,0.0700257464613887,0.0,0.0,-0.02594681887725736,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.514908346343201,5.2705592148698415,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.2705592148698415,-0.02594681887725736,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25110874313723547,0.0,0.0,0.21259071167196744,0.30796889348025713,0.0,0.25110874313723547,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.956234153185966,0.0,0.5858123344653765,0.0,2.356691982093317,0.0,0.0700257464613887,0.0,0.0,-0.02594681887725736,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.514908346343201,5.2705592148698415,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.514908346343201,2.365797426240525,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25368492630428613,0.0,0.0,0.5597050045913683,0.5194926697530864,0.0,0.25368492630428613,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2685542509554453,0.0,1.4122678635786703,0.0,2.365797426240525,0.0,0.0700257464613887,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.514908346343201,5.2705592148698415,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,46.00000000000001,1.916666666666667,0.5597050045913683,11.514908346343201,-0.03354157265498836,-0.02594681887725736,12.826312316843152,1.692613485543924,4.5149083463432005,14.636359983960114,1.692613485543924,4.5149083463432005,14.636359983960114,11.66666,0.48611,0.0,0.01389,0.46869,0.76389,0.42973,0.46373,0.76389,0.03896,0.00496,-0.034,0.0,0.63636,0.07793,0.0,0.15714,0.08571,0.0,14.75,0.61458,12.25,0.51042,2.5,0.10417,-9.75,-0.40625,0.0,0.0,30.72903,1.28038,36.72198,5.99295,0.24971,10.12669,0.42195,11.70189,1.5752,0.06563,0.21211,0.00884,0.21211,0.00884,0.0,23.02,2,2,2,2,0,0,0.8636363636363636,1.0961391592565068,1.962478228320949,3.2188703013102398,4.156709552328898,4.593657665390964,4.700893597190923,72.34518451092946,129.52356306918264,212.4454398864758,274.3428304537073,303.1814059158036,310.2589774146009,0.1813480619580859,0.32467741010396667,0.5325381233829749,0.6876966442370386,0.7599864559921402,0.7777278424210153,4.948254960101947,4.081915891037505,2.8255238180482136,1.887684567029555,1.4507364539674894,1.3435005221675302,0.18069947949014376,0.3235162172372959,0.5306335268485115,0.6852371308466066,0.7572684016280196,0.7749463368566419,9.203044451924114,17.788178639260373,23.072034152864052,25.832019605650892,27.397400568542693,26.38046190807785,89.61234858606497,61.712109744746556,46.88227002980817,34.55140989487727,28.97309143687816,31.072734479974734,24.0,19.32638888888889,19.21361058601134,24,3,18,3.6599999999999997,3.239799999999999,0.2777566121439121,5.7779708445260605,1.3487008246299763,0.0,28.040225305267555,4.673308489797757,0.0,0.4999999999999999,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.464,0.45,0.6190000000000001,0.201,11.054,24.0,23.0,22.0,20.0,18.0,17.0,16.0,15.0,14.0,216.0,3.258096538021482,3.367295829986474,3.367295829986474,3.4011973816621555,3.332204510175204,3.258096538021482,3.258096538021482,3.258096538021482,3.258096538021482,3.295836866004329,5.662960480135946,1.3287037037037037,0.47619047619047616,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.0,0.782608695652174,21.0,0.9130434782608695,2,11.0,21.0,0.9090909090909091,2.5,0.8888888888888893,0.625,0.3200000000000002,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407406,0.060000000000000026,0.049586776859504134,0.10869565217391304,0.037037037037037056,0.02717391304347826,0.014545454545454554,0.008333333333333335,0.006802721088435373,0.0055147058823529415,0.0046296296296296285,0.004000000000000002,0.0035419126328217238,0.2455909283615382,188.15008837746012,299.4975708888763,376.3001767549203,15.679174031455013,188.15008837746012,0.11770089491754249,0.004904203954897604,-5.13506078728133,555.777089694237,23.157378737259876,15.168881510509028,26.3,401.37565646939146,5.584962500721157,4.553876891600541,5.241747015059643,5.958424693029782,6.658011045870748,7.380879035564116,8.085486772102845,8.812396905266864,9.520101889570842,10.250228315491283,113.46115256355667,3.8501476017100584,0.0,4.962844630259907,0.0,6.208590026096629,0.0,7.516977224604321,0.0,8.863191340690854,9.170871628065816,338.3184805840012,5.126037584606078,46.47634403051707,1.9365143346048779,5.409047774025807,5.409047774025807,0.0,2175.0,23.0,9.754000000000001,94.0,1.235093611465184,2.1417872604906467,2.896587090443577,3.6657440880000367,4.883784411535477,5.939997115557512,7.2142319643765145,8.314794899981994,9.595845201826524,10.731883767065627,87.58256782096898,91.24376548179579,91.50205115395025,122.59754693873873,147.72342764452924,173.13560621883065,198.66528254591202,229.38474115162109,260.8190681347432,289.79173161940537,296.9214259754973,351.03089284382577,374.6260696170305,507.56746635232315,634.5084906237759,768.624563843501,890.074044796345,1027.9197331407693,1167.9411219904393,1306.3785196055335,9.169003544427515,15.652111504920809,20.913547938587694,26.58379170807625,35.241786350731914,42.66571049594241,51.42502991595377,59.34833494502268,68.5179941117961,76.27177153200108,2.1680280352693235,2.7949560947886103,3.0900054592354778,4.161033869017201,5.291174802175584,6.47699614865995,7.5936462353281495,8.76523539906617,9.975773415151167,11.216381176893329,176.8980747738726,329.9370991570463,473.5846889296319,588.4446221147363,792.9138414798808,960.8518636837955,1176.5770309113943,1354.6986770580354,1568.6311094859284,1749.3662595795877,2.760022108098083,4.405730983869213,5.2350501564572465,7.080414788962056,9.322838968815594,10.706139306167596,12.243260830150756,14.320670781279,16.867321862604943,18.105841817718787,0.4612470028494424,0.6113774785262207,0.6854197212096158,0.9183630506863275,1.1672184321584704,1.4186852525346514,1.6599396731535334,1.9192383419628871,2.1904401808383773,2.45135223747732,878.6682859163293,1398.0636587110682,31.981199673968554,132.75485344890473,-211.22844547743367,-19.739216142745846,745.9134324674246,1609.292104188502,51.7204158167144,0.8687444964604811,1.382273752989761,0.03162000000715808,0.13125550353951881,-0.20884280501037375,-0.019516278968201295,888.7054362021629,1414.0339347259937,32.34652537491167,134.27133064126278,-213.64133744802413,-19.964699959704912,0.16447796250446173,0.1964464179124432,4.050153720476126,4.682655883054774,935.0242693315254,76.39887003370859,0.9244639883544128,0.0755360116455871,1586.8019485099476,39.83468273389343,11.663822672738755,2006.4981012523244,44.79395161461338,12.612840905216665,2926.6752951974813,54.09875502446874,14.304022366268663,3.8713095669665205,3.8713095669665205,21687.74078458171,21512.088654368326,283.55708542621505,1.0081652754893102,76.48456659787865,75.86510709839423,9.728516138659492,13.59834750769372,26.71573838657655,0.9646312444553448,16.771845799328474,19.14162494578682,8.135675652995758,81.16406524172714,43.133903387614474,5.501907513669543,24.229031443124825,16.012673993550134,66.88639519664625,1.481280718530236,5.322613658579653,53.196417192664,7.99772296219235,69.40722140800784,1.7093060481651277,8.61313362957215,41.563033962367825,3.3439327113864756,61.91798705499015,2.287392774560977,3.2035281772124797,30.945680681743532,3.1225934851350057,57.55864429300275,3.61711355781733,6.119500705499532,16.746105441963316,3.8444933969244692,43.74271514129199,3.1711314534584827,1.4142882311369844,19.439818311380463,0.673649872396156,21.2438624292747,3.0695724418951964,0.5534308618908503,3.7096704280518766,0.7550524058531142,17.528082144456725,0.07639030778674714,0.6189614577046729,5.409138039428178,0.3035362987864126,15.786764627598949,0.711136130931961,0.7463776172496697,4.010581882862146,0.12169545447486146,12.584944901063956,0.5174491979098149,0.792900632714318,1.928923409370631,0.1361232897102448,8.99205692004579,0.2796144898658255,1.769500250586058,0.4980289077366613,0.15600930742638144,6.6540457213152155,0.16836718421910107,4.546128845970172,18.848718086678566,2.103326452732667,24.13006507933135,5.437240132051313,1.4301362161922193,7.261363201314684,2.253287619731446,23.482665580169844,0.2772828695463839,1.2824493075760455,12.89386406648572,1.2124860119482932,22.948365711426426,0.7793587770818118,1.5580588824134178,8.325241567357738,0.4971845988743837,19.194865845118606,0.8575439684627691,0.9517098820956785,4.916983043650692,0.5223331951497295,15.739284709777927,0.8885947439316682,2.1559540139683717,2.013862798597347,0.6124938862073871,11.815630932780154,0.6079265217929758,15.833341383851437,19.456771775531536,7.82395859173222,75.69755131772483,39.16043395287713,5.580426011845698,23.891345493684415,14.895786089439286,64.313203102255,1.3648944444525297,4.944822640546818,50.0360048017356,7.314910924798097,66.73634185292084,1.6002545051858492,7.871765516218551,38.4396697219518,3.04765664047864,58.964591116445355,2.1715423263065445,3.026616243088394,28.3246737307035,2.8607417993712474,54.01248520762124,3.3872259471285378,5.80677420627643,15.151113957234244,3.513843109337023,40.95416054376006,2.9259722146045477,6.697059700519106,18.62534486406615,3.0674210744892485,28.85220497366618,8.745827255118812,1.9651289260437579,9.660930210906212,3.6632277077653743,28.509590061779445,0.4406875293456599,1.8267643052126028,18.71551684413158,2.0272467371625953,28.723312186237223,0.8664316966842648,2.352068969049367,12.242269497135014,0.8385371612797916,24.617510028198005,1.0972996551593215,1.1525498994555314,7.790679557775026,0.8537831265391479,21.215762962347117,1.3281003798157087,2.574433863554373,3.579807034028937,1.013865679096291,16.015183881462576,0.9611470321842712,20.25443989182707,19.352083403259154,10.032706977433156,109.36904353548901,61.81950945031653,6.95080813958901,29.946143263071523,22.336395622443415,84.60129976431708,1.9467009160204836,6.876850432759438,67.27461216578916,10.879813978671312,87.36621896935593,2.167511975108365,11.728172330713393,55.638186471103005,4.557578530035381,78.41003751324426,2.7248457243831394,4.264895251335251,42.5949841752135,4.181865949604378,73.90600261625833,4.497314801888276,7.80613384978122,23.52042639780283,5.187860896287085,56.227255917058905,4.148483831361151,10.547692824875572,18.83320053597502,5.444798909406238,49.05343786256258,21.990270153330314,5.612126298282359,20.35191023331079,9.355050085569054,49.9430189258712,0.7325683529190355,3.071055400405547,33.44853165697696,3.82060575421216,51.32687680358347,1.1997935336398868,4.356842187063054,23.59432345129011,1.534267533907226,42.42721577762234,1.6735657741708552,2.1196477307034485,15.646078104609401,1.5781535249003176,33.952579963188796,2.341192421958847,4.559760550905372,7.715012890333606,1.992156668243335,25.357570639906612,1.769663535490465,67.67936467227206,1.2262947445405883,0.524704515037653,0.9747804971712818,0.017662225503300887,0.5831342894708689,0.4237058805903688,0.4194450257271799,69.4303639318503,119.14995981910155,232.12809585707052,0.9621707457569226,1.4262851957884175,63.90295526684468,0.6786771741970575,0.16102954352966614,0.9870300866231477,0.010482688746390915,0.5199605836064229,0.1287779937204872,0.0394084597941127,64.7426619845714,53.769027895724754,125.49545698136781,0.9805451299347214,0.6881470371210228,65.06314910135669,0.8869176446782829,0.29777230052840453,0.982117304318802,0.013387872833933473,0.5389641010291395,0.21803220724797356,0.13292118826530647,66.24783904656337,77.34375805129588,160.77474272770314,0.9731759564782029,0.8899174965424195,67.63341771552331,1.20753034853708,0.5128840400421351,0.975193665059534,0.017411155402696925,0.5823449652993103,0.41190328638874524,0.4024932888856412,69.35383210410252,116.97682803020587,228.2175942450656,0.9627904975893009,1.3967415405736967,65.7083728413412,0.9875578460753249,0.36391707869111556,0.9798467343755367,0.014726514881449541,0.5496923469494732,0.27047519571762096,0.1979781892560852,67.05984776610764,89.16260740865904,179.83733251454856,0.969770101563305,1.0181457319231795,68.04416319149286,1.2696130806774388,0.553877306688347,0.9739007925132673,0.018171686261718296,0.589432608118106,0.455470606035013,0.4688794555349248,69.86765357885865,124.78108736969797,242.49806834987703,0.9608511887699009,1.5137826696880436,67.67823956158117,1.2124516778151855,0.515957154390617,0.9750973592270373,0.017468811790711965,0.583104220965653,0.4167423852762569,0.4076935319927218,69.40664839378697,117.6012401238987,229.34557582860123,0.9626460388405561,1.4075401382346315 +UMLCN0139,L,triethylene glycol monomethyl ether,COCCOCCOCCO,Ethers,Alcohols,C7H16O4,NREL (2014),IQT,PubChem,,80.7,0,-0.7507000000000009,0.5635504900000013,41.391799999999996,26.196687999999973,0,0,27,11,16,0,7,0,4,0,0,0.0,0.0,0.0,0.0,0.0,2049.977874999998,1975.6735979999992,1994.2178969999982,1866.472639999998,1535.981050999998,1365.8983099999975,1204.9758209999986,906.467992,716.241379,4327.52133099762,5192.720095961985,6088.461889780032,5792.4054583656025,5349.503799179004,4676.573673497209,3817.644912194928,3278.299984590169,2611.926824164859,213.68590000000012,209.09438400000008,377.88776399999995,385.1170879999998,331.68731599999995,371.2643119999999,263.4552840000001,220.26412000000016,223.5531160000002,29.20892247758398,34.98001263600001,42.90185196364102,44.105528839886034,43.30750497358405,36.620990542678015,29.512824036489988,27.15311887418799,21.003258119885988,4588.048068227985,3935.8088595646514,7733.059177688192,8145.099754531387,7379.745565310036,8350.28034344723,5613.161850815691,4981.613562589839,5084.230816697036,106.25,79.0,128.75,140.5,88.25,109.0,99.75,59.5,68.25,75.92510648148142,75.98744607692305,43.35256297826083,38.884846666666625,34.1329122444444,28.456214791666614,36.514418818181774,30.21559973333333,24.697978586206897,160.27856781472667,199.72000369084557,132.35786716913114,120.67511371595005,118.87786220397787,97.42861819785851,115.68620946045236,109.27666615300564,90.06644221258135,7.914292592592597,8.042091692307695,8.214951391304346,8.023272666666662,7.370829244444443,7.734673166666664,7.983493454545458,7.342137333333339,7.708728137931041,1.0818119436142215,1.3453851013846159,0.9326489557313266,0.9188651841642924,0.962388999412979,0.7629373029724587,0.8943280011057572,0.905103962472933,0.7242502799960685,169.9277062306661,151.37726382940966,168.10998212365635,169.6895782194039,163.99434589577857,173.9641738218173,170.09581366108154,166.0537854196613,175.31830402403574,3.935185185185185,3.0384615384615383,2.7989130434782608,2.9270833333333335,1.961111111111111,2.2708333333333335,3.022727272727273,1.9833333333333334,2.353448275862069,0.7072351763664056,-0.18595975254503702,-0.38211830869248375,0.3165617600172386,-0.03858908053379624,-0.21634989459491066,0.22339994313084038,-0.03740019836250681,-0.12407968409299204,1051.3864527407404,15.548373953360013,-455.8565325582998,-193.73365665020617,94.12801565432109,47.600783497942516,-143.77051727572035,79.0625316213994,10.505706241426793,1167.3873274877333,-236.370670153096,-210.23687941750876,-54.66933517413872,-274.81849645863474,262.25484049900035,-83.9963387749356,-146.59847661370645,157.40708817665646,3.6267851851851822,-0.29882099314128724,-2.3163722414266052,0.869972115226341,0.4479029135802408,-1.0894024032921785,0.6109872921810721,0.2969364609053454,-0.6795680877914952,4.999458207608292,-2.162622457850938,-0.37821107672868737,1.4272154326748066,-2.435726998735597,0.976423362583837,0.6944701756383778,-1.442466857846104,0.6832301769947131,28.443348394852688,-13.858479712058765,-2.1482500858840545,11.164757565451362,-15.16347412393757,4.417897000040126,5.984814820154445,-9.094893585882556,3.3411499598970664,36.16666666666665,-3.34567901234568,-17.682098765432105,4.09259259259259,5.277777777777778,-8.074074074074062,3.351851851851849,3.6481481481481493,-6.308641975308642,0.026193895420977987,-0.0071522981748091165,-0.00830691975418443,0.006595036667025805,-8.575351229732498E-4,-0.0045072894707273055,0.006769695246389103,-0.0012466732787502271,-0.00427860979631007,38.940238990397795,0.598014382821539,-9.909924620832605,-4.0361178468792955,2.091733681207135,0.9916829895404691,-4.356682341688495,2.6354177207133134,0.3622657324629929,43.236567684730865,-9.091179621272923,-4.570366943858886,-1.1389444827945567,-6.107077699080772,5.46364251039584,-2.5453435992404727,-4.886615887123549,5.427830626781257,0.13432537722908083,-0.01149311512081874,-0.050355918291882726,0.018124419067215437,0.009953398079560907,-0.022695883401920386,0.018514766429729455,0.009897882030178181,-0.023433382337637768,0.18516511880030712,-0.08317778684042068,-0.008221979928884508,0.029733654847391804,-0.05412726663856882,0.020342153387163272,0.021044550776920537,-0.04808222859487013,0.023559661275679763,1.053457347957507,-0.5330184504637987,-0.046701088823566404,0.23259911594690338,-0.33696609164305713,0.09203952083416929,0.181358024853165,-0.30316311952941855,0.11521206758265747,1.3395061728395055,-0.1286799620132954,-0.3843934514224371,0.0852623456790123,0.11728395061728394,-0.16820987654320962,0.10157126823793482,0.12160493827160497,-0.2175393784589187,-0.27305210087542126,-0.31713189736306424,0.2517776207407478,-0.03273797612731068,-0.1720740423784978,0.2584455323497793,-0.047594038943585305,-0.16334377638552555,0.015357234529788127,-0.25449059578900574,-0.10364902608519055,0.053716508563877385,0.025466792584015893,-0.11188124301863689,0.0676785194195438,0.009303120418760741,-0.21026598798413648,-0.10570605366237075,-0.026342157663842004,-0.14124797656492763,0.12636624049890396,-0.05887015865367521,-0.11302043961387974,0.12553796282719532,-0.0855617557746976,-0.37488015541549435,0.13492922514787165,0.07409916342603087,-0.16896199266363818,0.1378352088909756,0.0736858681088843,-0.174452384359763,-0.4492087245121176,-0.044403503112006595,0.16057913628677717,-0.2923189150811003,0.10985953250245495,0.11365288944953078,-0.25967217209373444,0.12723595798346815,-0.5059706038381527,-0.044331257372795106,0.22079595001912283,-0.31986685772934514,0.08736900550612693,0.1721550713038269,-0.2877792063600919,0.10936566896233255,-0.09606522509748325,-0.28696653977158915,0.06365207373271889,0.08755760368663598,-0.12557603686635932,0.07582739840804355,0.09078341013824892,-0.16240266963292554,1.2400239657675853,1.642098917683099,0.9103276527398285,0.5641935268471884,1.125833913059413,0.9027427753463043,0.6012078270057744,1.1312331633370847,1.0234339706347118,1.3547958585541025,1.1312821379247526,0.7821689113145691,0.9338490618971698,1.127241990140221,0.7609605433356481,0.9423758775392957,1.5853774906194944,1.0615631175580063,0.9635291374801687,1.2332146527719507,0.7149904268219925,0.9849780323260762,1.1557102659357144,0.6830061230083799,1.000173932224438,1.7277594899569932,1.0354669424610312,0.45786861540472573,1.188659408597759,1.00580650216422,0.4671177494199538,1.1942885064607993,2.0390822724106514,1.0106206312487216,0.7751716854532977,1.4399962219808269,0.6648381355351268,0.8045500528295715,1.3315235636440192,0.5977900680665846,2.1255755215614127,1.037595721773095,0.7288157404871434,1.4483418953994966,0.6802637481879689,0.7572081164311926,1.3368253315300587,0.6060660904994023,1.016129032258065,1.3674614305750359,0.9285714285714292,0.3794162826420893,1.055875576036867,1.0674486803519068,0.4493087557603689,1.3262354997616406,68.41614278179159,34.70807139089581,55.20525111565724,69.23432459997343,6.294029509088494,34.70807139089582,1.0000000000000213,0.00809295462238363,7.357231474894209E-4,-5.298437535055198,77.77305007642113,7.070277279674648,4.789174468240789,68.45977299832474,34.72841765735974,55.23786149830171,69.27555125719316,6.297777387017561,34.72841765735975,0.9970623163947465,0.008064339626097816,7.331217841907105E-4,-5.3023337974292595,77.86196820021503,7.078360745474094,4.790431382628033,107.01785842631978,52.710940257043845,84.1258924724216,105.7120583163117,9.610187119664701,52.710940257043845,-1.5959779122320796,0.008425485008526135,7.65953182593285E-4,-5.254143660285399,79.65205515701086,7.241095923364624,4.8154346222082,68.50556335167265,34.7497712762742,55.27208671585083,69.31881906148007,6.301710823770916,34.74977127627421,0.9939792008757564,0.008034344836070129,7.303949850972844E-4,-5.306432804063919,77.95567846254579,7.086879860231435,4.791754484384472,147.70856808099444,71.68969551181898,114.68163285802154,144.16651412497552,13.106046738634138,71.68969551181898,-4.329177057356489,0.0167097972501844,0.001519072477289491,-4.5009360768794755,66.72180975502513,6.065619068638648,4.620585070539132,72.98348683074833,36.83801178713078,58.6203886088055,73.55010780271371,6.686373436610337,36.83801178713078,0.6925367435132301,0.005273128317998199,4.7937530163619994E-4,-5.769644632198176,89.71704940534518,8.156095400485926,4.9463269046531995,53.52993022279067,27.646023453059016,44.17064483091901,54.870278198635035,4.988207108966822,27.64602345306587,2.319727891156443,0.016555704859885334,0.001505064078171394,-4.51112698523435,55.92682493375613,5.084256812159648,4.426448552514876,0,11.996320019092288,15.999284964244687,-0.41835366929797485,0.09240500665858627,3.7176363227341107,6.156797224798928,10.0,26.0,26.0,26.0,10.0,0.0,0.0,0.0,0.0,0.0,23.239311999999995,3.4514970477657565,3.2950227834961443,3.0480925960827103,2.7025920575977174,2.3369128982485337,1.9698446882578318,1.6351484507409282,1.2552063274144287,1.7115800692313439,1.6186191270682218,1.4839180317415737,1.3349123172232888,0.8826324345536514,0.7834943514105347,0.6975777803833354,0.38892933411970815,3.3394306948017274,3.195720679568079,2.978988983440471,2.6538050074850825,2.170640524225082,1.899726529396948,1.65712412395093,1.1910707625811574,1.7397944842950879,1.6284213940989773,1.45876530868257,1.2575179595202628,0.8786187452383444,0.708883693920784,0.572520854112106,0.3299356909623108,3.573191643634851,3.435223035396335,3.2205566906021654,2.933836558075609,2.567994515035593,2.292254034371175,2.0605436644053907,1.7642399157398108,1.472750754200389,1.3495497912584598,1.1677830377516747,0.9220021760905928,0.43077573391300594,0.2507080501569343,0.09596760650155364,0.2915610224925858,3.319259985572957,3.1828856026012144,2.9818762225217816,2.672098097888068,2.143207753755841,1.9132068868999699,1.7088160469733864,1.2061633643193928,1.7513009254068244,1.6313100973454302,1.4449567932941172,1.2126398508270944,0.8772813257470216,0.6611497930269923,0.49102609519606577,0.26628742067320144,3.5987348442512497,3.4703187580073953,3.273349931115292,3.01926386002436,2.626362194205448,2.4008872342113095,2.2143678579745836,1.9251226131672723,1.4388709900551393,1.3059120849192933,1.10645514989005,0.8283640296436897,0.3558939413452901,0.13299085338220054,0.05979197346823891,0.45336528353448613,4.466600875070392,3.771661771316574,3.5934965598445845,3.3138948145111153,2.7854291779837776,2.4514895193918704,2.0783381157958907,1.7731244833939652,1.4690219312076431,1.3562301470800373,1.2227175882797792,0.9272676123518581,0.4586258861111374,0.36132463856415853,0.28990535587886174,0.3595624261682051,0,0,0,0,0,6,0,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.36396103067893,5.414213562373096,3.474873734152917,2.2071067811865475,1.3838834764831844,0.8535533905932737,0.5151650429449552,0.30177669529663687,0.7603600936980844,0.5414213562373096,0.3860970815725463,0.27588834764831843,0.19769763949759778,0.1422588984322123,0.10303300858899105,0.07544417382415922,6.914599154010833,3.6678517294547657,1.9411509489683128,1.0394281740057516,0.528783896298692,0.27123577822430944,0.13623647701403818,0.06304796629481307,0.6285999230918939,0.3667851729454766,0.21568343877425697,0.12992852175071895,0.07554055661409886,0.04520596303738491,0.027247295402807636,0.01576199157370327,14.193818847954411,27.425345957756733,26.20000000000001,26.679999999999993,15.309394011976043,210.10142994011977,0.5256969943686819,1.01575355399099,0.9703703703703708,0.9881481481481479,0.5670145930361498,7.781534442226659,-0.34169999999999995,40.599799999999995,41.63839022652778,66.32546526588186,83.27678045305557,7.570616404823234,41.63839022652778,5.551115123125783E-17,5.046468293750712E-18,-41.17294252526076,2000029.9561581695,181820.90510528814,15.959539988140248,150,1.0,0.0,4.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.734875969288848,0.0,23.121082542597694,0.0,0.0,3.6355692093161727,0.0,0.0,3.7397688102421864,0.0,0.0,3.5007427173426735,0.0,0.734875969288848,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.6937191358024686,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.630576014343601,0.0,2.7483414430587048,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.32119631495849,0.0,14.799886227639204,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.734875969288848,0.0,4.76371913580247,0.0,0.0,3.6355692093161727,0.0,0.0,3.7397688102421864,0.0,0.0,3.5007427173426735,0.0,0.734875969288848,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6012345679012345,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.630576014343601,0.0,0.06753086419753096,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.32119631495849,0.0,4.76371913580247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.734875969288848,0.0,8.32119631495849,0.0,0.0,3.6355692093161727,0.0,0.0,3.7397688102421864,0.0,0.0,3.5007427173426735,0.0,0.734875969288848,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6288888888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.630576014343601,0.0,0.611111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.32119631495849,0.0,5.088979591836734,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,27.5,2.5,0.734875969288848,8.32119631495849,0.17000000000000004,0.06753086419753096,2.029109413750731,1.432469135802469,2.32119631495849,13.242165085195387,1.432469135802469,2.32119631495849,13.242165085195387,4.83332,0.43939,0.0,0.06061,0.57654,0.97879,0.42571,0.57654,0.92222,0.15083,0.0,-0.15083,0.05657,0.44891,0.26538,0.0,0.17241,0.0,0.0,6.75,0.61364,6.75,0.61364,0.0,0.0,-6.75,-0.61364,0.0,0.0,7.96673,0.72425,12.33112,4.3644,0.39676,3.49724,0.31793,5.41421,1.91697,0.17427,-2.1E-4,-2.0E-5,-2.1E-4,-2.0E-5,0.0,10.04,4,4,4,4,1,1,1.0,1.360388077926312,1.8338496710294616,2.481403132339241,2.8760335779708552,3.337677779700861,3.231946188135182,36.73047810401042,49.51394111779546,66.99788457315951,77.65290660521309,90.11730005192325,87.2625470796499,0.2861031049225322,0.3856767736765721,0.5218636889327466,0.6048583855374629,0.7019467396825311,0.6797103373454471,3.394499424237157,2.9210378311340075,2.273484369824228,1.8788539241926139,1.4172097224626081,1.5229413140282873,0.2894171948798679,0.3901442803216512,0.5279087236801272,0.6118647936002581,0.7100777756641096,0.6875837968225952,13.037859652019272,17.00247745539005,20.772087189592437,22.036106183742874,23.91884553208467,21.975782835404814,41.42412516229245,35.520778404544515,30.37002125718746,27.787570501690393,24.652410662330887,27.90297863106945,11.0,10.0,10.0,11,0,2,1.79,1.3297000000000008,0.0,1.2379898484184377,0.0,0.0,5.26933192589265,0.0,0.0,0.0,0.0,0.0,0.0,0.5503212081491045,0.7937005259840998,0.0,0.0,0.0,0.0,0.0,0.0,0.259,1.018,1.0530000000000002,0.9369999999999999,0.276,5.125,9.0,8.0,7.0,6.0,5.0,4.0,3.0,2.0,1.0,66.0,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,4.204692619390966,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.8,10.0,1.0,0,5.0,10.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.0,0.05,0.02469135802469137,0.015625,0.01142857142857143,0.009259259259259259,0.00816326530612245,0.0078125,0.008230452674897117,0.010000000000000002,0.0,0.14521040669354163,41.63839022652778,66.32546526588186,83.27678045305557,7.570616404823234,41.63839022652778,5.551115123125783E-17,5.046468293750712E-18,-41.17294252526076,2000029.9561581695,181820.90510528814,15.959539988140248,47.92,164.78925788411115,4.459431618637298,3.6635616461296463,4.290459441148391,4.9344739331306915,5.579729825986222,6.2324480165505225,6.884486652042782,7.5406215286571525,8.195609567288775,8.853236764745898,77.17462737568007,3.044522437723423,0.0,4.04305126783455,0.0,5.176149732573829,0.0,6.371611847231857,0.0,7.601402334583733,7.954372272531867,164.104858992,6.077957740444445,20.82876222801817,1.8935238389107427,10.995802891872717,10.995802891872717,0.0,220.0,8.0,-1.0690000000000002,38.0,1.2315384615384617,2.0916854805055474,2.8142425522937273,3.5649915883665786,4.721921604960577,5.837031390255118,6.910735884872042,7.9061266545841935,9.21860662691414,10.086948162711174,106.24460067380765,98.88116586653798,131.6052717093331,153.1821385344947,160.11668340759843,247.0973294002389,239.61498391347905,222.9802840767966,307.6974802160747,207.97286183412336,265.3392579930691,291.5489101722911,371.0134474109675,490.09854169198974,507.0259608496711,736.7624338662591,813.504928352011,768.3329603045563,991.3832059319583,858.274559530612,10.025994679846153,17.27579962419053,22.8180503283107,26.776207913045134,36.93672765423271,47.36074910256169,51.20411148705504,61.63487774786666,73.29813666638614,73.6498735158439,1.7300438676254615,2.0200837900985253,2.7239056843175065,3.7716790985672155,3.8116765800214463,5.51932018934724,6.530875091458521,5.980443678302485,7.8597152210235555,7.6368372853528035,185.19459079825612,349.21048457327566,475.63192329379643,572.4504502087792,815.0582908852779,985.1388663395701,1138.1386216102755,1377.9756628083649,1572.345207539177,1727.0148099831854,3.918413461538461,6.009797967625768,8.857136569837374,7.774860405926733,11.354617794773793,19.128085306855674,14.546728502790936,19.662434746605445,31.974008407127016,22.798413969184008,0.44155785000000003,0.550707046065407,0.6980015216856392,0.9160821117892488,1.0176372199790993,1.4223958446200848,1.5892898524556678,1.6032317255904573,2.035743558170358,1.8882755620505425,512.3188217257375,782.2291374949004,33.38249612986981,113.34588132302437,-173.06108467233486,-43.571206050975874,398.9729404027131,955.2902221672352,76.95370218084568,0.8188392588383068,1.2502369618794629,0.053355249172923384,0.18116074116169317,-0.27660356070757464,-0.06963986595161994,320.5398034613251,489.413161026836,20.886249528121436,70.91651717977025,-108.27821215081302,-27.260965695360238,0.13742914536893566,0.2576402304246327,4.785297131003608,10.000741606060618,477.4987177502872,148.16598529847462,0.7631862808042613,0.23681371919573851,870.0039997475822,29.495830209498802,9.546417338916607,1033.340473038352,32.14561358938964,10.109922193995757,1408.0696773322727,37.52425452067333,11.208342204633855,3.3760705870312484,3.3760705870312484,2320.692477108746,2288.0082517499677,56.03047237090459,1.014285012011552,41.41839929077292,40.83506982779036,5.0560235607385255,6.434830580166163,12.212556398529651,0.8978831293821404,4.8978462862755086,5.524918907912333,14.121076046308291,16.433751496091602,4.822832171675779,5.76454151806403,12.183398251994673,10.879607397429204,3.0092705240436084,0.02902172235646813,12.041387798860058,2.727734957648687,14.46747725788321,0.6012021172828127,2.881401231195112,3.921691754155288,2.3100573943915967,2.8616437710514893,2.3148461844872017,4.210939976660492,1.414106138670275,0.6462220768982662,1.7918426642081529,5.160869904134977E-4,2.3542027655829734E-27,2.0712891256158505E-72,3.5149041744642575E-139,1.1504351929535398E-227,0.0,0.0,0.4309480681116748,6.41417029620556,1.4411599974554883,2.0620456487079606,0.18773031341739077,5.214547319763622,0.8290593954668002,2.1189493790607687,0.1931808146780541,0.00327096957525157,2.775826227362201,0.12125301321379862,6.516131881727701,0.036484214612916455,0.787600435570897,0.22955267265779203,0.12089408124597016,0.451265803886039,0.03976025478847979,2.7575610524279233,0.05558810282556302,0.7063104882773067,0.01490577841628622,5.7692312521906726E-5,2.631715280539816E-28,2.31545188969708E-73,3.9292397242937272E-140,1.286048050248072E-228,0.0,0.0,1.2717017539944917,4.76052295279869,2.672276787013832,3.7236624791510953,0.7489987484652989,3.0584824240457933,2.803746462253562,1.8861803963023311,0.661189867074946,0.006141616790566343,3.173346366314602,0.4617854500517234,5.617345713445893,0.12698106141945356,0.8093675253460563,0.8022142071432555,0.424714453088738,0.6107348124692573,0.23014002784616916,1.7091548181083709,0.22097872021661635,0.3936168247696579,0.13413522442910825,9.993973697286084E-5,4.558890453638902E-28,4.011030978106019E-73,6.806577292611656E-140,2.2278064130076616E-228,0.0,0.0,4.846125649639464,6.410789261165935,17.049027115839667,15.860024445664157,4.40296285016081,7.073266714277649,11.366960478815246,10.545172877057631,2.7999229725277455,0.0348892829885376,12.195186790120891,2.5017633379769997,15.12056756836811,0.557866230237552,3.164993948352166,3.6339128126401885,2.127915640806879,3.6011334811602804,2.0786791321755986,4.735689064337241,1.29143371016353,0.8133254215303497,1.604465490709603,6.482244168392687E-4,2.95696606159326E-27,2.601616028038509E-72,4.414850116391544E-139,1.444989306511039E-227,0.0,0.0,1.8073532540833908,4.132123389724169,2.8594662045210666,5.18017720225397,1.2485538387539885,2.692449760889868,4.2611437599583635,2.3200708199581404,1.0139664400064967,0.006719284662730416,3.815751202090391,0.7520716958306418,6.220861092493904,0.1964602577004193,0.8724053692601028,1.2484895994330962,0.6751253484063088,0.5807563620567783,0.44217769185909767,1.6390602713669984,0.36772139631005407,0.28087834725228905,0.2863651189321318,9.895901624187812E-5,4.514153507068869E-28,3.971670243211623E-73,6.739783521679672E-140,2.2059446776839827E-228,0.0,0.0,6.095488908163575,6.086045220410624,20.395312053452294,21.400152677953308,6.53215308382477,7.522221697474144,15.344065176049746,15.406837152952583,3.8306167208835324,0.04107535417276541,15.781027412607509,3.646651191839258,18.30024786560303,0.7716065625278519,3.843943042145664,5.068915658850185,3.051682034750375,4.151413959145673,3.299525484163728,5.624621822954583,1.9135989277831076,0.8024116084208719,2.6132800058830004,7.537496066779194E-4,3.4383339273485394E-27,3.025136057976508E-72,5.13354858431098E-139,1.6802207579466484E-227,0.0,0.0,4.44630098783842,9.141245200094797,19.796796256431765,11.735815285027542,2.358110870904728,14.216533956807021,7.207716520564133,8.204036879777423,1.6723505114466088,0.03713459426542496,11.351843045139725,1.376234140248727,20.468878156973418,0.3283988253450691,3.43961047824196,2.122652558674049,1.203253656650209,5.603590162734328,0.9992994473238661,10.507111318035925,0.6932705452556244,2.6449613768891407,0.7698056770162756,0.001253963429742184,5.72012903373053E-27,5.032719032488099E-72,8.540345680103237E-139,2.79527228701108E-227,0.0,0.0,14.61298747572173,0.7260155895205358,0.42898111666666594,0.9267505159275614,0.046043652831255034,0.5696236785488481,0.6004423914835866,0.5185086334082114,15.767984181908933,17.18939938032336,37.508554355626636,0.8901257738913421,1.6885747034406462,13.925130208076647,0.27733913102364494,0.07110279517907925,0.9755883164407102,0.01943025392764773,0.5178925133753168,0.08623923203839882,0.014244689567220758,14.273572134279371,4.871818779754286,19.41998873662254,0.9633824746610654,0.6183764349809364,13.902756437570332,0.46671190066342483,0.22107211834856086,0.9528609635086066,0.031987293551752866,0.5156636448186456,0.2479908892403587,0.13770432689283174,14.590540456582318,9.665270686515026,25.69025568470518,0.9292914452629099,0.901358860951836,14.644812450481538,0.6882470749988556,0.3986431346275396,0.9309108344399043,0.04374905182667199,0.5722109892068552,0.5390836652548519,0.4477630163226222,15.731702660107933,16.1916682456189,35.941394454506856,0.8963662516598564,1.5590576707843293,13.983752994634713,0.5673796289800395,0.3020775844954557,0.9414633468931349,0.038199124703038045,0.5215548755679064,0.36663809118721896,0.25710862215650526,14.853210208110207,12.329667580458926,29.579590520374637,0.9121950203397023,1.1453015889116307,14.724324718682364,0.7509038272148212,0.4488959068234144,0.924655214947579,0.047155109183194745,0.578358003673216,0.6422480831931342,0.5677680266737598,15.9241244527206,18.00331853582249,38.890683828146926,0.8869828224213684,1.7883741135401099,14.804965205543553,0.6994211947586484,0.40819348546255524,0.9303937709552638,0.04395397853646246,0.5847732162972932,0.5568806324424405,0.4694742533387726,15.912579885764757,16.683695977119086,36.82308121933647,0.8955906564328956,1.6111281020785062 +UMLCN0140,L,"1,6-dimethoxyhexane",COCCCCCCOC,Ethers,,C8H18O2,NREL (2014),Blend (Method?),PubChem,,88,0,-1.2324,1.51880976,35.702400000000004,27.686273999999973,0,0,28,10,18,0,8,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1684.338121999998,1707.904144999999,1665.5171519999978,1505.2621189999973,1320.698157999997,1123.9414289999975,927.1847000000002,746.3321150000002,517.5916260000001,4380.424167680095,5393.761611719267,6634.433981483821,6655.924949652241,6022.1315378682775,5015.333192913155,4008.53484795804,3036.1851775649575,2125.830101027993,207.9599120000001,205.95549200000005,382.9967519999998,415.0827319999998,432.81939999999975,369.93449999999996,307.04960000000005,244.9891640000002,171.86565600000006,31.600640287281976,39.345657580000015,52.36600091818804,56.60666210098007,52.920488099772086,43.89895924037607,34.87743038098,26.609325521583976,19.14947795818799,4713.775156761482,4003.550952942201,8200.758338880489,9360.934825084982,10100.991494337373,8622.036339298778,7143.0811842601815,5669.685014284085,4056.9239582499886,64.0,65.75,102.5,98.25,98.0,85.75,73.5,65.25,43.0,60.15493292857136,63.25570907407404,33.31034303999996,26.408107350877145,22.011635966666617,22.03806723529407,22.075826190476196,22.616124696969703,21.566317750000007,156.4437202742891,199.7689485821951,132.68867962967641,116.7706131517937,100.36885896447129,98.3398665277089,95.44130590376285,92.00561144136235,88.57625420949971,7.427139714285717,7.627981185185187,7.659935039999996,7.282153192982452,7.213656666666663,7.253617647058823,7.310704761904764,7.423914060606066,7.161069000000002,1.1285942959743562,1.4572465770370375,1.0473200183637608,0.9930993351049134,0.8820081349962015,0.8607639066740407,0.8304150090709524,0.8063431976237568,0.7978949149244996,168.34911274148152,148.27966492378522,164.01516677760978,164.22692675587686,168.34985823895622,169.05953606468194,170.07336153000432,171.80863679648743,169.0384982604162,2.2857142857142856,2.435185185185185,2.05,1.7236842105263157,1.6333333333333333,1.6813725490196079,1.75,1.9772727272727273,1.7916666666666667,0.34407229003723844,-0.047581567366923615,-0.1731182654870569,0.01812276559630153,0.030420405037588645,3.173166324787137E-4,-0.054214778566964036,0.08860026717381354,0.01351990868215905,920.6519469999992,8.061343749998954,-390.41920050000084,-193.56229474999998,16.890588000000648,14.199347750000456,11.508107500000392,24.721011250000274,73.35533100000023,1284.7724176227675,-219.44757046714037,-216.4899528328694,-296.5530897233127,-3.812786385712542,-3.84737312513559,-3.881959864558638,30.53212795806246,-119.91496050918687,2.043175428571428,0.06083769387755378,-0.9673526938775443,-0.2006108367346951,-0.07048163265306431,-0.11274124489796099,-0.1550008571428577,0.6272035306122453,0.1958010612244878,5.629928378600716,-1.7269451815957453,0.11233337593215778,-1.2281761662666635,-0.18780986980824707,-0.20088404444523197,-0.21395821908221765,0.5263916062807965,-1.2688192483561846,31.29260813488639,-10.675891797471467,2.091289814043312,-6.577984157184078,-1.3594658408918914,-1.4738599138584565,-1.5882539868250216,3.85633700270841,-8.104127340972482,12.428571428571416,1.4795918367346943,-6.265306122448978,-1.69387755102041,-0.48979591836734837,-0.8163265306122462,-1.1428571428571443,2.5306122448979593,3.0612244897959178,0.012288296072758515,-0.0017622802728490229,-0.003462365309741138,3.1794325607546547E-4,5.070067506264774E-4,6.221894754484582E-6,-0.0012908280611181914,0.0026848565810246527,5.633295284232937E-4,32.880426678571396,0.29856828703699834,-7.808384010000017,-3.39582973245614,0.2815098000000108,0.2784185833333423,0.27400255952381886,0.7491215530303114,3.0564721250000098,45.884729200813126,-8.127687795079273,-4.329799056657388,-5.202685784619521,-0.0635464397618757,-0.07543868872814882,-0.09242761582282472,0.9252159987291655,-4.9964566878827865,0.07297055102040814,0.0022532479213908806,-0.019347053877550886,-0.0035194883637665805,-0.0011746938775510718,-0.0022106126450580584,-0.003690496598639469,0.019006167594310463,0.008158377551020324,0.20106887066431128,-0.06396093265169427,0.0022466675186431557,-0.021546950285380062,-0.0031301644968041178,-0.003938902832259451,-0.005094243311481373,0.015951260796387774,-0.05286746868150769,1.117593147674514,-0.3954033999063506,0.04182579628086624,-0.11540323082779085,-0.022657764014864856,-0.028899213997224636,-0.037815571114881465,0.11685869705176999,-0.3376719725405201,0.4438775510204077,0.05479969765684053,-0.12530612244897957,-0.02971715001790193,-0.008163265306122472,-0.016006402561024435,-0.027210884353741534,0.0766852195423624,0.12755102040816324,-0.14341128032842235,-0.28176122134758225,0.025873665005541537,0.041259320871218474,5.063268916735883E-4,-0.10504532552562613,0.21848892353567353,0.04584276982649522,0.009080426174383533,-0.2374781837940334,-0.10327815285527443,0.008561622473818881,0.00846760858838828,0.008333303037773226,0.022783206567040193,0.09295719167148012,-0.17713273972934862,-0.09436252827619737,-0.11338599737289773,-0.001384914782514388,-0.0016440914012588739,-0.0020143437137509967,0.020163919779933443,-0.10889149342074016,0.0308788667466784,-0.2651350936371574,-0.04823162651988557,-0.016098191134976323,-0.03029458616037862,-0.05057515048238191,0.2604635339672149,0.1118036993956455,-0.31810459988348166,0.01117362181037966,-0.10716203962448842,-0.015567623603108576,-0.01958981924574258,-0.025335813020934104,0.07933232401259536,-0.2629321411456627,-0.3537990553441611,0.03742488612058627,-0.10326050322330778,-0.020273714152606512,-0.025858438786384896,-0.033836616834639725,0.1045628252955285,-0.3021421285940661,0.12345679012345695,-0.2822988505747129,-0.06694898164952626,-0.018390804597701222,-0.03606040117196313,-0.06130268199233731,0.17276210379658674,0.2873563218390807,1.1270697413879704,1.791128307411379,0.7051016509256023,0.6746752420410216,0.8075118235058488,1.0649752910608663,0.9797401670737876,0.5903414228597362,1.2180524601660367,1.3784969544630763,1.0491993925325587,0.8783891511718068,0.8941633875737445,0.9166980110050843,0.9373902615161007,0.7591234286772226,1.6306732938379709,1.1360750738451995,1.1532657350907098,0.9378977301182966,0.9178741316475512,0.8892689909750582,0.823123091529718,1.0158191766700326,0.9115086125042897,1.770996121723134,0.7855713109873514,0.7358460653822613,0.8534110415606335,1.0213610075297364,0.9507665773218246,0.5192527695684899,1.8765188210559056,1.0463540955988229,1.16727215621439,0.9480216249026603,0.9260408251784117,0.8946396827151999,0.7366176318896799,1.1560961640320784,1.9276176680777637,1.0393578663750767,1.1599621343873645,0.9447313227941958,0.926468962259288,0.9003798757808481,0.7147142160388146,1.1825553788398673,0.864942528735633,1.6510344827586225,0.8194192377495471,0.7603448275862077,0.8732251521298183,1.0344827586206906,1.0203761755485903,0.45258620689655216,62.59831147880477,31.549155739402373,51.02311538991076,62.998311478804744,6.299831147880474,31.549155739402458,0.4999999999999787,1.6653345369377348E-16,1.6653345369377347E-17,-36.33133546156894,47.26202854404354,4.726202854404354,3.8557071939024166,62.61609128615632,31.557311222176857,51.034016280410775,63.01491621271423,6.301491621271424,31.557311222176942,0.498531158197391,1.6653345369377348E-16,1.6653345369377347E-17,-36.33133546156894,47.2679507430756,4.72679507430756,3.8558324916986177,78.51467813627137,38.85834459007767,60.90787497067824,77.87628697137855,7.787628697137855,38.85834459007767,-0.7979889561160292,2.220446049250313E-16,2.2204460492503132E-17,-36.04365338911715,53.09015173303211,5.3090151733032105,3.971991444625629,62.634752018650204,31.56587080954407,51.04545763310067,63.03234369900056,6.303234369900055,31.565870809544155,0.49698960043793505,3.885780586188048E-16,3.8857805861880476E-17,-35.48403760118173,47.27416787381904,4.7274167873819035,3.8559640125666363,95.55043630998988,46.69292389065576,71.72535537150031,93.81876548704722,9.38187654870472,46.69292389065576,-2.164588528678351,1.6653345369377348E-16,1.6653345369377347E-17,-36.33133546156894,60.323015003145386,6.032301500314539,4.099713705924464,64.46271608612632,32.40449222894146,52.16801458084036,64.7397307835316,6.4739730783531595,32.40449222894149,0.34626837175659375,5.551115123125783E-16,5.551115123125783E-17,-35.127362657243,47.890621222433914,4.789062122243392,3.868919686131606,64.16541069156769,32.34298210308691,53.76015238619896,64.5439821201391,6.454398212013912,32.34298210308696,0.9464285714285658,0.0,0.0,0.0,44.5083228478185,4.45083228478185,3.7956762019722667,0,11.996291895232917,15.998259707158715,-0.4109526694825038,0.06335683439012452,4.315027418251089,7.112116864992898,9.0,27.0,27.0,27.0,9.0,0.0,0.0,0.0,0.0,0.0,23.509725999999993,3.490945407359043,3.267797373645545,2.975628964549273,2.6766371033709144,2.3337847203252506,1.9083651849302659,1.481097100227124,1.1720251880903885,1.8766757673757117,1.636903720832467,1.4498385351268277,1.3596984998013528,1.1525883348088708,0.8566303940428274,0.6405136529917302,0.5246412594993346,3.489082390098552,3.195982776518065,2.8815347050883924,2.673311964347659,2.3953521981764982,1.9525734515388402,1.5342022282744867,1.2711321906605593,1.8326045295871227,1.6252121028628037,1.4262221624546623,1.2784602121061925,1.0490171188178108,0.7449062349619758,0.5043391285751877,0.3707785056380117,3.6370100537395627,3.418228680197773,3.164103736222642,2.938764381662107,2.6575756890153515,2.289100456417898,1.9563347809679217,1.7528685854683475,1.6368705768874083,1.3594145585541257,1.0925564537459658,0.945346845565512,0.706555180383734,0.32553586330400014,0.009510819162950334,0.16874047761078076,3.5035465230304403,3.1943243119887885,2.8735772135158375,2.695320853255612,2.440242789146274,1.998286778857831,1.5959999322922698,1.3539211382357812,1.8058578841603545,1.6179681958432064,1.4087833586225926,1.2241203220488472,0.9796460964134648,0.6705263574270591,0.41386334681839415,0.2670491864646826,3.689535282954584,3.461645657202763,3.2217038725439755,3.035433542290471,2.778357121601897,2.426500024401278,2.1261590087428077,1.9519889345720844,1.5840595373433102,1.3082358462042816,1.0272180858429218,0.8497230660297684,0.5922230652030083,0.19168783476376514,0.15930333627161727,0.3652622675035372,3.662910156647355,3.5986044426293287,3.279554813019124,2.9013396429348393,2.5374901974771302,2.1808473308896366,1.8262196946447542,1.5493448425170764,1.7591327121540992,1.4401206979067835,1.0875443139777499,0.9738124619987903,0.854650584473772,0.5240205648617652,0.24928889716599253,0.10102718828455368,0,0,0,0,0,2,4,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.6568542494923815,4.914213562373096,3.121320343559643,1.9571067811865475,1.2071067811865475,0.7285533905932737,0.42677669529663687,0.23927669529663687,0.7656854249492382,0.5460237291525663,0.39016504294495535,0.27958668302664963,0.20118446353109123,0.14571067811865474,0.10669417382415922,0.07975889843221229,7.059137268047012,3.8938468501173524,2.399812122026584,1.4469234250586762,0.8463526704200182,0.473461712529338,0.24639963991337221,0.1228954059492991,0.7059137268047012,0.4326496500130392,0.299976515253323,0.20670334643695373,0.14105877840333636,0.0946923425058676,0.061599909978343054,0.04096513531643303,14.30604844290658,27.651857246904584,26.227450980392167,26.639999999999993,16.14746946107784,216.8206431137725,0.5109303015323778,0.9875663302465922,0.9366946778711488,0.9514285714285712,0.5766953378956371,7.743594396920446,1.8396000000000001,42.220000000000006,34.34287175318626,54.77460084771694,68.68574350637252,6.868574350637252,34.342871753186266,1.1657341758564144E-15,1.1657341758564144E-16,-34.385425312513625,49.36979012827422,4.936979012827422,3.899338701264657,122,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.834225245653817,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.22359410430839,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.490385015117158,0.0,6.675389739229025,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.834225245653817,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.917112622826909,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3025,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.745192507558579,0.0,0.8958156179138321,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.917112622826909,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.917112622826909,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.47040816326530616,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.745192507558579,0.0,1.261111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.917112622826909,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.0,2.0,0.47040816326530616,4.917112622826909,0.22585726883345925,0.8958156179138321,4.7253841808390025,0.6041843820861679,1.4171126228269089,5.668450491307635,0.6041843820861679,1.4171126228269089,5.668450491307635,4.66666,0.46667,0.0,0.03333,0.49762,0.85333,0.425,0.49762,0.85333,0.07262,0.0,-0.07262,0.0,0.54687,0.16742,0.0,0.21429,0.0,0.0,5.5,0.55,5.5,0.55,0.0,0.0,-5.5,-0.55,0.0,0.0,8.39402,0.8394,10.82617,2.43215,0.24321,3.76051,0.37605,4.91421,1.15371,0.11537,-2.1E-4,-2.0E-5,-2.1E-4,-2.0E-5,0.0,9.02,2,2,2,2,0,0,1.0,1.1981174211304033,1.6266888497018317,2.7534343861887853,3.039148671903071,3.039148671903071,3.039148671903071,33.54728779165129,45.547287791651286,77.09616281328599,85.09616281328599,85.09616281328599,85.09616281328599,0.2492259133256579,0.3383750266155905,0.572754546071727,0.6321872882650154,0.6321872882650154,0.6321872882650154,3.6092375009272004,3.180666072355772,2.0539205358688184,1.7682062501545328,1.7682062501545328,1.7682062501545328,0.25197597642115843,0.342108798359938,0.5790745595844224,0.6391631075436088,0.6391631075436088,0.6391631075436088,10.959508116884994,16.10236525974214,18.808238325822245,19.096188334965102,19.096188334965102,19.096188334965102,36.51381935197564,27.879348591481886,25.99771253414621,25.075021194651804,25.075021194651804,25.075021194651804,10.0,9.0,9.142857142857142,10,0,6,2.1199999999999997,1.3532000000000013,0.1111111111111111,2.8980741290212744,0.0,0.0,7.473424936522629,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.14285714285714285,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.507,0.516,0.497,0.068,4.486,8.0,7.0,6.0,5.0,4.0,3.0,2.0,1.0,0.0,55.0,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,4.02535169073515,1.0,0.4444444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.7777777777777778,9.0,1.0,0,5.0,9.0,0.8,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.0,0.0,0.05555555555555555,0.02777777777777779,0.017857142857142856,0.013333333333333336,0.01111111111111111,0.010204081632653062,0.010416666666666666,0.012345679012345675,0.0,0.0,0.15860134794658604,34.34287175318626,54.77460084771694,68.68574350637252,6.868574350637252,34.342871753186266,1.1657341758564144E-15,1.1657341758564144E-16,-34.385425312513625,49.36979012827422,4.936979012827422,3.899338701264657,18.46,164.50478910885565,4.321928094887363,3.5553480614894135,4.174387269895637,4.812184355372417,5.4510384535657,6.09807428216624,6.744059186311348,7.394493107219038,8.043342170441608,8.695004592732307,73.9679314791937,2.9444389791664403,0.0,3.9318256327243257,0.0,5.056245805348308,0.0,6.244166900663736,0.0,7.466799475018602,7.822845290279774,146.130679816,5.218952850571428,18.82909733129015,1.882909733129015,5.409637105829135,5.409637105829135,0.0,165.0,7.0,1.262,34.0,1.2317407407407406,2.098529099288186,2.852400301322985,3.562482507793235,4.870815277534137,5.904295736479297,7.178013515225877,8.284151933491383,9.423732419433868,11.096747336682311,89.58445676737034,77.39074108109504,91.1032397416371,101.49281933185777,128.3443855218278,154.81090968039885,185.55615405727028,201.76551196191204,137.96672579299747,134.34929651897835,267.4600602529378,297.76486860901275,364.7579357214608,420.33492764428786,527.6077621442614,622.554081270804,708.6651451530009,781.2440584035133,674.5182520961163,1273.2032421294928,9.492062603703703,16.12282889089224,20.85981505308974,26.06778292895877,35.60784424880965,43.620766727311434,53.750665278136026,59.76872133433046,72.40044127674443,78.98256393948479,1.8910088491311106,2.312683350706654,2.991517203537063,3.511616999922227,4.456282179348219,5.225216486646509,6.047495707612554,6.850977321769918,5.7988674841122085,12.35671985627024,181.2276121576633,340.780944039444,465.28791640948054,587.3813945631235,815.4335253292088,993.133906962224,1225.7715516537226,1390.0682271660764,1710.5593606076907,1699.1622235191332,3.143435185185185,4.3859980554692015,5.069169369376743,6.3174340799721005,8.58400006635556,10.948283242248952,14.941468182304368,15.634590616679644,18.95206165903618,22.193494673364622,0.4364236111111112,0.5448888470921712,0.6798551944150911,0.8078193440232734,1.041402781394363,1.2500227695072237,1.4555279460912292,1.6545013404196347,1.5460934049477626,2.663219360803754,540.6978753631652,502.16097171887657,23.755655286283794,79.21663320705258,-73.57066361844502,-29.41294008642654,461.48124215611256,575.7316353373216,53.168595372710335,0.8722136163746848,0.8100487482976804,0.03832085708249396,0.12778638362531516,-0.11867872521346493,-0.0474467683524057,335.1864576907174,311.2968720062504,14.726475372560115,49.107540245137194,-45.60752178221315,-18.233508299282366,0.06062334721078611,0.413303802896315,1.347818176293197,20.77479670739253,543.5911512974275,76.32335727279028,0.8768808340220591,0.12311916597794084,701.1274413359681,26.478811176787527,8.883804411276401,875.4940908081455,29.58874939581167,9.566455883131814,1087.8399559834145,32.9824188922434,10.284622026342252,3.848607920033741,3.848607920033741,1876.8623008278744,1849.3050676984508,54.27432864062757,1.01490139923951,34.58103209816456,34.07329236522579,4.965028753200301,6.669878980244835,12.055205033025008,0.8074098598686253,5.020210345275003,6.273710609275644,10.866135253874505,26.42363345315289,13.820318951833336,4.142656140586081,7.861238723530988,6.8689422652710626,12.50412122631907,4.019137517367458,3.6490589641702647,4.656641200653922,9.08771089778584,3.8344322913351405,3.77998031355066,4.283852112500144,0.7852818547947275,1.9419051102968166,0.027793387153156004,2.4147666780074473,0.5186782022650158,0.6935909913740923,2.4568245942025073,5.114897363219709E-9,3.4219578060779706E-39,4.415587893452897E-91,1.0989509846333696E-164,5.2752617784981815E-260,0.0,0.0,0.4213119453939673,6.7816591621531686,1.0162162828615549,4.870368838782367,0.4066927260257239,0.8469059783681043,0.9190970577453739,0.2013745111626117,2.8151475899247047,0.18096818060574915,2.109835604022436,0.3902331903789784,0.21475749345676984,0.5806663516863481,0.09445567260236272,3.7640457497182123,0.06014057067377422,1.3115513810456207,0.003107045327111279,0.13262195568737556,0.005723192682235025,0.05820737950609374,0.017303616499931933,3.602464035019817E-11,2.4101128625563166E-41,3.1099346575392263E-93,7.74000164081352E-167,3.71541000392466E-262,0.0,0.0,1.3600449431659898,5.836731229591601,2.0097375493208336,6.649017320215356,1.8091260226491943,1.0525135290782994,1.9034168974397065,0.8859506934455803,3.7888797839177237,0.6871977587117983,2.3043701583540686,1.2075931494301722,1.0337125398350098,0.8185025285148017,0.4517051673171284,2.64390366979516,0.19791940814353443,0.7746983646512503,0.00538219585697051,0.4710875211904069,0.04000049718612585,0.1879011136543699,0.1803170250877374,3.7540452759276957E-10,2.5115234234621157E-40,3.2407916903783126E-92,8.065678466990933E-166,3.8717436837065183E-261,0.0,0.0,4.73866919962045,6.779900950496559,12.68018324613475,24.671839789539984,12.526665185044154,3.7928631637178505,8.663452231095565,6.221470790357922,12.96374177053277,3.686095364533166,3.6218919832676013,4.4692600946631105,8.193520742022331,4.788271857998112,3.414601422487717,4.920165945594187,0.7373112266258217,2.1793712143171047,0.03490953073594642,2.23063680449363,0.46236045960792915,0.6546926934676947,2.188986481888528,4.557281464356888E-9,3.048902797852804E-39,3.934209316842392E-91,9.791455422976157E-165,4.700163271242447E-260,0.0,0.0,2.004455789584527,5.477662811906748,2.289698774847168,8.566017178135736,3.1684118706457505,1.3332432790159447,2.35768766680634,1.5567331648444362,4.427960014636198,1.1170216255159295,2.4790705734499783,1.7610614673269833,1.8905061348512835,0.7972581574522902,0.8142426819987053,2.494954246413812,0.29552900412475513,0.624226625235303,0.0053293649511160085,0.7410896293591795,0.08444224862725791,0.2769322734078183,0.39167267364654257,8.154287979725359E-10,5.4553644821651476E-40,7.039432607566314E-92,1.7519731419717852E-165,8.409944649062276E-261,0.0,0.0,6.062631034318352,6.594443651864924,15.554485566426246,35.701117791430335,19.146606432998453,5.666809171147174,10.530585365769182,9.53795225525189,16.630577099843784,5.363596296319592,4.06063826355084,5.739141589286972,12.797073795390705,5.5379149196937725,5.291493734475958,5.260665097698877,0.9671814938061727,2.5893797024556835,0.04059247104927341,3.1502131461327454,0.7554865709393909,0.8376145256746658,3.5830477744047355,7.459597098156695E-9,4.99060385918782E-39,6.439719958705691E-91,1.6027167299457297E-164,7.693473526540368E-260,0.0,0.0,3.1685752242718848,7.59208417694093,11.957462950557124,14.729250385435588,5.995647649697966,2.2188850379440312,7.822664439506963,2.9663793856610674,10.19781569497906,1.8980319402189476,3.3339657574040427,2.8139684580265425,3.7914764275351844,5.09847651913221,1.5985388620350738,7.4132869479053785,0.4320352427788539,3.0040231802204,0.03683865823685228,1.4780538113515995,0.19879259711479672,0.5253188907482944,0.9303951125973995,1.937002551751843E-9,1.2958893466804152E-39,1.672175296928908E-91,4.161707870800927E-165,1.9977322711472407E-260,0.0,0.0,13.231250181865894,0.6341278040124513,0.473386725,0.9227608129888473,0.044224716480029805,0.5230796319885392,0.5964280711186056,0.571411934984778,14.338764710878344,14.953989497788012,33.26461256211914,0.8841412194832707,1.690919638091923,12.56286389543055,0.2799337061789977,0.09136884993776917,0.9712928886830317,0.02164296456425371,0.47454538731371565,0.09696717849562732,0.02128695166785548,12.934166451547316,4.6902006973127985,17.94569029249832,0.9569393330245476,0.5927995174771984,12.431343744942271,0.422478804221496,0.25100692675582437,0.9486078218556857,0.032238405314453725,0.46202303726930277,0.25663144665699,0.16065290013406533,13.104829475919592,8.4783777353599,22.90149037975491,0.9229117327835287,0.879307384060358,13.306738189749147,0.6242795279520092,0.4524642437127958,0.9251402564029109,0.04340253143339988,0.5290683937512195,0.5745060651078789,0.5220182496673796,14.383481961413953,14.610411631466784,32.752570277604825,0.8877103846043662,1.625592708526478,12.495939486659205,0.484566658261119,0.327751128192271,0.9389613703896031,0.03641097765972076,0.4665526178130011,0.3465368190612353,0.2739085240644977,13.308257273112595,10.309491172387956,25.602319427479323,0.9084420555844048,1.0869979609387341,13.366713658195064,0.6599320292337354,0.49779002778277137,0.9202914261375391,0.04543598403224593,0.5338493927317677,0.6461364916972098,0.6318435281379272,14.52443571521157,15.803446815083225,34.718949329033805,0.8804371392063086,1.8118294125669046,13.304819045819094,0.6260362513938889,0.46010799498597477,0.9245259525490807,0.04350203934807131,0.528900890353356,0.5798017283173473,0.5398047685136281,14.390963292198958,14.738996940159014,32.96233731371363,0.8867889288236209,1.6485073871843312 +UMLCN0141,L,"1,2-dimethoxyethane",COCCOC,Ethers,,C4H10O2,NREL (2014),IQT,PubChem,,81,0,-0.08039999999999975,0.006464159999999959,24.055999999999997,15.311930000000002,0,0,16,6,10,0,4,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1099.153125999999,1033.9909569999998,890.6830039999998,734.1393469999998,517.5916260000001,253.218841,72.642528,9.144576,0.0,2437.686605235337,2781.801073757802,2980.245534834488,2663.1802443937922,2125.830101027993,1288.603618673293,688.4196982231118,279.75369987837234,0.0,124.05013599999997,118.852372,212.07872000000012,164.36759600000005,171.86565600000006,144.989092,42.705792,60.46617599999999,0.0,16.88813704849,19.2817031,21.615240338791985,21.273970663395993,19.14947795818799,11.332862774188005,6.68126586,4.001516143641,0.0,2727.25651620749,2271.3931468790006,4503.949543017092,3450.673189993097,4056.9239582499886,3456.9118405578884,918.7352862774,1664.258868218241,0.0,47.0,44.75,65.5,53.25,43.0,37.0,12.0,9.0,0.0,68.69707037499994,68.93273046666665,34.25703861538461,34.95901652380952,21.566317750000007,13.327307421052632,12.107088,1.016064,0.0,152.35541282720857,185.4534049171868,114.62482826286492,126.81810687589487,88.57625420949971,67.82124308806806,114.73661637051863,31.08374443093026,0.0,7.753133499999998,7.9234914666666665,8.15687384615385,7.827028380952383,7.161069000000002,7.631004842105263,7.117632,6.718463999999999,0.0,1.055508565530625,1.2854468733333335,0.8313553976458455,1.0130462220664758,0.7978949149244996,0.5964664617993687,1.11354431,0.444612904849,0.0,170.45353226296814,151.42620979193336,173.22882857758046,164.31777095205223,169.0384982604162,181.9427284504152,153.1225477129,184.917652024249,0.0,2.9375,2.9833333333333334,2.519230769230769,2.5357142857142856,1.7916666666666667,1.9473684210526316,2.0,1.0,0.0,0.33396111900058467,-0.04823687145053277,-0.21857063514596375,0.10545242622241233,0.040198636475577726,-0.08218380438429967,0.011391439170093639,0.02496824961242012,0.0,591.5296957500002,10.190251359375367,-212.69049909374985,-212.3606212968748,93.91120612499981,9.685962421874706,-176.98555490624994,192.4844075156247,0.0,684.3519460595212,-220.93140714213118,76.33352464200973,-259.5280043010092,-121.66571337464069,264.9925332009719,-296.8437842971296,215.46687824216835,0.0,1.8813269999999986,-0.03162356249999894,-1.3091163749999968,0.330713812500001,0.35072849999999683,-0.5630293124999993,0.017724374999999223,0.26393906249999766,0.0,2.9156238781837476,-1.8178022806441414,1.0274571696209063,-0.4409395687507973,-1.3038903973938751,1.6137595905079223,-1.1813787113189065,0.6449822588870161,0.0,16.447254795433736,-11.364432226815973,6.178508780452139,-0.9360011864289031,-8.269086933068868,9.251028197911008,-6.133049245100137,3.049405215333868,0.0,11.0,0.5,-8.0,0.0,4.0,-2.75,-1.5,2.25,0.0,0.020872569937536542,-0.003215791430035518,-0.008406562890229376,0.005021544105829158,0.0016749431864824052,-0.004325463388647351,0.0018985731950156065,0.002774249956935569,0.0,36.97060598437501,0.6793500906250245,-8.18040381129807,-10.112410537946419,3.912966921874992,0.5097874958881424,-29.49759248437499,21.387156390624966,0.0,42.771996628720075,-14.728760476142078,2.9359047939234513,-12.358476395286154,-5.069404723943362,13.946975431630099,-49.473964049521605,23.940764249129817,0.0,0.11758293749999991,-0.0021082374999999293,-0.050350629807692185,0.015748276785714332,0.014613687499999868,-0.02963312171052628,0.0029540624999998704,0.02932656249999974,0.0,0.18222649238648422,-0.12118681870960943,0.03951758344695793,-0.020997122321466537,-0.05432876655807813,0.08493471528989065,-0.1968964518864844,0.07166469543189068,0.0,1.0279534247146085,-0.7576288151210648,0.23763495309431304,-0.044571485068043,-0.3445452888778695,0.48689622094268464,-1.0221748741833563,0.3388228017037631,0.0,0.6875,0.03333333333333333,-0.3076923076923077,0.0,0.16666666666666666,-0.14473684210526316,-0.25,0.25,0.0,-0.15406782392676738,-0.4027564844859516,0.24058101713668611,0.0802461408199784,-0.2072319509093406,0.09096020282587604,0.13291367403428597,0.0,0.018375411290584204,-0.2212677772919215,-0.27352569071278554,0.10583994548341295,0.013788994859959701,-0.7978660803353247,0.5784908259189443,0.0,-0.3443552239095654,0.06864081701418824,-0.28893849643174757,-0.1185215824257176,0.3260772592099462,-1.1566905440252786,0.5597298731912443,0.0,-0.017929791046425683,-0.4282137432371276,0.13393335054003344,0.1242840824588166,-0.2520188927115918,0.02512322419228447,0.24941171843065887,0.0,-0.6650340305765435,0.2168597053558221,-0.11522541012825804,-0.2981386836050833,0.4660942225115796,-1.080503988788231,0.3932726492912842,0.0,-0.7370264030507082,0.23117287941356665,-0.043359440220180616,-0.3351759725626926,0.4736559159553965,-0.9943785872080182,0.3296090985813202,0.0,0.048484848484848485,-0.44755244755244755,0.0,0.2424242424242424,-0.2105263157894737,-0.36363636363636365,0.36363636363636365,0.0,1.1361118531578163,2.00132909647393,0.8355221367240019,0.3303416370894849,1.3374924911278263,0.006207366921694799,0.0,0.0,1.0771028700294965,1.347568636543676,1.2736834377745123,0.6563852515176114,0.8997949871733041,1.5349949022402902,0.0,0.0,1.7454972155749626,0.7603542137331541,1.3490673235013277,1.059474723165012,0.2887962090972441,2.467232847829613,0.0,0.0,0.9395006822312126,1.9966827015840833,0.9014412243515958,0.3132908314184618,1.419853897639385,0.09454496746179687,0.0,0.0,2.2427342131380716,0.5654570039008032,1.2417541546889581,1.2402031404701102,0.014849976550571792,2.5888737545494207,0.0,0.0,2.3379301923334084,0.5785884641353329,1.1871426330990464,1.249963478475038,5.535894309980897E-5,2.492929408180071,0.0,0.0,0.8863636363636364,1.8881118881118881,1.0064935064935066,0.2840909090909091,1.3456937799043063,0.6818181818181819,0.0,0.0,19.27041472503902,9.885207362519509,16.03695588860108,19.603748058372354,3.267291343062059,9.885363664878444,0.49999999999999645,5.551115123125783E-16,9.251858538542972E-17,-21.076417594345802,16.99442510920693,2.8324041848678214,1.6997312133127942,19.284924988392312,9.891728073294853,16.04727824454272,19.617279093857242,3.269546515642874,9.89188326559923,0.4985311581973928,4.440892098500626E-16,7.401486830834377E-17,-21.21030372513433,17.00018108357164,2.8333635139286066,1.6999343975845722,32.13812621556729,15.670068629725606,25.276589096749777,31.60613357815657,5.267688929692762,15.670068949803476,-0.7979889561160789,1.1102230246251565E-16,1.850371707708594E-17,-22.042080341806265,22.179901569398094,3.696650261566349,1.859511926462071,19.30015379748609,9.89857169896199,16.05811213192654,19.631480197778018,3.271913366296336,9.898725734779935,0.4969896004378871,1.1102230246251565E-16,1.850371707708594E-17,-22.042080341806265,17.006222783275007,2.834370463879168,1.7001475938916182,45.727815808663195,21.78161363999244,35.118059086686976,44.28475678954432,7.380792798257386,21.78161364056524,-2.1645885286783155,0.0,0.0,0.0,27.57002099067272,4.595003498445453,1.9900373918367604,20.790050451934384,10.568159411845489,17.11975375906161,21.020896033105444,3.5034826721842407,10.568233652559659,0.34626837175659375,0.0,0.0,0.0,17.60027860991287,2.9333797683188116,1.7207488392164985,17.09229076865943,8.977605408263894,15.040884916774122,17.649655260972235,2.9416092101620395,8.978081722715832,0.9166666666666607,1.1102230246251565E-16,1.850371707708594E-17,-22.042080341806265,13.984239987535059,2.3307066645891763,1.5827585882075677,0,11.996461445791223,15.99825807502091,-0.4087479044295332,0.07154611636221427,4.14595979108445,5.519384568479147,5.0,15.0,15.0,15.0,5.0,0.0,0.0,0.0,0.0,0.0,14.764069999999998,3.359629266188966,2.927591974980304,2.490629231869681,1.8072394542108972,0.8322285674830618,0.719740472297573,0.08392307051869159,0.08392307051869137,1.662193238907314,1.425628215102002,1.292503548103062,0.7569837359613043,0.08392307051869093,0.08392307051869113,0.08392307051869118,0.08392307051869123,3.2495421673405,2.80810648202937,2.536496938411135,1.808555077512799,0.5258244529643392,0.5104186122095722,0.2709139018929375,0.27091390189293746,1.681310796787824,1.3990313218776915,1.1891424667611932,0.6562053286355563,0.27091390189293707,0.2709139018929371,0.2709139018929371,0.2709139018929373,3.495051807875354,3.1232682017817788,2.8049656479688605,2.1930068010126393,1.1592932322616085,1.147181449229345,0.9439184268026226,0.9439184268026225,1.3987061335681983,1.0420933104135628,0.8462506826216221,0.1987177418583206,0.9439184268026215,0.9439184268026217,0.943918426802622,0.9439184268026223,3.232316021606848,2.800879317502308,2.5767925364358546,1.8440385483858275,0.44391367115649194,0.44338479505597495,0.39927724550898264,0.3992772455089824,1.6883138553654802,1.3845434239652514,1.1211947936025826,0.5896847932578982,0.39927724550898175,0.39927724550898197,0.399277245508982,0.3992772455089821,3.526516933017074,3.1815935001535505,2.9221126904392425,2.326517520936879,1.2085946817409343,1.2085944357119647,1.2076448229620889,1.2076448229620884,1.358433669282714,0.969365376802674,0.7335960684002937,0.06318320927519239,1.207644822962087,1.207644822962087,1.2076448229620873,1.207644822962088,3.6021355536549375,3.3060019940372873,2.6804736939288936,2.0954705446693715,1.37645392511361,1.2136656440092868,0.5714285714285731,0.5714285714285717,1.4909686807633438,1.0773033627689976,0.9813123590954659,0.43890266707130016,0.5714285714285707,0.571428571428571,0.5714285714285713,0.5714285714285714,0,0,0,0,0,2,0,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.82842712474619,2.914213562373095,1.7071067811865475,0.9571067811865475,0.5,0.25,0.0,0.0,0.8047378541243649,0.5828427124746189,0.42677669529663687,0.31903559372884915,0.25,0.25,0.0,0.0,4.230710143300821,1.893846850117352,0.9855985596534889,0.4915816237971964,0.16666666666666666,0.08333333333333333,0.0,0.0,0.7051183572168035,0.3787693700234704,0.24639963991337221,0.16386054126573213,0.08333333333333333,0.08333333333333333,0.0,0.0,8.13873722776308,16.10050983248361,15.325490196078437,15.600000000000007,8.953251497005985,124.70762275449103,0.5086710767351925,1.0062818645302256,0.9578431372549023,0.9750000000000004,0.559578218562874,7.794226422155689,0.2792,23.751999999999995,12.109311503912984,19.57341311905074,24.21862300782597,4.036437167970995,12.109325540282487,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,18.981177982793387,3.1635296637988977,1.7660687134087372,38,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.314444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1222222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.303611111111111,0.0,1.3819444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.314444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.657222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5611111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6518055555555555,0.0,0.6909722222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.657222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.657222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5611111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6518055555555555,0.0,0.6909722222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.657222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,2.3333333333333335,0.5611111111111111,4.657222222222222,0.3488888888888888,0.6909722222222222,2.0932572222222223,0.8090277777777778,1.1572222222222224,4.628888888888889,0.8090277777777778,1.1572222222222224,4.628888888888889,2.66666,0.44444,0.0,0.05556,0.54583,0.95556,0.42,0.54583,0.95556,0.12583,0.0,-0.12583,0.0,0.46511,0.24918,0.0,0.375,0.0,0.0,3.5,0.58333,3.5,0.58333,0.0,0.0,-3.5,-0.58333,0.0,0.0,3.32474,0.55412,5.31294,1.9882,0.33137,1.76608,0.29435,2.91421,1.14813,0.19136,-2.1E-4,-4.0E-5,-2.1E-4,-4.0E-5,0.0,5.02,2,2,2,2,0,0,1.0,1.2987949406953985,1.5487949406953985,2.1556390622295662,2.1556390622295662,2.1556390622295662,1.7806390622295665,20.780719051126376,24.780719051126376,34.49022499567306,34.49022499567306,34.49022499567306,28.490224995673064,0.3246987351738496,0.3871987351738496,0.5389097655573916,0.5389097655573916,0.5389097655573916,0.4451597655573916,2.7012050593046015,2.4512050593046015,1.8443609377704338,1.8443609377704338,1.8443609377704338,2.2193609377704338,0.33243698765337565,0.3964264938558295,0.5517531165711627,0.5517531165711627,0.5517531165711627,0.45576885726748195,12.425204132167778,15.425204132167774,16.036796828371962,16.03679682837196,16.036796828371962,11.53679682837196,22.237949406953987,19.237949406953984,20.183834373377397,20.183834373377397,20.183834373377397,15.6838343733774,6.0,5.0,5.333333333333333,6,0,2,1.68,0.7896000000000002,0.19999999999999996,1.6329931618554518,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.507,0.516,0.497,0.068,2.49,4.0,3.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,21.0,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,0.0,0.0,0.0,0.0,3.091042453358316,1.0,0.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.6,5.0,1.0,0,3.0,5.0,0.6666666666666666,0.5,0.22222222222222232,0.125,0.08000000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.05555555555555558,0.041666666666666664,0.04000000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.23722222222222225,12.109311503912984,19.57341311905074,24.21862300782597,4.036437167970995,12.109325540282487,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,18.981177982793387,3.1635296637988977,1.7660687134087372,18.46,95.32085060538894,3.584962500721156,2.9444389791664403,3.4965075614664802,4.07753744390572,4.653960350157523,5.241747015059643,5.82600010738045,6.415096959171596,7.002155954403621,7.591357046698551,58.24880141741002,2.3978952727983707,0.0,3.295836866004329,0.0,4.343805421853684,0.0,5.459585514144159,0.0,6.608000625296087,6.996681488176539,90.06807956,5.6292549725,10.839150429449553,1.8065250715749255,5.340990257669732,5.340990257669732,0.0,35.0,3.0,-0.17,18.0,1.2174,2.0409222530880164,2.8089379579761142,3.4745987935768867,4.667371119245848,6.200241810571236,6.592018948610159,0.0,0.0,0.0,95.47478640233332,77.2135475678982,116.80219463757382,95.52525631437645,72.34551042711745,75.06687322186528,6.697913141000634,0.0,0.0,0.0,241.31612194728714,249.00379842656716,383.6467851773271,352.2960258662722,345.31865858568375,711.3947660239619,204.90463228244784,0.0,0.0,0.0,9.798231433333333,16.757634923710725,22.174516174190682,25.285489815751262,35.95104718581601,44.13103951865977,44.28824199355521,0.0,0.0,0.0,1.6101507726866668,1.7722904670507629,2.9677615987703803,3.007495681901356,2.933632101289913,6.904243988785698,2.930896693561214,0.0,0.0,0.0,183.82074307473113,351.0959828013179,459.98568588365265,577.2018931799909,845.7417106138537,949.3968224707118,1218.980666076349,0.0,0.0,0.0,3.853983333333333,5.295390054531571,7.534072307797167,6.9454522116151916,9.527639281140878,12.400483621142472,6.592018948610159,0.0,0.0,0.0,0.4146485000000001,0.4842132032758983,0.7213903259264642,0.7310346813606053,0.780044943911684,1.4880580345370966,0.6750227403376803,0.0,0.0,0.0,372.87609020350106,284.51945196281486,18.97458597295693,68.32079630500891,-52.13151508790875,-26.06575754395438,304.55529389849215,336.6509670507236,45.04034351691131,0.8451466943801945,0.6448809152177164,0.04300707133977234,0.15485330561980545,-0.11815929958268918,-0.059079649791344606,164.51177005125098,125.5290963571015,8.371528254056644,30.142922613552045,-23.000262145756754,-11.500131072878377,0.09187630413800232,0.5,0.23981902689554352,25.3034712451023,372.87609020350106,68.32079630500891,0.8451466943801945,0.15485330561980545,452.8011647513685,21.27912509365384,7.6789618819768375,549.6715255692447,23.44507465480212,8.191581313993508,643.2528419427645,25.362429732633355,8.632314168463397,2.438518718268918,2.3469275515171937,390.5818674581683,375.81929375823097,28.162736869108187,1.039281042631713,13.868746822209564,13.344558645167352,3.346278745262336,4.238046684984643,7.182869881567956,0.6948538832799535,2.7890059177865116,2.479641378435794,9.680805228264214,6.0428579919257315,7.067675089262883,4.714659781540826,3.211951874562116,1.723578859357671,0.0013158947981775676,0.05765575712292411,0.21407236862171905,2.6884167512932153,1.5670694266410257,8.575604146466403E-5,2.0096324255974169E-29,9.083316325581041E-76,7.918595390526223E-144,1.3314589204111016E-233,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2340624188793953,2.987758352726666,0.927748554431554,0.7414875645959423,0.35728488318253615,1.8769447202403358,0.26400000375067595,0.8782708136807953,1.0500815961310589E-4,0.006258597277352658,0.023775282554691312,0.220041245607359,0.011036998103715497,6.039868119028182E-7,1.4154005491651068E-31,6.397453958101735E-78,5.5771314801686805E-146,9.37757404357377E-236,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7555806457904339,2.042818850931091,1.7168989222462572,1.4082423068040362,1.3087661397557921,1.3377927387109458,0.8558854099391419,0.6046652818733437,2.060352109519055E-4,0.011980192092756511,0.03667307196857874,0.7139960884884528,0.11501402981094992,6.294008256307079E-6,1.4749565001859916E-30,6.666640270634831E-77,5.811801001433093E-145,9.772155168163015E-235,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6325942265501716,2.985850099422689,11.568908609778472,5.823393105955718,6.508918324838887,4.820741922609398,3.0279942630162258,2.099664969354569,0.0015039229445621104,0.06939748970067987,0.19324371642661747,2.53380467745204,1.3962306463361918,7.640708903248168E-5,1.790546310704589E-29,8.093071314221534E-76,7.055325930190504E-144,1.18630592710908E-233,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.113586631606304,1.6837357188159217,1.8507694230276912,1.9686789439789334,2.0861128647911773,1.456610552244647,1.2651221577819696,0.49124810676502595,2.3928423685894837E-4,0.013121512074972818,0.05323087570071884,1.0560181050720259,0.24982584168631333,1.3671426979796899E-5,3.203802611867078E-30,1.4480833508476215E-76,1.2624008386481285E-144,2.1226426845390418E-234,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.3681285584928835,2.8002972071359356,14.087120221415846,7.799359198360483,9.304550747542514,6.512093374504596,3.8970225990855534,2.3681431788378347,0.0019208866077164459,0.08173707632568866,0.3016133317585066,3.2648495360176644,2.285423483106415,1.2506712698855278E-4,2.93086002431759E-29,1.3247163196504819E-75,1.1548527175032795E-143,1.9418077028160433E-233,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6392529992999978,3.758825312836931,9.753070340895606,3.853181794953781,2.9608665522381252,4.279397369410453,2.071710587728214,2.397337333623448,0.001171447497051762,0.06120396270595662,0.09223131746327791,1.7320054189626537,0.5116961393113728,2.80019727231556E-5,6.562065063175238E-30,2.965980841006054E-76,2.585663800988154E-144,4.3476209646076786E-234,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.549547629729087,0.4709436200601642,0.41550376874999984,0.8622672350962514,0.07317339722973437,0.5877375586826342,0.618142122056995,0.4999807113648635,6.435995018539251,5.11506085445475,12.636984965670969,0.793400852644377,1.7058603921044928,4.098311099890658,0.2382393167095318,0.07435747966534256,0.9291309626665447,0.05401140135146227,0.32079784442959186,0.08965401001036469,0.016012260151570635,4.410907896265533,1.2988337955211215,5.782342761237707,0.8936964439998172,0.4264641145915272,4.844498019754441,0.3229285152215109,0.2212937837271287,0.8990071358760703,0.05992675368597178,0.4459496316279416,0.24960728429986,0.14182139224707405,5.388720318703081,2.7079459225696456,8.442864112441484,0.8485107038141054,0.8373783081748757,5.396506174158192,0.4667335786362683,0.38975328638378726,0.8630276957524627,0.07464162773122249,0.5546735093985249,0.5777411801916803,0.43992929946618115,6.252993039178248,4.803947601305275,12.038624184470411,0.7945415436286942,1.5723439890563864,5.201209501820688,0.360562648623871,0.2964754430777767,0.8878439189855757,0.0615478678338139,0.5155715786434183,0.3508748832856068,0.25455449422893406,5.858247593522335,3.524290736624801,9.938537072679603,0.8317658784783635,1.121000956157959,5.598628315072516,0.48951296447244286,0.4340848846790666,0.8583922381873746,0.075053049702192,0.5982338900664624,0.6691296405457601,0.5456983522616096,6.522226164224025,5.383371248731644,13.095250944279062,0.7875883572810619,1.813061882873832,5.487241376951836,0.46598983423378365,0.4003945407954546,0.8636393755551154,0.07334234851470232,0.5740207469610301,0.5909434718624542,0.46427960933021595,6.353625751981075,4.940639976698379,12.318074048839007,0.7954590633326732,1.6292438281537003 +UMLCN0142,L,ethyl tetradecanoate,CCCCCCCCCCCCCC(=O)OCC,Esters,,C16H32O2,NREL (2014),CFR,PubChem,,67,0,-2.820300000000004,7.954092090000023,58.7577,51.10137599999996,0,0,50,18,32,0,16,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2852.675985999997,2983.616477000001,3437.4496690000014,3214.9613799999966,3056.5167149999984,2712.0014209999986,2472.960099999998,2276.203370999997,2079.4466419999953,8203.731803707753,10508.996854574678,13810.167928120778,14350.78753363456,13649.156173320975,12775.450167380253,11709.113397134312,10702.315052179178,9695.516707224051,362.3425359999999,363.43310000000014,686.6606200000011,919.4244880000028,842.3457960000021,820.0073000000021,769.0196800000017,706.1347800000011,643.2498800000006,60.13642095516805,78.69603791999995,112.79258652413083,123.47908976354368,116.82283703905375,111.00227640505375,103.04412101675175,94.0225921573558,85.00106329795982,8316.977133820968,7135.072497317802,14752.474513992925,21263.039902578053,19255.007297262327,18853.808794027686,17928.806721046138,16449.85156600756,14970.896410968962,133.27777777777777,107.0,190.08333333333334,220.25,216.33333333333337,204.58333333333334,177.33333333333334,165.08333333333334,152.83333333333334,57.05351971999994,60.89013218367349,36.56861350000001,25.116885781249973,26.124074487179474,23.789486149122794,22.897778703703686,22.99195324242421,23.104962688888836,164.07463607415505,214.4693235627485,146.91668008639127,112.11552760652,116.65945447282884,112.06535234544081,108.41771664013251,108.10419244625432,107.72796341360056,7.246850719999998,7.417002040816329,7.304900212765969,7.183003812500022,7.199536717948736,7.193046491228089,7.120552592592609,7.132674545454557,7.147220888888896,1.202728419103361,1.6060415902040805,1.1999211332354343,0.964680388777685,0.9984857866585791,0.9737041789916996,0.9541122316365902,0.9497231531046041,0.9444562588662202,166.33954267641937,145.61372443505718,156.9412182339673,166.11749923889104,164.57271194241306,165.38428766690953,166.0074696393161,166.1601168283592,166.3432934552107,2.6655555555555552,2.183673469387755,2.022163120567376,1.720703125,1.8490028490028494,1.794590643274854,1.6419753086419755,1.6675084175084176,1.6981481481481482,0.3075174270131051,-0.1622493533620379,0.0407102992156627,-0.025907525805930115,0.003767449717914632,-0.015409107158307398,0.002381299066578823,1.1662486038558554E-4,2.7311042298302363E-6,1537.5490880000032,-19.92041856000167,-396.73066836000055,87.89394768000018,-112.83397288000059,-223.08917896000048,11.318260479999722,9.47192303999988,7.625585600000022,2434.164358322124,-154.51537631383832,-989.2082614924516,236.0561419384328,-157.99905990930154,-212.65913807402916,8.775099680999638,8.529060068721328,8.283020456443019,2.214149120000002,0.0526401024000005,0.8349841343999994,-0.20001342720000131,-0.2047681408000009,-0.3466366336000011,-0.04373841920000065,-0.05844725760000056,-0.07315609600000039,10.811375630900493,-1.045459502325324,-4.6195611708886055,1.1451418271843703,-0.6618192843372821,-0.48615568804997583,-0.03463987851399902,-0.03521125295783217,-0.035782627401664435,59.53942844581234,-6.280918617972045,-24.99680163895192,6.273547654079759,-3.605468982235417,-1.9645627996213006,-0.3418029704678205,-0.3509956687354887,-0.36018836700315515,41.702222222222126,0.5107111111111087,12.183155555555567,-1.3899111111111144,-1.7698666666666738,-7.5110666666666415,-1.0901333333333367,-1.4037333333333366,-1.7173333333333363,0.0061503485402621015,-0.0033112112931028147,4.330882895283266E-4,-2.0240254535882902E-4,3.22004249394413E-5,-1.3516760665181928E-4,2.20490654312854E-5,1.1780288927836924E-6,3.034560255366929E-8,30.750981760000062,-0.4065391542857484,-4.220539025106389,0.6866714662500014,-0.9643929305982957,-1.9569226224561447,0.10479870814814557,0.09567599030302909,0.08472872888888913,48.683287166442476,-3.153375026813027,-10.52349214353672,1.8441886088940063,-1.3504193154641158,-1.8654310357370978,0.08125092297221886,0.08615212190627604,0.09203356062714466,0.04428298240000004,0.0010742878040816428,0.008882809940425526,-0.0015626049000000103,-0.0017501550495726572,-0.0030406722245614128,-4.04985362962969E-4,-5.90376339393945E-4,-8.128455111111154E-4,0.21622751261800985,-0.021335908210720896,-0.0491442677754107,0.008946420524877893,-0.00565657507980583,-0.004264523579385753,-3.2073961587036133E-4,-3.556692217962846E-4,-3.975847489073826E-4,1.1907885689162467,-0.1281820126116744,-0.2659234216909779,0.04901209104749812,-0.030815974207140318,-0.017233007014221934,-0.003164842319146486,-0.0035454107953079668,-0.0040020929667017235,0.8340444444444425,0.010422675736961401,0.12960803782505922,-0.010858680555555581,-0.015127065527065588,-0.06588654970760212,-0.01009382716049386,-0.014179124579124612,-0.019081481481481515,-0.5383778287403701,0.07041686933564748,-0.03290911791971443,0.0052355447384237275,-0.02197722710623145,0.0035850107171886817,1.915385583551806E-4,4.933964694036038E-6,-0.013220363416642589,-0.13724891966201666,0.02233006645476284,-0.031361370447455066,-0.06363772830829258,0.003407979262778027,0.003111314983363604,0.002755317848066291,-0.06477325608749479,-0.21616231680408368,0.03788134935484,-0.027738868800029664,-0.038317688560335024,0.0016689695314622336,0.0017696447163013456,0.0018904549381082805,0.024259608225521003,0.20059195336458455,-0.0352868035374241,-0.03952206817878318,-0.06866457631727646,-0.009145394935345833,-0.013331901046347423,-0.018355708379549314,-0.098673420197055,-0.2272803640035834,0.041375033253435924,-0.02616029297714211,-0.019722391141406285,-0.0014833432248604914,-0.0016448842124203416,-0.0018387333974921158,-0.10764464486616178,-0.2233170762908805,0.04115935635165251,-0.02587862783666656,-0.014471928488451928,-0.0026577701548032603,-0.002977363814077166,-0.003360876205205836,0.012496547164107006,0.15539703991600978,-0.013019306858147776,-0.018137001724340643,-0.07899644934568108,-0.012102265326180986,-0.017000442450724955,-0.02287825500017772,1.6095423886565197,0.962030743544468,1.047609332406546,0.9766118697379071,0.884509353678343,0.7405817184109146,0.7900448231520499,0.846708734150962,1.2753494345671244,1.2335416087493074,0.9402642243478067,1.0145469289010138,1.036590145427899,0.9232587415603032,0.9292470982391426,0.93643312625375,1.5010127045772457,1.3788457920444286,0.9214810257524266,1.0203041875176906,1.0117273990889224,0.9606809225687007,0.9564632298816135,0.9514019986571088,0.729920123898429,0.7130197457311229,0.9967655486998079,0.9860563632949103,1.0368483332149736,0.7380700651206287,0.794564424464834,0.8623576556778804,1.5939622436510097,1.4140804365190498,0.9153583349892072,1.020556664597243,0.992787886509303,0.9623220235857929,0.9576567578940445,0.9520584390639464,1.6091703113363118,1.4131898407477683,0.9147929622371209,1.0200250593955789,0.9873371067490418,0.9588665897749586,0.9551437151225289,0.9506762655396135,0.5855003730150284,0.49340165895315546,0.8384095571778768,1.1611886062355024,1.250581959534884,0.7271202647814622,0.7872877770565095,0.8594887917865663,207.09027235376337,103.79513617688158,166.3581404508488,207.53471679820763,11.529706488789312,103.79513617688158,0.49999999999980105,0.13231267708454203,0.007350704282474557,-3.6406573050724265,192.6057130648242,10.700317392490232,9.469161291192563,207.10698417422952,103.80275766621342,166.36730796606585,207.55012298151604,11.530562387862002,103.80275766621342,0.4985311581973093,0.1321910432276151,0.007343946845978617,-3.642312789975574,192.41845777751894,10.689914320973275,9.467410442444613,222.14514048058382,110.67357576223384,174.79112879491612,221.43581696403615,12.30198983133534,110.67357576223384,-0.7979889561161428,0.022658170046562398,0.001258787224809022,-6.817022610543448,142.1555994939357,7.8975333052186505,8.922460011779503,207.1245241902162,103.81075689532697,166.37693025018473,207.56629272393863,11.531460706885479,103.81075689532697,0.4969896004377574,0.13206338208908003,0.007336854560504446,-3.6440519477358593,192.22296700525402,10.679053722514112,9.46558077253543,238.51450261022637,118.1749570407739,184.38220142185347,236.59042391806764,13.143912439892647,118.1749570407739,-2.16458852867855,0.0974096304633299,0.005411646136851661,-4.19189435609034,148.14600371650286,8.230333539805715,8.996756938342795,208.84368294254958,104.59497565715301,167.32228762470243,209.15147705077754,11.619526502820975,104.59497565715301,0.34626837175645164,0.11955318973047774,0.00664184387391543,-3.8231890277258573,177.0873432189656,9.838185734386977,9.317957535673534,215.54557557695122,107.91776532709576,175.43341029305537,216.33043007430558,12.018357226350307,107.91776532709576,1.1772817460315537,0.20209121505517968,0.01122728972528776,-2.8782650228835873,186.14388046250008,10.341326692361115,9.40773586599105,0,11.890000000000002,15.995922686620984,-0.31596299411712647,0.2615044384751001,4.193150994702391,7.61087991780574,17.0,49.0,48.0,48.0,16.0,1.0,1.0,0.0,0.0,1.0,37.85662399999999,3.577833950932081,3.5060715148240615,3.3749985856950446,3.197975484762799,3.0306956297768823,2.8669513236587667,2.6189320599642656,2.3363687182247515,1.9467646514703627,1.8714631273999556,1.7547028330475103,1.6574989114363203,1.5779091008695543,1.4063880286697572,1.2220185817790377,1.0475101887976717,3.57276665176467,3.48971011813396,3.3561410502620412,3.1940491855912443,3.0529492919427077,2.86958589075849,2.6223933064067984,2.3547503656215922,1.890470155196865,1.819552034429831,1.7139740280952376,1.6138698918143393,1.5042557636803773,1.3391900306098183,1.155049947690079,0.9768810281272506,3.700974832677839,3.635618822897357,3.5217657193991125,3.3767397887094956,3.235732884683652,3.0696337802945775,2.8548484999529857,2.6242935088631687,1.715269972127125,1.6312175304556271,1.5010741062192847,1.3650699350714142,1.2591655284614602,1.0731386283495208,0.8505917884634081,0.6269856982295633,3.5907047801838776,3.502248104301631,3.3629514500459083,3.202292435824959,3.078124542374784,2.888807134563411,2.640909958482731,2.379603844172709,1.8567757297693606,1.793445069752988,1.694606484429247,1.5801566154359261,1.4574021188325397,1.2988921359293086,1.1144809762288246,0.9285222203115856,3.753569524808488,3.6814180586292204,3.568859850751381,3.440597152671469,3.314224346340809,3.1434952467600272,2.9373961159683253,2.7255336450228,1.6620520148171045,1.5796229867385136,1.451007122842122,1.3067569168007624,1.1833279743320197,0.9999536298500125,0.7705138562848031,0.53224343721849,5.126246082133342,3.592490562038869,3.5105094943646096,3.4767560106851674,3.3317951014166693,3.119360772780188,2.8749510107765963,2.684558684594314,1.8173317637357933,1.7202356954373015,1.568632701501587,1.3842863577478581,1.3171855574884421,1.1478654178565884,0.925084510537021,0.7116600430114456,0,0,1,0,0,3,12,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.49279927982674443,0.348461712529338,0.08333333333333333,0.10059223176554563,0.07112944921610614,13.476845205801295,8.808060412490448,6.218055890644904,4.081951230073507,2.794149689323991,1.6466380477393472,1.075960582067952,0.6983190238696736,0.7487136225445163,0.5181212007347322,0.3657679935673473,0.2551219518795942,0.18627664595493273,0.126664465210719,0.08966338183899601,0.06348354762451579,12.508884736352847,7.964690378025045,5.090555075753104,3.2897794361340935,2.1667075510340497,1.3654269355176072,0.8771142976709483,0.5577134677588036,0.6949380409084915,0.4685111987073556,0.29944441622077084,0.20561121475838084,0.14444717006893665,0.10503284119366209,0.0730928581392457,0.05070122434170942,26.098843069407646,48.86671522214135,46.30588235294113,46.96000000000003,29.737350898203637,384.76112335329344,0.5219768613881529,0.977334304442827,0.9261176470588226,0.9392000000000006,0.5947470179640727,7.695222467065869,5.250600000000007,77.71100000000006,107.38442969444351,170.54844171624265,214.76885938888702,11.931603299382612,107.38442969444351,0.07648535385922606,0.004249186325512559,-4.627180816739374,153.95939061492282,8.553299478606824,9.066039966600632,411,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,13.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.975941014726292,-0.0338665287228872,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.4201284863902455,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.1197461933089325,0.0,15.604845987354329,0.0,0.0,0.0,0.0,0.0,0.0,-0.0338665287228872,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.081171558947428,4.894769455778863,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.894769455778863,-0.0338665287228872,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.21127551020408164,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8595343778336046,0.0,0.5107783564814814,0.0,0.0,0.0,0.0,0.0,0.0,-0.0338665287228872,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.081171558947428,4.894769455778863,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.081171558947428,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.260211815475328,0.0,1.4133912823772963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.081171558947428,4.894769455778863,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,35.66666666666667,1.9814814814814818,0.5559027777777779,11.081171558947428,0.14872638322167964,-0.0338665287228872,9.306041301964173,1.700533195389554,4.081171558947428,11.47230566040324,1.700533195389554,4.081171558947428,11.47230566040324,8.66666,0.48148,0.0,0.01852,0.47467,0.78519,0.42857,0.47467,0.78519,0.0461,0.0,-0.0461,0.0,0.61321,0.10108,0.0,0.15385,0.05769,0.0,10.75,0.59722,9.25,0.51389,1.5,0.08333,-7.75,-0.43056,0.0,0.0,20.99477,1.16638,24.69592,3.70115,0.20562,7.72862,0.42937,8.80805,1.07943,0.05997,0.10595,0.00589,0.10595,0.00589,0.0,17.02,2,2,2,2,0,0,0.9375,1.1238561897747248,1.642781233674519,2.720924277228158,3.3594580000808887,3.723215692534583,3.8840525721339114,56.19280948873624,82.13906168372594,136.0462138614079,167.97290000404445,186.16078462672917,194.20262860669558,0.19912913298727827,0.2910742546294559,0.4821037577388669,0.5952416020392933,0.6596935795919343,0.688191272338026,4.52,4.001074956100205,2.9229319125465665,2.2843981896938357,1.9206404972401412,1.759803617640813,0.19912913298727827,0.2910742546294559,0.4821037577388669,0.5952416020392933,0.6596935795919343,0.688191272338026,9.698823505695543,16.08572061729308,19.705869599367002,21.861448405471965,23.39035552655358,23.112763961162546,66.65750487792172,50.970892719640496,45.00413462582256,37.95286141458845,33.02171774858592,32.83133014455654,18.0,15.058823529411764,15.0,18,3,14,2.9999999999999996,2.437400000000002,0.0625,3.9791437913563845,0.32025630761017426,0.0,20.023111174838085,2.6489207832488644,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,8.347999999999999,17.0,16.0,15.0,13.0,12.0,11.0,10.0,9.0,8.0,146.0,2.9444389791664403,2.995732273553991,2.9444389791664403,2.8903717578961645,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,5.075173815233827,1.0890410958904109,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,0.8235294117647058,16.0,0.9411764705882353,2,8.0,16.0,1.0,1.5,0.666666666666667,0.375,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.08823529411764706,0.039215686274509824,0.0234375,0.010666666666666668,0.008547008547008548,0.006802721088435374,0.005681818181818182,0.004938271604938271,0.004444444444444445,0.004132231404958678,0.21422477434950682,107.38442969444351,170.54844171624265,214.76885938888702,11.931603299382612,107.38442969444351,0.07648535385922606,0.004249186325512559,-4.627180816739374,153.95939061492282,8.553299478606824,9.066039966600632,26.3,300.2362074149898,5.169925001442312,4.23410650459726,4.90527477843843,5.602118820879701,6.285998094508865,6.98933526597456,7.6783263565068856,8.384575666801398,9.076237387452702,9.784197131344804,97.94017000650462,3.5553480614894135,0.0,4.634728988229636,0.0,5.849324779946859,0.0,7.1284959456800365,0.0,8.443546651247939,8.762646029650282,256.240230264,5.12480460528,34.651579701566604,1.9250877611981447,5.316421244196084,5.316421244196084,0.0,930.0,16.0,7.175999999999998,68.0,1.242285714285714,2.1416781238955966,2.865929781558616,3.639325290980937,4.931812911856081,5.926146027087162,7.24175301249658,8.34814191391876,9.644985765621408,10.788306305309577,87.01733398057144,86.56284591789853,85.259214341922,119.19192217087198,137.60623112149756,160.58250470177538,189.1819912718175,218.22056910667305,247.73101881478794,277.97541797019534,291.95782745556033,335.37204054009084,354.25992605100123,496.4366254967223,608.5472999165569,717.21460331199,846.9510501822461,973.9038275560041,1100.8411765146573,1223.8728526655793,9.26099327085715,15.71507934634074,20.645129913557525,26.364049923091915,35.59610157079377,42.415772863607785,51.83271747416099,59.887884258415106,69.30180803008007,77.76426459047143,2.1300732584685704,2.6900032086752272,2.951218089252257,4.090718994942243,5.14102635030916,6.1254543242826225,7.269684745102639,8.351222296755735,9.452323458066841,10.484452096445288,178.79073998960789,332.8732115162944,472.2335296824532,584.2761932252043,806.224371083157,968.7752316914564,1191.7480784043937,1373.8350734749074,1594.3168103569228,1785.5846434215032,2.7882976190476194,4.481262931137949,5.033507956949685,6.952212049121806,9.017208923438163,10.040882353673048,12.340835087053527,14.492702046707015,17.026878091637208,19.55399602136286,0.45772714285714267,0.5939237090839802,0.6563732640355251,0.9047560583919151,1.1411877018117202,1.3516824962305203,1.612291739014769,1.8597258336128784,2.1176596954529416,2.3640680302909853,689.5727152290297,873.3012359508771,21.1090531703328,216.9589858867645,-274.765149985134,-21.277062113292885,472.6137293422652,1148.066385936011,42.386115283625685,0.760671374625153,0.9633432949735614,0.023285510197107236,0.23932862537484678,-0.30309491620308743,-0.023470841766597077,625.1195265796094,791.6752550130742,19.136025879445544,196.68019854828626,-249.0833188233599,-19.288331312309815,0.2064375828022703,0.24943393269763425,1.402311655367427,2.514672704133764,860.1816493961273,46.35005171966695,0.9488710084130344,0.051128991586965475,1206.8002820907645,34.739031104663304,10.646621165322589,1516.785436707969,38.94592965520234,11.489683089282352,2136.5411618936214,46.22273425375896,12.879640905923878,4.2975939598518895,4.2975939598518895,9573.996786490046,9483.199950399878,140.81856319993585,1.0095744934795285,67.98817264522698,67.34339376077513,7.572644852478052,10.582349022805118,20.842234510276445,0.96952817048097,8.938043767523306,13.778201457750654,6.203411349208494,60.92963649171252,25.168470310102567,1.753371953524315,11.990383621541676,9.558586372336723,44.89460366920687,1.7144302146882588,4.078134656700807,40.01694715448712,3.995793474430016,43.2587221281389,3.3598262629238063,7.135674946478581,20.89969978687173,3.005314470223355,33.19330202092264,3.1703208279438466,9.19466918777988,12.94616011991997,3.61907392240727,19.252833831678707,3.4708866751612715,11.408035809537749,6.82634151808719,3.508541867385692,4.097087965667654,4.0062275480084555,0.7666155979445981,13.928745535850325,0.5076564097557409,13.513379953094038,0.3380689005692757,1.6750866667822817,1.780654231541141,0.5472107427649029,12.093758988626789,0.03880717421676914,2.729307756312023,3.518313381040103,0.3141679779513671,9.599549226343013,0.0735294275944908,2.9121949630247648,0.9723256964467387,0.3684502480958891,6.471545183832193,0.10613428844071292,3.0169974799480146,0.44924263723244173,0.49057874306303595,3.5591826247003953,0.14984591059763408,2.952374362805007,0.23641766436825207,0.651587704233626,1.194526993258666,0.19658232477472354,2.427311163608254,13.647691952600123,1.40132046046321,16.660737478585197,2.0360056680661924,1.5285311642067168,3.482620219775879,1.455471741909524,15.594488310012046,0.19450993056388902,2.486512846976683,9.162034524427375,0.6687450797297217,14.422030446054467,0.37470734578786086,3.055727535262626,3.2526884679676344,0.6034013478042619,10.534785808996887,0.4479958586374106,3.607484914402525,1.663142606179183,0.7592776580184536,5.938557756175967,0.5769198362920954,3.7885087495668026,0.9474630052277251,0.9308964312887041,1.7251554144965706,0.7265961873975532,8.441899314843733,13.9287192874722,6.318932243283416,57.34071945708704,22.976833037764294,1.8314976334481663,11.633899932097897,9.220485328326943,43.23963914123168,1.545933229882334,4.1349595383899675,37.50936252024613,3.6313625796601743,41.20127757765319,3.0278803288657676,7.091228422971248,19.608618602772925,2.7375446928971288,31.412789775289948,2.882403742206242,9.229548869859357,12.160896464732012,3.2985783090221883,18.17211027952169,3.178842673281006,11.428450947222004,6.282585639504149,3.2298145036377526,3.9837776045421545,3.685405478040268,3.5698283074650154,13.540927001667814,1.952894902089261,20.47243721256623,4.0703015574722965,1.4834202044627787,4.6957219679988995,2.2178481511194597,18.725091952579703,0.3567195217084536,2.4898353178428967,13.590544928170766,1.0298004537264174,18.25515733273666,0.6912059557914424,3.3796389465294037,5.215025924529893,0.854783027538778,13.6997768409241,0.7668810754773006,4.195250842566584,2.7791283970717973,1.0536206137512454,7.798757511211841,0.9445667325975046,4.566135682868555,1.602590705514851,1.2129108195740241,2.098924573920279,1.1639563884235382,10.794005313129167,13.873866971939721,8.098562330537538,82.67816994237135,36.69943299155814,1.8668594719480034,14.890617958045478,13.334290374346944,57.38821173234178,2.4131419922555457,4.853791397614608,50.91116553458195,5.509256782924023,54.075499455034205,4.737342164733008,8.776157960666698,28.57637570084091,4.120888466237462,41.461975916515385,4.3502651355359685,11.153706248600999,18.181116814025984,4.959018643017722,24.133674357346973,4.652942987878925,14.272865480619874,9.426770244034037,4.672086628274677,4.816640904744978,5.293548582408049,5.811551914550458,13.775144630956397,4.959550287364515,41.13751873880217,12.72221351185944,2.1576063318610674,9.057598580586818,8.223198274822597,35.473827997097374,0.7632322696927663,4.038413555125101,25.2703674740334,1.967975945475438,31.19735368955859,1.4891013142658818,6.2404948211219775,14.047857864427462,1.5626427774636948,22.74472078829912,1.5017222021917414,8.155344056524386,9.002512390245247,1.922155838912584,13.183574082736396,1.7325490447716014,9.652822556311198,3.7813142011078575,2.064431085265788,3.949672011267386,2.06187290837351,38.37635051771729,0.8279202877518888,0.49633344599999984,0.9666439904701732,0.020854097900065347,0.5381384984085696,0.6291444742182655,0.5999892028819996,39.70060425146918,51.230949990291556,106.70133801961751,0.9499659857052598,1.7672721755088348,37.574619149213454,0.4570093488378788,0.0975517906578795,0.9854557287805116,0.011985816253521927,0.5160925750890538,0.1881398243773298,0.023177513529842597,38.129180288709215,20.88200569183348,60.68634066969157,0.9781835931707673,0.7274099129962261,37.29826569803192,0.5652945195136443,0.25760458066710634,0.9784135898119427,0.014828888952001499,0.5083553689551118,0.2931079019870321,0.1616231305053681,38.12116479821267,30.838331738865744,74.39096165421017,0.967620384717914,0.963086401447512,38.52168685719405,0.8253523874210535,0.47936339018093954,0.967239929009755,0.020723749392819853,0.5422335755174222,0.6253185817707985,0.5596623324912446,39.82640263479605,50.6554963409525,105.72276240790339,0.9508598935146324,1.7272144897794655,37.34491018840824,0.6272810299732914,0.33320831410176555,0.9749254842450983,0.016375786119691867,0.5096020715762679,0.3611943878657755,0.27041327647818325,38.3053995324833,36.078403545871566,82.18945898437326,0.9623882263676475,1.1412097359202267,38.575831347271574,0.8646606944941021,0.5252004335935917,0.9652236445310034,0.021635073507789364,0.5437477750716572,0.6862321292635162,0.6718100613984562,39.96569247535927,54.069168644899136,111.55292427359464,0.9478354667965052,1.9017899657336295,38.560385853817365,0.8334868095292165,0.4821491450460014,0.9670068403288333,0.02090195490247713,0.5433309311492408,0.6375493109321486,0.5661860357768559,39.876021808392586,51.133295004197365,106.50538444680609,0.9505102604932499,1.747066277858245 +UMLCN0143,L,butyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCCCC,Esters,,C20H40O2,NREL (2014),Blend (5%-7%),PubChem,,89,0,-4.2620999999999984,18.165496409999985,71.02449999999999,63.475719999999946,0,0,62,22,40,0,20,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3437.860981999997,3657.529665000003,4212.283817000012,4045.8682599999993,3877.301258999999,3636.664565999998,3450.030173,3105.5148790000003,2866.473558,10146.469366152547,13120.957392536151,17464.356374770086,18289.916499526513,17322.810438098648,16404.07650707203,15662.752863231239,14789.046857290516,13722.710087044574,446.2523119999996,450.53622000000036,857.5786520000011,1171.1039200000032,1100.287500000003,1037.2627680000032,968.1155960000027,945.7771000000023,894.7894800000026,74.84892419395989,98.7599923999999,143.5433471035271,158.6944215251285,148.96397701833627,140.81323183494004,134.86589475784587,129.0453341238457,121.08717873554363,10303.49577437496,8867.230303381,18449.283309856288,27173.347766074115,25325.090556330844,23851.648157950516,22212.917607339485,21811.71910410484,20886.7170311233,150.27777777777777,128.0,226.08333333333331,271.16666666666663,269.91666666666663,254.74999999999997,240.83333333333334,229.08333333333334,201.83333333333334,55.4493706774193,59.95950270491809,35.69732048305095,24.669928414634143,25.34183829411764,25.254615041666653,25.55577905925926,23.526627871212124,22.749790142857144,163.65273171213786,215.0976621727238,148.00302012517022,111.52388109467385,113.22098325554671,113.91719796577799,116.02039157949066,112.0382337673524,108.91039751622678,7.197617935483865,7.385839672131153,7.267615694915263,7.140877560975629,7.191421568627471,7.203213666666689,7.171226637037057,7.164978030303048,7.10150380952383,1.2072407128058047,1.6190162688524574,1.2164690432502299,0.9676489117385884,0.9736207648257272,0.977869665520417,0.9990066278358953,0.9776161676048916,0.9610093550439971,166.18541571572516,145.3644312029672,156.34985855810413,165.69114491508606,165.52346768843688,165.63644554132304,164.54013042473693,165.24029624321847,165.76759548510555,2.4238351254480284,2.098360655737705,1.915960451977401,1.6534552845528454,1.7641612200435728,1.769097222222222,1.7839506172839508,1.735479797979798,1.6018518518518519,0.3252710142039978,-0.16298776839977033,0.022030525625976263,-0.008530352727623366,-0.007433513899515859,-0.015480351620777072,0.021186342505819203,-0.01640155627212276,0.0020468864724802493,1862.3770877419324,-20.785182068673123,-563.103316121741,133.46423965036615,-21.181161040580786,-66.26191681997722,-107.96144672840583,-220.89518893444213,8.07093265348649,3034.7686862162686,-155.33385656032033,-1293.0853358769994,146.8104912525751,0.10761740047951207,88.01201597235575,-156.64651240870728,-212.7183926093528,6.935879777338414,2.293207741935486,0.05870954422475288,0.8200721040582603,-0.020798285119663244,-0.2227336857440212,-0.3721317877211307,-0.17890976066597405,-0.32267893444328954,-0.04369108844952405,13.495788104953514,-1.0420359085323285,-5.946997236673607,0.2822636598005448,-0.02193482879453268,0.848477245720147,-0.6640026210128496,-0.4836311243847776,-0.02826239520546836,74.12774690346961,-6.246693019589881,-32.143702175389286,0.8462692507805811,-0.2660050029584431,5.240773053400522,-3.619740398946419,-1.9343736023739238,-0.2809087264929806,42.706093189964015,0.6914961267198529,11.06743554168113,-0.14909238062202868,-3.360735345126594,-5.164151925078031,-1.1073534512660386,-6.86619840443981,-1.058619493583068,0.0052463066807096415,-0.0026719306295044315,1.8669936971166324E-4,-5.201434590014247E-5,-4.858505816677032E-5,-1.0750244181095189E-4,1.569358704134756E-4,-1.242542141827482E-4,1.6245130733970234E-5,30.03834012486988,-0.34074068965037907,-4.772062001031704,0.8138063393315009,-0.13843896104954762,-0.46015220013873065,-0.7997144202104136,-1.673448401018501,0.06405502105941659,48.94788203574627,-2.546456664923284,-10.958350304042368,0.8951859222717994,7.03381702480471E-4,0.6111945553635816,-1.1603445363607947,-1.6115029743132787,0.055046664899511225,0.036987221644120744,9.6245154466808E-4,0.0069497635937140695,-1.268188117052637E-4,-0.001455775723817132,-0.0025842485258411856,-0.0013252574864146226,-0.002444537382146133,-3.4675467023431787E-4,0.2176740016927986,-0.017082555877579154,-0.05039828166672548,0.0017211198768325902,-1.4336489408191293E-4,0.005892203095278799,-0.004918537933428516,-0.0036638721544301335,-2.243047238529235E-4,1.1956088210237035,-0.10240480359983412,-0.272404255723638,0.005160178358418178,-0.0017385947905780594,0.036394257315281404,-0.02681289184404755,-0.014654345472529725,-0.0022294343372458777,0.688807954676839,0.01133600207737464,0.09379182662441636,-9.090998818416382E-4,-0.02196559049102349,-0.03586216614637521,-0.008202618157526211,-0.05201665457908947,-0.008401742012564032,-0.5092974528784149,0.0355868196569876,-0.009914469181032847,-0.009260811676415086,-0.020491070833931993,0.02991359063901458,-0.023684130902911864,0.0030964889631219265,-0.011343525915011095,-0.158865702338883,0.027092253964383334,-0.004608742043470264,-0.015318829143883127,-0.0266231228784942,-0.05571041522474105,0.0021324420987690663,-0.052023837580216975,-0.22387792583220592,0.01828855274305948,1.4370013026647337E-5,0.012486639461074757,-0.023705714897192157,-0.03292283357912014,0.0011245974822630949,0.02602119061357141,0.1878963405411328,-0.0034287195974186404,-0.039358882854844894,-0.06986868466915415,-0.035830144236456245,-0.0660914032869701,-0.009374985598287991,-0.07847770401946125,-0.23153101093741146,0.007906869279049647,-6.586220355531597E-4,0.027068933586264533,-0.02259589062165543,-0.016831923545931424,-0.001030461709292609,-0.08565075951192225,-0.22783727497962103,0.00431594202692477,-0.0014541501869227101,0.030439937105950703,-0.02242614086862443,-0.01225680608477143,-0.0018646854205516758,0.016457420388957377,0.13616542315981198,-0.0013198161775993882,-0.031889281100606424,-0.0520640998741083,-0.011908425420804773,-0.07551691908594987,-0.01219751014127848,1.6077343880105124,0.9963871874212952,1.0001898503030304,1.142211426227964,1.2072052041216086,1.0117253026189341,0.9385496028806987,0.7872434579726321,1.3129330317120114,1.278777234962607,0.9389121385922984,1.0026902645732614,1.0202645454576875,1.0211823954565526,1.0402588816127358,0.9392242831761468,1.5006815185989322,1.403569784654188,0.9496747227550614,0.9697626373431988,0.9552309922703722,1.0170359535090587,1.0095996402391065,0.9658799814099978,0.7461234186118205,0.725492810088535,0.9431893297836165,1.1988387376494145,1.2908346806970656,1.0458825735476203,1.09544161701176,0.7804374240192544,1.5752041697496122,1.4318096528602324,0.9583817647114821,0.968361476500239,0.9383714844006331,1.0168595110325418,0.9929217488974119,0.9670142544733544,1.587485608000071,1.430651055995984,0.9610273381061124,0.9713157779808848,0.9380372236157178,1.0172315341819544,0.9889425576689842,0.9646226770842556,0.5951531682752852,0.5141181888660514,0.8114405391850839,1.1918622925460614,1.2729664988110265,1.2339509022240913,1.3237649258001798,0.768975680914416,310.53880578501537,155.51940289250751,247.66528373312855,310.99335123956064,14.136061419980027,155.51940289250751,0.49999999999968736,0.13678622895502274,0.006217555861591942,-4.376539077667375,285.23462452665,12.965210205756819,12.437286588193214,310.56396161779145,155.53124638799426,247.68094226551375,311.01717176160696,14.137144170982133,155.53124638799426,0.4985311581970677,0.13664411017212413,0.006211095916914733,-4.37882603200851,285.8182973701398,12.99174078955181,12.44178382707807,333.00087876320663,166.10144490354514,262.0054999836208,332.2754342576463,15.103428829893014,166.10144490354514,-0.7979889561163418,0.010933901422461811,4.969955192028096E-4,-9.934951607324663,202.70916738716784,9.214053063053084,11.68589901339297,310.5903635042017,155.54367655231982,247.6973773676683,311.0421722318727,14.138280555994214,155.54367655231982,0.49698960043795637,0.13649495388736693,0.006204316085789406,-4.381228792376851,286.43740704126395,13.01988213823927,12.446544083017422,357.0749622668793,177.45518686910032,278.1909152488911,355.1071545135351,16.14123429606978,177.45518686910032,-2.1645885286786495,0.1198792564751443,0.005449057112506559,-4.666794525350354,246.26628028992806,11.193921831360367,12.114109459582549,313.1751448026863,156.7607065872213,249.3111173558866,313.4899342315556,14.249542465070709,156.7607065872213,0.34626837175630953,0.12190318683276058,0.005541053946943663,-4.629961819621453,434.02634618658107,19.72847028120823,13.360831523065258,318.42465892859747,159.33871637571792,256.2797202016723,319.2811668651055,14.51278031205025,159.33871637571792,1.1776984126985326,0.21451756391472965,0.009750798359760438,-3.3866000540106835,194.05340167752834,8.820609167160379,11.589893452639705,0,11.89,15.995924706363358,-0.31569229308065827,0.2615247171505355,4.31115555020943,7.630330672248961,21.0,61.0,60.0,60.0,20.0,1.0,1.0,0.0,0.0,1.0,46.602279999999986,3.585615266786442,3.5258234124272354,3.4290547602312684,3.326114618916643,3.223542982403707,3.0479747320122685,2.840536763786731,2.691408715569471,1.9521814867090055,1.8927339601560504,1.8238340623147549,1.788779816065727,1.6658668412199709,1.5200780553757802,1.4069720126830985,1.3347922979128735,3.5787967725814456,3.514939429407115,3.4256028495653816,3.353206743809966,3.224731140765844,3.043652559303384,2.8487980697282658,2.7133029515277585,1.8956523677776898,1.8408239463971459,1.7797009922278872,1.7239720935954075,1.6085146797441634,1.4693136442700516,1.3485715681106507,1.2495598067330729,3.7063728062273413,3.6584450362210506,3.580315149394855,3.4974226993182302,3.387086096686746,3.230851316766785,3.0609888946562367,2.9336796278155757,1.721360108565096,1.6555743939930485,1.572196142420545,1.5218553228155853,1.3893931145363232,1.2208993255823724,1.0609533508191984,0.9593187341795674,3.597094195562279,3.5280758055624677,3.434752971796814,3.3757754684800934,3.239909431059693,3.0558420130060817,2.865359441378526,2.7432534740783128,1.861735524994962,1.8149215709479503,1.7524568864063497,1.682524482111519,1.5751089473858262,1.439091897164121,1.305444985356176,1.1955877459602273,3.758967945860133,3.70431537658039,3.6331296216306654,3.564120246228809,3.446843354978164,3.2941642195222096,3.1413458489506563,3.025918337905688,1.6680455948856359,1.6041537312734724,1.5209565591200993,1.4589188411003977,1.3298190953131819,1.159002781717967,0.9866158028447354,0.8691401615394475,5.1617513123119965,3.607571417164174,3.5643878341611535,3.5286124924345823,3.406238904839728,3.248879333915584,3.1787941622418523,3.0161108228287197,1.816546586723239,1.7405851721131744,1.6259874223047757,1.6024200282585084,1.4598347697504162,1.2778262624769448,1.095766973195001,1.0450230250948622,0,0,1,0,0,3,16,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.08333333333333333,0.08838834764831845,0.08333333333333333,16.30527233054749,10.808060412490448,7.632269453018,5.1009536313038994,3.397703079917265,2.245099760268685,1.541412411959402,0.9253810964856393,0.7411487422976131,0.5146695434519261,0.36344140252466667,0.255047681565195,0.1788264778903824,0.12472776445937139,0.09067131835055306,0.061692073099042614,15.337311861099039,9.964690378025045,6.566664258170045,4.245394899343333,2.6896151051739587,1.7469517906830128,1.155522559165728,0.7337445040667865,0.6971505391408654,0.47450906562024026,0.31269829800809734,0.21226974496716666,0.14155868974599783,0.09705287726016737,0.06797191524504283,0.0489163002711191,32.266154284551135,60.41806263656237,57.20784313725481,58.000000000000064,36.931568862275505,476.87414371257495,0.5204218432992118,0.9744848812348769,0.9227071473750776,0.935483870967743,0.5956704655205727,7.691518446977016,6.811000000000009,96.17900000000007,160.48726549672037,254.01365767014158,320.9745309934408,14.589751408792761,160.48726549672037,0.07920022945615557,0.003600010429825253,-5.578707382583,253.45853671523543,11.520842577965247,12.177440542079562,631,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,17.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.54754783331157,-0.0032194434999093247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.4184675603776835,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.384620303002999,0.0,20.737717973852003,0.0,0.0,0.0,0.0,0.0,0.0,-0.0032194434999093247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.396997788336243,5.150550044975326,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.150550044975326,-0.0032194434999093247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2087620296280277,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1114111760003516,0.0,0.6049382716049383,0.0,0.0,0.0,0.0,0.0,0.0,-0.0032194434999093247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.396997788336243,5.150550044975326,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.396997788336243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2732091270026475,0.0,1.432733790561512,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.396997788336243,5.150550044975326,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,41.66666666666667,1.8939393939393943,0.5559027777777779,11.396997788336243,0.0388599256092228,-0.0032194434999093247,11.890189975827449,1.669886110166576,4.396997788336243,12.864336272629135,1.669886110166576,4.396997788336243,12.864336272629135,10.66666,0.48485,0.0,0.01515,0.46667,0.7697,0.42941,0.46667,0.7697,0.03726,0.0,-0.03726,0.0,0.62992,0.08437,0.0,0.125,0.04688,0.0,12.75,0.57955,11.25,0.51136,1.5,0.06818,-9.75,-0.44318,0.0,0.0,27.98866,1.27221,32.09989,4.11123,0.18687,9.75049,0.4432,10.80805,1.05757,0.04807,0.10595,0.00482,0.10595,0.00482,0.0,21.02,2,2,2,2,0,0,0.95,1.0942658959797504,1.5432207824897417,2.586934363974089,3.32675303410475,3.7370185364751283,4.061954675873811,67.84448555074452,95.67968851436399,160.3899305663935,206.2586881144945,231.69514926145794,251.8411899041763,0.18378062108413254,0.2591820460802829,0.4344724676714601,0.5587241099695273,0.6276277001408297,0.6822003279918536,4.859930414407126,4.4109755278971345,3.367261946412787,2.6274432762821256,2.2171777739117475,1.8922416345130646,0.18378062108413254,0.2591820460802829,0.4344724676714601,0.5587241099695273,0.6276277001408297,0.6822003279918536,9.285756372440845,14.80208322410913,19.14268278679355,21.44306905030924,23.43052516365274,23.89925896864478,82.05817974081342,66.0779878347168,55.26443145674423,47.700900897111424,40.6374012602224,36.7809905384374,22.0,19.047619047619047,19.0,22,3,16,3.44,3.000999999999998,0.04999999999999999,4.312659319286892,0.23094010767585027,0.0,27.03522048393786,3.2041039129394915,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,10.344,21.0,20.0,19.0,18.0,17.0,15.0,14.0,13.0,12.0,192.0,3.1354942159291497,3.1780538303479458,3.1354942159291497,3.091042453358316,3.044522437723423,2.995732273553991,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,5.337538079701318,1.078125,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.0,0.8571428571428571,20.0,0.9523809523809523,2,10.0,20.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.16666666666666669,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.07142857142857142,0.03174603174603176,0.01875,0.012631578947368426,0.00925925925925926,0.004801920768307323,0.004166666666666667,0.0035273368606701934,0.0030769230769230774,0.0027548209366391185,0.180800499378883,160.48726549672037,254.01365767014158,320.9745309934408,14.589751408792761,160.48726549672037,0.07920022945615557,0.003600010429825253,-5.578707382583,253.45853671523543,11.520842577965247,12.177440542079562,26.3,369.4201459184577,5.459431618637297,4.442651256490317,5.117993812416755,5.814130531825066,6.502790045915623,7.205635176410364,7.89989532313973,8.606485298894999,9.303921785597714,10.01301437706337,107.90651760775393,3.7612001156935624,0.0,4.844187086458591,0.0,6.056784013228625,0.0,7.3310603052186325,0.0,8.641709066113805,8.962519832949532,312.3028305200011,5.037142427741953,42.649078968923064,1.938594498587412,5.452187707272322,5.452187707272322,0.0,1696.0,20.0,9.241,84.0,1.2437377049180325,2.145595085002603,2.8685514716288045,3.629693220273733,4.9408478388504555,5.956746915946717,7.239719335260084,8.32419166650209,9.623388959137507,10.76654499208519,86.07390002839344,84.73637570823605,84.42622689584381,116.21177777953683,145.68195186640457,178.24259188674594,193.32940697088432,215.11266307654037,243.6812873087738,272.476966740675,293.5674318515158,338.4670888315972,352.7781275369982,482.1439493620634,620.3660793779865,768.3075206985201,876.5144681942282,983.8502873707961,1115.0222920178223,1244.0860073475951,9.231162115934433,15.658138941391206,20.54964844491377,26.307275569581645,35.73434568860056,42.903297226614946,52.0243403015041,59.33929587673378,68.62063565638854,76.89204503565085,2.152107655757377,2.732329805148173,2.959073843543759,3.980745261751375,5.177487287628922,6.438160667582017,7.480209093800996,8.485902545728054,9.642953946245424,10.75319879373406,178.63246953486433,332.20875874296235,471.4686489775375,586.4341577403877,809.0102540526196,964.8483788482833,1184.638747423374,1364.6035530052498,1583.680965622826,1772.2432927511645,2.683435792349726,4.242098378838297,4.85357231750387,6.679921201184413,8.944174254344292,10.889324461933496,12.77119750688854,13.656607453035914,15.88107029449524,18.007271258236475,0.4588908196721308,0.5973197264688933,0.6552232658322896,0.8849057399094219,1.1519587782352523,1.4216074543750556,1.653445648131665,1.8658552350929551,2.1274103224909817,2.3792650879684127,814.6480272485426,1205.5884608863553,23.61681850147294,230.91274599430352,-341.725177906042,-22.16874303790087,583.735281254239,1547.3136387923973,45.785561539373816,0.7791493790665853,1.1530544103593108,0.022587705187355568,0.2208506209334144,-0.32683435210195233,-0.02120273025272713,851.7640212907456,1260.5160033769907,24.69281901393601,241.43330925343295,-357.2944412479905,-23.1787681125296,0.17666834306481868,0.213265621197935,0.8667330586122605,2.0407170878481464,1001.6102601745141,43.950513068332114,0.9579646499820206,0.042035350017979284,1455.1265586753645,38.14612114849116,11.331835354131787,1842.6080019468707,42.9256100940554,12.2596381223801,2625.988569837082,51.24440037542719,13.796352340266687,4.728623827235665,4.728623827235665,17366.56086591249,17259.462261756646,170.43726360764413,1.0062052109464124,101.89415447252931,101.26577895247642,8.640712282338034,13.061375644960512,25.79786246717121,0.9751259873706208,11.169248195011793,17.57227068859046,7.392765169255888,80.04734902792086,29.798455105348946,1.7336021938405626,16.580912586890932,14.321094822860394,59.393848543177526,2.8327576984798175,7.079005340802809,53.10254722815758,6.967104990668621,56.67465600736542,3.049232179374445,13.537923993395422,27.23178790117822,4.7444524356475,47.178535275301,2.9262065455878727,19.19190163966888,17.908101914883378,6.114945753158269,33.6449978328034,3.2930264294117255,22.76178301472674,10.775571640043713,7.105925672534574,18.06461815020915,4.121724786218199,0.9538651244591699,17.722646345276782,0.5961469070125602,17.64576053354939,0.29060198991358166,1.6893133979330668,2.389412794385753,0.7248725372830263,15.98236537356188,0.24070719369703603,4.7691913568226445,5.058831724329826,0.7885667220343251,11.9119276061213,0.07070779853229156,4.755749297565829,1.1676708852567663,0.735457435623801,8.696599307941966,0.10150732846092601,4.691758082578836,0.5165288138518892,1.013587607642239,5.566006119047582,0.14164939356466,4.36536031911355,0.2727490242788142,1.36812415088472,2.9157972387639166,0.18867685550218166,3.03177546098381,17.44160433126061,1.6944480196500002,21.873869905888835,2.2872513878886713,1.5167728385158479,4.705461264707897,2.1245117114319085,20.028909008140815,0.48769284213256303,4.742763719400099,11.92974543177482,1.3778831365210085,18.312310005009543,0.35028238836629483,5.723870525421153,4.09879095108598,1.1063557983641616,14.542438584652981,0.42260885115451347,6.684706623115146,2.1086101335480634,1.5055111244248207,9.75680696169907,0.5460252552737289,6.751390900341081,1.2585913293182962,1.9956150850141103,5.146715199886224,0.7126698721896653,10.547974287914009,17.72277013854609,7.433772583172819,75.00697374482726,26.816364903637254,1.815683311498317,16.600524842229262,13.642706272804341,57.750456043316944,3.241474641507515,7.084148673676169,50.0933947302788,7.043717368636295,53.69386605828721,2.7507099803315893,13.176920047518355,25.352093527267417,4.341692002587048,44.45947910176282,2.66290019051097,18.612452820727516,16.603529240274,5.610179232318224,31.552512726135824,3.0155909450561644,22.004097904176458,9.806929220840013,6.565980320081805,16.918787548440307,3.7823070376116275,4.460697465443237,17.33485409475866,2.392464025852458,26.972788711573145,4.790366642766328,1.4599227315152272,6.224145482172099,3.3314267944650706,23.870918126940513,0.5718415700913427,4.888614973900548,17.48119177481922,1.806474658340128,23.433067632501984,0.6397120408611826,6.64529141979415,6.686564341928263,1.4938573452957709,19.114596381382306,0.7188922235213657,8.323205484317631,3.6685702236537994,2.006381739144303,13.073292687362496,0.8945472143046581,8.7352648362988,2.257917985545933,2.5878650886010743,6.925048088751363,1.155163837200101,13.488507788954626,17.668013416668668,9.571795879626112,108.62074034336825,43.44245377483307,1.8607915386332143,20.901323232600255,19.921915584602267,76.52253763436231,4.074913752606934,8.037898010360175,68.19975192891604,9.695052899044605,71.1867480808256,4.286438125794017,16.393029430176927,37.32959521174912,6.417731150149082,59.170412177067305,4.003731498100827,23.544550328447563,25.315235539026336,8.209254974367482,42.55981149268284,4.416200411164085,28.700060766514166,15.159605543235848,9.332989070445091,22.928241699941427,5.4904335354499345,7.299025798265188,17.549425367421943,5.773403745532039,52.61917278934705,14.06429541950499,1.9650820661156936,13.580469855744917,11.164592561718422,52.84705992630684,3.2036727440186197,6.78012260397076,37.936686350888806,8.337337972035854,39.56178694732055,1.3875038351794653,10.56862095223701,17.315415761489785,2.562257867419651,31.349685791050973,1.4216489160870491,14.370904092223805,11.29932940718894,3.386893984576952,21.64462000020339,1.6732889851091022,16.40479172283267,5.500697061694945,4.172503992121518,11.751457308354537,2.124851470837826,59.24968221735895,0.839217766009242,0.5068296822580646,0.9777864305670558,0.013849453924230894,0.5489630252270743,0.6439669798809193,0.6128942301026941,60.59572966562626,80.17822403301662,165.9752415990622,0.9666796458505837,1.8058242352106877,55.60406445546727,0.4489591442332852,0.10134712522125325,0.9902001168858204,0.007995088154981908,0.48358623685196456,0.18217349961477172,0.02450667090133373,56.154370724921804,30.64476599560773,89.32916161088102,0.9853001753287306,0.69026640736807,57.20343454076202,0.5687441565057932,0.2638382853902354,0.9856540389023455,0.00979984819901996,0.5117176670479588,0.2956457735685044,0.1660875513585638,58.03601698265805,47.77663169786547,114.39639488770455,0.9784810583535182,0.973450991975027,59.06444657337794,0.8355026590987293,0.4909320663114491,0.9780358442055589,0.013834914164690217,0.5455438264518431,0.6383186455446862,0.5750482024989964,60.39088129878812,78.75530801890278,163.37295145750778,0.9670537663083383,1.7589106744955258,57.910258209262324,0.6348483148081066,0.3397273680462567,0.9834494619677472,0.010781185457213254,0.524425275189343,0.36853738579202955,0.2753737377691864,58.88483389211669,56.65360478566269,128.02825371761764,0.9751741929516209,1.1683363987505588,59.4841574405761,0.8766412897262477,0.5365654064205855,0.9767936311172025,0.014395389720942071,0.553316689013568,0.702684393402611,0.6869209928958314,60.897364136722935,84.53378499958164,173.41103288570673,0.9651904466758039,1.9429220753120107,59.17828234875692,0.8433716579873405,0.49367945852701295,0.9779055812807895,0.013936495259855705,0.5476525594244663,0.6503291439067982,0.5815024710048766,60.515333465271276,79.54074375125931,164.6952665544971,0.9668583719211844,1.7794841743361411 +UMLCN0144,L,n-butyl octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OCCCC,Esters,,C22H44O2,NREL (2014),Other Ignition Delay Method,PubChem,,86,0,-4.838100000000001,23.407211610000008,76.8477,69.66289199999994,0,0,68,24,44,0,22,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3730.453479999997,3994.4862590000043,4599.700891000013,4439.381718000033,4270.81471700003,4030.1780239999994,3843.5436310000005,3499.028337,3259.9870160000005,11117.83814737493,14426.937661516888,19291.450598094754,20303.51318943674,19336.407128008832,18417.67319698217,17676.349553141423,16802.64354720075,15736.306776954832,488.2071999999995,494.08778000000046,943.0376680000008,1296.8737200000032,1226.0573000000031,1163.0325680000033,1093.8853960000029,1071.5469000000028,1020.5592800000028,82.20517581335578,108.79196963999988,158.91872739322523,176.7374792439207,167.00703473712863,158.85628955373252,152.90895247663835,147.08839184263815,139.13023645433591,11296.755094651957,9733.309206412598,20297.68770778796,30131.258076151273,28283.000866408,26809.558468027677,25170.827917416642,24769.629414181996,23844.627341200456,158.77777777777777,138.5,244.58333333333331,295.66666666666663,294.41666666666663,279.25,265.33333333333326,253.58333333333331,226.33333333333334,54.859609999999954,59.619197895522454,35.38231454615395,24.392207241758424,24.97552466081889,24.877642123456788,25.121200202614382,23.32685558,22.638798722222226,163.4976198143372,215.32742778383414,148.3957738314981,111.55776477712494,113.07840425736158,113.68934072211216,115.53169642576093,112.017623648005,109.27990817329744,7.179517647058816,7.374444477611947,7.254135907692314,7.125679780219798,7.16992573099417,7.179213382716069,7.1495777516340056,7.143646000000018,7.087217222222241,1.2088996443140556,1.6237607408955206,1.2224517491786555,0.971085050790773,0.9766493259481207,0.9805943799613118,0.9994049181479631,0.980589278950921,0.9661821975995549,166.12875139194054,145.27327173750146,156.13605929067663,165.55636305577622,165.3976658854269,165.49110165449184,164.515215146514,165.1308627612133,165.58768986944762,2.3349673202614376,2.0671641791044775,1.8814102564102562,1.6245421245421243,1.7217348927875242,1.7237654320987654,1.734204793028322,1.6905555555555554,1.5717592592592593,0.3337566881048257,-0.16298776839977033,0.017787688675562352,-0.0085303527276234,-0.007433513899515847,-0.01548035162077678,0.021186342505864028,-0.01640155626804706,0.0020468867160756193,2024.5283261176514,-21.106973968852884,-645.6575054013797,134.00067268512058,-18.958022266435602,-63.83622233910016,-105.00954688235308,-218.93963743598604,8.002814809686722,3335.035835038237,-155.63528334395826,-1444.5363051657534,146.36488461012053,0.1453235092571461,88.07671429093729,-155.99460216239163,-212.58707201411306,6.409711770240342,2.3306437647058766,0.06091017301036221,0.8102198615916791,-0.006996429065739131,-0.2002588788927382,-0.3480433217993141,-0.16015764705882396,-0.3047179515570929,-0.03470538408303441,14.837913026831517,-1.0407784301547445,-6.612636662463375,0.28514378894959647,-0.019889786715359792,0.8505849714408746,-0.6644461764139515,-0.48234742150538534,-0.025569352617369256,81.42059787353165,-6.234129318107801,-35.736103869873475,0.8772718196174125,-0.24077038916377091,5.267016168379222,-3.619209100439001,-1.91755420720974,-0.2529161458054716,43.163398692810354,0.7573048827374083,10.976835832372158,0.08554402153018242,-2.915801614763552,-4.698096885813159,-0.6666666666666667,-6.43396770472897,-0.8558246828142997,0.004908186589776849,-0.0024326532596980646,1.368283744274027E-4,-4.687006993199671E-5,-4.3470841517636535E-5,-9.555772605417766E-5,1.384728268357126E-4,-1.0934370845364708E-4,1.4214491083858467E-5,29.77247538408311,-0.3150294622216848,-4.966596195395228,0.7362674323358274,-0.11086562728909709,-0.3940507551796306,-0.6863369077277979,-1.4595975829065737,0.05557510284504668,49.04464463291525,-2.3229146767754965,-11.111817732044257,0.8042026626929699,8.498450833751234E-4,0.5436834215489956,-1.0195725631528865,-1.4172471467607537,0.04451188729333571,0.03427417301038054,9.091070598561524E-4,0.006232460473782148,-3.84419179436216E-5,-0.0011711045549282935,-0.0021484155666624326,-0.001046782006920418,-0.0020314530103806194,-2.4100961168773896E-4,0.2182046033357576,-0.015534006420220067,-0.05086643586510289,0.001566724115107673,-1.163145421950865E-4,0.005250524515067127,-0.004342785466757853,-0.003215649476702569,-1.7756494873173094E-4,1.197361733434289,-0.09304670624041493,-0.27489310669133443,0.0048201748330627065,-0.0014080139717179585,0.03251244548382236,-0.023654961440777784,-0.0127836947147316,-0.0017563621236491083,0.634755863129564,0.011303057951304601,0.08443719871055506,4.7002209631968363E-4,-0.017051471431365803,-0.029000598060575058,-0.004357298474945534,-0.04289311803152647,-0.0059432269639881925,-0.4956317807405658,0.027877582061040514,-0.009549365957199206,-0.008856802960217725,-0.019469049170464034,0.028212624826475532,-0.0222778222574905,0.0028960779758180973,-0.010581231763822538,-0.16681838279562264,0.02472980237073095,-0.003723762497369225,-0.013235404516961903,-0.023052732393717107,-0.049025066410396646,0.001866660468372009,-0.047363268592561535,-0.22656536335848584,0.01639735935925707,1.7327989421392776E-5,0.011085479885078305,-0.020788662468330384,-0.028897082594204364,9.075789543689041E-4,0.026524551287665298,0.18184130866978282,-0.0011216001603300183,-0.034168718077416595,-0.06268322115348332,-0.030541422738438694,-0.059270664525307666,-0.0070318140605389635,-0.0711900949051815,-0.2331134865511213,0.007180069032260104,-5.330526506634235E-4,0.024062391144828398,-0.019902354947459497,-0.014736854436359246,-8.137543663939423E-4,-0.07770977110946842,-0.22958233841571196,0.004025663004309831,-0.0011759303244805344,0.027153402832216567,-0.01975590231444119,-0.010676551920583963,-0.0014668600762874615,0.017806937450843937,0.1330231095373436,7.404769670063599E-4,-0.026863038881273508,-0.045687798640554764,-0.006864526549565937,-0.0675741974560876,-0.009363012315768218,1.6049952702125927,1.0074259785268904,0.9928300053468528,1.123847054866603,1.180198709731654,0.988977270649268,0.918166830876825,0.7728451091307065,1.327375062789729,1.296074675075385,0.9428991472854878,1.0001856308285766,1.01525162949178,1.0151515151515136,1.031780426404669,0.9416531023633231,1.5005764120818161,1.4124967040635021,0.9546990017155202,0.9730184209139833,0.960317634852593,1.0151515151515165,1.0085841013807602,0.9703296017176222,0.7544902514185439,0.7326567988889936,0.9334938712112583,1.1751751130672035,1.256859297122264,1.0151515151515171,1.0599806960682228,0.7569419822225576,1.5683789374284647,1.4381874391010607,0.9626213372143574,0.971875399777877,0.9454923940585876,1.0151515151515154,0.9940930594342527,0.9715361240279528,1.579582563854358,1.4369856275433415,0.9648352213705346,0.9742866512449231,0.9448724013547324,1.015151515151512,0.9902165028629148,0.9689909141460654,0.6004315566323454,0.5190720658808193,0.8031283903861148,1.167963063321541,1.2392377234896947,1.1933487280436128,1.2762870987280466,0.7419856021603086,373.3684776861319,186.93423884306605,298.00693791911743,373.8268110194655,15.57611712581106,186.93423884306605,0.500000000000199,0.12854205941999813,0.005355919142499922,-4.923597882095635,509.0707290527844,21.211280377199348,14.958208713068661,373.39447549935846,186.94650332877794,298.0228260405101,373.8514623943728,15.5771442664322,186.94650332877794,0.49853115819738036,0.12841325559365974,0.005350552316402489,-4.926003975225776,513.3004593602658,21.387519140011076,14.978067274755913,396.59319124096464,197.89760114242412,312.5097431236054,395.8617013645246,16.494237556855193,197.89760114242412,-0.7979889561163702,0.013805103918799244,5.752126632833018E-4,-10.278520574419153,235.52903855843772,9.813709939934904,13.108402108405304,373.42176109848936,186.95937534946358,298.03950198645566,373.8773348988907,15.578222287453773,186.95937534946358,0.49698960043778584,0.12827807217649695,0.0053449196740207065,-4.928531838040646,517.8983475738113,21.57909781557547,14.999469558712459,421.51148392015386,209.67344769573765,328.785239020929,419.52727776886525,17.480303240369388,209.67344769573765,-2.1645885286785926,0.10770526862258334,0.0044877195259409725,-5.348056263807762,270.28115844146697,11.261714935061123,13.438710587409403,376.09319095207957,188.21972966191782,299.67623929024114,376.41060362618936,15.683775151091222,188.21972966191782,0.34626837175605374,0.11504597064311606,0.004793582110129836,-5.189816365854658,459.2013125202449,19.133388021676872,14.71077288786496,383.06879136076475,191.6538792653418,308.3309115777659,383.9521788066519,15.998007450277168,191.6538792653418,1.1778499278495644,0.19949656150464679,0.008312356729360282,-3.86869986807944,237.80597831568352,9.908582429820147,13.131492297696646,0,11.890000000000002,15.995925717758162,-0.31569867709627225,0.2615320889308523,4.311183742713972,7.638213085548808,23.0,67.0,66.0,66.0,22.0,1.0,1.0,0.0,0.0,1.0,50.975107999999985,3.585900496966903,3.5356132362658865,3.45509132877993,3.355783034355175,3.2710593830701775,3.1373283343187364,2.9585008546142215,2.775719736132376,1.9560158740625229,1.9074400707475276,1.8354115556371455,1.8114165151496573,1.7196639599001609,1.5951087570543319,1.4628719567321866,1.3914019002982283,3.5826548983214606,3.529651964269411,3.4494376070907276,3.3782847658741297,3.284900115458278,3.136329367761453,2.9611903555770445,2.7941729547259295,1.899139263169988,1.8534374531987234,1.7924756317131179,1.7484214299324579,1.659026032313884,1.5387714762250468,1.412626859964234,1.316901975446829,3.7085714279779216,3.668734373866198,3.60130901660054,3.5242900587735364,3.4366042775062065,3.3095473367722,3.1564769342754855,3.010239223670457,1.7255663566627661,1.6714477387919178,1.591802175733002,1.5443226179290288,1.4495994890247816,1.3071534048106963,1.1501364348837708,1.025100114450407,3.6014485345396228,3.5446000471514685,3.459069756969934,3.398091752782048,3.3036002428447437,3.150542015026615,2.975274146829156,2.816833496457035,1.8644770544617957,1.8248749777442133,1.7682418771939967,1.7076301291407119,1.6219101049623736,1.5064744287346292,1.3785526960878045,1.265643314126625,3.762281138944295,3.716457831420064,3.6509407484400698,3.589644993113129,3.4992025067211676,3.3708623761637586,3.2263185543292434,3.098579131926911,1.672047509217447,1.6191193600702818,1.5417145198001758,1.4830261354218923,1.389019728647019,1.2460765596058223,1.0842798289208266,0.9420002640061603,5.174870383696435,3.615153506765815,3.570966781875215,3.5492934074952798,3.452088318116064,3.3169427631243997,3.206153480732308,3.1242994936775124,1.818707129682013,1.7575567887774408,1.6603813247117507,1.6060437613353529,1.5268176565170344,1.3734464550277514,1.2048956015843488,1.0682132239540219,0,0,1,0,0,3,18,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.08333333333333333,0.08838834764831845,0.08333333333333333,17.71948589292058,11.808060412490448,8.339376234204547,5.6009536313038994,3.751256470510539,2.495099760268685,1.718189107256039,1.0503810964856393,0.7383119122050242,0.5133939309778456,0.3625815754001977,0.2545888014229045,0.17863126050050188,0.12475498801343425,0.09043100564505469,0.06178712332268466,16.751525423472135,10.964690378025045,7.273771039356593,4.745394899343333,3.0431684957672327,1.9969517906830125,1.332299254462365,0.8587445040667865,0.6979802259780056,0.47672566860978455,0.31625091475463446,0.2156997681519697,0.14491278551272538,0.09984758953415063,0.07012101339275606,0.05051438259216391,35.34980989212292,66.19373634377287,62.658823529411656,63.52000000000008,40.52867784431144,522.9306538922156,0.5198501454723958,0.9734372991731304,0.9214532871972302,0.9341176470588247,0.5960099682986977,7.690156674885523,7.5912000000000095,105.41300000000008,192.06795082598492,304.4507914202721,384.1359016519699,16.00566256883208,192.06795082598492,0.07599339997826465,0.003166391665761027,-6.185061083659392,276.2210321165996,11.509209671524983,13.49088332692145,761,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,19.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.592161729238377,-0.001718423815528558,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.833281348644124,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.393921502345855,0.0,23.68230185889796,0.0,0.0,0.0,0.0,0.0,0.0,-0.001718423815528558,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.429553616296912,5.1626081129414665,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.1626081129414665,-0.001718423815528558,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20700429191888103,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1135780206996637,0.0,0.6052314814814814,0.0,0.0,0.0,0.0,0.0,0.0,-0.001718423815528558,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.429553616296912,5.1626081129414665,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.429553616296912,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2803434816461916,0.0,1.4453164018182334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.429553616296912,5.1626081129414665,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,44.66666666666667,1.8611111111111114,0.5559027777777779,11.429553616296912,0.03300342275364332,-0.001718423815528558,13.313285882760216,1.6683850904821953,4.4295536162969125,12.972166463168467,1.6683850904821953,4.4295536162969125,12.972166463168467,11.66666,0.48611,0.0,0.01389,0.46373,0.76389,0.42973,0.46373,0.76389,0.034,0.0,-0.034,0.0,0.63636,0.07793,0.0,0.11429,0.04286,0.0,13.75,0.57292,12.25,0.51042,1.5,0.0625,-10.75,-0.44792,0.0,0.0,31.67362,1.31973,35.87415,4.20053,0.17502,10.75049,0.44794,11.80805,1.05757,0.04407,0.10595,0.00441,0.10595,0.00441,0.0,23.02,2,2,2,2,0,0,0.9545454545454546,1.0827203878670804,1.5036119659371505,2.490562430328682,3.1973180914978525,3.5964083099979147,3.92398480541311,73.62498637496147,102.24561368372623,169.35824526235038,217.41763022185398,244.5557650798582,266.83096676809146,0.17786069765063142,0.24700141999196412,0.4091297959885585,0.5252299972711023,0.59078936558391,0.6446010280051483,5.00474245338326,4.583850875313189,3.596900410921658,2.8901447497524875,2.4910545312524253,2.16347803583723,0.17786069765063142,0.24700141999196412,0.4091297959885585,0.5252299972711023,0.59078936558391,0.6446010280051483,9.123484061109917,14.291680486774286,18.419309950798436,20.634465723495808,22.576298273949973,23.170367955907018,89.80102835834022,73.71972487899072,62.75665689557885,55.16470238597909,47.81940114132419,43.225707122033086,24.0,21.043478260869566,21.0,24,3,18,3.6599999999999997,3.2827999999999964,0.045454545454545456,4.386859157067171,0.21693045781865616,0.0,31.312221175313205,3.1990841363812454,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,11.341999999999999,23.0,22.0,21.0,20.0,19.0,17.0,16.0,15.0,14.0,214.0,3.2188758248682006,3.258096538021482,3.2188758248682006,3.1780538303479458,3.1354942159291497,3.091042453358316,2.9444389791664403,2.8903717578961645,2.833213344056216,2.772588722239781,5.438079308923196,1.0700934579439252,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.0,0.8695652173913043,22.0,0.9565217391304348,2,11.0,22.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.16666666666666669,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.06521739130434782,0.028985507246376826,0.017045454545454544,0.011428571428571434,0.008333333333333335,0.004296455424274973,0.003676470588235294,0.003086419753086419,0.002666666666666667,0.0023612750885478157,0.16582082533251785,192.06795082598492,304.4507914202721,384.1359016519699,16.00566256883208,192.06795082598492,0.07599339997826465,0.003166391665761027,-6.185061083659392,276.2210321165996,11.509209671524983,13.49088332692145,26.3,404.0121151701916,5.584962500721157,4.532599493153256,5.209486152841421,5.905361848054571,6.594413459749778,7.29641326877392,7.990576881743923,8.696008608880904,9.393078508655353,10.10082086695052,112.71875908880364,3.8501476017100584,0.0,4.9344739331306915,0.0,6.1463292576688975,0.0,7.418780882750794,0.0,8.726967774991493,9.048644632975885,340.33413064800123,5.004913686000018,46.6490781961618,1.9437115915067418,5.452198496865541,5.452198496865541,0.0,2215.0,22.0,10.379000000000003,92.0,1.2442686567164176,2.1470112170951348,2.8694626438057904,3.6292564048794356,4.94315298168373,5.960030362579651,7.247623631278618,8.335915751132315,9.636717555270126,10.78214208613418,85.7289129861791,84.07603647858889,83.72729390825369,114.84344476263215,143.95206288196258,175.70871231359123,192.1930418685798,214.55865214095732,242.91088488959278,271.3843943184348,294.156018533619,339.5860678292956,353.2824343830055,482.2489876318896,620.0516052481371,766.3573157528672,878.0169603775565,989.0825126959818,1121.540376912753,1252.2962391078042,9.22025370853732,15.637552794986368,20.511865978616203,26.227051824227406,35.63187505684866,42.801284028251814,51.92778992753539,59.301951063027644,68.55485377458713,76.795212156309,2.1601650099898513,2.7476324977191604,2.971815360954193,3.9970378887227085,5.197433891800375,6.448547528921697,7.5149587725664935,8.547041073413398,9.720336824360698,10.85178894969752,178.5745945178313,331.9685335095271,471.21395550374245,585.7504034983588,808.5541581152362,965.1157946430135,1185.0217096137937,1364.8852163038923,1583.7320666181351,1772.0204452235294,2.6450907960199,4.164442226005679,4.77069465978456,6.52774210667615,8.724423749547096,10.603245714603057,12.4623034546502,13.42124700952161,15.564530720620432,17.59492676379804,0.4593163432835817,0.5985475173695927,0.6554241745231454,0.8841923723156061,1.1507189234162218,1.417847300680772,1.6538351761129069,1.8718523137642455,2.1346561997826745,2.388277049984077,889.7617404500071,1411.3909142211105,28.481655002132392,227.1074591677194,-360.2508287882168,-21.9475599406175,662.6542812822877,1771.6417430093272,50.429214942749894,0.7966570666954983,1.2637029606548291,0.02550133445517243,0.20334293330450154,-0.32255417994472463,-0.01965096713932978,993.747482906875,1576.3390407138631,31.810283226019827,253.64932614786636,-402.3530548103184,-24.512553704439547,0.16482163508840503,0.19896483877188686,2.7679452946948038,1.9038743520030241,1061.0310962977517,55.83810331997503,0.950004796139882,0.049995203860117965,1579.2896969676642,39.74027801824824,11.645387226168129,2005.5192845663212,44.78302451338365,12.61078962539855,2861.6872201800065,53.49474011694988,14.197353239719407,4.969571362590791,4.969571362590791,22901.500188784372,22788.431686500655,183.0656279065406,1.0049616622959927,125.09994612684002,124.48230695788887,9.187513903049854,14.314947604404614,28.279113253139847,0.9754954076421875,12.28485040875604,19.469305304010387,7.985430182176342,89.9931045561483,33.7481544027142,1.7336334749752995,18.169538736179433,14.597149768471512,68.12264562252852,2.8943812021121462,7.079817495770396,62.20099961845122,7.188182160534444,68.60472923086468,3.049368540771446,13.542005032666815,33.328578012344146,4.744474411335282,60.80104531343363,2.9262077776296183,19.204073516619285,23.138659507134943,6.114945792915522,47.9477701337488,3.293026458929877,22.79096216463838,14.895439003327724,7.10592578525271,31.94782454827642,4.121724787504895,1.0474898877164551,19.61959674999003,0.6403807712283781,19.67254573200048,0.3187346781820452,1.6893444230828532,2.6345309286333243,0.726817525808629,18.140269681588826,0.24114126774168398,4.770003508894158,5.683558164245718,0.7901237877791326,14.21119953396369,0.07070875949239841,4.759827274061894,1.3716274884050477,0.7354575941778402,10.918514337356052,0.10150733716182757,4.703802761885127,0.5899933073215505,1.0135876198283305,7.571947878656959,0.14164939377442365,4.393152188016309,0.31062017477436116,1.3681241880459591,4.636206180632034,0.1886768555114473,3.334007609671588,19.338560520590867,1.840867333195757,24.436279814070165,2.577945323308541,1.516803880771028,5.224787705780025,2.144774408646663,23.01812403123384,0.492215799102511,4.7435758720627526,14.012856783230047,1.3941089510712952,22.086799894020444,0.35029239794808426,5.72794912695171,4.954006007498144,1.1063574147853639,18.521989140989618,0.4226089416396697,6.696777199823476,2.5848052181679884,1.5055111385153468,13.567856081260317,0.5460252574449402,6.779463116748241,1.5831117937371053,1.995615127689201,8.561402456448281,0.7126698722846136,11.601011774449148,19.61979556408302,7.989409901453719,84.08558223749242,30.335692512597177,1.8157145645281427,18.106891666758347,13.888666748723514,65.89658485839891,3.2963801114449085,7.084960828466465,58.57712067720416,7.24069314694218,64.86077850471744,2.750831476263639,13.181000899238166,30.892992732831306,4.341711582945727,57.182593626511476,2.662901288254118,18.624616887257258,21.28844531898898,5.610179269070365,44.85309819094148,3.0155909713575753,22.033191125949305,13.483540230388279,6.565980424668953,29.778483586394884,3.7823070387581845,4.906132044432349,19.231817641304076,2.611928701780582,30.22380185412744,5.421018475173812,1.4599537959484754,6.9317163326243945,3.375438331354993,27.582216185804747,0.5816659024899826,4.889427126969004,20.645988248204443,1.8417192943733103,28.365927766666367,0.6397337816436982,6.649370450433823,8.152627733880806,1.493860851915599,24.46979574977581,0.7188924200094631,8.33529385848094,4.614208483908862,2.0063817556477277,18.33280207851346,0.894547219016266,8.763530341613999,2.9415030965438724,2.587865138003416,11.736898933077416,1.1551638374058488,14.835759026867361,19.565086639033158,10.305478552299482,122.21128454687853,49.20169275499665,1.8608229379453283,22.794530815610294,20.324513460671152,87.6135269985781,4.16478566286823,8.03871016598421,79.68322752496567,10.017473173576843,86.13953788504726,4.286636994265104,16.397111163924972,45.706161252208766,6.417763197871958,76.35172083455755,4.003733294841504,23.556751150520917,32.827124001425815,8.20925502674692,60.85638700043395,4.416200454207531,28.72955920483304,21.14019682991422,9.332989217248784,40.917730602486834,5.490433537325812,8.042768246455482,19.43912890200325,6.166644256537006,58.13263891064832,15.798942865368778,1.9785540988080308,14.699272349949453,11.355425890054573,58.44318039835768,3.2511387285386943,6.827262571358093,43.44696664035747,8.486033984571696,47.04041053297741,1.3970521873859483,10.644726180128016,20.387947263652308,2.579795202382748,39.64542737920535,1.4313748248707963,14.480525966782576,13.641643142940186,3.410063505314072,30.024284777640194,1.6847358468547804,16.543761509702982,7.269540448478275,4.201047857924474,19.606593037106737,2.1393874273349818,70.51556653330952,0.8397864175636763,0.5106885926470588,0.9812084402980104,0.01168544140635773,0.5471429314153259,0.6536743713380865,0.6176387628729139,71.86604154352025,95.65837977779665,197.76638606177568,0.9718126604470155,1.8184560656263262,67.37358156693301,0.43886608434216257,0.10277586935218692,0.9920247342846505,0.006461969225631263,0.49955125341912715,0.17646624070911168,0.025015232770407337,67.91522352062736,36.53746319064666,107.49156155360758,0.988037101426976,0.7010327268986462,68.5220849072743,0.5658611295148148,0.2661394644037357,0.9880035820830737,0.008159016522611091,0.5166583503465576,0.29666282082054085,0.16774160239474528,69.35408550119286,57.16101331732553,136.83438624951046,0.9820053731246106,0.9810627735618438,70.42887089450579,0.8352261199659239,0.4952022830509213,0.9814598467928076,0.011639273629233426,0.5458043843977969,0.6466333428142622,0.5807477111784229,71.75929929752263,94.1141761119278,195.00327063677187,0.9721897701892114,1.773185438390482,69.08918128022994,0.6342038057318007,0.3421190004036747,0.986065570798834,0.009051584142605424,0.5252330550776431,0.3728280872410366,0.2771894005213689,70.06550408636541,67.67031651318582,152.72631941758465,0.9790983561982509,1.1752505428400486,70.77287150967469,0.8774055280330408,0.5407464576548614,0.9803555633786104,0.01215394221539751,0.5511432606265876,0.7135538259288606,0.6924837659229077,72.19102349536259,100.84114219549058,206.61063280168523,0.9705333450679156,1.9571808524783558,70.54510463392143,0.8427134950385344,0.4979405372982328,0.9813502137668049,0.01172295473643082,0.5476103993796816,0.6582048663701264,0.5871880350483937,71.8857586662582,94.99620019959389,196.48418106774886,0.9720253206502074,1.7930033007982016 +UMLCN0145,L,methyl linolenate,CCC=CCC=CCC=CCCCCCCCC(=O)OC,Esters,Olefins,C19H32O2,NREL (2014),IQT,PubChem,,37,0,0.15309999999999835,0.023439609999999493,85.0443,56.38137599999996,0,0,53,21,32,0,19,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3285.4683489999975,3416.408840000003,3823.3138760000033,3648.731503000001,3342.480897000001,3119.6109199999996,2923.8702549999994,2737.188485999999,2555.5870369999993,9474.28250895577,11779.54755982267,15075.531814004433,15607.05924011851,14825.614645213655,13998.349469061954,13022.634868537752,12068.405651091281,11269.595155799465,384.9640839999998,386.05464800000016,688.9869440000012,875.3175880000024,838.7282760000022,821.7321440000021,765.5657080000018,696.3615120000012,660.7496360000009,68.50312095516797,87.06273791999995,120.69623148558381,130.91846540220476,124.61330762111075,119.5471481622047,110.97023220765774,102.17302184856379,95.59887601371481,8697.36020209097,7515.455565587802,14583.61738284843,19819.38870705737,18832.175392782436,18799.96647561078,17505.928972596448,15810.261061222269,15039.181409969317,150.52777777777777,127.5,209.66666666666666,235.8333333333333,229.08333333333331,208.33333333333331,197.58333333333331,181.58333333333334,173.91666666666669,61.98996884905656,65.70017000000006,40.67355187234046,29.90763527049181,28.814490491379317,27.127051478260867,27.325890233644852,28.218437999999992,27.778119967391298,178.76004733878813,226.52976076582055,160.37799802132375,127.9267150829386,127.80702280356599,121.72477799184307,121.70686793025936,124.41655310403382,122.4955995195594,7.263473283018864,7.42412784615385,7.329648340425545,7.174734327868872,7.230416172413812,7.145496904347844,7.154819700934596,7.1789846597938265,7.182061260869575,1.2925117161352448,1.6742834215384605,1.2840024626125937,1.0731021754279078,1.074252651906127,1.03954041880178,1.0371049739033433,1.053330122150142,1.0391182175403784,164.10113588850885,144.52799164591926,155.1448657749833,162.4540057955522,162.34633959295203,163.47796935313724,163.6068128280042,162.99238207445637,163.46936315184038,2.840146750524109,2.451923076923077,2.230496453900709,1.9330601092896171,1.9748563218390802,1.8115942028985506,1.8465732087227413,1.8719931271477663,1.890398550724638,0.3560626319430841,-0.15565488120581,-0.009514682210826287,0.01694003522297419,-0.03817383278765602,0.004706116373628961,0.0039150230671953674,6.924928801662626E-4,-0.020217493354441115,1671.6078514716949,-16.26343706656766,-464.3373846479135,23.62898357458264,-321.15510633428187,-11.599887966891863,2.3534398212888163,-74.00189427839032,-48.64906974332492,2708.059276483841,-140.60139429302654,-916.7763916922274,0.7357924413106645,-319.06843559207687,9.290051075560534,37.35570052312721,-85.97599064566435,-45.50993661161598,2.2251127547169802,0.049867334994657106,0.6678940576717661,-0.03656286934852159,-0.4219867839088651,-0.07784201495193813,-0.08614733499465836,-0.12728394731220988,-0.12302629120683443,12.107661450764695,-0.961824326347213,-3.73895899960859,-0.17116292133573371,-0.7464328586323727,0.09161364186895646,0.21636598272673957,-0.2908678327165648,-0.1329165701349335,66.70092359918341,-5.790272372551628,-19.30029823548711,-1.2596181189641231,-3.0234787701237114,0.5495383467564077,1.2205205270547765,-1.469290233051067,-0.652385299737428,43.92348008385734,0.9199398757960521,7.777224002215096,0.44133934575372225,-10.576757248526533,-2.8460207270282027,-3.44981408963253,-4.107857679680394,-4.103546141370992,0.006718162866850643,-0.0029933631001117307,-1.0122002351942859E-4,1.3885274772929663E-4,-3.2908476541082776E-4,4.092275107503444E-5,3.658900062799409E-5,7.139101857384151E-6,-2.1975536254827298E-4,31.53977078248481,-0.31275840512630115,-4.939759411148016,0.19368019323428395,-2.7685785028817405,-0.10086859101645099,0.02199476468494221,-0.7629061265813436,-0.5287942363404883,51.09545804686493,-2.7038729671735875,-9.752940337151356,0.0060310855845136435,-2.750589962000663,0.08078305283096117,0.3491186964778244,-0.8863504190274676,-0.4946732240393041,0.04198325952296189,9.589872114357136E-4,0.007105255932678363,-2.9969565039771794E-4,-0.0036378171026626304,-6.768870865385924E-4,-8.051152803239099E-4,-0.0013122056423939162,-0.0013372422957264613,0.2284464424672584,-0.01849662166052333,-0.03977615957030415,-0.0014029747650469977,-0.006434766022692868,7.966403640778823E-4,0.00202211198810037,-0.002998637450686235,-0.001444745327553625,1.258507992437423,-0.11135139177983899,-0.20532232165411818,-0.010324738680033797,-0.02606447215623889,0.004778594319620936,0.011406733897708191,-0.015147321990217186,-0.0070911445623633475,0.8287449072425913,0.017691151457616384,0.08273642555547975,0.0036175356209321497,-0.09117894179764253,-0.024748006321984373,-0.032241253174135794,-0.042349048244127774,-0.044603762406206435,-0.44556274675653507,-0.015066622456993032,0.02066826161872857,-0.04898433871477381,0.006091360374271234,0.005446280680174455,0.00106265686004883,-0.03271063338351165,-0.00991631826633272,-0.15662001620795687,0.0061408243759920305,-0.0877805524325254,-0.003198139634942021,6.973660283275334E-4,-0.024188702316283586,-0.016765950519657773,-0.05291806885640571,-0.1908768550074632,1.180356496458435E-4,-0.053832377028067986,0.0015810221870771113,0.006832675737197845,-0.017346951234188057,-0.009681354134952429,0.022842133324860472,0.16924021653898233,-0.007138455989435634,-0.08664922981201591,-0.016122785468059782,-0.019177055080336687,-0.03125544936967631,-0.031851797857550435,-0.08096699366712316,-0.17411590717156816,-0.006141372786963299,-0.028167503740466948,0.003487208447958471,0.008851580117690758,-0.013126216448373926,-0.006324218980826064,-0.08847889123387966,-0.16314741176689623,-0.008203951617372963,-0.02071061313306272,0.0037970313643904356,0.009063696032328036,-0.012035936268374839,-0.005634564583598337,0.021346920268238593,0.09983340450412087,0.0043650773468623194,-0.11002051536101025,-0.029862031254377416,-0.03890371197743975,-0.05110022139989007,-0.053820858525227666,1.4920986823192346,1.0866331221905812,0.9011718849562593,0.9456418413010962,0.7664970398397598,0.8184580871314033,0.868697239685981,0.9296456812200733,1.1730696037791408,1.2186022265636476,0.9541668839663666,1.0755536253169276,0.9445982641782863,0.9448281512078144,0.9839945466833614,0.9760688030145214,1.349199280310668,1.297279888418405,0.9911047798155187,1.0416045242541647,0.973376303050183,0.9653505355847987,0.9980224912389204,0.9817810433997509,0.7263236420599112,0.7877097351618664,0.7916387627829538,1.0879742494749494,0.7464153410344472,0.7918625910829318,0.8649272888253394,0.9028977911548058,1.423307434524906,1.300206005321505,0.9976666230533899,1.0177068804546663,0.9691533930323516,0.9608210800741805,0.9930336813902061,0.976529115453942,1.4363981102370649,1.2929710836131296,0.9965190286544132,1.0110162018881206,0.9642124094452873,0.9566394708927176,0.9893548516495398,0.9736349764618473,0.6014247189938681,0.6062821887022778,0.8515181236290077,1.305921845773534,0.7652306724951742,0.8210611467829257,0.8873992487805066,0.9297295306240417,266.6418806300407,133.57094031502027,213.98116846964695,267.0942615824215,12.71877436106769,133.57094031502027,0.49999999999982947,0.022869676432698327,0.0010890322110808728,-7.9336811802332035,177.51044671452567,8.452878414977413,10.875961870017974,266.65448232736986,133.57650674278358,213.98760738918475,267.1055343276437,12.71931115845922,133.57650674278358,0.4985311581972951,0.022943985475441686,0.0010925707369257946,-7.926868839978874,177.50335505078755,8.452540716704169,10.875877971905968,278.0505460813007,138.6262785625923,219.87317674470438,277.32855607338615,13.206121717780292,138.6262785625923,-0.7979889561161428,0.08965022219342766,0.004269058199687032,-5.064863161007518,175.16684972154013,8.341278558168577,10.848051788029952,266.66770867508967,133.58234913776369,213.9943656434682,267.11736593262856,12.719874568220408,133.58234913776369,0.496989600437729,0.023021976065521754,0.001096284574548655,-7.919742680062211,177.49592388290532,8.45218685156692,10.875790053684828,290.58882208817795,144.21211677974972,226.4939797639693,288.6303848479451,13.744304040378335,144.21211677974972,-2.164588528678479,0.16273330268952385,0.007749204889977326,-3.8128494557964396,182.2184339623102,8.677068283919533,10.930932923472872,267.96478205791743,134.15552521483698,214.65795275406896,268.2780724895066,12.775146309024127,134.15552521483698,0.3462683717565085,0.03066141918252696,0.0014600675801203316,-7.3179752495977315,176.82580410658818,8.420276386028009,10.86784668980404,292.62469558323073,146.4106703128483,238.20280910539094,293.26212248381546,13.964862975419784,146.4106703128483,0.8923976608186024,0.15709697348274765,0.007480808261083221,-3.8868731975124255,214.19699748586243,10.199857023136307,11.270481895209237,0,11.99615713390471,15.998264214428769,-0.34960746606084003,0.26125707212676386,4.03685844007521,7.979930079923941,20.0,52.0,48.0,48.0,16.0,4.0,4.0,0.0,0.0,4.0,37.85662399999999,3.6118451744947615,3.558194573916361,3.473094066704945,3.3309392655771055,3.1644803203284146,2.946184959665472,2.7529725648894945,2.6260179566600366,1.9356792405838128,1.8823527814348766,1.7962401928304124,1.6884871656645524,1.5532991567165721,1.4462178834451969,1.3598711805370125,1.2091915000633076,3.630267289765917,3.5458338448000553,3.458666305441501,3.31061798016511,3.152989554088285,2.9383771508392944,2.773068516705004,2.630595765166962,1.8858259899779226,1.8343221487572514,1.7511412652771232,1.6447813958749293,1.5193190155293026,1.4011078058095976,1.2803895226443107,1.1356247167522602,3.7229423514865814,3.668504997665096,3.5856108497096995,3.4612957516654217,3.313443561129461,3.1386199685825615,2.979979324658759,2.8506126985777525,1.7397663892456159,1.6737846663989595,1.579973786195954,1.4452574785108816,1.2948787553509327,1.125095800809089,0.9959619887501554,0.8657777190883985,3.6449883201477813,3.560570273511549,3.4684251148526863,3.3179846962365787,3.1586494420673294,2.9472824967031386,2.7947467605925715,2.6564375794399915,1.855732937010298,1.807426899884238,1.728777382213017,1.6232418348014765,1.4964093944615189,1.362596962653117,1.22939954661075,1.090541617930632,3.7685444872858227,3.7126475152592002,3.626307885174052,3.5056503757753212,3.365391328814705,3.208915768484598,3.066489885153708,2.932509894247252,1.697690150865054,1.6265432846708199,1.5357265510527491,1.3976462422867557,1.245994589159979,1.0612910675042933,0.9145643870548023,0.7822567624834642,4.808639295497336,3.722049155602565,3.583622428252531,3.429424803992205,3.3110763965622003,3.2587869958488462,3.054452030904658,2.9120460411459193,1.8577902575913041,1.7375336166386284,1.6565752880066478,1.5314082750576432,1.3614841163964835,1.2091118678691959,1.0604520466948888,0.9472173502871214,0,0,1,6,0,1,10,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.49279927982674443,0.348461712529338,0.24639963991337221,0.10059223176554563,0.07112944921610614,0.050296115882772816,15.598165549360939,10.308060412490448,7.25184260888705,4.9974002407106255,3.0682437686183195,2.044575975123381,1.3573451890125228,0.8972879875616906,0.7427697880648066,0.5154030206245224,0.3625921304443525,0.26302106530055924,0.1804849275657835,0.12778599844521132,0.09048967926750152,0.06409199911154932,13.85166600793096,8.326646495490726,5.176441074349249,3.2593958674052397,1.9904712398862996,1.2233921475823124,0.7497773195472065,0.4584133677724434,0.6596031432348076,0.4163323247745363,0.2588220537174625,0.17154715091606523,0.1170865435227235,0.07646200922389453,0.049985154636480435,0.03274381198374596,29.09884306940765,51.866715222141366,49.30588235294112,49.960000000000036,32.73735089820364,404.9892071856288,0.5490347748944839,0.9786172683422899,0.9302996670366249,0.942641509433963,0.6176858660038422,7.64130579595526,5.527470000000007,90.47000000000006,149.0144888509153,237.19247410233254,298.0289777018307,14.191856081039557,149.0144888509153,0.0494560278584254,0.002355048945639305,-6.314009793620244,217.12557653649776,10.339313168404654,11.298999347744642,577,0.0,0.0,2.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,9.0,5.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,10.0,0.0,6.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.517220791909834,13.292942986864782,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.893513279108159,0.0,0.0,3.066445624104902,2.0175714518643844,0.0,1.893513279108159,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.605017364861264,0.0,10.751485523030786,0.0,13.379820029142214,0.0,0.0,0.0,0.0,-0.08687704227743231,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.905159961691597,4.612060830218237,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.612060830218237,-0.08687704227743231,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.29326972928366324,0.0,0.0,0.2680399747105162,0.3220243883228673,0.0,0.29326972928366324,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4501620934976551,0.0,0.5656568604300324,0.0,2.199764293942205,0.0,0.0,0.0,0.0,-0.08687704227743231,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.905159961691597,4.612060830218237,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.905159961691597,2.278443536365163,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3252538562677903,0.0,0.0,0.5256815178818697,0.5256815178818697,0.0,0.3252538562677903,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.154855271363609,0.0,1.253139252961306,0.0,2.278443536365163,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.905159961691597,4.612060830218237,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,43.16666666666667,2.055555555555556,0.5637282827479468,10.905159961691597,0.255777064115258,-0.08687704227743231,10.498182794841842,1.753543708944099,3.9051599616915964,13.103792184831315,1.753543708944099,3.9051599616915964,13.103792184831315,10.16666,0.48413,0.0,0.01587,0.48742,0.77302,0.42923,0.46836,0.77302,0.05819,0.01906,-0.03913,0.0,0.62628,0.08801,0.0,0.13115,0.04918,0.0,15.25,0.72619,10.75,0.5119,4.5,0.21429,-6.25,-0.29762,0.0,0.0,21.5381,1.02562,30.02179,8.48369,0.40399,7.55425,0.35973,10.30805,2.75381,0.13113,0.10595,0.00505,0.10595,0.00505,0.0,20.02,2,2,2,2,0,0,0.631578947368421,1.1484747421966308,2.4902693100929625,3.831628125053428,4.5011364921357675,4.8692454544815575,4.944717152594766,60.869161336421435,131.98427343492702,203.07629062783167,238.56023408319567,258.0700090875225,262.0700090875226,0.20050465981623192,0.4347597578994078,0.6689387807403866,0.7858238479114871,0.8500895731892417,0.8632656811173962,4.579445712366569,3.237651144470237,1.8962923295097718,1.2267839624274322,0.8586750000816421,0.7832033019684337,0.19776210643411382,0.4288130041155871,0.6597888671312417,0.7750751508297635,0.8384618332843922,0.8514577150801733,9.663386512269573,21.295061816436977,25.782676436415123,28.68798231628919,29.88856985383727,29.549833065007082,77.40280585818532,47.7252896606236,34.358007709391565,25.771254330410645,22.466334776850193,22.757954416645035,21.0,18.05,17.950138504155124,21,3,18,3.3299999999999996,2.731099999999998,0.05263157894736841,4.021051602672681,0.34299717028501764,0.0,27.408212328519852,2.352779665665871,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.49000000000000005,0.47800000000000004,0.8580000000000001,0.48800000000000004,9.665000000000001,20.0,19.0,17.0,16.0,15.0,14.0,13.0,12.0,11.0,178.0,3.2188758248682006,3.367295829986474,3.4339872044851463,3.4657359027997265,3.5553480614894135,3.6375861597263857,3.713572066704308,3.784189633918261,3.8501476017100584,3.871201010907891,5.945420608606575,2.140449438202247,0.47368421052631576,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,0.7,16.0,0.8,2,10.0,19.0,0.9,1.5,0.666666666666667,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.075,0.03333333333333335,0.013157894736842105,0.009411764705882356,0.006944444444444446,0.005442176870748299,0.004464285714285714,0.0037986704653371313,0.003333333333333334,0.003005259203606311,0.17869496689517875,149.0144888509153,237.19247410233254,298.0289777018307,14.191856081039557,149.0144888509153,0.0494560278584254,0.002355048945639305,-6.314009793620244,217.12557653649776,10.339313168404654,11.298999347744642,26.3,344.2147851901904,5.392317422778761,4.394449154672439,5.0689042022202315,5.75890177387728,6.444131256700441,7.138073034044347,7.826842098158293,8.522578663692576,9.213036733523925,9.909817476230998,105.27673439312053,3.713572066704308,0.0,4.795790545596741,0.0,6.008813185442595,0.0,7.278628942320682,0.0,8.579416534596369,8.903271585724212,292.2402302640009,5.513966608754734,40.654900299695655,1.9359476333188408,5.135510785891027,5.135510785891027,0.0,1506.0,19.0,7.858999999999999,80.0,1.2354770798048802,2.1524362529188226,2.930061051832744,3.7304572082468352,5.037417146011518,6.065028175564923,7.41072682266595,8.513104709700057,9.810878500560566,10.98346839087873,92.90369795725266,97.51814086491805,103.77521488649428,134.8329665493724,160.29622615878768,194.82121518802643,235.83014804762337,266.15271085792176,300.2213842476401,341.7224158272781,305.87699235871617,370.39890354514176,414.1402669642565,557.6583127113926,677.1964164086496,822.8753083502197,995.1578093791854,1127.905167247521,1268.0124752992613,1441.8212296906815,9.224044096281048,15.846773642811687,21.089548048714576,27.138148805677766,36.153183216608205,43.62224439216927,53.38525038386623,61.370013965776884,70.7591438803977,78.81984716141291,2.204826605191669,2.909518178461359,3.3640228996178223,4.518712472365765,5.6185480897597975,6.816740710374137,8.246057593718005,9.371813366085062,10.556305515049171,12.031045458195768,176.44206966572497,330.2811387191859,471.73908015028144,589.8615269582832,813.3738351185547,976.3192779489951,1195.770379167516,1375.8094817306207,1594.7915622016483,1774.300595883239,3.141462057296287,4.979519787535026,5.81943462559789,7.668033059022508,9.455003789781241,11.652054146882652,14.239240126986017,16.541240071784635,19.72991284573385,21.41779841267928,0.4713050640866071,0.6340422216709611,0.7353466156472044,0.9875618763522039,1.2272864508254209,1.4916850178803063,1.8106430403673812,2.0640635471097033,2.335630156044846,2.645871510725997,664.0103284800095,1008.433979272983,25.146988174793012,189.58363019600424,-287.92108556686384,-24.03768155194851,474.4266982840053,1296.3550648398468,49.18466972674152,0.777899517365303,1.1813977465786394,0.02946012904519359,0.22210048263469695,-0.3373045024984131,-0.028160557262182008,566.7952048890116,860.7931524310309,21.465317184900474,161.82744139917673,-245.76769921531462,-20.518419753321115,0.171980478586962,0.21001572620100226,0.9086370936547796,4.258478722487106,795.3398969743505,58.25406170166342,0.9317543650472648,0.06824563495273525,1446.9826832035433,38.03922558627532,11.310655579765855,1767.3832445775888,42.04025742758468,12.0904809694844,2502.7682727277133,50.02767506818314,13.577095733929719,5.456723384090042,5.456723384090042,15877.398324788539,15774.480254341159,141.00623135019487,1.006524339869712,112.60068560627194,111.87080246946377,8.399343614741163,13.163705127736643,25.24135168428981,0.9174959815154861,13.050961706139425,14.632678921998044,9.179507324376655,46.7808066207609,26.86227332381103,0.8012021823827273,17.8473935432377,14.214943069587411,49.150253753830405,0.5995129014232713,1.7008012847675058,32.6358091053393,5.35412384582494,52.88140585747573,0.02579111155258096,0.8695039945380025,25.78434612396953,2.9899065741857695,46.97367823964398,0.010387030867951725,0.8387133654360185,18.85478289328317,3.4641787774870694,40.94067507415945,0.08758969284604291,2.0980151976115224,9.387734290568869,3.2223980182964427,29.90348002998116,0.044998819157062615,1.1028661118886418,14.884689625019675,0.8074720315525453,17.543565322325374,0.2558839182138945,0.12576470928039507,2.9700711089193823,0.18132875902863418,15.360823219932547,0.004843069761880783,0.20327501549727672,3.484112721591194,0.16138687119791595,13.474308510853897,8.991971570544276E-4,0.3232363617758934,2.125487874830864,0.13322015784336674,10.835344792422644,8.375272409985506E-4,0.5721907381802565,0.5660497751971758,0.15730886845392045,7.412467235282639,0.002079310049218962,1.2161399525600711,0.17142858470998656,0.134650310734654,4.976821034122984,0.0034207553710601077,3.538396938848211,14.399243446422723,2.3410587562673473,19.213457311553068,2.068346536362503,0.24907031364796817,5.814150942277716,1.2291859738422801,19.203997109768487,0.04559509366880191,0.359981050915019,8.346075693611166,0.6706996907398277,18.738436250600873,0.0037364381831052566,0.3480765741604523,4.6088579979298805,0.5075428803378921,15.51919611261902,0.0027261649201361197,0.5512643565276669,2.382689766333924,0.5956170292798842,11.84430161287961,0.010185798609624685,1.217539998714647,0.9379330524504236,0.5234210568217238,8.10724734185399,0.011276985457357273,12.32138877905048,14.892042177860619,9.162734902378565,44.22698286848385,24.10513271958234,0.7663364491810024,17.52798311439418,12.720213356432945,47.38168836239388,0.5345825046984852,1.5742485505947728,30.900939638663004,4.9342309447042725,51.497345422686,0.023473489728767383,0.8287819231055591,23.94584233033508,2.7412100533866632,45.22167216296785,0.009780971904033046,0.8727819286810689,17.145258869538363,3.178000750175934,39.13769831432454,0.07904779448744129,2.056765758094092,8.459930019360698,2.9480325061988,28.27526435686088,0.04223030526954025,5.211458917839572,14.215344132851516,3.3045805238644195,21.599069871818386,4.349015720889425,0.33765591497716346,7.656603035716486,2.4873164218024315,22.519978100768622,0.09751161975861268,0.5127043294122743,12.01070869220571,1.1602936362674638,22.864138552366125,0.0063503249065479635,0.3920070093476445,7.019095825930965,0.8264844653063145,19.398474709760997,0.0040406546923052716,0.5531683076994207,4.179043192172603,0.966781311901558,15.440673418022191,0.018526264638070403,1.2741622740891894,1.787647671257546,0.8619828316592875,10.779393359389992,0.016857320629202963,15.760931303208377,14.801944425242372,11.520505985346084,60.182765982921055,39.122392745063124,0.9691342637122405,21.718794449708035,20.5009751292423,61.77429141603814,0.8723093268360165,2.272055377701941,40.63629379940165,7.497463434550049,66.08513796104121,0.035273474810040756,1.1115769588433881,34.66074853224567,3.994780871948727,59.001271928898234,0.012655343873196768,0.9793356339382354,26.289854654433093,4.618844003295057,52.35289072093369,0.12297136380582786,2.511504955491118,13.3908260256676,4.3356508572305295,38.58855403437668,0.05550273255987803,7.526137125681755,14.331150097374548,6.580946469840901,30.876541586353326,10.044698073049998,0.5821558074186728,12.480995061951194,5.04963054924129,34.022974033556885,0.20419070255859126,0.8006628320306745,19.797308196324877,2.6248631979946726,38.95086164681655,0.010304578321542614,0.5833675719432341,14.071471613057978,1.258469708775061,33.2905535940778,0.00519847984407943,0.8785720954666485,7.83605426451546,1.6043725133582292,26.77177710884505,0.036053952393766533,1.895428265859879,3.6056567125329004,1.4275101969130286,19.048526034446102,0.022051856495494116,54.25105885760074,0.8913149800681068,0.3565323913023376,0.9775158204700067,0.016060045875333454,0.5443154051398882,0.6230599651378317,0.45276645907767804,55.49890622897119,68.01482385076763,140.75377593898986,0.9662737307050102,1.620141829355398,54.308134990676066,0.41948137578969935,0.06512750906919323,0.9911556010781334,0.007655783341359519,0.5454003385068715,0.13549467928845407,0.01510793811773913,54.79274387553496,26.345524513703833,82.62195453223212,0.9867334016172,0.6960029559130647,52.61345410187591,0.5647307220531789,0.175926163443813,0.9861180915249009,0.010584577488074563,0.5119415209039911,0.24982691325461248,0.1102394723626416,53.3541109873729,39.06786795964401,97.64917345396087,0.9791771372873513,0.8720079065212453,54.78328152093731,0.882045341266724,0.3438908190472385,0.9781118856669134,0.01574821748602968,0.5550281114057174,0.6085268886289215,0.4212281878566363,56.00921768125127,67.46413309202175,140.09061535975184,0.9671678285003701,1.5847831878912753,52.28047133550765,0.6457906015603669,0.2304654828259992,0.983515612662445,0.012148802849715661,0.5055108966665844,0.3277338886885604,0.18918558480654415,53.15672741989401,45.95991354511869,106.89767122425107,0.9752734189936675,1.022430370161689,54.66622229007246,0.9379094321847544,0.37993047100538935,0.9764604451416757,0.01675315072612982,0.5526730558585259,0.6894872074760772,0.5141436955881815,55.9840621932626,72.39766946285032,147.86151366085107,0.9646906677125135,1.7563039589227847,54.677056341122956,0.8865200629079829,0.3454484600701825,0.9779647646158607,0.015856475140871445,0.5528685654947169,0.6136455681325493,0.4250527054921565,55.90902486410112,67.66665933192006,140.32036815278056,0.9669471469237911,1.5915668391194226 +UMLCN0146,L,ethyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC,Esters,,C18H36O2,NREL (2014),Blend,PubChem,,80,0,-3.3962999999999983,11.534853689999988,64.5809,57.288547999999956,0,0,56,20,36,0,18,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3145.268483999997,3320.573071000002,3824.866743000003,3608.474837999998,3450.0301729999987,3105.514878999998,2866.4735579999983,2669.7168289999986,2472.960099999999,9175.10058493016,11814.977123555414,15637.262151445453,16364.384223544821,15662.752863231235,14789.046857290512,13722.710087044572,12715.911742089442,11709.113397134312,404.29742399999975,406.98466000000025,772.1196360000013,1045.1942880000033,968.1155960000028,945.7771000000026,894.7894800000026,831.9045800000022,769.0196800000017,67.492672574564,88.72801515999993,128.16796681382877,141.52214748233604,134.8658947578459,129.0453341238457,121.08717873554366,112.06564987614769,103.04412101675175,9310.236454097965,8001.151400349403,16600.878911924614,24220.95021265521,22212.91760733949,21811.719104104843,20886.7170311233,19407.76187608472,17928.806721046138,141.77777777777777,117.5,208.58333333333331,244.74999999999997,240.8333333333333,229.08333333333334,201.83333333333334,189.58333333333334,177.33333333333334,56.16550864285709,60.374055836363674,36.08364851886795,24.715581082191765,25.55577905925925,23.526627871212106,22.74979014285713,22.818092555555545,22.897778703703693,163.84108187375287,214.8177658828257,147.5213410513722,112.08482344893713,116.02039157949064,112.03823376735237,108.91039751622677,108.6830063426448,108.41771664013251,7.219596857142853,7.399721090909096,7.284147509433974,7.158864986301393,7.171226637037058,7.16497803030305,7.10150380952383,7.110295555555574,7.120552592592609,1.2052262959743572,1.613236639272726,1.209131762394611,0.9693297772762742,0.9990066278358956,0.9776161676048916,0.9610093550439973,0.9578260673175016,0.9541122316365902,166.25422239460653,145.4754800063528,156.61206520683598,165.89691926476172,164.54013042473696,165.2402962432185,165.76759548510555,165.87830663320275,166.0074696393161,2.5317460317460316,2.1363636363636362,1.967767295597484,1.6763698630136985,1.7839506172839503,1.735479797979798,1.6018518518518519,1.6203703703703705,1.6419753086419755,0.3160031009139329,-0.16224935336203788,0.03646746226524879,-0.02590752580592981,0.0037674497179594714,-0.015409107154231697,0.0023812993101741745,1.1663459905837496E-4,2.9937891479826003E-6,1700.0694437142863,-20.39722771938434,-480.17084531632213,88.8714476020422,-108.74455959693674,-220.47682911224328,10.929847500000513,9.4579585969392,7.986069693877916,2734.480695057914,-154.96821050762654,-1141.3438796251612,235.407810900442,-157.0648165761886,-212.50566875426074,7.944749542088083,7.748608269545137,7.552466997002419,2.254525714285717,0.056015102040809284,0.8285140408163197,-0.17787918367346855,-0.17936334693877565,-0.3222386122448977,-0.032485714285709,-0.044211510204077334,-0.05593730612244571,12.153614781201446,-1.043563710881444,-5.282500874822388,1.1495310210975622,-0.6625971058872206,-0.4843255872715768,-0.030673385082212498,-0.03112888129062695,-0.0315843774990414,66.83411720795125,-6.2619628486299215,-28.562571079592953,6.321074004728061,-3.606438017977443,-1.9408913419233205,-0.3010773404767444,-0.3084057032539067,-0.3157340660310619,42.22222222222233,0.6111111111111072,12.138888888888879,-1.027777777777763,-1.1666666666666572,-6.916666666666686,-0.8333333333333228,-1.0833333333333228,-1.3333333333333237,0.00564291251632023,-0.0029499882429461434,3.4403266287970553E-4,-1.774488068899302E-4,2.7907034947847935E-5,-1.1673566025933104E-4,1.889920087439821E-5,9.968769150288459E-7,2.772026988872778E-8,30.3583829234694,-0.370858685806988,-4.529913635059643,0.608708545219467,-0.8055152562736054,-1.6702790084260855,0.0867448214285755,0.0808372529652923,0.07394508975812884,48.83001241174846,-2.8176038274113915,-10.767395090803408,1.6123822664413836,-1.1634430857495452,-1.6098914299565208,0.06305356779434987,0.06622742110722339,0.06993024997224462,0.040259387755102086,0.001018456400741987,0.007816170196380375,-0.001218350573105949,-0.0013286173847316715,-0.0024412016079158917,-2.578231292516587E-4,-3.7787615559040457E-4,-5.179380196522752E-4,0.21702883537859724,-0.01897388565238989,-0.04983491391341875,0.00787350014450385,-0.0049081267102757085,-0.003669133236905885,-2.4343956414454363E-4,-2.66058814449803E-4,-2.924479398059389E-4,1.1934663787134152,-0.11385386997508948,-0.269458217732009,0.04329502742964425,-0.0267143556887218,-0.014703722287297882,-0.002389502702196384,-0.002635946181657322,-0.0029234635743616844,0.7539682539682558,0.011111111111111039,0.11451781970649885,-0.007039573820395637,-0.008641975308641905,-0.05239898989899004,-0.00661375661375653,-0.00925925925925917,-0.01234567901234559,-0.5227775965716804,0.06096721540245512,-0.031446315422526766,0.004945501966783324,-0.020687129194668946,0.00334919260572242,1.766599982093846E-4,4.912404686153862E-6,-0.012216022399542411,-0.14921458914590824,0.020050756548988906,-0.02653353633176816,-0.05501870809906773,0.002857359749603625,0.002662765443372769,0.0024357387527701125,-0.0577022959497237,-0.22050772791146744,0.03302031244320236,-0.0238263934061508,-0.03296930208375663,0.001291287154765892,0.001356285158168199,0.0014321161621376006,0.025297364354799897,0.19414528218675728,-0.03026252114207939,-0.03300143044433892,-0.06063682892461566,-0.006404049927932267,-0.0093860383046316,-0.012865024744114165,-0.08742564378272953,-0.22962346835840472,0.03627859003513923,-0.022615090302234252,-0.01690620156766378,-0.0011216922567910113,-0.0012259145840490511,-0.0013475072991834304,-0.09539763499481789,-0.2257778036633854,0.03627670473324712,-0.02238383599672117,-0.012320181405653706,-0.0020021533449248266,-0.0022086472050422854,-0.002449556708512599,0.014736842105263026,0.15188679245282968,-0.009336697909156295,-0.011461988304093446,-0.0694976076555024,-0.008771929824561271,-0.012280701754385816,-0.016374269005847795,1.6066008321155598,0.9736709917450933,1.0335799369509908,0.9573464129216039,0.867974203776134,0.7285446343861947,0.7680769088525151,0.8117472617851341,1.2958555229290065,1.2582639292552462,0.9441338807902263,1.0086421946790771,1.0274844200728428,0.9276905345152687,0.9320995247912974,0.9372433467799973,1.500821147198537,1.392613296729622,0.9312650345175961,1.017700277815869,1.0102591071722506,0.9665108908158043,0.9634544279571147,0.9598885546219768,0.7378864607570284,0.7188470046424968,0.9791661849220266,0.9591885537417302,1.0046396095557193,0.715746359069502,0.7609138446235625,0.8136092444366326,1.5835431247212408,1.4239646375161052,0.9260713030521268,1.0180909888563174,0.9941242366562865,0.9681853667034497,0.9648068892509816,0.9608653322231023,1.597131980567743,1.4228982515780215,0.9252181214635941,1.017267695984749,0.9889777138203065,0.9646569686824299,0.9619570293109274,0.9588071000441747,0.5901315789473669,0.49736221449850915,0.8238103821196806,1.1253289473684183,1.2072368421052602,0.7012844611528803,0.7496626180836689,0.8061038011695886,259.16199645103137,129.83099822551557,208.00903662542603,259.6119964510312,12.980599822551556,129.83099822551557,0.4999999999997726,0.11893125413207023,0.005946562706603512,-4.258419298341212,206.49073613884434,10.324536806942216,10.660511100163372,259.1791903000538,129.83886072912563,208.0183583547147,259.62786834243144,12.981393417121573,129.83886072912563,0.49853115819746563,0.11882483686845885,0.0059412418434229425,-4.260209658710446,206.390462871442,10.3195231435721,10.659539651043247,274.6519474753096,136.92697925959666,216.55003355758222,273.933757414805,13.696687870740249,136.92697925959666,-0.797988956116285,0.02299729225566549,0.0011498646127832747,-7.544757595996035,170.786793501966,8.5393396750983,10.280831913895907,259.19723622347817,129.84711291195805,208.0281424113819,259.64452686387233,12.98222634319362,129.84711291195805,0.49698960043795637,0.11871314643379238,0.005935657321689619,-4.262090460110625,206.28555664169753,10.314277832084876,10.658522812389737,291.5094727970562,144.672442134189,226.18870034546134,289.56134312124584,14.47806715606229,144.672442134189,-2.1645885286781947,0.08237338952700035,0.004118669476350018,-4.9929856737148075,175.69527261866264,8.784763630933131,10.337502177694743,260.9659429167882,130.65610564427234,208.98894016834947,261.27758445136897,13.063879222568449,130.65610564427234,0.3462683717565085,0.10776842283811705,0.0053884211419058525,-4.455541173994702,197.4377761806219,9.871888809031095,10.570846954773776,269.6423826649897,134.95556618340595,218.83401447520794,270.46664192424885,13.523332096212439,134.95556618340595,1.1775132275130318,0.18065291984632315,0.009032645992316157,-3.4223553170340844,331.0905251996882,16.55452625998441,11.604783656029504,0,11.889999999999997,15.99592369598481,-0.3159695471333352,0.2615116570967786,4.1932655514071,7.627470320386299,19.0,55.0,54.0,54.0,18.0,1.0,1.0,0.0,0.0,1.0,42.22945199999999,3.5786493476874863,3.5211964456747467,3.4166467927939608,3.269767256394603,3.1054502763855214,2.967711215583606,2.787381294693782,2.552039617549526,1.9521295151715619,1.8921565013008852,1.7970265202897782,1.6855023035023,1.6323913421676488,1.5079816344341486,1.3482613646508945,1.1861290594597589,3.578245476952256,3.5114143831482614,3.402600985733096,3.2613771514590324,3.120472196599322,2.98507868833098,2.791779054626646,2.5630253389095374,1.8953737779088093,1.8381398167280218,1.7494108600166918,1.6505846052609667,1.5637665944823045,1.43682838293214,1.2792246029033194,1.114953206381065,3.7044513354684145,3.6517836408025777,3.559349932381693,3.435070686652022,3.302380621879887,3.169904641852265,2.999800301131466,2.800777133900253,1.7211757118353832,1.6539332284642307,1.5473156118650961,1.4174545809240224,1.3163005832391108,1.1879090793905158,1.0026502481152277,0.802236140871512,3.5968284598070794,3.5260082517064366,3.412521192374972,3.268609821564364,3.1388869605693412,3.0093814779780406,2.811175004281811,2.5843691535727205,1.8607971877149032,1.8091898301167517,1.726802670269624,1.624962638438913,1.5183345761004452,1.3923528474286715,1.2379256757502894,1.0708185190333985,3.758315687924517,3.69987195744279,3.6066689272216905,3.4913386161145485,3.3775078535271574,3.246316286468732,3.0765715153703845,2.8888472231607207,1.667694921848187,1.6014392980443803,1.4958592019884158,1.3646172087883377,1.2456131596352742,1.1136232844086544,0.9270251357511039,0.717819492950666,5.1459004051868416,3.6035635394108687,3.5338687420998176,3.4951997540103505,3.397404486991801,3.2280300513025795,3.0233850970582825,2.8074046888955144,1.8201841455434353,1.744032985088493,1.6231937762176192,1.4674492514786013,1.3321759124652126,1.2673926937688542,1.0794842463854473,0.883219587389791,0,0,1,0,0,3,14,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.49279927982674443,0.348461712529338,0.08333333333333333,0.10059223176554563,0.07112944921610614,14.891058768174391,9.808060412490448,6.925162671831452,4.581951230073507,3.147703079917265,1.8966380477393472,1.252737277364589,0.8233190238696736,0.7445529384087195,0.5162137059205499,0.3644822458858659,0.25455284611519485,0.1851590047010156,0.12644253651595647,0.08948123409747065,0.0633322326053595,13.923098298725943,8.964690378025045,5.797661856939652,3.7897794361340935,2.520260941627324,1.6154269355176074,1.0538909929675853,0.6827134677588036,0.6961549149362971,0.4718258093697392,0.3051400977336659,0.21054330200744964,0.1482506436251367,0.10769512903450716,0.07527792806911324,0.052516420596831044,29.182498676979392,54.64238892935186,51.756862745097976,52.48000000000005,33.33445988023957,430.8176335329342,0.5211160478032034,0.9757569451669975,0.9242296918767495,0.9371428571428579,0.5952582121471351,7.6931720273738256,6.030800000000007,86.94500000000006,133.5282385426121,212.27380665791952,267.0564770852242,13.352823854261208,133.5282385426121,0.06982807359516224,0.0034914036797581123,-5.32343829914199,180.66873718478382,9.033436859239192,10.393330346276498,517,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,15.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.032173683651706,-0.03187685090731662,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.838790689629384,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.133381776967777,0.0,18.5329880569545,0.0,0.0,0.0,0.0,0.0,0.0,-0.03187685090731662,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.122179194231935,4.909994489419771,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.909994489419771,-0.03187685090731662,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2087620296280277,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8628076915163763,0.0,0.5111882716049383,0.0,0.0,0.0,0.0,0.0,0.0,-0.03187685090731662,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.122179194231935,4.909994489419771,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.122179194231935,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2705740854514014,0.0,1.4322416721455182,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.122179194231935,4.909994489419771,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,38.66666666666667,1.9333333333333336,0.5559027777777779,11.122179194231935,0.14135992560922284,-0.03187685090731662,10.72301580708008,1.6985435175739834,4.122179194231935,11.605495538206211,1.6985435175739834,4.122179194231935,11.605495538206211,9.66666,0.48333,0.0,0.01667,0.47024,0.77667,0.42903,0.47024,0.77667,0.04121,0.0,-0.04121,0.0,0.62232,0.09197,0.0,0.13793,0.05172,0.0,11.75,0.5875,10.25,0.5125,1.5,0.075,-8.75,-0.4375,0.0,0.0,24.48474,1.22424,28.28647,3.80174,0.19009,8.72862,0.43643,9.80805,1.07943,0.05397,0.10595,0.0053,0.10595,0.0053,0.0,19.02,2,2,2,2,0,0,0.9444444444444444,1.1077843849525173,1.5890867722762212,2.5970878598967904,3.1975942858553137,3.5603986727874504,3.7550581039460544,62.03592555734097,88.98885924746838,145.43692015422027,179.06528000789757,199.38232567609722,210.28325382097904,0.19075541271722687,0.2736334860885671,0.4472066706363137,0.5506111351503851,0.6130843939405661,0.6466038591310344,4.699570537105087,4.218268149781384,3.2102670621608143,2.609760636202291,2.2469562492701542,2.05229681811155,0.19075541271722687,0.2736334860885671,0.4472066706363137,0.5506111351503851,0.6130843939405661,0.6466038591310344,9.474970853405472,15.393275023432778,18.774830658956557,20.85699627875718,22.42450696657241,22.461124651928603,74.34121964820336,58.488353203001836,52.574259788475345,45.344815468217185,39.883776802779394,38.488662002658245,20.0,17.05263157894737,17.0,20,3,16,3.2199999999999998,2.7191999999999994,0.055555555555555566,4.095705960086081,0.29814239699997197,0.0,24.20292801121198,2.6709271078585157,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,9.346,19.0,18.0,17.0,15.0,14.0,13.0,12.0,11.0,10.0,168.0,3.044522437723423,3.091042453358316,3.044522437723423,2.995732273553991,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,5.204006687076795,1.0773809523809523,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.0,0.8421052631578947,18.0,0.9473684210526315,2,9.0,18.0,1.0,1.5,0.666666666666667,0.375,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.07894736842105263,0.03508771929824563,0.020833333333333332,0.009411764705882356,0.0074074074074074086,0.0058309037900874635,0.004807692307692308,0.004115226337448559,0.0036363636363636372,0.003305785123966942,0.19324850241354502,133.5282385426121,212.27380665791952,267.0564770852242,13.352823854261208,133.5282385426121,0.06982807359516224,0.0034914036797581123,-5.32343829914199,180.66873718478382,9.033436859239192,10.393330346276498,26.3,334.8281766667237,5.321928094887363,4.343805421853684,5.017279836814924,5.713732805509369,6.398594934535208,7.10085190894405,7.790282380703483,8.495152060539358,9.186969385652942,9.8933867103567,102.94005544490972,3.6635616461296463,0.0,4.74493212836325,0.0,5.958424693029782,0.0,7.234898420314831,0.0,8.546557800046141,8.866863661202087,284.2715303920008,5.076277328428586,38.6515746470258,1.9325787323512897,5.316464402568959,5.316464402568959,0.0,1285.0,18.0,8.313999999999998,76.0,1.243090909090909,2.1438583192287415,2.8673888483906347,3.637487715387199,4.935873986287061,5.934504624978519,7.2515738519198605,8.359782318856292,9.659234431896097,10.80578997433328,86.49415697072726,85.54622570685994,84.28524463116297,117.0613477639481,136.58442019671472,160.02852053222628,188.36317688923222,216.96390352087357,245.94415524208404,275.3461263331555,292.8504262569539,337.0947560985709,354.70589504224284,494.6639838205473,609.7730061382999,722.1454855046304,853.4255403678438,982.5378712920464,1112.3078587355883,1239.4098080662782,9.244450539490915,15.683386102076383,20.586259534778453,26.2548632651752,35.48919362970825,42.36154603173927,51.73841537840778,59.74665977652671,69.0882559414979,77.4542546484287,2.1422923333287263,2.713562351995075,2.9680698683340814,4.096693158013814,5.17047821960864,6.182739276380719,7.346623976653029,8.455187041831579,9.592505653347418,10.676227654251893,178.70297182834102,332.50337459528896,471.8217347172531,583.6978331206589,806.0445101103858,968.5389718931754,1191.1453123437502,1372.6720377948225,1592.4527035806907,1782.604386748743,2.7301469696969694,4.358949020799876,4.908010866436405,6.723146416353019,8.73755584903788,9.814707033094717,12.011026674414902,14.039539023076092,16.386904527782104,18.667368776523762,0.4583724545454543,0.5958139451755825,0.6564819312552344,0.901205750308747,1.1411348449552121,1.3571058750509664,1.6191225044958835,1.8687435054212773,2.1293132784939828,2.379724188648402,741.9511150955461,1018.555379752733,22.05390195058242,256.4584921197368,-352.0679078677483,-22.914501946220756,485.49262297580935,1370.6232876204813,44.96840389680318,0.7431329884384437,1.0201778632655985,0.02208903218799559,0.25686701156155606,-0.3526287260493411,-0.022951003055882848,740.7711213954856,1016.9354766259397,22.01882758404536,256.0506223842902,-351.50798160734513,-22.878058887660107,0.19044229909633736,0.23010718770659885,0.9343079440347658,2.319829774933652,953.9464745831785,44.46313263210458,0.9554660408806371,0.04453395911936289,1330.9634203830644,36.482371364579144,10.999899228782246,1679.6967193274197,40.98410325147324,11.88712851460004,2370.6838461853395,48.68966878286747,13.333921074578035,4.584713117317274,4.584713117317274,13382.356545362329,13285.463508140732,153.57323050237392,1.007293161970768,87.13990388549823,86.50897988328354,8.158757392699014,11.837186512466078,23.32067988410459,0.9701201682971641,10.053645981267557,15.67523607317058,6.796076362128876,70.87539201993978,29.118169607467934,1.753403234659015,13.57900977083025,9.834641317947986,53.623400748558,1.776053718320561,4.078946811668301,49.11539954478071,4.216870644295769,55.188795351638504,3.35996262432085,7.139755985749705,26.996489898037638,3.005336445911072,46.81581205905536,3.1703220599856063,9.206841064730142,18.176717712171506,3.6190739621644483,33.555606132624156,3.4708867046794056,11.437214959449237,10.94620888137112,3.612254280213881,18.031684881578084,4.284183359971901,0.8602403612018851,15.825695940563572,0.5518902739715512,15.54016515154512,0.3662015888377428,1.6751176919320336,2.0257723657887357,0.5491557312904963,14.25166329665384,0.039241248261416915,2.7301199083835144,4.143039820955989,0.3157250436961444,11.898821154185455,0.073530388554598,2.916272939520824,1.1762822995950157,0.3684504066499078,8.693460213246317,0.10613429714161371,3.029042159254361,0.5227071307021042,0.49057875524911326,5.56512438430979,0.1498459108073954,2.980166231707824,0.2742888148637996,0.6523181956045494,2.91529788274595,0.19853998952027627,2.729543312296035,15.544648141930379,1.547739774008953,19.223147386766534,2.326699603486074,1.5285622064618665,4.001946660848056,1.4757344391242824,18.583703333105127,0.19903288753383513,2.4873249996393154,11.245145875882569,0.6849708942799771,18.196520335065436,0.3747173553696536,3.0598061367931297,4.107903524379776,0.6034029642254364,14.514336365333548,0.4479959491225657,3.619555491110878,2.139337690799099,0.7592776721089606,9.749606875737223,0.5769198384632999,3.8165809659740004,1.2719834696465289,0.9385083700123875,5.143614444313062,0.7469965694221009,9.49493680137888,15.825744713009133,6.874569561564226,66.41932794975203,26.496160646724356,1.8315288864779526,13.140266756627138,9.466445804246243,51.385767956313764,1.6008386998197046,4.135771693180169,45.993088467171454,3.8283383579659946,52.36819002408372,3.028001824797854,7.095309274690796,25.14951780833675,2.7375642732557437,44.13590430003868,2.882404839949403,9.241712936388968,16.84581254344697,3.2985783457742595,31.47269574432737,3.1788426995823995,11.457544168994716,9.95919664905235,3.3222204004341473,16.889261668683652,3.9330591017833405,4.01526288645413,15.437890548213224,2.172359578017373,23.723450355120534,4.700953389879802,1.4834512688959978,5.403292818451242,2.2618596880093977,22.436390011444008,0.3665438541070891,2.490647470911327,16.75534140155596,1.0650450897595627,23.188017466901112,0.6912276965739649,3.3837179771689923,6.681089316482414,0.854786534158573,19.054976209317665,0.7668812719653976,4.207339216729889,3.7247666573268403,1.0536206302546445,13.058266902362831,0.9445667373091027,4.594401188183768,2.2861758165127783,1.229444924345982,6.918968213764258,1.2082687460981845,12.141256551041907,15.770940194304211,8.832245003210796,96.2687141458814,42.458671971721934,1.8668908712600776,16.783825541055595,13.736888250416047,68.47920109655773,2.503013902516802,4.854603553238529,62.39464113063145,5.831677057456182,69.02828925925645,4.737541033204153,8.780239694414403,36.95294174130046,4.120920513960249,58.64328457400589,4.350266932276668,11.16590707067415,25.69300527642541,4.959018695397063,42.43024986509815,4.652943030922356,14.302363918938493,15.407361530712304,4.823341417743836,22.881078047802923,5.698921013928156,6.5552861073257676,15.661251260808365,5.359476601303201,46.640774816026465,14.468143111402261,2.1800348593412355,10.162138791534153,8.421309880638782,40.9981631075374,0.7963225321798549,4.0810859715887435,30.70469004565804,2.078692648106256,38.621066897513096,1.5046166102409257,6.309031558762626,17.103452041279606,1.5788748554681555,30.94087260084809,1.5173133393953435,8.251153325614,11.327003942289911,1.9421113685086437,21.42852298539713,1.750536097301021,9.779381042467417,5.525807588009411,2.12821870516665,11.640154436777099,2.196793045846766,47.52509153837432,0.8298178867890962,0.5021438625000002,0.972737575034526,0.016984607767956163,0.5386373670802553,0.6422493394554748,0.6071330385125958,48.85705328766341,63.718292019421355,132.37847869407778,0.9591063625517889,1.788019745048326,47.385250889985144,0.44461041486662367,0.09963659379929996,0.9886448422677667,0.009276342009815563,0.5356143303346745,0.18112958399444523,0.02390370901242305,47.92949789865107,25.833580519063716,75.8622197902551,0.9829672634016502,0.7406476233415428,46.5440686701742,0.5622777500900735,0.2610507845132404,0.982618244125935,0.01187056463455758,0.5166464056124895,0.2946717328534992,0.16408827683264363,47.36739720477751,38.46784290046589,92.6671203605169,0.9739273661889025,0.9754064152986323,47.789160033658234,0.8261318583367796,0.48575912994241804,0.9732818145238262,0.01682513594195121,0.5446463688840704,0.6366032871478194,0.5681584797831395,49.10105102193743,63.09546947831202,131.3743626420893,0.9599227217857395,1.7494081358150293,46.41435042772142,0.6273321256613773,0.33681957539912627,0.9796500172496,0.013240860252529593,0.5137548636862622,0.3670878475710355,0.2731632033542612,47.378502128781925,44.96177265870542,102.14752214569242,0.9694750258743999,1.1540059146115589,47.74733713091331,0.8668647700304284,0.5314904055716946,0.9715467397044534,0.017638672472531328,0.5436870254522609,0.7008848175954103,0.680171463271906,49.145692306515436,67.22846630643133,138.37280396496766,0.95732010955668,1.9247433063195774,47.828740777128544,0.8338130892549707,0.4885212709024105,0.9730965323451437,0.01696428993518478,0.5455535587560223,0.648334281765712,0.5746382163966899,49.15107513728593,63.65292276271543,132.28633859358098,0.9596447985177157,1.768526056918424 +UMLCN0147,L,2-methoxyethanol,COCCO,Ethers,Alcohols,C3H8O2,NREL (2014),IQT,PubChem,,15.5,0,-0.48889999999999945,0.23902320999999946,19.3048,12.218344000000002,0,0,13,5,8,0,3,0,2,0,0,0.0,0.0,0.0,0.0,0.0,952.8568770000002,821.6326959999998,707.0968029999998,543.479002,276.9549330000002,66.58444800000001,3.0481920000000002,0.0,0.0,1952.0022146241447,2216.875353195891,2332.1731242864857,1842.8843660242471,1207.0961700013231,547.2799748325006,93.25123329279079,0.0,0.0,103.07269199999998,96.93676,163.08694000000006,141.79348000000002,108.84092399999999,75.84191999999999,20.155392,0.0,0.0,13.210011238792003,15.136498156,17.001741976245,14.920119233094002,10.998732774792003,5.385525697094,1.3338387145469999,0.0,0.0,2230.6268560689923,1843.8664520214504,3419.971948478795,3081.2239470999943,2583.4815598696423,1818.1812899468441,554.7529560727469,0.0,0.0,64.75,41.5,59.25,59.0,32.0,26.0,3.0,0.0,0.0,73.29668284615386,68.46939133333332,35.35484014999999,30.19327788888889,18.463662200000012,6.658444800000001,1.016064,0.0,0.0,150.1540165095496,184.73961276632426,116.60865621432428,102.38246477912485,80.47307800008821,54.72799748325006,31.083744430930263,0.0,0.0,7.9286686153846135,8.078063333333334,8.154347000000003,7.877415555555556,7.256061599999999,7.584191999999999,6.718464,0.0,0.0,1.0161547106763078,1.2613748463333334,0.85008709881225,0.8288955129496668,0.7332488516528002,0.5385525697094,0.44461290484899996,0.0,0.0,171.58668123607634,153.6555376684542,170.99859742393977,171.1791081722219,172.2321039913095,181.8181289946844,184.91765202424895,0.0,0.0,4.980769230769231,3.4583333333333335,2.9625,3.2777777777777777,2.1333333333333333,2.6,1.0,0.0,0.0,0.37703701760563946,-0.12290391647619833,-0.15627493008492974,0.12991640105352573,-0.036276415103110846,-0.03613598633744441,0.033156338145337756,0.0,0.0,507.43772123076934,-32.682717136094425,-213.04843966272176,-93.93774462721893,51.959128118343024,-36.44457986982262,70.4354925621301,0.0,0.0,534.223548632559,-133.6677729260657,-84.38209399813184,-116.0106504249578,-34.66148464846225,30.52102491814961,71.08920276318835,0.0,0.0,1.812420923076922,-0.2234303905325439,-1.0347943431952653,0.35121595266272204,0.15078631952662613,-0.2686991715976331,0.11871117159763268,0.0,0.0,2.228247827843076,-0.9966185753037636,-0.034186961481579986,-0.059046372163183564,-0.4963969628380114,0.28114336731071027,0.19098159055429004,0.0,0.0,12.658920449919988,-6.22835087749397,-0.06314864197300052,0.6761228117380005,-3.2336883858460013,1.6559310645399856,0.863673804074994,0.0,0.0,25.807692307692317,-3.899408284023669,-10.646449704142015,2.1508875739644973,4.241124260355031,-6.352071005917162,1.6020710059171601,0.0,0.0,0.029002847508126112,-0.010241993039683194,-0.007813746504246486,0.007217577836306985,-0.002418427673540723,-0.0036135986337444406,0.011052112715112585,0.0,0.0,39.033670863905336,-2.723559761341202,-10.652421983136088,-5.218763590401052,3.4639418745562014,-3.6444579869822618,23.478497520710032,0.0,0.0,41.09411912558146,-11.138981077172142,-4.219104699906592,-6.445036134719878,-2.3107656432308166,3.052102491814961,23.696400921062786,0.0,0.0,0.13941699408284014,-0.018619199211045327,-0.05173971715976326,0.019511997370151225,0.010052421301775076,-0.026869917159763314,0.03957039053254423,0.0,0.0,0.171403679064852,-0.0830515479419803,-0.0017093480740789993,-0.0032803540090657534,-0.033093130855867424,0.028114336731071027,0.06366053018476335,0.0,0.0,0.9737631115323068,-0.5190292397911641,-0.003157432098650026,0.03756237842988892,-0.21557922572306676,0.16559310645399855,0.287891268024998,0.0,0.0,1.9852071005917167,-0.3249506903353057,-0.5323224852071007,0.11949375410913873,0.28274161735700204,-0.6352071005917163,0.5340236686390534,0.0,0.0,-0.35313749923394794,-0.2694130809761768,0.24885755904777074,-0.08338587005510821,-0.12459461550221822,0.3810699177732796,0.0,0.0,-0.0697746253699058,-0.27290341255058453,-0.13369902125261995,0.08874240618141116,-0.09336703175289397,0.6014934542684977,0.0,0.0,-0.2710602225863999,-0.1026693062093199,-0.15683597244229006,-0.056231054282225613,0.07427102847704065,0.5766372762157971,0.0,0.0,-0.13355042786234503,-0.3711148522469223,0.1399542250821833,0.07210327096711058,-0.19273057303041183,0.28382759786824774,0.0,0.0,-0.4845377205150717,-0.009972645181275563,-0.019138177353968024,-0.1930712983316208,0.16402411479413892,0.37140702307023915,0.0,0.0,-0.5330138651221069,-0.0032425053498704765,0.03857445202538123,-0.2213877514664042,0.17005481568656097,0.2956481557120954,0.0,0.0,-0.163686040735221,-0.2681445603576751,0.0601920847822487,0.1424242424242424,-0.3199701937406856,0.26900149031296566,0.0,0.0,1.2666635826341615,1.431476469099639,0.7640641883069741,0.6170686120519536,0.9982144976087899,0.3930593600015101,0.0,0.0,1.1034896787764588,1.3067114293193254,1.0676623028456653,0.6668517018783298,0.9403198288899042,0.0,0.0,0.0,1.6497636452164581,0.9988319918974877,1.0510915174771984,0.9310956097577928,0.5340114958496299,0.0,0.0,0.0,1.0392861702358838,1.5993662195638718,0.8558850652454992,0.45704349881026124,1.1279657909319083,0.0,0.0,0.0,2.0921198284791074,0.8976024844563452,0.9142713487134927,1.0418637073618604,0.28576724818530547,0.0,0.0,0.0,2.1702375276968917,0.9113389588121875,0.8637654371413982,1.0393914100124353,0.259172147266186,0.0,0.0,0.0,1.075260804769001,1.24381520119225,0.929955290611028,0.38748137108792835,1.7669150521609533,0.0,0.0,0.0,13.341368468782662,6.9206842343913335,11.217169579322935,13.641368468782666,2.728273693756533,6.9232579263899545,0.5000000000000044,0.03244741651160177,0.0064894833023203535,-1.7140672267179478,17.166412023407123,3.4332824046814245,1.4214773426518137,13.350847288755839,6.924689223476615,11.223859776581284,13.649965983674273,2.7299931967348545,6.927251262188672,0.498531158197391,0.0323316337153039,0.006466326743060779,-1.7158545780172718,17.19094334458096,3.4381886689161916,1.4221913477048747,21.761802249228715,10.481906646556336,17.28329749208527,21.28300887555909,4.256601775111818,10.481958600670403,-0.7979889561160451,0.03237723686570326,0.0064754473731406526,-1.7151498344861345,18.212223150415078,3.6424446300830153,1.4510464851652147,13.360795555240927,6.928892577839401,11.230881852755955,13.658989315503653,2.7317978631007307,6.931442443880388,0.49698960043787377,0.0322102706825409,0.00644205413650818,-1.7177349559970445,17.216797807998734,3.4433595615997468,1.4229427619918265,30.671283872063906,14.253347671692797,23.81503446211675,29.372530754856918,5.874506150971383,14.25334868692223,-2.164588528678312,0.06197488297578402,0.012394976595156804,-1.3905130446557055,14.902438538733263,2.9804877077466525,1.3507624299390966,14.334344203304639,7.34030628753062,11.920577948386617,14.542105226358599,2.9084210452717194,7.34190936197612,0.34626837175660174,0.0210583274405044,0.00421166548810088,-1.9302295971048071,20.466034849217486,4.093206969843497,1.5093833377245376,10.46442950035739,5.751769073949487,9.489781227876628,11.027347671708496,2.2054695343416992,5.762763433269222,1.1904761904761925,0.08445851359320611,0.01689170271864122,-1.2357474142875047,10.74947216997136,2.1498944339942723,1.187428326450212,0,11.996548717499214,15.998257667556482,-0.4183260426905464,0.09203004418400038,3.5897509439070303,5.204007247594987,4.0,12.0,12.0,12.0,4.0,0.0,0.0,0.0,0.0,0.0,10.661655999999999,3.316951452495328,2.769651672343694,2.0778623642630256,1.2819562981124208,0.762256786391462,0.08392307051869141,0.0839230705186914,0.08392307051869102,1.639862511278966,1.359182257776477,0.820862389428319,0.389021186165381,0.08392307051869088,0.08392307051869102,0.0839230705186914,0.08392307051869141,3.2141833834865348,2.6875126617786345,1.974865066009165,1.194617039597108,0.5176258811075009,0.27091390189293746,0.27091390189293735,0.270913901892937,1.6546224561906766,1.3053128043440434,0.7844128081106831,0.3312021469280769,0.27091390189293696,0.270913901892937,0.27091390189293735,0.27091390189293746,3.4600643268819047,2.995780283303657,2.3944987075618687,1.7713294815199438,1.1528615351816043,0.9439184268026226,0.9439184268026223,0.943918426802622,1.3696298649016903,0.9498274659072745,0.3090111296357122,0.2909333976635755,0.9439184268026217,0.943918426802622,0.9439184268026223,0.9439184268026226,3.200134431244745,2.6969073487461857,1.9742077536339462,1.207437726002373,0.4436461038858394,0.3992772455089822,0.39927724550898214,0.3992772455089818,1.659371290866977,1.277131007826132,0.7583929826633015,0.26985005820458174,0.39927724550898164,0.3992772455089818,0.39927724550898214,0.3992772455089822,3.494939080993401,3.0700666888523553,2.488526971808243,1.9280446800592546,1.2085945586945797,1.207644822962088,1.207644822962088,1.207644822962088,1.3262699783515521,0.8622604203487507,0.2039834529633645,0.45169330949460146,1.207644822962088,1.207644822962088,1.207644822962088,1.207644822962088,4.287089953639915,3.4955100714229372,2.6304616588696548,1.848005984703551,1.3201477703098596,0.6000000000000006,0.6000000000000004,0.6,1.404318826533203,0.9803658051747823,0.40682969308346756,0.31029888584553267,0.6,0.6,0.6000000000000004,0.6000000000000006,0,0,0,0,0,2,0,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.121320343559642,2.414213562373095,1.3535533905932737,0.7071067811865475,0.35355339059327373,0.0,0.0,0.0,0.8242640687119284,0.6035533905932737,0.45118446353109126,0.35355339059327373,0.35355339059327373,0.0,0.0,0.0,3.269675448336916,1.513151191075514,0.7164060775767234,0.29541123814945924,0.09128709291752768,0.0,0.0,0.0,0.6539350896673832,0.3782877977688785,0.23880202585890778,0.14770561907472962,0.09128709291752768,0.0,0.0,0.0,6.5969094239772055,13.212672978878366,12.600000000000005,12.840000000000005,7.154697005988021,101.67936766467066,0.5074545710751697,1.0163594599137205,0.9692307692307696,0.9876923076923081,0.5503613081529247,7.8214898203592815,-0.37489999999999996,18.961800000000004,8.288215751900175,13.524283729399965,16.576431503800354,3.3152863007600706,8.288774052044314,2.220446049250313E-16,4.4408920985006264E-17,-18.021826694558577,2000004.2294850536,400000.8458970107,7.254329926632255,24,1.0,0.0,2.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.798888888888889,0.0,12.382222222222222,0.0,0.0,3.5478433641975315,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.798888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1222222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5518055555555557,0.0,0.5659722222222221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.94125,0.0,4.440972222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.798888888888889,0.0,4.440972222222222,0.0,0.0,3.5478433641975315,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.798888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5611111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5518055555555557,0.0,0.12152777777777768,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.94125,0.0,4.440972222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.798888888888889,0.0,7.94125,0.0,0.0,3.5478433641975315,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.798888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5611111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5518055555555557,0.0,0.4444444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.94125,0.0,4.440972222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.5,2.9,0.798888888888889,7.94125,0.38888888888888884,0.12152777777777768,0.9431786111111111,1.3784722222222223,1.9412500000000001,5.764444444444445,1.3784722222222223,1.9412500000000001,5.764444444444445,2.16666,0.43333,0.0,0.06667,0.5718,1.00667,0.41765,0.5718,0.88889,0.15415,0.0,-0.15415,0.11778,0.43046,0.28383,0.0,0.38462,0.0,0.0,2.75,0.55,2.75,0.55,0.0,0.0,-2.75,-0.55,0.0,0.0,2.53573,0.50715,4.09272,1.55699,0.3114,1.50468,0.30094,2.41421,0.90954,0.18191,-2.1E-4,-4.0E-5,-2.1E-4,-4.0E-5,0.0,4.02,2,2,2,2,1,1,1.0,1.3346791410515946,2.0349409139562287,2.7192945256669794,2.873140679513133,2.7423376242715105,1.757586941766559,17.35082883367073,26.45423188143097,35.35082883367073,37.35082883367073,35.650389115529634,22.848630242965267,0.3606812278304233,0.5499186769561745,0.7348571339605584,0.7764322346416844,0.7410842583997336,0.474967051388552,2.365760577089498,1.6654988041848635,0.9811451924741128,0.8272990386279591,0.9581020938695817,1.9428527763745331,0.37229933110405156,0.5676324127649527,0.758528025082539,0.8014423244134821,0.7649557348842164,0.4902664787743247,12.937780825704762,18.27862867838593,20.659441220238403,18.50878513469994,17.55375072103124,9.166317224376165,18.882921744786263,14.898601673901712,13.520132352459626,15.18194140977722,11.381197271384604,6.565203815496937,5.0,4.0,4.0,5,0,2,1.57,0.6487,0.0,0.8164965809277259,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.259,0.596,0.601,0.567,0.248,2.409,3.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,0.0,0.0,0.0,0.0,0.0,2.772588722239781,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.5,4.0,1.0,0,2.0,4.0,1.0,0.5,0.22222222222222232,0.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.125,0.07407407407407411,0.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2615740740740741,8.288215751900175,13.524283729399965,16.576431503800354,3.3152863007600706,8.288774052044314,2.220446049250313E-16,4.4408920985006264E-17,-18.021826694558577,2000004.2294850536,400000.8458970107,7.254329926632255,29.46,78.0248659795223,3.321928094887362,2.70805020110221,3.2188758248682006,3.7612001156935624,4.290459441148391,4.844187086458591,5.37989735354046,5.937536205082426,6.47543271670409,7.034387929915503,52.65002687451343,2.1972245773362196,0.0,3.044522437723423,0.0,4.04305126783455,0.0,5.10594547390058,0.0,6.192362489474872,6.60934924316738,76.052429496,5.850186884307693,8.849873734152917,1.7699747468305833,4.996320343559642,4.996320343559642,0.0,20.0,2.0,-0.6890000000000001,14.0,1.2051666666666667,2.0552520727113768,2.767478449150277,3.3268196884812222,4.583476902345608,4.730484016454381,0.0,0.0,0.0,0.0,94.78949525741666,80.0713778217046,100.40776067070932,80.60624391773544,32.17936503984861,4.806474511694703,0.0,0.0,0.0,0.0,240.7888621072528,253.34086746663752,302.67211197643087,311.0789236011924,255.57945105433632,147.0411562020685,0.0,0.0,0.0,0.0,9.838502761666666,16.868119528711738,22.040477672098696,24.565620670116505,35.094656116364554,31.78158656712417,0.0,0.0,0.0,0.0,1.5883444918351668,1.810809284664908,2.3623039455476493,2.670920359941251,2.467124933543633,2.1032342398975468,0.0,0.0,0.0,0.0,183.79093345979473,349.26094713205276,473.2786257744561,563.0015309722966,833.9842723272753,874.7499972609829,0.0,0.0,0.0,0.0,4.352270833333333,6.295236899024565,9.91462609712975,8.240978452211543,12.516211126800101,4.730484016454381,0.0,0.0,0.0,0.0,0.41152742500000006,0.4982278338182763,0.6141781481279943,0.6654545726076431,0.6833109374585687,0.4844015632849286,0.0,0.0,0.0,0.0,318.506444193384,246.8122184577877,19.115201752077304,88.71166339729169,-68.743106600607,-34.29749882677747,229.79478079609234,315.5553250583947,53.412700578854775,0.7821519678430848,0.6060934272251873,0.046940942447705136,0.21784803215691523,-0.16881151726608795,-0.08422390406384472,129.701591459865,100.50640453063674,7.784056283694889,36.12499568986613,-27.993437779803273,-13.966562567333742,0.27078467869246164,0.5076439119339895,4.762297827375585,19.34362958442657,300.9194158195067,106.29869177116905,0.738963740094737,0.2610362599052632,355.1212658500638,18.84466146817352,7.081504900570565,440.96145048653307,20.99908213438228,7.611440816280581,492.72422624464065,22.197392329835516,7.898318427780045,1.9623470331195065,1.9623470331195065,235.55811845693324,220.7217230191073,24.86571010791964,1.0672176496037122,9.4732109975781,8.876550159281726,3.0002263600413936,2.999255684942301,5.2896758901539,0.76366287032833,2.6666414753584684,2.0968403497305177,7.082108968210588,4.352095981576325,3.7452444429024707,3.0032874389110082,2.5488960134900256,1.2096659790202615,0.625681719554681,0.02398183854245829,2.4448533059580015E-22,4.8073598452581903E-64,1.8232086051029695E-127,1.333650392558591E-212,1.8816E-319,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24369803085827998,2.4779374017394824,0.6943249264836764,0.5831588545395258,0.1801332731159715,1.5145719662185597,0.138641100172443,0.4683302750224843,0.0044545976123453995,0.002680836946107847,2.733051671686965E-23,5.37404957159099E-65,2.03812773300901E-128,1.4908605869916372E-213,2.1037E-320,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6672371825453035,1.76923213547641,1.3336289720803365,0.9112802224216824,0.6699012932781293,0.8901520369071949,0.497147751445174,0.3965772342955776,0.045976226246484286,0.004644009001594115,4.734434331665505E-23,9.309404961270367E-65,3.530625495097473E-128,2.582600841360216E-213,3.643E-320,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.7400501663542074,2.476497907835307,8.403551487193322,4.217307386891612,3.4428254390086437,3.3776948989757,2.3541220094286768,1.3781995698531064,0.5576368898208912,0.030121926426636924,3.07082650525271E-22,6.038222414871121E-64,2.290017685523893E-127,1.6751143981643122E-212,2.3633E-319,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9164839119689996,1.499918972168567,1.4760218556984785,1.2469254431624925,1.0767599891275814,0.8639512682158089,0.7828836226409367,0.3845232437804478,0.0997623811688714,0.004598473131125066,4.6879747516675164E-23,9.218050637979111E-65,3.495979037644894E-128,2.557257465153527E-213,3.6077E-320,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.400985968624402,2.337327947193218,10.168917237567769,5.805454701978244,4.960592504197531,4.200111646687405,3.323671578756805,1.6041829032612978,0.9124988742756028,0.03502568607579505,3.570729842033804E-22,7.02119150422079E-64,2.6628122671527815E-127,1.947808174807059E-212,2.7481E-319,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.747819721823821,3.696276997594978,9.201620853998662,3.29490050115527,1.7083163992534691,6.037114320497564,1.4814819834733601,2.477203943664119,0.22606312352395386,0.05180001690089182,5.280883140868308E-22,1.038389726575769E-63,3.9381305870224135E-127,2.8806848479265565E-212,4.0643E-319,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1239482294367056,0.6273344175556248,0.3827478576923077,0.7556664678445603,0.15174886030587736,0.6209632455975375,0.569577484170441,0.4615225691616375,4.134030504684638,3.395555639722245,8.279680179000943,0.6334997017668406,1.6520632989296158,2.9148841568213477,0.2884754637463024,0.06591139926670611,0.8916006470974792,0.08823846722897832,0.5329810457421804,0.10058749352260757,0.01368637608262822,3.269271019834356,1.0520104738518665,4.376704580648679,0.8374009706462188,0.6472549153474162,2.871927617571979,0.42448705371357853,0.20433694261318575,0.8203745750397724,0.12125597601048668,0.5225640352600691,0.2553089189955467,0.1315410149197106,3.500751613898743,1.8926753883775267,5.642533370643328,0.7305618625596587,0.9094139691753264,3.1396585832393304,0.6057122827339941,0.35546749938812644,0.7656138339318815,0.1477045005846277,0.6242732444904804,0.5184509190562453,0.3980771089253587,4.100838365361451,3.2330873834679523,8.009928873780114,0.6484207508978223,1.5408012724720845,2.8958745390783633,0.492605246464648,0.2776766972531885,0.7898938718703197,0.13436558116824707,0.5360438021752851,0.3559861701597087,0.24291049368343456,3.6661564827962,2.367424866612172,6.429693542119819,0.6848408078054796,1.1349404660184284,3.1632891555349896,0.6483462129894663,0.3984703379940907,0.7513562309462299,0.15399760913024718,0.6360522855049973,0.6058423839636193,0.5002181006204343,4.210105706518546,3.569730178187928,8.59706130872026,0.6270343464193449,1.7421127700890509,3.180864524594995,0.6069735276230332,0.3618707018181819,0.766527174106166,0.1462689464730895,0.6413291020203269,0.5234512925556666,0.4125477775249812,4.14970875403621,3.30140817571414,8.149780896899276,0.6497907611592489,1.5773281721009749 +UMLCN0148,L,methyl octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OC,Esters,,C19H38O2,NREL (2014),CFR,PubChem,,86,0,-4.222700000000003,17.83119529000003,66.11030000000001,60.38213399999995,0,0,59,21,38,0,19,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3291.564732999997,3489.0513680000026,3974.695316000004,3815.3539029999997,3499.0283369999993,3259.987015999998,3063.230286999998,2866.473557999998,2669.7168289999986,9660.784975541355,12467.967258045783,16638.87367703623,17636.657269614214,16802.643547200747,15736.306776954829,14729.5084319997,13722.71008704457,12715.911742089442,425.2748679999997,428.7604400000003,814.7093120000012,1101.816916000003,1071.5469000000028,1020.5592800000031,957.674380000003,894.7894800000026,831.9045800000022,71.17079838426194,93.74400377999991,136.72644063467803,153.61786812403435,147.0883918426382,139.13023645433594,130.10870759493966,121.08717873554363,112.06564987614769,9806.866114236464,8434.190851865202,17530.593867548705,25540.129972121336,24769.629414182,23844.62734120046,22365.672186161875,20886.7170311233,19407.76187608472,146.02777777777777,123.75,214.91666666666666,255.3333333333333,253.58333333333331,226.33333333333331,214.08333333333334,201.83333333333334,189.58333333333334,55.78923276271181,60.156058068965564,35.488351035714324,24.61518647096774,23.326855579999997,22.63879872222221,22.690594718518504,22.749790142857126,22.818092555555545,163.7421182295145,214.9649527249273,148.56137211639492,113.78488561041428,112.01762364800499,109.27990817329743,109.10746986666445,108.91039751622675,108.6830063426448,7.208048610169486,7.39242137931035,7.274190285714297,7.108496232258084,7.143646000000018,7.087217222222244,7.093884296296318,7.10150380952383,7.110295555555574,1.206284718377321,1.6162759272413778,1.2207717913810539,0.9910830201550603,0.9805892789509213,0.9661821975995551,0.9637682044069604,0.9610093550439971,0.9578260673175016,166.21806973282142,145.4170836528483,156.52315953168485,164.77503207820217,165.13086276121334,165.58768986944764,165.6716458234213,165.76759548510555,165.87830663320275,2.475047080979284,2.1336206896551726,1.9188988095238095,1.647311827956989,1.6905555555555554,1.571759259259259,1.5858024691358026,1.6018518518518519,1.6203703703703705,0.32398287289845185,-0.1539367940809371,0.006561253364245779,0.014146217036429647,-0.036669831050982565,0.004831532426318626,2.4129313032125342E-4,6.2550374008364835E-6,7.927991125394884E-8,1781.2457987457628,-20.600686224643134,-565.5712396190714,48.569138413673585,-218.09503654007472,12.03160604423908,10.7055952427454,9.379584441251833,8.05357363975838,2884.6276933465706,-155.1602787266779,-1129.1920032240114,-9.692422261380514,-212.27075320441304,7.761656499690758,7.584954681048345,7.408252862405931,7.231551043763517,2.2740462372881347,0.057433868428602576,0.6846666681987845,0.038043952887108566,-0.3017442642918673,-0.017629324906626727,-0.028192983625386917,-0.03875664234414711,-0.04932030106290741,12.824708416228843,-1.0427608490852756,-4.74380060718902,-0.35922073623356376,-0.48315559648264317,-0.028600781147573043,-0.02901113337669671,-0.029421485605820377,-0.029831837834944044,70.48104424497117,-6.253937816604505,-24.838754728896728,-2.4980800322126933,-1.9245136610810203,-0.2775157572102107,-0.28411780997354485,-0.2907198627368719,-0.2973219155002025,42.467984934086715,1.653412174024064,10.514164192920312,3.415557470714044,-6.448266781576149,-0.5094321555108731,-0.7346547926840997,-0.9598774298573253,-1.1851000670305507,0.005491235133872065,-0.002654082656567881,5.858261932362303E-5,9.126591636406224E-5,-2.4446554033988376E-4,3.355230851610157E-5,1.7873565208981735E-6,4.9643153974892725E-8,6.776060790935798E-10,30.19060675840276,-0.35518424525246783,-5.049743210884566,0.31334928008821666,-1.4539669102671648,0.08355281975166028,0.07930070550181778,0.07444114635914154,0.06883396273297761,48.89199480248425,-2.675177219425481,-10.082071457357245,-0.06253175652503558,-1.415138354696087,0.0539003923589636,0.056184849489247,0.058795657638142304,0.06180812857917536,0.03854315656420567,9.902391108379755E-4,0.006113095251774862,2.454448573361843E-4,-0.0020116284286124486,-1.2242586740713004E-4,-2.088369157436068E-4,-3.075923995567231E-4,-4.215410347257044E-4,0.21736793925811598,-0.017978635329056476,-0.04235536256418768,-0.002317553136990734,-0.003221037309884288,-1.9861653574703502E-4,-2.1489728427182749E-4,-2.3350385401444743E-4,-2.5497297294823967E-4,1.1945939702537487,-0.10782651407938802,-0.22177459579372077,-0.01611664536911415,-0.012830091073873468,-0.001927192758404241,-0.0021045763701744062,-0.0023073004979116815,-0.0025412129529931837,0.719796354815029,0.02850710644869076,0.09387646600821707,0.022035854649768025,-0.04298844521050766,-0.003537723302158841,-0.0054418873532155534,-0.007618074840137502,-0.010129060401970518,-0.4833307246663818,0.010668386600723532,0.01662028926809175,-0.04451922643631223,0.0061101569497794645,3.254926218462339E-4,9.04043494125293E-6,1.233977534332564E-7,-0.011764726959441172,-0.16726206436639776,0.010379032213421948,-0.04815957896780234,0.0027675104518528944,0.0026266681599483427,0.0024657055406288844,0.002279979441414157,-0.05471605791976303,-0.20621108829957097,-0.001278977402694526,-0.02894417297582185,0.0011024379875828848,0.0011491625513793148,0.001202562052860949,0.0012641768622628346,0.0256916972845341,0.1586039078452641,0.006368052832603869,-0.05219158491239432,-0.0031763321512910214,-0.005418261874730567,-0.007980467272947192,-0.010936858117043322,-0.08271061220168051,-0.1948556107618628,-0.0106618903638716,-0.01481836429455878,-9.137342720592553E-4,-9.886337654268567E-4,-0.0010742331864184013,-0.0011730017491009526,-0.09026206122276353,-0.18564851432040352,-0.013491316522961143,-0.010740127100380538,-0.0016132617495088126,-0.0017617503709041527,-0.00193145165249878,-0.0021272608235695296,0.03960440513208271,0.1304208688752545,0.030614012563915705,-0.05972306600740524,-0.004914894717781606,-0.00756031524307176,-0.010583652986260498,-0.014072119613016729,1.5708775504433123,1.0256969057804242,0.7993939952401994,0.843649765878741,0.6912579527932572,0.7257121204227892,0.759792230744782,0.7987713555391762,1.3047668034565971,1.2817334135009968,0.9387148475322548,1.0151739854955841,0.9264972550521434,0.9298624280844935,0.933708340121465,0.9381459309333549,1.5007461369012725,1.3825765976286766,0.9920680628055738,1.00942962191048,0.9711430525718682,0.9688260331926165,0.9661780110449003,0.9631226008744584,0.7419813952473334,0.7539327479180863,0.7034517959428499,0.9404327691024988,0.6715717060055569,0.7073819489165631,0.7483079408148563,0.7955302391590403,1.5791546095896531,1.39293853268292,1.0030861560089608,0.9956473768632214,0.9730551724873686,0.9704947923915991,0.9675686437107194,0.9641923183097044,1.5920566994477672,1.3864753650030612,1.0020856966943525,0.9902510417970948,0.9690247127277977,0.9669773002377917,0.9646374002492133,0.9619375156470075,0.569056118489611,0.5138441260409167,0.7192135071749343,1.1229374071528324,0.6528338248228037,0.6912978032021941,0.7352566356357831,0.7859783653668473,291.62909680620874,146.06454840310434,233.94711134636083,292.08147775858964,13.908641798028079,146.06454840310434,0.4999999999999716,0.0852518032792618,0.004059609679964847,-5.170506621433258,199.33459305366355,9.492123478745883,11.1194680483525,291.6414756211883,146.07000338969283,233.95322736526842,292.0925276214622,13.909167981974386,146.07000338969283,0.4985311581973235,0.08518490663829531,0.00405642412563311,-5.172155127242972,199.35991273456486,9.493329177836422,11.119734775529285,302.82837983022165,151.01519543705257,239.5359299079076,302.1063898223067,14.386018562966987,151.01519543705257,-0.7979889561165123,0.025199000848748987,0.0011999524213689994,-7.729996961630923,245.1096585700613,11.671888503336252,11.55358196245731,291.65446801228984,146.0757288063638,233.9596466828755,292.1041252698287,13.909720250944225,146.0757288063638,0.49698960043778584,0.0851146958854484,0.004053080756449924,-5.173886694283026,199.38651849135988,9.494596118636185,11.120015014222234,315.1277336246967,156.48157254800904,245.80039505891625,313.16929638446356,14.91282363735541,156.48157254800904,-2.164588528678621,0.040424627769919286,0.0019249822747580611,-6.737463771106425,298.5343599735869,14.215921903504139,11.967658573494507,292.92847131712284,146.63736984443972,234.58984580355457,293.2417617487121,13.96389341660534,146.63736984443972,0.34626837175659375,0.07823828472631722,0.0037256326060151057,-5.350791971128873,202.15849910074425,9.626595195273536,11.149009281351244,307.07858337711457,153.58431583079815,248.1185343867856,307.9197338724,14.662844470114287,153.58431583079815,1.1776106933997141,0.12372514300354387,0.005891673476359232,-4.388354800887044,187.21601936342577,8.915048541115514,10.987752581200207,0,11.99615713390471,15.998264214428769,-0.34960693010524185,0.2612576247073291,4.036106323458661,7.634753167902437,20.0,58.0,57.0,57.0,19.0,1.0,1.0,0.0,0.0,1.0,44.41586599999999,3.573051612086465,3.5279530240099324,3.4413482601205776,3.315714888902033,3.1564470767486896,2.9721278356141037,2.7810814072725414,2.62468075065422,1.9559505461237376,1.9069601711091473,1.8279982271930388,1.7233955347082035,1.6004557833298902,1.4791601344625196,1.4024508318908224,1.2886024152766262,3.5819214799210934,3.525903270230868,3.4334685612227074,3.3070024832205545,3.1512073518926713,2.974550258430401,2.794481629673792,2.6370743962064807,1.8987920997774046,1.851059562021801,1.7742450972378665,1.6730356548287353,1.555921873616749,1.43830556893633,1.3275377359233431,1.201306320027839,3.7059541790460195,3.660322916646834,3.580933548566781,3.4692783566237035,3.3306025612337575,3.1743693622155136,3.017585859375751,2.8753865637794074,1.7253279786469868,1.669926375787739,1.5802465213992838,1.4605404606957686,1.3177305315555181,1.164810750196153,1.0276188426969308,0.8980085745524646,3.601097515678641,3.5425536290298494,3.4471367019376196,3.3183512578836187,3.161810772185006,2.9870560114284435,2.814404774371009,2.666805502315968,1.8632905817526908,1.8188167927831955,1.745821126533704,1.6473384764739185,1.5294317310195547,1.4021321230065182,1.2757792509324584,1.146718592967512,3.7614444662992836,3.7119139373133225,3.6309088770778293,3.521615665230303,3.3899681249351357,3.246445443955013,3.1064098138744893,2.9699936156304245,1.6715908390817524,1.6164497473492734,1.5266855391883594,1.4058883850870272,1.2600339889052743,1.0996428921179566,0.944647860164635,0.803466481103867,5.1547280797158574,3.6100423209972017,3.5509758771843694,3.4638133416535575,3.4176757166934206,3.299779482490557,3.12979340895275,2.934267614045745,1.8234289081944552,1.762102471758948,1.6636633773306908,1.5336389896417133,1.3794957341983447,1.2105907077147036,1.0425789394259022,0.9534361883997546,0,0,1,0,0,1,16,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.49279927982674443,0.348461712529338,0.24639963991337221,0.10059223176554563,0.07112944921610614,0.050296115882772816,15.598165549360939,10.308060412490448,7.25184260888705,4.9974002407106255,3.0682437686183195,2.044575975123381,1.3573451890125228,0.8972879875616906,0.7427697880648066,0.5154030206245224,0.3625921304443525,0.26302106530055924,0.1804849275657835,0.12778599844521132,0.09048967926750152,0.06409199911154932,14.630205079912491,9.377156752707547,6.275880081465912,4.212125131752582,2.7427199834730156,1.8143958992096243,1.1945832964398706,0.7821979496048121,0.6966764323767853,0.46885783763537736,0.3137940040732956,0.2216907964080306,0.16133646961605974,0.11339974370060152,0.0796388864293247,0.05587128211462944,30.724326480765264,57.53022578295712,54.482352941176394,55.24000000000005,35.13301437125754,453.84588862275456,0.5207512962841571,0.9750885725924935,0.9234297108673966,0.9362711864406789,0.5954748198518227,7.69230319699584,6.420900000000008,91.56200000000007,149.0144888509153,237.19247410233254,298.0289777018307,14.191856081039557,149.0144888509153,0.0494560278584254,0.002355048945639305,-6.314009793620244,217.12557653649776,10.339313168404654,11.298999347744642,577,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,16.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.553870912911849,-0.06509805344515818,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.320965589006936,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7427397403848723,0.0,20.935154066815105,0.0,0.0,0.0,0.0,0.0,0.0,-0.06509805344515818,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.923485022192605,4.630385890719245,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.630385890719245,-0.06509805344515818,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20700429191888103,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.465813103437993,0.0,0.5920198961937716,0.0,0.0,0.0,0.0,0.0,0.0,-0.06509805344515818,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.923485022192605,4.630385890719245,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.923485022192605,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5125,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2769266369468792,0.0,1.4446373894725544,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.923485022192605,4.630385890719245,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,40.16666666666667,1.912698412698413,0.5559027777777779,10.923485022192605,0.20700429191888103,-0.06509805344515818,11.716786653586913,1.731764720111825,3.923485022192604,10.661595099717456,1.731764720111825,3.923485022192604,10.661595099717456,10.16666,0.48413,0.0,0.01587,0.46836,0.77302,0.42923,0.46836,0.77302,0.03913,0.0,-0.03913,0.0,0.62628,0.08801,0.0,0.13115,0.04918,0.0,12.25,0.58333,10.75,0.5119,1.5,0.07143,-9.25,-0.44048,0.0,0.0,26.14006,1.24476,30.02179,3.88173,0.18484,9.18293,0.43728,10.30805,1.12513,0.05358,0.10595,0.00505,0.10595,0.00505,0.0,20.02,2,2,2,2,0,0,0.9473684210526315,1.1007469770519367,1.5093446689383836,2.3771818763378296,2.8695082107007295,3.1877049375041864,3.4313501435777987,64.94407164606426,89.05133546736464,140.25373070393195,169.30098443134304,188.074591312747,202.44965847109012,0.18711775775199338,0.256575939806873,0.40410098936662664,0.48779233868558763,0.5418831145721129,0.5833007569531244,4.781896072309905,4.373298380423458,3.505461173024012,3.013134838661112,2.694938111857655,2.451292905784043,0.18711775775199338,0.256575939806873,0.40410098936662664,0.48779233868558763,0.5418831145721129,0.5833007569531244,9.376575989485314,14.415169126698945,17.245592513304768,19.241917875084205,20.219232840291003,20.71966620400077,78.19606207194039,64.73052149843086,59.215553336875,52.83816591238339,49.01128411278883,46.85208302016079,21.0,18.05,17.950138504155124,21,3,18,3.3299999999999996,2.860099999999999,0.05263157894736841,4.021051602672681,0.34299717028501764,0.0,27.408212328519852,2.352779665665871,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,9.844999999999999,20.0,19.0,17.0,16.0,15.0,14.0,13.0,12.0,11.0,178.0,3.091042453358316,3.1354942159291497,3.091042453358316,2.9444389791664403,2.8903717578961645,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,2.5649493574615367,5.25227342804663,1.0674157303370786,0.47368421052631576,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.0,0.85,19.0,0.95,2,10.0,19.0,0.9,1.5,0.666666666666667,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.075,0.03333333333333335,0.013157894736842105,0.009411764705882356,0.006944444444444446,0.005442176870748299,0.004464285714285714,0.0037986704653371313,0.003333333333333334,0.003005259203606311,0.17869496689517875,149.0144888509153,237.19247410233254,298.0289777018307,14.191856081039557,149.0144888509153,0.0494560278584254,0.002355048945639305,-6.314009793620244,217.12557653649776,10.339313168404654,11.298999347744642,26.3,352.12416129259066,5.392317422778761,4.394449154672439,5.0689042022202315,5.75890177387728,6.444131256700441,7.138073034044347,7.826842098158293,8.522578663692576,9.213036733523925,9.909817476230998,105.27673439312053,3.713572066704308,0.0,4.795790545596741,0.0,6.008813185442595,0.0,7.278628942320682,0.0,8.579416534596369,8.903271585724212,298.28718045600107,5.055714922983069,40.654900299695655,1.9359476333188408,5.135510785891027,5.135510785891027,0.0,1506.0,19.0,9.029000000000002,80.0,1.2434310344827586,2.1447672934361894,2.873177700474492,3.623459674399863,4.938460576659011,5.962295570718389,7.280282551376935,8.392273913691596,9.694323674936363,10.845478593082637,86.27315978553447,84.33378173072869,84.3155090439649,107.75347021014751,132.4208054868388,160.2926511731804,188.56182084415227,217.04455822321415,245.8845866020458,275.0588177252998,293.22747230237013,340.11362841044956,360.543938674445,477.83595558539633,597.6078924916492,726.6709150199931,858.7031624737293,988.8264911567496,1119.8311837909705,1248.5892602433466,9.237462661586214,15.661058468882219,20.483451956821387,26.05190904828302,35.14671091924781,42.51009158692053,51.874979396802296,59.88759822544886,69.21581707905663,77.5738503481526,2.1474538390886195,2.745294635732423,3.0372881720472105,4.015895170471707,5.123846630004758,6.228920087088771,7.401540146499626,8.522157320850882,9.674283442614572,10.778075386792146,178.66589734642662,332.34474110114905,469.6033685768559,583.4518646262353,807.9036306926852,972.506385068354,1194.992746274538,1376.8650163029536,1596.6554792441204,1787.040063010873,2.7281910919540224,4.242103239747743,4.826954674291527,6.331520257924655,7.981506656284781,9.757328903136857,11.91589167606187,13.903416220721668,16.187886757218408,18.39039186703005,0.45864504310344795,0.5980658625434632,0.6647501063758582,0.8785125307189787,1.120549906691256,1.364274643230651,1.6270997286076851,1.8780065522986014,2.1399504742797952,2.3923135638486785,805.8816747480884,1161.5140968541748,28.254508801664617,224.81427651767797,-324.0239349417902,-24.227044882451583,581.0673982304104,1485.538031795965,52.4815536841162,0.7818810908866085,1.1269221494736195,0.027413039477807304,0.2181189091133911,-0.31437392816365106,-0.023505520568601317,830.6189793621302,1197.1678769657117,29.12180782687869,231.71516459351324,-333.9701578577054,-24.970717071476862,0.18121685313647243,0.22129481976102522,3.351027083877724,3.882170735896601,963.5337645139244,67.16218675184203,0.9348380221447824,0.06516197785521731,1393.044989529214,37.32351791470378,11.168333675268697,1761.1523606371447,41.96608583889073,12.076255968043823,2462.5608946674233,49.62419666520984,13.503996794954906,5.469203179231304,5.469203179231304,16025.768185398854,15931.632077853485,154.14553391166373,1.005908754802104,103.96518003942138,103.35448373731953,8.465207650439266,12.77627106752322,24.597611778897505,0.9252575065837222,10.61144708813967,16.623753380880796,8.644614915370333,77.21009327532448,32.30440702798339,1.5520349435577354,13.337171449651164,9.982311327127857,60.368714714564135,1.6814847697865574,3.7017040151019294,56.46500364049302,6.7247856515982996,66.4542542887725,3.393928571661245,3.9898124983810295,31.73619386101469,4.132613214047531,60.34162847862417,3.7663165292755085,6.377198729480752,22.524724939656984,3.851597627334897,47.83248410315005,3.6567569312595762,6.5669803174678725,14.377666513229032,3.0219035590996186,31.886561469323535,3.940502090453019,0.9070527428305261,16.77417114292019,0.7498551874685975,17.04913657109966,0.45664647036633516,1.0725531580409697,2.0010740024554647,0.3498951608141874,16.390154959311747,0.05417957350155863,1.9415735870593627,4.727456193029963,0.21546055205852047,14.192937053091574,0.07855339628421548,2.1948093217766753,1.3330974308885066,0.16729116394148227,10.91449933692859,0.10713892114256615,2.379991277151878,0.5597366566539509,0.1737070126498759,7.570509836398802,0.13247168109449994,2.445876301200869,0.2930558753441064,0.20593091713520653,4.634677001226965,0.15702001041486593,2.8806593866399206,16.493126236595536,1.9153243183489626,20.861412852967252,2.8524291974523814,0.9526885272943549,4.193348815037436,1.3443521131021043,21.413366871950792,0.23218273842931425,1.8033489971866294,13.12798277526714,0.85925628913518,21.92101264249402,0.38950075153549885,1.9414327077011204,4.766957104281343,0.5539904076121923,18.486290199300278,0.48353528515057304,2.3727256580992484,2.47311987728034,0.49894312041632805,13.557795064448817,0.5425614610162206,2.512449829584582,1.5093532537312393,0.45730295626333317,8.554089361555432,0.6213217162970405,10.021455544646441,16.774257425777982,9.127632686325546,71.58004113574388,29.151301545143696,1.7779147412336416,12.918625694647556,9.2032542812168,57.76089613136135,1.5273240119070213,3.7406419170585803,52.89934737606998,6.085368948908828,62.94261666854358,3.0615587991600064,4.1289858781888364,29.45539928689497,3.7412699190972396,56.77273262310696,3.4112266678377066,6.491553933215958,20.723584498923216,3.477796812903593,44.74995244804788,3.331585458515124,6.893513107362116,13.012631180718513,2.7387613113740015,29.72314468245441,3.599924201259133,4.237980175948683,16.386372321486007,2.562867748881658,25.828906216467352,5.652842788707142,0.8936503819253325,5.661325023941313,2.276467470521894,25.814509798249716,0.40015096760412106,1.8723348420959811,19.55399880481223,1.5043569690030123,28.013443740689805,0.7115674012448234,1.963544213103438,7.81354787063663,0.9450002319347685,24.394153469904914,0.8519345866195155,2.5954848699700865,4.43542730293628,0.8486076971234154,18.31248191840494,0.9159104284479141,2.727587723036094,2.815537664807982,0.725950863353434,11.723712382835284,1.0314981896526418,12.814882169998262,16.71947680548684,11.48666349313835,105.124072342025,46.6131262143334,1.9003357572646444,16.157779373757567,13.868172034492877,76.69520287003012,2.31419681129754,4.535307846557677,71.41889055179739,9.372070254540825,83.0133478643543,4.771473760704075,4.910750225505138,43.47291181050347,5.753691804477161,75.68420907189257,5.229883263638291,8.103299069324716,32.01634327379414,5.411243145937043,60.69028012606289,4.9849556094013625,8.252115151082862,20.43046961692461,4.209656038777857,40.83195861145543,5.325219877734502,6.927155545737076,16.588071002964888,9.068863909690046,46.29675091291214,15.56607650014279,3.0134718224878423,9.571862084852043,5.768929463865583,45.54267352166952,0.8026428263752501,3.6607655448757157,35.241642111658436,3.140032084600394,45.64843634430594,1.5378916842596617,4.3371877407725705,19.44384550409836,1.9509104863217648,39.031134889322765,1.7598952720730985,6.21817670468806,13.174725912877198,1.8018293012211162,29.654248077257282,1.7845935958844934,7.0699254137112275,6.942277393408085,1.4876752477651882,19.368836723481024,1.961133707094308,51.629634156564684,0.815484662038119,0.5046059033898306,0.9750689815223978,0.015401112400862171,0.5379870060799341,0.656744100080577,0.6101601015757807,52.94972472199263,68.56729132116594,142.7625265791733,0.9626034722835968,1.8048912077362917,54.338838234754185,0.41754506681634496,0.10053204835466716,0.9905558467539368,0.0076115301808874734,0.595872861596764,0.17069838048139413,0.02421855428268437,54.856915349925195,28.193685215253176,85.3315635486022,0.9858337701309052,0.7907897963608425,51.388222822354315,0.5452819187879268,0.2625144770277329,0.9845237930417793,0.010446810445615523,0.5329552891909451,0.2935263873569886,0.1651374860853517,52.19601921816998,41.65436558101313,101.20632100618707,0.9767856895626689,0.9916191626332854,52.29987506190024,0.8095210891946962,0.4884754307156687,0.9757826853641169,0.015103605148929491,0.5520305009037627,0.6468627921261921,0.5717742601913783,53.5978715818106,68.28048698481119,142.55935897234448,0.9636740280461754,1.7706675532213332,50.556253997833025,0.6139219381889802,0.33834790062692915,0.981512383429277,0.011918841629706488,0.5158614063034421,0.37222465728138887,0.2743254649053403,51.50852383664893,48.35091504458769,110.36094346282377,0.9722685751439155,1.1624115284901713,51.87230878338666,0.8522177048803954,0.5341566594089824,0.9739690453771598,0.016001479092477,0.5430531965020438,0.7172035288900419,0.6837171064352512,53.25868314767604,72.36965687611809,149.24153635495975,0.9609535680657396,1.9439738318273367,52.29893472330869,0.8155033757686461,0.49122933197452184,0.9756232359307176,0.015213006662356263,0.5519997359379334,0.6559269301630327,0.5782394716726935,53.605667431051856,68.74132776157414,143.2979054793027,0.9634348538960764,1.7861661377736595 +UMLCN0149,L,butyl butanoate,CCCCOC(=O)CCC,Esters,,C8H16O2,NREL (2014),IQT,PubChem,,18,0,-0.8060999999999982,0.649797209999997,36.0853,26.352687999999976,0,0,26,10,16,0,8,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1682.3059939999982,1635.7901009999996,1887.781372999998,1684.7875119999972,1516.220510999998,1077.8489049999985,859.0522559999997,520.6333460000001,281.5920250000005,4318.256678818235,5285.075778651739,6501.791034822078,6208.336360065058,5241.2302986371515,4357.150653967761,3821.763285950487,3134.5597465953474,2068.2229763493997,194.52298400000006,189.22686000000004,344.824556,416.4851199999997,345.6686999999999,282.7397560000001,219.2275920000002,237.19988000000023,186.21226000000007,30.71141447758398,38.56812896000001,51.291065365339044,50.43607521237606,40.705630705584035,33.958959994489994,32.149188170792,28.99630496588599,21.038149577583987,4343.939852712984,3670.7568851914007,7358.85692226614,9425.885905611078,7577.628695867786,6077.94979380414,4833.396929677693,5541.704338588536,4616.702265606985,99.27777777777777,65.0,115.08333333333334,124.25,126.33333333333333,102.66666666666666,69.75,64.0,37.0,64.70407669230762,65.43160403999998,41.038725499999956,30.085491285714234,33.69378913333329,29.94024736111107,28.635075199999992,15.776768060606063,10.429334259259278,166.08679533916288,211.40303114606957,141.34328336569735,110.86314928687604,116.47178441415892,121.03196261021559,127.3921095316829,94.9866589877378,76.6008509759037,7.481653230769234,7.569074400000002,7.496186,7.437234285714281,7.681526666666664,7.853882111111115,7.307586400000006,7.187875151515159,6.896750370370373,1.1812082491378453,1.5427251584000004,1.1150231601160663,0.9006442002210011,0.9045695712352008,0.9433044442913887,1.0716396056930668,0.8786759080571512,0.7791907250957032,167.07460971973018,146.83027540765602,159.9751504840465,168.3193911716264,168.3917487970619,168.83193871678168,161.11323098925644,167.9304345026829,170.9889728002587,3.818376068376068,2.6,2.501811594202899,2.21875,2.8074074074074074,2.8518518518518516,2.325,1.9393939393939394,1.3703703703703705,0.2742428118715858,-0.16340819575808316,0.04619402842284483,-0.005078970342433872,0.02290839631672121,-0.05657505600684615,0.02401335920462354,-0.010582561271376086,0.0022738762083244967,882.3953095384619,-16.007614863906092,-51.542792029586224,119.0603806863908,-65.04631881656809,-374.5196222840235,-206.58509685207102,-181.10173795266223,77.98788378698279,1232.2230783781736,-150.64003299049494,-371.35711577769484,153.00540595202656,-1.6806012258597605,-43.3379637090228,-320.16303389107645,-198.39964757377626,31.354588671250923,2.012233846153846,0.022008994082841786,0.8084290414201193,-0.2850685917159752,-0.6469462721893435,-1.1644327100591645,-0.1339079763313619,-0.1718001893491148,0.23502485207100032,5.440849319686152,-1.0618528482268264,-2.005132992689112,0.23521534130797156,-0.0568049268826543,1.2269058413891685,-1.282524686012636,-0.5186396582928904,-0.08589193392701093,30.335418731686136,-6.44520119482697,-11.10342426840456,0.32996387322339893,-0.7066996192980055,8.652060479966117,-6.748398752574206,-2.230235826054404,-0.7602322502500451,38.76068376068372,-0.3874095989480592,10.59648257725182,-4.76446416831031,-7.688362919132137,-17.976331360946737,-1.5443786982248544,-5.65138067061143,3.7292899408283997,0.010547800456599452,-0.006536327830323326,0.0010042180091922787,-9.069589897203344E-5,5.090754737049158E-4,-0.001571529333523504,8.004453068207846E-4,-3.206836748901844E-4,8.421763734535173E-5,33.93828113609469,-0.6403045945562437,-1.1204954789040484,2.1260782265426927,-1.4454737514792908,-10.403322841222876,-6.886169895069034,-5.487931453110977,2.8884401402586217,47.393195322237446,-6.025601319619798,-8.072980777775975,2.732239392000474,-0.03734669390799468,-1.2038323252506333,-10.672101129702549,-6.012110532538674,1.1612810618981824,0.0773936094674556,8.803597633136714E-4,0.017574544378698244,-0.0050905105663567,-0.014376583826429857,-0.03234535305719902,-0.004463599211045397,-0.00520606634391257,0.008704624150777789,0.20926343537254433,-0.042474113929073055,-0.04358984766715461,0.004200273951928063,-0.0012623317085034289,0.03408071781636579,-0.04275082286708787,-0.01571635328160274,-0.0031811827380374418,1.1667468742956206,-0.2578080477930788,-0.24137878844357738,0.005892212021846409,-0.015704435984400123,0.24033501333239216,-0.22494662508580687,-0.06758290381983043,-0.02815675000926093,1.490795529257066,-0.015496383957922369,0.2303583168967787,-0.08507971729125553,-0.1708525093140475,-0.49934253780407606,-0.05147928994082848,-0.17125395971549787,0.1381218496603111,-0.6196863371864165,0.09520639050049233,-0.008598560367653491,0.04826366177475438,-0.14899118920478285,0.0758874146429239,-0.030402895486095583,0.007984379083760464,-0.018866736119857723,-0.03301568144865055,0.06264543033328596,-0.04259124808598433,-0.3065365272774093,-0.20290273003087722,-0.16170328223471364,0.08510861609861121,-0.1271406428422967,-0.17034050400876932,0.057650457484947744,-7.88018061539547E-4,-0.025400952965198804,-0.22518213969622497,-0.1268559862161841,0.02450311809537973,0.011375096333811218,0.2270800457509147,-0.065774301022842,-0.18575931430714937,-0.4179331249668669,-0.057674002307934256,-0.06726739300228331,0.11247213058900071,-0.2029695911923547,-0.2083013097321715,0.020071705047040176,-0.006032261232145712,0.16286035711730093,-0.20429189070216727,-0.07510319828986593,-0.015201808822330066,-0.22096313559761682,-0.20688188137577032,0.0050501202545784486,-0.01346001976125377,0.20598727849816212,-0.19279813817509467,-0.05792422101891728,-0.024132698042374875,-0.010394707828004389,0.1545203969129,-0.05707001102535824,-0.1146049246600514,-0.33495038588754156,-0.03453142227122391,-0.11487421068457444,0.09264976111723634,1.6291174200606995,0.9418386220777049,1.1712928109173195,1.5224622252624525,1.8199092010628173,0.7047684048072675,0.4541313406619912,0.11371365795409272,1.1246481902981424,1.0479001493265883,0.9084407362298168,1.1195477782515044,1.455395789756066,1.1344218515360336,1.0169952137537723,0.6351923863926396,1.5035364552620794,1.2511185831847833,0.8497221591322036,0.8920545126456524,0.9027390793034568,1.286084028606602,1.0458203146051996,0.8458342989906513,0.708875860887861,0.7154961909252359,1.163841584837539,1.7466260229733204,2.3239629695041475,0.7163696883881566,0.6994254561653821,0.05456438202058831,1.6875178376234876,1.3210761510579965,0.8713441808947943,0.880677631434829,0.7031911940583625,1.2936686160804851,0.9847492464462,0.856368448259933,1.7165999771399083,1.324714486095753,0.8877137586430557,0.9044780499500926,0.6894253671421348,1.277801670403642,0.9557026644208398,0.8343310237087616,0.5783351708930546,0.5113908729207618,1.0029876752244458,1.6823318632855588,2.2484840132304327,1.1134922822491742,1.1238348200861996,0.06569276001470055,55.25501014603964,27.877505073019822,42.991463453778934,55.65501014603964,5.565501014603964,27.877505073023237,0.5000000000000036,0.0790344630949451,0.007903446309494511,-2.5378712799326992,94.76889079358116,9.476889079358116,4.5514411992201,55.27133787103416,27.884934514615757,43.00447293169426,55.67016279759204,5.567016279759204,27.884934514619147,0.4985311581973555,0.07906436302963221,0.007906436302963222,-2.537493036326766,94.77096179428956,9.477096179428957,4.551463052151609,69.79556021452706,34.49878562920553,54.820059349075684,69.15716904963426,6.915716904963427,34.498785629205535,-0.7979889561160078,0.09370278693626116,0.009370278693626116,-2.36762734699693,204.85378535163906,20.485378535163907,5.322296482473063,55.288474281043705,27.892731940740777,43.0181276353321,55.686065961393986,5.568606596139398,27.892731940744138,0.49698960043785334,0.07909569362537955,0.007909569362537954,-2.537096847847579,94.77327557627011,9.47732755762701,4.551487466314897,85.27613614410944,41.555773807715575,67.71102508802846,83.5444653211668,8.354446532116679,41.555773807715575,-2.164588528678294,0.09791901517096974,0.009791901517096973,-2.32361451775471,70.59926182559867,7.059926182559868,4.257019688716471,56.965725906871384,28.655997139313985,44.35883958701385,57.24274060427666,5.724274060427666,28.655997139315502,0.3462683717565831,0.08192755074647368,0.008192755074647368,-2.5019199497403704,95.70107874814501,9.5701078748145,4.561229570580801,54.223109410459855,27.35372484938851,41.943659779099136,54.89507889808308,5.489507889808307,27.35372484939553,1.1751984126983999,0.09251418108110077,0.009251418108110077,-2.380393337229506,74.66464821720118,7.466464821720118,4.313006730016196,0,11.890000000000002,15.99591865928236,-0.31565217871082396,0.26147288429944515,4.154010431239899,6.741478623656062,9.0,25.0,24.0,24.0,8.0,1.0,1.0,0.0,0.0,1.0,20.365311999999996,3.5542490285184747,3.3147326082606714,2.984982004370629,2.6654206135324428,2.100900782196973,1.9257387870471103,1.332145321353772,1.3321275105348203,1.8312881112802883,1.7779421699930313,1.4192474978269936,1.268158369272637,0.9080367017036356,0.7266528329429882,0.5832100381361981,0.39037638179050127,3.4682366644553126,3.3366331686529933,2.919893468456897,2.6650420986640575,2.0933056157575125,1.903348768901416,1.4153453890680454,1.3689062055897725,1.8037373867166786,1.7160918568119121,1.3966103321508287,1.2072016697876637,0.8291475564477898,0.6696567221054365,0.4424097343439395,0.38356830244688117,3.64670589983019,3.487049665627559,3.1633597104388054,2.902308824418374,2.4331718055329152,2.2637989123486624,1.8676714402483972,1.8326445007453065,1.5927220363542305,1.5061182962917057,1.0972034628548006,0.9024668337797712,0.4150944701528175,0.24745001612313075,0.07545989772688888,0.13132786422361611,3.462638699928791,3.357679435063828,2.911451683745329,2.687240545596325,2.113792314050601,1.9329092771621825,1.4835156990745437,1.4338273957690193,1.7970408917783909,1.6759932971417362,1.3843614862940754,1.164934785005388,0.7794568232275257,0.6253360359033427,0.3493997733242302,0.3107012819373127,3.673805730933127,3.5532902167761895,3.2145695207114393,2.987293452598459,2.5431440878841043,2.3795007697095127,2.0487231731013478,2.0081594924149084,1.5524986388288606,1.4435578058053014,1.0428549036918318,0.8193068805476923,0.30644837601117875,0.13340890640786654,0.25352181039575034,0.29941681058980724,4.959411175156742,3.4975631660263438,3.328687141149837,3.1089865608856777,2.571290744063798,2.36919285688388,1.8157990030742803,1.659901479096815,1.6654298336718287,1.5930562391576728,1.1212055642804115,0.9349594595894284,0.5479261953442909,0.31798944600938533,0.17726371778375302,0.21727593082137678,0,0,1,0,0,3,4,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.49279927982674443,0.348461712529338,0.08333333333333333,0.10059223176554563,0.07112944921610614,7.819990956308912,4.8080604124904465,3.3896287658987125,2.081951230073507,1.3799361269508954,0.6371368471241509,0.4206304961780412,0.14433756729740646,0.7819990956308912,0.5342289347211607,0.3766254184331903,0.2602439037591884,0.1971337324215565,0.12742736942483018,0.1051576240445103,0.07216878364870323,6.852030486860464,3.9646903780250446,2.324023571050758,1.2150648134534223,0.6066347301421143,0.2758624224628117,0.16760924698975685,0.07216878364870323,0.6852030486860464,0.44052115311389384,0.25822484122786205,0.1518831016816778,0.08666210430601633,0.05517248449256233,0.04190231174743921,0.036084391824351615,13.764220639120705,25.76402039329934,24.501960784313734,24.879999999999995,15.348914970059875,200.53508263473057,0.5293931015046425,0.9909238612807438,0.9423831070889898,0.9569230769230768,0.5903428834638413,7.712887793643484,2.1298000000000004,40.775000000000006,31.2641207165385,48.34375653423612,62.528241433077,6.2528241433077,31.2641207165386,0.07014467877058805,0.007014467877058806,-2.6571953303273683,225.91372370114308,22.591372370114307,5.42015317285109,107,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.57954081632653,-0.05930555555555528,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.698843537414966,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.050334939531368,0.0,4.096096466364323,0.0,0.0,0.0,0.0,0.0,0.0,-0.05930555555555528,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.695651927437641,4.8838888888888885,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.8838888888888885,-0.05930555555555528,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2724546485260771,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9732943594104309,0.0,0.5592403628117912,0.0,0.0,0.0,0.0,0.0,0.0,-0.05930555555555528,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.695651927437641,4.8838888888888885,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.695651927437641,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0770405801209373,0.0,1.0827430555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.695651927437641,4.8838888888888885,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.666666666666664,2.3666666666666663,0.5559027777777779,10.695651927437641,0.1630555555555555,-0.05930555555555528,3.7324252739984876,1.725972222222222,3.6956519274376416,10.313162792894936,1.725972222222222,3.6956519274376416,10.313162792894936,4.66666,0.46667,0.0,0.03333,0.51282,0.85333,0.425,0.51282,0.85333,0.08782,0.0,-0.08782,0.0,0.54687,0.16742,0.0,0.28571,0.10714,0.0,6.75,0.675,5.25,0.525,1.5,0.15,-3.75,-0.375,0.0,0.0,8.33387,0.83339,11.45959,3.12572,0.31257,3.75049,0.37505,4.80805,1.05757,0.10576,0.10595,0.01059,0.10595,0.01059,0.0,9.02,2,2,2,2,0,0,0.875,1.2389012566026307,1.9790978911348052,3.276610871654404,3.6423714487439023,3.7192945256669785,3.411602217974672,32.2114326716684,51.456545169504935,85.19188266301451,94.70165766734146,96.70165766734144,88.70165766734146,0.2635713530845122,0.4210452659347133,0.6970860319745197,0.7749001512957111,0.7912652323382774,0.725804908168012,3.4615384615384617,2.7213418270062872,1.4238288464866886,1.0580682693971903,0.9811451924741141,1.2888375001664207,0.2635713530845122,0.4210452659347133,0.6970860319745197,0.7749001512957111,0.7912652323382774,0.725804908168012,11.26589917459177,20.455559913593245,23.773478104588037,24.142100769897596,24.21962577235913,20.527318080051444,36.565211176569775,22.92976312449921,19.81351138377259,18.592284337256256,18.343243100008944,23.975230011784273,10.0,7.111111111111111,7.0,10,3,4,2.1199999999999997,1.310200000000001,0.12499999999999997,3.144379939350744,0.5163977794943223,0.0,3.838519496373775,2.3052697787043193,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,4.356000000000001,9.0,8.0,7.0,5.0,4.0,2.0,1.0,0.0,0.0,55.0,2.3978952727983707,2.4849066497880004,2.3978952727983707,2.302585092994046,1.9459101490553132,1.791759469228055,1.0986122886681098,0.6931471805599453,0.0,0.0,4.174387269895637,1.1636363636363636,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.6666666666666666,8.0,0.8888888888888888,0,4.0,8.0,1.0,1.5,0.666666666666667,0.375,0.16000000000000003,0.1111111111111111,0.04081632653061225,0.03125,0.0,0.0,0.0,0.16666666666666666,0.07407407407407411,0.046875,0.02285714285714286,0.02222222222222222,0.010204081632653062,0.015625,0.0,0.0,0.0,0.3585241874527589,31.2641207165385,48.34375653423612,62.528241433077,6.2528241433077,31.2641207165386,0.07014467877058805,0.007014467877058806,-2.6571953303273683,225.91372370114308,22.591372370114307,5.42015317285109,26.3,161.8683304080556,4.321928094887363,3.6109179126442243,4.2626798770413155,4.962844630259907,5.638354669333745,6.35088571671474,7.034387929915503,7.751475318021456,8.437933510430605,9.156834104453042,76.20631366881454,2.9444389791664403,0.0,4.007333185232471,0.0,5.231108616854587,0.0,6.532334292222349,0.0,7.874358824729881,8.183955717304954,144.115029752,5.542885759692307,18.65329824543886,1.865329824543886,5.3932765282977355,5.3932765282977355,0.0,150.0,8.0,2.413,36.0,1.2351999999999999,2.1216674005554426,2.8532487922748118,3.6398850964764886,4.890343179483988,5.863531322433136,6.985406627937396,8.011018421855143,9.299230481959631,10.268050758052597,91.62129166719997,95.83301523554124,98.10363538545778,147.53338837192783,163.63521150046515,190.11333741726494,124.13822523900252,94.99833665582702,46.2195480395994,10.432996725429955,284.10295800329686,319.6768093612129,343.15692857926814,480.0007917509393,638.3315948515137,814.8858995670159,709.4094904425572,659.1126694354602,566.395778016373,319.1694655671267,9.406569306879998,16.001990169836798,21.30978169451492,28.138696957300393,38.54313716007897,42.88965535987224,50.267984859401736,55.40449052502301,63.799937945350294,68.9855293681491,2.022545399699199,2.474236991120137,2.7119712154633313,3.6105204138116536,4.883718601710887,6.729821358014532,6.443217413850973,6.558469902815421,6.352318206014201,4.56530787467474,179.56309980875614,336.23642444724953,476.8901538468257,602.0580485022745,819.3674160880443,930.1474027258138,1163.145102838965,1357.9268318804632,1614.1790834588821,1898.743837044896,3.300023333333333,5.534151721955187,6.492588331601473,10.488874586363266,14.05661620960945,13.737326041811274,13.648495628217292,11.33264022256294,12.614608279282725,10.268050758052597,0.45204840000000013,0.5766702770587456,0.6518236393618368,0.9014384771780751,1.196163192461636,1.5000520842380416,1.4414633829824848,1.428867774086523,1.4084371862643246,1.051448397624586,427.22750843124254,359.4797096448767,14.059285151241317,181.37167880536882,-152.61058136019093,-19.137163591316124,245.85582962587372,512.0902910050677,33.19644874255744,0.7019850131103528,0.5906674165588693,0.023101058046229937,0.2980149868896475,-0.25075712317844256,-0.03144460918229254,260.01031439637666,218.779059117925,8.556469516173221,110.38265630868716,-92.87867577951893,-11.646862207689061,0.3107108987277454,0.3750894968681852,2.3451453020921638,3.461007856683692,562.5196070094644,46.07958022714696,0.9242858334458603,0.07571416655413991,710.1477289215646,26.6485971285838,8.921740097531272,865.1403062301666,29.41326752046033,9.528594570049481,1215.0715660021701,34.85787667087842,10.670889417697529,2.5170260052591105,2.5170260052591105,1355.361688268934,1286.0731041086588,92.67644658597078,1.0538760852232403,14.624661801330939,13.877022172139933,4.8731932394101,5.518792455631,10.965482720923825,0.9869351509559656,4.475634912546363,6.190062996070934,3.8423230170280296,20.2421175116681,5.699531193842678,1.7093782871987002,7.482500049781186,9.778443828152405,5.1758670880236695,3.4360371138132693,6.095683591474058,4.636826747973239,1.998165878716897,1.3998445784853495,3.322868689806804,6.439622025036,4.175908828872031,0.41954174651170195,3.8807248993625487,0.010969386406621439,1.8334882275031215,7.813720550947695E-13,6.632928961078344E-47,1.0859972481945007E-102,3.4294778989274117E-180,2.0888304840147237E-279,0.0,0.0,0.0,0.0,0.39211654491545817,6.340943916997342,0.34058789588241006,7.0188332128280955,0.1030345869861761,1.6889615349353468,1.897391013473615,0.7016751883873943,0.32254797728417095,0.3841075850106217,3.9702751878522453,0.12062569268769315,0.4763259466883003,0.012592274433674921,0.026274817359213342,1.6302007302986166,0.22288451273622514,0.27093121602809334,0.027754406532195398,9.114220048139623E-4,0.012913407501992347,5.503267273141407E-15,4.67162610162031E-49,7.648767415908612E-105,2.415409325438431E-182,1.4711803892735992E-281,0.0,0.0,0.0,0.0,1.2183825688571535,6.059867195279102,0.8187668245161002,7.136717716979916,0.46429361276188863,1.5148265752268686,2.0419915519988807,1.7036390757456457,0.6258160634499075,0.6653852019268396,4.402653744984,0.5052318232641027,0.6466927815531949,0.1097100586153213,0.25125739971794775,2.1286872054293733,0.8035582668196458,0.29312224645519847,0.2859071950958422,0.002948218822105926,0.13456766246027763,5.734828802750378E-14,4.868194582154037E-48,7.970605370444305E-104,2.5170427461447135E-181,1.5330833942273186E-280,0.0,0.0,0.0,0.0,4.229749368703215,6.3406175853244715,4.109772574074021,20.407396454859487,5.140206452952796,1.7940924079927374,8.26335005851265,9.52074271981155,4.803899849929617,4.315790158034676,5.965427313073167,4.284558468478305,1.8973658833326215,1.2490996644125008,2.9625934296661787,5.974245844143742,3.8538773855490382,0.40756299911891075,3.4579464683461465,0.010347896977516171,1.6336050014221217,6.961884336244664E-13,5.909820288102599E-47,9.676039963437274E-103,3.0556030651933446E-180,1.8611103549088015E-279,0.0,0.0,0.0,0.0,1.7880899915085848,5.953072815486179,1.076955427746343,7.8167966808024065,0.9345368954622829,1.4559055512697552,2.2128117547196697,2.500032864606354,1.0205539384508908,0.6588556970104337,4.699921759980156,0.9005175548170664,0.7946481039989836,0.2316204650451698,0.538698354086011,2.6143602505278283,1.269342822552,0.31077368086998963,0.6199903232919831,0.004351240394718474,0.2922989446866532,1.2456814485407092E-13,1.0574369152863501E-47,1.73132199497213E-103,5.467353188560227E-181,3.330061993025669E-280,0.0,0.0,0.0,0.0,5.405000361478282,6.285574082481742,5.1778144043622385,26.5550722392662,8.2925408686226,1.8255486324830417,10.066782164003719,13.40633421833805,7.367555481057871,5.018362543531332,6.579457894760954,6.605766093523286,2.5940087140134813,2.032716905962495,4.836725411128223,8.356797870898243,5.459114514752303,0.4671647215413474,5.658296703402269,0.013277008512617233,2.673970265705848,1.139557707780989E-12,9.673503516636284E-47,1.5838249227621645E-102,5.0015712078585755E-180,3.0463629493611335E-279,0.0,0.0,0.0,0.0,2.836919371590724,6.2787743522427135,3.336163595620279,20.53384294172506,2.5045992600379154,1.7527653666290743,9.350190247163988,7.741291497756505,3.030041774650592,4.439705696189293,5.135541415744242,2.5804904146629735,1.4186788282107698,0.5233233315817047,1.233603317242251,3.990559067722769,2.0061604776125557,0.48140347148774404,1.4346791397619247,0.008055174015426148,0.6768717955723749,2.884603773334961E-13,2.4486890444359086E-47,4.009193494376109E-103,1.2660658675098151E-180,7.711369067729407E-280,0.0,0.0,0.0,0.0,12.250394954093128,0.8272287935587979,0.44627447307692314,0.9058331225323961,0.06116792510985163,0.6038209294439135,0.5221555919558195,0.538444490662921,13.523898220728848,15.970089085574864,34.01647901294235,0.8587496837985942,1.664421012062654,8.867018706654411,0.5871045887940336,0.08110142836617798,0.9299223629736445,0.061572181652700356,0.3166487119592656,0.2594896984089453,0.017782542367913705,9.535224723814624,5.972610274810168,15.930038278346379,0.8948835444604667,0.5939209527361246,10.827405863604616,0.6099638701380161,0.22837841761227323,0.9281364318110262,0.05228673396889445,0.4717072241781387,0.28407058233267635,0.14100904291067082,11.665748151354904,9.216374785557969,22.39040854591303,0.8922046477165393,0.8967868494214859,11.873451611942954,0.8366456478368756,0.4251050105953527,0.9039412844613783,0.06369491924184723,0.5672305447963994,0.5344371165796866,0.48857280964455985,13.135202270375181,15.336997646220475,32.69513851514007,0.8559119266920675,1.590240471020646,11.63047688140799,0.6420719797120578,0.3018368601406885,0.9249339998965685,0.05106189629815827,0.5442524851544046,0.31469573310839,0.246309631681815,12.574385721260736,11.171910930404605,26.0002945894157,0.8874009998448528,1.1052578499446095,12.337723225901456,0.8615982096862522,0.4711484281890189,0.9025090833632052,0.0630262323293853,0.6124607852951794,0.5664294879461511,0.6001396754266001,13.670469863776729,16.84899979057996,35.527852944262946,0.853763625044808,1.7790299486679304,11.973128295810302,0.849409898182822,0.4282941233447979,0.9035755648454006,0.06410238072905201,0.5767951956108188,0.5509037179829239,0.495930794971363,13.250832317337922,15.661911441525564,33.26853511873203,0.8553633472681008,1.6236297085651057 +UMLCN0150,L,methyl dodecanoate,CCCCCCCCCCCC(=O)OC,Esters,,C13H26O2,NREL (2014),IQT,PubChem,,66.5,0,-2.4947,6.223528089999999,48.64070000000001,41.82061799999997,0,0,41,15,26,0,13,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2413.7872389999975,2478.181586,2812.4440939999986,2634.8135289999973,2318.4879629999973,2079.4466419999953,1882.6899129999956,1685.9331839999961,1489.1764549999968,6746.678631874182,8550.026451103575,11157.591007062221,11595.867199883507,10761.853477469993,9695.51670722405,8688.718362268904,7681.920017313766,6675.121672358644,299.4102040000001,298.10576000000003,558.3322640000005,724.5075160000014,694.2375000000011,643.2498800000006,580.3649800000002,517.4800799999996,454.59517999999974,49.10204352607404,63.64807206000002,90.60029976558391,99.4886949676578,92.95921868626185,85.00106329795983,75.97953443856392,66.95800557916805,57.93647671977208,6827.088153405475,5835.954142770401,11985.38067375364,16666.39904188986,15895.898483950516,14970.896410968962,13491.941255930367,12012.98610089177,10534.030945853174,120.52777777777777,92.25,159.41666666666669,181.83333333333337,180.08333333333334,152.83333333333334,140.58333333333334,128.33333333333334,116.08333333333333,58.87285948780482,61.95453965,37.005843342105244,26.08726266336631,24.150916281249973,23.104962688888836,23.24308534567896,23.415738666666613,23.637721507936458,164.55313736278492,213.75066127758936,146.8104079876608,114.81056633548027,112.10264039031243,107.72796341360055,107.26812792924574,106.6933335738023,105.95431225966101,7.302687902439026,7.452644000000001,7.346477157894743,7.173341742574271,7.231640625000011,7.147220888888896,7.164999753086422,7.1872233333333275,7.215796507936504,1.197610817709123,1.5912018015000005,1.1921092074418935,0.9850365838381961,0.9683251946485609,0.9444562588662203,0.9380189436859743,0.9299722997106673,0.9196266145995569,166.51434520501158,145.89885356926,157.7023772862321,165.0138518998996,165.58227587448454,166.3432934552107,166.56717599914035,166.84702917905236,167.20684041036785,2.93970189701897,2.30625,2.0975877192982457,1.8003300330033007,1.8758680555555556,1.6981481481481482,1.73559670781893,1.7824074074074074,1.8425925925925926,0.29852585119596825,-0.15393679408093744,0.01928976421544264,0.014146217032353671,-0.03666983129462251,0.004831522683610445,2.4103020512025383E-4,1.4721014715830642E-6,-5.7258351244807246E-5,1293.16543897561,-18.95825139084024,-314.04072902796065,43.19015706008257,-226.2249836502097,14.242099321832246,11.496207828673608,8.75031633551497,6.004424842356162,1983.6094831360215,-153.58957869931274,-671.8268109526657,-10.409215658953269,-212.67821930438322,10.759887085638901,10.393974515326512,10.02806194501435,9.662149374702075,2.148779512195123,0.04560828078524976,0.6990282212968487,-0.004807676383108087,-0.3789664675788239,-0.04983951457466129,-0.07171464604402389,-0.09358977751338649,-0.11546490898274908,8.797830263100245,-1.0493481150968953,-2.7587908850444327,-0.3608853357876246,-0.48921929011901294,-0.04210779368005163,-0.04295754746326669,-0.043807301246480856,-0.044657055029695025,48.594392461270914,-6.319828068364122,-14.179095574869923,-2.5248613515423863,-2.002025588705342,-0.41464545517671136,-0.4283169279126795,-0.4419884006486512,-0.45565987338462455,40.819783197831974,1.3025150373454923,10.64503602353096,2.42091347742746,-8.35241919492367,-1.254808645647435,-1.7211976997818779,-2.1875867539163227,-2.653975808050767,0.007281118321852884,-0.003848419852023436,2.538126870452979E-4,1.4006155477577892E-4,-3.8197740931898445E-4,5.368358537344939E-5,2.9756815446944918E-6,2.0445853771987002E-8,-9.088627181715436E-7,31.540620462819756,-0.473956284771006,-4.132114855631062,0.42762531742656007,-2.356510246356351,0.15824554802035828,0.14192849171201985,0.12153217132659681,0.09530833083105018,48.38071910087857,-3.8397394674828185,-8.839826459903497,-0.10306154117775514,-2.215398117753992,0.11955430095154335,0.12832067302872238,0.1392786381251993,0.15336745039209643,0.052409256395003,0.001140207019631244,0.009197739753905905,-4.7600756268396904E-5,-0.003947567370612749,-5.537723841629032E-4,-8.853660005435048E-4,-0.0012998580210192567,-0.0018327763330595092,0.21458122592927426,-0.026233702877422382,-0.036299880066374114,-0.0035731221365111346,-0.005096034272073052,-4.678643742227959E-4,-5.303400921390949E-4,-6.084347395344564E-4,-7.088421433284924E-4,1.1852290844212419,-0.15799570170910304,-0.18656704703776214,-0.024998627242993923,-0.020854433215680646,-0.004607171724185682,-0.005287863307563944,-0.006138727786786822,-0.0072326964029305486,0.9956044682398042,0.03256287593363731,0.14006626346751264,0.02396944037056891,-0.08700436661378823,-0.0139423182849715,-0.021249354318294788,-0.030383149359948926,-0.04212660012778995,-0.5285479073280734,0.034859025197204616,0.019236269565268697,-0.0524613654708168,0.007372986263982055,4.0868468457153794E-4,2.8080650345459545E-6,-1.248246049571487E-4,-0.015026853556343575,-0.13100930783850684,0.013557923438146912,-0.07471350315172832,0.0050171983207146775,0.004499863656116907,0.0038531953253696945,0.003021764614408906,-0.07936507639492879,-0.1827138294797063,-0.002130219291756736,-0.045790929918479883,0.002471114592204817,0.0026523101643272625,0.0028788046294803845,0.003170011798962933,0.021755832806281867,0.17549838304484836,-9.082509377663187E-4,-0.07532194963539175,-0.010566308744951075,-0.01689331353741399,-0.024802069527992632,-0.034970470087308025,-0.12225534999072558,-0.16916615099560722,-0.016651606500229576,-0.023748742463390992,-0.002180360244455885,-0.0024715120805297963,-0.0028354518756221283,-0.0033033744693122687,-0.13330393574188554,-0.15741011547051642,-0.021091810496028266,-0.017595276297040968,-0.0038871571620564863,-0.0044614694130173625,-0.005179359726718501,-0.006102361558619986,0.03270663900414931,0.1406846473029045,0.024075263957931095,-0.08738848547717858,-0.014003872752420505,-0.02134316889503614,-0.03051728907330572,-0.04231258644536659,1.5769216881038397,0.9967003988714711,0.8168949864643187,0.8800352979746312,0.7141119612999303,0.7789507660604282,0.8530703229973365,0.9479908266264241,1.2355065213199958,1.2030529973031274,0.9235768404413386,1.038723633218236,0.9088989057544811,0.9174235819939657,0.9280794272933217,0.9417797998210646,1.5014696248801547,1.326624385927449,0.9875473072492869,1.0143676621891375,0.9530631850494412,0.9468664348572718,0.9391204971170601,0.9291614343082167,0.7190146737864573,0.7412099906324103,0.7354706927660503,1.017290274592632,0.7253812853288714,0.7950785017102253,0.8822000221869182,0.9942134056569514,1.6155860340533883,1.3411780221333818,1.0039202480024039,0.9920008842882221,0.9550649258639115,0.9482009287335856,0.9396209323206787,0.9285895083612266,1.6341050586623618,1.3332509140403437,1.0036150685837217,0.9851838395725045,0.950856691781994,0.9453954393456409,0.9385688738001995,0.9297918609560605,0.5552863070539419,0.5046429351386765,0.762831436670638,1.228298755186722,0.7167911479944674,0.790385738435531,0.8823789764868604,1.0006559968385695,142.9988978979834,71.7494489489917,115.41373362952052,143.43223123131676,9.562148748754451,71.7494489489917,0.5000000000000142,0.12575040343196797,0.008383360228797865,-3.1101843927013952,101.30902342177619,6.753934894785079,6.927263225271599,143.0104409667236,71.75448606246047,115.41955987180934,143.44250130382798,9.562833420255199,71.75448606246047,0.49853115819733773,0.12564667359320092,0.008376444906213395,-3.111422233402025,101.31914399476611,6.754609599651074,6.927413064849098,153.47314055450795,76.33757579919596,120.79895861422106,152.78155012587408,10.185436675058272,76.33757579919596,-0.797988956116015,0.03220141611619698,0.002146761074413132,-5.1536172729523955,122.04533155023867,8.136355436682578,7.2065888187031675,143.02255630712907,71.75977295378343,115.42567521901097,143.4532806275085,9.563552041833898,71.75977295378343,0.49698960043778584,0.12553780399813025,0.008369186933208683,-3.1127225080399956,101.32978294197117,6.755318862798078,6.927570563051171,164.9973303351414,81.41637090323152,126.95870391474318,163.12135361028683,10.874756907352456,81.41637090323152,-2.1645885286783653,0.07118018888831767,0.004745345925887845,-3.963811117848582,150.20601024848702,10.0137340165658,7.518011630249115,144.2111321341211,72.27870025293885,116.02689967519512,144.5112313896435,9.634082092642899,72.27870025293885,0.34626837175660796,0.11487051838605938,0.007658034559070626,-3.245924568043064,102.46022065221295,6.830681376814197,6.944211948080493,152.10100567059737,76.13003659826501,124.31804553716093,152.80708625667796,10.18713908377853,76.13003659826501,1.1768009768009478,0.18281939042464262,0.012187959361642842,-2.5488848265818054,96.73966605321964,6.449311070214643,6.858035273078661,0,11.99620669598874,15.998261752474773,-0.3495981984531074,0.26123626678703665,4.035503542662305,7.568695105123434,14.0,40.0,39.0,39.0,13.0,1.0,1.0,0.0,0.0,1.0,31.29738199999999,3.568954310693368,3.4768812333470502,3.302014097854695,3.0602303885092668,2.7919257327739544,2.5943889406181886,2.353564008157139,2.039847399200874,1.9388791820309503,1.8409779550086303,1.6892745001016995,1.5125678932714492,1.4083052840002641,1.2529798325203598,1.0511315121853322,0.8696252350381776,3.564075259966305,3.4546207679274947,3.2762453053206,3.043121721772839,2.7949742790060355,2.5941093451749566,2.3525961451646227,2.063721829920939,1.8830192442344607,1.7903617793981135,1.6483418944988664,1.4855119991481878,1.3401885693605478,1.1689993655165467,0.9687873364118472,0.780223771972678,3.6937095507932427,3.605257074054304,3.4511800637485486,3.246136600475008,3.0293913237936976,2.843388417143453,2.6247395938575186,2.379210851561815,1.70641788634793,1.5967166246144529,1.4255028661575797,1.2166062374923636,1.0299011626920769,0.8576454031363071,0.6233389365553232,0.38567682108265655,3.5814207911993714,3.465673608146278,3.2818488252274713,3.0480851773851096,2.81124776704004,2.622512011717639,2.376275007992,2.095225287144896,1.8498684472358247,1.7653688792157227,1.6299585833446781,1.4614653481500832,1.2909719928340206,1.1175585964411126,0.9204956129245423,0.7251404325784562,3.7458810082226046,3.6505067404556133,3.498288018065742,3.3074666531447936,3.1168942782832127,2.935822293705454,2.719794969072894,2.4960214883045375,1.6533838981294224,1.5453561580117614,1.3743696858597276,1.1597017160078298,0.9478563186221531,0.763146227099922,0.5278751858561997,0.27389799525465086,5.086673562011486,3.573255817486982,3.456747705402725,3.3914489494859095,3.2249438740859104,2.9518395813684255,2.6421480831342263,2.3353792467007723,1.8155216679141468,1.687461134018831,1.4913601469077353,1.2520913375088987,1.0231329717709052,0.9394783202104438,0.7252146640813236,0.5062277718781776,0,0,1,0,0,1,10,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.49279927982674443,0.348461712529338,0.24639963991337221,0.10059223176554563,0.07112944921610614,0.050296115882772816,11.355524862241651,7.308060412490448,5.130522265327406,3.4974002407106264,2.0075835968384976,1.2945759751233812,0.8270151031226118,0.5222879875616906,0.7570349908161101,0.5220043151778891,0.36646587609481474,0.26903078774697126,0.1825075997125907,0.12945759751233812,0.09189056701362354,0.06528599844521132,10.387564392793204,6.377156752707548,4.154559737906268,2.712125131752582,1.6820598116931937,1.0643958992096243,0.6642532105499599,0.40719794960481215,0.6925042928528803,0.4555111966219677,0.29675426699330487,0.208625010134814,0.1529145283357449,0.10643958992096243,0.07380591228332888,0.05089974370060152,21.473359658050043,40.203204661325586,38.12941176470587,38.68,24.341687425149725,315.6763580838324,0.5237404794646352,0.9805659673494045,0.9299856527977042,0.9434146341463414,0.5936996932963348,7.699423367898351,4.080300000000005,63.860000000000056,74.48153107657885,118.49718177909048,148.9630621531577,9.93087081021051,74.48153107657885,0.07078021905852716,0.004718681270568477,-3.9722635637225157,108.60910933851547,7.240607289234364,7.031632925565947,277,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.379952993284974,-0.07134648618910844,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.063255205519712,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.697297753915095,0.0,12.160762405655706,0.0,0.0,0.0,0.0,0.0,0.0,-0.07134648618910844,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.796679532353753,4.58327346093122,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.58327346093122,-0.07134648618910844,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.21504972057856675,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4544283805735896,0.0,0.5896177685950412,0.0,0.0,0.0,0.0,0.0,0.0,-0.07134648618910844,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.796679532353753,4.58327346093122,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.796679532353753,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5125,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2428693733415055,0.0,1.387560155426317,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.796679532353753,4.58327346093122,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,31.166666666666668,2.077777777777778,0.5559027777777779,10.796679532353753,0.21504972057856675,-0.07134648618910844,7.468779963770036,1.7380131528557752,3.7966795323537537,10.24564473325296,1.7380131528557752,3.7966795323537537,10.24564473325296,7.16666,0.47778,0.0,0.02222,0.48374,0.80222,0.42766,0.48374,0.80222,0.05608,0.0,-0.05608,0.0,0.59557,0.11872,0.0,0.18605,0.06977,0.0,9.25,0.61667,7.75,0.51667,1.5,0.1,-6.25,-0.41667,0.0,0.0,15.87426,1.05828,19.42345,3.54919,0.23661,6.18293,0.4122,7.30805,1.12513,0.07501,0.10595,0.00706,0.10595,0.00706,0.0,14.02,2,2,2,2,0,0,0.9230769230769231,1.1546947117521669,1.6809481586510302,2.766822504991455,3.3472499463846646,3.6419740429683922,3.761797810344412,47.342483181838844,68.91887450469224,113.43972270464967,137.23724780177125,149.32093576170408,154.2337102241209,0.2155265521933986,0.3137530269798767,0.5164340920268286,0.6247722735121215,0.6797832367896935,0.7021486318941619,4.202857292865917,3.676603845967054,2.5907294996266286,2.0103020582334192,1.7155779616496916,1.5957541942736717,0.2155265521933986,0.3137530269798767,0.5164340920268286,0.6247722735121215,0.6797832367896935,0.7021486318941619,10.12501148078941,16.63492672747821,20.109463362104567,22.31426208526739,22.84045324210993,22.2226242576918,55.218571421802295,41.99260266796572,36.54825889342655,30.793985417512154,28.969869663883227,30.62181887616517,15.0,12.071428571428571,11.928994082840237,15,3,12,2.6699999999999995,2.014700000000002,0.07692307692307693,3.5815951691429664,0.42640143271122083,0.0,15.159595654909138,2.2081252132060087,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,6.851000000000001,14.0,13.0,11.0,10.0,9.0,8.0,7.0,6.0,5.0,112.0,2.772588722239781,2.833213344056216,2.772588722239781,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,4.8283137373023015,1.1071428571428572,0.46153846153846156,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.0,0.7857142857142857,13.0,0.9285714285714286,2,7.0,13.0,0.8571428571428571,1.5,0.666666666666667,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.10714285714285714,0.04761904761904764,0.019230769230769232,0.014545454545454549,0.011111111111111113,0.009070294784580497,0.0078125,0.007054673721340387,0.006666666666666668,0.006611570247933884,0.2477541626897479,74.48153107657885,118.49718177909048,148.9630621531577,9.93087081021051,74.48153107657885,0.07078021905852716,0.004718681270568477,-3.9722635637225157,108.60910933851547,7.240607289234364,7.031632925565947,26.3,248.34825353738904,4.906890595608519,4.04305126783455,4.709530201312334,5.3981627015177525,6.07993319509559,6.774223886357614,7.461065514354283,8.157943507105037,8.847216104357543,9.54559758504085,90.01672396297556,3.367295829986474,0.0,4.442651256490317,0.0,5.659482215759621,0.0,6.9363427358340495,0.0,8.245121966478605,8.565983355585669,214.193280072,5.224226343219512,28.654940580505006,1.9103293720336672,5.135284204433432,5.135284204433432,0.0,538.0,13.0,5.614999999999998,56.0,1.2406249999999999,2.1371081880088374,2.8707253870985814,3.622287537109092,4.924580448044463,5.947388476312878,7.261303113348703,8.37023640238959,9.665293919740517,10.809183324268096,88.09638656337498,87.5316622093095,88.03470357092299,110.30770176145012,133.8055181750868,162.68467494534636,192.08841313850658,222.49940047864652,253.86590403917563,287.33464725366326,290.1168424276861,335.1514391438218,361.96970365961477,474.8514108316387,585.6511406610342,709.9643392596752,835.9541070375516,957.2136921720297,1075.7544388521635,1185.027216932477,9.295112654300004,15.768080838455397,20.65230954337071,26.33696101928916,35.34747146909654,42.82602928451531,52.366398555580176,60.613650389760856,70.30436261523505,79.2054129096263,2.104871416569499,2.6729088962369993,3.010225847622343,3.948603268748837,4.983950572904404,6.03056748583508,7.12535294373921,8.133997223970939,9.125241353119133,9.979769988368771,178.97176182222077,333.64188854765564,469.98294773581955,585.4281364803664,809.7025747385953,976.0963663782636,1200.3647317227844,1385.4434365102893,1609.2467354005903,1806.6681065546734,2.941014583333333,4.640604221293269,5.260755153314061,6.948751763619572,8.590558823353948,10.623778098811606,13.205000129431452,15.728866777121809,18.868750024002697,22.31383035086524,0.45639618750000005,0.5921187894830918,0.6687575642386827,0.8787284086288171,1.1083997997876194,1.34736030673532,1.6049057390819403,1.847299141871736,2.0981465463809164,2.332271253973409,578.5136188335075,649.2027435857773,19.18878056097977,199.7182526530985,-224.12201432351,-22.894070672134614,378.795366180409,873.3247579092873,42.08285123311438,0.7433692194183852,0.8342022055016163,0.024656893740839316,0.25663078058161454,-0.28798873772078254,-0.029418058435979427,450.2177362652897,505.23026611499876,14.933320607517095,155.4271095322557,-174.41889464833318,-17.816895465121945,0.232747502735463,0.28422200129965036,1.4931973986796674,4.986101062532873,723.1459668951633,55.08590459144287,0.9292165913402957,0.07078340865970423,1020.5555746523144,31.94613551984519,10.068054391529985,1272.4185127787928,35.670975775534835,10.836191208674137,1762.147948063499,41.97794597242103,12.078531126822982,4.529938900654524,4.529938900654524,5555.020000817227,5480.814344590954,114.23968407951179,1.0135391661823954,48.62600982816869,47.97644871615944,6.66717103363813,9.082104609925413,17.16785703565216,0.8902950112345326,7.2646404469069665,10.932649534621046,6.866619876609137,47.37282669064242,20.45530913588736,1.55194110015356,8.571293001785541,9.15414649029439,34.18232347651099,1.4966142588895828,3.699267550199362,29.16964646961234,6.06155414200102,30.66403461827406,3.393519487470112,3.977569380567532,13.445823527517096,4.132547286984314,19.474098364226112,3.7663128331501636,6.340683098629869,6.833052162902371,3.786805315798314,4.929102257601759,3.4027829729576715,6.390488991906484,3.5617316914300243,1.7236334257340886,0.0066026833696678335,1.201753575370277,0.6261784530586719,11.083319928780485,0.617153594821167,10.968780975746364,0.37224840556093863,1.072460082591655,1.2657195997126947,0.34406019523739473,9.916442035230704,0.05287735136761423,1.939137130844851,2.85327687328232,0.2107893548241599,7.295121269564343,0.07855051340389321,2.1825753922884665,0.7212276214436769,0.16729068827939125,4.248754248686243,0.10713889503986053,2.3438572392328685,0.3393431762449644,0.17325063938372384,1.5527193155826324,0.13068292176638155,2.38976407213227,0.16515009841697406,0.26683841746592485,9.373893790386665E-4,0.030638466089327743,1.9739629405765957,10.802257668604796,1.476066377711733,13.174183128423246,1.9803473911927463,0.9525954005288502,2.635369491820948,1.283564021457847,12.445721802671642,0.21861386751946932,1.8009125391987104,6.87864872090153,0.8105788454843886,10.597542975461193,0.38947072279011924,1.929196903109565,2.2013119350449166,0.5539855583486294,6.547638530290321,0.48353501369509616,2.336513927974198,1.0445346234205837,0.49418769781125427,2.125009911048611,0.5239212094689577,2.4405153250315736,0.6205114326300637,0.4210469780067873,0.0013503883041118764,0.11897986574789582,6.862343085041053,11.08318114916716,7.460720731483114,44.34421565774866,18.593318718263607,1.7778209821442026,8.399525221059934,8.465372853459172,33.32250968611531,1.362607602094847,3.7382054526878887,27.448169535294152,5.494441613991341,29.441879329252266,3.0611943113637445,4.116743323030047,12.832701670203562,3.741211178021334,18.603389048860794,3.411223374608163,6.455061733627013,6.668836262778335,3.4200680258281992,4.852593100825985,3.1052992341173318,6.850171998357823,3.269857491722325,1.8683183298937625,0.006256668528227316,1.137553065352427,2.9016764389813594,10.695481681849753,1.9044737210973255,16.075866788804433,3.760887291484637,0.8935571886256217,3.538612472584319,2.1444328598521283,14.68061562165691,0.3706779704082015,1.8698983828906728,10.059609384656667,1.3986230609035506,13.214863338196496,0.711502178897254,1.9513071211846222,3.4153576947790834,0.9449897120753411,8.328555364724277,0.8519339971552057,2.559219747480168,1.5985125221711332,0.8382783260833634,2.5347405032281647,0.8754213111880979,2.611088013430495,1.003731803900184,0.49826145342877354,0.001866704303579743,0.20895405122692035,8.773128456260103,11.028257138393402,9.285615475118545,64.35243973149458,29.335409273842146,1.9002415593283375,10.478156624727301,12.660378406286037,43.42223477738246,2.044581080513672,4.532871379685801,36.9684637636489,8.404809430944324,38.15497845168806,4.770877155290634,4.8985050242618815,18.343213689124966,5.753595661308715,24.14028309942129,5.2298778734161,8.066696603105118,9.480677886595815,5.316749665652616,5.807750920059538,4.614558460003578,8.064951852712234,4.738759567163712,2.367082040863125,0.008824184329047994,1.7408039945826221,4.6959739667533,10.93534639214114,7.735622651038185,29.906148704906222,10.325137085087256,2.9069050557323894,6.296444071294634,5.237384352188714,28.94653818295416,0.7011304779936692,3.529240124171854,18.963234098101633,2.7666478730652995,23.39868476512217,1.4833870960084166,4.173032636148759,10.299146239461976,1.8819473053280147,14.514931483962412,1.6977064060276768,5.966066719945878,6.224361734333015,1.7125229807346507,5.049824668866687,1.6210406387031129,7.61424118079235,1.7709220199778628,1.7320392717867759,0.004396225534668136,0.6677234779312793,25.822466177482998,0.7952499546679257,0.48442917804878055,0.9527831056150706,0.029342693929422584,0.5287682186091485,0.6216901726526397,0.5853532034451593,27.102145310199706,33.42971340449104,70.4797645087538,0.929174658422606,1.7358115947069477,26.285642291854476,0.4420504691039043,0.09340136445889657,0.9800361673890338,0.0164814480362675,0.5478043499112506,0.19120015800473406,0.02176024864855092,26.821094125417275,14.115983478523383,42.022362277623465,0.9700542510835506,0.7607647565645356,25.220770216321664,0.5417723544082129,0.2505794452820125,0.9695403035743841,0.020826887063949303,0.5043934725283622,0.288568518716672,0.15662038933110448,26.01312201601189,20.119479686512847,49.55649820924085,0.9543104553615763,0.9495823805761386,26.108670029471725,0.7919637277792405,0.4663241871193317,0.9540216374265517,0.028938683261365436,0.5405239795300568,0.6166174772049099,0.5424170044522033,27.366957944370295,33.22153581374347,70.23073476802394,0.9310324561398274,1.69955846118717,24.970485430122256,0.6013969008482067,0.32579021016767545,0.9641980525646443,0.023222044370701463,0.49447892152548045,0.35538257704947407,0.26474847789190914,25.89767254113814,23.348241469340756,54.13836181178194,0.9462970788469666,1.1146099764668636,25.99809750696125,0.8305983767191805,0.5123241248051691,0.9508825017827588,0.03037920225585566,0.5359784954632423,0.678226518853295,0.6547070626507192,27.3410200084856,35.338965725339605,73.74310140218276,0.9263237526741381,1.8689120769672565,26.10470815496269,0.7981469665784056,0.46917547131620363,0.9537000942039969,0.029159216517413992,0.5403334106403304,0.6260202321481905,0.5490703725663647,27.372030592857296,33.457553358698625,70.6050395767021,0.9305501413059953,1.7154240153548854 +UMLCN0151,L,"2,2-dimethoxypropane",CC(OC)(OC)C,Ethers,,C5H12O2,Marquardt (2015),IQT,PubChem,,31.3,0,0.018999999999999517,3.6099999999998167E-4,28.7296,18.405515999999995,0,0,19,7,12,0,5,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1245.4493749999988,1202.4692539999999,1639.0135679999983,1300.1934219999994,540.7407609999998,109.220832,9.144576,0.0,0.0,2923.370995846528,3434.7912082481694,4251.3659056627075,4660.529575100785,3949.031178272953,1807.4344977365995,279.75369987837234,0.0,0.0,145.02758,140.628152,256.2631680000002,249.29543200000012,295.65686800000015,284.5704960000001,60.46617599999999,0.0,0.0,20.566262858187986,24.29769172000001,29.592492634187973,33.61402755199998,36.72408749964104,22.687330434563986,4.001516143641,0.0,0.0,3223.8861763459886,2704.4325983948006,5428.060438477789,4873.545974098601,6577.100029594742,7575.770759150365,1664.258868218241,0.0,0.0,54.0625,51.75,89.75,91.5,82.0,48.0,9.0,0.0,0.0,65.5499671052631,66.80384744444444,51.219173999999946,43.33978073333331,13.518519024999994,2.600496,1.016064,0.0,0.0,153.86163136034358,190.82173379156495,132.8551845519596,155.35098583669284,98.72577945682383,43.03415470801427,31.08374443093026,0.0,0.0,7.63303052631579,7.812675111111111,8.008224000000006,8.309847733333337,7.391421700000004,6.775488000000003,6.718463999999999,0.0,0.0,1.0824348872730518,1.3498717622222227,0.9247653948183742,1.120467585066666,0.9181021874910259,0.5401745341562854,0.444612904849,0.0,0.0,169.6782198076836,150.24625546637782,169.6268887024309,162.45153246995335,164.42750073986855,180.3754942654849,184.917652024249,0.0,0.0,2.8453947368421053,2.875,2.8046875,3.05,2.05,1.1428571428571428,1.0,0.0,0.0,0.301064385357052,-0.13505891068793635,0.08993227245295982,-0.10022895089674694,-0.0970203499617151,0.06660446562739926,0.02523928078751339,0.0,0.0,674.5538907368422,9.445055512465885,295.80304949584536,-607.2363702160659,-760.5897424459835,545.1891230027692,180.11193928254818,0.0,0.0,834.4666208125417,-220.3842274796501,361.5739016587783,-350.82601598028054,-995.1093319198751,570.5342212068347,216.9781421079218,0.0,0.0,1.933466105263158,0.0030556897506936456,0.27916866481994795,-1.6627140609418212,-0.6287086426592798,0.8336643988919593,0.2088008975069233,0.0,0.0,3.5978126041745284,-1.7841384756849168,1.1399183677492188,-0.048045131795145746,-3.380008910910842,1.5766396289798854,0.696728219574539,0.0,0.0,20.19020201887976,-11.109095811342481,5.454566255929819,1.6816976263649925,-16.69828970615873,7.191485224168178,3.3845354015983387,0.0,0.0,12.059210526315782,-2.1284626038781167,5.860803324099723,-9.448753462603877,-9.479916897506932,7.033587257617733,2.133137119113574,0.0,0.0,0.01584549396616063,-0.007503272815996464,0.0028103835141549943,-0.0033409650298915645,-0.0024255087490428775,0.0015858206101761728,0.0028043645319459323,0.0,0.0,35.50283635457064,0.5247253062481048,9.243845296745167,-20.24121234053553,-19.014743561149587,12.980693404827838,20.012437698060907,0.0,0.0,43.91929583223904,-12.243568193313894,11.299184426836822,-11.694200532676017,-24.877733297996876,13.584148123972254,24.108682456435755,0.0,0.0,0.10176137396121884,1.6976054170520253E-4,0.008724020775623374,-0.05542380203139404,-0.015717716066481997,0.019849152354570458,0.023200099722991478,0.0,0.0,0.18935855811444888,-0.0991188042047176,0.03562244899216309,-0.0016015043931715248,-0.08450022277277106,0.03753903878523537,0.07741424661939322,0.0,0.0,1.0626422115199874,-0.6171719895190267,0.17045519549780686,0.056056587545499754,-0.4174572426539682,0.17122583867067093,0.37605948906648207,0.0,0.0,0.6346952908587253,-0.11824792243767315,0.18315010387811634,-0.31495844875346257,-0.23699792243767331,0.16746636327661268,0.2370152354570638,0.0,0.0,-0.4735272268583313,0.1773616852940528,-0.21084637923099608,-0.15307246048767892,0.10008022555578416,0.17698183079270902,0.0,0.0,0.014779813674817887,0.26036920555940635,-0.5701294436980856,-0.5355837874824225,0.36562412296269114,0.5636856024176362,0.0,0.0,-0.27877423718452427,0.25727152980769413,-0.26626566549120007,-0.5664419892573809,0.309297949034984,0.5489314434485704,0.0,0.0,0.001668221792778644,0.08573017871150294,-0.5446447888224858,-0.15445660229068844,0.19505586041060088,0.22798532311319825,0.0,0.0,-0.5234450726267671,0.1881216742822512,-0.008457523172539002,-0.4462445405910773,0.19824315921621383,0.4088235957764519,0.0,0.0,-0.5807900183413881,0.16040694944160963,0.052752080557121155,-0.3928483530282913,0.16113216359601606,0.3538909757109801,0.0,0.0,-0.18630660120021839,0.2885638297872342,-0.4962356792144029,-0.3734042553191495,0.2638531681084876,0.37343153300600146,0.0,0.0,1.5107041800895598,1.492845426842259,2.1410359894604967,0.7780730524132612,0.016244507597387083,0.0,0.0,0.0,1.1240085520399021,0.8915863834363797,1.8596118525530407,1.4189260059036588,0.23075442810904956,0.0,0.0,0.0,1.7012805477792057,0.6704576391681312,1.356001548074257,1.5918453783966078,0.3468677168690946,0.0,0.0,0.0,0.9264315496010214,1.4847839805338954,2.3999874563968233,0.8537288528134475,0.015770641087007722,0.0,0.0,0.0,2.0972169868822816,0.7162107475735489,1.1509752283673762,1.5174137728008024,0.35965577501695045,0.0,0.0,0.0,2.175285131601215,0.7667046657446849,1.140041127791049,1.4621868308462194,0.3481336014230509,0.0,0.0,0.0,1.1505728314238959,1.1194762684124393,2.1363338788870716,1.1474631751227502,0.10661678746785136,0.0,0.0,0.0,20.975849079560827,10.73792453978041,14.599480038461634,21.332991936703678,3.047570276671954,10.737990532484764,0.4999999999999929,4.0735081636421784E-17,5.819297376631683E-18,-26.417609397232727,4000004.3038655473,571429.1862665068,10.641264196534982,20.990870860642907,10.744701009420147,14.610280813975512,21.346964545069614,3.0495663635813735,10.744766519485255,0.49853115819738747,9.306643456848402E-18,1.3295204938354859E-18,-27.451062224993063,4000004.303560187,571429.1862228839,10.641264196481544,34.515607816754,16.85880943031897,24.29955287552214,33.945615705242524,4.849373672177504,16.85880953257466,-0.7979889561160576,3.270568171527391E-16,4.67224024503913E-17,-24.959478435729714,4000004.1723243436,571429.1674749062,10.641264173515296,21.006637436080574,10.751813518259224,14.62161696502514,21.36163000782191,3.051661429688844,10.751878525584342,0.49698960043787643,5.673981095822958E-17,8.105687279747084E-18,-26.185638903366094,4000004.303240465,571429.1861772093,10.641264196425592,49.03828117273473,23.43684632202822,34.66547666790088,47.492146509393095,6.784592358484728,23.436846322149172,-2.1645885286782907,4.31580262221578E-16,6.165432317451114E-17,-24.76535472124041,4000004.130425468,571429.1614893526,10.641264166183,22.553424957048325,11.44984666440246,15.733106479497994,22.800759508303035,3.257251358329005,11.44987726848799,0.34626837175659375,1.2322487761379079E-16,1.7603553944827255E-17,-25.642764500146424,4000004.275331851,571429.1821902645,10.64126419154159,22.070148991262336,11.416503067059743,14.905603885803657,22.615046950446015,3.230720992920859,11.416538868610342,0.7628571428571487,4.733846114227897E-16,6.762637306039853E-17,-24.700636438689063,4000004.1803229162,571429.1686175595,10.641264174915044,0,11.996400532441287,15.998258482713187,-0.38219890103080767,0.16204227065942162,4.604264313005135,7.325503235843832,6.0,18.0,18.0,18.0,6.0,0.0,0.0,0.0,0.0,0.0,16.950484,3.5070643927097747,2.7923952454984886,2.646932163395406,2.3335527931030495,1.5953404359704517,1.018637611975962,0.08392307051869147,0.08392307051869145,1.74238397408973,1.3950808135147441,1.372401575427064,1.2496297225843565,0.134676328080443,0.08392307051869069,0.083923070518691,0.08392307051869105,3.397413184262974,2.722087808544793,2.654328763538867,2.405454587841292,1.5015846827046762,0.6073755491328868,0.27091390189293757,0.2709139018929375,1.755345178965947,1.3437503513678892,1.2931563352747397,1.1345406859483513,0.24819820806310175,0.2709139018929365,0.270913901892937,0.2709139018929371,3.60511192657659,3.028314638023161,2.9349542852883035,2.7042369872335206,1.9279821020661403,1.2323294533668103,0.9439184268026231,0.9439184268026227,1.5133772287404876,0.9860628823586528,0.9440366554290142,0.7603185604308984,0.20786520607241404,0.9439184268026215,0.9439184268026217,0.9439184268026218,3.3790563692564044,2.7309409087256356,2.681056779242223,2.457539916041694,1.4906280028579852,0.46016391745763585,0.3992772455089826,0.3992772455089826,1.7652921073896473,1.3115880597162066,1.2381751595347719,1.0582626705327116,0.26847987245614274,0.3992772455089814,0.3992772455089817,0.3992772455089818,3.6253679983494354,3.106744480993096,3.038298067319859,2.8389820851496492,2.004297133521873,1.208950730938921,1.2076448229620893,1.2076448229620886,1.4826023330542328,0.898664315774721,0.8426493612555053,0.6313372621875597,0.2819642142379474,1.2076448229620864,1.2076448229620873,1.2076448229620873,3.65809827862577,3.0911358148795802,2.8638042690616214,2.5638213695331373,1.9063443539489822,1.5142339798214084,0.5405405405405411,0.5405405405405407,1.6071314520802225,1.091856281187475,1.0740096695802728,0.9421997479115134,0.0637050308349384,0.5405405405405398,0.54054054054054,0.5405405405405401,0,0,0,0,0,2,1,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2071067811865475,0.25,0.0,0.0,0.5749149571305298,0.08333333333333333,0.0,0.0,1.7071067811865475,1.0,0.0,0.7415816237971965,0.3333333333333333,0.0,5.914213562373095,3.1213203435596424,2.871320343559643,1.914213562373095,0.25,0.0,0.0,0.0,0.844887651767585,0.5202200572599404,0.35891504294495535,0.31903559372884915,0.25,0.0,0.0,0.0,5.316496580927726,2.2247448713915894,1.8080782047249226,0.9831632475943929,0.08333333333333333,0.0,0.0,0.0,0.7594995115611037,0.37079081189859825,0.22600977559061533,0.16386054126573216,0.08333333333333333,0.0,0.0,0.0,9.680565031548955,18.988346686088853,18.05098039215687,18.360000000000007,10.751805988023948,147.7358778443114,0.5095034227131029,0.9993866676888871,0.9500515995872036,0.9663157894736846,0.565884525685471,7.775572518121653,1.0153,28.09699999999999,13.069811175518941,18.30587915301873,26.139622351037886,3.7342317644339835,13.069816600422259,2.900010715352426E-16,4.142872450503466E-17,-25.043652939179015,4000004.2294850536,571429.1756407219,10.641264183518409,34,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.729166666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8444444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-0.41666666666666674,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.729166666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.864583333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4222222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6145833333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-0.41666666666666674,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.864583333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.864583333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4222222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8541666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.864583333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.25,2.3214285714285716,0.5125,4.864583333333333,0.21527777777777768,-0.41666666666666674,2.8949166666666666,1.6666666666666667,1.3645833333333333,5.458333333333333,1.6666666666666667,1.3645833333333333,5.458333333333333,3.16666,0.45238,0.0,0.04762,0.52807,0.91905,0.42174,0.52807,0.91905,0.10633,0.0,-0.10633,0.0,0.49223,0.22206,0.0,0.63158,0.0,0.1579,4.0,0.57143,4.0,0.57143,0.0,0.0,-4.0,-0.57143,0.0,0.0,5.51686,0.78812,7.84027,2.32342,0.33192,2.08586,0.29798,3.12132,1.03546,0.14792,0.29268,0.04181,0.29268,0.04181,0.0,6.02,2,2,2,2,0,0,1.0,1.2674438038072338,1.667951197198645,2.299530144567066,2.2995301445670657,2.0759550122805615,1.392180798924017,24.08143227233744,31.691072746774253,43.69107274677426,43.691072746774246,39.44314523333067,26.45143517955632,0.29836756860753955,0.3926505788811164,0.5413298925863617,0.5413298925863615,0.48869831363899313,0.3277317690846011,2.9804837096363515,2.5799763162449403,1.948397368876519,1.9483973688765195,2.1719725011630238,2.8557467145195683,0.3039488248275076,0.39999549071547486,0.5514559959164,0.5514559959163999,0.4978398919794771,0.3338623112987604,11.972549709172307,16.778638429869243,17.415159502711347,17.415159502711347,14.732257915273294,5.161157554136232,25.700029212929373,20.0415119993778,21.318697214324384,21.318697214324384,19.977246420605358,10.404407433613734,7.0,2.34375,2.6666666666666665,7,0,3,1.7899999999999998,0.9305,2.039648902655506,0.0,0.0,2.8284271247461903,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.5579999999999999,0.563,0.41800000000000004,0.047000000000000014,2.577,8.0,6.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,28.0,1.9459101490553132,2.1972245773362196,1.9459101490553132,0.6931471805599453,0.0,0.0,0.0,0.0,0.0,0.0,3.367295829986474,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.3333333333333333,6.0,1.0,0,2.0,4.0,1.0,3.0,1.1111111111111116,0.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5,0.13888888888888895,0.020833333333333332,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6597222222222223,13.069811175518941,18.30587915301873,26.139622351037886,3.7342317644339835,13.069816600422259,2.900010715352426E-16,4.142872450503466E-17,-25.043652939179015,4000004.2294850536,571429.1756407219,10.641264183518409,18.46,112.61683523125558,3.807354922057604,3.367295829986474,4.04305126783455,4.844187086458591,5.54907608489522,6.354370040797351,7.063903961472068,7.870547844507712,8.580918882296782,9.387900611668426,70.06125160991718,2.5649493574615367,0.0,3.8066624897703196,0.0,5.262690188904886,0.0,6.767343125265392,0.0,8.282230063296685,8.532278828834277,104.083729624,5.478091032842105,12.442703820042826,1.777529117148975,5.255203820042826,5.255203820042826,0.0,44.0,6.0,0.8440000000000001,28.0,1.2227777777777775,2.0615206909493153,2.891852819114553,3.302810311291271,3.5888290190870644,5.264453405053932,0.0,0.0,0.0,0.0,93.26591278922217,118.65394322396291,129.2414683359256,48.825908547089355,11.398047872214047,5.34902158455272,0.0,0.0,0.0,0.0,251.12009881190613,297.80152269669884,450.1997213276197,331.6347750423979,170.01962263226687,163.638924211237,0.0,0.0,0.0,0.0,9.68341812222222,16.696613214039143,24.13411807346439,24.62474697222279,24.39039892587483,35.36904068153227,0.0,0.0,0.0,0.0,1.7154725513533335,2.017431019664624,3.2162971366282838,3.0257336169008804,2.0631589440805795,2.340643920863238,0.0,0.0,0.0,0.0,182.84831898083067,346.2629281370991,470.39258185337314,545.3668181852713,641.4160904592032,973.4903628536358,0.0,0.0,0.0,0.0,3.679027777777778,6.138133352370714,8.988812784745836,6.950429048858,4.287733638152389,5.264453405053932,0.0,0.0,0.0,0.0,0.4228141666666667,0.5413919173007112,0.8264327867874365,0.7048478657910838,0.46366536713790424,0.5390800286775227,0.0,0.0,0.0,0.0,286.59277157143305,208.76803127139135,11.617573539950062,54.490000097426794,-39.693150605099305,-13.849670373825692,232.10277147400626,248.46118187649066,25.467243913775754,0.840244056213052,0.6120743954610343,0.03406086294862463,0.15975594378694802,-0.11637395348609221,-0.04060501298867022,97.75185686784481,71.20717874189737,3.9625541830729745,18.585600261466773,-13.538649824656751,-4.723883957804561,0.22239435075124006,0.4852141827968818,0.0,9.589934233819916,302.3799946040382,38.70277706482164,0.8865296629452858,0.11347033705471417,514.8827338975185,22.691027607790673,8.01498614843947,631.12716687897,25.122244463402748,8.577728414092748,897.1141741790456,29.951864285533972,9.644563410844171,1.593844379341418,1.3883268369434754,258.2191329927283,257.07475534413607,112.35993979356167,1.0044515364686832,2.2981423224963717,2.287957396706141,3.434564684991557,2.999255684942301,5.948881151981046,0.9834524885114918,3.3468070246586343,3.4281601840950535,7.271703296624361,10.002164382424182,6.745583784594795,9.06050648361595,9.99901097629276,1.1933298376253736,3.1328071557876163,0.15080853213831977,1.5400988270121818,1.2885981541928362E-13,2.079543457853065E-48,6.472832981966407E-105,3.8859455095478994E-183,4.499610448904143E-283,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.28087480050803837,3.936233565633427,0.8171320648007669,4.391765081309514,0.5924586802900584,1.352146832898283,0.42283117173980656,1.0125203429929457,0.04218461709885529,0.001066304599181742,0.01084704196526665,9.075702162575753E-16,1.4646394608123088E-50,4.558869194502434E-107,2.7369031959188777E-185,3.1691124303563597E-285,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9066967201343231,2.991297055537169,1.3002715027063163,3.8352955833288207,1.6893037793792625,1.3976800819526427,1.142176282171452,1.0486164162174823,0.2816224921190255,0.011079149460122862,0.1130345403913928,9.457581393718719E-15,1.5262672424624192E-49,4.750693191333975E-106,2.8520641464930426E-184,3.302459492284032E-284,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.159112969817741,3.93436414683685,8.370497073008075,10.803119895917858,6.739732114195934,8.999928037658616,10.129829342207746,1.1819739063413208,2.80512858715788,0.13437054303741694,1.3722003276332244,1.14811775605423E-13,1.852835781798134E-48,5.767177653008622E-105,3.462307488222188E-183,4.0090719010458075E-283,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.33630392110086,2.6322177308951695,1.4895086458763622,3.856762967000093,2.3812086931932654,1.772375316264644,1.7101773745425026,1.0736360410930068,0.56221099742509,0.024055186374000337,0.24552612615454972,2.054313057186477E-14,3.315256400572933E-49,1.0319140430687724E-105,6.195064437896729E-184,7.173383313765944E-284,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.041754177449252,3.7488360029364536,10.44287880364142,12.895889841596269,8.522645337229363,12.99884588059149,14.581110171040079,1.23570150299907,4.503278951756586,0.21992654200464157,2.246089398287134,1.8792993034089266E-13,3.0328186945136806E-48,9.440018577173454E-105,5.667286318404547E-183,6.562258959259416E-283,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.955767849005443,3.929863841062263,6.066936525130909,9.804251691729455,3.5373090044017106,5.250797295796341,5.370839124077502,1.2779026232026143,0.9918228638608382,0.04407961532579095,0.4499923526697389,3.765078609767234E-14,6.076094836678056E-49,1.8912587237301406E-105,1.1354113979687064E-183,1.3147145212283834E-283,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.9214698502102103,1.1377094647292898,0.6629497141112224,0.6186764131681309,0.24093146496634388,0.4728863955383301,0.45146255293062515,0.4253938639394467,4.722129029050723,6.014815665870746,12.94044628086607,0.4280146197521965,1.349742812408402,1.9356403572823142,0.6899566520950398,0.5358580297695532,0.6122624972723417,0.2182402227934954,0.2075885232071428,0.46047760192628456,0.10028852559084056,3.161455039146907,2.742455180984332,6.619552873906969,0.4183937459085125,0.7683546507242679,2.419573562756451,0.8379410969892542,0.5813108211327189,0.6302900652318242,0.21828059159321597,0.32436326529357,0.2449185587174379,0.32705698553854434,3.838825480878424,3.9210886471309845,8.938498638332513,0.4454350978477363,0.8963388095495523,2.836063804398632,1.083713267971166,0.6926997225822807,0.614867874783118,0.23495256803398734,0.44564187917465203,0.4096327410601429,0.46442417114436146,4.612476794952078,5.788708464254523,12.530183984308934,0.42230181217467694,1.3196987913791565,2.6428836962124844,0.9755697364255119,0.5553929640393835,0.6332009961642026,0.2337339814905793,0.3869992346915597,0.331952922912765,0.29855891615368857,4.17384639667738,4.587980928108594,10.193806640546104,0.4498014942463039,1.0175110737580133,2.9639215335609164,1.1621252219778915,0.6836010623433968,0.6162450237086168,0.24162376664194118,0.48672920585040225,0.4710478022384422,0.45230915915919234,4.809647817882205,6.265017915479388,13.429294024918443,0.4243675355629252,1.410086167248037,2.8807606909155865,1.1106255278834403,0.6727238952565693,0.6176442280456091,0.23812163536544703,0.45979936496778023,0.4302258122083674,0.43802808366130136,4.664110114055596,5.884547247637858,12.701001381711595,0.42646634206841366,1.328053260837449 +UMLCN0152,L,methyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC,Esters,,C17H34O2,NREL (2014),IQT,PubChem,,85.9,0,-3.646699999999999,13.298420889999994,60.28710000000001,54.19496199999996,0,0,53,19,34,0,17,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2998.972234999997,3152.0947740000015,3587.278242000002,3421.8404449999985,3105.514878999998,2866.473557999997,2669.7168289999977,2472.960099999998,2276.203370999997,8689.416194318957,11161.986989065046,14811.779453711571,15623.060579704026,14789.046857290512,13722.710087044568,12715.911742089442,11709.113397134312,10702.315052179178,383.3199799999998,385.2088800000002,729.2502960000014,976.0471160000029,945.7771000000029,894.7894800000026,831.9045800000022,769.0196800000017,706.1347800000011,63.81454676486605,83.71202653999994,121.3510603449798,135.57481040524186,129.04533412384572,121.08717873554366,112.0656498761477,103.04412101675175,94.0225921573558,8813.606793959467,7568.111948833603,15682.189469617024,22582.21966204418,21811.719104104843,20886.7170311233,19407.76187608472,17928.80672104614,16449.851566007557,137.52777777777777,113.25,196.41666666666666,230.8333333333333,229.08333333333334,201.83333333333334,189.58333333333334,177.33333333333334,165.08333333333334,56.584381792452774,60.617207192307724,35.87278242000002,24.976937554744513,23.526627871212106,22.74979014285712,22.818092555555534,22.897778703703686,22.99195324242421,163.9512489494143,214.65359594355857,148.1177945371157,114.03693853798559,112.03823376735237,108.91039751622674,108.6830063426448,108.41771664013251,108.10419244625432,7.232452452830185,7.40786307692308,7.292502960000014,7.124431503649657,7.164978030303052,7.10150380952383,7.110295555555574,7.120552592592609,7.132674545454557,1.204048052167284,1.609846664230768,1.213510603449798,0.9895971562426413,0.9776161676048918,0.9610093550439973,0.9578260673175018,0.9541122316365902,0.9497231531046041,166.29446781055597,145.5406144006462,156.82189469617023,164.8337201609064,165.2402962432185,165.76759548510555,165.87830663320275,166.00746963931613,166.16011682835915,2.5948637316561842,2.1778846153846154,1.9641666666666666,1.684914841849148,1.735479797979798,1.6018518518518519,1.6203703703703705,1.6419753086419755,1.6675084175084176,0.3154971989976241,-0.1539367940809371,0.010804090314659686,0.014146217036429647,-0.03666983105098262,0.004831532426318298,2.4129313027639E-4,6.255033325160055E-6,7.903631619012377E-8,1618.8403699245246,-20.171730869347783,-482.40444974439265,47.30166279886009,-220.04470856675107,12.78094342470581,11.13770967604114,9.494475927376243,7.851242178711345,2584.3266715621958,-154.7545312676869,-977.2692253950054,-9.861323786137223,-212.35627017892529,8.558683130631515,8.3397087516013,8.120734372570858,7.901759993540189,2.2345852075471635,0.05442779636880969,0.6922094951940161,0.027946614453545814,-0.3204879886080437,-0.02450641794232397,-0.0375972317550696,-0.050688045567815004,-0.0637788593805605,11.482504831631228,-1.0444577705138336,-4.080019564168147,-0.3596129739463364,-0.4846737830048256,-0.03202822351080363,-0.032536744731730446,-0.033045265952656375,-0.0335537871735823,63.18692769039717,-6.270901327310006,-21.26468087633235,-2.50439064512461,-1.9437704648117151,-0.31198335253937803,-0.32016482127172385,-0.3283462900040697,-0.3365277587364155,41.96750524109017,1.5638523001463547,10.591185079704102,3.179383726909537,-6.914352675922668,-0.6711759819627368,-0.9502788655512013,-1.2293817491396677,-1.5084846327281323,0.005952777339577812,-0.0029603229630949445,1.0804090314659686E-4,1.0325705866007042E-4,-2.77801750386232E-4,3.834549544697062E-5,2.0623344468067522E-6,5.791697523296347E-8,7.983466281830684E-10,30.544157923104237,-0.3879179013336112,-4.824044497443927,0.3452676116705116,-1.6670053679299324,0.1014360589262366,0.09519409979522342,0.08791181414237262,0.07930547655263985,48.76088059551313,-2.976048678224748,-9.772692253950053,-0.07198046559224251,-1.6087596225676157,0.06792605659231361,0.0712795619794983,0.07519198493121165,0.07981575751050696,0.04216198504805969,0.0010466883917078786,0.0069220949519401605,2.039898865222322E-4,-0.0024279393076366944,-1.944953804946347E-4,-3.21343861154441E-4,-4.6933375525754634E-4,-6.442309028339444E-4,0.21665103455907977,-0.020085726356035262,-0.04080019564168147,-0.002624912218586397,-0.003671771083369891,-2.541922500857431E-4,-2.7809183531393543E-4,-3.059746847468183E-4,-3.3892714316749803E-4,1.1922061828376824,-0.12059425629442319,-0.21264680876332348,-0.01828022368704095,-0.014725533824331175,-0.0024760583534871273,-0.0027364514638608876,-0.003040243425963608,-0.003399270290266823,0.7918397215300033,0.030074082695122205,0.10591185079704102,0.02320718048839078,-0.05238145966608082,-0.005326793507640768,-0.008122041585907704,-0.011383164343885812,-0.015237218512405377,-0.49730114100066425,0.018149663087223655,0.017346030729816227,-0.04666758632802054,0.006441614268355986,3.464491159605541E-4,9.72940392846461E-6,1.3411330252101946E-7,-0.012700232309897207,-0.157936732437954,0.011303883791451459,-0.05457689722946904,0.003320964329139624,0.0031166058018321278,0.0028781875199733135,0.0025964204595947146,-0.061033530196306536,-0.20042074988385905,-0.0014761928971165053,-0.03299283365927666,0.0013930440911389943,0.001461818595336387,0.0015420555168999686,0.0016368809696568818,0.024825405884347652,0.1641785827695207,0.004838241991920158,-0.05758598189504432,-0.004613050838876132,-0.007621649236584733,-0.01113168070057805,-0.015279899703479264,-0.09271004127403773,-0.18832218237368,-0.012115853607293045,-0.016947858526697297,-0.0011732796503975428,-0.00128359338731014,-0.0014122927470414657,-0.0015643919903603049,-0.10115218158606208,-0.1783641217638905,-0.01533310592596531,-0.012351499292917222,-0.0020768709214320858,-0.002295283738042359,-0.0025500986907543437,-0.0028512436348685083,0.03798001271900412,0.13375415240902128,0.029307926664185975,-0.06615159386658283,-0.006727110755884115,-0.01025717877629855,-0.014375591466782078,-0.019242806464626224,1.5727838867970485,1.0156846036338791,0.8020455732772791,0.8508491325654817,0.6940341051390099,0.7350670435325249,0.7772502321558399,0.8267287130168803,1.2860924447399777,1.2606012513853642,0.9341642032082992,1.0201840633284285,0.9210992210918517,0.9254768851489432,0.9305841598822167,0.9366200300215397,1.5009089535747955,1.3684247950375346,0.9909756305220414,1.010650232490998,0.9668850788607912,0.9638274326819006,0.9602601788065279,0.9560443333174514,0.7338578965176416,0.7483460618785577,0.7100313350725904,0.9583170712320903,0.6827442876474354,0.7258291631185774,0.7760948511682428,0.8354997552269385,1.5884468685080344,1.3798895249369512,1.0033392270527586,0.9948329157273436,0.968875554791605,0.9654946689316417,0.9615503020950181,0.9568887776517355,1.6027997720290221,1.3729645656654088,1.002441609228956,0.9890041997293708,0.9646828032552356,0.9619827915763925,0.9588327779510751,0.9551100345757005,0.563928366261208,0.5097329969777952,0.7291877276293146,1.1483150812770906,0.6670567820004586,0.7130737401237184,0.7667601912675215,0.8302078153465613,236.4500618406534,118.47503092032665,190.0164006230147,236.89743026170595,12.468285803247682,118.47503092032665,0.4999999999998721,0.09628869937086154,0.005067826282676924,-4.446768198951647,163.1502904709971,8.586857393210375,9.679876426517009,236.46220325499513,118.48036720659611,190.0224374965117,236.9082574491715,12.46885565521955,118.48036720659611,0.49853115819711036,0.09621235726076782,0.005063808276882517,-4.448275203841079,163.16990055751805,8.587889503027265,9.680104786057477,247.4459146004852,123.32396282218443,195.54951347026258,246.73192448185478,12.985890762202882,123.32396282218443,-0.7979889561163418,0.02765152340495708,0.0014553433371030041,-6.817341467371614,199.35275317870597,10.492250167300314,10.060644180570057,236.4749465184459,118.48596805944186,190.02877379197585,236.9196214241008,12.469453759163201,118.48596805944186,0.49698960043782847,0.09613223287128081,0.005059591203751622,-4.449858158149557,163.190508111639,8.588974111138894,9.68034473154009,259.5339215757,128.68466652351066,201.78414104643565,257.59718447109276,13.557746551110146,128.68466652351066,-2.1645885286786495,0.047651467538626424,0.00250797197571718,-5.783299517021446,244.3855009692853,12.86239478785712,10.447619111015966,237.72471384411864,119.0354911079376,190.65105893927705,238.0345329135851,12.52813331124132,119.0354911079376,0.34626837175656533,0.08828370238617822,0.004646510651904117,-4.611679542756438,165.3446927262743,8.702352248751279,9.705261449234484,249.78519335341903,124.94638710738012,202.44434093062327,250.59078576582257,13.188988724516975,124.94638710738012,1.1774042950513035,0.13969632756407657,0.0073524382928461356,-3.7397401720546384,153.84997575891578,8.097367145206093,9.568358093989367,0,11.996170260559415,15.998263392857096,-0.34960405652324494,0.2612504097754987,4.036078086722753,7.624514881045892,18.0,52.0,51.0,51.0,17.0,1.0,1.0,0.0,0.0,1.0,40.04303799999999,3.57220198859714,3.5165828042966365,3.409810165551851,3.256328472373367,3.0650043876821864,2.8527497121310676,2.6659350054566846,2.5049944532594663,1.9520881699613815,1.8919020657319554,1.7956725795637416,1.6702776227310798,1.530176589828331,1.4289254189346317,1.3284996609873303,1.1758360972901825,3.5777961500162188,3.509436795759485,3.396890013598459,3.244053190098093,3.059066070447481,2.8588774854083803,2.678763009337086,2.508656119048581,1.8951653423184887,1.8369507883416893,1.7441430470292518,1.6244113775308013,1.493130118233681,1.3713680068046186,1.2419535622917868,1.0895084467458431,3.703053863440371,3.6475714911633914,3.550768711900561,3.4158019569170714,3.2518238070705827,3.0766456128798167,2.9170791194869765,2.757580335149785,1.721024525181483,1.653115493949539,1.5440042179915654,1.4004455226645058,1.2346961830679437,1.074247441378686,0.9382458019152911,0.7706071874344377,3.596604756253451,3.5248931539477812,3.4086451574311423,3.25336119042415,3.0685572592332444,2.873841858911843,2.7064076007359104,2.5366233249594945,1.8601395070245856,1.8062611666574335,1.718200086707344,1.6009791274659806,1.4649202111880402,1.3255208651468549,1.1873493568891433,1.0372025743677888,3.7578262908243136,3.697595524060669,3.5995487691636017,3.4688500758965004,3.3157708833155057,3.158946838881351,3.011658832593198,2.85106528770554,1.6674115856425642,1.6000298118285214,1.4909679907318036,1.3459085072084505,1.1751392563683938,0.9995083057653424,0.8445000280644674,0.6761442360816736,5.137109917474218,3.6012591709792345,3.528490148169445,3.438690228924497,3.3819238411543195,3.2204261235151814,3.0137335520911273,2.783156965258931,1.8222991412809513,1.746043628206472,1.6248546646110678,1.467321052447603,1.2849963521591514,1.0941672823138953,0.9691629576157759,0.8705679487714583,0,0,1,0,0,1,14,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.49279927982674443,0.348461712529338,0.24639963991337221,0.10059223176554563,0.07112944921610614,0.050296115882772816,14.183951986987843,9.308060412490448,6.544735827700502,4.497400240710626,2.7146903780250455,1.7945759751233814,1.1805684937158858,0.7722879875616907,0.7465237887888339,0.5171144673605804,0.36359643487225013,0.2645529553359192,0.18097935853500305,0.12818399822309867,0.09081296105506814,0.06435733229680755,13.215991517539395,8.377156752707547,5.568773300279364,3.712125131752582,2.3891665928797416,1.5643958992096245,1.0178066011432336,0.6571979496048121,0.695578500923126,0.4653975973726415,0.3093762944599647,0.21836030186779895,0.15927777285864944,0.11174256422925889,0.07829281547255643,0.054766495800401015,27.64067087319352,51.7545520757466,49.03137254901955,49.720000000000034,31.535905389221604,407.78937844311383,0.5215220919470476,0.9765009825612566,0.9251202367739538,0.9381132075471704,0.5950170828155019,7.694139215907808,5.640700000000007,82.32800000000006,121.36294983353264,193.2172340652817,242.7258996670653,12.775047350898173,121.36294983353264,0.05550635985515795,0.0029213873607977867,-5.493389578339152,176.94778446367997,9.313041287562104,9.834123903441457,465,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,14.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.509257016985039,-0.06659907312953894,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.9061518007404956,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7319157275850614,0.0,17.992092995226106,0.0,0.0,0.0,0.0,0.0,0.0,-0.06659907312953894,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.890929194231935,4.618327822753104,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.618327822753104,-0.06659907312953894,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2087620296280277,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4628848520102034,0.0,0.5915277777777778,0.0,0.0,0.0,0.0,0.0,0.0,-0.06659907312953894,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.890929194231935,4.618327822753104,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.890929194231935,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5125,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.269030875574858,0.0,1.4319128739595772,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.890929194231935,4.618327822753104,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,37.16666666666667,1.9561403508771933,0.5559027777777779,10.890929194231935,0.2087620296280277,-0.06659907312953894,10.293766887326994,1.7332657397962057,3.890929194231935,10.556575785119792,1.7332657397962057,3.890929194231935,10.556575785119792,9.16666,0.48246,0.0,0.01754,0.47233,0.7807,0.42881,0.47233,0.7807,0.04351,0.0,-0.04351,0.0,0.61798,0.09631,0.0,0.14545,0.05455,0.0,11.25,0.59211,9.75,0.51316,1.5,0.07895,-8.25,-0.43421,0.0,0.0,22.60378,1.18967,26.38807,3.78429,0.19917,8.18293,0.43068,9.30805,1.12513,0.05922,0.10595,0.00558,0.10595,0.00558,0.0,18.02,2,2,2,2,0,0,0.9411764705882353,1.1154562110958914,1.5566100217642231,2.486883558695169,3.008173367255118,3.3302853138657444,3.561340146183258,59.11917918808225,82.50033115350382,131.80482861084397,159.43318846452127,176.50512163488446,188.75102774771267,0.19474017140151678,0.27175831684675994,0.434168661807091,0.5251772246345756,0.5814126331333115,0.6217509782884788,4.612464243467308,4.171310432798976,3.2410368958680307,2.7197470873080816,2.397635140697455,2.1665803083799418,0.19474017140151678,0.27175831684675994,0.434168661807091,0.5251772246345756,0.5814126331333115,0.6217509782884788,9.581974988963779,15.0265722120781,18.048898694933463,20.134829346194493,21.056324601734396,21.399538299758994,70.4946406984941,57.082099734041705,51.56295587411785,45.27857792406803,41.8349467640123,40.358740033174655,19.0,16.055555555555557,15.944636678200691,19,3,16,3.11,2.5783000000000005,0.058823529411764705,3.903406840244315,0.36514837167011066,0.0,23.267138275621512,2.3156360189017344,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,8.847,18.0,17.0,15.0,14.0,13.0,12.0,11.0,10.0,9.0,156.0,2.995732273553991,3.044522437723423,2.995732273553991,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,5.1298987149230735,1.0769230769230769,0.47058823529411764,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,0.8333333333333334,17.0,0.9444444444444444,2,9.0,17.0,0.8888888888888888,1.5,0.666666666666667,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.08333333333333333,0.037037037037037056,0.014705882352941176,0.010666666666666668,0.007936507936507938,0.006279434850863422,0.005208333333333333,0.0044893378226711555,0.004000000000000001,0.0036730945821854912,0.1973530554629711,121.36294983353264,193.2172340652817,242.7258996670653,12.775047350898173,121.36294983353264,0.05550635985515795,0.0029213873607977867,-5.493389578339152,176.94778446367997,9.313041287562104,9.834123903441457,26.3,317.5321920408567,5.247927513443585,4.290459441148391,4.962844630259907,5.652489180268651,6.336825731146441,7.030857476116121,7.719129840906732,8.415160465851086,9.105313134108476,9.802506322682014,100.31558622248781,3.6109179126442243,0.0,4.6913478822291435,0.0,5.905361848054571,0.0,7.1770187659099,0.0,8.479906606630221,8.802973456578423,270.2558803280004,5.099167553358498,36.65490221782944,1.9292053798857598,5.135499996297808,5.135499996297808,0.0,1110.0,17.0,7.890999999999998,72.0,1.2427115384615384,2.142826986727926,2.8725750638541343,3.62317551990513,4.935155784131738,5.958855472009426,7.276064898481775,8.387599290082079,9.688517723897192,10.83875724700587,86.7406538311346,85.1439114519691,85.22947168927573,108.37267785894814,132.75049898404052,160.84465665906487,189.34550802067545,218.20164597436653,247.48085008947172,277.33211948981165,292.429874898605,338.8565404629039,360.8943091452531,477.11242958448565,594.761046817693,722.8155513829967,853.6478168212453,982.1207459175664,1111.0158348032091,1236.8185114820744,9.252244711000005,15.688170802507429,20.52494737346733,26.121012556405717,35.19451105016415,42.583000286365504,51.984183654308495,60.041609290605955,69.43352618629233,77.87599156324035,2.136535269211922,2.726956915060249,3.030637819816283,3.9995819821752527,5.090538044980864,6.1831464098763815,7.3401652125528685,8.439820330603624,9.564475024715485,10.63024105375078,178.74432413509174,332.6733517875977,469.69664715363285,583.9309608332975,808.3319507036161,973.3348422937186,1196.186520818593,1378.6846811954197,1599.1737304754151,1790.6748858893525,2.7827612179487176,4.343056821739277,4.93355771171556,6.481152138093117,8.126519077015542,9.95727871752334,12.202360221255116,14.290633005412605,16.724059410575258,19.11695454922175,0.4580684134615382,0.5965592707015023,0.665734907456504,0.878564864757727,1.117657024095151,1.3603713348086517,1.6221677309352964,1.8714928591777524,2.1315896887000196,2.3811946175754812,714.5420936397613,953.8620332577118,22.81418060225511,213.933043112735,-285.58514508929954,-23.6500701421949,500.60905052702634,1239.4471783470112,46.46425074445001,0.7695866753513688,1.0273425700918717,0.024571665625911836,0.23041332464863096,-0.30758512940710864,-0.02547194771947813,663.4345681075926,885.6371817719684,21.182399454574966,198.63151145997435,-265.15870664126896,-21.95850210948054,0.195656393769786,0.2389278129764781,1.2552384656266158,4.191505994269201,873.3892321610537,55.08590459144287,0.9406705657362938,0.0593294342637062,1268.8818512369144,35.62136790238289,10.826142234450181,1598.2410780176942,39.97800742930661,11.691783448781864,2228.233651822203,47.20416985629768,13.061315184970749,5.18874241589985,5.18874241589985,11729.11919676144,11641.576670833205,140.8934861234975,1.0075198169804236,83.24812962950256,82.62679128138687,7.893331489593074,11.553884573793844,22.11868305845748,0.9143936324780653,9.495844874395443,14.726718765460904,8.051949902449879,67.26433774709703,28.35470773061813,1.5520036624229898,11.748545300362698,9.706256381516615,51.63991763521321,1.6198612661542517,3.7008918601344014,47.366551250199485,6.503708481732608,54.52418106527311,3.3937922102641873,3.985731459109826,25.639403749848725,4.1325912383598515,46.71911844049153,3.7663152972337697,6.365026852530507,17.294167347405406,3.8515975875776998,33.529711802204645,3.6567569017414336,6.537801167556361,10.257799149944988,3.0219034463817076,18.00335507125627,3.9405020891663356,0.813427979573243,14.877220738206978,0.7056213232527851,15.02235137264853,0.42851378209787183,1.0725221328911825,1.7559558682078766,0.34795017228858643,14.232250651284803,0.053745499456912274,1.9407614349878448,4.102729753114088,0.2139034863137337,11.893665125249184,0.07855243532410844,2.1907313452806005,1.129140827740225,0.16729100538745204,8.6925843075145,0.10713891244166485,2.367946597845554,0.48627216318428906,0.17370700046378595,5.564568076789425,0.13247168088473693,2.418084432298068,0.2551847248485583,0.20593087997400322,2.914268059358849,0.15702001040560035,2.5784272379521482,14.596170047265307,1.768905004803215,18.29900294478589,2.5617352620325122,0.9526574850391731,3.6740223739652893,1.324089415887341,18.424151848857782,0.22765978145937155,1.8025368445239827,11.044871423811928,0.8430304745849233,18.146522753483108,0.3894907419537059,1.9373541061705986,3.9117420478691782,0.5539887911910126,14.506739642963637,0.4835351946654179,2.360655081390914,1.9969247926604143,0.4989431063258086,9.746745944887566,0.5425614588450115,2.4843776131773962,1.1848327893124262,0.45730291358829933,5.139402104993368,0.621321716202093,8.96841805811132,14.877232000241028,8.571995368044705,62.501432643078715,25.63197393618375,1.777883488203805,11.412258870118428,8.957293805297509,49.61476731627945,1.4724185419696474,3.739829762268341,44.415621429144714,5.888393170603062,51.775704222113205,3.0614373032279074,4.124905026469204,23.914500081331063,3.741250338738658,44.04961809835828,3.411225570094564,6.479389866686358,16.038668420208232,3.4777967761515027,31.449366983242232,3.331585432213722,6.864419885589385,9.336020171170224,2.7387612067870615,16.863448644499833,3.5999242001125857,3.7925455969595783,14.489408774940575,2.3434030729535427,22.57789307391305,5.0221909562996565,0.893619317492083,4.953754173488997,2.232455933631955,22.103211739385493,0.3903266352054894,1.871522689027542,16.389202331427036,1.4691123329698728,23.080583606525394,0.7115456604622996,1.959465182463827,6.347484478684084,0.9449967253149737,19.038954101511404,0.8519343901314197,2.5833964958067988,3.4897890426812146,0.8486076806200044,13.052972527253964,0.9159104237363096,2.6993222177208844,2.1319525538100352,0.7259508139511699,6.9118615385092355,1.031498189446896,11.467630932085553,14.822403583122385,10.75298082046505,91.53352813851471,40.85388723416978,1.9003043579525174,14.264571790747576,13.465574158423813,65.60421350581443,2.224324901036274,4.5344956909337135,59.935414955747895,9.049649980008759,68.06055806013237,4.771274892232907,4.906668491757332,35.09634577004382,5.753659756754426,58.50290041440226,5.229881466897623,8.091098247251582,24.504454811394645,5.411243093557679,42.39370461831177,4.984955566357929,8.222616712764202,14.449878330246186,4.209655891974461,22.842469708910038,5.325219875858641,6.183418143242858,14.701005694264195,8.63878189443555,40.819788111847245,13.817020781600405,2.985751599082867,8.478303706716408,5.603724603580346,39.99314946099232,0.77022276479186,3.6263829616874914,29.77093667119615,3.0213301875019183,38.16360206881353,1.5237040891363183,4.293601203532862,16.369545646562113,1.9329740167369003,30.751093054534216,1.7437225342339182,6.149948175640111,10.83346232559419,1.785271696700323,21.313032944735966,1.7681943860672054,6.978741066445659,5.1815254674111095,1.474004462009542,11.569948209650011,1.9431122255566193,41.998941663363944,0.8106058764003139,0.4994031000000002,0.9697520037532951,0.018716820990256303,0.5353091504360123,0.6470213975402258,0.603763298854245,43.30895063976426,55.42380966587243,115.73473354797179,0.9546280056299428,1.786093846830483,43.940913613805286,0.4241928396683221,0.09864825541361491,0.9882411843420539,0.009540193860046108,0.5858867684829442,0.17577007875146125,0.023558251863154536,44.46375470888722,23.015961276334977,69.31846234124161,0.9823617765130808,0.7852150990975599,41.63389643540793,0.544658748524812,0.259423799159338,0.9810527605943604,0.01283422918753535,0.5260288983167939,0.2920323258237414,0.16292355295454866,42.43797898309207,33.618386957588534,81.93912899865684,0.9715791408915406,0.9809847770950839,42.540245129719054,0.8053037093770659,0.4827396970517454,0.9706115969970746,0.018374062421189063,0.5491773201204978,0.6383363579799967,0.5641443841593059,43.828288536147866,55.182434315899314,115.54833114920213,0.9559173954956119,1.7516580622598004,40.99806484248086,0.611008227517658,0.335116923405164,0.9774432370473333,0.014567171939993304,0.5101144838775186,0.3675988193140603,0.2718672928494871,41.94418999340368,38.99405948401681,89.33298032873944,0.9661648555709998,1.149580596041066,42.21947759726073,0.8469828851949615,0.5285230199406669,0.9684480691440102,0.019428448347695877,0.5409416297845024,0.7063704659833084,0.6762263006080952,43.59498350239635,58.520790699094796,121.01532133493511,0.9526721037160152,1.923538396375906,42.53720415482864,0.8113717983720328,0.48551225888410293,0.9704138009901939,0.018510064460479474,0.5490841125673215,0.6474815026747818,0.5706431945396527,43.83408821208478,55.55975286326918,116.15056251503619,0.955620701485291,1.767208809781756 +UMLCN0153,L,methyl sorbate ,CC=CC=CC(=O)OC,Esters,Olefins,C7H10O2,NREL (2014),IQT,PubChem,,6,0,1.2796,1.63737616,38.283,20.59192999999999,0,0,19,9,10,0,7,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1531.9454889999988,1418.8834519999998,1549.271911999999,1337.183874999999,1036.0135889999992,821.1864439999998,651.6920829999999,292.5026170000001,75.69072,3708.237310483327,4173.139178679299,4634.080428400335,4329.625237507521,3703.599364757323,2866.735827252417,2182.661948331119,1467.7963842769955,781.6709315159025,146.671684,138.980552,218.1403040000001,204.92842000000007,201.93142800000007,165.17907200000008,136.684828,112.99344400000001,62.861183999999994,25.25483704848999,29.09796310000001,33.78735279709401,32.273365121093995,28.191271864244992,22.460205095942992,16.999603571094,11.785523870547003,8.015104574547001,3107.6395844774906,2625.2272428240008,4475.516490158344,4284.552447697595,4221.927393543895,3603.1704159881438,2985.2133124480943,2405.143163191247,1473.488242350147,98.02777777777777,63.833333333333336,102.33333333333333,89.5,90.5,63.5,54.49999999999999,46.5,15.0,80.62870994736836,78.82685844444444,55.331139714285676,49.52532870370367,39.84667649999997,37.32665654545454,36.20511572222222,20.89304407142858,8.41008,195.17038476228035,231.8410654821833,165.50287244286912,160.35649027805633,142.4461294137432,130.30617396601895,121.25899712950662,104.84259887692825,86.85232572398917,7.7195623157894735,7.7211417777777775,7.790725142857147,7.5899414814814845,7.766593384615387,7.50813963636364,7.593601555555556,8.070960285714287,6.984576,1.3292019499205256,1.616553505555556,1.206691171324786,1.1953098192997775,1.0842796870863458,1.0209184134519542,0.9444224206163333,0.8418231336105002,0.8905671749496668,163.55997813039426,145.8459579346667,159.83987464851228,158.68712769250354,162.38182282861135,163.78047345400654,165.84518402489414,171.7959402279462,163.720915816683,5.159356725146199,3.5462962962962963,3.6547619047619047,3.314814814814815,3.480769230769231,2.8863636363636362,3.0277777777777772,3.3214285714285716,1.6666666666666667,0.29505904733072086,-0.17151336957893756,0.03064490807964858,0.023542432536433917,-0.04521013245984788,0.026154816764489146,0.021096659151109445,-0.05076248908078394,0.005432276985007631,694.3094876842102,-7.429870437672797,31.817368149584667,-11.898474709141126,-250.61364867313,2.594605786703575,2.5267592465373596,-313.25175781994454,-86.34786411357348,942.6392414474359,-122.4775647619754,7.913520171718574,-87.1495296478121,-220.53713387462213,-46.7966825078843,-50.89868117231529,-125.19153597863752,-205.19909485968805,1.8820787368421057,-0.013400908587257353,0.5190064930747929,-0.13945673130193914,-0.6092595346260378,-0.10584295844875391,-0.13935122437673136,-0.8082363324099706,0.09989175623268602,4.2822765577057895,-0.9212367921465336,0.22710713757915335,-0.7054923684621202,-0.5584174048260798,-0.4582036885305456,-0.513681466073064,0.4472553475543114,-0.984432081706795,24.237756197653123,-5.673414606280849,1.8251596181119871,-4.460175123524157,-2.5488396386356316,-2.983079653532763,-3.366771417949522,3.85113632562992,-5.40934694019765,36.58771929824562,-2.0392428439519836,8.556401969836873,-0.017928593413356397,-14.839335180055397,-0.826715912588489,-0.583102493074792,-15.223991997537702,0.9452908587257605,0.015529423543722151,-0.009528520532163198,0.001094461002844592,8.719419457938487E-4,-0.0017388512484556877,0.0011888553074767794,0.0011720366195060803,-0.003625892077198853,6.035863316675146E-4,36.542604614958435,-0.4127705798707109,1.136334576770881,-0.4406842484867084,-9.638986487428078,0.11793662666834431,0.14037551369652,-22.37512555856747,-9.594207123730387,49.612591655128206,-6.804309153443078,0.28262572041852047,-3.2277603573263742,-8.482197456716236,-2.127121932176559,-2.827704509573072,-8.94225256990268,-22.79989942885423,0.09905677562326871,-7.444949215142974E-4,0.018535946181242602,-0.0051650641222940425,-0.023433059024078377,-0.00481104356585245,-0.007741734687596187,-0.05773116660071219,0.011099084025854002,0.22538297672135735,-0.05117982178591854,0.008110969199255478,-0.026129346980078523,-0.021477592493310764,-0.020827440387752073,-0.028537859226281333,0.031946810539593674,-0.1093813424118661,1.2756713788238485,-0.31518970034893606,0.06518427207542811,-0.16519167124163545,-0.09803229379367814,-0.1355945297060347,-0.1870428565527512,0.27508116611642286,-0.60103854891085,1.9256694367497693,-0.11329126910844353,0.3055857846370312,-6.640219782724591E-4,-0.5707436607713614,-0.0375779960267495,-0.03239458294859956,-1.0874279998241216,0.10503231763619561,-0.613578508264407,0.07047660202989528,0.05614773422458013,-0.11197139697813363,0.07655501855105112,0.07547199779864863,-0.23348529757014957,0.038867272179688696,-0.01129559822623444,0.031096157177196153,-0.012059464647638107,-0.2637739315243674,0.003227373306063352,0.0038414205877119758,-0.6123024287493832,-0.2625485299918406,-0.13714883513326298,0.005696653026778673,-0.06505929744133286,-0.1709686427122876,-0.0428746384982831,-0.056995702406140804,-0.1802415933451516,-0.4595587262875334,-0.007515840454425346,0.1871244653847632,-0.05214246163167817,-0.2365618997452395,-0.04856854602404727,-0.07815451935402622,-0.5828088612562408,0.11204770149258518,-0.22707935856749525,0.035987497002859845,-0.11593309911947089,-0.09529376533110427,-0.09240911044271632,-0.12661940862358428,0.1417445585479588,-0.4853132388392184,-0.24707750411358811,0.051098012511284145,-0.12949390727409743,-0.07684760779383681,-0.10629268004041212,-0.14662307209965167,0.21563638620633155,-0.47115468676972216,-0.05883214789951778,0.15869067598269226,-3.448265655569759E-4,-0.29638714198771726,-0.019514250633886218,-0.016822504595220965,-0.5647012820951923,0.05454327499400616,1.6001804599389373,1.0415379063349042,1.0181724790592215,1.0732981306621923,0.7742623755364068,1.0580627760561239,1.458937767579866,0.10519835636327733,0.9062043255358339,0.9433587303701334,0.9361649891433305,1.2400069379978504,0.9255607078149548,0.9568719256824708,1.6968349737164432,1.046213636548178,1.2489508470190602,0.9532796319627109,1.0508684463005933,1.087895461966431,0.9816465022394822,0.9609634756481643,0.9555798516940849,1.4329601625338853,0.7200952720362721,0.9040160729015063,0.8879671011023195,1.3884242147553234,0.8951064990604807,1.0814180938120599,2.3438123720439767,0.07560576357116432,1.4390143516434637,0.9481874206638916,1.1188694525906386,1.0240803589989913,1.0127478029962034,1.0027820183853546,0.620805381151042,1.4101251116600289,1.4717963471985536,0.9449490729934407,1.1315771923056277,1.0176484438988165,1.0181121295415818,1.0188056891549842,0.5800560987792033,1.353321481708362,0.6035722848237833,0.6054431962187896,0.951037587575588,1.779180421592313,0.8727468886903076,1.0226564373052025,2.297316505120389,0.16398945097099016,37.83339340569124,19.166696702845627,30.18364794027319,38.22228229458014,4.2469202549533485,19.166696723567576,0.5000000000000107,0.10209845595416234,0.011344272883795815,-2.053635909123428,47.65620168060728,5.295133520067476,3.477611495093531,37.84367610620065,19.171103632199017,30.189284805633374,38.231422562576384,4.2479358402862655,19.171103652822673,0.4985311581973839,0.10183246198250018,0.011314717998055576,-2.055983711140678,47.68253681241515,5.298059645823906,3.4781087036701193,47.155500632738956,23.17875583831145,35.64178884622615,46.534842555759795,5.170538061751088,23.178755838616432,-0.7979889561160576,0.13075318202814035,0.014528131336460038,-1.8309994556381453,43.4407929586283,4.826754773180922,3.394259036614031,37.85446866983928,19.175729135138575,30.1952020500028,38.24101613684651,4.249001792982947,19.175729155659575,0.4969896004378711,0.10155329180834233,0.011283699089815814,-2.058454418256118,47.710331595574075,5.3011479550637866,3.4786331727623776,57.30661276474461,27.57101211803315,42.34802773458638,55.62304390910593,6.18033821212288,27.571012118036588,-2.1645885286783084,0.33742472470026275,0.03749163607780697,-0.9777715483242213,52.892164196407094,5.876907132934122,3.571429682754957,38.913576983413165,19.62992267758489,30.780278189199507,39.182896828112746,4.353655203123639,19.629922690180827,0.3462683717566115,0.07422312671902531,0.008247014079891701,-2.3406115468696114,51.40645774100891,5.711828637889878,3.5457874213986575,35.76290781181733,18.287486159674643,29.248421792851023,36.39329329934567,4.043699255482852,18.28748621823393,1.134693877551019,0.12302490352174084,0.01366943372463787,-1.8858316288023897,52.96992147480535,5.8855468305339285,3.5727518097978925,0,11.996320061010241,15.998259298781898,-0.34644260433003543,0.2856821817800323,4.1022909925904205,7.254452390677833,8.0,18.0,15.0,15.0,5.0,3.0,3.0,0.0,0.0,3.0,13.806069999999998,3.610399593138313,3.2783397522497517,2.792423254376401,2.468873160112902,1.9825399199286269,1.0988478507270776,0.9988063313390199,0.6772075091805653,1.8100777261281604,1.5273261363137722,1.377389675256422,0.9823639338912699,0.5635486846813185,0.27964268760261185,0.19949215718493665,0.08392307051869104,3.568999556430654,3.1878507673263274,2.7628388406892874,2.4073784511869074,1.9794712216211066,1.0866120883086048,0.8117466004482338,0.63404401494332,1.7862866899686458,1.5402796209437877,1.3079882071430438,0.9508109261040661,0.5955908499461195,0.15427822880812778,0.04862539784932182,0.2709139018929369,3.676248370699155,3.380760767644987,3.009259778263291,2.680269767566905,2.2720807486508656,1.5488026344036605,1.3622351948887017,1.25577891123025,1.6492056541173348,1.2960095930022226,0.9969701799824251,0.6301853402922967,0.22705792657364912,0.39066062155670844,0.548168024336517,0.9439184268026218,3.5701657152571844,3.1710393900588327,2.771338851102778,2.4131692146482693,1.9899923894197877,1.1547185132223579,0.9089411861433516,0.46514343014323295,1.781138757463306,1.5452928802812944,1.2630249165587215,0.9332189458747489,0.5730280212701446,0.056831831312960615,0.06416917773542834,0.39927724550898197,3.6963571150023204,3.404867296271804,3.090003148787081,2.7457188174418174,2.3616052804333214,1.7399816625700952,1.5873056810628787,1.2090580278398382,1.6217901638004046,1.2667334941410737,0.9158316088934902,0.5583448133728276,0.15261605461165526,0.5755574637451277,0.7695027258281101,1.2076448229620877,4.428771248659605,3.5171692534152568,3.087244004386791,2.9247206632656493,2.2404394193089217,1.7133173784640972,1.2849118975232907,1.0179427247043638,1.6871057265576117,1.3276958085043733,1.1396118568900044,0.7285881837222369,0.2086463582371057,0.11219615006477632,0.2161547063136908,0.5121951219512191,0,0,1,4,0,1,0,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.048112522432468816,0.0,0.0,0.0,0.49279927982674443,0.348461712529338,0.24639963991337221,0.07589030021024659,0.04381528525526738,0.02529676673674886,7.112884175122364,4.3080604124904465,3.0092019217677626,1.9974002407106257,0.946923425058676,0.5350747745081851,0.348461712529338,0.10206207261596577,0.7903204639024849,0.5385075515613058,0.3761502402209703,0.2853428915300894,0.1893846850117352,0.13376869362704627,0.116153904176446,0.10206207261596577,5.625897657686229,2.6825219847121646,1.4080599184205311,0.7370534727249697,0.31327546854248245,0.1402001867841263,0.06804138174397717,0.022680460581325723,0.6250997397429143,0.3353152480890206,0.1760074898025664,0.10529335324642423,0.06265509370849649,0.035050046696031574,0.022680460581325723,0.022680460581325723,11.13873722776308,19.10050983248361,18.325490196078437,18.600000000000005,11.953251497005985,144.93570658682637,0.5862493277770042,1.005289991183348,0.9644994840041283,0.9789473684210529,0.6291184998424203,7.628195083517177,1.1440799999999998,35.42999999999999,25.411910189540066,39.687612790548684,50.82382037908013,5.647091153231126,25.41191018957151,0.0897975787585345,0.009977508750948279,-2.169177539973587,37.381945530344915,4.153549503371657,3.2590690632303767,85,0.0,0.0,2.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,1.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.680847505668934,6.259675925925927,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0688562925170064,0.0,0.0,0.0,0.368765589569161,0.0,2.0688562925170064,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.2261432350718064,0.0,0.0,0.0,6.5855092592592595,0.0,0.0,0.0,0.0,-0.325833333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.343707482993198,4.337140022675737,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.337140022675737,-0.325833333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4310090702947846,0.0,0.0,0.0,0.368765589569161,0.0,0.4310090702947846,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.349537037037037,0.0,0.0,0.0,1.3611111111111112,0.0,0.0,0.0,0.0,-0.325833333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.343707482993198,4.337140022675737,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.343707482993198,1.8327777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6188194444444444,0.0,0.0,0.0,0.368765589569161,0.0,0.6188194444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8766061980347695,0.0,0.0,0.0,1.8327777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.343707482993198,4.337140022675737,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.166666666666664,2.685185185185185,0.6527777777777778,10.343707482993198,0.368765589569161,-0.325833333333333,3.283578970143613,1.9924999999999997,3.343707482993197,8.361695011337869,1.9924999999999997,3.343707482993197,8.361695011337869,4.16666,0.46296,0.0,0.03704,0.57018,0.87037,0.42414,0.52319,0.87037,0.14604,0.04699,-0.09905,0.0,0.53191,0.18238,0.0,0.32,0.12,0.0,9.25,1.02778,4.75,0.52778,4.5,0.5,-0.25,-0.02778,0.0,0.0,4.38215,0.48691,9.9223,5.54014,0.61557,1.9248,0.21387,4.30805,2.38325,0.26481,0.10595,0.01177,0.10595,0.01177,0.0,8.02,2,2,2,2,0,0,0.2857142857142857,1.359992492218488,2.760313697312512,3.4971558025756706,3.7474130395316427,3.642149881636906,3.747413039531643,25.839857352151274,52.44596024893773,66.44596024893774,71.20084775110121,69.20084775110121,71.20084775110122,0.3201543547799405,0.6498024480353861,0.8232616473581723,0.8821744315721151,0.8573945459545742,0.8821744315721152,2.887935021225097,1.487613816131073,0.7507717108679146,0.5005144739119425,0.6057776318066792,0.500514473911942,0.3096298289293721,0.6284413059487455,0.7961983313043951,0.8531744586803736,0.8292091693438522,0.8531744586803737,12.328484113250768,23.93556178725835,27.429041041202417,27.681256549045802,26.418098654308963,27.681256549045802,32.634840218594505,21.555304836729444,16.975146244035635,16.384467161184524,17.80421085388574,16.384467161184528,9.0,6.125,5.877551020408164,9,7,6,2.01,1.0833000000000004,0.14285714285714285,2.5764740294461417,0.6324555320336759,0.0,3.965406456500188,1.8072040072196898,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.468,0.454,0.758,0.352,3.7369999999999997,8.0,7.0,5.0,4.0,3.0,1.0,0.0,0.0,0.0,45.0,2.4849066497880004,2.70805020110221,2.8903717578961645,2.833213344056216,2.9444389791664403,2.833213344056216,1.6094379124341003,0.0,0.0,0.0,4.663439094112067,2.3333333333333335,0.42857142857142855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.375,5.0,0.625,0,4.0,7.0,0.75,1.5,0.666666666666667,0.25,0.16000000000000003,0.1111111111111111,0.04081632653061225,0.0,0.0,0.0,0.0,0.1875,0.08333333333333337,0.03571428571428571,0.03200000000000001,0.027777777777777776,0.01360544217687075,0.0,0.0,0.0,0.0,0.37993083900226765,25.411910189540066,39.687612790548684,50.82382037908013,5.647091153231126,25.41191018957151,0.0897975787585345,0.009977508750948279,-2.169177539973587,37.381945530344915,4.153549503371657,3.2590690632303767,26.3,139.299428380589,4.169925001442312,3.4965075614664802,4.143134726391533,4.8283137373023015,5.501258210544727,6.19644412779452,6.876264611890766,7.575071699507561,8.25712628599743,8.957381735582787,72.83150269647811,2.833213344056216,0.0,3.8918202981106265,0.0,5.117993812416755,0.0,6.411818267709897,0.0,7.739359202689098,8.053251153549096,126.06807956,6.635162082105263,16.65751855230301,1.8508353947003344,5.1207829911473794,5.1207829911473794,0.0,110.0,7.0,1.7510000000000001,32.0,1.2265215478349891,2.1386478758757503,3.0156162908811672,3.8408783340171175,5.120049510872011,6.192024240221635,7.421318890527111,8.608601326925715,9.449441841315586,0.0,107.45797559270774,130.91032090436659,164.7628796808692,180.73244095485921,213.95358142707335,250.3515308498734,167.87223860001887,75.56302759100134,9.60123767505448,0.0,305.0966933432281,381.5634550148665,520.5480340068535,615.3361494735543,721.2027761999248,808.5673403280541,815.8575062071475,771.5411939740648,293.72403521039274,0.0,9.54924561815783,16.786783463956787,22.93311909110187,29.79340142413394,38.64031818946544,47.25755571859776,59.98432120835044,60.24130322810322,63.48573483097248,0.0,2.080116244463471,2.730486466782817,3.81100301732582,4.585641177253498,5.530068488920653,6.169551641703982,6.481955531214157,7.857367765992166,4.201343786269005,0.0,177.4247763734719,337.9124061405404,474.64744199597163,610.1788523224272,829.8728471744197,1015.4850850820125,1268.3687969106898,1400.337716462524,1747.3685982357742,0.0,4.5368976153246345,8.258780180752007,10.142566969676759,13.463351712458676,15.290608986636538,19.37676507909429,24.71054081199862,14.632944768285135,9.449441841315586,0.0,0.47579439097846166,0.6487529572371163,0.8880296471025813,1.0911090029558559,1.3171693259003838,1.5306488641668023,1.6675334415273877,1.7104704334082494,0.967622844550716,0.0,319.1222290784112,265.7549812070685,15.6026689905653,151.8974856038537,-126.49546084153991,-20.869971206233796,167.22474347455747,392.2504420486084,36.4726401967991,0.6775135289054324,0.5642120126252856,0.0331252992267858,0.32248647109456763,-0.268556616418635,-0.04430806302940424,150.31286128928164,125.17583542354407,7.3491646962178905,71.54671033008061,-59.58185587418374,-9.830167882987327,0.3430205019575041,0.37895804378084746,2.5890077302753576,7.1552914778521055,410.70070212810487,60.31901255416007,0.8719395161732256,0.12806048382677437,680.9845954229534,26.095681547393113,8.797901511603566,781.5839252048053,27.956822516244674,9.211390763393652,1092.9799007155684,33.06024653137917,10.300794549306032,2.8197726850933975,2.8197726850933975,1046.6767013231388,990.7530426818415,62.396164965566754,1.0564456087764507,16.774696039423993,15.878428477592932,4.4734230868958536,5.649015696561659,10.239018086711244,0.8125313570899342,4.28557845164195,3.8068559946373903,3.02639169513211,8.304277414822913,2.9190153372664205,0.8547653744424833,4.5826835966385575,2.5407658874383974,9.181347706473737,0.1212526176939326,1.8376389044584456,1.7116890881514912,3.758522012194067,5.725811034108564,0.4283810975895853,0.2490107855019423,2.2544972668573053,2.959104600266485,0.0033029395510013014,0.0011014190265739062,7.084187463985394E-26,8.788270594803249E-70,2.1027744957565737E-135,9.704158604851223E-223,0.0,0.0,0.0,0.0,0.0,0.0,0.3681234931112817,4.078858955872336,0.2895908165129372,4.7319903505732785,0.2065001075481421,0.6639473486187298,0.5996253328341515,0.11117409540639059,2.2470339842375893,0.009307969323415136,1.4254828942265492,0.35715060644145125,0.2991796676145311,0.4468564397384264,0.037489564279103216,0.2296186668682435,0.052683633107881586,0.07893134352191049,2.3262873323549682E-5,7.757384262000873E-6,4.989451154945765E-28,6.189650837465103E-72,1.481001270756994E-137,6.834718251726328E-225,0.0,0.0,0.0,0.0,0.0,0.0,1.164038339592608,3.567131824664903,0.7030069386806898,4.743786025771061,0.33945501473978884,0.4718605294478234,1.3226671563375592,0.3527399363794414,3.1335757707355922,0.030588399657525557,0.9270006976895547,0.5435653320770985,0.6931640507477228,1.0518337750030229,0.11174224948721236,0.23091674782999147,0.26002560814762943,0.3664263088491359,2.4241707580057933E-4,8.083792498475292E-5,5.1993927921595744E-27,6.4500933972266445E-71,1.5433175099269586E-136,7.122303377845902E-224,0.0,0.0,0.0,0.0,0.0,0.0,4.047856440253107,4.080747678105692,3.2898612314437305,8.75846712838844,2.6685427647877806,0.9857715077117654,4.6181385852083014,2.315404294430764,9.407668199369924,0.11384970169568559,2.059936569907373,1.6776122109663048,4.090306445632884,5.909100695608583,0.4216805957326737,0.24688895580754067,2.034058577037798,2.676507421579098,0.0029428596753297365,9.81344523233136E-4,6.311883489941161E-26,7.830190879966864E-70,1.8735342183291826E-135,8.64623060769093E-223,0.0,0.0,0.0,0.0,0.0,0.0,1.7116899575422109,3.3728732714823417,0.9077029093011064,4.814824585577606,0.5589573299539127,0.4150440132034172,1.7668580593408718,0.5947822110848329,3.703727086500714,0.045663161087729456,0.7811274996383891,0.7016310681004682,0.8904948475190214,1.4437081905213385,0.1594933141549005,0.23259609048487248,0.4742424290174119,0.6529804776889514,5.265622820150606E-4,1.7559077516618823E-4,1.129377592189543E-26,1.4010464763005206E-70,3.352291859875655E-136,1.5470594666063042E-223,0.0,0.0,0.0,0.0,0.0,0.0,5.175465770275581,3.982095792929419,4.019250132543851,10.166559929196742,4.1702770360858885,1.0279742676375825,5.719579667576679,3.50946472168617,11.787459533842119,0.14930636253350216,2.3390383698185993,2.0721306781820195,5.245244056632248,7.868629072881824,0.5314001057152399,0.25796109180861415,3.1679262491795512,4.126102076285187,0.004817026919681135,0.001606316137165539,1.0331621633142345E-25,1.2816866727027256E-69,3.0666989800064666E-135,1.415260331308647E-222,0.0,0.0,0.0,0.0,0.0,0.0,2.265768716532831,4.429181798380451,2.124671367599909,8.811383816982973,1.2586036582767175,1.0953853138234888,2.8573151301800435,0.9549696956949884,7.565868776244739,0.06064570421311543,2.086424348691769,1.3223668019318708,4.158940087267026,3.3076012291330383,0.24658595916539222,0.2459489715082102,0.7170447173793996,0.9745285438629628,8.665058548434731E-4,2.889505001303347E-4,1.8584929634845678E-26,2.3055486807306562E-70,5.516499420753415E-136,2.545826260999042E-223,0.0,0.0,0.0,0.0,0.0,0.0,11.091469289891043,0.7662227745865466,0.16900662959443158,0.9222372300187454,0.06371014973246308,0.6002840549848361,0.4550593645875521,0.21051542587117458,12.02669869407202,10.502564944127784,23.965572627177785,0.8833558450281181,1.2658588454435626,8.059170312969314,0.4764322373578971,0.025657445272696897,0.941353295789563,0.05564978024295035,0.3170510744653142,0.17441140691833157,0.004851804184683229,8.56125999559991,4.058650298760826,12.718425866730856,0.9120299436843445,0.496314285568329,9.188721500064494,0.49868765805084686,0.07810029526297668,0.9409362147394895,0.05106622039860184,0.41198978692370103,0.1927894846283646,0.044955392550832377,9.765509453378316,5.3388915209307,15.462280113910873,0.9114043221092343,0.649734664102898,10.866417561059164,0.7730961934765118,0.15868900849924228,0.9210231235476694,0.06552660680647973,0.5762046029517955,0.4625453710572933,0.18559665141769904,11.798202763034919,10.24784895030172,23.37916412273022,0.8815346853215041,1.2243466254267878,9.810975421774742,0.5363155365448843,0.10726198903362177,0.9384404547167711,0.051299710207184115,0.4696533416705598,0.22337661872164197,0.08479458817014698,10.45455294735325,6.371649556656767,17.390591336854055,0.9076606820751567,0.7778245485623487,11.327153737681238,0.8118111387724974,0.1804075313404081,0.9194586674329972,0.0658971181242062,0.626076979476052,0.5105751024029802,0.23987543241495551,12.319372407794145,11.385470261227098,25.36378185083488,0.8791880011494959,1.3765275142939877,10.879331369840852,0.7752352277139568,0.16028308832449642,0.9208184326579668,0.06561532717936233,0.5776270018345692,0.4641221070689221,0.1893441303831703,11.814849685879304,10.302070859213769,23.46875467270908,0.8812276489869502,1.2310932392866616 +UMLCN0154,L,ethyl decanoate,CCCCCCCCCC(=O)OCC,Esters,,C12H24O2,NREL (2014),CFR,PubChem,,51,0,-1.6682999999999988,2.783224889999996,47.1113,38.727031999999966,0,0,38,14,24,0,12,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2267.4909899999975,2309.7032890000005,2662.6155209999993,2427.934463999996,2269.4897989999963,1924.974504999996,1685.9331839999963,1489.1764549999968,1292.4197259999974,6260.994241262993,7897.036316613206,10155.97948147143,10323.594153814041,9621.962793500457,8748.256787559727,7681.920017313766,6675.121672358644,5668.323327403522,278.43276000000014,276.32998000000003,515.7425880000001,667.8848880000007,590.8061960000002,568.4677,517.4800799999997,454.59517999999974,391.71027999999984,45.423917716376046,58.63208344000002,82.04182594473494,87.39297432595988,80.73672160146988,74.91616096746992,66.95800557916805,57.93647671977208,48.914947860376074,6330.458493266977,5402.9146912546,11055.665718129538,15347.219282423712,13339.186677107973,12937.988173873322,12012.98610089177,10534.030945853174,9055.075790814577,116.27777777777777,86.0,153.08333333333334,171.25,167.33333333333337,155.58333333333334,128.33333333333334,116.08333333333333,103.83333333333333,59.67081552631572,62.42441321621623,38.03736458571427,26.390591999999955,28.018392580246868,24.67916032051277,23.415738666666616,23.637721507936458,23.933698629629582,164.7630063490261,213.43341396251907,145.08542116387756,112.21297993276131,118.78966411728959,112.15713830204778,106.6933335738023,105.95431225966101,104.96895050747263,7.327177894736846,7.4683778378378385,7.367751257142858,7.259618347826095,7.2939036543209905,7.288047435897436,7.187223333333329,7.215796507936504,7.253894074074071,1.1953662556941065,1.5846509037837841,1.1720260849247848,0.9499236339778249,0.9967496494008627,0.9604636021470503,0.9299722997106673,0.9196266145995569,0.9058323677847421,166.5910129807099,146.02472138525945,157.93808168756482,166.81760089590992,164.681317001333,165.8716432547862,166.84702917905236,167.20684041036785,167.68658871878847,3.059941520467836,2.324324324324324,2.186904761904762,1.861413043478261,2.0658436213991775,1.9946581196581197,1.7824074074074074,1.8425925925925926,1.9228395061728394,0.2905460792113597,-0.1622493533661142,0.04919597287285028,-0.02590753554867862,0.003767186789401156,-0.015413890265496513,0.002323955828950032,-2.9966027498540195E-4,-0.001289684039123511,1211.467208842106,-18.54248545152494,-227.42886318282564,84.41011396121955,-125.79115242659248,-231.77510583379438,11.312292299169638,8.115724709141812,4.9191571191139865,1833.3929407082658,-153.1843582727421,-683.016186664341,237.88668681015199,-160.87310754096876,-213.2429105197026,11.06909867002853,10.64312981220619,10.217160954383736,2.1251014736842073,0.042474459833796316,0.837765706371192,-0.27005325207756226,-0.2868485096952903,-0.4264044986149579,-0.08607184487534725,-0.11153728531856,-0.13700272576177286,8.126575126664852,-1.0510555772029007,-3.3013208871410584,1.1320187167049052,-0.6598065660825303,-0.49185491483930827,-0.046686715802862586,-0.04767593748539993,-0.04866515916793772,44.944867069128016,-6.336924671096552,-17.940770856989378,6.130468811302093,-3.607114643454042,-2.0392423245899787,-0.4675659273119297,-0.48348126364791955,-0.4993965999839094,40.48538011695902,0.21014158202524022,12.127808556478914,-2.559633733456451,-3.701292705447834,-9.430517082179131,-2.042474607571565,-2.585410895660207,-3.128347183748849,0.007645949452930519,-0.004385117658543628,7.027996124692897E-4,-2.8160364726824584E-4,4.6508478881495753E-5,-1.9761397776277582E-4,3.227716429097266E-5,-4.756512301355587E-6,-2.38830377615465E-5,31.880716022160684,-0.50114825544662,-3.248983759754652,0.9175012387089082,-1.5529771904517589,-2.971475715817877,0.15711517082180051,0.1288210271292351,0.09109550220581457,48.24718265021752,-4.140117791155191,-9.757374095204872,2.585724856632087,-1.9860877474193674,-2.7338834682013156,0.15373748152817404,0.16893856844771732,0.18920668434043955,0.05592372299168966,0.0011479583738863868,0.011968081519588456,-0.0029353614356256766,-0.0035413396258677813,-0.0054667243412174086,-0.0011954422899353783,-0.0017704331002946032,-0.002537087514106905,0.21385724017539084,-0.02840690749197029,-0.047161726959157976,0.012304551268531578,-0.008145760075092967,-0.006305832241529593,-6.484266083730915E-4,-7.567609124666656E-4,-9.012066512581059E-4,1.1827596597138952,-0.17126823435396088,-0.25629672652841967,0.06663553055763144,-0.044532279548815334,-0.02614413236653819,-0.00649397121266569,-0.007674305772189199,-0.009248085184887211,1.0654047399199742,0.005679502216898384,0.1732544079496988,-0.027822105798439686,-0.04569497167219548,-0.1209040651561427,-0.0283677028829384,-0.041038268185082646,-0.05793235525460831,-0.5735216647113606,0.09191789937872563,-0.03683043538305286,0.006082760443004251,-0.025845577318986183,0.00422147236123848,-6.220957031742505E-4,-0.0031236196248188215,-0.01571947929583092,-0.1019106270228135,0.028779191724274376,-0.048712117675533545,-0.09320605326907862,0.004928219639502068,0.004040719381575056,0.0028573857043390416,-0.0858105606118024,-0.20223717861297508,0.053593281816641566,-0.04116484400380658,-0.056664105923478,0.0031864551064616606,0.0035015219369903595,0.0039216110443619145,0.020527216581359843,0.21400723841949737,-0.05248866274625306,-0.06332446118428182,-0.09775322615824004,-0.021376300181463644,-0.03165799781530446,-0.04536692799375892,-0.132831170310965,-0.22052901702312816,0.05753628569432692,-0.03808970913686336,-0.029486176088113675,-0.0030320535692001686,-0.003538626570912553,-0.004214057239862437,-0.14480391933166709,-0.21669383498454522,0.05633902882158689,-0.037651165376732174,-0.022104349055041623,-0.005490524773424007,-0.0064884743989709484,-0.007819073899700203,0.005330840012336522,0.16261839417263382,-0.02611411865928951,-0.04288977696460011,-0.11348181646462749,-0.0266262217728346,-0.03851894650681313,-0.05437591281878452,1.6159409674499472,0.939849414657453,1.094406584109277,1.0473678953200323,0.9500561561558946,0.7978691260448425,0.8901456684218538,1.0109608415728304,1.2188925240587811,1.164898455690625,0.9321792618011905,1.0392279637073514,1.0726776484352616,0.9163667112880886,0.92989417989418,0.9479308047023016,1.5016977059212064,1.337050575142704,0.8902394796426636,1.02878601471756,1.0164456228419074,0.9398610965151217,0.9298941798941806,0.9166049577329253,0.7158660510279541,0.7061028869896061,1.0551525193879998,1.0797787939014083,1.1498747318372093,0.8251273433514648,0.9298941798941811,1.0695832952844695,1.625189850869963,1.3838994463636252,0.8809053983233527,1.0283060118161964,0.9876542837836783,0.9409411030431847,0.9298941798941789,0.9151649490288377,1.6451584947711915,1.3839347018517505,0.8817865399401542,1.029314431566665,0.9818709259380268,0.9386721586046279,0.929894179894179,0.9181902082802466,0.5783980933121484,0.4892320628959375,0.8874200051498167,1.282012855698398,1.398204424493607,0.8229422456545822,0.9332521684103378,1.080332065418012,120.04276965221763,60.271384826108815,96.41291137799747,120.47134108078907,8.605095791484935,60.271384826108815,0.5,0.1629463897870287,0.01163902784193062,-2.5400676410003347,152.59698628049046,10.899784734320747,7.0389205173146365,120.05824544038248,60.27838829928996,96.42167229359639,120.48555786169456,8.606111275835326,60.27838829928996,0.4985311581974443,0.16277930357597387,0.011627093112569561,-2.541503945969581,153.08271896138788,10.93447992581342,7.043369790942888,133.96855814079527,66.58528459233958,104.5742565202039,133.28456760698145,9.520326257641534,66.58528459233958,-0.7979889561161286,0.01334000255290474,9.528573252074814E-4,-6.043783265971512,91.73100527750798,6.552214662679141,6.326404613974902,120.07448815148351,60.28573887596067,96.43086807996379,120.50047923757307,8.607177088398075,60.28573887596067,0.49698960043782847,0.1626039391752972,0.0116145670839498,-2.5430129983881513,153.59977500706972,10.97141250050498,7.048090498280687,149.0525792810828,73.44399537620222,114.07901230748053,147.1972176850728,10.5140869775052,73.44399537620222,-2.1645885286783653,0.14433447805324845,0.010309605575232032,-2.709870672032084,103.28588599861284,7.377563285615203,6.492501029848301,121.66638660714105,61.006327489448815,97.33567357201399,121.96318806864669,8.711656290617618,61.006327489448815,0.34626837175658665,0.145426432263339,0.010387602304524216,-2.6993189165919422,547.3960327416202,39.09971662440144,8.827241568771573,124.4966477082157,62.42528899611128,101.94041438090939,125.22623676506771,8.944731197504836,62.42528899611128,1.1765873015872828,0.255799284440908,0.018271377460064856,-1.9087070620512032,88.2919377131355,6.306566979509678,6.272908316940016,0,11.89,15.995920670931365,-0.31594960407542316,0.2614902881930559,4.190849593175616,7.5148564581377935,13.0,37.0,36.0,36.0,12.0,1.0,1.0,0.0,0.0,1.0,29.11096799999999,3.5740968510359177,3.449351464521532,3.2307769858827244,3.0216044912413853,2.8037437143442996,2.4477000024642215,2.066750176958808,1.8969124382200908,1.9270504883867339,1.7975530639232156,1.66183022867828,1.5710129372034842,1.3349880791292654,1.088278151584552,0.9017553205010927,0.8239852427387545,3.5534512603647497,3.414105826708338,3.211682196461351,3.040924613896897,2.791221351335178,2.445997747715659,2.094403722091729,1.869028019994545,1.8730352741770624,1.7570260162886675,1.6273668634353595,1.4983552850999247,1.2762703374787872,1.0318773618093973,0.8284127477208205,0.7057589835400356,3.689162027334591,3.5791496511576044,3.4016761689729984,3.227989038202588,3.0079549980205194,2.7103107402951436,2.4138334054892736,2.2459464325892298,1.6938441183064592,1.5516322339427986,1.3752251455767133,1.249264733458354,0.9946528794831829,0.6935437737409064,0.42244824003316706,0.2661569086340828,3.5686237885672765,3.4187623861470726,3.2146365514667767,3.0660162032286697,2.804790524961609,2.46230653501646,2.1259419531924917,1.9116187362843382,1.8430485291989367,1.7411191470509821,1.6010556528890802,1.45219135081252,1.2422469850822935,0.9944326716287375,0.7690251702871458,0.6328951356737595,3.737049895938333,3.6189937608948832,3.459324229766722,3.3065011574534746,3.078467477799891,2.7986489499558256,2.5357663293902295,2.3783103484771737,1.64191601739121,1.5041106038142642,1.3212427972959724,1.1729284053688995,0.9237818099719689,0.6097934547563686,0.3092363036610242,0.12509493496909727,5.068668513262634,3.554785001931531,3.4712215831416366,3.37033723133607,3.089475339719901,2.761762970831759,2.603256653830184,2.320261779660129,1.8021440575416814,1.6273811916587138,1.3864942545051309,1.3200938702773888,1.0560097801365504,0.7571231537947818,0.5066632286757718,0.4352473922948298,0,0,1,0,0,3,8,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.49279927982674443,0.348461712529338,0.08333333333333333,0.10059223176554563,0.07112944921610614,10.648418081055103,6.808060412490448,4.803842328271808,3.0819512300735075,2.087042908137443,1.1466380477393472,0.7224071914746781,0.44831902386967354,0.760601291503936,0.5236969548069575,0.36952633294398524,0.2568292691727923,0.18973117346704027,0.12740422752659414,0.09030089893433477,0.06404557483852479,9.680457611606656,5.964690378025045,3.676341513380009,2.2897794361340935,1.459600769847502,0.8654269355176073,0.5235609070776746,0.3077134677588036,0.6914612579719039,0.4588223367711573,0.28279550102923146,0.19081495301117446,0.13269097907704563,0.09615854839084526,0.06544511338470932,0.04395906682268623,19.93153185426418,37.315367807720335,35.40392156862745,35.919999999999995,22.543132934131755,292.648102994012,0.5245139961648468,0.9819833633610614,0.9316821465428277,0.9452631578947367,0.5932403403718883,7.701265868263474,3.6902000000000026,59.24300000000005,63.58852366763933,100.41167198025174,127.17704733527867,9.084074809662761,63.58852366763933,0.08818690626246506,0.006299064733033218,-3.399615494889641,112.19148414432316,8.013677438880226,6.608289927842651,235,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,9.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.804060325346851,-0.04068685962039087,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.563153258127555,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0728198431959255,0.0,9.830473357744282,0.0,0.0,0.0,0.0,0.0,0.0,-0.04068685962039087,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.956017057687783,4.848043267659069,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.848043267659069,-0.04068685962039087,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22109504132231406,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8498494303215622,0.0,0.5092592592592593,0.0,0.0,0.0,0.0,0.0,0.0,-0.04068685962039087,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.956017057687783,4.848043267659069,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.956017057687783,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2229704128743633,0.0,1.3451154537802266,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.956017057687783,4.848043267659069,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,29.666666666666664,2.119047619047619,0.5559027777777779,10.956017057687783,0.17113447269020865,-0.04068685962039087,6.503483177899859,1.7073535262870576,3.956017057687783,11.05406147644243,1.7073535262870576,3.956017057687783,11.05406147644243,6.66666,0.47619,0.0,0.02381,0.48772,0.80952,0.42727,0.48772,0.80952,0.06045,0.0,-0.06045,0.0,0.58823,0.12606,0.0,0.2,0.075,0.0,8.75,0.625,7.25,0.51786,1.5,0.10714,-5.75,-0.41071,0.0,0.0,14.37715,1.02694,17.82861,3.45146,0.24653,5.72862,0.40919,6.80805,1.07943,0.0771,0.10595,0.00757,0.10595,0.00757,0.0,13.02,2,2,2,2,0,0,0.9166666666666666,1.1674367232867007,1.7823858168196125,3.0262858190338435,3.7351921593550594,4.020843553362252,3.879085081048757,44.36259548489463,67.73066103914528,114.99886112328605,141.93730205549227,152.79205502776557,147.40523307985276,0.22245671654116503,0.33963613488442534,0.5766630372240137,0.7117461416505162,0.7661774182402635,0.7391651411174653,4.080490790156885,3.4655416966239727,2.2216416944097417,1.5127353540885258,1.227083960081333,1.3688424323948283,0.22245671654116503,0.33963613488442534,0.5766630372240137,0.7117461416505162,0.7661774182402635,0.7391651411174653,10.299818506707174,17.889466293312644,22.047881590458168,24.166658674462834,25.03308082440056,22.32881850935634,51.436928914486664,36.309894341455944,30.40742360632553,24.490271554976538,22.423605208772337,27.730303978771577,14.0,11.076923076923077,11.0,14,3,10,2.56,1.8738000000000015,0.08333333333333334,3.6517353939347275,0.3849001794597506,0.0,11.862102512148654,2.5648987714556735,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,6.352,13.0,12.0,11.0,9.0,8.0,7.0,6.0,5.0,4.0,102.0,2.70805020110221,2.772588722239781,2.70805020110221,2.6390573296152584,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,4.7535901911063645,1.1274509803921569,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.7692307692307693,12.0,0.9230769230769231,0,6.0,12.0,1.0,1.5,0.666666666666667,0.375,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.01652892561983471,0.11538461538461539,0.05128205128205131,0.03125,0.014545454545454549,0.012345679012345682,0.01020408163265306,0.008928571428571428,0.008230452674897118,0.008000000000000002,0.004132231404958678,0.27124758180999164,63.58852366763933,100.41167198025174,127.17704733527867,9.084074809662761,63.58852366763933,0.08818690626246506,0.006299064733033218,-3.399615494889641,112.19148414432316,8.013677438880226,6.608289927842651,26.3,231.05226891152236,4.807354922057604,3.970291913552122,4.634728988229636,5.332718793265369,6.013715156042802,6.720220155135295,7.407924322559599,8.118207049405783,8.80941494391005,9.521861033907806,87.52908235600847,3.295836866004329,0.0,4.3694478524670215,0.0,5.58724865840025,0.0,6.874198495453294,0.0,8.19891444498699,8.514589805546123,200.177630008,5.267832368631579,26.651680792382614,1.9036914851701867,5.315558076738581,5.315558076738581,0.0,428.0,12.0,4.899999999999999,52.0,1.2398918918918915,2.13507524660093,2.8612988303091638,3.6454505429600674,4.918067736858916,5.896890934467414,7.205275608924389,8.301580294168637,9.58229163401278,10.700903011481767,88.5727250909189,89.64175284275804,88.35050951085293,126.29383686061827,141.06466809768406,162.5214492951972,192.22330183570577,223.24723144987095,255.59321853468512,291.2508586486648,289.30415534330916,330.1546734201232,352.8444592527122,502.34543108397185,604.3987557814253,699.9565156377499,822.902943778597,939.3676526118356,1050.3877747425597,1146.4481514711952,9.31017436410811,15.811064600398543,20.831979376638913,26.728005449480975,35.95794383292947,42.60556677514739,52.182982401244345,60.45278218596854,70.24143721984164,79.31456532335669,2.0937462791545935,2.6186526603351203,2.8977320078186306,4.070805118037007,5.041343100372466,5.924956991939285,6.983910456486894,7.935363316452338,8.835521798832314,9.526834172243788,179.05167236094175,333.99328904848204,473.5405310937403,586.2040602403557,806.8331312986908,969.6021409854396,1193.9869237724981,1378.4872161952471,1602.5188801723384,1800.4843943761484,2.9611779279279276,4.851699345304684,5.431824809448352,7.7157641583510985,9.963727021408307,10.83249597569718,13.56583776256845,16.30535414123071,19.863198489765253,25.072953509690983,0.4558086486486486,0.5881989940636988,0.6560283637294902,0.9165904186691425,1.1413666019414488,1.3327006703589575,1.5869203243706307,1.823655146379278,2.0663839300723525,2.2860236287096365,543.9158479881457,573.1249203683133,16.713336127026864,223.06953086015227,-235.04868921121803,-22.837567112522947,320.8463171279935,808.1736095795313,39.55090323954981,0.7091606476317549,0.7472436061674544,0.021790944896659628,0.29083935236824543,-0.30645784873261367,-0.029775752892207345,417.1755027307811,439.5784341760912,12.818884441206642,171.09106863628594,-180.27890794246184,-17.516080063771838,0.2481162400108229,0.299793325769212,1.217255699947632,4.303037868575938,716.8834310146959,50.10194783360178,0.9346767888732967,0.06532321112670318,958.4740055061644,30.95923134553189,9.859618544690194,1190.9628714690682,34.51032992408314,10.599842383645031,1670.599707531108,40.872970378125295,11.865629959593097,3.5999556222671045,3.5999556222671045,4244.968078753743,4166.161477017628,115.51139650384164,1.0189158778820375,36.749344283207286,36.06710336048159,6.311288319015868,8.108225633110866,15.893391788920907,0.9601565753200583,6.706839340034841,9.984132226910795,5.018081323367687,41.03812543525793,17.26907171537182,1.7533093912548885,8.813131322964466,9.006476481114415,27.437009510504815,1.591183207423636,4.076510346765765,21.82004237389999,3.5536391346985425,19.398575681139935,3.359553540129716,7.1275128679362005,8.70611956454006,2.972389322798918,5.902913136810717,2.943491901622324,9.31802694258289,3.580118374071592,2.105464290947441,0.029555312296394215,0.8812186371962334,4.892980163543381,8.171813374637178,0.45589671880584276,2.2199046552609407,0.0020331484094730534,0.5793660714300287,10.134844726423832,0.41918868132411663,9.459809556191882,0.2818035240323491,1.6750246164827618,1.2904179630459531,0.543320765713711,7.777950372572704,0.03793902612747292,2.727683452169019,2.2688605012083314,0.31105384646179357,5.00100537065818,0.0735275056742762,2.9040390100326126,0.5644124901501891,0.3682183460355072,2.027395588780676,0.1045367137192081,3.007599263097568,0.1748355822075033,0.5798618031335593,0.00205846169479395,0.05818034429085015,1.1569463146293821,0.34630819057208073,0.4320386871980336,0.0182504429365514,1.3176953202455056E-4,1.8228468662327058,9.853779573939612,1.1084818333717164,11.53591766222258,1.4546177972264376,1.528469079696399,2.443967337631526,1.4149463474800223,9.616058263825925,0.18546401662399417,2.4848885416514075,4.995811821516976,0.6362934506291983,6.873050668032565,0.37468732662427484,3.0475703322015697,1.5422583551433573,0.6009848212058388,2.5723548825135114,0.43134789866972467,3.626370484842136,0.6380897671528976,0.743224705161895,0.004051718441982821,0.15336889578478413,1.8871387970564195,1.3416283017083186,0.43690583611035727,0.16964800292009274,4.5097310197728666E-4,6.335824341773482,10.13466843639833,5.207657606721734,39.18350247175699,15.938177819844189,1.8314351273885674,8.621166283039349,8.72856437648853,26.94738151106764,1.436122290007576,4.13333522880951,20.541910626395573,3.2374110230485575,18.867452684792344,3.0276373370015914,7.083066719532006,8.526820191645346,2.708208978478245,5.926137934800424,2.680303252545958,9.351897832090573,3.2913124606732,2.3370879420450734,0.02711538341101439,0.9091724689738137,4.652796671264915,7.479762458923718,0.4544351623287747,1.979695956304072,0.0018923698495859924,2.6789591494868024,9.746999908576994,1.5139655502330345,13.970410927457625,2.808997892657284,1.483358075596321,3.280580267094207,2.1298250773396172,11.302495834851138,0.3370708569111783,2.488211011706024,7.2609519814003844,0.959311181660118,8.389437064407755,0.6911624742263965,3.371480885250169,2.2828991406248678,0.8495340177807276,2.9821453035897267,0.7307194819313315,4.231501873349706,1.0250087360679834,0.8041793309001952,0.006521285866885948,0.21393892898288963,2.3980167422685943,2.2036402162042146,0.4402478078741095,0.36206212940776217,6.905566746564657E-4,8.099502837303733,10.079720527210734,6.631196985190926,55.4970815353512,25.180955031230518,1.8667966733238257,11.104202792025134,12.529094622209053,35.206233003909894,2.233398171733008,4.852167086366694,27.94421434248287,4.864416233859747,24.16991984658997,4.736944427790709,8.767994493171141,11.823243619921989,4.072870236580956,7.033192459122239,4.019456464386924,11.306851407012905,4.7466674245585425,2.7990760399935324,0.04130419073736283,1.2191952342161156,5.79529051072363,10.97598818836823,0.46130932284153353,3.2289915248347847,0.0025820668805710207,4.3241267806344625,10.012933745128569,4.14087384371825,30.150487050454245,9.23991278469883,2.092384761774356,6.844198635337865,7.758408909309921,24.504518011700004,0.6918689606826028,3.9150079036373753,14.578677350343293,1.7352189319359628,16.625810757253674,1.4440187631413552,6.044815113636102,8.03782217045198,1.5025397802493339,6.74234830094395,1.36745185684329,8.09364724939852,1.7905189090616747,2.514786299027876,0.01523213922070062,0.6926685702592026,4.0698285836591515,3.9396849523955138,0.6943943439069469,0.8835042321523321,0.001395800473651669,23.128134739312713,0.8224581426484665,0.479208007894737,0.9467181023532739,0.03366618280503379,0.5417367196771994,0.5924732070574351,0.578933972753212,24.429800889855915,30.499238643481096,64.04449723619645,0.9200771535299108,1.7131438994878465,21.16457547454368,0.49416840620527314,0.09163039273968913,0.9730671853468293,0.022719995527047603,0.45408118573148526,0.20987575062863045,0.021167033533059786,21.75037427348864,12.443463738307827,35.152187876315985,0.959600778020244,0.6851239698931755,21.895976311086052,0.5746277676316796,0.24751314967065793,0.9638112212804767,0.025293811184037247,0.48562618219253734,0.2890647786430391,0.15444628103013627,22.71811722838839,18.143805978281275,43.9761425632686,0.945716831920715,0.9291372418657127,23.050550300070093,0.8233594592601658,0.4606323139477691,0.9472358358196558,0.03383500937806033,0.5381421017794568,0.5938987043188079,0.5349210689723305,24.33454207327803,29.97598292613549,63.052814385536756,0.9208537537294837,1.666961875070595,22.266358989369614,0.6273060384108806,0.32252839262096133,0.9590874173973256,0.027020193493892473,0.5021244199373256,0.3447112416641,0.26225079064153445,23.216193420401453,21.351678430068713,49.07289085033473,0.9386311260959884,1.10908645224296,23.280894142279642,0.858303500056385,0.5066810527066418,0.9446161133204967,0.03482543717254545,0.5489173128961475,0.6452519103121674,0.6472174681080769,24.645878695042672,32.21294699967331,66.98336344050804,0.9169241699807451,1.8413866913163919,23.09135727001042,0.8328063399484327,0.46351907096708667,0.9468450763495705,0.03414864588999208,0.5400685240977853,0.6074922547795159,0.5416467187850124,24.38768268092594,30.31993482263172,63.62138066774929,0.9202676145243557,1.6892074976623137 +UMLCN0155,L,methyl palmitoleate,CCCCCCC=CCCCCCCCC(=O)OC,Esters,Olefins,C17H32O2,NREL (2014),IQT,PubChem,,56.6,0,-1.515700000000001,2.297346490000003,67.86290000000001,52.861375999999964,0,0,51,19,32,0,17,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2996.940106999997,3127.8805980000016,3536.8177620000015,3366.2996449999982,3048.9580149999983,2809.9166939999977,2613.159964999998,2416.4032359999983,2230.737530999997,8627.248705457096,10932.51375632401,14290.665499367633,14946.527903205433,14081.430436360988,13015.093666115044,12008.295321159918,11001.496976204786,10078.351503189242,369.88305199999985,370.97361600000016,687.3428400000014,900.5473400000028,863.5588600000023,812.5712400000021,749.6863400000016,686.8014400000011,624.3157080000005,62.92532095516805,81.48493791999995,116.00765729528183,128.00834283129868,121.03425364505374,113.07609825675173,104.05456939735576,95.0330405379598,86.68044308371486,8443.771489910969,7261.8668534078015,14699.863974716929,20675.305907022856,19719.887697059272,18794.88562407773,17315.93046903915,15836.975314000561,14326.225054650618,139.02777777777777,114.5,194.41666666666666,224.8333333333333,222.08333333333331,194.83333333333334,182.83333333333334,169.83333333333334,156.16666666666669,58.76353150980387,62.55761196000003,37.625720872340445,26.716663849206334,25.40798345833332,24.64839205263156,24.887237761904743,25.17086704166665,25.640661275862033,169.16173932268816,218.65027512648018,152.02835637625142,118.62323732702724,117.34525363634157,114.16748829925477,114.36471734438017,114.59892683546651,115.84312072631313,7.252608862745095,7.419472320000003,7.31215787234044,7.1472011111111335,7.196323833333352,7.127817894736861,7.13986990476192,7.154181666666678,7.176042620689661,1.233829822650354,1.6296987583999991,1.234124013779594,1.0159392288198308,1.0086187803754478,0.9918955987434362,0.9909958990224358,0.989927505603748,0.9963269319967225,165.5641468609994,145.23733706815602,156.38153164592478,164.08972942081633,164.33239747549393,164.8674177550678,164.91362351465858,164.96849285417252,164.66925350173125,2.7260348583877994,2.29,2.0682624113475176,1.784391534391534,1.8506944444444442,1.7090643274853803,1.7412698412698413,1.7690972222222223,1.7950191570881229,0.3261517597391561,-0.1538175462196463,0.004979013441182674,0.013832028122455917,-0.03619882179593381,0.0056538204438335675,0.0043814022558453835,2.0459923595827134E-4,-0.024714777825819205,1583.9877446274475,-18.619260222990924,-447.3119344505951,44.99587894002376,-243.1451292018453,-0.5416817162625946,-3.652132664359449,-6.762583612456531,-56.696840423298454,2529.042990103632,-149.62529772373597,-904.3295483048171,4.220462560340202,-226.15771977029658,5.745128534284568,4.590149155124045,3.4351697759639777,-78.13730033826184,2.2179469803921505,0.05168241138023623,0.6863756831987678,0.0036529504036927427,-0.36137862053056424,-0.054817328719720844,-0.07042762629757592,-0.08603792387543104,-0.1159672018454431,11.260415816866482,-1.0161555868686336,-3.7371404976091984,-0.2518428978165332,-0.4741938205183383,0.009542044859956966,0.009289021567929268,0.009035998275901569,-0.3320110261951631,62.020207812666456,-6.109120618269672,-19.37854944742666,-1.8511001118165868,-1.7765249972016708,-0.0036186626733107907,-0.0036239835653364416,-0.0036293044573656452,-1.8241410520951273,42.491285403050014,1.395253962151309,9.58959161006451,1.748654363706268,-8.919037549660358,-2.1243111623734476,-2.2680058951685287,-2.7237921312315825,-3.1583365372292764,0.006395132543905022,-0.003076350924392926,5.296822809768802E-5,1.0977800097187235E-4,-3.016568482994484E-4,4.959491617397866E-5,4.1727640531860796E-5,2.131242041231993E-6,-2.840779060438989E-4,31.058583227989164,-0.3723852044598185,-4.758637600538246,0.35711015031764887,-2.0262094100153774,-0.004751594002303462,-0.034782215851042374,-0.0704435792964222,-0.6516878209574535,49.58907823732611,-2.9925059544747192,-9.620527109625714,0.03349573460587462,-1.8846476647524715,0.05039586433582954,0.043715706239276626,0.035783018499624765,-0.8981298889455384,0.04348915647827746,0.0010336482276047246,0.007301868970199658,2.8991669870577323E-5,-0.0030114885044213685,-4.8085376069930563E-4,-6.707392980721515E-4,-8.962283737024066E-4,-0.0013329563430510701,0.220792466997382,-0.02032311173737267,-0.039756813804353176,-0.001998753157274073,-0.003951615170986153,8.370214789435935E-5,8.846687207551684E-5,9.412498204064135E-5,-0.0038162186918984263,1.2160825061307148,-0.12218241236539344,-0.20615478135560278,-0.01469127072870307,-0.01480437497668059,-3.174265502904202E-5,-3.4514129193680394E-5,-3.780525476422547E-5,-0.02096713852982905,0.8331624588833336,0.02790507924302618,0.10201693202196287,0.01387820923576403,-0.07432531291383632,-0.018634308441872346,-0.021600056144462178,-0.028372834700328985,-0.03630271881872731,-0.481045686429891,0.008282584877489394,0.017165867981344334,-0.047169757034503844,0.007755103718881612,0.006524906285426399,3.332600265280202E-4,-0.044420956734453246,-0.011989767908158635,-0.1532148960436125,0.0114979536476677,-0.06523830772130687,-1.5298811177006465E-4,-0.001119890614318092,-0.0022680873360939506,-0.020982535364657905,-0.06034606935327616,-0.19400495939011553,6.754659654202264E-4,-0.03800529737078036,0.0010162694312373032,8.815591616778924E-4,7.215907165761873E-4,-0.01811144552127425,0.023767953009643333,0.1679009105142541,6.666413473680149E-4,-0.06924688240218195,-0.011056865656603132,-0.015423138832485318,-0.02060808822884543,-0.03065031495188629,-0.09204621884864236,-0.18006417675846062,-0.009052632929264623,-0.017897418443324917,3.790987483977514E-4,4.006788514055863E-4,4.2630522372739016E-4,-0.017284188830335757,-0.10047214045874964,-0.16952367978019703,-0.0120808174236855,-0.0121738244749401,-2.6102386037966782E-5,-2.8381404238349044E-5,-3.108773835133341E-5,-0.017241542760566053,0.0334929628015485,0.12244542578009762,0.016657266644448478,-0.08920866767503259,-0.022365756213797047,-0.02592538335610102,-0.03405438446945434,-0.04357219703271667,1.540736812893813,1.0350694335676898,0.8396331000531119,0.899758737093938,0.7440014963912157,0.7907395765101648,0.8548983108078443,0.9560972265221407,1.237959300285626,1.2365486659162814,0.9374818556991787,1.039090441960532,0.9333949703047661,0.9406086795847072,0.949174959354637,0.9814765477503833,1.4447012728403283,1.3356796233619777,0.9880466987533892,1.0181431702738404,0.9719370825808397,0.9704680331806059,0.9687235370178283,0.9921976621381887,0.7286702587066578,0.7598602681368254,0.7394075156732135,1.012297642752049,0.7216520408568484,0.7733243382802236,0.8346851914704817,0.9118140290514174,1.5303985960954976,1.3442643122522662,0.998728010057477,0.9984991936172063,0.9715826704146675,0.9697400549947962,0.9675519491836992,0.9905942314025434,1.5448042499039594,1.3370698733903283,0.9977923565296876,0.9922845156162444,0.9671837621003021,0.9661354359530371,0.9648905486531606,0.9887177769244747,0.574627630938038,0.5431512838121265,0.7809724628180307,1.2290101776604225,0.7311440726563264,0.7854084797966682,0.8513796401927877,0.9248008536045275,227.62934085858097,114.06467042929049,182.30545248691593,228.0767092796336,12.00403733050703,114.06467042929049,0.4999999999999858,0.06238845608409188,0.0032836029517943096,-5.271312536809632,743.9768321307585,39.156675375303074,12.562818800004193,227.64155145865885,114.07004130842797,182.31160297001796,228.08760565283524,12.004610823833431,114.07004130842797,0.49853115819711036,0.06230727086977533,0.003279330045777649,-5.273786589975121,764.4255194969164,40.23292207878507,12.614336733944068,238.69164347113772,118.94682725751078,187.94826230506254,237.97765335250745,12.525139650131973,118.94682725751078,-0.7979889561161713,0.010651710477650234,5.606163409289597E-4,-8.629866103836235,180.2462378284529,9.486644096234363,9.86921541756777,227.65436735039583,114.07567847541678,182.31805852543906,228.09904225605064,12.005212750318455,114.07567847541678,0.496989600437729,0.062222063290075014,0.0032748454363197375,-5.2763866910322434,788.0883214398345,41.47833270735971,12.672259316582787,250.8572930476076,124.34635225946465,194.31836204455556,248.9205559430007,13.101081891736879,124.34635225946465,-2.1645885286783084,0.09086106439178959,0.004782161283778399,-4.557005037759423,156.65456802612988,8.244977264533151,9.602682037608785,228.91132028376234,114.62879432775932,182.9521324057297,229.22113935322852,12.064270492275185,114.62879432775932,0.34626837175632375,0.05387492048215331,0.002835522130639648,-5.550071392404391,374.4774905918349,19.709341610096573,11.258510222252061,243.5144714109476,121.82028817113944,195.95365782406836,244.2339465694319,12.854418240496418,121.82028817113944,1.0515406162463137,0.05983794773938461,0.0031493656704939268,-5.3506189592358595,152.58577008894275,8.030830004681198,9.552681043039296,0,11.996170260559415,15.998263392857096,-0.3496042410642074,0.26125021969585427,4.036737325019166,7.792456743655339,18.0,50.0,48.0,48.0,16.0,2.0,2.0,0.0,0.0,2.0,37.85662399999999,3.586132111557732,3.5348880093922364,3.4076079440610503,3.2719329538306514,3.0496136489443955,2.8582980816293775,2.657620657353005,2.4791580219842304,1.9416525699877558,1.8885466636355976,1.7802301169896593,1.6576111647059546,1.512507550973206,1.417264550744937,1.3068917880647681,1.1459530700676828,3.600646476200045,3.5117721435885976,3.4021555096586362,3.249426279637669,3.0453863280857623,2.862102210018112,2.664839773640768,2.4852832450829143,1.8886026798972606,1.8335893052221994,1.7342554237431786,1.6126223723297695,1.4805792476365889,1.3556236285883911,1.2215902521223154,1.0628186446232892,3.710854923893512,3.649050352483647,3.5490878500355354,3.415473053046315,3.237841368735924,3.0704550272002975,2.902780408054721,2.7330591386459875,1.7279837809732483,1.6512198271801088,1.5436575544691373,1.3939370112411757,1.2221540313404098,1.0669655704108423,0.9218950549358464,0.745974436052682,3.6175862652949307,3.5253843616923457,3.4149744745590507,3.2545296221309687,3.0562826235716107,2.874625895598862,2.6918471097130685,2.513521204957737,1.8563730404271448,1.8031453783407998,1.7115116233371803,1.590469445296475,1.4524528743176537,1.3101406029183582,1.1684432575767354,1.0121412305410082,3.761294068160223,3.6961126840264598,3.596758355983326,3.463162885422964,3.302629278099082,3.1493383912673747,2.9949222192541876,2.8264227084088507,1.6797941293863072,1.599553291296335,1.4930215680616579,1.343801735246094,1.162210315240127,0.9955346316413103,0.8292682800233477,0.6520761619324335,5.000384605160596,3.684330447621837,3.4921638771382746,3.42546981226536,3.3527582553722364,3.1774504781303423,3.017411024253757,2.7336669392139528,1.819503357159988,1.7681724436675008,1.6131011644073432,1.4689392283093916,1.275069080352305,1.0831887988183837,0.99447059618364,0.8578725460030692,0,0,1,2,0,1,12,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.49279927982674443,0.348461712529338,0.24639963991337221,0.10059223176554563,0.07112944921610614,0.050296115882772816,14.183951986987843,9.308060412490448,6.544735827700502,4.497400240710626,2.7146903780250455,1.7945759751233814,1.1805684937158858,0.7722879875616907,0.7465237887888339,0.5171144673605804,0.36359643487225013,0.2645529553359192,0.18097935853500305,0.12818399822309867,0.09081296105506814,0.06435733229680755,12.956478493545552,8.026986666968607,5.203314527886926,3.370373422216445,2.0885860764857647,1.3101867111082226,0.8018724144629473,0.49126620336335564,0.6819199207129237,0.4459437037204782,0.2890730293270514,0.19825726013037914,0.13923907176571765,0.09358476507915876,0.06168249342022672,0.04093885028027964,27.09884306940765,49.86671522214135,47.305882352941126,47.96000000000003,30.737350898203637,391.5038179640719,0.5313498641060324,0.9777787298459089,0.9275663206459044,0.9403921568627457,0.602693154866738,7.67654545027592,5.342890000000007,81.96400000000006,121.36294983353264,193.2172340652817,242.7258996670653,12.775047350898173,121.36294983353264,0.05550635985515795,0.0029213873607977867,-5.493389578339152,176.94778446367997,9.313041287562104,9.834123903441457,465,0.0,0.0,2.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,13.0,3.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,12.0,0.0,2.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.490992554175122,4.596145500952517,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5265583611964835,0.0,0.0,3.861072561572376,1.149423368788899,0.0,0.5265583611964835,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.706294692325227,0.0,14.373233919213801,0.0,4.673917413588229,0.0,0.0,0.0,0.0,-0.0777719126357117,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.881796962826977,4.609195591348145,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.609195591348145,-0.0777719126357117,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.26233550297606034,0.0,0.0,0.21777032044435424,0.30796889348025713,0.0,0.26233550297606034,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4552803983830225,0.0,0.5775424382716049,0.0,2.3337247784916437,0.0,0.0,0.0,0.0,-0.0777719126357117,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.881796962826977,4.609195591348145,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.881796962826977,2.340192635096585,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.26422285822042313,0.0,0.0,0.5194926697530864,0.5194926697530864,0.0,0.26422285822042313,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.251014293942205,0.0,1.3760262783614432,0.0,2.340192635096585,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.881796962826977,4.609195591348145,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,38.16666666666667,2.0087719298245617,0.5597050045913683,10.881796962826977,0.21777032044435424,-0.0777719126357117,9.848680771631889,1.7444385793023784,3.8817969628269764,11.83184852341111,1.7444385793023784,3.8817969628269764,11.83184852341111,9.16666,0.48246,0.0,0.01754,0.47909,0.7807,0.42881,0.47233,0.7807,0.05027,0.00676,-0.04351,0.0,0.61798,0.09631,0.0,0.14545,0.05455,0.0,12.25,0.64474,9.75,0.51316,2.5,0.13158,-7.25,-0.38158,0.0,0.0,21.02344,1.1065,26.38807,5.36463,0.28235,7.64003,0.40211,9.30805,1.66802,0.08779,0.10595,0.00558,0.10595,0.00558,0.0,18.02,2,2,2,2,0,0,0.8235294117647058,1.1334671399860885,2.0549561187675773,3.2715875378300106,4.00588184276187,4.326754940342267,4.498419401169002,57.80682413929051,104.80276205714644,166.85096442933053,204.29997398085536,220.66450195745563,229.4193894596191,0.19982054794081133,0.36227116178374613,0.5767528597728436,0.7062026560528681,0.7627698346821202,0.7930328087148594,4.538958201985407,3.6174692232039187,2.4008378041414855,1.6665434992096264,1.3456704016292287,1.1740059408024939,0.1988385451001157,0.3604908077929287,0.5739184518377596,0.7027320769682981,0.759021260513078,0.78913550946837,9.695851488445365,18.584075774389447,23.02590939118021,25.40607701447859,26.160526639335103,26.170831330944647,70.32168896808597,48.031564742227715,37.22996799533958,29.38907003432221,26.722298367677027,26.239976228135088,19.0,16.055555555555557,15.944636678200691,19,3,16,3.11,2.5353000000000008,0.058823529411764705,3.903406840244315,0.36514837167011066,0.0,23.267138275621512,2.3156360189017344,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.446,0.43,0.658,0.21600000000000003,8.786999999999999,18.0,17.0,15.0,14.0,13.0,12.0,11.0,10.0,9.0,156.0,3.044522437723423,3.1354942159291497,3.1354942159291497,3.044522437723423,3.044522437723423,3.044522437723423,3.044522437723423,2.995732273553991,2.9444389791664403,2.995732273553991,5.393627546352362,1.4038461538461537,0.47058823529411764,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,0.7777777777777778,16.0,0.8888888888888888,2,9.0,17.0,0.8888888888888888,1.5,0.666666666666667,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.08333333333333333,0.037037037037037056,0.014705882352941176,0.010666666666666668,0.007936507936507938,0.006279434850863422,0.005208333333333333,0.0044893378226711555,0.004000000000000001,0.0036730945821854912,0.1973530554629711,121.36294983353264,193.2172340652817,242.7258996670653,12.775047350898173,121.36294983353264,0.05550635985515795,0.0029213873607977867,-5.493389578339152,176.94778446367997,9.313041287562104,9.834123903441457,26.3,314.8957333400566,5.247927513443585,4.290459441148391,4.962844630259907,5.652489180268651,6.336825731146441,7.030857476116121,7.719129840906732,8.415160465851086,9.105313134108476,9.802506322682014,100.31558622248781,3.6109179126442243,0.0,4.6913478822291435,0.0,5.905361848054571,0.0,7.1770187659099,0.0,8.479906606630221,8.802973456578423,268.24023026400033,5.2596123581176535,36.65490221782944,1.9292053798857598,5.135499996297808,5.135499996297808,0.0,1110.0,17.0,7.374999999999999,72.0,1.2335648070322485,2.1382879372058845,2.8959302413594523,3.6701838865014853,4.995571809204202,6.028487343654389,7.3550249127668215,8.47416208955726,9.772811751703133,10.898161987470646,89.11633248914475,89.93949516109238,92.05628365705587,118.22955869130406,145.120827726248,176.87146820447202,209.6892471086405,244.9979494940817,272.4012387841505,290.0962134954396,296.1436912503152,349.3179685313026,379.5739004069437,505.82064588811534,630.5734406087208,768.5972251263838,911.0037672540576,1061.8864681604132,1186.1267340976513,1274.4781083725914,9.205618031894439,15.708806569717106,20.766932062775776,26.58222958122327,35.76796014035904,43.26819258628598,52.80662732187438,61.04067680231989,70.41870417080264,77.80160099528314,2.1486237810867697,2.780180907111252,3.144503435696699,4.180057853502274,5.316619673478506,6.469299368831691,7.6934748195880145,8.94112794821643,10.038167551988389,10.934686367470354,177.01066554017936,330.69271108219357,471.09858801695873,587.9563830339778,813.7030962029443,978.7571165085342,1201.565389768374,1380.0004885126573,1600.6219427103636,1791.4944893203103,2.923519955652821,4.586022547939688,5.293641701834996,7.046468758841794,8.818587407886158,10.879564432051218,13.336845385703164,15.583888783157562,18.417012890457045,19.463370727486936,0.46104437436387763,0.6084525525501554,0.6907684489439597,0.9184835871260287,1.1672577944795408,1.4233663941751191,1.7006942872038868,1.982525302252617,2.2374714158769953,2.426551653528245,739.724413127544,1006.7640894394094,27.732787085985997,170.7969715773843,-232.45448509952823,-24.052627388039014,568.9274415501598,1239.2185745389377,51.78541447402501,0.8124184951101017,1.1057006527811206,0.030458139206662703,0.18758150488989805,-0.25529821595003993,-0.026416323429716827,673.5348969409321,916.6802327875675,25.251295699258932,155.5142950640483,-211.65477965369362,-21.90043159514897,0.19190841787463644,0.23435093375233024,2.7339732084741786,5.339238819101824,838.064346241003,72.45703846392549,0.9204224747698742,0.07957752523012575,1280.3836072460365,35.78244831262999,10.858755014570546,1600.1009182168589,40.00126145781979,11.696316853228408,2224.2266810010155,47.161707782914476,13.053481220189811,4.456247082660935,4.456247082660935,11825.785591091453,11730.381898612339,139.66441849187686,1.0081330423257917,84.67285883397183,83.98976650802867,7.932241538154388,11.963068476774675,22.79008074119089,0.9050363863950107,12.759108919930865,14.29779637210315,7.404786843643625,60.46263530961702,30.041829222752394,0.8586412182302773,16.625618156843693,12.500111338231791,49.171448728965835,0.6388169608492695,2.1768939851184794,37.18089728880925,4.329772544332988,51.84866347034536,0.02381474503288896,1.2349121042547408,25.397023143933893,2.623100059870507,50.631582659415805,0.01156096237643495,2.6351668714373644,20.116991250127363,3.50393033179909,40.6763702251679,0.11249701425755149,2.9331210178393947,11.137267740166273,2.052167615603481,26.852845770951667,0.089574539435543,1.0783456389291457,14.546770096193331,0.6585503435561328,15.574140456645916,0.2691938157265098,0.12812488326826232,2.5813578089452514,0.15701397043167672,14.08788998819158,0.005118621075328435,0.18997723980856074,3.8625639768926434,0.13547685260564896,12.846609976789072,9.108278587195794E-4,0.28253850448850626,2.159012290885931,0.11532910157231856,10.562383403640306,9.305074545964717E-4,0.475108720683358,0.5243273682348799,0.13207424256243466,7.136316405679658,0.002766472875746054,1.2000801787936362,0.24986235652917757,0.0920061399636995,4.767311308999854,0.0066894269407178665,3.45931371902701,14.062329226382822,1.8603335403573247,18.18169032413088,2.2785015016147048,0.26588318803123606,5.2553148851574445,1.0721773187551311,18.276547879215073,0.04847654621619559,0.37131184654405025,9.519006839443374,0.5486632094028251,17.992887214725226,0.0036570289118411942,0.3569754590889943,4.770947611199372,0.4412782179657673,15.665467438044024,0.003029966723204638,0.5799341827921835,2.3767002439685716,0.532918097906612,11.732015324906847,0.013328610323253585,1.2142489023505907,1.170608111418537,0.34784148796383785,7.648264468258675,0.022139841141308396,12.045898791716974,14.55642949499518,7.487498199545349,56.15173473768232,26.93165854253974,0.8216149804315018,16.356684055584942,11.183965628362479,47.35727909784706,0.5696008427745975,1.9943272371150775,35.175960059212585,4.006356807582708,50.48144944510729,0.021730175947812257,1.1597248594619591,23.64808455067799,2.4038644572267844,48.475743066482,0.01088525307370117,2.481146896383626,18.230544843836505,3.1958282814601935,38.70332619103927,0.10159213177241798,2.8350586994886955,10.178004711334328,1.8811330775344084,25.528676398703514,0.08398097019240724,5.094918197173511,13.878970529255126,2.5960832575762858,21.881100288276016,4.827796627379369,0.36344000813749094,6.981132476349227,2.1761521904618646,21.80471517024253,0.10377362939840354,0.5633195038114107,13.74618141305482,0.9409923992415137,22.047416811659836,0.006114962970558481,0.44494563256862724,7.204178635819207,0.7202244190487385,19.94766279037803,0.004492095741843548,0.7441243833942858,4.269183615963783,0.8934268874706307,15.41738739064542,0.02409360095703111,1.328686569931789,2.146843806035431,0.5663029095141041,10.021264720832567,0.03318200637404776,15.408480145182958,14.467974859812545,9.377153919870139,81.27595086193523,43.78884498845247,1.0334702214578992,20.308190868748508,18.039546304132752,61.948845401688395,0.9296347165176208,2.9871525718793284,46.21402996087622,6.061802415397707,65.01977837290988,0.03230779018849845,1.623229112680762,33.83155068962456,3.5097873621011835,64.22761619952638,0.01409110512953916,3.6379421701067676,28.24190964389933,4.760149228586565,51.92487352591819,0.157627202153654,3.754509715027054,15.87485315051698,2.7433961518955154,34.466565760781684,0.11087475066863939,7.88593047555893,14.466138667171425,5.736545792483599,35.74204078427161,12.363502718976862,0.549954832715131,12.655036818829434,4.9099954482822525,36.22305693938915,0.2427124419888219,1.0464863136857625,24.29148331736644,2.4157960459456627,41.277490278762784,0.010816194399973634,0.8022777836280449,15.500247128892738,1.2974586737582943,35.720263258561296,0.006449961316556788,1.6012266907086539,8.964585573707952,1.5882205877798763,26.67593205645128,0.052168815079572384,2.5231508644979233,5.585424514743045,1.0521960747964905,17.94698686539851,0.04869641378440108,43.90633511915516,0.8573650744597572,0.43055954162536636,0.9715024734638842,0.01897066307717893,0.5490257998838495,0.6433789028461276,0.548951339856221,45.19425973524028,56.917196515507676,118.3193355602766,0.9572537101958263,1.7413560425861982,44.51821231877999,0.44018718422966013,0.08245463639229884,0.9883962719933247,0.009773064757326224,0.564281741260535,0.16550684999999293,0.020132493843706238,45.040854139401944,23.303375011342304,69.9600387782902,0.982594407989987,0.7499210851042342,42.725122930996406,0.5692225771057501,0.21952497492114348,0.9818736521648973,0.013081405326327596,0.5198610948630151,0.2830829153922145,0.1427037171218101,43.5138704830233,33.8242946938352,82.67703552528884,0.9728104782473459,0.9456477273770397,44.40849039269773,0.8507670117349924,0.4156493414966662,0.9722732580434983,0.018626573590340475,0.5616160533491035,0.6313625943703701,0.5115894818108397,45.67490674592939,56.59325920383814,117.97192954863206,0.9584098870652475,1.7045681295303134,42.325825830924074,0.6407387683923732,0.2852407175406474,0.97859096333322,0.014814150847540453,0.5102479133865794,0.3602314124979466,0.2409297632282315,43.251805316857094,39.37561123066199,90.363087049997,0.96788644499983,1.1114090891127575,44.23548805861658,0.8973855625971395,0.45670956419881864,0.9702981463706554,0.01968400454436002,0.5572787078595022,0.7043290076551108,0.617657367735826,45.589583185412536,60.30890338082556,124.02816111350664,0.9554472195559829,1.8792650832504392,44.33523211670698,0.8568819210639278,0.4178863019956985,0.9720506859556372,0.018787150069736493,0.5597409278276532,0.6387739456111104,0.517110890626564,45.610000339766614,56.875224281591,118.36074983387837,0.9580760289334559,1.7156257640653276 +UMLCN0156,L,butyl valerate,CCCCC(=O)OCCCC,Esters,,C9H18O2,Marquardt (2015),IQT,PubChem,,23.5,0,-1.0940999999999994,1.1970548099999987,38.996900000000004,29.44627399999997,0,0,29,11,18,0,9,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1828.602242999998,1804.2683979999995,2081.4899099999984,1881.5442409999966,1712.9772399999974,1472.3405469999977,1087.9712409999988,711.2936909999999,478.3487540000002,4803.941069429422,5938.065913142105,7415.338146484412,7215.134705020184,6248.0286435922735,5329.2947125656065,4622.625355082094,3954.8556249648914,3075.02132130453,215.5004280000001,211.00264000000004,387.554064,479.37001999999967,408.5535999999998,345.5288679999999,276.4774840000001,259.77399600000024,249.09716000000023,34.389540287281996,43.58411758000001,58.97875551018806,59.457604071772074,49.72715956498005,41.57641438158404,37.033151776792025,35.35015639618803,30.05967843697998,4840.569512851483,4103.796336707201,8283.05912123199,10904.841060649675,9056.583850906381,7583.141452526035,5918.174398231693,5911.15358148164,6095.657420645581,103.52777777777777,70.25,124.33333333333333,136.41666666666666,135.25,123.41666666666666,101.0,70.25,49.0,63.05524975862062,64.43815707142855,40.02865211538459,28.946834476923026,31.721800740740694,32.718678822222174,30.22142336111108,19.758158083333328,13.287465388888895,165.6531403251525,212.07378261221805,142.60265666316178,111.00207238492591,115.70423414059766,118.42877139034681,128.40625986339148,109.8571006934692,85.41725892512584,7.4310492413793146,7.535808571428573,7.452962769230769,7.374923384615379,7.565807407407403,7.678419288888886,7.679930111111115,7.21594433333334,6.9193655555555615,1.1858462168028274,1.5565756278571432,1.1342068367343858,0.914732370334955,0.9208733252774083,0.9239203195907564,1.0286986604664452,0.9819487887830007,0.8349910676938883,166.91619009832698,146.56415488240003,159.28959848523058,167.76678554845654,167.7145157575256,168.51425450057857,164.39373328421368,164.1987105967122,169.32381724015502,3.5699233716475094,2.5089285714285716,2.391025641025641,2.0987179487179484,2.5046296296296298,2.7425925925925925,2.8055555555555554,1.9513888888888888,1.3611111111111112,0.278590260071656,-0.1630453665010258,0.04494983668817885,-0.009823214787524057,-0.003981146873473175,0.014861280162586733,-0.019908459898877896,-0.013574715958428348,0.007865899565801335,965.1465850344831,-16.821337964329253,-96.53657978596974,122.45054409512522,-55.99532399524375,-105.36380595005949,-413.29875762901327,-299.1782046634954,73.50881802616013,1382.5799477402634,-151.471298038832,-450.14996096487096,152.0115135031387,-1.1973116753916173,86.13571220467588,-294.6374279843128,-367.07718247521166,28.58922710294584,2.0443009655172424,0.02884596432818175,0.8212893032104644,-0.23142188822829945,-0.5615220737217572,-0.7450783258026126,-0.818402577883469,-0.23443485374554196,0.2393008703923863,6.112430335451797,-1.0583106537872324,-2.32560246712431,0.243852498298736,-0.05020996018485763,0.8188752186574908,-0.24777044072905124,-1.1296986422879487,-0.0758960056179539,33.99018711358279,-6.409648323345033,-12.777204156024933,0.4260517078499235,-0.6220314705184593,4.8633984984697305,0.19127112289447168,-5.315003152852354,-0.6637200840357262,39.27394636015325,-0.18882943585678397,10.813383538115996,-3.870722684634688,-10.058957590170422,-8.341755846214816,-11.998117320650016,-6.2797265160523175,3.7288941736028507,0.009606560692126068,-0.005823048803608065,8.644199363111317E-4,-1.5112638134652396E-4,-7.37249421013551E-5,3.302506702797052E-4,-5.530127749688304E-4,-3.7707544328967633E-4,2.184972101611482E-4,33.280916725327,-0.6007620701546161,-1.8564726881917257,1.8838545245403882,-1.0369504443563657,-2.3414179100013217,-11.480521045250368,-8.310505685097095,2.041911611837781,47.67517061173322,-5.4096892156725715,-8.65673001855521,2.338638669279057,-0.022172438433178097,1.9141269378816863,-8.184372999564244,-10.196588402089212,0.7941451973040512,0.07049313674197387,0.0010302130117207768,0.0157940250617397,-0.0035603367419738377,-0.010398556920773282,-0.016557296128946946,-0.022733404941207472,-0.006512079270709499,0.006647246399788508,0.2107734598431654,-0.03779680906382973,-0.04472312436777519,0.0037515768969036307,-9.298140774973635E-4,0.018197227081277575,-0.006882512242473646,-0.03138051784133191,-0.0021082223782764972,1.1720754177097514,-0.2289160115480369,-0.24571546453894103,0.006554641659229593,-0.011519101305897395,0.10807552218821623,0.005313086747068658,-0.14763897646812094,-0.018436669000992396,1.3542740124190777,-0.00674390842345657,0.20794968342530762,-0.05954957976361058,-0.18627699241056336,-0.18537235213810704,-0.33328103668472264,-0.17443684766811993,0.1035803937111903,-0.6061533352285875,0.08998224900818518,-0.015731580342837302,-0.007674436717167997,0.03437761763691268,-0.057566156368751446,-0.039251867070255735,0.02274458228741921,-0.018051247659816777,-0.05578189758153319,0.05660464644313004,-0.03115750845790974,-0.07035316753217578,-0.34495807732704714,-0.24970783568508928,0.06135382714034054,-0.11346974003992774,-0.1815773264673902,0.04905359832531989,-4.650730799423986E-4,0.04014934636459602,-0.17166950625552682,-0.21387628552250537,0.016657416997446592,0.014614373247308698,0.22405053586352092,-0.050506147215518916,-0.14751162171765933,-0.23487812990293852,-0.3224910394386135,-0.09237891192933678,0.0942963628376963,-0.17932432808169485,-0.21218574862818715,0.017799095292619596,-0.00441143812977796,0.08633547646282395,-0.03265359997219223,-0.14888268126680593,-0.01000231423750033,-0.19530826096100656,-0.20964134289163047,0.005592337796860749,-0.009827952307374425,0.09220867578589526,0.004533058766346699,-0.12596371721250596,-0.015729934031905434,-0.004979722243514246,0.15355067107420647,-0.043971588627946784,-0.13754749090830243,-0.13687950181291958,-0.24609571890802068,-0.12880469245402662,0.07648407394761225,1.625976382371434,0.9418894949957279,1.1380209148135052,1.4696673199235477,1.6962566884313632,1.4878252950379092,0.4945188671247295,0.12727588081242058,1.15365926198684,1.0842970680430126,0.9094878280621527,1.0854047933726836,1.1746742511697728,1.4625380274974396,1.149718783349738,0.6829399495700039,1.5028568410760834,1.2801222959217187,0.8710353322237657,0.9109020771809238,0.8508149877055045,1.1473142313800846,1.210235280530757,0.8865264517937206,0.7093573913335649,0.710265281136147,1.1153965660560878,1.6166437457677243,1.9680962077713415,1.9409158872154122,0.7248590227149218,0.06316117177578823,1.6667600290757283,1.3423906140205544,0.890256544530075,0.9024055836025422,0.789343876025611,1.0177098506524347,1.1560537071399115,0.896439027635168,1.6928618720900532,1.3445724014405205,0.9030409762626546,0.9202047006071067,0.8031755469490062,1.0018581964479916,1.1258789837819858,0.8756733911298441,0.5771425784108092,0.5069039784175631,0.9615560967007237,1.611818393682693,1.8780709884070697,2.263422109490594,1.1486268962489634,0.06931369201502366,68.26304688206267,34.381523441031334,52.929362096624146,68.67213779115357,6.242921617377599,34.38152344103134,0.4999999999999929,1.6393982858797784E-5,1.4903620780725257E-6,-12.120455808242944,82.39723961913329,7.490658147193935,4.852707130245147,68.28052773257534,34.389529445386344,52.94304089707776,68.68841686200953,6.244401532909958,34.38952944538635,0.49853115819735905,1.595557849953244E-4,1.450507136321131E-5,-9.617428642470417,82.27465189098533,7.479513808271393,4.851069370155842,83.82765400099575,41.51483252243988,65.4559470801419,83.17475394599177,7.561341267817433,41.51483252243988,-0.7979889561159794,0.08718761402854103,0.007926146729867366,-2.6836622990243812,53.07050798042335,4.824591634583941,4.368783505556975,68.2988743624621,34.397931981449986,52.95739841710767,68.70550221736582,6.245954747033256,34.39793198144999,0.496989600437864,3.096598775415571E-4,2.8150897958323373E-5,-8.888039635240292,82.14681627604749,7.46789238873159,4.849358897596105,100.40154878830775,49.1184801298147,79.23318534792521,98.63052181029819,8.966411073663473,49.1184801298147,-2.164588528678351,0.131660236487802,0.011969112407982001,-2.2302837048175026,48.32812987465021,4.393466352240928,4.265815169210203,70.0944965724382,35.22038247209741,54.368558010761774,70.3778070584209,6.397982459856445,35.22038247209741,0.3462683717566222,0.01429397764506729,0.0012994525131879355,-4.6727086715361565,72.68781291989306,6.6079829927175515,4.714791108799689,67.68225807335793,34.06157959927548,52.268322286007006,68.3714834246801,6.215589402243644,34.06157959927549,1.1756613756613987,0.06548008888784079,0.005952735353440072,-2.9986100858992906,138.05952140556684,12.550865582324258,5.4204533973710145,0,11.89,15.99591916181647,-0.3156555119290424,0.26148574940279334,4.232603676111702,7.055846352225242,10.0,28.0,27.0,27.0,9.0,1.0,1.0,0.0,0.0,1.0,22.551725999999995,3.5653119912118045,3.3380890082499897,3.117816291876415,2.7189401820477843,2.4162541391451287,1.9547857488869327,1.7171483391474591,1.3321294049980694,1.8503860680704118,1.8071421551935158,1.4899644787678084,1.371381984982127,1.0017218505040963,0.8810429386557206,0.6258893686054474,0.5780604839178306,3.492354636185488,3.36213187578967,3.0570758564597846,2.733182676044818,2.3795414573553346,1.9623789851216997,1.7302745088273057,1.3828307750820794,1.8196268344068993,1.7423890108586038,1.4767214340150168,1.2888467707088647,0.9724734964903061,0.7667724095290679,0.5602368915548708,0.4302157773981763,3.6607737161034484,3.5117890428916616,3.2726340311612887,2.9660022219900926,2.6687740738829846,2.3129913919120346,2.1199751471736112,1.8424735701258672,1.6176477723835931,1.5337141350031644,1.2088746414137508,0.9849728489283748,0.6167026502471293,0.3421948460956077,0.1046740823508902,0.09123532990304228,3.491058620313556,3.3839904080387075,3.048607345868196,2.7610964901641504,2.3834556675303378,2.0058645936334054,1.7623442753080185,1.456184653131676,1.8097216022309996,1.7008064054105716,1.4689450151363672,1.2355237614977808,0.949573004855649,0.6931596480396316,0.5130572140612982,0.331822599271112,3.6907754084519286,3.5790859386775473,3.3158457247447863,3.0590625149458623,2.74602963363168,2.4468825951492676,2.2493919627375405,2.0278544472019973,1.575976172751177,1.470063248930251,1.163072278364848,0.8937373462189085,0.5422098836413358,0.20632009598658482,0.01758224095440494,0.2769619228595877,4.994948775137874,3.5099532129273583,3.410479126698418,3.1341022131064813,2.832311432127024,2.4426677776248886,2.088124767670688,1.7877307316215854,1.6861773746807303,1.640021680125415,1.1920794112049062,1.0826204052672042,0.6244284407230891,0.5216784368914419,0.20352187112576992,0.1661332309307705,0,0,1,0,0,3,5,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4505237851453038,0.08333333333333333,0.08838834764831845,0.09196278254943947,8.52709773749546,5.3080604124904465,3.7431821564919865,2.3509536313038994,1.4397227048854206,0.9433230649720482,0.49279927982674443,0.19536860360538935,0.7751907034086781,0.5308060412490446,0.37431821564919865,0.2612170701448777,0.17996533811067758,0.13476043785314976,0.09855985596534889,0.06512286786846312,7.559137268047012,4.464690378025045,2.677576961644032,1.4953948993433328,0.7236248475042262,0.3990622424194978,0.20369363881410849,0.09768430180269468,0.6871942970951829,0.4464690378025045,0.2677576961644032,0.16615498881592586,0.09045310593802827,0.05700889177421397,0.0407387277628217,0.03256143393423156,15.30604844290658,28.651857246904584,27.227450980392167,27.63999999999999,17.147469461077844,223.56333772455093,0.5277947738933303,0.9879950774794684,0.938877620013523,0.9531034482758617,0.5912920503819946,7.709080611191411,2.5199000000000016,45.39200000000002,37.94961107145623,58.497416120471385,75.89922214291246,6.899929285719315,37.94961107145623,0.03495650072980944,0.0031778637027099488,-3.689015909419957,61.84824808573428,5.622568007794025,4.53715215054958,133,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.800096371882086,-0.041388888888888475,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.9713435374149664,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.151986174099269,0.0,5.2559730095742,0.0,0.0,0.0,0.0,0.0,0.0,-0.041388888888888475,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.85454081632653,4.945555555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.945555555555556,-0.041388888888888475,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.27245464852607715,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.068772754472159,0.0,0.5835459183673468,0.0,0.0,0.0,0.0,0.0,0.0,-0.041388888888888475,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.85454081632653,4.945555555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.85454081632653,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.08321341962711,0.0,1.0843827160493826,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.85454081632653,4.945555555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,25.166666666666664,2.2878787878787876,0.5559027777777779,10.85454081632653,0.13527777777777783,-0.041388888888888475,4.332872851158982,1.7080555555555552,3.854540816326531,10.90416509196271,1.7080555555555552,3.854540816326531,10.90416509196271,5.16666,0.4697,0.0,0.0303,0.5046,0.83939,0.42571,0.5046,0.83939,0.07888,0.0,-0.07888,0.0,0.55957,0.15472,0.0,0.25806,0.09677,0.0,7.25,0.65909,5.75,0.52273,1.5,0.13636,-4.25,-0.38636,0.0,0.0,9.75388,0.88672,13.02591,3.27203,0.29746,4.25049,0.38641,5.30805,1.05757,0.09614,0.10595,0.00963,0.10595,0.00963,0.0,10.02,2,2,2,2,0,0,0.8888888888888888,1.2170163386123158,1.92492409768062,3.219712891530092,3.702471512219747,3.7714370294611266,3.4955749604956092,35.29347381975716,55.82279883273797,93.37167385437266,107.37167385437267,109.37167385437267,101.37167385437267,0.25051895835594074,0.39623952823431546,0.6627677001534957,0.7621420330654296,0.776338366338563,0.7195530332460294,3.6409646565152567,2.933056897446953,1.6382681035974809,1.1555094829078256,1.0865439656664462,1.3624060346319635,0.25051895835594074,0.39623952823431546,0.6627677001534957,0.7621420330654296,0.776338366338563,0.7195530332460294,10.972693845954133,19.743098307877226,23.322261962299397,24.56687921692009,23.87830335926492,21.326039563954573,40.233818852729065,26.036524662195525,22.077707275510615,19.43581031873014,20.10587666288567,24.5987119294505,11.0,8.1,7.901234567901234,11,3,5,2.23,1.451100000000001,0.1111111111111111,3.3762362208702106,0.447213595499958,0.0,5.29643695220767,2.6207413942088964,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,4.855,10.0,9.0,8.0,7.0,5.0,3.0,2.0,1.0,0.0,66.0,2.4849066497880004,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,1.9459101490553132,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,4.343805421853684,1.1515151515151516,0.4444444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.7,9.0,0.9,0,5.0,9.0,0.8,1.5,0.666666666666667,0.375,0.2400000000000001,0.11111111111111112,0.04081632653061225,0.03125,0.02469135802469135,0.0,0.0,0.15,0.0666666666666667,0.041666666666666664,0.030000000000000013,0.015873015873015876,0.00816326530612245,0.010416666666666666,0.012345679012345675,0.0,0.0,0.33513196019148406,37.94961107145623,58.497416120471385,75.89922214291246,6.899929285719315,37.94961107145623,0.03495650072980944,0.0031778637027099488,-3.689015909419957,61.84824808573428,5.622568007794025,4.53715215054958,26.3,179.16431503392232,4.459431618637298,3.713572066704308,4.3694478524670215,5.0689042022202315,5.752572638825633,6.46302945692067,7.1569563646156364,7.872073979866873,8.57035473953047,9.287579152316985,79.25449045346782,3.044522437723423,0.0,4.110873864173311,0.0,5.332718793265369,0.0,6.6293632534374485,0.0,7.969357742016346,8.279950715722526,158.130679816,5.45278206262069,20.65118809200679,1.877380735636981,5.422739310847175,5.422739310847175,0.0,200.0,9.0,2.9819999999999998,40.0,1.23675,2.1261232687302742,2.8545194201032253,3.6373010883911006,4.895175610360852,5.891551803153902,7.075289415416145,8.038302122602417,9.332679827157937,10.436739507233474,90.61417592324997,93.81604011588485,95.18979490473255,140.0435778239594,180.02407520234078,201.76218266282922,157.16238915025093,122.28855471214462,107.89628104473944,52.20974461024892,285.82121069597946,323.0811276132439,345.0118021084847,480.3145328292602,626.7679263677716,824.4595443584406,831.2893594091183,742.149081651952,754.4061191695614,638.216877115196,9.374724548999998,15.941198454457671,21.131498425896257,27.704505801167723,37.76312923968581,45.32462397730625,51.14576703826073,55.79149621960483,64.49240663602394,71.61624285472186,2.046067118804999,2.52191778229709,2.762854475423042,3.6969820086673484,4.783357051926889,6.4897079603994365,7.295346355552131,7.085400903048342,7.5415910938576305,7.14964678094423,179.39414609831744,335.51185570269774,475.390928473983,598.3428774557234,818.035215391872,955.549151893899,1151.1933087784378,1348.066330938569,1586.0792537717518,1810.6655621939822,3.1880833333333327,5.309870480286752,6.129888246381227,9.337698455402345,13.689078328302035,16.553860617103407,13.961750907794126,11.271244467755057,13.09169742738535,14.188002629517875,0.4532906250000001,0.5804376015842795,0.652129271993107,0.897330225501746,1.176658461806581,1.5218775019919097,1.61037973731302,1.5335875746489238,1.6445001525917295,1.5848959311670416,472.83139098952756,423.11474227991664,14.555826108734525,207.99824734086914,-186.12792317812793,-21.778533933977815,264.8331436486584,609.2426654580446,36.33436004271234,0.6944929603080371,0.6214693345570615,0.02137954238365691,0.3055070396919627,-0.27338399020725757,-0.03198822834356251,321.91762491865853,288.0690569586947,9.910037825209875,141.61137151044036,-126.72140662055271,-14.827471381636391,0.29217005948873087,0.35269399818481895,1.6539037861905574,3.7364887655565324,633.219513432329,47.61012489806774,0.9300704284630991,0.06992957153690073,772.2292980677146,27.78901398156679,9.174493377595718,946.595947539892,30.76679943607869,9.818720109572396,1333.763889908879,36.52073232985449,11.007608757556644,3.0678023440795545,3.0678023440795545,1828.2889871010686,1759.5312631554173,95.47481945685513,1.0390772959738983,19.14943644305364,18.42927038946165,5.178058375793934,6.647301182465752,12.207599923088113,0.8364746215034327,5.033436019418489,7.138580303780901,4.133107598193654,25.345693622670595,8.07510896983936,1.733430147599641,7.843525847247385,13.767381209744936,11.045539730337145,2.5633178388268836,6.942949711925499,6.43403070076149,5.284277820485488,1.4932739529190782,3.7734556823358365,10.184262457314208,6.281612401425095,2.3198839080014624,0.014428476870573817,2.954823874998464,0.4359207198237925,3.9483978010108185,1.2550254241951482,3.8719356680907556E-4,1.0758989045561102E-27,5.766487188328637E-73,5.961109541025402E-140,1.1885536177978028E-228,0.0,0.0,0.43892892654410154,7.2894191193539735,0.352860653825591,6.4984419420683945,0.13587220443702486,1.6891427596093893,1.0412634580533822,0.8201409775667751,3.891872399924643,0.2698640980757846,4.8619055394867905,1.0004836579875218,0.7668367928034799,0.013676665190264645,0.03673870100185723,2.427144525893257,0.2817140847130378,0.3927281196831331,7.196569631866618E-4,0.026353344127415367,0.432586296674927,0.3187090529441241,0.00883924672770604,2.7270359500287437E-6,7.57764395596948E-30,4.0613840765868244E-75,4.198458190926374E-142,8.37108031257548E-231,0.0,0.0,1.3694986432010432,7.008345289944234,0.8891417951483882,7.780615410891551,0.6884347430793313,1.5166021061124737,1.8491700282660957,2.1982104323024423,3.2584975095962148,0.542645978718882,4.840221758176126,1.031067713203837,1.2319282615129366,0.1176039732809542,0.3030582625111416,3.4672459484324407,1.0711467548384643,0.601151351732455,0.002625759521413119,0.23110644632596766,0.43301361704501684,1.0371688417479232,0.09211176562410654,2.8417817155068657E-5,7.896489241540145E-29,4.232275342161706E-74,4.375117137773283E-141,8.723311099388242E-230,0.0,0.0,4.756268111970788,7.289130298092944,4.377767332628188,25.074627035169595,7.460063054356885,1.8155114198344235,8.31555816585742,13.494021058840339,11.982026627219824,3.0327426878593444,7.313607747289803,6.339541928908175,5.537277955666341,1.3326163721551427,3.3690781660201834,9.517178641351911,5.760317230184035,2.1364755044260355,0.013273616138899153,2.636511029616229,0.43562697738560757,3.7182533657288475,1.1182050580871274,3.4498249717106487E-4,9.5860655396788E-28,5.137836267603858E-73,5.311241279964885E-140,1.0589798752823147E-228,0.0,0.0,2.0108072810031423,6.901554588758888,1.1854083082478255,9.092216427524551,1.3217815645250357,1.4597518771324667,2.33251490474037,3.274718875127264,3.2326850365405817,0.6157696756398403,4.889547614852233,1.3136740540851064,1.5116406762895784,0.2477638462498243,0.6332768655529836,4.342557526966487,1.7423095406220603,0.7991429539130877,0.004199139898164394,0.48835588572081656,0.4333821710207055,1.5370309928173507,0.20007906340306728,6.172729623788176E-5,1.71522298138531E-28,9.193067587856639E-74,9.503339055392424E-141,1.894819737451573E-229,0.0,0.0,6.078625980434652,7.234110693663994,5.536541179922937,33.872747224062884,11.766639383932018,1.860618842416729,10.488764773965425,19.11524527095631,15.143488175046995,3.5923471476245137,7.847767889878175,9.168483946750541,7.268401431346909,2.1676846215742325,5.470085094674619,12.872400662773064,8.386572975891406,3.07325273787403,0.019062765297874346,4.291255707606767,0.4371100629203433,4.80953148067406,1.8303366317700513,5.646854281306239E-4,1.5690974376237904E-27,8.40987962064144E-73,8.69371803113485E-140,1.7333937494196578E-228,0.0,0.0,3.2086755235897457,7.207855791588653,3.5122873796499,22.373421118583977,4.676434645393081,1.7967535787444606,7.274345555903105,12.133357261134707,19.04598043304684,3.0096895584628394,7.470338390705371,7.495168012177043,6.9738803454637335,0.5709079129972855,1.4457791743482118,6.439875239978424,2.9468946480690024,1.2639269789535004,0.007883205449652937,1.1325349250800378,0.653259665271959,2.911564031764208,0.4725793051082159,1.4579757758461574E-4,4.05129287924279E-28,2.1713683679192027E-73,2.24465333440471E-140,4.475493736439041E-229,0.0,0.0,14.95196900112566,0.8095612109421942,0.45706304482758625,0.9219029520188956,0.049915624500787334,0.5996541581641908,0.5533271329610502,0.5517080751577166,16.21859325689544,19.308547120391164,41.059675603202166,0.8828544280283434,1.7046893662829574,11.044149210433792,0.5332619689759648,0.08443366084895819,0.94703276897558,0.04572706773932129,0.32705869228322876,0.23982496365893005,0.018827313883075684,11.661844840258716,6.8669479626514915,19.02605849515284,0.9205491534633701,0.5857109698252345,13.319869160331994,0.5805804775266536,0.23460772824994544,0.9423286241673724,0.04107379704865594,0.4759057891201301,0.2845730275554208,0.14535894159172225,14.135057366108594,10.994408908888891,26.9437478965927,0.9134929362510585,0.9058377582672732,14.526624436298082,0.813812672327376,0.4366724491420729,0.9207405439576352,0.051581861008673305,0.565978652541335,0.5591444877890482,0.5035802714853493,15.777109557767531,18.52069729553332,39.46012717299003,0.8811108159364527,1.6287034118157324,14.23518594707813,0.6226531762005401,0.30863745495108413,0.9385954525200391,0.04105457012305074,0.5436161861125957,0.32724715529064735,0.2515674119430561,15.166476578229753,13.449269396834868,31.3513799034825,0.9078931787800587,1.1224307533462992,15.054011990625945,0.843959148707162,0.48277662633782803,0.919006397386484,0.051521405541439545,0.6078495792708213,0.6013513050695791,0.615530524613635,16.380747765670936,20.380140016499475,42.89455088890416,0.878509596079726,1.8247314089540354,14.631989742194271,0.8244828213892408,0.43974919341421115,0.9204696541021189,0.05186659031265041,0.5742010218897591,0.5738799493559873,0.5107016097949894,15.896221756997724,18.860795528047497,40.062074239970194,0.8807044811531785,1.6587825810407355 +UMLCN0157,L,acetal,CC(OCC)OCC,Ethers,,C6H14O2,Marquardt (2015),IQT,PubChem,,54.1,0,0.8705,0.7577702500000001,31.675,21.499101999999986,0,0,22,8,14,0,6,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1391.7456239999985,1370.9475509999995,1590.5900869999984,1242.7918539999982,1103.6201489999992,597.2927540000002,287.68840900000055,84.835296,9.144576,3409.0553864577187,4087.7813427385368,4714.658190446593,4438.366043341626,4393.658304294555,3734.4088489365067,2254.7254429349828,1061.4246313942745,279.75369987837234,166.00502400000002,162.40393200000005,298.94524400000006,307.36660000000006,235.56522000000018,306.7225040000001,226.52304400000014,123.32735999999997,60.46617599999999,24.24438866788598,29.313680340000012,35.26733420933902,33.601955264734976,35.006701143396015,34.606149163282005,23.70582700667798,12.016620718188005,4.001516143641,3720.5158364844865,3137.4720499106006,6341.32881206674,6728.575468184935,4923.683298813797,7143.172872199783,5726.208177752479,3137.747110568388,1664.258868218241,56.77777777777778,53.83333333333333,99.25,87.16666666666667,71.25,75.0,43.0,24.0,9.0,63.261164727272664,65.28321671428569,41.85763386842101,31.86645779487175,35.60064996774191,14.221256047619052,8.717830575757592,4.713072,1.016064,154.9570630208054,194.6562544161208,124.0699523801735,113.80425752158015,141.73091304175983,88.91449640325015,68.3250134222722,58.96803507745969,31.08374443093026,7.54568290909091,7.733520571428574,7.86698010526316,7.881194871794873,7.598878064516135,7.302916761904764,6.864334666666671,6.851519999999998,6.718463999999999,1.10201766672209,1.3958895400000007,0.9280877423510269,0.8615885965316661,1.1292484239805165,0.8239559324590954,0.718358394141757,0.6675900398993336,0.444612904849,169.1143562038403,149.40343094812383,166.8770740017563,172.52757610730603,158.82849351012248,170.0755445761853,173.5214599318933,174.319283920466,184.917652024249,2.580808080808081,2.5634920634920633,2.611842105263158,2.235042735042735,2.2983870967741935,1.7857142857142858,1.303030303030303,1.3333333333333333,1.0,0.3084290267260753,-0.13110816737479095,0.0559194983650609,-0.09219295646118454,-0.00543440664250187,-0.0230481469237665,0.025051524358905654,0.010821594960897293,0.005776546354342386,756.9471250909094,8.874414867769076,8.944966206611895,-127.25572047933846,-357.46103526446234,-310.88589935537163,173.27255445454483,54.66525619834675,171.37190082644597,984.5731867127781,-219.98664721842653,-161.75499769153186,308.37582717765764,-489.4520940539455,-279.01065041174036,138.45223676146406,-6.9908282790203415,218.08056035915368,1.975697454545453,0.027826611570250147,0.32385676033058447,-1.2307109421487539,-0.4442635041322293,-0.45591623140496024,0.40111381818181,0.21749117355371445,0.17275358677685668,4.276936093049454,-1.7597950374016542,-1.0940599851802397,2.354513797830326,-1.8646558039061358,-0.5224136764567799,0.2619577292126322,-0.24963067679028317,0.7356156061674022,23.906329579285817,-10.924615675681887,-6.4436667421066876,13.931609161156793,-9.738011021502874,-1.744426735353455,0.9690831692217567,-1.6423750718654666,3.639238126488915,12.151515151515143,-2.316345270890724,4.473140495867773,-7.480716253443533,-1.1705693296602382,-5.0165289256198315,3.1212121212121167,0.6942148760330562,1.6198347107438003,0.014019501214821605,-0.006243246065466236,0.0014715657464489712,-0.0023639219605431933,-1.753034400807055E-4,-5.487654029468214E-4,7.591371017850198E-4,6.011997200498496E-4,6.418384838158207E-4,34.40668750413224,0.42259118417947983,0.2353938475424183,-3.2629671917779093,-11.531001137563301,-7.402045222746944,5.25068346831954,3.0369586776859308,19.041322314049552,44.75332666876264,-10.475554629448883,-4.256710465566628,7.907072491734811,-15.788777227546628,-6.643110724089056,4.195522326104972,-0.3883793488344634,24.231173373239297,0.08980442975206605,0.0013250767414404831,0.008522546324489065,-0.03155669082432702,-0.01433108077845901,-0.010855148366784768,0.012154964187327576,0.012082842975206358,0.019194842975206298,0.19440618604770246,-0.08379976368579306,-0.028791052241585256,0.06037214866231606,-0.060150187222778574,-0.01243842086801857,0.0079381130064434,-0.013868370932793509,0.08173506735193357,1.0866513445129917,-0.5202197940800899,-0.16957017742386019,0.35722074772196905,-0.3141293877904153,-0.04153396988936798,0.02936615664308354,-0.09124305954808148,0.4043597918321017,0.5523415977961429,-0.11030215575670115,0.11771422357546772,-0.1918132372677829,-0.03776030095678188,-0.11944116489571027,0.09458218549127627,0.03856749311294757,0.17998163452708893,-0.4453258336227962,0.10496562779945495,-0.16861669501080562,-0.012504256563377043,-0.03914300477157199,0.05414865266265321,0.042883103388461005,0.045781834459079074,0.012282239728213493,0.006841514386240974,-0.09483526106330424,-0.3351383691376401,-0.21513391028584075,0.1526064799957547,0.08826652310895061,0.5534192244389318,-0.2340732054844252,-0.0951149508297395,0.17668122305763398,-0.35279561102587337,-0.148438366900798,0.09374771974288569,-0.008678223000247894,0.5414384846200139,0.014755137860112054,0.09490117968588285,-0.35139347704171603,-0.15958100082617926,-0.12087542225649546,0.13534927197784402,0.13454618005553762,0.2137404917352053,-0.4310550265372249,-0.14809740794215595,0.3105464383088212,-0.3094046976880623,-0.06398161046668797,0.04083261529803164,-0.07133708661611496,0.4204344985806049,-0.4787366221069175,-0.15604837584759723,0.32873538465280777,-0.2890801998052096,-0.03822198361884179,0.027024451579034,-0.08396718966834224,0.3721154847632614,-0.1996991647864466,0.2131185194907472,-0.34727284353219573,-0.06836403614619367,-0.2162451015318846,0.17123857024106387,0.06982543640897744,0.32585203657522854,1.4845586328116165,1.4451739425356407,1.9207648971104772,1.129032282282712,0.7688451118955595,0.04251973878082702,0.07239894873045807,0.0,1.1616007536780062,1.1341497344238312,1.2288612220333506,1.391588490670432,1.0850944937552345,0.5088995200161438,0.5597894720177581,0.0,1.6705606707513023,1.0637190449989944,0.662028476640014,1.5325877263745793,1.0417514490699151,0.7275380916051519,0.8002919007656671,0.0,0.9186325547084133,1.4540889258444867,2.0884049317366684,1.1292952128303835,0.9043034376996998,0.03819410701086362,0.042013517711949985,0.0,1.9995197047346005,1.1120840806921921,0.48878767003417056,1.5597832602507107,0.9476687166909777,0.7487273642830374,0.8236001007113412,0.0,2.065827745758801,1.1416683093527502,0.49466850523326034,1.5517571191995556,0.9147463366529384,0.7276199440332144,0.8003819384365358,0.0,1.17040731504572,1.2140208688804313,1.8906579704584705,1.04991553374628,1.0492518703241902,0.1440149625935163,0.28802992518703263,0.0,31.869036667437747,16.184518333718877,24.014787989762233,32.244036667437754,4.030504583429719,16.18451866444421,0.5000000000000053,1.1102230246251565E-16,1.3877787807814457E-17,-29.38944045574168,3000011.091625059,375001.3864531324,11.931301235067123,31.890151303719897,16.194341230958642,24.03122552812639,32.26404967236794,4.033006209045992,16.194341558301687,0.49853115819738925,4.440892098500626E-16,5.551115123125783E-17,-28.280404966845772,3000011.0900324285,375001.38625405356,11.931301234642422,50.67548798464661,24.93874951426528,38.69231166427994,50.076996267559565,6.259624533444946,24.938749514304725,-0.7979889561160469,4.440892098500626E-16,5.551115123125783E-17,-28.280404966845772,3000010.424646739,375001.30308084236,11.931301057206875,31.91231184188444,16.20465072116116,24.04847750758271,32.28505404221285,4.035631755276606,16.20465104499171,0.4969896004378782,4.440892098500626E-16,5.551115123125783E-17,-28.280404966845772,3000011.0883651245,375001.38604564057,11.93130123419781,70.63409667898779,34.23475407515474,54.288294471621256,69.01065528247905,8.626331910309881,34.23475407515474,-2.1645885286783013,2.7755575615628914E-16,3.469446951953614E-17,-28.656407870242358,3000010.219331526,375001.2774164408,11.93130100245634,34.08183527893284,17.21405182534472,25.73840563881363,34.34153655775029,4.292692069718786,17.21405193819305,0.34626837175659375,2.220446049250313E-16,2.7755575615628914E-17,-28.834922711293725,3000010.943726546,375001.36796581827,11.931301195627663,28.028419426092878,14.436498072834798,20.92628124996813,28.661851965775416,3.582731495721927,14.436500127330847,0.8445767195767182,2.220446049250313E-16,2.7755575615628914E-17,-28.834922711293725,3000011.201536865,375001.4001921081,11.931301264376827,0,11.89,15.995917654969277,-0.3539299903110913,0.1548243696289601,4.739466963134631,6.696756337153072,7.0,21.0,21.0,21.0,7.0,0.0,0.0,0.0,0.0,0.0,19.136898,3.4581748303796767,3.11282540690742,2.862288912526648,2.1444358413221525,1.9752563765106261,1.5187225392000883,0.8970442632219822,0.47503226575923474,1.7275020857170682,1.6325889737953516,1.5150410204651354,0.9185124872285543,0.8526619583662846,0.6298775402612685,0.08392307051869105,0.08392307051869105,3.3371598918170586,3.0956084807192408,2.9071346410776053,2.097491975803944,1.9220694599998447,1.6037674505133142,0.5716064908770644,0.40359478917094166,1.738664324308155,1.5744978614906024,1.4283782713823732,0.8672566362859323,0.758159661902819,0.5163948044177908,0.2709139018929368,0.27091390189293696,3.571555394881172,3.3100387887763096,3.1118916792653186,2.4743988679224183,2.31718052187848,1.99652276043248,1.1985534987649904,1.053709830732925,1.4728916608538445,1.3030117273840258,1.148681880212506,0.42915508957271137,0.3042614462018126,0.05101341315606738,0.9439184268026211,0.9439184268026217,3.3171453702708025,3.1117069900946337,2.940618426065633,2.1101887369823493,1.9509627283013802,1.6669263745348744,0.453507526450536,0.42260615734431906,1.747548330310711,1.5381482493040255,1.3711884335558207,0.8279884146034535,0.6992349835664805,0.433411383733985,0.3992772455089812,0.39927724550898164,3.5957846838090113,3.380717929589163,3.2073228200228825,2.5789519312406584,2.4383004711124623,2.1607284511865283,1.208805609466569,1.20814228988571,1.4366220793366982,1.23036533266989,1.0590676479925336,0.3216753012373229,0.17278295837892535,0.10640021746532256,1.207644822962087,1.2076448229620875,3.696303248697922,3.3193106480469696,3.034601420935057,2.517246617645482,2.3926403319926806,1.7584810081002749,1.4054831028317327,0.9632390050775552,1.5173029948728973,1.395529965956519,1.2636356431558555,0.5586227138810497,0.49609766530195964,0.3077293033851954,0.5806451612903223,0.5806451612903225,0,0,0,0,0,6,0,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.09622504486493763,0.0,0.0,0.0,0.4082482904638631,0.5525858577612696,0.2886751345948129,0.13608276348795434,0.18419528592042317,0.09622504486493763,6.405777393935816,3.808060412490447,2.682521984712165,1.5629488288431148,1.1299361269508954,0.2886751345948129,0.14433756729740646,0.0,0.800722174241977,0.5440086303557782,0.38321742638745215,0.2604914714738525,0.22598722539017907,0.14433756729740646,0.14433756729740646,0.0,5.8080604124904465,3.040318621543378,1.4783131681789288,0.802749430154621,0.5175286192537565,0.09622504486493763,0.048112522432468816,0.0,0.7260075515613058,0.434331231649054,0.21118759545413268,0.13379157169243683,0.1035057238507513,0.048112522432468816,0.048112522432468816,0.0,11.22239283533483,21.876183539694097,20.776470588235302,21.12,12.550360479041911,170.76413293413177,0.5101087652424923,0.9943719790770044,0.9443850267379683,0.9600000000000001,0.5704709308655415,7.762006042460535,1.4054,32.713999999999984,19.54202305008142,29.63985772912603,39.08404610016284,4.885505762520355,19.542023060147958,2.220446049250313E-16,2.7755575615628914E-17,-28.834922711293725,3000010.7099194443,375001.33873993054,11.931301133279328,61,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.120000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.849444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.8036111111111115,0.0,1.4467592592592593,0.0,0.0,0.0,-0.037037037037037424,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.120000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0600000000000005,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.35111111111111115,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8958333333333335,0.0,0.7233796296296297,0.0,0.0,0.0,-0.037037037037037424,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0600000000000005,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0600000000000005,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.953888888888889,0.0,0.7233796296296297,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0600000000000005,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.333333333333332,2.1666666666666665,0.7,5.0600000000000005,0.17527777777777764,-0.037037037037037424,3.1887572222222222,1.3703703703703707,1.5600000000000003,6.24,1.3703703703703707,1.5600000000000003,6.24,3.66666,0.45833,0.0,0.04167,0.51515,0.89167,0.42308,0.51515,0.89167,0.09207,0.0,-0.09207,0.0,0.51402,0.20027,0.0,0.40909,0.13636,0.0,4.5,0.5625,4.5,0.5625,0.0,0.0,-4.5,-0.5625,0.0,0.0,6.41182,0.80148,8.49821,2.08639,0.2608,2.8326,0.35407,3.80805,0.97546,0.12193,0.10595,0.01324,0.10595,0.01324,0.0,7.02,2,2,2,2,0,0,1.0,1.2406705316766886,1.63861996359321,2.5262804816836244,2.90194695925137,2.9019469592513696,2.699245522040584,27.29475169688715,36.04963919905062,55.57817059703974,63.84283310353014,63.84283310353013,59.38340148489285,0.27821270461723324,0.3674504070754056,0.5665027962589545,0.6507436838190918,0.6507436838190916,0.6052891383645463,3.2187610869606087,2.8208116550440874,1.933151136953673,1.5574846593859273,1.5574846593859277,1.7601860965967133,0.2824637684978126,0.3730650146310581,0.575158905543169,0.6606869859181259,0.6606869859181258,0.6145378992971164,11.58313237654466,16.358525559542915,18.629595933271492,19.00820201304753,19.008202013047534,16.575784766518098,29.245189717995448,22.886960238754725,21.75127647382996,21.24677985171326,21.246779851713264,20.030571228448544,8.0,5.142857142857143,5.0,8,0,2,1.9000000000000001,1.0714000000000004,0.6551853485522243,2.4328807982293603,1.4422495703074083,0.0,0.25,0.9999999999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.5249999999999999,0.536,0.4580000000000001,0.05299999999999999,3.26,7.0,6.0,5.0,2.0,1.0,0.0,0.0,0.0,0.0,36.0,2.0794415416798357,2.0794415416798357,1.9459101490553132,1.791759469228055,1.0986122886681098,0.6931471805599453,0.0,0.0,0.0,0.0,3.6109179126442243,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.5714285714285714,7.0,1.0,0,3.0,6.0,1.0,1.5,0.666666666666667,0.375,0.08000000000000002,0.05555555555555555,0.0,0.0,0.0,0.0,0.0,0.21428571428571427,0.09523809523809527,0.0625,0.016000000000000004,0.027777777777777776,0.0,0.0,0.0,0.0,0.0,0.41580158730158734,19.54202305008142,29.63985772912603,39.08404610016284,4.885505762520355,19.542023060147958,2.220446049250313E-16,2.7755575615628914E-17,-28.834922711293725,3000010.7099194443,375001.33873993054,11.931301133279328,18.46,129.91281985712226,4.0,3.367295829986474,4.007333185232471,4.709530201312334,5.3706380281276624,6.0844994130751715,6.75110146893676,7.467942332285852,8.13593277200489,8.85352256068954,69.74779579165116,2.70805020110221,0.0,3.7612001156935624,0.0,4.990432586778736,0.0,6.304448802421981,0.0,7.656810091480378,7.962415680121064,118.099379688,5.3681536221818185,14.658474095218853,1.8323092619023567,5.612859013103064,5.612859013103064,0.0,75.0,6.0,1.2730000000000001,28.0,1.2266190476190475,2.0781974505811047,2.807414751123794,3.5080975684918236,4.1915263688281765,5.265693972827898,6.6396845292453825,7.512021467053363,0.0,0.0,91.68814592271421,95.43699379200987,100.59814068278455,147.58519547061474,73.25339613208882,55.48728675338241,33.320970307335465,7.632694579900108,0.0,0.0,258.1229394294911,273.30518032443496,339.90647526960066,541.1241590749627,418.18327304445677,399.0293498073007,406.82255360966064,233.5017554415486,0.0,0.0,9.601408614285711,16.483142183801732,22.296225494182508,26.98768538188337,30.998062626244664,36.282360805318135,45.564907169611686,50.46924579362522,0.0,0.0,1.7907023932580948,2.001216278638706,2.5059560845961055,4.163904903340233,3.726974015061027,4.05842696580884,4.554881182041573,3.3399416857546425,0.0,0.0,182.15373034233033,344.21340086483366,482.681703529573,552.3037440923291,704.299416280876,903.1613689435085,1151.6122771984942,1389.1053716432623,0.0,0.0,3.2953174603174595,5.671637439609629,6.501146499746282,8.60316597554596,7.995206796603707,7.169668714547615,9.03573253038687,7.512021467053363,0.0,0.0,0.42864678571428577,0.5228720443839133,0.6469473959272241,0.9822287387436354,0.8649705551555696,0.8878518737713517,1.0095999007517957,0.7692309982262644,0.0,0.0,334.1143673702703,268.0402850868262,12.840348630879985,144.03368649283675,-115.54974631444641,-15.883671282971271,190.08068087743357,383.5900314012726,28.724019913851258,0.6987675985939006,0.5605801025879856,0.026854336281699382,0.3012324014060995,-0.24166101980523402,-0.03321914866042462,159.75613452579793,128.16294067117835,6.139587708779076,68.86942688727878,-55.24988632462827,-7.594746512154034,0.19288307925455472,0.4399300664845531,0.9038209970511742,6.915847268998991,444.0588528722377,34.089200990869394,0.9287057623356364,0.07129423766436384,576.9643030436685,24.020081245567603,8.324975831226203,712.5828081886954,26.694246724504055,8.93192594055471,970.8982371655295,31.159239996596988,9.90203759428933,1.8068116833560113,1.8068116833560113,621.9869540221755,562.6132865454849,93.54357575057432,1.1055319326730662,6.64916803779929,6.014451361637527,4.125693504191512,4.234324309599902,8.268098662837785,0.9526370816927414,3.9046081315307615,4.946231818555946,6.00144883607042,9.353967043544444,9.393157366604546,3.261509142984075,3.661254131486083,10.622978118526047,4.530540993177915,0.35734007892628256,8.381484739047085,5.813707996011367,0.13214659687565622,3.9182930360003905,1.341257500601383,0.009235738445723961,1.0883334545506708E-23,2.4735957665624413E-66,1.0843547432031208E-130,9.168323797906307E-217,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.32768718213668147,4.888720185683107,0.7806813294212257,2.6994210585958474,0.3380498447807845,2.0063082322761745,0.3342423209227454,4.024822338618323,0.24209065030498617,0.02579141866676618,0.3329605027912788,0.27395577218733863,0.10394561879858549,0.3286949106048339,0.009446586262912995,6.504806103602207E-5,7.665221508295697E-26,1.7421737238162638E-68,7.637199118954434E-133,6.457325415926441E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0578127944782127,3.981577215383454,1.2172343658387086,3.0565401183904064,1.0599742123439613,1.719370806042312,0.7444044533128049,3.784036466263822,0.8538810160266009,0.08070087409964004,1.3115129966470542,1.0253312971630628,0.10583006163239857,1.0611596688138079,0.09844071207549582,6.778509483140246E-4,7.987751803328838E-25,1.8154793425166922E-67,7.958550313097668E-132,6.729030945801837E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.6856317130853156,5.390339510744834,7.0606408093394295,9.76726701685396,9.175089338585193,3.4340957941465047,3.363148481624081,10.672676751928169,4.218019787619504,0.3325992761521244,7.653744419912694,5.340347057227627,0.12905037564626767,3.6984524125887606,1.1950362856617744,0.008228876679130765,9.696855141470847E-24,2.2039292945207155E-66,9.661405539673163E-131,8.168811441627709E-217,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.559021210595417,3.6714991756103887,1.3611482747006807,3.5358021542098372,1.7037152474602424,1.7028142498035315,1.105643269227833,4.140496589707341,1.3411486795771144,0.12216673138126356,2.180509824367476,1.6537805369718783,0.1082733429848497,1.5640476207560987,0.21382638088437145,0.0014723828386743584,1.735046429316651E-24,3.9434637283284306E-67,1.7287034754287748E-131,1.4616354391994475E-217,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.715379796405624,5.52801407207347,8.493311463376982,11.680722803269964,13.562723046555643,3.9203171873409812,4.8758795501579035,13.526642038816826,5.96484185869021,0.4543605059667817,11.342821955215236,7.718748670385025,0.14516579001060695,4.7323638286734,1.956098011079286,0.013469456533862677,1.5872320601722907E-23,3.6075069531105413E-66,1.5814294835974395E-130,1.3371138605755265E-216,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.382118999566797,5.522825243390468,6.247117646365096,8.087664039404187,5.127280344867991,3.1376028360230923,1.9321016032473348,9.290140267681693,2.4972010367120387,0.16674448867749114,4.0102890003939375,2.76848344352814,0.14948616993109023,2.6414804680755877,0.4522033613633521,0.0031138181648434583,3.669303218256164E-24,8.339698526183466E-67,3.65588904055995E-131,3.091089397004832E-217,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.41133523134454,1.1695024447728573,0.5442293355293188,0.7890809050749167,0.14393757529586612,0.54586014347384,0.43380933989188963,0.43573277774325897,8.125067011646717,11.623786478544789,23.82952435621442,0.6836213576123751,1.4154022611089887,4.61959503189025,0.6825833083389115,0.14531608835007814,0.8480219837682487,0.12530224992206845,0.2833950270827532,0.1469116904264728,0.030926605478531374,5.44749442857924,3.9237502761902574,9.829463889741286,0.7720329756523732,0.4612333229877574,5.6761379636016445,0.8982678335204433,0.31785196605282107,0.8235527687210206,0.13032998247974079,0.42784878158488776,0.2554818439081482,0.14856633902505342,6.892257763174909,7.1883799595719085,15.70126704734438,0.7353291530815308,0.8318969645180895,6.21277715695265,1.1360852357807212,0.518343770187524,0.7897056500481998,0.1444077112323851,0.5125732843066476,0.40897315280781515,0.39519595356373166,7.867206162920896,10.867481440448355,22.393284617197235,0.6845584750722998,1.3167423906781945,6.10835586061112,1.0016274218859937,0.4013269455214525,0.8132210859599209,0.1333492282278183,0.4954879240527134,0.31822636063390536,0.23694963041399855,7.511310228018566,8.971724606099272,18.93847217361656,0.7198316289398814,1.0506639151006174,6.450886553317857,1.196603192799486,0.5674739532320604,0.7852605062428631,0.14566140966566324,0.5526157043493902,0.45411253517978023,0.47374441454148836,8.214963699349404,12.058902684618275,24.65428377067588,0.6778907593642949,1.480472654070659,6.32510008872306,1.1529808060831335,0.5284159630884897,0.7899959496625908,0.14400565272766633,0.5312748022357574,0.4214571664052199,0.41075283322323203,8.006496857894684,11.244256316935063,23.104342308142073,0.6849939244938863,1.3634848018642094 +UMLCN0158,L,vinyl laurate,CCCCCCCCCCCC(=O)OC=C,Esters,Olefins,C14H26O2,Marquardt (2015),IQT,PubChem,,77,0,-2.4105000000000008,5.810510250000004,52.3329,43.580617999999966,0,0,42,16,26,0,14,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2558.0513599999977,2622.4457070000003,3006.6432349999995,2789.149585999997,2622.6620889999976,2276.114666999997,2051.1682099999957,1854.411480999996,1657.6547519999967,7170.195533623512,8973.543352852905,11578.335608136806,12016.105619004593,11324.072620044211,10388.199125241625,9341.70849675929,8334.910151804137,7328.111806849009,306.95072000000005,305.64627600000006,557.3397800000006,750.1920320000015,692.8695640000011,657.0941400000008,602.1407600000003,539.2558599999999,476.3709599999998,51.89094352607404,66.43697206,93.3215109138859,102.0092681293558,96.01792271426181,89.30813627056386,80.99552305856385,71.97399419916798,62.95246533977208,6953.8825094954755,5962.748498860401,11857.887787866537,17227.152159994857,15805.667615063216,15034.633807780066,13924.980707446168,12446.025552407571,10967.070397368974,129.52777777777777,100.25,167.91666666666669,192.5,191.91666666666669,173.33333333333334,151.08333333333334,138.83333333333334,126.58333333333334,60.905984761904705,63.962090414634154,39.56109519736842,26.818746019230737,27.31939676041664,25.012249087912057,24.418669166666614,24.72548641333328,25.11598109090904,170.7189412767503,218.8669110451928,152.34652115969482,115.53947710581339,117.9590897921272,114.15603434331456,111.21081543761059,111.13213535738849,111.03199707346982,7.308350476190477,7.4547872195121965,7.333418157894744,7.213384923076938,7.2173912916666785,7.220814725274734,7.168342380952385,7.190078133333332,7.217741818181815,1.2354986553827152,1.6204139526829269,1.2279146172879725,0.980858347397652,1.0001866949402272,0.9814080908853172,0.9642324173638553,0.9596532559889064,0.9538252324207891,165.5686311784637,145.43289021610735,156.0248393140334,165.6456938461044,164.64237099024183,165.21575612945128,165.77357985054962,165.94700736543427,166.1677332934693,3.083994708994709,2.4451219512195124,2.2094298245614037,1.8509615384615385,1.9991319444444446,1.9047619047619049,1.7986111111111112,1.8511111111111112,1.917929292929293,0.29213989815145636,-0.16036618579868894,0.050598638760054056,-0.044201740912733475,0.026868151141354022,-0.025326684757784504,0.003357115458578138,1.6273313646215882E-4,-5.317793819008135E-5,1338.0787504761884,-17.43749989342529,-306.6807334807271,98.33537910657627,-14.209400659863835,-155.16060474603125,10.015415714286167,5.429087530612712,0.8427593469391397,2077.3856882647783,-147.69991717959635,-872.2006419824024,212.31215852921858,-36.45203761485277,-138.56897830322202,18.159879893065586,16.456874583997042,14.753869274928498,2.151559619047619,0.04458856235827976,0.905028308390025,-0.16255600907029638,-0.1297391292517024,-0.2904593650793658,-0.07626171428571758,-0.09927893877551254,-0.12229616326530744,9.247260004599623,-1.013662928035084,-4.2288326646734395,0.9190651604850326,-0.28678679081927627,-0.30004461825542106,0.024095265223705642,0.023722184961482373,0.023349104699259104,51.086375974685204,-6.110023030702715,-23.083634756462327,4.84994398116099,-1.8398313637389565,-1.1901954197458102,-0.008768797528562855,-0.008776643129563722,-0.00878448873056814,43.33664021164017,1.0238882590073075,14.214254220206602,2.1882401108591623,5.243102796674229,-7.365630511463836,-2.437169312169305,-3.0733654572940208,-3.709561602418737,0.006955711860748961,-0.003911370385333877,6.657715626322902E-4,-4.250167395455142E-4,2.798765743891044E-4,-2.7831521711851106E-4,3.996566022116831E-5,2.1697751528287845E-6,-8.057263362133538E-7,31.859017868480674,-0.4253048754493973,-4.035272808956935,0.9455324914093872,-0.14801459020691496,-1.705061590615728,0.1192311394557877,0.07238783374150283,0.012769081014229388,49.46156400630424,-3.602437004380399,-11.476324236610559,2.041463062780948,-0.3797087251547164,-1.522736025310132,0.21618904634601888,0.2194249944532939,0.223543473862553,0.051227609977324264,0.001087525911177555,0.011908267215658224,-0.00156303854875285,-0.0013514492630385666,-0.0031918611547183057,-9.078775510204474E-4,-0.0013237191836735006,-0.0018529721706864765,0.22017285725237196,-0.024723486049636194,-0.05564253506149262,0.008837165004663776,-0.0029873624043674613,-0.0032971936072024293,2.868483955203053E-4,3.1629579948643167E-4,3.5377431362513796E-4,1.2163422851115524,-0.1490249519683589,-0.30373203626924117,0.0466340767419326,-0.019164910038947464,-0.013079070546657256,-1.0439044676860542E-4,-1.1702190839418296E-4,-1.330983140995173E-4,1.0318247669438136,0.02497288436603189,0.18702966079219213,0.021040770296722713,0.05461565413202322,-0.08094099463147073,-0.029013920382967916,-0.04097820609725361,-0.05620547882452632,-0.5623249587731941,0.09571580536411162,-0.06110326995341498,0.04023694195391361,-0.0400124707133201,0.005745732575078949,3.1194149445333015E-4,-1.1583664653506747E-4,-0.013349591541243568,-0.12666030150757354,0.029678645315204085,-0.004645924454355241,-0.053518962751912376,0.0037424612380706048,0.0022721301089798766,4.0079958104616655E-4,-0.07283305889642393,-0.23202509801646823,0.04127372645395419,-0.007676844288755601,-0.030786248997626685,0.004370849379499281,0.004436272868875043,0.004519539128080558,0.021229292400308054,0.2324579893719301,-0.03051164302696776,-0.026381267126004537,-0.06230743843273525,-0.017722426469287098,-0.025839955919462972,-0.03617135703786861,-0.11229125314614521,-0.25272204646784713,0.04013739529452635,-0.013568259237982333,-0.014975477215263818,0.0013028326883704237,0.0014365794377818302,0.0016068025733963476,-0.122518927272755,-0.24970934578779813,0.038339600055633784,-0.01575618168794471,-0.010752787851536178,-8.582324897060669E-5,-9.62080409655829E-5,-1.0942504895923326E-4,0.024202640958115078,0.18126106949938772,0.020391805828662044,0.052931133155284325,-0.07844451618583627,-0.02811903853491028,-0.03971430751621512,-0.05447192258333037,1.6123302928817553,0.8444256147670889,0.9645305347245631,0.8527077306095483,0.8735252784245432,0.7697786825593549,0.8435186259044691,0.9319312763564325,1.1940361002156377,1.1775555649715563,0.9190418046532259,0.9597643379128572,1.0068913352661586,0.9205001750437959,0.9320381384898624,0.9467228192394013,1.4336911067490463,1.3689043372652023,0.9117741602243258,0.9791775074839633,0.9894656590617357,0.9465243645567157,0.9416221621419881,0.9353829954323345,0.7180856093050725,0.5882484718015728,0.9334752145107185,0.8993266266184933,0.9755386984157817,0.7902146155240828,0.8729888821291804,0.9783379487174862,1.537066298121506,1.4168755126564259,0.9086392616693918,0.983937049054183,0.9710550390196339,0.9447678177983101,0.9391471713087968,0.931993621231234,1.5543937307852118,1.4158641852764302,0.9081137995841773,0.9837883426088998,0.9651162760460976,0.9410737668701404,0.9370016032878506,0.931818849637664,0.6038000763067536,0.44831683367135916,0.7761457752472639,0.9229497329263646,1.1119924867196909,0.7935635253719959,0.8824839374284631,0.9956553709548758,158.45886749272006,79.47943374636,127.97719272076762,158.89636749272,9.931022968295,79.47943374636,0.49999999999994316,0.16801656368355322,0.010501035230222076,-2.8539083377350405,442.9435851285342,27.683974070533388,9.749507863353799,158.47484970139348,79.48669042979547,127.98603579180939,158.91106446481626,9.931941529051016,79.48669042979547,0.49853115819746563,0.1678764525788628,0.010492278286178925,-2.855243154296583,455.6825694429665,28.480160590185406,9.794874315948782,172.8741360822579,86.0380735630709,136.16482650163636,172.1758957456563,10.760993484103519,86.0380735630709,-0.7979889561161144,0.04200795135613766,0.002625496959758604,-5.071834176982213,117.71835519760833,7.357397199850521,7.629271921776111,158.49162401713636,79.49430680878706,127.99531768438834,158.9264899175194,9.932905619844963,79.49430680878706,0.49698960043777163,0.16772939926396685,0.010483087453997928,-2.8566453069563145,470.52943281415196,29.408089550884497,9.846173621645232,188.56205475636955,93.19873311384555,145.58843592221962,186.6680397937759,11.666752487110994,93.19873311384555,-2.1645885286784363,0.0946037315444162,0.005912733221526013,-3.772893373121647,120.2997331017937,7.518733318862107,7.663978246996746,160.13606235752476,80.2411653646407,128.9079592597958,160.4390471828118,10.027440448925738,80.2411653646407,0.3462683717566222,0.15332220300564614,0.009582637687852884,-3.0003418718326946,222.11230066913566,13.882018791820979,8.64509298054207,186.92481556385138,93.41064172125648,153.45940225811165,187.33965438448126,11.708728399030079,93.41064172125648,0.737414965986261,0.2573325902897677,0.01608328689311048,-2.1718174481674164,119.07095313073651,7.441934570671032,7.64755129635893,0,11.790000000000003,15.995921705623442,-0.28653671176600226,0.2659739800474017,4.234878642338345,7.581561119147345,15.0,41.0,39.0,39.0,13.0,2.0,2.0,0.0,0.0,2.0,31.29738199999999,3.5816310051042906,3.487727667586851,3.323827458585494,3.132952040765944,2.9622505250445132,2.7015431835006596,2.3799906292506554,2.0500731935952157,1.938894766351134,1.8411513522685348,1.69133632016437,1.5603441995751923,1.4671586123187015,1.264839703617056,1.0577304017171363,0.8753975492544827,3.565541090739617,3.461715803957242,3.303241015712958,3.1444392854930374,2.962515667949156,2.694334346540895,2.387751886260357,2.0808565481152135,1.883201940028673,1.7916908023261962,1.6570406796983757,1.5310926796456195,1.3944437831773913,1.1963023179662058,0.9862740480025215,0.7950117433793261,3.696554059737673,3.6137416425572426,3.4717522345933465,3.305602064241243,3.1391146562823664,2.9151254138138682,2.6524191951781044,2.3929516791572656,1.7067756609212312,1.599044559437767,1.4400027546280074,1.3062503080081906,1.149929063338344,0.9066771442484004,0.646043233162628,0.40179434710385903,3.582150749225027,3.4699716550383317,3.3042655596734454,3.1592875024751375,2.980789848104729,2.70937405918269,2.4083683786674284,2.1130461038615933,1.8505736116005593,1.7688204499546307,1.6423158940306555,1.5005029812198925,1.3503607297621147,1.1570251778915792,0.9428142864696613,0.7401276525703284,3.7468222435223955,3.655268286186197,3.516400277849015,3.369211323789859,3.2089079553149635,2.989748932260365,2.7457284705190106,2.511889324719414,1.654150774120734,1.5497414915909518,1.395261417426461,1.249992540340314,1.0805442381857542,0.8317963274112238,0.5568366303633462,0.2910311132632606,4.867254164891098,3.711333533264895,3.518789304057594,3.3904636395218364,3.1804898424742714,2.9107702497768675,2.638778632439043,2.4836193127338855,1.8673268475631812,1.7395875791273512,1.543742877767008,1.3043283598431863,1.0817720929351098,1.0028360632571367,0.7771444571504232,0.5555305217376207,0,0,3,0,0,1,10,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.49279927982674443,0.348461712529338,0.07568735753865524,0.07757530498190829,0.054854024205321913,12.0626316434282,7.808060412490448,5.510949109458356,3.5819512300735075,2.440596298730717,1.396638047739347,0.8991838867713151,0.5733190238696736,0.7539144777142625,0.5205373608326965,0.36739660729722373,0.2558536592909648,0.18773817682543975,0.12696709524903155,0.0899183886771315,0.06370211376329707,10.672021443169378,6.612859013103064,4.234953389538761,2.6992334202209776,1.7318695601469742,1.0755604488942543,0.6721477393408559,0.4127802244471272,0.6670013401980861,0.44085726754020427,0.2823302259692507,0.19280238715864126,0.1332207353959211,0.09777822262675039,0.06721477393408559,0.04586446938301413,22.473359658050036,41.20320466132559,39.129411764705864,39.68000000000001,25.341687425149733,322.4190526946108,0.5350799918583342,0.9810286824125141,0.9316526610644253,0.9447619047619049,0.6033735101226126,7.676644111776447,4.520190000000006,67.86300000000004,84.0662416750125,133.2537565657986,168.13248335002504,10.508280209376565,84.0662416750125,0.08308196957703762,0.005192623098564851,-3.9806841172184315,130.6066304014652,8.162914400091575,7.7955039749190895,317,0.0,0.0,2.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,11.0,1.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,10.0,0.0,1.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.59550854884053,4.4005478751075175,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5341260402498644,0.6462788180276422,0.0,0.0,3.156183680575539,0.538125,0.0,1.1804048582775066,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.238424928897061,3.3507993140563697,11.93218531382156,0.0,1.2044283805735896,0.0,0.0,0.0,0.0,-0.1546798195224417,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.956679532353753,4.638829016486776,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.638829016486776,-0.1546798195224417,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5341260402498644,0.6462788180276422,0.0,0.0,0.2174363418937595,0.538125,0.0,0.5341260402498644,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.238424928897061,3.3507993140563697,0.5296177685950412,0.0,1.2044283805735896,0.0,0.0,0.0,0.0,-0.1546798195224417,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.956679532353753,4.638829016486776,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.956679532353753,3.3507993140563697,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5341260402498644,0.6462788180276422,0.0,0.0,0.538125,0.538125,0.0,0.6462788180276422,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.238424928897061,3.3507993140563697,1.3771434887596503,0.0,1.2044283805735896,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.956679532353753,4.638829016486776,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,34.16666666666667,2.135416666666667,0.6462788180276422,10.956679532353753,0.2174363418937595,-0.1546798195224417,8.142916873528717,1.8213464861891084,3.956679532353754,11.36946558358792,1.8213464861891084,3.956679532353754,11.36946558358792,7.66666,0.47917,0.0,0.02083,0.48889,0.79583,0.428,0.4803,0.79583,0.06089,0.00859,-0.0523,0.0,0.60209,0.1122,0.0,0.17391,0.06522,0.0,11.25,0.70313,8.25,0.51563,3.0,0.1875,-5.25,-0.32813,0.0,0.0,16.0484,1.00303,21.20647,5.15807,0.32238,6.21224,0.38826,7.80805,1.59582,0.09974,0.10595,0.00662,0.10595,0.00662,0.0,15.02,2,2,2,2,0,0,0.7857142857142857,1.1657840518150733,2.1226474821964847,2.9288645184328486,3.495472258840505,3.860443698311204,3.9930102815128805,48.96293017623308,89.15119425225235,123.01230977417964,146.8098348713012,162.13863532907058,167.70643182354098,0.21619351392231714,0.3936429026284297,0.5431550646592964,0.6482319167774852,0.7159155138018277,0.7404998571940908,4.226533370963687,3.269669940582276,2.463452904345912,1.8968451639382558,1.5318737244675567,1.3993071412658802,0.21484098261237067,0.39118022768002925,0.539757024552637,0.6441765038853889,0.7114366645980477,0.7358672055307955,10.116970663308425,18.278712234791264,21.41473262984683,23.567036145315296,25.007873940662495,24.591904322174397,58.86141396933485,43.38017034313474,36.752037651183905,30.936111154254096,26.98428520249621,28.01324985897863,16.0,13.066666666666666,13.0,16,5,12,2.78,2.1126000000000023,0.07142857142857142,3.83525104268435,0.34815531191139576,0.0,15.90011901524786,2.6162800405704547,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4470000000000001,0.442,0.5980000000000001,0.20700000000000002,7.243,15.0,14.0,13.0,11.0,10.0,9.0,8.0,7.0,6.0,124.0,2.8903717578961645,2.9444389791664403,2.8903717578961645,2.9444389791664403,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,5.0106352940962555,1.2016129032258065,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,0.8,13.0,0.8666666666666667,2,7.0,14.0,1.0,1.5,0.666666666666667,0.375,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.1,0.04444444444444447,0.026785714285714284,0.01230769230769231,0.010101010101010104,0.008163265306122448,0.006944444444444444,0.006172839506172838,0.005714285714285715,0.005509641873278237,0.23975951423670375,84.0662416750125,133.2537565657986,168.13248335002504,10.508280209376565,84.0662416750125,0.08308196957703762,0.005192623098564851,-3.9806841172184315,130.6066304014652,8.162914400091575,7.7955039749190895,26.3,263.0077794624558,5.0,4.110873864173311,4.77912349311153,5.476463551931511,6.159095388491933,6.863803391452954,7.552237287560802,8.260234291607297,8.951699168308815,9.661607055884954,92.8151374925231,3.4339872044851463,0.0,4.51085950651685,0.0,5.726847747587197,0.0,7.009408932708637,0.0,8.328692583545568,8.646289764750648,226.193280072,5.385554287428572,30.651599919729804,1.9157249949831128,5.316248610704584,5.316248610704584,0.0,647.0,14.0,6.067999999999999,60.0,1.240951219512195,2.1532215293261494,2.88261353994456,3.65708623971148,4.966391718863542,5.974519408362532,7.295361366573658,8.407728614640458,9.711616478199518,10.863095488973206,90.42119584539023,93.91551828506381,91.40217954709723,124.97323969329317,144.81224621370205,171.18931762526435,203.23668968787877,236.92029007747695,272.59943682618166,311.81412906735665,296.40382902339985,349.1143123987143,367.47608553780657,504.56912148151855,622.9823617357927,738.741706665917,873.8762382270056,1006.9834954631388,1141.3044132636362,1272.8612412629807,9.296545091804878,15.869457165285942,20.86828311708245,26.58383804822058,35.99677872804965,43.03786510059375,52.62480965994053,60.894555840984566,70.63072892209593,79.55280927375729,2.1419653509175607,2.763010768512877,3.019956737649889,4.1175773250096315,5.211140177910209,6.226442007775822,7.384277904202257,8.474945213924077,9.577359501762151,10.591447323791083,178.4310970445852,332.87877883026584,473.51570405626023,587.41012583386,811.2075024787698,975.6509107990033,1199.4262049569975,1382.6782087811941,1604.891168423598,1798.9209740422414,3.108867886178862,4.936598518997017,5.485833459934567,7.670217909948722,9.679325019760492,11.082600277672602,13.787330632791473,16.471351902062324,19.78992435029976,23.46263748618956,0.46284658536585394,0.612425320073195,0.6749318950412438,0.9159352309850125,1.1627702123970505,1.3845450288091836,1.6536324249435594,1.9108256672313417,2.181312248795673,2.442976893994231,635.5622252540496,740.1682137173258,23.316571281261222,266.90952368067883,-310.839658993109,-30.262079693553822,368.6527015733708,1051.0078727104349,53.57865097481505,0.7042461174039661,0.8201566581901485,0.02583634480390543,0.2957538825960336,-0.3444314565636232,-0.03353243991213572,573.5769529818701,667.9809023393691,21.042546863361082,240.87830464343762,-280.52401068978577,-27.310671987443655,0.22832112261167073,0.24596135742295802,1.6227684577169377,6.962672006919976,832.6823726013986,69.78937633332998,0.9226686304411091,0.07733136955889076,1108.00574618774,33.28672026781461,10.347783592512242,1360.5056211950348,36.88503248195716,11.080689367226851,1918.0750639283597,43.7958338649735,12.424775007207984,3.872596321654174,3.872596321654174,6469.127927327631,6378.971664145285,126.81944253650636,1.014133353764384,51.01053748493984,50.29963494997251,6.945077418016357,9.404386171075023,18.701912504241236,0.9886372341623445,7.509630390344299,10.742164981886097,5.212068486398871,48.01037265242086,19.487426688453173,1.0627619790260938,9.603544106662312,8.866723986696602,38.1623438831422,0.863746616976354,3.3629227621143727,31.407510148993396,5.486412604639395,34.09243340124285,1.4907777022872877,4.448394341807357,13.166846363979216,6.62814699954246,22.755264713205207,2.367118810124454,6.903887387894294,6.21464989424163,7.5203353448933115,8.070945937767123,3.002308070741447,9.116349679087799,1.2677938582486992,5.980665367746888,2.921900001991939,0.728649165056041,0.6467535474609852,10.806372635807536,0.37022666991256575,11.292399521101288,0.6226213412768592,0.9394217891101823,1.3652875274621286,0.4264228027616292,10.226081560608673,0.031078835766936232,2.3921491076402037,2.902328015338259,0.3101014069346322,7.477756960342026,0.06815884707815538,2.7968936221685348,0.6645882783944017,0.3649639621809538,4.386449359203283,0.10926767655888743,3.0575824633504354,0.2267639234583848,0.46329329816092096,1.6679940130079645,0.14688522916442745,3.179308685669047,0.01138856780711511,0.6408367320829662,0.1005522130786193,0.05069218029429748,2.040344094544611,10.68614963811088,1.2116843770561236,13.502434944728192,1.7207742544209204,0.7858795567932217,2.931705567812625,1.3517314189488967,13.329458429013462,0.12761212554513698,2.0907847655537526,7.128422860130171,0.8461735588318299,11.225111120743499,0.25755222465178396,2.649966435872821,2.040367260622334,0.9403433726787123,7.065682659408864,0.41162977322258343,3.2355294916175317,0.7210995346544932,1.1059236913540365,2.585607389802606,0.5434018407632583,3.523376979749847,0.0986151594127367,1.193076783826001,0.4135654995272443,0.14433824557309946,7.093595526324896,10.806536087478399,4.926402669520531,45.00590097627858,17.762762781044803,1.1886467929750313,9.37996221367203,8.222555493693106,37.187720202006126,0.7867934984612355,3.4494716069141944,29.46498769442063,4.986751769991695,32.594596214590034,1.36795785473508,4.644373628256008,12.54649141431161,5.996947424934767,21.59967488793698,2.1728179719981933,7.103899712464071,6.043332475134632,6.807935761265664,7.712763491939009,2.761581602923815,9.421434636680651,1.1312508847673182,5.748044948862795,2.6564432837350602,0.7321276764059387,2.999502634921682,10.640492059754408,1.8170904307503104,16.415756042702057,3.236818727478523,0.7265178352918258,3.9682829194535802,2.1846715943369217,15.96687731104448,0.21568267054525675,2.048378641412386,10.520233967058896,1.3685196369120243,14.212472715566339,0.4175518897654823,2.7048477229564463,3.200305676181899,1.5441215718602908,9.185282692055525,0.6662577997760015,3.5212920335227267,1.1622821318022032,1.7840316476861795,3.313291587470751,0.8709250990747281,3.925566664789174,0.20871792266748954,1.6606859110923733,0.7065070650591653,0.20648960146816803,9.068986871751019,10.78318110438498,6.576818403578605,65.14307466465814,28.336981416170822,1.228641524221373,11.706954712487256,12.183883389254577,48.57815178728822,1.1781652115664056,4.0210541615495465,40.1235959605969,7.550219501969565,42.691506642800476,1.9860909364274757,5.104481365698484,18.114684723460126,9.249920140677677,28.581191807246995,3.150198363851645,8.226069955631543,8.931792294371586,10.48322870039988,10.101946369391547,3.9684565018352114,11.404160869333055,1.8420966147810416,8.179598351298907,4.01100259868957,0.9745495560882742,4.576820235623018,9.179917932903535,3.1556940212889564,26.946252037576794,9.735586137983912,1.4945465123564088,6.197645668102981,4.719045586549929,28.831169661244775,0.35913649023392075,3.748248317141244,17.62998860154343,2.397129060792898,22.383036580885083,0.6528907998841379,5.087404346650105,8.886254838604078,2.8642107273615802,14.292492806526873,1.0390590526296233,7.150171959218735,5.041969013429463,3.3593523497105213,5.7944393051455245,1.336760631171215,9.403316772250157,0.45027374037623963,3.788209193749122,1.2103506512336097,0.4708209294136567,28.497788548976256,0.8558796289425468,0.433077575,0.9567271559426314,0.028733572846193822,0.5093668840254872,0.5869701122168088,0.5238027751739294,29.7867457529188,37.1030921208287,77.4528929868204,0.935090733913947,1.6201397714162256,29.265665861333634,0.48674665356824853,0.08099828686693773,0.9809694927540258,0.016315487920656707,0.5376836427608676,0.18547270494296875,0.018322640877000272,29.83341080176882,16.654859366316174,47.64208792328312,0.9714542391310388,0.7414789885808366,28.463217132283184,0.582136808072999,0.21926952502579056,0.972615183856823,0.01989216805613872,0.5082062715909323,0.27140493818881745,0.13427431767227185,29.264623465381973,22.938247331583906,55.83605420299064,0.9589227757852344,0.9138855274520217,28.686393701696602,0.8554037343650138,0.41669515948525754,0.9575379538942704,0.028552963125126122,0.5161727465520147,0.5864225861607143,0.48492359203261876,29.958492595546872,36.84837229199715,77.03191751455667,0.9363069308414056,1.5875189247453476,28.2228002994106,0.6415633785467012,0.28658537097952913,0.9681605992323574,0.022008318750435324,0.49958375617635437,0.3298115074754936,0.22937413179779242,29.15094904893683,26.378819484874153,60.7188882014439,0.9522408988485361,1.0587693954496404,28.56195832680508,0.8959505223607742,0.45937462627450115,0.9546975864386923,0.029947589429243346,0.5116658267441394,0.6432578334048298,0.5893460928420723,29.917283475440357,39.122317350961566,80.79504413127381,0.9320463796580384,1.7442697529910416,28.824756742808354,0.8634411380698328,0.4189568882889619,0.95740553910886,0.028678935113260393,0.5211729370621491,0.597419745178111,0.4902019934293732,30.107154769167146,37.32655576967621,77.86091099505632,0.9361083086632898,1.6087946756696332 +UMLCN0159,L,1-butoxy-2-propanol,CCCCOCC(C)O,Ethers,Alcohols,C7H16O2,NREL (2014),IQT,PubChem,,36.1,0,-1.115,1.243225,34.6266,24.59268799999998,0,0,25,9,16,0,7,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1538.0418729999983,1495.5458839999997,1690.7568879999983,1464.5673179999976,1084.5689489999977,875.1762239999998,696.670343,506.0099980000001,144.307296,3894.739777068909,4828.835891157359,6035.360156518127,5664.916747396697,4522.024500371911,3847.929306439052,3355.2756180457022,2534.9797396761583,1391.118395210263,186.98246800000007,184.03988000000007,334.30835199999996,408.5322959999998,352.8895079999999,253.16205600000023,237.76259600000017,215.18848000000014,152.14003200000002,27.922514477583977,35.20045263600001,47.01735948849003,47.12987218498005,38.73184225722502,32.191310818187986,29.800876979885984,23.447025549583977,14.289856081339005,4217.145496622985,3576.0242580846507,7111.222143714141,9114.799219214681,8258.587258437927,5669.252724724439,5509.863390307387,5140.414147414284,3661.504836345489,83.02777777777777,62.0,103.41666666666663,133.5,87.91666666666667,71.66666666666667,63.33333333333333,60.0,43.0,61.52167491999993,62.31441183333332,38.42629290909087,27.121616999999954,22.59518643749995,25.740477176470584,21.111222515151514,16.866999933333336,6.8717760000000006,155.78959108275637,201.20149546488994,137.1672762845029,104.90586569253144,94.20884375774814,113.17439136585448,101.67501872865765,84.49932465587194,66.24373310525063,7.479298720000003,7.668328333333336,7.59791709090909,7.565412888888885,7.351864749999998,7.4459428235294185,7.2049271515151565,7.172949333333338,7.24476342857143,1.116900579103359,1.4666855265000003,1.068576352011137,0.872775410832964,0.8069133803588545,0.9468032593584702,0.9030568781783632,0.7815675183194659,0.6804693372066193,168.68581986491938,149.0010107535271,161.61868508441228,168.79257813360522,172.0539012174568,166.7427271977776,166.96555728204203,171.34713824714282,174.357373159309,3.3211111111111107,2.5833333333333335,2.350378787878787,2.4722222222222223,1.8315972222222223,2.107843137254902,1.9191919191919191,2.0,2.0476190476190474,0.3858152781421326,-0.1436765235228877,-0.11041842190232015,0.11031824113590862,-0.04893473483431059,-0.03520322608268484,0.025011680715754617,0.018973359096701968,-0.028797237469705493,838.9365446399997,-35.4553886143999,-181.4740767264002,-181.52671354240033,117.23304073119968,-175.85835543040025,-75.6597945248002,30.880876991999813,-137.44098777760024,1134.6745629472357,-131.6202798780716,-328.4658946657354,-266.1839898201942,276.6413141846046,-110.8574807700134,-151.14839051834525,-5.244931784429667,-142.35131690112792,2.0115878400000007,-0.0934331263999984,-0.40423779839999774,0.2273977856000018,-0.2969947328000009,-0.4181636223999994,-0.030496908800001638,0.01491955199999824,-0.20163890560000075,4.954097830170243,-0.8705888183765401,-1.6998847386563374,-0.763410989554761,1.2066916786709347,-0.041428296470405676,-0.7219743587156779,-0.2277904363073313,-0.3798312898209656,27.605292555346214,-5.27234069770357,-9.825317641764126,-3.2608550568108976,6.344754931193042,0.39322331310822883,-4.011592615831992,-1.595760909114509,-1.693412864442777,28.76,-4.260711111111112,-1.9364888888888903,-0.2393777777777779,0.5774666666666692,-4.809155555555549,-2.0531999999999972,1.3613333333333344,-5.708399999999994,0.015432611125685305,-0.005986521813453654,-0.0025095095886890945,0.0020429303914057152,-0.0010194736423814706,-0.0010353890024319072,7.579297186592308E-4,6.324453032233989E-4,-0.0013712970223669282,33.55746178559999,-1.4773078589333293,-4.124410834690914,-3.361605806340747,2.4423550152333267,-5.172304571482361,-2.2927210462060668,1.0293625663999937,-6.544808941790488,45.38698251788943,-5.484178328252984,-7.465133969675804,-4.929333144818411,5.763360712179263,-3.2605141402945117,-4.580254258131674,-0.1748310594809889,-6.7786341381489486,0.08046351360000002,-0.003893046933333267,-0.00918722269090904,0.0042110701037037365,-0.006187390266666685,-0.012298930070588217,-9.241487515152012E-4,4.973183999999413E-4,-0.009601852647619083,0.1981639132068097,-0.0362745340990225,-0.0386337440603713,-0.01413724054731039,0.02513940997231114,-0.001218479307953108,-0.02187801087017206,-0.00759301454357771,-0.018087204277188837,1.1042117022138485,-0.21968086240431542,-0.22330267367645742,-0.060386204755757365,0.13218239439985505,0.01156539156200673,-0.12156341260096945,-0.053192030303816966,-0.08063870783060843,1.1504,-0.17752962962962968,-0.04401111111111114,-0.004432921810699591,0.012030555555555609,-0.14144575163398673,-0.062218181818181735,0.045377777777777815,-0.27182857142857114,-0.38791373440946564,-0.16261082251417494,0.13237749430526108,-0.06605969878193245,-0.06709097987369454,0.04911221519719165,0.04098109503781813,-0.08885709690984221,-0.04402323001578338,-0.12290592360774916,-0.10017461474941655,0.07278127978920557,-0.154132770962489,-0.06832224263129184,0.030674625303207782,-0.19503289562260526,-0.12083152534080398,-0.16447742404407248,-0.10860676060312004,0.12698268076992372,-0.07183809011778584,-0.10091559306297465,-0.0038520088752778104,-0.14935194547196715,-0.0483827608210893,-0.1141787411444712,0.052335150620414064,-0.07689684416996033,-0.15285101930458345,-0.011485314401125045,0.006180669694244388,-0.11933175942765542,-0.18305317810899974,-0.19495852415899756,-0.07134114541105346,0.12686169527786278,-0.006148845610862898,-0.11040360737799683,-0.03831683791818047,-0.09127395591099625,-0.19894813826359056,-0.2022281354460879,-0.05468716246593681,0.11970747469424643,0.010473889688742771,-0.11009067587061917,-0.04817194945242074,-0.0730283039646608,-0.15431991449029003,-0.038257224540256554,-0.003853374313890465,0.010457715190851537,-0.1229535393202249,-0.05408395498798829,0.039445217122546776,-0.2362904828134311,1.342854706677754,1.2441628497006383,1.082476281052391,1.0987564216442776,1.0478805590166842,0.6372263398184467,0.6750404341346188,1.0311718646814365,1.2446904723265921,1.2124613521386343,1.1260205668605408,0.8442178672809142,1.1415345590877655,0.9363752656111523,0.7991185539398368,1.0364497875124674,1.5703641386664906,1.269736920899913,1.0260452879605861,0.7207154320011387,1.0508350231179548,1.0745979003371233,0.8646064375929889,0.9197016781693442,0.9835454165401988,1.2791946304648385,1.2313103308920816,1.0813079880220389,1.188173231117469,0.616821820083816,0.6596404957389279,1.0083133417344856,1.7535904418127857,1.3344330735908463,0.9770399242745451,0.6910251616292485,0.9922868735733203,1.0922033262290385,0.8763838814878638,0.8189252656085398,1.7873570756556383,1.3539205004875048,0.9696956893164319,0.6948235455144927,0.9797452729200674,1.0814333572920682,0.8727149794936497,0.7921781571572161,1.1058955339205687,0.9683061491128251,1.2770651968612097,0.5606745479833101,1.1535629550846762,0.9756817128166223,0.9782104775150671,1.629246969998013,46.85317618845694,23.67658809422847,37.33643044020875,47.24206507734584,5.249118341927315,23.676588094426958,0.49999999999999645,0.10621467215828723,0.011801630239809692,-2.0180637214207855,44.3878923928756,4.9319880436528445,3.4136700645566664,46.869839736659486,23.684185447428447,37.34942209819396,47.25758619303525,5.2508429103372505,23.68418544762536,0.49853115819740523,0.10608582218789908,0.011787313576433232,-2.0191561822550876,44.38113637553544,4.931237375059493,3.413533070478839,61.68956828970634,30.445789666795136,49.11192392038686,61.068910212727175,6.785434468080798,30.44578966679532,-0.7979889561160647,0.02542868401207915,0.002825409334675461,-3.3046897052824664,48.67691700588105,5.408546333986783,3.496684440843671,46.88732861334009,23.692159106888976,37.36305802076507,47.273876080347314,5.252652897816368,23.69215910708425,0.49698960043786045,0.10595071746386986,0.011772301940429985,-2.0203031003125274,44.37410033514986,4.930455592794429,3.41339037610733,77.46497919021665,37.650195330769186,61.870090439503755,75.781410334578,8.420156703842,37.650195330769186,-2.16458852867828,0.019757598210471683,0.0021952886900524094,-3.531795427892728,87.98647666461792,9.776275184957548,4.029464815563061,48.599114819253316,24.472691595504948,38.70151428479268,48.86843466395287,5.429826073772542,24.472691595591304,0.34626837175657954,0.093330558503679,0.010370062055964333,-2.134446925716609,43.920604292876206,4.880067143652912,3.4041452004467017,44.87242059132407,22.994600318337774,36.2932460755567,45.74102729326411,5.082336365918234,22.994600318801954,1.1167800453514758,0.14430126479519068,0.016033473866132297,-1.7422668433811594,56.556935227938915,6.284103914215435,3.6317230505187985,0,11.996320061010238,15.998259298781898,-0.4151258454266583,0.09990591046494487,4.359480758891571,6.570590365998629,8.0,24.0,24.0,24.0,8.0,0.0,0.0,0.0,0.0,0.0,19.407311999999997,3.4759801679385833,3.2867086273196557,2.833791155517642,2.370830053024243,2.098716785841797,1.8288195835587715,1.2925922936628458,0.9800669312392093,1.828641587220531,1.7104824294977319,1.4007399884224878,1.1607508583674677,0.8788070494172915,0.6687466765650785,0.5762901419515185,0.2940122795881275,3.4268665932695295,3.2838351785231463,2.796236611403605,2.398115775665079,1.976181554442399,1.7922772250368226,1.3747633105505301,0.99459619410728,1.7948899518618466,1.675972312539223,1.3426756273884832,1.07076352194429,0.7862641969732455,0.6771168235368593,0.4292025449613247,0.16612849768112986,3.607949174183532,3.454845881673882,3.0497945172538534,2.6838239639528467,2.3968794963795808,2.2289488614289246,1.8358551074338987,1.5411108626007661,1.5750469320165421,1.445342730596681,1.0298483198208241,0.7083221532758082,0.3433910074312059,0.144638922857029,0.09418090650058755,0.4312614232827776,3.431610972419383,3.2945494801082655,2.8108528664436476,2.4329516094708974,2.0064003220734326,1.7778219361832022,1.4504020347606636,1.048486952868663,1.780438949547025,1.6474360155631873,1.3071489795443478,1.0086058677231067,0.7615221925387508,0.6323456520435674,0.32997725705845166,0.0708797702059877,3.649884873597571,3.514231567702822,3.1253933870215858,2.798489917677298,2.484786367689095,2.355197844178622,2.024915041325374,1.733784848699268,1.5251687495118447,1.3899746525148573,0.9492329840937987,0.5974896037371453,0.21555373885830306,0.04333685315591752,0.28107266550804477,0.6244153901174513,4.380719590984433,3.594843033163494,3.276189878119557,2.963780732046628,2.6308265826851014,2.1318695516175983,1.6661980100023202,1.4273397436810593,1.6531700564307654,1.4836778540669109,1.094673745416027,0.8147412445758885,0.5120700894160196,0.16609243318558345,0.10752358753495984,0.3469510474925256,0,0,0,0,0,4,3,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.18257418583505536,0.0,0.0,0.0,0.2886751345948129,0.20412414523193154,0.14433756729740646,0.07453559924999299,0.05270462766947299,0.037267799624996496,7.112884175122364,4.2700556100296625,3.243182156491986,1.635027805014831,0.9793625530579064,0.5675139025074155,0.3061862178478973,0.20412414523193154,0.7903204639024849,0.5337569512537078,0.40539776956149826,0.2725046341691385,0.19587251061158129,0.14187847562685388,0.10206207261596577,0.10206207261596577,6.2612392798996375,3.528254499776823,2.2774897137698833,1.0012819213025042,0.5002887311139365,0.28158877067317456,0.14420344403249444,0.08527787893361546,0.6956932533221819,0.4410318124721029,0.2846862142212354,0.16688032021708402,0.10005774622278729,0.07039719266829364,0.04806781467749815,0.04263893946680773,12.764220639120705,24.76402039329934,23.501960784313734,23.88,14.348914970059875,193.79238802395213,0.5105688255648282,0.9905608157319736,0.9400784313725494,0.9551999999999999,0.573956598802395,7.751695520958085,1.1839,37.40779999999999,26.27222476218092,41.81111967960283,52.544449524361845,5.838272169373537,26.272224762194256,0.06822673905855597,0.007580748784283997,-2.4164268503977295,44.11417305852316,4.901574784280351,3.4081030038301736,87,1.0,0.0,2.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,4.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6239668367346938,0.0,13.81216080876795,0.0,0.0,3.173160238331443,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6239668367346938,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.8632553854875287,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.8449206349206353,0.0,3.493977702191988,0.0,0.0,0.0,-0.3177258125472413,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.726697845804988,0.0,5.085462962962962,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6239668367346938,0.0,5.085462962962962,0.0,0.0,3.173160238331443,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6239668367346938,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.255625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7281207482993197,0.0,0.4722222222222223,0.0,0.0,0.0,-0.3177258125472413,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.726697845804988,0.0,5.085462962962962,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6239668367346938,0.0,8.726697845804988,0.0,0.0,3.173160238331443,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6239668367346938,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5611111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1167998866213154,0.0,1.152588813303099,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.726697845804988,0.0,5.085462962962962,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.833333333333336,2.314814814814815,0.6239668367346938,8.726697845804988,0.11277777777777787,-0.3177258125472413,3.210069496409675,1.6510591458805746,2.7266978458049884,8.857921390778532,1.6510591458805746,2.7266978458049884,8.857921390778532,4.16666,0.46296,0.0,0.03704,0.50533,0.87037,0.42414,0.50533,0.81333,0.0812,0.0,-0.0812,0.05704,0.53191,0.18238,0.0,0.32,0.12,0.0,4.75,0.52778,4.75,0.52778,0.0,0.0,-4.75,-0.52778,0.0,0.0,7.80434,0.86715,9.8423,2.03796,0.22644,3.47952,0.38661,4.27005,0.79052,0.08784,0.14395,0.01599,0.14395,0.01599,0.0,8.02,2,2,2,2,1,1,1.0,1.2177968115985955,2.059721832409614,3.3834651896016465,3.943465189601646,3.673269689515108,3.124889451733241,30.444920289964887,51.493045810240346,84.58662974004116,98.58662974004116,91.8317422378777,78.12223629333103,0.2622382696260177,0.44353695468539733,0.7285895711093887,0.8491790073699387,0.790995573377844,0.6729083167161624,3.426059378176129,2.5841343573651105,1.2603910001730778,0.7003910001730782,0.9705865002596163,1.5189667380414833,0.2656067113759494,0.44923417194484044,0.7379482796357593,0.8600866831476569,0.8011558849036058,0.6815518014033343,11.248590157410334,19.298450663320093,23.27067434696194,23.835056364881943,20.592710363843477,19.492579255910297,32.85447821455816,21.39934386863981,17.494197690608125,15.679726273033733,20.212411155843512,22.981881342617523,9.0,6.125,8.0,9,0,4,2.01,1.2123000000000008,0.14285714285714285,2.6358665872816966,0.8164965809277259,0.0,3.1473451902649443,1.437216447852337,0.0,0.0,0.0,0.0,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.259,0.614,0.621,0.528,0.233,4.177,8.0,6.0,5.0,4.0,3.0,2.0,0.0,0.0,0.0,45.0,2.1972245773362196,2.1972245773362196,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.0,0.0,0.0,3.828641396489095,1.0,0.42857142857142855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.625,8.0,1.0,0,4.0,7.0,0.75,1.5,0.44444444444444464,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0,0.0,0.0,0.0,0.1875,0.05555555555555558,0.041666666666666664,0.03200000000000001,0.027777777777777783,0.027210884353741496,0.0,0.0,0.0,0.0,0.37171088435374156,26.27222476218092,41.81111967960283,52.544449524361845,5.838272169373537,26.272224762194256,0.06822673905855597,0.007580748784283997,-2.4164268503977295,44.11417305852316,4.901574784280351,3.4081030038301736,29.46,147.20880448298897,4.169925001442312,3.4965075614664802,4.110873864173311,4.795790545596741,5.43372200355424,6.124683390894205,6.771935555839602,7.463363045520021,8.11522197256233,8.805824812903607,72.11792275251054,2.833213344056216,0.0,3.8918202981106265,0.0,5.081404364984463,0.0,6.329720905522696,0.0,7.6093665379542115,7.940939762327791,132.115029752,5.28460119008,16.66375611131339,1.851528456812599,5.280988151981704,5.280988151981704,0.0,114.0,6.0,1.121,32.0,1.2274166666666666,2.1124864065259152,2.839514570907218,3.5232628215777466,4.803296013383567,5.608929955999214,6.7648148535009796,7.779399352070274,8.670523219471544,0.0,88.50551999054163,90.01393722318188,88.92446827143505,99.7194578504371,140.078447665796,138.389296910293,127.77630275635155,56.03414681990748,8.809806504469135,0.0,270.464422621127,308.87128051859145,321.35247473361665,384.5274568089912,588.0113322190115,632.0949512546653,613.6705901358724,535.9610707224878,269.5123278365001,0.0,9.473927164166666,16.142722866432425,21.592108653871176,26.241454954464945,35.90563037685951,40.542132489894776,48.66885884819298,56.41069153854526,58.25259811118368,0.0,1.915212968260916,2.3587353449754223,2.5913721536062377,3.14334658938148,4.807683320595258,5.468604351477353,5.557437481284437,5.464586132045041,3.8550265151699463,0.0,180.88856598556163,338.3602745113302,476.7077109331368,596.5219296309115,794.4640533941385,922.5514632042499,1149.5249030884158,1348.1841036836795,1603.3327955664106,0.0,3.263118055555555,5.1721642720795975,7.214606215601584,6.976601844129683,10.311214654132577,11.05200842233886,13.948225385175192,16.092456132480965,8.670523219471544,0.0,0.43758496250000006,0.5648161293464246,0.634712493841273,0.7543683066892459,1.1181459263416453,1.238560739626633,1.2949391356675983,1.3007988916694442,0.8878615776738862,0.0,399.6452739555049,381.3055782475395,15.848237548425022,178.6606234262456,-170.4618990019514,-22.832730459707253,220.98465052925928,551.7674772494909,38.680968008132275,0.6910620759097871,0.6593492820562272,0.027404592656199912,0.3089379240902127,-0.29476078278590734,-0.03948209859709409,231.1172187892138,220.51126460511063,9.165129237361088,103.32049215729796,-98.57912147172084,-13.204302678176633,0.22032529539755416,0.40919620249996264,3.3874625396724376,12.888708254339367,524.9402683863051,53.36562899544553,0.907720759485498,0.0922792405145021,603.4475424346638,24.565169293832756,8.450450088345093,766.7840157254337,27.690865203626878,9.152878211961868,1006.3173619778119,31.722505606868634,10.021013684833951,2.5696090649784753,2.5696090649784753,1087.5737667907456,1037.8647302968177,87.14972349758978,1.047895486803672,12.479371398359326,11.908984775212982,4.685846237155529,5.411850691895179,9.824481952253748,0.8153645604020365,4.89784590284695,5.8908862788763585,6.373918349475164,18.40581374316471,6.824280610166643,4.2894149170556455,9.00195114664297,9.868035892711244,4.894853619348054,3.482028641953499,4.664277150471606,1.6468454743910357,7.695294815685378,1.120531219273985,3.3158790469851835,1.5958670363306457,3.8579329194073075,0.1939574547008221,0.09186960489590795,3.0416062797015E-20,1.9425172868256347E-60,2.392779577919285E-122,5.684815826974291E-206,2.604989697014E-311,0.0,0.0,0.0,0.0,0.0,0.0,0.43094755737285134,6.2718380470502195,0.5991512276447618,4.830042846573377,0.1732713118914531,0.939229422367533,1.6856531789867708,0.3246847473440937,0.8765174481585751,0.3072673123860386,2.78482782618779,0.11877210925808755,0.3049314547739878,0.08439151826559271,0.11210779877350527,1.029544609173733,0.09830730622766005,0.0013662411855806201,6.470451390263268E-4,2.1422281725742645E-22,1.368130808159294E-62,1.6852542213590174E-124,4.003862268996743E-208,1.8347155434E-313,0.0,0.0,0.0,0.0,0.0,0.0,1.2717014799208568,5.563142803924384,1.3158566084842527,5.7818559391652915,0.7538332763017394,1.2717513589814171,2.0722885232000987,1.2980478555162576,0.9169074903306682,0.6946027377256014,3.1599893465920905,0.27125288955992943,1.048224773994602,0.1322614246352629,0.4143003981889012,1.113871999606503,0.46591148391656684,0.014235849903463162,0.006742709223078752,2.2323669224826556E-21,1.4256977855417467E-61,1.7561648324395344E-123,4.172333183698164E-207,1.911915053517E-312,0.0,0.0,0.0,0.0,0.0,0.0,4.846125139424478,6.270527997519224,7.187182665212863,17.826012399843247,6.2816279290540535,4.03791026219704,9.303645173675159,9.070991033468736,4.726304087894573,3.862645563795802,4.546279936703943,1.6750592572860032,7.265738640447102,1.0257778931325454,3.1278521462295137,1.550134684711036,3.486329831645803,0.17281272620501315,0.08185416398392119,2.710016435526224E-20,1.730747930369182E-60,2.1319235254173472E-122,5.065068555010958E-206,2.320998920997E-311,0.0,0.0,0.0,0.0,0.0,0.0,1.8073530699472184,5.293842350449298,1.6077722855478687,6.898106974482251,1.34904106298312,1.5898413994735394,2.508003554308114,2.222158226295743,1.1742842297822738,0.8687411901931992,3.4200451678643207,0.38101033464504935,1.7112527191626759,0.21507570634051973,0.6925860807133315,1.1810450985829448,0.8369737443562886,0.030921718024178375,0.014646065438021999,4.848999259295937E-21,3.0968061013838557E-61,3.8146246864428894E-123,9.062865209805335E-207,4.15293497899E-312,0.0,0.0,0.0,0.0,0.0,0.0,6.095488444449861,6.131440408591423,8.81618250122019,24.065805154250196,9.693994295427698,5.643325294762031,12.17990774635932,13.733290821963108,6.78390977204151,4.819629543345562,5.1047138836846875,2.297066650079906,10.75574345679023,1.6009295266336816,4.6782504191220315,1.777754890681294,5.394408095832926,0.28286812244687687,0.13398318469071496,4.4358969040024286E-20,2.832978902005251E-60,3.48964413720702E-122,8.290769615709124E-206,3.7991326520663E-311,0.0,0.0,0.0,0.0,0.0,0.0,4.330462194799801,7.103594017550199,7.045304622077865,14.128535020450377,3.763152229114681,2.559685464386491,8.617125066848072,4.770770911641552,4.070961893968989,3.369387279545992,3.8252079046678507,1.7111457428759802,4.8668423163315415,0.6790156907640434,2.1011616855276456,1.8907257516977691,1.8247380646495766,0.07399332793768708,0.03504714166011714,1.1603359596439116E-20,7.410468196281184E-61,9.128164306768207E-123,2.1686883907401926E-206,9.93772021093E-312,0.0,0.0,0.0,0.0,0.0,0.0,9.477417995985832,0.809663884488596,0.539922128778009,0.8753500033699729,0.07478189569309121,0.5836617120219254,0.4447954578943837,0.43615169750366845,10.827004009252438,13.227746217371452,28.19785513756357,0.8130250050549593,1.4646088674199773,7.823132232293326,0.5495759685019563,0.14259415897190703,0.9187145566616396,0.06453980672472351,0.4044169799513633,0.19411904177677505,0.028732298837372928,8.515302359767189,5.493304757491068,14.621677224800044,0.8780718349924593,0.6272683205655113,8.763145806650387,0.5941346014404854,0.30614217116048065,0.9068366548996853,0.06148283349588488,0.5001524621255303,0.24721623668045636,0.14358927097753377,9.663422579251353,8.071146281489456,19.328494444408793,0.8602549823495281,0.8909579697835204,9.302242176781906,0.8208754597986386,0.5178577384659037,0.874190743697807,0.07714287749632684,0.5628627497324038,0.45423804660013206,0.39045784644574005,10.640975375046448,12.87831712952804,27.473645041859243,0.8112861155467105,1.4075586427782758,9.157554771191709,0.6263478241006102,0.3852558586668566,0.9005223797674607,0.06159288666180171,0.5449837512236964,0.2803395805652189,0.23726667384062713,10.169158453959176,9.505120300480316,21.884034896724046,0.8507835696511911,1.0625900056295423,9.521931117266423,0.8429526249423133,0.5654819359744974,0.8711447903588426,0.07712025834824794,0.58918444595116,0.478318182558752,0.47217221999753983,10.930365678183234,13.887691354514414,29.356918618394655,0.8067171855382639,1.5396748485074518,9.405383122791743,0.8275226483613198,0.5225806899025773,0.8744730567833948,0.07693958347283339,0.575360468196477,0.4601717133472365,0.39594908265697415,10.755486461055641,13.130686508222716,27.953506037511573,0.8117095851750922,1.4314812642006878 +UMLCN0160,L,diethylene glycol dimethyl ether,COCCOCCOC,Ethers,,C6H14O3,NREL (2014),Blend,PubChem,,109,0,-0.2112999999999987,0.044647689999999456,35.0995,22.301101999999986,0,0,23,9,14,0,6,0,3,0,0,0.0,0.0,0.0,0.0,0.0,1647.7136249999985,1611.0114079999994,1534.2435509999984,1395.6361659999986,1147.1046849999982,902.8757720000001,734.1393469999998,517.5916260000001,253.218841,3625.446163422075,4269.723445140849,4858.389917581261,4637.9407905644675,4197.0339156168375,3353.250468005653,2663.1802443937922,2125.830101027993,1288.603618673293,179.35674000000006,174.9311840000001,319.47913199999994,286.02940000000007,283.28885200000013,292.7002880000001,164.36759600000005,171.86565600000006,144.989092,24.887592667885983,29.203460340000014,34.56529533249,35.866675466792024,35.30386405758402,26.95059519697997,21.273970663395993,19.14947795818799,11.332862774188005,3905.9671222869865,3317.3643506506014,6660.4931576217905,5982.611093708793,6455.055960970186,6722.96136730808,3450.673189993097,4056.9239582499886,3456.9118405578884,67.75,63.5,100.25,94.0,71.75,77.5,53.25,43.0,37.0,71.6397228260869,73.22779127272725,39.33957823076919,38.76767127777774,29.412940641025596,23.759888736842107,34.95901652380952,21.566317750000007,13.327307421052632,157.62809406182936,194.07833841549316,124.57410045080157,128.83168862679076,107.61625424658557,88.24343336856982,126.81810687589487,88.57625420949971,67.82124308806806,7.798119130434785,7.951417454545458,8.191772615384613,7.945261111111113,7.263816717948721,7.7026391578947395,7.827028380952383,7.161069000000002,7.631004842105263,1.0820692464298254,1.327430015454546,0.8862896239100001,0.9962965407442229,0.9052272835277955,0.7092261893942098,1.0130462220664758,0.7978949149244996,0.5964664617993687,169.82465749073853,150.78928866593643,170.78187583645618,166.18364149191092,165.51425540949194,176.92003598179159,164.31777095205223,169.0384982604162,181.9427284504152,2.9456521739130435,2.8863636363636362,2.5705128205128207,2.611111111111111,1.8397435897435896,2.039473684210526,2.5357142857142856,1.7916666666666667,1.9473684210526316,0.4990604075420329,-0.07976331251017087,-0.331480743659762,0.1987936277072753,0.03862073124626515,-0.17569587127534586,0.10560582503173635,0.040213438769572445,-0.08218358843805633,864.9775108695644,35.7461802117202,-326.7162685179587,-264.1725010132326,125.35698722117212,57.86749317202259,-221.51562270699435,106.93851248393202,23.279161368620066,1001.546252046711,-272.2750876453091,21.839531050754033,-239.18076277523483,-235.0954693076302,389.2116181250138,-271.20692097187157,-112.80622221700958,287.36282857360607,2.791388869565214,-0.067880831758033,-1.940597126654061,0.6173906389414003,0.503703047258976,-0.9645395236294876,0.32193433648393244,0.38368813610585756,-0.5632603705103971,4.298655265520606,-2.408925526711532,0.8809581017525319,0.2529491578131354,-2.2845511153746854,1.9937363275904672,-0.48014293763959803,-1.2943442396969833,1.701940711768971,24.317327965285795,-15.237523916065271,5.2567600372941286,4.04889815279365,-14.364822406741794,10.802526123613191,-1.1292869348035026,-8.255699868925902,9.707621495254259,16.0,0.5,-11.5,1.0,5.0,-5.0,0.0,4.0,-2.75,0.02169827858878404,-0.003625605114098676,-0.008499506247686205,0.005522045214090981,9.90275160160645E-4,-0.004623575559877522,0.0050288488110350645,0.0016755599487321851,-0.004325452023055596,37.6077178638941,1.6248263732600092,-8.377340218409199,-7.33812502814535,3.214281723619798,1.5228287676848051,-10.54836298604735,4.455771353497167,1.2252190194010562,43.545489219422215,-12.37614034751405,0.5599879756603598,-6.643910077089856,-6.028088956605902,10.242411003289837,-12.914615284374836,-4.700259259042066,15.124359398610846,0.12136473345935714,-0.003085492352637864,-0.04975890068343746,0.017149739970594453,0.012915462750230153,-0.025382619042881253,0.015330206499234878,0.015987005671077397,-0.029645282658441952,0.18689805502263504,-0.10949661485052418,0.022588669275705946,0.007026365494809316,-0.05857823372755604,0.05246674546290703,-0.02286394941140943,-0.0539310099873743,0.089575826935209,1.0572751289254694,-0.6926147234575123,0.13478871890497765,0.11246939313315694,-0.368328779660046,0.2842770032529787,-0.053775568323976314,-0.34398749453857924,0.5109274471186452,0.6956521739130435,0.022727272727272728,-0.2948717948717949,0.027777777777777776,0.1282051282051282,-0.13157894736842105,0.0,0.16666666666666666,-0.14473684210526316,-0.16709183169824224,-0.3917133892860813,0.25449231797334176,0.045638420398589764,-0.21308490168743036,0.23176257003329767,0.07722086993565892,-0.19934539992916517,0.043204599096930314,-0.2227558781611686,-0.19512284831275112,0.08546867255419721,0.04049245352233462,-0.2804839959771788,0.11848023774330116,0.032578924991812586,-0.2842117649695397,0.012859838887987352,-0.15257401389181158,-0.13843199524595642,0.23521175641589767,-0.2965775678692948,-0.10793906196248795,0.34732321693299656,-0.025423302673598665,-0.40999472635187567,0.14130744147629667,0.1064185812640153,-0.20914328503330362,0.1263151663771312,0.13172694583827482,-0.244266038522382,-0.585862784057668,0.12086091143629213,0.03759464213770635,-0.31342345280405237,0.28072387086400036,-0.12233380068423076,-0.2885584335312787,0.4792763997697064,-0.6550941230987161,0.12748689079820333,0.10637665642193052,-0.3483755264671611,0.2688770363319672,-0.05086241684189577,-0.3253528671275762,0.4832492821787186,0.032670454545454544,-0.4238782051282052,0.03993055555555555,0.18429487179487178,-0.18914473684210525,0.0,0.23958333333333331,-0.2080592105263158,1.1604223102665525,1.9623327381769426,0.9414800920257991,0.4260212381126924,1.3276151696709348,0.8201456684157938,0.32422304201366325,1.312698866942351,1.0349107158867967,1.3624786897725758,1.2338282412354877,0.731332252913315,0.9247914447431157,1.2775110314537081,0.6583577793571945,0.902498994702439,1.676645401377202,0.8750016967230534,1.165225505520082,1.1799951619041555,0.5213695062698815,1.351990193095177,1.0617701656531997,0.2894219107532582,0.9455522405988217,1.9478530719592222,1.0240077292502068,0.37636061100883306,1.3504365209679152,0.8910719706852614,0.30968705558199333,1.4035213572185203,2.164686726237409,0.7428158225244196,1.0119318477049655,1.3863766990667854,0.38487494627873686,1.235281461968915,1.233738532473122,0.014772570459560343,2.2595140422122117,0.7652481952794215,0.9617494723819147,1.3992808211170822,0.39270688177385815,1.1776382192579116,1.2399561130123742,5.4915732410243475E-5,0.890625,1.8685897435897436,1.0885416666666665,0.3525641025641026,1.3026315789473684,1.0148809523809523,0.28645833333333337,1.356907894736842,45.05881591417404,22.904407957087003,36.6519150290768,45.64214924750735,5.071349916389705,22.90440795757219,0.7499999999999645,2.7755575615628914E-16,3.0839528461809905E-17,-32.23845885402265,2000019.5128099695,222224.39031221883,13.05780074539345,45.08941524102386,22.91860598915998,36.67439395738749,45.67103492558749,5.074559436176388,22.91860598963802,0.747796737296099,2.7755575615628914E-16,3.0839528461809905E-17,-32.23845885402265,2000019.5119809567,222224.3902201063,13.057800745020398,72.14820888200735,35.475612723916626,56.62193585914568,71.21722176653861,7.913024640726512,35.475612723916626,-1.1969834341741006,6.106226635438361E-16,6.78469626159818E-17,-31.528847229694808,2000019.234123251,222224.35934702787,13.05780061998564,45.12152962117377,22.933507010915296,36.69798617164071,45.70135082168463,5.07792786907607,22.933507011385952,0.7454844006568209,4.996003610813204E-16,5.551115123125783E-17,-31.709450855610744,2000019.5111134164,222224.39012371295,13.05780074463001,100.71843615380365,48.7357766803931,77.75423167757046,98.19308287034562,10.910342541149515,48.7357766803931,-3.2468827930174555,1.1102230246251565E-16,1.2335811384723961E-17,-33.06312051270939,2000019.2240668535,222224.3582296504,13.057800615460305,48.26240839615081,24.390905476892854,39.00674456822965,48.66638816320018,5.407376462577798,24.390905476995687,0.5194025576348977,1.2212453270876722E-15,1.356939252319636E-16,-30.905014767190856,2000019.437455671,222224.381939519,13.057800711484346,38.906771327265446,20.03178050350844,32.49417030102643,39.73904601583523,4.415449557315025,20.031780514419182,1.460317460317473,0.0,0.0,0.0,2000020.0080037205,222224.44533374673,13.057800968228436,0,11.996355202902862,15.998702141315626,-0.40876453797648055,0.07406945704623921,4.203655429401097,5.971190344833375,8.0,22.0,22.0,22.0,8.0,0.0,0.0,0.0,0.0,0.0,21.052897999999995,3.429264475045745,3.2082070237155786,2.8388125540103255,2.5562638941995206,2.0376249530163184,1.6421557597133964,0.8281485006742573,0.7656731376394474,1.699282184077397,1.5716029612878715,1.3774116753883001,1.3097350347098253,0.8184831592778599,0.707163634273163,0.08392307051869093,0.0839230705186911,3.3172633004255516,3.1091755191397326,2.7319584562536394,2.5883285938307163,1.9851467105696938,1.6786018027211307,0.5223659952789239,0.5176513710347171,1.7252070815188165,1.5720944683733238,1.3322807818427427,1.2117978832458163,0.7514461036858439,0.5823241250114892,0.27091390189293696,0.2709139018929371,3.553948252857994,3.3603822391574876,3.0414327038482365,2.8471238170879527,2.3541934347441065,2.072382275773767,1.1562153822572452,1.1528756840996646,1.4542553782433008,1.278327845057302,0.9789518602183661,0.8802381025721542,0.31243226434426385,0.11178000585286031,0.9439184268026214,0.9439184268026215,3.2976609822623644,3.0992096577233434,2.7323852517392977,2.622658946621717,1.99589400926751,1.730621884742064,0.44368090360140194,0.4436461095182502,1.7356095813071986,1.5705495486156562,1.3088671232954137,1.147642516635368,0.7067885812039586,0.499873275869322,0.39927724550898164,0.39927724550898197,3.58081913848454,3.400868596922987,3.106794267093502,2.95657105197811,2.4581526563096636,2.226933860134878,1.2085945590450837,1.2085945586945797,1.4189037767953443,1.228448844755008,0.8986264197783415,0.7744704261860063,0.20363921731806717,0.042271745291923055,1.2076448229620864,1.207644822962087,3.70109726542048,3.543081799040431,3.2622765315851114,2.7491392935515795,2.364468336545962,1.9501581564201413,1.4353975787625128,1.3253013151705804,1.5077934328751363,1.3495553818792985,0.9988231187439878,0.966664096385067,0.47121160951875823,0.3514610859183747,0.5999999999999994,0.5999999999999998,0,0,0,0,0,4,0,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.949747468305834,4.414213562373095,2.767766952966369,1.7071067811865475,1.0303300858899105,0.6035533905932737,0.33838834764831843,0.17677669529663687,0.7721941631450926,0.5517766952966369,0.39539527899519555,0.2845177968644246,0.2060660171779821,0.15088834764831843,0.11279611588277282,0.08838834764831843,6.053171996137779,2.9711971193069777,1.5979709953492836,0.8635900917253427,0.38657986948039036,0.20118446353109126,0.10034367876932762,0.034020690871988585,0.672574666237531,0.3713996399133722,0.22828157076418337,0.1439316819542238,0.07731597389607807,0.050296115882772816,0.03344789292310921,0.017010345435994292,11.937191939751683,23.206846321922793,22.125490196078438,22.52,13.030599999999996,178.9186538922156,0.5190083452065949,1.0089933183444693,0.961977834612106,0.9791304347826086,0.5665478260869563,7.779071908357199,0.29580000000000006,34.570999999999984,27.742189319152196,44.32390805791539,55.48437863830439,6.164930959811599,27.74218931915535,1.2212453270876722E-15,1.356939252319636E-16,-30.905014767190856,2000019.3289432311,222224.36988258123,13.057800662654222,96,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.576874999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.38,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.304922052154195,0.0,2.618202947845805,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.576874999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.756215277777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5888888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6524610260770976,0.0,0.6526388888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.756215277777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.064444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6011111111111112,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6524610260770976,0.0,0.6564625850340136,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.064444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.5,2.2777777777777777,0.6011111111111112,5.064444444444444,0.19777777777777783,0.6526388888888889,2.6897001473922906,0.8473611111111111,1.5644444444444443,8.153749999999999,0.8473611111111111,1.5644444444444443,8.153749999999999,3.99999,0.44444,0.0,0.05556,0.55652,0.95556,0.42414,0.55652,0.95556,0.13238,0.0,-0.13238,0.0,0.46511,0.24918,0.0,0.25,0.0,0.0,5.5,0.61111,5.5,0.61111,0.0,0.0,-5.5,-0.61111,0.0,0.0,6.00393,0.6671,9.36685,3.36292,0.37366,2.76236,0.30693,4.41421,1.65185,0.18354,-2.1E-4,-2.0E-5,-2.1E-4,-2.0E-5,0.0,8.03,3,3,3,3,0,0,1.0,1.3249692858267146,1.5645247207974509,2.284006521086276,2.4579195645645373,2.805745651521059,2.6318326080427985,30.474293574014435,35.98406857834137,52.53214998498435,56.53214998498436,64.53214998498436,60.532149984984365,0.2929039767107846,0.34586123413266506,0.504913283663112,0.5433593235687648,0.6202514033800705,0.5818053634744177,3.1985926702302985,2.9590372352595624,2.239555434970737,2.0656423914924757,1.7178163045359542,1.8917293480142146,0.29711617962461223,0.35083500647455484,0.5121743568262669,0.5511732827771496,0.629171134678915,0.5901722087280324,12.638802705784148,15.513467925432986,18.033699076431855,20.120655598170988,20.471203435388375,18.384246913649246,33.50840094785264,29.512311920648145,27.959454719515726,24.779847159048916,24.05141313323046,27.231020693697268,9.0,8.0,8.0,9,0,2,1.79,1.1301000000000005,0.12499999999999997,2.1840966901672534,0.0,0.0,2.94168275343288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7937005259840998,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.718,0.742,0.6819999999999999,0.08200000000000002,3.848,7.0,6.0,5.0,4.0,3.0,2.0,1.0,0.0,0.0,45.0,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,0.0,3.828641396489095,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.75,8.0,1.0,0,4.0,8.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.0,0.0,0.0,0.0625,0.03174603174603176,0.020833333333333332,0.016000000000000004,0.013888888888888888,0.01360544217687075,0.015625,0.0,0.0,0.0,0.17419869614512473,27.742189319152196,44.32390805791539,55.48437863830439,6.164930959811599,27.74218931915535,1.2212453270876722E-15,1.356939252319636E-16,-30.905014767190856,2000019.3289432311,222224.36988258123,13.057800662654222,27.69,138.70304655768336,4.169925001442312,3.4339872044851463,4.04305126783455,4.672828834461906,5.303304908059076,5.942799375126701,6.580639137284949,7.223295679562314,7.8636512654486515,8.507344855361422,70.57090252762471,2.833213344056216,0.0,3.8066624897703196,0.0,4.919980925828125,0.0,6.09807428216624,0.0,7.311218384419629,7.671360923190644,134.094294308,5.8301867090434785,16.82976753783411,1.8699741708704565,8.331837344581812,8.331837344581812,0.0,120.0,6.0,-0.36,30.0,1.229090909090909,2.0671852283282632,2.8228392313943154,3.5551675415508757,4.712862770342025,6.018183545015512,6.878541698636629,7.856235393277022,9.554055038310599,9.878385349041785,102.02566514772725,89.25910957637637,130.76952117712946,131.6578830561064,133.06495459732506,235.7264582744728,170.0349443185183,118.06347465719962,115.67178510566976,10.03707173128879,255.65540956707673,272.98243636889896,395.4682282999784,439.72384312439374,459.25737679601116,811.8545396524245,650.0490687680413,571.3618312001063,1096.1999477134639,307.05720557986064,9.921835716727271,17.034889848352407,22.637048569127014,26.283955861427483,36.686265253954375,47.5574340583279,49.664227529115884,60.56996592928058,68.00224787044074,66.36757634566466,1.6869438599281814,1.9085483709983806,2.956555402440814,3.5130967534316793,3.549569030981705,6.348562541576329,5.680301939900532,4.872671393177581,10.638863625337597,4.39205760525527,184.64069207906945,350.4545442743353,467.09327585104774,577.1915149673101,827.9097400335135,982.305525148272,1154.7645670447594,1425.2651165204193,1462.9412484553875,1826.6878245355483,3.75615909090909,5.460336555973538,7.820976701824159,7.248706664810988,10.113424436533672,16.02318415977381,13.045384538558485,16.02298024617132,19.108110076621198,9.878385349041785,0.43140068181818186,0.5198340258075632,0.7326008342155317,0.850404373675777,0.9428313822770403,1.5434561544085372,1.3749785156323344,1.3026410164923254,2.292973209194544,1.0115466597418787,445.22844163723033,507.1187583879319,23.24292773563033,80.1395251364298,-91.27956052299598,-30.51221242437019,365.08891650080056,598.3983189109279,53.75514016000052,0.8474601989371847,0.9652639491939362,0.044241235106829195,0.15253980106281512,-0.17374405425506495,-0.05807779376376692,233.90876113275695,266.4239510070508,12.211089686335221,42.10273937913276,-47.95535711995966,-16.03013900315738,0.0619672576570165,0.3349580272626465,0.03507816038307594,16.951201622313135,445.22844163723033,80.1395251364298,0.8474601989371847,0.15253980106281512,710.2425317001278,26.650375826620678,8.922137089162556,845.8610368451542,29.0836902205541,9.457282021294315,1098.9060360689232,33.14975167431761,10.3193779673509,3.0557856172966487,3.0557856172966487,1271.933280712833,1246.5456801727814,45.446229880239116,1.0203663619744225,27.987652310536188,27.429022901519122,4.4159737236518675,5.2896758901539,10.574699514676585,0.9991205008155841,3.904608323245031,4.193680657526705,13.200288767313042,12.083685749183385,7.60646895364956,6.095286821191308,8.50066218530111,6.341184289151315,1.5056221831204386,0.057748597594210006,9.046446515143737,5.251063523759429,4.288555795707982,1.2012451560183972,2.9065453114213704,0.9351598532089773,1.3581777872026686,1.481945099629884,0.6094723482626192,2.121622034575938,2.7892639544338737E-8,1.310877561704509E-37,1.1882575824941808E-88,2.077470969624999E-161,7.005437099348376E-256,0.0,0.0,0.0,0.0,0.0,0.32768743750609247,4.955874799959709,1.3011660899174582,1.4809309616801576,0.3610834033332458,3.7269323970133965,0.6125296770324894,1.702049444264116,0.09666916345873734,0.0063500380592751106,1.499838366393133,0.24025242152337792,3.5709198001968403,0.07296020950337112,0.6110238283425611,0.007017349683786972,0.1214061528981063,0.01084426873336672,0.05114875223523719,0.014942757464549114,1.964501409604055E-10,9.232617851362575E-40,8.368995311726659E-91,1.463179790407523E-163,4.933986629227311E-258,0.0,0.0,0.0,0.0,0.0,1.0578129315150282,3.5384642595922338,2.3862228297130015,2.814433435168743,1.3483148673493786,2.42195793228568,2.04378720259496,1.3335134811687985,0.3307494599456884,0.012071625594961981,2.00530453469465,0.9076341511004725,2.7091685649758355,0.2538769085577401,0.6306098920201619,0.06912656625955535,0.37244304215196944,0.1091469747239277,0.1651144327229328,0.15571505370716443,2.047161932662246E-9,9.621099639697784E-39,8.72113836774936E-90,1.5247461533594525E-162,5.141594480023535E-257,0.0,0.0,0.0,0.0,0.0,3.685631968192798,4.952995776088005,15.891646424101626,11.644751635342006,6.988987030414993,6.668527830326282,7.95447514938856,6.4894830723468235,1.4010894284722963,0.06949022646802235,8.843054605645545,4.818567489946297,4.903784799202828,1.114699703636205,3.4097179799016084,0.8346952641440918,1.2868791564821342,1.3204314086645788,0.5752921535546345,1.890327036094771,2.4851839667685372E-8,1.1679683070388715E-37,1.0587161131564717E-88,1.850989232099057E-161,6.241718332835112E-256,0.0,0.0,0.0,0.0,0.0,1.5590213026635003,2.9998379275937266,2.5424915974389815,3.935304823524675,2.172009789604385,2.3708597985934747,3.079413343958215,1.4243690179876667,0.5071626831808941,0.013213031985622289,2.6225844819493345,1.4713052478491666,2.6528708219166477,0.3927355569733675,0.6195178671828222,0.14921798856413523,0.5439455865965928,0.23660084353878483,0.24334831991667402,0.33823390432946804,4.446709273087789E-9,2.0898314052523075E-38,1.894347791106128E-89,3.311952391783282E-162,1.1168230264542414E-256,0.0,0.0,0.0,0.0,0.0,4.715380028262467,4.674655843744642,19.200317629358068,15.59670818634805,10.090331037356167,8.173148400005845,10.594798320038983,8.952463471993635,1.916749025397554,0.08183062425212287,12.069769230160977,6.9951785320124,5.0339493333834,1.5415229013404645,4.1691011465759,1.363850269576405,1.6422005149372771,2.161088195667579,0.7360262521091061,3.0941863440531665,4.067879338128225E-8,1.911791725410941E-37,1.7329620097511884E-88,3.02979616520875E-161,1.0216771627402387E-255,0.0,0.0,0.0,0.0,0.0,2.4097019894922638,6.359156622035123,14.951423551696923,7.81713281933647,3.4583533939771307,8.018582716680575,4.916801727623139,5.248367722451073,0.7440893355474794,0.0658157647471937,6.38940478844374,2.3663024448375123,7.106581104410137,0.5834623074842671,3.386930320879801,0.34032226958683365,0.991092737664902,0.5339448241995803,0.43881990987247754,0.7637839324473377,1.0041350235961945E-8,4.719159222136233E-38,4.277727296979051E-89,7.478895490649996E-162,2.5219573557654153E-256,0.0,0.0,0.0,0.0,0.0,11.001579414485706,0.6522375414230566,0.43267149130434784,0.9102378629272126,0.053964188545883966,0.5562575520302524,0.4935739068483465,0.5217211651392425,12.08648844721311,12.217917470775607,27.40910212305982,0.8653567943908189,1.5715526240178415,9.221268669198526,0.28099190257534623,0.07476099015762991,0.9628534936010703,0.029340218225286686,0.3907933776561921,0.09160690650309367,0.015576575477258683,9.577021561931502,3.301500236598146,13.072235136754028,0.9442802404016054,0.4979768596365444,10.076853137107868,0.4327909161731939,0.22584747052658272,0.9386485113197527,0.04031402895837716,0.46667625309259375,0.2173185914110683,0.14215179767149858,10.735491523807644,6.734747026919907,18.455197876992965,0.907972766979629,0.8261466421751607,10.83254425199187,0.6247211838436066,0.40476640030128996,0.9132115308434225,0.05266561348625298,0.5392954892867667,0.45280693886699225,0.45659463423853464,11.862031836136765,11.404835956902133,26.006051496159152,0.8698172962651338,1.4486970623922937,10.494100118780835,0.5136882540603396,0.30492726880880855,0.9276375762637173,0.045408040857059594,0.5061232063226674,0.3061539579894017,0.25912804721644456,11.312715641649984,8.747270812106747,21.70375665224266,0.891456364395576,1.0714052115285138,11.077954397181394,0.6743665353690522,0.4529009258562225,0.9076405595651797,0.055252296368915606,0.5640076442168738,0.5276338254219878,0.5716475039120689,12.20522185840667,12.793238757115136,28.38190305384134,0.8614608393477697,1.6632889735509306,10.947239957094277,0.6353765600045085,0.4162409283434233,0.9123568645490167,0.052953088483092,0.5507761417993852,0.46838500803297994,0.48284913472909236,11.998857445442209,11.776778717205532,26.670849749411936,0.8685352968235249,1.5020102845614576 +UMLCN0161,L,sec-butyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC(C)CC,Esters,,C20H40O2,Creton (2011),Unknown,UML,,84.8,0,-3.9848,15.878631039999998,72.6973,63.475719999999946,0,0,62,22,40,0,20,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3437.860981999997,3657.529665000003,4377.229790000011,4223.358077000029,4056.87058,3698.216069999999,3302.271608,3063.230287,2866.473558,10146.469366152547,13120.957392536151,17601.41937428085,18751.486443488917,18059.453444528564,17008.84333335552,15795.845202245646,14729.508431999702,13722.710087044576,446.2523119999996,450.53622000000036,857.742200000001,1179.7849160000032,1122.462448000003,1079.569392000003,1008.6620000000028,957.6743800000027,894.7894800000026,74.84892419395989,98.7599923999999,143.6789877123761,160.64024245858153,154.6488970434874,146.8255662897892,138.06686298324195,130.10870759493966,121.08717873554363,10303.49577437496,8867.230303381,18449.237465886486,27147.819448466922,25726.33490353529,24802.178548539254,23290.67425914342,22365.672186161875,20886.7170311233,151.55555555555554,128.91666666666669,228.8888888888889,281.6666666666667,282.66666666666663,278.25,242.50000000000003,215.25000000000003,203.00000000000003,55.4493706774193,59.95950270491809,37.095167711864505,25.75218339634164,26.005580641025638,24.654773799999994,23.4203660141844,22.69059471851852,22.749790142857144,163.65273171213786,215.0976621727238,149.16457096848177,114.33833197249339,115.76572720851644,113.39228888903679,112.02727093791238,109.10746986666446,108.9103975162268,7.197617935483865,7.385839672131153,7.269001694915263,7.193810463414654,7.195272102564122,7.197129280000021,7.153631205673778,7.093884296296316,7.10150380952383,1.2072407128058047,1.6190162688524574,1.2176185399353907,0.9795136735279362,0.9913390836120988,0.9788371085985947,0.9791976098102265,0.9637682044069604,0.9610093550439971,166.18541571572516,145.3644312029672,156.34947004988547,165.5354844418715,164.91240322779032,165.3478569902617,165.18208694427958,165.6716458234213,165.76759548510555,2.444444444444444,2.113387978142077,1.9397363465160078,1.717479674796748,1.8119658119658117,1.855,1.719858156028369,1.5944444444444446,1.6111111111111114,0.32042309319684437,-0.17305751256685667,0.05939527908274461,-0.04530438447191329,9.23879325006394E-4,0.006674018970790237,-0.01396109964304965,0.002180280750538902,1.066632715031829E-4,1862.3770877419324,-20.785182068673137,-398.1573431217416,28.782652005205065,-73.19339183454508,-190.54645076274605,-219.69439715504612,9.271724432883016,8.07093265348649,3034.7686862162686,-155.33385656032036,-1156.0223363662335,154.17761760602195,-80.88350190964132,-139.00938276778226,-212.55837725277252,7.095895133919157,6.935879777338187,2.293207741935486,0.05870954422475288,0.9836201040582602,-0.2774268012487052,-0.24251251196670676,-0.3944911175858547,-0.3131128324661809,-0.034124986472415235,-0.04369108844952405,13.495788104953514,-1.0420359085323285,-5.811356627824607,0.8266252181541905,-0.3379469342716054,-0.15125304181280708,-0.4832595228994535,-0.027890793720145135,-0.02826239520546836,74.12774690346961,-6.246693019589881,-32.189546145190285,4.595468483616466,-1.9055278297299478,-0.16189105531628822,-1.9283950004828865,-0.2749301246019433,-0.2809087264929806,43.103942652329884,-0.2411550468262204,13.393571511157354,-1.7140131807145431,-0.6002428026361493,-6.254162330905324,-6.827783558792939,-0.9279396462018796,-1.1467221644120766,0.005168114406400716,-0.0028370084027353553,5.033498227351238E-4,-2.7624624677995905E-4,5.922303365425603E-6,4.4493459805268244E-5,-9.901489108545851E-5,1.6150227781769645E-5,8.465339008189119E-7,30.03834012486988,-0.3407406896503793,-3.374214772218149,0.1755039756414943,-0.4691884091958018,-1.2703096717516402,-1.5581162918797598,0.06867944024357789,0.06405502105941659,48.94788203574627,-2.5464566649232845,-9.796799460730792,0.9401074244269632,-0.518483986600265,-0.9267292184518817,-1.507506221650869,0.05256218617717894,0.05504666489950942,0.036987221644120744,9.6245154466808E-4,0.008335763593714069,-0.001691626836882349,-0.0015545673844019664,-0.002629940783905698,-0.002220658386284971,-2.5277767757344617E-4,-3.4675467023431787E-4,0.2176740016927986,-0.017082555877579154,-0.04924878498156447,0.005040397671671894,-0.0021663265017410603,-0.0010083536120853805,-0.0034273725028330037,-2.0659847200107508E-4,-2.243047238529235E-4,1.1956088210237035,-0.10240480359983412,-0.2727927639422906,0.028021149290344306,-0.012214921985448383,-0.0010792737021085882,-0.01367656028711267,-0.0020365194414958764,-0.0022294343372458777,0.6952248814891917,-0.003953361423380663,0.11350484331489283,-0.01045129988240575,-0.003847710273308649,-0.041694415539368826,-0.048423996870871906,-0.006873627008902812,-0.009100969558826005,-0.5489445820359001,0.09739525543624275,-0.0534520378337267,0.0011459311655505969,0.00860922501060794,-0.01915880402392572,0.0031249748964085567,1.6379937328215465E-4,-0.011343525915011102,-0.11233026719157856,0.005842665570464992,-0.015619651660024414,-0.042289609428182176,-0.051870918479604546,0.0022863926554555383,0.0021324420987690663,-0.05202383758021698,-0.20014756621290097,0.019206294232310395,-0.010592572447192302,-0.018932978913675947,-0.030798191034087003,0.001073839847427784,0.001124597482263058,0.02602119061357141,0.2253687415053266,-0.04573543947579094,-0.04202985018338274,-0.07110403720533945,-0.06003852918857864,-0.00683418938588014,-0.009374985598287991,-0.07847770401946125,-0.22625019340191507,0.02315571741445431,-0.009952160041594575,-0.004632402603175647,-0.01574543802281921,-9.491187298180225E-4,-0.001030461709292609,-0.08565075951192225,-0.22816222090827343,0.023436720102442916,-0.01021648700700429,-9.026980088558507E-4,-0.011438992458589033,-0.0017033325663758227,-0.0018646854205516758,-0.005686449850460543,0.16326349406793697,-0.015032977329607025,-0.005534482979186163,-0.05997255945451519,-0.06965227821988522,-0.009886911691335478,-0.013090684469364023,1.649624997045661,0.9403110186578324,1.2207950634812168,1.2397984348465476,1.0840122957364675,0.8968469273858063,0.7533895887128285,0.7901402382984263,1.3129330317120114,1.2329923713499364,0.9941467188317641,1.0215363807676767,1.045543573862142,1.0301058553164013,0.9353556511624144,0.9392242831761468,1.5006815185989322,1.380222172770678,0.9512199005795168,0.9946243777431053,0.9924408571841683,1.0093435820150027,0.9685271867423189,0.9658799814099978,0.7461234186118205,0.6886248026882797,1.2156652236339134,1.1818500366472244,1.2497155029870335,1.0344680750900312,0.737754226433838,0.7804374240192544,1.5752041697496122,1.426614009801115,0.9452687144937871,0.993479198207995,0.9766527252013925,0.9940681055012236,0.9699387265544949,0.9670142544733544,1.587485608000071,1.430970760861271,0.9473145520457436,0.9958937715335221,0.97549478276169,0.989630520448071,0.9669625413591731,0.9646226770842556,0.6276816896723745,0.4873855586906321,0.884370005739594,1.146434927848632,1.6215647347413884,1.2403767900046316,0.72418971857272,0.7703017470084635,302.95712438346635,151.7285621917331,242.8774845748386,303.4116698380118,13.791439538091442,151.7285621917331,0.49999999999982947,0.18371349125869102,0.00835061323903141,-3.727631264846732,213.32991004459677,9.696814092936217,11.798247649959995,302.9820862705005,151.74030871434888,242.89274728297613,303.43529641431627,13.792513473378008,151.74030871434888,0.4985311581972951,0.18357335648180595,0.008344243476445724,-3.729310042761071,213.43212446713255,9.70146020305148,11.799301500657544,325.2703257892658,162.23616841657486,256.86336106727373,324.54488128370565,14.752040058350259,162.23616841657486,-0.7979889561161144,0.059222466660490136,0.0026919303027495515,-6.218199470308291,219.9751325059802,9.998869659362738,11.865731912979571,303.00828467983007,151.7526371401338,242.90876695301404,303.46009340750055,13.79364060943184,151.7526371401338,0.49698960043753004,0.18342628165139008,0.008337558256881367,-3.7310733395636633,213.53980229789136,9.706354649904153,11.800411134419587,349.22601055601183,173.5307110136666,272.6697401441446,347.25820280266765,15.784463763757618,173.5307110136666,-2.1645885286785926,0.07144167159354087,0.0032473487087973122,-5.805522677068035,210.50432047539869,9.568378203427214,11.768913591018213,305.57351296107004,152.9598906664132,244.48182743241784,305.88830238993944,13.904013744997247,152.9598906664132,0.34626837175633796,0.16903402439744442,0.007683364745338383,-3.9108415643599623,226.52625163839866,10.296647801745394,11.930293846856745,318.3035901752935,159.28024252421062,257.5110595013931,319.09895113854026,14.50449777902456,159.28024252421062,1.0862499999998079,0.2535438038956435,0.011524718358892887,-3.018881083781122,186.5475239323222,8.479432906014646,11.503109258597478,0,11.89,15.995924706363358,-0.31265372738349095,0.26177964632587636,4.429045879460596,7.634144075882125,21.0,61.0,60.0,60.0,20.0,1.0,1.0,0.0,0.0,1.0,46.602279999999986,3.6007588472800522,3.5312226071465305,3.4377645689619816,3.3253796469389476,3.20371716165038,3.029583175590842,2.81474282233251,2.6843617977353214,1.9522395433562882,1.8931588148161698,1.8199232926261362,1.7826877353340738,1.6628165297052724,1.5148445418201275,1.430499158965467,1.34760874002975,3.5799898180388263,3.5209727467972045,3.4404513759736433,3.3499614912159847,3.2117295018349763,3.0275629988584907,2.8208669603883747,2.7265504711311395,1.896035552945219,1.843553658804877,1.7851249449739568,1.7179300545221174,1.5999783905537481,1.4545470907738411,1.3430232663640698,1.2746807518280305,3.7105009430155116,3.666891181178828,3.589839151922594,3.49277584118819,3.370248151757033,3.210876269320069,3.034201172209506,2.95719360046076,1.7216615361920848,1.657711321957363,1.5805860037258939,1.5155891293749373,1.3815793714764082,1.2091649652432117,1.0422010983391745,0.9871307360521843,3.597612608131972,3.53142054159278,3.4479362439878067,3.371354916081173,3.2300082044609613,3.0427090677645534,2.8391058203867146,2.7626360800331833,1.8632958729223406,1.8211087565728268,1.7593643903397496,1.6765707623074473,1.5616812896155003,1.4193282133625027,1.2892851085695227,1.2263689466453376,3.7601434124843043,3.710134068437391,3.642920869078781,3.558508681480038,3.434069062059368,3.2761139168448925,3.117996039262036,3.0550769451046547,1.668696801132908,1.6081997434990283,1.5329173777921208,1.4537351094955155,1.3190577265058663,1.1440864900518737,0.9605674709114141,0.8942406524035372,5.121159305027847,3.6104702375083773,3.595259530913963,3.5208583963756728,3.395657328676041,3.2265230203381963,3.069096649178386,3.007029213130011,1.8259343109824173,1.750107857603939,1.6331937560890024,1.5861534989744495,1.4669522608549768,1.284737459209654,1.0913648113240133,1.0432426283618965,0,0,1,0,0,3,16,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5773502691896258,0.0,0.0,0.0,0.22559223176554563,0.0,0.0,0.0,0.8261326131600778,0.9978909578906802,0.9901332600736642,0.3256873575386553,0.28787558515809775,0.2616357304915594,16.46840903736402,10.7019072626078,7.885609803618557,5.302138094834991,3.481970753584145,2.219274001554824,1.3630242179643444,0.9013036674440786,0.7485640471529099,0.5096146315527524,0.35843680925538896,0.2524827664207138,0.17409853767920724,0.1232930000863791,0.08518901362277152,0.06008691116293858,15.50044856791557,9.897316063479238,6.701365793235099,4.391999507549264,2.6537555304326585,1.727432269964001,1.1090344632674631,0.7217057895460063,0.7045658439961623,0.47130076492758277,0.3046075360561409,0.2091428336928221,0.13268777652163294,0.0959684594424445,0.06931465395421645,0.048113719303067085,32.266154284551135,60.41806263656237,57.20784313725481,58.000000000000064,36.931568862275505,476.87414371257495,0.5204218432992118,0.9744848812348769,0.9227071473750776,0.935483870967743,0.5956704655205727,7.691518446977016,6.809400000000009,96.15700000000008,156.6753756143576,249.09291118605245,313.3507512287151,14.243215964941594,156.6753756143576,0.12620750782488266,0.00573670490113103,-4.5536212461601995,354.7947876161353,16.127035800733424,12.91738703041471,608,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,15.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.759118128096148,-0.016274999055464923,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.522749022962717,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.277298028952902,0.0,18.90164350461064,0.0,0.0,0.0,0.07821533739577546,0.0,0.0,-0.016274999055464923,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.49148474978749,5.267633378308659,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.267633378308659,-0.016274999055464923,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2087620296280277,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9600299137385986,0.0,0.5993055555555555,0.0,0.0,0.0,0.07821533739577546,0.0,0.0,-0.016274999055464923,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.49148474978749,5.267633378308659,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.49148474978749,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2724735302948287,0.0,1.4311388872815727,0.0,0.0,0.0,0.07821533739577546,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.49148474978749,5.267633378308659,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,42.00000000000001,1.9090909090909094,0.5559027777777779,11.49148474978749,-0.032251185501888324,-0.016274999055464923,11.857921210990005,1.6829416657221317,4.491484749787491,13.152772486620908,1.6829416657221317,4.491484749787491,13.152772486620908,10.66666,0.48485,0.0,0.01515,0.46667,0.7697,0.42941,0.46667,0.7697,0.03726,0.0,-0.03726,0.0,0.62992,0.08437,0.0,0.17187,0.09375,0.0,12.75,0.57955,11.25,0.51136,1.5,0.06818,-9.75,-0.44318,0.0,0.0,28.75847,1.3072,32.93117,4.17269,0.18967,9.66959,0.43953,10.70189,1.03231,0.04692,0.21211,0.00964,0.21211,0.00964,0.0,21.02,2,2,2,2,0,0,0.95,1.0942658959797504,1.5842772747987395,2.6446961388448753,3.3912691631370087,3.7696932388777555,4.037603466126603,67.84448555074452,98.22519103752185,163.97116060838226,210.25868811449453,233.72098081042085,250.3314148998494,0.18378062108413254,0.26607743383183824,0.4441734872314002,0.56955951506353,0.6331153765121356,0.6781105720486832,4.859930414407126,4.369919035588136,3.3095001715420005,2.562927147249867,2.1845030715091203,1.9165928442602729,0.18378062108413254,0.26607743383183824,0.4441734872314002,0.56955951506353,0.6331153765121356,0.6781105720486832,9.285756372440845,15.294761131817102,19.555482838691404,21.64192639922759,23.463455546647257,23.740880830790164,82.05817974081342,64.10799867337978,55.25586886594371,46.86457475107092,40.28855919220549,37.41818587392101,22.0,17.355371900826448,17.233560090702948,22,3,16,3.44,3.000999999999999,0.29744417462950146,5.6087016448081926,1.4028977327766434,0.0,23.806379905024002,4.5978057022362995,0.0,0.4999999999999999,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.442,0.426,0.519,0.065,10.116,22.0,21.0,20.0,18.0,16.0,15.0,14.0,13.0,12.0,194.0,3.1354942159291497,3.2188758248682006,3.1780538303479458,3.1780538303479458,3.044522437723423,2.8903717578961645,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,5.3471075307174685,1.077319587628866,0.47368421052631576,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.0,0.8095238095238095,20.0,0.9523809523809523,2,10.0,19.0,0.9,2.5,0.8888888888888893,0.625,0.32000000000000006,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407406,0.060000000000000026,0.049586776859504134,0.11904761904761904,0.04040404040404042,0.02976190476190476,0.016000000000000004,0.009259259259259262,0.007653061224489795,0.00625,0.00529100529100529,0.0046153846153846175,0.004132231404958678,0.26707553571418047,156.6753756143576,249.09291118605245,313.3507512287151,14.243215964941594,156.6753756143576,0.12620750782488266,0.00573670490113103,-4.5536212461601995,354.7947876161353,16.127035800733424,12.91738703041471,26.3,369.4201459184577,5.459431618637297,4.465908118654584,5.153291594497779,5.872117789475416,6.5722825426940075,7.29776828253138,8.003363058629947,8.733110697638708,9.44200749423127,10.175078352087965,108.71492793044105,3.7612001156935624,0.0,4.875197323201151,0.0,6.124683390894205,0.0,7.4377951216719325,0.0,8.789203094473724,9.09504174761272,312.3028305200011,5.037142427741953,42.476344959342654,1.9307429526973934,5.409036984432587,5.409036984432587,0.0,1660.0,21.0,9.132,86.0,1.2437377049180327,2.145428577184521,2.872464941008983,3.6135154092295623,4.814364604376462,5.874464872565845,7.125564731010624,8.249933005862593,9.509784684003536,10.666528003019788,86.07390002839345,88.16642682964371,86.76144280941695,115.53163220748226,139.86116759646941,162.43502646766234,185.32704559382796,213.46243969390753,241.7830825345195,270.44975543045615,293.5674318515158,341.58881655141766,359.48365055622475,483.6537581136582,605.234748849702,732.3056854658693,845.4287872393365,974.7427069702267,1104.7288998578788,1232.7736214084466,9.231162115934433,15.66939402673831,20.726718322480394,26.180763896185187,34.7092080730448,42.20732339421649,50.74658514961542,58.815701254448875,67.83532875193846,76.19059006909698,2.152107655757377,2.73665744010886,2.988003206991661,3.994284327597985,5.082366574878829,6.2207227407891414,7.2851075401427705,8.404374344028929,9.546082668084779,10.650422718930413,178.63246953486436,332.1296047669405,471.73478002597705,583.2164427515893,785.3861913938682,955.7634457490898,1168.1832225424027,1352.7842025590348,1564.3592713980936,1756.030145554844,2.698517759562841,4.308620792180231,5.0459096189737105,6.734523817077622,8.95369483869908,10.337324956077602,11.654910248264985,13.61795688066701,15.82591581428777,17.974096874422226,0.4588908196721308,0.6006697343588163,0.665350407451718,0.8847492784958205,1.1259416889135703,1.3694777847811606,1.5986951827473568,1.848435493517884,2.106455591135966,2.357232702219957,792.3712882662488,1155.8137820310394,21.91354243070938,232.80706909580206,-339.5903195886183,-20.365678429288515,559.5642191704468,1495.4041016196577,42.27922085999789,0.7729106672766167,1.1274270215820144,0.02137534632226967,0.22708933272338297,-0.33124998898966107,-0.01986549782585411,812.3218957256454,1184.9152744790008,22.465289433098253,238.6687686779079,-348.1406460119137,-20.87845275870176,0.17941162277206874,0.21428263147700008,0.47394930175481825,1.794142661505367,992.0073277303476,33.17102963170343,0.9676436501087888,0.03235634989121096,1455.1265586753643,38.146121148491154,11.331835354131787,1842.6080019468704,42.92561009405539,12.2596381223801,2713.210332469638,52.088485603534664,13.947439538065671,5.203641190599376,5.203641190599376,16316.24538736109,16214.96880537782,198.3145819615911,1.0062458696775094,82.27456209206626,81.76387558086012,8.679214811030473,12.767576204444865,24.583145743103568,0.925435599479349,11.169248195011807,17.572247386896517,6.593154686002182,77.41499849117696,30.549256848075796,5.571522412467231,16.035225235133264,11.758685976669506,58.80618307074643,3.9589552906075625,7.056864466557529,52.15463793518136,8.080373507585122,58.428362897194944,3.847641654279245,11.048808801779987,29.97987868255829,7.051858871086818,49.14998333209616,4.908232246946121,15.836158190799479,20.67631624546316,8.756168000008941,34.02156801476178,4.981435542888638,17.095446880861676,12.814631582164049,9.035666491034,18.463528422702566,4.909093073482643,0.9538651244591714,17.72264618116102,0.4928259027938927,18.092568026619404,1.2948144755987785,1.8876614624582797,2.831481557545514,0.743322518448578,16.246456943907578,0.16980372462905516,3.8551493770880874,4.304749769518238,0.46308901477957104,12.123134363326512,0.08947783682633018,3.9657194697541343,1.3712014942071071,0.5654677893373653,8.774529439327901,0.11500987458438289,4.205167611669076,0.5638805164004318,0.7853844693924891,5.584661819285115,0.14416414319463297,4.407106000435294,0.28961761816735404,1.0269637340038664,2.934835015137581,0.17241665343199125,3.031775460983813,17.441602621048084,1.5401848841069306,22.023156358461097,3.322053813325905,2.2382618025384717,5.195549087811347,1.9218175254342589,20.34056074299922,0.6506120453764683,3.9633107215118146,11.785086944141398,1.2070371651584435,18.872522340148766,0.44265774308296507,4.588736403281434,4.7735848867229285,1.2223609912916726,14.842810681009073,0.5669042358535736,5.47014895709613,2.383345726352168,1.6278315360298716,9.82419042778251,0.6458545284975558,5.822050773966342,1.4146885979688812,1.9339975947950256,5.217423630104512,0.714437554073755,10.54797428791402,17.72274937715621,6.348241624056263,72.60936445815932,27.80408972253361,5.353890600649325,15.520019030674476,11.598124836079007,56.56340510585638,3.6340797844216617,6.990724481393881,48.78218202394627,7.328551675170227,55.36522277364531,3.4711307854472326,10.792428443586486,27.92737935886803,6.4197133824639305,46.25696644003497,4.428534752226438,15.382011623762725,19.089138004900434,7.992535821252659,31.89856441753175,4.513476741835132,16.75585681502056,11.62542136113562,8.291606350515789,17.285290554646462,4.468824325763254,4.460697465443243,17.334850379948566,2.267634835267339,26.893986021627818,5.772974028629534,2.605571882371551,6.846394555323309,2.8223501115178635,24.31976805266978,1.0648698069469629,4.2156190251530505,17.61702242503827,1.95830304354532,24.222721984072674,0.808012461868641,5.272744724825855,7.699158249013267,1.8714208793936447,19.616382330205084,1.0334456367386498,6.651176510711708,4.196788365336163,2.439157570137179,13.181350380187107,1.1344635850816402,7.081685686118633,2.5908121589326347,2.772777402591669,7.0389079696320085,1.2126604352872745,13.488507788954644,17.66797943333798,8.365392862729088,104.41754729297772,44.04443833417813,6.9000480133143,19.528463852791837,16.316172812581165,75.25020959137926,5.3214218106119695,8.299191119293207,66.44405721045166,11.194457149661648,73.23164401101059,5.407962161091921,13.515851210020495,40.73683986460562,9.662693151828705,61.85185956603286,6.895820233579776,19.78203227610267,29.261561588671125,11.903409281391085,43.05915076336407,6.90917018203923,21.407759533623437,18.125204635177287,12.092381973848905,23.45753261114916,6.709856279483452,7.29527513116354,17.153686957608432,4.295341097774863,50.2492727877668,15.825970955596093,4.128080401974959,12.10053971107191,11.523090121800823,48.48612870487004,2.081732237012317,6.025037551862484,31.95072620253536,3.793933934342282,40.064894785357254,1.7146201455766092,8.583549752926126,18.740330563129568,3.4281226647897967,31.699770984259676,2.189524745564277,11.759068641954904,12.285795024709364,4.3554858834914665,21.391258812592028,2.2941180332233793,13.225969800154354,6.214461943502355,4.706404935319891,11.708869380415432,2.3403592139788656,54.980178112064316,0.9167112275362768,0.5716161010268634,0.9736432314446855,0.01623402674434393,0.5657150974243638,0.516364850256986,0.49081726344267246,56.46850544062745,82.35250851110615,167.63100651658183,0.9604648471670282,1.572897211124022,52.243413172398995,0.47998904201486625,0.15622425734786868,0.98796864989766,0.009077012718143639,0.5107999643645272,0.14934659881534695,0.037819743652186454,52.879626471761725,33.312940196006416,90.11008767571215,0.9819529748464899,0.6979663068320606,53.27253320630177,0.6300919234376845,0.3212604051127617,0.9824551059156584,0.011620191309099292,0.5311175139184305,0.24590759766591694,0.15616285522782092,54.223885534852215,50.883372100178036,115.89087487295161,0.9736826588734876,0.9331879668121684,54.89314309424641,0.906712211188385,0.5562750530506371,0.9740403172657021,0.01608897213880234,0.5639240905279843,0.5094954156487844,0.4687229708886998,56.35613035848543,80.8123506243132,164.85556043477723,0.961060475898553,1.5421424770654686,53.77323692955977,0.7080163346679582,0.398099273899003,0.9798445944164793,0.012901324485854182,0.5411505359167151,0.305929555707034,0.23640537931669606,54.87935253812673,59.761277479695345,129.7971969918879,0.9697668916247191,1.0834854709404451,55.196833934991886,0.9544898199817446,0.6025694845761677,0.9725647137900163,0.016818050101919602,0.5701826839513712,0.5607336505805132,0.5463561738892558,56.7538932395498,86.51989029947664,175.0200460130617,0.9588470706850244,1.6772725084211402,54.994576889715916,0.9123164669975529,0.5597988195634728,0.9739294931255155,0.016156718798924788,0.5660110880414249,0.5167307114892826,0.4750896393273466,56.46669217627694,81.46907099860006,166.0222459894049,0.9608942396882734,1.557831438858054 +UMLCN0162,L,butyl decanoate,CCCCCCCCCC(=O)OCCCC,Esters,,C14H28O2,NREL (2014),CFR,PubChem,,55,0,-2.5341000000000005,6.421662810000003,53.554899999999996,44.91420399999996,0,0,44,16,28,0,14,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2560.0834879999975,2646.6598830000016,3050.032595000001,2865.3278859999973,2696.760884999997,2456.124191999996,2269.4897989999977,1924.9745049999963,1685.9331839999963,7232.363022485372,9203.016585593943,11983.073704796105,12249.126429795846,11282.020368367926,10363.286437341254,9621.962793500463,8748.256787559725,7681.920017313764,320.387648,319.88154000000014,601.2016040000009,793.7945200000019,722.9781000000012,659.9533680000006,590.8061960000002,568.4677000000001,517.4800799999998,52.78016933577205,68.66406067999999,97.41720623443288,104.56524836875178,94.83480386195983,86.68405867856384,80.73672160146985,74.91616096746992,66.95800557916806,7323.7178135439735,6268.993594286201,12904.070116061228,18299.61683584263,16451.359626099358,14977.917227719017,13339.186677107973,12937.988173873322,12012.98610089177,124.77777777777777,96.5,170.58333333333334,197.66666666666669,196.41666666666669,181.25,167.33333333333337,155.58333333333334,128.33333333333331,58.18371563636358,61.55022983720934,37.195519451219525,26.048435327272703,27.24000893939391,27.290268799999957,28.018392580246886,24.67916032051277,23.415738666666616,164.37188687466755,214.02364152544052,146.1350451804403,111.35569481632588,113.95980170068613,115.14762708156948,118.78966411728966,112.15713830204776,106.69333357380228,7.281537454545455,7.439105581395352,7.331726878048792,7.216313818181835,7.302809090909103,7.332815200000007,7.2939036543209905,7.288047435897438,7.187223333333331,1.1995493030857285,1.5968386204651162,1.1880147101760108,0.9505931669886526,0.957927311736968,0.9631562075395983,0.9967496494008624,0.9604636021470503,0.9299722997106675,166.4481321259994,145.79054870433026,157.366708732454,166.3601530531148,166.1753497585794,166.4213025302113,164.681317001333,165.8716432547862,166.84702917905236,2.8358585858585856,2.244186046511628,2.0802845528455287,1.796969696969697,1.9840067340067342,2.013888888888889,2.0658436213991775,1.9946581196581197,1.7824074074074072,0.29981399250142465,-0.16298776840384666,0.034759036233577796,-0.00853036247037246,-0.0074337768281127915,-0.015485134735206955,0.021128998856996862,-0.01681785694611885,7.54080336994495E-4,1374.7290021818199,-19.3203825867785,-312.58695342975386,130.37995581818126,-32.384218636364466,-78.64839937190166,-123.03191174380243,-231.4276550495877,6.758064793388247,2133.8080800908238,-153.93994964664492,-836.5188146982526,148.79690585603456,-0.18657157573232297,87.56012591124953,-159.85348588329236,-213.52257495118448,9.158350092779138,2.1713847272727267,0.048290380165290823,0.8385811900826466,-0.08954618181818122,-0.3340712727272701,-0.4928971239669392,-0.2768800661157005,-0.4176300165289235,-0.0983270082644632,9.469043725008012,-1.0478744358809748,-3.958818611616971,0.268725526589999,-0.03169359825900277,0.8383522491719956,-0.6623745534689998,-0.49003645529900275,-0.04125233944800512,52.24324736252617,-6.305078058979103,-21.45273724710143,0.6995567526128554,-0.3874618218020829,5.113424100048537,-3.6290963776775036,-2.0196525722470877,-0.41880155162309984,41.13131313131314,0.3817722681359061,11.187098255280072,-1.3383838383838365,-5.575757575757586,-7.518595041322335,-3.385674931129474,-9.11914600550966,-2.2754820936639106,0.006813954375032378,-0.0037904132186941083,4.23890685775339E-4,-7.754874973065872E-5,-7.508865482942214E-5,-1.7205705261341063E-4,2.60851837740702E-4,-2.156135505912673E-4,1.047333801381243E-5,31.243840958677723,-0.4493112229483372,-3.812036017436023,1.1852723256198296,-0.327113319559237,-0.8738711041322407,-1.5189124906642275,-2.967021218584458,0.09386201101928121,48.495638183882356,-3.579998828991742,-10.201448959734789,1.3526991441457688,-0.0018845613710335653,0.9728902879027725,-1.9734998257196588,-2.73746890963057,0.1271993068441547,0.04934965289256197,0.0011230320968672284,0.010226599879056667,-8.14056198347102E-4,-0.0033744573002754555,-0.005476634710743769,-0.0034182724211814877,-0.005354230981140045,-0.001365652892561989,0.21520553920472754,-0.02436917292746453,-0.04827827575142647,0.0024429593326363544,-3.201373561515431E-4,0.00931502499079995,-0.008177463623074071,-0.006282518657679523,-5.72949159000071E-4,1.1873465309665039,-0.1466297223018396,-0.2616187469158711,0.00635960684193505,-0.003913755775778615,0.05681582333387263,-0.04480365898367288,-0.025892981695475485,-0.005816688216987498,0.9348025711662078,0.008878424840369908,0.1364280275034155,-0.012167125803489422,-0.05632078359351097,-0.0835399449035815,-0.04179845593987005,-0.11691212827576486,-0.03160391796755432,-0.5562721747276298,0.06220920517586013,-0.011380873052923873,-0.011019835281633411,-0.02525069044252194,0.0382820053354793,-0.03164294016721278,0.001537042580177632,-0.014380793435179251,-0.12200919926835246,0.03793619123805679,-0.0104696896899414,-0.027969387799918692,-0.048614781155527614,-0.09496339526592014,0.003004176443716399,-0.07382104789336628,-0.2103580722260763,0.027893212561028665,-3.886043037288875E-5,0.020061397773833502,-0.04069437787861829,-0.05644773452100636,0.0026229020094930867,0.02275663618773888,0.2072273922842126,-0.016495682353012,-0.06837854174216608,-0.11097615463814564,-0.06926639238219837,-0.10849581845685159,-0.02767299894763437,-0.11323673645910132,-0.22433565571701566,0.011351749316788444,-0.0014875888294259597,0.04328431798374139,-0.0379983882073535,-0.029193108508712172,-0.0026623346272468284,-0.12349362084081934,-0.2203389996877429,0.0053561506064773775,-0.0032962203313912112,0.04785108799503071,-0.037734273706263796,-0.021807434493785496,-0.004898896880805888,0.00949764700507154,0.1459431453351861,-0.013015717092337894,-0.06024885396201712,-0.08936640471512793,-0.04471367241504761,-0.12506611757594097,-0.0338081204977079,1.616882048647852,0.9629728811151134,1.040846739317605,1.2393641578627155,1.3554833178853711,1.154441136813823,1.0750402805679855,0.9041836337494145,1.2502684814768152,1.203158034781312,0.9236897714406677,1.0208238540435781,1.0540050773645941,1.0643197576736816,1.098577073284076,0.9384920634920628,1.5012862824363424,1.3610252212000682,0.9245840332954842,0.9526507434645499,0.92738156123588,1.0272874506924816,1.0149650342432592,0.9384920634920638,0.722451429402067,0.7084954704616995,0.9956416919040185,1.3223840293170832,1.4749535445165445,1.2281302232543512,1.307856682407409,0.9384920634920638,1.6073509036281406,1.4012435521136488,0.9369803155889257,0.9495987593449955,0.8990597394787183,1.0256295827756852,0.9850836612484327,0.9384920634920625,1.624616759426722,1.4006769843228257,0.9422260706927317,0.9560186774288714,0.9012123716088476,1.0291169456854456,0.981682542642208,0.9384920634920628,0.5814710216110017,0.5032382061910009,0.8569376227897835,1.3164702030124422,1.4558611656843479,1.4665090864440073,1.5994219434789172,0.9413729944335294,156.41804433890246,78.45902216945119,123.63130013937375,156.85554433890238,9.803471521181399,78.45902216945119,0.49999999999992895,0.14527865240677768,0.009079915775423605,-3.0865626240105275,114.8261323554467,7.176633272215419,7.589470546782528,156.439865664268,78.46919841123268,123.64606833443742,156.87608042769068,9.804755026730668,78.46919841123268,0.49853115819735194,0.1450823912509071,0.009067649453181694,-3.0887255718582067,114.89446619229321,7.1809041370183255,7.5904224347966665,175.8639972825016,87.53300416319267,137.33683239115084,175.16575694589983,10.94785980911874,87.53300416319267,-0.7979889561162423,0.017708549262246742,0.0011067843288904214,-6.453932394955601,118.06677320107018,7.379173325066886,7.63400054240697,156.46276777250006,78.47987868646894,123.66156951247642,156.89763367288313,9.806102104555196,78.47987868646894,0.49698960043780005,0.14487643694095342,0.009054777308809589,-3.090998494213406,114.96652039386578,7.185407524616611,7.591425534348308,196.61991183884652,97.22766165508409,153.02394755266698,194.72589687625305,12.170368554765815,97.22766165508409,-2.164588528678337,0.1601210691257322,0.010007566820358263,-2.9309201085632006,280.155985868622,17.509749116788875,9.016554464702125,158.70441041127108,79.52533939151384,125.18638891634727,159.00739523655807,9.93796220228488,79.52533939151384,0.34626837175659375,0.12485675184656675,0.007803546990410422,-3.3289410944807543,124.16567797770308,7.760354873606443,7.714586858438597,159.22029152183876,79.76924752121354,127.10238216980665,159.97122324675186,9.998201452921991,79.76924752121354,1.1769841269842374,0.24948395215023556,0.015592747009389722,-2.2213770974373155,100.76126161846582,6.297578851154114,7.380406355889426,0,11.889999999999997,15.99592167827034,-0.3156725908043287,0.2615031900259113,4.308739651831598,7.535013780907086,15.0,43.0,42.0,42.0,14.0,1.0,1.0,0.0,0.0,1.0,33.48379599999999,3.5825531368152492,3.462639505582466,3.3216591482680515,3.16895602949195,2.878598181344331,2.6811436383680096,2.4340916940482535,2.0643333767517134,1.9273056147428056,1.826178231737338,1.785800669991506,1.5910284065409297,1.411503099342893,1.318557978321622,1.0835761136701525,0.9137693342714971,3.555403553349716,3.4389297983763827,3.3474531454433194,3.147892373383752,2.8692487352362797,2.6965937007146863,2.432404450132167,2.0945104607695413,1.8742242952371575,1.7875648846610424,1.7214945329365787,1.5459349801081383,1.36412457893127,1.2370993464958246,1.0190821128817127,0.8277657316256999,3.693762625665042,3.6016630804267433,3.4936992373298477,3.3299362299215343,3.089980916214788,2.922414060726994,2.6949226450404047,2.4112961002753917,1.6946508243297627,1.5786711863329124,1.5169524586464749,1.3091674442556196,1.0724913865161008,0.9424741814199041,0.6828003835005793,0.42514183915015064,3.569708698435366,3.443429987362289,3.3698559417520615,3.1551441507412528,2.879185450159832,2.7253051094942657,2.450465856789445,2.1275523399730654,1.8460669940734522,1.7676412599838485,1.680320582759245,1.5216793747169504,1.3293192869284989,1.1855622089843774,0.978547095223727,0.7657258971346699,3.7393510516726143,3.6464515471769983,3.5604592583299737,3.383738202434398,3.1632434227712647,3.0131374358390115,2.7838817001283185,2.5340990007587885,1.6433057253313714,1.5309077851751374,1.453838101341281,1.2536707057250214,1.003548746339989,0.8530250207493315,0.5968525776133488,0.30973872858514495,5.101271944128462,3.565007670358132,3.538481753525695,3.3860230094039836,3.1848940394771006,3.0757301034463977,2.7363625875738995,2.4890661596128183,1.7946797175326636,1.6353212696108592,1.6067079482081315,1.3577320462397582,1.0964421354157308,1.0305384295137578,0.7482987893421047,0.5274382636696814,0,0,1,0,0,3,10,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.08333333333333333,0.08838834764831845,0.08333333333333333,12.0626316434282,7.808060412490448,5.510949109458356,3.6009536313039,2.3370429081374433,1.495099760268685,1.011082326069491,0.5503810964856393,0.7539144777142625,0.5205373608326965,0.36739660729722373,0.2572109736645643,0.17977253139518795,0.12459164668905709,0.09191657509722645,0.06115345516507103,11.094671173979751,6.964690378025045,4.445343914610401,2.7453948993433333,1.628954933394137,0.9969517906830125,0.6251924732758174,0.3587445040667865,0.6934169483737345,0.46431269186833635,0.29635626097402673,0.19609963566738095,0.12530422564570284,0.08307931589025104,0.056835679388710675,0.03986050045186516,23.015187461835907,43.09104151493084,40.85490196078429,41.44000000000001,26.1402419161677,338.7046131736527,0.5230724423144525,0.9793418526120646,0.9285204991087338,0.9418181818181821,0.5940964071856295,7.697832117583016,4.470400000000005,68.47700000000005,82.7876352006061,129.62198078647245,165.5752704012122,10.348454400075763,82.7876352006061,0.07046848589567889,0.004404280368479931,-4.244143484278335,386.1650977538403,24.13531860961502,9.530023987854868,313,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,11.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.319434475006716,-0.012029452212983571,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.142830128875855,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.329807486708294,0.0,12.029454157164642,0.0,0.0,0.0,0.0,0.0,0.0,-0.012029452212983571,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.230835651792091,5.088598823214625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.088598823214625,-0.012029452212983571,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22109504132231406,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.101327473544111,0.0,0.6030092592592593,0.0,0.0,0.0,0.0,0.0,0.0,-0.012029452212983571,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.230835651792091,5.088598823214625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.230835651792091,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2284800131641833,0.0,1.3462891053035284,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.230835651792091,5.088598823214625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,32.666666666666664,2.0416666666666665,0.5559027777777779,11.230835651792091,0.06863447269020861,-0.012029452212983571,7.670369890773371,1.6786961188796503,4.230835651792091,12.298483923430018,1.6786961188796503,4.230835651792091,12.298483923430018,7.66666,0.47917,0.0,0.02083,0.4803,0.79583,0.428,0.4803,0.79583,0.0523,0.0,-0.0523,0.0,0.60209,0.1122,0.0,0.17391,0.06522,0.0,9.75,0.60938,8.25,0.51563,1.5,0.09375,-6.75,-0.42188,0.0,0.0,17.54257,1.09641,21.30353,3.76096,0.23506,6.75049,0.42191,7.80805,1.05757,0.0661,0.10595,0.00662,0.10595,0.00662,0.0,15.02,2,2,2,2,0,0,0.9285714285714286,1.1433201021277661,1.706357463396531,2.9553846753480846,3.7721854605116727,4.1352347434897885,4.222923165078963,50.30608449362171,75.07972838944737,130.03692571531573,165.9761602625136,181.9503287135507,185.80861926347436,0.209421086661242,0.3125522183612306,0.5413355971451409,0.6909483851092232,0.7574478503170564,0.7735096728133444,4.316111516509531,3.7530741552407663,2.5040469432892127,1.6872461581256246,1.3241968751475088,1.2365084535583346,0.209421086661242,0.3125522183612306,0.5413355971451409,0.6909483851092232,0.7574478503170564,0.7735096728133444,9.968326343312846,16.90636170671984,21.892430390097417,24.2395042250132,25.793270638814953,24.071655583312214,59.01754857028618,43.55853136264102,33.92655876999206,27.540439562365876,23.69643914216688,26.25932081176144,16.0,13.066666666666666,13.0,16,3,10,2.78,2.1556000000000024,0.07142857142857142,3.9810762265871458,0.29814239699997197,0.0,14.538585144685989,3.142210329526412,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,7.3500000000000005,15.0,14.0,13.0,12.0,11.0,9.0,8.0,7.0,6.0,126.0,2.833213344056216,2.8903717578961645,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,4.955827057601261,1.119047619047619,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,0.8,14.0,0.9333333333333333,2,7.0,14.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.16666666666666669,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.01652892561983471,0.1,0.04444444444444447,0.026785714285714284,0.01846153846153847,0.01388888888888889,0.007421150278293135,0.006944444444444444,0.006172839506172838,0.005714285714285715,0.0027548209366391185,0.24510716317451253,82.7876352006061,129.62198078647245,165.5752704012122,10.348454400075763,82.7876352006061,0.07046848589567889,0.004404280368479931,-4.244143484278335,386.1650977538403,24.13531860961502,9.530023987854868,26.3,265.6442381632558,5.0,4.110873864173311,4.77912349311153,5.476463551931511,6.163314804034641,6.870053411798126,7.564757012905729,8.27664912542186,8.975756630519417,9.690974793577944,92.90796668747404,3.4339872044851463,0.0,4.51085950651685,0.0,5.726847747587197,0.0,7.009408932708637,0.0,8.33110454805304,8.648045999835,228.208930136,5.186566593999999,30.649143880869467,1.9155714925543417,5.451281381441944,5.451281381441944,0.0,635.0,14.0,5.826999999999998,60.0,1.241255813953488,2.138859822611288,2.8640287442775856,3.631956718226011,4.928400067550765,5.938140718360087,7.194117627460817,8.253847158720697,9.537705126856343,10.6573753679361,87.6865138768837,87.87701350777759,87.89547608879144,123.3022306853155,155.023352382392,192.60124280128878,199.88535948418007,218.43672869003817,248.63387428922292,280.2109620252005,290.81613131424297,333.14511554986075,350.2749317377255,481.5996601456923,622.0642396791732,779.3586820572194,867.8462440596413,952.4569354197,1073.1203176932881,1186.7877688988572,9.28215257841861,15.756048662097122,20.737186868536227,26.72298043187171,36.28768710006101,43.481372017339346,52.58136168978492,59.56336475897044,69.04351918225466,77.57004253949168,2.1144442092288362,2.6595487063349377,2.895829584397413,3.896319831081748,5.069775625103073,6.379301786657163,7.279730177846172,8.119071379615995,9.145492586932919,10.063907611877491,178.90300159122827,333.3512933897892,472.73285476564814,589.9772479036279,811.473172114491,963.3330226781459,1182.429350170952,1362.91357321339,1583.3524592244044,1773.8022038385197,2.8626763565891467,4.611438617920246,5.264946873092434,7.4684855999999655,10.130826980249191,12.51043736347265,14.553278577494307,15.068770114121739,17.93056521023731,21.617563562060663,0.4569017441860463,0.5914802331606894,0.6542260281485861,0.8886022810773857,1.1586539942580143,1.4429149919759952,1.651198371316811,1.8298727630652165,2.080829682758674,2.3163389473292457,629.885989102559,731.1613436860581,18.533537706976226,227.23119210337796,-263.7662475750656,-22.849071768225226,402.6547969991811,994.9275912611238,41.38260947520145,0.7348890010772264,0.8530471208818112,0.021623108383966964,0.26511099892277373,-0.3077365071645803,-0.026658048945043082,539.8861034606989,626.6909499069393,15.885413597177404,194.76375885771205,-226.07858261880753,-19.584331987153355,0.2252353403918163,0.27189339046874567,1.1050022437452067,2.9733945859137454,810.4326971308182,46.68448407511863,0.9455331370100001,0.054466862989999844,1082.6371437984644,32.90345185232796,10.268199730135937,1353.8741540885192,36.79502893175271,11.062656625259242,1921.7874733651781,43.83819651132079,12.432785838161788,3.834734887655162,3.834734887655162,6202.0363957008285,6112.727930648569,132.67172599100195,1.0146102470231788,46.74723532368504,46.07408160999689,6.868757863270184,9.364340826787707,18.363493736221418,0.9610022825835923,7.8224415537790835,11.881166842330732,5.614770130494701,50.210082443238996,17.949357213252764,1.7335083504364284,11.815034139025128,13.492929986026999,33.20745730512432,2.6478871875828722,7.076568875900298,25.80719005727684,6.303873481071478,20.884436336866834,3.048823095183273,13.525680875582047,8.941417567680626,4.711505312535437,6.265636353056372,2.699376387224563,19.303087517521607,3.311502576783451,4.601336081941344,0.11894701247564535,0.7033583619285357,16.217547974849047,7.707251683129897,2.4092012177925075,0.17495858647611345,0.5781581124480065,0.6729908346873144,12.031795131137088,0.4634453143651262,11.565404938196108,0.20620392510818586,1.6892203224837958,1.654058391642965,0.719037571706247,9.50865244948075,0.23940497156309426,4.7667549006081495,3.184652404582167,0.7838955247999861,5.014111822594019,0.07070491565196944,4.743515368077607,0.5558010758119398,0.7352253750094077,2.03053468347632,0.09990974503851978,4.670315186422029,0.16865726535728862,1.1028706555266912,0.0029401964325869883,0.04998382704811414,2.5421404003167924,0.3426982660516621,1.1369957124999095,0.00411512488270173,0.040626020879911254,2.1250790149204835,11.750735763269876,1.255190079012765,14.186640181344854,1.4151695816290286,1.516679711750379,3.147481941491359,2.0637236197876696,11.061263938861623,0.47412397122272343,4.740327261412199,5.680411377409224,1.3292056928702487,6.988840337976687,0.35025235962091317,5.7116347208295934,1.5331457818495582,1.1039376553445814,2.6004571018329443,0.4059608007016693,6.691521616846379,0.6073622099018622,1.4894581574777732,0.011251804403828865,0.12247431259521055,4.821948713517338,1.3066637696912167,1.3809583361693227,0.020244171271907637,0.13634529285313987,7.38886182830862,12.031693861935272,5.766860628330328,47.771148266832256,16.258382076757027,1.815589552408925,12.081424368641448,12.904824845046805,33.3120695980708,3.0767582316953774,7.081712209305531,24.642216889502926,6.452790033718932,20.193128718995855,2.7503454925352937,13.164677492359665,8.729395910576002,4.312336707809633,6.249712736524569,2.4607986031075004,18.722637716429084,3.049029157500222,4.648688828589103,0.10693236521947329,0.7459207144475613,15.199350189072138,7.065613637282432,2.3257559120765827,0.15786875561205113,0.5402971666753441,3.1243937284759133,11.643963455122412,1.7340699980681213,17.21974928391026,2.8984111455438,1.4598295382155482,4.101432930815052,3.1993921837953234,12.737023950347652,0.542368572895431,4.886178514695262,7.9868023546636495,1.700740750240708,8.634487230008626,0.6396468185136079,6.633054327875355,2.2883741660707146,1.4886048289179488,3.041765475654389,0.682730433487294,8.347368140937412,0.9688123023949387,1.7569404397898793,0.02154707086654874,0.16391940597844074,6.538880351489049,2.1285242678431926,1.5530991102200413,0.03688166227639723,0.20621120073632473,9.446754075216464,11.976793749575235,7.370747861606257,67.84910773283815,26.164736834341554,1.8606973406969525,15.221700483569753,18.71412195639556,43.249569541714465,3.8052980218231114,8.03546154348838,33.74932514076748,8.727792075448297,26.328378668159104,4.285841520380518,16.380784228933805,12.199897090370609,6.369680872769909,7.560320062183656,3.6729210302110427,23.68549466478627,4.368897687159452,6.049312318964055,0.17086581832205747,0.9824526144578206,20.192987002489332,10.299571013786563,2.724476627718525,0.2457634457205785,0.7239646125374903,5.067828523236096,11.89192933172498,4.571522592254137,36.09625327190589,8.894707434079413,1.9034329131562804,10.193979495573185,10.484456065532186,36.08293788883131,3.029559043468028,6.565517063098028,21.59305712409081,7.811574452706699,17.518168091787054,1.343870654959471,10.226524581892692,8.246674154679688,2.468840902681704,7.007323307794613,1.2866284393662049,14.09766008155814,1.7038005274927563,3.9429351448061944,0.05180010787318025,0.6159120450801158,10.480416299546995,3.8225828673670526,2.2190436503892306,0.07726441763388678,0.32545009793995977,31.468217998642555,0.8363986694794591,0.48893837045454575,0.9595854417621098,0.025504970976631382,0.5651461494610052,0.6021207748811501,0.5908971180157221,32.793555038576564,42.11494229682454,87.77734334742712,0.9393781626431649,1.7581640423578775,26.859352891475716,0.49605054326768894,0.0949547877465235,0.9784700321130962,0.01807082221831544,0.4118664101448739,0.21025261805662537,0.022286268830226802,27.45035822248993,15.921123120501681,44.63662062956053,0.9677050481696443,0.644405297031726,29.412073454482766,0.5822139544168223,0.2532349078435774,0.9723795934915983,0.0192483188646015,0.49373617324964925,0.2916835712843382,0.15850784961452236,30.247522316743165,24.71972020135892,59.30366736527267,0.9585693902373974,0.9439275941485098,31.04947250273505,0.8367268264888779,0.4712531545669663,0.9595771644349609,0.025858859776060148,0.5502203896351857,0.6026080855675309,0.5489239389199853,32.357452483790894,41.00639861241503,85.60697345780594,0.9393657466524414,1.7017524141227018,30.421581646808626,0.6377271927882511,0.32860317520442905,0.9692132956299547,0.02031760483104209,0.5281811856603859,0.35005810321363023,0.2668991197465775,31.387912014801305,29.60685736814437,67.36989110128252,0.953819943444932,1.1451384086205936,31.63230477121172,0.8729150274716986,0.5171998610085191,0.957903905806847,0.02643401169470335,0.5710555581239884,0.6558464551907596,0.6611810978505172,33.02241965969194,44.42400935028586,91.72751407031879,0.9368558587102707,1.888083111165265,31.158881925304826,0.8463116120782282,0.47407702180851086,0.9593467275848941,0.026056977189062018,0.5541116932616064,0.6164537731669953,0.5555222293437596,32.47927055919157,41.543050427367454,86.52379064413698,0.9390200913773413,1.7260876957723614 +UMLCN0163,L,"1,4-cyclohexanedimethanol divinyl ether",C=COCC1CCC(CC1)COC=C,Ethers,Olefins,C12H20O2,Marquardt (2015),IQT,PubChem,,61.1,0,0.4982000000000007,0.24820324000000069,54.8532,36.05985999999997,0,0,34,14,20,0,12,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2263.426733999998,2453.4389260000007,2992.142688000002,2985.206471000002,2548.4325079999994,2137.853354999997,1685.8505279999977,1168.124004999997,836.4304280000001,6136.659263539272,7740.819353206952,10705.444292352087,11926.63346520284,10734.168488894875,8914.83001287436,7479.499310650025,5403.590077939955,3388.839603853274,251.55890400000018,257.8933360000001,468.96067200000016,640.0919000000011,688.5637280000013,569.671164,419.512848,411.8680839999998,241.49273600000018,43.64546609698004,55.51724620000002,81.22308907479197,96.68343865237586,90.26745224256385,74.34343899771493,63.22884036958407,48.65792347977209,29.622044007281986,5590.787885169981,4943.767828818,9625.273989923693,13988.387543350678,15584.894661912367,13076.369041167518,9296.425305963086,9673.511027884073,5726.263678001283,87.55555555555556,89.66666666666667,137.83333333333331,159.27777777777777,172.33333333333331,146.25,120.83333333333334,110.91666666666667,63.33333333333334,66.5713745294117,72.15996841176472,48.260365935483904,34.31271805747129,27.110984127659567,27.40837634615381,29.066388413793064,20.493403596491174,24.600894941176474,180.48997833939035,227.67115744726328,172.66845632825948,137.08774097934298,114.193281796754,114.2926924727482,128.95688466637975,94.79982592877114,99.67175305450806,7.398791294117652,7.585098117647061,7.563881806451615,7.357378160919553,7.325146042553206,7.3034764615384615,7.232980137931035,7.225755859649119,7.10272752941177,1.2836901793229423,1.6328601823529416,1.3100498237869673,1.1113038925560443,0.960292045133658,0.953121012791217,1.0901524201652426,0.8536477803468787,0.8712365884494702,164.43493779911708,145.4049361417059,155.2463546761886,160.78606371667448,165.79675172247198,167.6457569380451,160.28319493039805,169.71071978743987,168.4195199412142,2.5751633986928106,2.6372549019607843,2.223118279569892,1.8307790549169858,1.833333333333333,1.875,2.0833333333333335,1.945906432748538,1.862745098039216,0.3282831367561675,-0.07099596678246117,-0.0877835801295569,-0.022306372862766592,0.016431977156166778,-0.008937990838726186,-0.05011612657950204,0.06782088097095258,0.006971792512003431,1130.198378117647,49.75241129411663,-339.8304800968872,-312.6648754186857,-135.4630757370241,169.30916849480994,-324.2881207889277,106.61315515570968,257.4326603529417,1711.6246417846055,-107.65797809960134,-424.7565317355397,-499.4506712914786,-168.0434865353337,570.4193701332491,-640.7682710541969,153.05373426809456,199.26524467194176,2.07625694117647,0.06751247058823763,-0.535171598615913,-0.3616207612456742,-0.40545954325259503,-0.42719862975778533,-0.06288348788927522,0.7524864221453275,0.26658305882352684,7.657507108168231,-1.113089501176452,-1.535163410460651,-2.1705090686668393,-0.7383627689458439,3.082291369813742,-2.990927771639461,1.0516369892975925,0.10500520459258156,42.514413650168215,-7.139594311176877,-7.922929731131584,-11.826825583443421,-4.173548557139757,17.46240687343161,-16.47082621715718,6.7230727755684345,-0.7186739136072968,17.89542483660131,0.9215686274509767,0.05670895809303794,-1.7095347943098678,-3.893886966551312,-3.595059592464427,-6.053633217993074,-0.3655324875048011,3.6928104575163427,0.009655386375181397,-0.0020881166700723874,-0.0014158641956380147,-2.563950903766275E-4,1.7480826761879552E-4,-1.145896261375152E-4,-8.640711479224489E-4,0.001189840017034256,2.0505272094127738E-4,33.24112876816609,1.463306214532842,-5.481136775756245,-3.593849142743514,-1.4410965503938733,2.1706303653180763,-5.591174496360822,1.8704062308019243,7.57154883391005,50.34190122895899,-3.1664111205765098,-6.850911802186124,-5.740812313695156,-1.7876966652695074,7.313068847862168,-11.047728811279258,2.6851532327735885,5.860742490351228,0.061066380622837355,0.001985660899654048,-0.008631799977676016,-0.00415656047408821,-0.004313399396304203,-0.005476905509715197,-0.0010841980670564693,0.0132015161779882,0.007840678200691967,0.2252207972990656,-0.03273792650518976,-0.02476070016872018,-0.024948380099618844,-0.007854923073891957,0.0395165560232531,-0.05156772020068036,0.018449771742063026,0.003088388370370046,1.2504239308873004,-0.2099880679757905,-0.12778918921179974,-0.13594052394762554,-0.04439945273552933,0.22387701119784117,-0.283979762364779,0.11794864518541114,-0.021137468047273435,0.5263360246059209,0.027104959630911078,9.146606144038378E-4,-0.019649825221952504,-0.041424329431396935,-0.04609050759569778,-0.10437298651712196,-0.006412850657978967,0.10861207227989243,-0.21626443406136173,-0.1466398278247477,-0.02655461733107605,0.018104740797129558,-0.011867948281392562,-0.08949110002925342,0.12323069950806627,0.02123713261940023,0.044020954424814865,-0.16489021218212496,-0.10811453388987266,-0.043352816339196125,0.06529953842592781,-0.16820050051114094,0.05626783145201583,0.22777652608358676,-0.06289812349707292,-0.13608766524386176,-0.11403646214284763,-0.03551110747961068,0.14526803059347615,-0.21945394475733654,0.0533383358042299,0.11641877535963735,0.03251643341887302,-0.14135109842170554,-0.06806626545889893,-0.07063460045135041,-0.08968773740729881,-0.017754418323115834,0.21618304611050015,0.12839598680521344,-0.14535925144478468,-0.10993967016216982,-0.11077298543833167,-0.03487654412066387,0.17545695822566493,-0.2289651791446451,0.08191859705373475,0.013712713956291723,-0.1679335006222914,-0.10219669190201804,-0.10871554885482893,-0.03550752000085562,0.1790408881881988,-0.22710678782616314,0.09432692567049226,-0.016904241453755842,0.05149744338933507,0.0017377883550506806,-0.0373332325802034,-0.07870320003729979,-0.08756859770373258,-0.19830105035137632,-0.01218394781694908,0.20635500365230108,1.1753705677746187,1.3437041102080076,0.9331316052198005,0.978459757889451,1.014965263218545,0.7973913252717729,0.8095212346233955,0.5924518759664844,1.067003115347097,1.2447258755306487,1.0902032352302702,1.0036124734719132,0.8862903675975115,1.0962949082029916,0.8504013718004542,0.6374702469802145,1.315668804240797,1.2193863372910467,1.118438558804613,0.9599162883913699,0.7587805225014443,1.2365529412959957,0.8179318904675955,0.7854944121436719,0.8816899234504808,1.3873696835670415,1.0103635553116685,1.1178051400208688,1.14527013962718,0.6389832029137408,0.6951103983574918,0.4519314848485262,1.466634570287766,1.2278227705136917,1.1242634641808213,0.9490993527118474,0.7129254822470334,1.2538029389132592,0.763673376414662,0.8608814593314279,1.5018949318453354,1.2342914431280354,1.1234868769865667,0.949539799671444,0.7081745102331778,1.2450094423237463,0.7444767447275381,0.875755047239686,0.9732468955441929,0.9641588515280757,0.7553997380418631,0.9618033430209969,1.0376046524695175,1.1825567995768367,1.0882751528199608,0.5950967859751642,95.9411151610318,48.22055758051589,75.59809523074253,96.36968658960322,6.883549042114515,48.22055758051589,0.4999999999999716,1.1657341758564144E-15,8.326672684688674E-17,-48.13959543751908,99.99798261612162,7.142713044008687,6.4472100167241395,95.96914393071016,48.23383754445378,75.61663153656716,96.39645635202221,6.885461168001587,48.23383754445378,0.4985311581973946,1.0547118733938987E-15,7.533656238527848E-17,-48.27971227949885,100.0163581700537,7.144025583575265,6.447467256034841,120.89981703551413,60.05091403969899,92.29665805337558,120.44382334630491,8.603130239021779,60.05091403969899,-0.7979889561161642,1.6653345369377348E-16,1.1895246692412391E-17,-50.86386964619652,117.60237717779658,8.400169798414042,6.674232949099989,95.99856096266544,48.247775281551654,75.6360865353008,96.42455204875506,6.887468003482503,48.247775281551654,0.4969896004378711,7.216449660063518E-16,5.15460690004537E-17,-48.81099774988572,100.03564768144601,7.145403405817572,6.447737238991704,147.4324797261467,72.63394559873416,110.37164231226384,146.19557199547333,10.442540856819523,72.63394559873416,-2.1645885286783795,1.2212453270876722E-15,8.723180907769087E-17,-48.074467415630224,138.39771465468527,9.885551046763235,6.902184142611212,98.87797279190826,49.612120581832414,77.54327996911238,99.17477425341389,7.0839124466724215,49.612120581832414,0.34626837175657244,5.551115123125783E-16,3.9650822308041306E-17,-49.178307720140204,101.94240423969148,7.281600302835106,6.474171185278421,125.74675031739096,62.87553613573537,101.78301561895924,125.76300126221335,8.983071518729524,62.87553613573537,0.028439153439144604,5.551115123125783E-16,3.9650822308041306E-17,-49.178307720140204,94.60302276498417,6.757358768927441,6.369565200131797,0,11.790000000000001,15.995920698257033,-0.35435684352256386,0.19508251153972572,4.826271575979427,8.812080337693637,14.0,34.0,32.0,32.0,12.0,2.0,2.0,0.0,0.0,2.0,25.696139999999993,3.6894598312341214,3.374276104490631,3.2392824123266326,2.970225459471839,2.7501294719455007,2.519480525382427,2.140682836725121,1.4647147734707486,2.000470628324204,1.632915741139878,1.5542289021295883,1.4447880035136387,1.3728744165178641,1.148757127543449,0.886987498713615,0.666206401426808,3.693429221822816,3.2968857127297793,3.1860627033989575,3.0000589413301966,2.792995693681242,2.5043353608898418,2.1034309628715864,1.5561429069408632,1.961299571455718,1.6377441022936423,1.5377616805275087,1.3730076819537445,1.2852290050479285,1.0783224059315903,0.7954511519816536,0.522081791788306,3.804122901684619,3.482416031177282,3.3614370504852817,3.137050259080763,2.9815376553220214,2.756333510333352,2.4123548331004665,1.9628467004754977,1.8085090568994149,1.4150758696621983,1.3169423052161982,1.164798098455984,1.0189282736728758,0.7507623379739731,0.4053720469974898,0.03761922851939935,3.705573013193692,3.287246757787335,3.1841985803164214,3.0224144595200935,2.8246242639791563,2.521586561218988,2.123287753026197,1.6278737503491412,1.9371739890263535,1.6397449256262306,1.5277043575115523,1.3275060333612874,1.22859650484016,1.0312269353606325,0.7383609551624796,0.4253470184701714,3.8469246071839773,3.5098183891396593,3.39887089331018,3.205551820013533,3.07248053427365,2.8437324356281026,2.5155349275516863,2.141548493917959,1.7666713769031932,1.3810218684838456,1.275159000110253,1.101642704004407,0.9339036709558721,0.6639658889337046,0.29809096482300335,0.13516428868843886,3.7361254913665225,3.69821535601233,3.495128649151888,3.078415976629499,2.7694890712457942,2.7439626591397768,2.37341665767091,1.8309833201154346,2.033865118225332,1.5352719822438579,1.2673875016186282,1.1832785501466845,1.1020388695875,0.9191326465887885,0.6456077843836754,0.359347274524393,0,0,4,0,0,2,4,2,0,0.0,0.0,0.0,0.08333333333333333,0.11785113019775793,0.0,0.0,0.0,0.08333333333333333,0.11785113019775793,0.4082482904638631,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.8660254037844387,1.1498299142610595,1.4356083214088076,0.7440169358562925,0.8693847838257182,1.0473136899064333,10.22576835024473,6.863703305156273,5.171208396324304,3.898178147766922,2.7944330050199913,2.318931892986823,1.351057332045926,0.8190355937288489,0.7304120250174807,0.49026452179687663,0.323200524770269,0.21656545265371788,0.13972165025099956,0.09662216220778429,0.0675528666022963,0.045501977429380495,8.78275190717861,5.3147411136915625,3.8867513459481295,2.865883366105208,1.9730657999740717,1.577350269189625,0.75506166197049,0.3597050830382313,0.6273394219413293,0.37962436526368304,0.2429219591217581,0.15921574256140045,0.09865328999870358,0.06572292788290104,0.0377530830985245,0.019983615724346183,18.847876246692437,33.539694100509834,31.9529411764706,32.399999999999984,20.94602395209582,260.07698203592815,0.554349301373307,0.9864615911914657,0.9397923875432529,0.9529411764705877,0.6160595280028183,7.64932300105671,2.9653800000000015,57.20600000000004,72.98297031439712,102.52827254397316,145.96594062879427,10.426138616342447,72.98297031439712,7.771561172376096E-16,5.551115123125783E-17,-48.707246588870504,103.65035801250666,7.403597000893333,6.497432610099182,220,0.0,0.0,2.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,8.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,6.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.411632653061226,10.1637570861678,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.96824538611741,1.120918603552532,0.0,0.0,3.114615299823634,0.0,0.0,2.089163989669942,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.09448716447093,6.659830404383976,0.0,3.06926992169687,0.0,1.4314465230536655,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.411632653061226,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.205816326530613,1.5346349608484349,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.484122693058705,0.560459301776266,0.0,0.0,0.33149092970521543,0.0,0.0,0.484122693058705,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.547243582235465,0.831880432728647,0.0,1.5346349608484349,0.0,0.7157232615268326,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.205816326530613,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.205816326530613,3.547243582235465,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.484122693058705,0.560459301776266,0.0,0.0,0.5208036107961704,0.0,0.0,0.560459301776266,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.547243582235465,1.2490173847316706,0.0,1.534634960848435,0.0,0.7157232615268327,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.205816326530613,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,28.666666666666668,2.047619047619048,0.560459301776266,5.205816326530613,0.09811035525321232,0.7157232615268326,6.933845523587764,0.668119567271353,1.7058163265306123,9.01223963506431,0.668119567271353,1.7058163265306123,9.01223963506431,6.66666,0.47619,0.0,0.02381,0.5098,0.80952,0.43333,0.48772,0.80952,0.07647,0.02208,-0.05439,0.0,0.58823,0.12606,0.0,0.15,0.15,0.0,11.0,0.78571,8.0,0.57143,3.0,0.21429,-5.0,-0.35714,0.0,0.0,12.1869,0.87049,17.93886,5.75195,0.41085,4.78798,0.342,6.86369,2.07571,0.14827,0.05031,0.00359,0.13631,0.00974,0.17647058823529413,14.02,2,2,2,2,0,0,0.6666666666666666,1.2210477851797181,2.5341468438052397,3.2639334294856344,3.2639334294856344,3.2639334294856344,3.2639334294856344,41.515624696110415,86.16099268937815,110.97373660251156,110.97373660251156,110.97373660251156,110.97373660251156,0.24001114568919832,0.4981160399360136,0.6415640823989707,0.6415640823989707,0.6415640823989707,0.6415640823989707,3.866415056070622,2.5533159974451003,1.8235294117647056,1.8235294117647056,1.8235294117647056,1.8235294117647056,0.23618288173214674,0.4901709102353052,0.6313309049115912,0.6313309049115912,0.6313309049115912,0.6313309049115912,10.6631702634604,20.721944989290282,21.457442178356796,21.457442178356793,21.457442178356796,21.457442178356796,51.03450010830636,34.134789437085374,31.902582703826805,31.902582703826802,31.902582703826805,31.902582703826802,12.071428571428571,7.3125,4.888888888888889,4,3,2,2.56,1.7222000000000006,0.09090909090909091,3.4459840564312874,0.7559289460184545,0.0,8.98752920332377,7.883079777506848,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.14285714285714285,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.575,0.6280000000000001,0.649,0.5,6.167999999999999,16.0,18.0,20.0,24.0,20.0,18.0,16.0,10.0,4.0,174.0,2.833213344056216,2.9444389791664403,3.044522437723423,3.1354942159291497,3.367295829986474,3.2188758248682006,3.1354942159291497,3.2188758248682006,2.9444389791664403,2.1972245773362196,5.3706380281276624,1.2298850574712643,0.45454545454545453,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.42857142857142855,6.0,0.42857142857142855,0,6.0,11.0,0.8333333333333334,2.0,0.8888888888888893,0.25,0.38222222222222224,0.23611111111111116,0.16163265306122448,0.08680555555555555,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.14285714285714285,0.05555555555555558,0.016666666666666666,0.03185185185185185,0.021464646464646468,0.02020408163265306,0.017361111111111112,0.006172839506172837,0.006666666666666668,0.008264462809917356,0.32706502512238445,55.12405582487296,84.64354802868306,110.24811164974597,7.874865117838996,55.12405582487296,1.27675647831893E-15,9.1196891308495E-17,-48.012234948031065,107.78180689150692,7.698700492250494,6.5521524277886725,18.46,216.05935150992238,4.807354922057604,4.110873864173311,4.859812404361672,5.638354669333745,6.418364935936212,7.210079628170788,8.002694162283937,8.800415333145924,9.598659321249377,10.399311207383771,93.03856552603874,3.367295829986474,0.0,4.532599493153256,0.0,5.8998973535824915,0.0,7.365812837209472,0.0,8.885855993000296,9.13852208418571,196.14632988,5.769009702352941,27.598805290912086,1.971343235065149,5.778584694930406,5.778584694930406,0.0,367.0,15.0,3.1239999999999997,60.0,1.2337643249389476,2.1280762029096185,2.857746771130269,3.5931322493335873,4.360636810713542,5.085840770300632,5.573476589254473,6.00167065435845,6.792329983464713,7.595738932629939,99.51203244518149,112.2976338090618,105.12271501959856,101.82406572382826,122.22580381259762,146.4853667899624,112.86722861022085,156.27186443567527,223.83614904393238,191.71603841971046,301.4247886874439,388.6372275901625,413.5565393868856,429.29677483598766,513.6184457060654,657.3691272401292,528.2864162279017,620.6850917868591,788.585633928789,810.2990128179613,9.431616131254861,16.163320856356286,21.115955830461587,26.254342246273207,31.6630581017716,36.66082150392273,40.164603192946814,42.71997710761725,50.983689503454514,57.31749831767553,2.1124433878892894,2.900823311979465,3.310161587512625,3.593094543065458,4.287116110225895,5.579778768042788,4.765290685213609,5.360528443778572,6.305918996400917,6.580997940575297,177.9214398865343,327.73171791810853,455.6037105787434,591.0561280316186,726.7828148630526,813.3760900937503,945.9886903854461,1006.8035607154183,1128.7919288623448,1314.7270780899976,3.3584160354599493,4.867999556008005,5.374070162992669,6.622885831905945,8.150547031164072,10.528004723930172,10.671567986352862,11.39152407916313,19.157311071189707,18.247806387562633,0.47015316807227586,0.6561718660974799,0.7461752208405914,0.8206850399501155,0.9671662514497203,1.2348373862431143,1.0872198299316829,1.2304970648121176,1.5463257454523405,1.5684764025435525,452.15120284880317,490.29158767917835,21.101432734970338,116.5393266178601,-126.3697876164662,-7.8577929665126,335.61187623094304,616.6613752956446,28.959225701482936,0.7950742616952767,0.8621412917478865,0.03710530005618339,0.2049257383047236,-0.22221187283526594,-0.013817344512281398,257.13410694707443,278.8241825903228,12.000184954555458,66.27481135799924,-71.86530142819792,-4.468652442565472,0.0815356592883084,0.32586878063698127,1.4880820270989663,1.225009222632776,564.0769533927108,4.613576073952249,0.9918873696063147,0.008112630393685321,1124.341974740992,33.53120896628978,10.398390945409854,1319.356570138378,36.32294825779397,10.967830447344662,2179.530155083689,46.6854383623383,12.965450975451327,1.2218084036850407,1.1723827894035512,1528.0148002758535,1392.428241476748,375.0472437177939,1.0973741804139998,4.074192854022454,3.712674242513531,5.451226141610721,5.686540073584579,10.762226276526523,0.8925789913131524,6.068611294461846,7.506240819223924,13.989984465772318,23.073634690207374,18.149079428684644,19.173378629665176,22.121012359326993,19.733663225177803,14.731711215858297,12.638212971529112,7.215808370858586,8.895994882743485,4.474262824772162,6.3303534597671876,1.9292098328959648,3.578096852099775,0.698824761769645,1.3106630411158877,0.97605252193772,0.004407800604138995,0.0035047560641741494,2.2956947638949053E-24,2.9003231982686065E-67,7.067316707760923E-132,3.3215333405328236E-218,0.0,0.0,0.0,0.0,0.0,0.5098944697770555,7.06199024717245,1.1695807114416674,8.89666530859576,3.4077683749654137,5.392325126162574,3.09240772343647,3.5513580376485545,3.753468165329888,1.696753887439852,0.845580627423845,2.350832575483448,0.1867831238436401,1.2973709811711056,0.0837336108711762,1.0309879213623758,0.08745738209676691,0.06051071776317466,0.017379201894384955,3.1044500060024614E-5,2.4684283527357736E-5,1.616876593024896E-26,2.0427213431159322E-69,4.977568943392651E-134,2.3393830903493623E-220,0.0,0.0,0.0,0.0,0.0,1.6445432794953052,6.490813720906827,3.10118763542098,9.351918812560152,5.009967787884999,6.654362088884513,5.442759710552525,5.480975863709489,3.9452076993429386,3.433947996815885,1.711705476535537,3.0228460410456806,0.6455445720774101,1.9103608230662468,0.3131131209131097,1.5024958645805595,0.16900542091991502,0.22794248938706108,0.0986255550035445,3.235076260608139E-4,2.5722926603770357E-4,1.6849100717725246E-25,2.1286731341701957E-68,5.1870106115979036E-133,2.4378175475283676E-219,0.0,0.0,0.0,0.0,0.0,5.728312780732147,7.754552930709899,14.473235423291875,23.31211291767186,17.656397144850043,19.311283899451436,20.811835287230526,18.396020586247566,14.855335080451736,12.097953075221879,6.784616744559059,8.44487918603232,4.254045807040682,5.946437696767164,1.7641184046122742,3.42917768438037,0.6460986130642206,1.2030862253748345,0.8768783913594989,0.003927270982262499,0.003122674555154543,2.0454227039921966E-24,2.5841357535654718E-67,6.296851949878534E-132,2.959426407048207E-218,0.0,0.0,0.0,0.0,0.0,2.4234454251382336,6.321497072011444,4.247673633351357,10.270859956718521,6.45126433728235,7.739160022633849,7.41160259245367,7.2121685951424785,4.84064758579404,4.69665851943247,2.4324669079843266,3.684903039944801,1.0360519622535693,2.441725289055419,0.5143165635051747,1.8344252943468558,0.23782595168348775,0.3689342310858082,0.18837802933828288,7.02701793037189E-4,5.58736338513255E-4,3.659849824740769E-25,4.623762494830031E-68,1.1266880171126448E-132,5.295265470569405E-219,0.0,0.0,0.0,0.0,0.0,7.328593440384587,8.077547873822981,18.457806296129295,29.020428954973383,23.347050866565723,24.601008587700782,29.15684048962364,25.614938810213307,19.57833769717182,16.045019926899446,9.300246412856142,11.306522995501451,6.207555012741042,8.170573976616932,2.5996634985749294,4.244515640320273,0.9114164555588824,1.7442190027284228,1.3892171805257476,0.006428362929103062,0.00511135733711057,3.348055060135986E-24,4.229848807738766E-67,1.030701722072916E-131,4.84414421423945E-218,0.0,0.0,0.0,0.0,0.0,3.5381237348383268,5.746003942051161,9.347547145065668,16.057349616649187,9.471561824577693,12.96409359607705,10.597705840827395,10.062985273143635,10.878181190387123,8.04458136218,4.33524520317067,6.461376798463996,2.1369801484014466,3.629952299898476,1.105100084511508,3.3706915144675813,0.5539936363618508,0.6098064158641865,0.3832264287884353,0.001352073274074353,0.0010750683690342482,7.0419418083024795E-25,8.896612698120981E-68,2.16786803627412E-132,1.0188656116758675E-218,0.0,0.0,0.0,0.0,0.0,7.203800314810368,1.98077818314507,1.2258143094138017,0.6919816041630042,0.19026930297413272,0.40177678079941176,0.38121044493111794,0.4653280529766467,10.41039280736924,25.527718248038063,53.42941540435436,0.5379724062445065,1.2483152787071763,6.4886049438726285,1.3032910968474094,0.6137909112931883,0.7719303586863365,0.1550487312087278,0.3269237477472658,0.16457639036781807,0.11625058554961831,8.405686952013227,13.23913602584462,26.8353710179706,0.6578955380295048,0.6077507236647022,6.764904297454344,1.6204699055060758,0.8705801070668506,0.7308705370472397,0.17507323947683806,0.3547445474600069,0.2552176030727292,0.23443445673894323,9.25595431002727,18.26246379906238,37.061999160669714,0.5963058055708595,0.8443966072716794,7.164997435608541,1.9263933299512828,1.186524210632589,0.6971255796730581,0.18743036252134285,0.39758035737686864,0.36019103408220243,0.4358629456777463,10.277914976192413,24.58975852073262,51.24479644543826,0.5456883695095872,1.1936343371368174,6.9039764316894425,1.7637602307804905,0.9935375458071252,0.7146030930138212,0.18255979415939075,0.3692333930902894,0.30268889755762207,0.30554013450917034,9.661274208277058,20.78868087579246,42.54822110836657,0.5719046395207319,0.9774624251570818,7.258636212065376,2.018673052649814,1.2676447603009176,0.6883516224770159,0.19143497902986167,0.4078835964962265,0.39581216536521235,0.49766328278970107,10.544954025016107,26.413145799391867,55.53266185353411,0.5325274337155238,1.3013590446511398,7.275262876134096,1.9572787658558621,1.1978389259158158,0.6975069441397029,0.18765171156634483,0.4096016809808517,0.3742917916892168,0.44399912171977146,10.430380567905774,25.298815307391006,52.786083842919524,0.5462604162095543,1.22789259438984 +UMLCN0164,L,methyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OC,Esters,Olefins,C19H36O2,NREL (2014),CFR,PubChem,,56,0,-2.0916999999999986,4.375208889999994,73.68610000000001,59.048547999999954,0,0,57,21,36,0,19,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3289.532604999997,3464.8371920000027,3924.2348360000033,3759.8131029999995,3442.471472999999,3203.4301519999985,3006.6734229999984,2809.916693999998,2613.159964999999,9598.617486679494,12238.494025304746,16117.759722692308,16960.12459311566,16095.027126271249,15028.690356025307,14021.892011070177,13015.093666115044,12008.295321159918,411.8379399999997,414.5251760000003,772.8018560000013,1026.3171400000028,989.3286600000027,938.3410400000029,875.4561400000024,812.5712400000021,749.6863400000016,70.28157257456395,91.51691515999993,131.3830375849799,146.05140055009116,139.077311363846,131.11915597554372,122.09762711614766,113.07609825675172,104.05456939735575,9437.030810187965,8127.945756439402,16548.26837264862,23633.216217100013,22677.798007136433,21752.79593415489,20273.840779116308,18794.88562407773,17315.93046903915,147.52777777777777,125.0,212.91666666666666,249.3333333333333,246.58333333333331,219.33333333333331,207.08333333333331,194.83333333333334,182.91666666666669,57.71109833333328,61.87209271428576,37.0210833584906,26.109813215277775,24.945445456521732,24.26841024242423,24.444499373983728,24.648392052631564,24.887237761904753,168.39679801192094,218.54453616615618,152.0543370065312,117.77864300774763,116.63063134979166,113.85371481837353,113.99912204122094,114.16748829925477,114.36471734438017,7.225227017543855,7.402235285714291,7.290583547169824,7.127202361111131,7.169048260869585,7.108644242424264,7.117529593495955,7.127817894736861,7.13986990476192,1.2330100451677886,1.6342306278571415,1.2394626187262254,1.0142458371534109,1.0078066040858407,0.9933269392086645,0.9926636350906314,0.9918955987434361,0.9909958990224357,165.56194403838535,145.14188850784646,156.11573936460962,164.11955706319452,164.33186961693067,164.7939085920825,164.82797381395372,164.8674177550678,164.91362351465858,2.5882066276803117,2.232142857142857,2.008647798742138,1.7314814814814812,1.7868357487922704,1.6616161616161615,1.6836043360433603,1.7090643274853803,1.7420634920634923,0.33463744600117507,-0.15381740702670685,7.381764610759813E-4,0.013849441998177905,-0.03612918887939315,0.0055513361957379714,0.002586296769167262,0.0017927605435255508,-0.020524231628438368,1747.2644466666695,-19.211399111106196,-531.270086222218,48.465549666665936,-238.08741533333324,0.7847919999981912,-1.705292000001947,-4.19537600000163,-6.685460000001314,2829.901809757531,-150.57541532855413,-1058.645645285992,5.821789624307897,-224.27967850833159,5.611754787917974,4.6871314068166186,3.762508025715263,2.837884644613908,2.258879719298247,0.05510876700522453,0.6807734342874655,0.018324007386894364,-0.33599567128347146,-0.04267612188364921,-0.05517300831024326,-0.06766989473683727,-0.08016678116343132,12.60246578950604,-1.0173809965097598,-4.413231333820662,-0.25105612133756783,-0.47378239483295104,0.008640884362312556,0.008438325549579767,0.008235766736847866,0.008033207924115077,69.30942790446389,-6.108677347838107,-23.02132285914246,-1.8512845835856,-1.7765163452248673,-0.0032355792208191847,-0.0032398388823067226,-0.003244098543797813,-0.0032483582052817983,43.05945419103319,1.550750658322217,9.624816182757074,2.1933671899045835,-8.168795526828792,-1.7400225710475152,-2.055196470708948,-2.370370370370382,-2.352210936698481,0.005870832385985528,-0.0027467394111911937,6.963928878075296E-6,9.617668054290212E-5,-2.6180571651734165E-4,4.205557724043918E-5,2.1026803001359855E-5,1.572596968004869E-5,-1.9546887265179397E-4,30.653762222222273,-0.34306069841261067,-5.011981945492622,0.33656631712962454,-1.725271125603864,0.005945393939380236,-0.013864162601641845,-0.03680154385966342,-0.06367104761906013,49.64740017118475,-2.6888467022956095,-9.987223068735775,0.04042909461324928,-1.6252150616545766,0.04251329384786344,0.03810675940501316,0.03300445636592336,0.02702747280584674,0.03962946875961837,9.840851250932953E-4,0.006422390889504391,1.2725005129787752E-4,-0.002434751241184576,-3.2330395366400914E-4,-4.4856104317270943E-4,-5.935955678669936E-4,-7.634931539374411E-4,0.2210958910439656,-0.01816751779481714,-0.04163425786623266,-0.0017434452870664433,-0.0034332057596590656,6.546124516903452E-5,6.860427276081111E-5,7.224356786708654E-5,7.65067421344293E-5,1.2159548755169103,-0.10908352406853762,-0.2171822911239855,-0.012856142941566666,-0.01287330684945556,-2.4511963794084732E-5,-2.63401535146888E-5,-2.8457004770156257E-5,-3.0936744812207606E-5,0.7554290208953192,0.027691976041468162,0.09080015266751958,0.015231716596559607,-0.0591941704842666,-0.013181989174602388,-0.016708914396007708,-0.02079272254710861,-0.022402008920937914,-0.46786200501108377,0.0011861910577960185,0.016382119982251392,-0.04459430951261824,0.007163477761830084,0.003581570996909004,0.0026786609881059983,-0.033294916257259305,-0.011191471243419208,-0.16350299546132754,0.01097960878960667,-0.05628252457550344,1.9395315642757078E-4,-4.52282577947026E-4,-0.0012005555335385342,-0.0020771038529457295,-0.05415886215641581,-0.20116306260347422,8.143245058925411E-4,-0.032735149394546706,8.563045335964655E-4,7.675479334994513E-4,6.64777133387119E-4,5.443884818269584E-4,0.024832155360509357,0.1620609887167773,0.0032109956373561777,-0.06143789753915496,-0.008158170265291302,-0.01131887600849659,-0.014978640553260597,-0.019265793305698442,-0.08217030949346985,-0.1883086007145812,-0.007885471226237098,-0.01552813009526424,2.960762629280042E-4,3.10291939107855E-4,3.267521957371912E-4,3.460342106458039E-4,-0.08971017450147195,-0.1786104858797987,-0.01057287832009509,-0.010586993899739112,-2.0158613027201802E-5,-2.1662114314473578E-5,-2.3403010541866533E-5,-2.5442346122471194E-5,0.036657283842032165,0.12019680228845997,0.02016300165236872,-0.07835834849726964,-0.017449672715749473,-0.022118443869424874,-0.027524389415785878,-0.029654684028934324,1.539703417337533,1.0421565627445084,0.8315388736398778,0.8848506246082997,0.7337651588004062,0.7733733966438999,0.8178858837527804,0.9066449401235075,1.2608534341798363,1.2598043261882919,0.9406621194964284,1.0298857618433503,0.936060208113292,0.9414600984910895,0.9477126031390654,0.9550369657266944,1.4502151415991016,1.35368205307522,0.9890924536186672,1.0152931859007208,0.9751783985994028,0.9740943359645824,0.9728391055453167,0.9713686927684625,0.7364641799151728,0.7632097803220822,0.7278204655357382,0.9850666219554294,0.7032018886521136,0.7450956115434648,0.7936041327860818,0.8504284005274331,1.5271434534111399,1.3617129865889015,0.9987505560696344,0.9985207210722176,0.9752255090267331,0.97386604809097,0.9722919354285071,0.970447974881051,1.5400921521523203,1.3550076643578848,0.9976955807413982,0.9927954652002607,0.9709931491102782,0.9702185616686346,0.9693216709467317,0.9682710275296449,0.5786572806084331,0.5446128891597513,0.7642856334457538,1.1905794313056455,0.7077365017110135,0.7542354026496411,0.8080762353154203,0.867018266597251,281.57151584449446,141.03575792224694,224.83729958584075,282.0238967968749,13.429709371279756,141.03575792224694,0.49999999999946,0.06859979636092023,0.00326665696956763,-5.626877996784259,347.2149125420414,16.534043454382925,12.284882258740913,281.58394866337363,141.04123991078546,224.8434881338983,282.0350006636474,13.430238126840354,141.04123991078546,0.4985311581972951,0.06852848315485938,0.0032632611026123513,-5.629062196086652,346.6197376365606,16.505701792217174,12.281279476413015,292.82395883445497,146.01298493916943,230.4980216528819,292.1019688265405,13.909617563168595,146.01298493916943,-0.7979889561161428,0.0045122955585870095,2.1487121707557187E-4,-11.341993450044079,212.80623740018012,10.13363035238953,11.2568023430709,281.5969977490514,141.0469936747445,224.84998359310683,282.0466550065902,13.430793095551913,141.0469936747445,0.4969896004376153,0.06845363685349881,0.003259696993023753,-5.631357053962836,345.9998997793942,16.476185703780676,12.27752081934578,305.187986569381,151.5116990203514,236.85494655586135,303.2295493291483,14.439502349007064,151.5116990203514,-2.1645885286781947,0.06567772798469118,0.0031275108564138656,-5.718290353923826,189.6726646899652,9.032031651903104,11.015129514863489,282.87662779229504,141.61144808202562,225.48773504223396,283.189918223884,13.485234201137331,141.61144808202562,0.34626837175619585,0.06112230896297166,0.0029105861410938885,-5.869244550333978,301.9822514054157,14.3801072097817,11.991773315480893,299.71699589615764,149.90284838849948,239.59815307046796,300.4651758699017,14.307865517614367,149.90284838849948,1.047451963241599,0.08708709540829712,0.004147004543252244,-5.125777785331409,190.1229624315391,9.053474401501862,11.02010917040912,0,11.99615713390471,15.998264214428769,-0.3496071123227268,0.26125743205155394,4.036765556427059,7.799938186417853,20.0,56.0,54.0,54.0,18.0,2.0,2.0,0.0,0.0,2.0,42.22945199999999,3.5878454765077556,3.5400384826422866,3.4485765188691766,3.3197953741619832,3.157923425809467,2.968083247918685,2.771418109446623,2.6251840264222106,1.946727896267485,1.904705165321692,1.8143539647711449,1.7149604875416453,1.5816610271599143,1.4683993031900797,1.3897826937232705,1.2648953572994046,3.603877669084668,3.5245539665243237,3.447014878413148,3.3011587486890868,3.1573596113073337,2.9628498460365202,2.788595349327737,2.6326010742221553,1.8928126655833177,1.8491396379839748,1.7646321745663367,1.6658750459414784,1.542178926959792,1.426495200153494,1.312656713098154,1.1806539170092125,3.713784442937839,3.659759062628952,3.5843116005441673,3.4644668682870714,3.327179000409271,3.1636463545838938,3.0055174241607903,2.8665234244183204,1.7319425561862494,1.6678148019262502,1.582848793789171,1.4524803194399785,1.3142281796387176,1.1507266791880109,1.0182832405553806,0.8858021185356343,3.6210325708891893,3.5405914415298776,3.459849554091697,3.3107572028569394,3.167737691758966,2.972843564432214,2.809499122478108,2.6605956722325192,1.8597625081097127,1.8170320725388964,1.7393068113234116,1.6404541012180716,1.5182038238889344,1.3893759670395303,1.2609741023672831,1.128661052001129,3.764873705772426,3.7101662008525413,3.630928153974253,3.514801465577741,3.384028200806633,3.234225114177524,3.093851894206369,2.95695056856936,1.6834135790700089,1.6145370615725367,1.5335439874745693,1.3985237876376475,1.2603357561736963,1.0864330565650193,0.9358069394286859,0.7945473396706889,5.0305465170471235,3.692955552044657,3.524390367280925,3.459730577292248,3.3709363719953203,3.2816325003631417,3.115689505506438,2.9118180062617944,1.8205647732023187,1.7875705204410832,1.6457273048191434,1.5498320777007721,1.3578951774990329,1.2145795847594925,1.0332925120396317,0.9690650667743281,0,0,1,2,0,1,14,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.49279927982674443,0.348461712529338,0.24639963991337221,0.10059223176554563,0.07112944921610614,0.050296115882772816,15.598165549360939,10.308060412490448,7.25184260888705,4.9974002407106255,3.0682437686183195,2.044575975123381,1.3573451890125228,0.8972879875616906,0.7427697880648066,0.5154030206245224,0.3625921304443525,0.26302106530055924,0.1804849275657835,0.12778599844521132,0.09048967926750152,0.06409199911154932,14.370692055918648,9.026986666968606,5.910421309073474,3.870373422216445,2.442139467079038,1.5601867111082224,0.9853674731440033,0.6134266888874446,0.6843186693294594,0.4513493333484303,0.2955210654536737,0.20370386432718132,0.1436552627693552,0.0975116694442639,0.06569116487626689,0.043816192063388895,30.182498676979392,55.64238892935187,52.75686274509797,53.48000000000005,34.33445988023957,437.56032814371264,0.5295175206487612,0.9761822619184538,0.9255589955280346,0.9382456140350885,0.6023589452673609,7.6764969849774145,6.1230900000000075,91.19800000000006,149.0144888509153,237.19247410233254,298.0289777018307,14.191856081039557,149.0144888509153,0.0494560278584254,0.002355048945639305,-6.314009793620244,217.12557653649776,10.339313168404654,11.298999347744642,577,0.0,0.0,2.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,15.0,3.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,14.0,0.0,2.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.535606450101932,4.629648441775724,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5139792716903107,0.0,0.0,4.288465439344989,1.149423368788899,0.0,0.5139792716903107,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7239624472515187,0.0,17.277449327537493,0.0,4.705919334727055,0.0,0.0,0.0,0.0,-0.07627089295133094,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.914352790787646,4.621253659314286,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.621253659314286,-0.07627089295133094,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25534283322297396,0.0,0.0,0.21259071167196744,0.30796889348025713,0.0,0.25534283322297396,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4582086498108122,0.0,0.5780345566875987,0.0,2.347710117997816,0.0,0.0,0.0,0.0,-0.07627089295133094,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.914352790787646,4.621253659314286,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.914352790787646,2.3582092167292386,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25863643846733675,0.0,0.0,0.5194926697530864,0.5194926697530864,0.0,0.25863643846733675,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2657537974407065,0.0,1.412889309931489,0.0,2.3582092167292386,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.914352790787646,4.621253659314286,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,41.16666666666667,1.9603174603174605,0.5597050045913683,10.914352790787646,0.21259071167196744,-0.07627089295133094,11.26489396271544,1.7429375596179977,3.914352790787645,12.014559164539385,1.7429375596179977,3.914352790787645,12.014559164539385,10.16666,0.48413,0.0,0.01587,0.47427,0.77302,0.42923,0.46836,0.77302,0.04504,0.00591,-0.03913,0.0,0.62628,0.08801,0.0,0.13115,0.04918,0.0,13.25,0.63095,10.75,0.5119,2.5,0.11905,-8.25,-0.39286,0.0,0.0,24.49038,1.16621,30.02179,5.53141,0.2634,8.64003,0.41143,10.30805,1.66802,0.07943,0.10595,0.00505,0.10595,0.00505,0.0,20.02,2,2,2,2,0,0,0.8421052631578947,1.1166106666673494,1.9770589280299125,3.1393212847745464,3.9060076646597026,4.299836014423439,4.358924883796258,63.64680800003892,112.692358897705,178.94131323214916,222.64243688560305,245.09065282213604,248.45871837638674,0.1914335199113549,0.3389501470503937,0.5382102657775025,0.6696522058832332,0.7371707685181111,0.7473010588594902,4.716279347497393,3.8558310861348297,2.6935687293901958,1.9268823495050396,1.5330539997413029,1.4739651303684838,0.1906135693502762,0.33749835133885703,0.5359049965142777,0.6667839427796982,0.7340133090223179,0.7441002091713567,9.47418026173828,17.79074939873916,22.125203839847302,24.999245710009987,25.68730860394778,24.665067747323338,78.01550725444851,55.22582234466914,43.80106269043568,33.346674344541505,30.35188422442031,33.152250152783886,21.0,18.05,17.950138504155124,21,3,18,3.3299999999999996,2.8170999999999986,0.05263157894736841,4.021051602672681,0.34299717028501764,0.0,27.408212328519852,2.352779665665871,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.446,0.43,0.658,0.21600000000000003,9.785,20.0,19.0,17.0,16.0,15.0,14.0,13.0,12.0,11.0,178.0,3.1354942159291497,3.2188758248682006,3.2188758248682006,3.1354942159291497,3.1354942159291497,3.1354942159291497,3.1354942159291497,3.1354942159291497,3.1354942159291497,3.1780538303479458,5.5093883366279774,1.3820224719101124,0.47368421052631576,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.0,0.8,18.0,0.9,2,10.0,19.0,0.9,1.5,0.666666666666667,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.075,0.03333333333333335,0.013157894736842105,0.009411764705882356,0.006944444444444446,0.005442176870748299,0.004464285714285714,0.0037986704653371313,0.003333333333333334,0.003005259203606311,0.17869496689517875,149.0144888509153,237.19247410233254,298.0289777018307,14.191856081039557,149.0144888509153,0.0494560278584254,0.002355048945639305,-6.314009793620244,217.12557653649776,10.339313168404654,11.298999347744642,26.3,349.4877025917906,5.392317422778761,4.394449154672439,5.0689042022202315,5.75890177387728,6.444131256700441,7.138073034044347,7.826842098158293,8.522578663692576,9.213036733523925,9.909817476230998,105.27673439312053,3.713572066704308,0.0,4.795790545596741,0.0,6.008813185442595,0.0,7.278628942320682,0.0,8.579416534596369,8.903271585724212,296.271530392001,5.197746147228088,40.654900299695655,1.9359476333188408,5.135510785891027,5.135510785891027,0.0,1506.0,19.0,8.513000000000003,80.0,1.233934738541379,2.1389719667780973,2.8925633821582957,3.6627588242210734,4.989888791396613,6.020892274377861,7.34667312240159,8.46083315888937,9.768588749859608,10.919652600160882,88.3338620188849,88.52124391147004,90.2010131144288,116.25495558540658,143.05839147893084,173.91277233639786,205.59212266155342,238.1095536368702,271.70769636699737,302.41980562955905,296.35209450047483,349.30910488465594,376.7538251255757,502.7459130319446,628.7005388318385,766.0519402119729,907.4681630704453,1048.2615403053687,1191.8340452623045,1333.4447570302555,9.185574076664023,15.664807644561101,20.684390559815352,26.435940885425065,35.63034069142855,43.07977523869184,52.55228646541448,60.63842115291045,70.0872262763556,77.91199646357448,2.15677784676661,2.7919849485285217,3.1364127663025183,4.17304888605112,5.321218605773107,6.476823276793932,7.704983429068126,8.887139400144523,10.110808986639308,11.376742756002999,176.9131733337492,330.2527935110983,470.64109334768574,586.6343048115486,812.3264365040495,976.850539217141,1199.303269954266,1379.8087639418475,1598.7202559380166,1780.9791031982118,2.8497172434116074,4.449445147078614,5.132361723702487,6.807999872374125,8.564422785471127,10.508127577189109,12.87544901184155,15.130433161590606,17.99511884503984,19.252639002155572,0.4609304289252263,0.6083609276756613,0.6863602792096208,0.9129569318260959,1.163453147559962,1.4182458853662192,1.6936315130852306,1.9584147791933046,2.2369450136484703,2.5035671424547186,706.1088154104342,1036.1209485000047,23.758064352968688,150.0296042405229,-220.14852733202943,-21.431371530514518,556.0792111699113,1256.2694758320342,45.189435883483206,0.8247601079487951,1.2102259689764017,0.027750260714446993,0.17523989205120494,-0.2571412779510383,-0.025032601082488472,604.5268853270985,887.0629514160447,20.34019166911635,128.4461082753398,-188.47761227852922,-18.348220553087213,0.17799711706409826,0.21736300601698283,1.1083583204737575,4.33317614040496,797.6243911572092,58.51402849374797,0.9316535420550291,0.06834645794497088,1405.4991465335331,37.48998728372061,11.201517509446175,1765.108276920995,42.01319170119065,12.085291138072966,2459.7354458682935,49.595720035788304,13.498830160849906,5.265144990309496,5.265144990309496,16142.35107275669,16040.091760996049,152.80900586936514,1.0063752323418311,105.63743269527335,104.96823580351383,8.501496281485498,13.155773788721058,25.273086132287048,0.9210642063452489,14.322422097483345,16.238833773212846,8.163840623021521,70.51917287057961,35.879836203993484,0.8485125183653119,18.468554537744744,12.952066976019944,58.00730477400199,0.6600676902915249,2.1434878561350486,45.93051499189972,4.497063697786545,63.23261134794468,0.024296874666568394,2.6734101857135752,31.360547020953618,2.4609004811447894,57.459116866274044,0.011682810426275976,1.003318937522503,23.64184406958172,3.1360306109839504,53.6419005588059,0.11481064301389445,2.774554172431746,14.022392390396856,2.2986543965306327,39.66214701774038,0.0949726116406082,1.209535051574586,16.486263688456717,0.7216080570774338,17.60121688522349,0.31033297597236353,0.1275494119421822,2.8240726531113034,0.16094418602876145,16.224082536626625,0.005271033807018648,0.19134320419474185,4.487208977680511,0.13930658880677219,15.011670474345967,9.175741007147622E-4,0.3136727109833385,2.319866636635043,0.09967091606502304,12.130431498045722,9.406116524263375E-4,0.5166038475433669,0.5909523606252132,0.12730802765795898,8.460562371423212,0.002843247667715032,1.2924357370052932,0.25686670062630174,0.10329423411318493,6.035576725396955,0.007100672692900687,3.8828339721745615,16.001748752978123,2.064184097836186,20.757320784138848,2.7071168459642836,0.2633423532979047,5.824583087651134,1.10727199761242,21.270385112522145,0.05004327485385676,0.36579623133964445,11.582045443574168,0.5677696468456606,21.556203030488213,0.003701022794413137,0.48894275937198645,5.51416056470184,0.3920786330998614,18.09814443923146,0.0030626644775091634,0.511692205015651,2.7457175478075895,0.5003207903577476,14.706423824264785,0.013653801671407957,1.2793717400765034,1.3554193787168418,0.39027612734683437,10.513312530288612,0.023494920644809535,13.521536205047298,16.497385063307398,8.203811515801666,65.3306850468247,32.13307371340554,0.8120570608114912,18.10186762846268,11.587171098884903,55.603105687976615,0.5885367482687414,1.963093599328505,43.350809252368904,4.157204442678051,61.13021835268767,0.02216205184566507,2.4462011439638855,29.042329935085263,2.249353686234854,54.905504066073426,0.011000183920880285,1.0352942543600439,21.401950780862347,2.8665360517212464,50.68627302545391,0.10369517720972357,2.705903118761897,12.732472339457207,2.1072571024551814,37.31233636823792,0.08904754404580222,5.719113083048354,15.8184625177234,2.896880558064779,25.15717339455889,5.758735791654895,0.35955183856041395,7.7745335744515005,2.2505390610427938,25.538589951387436,0.10717002540907254,0.5530140367646474,16.862007686677373,0.9759663069093332,26.714160644949793,0.006202278557894147,0.7014940257313231,8.525824956732457,0.6490769048045515,23.035947100899506,0.004540367323812107,0.5316491004437115,4.965266459333945,0.8279793030832573,19.74082060167098,0.024651133364242517,1.3681730104993686,2.5777371680126517,0.6351255413793344,14.2136136220882,0.035206995185414244,17.296407173114723,16.40983293949809,10.296233535844337,95.0185987461774,52.302768886257745,1.02122526266094,22.514054398778885,18.696240343541994,73.17602767230066,0.9606179637489366,2.9455372871431926,57.18134281786212,6.297095428692582,79.32061901038907,0.0330000022605686,3.6997070060440826,42.142482698590285,3.320583403611926,72.60672124625779,0.014238651126507932,1.2287730567705555,33.241855447522944,4.230709047683525,68.78197558558442,0.16080414419942193,3.491329832858204,20.111250775168493,3.0720537180913796,51.21370799214457,0.11752996974173667,8.918127472835573,16.383414655602813,6.268797291307206,41.151391174076295,14.809630291308114,0.5534595433495352,13.963640402631343,5.167349190145984,41.7269258608052,0.25492814723465357,1.0469744567386565,29.360417202154686,2.526739801317556,48.53196517761229,0.011190137292636506,1.32381073787162,18.41020392312185,1.1505582395817822,41.24682141533539,0.006627652101689724,1.0816621968207663,10.683131259664957,1.5618346768316775,33.62563924862377,0.05422890831627203,2.567669944405255,6.699840400749747,1.1863534804297595,24.36884529126292,0.052513177757305525,53.81810647874763,0.8586914183022502,0.43997554370728853,0.9764378993736739,0.015579493586017392,0.5526783753589796,0.6546159265579911,0.561340135446278,55.11677344075717,70.26960006550537,145.7190276243664,0.9646568490605107,1.7686344373632488,55.067654470686385,0.4321632477865935,0.08526024050457293,0.9906913238716148,0.007774806902412462,0.57850949444248,0.16200012685050444,0.021079588497390563,55.58507795897755,28.530144210678717,86.14426382384474,0.9860369858074223,0.761589209790375,52.64752223907143,0.5679244943850824,0.2251020727893569,0.9851605833980179,0.01062722047343021,0.5288798611323574,0.2858568434665307,0.14693593132092286,53.440548806245864,41.878724812364695,102.04978450223548,0.977740875097027,0.9616726359198109,54.459442790657405,0.8515556090969129,0.4254338961755338,0.9770887828181694,0.015278258295680285,0.5658963605440949,0.6417233966910999,0.5248475810882013,55.73643229592985,69.90641752724294,145.37245055426132,0.965633174227254,1.7324673383233962,52.067074997386314,0.6413820221466162,0.2916404325356814,0.9823958351109432,0.012101525336376205,0.5173299441873792,0.366061323236064,0.2466405550772449,53.00009745206861,48.76680305254812,111.50619945812305,0.9735937526664149,1.130031822500688,54.18824281349252,0.8987830870939844,0.4667003933980484,0.9754204880287232,0.016178628276665323,0.5602987610714354,0.7166792225491866,0.6316047038450124,55.55372629398455,74.41261281904141,152.6962705968014,0.9631307320430847,1.9085826874656342,54.372393221224854,0.857571111850627,0.4276720908025758,0.9769080527806637,0.015407968554746508,0.5640695170695166,0.649230951015632,0.5303845216383927,55.65763642387805,70.24850802998337,145.84772154761094,0.9653620791709956,1.7436849897235414 +UMLCN0165,L,dodecyl vinyl ether,C=COCCCCCCCCCCCC,Ethers,Olefins,C14H28O,Marquardt (2015),IQT,PubChem,,101.7,0,-2.7846999999999995,7.754554089999997,50.7349,44.11220399999996,0,0,43,15,28,0,14,0,1,0,0,0.0,0.0,0.0,0.0,0.0,2304.1154869999973,2454.4958940000015,2615.995469000002,2425.060231999998,2244.4778709999973,2051.785397999995,1855.0286689999953,1658.2719399999958,1461.5152109999963,7015.972245521014,8900.287083518122,11483.799567519533,11829.900796807822,11118.021656083834,10235.558288852424,9228.759943897287,8221.961598942133,7215.163253987009,307.03593200000006,309.8476560000001,573.8502440000009,766.5263120000018,713.1696040000013,677.158560000001,614.2736600000005,551.3887599999999,488.5038599999997,52.13696533577205,67.32472068,95.08020441073486,104.49368101675172,98.85679342535575,91.61371618535578,82.59218732595984,73.57065846656397,64.5491296071681,7138.2665277414735,6115.650265871202,12380.624474491382,17902.25774872114,16665.424231141857,15926.13968420026,14447.184529161663,12968.229374123066,11489.274219084471,82.0,90.75,143.0,163.75,153.5,145.25,133.0,120.75,108.5,53.584081093023194,58.440378428571464,33.11386669620256,22.45426140740739,22.222553178217794,21.37276456249995,21.322168609195348,21.259896666666613,21.181379869565163,163.16214524467475,211.91159722662195,145.364551487589,109.53611848896132,110.07942233746371,106.62039884221275,106.07770050456651,105.4097640890017,104.56758339111607,7.140370511627908,7.377325142857145,7.263927139240518,7.097465851851869,7.061085188118825,7.05373500000001,7.060616781609201,7.069086666666665,7.079766086956517,1.212487565948187,1.60296954,1.2035468912751248,0.9675340834884418,0.9787801329243143,0.9543095435974561,0.9493354865052855,0.9432135700841534,0.9354946319879435,166.00619831956917,145.610720615981,156.7167654998909,165.761645821492,165.00420030833521,165.89728837708603,166.05959228921452,166.25935095029573,166.5112205664416,1.9069767441860466,2.1607142857142856,1.8101265822784811,1.5162037037037037,1.5198019801980198,1.5130208333333333,1.528735632183908,1.5480769230769231,1.5724637681159421,0.20177537909905896,-0.0375081067919188,-0.055817796310714936,-0.02778168426229101,0.007103414879884736,0.009507486529551488,7.539825737862226E-4,2.498763236772044E-5,-1.3943846358328892E-5,1255.185483999999,-21.81004800000172,-526.4630370000012,-27.014975999999447,-51.88548399999951,9.301460000000656,8.677360000000771,8.053260000000773,7.429160000000774,2117.8779254903693,-156.28815325415655,-936.3961339968271,62.528645552624646,-98.3922510891978,5.464407842364672,5.381241396894502,5.298074951424674,5.2149085059548455,1.219041860465113,0.06561306652244754,-0.19676053434288437,-0.14026625419145589,-0.021182416441320524,-0.0037518745267722357,-0.008723764196863961,-0.01369565386695569,-0.01866754353704739,9.432049343734425,-1.038060966512477,-4.109458524905985,0.5627352550052722,-0.4540969584963783,-0.019297389963819495,-0.019490526268522462,-0.019683662573225874,-0.019876798877929286,51.64805416073443,-6.206992038880599,-22.23240518919952,3.4934108222402216,-2.4973332692917314,-0.18517473795212602,-0.18828205889170668,-0.19138937983128734,-0.194496700770868,11.651162790697672,0.8581665765278519,0.4432125473228762,-0.4319902650081051,-0.3899405083829053,-0.19213088155759503,-0.3058409951325016,-0.4195511087074082,-0.5332612222823139,0.004692450676722301,-8.930501617123524E-4,-7.065543836799359E-4,-2.5723781724343526E-4,7.033084039489838E-5,9.903631801616134E-5,8.666466365358881E-6,3.20354261124621E-7,-2.020847298308535E-7,29.19036009302323,-0.5192868571428981,-6.6640890759493825,-0.25013866666666157,-0.5137176633663317,0.09689020833334017,0.09973977011495139,0.10324692307693298,0.10766898550725759,49.25297501140394,-3.7211465060513467,-11.853115620213002,0.57896894030208,-0.9741807038534436,0.056920915024632,0.06185334938959198,0.06792403783877787,0.07557838414427312,0.028349810708490998,0.0015622158695820843,-0.0024906396752263846,-0.0012987616128838507,-2.0972689545861904E-4,-3.908202632054412E-5,-1.0027315168809151E-4,-1.7558530598661142E-4,-2.705441092325709E-4,0.21934998473800987,-0.024715737297916117,-0.05201846234058209,0.0052105116204191875,-0.004496009490063152,-2.010144787897864E-4,-2.240290375692237E-4,-2.523546483746907E-4,-2.880695489554969E-4,1.201117538621731,-0.14778552473525236,-0.2814228504961964,0.032346396502224276,-0.024726071973185458,-0.001928903520334646,-0.0021641615964563985,-0.002453709997837017,-0.0028187927647951886,0.27095727420227145,0.020432537536377426,0.005610285409150331,-0.003999909861186158,-0.0038607971127020326,-0.0020013633495582816,-0.0035154137371551913,-0.0053788603680436945,-0.0077284235113378825,-0.19031636627369988,-0.15057257547424396,-0.05481950370187313,0.014988083038099145,0.021105457433457493,0.0018468955695901844,6.827013925022009E-5,-4.3065925196258136E-5,-0.017789669448682564,-0.22829759738188918,-0.008569221683786184,-0.01759888064858491,0.003319253617446735,0.003416873577342067,0.0035370212202901177,0.003688511726615921,-0.0755517104335273,-0.24065786112348653,0.011755004447305501,-0.019779124075812348,0.0011556848091197058,0.0012558297113071967,0.0013790849755380436,0.001534493786959546,0.05510498414418647,-0.08785383792634699,-0.045812002987902174,-0.0073978234851425,-0.0013785639249026358,-0.0035369954571886747,-0.006193526573848417,-0.009543065807897643,-0.11267717810619601,-0.23714823779318966,0.023754328620731784,-0.02049696741685738,-9.164098143424843E-4,-0.0010213314481731215,-0.0011504657667339314,-0.001313287298832344,-0.12304001896836392,-0.23430084188024264,0.026930250755759846,-0.020585888706244646,-0.0016059240318379176,-0.0018017900220987115,-0.002042855856265842,-0.0023468084297809206,0.07540870639673028,0.02070542459385023,-0.014762142381902611,-0.014248730262247624,-0.007386269128409707,-0.012974051896207485,-0.019851322995035513,-0.028522664815296903,1.278386010483284,1.3560586135780202,0.9796494085531401,0.7090305389063473,0.7297341667880913,0.7883900073269519,0.8472544283698233,0.9194852160697615,1.363008329691616,1.380203558167677,0.9669244241621066,0.9594861570717842,0.9250632958144549,0.9276327693347719,0.9307951982828542,0.9347826086956537,1.5044457588240951,1.3963849406831181,0.9432516608524707,0.992240816425586,0.9509087692108138,0.9466455313734718,0.9413984694198202,0.9347826086956508,0.9486860439384363,1.3456032452556217,1.0175434004593815,0.7033341918669203,0.7229433857699918,0.7789468584974656,0.8478742095466641,0.9347826086956534,1.5737156843593314,1.4054843021623002,0.929939632021815,0.9935849211803665,0.9519693518688829,0.9474257301104426,0.9418335802539006,0.9347826086956518,1.589522858795316,1.4078120731448764,0.9265341892880457,0.9907463348761003,0.9497295298631726,0.9457780449568164,0.9409146789182241,0.9347826086956511,1.072854291417166,0.9639392101872207,0.7635146373918831,0.7272040078259325,0.7463042664670662,0.802790969784569,0.8723130661753419,0.9599713616245771,148.39301225644908,74.32150612822458,119.21752494901055,148.60967892311584,9.907311928207722,74.32150612822458,0.25000000000007105,0.07134124544351422,0.004756083029567615,-3.9604209620202546,119.73515029956539,7.982343353304359,7.177923334128784,148.40705269915972,74.3281591391292,119.22624043466091,148.6230828677119,9.908205524514127,74.3281591391292,0.24926557909867597,0.07120132240950111,0.004746754827300074,-3.9633658313543036,119.80320692504858,7.986880461669906,7.178775681470183,161.0455508991252,80.32327821053357,127.3072740263858,160.69975568480822,10.713317045653882,80.32327821053357,-0.398994478058043,0.05465660892894669,0.003643773928596446,-4.360027709640105,123.73567255567397,8.24904483704493,7.227221426127301,148.4217889788615,74.3351418895402,119.23538846003899,148.6371511390512,9.90914340927008,74.3351418895402,0.24849480021889292,0.07105446475553545,0.004736964317035697,-3.966462880178748,119.87489290547026,7.99165952703135,7.179672959727268,174.79331567224273,86.8555107039517,136.65850548517446,173.8553273098153,11.590355153987684,86.8555107039517,-1.082294264339339,0.18932483883046192,0.012621655922030794,-2.4964365229014627,112.55250512802537,7.503500341868358,7.085129737525953,149.86627159333335,75.01970288960581,120.1351172133423,150.01632122109453,10.001088081406301,75.01970288960581,0.17313418587828266,0.05665858889526565,0.003777239259684377,-4.306067534502184,128.47620477363816,8.565080318242543,7.283615565493614,174.94516513152155,87.35414513763435,142.26061410251225,174.92883860090927,11.661922573393952,87.35414513763435,-0.02721088435376373,0.14134789046194013,0.009423192697462675,-2.9347966787562187,101.53393225393687,6.768928816929124,6.9305895758009415,0,11.889999999999997,15.994918150028239,-0.3536792344747529,0.053759299432197316,4.764837545720926,7.5711100795098405,14.0,42.0,41.0,41.0,13.0,1.0,1.0,0.0,0.0,1.0,32.52579599999999,3.538701979786437,3.4422196675062606,3.30371147470097,3.1298085651006757,2.901203439622111,2.622910968474191,2.318925512056899,2.0160139503869368,1.9411802346780282,1.8502432165384466,1.7113527970790614,1.572174345010966,1.4776472430934862,1.2987440420452412,1.102438901741905,0.9242345462959839,3.560297423638752,3.44482820337149,3.28360522514053,3.1444346834566637,2.9408888355468985,2.6598499075318967,2.3541243407759334,2.055171265452056,1.8839255809475672,1.794584475498546,1.66242279948016,1.5321606449913596,1.3981768393532787,1.2076408946643151,1.0015312176455025,0.8104838665739669,3.6863498227463474,3.589957751288926,3.4533838585452323,3.3055982362204754,3.116845717546909,2.877541656003148,2.6192764327336553,2.370917000705714,1.7067704424872798,1.5992505188934114,1.4409626757891434,1.3063945115717515,1.1515754458773564,0.9115870349945969,0.653775303201274,0.4108194740773177,3.579999413757203,3.4623730665802146,3.292991921274514,3.1591078158471517,2.9704057736181193,2.692551789721114,2.3915525069752044,2.0997636492077736,1.8480095918888102,1.7615807972196706,1.635060091583111,1.5001102998255598,1.3460103422722458,1.148468335713353,0.9357607612241966,0.7360420158662418,3.743919629342245,3.6463029667763354,3.506264806784339,3.368883638192202,3.201268817369689,2.9757642265300444,2.733002633472143,2.5032192706050624,1.6520514548377458,1.5425893820892018,1.3854662656997547,1.249729820047455,1.0725195097599847,0.8182716182502122,0.543976553439177,0.2816180979819268,3.8094388360552536,3.5287626023794547,3.4198595561859615,3.254741755947956,3.0462242134241713,2.7988234126309806,2.525579202534374,2.252749934453335,1.865303302252214,1.7481998431305745,1.5680048343268076,1.3463595359436966,1.120885940792569,1.0025761044121537,0.8332226966033489,0.6225135464294365,0,0,2,0,0,2,10,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.192388155425121,7.414213562373096,4.889087296526013,3.207106781186548,2.0909902576697323,1.353553390593274,0.8687184335382292,0.5517766952966369,0.7461592103616748,0.5295866830266497,0.3760836381943087,0.26725889843221234,0.1900900234245211,0.1353553390593274,0.09652427039313657,0.06897208691207961,10.47087993389206,6.639732466640739,4.219437993904729,2.733593218286196,1.7561656063590911,1.116796609143098,0.7013061078829085,0.433398304571549,0.6980586622594707,0.4742666047600528,0.32457215337728684,0.22779943485718301,0.15965141875991737,0.11167966091430981,0.07792290087587872,0.05417478807144362,22.30038835741906,41.760378732702144,39.50588235294116,40.040000000000006,25.660002395209613,330.5500922155689,0.5186136827306758,0.9711715984349336,0.918741450068399,0.9311627906976746,0.5967442417490608,7.687211446873695,4.9935900000000055,67.72300000000006,77.76872898825354,123.53029447214068,155.53745797650708,10.369163865100472,77.76872898825354,1.1102230246251565E-16,7.401486830834377E-18,-55.10520085451565,2000056.8187539596,133337.12125026397,21.76302922124649,294,0.0,0.0,1.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,12.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,11.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.069384572042331,5.0566628798151445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.47850104024986434,0.5560010402498643,0.0,0.0,3.1072250510178208,0.0,0.0,1.0345020804997287,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.269168135121036,3.5212159807230363,14.604784413021488,0.0,1.5354468990921082,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.069384572042331,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.069384572042331,1.5354468990921082,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.47850104024986434,0.5560010402498643,0.0,0.0,0.20830378107850636,0.0,0.0,0.47850104024986434,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.269168135121036,3.5212159807230363,0.8472222222222222,0.0,1.5354468990921082,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.069384572042331,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.069384572042331,3.5212159807230363,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.47850104024986434,0.5560010402498643,0.0,0.0,0.4934027777777778,0.0,0.0,0.5560010402498643,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.269168135121036,3.5212159807230363,1.4379119477604325,0.0,1.5354468990921082,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.069384572042331,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,27.0,1.8,0.5560010402498643,5.069384572042331,0.1582728684824506,0.8472222222222222,9.56945853506436,0.6527777777777778,1.5693845720423307,4.719537375772806,0.6527777777777778,1.5693845720423307,4.719537375772806,7.33333,0.48889,0.0,0.01111,0.45736,0.75111,0.42766,0.45037,0.75111,0.0297,0.00699,-0.02271,0.0,0.65089,0.0634,0.0,0.13636,0.0,0.0,9.0,0.6,7.5,0.5,1.5,0.1,-6.0,-0.4,0.0,0.0,15.8944,1.05963,18.73969,2.84529,0.18969,6.36667,0.42444,7.41421,1.04754,0.06984,-2.1E-4,-1.0E-5,-2.1E-4,-1.0E-5,0.0,14.01,1,1,1,1,0,0,0.8571428571428571,1.0562901796690893,1.8432281687624419,2.654324070983244,3.2340633010627857,3.6266350341147917,3.815540919147678,45.420477725770844,79.258811256785,114.13593505227949,139.06472194569977,155.94530646693605,164.06825952335015,0.19466248467765368,0.3396863684480569,0.48916228584002563,0.5960017520819136,0.6683483386932332,0.7031615838208675,4.369974575033009,3.583036585939656,2.771940683718854,2.192201453639312,1.7996297205873062,1.61072383555442,0.19466248467765368,0.3396863684480569,0.48916228584002563,0.5960017520819136,0.6683483386932332,0.7031615838208675,8.749641217538878,14.67676986014394,17.85095562001441,20.094340368449476,21.705485275710664,21.67736716404481,56.56914860513546,45.57719863731966,39.246141442245104,33.363936941840166,28.93889480974059,28.801354320656568,15.0,14.0,14.0,15,3,12,2.89,2.0969000000000024,0.07142857142857142,4.183406020535276,0.0,0.0,18.469590392623633,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.319,0.326,0.35200000000000004,0.181,7.013,13.0,12.0,11.0,10.0,9.0,8.0,7.0,6.0,5.0,110.0,2.772588722239781,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,4.795790545596741,1.0909090909090908,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,0.8571428571428571,13.0,0.9285714285714286,2,7.0,14.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.03571428571428571,0.017094017094017103,0.010416666666666666,0.0072727272727272745,0.005555555555555555,0.0045351473922902496,0.00390625,0.003527336860670193,0.003333333333333334,0.003305785123966942,0.10718014122760419,77.76872898825354,123.53029447214068,155.53745797650708,10.369163865100472,77.76872898825354,1.1102230246251565E-16,7.401486830834377E-18,-55.10520085451565,2000056.8187539596,133337.12125026397,21.76302922124649,9.23,256.85401146269464,4.906890595608519,4.007333185232471,4.653960350157523,5.313205979041787,5.973809611869261,6.639875833826536,7.305860032684009,7.9748769005588755,8.643473357326567,9.314069557738659,88.8264648084357,3.367295829986474,0.0,4.394449154672439,0.0,5.54907608489522,0.0,6.762729506931879,0.0,8.009363076630045,8.355144739461839,212.214015516,4.935209663162791,28.828448068700688,1.9218965379133792,2.8534103763262753,2.8534103763262753,0.0,560.0,12.0,6.726000000000001,54.0,1.2374999999999996,2.1422190758433985,2.8687060541033964,3.6302384233591063,4.937610165039549,5.96941167760482,7.283717338881008,8.400727863905995,9.698604696049474,10.853911191681009,83.72389290064278,78.61073933771658,78.5763055958788,103.83352363612133,125.97740191347425,151.52989305110947,177.31441816232146,202.48688502280532,227.47773255599478,251.47255602390433,287.32303295833145,331.5926168708304,347.9250379617134,471.3025903332156,582.9016010102033,706.4874328210349,830.8167819012609,950.8695331307609,1067.6278586487465,1176.029532289762,9.181642893428577,15.613398452442356,20.433757489249032,25.883360910963493,34.99884659387971,42.411561461885896,51.70190393245098,59.75361743388237,69.04178421670657,77.49800326561271,2.114432587182856,2.6974207506364962,2.9617356052519046,4.006687933238391,5.051335483752466,6.125436183140838,7.251853730086882,8.306924770544732,9.361764470429007,10.317414236539577,178.16371722179537,332.51901892798384,471.7233383833704,584.4672717332392,809.5761513577313,976.7277981010473,1199.717582553108,1384.6069080711084,1606.388399618701,1802.205860604469,2.75997619047619,3.9766763318677536,4.4858678525882,5.908095926142255,7.7552459117505,9.551055555928627,11.634494674042475,13.672760798906939,15.979851780628126,18.397438231300946,0.4516596428571426,0.5888730170212858,0.6474679794037292,0.8690465801793531,1.1012805557005152,1.338798223864757,1.5915304746625936,1.83050417472959,2.0747664427781456,2.303242533195239,628.2792935347123,630.4920305279417,22.362835408364568,116.97226917420208,-117.3842338368087,-13.402705749013121,511.30702436051024,747.8762643647503,35.76554115737769,0.843043242004056,0.8460123561984446,0.030007096297896926,0.15695675799594386,-0.1575095440392353,-0.017984136390530512,468.2261253243972,469.8751710264652,16.66593803468594,87.1737663956819,-87.48078370427034,-9.98838740397978,0.08810296235339872,0.35239649176819426,1.8769043203506823,6.432981127910466,726.9966104656836,18.25495224323081,0.9755049795845097,0.024495020415490166,965.7072299456848,31.075830317880243,9.88435862868836,1237.5811771165559,35.179271981048096,10.73638059534563,1596.8438979948016,39.960529250684374,11.68837547548568,4.150574793623338,4.150574793623338,6136.72186393084,6092.345013211556,84.36926315895471,1.0072840344108962,72.73646389881392,72.21048027565868,6.589974455937114,9.364340826787705,18.681400834867436,0.9949509720350286,8.054205631358661,11.008807931419687,6.8554774463680435,52.25279288182782,19.59916336331725,1.4647079150980082,10.712383033048896,8.163383308494529,37.62828348168349,0.9448523757246649,3.7628493768394318,32.88664723375176,5.0268434070493315,34.20482688579988,1.4494254887093536,4.0994676800530465,15.194690202218759,3.783932707953809,23.912016936788387,2.334782399533127,6.447162953635803,6.018060492264604,3.8911365791320804,10.142332788453956,3.231055515941532,8.451249423817854,0.18972561574171642,4.7854542615819895,0.18827520896676017,1.526885888558634,0.6759486925700828,11.175921838443575,0.5595370038774206,10.912170480312717,0.14135084083695343,1.2543299204785106,1.4578991541685575,0.21713836847924914,9.03708153176909,0.02755937555978139,1.9862918487564905,2.0948515675022903,0.11915884566387487,6.940912989260477,0.06513881611868826,2.4488900482982534,0.5248084971471315,0.08702533030249948,4.355838059662963,0.10869661442104878,2.7938441420996853,0.11393579123925027,0.09494386927054405,1.886282779856232,0.15101218268196914,2.9584456329214315,0.013298466244551976,0.22013377893792435,0.025637677704354732,0.14619322011086192,2.182006331816629,10.864324453092477,1.500888443332404,13.80778027099275,1.4469762573640206,1.2620433256236092,3.1481435260356787,1.001124072907112,12.59584253717226,0.12305504363029614,2.0621637404121778,7.092960537352086,0.5680970772391388,11.01069755873896,0.24750643570966277,2.642599728555966,2.1730716083604964,0.4035085619757817,7.355043690214508,0.40837446338804045,3.3009570895560127,0.6227843785267168,0.40789999006509026,3.162363878578488,0.5666546192117558,3.650018142099712,0.04435258349310707,0.598335859228654,0.03481176856755441,0.3143266288891188,7.602515102134637,11.175699201521937,7.078891064583214,48.15873494104816,17.464785320067595,1.5042203377207206,10.7656478482853,7.380461902670114,35.77628890859082,0.8562405835108988,3.6073394742628277,30.592610273140064,4.530834666493547,32.40613936459965,1.3292348485486525,4.070912037441774,13.821945407102408,3.402630542795501,22.571417415575024,2.143770434405595,6.348836713603425,5.410375130263205,3.4953618624419236,9.601360616572087,2.967123874447534,8.286014319662392,0.17717904850125726,4.648975222744562,0.17734278264477787,1.740424004306462,3.215868340929535,10.745943393942577,2.0639707883482017,17.39881088654875,3.1348751863211355,1.2639825500589141,4.192510454613602,1.7881290337862028,15.551270247785599,0.21585033737962553,2.202208237337943,10.894432833707551,1.0404246021191412,14.15695853644526,0.4024460002198,2.824096048713019,3.703862051949046,0.7508563634996455,9.662178180154996,0.6600316174367944,3.727056584533491,1.1788182581852957,0.75989203086026,4.135995303394483,0.9152420673720982,4.254360944939758,0.06714041820019286,0.9364639138874601,0.04863022586884384,0.37773443538382806,9.726617312734225,11.114765259523748,9.059033537683636,70.91493468016547,28.57273728290534,1.575981375919772,13.327902430150163,11.39880529155208,48.11259902217945,1.3097930493872494,4.585282727100789,42.08106208279587,7.08541438482257,42.99712902138983,1.9346831498918196,4.560460897558998,20.824272460963694,5.3717528532502605,30.065412735823678,3.1041584747418076,7.429862567441938,8.548100702110977,5.542156602290589,12.722494112704561,4.293856644728114,10.086460441614708,0.23820445190095108,6.855014684453154,0.25648259353735603,2.121537532158256,4.884184006221323,9.750160920426506,5.237819183874431,25.549886650040865,6.963806368952083,1.95215916260918,7.45258926437021,3.259675150164919,21.71781087665921,0.3835918537077691,3.3756027158677755,16.27630408700571,1.9654861632445497,19.259630892020205,0.6412094875422599,4.411494316880144,6.434471999923055,1.4607282899869176,13.362118425309479,1.0415807532424062,6.297751381796228,2.318789288195807,1.5001079843924618,6.0290459624155925,1.4427815041101482,7.760477884042589,0.12182277061517116,2.702117904269095,0.11039994380674548,1.4874111226337994,28.69235845043348,0.7994992878111601,0.461417445348836,0.9579038777752542,0.026691548183321055,0.5201203361882915,0.6479714508982688,0.5581328869983351,29.953275183593476,36.54757780291623,77.08554777014851,0.9368558166628814,1.7262246740848954,29.016716584080132,0.30442271655372277,0.09417063877538535,0.9864494592730743,0.010349124900631137,0.5320644607641206,0.09360141380242336,0.023247733861311275,29.41530993940924,11.594538105557879,41.841690039270695,0.9796741889096113,0.6489136084278553,28.47070844326332,0.5022536462525868,0.2410356777760505,0.9745570828768658,0.0171922258039915,0.5121242997246818,0.2565248346126284,0.1523043314460529,29.213997767291957,21.283034681449593,53.94372625132386,0.9618356243152987,0.9209534657833631,28.828646137906937,0.7827981702031579,0.4484690757172504,0.9590395610859329,0.02604126499660223,0.5250707866601216,0.6220384523730913,0.5272475807093248,30.059913383827343,35.84682850569885,76.02734865449868,0.9385593416288993,1.6743568197425378,28.342202631757548,0.5928955361255843,0.30873106721346083,0.9691686544846537,0.02027421003450631,0.5075008549075251,0.3571066320695805,0.2498677815390946,29.243829235096594,25.73712916163265,60.16886457560255,0.9537529817269805,1.1144752685162,28.76617725129142,0.8365314720771438,0.4887625222908074,0.9559578199567387,0.027799620206267306,0.5228011645843186,0.7091030833582539,0.6262466089769958,30.09147124565937,38.532507184328566,80.38546817330159,0.9339367299351081,1.8581508569195682,28.963561327164847,0.7862437733277687,0.45153434076305266,0.9590157874786178,0.02603340738767841,0.529997319425313,0.627252512398515,0.5344796367609114,30.20133944125567,36.20547838076056,76.68934736000335,0.9385236812179268,1.6917294685847395 +UMLCN0166,L,1-methoxy-2-propanol,CC(COC)O,Ethers,Alcohols,C4H10O2,Marquardt (2015),IQT,PubChem,,16.3,0,-0.49960000000000016,0.24960016000000015,23.8892,15.311930000000002,0,0,16,6,10,0,4,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1099.153125999999,990.1109929999999,1065.751312999999,840.5395029999997,466.63751800000045,136.178784,12.192768000000001,0.0,0.0,2437.686605235337,2869.8654876862583,3382.7832354595866,2998.0608275741156,2041.6710471349063,1142.4484397628214,373.00493317116315,0.0,0.0,124.05013599999997,118.71254000000002,205.9799960000001,213.4754920000001,198.1434880000001,98.39232,80.62156799999998,0.0,0.0,16.88813704849,20.152486776000003,24.825072729942985,24.010261065093985,18.279908566432997,10.732952842547002,5.335354858188001,0.0,0.0,2727.25651620749,2276.90590353725,4344.128303474843,4523.671115184695,4776.965066553434,2182.1636201514966,2219.011824290988,0.0,0.0,70.27777777777777,47.25,73.66666666666666,90.66666666666666,53.0,35.0,12.0,0.0,0.0,68.69707037499994,66.00739953333333,40.99043511538458,31.131092703703693,17.282871037037054,10.475291076923078,1.016064,0.0,0.0,152.35541282720857,191.32436584575055,130.10704751767642,111.03928991015243,75.61744619018171,87.88064921252473,31.083744430930263,0.0,0.0,7.753133499999998,7.9141693333333345,7.922307538461543,7.906499703703707,7.338647703703708,7.56864,6.718463999999998,0.0,0.0,1.055508565530625,1.3434991184000002,0.9548104896131917,0.8892689283368143,0.6770336506086295,0.8256117571190001,0.4446129048490001,0.0,0.0,170.45353226296814,151.79372690248334,167.0818578259555,167.5433746364702,176.92463209457162,167.8587400116536,184.917652024249,0.0,0.0,4.392361111111111,3.15,2.833333333333333,3.3580246913580245,1.962962962962963,2.6923076923076925,1.0,0.0,0.0,0.3765576357276632,-0.13400945028696443,-0.12553425769812923,0.11539394206049361,-0.042120191939891576,-0.047379908627139866,0.04537104862779989,0.0,0.0,591.5296957500001,-33.68971264062471,-94.18501034374987,-299.02572795312483,160.63319554687473,-286.143469171875,256.64587668749965,0.0,0.0,684.3519460595212,-132.86699321367465,-19.587145153274005,-411.45253322054526,271.20466260725516,-336.7631350390795,287.2891709895578,0.0,0.0,1.8813269999999984,-0.17145556249999885,-0.7318283749999974,0.07453018750000191,-0.1148638125000018,-0.34896468749999987,0.35191874999999695,0.0,0.0,2.915623878183748,-0.9470186046441413,-0.07112215166684419,-1.2588820259329536,1.0161072950385475,-1.056872797069172,0.8599763451826882,0.0,0.0,16.447254795433732,-5.851675568565976,-0.7065623832168351,-5.742579895911061,5.099365324160391,-5.088048494628539,4.065873620445158,0.0,0.0,26.937499999999986,-4.833767361111111,-4.578993055555554,-4.620225694444443,4.345052083333332,-8.786024305555554,5.005208333333332,0.0,0.0,0.02353485223297895,-0.008933963352464295,-0.004828240680697278,0.004273849705944208,-0.001560007108884873,-0.003644608355933836,0.0037809207189833244,0.0,0.0,36.970605984375005,-2.245980842708314,-3.622500397836533,-11.075026961226845,5.949377612847212,-22.01103609014423,21.38715639062497,0.0,0.0,42.771996628720075,-8.85779954757831,-0.7533517366643848,-15.238982711872048,10.044617133602044,-25.90485654146765,23.940764249129817,0.0,0.0,0.1175829374999999,-0.011430370833333257,-0.028147245192307595,0.0027603773148148856,-0.0042542152777778446,-0.02684343749999999,0.029326562499999747,0.0,0.0,0.18222649238648425,-0.06313457364294275,-0.0027354673718016993,-0.04662526021973902,0.037633603519946206,-0.08129790746685939,0.07166469543189068,0.0,0.0,1.0279534247146083,-0.39011170457106503,-0.027175476277570578,-0.21268814429300226,0.18886538237631076,-0.39138834574065684,0.33882280170376317,0.0,0.0,1.6835937499999991,-0.3222511574074074,-0.17611511752136744,-0.171119470164609,0.16092785493827155,-0.6758480235042733,0.41710069444444436,0.0,0.0,-0.37960567009404456,-0.20515279352090235,0.1815966237491537,-0.06628497572204274,-0.1548600484020339,0.16065198462071456,0.0,0.0,-0.06075044708916969,-0.09798325727653805,-0.29956303572377246,0.16092183112610095,-0.595365845489436,0.5784908259189445,0.0,0.0,-0.20709343135107636,-0.01761320013194176,-0.356284109066808,0.2348409689824345,-0.6056499247938625,0.5597298731912443,0.0,0.0,-0.09721113518985922,-0.23938205483518915,0.023476002330821918,-0.036180549391172066,-0.2282936459212036,0.24941171843065896,0.0,0.0,-0.34646210227786534,-0.0150113594130981,-0.255864334593301,0.20652103339688435,-0.44613659848335674,0.39327264929128414,0.0,0.0,-0.3795032879815271,-0.02643648595763503,-0.2069044561547631,0.18372951325955808,-0.3807452130910682,0.3296090985813203,0.0,0.0,-0.1914067199450031,-0.10460665913102109,-0.10163940687271444,0.09558591847841656,-0.4014317726614711,0.24774426398556337,0.0,0.0,1.3051658070958472,1.3433409441294857,1.0126714530051064,0.8783515970388626,0.9864621438873183,0.1345015103727833,0.0,0.0,1.1512833622605156,1.1531157498171063,1.3228774848217095,0.6570011587715889,1.4840782072175709,0.0,0.0,0.0,1.6168142850513794,1.0137533873838758,1.3137575772457428,0.5149833016808254,1.5395533785562392,0.0,0.0,0.0,1.0138269423656818,1.445918431306937,1.1629084742371274,0.8018430017157516,1.088494369215903,0.0,0.0,0.0,1.9440730303580607,1.0310517819053417,1.2328408711832644,0.4622838382987336,1.4048608506981823,0.0,0.0,0.0,2.0027522719560515,1.059585814913838,1.2018933118103654,0.46323457580739463,1.3423870590169193,0.0,0.0,0.0,1.1157514823408101,1.066690463442204,1.5152817163644707,0.4365386267938474,1.7562020346243095,0.0,0.0,0.0,18.61520414245894,9.557602071229468,14.838432932914522,18.94853747579227,3.1580895792987116,9.557801166099077,0.49999999999999645,0.01969127722485986,0.003281879537476643,-2.356547713055026,16.848434214238594,2.8080723690397655,1.6945546365057451,18.625436972850466,9.561984065523923,14.845293409272497,18.95779107831538,3.1596318463858974,9.562182189725757,0.49853115819738214,0.01989023764082043,0.003315039606803405,-2.3505157430603782,16.8564739839369,2.80941233065615,1.6948408774224752,27.76292826643388,13.482469655158916,21.20584481350738,27.23093562902318,4.538489271503863,13.482472554197537,-0.7979889561160487,0.1327876652455539,0.022131277540925653,-1.2114023570644292,32.564563925058714,5.427427320843119,2.0899348206000132,18.636176798686115,9.566583199561997,14.852494754472069,18.967503198978033,3.1612505331630056,9.566780310184535,0.4969896004378782,0.020098811727548127,0.0033498019545913547,-2.344256750218247,16.864933796735297,2.8108222994558827,1.6951419258139624,37.51596775350844,17.675689612415063,28.223028900576004,36.072908734389564,6.012151455731594,17.67568965084797,-2.1645885286783155,0.1836100915618864,0.030601681926981067,-1.0169645024233454,19.375187796509604,3.229197966084934,1.7783959607493078,19.688174083798664,10.017221227777636,15.562402252756426,19.91901966496974,3.3198366108282897,10.017340763818437,0.34626837175660796,0.03936359094755437,0.006560598491259062,-1.9409483865215778,17.81125219287456,2.9685420321457596,1.7278982419471447,17.861715130670298,9.435546303826772,15.2309793566695,18.504855835166772,3.084142639194462,9.435827331863603,1.0987103174603146,0.058073720028869624,0.009678953338144938,-1.7076252243218129,13.688048431386214,2.2813414052310357,1.5699138448922991,0,11.99646144579122,15.99825807502092,-0.40849893000607035,0.07562881476068424,4.225882799853435,6.147131121269416,5.0,15.0,15.0,15.0,5.0,0.0,0.0,0.0,0.0,0.0,12.848069999999998,3.416688518476816,2.886082556980135,2.242761686128439,2.0345677510034954,1.0215399891387604,0.7292036085594428,0.0839230705186919,0.08392307051869136,1.7325122927404553,1.4255699461020765,1.1261106558439806,0.6688657152444369,0.2941122008806535,0.08392307051869095,0.08392307051869116,0.08392307051869129,3.34521819101718,2.7987669271939426,2.301538582147645,1.8260236060933759,0.998762954943338,0.5167130646104677,0.27091390189293724,0.2709139018929372,1.7280578371008624,1.3856507199487613,1.0223426688070676,0.7000789888712379,0.1667253929796227,0.2709139018929366,0.27091390189293696,0.27091390189293707,3.546895882978722,3.0957829126328713,2.6019076527085936,2.330901272111609,1.5459267180870906,1.1521243243492696,0.943918426802623,0.9439184268026221,1.485216392806333,1.0388744660117748,0.6462130430892069,0.1529783027186851,0.430661140228341,0.9439184268026215,0.9439184268026217,0.9439184268026221,3.339707960819115,2.7993528745035094,2.3497017024684945,1.7912732694813074,1.0500358656085778,0.44364042265791725,0.3992772455089826,0.3992772455089825,1.725186280679829,1.360681208839526,0.9531269654109331,0.7055461676787566,0.07230620346879874,0.399277245508982,0.3992772455089822,0.3992772455089825,3.582691476251099,3.1635390156343224,2.7309726298568306,2.402658801592296,1.7355169231827,1.2085945586361473,1.2076448229620889,1.207644822962088,1.4427342849069889,0.9613105034001105,0.5217259813574252,0.06409863439939362,0.6228922601113727,1.2076448229620866,1.2076448229620877,1.2076448229620877,4.226692687656953,3.460816455622921,2.9174854067457274,2.4501085208527194,1.5038581057270541,1.2022031481937014,0.5853658536585372,0.5853658536585368,1.548107103717344,1.0633682432909088,0.8124429136048101,0.15388988573986626,0.30444869960263915,0.5853658536585362,0.5853658536585362,0.5853658536585367,0,0,0,0,0,2,1,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.18257418583505536,0.0,0.0,0.0,0.2886751345948129,0.2886751345948129,0.0,0.07453559924999299,0.07453559924999299,0.0,4.99156383156272,2.770055610029662,2.182521984712165,0.8660254037844388,0.5773502691896258,0.0,0.0,0.0,0.8319273052604533,0.5540111220059324,0.43650439694243304,0.2886751345948129,0.2886751345948129,0.0,0.0,0.0,4.139918936339995,1.9407208744593258,1.304363167307559,0.4078689325833263,0.24120226591665966,0.0,0.0,0.0,0.6899864893899991,0.38814417489186515,0.2608726334615118,0.13595631086110876,0.12060113295832983,0.0,0.0,0.0,8.13873722776308,16.10050983248361,15.325490196078437,15.600000000000007,8.953251497005985,124.70762275449104,0.5086710767351925,1.0062818645302256,0.9578431372549023,0.9750000000000004,0.559578218562874,7.79422642215569,0.013600000000000015,23.556799999999996,11.058784869492163,17.23047975218684,22.117569738984326,3.6862616231640537,11.058823127746619,0.07612893545072386,0.012688155908453977,-1.5451961142421704,21.33947531369422,3.5565792189490364,1.8363351951505158,31,1.0,0.0,2.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6877777777777778,0.0,12.980601851851851,0.0,0.0,3.1316177983539095,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6877777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4958333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.24625,0.0,0.4305555555555556,0.0,0.0,0.0,-0.3240740740740744,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.42736111111111,0.0,4.5532407407407405,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6877777777777778,0.0,4.5532407407407405,0.0,0.0,3.1316177983539095,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6877777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3736111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5622222222222222,0.0,0.4305555555555556,0.0,0.0,0.0,-0.3240740740740744,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.42736111111111,0.0,4.5532407407407405,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6877777777777778,0.0,8.42736111111111,0.0,0.0,3.1316177983539095,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6877777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5611111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6840277777777777,0.0,0.4305555555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.42736111111111,0.0,4.5532407407407405,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.333333333333332,2.722222222222222,0.6877777777777778,8.42736111111111,0.32638888888888884,-0.3240740740740744,1.472176296296296,1.6574074074074077,2.4273611111111113,6.9612037037037044,1.6574074074074077,2.4273611111111113,6.9612037037037044,2.66666,0.44444,0.0,0.05556,0.54583,0.95556,0.42,0.54583,0.86191,0.12583,0.0,-0.12583,0.09365,0.46511,0.24918,0.0,0.5,0.1875,0.0,3.25,0.54167,3.25,0.54167,0.0,0.0,-3.25,-0.54167,0.0,0.0,3.9041,0.65068,5.69868,1.79459,0.2991,1.91196,0.31866,2.77005,0.85809,0.14301,0.14395,0.02399,0.14395,0.02399,0.0,5.02,2,2,2,2,1,1,1.0,1.2987949406953985,2.216917186688699,3.2806390622295662,3.2806390622295662,3.0306390622295662,2.1556390622295662,20.780719051126376,35.47067498701919,52.49022499567306,52.49022499567306,48.49022499567306,34.49022499567306,0.3246987351738496,0.5542292966721748,0.8201597655573916,0.8201597655573916,0.7576597655573916,0.5389097655573916,2.7012050593046015,1.7830828133113008,0.7193609377704338,0.7193609377704338,0.9693609377704338,1.8443609377704338,0.33243698765337565,0.5674377442717724,0.8397058944822051,0.8397058944822051,0.7757163882797512,0.5517531165711627,12.425204132167778,20.71998439661589,21.792029929871962,21.792029929871962,18.792029929871962,11.415366887871961,22.237949406953987,14.452254680198294,13.966917186688699,13.9669171866887,12.466917186688699,8.216917186688699,6.0,3.2,5.333333333333333,6,0,3,1.68,0.7896000000000005,0.25,0.9999999999999998,1.1547005383792517,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.259,0.614,0.621,0.528,0.233,2.6799999999999997,5.0,3.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,21.0,1.791759469228055,1.791759469228055,1.3862943611198906,1.0986122886681098,0.0,0.0,0.0,0.0,0.0,0.0,3.091042453358316,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.4,5.0,1.0,0,2.0,4.0,1.0,1.5,0.44444444444444464,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3,0.08888888888888893,0.08333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.47222222222222227,11.058784869492163,17.23047975218684,22.117569738984326,3.6862616231640537,11.058823127746619,0.07612893545072386,0.012688155908453977,-1.5451961142421704,21.33947531369422,3.5565792189490364,1.8363351951505158,29.46,95.32085060538894,3.584962500721156,3.044522437723423,3.6109179126442243,4.290459441148391,4.875197323201151,5.564520407322694,6.154858094016418,6.846943139585379,7.438971592395862,8.131824785007195,60.95821513304474,2.3978952727983707,0.0,3.4339872044851463,0.0,4.61512051684126,0.0,5.860786223465865,0.0,7.1316985104669115,7.465655310134056,90.06807956,5.6292549725,10.67917749433882,1.7798629157231367,4.994503513263561,4.994503513263561,0.0,32.0,3.0,-0.22899999999999995,20.0,1.2140666666666666,2.078918481908688,2.830636641673696,3.395658296784044,4.777571544481271,5.417711570415346,0.0,0.0,0.0,0.0,92.27590515066663,95.2350788248099,97.3362367465819,72.7904139514326,50.849546434472735,5.504741689082496,0.0,0.0,0.0,0.0,252.6590863128025,289.87976565307565,330.7077419563579,295.1862982436961,430.02865115916643,168.4027618552844,0.0,0.0,0.0,0.0,9.692672522666665,16.593711203446404,22.5068952783864,25.330540186379128,36.04443229633743,36.398700148218964,0.0,0.0,0.0,0.0,1.7190918824054668,2.079428064517664,2.584488446029365,2.5069200178336364,4.046464414139881,2.408784478956404,0.0,0.0,0.0,0.0,182.62998647010147,344.40591252264153,472.947839414879,594.223639482851,796.8096779011041,1001.8305029458124,0.0,0.0,0.0,0.0,3.955255555555555,6.197389312195062,9.7206295899546,7.351401418085679,12.697649099131722,5.417711570415346,0.0,0.0,0.0,0.0,0.42195044000000004,0.5393888091562902,0.6670886713909326,0.6278410998368181,0.971619232722541,0.5547736648105314,0.0,0.0,0.0,0.0,385.42995989709283,311.5766842293314,25.64262846810739,110.15096340663223,-89.04463978894694,-22.245555253717058,275.2789964904606,400.62132401827836,47.88818372182445,0.7777336490833316,0.6287100039126736,0.05174256566851721,0.22226635091666827,-0.17967729507290664,-0.04488783608824162,191.011735394719,154.41146085028527,12.707997492159045,54.58871614785364,-44.128824801853945,-11.024472812041132,0.26004191361971773,0.4829596394625623,11.764189219559634,14.978260861911048,398.33892773531073,97.24199556841438,0.8037818023337876,0.1962181976662124,417.2028349962138,20.425543689121564,7.472210254121125,522.4170917962583,22.85644530097054,8.053891830064016,647.2988020260148,25.44206756586451,8.650374991376975,1.6860430353389297,1.4519576908987633,299.9786686456862,257.8310547296718,65.39006599210441,1.163469889072148,4.5875266234156635,3.942969789337785,3.460647326582267,3.2201944036352645,6.200953467646244,0.9256456879267948,3.224442582230595,3.045361873292564,6.683187310231012,6.876807825738799,7.565487413045365,2.631462435750015,2.482603136026374,2.1544368532407243,1.4931697861358928,2.062256623298919,1.1770218090657893,2.6132762472458695E-4,3.735918471545299E-28,1.0301141765252329E-73,5.478343286733364E-141,5.6193880855751E-230,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.29051041248692344,3.4264126337886753,0.6194201656431886,2.352643957149401,0.3301902955293792,0.4841975690499788,1.1766896749203994,0.18542735675361335,0.01582499269458711,0.16154885949452072,0.00828986084077467,1.8405518284630365E-6,2.6312379263532914E-30,7.255178372846665E-76,3.858441970676444E-143,3.957780975757499E-232,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8183532568891934,2.7177105395612013,1.2687127036734829,2.4687551640545733,1.1979768382803473,0.6326693122390754,0.8076671277075382,0.5431545518639478,0.1187409807280735,0.5290916174905915,0.08638674147717297,1.9179969125503667E-5,2.7419527887705956E-29,7.560455241699029E-75,4.020794020884479E-142,4.124312923256488E-231,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.266568909621782,3.4250143768520025,7.704114476597986,6.891773967831258,7.046483081907334,2.593364777085876,2.6130818151518618,2.126837623800169,1.3389234854892993,1.93866841399119,1.0487052413154991,2.3283820880661848E-4,3.3286360983800205E-28,9.178131855796637E-74,4.881105238893438E-141,5.006773615355399E-230,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1392012014635562,2.448401417542184,1.4834086702457192,2.769674401290848,1.94048487001106,0.7736086348926987,0.7636834913144015,0.7743156827474624,0.24673034805976402,0.7874649470197641,0.18764354605735914,4.166145589518734E-5,5.955887855114172E-29,1.6422319063108012E-74,8.733701898506719E-142,8.95855878734055E-231,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.074611587580775,3.2858707067995176,9.476841221677379,8.781932729232253,10.280175707333918,3.6512585089971843,3.310115018245219,2.704334488221381,2.169679373645031,2.528055260634793,1.7165756901615372,3.811217806796048E-4,5.448485983254759E-28,1.5023247147115096E-73,7.989648820381818E-141,8.195349403880449E-230,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.029534373040235,4.1724505608998586,6.939629198515493,6.7445627112314055,3.8034875560866834,1.7750537319061346,4.204816282697274,1.7500876317560927,0.5550697250904361,1.3619239594112484,0.4033102689005935,8.95447423208579E-5,1.280124354318913E-28,3.5297190105802163E-74,1.8771717627355256E-141,1.9255012119519681E-230,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.9764296108793893,0.7716698208782606,0.4802086060291976,0.7605576377941609,0.14759455932992616,0.5806082139090191,0.39678604481351665,0.37876250032944286,5.228308037786848,5.348568934974677,12.050392626697324,0.6408364566912413,1.3561567590519785,2.734667595191981,0.7122288996761419,0.13550950744533757,0.7633605999504177,0.19881300422570636,0.27613723798750034,0.3732590970082628,0.03058243870874631,3.5824060023134607,2.4147965385382255,6.261135667698452,0.6450408999256267,0.6799787737045095,3.385919604936995,0.6209454776331543,0.2836741577706405,0.7891594541547784,0.14472434415582544,0.42017206682697705,0.2656796892382392,0.13867613478182497,4.29053924034079,3.2391155439137385,8.126071606698257,0.6837391812321676,0.8245278908470411,3.8488463166133364,0.7989163538629541,0.45653140835931116,0.7540408638624796,0.15651848062116436,0.5445493705124212,0.4327505067876044,0.3449998886599714,5.1042940788356015,5.1967559035199615,11.704841270475832,0.6310612957937194,1.322299765959997,3.6870567160536183,0.6077090491880832,0.35832513791374604,0.7923887138231659,0.1306033047357771,0.4979247839698259,0.24615212689730728,0.21869238166529847,4.653090903155447,3.7795802663529483,9.235555160063685,0.6885830707347488,0.9627692925324317,4.017333111296206,0.801598611025528,0.49920075800939345,0.75540297767198,0.15072934230017854,0.5929440115119987,0.42919674671561636,0.40760758383129275,5.318132480331127,5.625903010620423,12.551606022067906,0.6331044665079699,1.4297483420589079,3.8914751436182717,0.8028864528865725,0.460415826458352,0.7549259307070678,0.1557557944810423,0.5570118676442061,0.43663926381444695,0.3501162597667479,5.154777422963196,5.285771048705066,11.879077515420885,0.6323888960606019,1.343767391225401 +UMLCN0167,L,propyl decanoate,CCCCCCCCCC(=O)OCCC,Esters,,C13H26O2,NREL (2014),CFR,PubChem,,53,0,-2.2461,5.044965210000001,50.6433,41.82061799999997,0,0,41,15,26,0,13,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2413.7872389999975,2478.181586000001,2856.324058,2668.5711569999967,2456.124191999996,2269.4897989999968,1924.9745049999963,1685.9331839999963,1489.1764549999968,6746.678631874182,8550.026451103575,11069.526593133767,11242.328084840716,10363.286437341252,9621.962793500463,8748.256787559727,7681.920017313765,6675.121672358643,299.4102040000001,298.1057600000001,558.4720960000004,730.9096200000013,659.9533680000006,590.8061960000002,568.4677,517.4800799999998,454.59517999999974,49.10204352607405,63.64807206000002,89.72951608958391,95.54371950935582,86.68405867856389,80.73672160146985,74.91616096746992,66.95800557916805,57.93647671977209,6827.088153405475,5835.954142770401,11979.867917095382,16820.661680804053,14977.917227719017,13339.186677107973,12937.988173873322,12012.98610089177,10534.030945853174,120.52777777777777,91.25,161.33333333333334,186.41666666666669,181.25,167.33333333333337,155.58333333333334,128.33333333333331,116.08333333333333,58.87285948780482,61.95453965000003,37.58321128947369,26.421496603960364,27.290268799999957,28.018392580246875,24.67916032051277,23.415738666666616,23.637721507936458,164.55313736278492,213.75066127758936,145.65166569912853,111.31017905782888,115.14762708156947,118.78966411728966,112.15713830204778,106.69333357380229,105.954312259661,7.302687902439026,7.452644000000002,7.348317052631584,7.2367289108911015,7.332815200000007,7.2939036543209905,7.288047435897436,7.187223333333331,7.215796507936504,1.1976108177091231,1.5912018015000005,1.180651527494525,0.9459774208847112,0.9631562075395987,0.9967496494008624,0.9604636021470503,0.9299722997106673,0.919626614599557,166.51434520501158,145.89885356926,157.62984101441293,166.54120476043616,166.4213025302113,164.681317001333,165.8716432547862,166.84702917905236,167.20684041036785,2.93970189701897,2.28125,2.1228070175438596,1.8457095709570959,2.013888888888889,2.0658436213991775,1.9946581196581197,1.7824074074074072,1.8425925925925926,0.2953634590423137,-0.1633218836843191,0.0380672120305899,4.887840818339719E-4,-0.03378014937403771,0.022001464311467087,-0.016201024017988813,0.001650237890113868,-0.0011891606640303618,1293.16543897561,-18.95825139084024,-270.16076502796113,129.44760598691258,-79.32023248304637,-124.44360890303426,-231.71676663652636,8.75031633551497,6.004424842356048,1983.6094831360215,-153.58957869931274,-759.8912248811221,149.2768905801785,87.77271263143253,-160.34372010646865,-213.4100444450089,10.02806194501435,9.662149374702075,2.148779512195123,0.04560828078524977,0.8388602212968486,-0.10810777394408161,-0.5038162950624617,-0.28255932897084957,-0.42271673051754877,-0.09358977751338637,-0.11546490898274903,8.797830263100245,-1.0493481150968953,-3.6295745610444277,0.2652655067848104,0.8365585955201467,-0.6612256768355043,-0.4909187976854404,-0.043807301246480856,-0.04465705502969591,48.594392461270914,-6.319828068364122,-19.691852233119924,0.6618086552496898,5.093526103253979,-3.6195720345240683,-2.029368534177289,-0.44198840064865474,-0.45565987338462455,40.819783197831974,0.302515037345496,11.167393747108195,-0.6644523762310831,-7.695865556216544,-3.5545310331152127,-9.285197303192549,-2.1875867539163245,-2.6539758080507667,0.00720398680591009,-0.004083047092107978,5.008843688235513E-4,4.839446354791801E-6,-3.7533499304486347E-4,2.716230161909517E-4,-2.077054361280617E-4,2.2919970696025945E-5,-1.887556609572003E-5,31.540620462819756,-0.473956284771006,-3.5547469082626466,1.2816594652169562,-0.881335916478293,-1.536340850654744,-2.9707277773913634,0.12153217132659681,0.09530833083104838,48.38071910087857,-3.8397394674828185,-9.998568748435817,1.4779890156453317,0.9752523625714725,-1.97955210007986,-2.7360262108334474,0.1392786381251993,0.15336745039209643,0.052409256395003,0.0011402070196312442,0.011037634490748007,-0.0010703739994463526,-0.0055979588340273525,-0.0034883867774178957,-0.005419445263045497,-0.0012998580210192552,-0.0018327763330595083,0.21458122592927426,-0.026233702877422382,-0.04775756001374247,0.0026263911562852517,0.009295095505779408,-0.00816327996093215,-0.006293830739556928,-6.084347395344564E-4,-7.088421433285066E-4,1.1852290844212419,-0.15799570170910304,-0.2591033188568411,0.006552560943066235,0.05659473448059977,-0.044686074500297136,-0.026017545309965244,-0.006138727786786872,-0.0072326964029305486,0.9956044682398042,0.0075628759336374,0.14693939140931836,-0.006578736398327556,-0.08550961729129494,-0.043883099174261885,-0.11904099106657114,-0.03038314935994895,-0.042126600127789945,-0.5667760369519667,0.06952877376352633,6.717733506704316E-4,-0.05210101061497528,0.03770454104220658,-0.028832012290425337,0.003181567556068064,-0.0026201555616724164,-0.015026853556343575,-0.11270377234503044,0.04063520141361147,-0.02794288455793748,-0.04870991211050494,-0.09418736010261029,0.0038531953253696945,0.0030217646144088486,-0.07936507639492879,-0.20666432691064004,0.030549132859385136,0.02015787240652573,-0.04091613636317184,-0.05655199554038382,0.0028788046294803845,0.003170011798962933,0.02175583280628187,0.21060467653955112,-0.020423376958052172,-0.10681240717929924,-0.06656050891327851,-0.10340626133291635,-0.0248020695279926,-0.03497047008730801,-0.12225534999072558,-0.2225616887354503,0.012239612971317945,0.043317375345982324,-0.03804284333627005,-0.029330761404221674,-0.0028354518756221283,-0.003303374469312335,-0.13330393574188554,-0.21861032796319171,0.005528518519494406,0.0477500385575127,-0.03770247886054682,-0.02195149077249471,-0.005179359726718543,-0.006102361558619986,0.007596265560165991,0.14758811967678526,-0.006607781110061252,-0.08588713692946068,-0.04407684032580303,-0.11956654963293975,-0.030517289073305743,-0.04231258644536658,1.6194096107589784,0.9559284836204907,1.0445373568643832,1.3041833339110955,1.0880975721668074,1.0134822623119826,0.8513840133288426,0.950525042780474,1.2355065213199958,1.1851939382851016,0.9206827631026772,1.0423108160605756,1.0525110542579574,1.0863882825149551,0.9280794272933215,0.9417797998210646,1.5014696248801547,1.3499907248844576,0.9177509058301394,0.928002555039614,1.0279753435385326,1.0156446757453308,0.9391204971170601,0.9291614343082167,0.7190146737864572,0.7069599481985543,1.0105785552800437,1.3864838077111488,1.1544652878277384,1.2294096445993894,0.8822000221869184,0.9942134056569517,1.6155860340533883,1.3932712296844483,0.9310915065375756,0.9001411769830335,1.0268632653082734,0.9862685729616172,0.9396209323206788,0.9285895083612267,1.6341050586623616,1.3929584384234415,0.937161176767738,0.9012861307834351,1.0292011731315605,0.9817628878486581,0.9385688738001996,0.9297918609560607,0.5797842323651452,0.5024939943219043,0.8602571792448954,1.364625172890733,1.3746058091286308,1.4991892754548357,0.8823789764868604,1.0006559968385695,137.32212478703372,68.91106239351686,109.36042621342659,137.75545812036705,9.18369720802447,68.91106239351686,0.5000000000000142,0.16131251601394142,0.010754167734262762,-2.736617553345784,96.47443418691792,6.431628945794528,6.853917063808631,137.3410673859533,68.91979927207535,109.37221226340641,137.7731277230577,9.18487518153718,68.91979927207535,0.4985311581974088,0.161121681153368,0.010741445410224534,-2.738393123845434,96.4622997104521,6.430819980696807,6.853728383153009,154.26218195523774,76.73209649956081,120.34087187224375,153.57059152660378,10.238039435106918,76.73209649956081,-0.7979889561161144,0.004265387080025718,2.843591386683812E-4,-8.185833517235372,118.2164361624065,7.881095744160433,7.1587757236985645,137.36094837850533,68.92896898947157,109.38458335386291,137.79167269888478,9.186111513258986,68.92896898947157,0.49698960043780005,0.16092140246827924,0.010728093497885283,-2.7402588249372544,96.44964341830303,6.429976227886868,6.853531563423312,172.4389153777933,85.13716342455746,133.07641966651624,170.5629386529387,11.370862576862578,85.13716342455746,-2.164588528678408,0.1633487739584749,0.010889918263898327,-2.7178014698610458,111.38271397819018,7.425514265212679,7.069458217050936,139.30781054535123,69.82703945855394,110.60186819240712,139.60790980087364,9.307193986724911,69.82703945855394,0.3462683717566364,0.14135994538595503,0.009423996359063668,-2.9346687559770066,95.58181370231665,6.372120913487777,6.839973853082029,140.73104626169706,70.5330557438961,113.80060253938053,141.47225041936264,9.431483361290843,70.5330557438961,1.1768009768009335,0.2639577049525159,0.017597180330167727,-1.9979495957756594,133.72174082509963,8.914782721673308,7.343641619852917,0,11.889999999999999,15.99592117447449,-0.31567922177585134,0.26149990927762073,4.269443072902512,7.525849782894252,14.0,40.0,39.0,39.0,13.0,1.0,1.0,0.0,0.0,1.0,31.29738199999999,3.5792581181004723,3.4563248163255054,3.2712165795901993,3.1236316772972623,2.843825727674676,2.5010756907606844,2.34100993219246,2.041680308478674,1.9271828194643281,1.8027782612464105,1.7500188566575703,1.58539369327183,1.3472572122903967,1.194240114796248,1.0664680028070885,0.8573119507648689,3.554512273170215,3.4237071175594043,3.2858807523883558,3.1209282388926027,2.8262849920017774,2.5095663638985304,2.3376056331157566,2.059430238288896,1.8736541489324003,1.76834109523819,1.6883476117233425,1.5296736296747335,1.3048501571168816,1.1233769711130834,0.9778087846497794,0.7747912784028077,3.6917182562223796,3.5899750923488787,3.450281673871128,3.2970191229254433,3.0464888817439038,2.775191440680046,2.618419773075485,2.378217674224673,1.694272212025882,1.55956566741834,1.463513207577857,1.2941615421978736,1.0199569452767006,0.7772965355366196,0.628484076631573,0.3783762779292095,3.5692081123062214,3.4267010754205414,3.3040986354223887,3.1351882034762375,2.834342277088844,2.5311904906892853,2.367875216881204,2.0887113127500885,1.844658180046222,1.7533768359285593,1.6474330790463196,1.496650908509331,1.2781201949964407,1.071469316776514,0.9236258610261788,0.7226443620185337,3.73827940186654,3.6305423555989647,3.518361049254638,3.359218323440674,3.113143110731952,2.8740820787618153,2.719834533678321,2.492819641621379,1.6426600082771616,1.513612904883471,1.3991326050574149,1.2324522133940725,0.9550833132868329,0.6837978480045989,0.5248498777831805,0.2687837395219828,5.086123125897096,3.5598457173894125,3.5126538088906094,3.3793256368320166,3.108552406194611,2.968640901194383,2.714734024797551,2.3523891768158887,1.7981420815697076,1.624889817192484,1.5222857185793006,1.3575780191127371,1.058597063442874,0.8308061585611485,0.7366096067593235,0.48417524331437384,0,0,1,0,0,3,9,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4505237851453038,0.08333333333333333,0.08838834764831845,0.09196278254943947,11.355524862241651,7.308060412490448,5.157395718865082,3.3509536313039003,2.1468294860719683,1.4528242655872443,0.7945759751233814,0.49935006017765643,0.7570349908161101,0.5220043151778891,0.368385408490363,0.2577656639464539,0.17890245717266404,0.13207493323520403,0.08828621945815349,0.062418757522207054,10.387564392793204,6.464690378025045,4.091790524017127,2.4516280866845843,1.5145106550639928,0.9581246384922567,0.5596452989020262,0.33322898591279504,0.6925042928528803,0.46176359843036036,0.2922707517155091,0.18858677589881417,0.12620922125533274,0.08710223986293243,0.06218281098911402,0.04165362323909938,21.473359658050043,40.203204661325586,38.12941176470587,38.68,24.341687425149725,315.6763580838324,0.5237404794646352,0.9805659673494045,0.9299856527977042,0.9434146341463414,0.5936996932963348,7.699423367898351,4.080300000000005,63.860000000000056,72.77835289945413,114.35725334881427,145.55670579890827,9.703780386593884,72.77835289945413,0.08350486496382825,0.00556699099758855,-3.7242755786740394,96.26951112967485,6.41796740864499,6.850727498489948,273,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.1122547697913,-0.02277019295372429,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.8703754803497774,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.240820336292572,0.0,10.836361753536526,0.0,0.0,0.0,0.0,0.0,0.0,-0.02277019295372429,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.114905946576673,4.997348823214624,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.997348823214624,-0.02277019295372429,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22109504132231406,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0148913435365525,0.0,0.5787037037037037,0.0,0.0,0.0,0.0,0.0,0.0,-0.02277019295372429,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.114905946576673,4.997348823214624,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.114905946576673,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2259289927560197,0.0,1.345775462962963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.114905946576673,4.997348823214624,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,31.166666666666664,2.0777777777777775,0.5559027777777779,11.114905946576673,0.10863447269020865,-0.02277019295372429,7.058371347689471,1.689436859620391,4.114905946576672,11.706150212167737,1.689436859620391,4.114905946576672,11.706150212167737,7.16666,0.47778,0.0,0.02222,0.48374,0.80222,0.42766,0.48374,0.80222,0.05608,0.0,-0.05608,0.0,0.59557,0.11872,0.0,0.18605,0.06977,0.0,9.25,0.61667,7.75,0.51667,1.5,0.1,-6.25,-0.41667,0.0,0.0,15.93766,1.06251,19.557,3.61933,0.24129,6.25049,0.4167,7.30805,1.05757,0.0705,0.10595,0.00706,0.10595,0.00706,0.0,14.02,2,2,2,2,0,0,0.9230769230769231,1.1546947117521669,1.742639012626172,2.9887857734287246,3.76038265204823,4.171474187957335,4.079347810555482,47.342483181838844,71.44819951767305,122.54021671057771,154.17568873397744,171.03044170625074,167.25326023277475,0.2155265521933986,0.32526777362572645,0.5578640712871218,0.7018844891858947,0.7786157156032498,0.761420105122485,4.202857292865917,3.614912991991912,2.368766231189359,1.5971693525698538,1.1860778166607489,1.278204194062602,0.2155265521933986,0.32526777362572645,0.5578640712871218,0.7018844891858947,0.7786157156032498,0.761420105122485,10.12501148078941,17.37521697517991,21.952992918687215,24.56839937327172,25.51891137057985,23.48363619305697,55.218571421802295,39.90843638291803,32.212792443171864,25.407586898110942,22.5641990022164,26.250963600140256,15.0,12.071428571428571,11.928994082840237,15,3,10,2.6699999999999995,2.014700000000002,0.07692307692307693,3.842974361169033,0.33333333333333337,0.0,13.058026029004413,2.894895043016866,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,6.851000000000001,14.0,13.0,12.0,11.0,9.0,8.0,7.0,6.0,5.0,114.0,2.772588722239781,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,4.859812404361672,1.1228070175438596,0.46153846153846156,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.0,0.7857142857142857,13.0,0.9285714285714286,2,7.0,13.0,0.8571428571428571,1.5,0.666666666666667,0.375,0.24000000000000007,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.01652892561983471,0.10714285714285714,0.04761904761904764,0.028846153846153848,0.020000000000000007,0.010101010101010104,0.009070294784580497,0.0078125,0.007054673721340387,0.006666666666666668,0.003305785123966942,0.25816577839856647,72.77835289945413,114.35725334881427,145.55670579890827,9.703780386593884,72.77835289945413,0.08350486496382825,0.00556699099758855,-3.7242755786740394,96.26951112967485,6.41796740864499,6.850727498489948,26.3,248.34825353738904,4.906890595608519,4.04305126783455,4.709530201312334,5.407171771460119,6.093569770045136,6.799055862058796,7.493873886783559,8.203304026795282,8.902591637374087,9.614538010517382,90.26668643418124,3.367295829986474,0.0,4.442651256490317,0.0,5.659482215759621,0.0,6.9440872082295275,0.0,8.268475388982598,8.584477938221834,214.193280072,5.224226343219512,28.649989518040517,1.9099993012027012,5.406040279874157,5.406040279874157,0.0,524.0,13.0,5.257999999999997,56.0,1.2406249999999996,2.137116925764413,2.8628047718591034,3.632580318127732,4.9346183353391755,5.909603301870086,7.181693645498154,8.280300520518368,9.559180338827922,10.682380336871466,88.09638656337498,88.6897224120449,88.83434880767493,123.1073602203064,158.89519200658592,170.27776789677233,190.39415982296225,220.56517868938312,251.60382449379173,284.72612372992313,290.1168424276861,331.76793825327104,349.5974992111894,486.6824895297975,641.1232207939802,733.6122295338735,827.2169917369365,947.2271931894418,1064.0805771420253,1171.2063885565044,9.295112654300004,15.781384949472772,20.78793984126573,26.82340765450544,36.11565689154301,43.22675633442291,51.810680235445616,59.98534957347945,69.56349830158362,78.31982305516446,2.104871416569499,2.640715000940285,2.8787139763116008,3.923460003829512,5.247063630804013,6.12231986619401,7.046693333891091,8.044248196394749,9.020171071217861,9.854572068113493,178.97176182222077,333.6469492852398,473.0749830647408,591.13250312337,803.5904178419731,965.8956219767625,1187.2423562467263,1370.6582234359091,1591.7661251908398,1785.8074729978468,2.9082333333333326,4.707013504349346,5.412377639871778,7.533372116909405,10.37510347381137,11.967757406023816,13.097312376474463,15.606171266972686,18.742056935982465,23.00980624294509,0.4563961874999999,0.589969136208128,0.6539561486434249,0.8926687031082826,1.187461945109779,1.3847725917141709,1.58804413897046,1.8280692386404125,2.075625456602939,2.305414055597898,576.7685622892088,638.7254300683724,17.258922251196257,242.51523671263317,-268.5663869275489,-23.75162819473206,334.25332557657566,907.2918169959212,41.01055044592832,0.7039911725239816,0.7796143788593778,0.02106586542077766,0.29600882747601837,-0.3278062952724701,-0.02899072119291188,472.5371388571336,523.2973968655015,14.139955388637492,198.6888044497571,-220.0320897662009,-19.459324179859344,0.23608856837545286,0.2850039374103346,1.1582480676595803,3.1167700067994164,772.5993149267233,46.68448407511863,0.9430179333071205,0.05698206669287949,1020.5555746523144,31.94613551984519,10.068054391529985,1272.4185127787937,35.67097577553484,10.836191208674139,1798.681458631923,42.410864865408286,12.16143303043331,4.225942455799553,4.225942455799553,5144.8595913955105,5066.302034908251,118.59158434049459,1.0155058967953303,43.38300748747762,42.720586482444844,6.537374884856223,9.059905673017287,17.15244012587391,0.8932250229666581,7.264640446906962,10.932649534620763,5.318436944206385,46.08987962512701,16.501281574398366,1.6801599037841883,9.110865718976344,10.777364891257024,29.869095012144815,1.4596359336110964,6.302591005837357,24.164130015997426,6.905455204852512,19.502737300650423,3.329113027026966,10.688565120545803,8.795109824108277,6.534499897441541,5.904953907673999,3.559549654726473,16.935060941463842,3.502646326437502,5.640641747970236,0.019098561201668217,1.0476773358499765,11.893489362709241,7.805082069464601,2.6380344020438447,0.11841941956812617,0.9708963010917369,0.6261784530586715,11.08331992878046,0.4413283774691342,10.558017798334468,0.1958476933970012,1.688843499207185,1.3159855361347836,0.6913240212021556,9.120145000890046,0.0867435151915648,3.816002547305745,2.283788501049418,0.4509880732666075,5.002615166689422,0.07666013399718204,3.9664298617444382,0.5564949115410022,0.5356084450506038,2.0274461276811424,0.10496989072694905,3.988635124325687,0.1662109621467886,0.7861950182820049,0.0017050536940202295,0.040232789830725015,1.9546186855532808,0.34127508322725136,0.6875362106323596,0.002752705177352735,0.012320965616175997,1.9739629405765946,10.802257668604744,1.1819803723443525,12.968016744059549,1.3084848458789602,1.5127662992078392,2.5231923312430915,1.7339570014719943,10.436798352033556,0.2990036849874909,3.8250925308214945,5.163791153081105,1.1110140534489783,6.882897945716323,0.38105231387921795,4.6422433819766695,1.5268376637737686,1.1180462981489034,2.5725771420740435,0.4665283682039552,5.5116938345598605,0.6116472999797626,1.3027048176255902,0.002557155306052259,0.11646315925036649,3.516657549475878,1.3084172899545374,0.9717937538115772,0.013617351272615746,0.08534464800059813,6.862343085041051,11.083181149166801,5.489041363475299,43.99156204621764,14.968064431235742,1.7681052552089787,8.907553884240722,10.692740378042263,29.553972998216206,1.3621600028302443,6.296822662269039,22.62936148750247,6.279099958553138,18.96084489653692,3.0028200113125423,10.499024780420596,8.600225623161196,5.941061962526431,5.927973896811353,3.226510262756668,16.403393280733113,3.216723405594961,5.55302724042976,0.01760302501178456,1.0443189456134745,11.119937048896016,7.151324368237212,2.478339073781725,0.10682948720819525,0.8688263361380505,2.901676438981358,10.695481681849703,1.6243375517242882,15.730178129691382,2.667064763460564,1.4513159814286714,3.3957061663464563,2.525240574145406,12.012151394315302,0.46220480486613214,3.9954655048814507,7.629717492184585,1.7591123680228185,8.408708681209625,0.6967518245229115,5.324941857089391,2.270429002303056,1.7085559557422687,2.982555080251779,0.8167473669570576,6.871282107270666,0.987452668857524,1.7029811692660126,0.003969846234714368,0.1808245371046526,4.727520120646833,2.1375308112230527,1.2007411891743867,0.024859962189786394,0.17188805917837116,8.773128456260098,11.028257138392984,7.0039055338041925,62.29738190409396,24.053367730544206,1.7829010469965139,11.468310003807362,15.03206935695098,38.50323546898155,1.889902968229513,7.302549557939863,31.368004611428127,9.49336198280218,24.31905522255636,4.681632741378119,12.85732708720673,11.980896830761269,8.991954058863104,7.03608574922867,4.930658349027908,21.19867909863081,4.660033109324766,7.647332035735966,0.02698077394122323,1.5243236137443086,14.94506606476839,10.449136881823145,3.2750574431868626,0.1664512385889151,1.398077744293361,4.695973900377647,10.951791536882306,4.365932000693874,33.681790506739574,8.251312116325403,1.8789427092007966,6.883720938479594,10.802242422135766,30.838789784876845,0.8859170459301365,5.634205394929703,15.639606476470739,3.243605972874957,16.828140672376314,1.4542052966663943,8.500362039378237,8.126848766527402,3.084783625006433,6.807150522138333,1.6140595976333825,12.270403253787943,1.7559603379637063,4.093366028486737,0.010582692585088914,0.7158626646814593,7.892318948476125,3.825091917823499,1.8990727629317854,0.05180942526836286,0.41156922323862927,27.279841393206404,0.8041951588852629,0.4844291780487807,0.9548934706852488,0.0281497496744047,0.5538210788757497,0.6131356303238717,0.5853532034451596,28.56846573014045,35.54304312679607,74.73906943040556,0.9323402060278733,1.7523099126447812,23.83945713670338,0.4653778781361452,0.09340136445889663,0.9770975559910078,0.01907424253545687,0.42295171949506505,0.20461861222172256,0.021760248648550945,24.39823637929842,13.364460731530981,38.79892509698568,0.9656463339865117,0.6493305803653385,25.58508975265461,0.5537676014067738,0.2505794452820124,0.9695201131875311,0.02098444182865442,0.4871452144837201,0.2907329701926451,0.15662038933110436,26.3894367993434,20.718054160190928,50.65774909860331,0.9542801697812967,0.9344985740074695,27.010953365725356,0.8030960204465334,0.4663241871193318,0.9551130325674078,0.028397645397619492,0.542954118631168,0.6114330334784273,0.5424170044522035,28.28037357329122,34.66275312698449,73.0588124403479,0.9326695488511118,1.6968041565617988,26.31388080974432,0.6098380524960074,0.32579021016767545,0.9656643993043137,0.022379781260481874,0.5153004302732063,0.3525023743753166,0.26474847789190914,27.249509072408003,24.81868985325122,57.29622148451983,0.9484965989564706,1.132551282540432,27.43902160131574,0.8397834866290292,0.5123241248051691,0.9530373539209631,0.02916813301845547,0.5603020514633085,0.6686115962360998,0.6547070626507191,28.791129212749937,37.53075129725945,78.1272819269187,0.9295560308814447,1.8836207103501272,27.09115548197395,0.8110206396447168,0.4691754713162038,0.9548771546266509,0.028585900710020453,0.5461826316726148,0.6234097384523596,0.5490703725663649,28.37135159293487,35.062502880313154,73.7423368890325,0.9323157319399763,1.7186627426913392 +UMLCN0168,L,propyl linolenate,CCCOC(=O)CCCCCCCC=CCC=CCC=CCC,Esters,Olefins,C21H36O2,NREL (2014),Other Ignition Delay Method,UML,"propyl 9,12,15-Octadecatrienoate",27,0,-0.17430000000000068,0.030380490000000236,92.87010000000001,62.56854799999995,0,0,59,23,36,0,21,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3578.060846999998,3753.365434000005,4254.610914000012,4076.0025890000047,3873.6305840000045,3703.167535000004,3359.668305000003,3130.7019440000017,2949.1004950000015,10445.651290178153,13085.527828803406,16814.56162340063,17267.116814985933,16440.644294995178,15938.392245248628,15095.769983738834,14082.002341001547,13283.191845709729,426.91897199999966,429.60620800000044,774.5857920000008,1007.4894920000023,930.2139440000019,895.0582600000018,879.438228000002,822.1313120000023,786.5194360000021,75.85937257456386,97.09471515999994,135.20082809928198,145.01654766269513,136.3812053322049,133.3258641845068,127.94991645535563,120.21607956735565,113.64193373250667,9690.619522367964,8381.534468619404,16426.509024121864,22931.561656048718,20872.1044466281,20126.167051826957,19909.88620061656,18768.171371299428,17997.091720046486,159.02777777777777,137.0,230.08333333333334,264.91666666666663,254.75,247.33333333333331,237.08333333333331,206.08333333333331,198.41666666666666,60.64509910169488,64.71319713793112,40.13783881132086,29.11430420714289,30.262738937500036,29.864254314516163,27.53826479508199,27.223495165217408,26.810004500000012,177.04493712166362,225.6125487724725,158.62793984340217,123.33654867847095,128.44253355464983,128.53542133265023,123.7358195388429,122.45219426957867,120.75628950645208,7.2359147796610115,7.407003586206904,7.307413132075479,7.196353514285731,7.267296437500015,7.218211774193564,7.208510065573787,7.148967930434802,7.15017669090911,1.2857520775349807,1.6740468131034472,1.2754795103705847,1.0358324833049652,1.0654781666578508,1.0752085821331194,1.0487698070111118,1.0453572136291795,1.0331084884773334,164.24778851471126,144.50921497619663,154.96706626530062,163.79686897177655,163.06331598928202,162.3077988050561,163.19578852964392,163.2014901852124,163.60992472769533,2.695386064030132,2.3620689655172415,2.1705974842767297,1.8922619047619045,1.990234375,1.9946236559139783,1.9433060109289615,1.7920289855072462,1.8037878787878787,0.3613859136903477,-0.16503997080507174,0.005019928901171446,0.003282612205949127,-0.035283881510944796,0.021880980599063266,-0.01246779034088872,0.0027714322887126483,-0.020042471560052046,1836.8549607457587,-17.041681953457676,-504.7834939839099,121.75075221344349,-167.35042753318035,-167.73828019448436,-249.48911144039155,-65.19193860614814,-40.72517262769374,3011.0401969839218,-142.40102180510894,-1162.3569969146959,190.14792946402258,-9.352132422085507,-207.33492708282404,-209.4923163858772,-79.36632478151918,-40.23342671932177,2.2671449491525344,0.05338076185003328,0.8039761930479629,-0.0950693030738298,-0.48054409307671125,-0.2479165033036517,-0.38174826773915876,-0.10393554495834095,-0.09896061706405798,13.454521940863922,-0.9684518754186263,-5.307229706638688,0.6437835026250514,0.6548806533459604,-0.7280310157754378,-0.3176034317732894,-0.2788183843244154,-0.12513747486291202,74.00832278597915,-5.821961253309438,-28.5836966520399,3.072637500811041,4.57475182821882,-3.7070136339956945,-0.7895710389412075,-1.424310145764256,-0.6271663954437882,44.59792843691147,0.20504963452392758,8.588185068147714,-1.816176705289013,-8.796259057103631,-4.473706470043717,-10.246752210412069,-3.2949264259950746,-3.2508458616617113,0.0061251849778025036,-0.002845516738018478,4.735781982237213E-5,2.3447230042493763E-5,-2.756553243042562E-4,1.7645952096018763E-4,-1.0219500279416984E-4,2.4099411206196942E-5,-1.8220428690956405E-4,31.133134927894215,-0.293822102645822,-4.762108433810471,0.869648230096025,-1.3074252151029715,-1.3527280660845513,-2.0449927167245208,-0.5668864226621577,-0.37022884206994305,51.03457960989698,-2.455190031122568,-10.965632046365055,1.35819949617159,-0.07306353454754302,-1.6720558635711615,-1.7171501343104687,-0.690141954621906,-0.365758424721107,0.03842618557885651,9.203579629316083E-4,0.0075846810664902155,-6.790664505273557E-4,-0.0037542507271618067,-0.001999326639545578,-0.0031290841617963834,-9.037873474638344E-4,-8.99641973309618E-4,0.22804274476040545,-0.01669744612790735,-0.05006820477961027,0.0045984535901789384,0.005116255104265315,-0.005871217869156757,-0.0026033068178138476,-0.0024245076897775253,-0.0011376134078446547,1.2543783523047314,-0.1003786422984386,-0.26965751558528206,0.021947410720078865,0.03574024865795953,-0.02989527124190076,-0.006471893761813176,-0.012385305615341357,-0.005701512685852619,0.7558970921510418,0.0035353385262746136,0.08102061385045013,-0.012972690752064378,-0.06872077388362212,-0.03607827798422352,-0.08398977221649237,-0.028651534139087605,-0.029553144196924647,-0.46456013138061136,0.007731655451059115,0.003828003583151506,-0.04500359177775419,0.028808847667404644,-0.016684394539025618,0.003934478924886763,-0.029746740313944347,-0.009437600913827907,-0.15295948977961052,0.027933204674382154,-0.04199465354616645,-0.04344978651258642,-0.06568540949894121,-0.018208459378571833,-0.01189179447965681,-0.048108362014339795,-0.21486670665625554,0.026613318000334788,-0.0014316476221815303,-0.0327631946094625,-0.033646796886271736,-0.013523026150059025,-0.007166874450949265,0.02395132249186926,0.19738313736410995,-0.017671971347085848,-0.09770032259531719,-0.052030317592742806,-0.08143103757657694,-0.02352009011170578,-0.023412211224125085,-0.0732206856458013,-0.21955622763712454,0.02016487564649484,0.022435509227187827,-0.02574612875899818,-0.011415872145149929,-0.0106318124364134,-0.004988597243204976,-0.08002262006037329,-0.21497303033795742,0.017496643400895594,0.0284923991172936,-0.0238327384931131,-0.005159443121704106,-0.009873660201952005,-0.004545289445865315,0.004677010353637118,0.10718471428417767,-0.017161979966278534,-0.09091286975064918,-0.04772908688080312,-0.11111270712456942,-0.03790401423235335,-0.03909678249035967,1.526267651635325,1.0538058346848447,1.0793480703232052,1.2698781688144132,1.0356648017847558,0.9707104559287989,0.8321310425546884,0.8844303918039159,1.199356740232539,1.2280861881282874,0.951085831733283,1.0617144653226491,1.040953055651776,1.053707764912439,0.9754279270218306,0.9676372161519419,1.3629729878265673,1.3336877124592614,0.9421997357707897,0.9790177208951801,1.026126414775193,1.0112712052347261,0.9952976733485271,0.981404321622023,0.7337792850968131,0.7538373945381346,1.0452825641343,1.3895329982882585,1.090215905601841,1.1349238548720553,0.8197430642980253,0.8487306231451226,1.4304315836617687,1.3564434849682334,0.9467787225685008,0.9559864710258882,1.0208594507244557,0.9890452910689796,0.9916308559572417,0.9775434548251983,1.4423094858468306,1.3550546274163102,0.9497248736346141,0.9548036465118611,1.0201516974222473,0.9839040105874791,0.9879064687209033,0.9743877312139858,0.6259633046893147,0.600837808670808,0.9177102530305457,1.3610468449792037,1.2913318583377666,1.3773490097236452,0.8335507720666199,0.8660206567074802,317.79177681838087,159.14588840919043,254.62217967665646,318.2482985575113,13.836882545978757,159.14588840919043,0.5,0.0104932451072966,4.5622804814333045E-4,-10.481154169495067,244.98025486126843,10.651315428750802,12.652708514256199,317.8141998490699,159.15636550363345,254.63550788333234,318.2693804717715,13.837799150946584,159.15636550363345,0.4985311581970109,0.010369610096292059,4.5085261288226345E-4,-10.508414470290283,244.84272586842596,10.645335907322869,12.6514169591259,337.89179178602546,168.5469014149545,266.8058552341521,337.1631931739191,14.659269268431267,168.5469014149545,-0.7979889561164555,0.10003839905960166,0.004349495611287029,-5.295062705038167,205.0096095333497,8.913461284058682,12.243030763768088,317.8377337991363,159.1673616997869,254.64949703562306,318.2915069125793,13.838761170112143,159.1673616997869,0.49698960043753004,0.010239850644390813,4.4521089758220927E-4,-10.537376963467468,244.69896249093802,10.639085325692957,12.650066080189172,359.57948174456084,178.70744660794122,280.50791144621815,357.6031183053327,15.547961665449249,178.70744660794122,-2.1645885286783937,0.21833898304100358,0.009492999262652329,-3.4999248484000436,237.57969952830481,10.329552153404558,12.582157231528036,320.1428715927076,160.24456998223218,256.02279995667516,320.4590296712681,13.933001290055138,160.24456998223218,0.34626837175673586,0.0024657258740861665,1.0720547278635507E-4,-13.812118797957039,233.0044536110902,10.130628417873487,12.537432405465543,341.16956996103465,170.71893017567416,277.75139270455884,341.89000770134817,14.864782943536875,170.71893017567416,0.8721088435374043,0.09413948059167815,0.004093020895290354,-5.434848848983017,189.55945900061334,8.24171560872232,12.062816309178112,0,11.889999999999992,15.995925211933656,-0.31570686836541195,0.2615279897654098,4.272639306547305,7.980394308333469,22.0,58.0,54.0,54.0,18.0,4.0,4.0,0.0,0.0,4.0,42.22945199999999,3.612722072195465,3.5716830874038075,3.4812627210646476,3.354208967073872,3.225852409226585,3.1161217701355115,2.905573812032742,2.720434750929605,1.9358443453166274,1.8827791167444623,1.8009608068112002,1.7557567643652645,1.6804830523741108,1.5414668249168828,1.3945513482420917,1.241364949123677,3.630331497525984,3.547963242430044,3.4657986401393233,3.344761141406675,3.2496176902213554,3.118314731545873,2.899716772438086,2.735513726643403,1.8864188314811074,1.8362960735511242,1.764093392298288,1.7030666734056519,1.618771138416962,1.4865516700625705,1.3408675289754872,1.1939066940564316,3.7236530085774437,3.675298926322408,3.5982937278847635,3.497762176333801,3.394601075515196,3.2715527295267095,3.092195553382218,2.927264652318221,1.7398611177905534,1.6748781571087341,1.5850950248986275,1.490630736428161,1.4165964485967428,1.2729524355767123,1.0855767911362586,0.9260373756272482,3.6450300255140933,3.5617249165945055,3.4732343243644848,3.3511556973084478,3.2712234256793433,3.132363059493728,2.913457445308487,2.7526053751012305,1.8572033221046624,1.8121549019587442,1.7455181210021384,1.6689504526966892,1.5793098149458435,1.4544676523423368,1.3078975746458397,1.157076889222364,3.7689798231117275,3.716089149851585,3.638068084512014,3.551863578876961,3.460132898808494,3.329008471547007,3.1588026150258237,3.000811940950597,1.6977929259329874,1.6283136695487235,1.5425429976551241,1.4391369735674502,1.3545444847143158,1.2167851826515328,1.0199223529779335,0.8596148197137101,4.849436678421085,3.734567277348899,3.595737497311109,3.447311991340142,3.423300918973396,3.311593939918127,3.078660140436479,2.936373906015543,1.8479136014135193,1.7265208679156725,1.6490063841447442,1.581802438739965,1.516062636714868,1.346747922779444,1.1910869597469569,0.9642396084157091,0,0,1,6,0,3,11,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4505237851453038,0.08333333333333333,0.08838834764831845,0.09196278254943947,17.012379111734035,11.308060412490446,7.985822843611274,5.3509536313038994,3.561043048445064,2.4528242655872443,1.5016827563099293,0.9993500601776565,0.7396686570319145,0.514002746022293,0.3629919474368761,0.25480731577637616,0.1780521524222532,0.12909601397827603,0.08833427978293702,0.06245937876110353,15.265879570304056,9.414180120808224,5.820778641646655,3.498898822337241,2.176475473850373,1.367120886864945,0.8219461031959098,0.5094444040804262,0.6637338943610459,0.42791727821855563,0.2645808473475752,0.16661422963510672,0.10882377369251865,0.07195373088762869,0.04834977077622998,0.03184027525502664,32.18249867697939,57.642388929351874,54.75686274509796,55.48000000000006,36.33445988023957,451.0457173652695,0.5454660792708371,0.9769896428703707,0.92808241940844,0.9403389830508485,0.6158383030549079,7.644842667207958,6.307670000000008,99.70400000000006,176.85375677481736,280.83642929497455,353.70751354963465,15.37858754563629,176.85375677481736,0.07213907591663693,0.00313648156159291,-6.0470666502965615,220.77165582722182,9.598767644661818,12.413396552374582,697,0.0,0.0,2.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,12.0,5.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,12.0,0.0,6.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.34833190302095,13.374767286447899,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8808321434075659,0.0,0.0,4.3268133758867755,2.0175714518643844,0.0,1.8808321434075659,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.1740710408134145,0.0,12.269496436384408,0.0,13.409005439836445,0.0,0.0,0.0,0.0,-0.034238153388543635,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.295298850580487,5.05303305244046,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.05303305244046,-0.034238153388543635,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2900543282317238,0.0,0.0,0.2680399747105162,0.3220243883228673,0.0,0.2900543282317238,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0168319826017336,0.0,0.565274915985588,0.0,2.202692545369995,0.0,0.0,0.0,0.0,-0.034238153388543635,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.295298850580487,5.05303305244046,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.295298850580487,2.286047989992344,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3234122418646761,0.0,0.0,0.5637282827479468,0.5256815178818697,0.0,0.3234122418646761,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1572390582116814,0.0,1.255951752961306,0.0,2.286047989992344,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.295298850580487,5.05303305244046,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,46.166666666666664,2.0072463768115942,0.5637282827479468,11.295298850580487,0.08216595300414697,-0.034238153388543635,11.47644507475067,1.7009048200552104,4.295298850580487,14.86281676734161,1.7009048200552104,4.295298850580487,14.86281676734161,11.16666,0.48551,0.0,0.01449,0.48192,0.76667,0.42958,0.46513,0.76667,0.05234,0.01679,-0.03555,0.0,0.63327,0.08102,0.0,0.1194,0.04478,0.0,16.25,0.70652,11.75,0.51087,4.5,0.19565,-7.25,-0.31522,0.0,0.0,25.13031,1.09262,33.91846,8.78815,0.38209,8.62181,0.37486,11.30805,2.68625,0.11679,0.10595,0.00461,0.10595,0.00461,0.0,22.02,2,2,2,2,0,0,0.6666666666666666,1.1308470166452782,2.45059338184659,3.8774945320093286,4.71282016785923,5.043494320474942,5.077392625559686,66.71997398207141,144.5850095289488,228.77217738855038,278.0563899036946,297.56616490802156,299.5661649080215,0.1922345121327656,0.4165803298421165,0.6591415626399371,0.801139917603956,0.8573517512714065,0.8631141789421491,4.751796032716563,3.4320496675152516,2.005148517352513,1.1698228815026113,0.8391487288869,0.8052504238021552,0.18992437563278813,0.4115741662013428,0.6512204720635735,0.7915123926360791,0.8470487128005424,0.8527418917482386,9.45111183912115,21.063730294964955,26.417908372691095,29.263492580150547,30.341986469812387,29.63091782899883,85.14116568851051,51.73978519525301,35.61892027666497,25.785207263718647,22.664281046141948,23.721179396837975,23.0,20.045454545454547,19.954648526077097,23,3,18,3.55,3.0129000000000015,0.047619047619047616,4.304039093853334,0.24253562503633297,0.0,29.770586248136542,2.9648823054630955,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.49000000000000005,0.47800000000000004,0.8580000000000001,0.48800000000000004,10.662999999999998,22.0,21.0,20.0,19.0,17.0,16.0,15.0,14.0,13.0,202.0,3.295836866004329,3.4339872044851463,3.4965075614664802,3.58351893845611,3.6635616461296463,3.6888794541139363,3.7612001156935624,3.828641396489095,3.8918202981106265,3.912023005428146,6.0112671744041615,2.014851485148515,0.47619047619047616,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.0,0.7272727272727273,18.0,0.8181818181818182,2,11.0,21.0,0.9090909090909091,1.5,0.666666666666667,0.375,0.2400000000000001,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.06818181818181818,0.030303030303030318,0.017857142857142856,0.012000000000000005,0.00584795321637427,0.004801920768307323,0.00390625,0.0032921810699588472,0.0028571428571428576,0.0025429116338207248,0.17110325839566864,176.85375677481736,280.83642929497455,353.70751354963465,15.37858754563629,176.85375677481736,0.07213907591663693,0.00313648156159291,-6.0470666502965615,220.77165582722182,9.598767644661818,12.413396552374582,26.3,378.80675444192434,5.523561956057013,4.48863636973214,5.1647859739235145,5.860786223465865,6.54965074223381,7.25063551189868,7.944846711001996,8.648396877031582,9.345482965918476,10.050743086817882,110.30396446202397,3.8066624897703196,0.0,4.890349128221754,0.0,6.102558594613569,0.0,7.3758821482150125,0.0,8.685246776412487,9.006509131694346,320.271530392001,5.428331023593238,44.64990992523806,1.9413004315320896,5.406957395297754,5.406957395297754,0.0,1956.0,21.0,8.640000000000004,88.0,1.2361876334989486,2.1529606968835107,2.9209121759166368,3.7354030055900713,5.0528609545220435,6.054305518515384,7.37844136925567,8.48600514767052,9.784411889868307,10.951401753277358,91.84946073772102,96.3177327516275,101.26465715166006,141.0207638276429,174.88783973475654,195.59398479886727,227.4722539836588,256.87740834482946,289.1472687524354,326.82417232042894,305.28790988528624,366.10483488370505,398.7906234875533,560.9329268101731,713.9230744025531,833.6165495857285,977.140230454765,1109.9708783561011,1248.6629733053662,1413.819362870498,9.207472110089796,15.809034667587563,21.097216025926386,27.35290471539108,36.60684619040143,43.828989655575256,52.93831031131893,60.91012641788682,70.22309569576689,78.24272142476714,2.208165845593293,2.8866730505160487,3.238730170978081,4.4846026806281385,5.817567618189997,6.879226465456815,8.157832835417102,9.295475875160447,10.487153542167716,11.907577495546565,176.4814691683844,330.0806344757831,474.10670591698135,593.8518712979286,810.0985779916853,971.9690680836945,1191.8489501942051,1372.4500326124773,1591.078651316034,1771.716187315156,3.0261379452810515,4.851063606052641,5.707549716178763,7.786613799901851,10.349973479692625,12.1116600709673,13.589429703534451,15.749033997320037,18.631517148370754,20.168176179062126,0.47043514067729525,0.6302825045024992,0.7159089942654331,0.9895403286580315,1.2791289233116276,1.510095140711463,1.7836596020999516,2.0371144851428924,2.3064714577240535,2.6046255694346163,727.6576539198763,1171.7473806994228,25.66420470708746,187.8922752511279,-302.56299812577333,-21.518109810631547,539.7653786687484,1474.310378825196,47.18231451771901,0.7947765935373321,1.279829033202368,0.028031463811400682,0.205223406462668,-0.33047132492242415,-0.02350293427483019,666.2069135070818,1072.7932314056661,23.496860801804075,172.02475929794898,-277.0115315038184,-19.7009039130176,0.16236061814556563,0.19600023741205944,1.0314165431392195,2.562075683137507,865.3398500090107,50.21007916199369,0.9451585571008052,0.05484144289919504,1568.6430618398176,39.606098796016475,11.619159433924613,1928.963669274782,43.9199689124979,12.448241810772513,2765.907485808048,52.59189562858567,14.037158914172915,6.302759335200907,6.302759335200907,20276.511169420108,20167.4170828281,153.41239669367496,1.0054094228400174,132.16996544227828,131.45884894228746,8.829675137494283,14.519456310068913,27.792700577129956,0.9141695104558668,14.62577438217111,16.568592419378362,9.296249529336523,56.31521093970687,29.73720976721613,1.753321330256822,20.554141019593278,14.322441171551382,55.71092983483086,0.6233222163929049,2.0037941555829786,36.889719868543665,5.903768812777391,61.81408738548044,0.01948023033760082,1.4409341789715366,30.68312962502314,2.24668583182306,56.55863566776806,0.001072587386537281,1.1559828185608676,22.282185284020056,2.596229561526018,50.37381142328209,0.0010694066919129809,3.0797391689739033,11.274653988210755,4.071953122409532,34.07402298560033,0.021332560116136823,1.2348302089773775,16.84524856352992,0.8023290882510086,19.54729209617071,0.28087971173453696,0.2268874865168456,3.428666471057348,0.27770863508314536,17.222415651976434,0.004444640980637797,0.4849882304455309,3.5673587977986907,0.17266228751544083,14.342073064844518,2.219391570948941E-4,0.4914354332810566,2.295522333178548,0.13351710716799917,11.848250623661212,8.348923763093754E-5,0.7232186083786404,0.6276875835218496,0.15576190685835214,8.47984641394073,8.557067770279257E-5,1.4427981005106139,0.19781890916687286,0.17278547830245308,5.727053874985257,3.095746506618388E-4,3.9649647774627947,16.309478188230187,2.4136378624359263,21.35348619879039,2.287758300026157,0.5282994888861806,6.60182248453007,1.2751848323803139,21.327918899876245,0.045887910841236806,0.6682979683341379,8.829169281080837,0.7249495181851578,20.78227986138901,0.0016474410147972348,0.557683442231501,5.157076892855317,0.46723144417321033,17.6207173238042,2.7381311771873805E-4,0.7406282038885376,2.7102615532168026,0.5437080713892871,13.859559617980112,2.789850250448953E-4,1.6154484246164496,1.10298543209087,0.6687574512371095,9.312945611485269,0.0019750328551221496,13.807821829746276,16.85472924762451,9.106828142149332,53.319511196548966,26.67655040403742,1.6612067319362955,20.3369125089788,13.28653946714702,54.24647480143191,0.5554063508256386,2.0964256701432014,34.75910306396445,5.4391573133410995,59.757671812613246,0.017414880460512688,1.3499731174906757,28.372322315271052,2.0828224703589724,54.1325771925096,0.001007941698230598,1.1474764038533578,20.208707184637152,2.4078393972495804,47.9040953205561,0.0010065564617726672,2.966696931556533,10.15566789998025,3.7271799489267785,32.242982538241236,0.01911663355941812,5.840232837843468,16.10660878186302,3.4614258642767397,24.225421034036437,4.814890661698695,0.7384816072843079,8.65341180971121,2.3932307095099774,24.96182166012011,0.09954088755679555,0.7762041900465941,12.891124273343873,1.260892917277183,25.87137419544525,0.0033699458535206912,0.6416501264907227,8.002281432595979,0.7252933828136437,22.442571019231774,4.079005004975924E-4,0.7702537374783868,4.8173415979079515,0.8427431139911727,18.328470173842646,4.1395735449655283E-4,1.783642529686701,2.117601579325894,1.0982733176803556,12.367436575854356,0.0038979665300685425,17.662745415389605,16.756148225506536,11.527142241187038,73.40844212766459,43.30816125799297,2.1103097005212152,25.143435919256078,20.823736308616713,70.07646470158194,0.9088797724171968,2.609602681251335,46.645486569221866,8.286738460938137,77.57930980088696,0.028133702960052704,1.8586151130399307,41.60502650635692,2.8927755348292936,71.57831416677017,0.001316589612563399,1.348099642124218,31.194102412980218,3.3380220786637107,64.88333178042691,0.0013050884557945246,3.672442568468028,16.113403027527,5.469112966326733,43.86609987866879,0.03059185135342172,8.529971872587325,16.1436425095611,6.46667619878922,37.45609807639132,11.343697539267334,1.0681825125554167,14.7734589584193,7.467133702081189,44.17400680123076,0.21624778422844226,2.340484303958495,21.818791448587138,2.960625379404507,44.08306219449092,0.006945056006871429,0.8265068191472524,16.42097497094885,1.044400797903712,38.781864071108636,5.459940121269073E-4,0.9519371887548714,9.246560063415377,1.3522126372982937,32.37303766329192,5.466904722487789E-4,2.2694265726850893,4.421208450810076,1.7364885423278285,22.523010710815747,0.008099130572318272,66.78379817030834,0.88653677413912,0.37266279729341306,0.9814940609140729,0.01302906696592051,0.5424586764402513,0.6338659513353886,0.47451868759404636,68.04299774174088,84.42450930884321,174.5314898153487,0.9722410913711093,1.6508433153696862,63.02132565976072,0.4117439886235893,0.06914766483861474,0.9924271675256594,0.006483930893195012,0.48304577585564434,0.13544265957911175,0.016337149303573533,63.50221731322293,30.33490063522702,95.63140663964836,0.988640751288489,0.6348255847383296,64.1035776546817,0.5614555324495967,0.18508856293415799,0.9884881620074522,0.008657740607079585,0.49979155188478636,0.2542301090966593,0.11705242309662199,64.85012175006545,47.960066388729146,119.47176767461013,0.9827322430111783,0.8710740840780676,66.73923263382228,0.8769176908565485,0.360048117126517,0.9818029569711518,0.012900363817892535,0.5417296940675149,0.619183439002477,0.44293737719904386,67.97619844180534,82.86988138253359,171.91782882769172,0.9727044354567276,1.6038505102690357,64.73754062642371,0.6436222779328373,0.2416150061853867,0.9865102131865708,0.009807909668350736,0.5097342300805731,0.33465193877791055,0.1994660783561249,65.62277791054193,57.463593445292304,133.1536286565731,0.9797653197798563,1.0438522472146086,67.17311898073866,0.932446531844063,0.3969357373914881,0.9805936681876116,0.013611861097472174,0.548799934327655,0.7008866610748082,0.5383461910360535,68.50250124997422,89.66887469393969,183.03358153867822,0.9708905022814174,1.7880327864385168,66.78661181157281,0.8813640789587971,0.3616454001834711,0.9817284080734413,0.012955592905514067,0.542496525045192,0.6247725803030348,0.44687610465317906,68.02962129071508,83.33513282662237,172.6524032540532,0.9725926121101619,1.6141452100014058 +UMLCN0169,L,methyl heptanoate,CCCCCCC(=O)OC,Esters,,C8H16O2,Marquardt (2015),IQT,PubChem,,34.2,0,-1.0546999999999997,1.1123920899999995,34.0827,26.352687999999976,0,0,26,10,16,0,8,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1682.3059939999982,1635.7901009999994,1843.901408999998,1651.0298839999973,1334.7043179999978,1095.6629969999979,898.9062680000002,702.149539,307.65789700000016,4318.256678818236,5285.07577865174,6589.855448750537,6561.8754751078495,5727.8617526943435,4661.524982448398,3654.72663749328,2647.9282925381544,1675.7842339403048,194.52298400000006,189.22686000000004,344.6847239999999,410.08301599999976,379.8129999999998,328.82538000000005,265.94048000000015,203.05558000000016,140.26646800000003,30.71141447758398,38.56812896000001,52.16184904133904,54.381050670678064,47.85157438928205,39.893419000980046,30.871890141583982,21.850361282187983,14.232906895094004,4343.939852712984,3670.756885191401,7364.36967892439,9271.623266696879,8501.122708757533,7576.120635775981,6097.165480737384,4618.210325698788,3113.018666976894,99.27777777777777,66.0,113.16666666666667,120.58333333333331,118.83333333333333,91.58333333333333,79.41666666666666,70.5,50.0,64.70407669230762,65.43160403999997,40.08481323913039,29.48267649999995,26.170672901960742,24.348066599999953,24.96961855555556,26.00553848148148,17.092105388888896,166.0867953391629,211.4030311460696,143.2577271467508,117.17634776978302,112.31101475871262,103.58944405440884,101.52018437481334,98.07141824215387,93.09912410779471,7.481653230769234,7.569074400000002,7.493146173913042,7.322910999999996,7.447313725490193,7.307230666666668,7.387235555555559,7.520577037037043,7.792581555555557,1.1812082491378453,1.5427251584000004,1.1339532400291095,0.9710901905478225,0.9382661644957264,0.8865204222440011,0.8575525039328884,0.8092726400810364,0.7907170497274447,167.07460971973018,146.83027540765605,160.09499302009544,165.5647011910157,166.6886805638732,168.35823635057736,169.36570779826067,171.0448268777329,172.94548149871633,3.818376068376068,2.64,2.460144927536232,2.1532738095238093,2.330065359477124,2.035185185185185,2.206018518518518,2.611111111111111,2.7777777777777777,0.2773116469611111,-0.153937057250776,0.029892073652329036,0.014088879432743267,-0.03708600035045827,0.003540553246244466,0.0037080873949819964,0.03038507448193985,-0.041400474895961645,882.395309538462,-16.007614863906106,-95.42275602958625,29.602868532544733,-245.79066824852012,13.298953491124792,6.4707824852074225,-0.35738852070994653,-265.95072798816557,1232.2230783781736,-150.64003299049494,-283.2927018492386,-12.21983333305755,-214.00733271361088,15.746903531416535,14.836993722695581,13.927083913974627,-115.79469249764477,2.0122338461538454,0.022008994082841786,0.6685970414201198,-0.11305074556213181,-0.558389159763312,-0.15156411834319666,-0.20596071005917152,-0.2603573017751463,-0.6380117396449672,5.440849319686152,-1.0618528482268264,-1.134349316689112,-0.3650901085758711,-0.5019830836026892,-0.06923535923680917,-0.0713484304048329,-0.07346150157285596,0.339465590698967,30.335418731686136,-6.44520119482697,-5.590667610154573,-2.5925108726989476,-2.16947284538729,-0.6994692695829292,-0.7334659347740227,-0.7674625999651215,3.078540841049005,38.76068376068371,0.612590401051941,10.205456936226172,-0.040105193951349594,-12.665187376725822,-3.5345167652859937,-4.610946745562127,-1.6745562130177536,-10.3214990138067,0.01066583257542735,-0.00615748229003104,6.498276880941095E-4,2.5158713272755833E-4,-7.27176477459966E-4,7.86789610276548E-5,1.0300242763838879E-4,0.0011253731289607351,-0.0023000263831089805,33.938281136094695,-0.6403045945562442,-2.0744077397736143,0.5286226523668702,-4.819424867618042,0.2955322998027731,0.1797439579224284,-0.013236611878146167,-14.775040443786976,47.393195322237446,-6.025601319619798,-6.158536996722578,-0.21821130951888484,-4.196222210070801,0.3499311895870341,0.4121387145193217,0.515817922739801,-6.4330384720913765,0.07739360946745559,8.803597633136714E-4,0.014534718291741733,-0.0020187633136094967,-0.010948807054182589,-0.0033680915187377035,-0.0057211308349769865,-0.009642863028709123,-0.03544509664694262,0.20926343537254433,-0.042474113929073055,-0.024659767754111134,-0.006519466224569127,-0.009842805560837043,-0.0015385635385957593,-0.0019819008445786917,-0.0027207963545502205,0.018859199483275944,1.1667468742956206,-0.2578080477930788,-0.12153625239466463,-0.04629483701248121,-0.04253868324288804,-0.015543761546287315,-0.02037405374372285,-0.02842454073944894,0.1710300467249447,1.4907955292570658,0.02450361604207764,0.22185775948317765,-7.161641777026713E-4,-0.24833700738678083,-0.07854481700635542,-0.12808185404339242,-0.062020600482139025,-0.5734166118781501,-0.5773091079844113,0.060926109940186525,0.023588138192529046,-0.06817812602227447,0.007376729427472975,0.009657232748589414,0.10551198146063573,-0.21564433595253812,-0.018866736119857737,-0.06112294642899284,0.015575999569543883,-0.1420055673500917,0.008707933634519367,0.0052962009832390605,-3.900201022281152E-4,-0.4353502873212144,-0.1271406428422967,-0.12994559566725225,-0.004604275108171437,-0.08854060549282872,0.007383574523890401,0.008696157997305182,0.01088379711966315,-0.13573759752537554,0.01137509633381122,0.18780256395527925,-0.026084367010410555,-0.14146913588242216,-0.043518987445003494,-0.07392252247109306,-0.12459508084790899,-0.45798479862665487,-0.2029695911923547,-0.11784078623296142,-0.031154349602274048,-0.04703547728399968,-0.007352280802695936,-0.009470841578464883,-0.013001776204746341,0.09012180962097642,-0.22096313559761682,-0.10416676922150535,-0.039678560990729,-0.036459221944407746,-0.013322308281881,-0.01746227411667412,-0.024362217174662828,0.14658710513212014,0.016436604189636224,0.1488183692056951,-4.803906126949347E-4,-0.1665801932680459,-0.05268651231165016,-0.08591510474090414,-0.04160235207644259,-0.3846380007350242,1.5828070732957973,0.9832168232606306,0.8889109928524018,1.0027775540990027,0.8361437627808475,1.0142345909903319,1.2262271531666562,1.6384499394643242,1.1246481902981427,1.0749263656538404,0.9132216883569871,1.118346031789671,0.9027777777777776,0.9379145063044297,0.9964757205155172,1.537568717375891,1.5035364552620796,1.2122773251640941,0.9763745035482233,1.0254812609651769,0.9027777777777777,0.874721932525027,0.8279621904371092,0.9165461553679858,0.7088758608878613,0.7532630003441158,0.8326877630065935,1.2202510144882697,0.902777777777778,1.112102907616046,1.4609781240131594,2.3763128879687057,1.6875178376234876,1.2340948784626018,1.0040912831023265,0.9803877848962043,0.9027777777777783,0.871561687744243,0.8195348710216839,0.6562760904726316,1.716599977139908,1.22594995517819,1.0077106366459818,0.9732598095245325,0.9027777777777777,0.8781729151095934,0.8371648106626196,0.625801071081184,0.5525358324145541,0.5137277695220753,0.8767743936052933,1.490206887606202,0.9077545020213167,1.1242420066152163,1.3865153742496648,2.320148842337379,58.20816375570939,29.354081877854693,47.17235483094794,58.608163755709384,5.860816375570939,29.354081877855474,0.49999999999999645,0.17923686799525074,0.017923686799525072,-1.7190470630215346,117.75351945975724,11.775351945975725,4.7685936217046905,58.21856633840365,29.358548748300535,47.17774287176561,58.61739126496159,5.861739126496159,29.358548748301313,0.498531158197423,0.17906131191504737,0.017906131191504738,-1.720027007124494,118.59331482515297,11.859331482515298,4.775700117564746,67.65084643324008,33.426428738561995,52.26454696136266,67.0124552683472,6.701245526834722,33.42642873856201,-0.7979889561160931,0.02087458840574563,0.002087458840574563,-3.869222725529632,50.489617780262854,5.048961778026285,3.921767726635453,58.229484720283835,29.36323716036085,47.18339857920934,58.62707640063413,5.862707640063413,29.363237160361624,0.496989600437864,0.17887705673434062,0.017887705673434062,-1.7210565430061993,119.49919399646443,11.949919399646443,4.783309626549358,77.98742723605571,37.91141935368871,58.33831004569775,76.25575641311306,7.625575641311308,37.91141935368871,-2.164588528678294,0.1493260057046773,0.01493260057046773,-1.9016234053810745,53.335186356846556,5.333518635684656,3.9765962701530246,59.30093300038145,29.823600686069042,47.74094330165488,59.577947697786755,5.957794769778676,29.823600686069515,0.34626837175663283,0.16082095436339683,0.016082095436339684,-1.827463617522095,126.77561706040392,12.677561706040391,4.842418729035862,61.94471693510816,31.12116235126509,51.50330689353375,62.43298788683566,6.243298788683566,31.121162351265255,1.175198412698439,0.2683431407302493,0.026834314073024928,-1.3154887415943162,50.320502789174775,5.0320502789174775,3.918412604178014,0,11.996291895232918,15.998259707158716,-0.3495906604277326,0.26121910672032284,4.016470547730319,7.211437870049197,9.0,25.0,24.0,24.0,8.0,1.0,1.0,0.0,0.0,1.0,20.365311999999992,3.5551787584598804,3.33105276612379,2.943095361389099,2.6274190828529,2.297459173618076,1.7971688894602096,1.382578395747422,1.1370181743104075,1.892088926670397,1.669101480744041,1.4461886332624327,1.288945592603077,0.9648486245333608,0.69964014830764,0.5424595305515342,0.40089839117069204,3.518531825554829,3.273112914034261,2.9109254402504297,2.6187289008270422,2.2723483706731775,1.8231121218718385,1.4626729988161364,1.2523405557938856,1.8423489501219128,1.6445781077685186,1.4199532868758218,1.2076217910022886,0.9009725662480733,0.624842476190644,0.4447168049057477,0.354960325400868,3.664309939010356,3.46472206083794,3.1504145912009784,2.8796109861019255,2.5682737475882607,2.190207729392478,1.9006822435092285,1.7383774520913602,1.6557855572722442,1.4108707464542405,1.1076398720367897,0.8885365290041299,0.5380109416941417,0.1857458713922553,0.057476688475089785,0.18531873759252973,3.529264047546083,3.268740530037195,2.9104050783144473,2.645352333383215,2.2866733116269398,1.8568473908575545,1.5258948177066292,1.336803804406871,1.8174346276533204,1.638296892042541,1.3921719890019055,1.1576611349184431,0.8656668042738901,0.5742971031593088,0.3680694958245282,0.25610772136772275,3.7070583184953914,3.500840993371648,3.2185241325710816,2.972142126998237,2.6558928975968006,2.3195406955059776,2.0744381873668436,1.9395775429936717,1.6060232658677203,1.3670184511897743,1.0451889964325998,0.7927445640913361,0.44914452962037144,0.06523339069358586,0.22056815328098892,0.3799980289917709,4.95998960750833,3.4824607375155727,3.342545058046228,3.136321047541377,2.648323395208928,2.1561142208303004,1.8979295623940462,1.6729915935659758,1.7734131702493816,1.4630101646667395,1.0842051669977677,0.9691656312310661,0.6231217862139142,0.3089306592499116,0.12358019321408763,0.2088164214932912,0,0,1,0,0,1,5,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.49279927982674443,0.348461712529338,0.24639963991337221,0.10059223176554563,0.07112944921610614,0.050296115882772816,7.819990956308912,4.8080604124904465,3.3627553123610365,2.2474002407106255,1.1237001203553127,0.6695759751233813,0.3783550014966005,0.24639963991337221,0.7819990956308912,0.5342289347211607,0.3736394791512263,0.2809250300888282,0.18728335339255212,0.13391519502467625,0.09458875037415013,0.0821332133044574,6.852030486860464,3.8771567527075472,2.386792784939899,1.4621251317525819,0.7981763352100091,0.4393958992096243,0.21158816760500454,0.10825317547305485,0.6852030486860464,0.43079519474528305,0.26519919832665545,0.18276564146907273,0.13302938920166818,0.08787917984192486,0.052897041901251135,0.036084391824351615,13.764220639120705,25.76402039329934,24.501960784313734,24.879999999999995,15.348914970059875,200.53508263473057,0.5293931015046425,0.9909238612807438,0.9423831070889898,0.9569230769230768,0.5903428834638413,7.712887793643484,2.1298000000000004,40.775000000000006,31.79542990212458,50.016816217370454,63.59085980424916,6.359085980424916,31.79542990212464,0.09048806168974594,0.009048806168974594,-2.402537352008241,59.51188318325545,5.951188318325545,4.086176009976364,109,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.04420705782313,-0.08694160997732392,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9521488803854876,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.583627173091459,0.0,5.125774045729402,0.0,0.0,0.0,0.0,0.0,0.0,-0.08694160997732392,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.552731009070294,4.491476048752834,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.491476048752834,-0.08694160997732392,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24025829081632655,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.432692507558579,0.0,0.579861111111111,0.0,0.0,0.0,0.0,0.0,0.0,-0.08694160997732392,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.552731009070294,4.491476048752834,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.552731009070294,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5125,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.15093466553288,0.0,1.2192403628117914,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.552731009070294,4.491476048752834,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.666666666666664,2.3666666666666663,0.5559027777777779,10.552731009070294,0.24025829081632655,-0.08694160997732392,4.031008795823885,1.7536082766439907,3.552731009070295,9.390283446712019,1.7536082766439907,3.552731009070295,9.390283446712019,4.66666,0.46667,0.0,0.03333,0.51282,0.85333,0.425,0.51282,0.85333,0.08782,0.0,-0.08782,0.0,0.54687,0.16742,0.0,0.28571,0.10714,0.0,6.75,0.675,5.25,0.525,1.5,0.15,-3.75,-0.375,0.0,0.0,8.28781,0.82878,11.41149,3.12368,0.31237,3.68293,0.36829,4.80805,1.12513,0.11251,0.10595,0.01059,0.10595,0.01059,0.0,9.02,2,2,2,2,0,0,0.875,1.2389012566026307,1.9312089489103235,3.2577560641285173,3.7192945256669794,3.580462199727102,3.5804621997271022,32.2114326716684,50.21143267166841,84.70165766734145,96.70165766734146,93.09201719290465,93.09201719290466,0.2635713530845122,0.4108570824676098,0.693074746082879,0.7912652323382775,0.7617292028889343,0.7617292028889344,3.4615384615384617,2.769230769230769,1.4426836540125754,0.9811451924741132,1.1199775184139908,1.1199775184139904,0.2635713530845122,0.4108570824676098,0.693074746082879,0.7912652323382775,0.7617292028889343,0.7617292028889344,11.26589917459177,19.880892606899465,23.754475757589898,24.219625772359137,22.915006869759324,22.915006869759324,36.565211176569775,24.09893728889647,19.72853497407216,18.343243100008944,20.42942760782873,20.42942760782873,10.0,7.111111111111111,7.0,10,3,7,2.1199999999999997,1.310200000000001,0.12499999999999997,2.8310127240586844,0.5773502691896258,0.0,5.6762400186093895,1.9192597481868876,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,4.356000000000001,9.0,8.0,6.0,5.0,4.0,3.0,1.0,0.0,0.0,55.0,2.3978952727983707,2.4849066497880004,2.3978952727983707,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,0.6931471805599453,0.0,0.0,4.174387269895637,1.1636363636363636,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.6666666666666666,8.0,0.8888888888888888,0,4.0,8.0,1.0,1.5,0.666666666666667,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.03125,0.0,0.0,0.0,0.16666666666666666,0.07407407407407411,0.03125,0.026666666666666672,0.022222222222222227,0.02040816326530612,0.010416666666666666,0.0,0.0,0.0,0.3517044595616025,31.79542990212458,50.016816217370454,63.59085980424916,6.359085980424916,31.79542990212464,0.09048806168974594,0.009048806168974594,-2.402537352008241,59.51188318325545,5.951188318325545,4.086176009976364,26.3,161.86833040805567,4.321928094887363,3.6109179126442243,4.2626798770413155,4.948759890378168,5.6240175061873385,6.318968113746434,7.002155954403621,7.700295203420117,8.386856689688234,9.086249986745132,75.94090113425459,2.9444389791664403,0.0,4.007333185232471,0.0,5.231108616854587,0.0,6.520621127558696,0.0,7.8434564043761155,8.15908865466791,144.115029752,5.542885759692307,18.65620910631037,1.865620910631037,5.128148686784741,5.128148686784741,0.0,153.0,8.0,2.77,36.0,1.2351999999999999,2.121567974098269,2.8650690095202114,3.6194146515924945,4.887566771738985,5.900803806295641,7.187463973911272,8.274087396026083,9.498872536959624,10.336103848895249,91.62129166719997,94.0201153542559,96.6132028518533,116.56807321072124,137.49808534374645,170.15974923336515,205.95980991400896,154.21498318351573,65.1381279691273,10.502143021123901,284.10295800329686,325.08322903762075,365.2582984914785,467.5363501606636,553.7664691127244,657.7562900086804,747.7929811836103,812.5538010112809,713.7628149359124,321.2848104506145,9.406569306879998,15.985227675270549,21.041787607584187,27.035617810970916,35.88283293535997,43.813334589498794,54.277405343131555,64.6366529763495,65.81480851009088,69.44274160906417,2.0225453996991996,2.5260392798694724,2.9478053076542645,3.783672137075141,4.610894420636825,5.410715606917325,6.052734357699442,6.81378672728598,7.569880939243741,4.595565157078245,179.56309980875614,336.2737819173785,470.8584651411672,590.2719400444129,814.4997588610245,987.3150579717336,1221.2487802729638,1422.2673818868523,1597.4432519203501,1911.3280548165121,3.3524733333333336,5.449156937472598,6.261336615345216,8.461574081499288,10.214697935538393,13.34819754101324,19.183915944494718,23.029917123684275,14.501716777828099,10.336103848895249,0.45204840000000013,0.5800522644330657,0.6780009566306157,0.8792575211529329,1.0759995147112662,1.2945030051874165,1.518864088859127,1.7128698640062188,1.6610759153281671,1.0584170341268735,415.80795003513754,356.04387210347676,14.683409425482294,182.0100684312862,-155.8497607383835,-22.403100333356605,233.79788160385135,511.89363284186027,37.0865097588389,0.6955426855513743,0.5955723332274799,0.024561670896353187,0.30445731444862545,-0.26069766371074465,-0.0374747826952875,248.5774847525917,212.8494421080133,8.778006727073036,108.80889845052971,-93.1697951430867,-13.392977048791725,0.30502895180207745,0.37248923454458394,1.9569208348092382,6.672476341780855,540.596199025929,57.22181944049484,0.9042822101828155,0.09571778981718444,710.1477289215646,26.6485971285838,8.921740097531272,865.1403062301669,29.413267520460334,9.528594570049483,1185.4511648694952,34.43038142207395,10.583465276381668,3.035002707471406,3.035002707471406,1473.2884337288965,1413.8809888468081,82.79530730778379,1.0420172881244711,17.794347066701317,17.076825182746628,4.926626667860631,5.6454556919422,11.00002119871081,0.9484735686458794,4.475634912546368,6.190062996071224,5.3849573443081,22.508437870074133,10.581060892473944,1.5518628973167787,4.599727628564044,8.464009126266516,12.360330778133457,1.3425554998087736,3.697237162764298,6.5876181987387215,6.632033479327567,1.4883520117202766,3.8599912601980497,3.7386364754720063,2.648981562324164,1.0824215122604792,2.3901516830906413,0.0748244064523398,2.1920427269009695,2.78348308346389E-11,7.471762906701128E-44,3.868418867857263E-98,3.8629564148853613E-174,7.440155769647066E-272,0.0,0.0,0.0,0.0,0.39211654491545844,6.340943916997375,0.5065689342816332,5.901817979618671,0.3019166848897784,1.0723825197172723,0.6529242640937105,0.33919772392340775,4.521681265163078,0.051792166255994095,1.9371067506660158,1.2926165622613561,0.3211898228723091,1.4479503997899803,0.19161194286792307,2.1532635306121417,0.113165622624146,0.14517858283303967,0.016886980680013985,0.0062785755115860094,0.0154387361585623,1.9604298949124396E-13,5.262423708272119E-46,2.724559038869077E-100,2.720711788577064E-176,5.240162543208285E-274,0.0,0.0,0.0,0.0,1.2183825688571548,6.059867195279159,1.11001809384736,6.768158357969961,1.2536125526430508,0.9525177948909639,1.3370533891405114,1.2329072784209745,4.972684244938983,0.20730647509459926,1.798882157540938,1.6829145523469693,0.978409635306198,1.0751434096066654,0.6122038466826399,1.8475314621691092,0.4142779492668319,0.3335966923100024,0.1755344984243226,0.0202686122906141,0.16088353410036493,2.04291910043815E-12,5.4838512390201223E-45,2.839200583107639E-99,2.8351914516788047E-175,5.4606533886787595E-273,0.0,0.0,0.0,0.0,4.229749368703219,6.340617585324835,6.0716274357809805,21.647694426086098,9.794999695863474,1.7777428495697056,4.633608159736759,7.8504716636611755,12.957187648410198,1.225343927251372,3.7361750656978394,6.385067223583283,6.365961884299746,1.7717544359406425,3.7364751692855163,3.9399804140817687,2.470439375651099,1.0240273011548222,2.12960968073414,0.0706275036330552,1.953070605134449,2.4800333148104378E-11,6.657206231669941E-44,3.4466915660174694E-98,3.441824618763008E-174,6.629044841595204E-272,0.0,0.0,0.0,0.0,1.7880899915085862,5.953072815486234,1.3558120312770352,7.94833393241873,2.184257710465873,0.8934795275425594,1.7696853464534672,2.034404017627332,5.402370474496181,0.3461171394116032,1.8678680002170007,2.1737798349209143,1.529970571881012,0.9247338356425813,0.9433165040681417,1.8231729381214568,0.6717548351746742,0.46379717350095745,0.3811737730884089,0.029872817538006437,0.34946053439010477,4.43749327454169E-12,1.191165767969951E-44,6.167123059309038E-99,6.158414690118898E-175,1.186126884890756E-272,0.0,0.0,0.0,0.0,5.405000361478286,6.2855740824821655,7.451408793435252,30.376079222719476,14.937311823432632,1.900163061048113,5.745137667201873,11.653883716113697,15.694761366842634,1.8199013048604544,4.530840990602185,8.499103145933551,9.230100197579684,1.7526699247896997,5.309133500554765,4.642018696424033,3.6080357191181456,1.2998173625927252,3.4856819342083565,0.09036430273952996,3.1968883055617976,4.059448481113851E-11,1.0896863991393532E-43,5.6417253586801076E-98,5.633758884390511E-174,1.0850767952488637E-271,0.0,0.0,0.0,0.0,2.836919433519323,6.263431003463491,6.4299074806916305,16.430713959372557,5.986190294777307,2.712082835746034,3.59092530608263,4.631705366555517,15.35487607746949,0.5972815132800227,3.291100691694707,6.089757927695675,4.993772631559574,4.3649986284884905,3.126970663942881,4.423438457052331,1.3083755731817304,0.8364896234415818,0.882573728268893,0.05524168254612495,0.8092399363531219,1.0275829232976772E-11,2.7583627202434543E-44,1.4281104104379322E-98,1.4260938278955091E-174,2.7466942626609262E-272,0.0,0.0,0.0,0.0,11.323031915827121,0.7739510056896123,0.44627447307692314,0.9027186128467337,0.06170255312014864,0.5275338041597619,0.5511564101516269,0.5384444906629211,12.543257394593656,14.162046617830397,30.61621783419625,0.8540779192701007,1.6171347049743099,10.172177775319309,0.4960625220109689,0.08110142836617798,0.9463070423189329,0.046148176759989334,0.4260448686532738,0.22692698482262333,0.017782542367913705,10.749341725696457,5.911245687835928,17.069828153823,0.9194605634783996,0.6707543958438108,10.479906843260398,0.5489728794041602,0.22837841761227323,0.9309466579401618,0.04876612693458766,0.4519367490489488,0.2779824182716079,0.14100904291067085,11.257258140276832,8.271942734730242,20.843104078323957,0.8964199869102427,0.8709282102312276,11.302975380459966,0.7762325987213909,0.4251050105953527,0.903926140500567,0.06207718883524622,0.525683857713245,0.555184799058585,0.48857280964455996,12.50431298977671,13.908669788831702,30.142742744019102,0.8558892107508504,1.5694414664163898,10.680191849294717,0.5921926982109444,0.30183686014068845,0.9227568294346776,0.05116479781695903,0.46933686317507967,0.32276321023833043,0.24630963168181494,11.57422140764635,9.727152786761897,23.210411330430766,0.8841352441520164,1.038409705095225,11.438769816879645,0.8072197593151689,0.4711484281890189,0.899476738629123,0.06347495474507749,0.5383737278873524,0.5995947514503626,0.6001396754266002,12.717138004383834,15.003279758886503,32.07081436963438,0.8492151079436845,1.7381081547643151,11.307471019379523,0.783558821952079,0.42829412334479794,0.9032014069836237,0.06258794996941613,0.526134116587053,0.5663615330153066,0.4959307949713632,12.519323964676401,14.038585697431204,30.3526250064149,0.8548021104754355,1.5884264445737226 +UMLCN0170,L,butyl linolenate,CCCCOC(=O)CCCCCCCC=CCC=CCC=CCC,Esters,Olefins,C22H38O2,NREL (2014),Other Ignition Delay Method,UML,"butyl 9,12,15-Octadecatrienoate",29,0,-0.46230000000000093,0.21372129000000087,95.7817,65.66213399999995,0,0,62,24,38,0,22,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3724.357095999998,3921.8437310000054,4448.319451000012,4272.759318000028,4114.267277000013,3889.8019280000044,3704.183599000004,3369.7432650000032,3145.8572240000017,10931.335680789343,13738.517963293774,17728.108735062957,18273.91515994101,17359.3782260218,16679.71588908941,15969.47598967956,15148.339111247493,14289.99019066486,447.8964159999996,451.3819880000005,817.3153000000007,1070.3743920000022,993.238676000002,964.205432000002,901.7767240000019,873.1189320000019,849.4043360000023,79.53749838426181,102.11070377999992,142.88851824413106,154.03807652209136,144.53195051560112,139.27320126160095,133.7704770893558,128.17423495565765,122.66346259190263,10187.249182506463,8814.5739201352,17350.711223087703,24410.5168110873,22345.546845008426,21764.89760243798,20311.084703851204,19693.173444280965,19476.046875085067,163.27777777777777,142.25,239.33333333333334,276.1666666666667,269.91666666666663,261.25,248.83333333333331,233.33333333333331,210.66666666666666,60.07027574193545,64.29252018032795,39.71713795535725,28.676237033557232,30.03114800729936,29.246631037594017,29.633468792000034,27.84911789256201,26.435774991596652,176.31186581918297,225.22160595563565,158.28668513449068,122.64372590564437,126.71078997096204,125.4113976623264,127.75580791743648,125.19288521692143,120.08395118205765,7.224135741935477,7.399704721311483,7.297458035714292,7.183720751677868,7.249917343065708,7.249664902255654,7.214213792000015,7.215858942148776,7.1378515630252295,1.282862877165513,1.6739459636065561,1.275790341465456,1.0338125941079956,1.0549777409897891,1.0471669267789545,1.0701638167148464,1.0592911979806419,1.030785399931955,164.31047068558811,144.5012118054951,154.9170644918545,163.82897188649193,163.10618135042648,163.64584663487204,162.48867763080963,162.7534995395121,163.66425945449637,2.6335125448028673,2.331967213114754,2.136904761904762,1.853467561521253,1.9701946472019463,1.9642857142857142,1.9906666666666666,1.9283746556473829,1.7703081232492996,0.36583644714945873,-0.16470585552459927,0.0017117531041595988,-0.005736534346217973,-0.008937508961691633,-0.015605618267213805,0.02486223873514424,-0.015696526999627116,-0.018097345727049442,1919.2008389677394,-17.378797532774087,-546.7378663610771,125.4107357065572,-116.85463891258865,-117.4155371404766,-146.89337388657464,-316.80002537252705,-37.63841530905252,3162.3266304337303,-143.17350819011656,-1240.6152167729556,192.13744138611688,-92.9636393409072,65.21790197656347,-174.18688663817562,-325.43806673870915,-38.19862483981547,2.2874054193548448,0.054870280957321535,0.801079629552541,-0.08190037877211148,-0.3208367492195687,-0.4475443995837713,-0.2375538938605648,-0.4016686409989592,-0.08949104682621639,14.1275920811337,-0.9712904263084994,-5.654116810416149,0.6453281372746661,-0.209191013925616,0.943262912982007,-0.5942557451643231,-0.8097199012407958,-0.12220168446845314,77.66070269857238,-5.835526979452684,-30.460125375104724,3.0740804764495593,-0.9158675479610956,6.072772789042622,-3.0028522659149797,-3.4195180239131115,-0.6178134543168223,44.91039426523288,0.3265117354607491,8.70487917678342,-2.420857902647717,-6.709706324430607,-8.504913862874355,-4.4152214128801095,-10.280321424442157,-2.9131402474274566,0.0059005878572493346,-0.0027000959922065452,1.5283509858567847E-5,-3.8500230511530024E-5,-6.523729169117981E-5,-1.1733547569333688E-4,1.9889790988115392E-4,-1.2972336363328195E-4,-1.5207853552142388E-4,30.95485224141515,-0.28489832020941125,-4.881588092509617,0.8416827899768939,-0.8529535687050267,-0.8828235875223804,-1.1751469910925971,-2.618182027872124,-0.31628920427775226,51.0052682328021,-2.347106691641255,-11.07692157832996,1.289513029437026,-0.6785667105175709,0.4903601652373193,-1.3934950931054049,-2.689570799493464,-0.32099684739340734,0.03689363579604588,8.995128025790415E-4,0.007152496692433402,-5.496669716249093E-4,-0.002341874081894662,-0.003364995485592265,-0.0019004311508845184,-0.003319575545445944,-7.520256035816504E-4,0.22786438840538226,-0.015922793873909828,-0.05048318580728705,0.004331061323991047,-0.0015269417074862482,0.0070922023532481735,-0.0047540459613145845,-0.006691900010254511,-0.0010269049114996062,1.252591979009232,-0.09566437671233909,-0.2719654051348636,0.020631412593621203,-0.006685164583657632,0.045659945782275356,-0.024022818127319837,-0.028260479536471997,-0.005191709700141364,0.7243611978263368,0.005352651400995887,0.07772213550699482,-0.016247368474145752,-0.04897595857248618,-0.0639467207734914,-0.03532177130304088,-0.08496133408629881,-0.024480170146449216,-0.45759779491958,0.002590167323716883,-0.0065248126869646515,-0.011056066491922612,-0.019885387444774853,0.03370815157625223,-0.021984820287678054,-0.02577345498458827,-0.00920367243195042,-0.1577002550178042,0.027190657652398312,-0.02755476143296986,-0.028519715766603858,-0.03796325635566573,-0.08458066630242878,-0.010217758489397093,-0.04601694634617768,-0.21717210715904556,0.025281957611737932,-0.01330385534726345,0.009613912096279553,-0.02732061101502514,-0.05273123527588409,-0.006293405730723525,0.024381245794036048,0.19386803545125197,-0.014898693494551722,-0.06347637014798241,-0.0912080203803853,-0.0515110834126085,-0.0899769153627771,-0.020383613253488277,-0.06987837803589726,-0.22154925638259415,0.01900718824165657,-0.006701098483058009,0.031124663238868144,-0.02086348812372075,-0.029367906310789043,-0.00450664940970368,-0.07637313531897845,-0.21712210336041052,0.016470976135373405,-0.005337064818940822,0.03645236960433931,-0.019178486314690654,-0.02256160027371827,-0.004144773227949195,0.007389478366674146,0.10729748603351949,-0.022429926565504694,-0.06761262022241563,-0.08828015769671639,-0.048762649640862125,-0.11729139321826017,-0.0337955293849385,1.5253293441348563,1.0571854547855442,1.0752150678121641,1.2189842320557802,1.253642941619022,1.0753564581538186,1.0035795763438773,0.8658020373655838,1.2109782049960163,1.2386790180026919,0.9511849683802406,1.0445068674955946,1.043008796452833,1.0394392178574565,1.085327155072832,0.9650283932832007,1.3689584831388952,1.3415658999841296,0.9448262355723592,0.9917872117230045,0.9598661366838322,1.019352069720313,1.0390105936801568,0.9814442109936079,0.7376479856709857,0.7550035978823858,1.0322853661882045,1.3353206126008514,1.396385355016041,1.1273588259344616,1.1954451302265157,0.8284416483112392,1.4335208219365438,1.363452320877621,0.9493590543790095,0.9855119467798215,0.9378720189141317,1.0143307507444472,1.0167891016841473,0.9781074433553134,1.4448725645685352,1.3620429141375041,0.9520158205482396,0.9883907403232597,0.9371301462695562,1.0142791928947914,1.0120231813205616,0.9749010436970846,0.6271747805267371,0.5999656182305336,0.9142427971526074,1.3214946172980493,1.3769830602043842,1.3419610534716708,1.4391758127601222,0.8417788903270823,346.35196055075767,173.42598027537872,276.86081664408056,346.8102938840909,14.450428911837118,173.42598027537872,0.49999999999980105,0.01612837553777835,6.720156474074312E-4,-9.905220246076272,213.5346980123154,8.897279083846476,12.873118414626596,346.3782866082581,173.43840888322768,276.8774522484775,346.8352735032723,14.45146972930301,173.43840888322768,0.4985311581972667,0.015991634129102927,6.663180887126219E-4,-9.925654944998412,213.54705910745676,8.897794129477365,12.873257341789149,369.8630740377065,184.53254254079496,292.0578033709649,369.13158416126623,15.380482673386094,184.53254254079496,-0.7979889561165407,0.10470574080638928,0.00436273920026622,-5.415843195845347,304.6329967111939,12.69304152963308,13.72585863024448,346.4059166951997,173.45145314781865,276.89491278092584,346.86149049560083,14.452562103983372,173.45145314781865,0.4969896004376153,0.015848122313909918,6.603384297462466E-4,-9.947290204022094,213.56011411142768,8.898338087976153,12.873404059107445,395.07082481461504,196.4531181429683,309.12343279822426,393.08661866332653,16.378609110971937,196.4531181429683,-2.1645885286784505,0.23005741773095711,0.00958572573878988,-3.526623261374133,234.0385605231414,9.751606688464225,13.093166136820782,349.1109936151675,174.7286309934619,278.60884659946424,349.4284062892775,14.559516928719894,174.7286309934619,0.34626837175630953,0.0018125420783109414,7.552258659628923E-5,-15.151259894124227,215.25733915151991,8.969055797979996,12.89240217280466,370.1646811958989,185.20715298263147,300.21484394502994,370.8841376653553,15.45350573605647,185.20715298263147,0.8633477633476332,0.0841039646591844,0.00350433186079935,-5.9416837701898535,327.87947026793296,13.661644594497206,13.902350573173566,0,11.890000000000006,15.995925717758169,-0.31570019594720206,0.2615318315581982,4.311935900565267,7.980472649014597,23.0,61.0,57.0,57.0,19.0,4.0,4.0,0.0,0.0,4.0,44.41586599999999,3.6129727424604883,3.575013124596891,3.484046900109698,3.3724770634821795,3.275509391913219,3.1449134837964574,2.9290759368727017,2.7525255234463692,1.9359068676967301,1.883097697107947,1.823643496583183,1.7897984874769002,1.684571277278336,1.5456668987480913,1.4227301472831193,1.3630317688323599,3.6303459188049367,3.5487822224600523,3.470778029164548,3.3860185266223275,3.2862561039600426,3.136957698111138,2.923016495965167,2.776663696282376,1.8866406909889826,1.8375868596832732,1.781833950265245,1.7308960206095108,1.6304500512445759,1.4986603652399413,1.3749048236931773,1.281463963046591,3.7238736324732393,3.677896401943945,3.6054179789815506,3.524556943387853,3.4268693522373797,3.2923998603450206,3.1188742547999078,2.9803102597556226,1.7398870784961058,1.6753816395587031,1.592137911138308,1.5427278996805829,1.4340264293113132,1.2830609631742373,1.108482341299864,1.00242815330809,3.6450394111707523,3.562177331970746,3.4773957344482955,3.402702107089648,3.3022426545879187,3.146220718668192,2.934130607351673,2.8011621700934843,1.8577574867219908,1.814641232276589,1.7578849498719584,1.6929677651239945,1.5983484396457301,1.4719566920607288,1.3394249510347063,1.2292236371616303,3.7691169057974285,3.7177111768749938,3.648346614223432,3.584775174059901,3.4826746160697457,3.345343024360191,3.187392813817833,3.0678873618065285,1.6978193640014732,1.6290724835625192,1.5491213911920207,1.4847822669388695,1.3799498626740934,1.231014950051493,1.044144875991015,0.9191722987733204,4.8677171549665585,3.7400701783385872,3.601064596509813,3.4703427825927573,3.440201928276164,3.3181264685740732,3.113434446539398,3.045339748717832,1.8435557585053124,1.7222472550939638,1.6827210876781937,1.637093483065693,1.5145847761725504,1.3445754744151648,1.1957443963210599,1.1241917045122791,0,0,1,6,0,3,12,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.08333333333333333,0.08838834764831845,0.08333333333333333,17.71948589292058,11.808060412490446,8.339376234204547,5.6009536313039,3.751256470510539,2.495099760268685,1.7181891072560391,1.0503810964856393,0.7383119122050242,0.5133939309778455,0.3625815754001977,0.2545888014229046,0.17863126050050188,0.12475498801343425,0.09043100564505469,0.06178712332268466,15.972986351490604,9.914180120808224,6.174332032239929,3.7926656349959904,2.2909197521805167,1.4059480390557006,0.8874932775697008,0.5349599222344177,0.6655410979787751,0.43105130960035754,0.2684492187930404,0.17239389249981774,0.1090914167705008,0.07029740195278503,0.04671017250366846,0.03146823071967163,33.724326480765285,60.530225782957125,57.48235294117639,58.240000000000066,38.13301437125754,474.07397245508986,0.5439407496897627,0.9762939642412439,0.9271347248576837,0.9393548387096785,0.6150486188912506,7.646354394436933,6.697770000000008,104.32100000000007,192.067950825985,304.4507914202721,384.13590165197,16.005662568832086,192.067950825985,0.07599339997826193,0.003166391665760914,-6.185061083659477,276.221032116598,11.509209671524916,13.490883326921434,761,0.0,0.0,2.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,13.0,5.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,13.0,0.0,6.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.555511608236365,13.397335897835934,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8756169718269509,0.0,0.0,4.604483195993467,2.0175714518643844,0.0,1.8756169718269509,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.261419793601355,0.0,13.45239936699301,0.0,13.420833310483737,0.0,0.0,0.0,0.0,-0.02349741264780314,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.411228555795905,5.14428305244046,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.14428305244046,-0.02349741264780314,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.28877881802764216,0.0,0.0,0.2680399747105162,0.3220243883228673,0.0,0.28877881802764216,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.103147677538434,0.0,0.5867027787973792,0.0,2.2039425453699946,0.0,0.0,0.0,0.0,-0.02349741264780314,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.411228555795905,5.14428305244046,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.411228555795905,2.289006569874001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3226406369264045,0.0,0.0,0.5637282827479468,0.5256815178818697,0.0,0.3226406369264045,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.158272116062921,0.0,1.2568195215563471,0.0,2.289006569874001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.411228555795905,5.14428305244046,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,47.666666666666664,1.986111111111111,0.5637282827479468,11.411228555795905,0.04216595300414694,-0.02349741264780314,12.086136307845202,1.6901640793144699,4.411228555795905,15.475529424642914,1.6901640793144699,4.411228555795905,15.475529424642914,11.66666,0.48611,0.0,0.01389,0.47957,0.76389,0.42973,0.46373,0.76389,0.04984,0.01584,-0.034,0.0,0.63636,0.07793,0.0,0.11429,0.04286,0.0,16.75,0.69792,12.25,0.51042,4.5,0.1875,-7.75,-0.32292,0.0,0.0,26.89138,1.12047,35.87415,8.98277,0.37428,9.12181,0.38008,11.80805,2.68625,0.11193,0.10595,0.00441,0.10595,0.00441,0.0,23.02,2,2,2,2,0,0,0.6818181818181818,1.123087582630798,2.4150685367542866,3.88020951322638,4.80871969734407,5.1233934877364415,5.15565155225257,69.63143012310948,149.73424927876576,240.57298982003556,298.14062123533233,317.65039623965936,319.6503962396593,0.18862118816465845,0.40560781184545236,0.6516764498438685,0.8076186015156127,0.8604676803817957,0.8658853829287969,4.831108727756078,3.5391277736325892,2.073986797160496,1.1454766130428062,0.8308028226504343,0.7985447581343061,0.18648604959019158,0.4010164459782184,0.6442996564959302,0.7984765870561997,0.8507274292767004,0.8560838049610854,9.357258012613576,20.750557876451204,26.688082440619784,29.530626072204026,30.556934773656423,29.880272679979004,89.01908208966557,54.706013796001265,36.39966834448705,25.79806487334159,22.76121429307583,23.783129588969647,24.0,21.043478260869566,21.0,24,3,18,3.6599999999999997,3.1538000000000013,0.045454545454545456,4.386859157067171,0.21693045781865616,0.0,31.312221175313205,3.1990841363812454,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.49000000000000005,0.47800000000000004,0.8580000000000001,0.48800000000000004,11.162,23.0,22.0,21.0,20.0,19.0,17.0,16.0,15.0,14.0,214.0,3.332204510175204,3.4657359027997265,3.5263605246161616,3.6109179126442243,3.6888794541139363,3.7612001156935624,3.784189633918261,3.8501476017100584,3.912023005428146,3.9318256327243257,6.042632833682381,1.9626168224299065,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.0,0.7391304347826086,19.0,0.8260869565217391,2,11.0,22.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.1666666666666667,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.06521739130434782,0.028985507246376826,0.017045454545454544,0.011428571428571434,0.008333333333333335,0.004296455424274973,0.003676470588235294,0.003086419753086419,0.002666666666666667,0.0023612750885478157,0.16582082533251785,192.067950825985,304.4507914202721,384.13590165197,16.005662568832086,192.067950825985,0.07599339997826193,0.003166391665760914,-6.185061083659477,276.221032116598,11.509209671524916,13.490883326921434,26.3,396.1027390677913,5.584962500721157,4.532599493153256,5.209486152841421,5.905361848054571,6.594413459749778,7.29641326877392,7.990576881743923,8.696008608880904,9.393078508655353,10.10082086695052,112.71875908880364,3.8501476017100584,0.0,4.9344739331306915,0.0,6.1463292576688975,0.0,7.418780882750794,0.0,8.726967774991493,9.048644632975885,334.28718045600107,5.391728717032275,46.64907819616181,1.943711591506742,5.452198496865542,5.452198496865542,0.0,2215.0,22.0,9.209000000000005,92.0,1.236396317116782,2.1530141446376216,2.9191327990906264,3.7308904633191675,5.044227666779157,6.071891555454339,7.382481363711367,8.47036975277414,9.771212960764833,10.938391547735343,91.38097063980177,95.35419671126,99.87716863235407,140.1301982402814,171.37908236605568,209.76743647320973,232.0965295833595,253.22477332972633,284.870572188915,321.26252280799457,305.0087406466821,365.37091554144774,396.54187420253703,552.7360991813304,696.6473920787882,861.790240872235,997.3954387033151,1102.655772722988,1241.0586242569912,1403.2278355717278,9.199431501856976,15.786551062860413,21.046951042195314,27.263550409947456,36.72230042215471,43.99778346922882,53.42770854506713,60.695802844925616,69.99707677003707,78.02017518806863,2.2094750906077687,2.8877543146715867,3.2313432790296757,4.430890190090294,5.662227056476223,7.034026936613105,8.26414772362045,9.262239003407002,10.458681397398172,11.860038128342385,176.48358470294943,329.97461454556066,473.895074868247,593.2652159417752,815.6472338319817,970.4705081219466,1189.2758512285036,1370.2564159537476,1589.1081027898836,1770.6064568679287,2.9875415189107137,4.772961911011825,5.581801934177407,7.727315594028357,10.196667343296252,12.464983426371816,14.52726734868208,15.434058085020606,18.20880679941504,19.71700021735252,0.47001905496453483,0.6293060800004998,0.7127169327361561,0.9808840102723017,1.254363599882933,1.5460865472158356,1.8171652575610129,2.0258290309898634,2.294870716484349,2.588944918615616,764.0514340153873,1271.1243392824433,26.375716480962613,188.8437360386987,-314.1723953560236,-21.68253508212751,575.2076979766886,1585.296734638467,48.058251563090124,0.8018210796178346,1.3339603129799626,0.02767955732157351,0.19817892038216545,-0.3297029990593733,-0.022754376098786208,728.0609211461607,1211.2482434404315,25.133292841425227,179.94828396624473,-299.3733580990777,-20.66118295428758,0.157152888864147,0.1897074930643673,0.8302973998573145,2.204282839684572,906.5452737778054,46.349896276280454,0.9513588716441392,0.048641128355860645,1630.3623799116938,40.377746097469256,11.769591290861756,2010.6392773646494,44.84015251272736,12.621512082629721,2889.0054550384057,53.749469346575,14.2423871597644,5.719780489388374,5.719780489388374,22838.12365946428,22724.66031863138,160.9243735330565,1.0049929609174344,141.91836300529675,141.21329056448596,9.064766994702218,14.5312291844152,29.04861262160381,0.9990471730195103,15.411797914459573,17.48862354446639,9.635541637343346,60.760142881899746,31.876604654919547,1.7571045738595714,20.96402509115331,14.561794006204398,57.70502456101783,0.6212278064332216,1.6693808730981161,37.88864234453861,4.765210270110176,65.40641197429365,0.01930380473831406,1.50072421215837,32.437836804097394,2.597404546458987,61.578001147003505,2.2909322415103143E-4,2.089284175310661,23.731957568894558,3.0875048751307976,55.22597457072868,2.183993322676821E-4,3.8822727766098377,11.67734788888128,4.504004271587205,38.90313069105356,2.5948715090899166E-4,1.3008115494671812,17.764251515211836,0.8302162583246341,20.45383078176706,0.29652116046543897,0.2316514196773543,3.6828054048707246,0.2509411148833421,18.304560775020516,0.004394374046076902,0.5129234969267868,4.896452755376171,0.16960207110063888,14.565444069333806,2.0934537343416477E-4,0.6570588700925108,2.2828721179210247,0.1366227954757898,12.259349675454004,1.3786307868725344E-5,0.9059129254387198,0.6325838146333106,0.1600776150626741,8.85734443733349,1.826031395052581E-5,1.650374133341539,0.19857729899724522,0.17635612694289776,6.096692906368874,2.1440499395403653E-5,4.177915141680228,17.22891781018071,2.505134260718939,22.514078988188146,2.4469856879192085,0.53261126989138,6.865830098910059,1.2637758853312546,22.051978901688198,0.045642873053021206,0.661504537802926,9.56362164161103,0.6490414906506279,21.43520907145118,0.0016053297008545109,0.7163154360243854,5.259062205559607,0.49460122951287494,18.68106392496948,4.8088196571808545E-5,0.9775931811978656,2.807224168473925,0.5819585668108396,14.852890844947172,5.899157229676645E-5,1.876743919555288,1.1290014687187964,0.7017824294781332,10.258263158709568,6.943424735405103E-5,14.549768813846537,17.774465572252897,9.424479012293864,57.37542961726519,28.582419709679137,1.6652033400213906,20.798609087679424,13.39507559079959,56.672964176616226,0.5535160844785881,1.660153827044002,36.08804269981982,4.438061908875038,63.061603422718726,0.017249872576737373,1.4222068050289713,29.926187424054966,2.395743949782059,58.762170767176116,2.124995818377345E-4,2.002400361819633,21.500526622004546,2.8461443629865837,52.35212900442633,2.0610407221030192E-4,3.7112848378471908,10.5114712943446,4.112481577048345,36.66329017356078,2.4470303107762656E-4,6.154075217928204,17.02626474328246,3.5972367485972168,25.69632724758974,5.158988334899381,0.7425703063576453,8.914011389144266,2.4294298444351483,25.539150680826506,0.0990960077966963,0.7690882764923826,13.40104070127615,1.0848145527004018,26.894066383043537,0.0033064065528004877,0.7911828611262117,8.255518545476987,0.7831829796676466,24.03506571196619,7.449971347462388E-5,1.0736245683638375,5.036902820316789,0.9237264196495266,19.835017613766826,8.698833287580412E-5,2.10199750233699,2.1783283267719202,1.1687407252288924,13.80795929483292,1.0255760802470929E-4,18.61198267068211,17.67642972107637,11.936262188885628,79.47913723784386,46.42499666599715,2.1139868927023557,25.63970702691019,21.164389503829298,72.82223484871146,0.9059413328502786,2.0893812649118426,47.81922467434703,6.621804261795147,82.37649813375369,0.027913426123659366,1.8683871613634486,44.190006512208235,3.4021996899906184,78.14600850902181,2.9440699450851773E-4,2.6193753795807853,33.32050357675587,4.051717964001393,71.27402423653693,2.639720932127099E-4,4.722842248047667,16.704059083739892,6.097568364436103,50.29331715626384,3.144657519076996E-4,9.035725089655738,17.04216362551503,6.7179697311492035,39.77132894270087,12.211058946762464,1.0837390987317075,15.414439023773369,7.538664618275846,46.838438220054925,0.21772161633197296,1.1485315801720584,26.922103141243323,2.7241687208121066,46.06708064727317,0.006931719246048549,0.9590328889221456,17.141285379050196,1.179916522748278,41.62954510376892,1.1096740730560273E-4,1.4059154774804583,9.852464119829598,1.540692834302227,34.90785086103764,1.1464304772893323E-4,2.731965734409413,4.5930156402735935,1.9073749616341775,24.937463751713867,1.356117994114768E-4,73.20662469041764,0.8829002634165954,0.3797784807989397,0.9830443056940384,0.01185589528431104,0.544254841629674,0.6412505763678039,0.4838118573942188,74.46930343463318,92.77175545309187,191.7877175075931,0.9745664585410576,1.6693172753916967,67.95963769823652,0.41385641321314426,0.07094623186834365,0.992916844046796,0.006046603802109219,0.4690650211198961,0.13984116493898727,0.01688396604783704,68.444440343318,32.976373667936684,103.41621451892757,0.989375266070194,0.6257901521067204,70.15262208807235,0.5605372233555572,0.1891516132823766,0.9894264541330111,0.007905768035555009,0.4997953656841219,0.25836471808606537,0.12001510286457612,70.90231092471028,52.698664160410104,131.0390134811864,0.9841396811995167,0.8781751866347633,72.93418887547551,0.8744513582108414,0.36718439250633406,0.9832609107215946,0.011788899720597894,0.5402134537791524,0.6289303371484285,0.4522558861289262,74.17582462619269,90.87878124809029,188.4726719406475,0.974891366082392,1.6213996770565071,71.16267739194319,0.6411450362245926,0.24654458403041996,0.9876795961343997,0.008898567249713609,0.5142875336154873,0.3381554694771086,0.20389507483559738,72.0503670121982,63.32844090664319,146.6275518446267,0.9815193942015995,1.0563380779281932,73.57953041389025,0.928614362195467,0.4044349174646721,0.9822052679921941,0.012395973626782155,0.5498138179940973,0.7093730903458492,0.5486723694552464,74.91257969355038,98.46070408889872,201.00711190904252,0.9733079019882911,1.807859277795193,73.04595472054211,0.8794169360093052,0.3688021835416688,0.9831989635925209,0.011836956931537005,0.5418713568473768,0.636005707039448,0.4562498866751484,74.2941738400931,91.50168817427914,189.4869212454069,0.9747984453887815,1.634126950561973 +UMLCN0171,L,ethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC,Esters,,C20H40O2,NREL (2014),CFR,PubChem,,76.8,0,-3.972299999999999,15.779167289999991,70.40409999999999,63.475719999999946,0,0,62,22,40,0,20,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3437.860981999997,3657.529665000003,4212.283817000014,4001.988295999999,3843.543631,3499.0283369999993,3259.9870159999987,3063.2302869999985,2866.4735579999992,10146.469366152547,13120.957392536151,17464.356374770086,18377.980913454965,17676.34955314142,16802.643547200747,15736.30677695483,14729.5084319997,13722.710087044572,446.2523119999996,450.53622000000036,857.5786520000011,1170.9640880000034,1093.8853960000029,1071.5469000000028,1020.5592800000031,957.6743800000028,894.7894800000026,74.84892419395989,98.7599923999999,143.5433471035271,159.56520520112852,152.90895247663838,147.08839184263817,139.13023645433591,130.10870759493966,121.08717873554365,10303.495774374962,8867.230303381,18449.283309856288,27178.860522732368,25170.827917416646,24769.629414182,23844.627341200456,22365.672186161875,20886.7170311233,150.27777777777777,128.0,227.08333333333331,269.25,265.33333333333326,253.58333333333331,226.33333333333331,214.08333333333334,201.83333333333334,55.4493706774193,59.95950270491809,35.697320483050966,24.40236765853658,25.12120020261438,23.326855579999997,22.638798722222212,22.690594718518508,22.749790142857137,163.65273171213786,215.0976621727238,148.00302012517022,112.06085922838393,115.53169642576091,112.01762364800499,109.27990817329743,109.10746986666445,108.91039751622677,7.197617935483865,7.385839672131153,7.267615694915263,7.140024926829288,7.1495777516340056,7.143646000000018,7.087217222222244,7.0938842962963164,7.10150380952383,1.2072407128058047,1.6190162688524574,1.2164690432502299,0.9729585682995642,0.9994049181479633,0.9805892789509212,0.9661821975995549,0.9637682044069604,0.9610093550439972,166.18541571572518,145.3644312029672,156.34985855810413,165.72475928495345,164.515215146514,165.13086276121334,165.58768986944762,165.6716458234213,165.76759548510555,2.4238351254480284,2.098360655737705,1.9244350282485874,1.641768292682927,1.734204793028322,1.6905555555555554,1.571759259259259,1.5858024691358026,1.6018518518518519,0.32448877481476085,-0.16224935336203788,0.03222462531483488,-0.025907525805929837,0.0037674497179594592,-0.015409107154231457,0.002381299310219031,1.1663460313404966E-4,2.9940327433586756E-6,1862.3770877419327,-20.785182068673137,-563.103316121741,89.584275650366,-105.5598631696129,-218.49360537564993,10.472516212279597,9.271724432883016,8.07093265348649,3034.7686862162686,-155.33385656032033,-1293.0853358769994,234.87490518103192,-156.32648169554602,-212.39836189619223,7.255910490499446,7.09589513391893,6.935879777338641,2.2932077419354866,0.05870954422475288,0.8200721040582606,-0.16063028511966346,-0.1597775567117564,-0.3035467304890719,-0.024558884495306372,-0.03412498647241518,-0.043691088449524,13.495788104953514,-1.0420359085323285,-5.946997236673607,1.1530473358005442,-0.6632594180422067,-0.48288792141413295,-0.02751919223482102,-0.027890793720145135,-0.02826239520546925,74.12774690346961,-6.246693019589881,-32.143702175389265,6.3590259090305725,-3.607783195164359,-1.9224163985918563,-0.26895152271091316,-0.2749301246019433,-0.2809087264929806,42.706093189964015,0.6914961267198529,12.067435541681128,-0.7485547462134224,-0.6994450225459484,-6.458289975719724,-0.6507110648629788,-0.8546652792230225,-1.0586194935830653,0.00523368991636711,-0.002659825464951441,2.730900450409736E-4,-1.5797271832884046E-4,2.46238543657481E-5,-1.0272738102820971E-4,1.6536800765409936E-5,8.639600232151826E-7,2.3762164629830758E-8,30.038340124869883,-0.3407406896503793,-4.772062001031704,0.546245583233939,-0.6899337462066203,-1.4566240358376663,0.07272580702971942,0.06867944024357789,0.06405502105941659,48.94788203574627,-2.546456664923284,-10.958350304042368,1.432164055981902,-1.0217417104284054,-1.4159890793079482,0.05038826729513504,0.052562186177177256,0.05504666489951303,0.03698722164412075,9.6245154466808E-4,0.006949763593714073,-9.794529580467283E-4,-0.0010442977562859896,-0.0020236448699271457,-1.7054780899518313E-4,-2.527776775734458E-4,-3.4675467023431743E-4,0.2176740016927986,-0.017082555877579154,-0.05039828166672548,0.007030776437808197,-0.004335028876092854,-0.003219252809427553,-1.9110550163070153E-4,-2.0659847200107508E-4,-2.2430472385293054E-4,1.1956088210237035,-0.10240480359983412,-0.27240425572363786,0.03877454822579617,-0.023580282321335678,-0.012816109323945708,-0.0018677189077146747,-0.0020365194414958764,-0.0022294343372458777,0.688807954676839,0.01133600207737464,0.10226640289560278,-0.004564358208618429,-0.0045715360950715584,-0.04305526650479816,-0.004518826839326241,-0.006330853920170537,-0.00840174201256401,-0.5082122761292133,0.052179255822350105,-0.03018381311334832,0.004704874526238725,-0.019628098467766395,0.003159682944473851,1.6507665471608373E-4,4.540231654825458E-6,-0.0113435259150111,-0.15886570233888297,0.018184945671538007,-0.022968437781134183,-0.04849216134388438,0.002421099392556214,0.002286392655455538,0.0021324420987690663,-0.052023837580216975,-0.22387792583220592,0.029258958639640495,-0.020874073972848003,-0.028928505594457837,0.0010294269169468227,0.0010738398474277495,0.0011245974822631317,0.026021190613571405,0.18789634054113288,-0.026480847019835992,-0.02823401461006965,-0.05471199998199409,-0.004610992700023261,-0.006834189385880128,-0.009374985598287979,-0.07847770401946125,-0.23153101093741146,0.03229956900287371,-0.019915234903481224,-0.014789330762480565,-8.779436227777309E-4,-9.491187298180225E-4,-0.0010304617092926412,-0.08565075951192225,-0.2278372749796209,0.03243079805366161,-0.01972240577912915,-0.010719316467548564,-0.0015621488189719924,-0.0017033325663758227,-0.0018646854205516758,0.016457420388957377,0.14846867287353274,-0.006626459781173466,-0.006636880518048517,-0.06250692404532111,-0.006560358092040754,-0.009191029048351684,-0.01219751014127845,1.6038131242837368,0.9852582039507771,1.0230100940320719,0.9436469903261927,0.8568933740975871,0.7217636931299227,0.7544270204575976,0.7894877670703121,1.3129330317120114,1.278777234962607,0.9476757806223558,1.0047132669287415,1.0211711921756268,0.9319705981503981,0.9353556511624141,0.9392242831761467,1.5006815185989322,1.403569784654188,0.9388812588890705,1.0156891426720884,1.0091182507777914,0.9708434914080997,0.9685271867423189,0.9658799814099978,0.7461234186118205,0.7254928100885346,0.9658696486992202,0.9393304425700187,0.9808113581989095,0.7004064285465984,0.7377542264338377,0.7804374240192543,1.5752041697496124,1.4318096528602315,0.9343824956283638,1.0161561962864143,0.9950768993125781,0.972497639625493,0.9699387265544951,0.9670142544733544,1.587485608000071,1.430651055995984,0.9333659474991618,1.0151714291261962,0.9902359276936674,0.9690099225997255,0.9669625413591731,0.9646226770842562,0.5951531682752852,0.5020133786638422,0.8128921322784383,1.0981159438177321,1.174435585396563,0.6827729402713688,0.7230008859047908,0.768975680914416,316.89236144799753,158.69618072399874,254.08998279783992,317.3469069025428,14.424859404661042,158.69618072399874,0.49999999999994316,0.107224155822713,0.004873825264668772,-4.9122341874369875,230.07167819848615,10.457803554476643,11.964459990369544,316.90997305342,158.7042521058085,254.09943476331154,317.36318319723546,14.425599236237979,158.7042521058085,0.4985311581970109,0.10712996490467991,0.004869543859303632,-4.914167623867384,230.00224301202766,10.454647409637621,11.96379593442407,332.7564598708923,165.97923545738809,262.72342689080284,332.0310153653322,15.092318880242374,165.97923545738809,-0.7979889561161144,0.022373575046909844,0.0010169806839504475,-8.359724344187713,201.56493841267394,9.162042655121542,11.67344552982997,316.92845741989686,158.71272351016717,254.10935544181876,317.3802661475673,14.42637573398033,158.71272351016717,0.4969896004375016,0.1070311068342461,0.00486505031064755,-4.916198691125649,229.92953813465306,10.45134264248423,11.963100393310745,350.02868150341607,173.9320464873688,272.40745469399224,348.0608737500719,15.820948806821454,173.9320464873688,-2.1645885286784505,0.07080625427728665,0.0032184661035130294,-5.825177478855145,205.78067677502278,9.353667126137399,11.71898403669453,318.7400636346562,159.5431660032062,255.0832055371113,319.05485306352546,14.502493321069338,159.5431660032062,0.34626837175619585,0.09734474690132744,0.0044247612227876106,-5.124892321058017,223.56830518692558,10.1621956903148,11.901377363505159,329.41052884500345,164.83117837287978,266.65541260660115,330.2670367815113,15.01213803552324,164.83117837287978,1.1776984126983052,0.16234089886476966,0.007379131766580439,-3.9997250496218113,400.48535901687893,18.20387995531268,13.183889859972368,0,11.889999999999997,15.995924706363354,-0.3159760081460615,0.26151897396645246,4.19329376334982,7.636525943949743,21.0,61.0,60.0,60.0,20.0,1.0,1.0,0.0,0.0,1.0,46.602279999999986,3.5791568505350035,3.5318994782994753,3.446786081889567,3.3248463094355065,3.177484163003188,3.0374757129316876,2.9039468252491027,2.7162491102700996,1.9559799475306372,1.9071258240752396,1.828714617797988,1.7278154895911757,1.6540707880240777,1.5821685931024771,1.4475069975787742,1.3020651939189853,3.5822537107951757,3.527331319304758,3.4373226433759014,3.317047621401645,3.1823004027516206,3.0615233392263064,2.915711706025948,2.725186137235719,1.8989427509366825,1.8518616524006402,1.777325016423846,1.6860483133541675,1.6036713998533627,1.5080885160203894,1.3765498121705126,1.2304624184476567,3.7070502609213136,3.6636511905925326,3.5873675796198383,3.481990077727818,3.3603255594090373,3.2411783818323054,3.1066284824332673,2.9398139463538944,1.7254368029999032,1.6704805286737772,1.5822126679141049,1.4682540326720674,1.357864676598259,1.2657878547223125,1.1192267815756975,0.9446903078236129,3.6012598269309986,3.5433276742182223,3.44957510827952,3.3261577791058663,3.1939030309018195,3.0865869179785026,2.937998578955969,2.745898157247092,1.8637824182769331,1.8209514593912741,1.7517011235902975,1.6624591660333778,1.565583031878526,1.4608977209450227,1.3330811991321119,1.1872249232983842,3.7618063281311507,3.713544055265686,3.635633110236779,3.534828564586156,3.427635696730534,3.3194846783268437,3.1824460465369886,3.0205588600896003,1.6717972590683075,1.6174327794727137,1.529782197897291,1.4157544546484224,1.2967765384294754,1.1904871895025066,1.0449954262782672,0.8659635584160894,5.161794352806345,3.6118984865168815,3.554134922817035,3.506676281833603,3.443787426951261,3.3070076761073417,3.136734006417742,2.945183476003144,1.8217085180186348,1.760451495296297,1.6622096866318379,1.5328755135891372,1.384217721345303,1.3140716698882502,1.199619451192049,1.0250465045603467,0,0,1,0,0,3,16,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.49279927982674443,0.348461712529338,0.08333333333333333,0.10059223176554563,0.07112944921610614,16.30527233054749,10.808060412490448,7.632269453018,5.081951230073507,3.501256470510539,2.1466380477393474,1.429513972661226,0.9483190238696735,0.7411487422976131,0.5146695434519261,0.36344140252466667,0.25409756150367535,0.18427665634265997,0.12627282633760867,0.08934462329132663,0.06322126825797823,15.337311861099039,9.964690378025045,6.5047686381262,4.2897794361340935,2.873814332220598,1.8654269355176072,1.2306676882642225,0.8077134677588036,0.6971505391408654,0.47450906562024026,0.30975088752981905,0.21448897180670468,0.15125338590634727,0.10973099620691806,0.0769167305165139,0.053847564517253574,32.266154284551135,60.41806263656237,57.20784313725481,58.000000000000064,36.931568862275505,476.8741437125749,0.5204218432992118,0.9744848812348769,0.9227071473750776,0.935483870967743,0.5956704655205727,7.691518446977015,6.811000000000009,96.17900000000007,162.48749403768932,258.4183639143959,324.97498807537875,14.771590367062668,162.48749403768932,0.06362161332150401,0.0028918915146138187,-6.060564475386939,210.11350600603495,9.550613909365225,11.764825356873624,635,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,17.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.076787579578514,-0.030375831222935856,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.253604477895824,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.143619370014502,0.0,21.47663554829659,0.0,0.0,0.0,0.0,0.0,0.0,-0.030375831222935856,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.154735022192604,4.9220525573859115,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.9220525573859115,-0.030375831222935856,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20700429191888103,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8654427330676229,0.0,0.5114814814814814,0.0,0.0,0.0,0.0,0.0,0.0,-0.030375831222935856,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.154735022192604,4.9220525573859115,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.154735022192604,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.278176636946879,0.0,1.4449064866947765,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.154735022192604,4.9220525573859115,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,41.66666666666667,1.8939393939393943,0.5559027777777779,11.154735022192604,0.13550342275364335,-0.030375831222935856,12.146064894327655,1.6970424978896026,4.154735022192604,11.709928433050786,1.6970424978896026,4.154735022192604,11.709928433050786,10.66666,0.48485,0.0,0.01515,0.46667,0.7697,0.42941,0.46667,0.7697,0.03726,0.0,-0.03726,0.0,0.62992,0.08437,0.0,0.125,0.04688,0.0,12.75,0.57955,11.25,0.51136,1.5,0.06818,-9.75,-0.44318,0.0,0.0,28.07822,1.27628,31.96926,3.89104,0.17687,9.72862,0.44221,10.80805,1.07943,0.04907,0.10595,0.00482,0.10595,0.00482,0.0,21.02,2,2,2,2,0,0,0.95,1.0942658959797504,1.5432207824897417,2.4893219683156382,3.0546002542416235,3.4097408893906644,3.619903618268031,67.84448555074452,95.67968851436399,154.33796203556957,189.38521576298066,211.4039351422212,224.43402433261792,0.18378062108413254,0.2591820460802829,0.41807858500955164,0.5130163829017504,0.5726618189330602,0.6079583926302938,4.859930414407126,4.4109755278971345,3.4648743420712376,2.8995960561452523,2.5444554209962114,2.334292692118845,0.18378062108413254,0.2591820460802829,0.41807858500955164,0.5130163829017504,0.5726618189330602,0.6079583926302938,9.285756372440845,14.802083224109131,17.971334038892145,19.96859446690806,21.526706288218378,21.742606817952563,82.05817974081342,66.0779878347168,60.228285507600724,52.917678541294194,47.14262729714161,44.98473335396104,22.0,19.047619047619047,19.0,22,3,18,3.44,3.000999999999998,0.04999999999999999,4.192466550569759,0.28005601680560194,0.0,28.42338870952683,2.6864293036505376,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,10.344,21.0,20.0,19.0,17.0,16.0,15.0,14.0,13.0,12.0,190.0,3.1354942159291497,3.1780538303479458,3.1354942159291497,3.091042453358316,2.9444389791664403,2.8903717578961645,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,5.318119993844216,1.068421052631579,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.0,0.8571428571428571,20.0,0.9523809523809523,2,10.0,20.0,1.0,1.5,0.666666666666667,0.375,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.07142857142857142,0.03174603174603176,0.01875,0.008421052631578949,0.006535947712418302,0.00510204081632653,0.004166666666666667,0.0035273368606701934,0.0030769230769230774,0.0027548209366391185,0.17578442951060105,162.48749403768932,258.4183639143959,324.97498807537875,14.771590367062668,162.48749403768932,0.06362161332150401,0.0028918915146138187,-6.060564475386939,210.11350600603495,9.550613909365225,11.764825356873624,26.3,369.4201459184577,5.459431618637297,4.442651256490317,5.117993812416755,5.814130531825066,6.499787040655854,7.201170883281678,7.890956716138919,8.594709633844065,9.286653054825347,9.991818891326092,107.83987182080409,3.7612001156935624,0.0,4.844187086458591,0.0,6.056784013228625,0.0,7.3310603052186325,0.0,8.63994165667529,8.961237781491876,312.3028305200011,5.037142427741953,42.65157338339059,1.9387078810632088,5.316475192162178,5.316475192162178,0.0,1720.0,20.0,9.452000000000002,84.0,1.2437377049180327,2.1455950850026033,2.868527632259528,3.6360825105213994,4.938960402854605,5.940773573397038,7.258775800830265,8.368096893811668,9.669098893163193,10.817445753682419,86.07390002839344,84.73637570823608,83.52507314959497,115.43208498218274,135.80784389388015,159.61303240506442,187.7627130086697,216.06628524530248,244.70709584559668,273.5932652417957,293.5674318515159,338.4670888315972,355.0539684012607,493.3084343034723,610.704542866825,725.8436471491103,858.1734998372823,988.7050453892194,1120.2463310423866,1249.7677783334107,9.231162115934433,15.658138941391206,20.540311922072835,26.171367585591828,35.40794359448327,42.320875907837895,51.669260508188735,59.645785146606464,68.94041218786408,77.24758135373355,2.152107655757377,2.732329805148173,2.9812224763979436,4.101261635656784,5.192861640276243,6.225702990454291,7.4030460797899815,8.529447574028607,9.68955486546474,10.804078026122957,178.63246953486438,332.20875874296235,471.50033376880435,583.2555577465946,805.9078157710799,968.3617770444647,1190.7032838992777,1371.841298023332,1591.162168120222,1780.6175489669056,2.683435792349726,4.261512515954291,4.810061917743112,6.547978579529832,8.525019512493667,9.64507554266097,11.769167171813235,13.71585114905401,15.943845906651651,18.076283946631037,0.4588908196721308,0.5973197264688934,0.6565667446950072,0.8984908088333846,1.1410946737442642,1.361173409166301,1.6241317325153677,1.8751846995701338,2.1373811436762433,2.3901616275533466,829.4974194242045,1226.971818379336,27.26565330437812,227.39993817127626,-336.3642961433643,-21.8560242261954,602.0974812529282,1563.3361145227002,49.12167753057352,0.7848419843828278,1.1609186167053978,0.025797825217776568,0.21515801561717193,-0.31825635074783204,-0.02067941987850122,876.6936307217121,1296.7832726892427,28.81699693051173,240.33839377059763,-355.50253578338555,-23.09957425220874,0.17674747669227645,0.2135600388615532,2.9682228682973584,2.153009394555351,1000.5466347117335,56.35072288374751,0.9466828803395351,0.05331711966046498,1455.126558675364,38.146121148491154,11.331835354131787,1842.6080019468702,42.92561009405539,12.259638122380098,2605.515125668325,51.04424674405848,13.760404467848414,4.847732231794382,4.847732231794382,18069.22830442633,17966.208188409317,166.35877546880874,1.005734104544301,108.61602132803749,107.99675663504671,8.721119342736591,13.061375644960512,25.800777432234042,0.975349161800487,11.169248195011804,17.572270688590464,7.388741375049329,80.82114754816725,33.06786890483319,1.7534345157937519,15.167635920118732,10.110696263559065,62.35219782790897,1.8376772219529212,4.079758966635881,58.213851935074366,4.437947814161492,67.11886857513781,3.3600989857178822,7.143837025020963,33.09328000920357,3.0053584215988387,60.438322097188006,3.1703232920273514,9.219012941680532,23.40727530442306,3.619074001921693,47.85837843356956,3.4708867341975576,11.46639410936087,15.06607624465514,3.6122543929319355,31.914891279645357,4.284183361258609,0.9538651244591702,17.722646345276782,0.5961241381873691,17.566950349996244,0.3943342771062063,1.67514871708182,2.2708905000363084,0.5511007198161011,16.409567604680785,0.039675322306064735,2.73093206045503,4.767766260871865,0.31728210944094143,14.198093082027846,0.07353134951470505,2.920350916016891,1.3802389027432969,0.3684505652039415,10.915375242660406,0.1061343058425156,3.041086838560678,0.5961716241717645,0.4905787674352051,7.571066143919167,0.14984591101715927,3.007958100610617,0.3121599653593467,0.652318232765771,4.635706824614067,0.19853998952954316,3.031775460983813,17.44160433126061,1.6941590875547097,21.785557294947875,2.617393538905944,1.5285932487170466,4.521273101920185,1.4959971363390359,21.57291835619815,0.20355584450378456,2.4881371523019666,13.328257227337788,0.7011967088302477,21.971010224076352,0.3747273649514453,3.0638847383236603,4.963118580791939,0.6034045806466297,18.49388692167019,0.44799603960772266,3.6316260678192265,2.615532775419021,0.7592776861994871,13.560655995298472,0.5769198406345117,3.8446531823811885,1.5965039340653384,0.9385084126874528,8.558301700875118,0.7469965695170532,10.54797428791402,17.722770138546085,7.430206879845127,75.49793644241723,30.0154882556843,1.8315601395077783,14.64663358115627,9.712406280165391,59.53189677139571,1.655744169757127,4.136583847970461,54.476814414096815,4.025314136271795,63.53510247051402,3.0281233207299305,7.09939012641048,30.690417013900614,2.737583853614404,56.85901882478736,2.8824059376925533,9.253877002918692,21.530728622161938,3.2985783825263923,44.773281209133025,3.1788427258838103,11.486637390767552,13.635807658600624,3.3222205050212197,29.74895770663823,3.933059102929913,4.460697465443243,17.334854094758658,2.3918242539454977,26.974463497674822,5.331605222287287,1.483482333329246,6.11086366890354,2.3058712248993127,26.147688070308234,0.37636818650573256,2.4914596239797797,19.92013787494117,1.1002897257927204,28.12087760106551,0.6912494373564853,3.3877970078086213,8.14715270843495,0.8547900407783904,24.410175577711176,0.766881468453496,4.21942759089321,4.6704049175819,1.053620646758068,18.31777629351381,0.9445667420207113,4.622666693498988,2.9697609275107197,1.2294449737482898,11.730819058090308,1.2082687463039385,13.488507788954642,17.668013416668664,9.565927675884161,109.85925834939171,48.217910951885536,1.8669222705721915,18.677033124065634,14.139486126484876,79.5701904607735,2.592885812778143,4.855415708862561,73.87811672668109,6.154097331988294,83.98107906347829,4.737739901675285,8.784321428162272,45.32950778176005,4.120952561683101,75.8245932314962,4.350268729017345,11.178107892747475,33.20489373882488,4.959018747776488,60.72682537284926,4.6529430739658,14.331862357257332,21.387952817390676,4.823341564547424,40.87056695034831,5.698921015804051,7.299025798265192,17.54942536742195,5.755493578582292,52.14804891607189,16.216048698033646,2.1982359967156717,11.265777183450556,8.605187532897078,46.53894604088331,0.8283367926588642,4.1158574879500005,36.175719678228916,2.1870582674440695,46.10201352113457,1.5172149147462297,6.365402439034466,20.180029284543814,1.592045057442447,39.225161657151546,1.5299618342307162,8.331167807794515,13.67104963958282,1.9583004007022469,29.782812744760584,1.765128190063722,9.88746385824349,7.291320368791174,2.1459591300934444,19.45910394009175,2.215105025913703,57.69610148412434,0.831358325748615,0.5068296822580646,0.9773320214485676,0.014082634565449136,0.5396120339438072,0.6530914120455956,0.6128942301026941,59.03428949213102,77.62958819087335,160.97453830567193,0.9659980321728513,1.8055976760920969,58.25120692411457,0.43463759801019464,0.10134712522125325,0.9908826275212,0.007393406383783543,0.5501461399921921,0.17556558691387406,0.02450667090133373,58.78719164734602,31.26580629219075,92.61892114357353,0.9863239412818,0.7502183978073999,56.819953380524026,0.5598849260151795,0.2638382853902354,0.985710085475,0.009712859399630448,0.5233583638090723,0.29600453780924507,0.1660875513585638,57.64367659192944,46.95163354940689,112.98870131760305,0.9785651282125001,0.9854504529768812,58.08167173044039,0.8267887945392651,0.4909320663114491,0.9778159202751862,0.013919145608577913,0.5468521991578369,0.6459602054382984,0.5750482024989966,59.39939259129111,76.94132760359082,159.91590413174268,0.9667238804127793,1.7678606070951317,56.50826785227903,0.627387822506833,0.3397273680462567,0.9831734015616326,0.010915765833857734,0.5176224432412677,0.37196406648557334,0.2753737377691864,57.47538304283212,54.86314504546639,124.38274627823598,0.9747601023424488,1.1649602474960274,57.94086077121317,0.8686533876389539,0.5365654064205855,0.9763216238654149,0.014637081236066352,0.5442001131101382,0.7130104689019378,0.6869209928958315,59.34607956527271,81.88567585767295,168.23737402044173,0.9644824357981224,1.9441315749079076,58.1230146028298,0.8341002761375016,0.493679458527013,0.977665904224477,0.01403009472678236,0.5476339474945254,0.6572731995275755,0.5815024710048768,59.450794337494315,77.58633907992785,160.97092216127453,0.9664988563367154,1.7864096180269777 +UMLCN0172,L,ethyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCC,Esters,Olefins,C20H38O2,NREL (2014),Other Ignition Delay Method,PubChem,,61,0,-1.8413000000000015,3.3903856900000053,77.9799,62.14213399999995,0,0,60,22,38,0,20,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3435.828853999997,3633.3154890000033,4161.8233370000125,3946.447495999999,3786.986767,3442.4714729999996,3203.430151999999,3006.673422999999,2809.9166939999996,10084.301877290685,12891.484159795114,16943.24242042616,17701.44823695641,16968.73313221194,16095.02712627125,15028.690356025307,14021.892011070175,13015.093666115048,432.81538399999965,436.3009560000003,815.6711960000011,1095.4643120000032,1011.6671560000025,989.3286600000027,938.3410400000026,875.4561400000025,812.5712400000021,73.9596983842619,96.53290377999991,138.19994405382906,151.99873762718533,144.89787199784618,139.07731136384598,131.11915597554372,122.09762711614768,113.0760982567517,9933.660470326464,8560.9852079552,17466.957814956204,25271.946767711044,23078.996510371075,22677.79800713643,21752.795934154885,20273.840779116308,18794.88562407773,151.77777777777777,129.25,225.08333333333331,263.25,258.33333333333326,246.58333333333331,219.33333333333331,207.08333333333334,195.16666666666669,57.263814233333285,61.58161845762717,37.159136937500115,25.793774483660123,26.858062177304962,24.945445456521735,24.268410242424235,24.44449937398373,24.648392052631575,168.07169795484475,218.4997315219511,151.2789501823764,115.69574011082621,120.3456250511485,116.63063134979167,113.85371481837353,113.99912204122093,114.16748829925481,7.213589733333327,7.394931457627124,7.282778535714296,7.1598974640523085,7.1749443687943435,7.169048260869585,7.108644242424262,7.117529593495956,7.127817894736861,1.2326616397376984,1.6361509115254222,1.233928071909188,0.9934558014848714,1.0276444822542283,1.0078066040858404,0.9933269392086645,0.9926636350906315,0.991895598743436,165.5610078387744,145.10144420263052,155.95498049068038,165.17612266477806,163.68082631468846,164.33186961693065,164.79390859208246,164.82797381395372,164.8674177550678,2.5296296296296297,2.190677966101695,2.009672619047619,1.7205882352941178,1.832151300236406,1.7868357487922704,1.6616161616161615,1.6836043360433606,1.7119883040935675,0.3351433479174846,-0.16212996630776405,0.026401548415292953,-0.026204300652741624,0.004308098381078028,-0.014689160408096284,0.004728323312923573,0.0019198505720083399,-0.020465850430449187,1828.763645933331,-19.465377334439474,-529.1441907422194,91.7262375033315,-129.4165815766674,-238.26172121333457,-0.9892061200019882,-3.236506930001603,-5.483807740001218,2980.2795494543684,-150.98007647943928,-1223.557660454101,259.1275655265658,-175.75201619791812,-224.34440214501302,4.6870127596862545,3.8525401582430874,3.018067556799693,2.2786477333333295,0.056553328888879095,0.816945564444437,-0.18530278666666464,-0.19382310666666674,-0.3368704533333321,-0.04924847999999375,-0.060526919999995106,-0.07180535999999627,13.273479456362704,-1.017901984264959,-5.621676338714738,1.3117850389968633,-0.6871338511592486,-0.4737965739498487,0.008067724171324037,0.00788491484283213,0.007702105514341112,72.95403771232255,-6.108488961871969,-30.355603883532826,7.298322920932318,-3.640079164257049,-1.7765166434011874,-0.0030767678239520535,-0.0030806121684356924,-0.0030844565129264367,43.32592592592589,0.6165432098765427,11.197160493827136,-2.0088888888889054,-2.399259259259267,-8.144074074074124,-1.8725925925925946,-2.157037037037039,-2.108148148148148,0.00558572246529141,-0.0027479655306400686,2.3572811085082994E-4,-1.71269938906808E-4,3.055388922750375E-5,-1.0644319136301655E-4,3.5820631158511915E-5,1.5608541235840163E-5,-1.7952500377587007E-4,30.47939409888885,-0.32992164973626226,-4.72450170305553,0.5995178921786373,-0.9178480962884212,-1.7265342116908302,-0.007493985757590819,-0.02631306447155775,-0.048103576666677354,49.671325824239474,-2.5589843471091402,-10.924621968340189,1.6936442191278809,-1.246468199985235,-1.6256840735145872,0.03550767242186557,0.031321464701163315,0.026474276814032395,0.03797746222222216,9.585309981165949E-4,0.007294156825396759,-0.0012111293246187232,-0.0013746319621749414,-0.0024410902415458848,-3.730945454544981E-4,-4.920887804877651E-4,-6.298715789473357E-4,0.22122465760604507,-0.01725257600449083,-0.050193538738524446,0.0085737584248161,-0.004873289724533678,-0.0034333085068829618,6.111912251003059E-5,6.410499872221244E-5,6.756232907316766E-5,1.215900628538709,-0.10353371121816897,-0.2710321775315431,0.047701456999557634,-0.025816164285510985,-0.012873309010153532,-2.330884715115192E-5,-2.5045627385656036E-5,-2.7056636078302077E-5,0.7220987654320982,0.01044988491316174,0.09997464726631371,-0.013129992737835983,-0.01701602311531395,-0.05901502952227626,-0.014186307519640867,-0.01753688647997593,-0.018492527615334632,-0.49196241806058044,0.04220190178004698,-0.030662092499411847,0.005469997733929614,-0.01905629791391065,0.006412891328041149,0.0027943639041911935,-0.03213997918647112,-0.010824416281565446,-0.1550064180320358,0.01966961318960383,-0.03011372513871206,-0.05664594926294064,-2.4587056203535286E-4,-8.633066781506989E-4,-0.0015782327073368893,-0.051518341913482056,-0.21993819949555288,0.034097020585292834,-0.0250943211058192,-0.032728823854370676,7.148525196913088E-4,6.305743642115252E-4,5.329891315506827E-4,0.025239469465016526,0.1920654092871074,-0.03189073871055139,-0.036195993142758974,-0.06427733973539453,-0.009824104182405988,-0.012957389769973201,-0.016585404660840453,-0.07798667739476883,-0.2268894402716566,0.03875588968063485,-0.022028691454512226,-0.015519556201537749,2.7627626672100444E-4,2.897732984013476E-4,3.0540144034704335E-4,-0.08514981305881683,-0.2229065198011077,0.0392313778609409,-0.021232133350023275,-0.01058746801177733,-1.9170026401881957E-5,-2.0598416349004042E-5,-2.2252341550986136E-5,0.014471545186631931,0.1384501013604277,-0.018183098166604815,-0.023564675540099694,-0.0817270882425095,-0.019645937922566442,-0.02428599427044027,-0.025609415914551317,1.5716389909463822,1.0010482980249908,1.05382252363834,0.9873691211724587,0.9012592691177362,0.7655922700688079,0.8074630370761484,0.8893820687135249,1.270864276074268,1.2573141488516475,0.949505954765959,1.0184552753490577,1.036702387977888,0.9422558200098049,0.9476914512777445,0.953985340114306,1.452579798422221,1.3768413804458073,0.9329241681817277,1.0222681177611965,1.0157102152411268,0.9755789508832099,0.974494442972156,0.9732386969698832,0.7404830397069427,0.73305600002227,0.9997380879808558,0.9834438498366033,1.0288344637681817,0.7344460992861707,0.7782012169254385,0.8288650373498541,1.5257640228179215,1.4036069074166293,0.9264695168964412,1.02089334573832,0.9988305371018427,0.9755280971341401,0.9741682143916173,0.972593613321328,1.5380892160726518,1.4023775487388819,0.9254424631457688,1.0198806035699344,0.9937262224902139,0.9719034664754431,0.9711281528490686,0.9702304212816869,0.603949393058643,0.531604150892705,0.8574115233373233,1.164990469365559,1.2466456547756222,0.7410649061999726,0.7897535121701026,0.842148005507015,306.43906565106806,153.46953282553397,244.66968800093912,306.89361110561333,13.949709595709702,153.46953282553397,0.4999999999998579,0.08659589596091477,0.0039361770891324895,-5.3823062816342295,194.66399596044164,8.848363452747348,11.596804944306369,306.4567481344802,153.47763964633873,244.67926323966412,306.909958278296,13.95045264901345,153.47763964633873,0.49853115819720983,0.08649585119500702,0.003931629599773046,-5.384849424367756,194.6589626541628,8.848134666098309,11.596748059534644,322.37002378185656,160.78601741287008,253.42565617862,321.6445792762962,14.62020814892256,160.78601741287008,-0.7979889561163986,0.0035744343819060775,1.624742900866399E-4,-12.394686326450786,200.4033604473391,9.109243656697233,11.66073070309271,306.47530690221686,153.48614825132734,244.68931333116558,306.9271156298876,13.951232528631255,153.48614825132734,0.49698960043781426,0.08639084906355293,0.003926856775616042,-5.387521749274843,194.6537060346649,8.847895728848405,11.596688649380154,339.7181970174911,168.77680424440626,263.2692457367459,337.750389264147,15.352290421097587,168.77680424440626,-2.164588528678536,0.10261709169928163,0.004664413259058256,-5.008851703583985,271.19502736055017,12.327046698206827,12.326244084455299,308.29425696725747,154.3202626695068,245.67599964367537,308.6090463961267,14.027683927096668,154.3202626695068,0.346268371756139,0.07610172159301676,0.0034591691633189437,-5.666505661514501,194.26711341897166,8.830323337225984,11.592314987739528,321.5478035946825,160.89955602267167,257.74664308125756,322.31005292121836,14.650456950964472,160.89955602267167,1.045714285714439,0.11783206210455222,0.005356002822934192,-4.704688715616733,194.28677305826665,8.831216957193938,11.592537614293995,0,11.889999999999997,15.995924706363354,-0.3159764904933029,0.26151877865739515,4.193953002019272,7.802377367295683,21.0,59.0,57.0,57.0,19.0,2.0,2.0,0.0,0.0,2.0,44.41586599999999,3.590739482339212,3.5476175328031436,3.4523162853520786,3.331294942418948,3.1751592625199097,3.0427810641454323,2.8908160459342165,2.7155938539606184,1.9467676436223778,1.904893023148856,1.8151920979462939,1.7205112126148776,1.6492609948546684,1.5648770652804347,1.4294232063732548,1.2765680084380833,3.6040386068056023,3.526230425736204,3.45017088982775,3.3131732575984976,3.183836074693737,3.064004859642426,2.899249809615432,2.7254207652725095,1.8930056715267498,1.8499851884837648,1.7682084108249843,1.680172618773979,1.5963553456018083,1.494335290468226,1.360382086683115,1.2084333261112696,3.714560006665864,3.66362876814593,3.5900905709365016,3.4790472083562443,3.355470433034651,3.2385129947978353,3.091327558404868,2.930664270172798,1.7320330519075655,1.6684028538647022,1.584795852212923,1.4612189410717522,1.3550814442159484,1.2613890633738252,1.1021259223451374,0.9330634946797782,3.6211221771715727,3.541450510543028,3.4619741976736407,3.3198577104473124,3.1961144668565593,3.0877425755093033,2.9207944354362634,2.7445989272646516,1.8603513692083269,1.819200511173052,1.7458064795199768,1.656343133441698,1.5578020834910313,1.449538884053238,1.3178662033740054,1.1679406909866004,3.765196386939718,3.7119209622914293,3.6356105266364827,3.529524595896453,3.422238409770456,3.3134684530097953,3.166493714488337,3.007374046820432,1.6835555821970718,1.6156155192595787,1.5363939982015036,1.4098739290161852,1.2950828231748088,1.1888818628770659,1.028191544274367,0.8590144630487805,5.04302032363036,3.696572700723667,3.5278366936497423,3.476760847049355,3.4364355823323756,3.2886277439601215,3.1260422377893984,2.9204450475157224,1.817497605222101,1.7846457343487199,1.6429331879523996,1.54811514200572,1.3736823429206317,1.3298476958467804,1.2006054049791541,1.0028750352180908,0,0,1,2,0,3,14,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.49279927982674443,0.348461712529338,0.08333333333333333,0.10059223176554563,0.07112944921610614,16.30527233054749,10.808060412490448,7.632269453018,5.081951230073507,3.501256470510539,2.1466380477393474,1.429513972661226,0.9483190238696735,0.7411487422976131,0.5146695434519261,0.36344140252466667,0.25409756150367535,0.18427665634265997,0.12627282633760867,0.08934462329132663,0.06322126825797823,15.077798837105195,9.614520292286103,6.139309865733762,3.9480277265979566,2.5732338158266206,1.6112177474162053,1.0214518649683548,0.638942207041436,0.6853544925956907,0.4578342996326716,0.29234808884446484,0.19740138632989784,0.13543335872771686,0.09477751455389442,0.06384074156052218,0.04259614713609573,31.724326480765264,58.53022578295712,55.48235294117639,56.24000000000006,36.13301437125754,460.588583233533,0.5287387746794211,0.9755037630492853,0.9247058823529398,0.9373333333333344,0.6022169061876256,7.6764763872255495,6.513190000000008,95.81500000000007,162.48749403768932,258.4183639143959,324.97498807537875,14.771590367062668,162.48749403768932,0.06362161332150401,0.0028918915146138187,-6.060564475386939,210.11350600603495,9.550613909365225,11.764825356873624,635,0.0,0.0,2.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,17.0,3.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,15.0,0.0,2.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.058523116768598,4.671975117625127,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5107638706383713,0.0,0.0,5.228121956099408,1.149423368788899,0.0,0.5107638706383713,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.12601572840445,0.0,17.81015270386849,0.0,4.713523788354236,0.0,0.0,0.0,0.0,-0.04154867072910862,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.145602790787645,4.912920325980952,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.912920325980952,-0.04154867072910862,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25386354328214555,0.0,0.0,0.21259071167196744,0.30796889348025713,0.0,0.25386354328214555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8590119309637436,0.0,0.5038770278543006,0.0,2.351842349402775,0.0,0.0,0.0,0.0,-0.04154867072910862,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.145602790787645,4.912920325980952,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.145602790787645,2.3616814389514604,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2569003273562257,0.0,0.0,0.5597050045913683,0.5194926697530864,0.0,0.2569003273562257,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2670037974407062,0.0,1.4130762038611742,0.0,2.3616814389514604,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.145602790787645,4.912920325980952,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,42.66666666666667,1.9393939393939397,0.5597050045913683,11.145602790787645,0.1400695384561228,-0.04154867072910862,11.692577421247325,1.7082153373957754,4.145602790787645,13.078101405127077,1.7082153373957754,4.145602790787645,13.078101405127077,10.66666,0.48485,0.0,0.01515,0.47222,0.7697,0.42941,0.46667,0.7697,0.04281,0.00556,-0.03726,0.0,0.62992,0.08437,0.0,0.125,0.04688,0.0,13.75,0.625,11.25,0.51136,2.5,0.11364,-8.75,-0.39773,0.0,0.0,26.39973,1.19999,31.96926,5.56953,0.25316,9.18573,0.41753,10.80805,1.62232,0.07374,0.10595,0.00482,0.10595,0.00482,0.0,21.02,2,2,2,2,0,0,0.85,1.1092271387984602,1.9914583396235688,3.2146669693544996,4.043019030245397,4.4712411708182245,4.500117729665741,66.55362832790762,119.48750037741412,192.88001816127,242.58114181472385,268.2744702490935,270.0070637799444,0.18778528581909334,0.33714156498922115,0.5442232114040585,0.6844580858245762,0.7569534425002507,0.761842065097897,4.797663456810058,3.9154322559849497,2.692223626254019,1.8638715653631213,1.4356494247902942,1.406772865942778,0.18703022502329772,0.3357859615549788,0.5420349589576496,0.6817059667502983,0.7539098287997337,0.7587787948665031,9.376635550366737,18.025658009046026,22.629786594732057,25.460908874586607,26.763591123394818,25.465367904921653,81.87455319060686,56.43163320155181,44.43901261932613,33.24836084328775,28.479775086174666,31.650343159527537,22.0,19.047619047619047,19.0,22,3,18,3.44,2.9579999999999984,0.04999999999999999,4.192466550569759,0.28005601680560194,0.0,28.42338870952683,2.6864293036505376,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.446,0.43,0.658,0.21600000000000003,10.284,21.0,20.0,19.0,17.0,16.0,15.0,14.0,13.0,12.0,190.0,3.1780538303479458,3.258096538021482,3.258096538021482,3.258096538021482,3.1780538303479458,3.1780538303479458,3.1780538303479458,3.1780538303479458,3.1780538303479458,3.2188758248682006,5.560681631015528,1.3631578947368421,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.0,0.8095238095238095,19.0,0.9047619047619048,2,10.0,20.0,1.0,1.5,0.666666666666667,0.375,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.07142857142857142,0.03174603174603176,0.01875,0.008421052631578949,0.006535947712418302,0.00510204081632653,0.004166666666666667,0.0035273368606701934,0.0030769230769230774,0.0027548209366391185,0.17578442951060105,162.48749403768932,258.4183639143959,324.97498807537875,14.771590367062668,162.48749403768932,0.06362161332150401,0.0028918915146138187,-6.060564475386939,210.11350600603495,9.550613909365225,11.764825356873624,26.3,366.78368721765764,5.459431618637297,4.442651256490317,5.117993812416755,5.814130531825066,6.499787040655854,7.201170883281678,7.890956716138919,8.594709633844065,9.286653054825347,9.991818891326092,107.83987182080409,3.7612001156935624,0.0,4.844187086458591,0.0,6.056784013228625,0.0,7.3310603052186325,0.0,8.63994165667529,8.961237781491876,310.28718045600107,5.171453007600018,42.65157338339059,1.9387078810632088,5.316475192162178,5.316475192162178,0.0,1720.0,20.0,8.936000000000003,84.0,1.2343537299554856,2.1398844803036385,2.8879717990899314,3.6794230145767655,4.995692177810355,6.008774843954528,7.335632765646025,8.451622625105284,9.756713595571085,10.910014718261378,88.05269986039457,88.86901401953878,89.1753781624405,124.66434080647498,146.60418537496028,172.63108401619814,203.89787272135737,235.8598149541572,268.7230584558821,298.8589161617475,296.5413570614958,347.2878386946719,370.3912713101069,519.8939377168924,642.9842159640858,764.2427944929314,905.4356890239422,1045.8211509887303,1188.8018000276616,1329.8581838980633,9.179495274902498,15.661361414418293,20.749525970926236,26.584841013111546,35.9507254553465,42.94306589936491,52.400741173801364,60.472852849282,69.86589218977623,77.71659211803427,2.16077482245693,2.776489043446208,3.0732210768436565,4.26895175189489,5.398631198272562,6.471829458216454,7.702950390558781,8.887698727842688,10.11393131415262,11.376825536754232,176.90873079904955,330.1517946086373,472.8540094457883,586.8963308116474,811.0713172334735,974.5686197078601,1197.0929242029304,1377.8640286866034,1596.0919580614084,1779.1441060179345,2.7964800171159645,4.4610278433136,5.103497898507055,7.038544777612565,9.149329556929446,10.357503359486778,12.671977635496878,14.8594480239872,17.604359410802424,18.832376043651102,0.4610265027977678,0.6072614822511835,0.6770442251984283,0.9352875783863681,1.1863480926031487,1.4145392468104347,1.6895276569928652,1.953604675861931,2.2308798248388837,2.4966515987379068,743.5452115678553,1119.2185572065673,23.641189949666455,150.06708245913256,-225.88789612396243,-19.528811854327706,593.4781291087227,1345.1064533305298,43.17000180399416,0.8320669003076624,1.2524654872001637,0.026455757276043552,0.1679330996923375,-0.25278064954323515,-0.021853786015323014,664.4411422219332,1000.1474624229362,21.12605798444921,134.1017898142426,-201.856201048264,-17.451186360767217,0.17368617444145393,0.20986113554543484,1.0378172330310111,2.886701120788588,842.042387938611,51.569906088376825,0.9422905140931068,0.057709485906893045,1466.0375206674491,38.28886940962673,11.360087987883741,1845.6285839065986,42.96077960077771,12.266333528211657,2596.034854423273,50.951298849227314,13.743694924204458,6.0517887660416525,6.0517887660416525,18262.349622718317,18156.15370735654,159.8370998517712,1.005849031522505,114.25601215021011,113.5916112354021,8.721964827799663,13.34533580132025,26.55325415010371,0.9897029603014416,15.1189326008866,17.24781951443152,7.993856279585408,75.48821473042511,37.15709193632982,1.0993387652485875,20.642050544955065,13.396737033425875,60.26068395715917,0.6920045280798286,2.7666332807057015,47.467804848496,4.8442331615244765,67.23798826310053,0.01722651159376089,3.9214561229058127,33.78199329387775,2.6864274133838797,62.13397452822195,6.661804463536362E-4,1.692997912272191,24.830452840358507,3.2545785691590337,57.94786856907037,8.480765440470085E-4,4.0752026346773595,14.125756240179626,2.5073597371057095,43.24178205747002,0.014825761880396481,1.276187328791045,17.51671936341025,0.6910518049847333,18.44474323316878,0.3214857476253009,0.19662487513333143,3.2371574477728546,0.27731081663367285,16.475398483629196,0.005014523321946698,0.39311352552203116,4.482397169814998,0.15248009957525663,15.425812630808908,1.5296115752599416E-4,0.52053489892202,2.4504649373962244,0.108279272218601,12.742839502760145,4.7224179019420667E-5,0.6897760536283755,0.6267432056271969,0.13640671719228936,9.088513673954353,7.011902611103994E-5,1.586656319478625,0.2802198781562643,0.13783904827978277,6.551550581847484,0.0012441719560148641,4.09855098797558,16.99055507103697,2.0633823631775186,21.560761049109995,2.8034399389240185,0.3526780380072644,6.5206249551377775,1.306388359249487,21.86427600140642,0.051150139193159076,0.6052604438773327,11.718126759464425,0.6143735794439119,22.459178805807586,0.0013455956176340973,0.7807360442387115,5.809652362732204,0.4266969774424706,19.167974433027975,1.5816726831250662E-4,0.7518957687793208,2.891539420416742,0.5303564320879776,15.68572132357924,2.2704733699592807E-4,1.7914583208662653,1.4031624370542792,0.4916675780556071,11.345562011848429,0.004016372674544531,14.273317237544811,17.528611503669126,7.860982848219367,70.12644425788123,33.27628532861467,1.1133478010427114,20.228698889134332,12.299349884585883,57.62580996045277,0.6166603686036128,2.535520903698246,44.741359687637136,4.486617797774666,64.81695440300996,0.01537029214515825,3.574336243744002,31.24208676946796,2.4551206689361527,59.28852776989906,6.228407186932266E-4,1.6415384652235634,22.466098889515038,2.9778862600752865,54.7184624296807,7.997893017296486E-4,3.9035193462236566,12.865892354268368,2.3163680646728144,40.75702194606145,0.01399427436623539,6.037129068156399,16.791500633656675,2.9504131825808897,26.185143930334252,5.96382020680515,0.4496795624631353,8.684277957689336,2.4304475552300473,26.418847811660484,0.11075915830714703,0.8322981316609586,17.13658086497942,1.0520370562817463,28.03890965863524,0.002844975016175674,1.0889466749653869,9.02644901949785,0.7069788684262901,24.52734199272214,2.388985255595112E-4,0.8322361124378225,5.2269102151942795,0.8728042824430524,21.077550206201064,3.353287439931951E-4,2.0251673872513836,2.6317873441451494,0.7731123482323763,15.32971028836973,0.005919428678950573,18.2583086868596,17.433417150233634,9.943047467532649,102.07890358552633,54.164505391169854,1.364510910340116,25.14239439151572,19.260155906158978,75.9229936970489,1.0087654697423885,3.7570574695149417,59.40656157210669,6.7832957465556385,84.50096072878763,0.025020076923337,5.4162716213438555,45.56423067542965,3.6265396418403935,78.76163941485524,8.328334366919774E-4,2.125725367842689,34.900340980282,4.376469685188237,74.52117705041465,0.0010276137292422295,5.0511997721366315,20.22673315413202,3.266675556191772,55.97671705368534,0.017904422575531615,9.44348473268698,17.308257935300755,5.810009528224002,45.16234698196294,15.44115416345768,0.8735017666681436,15.745691704504392,7.399510393995152,42.76588193144686,0.2678748555561433,1.4292401744504277,30.02788255401594,2.7950257982264146,50.95275978904241,0.006739095862125881,1.9371040738656633,19.73598302271572,1.2634805388023767,44.33765394363462,3.6476374433655544E-4,1.3658193677813746,11.223604760038127,1.6375294683570982,36.76066431940323,4.891335462194812E-4,3.404586953455013,7.029243126148185,1.445226848725026,27.279480967467265,0.011460772989716112,60.30095678278406,0.8535526182714058,0.4435391580306428,0.978942648238964,0.013856812646469808,0.552033282473973,0.6634855003798291,0.5666243442148787,61.598048559086116,78.5944591557374,163.02148571895614,0.9684139723584462,1.782143127068681,59.20228332229222,0.4320978274874805,0.08638759429289751,0.9913181723429868,0.007235302501533306,0.5321032128394491,0.16666630681076153,0.02149483194181797,59.72076874407259,30.732848730535952,92.66351390171324,0.9869772585144801,0.7202643515920286,58.402319256125445,0.5644800273234964,0.22725952772021216,0.9866246787102505,0.009536092619095523,0.5178047853284565,0.2897363006194177,0.14875634312601677,59.19405881116916,46.367709725782404,113.05382038111676,0.9799370180653757,0.956297429073891,60.6335412188328,0.8477673894069474,0.42917803105956365,0.9793743275205345,0.013693437661800008,0.5581296506404417,0.6540748944829157,0.5305254959707202,61.91048663929931,77.78956592503815,161.76115052900298,0.9690614912808018,1.7427300410940776,58.3887379941123,0.6363030764928681,0.2940719393366261,0.9843157631896222,0.010726780024276909,0.5175780220190626,0.36872938584483755,0.24907977525981886,59.31911300994179,54.51054191524654,124.75529016633429,0.9764736447844333,1.135387183123719,60.68032478766037,0.8937327897611921,0.4704817300023354,0.9780123354127267,0.014404697008593198,0.5590001337399715,0.7274032550968104,0.6375537736724352,62.044539307423896,83.2014650883796,170.7611676747048,0.96701850311909,1.923957162509217,60.59892439054132,0.8543948321073868,0.43141686236317556,0.9792224742995715,0.013806228904873945,0.5574895391518534,0.6639939794083412,0.5360749649577622,61.88473608501189,78.28740599138251,162.50892607022183,0.9688337114493573,1.7575584835179567 +UMLCN0173,L,linolenic acid,CCC=CCC=CCC=CCCCCCCCC(=O)O,Acids,Olefins,C18H30O2,NREL (2014),Other Ignition Delay Method,PubChem,,20,1,-0.0979000000000014,0.009584410000000274,80.27520000000001,53.287789999999966,0,0,50,20,30,0,18,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3139.1720999999975,3204.050579000002,3639.7276750000037,3304.216209,3103.4395759999998,2922.854190999999,2727.1135259999987,2540.4317569999985,2358.8303079999987,8988.598118344575,11214.621839260757,14427.45940345643,14733.353234177786,13759.27787496771,12991.551124106823,12015.836523582622,11061.607306136151,10262.796810844331,363.98663999999985,364.1390360000001,639.995164000001,852.9790920000025,787.7406560000021,758.8472440000018,702.6808080000013,633.4766120000007,597.8647360000003,64.82499514547003,82.91753297599998,116.0827331230368,125.09790476820469,116.65515223280875,110.52561930280875,101.94870334826179,93.15149298916783,86.57734715431887,8200.730541952471,7087.928870730252,13499.639788310129,19418.190203822727,17907.173319800895,17321.0113205722,16026.97381755787,14331.305906183672,13560.226254930722,168.27777777777777,124.66666666666667,215.74999999999997,231.08333333333331,208.83333333333331,203.08333333333331,192.33333333333334,176.33333333333334,168.66666666666669,62.78344199999995,65.38878732653065,41.36054176136368,27.766522764705883,28.21308705454545,27.574096141509425,27.827689040816313,28.8685426931818,28.419642265060226,179.7719623668915,228.86983345430116,163.9484023120049,123.80969104351081,125.08434431788828,122.56180305761154,122.61057677125125,125.70008302427445,123.64815434752207,7.279732799999997,7.4314088979591855,7.272672318181829,7.167891529411786,7.16127869090911,7.1589362641509595,7.170212326530626,7.198597863636372,7.20318959036145,1.2964999029094004,1.6921945505306117,1.3191219673072363,1.051242897211804,1.060501383934625,1.0426945217246109,1.0402928913087937,1.0585396930587254,1.0431005681243237,164.01461083904942,144.65160960673984,153.4049975944333,163.1780689396868,162.79248472546269,163.40576717520943,163.54054915875378,162.85574893390537,163.37621993892435,3.3655555555555554,2.54421768707483,2.451704545454545,1.9418767507002799,1.8984848484848482,1.915880503144654,1.9625850340136055,2.003787878787879,2.0321285140562253,0.4012720319879998,-0.22368911644226708,0.08125275898605575,-0.06602288380811318,0.00421397138889712,1.8086665662033798E-4,0.003668511538205115,6.513498011324979E-4,-0.019827793756606683,1588.6399780800023,-59.691122958397536,-467.7303486607986,-72.74091179040138,-61.73065873600109,-15.08932460960136,-1.467055996801001,-79.6267233808006,-53.7855561728004,2556.315823001503,-51.480259997088254,-1112.010435414669,-28.475760476093924,-67.59764464769154,6.887114870383037,34.87049207155069,-90.18940511356138,-48.96208837935145,2.2031596799999953,-0.09205632640000097,0.9050333632000003,-0.17078355839999818,-0.10140505599999855,-0.08807596159999867,-0.09802049279999892,-0.14222135679999925,-0.13848058879999936,11.433784675788,-0.08713932699361739,-5.077940540573461,0.12051575028636058,-0.20696942065959806,0.08782498361404062,0.21288460941192,-0.29853070437747864,-0.13810458644767937,63.04558760158791,-0.25885200273844344,-27.284766496902158,1.0178885785724079,-0.9989682550696006,0.5366243289780934,1.2097029493239813,-1.4978576257554774,-0.6694572348956394,59.742222222222225,-1.7551555555555534,23.46035555555556,-6.378711111111091,-3.9651111111110926,-4.401288888888871,-5.260311111111093,-6.134088888888876,-6.237644444444429,0.008025440639759997,-0.004565084009025859,9.233268066597244E-4,-5.548141496480098E-4,3.8308830808155636E-5,1.7062892133994148E-6,3.7433791206174646E-5,7.4017022855965665E-6,-2.388890814048998E-4,31.772799561600046,-1.2181861828244396,-5.315117598418166,-0.611268166305894,-0.5611878066909189,-0.1423521189585034,-0.014969959151030623,-0.9048491293272796,-0.6480187490698843,51.126316460030054,-1.0506175509609847,-12.63648222062124,-0.23929210484112542,-0.6145240422517413,0.06497278179606639,0.3558213476688846,-1.0248796035631975,-0.5899046792692946,0.044063193599999904,-0.00187870053877553,0.01028447003636364,-0.0014351559529411611,-9.218641454545323E-4,-8.30905298113195E-4,-0.0010002091102040706,-0.0016161517818181733,-0.0016684408289156548,0.22867569351576,-0.0017783536121146405,-0.05770386977924387,0.0010127373973643746,-0.0018815401878145277,8.285375812645342E-4,0.002172291932774694,-0.0033923943679258937,-0.0016639106800925224,1.2609117520317583,-0.005282693933437621,-0.3100541647375245,0.008553685534221915,-0.009081529591541824,0.005062493669604655,0.012343907646163074,-0.017021109383584972,-0.008065749818019751,1.1948444444444446,-0.035819501133786805,0.26659494949494955,-0.0536026143790848,-0.03604646464646448,-0.041521593291404445,-0.05367664399092952,-0.06970555555555541,-0.07515234270414975,-0.5688265870922171,0.1150499826869739,-0.06913192366028163,0.0047734239810290685,2.1261003476195944E-4,0.004664390765127398,9.222798619837423E-4,-0.029766475403404623,-0.03834053654801998,-0.16728515182029813,-0.019238725411048138,-0.017662523115185576,-0.004480314008292402,-4.711564406531872E-4,-0.028478734697991854,-0.020395393481569893,-0.020549447402148462,-0.24716199201443137,-0.004680409648291427,-0.012019720660536318,0.0012708285340067738,0.006959651551409175,-0.020046028631153904,-0.011538180727932454,-0.042636504195091615,0.23340273811573345,-0.03257040254433951,-0.020921410141604768,-0.018857128370132408,-0.02269942390657932,-0.03667804463946473,-0.03786472773765673,-0.007776749617650461,-0.2523393233976002,0.004428705918823761,-0.008227985051174032,0.0036231991626492327,0.009499443947788806,-0.014834958258001718,-0.00727629007924206,-0.004189582597612721,-0.24589679986559063,0.00678373051915728,-0.0072023514547377215,0.00401494685210702,0.0097896681716804,-0.013499048887567403,-0.006396759967557667,-0.02997838028233161,0.22312105206205787,-0.04486158397297306,-0.03016833263448336,-0.03475062673175866,-0.044923541504088456,-0.0583386028864751,-0.06289717716274994,1.5492318721475262,0.6555486359908917,0.8070671489996081,0.7472485023392187,0.7705891521065811,0.8240668050407023,0.8859696076236474,0.9515126395952805,1.1857477723030958,1.1937159350324105,0.9656102231477671,0.9621871945273123,0.9456542711164746,0.9466432094435604,0.9905658621114872,0.9827537012789498,1.306771162406948,1.3805503425607173,0.9819889701378794,0.9962180510677874,0.9727457652435968,0.9640864467378308,1.0000856508940006,0.982344611771526,0.7862652969393498,0.37620085052325697,0.7963116702943135,0.7402529757130047,0.7607229590110322,0.8120582526274277,0.8953467623207589,0.9397508603730802,1.3430125747646815,1.4090338562958638,0.971131810218418,0.9914172593348703,0.9677951275364479,0.9587768385193923,0.9942103996241841,0.9761554236018787,1.3455249524884807,1.4010414693410926,0.9646593200348527,0.9856441527125503,0.9627113576112809,0.9545863950817965,0.9906365207549012,0.9735248305403198,0.7364975450081833,0.3861471126793902,0.823349444672974,0.7415888632643952,0.7724749658210116,0.8344879854188364,0.9153356465826243,0.9659471840643336,244.42582678229917,122.46291339114957,195.60364849126768,244.8758267822991,12.243791339114958,122.46291339114957,0.4999999999999716,0.053837077707176495,0.0026918538853588246,-5.843585744948593,389.9127136846922,19.49563568423461,11.931845806018734,244.43216808914923,122.46534962367323,195.60647695030679,244.88084613152677,12.244042306576336,122.46534962367323,0.49853115819725247,0.05387242253676994,0.002693621126838497,-5.842273146495084,390.58671899643883,19.52933594982194,11.935300032638596,250.10294497686365,124.65247801037367,198.15521349901886,249.38475491635893,12.46923774581795,124.65247801037367,-0.7979889561163134,0.08547018040391585,0.004273509020195793,-4.919175462157024,263.4444815812801,13.172224079064005,11.14768529939131,244.4388235351845,122.46790656781107,195.60944557981784,244.88611417557837,12.244305708778917,122.46790656781107,0.4969896004376295,0.05390951819485906,0.002695475909742953,-5.840896453542553,391.2991876807272,19.56495938403636,11.938944906528231,256.2293905806748,127.03240102599815,200.95133332650227,254.28126090486415,12.714063045243208,127.03240102599815,-2.1645885286785074,0.11970628837784486,0.005985314418892243,-4.245428266626356,205.56141178540787,10.278070589270394,10.651489660194349,245.0905683937619,122.71841838275914,195.9004141884384,245.40220992834264,12.270110496417129,122.71841838275914,0.3462683717563664,0.05754170244878065,0.0028770851224390326,-5.710490668147926,504.15388416431205,25.207694208215603,12.445763094383594,263.85077278983147,132.07629923809662,213.51927689979055,264.66460329595634,13.233230164797815,132.07629923809662,1.129453262786427,0.21044580658832496,0.010522290329416248,-3.117054219785374,162.53496078984816,8.126748039492409,10.181786243903858,0,11.996163377277338,15.998263803527717,-0.351393419822408,0.27875673619950714,3.7224845554712536,7.97931361021125,19.0,49.0,45.0,45.0,15.0,4.0,4.0,0.0,0.0,4.0,33.75420999999999,3.611165727195962,3.544417050163319,3.463888330520965,3.317340419014259,3.1502794839284385,2.914765818107928,2.719569531435065,2.477949654678081,1.9355336981790465,1.8820947325151032,1.7952781862011573,1.6859405863031154,1.5441424979721596,1.3951923854260397,1.2261509204620007,1.080425932257241,3.6301880541708886,3.543976430137256,3.454136359724711,3.301615036741302,3.138271613799286,2.904951884288414,2.733396729530913,2.479446912899436,1.8853356109185657,1.8331510122632309,1.7474633963218078,1.6362098181059608,1.496405613530492,1.3448519051922443,1.179902551408663,1.0223927306055516,3.722337178894179,3.6633049548445986,3.5775239542772272,3.4475776103524907,3.2941963750509196,3.0996681341981303,2.9240506162014324,2.715125898246151,1.7396622439481557,1.6729040797459485,1.5776970280470515,1.4397184146985575,1.2820741926928252,1.088265494047317,0.9205503623294892,0.7057469523502179,3.644935142668362,3.559525594339982,3.465573767056641,3.3117513994946006,3.1463774833948364,2.9169442618207975,2.749890442149097,2.4945433082872244,1.854621549135752,1.8044964896147235,1.7216860550064557,1.610171876097295,1.47119064499133,1.31455758307441,1.148025846111707,0.9806509552846662,3.7681474992052517,3.710197990625245,3.6209234382260056,3.4945313223848538,3.345082773216127,3.1645249044126076,2.995079580914767,2.799707539154499,1.6975745956014867,1.6250933490861217,1.5322149202682882,1.3897921031133549,1.230863806915904,1.024097435103406,0.8557376562189106,0.6276900733703422,4.9287324710953175,3.8987989349209404,3.731363067669698,3.5925564690703897,3.43442629451746,3.307593492055574,3.0647952350886065,2.920532299193351,1.849528466136276,1.7284462544916017,1.6465062505891026,1.5210858620440522,1.3483102419719244,1.1903041213123768,0.9538258014782764,0.790551855629945,0,0,1,6,0,1,10,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.06454972243679027,0.0,0.0,0.0,0.2886751345948129,0.20412414523193154,0.14433756729740646,0.04564354645876384,0.03227486121839514,0.02282177322938192,14.891058768174391,9.770055610029663,7.132269453018,4.385027805014831,2.923906201320913,1.9425139025074156,1.2851764053638195,0.8462569512537077,0.7445529384087195,0.514213453159456,0.37538260279042107,0.25794281205969594,0.18274413758255706,0.12950092683382772,0.09179831466884425,0.06509668855797751,12.890631312967056,7.9378808575449105,4.994047004412524,3.0414662930335234,1.8952973251258398,1.1560940270631213,0.7021903621669767,0.4247643075128477,0.6445315656483528,0.4177832030286795,0.2628445791796065,0.17890978194314844,0.11845608282036499,0.07707293513754142,0.050156454440498335,0.032674177500988284,27.55701526562178,48.97887836853611,46.5803921568627,47.20000000000003,30.93879640718567,381.9609520958084,0.5511403053124355,0.9795775673707222,0.931607843137254,0.9440000000000006,0.6187759281437134,7.639219041916168,5.439070000000006,86.08980000000007,136.49642129976056,217.1611856215964,272.99284259952117,13.649642129976055,136.49642129976056,0.028600361469098723,0.001430018073454936,-7.108671844913046,170.27343308966326,8.513671654483163,10.274811149702758,521,1.0,0.0,2.0,7.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,9.0,5.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,10.0,0.0,6.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7057770641152581,0.0,18.81387890169239,12.613354721396782,7.280007264457477,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7057770641152581,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.901338784078328,0.0,0.0,3.066445624104902,2.0175714518643844,0.0,1.901338784078328,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.147930063607376,0.0,10.091502979970116,0.0,13.288194726637178,0.0,0.0,0.0,0.0,-0.6748400052403956,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.498996717778573,10.314882183913818,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7057770641152581,0.0,8.498996717778573,-0.6748400052403956,7.280007264457477,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7057770641152581,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2953358449861426,0.0,0.0,0.2680399747105162,0.3220243883228673,0.0,0.2953358449861426,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.147930063607376,0.0,0.3191290826522546,0.0,2.191113774911063,0.0,0.0,0.0,0.0,-0.6748400052403956,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.498996717778573,10.314882183913818,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7057770641152581,0.0,10.314882183913818,2.2534435363651633,7.280007264457477,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7057770641152581,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3263649673789014,0.0,0.0,0.5256815178818697,0.5256815178818697,0.0,0.3263649673789014,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.147930063607376,0.0,1.2148050516502897,0.0,2.2534435363651633,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.498996717778573,10.314882183913818,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,43.66666666666667,2.1833333333333336,0.7057770641152581,10.314882183913818,0.2680399747105162,-0.6748400052403956,9.607857188021288,2.3415066719070623,3.3148821839138187,14.500007383873893,2.3415066719070623,3.3148821839138187,14.500007383873893,9.66666,0.48333,0.0,0.01667,0.49067,0.77667,0.42903,0.47024,0.75397,0.06163,0.02043,-0.04121,0.0227,0.62232,0.09197,0.0,0.12069,0.05172,0.0,14.5,0.725,10.0,0.5,4.5,0.225,-5.5,-0.275,0.0,0.0,20.21599,1.0108,28.06635,7.85037,0.39252,7.24315,0.36216,9.77005,2.5269,0.12634,0.14395,0.0072,0.14395,0.0072,0.0,19.02,2,2,2,2,1,1,0.6111111111111112,1.1585488318903814,2.5753361302834152,3.728884070537635,4.438562939644915,4.788758439731456,4.853660689688184,57.92744159451907,128.76680651417075,186.44420352688175,221.92814698224575,239.4379219865728,242.68303448440923,0.20527610784792608,0.4563078936967404,0.6606979244604874,0.7864415375583979,0.8484905140580133,0.8599901426407393,4.485307357884343,3.068520059491309,1.9149721192370892,1.2052932501298095,0.8550977500432682,0.7901955000865399,0.20226342894957855,0.4496110151515373,0.6510013712859762,0.7748995424873426,0.8360378740798414,0.8473687314951226,9.784145488230305,20.865613749327498,25.352093446256916,28.431717678923437,29.224340468724407,28.684106472045176,73.54389325881172,47.12141421556452,34.31748474697859,25.52488265968041,22.9937079656069,23.90222819796497,20.0,17.05263157894737,19.058823529411764,20,3,18,3.2199999999999998,2.5901999999999994,0.0,2.352779665665871,0.058823529411764705,0.0,27.408212328519852,2.352779665665871,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.591,0.477,0.474,0.8080000000000002,0.56,9.677000000000001,19.0,17.0,16.0,15.0,14.0,13.0,12.0,11.0,10.0,166.0,3.1780538303479458,3.332204510175204,3.332204510175204,3.4339872044851463,3.5263605246161616,3.6109179126442243,3.6888794541139363,3.7612001156935624,3.828641396489095,3.8501476017100584,5.910796644040527,2.216867469879518,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,0.6842105263157895,15.0,0.7894736842105263,2,9.0,18.0,1.0,1.5,0.44444444444444464,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.07894736842105263,0.023391812865497085,0.014705882352941176,0.010000000000000002,0.0074074074074074086,0.0058309037900874635,0.004807692307692308,0.004115226337448559,0.0036363636363636372,0.003305785123966942,0.17877229068511244,136.49642129976056,217.1611856215964,272.99284259952117,13.649642129976055,136.49642129976056,0.028600361469098723,0.001430018073454936,-7.108671844913046,170.27343308966326,8.513671654483163,10.274811149702758,37.3,326.9188005643235,5.321928094887363,4.343805421853684,5.003946305945459,5.6937321388027,6.364750756851911,7.057036981697891,7.732369222284388,8.4252971767117,9.10286651367095,9.795958019593462,102.51976253741213,3.6635616461296463,0.0,4.74493212836325,0.0,5.942799375126701,0.0,7.193685818395112,0.0,8.47407690034261,8.805525052709516,278.2245802000006,5.564491604000012,38.66155413230578,1.933077706615289,4.764172033029732,4.764172033029732,0.0,1313.0,17.0,7.537999999999999,76.0,1.2343720790481372,2.1631002270430137,2.925777795542328,3.7022406631549782,5.040501304854305,6.054416266039296,7.407871561754958,8.502387390418752,9.802808388452146,10.971248238624526,92.41479408631172,99.31764136083876,97.46393467977485,132.76984796484112,162.97376063059787,198.460944810594,241.2598129405772,272.3052946944706,307.71299920261646,352.2124483300195,309.57171064071105,379.2113523733657,400.99609788775916,546.8725626789044,682.2807784493826,829.0238465616271,1005.6721180028165,1138.4304214643782,1279.7866522705717,1459.8829935215888,9.203183617906747,15.802554770042867,21.049712589440755,26.741059461152098,36.24530405139612,43.64731303317925,53.515766299114766,61.481510433286694,70.94726304244783,78.99001154433974,2.2360439474694442,2.993636162837868,3.289423033951946,4.450925781177276,5.639278081926458,6.835588497641696,8.288298300093176,9.40493807247025,10.586499212806123,12.096913418480009,176.12624516669638,328.4439400729109,473.32799963287897,586.516114071787,813.5228857939378,973.8950810921586,1194.142387183339,1372.9888800880824,1592.762572136485,1769.9965189922345,3.2270624342399055,5.497484459725029,5.886206046296368,7.51414415742689,10.03233624691187,12.41472582412473,15.279603480885278,17.82079395139873,21.601597252524723,23.17170597003014,0.4739283627164723,0.6468514350901331,0.7188684013280077,0.9684019799757821,1.2343211352285774,1.4992678260057017,1.8249428064288054,2.0781162198719363,2.3517942232304754,2.670251390397124,596.6252931805344,913.719505918723,25.693317357345254,223.22517059619886,-341.86481015323494,-33.85113500193549,373.4001225843356,1255.584316071958,59.54445235928074,0.7277245297052258,1.1144953211462145,0.0313390288748342,0.27227547029477434,-0.41698434685076147,-0.04128940154036925,489.1435233149905,749.1133606893126,21.064678151382292,183.01125963993402,-280.2780231530745,-27.752868730705615,0.16902022762967564,0.2164714061235463,1.1481389773148574,8.223923075196598,707.2770624535646,112.57340132316864,0.8626903242762265,0.13730967572377362,1356.0914751935552,36.82514732073118,11.068692657235784,1663.3009606024082,40.783586902115516,11.848324665034081,2326.354636336348,48.23229868393531,13.250287662127981,5.120236427480181,5.120236427480181,14025.93420866368,13924.072580816717,136.69036663947554,1.0073155053778806,102.61099266532405,101.86579290947275,8.216019876294657,12.044043567257633,23.209274873205324,0.9270334538062416,12.765861030554753,13.961656056517294,8.507033157854819,48.415107835009266,27.483318088873244,0.748998550464073,14.80174207980432,11.75856947352295,47.40235265503067,0.5019115431413859,1.0603996975216683,31.440596313332566,3.5421323225559758,51.009163002476356,0.010935657209637694,0.6322698542607178,24.837137865512876,0.7470558392039848,44.561730724314536,5.2535040236458944E-5,0.5726307219901808,16.548654943063674,0.8417466119011822,40.62441971777845,7.535517875575462E-5,1.2667895273557517,8.408187178937679,2.082646314831113,28.709300841453107,9.555180580213392E-5,1.1058509556050056,13.988985048332498,0.7116820019492658,17.439469900917665,0.3162530432625274,0.08206975390329409,2.6747738122405553,0.11190379968080501,15.334219932556644,0.003547827128713313,0.11735533763873071,3.4287636251052107,0.07433416613034746,13.48028702380516,7.796272412290808E-5,0.1685905338163934,2.040595418774578,0.04803525878021864,10.818105624880017,1.7189099095044454E-6,0.3404900226100165,0.5253444123862893,0.06925406908690117,7.3481029099425355,6.305064352230225E-6,0.45497195913110916,0.15587991759954115,0.08491082776543851,4.909177996658999,7.920291155002777E-6,3.389038318864877,13.923439736128786,2.289779162624016,19.274566443604208,2.1781664264777194,0.2078985229235676,4.959131595179593,0.9196066090957844,18.58850236508135,0.03687013114277883,0.2457076752507474,8.050048957016887,0.35446358080255025,18.31424381121958,8.05032589768965E-4,0.19938144738635466,4.425111874194648,0.1647046922671934,15.116262314391882,7.3212773765085075E-6,0.33759488273474,2.1559674675267475,0.22447252986273308,11.628645413013105,2.036598322050587E-5,0.46946579468892163,0.8457509466006153,0.33330233954385213,7.899363676561348,2.563270781080805E-5,12.34501180903904,13.996161619916425,8.027645019083538,45.478030924915586,24.85829737855528,0.7098580077756952,14.654308563782234,10.497788400741955,45.603964025340886,0.44720297144368315,0.9903210573026807,29.813585391018506,3.253726999039358,49.738439811703806,0.009744121956482051,0.5949332058736583,23.076532156473785,0.6951012204172428,43.082099749132496,4.773656737575964E-5,0.5908081724264146,15.082675200649108,0.7935839328131098,38.832231481744216,7.111613548839665E-5,1.2133755082944249,7.579496664302231,1.903992528137898,27.22269797485812,9.012514266221068E-5,4.90320107979225,13.899035012575808,3.3775571753847693,21.876264845213342,4.463931048476707,0.2976107005279373,6.416134916641015,1.9391243129932572,21.615570142896473,0.08005550827018394,0.3533952115360046,11.547717734537372,0.654695726274472,22.180725826165567,0.0017463225663814828,0.24015178121769346,6.7408507886580304,0.2525084218696203,18.700491544164123,1.258352078030944E-5,0.34609165520361374,3.7405839263671434,0.33175663984399995,15.157076592389814,3.0028346053933147E-5,0.5261585426173865,1.6077772182416334,0.5511331125502991,10.448200176231703,3.784370065298766E-5,15.65359154444431,13.987874963422064,10.29362547496898,62.504039075666114,40.03114981623412,0.9108779578832531,18.0473891392685,17.082265854637278,59.867126552459915,0.7319494211544341,1.370501492959132,39.17506438669063,5.07958603935835,63.738572100783436,0.015945560422063305,0.8290907807550809,33.40730649825916,0.9500379960124512,55.775787581910045,7.221781657567996E-5,0.6819876494827958,22.99989159646704,1.0210620490179108,52.086710486024415,9.106425694019162E-5,1.6486101469938055,11.986631535827762,2.808271796831281,36.94514150627326,1.1571460790460442E-4,8.761918312044793,13.132200809417887,5.33268698461553,31.073331497633752,11.575002708101435,0.53612490444565,12.451702515130071,4.186140852199908,34.80337519705431,0.17295858309911027,0.5565836067040826,19.844220013006133,1.7893231425786527,40.99240615292193,0.003770468050967736,0.43058210111838174,13.884123246084352,0.3534379758683228,35.51254317787616,2.3977662037721052E-5,0.7347715379423776,7.170149991272724,0.5737701858140427,28.319881984846504,3.890536205978347E-5,0.941289427807382,3.293931803270128,0.8750346904646291,19.348350851380445,4.9157871118686493E-5,47.75635637228162,0.913010724168417,0.34558318592594117,0.9743222444816617,0.01862718862119713,0.5598903627117261,0.6298226951832635,0.43996473902620353,49.01495028237598,60.421380453292215,124.5044714493287,0.9614833667224927,1.629677796921193,50.638434473176105,0.4377352074835743,0.06255438483667114,0.9902170106614412,0.008559760054297429,0.6299414545485416,0.13872910459138943,0.01441544908540203,51.138724065496355,25.361263994946224,77.88658266830002,0.9853255159921619,0.783086008225333,47.03885483060305,0.5801062876059631,0.16987197017309524,0.9843064119939479,0.01213895067354118,0.5432330922541709,0.2545462898090322,0.10630559194388245,47.78883308838211,35.376662191763145,87.80088268803794,0.9764596179909217,0.9040849740070855,48.67739422321013,0.9075700070376262,0.33300306997179463,0.975147764540405,0.018181229247161965,0.5816969235534135,0.6240656188289742,0.4085160629358035,49.91796730021955,60.69008833084625,125.31951288162361,0.9627216468106076,1.6142786053181912,46.01120912085003,0.6585225822798275,0.22299429638468865,0.9812014153608036,0.014043171264699875,0.5197182219011311,0.328436758643816,0.18318932949893194,46.89272599951455,40.70650422768095,94.35582812538796,0.9718021230412054,1.031344310043879,48.15523585390788,0.961684312826461,0.3683633001860052,0.9731223604306203,0.019433743639547352,0.569282814186901,0.6985383347579844,0.4998795539236272,49.48528346692035,64.40300570875237,130.94724329992368,0.9596835406459305,1.7677007028685126,48.718546241853744,0.910921792566526,0.3333753438434314,0.9750955499672125,0.018231984630458838,0.5826828834731276,0.6287963408775931,0.4094299575909818,49.9628433782637,60.92402644460605,125.68166268957324,0.9626433249508187,1.6209091819417023 +UMLCN0174,L,butyl linoleate,CCCCCC=CCC=CCCCCCCCC(=O)OCCCC,Esters,Olefins,C22H40O2,NREL (2014),Other Ignition Delay Method,PubChem,,54,0,-1.312900000000001,1.7237064100000028,90.8727,66.99571999999995,0,0,64,24,40,0,22,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3726.3892239999973,3946.0579070000044,4498.779931000009,4328.3001180000265,4158.717053000027,3919.0964240000003,3731.4459670000015,3397.005633000001,3172.103528000001,10993.503169651207,13967.99119603481,18249.222689406888,18950.44783643958,17952.258030580757,17064.607843985068,16292.200455713379,15471.063577281315,14581.630912267754,461.33334399999956,465.61725200000035,859.2227560000008,1145.8741680000028,1068.3392840000026,1012.0330160000028,936.1673800000025,907.509588000002,877.0765280000022,80.4267241939598,104.3377923999999,148.23192129382915,161.60454409603452,151.42948668439334,143.72335440584615,137.33140442390297,131.7351622902048,125.77977702160067,10557.08448655496,9120.819015561,18333.036717987794,26317.43056610863,24284.25570434111,22995.73095798503,21172.08275534975,20554.171495779512,20152.12727455936,161.77777777777777,141.0,240.83333333333331,283.16666666666663,279.66666666666663,266.5,251.8333333333333,237.58333333333331,213.16666666666666,58.22483162499996,62.63583979365087,38.12525365254245,27.051875737500165,28.09943954729748,27.993545885714287,28.70343051538463,26.960362166666677,25.78945957723578,171.7734870258001,221.71414596880652,154.6544295712448,118.44029897774737,121.29904074716728,121.89005602846477,125.32461889010291,122.78621886731202,118.549844815185,7.208333499999993,7.3907500317460375,7.281548779661024,7.161713550000018,7.218508675675693,7.228807257142877,7.201287538461558,7.202457047619064,7.130703479674815,1.2566675655306219,1.6561554349206333,1.2562027228290606,1.0100284006002158,1.023172207326982,1.0265953886131869,1.0563954186454074,1.0455171610333716,1.0225998131837453,164.95444510242126,144.77490500890474,155.3647179490491,164.48394103817893,164.0828088131156,164.2552211284645,162.86217504115194,163.1283452045993,163.83843312649887,2.5277777777777777,2.238095238095238,2.040960451977401,1.7697916666666664,1.8896396396396393,1.9035714285714285,1.9371794871794867,1.8855820105820105,1.7330623306233062,0.3551887881799821,-0.16383405964148953,0.005908902012389356,-0.00662715247869048,-0.006055420402975757,-0.014842811860129798,0.021748700602848794,-0.016492345678663825,-0.01629433965094095,1956.504324,-18.66490706249533,-579.2347196249941,135.03597300000072,-49.676515749999226,-78.54747974999987,-142.36226237499932,-313.56573762499943,-63.814382312500356,3223.4944737311635,-147.53083311289504,-1308.6769560407424,186.72065281572972,-3.366513085835667,112.56969725250893,-177.999291170206,-332.019332091196,-88.50803341576761,2.302718999999991,0.0570234843749862,0.8053583437499888,-0.05266949999999733,-0.2687456875000056,-0.412054312500007,-0.22228796875000278,-0.3861690312500029,-0.09142707812499457,14.379164082735011,-0.9956695367378672,-5.97648199565238,0.5621579063490039,0.100258586965815,1.0909591735719353,-0.642226661759965,-0.8709238407870292,-0.35033489041595234,78.99233223970354,-5.9754747168491615,-32.238130700417805,2.531037525589732,0.6224335069881157,6.775124680493476,-3.3112905383403763,-3.8011170425380945,-1.8612013980808777,44.4166666666667,0.5898437499999976,9.440104166666675,-1.6597222222222128,-5.498263888888863,-7.6059027777777395,-4.047743055555545,-10.059895833333298,-2.73828125,0.005549824815312221,-0.0026005406292299925,5.0075440782960645E-5,-4.14197029918155E-5,-4.0915002722809165E-5,-1.0602008471521285E-4,1.672976969449907E-4,-1.3089163237034782E-4,-1.3247430610521097E-4,30.5703800625,-0.2962683660713545,-4.908768810381306,0.8439748312500045,-0.3356521334459407,-0.5610534267857133,-1.095094325961533,-2.488616965277773,-0.5188161163617915,50.36710115204943,-2.341759255760239,-11.090482678311377,1.1670040800983108,-0.02274671003943018,0.8040692660893495,-1.3692253166938924,-2.6350740642158414,-0.7195775074452652,0.03597998437499986,9.051346726188286E-4,0.006825070709745668,-3.291843749999833E-4,-0.0018158492398649027,-0.0029432450892857643,-0.0017099074519230984,-0.0030648335813492295,-7.433095782519883E-4,0.22467443879273455,-0.015804278360918526,-0.05064815250552864,0.003513486914681274,6.774228849041554E-4,0.007792565525513824,-0.004940205090461269,-0.006912093974500232,-0.0028482511415931083,1.2342551912453679,-0.09484880502935177,-0.2732044974611678,0.015818984534935826,0.004205631803973755,0.04839374771781054,-0.025471465679541356,-0.030167595575699164,-0.015131718683584372,0.6940104166666672,0.009362599206349168,0.08000088276836165,-0.01037326388888883,-0.03715043168168151,-0.05432787698412671,-0.03113648504273496,-0.07984044312169285,-0.02226244918699187,-0.46858066979969926,0.00902288674856911,-0.007463245123978805,-0.0073723052680731115,-0.019103320959374896,0.030144680690354173,-0.023584822354970884,-0.023869997795193155,-0.009691353704652832,-0.16057271124354724,0.027607600217090186,-0.010979651962445755,-0.01835284434274813,-0.0358220710283174,-0.08140615066577153,-0.016971202690352273,-0.04649382637072718,-0.22019299154881194,0.02316996716915136,-4.5161840803110466E-4,0.01596417597395581,-0.02718491406842021,-0.052317365977863524,-0.014286657182691278,0.025156616611755608,0.18969076358154188,-0.009149097219417139,-0.050468316521188314,-0.0818022892564354,-0.04752385198675076,-0.08518162624547393,-0.0206589744593793,-0.07034301919631455,-0.22542908208731435,0.015638124806545157,0.0030151310872043075,0.034683809904617495,-0.021988282765974462,-0.030764932636047394,-0.01267723714766085,-0.07684699704090285,-0.2213517102451913,0.012816623861208487,0.0034074248452058424,0.039208867064987656,-0.020637114480223945,-0.02444194344061049,-0.012259797480224826,0.013490574466184157,0.11527331700957166,-0.014946841776109972,-0.05353007792032153,-0.0782810685249705,-0.04486457882330287,-0.11504213943238285,-0.03207797556399577,1.5490204698207943,1.0391600105096463,1.0425869641013694,1.1876873356066628,1.2574188579572017,1.0946245050820806,1.0269092696433286,0.8816179245058224,1.2497679488900542,1.257165396860467,0.9461202581144927,1.0190465806704705,1.031679435557435,1.0425364734097295,1.0868467377841589,0.9775657654252041,1.4128211845066543,1.3647194746960356,0.9464727675203922,0.9747753580229175,0.9553274124013751,1.0269187911387916,1.0458596133841946,0.9978222171438538,0.7430415956093668,0.7461846007381386,0.9943422970844507,1.274687281262556,1.3655834689339044,1.1170857515030683,1.1829111585043637,0.8275494127149547,1.478432374417725,1.3879077848143626,0.9522209513990212,0.9703815823771553,0.9355878731755035,1.0235915618108633,1.025807175348568,0.9960758689350041,1.4897234709520646,1.3865652052601487,0.9546983796680558,0.9731879813015142,0.9351065670799122,1.0238039693436216,1.021411430885443,0.9931480552578659,0.6172607879924948,0.5736318249753549,0.8768878986866784,1.273832462856852,1.3609756097560963,1.3447395006494434,1.446060037523451,0.8418066169404652,352.6133269012523,176.55666345062588,280.7257893850762,353.07166023458507,14.711319176441043,176.55666345062588,0.49999999999946,0.051999344579685025,0.002166639357486876,-7.09565799532073,215.71439154385644,8.988099647660684,12.89749265125007,352.6395243695851,176.5690277638913,280.74222010817226,353.0965112645995,14.712354636024976,176.5690277638913,0.4985311581975225,0.0518616199080949,0.002160900829503954,-7.10202303163995,215.71059209592616,8.987941337330257,12.897450378895067,376.01396425327096,187.60798764857736,295.74173348891577,375.28247437683103,15.636769765701295,187.60798764857736,-0.7979889561161997,0.06993788249058969,0.0029140784371079038,-6.384354777337442,256.93596679389276,10.705665283078865,13.317184553775839,352.66701950947817,176.58200455495796,280.7594656144396,353.12259330987945,14.713441387911644,176.58200455495796,0.4969896004377574,0.05171707553952648,0.00215487814748027,-7.108721449847617,215.7066872679109,8.987778636162954,12.897406933313794,401.1128858338936,199.47414865260754,312.6204730221448,399.128679682605,16.630361653441874,199.47414865260754,-2.1645885286785074,0.1969777787700991,0.00820740744875413,-3.8991944513463834,243.549555817417,10.147898159059041,13.188769047520635,355.3589424826083,177.85260542718243,282.4523666918878,355.6763551567184,14.819848131529938,177.85260542718243,0.34626837175656533,0.037577484112608306,0.0015657285046920127,-7.875240563392789,215.73215412771026,8.98883975532126,12.897690266466608,368.4786404829525,184.35871633653912,295.14262571561096,369.2240369745873,15.384334873941139,184.35871633653912,0.9378787878787023,0.009987532044572478,4.1614716852385325E-4,-11.055402622624943,230.61230704949514,9.608846127062298,13.057771142631431,0,11.890000000000002,15.995925717758162,-0.31569961783801737,0.26153171318180946,4.311925465604169,7.959376018784563,23.0,63.0,60.0,60.0,20.0,3.0,3.0,0.0,0.0,3.0,46.602279999999986,3.6055059391036797,3.5694891798894153,3.4630124798574204,3.363021520931777,3.273105945126324,3.1530049516132084,2.939378357825532,2.7605046895820244,1.9390005828432761,1.8979801640008578,1.8263570458418328,1.7985634184148027,1.6942307602844118,1.5614913801944243,1.435200572226168,1.3747538849793777,3.621740199971576,3.5386564302224643,3.456384106268374,3.3816814001927558,3.2863093501293372,3.1467508919197402,2.933680934621028,2.7838886362570365,1.8886371187035138,1.845911878031007,1.7859985791292379,1.7374238461928364,1.6393306293268974,1.5111676017372568,1.3878442555210826,1.2941489477342367,3.721214105203144,3.6744005425030806,3.6003679323047155,3.5234032763344385,3.430809393626986,3.3032545262353965,3.1305312198590474,2.9908916086977295,1.7375208931366866,1.671653602353841,1.590295633140223,1.5428259500726103,1.4406834854003014,1.2950505250883644,1.1207970637132088,1.0110978721567196,3.6372445212000972,3.551598843620514,3.4652855090614145,3.400054981338319,3.303873339880901,3.156692528625565,2.9452902355237485,2.807941069878974,1.8588401256738905,1.8190948626587293,1.7623169090283752,1.6982210666795485,1.606194684277825,1.4832543619160343,1.3527923818546042,1.2418140855064115,3.7681659070930005,3.7162771958476872,3.647952658226535,3.5860540307035995,3.4890668587073863,3.356762993147874,3.1995211501243577,3.078861769050016,1.6932708209986955,1.6227184061705073,1.5430578489335374,1.4832698495882217,1.3842956556657875,1.242221956022301,1.0556386550709043,0.9279589792757459,4.963492510449774,3.7386970725110045,3.550807899792415,3.4988647798690065,3.4348687814995538,3.3373013792769677,3.147229219294801,3.0718406022780953,1.821430149887545,1.7669381014513459,1.6648655314090681,1.6368035445235691,1.5131886914858166,1.3464833689012348,1.2012710729626384,1.1054349134359682,0,0,1,4,0,3,14,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.08333333333333333,0.08838834764831845,0.08333333333333333,17.71948589292058,11.808060412490448,8.339376234204547,5.6009536313038994,3.751256470510539,2.495099760268685,1.718189107256039,1.0503810964856393,0.7383119122050242,0.5133939309778456,0.3625815754001977,0.2545888014229045,0.17863126050050188,0.12475498801343425,0.09043100564505469,0.06178712332268466,16.232499375484448,10.264350206547164,6.55475887637088,4.092475383449771,2.4832754033450586,1.5221019432321465,0.958159112968868,0.5802985840137513,0.6763541406451853,0.4462760959368332,0.2849895163639513,0.18602160833862594,0.11825120968309803,0.07610509716160732,0.050429426998361476,0.03413521082433831,34.26615428455116,62.418062636562375,59.207843137254805,60.00000000000007,38.931568862275505,490.3595329341318,0.5354086606961119,0.9752822286962871,0.9251225490196063,0.9375000000000011,0.6083057634730548,7.661867702095809,6.995580000000008,104.68500000000007,192.06795082598492,304.4507914202721,384.1359016519699,16.00566256883208,192.06795082598492,0.07599339997826465,0.003166391665761027,-6.185061083659392,276.2210321165996,11.509209671524983,13.49088332692145,761,0.0,0.0,2.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,16.0,4.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,15.0,0.0,4.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.56287806584882,9.164329646703685,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.148460346217279,0.0,0.0,5.263130678669006,1.5789455502510157,0.0,1.148460346217279,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.350609136004984,0.0,16.58884981810918,0.0,9.183651712129265,0.0,0.0,0.0,0.0,-0.01932206542558057,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.414911784602133,5.147966281246688,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.147966281246688,-0.01932206542558057,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.27923785914862664,0.0,0.0,0.22463719693273843,0.31849773242630386,0.0,0.27923785914862664,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1055314643865066,0.0,0.5914760214277648,0.0,2.280385483685725,0.0,0.0,0.0,0.0,-0.01932206542558057,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.414911784602133,5.147966281246688,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.414911784602133,2.312758447076106,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.29487969974473055,0.0,0.0,0.5620916259065609,0.5232948965666768,0.0,0.29487969974473055,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2450776716184766,0.0,1.3474414772036265,0.0,2.312758447076106,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.414911784602133,5.147966281246688,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,46.66666666666667,1.9444444444444446,0.5620916259065609,11.414911784602133,0.040324338601032794,-0.01932206542558057,12.449435649703977,1.6859887320922473,4.4149117846021335,15.194277827966138,1.6859887320922473,4.4149117846021335,15.194277827966138,11.66666,0.48611,0.0,0.01389,0.47396,0.76389,0.42973,0.46373,0.76389,0.04423,0.01023,-0.034,0.0,0.63636,0.07793,0.0,0.11429,0.04286,0.0,15.75,0.65625,12.25,0.51042,3.5,0.14583,-8.75,-0.36458,0.0,0.0,28.34279,1.18095,35.87415,7.53137,0.31381,9.6647,0.4027,11.80805,2.14335,0.08931,0.10595,0.00441,0.10595,0.00441,0.0,23.02,2,2,2,2,0,0,0.7727272727272727,1.1096153217888278,2.2173208046412447,3.621671884241178,4.472274413893479,4.84375,5.132659765557392,71.01538059448498,141.90853149703966,231.7870005914354,286.22556248918266,310.0,328.4902249956731,0.18493588696480465,0.36955346744020745,0.6036119807068631,0.7453790689822465,0.8072916666666666,0.8554432942595653,4.890384678211172,3.7826791953587553,2.378328115758822,1.5277255861065209,1.15625,0.867340234442608,0.18357759270446142,0.3668392167777089,0.5991786459857087,0.7399045008613969,0.8013623705454388,0.84916034001141,9.281161132163929,19.476416993296432,25.22323761436422,27.454518007030334,29.332576264750003,29.280241290717996,89.35508793214859,57.70363072124068,39.36755448365921,30.379605076705225,25.25,23.804229296672176,24.0,21.043478260869566,21.0,24,3,18,3.6599999999999997,3.1967999999999974,0.045454545454545456,4.386859157067171,0.21693045781865616,0.0,31.312221175313205,3.1990841363812454,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.468,0.454,0.758,0.352,11.222,23.0,22.0,21.0,20.0,19.0,17.0,16.0,15.0,14.0,214.0,3.295836866004329,3.4011973816621555,3.4339872044851463,3.4965075614664802,3.5553480614894135,3.6109179126442243,3.58351893845611,3.6109179126442243,3.6375861597263857,3.6635616461296463,5.8805329864007,1.6682242990654206,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.0,0.782608695652174,20.0,0.8695652173913043,2,11.0,22.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.16666666666666669,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.06521739130434782,0.028985507246376826,0.017045454545454544,0.011428571428571434,0.008333333333333335,0.004296455424274973,0.003676470588235294,0.003086419753086419,0.002666666666666667,0.0023612750885478157,0.16582082533251785,192.06795082598492,304.4507914202721,384.1359016519699,16.00566256883208,192.06795082598492,0.07599339997826465,0.003166391665761027,-6.185061083659392,276.2210321165996,11.509209671524983,13.49088332692145,26.3,398.7391977685914,5.584962500721157,4.532599493153256,5.209486152841421,5.905361848054571,6.594413459749778,7.29641326877392,7.990576881743923,8.696008608880904,9.393078508655353,10.10082086695052,112.71875908880364,3.8501476017100584,0.0,4.9344739331306915,0.0,6.1463292576688975,0.0,7.418780882750794,0.0,8.726967774991493,9.048644632975885,336.3028305200011,5.2547317268750176,46.6490781961618,1.9437115915067418,5.452198496865541,5.452198496865541,0.0,2215.0,22.0,9.536000000000003,92.0,1.2357340776053714,2.1471310181316805,2.903565961701896,3.6991917177971767,5.024975248829777,6.061101922214035,7.369895414439171,8.463518559370796,9.75927555070833,10.911668976777708,89.40668061260179,91.44129156592905,94.05099978752892,130.93071392245872,163.94908448479163,203.09808901140798,224.57246060587696,246.88451413994852,275.0262747470013,306.46184894135536,300.8267457106916,356.2122136717743,381.0050612032216,526.3772902603102,675.437819710789,844.1793141546574,976.7926740618897,1087.340835721706,1214.972364298051,1361.2644082274269,9.183517594911708,15.709318907440782,20.87151079951031,26.920766107436453,36.48110172511448,43.84277874165234,53.23965743997235,60.58461886367648,69.79904361199922,77.67403938977259,2.1881254826400047,2.836479244941184,3.1387170858976225,4.267220847565302,5.533234272162878,6.931114897124906,8.142563542886808,9.177925987864723,10.306627280761997,11.602169808319323,176.69819484360968,330.0041822003483,473.33846416847217,591.9182639205302,815.5737483239578,971.0921615440209,1190.0688803764613,1370.7370066412416,1590.7746176312835,1772.9273907096706,2.8628127948775175,4.543044097762662,5.294890695426623,7.3533635127517325,9.84273588388013,12.09724304878623,14.172308074265812,15.080912809864113,17.60818801703506,18.933677133253113,0.465480099326418,0.6180961226636541,0.6923726806866728,0.9447366905952304,1.2258826746017693,1.523531579467957,1.7905589073844324,2.0074974249578093,2.261884173989788,2.5339657066659225,786.7395580106842,1288.5635726013445,25.560985858497105,166.82868190697178,-273.2408205251345,-20.850815963588246,619.9108761037123,1561.804393126479,46.41180182208535,0.8250479882578954,1.3513071415975606,0.026805617876602506,0.17495201174210465,-0.28654563888236234,-0.021866097349665076,750.2098556058427,1228.7332979474706,24.374144295647177,159.08253257381358,-260.5537683018086,-19.882675879245806,0.15962942377987516,0.19269704822778078,0.8735026393338035,2.4365801611349442,903.0995684103636,50.46867150729231,0.9470738753718869,0.05292612462811311,1609.3587027460253,40.11681321772737,11.71883081215248,2009.2464515328588,44.824618810792565,12.618596985076534,2866.9656958579717,53.54405378618593,14.20607703894466,6.30567187683856,6.30567187683856,23097.712243741462,22985.42409393732,165.9785365681273,1.0048851893854662,139.16083802956538,138.48431591938248,9.118712857227013,14.556455022429054,29.071856887890736,0.997179728381387,16.05030177102239,18.25643737061197,9.11656557158011,72.81141237125875,35.74694995326638,1.8333890329113642,20.886819658923866,14.77882330522468,60.04375757291222,0.6804062143359677,2.068287253056423,41.87576660754495,4.304379838902752,66.81925952028055,0.01884310339539926,1.7522726093871257,33.02603849179557,2.1402411215299995,64.26689565460283,2.2973901477562865E-4,1.9945001095372696,24.799420811812777,2.8561969345928495,60.53568420928986,2.0173152086235699E-4,3.70942191650002,12.796537371034416,3.741043507026937,45.85815731528167,2.41530973813955E-4,1.3543636283563427,18.529874754354505,0.7863182115168021,20.471671635740787,0.3185507665372886,0.23864939694444665,3.605941319072012,0.23999020180016897,18.570858052664363,0.004808857706279683,0.518742792355333,5.236720188144406,0.15172355815305877,15.048153038691572,2.0597874816197158E-4,0.6397232612252043,2.4265447918473195,0.11093495132081442,12.486248677166037,1.3189956663974122E-5,0.8400118738425181,0.6596190970429636,0.141673676252103,9.02735299420549,1.6838282321099337E-5,1.6017357648926012,0.19695979729859894,0.1574019518707819,6.34183244599564,1.988970300874512E-5,4.3508799108716305,17.99480751391298,2.363647336036644,23.29133424842456,2.7177594597351367,0.5571282756073994,6.788694711260787,1.2478208765192442,22.6847481713118,0.049980292085280105,0.6953651534343367,10.601568518180144,0.5778583573785886,22.12233475854397,0.0015712041780055266,0.7227594000882639,5.680263876260454,0.40332155120911334,19.187566246221497,4.659180719536714E-5,0.9105587485465979,2.945969725713949,0.5218780413474559,15.688309002019794,5.441639035912624E-5,1.8155911008688392,1.1926895862520934,0.6107991034689482,11.373832381196886,6.44569878420946E-5,15.15245581158129,18.541979545482857,8.93439244875583,68.08935860524163,32.02706594394665,1.7384559711965883,20.721371767162132,13.579656167040087,58.866130317044394,0.6062413886280387,2.016336741096561,39.836978136105685,4.016934120450073,64.4248533918625,0.016839312179024943,1.6466061844214896,30.549711345971033,1.972950658199716,61.217781162711496,2.1266122500366124E-4,1.914222404500717,22.47093253901554,2.628500552804013,57.16944399287891,1.9035502778977874E-4,3.55659473932768,11.49759154912976,3.423330560903956,43.00378954492383,2.2772366551190837E-4,6.409009075333277,17.79238576800082,3.388934230337803,27.49882290710379,5.759948680285711,0.7781119140809127,8.836727140972673,2.425404490848128,26.440098263016218,0.10852315275314195,0.8377569834425129,14.931886028875038,0.9661581035299875,27.71694862274017,0.0032325808917181955,0.8232023772777647,8.811421450573986,0.6402007521359332,24.799694318426543,7.272799960054509E-5,1.004218664614228,5.281327363185078,0.8345072234492966,21.244031336985692,8.026083564303966E-5,2.028659768422018,2.3369387310907968,1.004601519117394,15.662989862508812,9.525128201464707E-5,19.38307006634737,18.44518162074821,11.310662509280451,97.1621867459287,52.08629792639565,2.2001778738657234,25.56286484292959,21.521259457220086,75.72710591719445,0.9922550210822978,2.666614214251324,52.71081897079398,5.996914584754228,83.97425209924616,0.02724193328768721,2.233712182648903,44.564739917417455,2.808757900704953,81.77839889550695,2.973087221034327E-4,2.507541662183452,34.79832505869788,3.7691022155021594,78.43429567562437,2.4391900668453999E-4,4.492513868840489,18.356027218363305,5.029324775678217,59.683855889786386,2.929241224099453E-4,9.727497613031183,18.027126571674483,6.5153771359123,44.93744863934234,14.299745253014034,1.060605710501007,16.05814011065287,7.9630504716942605,50.282625187253224,0.2518133436280716,1.3596007526140046,30.572187605127688,2.6332239381504117,49.58424729648678,0.007149036980548743,1.0806650902869606,18.626697924967708,1.0228494368524008,44.346044439886555,1.1433743125657337E-4,1.3750137085028555,10.975397001879404,1.460547478458942,38.134183282702914,1.117567860459039E-4,2.7785728026942005,5.196721593013977,1.6992505071827813,28.4303801904428,1.3314315102108424E-4,74.4985152750485,0.8677965487342982,0.4161993698768924,0.9830568306804984,0.01145114532450202,0.5585660936640733,0.6600971780671516,0.5311933749990758,75.7825111936597,96.01696593252028,198.70658094756098,0.9745852460207476,1.7498566467303007,68.51597432685985,0.41742873592074514,0.07977731746525346,0.9927954913735823,0.006048536433487259,0.4724680245945363,0.15138526364934124,0.01951680262104057,69.01318038024586,34.09985853373906,105.39471299830119,0.9891932370603733,0.6433700908649181,70.86008600581083,0.560719245580459,0.2105946424512552,0.9892321818479773,0.007827841511005547,0.5053374220369617,0.27540325728775944,0.13600173529264128,71.63139989384254,54.773452912442174,134.77232843830717,0.983848272771966,0.9167424146173624,74.25468462553613,0.8600455654493133,0.40281494210125524,0.9832772568901043,0.01138868542315075,0.554914375248702,0.6480568799799687,0.49757775598808146,75.5175451330867,94.11974791886287,195.3620269352242,0.9749158853351565,1.7005490112167523,71.97670651720753,0.6383451484057191,0.2731832379764485,0.9874941629799671,0.008757862626939275,0.5213913445010904,0.35720558578035355,0.22885368485668406,72.8882349035897,65.78319634332105,151.22310321871956,0.9812412444699505,1.107450615138128,74.95862591465226,0.9106331578514796,0.44232296042212227,0.9822706320294887,0.011933092377230134,0.5654866845971516,0.7268442519088817,0.5999689574787691,76.31158203292586,101.81852550285035,208.32298887229186,0.9734059480442332,1.8922998939848026,74.29413088866949,0.8656625927483959,0.40473871872170797,0.9831878624206218,0.011455937958506898,0.5555038766235244,0.6563608299263627,0.5023418008780263,75.56453220013958,94.73372848413156,196.32848496988018,0.9747817936309328,1.7142065074279134 +UMLCN0175,L,ethyl valerate,CCCCC(=O)OCC,Esters,,C7H14O2,Marquardt (2015),IQT,PubChem,,18.6,0,-0.22829999999999917,0.05212088999999962,32.5533,23.259101999999984,0,0,23,9,14,0,7,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1536.0097449999985,1467.3118039999997,1694.0728359999985,1444.1508189999977,1285.7061539999986,941.1908599999997,504.4146259999999,275.4956410000003,84.835296,3832.5722882070486,4632.085644161372,5588.243923159746,5289.602429038396,4587.971068724814,3714.265062784098,2682.582578895432,1881.7205097638184,1061.4246313942745,173.54554000000005,167.45108000000005,302.0950480000001,353.46038799999985,276.38169600000003,254.04320000000018,203.15136800000016,145.901476,123.32735999999997,27.033288667885984,33.55214034000001,43.603375220490044,42.28533002898004,35.62907730449002,29.808516670489986,23.25443575448999,18.370472148489995,12.016620718188005,3847.310192574487,3237.7174336756007,6434.654723300291,7952.4435072307315,5944.410901914991,5543.212398680341,4591.97382201549,3507.1963534614906,3137.747110568388,95.02777777777777,59.75000000000001,106.83333333333333,110.0,106.16666666666666,97.75,62.0,31.0,24.0,66.78303239130427,66.69599109090908,42.351820899999964,30.726613170212715,35.714059833333295,28.520935151515143,18.68202318518518,13.118840047619063,4.713072,166.63357774813255,210.54934746188056,139.70609807899365,112.54473253273183,127.44364079791151,112.55348675103328,99.35491032946045,89.60573856018183,58.96803507745969,7.545458260869567,7.61141272727273,7.552376200000002,7.520433787234039,7.677269333333334,7.6982787878787935,7.5241247407407466,6.947689333333334,6.851519999999998,1.175360376864608,1.5250972881818186,1.090084380512251,0.8996878729570221,0.9896965917913894,0.903288383954242,0.8612753983144441,0.8747843880233331,0.6675900398993336,167.27435619889073,147.16897425798186,160.86636808250728,169.20092568576024,165.12252505319418,167.97613329334365,170.07310451909223,167.00935016483288,174.319283920466,4.131642512077295,2.7159090909090913,2.6708333333333334,2.3404255319148937,2.949074074074074,2.962121212121212,2.2962962962962963,1.4761904761904763,1.3333333333333333,0.2693223467879251,-0.16230695129439496,0.059386779143602894,-0.02720025947236715,0.007221562096986238,0.014946091790266477,-0.03868035513698511,0.002696046509263435,0.00403758723249338,799.1117028695654,-15.004761005670908,-5.477842468809058,70.39667648393186,-167.8206264914933,-262.8178920302455,-257.39884536861973,-38.6829972287336,82.45501497164443,1081.7952715197541,-149.5950004293884,-291.6044175789282,242.25513536302304,-169.59180682917685,-215.82065295525604,-113.2879928893277,-136.5856612320529,34.68405272202928,1.9759259130434768,0.013204083175804241,0.789045368620039,-0.4965985179584101,-0.5642224725897891,-0.7024335274102047,-0.5950744196597337,0.17345338374290822,0.22022980718336177,4.769103566737999,-1.0663262558759914,-1.6886209159139942,1.0949511142319968,-0.6564476872539995,-0.5096442688000009,0.334936456271998,-0.6994026885740008,-0.09886078250400333,26.677999935111906,-6.490143963855434,-9.469081273794732,5.719031125948359,-3.6455412721696923,-2.279217332603867,3.0462158731287228,-3.8681350395066985,-0.8877985097618281,38.15700483091788,-0.6417244276412513,11.277672757823986,-6.510449485402232,-10.024732199117832,-11.70715185885318,-9.615469439193447,2.7298361688720836,2.4640831758034003,0.011709667251648917,-0.007377588695199771,0.0014846694785900724,-5.787289249439819E-4,2.0059894713850661E-4,4.529118724323175E-4,-0.0014326057458142634,1.2838316710778262E-4,2.2431040180518778E-4,34.743987081285454,-0.6820345911668594,-0.13694606172022644,1.497801627317699,-4.661684069208147,-7.964178546371076,-9.533290569208138,-1.8420474870825523,4.580834165091357,47.03457702259801,-6.7997727467903815,-7.290110439473205,5.154364582191979,-4.71088352303269,-6.54001978652291,-4.1958515884936185,-6.504079106288233,1.9268918178905154,0.08590982230623811,6.001855989001928E-4,0.019726134215500978,-0.010565925914008725,-0.015672846460827474,-0.0212858644669759,-0.022039793320730878,0.008259684940138488,0.012234989287964543,0.20735232898860864,-0.04846937526709052,-0.042215522897849855,0.023296832217702058,-0.018234657979277764,-0.015443765721212149,0.012405053935999924,-0.03330488993209527,-0.0054922656946668515,1.1599130406570395,-0.2950065438116107,-0.2367270318448683,0.12168151331805019,-0.10126503533804701,-0.06906719189708688,0.11282281011587862,-0.18419690664317612,-0.04932213943121267,1.6590002100399077,-0.02916929216551142,0.28194181894559966,-0.13852020181706876,-0.2784647833088287,-0.3547621775410055,-0.35612849774790545,0.12999219851771826,0.13689350976685558,-0.630042556859238,0.12679006556578334,-0.049423174246261116,0.01713105443796953,0.03867845795264079,-0.12234384761125715,0.010963861256578757,0.01915600136063654,-0.019630291410459088,-0.003941575887644491,0.043109664524497736,-0.1341723981850984,-0.22922465771526007,-0.2743867750959176,-0.05301773463054144,0.13184537958681153,-0.14456965869010358,-0.15499470604297416,0.10958671063876131,-0.10015788003726113,-0.13904706283168494,-0.0892078095329251,-0.1382829296660479,0.04096755918448528,0.006986227916532565,0.2296144222622681,-0.12298856673623347,-0.1824336966378457,-0.2477698579226404,-0.25654567462806305,0.09614366225430701,0.1424166522467144,-0.2337537056058497,-0.20359319378645155,0.11235384879126156,-0.08794045414498106,-0.07448079216925789,0.059825968661685124,-0.1606198015452479,-0.02648760070097202,-0.2543350522591784,-0.20409032707380623,0.10490572056084738,-0.08730398899617926,-0.05954514646887957,0.09726833491928799,-0.158802341371071,-0.042522273396696925,-0.017582452364372964,0.16994682534658478,-0.08349619305577823,-0.1678509632630668,-0.21384094793602923,-0.21466452842663514,0.07835574566599438,0.08251566753180975,1.6252740933620786,0.925847424571158,1.2658574032330552,1.3621607178757051,1.214854105137428,1.0044753771020176,0.1275540167537781,0.09918917663410612,1.090358551715793,1.0043470893592985,0.935653078707719,1.1819091457671635,1.2754624716502636,1.2429412485137754,0.7935752698413491,0.5555026888889443,1.5045036235286444,1.2132766319683785,0.781904846982527,1.060838101137694,1.0336389332683389,0.9516120112341057,1.090075787301273,0.763053051110891,0.7098990861653502,0.7241845408039419,1.2646124934390184,1.4802804220221217,1.658029101718947,1.4392800093836773,0.0628701035026778,0.04400907245187446,1.7141808475202938,1.2931073509805464,0.759272431886947,1.054582497650845,0.9583845794252525,0.7831469898390763,1.1053956325751917,0.7737769428026341,1.7470150133538287,1.2989877047105391,0.7698148169828473,1.067646704578962,0.9586377491334117,0.7514163843513031,1.073401656424698,0.7513811594972888,0.5809330885611191,0.5040941317971765,1.0652143754739316,1.7784099301555143,1.966291067924289,1.3987043953493277,0.07550258186454932,0.09609419510033548,43.91539099937674,22.207695499688356,34.58937682450562,44.304279888265604,4.9226977653628445,22.20769550060313,0.4999999999999716,0.15599066242496928,0.017332295824996586,-1.6721632167968283,40.474213433482056,4.49713482594245,3.3305985593850984,43.92840058301158,22.213465870604477,34.59752111623379,44.31614703938732,4.924016337709702,22.21346587151366,0.4985311581973768,0.15568856134816833,0.01729872903868537,-1.6739079019315966,40.463500878154484,4.495944542017165,3.3303603194018443,55.56708933404427,27.3845501889641,42.46271359191732,54.9464312570651,6.105159028562788,27.384550188968266,-0.7979889561160718,0.07729046210373891,0.008587829122637657,-2.304166247146478,84.73659351596372,9.415177057329302,3.9955927906307025,43.942054741122206,22.219522170780024,34.60607061163994,44.32860220812942,4.9254002453477135,22.219522171683376,0.4969896004378427,0.15537156032398347,0.01726350670266483,-1.6757422805655426,40.45236912921739,4.494707681024154,3.3301126900034164,68.06409737475366,32.94975442303765,51.821635347849565,66.38052851911493,7.37561427990166,32.94975442303767,-2.164588528678351,0.2306554076825278,0.025628378631391977,-1.3201473814638607,42.885287467557795,4.765031940839755,3.3826759358752567,45.27958447260167,22.81292642217913,35.45189550575016,45.548904317301236,5.060989368589027,22.812926422660972,0.34626837175659375,0.124678683578139,0.013853187064237667,-1.8738138442888301,39.85207986254697,4.4280088736163306,3.3166571365430966,43.53547792536523,22.037648402461887,35.39753931324054,44.187604647640185,4.909733849737798,22.037648403788765,1.1746031746031633,0.3118453606722064,0.03464948451913405,-1.048723067622001,47.801915813923635,5.311323979324849,3.4803591466350907,0,11.889999999999995,15.995918157000013,-0.31593231261348675,0.26147297238386646,4.114713536097901,6.937952549431341,8.0,22.0,21.0,21.0,7.0,1.0,1.0,0.0,0.0,1.0,18.178897999999997,3.5517271671873902,3.2187072137845614,2.9476074636937164,2.4383315986268874,1.9170078125401735,1.7125537792113896,1.2240524109423194,0.9724415913087571,1.8426310048521861,1.6550059466083413,1.4533383606337986,1.0086096534688467,0.849206018779434,0.6150852608604293,0.3909564220979949,0.08392307051869097,3.4790142686313508,3.180929350677489,2.9382816463007377,2.398390190283085,1.897417640113694,1.7082106866560576,1.320720759893619,0.6044132550673789,1.8062584561809594,1.6197997779029172,1.401383818043617,0.9919053407213146,0.7400091644789272,0.5403977704839702,0.37254184962038167,0.27091390189293685,3.6458148267747723,3.390558072111495,3.144327831607922,2.692408453983593,2.276738621967423,2.1054041309722464,1.792146356559046,1.226893419886884,1.6062361818106625,1.3542824548462515,1.1340327856967538,0.6317763174185596,0.2938230639146935,0.08253824570839396,0.15323346080505668,0.9439184268026207,3.479350097365617,3.1814480254262287,2.952978933331704,2.3993232975540857,1.938111886376367,1.7375668997069993,1.3945430495698607,0.459593575817219,1.7947934766317566,1.5966597029060012,1.368577203268703,0.9738884715065721,0.6683493019171252,0.49539754836639643,0.28910754558147295,0.3992772455089818,3.6761999243116836,3.44644498541247,3.212867078607251,2.7679000942990624,2.411243987981965,2.2302532685070267,1.9805558784510364,1.2089363533495017,1.5629851858342765,1.2974949517468364,1.0662019473415287,0.5603655561732805,0.1545346523298175,0.039860255150902434,0.3319615515177802,1.207644822962087,4.914899568281402,3.42631349866624,3.3704188628182266,2.839827779832218,2.5494292842178905,2.0633232407583657,1.6187124280167082,1.5115490162771785,1.6985863536988086,1.3884652797954793,1.1823395715575373,0.6414630602854952,0.47460754856822707,0.2116887344905169,0.2026768695278384,0.5999999999999991,0,0,1,0,0,3,3,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.49279927982674443,0.3907372072107787,0.08333333333333333,0.10059223176554563,0.0797588984322123,7.112884175122364,4.3080604124904465,3.036075375305439,1.831951230073507,1.1897227048854204,0.5948613524427102,0.20412414523193154,0.10206207261596577,0.7903204639024849,0.5385075515613058,0.3795094219131799,0.2617073185819296,0.1982871174809034,0.14871533811067755,0.10206207261596577,0.10206207261596577,6.144923705673916,3.4646903780250446,1.9085745604136395,1.0397794361340933,0.5542706839575913,0.26753738725409254,0.10206207261596577,0.051031036307982884,0.6827693006304352,0.4330862972531306,0.23857182005170494,0.14853991944772763,0.09237844732626521,0.06688434681352314,0.051031036307982884,0.051031036307982884,12.22239283533483,22.876183539694097,21.776470588235302,22.12,13.550360479041911,177.5068275449102,0.5314083841449926,0.9946166756388738,0.9468030690537088,0.9617391304347827,0.5891461077844309,7.717688154126531,1.7396999999999998,36.15799999999999,25.02074590899541,38.3112432447698,50.04149181799082,5.560165757554535,25.020745909041963,0.045146305915419904,0.005016256212824434,-2.7880621384572564,41.34668253569778,4.594075837299753,3.349792970431586,83,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.284722222222223,-0.07004629629629577,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.391666666666667,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.878047052154195,0.0,3.073943688586546,0.0,0.0,0.0,0.0,0.0,0.0,-0.07004629629629577,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.579722222222223,4.705,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.705,-0.07004629629629577,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2725,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8232596371882086,0.0,0.5025273998488284,0.0,0.0,0.0,0.0,0.0,0.0,-0.07004629629629577,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.579722222222223,4.705,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.579722222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0547874149659866,0.0,1.0543792517006803,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.579722222222223,4.705,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,22.166666666666664,2.462962962962963,0.5559027777777779,10.579722222222223,0.23777777777777787,-0.07004629629629577,3.166833712207105,1.7367129629629625,3.5797222222222227,9.679019274376417,1.7367129629629625,3.5797222222222227,9.679019274376417,4.16666,0.46296,0.0,0.03704,0.52319,0.87037,0.42414,0.52319,0.87037,0.09905,0.0,-0.09905,0.0,0.53191,0.18238,0.0,0.32,0.12,0.0,6.25,0.69444,4.75,0.52778,1.5,0.16667,-3.25,-0.36111,0.0,0.0,6.99625,0.77736,9.95878,2.96253,0.32917,3.22862,0.35874,4.30805,1.07943,0.11994,0.10595,0.01177,0.10595,0.01177,0.0,8.02,2,2,2,2,0,0,0.8571428571428571,1.2646726793957221,2.032128525239341,3.327484781955842,3.762267390651494,3.762267390651494,3.555533151426996,29.08747162610161,46.73895608050484,76.53214998498437,86.53214998498436,86.53214998498436,81.7772624828209,0.2795745237229117,0.449231942654911,0.735589523097029,0.831704622861161,0.831704622861161,0.7860029741973945,3.258889276661291,2.491433430817672,1.196077174101171,0.7612945654055192,0.7612945654055192,0.9680288046300172,0.2795745237229117,0.449231942654911,0.735589523097029,0.831704622861161,0.831704622861161,0.7860029741973945,11.608038931487028,21.16489296161045,24.382068025617595,24.82025282213933,24.820252822139338,22.339441951445348,32.94327953276238,20.14385474176344,17.422680903859384,16.158190214968016,16.158190214968016,19.51733175319019,9.0,6.125,5.877551020408164,9,3,5,2.01,1.1693000000000007,0.14285714285714285,2.809664852122232,0.5773502691896258,0.0,2.701599969404812,2.1491398636470835,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,3.8569999999999998,8.0,7.0,6.0,4.0,2.0,1.0,0.0,0.0,0.0,45.0,2.302585092994046,2.3978952727983707,2.302585092994046,2.1972245773362196,1.791759469228055,1.0986122886681098,0.6931471805599453,0.0,0.0,0.0,3.9889840465642745,1.1777777777777778,0.42857142857142855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.625,7.0,0.875,0,4.0,7.0,0.75,1.5,0.666666666666667,0.375,0.16000000000000003,0.05555555555555555,0.04081632653061225,0.0,0.0,0.0,0.0,0.1875,0.08333333333333337,0.05357142857142857,0.026666666666666672,0.013888888888888888,0.020408163265306124,0.0,0.0,0.0,0.0,0.38536848072562363,25.02074590899541,38.3112432447698,50.04149181799082,5.560165757554535,25.020745909041963,0.045146305915419904,0.005016256212824434,-2.7880621384572564,41.34668253569778,4.594075837299753,3.349792970431586,26.3,144.57234578218896,4.169925001442312,3.4965075614664802,4.143134726391533,4.844187086458591,5.517452896464707,6.2285110035911835,6.910750787961936,7.624130585661289,8.309676895987726,9.023408202624545,73.097759746608,2.833213344056216,0.0,3.8918202981106265,0.0,5.117993812416755,0.0,6.424869023905388,0.0,7.773594467360194,8.080856419640986,130.099379688,5.656494769043478,16.655023528698862,1.8505581698554292,5.287016006143812,5.287016006143812,0.0,108.0,7.0,2.0549999999999997,32.0,1.2332272727272726,2.115679294547846,2.845533889885497,3.670334379125269,4.858672117020147,5.766022741038044,7.0238860654892346,7.965956492827946,9.145888308558622,0.0,92.90307534131817,98.68604193453275,98.87406753274536,155.1453652877126,156.12199337301266,124.60304660043181,103.65980882345043,40.57188901374932,9.292807858347308,0.0,281.9160909398827,314.828657505218,348.0258488755589,526.3499537821722,586.7235777689481,627.7540546735958,670.3473981013253,492.573379460608,284.2884547770692,0.0,9.447098998727272,16.093021284193313,21.468062655213902,28.20657477543658,37.52026047723852,43.603560651450046,48.925204421550255,54.687879961233456,61.44632134907199,0.0,1.9926086662918174,2.4090604245860545,2.715651730597813,3.9899049931094854,4.612000694135928,5.314923899065854,6.419041604121413,5.500606236989743,4.066379968292755,0.0,179.7781318038599,337.28351679928323,477.98989760024784,594.0360199894084,809.4540437463013,969.672177118599,1163.5545714455695,1379.9400176093193,1691.2361916946904,0.0,3.442492424242424,5.939856311919476,6.787797073273624,10.828681639393572,14.5880243703337,13.427158000912403,10.677198091870011,10.894267476179943,9.145888308558622,0.0,0.4504673863636365,0.5713826436916236,0.6548542350280998,0.9646675072953776,1.1423444318032687,1.2542934810184467,1.3883894293289147,1.2186495361748158,0.9365389627964027,0.0,385.81241607774393,303.9318913220833,12.695602166794874,183.05002559316398,-144.20152946522924,-19.83030752460559,202.76239048457995,448.1334207873125,32.525909691400464,0.6782174174559757,0.5342801159966728,0.02231752570885914,0.3217825825440239,-0.25349103562131653,-0.03485958304147912,219.47419303693775,172.89543779913737,7.222051247085404,104.13028450684948,-82.0308341442697,-11.280717157532116,0.33187340776895835,0.4009954712780509,1.8786548033208508,4.042643096705396,521.7649363366127,47.09750533429526,0.9172075674464342,0.08279243255356553,648.0661597754147,25.457143590265872,8.65379191462369,783.6846649204415,27.994368450108702,9.219636166382772,1090.326662256786,33.0200948250726,10.292452642543191,2.4721682042218087,2.4721682042218087,969.8872798042361,907.913892054578,82.03201708984534,1.0682591028642754,11.823277230181597,11.06779918699534,4.4851176343198915,5.328778950531526,9.75576134022483,0.8307686302603579,3.917833805674246,5.241545688360976,3.5364187910666436,16.173736614689588,7.3948234719584285,1.7532311884180938,4.841623031186709,9.280927704832513,5.2750919357175485,1.5066138586676319,3.942891182790997,2.4468830173846627,2.5340434741126137,0.007413297192170801,4.08624423218518,0.5800604971792502,3.809792817165768,1.010348693587359,0.0051328493120003805,1.7613334108869138E-24,1.1657494247531394E-67,1.4881432922737988E-132,3.66403992498855E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3453041632868157,5.392468714640721,0.308604020784582,4.39284656006417,0.21147180336118548,1.6749470536083573,0.677623029456367,0.6444241715742463,2.1611703230165986,0.06839815264016483,2.8228340910476617,0.08469175461367567,0.29399511446529325,5.702132544250882E-4,0.039575786425276614,0.5650878085785775,0.2745649559286064,0.0071159688802716545,3.615107739330665E-5,1.2405215228805237E-26,8.210468516370567E-70,1.0481114885945101E-134,2.580613278296387E-221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0672664945132662,5.1113891006139776,0.7424335495073411,5.129892891769272,0.7278829586767379,1.5283914740584927,1.1456554244062571,1.5494331599948161,1.8132918345605098,0.25398602412015436,2.58478303841534,0.3464681573115833,0.5390160192718964,0.0018143033368341324,0.32764428277011,0.5678768066660302,0.9160893600648305,0.07415387887650204,3.767220990654326E-4,1.2927190715536577E-25,8.555941224508145E-69,1.0922129809360112E-133,2.68919800231442E-220,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.703230625435651,5.392104872556007,3.8185643110196006,16.48698124009437,7.139858797444051,1.83135699481406,4.855300080255305,9.317760590282235,5.617338540216585,1.3921067461715326,4.365230766793813,2.2392356658008343,2.3218989449960246,0.00694033795164066,3.648203744901787,0.5790493368248522,3.5650351683473454,0.9002024964198463,0.004573276327521793,1.5693163588593857E-24,1.0386617498357773E-67,1.3259088815650012E-132,3.264593607466422E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5653727020140311,5.004591042213474,0.9653038604127407,5.842878071071929,1.2323683116385207,1.4832804145132377,1.5116622410195182,2.205151768671587,1.7981569210440576,0.4104719596555869,2.4915801118630068,0.5878236808218413,0.7702111077090057,0.0027136806489531256,0.685120629121687,0.5698707175441003,1.3802564189695654,0.16107213281928187,8.182907392737926E-4,2.807958565104622E-25,1.8584647641204204E-68,2.3724325433303743E-133,5.84129740948715E-220,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.731374742521921,5.337037471299498,4.796990303507619,21.520721026576044,10.782857580821002,1.8667181750435926,6.371267082420786,12.930217936770033,7.100151637242324,2.020447297534383,4.664473432756529,3.363373148465963,3.40502558975844,0.009225800005101195,5.924189554661755,0.583911715418542,4.748190822253663,1.4734986140682411,0.007485778328300922,2.568739246894265E-24,1.7001359770379465E-67,2.1703171337340758E-132,5.3436578783606014E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4652270582414677,5.3545060236037525,3.0351110822244824,16.50351793026355,4.929390564675116,1.9215889231214107,4.040298121986756,9.263211414084573,8.149063801616967,0.7786491831545733,4.8121873913904505,1.067114471784206,1.2110579429910007,0.004860237240379451,1.4971720949025529,0.822931933329069,2.5315622448967208,0.3637255316576208,0.0018478257523201374,6.340800279192892E-25,4.196697929111303E-68,5.357315852185677E-133,1.3190543729958785E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.661973819406821,0.7963735362559444,0.432671491304348,0.8871505921686518,0.07312204188111522,0.5819682336954156,0.5132822915781341,0.5217211651392427,10.891018846967112,12.219569004726859,26.439796059926117,0.8307258882529777,1.6169716904127922,6.980760380300397,0.5725309824717769,0.0770511330194259,0.9148685506778405,0.07503345790671229,0.30462102813187825,0.26373252388571156,0.01654550217731585,7.6303424957915995,4.57869125646088,12.516984138790853,0.8723028260167608,0.5848990541949056,8.436571263470979,0.5877970478720389,0.22057747947596326,0.9125603821116196,0.06358036717270657,0.44413003857995415,0.2794608396168826,0.13559517439958851,9.244945790818981,6.949564098809116,17.288351775769076,0.8688405731674294,0.8591860525964252,9.382595629516898,0.8054779677734969,0.4106170783151328,0.8852598794219314,0.07599787487216936,0.5488889264117603,0.5251147226057746,0.46988968499829664,10.598690675605527,11.740871074282692,25.44278966789043,0.827889819132897,1.5438933340158316,9.063352512713717,0.6174322913335599,0.2932309642304809,0.9086964291293387,0.061904082134830396,0.5123138711514811,0.30852870217896905,0.23963020066076732,9.97401576827776,8.434712371687178,20.049650524465036,0.8630446436940081,1.0604727739912174,9.751718650422182,0.8294872242760909,0.456503139183375,0.8834911880860301,0.0751503072995384,0.5927932285605619,0.5568318192967024,0.5807770295867991,11.03770901388165,12.919279733405414,27.649608875005423,0.8252367821290453,1.7304020774440634,9.43773089296116,0.8173900880407059,0.4139626528735634,0.8845868320870033,0.07661296097121302,0.5553957553529678,0.5407620050279852,0.47757789544583373,10.66908363387543,11.959544772336884,25.822063680785647,0.8268802481305049,1.5737356558267868 +UMLCN0176,L,propyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCCC,Esters,,C19H38O2,NREL (2014),Other Ignition Delay Method,PubChem,,85,0,-3.974099999999998,15.793470809999986,68.1129,60.38213399999995,0,0,59,21,38,0,19,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3291.564732999997,3489.0513680000026,4018.575280000004,3849.1115309999986,3636.664565999998,3450.0301729999987,3105.5148789999994,2866.4735579999992,2669.7168289999995,9660.784975541355,12467.967258045783,16550.80926310778,17283.118154571443,16404.07650707203,15662.752863231235,14789.046857290516,13722.710087044572,12715.911742089444,425.2748679999997,428.7604400000003,814.8491440000012,1108.2190200000032,1037.2627680000032,968.1155960000028,945.7771000000024,894.7894800000026,831.9045800000022,71.17079838426194,93.74400377999991,135.855656958678,149.67289266573223,140.81323183494007,134.86589475784587,129.0453341238457,121.08717873554365,112.06564987614767,9806.866114236464,8434.190851865202,17525.081110890453,25694.392611035535,23851.64815795052,22212.917607339485,21811.71910410484,20886.7170311233,19407.76187608472,146.02777777777777,122.75,216.83333333333331,259.91666666666663,254.74999999999997,240.83333333333331,229.08333333333334,201.83333333333334,189.58333333333334,55.78923276271181,60.156058068965564,35.88013642857147,24.83297761935483,25.254615041666653,25.55577905925925,23.526627871212117,22.749790142857137,22.818092555555552,163.7421182295145,214.9649527249273,147.77508270631947,111.5039880940093,113.91719796577799,116.02039157949064,112.0382337673524,108.91039751622677,108.68300634264482,7.208048610169486,7.39242137931035,7.275438785714296,7.149800129032279,7.203213666666689,7.171226637037058,7.164978030303049,7.10150380952383,7.110295555555574,1.206284718377321,1.6162759272413778,1.2129969371310536,0.9656315655853692,0.9778696655204171,0.9990066278358953,0.9776161676048916,0.9610093550439972,0.9578260673175015,166.21806973282142,145.4170836528483,156.47393849009333,165.77027490990668,165.63644554132304,164.54013042473693,165.24029624321847,165.76759548510555,165.87830663320275,2.475047080979284,2.1163793103448274,1.9360119047619047,1.6768817204301072,1.769097222222222,1.7839506172839505,1.735479797979798,1.6018518518518519,1.6203703703703705,0.3208204807448869,-0.1633218836802428,0.025338701422988386,4.887938245830056E-4,-0.03377988644544104,0.022006247425860357,-0.016143680372247213,0.0020665383987979284,1.0363988254311063E-4,1781.2457987457628,-20.600686224643205,-521.6912756190715,133.13435051536854,-66.37339320999678,-108.38465211318547,-220.74705814306185,9.37958444125206,8.053573639758152,2884.6276933465706,-155.1602787266779,-1217.2564171524682,147.0645153161646,88.14615307748299,-156.85190024716132,-212.62415684169696,7.408252862405703,7.2315510437632895,2.274046237288135,0.057433868428602576,0.8244986681987845,-0.028917267451879284,-0.3757653249066397,-0.17953576328641196,-0.3228715817293877,-0.03875664234414722,-0.04932030106290752,12.824708416228841,-1.0427608490852756,-5.6145842831890205,0.28059750043860404,0.8476607125000212,-0.6633515524012688,-0.48397630094088784,-0.029421485605820377,-0.029831837834944044,70.48104424497117,-6.253937816604505,-30.35151138714671,0.828300010835918,5.2320546452331556,-3.613684108828781,-1.9377177666076602,-0.2907198627368719,-0.29732191550020604,42.467984934086715,0.6534121740240639,11.10597210252483,0.7121676402055576,-5.214234415397866,-1.1442593124581137,-6.898712055922606,-0.9598774298573262,-1.1851000670305516,0.00543763526686249,-0.002815894546211083,2.262384055623963E-4,3.15350854569681E-6,-2.3458254476000723E-4,1.630092401915582E-4,-1.223006088806607E-4,1.640109840315816E-5,8.858109619069285E-7,30.19060675840276,-0.35518424525246906,-4.657957818027424,0.858931293647539,-0.4609263417360887,-0.8028492749124849,-1.672326198053499,0.07444114635914334,0.06883396273297566,48.89199480248425,-2.675177219425481,-10.868360867432752,0.9488033246204168,0.6121260630380764,-1.1618659277567505,-1.6107890669825526,0.0587956576381405,0.061808128579173414,0.03854315656420568,9.902391108379755E-4,0.007361595251774862,-1.8656301581857602E-4,-0.0026094814229627758,-0.0013298945428623107,-0.00244599683128324,-3.0759239955672395E-4,-4.215410347257053E-4,0.21736793925811596,-0.017978635329056476,-0.05013021681418768,0.0018103064544426066,0.005886532725694591,-0.004913715202972361,-0.0036664871283400595,-2.3350385401444743E-4,-2.5497297294823967E-4,1.1945939702537487,-0.10782651407938802,-0.2709956373852385,0.005343871037651084,0.03633371281411914,-0.02676803043576875,-0.014679680050058031,-0.0023073004979116815,-0.002541212952993214,0.719796354815029,0.01126572713834593,0.09916046520111456,0.004594629936810049,-0.03620996121804074,-0.00847599490709714,-0.0522629701206258,-0.007618074840137509,-0.010129060401970527,-0.5178527812211744,0.041606028072738985,5.799411676091289E-4,-0.043140544234288286,0.029977965088050923,-0.022491506487383076,0.003016218925735631,1.629037106083874E-4,-0.011764726959441214,-0.15428500179881294,0.02845028258362108,-0.015267210275851841,-0.026592684318576438,-0.055392268576650944,0.0024657055406289443,0.002279979441414093,-0.05471605791976303,-0.22229325907726147,0.019406107859853722,0.012519964986312518,-0.0237639297077262,-0.03294586513579329,0.001202562052860912,0.001264176862262795,0.025691697284534094,0.19099616917757692,-0.004840366810844799,-0.06770284677166669,-0.03450403810717878,-0.06346124835958018,-0.007980467272947213,-0.010936858117043344,-0.08271061220168052,-0.23062378465418493,0.008328304811745665,0.027080961183997623,-0.02260551956163837,-0.01686765371587872,-0.0010742331864184015,-0.0011730017491009528,-0.09026206122276353,-0.22685167021868963,0.004473378545947264,0.03041511485814828,-0.02240763899895028,-0.01228842637380788,-0.00193145165249878,-0.002127260823569555,0.01565127006129527,0.13776183296537603,0.006383235905648289,-0.05030584133389486,-0.011775545750402242,-0.0726079949849929,-0.010583652986260506,-0.01407211961301674,1.6099344891908014,0.9892072199928469,0.9976840073003569,1.1840120131754799,0.9737954547642094,0.9039839135332299,0.758435183287618,0.7991613655596165,1.3047668034565971,1.2689763011464217,0.9367296759637834,1.014272663396861,1.015185122981086,1.0341495753949508,0.933708340121465,0.9381459309333549,1.5007461369012725,1.3983861892406433,0.9467201694232203,0.9555257360784573,1.0173497677093122,1.009911159908185,0.9661780110449003,0.9631226008744584,0.7419813952473332,0.7220895079642873,0.9490658673193324,1.2376928785273018,1.0028250963606447,1.05034386547914,0.7483079408148562,0.7955302391590403,1.5791546095896531,1.4281004663397803,0.9558810951309682,0.9389094527389439,1.0174424765537022,0.9934909909003998,0.9675686437107194,0.9641923183097045,1.5920566994477672,1.4269801623268,0.9587952641810803,0.9380515410033423,1.0172470603229349,0.988957652031532,0.9646374002492133,0.9619375156470069,0.5926032682202156,0.5118117827605967,0.8076925552755769,1.2171478089916679,1.1798430190017937,1.2657187605193168,0.7352566356357831,0.7859783653668473,283.91115666854273,142.2055783342712,227.2248891031545,284.36353762092335,13.54112083909159,142.2055783342712,0.49999999999965894,0.1318794464689128,0.0062799736413768,-4.2543208218428585,177.35558051479694,8.44550383403795,10.874128958354857,283.932631723411,142.2155814408041,227.2374111837031,284.3836837236846,13.542080177318317,142.2155814408041,0.4985311581971814,0.13175141741173269,0.006273877019606318,-4.256360499877949,177.36364053685455,8.445887644612121,10.8742243918432,303.1584566172139,151.1802338305488,238.69589044452164,302.43646660929915,14.401736505204722,151.1802338305488,-0.7979889561163134,0.017105527818076838,8.145489437179446E-4,-8.543542567343955,220.505291421819,10.500251972467572,11.331435553151348,283.95517072546807,142.22608016295283,227.25055429642384,284.40482798300684,13.543087046809852,142.22608016295283,0.4969896004376153,0.1316170454347645,0.006267478354036404,-4.258503362186278,177.37215098867853,8.446292904222787,10.874325153870945,323.9175871030146,160.8764992871681,251.65496220332614,321.9591498627818,15.331388088703891,160.8764992871681,-2.1645885286784505,0.1063743303331206,0.005065444301577172,-4.705661073643386,204.51414101815428,9.738768619912108,11.173337956882893,286.16282279380147,143.25454558277903,228.54111292453985,286.4761132253907,13.641719677399559,143.25454558277903,0.34626837175659375,0.11845575805935382,0.0056407503837787535,-4.479753049441741,178.46674273133965,8.498416320539983,10.887244764123556,292.8921431671658,146.5764577892902,236.9007372601737,293.7332936624514,13.987299698211974,146.5764577892902,1.17761069339997,0.20337683305672355,0.009684611097939217,-3.3446588706246483,180.19963895422268,8.580935188296317,10.907537217335976,0,11.890000000000008,15.995924201047147,-0.3156990581655826,0.2615213071246902,4.271858991478331,7.629288714178577,20.0,58.0,57.0,57.0,19.0,1.0,1.0,0.0,0.0,1.0,44.41586599999999,3.582855252212795,3.5239289066192967,3.4225498141074873,3.2912001618061915,3.1780229422569217,3.0269946580917955,2.8131046369333865,2.577581103737089,1.9521586581581343,1.8924094484212461,1.8008016078091746,1.7543555494438978,1.6619717205994542,1.514545631069207,1.3558968220994123,1.2202384853433228,3.5785575252166426,3.5131353823201095,3.41054882719814,3.3033708776064734,3.1982969735444122,3.026762574587586,2.815549917844185,2.5923139985763903,1.895527954378873,1.839342104044343,1.759522634559192,1.6964369827574346,1.5970558860646662,1.4544537059570843,1.2987350153009058,1.158943623619575,3.7055188513660275,3.655264304079223,3.56870955271461,3.4648052621786527,3.3581937197375638,3.2102003309657716,3.0258594206453,2.833308027396986,1.721279959397973,1.6546915065932044,1.553501176275552,1.4739216643097777,1.3765351046837395,1.2091402447060142,1.0196246121951293,0.8358288882238326,3.596979711710858,3.526992945452771,3.4187242326118827,3.318785188568277,3.220245788259667,3.042337608134759,2.8311904095714775,2.613340706678322,1.8613103492162117,1.8119705319176274,1.7379818167319165,1.6570700677194008,1.5562382617791348,1.4193226345230174,1.262820804209871,1.11114970055454,3.758677821532865,3.7019972113016086,3.6168674343517724,3.5304909071660133,3.4268379033002367,3.2759874885507445,3.1003678157587355,2.9257575281968182,1.6678927321345005,1.6027228024499343,1.503686696067093,1.4126677684683906,1.3108188248269803,1.1438537509291182,0.9483039249934693,0.7506985150461148,5.154206484783713,3.6056543381836645,3.5465865597679804,3.5212343696037105,3.402440681495272,3.2344463068347844,3.056205412355229,2.972750427745121,1.8182750608149287,1.742212191316641,1.622064217297302,1.5112333810773668,1.4562547758467188,1.2770801784432972,1.0817088554608558,0.8901832243585883,0,0,1,0,0,3,15,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4505237851453038,0.08333333333333333,0.08838834764831845,0.09196278254943947,15.598165549360939,10.308060412490448,7.278716062424726,4.8509536313038994,3.20748965785179,2.2028242655872443,1.3249060610132923,0.8743500601776564,0.7427697880648066,0.5154030206245224,0.3639358031212363,0.25531334901599473,0.178193869880655,0.12957789797572025,0.08832707073421948,0.062453575726975456,14.630205079912491,9.464690378025045,6.213110867576771,3.9516280866845843,2.5751708268438147,1.708124638492257,1.0899753847919371,0.708228985912795,0.6966764323767853,0.47323451890125223,0.31065554337883855,0.20798042561497812,0.1430650459357675,0.10047791991130924,0.07266502565279581,0.05058778470805679,30.724326480765264,57.53022578295712,54.482352941176394,55.24000000000005,35.13301437125754,453.84588862275456,0.5207512962841571,0.9750885725924935,0.9234297108673966,0.9362711864406789,0.5954748198518227,7.69230319699584,6.420900000000008,91.56200000000007,146.58568695946872,232.53695994111226,293.1713739189375,13.960541615187498,146.58568695946872,0.07726358669729405,0.0036792184141568596,-5.377118248094585,184.61707161132279,8.791289124348705,10.958395973127573,573,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,16.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.340368128096152,-0.013960184240650042,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.1460129118516065,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.298235193403604,0.0,19.54202352940756,0.0,0.0,0.0,0.0,0.0,0.0,-0.013960184240650042,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.281068083120825,5.059300044975326,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.059300044975326,-0.013960184240650042,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2087620296280277,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.026276066400956,0.0,0.5806327160493827,0.0,0.0,0.0,0.0,0.0,0.0,-0.013960184240650042,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.281068083120825,5.059300044975326,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.281068083120825,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.271959127002648,0.0,1.4325107693677406,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.281068083120825,5.059300044975326,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,40.16666666666667,1.912698412698413,0.5559027777777779,11.281068083120825,0.07885992560922284,-0.013960184240650042,11.278061330702734,1.6806268509073168,4.281068083120824,12.277206642999507,1.6806268509073168,4.281068083120824,12.277206642999507,10.16666,0.48413,0.0,0.01587,0.46836,0.77302,0.42923,0.46836,0.77302,0.03913,0.0,-0.03913,0.0,0.62628,0.08801,0.0,0.13115,0.04918,0.0,12.25,0.58333,10.75,0.5119,1.5,0.07143,-9.25,-0.44048,0.0,0.0,26.21929,1.24854,30.1889,3.96961,0.18903,9.25049,0.4405,10.30805,1.05757,0.05036,0.10595,0.00505,0.10595,0.00505,0.0,20.02,2,2,2,2,0,0,0.9473684210526315,1.1007469770519367,1.5652834829268807,2.591635242125398,3.269988886186785,3.716040507681695,3.9280840436023503,64.94407164606426,92.35172549268596,152.9064792853985,192.9293442850203,219.24638995322,231.75695857253868,0.18711775775199338,0.2660850692099506,0.4405562636350242,0.5558706960031373,0.6316957320884559,0.6677413554828003,4.781896072309905,4.317359566434961,3.2910078072364435,2.6126541631750566,2.1666025416801467,1.9545590057594913,0.18711775775199338,0.2660850692099506,0.4405562636350242,0.5558706960031373,0.6316957320884559,0.6677413554828003,9.376575989485314,15.086434894560911,18.961870541637836,21.420008965335644,23.010306401092475,23.3724466735194,78.19606207194039,62.27561641421577,53.95145604084745,46.05520767528328,39.793144949484926,36.94820342975472,21.0,18.05,17.950138504155124,21,3,16,3.3299999999999996,2.860099999999999,0.05263157894736841,4.220458943244643,0.25819888974716115,0.0,25.51236497641743,2.962852336353575,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,9.844999999999999,20.0,19.0,18.0,17.0,15.0,14.0,13.0,12.0,11.0,180.0,3.091042453358316,3.1354942159291497,3.091042453358316,3.044522437723423,2.995732273553991,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,2.5649493574615367,5.272999558563747,1.0777777777777777,0.47368421052631576,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.0,0.85,19.0,0.95,2,10.0,19.0,0.9,1.5,0.666666666666667,0.375,0.24000000000000007,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.075,0.03333333333333335,0.019736842105263157,0.013333333333333338,0.006535947712418302,0.005442176870748299,0.004464285714285714,0.0037986704653371313,0.003333333333333334,0.003005259203606311,0.18729745756384414,146.58568695946872,232.53695994111226,293.1713739189375,13.960541615187498,146.58568695946872,0.07726358669729405,0.0036792184141568596,-5.377118248094585,184.61707161132279,8.791289124348705,10.958395973127573,26.3,352.12416129259066,5.392317422778761,4.394449154672439,5.0689042022202315,5.765191102784844,6.453624998892692,7.155396301896734,7.84971375760487,8.55429627936774,9.251770181739323,9.958212452225375,105.45155843140427,3.713572066704308,0.0,4.795790545596741,0.0,6.008813185442595,0.0,7.284134806195205,0.0,8.596189197642735,8.916506080039204,298.28718045600107,5.055714922983069,40.64991086162398,1.9357100410297132,5.406946605704535,5.406946605704535,0.0,1480.0,19.0,8.671999999999999,80.0,1.2434310344827584,2.1447732226274723,2.8680165253829615,3.629941501590292,4.94540865094348,5.940306765238686,7.234791426890908,8.343846900376326,9.641266884480062,10.787835398342095,86.27315978553447,85.11960829687057,84.83656819823545,115.64683043229502,147.38229560652178,164.72511464965572,187.5936760924125,216.00305418284145,244.7535468293541,273.82622248968283,293.22747230237,337.8176813775758,352.4820506145036,485.3547358031522,631.6882573601246,741.0243632674815,853.7105251590916,983.4491455507413,1113.9942529359016,1242.212492505502,9.237462661586214,15.670086258501156,20.571830408998146,26.344061029834602,35.594238136059055,42.73970444146605,51.55742607101112,59.549282401297376,68.84538492223088,77.17121822424387,2.14745383908862,2.7234487782096535,2.9515933397737615,4.002984459135578,5.2910408685512085,6.287645416420264,7.356591798014988,8.47383092138678,9.621748301663931,10.720709108555567,178.66589734642656,332.34817517308113,471.6181786944107,586.934749117524,804.1164069516507,966.397081983151,1187.4942460025036,1368.9037477244412,1587.9151741392448,1777.5585140883709,2.705583333333333,4.287166681821511,4.92575384295172,6.671189999326839,9.011629968754608,10.531806466587838,11.854355817229301,13.83734940756444,16.116024914389303,18.31190044919991,0.45864504310344795,0.5966071692497373,0.6551053129879807,0.8872162198557345,1.1687972010114602,1.3867663192748654,1.6174645285439815,1.8676519890201941,2.128689929390807,2.3800197863304517,794.1606216320091,1132.8906228895673,22.940018871360532,238.86925481352483,-340.753156859816,-22.631169768605343,555.2913668184842,1473.6437797493834,45.571188639965875,0.7687682996783886,1.0966678202838,0.022206539611703116,0.23123170032161122,-0.3298579882629193,-0.0219075655841388,820.391648842423,1170.309860189914,23.697724860339793,246.75907678665237,-352.00819152932144,-23.378674509880288,0.18327699364340258,0.22125029256829376,0.8991550298036366,2.117121597936624,989.079363377202,43.950513068332114,0.9574547512415054,0.042545248758494525,1393.0449895292145,37.323517914703785,11.168333675268697,1761.1523606371452,41.966085838890734,12.076255968043824,2500.9465568398828,50.009464672598554,13.573800767213175,5.203641190599375,5.203641190599375,15266.402246365327,15169.627930763307,156.78374196830555,1.0063794785240425,97.37235541585358,96.75510828048681,8.352273617028713,12.767576204444865,24.583145743103568,0.925435599479349,10.611447088139666,16.6237533808805,7.096431982967592,75.92714620980877,28.350379466494424,1.6802537471883199,13.876744166842155,11.605529728090485,56.05548625019806,1.6445064445080637,6.305027470739839,51.45948718687814,7.56868671444962,55.29295697114904,3.3295221112180906,10.70080823835918,27.085480157605883,6.567447020553529,46.81785282991865,3.786379813089732,16.823875063611013,18.099245664537438,7.1542514191870765,33.545149381529434,3.6373454033331694,18.437724402586806,10.873402026378416,7.334758856785798,18.008078983301164,3.909311615361942,0.9070527428305268,16.77417114292016,0.5740299701165692,16.638373393687736,0.2802457582023961,1.688936574656456,2.0513399388775677,0.6971589867789398,15.593857924971172,0.0880457373255092,3.8184390035202402,4.157967820797073,0.4556592705009553,11.900430950216698,0.07666301687750379,3.978663791232645,1.16836472098583,0.5358405056649959,8.693510752146786,0.10656747414935505,4.010078020482482,0.5140825106413901,0.6969119703975526,5.564770976309019,0.13189835634727218,3.777838604350036,0.2713258414544035,0.9186646490171652,2.914434819058568,0.1561096697331146,2.88065938663992,16.493126236595483,1.6212383129815917,20.655246468603504,2.1805666521385954,1.512859425973308,4.081171654459628,1.794745093116244,19.404443421312752,0.3125725558973356,3.82752898880939,11.413125207446692,1.1596914970997427,18.20636761274918,0.3810823426245959,4.654479186568211,4.092482833010189,1.1204644411684772,14.514558624894079,0.48317641865679595,5.504878840828596,2.1128952236259675,1.3187577845726275,9.748112312601295,0.540014101928888,5.446099736299607,1.2603448495816172,1.5864505026563482,5.140088379886932,0.6172545413516726,10.021455544646436,16.774257425777623,7.155953318317806,71.22738752421253,25.526047258115877,1.7681990142983683,13.426654357828536,11.43062180579987,53.99235944346239,1.5268764126424128,6.299259126639648,48.08053932827834,6.8700272934704705,52.46158223582832,3.0031844991087966,10.511267335579282,25.22292323985262,5.97041725730378,44.13774026204962,3.4286118501600926,16.293208385031427,16.77122348836875,6.514517644158804,31.463183385928147,3.313989176222081,17.924684764000204,9.892639951794786,6.718563481786841,16.867748280036455,3.5716572406280416,4.237980175948681,16.38637232148595,2.282731579508631,25.483217557354244,4.559020260683071,1.4514091747283502,5.5184187177035025,2.657275184815167,23.14604557090819,0.4916778020620502,3.9979019640867337,17.12410691234016,1.864846276122239,23.207289083702996,0.6968170468704783,5.337178949008169,6.668619178160606,1.7138084721200766,19.055385985979704,0.8529091569911219,6.847119450650842,3.6872105901163894,1.952422468620418,13.055715462730664,0.9114523454308743,6.923904605456546,2.2669245289257924,2.2355071675553915,6.913026388664751,1.02436606269704,12.814882169998256,16.719476805486423,9.204953551824078,103.06901451462394,41.33108467103554,1.7829952449327717,17.147932752837857,16.23986298515778,71.77620356162946,2.1595186990133692,7.304986024811632,65.81843139957671,10.460622806398444,69.1774246352229,4.682229346791552,12.869572288449858,37.11059495213978,9.040004336242177,58.64617786411232,5.261468816917618,21.057734762291943,25.60637096119167,9.807274691139273,42.41592644830201,4.958071410450575,23.45213982879303,15.309171411272425,9.883569885913275,22.848929492809766,5.281990282451659,6.927155476930075,16.60511853688527,5.575740768050771,50.210695283792525,13.41628687795555,1.9478549947126411,10.180651029648565,11.537629478534345,47.504238705644326,0.9941981659305403,5.8428361450003425,31.79626929735446,3.6344612619098733,38.83721181211144,1.5076409493484637,8.823028148221399,17.191976308788888,3.211294018858146,31.077479123237474,1.7662231167848061,12.537872940056333,11.3232228852137,3.562425202294284,21.517289346453975,1.77546553194057,13.74488081985215,5.513579394543106,3.8429335395634734,11.679546354884701,1.9464930894787682,53.35667203105004,0.8180246555231688,0.5046059033898306,0.9758111296914057,0.014960407627315384,0.5428357882936728,0.6554854540682883,0.6101601015757806,54.67930258996304,70.98394502046075,147.6878184421305,0.9637166945371085,1.8084813439377418,51.331649882583235,0.4274396317204001,0.10053204835466716,0.9898192145610404,0.008242243557522977,0.5024196483754716,0.17777345692865565,0.024218554282684362,51.859621562658305,27.144628811257416,81.21004229558483,0.9847288218415605,0.7044116595868116,51.79982307672597,0.5494508176928861,0.2625144770277329,0.9845668562150361,0.010443492508060861,0.5116172029406362,0.29567836286937504,0.16513748608535164,52.61178837144659,42.203897405028826,102.28722978953753,0.9768502843225544,0.9724330518953628,53.37920217593303,0.8131342754874159,0.4884754307156687,0.9761962256703743,0.014870559662503145,0.5432910114096495,0.6475429524917744,0.5717742601913781,54.68081188213611,69.87608377701964,145.75890740917055,0.9642943385055615,1.7626082240928023,52.120564411439716,0.6163296619220837,0.33834790062692927,0.9820127515760195,0.011612375921416174,0.5179785472124196,0.37206725260567486,0.2743254649053404,53.075241973988724,49.966867238197544,113.91101102742283,0.9730191273640293,1.1643712647234348,53.58592589019728,0.8548554106123092,0.5341566594089824,0.9747337219184053,0.015549911329248007,0.5475097805131791,0.7158337580295847,0.6837171064352509,54.974937960218575,74.88812455516081,154.3318275789138,0.9621005828776081,1.9470606449780146,53.45979797783376,0.8198595115072784,0.4912293319745218,0.9760623039068348,0.014968892400482516,0.544931574897831,0.6580467030305259,0.5782394716726932,54.77088682131556,70.49328374367943,146.79451828923692,0.9640934558602522,1.78121774960105 +UMLCN0177,L,propyl valerate,CCCCC(=O)OCCC,Esters,,C8H16O,Marquardt (2015),IQT,PubChem,,20.7,0,-0.8060999999999982,0.649797209999997,36.0853,26.352687999999976,0,0,26,10,16,0,8,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1682.3059939999982,1635.7901009999996,1887.7813729999982,1684.7875119999972,1472.340546999998,1285.7061539999984,743.4559469999997,472.25237000000004,281.5920250000005,4318.256678818236,5285.075778651739,6501.791034822079,6208.336360065061,5329.294712565608,4587.971068724815,3748.919349141376,2888.5188547189473,2068.2229763493997,194.52298400000006,189.22686000000004,344.824556,416.4851199999997,345.5288679999998,276.3816960000001,254.1389880000002,208.78637600000016,186.21226000000007,30.71141447758398,38.56812896000001,51.29106536533905,50.43607521237606,41.57641438158403,35.62907730449002,31.212591142791986,27.392001007885987,21.038149577583987,4343.939852712984,3670.7568851914007,7358.856922266141,9425.885905611078,7583.141452526035,5944.410901914991,5516.975894997043,4986.1515085000865,4616.702265606985,99.27777777777777,65.0,115.08333333333333,125.16666666666666,120.08333333333333,109.49999999999999,89.25,43.0,37.0,64.70407669230762,65.43160403999998,41.03872549999996,30.085491285714234,32.718678822222174,35.71405983333329,22.528968090909082,15.741745666666668,10.429334259259278,166.0867953391629,211.40303114606957,141.34328336569737,110.8631492868761,118.42877139034685,127.44364079791154,113.60361664064776,96.28396182396492,76.6008509759037,7.481653230769234,7.569074400000002,7.496186,7.437234285714281,7.678419288888885,7.677269333333336,7.701181454545461,6.959545866666672,6.896750370370373,1.1812082491378453,1.5427251584000004,1.1150231601160663,0.9006442002210011,0.9239203195907563,0.9896965917913894,0.9458360952361208,0.9130667002628663,0.7791907250957032,167.07460971973018,146.83027540765602,159.97515048404654,168.3193911716264,168.51425450057857,165.12252505319418,167.18108772718313,166.20505028333622,170.9889728002587,3.818376068376068,2.6,2.5018115942028984,2.2351190476190474,2.6685185185185185,3.041666666666666,2.7045454545454546,1.4333333333333333,1.3703703703703705,0.27413972661261626,-0.1633794817784014,0.048258012651587384,-8.040626312908867E-4,-0.030327400471341383,0.05234945538139807,-0.05722673191037248,0.004917490037431653,0.005649167131744737,882.3953095384619,-16.007614863906092,-51.54279202958634,119.0603806863908,-108.926282816568,-161.33200197633155,-518.2121787218931,-38.782312390532155,77.98788378698279,1232.2230783781736,-150.64003299049494,-371.35711577769484,153.00540595202656,86.3838127025966,-167.81575031966474,-344.6390189339512,-137.5102898487161,31.354588671250923,2.0122338461538454,0.022008994082841786,0.8084290414201193,-0.2850685917159753,-0.7867782721893435,-0.5293250177514751,-0.9904401893491079,0.1894563313609414,0.23502485207100032,5.440849319686152,-1.0618528482268264,-2.005132992689112,0.23521534130797112,0.8139787491173466,-0.6592234479345203,-0.0911690624988886,-0.6946496684829483,-0.08589193392701093,30.33541873168614,-6.44520119482697,-11.10342426840456,0.32996387322339893,4.80605703895199,-3.6631710304114486,1.642533930435742,-3.8186936569367846,-0.7602322502500451,38.76068376068372,-0.3874095989480592,10.596482577251821,-3.8477975016436456,-13.175542406311628,-5.040433925049311,-18.542406311637077,2.981262327416171,3.7292899408283997,0.010543835638946779,-0.006535179271136056,0.0010490872315562475,-1.4358261273051548E-5,-6.739422326964752E-4,0.0014541515383721686,-0.0017341433912234085,1.6391633458105512E-4,2.0922841228684211E-4,33.93828113609469,-0.6403045945562437,-1.1204954789040509,2.1260782265426927,-2.4205840625904003,-4.481444499342543,-15.703399355208882,-1.2927437463510718,2.8884401402586217,47.393195322237446,-6.025601319619798,-8.072980777775975,2.732239392000474,1.9196402822799246,-4.661548619990687,-10.443606634362158,-4.583676328290537,1.1612810618981824,0.07739360946745559,8.803597633136714E-4,0.017574544378698244,-0.005090510566356702,-0.017483961604207635,-0.014703472715318753,-0.03001333907118509,0.006315211045364713,0.008704624150777789,0.20926343537254433,-0.042474113929073055,-0.04358984766715461,0.0042002739519280555,0.018088416647052147,-0.018311762442625563,-0.002762698863602685,-0.02315498894943161,-0.0031811827380374418,1.1667468742956209,-0.2578080477930788,-0.24137878844357738,0.005892212021846409,0.10680126753226644,-0.10175475084476246,0.04977375546774976,-0.1272897885645595,-0.02815675000926093,1.490795529257066,-0.015496383957922369,0.23035831689677871,-0.06871066967220796,-0.29278983125136954,-0.14001205347359197,-0.5618911003526387,0.09937541091387238,0.1381218496603111,-0.6198104271463069,0.0994976844746264,-0.0013617683132327156,-0.06391812768847326,0.1379148526368174,-0.16446988084846814,0.015546176950594867,0.019843671643931457,-0.018866736119857723,-0.03301568144865063,0.06264543033328596,-0.07132311895477861,-0.13204689068876713,-0.4627046164252468,-0.0380910200244699,0.08510861609861121,-0.1271406428422967,-0.17034050400876932,0.057650457484947744,0.040504554909789055,-0.09835902787933426,-0.2203608885907276,-0.09671591664425762,0.02450311809537973,0.01137509633381122,0.22708004575091476,-0.06577430102284205,-0.22590962903157696,-0.1899830336961043,-0.3878012574643628,0.08159861116207912,0.11247213058900074,-0.2029695911923547,-0.2083013097321715,0.020071705047040138,0.08643849612260249,-0.08750579101421029,-0.013202014287323295,-0.11064995137927273,-0.015201808822330066,-0.22096313559761677,-0.20688188137577027,0.005050120254578448,0.0915376504408839,-0.08721236206970173,0.04266028610344362,-0.10909803263146163,-0.024132698042374872,-0.010394707828004389,0.15452039691290004,-0.04608993542290118,-0.19639838294744588,-0.09391767732451317,-0.37690688583742643,0.06665931642778393,0.09264976111723634,1.6288472691678617,0.9381247263568709,1.1671309221329893,1.622950898520853,1.4177791742371721,1.2840273887804987,0.1370370945832868,0.11527586660823251,1.1246481902981427,1.0479001493265885,0.9084407362298169,1.1471745771638069,1.2163140435388533,1.543847342638781,0.8003424068547261,0.6351923863926396,1.5035364552620794,1.2511185831847833,0.8497221591322034,0.8523501155578362,1.0583326090903449,1.1305268343923265,1.0657512167282206,0.8458342989906513,0.7088758608878613,0.7154961909252359,1.1638415848375392,1.7852320948237317,1.6517850468178925,1.9688099711563882,0.06875112134594127,0.054564382020588324,1.6875178376234876,1.3210761510579963,0.8713441808947942,0.7917634416706482,1.0504319971383846,0.9223189666491228,1.0790242448075154,0.856368448259933,1.7165999771399079,1.3247144860957527,0.8877137586430555,0.8035187516788062,1.0669600655517617,0.8874680188262754,1.0512570898730396,0.8343310237087613,0.5783351708930546,0.5113908729207618,0.9924299102220832,1.7593715545755257,1.9140481440646842,2.3453944071364163,0.07524807056229336,0.06569276001470055,55.244887671459225,27.87244383572961,42.949635877467706,55.644887671459216,5.564488767145921,27.87244383573304,0.49999999999999645,0.07908933288524644,0.007908933288524645,-2.537177269367578,61.14948762498092,6.114948762498092,4.113321483111665,55.26036113356714,27.879446145882266,42.960781150248735,55.659186060125045,5.565918606012506,27.879446145885673,0.4985311581973946,0.0788292625293206,0.00788292625293206,-2.5404709991574217,61.23948404069358,6.123948404069358,4.114792145553037,69.04476215533546,34.12338659960972,53.41378234796599,68.40637099044264,6.840637099044264,34.123386599609724,-0.7979889561160292,0.09165584024356038,0.009165584024356039,-2.389714583392676,53.61794248910899,5.361794248910899,3.981883759992306,55.276601035324816,27.886795317881344,42.97248029199381,55.67419271567511,5.567419271567512,27.886795317884722,0.49698960043787466,0.07855649603365861,0.00785564960336586,-2.5439372183535234,61.33449711217078,6.133449711217078,4.116342443415818,83.76917390279843,40.80229268706003,65.24217550014163,82.03750307985572,8.203750307985572,40.80229268706003,-2.164588528678358,0.18431908022381455,0.018431908022381455,-1.6910868915922341,40.155104313977006,4.015510431397701,3.692749563420067,56.866419671027955,28.606344021392268,44.12653331241191,57.14343436843322,5.714343436843322,28.60634402139386,0.3462683717565831,0.05277016458323691,0.005277016458323691,-2.9418093126905744,74.52361843541446,7.452361843541446,4.311116101122114,54.58495482879083,27.534639465595163,42.815489332570756,55.25692304865984,5.525692304865984,27.53463946560101,1.1751984126984212,0.21438765294090067,0.021438765294090067,-1.539969440338847,46.67490047174086,4.667490047174086,3.843206557057883,0,11.890000000000002,15.995918659282353,-0.3156620243064756,0.2614825706488444,4.193307065240429,7.0165463253945575,9.0,25.0,24.0,24.0,8.0,1.0,1.0,0.0,0.0,1.0,20.365311999999996,3.5600071246919818,3.279433762258464,3.0626644983436413,2.5225114419975165,2.3100602506521684,1.7242157931061428,1.522456939887133,1.2239624942526182,1.844974155521805,1.7525385673596992,1.4696347766570457,1.194911399630952,0.9713029196311238,0.675170488855698,0.6068817713437702,0.38954650980359995,3.4853968614212714,3.2867019196684657,3.0174517427643326,2.508981492641509,2.2803534490454953,1.7508417649316765,1.5210891484270332,1.3198756511549645,1.8120544311776232,1.6955967845041517,1.4420913496215462,1.1334527940631618,0.913703276347759,0.5938687277348542,0.4877296745053262,0.3699246483085653,3.653965141291799,3.4585198319581307,3.2259856285513897,2.7932589139496575,2.5779372482997385,2.137517143345745,1.9578753258889119,1.791587020462206,1.6108188344366996,1.4652013182815804,1.1782424096578297,0.7768266355955811,0.5520290903939336,0.13383437996034167,0.007338809506931283,0.1553984605848125,3.4843992069113017,3.3037678324647075,3.015239808143419,2.524600263418027,2.298114899101558,1.7861188635377578,1.5776077047297816,1.393162597158769,1.8024361214418336,1.657973131232654,1.4271106189843135,1.0897276057062435,0.8772463591022265,0.5378892700705287,0.40707209260643185,0.28772530449894973,3.683317478493765,3.5249191476816204,3.275367653333671,2.8863508606411656,2.6675764279306766,2.273212559907237,2.1183833667156633,1.9792942012308157,1.5688059747896377,1.4012617312755071,1.1269818599325043,0.6857691072131772,0.46121171272768985,0.006836344180671749,0.17243437919243673,0.3333602088140562,4.95938544274135,3.4747792878105064,3.396524453993417,2.96507468410062,2.784695391709284,2.1545683885821583,1.9735579740397204,1.5808578073865165,1.6894023988746658,1.5513381530924357,1.1842371286002433,0.8525890368946657,0.6102732410348062,0.2714186293525595,0.19869108874886074,0.21736303972653398,0,0,1,0,0,3,4,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4927992798267445,0.08333333333333333,0.08838834764831845,0.10059223176554563,7.819990956308912,4.8080604124904465,3.3896287658987125,2.1009536313038994,1.2495092828199457,0.9010475702906076,0.2762929288806348,0.14433756729740646,0.7819990956308912,0.5342289347211607,0.3766254184331903,0.26261920391298743,0.1785013261171351,0.15017459504843458,0.0920976429602116,0.07216878364870323,6.852030486860464,3.9646903780250446,2.324023571050758,1.201628086684584,0.6091805691740823,0.3602350902287421,0.1381464644403174,0.07216878364870323,0.6852030486860464,0.44052115311389384,0.25822484122786205,0.150203510835573,0.08702579559629746,0.060039181704790355,0.0460488214801058,0.036084391824351615,13.764220639120705,25.76402039329934,24.501960784313734,24.879999999999995,15.348914970059875,200.53508263473057,0.5293931015046425,0.9909238612807438,0.9423831070889898,0.9569230769230768,0.5903428834638413,7.712887793643484,2.1298000000000004,40.775000000000006,31.096891815895404,47.678610554658604,62.19378363179082,6.219378363179082,31.09689181589552,1.7208456881689926E-15,1.7208456881689927E-16,-33.9959605457519,3000019.3289432316,300001.93289432314,14.914129289592704,105,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.592916666666667,-0.05212962962962919,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6988888888888893,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.055755385487528,0.0,4.070124244142101,0.0,0.0,0.0,0.0,0.0,0.0,-0.05212962962962919,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.738611111111112,4.854305555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.854305555555555,-0.05212962962962919,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2725,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.993155470521542,0.0,0.5719718442932729,0.0,0.0,0.0,0.0,0.0,0.0,-0.05212962962962919,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.738611111111112,4.854305555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.738611111111112,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.062599914965986,0.0,1.0567708333333332,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.738611111111112,4.854305555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.666666666666664,2.3666666666666663,0.5559027777777779,10.738611111111112,0.17527777777777787,-0.05212962962962919,3.7212364899848827,1.718796296296296,3.7386111111111116,10.311033163265305,1.718796296296296,3.7386111111111116,10.311033163265305,4.66666,0.46667,0.0,0.03333,0.51282,0.85333,0.425,0.51282,0.85333,0.08782,0.0,-0.08782,0.0,0.54687,0.16742,0.0,0.28571,0.10714,0.0,6.75,0.675,5.25,0.525,1.5,0.15,-3.75,-0.375,0.0,0.0,8.34456,0.83446,11.47496,3.1304,0.31304,3.75049,0.37505,4.80805,1.05757,0.10576,0.10595,0.01059,0.10595,0.01059,0.0,9.02,2,2,2,2,0,0,0.875,1.2389012566026307,1.9790978911348054,3.2766108716544045,3.719294525666979,3.8731406795131336,3.4556501805795428,32.2114326716684,51.45654516950494,85.19188266301451,96.70165766734145,100.70165766734148,89.8469046950681,0.2635713530845122,0.42104526593471336,0.6970860319745198,0.7912652323382774,0.8239953944234104,0.7351759383792644,3.4615384615384617,2.7213418270062872,1.4238288464866882,0.9811451924741137,0.8272990386279591,1.2447895375615499,0.2635713530845122,0.42104526593471336,0.6970860319745198,0.7912652323382774,0.8239953944234104,0.7351759383792644,11.26589917459177,20.455559913593248,23.773478104588037,25.065177692974522,24.374675777282214,21.417262639988618,36.565211176569775,22.92976312449921,19.813511383772585,17.34592754426806,17.820030879042452,22.84495856521418,10.0,7.111111111111111,7.0,10,3,5,2.1199999999999997,1.310200000000001,0.12499999999999997,3.144379939350744,0.5,0.0,3.838519496373775,2.4417967096529347,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,4.356000000000001,9.0,8.0,7.0,6.0,3.0,2.0,1.0,0.0,0.0,55.0,2.3978952727983707,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,0.0,4.174387269895637,1.1636363636363636,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.6666666666666666,8.0,0.8888888888888888,0,4.0,8.0,1.0,1.5,0.666666666666667,0.375,0.24000000000000007,0.05555555555555555,0.04081632653061225,0.03125,0.0,0.0,0.0,0.16666666666666666,0.07407407407407411,0.046875,0.034285714285714294,0.009259259259259259,0.01360544217687075,0.015625,0.0,0.0,0.0,0.36039115646258507,31.096891815895404,47.678610554658604,62.19378363179082,6.219378363179082,31.09689181589552,1.7208456881689926E-15,1.7208456881689927E-16,-33.9959605457519,3000019.3289432316,300001.93289432314,14.914129289592704,26.3,161.8683304080556,4.321928094887363,3.6109179126442243,4.2626798770413155,4.962844630259907,5.645446897643238,6.354370040797351,7.048386408721883,7.76004068088038,8.458504195067558,9.17107965802288,76.27427030107873,2.9444389791664403,0.0,4.007333185232471,0.0,5.231108616854587,0.0,6.532334292222349,0.0,7.878155336503324,8.186742787113518,144.115029752,5.542885759692307,18.652466570904146,1.8652466570904145,5.377498209279388,5.377498209279388,0.0,149.0,8.0,2.413,36.0,1.2351999999999999,2.1215824103900878,2.8507836141775846,3.6396171622275566,4.900860598587296,5.81986437188607,7.021706216296821,8.028178288090885,9.294592813223476,10.340636400004351,91.62129166719998,95.93343221094918,98.0554201538523,143.00210632166997,194.9858950617644,149.83041833047574,125.83891589654243,95.20554671798499,46.4373350362041,10.506748383134024,284.10295800329686,319.4930971314934,342.9441440398546,490.2231661341836,670.8265555482366,720.4316440579162,726.4677769045214,659.8437318587652,567.9297982539089,321.42569911091005,9.406569306879998,16.007208380429688,21.286406537716278,28.10166532029439,37.744921805426515,44.89037345040987,49.00901261754154,55.518837940337335,63.77678772089551,69.47319339051884,2.022545399699199,2.472849365900987,2.7106142540402574,3.7113947896799995,5.110650421459953,5.89233307328128,6.7391811656011305,6.566256650009565,6.363675800174816,4.597580387793241,179.56309980875614,336.28214313599585,476.4351717165429,602.3265138056263,801.9395290980524,960.898580164789,1156.4973150817939,1361.1881006995065,1612.6836489447307,1912.1662035252875,3.300023333333333,5.558876622521768,6.534798600029674,9.841314060301695,15.128263275830149,15.638746468008955,10.349126491406448,11.348820956224994,12.630031802809015,10.340636400004351,0.45204840000000013,0.5765006633700813,0.6513055463605978,0.9072086584484113,1.2459774681101927,1.3916284204654077,1.4506458528810178,1.4306176215189494,1.4107227090410541,1.058881167360446,417.8463855183886,351.6137099081069,13.251566058035294,184.75769391239263,-155.4718203676885,-20.246356518484504,233.088691605996,507.0855302757954,33.4979225765198,0.6934011895722403,0.5834904241608196,0.021990501741297033,0.3065988104277594,-0.25799994668895515,-0.03359810729726418,251.79593648878796,211.8838559744166,7.985447765418548,111.33574005783146,-93.68795319009875,-12.200537031648755,0.31069780968134775,0.3750717347465523,1.7587848826546657,3.973561587016014,554.9939545327136,47.61012489806774,0.9209926940039299,0.07900730599606987,710.1477289215646,26.6485971285838,8.921740097531272,865.1403062301667,29.413267520460334,9.528594570049483,1214.187046430176,34.8451868473994,10.668299473743735,2.7661498685468975,2.764467062371439,1343.8104935836154,1281.450221243407,85.74813476590452,1.0486638273624858,15.671600289058953,14.944350973252211,4.800752708619997,5.609821027633518,10.988823550863707,0.9588545689307492,4.475634912546373,6.190062996070936,3.8367744119053357,21.225490804558614,6.627033330984936,1.6800817009473967,5.139357427198615,11.051816114974962,7.707177437357611,1.3750665848551469,6.168971841862545,4.790970659482056,5.885859544266515,0.11157491670267944,4.053745614179516,7.347146702277978,6.683430295494359,1.3309269933824566,1.9811847567749385,0.0566703068597344,2.109082261526925,8.97131348568614E-12,7.859281865099159E-45,1.327961878312976E-99,4.327770838123072E-176,2.72031257572608E-274,0.0,0.0,0.0,0.0,0.39211654491545905,6.340943916997345,0.33074371692959914,5.491054802206755,0.12551597272584003,1.6887659363327785,0.7031906025451997,0.7924274270626837,3.503364951333932,0.11720264170425854,3.911153186184389,0.09961975445476094,0.4339293412701054,0.0021800092856678168,0.04269391934706986,1.6500590195600726,0.2862684141256554,0.1733063853931572,0.014023442413894707,0.004753940484772845,0.014854438817646792,6.318569442169342E-14,5.535356479231667E-47,9.352944090140026E-102,3.0480843874317727E-178,1.9159383897972415E-276,0.0,0.0,0.0,0.0,1.2183825688571561,6.059867195279104,0.8159320884799758,6.561991973606238,0.5817500073292614,1.5126886935699335,1.2248804180178299,1.8684438139867678,2.634031922768138,0.36752569248365863,3.9249870275854195,0.5144474888757103,1.0137366220916684,0.011661581020590301,0.3338582167694457,2.397854609579508,1.1050679574016262,0.4088786638215646,0.1455666341061737,0.01534762098809805,0.15479470531240758,6.584436523005129E-13,5.7682682295872235E-46,9.746488857705663E-101,3.1763389402454553E-177,1.9965555217950385E-275,0.0,0.0,0.0,0.0,4.229749368703224,6.340617585324473,4.09994806777316,21.295040814554973,6.169745408835584,1.7680271226344735,5.141687681456702,11.281936591835802,8.223930027365208,1.31814445899425,6.528718200253298,4.326686526907703,5.363587880500542,0.1003325496962283,3.6215526847974204,6.851525929412853,6.11951701770471,1.2598025981541845,1.7652407785142434,0.05349076587190898,1.8791543240684367,7.993278800323061E-12,7.002478646888563E-45,1.1831901255587962E-99,3.855965901561602E-176,2.4237495297089676E-274,0.0,0.0,0.0,0.0,1.7880899915085886,5.953072815486179,1.0756758619039923,7.602645273305669,1.0904351824417957,1.4512383203455892,1.6267881402717799,2.600567265477344,2.507812480508228,0.5356059076105538,3.998834605038419,0.9565891916060358,1.570012294071691,0.021985297450826207,0.690381871562285,3.034445056180512,1.8117478369906619,0.5708062523827279,0.3160344229020207,0.022620906599342995,0.3362347846330038,1.4302275984014923E-12,1.252944938889456E-45,2.1170676189374538E-100,6.899432621674102E-177,4.33678538632019E-275,0.0,0.0,0.0,0.0,5.405000361478294,6.285574082481744,5.169698852120876,28.321021395318716,9.655270280134637,1.7828225487162848,6.735374294203051,15.43319267151173,10.39715410231406,1.6769520940309615,7.114855904329638,6.787163417411167,8.033971338700779,0.15836117597151347,5.8658763156722005,9.34894352104601,8.966962445072815,1.5945589335346053,2.889179096821442,0.06844414464744246,3.0758982635687753,1.3083817580721165E-11,1.1462023972575833E-44,1.936707595573444E-99,6.3116470366921246E-176,3.967320232441931E-274,0.0,0.0,0.0,0.0,2.8369193715907315,6.278774352242719,3.285980215829819,19.95339435791964,4.051307975186492,1.7529921702032687,4.119884557320185,12.270843946244995,14.050949019115777,0.9734461079657324,6.5043525201731445,1.9558735628127466,2.633971430857454,0.04746954442128931,1.5304846767815397,4.7799732900433,3.0416339559772982,1.0307096444605255,0.7316862622867742,0.04183250543005662,0.7786132880240402,3.311954217436447E-12,2.9014237169024934E-45,4.902458208032522E-100,1.5976901155320554E-176,1.004262165433887E-274,0.0,0.0,0.0,0.0,12.26186796908633,0.7826765906874831,0.44627447307692314,0.9089046364959862,0.05801549844984439,0.5978799730299926,0.5424091800913121,0.5384444906629211,13.490819032850736,15.418524267446044,33.19227378936227,0.8633569547439792,1.6787336437842257,8.82420654555266,0.522328602408312,0.08110142836617798,0.9359934989125794,0.05540398149414056,0.3095916473222272,0.2412051231687621,0.01778254236791371,9.42763657632715,5.367152823075121,15.168596869739082,0.9039902483688691,0.568579312858903,10.789238087427638,0.5618809573973627,0.22837841761227312,0.93175356896332,0.04852377741089784,0.46287121196526004,0.2794934956810415,0.14100904291067073,11.579497462437274,8.654618031737602,21.618606536101883,0.8976303534449799,0.8833737505569723,11.887942307133422,0.7873853588000883,0.42510501059535255,0.9074465401766633,0.06010376742829205,0.5619598524546073,0.5489285287263158,0.4885728096445596,13.100432676528863,14.748737020623228,31.82831911799045,0.8611698102649948,1.5994611908254828,11.59864629331529,0.6008658987025659,0.30183686014068845,0.927791572327357,0.048064084619636904,0.5349462398168177,0.31967333294049394,0.246309631681815,12.501349052158545,10.651493484052795,25.25641334752915,0.8916873584910354,1.1009292044391266,12.357290220830365,0.816116122219134,0.47114842818901886,0.9056572697321286,0.059812587211671625,0.6072220787222944,0.5897484615015542,0.6001396754266002,13.644554771238518,16.291613468583524,34.687692494271815,0.858485904598193,1.7971102156504488,11.972924236174308,0.796961676925918,0.4282941233447978,0.9071647911388286,0.06038421015058243,0.5700301912900577,0.5623809287618899,0.495930794971363,13.198180036445024,15.011228869332784,32.296175060034074,0.8607471867082429,1.6283419150233107 +UMLCN0178,L,2-ethoxyethyl ether,CCOCCOCCOCC,Ethers,,C8H18O3,NREL (2014),Other Ignition Delay Method,PubChem,,123,0,0.2895000000000003,0.08381025000000018,43.687099999999994,28.488273999999972,0,0,29,11,18,0,8,0,3,0,0,0.0,0.0,0.0,0.0,0.0,1940.306122999998,1947.9680019999994,2009.4205529999979,1768.9049519999974,1528.4253749999984,1384.149157999997,1107.408132999998,898.9123159999999,734.4922270000003,4596.8149446444495,5575.7037141215815,6509.355313049013,6120.588078246051,5837.625672355916,5190.7183300589795,4145.827532075378,3766.421857767082,3126.071480726635,221.31162800000013,218.48274400000008,405.21781199999987,424.3237439999997,328.437084,418.7497519999998,302.6619400000001,217.01388800000012,271.0385560000002,32.24384428728197,39.23543758000002,48.199108270188034,47.76134962098005,48.01156691818806,43.25208556377206,33.16864481758398,31.85718081879201,27.634353140979975,4899.226442563982,4183.4432536822005,8497.872042236988,9260.072194930879,7193.95444675639,9669.846164068773,6728.134291215185,4795.822444036193,6403.796637318581,76.25,72.0,124.75,126.5,82.25,108.0,85.75,53.5,67.25,66.9071076896551,69.57028578571426,39.40040299999996,32.75749911111106,33.9650083333333,24.716949249999946,28.395080333333283,29.963743866666665,19.85114127027028,158.51086016015344,199.1322755043422,127.63441790292181,113.34422367122316,129.7250149412426,92.6913987510532,106.30327005321483,125.54739525890274,84.48841839801716,7.631435448275867,7.8029551428571455,7.945447294117645,7.857847111111106,7.298601866666667,7.477674142857139,7.760562564102566,7.233796266666671,7.325366378378384,1.1118566995614474,1.4012656278571434,0.9450805543174124,0.8844694374255565,1.066923709293068,0.772358670781644,0.8504780722457431,1.061906027293067,0.746874409215675,168.93884284703387,149.40868763150715,166.6249420046468,171.4828184246459,159.86565437236422,172.67582435837093,172.51626387731244,159.86074813453976,173.07558479239407,2.6293103448275863,2.5714285714285716,2.446078431372549,2.3425925925925926,1.8277777777777777,1.9285714285714286,2.198717948717949,1.7833333333333334,1.8175675675675675,0.4992334363668807,-0.0970201730299892,-0.27130206056672906,0.14780024378635706,0.012659532467917477,-0.09981898784009878,0.05562765481839203,0.014015058745431214,-0.006365672687339223,1032.7803146896554,35.59518898929747,-325.80841776456634,-136.9636548014268,-122.15593513912015,144.58418211652864,-103.12209568608785,-145.56775423067785,110.20050587871636,1301.7678542252497,-273.0823460193772,-308.4541846496852,246.68697673489504,-545.1652997862989,210.45472275479204,214.18635873485044,-423.8568943240392,109.01060914829603,2.900200551724139,0.004505950059453929,-1.3799645564803773,0.17597690368609034,0.2779820404280603,-0.45630175505350756,-0.18900322473245965,0.18414949821640775,-0.08965366944114203,5.654980806624205,-2.3628987180916314,-1.3136018165596028,2.931963921080298,-3.291706719967138,0.40050703304235014,2.2021272046720606,-2.2586920658926206,0.08599000343207408,31.747304417134526,-14.863924285188034,-7.66417560416747,19.272880278902477,-19.24972553776608,0.9790244064397301,14.088715645075455,-12.810992274162029,-0.29983108127414426,16.862068965517246,-0.8840665873959583,-6.929845422116527,-0.4673008323424525,1.2485136741973846,-0.5612366230677748,-1.8145065398335314,0.453032104637337,1.3483947681331752,0.017214946081616576,-0.0034650061796424715,-0.005319648246406452,0.0027370415515992046,2.813229437314995E-4,-0.0017824819257160496,0.0014263501235485137,4.671686248477071E-4,-1.7204520776592494E-4,35.613114299643286,1.2712567496177667,-6.38840034832483,-2.5363639778042,-2.714576336424892,2.5818603949380114,-2.644156299643278,-4.852258474355929,2.978392050776118,44.888546697422406,-9.752940929263472,-6.048121267640886,4.568277346942501,-12.11478443969553,3.758120049192715,5.491957916278216,-14.12856314413464,2.946232679683676,0.10000691557669446,1.609267878376403E-4,-0.02705812855843877,0.0032588315497424137,0.006177378676179118,-0.008148245625955492,-0.00484623653160153,0.0061383166072135915,-0.002423072147057893,0.19499933815945533,-0.08438923993184398,-0.02575689836391378,0.05429562816815366,-0.07314903822149195,0.007151911304327681,0.056464800119796425,-0.07528973552975401,0.002324054146812813,1.0947346350736042,-0.5308544387567155,-0.15027795302289157,0.35690519035004586,-0.427771678617024,0.017482578686423753,0.36124911910449886,-0.42703307580540095,-0.008103542737139034,0.5814506539833533,-0.0315738066927128,-0.13587932200228484,-0.008653719117452824,0.027744748315497433,-0.010022082554781693,-0.04652580871368029,0.0151010701545779,0.03644310184143717,-0.2012789446574374,-0.3090133550918975,0.1589921652163654,0.016341784772240294,-0.10354269582171499,0.08285533493896205,0.02713738530651485,-0.009993944038526374,0.03569630948087289,-0.17938336688484496,-0.07121994320585451,-0.07622406492127767,0.07249746183988948,-0.07424670241966912,-0.1362492039738443,0.08363188980655788,-0.2172701423150219,-0.13473640188017452,0.10176933055408588,-0.2698858691362175,0.08372113435805473,0.12234652980185647,-0.3147476179028521,0.06563439666566115,0.0016091565959178782,-0.2705625746220332,0.03258606198331598,0.06176951504360454,-0.08147682166746431,-0.04845901409573013,0.06137892136575464,-0.02422904589232791,-0.43276680181774263,-0.13208710658726333,0.27844006385167785,-0.3751245461237224,0.036676592709660394,0.2895640603334966,-0.3861025182977181,0.011918266845154016,-0.4849160899353692,-0.13727340691361944,0.3260198215305844,-0.39075376343442614,0.015969695418696892,0.32998784137327525,-0.3900790768136147,-0.007402289538956803,-0.054301782062518324,-0.23369020409799904,-0.014882981140649947,0.04771642808452625,-0.01723634238971657,-0.08001677940328245,0.02597137014314931,0.06267617310562097,1.2049918915735165,1.8409978614643272,1.3186277578607064,0.5218182528913206,1.104773409946013,1.2744354399408213,0.40860320565462094,0.7947513875043313,1.1012085501859656,1.3213757872813903,1.1544921504460852,0.9673706057874327,0.8608755655525525,1.1177596000501524,0.9990491962885479,0.7845377889333781,1.6358467738523994,1.1092748673427786,0.7707050393366274,1.4318221860988705,0.759958189685678,0.7267609317047711,1.4773927339694433,0.7714134867652491,0.9264311043602498,1.7896612244634633,1.4369485960664379,0.4199143168252077,1.0906687118997807,1.4194805438413123,0.3340162571714024,0.8346533320307782,2.001437485054426,1.1094773617863523,0.565422041197082,1.6053898035692187,0.7625969053012353,0.522701678867933,1.6193087190213453,0.7791218362874147,2.075110646180875,1.139316322325754,0.5357799181839953,1.6108169911993517,0.7778281902775271,0.4945689762518202,1.6099147181050046,0.7840979695262048,0.9933537832310836,1.6768114198644688,1.3991517079451636,0.47970915700977035,1.023006134969325,1.3837764144512605,0.44280845262440344,0.7853866136074722,69.13399067928398,34.941995339642006,55.452485098026024,69.74762704292037,6.340693367538215,34.941995339642006,0.7500000000000213,4.440892098500626E-16,4.0371746350005693E-17,-38.88555682941294,2000030.2263514304,181820.92966831184,15.959540136744307,69.17550388035247,34.96165030882428,55.48436723110158,69.78733757450382,6.344303415863984,34.96165030882428,0.7477967372961061,4.996003610813204E-16,4.5418214643756407E-17,-38.75599549019091,2000030.2251723257,181820.92956112052,15.959540136095809,105.8806427843371,52.341829675081485,83.73360795373064,104.90129270183098,9.536481154711907,52.341829675081485,-1.196983434174129,3.885780586188048E-16,3.532527805625498E-17,-39.03244136129991,2000029.7964288024,181820.8905844366,15.959539900290409,69.21907247318958,34.982278436923195,55.51782815963165,69.82901425554513,6.348092205049559,34.982278436923195,0.7454844006568138,4.996003610813204E-16,4.5418214643756407E-17,-38.75599549019091,2000030.223938172,181820.92944892473,15.959540135417035,144.6372144554693,70.69516583122589,113.62173686642254,141.980673988455,12.907333998950453,70.69516583122589,-3.2468827930175195,7.216449660063518E-16,6.560408781875925E-17,-38.35149823205307,2000029.7456790183,181820.88597081986,15.959539872378443,73.48005068977103,36.99972662370295,58.79146755074793,73.90501641874499,6.718637856249545,36.99972662370295,0.5194025576348622,1.8318679906315083E-15,1.6653345369377348E-16,-37.32678420764763,2000030.1180770881,181820.91982518983,15.959540077194315,57.67458339892217,29.57836312803252,47.20341617491428,58.88724573658452,5.353385976053138,29.57836312803337,1.4821428571428754,1.6653345369377348E-16,1.5139404881252134E-17,-39.96446900772584,2000030.7908023428,181820.98098203118,15.959540447187573,0,11.889999999999999,15.996920677391014,-0.3795732044344313,0.11972821510985622,4.660914751960242,6.167711351224473,10.0,28.0,28.0,28.0,10.0,0.0,0.0,0.0,0.0,0.0,25.425725999999994,3.453129638055728,3.302770305686802,3.072694860672032,2.827721512331139,2.317021638825562,1.9912508485167302,1.6997197909761992,1.5134441855050518,1.7319854838195983,1.6802722801958232,1.5762792281260023,1.4456138780936638,0.9163324653441005,0.8631684952591171,0.7618692676305913,0.6906939996661554,3.345984568417198,3.2229694197988943,3.043924967231179,2.8672275325756904,2.1748657090648087,1.9586448485730403,1.7481798081823885,1.605528076789464,1.7482811936388842,1.6605615969381722,1.5247698220944992,1.3702728264095911,0.8825093599820072,0.7705053088172734,0.6410282159926088,0.5525016589130658,3.5768356277219584,3.4512880804948707,3.263892830810164,3.0673204369496414,2.5532320400325963,2.334591760476835,2.135665089096842,2.0065489795609657,1.4836753679814532,1.3907484833561452,1.2499868420030646,1.0968355239068983,0.45039881956852473,0.32640020299642203,0.1798612113617116,0.07470079026225954,3.328180044535526,3.2183700855130977,3.058637489969375,2.8977324791071966,2.1589283393038716,1.9854446006324302,1.80292335411227,1.673743699358026,1.755781899249611,1.65030339026047,1.491887364170418,1.3183628247373274,0.864534402730593,0.7099390091705188,0.5588461932460108,0.4593180626395013,3.604732130343093,3.495011752884984,3.3316922994507085,3.1576973407130886,2.6226894781062433,2.4561947517166067,2.290939004870598,2.1798747651560992,1.4469882659112236,1.3383864457161958,1.1784210123718675,1.0124661035950808,0.36535918194395,0.19950576450715768,0.02696383136729289,0.09302965989436025,3.7376180837531656,3.6006444815563894,3.3696559860726896,3.003083207409037,2.7605458546632087,2.3560957525736614,2.020280818707811,1.7919449437176251,1.5093623054780336,1.4190253291978288,1.3089875325442712,1.220967570421508,0.5279653830105318,0.46923104805485555,0.38310130377137774,0.3141007684327181,0,0,0,0,0,8,0,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.36396103067893,5.414213562373096,3.474873734152917,2.2071067811865475,1.3838834764831844,0.8535533905932737,0.5151650429449552,0.30177669529663687,0.7603600936980844,0.5414213562373096,0.3860970815725463,0.27588834764831843,0.19769763949759778,0.1422588984322123,0.10303300858899105,0.07544417382415922,7.467385558510875,4.146264369941973,2.0062192858131467,1.1522652263201556,0.6264394676062945,0.2845177968644246,0.1592692438682066,0.08298182631511337,0.6788532325918978,0.41462643699419727,0.22291325397923853,0.14403315329001945,0.08949135251518493,0.04741963281073743,0.03185384877364132,0.020745456578778344,15.020847547323433,28.98252002913328,27.576470588235303,28.039999999999992,16.627708982035927,224.9751640718563,0.5179602602525322,0.9993972423839061,0.9509127789046656,0.9668965517241377,0.5733692752426182,7.757764278339873,1.076,43.80500000000001,41.63839022652778,66.32546526588186,83.27678045305557,7.570616404823234,41.63839022652778,5.551115123125783E-17,5.046468293750712E-18,-41.17294252526076,2000029.9561581695,181820.90510528814,15.959539988140248,150,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.336203703703703,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.093719135802469,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.9448294595616025,0.0,4.218966836734694,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.336203703703703,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.074212962962963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3512345679012346,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9724147297808012,0.0,0.6675736961451247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.074212962962963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.187777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6011111111111112,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9724147297808012,0.0,0.75875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.187777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.5,2.1363636363636362,0.6011111111111112,5.187777777777778,0.14222222222222214,0.6675736961451247,3.7377083418367345,0.8324263038548753,1.687777777777778,9.672407407407409,0.8324263038548753,1.687777777777778,9.672407407407409,4.99999,0.45454,0.0,0.04546,0.53103,0.90909,0.42571,0.53103,0.90909,0.10532,0.0,-0.10532,0.0,0.5,0.21429,0.0,0.2,0.0,0.0,6.5,0.59091,6.5,0.59091,0.0,0.0,-6.5,-0.59091,0.0,0.0,8.86221,0.80566,12.33112,3.46891,0.31536,3.85376,0.35034,5.41421,1.56046,0.14186,-2.1E-4,-2.0E-5,-2.1E-4,-2.0E-5,0.0,10.03,3,3,3,3,0,0,1.0,1.2782038389853276,1.5020047009050883,2.2619736670191486,2.7369542708404366,2.8748853053231955,3.012816339805954,37.0679113305745,43.55813632624756,65.59723634355531,79.37167385437266,83.37167385437267,87.37167385437266,0.26311421149389685,0.30918291002199466,0.46562011446480517,0.5633933672415619,0.5917860337878287,0.6201787003340955,3.579777156142245,3.3559762942224847,2.596007328108424,2.121026724287136,1.9830956898043772,1.8451646553216188,0.2658850573151028,0.3124389035669979,0.470523542299847,0.5693264415078778,0.5980181101529136,0.6267097787979494,11.996656917405074,14.682267260442204,17.536610969479064,19.43902368413103,21.094196097924133,19.71704438261379,40.41559226483703,35.936241800901165,33.11551461685473,29.942608569390003,26.867329680902987,28.99587091959406,11.0,10.0,10.0,11,0,2,2.01,1.4119000000000008,0.09999999999999998,2.9494140068873245,0.0,0.0,4.913150784333892,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7937005259840998,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.718,0.742,0.6819999999999999,0.08200000000000002,4.845999999999999,9.0,8.0,7.0,6.0,5.0,4.0,3.0,2.0,1.0,66.0,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,4.204692619390966,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.8,10.0,1.0,0,5.0,10.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.0,0.05,0.02469135802469137,0.015625,0.01142857142857143,0.009259259259259259,0.00816326530612245,0.0078125,0.008230452674897117,0.010000000000000002,0.0,0.14521040669354163,41.63839022652778,66.32546526588186,83.27678045305557,7.570616404823234,41.63839022652778,5.551115123125783E-17,5.046468293750712E-18,-41.17294252526076,2000029.9561581695,181820.90510528814,15.959539988140248,27.69,173.29501580941673,4.459431618637298,3.6635616461296463,4.290459441148391,4.9344739331306915,5.579729825986222,6.2324480165505225,6.884486652042782,7.5406215286571525,8.195609567288775,8.853236764745898,77.17462737568007,3.044522437723423,0.0,4.04305126783455,0.0,5.176149732573829,0.0,6.371611847231857,0.0,7.601402334583733,7.954372272531867,162.125594436,5.590537739172413,20.82876222801817,1.8935238389107427,8.665918672290907,8.665918672290907,0.0,220.0,8.0,0.48600000000000004,38.0,1.2334999999999998,2.089270396778629,2.8116308958076366,3.6691949881355064,4.705548037473334,5.833213312530083,7.02631772780706,7.8675563527303405,9.236856351133797,10.394308483516433,97.78192505685709,89.96319280272878,110.64588077479723,152.3926591801045,139.05849998690528,191.61261632985213,237.14237230771522,179.15330678115905,188.24707920981578,201.52371358075106,265.1878181887748,281.1587297784959,350.8814989738148,539.3772937695902,480.5734176816028,678.758336099448,939.8840767379198,717.862459747824,882.252885212521,1227.3148082892521,9.747731970285715,16.698125435773548,22.266893190692343,27.17797494816804,35.53222447591729,45.8508024023668,51.166357588341114,58.108368219231245,70.04338448475279,73.32989763177672,1.8059019138049996,2.045435727055738,2.6452220715362214,4.259216058386359,3.8487274088398564,5.267812619202923,7.763529653652032,6.158347572997221,7.405475339520301,11.233517332578648,183.21472917169635,345.56416241923216,479.459945478121,574.8508134683448,805.3800722446048,998.710806692763,1114.0330934947967,1351.2629623414791,1608.8754478505377,1649.3457200768,3.3408749999999996,5.2706139685404905,6.946521422821833,7.2728195022353175,9.605437779747984,13.612425572728917,13.041331148600303,15.042058463123604,17.79747137913297,17.71759694974678,0.43830964285714297,0.5347888086944707,0.6607274786119194,0.9886432931105269,0.9766534134718385,1.31321118484713,1.7666950739177705,1.5196567588021659,1.8076818277138977,2.407250630618181,542.7041095217172,660.0602033738962,22.888437161536125,127.59386303629528,-155.18517311250963,-20.292050739468525,415.11024648542195,815.2453764864058,43.18048790100465,0.8096460555454651,0.9847265401310308,0.03414666028928678,0.1903539444545349,-0.23151669774605915,-0.030273179347431643,363.7734643113086,442.437016087752,15.342073024399134,85.52590770407346,-104.0203069083794,-13.60172046971007,0.05804336647360107,0.3112643858108661,0.041983868840409284,6.53310430424805,625.7285493744614,44.56942318355104,0.9335080441710665,0.0664919558289335,834.4056699924275,28.886080903999897,9.414394988407524,1008.7723194646048,31.761176292206258,10.029155975177673,1356.4676641366432,36.830254738959425,11.069716072665203,3.3540731964274877,3.3540731964274877,2268.0514393598282,2236.0986922416723,58.669842629359664,1.0142895066434314,38.65787494416844,38.11325532894271,5.086908269513279,6.532300221295252,13.00664030359627,0.9911271470950948,5.020210536989259,6.090715272946488,11.478822518408046,16.22237278953682,6.626179515697959,3.562282232771414,11.919723939542603,15.630224522975722,2.6182224547602955,3.570165141274103,12.422505181645693,4.0310122528094645,17.56068088223056,3.225171891489242,0.978663468075152,3.4161312829425983,5.96515393067691,0.19141700728319566,3.58502627849787,7.706479841206239,4.121959595167048,0.8219842668824149,3.04836315038767,0.14961704024804648,2.4363382175648054,5.3720240005389856E-11,2.7953505953914485E-43,2.8055031995894454E-97,5.430766823936666E-173,2.02762412105396E-270,0.42131220076337705,6.8528252046729445,1.172751807784808,2.1780966548873235,0.21156374824564111,4.476651540189203,0.7787926253363426,1.8531085207686797,0.19073786870645296,0.12919466989005926,2.8571828137707644,0.40708017554971326,6.069957107747493,0.0912147343309534,0.4518865466653579,0.22786813826429636,0.24720047476887688,0.14464933007559333,0.40075838901366934,2.2320120734188813,0.12656094092397152,0.09534930923848244,0.021540850655604484,0.012556220726399175,0.01715932927419817,3.7835604280870674E-13,1.9687882805980686E-45,1.9759388427477754E-99,3.824933478918424E-175,1.4280722473847611E-272,1.3600450802028012,5.4354204489224625,2.1937324052747535,4.048292818415879,0.6756354609062608,2.949977295409048,2.6600203267671856,2.32571113011068,0.63276961366791,0.5290499804973536,3.48589872357873,0.7323479913214022,6.901664083653223,0.4126980512025879,0.3887400608523284,0.7668158318225069,0.7550245570852968,0.08470433003764,0.6942489769387014,2.930091971196328,0.5531010268642212,0.24316156330578342,0.2238183340628615,0.04053307746313184,0.17881344094955579,3.9427616801090675E-12,2.051629182757499E-44,2.0590806198287334E-98,3.9858755889543276E-174,1.4881613867239397E-271,4.73866945472792,6.850021201624764,13.819964810774216,15.677524020032106,6.478496066509499,4.495109265010175,11.098698359696048,14.583143543456456,2.4513798956984068,3.2525050534707374,12.42666090220849,4.907953579470552,17.337539258468745,2.9207361162912577,1.0400372410511343,3.182955052322519,5.840122162339694,0.21820042212857588,4.502876908795117,7.222975622027593,3.739746730619311,0.7773199752541075,2.7160513731776317,0.14122621192060691,2.1707334891316874,4.7863766690180296E-11,2.4906070542806373E-43,2.4996528418382117E-97,4.8387154670864474E-173,1.8065765874421159E-270,2.0044558816526057,4.896801474139114,2.3654295113165658,5.588677937315218,1.1072508519312887,2.613557625665212,4.068076565212592,3.367447819705766,0.9519140081831677,0.8933587862769127,4.28506995360229,0.7629302618222374,8.157983149787393,0.7278736080220354,0.4026502283879096,1.1695971381525074,1.183215908177302,0.06698148475312932,0.687456868825005,3.533823258495327,0.9614113454805251,0.34478130277512525,0.4860642900013999,0.059738365562797095,0.38840668797953426,8.564205227143979E-12,4.456412737238243E-44,4.4725982542673714E-98,8.65785439832213E-174,3.232485389951958E-271,6.062631266175179,6.57172906610893,16.531810216283915,20.620367123025154,9.666970444366832,4.128658091291793,15.117420075294648,21.99511804025527,3.260143054320876,4.86789260261596,15.889828072974288,5.882455819421749,21.613254144576995,4.48018345375446,1.1969916064602506,4.330632834878612,8.507648943854793,0.25049407508700144,5.2359227007129405,9.665131366388847,5.693376044052467,0.9875606616703319,4.44568504083109,0.18068457251553766,3.5531703194205457,7.83459213352106E-11,4.076756131932758E-43,4.0915627509978245E-97,7.920263020703639E-173,2.9570992212531205E-270,3.1685754783797453,8.337294941331313,13.731509790781791,10.487254699163238,3.99974021188598,7.838896032829208,6.400133006542305,8.286483898273687,1.6258880757098766,1.6079509683075965,9.875159117170256,4.941341041796769,15.270077669695779,1.3900757348958197,0.9793633136424794,2.2821337915981776,3.6624741323473646,0.31812612238162696,4.751631481460791,5.415762278101472,1.801186335902972,0.6431890907535491,1.1545359746593014,0.1133189191012292,0.9226369581310507,2.0343759528668348E-11,1.0585943083139216E-43,1.0624390815013286E-97,2.0566217558103354E-173,7.678576553103755E-271,16.77951611155114,0.724258213576795,0.4570630448275862,0.9342279408208178,0.04032430107007804,0.5750859235704926,0.5518831352798907,0.5517080751577166,17.96083736995552,20.153030752652977,43.66841926781495,0.9013419112312268,1.6786771340081,13.710666893981037,0.2808318070187914,0.08235806746266072,0.9741940052072074,0.019954147014491122,0.3839644636271001,0.08297606849437994,0.017913045059182717,14.073856768462488,5.002704153190089,19.393671712976932,0.9612910078108111,0.4848535771806628,15.53622135956525,0.46971568215422366,0.2390622261733688,0.9563694712053052,0.028914478505553728,0.4930201544013069,0.2321295260425878,0.15093120608134722,16.244999267892844,11.124021755191453,29.113603153778808,0.934554206807958,0.876080886525242,16.41301581787269,0.6932252755348207,0.4316904349207148,0.9358581307813575,0.03952719705941863,0.5502380870427361,0.5056023021931364,0.4921550839078342,17.537931528328226,18.762518070173858,41.212187714883456,0.9037871961720362,1.5479954731437067,16.30027060776282,0.564199123356651,0.3182850589360326,0.9486412863900368,0.03283519611670071,0.5427045982070324,0.334907658382336,0.2675405578348991,17.182754790055505,14.564307129670265,34.67420177946275,0.9229619295850551,1.1451528144242675,16.83886020936658,0.7503001409960897,0.47974697298147245,0.9319246542158971,0.041524378180120426,0.5791609285022224,0.5922844365128882,0.6078292705523342,18.068907323344142,21.072545624673417,45.20267176512978,0.8978869813238456,1.779274635567445,16.63779597362814,0.7056388630245838,0.4416788965668124,0.9354899959144818,0.03967581391996226,0.5654125724174369,0.5238720734897131,0.5151935556929228,17.78511373321954,19.40050459539715,42.3710502277254,0.9032349938717228,1.604478201600073 +UMLCN0179,L,tetrahydrofurfuryl acetate,CC(=O)OCC1CCCO1,Esters,Cyclic Ethers,C7H12O3,Marquardt (2015),IQT,PubChem,,18.2,0,-0.8385000000000007,0.7030822500000011,31.980700000000002,22.727515999999984,0,0,22,10,12,0,7,0,3,0,0,0.0,0.0,0.0,0.0,0.0,1789.9456179999986,1827.4256059999993,2423.840444000001,1632.9095349999982,1303.3841659999985,1240.5907259999985,865.5031639999997,191.67523200000002,12.192768000000001,3986.7955763095447,5008.071415571978,6728.5291406085935,5790.8853813438445,4365.323896662235,3626.0607597474605,2988.4417414050954,1661.9231527926352,373.00493317116315,173.46032800000003,173.28358400000002,326.642432,381.2104119999999,273.36965600000025,240.16116000000022,166.71872000000005,149.37177600000004,80.62156799999998,26.78726685818798,34.003731720000005,47.34012753394303,44.581531636188046,33.99920714218801,27.268270457885983,22.286057434546994,15.942192473094003,5.335354858188001,3662.9261743284887,3238.1589950798007,6562.911295512294,8075.683551739839,5970.426624896189,5306.024809000137,3419.052637979597,3381.4684960590944,2219.011824290988,103.05555555555554,63.833333333333336,126.74999999999997,129.38888888888886,86.0,94.33333333333333,69.66666666666666,51.0,12.0,81.36116445454539,83.06480027272724,59.118059609756116,34.0189486458333,36.20511572222218,40.01905567741931,41.21443638095237,9.5837616,1.016064,181.21798074134293,227.63960979872627,164.11046684411204,120.64344544466343,121.25899712950653,116.96970192733744,142.30674959071882,83.09615763963176,31.083744430930263,7.884560363636365,7.876526545454547,7.9668885853658535,7.941883583333332,7.593601555555562,7.747134193548394,7.938986666666669,7.468588800000002,6.718463999999998,1.2176030390085446,1.5456241690909094,1.1546372569254397,0.928781909087251,0.9444224206163336,0.8796216276737414,1.0612408302165235,0.7971096236547002,0.4446129048490001,166.49664428765857,147.18904523090004,160.07100720761693,168.2434073279133,165.84518402489414,171.16209061290763,162.8120303799808,169.07342480295472,184.917652024249,4.684343434343433,2.901515151515152,3.0914634146341458,2.695601851851851,2.388888888888889,3.043010752688172,3.317460317460317,2.55,1.0,0.4179840698398275,-0.19470053922915853,0.0024666995660528844,0.03078272206432429,-0.1114555908025879,0.08940046554843321,-0.008789534719561006,-0.033756758742957506,0.017060501395540696,845.1733952727269,43.5315578181812,-13.66498000826493,-484.6874249586787,1.55885319008285,268.6990539338846,-279.34544430578524,-327.66681006611543,368.9884967603313,1029.0102845406532,-105.46536280251007,-178.2961559808521,-285.7210733729995,-123.94771210610077,396.89857218374294,-254.39197586618238,-398.4305561255875,434.8491218001639,2.7231032727272737,-0.07230981818181734,0.1070591735537216,-0.9222940495867737,-0.2493537190082664,0.42023193388429686,-0.7251611239669404,-0.3705098842975224,0.45078585123966447,4.591802614085454,-1.1554251010909014,-1.2330387419917064,0.20442934459518758,-1.1576740000031074,1.6898753005154021,-0.7222544391623871,-1.289819221762233,1.3680055518570204,26.180599626471793,-7.530003189681876,-7.418062641034501,3.335564812509054,-7.482227151194413,9.209571424173275,-3.5149889187448298,-6.284122783454357,6.593968634191765,40.828282828282795,-0.6363636363636358,9.787190082644624,-13.463728191000918,-5.862947658402207,7.668732782369145,-11.646694214876034,-11.83884297520661,5.578512396694215,0.01899927590181034,-0.008850024510416298,6.016340405007035E-5,6.413067096734227E-4,-0.00309598863340522,0.0028838859854333296,-4.185492723600479E-4,-0.0016878379371478753,0.0014217084496283914,38.416972512396676,1.9787071735536907,-0.3332921953235349,-10.09765468663914,0.043301477502301386,8.667711417222085,-13.302164014561201,-16.38334050330577,30.749041396694277,46.773194751847875,-4.793880127386822,-4.348686731240295,-5.95252236193749,-3.4429920029472436,12.803179747862675,-12.113903612675351,-19.921527806279375,36.237426816680326,0.12377742148760335,-0.0032868099173553335,0.0026111993549688198,-0.01921445936639112,-0.006926492194674066,0.013555868834977319,-0.03453148209366383,-0.01852549421487612,0.03756548760330537,0.2087183006402479,-0.052519322776859154,-0.030074115658334302,0.004258944679066408,-0.03215761111119743,0.05451210646823878,-0.03439306853154224,-0.06449096108811166,0.11400046265475171,1.190027255748718,-0.3422728722582671,-0.18092835709840246,0.06949093359393863,-0.2078396430887337,0.29708294916687983,-0.16738042470213474,-0.3142061391727179,0.5494973861826471,1.855831037649218,-0.028925619834710717,0.23871195323523475,-0.2804943373125191,-0.16285965717783907,0.2473784768506176,-0.5546044864226682,-0.5919421487603305,0.46487603305785125,-0.46580851586944033,0.0031666156310903248,0.03375427110947507,-0.16295298038754305,0.15178925767157997,-0.02202974863479753,-0.08883696125424707,0.07482961229553618,0.05150606734862272,-0.008675649681035789,-0.2628435825696768,0.0011271444538824224,0.22562192828768907,-0.34625747800060924,-0.42646099970576995,0.8004025144556081,-0.1024920395713921,-0.09297390854552416,-0.12726354044273025,-0.07361036639070331,0.2737289983245555,-0.25899243523870613,-0.42591762038004327,0.7747477376504989,-0.026554196054928456,0.021095926248797636,-0.15523396056780436,-0.05595925421154272,0.10951810655011081,-0.2789804608841545,-0.1496677987974689,0.3034922456117545,-0.25162778067737707,-0.14408950037481763,0.020405228798825992,-0.15407183276479955,0.261175499709521,-0.16478223723574195,-0.30898565621837776,0.5461929418984959,-0.2876176748094081,-0.15203715395961206,0.05839440505101515,-0.1746511620508803,0.2496438192753552,-0.14065259757166285,-0.2640327250110182,0.46175193343527676,-0.015586343394359227,0.12862806386599251,-0.15114217384133277,-0.08775564901863775,0.13329795214761148,-0.2988442779387859,-0.31896338446313727,0.2504948045522021,1.4071841653634947,1.165570030335516,1.146958930909227,0.9377777296211545,0.8859949771106199,1.2350753007967248,0.4977264153061089,0.0068830212466630125,0.865303056798841,0.9930296804230696,1.2657346626470067,0.9170813984269909,0.7541676274615456,1.3281610534342188,1.3104171564612659,0.0,1.3329052003206792,1.1077774737871853,1.0109912445219873,1.0270213471896592,0.604634552807446,1.220726560532062,1.318896601179154,0.0,0.7723904304901328,1.0334904294368155,1.3407553843315654,0.8719952062713473,0.924226163410234,1.3773976321667225,0.9154927853702737,0.0,1.6468499695190824,1.2114493916514881,0.8502313204371957,1.0910504375970582,0.5633207110461755,1.160336378048816,1.159047524846656,0.0,1.7026447211736788,1.2353963971776252,0.823791048241399,1.1004009954688347,0.5682296335566654,1.1520382908322107,1.0963117474849116,0.0,0.5818901533894116,0.5758551972580592,1.1194837023750628,0.9546815726538024,0.898267785031365,1.913842157347849,1.9223806284017828,0.0,45.02404916392494,22.88702458196247,35.911211690129875,45.62404916392494,4.562404916392494,22.8870245825134,0.7500000000000036,0.023627013952623566,0.0023627013952623567,-3.745364562563725,45.06670935282144,4.506670935282144,3.808143822118296,45.04660966142319,22.897203199359645,35.928175879467034,45.64484705126006,4.564484705126007,22.897203199904716,0.7477967372961025,0.02376412578682502,0.0023764125786825017,-3.7395781553354643,45.08623997604308,4.5086239976043085,3.808577099646598,65.3134355679309,32.05822606687841,51.37130575345458,64.35584882059163,6.435584882059164,32.058226066878454,-1.1969834341740722,0.09491317303638386,0.009491317303638386,-2.3547927733431133,60.5998312788512,6.05998312788512,4.10429210889402,45.070288349028715,22.907886374842757,35.94598180390502,45.666675869554155,4.566667586955415,22.90788637538175,0.7454844006567996,0.02390780148802424,0.002390780148802424,-3.7335504512157085,45.10679351189981,4.510679351189981,3.8090328673576437,87.48405727980615,41.933499490802326,68.15681055495858,85.53592760399567,8.553592760399567,41.933499490802326,-3.2468827930174484,0.12459234027928867,0.012459234027928867,-2.0827081490024573,46.74752855797175,4.674752855797175,3.8447613892671657,47.39165987464037,23.955531216137633,37.69585567360801,47.807181920748285,4.780718192074827,23.955531216317624,0.5194025576349013,0.0369221698075381,0.0036922169807538097,-3.298943100556038,47.43193824764548,4.743193824764548,3.8592958044908587,39.797181828986524,20.31128437095564,32.24323373426323,40.654119120946866,4.065411912094687,20.311284380817337,1.7799319727891039,0.1425306427086004,0.014253064270860042,-1.9481982658388952,39.86466602922281,3.986466602922281,3.6854903683757274,0,11.996802853181295,15.998301543392747,-0.39752937228113255,0.25843902486703557,3.739058522126763,7.408570104553106,10.0,22.0,21.0,21.0,9.0,1.0,1.0,0.0,0.0,1.0,17.908483999999998,3.6336833406942546,3.3868000228506747,2.8020884949500213,2.339508397395274,2.15766036413852,1.9435882406200895,1.1617049271849067,0.9779723338847213,1.7567138165823308,1.6029507777503125,1.4978087589575138,1.0698261145441446,0.6289207985938665,0.5061386070508774,0.42297934094274714,0.08392307051869094,3.5667884857830185,3.240844939021245,2.8024650560558535,2.310862438615091,2.052740718713544,1.8115413396767155,1.2173383323271374,0.6052892980928499,1.7358464179513269,1.6056002399191553,1.489333774745259,1.02439141975645,0.6254391929403337,0.4781610396955421,0.3336170069277562,0.2709139018929369,3.735620825551074,3.4670186184958975,3.0027459181985603,2.598991249663147,2.4242196279289914,2.195568552434754,1.6989218948655804,1.2275541322748418,1.5305813301621027,1.3609386205428857,1.2269005955217225,0.6554487026266803,0.2104367311618824,0.014751031554308335,0.17875010532905494,0.9439184268026207,3.5608811882389246,3.2085569518838963,2.8227810865802963,2.3317017218553002,2.031680118975302,1.8070186041282004,1.2900227585354642,0.45959950378053466,1.7433161414762348,1.5862383644600568,1.4914296893796954,0.9943337726094518,0.6420225471100827,0.38587663063635946,0.26458607259537686,0.3992772455089816,3.7629399033453748,3.4755281182405895,3.0796825731582587,2.6954960939959776,2.486283753078044,2.280147928568754,1.8857115609546158,1.2089363534098496,1.4928303387463029,1.3217851767944666,1.1878802996332671,0.5702414057670152,0.14961389235609188,0.18391510193462213,0.32939561162006037,1.2076448229620866,5.133436532273297,3.804416685001115,3.277188207542558,2.8743545668452346,2.667998209706089,2.442661738878149,1.7680841131266931,1.4884903679559356,1.6241873518724026,1.3467245351284598,1.1166238526064547,0.7447851972242391,0.2217482672099502,0.03767800194197202,0.23222064179452517,0.6363636363636356,0,0,1,0,0,3,3,0,0,0.0,0.0,0.14433756729740646,0.10206207261596577,0.07216878364870323,0.0,0.0,0.08333333333333333,0.05892556509887897,0.024056261216234408,0.6123724356957946,0.0,0.0,0.0,0.20118446353109126,0.0,0.0,0.0,0.7216878364870323,0.7603103630798289,0.664557624557347,0.27370475419801443,0.30289502912883703,0.15395555214229495,7.397341225498538,4.787693700234704,4.121679573467591,2.6270100977117448,1.8680736994055076,1.0463194779215614,0.5955220308284978,0.3190355937288492,0.7397341225498538,0.4787693700234704,0.3434732977889659,0.2189175081426454,0.14369797687734673,0.10463194779215615,0.07444025385356222,0.0531725989548082,6.130522265327405,3.537797400976731,2.4376136627761014,1.496479356223655,0.9860837032393981,0.40741172012751736,0.1871398512532778,0.08950196425422983,0.6130522265327405,0.3537797400976731,0.20313447189800846,0.1247066130186379,0.07585259255687678,0.040741172012751736,0.023392481406659726,0.014916994042371639,12.395364135965808,22.31900946831755,21.400000000000006,21.759999999999998,13.232045508982033,169.3757880239521,0.5634256425439004,1.0145004303780705,0.972727272727273,0.989090909090909,0.6014566140446379,7.698899455634187,0.7284999999999999,35.60699999999999,39.79123407505925,60.27609967997169,79.5824681501185,7.95824681501185,39.79123407505925,0.21107426004671503,0.021107426004671505,-1.5555452640742435,99.27373991597784,9.927373991597785,4.597881084073278,97,0.0,0.0,3.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,4.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.31064720332577,-0.22638888888888875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.618103741496599,0.5402777777777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.411658163265306,0.0,3.347694633408919,0.0,0.0,0.0,0.1563888888888887,0.0,0.0,-0.22638888888888875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.322684240362811,9.987962962962964,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.761851851851852,-0.22638888888888875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3835657596371882,0.5402777777777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.411658163265306,0.0,0.42592592592592604,0.0,0.0,0.0,0.1563888888888887,0.0,0.0,-0.22638888888888875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.322684240362811,4.761851851851852,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.322684240362811,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6670138888888889,0.5402777777777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.411658163265306,0.0,1.08921768707483,0.0,0.0,0.0,0.1563888888888887,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.322684240362811,5.226111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,25.0,2.5,0.6670138888888889,10.322684240362811,0.11583333333333323,-0.22638888888888875,2.321811250944822,1.8930555555555555,3.322684240362811,12.621294406651549,1.8930555555555555,3.322684240362811,12.621294406651549,4.49999,0.45,0.0,0.05,0.58636,0.93,0.43333,0.58636,0.93,0.15303,0.0,-0.15303,0.0,0.48387,0.23042,0.0,0.18518,0.22222,0.0,7.75,0.775,6.25,0.625,1.5,0.15,-4.75,-0.475,0.0,0.0,7.28319,0.72832,11.25365,3.97045,0.39705,3.21311,0.32131,4.78768,1.57457,0.15746,0.12632,0.01263,0.21232,0.02123,0.22727272727272727,10.03,3,3,3,3,0,0,0.8571428571428571,1.3946169838545441,2.3221793455166666,3.5160276412662297,3.879664004902593,3.8796640049025934,3.879664004902593,30.681573644799972,51.08794560136666,77.35260810785705,85.35260810785705,85.35260810785705,85.35260810785705,0.31273424577832365,0.5207343769577237,0.7884474843322408,0.8699906931386318,0.8699906931386319,0.8699906931386318,3.064814634782753,2.1372522731206307,0.9434039773710676,0.5797676137347043,0.5797676137347039,0.5797676137347043,0.30830062623264465,0.513351948768445,0.777269699281624,0.8576568736298071,0.8576568736298072,0.8576568736298071,13.058220421379207,25.05239465218141,28.254162115957453,28.620643945775633,28.620643945775637,28.620643945775637,37.20890355746892,21.78510902987641,18.33427055937899,17.27286574582459,17.27286574582459,17.27286574582459,8.1,4.0,3.111111111111111,5,3,2,1.9,1.1194000000000006,0.0,0.8297773030513044,0.9999999999999998,0.0,3.3019272488946267,3.4689955171312143,0.0,0.33333333333333337,0.0,0.0,0.0,0.6324555320336759,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.7590000000000001,0.756,0.8540000000000001,0.286,4.344,12.0,12.0,13.0,10.0,8.0,6.0,4.0,0.0,0.0,85.0,2.4849066497880004,2.70805020110221,2.6390573296152584,2.70805020110221,2.5649493574615367,2.3978952727983707,2.1972245773362196,1.9459101490553132,0.0,0.0,4.59511985013459,1.1529411764705881,0.5,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.3,4.0,0.4,0,3.0,6.0,1.0,2.0,0.666666666666667,0.2222222222222222,0.28500000000000003,0.14222222222222222,0.11111111111111106,0.0,0.0,0.0,0.0,0.2,0.05555555555555558,0.031746031746031744,0.04750000000000001,0.023703703703703703,0.027777777777777766,0.0,0.0,0.0,0.0,0.38628306878306884,27.397172747232993,42.98564938037742,54.79434549446599,5.4794345494466,27.397172747237978,0.10338737384242241,0.010338737384242241,-2.2692724342049977,67.9823023210693,6.7982302321069294,4.2192474113183245,35.53,141.00611378195003,4.321928094887363,3.8066624897703196,4.532599493153256,5.313205979041787,6.066108090103747,6.849066282633458,7.613324979540639,8.395477432732141,9.165656764349542,9.946882234855318,81.68898374618021,3.044522437723423,0.0,4.23410650459726,2.3978952727983707,5.564520407322694,4.442651256490317,6.959398512133975,6.259581464064923,8.394121193826242,8.77137018531062,144.078644244,6.549029283818182,19.42609982857897,1.9426099828578969,8.271946872902785,8.271946872902785,0.0,133.0,7.0,0.594,44.0,1.3018901026680032,2.227492500866078,2.9716319560445736,3.8069901257895475,4.755556484123155,5.55411528228019,6.289451264004686,6.854841086434305,0.0,0.0,123.92834031878725,142.67138409054775,106.1947278320036,148.19995325339684,195.34426088140657,244.6584481472383,62.382329361437336,6.964957253646786,0.0,0.0,322.701574869259,385.35197895270704,379.47750128182247,490.41651212120917,575.7968989214976,821.2230833400454,534.1310982241439,213.0741284453643,0.0,0.0,10.410942073080193,17.933978529158992,23.641841188757823,28.817327374773875,36.8124786517475,43.761574064005806,47.202587878402525,46.05400306492976,0.0,0.0,2.1191519511298123,2.6581565302235433,2.892164072704759,3.794751101762552,4.315724963476599,6.095148170103477,5.0833235995506945,3.047750807717831,0.0,0.0,190.11454734557637,354.23641184628025,496.7329685557216,623.5674210212541,810.5763990051369,897.2667556528189,1060.3709349189921,1267.5811187027837,0.0,0.0,3.9570999075981814,7.181288822834967,7.962417324744725,8.893972628792048,14.372840333940003,18.21663605869389,16.533906298585677,6.854841086434305,0.0,0.0,0.5083770074171561,0.6735873971496328,0.7273229303619698,0.9311705741723684,1.0889627819746985,1.50768479541163,1.225775519024037,0.7019357272508729,0.0,0.0,315.1644768333575,316.31802992339607,14.637041525210105,75.92192881775463,-76.19981538818725,-21.015205388334394,239.2425480156029,392.5178453115833,35.6522469135445,0.8058691692661788,0.808818781099702,0.03742661804068894,0.19413083073382134,-0.194841381053181,-0.053735453558777097,123.25654243367099,123.7076813653819,5.724347959460491,29.692034251435246,-29.800711911444452,-8.218761139343583,0.25746085673774277,0.37368011357852876,1.651746536587265,8.854131834915385,316.86270401216365,74.2237016389485,0.8102115016875239,0.18978849831247627,791.4443193362329,28.13262020033386,9.249965694876359,907.6887523176842,30.127873345420255,9.682310027424888,1414.9596547310593,37.61594947267793,11.2265940490615,1.6990022082507357,1.6990022082507357,818.3103471859267,752.4170364111158,178.40610451871225,1.0875755167494736,4.586784456694965,4.217439971804317,4.570367829593351,4.709175068153331,8.158549503530457,0.732479550124216,3.360065510805884,3.3319817161751417,13.898801368228634,10.483091588834542,8.4017490076714,7.840116505890389,7.028677822305175,8.293789244115395,3.4845435484981904,6.999110999131575,4.612196400327554,1.9907837998369753,2.7443680156870287,0.6567379976395257,0.7338928794086914,8.648488772134626E-6,1.7793429126136638E-31,7.065889416270075E-79,5.4119023576724545E-148,7.994825211576089E-239,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2985245999864725,3.5396924318541374,1.9276922631036293,5.305662103298297,2.2858515739409286,2.4930641024331575,1.9097884021211329,1.843722761932523,0.24772378858435254,1.1812874193678804,0.8646244277858546,0.5302078450627811,0.13484950017921127,0.0046864115551298186,0.005168867556636017,6.09120135682953E-8,1.2532057622018783E-33,4.976563690325357E-81,3.811647081082694E-150,5.630820766429407E-241,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9161832267405762,2.9329047345071997,3.6203269994117284,4.239343603774972,2.157174788976088,3.2396591895435694,2.09441832748275,1.8813598904712339,0.5271137581968869,1.8010746633310641,1.4160867332743152,0.5578982180688477,0.4610055656892466,0.04829682616315056,0.05386358515798099,6.347501447909523E-7,1.3059370268865011E-32,5.185963060396366E-80,3.972030138022839E-149,5.867749377182499E-240,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.176744700470365,3.647940243287567,13.81904909156988,12.386440781685126,9.07594436073857,7.49275391787648,7.103586530203477,8.48000204386087,3.847287357964483,6.782663209855129,4.401053354863613,2.0622445677349837,2.5979519068050605,0.5853030054273064,0.6538853428815262,7.7056477925371E-6,1.585362500663091E-31,6.295580258856493E-79,4.821907567272255E-148,7.123245328339114E-239,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3426882146227437,2.709854257186048,4.795999125075416,4.028537927437287,2.3011930969230074,3.828833076470415,2.376658498316146,2.23881169113772,0.6557185208615902,2.3087697080222296,1.8563337273498621,0.6407894953042668,0.7243127839080458,0.10476892910893544,0.11699890457237447,1.3787621340072202E-6,2.836669730358354E-32,1.1264604749935972E-79,8.62778022877802E-149,1.274553573480177E-239,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0577819395577395,3.5974584641898337,18.013123144790082,13.771728181650213,11.454136119424323,9.667976883916376,9.453435620383082,11.31944539497529,5.049981016590143,9.377231104105535,5.73854217963959,2.602626153042371,3.7115367025523,0.9577318408164681,1.0703137922104538,1.261300807558062E-5,2.5950044126014313E-31,1.030493565022886E-78,7.892750969569497E-148,1.1659701204835543E-238,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2460558632480474,4.408491608968865,10.231919597949569,20.47499230631946,9.91238139216036,5.351080946688005,7.470668922798515,8.92049370774447,4.381271822217603,4.838337562183894,3.863497007648911,2.9183174731690844,2.1164085229312737,0.26698972289412704,0.29719629000847836,3.5022805771454263E-6,7.205603530418969E-32,2.861393234687882E-79,2.1915968225285146E-148,3.2375738460101513E-239,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.963924309723133,1.4296339221402512,0.7955711179186773,0.7282733065978317,0.17457703512502198,0.5621934172741576,0.48967649063913,0.405043138267277,8.18912934978206,14.408329890177464,29.380680381130276,0.5924099598967476,1.4569130461805646,4.941393137111554,0.8498923209913678,0.4141351458263528,0.7963026928396542,0.13695966401587925,0.40419084610371164,0.19430783761770798,0.08813776181806457,6.205420603929274,6.598026929944044,14.542671061367814,0.6944540392594812,0.6866364455394842,5.391752045917338,1.071561870601274,0.558226704856261,0.7678873251126461,0.15261064891360748,0.46507164007451984,0.2948961359733384,0.18917630958620751,7.021540621374872,9.385590338211228,19.632339285378908,0.6518309876689692,0.9491440856340658,5.8459018757359065,1.391767509386305,0.7728331689922174,0.7297796656632085,0.17374284571839405,0.5421895938149314,0.47891777843310934,0.37203142526734423,8.01050255411443,13.729647260731642,28.028025810066325,0.5946694984948129,1.3931387975153848,5.643973475322989,1.1886114654471918,0.6307414732794434,0.7562276071294799,0.15926028147578333,0.5050562079984675,0.34598059178067125,0.2546372610641204,7.463326414049624,11.01808627529706,22.712736554173887,0.6343414106942198,1.1056740608432591,6.015246177820297,1.4717113007648575,0.8246801817648084,0.7237137160725343,0.17706634491365578,0.5717431742434615,0.5178476891334457,0.4343906430671249,8.311637660349962,15.027051231085743,30.639339900541618,0.5855705741088015,1.523981506444032,5.959674695964757,1.4131249946243425,0.7706997351260569,0.7318321503339926,0.17352797866750547,0.563739747821264,0.49424671795932523,0.3742539250336618,8.143499425715156,14.10398004137252,28.73813173204987,0.5977482255009889,1.4322403908142511 +UMLCN0180,L,"1,4-diethoxybutane",CCOCCCCOCC,Ethers,,C8H18O2,NREL (2014),Blend (Method?),PubChem,,97,0,-0.15559999999999902,0.024211359999999692,38.4668,27.686273999999973,0,0,28,10,18,0,8,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1684.338121999998,1707.9041449999993,1753.277079999998,1485.0174469999972,1308.505389999998,1139.8455729999973,911.1050840000003,734.4922270000003,445.91131400000006,4380.424167680095,5393.761611719269,6458.305153626908,6124.975547423577,5649.126604697118,5049.781867475198,4139.426790938247,3126.071480726635,2171.0669859046975,207.9599120000001,205.95549200000005,383.276416,427.6072759999997,352.19783199999995,370.7589639999999,297.6354560000001,271.0385560000002,181.00013600000008,31.600640287281976,39.345657580000015,50.624433566188046,50.45827853637606,47.58513324158405,44.652383240376075,37.192535676980036,27.634353140979975,18.575940014187996,4713.775156761482,4003.550952942201,8189.732825563989,9680.485616229877,7881.979670046386,8627.595324361277,7014.834268327181,6403.796637318581,4196.196387499488,64.0,63.75,108.5,106.25,86.0,89.75,65.5,67.25,45.0,60.15493292857136,63.25570907407405,35.06554159999996,26.05293766666662,27.260528958333293,22.34991319607838,21.692978190476197,19.85114127027028,18.579638083333336,156.4437202742891,199.76894858219515,129.16610307253816,107.45571135830838,117.69013759785662,99.0153307348078,98.55778073662493,84.48841839801716,90.46112441269572,7.427139714285717,7.627981185185187,7.66552832,7.501882035087713,7.337454833333332,7.269783607843135,7.086558476190478,7.325366378378384,7.541672333333337,1.1285942959743562,1.4572465770370375,1.0124886713237609,0.8852329567785274,0.9913569425330011,0.8755369262818838,0.8855365637376199,0.746874409215675,0.7739975005911665,168.34911274148152,148.27966492378522,163.79465651127978,169.83308098648905,164.20790979263305,169.16853577178975,167.01986353159955,173.07558479239407,174.841516145812,2.2857142857142856,2.361111111111111,2.17,1.8640350877192982,1.7916666666666667,1.7598039215686274,1.5595238095238095,1.8175675675675675,1.875,0.3359235758967403,-0.06409522492220275,-0.1053981347842899,-0.03190725951830574,-0.03449722485489463,0.09849584277110052,-0.004311711308148895,-0.01992893700745164,-0.03444739805897206,920.6519469999992,8.061343749998954,-302.6592725000006,-108.91827674999999,-196.25353499999994,30.103491750000543,78.73781150000042,79.8649082500005,-81.63430099999975,1284.7724176227675,-219.44757046714037,-392.61878068978217,173.84198053040524,-296.58767646273566,30.601301436908443,-119.84578703034089,93.67508342169279,172.1776945135085,2.043175428571428,0.060837693877553806,-0.6876886938775453,-0.7797605510204051,-0.24287044897959173,0.7117227551020384,0.2803202857142811,-0.1397975306122452,-0.5191840816326514,5.629928378600716,-1.7269451815957457,-1.629233976067841,1.5038464960890423,-1.2412503409036484,0.5525399555547672,-1.2426708990822135,0.12411442997926428,1.5014607836438116,31.29260813488639,-10.675891797471468,-8.934223502456684,9.087445593421748,-6.692378230150641,4.085125148641542,-7.875339195039352,0.0749894032946622,9.208471183741839,12.428571428571416,-0.5204081632653069,-2.979591836734695,-4.551020408163259,-2.0204081632653086,3.1836734693877546,1.7142857142857155,1.0408163265306138,-3.0816326530612246,0.011997270567740725,-0.0023738972193408426,-0.002107962695685798,-5.597764827772936E-4,-7.186921844769714E-4,0.001931291034727461,-1.0265979305116416E-4,-5.386199191203146E-4,-0.0014353082524571693,32.880426678571396,0.29856828703699834,-6.053185450000012,-1.9108469605263156,-4.088615312499999,0.5902645441176577,1.8747097976190576,2.1585110337837974,-3.401429208333323,45.884729200813126,-8.127687795079273,-7.852375613795643,3.0498593075509692,-6.178909926306993,0.6000255183707538,-2.8534711197700213,2.5317590113971025,7.174070604729521,0.07297055102040814,0.002253247921390882,-0.013753773877550906,-0.01368000966702465,-0.005059801020408161,0.013955348139255655,0.006674292517006693,-0.0037783116381687894,-0.021632670068027143,0.20106887066431128,-0.06396093265169428,-0.03258467952135682,0.02638327186121127,-0.02585938210215934,0.010834116775583671,-0.02958740235910032,0.003354444053493629,0.06256086598515882,1.117593147674514,-0.3954033999063507,-0.17868447004913368,0.15942887006003068,-0.1394245464614717,0.08010049311061848,-0.18750807607236553,0.002026740629585465,0.38368629932257664,0.4438775510204077,-0.01927437641723359,-0.0595918367346939,-0.0798424633011098,-0.04209183673469393,0.06242496998799519,0.040816326530612276,0.028130170987313886,-0.1284013605442177,-0.19786977429049388,-0.17570352221228272,-0.04665865286746703,-0.0599046408446811,0.16097753433355746,-0.00855692905077964,-0.04489520479504742,-0.11963623262082189,0.009080426174383533,-0.18409692517600304,-0.0581150293214303,-0.1243480004827493,0.017951851716764396,0.05701598145138519,0.06564729390177067,-0.10344845100657038,-0.17713273972934862,-0.17113265678064613,0.06646785021228636,-0.13466157551601057,0.013076801995381956,-0.06218781650169257,0.055176505462567645,0.15634985167575946,0.03087886674667842,-0.1884838977535513,-0.18747302131785568,-0.06934031536904599,0.19124630339371665,0.091465562801356,-0.05177858170636652,-0.2964575402750761,-0.3181045998834817,-0.16205730610462138,0.13121509945345392,-0.12860957549879576,0.05388261613937972,-0.14715058706674247,0.01668306009981,0.31114147992408786,-0.35379905534416123,-0.15988329064198364,0.1426537648264666,-0.12475429609745378,0.07167231946374354,-0.16777847686569305,0.0018134869865681473,0.3433148280489644,-0.043422733077905604,-0.13425287356321858,-0.17987497479330503,-0.09482758620689677,0.14063556457065599,0.09195402298850591,0.0633737185461325,-0.28927203065134127,1.1821955134409208,1.6894445137325778,1.3997486836445274,0.9421963519464701,0.6680615994912794,0.4025887842979882,1.1244796938639499,1.7025049199818731,1.2180524601660367,1.327022169367119,1.0846286213878313,1.0979864389647584,0.8850178674142392,0.7719284499130525,0.8486567610315164,1.1197092962048565,1.6306732938379709,1.210103412045918,0.8305521157752153,1.1723721626478705,0.9036789844436477,1.031053010148241,0.7537030953481021,0.6134714385321323,0.9115086125042895,1.6970824685496562,1.5425088646107599,0.9198075817278266,0.6397823266334696,0.3265635256269164,1.1424422030515016,1.889135140343169,1.8765188210559056,1.2133982046597167,0.7484998135066763,1.1850270311283255,0.8551924053427583,1.1203033037355026,0.7546392233507507,0.4131762667030191,1.927617668077764,1.229619322538983,0.7462093162513291,1.1809141534927448,0.8324214453752354,1.12498223040507,0.767080878118042,0.3931232245726735,1.0258620689655182,1.5424137931034498,1.429219600725954,0.9504310344827596,0.7028397565922928,0.41379310344827624,1.027493010251632,1.7650862068965534,60.440411228498704,30.470205614249352,48.83670727037975,60.84041122849871,6.084041122849871,30.470205614249604,0.5000000000000036,6.661338147750939E-16,6.661338147750939E-17,-34.945041100449046,45.58396631717519,4.558396631717519,3.8195560388375713,60.46460008727462,30.481565622736,48.854043676328104,60.86342501383253,6.086342501383252,30.481565622736248,0.4985311581973768,1.6653345369377348E-16,1.6653345369377347E-17,-36.33133546156894,45.59477200122466,4.559477200122466,3.81979306085168,81.87979744642095,40.54090424515244,64.36853230740181,81.24140628152807,8.124140628152809,40.54090424515244,-0.7979889561160718,1.6653345369377348E-16,1.6653345369377347E-17,-36.33133546156894,55.74459008702562,5.574459008702562,4.020780366833913,60.48998667119126,30.493488135814573,48.87223908636662,60.88757835154156,6.088757835154157,30.49348813581482,0.49698960043788887,5.551115123125783E-17,5.551115123125783E-18,-37.42994775023705,45.6061148773357,4.56061148773357,3.820041805717169,104.53230410389125,51.18385778760646,81.0032802561553,102.8006332809486,10.280063328094858,51.18385778760646,-2.1645885286783297,4.440892098500626E-16,4.4408920985006264E-17,-35.35050620855721,67.19263471424695,6.719263471424695,4.207563639055751,62.97322365198101,31.65974601186882,50.65484943020379,63.250238349386315,6.325023834938632,31.659746011868894,0.3462683717566293,2.7755575615628914E-16,2.7755575615628914E-17,-35.820509837802945,46.72585211834803,4.672585211834803,3.8442975900581193,56.34549123618673,28.64595990380766,47.00139578174981,57.1026340933296,5.710263409332962,28.64595990380946,0.9464285714285907,1.1657341758564144E-15,1.1657341758564144E-16,-34.385425312513625,40.454775577456736,4.045477557745674,3.7001846977832056,0,11.89,15.995918659282356,-0.3818986557824802,0.11955888116494238,4.702178723959518,6.816987651351594,9.0,27.0,27.0,27.0,9.0,0.0,0.0,0.0,0.0,0.0,23.509725999999993,3.4715503178275027,3.264819446044356,3.046624477475106,2.6930287150326495,2.1915023225193297,1.8502042347829717,1.623114076890371,1.272370132428044,1.8204714609627994,1.6663505443489077,1.6117096727444298,1.3138055500068966,0.9240208949715444,0.8369004596464084,0.7636771397363916,0.5631263825630828,3.431667826339285,3.187492120958029,3.0625227777206923,2.7068354602252724,2.122515296715819,1.8680507209879866,1.7154280308283607,1.3603971529290122,1.7977092176071408,1.639044517752985,1.537943679881059,1.2527496018755522,0.8603280759007587,0.72463356526917,0.6261876109438503,0.41524093692323377,3.609847387188011,3.4197143384453765,3.258808373871342,2.9411027257681184,2.4807188963975535,2.247586419612387,2.0968839242106925,1.8203803005162362,1.577226930276456,1.3649021773115297,1.276563665051396,0.9455390496977976,0.43666511793042756,0.2739158692859438,0.1672156918067222,0.10912315221738611,3.436050414376502,3.1858515279623645,3.085688720157693,2.7295415949031203,2.132244636554434,1.9122222212564095,1.782436791803358,1.4358954425303383,1.7835451566759846,1.6252877803353434,1.4899856390711996,1.208201902825886,0.8184833855427457,0.6498176479946501,0.5341289429583512,0.3157457351965629,3.65360637975287,3.4670122603416123,3.3393749000328237,3.0295001323768944,2.5779143546662278,2.389815575972877,2.265254557253768,2.010011495323351,1.5293166828377474,1.3081748028028646,1.1988623574982598,0.8615411363679442,0.33198905231575176,0.13109784694862145,0.004721414816241536,0.2961135509604333,3.6829792266148824,3.5768147118792135,3.208555912737316,2.9258230810048604,2.5874593115223163,2.180449470140962,1.888435780082981,1.613500078707378,1.6743933253126562,1.3864654761983755,1.3357463961616582,1.0662595350655557,0.552908177229673,0.44263483907599266,0.3911132590254598,0.15014558098970587,0,0,0,0,0,6,2,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.6568542494923815,4.914213562373096,3.121320343559643,1.9571067811865475,1.2071067811865475,0.7285533905932737,0.42677669529663687,0.23927669529663687,0.7656854249492382,0.5460237291525663,0.39016504294495535,0.27958668302664963,0.20118446353109123,0.14571067811865474,0.10669417382415922,0.07975889843221229,7.059137268047012,4.068914100752346,2.1009536313038994,1.2355985596534889,0.696923425058676,0.3901283791960047,0.20326313239628543,0.0797588984322123,0.7059137268047012,0.4521015667502607,0.26261920391298743,0.17651407995049842,0.116153904176446,0.07802567583920093,0.05081578309907136,0.0265862994774041,14.30604844290658,27.651857246904584,26.227450980392167,26.639999999999993,16.14746946107784,216.8206431137725,0.5109303015323778,0.9875663302465922,0.9366946778711488,0.9514285714285712,0.5766953378956371,7.743594396920446,1.8396000000000001,42.220000000000006,34.34287175318626,54.77460084771694,68.68574350637252,6.868574350637252,34.342871753186266,1.1657341758564144E-15,1.1657341758564144E-16,-34.385425312513625,49.36979012827422,4.936979012827422,3.899338701264657,122,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.316285430839002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.321510770975056,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.032823286722096,0.0,5.650891282438901,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.316285430839002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.158142715419501,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3267361111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.016411643361048,0.0,0.8280108339632148,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.158142715419501,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.158142715419501,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.49,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.016411643361048,0.0,1.1188888888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.158142715419501,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.0,2.0,0.49,5.158142715419501,0.1392446145124715,0.8280108339632148,4.465909257999496,0.6719891660367852,1.6581427154195012,6.698217435122197,0.6719891660367852,1.6581427154195012,6.698217435122197,4.66666,0.46667,0.0,0.03333,0.49762,0.85333,0.425,0.49762,0.85333,0.07262,0.0,-0.07262,0.0,0.54687,0.16742,0.0,0.21429,0.0,0.0,5.5,0.55,5.5,0.55,0.0,0.0,-5.5,-0.55,0.0,0.0,8.56395,0.8564,10.82617,2.26222,0.22622,3.8519,0.38519,4.91421,1.06231,0.10623,-2.1E-4,-2.0E-5,-2.1E-4,-2.0E-5,0.0,9.02,2,2,2,2,0,0,1.0,1.1981174211304033,1.6266888497018317,2.7534343861887853,3.039148671903071,2.8962915290459277,2.5495234595978316,33.54728779165129,45.547287791651286,77.09616281328599,85.09616281328599,81.09616281328597,71.38665686873928,0.2492259133256579,0.3383750266155905,0.572754546071727,0.6321872882650154,0.6024709171683711,0.5303380967150655,3.6092375009272004,3.180666072355772,2.0539205358688184,1.7682062501545328,1.911063393011676,2.257831462459772,0.25197597642115843,0.342108798359938,0.5790745595844224,0.6391631075436088,0.6091188335640155,0.5361900693629031,10.959508116884994,16.102365259742136,18.808238325822245,19.096188334965102,17.381902620679387,17.032421079991277,36.51381935197564,27.879348591481886,25.997712534146206,25.0750211946518,28.17334391817912,29.016875232321638,10.0,9.0,9.142857142857142,10,0,4,2.1199999999999997,1.3532000000000013,0.1111111111111111,3.1813820870214555,0.0,0.0,5.896330345947701,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.19999999999999996,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.507,0.516,0.497,0.068,4.486,8.0,7.0,6.0,5.0,4.0,3.0,2.0,1.0,0.0,55.0,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,4.02535169073515,1.0,0.4444444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.7777777777777778,9.0,1.0,0,5.0,9.0,0.8,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.0,0.0,0.05555555555555555,0.02777777777777779,0.017857142857142856,0.013333333333333336,0.01111111111111111,0.010204081632653062,0.010416666666666666,0.012345679012345675,0.0,0.0,0.15860134794658604,34.34287175318626,54.77460084771694,68.68574350637252,6.868574350637252,34.342871753186266,1.1657341758564144E-15,1.1657341758564144E-16,-34.385425312513625,49.36979012827422,4.936979012827422,3.899338701264657,18.46,164.50478910885565,4.321928094887363,3.5553480614894135,4.174387269895637,4.812184355372417,5.4510384535657,6.09807428216624,6.744059186311348,7.394493107219038,8.043342170441608,8.695004592732307,73.9679314791937,2.9444389791664403,0.0,3.9318256327243257,0.0,5.056245805348308,0.0,6.244166900663736,0.0,7.466799475018602,7.822845290279774,146.130679816,5.218952850571428,18.82909733129015,1.882909733129015,5.697953868098628,5.697953868098628,0.0,165.0,7.0,1.392,34.0,1.2317407407407406,2.0985556620651336,2.82443707707539,3.644821005848032,4.77496456712952,5.789915750170555,7.023103201134238,8.196134912738946,9.435548149767722,10.224060074184944,89.58445676737031,80.91124409741076,88.90514358512158,124.05738186848019,128.03828068750502,149.58558436092534,159.7152779191604,169.69007503165238,183.4957123045825,51.31932023816379,267.4600602529378,287.47902590173845,334.388717899487,492.63107007875124,521.8210653653053,632.3036478004914,637.1386085099292,792.0313120054565,1113.0529689806076,626.5199531239869,9.492062603703701,16.163273388385047,21.28895927530945,27.128934791927524,35.03180421077075,41.37975075439449,51.80220323210786,62.27980317123154,66.55292121524484,70.1630945346807,1.8910088491311101,2.214813909004641,2.6550910986703924,3.9773232357346218,4.456595069117899,5.487201759067782,5.471084349347266,6.622563825002509,10.182814055022579,7.014416080951666,181.22761215766326,340.79632868169995,476.4352437044954,586.704340254121,800.2707303490439,954.1938097178437,1207.462858665626,1425.9822472837284,1498.3118587206313,1773.2705065084413,3.0463055555555547,4.686764176164751,5.442440028263658,7.052520637131072,8.91713828614747,9.559420422137693,13.3555669536632,15.927954491969757,16.067719209391512,13.914523719647002,0.4364236111111112,0.5383539011362803,0.6355581706706619,0.9163754332955834,1.0229677976950873,1.2499086510548683,1.349721407868652,1.6175753709500045,2.1820485622915213,1.5547515492121173,528.2778833315093,475.30743792095166,19.467592271798626,138.48744191861917,-124.60130033734349,-19.28455731737904,389.7904414128901,599.9087382582951,38.75214958917766,0.7922995742667521,0.7128556628865578,0.02919706759570259,0.20770042573324785,-0.18687429537611439,-0.028922555788492278,352.23737470198324,316.91851843916857,12.980315492942697,92.3386242539264,-83.07982654601778,-12.858274132026981,0.06259358781829229,0.42334775260565266,1.1243750772909047,8.596258367154345,626.8379570051839,39.92736824494476,0.9401178094707213,0.059882190529278824,701.1274413359683,26.47881117678753,8.883804411276401,875.4940908081455,29.58874939581167,9.566455883131814,1114.9582316497517,33.3909902765664,10.369381814556059,3.343426858079226,3.343426858079226,1787.6742526343014,1758.7035923436642,55.68775580184047,1.0164727361772377,32.10174708773628,31.58151315348103,4.904815265355296,6.660935258277877,12.02689553589808,0.8055866135242279,5.020210345274998,6.273710609275505,8.55200399204912,20.616564965278982,8.890330216516423,1.6096202710315266,10.753116005934936,10.879775037454184,8.594140954733996,2.3849997475689806,6.189418692966712,2.036294295627125,9.45679355787435,0.24484909196343876,3.2708756918469986,3.0159161223573054,4.674421295111927,5.55070517723172,4.7391285644690715,2.630414173866578,0.9363080958564948,0.3105353114191426,2.418644735552696,3.8046156261518245E-10,1.5006617654837988E-41,1.1416444309309159E-94,1.6751542836230522E-169,4.740833105378455E-266,0.0,0.0,0.4213119453939669,6.781659162153156,0.8435681365130958,3.5407493335384452,0.22904038266965712,1.5965940963941565,0.84771770609198,0.2524252320049293,0.814840362825674,0.12066130733071348,5.315797092433698,0.03987070939128683,1.2748699356942028,0.02086129988650786,0.06610549580786144,0.5893564851192699,0.4547198660784463,1.9821823431744825,0.15640339560435987,0.16183318595233928,0.007117177248496689,0.026060857396177747,0.01703471263367428,2.6796218940469113E-12,1.0569283516339665E-43,8.040695073928952E-97,1.1798248589024938E-171,3.3390075196751484E-268,0.0,0.0,1.3600449431659885,5.836731229591578,1.6708278113368398,5.320466795281164,0.8457526807862056,1.5805018499465218,2.078227410086378,1.2114541130601375,1.4693160398442033,0.44189105810345564,4.42650801928512,0.21504121462126952,1.5658832978213297,0.06657951244654216,0.34658412974563424,0.650384318761478,0.8356280626455437,2.7105929637000363,0.6639010783427637,0.5510208006893804,0.0692122297015423,0.08412776910163244,0.177514839475362,2.792372613530865E-11,1.1014008320068382E-42,8.379024207882767E-96,1.2294684679511598E-170,3.479503274334449E-267,0.0,0.0,4.738669199620445,6.779900950496384,10.052864314526525,19.626003681565034,8.496846612178667,1.6194133453719854,11.247034089753386,9.801039564536968,9.196901362604033,2.1965080551282683,6.834103647915915,1.8318797320060518,8.992269133060184,0.23114371894691732,2.950008457527841,2.9003559941438057,5.61853735213464,5.332242423918784,4.307188460504378,2.4387115075848564,0.8342927253339574,0.2931198515221825,2.1549689152042526,3.389844026342295E-10,1.3370626158182472E-41,1.0171846343154561E-94,1.492532307996862E-169,4.223996945102081E-266,0.0,0.0,2.004455789584525,5.477662811906724,1.8931720127966434,6.968377149371994,1.4730011005651569,1.5759100416544742,2.8079975353268645,2.229142927694716,1.8679665374945027,0.7042621222674271,4.382872854351075,0.40427745722754616,2.1607129883353617,0.09796239849451184,0.6481711139986907,0.8307872141911902,0.8917973636552011,3.210624306625069,1.1393448572181273,0.8522434121685689,0.14971748930971066,0.12398899914617878,0.38558595204984963,6.065406451924629E-11,2.3923897835977643E-42,1.820036024026957E-95,2.670569802115138E-170,7.557946066142996E-267,0.0,0.0,6.062631034318347,6.59444365186472,12.15229548067881,27.134232524597365,12.964006859845384,1.6222874631211028,14.708012468895742,15.359985329146488,12.167319197295527,3.1395238697759305,7.0042790426290455,2.8864756010643116,13.202012342558286,0.29562594307607964,4.638792744515852,4.067024256086186,6.806509353127782,6.359574810505468,6.510299137691077,3.386276026865506,1.3652679204163802,0.3750170769431138,3.527366038767153,5.548674326981734E-10,2.1885741504050586E-41,1.6649811089734668E-94,2.4430550890298515E-169,6.914059533242533E-266,0.0,0.0,3.168575097218508,7.623562756735362,9.637874637453184,12.286230717075208,4.86089024657932,1.6226904963725604,8.778169597501986,4.510947890657743,7.466385225281822,1.1590026060661769,8.936233749255972,0.8346126647337934,5.505380376700825,0.18558732946894932,1.3586643514918926,2.163546871943183,5.544252441338849,4.830913582565704,2.097700870516128,1.6784159415122444,0.35518723823027704,0.23519726143837125,0.9159364679016129,1.4408011838681466E-10,5.682979466920896E-42,4.323387194057907E-95,6.343779535613926E-170,1.7953450813267523E-266,0.0,0.0,13.935301653577575,0.744664477987258,0.473386725,0.9196183699728496,0.049141895198767827,0.5563730724159478,0.5627025152946256,0.5714119349847778,15.153352856564831,17.326425221588714,37.39217088566212,0.8794275549592744,1.690487522695351,11.94386103529138,0.28962188093599783,0.0913688499377692,0.9690876013681816,0.023499015357822277,0.407818830937204,0.08534747608791013,0.021286951667855488,12.324851766165148,4.576962763468306,17.217877975008488,0.9536314020522724,0.5144532586929695,12.969851566407996,0.48507802347213413,0.25100692675582437,0.9462944433359577,0.03539181893067704,0.4815563771937802,0.2400697360894108,0.1606529001340653,13.705936516635955,9.668670488631971,24.953789464792592,0.9194416650039366,0.8822790134172562,13.768653225323948,0.7191419177094358,0.45246424371279587,0.9215806010395249,0.048134500151142075,0.5429568151585065,0.5261857394508801,0.5220182496673798,14.940259386746181,16.45682495719419,35.877211396269054,0.8823709015592874,1.5911608042767664,13.407640129205738,0.5764299240271589,0.327751128192271,0.9368227816182516,0.04027649009304895,0.5149473003373987,0.3376365925201766,0.2739085240644977,14.311821181425168,12.311859717728384,29.156726791003752,0.9052341724273774,1.1264924169220731,14.017592662907377,0.7727653841810505,0.4977900277827716,0.9168927848068003,0.0505466967219678,0.5629670717898178,0.6059405337232021,0.6318435281379277,15.2881480748712,18.194803122622382,38.875167282229164,0.8753391772102005,1.8007511336509476,13.887788281747866,0.7286823434336078,0.46010799498597477,0.9211498597679597,0.04833207598300009,0.5524485664457024,0.539853860613987,0.5398047685136281,15.07657862016745,16.844941103377476,36.57771422042073,0.8817247896519397,1.6321071955733175 +UMLCN0181,L,methyl tetradecanoate,CCCCCCCCCCCCCC(=O)OC,Esters,,C15H30O2,Marquardt (2015),IQT,PubChem,,75.8,0,-3.0707000000000013,9.429198490000008,54.46390000000001,48.007789999999964,0,0,47,17,30,0,15,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2706.379736999997,2815.1381800000004,3199.8611680000004,3028.326986999997,2712.0014209999977,2472.9600999999975,2276.203370999997,2079.4466419999953,1882.6899129999956,7718.047413096562,9856.00672008431,12984.685230386896,13609.463889793766,12775.450167380252,11709.11339713431,10702.31505217918,9695.51670722405,8688.718362268903,341.36509199999995,341.6573200000001,643.7912800000013,850.2773160000024,820.0073000000021,769.0196800000017,706.1347800000011,643.2498800000006,580.3649800000002,56.458295145470046,73.68004929999996,105.97568005528186,117.53175268644969,111.00227640505376,103.04412101675175,94.0225921573558,85.00106329795983,75.97953443856392,7820.347473682471,6702.033045802002,13833.785071685332,19624.309351967022,18853.808794027686,17928.80672104614,16449.851566007557,14970.896410968964,13491.941255930367,129.02777777777777,102.75,177.91666666666669,206.33333333333337,204.58333333333334,177.33333333333334,165.08333333333334,152.83333333333334,140.58333333333334,57.582547595744614,61.19865608695653,36.36205872727273,25.448125941176446,23.789486149122787,22.89777870370368,22.99195324242421,23.104962688888836,23.24308534567896,164.21377474673537,214.26101565400674,147.55324125439654,114.36524277137619,112.0653523454408,108.4177166401325,108.10419244625434,107.72796341360055,107.26812792924571,7.263087063829786,7.427333043478263,7.315810000000014,7.1451875294117855,7.193046491228089,7.120552592592609,7.132674545454557,7.147220888888896,7.164999753086422,1.2012403222440435,1.6017402021739122,1.2042690915372938,0.9876617872810899,0.9737041789916997,0.9541122316365902,0.9497231531046041,0.9444562588662203,0.9380189436859743,166.39037178047812,145.69637056091307,157.2021030873333,164.9101626215716,165.38428766690953,166.00746963931613,166.16011682835915,166.3432934552107,166.56717599914035,2.745271867612293,2.233695652173913,2.021780303030303,1.7338935574229695,1.794590643274854,1.6419753086419755,1.6675084175084176,1.6981481481481482,1.73559670781893,0.3070115250967962,-0.1539367940809371,0.01504692726507359,0.01414621703642934,-0.03666983105102742,0.004831532422242659,2.4129288668133962E-4,6.245294692981598E-6,-1.8364524487180997E-7,1456.1836857446824,-19.638600856497952,-398.64264126663767,45.59296749751058,-222.63650738071436,13.545187650521349,11.455625133545347,9.366062616569003,7.2765000995927736,2283.9921679398444,-154.2459010923128,-824.881487238209,-10.089021454146977,-212.4828555219455,9.535697398121606,9.257246048780239,8.978794699438417,8.700343350096936,2.193122553191486,0.0506116287913112,0.6973858578542361,0.014334301493885648,-0.34516721412403795,-0.034544760525128226,-0.051191250339523195,-0.06783774015391811,-0.08448422996831303,10.140223492616792,-1.046589602826636,-3.418078697509876,-0.3601417531425557,-0.48662425904868695,-0.03638535106790371,-0.03703199484770621,-0.037678638627507824,-0.03832528240731033,55.89156016476572,-6.292222563537149,-17.708775557877683,-2.512898039274966,-1.9686625422300867,-0.35612952635470174,-0.36653321384640813,-0.3769369013381181,-0.3873405888298245,41.42434988179662,1.4505180825914157,10.639869724862923,2.8629344600372155,-7.523955032443062,-0.904179870227848,-1.2590915949901835,-1.614003319752519,-1.9689150445148567,0.006532160108442472,-0.0033464520452377634,1.709878098303817E-4,1.188757734153726E-4,-3.2166518465813525E-4,4.4736411317061655E-5,2.437301885670097E-6,6.939216325535109E-8,-2.2672252453309873E-9,30.98263161158899,-0.42692610557604244,-4.53003001439361,0.3831341806513494,-1.9529518191290733,0.12541840417149397,0.11571338518732674,0.10406736240632226,0.08983333456287375,48.595578041273285,-3.3531717628763653,-9.373653264070557,-0.0847816928919914,-1.8638846975609256,0.08829349442705191,0.09350753584626503,0.09976438554931574,0.10741164629749304,0.046662181982797576,0.001100252799811113,0.007924839293798138,1.2045631507466932E-4,-0.0030277825800354204,-3.198588937511873E-4,-5.170833367628605E-4,-7.537526683768679E-4,-0.001043015184793988,0.21574943601312324,-0.022751947887535564,-0.03884180338079404,-0.003026401286912233,-0.004268633851304272,-3.3690139877688615E-4,-3.7406055401723444E-4,-4.186515403056425E-4,-4.731516346581522E-4,1.1891821311652282,-0.13678744703341628,-0.20123608588497366,-0.021116790246008117,-0.01726896966868497,-0.0032974956143953867,-0.003702355695418264,-0.004188187792645757,-0.004781982578145981,0.8813691464212048,0.03153300179546556,0.12090761050980593,0.024058272773421978,-0.06599960554774616,-0.008372035835443036,-0.012718096919092764,-0.017933370219472434,-0.024307593142158725,-0.5123040448614617,0.026176304161526748,0.018198539448188347,-0.049243309918628596,0.0068486397415829115,3.731234147981175E-4,1.0623157133834698E-5,-3.4708660040355076E-7,-0.013779530122817315,-0.14621191870283742,0.012366095477442881,-0.06303376174148408,0.004048022961502776,0.0037347823334685486,0.0033588935798273536,0.002899473992043716,-0.06900158199637925,-0.19289107449466508,-0.0017446380166521419,-0.0383550267881964,0.0018169038827372795,0.0019241984479914415,0.0020529519262963325,0.0022103172886690633,0.023579111671561587,0.16983430600651508,0.002581454830360839,-0.06488729097905535,-0.006854777898494032,-0.011081422145100026,-0.016153395241027206,-0.022352473469382652,-0.10545542230827268,-0.180032004247888,-0.014027389099307532,-0.019785144889299392,-0.001561540113395215,-0.0017337730328735679,-0.0019404525362475453,-0.002193060818149124,-0.11502649043286932,-0.16922225840022598,-0.017757406281674184,-0.014521719773710234,-0.002772910497035734,-0.0031133630403531926,-0.0035219060923341763,-0.004021236489199786,0.035777292549330965,0.13718157823058671,0.027296477158419354,-0.07488304510741865,-0.00949889824194283,-0.014429932078669347,-0.020347172682741162,-0.027579355643273414,1.5747956038763988,1.0058880586918733,0.8073454364922147,0.8621474674224393,0.700759183903988,0.7511917159315331,0.8055052253904864,0.8714728894097766,1.2634713388229704,1.2349247082629065,0.9290917622209213,1.0274995877911632,0.9151620633883247,0.9210979041313544,0.92822091302299,0.9369268127794337,1.5011365895023971,1.3503914915150512,0.9895346296282584,1.0122331402559113,0.9611611466797818,0.9569413456571653,0.9518775844300252,0.9456885429301878,0.7261044293592471,0.7438825263460329,0.7200625471051016,0.9826999889430053,0.6995251104703523,0.7530691096498178,0.8173219086651763,0.8958531074617258,1.6002113054559097,1.363219207890432,1.003621017912119,0.9936916737847366,0.9631980761762854,0.9585285634466489,0.9529251481710853,0.9460765295009516,1.616383004055718,1.3557967515262084,1.0029257238787297,0.9873829860239948,0.9589111460907436,0.9551880984449275,0.950720441269948,0.9452599713894178,0.5592523897845636,0.5065062452171891,0.743027032470858,1.1818909522343473,0.6871815602162309,0.7440442374955156,0.8122794502306571,0.8956780435736078,186.8997279220007,93.69986396100032,150.5026801024036,187.3409043925888,11.02005319956405,93.69986396100032,0.49999999999992895,0.10961169067816656,0.006447746510480386,-3.758379113754712,130.45620574993097,7.673894455878292,8.280763889939442,186.91159424945926,93.7050627038283,150.50862217302975,187.35147468316285,11.020674981362518,93.7050627038283,0.49853115819735194,0.1095234317555871,0.006442554809152182,-3.759748498770055,130.47075774848122,7.674750455793013,8.280953509266087,197.65739375712283,98.42970240050327,155.96911636950313,196.95328585466729,11.585487403215723,98.42970240050327,-0.797988956116285,0.030134539129702265,0.0017726199488060155,-5.953541585667023,158.32085108030668,9.31299124001804,8.60986025086021,186.9240488317493,93.71051921609364,150.5148590219333,187.3625690674299,11.021327592201757,93.71051921609364,0.4969896004379706,0.10943079988510562,0.006437105875594449,-3.7611869198321526,130.48605171547052,7.675650100910031,8.281152773994723,209.4917055374342,103.6635585043779,162.1689571460736,207.58177448271798,12.210692616630467,103.6635585043779,-2.1645885286783795,0.057410838468144154,0.00337710814518495,-4.857787688990983,194.90972089559614,11.46527769974095,8.96331201870977,188.1457034571605,94.24598591445857,151.12766446039683,188.45123437341636,11.085366727848022,94.24598591445857,0.3462683717566364,0.10035574635638128,0.005903279197434193,-3.908357701801962,132.09386657327872,7.7702274454869835,8.301971726460353,198.12005957852855,99.12495379990327,161.17659676509558,198.88174025079744,11.698925897105731,99.12495379990327,1.1771428571427691,0.15907796488523657,0.009357527346190386,-3.125213447977816,123.667250020286,7.274544118840353,8.189910634824729,0,11.996186389234637,15.998262572206258,-0.3496011462091506,0.26124329110438105,4.035963505186743,7.605641607767157,16.0,46.0,45.0,45.0,15.0,1.0,1.0,0.0,0.0,1.0,35.67020999999999,3.570932784504328,3.500531670154264,3.365805439334685,3.1748545785468054,2.9442556493698926,2.7183917837728657,2.5488727657227264,2.313169295304324,1.9467036737917973,1.8710360491363731,1.7514808680397616,1.6002924542167027,1.4596372818466576,1.3713558988817678,1.2094920823584179,1.0356228861678332,3.5721373240128678,3.4868379441208264,3.346908724299294,3.159309226766227,2.9401912058403115,2.729198771487688,2.54909102841953,2.321415535063797,1.890169320250779,1.8176594526620629,1.7037224853132473,1.5622401479030912,1.4217793943493027,1.2884574679720175,1.1247813553106483,0.9491159496567994,3.699151995974535,3.6301149881485517,3.5095225840456146,3.344001564321676,3.151246881822504,2.966541825701625,2.7975256468091803,2.5947883539766043,1.7150506830628731,1.629923650035053,1.4946519649342809,1.3209788429627916,1.1348292182231112,0.9814580663687276,0.8103506093859997,0.5995608097037427,3.590383759463879,3.5005422121392447,3.3560528550438566,3.1662686153307975,2.950027223405982,2.7525050449241264,2.577147775587227,2.3476396949850327,1.8558673013780742,1.7892429861548313,1.6811057614925322,1.5404670292041351,1.3858119860580382,1.2347051106148623,1.0733526622042442,0.8975726561111064,3.752883907812186,3.6780764534360006,3.5571807904190726,3.3993287634067944,3.2241789633438716,3.059579185221626,2.889722712731707,2.694353829299164,1.6616475178307863,1.5774804216469411,1.4424069483558564,1.2662151436980482,1.0693414817650233,0.891152118701156,0.7164423183918072,0.5008631063843183,5.1150617589435985,3.589547060441143,3.498050007206758,3.416968384544815,3.3205504734088658,3.109973318469046,2.856964022224013,2.5867163892531866,1.8199944208769865,1.7227284613663278,1.5703842799535528,1.377034883587508,1.162202685497471,0.9893219680937946,0.9042810816751373,0.706740439869192,0,0,1,0,0,1,12,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.49279927982674443,0.348461712529338,0.24639963991337221,0.10059223176554563,0.07112944921610614,0.050296115882772816,12.769738424614747,8.308060412490448,5.837629046513954,3.9974002407106264,2.3611369874317716,1.5445759751233812,1.0037917984192488,0.6472879875616907,0.7511610838008674,0.519253775780653,0.36485181540712214,0.2664933493807084,0.18162592211013628,0.1287146645936151,0.09125379985629535,0.06472879875616908,11.8017779551663,7.377156752707548,4.861666519092816,3.212125131752582,2.0356132022864677,1.3143958992096243,0.8410299058465969,0.5321979496048121,0.6942222326568411,0.46107229704422176,0.303854157443301,0.21414167545017213,0.1565856309451129,0.10953299160080203,0.07645726416787245,0.053219794960481216,24.557015265621775,45.978878368536094,43.580392156862715,44.20000000000002,27.93879640718567,361.7328682634731,0.522489686502591,0.9782740078411934,0.927242386316228,0.940425531914894,0.5944424767486313,7.6964440056058105,4.860500000000005,73.09400000000005,96.51601366215625,153.65046881156854,193.0320273243125,11.354825136724266,96.51601366215625,0.06259896920555941,0.003682292306209377,-4.710710994540087,140.76141857272262,8.280083445454272,8.410012863605228,365,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,12.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.453024348059625,-0.06858875094510952,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.487489597501357,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.717460313679303,0.0,15.064770755872848,0.0,0.0,0.0,0.0,0.0,0.0,-0.06858875094510952,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.849921558947429,4.603102789112196,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.603102789112196,-0.06858875094510952,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.21127551020408164,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.459201623203975,0.0,0.5907914201183432,0.0,0.0,0.0,0.0,0.0,0.0,-0.06858875094510952,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.849921558947429,4.603102789112196,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.849921558947429,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5125,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.258258690475328,0.0,1.4128776400367309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.849921558947429,4.603102789112196,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,34.16666666666667,2.009803921568628,0.5559027777777779,10.849921558947429,0.21127551020408164,-0.06858875094510952,8.876833373723432,1.7352554176117763,3.8499215589474285,10.422566077069906,1.7352554176117763,3.8499215589474285,10.422566077069906,8.16666,0.48039,0.0,0.01961,0.47731,0.7902,0.4283,0.47731,0.7902,0.049,0.0,-0.049,0.0,0.60794,0.10635,0.0,0.16327,0.06122,0.0,10.25,0.60294,8.75,0.51471,1.5,0.08824,-7.25,-0.42647,0.0,0.0,19.17729,1.12808,22.85191,3.67462,0.21615,7.18293,0.42253,8.30805,1.12513,0.06618,0.10595,0.00623,0.10595,0.00623,0.0,16.02,2,2,2,2,0,0,0.9333333333333333,1.133097855882247,1.6128768160762368,2.615299583011078,3.1669312030671732,3.484862524872455,3.6845821407854937,53.25559922646561,75.80521035558313,122.91908040152066,148.84576654415713,163.7885386690054,173.1753606169182,0.20399311022633485,0.29036835293202734,0.4708358535341794,0.5701468259186588,0.6273844235689796,0.663340210981169,4.4214909957953905,3.941712035601401,2.9392892686665597,2.3876576486104644,2.0697263268051826,1.8700067108921439,0.20399311022633485,0.29036835293202734,0.4708358535341794,0.5701468259186588,0.6273844235689796,0.663340210981169,9.8270042805424,15.754348169678789,18.992149433208272,21.156659861149723,21.954617437320834,22.002705891486908,62.83123232785535,49.49353480248085,43.98963791525654,37.88457353296562,35.03941896760777,34.66673803123526,17.0,14.0625,13.937777777777777,17,3,14,2.8899999999999997,2.296500000000002,0.06666666666666665,3.760305270007386,0.3922322702763681,0.0,19.17822877738171,2.2689233908192357,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,7.849,16.0,15.0,13.0,12.0,11.0,10.0,9.0,8.0,7.0,134.0,2.8903717578961645,2.9444389791664403,2.8903717578961645,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,4.990432586778736,1.0895522388059702,0.4666666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,0.8125,15.0,0.9375,2,8.0,15.0,0.875,1.5,0.666666666666667,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.09375,0.041666666666666685,0.016666666666666666,0.01230769230769231,0.00925925925925926,0.007421150278293135,0.00625,0.005486968449931412,0.005000000000000001,0.004722550177095631,0.2199593150251751,96.51601366215625,153.65046881156854,193.0320273243125,11.354825136724266,96.51601366215625,0.06259896920555941,0.003682292306209377,-4.710710994540087,140.76141857272262,8.280083445454272,8.410012863605228,26.3,282.94022278912274,5.08746284125034,4.174387269895637,4.844187086458591,5.53338948872752,6.2166061010848646,6.910750787961936,7.598399329323964,8.294799358992574,8.984568369308281,9.682279626689674,95.23936741844305,3.4965075614664802,0.0,4.574710978503383,0.0,5.7899601708972535,0.0,7.063903961472068,0.0,8.369388996647842,8.691482576512929,242.2245802,5.153714472340425,32.65490989036455,1.9208770523743852,5.135456837924933,5.135456837924933,0.0,790.0,15.0,6.752999999999998,64.0,1.2418043478260867,2.1403575054628656,2.871790116995686,3.6228016324120613,4.930749394095374,5.954164428315383,7.270160184428546,8.380847055979446,9.679808797338435,10.828195131742381,87.33010284515214,86.17498564263886,86.41992723568904,109.18742476526474,133.19009031364345,161.5973914125436,190.44267006780788,219.8729949482533,249.87524532061082,280.90445083404444,291.4242086069012,337.25661034784565,361.3506740442048,476.16042168855,590.9652525857524,717.5582373325462,846.570332907768,972.4346694609684,1097.792811321567,1218.3216205715037,9.270882947217398,15.722677408939502,20.57899602540112,26.211938224988224,35.25824455805263,42.682421240154085,52.13706961481717,60.26406971805512,69.7600898471458,78.35078490123527,2.1227683767586947,2.703617997841118,3.021975596322217,3.9781172607325512,5.046126598282335,6.1207277591322145,7.254240305027406,8.320889122468692,9.399762397866846,10.397929958971494,178.84321008601745,333.09158357035,469.81814445951875,584.5613505794319,808.9030440515241,974.4645566919413,1197.8578051802697,1381.3130860400913,1602.951107322356,1796.3867504126813,2.851567028985507,4.47154319881941,5.072410407519967,6.678036190946361,8.319868971323212,10.229937555323088,12.603416184525646,14.849946138855074,17.52831839061055,20.258695906951573,0.45734135869565207,0.5946417901753704,0.6670176315531433,0.878633725335028,1.113799847300345,1.355048641505925,1.6152629341939546,1.8620841913365258,2.1190485103303573,2.363721987717598,677.1625733993397,831.9343916263513,22.898632180009177,212.48640514560384,-261.0521537040556,-23.57081730131443,464.6761682537359,1092.986545330407,46.46944948132361,0.7611570290417982,0.9351265630485105,0.02573895180260961,0.23884297095820176,-0.2934327583121793,-0.02649451398220615,602.436991733588,740.1295817267926,20.371744729021543,189.03831329247353,-232.24478188977074,-20.96975353558387,0.21259627849153387,0.2596141270327576,1.9656446815689617,4.55440560100007,831.7326953221573,57.91628322278642,0.9348998485700385,0.06510015142996152,1144.7187129446145,33.83369197921821,10.46083280377357,1435.3297953982435,37.88574659945668,11.28021126192486,1994.7189557931904,44.66227665259789,12.588111225980855,4.877447844536233,4.877447844536233,8267.82619662217,8186.928896408233,127.5897942381971,1.0098812755353754,64.80005901715764,64.16601692392476,7.2956754854465204,10.29758031307698,19.6418026217276,0.9074192212693226,8.380242660651206,12.829684150040974,7.459284889529545,57.318582218869736,24.40500843325273,1.5519723812882689,10.159919151074115,9.430201435905547,42.91112055586207,1.5582377625218886,3.7000797051668872,38.268098859905955,6.28263131186676,42.59410784177356,3.393655848867165,3.981650419838752,19.54261363868297,4.132569262672021,33.0966084023588,3.7663140651919327,6.352854975580206,12.063609755153948,3.851597547820448,19.226939501259203,3.656756872223237,6.508622017644815,6.137931786661167,2.918191033553419,4.068758155345845,3.6625462772028277,0.7198032163159571,12.98027033349373,0.6613874590369802,12.995566174197453,0.40038109382940323,1.0724911077414216,1.5108377339602854,0.34600518376299155,12.074346343257748,0.053311425412261464,1.9399492829163585,3.478003313198209,0.2123464205689471,9.594393197406742,0.07855147436400034,2.1866533687845506,0.9251842245919545,0.1672908468334202,6.470669278100369,0.10713890374076214,2.355901918539218,0.4128076697146286,0.17370698827769399,3.5586263171800296,0.13247168067497359,2.3902925633952607,0.21731357435301382,0.20520038860306286,1.1934971698715662,0.15506234566004487,2.2761950892643714,12.69921385793505,1.6224856912574817,15.73659303660456,2.271041326612623,0.952626442784013,3.154695932893118,1.3038267186725987,15.434936825764709,0.22313682448941427,1.8017246918613519,8.961760072356741,0.8268046600346515,14.37203286447214,0.38948073237191216,1.9332755046400973,3.056526991457059,0.5539871747698136,10.527189086626976,0.48353510418025375,2.348584504682563,1.5207297080405069,0.4989430922352802,5.935696825326309,0.5425614566737983,2.4563053967702033,0.8603123248936355,0.44969097486458887,1.7209430751768797,0.600921334177535,7.915380571576184,12.980206574704093,8.01635804976396,53.4228241504137,22.112646327223658,1.7778522351739958,9.905892045589177,8.71133332937838,41.46863850119735,1.4175130720322207,3.7390176074781225,35.93189548221947,5.691417392297153,40.6087917756827,3.061315807295839,4.120824174749696,18.37360087576737,3.74123075837994,31.326503573609553,3.411224472351333,6.467225800156707,11.353752341493333,3.4777967393993654,18.14878151843655,3.331585405912271,6.835326663816628,5.659409161622123,2.646355309990573,3.9579645803583445,3.3522705763694542,3.347111017970468,12.592445228395164,2.123938397025441,19.326879931358743,4.391539123892138,0.8935882530588533,4.246183323036662,2.1884443967420504,18.39191368052119,0.3805023028068359,1.8707105359591105,13.224405858041866,1.433867696936702,18.147723472360937,0.7115239196797774,1.9553861518242428,4.881421086731601,0.944993218695144,13.683754733117846,0.8519341936433064,2.571308121643491,2.544150782426187,0.8486076641165786,7.7934631361029725,0.915910419024696,2.6710567124056657,1.4483674428121325,0.7094167091791755,2.0918178986652545,0.9871858317722323,10.12037969417283,12.925330360757892,10.019298147791854,77.94298393500468,35.09464825400595,1.900272958640417,12.37136420773744,13.062976282354985,54.51322414159843,2.1344529907749363,4.533683535309762,48.45193935969847,8.727229705476462,53.107768255910194,4.771076023761795,4.902586758009705,26.719779729584463,5.753627709031484,41.32159175691175,5.229879670156812,8.07889742517837,16.992566348995314,5.4112430411782455,24.097129110560605,4.984955523314413,8.193118274445494,8.469287043568077,4.058401102505168,4.778032565852097,4.919847444338448,5.439688442632591,12.816412516085986,8.196136068576717,35.35458764390176,12.069781858423799,2.951192128792267,7.386279611047704,5.428020658725312,34.458937999409095,0.7365601776945451,3.5837084393016254,24.339291272085294,2.8975793527069027,30.73858301747901,1.5060271065459732,4.240256517218194,13.318090557721424,1.910609624324084,22.565686522031182,1.723555240238322,6.067862246804058,8.513649866836765,1.7646243441108946,13.091144640537491,1.7477445491296475,6.872115981812926,3.4442680075621053,1.4152951339759317,3.911839167755838,1.808982892998551,33.39688728065071,0.8041342706945547,0.4928719212765957,0.9626157210347503,0.02317797716561056,0.5321951672932226,0.6355092852468402,0.5957333234902872,34.69389347262186,43.71230479852811,91.64256036981166,0.9439235815521256,1.76343777603035,34.58787908957591,0.4321745778647994,0.09632842886597952,0.9849499585327053,0.012306922070717891,0.5707424183549974,0.18231809781526823,0.02275583065598353,35.11638209630669,18.321428793363037,54.87772844132846,0.977424937799058,0.7758163468262491,32.91125408707695,0.5435797871069408,0.25555692059741547,0.9762940538847722,0.01612499215497354,0.516812195454502,0.290363238707419,0.16016183355233077,33.710390794781304,26.43950681406026,64.72178344342414,0.9644410808271583,0.9673372677142518,33.81004114060071,0.7996859473392863,0.47556296581285895,0.9636528895386534,0.022792627511818132,0.5454195476175943,0.6283621439587822,0.5546254486120911,35.08529005375285,43.49651923901592,91.43980245303071,0.94547933430798,1.7284071401884677,32.469633835261554,0.607027921356746,0.3310539721057916,0.9719202024741855,0.018170291147287895,0.5030734491700227,0.3620775063939717,0.2687703429560696,33.40771572872409,30.660134592761707,70.592915614937,0.9578803037112784,1.1339212985200642,33.59510242691528,0.8400626361874741,0.5214548092940865,0.9610512271938321,0.024031575113783284,0.538525823637231,0.6935643522275016,0.6668330152238979,34.95661987239684,46.1783727387333,95.85148518495365,0.9415768407907482,1.8989231910886304,33.80586454411649,0.8058255117268711,0.4783654705427394,0.9634029937255596,0.02296449805047836,0.5452649366775772,0.637609853509967,0.5611815534357311,35.0900555263861,43.79866549547492,91.92017526417831,0.9451044905883393,1.7440563436232752 +UMLCN0182,L,ethyl acetoacetate,CCOC(=O)CC(=O)C,Esters,Ketones,C6H10O3,Marquardt (2015),IQT,PubChem,,13.7,0,0.042500000000000634,0.001806250000000054,31.6018,19.633929999999992,0,0,19,9,10,0,6,0,3,0,0,0.0,0.0,0.0,0.0,0.0,1643.6493689999988,1466.7833199999995,1835.2478609999987,1485.8182229999989,1536.3774589999991,714.6490309999998,471.6351819999999,127.11988800000002,9.144576,3501.1111856983534,4052.351779005791,4790.125605736051,4455.291062236086,3685.899755196541,2815.3772735210337,1994.6690626258153,1120.9630566850935,279.75369987837234,152.482884,141.47392000000002,244.24431600000014,266.5453080000001,202.31555600000013,187.0527080000001,133.768576,111.43007999999999,60.46617599999999,23.109141048489988,27.648403100000003,33.69557493079201,30.603763431093995,25.75488450109399,21.303313663396004,16.773807881094,10.953247247094001,4.001516143641,3166.2965141899904,2651.7762151490006,5019.731338288593,5397.331448419594,4095.621211696795,3885.1189729476464,2984.9925317459943,2583.794028511344,1664.258868218241,138.30555555555554,63.75000000000001,115.19444444444447,132.91666666666669,150.0,85.16666666666669,51.5,39.0,9.0,86.50786152631572,81.4879622222222,59.20154390322576,46.431819468749964,61.455098359999965,31.071696999999993,26.20195455555555,8.474659200000001,1.016064,184.26900977359756,225.1306543892106,154.5201808301952,139.2278456948777,147.43599020786164,122.40770754439276,110.8149479236564,74.7308704456729,31.08374443093026,8.025414947368422,7.859662222222223,7.878848903225811,8.329540875000003,8.092622240000004,8.132726434782613,7.431587555555556,7.428672,6.718463999999999,1.216270581499473,1.5360223944444447,1.086954030025549,0.9563676072216873,1.0301953800437595,0.9262310288433045,0.9318782156163334,0.7302164831396001,0.444612904849,166.64718495736793,147.32090084161115,161.92681736414818,168.66660776311232,163.8248484678718,168.91821621511505,165.83291843033302,172.25293523408962,184.917652024249,7.27923976608187,3.541666666666667,3.7159498207885315,4.153645833333334,6.0,3.7028985507246386,2.861111111111111,2.6,1.0,0.37957635361156394,-0.169307826010781,0.0921292309197547,-0.2670869887997051,0.2302317845917032,-0.06675233026742822,3.1716601298180424E-4,-0.01637515952872729,0.007055946276419922,752.2177664210529,-6.056186714681282,204.0394645761773,-378.86238934072026,158.71646713019396,-455.07949756232676,-69.49003881994471,-136.49863801662065,307.12193553739587,875.3230922526714,-129.64669625244142,-12.704438039254356,-33.82177130816758,-101.29891340242114,-211.50462846481543,-139.68066940021623,-152.79645659278412,343.79202733376474,2.6367701052631576,-0.060465994459833916,0.633563301939058,-2.0192519667589988,1.3297159667590033,-1.4098172853185578,-0.026091678670361794,-0.18717008310249422,0.421132686980607,3.9208166882321054,-1.0195687852767275,-0.9534118516661702,0.7223809156762427,-0.8635009320277167,0.2504195418260819,-0.6684566588079947,-0.45738354092818995,1.0291129670884216,22.53094870870577,-6.348402901751774,-6.479856294744273,4.522062170149499,-4.78345550515624,2.8364251535079315,-3.715320851446218,-2.162459100070576,4.865532975158765,62.97076023391815,-2.274930747922437,10.777239150507844,-40.21537396121881,32.74461372730073,-30.7263004001231,-1.581948291782091,-9.051477377654667,8.842797783933513,0.01997770282166126,-0.009405990333932279,0.0029719106748307966,-0.008346468399990785,0.009209271383668128,-0.002902275229018618,1.762033405454468E-5,-0.0010916773019151527,7.839940307133247E-4,39.590408759002784,-0.33645481748229344,6.5819182121347515,-11.839449666897508,6.3486586852077584,-19.786065111405513,-3.860557712219151,-9.099909201108042,34.1246595041551,46.069636434351125,-7.202594236246745,-0.40982058191143084,-1.0569303533802368,-4.051956536096846,-9.195853411513713,-7.760037188900902,-10.186430439518942,38.19911414819608,0.1387773739612188,-0.0033592219144352176,0.02043752586900187,-0.06310162396121871,0.05318863867036013,-0.06129640370950251,-0.0014495377039089885,-0.012478005540166282,0.046792520775623,0.20635877306484765,-0.05664271029315152,-0.030755221021489358,0.022574403614882586,-0.03454003728110867,0.010887806166351387,-0.03713648104488859,-0.03049223606187933,0.11434588523204685,1.1858394057213562,-0.35268905009732077,-0.2090276224111056,0.14131444281717184,-0.1913382202062496,0.1233228327612144,-0.20640671396923435,-0.14416394000470506,0.5406147750176405,3.314250538627271,-0.12638504155124652,0.34765287582283366,-1.2567304362880878,1.3097845490920292,-1.3359261043531783,-0.08788601621011617,-0.6034318251769778,0.9825330871037237,-0.4708244194990041,0.14876138169441772,-0.41778919601011105,0.46097749405315885,-0.1452757233865629,8.820000083012272E-4,-0.05464478632305401,0.0392434524485599,-0.00849839211134147,0.16625032219800043,-0.29904843213333177,0.16035850308729346,-0.4997691544901314,-0.09751244892972386,-0.22985135759778536,0.8619425909916936,-0.15634146031324528,-0.008895676493896842,-0.022942016373112783,-0.0879528654816031,-0.19960768356871522,-0.16844146794947892,-0.221109416698665,0.8291603126199948,-0.02420583282815215,0.14726842918005578,-0.4546967719597605,0.3832659255047126,-0.4416887419027811,-0.010445057883240105,-0.08991383237769902,0.3371768714163674,-0.27448656265925614,-0.14903762299373924,0.10939396120458927,-0.16737857454819505,0.05276153761066376,-0.17996075714803053,-0.14776321650399246,0.5541120618899686,-0.29741721214161965,-0.176269755754956,0.11916828040573425,-0.16135255691714592,0.1039962343688487,-0.17405958426864335,-0.12157121724000132,0.4558920646500021,-0.03813382243684991,0.10489637755835682,-0.3791899319743681,0.3951978083209511,-0.4030854302603524,-0.02651761391778114,-0.18207187964338784,0.2964570950965822,1.3700610988238648,0.8685953868183667,1.811881187614056,0.7586667841293863,1.1147935759300718,0.4894785404475062,0.5338724346427105,7.359032032495173E-4,0.8470131409304719,0.7648761760136682,1.3489509765524077,0.8173427878009669,1.5012669482424628,0.9531098852013691,1.1171655545950165,0.0,1.364678284958791,1.0085124634047296,0.8723737141594099,1.0370402566165973,1.0556247807746066,1.1437848036268474,1.097496187571997,0.0,0.6703307188108447,0.7335881205363569,1.8130842599654218,0.6780440950962494,1.6533674681541422,0.6200540565658558,0.8023061228498212,0.0,1.6677569864133124,1.1759149812477994,0.7372693469291622,1.1349644655573474,0.7947135508268006,1.127492158843643,0.9324672371339819,0.0,1.7066539924431696,1.2034884289429562,0.755322833360593,1.1399815724934497,0.7612283021576195,1.0939409626356025,0.8735352387900019,0.0,0.5690471768202079,0.5654185939222545,1.6865466544390781,0.8029123328380382,1.6715832741133143,0.8026211924219908,1.0862184249628526,0.0,38.317221542675696,19.533610771337848,30.245785008687676,38.90055487600903,4.322283875112115,19.533610785500507,0.7499999999999964,0.009733282277989308,0.0010814758086654787,-4.1689836934216435,37.639975956115975,4.1822195506795525,3.26526000833838,38.33234099190467,19.54006886460038,30.255571991157424,38.91396067646829,4.323773408496477,19.540068878665195,0.7477967372960848,0.010004008106519136,0.001111556456279904,-4.144292510075379,37.66375678475038,4.184861864972265,3.2658284462020406,51.802870706964356,25.302943636395135,39.43851251770646,50.87188359149562,5.6524315101661795,25.302943636427894,-1.19698343417409,0.19050694796001683,0.021167438662224092,-1.4922599515644759,81.3044120332347,9.0338235592483,3.9583802552694776,38.348209381424894,19.546846891040857,30.265845341786125,38.928030581935744,4.325336731326194,19.54684690500372,0.7454844006568244,0.010287968390900681,0.0011431075989889645,-4.11910216552414,37.68880084055499,4.187644537839443,3.2664266913516258,66.17220295250543,31.462660079743987,49.82800193220045,63.64684966904741,7.071872185449712,31.462660079744047,-3.246882793017452,0.2896418831463566,0.03218243146070629,-1.115199004323129,37.03692057843464,4.115213397603849,3.25072374173154,39.901809297932566,20.21060592778372,31.279267896581807,40.30578906498191,4.478421007220213,20.21060593464539,0.5194025576348764,0.037215714515363874,0.004135079390595986,-2.9619217563247062,40.62583960003583,4.5139821777817595,3.333963876762731,36.276144215598435,18.55701571703873,29.480486767360787,36.9197068258277,4.102189647314189,18.557015767396543,1.9306878306878268,0.09590367767253616,0.010655964185837351,-2.1099698539129976,31.680695771514657,3.5200773079460728,3.11013677627076,0,11.889999999999997,15.99691917130088,-0.3158509006290475,0.2685468933291152,4.017806655103978,6.784570434586877,8.0,18.0,16.0,16.0,6.0,2.0,2.0,0.0,0.0,2.0,14.764069999999998,3.599502340325288,3.2356916367699036,2.8951859954529877,2.1638444799899585,1.9250346951963524,1.7353609573181776,0.9739476803052121,0.08392307051869154,1.7388165529300992,1.630364798095664,1.288955907598394,0.8741949366934433,0.4705149050532999,0.19394148258917973,0.08392307051869098,0.08392307051869105,3.484653788627306,3.1451866002262396,2.81133802849309,2.1219291490839898,1.851114003246487,1.5514340761747605,0.6044196331952065,0.2709139018929374,1.766970216636253,1.5852527040707365,1.26506783404683,0.8195175429785515,0.5953135476966933,0.3099005127957045,0.2709139018929369,0.27091390189293707,3.662944235565237,3.365330815442378,3.0499149096829306,2.47224820030787,2.245238817557375,1.99890863164264,1.2268975822955683,0.9439184268026231,1.562257153332549,1.3216612528791747,0.9693294506664082,0.3987771762180225,0.1778359071394447,0.17603980163817323,0.9439184268026217,0.9439184268026217,3.460724304089845,3.145020192252998,2.796271257214361,2.12160879983598,1.8684382668503752,1.515849505892058,0.4595935772677185,0.3992772455089828,1.7872350804888522,1.5631504769758295,1.2573733756477452,0.7937101961376765,0.5932218155583154,0.33498741368473006,0.39927724550898164,0.39927724550898186,3.668432327318962,3.412228714004505,3.0901470745725272,2.5584561868230042,2.34348423460366,2.0606180723259944,1.2089363533495026,1.2076448229620884,1.5462707593797496,1.2618992339554718,0.9216662156020153,0.31495266846500913,0.08192423913066119,0.24314766496872814,1.2076448229620866,1.207644822962087,4.845177378312346,4.740841424053029,3.363147917136332,2.865024460211594,2.608791772457598,2.3362497084161022,1.5486549562496712,0.5806451612903227,1.5144119663002449,1.387719970202431,0.973262364646642,0.5125662489171877,0.11285598852885369,0.451087912442924,0.5806451612903217,0.5806451612903221,0,0,1,1,0,3,1,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696923425058676,0.0,0.0,0.0,0.20326313239628543,0.0,0.0,0.0,0.6064930722941141,1.0576775358252053,0.6380711874576984,0.1432982328648094,0.16291647825643565,0.08303330332611435,7.276020881938894,4.163902460147014,3.52339596063022,1.6552478622747717,1.4153882641488673,0.3535533905932738,0.23570226039551587,0.0,0.8084467646598772,0.5204878075183768,0.3914884400700245,0.23646398032496738,0.20219832344983818,0.11785113019775793,0.11785113019775793,0.0,5.638958433764684,2.8152611326637027,1.6838129682396143,0.6986082512549977,0.41528180641911305,0.1228954059492991,0.07186436964131622,0.0,0.6265509370849649,0.35190764158296284,0.1870903298044016,0.09980117875071395,0.05932597234558758,0.04096513531643303,0.03593218482065811,0.0,10.853536332179933,19.431172614712306,18.674509803921573,19.000000000000004,11.43349101796407,146.34753293413175,0.5712387543252596,1.022693295511174,0.9828689370485039,1.0000000000000002,0.6017626851560036,7.702501733375355,0.5286,31.930999999999987,23.544109154964154,35.61764690048349,47.08821830992831,5.2320242566587005,23.544109155161646,0.046214986674228964,0.005134998519358774,-2.7670060319475804,47.540601386427205,5.282289042936356,3.4754257007695775,72,0.0,0.0,3.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,25.131485260770972,-0.5986574074074069,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0098157596371882,1.2209027777777777,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.064440665154951,0.0,0.23606481481481456,0.0,0.0,0.0,0.0,0.0,0.0,-0.5986574074074069,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.638568594104306,4.492916666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.492916666666667,-0.43981481481481466,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4091907596371882,0.5070138888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3580555555555556,0.0,-0.1033333333333335,0.0,0.0,0.0,0.0,0.0,0.0,-0.43981481481481466,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.228151927437642,4.492916666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.410416666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.600625,0.7138888888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7063851095993954,0.0,0.33939814814814806,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.410416666666666,4.492916666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,27.833333333333332,3.0925925925925926,0.7138888888888888,10.410416666666666,0.29118055555555555,-0.43981481481481466,1.5220323025321236,2.1064814814814814,3.410416666666667,15.26297052154195,2.1064814814814814,3.410416666666667,15.26297052154195,3.99999,0.44444,0.0,0.05556,0.61053,0.95556,0.42414,0.61053,0.95556,0.18639,0.0,-0.18639,0.0,0.46511,0.24918,0.0,0.41667,0.25,0.0,8.0,0.88889,5.0,0.55556,3.0,0.33333,-2.0,-0.22222,0.0,0.0,5.60558,0.62284,10.47473,4.86915,0.54102,2.34208,0.26023,4.16389,1.82181,0.20242,0.25011,0.02779,0.25011,0.02779,0.0,8.03,3,3,3,3,0,0,0.6666666666666666,1.4329831210560051,2.394281147713395,3.536886723742169,3.536886723742169,3.5368867237421693,3.3133115914556646,27.2266793000641,45.49134180655451,67.20084775110121,67.20084775110121,67.20084775110122,62.95292023765763,0.337336999400528,0.5636351232774378,0.8326146603370332,0.8326146603370332,0.8326146603370334,0.7799830813896649,2.81494439238758,1.85364636573019,0.7110407897014164,0.7110407897014164,0.7110407897014159,0.9346159219879207,0.3315610740380333,0.5539844937600228,0.8183585302879377,0.8183585302879377,0.8183585302879378,0.7666281156725296,13.518296257685599,25.63311154382944,28.362246422738227,28.362246422738224,28.362246422738224,25.679344835300174,33.87020344840431,20.181180677754462,17.304865323324606,17.304865323324602,17.30486532332461,15.96341452960558,9.0,4.839506172839506,5.877551020408164,9,3,4,1.79,1.0441,0.16666666666666669,1.5905414575341013,1.5443895803843586,0.0,0.33333333333333337,2.378414230005442,0.0,0.4999999999999999,0.0,0.0,0.25,0.7071067811865476,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.758,0.7450000000000001,1.029,0.219,3.9779999999999993,9.0,7.0,7.0,3.0,2.0,0.0,0.0,0.0,0.0,45.0,2.3978952727983707,2.6390573296152584,2.3978952727983707,2.6390573296152584,1.6094379124341003,1.3862943611198906,0.0,0.0,0.0,0.0,4.143134726391533,1.3777777777777778,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.5,6.0,0.75,0,3.0,6.0,1.0,2.5,0.666666666666667,0.625,0.16000000000000003,0.1111111111111111,0.0,0.0,0.0,0.0,0.0,0.3125,0.07407407407407411,0.08928571428571429,0.02285714285714286,0.037037037037037035,0.0,0.0,0.0,0.0,0.0,0.5357539682539683,23.544109154964154,35.61764690048349,47.08821830992831,5.2320242566587005,23.544109155161646,0.046214986674228964,0.005134998519358774,-2.7670060319475804,47.540601386427205,5.282289042936356,3.4754257007695775,43.370000000000005,133.43012915608338,4.169925001442312,3.5553480614894135,4.204692619390966,4.962844630259907,5.631211781821365,6.398594934535208,7.072421900537371,7.841885928984623,8.517393171418904,9.28720881623276,74.47160184467053,2.833213344056216,0.0,3.970291913552122,0.0,5.25227342804663,0.0,6.608000625296087,0.0,8.00202481821611,8.29254851397576,130.06299418,6.8454207463157895,16.49037012099532,1.8322633467772578,7.639035736809669,7.639035736809669,0.0,102.0,7.0,0.7100000000000001,34.0,1.2408888888888887,2.1275569832558983,2.9194791195704357,3.749069102200808,4.858450374800909,5.805366414089788,7.021803940876498,7.911866820538052,0.0,0.0,111.01929715411106,138.61346798372693,144.9353188801281,245.83916377410426,165.1296607479906,168.94429647431423,60.80321284532775,8.038963049143172,0.0,0.0,300.009394916125,352.1941382538438,431.3774412203852,600.597942508941,634.4370597843337,695.7820596017441,539.2161774802903,245.93044622116156,0.0,0.0,9.809670659111111,16.930693704745824,24.341559118046025,30.15557547184317,39.58293823943772,43.07473135474355,52.044740646568556,53.15559240657936,0.0,0.0,2.0095683450166657,2.423437142534488,2.9400924278755065,4.170083116470044,4.741053985231778,5.77290858837295,5.266778297832179,3.517718089857844,0.0,0.0,181.2221117609343,341.22083568440183,489.0557503894625,603.4892319317617,814.5655346444955,949.373950036146,1202.5641420666984,1463.0438355824565,0.0,0.0,4.473898148148148,8.384396116033146,12.18412908664953,20.653573802016513,17.984998068939728,16.639159844902746,18.02799707775805,7.911866820538052,0.0,0.0,0.47495583333333347,0.6209861154773261,0.7906498864381903,1.0784440289710788,1.216477936621706,1.3537739453230104,1.2717342917090022,0.8101751624230964,0.0,0.0,380.56176755604423,352.5982307934629,16.55424692458191,169.0035721398823,-156.58525268311973,-28.832754223932632,211.55819541616194,509.18348347658264,45.38700114851454,0.6924777457155656,0.6415947391961707,0.030122436276169357,0.30752225428443447,-0.28492563371947377,-0.05246465186448211,209.14355706221966,193.77576648219213,9.097640334518104,92.87850553287943,-86.05382758217117,-15.845482369444696,0.2897938172982006,0.3408039486014031,2.187269941270146,7.1531079204977,452.73642265530486,96.82891704062169,0.8238081806720255,0.17619181932797465,719.8723431835353,26.830436880221228,8.962279756376532,816.7427040014117,28.578710677730225,9.347491692785686,1268.0112353446536,35.609145389136394,10.823665626672774,2.0793178984989256,2.0793178984989256,766.1222998813441,680.390966392841,99.13149665767433,1.1260030449008107,7.728343924100678,6.863519560714391,4.2421668139192725,4.468204105856302,8.58130177741532,0.9205259146886644,2.8154466280291315,4.38009981801545,3.18104387810861,11.262466019692228,3.827087531628476,1.7345309325958835,5.254992922790921,6.463574918035524,0.49844169784562237,2.9372405823709076,1.9165080307990074,1.812947965934449,2.474311518083014,0.8205179361351286,0.5108711797129659,1.5553196827093128,4.869580366519889E-8,4.4289086677570754E-37,7.769227103419843E-88,2.6286624026005884E-160,1.7154091225963863E-254,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.26928221099534155,4.531172852216951,0.29402726506793214,6.9927734293063075,0.34639003587216266,1.6429656853551873,3.3436836332530846,0.7461143734946998,0.24989051879860008,0.23776959951487067,1.5214494115804178,0.0811436866902021,0.13726975429738614,0.006016101306984008,0.04271969151546441,0.010954243696479151,3.4296852684027136E-10,3.1193165877993495E-39,5.471930174245598E-90,1.851388423484703E-162,1.2081766711362523E-256,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7744804417967953,4.249965138926902,0.6625628979443982,5.04365404100019,0.5724062294455476,1.51475371897068,1.9222343255002237,1.375197724200403,0.1913665552094156,0.4764522454852533,1.5998785343643667,0.2992913448598517,0.46216192704636416,0.06044510343378112,0.13800596965695258,0.11415166508359625,3.5739964797997473E-9,3.250568385059986E-38,5.70217312959792E-89,1.929289480068811E-161,1.2590132422349493E-255,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6677778956001625,4.5307337185744165,3.4917467631653754,13.059163751234026,4.069043223163654,1.8052071922802948,6.084006423954711,6.732511060576942,0.596393165889291,3.3506759375782726,1.8935779523422127,1.6757206809564091,2.2971210745767308,0.7310936093169175,0.48211455368915257,1.3857618360300463,4.3387084368723153E-8,3.946077886926289E-37,6.92224147553702E-88,2.3420908754819382E-160,1.5283986447924001E-254,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.126284505635745,4.143113241321424,0.8407787951157566,4.662944894642661,0.7282707554880864,1.4767986847834547,1.7640645891655644,1.7811498202547924,0.17009354967331827,0.5583019886358415,1.6544763339784654,0.48513983203543304,0.7253696795722075,0.13101301063372653,0.20349819682137826,0.24795267026362097,7.763197935222009E-9,7.06066889484165E-38,1.2385881999652474E-88,4.19067455515651E-161,2.734744999828082E-255,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.40010558522218,4.475594487437974,4.350102375567225,14.430685207954365,5.5264593864501,1.840936666109139,6.917820869114707,8.78887118385774,0.6535325773454083,4.261145891583846,2.0072057220867996,2.440743580057506,3.269520274949697,1.196534635219275,0.6174538490532253,2.26828758584144,7.10182531374721E-8,6.459147056121012E-37,1.13306875661547E-87,3.833657068365825E-160,2.5017629884593772E-254,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.796539555633292,4.567883160206791,2.732421697903791,31.314128100674935,4.138102640242448,1.8133798840440138,14.290100259879601,7.658368144794311,0.9746017255072795,2.6891405557419668,1.8397840628146034,0.8860469962012897,1.4101284816317932,0.27688321999523996,0.34380304560530056,0.5243741698208295,1.6417731932907846E-8,1.4932012573915629E-37,2.619385620715951E-88,8.862503833949951E-161,5.783481329045048E-255,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.929107332798307,0.8385508593630534,0.3498979105263158,0.8696527055600964,0.09197101174029135,0.606606487698917,0.43350598321884565,0.42103638851778014,9.117556102687677,9.716745049546105,21.160758282195502,0.8044790583401448,1.4611488594355428,5.234735685867289,0.8363594490224511,0.051491396251815286,0.8549876198958798,0.13660230766334502,0.2674292665196368,0.38836824928154534,0.009118140304517424,6.122586531141555,4.690729819283203,11.03875189585865,0.7824814298438196,0.6649156561056996,6.614681139876197,0.7065192023616951,0.16594148679012063,0.8834721300764942,0.0943643406917291,0.42174145147842684,0.30938394130781344,0.09469932591287615,7.487141829028013,5.888290112701575,14.150942760447341,0.8252081951147412,0.8258247186991163,7.564198570745487,0.891807495893655,0.3229463678848533,0.8616288363744423,0.10158472808060157,0.5516344408618993,0.49297052547648107,0.35867222154151196,8.778952434523994,9.476645431852294,20.434132376791506,0.7924432545616634,1.4032771878798922,7.321120563624054,0.6576604520396407,0.2321617431098732,0.8916297164294904,0.0800956079418428,0.516870047243856,0.26767630139346626,0.18536094952308924,8.210942758773568,6.667179167798153,15.995936947710454,0.8374445746442357,0.9699072981604115,8.016549723695482,0.8759194641054968,0.3698982344058258,0.865496838796911,0.09456755753452985,0.6200865596715656,0.47285167144210205,0.4705453114859104,9.262367422206804,10.311160590030205,22.170898646345474,0.7982452581953664,1.563483542599578,7.627924659860683,0.9104985500266336,0.32520694639883424,0.8605869745649195,0.10272298527493291,0.560944631369609,0.5139870720222856,0.3637111045523175,8.86363015628615,9.721968881663939,20.84423098636496,0.7908804618473794,1.4386428079442122 +UMLCN0183,L,isobutyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCC(C)C,Esters,,C20H40O2,NREL (2014),Unknown,PubChem,,84,0,-3.1644999999999985,10.014060249999991,73.57039999999999,63.475719999999946,0,0,62,22,40,0,20,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3437.860981999997,3657.529665000003,4333.349826000013,4156.294368000028,3832.4435349999967,3794.5454669999995,3344.5562000000004,3063.230287,2866.473558,10146.469366152547,13120.957392536151,17689.483788209305,18703.76931723558,17425.153850791143,16536.45886917195,15855.38362753646,14729.508431999702,13722.710087044574,446.2523119999996,450.53622000000036,857.6023680000012,1173.6387600000025,1166.876116000004,990.4540920000027,996.7647200000026,957.6743800000027,894.7894800000026,74.84892419395989,98.7599923999999,144.54977138837612,161.83722628003449,150.76208505567533,140.68645539184604,137.00348951214795,130.10870759493966,121.08717873554363,10303.49577437496,8867.230303381,18454.75022254474,26977.064383547764,27154.637576779776,22614.11611057413,22736.721177086383,22365.672186161875,20886.7170311233,151.55555555555554,129.16666666666669,226.9166666666667,281.63888888888886,280.5,253.74999999999997,257.5,215.25000000000003,203.00000000000003,55.4493706774193,59.95950270491809,36.7233036101696,25.343258341463585,23.65705885802467,27.49670628260869,24.235914492753626,22.69059471851852,22.749790142857144,163.65273171213786,215.0976621727238,149.9108795610958,114.0473738855828,107.56267809130335,119.82941209544892,114.89408425751057,109.10746986666446,108.91039751622678,7.197617935483865,7.385839672131153,7.2678166779661115,7.15633390243904,7.2029389876543455,7.177203565217411,7.2229327536232075,7.093884296296316,7.10150380952383,1.2072407128058047,1.6190162688524574,1.224998062613357,0.9868123553660639,0.9306301546646625,1.0194670680568554,0.9927789095083185,0.9637682044069604,0.9610093550439971,166.18541571572516,145.3644312029672,156.39618832665033,164.4942950216327,167.6212196097517,163.87040659836327,164.75884910932163,165.6716458234213,165.76759548510555,2.444444444444444,2.1174863387978147,1.9230225988700569,1.7173102981029809,1.7314814814814814,1.8387681159420288,1.8659420289855073,1.5944444444444446,1.6111111111111114,0.32491687972240824,-0.16553982205059045,0.022352685709010833,0.015501555900731923,-0.06695586013921664,0.06016047470474613,-0.035079956180310484,0.004061826835617709,2.066112339447004E-4,1862.3770877419324,-20.785182068673123,-442.0373071217413,-88.90213112382743,121.8187306420402,4.972295477629839,-449.8613105223717,9.271724432883016,8.07093265348649,3034.7686862162686,-155.33385656032036,-1067.9579224377767,-403.5127227861403,569.9619463810352,-100.57463220806153,-432.3726649960445,7.095895133919157,6.935879777338187,2.293207741935486,0.05870954422475288,0.8437881040582603,0.04147732778356036,-0.501947325702402,-0.03514058688865923,-0.6016667804370551,-0.034124986472415235,-0.04369108844952405,13.495788104953514,-1.0420359085323285,-4.940572951824605,-2.562691007942491,3.329075420832494,-0.8443741176409223,-0.9389998535640861,-0.027890793720145135,-0.02826239520546836,74.12774690346961,-6.246693019589881,-26.67678948694028,-15.238735713538468,19.212600725258536,-5.305107195518936,-3.5878384782548522,-0.2749301246019433,-0.2809087264929806,43.103942652329884,0.008844953173779924,11.862209503988892,0.6829402243033817,-6.379118973291735,4.464880332986475,-12.946409989594173,-0.9279396462018796,-1.1467221644120766,0.005240594834232391,-0.0027137675745998436,1.8942953990687148E-4,9.452168232153612E-5,-4.1330777863713976E-4,4.359454688749719E-4,-2.542025810167426E-4,3.0087606189760808E-5,1.6397716979738127E-6,30.03834012486988,-0.34074068965037907,-3.746078873913062,-0.5420861653891916,0.7519674730990136,0.03603112664949158,-3.2598645690026933,0.06867944024357789,0.06405502105941659,48.94788203574627,-2.5464566649232845,-9.050490868116752,-2.4604434316228065,3.5182836196360197,-0.7288016826671125,-3.133135253594525,0.05256218617717894,0.05504666489950942,0.036987221644120744,9.6245154466808E-4,0.007150746644561528,2.529105352656119E-4,-0.0030984402821135925,-2.546419339757915E-4,-0.004359904206065617,-2.5277767757344617E-4,-3.4675467023431787E-4,0.2176740016927986,-0.017082555877579154,-0.04186926230359835,-0.015626164682576167,0.02054984827674379,-0.006118653026383495,-0.0068043467649571455,-2.0659847200107508E-4,-2.243047238529235E-4,1.1956088210237035,-0.10240480359983412,-0.22607448717746,-0.09291912020450285,0.11859630077320084,-0.03844280576462997,-0.025998829552571392,-0.0020365194414958764,-0.0022294343372458777,0.6952248814891917,1.4499923235704792E-4,0.10052719918634653,0.004164269660386474,-0.039377277612911946,0.032354205311496194,-0.09381456514198676,-0.006873627008902812,-0.009100969558826005,-0.5178357916305771,0.03614657226876,0.01803644153219127,-0.07886657749943732,0.08318625703084456,-0.0485064365892687,0.0057412578421868875,3.128980105965387E-4,-0.011343525915011095,-0.12470991600536348,-0.01804647537566092,0.02503358940517593,0.0011995045831330756,-0.10852345886794616,0.0022863926554555383,0.0021324420987690663,-0.05202383758021698,-0.18490056140748332,-0.05026659641424246,0.07187815842709279,-0.014889340505782746,-0.06400961846125273,0.001073839847427784,0.001124597482263058,0.02602119061357141,0.19333019152840764,0.006837781374849846,-0.0837705603282614,-0.0068845921011822684,-0.11787595856794073,-0.00683418938588014,-0.009374985598287991,-0.07847770401946125,-0.1923484751416849,-0.07178700515934483,0.09440653507967207,-0.028109250433217544,-0.03125934522286249,-9.491187298180225E-4,-0.001030461709292609,-0.08565075951192225,-0.18908733626094415,-0.07771699118524711,0.09919322999947122,-0.03215333066187526,-0.021745264082537206,-0.0017033325663758227,-0.0018646854205516758,2.085645036847004E-4,0.14459666485326933,0.005989816779092383,-0.05663962648828776,0.046537755153688624,-0.13494132278613685,-0.009886911691335478,-0.013090684469364023,1.6170465364185695,0.989577446951459,0.9889537641300346,1.3253497761860105,1.0811017855013825,1.0773976366235936,0.7506038271107122,0.7891127810840262,1.3129330317120114,1.2451723484086603,1.0026858736360038,0.9628183068220949,1.002935321741942,1.1325078627939698,0.9353556511624144,0.9392242831761468,1.5006815185989322,1.3652210873976058,1.0432452526505034,0.8506584694453352,1.0241489488107516,1.0495175896048148,0.9685271867423189,0.9658799814099978,0.7461234186118205,0.7201466018591194,0.9320489969241899,1.4232483988384328,0.9984782711036608,1.3830541410483956,0.737754226433838,0.7804374240192544,1.5752041697496122,1.3932590934483078,1.0655938266715588,0.8208330464073406,1.0397565009009269,1.0165764177193772,0.9699387265544949,0.9670142544733544,1.587485608000071,1.3925261162888989,1.0709828058856736,0.8199287857207586,1.0442905551943609,1.0111476660289533,0.9669625413591731,0.9646226770842556,0.621881756194909,0.5053751828664997,0.8118610135357107,1.2097734358478405,1.1451366242705985,1.821109064418392,0.72418971857272,0.7703017470084635,306.36392140423465,153.43196070211727,245.20274449335372,306.81846685877997,13.94629394812636,153.43196070211727,0.4999999999998863,0.16207774012308734,0.007367170005594879,-4.003294199412277,237.18575770625426,10.78117080482974,12.031455968232777,306.38897272782435,153.44375194301085,245.21821486792874,306.84218287164015,13.94737194871092,153.44375194301085,0.49853115819735194,0.16193654870609914,0.007360752213913597,-4.005211529281631,237.3950460886771,10.790683913121686,12.033396352114705,328.7453505042705,163.97368077407714,259.37550769120355,328.0199059987103,14.909995727214103,163.97368077407714,-0.7979889561161997,0.036856933717137386,0.0016753151689607902,-7.261565338440965,208.22769267988957,9.464895121813163,11.744990746116512,306.41526496756484,153.4561272840013,245.2344524944208,306.8670736952356,13.948503349783433,153.4561272840013,0.4969896004377574,0.1617883653285636,0.0073540166058438,-4.00722560629093,237.61591199378782,10.8007232724449,12.035442220817282,352.75460732590483,175.2950093986132,275.3836024903544,350.78679957256077,15.944854526025487,175.2950093986132,-2.1645885286784505,0.09390686481382604,0.004268493855173911,-5.203993933009698,224.15572388036185,10.188896540016447,11.907150213668125,308.98950285873957,154.66788561524783,246.82886964564813,309.30429228760875,14.059286013073125,154.66788561524783,0.34626837175608216,0.1472898091838835,0.0066949913265401595,-4.213776912388055,267.88427187609244,12.176557812549657,12.299221144960862,322.133492412585,161.16931060008227,259.98186247017577,322.9234924125848,14.678340564208398,161.16931060008227,1.0862499999997226,0.2319247182556683,0.010542032647984922,-3.2149533905532577,190.6427883181502,8.665581287188646,11.550883209305828,0,11.889999999999999,15.995924706363356,-0.3154278422516327,0.2615342883462266,4.350452656673867,7.6314727568442775,21.0,61.0,60.0,60.0,20.0,1.0,1.0,0.0,0.0,1.0,46.602279999999986,3.5919231232477196,3.529052375057095,3.4376503217764376,3.341666689849096,3.2238111394888693,3.0416231303064007,2.820838927510765,2.586332738727185,1.952210412504253,1.8930794238322386,1.8327715371144082,1.7891285748354309,1.664817316698443,1.5160986028735857,1.357476825824146,1.2496297225843578,3.579342429060285,3.5187653887960595,3.4445854799961726,3.3649535157773403,3.2232390384986704,3.036717901554956,2.822608101101324,2.5999446117016287,1.8958343559962771,1.842720366049475,1.7900161787701818,1.7253542066672478,1.6057632292534056,1.4598150440523239,1.3039308221461057,1.1613066611061766,3.7081391202209923,3.6634806681225456,3.590662198213237,3.504616132341254,3.384237801865314,3.221847809052899,3.03336704825926,2.8399224587366616,1.7215049763422998,1.657078699524685,1.5892668110561645,1.5268810047999033,1.3875982423532263,1.2144315626405162,1.024562193551039,0.8409317896716619,3.597340021364513,3.5303346296229465,3.4557153596522086,3.386056346666459,3.2384475539173145,3.0497150898459706,2.8371335044015207,2.6202887360966316,1.862432676822388,1.8187515003867978,1.7609975256722643,1.684942762535842,1.5712375543667556,1.4279979459351066,1.2695315322677518,1.1150718856841417,3.7595014039821253,3.7079869035640316,3.6455878035355442,3.5687959318964264,3.443864644346323,3.284767131629871,3.1072258937039794,2.9313579037414144,1.6683503765506098,1.606830125547597,1.5384858583531407,1.4662284948229063,1.3277960596595975,1.151607767814008,0.954629433908017,0.7572614816809737,5.121185638633349,3.6045196485482984,3.5944494562271716,3.5212817473977376,3.396770606321376,3.2310313492035605,3.0857109587929634,2.985011132851328,1.8259172579857175,1.7500221647411087,1.635423591955854,1.607980620436119,1.4685471113601487,1.285857455729633,1.0904234327798517,0.900614541239867,0,0,1,0,0,4,14,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696923425058676,0.0,0.0,0.0,0.46717385556274205,0.0,0.0,0.0,0.696923425058676,0.5731929314592374,0.8076775358252054,0.24999999999999997,0.1663151596484467,0.19973579050599735,16.46840903736402,10.663902460147016,8.107684656543617,5.037293031334987,3.272754930288278,2.4046694075041226,1.3762674365141687,0.9106680370853949,0.7485640471529099,0.5078048790546198,0.3685311207519826,0.25186465156674936,0.17225025948885672,0.1265615477633749,0.08601671478213554,0.06071120247235966,15.50044856791557,9.820532425681613,7.069500239128859,4.062108535503353,2.6188862265500132,1.770817330477306,1.1156560725423754,0.7263879743666642,0.7045658439961623,0.46764440122293394,0.32134091996040265,0.20310542677516766,0.1378361171868428,0.09320091213038453,0.06972850453389846,0.04842586495777761,32.266154284551135,60.41806263656237,57.20784313725481,58.000000000000064,36.931568862275505,476.87414371257495,0.5204218432992118,0.9744848812348769,0.9227071473750776,0.935483870967743,0.5956704655205727,7.691518446977016,6.666900000000008,96.10900000000008,158.38916397126832,251.48878939490234,316.77832794253675,14.399014906478941,158.38916397126832,0.10453874568925825,0.004751761167693557,-4.968034509130586,334.8940027703704,15.222454671380472,12.790390958655836,610,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,15.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.598192202170225,-0.016876850907316943,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.453235134073829,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.408306273654976,0.0,18.570012846174425,0.0,0.0,0.0,0.44036552890769376,0.0,0.0,-0.016876850907316943,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.42662363867638,5.171568563493844,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.171568563493844,-0.016876850907316943,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2087620296280277,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.067942733067623,0.0,0.5667438271604939,0.0,0.0,0.0,0.44036552890769376,0.0,0.0,-0.016876850907316943,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.42662363867638,5.171568563493844,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.42662363867638,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.27242080751973,0.0,1.4312983851084813,0.0,0.0,0.0,0.44036552890769376,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.42662363867638,5.171568563493844,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,42.00000000000001,1.9090909090909094,0.5559027777777779,11.42662363867638,0.016359925609222836,-0.016876850907316943,11.908669487838722,1.6835435175739837,4.42662363867638,13.0129969516504,1.6835435175739837,4.42662363867638,13.0129969516504,10.66666,0.48485,0.0,0.01515,0.46667,0.7697,0.42941,0.46667,0.7697,0.03726,0.0,-0.03726,0.0,0.62992,0.08437,0.0,0.17187,0.09375,0.0,12.75,0.57955,11.25,0.51136,1.5,0.06818,-9.75,-0.44318,0.0,0.0,28.56655,1.29848,32.77136,4.20481,0.19113,9.61601,0.43709,10.66389,1.04788,0.04763,0.25011,0.01137,0.25011,0.01137,0.0,21.02,2,2,2,2,0,0,0.95,1.0942658959797504,1.6681039292015176,2.8123494476504325,3.391269163137008,3.7189634481079703,3.95300487745182,67.84448555074452,103.4224436104941,174.3656657543268,210.2586881144945,230.57573378269416,245.08630240201285,0.18378062108413254,0.2801560180828388,0.47233065573340144,0.56955951506353,0.624595370095604,0.6639023423792644,4.859930414407126,4.286092381185358,3.1418468627364433,2.5629271472498676,2.2352328622789055,2.0011914329350557,0.18378062108413254,0.2801560180828388,0.47233065573340144,0.56955951506353,0.624595370095604,0.6639023423792644,9.285756372440845,16.30068098465044,19.724448040003267,21.641926399227586,23.057742504351022,23.789456634563738,82.05817974081342,60.82330334635273,54.74349133609771,46.86457475107091,41.23097448961961,37.559860517280406,22.0,17.355371900826448,19.0,22,3,16,3.44,3.000999999999999,0.3344071250727547,5.348211634125376,1.4867477590984401,0.0,24.20292801121198,4.398548661510908,0.0,0.33333333333333337,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.442,0.426,0.519,0.065,10.116,22.0,20.0,19.0,19.0,16.0,15.0,14.0,13.0,12.0,193.0,3.1354942159291497,3.2188758248682006,3.1354942159291497,3.091042453358316,3.1354942159291497,2.8903717578961645,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,5.342334251964811,1.077720207253886,0.47368421052631576,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.0,0.8095238095238095,20.0,0.9523809523809523,2,10.0,19.0,0.9,2.5,0.8888888888888893,0.375,0.40000000000000013,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407406,0.060000000000000026,0.049586776859504134,0.11904761904761904,0.04040404040404042,0.01875,0.021052631578947375,0.008771929824561406,0.007653061224489795,0.00625,0.00529100529100529,0.0046153846153846175,0.004132231404958678,0.26247565516485394,158.38916397126832,251.48878939490234,316.77832794253675,14.399014906478941,158.38916397126832,0.10453874568925825,0.004751761167693557,-4.968034509130586,334.8940027703704,15.222454671380472,12.790390958655836,26.3,369.4201459184577,5.459431618637297,4.465908118654584,5.14166355650266,5.855071922202427,6.546785410760524,7.261927092702751,7.9617188159813645,8.677439540558334,9.38235903577424,10.098601931128835,108.39147542426574,3.7612001156935624,0.0,4.875197323201151,0.0,6.111467339502679,0.0,7.404279118037268,0.0,8.731174900938061,9.045347797304004,312.3028305200011,5.037142427741953,42.48274027697984,1.931033648953629,5.4230721622578235,5.4230721622578235,0.0,1677.0,20.0,8.968999999999998,86.0,1.2437377049180325,2.145321557823107,2.8774165848247146,3.602244061560101,4.933896475327151,5.903001829233072,7.118564135552965,8.242796152737807,9.501946381807365,10.657900956494839,86.07390002839345,87.3445128030494,85.61083092510601,107.37345891477356,156.08681087032696,167.41751406574969,185.20804923366452,213.33366329731777,241.6432579373059,270.2972311559429,293.5674318515158,343.6313013796753,358.89743651311187,453.8803489429613,647.4123457360918,750.2935297928068,844.7581399924593,974.0268779345453,1103.947711748828,1231.9198982322941,9.231162115934433,15.658842005320096,20.656299752908577,26.112375753603896,35.54172767923617,42.759658252446044,50.69798687293684,58.76604066800347,67.78080019569815,76.1305969431836,2.152107655757377,2.7568407394184953,3.011402595536229,3.773064100017525,5.368742689156545,6.318623930661512,7.278823155939537,8.397738610473356,9.538826458969817,10.642479988008999,178.63246953486436,332.11084140566743,469.67793313481354,590.5027925382934,799.3569768354528,958.3528903927192,1167.0091701052766,1351.5963124535674,1563.0536741235258,1754.5914256472659,2.703602459016393,4.266249465288565,5.052279355609219,6.457017549659839,9.256740300570952,11.119566724158965,11.645065513736137,13.607701066313703,15.814684150199414,17.961769317512783,0.4588908196721308,0.601892382200781,0.6685896347121519,0.8412883342490086,1.187235000301493,1.39971512638984,1.5973384397025783,1.8470060081787694,2.1048919036538556,2.3555205070878324,813.5603489670078,1200.1526244979768,23.11301917092408,228.65781877980424,-337.3127533427684,-20.924807762522228,584.9025301872036,1537.4653778407453,44.03782693344631,0.7806046508725296,1.1515368486548316,0.022176757118802178,0.21939534912747027,-0.32364889020502313,-0.020077185765970573,847.907376251852,1250.8208693208094,24.08880849141744,238.31133292967021,-351.5534797465325,-21.808214806710193,0.1772375761955755,0.21376605779782434,0.8026391173361309,1.0592797452109237,1003.2586145699448,38.95955317686739,0.9626186201866979,0.0373813798133021,1455.1265586753643,38.146121148491154,11.331835354131787,1842.6080019468704,42.92561009405539,12.2596381223801,2673.1233163320126,51.7022563949777,13.878408443409098,4.359604449178553,4.359604449178553,16613.22837035343,16491.612097013916,214.2863964033204,1.0073744320824485,77.52815227283371,76.96061147052066,8.84335846543603,12.767576204444865,24.583145743103568,0.925435599479349,11.169248195011779,17.572255381334976,7.538949712083263,79.02851070725025,28.28525125095828,4.53149445535381,15.734137891419657,12.324251124042355,58.53551899653212,5.177295709391262,7.134680849667386,52.518788172953684,8.691873074119195,56.187730434028346,4.050291648344465,10.840252535103716,29.469551324989485,8.069209271424,47.36537825313081,5.6870299941455675,16.597323688889567,20.018796381428096,9.651228107002368,33.98391001788055,5.036996068184142,19.04091797156147,11.421609664146876,9.532310832455806,19.165713922708264,5.333357493313294,0.953865124459169,17.722646237466527,0.5951440605414902,18.7621634407523,0.33361699899986524,1.844558487891336,2.875287732038185,0.7369556168741153,15.906139123788572,0.31052944466580457,3.824433697501403,4.323378396779372,0.495305053888083,11.951548250378101,0.08322605673827185,4.2208692365138365,1.259841322827744,0.6490485531114497,8.701732209250167,0.12292290783859121,4.871048617387935,0.5321595931836064,0.9139239198676877,5.583459892116532,0.15503033361765606,4.795428300150726,0.2758357259839622,1.2283473568207828,2.9654851955635744,0.19691682031211835,3.031775460983807,17.441603207794664,1.699955415390064,23.029729433706525,2.210379524190247,2.0703083383591108,4.962135143474962,2.0336457290527985,20.158315762290382,0.9049832730333939,3.8821886735113824,11.895259236781813,1.320457243154281,18.38410823126813,0.4378021143820567,4.781332960245869,4.459341036975535,1.4566949409801682,14.565819434874497,0.6303013213005317,6.237995122540276,2.2654885610990902,1.870735589844219,9.820379327779992,0.6768443313563693,6.540611672336429,1.3022471154430457,2.1718314462701067,5.335261704308738,0.8008447403300759,10.547974287913997,17.722756500057034,7.562620928099009,74.42241803649154,25.490824270649544,4.402020295690003,15.185277692756651,11.9017576808031,56.34323842289757,5.154092974131876,7.036227259488445,49.13261420689083,7.891484366300132,53.28858124871393,3.6464007932629845,10.623615518310457,27.39851292537181,7.365801781733888,44.62853190681777,5.124101274922035,16.166535146453985,18.48464674776681,8.8257769912649,31.864847738610433,4.570192740691408,18.61038401573506,10.381529833798744,8.761748747414536,17.928716852805135,4.861648596409366,4.460697465443234,17.334851654440488,2.40942818300719,27.98027832384296,4.572476581079698,2.3287378318072958,6.4794222001522375,3.072611011840076,24.203520998776412,1.3260744575398706,4.121439173747901,17.78379668508776,2.138465114689019,23.485487738291063,0.8163617874390802,5.41286958372724,7.28170093688615,2.221074189049888,19.15609873885651,1.165178082271323,7.46451798283761,4.007448678342278,2.7730692859084964,13.174313358431545,1.1760013272322825,8.023265786230164,2.356345269464694,3.0427054817993078,7.231410217714724,1.3474122239291015,13.48850778895461,17.667991092475145,9.79162154200763,106.33925724889922,41.21476248931436,5.499271779205132,19.507913082251342,16.950010640532042,74.7440950555568,7.070334252268064,8.525795863675262,66.85055787955594,12.00065609591182,70.3414467244367,5.728555097331921,13.147249818833316,40.34393625777828,10.959901084247916,59.43069291335001,8.0237044286241,20.42356902452057,28.39098988207166,13.044267074101668,43.00495882725032,6.9560338566827244,23.68497761700946,16.10656448051318,12.696718512223661,24.397315296565843,7.258439775860101,7.295275153704859,17.116242591386943,5.6618308043547465,53.41354760316952,13.276177957424967,3.588801985180087,11.500177307273919,10.432365616386752,48.47574186698909,5.433620809000291,5.974119583036407,32.11012807375573,4.164506822089163,38.73079817663943,1.7761804869805171,8.667506606152257,18.192464504532303,4.064755750730803,30.781354891763822,2.5098423650916026,12.789874302544932,11.917004163572107,4.958086874726031,21.36555294477631,2.34397854266662,14.736798714371275,5.641508787897196,5.15947451175701,12.05793422772003,2.5677900067573143,56.00492843236827,0.956905172774201,0.5653772814629903,0.9735380452002473,0.01663395735733479,0.5665631757867434,0.4801777623782921,0.46740987604926204,57.52721088660546,85.79633234860476,173.62290650971002,0.9603070678003711,1.5141508142142974,53.13123329962031,0.5437196544207098,0.14840204036025567,0.9871408667324257,0.010101927954458946,0.5099839752620926,0.15404199113286426,0.03376966580998508,53.82335499440128,36.85396834323608,94.96443505857462,0.9807113000986386,0.6977956322049419,54.27589778345419,0.6740256996271015,0.31498474437411184,0.9821041873455988,0.01219626922844048,0.5321266932927645,0.2376473925386559,0.14679912494768832,55.26490822745541,53.89173757807713,120.67984294619181,0.9731562810183981,0.9165732107791087,55.89359435578691,0.9518448099502527,0.5494394311414458,0.9738428884633386,0.016584141881990467,0.5643124964506853,0.4755762862534208,0.44515856173900653,57.394878596878605,84.43515345522879,171.06132388552976,0.9607643326950078,1.4850473444431127,54.813397194745946,0.7447472674744173,0.39259314997795436,0.9796724678531421,0.013310767636994448,0.5427145798758569,0.28975476711460035,0.22457599459141564,55.95073761219832,62.63387472313027,134.61110006997896,0.9695087017797133,1.057045341581873,56.21710019554309,0.9956766119993047,0.5961482011150365,0.972464030201635,0.017223579436050622,0.5708636372886751,0.5202460564491975,0.520235864902639,57.80892500865743,90.08134583373626,181.25910116733013,0.9586960453024526,1.6113455586405117,56.003023951373166,0.961210259376557,0.5523720724766991,0.973684429077752,0.016711873691631123,0.5665241470507765,0.48431218983022256,0.4496981137594453,57.51660628322642,85.29613328621085,172.54730449465598,0.9605266436166281,1.5005344506404443 +UMLCN0184,L,isopropyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC(C)C,Esters,,C19H38O2,NREL (2014),Other Ignition Delay Method,PubChem,,83,0,-3.6967999999999996,13.666330239999997,69.78569999999999,60.38213399999995,0,0,59,21,38,0,19,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3291.564732999997,3489.0513680000026,4183.5212530000135,3861.655374999999,3803.6900429999987,3344.556199999999,3063.230286999999,2866.4735579999992,2669.7168289999995,9660.784975541355,12467.967258045783,16687.87226261854,17607.625099023073,16816.212569050313,15855.383627536456,14729.508431999702,13722.710087044572,12715.911742089445,425.2748679999997,428.7604400000003,815.0126920000012,1116.7364680000032,1050.920268000003,996.7647200000027,957.6743800000027,894.7894800000026,831.9045800000022,71.17079838426194,93.74400377999991,135.99129756752697,151.48307299033632,144.68797153548712,137.00348951214795,130.1087075949397,121.08717873554365,112.06564987614767,9806.866114236464,8434.190851865202,17525.03526692065,25668.910137398143,24278.374978792355,22736.721177086383,22365.672186161875,20886.7170311233,19407.76187608472,147.30555555555554,123.58333333333334,221.3055555555556,267.5,262.74999999999994,257.5,215.25000000000003,203.00000000000003,190.75000000000003,55.78923276271181,60.156058068965564,37.35286833035726,24.913905645161282,25.875442469387746,24.235914492753615,22.69059471851851,22.749790142857137,22.818092555555552,163.7421182295145,214.9649527249273,148.99885948766556,113.59758128401982,114.39600387109056,114.89408425751054,109.10746986666446,108.91039751622677,108.68300634264483,7.208048610169486,7.39242137931035,7.276899035714296,7.204751406451634,7.149117469387776,7.222932753623208,7.093884296296316,7.10150380952383,7.110295555555574,1.206284718377321,1.6162759272413778,1.2142080139957765,0.9773101483247505,0.9842719152073954,0.9927789095083185,0.9637682044069606,0.9610093550439972,0.9578260673175015,166.21806973282142,145.4170836528483,156.4735291689344,165.60587185418157,165.1590134611725,164.75884910932163,165.6716458234213,165.76759548510555,165.87830663320275,2.496704331450094,2.130747126436782,1.9759424603174607,1.7258064516129032,1.7874149659863943,1.8659420289855073,1.5944444444444446,1.6111111111111114,1.6303418803418805,0.3156046449880449,-0.1716769612892787,0.07171032504363317,-0.08029690285469566,0.05090699870578005,-0.03607878425745012,0.004568942441144944,2.2945248141096404E-4,5.972699401792696E-6,1781.2457987457628,-20.60068622464319,-356.7453026190715,-137.5328518575111,151.71024219276035,-450.87370072737554,10.705595242745627,9.37958444125206,8.053573639758152,2884.6276933465706,-155.1602787266779,-1080.1934176417021,17.08110912010281,136.83881635731416,-432.65656654579993,7.584954681048117,7.408252862405931,7.2315510437632895,2.274046237288135,0.057433868428602576,0.9880466681987844,-0.45463062338408955,0.029735849468545985,-0.6069865211146281,-0.028192983625386917,-0.03875664234414722,-0.04932030106290752,12.824708416228841,-1.0427608490852756,-5.47894367434002,0.6897787538739281,0.12346359875531683,-0.9385311162759561,-0.029011133376695822,-0.029421485605820377,-0.029831837834944044,70.48104424497117,-6.253937816604505,-30.397355356947703,4.626330339103411,-0.1960980554544567,-3.5847156704784626,-0.28411780997353064,-0.2907198627368719,-0.2973219155002025,42.86064030131826,-0.37194771617351197,15.099292987328033,-5.171550320789057,5.409365124964089,-13.111893134156848,-0.7997701809824815,-1.0413674231542724,-1.2829646653260618,0.005349231270983812,-0.0029599476084358396,6.402707593181534E-4,-5.180445345464237E-4,3.463061136447622E-4,-2.614404656336965E-4,3.384401808255514E-5,1.8210514397695558E-6,5.104871283583501E-8,30.19060675840276,-0.35518424525246883,-3.1852259162417096,-0.887308721661362,1.0320424638963288,-3.2672007299085184,0.07930070550181946,0.07444114635914334,0.06883396273297566,48.89199480248425,-2.675177219425481,-9.644584086086626,0.11020070400066329,0.9308763017504365,-3.1351925112014487,0.05618484948924531,0.058795657638142304,0.061808128579173414,0.03854315656420568,9.902391108379755E-4,0.008821845251774861,-0.0029331007960263842,2.0228469026221759E-4,-0.004398453051555277,-2.088369157436068E-4,-3.0759239955672395E-4,-4.215410347257053E-4,0.21736793925811596,-0.017978635329056476,-0.048919139949464466,0.004450185508864052,8.398884269069173E-4,-0.006800950117941711,-2.148972842718209E-4,-2.3350385401444743E-4,-2.5497297294823967E-4,1.1945939702537487,-0.10782651407938802,-0.2714049585441759,0.02984729251034459,-0.001334000377241202,-0.025976200510713497,-0.002104576370174301,-0.0023073004979116815,-0.0025412129529931837,0.726451530530818,-0.006412891658163999,0.13481511595828602,-0.03336484077928424,0.03679840221064006,-0.09501371836345542,-0.005924223562833197,-0.008264820818684702,-0.01096550996005181,-0.5533407434619024,0.11969397599075894,-0.09684466950540853,0.06473941695571349,-0.04887439940236745,0.006326893784932701,3.4043236261771016E-4,9.54318672156538E-6,-0.011764726959441205,-0.10550387217226714,-0.029390224872324004,0.03418422399242065,-0.10821911450981948,0.0026266681599483982,0.0024657055406289443,0.002279979441414093,-0.05471605791976303,-0.19726305144736242,0.0022539621147767913,0.019039442049992562,-0.06412486387326022,0.0011491625513792804,0.001202562052860949,0.001264176862262795,0.025691697284534094,0.22888227218959922,-0.07609913295867161,0.005248264758109502,-0.11411761369954944,-0.005418261874730566,-0.007980467272947213,-0.010936858117043344,-0.08271061220168052,-0.225052232249278,0.020473053772569607,0.003863902053695152,-0.03128773332973382,-9.886337654268266E-4,-0.0010742331864184015,-0.0011730017491009528,-0.09026206122276353,-0.22719431480683402,0.024985303168744945,-0.0011166977319982967,-0.021744794597611927,-0.0017617503709040645,-0.00193145165249878,-0.0021272608235695296,-0.008827693780861196,0.18558033164274104,-0.04592851604965931,0.05065499990584572,-0.13079154543735202,-0.008155015598224933,-0.011376974885916475,-0.015094620217868237,1.6457447585768086,0.9213994823729724,1.270534024897891,1.0031358274999116,1.0453836881042329,0.7237053321323156,0.7613183504587235,0.8002269285462492,1.3047668034565971,1.2210219703271055,1.0294790758248464,0.9360016275697944,1.1258567902098728,0.9298624280844935,0.933708340121465,0.9381459309333549,1.5007461369012725,1.3737802224180307,0.9661353670920806,0.9617426134260807,1.0498414262616187,0.9688260331926166,0.9661780110449003,0.9631226008744584,0.7419813952473332,0.6848455422914518,1.2524059360587,0.8987577263546093,1.326115796694356,0.7073819489165631,0.7483079408148562,0.7955302391590403,1.5791546095896531,1.422623347026482,0.9459563481809521,0.9766575365350123,1.0171592209431517,0.9704947923915991,0.9675686437107194,0.9641923183097045,1.5920566994477672,1.427316999379552,0.9440426384454471,0.9803693620342191,1.0111630993110403,0.9669773002377917,0.9646374002492133,0.9619375156470069,0.6273562107298212,0.46483475140132957,0.9209433630651611,1.027958439406344,1.7413756048729885,0.6924825832027379,0.736575692713924,0.787452357534523,279.8282541454769,140.1641270727385,224.79204212663336,280.28063509785795,13.346696909421809,140.1641270727385,0.5000000000001137,0.15792462218382491,0.007520220103991663,-3.87583861261269,176.7211739341069,8.415293996862234,10.866603724188307,279.84956853380686,140.17404984600205,224.8043565968497,280.3006205340806,13.347648596860981,140.17404984600205,0.4985311581972667,0.15779815237840172,0.007514197732304844,-3.8775210164618397,176.72083501707095,8.41527785795576,10.866599696790558,298.9511230010737,149.07656702247874,236.07909325082244,298.229132993159,14.201387285388524,149.07656702247874,-0.7979889561162565,0.044512278049396836,0.002119632288066516,-6.535179454952491,200.2781741096558,9.537055909983609,11.129385268536842,279.87193896945575,140.18446428494667,224.81728182302913,280.32159622699453,13.348647439380692,140.18446428494667,0.4969896004376153,0.15766541693911723,0.0075078769971008204,-3.87928822171822,176.72052614317028,8.415263149674775,10.866596026392791,319.60968981278154,158.72255064205163,248.84050648754788,317.65125257254874,15.126250122502324,158.72255064205163,-2.16458852867828,0.07781856013918897,0.0037056457209137606,-5.362088159502598,222.0016525043261,10.571507262110767,11.345638133671288,282.06337355007884,141.20482096091771,226.08654344831356,282.3766639816682,13.446507808650864,141.20482096091771,0.3462683717566222,0.14466452664001023,0.0068887869828576295,-4.060009435587516,176.92353157487506,8.42493007499405,10.869006989869215,295.5111046910257,147.88870628853374,239.95228194048747,296.3022111837994,14.109629103990443,147.88870628853374,1.0864661654133272,0.22631204166964347,0.01077676388903064,-3.1202650850036595,184.41921231323084,8.781867253010992,10.95614413728429,0,11.89,15.995924201047144,-0.312924706809615,0.2617703824227441,4.350452739747942,7.631459257243027,20.0,58.0,57.0,57.0,19.0,1.0,1.0,0.0,0.0,1.0,44.41586599999999,3.5919842955766215,3.527776755724492,3.4285637734976544,3.2985784813570334,3.1698033707371462,3.011761461274225,2.7985958751069355,2.5548438540565446,1.952192091482228,1.8926168442900233,1.80160884093185,1.745876639417556,1.6582472387903706,1.5109921744074315,1.3490230831013388,1.2496297225843551,3.57918126918826,3.515975825154351,3.41872604133887,3.3120138671824337,3.189607472191851,3.0143676066308753,2.800410045047099,2.5653778391997104,1.8957337148693114,1.8405802641524045,1.7641109583950498,1.69521767429433,1.5901421363614956,1.445158037974606,1.282128637827529,1.134540685948351,3.70758000347715,3.6601077242469473,3.575938345584089,3.468921369792573,3.348193589287927,3.1950233136978006,3.007956567830056,2.802587802242576,1.721446388214111,1.6556660546026836,1.5580067558792423,1.4759202905584294,1.3690672990866124,1.2007914178651247,1.0066636292718476,0.8028700486026098,3.597261598583175,3.5285198147846035,3.4248597758434594,3.3262644299798496,3.211944558408264,3.0322988486087334,2.8177790100412463,2.5861382494237684,1.8620931419341444,1.8151490722023431,1.743974323828141,1.6575802095863774,1.5472882632954885,1.405894171044142,1.2428875246755406,1.071126748169731,3.75928222900579,3.704796738800038,3.6239149266418935,3.5331062633532104,3.4178597561868624,3.263304285567837,3.0824732053109773,2.889868305608782,1.668241045384316,1.6045752132798428,1.5103632278331567,1.4177426060218272,1.3022917847448179,1.1329631123050774,0.9331576339050809,0.7192450862363761,5.111739518235211,3.59825028624346,3.5855926802680447,3.5178583258250757,3.392581856857989,3.222066136384052,3.0178998879361503,2.8024664246749693,1.8280966164439905,1.7520865654853301,1.6319236660765017,1.49292618480446,1.4500110775552582,1.284341925520036,1.088558563500083,0.8911398694538422,0,0,1,0,0,3,15,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696923425058676,0.0,0.0,0.0,0.2946278254943948,0.0,0.0,0.0,0.6064930722941141,0.9978909578906803,0.7056154632092396,0.1935384877364132,0.2530062812754532,0.178902457172664,15.76130225617747,10.163902460147016,7.766036647749506,4.674250263505164,3.433155217115236,1.969274001554824,1.3040986528654654,0.8596370007774119,0.7505382026751176,0.5081951230073508,0.3698112689404527,0.24601317176342968,0.18069237984817033,0.1230796250971765,0.08693991019103103,0.06140264291267228,14.793341786729021,9.359311261018453,6.531255075225848,3.85160234728316,2.6089217968942595,1.6517449124253456,1.0795716807180238,0.7008724562126729,0.7044448469870963,0.46796556305092263,0.31101214643932606,0.20271591301490316,0.1373116735207505,0.1032340570265841,0.07197144538120158,0.050062318300905205,30.724326480765264,57.53022578295712,54.482352941176394,55.24000000000005,35.13301437125754,453.84588862275456,0.5207512962841571,0.9750885725924935,0.9234297108673966,0.9362711864406789,0.5954748198518227,7.69230319699584,6.419300000000008,91.54000000000008,144.52573814598105,230.03595403647523,289.0514762919621,13.76435601390296,144.52573814598105,0.10355575864254274,0.0049312266020258445,-4.762054669037934,179.9726967401912,8.57012841619958,10.904890824677212,552,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,14.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.450923683651705,-0.0341916657221315,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.215526800740495,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.080037205109668,0.0,17.97594136549091,0.0,0.0,0.0,0.027289411469849645,0.0,0.0,-0.0341916657221315,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.332595860898602,5.118327822753104,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.118327822753104,-0.0341916657221315,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2087620296280277,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.904474358183043,0.0,0.5931944444444444,0.0,0.0,0.0,0.027289411469849645,0.0,0.0,-0.0341916657221315,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.332595860898602,5.118327822753104,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.332595860898602,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2710884887435823,0.0,1.4308697900593506,0.0,0.0,0.0,0.027289411469849645,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.332595860898602,5.118327822753104,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,40.50000000000001,1.9285714285714288,0.5559027777777779,11.332595860898602,0.030248814498111676,-0.0341916657221315,11.307398835515503,1.7008583323887982,4.332595860898602,12.444024344790575,1.7008583323887982,4.332595860898602,12.444024344790575,10.16666,0.48413,0.0,0.01587,0.46836,0.77302,0.42923,0.46836,0.77302,0.03913,0.0,-0.03913,0.0,0.62628,0.08801,0.0,0.18033,0.09836,0.0,12.25,0.58333,10.75,0.5119,1.5,0.07143,-9.25,-0.44048,0.0,0.0,26.85731,1.27892,30.86873,4.01141,0.19102,9.11904,0.43424,10.16389,1.04485,0.04975,0.25011,0.01191,0.25011,0.01191,0.0,20.02,2,2,2,2,0,0,0.9473684210526315,1.1007469770519367,1.6066795010761818,2.6149395664862567,3.22329587767554,3.567652583916213,3.7396193744707613,64.94407164606426,94.79409056349473,154.28143442268913,190.17445678285685,210.49150245105656,220.63754309377492,0.18711775775199338,0.2731220452429928,0.44451780339960106,0.5479332760170121,0.6064710290901022,0.6357039417641431,4.781896072309905,4.2759635482856595,3.267703482875585,2.6593471716863015,2.3149904654456286,2.1430236748910803,0.18711775775199338,0.2731220452429928,0.44451780339960106,0.5479332760170121,0.6064710290901022,0.6357039417641431,9.376575989485314,15.583187112352528,18.985357223082556,21.00033448192845,22.48814123646494,22.369360564498592,78.19606207194039,60.36216991574069,54.68890168628874,46.938128695360824,41.377053255588464,40.43871643242301,21.0,16.3718820861678,17.950138504155124,21,3,16,3.3299999999999996,2.8601000000000005,0.3466806371753174,5.092255362219231,1.6520409266816438,0.0,23.267138275621512,3.903406840244315,0.0,0.4999999999999999,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.442,0.426,0.519,0.065,9.616999999999999,21.0,19.0,19.0,16.0,15.0,14.0,13.0,12.0,11.0,181.0,3.091042453358316,3.1780538303479458,3.091042453358316,3.1354942159291497,2.8903717578961645,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,2.5649493574615367,5.278114659230517,1.0773480662983426,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.0,0.8,19.0,0.95,2,9.0,18.0,1.0,2.5,0.666666666666667,0.625,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407406,0.060000000000000026,0.049586776859504134,0.125,0.03174603174603176,0.03289473684210526,0.012631578947368426,0.01041666666666667,0.008163265306122448,0.006696428571428571,0.0056980056980056966,0.005000000000000002,0.004507888805409466,0.26929173927453004,144.52573814598105,230.03595403647523,289.0514762919621,13.76435601390296,144.52573814598105,0.10355575864254274,0.0049312266020258445,-4.762054669037934,179.9726967401912,8.57012841619958,10.904890824677212,26.3,352.12416129259066,5.392317422778761,4.418840607796598,5.093750200806762,5.814130531825066,6.499787040655854,7.226209010100671,7.916807490937603,8.646641258603124,9.340227632810604,10.072597215357852,106.02899098889412,3.713572066704308,0.0,4.8283137373023015,0.0,6.066108090103747,0.0,7.365812837209472,0.0,8.703008637464448,9.013838751608395,298.28718045600107,5.055714922983069,40.48410754588827,1.9278146450422986,5.348715515675537,5.348715515675537,0.0,1462.0,19.0,8.774,82.0,1.2434310344827584,2.1445977947477064,2.8723628178540364,3.612948860523313,4.8833717629394995,5.8661232353153405,7.133346504546061,8.257418477189194,9.515298085761856,10.671822399800657,86.27315978553449,88.73341215692507,84.00400920571823,115.32465583815745,138.25389551890254,157.94975692775068,185.8796798695474,214.15394566063458,242.62693488828575,271.5245346464107,293.22747230237,341.1066445109582,357.4592936721169,480.6410822323035,615.9264454379035,714.297902762692,844.5726057960527,973.2318046867765,1102.4109257510897,1229.3676472730572,9.237462661586214,15.681944294848998,20.749369053397714,25.991528967804495,35.28770431421593,41.830714165260396,50.85672944066978,58.941466435672226,67.97378917207553,76.35874789516075,2.14745383908862,2.728008250757521,2.9847149579859202,3.986915279529428,5.1903713784120695,6.1198360022797385,7.270745687601506,8.381821795411984,9.512971437663046,10.603595361415698,178.6658973464266,332.26478080548674,471.9531812223446,583.0940536801335,794.9575262232062,957.2899369435986,1170.1941396121247,1355.0226591497399,1566.5556814909896,1758.66017810668,2.7192571839080455,4.394571961033299,5.05313834576117,6.64506843654422,9.041209901540933,9.659388528794675,11.786144217868445,13.787717100608734,16.05004636822271,18.266540483373205,0.45864504310344795,0.6001366418480492,0.6633649882272783,0.8782660447185402,1.1481217475405971,1.3410263241946905,1.5988940642886496,1.847964855157168,2.1051741329593074,2.3548924239535034,766.644655126308,1077.4906079642215,21.41614869528368,235.93411552090726,-331.59664242391415,-19.87457708487339,530.7105396054008,1409.0872503881355,41.290725780157075,0.7646727395109313,1.074719153756514,0.0213610634119636,0.2353272604890684,-0.33074373020072195,-0.019823456936000492,768.6216558597923,1080.2692091166898,21.471376030915483,236.54253549268932,-332.45175411211216,-19.925829060885683,0.18619819841002072,0.2225907498997216,0.49187730850943057,1.9017395518897118,969.2368678275878,33.341902819627585,0.9667438571454053,0.03325614285459455,1393.0449895292143,37.323517914703785,11.168333675268697,1761.152360637145,41.96608583889073,12.076255968043824,2566.646990418871,50.66208632122123,13.691637126051639,4.584713117317274,4.584713117317274,14564.786007826704,14462.873744092101,194.87186529178325,1.007046473995269,74.74032224209857,74.2173516040231,8.524859790349023,11.837186512466078,23.32067988410459,0.9701201682971641,10.611447088139695,16.623730087784825,6.916626001160006,72.18964527807226,29.16063199496276,3.676786262762918,13.847540855175263,9.982854033064585,55.48703406803597,4.090502564419669,4.830783807485989,49.81055029308393,4.728557437431271,58.32420127768441,3.8780821673820043,7.487756549170508,29.89088842299005,3.489748296444361,49.14794256123286,4.292174493841994,8.219124191918604,20.753788293097227,5.220990542986308,34.032024765856505,4.8149768442348755,10.094937437724107,12.887438437156753,5.313161914462086,18.487134320979486,5.283964818092601,0.9070527428305295,16.774170978864955,0.47507987078093744,16.961513682858907,0.44696153466417954,1.7636829415785409,2.6551274680234287,0.5952844452496795,14.898014654821283,0.12099923556496024,2.7668302819513615,4.289821769677155,0.32315478797476016,12.12152456729527,0.08634520850342452,2.903328618042314,1.3791190728162928,0.39807769032227736,8.774478900427432,0.11457669757664155,3.2241317504409586,0.572505136461146,0.5790512542440501,5.585015227285886,0.16211169765475616,3.609433627793085,0.29258059157675015,0.7606172805912503,2.935698078824963,0.21484697321915291,2.8806593866399277,16.493124527014018,1.5124717128097696,20.49706938449043,2.453534760945912,1.862120463565991,4.624411454532769,1.6024440440553076,19.454715212606438,0.5370723770129403,2.62310673234174,11.617107612577275,0.7323165623386778,18.86267506246502,0.4362927558280228,2.9940633535063537,4.789005578092516,0.7052995143486326,14.842588421448543,0.5317237663193434,3.5848256073784097,2.4097881935252983,1.0683514235662026,9.825684990918438,0.6827602650319677,4.1925320036407365,1.426327218033793,1.2860554621510647,5.220949694530642,0.8441795821441834,10.021455544646463,16.77423667204864,6.62267643619082,67.62485667339816,26.752321595753344,3.5975617745499067,13.455060025571488,9.62954423521143,53.16645600953945,3.7080420715986135,4.8272370479344024,46.69473116283938,4.286862739665751,55.27183056190071,3.4959481111362902,7.376470382698001,27.85397392735216,3.186860398415894,46.255130478024036,3.8823277420157503,8.33051617512028,19.163727059978655,4.776596522868113,31.908076775930976,4.3783302651954505,10.288716220015072,11.691978058393184,4.895263269163092,17.306803943293662,4.830226186918554,4.2379801759486915,16.386368608046617,2.256714770475934,25.007882536846953,4.7946633102448555,2.0234474753555256,6.001064084469639,2.4261465051443265,23.468694772958756,0.9397358589919399,2.70836453197765,17.24825691425407,1.1585018571826453,24.20345036727079,0.8024231115721273,3.319283752986677,7.711628387335074,1.0123989414321408,19.615972553543045,0.9474177517129256,4.011396276790755,4.234344432546615,1.5403557317714063,13.183901819819274,1.1675779769598689,4.752182268845855,2.6100634465196215,1.7667151593822594,7.044849794731515,1.396563118688419,12.814882169998294,16.7194428346955,8.90247727198297,97.46721591752735,42.449724296570416,4.428070154309003,16.856448970675544,13.805988398885761,70.65950837761947,5.66491701411484,5.848808647720105,63.0202669415064,6.565511400719385,73.08250863504415,5.463273847504523,9.426518615985035,40.57918665376629,4.743609329546781,61.84896627592643,5.984618348938825,9.89020458448489,29.348195903904863,7.055153285648873,43.07347418016021,6.604041802511013,12.257983623768899,18.22339475461716,7.032153505679472,23.489681166142315,7.126787010959947,6.923234018342138,16.18030637598692,4.330478489107795,47.195596323732815,14.863069347201124,3.0531325333589576,10.590139742169008,8.452134371383716,41.70126627692857,1.881240144749373,4.289589785617712,30.85505931155497,2.2624918366116242,39.81865952926702,1.7095364711155752,6.109233076421073,18.633340532977233,1.8214126272269646,31.54023661685652,1.9416721546914326,7.543653889646612,12.276593231328183,2.757536439261147,21.28929508147898,2.2657714273419343,9.323888200169883,6.219023879620701,3.015184335041433,11.66166925020171,2.582837780999809,50.14560458863895,0.9417383831735762,0.5686703826594499,0.9707602529163767,0.018230953610593483,0.5630803446946645,0.5135981664019297,0.4858958831086677,51.65601335447198,76.2758994654015,154.7868260520989,0.956140379374565,1.562574394205262,48.9479349831301,0.4983168101823352,0.15703796149298802,0.9867880784739315,0.010046043571818937,0.5365580847227481,0.15124323997122943,0.03821193726347931,49.603289754805424,32.156517410896505,85.590210982102,0.9801821177108974,0.7260132619574569,48.922700208318616,0.6503433042952333,0.32035683505448537,0.9805445182612197,0.013034655881609517,0.5359609075719904,0.24721510130342425,0.1555971957959285,49.89340034766833,47.69761383224229,107.78366360317223,0.9708167773918295,0.9387732046713433,50.249855929453226,0.9314473982218368,0.5534702401365534,0.9712974942006458,0.01800428095043148,0.56542504824176,0.506400476748515,0.4644174069154228,51.734773567811615,75.13242580978144,152.7724279673449,0.9569462413009687,1.5362429319056976,49.06005533804425,0.7295326289205839,0.3964607649592143,0.9775636173332862,0.01453656239839655,0.5389694741916148,0.3067645960377302,0.23475957720861124,50.186048731924046,55.53052927813972,119.90627002149616,0.9663454259999293,1.0804936474379563,50.35260231286541,0.9801412358497508,0.599375422929866,0.969584975732609,0.01887350747973347,0.5677381100726576,0.5570632238802014,0.5406389062431574,51.932118971645025,80.12024673384441,161.63313828005184,0.9543774635989135,1.6654402401960162,50.322270941145604,0.9378456959393555,0.5570091788003877,0.9711513355632421,0.018099145430637613,0.567055826969091,0.5144439259528573,0.47098648216551325,51.81712581588535,75.74688068528229,153.85179023340442,0.956727003344863,1.5524862350874615 +UMLCN0185,L,ethyl hexanoate,CCCCCC(=O)OCC,Esters,,C8H16O2,NREL (2014),IQT,PubChem,,27.8,0,-0.5162999999999981,0.266565689999998,35.4649,26.352687999999976,0,0,26,10,16,0,8,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1682.3059939999982,1635.7901009999994,1887.7813729999982,1640.9075479999972,1482.462882999998,1137.9475889999983,898.906268,504.4146259999999,275.4956410000003,4318.256678818236,5285.07577865174,6501.791034822079,6296.400773993519,5594.769413679941,4721.063407739217,3654.7266374932806,2682.582578895432,1881.7205097638184,194.52298400000006,189.22686000000004,344.824556,416.3452879999997,339.26659599999994,316.9281,265.9404800000002,203.15136800000016,145.901476,30.71141447758398,38.56812896000001,51.291065365339044,51.306858888376055,44.65060616388604,38.830045529886036,30.871890141583982,23.25443575448999,18.370472148489995,4343.939852712984,3670.756885191401,7358.856922266141,9431.398662269326,7423.366056953588,7022.167553718937,6097.165480737385,4591.97382201549,3507.1963534614906,99.27777777777777,65.0,116.08333333333333,122.25,118.33333333333331,106.66666666666666,82.75,62.0,31.0,64.70407669230762,65.43160403999997,41.03872549999996,29.301920499999948,32.94361962222218,27.093990214285675,24.969618555555556,18.68202318518518,13.118840047619063,166.0867953391629,211.4030311460696,141.34328336569737,112.43572810702712,124.32820919288757,112.4062716128385,101.52018437481335,99.35491032946045,89.60573856018183,7.481653230769234,7.569074400000002,7.496186,7.43473728571428,7.539257688888887,7.545907142857142,7.387235555555561,7.5241247407407466,6.947689333333334,1.1812082491378453,1.5427251584000004,1.1150231601160663,0.916193908721001,0.9922356925308009,0.9245248935687151,0.8575525039328884,0.8612753983144441,0.8747843880233331,167.07460971973018,146.83027540765605,159.97515048404654,168.4178332548094,164.96369015452416,167.1944655647366,169.3657077982607,170.07310451909223,167.00935016483288,3.818376068376068,2.6,2.523550724637681,2.1830357142857144,2.6296296296296293,2.5396825396825395,2.298611111111111,2.2962962962962963,1.4761904761904763,0.273574205898614,-0.1622541462178103,0.05762430370230968,-0.02632382030829726,0.0024747692761595353,-0.011954994368404394,0.032736479444134624,-0.040945026396708877,0.0025824087349243983,882.3953095384619,-16.007614863906092,-51.54279202958634,75.180416686391,-154.50383097041416,-252.61883925443752,6.470782485207309,-259.12255698224817,-45.61048339644944,1232.2230783781736,-150.64003299049494,-371.35711577769496,241.06981988048307,-166.90584051094368,-214.9172425223315,14.836993722695581,-114.88478268892382,-138.42019965743705,2.012233846153846,0.022008994082841786,0.8084290414201194,-0.42490059171597505,-0.4749284260355001,-0.612785751479287,-0.20596071005917146,-0.5836151479289923,0.1350597396449666,5.440849319686152,-1.0618528482268264,-2.005132992689112,1.1059990173079712,-0.657110376766497,-0.5040961547707127,-0.07134843040483245,0.3415786618669908,-0.696762739650972,30.335418731686136,-6.44520119482697,-11.10342426840456,5.842720531473387,-3.629174365220355,-2.2034695105783833,-0.7334659347740244,3.112537506240101,-3.8526903221278834,38.76068376068371,-0.38740959894805904,11.596482577251821,-5.238823142669288,-8.060157790927008,-13.74161735700196,-0.5147928994082864,-9.41173570019723,2.0714990138067044,0.010522084842254384,-0.006490165848712413,0.0012527022543980366,-4.700682197910225E-4,5.4994872803545226E-5,-2.846427230572475E-4,9.093466512259617E-4,-0.0015164824591373657,1.2297184452020945E-4,33.93828113609469,-0.6403045945562437,-1.1204954789040509,1.3425074408284108,-3.4334184660092033,-6.014734267962798,0.17974395792242526,-9.597131740083265,-2.1719277807833066,47.393195322237446,-6.025601319619798,-8.072980777775978,4.304818212151483,-3.7090186780209704,-5.117077202912655,0.4121387145193217,-4.254991951441623,-6.591438078925574,0.0773936094674556,8.803597633136714E-4,0.017574544378698247,-0.007587510566356697,-0.010553965023011114,-0.014590136939983026,-0.005721130834976985,-0.021615375849221935,0.006431416173569838,0.20926343537254433,-0.042474113929073055,-0.04358984766715461,0.019749982451928057,-0.014602452817033266,-0.012002289399302682,-0.001981900844578679,0.01265106155062929,-0.03317917807861771,1.1667468742956206,-0.2578080477930788,-0.24137878844357738,0.10433429520488191,-0.080648319227119,-0.052463559775675794,-0.020374053743722902,0.11527916689778152,-0.1834614439108516,1.4907955292570658,-0.015496383957922362,0.2520974473315613,-0.09355041326195157,-0.17911461757615574,-0.3271813656429038,-0.014299802761341289,-0.3485828037110085,0.09864281018127163,-0.6168136777085593,0.1190545669587703,-0.044674437322851805,0.005226613701373884,-0.027051931943580684,0.0864226685926562,-0.14412376272119617,0.01168702271116286,-0.018866736119857723,-0.03301568144865063,0.0395573198137192,-0.10116653970308558,-0.17722565983360583,0.0052962009832389694,-0.2827819034675961,-0.06399639899480285,-0.1271406428422967,-0.17034050400876938,0.09083198933690828,-0.0782605741774211,-0.10797071537634141,0.008696157997305182,-0.08978065147350658,-0.13907984119046712,0.011375096333811218,0.22708004575091476,-0.09803794678354268,-0.13636739642501244,-0.18851862628423152,-0.07392252247109303,-0.2792914815313183,0.08310009337753242,-0.2029695911923547,-0.2083013097321715,0.09437856363567701,-0.0697802403512923,-0.05735492862350954,-0.009470841578464822,0.06045519384744426,-0.15855220009912382,-0.22096313559761682,-0.20688188137577032,0.08942324809558183,-0.0691223786443031,-0.044965674159057584,-0.017462274116674167,0.09880392177384402,-0.15724185592664178,-0.010394707828004385,0.169102631705096,-0.06275200819026616,-0.12014700477765522,-0.21946763269806274,-0.009592061742006672,-0.233823349258851,0.06616790045676488,1.623150226889635,0.9252712794852064,1.2077951542357146,1.252212987172116,1.1504969343662395,0.9459668094297493,1.1292640928721522,0.14319223260383024,1.1246481902981427,1.0479001493265885,0.9306408424986314,1.1254974075653166,1.1946564249579217,0.9379145063044301,1.2791227661409836,0.8166759253619652,1.5035364552620796,1.2511185831847835,0.8178168400437803,1.0496663190300322,1.0277269971458325,0.874721932525027,0.9493644898415842,1.087501241559409,0.708875860887861,0.7154961909252355,1.1948643211459047,1.334523489139255,1.4677025336447473,1.112102907616046,1.6060343447873724,0.07015420545504211,1.6875178376234876,1.3210761510579965,0.79989527840572,1.0458740252930911,0.970261852107123,0.871561687744243,0.7800647729523942,1.101045147762771,1.716599977139908,1.324714486095753,0.8065857511036293,1.0538074981315124,0.967273219754679,0.8781729151095934,0.7509331235376272,1.072711316196979,0.5783351708930546,0.4973694933128811,1.0058670656796358,1.5999173098125707,1.80057883131202,1.0488446343256168,1.5646821021683224,0.08446212001890072,56.162231560533165,28.33111578026657,44.58317295124676,56.56223156053314,5.656223156053313,28.331115780268735,0.4999999999999716,0.17466158565036133,0.01746615856503613,-1.7449049735403284,49.08128706691985,4.9081287066919845,3.893477843356244,56.175861740978576,28.337196449587974,44.59140359202269,56.57468666753647,5.657468666753648,28.337196449590127,0.49853115819737326,0.17440049754850123,0.017440049754850123,-1.7464009145956092,49.11503685474851,4.911503685474851,3.894165237503188,68.38541073171224,33.79371088779809,52.46916794648248,67.7470195668194,6.774701956681941,33.7937108877981,-0.7979889561160576,0.0432243769531756,0.004322437695317561,-3.141350661555403,54.19008307709786,5.419008307709786,3.9924979226474853,56.19016728556038,28.343578442999117,44.60004341777114,56.587758965910666,5.658775896591067,28.343578443001256,0.4969896004378569,0.17412649897633103,0.017412649897633102,-1.747973238297076,49.15061269278136,4.9150612692781355,3.89488931228926,81.52709481881523,39.68125314506845,61.91487610395403,79.79542399587257,7.979542399587257,39.68125314506845,-2.1645885286783226,0.2185426958190151,0.02185426958190151,-1.5207738793293888,339.0614638492508,33.90614638492508,5.826181400235733,57.59171292631339,28.96899064903498,45.453293503554086,57.86872762371864,5.786872762371864,28.968990649036087,0.3462683717565689,0.14742135180296762,0.014742135180296762,-1.914460453523736,53.61553023654921,5.361553023654921,3.981838769328498,56.72145245584031,28.60250205968646,46.39485373598343,57.392757270469076,5.739275727046907,28.60250205968846,1.1751984126983999,0.3116739452468541,0.03116739452468541,-1.1657976849010323,40.504246598087946,4.050424659808795,3.7014068228894446,0,11.890000000000004,15.995918659282353,-0.31593582140873383,0.26147650715319776,4.154010021657673,7.132818625094211,9.0,25.0,24.0,24.0,8.0,1.0,1.0,0.0,0.0,1.0,20.365311999999996,3.5603390200361797,3.2930794096810247,3.0087768619556856,2.667207329063554,2.0869983217388746,1.8886153652609694,1.5108944155662622,1.168027776659786,1.872042728166612,1.6681359684867836,1.5576338731572505,1.1817792295064462,0.8920575903719966,0.7758507619844183,0.566533512945775,0.39076929493577656,3.5038688329291543,3.2420012207823174,3.022284936786043,2.627037221079785,2.093653780255388,1.8430695663232555,1.560966879554585,1.2774739488669231,1.8282270314850682,1.6474399459899314,1.4879427299499408,1.1484613875342335,0.8296815160886039,0.6704834416552331,0.47628008974122393,0.36025797602795706,3.660149323459015,3.445207531494463,3.215996407769568,2.8812371732293376,2.4274019298192973,2.2281272797625924,1.9806358242737658,1.7579574218065528,1.6360389403709472,1.3914531521542624,1.2322443255636248,0.8321541546162318,0.4140106365404008,0.22968051458529087,0.006744140324735718,0.17398582464677928,3.5096481735842,3.2353362664484093,3.046402374625789,2.629060967230584,2.116598692127279,1.879312381032141,1.6093636209643725,1.3580346903038483,1.810216225327084,1.634635589646903,1.443518759215545,1.1287654914916614,0.7790921464735182,0.6078448410326296,0.4158742582679526,0.2679836701994974,3.696031932527076,3.489934091376902,3.293859040819611,2.9465281128453955,2.5421259529681697,2.3520978723104435,2.134233189856338,1.9544586982639194,1.5893856758293083,1.3451565270920747,1.155932846991855,0.7666787405461339,0.30692893702385055,0.09477463227986252,0.15048940165897964,0.3624486209117999,4.959434086701914,3.461926317771108,3.411525630870172,3.025528224773335,2.617479366553453,2.3619651630063516,1.849978941423015,1.5950985442708958,1.7394045538943153,1.3998403587200823,1.3132731747285988,0.8570314491074721,0.4956911098420625,0.40177570692568115,0.15072458521833978,0.21694310692175267,0,0,1,0,0,3,4,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.49279927982674443,0.348461712529338,0.08333333333333333,0.10059223176554563,0.07112944921610614,7.819990956308912,4.8080604124904465,3.3896287658987125,2.081951230073507,1.3799361269508954,0.6371368471241509,0.4206304961780412,0.14433756729740646,0.7819990956308912,0.5342289347211607,0.3766254184331903,0.2602439037591884,0.1971337324215565,0.12742736942483018,0.1051576240445103,0.07216878364870323,6.852030486860464,3.9646903780250446,2.262127951006913,1.2897794361340933,0.7524939886609544,0.3502618925726519,0.18917750074830025,0.07216878364870323,0.6852030486860464,0.44052115311389384,0.25134755011187926,0.16122242951676166,0.1074991412372792,0.07005237851453038,0.04729437518707506,0.036084391824351615,13.764220639120705,25.76402039329934,24.501960784313734,24.879999999999995,15.348914970059875,200.53508263473057,0.5293931015046425,0.9909238612807438,0.9423831070889898,0.9569230769230768,0.5903428834638413,7.712887793643484,2.1298000000000004,40.775000000000006,31.2641207165385,48.34375653423612,62.528241433077,6.2528241433077,31.2641207165386,0.07014467877058805,0.007014467877058806,-2.6571953303273683,225.91372370114308,22.591372370114307,5.42015317285109,107,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.44515306122449,-0.059305555555555056,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.64452947845805,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.9472963907785337,0.0,4.333522770219199,0.0,0.0,0.0,0.0,0.0,0.0,-0.059305555555555056,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.695651927437641,4.749501133786849,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.749501133786849,-0.059305555555555056,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25286281179138326,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8310721371882086,0.0,0.5049189814814814,0.0,0.0,0.0,0.0,0.0,0.0,-0.059305555555555056,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.695651927437641,4.749501133786849,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.695651927437641,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.116224253590325,0.0,1.1521875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.695651927437641,4.749501133786849,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.666666666666664,2.3666666666666663,0.5559027777777779,10.695651927437641,0.21736961451247172,-0.059305555555555056,3.8023520993953133,1.7259722222222218,3.6956519274376416,10.12275462962963,1.7259722222222218,3.6956519274376416,10.12275462962963,4.66666,0.46667,0.0,0.03333,0.51282,0.85333,0.425,0.51282,0.85333,0.08782,0.0,-0.08782,0.0,0.54687,0.16742,0.0,0.28571,0.10714,0.0,6.75,0.675,5.25,0.525,1.5,0.15,-3.75,-0.375,0.0,0.0,8.3728,0.83728,11.45959,3.08679,0.30868,3.72862,0.37286,4.80805,1.07943,0.10794,0.10595,0.01059,0.10595,0.01059,0.0,9.02,2,2,2,2,0,0,0.875,1.2389012566026307,1.9790978911348052,3.3535339485774815,3.873140679513133,3.7633424882718507,3.7671834678914613,32.2114326716684,51.456545169504935,87.19188266301452,100.70165766734146,97.84690469506812,97.946770165178,0.2635713530845122,0.4210452659347133,0.7134511130170862,0.8239953944234103,0.80063626254953,0.8014534158053811,3.4615384615384617,2.7213418270062872,1.346905769563611,0.8272990386279595,0.9370972298692419,0.9332562502496313,0.2635713530845122,0.4210452659347133,0.7134511130170862,0.8239953944234103,0.80063626254953,0.8014534158053811,11.26589917459177,20.455559913593245,24.696555027664957,24.37467577728221,25.109570332296315,23.103189237822146,36.565211176569775,22.92976312449921,18.56715459078439,17.820030879042452,17.21297165343885,19.79013004044413,10.0,7.111111111111111,7.0,10,3,6,2.1199999999999997,1.310200000000001,0.12499999999999997,3.0552105372221474,0.5163977794943223,0.0,4.329638385866451,2.3052697787043193,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,4.356000000000001,9.0,8.0,7.0,5.0,4.0,2.0,1.0,0.0,0.0,55.0,2.3978952727983707,2.4849066497880004,2.3978952727983707,2.302585092994046,1.9459101490553132,1.791759469228055,1.0986122886681098,0.6931471805599453,0.0,0.0,4.174387269895637,1.1636363636363636,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.6666666666666666,8.0,0.8888888888888888,0,4.0,8.0,1.0,1.5,0.666666666666667,0.375,0.16000000000000003,0.1111111111111111,0.04081632653061225,0.03125,0.0,0.0,0.0,0.16666666666666666,0.07407407407407411,0.046875,0.02285714285714286,0.02222222222222222,0.010204081632653062,0.015625,0.0,0.0,0.0,0.3585241874527589,31.2641207165385,48.34375653423612,62.528241433077,6.2528241433077,31.2641207165386,0.07014467877058805,0.007014467877058806,-2.6571953303273683,225.91372370114308,22.591372370114307,5.42015317285109,26.3,161.86833040805567,4.321928094887363,3.6109179126442243,4.2626798770413155,4.962844630259907,5.638354669333745,6.35088571671474,7.034387929915503,7.751475318021456,8.437933510430605,9.156834104453042,76.20631366881454,2.9444389791664403,0.0,4.007333185232471,0.0,5.231108616854587,0.0,6.532334292222349,0.0,7.874358824729881,8.183955717304954,144.115029752,5.542885759692307,18.65329824543886,1.865329824543886,5.301747397418532,5.301747397418532,0.0,150.0,8.0,2.624,36.0,1.2351999999999999,2.1215824103900878,2.850713798881845,3.6613761981057964,4.880759404723754,5.809153667245901,7.086863467279553,8.147945974952432,9.286208669991487,10.270079121771381,91.62129166719998,95.93343221094922,95.41632703983787,144.7588150539586,150.4518541759044,168.4675483788897,148.22183114033348,119.9326993694575,46.21406188953613,10.435057672783516,284.10295800329686,319.4930971314934,349.60910657090943,517.7083256108201,593.1384217003522,648.445154213903,751.9400260191456,780.3069110412663,566.0494260075982,319.23251470657425,9.406569306879998,16.00720838042969,21.259063863682112,27.67428981809257,36.94008711586923,43.175298755353964,53.53015920850194,56.775425357434415,63.712730108802525,68.99915685677264,2.0225453996991996,2.472849365900987,2.775478107398939,4.019029038083393,4.770774279115734,5.324750445978939,6.395323297587731,7.473591346400499,6.3469956540972925,4.56620971135984,179.56309980875614,336.28214313599597,476.527962890967,591.2165144797492,808.4854804551406,972.0827604408811,1196.9563261495794,1348.0733447232383,1611.7489180942239,1899.1189173012249,3.300023333333333,5.608678104688886,6.342263329445321,9.700999642347261,12.54496278138582,13.833300230181374,16.515863926042133,12.415305150723714,12.602284765712666,10.270079121771381,0.45204840000000013,0.5765006633700814,0.6552400201728421,0.9473597553899339,1.1418521880078576,1.2759970003941585,1.5141448333681917,1.6163543604224249,1.4071998385783626,1.0516561020693893,413.6377967349,347.85472541951737,13.216287235256083,181.76794490372632,-152.86039879251885,-19.40609814918667,231.8698518311737,500.71512421203624,32.62238538444275,0.6947158346114036,0.584231392297596,0.02219711082879939,0.30528416538859643,-0.2567331621153487,-0.03259306518573169,246.2823191347105,207.11470077090846,7.869053303016758,108.22567804153212,-91.01395911023587,-11.554502260828462,0.31088164277936575,0.375631365051013,1.525182114906141,3.7869344010036006,550.9426090065218,44.46313263210458,0.9253229696614333,0.07467703033856683,710.1477289215644,26.648597128583795,8.921740097531272,865.1403062301667,29.413267520460334,9.528594570049483,1206.8296740107587,34.739454140944105,10.64670759832003,2.516319100753266,2.516319100753266,1384.3507244943446,1316.9682608414737,90.770326078567,1.0511648349139537,15.251137506062372,14.50879728802077,4.892822752708029,5.6454556919422,10.96738827761733,0.9426931812202801,4.475634912546361,6.190062996070933,3.832751297526837,21.146614378803253,9.369673120641105,1.7532468289854382,5.63587902438732,8.45311254602962,9.885500427519297,1.3444398282140193,4.314933597944231,3.6394915958582326,4.18233576438882,0.6760683086407527,2.881869499539036,6.806550650176805,4.71138685813363,0.40475815310965396,3.6538672286510194,0.012306063333035569,1.8607045618301354,9.57570072337443E-13,9.835021432734666E-47,1.9483006039830716E-102,7.444105586171449E-180,5.485863391365766E-279,0.0,0.0,0.0,0.0,0.39211654491545783,6.340943916997341,0.33072095289248765,5.406239159289707,0.22553814749541656,1.674962566183226,0.8001816945507609,0.5394219563290552,3.461480306027895,0.03620108299285307,2.729625703846932,1.0965561642305952,0.5802221908252725,0.010941516546616415,0.11423515752516834,1.6878583796917026,0.22057816324477744,0.2605986049122715,0.026123060749998834,0.0010246436820681869,0.013105094370008846,6.744244315462691E-15,6.92688601140828E-49,1.3722040457207346E-104,5.242944431282195E-182,3.863738441857395E-281,0.0,0.0,0.0,0.0,1.2183825688571526,6.059867195279102,0.8156432062802128,6.411097845859933,0.8732299263866757,1.5284069951860637,1.405314455487185,1.3743289133260943,3.6307353935456046,0.1673541676963138,2.5057018708297387,0.9533227548393922,0.9400642437191216,0.05481365217193521,0.3224949514055869,2.291475213126037,0.8272443707481856,0.2868442308811792,0.2691707678834464,0.0033130245104221767,0.1365651874163616,7.028022560682039E-14,7.218349289606121E-48,1.4299424131290342E-103,5.463552330536472E-181,4.0263133522151035E-280,0.0,0.0,0.0,0.0,4.229749368703212,6.340617585324471,4.09638297016001,21.02628548642689,8.899522601924069,1.8313726213289456,5.608432633980852,8.235526094145875,10.571447374168294,1.216278306102005,4.346880629912907,3.790412671336921,4.811376702697581,0.6047811774570505,2.888916196003887,6.3370998819025735,4.326793767551953,0.3948076847427377,3.2557972138859004,0.01161032957070409,1.6578542653170605,8.53177694799203E-13,8.762827031340598E-47,1.7359007618362621E-102,6.63256405700774E-180,4.8878055167323845E-279,0.0,0.0,0.0,0.0,1.7880899915085837,5.953072815486176,1.075036198376794,7.468384642349069,1.5476942278422718,1.4832959467298445,1.8654385661895359,2.041602080979367,3.864927582125112,0.29773411413736445,2.530708134214384,1.025183535953966,1.0496279324627056,0.11231583187083172,0.49462617436011874,2.8368458211529473,1.335748185726393,0.3058053602321527,0.5837192603706312,0.004888201104949222,0.29663783581379116,1.526580413275548E-13,1.5679219220697529E-47,3.106025999698715E-103,1.1867565737998333E-180,8.745690623686471E-280,0.0,0.0,0.0,0.0,5.405000361478278,6.285574082481741,5.163831639844258,28.315993128331073,13.662477070902904,1.866733874699623,7.317787626004852,11.72206996495474,12.887288184682937,1.8735464991119724,5.194510978816606,4.923928242316193,5.89357678261874,0.9815882506832896,4.1975830705214925,8.721941852891634,6.259882878831189,0.44287775266470353,5.327555796698592,0.014887835401337242,2.7136627314878905,1.3965259565626317E-12,1.434345444886008E-46,2.8414133265541294E-102,1.085652838867948E-179,8.000616186236916E-279,0.0,0.0,0.0,0.0,2.836919371590722,6.278774352242715,3.269924049483566,19.218327889411405,5.784411231859944,1.9705575736973473,4.618936225281485,7.102584789776197,13.687672508859682,0.5605117756095341,3.781850164064234,6.083067940656985,7.010534327520482,0.26073907037912636,1.8774719005471394,4.36746784540154,2.189260674064607,0.47434393948952497,1.3507682795079137,0.009047111855588874,0.6869192934556372,3.535076825293172E-13,3.6308106683256963E-47,7.192572651140838E-103,2.7481524227750387E-180,2.0252250045996996E-279,0.0,0.0,0.0,0.0,11.871779344478197,0.8127055150014582,0.4462744730769232,0.9041197880341277,0.061893261038333515,0.5686964361383631,0.5290587708906339,0.5384444906629212,13.130759332556577,15.30902234305432,32.74555406694742,0.8561796820511915,1.636199697691918,9.213731445141864,0.5692410332221511,0.08110142836617798,0.9340695875013055,0.0577085125886741,0.3431164766099286,0.2572825842053253,0.017782542367913705,9.864073906730194,6.0382470493263085,16.327684485621557,0.9011043812519582,0.6181816031831675,10.611173511687625,0.5948130772365845,0.2283784176122732,0.9280072400716369,0.052019773454543235,0.4544751428555107,0.2833744770142308,0.14100904291067082,11.434365006536481,8.870870254541115,21.746683273653012,0.8920108601074553,0.8788586627804124,11.61893406195733,0.8210625307642321,0.4251050105953527,0.903135818139338,0.06382091304685411,0.5448042021751919,0.5400713963080241,0.48857280964455996,12.865101603316914,14.828176289048475,31.74872502736099,0.8547037272090069,1.573448408127776,11.212799746845398,0.6283404331076965,0.30183686014068845,0.9233979204459402,0.05174517180037784,0.5073284489757369,0.31626615944719194,0.24630963168181494,12.142977040093784,10.619548021685498,24.88910321285188,0.8850968806689103,1.0699042401047438,11.974648756730247,0.8468610613548049,0.471148428189019,0.9008468084317701,0.06370893207851634,0.578596769662143,0.5744675130576422,0.6001396754266003,13.29265824627407,16.18169795327642,34.2522082184218,0.8512702126476551,1.7532039581463854,11.670239647194835,0.8329251232785164,0.4282941233447979,0.9024689126741735,0.06441076216672614,0.5496690234717085,0.5557594802934891,0.4959307949713631,12.93145889381815,15.075467791235033,32.1701322131857,0.8537033690112602,1.6013592987365608 +UMLCN0186,L,dibutoxymethane,CCCCOCOCCCC,Ethers,,C9H20O2,NREL (2014),Unknown,PubChem,,74,0,-1.3288999999999989,1.765975209999997,40.3403,30.779859999999967,0,0,31,11,20,0,9,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1830.6343709999978,1876.3824419999994,1962.8897609999976,1753.4544879999967,1576.841630999997,1288.2607179999977,1111.7486609999987,839.4247720000001,662.9127149999999,4866.108558291281,6046.751746209635,7406.300939851284,7086.537007501994,6073.181697290383,5118.1772024684515,4642.328259741995,4184.663675814952,3708.8147330884913,228.93735600000014,227.73127200000005,426.830388,481.3576959999997,454.7607959999997,364.7223759999999,289.31293200000016,306.7699360000001,231.3604920000002,35.27876609698,44.36164620000002,59.06554771103704,60.053345339772086,50.49516280377207,41.43674967698004,38.56360438218804,36.61899773298001,33.74585243818802,5210.404816899981,4436.590404458001,9119.49400959234,11020.168342018975,10409.130711010373,8201.53046119128,6403.024515007789,7154.106697576681,5355.600751393189,68.25,69.0,119.75,114.5,116.25,94.0,75.75,69.5,49.25,59.05272164516122,62.54608139999998,35.05160287499996,26.56749224242419,25.84986280327864,26.838764958333286,28.50637592307689,19.986304095238097,20.08826409090909,156.97124381584777,201.55839154032117,132.2553739259158,107.3717728409393,99.56035569328498,106.62869171809274,119.03405794210244,99.63484942416551,112.38832524510579,7.385076000000004,7.591042400000002,7.621971214285715,7.29329842424242,7.455095016393438,7.598382833333331,7.418280307692312,7.304046095238097,7.0109240000000055,1.1380247128058065,1.4787215400000007,1.0547419234113757,0.9098991718147286,0.8277895541601978,0.8632656182704176,0.9888103687740523,0.8718808984042861,1.0226015890360005,168.07757473870905,147.8863468152667,162.8481073141489,166.9722476063481,170.64148706574383,170.86521794148499,164.1801157694305,170.33587375182574,162.29093186039967,2.2016129032258065,2.3,2.138392857142857,1.7348484848484849,1.9057377049180328,1.9583333333333333,1.9423076923076923,1.6547619047619047,1.4924242424242424,0.3318343235580802,-0.11355283298257719,-0.04882844932876103,0.0052455242183246965,-0.005307736707199287,-0.030136966261412493,0.03207329391420515,-0.02534949552258009,0.004828756801654389,1002.1728855483864,7.762141985430773,-329.3616638616036,47.98048328407896,48.67440353381886,-110.55609749427717,-196.3328423350681,-78.46328790426642,-164.24003274505725,1434.8677731274508,-219.2564225860488,-432.2665432700734,-118.16114144443497,95.74414820123413,174.01592501769406,-296.9786818929112,172.6084333051015,-298.38617360550376,2.071709419354838,0.07238340062435193,0.17474001664932848,-0.029382376690947287,-0.4238142767950033,-0.7892347138397466,-0.2766037211238279,-0.4369028262226849,0.0757281664932332,6.304814212476771,-1.7153407265968588,-1.1569312130474865,-1.2528062361979095,0.13799068371834117,1.5089478756701515,-1.2677516028911635,1.5429817009895284,-1.2337177775717871,34.97165782012188,-10.588089440447344,-4.790631059493713,-8.11049663225533,0.022459833410258034,9.118348505203548,-6.896789776309318,9.544299021841315,-6.47083925967155,12.693548387096776,-0.3969823100936516,-0.7770551508844938,-0.15400624349635583,-0.6711758584807462,-4.719042663891778,-0.2757544224765861,-2.4880332986472427,-0.044745057232050134,0.010704333018002587,-0.003785094432752573,-8.719365951564469E-4,7.947763967158631E-5,-8.701207716720143E-5,-6.278534637794269E-4,8.223921516462859E-4,-6.035594172042879E-4,1.4632596368649662E-4,32.328157598335046,0.2587380661810258,-5.881458283242921,0.7269770194557418,0.7979410415380142,-2.3032520311307745,-5.034175444488926,-1.868173521530153,-4.976970689244159,46.2860571976597,-7.3085474195349605,-7.719045415537025,-1.7903203249156814,1.5695762000202316,3.6253317712019597,-7.614837997254133,4.109724602502417,-9.042005260772841,0.06682933610822059,0.002412780020811731,0.00312035744016658,-4.4518752562041345E-4,-0.006947775029426283,-0.016442389871661387,-0.0070924031057391776,-0.010402448243397259,0.00229479292403737,0.20338110362828293,-0.05717802421989529,-0.020659485947276544,-0.018981912669665296,0.0022621423560383797,0.03143641407646149,-0.03250645135618368,0.036737659547369725,-0.03738538719914507,1.12811799419748,-0.35293631468157816,-0.08554698320524488,-0.12288631260992924,3.6819399033209894E-4,0.18996559385840725,-0.17684076349511071,0.2272452148057456,-0.19608603817186515,0.4094693028095734,-0.013232743669788386,-0.013875984837223104,-0.002333427931762967,-0.011002882925913872,-0.09831338883107871,-0.0070706262173483615,-0.059238888063029585,-0.0013559108252136404,-0.35360394957694113,-0.08145641523764449,0.007424810078117013,-0.008128678080256304,-0.0586541415260064,0.07682796772701146,-0.05638458895002794,0.013669788060629753,0.008003489385190056,-0.18192989394316197,0.02248742500232003,0.024682539953316405,-0.0712460035535522,-0.15572107470634808,-0.057787812863989714,-0.15395157222014041,-0.15789954604092943,-0.16676826420046234,-0.03867947354578741,0.033910345686121474,0.07832448885677094,-0.16451688604055806,0.08878968854383672,-0.19535051823835234,0.036103606010758175,0.04669143256359162,-0.006661558404523062,-0.10396295151242191,-0.2460355111868129,-0.10612709206409056,-0.15565691430110837,0.03433810744911905,-0.28113734855327976,-0.10158016442390648,-0.09333174189259144,0.0111226771596877,0.1545690013262856,-0.1598302436965595,0.18063457662475213,-0.18381937422993763,-0.31285407776218466,-0.0758315917707715,-0.10893037186003585,3.263789711944313E-4,0.16839159984638388,-0.1567573289360672,0.20143745244255518,-0.17381695813774936,-0.03231681490893682,-0.03388772917044829,-0.005698663894343612,-0.026871081300643532,-0.24009953409572207,-0.017267780927247206,-0.14467235432927936,-0.003311385776442969,1.4145211869317702,1.4967735542964578,0.91367152989841,1.4133200921388085,1.7973913282595315,1.179769836484613,1.081499850867344,0.15516375128628895,1.2397744899275789,1.330332153881136,0.9321230428563146,0.9914470235168396,1.1636905604733543,1.1935284354648372,0.9982497012219627,0.9883924100524265,1.6169932358709587,1.2301634108072488,1.001818077959954,0.8324865256424104,0.7851113050605844,1.1941544813239786,0.7970402226275283,1.2837082266388882,0.9104018075022101,1.4594955673017722,0.9243407577602288,1.5130645903567874,1.9929134179858827,1.2229202420696463,1.2156379402922513,0.09366178392934406,1.8352786392328022,1.1819253424265967,1.054527906323723,0.8297944981070194,0.6823530144351143,1.2014999841587366,0.6903328497749528,1.3060464963591898,1.8811546580910903,1.173864666317044,1.0682495102238516,0.8482989521761979,0.6855977410828904,1.204535143398985,0.6699839543283594,1.2790153061325082,1.0241423125794153,1.4349246687239063,0.9131338800970312,1.3560522423813193,1.8217916137229986,1.1211025315218452,1.153566890542748,0.2864733741480882,72.51598272177833,36.507991360889164,57.18026827947152,72.92507363086922,6.629552148260839,36.507991360889164,0.4999999999999929,1.1102230246251565E-16,1.0092936587501423E-17,-40.41048062664481,2000032.0705957517,181821.09732688652,15.959541151062885,72.54750163270079,36.52301639544909,57.20691784865657,72.95539076213501,6.632308251103183,36.52301639544909,0.4985311581973946,3.3306690738754696E-16,3.027880976250427E-17,-39.20200710910989,2000032.0619917521,181821.09654470475,15.959541146330762,100.55111113505595,49.87656108946996,81.12788683643289,99.89821108005192,9.081655552731993,49.87656108946996,-0.7979889561160292,6.106226635438361E-16,5.551115123125783E-17,-38.53525772518255,2000028.3227148624,181820.75661044204,15.959539089759518,72.58058156578387,36.53878558311088,57.23488833847881,72.9872094206876,6.635200856426145,36.53878558311088,0.4969896004378853,2.7755575615628914E-16,2.5232341468753557E-17,-39.40256082158324,2000032.0529822938,181821.09572566306,15.959541141375638,130.30865289120229,64.07203218126197,106.7738460130034,128.53762591319276,11.685238719381157,64.07203218126197,-2.164588528678337,2.7755575615628914E-16,2.5232341468753557E-17,-39.40256082158324,2000027.1505368215,181820.65004880194,15.959538445070537,75.81801439950638,38.08214138563149,59.97719388296014,76.10132488548905,6.918302262317187,38.08214138563149,0.34626837175659375,5.551115123125783E-16,5.0464682937507114E-17,-38.6400989229673,2000031.2635449332,181821.02395863028,15.959540707191964,65.58166130238857,33.24270411411004,51.11315357771646,66.3127290555409,6.028429914140083,33.24270411411006,0.9497354497354848,1.6653345369377348E-16,1.5139404881252134E-17,-39.96446900772584,2000038.2930345612,181821.66300314193,15.95954457334403,0,11.890000000000002,15.99591916181647,-0.35574489160790757,0.1472036443565575,4.990905409804174,6.512596630140299,10.0,30.0,30.0,30.0,10.0,0.0,0.0,0.0,0.0,0.0,25.696139999999996,3.4655404112702244,3.357944029374172,3.081144220308881,2.770771448142816,2.471882683654904,1.9955005839300897,1.7969075138377764,1.3321348332862768,1.8289297067580195,1.811501088349845,1.4815663967108181,1.3830249861205954,1.1917240675406215,0.8904732485328493,0.8510931793205352,0.5804271227225938,3.417109911869497,3.3715712781860896,2.995669720369388,2.760031627587432,2.503618026873879,1.9897557704555744,1.8772555426643531,1.3913064344742068,1.7931352074085487,1.75168666385989,1.484358438748497,1.312775838913092,1.1178075569496027,0.785822937536147,0.7213370086215608,0.43486583452003885,3.6010990680777764,3.526519300290205,3.255456439314353,3.004040532640979,2.760806797643199,2.3448432646409967,2.2267099637192067,1.8501285426494585,1.5712844366397227,1.5405785533548184,1.172901430161484,1.0037086359658869,0.7798739309952065,0.35938570729760644,0.28989870782860544,0.08644437971103557,3.4247381042060634,3.3911469474818094,2.9803697138376233,2.781585672910467,2.533155878897328,2.0269623346153067,1.9369426661633744,1.4629111463638091,1.778021098325824,1.7139282716980357,1.4769644740464742,1.2683632345422156,1.0610803968085656,0.7186461666937464,0.634789640771096,0.3378232042300962,3.6446749856950476,3.5904751653470663,3.303921755014254,3.0887489492621243,2.8661788042921024,2.4720553772760847,2.382267586922737,2.034276551651908,1.5188174262750147,1.4786937848766801,1.1221847074144944,0.9174751601138905,0.6818400718916866,0.22875183823005213,0.14039711667429583,0.27052449530389666,3.7480863118688488,3.4931234638898414,3.3239361268309118,3.0743992887229856,2.6865928019571417,2.368770096194618,2.0480955061936172,1.7294790893528624,1.6491287387928468,1.633710310021127,1.1775508521974367,1.0810352413158006,0.8896979612165878,0.5197699974824006,0.4879014952583163,0.1601988344801016,0,0,0,0,0,4,4,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.36396103067893,5.414213562373096,3.474873734152917,2.2071067811865475,1.3838834764831844,0.8535533905932737,0.5151650429449552,0.30177669529663687,0.7603600936980844,0.5414213562373096,0.3860970815725463,0.27588834764831843,0.19769763949759778,0.1422588984322123,0.10303300858899105,0.07544417382415922,7.76624404923356,4.568914100752346,2.6414544923120316,1.45112371704284,0.6695759751233813,0.3707908118985982,0.17172168098165178,0.10059223176554563,0.70602218629396,0.45689141007523465,0.2934949435902257,0.181390464630355,0.09565371073191162,0.06179846864976637,0.03434433619633036,0.025148057941386408,15.847876246692454,30.539694100509827,28.9529411764706,29.399999999999988,17.94602395209581,239.84889820359285,0.511221814409434,0.9851514225970912,0.9339658444022774,0.9483870967741932,0.5789039984547035,7.737061232373963,2.577300000000001,46.58700000000002,41.63839022652778,66.32546526588186,83.27678045305557,7.570616404823234,41.63839022652778,5.551115123125783E-17,5.046468293750712E-18,-41.17294252526076,2000029.9561581695,181820.90510528814,15.959539988140248,150,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.396780045351473,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.82859410430839,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.308135078105316,0.0,6.795084876543209,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.396780045351473,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.198390022675737,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.26040816326530614,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.154067539052658,0.0,0.4722222222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.198390022675737,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.198390022675737,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.154067539052658,0.0,1.1894444444444443,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.198390022675737,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.5,1.9545454545454546,0.7,5.198390022675737,0.13570294784580494,0.4722222222222223,5.136345264235323,1.0277777777777777,1.6983900226757371,7.40983024691358,1.0277777777777777,1.6983900226757371,7.40983024691358,5.16666,0.4697,0.0,0.0303,0.4914,0.83939,0.42571,0.4914,0.83939,0.06568,0.0,-0.06568,0.0,0.55957,0.15472,0.0,0.19355,0.0,0.0,6.0,0.54545,6.0,0.54545,0.0,0.0,-6.0,-0.54545,0.0,0.0,9.9871,0.90792,12.33112,2.34403,0.21309,4.44925,0.40448,5.41421,0.96497,0.08772,-2.1E-4,-2.0E-5,-2.1E-4,-2.0E-5,0.0,10.02,2,2,2,2,0,0,1.0,1.1810386681053249,1.7142427007821253,3.034526148956974,3.2925906650860064,3.292590665086006,3.292590665086006,36.61219871126507,53.141523724245886,94.0703106176662,102.0703106176662,102.07031061766618,102.07031061766618,0.2383915763751996,0.34601832333290383,0.6125163313764622,0.6646064182363589,0.6646064182363589,0.6646064182363589,3.773157642281551,3.2399536096047505,1.9196701614299019,1.6616056453008694,1.6616056453008698,1.6616056453008698,0.24068983098223337,0.3493541719304497,0.6184213994240588,0.6710136696409638,0.6710136696409637,0.6710136696409637,10.707731638938535,17.106180031060138,19.855139896627314,20.11522377585312,20.11522377585312,20.115223775853124,40.21282013804009,28.470032731942464,26.10668428426789,25.121707447739507,25.121707447739503,25.121707447739503,11.0,10.0,10.0,11,0,4,2.23,1.494100000000001,0.09999999999999998,3.54037453540305,0.0,0.0,6.795301166654931,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.507,0.516,0.497,0.068,4.984999999999999,9.0,8.0,7.0,6.0,5.0,4.0,3.0,2.0,1.0,66.0,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,4.204692619390966,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.8,10.0,1.0,0,5.0,10.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.0,0.05,0.02469135802469137,0.015625,0.01142857142857143,0.009259259259259259,0.00816326530612245,0.0078125,0.008230452674897117,0.010000000000000002,0.0,0.14521040669354163,41.63839022652778,66.32546526588186,83.27678045305557,7.570616404823234,41.63839022652778,5.551115123125783E-17,5.046468293750712E-18,-41.17294252526076,2000029.9561581695,181820.90510528814,15.959539988140248,18.46,181.8007737347223,4.459431618637298,3.6635616461296463,4.290459441148391,4.9344739331306915,5.579729825986222,6.2324480165505225,6.884486652042782,7.5406215286571525,8.195609567288775,8.853236764745898,77.17462737568007,3.044522437723423,0.0,4.04305126783455,0.0,5.176149732573829,0.0,6.371611847231857,0.0,7.601402334583733,7.954372272531867,160.14632988,5.166010641290322,20.82876222801817,1.8935238389107427,5.908470869120796,5.908470869120796,0.0,220.0,8.0,2.6670000000000003,38.0,1.2335333333333334,2.104886887833873,2.8358204305694508,3.5679152649424206,4.85135841481215,5.858813537282184,6.924857764001429,8.014038981161836,9.11568499852899,10.205276843369639,88.84816556299997,80.60302863965174,90.58468935225778,116.10087207351734,150.78793051016166,191.87944783577984,157.1580404275276,181.20105735691033,135.38320785891415,117.9819889966322,270.72805254114417,295.86499962406606,332.6610715644394,411.0886348458488,563.014256616368,759.0220540143196,743.3928000705654,968.1372841625697,826.5081291671952,827.916956079537,9.453791500000001,16.101899339105696,20.815605979784124,27.052526712074783,37.142350828959245,43.833993816863426,50.854305312303026,56.377893701944906,63.21206615931666,70.54115201476822,1.9261161086866658,2.3232032340176962,2.711854847226374,3.2528039574863046,4.423295492781188,6.140312824830859,6.348919337359903,8.636483189715909,7.925466900164707,8.27396277297351,180.9034707930298,339.69298603358317,470.50813739568036,598.4314933100353,822.9689050949828,950.5361392491264,1171.5570813340237,1286.2151974068993,1533.2034478362993,1732.8495556282185,2.967199999999999,4.602052408907286,5.134309262587876,7.442993786140256,9.884745468181334,11.973882787090506,11.820799907674411,12.3110633185733,12.676092917634238,14.346787052402428,0.4391455000000001,0.5464994503539294,0.6388793012786816,0.8048744848208457,1.0862362599270279,1.4367263061854443,1.4523741560068673,1.845378689755746,1.7169049446863258,1.8039589267337077,494.6890546018021,498.2424006303495,17.131284035612452,189.63841989913212,-191.00059057976503,-21.11271587375987,305.05063470267,689.2429912101145,38.24399990937232,0.7228835214640017,0.7280759858336937,0.025033751637848448,0.2771164785359984,-0.27910700314795606,-0.030851772960243832,338.529311398906,340.9609637126497,11.723408339048841,129.77478095792077,-130.7069517796375,-14.448011533745875,0.14608427666364548,0.3522149356062752,0.7120937925758843,4.814727110523684,650.5800198859131,33.74745461502108,0.9506852261928657,0.049314773807134366,763.2090104821183,27.62623771855513,9.138631447955268,956.9497321178706,30.93460412091725,9.854389146037597,1257.6331944138035,35.46312443107352,10.794055926688314,3.6578331791716563,3.6578331791716563,2257.548189493783,2218.2952511912426,69.29926689925378,1.017695091887097,32.57679756952945,32.01037111137361,5.251204197510128,6.6664924798053,13.15249175099805,0.9729253112998605,5.578011452147105,7.222227916985011,7.500783969231576,25.741832595785446,8.042196287891091,1.8375338870111229,10.905368443324615,18.988885625100483,5.605094664630049,3.864497275333432,15.512410376768774,0.6357189595359453,18.744598628102462,0.5283045685508303,1.5190993624369622,5.3084038150745085,9.088701487079682,5.455103683698714,7.840364463219591,1.6761327232569745,1.2578771875019963,6.48115016123811,1.0390675531726166,3.201369245811844,2.076926063697041,1.1387162360422723E-5,1.279234498288401E-31,2.771867870036614E-79,1.1584326534447376E-148,9.337808473630755E-240,0.46812432702260864,7.730134364509722,0.926425772855627,5.185051589778078,0.060747719583647594,1.9590581470454715,1.0899174647093584,4.227671248015916,0.48495806988671275,0.43494043220605516,2.8532186405623294,0.026730523733294386,5.124482826626085,0.0581292851040031,0.1844132427025711,0.1996760596218126,0.2562270839496241,1.192965649722124,0.34957828054253254,0.1933442741077531,0.030740224102855696,0.18425125886792917,0.0351084280166787,0.2686686032204233,0.014627960087100725,8.020071557903546E-8,9.00975316841882E-34,1.9522492051234848E-81,8.1589358977876E-151,6.576694858835455E-242,1.511161017509873,6.785209324256608,1.5565410195811267,7.419779772684703,0.6007999024253363,1.42493155727949,2.609551839573346,4.594881668464245,1.022987348448356,0.7510008771216723,4.653808434707416,0.10244810462438649,5.495535191278766,0.10123936364553092,0.4567910726359688,0.8038396765024848,1.1608422576832782,1.8420646828313376,1.331700901475775,0.447497169557598,0.14844201108478883,0.8316771742666416,0.10219487740555691,0.8672950901476326,0.15243462232385901,8.357532914102851E-7,9.388857457113017E-33,2.034394190943561E-80,8.502240262758915E-150,6.853423108745454E-241,5.265187942888,7.7284136632642815,8.721916975000562,24.284350476838494,7.1682796775361455,2.123520080073668,11.514067027416603,18.539874938899224,5.208989526924785,4.853119987464408,15.661960672243376,0.5844388073614223,18.05586507857888,0.6603330109937597,1.437373583294903,4.840476052333787,8.230201617303832,5.116033594855916,7.188306484730461,1.56819418021703,1.1357785048542985,5.869988724708584,0.9288416035542625,3.021831330024683,1.8505037307275038,1.0145756653875559E-5,1.139774907222355E-31,2.4696843687617227E-79,1.0321426383277942E-148,8.319819236373636E-240,2.227173079079075,6.426144585179339,1.7884055306852265,9.454050765862238,1.2949143768855964,1.2295489211511414,3.446372607846021,5.587752489962333,1.5478787003648267,0.7436553032285129,5.835388191484592,0.16804411131473973,6.516790659182433,0.10101515293415328,0.6437867341485282,1.348819355116765,2.048550484178638,2.353238882045984,2.168285163344437,0.636370521522877,0.2686666278479952,1.4655220853539899,0.18917606533508763,1.2782334770365227,0.3311083690118705,1.8153678278370478E-6,2.0393852998209298E-32,4.418976031964535E-80,1.8468001976406457E-149,1.4886550792013256E-240,6.736256653274693,7.542980263046306,10.511632386512678,33.664726268238724,11.715396322586313,2.1039854263032,14.313739519429484,25.650724182199557,7.507889102505095,5.642623451675567,19.94230563416146,0.8577409159581391,24.66006303656248,0.7715747476963857,1.821733089098752,7.217119387837603,12.628157816639625,6.799255443912041,10.474320738601827,2.0952681988839403,1.7632893705103765,9.00023698137922,1.5025528219788125,3.8661174323573313,3.0290014711238396,1.6607106119247418E-5,1.8656432912834177E-31,4.042508783946195E-79,1.6894651537263182E-148,1.3618316076862972E-239,3.5457852194461053,8.57774843823041,8.648083405560048,15.370311941736414,3.1089842182048284,2.563976373030225,9.368519292771927,12.971028099854745,3.0781291406171456,5.209321315701672,12.09577084456792,0.3122653084328811,13.725918436256686,0.703822469440107,0.8983877481706606,2.6972478022690414,3.9830304406326396,3.2058218018500577,3.7580777329586708,0.9505580744684402,0.5939318539990004,3.1745491456425845,0.4326534495120635,2.46669049655887,0.8001474965968725,4.3869686144791474E-6,4.9283231563072765E-32,1.0678777525468049E-79,4.462927226112901E-149,3.5974434547638105E-240,17.34253564883561,0.8416701507547191,0.480855493548387,0.929144318171124,0.045093350487100586,0.6016793747133483,0.5645700123232041,0.5806295674605783,18.665061293138717,23.34066984857201,49.02463192489548,0.8937164772566859,1.7468789544971308,13.759008002679638,0.3435797857055629,0.09376047512682743,0.9691934677344836,0.024201983448704494,0.3787164582156389,0.09407823573531629,0.022075450877273584,14.196348263512029,6.049582352638586,20.689166106122382,0.9537902016017255,0.4948701448282288,16.064044831542176,0.5602327252728649,0.25482175120859557,0.95171220563327,0.03319091351080286,0.5162377360753228,0.2501329490411489,0.16305832456373573,16.879099308023637,13.235831134485714,32.40822519583637,0.9275683084499049,0.9294290096802074,16.917637676404823,0.8130155578452039,0.4607295392144238,0.92998085341167,0.04469234515977201,0.572557847489418,0.5267828991526854,0.5330428209760539,18.19138277346445,21.923338327492054,46.4517346152307,0.8949712801175052,1.6323835676181573,16.926132675649573,0.6608366533234671,0.3316519793685356,0.9446113283151993,0.03687988277400732,0.5731329986713585,0.3480344237596045,0.27620731163725637,17.918621308341578,17.01816206013288,38.64644636061626,0.9169169924727991,1.1973747340682193,17.38808980611691,0.871944017746185,0.5060707797616217,0.9265689482919306,0.04646377264559034,0.6048444245584708,0.6059142414023126,0.6431207288980608,18.766104603624715,24.40231044219304,50.84117725754693,0.8898534224378959,1.8538793948588443,17.17005336344988,0.8243802367719386,0.46794616282670454,0.9300021765241139,0.04465189468271539,0.5897707400999388,0.541613023643548,0.5498722011572017,18.462379763048524,22.575078812611356,47.661073972716935,0.8950032647861708,1.6812559649006884 +UMLCN0187,L,oleic acid,CCCCCCCCC=CCCCCCCCC(=O)O,Acids,Olefins,C18H34O2,NREL (2014),Other Ignition Delay Method,PubChem,,46,1,-2.342700000000002,5.4882432900000095,68.917,55.95496199999996,0,0,54,20,34,0,18,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3143.236355999997,3252.478931000002,3740.6486350000037,3415.297808999999,3203.430151999998,3006.673422999998,2809.9166939999977,2613.1599649999976,2416.4032359999983,9112.933096068298,11673.568304742834,15469.687312144306,16086.41858717497,15028.690356025305,14021.892011070177,13015.093666115046,12008.295321159914,11001.496976204786,390.8604959999998,392.6095640000002,723.810076000001,1003.9786440000029,938.3410400000029,875.4561400000026,812.571240000002,749.6863400000016,686.8014400000011,66.603446764866,87.37171021599995,126.76953922243277,140.23083991609099,131.11915597554375,122.09762711614766,113.0760982567517,104.05456939735576,95.0330405379598,8940.401150049467,7700.4190615818525,15464.29077811032,23232.01771386537,21752.79593415489,20273.840779116308,18794.88562407773,17315.93046903915,15836.975314000565,165.27777777777777,122.16666666666667,218.99999999999997,244.58333333333331,226.33333333333331,214.08333333333331,201.83333333333334,189.58333333333334,177.66666666666669,58.20808066666661,61.36752700000004,37.40648635000004,24.221970276595737,24.268410242424228,24.444499373983724,24.64839205263156,24.88723776190474,25.17086704166665,168.75802029756107,220.25600574986478,154.69687312144305,114.0880750863473,113.85371481837352,113.99912204122094,114.16748829925479,114.36471734438014,114.59892683546651,7.238157333333329,7.407727622641513,7.23810076000001,7.120415914893638,7.108644242424264,7.117529593495957,7.12781789473686,7.13986990476192,7.154181666666678,1.2333971623123334,1.64852283426415,1.2676953922243277,0.9945449639439077,0.9933269392086648,0.9926636350906314,0.991895598743436,0.9909958990224358,0.989927505603748,165.5629842601753,145.29092569022365,154.6429077811032,164.76608307705936,164.7939085920825,164.82797381395372,164.8674177550678,164.91362351465858,164.96849285417255,3.060699588477366,2.3050314465408808,2.1899999999999995,1.7346335697399526,1.7146464646464645,1.7405149051490514,1.77046783625731,1.8055555555555556,1.8506944444444446,0.37984684604609076,-0.22185164226316395,0.09150561765795823,-0.069113477032883,0.006258615299449795,0.0010260866064880515,0.002339789878597915,0.001751726999440163,-0.02013288228741293,1665.6776333333328,-62.810787567898224,-531.7798330987623,-57.56081314814878,2.9700687407400963,0.1956232962957145,-2.5788221481485536,-5.353267592593049,-8.127713037037658,2679.4915370158133,-62.06198036290972,-1235.8617691202355,-41.02932152875604,6.718771151236595,5.688558063034478,4.658344974832588,3.62813188663047,2.59791879842858,2.238671999999994,-0.0863364444444493,0.9029471111111105,-0.11666266666666153,-0.03429866666666184,-0.048222666666662736,-0.06214666666666357,-0.0760706666666644,-0.08999466666666517,11.931444995579971,-0.14601857720897038,-5.640148724608966,-0.036369766596995576,0.009295150744001751,0.009069460215002073,0.008843769686001507,0.008618079157001829,0.008392388627999486,65.66481794672804,-0.5961300101035187,-30.348717944928687,0.011860161095813115,-0.0034116699625648117,-0.003416416066867267,-0.0034211621711732754,-0.003425908275475731,-0.0034306543797781863,59.25102880658446,-0.7700426764212778,25.56908245694252,-4.03200731595792,-2.119798811156829,-2.6149977137631413,-3.1101966163694517,-3.605395518975764,-3.767261088248743,0.007034200852705385,-0.004185880042701207,9.150561765795823E-4,-4.90166503779312E-4,4.741375226855905E-5,8.342167532423182E-6,2.0524472619279957E-5,1.6683114280382503E-5,-2.0971752382721804E-4,30.845882098765422,-1.1851091993943061,-5.317798330987623,-0.4082327173627573,0.022500520763182548,0.0015904333032171912,-0.022621246913583803,-0.05098350088183856,-0.08466367746914227,49.62021364844099,-1.1709807615643344,-12.358617691202355,-0.2909880959486244,0.05089978144876208,0.04624843953686567,0.040862675217829714,0.034553637015528285,0.02706165415029771,0.04145688888888878,-0.001628989517819798,0.009029471111111105,-8.273947990543371E-4,-2.598383838383473E-4,-3.9205420054197346E-4,-5.451461988303822E-4,-7.244825396825181E-4,-9.374444444444288E-4,0.2209526851033328,-0.002755067494508875,-0.056401487246089656,-2.579416070708906E-4,7.041780866667994E-5,7.373544890245588E-5,7.757692707018866E-5,8.207694435239837E-5,8.742071487499465E-5,1.2160151471616303,-0.011247736039689033,-0.3034871794492869,8.411461770080224E-5,-2.5845984564884937E-5,-2.7775740381034693E-5,-3.00101944839761E-5,-3.2627697861673625E-5,-3.573598312268944E-5,1.0972412741960085,-0.01452910710228826,0.2556908245694252,-0.02859579656707745,-0.016059081902703252,-0.021260144014334483,-0.027282426459381157,-0.03433710018072156,-0.03924230300259107,-0.5950754222622601,0.13008672850557682,-0.06968332494952739,0.006740460396481786,0.0011859438914393165,0.002917811567946081,0.0023717142330341766,-0.029813980041039027,-0.03842033745702928,-0.17239897092132317,-0.013234593715155788,7.294497427934833E-4,5.1560636136933393E-5,-7.3336359262325E-4,-0.001652846260599535,-0.002744731928821412,-0.023598865773951084,-0.24906417732827815,-0.005864305583411508,0.0010257872287569502,9.320483757795902E-4,8.235086512795289E-4,6.963621168651281E-4,5.453756072480747E-4,-0.03929357849755093,0.21780387658397524,-0.01995795683732781,-0.006267676875965212,-0.009456913218759435,-0.01314971319462642,-0.017475564594927745,-0.022612513132785547,-0.012469038306642052,-0.25526500037649424,-0.0011674065284622327,3.187008505180541E-4,3.33716011950577E-4,3.5110198834609457E-4,3.714684178380249E-4,3.9565355285956655E-4,-0.009249667708451667,-0.24957516372857153,6.91723436974769E-5,-2.1254656757535884E-5,-2.2841607233156282E-5,-2.467912883653184E-5,-2.6831654143315386E-5,-2.9387777945120847E-5,-0.013241487942507726,0.23303062925406254,-0.026061539279982615,-0.014635871143719387,-0.019375997343804463,-0.024864564522850324,-0.03129402893258977,-0.03576451590498675,1.5943932742709759,0.6043498547367406,0.7414070758224033,0.6888766462459233,0.7306899846902056,0.7712424048381988,0.8221070036949264,0.915636259077484,1.2762723653470456,1.237759736758989,0.9499876126043919,0.9293072221008309,0.9346681562406919,0.940875553665794,0.9481470763637709,0.9567820095676185,1.4147365550567221,1.431771168689627,0.9815430801654319,0.9747447221942879,0.9736611416583193,0.9724064694587767,0.9709367105964555,0.9691913719474489,0.7949802382841273,0.37486031004095366,0.7313237744241193,0.6715378716949305,0.7115451895958542,0.7578694524285026,0.8121350174610338,0.8765753759371645,1.4556967050401042,1.4640532305609402,0.9763629327431066,0.9748894687123368,0.9735304762155921,0.9719569059562034,0.9701135807952052,0.96792463216652,1.4583644580698119,1.4568699688900406,0.9706578832948495,0.9699817828423843,0.9692080021949092,0.9683120456557271,0.9672624965669707,0.9660161570240728,0.717287123211556,0.33705228156688366,0.7380147360892308,0.662968499412796,0.7078422138576144,0.7598012516358252,0.820667553033158,0.8898403858174732,258.96136267352335,129.73068133676165,206.26793786762582,259.4113626735233,12.970568133676164,129.73068133676165,0.49999999999991473,0.04150302855033933,0.002075151427516966,-6.363977754583149,175.0466946467446,8.75233473233723,10.330105529768934,258.96762613926603,129.73307864873163,206.27064820411618,259.4163041816435,12.970815209082179,129.73307864873163,0.49853115819720983,0.041469334271175606,0.00207346671355878,-6.36560211623178,175.05009521622924,8.752504760811462,10.330144382675709,264.56735476384324,131.88468290386356,208.71205341249333,263.8491647033388,13.192458235166939,131.88468290386356,-0.797988956116086,0.011362601234807035,5.681300617403518E-4,-8.954855819928511,179.27017537551959,8.963508768775979,10.377788055084325,258.9741998835534,129.73559474199556,206.27349285473582,259.42149052394734,12.971074526197366,129.73559474199556,0.496989600437729,0.0414339709700714,0.00207169854850357,-6.367308359578586,175.0536670572794,8.75268335286397,10.330185191617916,270.6147672500359,134.22508936067862,211.38861050970053,268.666637574225,13.433331878711254,134.22508936067862,-2.1645885286786495,0.021230783285902666,0.0010615391642951333,-7.704606217419177,187.46531300109964,9.373265650054982,10.46718766193776,259.6179220258433,129.98209519879995,206.5522973151748,259.92956356042424,12.996478178021214,129.98209519879995,0.3462683717566222,0.03797163217652311,0.0018985816088261554,-6.541831839424506,175.41756765023086,8.770878382511544,10.334338465127276,270.1202490310036,135.15686488102267,214.80404720652945,271.0291379198924,13.551456895994622,135.15686488102267,1.2984126984126476,0.04845707944691352,0.002422853972345676,-6.0541536654086014,284.8467812223219,14.242339061116095,11.303902851916954,0,11.996163377277338,15.998263803527717,-0.3513929481885795,0.2787571757137593,3.7223917187343574,7.7951084113074485,19.0,53.0,51.0,51.0,17.0,2.0,2.0,0.0,0.0,2.0,38.12703799999999,3.5842335372672345,3.525887001682176,3.4419503792332016,3.3055874061365267,3.1461687535267804,2.940668036443336,2.7325131151345303,2.4864449584032378,1.9466636033730749,1.9044456676151085,1.8136245927388566,1.712837120705125,1.5753370557984439,1.4368004361364919,1.2825132534123074,1.13806897021654,3.6035877087037105,3.5221047111471897,3.4429996192603927,3.2917616723185352,3.1450712961704403,2.9338010375542267,2.743037406980164,2.4982330246920634,1.892523407947133,1.84804866368958,1.761532383643224,1.6585865588279594,1.5236817950696544,1.3816906066999501,1.2261474739794498,1.074315585899183,3.712682310004273,3.654520776504749,3.5769732768639377,3.451166241482454,3.3103815984930103,3.1298368010931403,2.9511387879346263,2.7449929092716325,1.7317830569235213,1.6669614923957663,1.5807226710599482,1.4474326226864573,1.303454126659207,1.1211104232077587,0.9472114869650397,0.7461486697261669,3.620864022503612,3.5392933684913768,3.457216889534449,3.304416621193527,3.157431283015268,2.946858903531337,2.7600846098828153,2.5195263804890367,1.8589603305394171,1.8143175269550058,1.7328965998159718,1.6288151229648373,1.4962344603610398,1.348998446552941,1.1904167979856008,1.0284971581800337,3.764377154064543,3.7078476759671113,3.6259516297949275,3.504566908252779,3.366429335864204,3.1966904841499697,3.027475082016091,2.8381357471015685,1.6831655500934386,1.6129949314272973,1.5302691517509248,1.390973543308078,1.2474309124182128,1.0549883155774233,0.8761314811473806,0.6590907072847958,5.16431962614773,4.13873849279242,3.7066409981336657,3.5357205391911863,3.462715756605569,3.297712079534688,3.130492534241474,2.923180848450263,1.8085299710969132,1.7754674753122748,1.6324425106560945,1.535789226910734,1.3423535640926563,1.1950793365749408,0.9936671942029159,0.8278931500463143,0,0,1,2,0,1,14,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.06454972243679027,0.0,0.0,0.0,0.2886751345948129,0.20412414523193154,0.14433756729740646,0.04564354645876384,0.03227486121839514,0.02282177322938192,14.891058768174391,9.770055610029663,7.132269453018,4.385027805014831,2.923906201320913,1.9425139025074156,1.2851764053638195,0.8462569512537077,0.7445529384087195,0.514213453159456,0.37538260279042107,0.25794281205969594,0.18274413758255706,0.12950092683382772,0.09179831466884425,0.06509668855797751,13.409657360954743,8.63822102902279,5.728027239136749,3.652443847844729,2.3469655523185784,1.4928885905890312,0.9377805157637735,0.5797776286278489,0.6704828680477372,0.454643212053831,0.30147511784930253,0.21484963810851346,0.14668534701991115,0.09952590603926875,0.06698432255455525,0.044598279125219145,28.64067087319352,52.75455207574661,50.03137254901955,50.72000000000004,32.535905389221604,414.53207305389225,0.5303827939480281,0.9769361495508632,0.9265068990559177,0.93925925925926,0.6025167664670668,7.676519871368375,6.0346900000000065,86.81780000000008,136.49642129976056,217.1611856215964,272.99284259952117,13.649642129976055,136.49642129976056,0.028600361469098723,0.001430018073454936,-7.108671844913046,170.27343308966326,8.513671654483163,10.274811149702758,521,1.0,0.0,2.0,3.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,15.0,3.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,14.0,0.0,2.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7011806495672339,0.0,18.83226455988449,3.996024321787967,7.239041623803108,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7011806495672339,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5177814985039012,0.0,0.0,4.288465439344989,1.149423368788899,0.0,0.5177814985039012,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2588285896844735,0.0,16.579549195309735,0.0,4.660258177702261,0.0,0.0,0.0,0.0,-0.6642338559142937,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.508189546874622,10.324075013009868,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7011806495672339,0.0,8.508189546874622,-0.6642338559142937,7.239041623803108,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7011806495672339,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25707894433408507,0.0,0.0,0.21259071167196744,0.30796889348025713,0.0,0.25707894433408507,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2588285896844735,0.0,0.33150677890982094,0.0,2.3227101179978162,0.0,0.0,0.0,0.0,-0.6642338559142937,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.508189546874622,10.324075013009868,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7011806495672339,0.0,10.324075013009868,2.337548059704445,7.239041623803108,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7011806495672339,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.26070255416981614,0.0,0.0,0.5194926697530864,0.5194926697530864,0.0,0.26070255416981614,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2588285896844735,0.0,1.4048537887377173,0.0,2.337548059704445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.508189546874622,10.324075013009868,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,41.66666666666667,2.0833333333333335,0.7011806495672339,10.324075013009868,0.21259071167196744,-0.6642338559142937,10.365685926323533,2.3309005225809605,3.3240750130098675,13.502702654542446,2.3309005225809605,3.3240750130098675,13.502702654542446,9.66666,0.48333,0.0,0.01667,0.47654,0.77667,0.42903,0.47024,0.75397,0.04751,0.00631,-0.04121,0.0227,0.62232,0.09197,0.0,0.12069,0.05172,0.0,12.5,0.625,10.0,0.5,2.5,0.125,-7.5,-0.375,0.0,0.0,23.13437,1.15672,28.06635,4.93199,0.2466,8.32894,0.41645,9.77005,1.44111,0.07206,0.14395,0.0072,0.14395,0.0072,0.0,19.02,2,2,2,2,1,1,0.8333333333333334,1.1246581201547063,2.043985262734452,2.9997295378472164,3.75799317027852,4.157872114061109,4.087496761102215,60.73153848835414,110.37520418766042,161.9853950437497,202.9316311950401,224.5250941592999,220.7248250995196,0.1954266038618317,0.3551738000032224,0.5212490316656078,0.6530089717419768,0.7224940735154276,0.7102652761788267,4.630229382008762,3.710902239429017,2.7551579643162527,1.996894331884949,1.5970153881023599,1.6673907410612543,0.19453176689970186,0.3535474981694777,0.5188622895803872,0.6500189153577896,0.7191858524793683,0.7070130494631053,9.580184202474621,17.219439067687443,21.52148704680135,23.943000687047856,24.47934419236589,23.207393870623807,74.1641927682729,54.83647674886128,43.585228500403375,34.625938403544005,32.4478890609331,36.445059275925985,20.0,17.05263157894737,19.058823529411764,20,3,18,3.2199999999999998,2.6761999999999997,0.0,2.352779665665871,0.058823529411764705,0.0,27.408212328519852,2.352779665665871,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.591,0.43299999999999994,0.42600000000000005,0.6080000000000001,0.28800000000000003,9.797,19.0,17.0,16.0,15.0,14.0,13.0,12.0,11.0,10.0,166.0,3.091042453358316,3.1780538303479458,3.091042453358316,3.091042453358316,3.091042453358316,3.091042453358316,3.091042453358316,3.091042453358316,3.091042453358316,3.1354942159291497,5.455321115357702,1.4036144578313252,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,0.7894736842105263,17.0,0.8947368421052632,2,9.0,18.0,1.0,1.5,0.44444444444444464,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.07894736842105263,0.023391812865497085,0.014705882352941176,0.010000000000000002,0.0074074074074074086,0.0058309037900874635,0.004807692307692308,0.004115226337448559,0.0036363636363636372,0.003305785123966942,0.17877229068511244,136.49642129976056,217.1611856215964,272.99284259952117,13.649642129976055,136.49642129976056,0.028600361469098723,0.001430018073454936,-7.108671844913046,170.27343308966326,8.513671654483163,10.274811149702758,37.3,332.19171796592366,5.321928094887363,4.343805421853684,5.003946305945459,5.6937321388027,6.364750756851911,7.057036981697891,7.732369222284388,8.4252971767117,9.10286651367095,9.795958019593462,102.51976253741213,3.6635616461296463,0.0,4.74493212836325,0.0,5.942799375126701,0.0,7.193685818395112,0.0,8.47407690034261,8.805525052709516,282.2558803280007,5.226960746814829,38.66155413230578,1.933077706615289,4.764172033029732,4.764172033029732,0.0,1313.0,17.0,8.192000000000004,76.0,1.2328326174600115,2.1475670495295374,2.8881534138952043,3.63618635685224,4.989083644631595,6.008322375128246,7.338830305943237,8.446736081126906,9.757286547620339,10.902159606045728,87.62567830458946,89.56588824298247,84.58651005131424,113.69249563077359,144.10625534145854,175.3936386488206,207.55510537041576,240.80620361280936,275.31244917229156,306.85788418050373,299.2344012848595,355.8018653049192,364.86732173535705,491.2661043604316,629.5391589667853,766.8602243530509,908.7766825976304,1049.9157814033808,1194.2712046255483,1336.4769115836716,9.1641759521632,15.615116757004435,20.642155444868116,26.07326112468509,35.6715840775662,43.05877752326226,52.59058752910439,60.66676268329584,70.18295842623829,77.95399024479923,2.1829500452646706,2.858981379417525,3.068625284943943,4.100879063133424,5.317365249542005,6.466253286637406,7.694093806040069,8.870488114186868,10.09132617526719,11.358477683686953,176.64855469465763,328.6372311188456,471.9588912554408,583.702459219892,812.3800577090549,974.813925931209,1198.247267394924,1377.7542425404924,1597.3720668168912,1778.10551462333,2.912397466191791,4.873508536656692,5.17408338973134,6.640728516612413,8.996824309863959,11.073504404105766,13.630502687790846,16.10446238441013,19.450478595236543,20.493369051721672,0.46277529273813733,0.6180976752434288,0.6714133910150776,0.8936061605593181,1.1648525308540976,1.4189802168018268,1.695604919178885,1.960691102570561,2.240903966717386,2.50811649701193,647.5736793410452,958.5027272197989,24.409239766329144,179.7727308631547,-266.08964865191206,-30.972117159087034,467.80094847789053,1224.5923758717108,55.38135692541618,0.782711656633907,1.1585264834632303,0.02950304668670119,0.2172883433660931,-0.321618182384133,-0.03743548866241254,535.7677589455394,793.013790536236,20.194896896486018,148.7343235322368,-220.14831560465623,-25.62466994799456,0.1748822585168593,0.22397915881494973,1.1879592180173224,8.515527319200155,715.5043045646937,111.84210563950604,0.8648182861977947,0.13518171380220526,1314.5087940349881,36.25615525721099,10.954380749713632,1660.9361347442757,40.754584217536504,11.842706817424792,2283.190520207921,47.78274291214267,13.167825142997524,4.821408067218571,4.821408067218571,14258.997491482432,14158.123263853131,148.16554140749395,1.0071248304418172,96.2369344182833,95.55611331324734,8.313273107768769,12.084379152029285,23.24094014234364,0.9232216938874244,14.041784019057413,15.5676112427948,7.483777855164166,72.13107772992824,36.49713578810654,0.7952554750472148,15.41910978177755,10.493121055791402,56.235562847258564,0.5674890881494846,1.506315078291408,44.71547551244573,2.6924302919406604,61.31928197516402,0.009920413632015576,2.428538263969246,30.371338365264815,0.20494342310784422,55.04698803291134,5.3643064863427815E-5,0.7014329761770409,21.258177085864297,0.49378406909719413,53.82387549370618,9.296333246558373E-6,1.8059995540312141,12.711454231739925,1.2853473611434176,39.20002826780439,1.1288677644359875E-5,1.2128336094122765,15.590577320337594,0.6251508964108173,17.495401317362166,0.3707697538464117,0.08356893307569817,2.531010158569337,0.09180850180199748,16.188613397321824,0.004004276508870495,0.10412240214823446,4.427625109261944,0.052848357185246664,15.006290221058089,7.030957419942868E-5,0.14964288665949182,2.2379797631513574,0.015192460574906917,12.100509683003212,5.94797744696184E-7,0.24742221751702034,0.5494720509273908,0.04120190386080243,8.391833546813071,6.016655374994333E-7,0.4131967806399563,0.231906513907474,0.059729501863889214,6.001128713190421,9.289573230094297E-7,3.734648980261278,15.525575296541609,2.0108995311348226,20.814139322400386,2.8167621820861295,0.22171222085215822,4.970612276882801,0.798028160709378,20.64781947188938,0.04166924301780294,0.2506428411402851,11.279554815413547,0.25300966325566787,21.12362335496759,7.292285554615991E-4,0.33180287783016343,5.326427251284379,0.05033978168196414,17.68915871999994,4.494535486545854E-6,0.26556998570370843,2.509452169263946,0.13315902723429063,14.5507958713621,2.0598153044101022E-6,0.42363303471574143,1.2236054502203897,0.22452460332908564,10.409187244442172,3.0109265931650165E-6,13.549400427835588,15.60151337990136,7.061325238067048,66.56194091235554,32.88306042940021,0.7545842176616285,15.22460938102126,9.362582191077864,53.80233054125048,0.5056276530174929,1.381828229624459,42.242668357682454,2.484537617623827,59.33657231100722,0.0088392121893817,2.2040210075267437,28.135362743827116,0.19211842345253793,52.77311698790545,4.79444132213126E-5,0.7131005584250565,19.267757170429448,0.4659278509872205,50.82148014253476,8.652181141727146E-6,1.7169507823774321,11.548148376250797,1.180113625457432,36.9980382783364,1.064290524611044E-5,5.412600180460788,15.501635637651543,2.9669744215571234,25.427714191404064,5.873119361064087,0.3189385365858952,6.5343292525149,1.7025403098036795,24.62685231761916,0.09049314500017334,0.39325778063279887,16.39080439035183,0.47232671583292346,26.020645554154665,0.0015829026171900048,0.5416275498014912,8.238257720968159,0.0755166279932375,22.33281139691909,9.228808904272489E-6,0.29448998697407247,4.509578955236519,0.1964107064169278,19.57436844169308,3.1547646602453524E-6,0.5152394807182445,2.3281690777842354,0.363002286637858,14.03526331997366,4.4498337781565085E-6,17.194496305227148,15.595690809545838,9.060008161267,97.3097312580341,53.206011718631615,0.9617296746374862,18.83737722626602,15.273153076171145,71.23549119763791,0.8276057623380723,2.0492452643995707,55.69712304408792,3.8892386132549523,76.9148454136687,0.014466561726884139,3.409998074318924,40.831646796091974,0.2541047357311715,69.3824338717361,7.752568761099161E-5,0.8925894618216889,29.844443701680827,0.5970958799030556,69.19906273105543,1.18090622180215E-5,2.4779879680649963,18.240633258240493,1.7092811382065496,50.61288558530912,1.3692805120706448E-5,10.418670778890885,15.154609386488879,4.8655751112543,41.834270160956045,16.750546255247784,0.5029315337520129,14.043040691164393,4.212504748710033,43.01193203820836,0.2237622298269411,0.7803869065629334,29.765644529663618,1.5944033893846357,51.342784790125485,0.003912426791453616,1.1648504838674398,18.38481804914063,0.11641907599738292,44.17058028449362,2.1936356228650102E-5,0.9229798238570313,10.005470089487376,0.3881444701276967,35.7977810108175,5.040804086094974E-6,1.4185933749225643,6.28209996149572,0.6367145906403919,26.01328993090371,6.6288920132170606E-6,47.117388273336985,0.8733379362209559,0.43448269079186336,0.9729929791381164,0.01803477891067285,0.5679762309464635,0.6634862120255022,0.5555290625180908,48.4252089003498,62.000542491341925,128.304454572919,0.9594894687071748,1.7869915054900565,51.42466983107751,0.44876654991172105,0.08372545563354827,0.9897513261555804,0.008637241412894136,0.6768872210198869,0.1662948639022829,0.020628937696634264,51.95716183662278,27.420798756718224,81.31014916807294,0.9846269892333707,0.863811022618804,46.98620726799023,0.5802443124772907,0.22192914742696346,0.9832140481078068,0.0121419538314383,0.5648092787261851,0.2929936995830022,0.14494075338727075,47.788380727894484,37.81986157750956,91.65880307386223,0.9748210721617101,1.0027437316964583,48.13461033889201,0.8702341431521847,0.41979838516342083,0.973899001520727,0.01760729248950365,0.5927470385221665,0.6605948652157558,0.518612944479676,49.42464286720761,62.46053596297671,129.46985369239357,0.9608485022810904,1.7719548482175984,45.68171814712283,0.6500744552431675,0.2879240243870708,0.9798797901939207,0.013944195766949762,0.5338773772023387,0.3684779322372941,0.24395944282466744,46.61971662675307,43.03655422220314,98.20661183304642,0.969819685290881,1.1463147522643002,47.45401847406156,0.9148228355789569,0.46087252138928736,0.9718266758283963,0.01873496205086532,0.5761227950600606,0.7278046624058537,0.6250625150551186,48.82971383102981,65.70388959110956,134.54101041834105,0.9577400137425944,1.9289899725210329,48.26092649700456,0.875625816262337,0.42059121275137884,0.973843992272614,0.017669013061711675,0.5958604297987813,0.6689305916545728,0.5205736900757815,49.55714352601827,62.92491528537476,130.2556181093829,0.9607659884089209,1.7853647115291356 +UMLCN0188,L,propyl linoleate,CCCCCC=CCC=CCCCCCCCC(=O)OCCC,Esters,Olefins,C21H38O2,NREL (2014),Other Ignition Delay Method,PubChem,,42.5,0,-1.0249000000000044,1.050420010000009,87.9611,63.90213399999995,0,0,61,23,38,0,21,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3580.0929749999973,3777.579610000004,4305.07139400001,4131.543389000016,3918.08036,3732.462031000001,3386.9306730000008,3157.964312,2975.3467990000004,10507.818779040015,13315.001061544443,17335.675577744554,17943.64949148448,17033.52409955414,16323.284200144311,15418.494449772656,14404.726807035371,13574.832567312624,440.3558999999996,443.8414720000003,816.4932480000009,1082.9892680000028,1005.3145520000028,942.8858440000024,913.8288840000023,856.5219680000022,814.1916280000022,76.74859838426185,99.32180377999991,140.5442311489801,152.58301523663835,143.27874150099714,137.77601732875198,131.5108437899028,123.77700690190268,116.75824816220471,10060.454826416462,8687.7795640452,17408.834519021955,24838.47541107005,22810.813305960786,21357.000407374,20770.88425211511,19629.169422797968,18673.172119520783,157.52777777777777,135.75,231.58333333333331,271.91666666666663,264.5,252.5833333333333,240.08333333333331,210.33333333333331,200.91666666666669,58.69004877049176,62.95966016666673,38.438137446428655,27.361214496688845,28.18762848920863,28.492076572519093,26.668745456692918,26.316369266666666,26.099533324561406,172.25932424655764,221.91668435907405,154.78281765843352,118.83211583764557,122.54333884571324,124.60522290186498,121.4054681084461,120.03939005862809,119.07747866063706,7.218949180327862,7.397357866666671,7.290118285714294,7.1721143576159125,7.232478791366926,7.197601862595438,7.195503023622066,7.137683066666685,7.142031824561423,1.2581737440042926,1.6553633963333318,1.2548592066873223,1.010483544613499,1.0307823129568139,1.0517253231202441,1.0355184550386047,1.0314750575158558,1.024195159317585,164.92548895764693,144.79632606742,155.43602249126747,164.49321464284802,164.10657054648047,163.03053746087022,163.55026970169376,163.57641185664974,163.79975543439284,2.582422586520947,2.2625,2.067708333333333,1.8007726269315671,1.9028776978417266,1.9281170483460557,1.8904199475065615,1.7527777777777775,1.7624269005847955,0.35073825472087106,-0.164168174921962,0.009217077809401177,0.0023919940734766962,-0.032401792952228864,0.022643787006147355,-0.015581328473184095,0.001975613609675921,-0.018239465483943278,1874.7235309180353,-18.39283205051924,-537.4616045708111,133.06139553077014,-97.43304010830454,-125.46179731577526,-249.29510071459316,-70.66426185514695,-66.1785699615699,3072.795279132405,-146.9883419522692,-1231.2753985121528,186.1667184067116,82.85906294318863,-149.42810747554813,-221.09542677461639,-95.53043902350103,-89.86508416852419,2.2830983606557314,0.05569918624024624,0.8091395345337162,-0.06313908949207044,-0.4246724611663617,-0.21673739747379955,-0.3672283246439161,-0.09747107014242956,-0.09984434614350524,13.707536691902039,-0.9940993741042345,-5.634517875290589,0.563003835720724,0.9699844732095718,-0.5225094196868245,-0.3994068482186752,-0.3658564795784707,-0.3518324846916472,75.3459494266463,-5.969138131114758,-30.389933823279485,2.5365916939096653,6.134647947393164,-2.6741052684393716,-1.2799699052772566,-1.9196427937163811,-1.865121429853044,44.139344262295076,0.506382692824508,9.395794141359849,-0.9360088387231543,-7.481001224282592,-3.5920526142912514,-9.893479948639843,-3.573300188121463,-3.010413867239981,0.0057498074544405095,-0.0027361362486993668,8.229533758393909E-5,1.5841020354150307E-5,-2.3310642411675443E-4,1.7285333592478898E-4,-1.226876257731031E-4,1.6463446747299342E-5,-1.5999531126266033E-4,30.73317263800058,-0.30654720084198733,-4.7987643265251,0.8812012949057625,-0.7009571230813276,-0.9577236436318722,-1.9629535489338044,-0.5888688487928913,-0.5805137715927184,50.373693100531234,-2.4498056992044868,-10.993530343858508,1.2328921748788848,0.59610836649776,-1.1406725761492225,-1.740908872241074,-0.7960869918625086,-0.7882902120045981,0.03742784197796281,9.283197706707706E-4,0.007224460129765324,-4.1813966551040025E-4,-0.003055197562347926,-0.001654483950181676,-0.002891561611369418,-8.122589178535797E-4,-8.758275977500459E-4,0.22471371626068917,-0.016568322901737244,-0.05030819531509455,0.003728502223316053,0.00697830556265879,-0.003988621524326904,-0.0031449358127454744,-0.0030488039964872557,-0.0030862498657162033,1.2351794987974802,-0.09948563551857931,-0.27133869485070966,0.016798620489467984,0.04413415789491485,-0.02041301731633108,-0.0100785031911595,-0.015997023280969844,-0.016360714296956527,0.7235958075786078,0.008439711547075133,0.08389101911928436,-0.006198734031279168,-0.05382015269268051,-0.027420248964055354,-0.07790141691842396,-0.029777501567678857,-0.026407139186315622,-0.47586571730959104,0.014312711901401733,0.002755052317780915,-0.0405416052561428,0.030062456403004652,-0.021337692913238837,0.0028633040110908085,-0.027826203317312444,-0.009974473005203231,-0.15614282270980323,0.02867264324725738,-0.022807834756852167,-0.031162537461156152,-0.06387083989196336,-0.0191606917947929,-0.018888833197615657,-0.048632640340968994,-0.21823951485785686,0.024474921312963707,0.011833723711860894,-0.022644211808587708,-0.03455988165820454,-0.015803625719356146,-0.0156488469176044,0.024802920008515514,0.19302368899652358,-0.011171888183042914,-0.08162900666692992,-0.04420463117151723,-0.07725696857093563,-0.021701997094351062,-0.023400430039907872,-0.07373080369743172,-0.22387683383212922,0.016592232487449222,0.031054203894537953,-0.017749791115108104,-0.013995299731045572,-0.013567502897555015,-0.013734141008712888,-0.08054346401914411,-0.21967551689035789,0.013600145165801754,0.035730966987293784,-0.016526356967715504,-0.008159545394796072,-0.012951172923889916,-0.013245616781111282,0.01166357164964404,0.1159362979174957,-0.008566569853440962,-0.07437875140927176,-0.03789442763054782,-0.10765874553517386,-0.041152120086660374,-0.03649432308719794,1.5502878800760085,1.0343732200930857,1.043623470359123,1.2334640126783203,1.0351618388375459,0.9887140267429919,0.8517408103863372,0.8998176384149366,1.23970833494681,1.2472783694163994,0.9451024940731265,1.0327906361261794,1.0282946988766286,1.056485272987795,0.9797747464931713,0.9803591593245959,1.4088455214011528,1.3580211213002111,0.9437474234981315,0.9613233232118044,1.018150928261999,1.0193721872756896,1.0035194490293942,0.998495712291689,0.7390395565416583,0.7440274525250744,1.0038042515178263,1.3211694091724906,1.0648430290789352,1.1248630184501636,0.812191464001323,0.8467376160712855,1.477449804974465,1.382197491553075,0.9496639733603364,0.9414185310842236,1.0148075206705542,0.9994141245758349,1.0016471241845761,0.9964012602856236,1.4892614603459697,1.380872601504112,0.9523932487035752,0.9403944775881378,1.0144358608292732,0.9946804505898387,0.9982815355041188,0.993540442976053,0.6154750851129681,0.573130830790998,0.8769638497912402,1.3063599259867873,1.2724276510238366,1.3802922963320394,0.8377824203033117,0.8644871231002299,323.98419607192704,162.2420980359634,258.46938387064233,324.44071781105725,14.106118165698142,162.2420980359634,0.4999999999997726,0.04802170356694291,0.002087900155084474,-6.9830350890307535,350.69060352453926,15.247417544545184,13.477780035593238,324.0064940458515,162.2525126020244,258.4825268700571,324.4616746685534,14.107029333415365,162.2525126020244,0.4985311581972951,0.04789762483899229,0.0020825054277822737,-6.988985531724807,349.73535666576294,15.205885072424476,13.471506512730798,343.97541863362403,171.5887148387539,270.48731099824954,343.246820021518,14.92377478354426,171.5887148387539,-0.7979889561161997,0.06307100988050596,0.0027422178208915634,-6.356036306666281,210.99280908745544,9.173600395106758,12.309195321304497,324.0298967515352,162.26344317598648,258.49632163917545,324.4836698649783,14.107985646303408,162.26344317598648,0.4969896004377574,0.04776739928809093,0.002076843447308301,-6.995247359489209,348.7458496885295,15.162863029936066,13.464989894819189,365.5537902432135,181.69460085726757,284.01275952797016,363.5774268039853,15.80771420886893,181.69460085726757,-2.1645885286783084,0.18240225568350776,0.007930532855804685,-3.913543919884693,222.98993765076807,9.695214680468178,12.436391289939463,326.32222022921206,163.33424430048427,259.85058495764696,326.6383783077723,14.201668622077056,163.33424430048427,0.34626837175648006,0.03501416670731844,0.0015223550742312366,-7.7096058335381965,289.3833872574287,12.5818864024969,13.035830539465866,340.2421130728086,170.25184210196386,273.2879774158072,340.9952619477516,14.82588095425007,170.25184210196386,0.9422524565382275,0.004411121311990007,1.9178788313000032E-4,-12.474340618997964,185.73581845485197,8.075470367602259,12.01594826635834,0,11.889999999999993,15.995925211933638,-0.315706432014117,0.2615282605878087,4.272628908950626,7.95929760833566,22.0,60.0,57.0,57.0,19.0,3.0,3.0,0.0,0.0,3.0,44.41586599999999,3.6049775253316882,3.566132838974345,3.4594659718249146,3.343880845496727,3.227093501098808,3.123450378703864,2.9164931416450974,2.7282032308709736,1.9389548578909115,1.8977882849189582,1.8106817117929426,1.7580241677108486,1.68974016339699,1.5578966349651484,1.4155675540178148,1.2632700152867637,3.62171465272827,3.537462185608861,3.4502537586692097,3.3407799777584994,3.252149781455246,3.127597747687427,2.9117190512552185,2.742177496829474,1.8884565517108842,1.844967533712852,1.770971403415785,1.7078150764855158,1.6270831216606851,1.5000865128323677,1.3591820332202367,1.2127749155450158,3.7209315511937,3.6715858288524763,3.592955441822037,3.497745700441633,3.3996951128757495,3.28197012031115,3.10548532845426,2.941530351188558,1.7374898112921853,1.6710902117049102,1.5831016061978227,1.4921796708245054,1.422777850755874,1.2849831423434301,1.1009103437459238,0.939701578275729,3.6372289067750168,3.550938133142411,3.4600944944241383,3.3493123320000504,3.2743040751133905,3.1424831161503177,2.9262062445250905,2.7594641183215955,1.8583483050880663,1.8169626077734446,1.7509607208281812,1.6743768040687814,1.5867962914730203,1.4664793047283564,1.3246335264104534,1.175905660364308,3.768016916149265,3.714596171064259,3.6378991106669543,3.5542114859845984,3.4665553690067656,3.3405178880933457,3.1736752062799645,3.0168913459756372,1.6932338738410075,1.6217779759288988,1.5357158893065297,1.4391873399711925,1.3593732269646037,1.2277853008136261,1.0336003427059854,0.8709167237322879,4.948657612514843,3.7343474915046553,3.54679044091181,3.4704207935871847,3.427922216291748,3.332111374053241,3.106708730644482,2.9433270899574393,1.8249272850698988,1.7705572904893805,1.650788112930207,1.5606627593586635,1.5118685888499872,1.3482547407997034,1.1984567205236674,0.9787204709100037,0,0,1,4,0,3,13,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4505237851453038,0.08333333333333333,0.08838834764831845,0.09196278254943947,17.012379111734035,11.308060412490448,7.985822843611274,5.3509536313038994,3.561043048445064,2.4528242655872448,1.5016827563099293,0.9993500601776564,0.7396686570319145,0.5140027460222931,0.3629919474368761,0.25480731577637616,0.1780521524222532,0.12909601397827605,0.08833427978293702,0.06245937876110352,15.5253925942979,9.764350206547164,6.201205485777606,3.7987085707910224,2.3688311250149146,1.4832747910413908,0.8926119385950768,0.5547830658597601,0.6750170693173,0.44383410029759834,0.2818729766262548,0.18089088432338202,0.11844155625074573,0.07806709426533635,0.052506584623239816,0.03467394161623501,32.72432648076527,59.530225782957125,56.48235294117639,57.24000000000006,37.13301437125754,467.33127784431144,0.5364643685371356,0.9759053407042152,0.9259402121504325,0.9383606557377059,0.6087379405124187,7.661168489251008,6.605480000000008,100.06800000000007,176.85375677481733,280.8364292949742,353.70751354963465,15.37858754563629,176.85375677481733,0.07213907591663576,0.0031364815615928594,-6.047066650296598,220.77165582722196,9.598767644661825,12.413396552374584,697,0.0,0.0,2.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,15.0,4.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,14.0,0.0,4.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.355698360633404,9.144396076866897,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1524836243738579,0.0,0.0,4.98665275198635,1.5789455502510157,0.0,1.1524836243738579,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.263511637920217,0.0,15.40306059124615,0.0,9.174458883033218,0.0,0.0,0.0,0.0,-0.030062806166321288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.298982079386715,5.056716281246688,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.056716281246688,-0.030062806166321288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2800094640868983,0.0,0.0,0.22463719693273843,0.31849773242630386,0.0,0.2800094640868983,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.01946702415298,0.0,0.5685482296683595,0.0,2.277834463277562,0.0,0.0,0.0,0.0,-0.030062806166321288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.298982079386715,5.056716281246688,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.298982079386715,2.3110283432698777,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.29599081085584167,0.0,0.0,0.5620916259065609,0.5232948965666768,0.0,0.29599081085584167,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2440446137672367,0.0,1.347325264051699,0.0,2.3110283432698777,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.298982079386715,5.056716281246688,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,45.16666666666667,1.9637681159420293,0.5620916259065609,11.298982079386715,0.08032433860103283,-0.030062806166321288,11.839199575480931,1.696729472832988,4.298982079386715,14.587337763173675,1.696729472832988,4.298982079386715,14.587337763173675,11.16666,0.48551,0.0,0.01449,0.47596,0.76667,0.42958,0.46513,0.76667,0.04638,0.01083,-0.03555,0.0,0.63327,0.08102,0.0,0.1194,0.04478,0.0,15.25,0.66304,11.75,0.51087,3.5,0.15217,-8.25,-0.3587,0.0,0.0,26.56702,1.15509,33.91846,7.35144,0.31963,9.1647,0.39847,11.30805,2.14335,0.09319,0.10595,0.00461,0.10595,0.00461,0.0,22.02,2,2,2,2,0,0,0.7619047619047619,1.1166404295430468,2.254377515961971,3.6547850828615926,4.471400452175118,4.875581141225175,5.053527911262444,68.11506620212586,137.51702847368023,222.94189005455715,272.75542758268216,297.4104496147357,308.26520258700907,0.18828020294722864,0.3801175785822881,0.6162446378654581,0.753936685722883,0.8220868441340708,0.8520910004318428,4.81409690801984,3.676359821600916,2.275952254701294,1.4593368853877688,1.0551561963377116,0.8772094263004426,0.18681414352922138,0.3771577615260739,0.6114461978755015,0.7480660951807907,0.8156855967304846,0.8454561231764126,9.36991920704198,19.829511516130328,25.300652439244534,27.70128498518311,29.18982593889483,29.008765968823248,85.48229631719803,54.28651314208274,37.828007095278316,28.763823130292685,24.24894077114655,23.738969336141427,23.0,20.045454545454547,19.954648526077097,23,3,18,3.55,3.0558999999999976,0.047619047619047616,4.304039093853334,0.24253562503633297,0.0,29.770586248136542,2.9648823054630955,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.468,0.454,0.758,0.352,10.722999999999999,22.0,21.0,20.0,19.0,17.0,16.0,15.0,14.0,13.0,202.0,3.258096538021482,3.367295829986474,3.4011973816621555,3.4657359027997265,3.5263605246161616,3.5263605246161616,3.5553480614894135,3.58351893845611,3.6109179126442243,3.6375861597263857,5.84354441703136,1.702970297029703,0.47619047619047616,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.0,0.7727272727272727,19.0,0.8636363636363636,2,11.0,21.0,0.9090909090909091,1.5,0.666666666666667,0.375,0.24000000000000007,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.06818181818181818,0.030303030303030318,0.017857142857142856,0.012000000000000004,0.00584795321637427,0.004801920768307323,0.00390625,0.0032921810699588472,0.0028571428571428576,0.0025429116338207248,0.17110325839566864,176.85375677481733,280.8364292949742,353.70751354963465,15.37858754563629,176.85375677481733,0.07213907591663576,0.0031364815615928594,-6.047066650296598,220.77165582722196,9.598767644661825,12.413396552374584,26.3,381.44321314272446,5.523561956057013,4.48863636973214,5.1647859739235145,5.860786223465865,6.54965074223381,7.25063551189868,7.944846711001996,8.648396877031582,9.345482965918476,10.050743086817882,110.30396446202397,3.8066624897703196,0.0,4.890349128221754,0.0,6.102558594613569,0.0,7.3758821482150125,0.0,8.685246776412487,9.006509131694346,322.28718045600107,5.2833964009180505,44.64990992523806,1.9413004315320896,5.406957395297754,5.406957395297754,0.0,1956.0,21.0,8.967000000000002,88.0,1.2354961671423956,2.14676012261952,2.9042892386286168,3.701287508080156,5.031814726537681,6.043936662451568,7.365389349396077,8.47806143141249,9.770860454325573,10.921485518480797,89.76061065365165,92.14325562268888,94.98991832757696,131.1545301806177,166.75905645977255,189.32436804471635,219.76409413851326,249.90760469172824,278.28389089433045,310.35701995904395,300.8867571621559,356.41547441606195,382.1630756088477,532.2170227181025,690.3308985080009,816.6961819128084,956.349128712452,1093.1877713598658,1220.047901316685,1367.44170008713,9.190471525655875,15.726424678331032,20.90766741194195,26.98080028817282,36.35518025673036,43.67684765135182,52.76119930505494,60.78261172431549,69.99803834072043,77.85201197325631,2.1857869745434217,2.832703831800829,3.14003927997314,4.306073602587879,5.6713952743999085,6.779957682289643,8.034584628212027,9.20332544001484,10.321088100578432,11.623635144518177,176.7064408088199,330.10521137746684,473.5019257184241,592.3701904643251,810.315138094128,972.5436860911032,1192.5738224403335,1372.8914097177428,1592.7919257000754,1774.1783010250774,2.89387757935453,4.6046286490644865,5.394381318329183,7.383738197445982,9.963516637585927,11.74911023775579,13.255777087185503,15.356938871907818,17.961267150504025,19.28724212254276,0.46565420375124095,0.6184185868057741,0.6941186989479798,0.9503648829798573,1.2473644392978858,1.4884199733308272,1.757115825952409,2.0169364000218177,2.270194673829571,2.5437540292090257,800.2270370460908,1267.9515991420878,26.810260179817995,208.87590524477315,-330.96174687497734,-23.4612887267185,591.3511318013177,1598.9133460170651,50.271548906536495,0.7930083280001312,1.2565136280978295,0.02656840948154743,0.20699167199986893,-0.32797619846755033,-0.023249648517976493,807.5114575839103,1279.4936893766867,27.05431243103792,210.77729055616825,-333.97447255726377,-23.674855484067113,0.16500538984961352,0.19919298136570296,1.3595696125061882,2.842067768129257,953.7593534707489,55.34358882011506,0.9451556560775911,0.05484434392240908,1547.6490146684657,39.34017049617942,11.56709116679325,1927.5824270811715,43.90424156139326,12.445269896770938,2743.886876737138,52.382123637144936,13.999807610854717,6.182297127902363,6.182297127902363,20511.37019252815,20404.553432706994,157.36328969962415,1.0052349471981061,130.3440607506386,129.66526990923558,8.873655859863998,14.5182874296523,27.811783909163392,0.9156380560671582,15.265176200174789,17.337329573261254,8.775402810321458,68.36824671165444,33.608483070922134,1.831907197456887,20.475249351298956,14.536535712634533,58.04950693889093,0.6800385586462174,2.405072277845496,40.87324127965826,5.440460722251645,63.2182644532422,0.019014898903627758,1.692674043381607,31.270899408549713,1.7855370879418617,59.24508798303202,0.0010834455063321838,1.0641770227044072,23.351125597755644,2.367582901602332,55.69752579571476,0.0010808813066218207,2.905571254357671,12.406448728864692,3.3114116330695156,41.07875520604916,0.02297616260897079,1.2884568047530407,17.611825104730595,0.7582557282631069,19.56636766965257,0.30291696532243256,0.23416693140823888,3.3512594877142545,0.26677307223178603,17.48656318210844,0.004841710756161943,0.4912727519017854,3.906419307931393,0.15469294659061833,14.820883694807412,2.184605561442756E-4,0.47478872937164224,2.439366961115402,0.10769856408136377,12.073828999491907,8.375720431022819E-5,0.65736198166917,0.6540947142789101,0.13739196573750737,8.64871622618313,8.638461938701302E-5,1.3928824213218298,0.19600048380512236,0.15397587015274639,5.9788053249379765,3.366320520366307E-4,4.13817252817444,17.076238970744445,2.271778549741877,22.13157586616632,2.558558303372328,0.5535303492129828,6.52390688338067,1.2589551454818142,21.95875091555457,0.050044440328339976,0.7028740445544697,9.866657083903558,0.6534598001683081,21.465438350260133,0.0016127717706480847,0.5648293353430001,5.577536208302527,0.37539576541849895,18.126000938263317,2.7510206784035757E-4,0.6739053426461992,2.8482109341980877,0.4838625629679976,14.69731104339433,2.817107484203324E-4,1.5528134668180165,1.1671951979731845,0.5782854293569484,10.442376717597957,0.002135438624924397,14.411356162454789,17.623209503106203,8.61459718433451,64.03576712961707,30.121889770155008,1.7366403617879163,20.25766535954138,13.468689407762719,56.43845498440075,0.6059379474154841,2.4552560279753375,38.5043258856589,5.015645231162801,61.113081303860774,0.017000140086787165,1.5746292285804289,28.995180794399182,1.6564074378449352,56.58595698060452,0.0010177479525576706,1.061982223237498,21.17995325310728,2.19257741563229,52.73425323365255,0.0010172849327323263,2.8105572316867304,11.152605620794992,3.0402736188037656,38.628751819200566,0.020591713634514505,6.095525190940047,16.873570544570534,3.252681087589767,26.028563938922435,5.415976137285865,0.7750277305367539,8.575336404854829,2.388588481845613,25.861207479622657,0.10857529655433686,0.8457078598135325,14.421693024291601,1.14173889770142,26.689712095268863,0.0032951344533430037,0.6743460757113857,8.557126932095171,0.5813559325062829,23.20593432479536,4.1022901897191266E-4,0.7014286621486877,5.061080581123788,0.753996476424408,19.741973691189912,4.180739310354509E-4,1.7087401620673288,2.2778659583038965,0.9349263375943908,14.241998227388807,0.004208293197798754,18.434917222655386,17.52585850810156,10.898920250791233,91.09371468987129,48.97082873308402,2.1992305936045664,25.064292002568337,21.17650499993661,72.98195728765359,0.9916030072724369,3.189896945588868,51.531351501712024,7.6583272139631875,79.16686908961513,0.02745571642581951,2.223830846123655,41.980138763327176,2.293855907877343,75.2075085478082,0.001331800492962044,1.240538798530325,32.67496117528409,3.0592369429421664,72.06135221143062,0.0013194318305146302,3.4411940796301366,17.784082069666834,4.403971110822171,53.31886480169311,0.032938395170956085,9.213555796856022,17.118648747276414,6.268727299127707,42.56657939555991,13.399577520310617,1.0490101882722378,15.417770250883759,7.906324323738994,47.56856043817217,0.24970389679815075,2.625880704276923,25.213850688135064,2.8902386220223084,47.582675724203554,0.007179735422201569,0.9426948419636589,17.901213850799497,0.8824466240886965,41.43214813380966,5.807231096764844E-4,0.9003678684387297,10.351071409354756,1.2671355849301078,35.5301099241878,5.846389846923818E-4,2.29487686523005,5.025488084067939,1.5268906951860373,25.935243660765686,0.009255934723728881,67.88666126297285,0.865505991808874,0.41109895323766155,0.9815421535876149,0.012513954867396355,0.5567732397442129,0.6512994650623458,0.5245346891413369,69.16326620801938,87.02025607826378,180.3381806813552,0.9723132303814223,1.7326073939478956,63.6108742921056,0.41188321916284065,0.07837229870628581,0.9923518427939965,0.00642552198976605,0.4888200972666318,0.1461147173301868,0.019063675767765582,64.10112980997472,31.21786235286847,97.3723661134682,0.9885277641909946,0.6539984903645841,64.74161261202639,0.557551396247718,0.20760450869257163,0.9883194374831342,0.008511355526617201,0.50638224867428,0.2703980207456167,0.13376886283683787,65.50676851696667,49.65317736913759,122.65379943825964,0.9824791562247013,0.9105491322567346,67.87796122348374,0.856706679114656,0.39762450418442735,0.9818560742074277,0.012392279342824187,0.556621792009582,0.6369707079455607,0.49071321523777867,69.13229240678281,85.48209098989611,177.73684584317695,0.9727841113111415,1.6843057151929213,65.44219031617438,0.6363106906370803,0.2696438761064835,0.9863454423881441,0.009590482021162066,0.5174130053861524,0.35283355342844247,0.22566416306167078,66.34814488291794,59.45922845567098,137.03576641777596,0.9795181635822162,1.0959107218762656,68.34836662934588,0.9082403641139236,0.4369422807116745,0.9806986061287579,0.013031914338885862,0.5643691428265364,0.7167727737499348,0.5925562937948256,69.69354927417147,92.33788520810347,189.15538919389994,0.971047909193137,1.8736982103712965,67.8658119875432,0.8616537647679195,0.399535436702361,0.9817554764451328,0.012464793061280144,0.5564168702043599,0.6433957511859909,0.49544115886968904,69.12700118901348,85.93589044089458,178.42645839905308,0.9726332146676994,1.6952537802600398 +UMLCN0189,L,2-ethoxyethyl acetate,CCOCCOC(C)=O,Esters,Ethers,C6H12O3,NREL (2014),"Blend (20%, method?)",PubChem,,40,0,0.14059999999999923,0.019768359999999784,32.750099999999996,20.96751599999999,0,0,21,9,12,0,6,0,3,0,0,0.0,0.0,0.0,0.0,0.0,1645.6814969999987,1538.8973639999997,1756.5077719999986,1317.6425379999985,1095.0518569999995,986.3959720000003,613.8611270000001,465.5387979999997,127.119888,3563.2786745602148,4161.037612073321,4725.7469709195175,4278.622226700979,3879.370410629078,3218.12727996727,2244.3232552394825,1808.166596040234,1120.9630566850935,165.91981200000004,158.20255200000003,281.3069360000001,286.56328,204.88098800000012,257.5164160000002,176.79875600000008,93.45779200000001,111.43007999999999,23.998366858187982,28.42593172000001,33.490359779641004,31.21752272648998,30.26051655139601,26.499105521583978,17.688191394188,14.106130452,10.953247247094003,3536.1318182384884,2984.5702828998005,5818.591741007442,6021.27944214734,4273.618622320697,5849.577315024085,4043.2946204886885,1875.4866196005,2583.794028511344,103.02777777777777,62.83333333333334,117.25000000000001,108.83333333333334,71.91666666666666,95.0,53.166666666666664,45.5,39.0,78.3657855714285,76.94486819999999,50.185936342857104,37.64692965714281,40.557476185185166,29.011646235294126,26.68961421739131,38.79489983333331,8.4746592,169.67993688381975,208.05188060366604,135.02134202627192,122.24634933431368,143.68038557885473,94.65080235197854,97.57927196693402,150.6805496700195,74.7308704456729,7.900943428571431,7.910127600000001,8.037341028571433,8.187522285714286,7.588184740740745,7.574012235294124,7.6869024347826125,7.788149333333334,7.428672,1.1427793741994277,1.4212965860000004,0.9568674222754573,0.8919292207568567,1.1207598722739263,0.7793854565171758,0.7690517997473043,1.175510871,0.7302164831396002,168.38722943992803,149.22851414499002,166.24547831449834,172.036555489924,158.28217119706284,172.04639161835544,175.79541828211688,156.290551633375,172.25293523408962,4.906084656084656,3.141666666666667,3.3500000000000005,3.1095238095238096,2.66358024691358,2.7941176470588234,2.3115942028985508,3.7916666666666665,2.6,0.4202526619487985,-0.18724311765751936,-0.008547303449917987,0.015941368737272595,-0.09517395844909901,0.09549865584458034,-0.033512352943718376,0.006806482470705371,-0.011480476584280606,813.9671502857142,12.912232489795965,18.044232999999934,-288.37880314285735,-242.50600693877556,177.44264163265302,87.86560987755092,-256.1662173061224,-167.60547048979595,944.4452988065509,-199.07941275264156,-112.56608165314361,139.6063444447528,-479.44583779278094,62.57523396580598,361.62684235899366,-338.7484468688108,-187.61741778909897,2.7214422857142853,-0.07749322448979515,-0.0013125714285684292,-1.0507782857142802,-0.16017665306122578,0.6962462040816306,-0.5739461224489792,-0.30817273469387724,-0.22982448979591977,4.127728290080571,-1.6966184453384434,-0.9977929058355701,2.18995731698657,-2.3191038753653035,-0.14942259865387997,1.863303802019181,-1.2349960413614673,-0.5616172050172665,23.50920401588056,-10.687179695524183,-6.300348242921279,14.188538578615146,-12.964595971651022,-1.2495084717967226,10.269817058376335,-6.3389574656329,-2.6552644051886842,40.740740740740776,-1.845679012345678,8.941358024691354,-16.4104938271605,-6.444444444444446,8.697530864197526,-2.6141975308642036,-5.879629629629628,-9.509259259259261,0.02001203152137136,-0.009362155882875967,-2.442086699976568E-4,4.554676782077884E-4,-0.003524961424040704,0.0028087839954288336,-0.0014570588236399295,5.67206872558781E-4,-7.653651056187071E-4,38.760340489795915,0.6456116244897983,0.5155495142857124,-8.23939437551021,-8.981703960695391,5.2189012244897945,3.8202439077196053,-21.3471847755102,-11.173698032653062,44.973585657454805,-9.953970637632079,-3.2161737615183887,3.988752698421509,-17.75725325158448,1.8404480578178228,15.722906189521463,-28.229037239067566,-12.507827852606598,0.12959248979591834,-0.0038746612244897572,-3.750204081624084E-5,-0.03002223673469372,-0.005932468631897251,0.020477829531812666,-0.024954179236912143,-0.02568106122448977,-0.015321632653061319,0.19655849000383674,-0.08483092226692217,-0.028508368738159148,0.06257020905675914,-0.08589273612464086,-0.0043947823133494105,0.08101320878344265,-0.10291633678012228,-0.0374411470011511,1.1194859055181219,-0.5343589847762091,-0.18000994979775084,0.4053868165318613,-0.48017022117226005,-0.03675024917049184,0.4465137851467972,-0.5282464554694083,-0.17701762701257895,1.9400352733686084,-0.09228395061728391,0.2554673721340387,-0.46887125220458575,-0.23868312757201654,0.25580973129992723,-0.11366076221148712,-0.489969135802469,-0.6339506172839507,-0.46782636100077507,-0.012203092411525543,0.02275969222421936,-0.17614210832499977,0.14035476570328512,-0.07280914094523083,0.028343292981177163,-0.03824524785508928,0.01665650033852934,0.013300954216886625,-0.21257280693081942,-0.2317240727815568,0.1346453916178504,0.09856063851465202,-0.5507481231009846,-0.28827657062493195,-0.2213292645475803,-0.07151250482927142,0.0886910091804151,-0.3948373915932372,0.04092286685424094,0.3496031272506563,-0.6276803778572708,-0.27811497948759406,-0.029898809958752673,-2.893843684560647E-4,-0.23166648609014767,-0.04577787371196954,0.1580171008679674,-0.19255883790958775,-0.19816782025665367,-0.11822932545851812,-0.4315810640652882,-0.1450375851869979,0.31832870233963334,-0.436983088967382,-0.022358649139315356,0.4121582780874095,-0.5235914092447159,-0.19048348916610147,-0.47732533490798745,-0.16079697735402787,0.36211873194083644,-0.42892029172089224,-0.03282779085412696,0.3988561025608814,-0.471865213189017,-0.15812403366583827,-0.04756818181818175,0.131681818181818,-0.24168181818181808,-0.12303030303030296,0.1318582887700533,-0.05858695652173922,-0.2525568181818179,-0.32677272727272705,1.4476138920661714,1.3006914036776005,1.3882194004934485,0.8757604800994372,0.5766169886267482,1.1719803005153118,0.8482331580305257,0.43580580989037926,0.9412620813150363,1.0111651708333986,1.2860439145710898,1.1076198823782963,0.7737661234234234,0.8580715089354675,1.4680080327327327,1.14712761770822,1.5214075064550252,1.0208428766784805,0.747234545337347,1.5185394729684027,0.8264921491163394,0.4536304623105209,1.766788844992593,1.1301916324793235,0.8096647911905539,1.1731149281347455,1.6408034899141715,0.6952381023482815,0.6914006843726513,1.2204142538521683,1.001270544778357,0.8637155424308622,1.9192410818637877,1.1043014388894274,0.4865783890326051,1.6509504726758328,0.8296982634041712,0.30293093594902865,1.7849568259569686,0.9841391486101685,1.9864108863659804,1.1351199679372965,0.4662667294673785,1.6407809658251191,0.8230648065333632,0.3050630729647597,1.7473672370223927,0.9302067227763976,0.6340909090909085,0.647727272727272,1.4248051948051934,1.0681818181818172,0.7708556149732613,0.7363636363636357,2.0676136363636344,1.8654545454545437,41.667960495632954,21.208980247816474,33.858952038380366,42.25129382896628,4.694588203218476,21.208980250449194,0.7499999999999929,0.11554984346597452,0.012838871496219392,-1.9422479672542519,36.3591431085702,4.039904789841134,3.2341011319445117,41.69426472425849,21.22103073077729,33.87908409621338,42.275884408822115,4.697320489869124,21.221030733377066,0.7477967372960919,0.1155259901186309,0.012836221124292323,-1.9424337764957675,36.37249463840919,4.041388293156576,3.2344315624796214,64.99472600341404,31.898871284619982,51.79147955302219,64.06373888794533,7.118193209771702,31.898871284620025,-1.1969834341740828,0.10114571794568311,0.011238413105075902,-2.0620737449730306,53.741135095490876,5.971237232832319,3.5857608524546354,41.72187149506298,21.23367794785988,33.90021340790938,42.301692695573806,4.700188077285979,21.233677950425527,0.7454844006567853,0.11550098238700579,0.012833442487445088,-1.9426286191871331,36.38651581683947,4.042946201871052,3.2347784352769424,89.64425738596711,43.19868729647482,70.81690760923192,87.11890410250908,9.67987823361212,43.19868729647482,-3.2468827930174626,0.09346654367437623,0.010385171519375137,-2.1331365555468316,122.35289831314309,13.594766479238121,4.326218530482432,44.42260705632254,22.471004806978723,35.968874618422575,44.82658682337191,4.980731869263546,22.471004807684402,0.5194025576349048,0.11318052926142524,0.012575614362380583,-1.9608940178983878,37.80221961735703,4.200246624150782,3.2691310388437396,35.48171265087917,18.280735903256417,29.537865443270828,36.42042517292502,4.046713908102781,18.280735966957895,1.6896825396825363,0.15773562030744864,0.01752618003416096,-1.6621514429944833,29.723020108424166,3.3025577898249074,3.052729650068045,0,11.988698473967846,16.006141315089042,-0.37859136141848837,0.3321426045471785,3.62887747228627,6.070473503168581,8.0,20.0,19.0,19.0,7.0,1.0,1.0,0.0,0.0,1.0,17.908483999999998,3.4949776426241383,3.267151455462254,2.900624649626419,2.2452471438215014,2.034289669221602,1.6617309502125313,0.9925218770991078,0.7064088150046618,1.7096002448394916,1.5959850795730972,1.4698645708978106,0.8968923798943307,0.7545629160351738,0.460344738915821,0.08392307051869097,0.08392307051869106,3.3486063257458247,3.171210002021913,2.9146833410750634,2.146530273799877,1.9291965887800258,1.6780507402107614,0.605372342990378,0.4975909539616272,1.7271220710576072,1.587644845602564,1.4027911639054915,0.862032918084116,0.6813263525664282,0.5313563946540162,0.2709139018929367,0.27091390189293685,3.5815812412419317,3.398086338783055,3.1181629899597803,2.5226805153578478,2.315410988796979,2.077432190231227,1.2276214386425788,1.1350344035958735,1.4649407676212087,1.3217870495630004,1.1301364192615118,0.4291596157239973,0.24152371040063905,0.0768820633397173,0.943918426802621,0.9439184268026212,3.319846177560317,3.160149721908759,2.9379201243045605,2.1370926048766163,1.9311378515960644,1.7212183163252037,0.45959992019999135,0.4399787360881669,1.7432830378309294,1.5853075399601426,1.3579541152098922,0.8446537050534748,0.6516534287186456,0.48698683566742734,0.39927724550898175,0.39927724550898186,3.594790891593498,3.432534187047151,3.199012588584549,2.6015425909189984,2.4026097929638732,2.218115449468669,1.2089363534141224,1.2085154084748235,1.436708694871523,1.2771008883957384,1.052610050701312,0.3440109233202294,0.14209735073261484,0.052852979951800265,1.207644822962087,1.2076448229620877,4.861512163779647,3.5943117737552766,3.2115595574901317,2.851873531751861,2.6372932928273576,2.0432214514536944,1.5829292916891635,1.2344309671690354,1.5032714234714366,1.330976917318024,1.1723585871566362,0.5357477197718087,0.3994341820883807,0.1377715539884805,0.5901639344262285,0.5901639344262289,0,0,1,0,0,5,0,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.08333333333333333,0.0,0.0,0.0,0.2886751345948129,0.20412414523193154,0.14433756729740646,0.05892556509887897,0.041666666666666664,0.017010345435994292,7.112884175122364,4.2700556100296625,3.243182156491986,1.635027805014831,0.9793625530579064,0.5675139025074155,0.3061862178478973,0.20412414523193154,0.7903204639024849,0.5337569512537078,0.40539776956149826,0.2725046341691385,0.19587251061158129,0.14187847562685388,0.10206207261596577,0.10206207261596577,5.846065214951231,2.9813804754348494,1.5369667613852105,0.7371202508749224,0.38865853834558456,0.1470653597509794,0.07095369570699617,0.04149091315755669,0.6495628016612479,0.3726725594293562,0.1921208451731513,0.1228533751458204,0.07773170766911691,0.03676633993774485,0.023651231902332055,0.020745456578778344,11.395364135965808,21.31900946831755,20.400000000000006,20.76,12.232045508982033,162.63309341317367,0.5426363874269432,1.0151909270627404,0.9714285714285718,0.9885714285714287,0.582478357570573,7.744433019674936,0.5860000000000001,33.12599999999998,26.27222476218092,41.81111967960283,52.544449524361845,5.838272169373537,26.272224762194256,0.06822673905855597,0.007580748784283997,-2.4164268503977295,44.11417305852316,4.901574784280351,3.4081030038301736,87,0.0,0.0,3.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.61578656462585,-0.254904572940287,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1797268282312925,0.5402777777777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.2774929138321998,0.0,1.528291761148904,0.0,0.0,0.0,0.0,0.0,0.0,-0.254904572940287,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.129119897959184,9.486666666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.58,-0.254904572940287,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.36352217970521544,0.5402777777777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3808985260770976,0.0,0.3642592592592593,0.0,0.0,0.0,0.0,0.0,0.0,-0.254904572940287,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.129119897959184,4.58,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.129119897959184,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6670138888888889,0.5402777777777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8965943877551021,0.0,0.6679213907785336,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.129119897959184,4.906666666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.166666666666664,2.685185185185185,0.6670138888888889,10.129119897959184,0.22694444444444428,-0.254904572940287,2.1884551124338625,1.9215712396069538,3.1291198979591837,11.231573129251702,1.9215712396069538,3.1291198979591837,11.231573129251702,3.99999,0.44444,0.0,0.05556,0.58095,0.95556,0.42414,0.58095,0.95556,0.15681,0.0,-0.15681,0.0,0.46511,0.24918,0.0,0.33333,0.125,0.0,6.75,0.75,5.25,0.58333,1.5,0.16667,-3.75,-0.41667,0.0,0.0,5.96626,0.66292,9.8423,3.87604,0.43067,2.6285,0.29206,4.27005,1.64155,0.18239,0.14395,0.01599,0.14395,0.01599,0.0,8.03,3,3,3,3,0,0,0.8333333333333334,1.3787834934861756,2.117344207977935,3.1056721842714325,3.5585186130489057,3.558518613048906,3.653756708287001,28.954453363209687,44.464228367536634,65.21911586970009,74.72889087402702,74.72889087402703,76.72889087402702,0.3139079808612512,0.4820562824073894,0.7070691585642862,0.8101688176255806,0.8101688176255807,0.8318516984538618,3.013533929292585,2.2749732148008257,1.2866452385073281,0.833798809729855,0.8337988097298545,0.7385607144917596,0.3139079808612512,0.4820562824073894,0.7070691585642862,0.8101688176255806,0.8101688176255807,0.8318516984538618,13.076372916623269,22.843642899993334,25.2817143572296,25.73810432380335,25.738104323803345,26.880961466660487,33.75130125375643,21.539695539243496,19.421143820532443,18.261288195735847,18.261288195735844,16.894249668433698,9.0,6.125,8.0,9,3,2,1.79,1.0871000000000004,0.14285714285714285,1.9441612972396658,0.8164965809277259,0.0,1.6509636244473134,0.9654893846056297,0.0,0.0,0.0,0.0,0.0,0.6324555320336759,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.635,0.6320000000000001,0.7430000000000001,0.094,3.7179999999999995,8.0,6.0,5.0,4.0,3.0,2.0,0.0,0.0,0.0,45.0,2.302585092994046,2.3978952727983707,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,0.0,0.0,0.0,3.9889840465642745,1.1777777777777778,0.42857142857142855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.625,7.0,0.875,0,4.0,7.0,0.75,1.5,0.44444444444444464,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0,0.0,0.0,0.0,0.1875,0.05555555555555558,0.041666666666666664,0.03200000000000001,0.027777777777777783,0.027210884353741496,0.0,0.0,0.0,0.0,0.37171088435374156,26.27222476218092,41.81111967960283,52.544449524361845,5.838272169373537,26.272224762194256,0.06822673905855597,0.007580748784283997,-2.4164268503977295,44.11417305852316,4.901574784280351,3.4081030038301736,35.53,136.06658785688336,4.169925001442312,3.4965075614664802,4.110873864173311,4.795790545596741,5.43372200355424,6.124683390894205,6.771935555839602,7.463363045520021,8.11522197256233,8.805824812903607,72.11792275251054,2.833213344056216,0.0,3.8918202981106265,0.0,5.081404364984463,0.0,6.329720905522696,0.0,7.6093665379542115,7.940939762327791,132.078644244,6.289459249714286,16.66375611131339,1.851528456812599,8.077630375785127,8.077630375785127,0.0,114.0,6.0,0.474,32.0,1.2331499999999997,2.0941211668724202,2.8357127530170456,3.725951141268357,4.694560237450132,5.716822620142046,7.112094121924574,7.7867631960541654,8.920680675915783,0.0,105.81582961054997,114.99564531853692,121.48135289525958,175.53601644795802,154.9586105073133,172.70147930584702,285.85626005914054,68.02099738625479,9.063982490293695,0.0,275.27856668643943,299.28917944184354,375.47742345194564,589.6376890369919,482.11900952785595,611.8470707208784,1102.3833665607983,603.0181214815641,277.2881582801044,0.0,9.857946406999998,16.981525104212494,23.33444964055879,28.362011733776974,35.81640815065714,44.48139737457518,55.08955568897514,57.71556105754913,59.93327197663585,0.0,1.830958049218,2.0765893650129037,2.682239028953576,4.4896099915162955,3.8497750504931036,4.681380217327328,8.587165511776972,5.883921284497986,3.966249748549257,0.0,182.9013596350761,345.57582528189107,485.1590930703965,578.9828244845443,801.0240211743903,997.870529140482,1104.8808462532204,1331.4684777364955,1649.5913250484368,0.0,4.018929166666666,7.3979771749999985,9.080806379673287,9.943109107929914,13.568975249876885,13.948354151219013,26.34869593782888,20.00282544122954,8.920680675915783,0.0,0.45042937500000013,0.5591090437458138,0.701855824060506,1.0661074845855434,0.9886528235845136,1.200133256061083,2.0304416697999996,1.4184284845447264,0.9134777012137764,0.0,423.3231305363765,423.1999379354502,17.867973101857977,140.97402886639725,-140.9330035691093,-24.641791561117657,282.34910166997923,564.1329415045595,42.509764662975634,0.7501776740900172,0.7499593625162772,0.031664120231915796,0.24982232590998282,-0.2497496243260667,-0.04366811200537923,238.88004007116683,238.81052283640466,10.082846465663623,79.55124403887258,-79.52809358014935,-13.905292980533934,0.2584687175580906,0.37866312725280393,1.463128670094384,7.947731315520645,487.66707142225334,76.63008798052046,0.864202598394041,0.13579740160595924,719.2628192857239,26.81907566053916,8.959749554899055,835.5072522671757,28.905142315290124,9.418536127644458,1183.1725770345033,34.397275721116394,10.576680005256643,2.3389290360462707,2.3389290360462707,1018.0319526693501,957.731307685589,77.03004123844028,1.0629619649058784,13.216038006757834,12.433218161223735,4.480376059452471,5.32722643500653,9.527335235753666,0.788423178926125,3.3600328905164116,4.110033044321992,6.281008233590389,10.821547526827331,5.196020557021117,2.7719541760090936,5.876682395549657,9.602428936558749,0.5844057740218305,2.341104898102841,2.7500594891888093,6.271442054861561,3.355696159343636,4.117054623395019,2.45430235548716,1.1898823946536705,0.1393411231503483,2.06779842338144,3.9661671573472826E-10,1.6347038111492611E-41,1.2995202224953705E-94,1.9925210308829552E-169,5.8924877825632705E-266,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2984920370275851,4.515159554803878,0.6350119856915781,3.68391422778562,0.32234715722118107,3.153242308523472,1.622377004819348,1.3881712060271714,0.049911516969381446,0.07686626021158635,1.9649202731982538,0.5151198269116116,2.5776438452048334,0.1929399860885054,0.16115301752811606,0.008482017654922127,0.011690905799352037,0.01456367337000334,2.7934039583985752E-12,1.151335260394761E-43,9.152627182676531E-97,1.4033488539559044E-171,4.150127325353729E-268,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9161505572061979,3.761600225279731,1.2252359569319975,3.537779273633297,0.709421439993717,2.403351819153621,1.8031572861644074,1.7559734998791718,0.15861753195019782,0.32590316824600374,1.3603844440688104,1.0385715203729833,2.2018293992744544,0.7165368657707086,0.5121289740663938,0.08745172508957916,0.037741665010365806,0.1517647051666243,2.9109422972285714E-11,1.1997801097465112E-42,9.537743195613954E-96,1.4623977045874181E-170,4.324752649517265E-267,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.176712137275583,4.513712410915913,7.420659752162316,11.348510607102547,5.625455988062666,3.240106378047852,5.8644120196598095,9.606082803374894,0.5520586197222744,2.128086805522108,3.1472373582750017,7.1550955452421094,3.6100277913427696,3.7945538740821685,2.272549931864619,1.0601842474954528,0.13152456803463966,1.8423711675361425,3.533783532137596E-10,1.4564916652745132E-41,1.1578491222758678E-94,1.775300366079725E-169,5.2501005286098675E-266,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3426555045875663,3.4752479311731523,1.3734015885020507,3.879958373875154,0.9165502491425533,2.2431776878091236,2.1567442696533288,2.2574948643002686,0.23339488099031078,0.5598927787805951,1.2038057904830062,1.2195306337520924,2.1278907297057805,1.1543126210238355,0.7878184887913732,0.18981634372791667,0.05562628944930931,0.32965321942766124,6.322955648983028E-11,2.606082720939453E-42,2.0717252717332475E-95,3.1765232296374728E-170,9.393940656863633E-267,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0577493554224215,4.365786274361455,8.947913566638448,13.768077561546047,7.583644265989892,3.0776765640530237,7.379362373469086,13.423800586358924,0.7058924625804311,3.219384830463888,3.3352938949754862,9.06893549801392,3.809021865318008,5.485380563577068,3.1745266949681357,1.735239740900085,0.16828446609825568,3.0156896655536283,5.78428205236331E-10,2.3840618765258534E-41,1.895228113555015E-94,2.9059046632823367E-169,8.593639645598624E-266,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.093645085284187,5.133661200319843,6.650330197553778,14.746904810654875,4.3275143365036985,4.622707947168146,6.134089021790606,8.5790779166597,0.4098687714812155,0.9533431780812857,5.266603952495049,6.501775797171828,6.914743781610956,1.9245112124237402,1.4269341475747406,0.4145910666114947,0.09704948353743863,0.7202006871008724,1.3813901198393114E-10,5.6935666198587535E-42,4.526144069750067E-95,6.93982062892854E-170,2.052315013760279E-266,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.338932067625933,0.7702711792053805,0.39522629999999914,0.8890470468663427,0.07332822556154273,0.5733826215552247,0.45464883805175094,0.4761727969450244,10.504429546831313,11.188933211442288,24.536427185053952,0.8335705702995142,1.504204256552,7.387394756451956,0.5598240389621378,0.06330367450116901,0.9222113519057518,0.06988608309441018,0.36730844533061274,0.22240942283306656,0.012216048469040617,8.010522469915262,4.638729321779119,12.911053074171457,0.8833170278586276,0.6019339166327199,8.458645969032279,0.5864687931177865,0.197318686222685,0.9151968489988459,0.06345393736332956,0.47304187667778563,0.26470241239514813,0.1186886905089015,9.24243344837275,6.745502054469856,16.96678060264649,0.8727952734982688,0.8564329795818353,9.082685669770887,0.7778621453204098,0.3674790400327971,0.888019341210528,0.07605202414292761,0.5433337953026891,0.465905787414735,0.41165941665202227,10.228026855124096,10.68862200564617,23.512916706912414,0.832029011815792,1.4208989993694463,8.970434517166163,0.6104210914473964,0.2709197112059,0.9105399002674933,0.0619605169252462,0.529709326074287,0.28663898846651253,0.22374540025058107,9.85177531981946,8.071385063316981,19.406646940564773,0.8658098504012399,1.0400937147913805,9.387159214825056,0.7993921420320826,0.41555539283546733,0.8854050837676413,0.07539936739981042,0.5792624098761745,0.4894781049461325,0.5264180272198138,10.602106749692606,11.737097663072635,25.457540937058415,0.8281076256514619,1.5951585420421208,9.227870560287036,0.7969270606792476,0.3742122226993863,0.8873797312450852,0.07663489819318504,0.5611285273634573,0.4893396208454162,0.4268829852179786,10.399009843665668,11.105341561791422,24.256285549369345,0.8310695968676276,1.4773511334268523 +UMLCN0190,L,methyl linoleate,CCCCCC=CCC=CCCCCCCCC(=O)OC,Esters,Olefins,C19H34O2,NREL (2014),IQT,PubChem,,43.9,0,-0.6975000000000035,0.4865062500000048,80.1353,57.71496199999996,0,0,55,21,34,0,19,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3287.5004769999973,3440.6230160000027,3873.774356000003,3704.272303,3386.930673,3148.905415999999,2951.132622999999,2764.450853999999,2581.833340999999,9536.449997817632,12009.020792563706,15596.645768348371,16283.591916617102,15418.494449772657,14383.241423957645,13345.359334571582,12391.13011712511,11561.235877402363,398.40101199999975,400.2899120000002,730.8944000000012,950.8173640000025,913.8288840000026,869.5597280000023,799.956364000002,730.7521680000016,688.4218280000011,69.39234676486596,89.28982653999994,126.0396345352818,138.48493297614797,131.5108437899028,123.99730130644967,114.53115954220472,105.73394918311077,98.7151904434128,9067.195506139467,7821.700661013602,15565.942877748526,21726.302462078693,20770.88425211511,20030.799831157812,18366.927024094988,16671.259112720814,15715.261809443617,149.02777777777777,126.25,211.16666666666666,242.8333333333333,238.83333333333331,213.58333333333331,200.58333333333331,185.83333333333334,176.41666666666669,59.7727359454545,63.71524103703709,38.737743560000034,27.85167145112782,26.66874545669291,25.810700131147534,26.34939841964285,27.102459352941164,26.894097302083324,173.38999996032058,222.38927393636493,155.96645768348372,122.4330219294519,121.40546810844612,117.89542150784955,119.15499405867483,121.48166781495206,120.42954038960795,7.243654763636359,7.412776148148152,7.308944000000012,7.149002736842124,7.195503023622068,7.12753875409838,7.142467535714304,7.164236941176486,7.1710607083333455,1.261679032088472,1.653515306296295,1.260396345352818,1.0412400975650224,1.0355184550386047,1.0163713221840136,1.022599638769685,1.0366073449324584,1.0282832337855499,164.85810011162667,144.84630853728893,155.65942877748526,163.35565760961424,163.55026970169376,164.18688386194927,163.99041985799096,163.44371679138052,163.70064384837102,2.7095959595959593,2.337962962962963,2.1116666666666664,1.8258145363408518,1.8805774278215222,1.7506830601092895,1.7909226190476188,1.8218954248366015,1.8376736111111114,0.3454149729736075,-0.15478308532270021,-0.0053175333025965435,0.016049417090501755,-0.03529174422894008,0.0054689227807130526,8.01484934900292E-4,-1.033257988256233E-4,-0.01841448727456109,1710.811723527272,-17.766006954045274,-497.395014740493,40.738110924957496,-249.8111868902488,17.062160503138784,-5.970201091902155,-76.82340117785198,-72.12004784760389,2771.1958619074794,-145.72947212440337,-987.6723554427854,10.198473424529176,-221.50404557112216,48.9495971814391,16.15101990468927,-99.40295472418364,-93.2755101729503,2.242610181818178,0.05259451239668862,0.6752934876033008,-0.006229421487599886,-0.36839871074380126,-0.05689487603305353,-0.08007666115702164,-0.11739844628099004,-0.12099791735537067,12.364060062657902,-0.9904492110219361,-4.077722504355438,-0.18483672483530494,-0.40014040052493377,0.2339524056188932,0.10779036853831575,-0.37097789817551463,-0.35559611287690573,68.05260310282881,-5.954401726090891,-21.17241503473882,-1.4200464507158355,-1.2825377559149782,1.2681783727381006,0.610044782099461,-1.934991592919726,-1.8749729245497129,43.548484848484804,1.3114876033057832,8.726997245179065,1.4332598714416893,-9.226602387511473,-2.5201744719926458,-3.5391368227731768,-4.230826446280984,-3.689173553719001,0.006280272235883773,-0.0028663534319018557,-5.317533302596543E-5,1.2067230895114102E-4,-2.7788774983417386E-4,4.4827235907484034E-5,7.156115490181179E-6,-1.0129980277021893E-6,-1.9181757577667801E-4,31.105667700495857,-0.3290001287786162,-4.97395014740493,0.30630158590193607,-1.9670172196082583,0.13985377461589169,-0.05330536689198352,-0.7531705997828625,-0.7512504984125404,50.38537930740872,-2.6986939282296922,-9.876723554427853,0.07668025131224944,-1.744126343079702,0.40122620640523854,0.14420553486329707,-0.974538771805722,-0.971619897634899,0.04077473057851232,9.7397245179053E-4,0.006752934876033008,-4.683775554586381E-5,-0.002900777249951191,-4.663514428938814E-4,-7.149701889019789E-4,-0.0011509651596175493,-0.001260394972451778,0.2248010920483255,-0.01834165205596178,-0.04077722504355438,-0.0013897498107917664,-0.003150711815156959,0.0019176426690073211,9.624140048063906E-4,-0.003637038217407006,-0.0037041261758011014,1.2373200564150693,-0.1102666986313128,-0.2117241503473882,-0.01067704098282583,-0.010098722487519514,0.010394904694574596,0.00544682841160233,-0.01897050581293849,-0.01953096796405951,0.7917906336088146,0.024286807468625615,0.08726997245179065,0.010776390010839769,-0.07265041250009034,-0.02065716780321841,-0.03159943591761765,-0.04147869064981357,-0.038428891184572926,-0.4564059206739939,-0.008467042674063712,0.0192145028780205,-0.04424772356943359,0.007137785469131953,0.0011394594408333247,-1.6129842619149422E-4,-0.03054287594105943,-0.01057685473742046,-0.15990494707579095,0.00984713103898597,-0.0632366177941553,0.004496086564110702,-0.0017136866311708776,-0.024213291514422502,-0.024151563169967406,-0.05356105214103,-0.19602360228685564,0.001521875043242441,-0.034615723193002615,0.007963147482869934,0.0028620511911496703,-0.01934169763533813,-0.019283766659905464,0.02388666799195968,0.1656156835427799,-0.0011486956475574264,-0.07114154302909993,-0.011437266078212707,-0.01753463919339194,-0.028227412990537104,-0.03091117843255566,-0.08159058254049262,-0.18139246865752992,-0.006182131048068983,-0.01401555386785955,0.008530397479541983,0.004281180291595294,-0.016178917034020242,-0.016477349562896364,-0.08911736139701183,-0.1711151041718535,-0.008629166663442598,-0.008161770622856382,0.008401144587191222,0.004402117611657906,-0.01533193106713424,-0.015784895640217185,0.030673269470152066,0.11021849558137929,0.013610150907852062,-0.09175457427295533,-0.026089179293606185,-0.03990882763236803,-0.052385932453838775,-0.04853415733073546,1.5154358104097456,1.0640516404882538,0.8609981229454551,0.9116350027314754,0.7638649708467163,0.8316155456151267,0.8862027230099958,0.9430512747198511,1.2169535316881483,1.2387108982224713,0.9455497238126717,1.041935823031148,0.9347798756409691,0.950004450710478,0.9869462129225983,0.9889221766316303,1.3996986260076012,1.3252308548625624,0.9885587966299733,1.017282783586868,0.967066138156772,0.9750743368439178,1.0061570429417965,1.0004969899334133,0.7312318535317134,0.774347719491801,0.7567980209527215,1.030654208558587,0.7296294175072107,0.7845774089404087,0.8530988279451992,0.8974946989530719,1.4751908960325841,1.3307922551223135,0.9967417852189291,0.9972092615405078,0.9650385447548208,0.9727106392336641,1.0034339063209023,0.9974679718259762,1.4882016069885362,1.32383007181251,0.9956367638816583,0.9911542771011264,0.9606565860393066,0.9689649230093668,1.000167130267052,0.9948960749732246,0.5893813930832933,0.5752209310416817,0.8052989442501955,1.2456927418899733,0.7504354739907677,0.818822566776346,0.8869424535522937,0.9235395936260534,272.66001157248337,136.58000578624166,217.7599285095206,273.1123925248642,13.005352024993535,136.58000578624166,0.49999999999994316,0.018779062582704453,8.942410753668787E-4,-8.347526716560758,188.73466641585046,8.98736506742145,11.004718509324265,272.67252687262055,136.58552901540887,217.76625533552732,273.12357887289414,13.005884708233054,136.58552901540887,0.49853115819720983,0.01870499543112142,8.90714068148639E-4,-8.35582577642779,188.7164579162598,8.986497996012371,11.004515898460474,283.98972237642147,141.59586671015256,223.54975807945465,283.26773236850676,13.488939636595559,141.59586671015256,-0.7979889561163418,0.04779239104542249,0.0022758281450201184,-6.385866554142319,179.0085825105778,8.52421821478942,10.893610878523386,272.6856625370953,136.59132606876648,217.77289593776004,273.13531979463414,13.006443799744481,136.59132606876648,0.49698960043764373,0.01862725870667381,8.870123193654196E-4,-8.36457142337864,188.6973705369557,8.985589073188367,11.00430348707779,296.4415724727805,147.13849197205107,230.05708310480253,294.48313523254774,14.02300643964513,147.13849197205107,-2.164588528678337,0.12069091334937199,0.005747186349970094,-4.4404971169663625,179.22810228804002,8.534671537525716,10.896184549004008,273.97382668457965,137.16004752816815,218.42493460388891,274.287117116169,13.061291291246143,137.16004752816815,0.3462683717566222,0.01101262761004368,5.244108385735085E-4,-9.468296670087796,186.9384970313,8.901833191966666,10.984637306741096,292.7961282598203,146.4601798244761,234.63660207083873,293.4764003686637,13.975066684222082,146.4601798244761,0.9523809523807358,0.04658839934868331,0.0022184952070801573,-6.439447790699436,194.83569267704152,9.277890127478168,11.071528863610402,0,11.99615713390471,15.998264214428769,-0.34960728983171324,0.2612572568493959,4.036848019264185,7.958833160192536,20.0,54.0,51.0,51.0,17.0,3.0,3.0,0.0,0.0,3.0,40.04303799999999,3.60322377332796,3.5521976139865803,3.450770251651979,3.3215374355193497,3.1722039976112923,2.9565824458425882,2.7624016130912694,2.62642267555545,1.938830535862404,1.8974641709241453,1.8070843053859622,1.6981375061549624,1.5678730863692372,1.457367699309421,1.375566351736786,1.2380976124704963,3.6216066550672474,3.53455588423133,3.4427772276361965,3.3082230022893055,3.1628373318234884,2.9490751209907717,2.7818656008880778,2.6316625033640926,1.8879667179017185,1.8433451650061592,1.7598103700922634,1.653672487857928,1.530271507344368,1.414380755688854,1.2969294868549481,1.1586639755796104,3.7200378371392513,3.664316397064373,3.580376180874855,3.463714086773973,3.3244427208126086,3.1503814832359915,2.993286703998263,2.858983220699318,1.7373782600131848,1.6699098998597317,1.5781088937084935,1.451469815005909,1.30664010599657,1.1370106513717915,1.0080025404507569,0.8757656792513354,3.6371626375225916,3.5493824147273902,3.455042952938437,3.318198692259137,3.1691528660448878,2.958396057673959,2.803357063622203,2.658351613450289,1.8570401723279342,1.8127404416571733,1.735408495675003,1.6313476438752,1.5070376450189047,1.3763218667279649,1.245553121501611,1.110047340408047,3.767547138147122,3.7110773165498765,3.6265641757201923,3.511463548420578,3.376601624526735,3.2210457568010034,3.080770413887923,2.94501419230479,1.6930945601493217,1.6196969624690118,1.5287993342356703,1.4009385964364032,1.2571717669711189,1.0726528658557755,0.9261254962004443,0.788390454802445,4.915469750478901,3.724415549125802,3.5376787800445824,3.4279509399133348,3.339806151081931,3.300424720374447,3.082478433667023,2.9013875247414465,1.8328783588719115,1.7788440054962769,1.6571277534582096,1.5269516061311104,1.3598780090593185,1.2132833811260086,1.0408964332303896,0.9616042779301148,0,0,1,4,0,1,12,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.49279927982674443,0.348461712529338,0.24639963991337221,0.10059223176554563,0.07112944921610614,0.050296115882772816,15.598165549360939,10.308060412490448,7.25184260888705,4.9974002407106255,3.0682437686183195,2.044575975123381,1.3573451890125228,0.8972879875616906,0.7427697880648066,0.5154030206245224,0.3625921304443525,0.26302106530055924,0.1804849275657835,0.12778599844521132,0.09048967926750152,0.06409199911154932,14.111179031924804,8.676816581229666,5.5568679184802,3.55920561585902,2.1828268910508415,1.3395460517587583,0.8204431549463737,0.5037520295517771,0.6719609062821336,0.4338408290614833,0.27784339592401,0.18732661136100107,0.1284015818265201,0.0837216282349224,0.054696210329758244,0.035982287825126934,29.64067087319352,53.754552075746616,51.031372549019544,51.72000000000004,33.535905389221604,421.2747676646707,0.5389212886035185,0.9773554922863021,0.9278431372549008,0.9403636363636371,0.6097437343494837,7.659541230266741,5.825280000000007,90.83400000000006,149.0144888509153,237.19247410233254,298.0289777018307,14.191856081039557,149.0144888509153,0.0494560278584254,0.002355048945639305,-6.314009793620244,217.12557653649776,10.339313168404654,11.298999347744642,577,0.0,0.0,2.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,12.0,4.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,12.0,0.0,4.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.524587249522291,9.06877334239434,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1623831135849327,0.0,0.0,3.73070330353538,1.5789455502510157,0.0,1.1623831135849327,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.6950962340995908,0.0,13.878209840650447,0.0,9.15147503744955,0.0,0.0,0.0,0.0,-0.08270169505521019,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.908843190497825,4.615744059024466,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.615744059024466,-0.08270169505521019,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.28185107849001245,0.0,0.0,0.22463719693273843,0.31849773242630386,0.0,0.28185107849001245,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4534354071804267,0.0,0.5704301030604179,0.0,2.2714036611736828,0.0,0.0,0.0,0.0,-0.08270169505521019,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.908843190497825,4.615744059024466,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.908843190497825,2.3068529960476556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2987456110007517,0.0,0.0,0.5232948965666768,0.5232948965666768,0.0,0.2987456110007517,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2416608269191642,0.0,1.347032054175156,0.0,2.3068529960476556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.908843190497825,4.615744059024466,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,42.16666666666667,2.0079365079365084,0.5620916259065609,10.908843190497825,0.22463719693273843,-0.08270169505521019,10.859652665813197,1.749368361721877,3.908843190497825,12.83544622778201,1.749368361721877,3.908843190497825,12.83544622778201,10.16666,0.48413,0.0,0.01587,0.48061,0.77302,0.42923,0.46836,0.77302,0.05138,0.01224,-0.03913,0.0,0.62628,0.08801,0.0,0.13115,0.04918,0.0,14.25,0.67857,10.75,0.5119,3.5,0.16667,-7.25,-0.34524,0.0,0.0,22.94028,1.09239,30.02179,7.08151,0.33721,8.09714,0.38558,10.30805,2.21091,0.10528,0.10595,0.00505,0.10595,0.00505,0.0,20.02,2,2,2,2,0,0,0.7368421052631579,1.1325531797439385,2.2911487067897687,3.6400063042370707,4.3446406224582255,4.6474592048591985,4.917545622536895,62.29042488591662,126.01317887343728,200.20034673303888,238.9552342352024,255.61025626725592,270.46500923952925,0.1958973729128968,0.396299282577065,0.6296107636620152,0.7514911435617063,0.8038695800206197,0.8505863440797508,4.648806533780721,3.4902110067348913,2.141353409287589,1.4367190910664345,1.1339005086654614,0.8638140909877645,0.1941667298703759,0.3927982014448898,0.6240485068975387,0.7448521422326817,0.7967678446830281,0.8430718924229669,9.570082328441988,20.067622301234213,25.024473832981343,27.0846383975261,28.189257451788194,28.86117275770881,77.75568073740928,49.75339021936607,35.65027848892744,28.155928781378847,24.95852241120779,22.78632516256609,21.0,18.05,17.950138504155124,21,3,18,3.3299999999999996,2.774099999999999,0.05263157894736841,4.021051602672681,0.34299717028501764,0.0,27.408212328519852,2.352779665665871,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.468,0.454,0.758,0.352,9.725,20.0,19.0,17.0,16.0,15.0,14.0,13.0,12.0,11.0,178.0,3.1780538303479458,3.295836866004329,3.332204510175204,3.332204510175204,3.4011973816621555,3.4657359027997265,3.4965075614664802,3.5263605246161616,3.5553480614894135,3.58351893845611,5.765191102784844,1.7865168539325842,0.47368421052631576,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,0.75,17.0,0.85,2,10.0,19.0,0.9,1.5,0.666666666666667,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.075,0.03333333333333335,0.013157894736842105,0.009411764705882356,0.006944444444444446,0.005442176870748299,0.004464285714285714,0.0037986704653371313,0.003333333333333334,0.003005259203606311,0.17869496689517875,149.0144888509153,237.19247410233254,298.0289777018307,14.191856081039557,149.0144888509153,0.0494560278584254,0.002355048945639305,-6.314009793620244,217.12557653649776,10.339313168404654,11.298999347744642,26.3,346.8512438909905,5.392317422778761,4.394449154672439,5.0689042022202315,5.75890177387728,6.444131256700441,7.138073034044347,7.826842098158293,8.522578663692576,9.213036733523925,9.909817476230998,105.27673439312053,3.713572066704308,0.0,4.795790545596741,0.0,6.008813185442595,0.0,7.278628942320682,0.0,8.579416534596369,8.903271585724212,294.25588032800096,5.350106915054563,40.654900299695655,1.9359476333188408,5.135510785891027,5.135510785891027,0.0,1506.0,19.0,8.186000000000002,80.0,1.2347308197038602,2.145521930170956,2.9104224932068377,3.6935429764010026,5.015704314255848,6.0527967265345834,7.393796420398828,8.502560069846675,9.793173115167756,10.94469241609938,90.54314800764487,92.77016744270972,96.44368372856758,124.5706393700918,152.40550684805532,187.74696410930855,226.35265128409316,257.4908227013746,286.5719743816116,320.554256153854,300.96449062487375,359.28850669530846,393.9925428534975,526.512945281703,653.9720455406737,804.1700923512144,969.8173388967508,1107.232606697025,1232.606858160856,1383.2276905206509,9.204496986762367,15.751961612108726,20.874917958910387,26.74945751455115,35.9089851321766,43.458989533917496,53.155035756932136,61.19955538629409,70.45947940143124,78.3015387979555,2.18008394721783,2.847700024410266,3.2416078838478564,4.320360294541551,5.473016093893103,6.706978825271442,8.096755910199729,9.259238902948226,10.35324170655552,11.67583884846423,176.6927626060243,330.29647946655206,471.24662870132266,588.5847868539469,813.4183247899858,976.7772466312014,1196.4318551055221,1376.1960508025466,1596.644829270073,1777.121697744216,2.990197871512211,4.6957639154421384,5.454616597234145,7.2373549965537265,9.091392618159416,11.261470398845058,13.814863136850118,16.04263840931419,18.864609355984996,20.25214994069544,0.46595942287744196,0.6205278906641335,0.7089985425486813,0.9448560344572753,1.1961543468643854,1.4679312222841936,1.7780964156523182,2.0389862371788845,2.2904889708081306,2.568640466593799,727.9740384800315,1086.786412614707,29.02612487259387,177.69169571077012,-265.27446079827354,-24.06574055213055,550.2823427692614,1352.0608734129805,53.09186542472442,0.8037999131439649,1.1999862328740238,0.032049489979355646,0.19620008685603516,-0.29290548464361654,-0.02657243135474582,659.3011420318605,984.265214289286,26.287966693451615,160.92928005550314,-240.24998930093741,-21.795516585990658,0.17495384063196862,0.21364667777336221,3.290233288597036,4.69108382628934,832.0376261590961,73.62810803170542,0.9187027782413663,0.08129722175863373,1426.0183277694339,37.762657848321986,11.255765480038537,1766.0338631693508,42.024205681599156,12.087403194458478,2480.7811407033473,49.807440615869304,13.537219906035482,6.19467976532939,6.19467976532939,16066.541179978232,15966.357127722336,144.5004230663053,1.0062746969427325,111.18681066148822,110.49349745084159,8.438337305301616,13.16197473481848,25.25964036838213,0.9191375821107356,13.691270473366815,15.39932677341677,8.661624436355218,58.82775714971847,30.736492700328952,0.8794449397758178,17.77453261499713,14.425475392082513,51.49783808983321,0.6574077727208358,2.1006610088444018,36.619811247804144,4.888451906240333,54.29431083730259,0.025416465157829225,1.1214956761624855,26.3777950796203,2.52998221212575,49.65716443327029,0.01071198264002667,0.748100679332865,19.937265459395082,3.2300731311872966,46.248752283479256,0.093385378140228,1.882774454220601,10.516780230286779,2.4379593583254056,36.80289703793682,0.051908644773925115,1.1566153949805205,15.648859183789508,0.7636839991147882,17.559619191190794,0.27803358151345675,0.13303697018726507,2.8933451741425533,0.17025956042360513,15.624958731101518,0.005248906639930675,0.20907180871303452,3.824745561449364,0.1433657986736052,13.95236393385031,9.014248947965506E-4,0.30611562159438077,2.2688660972323365,0.10717122653142815,11.050497018039398,8.63287029446536E-4,0.5076234994831654,0.5944882988614274,0.1382145110111157,7.582192933122656,0.0022600735504699873,1.1528486561828806,0.1716088326924019,0.11366092090939306,5.240109685916394,0.00394246078975401,3.7118669234705397,15.164205054345802,2.199853315381368,19.989156306805974,2.339494959614631,0.2742361778011619,5.738024989467234,1.2124881663758222,19.836150621507105,0.049839318518079524,0.393912860782487,9.384745192617626,0.5989062766280275,19.42151268564416,0.003721444271388097,0.35446831743555735,5.03027538981306,0.41518091689722386,16.016025236366872,0.0028103164284921265,0.4842493892329763,2.523773357517011,0.5335977806891892,12.677458666095394,0.010970712366316214,1.13256803060019,1.0056235865478318,0.4259217378727912,9.224672067834119,0.012999456116220059,12.925793649018269,15.658108227846718,8.673796039480676,54.936550864955414,27.553462346580165,0.8414382276584881,17.45465690111527,12.89916861151511,49.58214692530552,0.5861644706244769,1.931576727631727,34.64707975407698,4.508666960625781,52.85994850526656,0.02314303741498032,1.0537709629850174,24.573781919359885,2.315722392701249,47.669368594762496,0.010086659350973476,0.7898002853480081,18.129690032015727,2.9573989086787003,43.951984289594705,0.08430800549374275,1.8632899279507775,9.456503554381255,2.238437315333748,34.57259597619976,0.04871255085693452,5.467116369381192,14.980737110409335,3.0966553056660806,23.399925951071644,4.950624819374918,0.37409494955128636,7.580986441409449,2.4818556788010215,23.42174024006973,0.10673536720974094,0.5814842847439441,13.542221821225885,1.0405741641033641,23.683642128478404,0.006305780806538772,0.4238970682374315,7.575694115086741,0.6819931843702829,20.154866117080374,0.004165685956758984,0.48334657377883283,4.426917944083141,0.8750094018494776,16.847087077932876,0.01988683219866607,1.1718198744168147,1.951410243005599,0.6883977821888305,12.624941675758489,0.019434717124853822,16.534198466073597,15.569354553336344,10.89630129367009,77.86011456192082,44.78933500820598,1.0576270603757412,21.647089491312375,20.848812471067443,64.69155157060936,0.9567498148198026,2.8506276097345338,45.522331453621256,6.865811579979256,67.68416503349567,0.034711214945823125,1.477586610206473,35.0436111425889,3.3984304961389094,62.62959104679838,0.013052699152368485,0.874107087922939,27.78882285285923,4.334353072870926,59.51242665890459,0.13096736755417984,2.234899419440779,15.053602535316944,3.242403906512793,47.90286971033881,0.06403714199424426,8.190106279341476,15.276864295760701,6.440880941591418,35.71065633902628,12.057945435709557,0.5391533548520336,13.069356198707414,5.373999786955278,37.005759936216464,0.23812198732468595,0.9959335925912771,23.148701582673773,2.5538052332934473,42.355562395759875,0.01084166225759031,0.6879536249588697,15.483872246345653,1.1202486075621418,35.77702637484537,0.005702300460218782,0.8369737575661285,8.903481262138646,1.5425733847975043,29.719725129817895,0.04111266579059767,1.8924452964529104,4.186229092349139,1.1963229077591377,22.368936299182977,0.027061664946835966,54.97445984586015,0.8676259791661234,0.3997480538828503,0.9774656346416855,0.0154267014307207,0.5592039972535015,0.6403575220703557,0.5090239651250291,56.24183387890913,70.0200346862065,145.3287592444104,0.9661984519625282,1.7085854844488861,54.96265848781285,0.41779441330842026,0.07525844721314925,0.9911090697687646,0.007533839223233919,0.5588782018919779,0.14605881111363736,0.018041640309029477,55.455711348334425,27.13093854808617,84.3148165177236,0.986663604653147,0.7229786533146447,53.10866796324884,0.5597872649726263,0.20095198973225942,0.9858780837957439,0.010391561628063713,0.521885451103586,0.26642488557221083,0.12863232955525483,53.86940721795373,40.5143388494542,100.35795949654802,0.978817125693616,0.9169426662310517,55.55253588565357,0.8589666063688878,0.38607196371646424,0.9780793707827156,0.015123297334435666,0.5710022986159206,0.6259248553322103,0.4747905239895793,56.797574455738925,69.49667276817704,144.7167416370245,0.9671190561740735,1.67171767793771,52.76509666232926,0.637579669718273,0.26176620279321,0.9832413078375388,0.011880858900273397,0.5151886593135103,0.34670647275792565,0.21826930201816433,53.664442534840745,47.62096870505555,110.0917375057633,0.9748619617563083,1.0801644340896004,55.432061181739876,0.9106092611624781,0.42496808303520833,0.9764729099381604,0.01604099245288165,0.5685451888061918,0.704865118248921,0.5752784970192085,56.76763852593756,74.42078492862214,152.63951540148116,0.9647093649072407,1.848688804074321,55.41666285249654,0.8638115729723207,0.387960730272724,0.9779105899112124,0.01524325791948042,0.5681972786818599,0.6315939101432635,0.4794474903714866,56.66843515574159,69.70416866569207,144.9441112235823,0.9668658848668187,1.6792386791966099 +UMLCN0191,L,menthyl acetate,CC1CCC(C(C1)OC(=O)C)C(C)C,Esters,Cyclic,C12H22O2,Marquardt (2015),IQT,PubChem,,19.5,0,1.0353999999999994,1.0720531599999987,54.075300000000006,37.39344599999997,0,0,36,14,22,0,12,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2265.4588619999977,2429.753234000001,3499.437683000002,3538.006274000002,3457.4622889999996,2758.7461209999988,2172.1981859999973,622.482336,51.819264000000004,6198.826752401131,8091.079985621496,11920.596779815845,14100.56101611941,13843.826297510328,12040.709912595694,9360.69067458424,5570.690142897814,1585.2709659774416,264.9958320000002,269.63523200000014,518.4197240000001,727.1142800000008,828.162740000002,791.1478360000019,628.0812240000007,494.387712,342.641664,44.53469190667805,59.19389482000002,91.22317640873486,112.89109556552683,115.06980602850676,101.05112899280877,80.76810458341285,54.19336969782908,22.67525814729899,5960.623189218479,5223.463951918801,10892.183811733887,15658.141075962278,18695.183145935527,17873.956513688387,14469.241399546216,11279.58690611838,9430.800253236699,115.88888888888889,85.6388888888889,158.27777777777786,198.16666666666666,214.80555555555551,222.33333333333337,197.33333333333343,166.5,51.0,62.92941283333327,67.49314538888892,49.99196690000003,36.10210483673472,30.328616570175434,25.782674028037373,24.96779524137928,9.290781134328359,1.016064,172.18963201114252,224.75222182281934,170.29423971165494,143.88327567468787,121.43707278517832,112.52999918313732,107.59414568487632,83.14462899847484,31.083744430930228,7.360995333333339,7.489867555555559,7.4059960571428585,7.419533469387764,7.264585438596509,7.393905009345812,7.219324413793111,7.378921074626866,6.718464,1.2370747751855014,1.6442748561111116,1.303188234410498,1.1519499547502736,1.009384263407954,0.9444030746991474,0.9283690182001477,0.8088562641467026,0.4446129048489998,165.57286636717996,145.09622088663338,155.60262588191267,159.77694975471712,163.99283461346954,167.0463225578354,166.31311953501398,168.3520433749012,184.917652024249,3.2191358024691357,2.3788580246913584,2.2611111111111124,2.022108843537415,1.8842592592592589,2.077881619937695,2.268199233716476,2.485074626865672,1.0,0.2806818927751595,-0.17033034293768173,0.09776331718243682,-0.08057432798244864,0.046826019039496826,-0.08903339984344186,0.10672630550972652,-0.08780511411012173,0.03608659675445421,1173.0902610000007,25.931969999998845,207.21104749999887,-498.94201899999945,75.3148995000009,-344.38748074999813,33.59742575000102,-1118.2504862499982,1032.9795127500033,1775.891243994314,-55.73095709861476,17.561398810185317,-592.6223868476219,-159.69024728949682,-70.52900217990032,-161.45455972097204,-1413.2338708879136,1547.7540032171698,2.1020359999999987,0.03964933333333468,1.0075637777777795,-0.7033551111111069,0.03268999999999892,-1.0150581111111083,0.03463633333333179,-1.0679898888888884,0.6208456666666599,7.905070784596993,-0.5740024686666471,-0.4711593065727046,-1.952607720470094,-1.7086289062065008,0.9274698993961357,-1.4545222167049217,-4.681243213733149,5.962158540659384,43.79715295461918,-3.6777393501810822,-3.0614756365247295,-9.66648158909205,-11.038347420746362,6.780025694913639,-9.187995395736273,-22.93920102880483,30.892638248862017,40.777777777777786,-1.5092592592592586,17.60493827160495,-11.919753086419732,3.435185185185185,-13.51234567901232,6.425925925925925,-30.987654320987616,10.074074074074083,0.00779671924375443,-0.004731398414935604,0.0013966188168919545,-8.221870202290677E-4,4.107545529780423E-4,-8.320878490041295E-4,0.0012267391437899599,-0.0013105240911958469,7.0758032851871E-4,32.58584058333335,0.720332499999968,2.960157821428555,-5.091245091836729,0.6606570131579027,-3.2185745864485806,0.3861773074712761,-16.690305764925345,20.254500250000063,49.330312333175385,-1.5480821416281878,0.2508771258597902,-6.047167212730836,-1.400791642890323,-0.6591495530831806,-1.8557995370226672,-21.09304284907334,30.348117710140585,0.05838988888888885,0.001101370370370408,0.014393768253968278,-0.0071770929705214995,2.867543859649028E-4,-0.009486524402907554,3.9811877394634244E-4,-0.015940147595356544,0.012173444444444311,0.21958529957213868,-0.015944513018517972,-0.006730847236752923,-0.01992456857622545,-0.014987972861460534,0.008667942985010614,-0.016718646169022088,-0.06986930169750968,0.11690506942469381,1.216587582072755,-0.10215942639391895,-0.043735366236067566,-0.09863756723563318,-0.09682760895391546,0.06336472612068822,-0.10560914247972727,-0.34237613475828105,0.6057380048796474,1.1327160493827162,-0.041923868312757184,0.251499118165785,-0.12163013353489523,0.030133203378817412,-0.12628360447675066,0.07386121753937845,-0.46250230329832265,0.19753086419753105,-0.6068447852249772,0.17912903789766668,-0.10545294687732683,0.052682999109795785,-0.10672281801998633,0.15734042812592494,-0.16808660799805553,0.09075359858385537,0.022105690296919816,0.09084184321894044,-0.15624102372982035,0.020274358473839963,-0.09877218229855277,0.011851077049360937,-0.5121950352099224,0.6215736616706955,-0.031381965132766435,0.005085658573685363,-0.12258522046015961,-0.028396164075131333,-0.013361957828916735,-0.03761986189117667,-0.42758786335289317,0.6152022210029879,0.018862347425702846,0.24651131433660428,-0.12291670881886615,0.00491102811499732,-0.1624686154303124,0.006818282780156161,-0.2729949979128978,0.2084854874036389,-0.07261193280964531,-0.030652540265072203,-0.09073726071393856,-0.06825581170809046,0.039474149689893066,-0.07613736530450045,-0.31818751908096676,0.5323902358331045,-0.08397211010477794,-0.035949213094509526,-0.08107724317519328,-0.07958950952708715,0.05208398232433943,-0.0868076775038228,-0.28142333507544065,0.4978992172907307,-0.03701180744777473,0.22203191903464398,-0.10737919145859959,0.026602610067402836,-0.11148743283506052,0.06520717842713519,-0.40831266013257905,0.17438692098092656,1.6120350195331956,0.7968850797725326,1.1501089773190991,0.8907293151059924,1.4296252949225805,0.9090822648570985,1.0400758280775149,0.003643488880302763,1.12346619395764,0.9644733066281932,1.2021599213437308,0.9358092959838575,1.1035744301791413,0.9123753496164217,1.4938661802075996,0.0,1.3840094514020203,1.1403712721936332,1.1759624442274332,1.0074778430343458,0.9257039137575513,0.9713949532347522,1.2938984679446015,0.0,0.6926488308372348,0.6250796846485985,1.2391744412152248,0.8579465629530177,1.4929553479818938,0.828986316342713,1.6447168506394507,0.0,1.500542153057447,1.2098824901450373,1.1630552326867214,1.0472047177806827,0.8641302595381422,1.0004732688896862,1.1705200803805833,0.0,1.520017689605799,1.2191332904758945,1.1605908065552981,1.0558253989353212,0.8584838337660705,1.0060253093696705,1.1411353162940532,0.0,0.6198910081743868,0.39696866485013627,0.9291066562864927,0.579945265070032,1.173046805368102,1.3013052397506957,2.746273740290373,0.0,80.2184317239207,40.35921586196035,54.01392156580822,80.64700315249212,5.760500225178008,40.35921586196035,0.5,0.04661965875860857,0.003329975625614898,-4.292026151051073,108.66143198653725,7.761530856181232,6.563531687489369,80.2365141640488,40.36752266112307,54.02803075877467,80.6638265853608,5.7617018989543425,40.36752266112307,0.49853115819733773,0.04618535170084981,0.0032989536929178436,-4.3051296314902885,108.60652450968074,7.757608893548624,6.56282407767451,96.66059800655103,47.93130452521749,67.69235632789157,96.20460431734185,6.871757451238706,47.93130452521749,-0.7979889561160434,0.24329893423264745,0.017378495302331962,-1.978850173535411,94.3855983179736,6.741828451283829,6.3663439018508114,80.25549338437284,40.37624149240535,54.04284603745304,80.68148447046241,5.762963176461602,40.37624149240535,0.4969896004378498,0.04572965380095301,0.0032664038429252146,-4.319011636579672,108.55973036603939,7.754266454717099,6.562220744507952,114.62966939611972,56.2325404337207,83.28262933705199,113.3927616654464,8.099482976103314,56.2325404337207,-2.1645885286783226,0.41636050040436556,0.02974003574316897,-1.2266853290727686,72.18618033051622,5.156155737894016,5.990948067178627,82.11880256435819,41.2325354680574,55.52148331688839,82.41560402586384,5.886828858990276,41.2325354680574,0.34626837175660086,0.0023244589796818094,1.6603278426298638E-4,-8.489975149504792,191.8140525944573,13.701003756746951,7.359136997353798,90.90830741675148,45.57551896314275,62.47337235602898,91.56750464389816,6.540536045992727,45.57551896314275,0.9535714285713723,0.1859096854044588,0.013279263243175628,-2.355491999747773,89.34292654351545,6.381637610251103,6.289474901861695,0,11.890000000000004,15.995920670931378,-0.31224099469466665,0.2586390194436598,4.096573703221351,9.973008247622628,14.0,36.0,35.0,35.0,13.0,1.0,1.0,0.0,0.0,1.0,26.924553999999993,3.7376523547320373,3.3738931303819233,3.2848885555307974,2.7887856503092547,2.761746306170504,2.3335527931030406,2.1704286976411,2.11171390635497,2.0164774279145465,1.7478170058062337,1.568871785033458,1.4194956084935129,1.3190361959063535,1.249629722584356,1.0262460251937988,0.6537633227576638,3.730095229107998,3.3154120689400273,3.232145872449652,2.8175888590534415,2.7782969898817846,2.405454587841288,2.228153618799813,2.0297822509803662,1.9808831481508886,1.6794711439535583,1.5867921105241969,1.3298035177853398,1.2488517653090372,1.1345406859483516,0.9215845122898643,0.6972607472123546,3.837348114487881,3.4558342098713597,3.4484314542067875,3.015990075942264,2.9700016014495323,2.70423698723352,2.5153063829642295,2.4024051993415227,1.8350833150072043,1.4784520374363843,1.3330921286983468,1.0521545210945207,0.9816168165560206,0.7603185604308912,0.5611295889796147,0.2773037133120236,3.739417760175481,3.3378975693705506,3.2003429030417263,2.849622446465161,2.7990275477405833,2.457539916041695,2.275541096340427,2.0131660556346254,1.9606352492746209,1.6363373435375312,1.6043221490964952,1.2720598454938128,1.2034015160537328,1.0582626705327116,0.8531896782382884,0.7085274503231138,3.8742823438741123,3.5182027122387507,3.462317227181144,3.1092337950315927,3.0474370286858394,2.8389820851496506,2.6403144537076977,2.4720984405425472,1.7972385064365757,1.4164476178154575,1.3107776581570802,0.9640109286877084,0.9068151497983934,0.6313372621875554,0.440216617328038,0.21615040646180442,5.00901704712063,3.7253882778199277,3.3927153632831377,3.1672904545391622,2.917552955104582,2.8256524495528645,2.6822456347737345,2.4152346417625847,1.9659540822934138,1.5715828151834135,1.2165159087318316,1.1674304721285835,1.088974755793083,0.8360917886198879,0.7161481016507275,0.2627282464046003,0,0,1,0,0,4,4,3,0,0.0,0.0,0.0,0.06804138174397717,0.1554376142423653,0.0,0.0,0.0,0.06804138174397717,0.13510286958767426,1.3330061885466304,0.0,0.2041241452319315,0.0,0.9376496096143715,0.0,0.17536647355387364,0.0,2.0020123487827974,3.0067091281562734,3.7535114354967463,1.5944918720053547,2.0680615252892287,2.4083887745886403,10.71517847069432,6.502907755397976,6.215724557383592,3.9338751485492236,3.276320104857772,2.331525095900907,1.8419769445528518,0.4545443486597061,0.7653698907638801,0.4644934110998554,0.32714339775703116,0.1873273880261535,0.12601231172529892,0.08039741710003127,0.0682213683167723,0.037878695721642174,9.747218001245873,5.675661186950376,4.973980236029972,3.2786609783515352,2.4633938679232283,1.7216202417645383,1.2241823421570812,0.28212977805632294,0.696229857231848,0.40540437049645545,0.26178843347526165,0.15612671325483501,0.09474591799704725,0.05936621523325994,0.04534008674655857,0.023510814838026913,19.389704050478308,35.427530954115085,33.67843137254903,34.15999999999999,21.744578443113788,276.3625425149701,0.5386028902910641,0.9840980820587524,0.9355119825708064,0.9488888888888886,0.6040160678642719,7.676737292082502,3.0103000000000018,56.89700000000005,70.50551613325426,102.53056183836996,141.01103226650852,10.072216590464894,70.50551613325426,0.003145306158854111,2.246647256324365E-4,-8.066581664064525,180.32851576229356,12.880608268735255,7.272692385013782,134,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,3.0,0.0,0.0,0.0,4.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.361145124716554,-0.12986111111111076,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.320860260770975,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.192461262282691,0.0,3.52759731670446,0.0,0.0,0.0,2.048657407407407,0.0,0.0,-0.12986111111111076,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.96457105064248,5.396574074074074,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.396574074074074,-0.12986111111111076,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2724546485260771,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5105744520030235,0.0,1.0440740740740742,0.0,0.0,0.0,0.16319444444444398,0.0,0.0,-0.12986111111111076,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.96457105064248,5.396574074074074,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.96457105064248,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.243098072562358,0.0,1.2783843537414967,0.0,0.0,0.0,0.7031018518518517,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.96457105064248,5.396574074074074,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,29.999999999999996,2.142857142857143,0.5559027777777779,10.96457105064248,-0.0905555555555555,-0.12986111111111076,6.128434986772487,1.7965277777777775,3.964571050642479,13.086063869992442,1.7965277777777775,3.964571050642479,13.086063869992442,6.66666,0.47619,0.0,0.02381,0.49815,0.80952,0.43333,0.49815,0.80952,0.06482,0.0,-0.06482,0.0,0.58823,0.12606,0.0,0.35,0.375,0.0,9.25,0.66071,7.75,0.55357,1.5,0.10714,-6.25,-0.44643,0.0,0.0,16.64374,1.18884,20.34985,3.7061,0.26472,5.43027,0.38788,6.50287,1.0726,0.07661,0.41113,0.02937,0.49713,0.03551,0.16666666666666666,14.02,2,2,2,2,0,0,0.9166666666666666,1.1941737342569119,2.048476164872564,3.4392649313368073,3.724394445405985,3.8910611120726517,4.023141320466081,42.99025443324883,73.7451419354123,123.81353752812507,134.07820003461546,140.07820003461546,144.83308753677892,0.23098473071152092,0.39622937746699954,0.6652446467554785,0.7203962232270196,0.7526339571632313,0.778181756861792,3.9757512671854003,3.121448836569748,1.7306600701055048,1.445530556036327,1.2788638893696604,1.146783680976231,0.2292320614934109,0.39322286257288463,0.6601968939828635,0.7149299905396753,0.7469231105407687,0.7722770582821711,10.482859866703901,20.95642873520283,24.04044521498864,24.93848226374066,25.717129489518445,26.691415603128487,51.297888831857236,30.567227012319258,26.564411811525122,24.505681602811176,22.966834379787674,21.05488785204996,12.071428571428571,5.185595567867036,3.5918367346938775,4,3,0,2.56,1.7651999999999994,1.200936955176003,3.4338197865106843,6.85028664016869,0.0,1.6509636244473134,7.274116621114382,0.0,4.3017855158477705,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.48200000000000004,0.48600000000000004,0.552,0.22799999999999998,5.796,19.0,21.0,26.0,29.0,27.0,12.0,9.0,4.0,4.0,179.0,2.772588722239781,3.091042453358316,3.1354942159291497,3.367295829986474,3.4965075614664802,3.4965075614664802,2.70805020110221,2.5649493574615367,1.791759469228055,1.9459101490553132,5.308267697401205,1.1229050279329609,0.5,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.21428571428571427,7.0,0.5,0,3.0,6.0,1.0,4.0,1.5555555555555562,1.1875,0.8533333333333338,0.6875000000000001,0.08,0.0,0.0,0.0,0.0,0.2857142857142857,0.0818713450292398,0.06597222222222222,0.05019607843137258,0.05288461538461539,0.008,0.0,0.0,0.0,0.0,0.5446385467817357,44.28334825024512,60.376017035652744,88.56669650049025,6.326192607177875,44.28334825024512,0.13999938090813183,0.009999955779152274,-2.7525641898543363,116.7332794218216,8.338091387272971,6.663848337088277,26.3,218.69581021072236,4.807354922057604,4.204692619390966,4.990432586778736,5.849324779946859,6.668228248417403,7.532088143541722,8.359603270841466,9.224539091375995,10.05470536427875,10.919858885820327,95.80347299039222,3.367295829986474,0.0,4.653960350157523,0.0,6.12029741895095,0.0,7.682021510826875,0.0,9.298259670014065,9.524201756211266,198.161979944,5.504499442888889,27.101242434393882,1.9358030310281344,5.35234477500912,5.35234477500912,0.0,299.0,18.0,3.9509999999999996,66.0,1.2378051957756728,2.1184256507725974,2.869469637364582,3.5262567768547943,4.081228532013777,4.438027821488841,4.905552712927973,5.425967025170605,0.0,0.0,93.93508878297698,116.62176894791969,109.65877707737586,106.58197840084605,99.8528885386328,104.92695589460514,43.78494181336832,5.513129759462944,0.0,0.0,300.96301254811954,386.128826901457,430.3080350835083,434.94758358797566,451.44339096309625,475.45284623538123,407.5586123842422,168.6593723010581,0.0,0.0,9.319497640296264,15.777913340688343,21.32668450042634,25.628112537837332,29.916668462277812,31.82866920266244,35.67070648499777,36.454164123795806,0.0,0.0,2.1536254020171066,2.901843048627929,3.4153417798629615,3.619597310364059,3.844796479851615,4.155651739733372,4.031791828537959,2.4124549606759906,0.0,0.0,177.7658083970503,326.1369546381606,454.9418788638812,576.1270208188355,681.6029947983596,737.1884030764235,821.8692685109042,1003.3570822555475,0.0,0.0,3.0033458628633385,4.997199995558088,5.871214307410254,6.579852497352816,7.972989854101288,9.362431157581307,11.035017343093028,5.425967025170605,0.0,0.0,0.4678641726238159,0.6459470222032007,0.7692883606340482,0.821726229566129,0.8835781005642375,0.9404591553136576,0.933001739472845,0.55561902337747,0.0,0.0,389.9989809877339,382.72921236983154,12.33425691074808,79.09009410920604,-77.61581670805525,-11.39901366856662,310.9088868785278,460.3450290778868,23.7332705793147,0.8313964270157823,0.8158987976659621,0.02629406133195307,0.16860357298421755,-0.16546072127562444,-0.024300317943262584,182.94426128028516,179.5340922431446,5.785865166270857,37.1002990950174,-36.40873167247526,-5.3471527788052935,0.263502316078451,0.3181131422364426,0.6960905697554504,5.317927158859744,434.75041201442144,34.33866308251851,0.9267971374617449,0.07320286253825507,1082.625057548036,32.90326818946768,10.268161519581914,1295.7398513473645,35.996386642930766,10.90199399972812,2537.8430873369257,50.377009511650506,13.640226715946751,1.4013737836702618,1.4013737836702618,924.2385136713916,649.76877567115,487.3042855401418,1.4224113996809713,1.896635307951252,1.333394338920964,4.588459686248619,4.365764288431856,7.303479703646744,0.6728983108408012,7.1441078244531715,10.688255502637755,15.237843191906066,23.478319324767263,25.752399984481748,19.215597134441115,22.73580031248444,21.54195974187533,20.017584292763374,7.50458818613474,6.586150789815802,7.0619813579503985,6.669252417334533,0.026335743989454583,8.555830631101623E-22,6.664892573464488E-63,1.0050391898292277E-125,2.9233444774771003E-210,1.64003653E-316,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6231010287832466,9.172782178602294,2.2505924534492427,12.371248717362528,3.942939208860086,5.520462531425403,5.202448778170537,5.413534851977974,1.082908114971326,1.391858265627818,0.46547543904119193,0.4324438889385388,0.04699696702579336,1.8548479826734735E-4,6.025941470478054E-24,4.694138335175259E-65,7.078573191283261E-128,2.0589354182966204E-212,1.15509E-318,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9238198206878945,9.03981074914848,3.866522095239605,12.80993332108116,7.017705707648895,6.821850110580352,6.679934961404212,6.6773368054960205,3.6331932825131816,2.1966861582564863,1.2983433501258212,1.5015518624947193,0.48954930805797003,0.0019328946074769246,6.2794956147676E-23,4.891654065220623E-64,7.376419026178893E-127,2.1455694506202403E-211,1.203694E-317,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.821078711695085,10.938728759996103,15.075632096435506,23.489050681290145,24.648603604044517,19.459598180784123,21.79779699291364,21.587124857136857,18.987563586704546,6.986094679237218,6.064106210501807,6.555612886691291,5.942200962922137,0.023464673757918823,7.623091057051473E-22,5.9382992912804E-63,8.954718238721109E-126,2.604647298875662E-210,1.461243E-316,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.8057345218676586,9.023301169483751,5.10449285366619,13.662240244432404,9.35538196153243,7.913202772129845,8.287321232973644,7.945916066730288,5.623577700507065,2.87753802297797,1.993746280745494,2.319822661551961,1.0633052975105444,0.004198505373627951,1.3639903583097798E-22,1.0625326284895737E-63,1.6022567810859423E-126,4.660463551957315E-211,2.614584E-317,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.68615443482103,11.55953241457926,19.83625465213179,27.69795486996381,33.23637861459337,24.460944987230626,29.55326150359996,27.882548910445756,26.712569689121253,9.65138882340993,8.68634178224551,9.050960780446918,9.726396722182601,0.038408207533976745,1.247787488504182E-21,9.720119441310908E-63,1.4657552032020755E-125,4.263423179888325E-210,2.39183913E-316,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.204253311638046,9.845844818207585,12.581533829998886,25.226169013789107,15.753876198676567,20.046655428125433,16.654517747458712,21.684564436463912,12.833288218168956,4.914477821465349,3.584946640379999,4.4881029607419975,2.525756591250476,0.009973299498965053,3.240077872133159E-22,2.5239829864007524E-63,3.806065570950922E-126,1.107065364251683E-210,6.210789E-317,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.958964344223531,2.5843139749142594,0.9653985855059526,0.5272519239408355,0.3441770111743641,0.5129604827651608,0.5010316091393143,0.398604499036049,7.508676904643743,16.548078514831527,33.933948070376815,0.3071434026727995,1.4125965909405243,2.7500914574864024,1.9360423576623604,0.5451697117909768,0.5256990811800932,0.37008794226759884,0.2454954856509093,0.26394094523568173,0.12435484951828972,5.231303526939739,7.879031770557693,16.01297887717215,0.3436805351715381,0.6337912804048808,3.301012223893737,2.1975357708289693,0.6952117993832254,0.5329577403106635,0.3547983525160558,0.35614005553622885,0.3616594443368873,0.20578786627267504,6.193759794105931,11.076747887356373,22.31363834092274,0.33163413924007884,0.9235873661457912,3.8695719563013156,2.5538135058080784,0.9497015745431875,0.5248238542506235,0.34636964043863,0.48976413540705155,0.4897498500761612,0.3850759796915323,7.373087036652581,15.982464410961597,32.740659225486404,0.3067902420338802,1.364589965174745,3.5552969481491745,2.320194549713985,0.7726781575713264,0.5347783122897487,0.34899749404219294,0.4137073185864654,0.40421674015394354,0.2551269031486274,6.648169655434486,12.788844547105377,25.810821335711125,0.3256637094979125,1.0730509618890363,4.028553299240942,2.6316507963429925,1.0004260625318389,0.5258775343661565,0.34352928440945385,0.5311194075087875,0.5194399341143953,0.4280714397571191,7.660630158115772,17.264787257061077,35.53167991976328,0.30411022816341543,1.478630781380302,3.891181361973778,2.575162573452347,0.9467936189151105,0.5249034344027582,0.34737822609865054,0.4954417117461147,0.49796834371379767,0.383431565512915,7.413137554341236,16.14271778564208,33.04312941942836,0.30842249075211314,1.3768416209728274 +UMLCN0192,L,dibutyl ether,CCCCOCCCC,Ethers,,C8H18O,Marquardt (2015),IQT,PubChem,,115.4,0,-1.1802999999999984,1.3931080899999961,34.487300000000005,26.884273999999973,0,0,27,9,18,0,8,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1428.370120999998,1467.8402879999996,1497.1336069999982,1320.698157999997,1123.9414289999977,839.4247720000001,662.9127149999999,478.3487540000002,281.5920250000005,4164.033390715742,5211.819509316955,6407.254994204799,6022.131537868276,5015.333192913155,4184.663675814952,3708.8147330884913,3075.02132130453,2068.2229763493997,194.60819600000008,193.42824000000007,361.33502,432.81939999999975,369.93449999999996,306.7699360000001,231.3604920000002,249.09716000000023,186.21226000000007,30.957436287281972,39.45587758000001,53.04975886218804,52.92048809977208,43.898959240376065,36.61899773298001,33.74585243818802,30.05967843697998,21.038149577583987,4528.323870958982,3823.6586522022008,7881.593608890989,10100.991494337373,8622.036339298777,7154.106697576681,5355.600751393189,6095.657420645581,4616.702265606985,51.75,55.5,90.25,98.0,87.75,69.5,49.25,49.0,37.0,52.902597074074,56.455395692307675,30.553747081632615,22.011635966666617,22.038067235294072,19.986304095238097,20.08826409090909,13.287465388888895,10.429334259259278,154.22345891539786,200.4545965121906,130.76030600417957,100.36885896447126,98.3398665277089,99.63484942416551,112.38832524510579,85.41725892512584,76.6008509759037,7.207710962962966,7.439547692307695,7.374184081632653,7.213656666666663,7.253617647058823,7.304046095238097,7.0109240000000055,6.9193655555555615,6.896750370370373,1.1465717143437768,1.5175337530769235,1.082648140044654,0.8820081349962013,0.8607639066740405,0.8718808984042861,1.0226015890360005,0.8349910676938883,0.7791907250957032,167.71569892440675,147.06379431546927,160.8488491610406,168.34985823895622,169.05953606468188,170.33587375182574,162.29093186039967,169.32381724015502,170.9889728002587,1.9166666666666667,2.1346153846153846,1.8418367346938775,1.6333333333333333,1.7205882352941178,1.6547619047619047,1.4924242424242424,1.3611111111111112,1.3703703703703705,0.18739121396370703,-0.03593393712937955,-0.07443148656151682,0.0063180310177173744,0.028370029124325097,-0.03753628571863091,0.004450135152713745,0.011341183445470767,6.824476031868685E-4,800.2177742962954,-22.997752729766404,-289.9195772784635,1.0250965267487118,0.8287490699586897,-87.12752638683139,-163.95177236214,10.536492938271408,10.3401454814813,1266.518059790474,-164.43822896117933,-468.65761225643917,-11.34326907745557,-11.76856135599925,163.9349742223699,-292.08718964367665,-17.8687006477041,-18.293992926247892,1.1226669629629633,0.057919517146778225,-0.2391947105624117,-0.10499917695473188,-0.11517774485596599,-0.4050203127572003,-0.004657843621400426,0.07178804938271374,0.061609481481479586,5.603020215168077,-1.099761891856055,-1.9877701626877535,-0.16991984431275964,-0.17922137517695802,1.553044445958843,-1.2432909387780866,-0.1563013600987695,-0.1656028909629672,30.804230646545797,-6.59065880440894,-10.69637905339567,-1.1861527241707295,-1.2547821693867727,9.70210170189717,-6.62922327375097,-0.9505392543024231,-1.0191686995184681,7.6666666666666705,-0.43827160493827044,-2.246913580246908,-0.8148148148148113,1.074074074074073,-2.4814814814814774,-0.37037037037037146,0.4444444444444433,0.5833333333333326,0.006940415331989149,-0.0013820745049761365,-0.001519009929826874,1.0530051696195625E-4,5.562750808691195E-4,-8.937210885388311E-4,1.34852580385265E-4,3.150328734852991E-4,2.5275837155069202E-5,29.637695344307236,-0.8845289511448617,-5.916726066907419,0.01708494211247853,0.016249981763895877,-2.074464913972176,-4.968235526125454,0.292680359396428,0.3829683511659741,46.90807628853607,-6.324547267737667,-9.564441066457942,-0.1890544846242595,-0.23075610501959312,3.903213671961188,-8.851126958899293,-0.4963527957695583,-0.6775552935647368,0.04158025788751716,0.0022276737364145473,-0.004881524705355341,-0.0017499862825788646,-0.002258387154038549,-0.00964334077993334,-1.4114677640607353E-4,0.0019941124828531595,0.002281832647462207,0.2075192672284473,-0.04229853430215596,-0.040566738014035784,-0.0028319974052126605,-0.0035141446113129025,0.03697724871330579,-0.037675482993275354,-0.004341704447188042,-0.006133440406035823,1.140897431353548,-0.25348687709265155,-0.2182934500692994,-0.019769212069512158,-0.02460357194876025,0.23100242147374214,-0.2008855537500294,-0.02640386817506731,-0.03774698887105438,0.28395061728395077,-0.016856600189933478,-0.04585537918871241,-0.01358024691358019,0.021060275962236728,-0.05908289241622565,-0.011223344556677922,0.012345679012345647,0.02160493827160491,-0.1991342648625077,-0.21886441331912623,0.015172077163251948,0.08015011411567627,-0.12877054841654373,0.019430044735754416,0.04539106932596345,0.0036418335137048713,-0.029844727832886667,-0.19963516049988328,5.76459873617001E-4,5.482876308402688E-4,-0.06999413719159632,-0.1676323164945329,0.009875273903598094,0.012921664343902304,-0.13482853632356975,-0.20389753371308916,-0.004030318435174515,-0.004919325695647594,0.08320984318248624,-0.18869089630653713,-0.010581393121228095,-0.014444320619695193,0.05357527465175532,-0.11740005842582393,-0.042086951151503786,-0.05431392850299135,-0.23192113925845503,-0.0033945623133916952,0.04795815572495075,0.054877789686514605,-0.20382943168159742,-0.19548420036284123,-0.013646913094074585,-0.01693406428350752,0.17818706285522604,-0.1815517349133676,-0.02092193416627904,-0.029556004548164837,-0.22218200350571177,-0.19133485979569476,-0.01732777331793813,-0.021565104165035102,0.20247431112162592,-0.17607678677276098,-0.0231430691747128,-0.033085348282598695,-0.059364548494983085,-0.1614906832298132,-0.04782608695652151,0.07416879795396408,-0.20807453416149022,-0.039525691699604834,0.043478260869565084,0.07608695652173898,1.242700064018359,1.6605055071414405,1.1912330816477636,1.3373046849062058,1.7959771111731977,0.23608643729941325,0.1764621523143151,0.1785886115051113,1.381496713156823,1.3521773977912697,0.9731590580886769,0.9906351858601768,1.0834920696319574,1.0727930463343078,0.7648617089605713,0.7284397228195916,1.6269767174547367,1.310486542859882,0.9161780569905569,0.8966181615437766,0.7825873552253957,1.2604305246410195,0.8986402814570232,0.8558478871019269,0.9245021313005719,1.6015064366031886,1.2895888520483365,1.4956244480832186,1.9441699992764765,0.14979330963491405,0.10679708186933688,0.10171150654222562,1.7510632099953412,1.3138360258014905,0.9172939061810123,0.8960255583813418,0.6732257787283625,1.2736814854653133,0.9080877257484178,0.8648454530937312,1.7777168300965687,1.3199684993530765,0.9241645250570455,0.906299736049896,0.6592078173496422,1.2584434043015504,0.8972235382520312,0.854498607859077,1.1413043478260863,1.4880212954747107,1.1869565217391296,1.2301790281329916,1.6552795031055891,0.41106719367588906,0.32971014492753603,0.3454106280193235,50.958467125571964,25.604233562785986,40.42777551053926,51.152911570016414,5.683656841112935,25.60423356281463,0.2500000000000071,1.6653345369377348E-16,1.850371707708594E-17,-32.69820191541205,2000020.4212137351,222224.49124597057,13.057801154171063,50.971735367552014,25.610500473325345,40.4391138248418,51.16560859573987,5.685067621748875,25.610500473353806,0.24926557909867242,3.3306690738754696E-16,3.700743415417188E-17,-32.074369452908094,2000020.417009896,222224.4907788773,13.057801152279355,62.74054650218892,31.17077601206546,50.660045413876794,62.430217463699364,6.936690829299929,31.170776012065556,-0.39899447805800037,1.6653345369377348E-16,1.850371707708594E-17,-32.69820191541205,2000018.3932807813,222224.26592008682,13.057800241610089,50.985660648300346,25.617077724259623,40.45101420141614,51.17893438180394,5.686548264644882,25.61707772428789,0.24849480021890002,1.2212453270876722E-15,1.356939252319636E-16,-30.905014767190856,2000020.4126060288,222224.49028955877,13.057801150297635,75.23559396011046,37.07664984788567,61.71889494349812,74.39380953229116,8.265978836921239,37.07664984788567,-1.082294264339133,1.1102230246251565E-16,1.2335811384723961E-17,-33.06312051270939,2000017.6809843518,222224.18677603907,13.057799921079587,52.34806394643665,26.26059906615747,41.6181393950898,52.48272386878644,5.831413763198493,26.260599066171988,0.17313418587828977,1.6653345369377348E-16,1.850371707708594E-17,-32.69820191541205,2000020.0188025155,222224.44653361282,13.057800973087845,50.74494334043622,25.577828813075243,40.127251635426106,51.064387784880644,5.673820864986739,25.57782881310648,0.4107142857142634,1.1102230246251565E-16,1.2335811384723961E-17,-33.06312051270939,2000022.8078517488,222224.75642797208,13.057802228146564,0,11.889999999999999,15.994916640152272,-0.38064228711892684,0.05185029238755296,5.008287210367615,6.581505328277791,8.0,26.0,26.0,26.0,8.0,0.0,0.0,0.0,0.0,0.0,21.593725999999997,3.4654381845999223,3.2931016954843955,2.917444509219905,2.5755313058691884,2.067108400081816,1.759359301384989,1.3321418264779732,1.2206961037970796,1.8466321594477646,1.7886074377691492,1.4519395558492594,1.3202820951383292,0.9327244487507848,0.8377531044420273,0.5893252848782728,0.5663534871113828,3.43975898108557,3.327366954494399,2.8822683776905844,2.629759571142206,2.069163495954093,1.8453826341894926,1.408988447360293,1.3382919388177899,1.8083512840399625,1.7181003808411104,1.4064282273739364,1.2206852820188474,0.8390124807441741,0.7054722719790673,0.4456357205941063,0.412887556233107,3.6102363057879634,3.4768696526685012,3.1280068889546735,2.8629811409495987,2.413164732396214,2.201802999892761,1.8630608366763324,1.8032555484891621,1.5931079309376004,1.5064320677109366,1.1010917008410075,0.9081829248737071,0.42170992093278326,0.26821578998463264,0.07266345607614157,0.11359514777974848,3.4490854269580615,3.3525575515822754,2.89190166612838,2.669494684705045,2.101978711474828,1.9077076166105702,1.4806448946203983,1.4221044732001284,1.7861662381417007,1.6728124380723255,1.3748383259541033,1.1555294161292229,0.7761347570493443,0.6172280454184422,0.3491024343363634,0.30918544444209606,3.659721755422982,3.548797435837997,3.1995288876532233,2.97232868787705,2.535943919193499,2.361009518170997,2.0473625077751616,2.0010162421607545,1.540352218334262,1.4392008584773384,1.0274433128741507,0.8048937202744876,0.2984349100646415,0.11518652435531589,0.25512332778863095,0.30670851090868095,3.65500324197032,3.3992868969490364,3.197268447141684,2.770009804125675,2.3867209293375087,2.0120600148497774,1.6813463356874832,1.5493613985055426,1.6792441942661918,1.613435463893044,1.1538099521698175,1.027298391721479,0.5672132719767427,0.47670182876648476,0.1759423881645366,0.15174396851056296,0,0,0,0,0,4,4,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.949747468305834,4.414213562373095,2.767766952966369,1.7071067811865475,1.0303300858899105,0.6035533905932737,0.33838834764831843,0.17677669529663687,0.7721941631450926,0.5517766952966369,0.39539527899519555,0.2845177968644246,0.2060660171779821,0.15088834764831843,0.11279611588277282,0.08838834764831843,6.650888977583149,3.9915638315627207,2.319479216882342,1.2844570503761732,0.5948613524427102,0.348461712529338,0.19536860360538935,0.10206207261596577,0.7389876641759054,0.4989454789453401,0.3313541738403346,0.21407617506269552,0.11897227048854205,0.0871154281323345,0.06512286786846312,0.051031036307982884,13.591249338489726,26.321194464675887,24.878431372549027,25.239999999999995,15.667229940119753,208.66612215568864,0.5033796051292492,0.974859054247255,0.9214233841684825,0.9348148148148147,0.5802677755599909,7.7283748946551345,2.6032000000000006,40.635000000000005,27.742189319152196,44.32390805791539,55.48437863830439,6.164930959811599,27.74218931915535,1.2212453270876722E-15,1.356939252319636E-16,-30.905014767190856,2000019.3289432311,222224.36988258123,13.057800662654222,96,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.314444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.527222222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.367422052154195,0.0,6.81813350340136,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.314444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.314444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24000000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1837110260770976,0.0,0.9548611111111112,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.314444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.314444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1837110260770976,0.0,1.2421875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.314444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.5,1.8333333333333333,0.45,5.314444444444444,0.07277777777777783,0.9548611111111112,5.173066675170068,0.5451388888888888,1.8144444444444443,4.363732993197279,0.5451388888888888,1.8144444444444443,4.363732993197279,4.33333,0.48148,0.0,0.01852,0.46173,0.78519,0.42414,0.46173,0.78519,0.03759,0.0,-0.03759,0.0,0.61321,0.10108,0.0,0.23077,0.0,0.0,4.5,0.5,4.5,0.5,0.0,0.0,-4.5,-0.5,0.0,0.0,8.21793,0.9131,9.36685,1.14892,0.12766,3.90492,0.43388,4.41421,0.50929,0.05659,-2.1E-4,-2.0E-5,-2.1E-4,-2.0E-5,0.0,8.01,1,1,1,1,0,0,1.0,1.086048612313038,1.5304930567574826,2.698969909410619,2.9952662057069155,2.9952662057069155,2.6430523166577693,29.323312532452025,41.32331253245203,72.87218755408672,80.87218755408672,80.87218755408672,71.36241254975977,0.22840679444442943,0.32187786904760834,0.5676201399470735,0.6299341896825261,0.6299341896825261,0.5558601156084519,3.668838889850431,3.2243944454059865,2.05591759275285,1.7596212964565536,1.7596212964565536,2.1118351855057,0.2310525562367053,0.32560635781597785,0.5741951968863872,0.6372310646059023,0.6372310646059023,0.5622989497040143,9.449442116690685,14.78277545002402,17.58886603707005,17.88748086136635,17.887480861366353,13.660914192776604,33.38680559561979,24.898916687500073,23.445059275925978,22.550377791880393,22.550377791880386,29.89674446431631,9.0,8.0,8.0,9,0,4,2.23,1.294500000000001,0.12499999999999997,3.6513445993096547,0.0,0.0,6.120463943040977,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.296,0.29000000000000004,0.31200000000000006,0.05400000000000002,4.1259999999999994,7.0,6.0,5.0,4.0,3.0,2.0,1.0,0.0,0.0,45.0,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,0.0,3.828641396489095,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.75,8.0,1.0,0,4.0,8.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.0,0.0,0.0,0.0625,0.03174603174603176,0.020833333333333332,0.016000000000000004,0.013888888888888888,0.01360544217687075,0.015625,0.0,0.0,0.0,0.17419869614512473,27.742189319152196,44.32390805791539,55.48437863830439,6.164930959811599,27.74218931915535,1.2212453270876722E-15,1.356939252319636E-16,-30.905014767190856,2000019.3289432311,222224.36988258123,13.057800662654222,9.23,155.71456240829454,4.169925001442312,3.4339872044851463,4.04305126783455,4.672828834461906,5.303304908059076,5.942799375126701,6.580639137284949,7.223295679562314,7.8636512654486515,8.507344855361422,70.57090252762471,2.833213344056216,0.0,3.8066624897703196,0.0,4.919980925828125,0.0,6.09807428216624,0.0,7.311218384419629,7.671360923190644,130.135765196,4.8198431554074075,16.82976753783411,1.8699741708704565,2.926776695296637,2.926776695296637,0.0,120.0,6.0,2.72,30.0,1.2298461538461536,2.1082199177714958,2.8361062818733536,3.5910924906500954,4.840795366370349,5.859202783587408,6.994814967633773,8.081698950911845,9.358596189796346,10.35144022730695,80.75641399407688,71.48982809799823,75.76125335668334,100.59141146039437,113.94853507582238,137.9253841664881,106.75442088626845,95.70632571791656,46.57505043598587,10.517725763118412,269.9070901681903,294.0572932953173,312.06929940392973,409.1200582342286,530.0641714669912,726.4398247347076,643.9023040892916,664.1570216669489,570.4674732552776,321.76152251765984,9.21672636276923,15.606590645184777,20.549522006877627,26.425736998658135,35.6053593459375,41.273400852311,48.53303465723899,55.88996286780474,64.20940800827674,69.54577851531356,1.9826624717899988,2.391105486135132,2.641930152739577,3.4122343236294337,4.49425126066211,6.437247450288868,6.145216518857445,6.610413174719969,6.39651629978703,4.602383908833736,179.08763998870455,335.8338894854928,474.15483881418317,596.1063760953464,817.8860742543537,936.2695951730104,1174.3841429568358,1370.1728243656075,1624.3106371509332,1914.1640219029593,2.729076923076922,3.985578956357862,4.796846946464573,6.74926080232916,8.336148103239285,9.09762279454146,9.785117219206917,11.425694208244145,12.7005885754405,10.35144022730695,0.43439250000000007,0.5420645075553063,0.6075154122816574,0.798162369627563,1.0273855836247177,1.3737601982514298,1.3301661889970027,1.4402632635123032,1.418178402099783,1.0599874792762316,449.7359071468153,305.1558465968308,13.39782121889196,157.89962108700004,-107.13841564443456,-12.69044606080731,291.8362860598153,412.2942622412654,26.08826727969927,0.7401409006712311,0.5022021136318551,0.0220491077238929,0.259859099328769,-0.17632019634508303,-0.020884963882368785,273.27551550486925,185.42353404050243,8.140992173523635,95.94541966711854,-65.10110778424006,-7.711165895681391,0.08299827373279843,0.5609563741538134,1.4046102405886765,5.942849044158385,597.0413905825175,10.594137651297755,0.9825649798949523,0.017435020105047546,567.849212679509,23.82958691793689,8.280902590309328,742.2158621516862,27.24363893006377,9.054060882799009,893.48233342161,29.89117484177579,9.631530921377012,2.96361164478656,2.96361164478656,1321.3460158061575,1294.415535038153,53.64757627920824,1.0208051279044723,24.630115793660952,24.12812702481434,4.6668978356850825,5.518792455631,11.034204581038349,0.9993874873442283,5.02021015356071,6.456705945604522,5.633233054564409,22.48463129098365,6.909162782686574,0.9520596501864685,10.595227585442771,11.838423803899891,8.174381212415154,3.8612027327345753,5.472863937379948,2.3408892804039705,6.147330836424658,1.93187021693535,3.997106753631865,4.604414359843776,2.1618504471359574,1.3121626328668656,2.217781539491529,0.22116018860672648,2.271338052924461,7.556899167958553E-10,6.190753851028235E-41,9.78181350781926E-94,2.9810628037804623E-168,1.7522609294539396E-264,0.0,0.0,0.0,0.0,0.4213116900245546,6.7104931196333695,0.5144300028950181,4.9104006247273455,0.05276751009590084,0.8210661538845035,0.9212774489941252,0.39161092012535886,0.4137260318068248,0.43163598174408746,3.623173492912276,0.036114885017115725,0.20689517204872365,0.02788980510364932,0.06664469491650934,2.0625588175334832,0.08123198352453193,0.11269250977326084,0.015702277810953638,0.018560364023613902,0.015997219623350697,5.3223858731947905E-12,4.36019855615462E-43,6.889411234834245E-96,2.0995869074476195E-170,1.2341317000258767E-266,0.0,0.0,0.0,0.0,1.3600448061291681,6.238042010260693,1.1485010816233563,6.5373555999310335,0.517641574524282,0.8097134589109499,2.159346108065719,1.6092112826528469,0.98147113807904,0.7477181031462785,3.9995869813475786,0.22223566616033538,0.8133723305374492,0.17709474999687919,0.3922603279766466,2.3147784587776017,0.3282494988534636,0.3217530757668094,0.16285885586155652,0.05991516903426467,0.16670336239647474,5.546336437976763E-11,4.543663068588822E-42,7.179297683095515E-95,2.1879314365618693E-169,1.2860603834811838E-265,0.0,0.0,0.0,0.0,4.738668944512945,6.709780699368007,6.292895225345075,21.21009855141009,6.158767169183064,0.9477888469917781,11.122702054779797,10.803522400611003,7.436461657701753,4.849813958114678,5.359221172572077,2.0992051143708172,5.569246205747126,1.7306046504409525,3.587854692655566,4.354479890701955,1.9716187988462235,1.2260752642298267,1.9760158070033593,0.20875712353780315,2.023721313024611,6.73306110769601E-10,5.515850225766322E-41,8.715419728172107E-94,2.656073288477619E-168,1.5612329412394104E-264,0.0,0.0,0.0,0.0,2.004455697516435,6.05852414967434,1.4221940581641532,8.154102891128995,1.1142835080779214,0.8141177082722949,2.8780332343333175,2.761648118436314,1.6779745728472388,0.7403806549548975,4.258323835916871,0.43442604434208426,1.4096612686217451,0.35061338019238486,0.7573200657589712,2.5670864898213916,0.5505764670099744,0.47588949002812936,0.35364667785724097,0.08830398732198806,0.3621019791332842,1.204738388151975E-10,9.86944333934812E-42,1.5594393913022008E-94,4.752479446111857E-169,2.793495004833177E-265,0.0,0.0,0.0,0.0,6.06263080246148,6.6171582376205125,7.784517153230083,29.729721542023878,10.06297347096172,1.0245670290162223,14.403867039479367,16.364002646189082,11.547318949762477,5.63932068648481,5.89409297422784,3.349946549022905,8.531170627152562,2.7732424689750625,5.7038518894673285,5.636906900437404,2.9375627879348323,1.6452761056586331,3.234371752905586,0.26708321149399566,3.3125330862675995,1.1021027227197747E-9,9.028632674940528E-41,1.4265855690935433E-93,4.347599934342689E-168,2.555507885370347E-264,0.0,0.0,0.0,0.0,3.1685747160572535,6.909830572139413,5.577181003198189,13.259278639213207,2.62698833018775,0.7823948063649687,8.680652972113567,5.335013645408138,3.7779990323544297,5.1178071670315335,4.577190841004376,0.9349298666579857,2.6689772607574027,0.7715507406821444,1.6085017093502734,3.4536977061493555,0.9812601181333341,0.913254137400268,0.8399859514135284,0.16750555705362835,0.8601516886814529,2.8617843002919966E-10,2.3444274938805157E-41,3.704355411245164E-94,1.128923191964199E-168,6.635781034618471E-265,0.0,0.0,0.0,0.0,12.04106353010133,0.7667994723541716,0.49091956666666664,0.9054260017799615,0.057659373583155496,0.5880047473612555,0.573534316854316,0.5925753399842141,13.298782569122169,15.520711716556244,33.35219448846286,0.8581390026699421,1.7541144041997856,9.844451613481832,0.3114793724427807,0.10259359850112482,0.9596362062072218,0.03036297957658177,0.39303768605184036,0.09463556512903548,0.02587994899954191,10.258524584425738,4.1082771165857235,14.681388926264939,0.9394543093108326,0.5135532001804177,11.133164894423638,0.5029665684178652,0.26420803299551215,0.9355333852717606,0.04226489240864207,0.5026763116931712,0.24675958764782638,0.17163858501241924,11.900339495837015,8.673969148053047,22.053770519519237,0.9033000779076408,0.9210744843534168,11.843700046083917,0.7479496771011016,0.47533848409751245,0.906383311762932,0.057239638181065484,0.5688869045403706,0.5456831655638548,0.5555572808840905,13.066988207282531,14.843787316856396,32.121557504628605,0.8595749676443979,1.6701273509883159,11.610992581431201,0.5895789901292132,0.33779751452847134,0.9260369113167521,0.0470219839662673,0.5467513096872952,0.339062527918989,0.2805664838653124,12.538369086088887,10.966920033257828,25.817714866182065,0.8890553669751283,1.1663803214715966,12.104756755217306,0.7972116049903688,0.5172433016172806,0.9020467863736721,0.05940822941620934,0.5942418995450228,0.6199305261043729,0.657828432242927,13.419211661824956,16.323509272840305,34.73414598201692,0.8530701795605082,1.8720008578923228,11.972404378348308,0.753963982213329,0.4801419691547748,0.9065532134865938,0.05709032616411994,0.58131816106702,0.5544941862623513,0.566842269905217,13.206510329716412,15.137225246596875,32.677862705288135,0.8598298202298906,1.7026546172345882 +UMLCN0193,L,Tripropylene glycol monomethyl ether,CC(CO)OCC(C)OCC(C)OC,Ethers,Alcohols,C10H22O4,NREL (2014),IQT,UML,,81.3,0,-0.7827999999999999,0.61277584,55.144999999999996,35.47744599999997,0,0,36,14,22,0,10,0,4,0,0,0.0,0.0,0.0,0.0,0.0,2488.866621999998,2481.108489000001,3070.1814269999995,3120.85217,2425.7332470000006,2482.8171719999973,2192.610280999998,1437.2146019999961,1280.797193999997,5784.574502831186,7151.690499433082,9240.29222329934,9933.317083332882,9584.107538931587,8977.893052339254,8141.594525204902,6510.791601889126,4949.088980171448,276.61823200000015,274.42172400000015,506.56693199999984,600.2342720000006,606.8037480000007,623.1310080000004,532.589108,524.5916159999997,389.7972479999999,40.24329990667803,50.02797849600002,66.371844224735,74.39522719043293,78.19822192607388,72.97838719795996,65.73616541928203,57.745679606564096,41.84963387662104,6077.937048643479,5234.927214112051,10505.528242676335,12488.841996850839,13393.351120445574,14266.009275662012,11455.966497062283,12315.557060657717,9151.601194949923,122.83333333333333,97.5,163.74999999999994,216.22222222222223,170.58333333333334,166.1666666666666,181.27777777777777,135.66666666666666,102.58333333333331,69.13518394444439,70.8888139714286,47.97158479687499,41.61136226666667,29.947324037037045,29.557347285714254,31.77696059420287,19.96131391666661,24.165984792452775,160.68262507864404,204.33401426951662,144.3795659890522,132.44422777777177,118.32231529545169,106.87967919451492,117.99412355369424,90.42766113734896,93.37903736172544,7.683839777777782,7.84062068571429,7.9151083124999975,8.003123626666675,7.491404296296305,7.41822628571429,7.718682724637682,7.285994666666663,7.354665056603772,1.1178694418521675,1.429370814171429,1.0370600660114844,0.9919363625391058,0.96541014723548,0.8687903237852377,0.9526980495548121,0.8020233278689458,0.7896157335211518,168.8315846845411,149.56934897463003,164.14887879181774,166.5178932913445,165.3500138326614,169.8334437578811,166.0284999574244,171.04940362024607,172.6717206594325,3.4120370370370368,2.7857142857142856,2.558593749999999,2.882962962962963,2.1059670781893005,1.9781746031746024,2.6272141706924317,1.884259259259259,1.9355345911949682,0.7057850205586191,-0.2207204729278504,-0.29494571516374035,0.3207688657692881,-0.1685952857885037,-0.11781469917291451,0.22640667451125102,-0.11624297246298855,-0.06023340368294125,1306.8593018888885,16.863398663579016,-82.72688858024812,-439.4481337685189,-354.3722424166657,397.0349293703707,-533.1437214537033,92.97794900000123,311.63246916358077,1618.0371342170547,-238.97469380462448,-34.63399143272477,-300.5342709275528,-464.28188260295144,531.0127682025558,-698.1991744015617,58.705914944587235,451.0867960049786,3.8179542222222245,-0.16449482716049244,-1.3817408395061692,0.2782840370370429,-0.7700936666666702,-0.2813994074074108,0.37164040740740795,-0.0768173333333381,-0.12485416049382944,7.032195132152564,-2.0960658412923547,-0.7235160548695361,0.6516121168920126,-1.918560399718411,1.4221792975211416,-1.7978279586798922,-0.1888254035283414,1.4530115530187844,39.58650067195254,-13.292461832026156,-5.6085045764447194,7.259752178283605,-10.486146270793544,5.859954256735146,-7.183299916379992,-1.873327403583727,6.801318264238417,38.80555555555559,-5.667438271604938,-9.2283950617284,4.752314814814815,-10.076388888888896,0.6574074074073997,3.673611111111115,-3.3611111111111236,-0.32947530864197855,0.019605139459961642,-0.006306299226510012,-0.004608526799433443,0.004276918210257175,-0.0020814232813395517,-0.0014025559425346965,0.0032812561523369714,-0.0016144857286526188,-0.0011364793147724764,36.30164727469135,0.4818113903879719,-1.2926076340663768,-5.859308450246919,-4.374965955761305,4.726606302028223,-7.726720600778308,1.291360402777795,5.879857908746807,44.94547595047374,-6.827848394417842,-0.5411561161363245,-4.007123612367371,-5.731875093863598,6.32158057383995,-10.118828614515387,0.8153599297859339,8.511071622735447,0.10605428395061735,-0.004699852204585498,-0.021589700617283894,0.003710453827160572,-0.00950732921810704,-0.0033499929453263194,0.005386092860976926,-0.0010669074074074736,-0.002355738877242065,0.19533875367090456,-0.05988759546549585,-0.011304938357336501,0.008688161558560168,-0.023685930860721124,0.016930705922870732,-0.026055477662027423,-0.0026225750490047415,0.02741531232110914,1.0996250186653485,-0.37978462377217587,-0.08763288400694874,0.09679669571044808,-0.12945859593572276,0.06976136019922793,-0.1041057958895651,-0.0260184361608851,0.12832675970261165,1.077932098765433,-0.1619268077601411,-0.14419367283950624,0.0633641975308642,-0.12439986282578884,0.0078262786596119,0.0532407407407408,-0.04668209876543227,-0.006216515257395821,-0.32166561423288903,-0.2350672796204868,0.21815290929154874,-0.10616722648621363,-0.07154021757402182,0.1673671416129468,-0.08235012721790543,-0.05796843817884782,0.013272438761308758,-0.03560740988653571,-0.16140613140527899,-0.12051700912237744,0.130203631429241,-0.21284765791235033,0.03557305245699142,0.16197220650221306,-0.15191403027841055,-0.012040280021344852,-0.08915521590611022,-0.12752952266385295,0.14064998623678648,-0.22513564269884498,0.018141090121826593,0.18936436744187457,-0.044315533795635416,-0.20357216901616937,0.034986364425300266,-0.08964587628099956,-0.031587530654454236,0.05078618854741297,-0.010060012360314117,-0.022212576328731623,-0.3065832782285025,-0.05787350510274274,0.0444774085801606,-0.12125566696624783,0.08667356376909524,-0.13338611602858993,-0.01342577957379161,0.14034753373770814,-0.3453764850068009,-0.07969342504894232,0.08802700381256645,-0.11772976581857966,0.06344104491538363,-0.09467390621570412,-0.023661189695796975,0.11670047291063468,-0.15021985888127606,-0.1337687902648532,0.05878310665712235,-0.11540602879185555,0.0072604560793536254,0.04939155332856121,-0.04330708661417335,-0.005767074998987099,1.3043603282189749,1.5379139265063217,1.2212189336813326,0.9335247602325084,0.8865988975183665,0.9180654272473834,0.7269023633949899,0.8746809489167889,1.101283540561558,1.1514800337510378,1.2927683644480867,1.0651647003274876,0.7815355793775455,1.2343967322878269,0.8193251199180337,0.7197940762995627,1.5612322972881136,1.058609482842832,1.075602965383407,1.1564716539818662,0.7900065775198408,1.2264056351935377,0.8810798051473818,0.6745568363864353,0.9687292682747954,1.5380904852971276,1.4295474353513573,0.9171233102886082,0.8535792932503582,1.0558594115893745,0.6947835909097096,0.8237560839682759,1.8790120593957844,1.1331290762997372,0.954156881782827,1.172642309400536,0.8245656353895481,1.1511889451526158,0.8826071860440352,0.6783446624706574,1.9415513334105967,1.1763725532382583,0.9361484474752512,1.1661574536501564,0.837282277516856,1.12202440476072,0.8744304398793777,0.6863111192760605,1.0930565497494618,1.1931818181818172,1.0185158673347638,0.9696704578594335,0.7528036268193743,0.903022003672465,0.8883619661178708,0.911386934266149,94.53123923306424,47.765619616532106,73.07087035466635,95.38838209020707,6.813455863586221,47.765619616532106,0.9999999999999716,0.006199843199243327,4.4284594280309474E-4,-7.116523788773735,205.804204815035,14.700300343931072,7.457695356651631,94.5832323551463,47.7901473357705,73.1101862068167,95.43785719777031,6.816989799840737,47.7901473357705,0.997062316394711,0.006180881484747047,4.4149153462478907E-4,-7.120812135656261,206.28255944636766,14.734468531883405,7.460945627433161,140.69927830426303,69.55165019601543,108.03918143181275,139.33129723663546,9.952235516902533,69.55165019601543,-1.5959779122321578,0.008301516150219734,5.929654393014096E-4,-6.707843957024432,200.76145714838017,14.340104082027155,7.422964392089796,94.63780032433748,47.815889762606574,73.15144934291175,95.48978249651661,6.8206987497511875,47.815889762606574,0.9939792008756712,0.006160983262975539,4.4007023306968137E-4,-7.125326450986536,206.78743012106938,14.770530722933527,7.464367901209518,189.55553908782645,92.61318101523497,145.09816294692746,185.8448158958066,13.274629706843328,92.61318101523497,-4.329177057356489,0.01840238636775221,0.001314456169125158,-5.593384900428006,134.9301806088061,9.63787004348615,6.866660449570411,99.97721652368782,50.3348766336005,77.19016413912004,100.57081944669912,7.183629960478508,50.3348766336005,0.6925367435131804,0.004231406744587107,3.022433388990791E-4,-7.651309088470369,276.1471937960877,19.72479955686341,7.869307648177988,91.09698437809149,46.47614074772947,71.37190264554886,92.66682231178548,6.619058736556104,46.47614074772947,1.9982142857142193,0.012247834942051339,8.748453530036671E-4,-6.163368535850449,106.7671185636133,7.626222754543806,6.538910000705446,0,11.996249451005685,15.999287576689694,-0.40600811153560007,0.08230072255302319,4.084702748281819,7.728637035065942,13.0,35.0,35.0,35.0,13.0,0.0,0.0,0.0,0.0,0.0,29.79855399999999,3.5525757307701733,3.4140278996847835,3.2131378260863235,2.7242512547952855,2.609097096206251,2.465447164060638,2.413444502151674,1.8154139047792082,1.7982522112420616,1.7256600520946899,1.6370310176065657,1.3782186414717337,1.2114322559591126,1.1863740301730048,1.1559631323470423,0.5691382964656092,3.463318945515583,3.3437251169403415,3.184897292827682,2.684797627448024,2.504277854399489,2.444131337173079,2.4297091056636853,1.7242386955312612,1.8113299530424931,1.7170777138321855,1.5911099364332477,1.308290390264787,1.1644458214585112,1.1090019869257204,1.0915922548553916,0.536944006063577,3.65979124439328,3.539120213631559,3.369356506118732,2.9727424312081694,2.8411531277887567,2.745092259132332,2.7281445746857598,2.1438288066018365,1.5811930260211011,1.4806259872362937,1.3519004460670139,0.9590596348908541,0.7786890650793221,0.7397220526125697,0.7275803574790842,0.05126260809180675,3.4492468850990594,3.3382316634940463,3.1953907212234247,2.7020987133667194,2.509754823647524,2.4641009168253287,2.4617265262389436,1.718514526279455,1.817300545510367,1.7123095557323496,1.5655362520399023,1.2618812782690685,1.1399773165636864,1.0533345214042364,1.0496304247598331,0.5121426041467546,3.684551653528963,3.5744151829852115,3.4242130787323553,3.0631472284908283,2.9150038959381135,2.8391566665632846,2.8390850329334087,2.2380386973963757,1.5492049913233,1.4387134857174448,1.2934462753675724,0.8647382701630337,0.6877712995148945,0.6312412097648225,0.6311816108659404,0.049741122935591714,4.318147799907652,3.7551732904302275,3.5865002129231236,3.344966708504606,3.026670693665063,2.8129427775642966,2.747672154920863,2.248813264401262,1.6261401960489061,1.5336044377524938,1.433848468789463,0.9812974030859528,0.8407422895736225,0.8372907599892689,0.8204336959728942,0.18188905000487526,0,0,0,0,0,6,3,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8660254037844388,0.0,0.0,0.0,0.5,0.0,0.0,0.0,1.393846850117352,1.0239903785523012,1.2071067811865475,0.6129872898001298,0.3835087154657119,0.4510295913248882,10.974691494688164,6.595754112725151,5.286712265874596,3.698377302757663,1.6906570452189678,1.3737734478532144,0.7349992463590759,0.2821175568066727,0.7839065353348689,0.5073657009788578,0.3524474843916397,0.2641698073398331,0.15369609501990616,0.11448112065443454,0.0816665829287862,0.04701959280111212,9.525329618020068,4.965728785817341,3.5167947654753746,1.8903804924272427,0.7684088949254626,0.5879241254992078,0.21248826704787283,0.07008686515887032,0.6803806870014334,0.3819791373705647,0.23445298436502499,0.13502717803051734,0.06985535408413296,0.048993677124933986,0.023609807449763646,0.011681144193145053,18.819302259312018,36.08885651857248,34.3764705882353,34.959999999999994,20.705057485029954,279.1861952095809,0.5227583960920005,1.0024682366270132,0.9549019607843139,0.9711111111111109,0.5751404856952765,7.755172089155025,0.8237999999999999,54.384800000000034,56.13540121143739,86.496085633806,112.2708024228748,8.019343030205341,56.13540121143739,9.992007221626409E-16,7.137148015447435E-17,-48.355406389277235,3000039.6262239586,214288.54473028277,20.879790477401055,195,1.0,0.0,4.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,3.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6419678060235419,0.0,24.52048922039227,0.0,0.0,3.404375321673142,0.0,0.0,3.503805574868231,0.0,0.0,3.2364861428685088,0.0,0.6419678060235419,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.933270030234316,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.365006391432708,0.0,1.1050470836482744,0.0,0.0,0.0,0.00945730452674809,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.718034729336587,0.0,15.802454491055682,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6419678060235419,0.0,5.041508487654321,0.0,0.0,3.404375321673142,0.0,0.0,3.503805574868231,0.0,0.0,3.2364861428685088,0.0,0.6419678060235419,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.40401927437641727,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6557817756604734,0.0,0.04285108024691375,0.0,0.0,0.0,-0.12416795267489733,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.718034729336587,0.0,5.041508487654321,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6419678060235419,0.0,8.718034729336587,0.0,0.0,3.404375321673142,0.0,0.0,3.503805574868231,0.0,0.0,3.2364861428685088,0.0,0.6419678060235419,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6288888888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9483383723859915,0.0,0.5640204554043841,0.0,0.0,0.0,0.10436599794238655,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.718034729336587,0.0,5.45791477702192,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,33.0,2.357142857142857,0.6419678060235419,8.718034729336587,-0.03138888888888891,-0.12416795267489733,3.718334809841266,1.4575012860082306,2.7180347293365874,16.04097844078454,1.4575012860082306,2.7180347293365874,16.04097844078454,6.33332,0.45238,0.0,0.04762,0.54074,0.91905,0.42727,0.54074,0.87778,0.11347,0.0,-0.11347,0.04127,0.49223,0.22206,0.0,0.36842,0.23684,0.0,8.25,0.58929,8.25,0.58929,0.0,0.0,-8.25,-0.58929,0.0,0.0,14.10546,1.00753,19.35329,5.24783,0.37485,4.77647,0.34118,6.59573,1.81926,0.12995,0.31827,0.02273,0.31827,0.02273,0.0,13.04,4,4,4,4,1,1,1.0,1.2997367636952524,2.0794190045809833,3.307184722943378,3.5367586814570005,3.856474653799415,4.141604167868593,46.790523493029085,74.8590841649154,119.05865002596161,127.32331253245202,138.83308753677895,149.09775004326934,0.2514034078507232,0.40221453966950477,0.6396968470569178,0.6841025122163883,0.7459440229255804,0.8010955993971214,3.87018823774706,3.090505996861329,1.8627402784989342,1.6331663199853117,1.3134503476428971,1.0283208335737193,0.2533954081694217,0.40540149524045926,0.6447654988071136,0.6895230132112141,0.7518545264629122,0.8074430976388897,12.231208726217618,20.15552739721507,23.38095462274334,24.453497378188068,27.670856374048785,26.51492456035637,51.622981705422596,34.98208451058366,30.283543062206217,27.834921534628762,22.28763646372197,23.076024312566798,14.0,8.32,8.081632653061224,14,0,3,2.12,1.7523999999999997,1.0626585691826111,3.0456419773874117,3.793622187643851,0.0,0.7937005259840998,3.819378768949865,0.0,0.7937005259840998,0.0,0.0,0.0,0.5503212081491045,0.7937005259840998,0.0,0.0,0.0,0.0,0.0,0.0,0.259,1.0719999999999998,1.113,0.82,0.23100000000000004,5.938,15.0,14.0,11.0,12.0,9.0,6.0,6.0,4.0,1.0,105.0,2.6390573296152584,2.772588722239781,2.70805020110221,2.4849066497880004,2.5649493574615367,2.302585092994046,1.9459101490553132,1.9459101490553132,1.6094379124341003,0.6931471805599453,4.663439094112067,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.6153846153846154,13.0,1.0,0,5.0,10.0,1.0,3.5,1.5555555555555562,0.375,0.5600000000000003,0.27777777777777785,0.08163265306122448,0.125,0.07407407407407406,0.020000000000000004,0.0,0.2692307692307692,0.10370370370370376,0.026785714285714284,0.05090909090909093,0.023148148148148154,0.009070294784580497,0.020833333333333332,0.012345679012345677,0.005000000000000001,0.0,0.5210267334076858,56.13540121143739,86.496085633806,112.2708024228748,8.019343030205341,56.13540121143739,9.992007221626409E-16,7.137148015447435E-17,-48.355406389277235,3000039.6262239586,214288.54473028277,20.879790477401055,47.92,216.67721176171113,4.807354922057604,4.04305126783455,4.74493212836325,5.493061443340548,6.220590170099739,6.968850378341948,7.704811922932594,8.452547997922705,9.19248185367487,9.93967482329784,89.76000198580805,3.295836866004329,0.0,4.465908118654584,0.0,5.7899601708972535,0.0,7.166265974133638,0.0,8.569216219483389,8.85552084853691,206.151809184,5.726439144,26.303029455533306,1.878787818252379,10.92814882878033,10.92814882878033,0.0,379.0,14.0,0.31100000000000017,56.0,1.2362,2.110135693976858,2.8608223979671794,3.48688062551938,4.212831953419889,5.399554794378297,6.250429493327805,7.388320886780652,8.450887846993593,9.043185912579451,100.06724342948566,111.75479157698116,131.78020865753956,125.61549112360734,155.3917310820679,201.36291120201716,149.28667633015942,205.07451953822473,275.4239247461274,124.04731990798297,274.2880158867089,325.2240252212395,398.25755648769126,451.2440025809985,515.4845750410326,691.0254743904648,620.6364369628113,743.5387438962582,988.257529798628,702.4670848806754,9.790286450742862,16.818996957233193,23.039057335413403,26.310178301297775,31.836913119463198,42.22196898738723,45.967587066053085,55.008401147800186,65.60247554473673,66.14605089415548,1.8617106731554847,2.2900168959844343,2.931316531927815,3.5477288981646136,3.9792027922985564,5.406383144538572,5.306753506120746,6.072919909587845,7.940303549596196,6.634399187206003,183.341004210189,343.25935998161503,474.3083021989075,571.7997455987611,705.7196276095854,889.5553728570737,1058.926938984891,1268.4758286060696,1405.7601311602764,1556.4871543934062,3.5695999999999994,5.600445021800202,8.626671306275414,7.623266462398557,9.173107758000713,15.342100463671148,12.476463811996119,15.274988957153848,25.53536825559411,20.183307187341605,0.44723676000000007,0.5858548100391834,0.7421459377097293,0.8496422208402509,0.9761637647732959,1.3305430494200414,1.271632019687171,1.4977787839076706,1.9670763810555176,1.6171214202851545,474.9242152955939,772.4869585586165,23.37870111904068,104.21525133690906,-169.51109239726648,-32.778665076860804,370.7089639586849,941.998050955883,56.15736619590149,0.8200515465767079,1.3338530752365445,0.040367998497805355,0.17994845342329183,-0.29269476898701996,-0.05659891436419878,275.0473567371503,447.37768516020174,13.539528496641926,60.35516507422978,-98.17056363924587,-18.983418609538624,0.12901319007688206,0.24167258487763968,1.658194926587031,10.943271728157155,483.2991449863652,95.84032164613775,0.8345125359813302,0.1654874640186694,1056.2487071860323,32.49998011054826,10.184086126246573,1277.707396967529,35.74503317899605,10.85118421519213,2003.4955369669274,44.760423780019416,12.606546394467069,2.316638677123206,2.316638677123206,2802.9868684053636,2652.6981437422114,211.179046525494,1.0566550419683776,13.273034964986362,12.561370019359245,5.952320077523572,6.434830580166162,12.21255639852965,0.8978831293821403,6.5712496069013815,10.348023201621658,12.53229463373046,26.54994014267386,15.202526066228055,16.685246270326576,16.038680730015354,12.433498592281882,18.348318636610713,9.635322423851562,14.126285743649671,8.67921567927633,22.871797148152414,2.7797563056590495,6.615774790392308,6.029117921608403,5.578872495035967,5.384582088493552,3.7285910627299024,5.217150054851458,2.214848625519263,0.6462220781501542,1.7918426642081324,5.160869904134444E-4,2.3542027655823377E-27,2.0712891256149087E-72,3.5149041744620596E-139,1.1504351929526243E-227,0.0,0.0,0.5713852129976706,9.273523966316471,1.184396959090509,6.370028956615706,1.55084451563404,5.707300507216478,2.5074729689616166,2.323287993742508,4.42089746387134,0.5123703292686682,4.090066836635783,0.5761838453237181,8.200582866307634,0.1697809789116362,0.9417495948281694,1.2126705978725307,0.21268847344255337,1.8079704238356817,0.1088595806239201,2.8695189841740385,0.06122779763460588,0.7063104882861434,0.01490577841628625,5.7692312521900776E-5,2.631715280539105E-28,2.315451889696027E-73,3.92923972429127E-140,1.2860480502470486E-228,0.0,0.0,1.7250499770268561,7.751098392275557,2.4075351631911914,8.22711937497171,2.926800720865954,4.92666422444666,4.401345041144353,2.5032562239864897,5.896106884755503,1.611881889481708,4.861724512022794,1.779795893878772,8.024581743033563,0.4487944417972786,1.4127033576062564,1.8353520785621626,0.8405683041975938,1.6314137139395182,0.48584845108682206,1.9036274028152134,0.27974868834301553,0.39361682486154825,0.13413522442910697,9.993973697285054E-5,4.558890453637671E-28,4.011030978104195E-73,6.8065772926074E-140,2.2278064130058886E-228,0.0,0.0,6.425681879450641,11.01829095870928,14.514259301140653,26.794152769562572,14.834294978995658,17.093099900411676,15.318063012010779,12.050040743391202,17.497736127216168,9.357307165844553,14.451735703752918,8.39010966380088,22.88932839088576,2.857638705775715,6.578429904546756,5.866024419881711,5.08841594408742,6.020156569596141,3.3790237038704647,5.997260624467967,2.004880849748888,0.8133254226457651,1.6044654907095854,6.482244168392018E-4,2.9569660615924613E-27,2.601616028037326E-72,4.414850116388783E-139,1.4449893065098889E-227,0.0,0.0,2.4755051225685745,7.292834693971372,2.795079147617235,9.816360497530711,4.134780445764874,5.72743971121241,5.854009662890409,3.183531487419208,7.20128513813024,2.45359451485268,5.660789921449904,2.648272797598289,9.315569286925543,0.6326523209045752,1.8682594003690016,2.3089925052974625,1.409525987108189,1.6498150102944509,0.8520752492040929,1.832278829709555,0.49537762031056026,0.280878347451872,0.28636511893212857,9.895901624186792E-5,4.5141535070676505E-28,3.971670243209817E-73,6.739783521675458E-140,2.2059446776822273E-228,0.0,0.0,8.116365765046535,11.815729332965253,17.764298884989717,34.45594691000707,20.502689158347586,22.096630369465228,20.69841453562739,17.02776081663917,23.92215742438883,13.150223520426946,17.704859004955054,11.374058084266295,29.339702477479797,3.889936014882723,8.871233143570311,7.779531689825605,7.5961512939196565,7.190316617056793,5.16843455382854,7.093675347149602,3.0814065898140006,0.8024116102466297,2.61328000588297,7.537496066778417E-4,3.438333927347611E-27,3.025136057975133E-72,5.13354858430777E-139,1.6802207579453113E-227,0.0,0.0,5.364682549786745,11.297560699444656,14.600092801067376,21.9698255717878,10.558962386504362,18.205752450976124,9.760463510778607,8.253819244804145,12.074850524634668,7.042282618832683,12.970062687747596,5.931490690682329,23.625840968479203,2.0373854042052963,4.877024734681509,4.1072656102172225,2.5430483084204667,8.632311267089298,1.689586117090028,11.736610379354657,0.9229371101321097,2.3990579386813287,0.698236441738114,0.0011373817956844032,5.188325654175951E-27,4.564824519261507E-72,7.746345288070655E-139,2.5353943646338827E-227,0.0,0.0,13.125288750765549,1.6648728254037728,0.5577337614933882,0.8551849267929895,0.10847564364856503,0.5505040618134003,0.41936867031898206,0.4131687052576032,15.34789533766271,30.10090901569929,57.63636713063779,0.7827773901894842,1.3830414373899855,12.751849514141451,0.8883783466172552,0.14822259033588692,0.9248210710384174,0.06442916481211501,0.520011270576958,0.11957594149054494,0.029400672879940196,13.788450451094594,13.35025689397842,28.817842066522275,0.887231606557626,0.6689878849474431,12.547505930212957,1.2751527983306037,0.31831724234942504,0.8873154127437922,0.090174313353994,0.503142613501483,0.24606491621703064,0.13491808983973796,14.140975970892985,20.39997790738809,39.6340257129185,0.8309731191156883,0.8841256195582516,13.20435697403173,1.5909506511069456,0.5290298670378906,0.8616592385003831,0.10381855998141279,0.5572176547863755,0.3830074140195789,0.3722731976113344,15.324337492176566,28.834639950996124,55.27256196645895,0.7924888577505745,1.3124982664172888,12.548784779385514,1.4550004095879947,0.4052645111942868,0.8708960716014034,0.10097823519694368,0.5031666940967319,0.32026740719922103,0.21803343109433707,14.409049700167797,23.933724153316657,45.742290660189255,0.8063441074021052,1.04146753239029,13.232456634262913,1.6968606889603262,0.5826813823396118,0.8530465277512912,0.10939020310463311,0.5595428486573206,0.43564823022173604,0.4510317809896317,15.511998705562851,31.152670736335438,59.74798480254801,0.7795697916269367,1.4462228598686884,13.287354319852172,1.6217826781672635,0.5377039106133751,0.8601988198393522,0.1049912203899824,0.5642274651035785,0.39796074805021514,0.38408856316165624,15.446840908632812,29.56590234231282,56.59983293935588,0.7902982297590284,1.3462767763154497 +UMLCN0194,L,diethoxymethane,CCOCOCC,Ethers,,C5H12O2,Marquardt (2015),IQT,PubChem,,57.3,0,0.4027000000000001,0.1621672900000001,27.4531,18.405515999999995,0,0,19,7,12,0,5,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1245.4493749999988,1202.4692539999999,1188.0556129999986,878.6676439999999,722.299459,445.91131400000006,269.39925700000015,84.835296,9.144576,2923.370995846528,3434.7912082481694,3752.112493201954,3235.472455538417,2753.0665475554697,2171.0669859046975,1695.2180431782372,1061.4246313942745,279.75369987837234,145.02758,140.628152,255.9123560000002,229.53843200000017,190.41698800000012,181.00013600000008,105.59069199999999,123.32735999999997,60.46617599999999,20.566262858187986,24.29769172000001,28.314787131640994,25.708797254187985,22.29899828279199,18.575940014187996,15.702794719396001,12.016620718188005,4.001516143641,3223.8861763459886,2704.4325983948006,5422.685213728942,5115.373235181089,4184.7848130275925,4196.196387499488,2397.6904413159964,3137.747110568388,1664.258868218241,51.25,48.0,84.75,61.5,55.25,45.0,25.0,24.0,9.0,65.5499671052631,66.80384744444444,37.12673790624996,29.28892146666666,28.89197836,18.579638083333336,17.959950466666676,4.713072,1.016064,153.86163136034358,190.82173379156495,117.25351541256106,107.84908185128056,110.1226619022188,90.46112441269572,113.01453621188247,58.96803507745969,31.08374443093026,7.63303052631579,7.812675111111111,7.997261125000006,7.651281066666672,7.616679520000004,7.541672333333337,7.039379466666666,6.851519999999998,6.718463999999999,1.0824348872730518,1.3498717622222227,0.8848370978637811,0.8569599084729328,0.8919599313116797,0.7739975005911665,1.0468529812930667,0.6675900398993336,0.444612904849,169.6782198076836,150.24625546637782,169.45891292902942,170.51244117270295,167.3913925211037,174.841516145812,159.84602942106642,174.319283920466,184.917652024249,2.6973684210526314,2.6666666666666665,2.6484375,2.05,2.21,1.875,1.6666666666666667,1.3333333333333333,1.0,0.31343490332094187,-0.11167726662012775,-0.01934212218633433,-0.03288823050476127,-8.904735981545859E-4,-0.02056349406366416,0.012152347009408966,0.010739777466693273,0.005752010836468979,674.5538907368422,9.445055512465885,-155.15490550415473,-53.21490979501368,-140.21784128531834,-73.72295566759003,-169.4139461606647,64.89061824930715,180.11193928254818,834.4666208125417,-220.3842274796501,-137.67951080197668,57.41187486740044,-198.5526858179444,170.37048810677732,-297.3032336411751,-8.074157747623495,216.9781421079218,1.933466105263158,0.0030556897506936456,-0.07164333518005178,-0.5519367977839316,-0.36813455955678587,-0.5539748698060931,0.09023791689750515,0.2768620055401631,0.2088008975069233,3.5978126041745284,-1.784138475684917,-0.13778713479778126,0.39783317193853707,-0.9204239344344818,1.4120636151317547,-1.1818794739293619,-0.28130228988555195,0.696728219574539,20.19020201887976,-11.109095811342481,0.07934150708282639,2.1464142568617963,-5.224843348509818,8.560711107098767,-6.098221608801913,-1.8339425134273917,3.3845354015983387,11.44736842105264,-1.1343490304709147,-0.18767313019390627,-3.0221606648199444,-0.9307479224376731,-3.1440443213296394,-0.024238227146814284,0.9182825484764549,1.8012465373961224,0.01649657385899694,-0.006204292590007097,-6.044413183229478E-4,-0.001096274350158709,-3.5618943926183436E-5,-8.568122526526733E-4,8.10156467293931E-4,5.966543037051818E-4,6.391123151632199E-4,35.50283635457064,0.5247253062481048,-4.848590797004835,-1.773830326500456,-5.608713651412733,-3.071789819482918,-11.294263077377646,3.6050343471837305,20.012437698060907,43.91929583223904,-12.243568193313894,-4.302484712561771,1.9137291622466814,-7.942107432717775,7.098770337782388,-19.82021557607834,-0.4485643193124164,24.108682456435755,0.10176137396121884,1.6976054170520253E-4,-0.002238854224376618,-0.018397893259464386,-0.014725382382271435,-0.023082286241920547,0.006015861126500344,0.015381222530009061,0.023200099722991478,0.18935855811444888,-0.09911880420471761,-0.0043058479624306645,0.013261105731284568,-0.03681695737737927,0.05883598396382311,-0.07879196492862413,-0.015627904993641775,0.07741424661939322,1.0626422115199874,-0.6171719895190267,0.0024794220963383247,0.07154714189539321,-0.20899373394039272,0.3566962961291153,-0.4065481072534609,-0.10188569519041064,0.37605948906648207,0.6024930747922442,-0.06301939058171749,-0.005864785318559571,-0.10073868882733147,-0.037229916897506925,-0.1310018467220683,-0.001615881809787619,0.05101569713758083,0.2001385041551247,-0.37609582711160267,-0.03664041536681244,-0.06645466868023753,-0.002159172215432933,-0.05193880013972617,0.04911058952111356,0.03616837707059864,0.0387421243117497,0.014779813674817887,-0.13656911094599422,-0.04996305953656835,-0.157979311720278,-0.0865223777842599,-0.31812283854114154,0.10154215035609733,0.5636856024176362,-0.27877423718452427,-0.09796342657669672,0.04357376697378434,-0.18083412500634533,0.16163215286733998,-0.45128718938907203,-0.01021337684979792,0.5489314434485704,0.001668221792778644,-0.02200102197155714,-0.1807944659481092,-0.14470502715385175,-0.22682758047977206,0.059117333938444885,0.1511499101404707,0.22798532311319825,-0.5234450726267672,-0.022739125209372355,0.0700317211080025,-0.1944298570077144,0.31071204042577505,-0.41609930764788583,-0.08253075619743694,0.4088235957764519,-0.5807900183413881,0.002333261439701136,0.06732947469972349,-0.19667366087542412,0.3356692330327273,-0.3825823055456649,-0.0958795858906027,0.3538909757109801,-0.10459770114942527,-0.009734195402298867,-0.16720306513409947,-0.061793103448275814,-0.21743295019157066,-0.0026819923371647356,0.0846743295019157,0.33218390804597686,1.3996556021595143,1.541614810319124,1.2571133185388588,1.190700215650578,1.1134295189614034,0.07838740205219757,0.06086115542387938,0.0,1.1240085520399021,1.267633209599391,1.0445645091903941,1.1428292732518606,1.018809179203308,1.0768539978422313,0.5384269989211157,0.0,1.7012805477792057,1.0069960189007117,0.8522570556012213,1.1449538721434054,0.6296806155912958,1.6187160120557749,0.8093580060278874,0.0,0.9264315496010214,1.5868451180231102,1.3352786443849296,1.1911701134716988,1.3308860150148665,0.07359632507270271,0.03679816253635136,0.0,2.0972169868822816,0.9159736102498235,0.8061504813787415,1.1651294022081906,0.4310309337357925,1.6783936167457691,0.8391968083728845,0.0,2.175285131601215,0.9164586859570192,0.8150821599703276,1.1730396994976193,0.40619870977590056,1.6246234733075706,0.8123117366537854,0.0,1.0482758620689647,1.4741379310344815,1.2579310344827574,1.1006896551724128,1.2775862068965507,0.28827586206896527,0.2620689655172412,0.0,26.555492062253307,13.527746031126657,21.358015687170006,26.91263491939617,3.84466213134231,13.527750497377856,0.5000000000000053,1.2212453270876722E-15,1.7446361815538174E-16,-24.037233707815112,2000011.0916250586,285715.87023215124,10.15606429902496,26.57511222592189,13.536821692059636,21.37370598922739,26.93120591034859,3.847315130049799,13.536826115720189,0.49853115819738214,1.1102230246251565E-16,1.586032892321652E-17,-25.715760398773973,2000011.0900324287,285715.8700046327,10.156064298467543,43.98093537690445,21.591473210394206,35.345035360408865,43.410943265393,6.201563323627571,21.591473211409212,-0.7979889561160363,8.881784197001252E-16,1.2688263138573217E-16,-24.260151319598087,2000010.424646739,285715.77494953416,10.156064065583804,26.595704067782506,13.546346834110192,21.390173620531744,26.950696639523848,3.8500995199319785,13.546351213509325,0.49698960043788,5.551115123125783E-16,7.930164461608261E-17,-24.589153860070102,2000011.0883651236,285715.86976644624,10.15606429788399,62.41753112771359,30.126471299517643,50.18001169598416,60.87139646437194,8.695913780624563,30.126471299517814,-2.1645885286782978,1.1102230246251565E-16,1.586032892321652E-17,-25.715760398773973,2000010.2193315255,285715.74561878934,10.15606399372385,28.610728726593337,14.47849854917497,23.00285236264388,28.858063277848053,4.122580468264008,14.478500189364253,0.3462683717566062,1.6653345369377348E-15,2.379049338482478E-16,-23.820125258002424,2000010.9437265461,285715.8491037923,10.156064247260765,20.994793333067438,10.961682380819436,16.90805230973227,21.658058639189893,3.0940083770271274,10.961749582086089,0.9285714285714342,2.220446049250313E-16,3.172065784643304E-17,-25.23055737238201,2000011.4738917295,285715.9248416756,10.15606443281754,0,11.889999999999995,15.995917153189938,-0.35602371157202317,0.14720492046426775,4.579487713963986,5.439287630482229,6.0,18.0,18.0,18.0,6.0,0.0,0.0,0.0,0.0,0.0,16.950484,3.378442680489231,3.112825406907417,2.6654051982360323,1.9752563765106297,1.680005914768168,0.8970442632219826,0.608623782075799,0.08392307051869144,1.6929085730207862,1.632588973795351,1.2573321016345749,0.8526619583662856,0.7984387159167912,0.08392307051869065,0.08392307051869115,0.08392307051869116,3.254328240968187,3.0956084807192403,2.6463902163130535,1.922069459999846,1.762378137862601,0.5716064908770647,0.45349466186558357,0.2709139018929377,1.6947680846057347,1.5744978614906038,1.229153153950116,0.7581596619028189,0.6651292083579102,0.27091390189293696,0.2709139018929371,0.27091390189293724,3.5079641811789473,3.3100387887763074,2.918017297327489,2.317180521878481,2.144098008533126,1.1985534987649906,1.0977918675150495,0.9439184268026227,1.4116193743781977,1.303011727384026,0.8858586596317666,0.304261446201814,0.20797525790808435,0.9439184268026215,0.943918426802622,0.943918426802622,3.238353712064543,3.1117069900946346,2.654421541692063,1.9509627283013842,1.826016032303428,0.45350752645053594,0.4318401087676261,0.39927724550898225,1.7011941891400189,1.5381482493040257,1.1957295095064504,0.6992349835664813,0.5756364386961622,0.39927724550898164,0.39927724550898175,0.39927724550898186,3.5376358903031,3.3807179295891636,3.00139364142805,2.438300471112462,2.3086966119752614,1.2088056094665693,1.2083412927238308,1.207644822962088,1.3670671149382554,1.2303653326698862,0.808214804207391,0.17278295837892246,0.04846497520311937,1.2076448229620866,1.207644822962087,1.2076448229620877,3.6696991737877913,3.3339919055408607,2.9056619878404244,2.409893312407152,1.929172863263691,1.4206121717957079,1.1434598447103776,0.5882352941176476,1.4523346279979674,1.3840989203504426,0.9857834342848207,0.4862808223344518,0.44516992496655183,0.5882352941176467,0.5882352941176469,0.5882352941176471,0,0,0,0,0,4,0,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.535533905932738,3.414213562373095,2.060660171779821,1.2071067811865475,0.6767766952966369,0.35355339059327373,0.17677669529663687,0.0,0.7907905579903911,0.5690355937288492,0.4121320343559642,0.30177669529663687,0.22559223176554563,0.17677669529663687,0.17677669529663687,0.0,4.937816924487368,2.5689141007523464,1.103449689851247,0.5749149571305298,0.22559223176554563,0.11785113019775793,0.05892556509887897,0.0,0.7054024177839098,0.42815235012539105,0.22068993797024938,0.14372873928263244,0.07519741058851521,0.05892556509887897,0.05892556509887897,0.0,9.680565031548955,18.988346686088853,18.05098039215687,18.360000000000007,10.751805988023948,147.7358778443114,0.5095034227131029,0.9993866676888871,0.9500515995872036,0.9663157894736846,0.565884525685471,7.775572518121653,1.0169,28.11899999999999,16.625382301558535,26.723216980603148,33.25076460311708,4.750109229016725,16.625382474771918,3.3306690738754696E-16,4.7580986769649563E-17,-24.9467317967063,2000010.7099194438,285715.8157027777,10.156064165428724,54,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.703333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7272222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.8869444444444445,0.0,1.9097222222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.703333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.851666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.35111111111111115,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9434722222222223,0.0,0.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.851666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.851666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9434722222222223,0.0,0.7361111111111112,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.851666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.5,2.2142857142857144,0.7,4.851666666666667,0.2863888888888888,0.4375,2.5996461111111113,1.0625,1.3516666666666668,5.406666666666667,1.0625,1.3516666666666668,5.406666666666667,3.16666,0.45238,0.0,0.04762,0.52807,0.91905,0.42174,0.52807,0.91905,0.10633,0.0,-0.10633,0.0,0.49223,0.22206,0.0,0.31579,0.0,0.0,4.0,0.57143,4.0,0.57143,0.0,0.0,-4.0,-0.57143,0.0,0.0,4.69219,0.67031,6.60412,1.91193,0.27313,2.40552,0.34365,3.41421,1.0087,0.1441,-2.1E-4,-3.0E-5,-2.1E-4,-3.0E-5,0.0,6.02,2,2,2,2,0,0,1.0,1.2674438038072338,1.667951197198645,2.589518302689536,2.589518302689536,2.5895183026895365,2.365943170403032,24.08143227233744,31.691072746774253,49.200847751101186,49.200847751101186,49.20084775110119,44.95292023765761,0.29836756860753955,0.3926505788811164,0.6095956897791651,0.6095956897791651,0.6095956897791652,0.5569641108317968,2.9804837096363515,2.5799763162449403,1.6584092107540491,1.6584092107540491,1.6584092107540487,1.8819843430405534,0.3039488248275076,0.39999549071547486,0.6209987713912989,0.6209987713912989,0.620998771391299,0.567382667454376,11.972549709172307,16.778638429869243,17.707416827450746,17.707416827450746,17.707416827450746,15.024515240012693,25.700029212929373,20.0415119993778,20.744581941211976,20.744581941211973,20.744581941211973,19.403131147492946,7.0,6.0,6.0,7,0,2,1.7899999999999998,0.9305000000000005,0.16666666666666669,2.4328807982293603,0.0,0.0,1.1905507889761497,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.507,0.516,0.497,0.068,2.989,5.0,4.0,3.0,2.0,1.0,0.0,0.0,0.0,0.0,28.0,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,0.0,0.0,0.0,3.367295829986474,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.6666666666666666,6.0,1.0,0,3.0,6.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.0,0.0,0.0,0.0,0.0,0.08333333333333333,0.04444444444444447,0.03125,0.026666666666666672,0.027777777777777776,0.0,0.0,0.0,0.0,0.0,0.21347222222222223,16.625382301558535,26.723216980603148,33.25076460311708,4.750109229016725,16.625382474771918,3.3306690738754696E-16,4.7580986769649563E-17,-24.9467317967063,2000010.7099194438,285715.8157027777,10.156064165428724,18.46,112.61683523125558,3.807354922057604,3.1354942159291497,3.713572066704308,4.31748811353631,4.919980925828125,5.53338948872752,6.142037405587356,6.7580945044277305,7.368339686311381,7.98514393119862,62.8735403382505,2.5649493574615367,0.0,3.4965075614664802,0.0,4.574710978503383,0.0,5.720311776607412,0.0,6.900730664045173,7.275172319452771,104.083729624,5.478091032842105,12.83378877709787,1.8333983967282672,5.633883476483184,5.633883476483184,0.0,56.0,4.0,0.8130000000000001,22.0,1.2227777777777775,2.0628496667055005,2.7852269817800317,3.563542498206113,4.676399104847863,5.748848531894725,6.6396845292453825,7.512021467053363,0.0,0.0,93.26591278922218,82.86827457909664,96.602616923728,125.02233199291653,100.4424814481049,116.14260831437609,33.320970307335465,7.632694579900108,0.0,0.0,251.12009881190613,254.8217283621189,327.2842081150844,443.80045812644147,460.2430974869728,696.4698395672868,406.82255360966064,233.5017554415486,0.0,0.0,9.68341812222222,16.60198207693081,21.491102962978157,27.562214765491003,35.482209978003944,40.61439981347275,45.564907169611686,50.46924579362522,0.0,0.0,1.7154725513533335,1.8920239285305662,2.5027533596046463,3.456002379701746,3.8292743704349044,6.333921484811331,4.554881182041573,3.3399416857546425,0.0,0.0,182.84831898083064,347.25798652321004,472.7922246973471,586.2374088925762,812.6804896298023,907.8350994228779,1151.6122771984944,1389.1053716432623,0.0,0.0,3.441833333333333,5.64615343445449,5.982882192381547,8.555623592550523,9.074303650811457,9.937592963678096,9.03573253038687,7.512021467053363,0.0,0.0,0.42281416666666677,0.49840844219952607,0.6315175539310124,0.8655253788655205,0.9306656330809008,1.3557006737643245,1.0095999007517957,0.7692309982262644,0.0,0.0,406.93975757282914,322.693171750849,16.794218845578534,119.27962989733902,-94.58579895563808,-16.876050762079405,287.6601276754901,417.2789707064871,33.67026960765794,0.7733271849393784,0.6132293477483148,0.03191486145411283,0.22667281506062162,-0.17974594096649515,-0.03207037057910779,214.13958996723287,169.80740317953754,8.837443553960291,62.767253782246094,-49.772881189812345,-8.880505094936888,0.18551328064124048,0.4477109395772177,0.20419498763899152,10.62099927720463,488.1716242923891,38.04776317777903,0.9276960064875298,0.0723039935124701,514.8827338975185,22.691027607790673,8.01498614843947,631.1271668789701,25.12224446340275,8.577728414092748,789.3995242804028,28.096254630829407,9.241992678028211,2.4743910198800285,2.4743910198800285,575.5250964146923,552.2076062863439,40.04688638302753,1.0422259488331953,14.37128197458588,13.789027216866922,3.7544907892273245,4.234324309599902,8.268098662837785,0.9526370816927414,3.3468070246586388,3.4281586861451636,6.307406354977563,7.397918579823362,6.6816252921292145,1.6865023902951828,3.1508112709613636,6.046059247065697,0.3062998626201771,0.2638498612164593,7.9062698420854325,5.8137079960113685,0.13214659687565622,3.9182930360003905,1.341257500601383,0.009235738445723961,1.0883334545506708E-23,2.4735957665624413E-66,1.0843547432031208E-130,9.168323797906307E-217,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.28087480050803876,3.9362335550832164,0.8379125067736103,0.9738608257696175,0.2119469174319706,1.91466817980407,0.26099366099496485,3.7418666121508517,0.015268691047874103,0.025132958713935054,0.3296135254158963,0.27395577218733863,0.1039456187985855,0.3286949106048339,0.009446586262912995,6.504806103602207E-5,7.665221508295697E-26,1.7421737238162638E-68,7.637199118954434E-133,6.457325415926441E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9066967201343242,2.9912969455961003,1.2631245282990369,2.1183347344401313,0.6796963336201515,1.3968650066281443,0.8444713419150204,2.803986701624948,0.037533944996312504,0.07383921925314542,1.2766349118624478,1.025331297163063,0.10583006163239857,1.0611596688138079,0.09844071207549582,6.778509483140246E-4,7.987751803328838E-25,1.8154793425166922E-67,7.958550313097668E-132,6.729030945801837E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1591129698177465,3.934362812190413,7.603510931783401,7.109058886687989,6.527871163710467,1.9752686826583654,2.9723540249006235,6.422095371468768,0.31860241737975986,0.24930117484217232,7.230336502271437,5.340347057227627,0.12905037564626767,3.6984524125887606,1.1950362856617744,0.008228876679130765,9.696855141470847E-24,2.2039292945207155E-66,9.661405539673163E-131,8.168811441627709E-217,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3363039211008618,2.6322174920885146,1.3481966350150605,2.9553740529569748,1.1160878711125641,1.2004903458464362,1.2467274760732927,2.628647418629251,0.052878348069348706,0.10726230189032902,2.1047499635744606,1.6537805369718779,0.1082733429848497,1.5640476207560987,0.21382638088437145,0.0014723828386743584,1.735046429316651E-24,3.9434637283284306E-67,1.7287034754287748E-131,1.4616354391994475E-217,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.041754177449256,3.7488338183173187,9.03253063368205,8.96067387326497,9.747832716364252,1.885966437576379,3.81697005249477,7.669383554807742,0.4469717648990827,0.31801381209503093,10.64976568944013,7.718748670385025,0.14516579001060692,4.7323638286734,1.956098011079286,0.013469456533862677,1.5872320601722907E-23,3.6075069531105413E-66,1.5814294835974395E-130,1.3371138605755265E-216,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0266137145900043,4.7503933685550415,7.1468043977272595,4.411329839027178,3.673730534253352,2.4056952178665734,2.162939646856998,6.822697227718577,0.21426675635456932,0.1387827546124599,3.9513841927922995,2.8413351587322637,0.15341984845975654,2.7109901424886163,0.4641029414650149,0.0031957572476553502,3.76585970432758E-24,8.559154901600143E-67,3.7520925370350203E-131,3.1724303798983764E-217,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.335633523135785,0.7520306193452901,0.43682906842105274,0.8605360273797992,0.08821997985563584,0.6176711516260646,0.4685825511332739,0.5262962492550293,8.524493210902127,9.049547814756238,19.9838614473969,0.7908040410696987,1.6125499520143678,5.225585897449447,0.3234918100427244,0.08032866679852901,0.9282658863134331,0.0574646398810539,0.3134382883444071,0.08670450145684327,0.017797062775810526,5.6294063742907,2.1361842547039402,7.901380957844562,0.8923988294701496,0.4179398525770609,6.533377974888135,0.5105952832548417,0.23227138839623102,0.8979052096599857,0.07017291309710094,0.48995662368124676,0.21600741650592237,0.14879853177776622,7.276244646539207,4.972025426193744,13.023106979360703,0.8468578144899783,0.8547625719649354,7.074512847371784,0.7216028606418674,0.41258405817958665,0.8618311119755534,0.08790708409311317,0.574480304899362,0.4314312088979005,0.46949622068008023,8.208699766193238,8.321541765161015,18.63647848959022,0.79274666796333,1.4754077344773426,7.068053636709367,0.6028180895540354,0.3082181951982834,0.8858220306175687,0.07554973004284747,0.5734317534545395,0.3010839590504824,0.26201355533951853,7.979089921461686,6.62505282921304,15.91738360775973,0.828733045926353,1.1365292678445402,7.364240716386339,0.7758086029819959,0.45745867562772896,0.8565552623705016,0.09023645031019842,0.6224980808850966,0.49868263767863946,0.5771795706473516,8.597507994996064,9.436977483385453,20.648057278028862,0.7848328935557524,1.6983602892110876,7.224879316711108,0.7345486550297995,0.4221877155757096,0.8619912420518246,0.08763807390278545,0.5991606168315381,0.4470501050425936,0.49160738583186164,8.381615687316616,8.667398097521458,19.28957470856714,0.7929868630777369,1.5378181077059934 +UMLCN0195,L,2-isopropoxyethanol,CC(C)OCCO,Ethers,Alcohols,C5H12O2,Marquardt (2015),IQT,PubChem,,27.8,0,-0.539,0.29052100000000003,28.8034,18.405515999999995,0,0,19,7,12,0,5,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1245.4493749999988,1158.5892899999997,1303.3398139999988,983.293932,667.420199,547.8578340000001,134.18496,6.0963840000000005,0.0,2923.3709958465274,3522.8556221766257,4208.265933193464,3827.448885343365,3127.4416266187864,2384.7478368858406,1125.6436940959309,186.50246658558157,0.0,145.02758,140.48832000000002,248.84933600000016,282.4828320000001,214.45533200000014,201.89138400000013,158.40230400000002,40.310784,0.0,20.566262858187986,25.168475396000005,31.641979198791994,30.82838181818797,27.707951779036993,21.687016063885984,11.215664299037005,2.6676774290939997,0.0,3223.8861763459886,2709.9453550530507,5262.817745782443,6167.914422453988,4986.638913874088,4765.066086707537,3821.2802319179373,1109.505912145494,0.0,74.52777777777777,51.83333333333333,84.25,98.66666666666667,51.666666666666664,62.33333333333333,53.0,6.0,0.0,65.5499671052631,64.36607166666664,40.72936918749996,27.313720333333336,22.24733996666667,19.56635121428572,6.38976,1.016064,0.0,153.86163136034355,195.71420123203475,131.50831041229574,106.31802459287125,104.24805422062622,85.16956560306573,53.6020806712348,31.083744430930263,0.0,7.63303052631579,7.8049066666666675,7.776541750000005,7.8467453333333355,7.148511066666671,7.210406571428576,7.542966857142858,6.718464,0.0,1.0824348872730518,1.3982486331111115,0.9888118499622498,0.8563439393941104,0.9235983926345664,0.774536287995928,0.5340792523350955,0.44461290484899996,0.0,169.6782198076836,150.55251972516947,164.46305455570135,171.33095617927745,166.22129712913627,170.1809316681263,181.9657253294256,184.917652024249,0.0,3.9225146198830405,2.8796296296296293,2.6328125,2.740740740740741,1.722222222222222,2.226190476190476,2.5238095238095237,1.0,0.0,0.3763112255327796,-0.1412604049632218,-0.0864253031402601,0.0646587020209922,-0.055439282240850554,0.044426034296763894,-0.04629101781299874,0.03217565907318533,0.0,674.553890736842,-34.434908487534315,-94.9161917673128,-283.9310917119112,-12.673925005540205,49.163571861495726,-80.55902644598348,120.0746261883655,0.0,834.4666208125417,-132.3198135511936,-180.80007600693568,-90.24336655854336,-105.21929084417366,-143.1229140065301,89.82005582249184,144.65209473861452,0.0,1.9334661052631579,-0.13677631024930628,-0.5043963878116318,-0.2822229362880856,0.16124488642658985,0.18648447645429128,-0.5302673795013839,0.13920059833794887,0.0,3.5978126041745284,-0.9133547996849171,-1.1675615067848855,0.9070129188307914,-0.6285980215480411,-1.3026214072267748,0.8417310346102056,0.46448547971635934,0.0,20.19020201887976,-5.596339153092487,-7.217979838206888,7.1421800913997515,-3.615226399190549,-8.165813224374018,5.1017205796253995,2.2563569343988923,0.0,27.68421052631577,-4.803170206217297,-3.8175592489996903,-2.5683287165281588,1.5863342566943677,5.22853185595568,-11.418513388734995,1.9506001846722067,0.0,0.019805853975409453,-0.007847800275734543,-0.0027007907231331283,0.0017960750561386723,-0.0018479760746950185,0.001586644082027282,-0.0022043341815713687,0.005362609845530888,0.0,35.50283635457063,-1.913050471529684,-2.966130992728525,-7.886974769775311,-0.4224641668513402,1.755841852196276,-3.8361441164754035,20.012437698060918,0.0,43.91929583223904,-7.351100752844088,-5.65000237521674,-2.5067601821817598,-3.5073096948057887,-5.111532643090361,4.277145515356755,24.108682456435755,0.0,0.10176137396121883,-0.007598683902739238,-0.015762387119113493,-0.007839526008002378,0.005374829547552995,0.0066601598733675455,-0.025250827595303997,0.023200099722991478,0.0,0.18935855811444888,-0.05074193331582873,-0.03648629708702767,0.025194803300855315,-0.020953267384934703,-0.04652219311524196,0.0400824302195336,0.07741424661939322,0.0,1.0626422115199874,-0.3109077307273604,-0.22556186994396524,0.19839389142777086,-0.12050754663968496,-0.29163618658478635,0.24293907522025712,0.37605948906648207,0.0,1.4570637119113563,-0.2668427892342943,-0.11929872653124032,-0.07134246434800441,0.052877808556478924,0.1867332805698457,-0.5437387327969045,0.32510003077870114,0.0,-0.3962363998784507,-0.136363255353007,0.0906840501989282,-0.093304539000915,0.08010985459133584,-0.11129710358908156,0.2707588297979474,0.0,-0.05388444045494968,-0.08354631058503205,-0.22215055414185078,-0.0118994483323007,0.049456382432673696,-0.10805176460166227,0.5636856024176367,0.0,-0.16737747301148667,-0.1286451038923385,-0.05707651123909113,-0.07985805847622998,-0.1163846675186953,0.09738647749942084,0.5489314434485704,0.0,-0.07467159303131156,-0.15489558076447085,-0.07703832704725483,0.05281797344443618,0.0654488006019428,-0.24813764410184816,0.2279853231131983,0.0,-0.2679674677558547,-0.1926836444591812,0.13305341755732794,-0.11065392340107748,-0.24568307647929916,0.2116747751918752,0.4088235957764519,0.0,-0.2925798799980312,-0.21226511378775828,0.18669867362410839,-0.11340368877998248,-0.27444438346528166,0.2286179417555423,0.3538909757109801,0.0,-0.1831373515467306,-0.08187612220109845,-0.04896317420081675,0.036290663286861036,0.1281572514937535,-0.37317430140624086,0.22311998310097186,0.0,1.329338349143789,1.2388477617578644,1.244396891573572,0.5263235245288912,0.463280183646266,1.3807663352283297,0.81214155412573,0.0,1.1890588980575763,1.1512296415105185,1.2815732543706526,0.8069743723594679,0.7568165953981018,1.0105170622548902,0.0,0.0,1.595746771194223,1.1734736290517627,0.9244667967758529,1.0945503032050818,1.012567909669306,0.4883898446677989,0.0,0.0,0.9987534794343703,1.3448719079800397,1.4889839507210607,0.3507611528093967,0.5049930042657583,1.5104988278637472,0.0,0.0,1.8551855717414172,1.2655045868745851,0.71203348425446,1.1553036936784733,1.1253083973475433,0.25283626473436727,0.0,0.0,1.902243947907508,1.299778887742606,0.6769740488214969,1.1386102185871687,1.134371914286205,0.23213802927137622,0.0,0.0,1.1187684833122102,1.0305964828897345,1.0249524714828904,0.37385931558935387,0.7269486692015216,2.3530689842476935,0.0,0.0,26.10849880539296,13.304249402696474,20.572634347260248,26.46564166253581,3.7808059517908292,13.304254603778054,0.49999999999998934,0.06157836231779745,0.008796908902542493,-1.9512113118568013,26.200081225187244,3.7428687464553207,2.2860337576721625,26.122281925361538,13.310406541779464,20.583514901703282,26.478375609788245,3.7826250871126064,13.310411708799702,0.498531158197391,0.06163188290564481,0.008804554700806402,-1.9506031738925989,26.195627202323518,3.7422324574747883,2.2859147473140364,38.33971407037848,18.77086255713121,30.3009969266993,37.76972195886701,5.395674565552429,18.770862574295013,-0.7979889561160576,0.09451181716372203,0.013501688166246004,-1.6513212820642318,24.262095071597017,3.466013581656717,2.232240681216145,26.13674758469699,13.316868592567427,20.594934589682673,26.491740156438322,3.784534308062618,13.316873724081555,0.4969896004378622,0.06168799851278384,0.008812571216111977,-1.9499661163921096,26.190963651190902,3.7415662358844144,2.2857901167263894,51.27881031105346,24.557110891187598,40.65832111463917,49.732675647711844,7.1046679496731215,24.55711089123499,-2.1645885286782693,0.11238562463913604,0.016055089234162292,-1.5300734710599626,23.628504295209016,3.375500613601288,2.2137176546351607,27.552015945565053,13.94914215866083,21.71371143105642,27.799350496819773,3.971335785259968,13.949144777466913,0.34626837175660974,0.06691559148774373,0.009559370212534819,-1.8930262976684056,25.783550861459425,3.683364408779918,2.2748157075617432,23.233715241385106,12.170429049263985,18.547339626462577,24.024531567915723,3.432075938273675,12.170448052615791,1.107142857142863,0.039712010554735055,0.0056731443649621505,-2.258271122924578,28.636387933736035,4.09091256196229,2.348274750154602,0,11.996400532441287,15.998258482713187,-0.41832495667973935,0.0920954296045151,3.7479376744696937,6.59944297637983,6.0,18.0,18.0,18.0,6.0,0.0,0.0,0.0,0.0,0.0,15.034483999999997,3.4409285194069774,3.093301075668667,2.333552793103046,2.3023885496910292,1.545430656057594,1.1919680301158502,0.5955328974253834,0.08392307051869141,1.7702567347983311,1.559896822604217,1.2496297225843551,0.8536379680124923,0.5137226965996611,0.38836220687531403,0.08392307051869072,0.08392307051869093,3.370526436287646,3.0672179645152378,2.4054545878412883,2.1036466027030616,1.4766732225343338,1.1803577917920702,0.4553240219822376,0.27091390189293735,1.7551063855447557,1.5272776787499864,1.1345406859483518,0.8526193468972737,0.4140847916403147,0.32049011868386834,0.2709139018929365,0.27091390189293685,3.5711651764737633,3.2800917893703625,2.704236987233521,2.532765380981703,1.9323323802756585,1.7376005608706497,1.096306475049509,0.9439184268026224,1.5154742489149087,1.2555900572166454,0.7603185604308983,0.38243572994029745,0.08998020187528935,0.2941757696454148,0.9439184268026203,0.9439184268026215,3.366662905561478,3.076746093350658,2.457539916041693,2.075311350536898,1.5123315052189978,1.2022128378273722,0.4319497598123126,0.39927724550898247,1.7483834282780755,1.501626609749734,1.0582626705327118,0.8552704664583056,0.35882869701137243,0.24423998134914712,0.3992772455089813,0.3992772455089816,3.6085779311436554,3.343090200502679,2.8389820851496492,2.590280522323138,2.0626840100563144,1.9110639857569003,1.2083412724146132,1.2076448229620893,1.470283140131933,1.1922296476116232,0.6313372621875608,0.3024711194295656,0.23827908172139886,0.4596631644552844,1.2076448229620864,1.207644822962088,4.286992955546789,3.6022169846238548,2.9676077807834753,2.657839583124696,2.1227700333463284,1.5789745133878197,1.0973165271819936,0.6000000000000003,1.5555696585117609,1.333760144237861,0.8578395831246939,0.43714174318449117,0.1397087723567895,0.31030152342064427,0.5999999999999989,0.5999999999999994,0,0,0,0,0,4,1,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.23570226039551587,0.0,0.0,0.0,0.2886751345948129,0.20412414523193154,0.20412414523193154,0.16666666666666666,0.11785113019775793,0.05270462766947299,5.698670612749268,3.270055610029662,2.5360753753054386,1.1350278050148312,0.6123724356957946,0.4082482904638631,0.0,0.0,0.814095801821324,0.545009268338277,0.4226792292175731,0.2837569512537078,0.20412414523193154,0.20412414523193154,0.0,0.0,4.847025717526542,2.495305699386418,1.6431523996292348,0.5424715564486189,0.2884068880649889,0.10540925533894598,0.0,0.0,0.6924322453609345,0.4158842832310697,0.27385873327153915,0.13561788911215472,0.0961356293549963,0.05270462766947299,0.0,0.0,9.680565031548955,18.988346686088853,18.05098039215687,18.360000000000007,10.751805988023948,147.7358778443114,0.5095034227131029,0.9993866676888871,0.9500515995872036,0.9663157894736846,0.565884525685471,7.775572518121653,0.40370000000000006,28.17379999999999,15.404766864329481,24.29793304190391,30.809533728658963,4.401361961236995,15.40476742856848,0.07722462758314874,0.011032089654735535,-1.792725803875937,25.111161609085247,3.5873088012978926,2.256318703040721,47,1.0,0.0,2.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7433333333333334,0.0,13.13111111111111,0.0,0.0,3.6727893518518524,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7433333333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.29,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.8802777777777777,0.0,0.579212962962963,0.0,0.0,0.0,0.24273148148148138,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.190138888888889,0.0,4.940972222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7433333333333334,0.0,4.940972222222222,0.0,0.0,3.6727893518518524,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7433333333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3388888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9401388888888889,0.0,0.12319444444444438,0.0,0.0,0.0,0.24273148148148138,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.190138888888889,0.0,4.940972222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7433333333333334,0.0,8.190138888888889,0.0,0.0,3.6727893518518524,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7433333333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5611111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9401388888888889,0.0,0.4560185185185186,0.0,0.0,0.0,0.24273148148148138,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.190138888888889,0.0,4.940972222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.833333333333332,2.5476190476190474,0.7433333333333334,8.190138888888889,0.16666666666666674,0.12319444444444438,2.0586215277777775,1.3768055555555556,2.190138888888889,7.262222222222222,1.3768055555555556,2.190138888888889,7.262222222222222,3.16666,0.45238,0.0,0.04762,0.52807,0.91905,0.42174,0.52807,0.84167,0.10633,0.0,-0.10633,0.07738,0.49223,0.22206,0.0,0.42105,0.1579,0.0,3.75,0.53571,3.75,0.53571,0.0,0.0,-3.75,-0.53571,0.0,0.0,5.25216,0.75031,7.02591,1.77375,0.25339,2.44079,0.34868,3.27005,0.82926,0.11847,0.14395,0.02056,0.14395,0.02056,0.0,6.02,2,2,2,2,1,1,1.0,1.2674438038072338,2.034572365811466,2.905307776373747,3.115834092163221,3.1158340921632215,2.6686838275902116,24.08143227233744,38.65687495041785,55.20084775110119,59.2008477511012,59.20084775110121,50.70499272421402,0.29836756860753955,0.4789564698014676,0.6839353466317879,0.7334951178668696,0.7334951178668697,0.6282319599721327,2.9804837096363515,2.2133551476321194,1.342619737069838,1.1320934212803642,1.1320934212803637,1.5792436858533736,0.3039488248275076,0.4879158174566063,0.6967290239917616,0.7472158590587367,0.7472158590587368,0.6399836511848908,11.972549709172307,18.72571679854255,20.760336790819167,20.972510481766538,20.972510481766538,14.71354374225064,25.700029212929373,18.36899245926608,17.195222709458942,16.669779545903754,16.66977954590375,13.53972769389269,7.0,4.166666666666667,6.0,7,0,3,1.7899999999999998,0.9305000000000002,0.4999999999999999,1.1547005383792517,2.0,0.0,1.0,0.8164965809277259,0.0,0.0,0.0,0.0,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.259,0.614,0.621,0.528,0.233,3.179,6.0,4.0,3.0,2.0,0.0,0.0,0.0,0.0,0.0,28.0,1.9459101490553132,1.9459101490553132,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.0,0.0,0.0,0.0,0.0,3.367295829986474,1.0,0.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.5,6.0,1.0,0,3.0,5.0,0.6666666666666666,1.5,0.44444444444444464,0.25,0.16000000000000003,0.0,0.0,0.0,0.0,0.0,0.0,0.25,0.07407407407407411,0.0625,0.053333333333333344,0.0,0.0,0.0,0.0,0.0,0.0,0.43990740740740747,15.404766864329481,24.29793304190391,30.809533728658963,4.401361961236995,15.40476742856848,0.07722462758314874,0.011032089654735535,-1.792725803875937,25.111161609085247,3.5873088012978926,2.256318703040721,29.46,112.61683523125558,3.807354922057604,3.2188758248682006,3.8066624897703196,4.48863636973214,5.10594547390058,5.7899601708972535,6.418364935936212,7.10085190894405,7.734121303328305,8.415160465851086,65.07857894322815,2.5649493574615367,0.0,3.6109179126442243,0.0,4.795790545596741,0.0,6.042632833682381,0.0,7.321849713788356,7.653494909661253,104.083729624,5.478091032842105,12.670365275467146,1.8100521822095923,5.199368490610027,5.199368490610027,0.0,52.0,4.0,0.194,24.0,1.2199999999999998,2.0942200642740425,2.817785846338172,3.4397759457757155,4.25239246232629,5.162817010349689,5.413331234392351,0.0,0.0,0.0,90.6001784128333,94.46439624540672,87.54242897439912,93.60753353175791,100.4164992584161,35.0282089391673,5.5002909873416295,0.0,0.0,0.0,260.5725691165023,293.15323015319296,316.8631380249242,397.9721392885722,398.38719073555166,283.45160075480953,168.26660460982404,0.0,0.0,0.0,9.595452363333331,16.402934728967963,22.237903082107838,24.803368477037445,31.039872783203897,39.319958448198754,36.36927101834058,0.0,0.0,0.0,1.8062568094523337,2.157411848903381,2.4974764777937435,3.3901771128152065,3.4764463350991948,2.7674536181697533,2.406836925033006,0.0,0.0,0.0,181.856021810306,341.6108454312344,480.99819743967316,565.4481536631754,715.935738969737,939.6013297370214,1001.020501493363,0.0,0.0,0.0,3.624476851851851,5.749507569306667,8.151334336042673,6.341260188884381,10.540439048380676,13.713807434084439,5.413331234392351,0.0,0.0,0.0,0.4288991166666668,0.547467782374794,0.6294216163718251,0.7683530686794592,0.8499995169027866,0.7609829947106246,0.5543251184017767,0.0,0.0,0.0,353.90430669278356,299.7288535689572,16.4824784420955,129.44024412490313,-109.62561134053094,-25.227275985995878,224.46406256788043,409.3544649094882,41.70975442809137,0.7321988136497541,0.6201142705796475,0.03410088810189678,0.2678011863502457,-0.2268063458149562,-0.05219315277956114,171.0577181508683,144.87230809538784,7.966716138956854,62.56423665428302,-52.98694187150323,-12.193466379804994,0.24775921821738797,0.4644772203450485,4.401195931754888,17.87073603955777,407.6545353513678,75.69001546631893,0.8434036023820438,0.15659639761795624,479.2844041423637,21.89256504255186,7.825842426247656,603.8727331059835,24.573822110245356,8.452434358576983,768.4929455499206,27.721705314607192,9.159672833154351,1.663234973982145,1.5177389083711164,472.2396386041732,424.6370801196021,76.14623811676262,1.1121017469109469,6.201746143782455,5.576599588130194,3.870198821787039,3.6034606330810606,6.5414621829987025,0.8153277776773067,3.782243689107466,4.982662842588154,6.046037802035135,9.411735562783935,5.756186338567051,3.3625367740838317,4.688687018496982,7.819858534912637,3.5184299471927063,3.0379148572554175,1.0006558834012438,2.4364888150961974,8.703728805174823E-10,1.2860660717649636E-40,4.102402475984214E-93,2.573766751965678E-167,3.124173813635021E-263,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.33732279411559934,4.38185192032202,0.5475050372861993,2.2917905076627667,0.29033506278032456,1.9577887364435524,1.0045068753969908,0.6692367511897622,0.24210086982323847,0.07401084330391242,0.5393673323033993,0.20471032295340685,9.729718121990388E-11,1.4376670447963057E-41,4.585992099239812E-94,2.877161385041571E-168,3.4924502190743244E-264,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9694693312334299,3.7387597606849257,1.1763699094035236,2.9800534717241343,0.8495142132552485,1.4196874166341795,1.5918518282111649,1.3265816773199037,0.6321544200020071,0.35812441699528663,0.34121481939682946,0.3941453361777305,1.6854681743454762E-10,2.490454273111643E-41,7.944261963398778E-94,4.984073949349876E-168,6.049931799720059E-264,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7930876528935813,5.2545155304846,6.838753836488122,9.159334615325012,5.723134602040467,3.7786850130175105,4.526040053466258,7.246815450726437,3.4619473105240086,2.7429912542495702,1.0930174131605614,2.8245135955552017,1.0932205457586592E-9,1.615346724917133E-40,5.152769791041152E-93,3.232746578706453E-167,3.9240782792766405E-263,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.361918490958868,3.5545173749178742,1.4240020632742585,3.6597936097875405,1.2722395357875662,1.422022727701037,2.0132239945644104,2.0235965382764403,0.925934525120808,0.64842546435442,0.2958815995176301,0.44631240983467896,1.6689287087519948E-10,2.466015142388236E-41,7.866303954403141E-94,4.935164625416642E-168,5.990563083049015E-264,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.748237206544069,5.676455360960659,8.4727424449115,11.965917604598927,8.07594480603265,4.363258167082776,5.836808603330311,10.621217605574481,4.776103671475993,4.258941338810286,1.3534630278458835,3.557155121184627,1.2711872770332585E-9,1.8783108541062004E-40,5.9915950414416555E-93,3.759009068266828E-167,4.562883442070516E-263,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.4841171023769784,5.551841899018909,7.275764449326318,7.345588445550058,3.7351222045694645,6.438593789408895,3.315895988078084,4.17483710365907,2.923019736044813,1.217034869700068,2.063076506509904,4.100108593801782,1.880004926780769E-9,2.777902715011807E-40,8.861189348125905E-93,5.559336184245865E-167,6.748215437451647E-263,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.175425458501696,1.1517188682664319,0.5335819533586381,0.7124416427124767,0.1965147002636541,0.5800108078992178,0.47697525186359774,0.38031124378482817,5.860726280126766,7.651384359296746,16.078061583563052,0.568662464068715,1.4372973035476437,4.088527039105162,0.6120490178745367,0.1374122538974366,0.8450882425476356,0.1265089906270508,0.5574576935388225,0.1352935257409497,0.025624490545737004,4.837988310877135,3.1482957094437074,8.330141553160265,0.7676323638214534,0.7183757098255091,3.9022827196132055,0.8644071492885921,0.31029958064762964,0.768621396280334,0.1702597883801603,0.508627471138313,0.27121322162417494,0.1305273173660962,5.076989449549428,4.852262948776517,10.975942867334751,0.6529320944205012,0.9103680101285841,4.233942659974502,1.1084784060104802,0.505446257918897,0.7240148289048451,0.1895525915027925,0.596115671001408,0.44110089475396386,0.34118482322529947,5.847867323903879,7.393540746897502,15.613585639132463,0.5860222433572678,1.3784013889806712,3.8741851072866886,0.9840879825104705,0.3955437466991263,0.737403915639804,0.18730915316163713,0.50137383737919,0.3517531846174829,0.2116469588481666,5.253816836496285,5.734198546527778,12.49604134593416,0.606105873459706,1.0647739808448395,4.231738242806525,1.177718547070448,0.5555192401874586,0.7094308881507467,0.19743894043070057,0.5953824932667429,0.49776816715857464,0.41131207038543766,5.964976030064432,7.988853940639897,16.722424879462714,0.5641463322261201,1.5044627308107552,4.2782753777298215,1.1190087943124218,0.5115889459463093,0.7240425191573914,0.18937769892296233,0.6085684428516578,0.4494545302674341,0.34915816280888784,5.908873117988553,7.54861869271776,15.906686938464834,0.5860637787360872,1.4071811359279796 +UMLCN0196,L,dipropylene glycol monomethyl ether,OCC(C)OCC(C)OC,Ethers,Alcohols,C7H16O3,Marquardt (2015),IQT,UML,,43.9,0,-0.6412000000000002,0.4111374400000003,39.5171,25.394687999999977,0,0,26,10,16,0,7,0,3,0,0,0.0,0.0,0.0,0.0,0.0,1794.0098739999983,1735.6097409999993,2067.9663699999983,2041.2288409999978,1418.9254499999977,1280.797193999997,1037.2962319999986,421.2622290000003,78.77721600000001,4111.130554033266,5010.777993559671,6311.537729379456,6578.252662173101,5951.284202132386,4949.088980171448,4004.859172529242,2598.2145652115905,920.2849080036631,200.33418400000008,196.56713200000007,356.2734639999999,406.8667399999999,403.65926399999995,389.79724799999985,276.36039200000005,260.9809560000002,156.463488,28.565718477583978,35.09023263600001,45.59845847733902,49.70595627018803,49.742647319282064,41.84963387662105,33.03178992449,25.288588856130975,10.720880555282006,4402.596782425485,3755.9165588246515,7424.828273075589,8508.990012361988,8987.039324221234,9151.601194949923,6002.626270223291,6244.986396215132,4037.1931142378326,96.55555555555556,72.58333333333334,117.16666666666666,151.27777777777777,117.66666666666666,102.58333333333333,101.33333333333334,75.0,38.0,69.0003797692307,69.42438963999997,45.954808222222184,40.02409492156858,26.27639722222218,24.165984792452775,28.813784222222182,11.701728583333342,3.580782545454546,158.1204059243564,200.43111974238684,140.25639398621013,128.98534631711962,110.2089667061553,93.37903736172544,111.24608812581228,72.17262681143308,41.831132181984685,7.705160923076926,7.862685280000003,7.917188088888886,7.977779215686272,7.475171555555555,7.354665056603771,7.676677555555557,7.249471000000006,7.111976727272728,1.098681479907076,1.4036093054400005,1.0132990772742005,0.9746265935330987,0.9211601355422604,0.7896157335211519,0.9175497201247222,0.7024608015591938,0.48731275251281847,169.33064547790326,150.23666235298606,164.9961838461242,166.84294141886252,166.42665415224508,172.6717206594325,166.73961861731362,173.47184433930923,183.5087779199015,3.713675213675214,2.9033333333333338,2.6037037037037036,2.966230936819172,2.1790123456790123,1.9355345911949684,2.814814814814815,2.0833333333333335,1.7272727272727273,0.5411375174136179,-0.17765706077317456,-0.2108872395874532,0.2278220270314417,-0.1280972485209519,-0.0602337345335239,0.1345086383479921,-0.08156345589042943,-0.007627752906009755,949.2470738461531,-8.203830390533525,-87.62338911834385,-307.4312928520716,-308.57318583431936,307.6462996982257,-292.84653378698215,-65.33755309467374,221.6991908994092,1151.6600368432632,-184.66076074441796,-23.892112479634406,-240.46784593499933,-423.3302957511263,437.94274109577697,-418.93078969347243,-155.10294406671187,354.7765694224504,2.8502479999999997,-0.16717199999999813,-1.0584719999999954,0.18035600000000482,-0.5356960000000008,-0.11060800000000276,0.20919200000000046,-0.06736400000000325,0.04395199999999712,4.977650333840003,-1.5124410421439873,-0.3786306714449955,0.20902772639600253,-1.7240759378859947,1.3856538554689928,-1.2613384756539991,-0.8450663318210057,1.3931808110899901,28.04043693355151,-9.516101281274477,-3.049289972753485,3.5326535284002634,-9.299032153917683,6.427528089657088,-5.63557330981614,-4.886404762052292,7.225720027026498,32.948717948717956,-4.940006574621963,-8.4026955950033,4.412557527942141,-8.303747534516779,0.2348783694937584,4.318869165023009,-2.72386587771203,-2.0249835634450974,0.020812981438985304,-0.007106282430926983,-0.004686383101943405,0.004467098569243955,-0.0023721712689065166,-0.0011364855572363,0.0037363510652220024,-0.0022656515525119286,-3.467160411822616E-4,36.50950284023666,-0.32815321562134103,-1.9471864248520856,-6.028064565726893,-5.714318256191099,5.8046471641174655,-8.134625938527282,-1.8149320304076038,10.077235949973145,44.29461680166397,-7.386430429776718,-0.5309358328807646,-4.715055802647046,-7.839449921317153,8.263070586712773,-11.636966380374234,-4.3084151129642185,16.126207701020473,0.10962492307692306,-0.0066868799999999255,-0.0235215999999999,0.0035363921568628397,-0.009920296296296312,-0.002086943396226467,0.005810888888888902,-0.0018712222222223127,0.001997818181818051,0.19144808976307706,-0.060497641685759496,-0.0084140149209999,0.004098582870509853,-0.031927332183073975,0.026144412367339488,-0.035037179879277756,-0.02347406477280571,0.06332640050409045,1.078478343598135,-0.38064405125097905,-0.06776199939452189,0.06926771624314242,-0.17220429914662375,0.12127411489919034,-0.15654370305044832,-0.13573346561256366,0.3284418194102954,1.2672583826429984,-0.1976002629848785,-0.1867265687778511,0.08652073584200277,-0.15377310249105147,0.004431667348938838,0.1199685879173058,-0.07566294104755639,-0.09204470742932261,-0.34143510153792916,-0.22516635185986503,0.21463040181626855,-0.11397556260071152,-0.05460464953413744,0.17952022280783628,-0.10885761653868971,-0.01665864365461929,-0.008988158974865238,-0.05333368776268617,-0.16510946731061593,-0.15651591535487638,0.15899003581391521,-0.22280845548962708,-0.0497112228109387,0.27601679469782187,-0.16675684232354032,-0.011986464072104118,-0.10644760341328702,-0.1769842587513401,0.1865479641400208,-0.2627173959418265,-0.09726723976992095,0.3640669874903326,-0.06099780791004786,-0.2145643466814107,0.03225901608506833,-0.09049307418291466,-0.019037125296426188,0.053007005394306556,-0.01706931389050361,0.018224123910364758,-0.3160002367254079,-0.04394932815162849,0.021408324708708123,-0.16676756724282304,0.13656136449151313,-0.1830113840395971,-0.12261320967921692,0.33077582848937714,-0.3529454749930662,-0.06283111737640187,0.06422726673587532,-0.15967339554737583,0.11244928154475743,-0.1451523843568063,-0.12585645916608312,0.30454187732181304,-0.1559273670557718,-0.147346879953884,0.06827395030645197,-0.12134313301628494,0.003497051122042008,0.09466781957054322,-0.05970600951145693,-0.07263294422827478,1.3053151570502344,1.468385796891763,1.132672484873982,0.9029351798739857,0.8148668074776487,0.8560086648104038,0.7520882762376905,0.7715400800054373,1.1168014073560548,1.1512006130349606,1.2671956060971599,1.074277642663106,0.7078313584178767,1.2075874779540225,0.8660433216380157,0.4760089924228207,1.5771155194809008,1.045502543089679,1.0901905597317527,1.1789357451972502,0.6769470500320758,1.2473452324922025,0.9255259130189952,0.23457699531217163,0.9834063562188273,1.5060209965355063,1.3423276383902967,0.8863562697650123,0.7881677611582081,0.9710392842229085,0.6846909072083867,0.6792168132865501,1.8966544392660944,1.1039030768467701,0.9770071725869817,1.1875302681145432,0.6845243543521788,1.1834774369775065,0.9001094813375128,0.1211400200052374,1.9578689221904566,1.1428045552487034,0.9573622508061103,1.175704836822443,0.6920784653344144,1.1520056298124914,0.8812109458397073,0.1107991178782003,1.093450064850843,1.1596771869145412,0.9385252155336844,0.9964512177547197,0.7667082690942909,0.937319858769275,1.1275940337224382,1.3105765829501237,49.25186950169952,25.00093475084976,38.05339075867049,49.85186950169951,4.985186950169951,25.000934750908613,0.7499999999999964,0.010615985518639404,0.0010615985518639404,-4.545394346060226,43.782053026047166,4.378205302604717,3.779223985148879,49.27882779194353,25.0133122646198,38.073350901557134,49.87706518178039,4.9877065181780385,25.0133122646779,0.7477967372960705,0.010584009752487689,0.0010584009752487688,-4.54841093073305,43.77061992487701,4.377061992487701,3.778962814339358,73.25763047084553,36.030323518335734,55.91682207136443,72.30004372350629,7.230004372350628,36.030323518335734,-1.196983434174058,0.014473254570070204,0.0014473254570070205,-4.235452845172287,39.90915615212017,3.9909156152120167,3.6866057750666306,49.30712140057752,25.026302900617154,38.09430011331249,49.903508921102954,4.990350892110294,25.026302900674473,0.7454844006567853,0.010550450247824916,0.0010550450247824917,-4.5515867424517715,43.75866348078378,4.375866348078378,3.7786896156176875,98.73816202412588,47.74563961555421,74.96365293077788,96.14065578971191,9.614065578971193,47.74563961555421,-3.2468827930174626,0.03219456840431806,0.0032194568404318056,-3.4359575237560804,39.1139266072859,3.91139266072859,3.666478582789035,52.0768778822697,26.298140219952288,40.14688728814633,52.4923999283776,5.24923999283776,26.29814021996756,0.5194025576348729,0.007276677990309788,7.276677990309787E-4,-4.923080840931595,42.76885015851082,4.276885015851082,3.7558100375779384,47.581411885655484,24.50590334931715,37.57449282984014,48.702282889110506,4.87022828891105,24.505903349433854,1.5476190476190368,0.02170565530326124,0.002170565530326124,-3.8301824393358928,83.19250218950619,8.319250218950618,4.421157225851711,0,11.996320040049877,15.998702755620023,-0.40599286310945504,0.08024256641437233,4.065673911384828,7.119685697553459,9.0,25.0,25.0,25.0,9.0,0.0,0.0,0.0,0.0,0.0,21.323311999999994,3.518198691567255,3.2904719147705492,2.7355076826864897,2.5860859934948226,2.4293620353676726,1.788272007746293,1.5178069420107552,1.213408797451356,1.7805086254958067,1.6692940287595792,1.378271080169244,1.211332226132747,1.1702375825483589,0.5625428730340059,0.4833779024448762,0.37330342540412914,3.4329226498444507,3.2421573083960404,2.685867136773674,2.502361738124939,2.434742998444967,1.6938255638883726,1.446577119173108,1.1586658933044656,1.7889868760628242,1.640210618883353,1.3090032188671616,1.164419746620381,1.1017076606154805,0.530077584266335,0.39437356256604406,0.2802226408958088,3.630410418531982,3.435308535453875,2.9767511041558676,2.836672901269177,2.733888379829778,2.1259591561653997,1.9122774717716244,1.7069796683529486,1.555925662670855,1.3983346640798988,0.9593434719309596,0.7786837352209255,0.7345179779679041,0.03342097812611554,0.12627608320672792,0.3158337550172112,3.4208042904283325,3.24585135673332,2.7025097512135186,2.5094681317855554,2.4626327254975076,1.6897571481174742,1.4722330240399517,1.18345555725601,1.792653263193354,1.6246033668111746,1.2643500201196118,1.1390054410878723,1.051960858228169,0.5041474788383661,0.3400095378600637,0.20128265340768442,3.6577652678651376,3.4818191238316523,3.064702235210966,2.9142453326931417,2.839111593473484,2.223642198060684,2.041372552889721,1.8744388110364463,1.5214539676865277,1.346377244644568,0.8654077509863022,0.6874543699785336,0.6312184562088634,0.07184667763867947,0.2698655942317767,0.48568691576431683,4.288688375947471,3.6946802310977387,3.3989057315045095,3.0010051756403118,2.7583462585870953,2.2432821946497343,2.024041405975747,1.6847594803396428,1.6081463731136967,1.4713538680479266,0.9905646508056297,0.8478477109961762,0.8290308630302632,0.1707050475647226,0.08959044734645562,0.31059658050600636,0,0,0,0,0,4,2,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5773502691896258,0.0,0.0,0.0,0.3333333333333333,0.0,0.0,0.0,0.9855985596534889,0.6439505508593789,0.6380711874576984,0.4270947778583948,0.22807110122334662,0.23259338840388058,7.983127663125442,4.701907262607799,3.6041902811624302,2.546112076437508,0.9772838841927123,0.7214045207910318,0.4023689270621825,0.08333333333333333,0.7983127663125442,0.5224341402897554,0.36041902811624305,0.28290134182638976,0.16288064736545205,0.1202340867985053,0.10059223176554563,0.08333333333333333,6.832624277180031,3.4557528311735233,2.3728442146159954,1.274929602287237,0.4205211909532219,0.3010406554910404,0.10991311869120513,0.012422599874998832,0.683262427718003,0.3839725367970581,0.23728442146159953,0.1416588446985819,0.07008686515887032,0.05017344258184007,0.02747827967280128,0.012422599874998832,13.479019743537558,26.094683175528036,24.85098039215687,25.279999999999994,14.82915449101796,201.94690898203595,0.5184238362899061,1.0036416605972323,0.9558069381598796,0.9723076923076921,0.5703520958083831,7.767188807001383,0.41869999999999996,38.97079999999999,29.2310558926083,44.8898461984498,58.46211178521661,5.84621117852166,29.231055892609035,4.440892098500626E-16,4.4408920985006264E-17,-35.35050620855721,41.35014215789519,4.1350142157895196,3.7220758593814494,96,1.0,0.0,3.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6725779478458049,0.0,18.661771541950113,0.0,0.0,3.47641840579596,0.0,0.0,3.3214751039143926,0.0,0.0,0.0,0.0,0.6725779478458049,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.175408163265306,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.379080687830688,0.0,0.6058144368858654,0.0,0.0,0.0,0.01999999999999913,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.554551209372638,0.0,10.107220332577477,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6725779478458049,0.0,4.938424036281179,0.0,0.0,3.47641840579596,0.0,0.0,3.3214751039143926,0.0,0.0,0.0,0.0,0.6725779478458049,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.39401927437641726,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6365466742252457,0.0,0.06590702947845806,0.0,0.0,0.0,-0.08555555555555605,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.554551209372638,0.0,4.938424036281179,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6725779478458049,0.0,8.554551209372638,0.0,0.0,3.47641840579596,0.0,0.0,3.3214751039143926,0.0,0.0,0.0,0.0,0.6725779478458049,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6011111111111112,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9207284580498867,0.0,0.5399074074074074,0.0,0.0,0.0,0.10555555555555518,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.554551209372638,0.0,5.168796296296296,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.666666666666668,2.466666666666667,0.6725779478458049,8.554551209372638,0.0641666666666667,-0.08555555555555605,2.624265415721844,1.434092970521542,2.5545512093726384,11.323543083900228,1.434092970521542,2.5545512093726384,11.323543083900228,4.49999,0.45,0.0,0.05,0.54231,0.93,0.425,0.54231,0.87273,0.11731,0.0,-0.11731,0.05727,0.48387,0.23042,0.0,0.40741,0.22222,0.0,5.75,0.575,5.75,0.575,0.0,0.0,-5.75,-0.575,0.0,0.0,8.60781,0.86078,12.02764,3.41984,0.34198,3.35378,0.33538,4.70189,1.34812,0.13481,0.21211,0.02121,0.21211,0.02121,0.0,9.03,3,3,3,3,1,1,1.0,1.3001946428885267,2.1387720668284858,3.3825680832760763,3.5364142371222305,3.613337314045307,3.690260390968384,33.805060715101696,55.60807373754063,87.94677016517798,91.946770165178,93.94677016517798,95.946770165178,0.27661127912575834,0.45501531666793016,0.719628010592549,0.7523581726776819,0.7687232537202482,0.7850883347628146,3.400245075252566,2.561667651312607,1.3178716348650164,1.1640254810188622,1.0871024040957855,1.0101793271727084,0.2799816768123476,0.46055949612260466,0.7283963897771275,0.7615253557827731,0.7780898387855959,0.7946543217884188,12.300355002006462,20.505003994027756,23.75693771995168,23.911987724874763,24.83506464795168,24.91258965041322,36.93053298257309,24.380803039562274,20.84404936529071,20.32083714432422,19.07448035133602,18.866754219171323,10.0,5.76,5.530864197530864,10,0,3,1.9,1.2710000000000001,0.6694329500821695,1.8731847975721563,2.5751226567976713,0.0,0.33333333333333337,2.378414230005442,0.0,0.33333333333333337,0.0,0.0,0.0,0.47140452079103173,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.259,0.843,0.867,0.674,0.23199999999999998,4.309,10.0,9.0,6.0,6.0,4.0,1.0,0.0,0.0,0.0,55.0,2.302585092994046,2.3978952727983707,2.302585092994046,1.9459101490553132,1.9459101490553132,1.6094379124341003,0.6931471805599453,0.0,0.0,0.0,4.02535169073515,1.0,0.42857142857142855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.5555555555555556,9.0,1.0,0,4.0,7.0,0.75,2.5,1.1111111111111116,0.25,0.3200000000000001,0.16666666666666669,0.04081632653061225,0.0,0.0,0.0,0.0,0.2777777777777778,0.11111111111111116,0.027777777777777776,0.05333333333333335,0.02777777777777778,0.010204081632653062,0.0,0.0,0.0,0.0,0.507981859410431,29.2310558926083,44.8898461984498,58.46211178521661,5.84621117852166,29.231055892609035,4.440892098500626E-16,4.4408920985006264E-17,-35.35050620855721,41.35014215789519,4.1350142157895196,3.7220758593814494,38.69,155.99903118355002,4.321928094887363,3.6635616461296463,4.343805421853684,5.0689042022202315,5.777652323222656,6.505784060128229,7.221835825288449,7.949797216161852,8.668539943910762,9.395574350217172,77.59545498913269,2.9444389791664403,0.0,4.07753744390572,0.0,5.37989735354046,0.0,6.736966958001855,0.0,8.119398589612294,8.412499120301572,148.109944372,5.696536322,18.48393058452796,1.8483930584527961,7.96506801575266,7.96506801575266,0.0,141.0,9.0,0.040999999999999995,38.0,1.22956,2.101082703398159,2.8516565788698363,3.453614395561903,4.127123487784906,5.372645965648955,6.193348165893368,7.154229066346983,8.37534434106357,0.0,97.72984194583996,106.90731734499523,126.27133539683726,109.23827942156795,126.53837843083133,181.22977742057765,85.29984036643407,28.813586822880712,8.509885872558415,0.0,267.79933701453683,314.9872319878156,385.66312260558243,413.72105000540165,443.68204473756515,644.8995080196439,478.2268592362917,311.8011288742585,260.33706301865806,0.0,9.761002272319999,16.752087444672732,22.89750516064848,25.994719695451742,30.933517301988736,41.78306700400554,45.24814137572717,51.40120909471377,56.26944944303933,0.0,1.8189250359304794,2.2295149189162093,2.8634375810152854,3.333780125031329,3.5444712312920776,5.158184782511713,4.519792294652285,3.52834529074577,3.7237861765909077,0.0,183.12769888816274,343.57915071424446,473.9189677561786,570.6520551026807,703.8040806815334,889.2337934689585,1067.0865610687072,1311.7031795800685,1548.749010444056,0.0,3.6969799999999986,5.676428284736083,8.882098012185562,7.820884579969459,8.876501227568074,16.575661716565854,13.770597483657017,13.313196170169748,8.37534434106357,0.0,0.4396508640000001,0.572370286222663,0.7264880008853589,0.8033898537839818,0.8745069728567593,1.2746954334962806,1.102015119753722,0.901270873152859,0.8576352605249097,0.0,382.78418255907116,465.9832831554461,22.944638794279516,84.76303322465665,-103.18649074833264,-27.303803130012724,298.02114933441453,569.1697739037787,50.24844192429224,0.818707008911234,0.9966550273951259,0.04907448492836916,0.18129299108876584,-0.22069747667166809,-0.05839795898312563,178.96967880154392,217.8691866410893,10.727701985428697,39.63072018557184,-48.24455645587632,-12.765817133744482,0.172379097668857,0.32290730961448216,4.839177594667297,14.62169337042746,370.49852633827965,97.04868944544819,0.7924301842269129,0.2075698157730871,736.7257710911229,27.142692775241052,9.031681640657803,900.062244381893,30.00103738842864,9.655116419777015,1311.1214309269849,36.20941080612863,10.944963192786059,2.158709413326843,2.158709413326843,1096.6176501513803,1009.6227582287411,130.17999289438876,1.086165739840553,8.423857044154506,7.755590822990893,4.716511417922912,4.610697771358492,8.762533284212585,0.9004787818982983,4.897846094565993,6.696678778684105,9.654131999224852,17.328562036288407,10.751942646512925,11.444643785458853,9.710563420964517,7.047881456713354,9.108789691394866,5.522986912439005,6.110565526615646,4.531700677511415,5.494634518334482,0.7256138932838586,3.314615276457675,0.9973090750297927,0.007112591059251242,4.8041192308598246E-24,6.258628946493524E-67,1.572608201593087E-131,7.621452951789151E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.43094781274229726,6.349968203148417,0.8968740661123243,4.217535238257248,1.0955611850801505,3.6639101412409305,1.3347137170068017,1.3974029779477022,2.210012263359614,0.2625953279211755,1.9317878296979893,0.3106525266396452,2.6949243589864387,0.037402496108921775,0.3949066035753809,0.007239600139642591,7.950959066045176E-4,5.370426954815223E-25,6.996393715320907E-68,1.757986650487137E-132,8.519866889278731E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2717016169580257,5.234403456102287,1.833425541896098,5.389314325635498,2.143744921299334,3.132724099084128,2.489853945645158,1.4665258079503456,2.943283045602704,0.8596290343410858,2.0872355739169417,0.9581946230609516,2.0049431374941378,0.13616040595233542,0.6479081416472219,0.07344240449480373,0.0013773391896545585,9.303129543425096E-25,1.2119773272788556E-67,3.0453402835000124E-132,1.4758868527692669E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.846125394536215,7.2216404089616075,11.135660459466381,17.513588645992172,10.478667365062908,11.690577768940491,9.237815231676862,6.915748643851911,8.690707774008239,5.31159179157084,6.303781884591755,4.38137653431317,5.895826414243278,0.6688614756985484,3.415808569223969,0.8893267660367972,0.008933656960543442,6.0341520828949046E-24,7.861070277140608E-67,1.975254276426971E-131,9.57282781582732E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.807353162016067,4.870615862301284,2.1411337723696215,6.402245832049333,3.0337017554973045,3.6803750175003866,3.3875932001339066,1.8201045041888475,3.590228566874403,1.3402114842255368,2.346153706915758,1.4203546417884587,2.140985213198856,0.216307166631557,0.8444974499061639,0.15905964217693416,0.0013638282848990122,9.211836801573087E-25,1.2000840463400064E-67,3.015455988859469E-132,1.461403795554534E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.09548867631366,7.550779954005036,13.692614773408565,22.51553174189076,14.381225723054241,15.347004724321668,12.619031674833387,9.646007932992529,11.865743699314438,7.603179807780422,7.810677504817004,5.898671014183819,7.146140883242923,0.9530503816270173,4.550323016660892,1.4544853143189413,0.010388001924602574,7.016458558276518E-24,9.140782841653615E-67,2.2968081649607207E-131,1.1131199335473603E-217,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.220414966050031,7.756910585465,11.244379065004102,14.751245317110609,7.378914689785422,12.7138989841985,5.823715068242688,5.089307688178606,5.894183600650532,4.07071990423378,6.379515880952072,3.294660868199417,9.863831981608751,0.3374509375511887,3.837708554023713,0.36269524290281685,0.015363091025201982,1.0376897538656024E-23,1.3518638524426016E-66,3.3968337154410693E-131,1.6462338375864571E-217,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.193009440438185,1.319621542173322,0.5424232274457677,0.7943640395271236,0.1457331465456765,0.5877755889919271,0.4842928763618961,0.40623876017244,9.055054210057275,14.10949898230127,28.3132617027011,0.6915460592906856,1.4783072255262633,6.709168119343293,0.7331884609975612,0.1459874290335823,0.8841412712780241,0.09662035090815596,0.5045596157354625,0.1253882812210696,0.030135944075158284,7.5883440093744365,6.005575151110336,14.312043681444159,0.8262119069170363,0.6600838410316904,6.675095486093546,1.0227828843304616,0.313097676445814,0.8332437204954255,0.12767269285870603,0.5022521875153927,0.27849411015504283,0.13699575613847711,8.010976046869821,9.237361245790247,19.385909425416372,0.7498655807431382,0.9177420538089127,7.216340143514509,1.2746875680768173,0.5144200439798612,0.8013305211892597,0.1415462731753939,0.5893310080930119,0.4447661062331651,0.3672419230596104,9.005447755571188,13.566533916782651,27.30391512104174,0.7019957817838895,1.4013390373857875,6.739197599165482,1.147433130765403,0.3980327965142858,0.8134545932557835,0.13850087298086683,0.5151777399234126,0.3639824005489161,0.21975420301971127,8.284663526445172,10.87191628456703,22.234479302018766,0.7201818898836754,1.09891434349204,7.273906989477226,1.346693242974933,0.5657045000771088,0.7918207811809111,0.14659792834938404,0.6010605261914899,0.5043546358015376,0.4415967260654561,9.186304732529267,14.672433737621072,29.40022214353464,0.6877311717713668,1.5470118880584836,7.283642084765155,1.2913262426455496,0.5216906781671203,0.8006941977597515,0.14195610078972326,0.6010700621569564,0.4589610085143873,0.37642952784130573,9.096659005577825,13.879039208083254,27.882490231871365,0.7010412966396273,1.4364605985126493 +UMLCN0197,L,ethylene glycol vinyl ether,C=COCCO,Ethers,Alcohols,C6H12O3,Marquardt (2015),IQT,PubChem,,14,0,-0.40470000000000006,0.16378209000000005,22.997,13.978344000000002,0,0,14,6,8,0,4,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1097.1209979999992,965.8968169999999,901.2959439999997,697.815059,441.368974,274.92280500000015,49.441392,2.032128,0.0,2375.519116373476,2640.392254945221,2752.917725361068,2263.1227851453345,1735.7513267679694,1144.9286811394627,434.1825997761036,62.16748886186053,0.0,110.61320799999997,104.477276,162.09445600000004,167.47799600000008,103.742848,95.40399599999999,59.652287999999984,13.436928,0.0,15.998911238792003,17.925398156,19.722953124546994,17.440692394792,14.236269775396002,10.109506965094003,4.406144806244999,0.8892258096979999,0.0,2357.421212158992,1970.6608081114503,3292.479062591697,3641.9770652049924,2276.850403288446,2213.646255821144,1448.0793612264451,369.83530404849796,0.0,73.75,49.5,67.75,69.5,38.5,41.0,20.0,2.0,0.0,78.36578557142852,74.29975515384615,45.06479719999999,33.22928852380952,31.526355285714285,21.147908076923088,6.180174,1.016064,0.0,169.67993688381972,203.10709653424777,137.6458862680534,107.76775167358736,123.98223762628353,88.0714370107279,54.27282497201295,31.083744430930263,0.0,7.900943428571426,8.03671353846154,8.104722800000001,7.97514266666667,7.410203428571428,7.338768923076922,7.456535999999998,6.718464,0.0,1.1427793741994288,1.3788767812307692,0.9861476562273497,0.8305091616567618,1.0168764125282859,0.7776543819303079,0.5507681007806249,0.44461290484899996,0.0,168.387229439928,151.58929293165002,164.62395312958486,173.42747929547582,162.63217166346044,170.2804812170111,181.00992015330564,184.91765202424898,0.0,5.267857142857143,3.8076923076923075,3.3875,3.3095238095238093,2.75,3.1538461538461537,2.5,1.0,0.0,0.36717833082929174,-0.13317478115407205,-0.10517517314446724,0.08256793352417474,-0.04702187195732867,0.02401906457990827,-0.028155770978618853,0.023351433715757937,0.0,542.644766857143,-30.967731510203823,-215.26689879591822,-45.60448914285723,-62.91201028571433,20.703730489795767,6.856525653061034,55.86849016326523,0.0,629.630199204367,-111.01499882418508,-237.68045488198248,110.48752293596283,-141.22486681219243,-62.01166337481081,64.09022209199154,62.53913926303301,0.0,1.814294857142857,-0.2173252244897948,-0.7741669387755075,0.07575314285714416,0.0064239999999985,0.06496391836734522,-0.13940448979591905,0.07660816326530544,0.0,2.751818860053715,-0.8258347693384489,-1.0355760421874491,1.210445344,-0.6994972593422855,-0.5718163096673058,0.35916387150287754,0.18720573500575513,0.0,15.672802677253696,-5.174423037274147,-5.935927906187441,7.88857477014284,-3.9114867731494214,-3.5992398679315936,2.011013340710012,0.8850881350628947,0.0,27.303571428571423,-5.728316326530613,-8.880102040816327,-0.16964285714285832,0.24999999999999978,3.985969387755101,-4.459183673469387,1.3494897959183672,0.0,0.026227023630663697,-0.01024421393492862,-0.005258758657223362,0.003931806358294035,-0.0033587051398091907,0.0018476203523006363,-0.0035194713723273566,0.011675716857878968,0.0,38.76034048979593,-2.382133193092602,-10.76334493979591,-2.1716423401360587,-4.493715020408167,1.5925946530612127,0.8570657066326293,27.934245081632614,0.0,44.97358565745479,-8.539615294168083,-11.884022744099124,5.26131061599823,-10.087490486585173,-4.770127951908524,8.011277761498942,31.269569631516504,0.0,0.12959248979591836,-0.016717324960753448,-0.038708346938775375,0.0036072925170068646,4.5885714285703573E-4,0.004997224489795786,-0.01742556122448988,0.03830408163265272,0.0,0.1965584900038368,-0.06352575148757299,-0.051778802109372454,0.05764025447619048,-0.04996408995302039,-0.043985869974408134,0.04489548393785969,0.09360286750287757,0.0,1.1194859055181212,-0.3980325413287806,-0.2967963953093721,0.37564641762584955,-0.2793919123678158,-0.2768646052255072,0.2513766675887515,0.44254406753144737,0.0,1.9502551020408159,-0.44063971742543173,-0.44400510204081634,-0.008078231292517063,0.017857142857142842,0.3066130298273154,-0.5573979591836734,0.6747448979591836,0.0,-0.3905976552730692,-0.2005091668531922,0.14991431790594448,-0.12806276408285663,0.07044719897764018,-0.13419255733664406,0.44517887436636683,0.0,-0.06145800483150358,-0.27768963852702677,-0.056027431975417416,-0.11593590158453806,0.04108825239758872,0.022111924090508463,0.7206914265623285,0.0,-0.18988068594776503,-0.26424450197533306,0.11698668316267816,-0.22429811497391863,-0.10606510204102063,0.17813295614269078,0.6952874487189856,0.0,-0.12899918033120447,-0.2986928254849729,0.02783566025074147,0.003540769558325809,0.03856106551903889,-0.13446428301463742,0.2955733136462908,0.0,-0.32319006666327654,-0.2634269428319364,0.2932473406519624,-0.2541945145795793,-0.22378005637685525,0.22840775759410514,0.4762087229152526,0.0,-0.35554939938664337,-0.2651184743339922,0.335552610152776,-0.24957162121528226,-0.24731406073162535,0.22454652296172425,0.3953100841645959,0.0,-0.22593952809780155,-0.22766514061478096,-0.004142140832788344,0.00915631131458469,0.15721688383558885,-0.28580771746239375,0.3459777632439503,0.0,1.302250739909012,1.2933755258349782,0.9864863640890439,0.7623449369887002,0.5482593300815852,1.1056346207530527,0.42086942184327003,0.0,1.0318947536214118,1.2816202936092969,1.0453378500961656,0.9309728815991887,0.7794825654540117,0.8542467231781765,0.0,0.0,1.3997781397179359,1.1983550524228306,0.6888212512949294,1.2489894749771415,0.9875106081902545,0.5058807877329242,0.0,0.0,1.0382127208177845,1.487222702184808,1.1706642318232934,0.5420870320023581,0.5707142893138174,1.020790938533853,0.0,0.0,1.6940655255575228,1.228641210933858,0.465146684259732,1.3188260878675775,1.0545436767921397,0.30795131889709343,0.0,0.0,1.7529005364444477,1.2527821944942032,0.43191206166122026,1.2983384334226837,1.0493953639489668,0.2834522552747968,0.0,0.0,1.1445389143230873,1.1992478744277308,0.9777632439502945,0.5994113799869196,0.7965990843688687,1.6069326357096143,0.0,0.0,18.274494564547705,9.38724728227385,15.269301324675396,18.607827897881037,3.1013046496468397,9.387508950946042,0.49999999999999645,0.09740189605605953,0.016233649342676588,-1.397345761097079,21.27497769516395,3.5458296158606584,1.8345189756317786,18.28647766385902,9.392504411028199,15.278363298849223,18.61883176932394,3.103138628220657,9.392764597136916,0.4985311581973768,0.09733043345665537,0.016221738909442562,-1.3977861354476002,21.261555915696302,3.5435926526160504,1.834140333214814,28.88879857825755,14.045404811070751,23.388815403816285,28.35680594084685,4.726134323474475,14.045406732974941,-0.7979889561160469,0.05848653205759757,0.009747755342932929,-1.7033752634921713,17.546655574630833,2.9244425957718057,1.718918019722312,18.299054097331847,9.39802184888486,15.28787438741871,18.63038049762376,3.1050634162706268,9.398280488160319,0.4969896004378711,0.09725553810004028,0.016209256350006713,-1.3982480106365323,21.24753933985805,3.5412565566430083,1.8337446557365153,40.09115764543476,18.963284558378223,32.04270999936513,38.648098626315885,6.441349771052648,18.96328457096617,-2.1645885286783155,0.04093412508773997,0.006822354181289995,-1.917474725753943,16.91852072119136,2.8197534535318933,1.6970453535182837,19.52915923289035,9.937713802323472,16.220080694143764,19.760004814061418,3.2933341356769024,9.937858430436796,0.3462683717565955,0.09042027059606428,0.015070045099344046,-1.4419720826777722,20.151790202669876,3.3586317004449793,1.8019758769507632,19.85175406809357,10.306829414999164,17.400394261331495,20.359690576030076,3.3932817626716787,10.306947369246238,0.7619047619047592,0.19943207018709708,0.03323867836451618,-0.9673689605705501,18.51197102496464,3.0853285041607736,1.751050563148341,0,11.996461445791219,15.998258075020924,-0.4182787711993181,0.0925382033541424,3.69009804900878,5.602767764277458,5.0,13.0,12.0,12.0,4.0,1.0,1.0,0.0,0.0,1.0,10.661655999999999,3.392856708756469,3.0256526475511993,2.2581071245654694,1.4673495009409019,1.1639925166617564,0.5835607124594646,0.08392307051869136,0.0839230705186913,1.6580669725203088,1.469237370244635,0.8417853705753114,0.45084266463367983,0.38791353348584034,0.08392307051869088,0.0839230705186913,0.08392307051869136,3.298994774782633,3.0013187433607045,2.073601103471038,1.3695819702618706,1.173613354022282,0.4546290475364006,0.27091390189293746,0.2709139018929372,1.675024179037487,1.4234765096579247,0.8283700913217474,0.3575841220286634,0.30311637309071465,0.27091390189293685,0.2709139018929372,0.27091390189293746,3.509576944718075,3.193713075044178,2.4942311264912576,1.8564712644941155,1.715357781140187,1.0958240804718387,0.9439184268026222,0.9439184268026221,1.4252853227039222,1.1774565904723213,0.35996288111732005,0.18232847925632495,0.2961197411480866,0.9439184268026205,0.9439184268026221,0.9439184268026222,3.2847765522579127,3.0130155969163477,2.0495584423088675,1.4017175970971654,1.2000411597857819,0.4319452653194594,0.39927724550898214,0.3992772455089819,1.6819812649610932,1.3976477440832051,0.8215591156237237,0.30605038522248246,0.2169508343339467,0.3992772455089818,0.3992772455089819,0.39927724550898214,3.5368022429100088,3.2517396948102477,2.5589535069269753,1.9876207390382965,1.8950008482720884,1.2083412723695606,1.2076448229620882,1.2076448229620877,1.3907897627783814,1.1161579773185353,0.27505548880051356,0.33589364800623694,0.46464753776486606,1.2076448229620875,1.2076448229620877,1.2076448229620882,3.827142220386388,3.5262445316371505,2.776227657644222,1.9149145815535067,1.4633803895259943,0.9541857657871432,0.5000000000000003,0.5,1.5566624006810612,1.1900630560009238,0.552371839710636,0.08188668951055218,0.16888883936876617,0.49999999999999944,0.5,0.5000000000000003,0,0,2,0,0,2,0,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.82842712474619,2.914213562373095,1.7071067811865475,0.9571067811865475,0.5,0.25,0.0,0.0,0.8047378541243649,0.5828427124746189,0.42677669529663687,0.31903559372884915,0.25,0.25,0.0,0.0,3.554132498713089,1.7488534514710299,0.7610642763152438,0.3269893533130436,0.13603796100280632,0.037267799624996496,0.0,0.0,0.5923554164521815,0.349770690294206,0.19026606907881094,0.10899645110434786,0.06801898050140316,0.037267799624996496,0.0,0.0,7.5969094239772055,14.212672978878366,13.600000000000005,13.840000000000005,8.154697005988021,108.42206227544912,0.5426363874269432,1.0151909270627404,0.9714285714285718,0.988571428571429,0.582478357570573,7.744433019674937,0.06498999999999995,22.964799999999997,12.109311503912984,19.57341311905074,24.21862300782597,4.036437167970995,12.109325540282487,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,18.981177982793387,3.1635296637988977,1.7660687134087372,38,1.0,0.0,2.0,2.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,2.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7880555555555555,0.0,12.52111111111111,4.566666666666666,0.0,3.543513695987654,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7880555555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5285416666666667,0.6240972222222223,0.0,0.0,1.1912500000000001,0.0,0.0,1.152638888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.264861111111111,0.41222222222222227,0.0,1.3018055555555557,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.024583333333332,0.0,4.496527777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7880555555555555,0.0,4.496527777777778,1.3018055555555557,0.0,3.543513695987654,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7880555555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5285416666666667,0.6240972222222223,0.0,0.0,0.5867361111111111,0.0,0.0,0.5285416666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.264861111111111,0.06152777777777785,0.0,1.3018055555555557,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.024583333333332,0.0,4.496527777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7880555555555555,0.0,8.024583333333332,3.264861111111111,0.0,3.543513695987654,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7880555555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5285416666666667,0.6240972222222223,0.0,0.0,0.6045138888888889,0.0,0.0,0.6240972222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.264861111111111,0.3506944444444444,0.0,1.3018055555555557,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.024583333333332,0.0,4.496527777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.5,2.9166666666666665,0.7880555555555555,8.024583333333332,0.3680555555555556,0.06152777777777785,1.6014225000000002,1.4384722222222222,2.024583333333333,6.571944444444444,1.4384722222222222,2.024583333333333,6.571944444444444,2.66666,0.44444,0.0,0.05556,0.58095,0.95556,0.42,0.54583,0.86191,0.16095,0.03512,-0.12583,0.09365,0.46511,0.24918,0.0,0.3125,0.0,0.0,4.75,0.79167,3.25,0.54167,1.5,0.25,-1.75,-0.29167,0.0,0.0,2.66341,0.4439,5.31294,2.64953,0.44159,1.53399,0.25566,2.91421,1.38023,0.23004,-2.1E-4,-4.0E-5,-2.1E-4,-4.0E-5,0.0,5.02,2,2,2,2,1,1,0.5,1.3787834934861756,2.7534343861887853,3.09306920777189,3.378783493486176,3.378783493486176,2.834875647477947,19.30296890880646,38.54808140664299,43.30296890880646,47.30296890880646,47.30296890880646,39.68825906469126,0.3621368434811014,0.7231882612879049,0.8123931892591476,0.8874359135554887,0.8874359135554887,0.7445787706983459,2.428571428571428,1.0539205358688184,0.7142857142857135,0.42857142857142794,0.42857142857142794,0.9724792745796567,0.3621368434811014,0.7231882612879049,0.8123931892591476,0.8874359135554887,0.8874359135554887,0.7445787706983459,13.076372916623269,21.313725423978678,23.22632860862327,23.514278617766127,23.514278617766124,15.900951762691887,22.500867502504285,16.193501529571623,14.28971465482653,13.82836898507933,13.828368985079328,10.021014063021726,6.0,5.0,5.333333333333333,6,3,2,1.68,0.7466000000000003,0.0,1.3103706971044482,0.0,0.0,1.6509636244473134,0.0,0.0,0.0,0.0,0.0,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.259,0.6189999999999999,0.637,0.607,0.375,2.8009999999999997,4.0,3.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,21.0,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.0,0.0,0.0,0.0,0.0,3.295836866004329,1.2380952380952381,0.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.6,4.0,0.8,0,3.0,5.0,0.6666666666666666,0.5,0.22222222222222232,0.125,0.08000000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.05555555555555558,0.041666666666666664,0.04000000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.23722222222222225,12.109311503912984,19.57341311905074,24.21862300782597,4.036437167970995,12.109325540282487,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,18.981177982793387,3.1635296637988977,1.7660687134087372,29.46,92.68439190458896,3.584962500721156,2.9444389791664403,3.4965075614664802,4.07753744390572,4.653960350157523,5.241747015059643,5.82600010738045,6.415096959171596,7.002155954403621,7.591357046698551,58.24880141741002,2.3978952727983707,0.0,3.295836866004329,0.0,4.343805421853684,0.0,5.459585514144159,0.0,6.608000625296087,6.996681488176539,88.052429496,6.289459249714286,10.839150429449553,1.8065250715749255,5.168655300614686,5.168655300614686,0.0,35.0,3.0,0.11499999999999994,18.0,1.2089230769230768,2.1105070532162538,2.8179070103405244,3.5628659103016447,4.756676621260581,5.5946021275294795,6.368751883824423,0.0,0.0,0.0,101.60673155499997,103.46029705539665,111.99444133292194,141.0921387897561,117.9865869726037,38.126844030945335,6.471059514086178,0.0,0.0,0.0,264.41151062607577,303.94999018880213,331.26705654482896,511.8857636972125,449.3288057449672,316.5199997888443,197.96465590080402,0.0,0.0,0.0,9.801221210153845,17.202768424014117,22.705796607021927,26.808840826469186,35.200748846648665,42.33117016183317,42.78823025640657,0.0,0.0,0.0,1.7450658943739998,2.137912544519665,2.4617559078421323,4.01937442809897,3.8348501510055493,3.1144490291861198,2.8316292753297176,0.0,0.0,0.0,181.71505441974597,345.52779538983077,487.05449186766697,565.9152380781558,804.414347046433,1012.1078011848501,1177.694644681825,0.0,0.0,0.0,4.773096153846153,7.398619123983043,10.11768474106656,11.108180861373743,16.495327966363803,15.128499220650225,6.368751883824423,0.0,0.0,0.0,0.43532243076923083,0.5721183332572908,0.641503218000613,0.9438374296104621,0.9582513277998526,0.8376375095134273,0.6521601929036209,0.0,0.0,0.0,306.93186783477853,251.87590424727827,19.840640741978266,126.18039996033681,-103.54676613573804,-26.786444091767724,180.75146787444172,355.42267038301634,46.62708483374599,0.7086658371449622,0.5815487645490306,0.0458094637747918,0.2913341628550376,-0.23907604063693028,-0.06184642201000665,132.9359573365116,109.09054409148405,8.593224906266368,54.65027917811617,-44.847374703899966,-11.60153754675259,0.2556987432949412,0.47933883970193186,5.113548267116468,18.38793194022267,356.4979532277099,76.61431456740556,0.8231074936818735,0.1768925063181265,442.57143738549,21.03738190425534,7.620692899664532,529.0485589027759,23.001055604097303,8.087826854645078,636.9657171896572,25.238179751908756,8.604098088278267,2.2723877700515804,2.2723877700515804,383.93794407942295,366.2421350471554,24.35427520328409,1.0483172397135276,15.764704179233807,15.03810448022567,3.2798198151161837,3.6034606330810606,6.737142553879871,0.8696312350495763,2.9116314187958054,1.9063557969957754,5.6696489910071,5.578535987669042,0.826588612976738,2.3248232999248675,2.2829604705004622,3.9872900460646106,4.014931240305566,0.032477905215652414,1.5663982171049162,1.000853660505154,9.983529458561487E-4,5.323144008058772E-26,5.474295477302278E-70,1.0858358076562099E-135,4.154090832719189E-223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2642731252605939,2.200990108766553,0.5425459625775121,0.9319661449284027,0.005826424315200838,2.3447661258753576,0.1903445837326099,0.3942123088433309,0.18565218141335688,0.0027261326673241725,0.3581036222730872,0.007460089556017287,1.1160383990665931E-4,5.950634172776179E-27,6.119603318977005E-71,1.2138337143013707E-136,4.643773459551714E-224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7336183365133198,1.6531241049825327,1.1508021130283113,1.1997174715040066,0.06067231561937807,1.6204004927985853,0.6152780346699207,0.6302159040803157,0.6973134309502985,0.008798886995504098,0.2840016743398965,0.07392884842354659,1.9333006318679737E-4,1.030821590920816E-26,1.0600919239720593E-70,2.102710340040467E-136,8.044355956799983E-224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.971302607638056,2.1998528461468094,6.49036026825296,5.455541793289901,0.7364919290129665,2.9214171012722363,2.1540688250345297,3.7877318502076935,3.6849974268635886,0.03065664375370023,1.5139898052106966,0.893174986939077,0.0012539683562865366,6.686066469259927E-26,6.875918325373232E-70,1.3638500806480155E-135,5.217692285772398E-223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0143101079093229,1.4449293500732643,1.371513286943936,1.5636057817130538,0.13177812179072648,1.4495697606206126,0.9076389183449509,0.9211509423428063,1.1287143673517797,0.012967716986238055,0.33432795809780463,0.15968525283165735,1.9143289237205514E-4,1.0207060132588323E-26,1.049689112971368E-70,2.0820761876976398E-136,7.965415713271554E-224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.6968443841153222,2.0922519131851023,7.914000101206332,7.492346691905067,1.205501902102115,2.8381638504961497,2.7610777863463634,5.545327236315118,5.3449720691100175,0.03922177813626728,2.2188795742533505,1.4596592530070256,0.0014581032931207964,7.774498828497569E-26,7.995256884033974E-70,1.585872785290747E-135,6.0670863428745416E-223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2109983263471737,2.216060917744145,5.1097047278314625,3.2433227048087288,0.20668634714141887,4.817037058270195,1.0068220278849636,2.0865020159200207,1.7813342928394365,0.012803873474136836,1.514061623653899,0.25511813446852555,0.0014975294099628242,7.984716012088158E-26,8.211443215953417E-70,1.6287537114843147E-135,6.231136249078783E-223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.606640731415657,0.7722248358333736,0.23595600000000005,0.8204429430644704,0.1375332816162355,0.5595593938272924,0.5618000416140887,0.28571428571428586,5.614821567249031,4.826537986346601,11.280740551935146,0.7306644145967057,1.407073721155667,4.151731598935351,0.2512777735295918,0.03779323850816063,0.9349056831926136,0.05658386457184366,0.4535596657144037,0.059281180654475116,0.007329901214382033,4.440802610973103,1.2096418558401614,5.689871804548379,0.9023585247889203,0.5201707475832609,4.253636929081,0.46202226204365204,0.11780220072996143,0.8800394963843637,0.09558828023789649,0.4774098196732741,0.20106856797255046,0.07121585829488247,4.833461391854613,2.520789986493371,7.585765093190882,0.8200592445765456,0.749694245940707,4.593206874366132,0.7286426359351941,0.21939047166137127,0.8289131835685677,0.13149450994849535,0.5558629166457362,0.49994015932176317,0.24700482039479185,5.541239981962697,4.514369438509637,10.789866847302802,0.7433697753528515,1.3028078963622913,4.334628988324987,0.5770456343592212,0.1617431111677015,0.8543804621887484,0.11373903444002605,0.49636473179841956,0.31321741032550976,0.13425222445420804,5.073417733851909,3.2957082687962513,8.773690607028195,0.7815706932831226,0.9438343665781374,4.654482142485879,0.8040631456464388,0.24809277184206996,0.8156259593773446,0.14089962201844067,0.5710403693485243,0.6090118596455653,0.3158625431758893,5.706638059974388,5.096723183600589,11.731847835071804,0.7234389390660171,1.4959147721699788,4.668481048270805,0.7378005344654518,0.2237054627539503,0.8292170142754417,0.13104835384238633,0.5742670391544347,0.512620908911283,0.2568165952437974,5.629987045490207,4.653822535800207,11.054342424911582,0.7438255214131625,1.343704543309515 +UMLCN0198,L,propylene glycol monomethyl ether acetate,CC(COC)OC(=O)C,Ethers,Esters,C6H12O3,Marquardt (2015),IQT,PubChem,,24,0,-0.12050000000000026,0.014520250000000063,33.040699999999994,20.96751599999999,0,0,21,9,12,0,6,0,3,0,0,0.0,0.0,0.0,0.0,0.0,1645.6814969999987,1538.8973639999997,1877.5737809999982,1549.1346549999987,1435.5411989999984,933.3289269999998,445.5158860000006,121.02350400000002,9.144576,3563.2786745602143,4161.03761207332,4950.874384358739,4917.602457849277,4674.104182041045,3735.7711706776417,2062.507011155433,934.4605900995122,279.75369987837234,165.91981200000004,158.20255200000003,281.33065200000004,289.12183600000003,273.79254000000014,268.0059880000001,228.58393600000014,71.119296,60.46617599999999,23.998366858187985,28.42593172000001,34.49678406449,35.366751766245,35.674562832188016,30.64751858709399,19.743886604375994,8.285569817999999,4.001516143641,3536.1318182384884,2984.5702828998005,5824.058653695891,5830.462972309446,5944.098433273289,5659.652407141494,5733.081806314127,1474.28811636585,1664.258868218241,104.30555555555556,64.75,116.80555555555556,115.91666666666667,98.16666666666669,118.83333333333334,57.5,33.0,9.0,78.3657855714285,76.94486819999999,53.644965171428524,44.2609901428571,39.87614441666662,27.450850794117642,13.922371437500018,13.447056000000002,1.016064,169.67993688381972,208.051880603666,141.4535538388211,140.5029273671222,129.8362272789179,109.87562266698946,64.45334409860727,103.82895445550135,31.08374443093026,7.900943428571431,7.910127600000001,8.03801862857143,8.260623885714287,7.605348333333337,7.882529058823533,7.143248000000004,7.902144000000001,6.718463999999999,1.1427793741994279,1.4212965860000004,0.9856224018425714,1.0104786218927144,0.9909600786718893,0.9013976055027645,0.6169964563867498,0.9206188686666665,0.444612904849,168.38722943992803,149.22851414499002,166.4016758198826,166.58465635169844,165.11384536870247,166.4603649159263,179.15880644731646,163.80979070731667,184.917652024249,4.966931216931217,3.2375,3.3373015873015874,3.311904761904762,2.7268518518518525,3.4950980392156867,1.796875,3.6666666666666665,1.0,0.42010937740322124,-0.18992056279097932,-0.014540755359602297,0.026955190818352754,-0.0617762377631216,0.022825695990106493,0.02560118975320664,-0.03500196868336703,0.015802759333793687,813.9671502857142,12.91223248979595,139.110242,-472.3568224285715,57.21902636734687,-574.1224780816325,514.0569597551018,-335.21094097959184,251.4082057346938,944.4452988065511,-199.07941275264156,112.56133178607897,-226.74593580666215,10.925019341190932,-731.1487278068066,655.0737847301154,-375.23483557819804,281.42612668364853,2.7214422857142853,-0.07749322448979515,0.022403428571431218,-1.0680702857142794,-0.25172163265306263,-0.2716875102040799,0.4007603265306059,-0.459648979591836,0.34473673469387445,4.127728290080571,-1.6966184453384434,0.008631379013429169,0.48403577279528637,-0.45871123866154995,-2.250723425063306,2.130330414722933,-1.1232344100345302,0.8424258075258956,23.509204015880556,-10.687179695524183,-0.8334355544722893,4.8101391170167105,-3.5215005715829824,-10.49708992015615,10.302096819372958,-5.310528810377382,3.982896607783047,40.865079365079325,-2.2908163265306123,9.623015873015877,-19.075396825396826,0.9574829931972788,-12.517006802721088,10.77834467120182,-12.81122448979592,4.903061224489797,0.02000520844777244,-0.009496028139548966,-4.154501531314942E-4,7.701483090957929E-4,-0.0017160066045311556,6.713439997090145E-4,8.000371797877075E-4,-0.003889107631485226,0.0017558621481992985,38.760340489795915,0.6456116244897976,3.974578342857143,-13.4959092122449,1.5894173990929685,-16.88595523769507,16.064279992346933,-37.24566010884354,27.934245081632646,44.97358565745482,-9.953970637632079,3.2160380510308277,-6.4784553087617756,0.3034727594775259,-21.504374347259017,20.471055772816108,-41.692759508688674,31.269569631516504,0.12959248979591834,-0.0038746612244897572,6.400979591837491E-4,-0.03051629387755084,-0.006992267573696184,-0.007990809123649408,0.012523760204081434,-0.05107210884353733,0.03830408163265272,0.19655849000383674,-0.08483092226692217,2.466108289551191E-4,0.013829593508436754,-0.012741978851709721,-0.06619774779597959,0.06657282546009166,-0.12480382333717002,0.09360286750287729,1.1194859055181217,-0.5343589847762091,-0.02381244441349398,0.13743254620047743,-0.09781946032174951,-0.30873793882812206,0.3219405256054049,-0.590058756708598,0.4425440675314497,1.9459561602418727,-0.11454081632653061,0.2749433106575965,-0.5450113378684808,0.026596749811035523,-0.3681472589035614,0.3368232709750569,-1.4234693877551023,0.5447845804988662,-0.47467779025348467,-0.02076709943893407,0.03849738987256332,-0.08577799171706361,0.03355846061097993,0.039991444321930615,-0.19440475422380685,0.08777025007179128,0.016656500338529327,0.10254240010877856,-0.3481886134565264,0.041006280621074524,-0.4356503328999518,0.41445146738522665,-0.9609219020831065,0.7206914265623297,-0.22132926454758026,0.07150948726939538,-0.14405022890781907,0.0067477999594907166,-0.4781556558787403,0.45517953424340374,-0.9270499316253136,0.6952874487189852,-0.029898809958752673,0.004939313691648123,-0.2354788763269211,-0.05395580858665171,-0.06166105100869115,0.09663955236760861,-0.39409775152839066,0.29557331364629086,-0.4315810640652882,0.001254643485256248,0.0703586678355476,-0.06482538022886217,-0.3367839659059623,0.33869219008953616,-0.6349449638870033,0.47620872291525135,-0.47732533490798756,-0.021270874689997173,0.12276398079069227,-0.08737891190910224,-0.27578546304719365,0.28757890029567107,-0.5270801122194624,0.39531008416459784,-0.058860943872596674,0.14128957079044493,-0.2800738007380077,0.013667702466498361,-0.18918579278672062,0.17308882792775324,-0.7315012623810457,0.27995727325694336,1.4567498796955396,1.3244760927173178,1.278494781416254,1.0435391360033506,0.7954260331898128,0.5544684668017524,0.8140052395796085,0.008898854774162135,0.9412620813150363,0.9261733176030251,1.4252226123357783,0.8655805963933316,1.3990544891013184,0.40438226439416164,1.9118793628470336,0.0,1.5214075064550248,0.8846314556321312,1.0729400098417639,0.999481482184326,1.4104739855693362,0.31770391325406033,1.8836527207988718,0.0,0.8096647911905539,1.1681352156965505,1.6214020128822448,0.8285577960108736,1.1078022913900276,0.49136904611924276,1.439525904051437,0.0,1.919241081863788,0.9649755068206142,0.8857785637738573,1.0881917430690138,1.2832072040051756,0.28977346800327486,1.6402319143502808,0.0,1.9864108863659808,1.0022379654001243,0.8660270476337876,1.1024918731428135,1.2323030410105626,0.29191859835459716,1.5503445379606626,0.0,0.6477956884832012,0.6410953583220049,1.4373664789279486,0.8207904447465534,1.6417808140929724,0.34475747718003524,3.099630996309966,0.0,37.235663914491724,18.992831957245855,28.69078753325979,37.818997247825045,4.202110805313895,18.99283198075899,0.7499999999999893,0.10036683412775543,0.011151870458639492,-2.069031117303784,91.30584656705096,10.145094063005663,4.062793340186667,37.25894877635297,19.00337275682453,28.707813102562927,37.840568460916586,4.2045076067685105,19.003372780078205,0.7477967372960848,0.10036226574312851,0.011151362860347612,-2.06907208342347,90.97063612772789,10.107848458636433,4.059483097076465,57.9659651634791,28.384490864652513,43.97055997922398,57.03497804801037,6.337219783112264,28.384490864653884,-1.1969834341740757,0.08960484322015932,0.009956093691128813,-2.1711113159991164,42.671269875998796,4.741252208444311,3.378173271435691,37.283387000063,19.014435700359904,28.725682568987743,37.86320820057385,4.2070231333970955,19.014435723344356,0.7454844006568067,0.10035741850580987,0.01115082427842332,-2.0691155521405915,90.62312939415216,10.06923659935024,4.056038524614448,79.95834707500376,38.35573214099314,60.2840154977676,77.43299379154574,8.603665976838416,38.35573214099314,-3.246882793017477,0.07910657286794609,0.008789619207549566,-2.2832633807865954,38.20624845451462,4.245138717168292,3.2786991669094054,39.67570731635968,20.097554936997287,30.477597628421332,40.07968708340904,4.453298564823227,20.097554944363253,0.5194025576348942,0.09965904180213114,0.01107322686690346,-2.0754004507592954,69.5352030583415,7.726133673149055,3.8176498288426006,35.87139554338893,18.446322711669048,28.440028880462354,36.73097571637124,4.081219524041249,18.44632276298227,1.5958333333333243,0.17690062695139602,0.01965562521682178,-1.5589504203498707,39.28323872024348,4.364804302249276,3.303718139008769,0,11.889999999999997,15.996919171300895,-0.3812512724641257,0.3018878539158467,3.790447800547881,7.170755360687811,8.0,20.0,19.0,19.0,7.0,1.0,1.0,0.0,0.0,1.0,17.908483999999998,3.540343300599875,3.221544525286098,2.8433151452530625,2.237512116123979,2.1364939277737083,1.702859136961626,0.8774258882978985,0.6884560456448546,1.746748848956984,1.5356113429498892,1.4221195905556012,1.1237476997517422,0.6320956367456433,0.3719246940647566,0.08392307051869088,0.08392307051869106,3.416447517184612,3.1206500217546123,2.786008139758748,2.3000818451870075,2.049541624836445,1.507037881426266,0.5485539881864908,0.5116860755132728,1.7620857514094856,1.5252226198844367,1.3706587002418817,1.0177518402779377,0.7262260281312547,0.33909533118721336,0.2709139018929366,0.2709139018929369,3.6248437644026463,3.3421171509749006,3.0666437612292237,2.5970030957458596,2.43208357831998,1.94649496331409,1.1719658070588812,1.1465819019563919,1.525856874883087,1.2592065125435474,1.0315200228223567,0.644403735772448,0.2982888349686855,0.1431224386873508,0.9439184268026214,0.9439184268026218,3.3950995679344116,3.1065580000948434,2.7916236541304453,2.3485699735271077,2.0312400859497854,1.5039241829243724,0.44760221671515266,0.44358820860511045,1.7756466178110455,1.5264516760936435,1.3336493352343897,0.9462417536080553,0.7438843435626314,0.30522737315229675,0.39927724550898164,0.39927724550898164,3.639390217265846,3.3720775633202464,3.1441640740740997,2.7270503781791,2.5011665174707804,2.0306725951758344,1.208671217117402,1.2085945580418433,1.4979916932208985,1.218424946311336,0.9501880360716821,0.5198022117881255,0.23855426347889078,0.25955636462184095,1.2076448229620873,1.2076448229620873,4.7533628634602065,3.576417057205824,3.194569567448063,2.8126478965364106,2.4829089391106276,2.319433414747405,1.411405995587055,1.1437498072397632,1.6062129644323362,1.2194391963001732,1.0851072666578578,0.8315598458027236,0.23750581254137418,0.1424724015419728,0.5714285714285704,0.5714285714285707,0,0,1,0,0,3,1,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696923425058676,0.0,0.0,0.0,0.25,0.0,0.0,0.0,0.6064930722941141,1.0576775358252053,0.6380711874576984,0.1994872375097793,0.30154931012574504,0.12983985039374354,7.276020881938894,4.163902460147014,3.52339596063022,1.6552478622747717,1.4153882641488675,0.3535533905932738,0.23570226039551587,0.0,0.8084467646598772,0.5204878075183768,0.3914884400700245,0.23646398032496738,0.2021983234498382,0.11785113019775793,0.11785113019775793,0.0,6.009201921767763,2.826472535571544,1.8753917727824796,0.7685228312386285,0.5520464161181811,0.08193027063286606,0.04790957976087747,0.0,0.6676891024186403,0.353309066946443,0.20837686364249774,0.10978897589123264,0.07886377373116872,0.027310090210955356,0.023954789880438736,0.0,11.395364135965808,21.31900946831755,20.400000000000006,20.76,12.232045508982033,162.63309341317367,0.5426363874269432,1.0151909270627404,0.9714285714285718,0.9885714285714287,0.582478357570573,7.744433019674936,0.5844,33.103999999999985,23.544109154964158,35.6176469004835,47.088218309928315,5.232024256658702,23.54410915516165,0.0462149866742293,0.005134998519358811,-2.7670060319475738,47.54060138642723,5.282289042936359,3.4754257007695775,72,0.0,0.0,3.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.705142668178382,-0.2643055555555551,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7329861111111111,0.5402777777777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.733190665154951,0.0,0.45791666666666675,0.0,0.0,0.0,-0.13194444444444486,0.0,0.0,-0.2643055555555551,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.251207482993198,9.453935185185184,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.726666666666667,-0.2643055555555551,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4392361111111111,0.5402777777777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3811111111111112,0.0,0.45791666666666675,0.0,0.0,0.0,-0.13194444444444486,0.0,0.0,-0.2643055555555551,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.251207482993198,4.726666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.251207482993198,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6670138888888889,0.5402777777777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7826388888888889,0.0,0.45791666666666675,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.251207482993198,4.727268518518518,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.5,2.7222222222222223,0.6670138888888889,10.251207482993198,0.21694444444444438,-0.2643055555555551,2.246644895124716,1.9309722222222219,3.2512074829931974,11.410285336356765,1.9309722222222219,3.2512074829931974,11.410285336356765,3.99999,0.44444,0.0,0.05556,0.58095,0.95556,0.42414,0.58095,0.95556,0.15681,0.0,-0.15681,0.0,0.46511,0.24918,0.0,0.45833,0.25,0.0,6.75,0.75,5.25,0.58333,1.5,0.16667,-3.75,-0.41667,0.0,0.0,6.33424,0.7038,10.47473,4.14048,0.46005,2.50922,0.2788,4.16389,1.65467,0.18385,0.25011,0.02779,0.25011,0.02779,0.0,8.03,3,3,3,3,0,0,0.8333333333333334,1.3787834934861756,2.343767422366671,3.6178096843744547,3.617809684374455,3.617809684374455,3.408651711861181,28.954453363209687,49.21911586970009,75.97400337186355,75.97400337186356,75.97400337186356,71.5816859490848,0.3139079808612512,0.5336061119380364,0.8236676305797771,0.8236676305797772,0.8236676305797772,0.7760485829607295,3.013533929292585,2.0485500004120896,0.774507738404306,0.7745077384043055,0.7745077384043055,0.9836657109175797,0.3139079808612512,0.5336061119380364,0.8236676305797771,0.8236676305797772,0.8236676305797772,0.7760485829607295,13.076372916623269,25.560721472658173,26.844733156135522,26.84473315613552,26.844733156135526,24.33483748597623,33.75130125375643,18.085626387762886,17.014248351246415,17.014248351246415,17.01424835124642,15.759300516166771,9.0,4.839506172839506,5.877551020408164,9,3,3,1.79,1.0871000000000004,0.6551853485522243,1.1905507889761497,2.6490833455576435,0.0,0.0,1.1547005383792517,0.0,0.4999999999999999,0.0,0.0,0.0,0.6324555320336759,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.653,0.6520000000000001,0.7040000000000001,0.07899999999999999,3.4899999999999998,9.0,7.0,7.0,3.0,2.0,0.0,0.0,0.0,0.0,45.0,2.302585092994046,2.4849066497880004,2.1972245773362196,2.302585092994046,1.6094379124341003,1.3862943611198906,0.0,0.0,0.0,0.0,3.9889840465642745,1.1777777777777778,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.5,7.0,0.875,0,3.0,6.0,1.0,2.5,0.666666666666667,0.625,0.16000000000000003,0.1111111111111111,0.0,0.0,0.0,0.0,0.0,0.3125,0.07407407407407411,0.08928571428571429,0.02285714285714286,0.037037037037037035,0.0,0.0,0.0,0.0,0.0,0.5357539682539683,23.544109154964158,35.6176469004835,47.088218309928315,5.232024256658702,23.54410915516165,0.0462149866742293,0.005134998519358811,-2.7670060319475738,47.54060138642723,5.282289042936359,3.4754257007695775,35.53,136.06658785688336,4.169925001442312,3.5553480614894135,4.204692619390966,4.962844630259907,5.631211781821365,6.398594934535208,7.072421900537371,7.841885928984623,8.517393171418904,9.28720881623276,74.47160184467053,2.833213344056216,0.0,3.970291913552122,0.0,5.25227342804663,0.0,6.608000625296087,0.0,8.00202481821611,8.29254851397576,132.078644244,6.289459249714286,16.49037012099532,1.8322633467772578,7.889229635427366,7.889229635427366,0.0,102.0,7.0,0.511,34.0,1.2331499999999997,2.0934764317762493,2.8756171512471194,3.5542484976325834,4.503158978605691,5.235299648747431,6.977768430878773,7.567876130245228,0.0,0.0,105.81582961054997,123.97894714592094,137.44422646997575,158.2777626376816,137.05518381540918,87.49915007327967,93.13271269728963,7.689446492401487,0.0,0.0,275.27856668643943,317.0407741633636,423.2931064554932,500.0693710903704,520.0237168047993,376.73494894464284,730.174091886795,235.2379275174802,0.0,0.0,9.857946406999998,16.989748750327728,23.826116640115306,27.086126300374346,35.41383682231452,37.817247732615684,54.73083038296212,50.84450333751188,0.0,0.0,1.8309580492179998,2.160508161033025,3.012181981896266,3.7487061755116944,4.207697593868826,3.4414186584256914,6.52432282442333,3.364775389805739,0.0,0.0,182.9013596350761,345.2981982669392,476.88023985084044,579.5153119412084,744.5298464789997,931.3750540280153,1137.4618685715168,1399.433884815307,0.0,0.0,4.130491666666666,7.390312542204676,9.700422311333131,9.669669863587393,15.419171650407279,10.18247648687627,24.717306621705056,7.567876130245228,0.0,0.0,0.45042937500000013,0.5749293329659516,0.7802189850507167,0.9146480440809207,1.0608138548233674,0.8459988307246895,1.598901564300875,0.7749505157371114,0.0,0.0,354.83212372314375,352.5519741695393,15.081722051239774,79.13603172053391,-78.6275039539149,-18.274819424386983,275.6960920026098,431.17947812345415,33.356541475626756,0.8176455329086824,0.8123913465703477,0.0347530616291894,0.18235446709131756,-0.18118265814579917,-0.04211096873157268,153.9858422242955,152.99632992838207,6.544987099490764,34.34251771489247,-34.12183285802092,-7.930689676667511,0.2603208764647826,0.3836819840445655,0.785927089107782,5.681950192772583,372.8522010093644,61.11595443431328,0.8591694951169172,0.1408305048830828,719.262819285724,26.819075660539163,8.959749554899055,835.5072522671757,28.905142315290124,9.418536127644458,1264.293926982649,35.55691110013142,10.813078369137296,1.8342021884299933,1.8342021884299933,730.9155222005315,661.7898639996167,114.17715601895102,1.1044525792268025,6.40159159402442,5.796167001127383,4.256618061475843,4.238046684984643,8.302736085504286,0.9590950035828526,3.360032890516417,4.110009742628119,6.586675626756746,12.786173761238448,7.228074261870748,8.500271636327625,4.9338814445060635,7.85586389242712,3.7767967592055123,0.6427732024740764,1.5858874293321386,4.290308011707969,0.3263262647417071,3.016320276453747,0.7535579767198146,0.040837561143646284,1.5368540274209338E-21,1.1155358259063828E-62,1.56174574032068E-125,4.2170916787528496E-210,2.19629996E-316,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2984920370275855,4.515159390688129,0.6129141673308163,6.140397712851838,0.7467689574289922,3.0227391720199113,2.2458015341668274,1.505030880360583,0.18266621453364873,0.01761271670279945,1.3363492724171193,0.43380287167402004,0.32542920984887636,0.2494296434398816,0.005307371191834439,2.876222822295352E-4,1.0824188576433524E-23,7.856810033963627E-65,1.0999502945664443E-127,2.970132150516022E-212,1.54687E-318,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9161505572061994,3.7615985150672184,1.2289404009234104,5.111320250392608,1.3964735390532401,2.9629988054756966,2.0793710995612087,1.91440760925539,0.6768203024864736,0.07618652087447349,0.7668216512100171,0.9578141149491258,0.32548920285340865,0.8076334026307267,0.05530689395916021,0.002997245938776983,1.1279639045969622E-22,8.187401818627796E-64,1.1462330135517156E-126,3.095106699230185E-211,1.6119603E-317,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1767121372755893,4.5136916495261294,7.590563409392076,14.354633707908233,7.586072016085532,8.54895050872278,5.065284008729151,8.25969338383047,3.4725455305378965,0.5893590307765263,1.8756958888953057,4.87575387134037,0.3262279081361386,2.84460627507224,0.6714065910586172,0.03638553175822269,1.36930926961531E-21,9.939223372859763E-63,1.3914873376699735E-125,3.75735276317968E-210,1.9568637E-316,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3426555045875683,3.475244216363082,1.4326698123647228,4.915717902983929,1.8205072325824596,3.396813322805066,2.188193101666216,2.284494052917167,1.087189566462136,0.13454124191939187,0.5792057545305417,1.163776439796225,0.32556691254665443,1.192775811430894,0.12013396231504045,0.006510418690890753,2.450088326797325E-22,1.7784130804954108E-63,2.4897712726864695E-126,6.7229853393985105E-211,3.501392E-317,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.057749355422429,4.365752291030869,9.372175522117823,16.46252595092342,9.952673736892965,11.03002791013279,6.143444966337492,10.567933761836562,5.001004237458456,0.9050170286294995,2.0631760875579257,5.850399166394842,0.32674034059859897,3.6547419992844596,1.0989934860457249,0.05955774494977976,2.241357163034668E-21,1.6269041622729506E-62,2.2776593869366178E-125,6.150231884552137E-210,3.20309705E-316,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0842513639745124,4.778024488304684,6.101791122263862,21.947064642625282,5.353494377475129,7.344317115879482,6.021263854508935,8.527305708067516,1.8962953292836653,0.254623731988344,4.605455179975956,4.752541782153181,0.4253377791163739,1.9540877459152295,0.24605975067269786,0.013334713842823274,5.018298865047947E-22,3.64256596214329E-63,5.0995779275777306E-126,1.3770095277560326E-210,7.171592E-317,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.264725108350767,1.237772718593626,0.48797310316183473,0.7840245165959802,0.15490610371035674,0.5086871511551685,0.4264402848687336,0.4603824077631285,7.990470930106228,11.415322974684054,23.189686582840604,0.6760367748939702,1.3955098437870306,4.894150854093615,0.7100729154075669,0.18938455371788976,0.8447500385000662,0.12256142904272702,0.3133566098548129,0.14481408736684412,0.05810316316162208,5.793608323219072,4.536557382932859,10.988315658219875,0.7671250577500993,0.5162738603832792,5.537403989148358,0.919815588537683,0.30153722719981596,0.8192932737490137,0.1360924227770342,0.39814402280929917,0.23561575948813032,0.173987480563619,6.7587568048858575,7.0404825961252255,15.335086252216009,0.7289399106235207,0.8077472628610485,6.12138478232416,1.190652758003694,0.4711899577752137,0.7864841139252409,0.15297673854373145,0.48615523044474107,0.3944457305485227,0.4284563732770067,7.783227498103067,10.733802333753962,21.951271298797735,0.6797261708878612,1.3090573342702705,5.865852279119433,1.041260075904276,0.35835144869912344,0.8073610216203628,0.1433163943877517,0.4459296645256858,0.30187541890694114,0.24802330318030355,7.265463803722832,8.58305150814953,18.037282166180756,0.7110415324305442,0.9958283866129304,6.326192901102921,1.2696589501883024,0.5100401513594006,0.7804437684383481,0.1566340816992287,0.5187613949310868,0.44864342715194877,0.5030705466123581,8.105892002650624,11.906296865439185,24.10888616124882,0.6706656526575222,1.4704753686953937,6.194070370972387,1.2136381715865008,0.47967418656776406,0.7853137832526911,0.15387083564548712,0.4981315362229437,0.4095714506758856,0.44358367500024415,7.887382729126652,11.070646809188059,22.563913196432082,0.6779706748790367,1.3512866618990735 +UMLCN0199,L,gamma-undecanolactone,CCCCCCCC1CCC(=O)O1,Cyclic Esters,,C11H20O2,Marquardt (2015),IQT,PubChem,,52.6,0,-2.0713999999999997,4.290697959999998,40.51870000000001,34.299859999999974,0,0,33,13,20,0,11,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2119.1626129999977,2261.274936999999,2942.5311189999998,2305.808038999997,1868.5063449999961,1657.6547519999967,1460.8980229999972,1264.1412939999977,1067.3845649999982,5713.142361789943,7438.0898511311325,10331.667427835837,9910.325032475112,8354.756293567745,7328.11180684901,6321.313461893887,5314.5151169387655,4307.716771983644,244.01838800000016,247.85945199999998,475.6190680000001,636.6223880000006,535.2900999999998,476.3709599999996,413.4860599999998,350.60115999999994,287.71626000000015,40.85656609698004,54.17790620000001,80.51621340933895,83.58470919286592,71.61953637546996,62.95246533977208,53.930936480376076,44.90940762098006,35.88787876158401,5463.993529079981,4790.424500403,9951.580874702691,14449.22583859727,12261.374525055222,10967.070397368974,9488.115242330377,8009.1600872917825,6530.204932253185,107.80555555555556,76.5,144.38888888888889,164.66666666666666,136.25,119.00000000000001,106.75,94.41666666666666,83.58333333333334,64.2170488787878,68.52348293939392,45.977048734374996,26.50354067816088,25.25008574324319,25.11598109090904,25.629789877192934,26.336276958333286,27.368834999999955,173.12552611484674,225.39666215548885,161.43230355993495,113.91178198247255,112.9021120752398,111.03199707346984,110.90023617357696,110.71906493622429,110.45427620470883,7.394496606060611,7.510892484848484,7.431547937500001,7.317498712643685,7.233649999999997,7.217741818181812,7.254141403508768,7.304190833333332,7.377340000000004,1.2380777605145465,1.6417547333333335,1.258065834520921,0.960743783826045,0.967831572641486,0.9538252324207891,0.946156780357475,0.935612658770418,0.9202020195277952,165.57556148727215,145.1643788000909,155.49345116722955,166.08305561606056,165.69425033858408,166.1677332934693,166.45816214614698,166.8575018185788,167.44115210905602,3.266835016835017,2.3181818181818183,2.256076388888889,1.89272030651341,1.8412162162162162,1.8030303030303032,1.8728070175438596,1.9670138888888886,2.1431623931623935,0.2806052814073494,-0.1647948287944001,0.08256356637505757,-0.039714258564069155,-0.0197888840470256,-0.001497714132150771,-5.269266757171051E-4,9.63161945680039E-4,0.011158909106714347,1090.1095875151516,25.630030060604895,-116.24577630211321,-137.98583647933833,-69.36772697336941,12.746892727273362,5.3177991404964615,-2.111294446280553,-9.540388033057553,1624.9634000838837,-55.460170536158095,-581.6024319070285,-78.80625540939326,-55.73248038581144,23.112574409354522,20.35398729714464,17.59540018493456,14.836813072724482,2.0748329696969683,0.034779151515153456,0.9289378769513332,-0.45095504132231357,-0.19603223507805512,-0.09706036363636576,-0.13434446280991852,-0.1716285619834711,-0.20891266115702378,7.233936605476968,-0.5734097430302796,-3.1527439701338915,-0.055669305529048196,-0.1324229388292713,0.03066670119381157,0.03006237283516769,0.02945804447652381,0.028853716117879485,40.152540612476976,-3.6779728269701453,-17.640764710632737,0.016537094416543496,-0.6014734285943355,-0.011160287763663845,-0.011172996340494734,-0.011185704917320294,-0.01119841349414763,39.43434343434349,0.45202020202020127,12.139118457300267,-5.094582185491285,-4.069100091827365,-1.9090909090909023,-2.578512396694209,-3.331267217630849,-2.5840220385674897,0.008503190345677255,-0.0049937826907393975,0.0012900557246102746,-4.5648573062148455E-4,-2.674173519868324E-4,-2.2692638365920772E-5,-9.24432764415974E-6,2.0065873868334145E-5,2.861258745311371E-4,33.0336238640955,0.7766675775940878,-1.816340254720519,-1.586044097463659,-0.9374017158563435,0.19313473829202063,0.09329472176309582,-0.04398530096417819,-0.2446253341809629,49.241315154057084,-1.6806112283684271,-9.08753799854732,-0.9058190276941754,-0.7531416268352897,0.3501905213538564,0.3570874964411341,0.3665708371861367,0.3804311044288329,0.06287372635445358,0.0010539136822773775,0.014514654327364582,-0.005183391279566823,-0.0026490842578115554,-0.0014706115702479662,-0.002356920400174009,-0.0035755950413223145,-0.005356734901462148,0.21921020016596873,-0.01737605281909938,-0.049261624533342055,-6.39877075046531E-4,-0.0017894991733685313,4.646469877850238E-4,5.27410049739784E-4,6.137092599275794E-4,7.398388748174228E-4,1.2167436549235446,-0.11145372202939834,-0.2756369486036365,1.9008154501774134E-4,-0.008128019305328858,-1.690952691464219E-4,-1.9601747965780235E-4,-2.3303551911083945E-4,-2.871388075422469E-4,1.1949801040710148,0.01369758187940004,0.18967372589531667,-0.058558415925187186,-0.05498783907874818,-0.02892561983471064,-0.04523705959112647,-0.06940140036730935,-0.06625697534788436,-0.5872834180735557,0.15171431805782132,-0.053684054109590415,-0.03144906101305596,-0.002668720497061079,-0.0010871599092050497,0.0023598053263073175,0.033649237862421154,0.023511425231134076,-0.054984589707540776,-0.048013021640884584,-0.02837719893260674,0.005846610686329823,0.0028242351534582483,-0.001331531204240239,-0.007405343573184171,-0.03413010442776442,-0.18455108215765398,-0.018395508423368002,-0.015294912909596343,0.007111721534208527,0.007251786336817874,0.007444375440405641,0.00772585182257238,0.016762386188721973,0.23085404936137452,-0.0824412927324398,-0.04213340629561573,-0.023389922238063708,-0.037486570891102584,-0.05686946278903098,-0.0851983047936956,-0.07926662539399901,-0.22472323138268668,-0.00291901140805522,-0.008163393729003774,0.002119641273231034,0.002405955787369705,0.002799638244310379,0.00337502029676208,-0.09160000266153157,-0.22653658187431144,1.5622152147543793E-4,-0.006680141106500852,-1.3897361902170526E-4,-1.6110006316007403E-4,-1.9152392385023983E-4,-2.3598956639744268E-4,0.011462602459016358,0.15872542584528654,-0.049003674392312055,-0.046015694229065075,-0.0242059426229507,-0.037855910267471815,-0.05807745261270475,-0.0554460907944513,1.5912390291673053,0.8341615699510362,1.0165698900616922,0.7822341470424788,0.762945625501152,0.8559218040881295,0.983555327410297,1.1533010124988503,1.098152639587769,1.0934196535386713,1.0057910877284857,0.9495576864941198,0.9069857869192114,0.9254967303306524,0.9509492775213838,0.9881491541847605,1.3742837955374052,1.3155613620593467,0.9535429520983322,0.963342253293468,0.9333169299874086,0.9251256330202714,0.9138625996904577,0.8974012432853451,0.6888234946345738,0.6389902316780873,1.0904620091255228,0.833633030975941,0.7918178094160717,0.9040076331441781,1.0582686407703243,1.283727036531615,1.5005875554399988,1.3916929905693727,0.9311143383564254,0.9502054056930994,0.9298597129053399,0.9204686981835459,0.9075560529410792,0.888683725279013,1.5216542265678916,1.3978697906309878,0.9277496541909044,0.9430376194402452,0.9253151616896306,0.9185433455095061,0.9092320982618348,0.8956233522844687,0.5403005464480867,0.4550461065573764,0.8683460523836432,0.9001163048294184,0.7817622950819662,0.8980802415875744,1.0594262295081953,1.2640290037831003,93.63021477645674,47.06510738822835,75.47144600833504,94.05329169953362,7.234868592271817,47.06510738822835,0.4999999999999645,0.2656642751444979,0.020435713472653685,-1.7231784581258691,97.6848189190188,7.514216839924523,5.95627001101388,93.64257747433668,47.07055431626702,75.47922343267345,94.0644115312729,7.23572396394407,47.07055431626702,0.49853115819736615,0.2655254130598461,0.020425031773834316,-1.7238581426836388,97.58967527070628,7.506898097746637,5.95500321216125,104.99444744676558,52.09822924532476,82.90373067132246,104.31922602235969,8.024555847873822,52.09822924532476,-0.7979889561160576,0.13660100382892887,0.01050776952530222,-2.587898278157408,77.99103980963663,5.999310754587433,5.663572129612298,93.65555356645328,47.0762715834456,75.48738746154237,94.07608322836231,7.2366217867971,47.0762715834456,0.49698960043793505,0.265379655437644,0.02041381964904954,-1.7245719611226296,97.49041885685287,7.499262988988682,5.953680336552429,118.07578187132233,57.76977113039739,91.86787038475954,116.57722058223732,8.967478506325948,57.76977113039739,-2.164588528678344,0.004518749464891336,3.4759611268394896E-4,-7.019375987619876,183.79875248681583,14.13836557590891,6.777993849325466,94.93092943127382,47.63859890151524,76.29338507166703,95.22392574583716,7.324917365064396,47.63859890151524,0.3462683717566435,0.2510259002878151,0.019309684637524235,-1.796858903809112,90.03890891411065,6.92606991647005,5.8503144676265215,95.48955257067374,47.82950904075541,77.71745603519255,96.1336866838113,7.394898975677792,47.82950904075541,1.2361471861472282,0.29230239683675857,0.022484799756673737,-1.5989563290714888,104.63963691658432,8.049202839737255,6.045679143229704,0,11.996724323192685,15.997786651029584,-0.32921246578001784,0.27877449957855227,3.936914511009154,7.979869110148947,13.0,33.0,32.0,32.0,12.0,1.0,1.0,0.0,0.0,1.0,24.73813999999999,3.6932529751956467,3.4500753841450758,3.1729443609228825,2.840083931503788,2.5617167574415074,2.3298580628368226,1.9824469552501243,1.6074580548017428,1.9174953813337379,1.775263671641987,1.625827667260383,1.4454294245291317,1.210542126516685,0.9798782841371192,0.7729772994068215,0.6169329204513865,3.6275904790153386,3.460242259980819,3.1832869060248914,2.8314368309852,2.508468488118082,2.304151641243971,1.99410777587952,1.6740953774365994,1.8614763215247492,1.7171962603990023,1.589627998036393,1.4404639783974806,1.1756249221945108,0.8962380741097882,0.652764742814951,0.47588516378861073,3.7784699619112767,3.601125375736709,3.3468798729567015,3.0271434049201207,2.756175905978521,2.5941142401338193,2.321959104300576,2.0623323828910487,1.6839526507966451,1.5233886702426291,1.3706045789455097,1.1813383068443577,0.8670021675035865,0.5251229369531677,0.21729980244050426,0.008536493672548339,3.624724860200036,3.4734043655063456,3.2020897583346013,2.8511743905734694,2.511541457013226,2.307985788091987,2.025100424346484,1.730554266224151,1.8268116182992684,1.6804003873665294,1.5955778534401948,1.4270462253299678,1.1351453332707837,0.8341112977503845,0.5767049534172112,0.4055188104575606,3.8026566900606635,3.656333240392523,3.41393962079051,3.1030154159108974,2.8128351413254675,2.6771972732253433,2.4439228866836964,2.222381532072696,1.6307643754674126,1.4665461367958348,1.3356766888426113,1.1345107050393,0.787578761973258,0.41419954847399554,0.08164716548018942,0.14445415897757577,5.196199583413537,3.664158253280168,3.519893556714096,3.2481029025509223,2.8754611817057065,2.659715191119212,2.40607282601157,2.1141156586338794,1.77200749599033,1.6054420580617506,1.3979424917926868,1.1577853254413084,0.877341549176506,0.6065685594326828,0.36946192431231845,0.18445228177491255,0,0,1,0,0,1,9,0,0,0.0,0.0,0.11785113019775793,0.20118446353109126,0.1422588984322123,0.0,0.0,0.05892556509887897,0.06572292788290107,0.04647312798543378,0.49279927982674443,0.0,0.0,0.0,0.1767766952966369,0.0,0.0,0.0,0.777317076691169,1.1267131295540547,0.9044475959273767,0.30127958930420085,0.4047991029455967,0.2907940990336118,9.518661569058182,6.325698502695489,4.9871383458600285,3.519342323641858,2.6237127013649624,1.598096173218198,0.8749696267558744,0.5514463561037432,0.7322047360813986,0.4865921925150376,0.3324758897240019,0.21995889522761614,0.1457618167424979,0.10653974488121319,0.07291413556298953,0.0501314869185221,8.550701099609734,5.521107303566926,3.8534318976167716,2.5982023216463914,1.7614074009698009,1.0195593788741528,0.5985283121039509,0.3559728279132439,0.657746238431518,0.42470056181284044,0.2568954598411181,0.16238764510289946,0.09785596672054449,0.06797062525827685,0.04987735934199591,0.03236116617393126,17.847876246692444,32.53969410050983,30.9529411764706,31.399999999999984,19.946023952095818,253.33428742514974,0.5408447347482559,0.9860513363790857,0.937967914438503,0.9515151515151511,0.6044249682453278,7.676796588640901,3.052500000000002,52.49000000000004,64.27262019532698,97.8068622865512,128.54524039065396,9.888095414665688,64.27262019532698,0.0905108934165571,0.0069623764166582384,-3.1229705861592265,167.18125174696883,12.860096288228371,6.654802132762598,200,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,8.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.895351902736914,-0.0013350077685392314,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.3903749064287485,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2209805330151653,0.0,9.140440969597716,0.0,0.0,0.0,0.24456160241874492,0.0,0.0,-0.0013350077685392314,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.76643372435445,5.128918178382465,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.128918178382465,-0.0013350077685392314,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22517625752474238,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2209805330151653,0.0,0.6385185185185185,0.0,0.0,0.0,0.24456160241874492,0.0,0.0,-0.0013350077685392314,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.76643372435445,5.128918178382465,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.76643372435445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2209805330151653,0.0,1.337752346308894,0.0,0.0,0.0,0.24456160241874492,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.76643372435445,5.128918178382465,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,27.5,2.1153846153846154,0.5559027777777779,10.76643372435445,0.07828782438901494,-0.0013350077685392314,5.4692830547319815,1.668001674435206,3.766433724354449,11.232664871504157,1.668001674435206,3.766433724354449,11.232664871504157,6.16666,0.47436,0.0,0.02564,0.50404,0.81795,0.43333,0.50404,0.81795,0.07071,0.0,-0.07071,0.0,0.57994,0.13435,0.0,0.13513,0.16216,0.0,8.75,0.67308,7.25,0.55769,1.5,0.11538,-5.75,-0.44231,0.0,0.0,12.78784,0.98368,15.90808,3.12024,0.24002,5.30592,0.40815,6.32569,1.01976,0.07844,0.08831,0.00679,0.17431,0.01341,0.15151515151515152,13.02,2,2,2,2,0,0,0.9090909090909091,1.2112938253354986,1.8295442298993483,2.9820348341775467,3.809397528383803,4.003044786734203,3.9411707267352205,39.97269623607145,60.37495958667849,98.40714952785903,125.7101184366655,132.1004779622287,130.05863398226228,0.2401267221938541,0.36268859779973533,0.591158177497202,0.7551744447890766,0.7935630507878141,0.7812971455998088,3.833100294022955,3.214849889459105,2.0623592851809067,1.2349965909746503,1.0413493326242502,1.1032233926232329,0.2380938914214851,0.3596182000711583,0.586153634381073,0.7487813960028005,0.7868450171815662,0.7746829509552945,10.70172467385938,18.362845566201333,23.405419772390207,25.571641450760293,25.51535383828772,25.45299561178927,47.548175670650494,34.80156662330984,26.656158552021108,21.770805602659596,21.5865080022241,21.85985771809267,11.076923076923077,6.453333333333333,4.6875,7,3,7,2.4499999999999997,1.6243000000000014,0.0,2.059476605052265,0.2519763153394848,0.0,9.979404942306298,5.234525191119623,0.0,0.4999999999999999,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.54,0.5840000000000001,1.254,0.385,6.775999999999999,15.0,16.0,18.0,15.0,12.0,11.0,10.0,8.0,6.0,137.0,2.70805020110221,2.8903717578961645,2.9444389791664403,3.091042453358316,2.995732273553991,2.70805020110221,2.6390573296152584,2.5649493574615367,2.3978952727983707,2.1972245773362196,5.075173815233827,1.1605839416058394,0.5,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.46153846153846156,7.0,0.5384615384615384,0,5.0,10.0,1.0,2.0,0.666666666666667,0.5694444444444445,0.20500000000000002,0.13555555555555557,0.09637188208616776,0.07206632653061223,0.05594135802469135,0.04469135802469136,0.0,0.15384615384615385,0.04444444444444447,0.051767676767676775,0.02277777777777778,0.016944444444444446,0.013767411726595393,0.012011054421768705,0.01118827160493827,0.014897119341563786,0.0,0.3416443543753635,50.00899181126957,79.3028232070074,100.01798362253913,7.693691047887626,50.00899181126957,0.1886569893145239,0.014512076101117223,-2.1681722193930897,79.74030336532715,6.13386948964055,5.692407690290051,26.3,201.39982558485568,4.700439718141093,4.04305126783455,4.77912349311153,5.556828061699537,6.318968113746434,7.109062135687172,7.884952945759814,8.681520484837913,9.46614470552994,10.266566944147854,90.10621815235476,3.295836866004329,0.0,4.465908118654584,2.3978952727983707,5.7899601708972535,4.59511985013459,7.190676034332207,6.529418838262226,8.640648995343156,9.015055148790369,184.14632988,5.580191814545454,25.477446065008216,1.9598035434621706,5.506163277133161,5.506163277133161,0.0,313.0,11.0,3.882,56.0,1.294744916930184,2.2046060245731915,2.9220935453707635,3.666464722110876,4.820360706890208,5.775799841747164,6.994492120220186,8.00426749643693,9.132503528236741,10.039574679978841,104.9817737152218,118.5410569449857,92.40574421835997,114.17132634117056,139.3741363927913,170.76731970676718,203.18436828079868,240.651800799466,232.31479978950114,174.41365144699782,321.5447909591158,382.97261741574846,366.75562979612675,474.58071589208043,583.9295130509103,703.606490186022,824.5872433208843,938.6195518828065,1004.977921394477,847.4479970275878,9.859993014174677,16.64265287653769,21.610424596193653,26.779095517150836,35.014449653976996,42.03933832062641,51.29935357118497,59.17189040259917,68.63888343754267,73.48571200781166,2.258610764881692,2.8893912719768653,2.9788320464816667,3.9164947121703713,4.878204866193623,5.858149119263219,6.836834431458922,7.695284593435219,8.364229603185406,7.7427323894352265,185.9955418511828,340.1464989954398,481.5917981378012,595.5777616015533,793.4937422671411,948.43915674899,1158.6250720485473,1329.031282055221,1531.3712998872356,1710.962714917982,3.2449792916325753,5.70014893104658,5.973633825043057,7.373071063815707,9.186805283865702,11.184475327933779,14.24832979567251,17.556141976934367,22.025691000431152,25.6312252717619,0.49810686858113434,0.6600455974574164,0.6866508240881019,0.881963225977996,1.1019973697185568,1.330523694916552,1.5783173484976019,1.807830574835463,2.0000562271028586,1.8882009683946235,417.8489707873431,398.1367884683128,24.51128391556581,96.35827537243662,-91.81253749851116,-22.780952546693378,321.49069541490644,489.94932596682395,47.29223646225918,0.8126080950977199,0.7742730026495962,0.04766810288773995,0.18739190490227975,-0.17855162132425922,-0.04430305624206362,214.86096857925799,204.72482159318992,12.6038798020636,49.548123423966366,-47.21067207005095,-11.714130873931826,0.27476737008592544,0.3277200627279979,14.413293508073604,6.2531738582625565,383.03531362181735,131.17193253796233,0.7449045428325151,0.2550954571674846,849.5271843556509,29.14664962488229,9.470925641219175,1043.2679059914037,32.29965798567229,10.142194832628734,1509.059203063978,38.846611217247485,11.470141073776867,2.1644210603425353,2.1644210603425353,2560.540363951209,2444.4006430323575,268.1067653107998,1.04751255537831,9.550450399798494,9.117265803414968,6.36805779162688,6.901696073057127,12.122041809627275,0.7563859204043131,5.578043880737514,8.79126926369073,13.82263709709856,29.68690739592338,16.516924463605363,6.020781090207766,10.530998366335073,13.503541456226873,17.86582200688883,7.34164758066919,5.414499973159344,16.463707013468355,5.389048904589165,10.78475563676517,4.254057249849687,2.79134319660017,3.506465477446655,1.6346076385359314,5.6176360157529395,1.6683265429387109,2.35236191359832,1.382730924719759,1.7494999271173055,6.25175127078465E-7,3.3428868417367168E-34,3.4476239270722285E-83,6.857945055585507E-154,2.6311403897077583E-246,0.0,0.0,0.4681566346319049,8.965523674487168,1.861503401762981,9.705808553390556,2.4432861858499932,2.9282881670974557,4.4685333191919545,1.637412037041383,4.42830582800956,2.8027947658548737,0.2375940724143756,2.8971884813119413,0.40543387042665635,2.3882129592617316,1.88570101338512,0.41879104542835677,0.5856719446452114,0.21276515695105497,1.0829784747284261,0.09923930488470968,0.1211434652782842,1.0217622754187106,0.13866277599147786,6.988705269806215E-8,3.7369450546607706E-35,3.854028507261512E-84,7.666356976442329E-155,2.941298205095216E-247,0.0,0.0,1.5111935500186835,8.036924044129277,3.6918006498822047,10.18221001596149,2.835333949686889,2.1010037594656046,4.370108464423929,3.1299107576273215,6.181034948828596,2.8964350137852506,0.7385537944186082,4.945103760639654,0.9735576848225472,3.709839245997923,2.2341915728313744,0.7307784951418408,0.8556912200440685,0.42923043839593894,1.4074924379967557,0.28857159109936376,0.44132496573475805,0.5921743049699616,0.27345186060288235,1.21064546847736E-7,6.473467423106504E-35,6.6762897566193895E-84,1.3280343011468168E-154,5.095177433389892E-247,0.0,0.0,5.2652202509951,9.263774632611943,13.234145322452614,28.047079614741314,16.034101028361956,6.905437233181881,10.757854119797518,13.229400433736515,16.767956327344972,7.4702614559924365,5.181983368030425,15.76926154463771,4.981083318838537,10.65701170961295,4.079133503795036,2.7018056866169395,3.2498923583324957,1.6989443996088995,5.767827298319005,1.5259417220851421,2.1679186066071936,1.5715394329266705,1.9990941636414488,7.85243164998327E-7,4.198789961201311E-34,4.3303436282239605E-83,8.61383355677777E-154,3.3048099974202896E-246,0.0,0.0,2.2272056970541585,7.7047016614122805,5.062102876658854,11.604949605273982,3.752826467099753,2.1037002398786773,4.736720094766013,4.232441847638951,7.663834633866138,3.1849951684241784,1.1764499888668862,6.466407995568299,1.4842964893716462,4.600665140082089,2.5128679767054125,0.9935063938786957,1.128370902192424,0.5587723286218694,1.7298174181250403,0.4574245917425286,0.7012803548430087,0.46555822829316146,0.31790070065732956,1.198765259884707E-7,6.409942499843827E-35,6.610774513126418E-84,1.3150021390061027E-154,5.045177837453022E-247,0.0,0.0,6.736289005571282,9.26969309440121,17.551975140934957,39.35881377337649,23.100791033206153,8.088663454163488,12.890623077999427,17.985376940806308,22.60199198046226,9.186692038731453,7.610271096346765,20.871472787112,7.293719557231131,13.493465641129394,5.006546255095585,3.516392756009802,4.736402849013133,2.1082159870536126,7.413327264442865,2.2481136559917996,3.0896022154128246,1.826625741572881,2.5540175864861085,9.130737935484837E-7,4.882315750905213E-34,5.03528518889307E-83,1.0016089311097509E-153,3.8428037728130826E-246,0.0,0.0,3.6588682680430566,12.788127903093944,9.256268836843502,19.60805945833674,12.690426444595174,16.114800482960465,12.47607686631127,11.874664840167775,11.424445454214867,9.702042602611305,4.562015182090038,11.407529525237589,2.93842984538056,10.845054380834636,3.2576483281397044,2.3023564035518955,2.001713987413055,2.3448766432699637,7.97094332730367,0.899476347225313,1.3224683387141911,4.7596841576268325,3.7625406819332263,1.8322606588737315E-6,9.797318875262975E-34,1.010428189006982E-82,2.0099236893013582E-153,7.711335329005092E-246,0.0,0.0,13.090229361090625,1.1522424361199621,0.8091035587045237,0.869691646990712,0.07655294604542129,0.5685568279212128,0.3635583634161807,0.47590293861996635,15.05157535591511,26.606752384264013,53.86213200294462,0.8045374704860679,1.4080181299573598,13.713540764048869,1.1043701387125424,0.4230278937957267,0.8997832054247668,0.07246076855593796,0.6348844424594522,0.34806835777854966,0.10624328376291466,15.240938796557138,21.41321455548065,43.06083673808756,0.8496748081371501,1.0891960840009165,12.953798371681179,1.0273159472816165,0.5578667231797846,0.8909701673131973,0.07065941858675283,0.5559939032353054,0.32527333494414346,0.20334258615336467,14.53898104214258,21.10724207662045,43.07011467229854,0.836455250969796,1.0846098243328135,13.236674602783587,1.216682738825506,0.8026178331745832,0.8676387088425684,0.07975122697082902,0.5804579598942767,0.4264351284222317,0.439877945718868,15.255975174783677,27.705355860276995,55.88735760941618,0.8014580632638526,1.4467710340353763,12.77430521136796,0.9794433496695152,0.6221030135421018,0.8885946787289049,0.0681311534546891,0.5408341553772651,0.2725132037412435,0.27612213573115857,14.375851574579576,21.06795671324474,43.22737971705669,0.8328920180933572,1.089469494849667,13.159421157232504,1.1888128757173217,0.8438419839120144,0.8662029562402617,0.0782521674060771,0.5746466506502819,0.3854174348581173,0.517064464616906,15.19207601686184,27.751731580703204,56.14494695631935,0.7993044343603924,1.4771285501253053,13.352892864758365,1.2412656110510463,0.7977008390881203,0.8675295551742938,0.08064429291201,0.5905945154115357,0.4476663254553227,0.43767877199108846,15.391859314897532,28.216259183011616,56.82960046276435,0.8012943327614406,1.475939612857947 +UMLCN0200,L,delta-undecalactone,CCCCCCC1CCCC(=O)O1,Cyclic Esters,,C11H20O2,Marquardt (2015),IQT,PubChem,,48.6,0,-2.0713999999999997,4.290697959999998,40.51870000000001,34.299859999999974,0,0,33,13,20,0,11,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2119.1626129999977,2261.274936999999,2942.5311189999998,2642.236148999997,2105.0314059999964,1687.8766079999968,1460.898022999997,1264.1412939999977,902.4385919999999,5713.142361789943,7438.0898511311325,10331.667427835837,10636.571436300266,8936.249673265034,7429.971579238082,6321.313461893887,5314.5151169387655,4170.65377247288,244.01838800000016,247.85945199999998,475.61906800000014,654.1967880000008,571.383952,481.8763679999997,413.4860599999998,350.60115999999994,287.5527120000001,40.85656609698004,54.17790620000001,80.51621340933895,87.71294919286589,75.1419566574699,63.13277550207408,53.930936480376076,44.90940762098006,35.75223815273502,5463.993529079981,4790.424500403,9951.580874702691,14729.363523102269,12938.208954575422,10967.603646712776,9488.115242330377,8009.1600872917825,6530.250776222986,107.80555555555556,76.5,144.3888888888889,172.16666666666666,155.25,131.0,106.66666666666666,95.83333333333334,82.41666666666666,64.2170488787878,68.52348293939392,45.977048734374996,29.688046617977495,26.987582128205084,25.573887999999954,25.62978987719293,26.336276958333286,23.139451076923073,173.12552611484674,225.39666215548885,161.43230355993495,119.51203861011535,114.56730350339788,112.57532695815276,110.90023617357696,110.71906493622429,106.93984031981742,7.394496606060611,7.510892484848484,7.431547937500002,7.350525707865177,7.3254352820512825,7.301157090909086,7.254141403508768,7.304190833333332,7.373146461538464,1.2380777605145465,1.6417547333333335,1.258065834520921,0.9855387549760213,0.9633584186855116,0.95655720457688,0.946156780357475,0.935612658770418,0.9167240551983338,165.57556148727215,145.1643788000909,155.49345116722955,165.4984665517109,165.87447377660797,166.17581282898146,166.45816214614698,166.8575018185788,167.4423275954612,3.266835016835017,2.3181818181818183,2.2560763888888893,1.9344569288389513,1.9903846153846154,1.9848484848484849,1.871345029239766,1.996527777777778,2.113247863247863,0.27960009665022645,-0.16846726336555723,0.07035649505173888,-0.026678970351709824,-0.004279734105227594,-0.014718037433279707,0.001530130319530045,0.01147738288416658,-0.022176510754441513,1090.1095875151516,25.630030060604895,-116.24577630211321,-29.748601540862936,-127.16499612672125,-124.45709909090853,5.317799140496405,-2.111294446280553,-174.48636103305745,1624.9634000838837,-55.460170536158095,-581.6024319070287,44.308253922609595,-114.16908591390197,-78.37757800925971,20.353987297144528,17.59540018493456,-122.2261864380416,2.0748329696969683,0.034779151515153456,0.9289378769513333,-0.41324164554637144,-0.3831862920110187,-0.34280072727272726,-0.13434446280991852,-0.1716285619834711,-0.3724606611570237,7.233936605476968,-0.5734097430302796,-3.1527439701338915,0.24373289638022763,-0.3536475668573884,-0.061976242020551686,0.03006237283516769,0.029458044476523365,-0.10678689273112024,40.152540612476976,-3.6779728269701453,-17.640764710632737,1.2054541632954692,-1.81825944544061,0.019355760655304977,-0.011172996340494734,-0.011185704917320294,0.0346455563068524,39.43434343434349,0.4520202020202015,12.139118457300267,-4.966023875114793,-5.569559228650147,-7.181818181818193,-2.661845730027542,-1.914600550964184,-5.190082644628096,0.008472730201522014,-0.0051050685868350675,0.00109932023518342,-2.997637118169643E-4,-5.4868385964456336E-5,-2.2300056717090464E-4,2.6844391570702545E-5,2.3911214342013708E-4,-5.686284808831157E-4,33.0336238640955,0.7766675775940878,-1.816340254720519,-0.33425394989733637,-1.630320463163093,-1.8857136225895232,0.09329472176309482,-0.04398530096417819,-4.474009257257883,49.241315154057084,-1.6806112283684271,-9.087537998547324,0.49784554969224265,-1.4637062296654098,-1.1875390607463592,0.3570874964411321,0.3665708371861367,-3.1340047804626048,0.06287372635445358,0.0010539136822773775,0.014514654327364583,-0.004643164556700803,-0.004912644769372035,-0.00519395041322314,-0.002356920400174009,-0.0035755950413223145,-0.009550273363000608,0.21921020016596873,-0.01737605281909938,-0.049261624533342055,0.00273857186944076,-0.004533943164838313,-9.390339700083589E-4,5.27410049739784E-4,6.137092599275701E-4,-0.002738125454644109,1.2167436549235446,-0.11145372202939834,-0.2756369486036365,0.013544428801072688,-0.023311018531289873,2.9326910083795417E-4,-1.9601747965780235E-4,-2.3303551911083945E-4,8.883475976116E-4,1.1949801040710148,0.013697581879400044,0.18967372589531667,-0.05579802106870554,-0.07140460549551471,-0.10881542699724535,-0.04669904789522004,-0.0398875114784205,-0.13307904216995117,-0.6025293459619439,0.12974805157680364,-0.035379825001758666,-0.006475880225077857,-0.026319800331992813,0.0031683283820226338,0.028221380562452436,-0.06711278033861731,0.023511425231134076,-0.054984589707540776,-0.010118597683151546,-0.04935336401087683,-0.057084673190794535,0.002824235153458218,-0.001331531204240239,-0.13543803960669049,-0.03413010442776442,-0.18455108215765403,0.01011032195494121,-0.029725165241546402,-0.024116721030520965,0.007251786336817833,0.007444375440405641,-0.06364583826929708,0.016762386188721973,0.23085404936137455,-0.07384904356590453,-0.07813509798475708,-0.08260923464185979,-0.037486570891102584,-0.05686946278903098,-0.15189609264067624,-0.07926662539399901,-0.22472323138268668,0.012492903466021783,-0.020683084826370157,-0.004283714760067717,0.002405955787369705,0.002799638244310336,-0.012490866996932696,-0.09160000266153157,-0.22653658187431144,0.011131702841650541,-0.019158528944829094,2.4102784481451193E-4,-1.6110006316007403E-4,-1.9152392385023983E-4,7.301025109248836E-4,0.011462602459016364,0.15872542584528654,-0.04669368207773072,-0.059753802805800775,-0.09106045081967215,-0.03907935181190667,-0.033379226434426125,-0.1113650693568724,1.6028198132001732,0.8537838566457175,1.0856985957195604,1.0210144239145975,0.907872046750209,0.8527007581373146,0.9664530274531361,1.243914614741021,1.098152639587769,1.0934196535386713,0.985811870653286,1.0112122416081606,1.0069390764972768,0.9254967303306524,0.9509492775213838,1.1123020715505851,1.3742837955374052,1.3155613620593467,0.9359261957503054,0.9677758531059052,0.958215507791474,0.9251256330202714,0.9138625996904577,0.966610154889582,0.6888234946345739,0.6389902316780873,1.1373934758183126,1.097746294951567,1.0553732196741419,0.9040076331441781,1.0582686407703243,1.3484036792923233,1.5005875554399988,1.3916929905693727,0.9289142522999827,0.9524165997601881,0.9310849769734191,0.9204686981835459,0.9075560529410793,0.9040688281092625,1.5216542265678916,1.3978697906309878,0.9317906342067321,0.9510089005373664,0.9253198037983809,0.918543345509506,0.9092320982618348,0.894686535724641,0.5403005464480867,0.4550461065573764,0.8673213298950071,1.0782103825136597,1.2243852459016378,0.8992666091458142,1.0354764344262282,1.3212484237074382,88.97942258917308,44.51569245838455,70.17059092130721,89.32557643532688,6.871198187332836,44.51569245838455,0.49999999999992895,0.2906564803496752,0.02235819079612886,-1.606297145731063,79.69179644132345,6.1301381877941115,5.691616645033456,88.98960651886938,44.520808483880685,70.17759690037745,89.33474347454448,6.8719033441957285,44.520808483880685,0.49853115819735905,0.29053454880229845,0.02234881144633065,-1.6068426153132298,79.7210120334556,6.132385541035045,5.692093147148442,99.8482622363014,49.30514438260925,76.97532078292024,99.29580834360561,7.638139103354278,49.30514438260925,-0.7979889561161286,0.1711122527762827,0.013162480982790976,-2.2950661355228816,94.96840889155038,7.305262222426952,5.919607587807999,89.00029763404919,44.52617862111631,70.18495142511551,89.34436735742923,6.8726436428791695,44.52617862111631,0.4969896004378356,0.2904065468752647,0.02233896514425113,-1.6074154875340962,79.75176518469048,6.134751168053114,5.692594538016506,113.21944435426421,54.79974971969318,85.43040739966031,111.72088306517921,8.593914081936862,54.79974971969318,-2.164588528678351,0.027656575502088138,0.0021274288847760105,-4.664259297459016,91.77348313734561,7.059498702872739,5.875120421542938,90.06031280115579,45.05531600378537,70.91246244681913,90.30003705852573,6.9461566968096715,45.05531600378537,0.34626837175658665,0.2777230825773048,0.021363314044408062,-1.6654699978431489,83.28750946591403,6.4067314973780025,5.7489881690047655,92.09238301503665,45.46800705445474,72.75168126981197,92.68937784473061,7.129952141902354,45.46800705445474,1.2361471861471927,0.30721697375168944,0.023632074903976112,-1.5342613339781894,79.52812598998553,6.11754815307581,5.688943968669411,0,11.996724323192685,15.997786651029584,-0.329229545361275,0.27868569116067543,4.115833248135635,8.322963965496244,13.0,33.0,32.0,32.0,12.0,1.0,1.0,0.0,0.0,1.0,24.73813999999999,3.678595533252306,3.4265114351885133,3.1369091051016924,2.887252350773079,2.7057219165442574,2.3062886608470867,1.8669744999818951,1.6447417112102647,1.937632187638579,1.8305775592691205,1.6204461279177722,1.349039655766991,1.1684033339824382,0.9857332686686326,0.7992604836210238,0.6457246833384691,3.6234998471236124,3.4381648645532388,3.1435805906228373,2.835423278013567,2.666615956125929,2.3231193205634697,1.9183604082512922,1.5905700779078291,1.9126453345217553,1.7836027513084791,1.5503609762029953,1.2759594458337467,1.1447588176113168,0.9519754555356313,0.7168116361872292,0.5132169013248262,3.770627567711026,3.5795396848785255,3.305980310222812,3.037042733562505,2.912585383665498,2.6001385250910647,2.2583554287039664,1.9953879152701912,1.7345193837930086,1.5879420229488062,1.322417152051963,1.0150067890278232,0.8432782465838148,0.5943672411689616,0.2933868360325622,0.030010053511007842,3.623244481490807,3.4538189140679463,3.1635395578813994,2.843073853850891,2.6595633299201076,2.345588740384725,1.964686094533811,1.6388488156604977,1.904120080251581,1.7509622380342853,1.5070674960312995,1.2391534078775797,1.1440343129662538,0.9083151934905551,0.6455070324603208,0.4267868006768967,3.7989373478206354,3.6370141940062655,3.3743130058184763,3.0894084042185725,2.968999117817976,2.702512372482309,2.3990432980882064,2.147160992480774,1.697968990740437,1.5338690825999817,1.2555883507290424,0.9491934789063315,0.7924919076838378,0.50375892115762,0.16108113915902703,0.12883986439943182,5.1944274573944815,3.6692910527199256,3.4982516536634733,3.197651625220066,2.949660022082525,2.6600709395028828,2.5003885962292545,2.122087384263969,1.7929244113396425,1.6441577392790365,1.3879280741789903,1.0828442251907007,0.8424060311288741,0.609957064603513,0.3852835010138347,0.2115040277718444,0,0,1,0,0,1,9,0,0,0.0,0.0,0.0,0.08333333333333333,0.1422588984322123,0.0,0.0,0.0,0.041666666666666664,0.04647312798543378,0.49279927982674443,0.0,0.0,0.0,0.1767766952966369,0.0,0.0,0.0,0.777317076691169,1.1719283059363357,1.3200597415393833,0.3012795893042009,0.42746452271101404,0.4548698042205855,9.518661569058182,6.32569850269549,4.9871383458600285,3.5109239474390552,2.6817039261302944,1.8739737823030724,1.0776239311373856,0.61425077011113,0.7322047360813986,0.48659219251503766,0.3324758897240019,0.21943274671494095,0.14898355145168302,0.09863019906858277,0.07184159540915905,0.05118756417592751,8.550701099609734,5.521107303566926,3.853431897616772,2.584765594877553,1.7798624783046735,1.1808985236072176,0.6390738581413448,0.38901004536380446,0.657746238431518,0.42470056181284044,0.2568954598411181,0.16154784967984706,0.09888124879470409,0.062152553874064084,0.04260492387608965,0.03241750378031704,17.847876246692444,32.53969410050983,30.9529411764706,31.399999999999984,19.946023952095818,253.33428742514974,0.5408447347482559,0.9860513363790857,0.937967914438503,0.9515151515151511,0.6044249682453278,7.676796588640901,3.052500000000002,52.49000000000004,67.64104333657404,100.8899803998286,135.2820866731481,10.406314359472931,67.64104333657404,0.11294035733641622,0.00868771979510894,-2.8351640340313016,171.47898805463404,13.190691388818003,6.687798962608533,184,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,8.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.16769857016881,0.006242152725287831,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.4933236489040063,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.208962952464937,0.0,8.882738803854876,0.0,0.0,0.0,0.23435752078609196,0.0,0.0,0.006242152725287831,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.940111410304862,5.227587159863946,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.227587159863946,0.006242152725287831,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.23121141975308643,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.208962952464937,0.0,0.6304166666666666,0.0,0.0,0.0,0.23435752078609196,0.0,0.0,0.006242152725287831,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.940111410304862,5.227587159863946,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.940111410304862,0.006242152725287831,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.208962952464937,0.0,1.3062166950113379,0.0,0.0,0.0,0.23435752078609196,0.0,0.0,0.006242152725287831,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.940111410304862,5.227587159863946,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,27.5,2.1153846153846154,0.5559027777777779,10.940111410304862,0.02813350340136045,0.006242152725287831,5.334473901722727,1.660424513941379,3.9401114103048624,11.75332304526749,1.660424513941379,3.9401114103048624,11.75332304526749,6.16666,0.47436,0.0,0.02564,0.50404,0.81795,0.43333,0.50404,0.81795,0.07071,0.0,-0.07071,0.0,0.57994,0.13435,0.0,0.13513,0.16216,0.0,8.75,0.67308,7.25,0.55769,1.5,0.11538,-5.75,-0.44231,0.0,0.0,12.93831,0.99525,16.19995,3.26164,0.2509,5.30592,0.40815,6.32569,1.01976,0.07844,0.08831,0.00679,0.17431,0.01341,0.18181818181818182,13.02,2,2,2,2,0,0,0.9090909090909091,1.2112938253354986,1.829544229899348,3.019765515930169,3.945464952495108,4.124256907946324,4.02465216619472,39.97269623607145,60.374959586678486,99.65226202569558,130.20034343233857,136.1004779622287,132.81352148442576,0.2401267221938541,0.3626885977997353,0.5986379026851738,0.7821484323268724,0.8175921251115184,0.7978464947355414,3.833100294022955,3.2148498894591055,2.0246286034282845,1.0989291668633454,0.9201372114121291,1.0197419531637335,0.2380938914214851,0.35961820007115824,0.5935700387716256,0.7755270309798342,0.8106706695734234,0.7910921989565993,10.70172467385938,18.362845566201333,23.85818795342167,26.37496602912246,25.637514448227112,26.454772885303264,47.548175670650494,34.80156662330984,25.484842373125794,20.367724227871765,21.090897306622054,20.057509723375695,11.076923076923077,6.453333333333333,4.6875,6,3,6,2.4499999999999997,1.6243000000000014,0.0,2.0201727757868495,0.2886751345948129,0.0,9.735394939959647,5.811854252401617,0.0,0.4999999999999999,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.54,0.5840000000000001,1.254,0.385,6.775999999999999,15.0,16.0,18.0,19.0,15.0,12.0,10.0,8.0,5.0,144.0,2.70805020110221,2.8903717578961645,2.9444389791664403,3.091042453358316,3.1354942159291497,2.995732273553991,2.70805020110221,2.5649493574615367,2.3978952727983707,1.9459101490553132,5.117993812416755,1.1527777777777777,0.4444444444444444,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.38461538461538464,6.0,0.46153846153846156,0,5.0,9.0,0.8,2.0,0.666666666666667,0.5,0.3422222222222222,0.14583333333333334,0.10122448979591836,0.07465277777777778,0.05744520030234315,0.015625,0.0,0.15384615384615385,0.04444444444444447,0.038461538461538464,0.03422222222222222,0.018229166666666668,0.014460641399416909,0.01244212962962963,0.014361300075585788,0.0078125,0.0,0.338280096745658,47.309910122704,73.67875298925912,94.619820245408,7.2784477111852315,47.309910122704,0.21947208759906153,0.016882468276850887,-1.9714892835438944,113.66371592608175,8.74336276354475,6.153217497289021,26.3,201.39982558485568,4.700439718141093,4.04305126783455,4.77912349311153,5.556828061699537,6.315358001522335,7.105786129481271,7.874358824729881,8.671286726753637,9.445175311879977,10.245835351328815,90.03680316834155,3.295836866004329,0.0,4.465908118654584,0.0,5.82600010738045,0.0,7.282761179605593,0.0,8.79133399330135,9.047115310873217,184.14632988,5.580191814545454,25.56490370900963,1.9665310545392023,5.5451085061401635,5.5451085061401635,0.0,296.0,13.0,3.6710000000000003,56.0,1.283093909989351,2.225039944175307,2.992069250776214,3.7717260469005813,4.853785824905314,5.610161841747656,6.61250395005339,7.491783701816746,8.283620708426623,8.78729090011501,102.14044050111131,114.43546995245052,100.37160073766715,116.93448942539516,130.85969290709517,155.35420589044537,181.3019456761767,176.8026659617891,141.13487676545992,54.22840747925642,319.53681190635587,386.1744850693132,386.6022022591356,477.10761463697094,570.5051374630726,659.4537013617338,760.5577176418884,819.3827412643225,744.7247659247605,533.5487600916994,9.71172945766652,16.650618680313478,22.11535162683979,27.75249688020773,35.456993093849,40.527054825772865,48.24731510316429,54.9290640837783,59.44703589304859,63.514714243540816,2.261236997565507,2.944135926388528,3.1115967313683957,3.9200761049595885,4.802758417674714,5.575572409646972,6.392421887248787,7.035036777005105,6.882889801161927,5.580533589985089,183.875035341499,342.29296686871095,491.0960948029614,615.9038036502178,802.3904572221917,924.7705139026883,1096.6918090390857,1248.1683221665498,1399.3310192849763,1551.2448127480302,3.1257442930258557,5.242940524523391,6.018637814958847,7.862140722338154,9.663422653349599,10.140575872386583,13.002106644993434,15.15190477366735,17.25459872800727,18.142687075820252,0.4935519750122183,0.6642064347157257,0.7163196046667732,0.896810018453651,1.0922894310243485,1.2583364109010922,1.4674194753054002,1.6198038249203375,1.5907450745687588,1.3521689548820115,432.15434383515816,410.5151506597471,19.333681712479,83.09634469084948,-78.93547512980737,-18.097981385155336,349.05799914430867,489.45062578955446,37.431663097634335,0.8387263781663921,0.7967289705795825,0.037522864390123215,0.16127362183360797,-0.15319819436946383,-0.035124613684512966,222.66782321057028,211.51821402779245,9.961692814097486,42.815448815954646,-40.6715579097608,-9.324997369632156,0.27550978754140104,0.3287354550103234,7.719990452293521,3.2486183479858983,424.88970534804304,90.3609831779646,0.8246271471534317,0.17537285284656845,870.7726186551006,29.5088566138219,9.549227822968255,1064.5133402908532,32.62688063990876,10.210578990473849,1644.134746232388,40.54793146675164,11.80263932686001,1.3264155436305116,1.2059542586870975,1815.5254323130414,1639.3090991865338,376.73302506650066,1.1074942689050835,4.8191300244850215,4.351381456131073,5.954169282290192,5.645455691942199,10.80226725297087,0.9134446964819911,5.5780121848239625,8.921391261526812,3.4545890503067733,31.57784117078132,15.833480529020903,9.051688150719123,11.292359441032685,13.26722673015125,22.008345123397042,9.952529239675112,10.054919627968504,8.050780303089395,11.65947395872288,8.441169065395506,6.030877042180644,3.4212404724150565,4.913979716385379,4.102692373683009,1.9455119275043868,0.7766465789017944,0.03051894411698442,7.974112498694899E-22,5.096242176513987E-63,6.690290707776414E-126,1.7175425422624724E-210,8.5290053E-317,0.0,0.0,0.0,0.0,0.4681253029639745,9.408455022110894,0.3642233313303619,8.925888770967887,2.8057092065403255,1.1491397159267984,2.9090022297135913,2.5563861783130855,4.619475379743073,2.6156401086578036,2.5322858665208328,0.5709818133400867,3.286357094656508,4.238545002155825,0.2489560637386915,1.0805138174423445,0.2878216018129594,0.06827879560607752,0.13399894875977938,0.0054700672659947994,2.149474188060915E-4,5.616232633389099E-24,3.589325034488311E-65,4.712026448839719E-128,1.2096792560510432E-212,6.00705E-319,0.0,0.0,0.0,0.0,1.5111615412312929,8.502308749111315,0.8583203277175552,10.28933806430872,3.6533283901578057,2.364962434682747,3.728943578595974,2.8739315333513433,6.927574491760121,3.0113133261622256,2.974081533817066,1.6863422295341344,3.4661083617905404,4.162964717604907,0.9569890466952459,1.2691008854296109,1.0108649324157315,0.3818285362875608,0.4518546683629037,0.057001675248203196,0.002239917829290476,5.852547417803527E-23,3.7403534243516003E-64,4.9102948588398045E-127,1.2605790515660673E-211,6.259807E-318,0.0,0.0,0.0,0.0,5.265188917828418,9.406803782734206,3.476881458243399,29.88940642288197,15.276442187295617,9.461338708170029,11.025877906099446,13.232587787263386,20.81978826481863,9.613852999735283,9.870136760043419,7.853603096656854,11.42485601001105,8.911985447169412,5.527370695271505,3.17600560666629,4.552497236565202,3.6753014814513127,1.816247407594552,0.6919781758103927,0.027191829759126783,7.10479067406418E-22,4.5406600288615353E-63,5.960928571695938E-126,1.530299483305771E-210,7.59919E-317,0.0,0.0,0.0,0.0,2.2271734309479534,8.157979583623538,1.172336717879133,12.217291486600558,4.625754154843851,3.0589700162755755,4.566381055871776,3.5536107731368385,8.800700416946388,3.6341961320302842,3.493378773807214,2.4711545983410854,4.084824064580541,4.261447315313463,1.5787945272787252,1.4843361797707433,1.5729064537689041,0.7484883080094255,0.6854666102367618,0.12381505402385587,0.004865400837884737,1.2712515047644078E-22,8.124547448506127E-64,1.0665816579542986E-126,2.738146146929091E-211,1.359714E-317,0.0,0.0,0.0,0.0,6.736257539360458,9.228979577490206,4.455338272734005,41.49892381214524,21.725560916482845,11.770784560504948,14.084872788403375,18.040181085445525,28.15552030196769,12.860201767519207,13.500114540240915,10.55497836789746,15.11583130051596,10.541566309794483,8.15410025251387,4.446882308436803,6.341259060291548,5.889967058344061,2.44497233293117,1.1326657776998497,0.04450901177625142,1.1629493659711663E-21,7.432390261590189E-63,9.757160233248244E-126,2.5048743805402277E-210,1.24387523E-316,0.0,0.0,0.0,0.0,3.65884314370432,13.240405773869066,2.775573407449467,23.093651691167107,10.712758340625966,10.180431906947508,10.459165949340692,13.827578084800889,15.697849232074313,9.42124410141145,9.437987520982693,5.8493328508611535,11.853866384406201,15.167105480449695,3.2847856080116284,2.344890197482364,2.767089263756793,1.871007539847324,1.429716866580176,0.32517058998546167,0.012777827813685519,3.338642257239041E-22,2.1337207728657177E-63,2.8011251752281873E-126,7.191095073140456E-211,3.5709677E-317,0.0,0.0,0.0,0.0,10.404539468988126,1.7648120735841835,0.8277491421285145,0.8005277270211149,0.13578505825238263,0.557934988237954,0.48830619221087734,0.44787018574554066,12.997100684700824,28.435227174577957,56.63150468523646,0.7007915905316723,1.494111366194372,8.601985046785966,1.5496782982974042,0.5784240917138782,0.8016696133609061,0.1444236412261667,0.3929192355545732,0.38688601713407345,0.16613928515037463,10.730087436797248,19.202276199047915,37.64293582915402,0.7025044200413592,0.9459445378390212,9.52948869231043,1.499731583680818,0.6381439098233946,0.8167644842951355,0.12854073634765034,0.470470901448759,0.3581462526411495,0.28030383317801794,11.667364185814643,21.32990491741168,42.1174145729792,0.7251467264427032,1.1089209872679264,10.226684348599244,1.7794641238554159,0.856969620426154,0.7950392956634112,0.13833847368938276,0.539825249857121,0.49903370588281887,0.5022616160791558,12.863118092880814,28.486922403545567,56.94518899240503,0.6925589434951168,1.5411205718190957,9.941021553412217,1.5331709024072757,0.645148246468417,0.8202609199306967,0.1265061309909244,0.5099236033520109,0.3703643434145177,0.2747743138845176,12.119340702287909,22.64384012840827,44.59606911327187,0.7303913798960452,1.1550622606510461,10.47936073224418,1.8089618424164797,0.864163127993418,0.7967589525780302,0.13753763990417753,0.5659280388253689,0.5126583875138633,0.4892378165391537,13.152485702654078,29.57587897145823,59.11010088761689,0.6951384288670452,1.567824242878386,10.273820795994297,1.8055469999911495,0.8612283866932495,0.7939217522099992,0.13952579730506684,0.544903864977056,0.5142950615364442,0.5093465056927493,12.940596182678696,28.952960755865124,57.86922837981136,0.6908826283149987,1.5685454322062495 +UMLCN0201,L,epsilon-decalactone,CCCCC1CCCCC(=O)O1,Cyclic Esters,,C10H18O2,Marquardt (2015),IQT,PubChem,,40.5,0,-1.7833999999999988,3.1805155599999955,37.6071,31.206273999999972,0,0,30,12,18,0,10,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1972.866363999998,2092.7966399999996,2748.8225819999993,2926.1716509999987,2193.2280899999964,1525.405990999997,1099.1953209999979,724.9487750000001,183.67675200000002,5227.457971178753,6785.099716640765,9418.1203161735,10779.53639691962,8969.891173489259,6649.367984395755,5177.452117428001,3709.0838285104614,1828.5794776146095,223.04094400000014,226.08367199999998,432.8895600000001,616.4268040000004,573.0634320000003,451.3707319999997,350.43761199999994,278.8717160000001,193.64832000000013,37.178440287282015,49.16191758000001,72.82852326448997,85.6085603334699,74.09702532007393,56.07000842437607,44.77376701213106,33.806417219282,18.964327725885994,4967.363868941483,4357.3850488872,9027.378675736842,13657.34040865867,12748.578419908627,10228.852349114977,8009.205931261583,6555.779093830183,4675.625435556936,103.55555555555556,71.25,135.1388888888889,169.66666666666669,167.9166666666667,136.08333333333334,94.66666666666666,77.5,52.0,65.76221213333326,69.75988799999999,47.393492793103434,35.255080132530104,28.48348168831164,25.006655590163884,22.89990252083329,18.58843012820513,6.802842666666668,174.24859903929175,226.16999055469216,162.38138476161205,129.8739324930075,116.49209316219817,109.00603253107795,107.86358577975001,95.10471355155029,67.72516583757813,7.434698133333338,7.536122399999999,7.463613103448277,7.426828963855426,7.442382233766237,7.399520196721307,7.300783583333332,7.150556820512823,7.172160000000004,1.2392813429094005,1.6387305860000003,1.2556641942153444,1.0314284377526493,0.9622990301308302,0.9191804659733782,0.9327868127527305,0.8668312107508205,0.7023825083661479,165.57879563138277,145.24616829624,155.64445992649726,164.5462699838394,165.56595350530685,167.6861040838521,166.85845690128298,168.09689984179957,173.17131242803467,3.4518518518518517,2.375,2.329980842911878,2.0441767068273093,2.1807359307359313,2.230874316939891,1.972222222222222,1.9871794871794872,1.9259259259259258,0.27526916403696694,-0.1689916148844759,0.06870866942020956,-0.030769875778728223,0.012620835136543303,-0.01108594813678028,-0.02106702989628676,0.021114523641983296,-0.017006106852568755,1006.6749138666671,25.267702133332406,-76.65766640888947,109.37803796888848,-311.0588969244445,-181.70475959555552,-162.90999532000004,-31.72148382666629,-135.30853021333297,1473.866975849924,-55.13522666120973,-505.16007330400004,252.99624211487,-384.17671578911205,-54.78517649368156,-116.08968820150771,-106.62253605974244,-145.6809850629802,2.0453514666666663,0.028934933333335112,0.9182314311111128,-0.4276683911111084,-0.6439199644444411,-0.5809605155555536,-0.3304660800000009,0.008629493333330313,-0.17445525333333517,6.562765495179469,-0.5726984722666475,-2.814615555352686,0.9789408304991429,-1.4783824794370333,0.31949912751794546,-0.10288222062108376,-0.6262234784923115,-0.40023618704046177,36.5079274936994,-3.6782529991169883,-15.819486818818314,4.827705180943812,-7.891759501181653,2.4703371028407335,0.03354715009032616,-3.659900033818218,-1.8009411316649775,39.0222222222222,0.3611111111111121,12.036666666666669,-5.502222222222208,-8.181111111111097,-11.365555555555545,-4.479999999999993,0.7933333333333306,-5.786666666666662,0.009175638801232231,-0.005633053829482529,0.0011846322313829234,-3.7072139492443643E-4,1.639069498252377E-4,-1.8173685470131607E-4,-4.388964561726409E-4,5.413980421021358E-4,-6.298558093543983E-4,33.55583046222224,0.8422567377777469,-1.3216839036015426,1.3178076863721504,-4.0397259340836955,-2.9787665507468115,-3.3939582358333342,-0.8133713801709305,-5.011427044938258,49.128899194997466,-1.837840888706991,-8.709656436275862,3.0481474953598795,-4.989307997261196,-0.8981176474374026,-2.418535170864744,-2.733911181019037,-5.395592039369637,0.06817838222222221,9.644977777778371E-4,0.015831576398467464,-0.0051526312182061254,-0.008362596940836898,-0.009523942877959895,-0.006884710000000019,2.2126905982898238E-4,-0.006461305679012414,0.21875884983931562,-0.019089949075554915,-0.04852785440263251,0.01179446783733907,-0.019199772460221212,0.005237690615048286,-0.0021433795962725786,-0.016057012269033628,-0.014823562482980066,1.2169309164566466,-0.12260843330389962,-0.2727497727382468,0.058165122661973635,-0.10249038313222926,0.04049732955476612,6.988989602151283E-4,-0.09384359061072353,-0.06670152339499917,1.3007407407407399,0.01203703703703707,0.20752873563218394,-0.06629183400267721,-0.10624819624819606,-0.18632058287795975,-0.0933333333333332,0.02034188034188027,-0.2143209876543208,-0.6139140774292516,0.1291062406710947,-0.040402788618341304,0.017863273977526885,-0.019806452568393376,-0.047832795697417795,0.05900385290116579,-0.06864435523222781,0.025100160722470413,-0.03938760821579183,0.03927209275466337,-0.12038819717579906,-0.0887704613390618,-0.101143622109258,-0.024239345859332514,-0.14934594006189814,-0.03740855013690452,-0.1772817339486149,0.062043879372535506,-0.10155546081865457,-0.018280842073678156,-0.0492283607101665,-0.05564771907809033,-0.10982521749477833,0.01414668031626404,0.23220815575919146,-0.07557573310278204,-0.1226576030152733,-0.13969153516898264,-0.10098083550237133,0.0032454430952581544,-0.094770592501774,-0.087264808210397,-0.22183264557423643,0.053915386033536156,-0.08776683765856318,0.02394275988786517,-0.0097979103375564,-0.07340051513722962,-0.06776211565323359,-0.10075217224400886,-0.22412921641634007,0.0477965691194154,-0.08422037910800378,0.03327824859005367,5.743127656335015E-4,-0.07711496958592286,-0.054811265366825304,0.009253986332574064,0.15954657921608684,-0.050964678760600395,-0.08168283880128974,-0.1432419059710967,-0.07175398633257397,0.015638689328894295,-0.1647684130599848,1.6018262876803477,0.8504695708839854,1.1707419154273757,1.1977292762383531,1.012092886928272,0.9561190884088481,0.6304231566780836,0.5902441451774106,1.0691984793440081,1.063780594657629,0.9560935046058665,1.1149518714935998,1.060950483675162,1.0322189118385998,0.8872850519084584,1.0055226609398373,1.3627817896373853,1.297682682230387,0.9000815233743577,1.0340058995440002,0.9175654979953892,0.969276112709366,0.9594338400690527,0.9115207957812784,0.6853599603028293,0.6366055033671147,1.1835241909323861,1.308045460596976,1.300868764820064,1.021189365596237,0.6288721199182227,0.9506658075116006,1.500641168028964,1.3806671272761533,0.9078937660256132,1.0153011571540083,0.8618398711084677,0.9190736306214718,0.9570122390594525,0.8280539320505085,1.5235778240145437,1.3876742485466922,0.9178326831289646,1.0170780814782268,0.8555071211128477,0.9054926043376402,0.9474164108591178,0.8042079433604543,0.5381074411541386,0.4534453302961278,0.8654106745890173,1.2091197526846738,1.6294834571866024,0.9908883826879278,0.986918477308569,1.5620254365983306,66.5572685295736,33.5286342647868,50.29620860115986,66.97393519624026,5.581161266353356,33.52863426478682,0.5000000000000071,0.2885322249217381,0.024044352076811507,-1.4915382013233875,74.58529898063223,6.215441581719353,5.17433210782458,66.56998584053832,33.53425849936786,50.30484499683312,66.98542847236949,5.582119039364125,33.53425849936787,0.49853115819738747,0.28841928797384186,0.02403494066448682,-1.4920079958769235,74.63121519432148,6.219267932860124,5.175070624716908,78.24250888645307,38.722259965168504,58.7447117350646,77.57751808968969,6.464793174140808,38.722259965168504,-0.7979889561160576,0.16838564345781004,0.014032136954817503,-2.1377981201207445,94.64020543180612,7.886683785983844,5.460098868400226,66.5833341546476,33.54016187754274,50.313911361372476,66.9974921550125,5.58312434625104,33.54016187754275,0.4969896004378711,0.2883006715132572,0.024025055959438102,-1.4925016141482084,74.67959685697666,6.223299738081388,5.17584830446321,92.63691589172817,44.55513477712601,69.03755769942462,91.3988160612711,7.6165680051059255,44.55513477712601,-2.1645885286782587,0.04035936348843244,0.0033632802907027034,-3.851918225367139,74.2771806696838,6.189765055806983,5.169364536385252,67.89534409332143,34.12080623253901,51.21223715139401,68.18390106978524,5.681991755815438,34.12080623253902,0.34626837175660086,0.27628415333583667,0.023023679444653056,-1.5435904821684594,80.5747923145396,6.7145660262116325,5.267023020187212,66.6914393454308,33.406781800445216,50.74578647162015,67.23802459453182,5.603168716210985,33.40678180044524,1.2348809523808768,0.3087689309995487,0.025730744249962394,-1.4101944935296096,63.644463860631596,5.3037053217193,4.983974812059532,0,11.99673896105665,15.997786225168802,-0.3292275417174785,0.2786800641962651,4.282472110994503,8.567820415866768,12.0,30.0,29.0,29.0,11.0,1.0,1.0,0.0,0.0,1.0,22.55172599999999,3.666645067146998,3.3549696148919677,3.0847568254389865,2.9605477985355475,2.495136506168825,2.0150551071587968,1.6849673724141614,1.5780770489945797,1.8963352154823212,1.793247383556617,1.615118673308391,1.332222445741051,0.9980102399091823,0.8707626063679306,0.7020045096488945,0.5719036170478171,3.6161372481944856,3.3674943377040587,3.0512469834195137,2.9064932347467005,2.508286459960119,2.0022500488814345,1.7097612002064755,1.5429473382843617,1.847959138760926,1.7507146902576622,1.6044220998066019,1.2588934055735281,0.9190911700292168,0.833208890177102,0.6313604569059327,0.430722896187116,3.7623247943227702,3.5120753471393384,3.222138216113688,3.129822576111599,2.7646341723888024,2.3255509542428214,2.0904077027066212,1.9623165365003497,1.669149217339522,1.5549027821961925,1.3710902674761247,0.9711652334647611,0.5872196228213492,0.4476212824956996,0.18174759547738553,0.08010585562989998,3.616892050933798,3.3862400484275477,3.0643501643568496,2.894211706355328,2.5270767396842606,2.0345630811577853,1.7445974333529215,1.5898097730773595,1.8221104883444745,1.7354727219952713,1.5886431638051166,1.2128234375686318,0.8910665095340201,0.7925752739502382,0.5587474655084179,0.3400494338967379,3.7926631999443017,3.573889697754584,3.278941524083856,3.1693075922315104,2.8567119390722064,2.445381211121747,2.2233740269254145,2.1132066211272984,1.6200698605551438,1.512527564424411,1.3244617061837887,0.891244971061893,0.5126793762585273,0.353835301938066,0.04132394753750314,0.2502050465306425,5.182545975681927,3.665815360191471,3.4219065062824394,3.1633781494871593,2.8127440678151614,2.7386733650892463,2.114927327984119,1.956550771884078,1.757926487016944,1.6037401520626413,1.3653598773168323,1.0229395036497897,0.6634486207498198,0.4737077092107106,0.2654612364749574,0.1230326117335866,0,0,1,0,0,1,8,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.49279927982674443,0.0,0.0,0.0,0.1767766952966369,0.0,0.0,0.0,0.777317076691169,1.1719283059363355,1.3819249883391027,0.30127958930420085,0.42746452271101404,0.4881555746673639,8.811554787871634,5.82569850269549,4.6335849552667545,3.260923947439055,2.4855378131652377,1.8456919920342307,1.227914189334374,0.6505687470188686,0.7342962323226362,0.4854748752246241,0.3309703539476253,0.2173949298292703,0.1462081066567787,0.10253844400190171,0.06821745496302077,0.05421406225157238,7.843594318423186,5.021107303566926,3.4998785070234977,2.3347655948775534,1.5801478556240025,1.1067927289413206,0.6972086418038447,0.33398026764937255,0.6536328598685989,0.41842560863057715,0.24999132193024984,0.15565103965850355,0.09294987386023544,0.06148848494118448,0.038733813433546926,0.027831688970781046,16.306048442906576,29.651857246904584,28.227450980392167,28.63999999999999,18.147469461077847,230.30603233532938,0.5435349480968859,0.9883952415634861,0.9409150326797389,0.9546666666666663,0.604915648702595,7.67686774451098,2.6624000000000017,47.873000000000026,63.627577049090974,90.42584516176309,127.25515409818196,10.604596174848496,63.627577049090974,0.10553467535564337,0.008794556279636948,-2.698458844453738,54.797119483397424,4.566426623616452,4.804365154081015,134,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,7.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.308842120181406,0.007965797430083521,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.3504907171201816,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.165201247165533,0.0,7.295814909297052,0.0,0.0,0.0,0.2221759259259255,0.0,0.0,0.007965797430083521,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.034397675736962,5.274444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.274444444444445,0.007965797430083521,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25241106859410434,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.165201247165533,0.0,0.6276041666666666,0.0,0.0,0.0,0.2221759259259255,0.0,0.0,0.007965797430083521,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.034397675736962,5.274444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.034397675736962,0.007965797430083521,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.165201247165533,0.0,1.1885421390778532,0.0,0.0,0.0,0.2221759259259255,0.0,0.0,0.007965797430083521,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.034397675736962,5.274444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,26.0,2.1666666666666665,0.5559027777777779,11.034397675736962,0.0016666666666665941,0.007965797430083521,4.545251316137565,1.6587008692365832,4.034397675736962,11.948086734693877,1.6587008692365832,4.034397675736962,11.948086734693877,5.66666,0.47222,0.0,0.02778,0.51111,0.82778,0.43333,0.51111,0.82778,0.07778,0.0,-0.07778,0.0,0.57047,0.14382,0.0,0.14706,0.17647,0.0,8.25,0.6875,6.75,0.5625,1.5,0.125,-5.25,-0.4375,0.0,0.0,11.65383,0.97115,14.94685,3.29302,0.27442,4.80592,0.40049,5.82569,1.01976,0.08498,0.08831,0.00736,0.17431,0.01453,0.23333333333333334,12.02,2,2,2,2,0,0,0.9,1.2309595631140104,1.8879430945989002,3.1144093452479407,3.881727678869736,3.986569246460625,4.2817276788697365,36.928786893420316,56.63829283796701,93.43228035743822,116.45183036609208,119.59707739381875,128.45183036609208,0.25086346213132865,0.3847534518679788,0.6347011991739165,0.7910768751077791,0.8124430673120069,0.8725948939439817,3.6759310324945083,3.0189475010096185,1.792481250360578,1.0251629167387826,0.9203213491478937,0.6251629167387822,0.24846806343406366,0.3810795891637709,0.6286406815810524,0.7835231863403107,0.8046853609943672,0.8642628209731508,10.951514860761312,19.101644879913323,24.5549569578831,25.32827958201968,26.89956486729856,27.19703292388634,43.82582840006724,31.219631494328727,22.78261703522203,20.579882973907385,18.382504581311917,17.23736217976269,10.083333333333334,5.612244897959184,4.0,4,3,4,2.34,1.4834000000000012,0.0,1.9118757764740868,0.4082482904638629,0.0,8.092439745984269,6.084296309232714,0.0,0.4999999999999999,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.54,0.5840000000000001,1.254,0.385,6.276999999999999,14.0,15.0,17.0,18.0,18.0,12.0,7.0,5.0,3.0,133.0,2.6390573296152584,2.833213344056216,2.8903717578961645,3.044522437723423,3.091042453358316,3.091042453358316,2.833213344056216,2.1972245773362196,1.9459101490553132,1.6094379124341003,5.043425116919247,1.1578947368421053,0.42857142857142855,1.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.25,4.0,0.3333333333333333,0,4.0,7.0,0.75,2.0,0.666666666666667,0.625,0.33,0.1355555555555556,0.09637188208616777,0.040816326530612235,0.0,0.0,0.0,0.16666666666666666,0.04761904761904764,0.041666666666666664,0.033,0.01936507936507937,0.019274376417233556,0.013605442176870744,0.0,0.0,0.0,0.34119727891156465,36.459950341364895,54.35629607724227,72.9199006827298,6.076658390227482,36.459950341364895,0.21455477747246687,0.01787956478937224,-1.8470282404609724,156.91439155023943,13.076199295853286,6.066840455856972,26.3,184.10384095898903,4.584962500721156,3.970291913552122,4.709530201312334,5.493061443340548,6.255750041753367,7.048386408721883,7.819636302367592,8.614501373883236,9.389573832170905,10.184635826136912,87.4853673432389,3.2188758248682006,0.0,4.394449154672439,0.0,5.726847747587197,2.70805020110221,7.136483208590247,5.093750200806762,8.591372589590488,8.88723835429314,170.130679816,5.671022660533334,23.612267846170433,1.9676889871808694,5.553906464216158,5.553906464216158,0.0,211.0,15.0,2.8910000000000005,52.0,1.29224204461447,2.2324880611144207,2.9657360755277486,3.6659938447509837,4.659115567730212,5.6490205698116425,6.485032358798498,7.5627102519961715,7.790205045146884,0.0,105.33443985791556,117.77947259481603,113.67606166885513,119.31698034033892,129.59598752856172,144.28841119165816,133.58987242419713,51.44454174557344,7.915346898992124,0.0,323.0157919064643,386.61064710800605,407.41883747771953,466.18602531294994,546.824947876132,645.3376341410426,658.6629912293731,511.44371691058586,242.14874268788927,0.0,9.834721697986026,16.811403543211735,22.11263947039248,27.36684664327289,34.57334907262691,41.22657736518263,46.65505880070034,54.26595217746577,52.33821214843772,0.0,2.268309708081375,2.927268581881319,3.1827566211294522,3.7643916054684623,4.529949790797463,5.4848047921116505,5.885675927759899,5.302377009963197,3.463625694492091,0.0,185.40209395578486,344.27358829932035,484.89690826029874,599.7303730220018,773.1870636042534,936.5882660617004,1080.0220947689302,1310.1495669069684,1440.5464257360206,0.0,3.2500768030465346,5.5711842710908055,6.239370188509437,8.217717869116365,10.56644787776984,11.257821709564709,13.595902766725349,14.625025844693292,7.790205045146884,0.0,0.49918050409971104,0.6667034816054905,0.7390880814510228,0.8810598638504312,1.0546208817445089,1.2492310668296802,1.3406631870790626,1.2448775345018093,0.7977169966230409,0.0,412.51909522591075,369.881607543791,18.899017406218245,114.21696969854081,-102.41163827274676,-17.69881326331854,298.3021255273699,472.29324581653776,36.59783066953679,0.7831609086518072,0.7022143197976053,0.03587948246704711,0.2168390913481929,-0.19442685833071904,-0.033600914085609536,217.2886849254913,194.82998244554682,9.954794059490114,60.162197166604706,-53.943903346252974,-9.3226032521531,0.29188136442458085,0.3482718986215721,8.738670083005632,2.320902853692812,441.26316265977744,85.47290226467405,0.8377310612347509,0.162268938765249,784.3101653613737,28.005538119475116,9.222088408183163,958.6768148335511,30.962506598038072,9.860313914473483,1537.3622569175482,39.20921137841908,11.541406517171193,1.951408897617524,1.8638270413790599,1231.06876994182,1128.2893237834,302.22213969501615,1.0910931655488665,4.0733904246199115,3.7333112819663037,5.2589627084539385,5.589033930739981,9.518016878635697,0.7029806933692249,5.020209965957863,8.922742716807841,3.4334734297839664,25.727791345790276,15.997912557517449,12.176528017671231,16.569035595578292,12.670213525785384,9.438784133185404,10.046756195406505,9.55295511145111,6.890418013036028,6.8104313607970015,4.272947435931415,4.462350945467893,0.8921610963593938,0.23065510882347295,0.9698006070887256,8.147108629549953E-11,1.3224536558648097E-42,4.1403143982501114E-96,2.500127085252724E-171,2.911834947686452E-268,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.42131143940879967,9.791724977962193,0.28126541760215706,9.176301847826625,3.0582275467525912,2.5559345447366804,3.2585001485523124,1.8725595718016055,1.60130881752182,1.8826758093648683,1.3636904422295137,0.2672445080000202,0.49373200466723605,0.8025035156964816,0.2154023859380827,0.057837879785088815,0.0016488635433014607,0.006830384971749136,5.73807522285811E-13,9.314149229056212E-45,2.9160572840863196E-98,1.7608599485039137E-173,2.0508291623570685E-270,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3600446726521336,8.174725907393944,0.7891192562386252,10.253595382218885,4.074757722823417,3.2608348701544227,4.3319320843211395,3.3027996558779242,2.576922429569906,3.142416496938065,2.3987479353085415,0.9446159099283065,1.3837510886766526,0.9824735108765889,0.7206080399759612,0.197612064525014,0.01699131609621792,0.07117787766012026,5.9795167901432655E-12,9.706061621356817E-44,3.038756519216319E-97,1.8349518293567198E-172,2.1371221069356087E-269,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.738668694156469,9.788937351635933,3.207850996693801,25.526152956868447,15.299108068911767,12.022778273354826,16.231460014030393,12.19870740044845,9.320083433992012,10.078813131548445,8.826425327061388,6.267608550791578,6.3980449323225095,4.112758987085591,4.257727185228997,0.831028431855652,0.20552630940373437,0.864074881069644,7.258927112112846E-11,1.1782823985249966E-42,3.68894558851477E-96,2.2275682218160347E-171,2.594392515044503E-268,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0044556085544354,7.560288663053311,1.174118611968262,11.594043817751635,5.144446932067919,4.05076869169517,5.464133289819594,4.396947313347664,3.3015252456533712,3.95665703321013,3.2982861377852046,1.6109947206738344,2.0839943538125203,1.274803431757154,1.1283280630755383,0.30243867306074323,0.03684751206635697,0.1546078615375388,1.2988309490855032E-11,2.108286282986958E-43,6.600585218523867E-97,3.985760571787719E-172,4.6421147926842465E-269,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0626305751210605,9.471715228519772,4.383961430148046,32.15827322565686,21.584500644353515,15.94490519413176,21.774768567848533,16.561156208427725,12.34624478819287,12.767227518645623,12.498653062496532,9.51854562598874,8.955460959089491,5.655427924707622,6.091231562510113,1.1337174152819147,0.3363094061077395,1.4143630420524846,1.188179225811528E-10,1.9286743708042028E-42,6.038259436588475E-96,3.6462003879652577E-171,4.246637612372377E-268,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.2891497869199804,14.486253585622043,1.9799608762656116,21.627120055312115,11.130125203930357,12.62579240585986,14.397533083984644,9.210640908303251,9.494398089547143,8.826670145400064,5.601080322212898,3.4686226227738928,4.61363148817716,4.912771507857834,3.7249692827265783,0.5176207133625422,0.0961380699297378,0.4036631038870867,3.391096203766891E-11,5.5044897226422896E-43,1.723335857752388E-96,1.0406356234142454E-171,1.2120020593908232E-268,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.614527280302588,1.5836423813582774,0.8743244942282311,0.7559723701453422,0.15722445273719693,0.5510512338324045,0.4876359991002468,0.3739876402676893,10.072494155889096,20.100873152353053,40.716573695529405,0.6339585552180134,1.4126748732003407,6.230231326034865,1.2549613929517236,0.6052079817737838,0.7700769784430233,0.15511733464991131,0.385907150405111,0.34629557793783006,0.14176062783096796,8.090400700760371,12.348798161977873,25.171138378703834,0.6551154676645349,0.8739633561739091,6.858800672165486,1.2979179365706224,0.689034220273846,0.7753778343966169,0.14672780956687545,0.45044757327619583,0.33930853375384556,0.24786849927168117,8.845752829009955,14.52241866232988,29.502064652170013,0.6630667515949253,1.0376246063017225,7.492350574964185,1.5641642351263902,0.9130710464110128,0.7515207434698109,0.1568936019650538,0.5345282794011957,0.4799461553151815,0.42742710036627657,9.969585856501588,19.98850826087386,40.65861732345365,0.6272811152047163,1.4419015350826538,7.170004479040283,1.3734756569701616,0.6881390664001007,0.7766789684271274,0.1487794965168756,0.48958368412473535,0.3695053780446346,0.2370104645856436,9.231619202410545,15.726929056930887,31.73522247041948,0.6650184526406911,1.0960995267550135,7.689588235895951,1.6216588732227653,0.9119399794947777,0.7521713306470302,0.15862556942041647,0.5618358965530194,0.5108724200846084,0.4065055718918583,10.223187088613495,20.96118749193059,42.556164894189685,0.6282569959705453,1.479213888529486,7.560140464054878,1.57241511832524,0.9309831866376189,0.7512407551238355,0.15624872665728473,0.5443607838888782,0.4856440373843709,0.4466686813194826,10.063538769017736,20.389934860571703,41.52070305787248,0.6268611326857532,1.4766735025927318 +UMLCN0202,L,whiskey lactone,CCCCC1C(CC(=O)O1)C,Cyclic Esters,,C9H16O2,Marquardt (2015),IQT,PubChem,,27.2,0,-0.7859999999999979,0.6177959999999967,37.4076,28.112687999999974,0,0,27,11,16,0,9,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1826.5701149999982,1924.3183429999995,2676.1800539999995,2264.8527069999977,1738.7803159999967,1312.5222699999977,902.4385919999999,407.1260370000001,63.621936000000005,4741.773580567562,6132.109582150399,8729.700617950386,8760.835987152373,7245.377449388594,5560.556008815167,4170.6537724728805,2477.158070116112,712.297058340354,202.0635000000001,204.30789200000004,390.183768,513.4348599999997,480.0048079999997,379.0146639999998,287.5527120000001,215.96310000000017,129.19046399999996,33.50031447758399,44.145928960000006,66.14725740449,70.69730479867796,60.65982627322508,46.51371157898006,35.75223815273502,23.778464075036982,8.273497530735003,4470.7342088029845,3924.345597371401,8108.643389459441,11305.96597137063,10841.296695996776,8564.712917380231,6530.250776222986,5071.357026103138,3329.3176104521854,100.58333333333334,67.27777777777777,125.86111111111114,147.33333333333334,138.33333333333331,117.91666666666667,84.16666666666666,66.5,36.0,67.65074499999993,71.27104974074072,51.46500103846153,32.82395227536229,26.750466399999947,25.73573078431368,23.139451076923073,13.570867900000003,3.534552,175.6212437247245,227.11516970927403,167.87885803750743,126.96863749496194,111.46734537520913,109.03050997676797,106.93984031981745,82.57193567053706,39.572058796686335,7.483833333333337,7.566958962962964,7.503534,7.441084927536228,7.384689353846149,7.431660078431369,7.373146461538464,7.198770000000006,7.177247999999998,1.2407523880586664,1.635034405925926,1.2720626423940387,1.0245986202706951,0.933228096511155,0.912033560372158,0.9167240551983338,0.7926154691678994,0.4596387517075002,165.58274847418463,145.34613323597782,155.93544979729694,163.85457929522653,166.78917993841193,167.93554739961237,167.4423275954612,169.04523420343793,184.96208946956585,3.725308641975309,2.4917695473251027,2.4204059829059834,2.135265700483092,2.1282051282051277,2.312091503267974,2.158119658119658,2.216666666666667,2.0,0.272729854767653,-0.1667172206219565,0.07792964080052146,-0.03807625322323475,0.007498126053931621,-0.008059791565931815,-0.02103575940598323,0.02044891598457814,-0.008352585405751508,922.6349066666663,24.82485688888802,83.78111819752996,-176.3326439259264,-129.94134541975325,-138.2139392592594,-167.8627404074075,-153.63299262962943,196.0602332222228,1322.5457778512666,-54.73807303627316,-203.29586506877422,-225.993424164009,-123.64702306823375,-33.38364978989961,-115.68238470956709,-329.25594291743676,424.72347382856304,2.0128320000000004,0.02179200000000076,0.92688,-0.47329600000000016,-0.433636000000001,-0.5192400000000004,-0.3750040000000002,-0.04393200000000119,-0.10998000000000069,5.891545143312006,-0.5718291413333192,-1.4694768025428777,-0.9792325997646678,-0.44594828819011795,0.25304723123599476,-0.09966368869433695,-1.6281897680136717,1.9955204856469895,32.86331333940826,-3.6785954317408898,-8.531524390296985,-5.478965857786687,-2.4327165039015064,1.8476243903263843,0.03217197739438937,-9.12852254397616,10.938871690277344,38.82921810699592,-0.5257201646090517,11.893728090230148,-6.393804298125282,-2.6135497637555227,-10.436671239140367,-5.089734796524917,-1.751600365797896,-4.49725651577503,0.010101105732135296,-0.006174711874887278,0.0014986469384715667,-5.518297568584746E-4,1.1535578544510187E-4,-1.580351287437611E-4,-5.393784463072623E-4,6.816305328192714E-4,-4.6403252254175045E-4,34.17166320987653,0.9194391440328897,1.6111753499524992,-2.555545564143861,-1.9990976218423577,-2.710077240377635,-4.304172830959167,-5.121099754320981,10.892235179012378,48.98317695745432,-2.0273360383804873,-3.9095358667071967,-3.275267016869696,-1.9022618933574422,-0.6545813684294041,-2.9662149925530024,-10.975198097247892,23.59574854603128,0.07454933333333334,8.071111111111392E-4,0.017824615384615387,-0.006859362318840582,-0.006671323076923093,-0.010181176470588242,-0.009615487179487184,-0.0014644000000000397,-0.006110000000000038,0.21820537567822243,-0.021178857086419228,-0.028259169279670725,-0.014191776808183591,-0.006860742895232584,0.004961710416392054,-0.002555479197290691,-0.054272992267122386,0.11086224920261052,1.217159753311417,-0.1362442752496626,-0.1640677767364805,-0.07940530228676357,-0.037426407752330866,0.03622792922208597,8.249224972920352E-4,-0.3042840847992053,0.6077150939042969,1.438119189147997,-0.019471117207742656,0.2287255401967336,-0.09266383040761278,-0.04020845790393112,-0.20464061253216406,-0.1305060204237158,-0.05838667885992987,-0.2498475842097239,-0.6112906882306233,0.14836464226919485,-0.054630628714528076,0.011420114639342217,-0.015645329623765226,-0.05339796064022011,0.06748078387604205,-0.04593878480704286,0.026906479160404083,0.04714945655577064,-0.07478551888001868,-0.05850161900415093,-0.07930773587849099,-0.12595737013219613,-0.14986393032343961,0.3187505130234407,-0.041388414641651064,-0.07981384854034541,-0.06686514065256564,-0.038835004414060445,-0.013363391455763653,-0.0605557903099954,-0.22406056076723446,0.4817112733730198,0.010826536938999756,0.23909825329914042,-0.09201104841769989,-0.08948870202626125,-0.1365696514691154,-0.1289815314175023,-0.019643368149950453,-0.0819591500930038,-0.09705928197502672,-0.1295072093977338,-0.06503862136335065,-0.031441676786871695,0.022738717600197272,-0.011711348491519936,-0.24872435932630874,0.5080637855874552,-0.11193623094995958,-0.1347955979403,-0.0652381924975195,-0.030748969188726633,0.02976431739837265,6.777438171511528E-4,-0.24999519082960722,0.49928950760238433,-0.01353929309522542,0.1590449122177699,-0.06443404072962185,-0.027959058058151857,-0.142297393760111,-0.09074770812357572,-0.04059933230883361,-0.17373218165439003,1.5943471967719585,0.8227281576503818,1.048346635350495,1.0464087800190167,0.9986314269514543,1.0384920529405646,0.7133785239560296,0.6658624661683524,1.0357610659051566,0.9638506180227197,1.0511692923227258,1.007434943208595,1.045458275512079,1.067791337846341,1.014621255315465,0.5277441509980879,1.348969627505196,1.1908249655234242,1.0329010604812157,0.95507653291793,0.9068840754825145,0.9649561829893585,1.0986551217864027,0.136707855415925,0.6824183446415204,0.6292169440867391,1.1120452913239085,1.0891321282650508,1.2626772120272407,1.1293249179928242,0.7345916599100168,1.214041708398912,1.5007053984533096,1.281727963082009,1.0338164613335008,0.9351993401065946,0.8545175724431916,0.9019248515859041,1.0944442778658903,0.006722971118105279,1.5258692907259361,1.2920408048821383,1.0364088959282287,0.933274511039483,0.8495235947493723,0.888169701140839,1.0825190787301469,2.534562773887715E-5,0.5641990355572036,0.4560569127232257,0.8954941214147306,0.890652323671241,1.5241032770481928,1.0931058237507278,1.1950479571829782,2.0087965661597145,57.038648490917005,28.76932424545849,43.466034070389014,57.44773940000789,5.222521763637081,28.76932424546005,0.4999999999999716,0.3149655627681014,0.02863323297891831,-1.2708211677464354,53.002730864153236,4.818430078559385,4.367377781759803,57.0486968741737,28.77361401618554,43.472507767695106,57.456586003607924,5.223326000327994,28.773614016187096,0.4985311581973768,0.3148405942588568,0.028621872205350618,-1.271257700036377,53.00793354816755,4.8189030498334136,4.3674857511316025,66.33184620022797,32.766928622055936,49.87658740515969,65.67894614522389,5.970813285929444,32.76692862205596,-0.7979889561160931,0.18147904005962795,0.016498094550875267,-1.8772766250819894,84.72523797436884,7.702294361306258,4.883354878902363,57.05924400973407,28.778116805085975,43.47930394283831,57.46587186463779,5.224170169512526,28.778116805087524,0.49698960043788176,0.3147093451814083,0.02860994047103712,-1.271716357811528,53.01342150251076,4.8194019547737055,4.36759962912873,77.17902209938248,37.32099523189136,57.87449208764176,75.80155667204173,6.891050606549247,37.32099523189136,-2.164588528678337,0.034962838161543525,0.003178439832867593,-3.6888165032174065,63.725382128910496,5.793216557173682,4.570041241452246,58.09678658888062,29.221527480318613,44.153602792515656,58.38009707486331,5.3072815522603,29.221527480319576,0.3462683717566115,0.3014291434109855,0.02740264940099868,-1.3191423343968638,53.6935605300406,4.881232775458236,4.381622386550928,62.157310950104446,31.043116136969697,47.76115197556075,62.67254263200278,5.697503875636617,31.043116136969903,1.1335097001763508,0.3112465171482516,0.028295137922568325,-1.2838870232660586,50.537047877233384,4.5942770797484895,4.3149773575084875,0,11.996756301839884,15.997785799544898,-0.3289254465039856,0.27903947751417335,4.076910101633047,8.471074653716647,11.0,27.0,26.0,26.0,10.0,1.0,1.0,0.0,0.0,1.0,20.365311999999992,3.7280292895414187,3.3181998409886937,2.9325774383396856,2.7564365772767174,2.2324657492135382,2.0678800392413654,1.6733256889618706,1.2374966632515092,1.8879299909749399,1.7362854833196135,1.4704740165786034,1.2958722726461018,1.0528836478756867,0.7628465728386585,0.564996706054445,0.3679742511474751,3.665800091259783,3.3306655588332026,2.8567128861153703,2.765880191845864,2.2299094104824464,2.0172322238206832,1.6975616371929203,1.323172101533101,1.8373921848531434,1.6799277606175944,1.4880106277980156,1.2471387089813797,0.9766958663654379,0.6899673249219086,0.45122616503676727,0.3483996046845208,3.8074017251988073,3.482654639854049,3.066802048062759,2.9978709658099496,2.5149651567833113,2.36317093908314,2.080315978273019,1.7893161940830165,1.6666482829409013,1.4783293047282813,1.2321880533286724,0.9402357794069149,0.6095744173675932,0.26410931961378387,0.026791148420955882,0.1631592690492411,3.6603697336454517,3.3491243540221203,2.8625509591126983,2.774659694003389,2.261578915162282,2.0089784404616036,1.7481931145571699,1.4044665964657193,1.8064964244692225,1.654545445494387,1.50984386458553,1.20043566048382,0.9194666235549489,0.6346119458831818,0.392040993839048,0.2719251684495827,3.828532993993749,3.545549749168167,3.116292003833082,3.0799172731591797,2.6217625980391506,2.437548523345402,2.2272014971535508,1.9837922315677385,1.6186999747405146,1.4268113654478918,1.2099284706205817,0.8549751865573777,0.4993329609349802,0.14818691811843648,0.15391170325501904,0.341067574754181,5.0822205891473,3.6570264714995853,3.3864481583441304,3.002749345421992,2.762016429310288,2.440532292490584,2.1307958979788286,1.7471203277975895,1.774921537886403,1.5466004895153445,1.1948238475132418,0.9288779457720806,0.7081903875240683,0.3695517319820105,0.13278472337176778,0.12067191229757182,0,0,1,0,0,2,5,1,0,0.0,0.0,0.09622504486493763,0.26049147147385243,0.28042033078536077,0.0,0.0,0.048112522432468816,0.10177506833741705,0.09160769601007154,0.6910440616569955,0.0,0.11785113019775793,0.0,0.39085287035933247,0.0,0.06804138174397717,0.0,1.3013434020817412,1.9611604181749083,2.0419603123012635,0.7292045542587001,0.8787406380103661,0.7810842035773388,8.267584713501616,5.236382105218448,4.456168301080214,3.212478510010624,2.541167053369374,1.569223090935254,0.7071970260819976,0.35463784747359595,0.7515986103183288,0.4760347368380407,0.3182977357914439,0.200779906875664,0.1337456343878618,0.09807644318345338,0.07071970260819976,0.05066254963908513,7.2996242440531685,4.431790906089885,3.3519478432887717,2.2483345810441735,1.4761925208137614,0.8340326920352297,0.43718039937055014,0.1632270921763177,0.6636022040048335,0.40289008237180773,0.23942484594919797,0.14052091131526084,0.07769434320072428,0.052127043252201855,0.04371803993705502,0.023318156025188243,14.764220639120705,26.76402039329934,25.501960784313734,25.879999999999992,16.348914970059873,207.27777724550901,0.5468229866341002,0.9912600145666423,0.9445170660856939,0.9585185185185182,0.6055153692614768,7.67695471279663,2.1282000000000005,43.186000000000014,46.417876360550444,67.91417739166498,92.83575272110089,8.439613883736442,46.417876360550444,0.03740872276223267,0.0034007929783847883,-3.6144365101004476,49.75139536050446,4.522854123682223,4.297742361724466,117,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,4.0,0.0,0.0,0.0,2.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.941527305366591,-0.015182350718064619,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0223657171201816,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.242724395313681,0.0,4.014726946334089,0.0,0.0,0.0,0.6495370370370366,0.0,0.0,-0.015182350718064619,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.804814342403628,5.136712962962963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.136712962962963,-0.015182350718064619,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25241106859410434,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0885185185185184,0.0,0.6194255479969765,0.0,0.0,0.0,0.21060185185185154,0.0,0.0,-0.015182350718064619,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.804814342403628,5.136712962962963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.804814342403628,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1542058767951624,0.0,1.1813199168556312,0.0,0.0,0.0,0.43893518518518504,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.804814342403628,5.136712962962963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.833333333333332,2.2575757575757573,0.5559027777777779,10.804814342403628,0.0641666666666666,-0.015182350718064619,4.046149279100528,1.6818490173847314,3.804814342403628,11.368503401360545,1.6818490173847314,3.804814342403628,11.368503401360545,5.16666,0.4697,0.0,0.0303,0.51975,0.83939,0.43333,0.51975,0.83939,0.08642,0.0,-0.08642,0.0,0.55957,0.15472,0.0,0.25806,0.29032,0.0,7.75,0.70455,6.25,0.56818,1.5,0.13636,-4.75,-0.43182,0.0,0.0,10.31987,0.93817,13.42995,3.11008,0.28273,4.22216,0.38383,5.23636,1.0142,0.0922,0.17764,0.01615,0.26364,0.02397,0.18518518518518517,11.02,2,2,2,2,0,0,0.8888888888888888,1.2538013905715866,2.1343361131944514,3.53194120554666,4.032303242743954,3.926571651178274,4.106377316818027,33.852637545432835,57.627075056250185,95.36241254975982,108.87218755408675,106.0174345818134,110.87218755408674,0.2636868674602939,0.44887205264547914,0.74280226481481,0.8480333637566103,0.8257969614195263,0.8636118761904734,3.5010861115918823,2.6205513889690177,1.2229462966168092,0.7225842594195155,0.8283158509851951,0.648510185345442,0.2608089918259967,0.4439730678925888,0.7346953288888743,0.838777936749068,0.8167842222678362,0.8541864254658463,11.239513793477522,22.101850066433375,26.260424993465392,25.950467196800528,26.658143434962245,26.839356085689413,40.1370139249467,23.879257435933145,19.022446306232226,18.242496305270684,17.65792075468944,17.018101859864696,9.090909090909092,4.13265306122449,2.5,4,3,4,2.23,1.3425000000000002,0.16666666666666669,2.809664852122232,2.0041451295984074,0.0,2.701599969404812,5.321727114541924,0.0,1.8898815748423097,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.558,0.6040000000000001,1.215,0.37,5.55,14.0,16.0,19.0,16.0,10.0,7.0,4.0,1.0,0.0,109.0,2.5649493574615367,2.833213344056216,2.9444389791664403,3.1780538303479458,3.091042453358316,2.5649493574615367,2.302585092994046,1.791759469228055,0.6931471805599453,0.0,4.859812404361672,1.1743119266055047,0.42857142857142855,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.2727272727272727,5.0,0.45454545454545453,0,4.0,7.0,0.75,2.5,1.1111111111111116,1.0416666666666667,0.28500000000000003,0.19111111111111112,0.09637188208616777,0.0,0.0,0.0,0.0,0.22727272727272727,0.0793650793650794,0.09469696969696971,0.035625000000000004,0.03185185185185185,0.024092970521541943,0.0,0.0,0.0,0.0,0.4929045987081702,31.27680381484101,46.822298371037625,62.55360762968202,5.686691602698366,31.27680381484112,0.2252156203054681,0.0204741473004971,-1.6397667255169366,58.42697500949845,5.311543182681677,4.474555452442239,26.3,166.80785633312232,4.459431618637298,3.9318256327243257,4.709530201312334,5.541263545158426,6.35088571671474,7.190676034332207,8.012680929706839,8.85352256068954,9.681530796701484,10.521830364668592,86.79374578200849,3.1354942159291497,0.0,4.3694478524670215,2.3978952727983707,5.777652323222656,4.727387818712341,7.271703706887368,6.762729506931879,8.816260208734581,9.169518377455928,156.115029752,5.782038138962963,21.343490140830177,1.9403172855300161,5.500361177483917,5.500361177483917,0.0,165.0,11.0,2.472,50.0,1.3047623058776323,2.2135859472047787,2.935107459122965,3.594787716853677,4.609488751433849,5.530300105852454,6.503253822812253,7.440186648220175,0.0,0.0,110.03960238001184,132.80100774592256,112.25762033448987,117.62785357751766,136.06132687703047,148.2064147586357,99.88779113147908,27.758193447017643,0.0,0.0,326.30141492003025,399.52872382568097,404.81529886403257,451.66505308545027,546.3710812393483,640.7637465673114,568.849623947563,299.34586236803534,0.0,0.0,10.026802224732009,16.91597957212936,22.114953520247575,26.862740837840914,34.65566816257001,40.923060848909515,47.253540952043544,53.666112791194195,0.0,0.0,2.262283947147254,2.9284654613087318,3.1538215619039254,3.6352207862580426,4.433704049077351,5.357414853407578,5.328757276033114,3.428511566146524,0.0,0.0,187.77539592670595,342.50368876288786,478.0144219945892,590.4370176775617,767.8884729198887,916.8791691781306,1091.90118828584,1376.1782376962956,0.0,0.0,3.5197418802814906,6.226779613485884,6.8032738053334185,8.509372962023502,11.560117573909892,12.474262276128501,15.621771153112322,15.460271572381203,0.0,0.0,0.5057656171547197,0.6790175642646396,0.7414114835274104,0.8558222347439821,1.053100515811292,1.2436066159799544,1.2606502602219682,0.8987512288167605,0.0,0.0,336.19125463860445,283.5039863964712,21.650702633570333,98.77982153480833,-83.29923159587874,-23.018960388576552,237.41143310379613,366.8032179923499,44.669663022146885,0.7729048505849913,0.651776639703383,0.04977503981193156,0.22709514941500877,-0.19150521990724112,-0.05292066909616637,146.23347183024362,123.31603406232566,9.41742942443463,42.966365277213235,-36.23275641167772,-10.012581972612303,0.3107835933374134,0.3699556385782363,16.126646095163625,7.059064094572501,304.3652193617192,130.60585681169363,0.6997366860328339,0.30026331396716627,725.364046063351,26.932583352945386,8.985012281374107,880.3566233719531,29.670804225230448,9.584134033469798,1338.6917170954243,36.588136288904145,11.02114861687205,1.5863986382047128,1.5863986382047128,1123.816205704232,939.6591080190682,305.95584719266515,1.195982879443794,3.6731319764467436,3.0712245464207464,5.255551178815474,5.276388442954347,8.581402220782724,0.6263780260988214,4.462441666993376,7.802433868855527,11.162703599939865,13.65537419601538,17.40611640598492,8.711652945060045,10.435590649910413,15.48336793920318,6.733003789383341,8.60599655311547,3.933231350830857,5.819870190717178,2.622721278947348,4.099810502239676,0.4294902519753223,1.315600976074878,2.4553533391024597E-8,2.2557002174915896E-37,3.9969128013127E-88,1.3659785213930982E-160,9.004072275068224E-255,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3745318713746203,7.074969781564651,1.7747977778726023,6.6873057561062526,3.5086009387409494,4.455445505561326,4.288392928925092,1.8732890940722557,1.236757656796514,3.0292117127816724,0.2404008290776131,2.1815831227333073,0.12222858905782637,0.2213244703217678,0.03805806068375549,0.09317086977090291,2.74478942515541E-9,2.5216012900314367E-38,4.468067342362105E-89,1.5269995431974611E-161,1.0065468845676955E-255,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2089614013309151,6.206624514605335,3.3123529256570703,6.28313806311527,4.370606897974927,3.268339123095812,4.085910696504163,3.73921679287812,1.7227832225170645,3.301179461242163,0.6683709271948683,2.6447496919732245,0.37850547147998165,0.7174779355967085,0.049484835817316,0.1928866386312924,4.754767519935882E-9,4.36814124005461E-38,7.739982248053891E-89,2.645203944237443E-161,1.7436297220778404E-255,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.212182764460055,8.175938355217056,10.813996821089242,13.440367245655358,17.253113104196796,10.057753870099914,10.877568669235862,15.26664307633546,6.230656217336011,9.001383615549216,3.8735645203101523,5.4984084780939755,2.5340467477407933,3.9345387530152847,0.39905645912908744,1.4646010495100357,3.0840149298342575E-8,2.8332432047752946E-37,5.0202708438763615E-88,1.715719728000793E-160,1.1309449008703565E-254,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7817711180650666,5.952525310642603,4.412660271152678,6.574162013998138,5.424984214041555,3.155810288983708,4.350380287622067,5.052853830266778,2.247354696247811,3.6353572464374837,0.9875521725343489,3.045647435904585,0.591614983875916,1.101121619093814,0.07705437911399736,0.23563093819722464,4.7081084240687445E-9,4.325276138720426E-38,7.664028860753742E-89,2.6192462361671092E-161,1.726519271518044E-255,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.3890377676587,8.697143112512398,13.910832686952924,17.338567707617564,23.120255369071554,11.527290295824463,13.089898767500141,20.371307886843766,8.995060566592972,10.831809512773123,5.400099873302331,7.122932092661566,3.659833684280164,5.529699030581573,0.620100020311878,1.9203648206768884,3.5860652331200484E-8,3.2944700860582945E-37,5.837526440083009E-88,1.995023692435531E-160,1.315052706600615E-254,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.932325267207943,10.84711104281929,7.4442011013788765,10.541255337726612,14.010502748083367,19.557710893599833,11.87378857158162,13.335653376445718,4.1800072878982695,10.90912982692193,3.754431336385561,4.408988065067262,2.2664713275146426,3.455864729060669,0.33312324306378643,2.413644224945365,6.776456467199293E-8,6.2254398106325475E-37,1.1030960532773774E-87,3.769923415180627E-160,2.485007075158093E-254,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.477762501742846,1.5687335880298654,0.7894688290064648,0.7331131983079272,0.17753958989762603,0.5534703740534753,0.31702215383693466,0.44908131543820723,8.835964918779176,16.51434145736233,33.37279673162111,0.5996697974618908,1.3195738433286173,6.0281764246664595,1.7099719376133808,0.40017442119853164,0.7407148358509783,0.21011355571749976,0.5533832868373845,0.3218750896810113,0.09360766070068806,8.138322783478372,13.40462156318591,25.667947291027584,0.6110722537764676,0.9688660372190838,5.939167633583073,1.5444026590791493,0.5403411428830531,0.7401835976495258,0.19247503807651353,0.47525820315839923,0.34755475976804107,0.18869356357298517,8.023911435545276,13.216147210805287,26.19631956239624,0.6102753964742886,1.0115065264994254,6.438977616999486,1.6955531041806682,0.781286711702269,0.7221971137780251,0.19017360067595143,0.5489230283214153,0.3878862631739689,0.41588709018933834,8.915817432882422,17.273029244645247,34.71864473713955,0.5832956706670376,1.3526963816847224,6.066727063320039,1.407669193104462,0.6062059048650729,0.7507766057810544,0.17420350179445213,0.4871142121132546,0.26850747275433967,0.2579608922846463,8.080602161289574,13.07096793595465,26.328535056169226,0.6261649086715817,1.0135825771522406,6.552884187569985,1.606929072644056,0.8234004088112878,0.7294587915864377,0.17888131484446884,0.5662593455877195,0.3304015605920367,0.4888823589490079,8.983213669025329,17.248813684959742,34.902450217906555,0.5941881873796565,1.385543265128764,6.522124170127864,1.7276714688843675,0.7756980555086639,0.7226335080248573,0.19142127038803258,0.5635610892920492,0.40671359714834887,0.4134340348776974,9.025493694520895,17.667438280776686,35.43356580615963,0.5839502620372858,1.3837087213180954 +UMLCN0203,L,butyl levulinate,CCCCOC(=O)CCC(=O)C,Ketones,Esters,C9H16O3,NREL (2014),IQT,PubChem,,14.4,0,-0.7884999999999993,0.6217322499999989,42.5946,28.914687999999977,0,0,28,12,16,0,9,0,3,0,0,0.0,0.0,0.0,0.0,0.0,2082.5381159999984,1972.2182109999994,2416.3734719999998,2119.9683739999978,1909.1167809999977,1919.7685809999978,1255.9210539999988,907.4332319999996,674.4882950000002,4958.164357531918,6011.32218247689,7530.76694072305,7387.621683173002,6360.977196454271,5434.021743992453,4695.8816244168775,4067.8041778268866,3187.9698741665256,215.41521600000013,206.80126,372.43283999999994,455.3398399999997,396.42069999999984,334.347628,272.27610400000015,247.64109600000023,236.9642600000002,34.143518477583996,42.69636896000001,56.75864536533904,56.79756633328204,48.130495297584034,40.72375043758404,36.14540315679202,33.75349212879201,28.46301416958398,4656.185494605485,3950.8945696964006,7792.3379351861395,9828.684156877132,8534.380029190885,7213.3069173464355,5765.272631220892,5388.949759766143,5573.453598930085,151.05555555555554,79.5,141.91666666666669,169.52777777777777,155.33333333333334,176.16666666666669,109.08333333333334,88.33333333333333,67.16666666666667,74.37636128571422,73.0451189259259,49.31374432653061,35.93166735593216,37.43366237254897,44.64578095348832,35.88345868571425,27.497976727272714,20.43903924242425,177.07729848328276,222.64156231395887,153.6891212392459,125.21392683344071,124.7250430677308,126.3725986974989,134.16804641191078,123.26679326748142,96.60514770201593,7.693400571428576,7.659305925925927,7.600670204081632,7.717624406779656,7.772954901960781,7.775526232558139,7.7793172571428615,7.504275636363643,7.180735151515157,1.2194113741994284,1.581346998518519,1.1583397013334498,0.9626706158183397,0.9437352019134124,0.9470639636647451,1.032725804479772,1.0228330948118791,0.8625155808964842,166.29233909305302,146.3294285072741,159.02730479971714,166.5878670657141,167.34078488609578,167.75132365921942,164.72207517773978,163.3015078717013,168.89253330091165,5.39484126984127,2.9444444444444446,2.896258503401361,2.873352165725047,3.0457516339869284,4.096899224806202,3.116666666666667,2.6767676767676765,2.0353535353535355,0.37805625073133636,-0.19222707984262155,0.0984141335550033,-0.036249606251570934,-0.21171671192918443,0.20977229802132272,-0.032937810876370155,-0.03665952069554028,0.010415680443395992,1023.2128954285708,-10.971024591837505,57.92571428571394,-223.5354369387759,-139.57556838775528,282.62481087755106,-332.5931608571431,-363.11681632653074,86.62803181632702,1334.068936976866,-138.70329815279496,-277.1655769206304,-97.85280304727432,-16.959981569776346,200.77455434892676,-179.4045098694176,-396.9236379872125,59.22540018076765,2.8504337142857135,-0.00851765306122395,0.802658142857143,-1.1452696122448949,-1.0579979795918337,1.3032545102040833,-0.9573144285714263,-0.5042651632653066,0.14312312244897513,5.933751064107424,-1.0222185824812924,-1.970978381506704,-0.1511019072540838,0.00792981627803771,0.6917549071658743,0.04043366697314324,-1.1464664939894682,0.011940191721955068,33.476659881346684,-6.269712858601552,-11.618084949732719,-0.8519796842636075,-0.31307128876132295,4.003507777391302,1.2781591816008135,-5.325023284744718,-0.3221586001492882,67.62301587301583,-0.5829081632653053,13.171626984126975,-25.798894557823104,-20.10104875283446,36.447987528344676,-17.07242063492063,-15.29974489795918,-0.2164115646258491,0.013502008954690585,-0.00711952147565265,0.002008451705204149,-6.144001059588294E-4,-0.004151308077042832,0.004878425535379598,-9.41080310753433E-4,-0.0011108945665315236,3.1562668010290883E-4,36.54331769387753,-0.4063342441421298,1.1821574344023253,-3.788736219301286,-2.7367758507402997,6.5726700204081645,-9.502661738775517,-11.00353988868275,2.625091873222031,47.645319177745215,-5.137159190844257,-5.6564403453189875,-1.6585220855470224,-0.33254865823090873,4.66917568253318,-5.125843139126218,-12.02798902991553,1.7947090963868986,0.10180120408163262,-3.154686318971833E-4,0.016380778425655978,-0.019411349360082965,-0.020745058423369288,0.030308244423350776,-0.027351840816326467,-0.015280762523191108,0.00433706431663561,0.21191968086097943,-0.03785994749930713,-0.04022404860217763,-0.0025610492754929454,1.5548659368701392E-4,0.016087323422462194,0.0011552476278040927,-0.03474140890877176,3.61823991574396E-4,1.1955949957623815,-0.23221158735561304,-0.2371037744843412,-0.014440333631586567,-0.006138652720810254,0.09310483203235587,0.036518833760023246,-0.16136434196196117,-0.009762381822705703,2.4151077097505653,-0.021589191232048343,0.268808713961775,-0.43726939928513736,-0.39413821083989137,0.8476276169382483,-0.48778344671201795,-0.4636286332714903,-0.006557926200783306,-0.5272934938455462,0.14875206437382896,-0.04550434739160704,-0.30745854864810107,0.3613110872426757,-0.06969928059679613,-0.08227624276205207,0.023376275424055355,-0.01111924887460908,0.032349482997280896,-0.10367794875767536,-0.07489128036119225,0.17985969625055007,-0.2600382871193874,-0.3011094936934608,0.07183507242589085,-0.10782085794576411,-0.11871974924162267,-0.03480975915723755,-0.006979671119219615,0.09799862322496768,-0.10758335189242393,-0.252448493104727,0.03766810942522123,-0.003098869357617956,0.16090947620344956,-0.19067897610049228,-0.20378008895390062,0.2977199012208846,-0.268678951914886,-0.15010394681518432,0.0426032713047067,-0.17865234293243146,-0.18980798970042262,-0.012084999680482763,7.337053031380037E-4,0.0759123614999004,0.005451346581452914,-0.16393668000832037,0.0017073637998339319,-0.19422261566722376,-0.19831445876297762,-0.012077947534715604,-0.005134391447411411,0.0778732199133928,0.030544485289298737,-0.13496572211651472,-0.00816529163914795,-0.00893922500635721,0.11130299194379942,-0.18105585830385137,-0.16319694945638608,0.3509688671507707,-0.20197171527492525,-0.19197016820395738,-0.0027153762850024668,1.4180422012683478,0.8115290276506444,1.2601673231267712,1.5518062032369206,0.9506321489077453,1.2430284983653788,0.744890321289011,0.4082328371655964,0.977642448086047,0.9247906621478756,1.11204667145468,1.103068097542334,0.8423190312700974,1.2829991663871407,1.2300602063767132,0.7668984183913631,1.4016641905142377,1.1858709075625389,0.9592369553288502,0.9144688226295412,0.8112568884872216,1.059107388288618,1.2430702962934672,0.8901628517140064,0.6450442930088433,0.6714845800909701,1.364879856642079,1.4654317267808272,0.9274999787058111,1.4857873057513657,0.9821194401420693,0.482904119088808,1.610826301192294,1.2981125980069652,0.9292015641632282,0.8945559603461867,0.8166726974299572,0.9579305549333703,1.1684204580371418,0.8870955802726636,1.6385527058855835,1.3085703013251324,0.9373365957045303,0.9114553575417923,0.8229322712003159,0.946994367643889,1.136862077553021,0.8696212905636199,0.5409893785575968,0.520253673912497,1.3042144618313367,1.3359095882939769,0.7654009550154692,1.4758816970835054,1.3198169121530434,0.659404324330092,76.60263083139073,38.676315415695385,60.19853767648601,77.22763083139077,6.435635902615898,38.676315415695385,0.7500000000000426,0.06726303561971642,0.005605252968309701,-3.2389733292875897,357.1852728930219,29.765439407751824,7.053905542619452,76.62335130998669,38.68557402364138,60.21396360414855,77.24651525773342,6.437209604811118,38.68557402364138,0.7477967372960705,0.0673873919573435,0.005615615996445292,-3.2367568098117085,364.67231324301287,30.38935943691774,7.078799014088345,95.02152833463367,46.91227245022976,74.25062005825791,94.02404213948854,7.835336844957379,46.91227245022976,-1.1969834341741503,0.14717310099233027,0.012264425082694189,-2.2993749926517544,64.76833364389438,5.397361136991198,5.0049801666973135,76.64509792468306,38.69529116266994,60.230154642423805,77.26633492523041,6.4388612437692005,38.69529116266994,0.7454844006568138,0.06751779929070251,0.005626483274225209,-3.2344368272028006,372.9516812846041,31.079306773717008,7.1057386445528845,114.58342015368127,55.66826868033189,89.63314522928337,111.87768449283337,9.323140374402781,55.66826868033189,-3.246882793017491,0.19201789394976104,0.016001491162480088,-1.9802000563703783,54.24915969583359,4.520763307986132,4.792305003387462,78.77302840999133,39.646215483813116,61.82011852174364,79.20586387468711,6.600488656223924,39.646215483813116,0.5194025576349048,0.07976223160730711,0.006646852633942259,-3.0344462096298437,247.4843690098208,20.623697417485065,6.613616909398172,75.77456609932013,38.212514687532405,59.69324207399991,76.71433360994195,6.392861134161829,38.212514687532405,1.9384479717813434,0.04778722269301827,0.003982268557751523,-3.649196379474281,83.61511134619971,6.967925945516643,5.31146911378273,0,11.890000000000002,15.996921431001999,-0.3159059506674458,0.2615905996855203,4.081264626615907,7.136350188631106,11.0,27.0,25.0,25.0,9.0,2.0,2.0,0.0,0.0,2.0,21.323311999999994,3.6017873483320955,3.3997707088350553,3.2067143799825137,2.732369405883539,2.4202010252204618,2.0398716798785563,1.9363556436860425,1.4352066326756068,1.8298494140804873,1.7760271634917864,1.467400754992693,1.368674894835373,0.9747540897774195,0.8611097169184194,0.5864032650710775,0.3992100143264225,3.5180494014219446,3.376304303267235,3.0958644716366877,2.737456994549598,2.379684491456449,1.9764015376056445,1.8333668166570658,1.4202365247060973,1.8152590361243819,1.7377284915042681,1.4690950159367082,1.2877224433526293,0.9684950006350669,0.7597860201190342,0.5089124231371033,0.416034186633126,3.6830822269361234,3.5350575963620754,3.313279749266874,2.9711976486382343,2.6691761862789463,2.333502436512372,2.2257048586149293,1.8767698799347217,1.6172793481231533,1.5332895108622495,1.2060436088544895,0.9845107115121431,0.6154886581364941,0.3391212140706142,0.06861818856449384,0.09785386076616413,3.5066389142596393,3.3907428692270782,3.067970783584013,2.762964256300238,2.3840064552761047,2.0104982967941267,1.8044844915637,1.463740262088305,1.8173405724843554,1.70882053335144,1.4789451497397716,1.2366111489849965,0.9504839850665046,0.6955357695403355,0.523470971635195,0.3327438325430674,3.70231166627759,3.588373362228761,3.3314113784892756,3.0608209661523547,2.7470191313398025,2.4515025082642055,2.2782145836344414,2.0322211050900227,1.588518558586494,1.4770385593910356,1.178560456332688,0.8953378689065508,0.5429332931213742,0.2101015183909941,0.011133170847793694,0.2727026187495745,4.9637001337400015,4.932854186027176,3.494296488393462,3.150935348693849,3.025479852599385,2.7842267803002643,2.4245694012863006,1.9313136778200548,1.6658045764659581,1.5858065611175003,1.1407970771186886,1.0704325010582894,0.6023537907254186,0.5075794910443531,0.17995963936393886,0.21346234342369477,0,0,1,1,0,3,4,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696923425058676,0.0,0.0,0.0,0.20326313239628543,0.0,0.0,0.0,0.696923425058676,0.5731929314592374,0.8076775358252054,0.1853954059492991,0.13078993474019518,0.12740323065938353,9.397341225498538,5.663902460147015,4.572150750610878,2.537293031334987,1.5049879773219088,1.145168206888927,0.544160655327621,0.23168658051312782,0.7831117687915449,0.5149002236497286,0.3810125625509065,0.25372930313349873,0.16722088636910099,0.12724091187654746,0.0906934425546035,0.057921645128281955,7.760278777324327,4.315261132663703,2.7760386741733702,1.442126886069388,0.6806036938341314,0.3835067699210925,0.19290951193483677,0.09005877255718553,0.6466898981103606,0.39229646660579115,0.23133655618111418,0.1442126886069388,0.07562263264823682,0.04261186332456583,0.032151585322472795,0.022514693139296382,15.479019743537558,28.094683175528036,26.85098039215687,27.27999999999999,16.829154491017963,215.43229820359284,0.5528221336977699,1.0033815419831442,0.9589635854341739,0.974285714285714,0.6010412318220701,7.694010650128315,1.6988999999999996,45.78200000000002,43.69933467845773,67.4867346623506,87.39866935691549,7.2832224464096225,43.69933467845773,0.06699956693625819,0.005583297244688183,-3.243682947899998,112.32825762234927,9.360688135195772,5.665710547551156,150,0.0,0.0,3.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,26.15993000440917,-0.23510043986730467,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.7925229119425548,1.6620833333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.5027063387083226,0.0,2.905797430083144,0.0,0.0,0.0,0.0,0.0,0.0,-0.23510043986730467,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.318263337742504,4.841666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.841666666666667,-0.2651388888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.28804106827916354,0.4738888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.471550532249937,0.0,0.22127739984882844,0.0,0.0,0.0,0.0,0.0,0.0,-0.2651388888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.47038918808264,4.841666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.847874149659864,0.030038449021584146,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6184027777777779,0.6184027777777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.031155806458386,0.0,1.0138773148148148,0.0,0.0,0.0,0.0,0.0,0.0,0.030038449021584146,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.847874149659864,4.841666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,32.33333333333333,2.694444444444444,0.6184027777777779,10.847874149659864,0.15222222222222215,-0.2651388888888888,2.9469126616433607,1.9318055555555556,3.8478741496598636,17.382171621735115,1.9318055555555556,3.8478741496598636,17.382171621735115,5.49999,0.45833,0.0,0.04167,0.55357,0.89167,0.42632,0.55357,0.89167,0.12726,0.0,-0.12726,0.0,0.51402,0.20027,0.0,0.30303,0.18182,0.0,9.5,0.79167,6.5,0.54167,3.0,0.25,-3.5,-0.29167,0.0,0.0,9.67863,0.80655,15.18593,5.5073,0.45894,3.86395,0.322,5.66389,1.79994,0.15,0.25011,0.02084,0.25011,0.02084,0.0,11.03,3,3,3,3,0,0,0.7777777777777778,1.3329187608024513,2.307354922057604,3.753434386188785,4.110577243331642,4.03914867190307,3.7264741182543752,37.321725302468636,64.60593781761291,105.09616281328597,115.09616281328599,113.09616281328596,104.3412753111225,0.2772665597637935,0.47996350580872643,0.7807691437482364,0.8550600714898469,0.8402018859415247,0.7751610144606093,3.474436161255152,2.4999999999999996,1.0539205358688188,0.6967776787259616,0.7682062501545337,1.0808808038032285,0.27437710483827205,0.4749617020675504,0.7726325792450364,0.846149305123763,0.8314459599480175,0.7670828934884535,12.303102370829112,24.389391318706952,27.7024481549195,28.847541021205217,27.990398164062356,25.8086142299923,44.08878770721438,24.78395503034086,20.418920848689794,18.18299449806076,19.386146607514018,23.026705233642307,12.0,7.638888888888889,9.0,12,3,5,2.12,1.466800000000001,0.1111111111111111,2.68788629641073,1.1246826503806984,0.0,3.838519496373775,3.711512668113607,0.0,0.33333333333333337,0.0,0.0,0.19999999999999996,0.6324555320336759,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.758,0.7450000000000001,1.029,0.219,5.4750000000000005,12.0,10.0,9.0,9.0,6.0,4.0,3.0,2.0,0.0,78.0,2.6390573296152584,2.833213344056216,2.6390573296152584,2.5649493574615367,2.772588722239781,2.1972245773362196,1.791759469228055,1.6094379124341003,1.3862943611198906,0.0,4.624972813284271,1.294871794871795,0.4444444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.6363636363636364,9.0,0.8181818181818182,0,5.0,9.0,0.8,2.5,0.8888888888888893,0.375,0.40000000000000013,0.16666666666666669,0.08163265306122448,0.0625,0.049382716049382706,0.0,0.0,0.22727272727272727,0.07407407407407411,0.0375,0.04444444444444446,0.01851851851851852,0.013605442176870748,0.015625,0.016460905349794237,0.0,0.0,0.4475011118364293,43.69933467845773,67.4867346623506,87.39866935691549,7.2832224464096225,43.69933467845773,0.06699956693625819,0.005583297244688183,-3.243682947899998,112.32825762234927,9.360688135195772,5.665710547551156,43.370000000000005,185.3180830336834,4.584962500721156,3.8501476017100584,4.51085950651685,5.241747015059643,5.932245187448011,6.665683717782408,7.369600720526409,8.10258642539079,8.813884558025606,9.54574060563606,83.03249533809583,3.1354942159291497,0.0,4.2626798770413155,0.0,5.5254529391317835,0.0,6.849066282633458,0.0,8.208764045819667,8.51097389160232,172.109944372,6.146783727571429,22.483937956548626,1.873661496379052,7.806681991415846,7.806681991415846,0.0,252.0,10.0,1.226,46.0,1.2438148148148147,2.1396379256266895,2.8975485257588045,3.673074639397465,4.909938716554318,5.903136476607985,7.108990747635887,8.091773571825867,9.388249868666378,10.568739935267491,101.42004634396292,116.05285951371548,116.11680864322173,163.4859588637869,240.1495274591392,236.83334739642612,213.03807724088813,183.0141594932132,198.83228079686828,90.65749141164335,300.0529243224171,351.25921189094106,390.4430352101183,517.3798832821708,669.9811766599311,861.8004423449037,930.3375678653703,837.9396111818756,894.0568879191778,807.2462664168945,9.57623096162963,16.37956774904626,22.433251456148472,28.6255033201884,38.37538681546787,46.06206428668051,53.28730729500699,58.14125137518669,68.10811115960826,78.22840576276543,2.0870727115733327,2.5958434157637904,2.940089975547407,3.813254888410142,4.922663095976507,6.526354219137928,7.631506150839094,7.3568858054155,7.887476490146273,7.903195894952479,180.14347401106565,336.95425642445497,479.36027438928386,603.0657942089185,816.3892905222048,959.6751517664851,1149.9046530424193,1353.602160516317,1591.5775718441334,1811.0039070370365,3.7343487654320984,6.504381513972794,8.44945239124706,11.239076773619006,20.477897898901087,18.547695952404645,18.866205920399338,16.565861169854244,22.594401660369794,26.8998652523102,0.4711847222222223,0.6167959414294539,0.7244132166211154,0.9515459838417614,1.2356190954074864,1.568334581814599,1.756228180208188,1.6747477422909651,1.853417517465758,1.906349178386805,454.60809192852787,470.8077685239096,16.81689690611486,240.15338899191056,-248.71110563626254,-30.641192090677208,214.4547029366173,719.5188741601721,47.45808899679207,0.6543369262876391,0.6776538156665953,0.024205281046720362,0.34566307371236094,-0.3579805623460349,-0.04410318207348361,315.8441911866788,327.0991024885184,11.6837321989787,166.8493241840819,-172.79489607320934,-21.288319994086525,0.2525339895754482,0.3049395687775477,1.906044820752758,2.81372379702682,608.6121381250766,86.14934279536186,0.876001555697606,0.12399844430239415,906.1170506219848,30.10177819700997,9.67671835484792,1061.1096279305873,32.57467771031031,10.199684816387263,1610.1277255010568,40.12639686666443,11.720697106776722,2.726079645583005,2.726079645583005,2085.4131766591067,1969.3586532532474,139.44238583155516,1.058930110680523,14.955375040543716,14.123099239224224,5.506414142168696,6.647301182465753,12.223121146421313,0.8388095876659619,4.488849948645488,7.2256517411453345,3.9804474525371476,22.784090153611203,5.191052198986069,1.7517542612573913,8.725854639302785,13.368766595684642,8.145764554051427,2.0951657909218877,7.642402673088488,5.956342740454737,3.6489142911815793,1.8309561545828448,3.4971603027870253,9.19403688737854,5.872035638086769,1.762959112750158,0.20218274426258623,2.340107639030976,1.582562865212708,4.540453317451003,0.9761225825829092,9.368673541077672E-4,1.2291025694006827E-26,3.110327765565625E-71,1.5180989954383929E-137,1.4291240681546922E-225,0.0,0.0,0.4097193558812692,7.376598459286828,0.3525441446351199,8.261059962888426,0.1860819907618764,1.6913731276416333,2.216700540609989,0.6921356660614301,2.883268231661482,0.2502057036205165,4.487614247490163,0.3103916709363427,1.373064068221206,0.03509919478515196,0.058568921878573134,3.7023067679329116,0.30598590853818264,1.6803338422621044,0.01855989211286406,0.02722874608379345,0.8995153128709443,0.25189336237361776,0.006874915952045883,6.598433378207423E-6,8.656669894211156E-29,2.1906292769715564E-73,1.069209535266995E-139,1.006543766475054E-227,0.0,0.0,1.2278286648284584,7.095399422922284,0.857118455399665,8.202051645728398,0.5413709582719992,1.5223714851188843,2.4780816996140627,1.9887918931006574,2.3015967095544805,0.42575997849495467,4.753936734959628,0.7661870453394994,1.4193480904943585,0.18738237021929224,0.3438653727104194,4.017953901702687,1.0578425678434078,1.2143400451913904,0.053168185585017555,0.19931015029977248,1.034839526441462,0.8982466679845069,0.07164188719953325,6.876076321979697E-5,9.020917462525098E-28,2.282804605009398E-72,1.1141987722366893E-138,1.0488962095993167E-226,0.0,0.0,4.247334125402858,7.376271856879821,4.24040093500805,23.225100709692185,4.959623327547032,1.8334917009081517,9.538634339884227,12.610447801422572,8.528981772785881,2.586618451964848,8.18521284659653,6.173649278186295,4.144692561052066,1.645206608940381,3.139275272293995,9.039087626384443,5.518416582604165,2.008705736981533,0.19989920423115315,2.092496341447111,1.539296614114895,4.196886387212548,0.8697076507151877,8.347319455788285E-4,1.0951082611357086E-26,2.7712460422009705E-71,1.3525988737758805E-137,1.2733238154299848E-225,0.0,0.0,1.7944363741194067,6.988558561139542,1.1332361495867396,8.844158775829479,0.9097797570649406,1.4677354294222773,2.7354253968091107,3.1462644350361373,2.5395767355785033,0.43723194729124404,4.876857995186817,1.0814402029418215,1.4321343454123867,0.3555469923919269,0.6634076338840662,4.4976980140825855,1.6568671123824261,1.059544330151273,0.07524991681102132,0.40649205512113484,1.1289528366299637,1.4099526503814963,0.15561574047415294,1.4935756598230524E-4,1.959463816338367E-27,4.958556645561447E-72,2.4201886199225953E-138,2.2783427277129978E-226,0.0,0.0,5.420982442091265,7.321204320984716,5.343437609679325,29.862273293176056,7.518187814062753,1.8822982938850092,11.600890455949546,18.55156604403485,11.104198591228801,3.018424425112542,8.980550471566637,8.63314276443445,4.799753470934015,2.6047781630539193,4.989582920892882,11.211905242291142,7.823091837696072,2.060309802589432,0.25128947867921786,3.3778930371647875,1.7444053312805428,5.90452409792991,1.4235830335379869,0.0013663329876986714,1.7925305844782083E-26,4.536120732581923E-71,2.2140047115155364E-137,2.084243142075871E-225,0.0,0.0,2.8857135135787084,7.344631503716278,3.416903595507769,25.27862026841617,3.968243431126983,1.770734283876548,10.595656514389152,8.562710203061851,20.369149997771412,2.663353478501395,10.48089890014854,7.392252303976381,6.962273571593225,0.762402171241217,1.3686836292341535,9.249141821286155,3.4926572898721293,5.156021672109214,0.2004760042182127,0.8900363474115532,1.7721956011869546,2.7245494256014333,0.3593452382895884,3.448939786110654E-4,4.5247608791470665E-27,1.1450215584382481E-71,5.588658844462005E-138,5.2611106965523075E-226,0.0,0.0,14.920977208461867,0.8380443445615313,0.41439772500000005,0.9225617015158099,0.051816151560497424,0.5837389824429217,0.4990229557879064,0.49998416990128364,16.1734192780234,19.034943244681838,40.39017424519046,0.8838425522737149,1.5827461081321117,11.607768493840577,0.7426173416873061,0.06791133285953173,0.9347310936792399,0.05980025535044745,0.35655833169941625,0.3568537510709226,0.013427836287435043,12.418297168387417,9.458861345237734,22.46256304369506,0.90209664051886,0.7268399190577739,13.415675778461681,0.6637006495346434,0.20307816523982142,0.9393116351873472,0.04646964884096024,0.47265623911833826,0.31295541489315953,0.12007372706582235,14.282454593236146,11.763206660829486,27.853867760599165,0.9089674527810209,0.9056853810773201,14.51801711358726,0.8751634395666715,0.3898393903873077,0.9198503940006965,0.05544968217092114,0.5528556640461271,0.5460105474794646,0.44247930949833375,15.783019943541241,18.706505915778116,39.44268395095223,0.8797755910010446,1.5413455210239255,14.234910914917718,0.648489380939365,0.2752882388477645,0.9390595289511886,0.042780045216622146,0.5314710410509197,0.2997261258373612,0.22064639900077876,15.158688534704847,13.328413622454793,31.02833980022472,0.9085892934267829,1.0518435658890597,15.020800907219042,0.8757989760973235,0.4385683565925614,0.919537569899114,0.053614322377019255,0.5915594956668337,0.544748770292913,0.5600104305688474,16.335168239908928,20.126947740939748,42.23157132662338,0.879306354848671,1.6963186965285941,14.637848048803516,0.8918024987711632,0.3917085506681959,0.9193843288428178,0.05601296304343673,0.5620583625172881,0.5670746009609428,0.44673258677993416,15.921359098242874,19.137166374929603,40.17191610423891,0.8790764932642268,1.5758655502581649 +UMLCN0204,L,3-octanone,CCCCCC(=O)CC,Ketones,,C8H16O,NREL (2014),IQT,PubChem,,36,0,-0.9556000000000006,0.9131713600000011,34.9766,25.550687999999976,0,0,25,9,16,0,8,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1426.3379929999983,1395.7262439999995,1575.8736959999983,1460.8980229999972,1110.2863449999977,871.2450240000002,674.4882950000001,323.8766170000001,84.835296,4101.865901853882,5103.133676249427,6471.633629021332,6321.313461893888,5261.104989367586,4194.76821912165,3187.9698741665256,2127.7614016402194,1061.4246313942745,181.17126800000005,176.69960800000007,324.27239999999995,413.4860599999998,350.8367799999999,299.8491600000001,236.9642600000002,174.31498000000008,123.32735999999997,30.068210477583975,38.67834896000001,53.25497401333905,53.93093648037607,45.44269841728206,37.48454302898003,28.46301416958398,19.97477610648999,12.016620718188005,4158.488566910484,3490.864584451401,7082.73320617214,9488.115242330377,7977.410826950233,7052.408753968682,5573.453598930085,4062.7491835499404,3137.747110568388,87.02777777777777,56.41666666666667,89.25,124.33333333333331,106.58333333333333,79.41666666666666,69.5,52.0,24.0,57.05351971999993,58.15526016666664,35.01941546666663,25.629789877192934,23.130965520833286,20.743929142857148,20.439039242424247,13.494859041666672,4.713072,164.07463607415528,212.6305698437261,143.8140806449185,110.90023617357699,109.60635394515805,99.8754337886107,96.60514770201593,88.65672506834248,58.96803507745969,7.246850720000002,7.3624836666666695,7.206053333333332,7.254141403508768,7.309099583333332,7.139265714285717,7.180735151515157,7.26312416666667,6.851519999999998,1.202728419103359,1.6115978733333336,1.18344386696309,0.9461567803574749,0.9467228836933762,0.8924891197376197,0.8625155808964842,0.8322823377704163,0.6675900398993336,166.33954267641937,145.45269101880837,157.39407124826977,166.45816214614698,166.19605889479652,167.91449414211147,168.89253330091165,169.28121598124753,174.319283920466,3.481111111111111,2.3506944444444446,1.9833333333333334,2.181286549707602,2.220486111111111,1.8908730158730156,2.106060606060606,2.1666666666666665,1.3333333333333333,0.13512587172554585,-0.04603350948238371,-0.010007141784539491,0.004396202159079993,-0.021561009676913878,0.004048622813044117,0.017704229862601988,-0.020771416064853474,-1.9809823880800382E-4,768.7745440000008,-47.36742975999954,-116.74380499999978,-9.111569280000076,-221.24284151999996,13.164597919999789,11.318260479999832,-200.81301176,33.594427679999725,1217.0821791610597,-96.77620441714222,-369.1454127861124,2.4192329422752366,-212.4130984617509,9.021139293277876,8.775099680999794,-206.0572317230264,15.377006032002491,1.10707456,-0.0038738175999985316,0.088147552,-0.13953991679999905,-0.33192779519999827,-0.02902958080000101,-0.04373841920000027,-0.23612629759999948,0.06677191679999757,5.405687815450234,-0.4580209896853374,-2.0825240445815014,-0.021890934807667517,-0.48558431360614135,-0.03406850407016587,-0.03463987851399991,-0.49833325731247285,-0.046817447776497156,29.769714222906213,-2.5303949541912463,-12.025285389014392,-0.24444307137531784,-1.9553701013536369,-0.3326102722002038,-0.34180297046787733,-2.0527300004461955,-0.4299701712927624,34.70666666666671,-0.4083999999999993,1.147999999999999,-3.0312000000000032,-9.960133333333337,-1.9438666666666673,0.40719999999999945,-6.271733333333334,0.9111999999999986,0.005405034869021834,-0.0019180628950993212,-2.2238092854532203E-4,7.712635366807006E-5,-4.491877016023725E-4,9.639578126295517E-5,5.364918140182421E-4,-8.654756693688947E-4,-1.1005457711555767E-5,30.75098176000003,-1.9736429066666474,-2.594306777777773,-0.1598520926315803,-4.609225864999999,0.3134428076190426,0.3429775903030252,-8.367208823333334,1.866357093333318,48.68328716644239,-4.03234185071426,-8.203231395246942,0.042442683197811165,-4.425272884619811,0.2147890307923304,0.2659121115454483,-8.585717988459434,0.8542781128890273,0.044282982400000004,-1.6140906666660548E-4,0.001958834488888889,-0.002448068715789457,-0.006915162399999964,-6.911804952381193E-4,-0.0013254066424242504,-0.009838595733333311,0.0037095509333331983,0.21622751261800935,-0.019084207903555726,-0.046278312101811145,-3.840514878538161E-4,-0.010116339866794612,-8.111548588134732E-4,-0.0010496932883030277,-0.020763885721353036,-0.0026009693209165085,1.1907885689162485,-0.10543312309130193,-0.2672285642003198,-0.004288474936409085,-0.0407368771115341,-0.007919292195242946,-0.010357665771753859,-0.08553041668525814,-0.023887231738486798,1.3882666666666685,-0.01701666666666664,0.02551111111111109,-0.05317894736842111,-0.20750277777777784,-0.046282539682539696,0.012339393939393923,-0.26132222222222223,0.050622222222222145,-0.3548659613821213,-0.04114329212191872,0.014269353581807299,-0.08310542160917889,0.01783444207093528,0.09925778963852136,-0.16012397520860444,-0.0020361492531032386,-0.06418146002850238,-0.0843650065557377,-0.005198276070636261,-0.14988873854413143,0.010192936604930114,0.011153386678182754,-0.2720956647380004,0.06069260187852019,-0.08282805220050488,-0.1685020028988812,8.718121899350112E-4,-0.09089922111237737,0.004411966473381145,0.005462082102967417,-0.17635863328427026,0.01754766702520213,-0.0036449457086839177,0.044234475248191255,-0.055282381246965356,-0.1561584614499669,-0.015608264343959797,-0.029930383424767937,-0.22217554464744702,0.08376922086740929,-0.08825985034231126,-0.21402601149820874,-0.0017761453350864144,-0.04678562752865906,-0.0037513952271488737,-0.00485457782681629,-0.09602795439836011,-0.012028854651403305,-0.08854059053258961,-0.2244131084022144,-0.0036013739536583556,-0.03421000014184654,-0.006650460377235896,-0.008698156870266649,-0.0718267028403711,-0.020060010955787782,-0.012257491356127508,0.018376232552183337,-0.03830600319469437,-0.14946896209501842,-0.033338364158571575,0.008888345615199222,-0.18823632987578412,0.03646433602253799,1.146324459818626,0.8148281741932614,1.1675679936728827,1.356992913929889,0.8547856228639638,0.9627290899641059,1.3550293590787605,0.21900004067506948,1.2701775203420362,1.1028892833198005,0.9842542916074053,1.1579710712299542,0.8928571428571421,0.9073029651105704,1.2258797769193555,0.6299168459459287,1.4939366264060547,1.2975755074870583,0.9263725078779832,1.0176455889534177,0.892857142857143,0.8673119145338796,1.0277103541807104,0.7398922350318333,0.5437393485042236,0.5457130788613428,1.2706900532326812,1.5667427133363083,0.8928571428571425,1.105204036778943,1.6352521008160452,0.08568889885790519,1.5591182041077658,1.3651733927106962,0.923834177625983,0.9699651125468366,0.892857142857144,0.8655581590870433,0.9359665219766481,0.7447150625106354,1.5624870863910174,1.372828764850332,0.9291787798683073,0.9648997647692914,0.892857142857143,0.8692507933635577,0.9182197682262441,0.7345603182502161,0.5402420284287354,0.5468049686259436,1.26018561578745,1.5787072608528598,0.9055485428900707,1.0748087870638758,1.635132539377639,0.11525163273146354,48.4552187978539,24.352609398926948,38.54372715159722,48.64966324229834,5.405518138033148,24.35260939902768,0.24999999999999645,0.12497121653593651,0.013885690726215169,-1.8717046523172216,36.98008269363722,4.108898077070802,3.2493415159155496,48.457012798486616,24.35313918879266,38.544344126986445,48.6508860266745,5.405654002963833,24.353139188893326,0.2492655790987044,0.1249565054618001,0.013884056162422232,-1.8718106026826495,36.98025525560268,4.10891725062252,3.249345715619694,50.06121005876842,24.831107790355198,39.10693888188703,49.75088102027884,5.527875668919872,24.83110779041211,-0.3989944780580217,0.11124646818142592,0.012360718686825102,-1.9764063946111823,37.1946519264765,4.132739102941834,3.254548486973908,48.458895672652815,24.35369523643587,38.54499169580842,48.65216940615642,5.405796600684047,24.353695236536463,0.2484948002189178,0.12494106428320656,0.01388234047591184,-1.8719218247386786,36.98043650838723,4.108937389820803,3.249350126814403,51.79189443705117,25.35480008635601,39.739578412696716,50.950110009231835,5.661123334359092,25.3548000863884,-1.0822942643391436,0.09490381842525569,0.0105448687139173,-2.1194022040844844,37.60414646666587,4.178238496296207,3.2644028904159685,48.64328460143103,24.408209393654673,38.60855131153361,48.77794452378083,5.419771613753426,24.408209393748493,0.1731341858783182,0.12342223516947581,0.013713581685497312,-1.8829295963852317,36.99890213336295,4.110989125929216,3.249799416119455,53.217682059599454,26.63442276911347,42.84985469127167,53.576257897341975,5.952917544149107,26.634422769124956,0.6454365079365125,0.16345049978725557,0.018161166643028397,-1.6301205792708462,35.678047889618355,3.9642275432909284,3.217082035141115,0,11.889999999999997,15.99491664015226,-0.2992082324032427,0.1324466890516069,4.39032318601074,7.331459200794864,8.0,24.0,23.0,23.0,7.0,1.0,1.0,0.0,0.0,1.0,18.449311999999995,3.573114703840816,3.289309247911549,2.857720417731611,2.548844658883986,2.0522210444773887,1.5700605734594142,1.5062540244521265,1.167578416856073,1.8924192726252889,1.7280313991296203,1.504211083042173,1.1617999246192476,0.8990775112794953,0.7251079108585589,0.5500818340194472,0.1848836849672877,3.5469329456214376,3.2958552749416365,2.9030259582693625,2.5135733446263915,2.06059169147018,1.6471589622182328,1.4789245005656586,1.2723337872940186,1.8495672249311663,1.67542645495094,1.417035206946432,1.091397049670201,0.8010345527165127,0.5861112507063189,0.40716902899699325,0.2794592784209581,3.6817394265457404,3.4545191822660355,3.104590753393522,2.7800860695974228,2.3879593809702384,2.0464093640942678,1.930126157682993,1.7553816526441508,1.6702613475108619,1.458596387662609,1.1424020699390893,0.7615747532226926,0.39794355923781277,0.11396302904987478,0.10828590452816916,0.2337350247474596,3.5536002110371094,3.311287267746612,2.9367608694667187,2.529535097978174,2.0934741555777463,1.7155041633570305,1.4957036486363384,1.3412943084868751,1.8263760486520724,1.641531316355878,1.3602427640587347,1.051722280489792,0.7396572694096966,0.4935821007119883,0.3387045457768087,0.25016315731067335,3.722422743819094,3.5153528581001736,3.1990664003677014,2.8605403554266515,2.5063087715180177,2.2171551395101177,2.050254415194283,1.9405571720400727,1.6263725159236202,1.400191966546473,1.0533890356614082,0.6751683944403037,0.27878394956911295,0.053017744033115384,0.25206869429073414,0.3800614017707787,4.944382608021869,3.450882099609924,3.1963072683949636,3.0067802440663662,2.4217459234026113,2.024387111724562,1.8087558392749092,1.506041572660663,1.7579621533090564,1.501792776981019,1.2491720298865943,0.8345211024545831,0.5238411979998887,0.35239093935181903,0.13870345281204352,0.5054300995631836,0,0,0,1,0,2,5,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.10206207261596577,0.0,0.0,0.0,0.49279927982674443,0.348461712529338,0.24639963991337221,0.174230856264669,0.12319981995668611,0.0871154281323345,7.112884175122364,4.3080604124904465,3.0092019217677626,1.9974002407106257,0.946923425058676,0.5350747745081851,0.348461712529338,0.10206207261596577,0.7903204639024849,0.5385075515613058,0.3761502402209703,0.2853428915300894,0.1893846850117352,0.13376869362704627,0.116153904176446,0.10206207261596577,6.443782196396601,3.825444488791574,2.349335306374634,1.4535064210999198,0.74894547894534,0.3894193839563013,0.22780773160461976,0.08838834764831843,0.7159757995996223,0.47818056109894674,0.29366691329682926,0.20764377444284568,0.14978909578906802,0.09735484598907533,0.07593591053487325,0.08838834764831843,13.049421534703852,24.433357611070644,23.152941176470595,23.479999999999997,14.86867544910179,192.38056167664672,0.521976861388154,0.9773343044428258,0.9261176470588238,0.9391999999999999,0.5947470179640716,7.695222467065869,2.545800000000001,39.440000000000005,25.411910189540066,39.687612790548684,50.82382037908013,5.647091153231126,25.41191018957151,0.0897975787585345,0.009977508750948279,-2.169177539973587,37.381945530344915,4.153549503371657,3.2590690632303767,85,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.686624149659863,0.4059722222222226,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.157385204081633,0.8027777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.074108087679516,0.0,4.999962207105064,0.0,0.0,0.0,0.0,0.0,0.0,0.4059722222222226,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.686624149659863,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.686624149659863,0.4059722222222226,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2324546485260771,0.4013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.924880007558579,0.0,0.7120181405895691,0.0,0.0,0.0,0.0,0.0,0.0,0.4059722222222226,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.686624149659863,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.686624149659863,0.4059722222222226,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4013888888888889,0.4013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1492280801209374,0.0,1.2053514739229025,0.0,0.0,0.0,0.0,0.0,0.0,0.4059722222222226,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.686624149659863,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.166666666666664,2.2407407407407405,0.45573979591836733,10.686624149659863,0.2324546485260771,0.4059722222222226,4.112754394368858,1.2606944444444441,3.6866241496598637,7.671704459561602,1.2606944444444441,3.6866241496598637,7.671704459561602,4.33333,0.48148,0.0,0.01852,0.47467,0.78519,0.42414,0.47467,0.78519,0.05053,0.0,-0.05053,0.0,0.61321,0.10108,0.0,0.30769,0.11538,0.0,5.75,0.63889,4.25,0.47222,1.5,0.16667,-2.75,-0.30556,0.0,0.0,7.87957,0.87551,9.9223,2.04273,0.22697,3.61989,0.40221,4.30805,0.68816,0.07646,0.10595,0.01177,0.10595,0.01177,0.0,8.01,1,1,1,1,0,0,0.875,1.1238561897747248,1.733660689688186,3.003074189428569,3.783465189601647,3.4292750707107134,3.319079570624174,28.09640474436812,43.34151724220465,75.07685473571422,94.58662974004118,85.73187676776783,82.97698926560435,0.24200925779082827,0.3733235093510264,0.6466768277710705,0.8147248827240674,0.7384541920702908,0.7147248827240673,3.5199999999999996,2.9101955000865383,1.6407820003461553,0.8603910001730775,1.214581119064011,1.3247766191505503,0.24200925779082827,0.3733235093510264,0.6466768277710705,0.8147248827240674,0.7384541920702908,0.7147248827240673,9.698823505695543,17.016477504657075,21.265860418171656,22.052358002893605,19.936648340108263,20.373050333949795,33.32875243896086,22.797061102290208,19.292970622117352,16.788777244125605,19.96458856277346,19.947103541943672,9.0,6.125,5.877551020408164,9,1,8,2.23,1.251500000000001,0.14285714285714285,3.377018973687275,0.6324555320336759,0.0,4.832409737652294,2.6480596026220304,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.41900000000000004,0.403,0.5980000000000001,0.179,4.386,8.0,7.0,5.0,4.0,3.0,1.0,0.0,0.0,0.0,45.0,2.302585092994046,2.3978952727983707,2.302585092994046,1.9459101490553132,1.791759469228055,1.6094379124341003,0.6931471805599453,0.0,0.0,0.0,3.9889840465642745,1.1777777777777778,0.42857142857142855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.625,7.0,0.875,0,4.0,7.0,0.75,1.5,0.666666666666667,0.25,0.16000000000000003,0.1111111111111111,0.04081632653061225,0.0,0.0,0.0,0.0,0.1875,0.08333333333333337,0.03571428571428571,0.03200000000000001,0.027777777777777776,0.01360544217687075,0.0,0.0,0.0,0.0,0.37993083900226765,25.411910189540066,39.687612790548684,50.82382037908013,5.647091153231126,25.41191018957151,0.0897975787585345,0.009977508750948279,-2.169177539973587,37.381945530344915,4.153549503371657,3.2590690632303767,17.07,153.07810370749456,4.169925001442312,3.4965075614664802,4.143134726391533,4.8283137373023015,5.501258210544727,6.19644412779452,6.876264611890766,7.575071699507561,8.25712628599743,8.957381735582787,72.83150269647811,2.833213344056216,0.0,3.8918202981106265,0.0,5.117993812416755,0.0,6.411818267709897,0.0,7.739359202689098,8.053251153549096,128.120115132,5.12480460528,16.65751855230301,1.8508353947003344,2.442494267826734,2.442494267826734,0.0,110.0,7.0,2.3979999999999997,32.0,1.2353749999999997,2.132309693286349,2.8795601053504285,3.633648077007029,4.941959608297104,5.929513213547397,7.27432930476153,8.262090648719695,9.403440871860282,0.0,82.57073001704164,83.73901097462502,84.11673640215287,103.29677663617866,117.16286090267302,139.0643112925708,107.80946940961111,41.84972125305541,9.554497746025847,0.0,288.0075882972671,329.6617548920489,348.1903113559919,459.705341082002,538.1028543908839,629.7372458555674,680.1714596460939,509.1468116161293,292.2941528322691,0.0,9.127084548166666,15.447470672750756,20.959274016333445,26.53843402867569,35.359095944174435,42.637451345654654,52.81045352886179,56.71260691302964,63.17667897372192,0.0,2.129262228853333,2.655864597190799,2.8944349809926004,3.8569339955856727,4.694387822749621,5.495019068694384,6.305602451037584,5.69119341149413,4.180891161613612,0.0,177.51039411256724,331.9678117303957,475.6978513895025,589.704028193667,821.3494173686449,988.1680664393965,1222.3835106184154,1431.8998126507904,1738.86220697326,0.0,2.9628159722222223,4.417701926751487,6.3924139153069985,7.976812841465844,9.492552856852651,12.666908867644015,15.739003744536694,11.27848556231421,9.403440871860282,0.0,0.45145093750000015,0.5827593592682975,0.655612380126608,0.8652114543604424,1.051296659088521,1.2482376968849103,1.4405626125846045,1.2610940225395024,0.9629123452784929,0.0,425.00895496918565,245.90273953694128,12.648700487264408,167.64280437194927,-96.99519122298655,-16.712098195534082,257.36615059723636,342.8979307599278,29.36079868279849,0.7171310103621023,0.4149194457978445,0.021342551148968606,0.2828689896378975,-0.16366304443408453,-0.028198850222115792,251.88230489822513,145.73469121337314,7.496274597156323,99.35380295191746,-57.4843707259328,-9.904454397865083,0.22878061489150733,0.5170939885288824,3.3671859710037175,14.240283472204721,565.1126972206916,27.53906212044336,0.9535324721704037,0.046467527829596234,568.4587365773199,23.84237271282621,8.283864411300586,723.4513138859222,26.897050282250696,8.977107721645035,944.8131486219913,30.737813009744062,9.812552112009472,2.8319638304651287,2.8319638304651287,1069.9931835147304,1017.3260323230037,76.05501361742279,1.0517701793902436,14.068673879898101,13.376186314822423,4.6235200060395485,5.572703559460193,10.027117723016133,0.7993273132201963,4.475623891073423,6.726772719304769,3.4335135389841236,18.137664378590667,9.429891910886756,0.598684087056248,3.4430735532299295,10.369661772833815,11.3614839857557,5.412375397585894,2.09354738333609,6.927550150103425,8.494950875737864,2.721992961262935,3.87643918638324,3.1932883348826326,1.8380339580633203,0.19583268180595287,2.131539742935383,3.885428715658466E-10,1.5669695111941036E-41,1.2188718729911242E-94,1.8286536996400767E-169,5.2915242104296474E-266,0.0,0.0,0.0,0.0,0.0,0.0,0.3921018639923102,6.726506417047197,0.27689900693322295,6.339434683526477,0.27084517964635324,0.05951320433150427,0.7049243976061403,0.4485180019501942,4.498327678032654,0.1475085522325633,0.07808789014342335,1.4746300422753338,0.4276347991290402,1.1297868107282103,0.17220121255368145,0.10004228333458305,0.01306412127608413,0.01634520592500647,0.015012608695448935,2.7365392137569703E-12,1.103629439104908E-43,8.584614262882825E-97,1.2879357526956375E-171,3.7268637677042303E-268,0.0,0.0,0.0,0.0,0.0,0.0,1.218374690719763,6.726406923909172,0.7531657529120297,6.809630349117828,0.9694633526843608,0.10749323068308518,1.2364404676996499,1.659300391881839,4.862798302679328,0.6782785835936492,0.3093178662591579,2.0390155511028243,1.2707376851415755,1.3571512027246961,0.6567826033679822,0.3982712132134839,0.1350521309164675,0.052823405994388416,0.15644295738872266,2.8516848490171626E-11,1.1500669658243298E-42,8.945829939162601E-96,1.34212835467734E-170,3.8836793886546595E-267,0.0,0.0,0.0,0.0,0.0,0.0,4.229734702837515,6.726802007035043,3.524669520773583,17.386684733097784,9.030325315520725,0.7254668284018074,3.29090206514177,9.628382206106783,11.68149090085212,4.897649676122159,1.9064248316426524,6.93937593707839,8.40794764933592,2.589977858686986,3.553609170072014,2.8860580369468725,1.6376823734106019,0.18478833103360628,1.8991635356891527,3.4618470341708237E-10,1.396141623471813E-41,1.0859928948235693E-94,1.6292975241347767E-169,4.714652805311999E-266,0.0,0.0,0.0,0.0,0.0,0.0,1.7880846985646104,6.726389459823905,1.04282835800763,7.653371305475512,1.6508371207185175,0.1127804496806377,1.6107405291314818,2.693172388285493,5.293987284477909,1.2041311952023206,0.5215456861791143,2.563186361863048,1.9128714852684396,1.5422207191791761,1.0700561719008528,0.7019206588726795,0.2931797990914321,0.07791176317567942,0.3398150083931268,6.194240553094876E-11,2.498099129340701E-42,1.9431538028947795E-95,2.9152821304451405E-170,8.435870595137641E-267,0.0,0.0,0.0,0.0,0.0,0.0,5.404987032261229,6.726966450706952,4.525197898696276,23.72623976073097,13.658171711124778,0.8739385520800814,4.077941175988756,14.051886138443948,14.190798664092782,7.536645102760439,2.858747192183066,8.676812688741597,11.87689830555207,3.2500046117583397,5.180801461705413,4.464649552539332,2.6804764060589736,0.2367888161912717,3.108650389613586,5.666532623085911E-10,2.2852777658173032E-41,1.7776100752618074E-94,2.6669195611741304E-169,7.71719075514348E-266,0.0,0.0,0.0,0.0,0.0,0.0,2.836895657473361,6.296357696810839,3.892169329311546,14.541186947552308,7.245170452327727,1.3861809283557092,2.343525315953325,5.605664477471098,14.342932126323404,2.2607334631850575,0.9203893828244369,8.421936300347866,7.967402723287494,2.1221457850555923,1.7790110730502835,1.4716173978783598,0.6787726378950406,0.14416112410905924,0.786903952527339,1.4343899632874708E-10,5.784806527465495E-42,4.4997288821848264E-95,6.75087025151536E-170,1.9534804968482467E-266,0.0,0.0,0.0,0.0,0.0,0.0,9.786708281915862,0.8287462732583037,0.46412545199999933,0.8833104030639111,0.07479943036845081,0.5673305466238279,0.5805965580079763,0.5599822702894359,11.079580007174165,13.03760065970961,27.88156204964352,0.8249656045958665,1.7079093749212402,7.9309067446988575,0.5255724974652976,0.09122147479156097,0.9278409489661529,0.06148700274715297,0.3722306286446733,0.22728582596896182,0.021632050349842596,8.547700716955717,4.939678972990187,13.867615104205198,0.8917614234492293,0.6211485049634777,8.824389246733139,0.587175948367182,0.24088814365210226,0.9142120595709287,0.06083178314986543,0.46101711933541406,0.2914896060451772,0.15084619375972597,9.652453338752423,7.448603593420145,18.34921141101505,0.871318089356393,0.9033529191403172,9.661158362028754,0.8357036186743536,0.44825661444540515,0.8826910625080955,0.07635400305710567,0.5526556048322884,0.5905696202829437,0.5223443722629239,10.945118595148513,12.779152817504086,27.34343480471538,0.8240365937621433,1.665569597378156,9.205019096873382,0.631624416436563,0.3115858111900042,0.9070566699404929,0.06223986433886446,0.5019750454947735,0.3371014678611124,0.2523822757997864,10.14822932449995,8.87907336383164,20.83889836942426,0.8605850049107395,1.0914587891556722,9.885273868531787,0.8654784299397238,0.49111920745357496,0.8793263526737254,0.0769870416579276,0.5787842125339439,0.6332754827959353,0.6270141555516986,11.241871505925086,13.835392255616098,29.27902987173919,0.8189895290105882,1.8390738508815776,9.680304187771116,0.8398766781063474,0.448138610391363,0.8825694956019038,0.0765729590502459,0.5547962532630295,0.5963967958610621,0.5220693929840389,10.968319476268826,12.8447609585843,27.45656462609192,0.8238542434028556,1.6732624421081304 +UMLCN0205,L,cycloheptanone,C1CCCC(=O)CC1,Ketones,Cyclic,C7H12O,Marquardt (2015),IQT,PubChem,,22.5,0,-1.3461999999999998,1.8122544399999996,26.0908,21.123515999999988,0,0,20,8,12,0,7,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1278.0096159999987,1347.2978919999996,1690.8433209999985,1769.5761849999974,759.7273379999999,84.829248,0.0,0.0,0.0,3554.0140223808303,4644.187210767353,6510.258575874975,7273.485520409862,4308.8672081645645,949.7294111204717,0.0,0.0,0.0,146.75689599999998,148.22908,283.9853320000001,415.9284999999999,363.1448879999999,172.25395200000006,0.0,0.0,0.0,25.500858858187982,34.22417172000001,51.59372086909404,59.95737348098007,40.43507348098005,11.031330040980006,0.0,0.0,0.0,3292.0236027234887,2878.374393599801,5978.694206715096,9308.278441839182,8420.717949209182,4439.0901472695805,0.0,0.0,0.0,77.27777777777777,45.91666666666667,79.91666666666666,121.91666666666666,105.66666666666666,48.0,0.0,0.0,0.0,63.90048079999993,67.36489459999999,43.35495694871791,31.04519622807013,15.194546759999998,3.534552,0.0,0.0,0.0,177.70070111904153,232.20936053836763,166.9297070737173,127.60500912999758,86.1773441632913,39.57205879668632,0.0,0.0,0.0,7.337844799999999,7.411454000000001,7.2816751794871815,7.296991228070173,7.262897759999999,7.177248000000002,0.0,0.0,0.0,1.275042942909399,1.7112085860000004,1.3229159197203602,1.051883745280352,0.808701469619601,0.45963875170750024,0.0,0.0,0.0,164.60118013617443,143.91871967999003,153.29985145423322,163.30313055858215,168.41435898418365,184.96208946956585,0.0,0.0,0.0,3.8638888888888885,2.2958333333333334,2.049145299145299,2.138888888888889,2.1133333333333333,2.0,0.0,0.0,0.0,0.1275866666525277,-0.04077149565694571,-0.010050571076273189,-0.012681981706334347,0.013824369202192644,-0.014113654088903298,0.0,0.0,0.0,648.8817367999998,3.623767952376511E-13,-159.94195815999967,-54.83297008000027,-341.76805040000056,232.10211023999935,0.0,0.0,0.0,1007.6605286280635,9.947598300641403E-14,-409.4073998443736,-31.47428815655251,-636.3852756781816,573.436699365076,0.0,0.0,0.0,1.0648759999999997,1.0321604682062002E-15,0.05323099999999991,-0.19522299999999942,-0.2106860000000002,-0.1797600000000008,0.0,0.0,0.0,4.501648956075201,7.827072323607354E-15,-2.1466226705244313,-0.034733935837719,-2.949837197577203,2.8803693259017513,0.0,0.0,0.0,24.90690872403018,2.4868995751603507E-14,-12.180700651081644,-0.09091790364446672,-16.280177913594674,16.098342106305715,0.0,0.0,0.0,33.272222222222204,0.9222222222222228,1.0775000000000001,-6.317500000000003,-6.325000000000003,-5.993333333333332,0.0,0.0,0.0,0.006379333332626386,-0.0020385747828472857,-2.5770695067367153E-4,-2.2249090712867276E-4,2.764873840438529E-4,-5.880689203709707E-4,0.0,0.0,0.0,32.44408683999999,1.8118839761882553E-14,-4.101075850256402,-0.961981931228075,-6.835361008000011,9.670921259999973,0.0,0.0,0.0,50.383026431403174,4.973799150320701E-15,-10.49762563703522,-0.5521804939746054,-12.727705513563633,23.89319580687817,0.0,0.0,0.0,0.05324379999999999,5.160802341031001E-17,0.0013648974358974335,-0.0034249649122806915,-0.004213720000000004,-0.007490000000000034,0.0,0.0,0.0,0.22508244780376002,3.9135361618036767E-16,-0.05504160693652388,-6.09367295398579E-4,-0.05899674395154406,0.12001538857923964,0.0,0.0,0.0,1.245345436201509,1.2434497875801752E-15,-0.3123256577200421,-0.0015950509411309952,-0.32560355827189347,0.6707642544294048,0.0,0.0,0.0,1.6636111111111103,0.046111111111111144,0.02762820512820513,-0.11083333333333338,-0.12650000000000006,-0.24972222222222218,0.0,0.0,0.0,-0.3195592198359072,-0.0403971602104029,-0.034876827330963873,0.04334110942749913,-0.09218344452442359,0.0,0.0,0.0,5.584635453368352E-16,-0.12640441601827507,-0.029650454826241467,-0.21068125731844495,0.2980796256554458,0.0,0.0,0.0,9.871973763014339E-17,-0.20835639263012132,-0.010959653142837755,-0.2526189158345319,0.47423105556012823,0.0,0.0,0.0,9.692776137373746E-16,0.025634861446730585,-0.06432607951124247,-0.07914010645370927,-0.14067365589984254,0.0,0.0,0.0,1.7387122807619923E-15,-0.24453975631415006,-0.0027073070394625386,-0.2621117040764585,0.5332063417218389,0.0,0.0,0.0,9.984778130097655E-16,-0.2507943969929198,-0.0012808100425502345,-0.26145641908403605,0.5386170253896274,0.0,0.0,0.0,0.027717482050425814,0.016607369921779684,-0.06662214059108372,-0.07603940557689104,-0.15010853230923366,0.0,0.0,0.0,1.020755313228481,0.7559095157997151,1.0212827463256482,1.0041091006603384,1.3202437935692803,0.0,0.0,0.0,1.0751276852703684,1.1026950618157632,0.9853651830093146,1.1233163086306188,0.5483628341965073,0.0,0.0,0.0,1.2897095203182558,1.3227789951982107,0.9602678923604369,1.0947053972908976,0.13112037715894478,0.0,0.0,0.0,0.4947069893583855,0.5073917839573183,1.0532506445194874,1.200705734752216,1.6769586318031395,0.0,0.0,0.0,1.3538360905317763,1.3885498364428472,0.9527677087097336,1.0861551879290965,0.006429823965990854,0.0,0.0,0.0,1.3571302887634016,1.3919285012957967,0.9523824223668534,1.085715961498213,2.4438515607362723E-5,0.0,0.0,0.0,0.4496994489898149,0.4929550329450148,1.0586074469861417,1.2064952412756729,1.7131407580564377,0.0,0.0,0.0,28.240817411287985,14.245408705643992,20.73349847520831,28.428317411287985,3.553539676410998,14.245411409348042,0.25,0.0973178092982622,0.012164726162282775,-1.86381861729073,28.971401561375206,3.6214251951719008,2.6930473522892866,28.242695558320328,14.24598056870951,20.73435572354182,28.429644742644346,3.553705592830543,14.245983270466379,0.24926557909869018,0.09727315467902223,0.012159144334877778,-1.864185784350175,28.972272624180334,3.621534078022542,2.6930714049664406,29.91746456279436,14.75923504236816,21.545306640085165,29.618218704250832,3.702277338031354,14.759236522404313,-0.39899447805803945,0.053514104404200125,0.006689263050525016,-2.3422480208816583,30.16615392542112,3.77076924067764,2.7253764519567643,28.244666735910222,14.246580768064577,20.735255549055964,28.431037836074424,3.553879729509303,14.246583467779713,0.248494800218932,0.09722627804265105,0.012153284755331381,-1.8645714030565976,28.97318773984271,3.621648467480339,2.693096673297225,31.71288913970747,15.31529743768416,22.536804390561553,30.90116844145311,3.8626460551816386,15.315298254037426,-1.0822942643391524,0.002110057538105975,2.6375719226324687E-4,-4.928832050097139,32.90811980765345,4.113514975956681,2.7949755439878383,28.437645213807393,14.305389699842848,20.82392456152368,28.567495853216123,3.5709369816520153,14.305392208687303,0.17313418587830398,0.09258641997581585,0.011573302496976981,-1.9036902404908187,29.067382777000425,3.633422847125053,2.6956933430134016,27.55785584913095,13.805690623381961,20.17511128634201,27.944250406954076,3.4930313008692595,13.805695560292511,0.7727891156462512,0.15435703820532679,0.019294629775665848,-1.4947895440605325,28.818061825299175,3.602257728162397,2.688801869823489,0,11.900000000000002,15.994916387622723,-0.2991931910850152,0.1327090224582913,4.3812473563356225,7.145119699272736,8.0,20.0,19.0,19.0,7.0,1.0,1.0,0.0,0.0,1.0,14.076483999999997,3.6418142632972406,3.092800089837683,2.9458174206676064,2.0457615692444207,1.7531311213619318,1.341104296148708,1.1229465607169873,0.08392307051869134,1.8409612260031356,1.7861698446069996,1.1142499187558659,1.025282229342485,0.6149147464314465,0.5418324387092409,0.18439752087223665,0.08392307051869095,3.626598398969864,3.044176246320808,2.9841159950773335,1.938554151173809,1.8342629607918555,1.3475609564450106,1.2470199534942865,0.2709139018929376,1.778043787406191,1.7671484924575602,1.0083909268115478,0.9773045799234947,0.46622248946693456,0.4172453412399494,0.2676505291928254,0.2709139018929368,3.7510096029127387,3.22166090549838,3.152527082569349,2.2863506243840366,2.1769614938678807,1.8199220512522307,1.732917971819789,0.9439184268026225,1.5909372808220068,1.5900128945121386,0.6780849349778881,0.6628293389548336,0.038370947950741405,0.07713922926231001,0.25917788279383713,0.9439184268026215,3.6346970698678995,3.0432143163238377,3.0123593150282435,1.9348387484338179,1.8934718587046526,1.3737919094792344,1.3351362718426592,0.39927724550898247,1.7578422659505122,1.7377967621385184,0.9556526142993604,0.9392364811082989,0.3723929104549982,0.366102465801789,0.2225829959148889,0.3992772455089817,3.7914436123733557,3.2619028674965724,3.233982116345064,2.3612902827500886,2.332680125263233,1.959008498363068,1.9376750084922507,1.2076448229620884,1.5566686404931664,1.5319679213350006,0.5984244905773827,0.5700771702137716,0.19425180331871136,0.22064231033449125,0.4195166088502323,1.2076448229620866,5.235260267053311,3.539316597291132,3.062517418289971,2.764599233875365,2.013212842025016,1.7923176424302618,1.5140320013582136,0.6562500000000006,1.6753447371630519,1.5693701588284237,0.817629709937648,0.6682785370598366,0.17491281457250252,0.07367898331221855,0.5892089385504092,0.6562499999999994,0,0,0,1,0,0,6,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.10206207261596577,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.14433756729740646,0.15309310892394865,0.14433756729740646,5.819990956308912,3.893846850117352,3.0967355470852604,2.143846850117352,1.4834895175441694,1.0260475702906076,0.7093056307728542,0.14433756729740646,0.727498869538614,0.486730856264669,0.34408172745391785,0.23820520556859467,0.16483216861601882,0.11400528558784528,0.07881173675253936,0.07216878364870323,5.150888977583149,3.4112309264184795,2.452888696967908,1.661230926418479,1.12289095789068,0.7573921585058765,0.5096687836487033,0.051031036307982884,0.6438611221978936,0.42640386580230993,0.2725431885519898,0.18458121404649766,0.12476566198785334,0.08415468427843072,0.05662986484985592,0.025515518153991442,10.965765927132102,19.657683903860157,18.70196078431373,18.960000000000004,12.271566467065865,153.06674610778444,0.5482882963566051,0.9828841951930078,0.9350980392156865,0.9480000000000002,0.6135783233532932,7.653337305389222,1.9097,32.70899999999998,35.59038201234863,46.32214031638946,71.18076402469725,8.897595503087157,35.59038201234863,0.05772215835799485,0.0072152697947493565,-2.2816913217487484,160.03789181855225,20.00473647731903,4.060328488849147,53,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.683055555555555,0.4745370370370374,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9458333333333337,0.8027777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.509074074074073,0.0,0.0,0.0,0.0,0.0,0.0,0.4745370370370374,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.683055555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.683055555555555,0.4745370370370374,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.265625,0.4013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8472222222222221,0.0,0.0,0.0,0.0,0.0,0.0,0.4745370370370374,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.683055555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.683055555555555,0.4745370370370374,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4013888888888889,0.4013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2695833333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.4745370370370374,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.683055555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.666666666666668,2.2083333333333335,0.46597222222222223,10.683055555555555,0.265625,0.4745370370370374,3.0704639814814807,1.1921296296296293,3.6830555555555553,7.36611111111111,1.1921296296296293,3.6830555555555553,7.36611111111111,3.83333,0.47917,0.0,0.02083,0.49833,0.79583,0.43333,0.49833,0.79583,0.065,0.0,-0.065,0.0,0.60209,0.1122,0.0,0.08696,0.13043,0.0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0.0,0.0,6.34097,0.79262,8.18965,1.84868,0.23109,3.20568,0.40071,3.89384,0.68816,0.08602,0.02016,0.00252,0.10616,0.01327,0.35,8.01,1,1,1,1,0,0,0.8571428571428571,1.1883763717345073,1.6709505944546688,2.2841837197791888,2.821928094887362,2.6219280948873624,2.4219280948873623,23.767527434690145,33.419011889093376,45.68367439558378,56.43856189774724,52.43856189774725,48.43856189774725,0.274964401453208,0.3866215628231586,0.5285103476111207,0.6529326802603611,0.6066570376284094,0.5603813949964576,3.1335517231528556,2.6509775004326936,2.037744375108174,1.5000000000000004,1.7000000000000002,1.9000000000000004,0.2705579440983779,0.38042573739981583,0.520040675551659,0.6424690711679245,0.5969350214285339,0.5514009716891433,10.26329029357419,16.054180966216126,17.356537381922905,19.412599896020986,17.012599896020987,19.009469883220987,29.299149156549078,23.463070513742014,23.178918149482822,20.55691823574533,23.729545663475,21.07200318756511,6.125,3.111111111111111,2.2222222222222223,0,1,0,2.12,1.0020000000000011,0.0,0.0,0.0,0.0,8.254818122236566,3.3019272488946267,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.405,0.403,0.748,0.387,4.242999999999999,9.0,9.0,9.0,9.0,9.0,2.0,0.0,0.0,0.0,63.0,2.302585092994046,2.4849066497880004,2.4849066497880004,2.4849066497880004,2.4849066497880004,2.4849066497880004,1.6094379124341003,0.0,0.0,0.0,4.343805421853684,1.2063492063492063,0.25,1.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0,3.0,4.0,0.3333333333333333,1.0,0.44444444444444464,0.25,0.125,0.0,0.0,0.0,0.0,0.0,0.0,0.125,0.04938271604938274,0.027777777777777776,0.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.2646604938271605,15.42447622335995,22.260673985091547,30.8489524467199,3.8561190558399874,15.424476974049385,0.004696082503267862,5.870103129084828E-4,-4.288821302217352,30.517841839093975,3.814730229886747,2.7346491927289516,17.07,123.42566038082786,4.0,3.5553480614894135,4.2626798770413155,5.003946305945459,5.726847747587197,6.472346294500901,7.199678345691172,7.945555428253489,8.67470962929122,9.420033875565988,74.26114556536616,2.833213344056216,0.0,3.970291913552122,0.0,5.25227342804663,2.70805020110221,6.597145701886651,4.976733742420574,7.9748769005588755,8.309676895987726,112.088815004,5.6044407502,15.737905563198431,1.967238195399804,2.5054279194969697,2.5054279194969697,0.0,61.0,9.0,1.4889999999999999,34.0,1.262696668196315,2.161566281815261,2.8636938734917523,3.484602465215047,4.147844380997441,0.0,0.0,0.0,0.0,0.0,97.49984838957002,104.24852151547584,94.2990368547667,54.672601652183246,14.080225684205026,0.0,0.0,0.0,0.0,0.0,319.51085121222155,382.46868340347953,377.004034442449,305.970561911941,162.18206903698245,0.0,0.0,0.0,0.0,0.0,9.425985094481003,15.853410170678721,21.033067053664343,25.43468342156502,29.664351793935882,0.0,0.0,0.0,0.0,0.0,2.294015208150703,2.9677835923439746,3.06781894670164,2.846427731776801,1.903046350116689,0.0,0.0,0.0,0.0,0.0,179.67595027108774,328.6383765870611,465.71446324238786,585.717663162532,767.1837200642804,0.0,0.0,0.0,0.0,0.0,3.083777170808704,4.721681274865309,6.453085526063379,7.633325677172557,8.065175069518187,0.0,0.0,0.0,0.0,0.0,0.48871387586042736,0.651132796044497,0.6961721737151054,0.6778616537754532,0.4915950416982255,0.0,0.0,0.0,0.0,0.0,237.29755037010352,118.07124585750893,7.201216236862645,57.94682375761936,-28.83238223014377,-14.345736242062424,179.35072661248415,146.9036280876527,21.546952478925068,0.8037326742336112,0.3999102309953965,0.024390697564138492,0.1962673257663888,-0.09765599197385846,-0.04858936358887723,70.060766741063,34.859871085680716,2.1261185808109078,17.108473713007793,-8.512598646150078,-4.235497918189112,0.2665771652365351,0.601267949128984,0.8970336821510027,27.63721367009389,249.27948657612458,45.96488755159832,0.8443157886161317,0.15568421138386834,543.9077663328715,23.32183025263822,8.162848822344182,660.1521993143231,25.693427161714396,8.707256900683046,961.0612167633315,31.000987351426915,9.868481938726879,1.0568194709929202,1.0346062696546194,305.71797859159085,237.05554859967404,182.02968571204912,1.2896470063557552,1.6794951735246249,1.302290599867704,3.639633441790479,3.5423023528275945,5.262672838711713,0.4856644957229176,3.3468066591015697,6.2573363779930435,6.312302419147028,11.1662465932663,9.050591097010514,11.044873238870274,6.345647975610322,2.5146090314283542,2.934266382964243,0.0035799083252841778,2.4520096521667776E-24,3.2392791627788863E-67,8.253734298787162E-132,4.056285319549732E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2808743076453232,6.518397989299734,0.5032871296716948,4.611293360672222,1.7071291296692224,1.8391775946720954,1.5820314956106307,0.048043214780437445,0.020711340314042644,2.521358704720173E-5,1.7269704469479177E-26,2.2814508004036337E-69,5.813172553529702E-134,2.8568749168914836E-220,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9066964639282225,5.905910773101358,1.6411331428124047,4.831270214021516,2.5161397758668103,2.405216396930575,1.8132556016681685,0.22020241443007893,0.21541028585129945,2.6274501680963685E-4,1.799636355841068E-25,2.377447634801886E-68,6.057773998737693E-133,2.977083929614805E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1591124774788426,6.580207732819385,5.939973552155293,10.953051783931668,8.929910019666154,10.59264745346983,6.636053483992524,2.3445718314933974,2.614535570267466,0.0031896338667966547,2.1846964552207063E-24,2.886139415536031E-67,7.353928663763434E-132,3.6140771922138185E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3363037548289634,5.677499859216519,2.4363898849861356,5.292759258109991,3.134043683379821,3.1957796220401624,2.113410664083374,0.4118687828026282,0.46780145782068777,5.707172862410689E-4,3.9090506442240922E-25,5.1641339530996355E-68,1.3158294605169007E-132,6.46662411280921E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.04175373160994,6.499484246416915,7.711056694042874,14.070375576318945,12.02842656915582,14.720136889567943,8.220219476944207,3.6660355532959548,4.279352657233401,0.005220959847011843,3.576025633961449E-24,4.724184226362332E-67,1.2037295775849647E-131,5.915710922488955E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.162024034658413,10.239689344792795,4.09118479399386,11.795705270140887,9.459219635847145,10.496124468431924,10.057420845850464,1.8186136202316643,1.264794735949755,0.001541737862744455,1.055992438091356E-24,1.3950411238139535E-67,3.5545867439112665E-132,1.7468963143763974E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9726989294826145,1.5587984197887306,0.8431182367637833,0.4509422349657339,0.356328090807523,0.48448313826565353,0.5175945385400016,0.4227362009342032,4.374615586035128,6.052509792250051,13.019747659139192,0.21090548865988532,1.4248138777398585,1.747173102256295,1.1272164939801537,0.5195098939774349,0.5147981274325211,0.33213019337503025,0.5605365864895182,0.18528191429239443,0.13172660757061866,3.3938994902138835,3.4627161730924088,7.87976044387992,0.27219719114878155,0.8775451083525314,1.6124545462471147,1.3347639865757355,0.6132812198572855,0.4528730959841672,0.37488107830115797,0.3378700211654327,0.35754320213291874,0.2472029154078392,3.5604997526801356,3.9597200353165642,8.840151998733061,0.2416312614279878,0.9426161387061907,1.9357029460159239,1.5785609484233043,0.8788895947829429,0.44061810058875256,0.3593229674984099,0.46792959894688063,0.5353102884797064,0.49858153838177405,4.393153489222171,6.144275048472702,13.222985624595765,0.19991160213074374,1.501821425808361,1.717384171371827,1.3652484384788097,0.6234006063248461,0.4634022609069103,0.3683853756409949,0.3671183056521113,0.3921614412602667,0.23532380593763355,3.706033216175483,4.266371096291241,9.43406432079278,0.2476814548218578,0.9946035528500116,2.018990020729234,1.5965725576812606,0.887883089125429,0.4483211677857172,0.35452244249120274,0.5076322520078892,0.5441354265556907,0.4704971480486823,4.503445667535924,6.433660932374026,13.799165828367201,0.20426541541537993,1.5222648266122623,1.9343637711312205,1.5907469276192852,0.8926593230496205,0.43785977123884273,0.3600791620590284,0.4686492849094471,0.5439307590734145,0.520090665107839,4.417770021800126,6.223806155846644,13.388363206979093,0.19690839994680676,1.5326707090907006 +UMLCN0206,L,2-nonanone,CCCCCCCC(=O)C,Ketones,,C9H18O,Marquardt (2015),IQT,PubChem,,46.1,0,-1.6078000000000012,2.585020840000004,35.7763,28.64427399999997,0,0,28,10,18,0,9,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1572.634241999998,1564.2045409999994,1769.5822329999978,1503.7998029999967,1264.758481999997,1068.0017529999975,871.2450240000001,674.4882950000002,477.73156600000004,4587.5502924650655,5756.123810739794,7385.180740683666,7274.701679277834,6208.3649090318895,5201.5665640767675,4194.76821912165,3187.9698741665256,2181.1715292113977,202.1487120000001,198.475388,367.00190799999996,476.60657999999967,425.6189599999998,362.73405999999994,299.8491600000001,236.9642600000002,174.07936000000007,33.74633628728199,43.69433758000001,60.94266415818806,63.48575613607408,55.527600747772084,46.50607188837607,37.48454302898003,28.46301416958398,19.441485310187993,4655.118227048983,3923.904035967201,8006.93540513799,10935.321137027426,10010.319064045874,8531.363909007277,7052.408753968682,5573.453598930085,4094.4984438914885,91.27777777777777,61.75000000000001,100.83333333333336,131.08333333333334,103.83333333333333,91.58333333333333,79.33333333333333,67.16666666666667,57.5,56.16550864285707,57.9335015185185,34.69769084313721,22.78484549999995,21.079308033333284,20.941210843137206,20.743929142857144,20.43903924242425,19.90548191666667,163.84108187375233,213.1897707681405,144.8074655036013,110.22275271633082,103.47274848386482,101.9915012564072,99.8754337886107,96.60514770201593,90.8821470504749,7.219596857142861,7.350940296296296,7.196115843137254,7.221311818181813,7.09364933333333,7.112432549019607,7.139265714285717,7.180735151515157,7.25330666666667,1.205226295974357,1.6183087992592595,1.194954199180158,0.9619053960011225,0.925460012462868,0.9118837625171778,0.8924891197376197,0.8625155808964842,0.8100618879244997,166.25422239460653,145.32977910989632,156.99873343407822,165.68668389435493,166.83865106743124,167.2816452746525,167.91449414211147,168.89253330091165,170.60410182881202,3.259920634920635,2.287037037037037,1.9771241830065365,1.9861111111111112,1.7305555555555554,1.795751633986928,1.8888888888888888,2.0353535353535355,2.3958333333333335,0.13854891307384576,-0.04290989489243233,0.0029274073448916148,-0.03395825688460401,0.0016749913068733885,-1.7272109430753718E-4,-7.731403267839733E-4,0.0024725774679204998,0.017316406165398753,850.0347218571434,-48.03777086224552,-160.09487359693895,-217.5330513061223,13.873625306122669,12.40173640306147,10.929847500000271,9.457958596938987,7.9860696938777025,1367.240347528959,-97.12506317639586,-445.754976219178,-212.11338620917252,8.337032087174656,8.140890814631256,7.944749542087855,7.748608269544739,7.552466997001737,1.1272628571428551,-0.0044317551020389345,0.07789722448979622,-0.29878702040816163,-0.009034122448981644,-0.020759918367348293,-0.03248571428571499,-0.044211510204081615,-0.05593730612244829,6.076807390600708,-0.4568662048814571,-2.4127958369006435,-0.48341459485475463,-0.029762392665389215,-0.030217888873803667,-0.03067338508221723,-0.031128881290630794,-0.03158437749904436,33.41705860397568,-2.5195126732361293,-13.798515780005268,-1.9262346163690385,-0.28642061492250237,-0.2937489776996629,-0.30107734047682166,-0.30840570325397865,-0.3157340660311374,35.0833333333334,-0.2291666666666659,4.145833333333334,-8.458333333333343,-1.000000000000003,-1.562500000000002,-2.1250000000000004,-2.6041666666666674,0.12500000000000067,0.004948175466923063,-0.0015892553663863827,5.7400144017482645E-5,-5.145190437061214E-4,2.7916521781223143E-5,-3.3866881236771994E-6,-1.840810301866603E-5,7.492658993698484E-5,7.215169235582813E-4,30.358382923469406,-1.7791766986016861,-3.1391151685674306,-3.295955322820035,0.23122708843537781,0.24317130202081313,0.2602344642857207,0.2866048059678481,0.3327529039115709,48.83001241174854,-3.5972245620887353,-8.740293651356431,-3.2138391849874623,0.13895053478624425,0.15962531009080894,0.18916070338304417,0.23480631119832543,0.31468612487507236,0.04025938775510197,-1.6413907785329387E-4,0.0015273965586234553,-0.004527076066790328,-1.505687074830274E-4,-4.070572228891822E-4,-7.734693877551189E-4,-0.0013397427334570187,-0.0023307210884353454,0.2170288353785967,-0.01692097055116508,-0.04730972229216948,-0.007324463558405373,-4.960398777564869E-4,-5.925076249765425E-4,-7.303186924337436E-4,-9.43299433049418E-4,-0.0013160157291268483,1.1934663787134172,-0.09331528419393072,-0.27055913294127976,-0.029185372975288462,-0.00477367691537504,-0.005759783876463979,-0.007168508106590992,-0.009345627371332686,-0.013155586084630725,1.252976190476193,-0.008487654320987626,0.08129084967320263,-0.1281565656565658,-0.01666666666666672,-0.030637254901960825,-0.0505952380952381,-0.07891414141414144,0.005208333333333361,-0.32118007475887544,0.011600264461352244,-0.10398156798309056,0.0056417808882962975,-6.844316953422739E-4,-0.0037201799212089764,0.015142266162112606,0.14581474088406654,-0.05860577959922376,-0.10340192283893516,-0.10856821099888042,0.00761658119334878,0.008010021569127211,0.008572079248810684,0.00944071384468506,0.010960824387465212,-0.07366831144247754,-0.17899429509982082,-0.06581688241009355,0.0028455969581693704,0.003268999990104507,0.0038738614642975584,0.004808647378959724,0.006444522729618611,-0.004077038599090295,0.037938891865783336,-0.11244771267582487,-0.003739965157913913,-0.010110864709749515,-0.019212149783800404,-0.0332777721709699,-0.05789261134851657,-0.07796646248249563,-0.2179881867293803,-0.033748803681447156,-0.0022855943399925104,-0.0027300871054435714,-0.0033650767703735616,-0.004346424434356274,-0.00606378284632602,-0.07818844825316874,-0.2267002554633742,-0.024454290037689147,-0.003999841973362641,-0.00482609646923875,-0.006006460034776011,-0.007830658272424462,-0.011023005188309313,-0.0067739948975103015,0.06487820781519248,-0.1022817246095155,-0.013301662707838495,-0.02445158585999719,-0.04038004750593817,-0.06298135751817452,0.004156769596199539,1.1271414427269175,0.786907802771887,1.1895082811681637,0.7400102854312219,0.8273001591570605,0.9483892905077141,1.117723223129063,1.341527355734552,1.2911780245895108,1.1409256093458608,1.0899187185270094,0.8922734541865781,0.8989307663476775,0.9084412122921053,0.9231391742062212,0.9488606075559242,1.4945222044734496,1.320919219026603,1.0106169015783997,0.9222886478534912,0.9107014305307802,0.8941482629269076,0.868566094811832,0.8237973006104498,0.5550400210877431,0.5542752326077572,1.2933497920027892,0.7284020712623762,0.8346674789264229,0.9864752041607752,1.2210871431593198,1.6316580364067728,1.5525472435137315,1.3808343494088857,0.9769722553662811,0.9235833221648064,0.9112091459469835,0.8935317513500937,0.8662121415185366,0.8184028243133117,1.5555440514176975,1.38721696153916,0.9709998305204149,0.9208552289676417,0.9101393054775068,0.8948308433487423,0.8711723109679246,0.8297698793014938,0.5391923990498803,0.4960877462623995,1.289462319153528,0.7193586698337279,0.8387592566717882,1.0093315235833031,1.2709997840639147,1.6206947743467903,62.9328085690735,31.591404284536758,50.87529316480243,63.13280856907352,6.313280856907353,31.591404284536836,0.25000000000001066,0.10580319692759188,0.010580319692759188,-2.2461745433075357,51.914395537161575,5.191439553716157,3.949596122369933,62.93474667588842,31.592006127493555,50.8760665818931,63.134159139167366,6.313415913916737,31.592006127493633,0.24926557909868663,0.10578200494416956,0.010578200494416956,-2.2463748596179935,51.91269946866941,5.1912699468669405,3.9495634513510196,64.66161619888743,32.1313108604147,51.577368700435265,64.342420616441,6.434242061644101,32.13131086041474,-0.3989944780580359,0.08633672479446775,0.008633672479446774,-2.4495002233886756,50.61581372295455,5.061581372295455,3.9242640516369764,62.93678077660739,31.592637788413178,50.87687833841699,63.13557661678256,6.3135576616782565,31.592637788413256,0.24849480021896753,0.10575976189458086,0.010575976189458085,-2.246585154256287,51.910920001821744,5.1910920001821745,3.9495291726992656,66.51351174743584,32.71560874154834,52.35791386666068,65.64767633596452,6.5647676335964515,32.71560874154836,-1.0822942643391684,0.06408252770184325,0.006408252770184325,-2.747583530966249,49.67318650634453,4.967318650634453,3.905465280601765,63.13588844708774,31.654511316483,50.95649743698845,63.27439579579034,6.3274395795790355,31.65451131648307,0.17313418587826135,0.10357534778110322,0.010357534778110323,-2.26745593325358,51.739728948677964,5.173972894867797,3.946225938025142,69.58172759987883,34.80030747415586,56.905699664332815,69.96648950464072,6.996648950464072,34.80030747415586,0.6412698412698248,0.14042719106132723,0.014042719106132723,-1.963066137613783,55.113248555048685,5.511324855504869,4.009390132901614,0,11.89,15.994916891482752,-0.2995102716215174,0.19111358850265014,4.105421541187994,7.367922806315939,9.0,27.0,26.0,26.0,8.0,1.0,1.0,0.0,0.0,1.0,20.635725999999995,3.5558965410760472,3.3723161840830644,3.0326190813828244,2.5919762830257893,2.1762790618509515,1.9731646260232019,1.6149720893775212,1.2999373174601485,1.9137586744602817,1.7542909405864187,1.5474678537513094,1.3185282234787656,1.0497260261405483,0.7995959324386767,0.6207932931562236,0.5208056098098169,3.5469899300225114,3.3613646927003176,3.0415659975697253,2.6355722672489845,2.2277833266252003,1.9051571577456632,1.627286552425563,1.3844469540560675,1.8618587886880407,1.7107614432191232,1.4863296706906344,1.2200289651761609,0.9401208753563669,0.6854683081905599,0.4941114665618876,0.3764414578710769,3.678616491994355,3.515260736393801,3.2275514728201045,2.8675235120114073,2.5237223409540226,2.2722104318509584,2.039098164960887,1.8413058078974127,1.6828274460183896,1.505351036236975,1.234118028384041,0.9076329988205029,0.5676449956961139,0.2555463250472979,0.012429269946821399,0.142396147290951,3.560077008053213,3.3706762934899186,3.060183129048423,2.672156712800971,2.2747138293314983,1.9286557459892006,1.650463561583642,1.4428167591690377,1.8316470033975931,1.6849598169675064,1.4461560527380346,1.1561010010833028,0.8691709273594902,0.6239347217860917,0.4366921638960925,0.311706473844334,3.727256060900039,3.5654774555474167,3.2996718263013114,2.9736838857171453,2.6505299599504006,2.3770599742596876,2.1637251821435854,2.0128021794303423,1.6328797661499188,1.4548392542005888,1.164938125881276,0.8066395421946327,0.44414721855578093,0.13019781974012157,0.11755966374825548,0.29409102639503865,4.983530563614473,3.5094591730285085,3.2544604559669716,2.9325450063069822,2.759739041769283,2.337173178424917,1.9228142448189813,1.6277347841346839,1.793170615491388,1.5564561956715677,1.2586017235659877,1.0085924716669619,0.7279365922197605,0.43602546151518023,0.21904025113444994,0.09643993831504895,0,0,0,1,0,2,6,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.14433756729740646,0.0,0.0,0.0,0.2886751345948129,0.20412414523193154,0.14433756729740646,0.10206207261596577,0.07216878364870323,0.051031036307982884,7.819990956308912,4.7700556100296625,3.59673554708526,1.885027805014831,1.1561392483545432,0.6925139025074155,0.4012929288806348,0.2165063509461097,0.7819990956308912,0.5300061788921847,0.3996372830094733,0.2692896864306901,0.1926898747257572,0.1385027805014831,0.1003232322201587,0.07216878364870323,7.150888977583149,4.2647843170117525,2.866228665495707,1.6323921585058763,0.9774988695386139,0.5661960792529381,0.31197273947267,0.15051551815399145,0.7150888977583149,0.47386492411241693,0.31846985172174525,0.23319887978655376,0.16291647825643565,0.11323921585058763,0.0779931848681675,0.05017183938466382,14.591249338489726,27.321194464675887,25.878431372549027,26.239999999999995,16.667229940119757,215.40881676646708,0.5211160478032045,0.975756945166996,0.924229691876751,0.9371428571428569,0.5952582121471341,7.693172027373825,2.9359000000000015,44.057000000000016,32.77768137085279,52.236788515417416,65.55536274170558,6.555536274170558,32.77768137085281,0.06273100689394723,0.006273100689394723,-2.7688994257676924,49.79340041132606,4.979340041132606,3.907882453387887,111,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.47643857079869,0.33009117535903276,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8940651769967247,0.8027777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.8658672682035777,0.0,6.994269652305366,0.0,0.0,0.0,0.0,0.0,0.0,0.33009117535903276,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.47643857079869,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.47643857079869,0.33009117535903276,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.21933834876543212,0.4013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6664888038548753,0.0,0.7814625850340136,0.0,0.0,0.0,0.0,0.0,0.0,0.33009117535903276,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.47643857079869,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.47643857079869,0.33009117535903276,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4013888888888889,0.4013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1993784643487024,0.0,1.317365835222978,0.0,0.0,0.0,0.0,0.0,0.0,0.33009117535903276,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.47643857079869,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.666666666666664,2.1666666666666665,0.49890144715293516,10.47643857079869,0.21933834876543212,0.33009117535903276,4.994749776549509,1.336575491307634,3.47643857079869,7.351634070294784,1.336575491307634,3.47643857079869,7.351634070294784,4.83333,0.48333,0.0,0.01667,0.47024,0.77667,0.425,0.47024,0.77667,0.04524,0.0,-0.04524,0.0,0.62232,0.09197,0.0,0.27586,0.10345,0.0,6.25,0.625,4.75,0.475,1.5,0.15,-3.25,-0.325,0.0,0.0,9.28658,0.92866,11.32243,2.03585,0.20358,4.02767,0.40277,4.77005,0.74238,0.07424,0.14395,0.0144,0.14395,0.0144,0.0,9.01,1,1,1,1,0,0,0.8888888888888888,1.1077843849525173,1.71205883275766,2.968642655794603,3.529696439528413,3.451134620234851,2.989717315286851,31.017962778670483,47.937647317214484,83.12199436224888,98.83150030679556,96.63176936657584,83.71208482803183,0.23043532314821738,0.35613322929459906,0.6175210076904389,0.7342283847887108,0.7178863795556258,0.6219048445058883,3.699570537105086,3.0952960892999437,1.8387122662630007,1.2776584825291906,1.3562203018227525,1.8176376067707527,0.23043532314821738,0.35613322929459906,0.6175210076904389,0.7342283847887108,0.7178863795556258,0.6219048445058883,9.474970853405472,16.726264227067183,19.8985485050746,21.24914790747699,18.47894833823181,18.013920428107237,37.17060982410168,26.18488128074051,22.89272258488231,20.32965204069865,24.783345803350567,26.21324985742634,10.0,7.111111111111111,9.142857142857142,10,1,9,2.3400000000000003,1.392400000000001,0.12499999999999997,3.4082726272682864,0.7559289460184545,0.0,7.473424936522629,2.0041451295984074,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.41900000000000004,0.403,0.5980000000000001,0.179,4.885,9.0,7.0,6.0,5.0,4.0,3.0,2.0,0.0,0.0,55.0,2.3978952727983707,2.4849066497880004,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,0.0,0.0,4.174387269895637,1.1636363636363636,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.6666666666666666,8.0,0.8888888888888888,0,4.0,8.0,1.0,1.5,0.44444444444444464,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.0,0.0,0.0,0.16666666666666666,0.04938271604938274,0.03571428571428571,0.026666666666666672,0.022222222222222227,0.02040816326530612,0.020833333333333332,0.0,0.0,0.0,0.3418940539178635,32.77768137085279,52.236788515417416,65.55536274170558,6.555536274170558,32.77768137085281,0.06273100689394723,0.006273100689394723,-2.7688994257676924,49.79340041132606,4.979340041132606,3.907882453387887,17.07,170.37408833336124,4.321928094887363,3.6109179126442243,4.23410650459726,4.919980925828125,5.564520407322694,6.255750041753367,6.90875477931522,7.601402334583733,8.258163361537619,8.951180966457603,75.30477723403985,2.9444389791664403,0.0,4.007333185232471,0.0,5.198497031265826,0.0,6.447305862541213,0.0,7.727094484779841,8.058643712215618,142.135765196,5.076277328428572,18.662654583954428,1.8662654583954428,2.3799307610099647,2.3799307610099647,0.0,158.0,7.0,3.2829999999999995,36.0,1.2369629629629628,2.135751505264851,2.886438120239228,3.613789068798337,4.946333523005389,5.971526789004177,7.2865225984113815,8.397080808949598,9.7137959332106,10.714544086402405,82.53193165111108,83.1120071386363,77.04876921732087,96.24560471522031,119.67046219968906,143.11453654178322,163.76257635465396,181.55451281010008,83.73113015515086,10.886662522606375,289.3556321681264,332.3574823508725,347.78543987603297,438.1093650867428,553.4097428928783,657.6456803967669,751.3835527193631,809.3393084279423,742.8400362622658,333.0481500756676,9.125114216888887,15.446852660777058,20.9033298763349,25.75490587207603,35.274069598256446,42.713946796337325,52.3816952992665,60.8859152683705,71.99115104911685,71.98527872090747,2.1417976972792587,2.685667999449225,2.9477285216899705,3.7660275485531463,4.821337320479318,5.734961204377244,6.598385588954449,7.12088915109543,7.260083956433444,4.763824570388049,177.5632612679851,331.6821132493749,474.67412230237716,588.9035123031626,818.1903781686975,989.056631683992,1220.3783382137092,1420.8561124699554,1664.842662475567,1981.3083349678354,2.888466049382716,4.411254514685022,5.8443344007205,6.452423161520404,9.050497899566409,11.43358697024848,14.96612012536941,20.210792198832642,24.920686410758766,10.714544086402405,0.45280555555555574,0.5862900993911171,0.6568749004186234,0.8257474577711412,1.0691486475212377,1.282730661407498,1.5031511801140205,1.6704152378607489,1.7542527232356349,1.0971693144476065,454.65757201282196,287.6528003110949,14.510204268639864,179.68776878058296,-113.68487638413198,-19.375430003496266,274.969803232239,401.3376766952269,33.88563427213613,0.7167351011740083,0.45346403892761983,0.022874297855630627,0.2832648988259915,-0.17921606587657923,-0.030543977794906668,288.40991246277565,182.47121364351878,9.204480471772275,113.98409892352547,-72.11547165294833,-12.290713748586604,0.20480090129707224,0.47334972654718827,4.553583499564126,17.888574130766663,596.5538873975122,37.791453395892795,0.9404244802229881,0.0595755197770118,630.5403057234697,25.110561636958057,8.575068888422967,804.9069551956472,28.370882171614742,9.302119050004729,1032.5586637850051,32.13345085397778,10.107371880998954,2.8396975292184874,2.8396975292184874,1617.4283832365272,1558.4677749265647,85.677703821166,1.037832420572662,18.878054745871403,18.189887280120566,5.150309523292694,5.695287447724362,11.314106879182773,0.986573457974188,5.033424997945555,7.675290027007932,2.844538532445787,28.87804868443142,10.759890089384653,0.16145854288107808,5.49697998816998,9.987332537372248,19.23588977063195,0.7157545240726424,3.0956059696938456,12.760460781043722,4.256785815888943,9.479459365290376,1.4871910974066365,1.0173152785747153,3.12242450815033,4.099338174787267,1.3396983888994156,3.1301164901371243,0.13015937281592266,0.06316243844762706,7.407528257290605E-21,1.6762991105211455E-61,7.316537741432228E-124,6.159360515354154E-208,1.0000956469E-313,0.0,0.0,0.0,0.4389142456209536,7.674981619403061,0.19720257733854737,7.389825317328816,0.16531776733129602,0.003074987393799887,0.8760628081900608,0.38330900221561987,6.337866865183407,0.026987693689246684,0.025975771429972747,1.786323782125385,0.15376267989438164,3.629483604841444,0.07357751990148857,0.061176127792932605,0.1971533505970583,0.15014885984773885,0.9894788222445433,0.07294769638664537,9.175382323308517E-4,4.44858218481432E-4,5.217182719475844E-23,1.1806311698475308E-63,5.153097355170241E-126,4.33808797315086E-210,7.0437554E-316,0.0,0.0,0.0,1.3694907650636545,7.674885018572982,0.6639480869163118,8.704556453693575,0.9121776953054541,0.01632153573647241,1.7892963683488272,1.4706239629860764,7.409271070745617,0.10891732830392317,0.23279627047635618,3.2156898571699166,0.6300549828004772,4.205594713384942,0.27127550902960496,0.19688757796418674,0.48550009130125393,0.49832161301030486,1.0609660909710943,0.36051000027470814,0.009555055773134797,0.004635765624065818,5.436706640595834E-22,1.230308706122789E-62,5.369924749981837E-125,4.520622136363994E-209,7.340136217E-315,0.0,0.0,0.0,4.756253446105093,7.675314719794972,2.6564227057786423,27.050748420406883,9.860153420531073,0.145551334451951,5.228628552426852,9.244687841606586,19.000750229304405,0.6528359127313283,2.7591894770117937,12.166580692271264,3.878714791331297,9.532380382359346,1.3685107263329306,0.9377595781447238,2.8904684382751085,3.9605399966750827,1.3182581940049383,2.8239265050263715,0.11597021911250693,0.05627659550919305,6.599974315496403E-21,1.4935523281521236E-61,6.518903404018205E-124,5.487879328871968E-208,8.9106721616E-314,0.0,0.0,0.0,2.0108019880591694,7.674871233095307,1.0062172127307454,10.45523992865446,1.7819244727040744,0.03094412067019697,2.4264042081787505,2.4371795013689908,8.481604839415755,0.18257752284243275,0.499406443406264,4.455812768528028,1.0640404828241794,4.72335845213336,0.4339644280731929,0.3077029801793084,0.7693700750850221,0.8061220348965128,1.1100398631799147,0.6578177187960992,0.02075285210909258,0.010069502397198045,1.1809253312148255E-21,2.6723949117021095E-62,1.1664194121895818E-124,9.81939535567372E-209,1.59437567E-314,0.0,0.0,0.0,6.078612651217606,7.675503061879271,3.570624993977029,38.73562379915472,15.648641548177189,0.2301586281559862,6.563052254592858,13.698204358325496,24.33150604622496,0.9722770672249194,4.509810803016211,16.164589124805023,5.805277022792217,11.522978996509458,1.9631036046239905,1.3357908239627767,4.284875195522222,5.846489434937283,1.4190817847744799,4.398952427103693,0.18982255395107048,0.09211648037055263,1.080318379210167E-20,2.444724711468088E-61,1.0670482676154023E-123,8.982848445254946E-208,1.4585455105E-313,0.0,0.0,0.0,3.2086513355416684,7.2691895610206725,1.5672925567647715,18.78780237458722,5.746999390654103,0.06835460498136818,3.643696516534482,5.4205580736373165,18.69829218495515,0.3233088088979381,1.1700236328126368,9.89330547758425,1.9112502987505762,10.767488233478796,0.7145378596557094,0.5354354973359761,2.0143708900291295,3.3830381858209253,1.729938899727922,1.4279565207188896,0.04901545045019753,0.023783790097272793,2.789301704320688E-21,6.312097373811545E-62,2.7550392631736026E-124,2.319304656866311E-208,3.7658560255E-314,0.0,0.0,0.0,11.95529106468099,0.801278396807813,0.4733867250000001,0.9036531108765444,0.06056546110304771,0.5425361480337444,0.5545094908193784,0.5714119349847779,13.229956186488803,15.618307097287556,33.383079206760314,0.8554796663148166,1.6684575738379008,11.116327716693226,0.5378403599320651,0.09393053336145436,0.9462235622744545,0.04578105596380178,0.4723856833573965,0.2261678933759749,0.022497317315434317,11.748098609986746,7.073491923590525,19.383183317590184,0.9193353434116817,0.7210508940488057,11.310826091168444,0.579313796200903,0.2461007395851689,0.9319876260567188,0.047734204850408996,0.48583856496350364,0.2906092167722099,0.1544340265240125,12.136240626954516,9.478689821095724,23.22750987581176,0.8979814390850783,0.9308818082597261,11.955835574171962,0.8180318975150294,0.45794032514395416,0.9035678085526165,0.06182313936807262,0.5425945297685068,0.5805359304104746,0.5347304720992534,13.231807796830944,15.6299238844477,33.34050477236957,0.8553517128289247,1.6578609322782347,11.452621530039092,0.6089581851099917,0.3175303486141548,0.9251570970003563,0.04919240413675335,0.49786168528396346,0.3211699508864116,0.2570914522749384,12.379110063763237,10.804085233472929,25.39770517344311,0.8877356455005344,1.0761230884453135,12.047879068438315,0.8378349179994888,0.501052629041157,0.8999842467192559,0.06258680247930148,0.5509732862885426,0.6061716302222131,0.6401530921489533,13.38676661547896,16.550554641349844,34.99501352086826,0.8499763700788838,1.797298008659709,12.008686234270158,0.824377131440698,0.45800592888086605,0.9035154334163784,0.062024891539475,0.5474187592858573,0.5897598476129425,0.5348836921939111,13.291069294591722,15.777305417378445,33.602489736092906,0.8552731501245676,1.6720622990927108 +UMLCN0207,L,4-methyl-2-pentanone,CC(C)CC(=O)C,Ketones,,C6H12O,Marquardt (2015),IQT,PubChem,,12.6,0,0.35380000000000034,0.12517444000000025,29.5874,19.363515999999994,0,0,19,7,12,0,6,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1133.7454949999988,1058.76965,1309.5226309999987,980.0757599999997,837.4878200000004,245.09520000000003,18.289152,0.0,0.0,3130.4971206315004,3797.153407268694,4869.666819135889,4756.223876049996,3521.1337016160774,1962.1724134918156,559.5073997567447,0.0,0.0,139.21638,133.14804800000002,238.8371000000002,290.34688800000004,297.1948160000001,162.39398400000007,120.93235199999997,0.0,0.0,22.711958858187984,28.646371720000005,38.88601800849003,40.434757988792036,31.931239516922968,17.904978350546997,8.003032287282004,0.0,0.0,3165.2292466334884,2624.7856814198008,5239.795720928891,6307.6850460435435,7269.461727489875,3503.3291888044473,3328.517736436482,0.0,0.0,79.80555555555556,47.166666666666664,74.2222222222222,100.83333333333333,85.99999999999999,69.0,18.0,0.0,0.0,59.67081552631572,58.82053611111111,39.68250396969693,25.130147692307684,19.9401861904762,11.671200000000002,1.016064,0.0,0.0,164.76300634902634,210.952967070483,147.56566118593605,121.95445836025631,83.8365167051447,93.43678159484837,31.08374443093026,0.0,0.0,7.327177894736842,7.397113777777779,7.237487878787885,7.4447920000000005,7.07606704761905,7.7330468571428606,6.718463999999998,0.0,0.0,1.1953662556941045,1.5914650955555558,1.1783641820754556,1.036788666379283,0.7602676075457849,0.8526180166927142,0.4446129048490002,0.0,0.0,166.5910129807099,145.8214267455445,158.78168851299668,161.7355140011165,173.08242208309224,166.82519946687844,184.917652024249,0.0,0.0,4.200292397660819,2.6203703703703702,2.2491582491582487,2.585470085470085,2.0476190476190474,3.2857142857142856,1.0,0.0,0.0,0.12547034405963522,-0.04379283244042985,0.013412093060483805,-0.058230478870813285,0.0643548021306261,-0.05144309731639716,0.0129643414067127,0.0,0.0,605.7336044210524,-45.41908671468103,93.72540758448777,-506.8584002326868,393.17112691135674,-564.6998260969527,327.2139763379495,0.0,0.0,916.6964703541342,-95.75164028834632,10.667485456308135,-682.2312296923013,472.42955768465464,-653.7400329510658,490.27762461368445,0.0,0.0,1.062550736842105,-0.002447645429362445,0.13349440443213265,-0.4720559335180039,0.24283584487534446,-0.6297655512465352,0.19666351246537192,0.0,0.0,4.06328756333242,-0.46143304499239596,-0.420527699117045,-2.4396195192457064,1.3601974956448042,-1.9588769831658877,1.88861596921002,0.0,0.0,22.472433534563987,-2.5626054625959807,-3.059085009313989,-12.351295492199977,6.135287903774975,-9.184291683284986,9.785772976337975,0.0,0.0,34.00292397660817,-1.5641735918744222,5.497845490920284,-16.567405355494003,10.247922437673136,-20.11288088642659,5.497229916897506,0.0,0.0,0.00660370231892817,-0.002432935135579436,4.0642706243890317E-4,-0.0014930892018157253,0.0015322571935863355,-0.002449671300780817,7.202411892618167E-4,0.0,0.0,31.88071602216065,-2.5232825952600573,2.840163866196599,-12.996369236735559,9.361217307413256,-26.890467909378703,18.178554240997194,0.0,0.0,48.24718265021759,-5.319535571574796,0.3232571350396405,-17.493108453648752,11.248322802015586,-31.130477759574564,27.23764581187136,0.0,0.0,0.05592372299168974,-1.3598030163124695E-4,0.004045284982791899,-0.012103998295333433,0.005781805830365344,-0.029988835773644536,0.010925750692520662,0.0,0.0,0.2138572401753905,-0.02563516916624422,-0.012743263609607425,-0.0625543466473258,0.032385654658209626,-0.09327985634123274,0.10492310940055666,0.0,0.0,1.182759659713894,-0.14236697014422114,-0.09269954573678756,-0.31669988441538405,0.1460782834232137,-0.43734722301357076,0.5436540542409987,0.0,0.0,1.7896275777162196,-0.08689853288191235,0.16660137851273588,-0.42480526552548725,0.2439981532779318,-0.9577562326869805,0.30540166204986147,0.0,0.0,-0.3684198678377616,0.06154533363412864,-0.22609880483802075,0.2320300218855159,-0.3709542287754753,0.10906627138497624,0.0,0.0,-0.07914761367047386,0.08908720444742735,-0.4076561275380902,0.29363259284722987,-0.8434712661624925,0.5702053312843122,0.0,0.0,-0.11025587981251389,0.006700020960460841,-0.3625726414010593,0.23313947435156315,-0.6452289242516872,0.5645437581161752,0.0,0.0,-0.002431531635536025,0.0723357596094421,-0.2164376341169576,0.1033873555096559,-0.5362453386392189,0.1953688007170808,0.0,0.0,-0.1198704759549879,-0.059587711873380134,-0.292505161836107,0.15143585801279963,-0.43617815447693625,0.49062219878319846,0.0,0.0,-0.1203684695998672,-0.0783756403724585,-0.26776351544826343,0.12350631188972878,-0.36976846430437416,0.4596487965885706,0.0,0.0,-0.04855676899704761,0.09309276443165863,-0.2373707640712544,0.136340184022702,-0.5351706939547685,0.17065095880987194,0.0,0.0,1.0967444963867117,0.6961261845991901,1.4555902701650014,0.5357393879635458,2.330603394851727,0.004149380581984261,0.0,0.0,1.2123285230342717,0.8864672902245689,1.448849684432141,0.5190395043151204,1.981898530184948,0.0,0.0,0.0,1.4923029183126255,1.092143786124512,1.3605261885125914,0.561866633081811,1.4970896469922177,0.0,0.0,0.0,0.5218837847198282,0.5206298552930572,1.5171263229261107,0.6078228069823866,2.8442296268092235,0.0,0.0,0.0,1.5788342835948983,1.1819562551781566,1.3054697840669032,0.611189036360053,1.2853888270800609,0.0,0.0,0.0,1.583316226398812,1.1964789052881406,1.2921778777446882,0.6273160150007825,1.2511568661065255,0.0,0.0,0.0,0.575113939289707,0.4930502896364107,1.5437963446820622,0.5671781138287288,2.873702443398893,0.0,0.0,0.0,25.963142852145932,13.10657142607297,20.332933796211666,26.141714280717366,3.7345306115310524,13.106577584184917,0.2500000000000071,0.06801300453259579,0.00971614350465654,-1.8816394442749802,30.583686883024694,4.369098126146385,2.3943267308853504,25.96489984369562,13.107082711397162,20.333642400752947,26.142946685908978,3.7347066694155684,13.107088865145862,0.24926557909870617,0.06798831125738186,0.009712615893911694,-1.881893637298618,30.589859869704135,4.369979981386305,2.394468004063698,27.529989003550444,13.565497262746206,20.9960363950403,27.244992947794707,3.8921418496849585,13.565500715841056,-0.39899447805803234,0.043721061430172514,0.006245865918596073,-2.1909477366417955,42.437818069093886,6.062545438441984,2.6236279302040972,25.96674385946472,13.107619329841834,20.33438617940836,26.144240145335395,3.7348914493336283,13.10762547901563,0.2484948002189462,0.06796238936574955,0.009708912766535651,-1.8821605770683925,30.596346349356875,4.3709066213366965,2.3946164210372123,29.20510565306803,14.061405694364444,21.789528217631496,28.43203832139721,4.061719760199602,14.06140768874182,-1.0822942643391418,0.011852043053310446,0.001693149007615778,-3.104678511689828,44.57674377486844,6.368106253552634,2.6580485981024635,26.147248217499243,13.160191201688775,20.40757667448868,26.27091549312661,3.752987927589515,13.160196924185744,0.17313418587830753,0.06539710828849704,0.009342444041213862,-1.909094066088123,31.272219293467902,4.467459899066843,2.4099110986441903,31.410616569420455,15.757688209481381,25.20461995101112,31.665973712277605,4.523710530325372,15.757688688019684,0.5958333333333474,0.12474118970528653,0.017820169957898074,-1.4570599193145737,21.30881146791206,3.0441159239874374,2.1413844697779125,0,11.89,15.99491613786915,-0.29948796727814697,0.19128483469986524,4.115246848534649,7.408132304241785,6.0,18.0,17.0,17.0,5.0,1.0,1.0,0.0,0.0,1.0,14.076483999999997,3.5583193518082905,3.1234407795188557,2.333552793103048,2.229348517789102,1.896666420142734,1.013391021933728,0.08392307051869145,0.08392307051869137,1.8741201279622643,1.5562804989192869,1.2496297225843553,1.1098191658276422,0.4121682798086746,0.20105676315906176,0.0839230705186907,0.08392307051869093,3.533611473319833,3.0931197525795495,2.405454587841289,2.2885117694878754,1.7294167188777156,1.1159940527375145,0.2709139018929385,0.2709139018929376,1.8335920291896743,1.5125874953202127,1.1345406859483518,1.0023921291715232,0.40618607629361364,0.20744132503886273,0.27091390189293685,0.2709139018929369,3.6672274931227955,3.284656791195101,2.7042369872335206,2.5851305253688577,2.1454382269775185,1.5980554789935386,0.9439184268026231,0.9439184268026226,1.6550831629369223,1.2609108227866939,0.760318560430898,0.6315523813408066,0.036015662199791326,0.3373586786460115,0.9439184268026215,0.943918426802622,3.5402489053988697,3.0990260403232868,2.457539916041691,2.336772788229394,1.693370082280723,1.1929378907643169,0.39927724550898236,0.39927724550898225,1.8113912634297087,1.4856819142180004,1.0582626705327116,0.9316171526042231,0.44327364769842914,0.11304322605222124,0.3992772455089817,0.3992772455089819,3.707514721383794,3.3408059602126903,2.838982085149649,2.713698371471897,2.190780519060788,1.7953213210802632,1.2076448229620889,1.2076448229620886,1.6120392944211899,1.203442543470373,0.6313372621875617,0.5073293855455397,0.08916625594251598,0.5254894393287137,1.207644822962087,1.2076448229620875,4.737007631850646,3.3978843317873704,2.8128419761520043,2.6126008182063596,2.360692295645938,1.2989143434953478,0.5714285714285722,0.5714285714285718,1.7599007247327219,1.2689354059789746,0.8983151039206443,0.82081207465491,0.04609433323491646,0.4312591025273536,0.5714285714285708,0.5714285714285712,0,0,0,1,0,3,1,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8164965809277261,0.0,0.0,0.0,0.5525858577612696,0.0,0.0,0.0,0.47140452079103173,0.9428090415820635,0.23570226039551587,0.2874574785652649,0.45412414523193156,0.08333333333333333,5.8618073195657985,3.1258976576862296,3.02339596063022,0.9428090415820635,0.9428090415820635,0.0,0.0,0.0,0.8374010456522569,0.520982942947705,0.43191370866146,0.23570226039551587,0.23570226039551587,0.0,0.0,0.0,5.192705340840036,2.62062636466832,2.299986098471895,0.695705769029128,0.5749149571305298,0.0,0.0,0.0,0.7418150486914338,0.43677106077805333,0.3285694426388422,0.173926442257282,0.14372873928263244,0.0,0.0,0.0,9.965765927132102,18.657683903860157,17.70196078431373,17.960000000000004,11.271566467065865,146.324051497006,0.5245139961648475,0.9819833633610608,0.9316821465428279,0.945263157894737,0.5932403403718877,7.701265868263474,1.6215,30.13599999999998,14.1759710650469,21.640072680184655,28.3519421300938,4.050277447156257,14.175972910950268,0.0,0.0,0.0,2000010.5285921034,285715.7897988719,10.15606410196449,38,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.254166666666666,0.2870370370370372,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2385416666666669,0.8027777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.711111111111111,0.0,0.7222222222222221,0.0,0.0,0.0,0.5254629629629629,0.0,0.0,0.2870370370370372,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.254166666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.254166666666666,0.2870370370370372,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.265625,0.4013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.625,0.0,0.7222222222222221,0.0,0.0,0.0,0.5254629629629629,0.0,0.0,0.2870370370370372,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.254166666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.254166666666666,0.2870370370370372,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4013888888888889,0.4013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0430555555555556,0.0,0.7222222222222221,0.0,0.0,0.0,0.5254629629629629,0.0,0.0,0.2870370370370372,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.254166666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.5,2.5,0.5440972222222222,10.254166666666666,0.265625,0.2870370370370372,2.998160648148148,1.3796296296296295,3.2541666666666664,6.680555555555555,1.3796296296296295,3.2541666666666664,6.680555555555555,3.33333,0.47619,0.0,0.02381,0.48772,0.80952,0.42174,0.48772,0.80952,0.06598,0.0,-0.06598,0.0,0.58823,0.12606,0.0,0.55,0.3,0.0,4.75,0.67857,3.25,0.46429,1.5,0.21429,-1.75,-0.25,0.0,0.0,5.60639,0.80091,7.47656,1.87016,0.26717,2.3835,0.3405,3.12588,0.74238,0.10605,0.28812,0.04116,0.28812,0.04116,0.0,6.01,1,1,1,1,0,0,0.8333333333333334,1.1674367232867007,1.8784775129881186,2.9708400131019856,2.970840013101986,2.7472648808154814,1.9582275095641997,22.181297742447313,35.69107274677425,56.44596024893773,56.44596024893774,52.198032735494145,37.2063226817198,0.27482501045323093,0.4422103501161981,0.6993622192704678,0.6993622192704679,0.6467306403230995,0.4609842101511665,3.0804907901568845,2.3694500004554664,1.2770875003415996,1.2770875003415991,1.5006626326281038,2.2897000038793855,0.27482501045323093,0.4422103501161981,0.6993622192704678,0.6993622192704679,0.6467306403230995,0.4609842101511665,10.299818506707174,18.832307983124185,19.933218254757044,19.933218254757044,17.25031666731899,11.539951108214467,25.718464457243332,16.281626451835294,16.57668441539832,16.576684415398315,15.235233621679289,11.868557820884693,7.0,3.061224489795918,6.0,7,1,5,2.0100000000000002,0.9697000000000001,0.944940787421155,1.5000000000000004,3.4641016151377553,0.0,0.0,2.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.437,0.42300000000000004,0.559,0.16399999999999998,3.16,7.0,4.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,28.0,2.0794415416798357,2.302585092994046,1.791759469228055,1.9459101490553132,0.0,0.0,0.0,0.0,0.0,0.0,3.5553480614894135,1.2142857142857142,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.3333333333333333,5.0,0.8333333333333334,0,2.0,4.0,1.0,2.5,0.44444444444444464,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4166666666666667,0.06349206349206352,0.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6051587301587302,14.1759710650469,21.640072680184655,28.3519421300938,4.050277447156257,14.175972910950268,0.0,0.0,0.0,2000010.5285921034,285715.7897988719,10.15606410196449,17.07,118.48613445576117,3.807354922057604,3.295836866004329,3.8918202981106265,4.653960350157523,5.262690188904886,6.0330862217988015,6.645090969505644,7.417580402414544,8.030409562130485,8.803424211600703,67.03389907062754,2.5649493574615367,0.0,3.713572066704308,0.0,4.976733742420574,0.0,6.300785794663244,0.0,7.655864017616056,7.958576903813898,100.088815004,5.267832368631579,12.5091624342836,1.787023204897657,2.353722018894524,2.353722018894524,0.0,48.0,4.0,1.5150000000000001,26.0,1.2306111111111109,2.121036159795036,2.9295524350050393,3.507444006241027,4.615717237562524,5.388940886250932,0.0,0.0,0.0,0.0,82.68712511483331,95.45405843307194,78.80940753741986,77.95564844103419,52.99078060010155,5.475508832647667,0.0,0.0,0.0,0.0,283.96345668468905,340.8787932438718,373.44214943756197,322.2767485132145,439.4380452063148,167.5084612616148,0.0,0.0,0.0,0.0,9.132995541999998,15.455764995367815,21.838007568471433,24.8336686327601,35.14336204311861,36.20540534240499,0.0,0.0,0.0,0.0,2.091655823575555,2.657436262781778,3.1384603907710766,2.8601517496029363,4.075136546657857,2.395992661495571,0.0,0.0,0.0,0.0,177.35179264631347,332.4642361534506,471.3368965085701,600.6746053001186,762.3096693615857,996.5102955829976,0.0,0.0,0.0,0.0,3.2734166666666664,5.070039659597148,7.632776412684,7.2237605408951815,13.997927610811855,5.388940886250932,0.0,0.0,0.0,0.0,0.4473870833333334,0.5893695194919187,0.7167566912624833,0.6585977771111994,0.9796698768656453,0.5518275467520953,0.0,0.0,0.0,0.0,355.83438995440935,167.26997357837053,11.24322526372314,140.0132905630213,-65.8171893281533,-14.851145392586881,215.82109939138806,233.08716290652382,26.09437065631002,0.7176284248886402,0.33734144607436656,0.02267475619123705,0.28237157511136,-0.13273670910282626,-0.029951023219649445,176.43965690722877,82.94042841904692,5.574927168552096,69.42526536728715,-32.6353006665414,-7.363905995941331,0.2761793628514631,0.6370607153440193,4.577241911403517,19.957042477547397,464.5209293980018,31.326751119428845,0.936821825834219,0.06317817416578117,444.29559828502016,21.078320575534953,7.630576256972908,560.5400312664717,23.675726625944804,8.245219299477549,743.2474782723497,27.262565511564564,9.058253729097716,1.4660715491298242,1.4660715491298242,367.09433660163654,306.99405358749294,100.70312943244261,1.1957701861381986,3.6453121037107823,3.048505595781331,3.7562304339189474,3.2855166021933666,6.459306918479723,0.9659943018299092,3.3600216773291955,4.829722796622666,2.1017259454708745,12.879198413379191,3.042241377588707,2.2145081171868264,3.802837145959376,7.969001902534907,3.4986710880488125,2.6732503472238993,1.0033914436825786,1.6949362536994315,4.0213899324866965E-13,1.8404399219465452E-47,1.62458720212069E-103,2.765924580350408E-181,9.082670592424243E-281,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2984771007350258,4.829555904522936,0.1298489442963927,5.551998594198647,0.3291129942409699,0.09008374081701155,0.3722057808527894,0.4474455124404348,0.9738785299978021,0.024129653312331925,0.007115375133545461,0.011937574621751304,2.83229781045986E-15,1.2962368854364659E-49,1.144210049937196E-105,1.9480632976020123E-183,6.396999162959546E-283,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9161425420319904,4.829449611111663,0.4498265489980102,6.183564630539643,0.5545721647474181,0.3534725111839919,0.7947552831234179,1.469626845968208,1.4241419861769988,0.20982262462181142,0.07376762235541288,0.12439873147706058,2.9514726898081865E-14,1.350778775013982E-48,1.1923550910931146E-104,2.030032152571021E-182,6.6661663390317806E-282,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1766972163023954,4.82976294300061,1.9518154447768785,12.777269474189694,3.0097058185451764,2.024819366709834,3.524945415881729,7.577750202584922,3.3211100877480857,2.385468487701302,0.894037042915605,1.510157687189378,3.5829860305812363E-13,1.6397988360160864E-47,1.4474779487648565E-103,2.464389004651582E-181,8.092495977604313E-281,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3426501195755067,4.829423472959045,0.6939844203049933,6.794772901150769,0.7435324217510235,0.5846806532617583,1.1672522712962918,2.2601113782812403,1.752554452630609,0.44271643746802325,0.16011401421652327,0.2702106677511513,6.410993077605628E-14,2.934071999342824E-48,2.5899545882440728E-104,4.4095011017349E-182,1.4479804065704507E-281,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.057735794348517,4.8298709041391525,2.6899272156046377,15.745529183674295,4.283438224655259,2.9875876184639947,5.024435038868765,10.616664510093536,4.182389048833692,3.881391618677222,1.4631942296005325,2.4719052332455886,5.864819279980879E-13,2.684108658720404E-47,2.3693077530325105E-103,4.033841054498577E-181,1.3246221455382646E-280,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0842300237738316,4.161406127911487,0.9465874816822031,12.008175434131129,2.6410267978677466,1.038014320083848,1.8888194026902707,4.831243806173312,2.640229699839049,0.8954159945529959,0.3278436210176452,0.553448572636549,1.3131069167303498E-13,6.009599745131576E-48,5.304774537536946E-104,9.031590466450312E-182,2.9657699893630174E-281,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.924806067711197,1.2326960330031635,0.529937156392345,0.6900831622609384,0.21674007884354204,0.522499440669666,0.49091830616990495,0.47675005630478484,5.687439257106705,7.5712448673144515,15.822569302297437,0.5351247433914075,1.490167803144356,2.930015441697628,0.8404317959945095,0.21644886419820053,0.7349114114883498,0.2107985195791857,0.29628617654428324,0.20332109874037463,0.06347394800680563,3.9868961018903377,3.278587162075289,7.798483860472343,0.6023671172325247,0.5630812232914635,3.361835514742401,0.9455083535151334,0.33119123864442856,0.7247623306203111,0.20383770559551292,0.3825987522102076,0.28114080578960476,0.18009201135369932,4.638535106901963,4.605198113328486,10.296472118848584,0.5871434959304667,0.8438315693535118,3.8585190661691247,1.2308323018368632,0.5263338107807883,0.687096755484916,0.21917758254795447,0.5043307860041334,0.48397992310361737,0.46497108490341005,5.6156851787867765,7.427887603819378,15.543232002844523,0.530645133227374,1.4532817940111609,3.570405546869466,1.0110551440214817,0.3801787038264746,0.7196019828992046,0.2037744107518043,0.4320819184789112,0.32931125531576433,0.24442564498051625,4.961639394717422,5.351650681500071,11.685688394905604,0.5794029743488069,1.0058188187751917,3.9852980752293883,1.2731708968906328,0.5571994718043801,0.6852691334893427,0.2189208186757462,0.538747757449599,0.5235438538506036,0.5271338649760184,5.815668443924401,8.00398165858131,16.646861012886994,0.527903700234014,1.589425476276221,3.8657121357137765,1.2347449495683565,0.5269533692010925,0.6869433404549431,0.21941618788170394,0.5061665242638738,0.48654825357612774,0.46527780878431485,5.6274104544832255,7.460871581612694,15.603519277936165,0.5304150106824147,1.4579925866243164 +UMLCN0208,L,3-pentanone,CCC(=O)CC,Ketones,,C5H10O,NREL (2014),IQT,PubChem,,14.6,0,-0.09160000000000025,0.008390560000000045,26.2418,16.269930000000002,0,0,16,6,10,0,5,0,1,0,0,0.0,0.0,0.0,0.0,0.0,987.4492460000001,890.2913529999998,994.7480850000001,870.627836,366.161209,84.835296,9.144576,0.0,0.0,2644.8127300203096,3144.1632727783267,3730.9922940343376,3300.9184270285214,2187.2998269310383,1061.4246313942745,279.75369987837234,0.0,0.0,118.23893599999997,111.372268,196.08387600000015,224.8313600000002,162.41770000000008,123.32735999999997,60.46617599999999,0.0,0.0,19.033833048489992,23.63038310000001,30.191903578792,26.866349902187977,18.911402635395994,12.016620718188005,4.001516143641,0.0,0.0,2668.5995864949905,2191.7462299040003,4310.126609274593,5051.249777214589,3508.796101492896,3137.747110568388,1664.258868218241,0.0,0.0,74.27777777777777,40.66666666666667,61.583333333333336,90.0,67.0,24.0,9.0,0.0,0.0,61.71557787500001,59.35275686666666,36.84252166666667,29.020927866666668,17.436248047619046,4.713072,1.016064,0.0,0.0,165.30079562626935,209.61088485188844,138.18489977904954,110.03061423428404,104.15713461576372,58.96803507745969,31.08374443093026,0.0,0.0,7.389933499999998,7.424817866666667,7.2623657777777835,7.494378666666673,7.7341761904761945,6.851519999999998,6.718463999999999,0.0,0.0,1.1896145655306245,1.575358873333334,1.1182186510663703,0.8955449967395992,0.9005429826379044,0.6675900398993336,0.444612904849,0.0,0.0,166.7874741559369,146.11641532693335,159.63431886202196,168.37499257381964,167.08552864251885,174.319283920466,184.917652024249,0.0,0.0,4.642361111111111,2.7111111111111112,2.2808641975308643,3.0,3.1904761904761907,1.3333333333333333,1.0,0.0,0.0,0.12181459494539547,-0.04685184037953951,-0.001148209510326249,0.02228621210682244,-0.04155533335893483,0.0014118202379507848,0.004950053431329597,0.0,0.0,523.75762375,-43.92541314062477,19.663427546875084,-17.482342031250028,-448.16645004687484,55.73680828124978,172.2951575156248,0.0,0.0,766.4429153884305,-94.95499334786483,-135.8422519259707,3.347559966347106,-429.2166300407083,24.459063430960924,248.98579422302026,0.0,0.0,1.0366599999999992,-0.0015602499999995524,0.12109674999999938,-0.24388649999999815,-0.6421587499999968,0.13018649999999737,0.11799224999999827,0.0,0.0,3.391946473183749,-0.46410752345664164,-1.1035349162974541,-0.03520895477653112,-0.953855383749547,-0.0721478930112182,0.9328814346995163,0.0,0.0,18.82152525496499,-2.587911668251534,-6.817934047878288,-0.398101338947634,-3.7399464444061836,-0.6556693527213886,4.788800224722542,0.0,0.0,33.10416666666667,-0.9414062499999999,1.1263020833333337,-4.4453124999999964,-18.52213541666667,2.945312500000001,3.285156250000001,0.0,0.0,0.007613412184087217,-0.003123456025302634,-4.252627816023145E-5,7.428737368940814E-4,-0.0019788253980445158,7.843445766393248E-5,5.500059368143997E-4,0.0,0.0,32.734851484375,-2.9283608760416513,0.7282750943287069,-0.582744734375001,-21.34125952604166,3.096489348958321,19.143906390624977,0.0,0.0,47.902682211776906,-6.330332889857655,-5.031194515776692,0.1115853322115702,-20.438887144795633,1.3588368572756069,27.665088247002252,0.0,0.0,0.06479124999999995,-1.0401666666663683E-4,0.004485064814814792,-0.008129549999999939,-0.03057898809523794,0.007232583333333187,0.013110249999999808,0.0,0.0,0.2119966545739843,-0.030940501563776108,-0.040871663566572375,-0.0011736318258843705,-0.04542168494045462,-0.004008216278401011,0.1036534927443907,0.0,0.0,1.1763453284353118,-0.17252744455010227,-0.252516075847344,-0.0132700446315878,-0.1780926878288659,-0.03642607515118826,0.5320889138580602,0.0,0.0,2.069010416666667,-0.06276041666666667,0.04171489197530866,-0.1481770833333332,-0.8820064484126986,0.16362847222222227,0.3650173611111112,0.0,0.0,-0.4102570502922415,-0.00558570548027277,0.0975743489163454,-0.2599130784197467,0.010302142556772146,0.07224171285037824,0.0,0.0,-0.08945697760197313,0.022247698135313892,-0.01780196664870029,-0.6519430685741242,0.09459304712093584,0.5848172673018769,0.0,0.0,-0.1321498629632338,-0.10502949487324886,0.0023294172071253428,-0.4266752131840066,0.028366613194397202,0.57752691435305,0.0,0.0,-0.0016054122534545467,0.06922331047502239,-0.12547296124090745,-0.47196169382807035,0.1116290136914042,0.20234599579418236,0.0,0.0,-0.14594806519919984,-0.19279390822796522,-0.005536086539869369,-0.214256611887255,-0.01890697891651017,0.48893928516318574,0.0,0.0,-0.1466639432993589,-0.21466151966040645,-0.011280739006494494,-0.1513949037955986,-0.030965460796821925,0.45232373606295173,0.0,0.0,-0.0303335431088735,0.020161760249865983,-0.07161736941472617,-0.4262938655638467,0.07908537864485002,0.17642122928466544,0.0,0.0,1.1122941855027721,0.7539073973062124,1.3223301108841399,1.9392873257823608,0.14250835123538655,0.0,0.0,0.0,1.170927332014802,0.9157821691331093,1.02212770034166,1.7449732880516242,0.5778722996583399,0.0,0.0,0.0,1.4911239722242553,1.167254118056737,0.8656745567113473,1.2823421213603858,0.7343254432886528,0.0,0.0,0.0,0.5120405919009129,0.5308051284359818,1.542806706152452,2.4130462942802584,0.057193293847548836,0.0,0.0,0.0,1.5946104889939967,1.2772728408298246,0.8582251129214098,1.0712273622679953,0.741774887078591,0.0,0.0,0.0,1.5999795747452021,1.2936539794475066,0.8738483445959215,1.0374032761232475,0.7261516554040779,0.0,0.0,0.0,0.5437382001258653,0.5705894692678832,1.4965387035871613,2.3896430819023644,0.07551919446192572,0.0,0.0,0.0,19.299323736047505,9.774661868023752,15.010729845523542,19.46599040271417,3.244331733785695,9.7748209312751,0.24999999999999822,3.3306690738754696E-16,5.551115123125783E-17,-21.3829129686054,3000004.2294850536,500000.7049141756,8.948474553875846,19.300960982105323,9.775113280602012,15.011181258101802,19.467138034837795,3.2445230058062986,9.775272238217454,0.24926557909869906,1.1102230246251565E-16,1.850371707708594E-17,-22.042080341806265,3000004.2294850536,500000.7049141756,8.948474553875846,20.760228695193305,10.18061710856764,15.416685086067433,20.494232376487957,3.415705396081326,10.180710303739822,-0.398994478058027,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,3000004.2294850536,500000.7049141756,8.948474553875846,19.302679324839424,9.775587062529183,15.011655040028973,19.46834252498539,3.2447237541642315,9.775745909383346,0.24849480021894088,1.1102230246251565E-16,1.850371707708594E-17,-22.042080341806265,3000004.2294850536,500000.7049141756,8.948474553875846,22.32264738117975,10.6201765584203,15.85624453592009,21.60111787162031,3.6001863119367186,10.620233308187705,-1.0822942643391507,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,3000004.2294850536,500000.7049141756,8.948474553875846,19.47089839142307,9.822016288650685,15.058084266150479,19.586321182008604,3.2643868636681006,9.822164800081216,0.1731341858783022,4.440892098500626E-16,7.401486830834377E-17,-21.21030372513433,3000004.2294850536,500000.7049141756,8.948474553875846,21.0021376751328,10.586485196610596,16.554415426264768,21.224783177778306,3.5374638629630506,10.5865666907179,0.6679365079365098,5.551115123125783E-16,9.251858538542972E-17,-21.076417594345802,3000004.1214942727,500000.68691571214,8.94847453227772,0,11.889999999999999,15.994915886916369,-0.299207371047701,0.13215716155946217,4.1152465864274825,6.388516330089587,5.0,15.0,14.0,14.0,4.0,1.0,1.0,0.0,0.0,1.0,11.890069999999998,3.5293641905685202,2.9025640775777077,2.4775739322874797,1.5980269148552002,1.536231436123473,0.08392307051869166,0.08392307051869152,0.08392307051869123,1.8169357796415273,1.5630263350622524,1.0409924661895373,0.76971851633327,0.185366198670013,0.08392307051869106,0.08392307051869113,0.0839230705186912,3.4807188493521677,2.9503089512514675,2.3958045653282456,1.6953097213902997,1.4541679528651146,0.27091390189293774,0.27091390189293735,0.27091390189293724,1.788991170272209,1.4734536838206156,0.9941956583724069,0.6303371850352765,0.2908776306981779,0.270913901892937,0.2709139018929371,0.27091390189293724,3.63011158685428,3.155598407702859,2.698537678287862,2.0901173443416914,1.9184908769970543,0.9439184268026227,0.9439184268026223,0.943918426802622,1.5965752167831249,1.1954927464150655,0.6376350928967787,0.16238615202424272,0.20556980337464315,0.9439184268026214,0.9439184268026215,0.9439184268026217,3.4795662247255095,2.985267979126102,2.397059764612478,1.7652768165580859,1.44867434095572,0.3992772455089826,0.3992772455089822,0.3992772455089821,1.7746934103676766,1.4151331810518286,0.9712684593268076,0.5368571236143959,0.3005444486231733,0.39927724550898175,0.39927724550898186,0.39927724550898186,3.6638327480337423,3.2522175179205752,2.766423374657477,2.262776160355087,2.014962604434958,1.2076448229620884,1.2076448229620877,1.2076448229620877,1.5581239154512123,1.1044071629954346,0.5590454489233657,0.004703130643948769,0.29662635636778145,1.207644822962086,1.2076448229620873,1.2076448229620875,4.765436336692267,3.1820881192728208,3.0701136645354965,2.092021706116941,1.8451317725989118,0.5769230769230775,0.5769230769230771,0.576923076923077,1.6403542596999379,1.3173169404768053,0.6775909263351901,0.42485157358067754,0.45147594703002514,0.5769230769230764,0.5769230769230766,0.5769230769230769,0,0,0,1,0,2,2,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.10206207261596577,0.0,0.0,0.0,0.5773502691896258,0.2886751345948129,0.0,0.20412414523193154,0.10206207261596577,0.0,4.99156383156272,2.808060412490447,1.9216682964502652,1.393846850117352,0.2886751345948129,0.0,0.0,0.0,0.8319273052604533,0.5616120824980894,0.38433365929005303,0.348461712529338,0.2886751345948129,0.0,0.0,0.0,4.322461852836958,2.325444488791574,1.2457819157813603,0.7886751345948129,0.25,0.0,0.0,0.0,0.7204103088061596,0.4650888977583148,0.24915638315627206,0.19716878364870322,0.25,0.0,0.0,0.0,8.423938123346227,15.769847050254914,14.9764705882353,15.200000000000006,9.473011976047902,123.29579640718565,0.5264961327091392,0.9856154406409321,0.9360294117647062,0.9500000000000004,0.5920632485029939,7.705987275449103,1.3755,25.588999999999988,10.742404729104726,15.978472706604519,21.484809458209455,3.580801576368242,10.742456782927917,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,3000004.2294850536,500000.7049141756,8.948474553875846,29,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.180555555555555,0.342592592592593,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4145833333333333,0.8027777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.761574074074074,0.0,1.3819444444444442,0.0,0.0,0.0,0.0,0.0,0.0,0.342592592592593,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.180555555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.180555555555555,0.342592592592593,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3059027777777778,0.4013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.880787037037037,0.0,0.6909722222222221,0.0,0.0,0.0,0.0,0.0,0.0,0.342592592592593,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.180555555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.180555555555555,0.342592592592593,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4013888888888889,0.4013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.880787037037037,0.0,0.6909722222222221,0.0,0.0,0.0,0.0,0.0,0.0,0.342592592592593,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.180555555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.666666666666668,2.611111111111111,0.5659722222222222,10.180555555555555,0.3059027777777778,0.342592592592593,2.2427916666666663,1.3240740740740737,3.180555555555556,6.361111111111111,1.3240740740740737,3.180555555555556,6.361111111111111,2.83333,0.47222,0.0,0.02778,0.49792,0.82778,0.42,0.49792,0.82778,0.07792,0.0,-0.07792,0.0,0.57047,0.14382,0.0,0.47059,0.17647,0.0,4.25,0.70833,2.75,0.45833,1.5,0.25,-1.25,-0.20833,0.0,0.0,4.0123,0.66872,5.73058,1.71827,0.28638,2.11989,0.35332,2.80805,0.68816,0.11469,0.10595,0.01766,0.10595,0.01766,0.0,5.01,1,1,1,1,0,0,0.8,1.198192411043098,1.6737949406953985,2.2806390622295662,2.2806390622295662,2.0306390622295662,1.4056390622295665,19.171078576689567,26.780719051126376,36.49022499567306,36.49022499567306,32.49022499567306,22.490224995673064,0.2995481027607745,0.4184487351738496,0.5701597655573916,0.5701597655573916,0.5076597655573916,0.3514097655573916,2.801807588956902,2.3262050593046015,1.7193609377704338,1.7193609377704338,1.9693609377704338,2.5943609377704338,0.2995481027607745,0.4184487351738496,0.5701597655573916,0.5701597655573916,0.5076597655573916,0.3514097655573916,10.71860944884017,16.425839804667774,17.03743250087196,17.03743250087196,14.037432500871962,5.538703845871962,21.96987351738496,16.737949406953984,17.683834373377397,17.683834373377397,16.183834373377397,9.683834373377397,6.0,3.2,3.0,6,1,5,1.8999999999999997,0.8288000000000004,0.25,2.3094010767585034,0.9999999999999998,0.0,0.4999999999999999,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.41900000000000004,0.403,0.5980000000000001,0.179,2.8890000000000002,5.0,4.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,21.0,1.9459101490553132,2.0794415416798357,1.9459101490553132,0.6931471805599453,0.0,0.0,0.0,0.0,0.0,0.0,3.295836866004329,1.2380952380952381,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.4,4.0,0.8,0,2.0,4.0,1.0,1.5,0.666666666666667,0.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3,0.1333333333333334,0.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.46458333333333335,10.742404729104726,15.978472706604519,21.484809458209455,3.580801576368242,10.742456782927917,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,3000004.2294850536,500000.7049141756,8.948474553875846,17.07,101.19014982989454,3.584962500721156,3.044522437723423,3.6635616461296463,4.31748811353631,4.962844630259907,5.6240175061873385,6.274762021241939,6.93828448401696,7.590346945602565,8.254528881939745,61.67035666663784,2.3978952727983707,0.0,3.4339872044851463,0.0,4.672828834461906,0.0,5.968707559985366,0.0,7.280008252884188,7.597396320212795,86.07316494,5.37957280875,10.675850796199953,1.7793084660333254,2.382088123313991,2.382088123313991,0.0,31.0,4.0,0.6910000000000001,20.0,1.2268,2.113225144807225,2.8810695611332866,3.6616510595252456,4.849506122845464,5.576750224837442,0.0,0.0,0.0,0.0,82.78024119306662,87.84321781078044,90.32024396247685,72.23614155153902,24.310595913864276,5.666335140449229,0.0,0.0,0.0,0.0,280.72815139462654,315.71001728230686,339.702547539585,417.6081892016156,296.9364430885874,173.34627874397987,0.0,0.0,0.0,0.0,9.137724337066667,15.455702884358677,21.671109941343232,27.914825277790886,33.278836792035214,37.46719562256226,0.0,0.0,0.0,0.0,2.0615706993533336,2.494368345539862,2.7213433875602075,3.606202846409757,3.325208515682095,2.4794951170822883,0.0,0.0,0.0,0.0,177.22491147331047,333.54214040793886,481.80395699136875,599.2999851783471,841.192688538102,1031.2395575026421,0.0,0.0,0.0,0.0,3.3873555555555557,5.102432217284139,8.738726104062577,10.816323986165933,6.597152446995644,5.576750224837442,0.0,0.0,0.0,0.0,0.4441360000000001,0.5641850690739615,0.6543232253645105,0.8471861120377022,0.7370655611824406,0.571059223023354,0.0,0.0,0.0,0.0,361.73577357940735,150.5273918307838,8.838467474605496,112.12281185184281,-46.65713392343452,-16.11898577756295,249.61296172756454,197.18452575421833,24.95745325216845,0.763383390532427,0.31766310975201933,0.018652120582687698,0.2366166094675733,-0.09846214748008146,-0.03401644767688097,171.4116019682169,71.32869696159072,4.188183694896673,53.13035701868843,-22.108883481235072,-7.638119799142418,0.31744557905019505,0.7189960879402292,1.916781191590726,28.564288223937652,434.1305692388835,39.72801619236658,0.9161606069536319,0.08383939304636813,382.2140291388703,19.550294860663108,7.257196368661024,479.0843899567468,21.887996481102302,7.82475365218047,600.3702575091897,24.502454111969882,8.436061225588471,1.8235762901858255,1.8235762901858255,286.2627527424731,242.32153754416552,57.34137836747863,1.1813343363682596,4.992254474734218,4.225945459336901,3.4011321772575265,3.1865855701068466,6.373000727818774,0.9999465219460862,2.802220570457073,3.8812207961750858,3.3890008675485683,3.431434814783674,5.00510963123534,1.4932725583425281,1.5241041517195157,6.853571643403176,3.7860686616294905,2.422102692520533,0.664724982774851,0.39862526225797545,1.689250652776843E-17,1.380701005966306E-55,2.176612364802549E-115,6.618178059296243E-197,3.881250807319438E-300,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25166471910638294,3.8810808099773446,0.30515998881035683,3.1865004848419978,0.24273208097712695,0.16684651736982917,0.2898502251550432,0.4313310259450423,0.2848823478379487,0.19832391771754337,0.004681716022765004,0.0028075503157911842,1.1897530469568733E-19,9.724390078432245E-58,1.5330058856635169E-117,4.661236920884007E-199,2.7335966787530057E-302,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7650264676881017,3.8809726399138316,0.6973100074265025,2.81279000037507,0.652547998297138,0.2890974333821227,0.43322717910074254,1.4871699165240162,0.5188382507298901,0.6434730911764313,0.048787062174947673,0.029256838923215588,1.2398144053711455E-18,1.0133564216142385E-56,1.5975103282364403E-116,4.857368254816764E-198,2.8486185006723904E-301,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.650178473034826,3.8812638687298953,3.7526443615284037,3.633910490739883,5.090024745309759,1.8752455501535104,1.4101388716499907,6.370168762641047,3.401668963737235,2.282861489010052,0.592257994738908,0.35516793200502017,1.505091919128309E-17,1.2301797388067889E-55,1.939322430305936E-115,5.896677500183234E-197,3.4581245930578996E-300,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1199328300809506,3.8809441400058287,0.8756248809667945,2.7009845872013294,0.9549468007052595,0.28635814438773205,0.5638848483186596,2.2877079560500353,0.8221746507009153,0.9516584785257967,0.10597200939236617,0.06354976363394632,2.693042560684075E-18,2.2011455591473905E-56,3.470005902847405E-116,1.0550852923201333E-197,6.187580034744242E-301,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.38411017539215,3.8813566171605047,4.65805530952642,3.734833750590757,7.19509105158382,2.180877781474628,1.9896724386761955,8.74585330109906,5.402417604839455,2.9411734880105893,0.9694389036779315,0.5813574815741255,2.4636133186417106E-17,2.0136226567496574E-55,3.1743845726109518E-115,9.651990712700042E-197,5.6604395364198364E-300,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7222436555557592,3.5457585755407606,5.049745747105479,5.3118226839378755,5.069256512044628,3.4771634033016645,0.7589598884003346,3.2764673698870386,1.5198196155759711,1.590931877308959,0.22124723626022155,0.13267852663911903,5.62250587092884E-18,4.595528496189626E-56,7.244641746754045E-116,2.2027959516888377E-197,1.2918364373474458E-300,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.234506067417209,0.8378338925689774,0.41550376875,0.7716156429972519,0.15267087292989023,0.6105953328221356,0.5149001761474845,0.49998071136486383,5.487843728736187,5.6553890713265975,12.6173623483847,0.6574234644958779,1.625476220334484,2.73757905676617,0.6361321538612694,0.07780022734808557,0.7931536968545844,0.1843053877388832,0.255202040961878,0.2968221761369265,0.017529319129715358,3.451511437975525,2.0039375609397663,5.590935143237209,0.6897305452818765,0.5695535362285199,3.4964733046538305,0.6268538010986229,0.21380166016427263,0.8061723535005055,0.14453197839657098,0.4163021202454623,0.28823040947732187,0.1323809403783964,4.337128765916726,3.0733517620723365,7.879086213616498,0.7092585302507585,0.8369134701011807,4.109506912103326,0.8546431525634504,0.39792564884537235,0.7664022538412849,0.15938662529695258,0.5750790404298465,0.535768183194967,0.4585716284211725,5.362075713512148,5.487524578289601,12.247179611756888,0.6496033807619273,1.569418852045986,3.821041304503713,0.6489951206238529,0.28020857687852607,0.804388258477202,0.1366235047560228,0.49717740662325005,0.30895126941847,0.22738727876913972,4.750245002006092,3.732379707605281,9.177496351756973,0.706582387715803,1.03351595481086,4.301661354001109,0.8735015001200097,0.439055471633491,0.766208420194083,0.15558737644970408,0.6301158628631989,0.5596732134954913,0.5582671880662357,5.614218325754609,6.029691213424512,13.293663830740783,0.6493126302911244,1.748056264424926,4.1100423522921545,0.8581067690890061,0.3972301726114648,0.7660301587427351,0.1599340367324617,0.57522893187419,0.540119603684802,0.45697008819277546,5.365379293992626,5.500353896790135,12.266706476252585,0.6490452381141026,1.5723186237517675 +UMLCN0209,L,"3,3,5-trimethylcyclohexanone",CC1CC(=O)CC(C1)(C)C,Ketones,Cyclic,C9H16O,Marquardt (2015),IQT,PubChem,,11.9,0,1.1745999999999979,1.379685159999995,41.359,27.310687999999974,0,0,26,10,16,0,9,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1570.6021139999982,1684.2544859999994,2562.524431,2359.6798830000034,1890.910576999994,512.4167999999999,36.578304,0.0,0.0,4525.3828036032055,5950.1674797480855,9237.862452956544,10699.582671939932,8280.178222242412,4248.70853433158,1119.0147995134885,0.0,0.0,188.71178400000008,191.78064000000012,369.539212,528.7279320000006,662.4377960000005,350.1066240000001,241.86470400000016,0.0,0.0,32.85711047758398,44.25614896000001,70.99479829818796,88.70735777794289,75.24525993239297,39.50504745479202,16.00606457456401,0.0,0.0,4285.2829230004845,3744.453296631401,7848.966255400591,11139.123918239336,16107.144324436647,7650.677048099943,6657.035472872964,0.0,0.0,89.86805555555556,60.41666666666667,101.2222222222222,161.20833333333334,174.24999999999997,134.5,36.0,0.0,0.0,60.40777361538455,64.77901869230767,50.24557707843137,32.77333170833338,20.116069968085043,11.13949565217391,1.016064,0.0,0.0,174.05318475396945,228.85259537492635,181.1345579011087,148.6053148880546,88.08700236428098,92.36322900720826,31.083744430930235,0.0,0.0,7.258145538461542,7.3761784615384665,7.245866901960785,7.343443500000008,7.047210595744686,7.611013565217394,6.718464000000004,0.0,0.0,1.2637350183686147,1.702159575384616,1.3920548685919207,1.2320466358047624,0.8004814886424784,0.8588053794520004,0.4446129048490003,0.0,0.0,164.8185739615571,144.01743448582312,153.9012991255018,154.7100544199908,171.35259919613455,166.31906626304223,184.917652024249,0.0,0.0,3.4564636752136755,2.323717948717949,1.98474945533769,2.2390046296296298,1.8537234042553188,2.9239130434782608,1.0,0.0,0.0,0.1348354879848703,-0.04430258114691494,0.004558602541624424,-0.07992662384263384,0.12856764380938382,-0.10096818398996434,0.024653398636069527,0.0,0.0,814.3201495384612,-6.536993168992922E-13,243.96676113609396,-967.9362003372779,765.8068511301784,-1141.3107347218934,692.3132480236696,0.0,0.0,1310.1362218698503,4.689582056016661E-13,341.22128700082374,-1613.7967916612658,899.7490479185933,-1389.1831669696226,1106.9415127765467,0.0,0.0,1.1107993846153839,1.5178830414797062E-15,0.13354951479289984,-0.4361106035502931,0.5116326863905258,-1.083609372781057,0.3191380828402297,0.0,0.0,5.84609261322461,1.5154544286133387E-14,1.208350045814808,-6.763820409204539,2.516744970887368,-4.35663813709279,4.4723172229828165,0.0,0.0,32.20278629424383,-1.780797731498751E-13,6.0429308552961185,-36.06201835373491,11.175504363045043,-20.796011708069024,23.53820169634108,0.0,0.0,35.05795940170939,-1.4110576923076916,4.013180062458909,-15.386464497041448,18.503328402366826,-30.60040680473373,7.352440828402368,0.0,0.0,0.005185980307110396,-0.0017039454287274976,8.938436356126322E-5,-0.0011100919978143588,0.0013677408915891895,-0.0021949605215209637,6.848166287797091E-4,0.0,0.0,31.32000575147928,-2.5142281419203544E-14,4.783661983060666,-13.443558338017748,8.146881395001898,-24.811102928736812,19.230923556213046,0.0,0.0,50.389854687301934,1.8036854061602542E-14,6.690613470604387,-22.41384432862869,9.571798382112695,-30.199634064557014,30.748375354904073,0.0,0.0,0.04272305325443784,5.83801169799887E-17,0.002618617937115683,-0.006057091715976293,0.005442900919048147,-0.02355672549524037,0.008864946745561937,0.0,0.0,0.22484971589325425,5.828670879282072E-16,0.02369313815323153,-0.09394195012784082,0.02677388266901455,-0.09470952471940848,0.1242310339717449,0.0,0.0,1.2385687036247626,-6.849222044225966E-15,0.11848884029992389,-0.500861366024096,0.11888834428771322,-0.4520872110449788,0.6538389360094744,0.0,0.0,1.3483830539118995,-0.05427144970414199,0.07868980514625312,-0.21370089579224233,0.19684391917411517,-0.6652262348855159,0.20423446745562132,0.0,0.0,-0.32856766277944627,0.01723576995437296,-0.2140563465488547,0.263738157608101,-0.4232489117846237,0.13205152897336891,0.0,0.0,-8.027546871703894E-16,0.1527350288827686,-0.42923230744881946,0.26011749358050845,-0.7921806632351898,0.6140140493206885,0.0,0.0,3.579461416098857E-16,0.13277699473680757,-0.4448086716605853,0.18995487170009154,-0.599319729178882,0.6102096452890259,0.0,0.0,1.3664781080206267E-15,0.061292855674908366,-0.14177572187790943,0.12739962396022733,-0.5513820689487688,0.20749796819919686,0.0,0.0,2.5922518319076687E-15,0.10537321810306255,-0.41779883845812404,0.11907456748455601,-0.42121256121297984,0.5525069643882613,0.0,0.0,-5.529949226216691E-15,0.09566594081794379,-0.40438722903161395,0.09598849376685986,-0.36500777851233623,0.5278988029456635,0.0,0.0,-0.040249281943058275,0.05835864290785914,-0.1584867854666802,0.1459851624529364,-0.4933510792467883,0.15146620751655157,0.0,0.0,1.0869393644450775,0.6925298986159346,1.2459604791245737,0.5504163022215035,2.6033665852869414,0.00603894072293251,0.0,0.0,1.1530148381036336,0.8841106824451128,1.4889783166649297,0.5808802107800992,1.9157128432913217,0.0,0.0,0.0,1.3344499356126935,1.0236840149698316,1.5449857939918665,0.6394172394844762,1.4511352006881155,0.0,0.0,0.0,0.5210731121426625,0.48942672231406154,1.1481508681420245,0.6064771707794631,3.1916439062343196,0.0,0.0,0.0,1.3862162098937914,1.0758413795945412,1.5413068456220878,0.6870708584219489,1.2724285784127516,0.0,0.0,0.0,1.3888786855341497,1.0832386455945986,1.5336036134658781,0.7013523848752933,1.2455956283253606,0.0,0.0,0.0,0.560351066990713,0.46821779215659415,1.1740643673607254,0.5702573269040647,3.2264117756369775,0.0,0.0,0.0,42.03839667363194,21.144198336815975,29.26467771236762,42.23839667363195,4.223839667363196,21.144198339953828,0.2500000000000142,0.007800774766410001,7.800774766410001E-4,-4.853532221192469,41.67401115435191,4.167401115435191,3.729877700805311,42.04032862355671,21.14479710132771,29.26534094093512,42.23974108683568,4.223974108683568,21.144797104463265,0.2492655790987115,0.007788372573809599,7.788372573809599E-4,-4.855123353144242,41.67183493586427,4.1671834935864265,3.7298254794028,43.77017540495655,21.685590463449266,29.8842146743555,43.61057761373334,4.361057761373335,21.685590465134336,-0.39899447805801813,0.007022996085755739,7.022996085755739E-4,-4.958565359151879,40.272535781140846,4.027253578114085,3.695669742365369,42.0423562885577,21.145425544388313,29.266037083310177,42.24115212873284,4.224115212873285,21.14542554752146,0.2484948002189249,0.007775348414230943,7.775348414230943E-4,-4.856797009801137,41.66955182292437,4.166955182292437,3.7297706899871383,45.63959929388647,22.27865251477367,30.644815144415077,45.206681588150815,4.520668158815082,22.27865251567236,-1.082294264339133,0.03753716067933399,0.003753716067933399,-3.282423885225127,42.190890744663626,4.219089074466362,3.742204338609837,42.24096141754942,21.207047801713856,29.33450243673861,42.37946876625205,4.237946876625204,21.20704780462138,0.17313418587828977,0.006461174751949572,6.461174751949573E-4,-5.041944127573368,41.45073392683808,4.145073392683808,3.724505587741511,50.730779679924865,25.260252380613302,35.862608996585784,50.99369741925101,5.099369741925102,25.260252380667307,0.5061507936507716,0.0499236299594929,0.00499236299594929,-2.9972608420298976,44.71800854945414,4.471800854945414,3.800376296313562,0,11.889999999999999,15.99491689148276,-0.29916773653100237,0.1335031659572966,4.671434164410715,9.46794943663508,10.0,26.0,25.0,25.0,9.0,1.0,1.0,0.0,0.0,1.0,18.449311999999995,3.7485810366681553,3.162470165670738,3.047720261564544,2.333552793103046,2.22046754843683,2.1391213868943093,1.8034221270499882,1.0053788380743132,2.008814569614202,1.6347456881710745,1.388568468038402,1.2496297225843562,1.0983186260974522,1.0309179160390192,0.38871970493614333,0.18830398990920022,3.741718302344674,3.172960498418553,2.9891483609957628,2.4054545878412874,2.2852944288474286,2.2064669221303324,1.643919419430719,1.113851807169058,1.975626817621407,1.5620210917025021,1.3651365819567625,1.1345406859483507,0.9913669330388677,0.9165287936407566,0.3535345639161447,0.20097160238460662,3.840651688906131,3.3210896084479673,3.1780846603506245,2.704236987233517,2.5763037792627226,2.493335911000766,2.0630539339226854,1.5872377987602233,1.8376068658537617,1.3438030424540197,1.1220469420828512,0.7603185604308972,0.6261891124523322,0.5475572513537437,0.10549235632783892,0.34116784339330625,3.7492584866615712,3.194073258546647,2.982203385392617,2.4575399160416938,2.334228810989792,2.2557674066497597,1.6109112061014368,1.192930315038286,1.9559902097073776,1.5166699163527158,1.3548140865182416,1.0582626705327116,0.9198967338905748,0.8409791674535486,0.380005386081316,0.1034271634704782,3.8751523941443917,3.3892044387104163,3.215059800777242,2.838982085149648,2.7053522962475,2.6246852954226734,2.11904289243606,1.786156109356932,1.8031024837975123,1.2786342270722122,1.0802710788709529,0.6313372621875614,0.5024952194429114,0.4224489537910359,0.16679744654185605,0.5311272908358606,4.960092670931864,3.6175451528466747,3.241674081067966,2.673968740013665,2.6303433821285416,2.394197968628906,2.327410863672651,1.315842904217626,1.929298673986411,1.4349155063766619,1.1077508334979127,0.8434602654373922,0.7706236116492652,0.7270108309659064,0.018769021517230127,0.5070073473487706,0,0,0,1,0,3,3,1,1,0.0,0.0,0.0,0.05892556509887897,0.23570226039551587,0.0,0.0,0.0,0.051031036307982884,0.173926442257282,1.7844570503761732,0.25,0.0,0.0,1.597843988397326,0.25,0.0,0.0,1.6076070275816352,3.6550404607907185,3.250382876665244,1.3182077111250559,2.6230387858418314,2.204642389240349,7.776020881938894,4.494800481421252,5.018507544277553,2.6068329947055804,2.8235328538707036,1.0202200572599405,0.8880711874576981,0.0,0.7776020881938894,0.44948004814212517,0.3345671696185036,0.1862023567646843,0.14860699230898441,0.07287286123285289,0.06831316826597678,0.0,7.106918903213131,4.012184557722379,4.393085398250948,2.1529023576926627,2.08224490551745,0.7981244848389957,0.5805787994602888,0.0,0.7106918903213131,0.4012184557722379,0.29287235988339655,0.1537787398351902,0.10959183713249737,0.05700889177421398,0.04465990765079145,0.0,14.049421534703852,25.433357611070644,24.152941176470595,24.479999999999997,15.86867544910179,199.12325628742516,0.5403623667193789,0.9782060619642555,0.9289592760180998,0.9415384615384614,0.6103336711192996,7.658586780285583,2.4017000000000004,41.80300000000001,40.91026730186539,53.94736786933335,81.82053460373078,8.182053460373076,40.91026730186539,0.08476755332360641,0.008476755332360641,-2.467842435305115,38.13864208127065,3.8138642081270655,3.6412279960059575,70,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,3.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.089097222222222,0.4479166666666672,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.171180555555556,0.8027777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.527708333333333,0.0,2.8050694444444444,0.0,0.0,0.0,0.6076388888888888,0.0,0.0,0.4479166666666672,0.0,0.0,0.2725694444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.089097222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.089097222222222,0.4479166666666672,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.265625,0.4013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.165486111111111,0.0,0.7890277777777777,0.0,0.0,0.0,0.6076388888888888,0.0,0.0,0.4479166666666672,0.0,0.0,0.2725694444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.089097222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.089097222222222,0.4479166666666672,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4013888888888889,0.4013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.181111111111111,0.0,1.2070833333333333,0.0,0.0,0.0,0.6076388888888888,0.0,0.0,0.4479166666666672,0.0,0.0,0.2725694444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.089097222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.75,2.175,0.4013888888888889,11.089097222222222,0.10590277777777778,0.2725694444444444,4.433883263888888,1.2187499999999996,4.089097222222223,9.233611111111111,1.2187499999999996,4.089097222222223,9.233611111111111,4.83333,0.48333,0.0,0.01667,0.48333,0.77667,0.43333,0.48333,0.77667,0.05,0.0,-0.05,0.0,0.62232,0.09197,0.0,0.37931,0.2069,0.10345,6.75,0.675,5.25,0.525,1.5,0.15,-3.75,-0.375,0.0,0.0,10.6212,1.06212,12.8637,2.2425,0.22425,3.80663,0.38066,4.49479,0.68816,0.06882,0.41921,0.04192,0.50521,0.05052,0.23076923076923078,10.01,1,1,1,1,0,0,0.8888888888888888,1.141619525334138,1.979097891134805,3.1416195253341375,3.613337314045307,3.6133373140453076,3.6133373140453067,29.682107658687585,51.45654516950493,81.68210765868757,93.94677016517798,93.946770165178,93.94677016517798,0.2428750486743015,0.42104526593471325,0.6683671557810277,0.7687232537202482,0.7687232537202483,0.7687232537202481,3.5588201928069547,2.7213418270062877,1.5588201928069552,1.0871024040957855,1.087102404095785,1.087102404095786,0.2400939085971439,0.4162239149158245,0.6607137443114487,0.7599206737070524,0.7599206737070525,0.7599206737070523,9.68359431819945,19.733334707807458,22.9152052408773,23.3906142363801,23.390614236380102,23.390614236380102,36.95177838095598,22.56819083848836,19.63513327984635,18.351335779314315,18.351335779314315,18.35133577931432,8.1,2.56,2.2857142857142856,0,1,0,2.3400000000000003,1.2838000000000005,0.944940787421155,3.5716523669284492,2.4018739103520055,2.080083823051904,1.5000000000000004,4.160167646103808,2.080083823051904,0.4999999999999999,0.9999999999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.47400000000000003,0.47000000000000003,0.6300000000000001,0.351,4.601,15.0,14.0,19.0,14.0,13.0,0.0,0.0,0.0,0.0,95.0,2.4849066497880004,2.8903717578961645,2.833213344056216,3.2188758248682006,2.833213344056216,2.9444389791664403,0.0,0.0,0.0,0.0,4.727387818712341,1.1789473684210525,0.25,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.3,0,3.0,4.0,0.3333333333333333,4.5,1.1111111111111116,1.375,0.44444444444444453,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.07407407407407411,0.125,0.04938271604938273,0.0,0.0,0.0,0.0,0.0,0.0,0.6984567901234568,22.345588315950717,30.565165335795616,44.69117663190144,4.469117663190145,22.345588316813277,0.03685551931198644,0.003685551931198644,-3.300749893760835,40.07691580397561,4.007691580397561,3.6908005028171167,17.07,158.0176296325612,4.321928094887363,3.9318256327243257,4.6913478822291435,5.602118820879701,6.371611847231857,7.2868764117507,8.058643712215618,8.974744612722734,9.747126097411705,10.6633817512079,85.32767676837369,3.044522437723423,0.0,4.394449154672439,0.0,5.910796644040527,0.0,7.518064181233078,0.0,9.169622538697624,9.385889044482708,140.120115132,5.3892351973846155,19.15575097355822,1.915575097355822,2.4925198300299956,2.4925198300299956,0.0,109.0,11.0,2.5420000000000003,50.0,1.24626873261247,2.1250340146884183,2.898962494030862,3.4634118138982264,4.56247504514394,5.081642749256296,0.0,0.0,0.0,0.0,92.03791548381429,119.85954927799621,104.53320161445129,83.00351132208638,51.77520662758413,5.16327425838035,0.0,0.0,0.0,0.0,309.35662540093824,414.513964223569,449.80888131614176,336.8738957184438,426.2248586051986,157.95648450717255,0.0,0.0,0.0,0.0,9.251714461948668,15.515861960861336,21.404658268922546,24.62206733954654,34.84188622704987,34.14083387173945,0.0,0.0,0.0,0.0,2.24460063270907,3.116676225729123,3.661992841870212,2.947299146741356,3.9449653579245116,2.2593639441516995,0.0,0.0,0.0,0.0,177.58429896316406,323.13870989201206,446.57610360446,587.5479227840636,757.7282874442466,939.6854456185239,0.0,0.0,0.0,0.0,3.0355395494494597,4.524811205388901,6.761567737170186,7.0786133402942655,13.618833185566308,5.081642749256296,0.0,0.0,0.0,0.0,0.47537885440220684,0.6712892396379196,0.810157046190961,0.6789113612255451,0.9560324790000877,0.5203602175238448,0.0,0.0,0.0,0.0,376.8410419317192,222.24828206288583,13.88050985420809,103.67329387924134,-61.14305210056443,-19.55541071636997,273.16774805247786,283.39133416345027,33.43592057057806,0.7842451595033629,0.4625216471175601,0.028886775731221538,0.2157548404966372,-0.12724501132182406,-0.04069683099749032,181.07752297013036,106.79348564057459,6.669783973312292,49.81650394971816,-29.38011306955767,-9.396655191887053,0.22623996832467944,0.5072143409199695,9.142700354378771,28.51421002857519,424.29705698391274,56.217278827047764,0.8830060320007513,0.11699396799924873,706.1369385444045,26.573237261282348,8.904912233950848,861.1295158530063,29.34500836348503,9.513846901947483,1337.330902701774,36.56953517207696,11.017412924226743,1.175492783152349,1.175492783152349,550.0449622297376,391.88280450143805,303.9356107778205,1.4035955543635474,1.8097417437268486,1.2893612679953705,4.251990838008713,4.040538770896839,6.119384403469031,0.5144971377445217,4.4630304080359755,8.435054894236615,9.732126497893086,10.05297668902784,21.37923225594553,9.366922548828237,12.076516128341227,8.423349690692259,8.313950414743651,2.7914711844335693,2.881118510763262,5.110383301180725E-7,2.0949093367826674E-34,1.6563562838081784E-83,2.525911858286879E-154,7.4294818955547E-247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.37511901824821237,7.858024613001797,0.606097586117947,6.17928028566587,1.6344844814686317,2.7636040371190314,3.763786143716036,0.6117006545729677,0.8198255360130221,0.06250823973579656,0.020337681341536743,3.599284744216404E-9,1.4754617749819751E-36,1.1665852739304966E-85,1.7790203749818014E-156,5.232644846409795E-249,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2095486660643802,7.3015406208711635,2.0535188792667123,6.572902584071623,4.546999265758761,3.625167606607681,3.945039969060055,1.5739883434293231,1.4619410239968378,0.3093890973899938,0.21151029715865,3.750732209785931E-8,1.5375449282320196E-35,1.2156717996329718E-84,1.8538763939229197E-155,5.452819368997264E-248,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.2127713248726675,8.66591119321563,9.026484284978709,9.995630957460678,20.05313774658927,9.22111579618074,11.876723111437727,8.186206509251534,8.156686252801936,2.527619963472991,2.56718409355067,4.553259516349261E-7,1.8665265032841557E-34,1.4757836285923975E-83,2.2505419903722104E-154,6.619534611946453E-247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7823585248344114,7.145740591678894,3.170467822946512,6.968603899744521,6.808983344156075,4.276924032674178,4.503425897514736,2.304791311645058,2.0609692270965354,0.5676773594418096,0.45932870628693856,8.147091557351587E-8,3.339753041063623E-35,2.640601594925773E-84,4.026867254851249E-155,1.184425231132572E-247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.3896272377532,9.06411360096348,12.511656392344921,11.23998576818344,27.833124905754627,11.678930406848723,15.760500926410483,11.394056093998737,11.431262173220167,3.9442106355478694,4.201841493915944,7.453013762911488E-7,3.055228384823035E-34,2.4156399729654475E-83,3.683805056142047E-154,1.0835201110272398E-246,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.942484099163577,10.417418428572425,5.068671503828119,10.518202501996798,12.810268118277943,8.315842974335942,12.70728345425506,7.357740527946977,8.427654078836717,1.3114192963476325,1.0736352571828551,1.9026304965039415E-7,7.799490090406025E-35,6.166727215786841E-84,9.404141822291857E-155,2.7660466925133273E-247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.2358802144101664,1.5575810325336896,1.1056331917826503,0.5485384660342422,0.2640373109317333,0.5675051111225281,0.40522787090251244,0.46312127411074083,5.8990944387265065,10.339955503661301,21.811602259489447,0.32280769905136325,1.4358542561357814,2.37306723236147,1.7355055946489952,0.5204322869932092,0.5126516765303332,0.37491978338903553,0.4085804893819168,0.31789970271913964,0.09746574953244966,4.629005114003674,6.25670541088075,13.029096044813326,0.3313571898790531,0.8239459416335061,2.6288858246670816,1.4921893876550982,0.755025548554439,0.5391368951519501,0.30602103213856363,0.37974313191706754,0.3666361320803492,0.2125790090387473,4.876100760876619,7.034312601742796,14.872224208713021,0.30870534272792505,0.958958273036164,3.1769492625321902,1.6622248057194131,1.0813269636279579,0.5366014202895283,0.28075745562225035,0.5485855862775031,0.4517326009977089,0.432707539229227,5.920501031879561,10.513533272382661,22.144309919273454,0.3049021304342924,1.433025726504439,2.831991845653378,1.3764047540318076,0.8604696572690211,0.5587032093750827,0.2715409490521585,0.435804055919254,0.32227044938270766,0.28436360270970956,5.068866256954207,7.519164619519849,15.942113239202168,0.33805481406262405,1.0424381080116711,3.30849173369194,1.599048529739623,1.1504688681413753,0.5461351513071924,0.2639561108295055,0.5931053142759011,0.424515157272969,0.498956627184015,6.058009131572939,10.93641113464413,23.080905453222336,0.31920272696078866,1.5165770987328853,3.183614838591922,1.6851996359510966,1.083595590063156,0.5348446770363018,0.28311215417961855,0.55117006120733,0.4629543648269491,0.43253021228584704,5.952410064606175,10.640852460454093,22.40678165363706,0.30226701555445273,1.4466546383201262 +UMLCN0210,L,2-octanone,CCCCCCC(=O)C,Ketones,,C8H16O,Marquardt (2015),IQT,PubChem,,36.6,0,-1.319800000000001,1.7418720400000025,32.8647,25.550687999999976,0,0,25,9,16,0,8,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1426.3379929999983,1395.7262439999995,1575.873695999998,1307.0430739999974,1068.0017529999975,871.2450240000001,674.4882950000002,477.73156600000004,127.11988800000002,4101.865901853882,5103.1336762494275,6471.633629021333,6267.90333432271,5201.5665640767675,4194.76821912165,3187.9698741665256,2181.1715292113977,1120.9630566850935,181.17126800000005,176.699608,324.27239999999995,413.72167999999976,362.73405999999994,299.8491600000001,236.9642600000002,174.07936000000007,111.43007999999999,30.068210477583982,38.67834896000001,53.25497401333905,54.464227276678066,46.50607188837607,37.48454302898003,28.46301416958398,19.441485310187993,10.953247247094001,4158.488566910484,3490.864584451401,7082.73320617214,9456.365981988829,8531.363909007277,7052.408753968682,5573.453598930085,4094.4984438914885,2583.794028511344,87.02777777777777,56.50000000000001,91.58333333333333,118.83333333333333,91.58333333333333,79.33333333333333,67.16666666666667,57.5,39.0,57.05351971999993,58.15526016666664,35.01941546666662,22.93058024561399,20.941210843137206,20.743929142857144,20.43903924242425,19.90548191666667,8.474659200000001,164.07463607415528,212.63056984372614,143.8140806449185,109.96321639162649,101.9915012564072,99.8754337886107,96.60514770201593,90.8821470504749,74.7308704456729,7.246850720000002,7.362483666666667,7.206053333333332,7.258275087719294,7.112432549019607,7.139265714285717,7.180735151515157,7.25330666666667,7.428672,1.2027284191033594,1.6115978733333336,1.18344386696309,0.955512759239966,0.9118837625171778,0.8924891197376197,0.8625155808964842,0.8100618879244997,0.7302164831396001,166.33954267641937,145.45269101880837,157.39407124826977,165.9011575787514,167.2816452746525,167.91449414211147,168.89253330091165,170.60410182881202,172.25293523408962,3.481111111111111,2.354166666666667,2.035185185185185,2.0847953216374266,1.795751633986928,1.8888888888888888,2.0353535353535355,2.3958333333333335,2.6,0.13429599436393094,-0.04291010776980105,0.005050346206686421,-0.0339961549450042,0.0014368100687238627,-6.693419123756224E-4,0.0024758222090770885,0.01731645425808863,-0.022255834591853894,768.7745440000008,-47.367429759999524,-116.74380499999967,-219.39650407999977,15.010935359999745,13.164597919999789,11.318260479999832,9.471923039999876,-202.6593492,1217.0821791610597,-96.77620441714221,-369.1454127861123,-212.16705884947294,9.267178905556072,9.021139293277876,8.775099680999737,8.529060068721655,-206.30327133530454,1.10707456,-0.00387381759999853,0.08814755200000002,-0.317218956799999,-0.014320742400001725,-0.02902958080000098,-0.04373841920000027,-0.058447257599999525,-0.2508351359999987,5.405687815450234,-0.4580209896853374,-2.0825240445815014,-0.4850129391623064,-0.03349712962633139,-0.03406850407016587,-0.03463987851399969,-0.03521125295783373,-0.49890463175630667,29.769714222906217,-2.5303949541912454,-12.025285389014392,-1.9461774030859633,-0.3234175739325267,-0.332610272200202,-0.34180297046787556,-0.3509956687355509,-2.061922698713868,34.70666666666671,-0.32506666666666606,4.204666666666667,-9.25453333333334,-1.3216000000000019,-2.0272000000000014,-2.6494666666666675,-0.0483999999999995,-7.727333333333332,0.005371839774557238,-0.0017879211570750438,1.1222991570414269E-4,-5.96423770964986E-4,2.8172746445565935E-5,-1.593671219941958E-5,7.502491542657843E-5,7.215189274203596E-4,-0.0014837223061235929,30.75098176000003,-1.9736429066666468,-2.59430677777777,-3.8490614750877152,0.29433206588234795,0.3134428076190426,0.3429775903030252,0.3946634599999948,-13.51062328,48.68328716644239,-4.032341850714259,-8.20323139524694,-3.7222291026223324,0.18170939030502103,0.2147890307923304,0.2659121115454466,0.3553775028634023,-13.753551422353636,0.044282982400000004,-1.6140906666660542E-4,0.0019588344888888895,-0.0055652448561403335,-2.8079887058826914E-4,-6.911804952381186E-4,-0.0013254066424242504,-0.00243530239999998,-0.016722342399999913,0.21622751261800935,-0.019084207903555726,-0.046278312101811145,-0.008508998932672042,-6.568064632613998E-4,-8.111548588134732E-4,-0.001049693288303021,-0.0014671355399097387,-0.03326030878375378,1.1907885689162487,-0.10543312309130189,-0.2672285642003198,-0.034143463212034444,-0.006341521057500524,-0.007919292195242905,-0.010357665771753805,-0.014624819530647953,-0.1374615132475912,1.3882666666666685,-0.01354444444444442,0.09343703703703705,-0.16236023391812876,-0.025913725490196115,-0.0482666666666667,-0.08028686868686871,-0.002016666666666646,-0.5151555555555555,-0.3328321826617417,0.020892267903391257,-0.1110278407390036,0.0052445247118130985,-0.002966713987803765,0.01396633529203916,0.13431504990854445,-0.27620375297695576,-0.06418146002850235,-0.08436500655573761,-0.12516873461563627,0.009571468910472523,0.010192936604930114,0.011153386678182754,0.012834174306374874,-0.439355835382603,-0.08282805220050486,-0.16850200289888118,-0.07645804791070233,0.0037324798895312502,0.004411966473381145,0.005462082102967381,0.007299784454743344,-0.28251073875377136,-0.003644945708683917,0.04423447524819126,-0.12567457191276107,-0.006341010821083928,-0.015608264343959783,-0.029930383424767937,-0.054994091816182186,-0.3776245748073172,-0.08825985034231126,-0.21402601149820874,-0.03935206408124466,-0.003037571192069918,-0.0037513952271488737,-0.004854577826816258,-0.006785147376234224,-0.1538208916203551,-0.08854059053258956,-0.22441310840221435,-0.02867298536725863,-0.005325480293510056,-0.006650460377235859,-0.008698156870266604,-0.012281625733070465,-0.1154373806029198,-0.009756370854142625,0.0673048192256797,-0.11695176281079178,-0.018666244830625296,-0.03476757587399153,-0.057832454394113955,-0.0014526507875528066,-0.3710782430528871,1.1153351867225016,0.7671860852264718,1.2231772158669576,0.7545057198061138,0.8692845274519517,1.0249775028307606,1.2302317798252582,2.039860065658797,1.2701775203420362,1.1028892833198005,1.1077476064980518,0.8835098461049241,0.8928571428571421,0.9073029651105702,0.9325831540540698,1.4574741663142259,1.4939366264060547,1.2975755074870583,1.0127314928095803,0.9093864082427845,0.892857142857143,0.8673119145338792,0.8226077649681678,1.0524227786636704,0.5437393485042235,0.5457130788613429,1.3374020530953976,0.7554562114959775,0.8928571428571426,1.105204036778943,1.4768111011420941,2.5478522422193484,1.5591182041077658,1.3651733927106962,0.9735948447785225,0.9105211911789738,0.892857142857144,0.8655581590870433,0.8177849374893665,0.9017743851541289,1.5624870863910174,1.3728287648503321,0.9671914478583961,0.9081318395882864,0.892857142857143,0.8692507933635577,0.8279396817497834,0.8815033745618178,0.5378409527468299,0.4975028812908176,1.3355035687566958,0.753655284626335,0.9069205861368738,1.1420389061572296,1.4562524010756799,2.6277372262773686,49.993081860272085,25.121540930136042,40.480479828791175,50.18752630471653,5.576391811635171,25.121540930182856,0.24999999999999645,0.11656597252563866,0.012951774725070963,-1.9343680906347662,40.81214180784806,4.534682423094228,3.338081667420852,49.994967110005625,25.12211634455215,40.48122990119971,50.188840338193486,5.576537815354832,25.12211634459893,0.24926557909867597,0.11654312643132508,0.012949236270147232,-1.9345445014659186,40.81387621444032,4.534875134937813,3.338119914194886,51.67466821540616,25.63783686867406,41.16418943319241,51.36433917691657,5.707148797435176,25.63783686869949,-0.39899447805803945,0.09540109059283025,0.010600121176981139,-2.1146987419223087,42.7311669225682,4.7479074358409115,3.379435702644264,49.99694573588445,25.122720268051687,40.48201716304069,50.19021946938806,5.57669105215423,25.12272026809843,0.2484948002189178,0.11651914678414976,0.01294657186490553,-1.9347297024616539,40.815697362900885,4.535077484766765,3.338160072033349,53.4752561126392,26.196480924150016,41.93141532699682,52.63347168481985,5.848163520535539,26.196480924163975,-1.0822942643391649,0.07075876765320971,0.007862085294801079,-2.3836309431388156,46.066309984963446,5.118478887218161,3.4470736919160845,50.190624155286685,25.18187917058249,40.55926980367954,50.325284077636454,5.591698230848497,25.18187917062588,0.17313418587829688,0.11416194933225154,0.012684661036916837,-1.953123507467239,40.99819324866169,4.5553548054068544,3.3421751987647608,55.541339551590816,27.791081215681565,45.5791426821966,55.89991538933332,6.211101709925925,27.791081215685228,0.645436507936509,0.15392392858442389,0.017102658731602653,-1.6841670919587077,37.72567952608588,4.191742169565098,3.2673069154004324,0,11.889999999999999,15.994916640152281,-0.29950643095495455,0.19110557393179367,4.095597609282799,7.25097659696072,8.0,24.0,23.0,23.0,7.0,1.0,1.0,0.0,0.0,1.0,18.449311999999995,3.550727010068091,3.3230116366557008,2.909872364072123,2.4029433460873006,2.072900644683039,1.781266376212432,1.382481106790548,1.135412230265138,1.9012147152516938,1.7136836890609348,1.484184498294625,1.216543881091209,0.914272761481147,0.6721213424620119,0.5329740552529556,0.20412930486794628,3.5363928018980766,3.3098319561891207,2.925351188889139,2.462084552717779,2.05077726996361,1.7375228752751184,1.4453487097599467,1.250023564163184,1.8512810610728099,1.6721234467715411,1.4120418139897746,1.1099549816305472,0.8045426632854917,0.5537837686147633,0.39457569957489114,0.3078330662487476,3.670575944465565,3.4709624550995515,3.126220264891301,2.7205258584472047,2.3885331748069456,2.135990885466188,1.8910693581126796,1.7371358032230149,1.6703058014985683,1.4580437506247783,1.1403397447801085,0.7701904462728214,0.40104656687321427,0.09044130947678232,0.1154563561051745,0.21198928875570627,3.547822184079564,3.3185427201814317,2.9482135357694603,2.506128810764191,2.0877800383068497,1.748552793676999,1.4902721181538654,1.330141539511842,1.8227937598315285,1.6467544432170296,1.3652464088640228,1.0397488547278302,0.7392837875152636,0.5009875011673985,0.3383022299298556,0.24915651567032832,3.717398928977603,3.522381944916419,3.207475788386291,2.840513343091307,2.5046535340629856,2.238964613661271,2.0467556900264996,1.9340522821118409,1.6214679175197853,1.4065697084743647,1.0622819365177754,0.6563810934125146,0.27562463236391943,0.031263553934466004,0.2548390482634669,0.38692639478603585,4.947845448874044,3.480006398737332,3.163115806542281,2.8722655751884476,2.602768515691886,2.1007351590677867,1.7014390746009111,1.47718706642026,1.7794242560703561,1.4942743247006773,1.1766898086039532,0.9077225209698616,0.5740171928373331,0.2863851523578554,0.11746270082069521,0.49694202516184177,0,0,0,1,0,2,5,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.14433756729740646,0.0,0.0,0.0,0.2886751345948129,0.20412414523193154,0.14433756729740646,0.10206207261596577,0.07216878364870323,0.051031036307982884,7.112884175122364,4.2700556100296625,3.243182156491986,1.635027805014831,0.9793625530579064,0.5675139025074155,0.3061862178478973,0.20412414523193154,0.7903204639024849,0.5337569512537078,0.40539776956149826,0.2725046341691385,0.19587251061158129,0.14187847562685388,0.10206207261596577,0.10206207261596577,6.443782196396601,3.7647843170117525,2.512675274902433,1.3823921585058763,0.8007221742419769,0.4411960792529382,0.21286108712098847,0.12447273947267004,0.7159757995996223,0.47059803962646907,0.31408440936280413,0.2303986930843127,0.16014443484839538,0.11029901981323455,0.07095369570699615,0.06223636973633502,13.049421534703852,24.433357611070644,23.152941176470595,23.479999999999997,14.86867544910179,192.38056167664672,0.521976861388154,0.9773343044428258,0.9261176470588238,0.9391999999999999,0.5947470179640716,7.695222467065869,2.545800000000001,39.440000000000005,26.27222476218092,41.81111967960283,52.544449524361845,5.838272169373537,26.272224762194256,0.06822673905855597,0.007580748784283997,-2.4164268503977295,44.11417305852316,4.901574784280351,3.4081030038301736,87,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.40689767573696,0.32509542705971306,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6747268282312926,0.8027777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.833048469387755,0.0,5.6016250944822366,0.0,0.0,0.0,0.0,0.0,0.0,0.32509542705971306,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.40689767573696,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.40689767573696,0.32509542705971306,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22463329081632655,0.4013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6586763038548753,0.0,0.7777777777777777,0.0,0.0,0.0,0.0,0.0,0.0,0.32509542705971306,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.40689767573696,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.40689767573696,0.32509542705971306,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4013888888888889,0.4013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.17437216553288,0.0,1.271111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.32509542705971306,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.40689767573696,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.166666666666664,2.2407407407407405,0.5143335459183673,10.40689767573696,0.22463329081632655,0.32509542705971306,4.310021779100528,1.3415712396069537,3.4068976757369613,7.162539682539682,1.3415712396069537,3.4068976757369613,7.162539682539682,4.33333,0.48148,0.0,0.01852,0.47467,0.78519,0.42414,0.47467,0.78519,0.05053,0.0,-0.05053,0.0,0.61321,0.10108,0.0,0.30769,0.11538,0.0,5.75,0.63889,4.25,0.47222,1.5,0.16667,-2.75,-0.30556,0.0,0.0,7.87501,0.875,9.8423,1.96729,0.21859,3.52767,0.39196,4.27005,0.74238,0.08249,0.14395,0.01599,0.14395,0.01599,0.0,8.01,1,1,1,1,0,0,0.875,1.1238561897747248,1.763856189774725,3.063465189601647,3.5132696895151083,3.3492750707107133,3.2374058114255173,28.09640474436812,44.09640474436812,76.58662974004118,87.8317422378777,83.73187676776783,80.93514528563793,0.24200925779082827,0.3798257563743141,0.6596813218176459,0.7565414487319726,0.7212271297473551,0.6971373959757711,3.5199999999999996,2.8799999999999994,1.5803910001730772,1.130586500259616,1.294581119064011,1.406450378349207,0.24200925779082827,0.3798257563743141,0.6596813218176459,0.7565414487319726,0.7212271297473551,0.6971373959757711,9.698823505695543,17.37882350569554,20.4473499824136,20.568759996735135,18.97664834010826,20.290737474971852,33.32875243896086,22.689631074939772,19.93403209958494,19.309394165479556,21.85174147604906,20.11566696069,9.0,6.125,8.0,9,1,8,2.23,1.251500000000001,0.14285714285714285,3.2088441599414264,0.8164965809277259,0.0,5.6762400186093895,1.9192597481868876,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.41900000000000004,0.403,0.5980000000000001,0.179,4.386,8.0,6.0,5.0,4.0,3.0,2.0,0.0,0.0,0.0,45.0,2.302585092994046,2.3978952727983707,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,0.0,0.0,0.0,3.9889840465642745,1.1777777777777778,0.42857142857142855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.625,7.0,0.875,0,4.0,7.0,0.75,1.5,0.44444444444444464,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0,0.0,0.0,0.0,0.1875,0.05555555555555558,0.041666666666666664,0.03200000000000001,0.027777777777777783,0.027210884353741496,0.0,0.0,0.0,0.0,0.37171088435374156,26.27222476218092,41.81111967960283,52.544449524361845,5.838272169373537,26.272224762194256,0.06822673905855597,0.007580748784283997,-2.4164268503977295,44.11417305852316,4.901574784280351,3.4081030038301736,17.07,153.07810370749456,4.169925001442312,3.4965075614664802,4.110873864173311,4.795790545596741,5.43372200355424,6.124683390894205,6.771935555839602,7.463363045520021,8.11522197256233,8.805824812903607,72.11792275251054,2.833213344056216,0.0,3.8918202981106265,0.0,5.081404364984463,0.0,6.329720905522696,0.0,7.6093665379542115,7.940939762327791,128.120115132,5.12480460528,16.66375611131339,1.851528456812599,2.377773398705938,2.377773398705938,0.0,114.0,6.0,2.7139999999999995,32.0,1.2353749999999997,2.1323935038328257,2.8878076495267386,3.611714761993117,4.943063394145844,5.967946037188952,7.279338906541604,8.412197104367484,9.537594492094588,0.0,82.57073001704164,83.84924799440218,76.99974786230337,95.01613246750456,117.43278602681669,139.40815136728824,156.4026359029094,72.6189680577421,9.690806410015595,0.0,288.0075882972671,329.92656515676686,346.1919993157637,430.16246252697766,539.6684423250643,631.9861081430289,700.1100222909787,647.1239453681505,296.46414967811626,0.0,9.127084548166666,15.448416701502149,21.019493688893988,25.791921616198305,35.373060940132895,42.89879091155795,52.817347158421256,62.243081072175805,64.07798524173577,0.0,2.129262228853333,2.657342536086825,2.925595434303415,3.7008220774779907,4.706551019473748,5.519100899488503,6.1607321312768875,6.332966159115177,4.240537592401997,0.0,177.51039411256724,331.9588858540808,475.5868655662176,590.4855746317597,821.0371612156682,995.0389640241291,1232.5760461978955,1439.3729072913725,1763.6695794375407,0.0,2.967618055555555,4.545978664667252,6.133083972675006,6.667400224725903,9.497086082794315,12.263494611201978,17.55505804097834,21.369645887182642,9.537594492094588,0.0,0.45145093750000015,0.5830460067019593,0.6568149358643974,0.8165037007128442,1.0537947680906516,1.2535718923440038,1.4458753273405012,1.524586916287002,0.9766496759904858,0.0,400.2868788051538,231.93937614536122,11.254121854845511,179.85795474511414,-104.21561142069912,-19.650952446867283,220.42892406003963,336.15498756606036,30.905074301712794,0.6899774946810243,0.3997956419364791,0.01939881423398106,0.3100225053189755,-0.17963723090135753,-0.033872494091881936,232.22436467677224,134.5584307676036,6.529020650233782,104.34366321829589,-60.4601485410009,-11.400398536392052,0.22362116781312727,0.5168484023596834,1.0970831298169015,20.091784027020772,541.2711832975222,38.873650252745804,0.9329931975523186,0.06700680244768138,568.45873657732,23.84237271282621,8.283864411300586,723.4513138859222,26.897050282250696,8.977107721645035,919.542057057614,30.323951870717874,9.72427426179364,2.51078528821197,2.51078528821197,1152.2819102686035,1094.7239137316549,80.94585896264357,1.052577636986797,14.235217527315145,13.524149694141473,4.788001037147795,5.6454556919422,10.084884811916924,0.786372148188348,4.475623891073423,6.7267727192979745,2.548206025985575,23.905170920317754,8.785040440701978,0.16144290231372363,4.702666913525718,9.849305064566673,14.871491230956428,0.6849427722564804,3.0951998921937993,8.375337290757255,5.280554878742925,4.287850631287675,2.1359766288843307,0.5868031004567498,0.21109921720002306,1.9674102125465505,1.9884579637789201,6.565088865304624E-8,8.543876908242337E-37,2.144594985712202E-87,1.0382728422047533E-159,9.695129345712431E-254,0.0,0.0,0.0,0.0,0.0,0.0,0.39210186399231023,6.72650641704644,0.17508564523064032,6.37643271810326,0.1512514231970641,0.0030594748189199175,0.7535037410662652,0.3823365079528223,5.258914711169873,0.026770656666922847,0.025569695394110005,1.4751163509361982,0.2673557068647505,2.381729421743104,0.1879229633731283,0.020938154938019864,0.019588603975167176,0.12828900263178372,0.014004872025727888,4.6238457674704006E-10,6.017522365728304E-39,1.5104557837791721E-89,7.312640522323153E-162,6.828358870686882E-256,0.0,0.0,0.0,0.0,0.0,0.0,1.218374690719763,6.7264069239078585,0.590738430143436,7.423351499602912,0.7668307275955152,0.016306014608893086,1.5296331478127463,1.4604926143787011,5.914663559199081,0.10665584981894959,0.23239019414384357,2.186178391525753,0.8311546760388792,2.2412704974360893,0.5073893907675592,0.0860218205725268,0.034223472307987925,0.438395672360662,0.1459415643211699,4.8184037900867054E-9,6.270722258501972E-38,1.574011383450959E-88,7.620335231808541E-161,7.115676412491944E-255,0.0,0.0,0.0,0.0,0.0,0.0,4.229734702837516,6.726802007026508,2.378604046638216,22.511444174074366,8.10048961605105,0.1455357079370532,4.475445140162254,9.12170760364699,14.927685821763367,0.6253831777626332,2.7587833996021707,8.070930274410985,5.15410804651913,4.306497486942816,2.2062297299849507,0.5343239630556916,0.1907231642734507,1.8317205514066166,1.7716802464396313,5.84937598413026E-8,7.612440505193205E-37,1.9107955219626809E-87,9.250824098152322E-160,8.638185700356916E-254,0.0,0.0,0.0,0.0,0.0,0.0,1.7880846985646102,6.726389459822605,0.8964848747666854,8.829733357377311,1.4665985565003223,0.030928588453583074,2.0726187829525897,2.4151737329240293,6.625955809983609,0.1776653566431136,0.49900036686945104,2.8995761655626824,1.267652494892056,2.318706015450494,0.694843627204511,0.1456708480254768,0.05153150083775849,0.6706622631395476,0.3170045793846595,1.0466216899117625E-8,1.3620846680934843E-37,3.418963054688594E-88,1.6552386403187017E-160,1.5456200011775211E-254,0.0,0.0,0.0,0.0,0.0,0.0,5.404987032261229,6.726966450697027,3.2037836576403675,31.9403516973997,12.769022058095283,0.23014292849994464,5.616448463087824,13.49690542029103,18.786011364117,0.9273411120942749,4.509404725180481,10.662179699188755,7.291648252154188,5.2069865813286444,2.76724742850975,0.8013633530626454,0.2963661643340454,2.4960362439405563,2.899979061764537,9.57456511266922E-8,1.246044150368123E-36,3.1276902342513264E-87,1.514223361840857E-159,1.4139434987216518E-253,0.0,0.0,0.0,0.0,0.0,0.0,2.8368956574747184,6.338906369450357,1.3790951857978424,16.125325800014036,4.904958584084388,0.06700235684673914,3.1155696104668467,5.263392895333312,16.001465523810275,0.3055991206762004,1.1467613005328112,7.4471016360255975,4.453628964341712,6.010448577168216,2.510810100478369,0.29682680757296276,0.10226323815306329,1.2758071607237675,0.7340822221673841,2.4236444072523396E-8,3.154156769202106E-37,7.917235774845239E-88,3.8330085377980316E-160,3.579166481737132E-254,0.0,0.0,0.0,0.0,0.0,0.0,9.672066398543983,0.7901431581657317,0.4641254520000001,0.8852068320103753,0.07231547975930488,0.543371579297903,0.5298007843327877,0.559982270289438,10.926335008709714,12.498094829560813,26.971423712056385,0.8278102480155629,1.6331546339201286,8.658423535068055,0.5713006233928208,0.09122147479156097,0.9289211498218767,0.0612921312784733,0.4431697910304869,0.24109499223870673,0.0216320503498426,9.320945633252437,5.788511812837551,15.5606901964966,0.893381724732815,0.7058968336190363,8.996976416767488,0.5861738744898628,0.24088814365210226,0.9158124203583099,0.05966730264479727,0.47138104830996286,0.29159421764544496,0.150846193759726,9.824038434909452,7.582259808910608,18.67669233515209,0.8737186305374648,0.9138214597151338,9.638423026634836,0.8139431125817569,0.44825661444540515,0.8842084754650248,0.07466941393860434,0.5399027765421726,0.5649369357917501,0.5223443722629239,10.900622753661999,12.530470297187856,26.947723585358748,0.8263127131975373,1.6271840845968466,9.1881919365076,0.6034820510084948,0.3115858111900042,0.9094284537436432,0.059731419663758556,0.49058411310160605,0.3104176904948385,0.25238227579978645,10.1032597987061,8.595855597211585,20.426830338142523,0.864142680615465,1.053384079396231,9.758869723946832,0.8260215501046524,0.49111920745357496,0.8810816620517274,0.07457753416575033,0.553151447319469,0.5786489566442167,0.6270141555516987,11.07601048150506,13.259480110138348,28.294420545353354,0.8216224930775913,1.7588145595153843,9.676477722768993,0.8209102860513684,0.448138610391363,0.8840577579688783,0.07499961533239492,0.544230434553998,0.5748036071447311,0.5220693929840389,10.945526619211725,12.6478049703797,27.153129646745505,0.8260866369533174,1.6411034346827678 +UMLCN0211,L,menthone,CC1CCC(C(=O)C1)C(C)C,Ketones,Cyclic,C10H18O,Marquardt (2015),IQT,PubChem,,20.6,0,0.8437999999999973,0.7119984399999955,45.2235,30.404273999999972,0,0,29,11,18,0,10,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1716.898362999998,1852.7327829999992,2635.166959000001,2764.8114260000016,2198.4444899999976,952.4072909999999,462.2630900000005,154.42963200000003,18.289152,5011.0671942143945,6603.157614238452,9926.282151179661,11483.001326267933,9652.33139618714,5995.113767396715,3094.218044010936,1656.5930963245958,559.5073997567447,209.6892280000001,213.55642000000012,412.245004,589.0059200000007,655.7534160000009,493.2613559999998,288.60960800000015,145.87776000000002,120.93235199999997,36.535236287282004,49.27213758000001,77.67606415818794,94.18843169497984,83.88441901311084,55.205848336923076,31.389493055771965,17.364047863640998,8.003032287282004,4781.912583138983,4177.4927481472005,8767.70154167799,12846.065872176028,15145.321799020514,11391.372957117776,7268.753541413773,3501.7294407730415,3328.517736436482,93.86111111111111,65.41666666666666,108.52777777777774,170.02777777777777,196.77777777777786,154.66666666666666,54.0,33.0,18.0,59.20339182758614,63.88733734482756,46.230999280701774,34.13347439506175,24.158730659340634,14.21503419402985,11.006264047619059,7.353792000000001,1.016064,172.79542049015154,227.69509014615352,174.1453008978888,141.7654484724436,106.06957578227627,89.479309961145,73.67185819073657,78.88538553926647,31.08374443093026,7.230663034482762,7.364014482758625,7.23236849122807,7.271678024691367,7.206081494505504,7.362109791044773,6.871657333333337,6.946560000000001,6.718463999999998,1.259835734044207,1.6990392268965522,1.3627379676875078,1.162820144382467,0.9218068023418774,0.8239678856257175,0.7473688822802849,0.8268594220781428,0.4446129048490002,164.8935373496201,144.0514740740414,153.81932529259632,158.59340582933368,166.4321076815441,170.02049189728024,173.06556050985174,166.74902098919245,184.917652024249,3.2365900383141764,2.2557471264367814,1.903996101364522,2.099108367626886,2.162393162393163,2.3084577114427858,1.2857142857142858,1.5714285714285714,1.0,0.14056666022201209,-0.04671348821844631,-0.022216391922777565,-0.018733300405412802,0.07939807480673786,-0.07591516402754493,0.015104828934622372,-0.010990252328183828,0.009782363049999108,896.416017862068,-1.1368683772161603E-12,82.64645792627711,-328.78256161474553,-1.047569670630061,-620.395548060643,263.76020502734957,-178.92467379667022,334.5356812580271,1461.0162705958232,2.4158453015843406E-13,41.10940089506569,-655.4994788644351,-207.7303142239747,-493.010683428444,397.91762215651056,-355.5944139337938,542.2997321011592,1.131541793103449,1.547373340571312E-15,0.10228792390011955,-0.12152680142687093,0.020634097502972827,-0.8797917288941693,0.16446940309155333,0.0032486325802600444,0.1449075766944086,6.517919588417315,1.7930101847696278E-14,-0.13348499553407445,-3.1192090076232297,-1.6055201765839398,-0.5217391090331434,1.5478568726389184,-1.6393763254038822,2.2125129473306924,35.849691529858646,-2.8199664825478976E-13,-1.2461185258777712,-17.306760840487275,-9.912563006386048,-0.21921088301470815,8.053132428841257,-8.974592393295863,11.681267455291403,35.42337164750952,-1.0651340996168572,1.7032963403355796,-6.729455674461619,4.919573259347335,-23.56721495574052,5.1971858898137135,-1.3381886642885465,3.168252080856122,0.004847126214552141,-0.001610809938567114,-3.897612618031152E-4,-2.3127531364707164E-4,8.725063165575588E-4,-0.0011330621496648497,3.596387841576755E-4,-5.233453489611347E-4,5.434646138888393E-4,30.910897167657517,-3.920235783504001E-14,1.4499378583557387,-4.059043970552414,-0.011511754622308364,-9.25963504568124,6.280004881603562,-8.5202225617462,18.58531562544595,50.37987139985597,8.330501039946001E-15,0.721217559562556,-8.092586158820186,-2.2827507057579637,-7.358368409379761,9.474229098964537,-16.93306733018066,30.127762894508844,0.03901868252080859,5.3357701399010753E-17,0.0017945249807038517,-0.0015003308818132214,2.267483242084926E-4,-0.013131219834241334,0.003915938168846508,1.546967895361926E-4,0.008050420927467144,0.22475584787645914,6.182793740584923E-16,-0.0023418420269135866,-0.0385087531805337,-0.01764307886355978,-0.007787150881091692,0.03685373506283139,-0.07806553930494678,0.12291738596281625,1.2361962596502982,-9.72402235361344E-15,-0.021861728524171425,-0.21366371408008983,-0.10892926380644008,-0.0032718042241001214,0.1917412483057442,-0.4273615425378982,0.6489593030717447,1.2214955740520523,-0.0367287620557537,0.029882391935711922,-0.08307969968471134,0.054061244608212475,-0.35174947695135106,0.1237425211860408,-0.06372326972802603,0.17601400449200677,-0.33232267270679017,-0.08041079281842631,-0.04771390374625117,0.1800048684389737,-0.23375957206625805,0.074196290387067,-0.10797023345295541,0.11212099496341539,-1.2682374640376975E-15,0.046907013099342455,-0.13131433709402152,-3.7241735689099527E-4,-0.2995589223909592,0.2031647560257298,-0.27563815166972966,0.601254487200456,1.6535375753201738E-16,0.0143155895305564,-0.16063133815072267,-0.04531076881161888,-0.1460577052882433,0.18805584126583583,-0.33610779185571854,0.5980119054967452,1.367491108151978E-15,0.04599142935558716,-0.03845160279343358,0.005811275767385743,-0.33653673025065567,0.1003605943577963,0.00396468510831172,0.20632221303663623,2.7508933800838857E-15,-0.010419493192456643,-0.17133593427878543,-0.07849886456906606,-0.03464715581225736,0.1639723077776765,-0.3473348526524517,0.5468929379331651,-7.866082976471894E-15,-0.017684674543794354,-0.17283963805272487,-0.08811648066080913,-0.002646670541638483,0.15510583114042506,-0.3457068723527707,0.5249646227333884,-0.030068682061543478,0.024463774221124213,-0.06801473656520265,0.04425824027251754,-0.2879662312524775,0.10130410933504347,-0.052168236284833684,0.14409712833270255,1.1280858125464819,0.8111898076041909,1.1239596999456438,1.0399043520718454,1.888479196463935,0.14499313788641832,0.4170401292490219,1.9514629556428496E-12,1.1821517161846296,1.0038619050837418,1.1662808408754786,0.9547499119828728,1.3099671305041354,0.5402224261397728,1.0804448522795456,0.0,1.3503682518579052,1.1469795117010424,1.213683477413669,0.950489646375232,0.9684248250046512,0.6163584019428134,1.2327168038856269,0.0,0.5338741964275047,0.5123534427687997,1.0540190165050294,1.1842847524282112,2.4048629945971833,0.08383605499874552,0.16767210999749105,0.0,1.3975627959115942,1.1945315986623704,1.2356608194656695,0.9755576853577452,0.8453244461800717,0.617635287577017,1.235270575154034,0.0,1.3999906816414442,1.1998218733633224,1.2401269765552905,0.9869419119089352,0.8285070649555184,0.6099815596902068,1.2199631193804137,0.0,0.5564869395922349,0.49980217972328034,1.0854977162730506,1.1552564033230317,2.4178507172105546,0.03763993294034942,0.22583959764209652,0.0,53.895710779513195,27.07285538975661,39.67858404959278,54.100256234058676,4.918205112187152,27.07285538976555,0.25000000000002487,0.022945170353226185,0.002085924577566017,-4.1521125874215405,145.75159646049576,13.250145132772342,5.480094156446134,53.897560456446136,27.073413017772406,39.679141861692045,54.101505021163234,4.918318638287566,27.073413017781338,0.24926557909867597,0.0229438267473292,0.0020858024315753817,-4.152177002273923,145.75015895904716,13.25001445082247,5.4800833074439295,55.56006303844977,27.580534280195867,40.186457728945236,55.37870191205975,5.034427446550886,27.580534280200858,-0.39899447805803945,0.02169897839381496,0.001972634399437724,-4.213539107986994,144.35793457527308,13.123448597752098,5.469525459434973,53.89950178968883,27.07399829495388,39.679727332148566,54.10281571714068,4.918437792467335,27.073998294962806,0.2484948002189391,0.022942416488667627,0.0020856742262425117,-4.152244616635824,145.7486499560441,13.24987726873128,5.480071918695486,57.370165877168404,28.143935806414614,40.750155689131496,56.87821393883242,5.170746721712037,28.143935806417364,-1.082294264339179,0.02020504114741739,0.0018368219224924901,-4.292005458352696,142.62702159892106,12.966092872629188,5.456256280538086,54.089736619046356,27.131435402462337,39.73718372964592,54.23139186203772,4.930126532912519,27.13143540247066,0.1731341858783182,0.0228038431665612,0.0020730766515055636,-4.158908817018425,145.59944193170048,13.236312902881862,5.478945233155424,64.63186390119185,32.19510259074107,48.10244578647658,64.90395148471637,5.900359225883307,32.19510259074113,0.5032142857142716,0.046587754614376364,0.00423525041948876,-3.37305930378765,94.73739891726456,8.612490810660415,5.006219726376615,0,11.890000000000002,15.994917142939322,-0.2988728571889198,0.13629136252991658,4.985807825067747,9.386943764192182,11.0,29.0,28.0,28.0,10.0,1.0,1.0,0.0,0.0,1.0,20.635725999999995,3.7471825513200616,3.285004219268251,2.9748689333482554,2.767709709474317,2.3335527931030464,2.168873765288907,1.7982100813624053,1.4117347299150518,2.0045527493522677,1.7477086452889792,1.4187180476670922,1.2884197514507563,1.2496297225843571,1.0167337885860084,0.610960327563392,0.41066068509343123,3.7353169658251506,3.315370349185848,2.8901933240545916,2.8104683833281467,2.4054545878412896,2.229312292975809,1.6804712257709735,1.5036944326072674,1.9727291634086133,1.679295716722421,1.333709220020687,1.263340280989815,1.1345406859483498,0.916853710707541,0.486266544767074,0.3731551523014598,3.8381111272365813,3.451074952560823,3.0951913686294836,3.004695213805499,2.7042369872335175,2.5144192974661745,2.0793190276457083,1.8983434187631387,1.8315151586376257,1.4784081219899043,1.0579969250580281,1.011214739643539,0.7603185604308993,0.5597201693887252,0.011596989648373808,0.08119714794604836,3.741614599803778,3.337876848305431,2.8828498915883705,2.8399548348633545,2.4575399160416938,2.2760961059704976,1.670909464561099,1.565961640099354,1.9541164293143651,1.6357252189455749,1.2910090011642028,1.2421917921919574,1.0582626705327116,0.8494070906906235,0.43227048869582857,0.3303494715552788,3.871725961809852,3.518000314845083,3.136487942001139,3.089985997760431,2.838982085149648,2.6390364549040366,2.1664355029511784,2.0597234626686785,1.7973206757997646,1.4163963141094869,0.990583308829917,0.9494769354488098,0.6313372621875619,0.4402130064074273,0.10915644097185877,0.20887921260579106,5.0092473202615935,3.580969847127894,3.393909753120054,2.9239925913985907,2.6872818674796193,2.527207923206397,2.311607905839234,1.6739297772279822,1.9176364765932798,1.567032834006863,1.1647280586029911,1.0003273594013549,0.8316117643868364,0.7032539312826478,0.23341271690135965,0.02709683365097329,0,0,0,1,0,3,3,3,0,0.0,0.0,0.0,0.06804138174397717,0.17536647355387364,0.0,0.0,0.0,0.05892556509887897,0.11700251718710197,0.9937934918116165,0.0,0.23230780835289197,0.0,0.8231929314592374,0.0,0.1518718210697465,0.0,1.8384737358603034,2.723353666490636,2.770965865014589,1.3564626990499884,1.6152843523742413,1.644061835463253,8.430721420318147,5.109060905280623,4.803379675677592,3.3541597113031907,2.679205053837325,1.4627488875462948,1.0437367965653028,0.19641855032959651,0.7664292200289224,0.4644600822982385,0.32022531171183943,0.19730351242959945,0.14101079230722763,0.08126382708590527,0.06958245310435353,0.039283710065919304,7.761619441592384,4.6364816827138196,4.203468980821599,2.7384176232147532,1.9270623196509236,1.2048605988017858,0.8288663868169139,0.14997165237684323,0.7056017674174894,0.4214983347921654,0.2802312653881066,0.16108338960086785,0.1014243326132065,0.06693669993343254,0.0552577591211276,0.029994330475368647,15.591249338489726,28.321194464675887,26.878431372549027,27.23999999999999,17.66722994011976,222.15151137724553,0.5376292875341285,0.9765929125750306,0.9268424611223802,0.9393103448275859,0.6092148255213711,7.660396944042949,2.647700000000001,46.35000000000002,47.84263122398138,66.45415428813457,95.68526244796276,8.69866022254207,47.84263122398138,0.11863411156483256,0.010784919233166596,-2.3448823367005476,82.02056027994611,7.456414570904192,4.847666946052425,95,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,3.0,0.0,0.0,0.0,3.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.446157407407409,0.498842592592593,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.7829861111111116,0.8027777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.477731481481482,0.0,3.1895833333333337,0.0,0.0,0.0,1.5543518518518515,0.0,0.0,0.498842592592593,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.446157407407409,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.446157407407409,0.498842592592593,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.265625,0.4013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1513425925925924,0.0,0.8222685185185185,0.0,0.0,0.0,0.36685185185185176,0.0,0.0,0.498842592592593,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.446157407407409,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.446157407407409,0.498842592592593,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4013888888888889,0.4013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1750462962962964,0.0,1.2446296296296298,0.0,0.0,0.0,0.636574074074074,0.0,0.0,0.498842592592593,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.446157407407409,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.166666666666664,2.106060606060606,0.4013888888888889,11.446157407407409,0.22916666666666669,0.36685185185185176,4.926021898148147,1.1678240740740737,4.446157407407408,9.847777777777779,1.1678240740740737,4.446157407407408,9.847777777777779,5.33333,0.48485,0.0,0.01515,0.47816,0.7697,0.43333,0.47816,0.7697,0.04483,0.0,-0.04483,0.0,0.62992,0.08437,0.0,0.34375,0.375,0.0,7.25,0.65909,5.75,0.52273,1.5,0.13636,-4.25,-0.38636,0.0,0.0,11.86001,1.07818,14.27203,2.41202,0.21927,4.44489,0.40408,5.10903,0.66414,0.06038,0.30497,0.02772,0.39097,0.03554,0.20689655172413793,11.01,1,1,1,1,0,0,0.9,1.1242592373746325,1.967859011399121,3.1585253911570796,3.365421942881218,3.434387460122597,3.5983490981282342,32.60351788386434,57.06791133057451,91.59723634355531,97.59723634355532,99.59723634355531,104.3521238457188,0.23142520287795176,0.405077544225231,0.6501724470155394,0.6927614468349398,0.7069577801080732,0.7407087639365579,3.7337217577529405,2.8901219837284517,1.6994556039704931,1.4925590522463548,1.4235935350049758,1.2596318969993385,0.2291184642226998,0.4010399198955608,0.6436918308274165,0.6858563233289007,0.6999111541627285,0.7333257239011239,9.465905525546166,19.589102813840025,20.789086196120916,21.75568275225885,22.583268959155397,23.792727582947176,40.80778379514381,24.522887389359,24.359160438071797,22.66400113108726,21.481388305517232,19.387611380193974,9.090909090909092,3.6,2.2145328719723185,2,1,0,2.45,1.4247,0.7211247851537042,2.8888455168024434,4.8396627537607655,0.0,1.6509636244473134,6.83080311045136,0.0,3.1473451902649443,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.459,0.463,0.631,0.34199999999999997,5.056,15.0,17.0,19.0,18.0,15.0,5.0,2.0,0.0,0.0,113.0,2.5649493574615367,2.8903717578961645,3.044522437723423,3.2188758248682006,3.044522437723423,2.9444389791664403,1.9459101490553132,1.6094379124341003,0.0,0.0,4.890349128221754,1.168141592920354,0.5,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.09090909090909091,4.0,0.36363636363636365,0,3.0,6.0,1.0,3.0,1.5555555555555562,1.0625,0.4933333333333334,0.23611111111111113,0.0,0.0,0.0,0.0,0.0,0.2727272727272727,0.10370370370370376,0.07589285714285714,0.04933333333333334,0.0787037037037037,0.0,0.0,0.0,0.0,0.0,0.5803608706108707,28.179417009029645,40.785173161338264,56.35883401805929,5.123530365278118,28.17941700903236,0.0198784015398612,0.0018071274127146547,-4.309933635068575,145.8635004483266,13.260318222575144,5.480938381549435,17.07,175.3136142584279,4.459431618637298,3.970291913552122,4.762173934797756,5.60947179518496,6.421622267806518,7.271703706887368,8.08794755464267,8.938662873666118,9.755741320381864,10.606609816118151,87.4242251830375,3.1354942159291497,0.0,4.418840607796598,0.0,5.8998973535824915,0.0,7.47477218239787,0.0,9.094143577573671,9.318656515459642,154.135765196,5.315026386068966,21.233989686731533,1.9303626987937756,2.5179061621686607,2.5179061621686607,0.0,150.0,14.0,2.798,52.0,1.2466202430318696,2.1332196107659103,2.9007492996011375,3.564606699288043,4.19843330241828,4.482673200172926,5.052483968162963,5.980570328321385,0.0,0.0,91.02242885345417,110.32205475783033,108.66099282011197,92.45120089839793,59.02075670211757,54.28913202322862,40.8748168994393,6.07664221007554,0.0,0.0,308.40317964928977,399.53877833373656,432.0741998318543,392.2193890728044,371.94190543067145,341.2980500071416,426.6241022745886,185.8985196367466,0.0,0.0,9.236987265885013,15.519613500202832,21.192006921192597,25.87473526657845,30.992355611314174,30.815975008410398,35.23126294689099,40.180246450295414,0.0,0.0,2.2443400270515808,3.0627875696918108,3.4845037684460825,3.353888255583169,3.4217022073268146,3.4082411602879583,4.402051834149792,2.659038746328709,0.0,0.0,177.6258747784914,324.3550400189817,456.5393120829843,590.7686262364931,715.500990311982,775.0753958720491,831.8327596456173,1105.9130228790825,0.0,0.0,2.9408258779071548,4.267637483181506,6.340071880007664,8.229608649699827,9.895445197018034,5.836131586686032,8.275015073389294,5.980570328321385,0.0,0.0,0.4741647487743924,0.6581555519828056,0.7734722235902125,0.7742231144740164,0.8067323784046647,0.7445634987154145,0.9607946384190307,0.61241040162011,0.0,0.0,372.58984529786613,243.01083845171524,12.293093588094079,94.49647266364124,-61.63256283692543,-16.953912660776624,278.0933726342249,304.6434012886407,29.247006248870704,0.7976894868681881,0.5202696570353016,0.02631867626040623,0.20231051313181198,-0.13195112009683096,-0.03629717251142817,174.03161895002793,113.50703775715036,5.741935820419078,44.13800947681042,-28.787726842030732,-7.918940639763135,0.20884776090281484,0.45818751510676514,5.063912919782053,22.00004114590881,419.0709521548192,48.015365806688216,0.8972023714669264,0.10279762853307377,768.2185076905544,27.716754999287964,9.158582361077386,942.5851571627315,30.701549751807832,9.804832952732687,1524.7239414261733,39.047713651712996,11.509693003381528,1.4385387232221714,1.4385387232221714,635.9096436770238,547.3943925695879,305.3606179916469,1.1617028824353244,2.082487413928469,1.7926162062737305,4.39460302767609,4.365764288431856,7.238594761885514,0.6580360925728204,5.020831264462131,9.307016414362272,8.602682324423213,21.330295342098786,18.52891413783701,11.663229262669192,14.577500355887352,12.87284884276918,11.614219368118029,5.750802969598286,1.105008788011381,2.722659650677463,3.132084600189338,0.0014225923881997769,6.904276121863684E-26,7.936665891673715E-70,1.8125701651072664E-135,8.013956252838963E-223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.421931398112944,8.80596797217238,0.5361842317118205,10.992247464399629,2.8862352084280785,4.2323840425949015,1.8603795623597819,1.9821000175720334,0.744478729910806,0.3368036965832082,0.16586707319764252,0.2242060068738784,0.02207359151799486,1.0019434508763398E-5,4.862738125639225E-28,5.589858681880828E-72,1.2766079878167003E-137,5.644294915216354E-225,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.360664722026952,8.244418825834886,1.828872870911564,11.932313995521662,5.141569397149494,4.915733475426257,3.0152399555264275,3.586871356362558,2.1812528365219177,0.9191882648791911,0.22862230597344818,0.7265870042343069,0.22991342113214444,1.0441023260592596E-4,5.067348045996247E-27,5.82506372688956E-71,1.3303239502982247E-136,5.881790479080831E-224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.739289844997389,9.546219135324133,7.983674707796973,21.294365580651455,17.239567006432434,11.6532709683291,13.859017343912313,12.658771993731582,11.353977370076342,5.847685170740704,1.001899226457561,2.5670151258133105,2.790640673761353,0.0012675042061835327,6.151585723152206E-26,7.071426421379886E-70,1.6149673844266396E-135,7.140290741677822E-223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.00507577440229,8.082040580677207,2.8213301469286005,12.856235058656553,6.968198566645933,5.584781377878753,4.164982605029053,4.702871543359551,3.2317055867329176,1.3187025620789434,0.3099878337392654,1.073714383155531,0.49936806601434486,2.2679297720735027E-4,1.1006957088534551E-26,1.2652816798426009E-70,2.8896413867509534E-136,1.277603488439004E-223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.06325249145766,9.900976831851306,11.036724118231446,24.979997156565396,23.679437294231995,14.24981334082376,19.697526340134743,16.567257185802788,15.567248159250369,8.030537443672685,1.5385706033350015,3.3019966790932673,4.567805159632576,0.002074717300719183,1.006923784900874E-25,1.1574881302662293E-69,2.6434632376138993E-135,1.1687602030552097E-222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.308569209460692,11.313948727758863,4.563294563771948,22.65972080998047,10.131382873336166,12.94569311518921,11.495263099511769,12.370038155848931,10.203544365223959,6.823418225378376,0.6055322980004925,2.0621001214368144,1.198444372967432,5.443014770452969E-4,2.6416616047092426E-26,3.036666724415494E-70,6.935118072469083E-136,3.0662389744096367E-223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.103920209786157,1.4188570043267876,1.0919608887569532,0.6204206645771225,0.21449934710358318,0.45625920402431497,0.4896011007409065,0.3998280501339561,6.614738102869898,11.85353264998277,24.826623533796607,0.43063099686568385,1.3456883548991776,2.858090106096615,1.3606688884557379,0.7152781649043916,0.5792599475297224,0.2757719174951557,0.22755903188574678,0.4298056513483562,0.12342512489860907,4.934037159456745,6.906500479566126,14.622193114248622,0.36888992129458376,0.780789808132712,3.400358087450118,1.1385526162207473,0.9037358698832038,0.6247618766892797,0.20919098839762953,0.3136201553747036,0.3237400207759947,0.27395171991226924,5.442646573554069,7.973463009657882,16.914910890289583,0.43714281503391955,0.9113118960629676,4.029889170906766,1.4188552636955156,1.1411858535393393,0.6115222763673887,0.21530656648200094,0.4402782954626306,0.5051419929183388,0.4653986793933158,6.5899302881416215,11.935859530569951,25.05089591398243,0.41728341455108303,1.4108189677742853,3.6493965301138713,1.1786643364441485,0.9022822644816592,0.636854800255521,0.20568826499405432,0.3606831484134265,0.3398778806142519,0.2779098185238989,5.730343131039679,8.657687231321496,18.269119511332924,0.45528220038328143,0.9784708475515773,4.184948072875912,1.463857814977585,1.1316565988170204,0.617206876537251,0.21589350547331154,0.4744972307127955,0.5218024543230936,0.43043072515236896,6.780462486670517,12.518677400180634,26.23185939525584,0.4258103148058765,1.426730410188258,4.0408273071863565,1.4255091246220697,1.1529218007044917,0.6104652765076227,0.2153578353568619,0.44277931493375955,0.5117193545624634,0.4764872551683461,6.619258232512918,12.062494639633314,25.32285476135449,0.41569791476143403,1.430985924664569 +UMLCN0212,L,4-hydroxy-4-methyl-2-pentanone,CC(=O)CC(C)(C)O,Ketones,Alcohols,C6H12O2,Marquardt (2015),IQT,PubChem,,11.5,0,-0.08530000000000028,0.0072760900000000475,31.652200000000004,20.16551599999999,0,0,20,8,12,0,6,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1389.7134959999987,1254.9535429999994,1861.8004219999984,1317.3413489999991,1277.6213299999968,318.662064,21.337344,0.0,0.0,3346.8878975958573,4067.1599235994636,5548.382092622317,5695.865700423148,4206.910305478232,2311.71231907141,652.7586330495353,0.0,0.0,152.568096,145.535468,254.7034880000002,336.63766800000013,364.8569599999999,187.2408960000001,141.087744,0.0,0.0,23.355162858187985,29.40693539600001,40.67694938849004,44.722427258000025,36.935918769714995,19.82375589,9.336871001829005,0.0,0.0,3350.6805324359884,2810.1907388180507,5393.580610748091,6769.4064672595505,8902.413281205216,3842.4358872292,3883.2706925092293,0.0,0.0,115.59027777777777,58.875,102.16666666666667,153.91666666666669,140.41666666666669,93.0,21.0,0.0,0.0,69.48567479999994,66.05018647368418,54.75883594117642,31.365270214285694,25.05139862745092,13.854872347826086,1.016064,0.0,0.0,167.34439487979287,214.0610486104981,163.18770860653873,135.61585001007495,82.48843736231827,100.50923126397436,31.083744430930253,0.0,0.0,7.6284048,7.659761473684211,7.491279058823535,8.015182571428575,7.154058039215684,8.140908521739135,6.718463999999999,0.0,0.0,1.1677581429093993,1.5477334418947373,1.1963808643673541,1.0648196966190482,0.7242337013669606,0.86190243,0.44461290484900023,0.0,0.0,167.53402662179943,147.90477572726581,158.6347238455321,161.17634445856072,174.5571231608866,167.06242987953044,184.917652024249,0.0,0.0,5.779513888888888,3.098684210526316,3.0049019607843137,3.66468253968254,2.7532679738562096,4.043478260869565,1.0,0.0,0.0,0.32126571634267165,-0.14983847060470096,0.07330927295344643,-0.23213940726147259,0.26856153855273646,-0.15447876306970865,0.0339529712583636,0.0,0.0,715.056216,-57.619608999999535,322.01831000000027,-1108.6428269999994,879.1112179999992,-876.2351999999997,483.83999999999924,0.0,0.0,931.2646052916531,-60.177187139977306,204.41321248422344,-1160.8426852987468,811.7217573710307,-876.4615154763671,615.7141154140106,0.0,0.0,1.933468799999998,-0.13838175999999924,0.23613343999999936,-1.8050332799999924,1.6422065599999907,-1.3894003199999947,0.48774095999999495,0.0,0.0,4.0971189448752,-0.20136995326563434,-0.28894528419783594,-3.2891970268909154,1.9059680679106341,-2.251903337406481,2.0768880614126344,0.0,0.0,23.016738037255177,-1.0360050604066093,-3.6199137103938206,-15.27132514666388,8.01497443095159,-9.870881842568464,10.274782310453594,0.0,0.0,52.873263888888886,-7.273003472222221,10.452256944444446,-49.950520833333336,48.1488715277778,-40.29210069444444,12.477864583333341,0.0,0.0,0.016063285817133583,-0.007886235294984261,0.0021561550868660715,-0.005527128744320776,0.005265912520641891,-0.00671646795955255,0.0016168081551601713,0.0,0.0,35.7528108,-3.0326109999999757,9.47112676470589,-26.396257785714273,17.23747486274508,-38.09718260869564,23.039999999999964,0.0,0.0,46.56323026458266,-3.167220375788279,6.012153308359513,-27.639111554732068,15.916112889628053,-38.107022412015965,29.319719781619554,0.0,0.0,0.0966734399999999,-0.0072832505263157495,0.0069451011764705695,-0.04297698285714267,0.032200128627450794,-0.06040870956521716,0.02322575999999976,0.0,0.0,0.20485594724376002,-0.010598418592928123,-0.008498390711701057,-0.07831421492597418,0.037371922900208514,-0.09790884075680352,0.09889943149583973,0.0,0.0,1.1508369018627589,-0.05452658212666365,-0.10646805030570061,-0.36360297968247335,0.15715636139120764,-0.42916877576384627,0.4892753481168378,0.0,0.0,2.643663194444444,-0.3827896564327485,0.30741932189542487,-1.1892981150793651,0.9440955201525059,-1.7518304649758454,0.5941840277777781,0.0,0.0,-0.490947828779375,0.13422876934470354,-0.3440845669586091,0.32782287388705433,-0.4181254094594123,0.10065239288935737,0.0,0.0,-0.08482161072493846,0.26490579489503774,-0.7382988132981778,0.48212922220775667,-1.0655716783167057,0.6444248573597454,0.0,0.0,-0.06801977349491062,0.12911804602466617,-0.5935823480819624,0.3418171978015518,-0.8183930151641835,0.6296753815192453,0.0,0.0,-0.07533869205767124,0.07184084042598025,-0.4445583280903495,0.33308144023271363,-0.6248739008896055,0.24024964871426716,0.0,0.0,-0.05173595756200802,-0.0414847156064683,-0.38228919384403987,0.18243025600686766,-0.47793994792009076,0.48277549578855217,0.0,0.0,-0.0473799389282758,-0.09251358740180307,-0.31594657687283145,0.13655832649859628,-0.37291885154984894,0.42514742734169425,0.0,0.0,-0.14479516802184414,0.11628535833969118,-0.44986748598634996,0.3571164141243431,-0.6626526664430058,0.22475783943523245,0.0,0.0,1.2954408974654883,0.6300204501685447,1.8481346499397158,0.37160419005125434,1.935313541020109,0.13715462899431607,0.0,0.0,1.110587134592506,0.6933731288535753,1.8533139521751687,0.32781020490600776,2.2072457226155393,0.0,0.0,0.0,1.4113851971624225,0.9973237355918404,1.5925429161365636,0.4709786168487702,1.6681722742073166,0.0,0.0,0.0,0.7855435784637442,0.6437115083765816,1.9747483063058695,0.26114036342248687,2.475256231521387,0.0,0.0,0.0,1.5371528427241783,1.2178002910838144,1.4297938407494775,0.5603310503946223,1.33742005259944,0.0,0.0,0.0,1.5478821112065206,1.266535040241759,1.398696694035855,0.5774039936883756,1.275442769184489,0.0,0.0,0.0,0.8211459530454768,0.5876867509440158,1.9213453104111453,0.24766466757446692,2.6560641859336296,0.0,0.0,0.0,30.476572725154224,15.488286362577107,23.513597539293187,30.851572725154217,3.856446590644277,15.488286990599654,0.49999999999998934,0.02774331078583009,0.003467913848228761,-2.8678084164883684,30.033167078033895,3.754145884754237,2.7218418721906525,30.481570126259292,15.49005064222834,23.515824010125108,30.855468494907335,3.856933561863417,15.49005126893135,0.49853115819738925,0.02770949008261986,0.0034636862603274823,-2.8687842577623623,30.032997116718263,3.754124639589783,2.7218373448813318,34.99870390841916,17.100357476151558,25.61843174980495,34.40021219133213,4.300026523916516,17.100357579686435,-0.7979889561160434,0.008924754845750171,0.0011155943557187714,-3.775141135965584,30.06335085993383,3.757918857491729,2.7226454803988793,30.486815270866686,15.491902435652282,23.518161078187173,30.859557471195096,3.857444683899387,15.491903060973543,0.49698960043788,0.027673979487717604,0.0034592474359647005,-2.869810140757241,30.032819047910742,3.7541023809888427,2.721832601582893,39.92735395466299,18.88138271299233,28.15382662975058,38.303912558154245,4.787989069769281,18.881382729250117,-2.1645885286783297,0.06642421049612568,0.00830302631201571,-2.169354938440374,31.09191686161226,3.8864896077015323,2.749558301933208,31.00131001664328,15.673789194199944,23.748511524214493,31.26101129546074,3.9076264119325925,15.673789698658595,0.3462683717566062,0.024123201921751936,0.003015400240218992,-2.9796649330204548,30.01700342312925,3.752125427891156,2.7214112014988596,35.90952668519802,18.336692093519915,28.995359610005824,36.54477800794935,4.568097250993668,18.336692137204345,1.2705026455026633,0.007791289230897558,9.739111538621947E-4,-3.883799147682497,24.03000217345802,3.0037502716822524,2.543442512156852,0,11.996355229082402,15.998258890633451,-0.4148635398145215,0.13244987740907377,4.174058448549243,7.88296771767013,7.0,19.0,18.0,18.0,6.0,1.0,1.0,0.0,0.0,1.0,14.076483999999997,3.6007951335511446,3.17854469592406,2.3335527931030464,2.2318889327732876,2.0427026920649194,1.8296773389822656,0.40871622688258746,0.08392307051869169,1.8484069524846798,1.5508607484182715,1.2496297225843553,1.1087297985673479,0.5739719947379894,0.21060529701319033,0.08392307051869088,0.08392307051869105,3.553711408427949,3.1092765152901443,2.4054545878412874,2.289405402677114,1.8198125750074792,1.601192775083551,0.508987343585575,0.27091390189293796,1.834888651794514,1.514647026428494,1.1345406859483502,1.0035787035701194,0.6570113687385712,0.3590064531346743,0.27091390189293674,0.2709139018929369,3.6938156142598584,3.308477853430054,2.70423698723352,2.587421560187215,2.3200192862154285,2.0846098899911993,0.961670697194231,0.9439184268026231,1.6550209651536165,1.2619470803644992,0.7603185604308984,0.6319333431742479,0.08898231454896274,0.11886807363121524,0.9439184268026217,0.9439184268026218,3.5507603744215435,3.10654665715761,2.4575399160416946,2.3373110424048984,1.7691727078418256,1.5495518974586728,0.5897217542527912,0.3992772455089826,1.827435994844166,1.4970716534418902,1.0582626705327118,0.9343005258139592,0.6849996844553878,0.401668551029841,0.3992772455089815,0.39927724550898164,3.7222929338465383,3.3516942169033173,2.8389820851496497,2.715299413546474,2.3736353811684237,2.1333944008728873,1.2076448229620897,1.2076448229620884,1.622834624240821,1.2112589745779543,0.6313372621875601,0.5081364096687935,0.027865122798069453,0.18104656390433532,1.1420836592824326,1.207644822962087,4.765074212308924,4.186031955314686,3.0798868047527312,2.819216595339618,2.6198314269883642,2.3538462333293197,0.62388236026611,0.5760000000000003,1.708709202801188,1.2518340009207825,0.891831426988366,0.8140971829567848,0.15102765263323692,0.4356745727341367,0.5759999999999992,0.5759999999999993,0,0,0,1,0,3,1,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9689084622436843,0.35355339059327373,0.0,0.0,1.037725521657497,0.15811388300841897,0.0,0.0,0.8164965809277261,2.041241452319315,1.0206207261596576,0.4070593619537591,0.7272784544105605,0.24805030880809809,6.784457050376173,3.4165022194363885,4.158631167129105,1.0206207261596576,1.2247448713915892,0.0,0.0,0.0,0.8480571312970216,0.4880717456337698,0.4158631167129105,0.2041241452319315,0.20412414523193154,0.0,0.0,0.0,5.562568667150369,2.634837724168458,2.691226058114173,0.6815558110428233,0.609222760613285,0.0,0.0,0.0,0.6953210833937962,0.3764053891669226,0.2691226058114173,0.13631116220856465,0.10153712676888083,0.0,0.0,0.0,10.680565031548955,19.988346686088853,19.05098039215687,19.360000000000003,11.751805988023948,154.47857245508985,0.5340282515774477,0.9994173343044427,0.9525490196078434,0.9680000000000002,0.5875902994011974,7.723928622754492,0.7363999999999999,31.595799999999983,17.033817453757575,25.438068607981563,34.067634907515156,4.2584543634393945,17.03381756689279,0.07469592539889064,0.00933699067486133,-2.0754637876245225,34.55960745133435,4.319950931416794,2.83414846832241,45,1.0,0.0,2.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5397916666666667,0.0,19.266597222222224,0.025462962962963465,0.0,0.0,5.559516796875001,0.0,0.0,0.0,0.0,0.0,0.0,0.5397916666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2659722222222223,0.9538888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.709097222222223,0.0,0.24305555555555536,0.0,0.0,0.0,0.0,0.0,0.0,0.025462962962963465,0.0,0.0,-0.8275462962962963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.967222222222222,10.299375000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5397916666666667,0.0,8.967222222222222,0.025462962962963465,0.0,0.0,5.559516796875001,0.0,0.0,0.0,0.0,0.0,0.0,0.5397916666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3767361111111111,0.44138888888888894,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4702083333333333,0.0,0.24305555555555536,0.0,0.0,0.0,0.0,0.0,0.0,0.025462962962963465,0.0,0.0,-0.8275462962962963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.967222222222222,10.299375000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5397916666666667,0.0,10.299375000000001,0.025462962962963465,0.0,0.0,5.559516796875001,0.0,0.0,0.0,0.0,0.0,0.0,0.5397916666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5125,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6194444444444445,0.0,0.24305555555555536,0.0,0.0,0.0,0.0,0.0,0.0,0.025462962962963465,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.967222222222222,10.299375000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.416666666666668,2.9270833333333335,0.5397916666666667,10.299375000000001,0.3559027777777778,-0.8275462962962963,1.9451436574074077,2.0775462962962963,3.2993750000000004,12.533194444444444,2.0775462962962963,3.2993750000000004,12.533194444444444,3.66666,0.45833,0.0,0.04167,0.53667,0.89167,0.42308,0.53667,0.82593,0.11359,0.0,-0.11359,0.06574,0.51402,0.20027,0.0,0.59091,0.13636,0.13636,5.5,0.6875,4.0,0.5,1.5,0.1875,-2.5,-0.3125,0.0,0.0,6.78451,0.84806,9.73928,2.95476,0.36935,2.41097,0.30137,3.41649,1.00553,0.12569,0.49751,0.06219,0.49751,0.06219,0.0,7.02,2,2,2,2,1,1,0.8333333333333334,1.295461844238322,2.3192407046368486,3.1086949695628423,3.108694969562842,2.8925985648184738,2.1282129458410015,25.909236884766436,46.384814092736974,62.173899391256846,62.17389939125684,57.85197129636948,42.56425891682003,0.29974164673650916,0.5366217701262548,0.7192842873161823,0.7192842873161822,0.6692842873161823,0.49242210863215824,3.0264662506490407,2.002687390250514,1.2132331253245203,1.2132331253245208,1.4293295300688889,2.193715149046361,0.29974164673650916,0.5366217701262548,0.7192842873161823,0.7192842873161822,0.6692842873161823,0.49242210863215824,12.01211118826268,21.967700641098478,22.763332410910053,22.763332410910056,20.170175553977636,14.649069611259648,29.38046564681149,18.06436998969682,17.868824514235364,17.868824514235364,16.572246085769155,13.314703609859265,8.0,2.52,7.2,8,1,5,1.9000000000000001,1.0284,0.944940787421155,1.5000000000000004,1.4422495703074083,2.080083823051904,0.0,1.0,1.0,0.0,0.4999999999999999,0.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-0.253,0.77,0.7610000000000001,0.8410000000000001,0.32299999999999995,3.8260000000000005,10.0,5.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,36.0,2.1972245773362196,2.5649493574615367,1.9459101490553132,2.302585092994046,0.0,0.0,0.0,0.0,0.0,0.0,3.784189633918261,1.1944444444444444,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.2857142857142857,6.0,0.8571428571428571,0,2.0,4.0,1.0,4.0,0.666666666666667,0.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5714285714285714,0.0666666666666667,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7880952380952381,17.033817453757575,25.438068607981563,34.067634907515156,4.2584543634393945,17.03381756689279,0.07469592539889064,0.00933699067486133,-2.0754637876245225,34.55960745133435,4.319950931416794,2.83414846832241,37.3,127.2763611563223,4.0,3.5553480614894135,4.174387269895637,5.056245805348308,5.68697535633982,6.577861357721047,7.2115567333138015,8.105005537547246,8.739536422559677,9.633841842570446,73.7407583867854,2.70805020110221,0.0,4.007333185232471,0.0,5.41610040220442,0.0,6.882437470997847,0.0,8.379079889286603,8.635687085464026,116.083729624,5.8041864812,14.279080744360847,1.784885093045106,4.686998008530482,4.686998008530482,0.0,66.0,5.0,0.183,34.0,1.230631578947368,2.134903112701372,2.957490916731581,3.4549390180606343,4.4823419005744665,5.206919328807147,0.0,0.0,0.0,0.0,92.60518958763153,131.52904505686126,95.92876753641578,92.36932776086701,61.08172285247333,5.290563280905104,0.0,0.0,0.0,0.0,288.70126148755304,379.2339955313234,411.4786678506719,309.37333164761736,458.8242775071616,161.85054968911223,0.0,0.0,0.0,0.0,9.445333734947368,16.15870501750534,23.6675134588143,24.715825218572505,35.89283208455694,34.982500061494974,0.0,0.0,0.0,0.0,2.0416808489548415,2.711786400191521,3.218156291093157,2.6638155761024884,4.010278052943607,2.31506352809535,0.0,0.0,0.0,0.0,179.5440951113046,334.4080717000467,475.3442165394693,597.9097461972966,740.6912670174191,962.8512965626959,0.0,0.0,0.0,0.0,3.8371820175438596,6.909836519538209,10.764090782086951,9.145386815695206,16.828825141920127,5.206919328807147,0.0,0.0,0.0,0.0,0.45535416315789484,0.6409316014778779,0.7898790791088063,0.6372608545594126,1.0160991267326402,0.5331885392698518,0.0,0.0,0.0,0.0,373.59279875252474,286.3784363334163,18.85042665107504,163.86576733555486,-125.61168838058195,-23.520603147528128,209.72703141696988,411.9901247139982,42.37102979860317,0.6951099532597267,0.5328381654009848,0.035073264881196074,0.3048900467402733,-0.23371418060159171,-0.043762635171533455,200.7906499183644,153.91654375030433,10.13132327803531,88.07106034309018,-67.51107792093026,-12.64134964119724,0.274842222188321,0.5083832535224102,4.037168409329681,15.231043118649009,458.4072919193457,79.05127416873395,0.8529165238836685,0.14708347611633174,541.9754971863248,23.280367204714036,8.153170995292895,666.5638261499444,25.817897399864776,8.735355426931205,1015.4190861670451,31.865641154181176,10.051135029078846,1.5768977449763066,1.5768977449763066,386.8907971313538,357.34961167059487,139.23409314959818,1.0826674620483148,2.778707343722663,2.566538148717968,3.8089514700817775,3.4956118018298206,6.535176610144487,0.8695372886438846,3.795458533487555,5.21246226398689,2.4335732208818373,12.934519733428049,7.5535002069414645,5.490125160028901,2.8977261993863714,5.78949208921689,5.102767599499001,0.19561582056730603,2.7608272878746183,1.7672201775104188,8.272359153694507E-10,7.468682654253776E-41,1.3005724090698303E-93,4.368184476704787E-168,2.8297189990568716E-264,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.35492534971196527,5.339376328883044,0.1580581388076791,7.4151785993094546,0.7803909978049399,0.20415538684141482,0.39906693294280315,0.40320602991594107,0.9101797087151294,0.003346493790371593,0.05919002463374888,0.012446676207467897,5.826290191127603E-12,5.260254261287676E-43,9.160037818752787E-96,3.076548043528143E-170,1.992994228313859E-266,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9789152901675671,5.103031569260308,0.5406479973509531,7.027999309197178,1.565335488855477,0.8114993592361635,0.5764149476156283,1.1186502655446702,1.3260911518395733,0.019415205807470855,0.3047424454784354,0.129703962519612,6.07144358848988E-11,5.481590507997092E-42,9.545465649768457E-95,3.206000264457293E-169,2.0768536465657312E-265,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.8106721544814945,5.339060220474009,2.265303686574619,13.826854919398944,7.910692459379813,5.037844597584978,2.697306216805002,5.842423872319619,4.744153345402065,0.17564577840070605,2.4872143990104094,1.574561361938276,7.370523074172513E-10,6.654461782194806E-41,1.1587866015706259E-93,3.8919737259492523E-168,2.5212286831935147E-264,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3682647815008444,5.013230115065579,0.8275979329739943,7.130771325625507,2.037301168096949,1.3587821313185284,0.800118558167456,1.5924247118441528,1.7286048411482258,0.03732776919832822,0.564137300269805,0.28173433849570584,1.3187986780731938E-10,1.1906747069823626E-41,2.0734026919681564E-94,6.963860981404942E-169,4.511203643289757E-265,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.76421905529326,5.292750686140172,3.089516331813311,15.62732136961779,10.33927866064835,7.505321688671044,3.9444646086522392,7.800675319878469,6.819779885001032,0.2788657597763198,3.896769015010605,2.5773245427670597,1.2064458376338852E-9,1.089237173268604E-40,1.8967626287877154E-93,6.370586530426236E-168,4.126879218682143E-264,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.4163345129906686,5.036404944006867,1.0427306645076364,20.54543855832487,8.780389422212956,2.502868760340994,1.7825954572715488,5.358965280070126,3.0784633539375315,0.07339680456453947,1.0874972544095143,0.5863212416136974,2.7445702305761483E-10,2.477929656297701E-41,4.3149871159155193E-94,1.4492587729432072E-168,9.388328506310925E-265,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7244193174090507,1.1726062729446358,0.7565512321823679,0.6587722134707579,0.2074096292935193,0.4932614942191029,0.46677945360982565,0.3565468718887065,5.6535768225360545,8.072128199080701,17.029774161229643,0.48815832020613686,1.316587819717635,2.612667693369873,0.8188360789101131,0.4937372877333612,0.6656069406756356,0.20860784507011368,0.24293194663535084,0.30437523430982105,0.12732682969877432,3.9252410600133474,3.8336079349064347,8.815124167683228,0.4984104110134534,0.6746340106439462,3.167306399190892,0.8860900309620948,0.5453595445588628,0.6887311300289966,0.19268037613533423,0.35566926777864044,0.2648071255100044,0.1843224488236177,4.59875597471185,5.017077056390252,11.146394750405582,0.5330966950434949,0.8047988421122625,3.6132679942133628,1.1503359884404505,0.7812198836008394,0.651647028177652,0.20746123162564312,0.4635802719986006,0.44656134970307854,0.3794754221020943,5.544823866254653,7.87789435847298,16.66983696051996,0.477470542266478,1.2896170438037733,3.427379778324267,0.9709992536054634,0.5551496852019566,0.6919067141915899,0.19602172694533504,0.4173817603252517,0.318722584662183,0.19146896001240712,4.953528717131687,5.769741941549998,12.570799488169373,0.5378600712873848,0.9275733049998418,3.7705930316123757,1.2074887581537848,0.7948056272068997,0.653155476499737,0.20916547837111918,0.505588668840665,0.49498763665595774,0.3936495159883301,5.77288741697306,8.50955611644728,17.901152778374943,0.4797332147496056,1.394225821484953,3.6242856155521275,1.1560242219677792,0.778774197343859,0.6519573355650751,0.20795228399458968,0.46633953271994366,0.450684945252099,0.37634071588465073,5.559084034863766,7.91254391567718,16.734506457151095,0.47793600334761255,1.2933651938566935 +UMLCN0213,L,"2,4-dimethyl-3-pentanone",CC(C)C(=O)C(C)C,Ketones,,C7H14O,NREL (2014),IQT,PubChem,,14.4,0,1.2048000000000003,1.4515430400000007,35.5192,22.457101999999985,0,0,22,8,14,0,7,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1280.0417439999985,1227.2479469999996,1624.297176999998,1704.943479999998,983.5990119999998,302.76288000000034,36.578304,0.0,0.0,3616.181511242691,4450.14354175906,6008.341344237444,6425.16983535618,5104.608180618887,3126.683726063614,1119.0147995134885,0.0,0.0,160.193824,154.92382800000001,281.5903240000001,354.919936,385.34900799999986,251.4447360000002,241.86470400000016,0.0,0.0,26.39008466788598,33.662360340000006,47.58013243818804,51.87000289018806,43.83716998413104,32.060418298188,16.00606457456401,0.0,0.0,3661.8589067719868,3057.8251329356012,6169.4648325831895,7691.117356238691,8692.784896580932,5893.95296940059,6657.035472872964,0.0,0.0,85.33333333333334,53.44444444444444,81.11111111111111,139.33333333333331,142.99999999999997,60.0,36.0,0.0,0.0,58.183715636363566,58.44037842857141,41.648645564102516,35.519655833333296,19.286255137254898,8.41008000000001,1.016064,0.0,0.0,164.37188687466778,211.91159722662192,154.06003446762676,133.85770490325373,100.09035648272327,86.85232572398928,31.083744430930235,0.0,0.0,7.281537454545455,7.377325142857144,7.220264717948721,7.3941653333333335,7.555862901960782,6.984576000000006,6.718464000000004,0.0,0.0,1.1995493030857263,1.6029695400000004,1.2200033958509753,1.0806250602122514,0.8595523526300204,0.8905671749496666,0.4446129048490003,0.0,0.0,166.4481321259994,145.61072061598102,158.1914059636715,160.23161158830607,170.4467626780575,163.72091581668303,184.917652024249,0.0,0.0,3.8787878787878793,2.544973544973545,2.07977207977208,2.9027777777777772,2.8039215686274503,1.6666666666666667,1.0,0.0,0.0,0.13046103109814464,-0.055451428024037804,-0.019467618836482015,0.07642927993774351,-0.06591356123745166,-0.0210877070542178,0.020260519665373452,0.0,0.0,687.3645010909095,-46.521080404958184,169.5222392479341,-141.21979292561957,-480.4544085289249,-474.7271690578513,629.717961123966,0.0,0.0,1066.904040045413,-96.33311012117048,158.14182752454582,-501.81698530152926,-163.6442418720145,-899.2387879909921,969.4392777384548,0.0,0.0,1.0856923636363645,-0.0032179834710732904,0.14619808264462772,0.014169388429754647,-1.0217384793388344,-0.018888595041325423,0.3406314049586708,0.0,0.0,4.734521862504001,-0.45949282388099255,0.2591667854010048,-3.0176858337999937,1.062849206403995,-4.022745825119997,3.810647559743988,0.0,0.0,26.121623681263046,-2.5442790463419414,0.6682170227917072,-17.74619715623802,8.504461301726106,-21.820167808198505,19.87715384562909,0.0,0.0,34.82828282828281,-2.3865932047750236,1.9559228650137763,4.071625344352611,-27.79889807162538,-2.8099173553718995,9.553719008264471,0.0,0.0,0.005930046868097483,-0.002640544191620848,-4.991697137559491E-4,0.0015922766653696564,-0.0012924227693617972,-5.857696403949389E-4,5.627922129270404E-4,0.0,0.0,31.243840958677705,-2.2152895430932467,4.346724083280361,-2.942079019283741,-9.420674677037743,-13.186865807162537,17.492165586776835,0.0,0.0,48.49563818388241,-4.587290958150975,4.054918654475534,-10.454520527115193,-3.2087106249414608,-24.978855221972005,26.92886882606819,0.0,0.0,0.04934965289256202,-1.5323730814634717E-4,0.0037486687857596853,2.9519559228655514E-4,-0.020034087830173224,-5.246831955923729E-4,0.009461983471074189,0.0,0.0,0.2152055392047273,-0.021880610660999646,0.0066453021897693535,-0.0628684548708332,0.02084018051772539,-0.11174293958666658,0.10585132110399967,0.0,0.0,1.1873465309665021,-0.12115614506390197,0.017133769815171982,-0.36971244075495874,0.16675414317110013,-0.6061157724499585,0.5521431623785857,0.0,0.0,1.583103764921946,-0.11364729546547732,0.050151868333686574,0.08482552800734607,-0.5450764327769683,-0.07805325987144165,0.26538108356290196,0.0,0.0,-0.44528217910493595,-0.08417635220412618,0.2685099630385385,-0.2179447815690605,-0.09877993436211566,0.09490518801036038,0.0,0.0,-0.07090323965043642,0.13912259024200085,-0.0941650875503706,-0.3015210162379614,-0.4220628899181488,0.5598596411341205,0.0,0.0,-0.09459182577940725,0.08361408997445036,-0.2155765120045325,-0.06616493245794382,-0.5150742655918643,0.5552843479234393,0.0,0.0,-0.0031051344673073294,0.07596140126701245,0.0059817156754723,-0.4059620819175562,-0.010631953110889117,0.19173353643790875,0.0,0.0,-0.10167308305286878,0.030878862199952985,-0.2921321407578909,0.09683849493251151,-0.5192382129177648,0.4918615082825642,0.0,0.0,-0.10203941469831951,0.014430302669284816,-0.3113770336735748,0.1404426920213107,-0.5104792549118573,0.4650227612398381,0.0,0.0,-0.07178764777372672,0.03167945743351781,0.053581786542923386,-0.3443087211682823,-0.049303944315545245,0.16763341067285406,0.0,0.0,1.2171268867847786,0.824455996481385,1.1999721375317536,2.025006384112283,0.3447934256526381,0.0,0.0,0.0,1.2444840163295905,0.8660154460337358,1.1650273782746434,1.3879407060257827,1.2329150860351412,0.0,0.0,0.0,1.4932141706837747,1.0399729733599719,1.2625905235424766,0.8883273181594447,1.477069947178642,0.0,0.0,0.0,0.5326039119067377,0.5147623370856867,1.2431905622687682,2.6384651008967994,0.15290887691607902,0.0,0.0,0.0,1.5675673720551395,1.1158416664789448,1.3499318862200576,0.7097748732327773,1.488000308909134,0.0,0.0,0.0,1.5714138543323581,1.1288272107642225,1.3765356424265722,0.6894519100700012,1.465008044143625,0.0,0.0,0.0,0.612529002320186,0.5479876851686604,1.2017292633410679,2.5852327009690192,0.20098607888631104,0.0,0.0,0.0,31.349571746655265,15.79978587332764,23.26388748846539,31.53707174665528,3.94213396833191,15.799786316109795,0.25000000000001243,1.1102230246251565E-16,1.3877787807814457E-17,-29.38944045574168,3000010.528592104,375001.316074013,11.931301084925543,31.351285364392787,15.800275471745735,23.264377086883496,31.5382345487168,3.9422793185896,15.800275914229712,0.24926557909868308,7.771561172376096E-16,9.71445146547012E-17,-27.83271233649743,3000010.528592104,375001.316074013,11.931301084925543,32.88990298648871,16.245454254215346,23.709555869353107,32.59065712794519,4.073832140993149,16.24545450832877,-0.39899447805801813,2.7755575615628914E-16,3.469446951953614E-17,-28.656407870242358,3000010.528592104,375001.316074013,11.931301084925543,31.353083893937324,15.800789347078132,23.264890962215887,31.539454994101526,3.9424318742626907,15.800789789249448,0.24849480021893733,8.881784197001252E-16,1.1102230246251565E-16,-27.725887222397816,3000010.528592104,375001.316074013,11.931301084925543,34.55936291426433,16.738534324962583,24.20263594010034,33.74764221600995,4.218455277001244,16.73853447306707,-1.0822942643391613,4.440892098500626E-16,5.551115123125783E-17,-28.280404966845772,3000010.528592104,375001.316074013,11.931301084925543,31.529311864945342,15.85122302541182,23.31532464054957,31.659162504354065,3.957395313044258,15.851223438342238,0.17313418587829865,3.885780586188048E-16,4.85722573273506E-17,-28.387230080945386,3000010.528592104,375001.316074013,11.931301084925543,39.41744516740238,19.737587552848872,29.786195670259424,39.67969006536157,4.959961258170196,19.737587561756097,0.5244897959183952,1.1102230246251565E-16,1.3877787807814457E-17,-29.38944045574168,3000010.256760338,375001.28209504223,11.931301012437324,0,11.89,15.994916388947786,-0.2986175939013064,0.13774251034439325,4.743995417974052,7.8093208947111385,7.0,21.0,20.0,20.0,6.0,1.0,1.0,0.0,0.0,1.0,16.262897999999996,3.629454124840013,3.1125998766762404,2.5337325764008316,2.3335527931030473,2.3335527931030464,1.2015911362239962,1.1628377907398872,0.08392307051869186,1.8884637526326273,1.6672472374891452,1.2496297225843551,1.2496297225843545,0.8719522218967295,0.4403442888895924,0.10448674845708815,0.08392307051869076,3.594744637995612,3.1507138345875365,2.4054545878412887,2.4054545878412874,2.391189927975529,1.2696909155890734,1.1461558085602883,0.27091390189293757,1.860582124336014,1.5885766696580867,1.1345406859483507,1.1345406859483507,0.9030430831443343,0.29000027673265216,0.11183825884834663,0.27091390189293646,3.7188072973468778,3.318028628441947,2.7042369872335197,2.704236987233519,2.6958622178731346,1.7027021271007738,1.6316507318297089,0.9439184268026233,1.6949721390007142,1.351217995158582,0.760318560430898,0.760318560430898,0.5649586002002646,0.21832409322109575,0.432110127985201,0.9439184268026208,3.595503091308513,3.178805544111844,2.4575399160416938,2.457539916041692,2.365706616617466,1.3465506406215002,1.1607324967802832,0.3992772455089827,1.8457270810910018,1.5379078067250216,1.0582626705327118,1.0582626705327114,0.9226898952683298,0.18889388699035936,0.07473121637088287,0.39927724550898147,3.7499228285849306,3.3987931143368826,2.8389820851496506,2.838982085149649,2.72763446024793,1.8911821136059472,1.7651668088431987,1.2076448229620886,1.6609379896600882,1.2757669623783676,0.6313372621875608,0.6313372621875604,0.5206587541393989,0.4010813803597149,0.5635483652428149,1.207644822962087,4.7120481998536565,3.3113175266993022,3.22248150060601,2.606496141942329,2.6064961419423276,1.7269935770041496,1.3880110311177223,0.5675675675675684,1.7691198917671493,1.477602749100571,0.9037934392396253,0.9037934392396251,0.512295614353796,0.10586275559613398,0.4770021485097829,0.5675675675675673,0,0,0,1,0,4,0,2,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8591167563965418,0.0,0.3849001794597505,0.0,0.6453916509336031,0.0,0.13608276348795434,0.0,1.8213672050459182,1.5396007178390023,0.9622504486493764,0.8412011207047578,0.9388321936425752,0.4388321936425753,6.732050807568878,3.5534180126147956,3.347150628109127,2.1031336922528343,0.769800358919501,0.0,0.0,0.0,0.8415063509461097,0.5076311446592565,0.37190562534545857,0.2628917115316043,0.19245008972987526,0.0,0.0,0.0,6.062948828843115,3.0908754911800607,2.711770003820686,1.138071187457698,0.6666666666666666,0.0,0.0,0.0,0.7578686036053893,0.44155364159715155,0.3013077782022984,0.14225889843221226,0.16666666666666666,0.0,0.0,0.0,11.507593730917977,21.5455207574654,20.427450980392162,20.720000000000002,13.070120958083828,169.35230658682636,0.5230724423144535,0.9793418526120636,0.9285204991087347,0.9418181818181819,0.5940964071856286,7.697832117583016,1.8675000000000002,34.682999999999986,16.807900482814905,24.272002097952658,33.6158009656298,4.201975120703725,16.807900625167548,8.326672684688674E-16,1.0408340855860843E-16,-27.77751803930787,3000010.528592104,375001.316074013,11.931301084925543,43,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.842592592592592,0.3518518518518523,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.026388888888889,0.8027777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.731481481481482,0.0,0.0,0.0,0.0,0.0,0.407407407407407,0.0,0.0,0.3518518518518523,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.842592592592592,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.842592592592592,0.3518518518518523,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3059027777777778,0.4013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9328703703703705,0.0,0.0,0.0,0.0,0.0,0.2037037037037035,0.0,0.0,0.3518518518518523,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.842592592592592,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.842592592592592,0.3518518518518523,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4013888888888889,0.4013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9328703703703705,0.0,0.0,0.0,0.0,0.0,0.2037037037037035,0.0,0.0,0.3518518518518523,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.842592592592592,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.333333333333336,2.416666666666667,0.4097222222222223,10.842592592592592,0.2638888888888889,0.2037037037037035,3.463537037037037,1.3148148148148144,3.8425925925925926,7.685185185185185,1.3148148148148144,3.8425925925925926,7.685185185185185,3.83333,0.47917,0.0,0.02083,0.4803,0.79583,0.42308,0.4803,0.79583,0.05723,0.0,-0.05723,0.0,0.60209,0.1122,0.0,0.6087,0.3913,0.0,5.25,0.65625,3.75,0.46875,1.5,0.1875,-2.25,-0.28125,0.0,0.0,7.36964,0.9212,9.55523,2.1856,0.2732,2.91328,0.36416,3.5534,0.64012,0.08002,0.3606,0.04508,0.3606,0.04508,0.0,7.01,1,1,1,1,0,0,0.8571428571428571,1.1433201021277661,1.5820239409642767,1.9585429818803033,1.9585429818803033,1.755841544669517,1.238646323946249,25.153042246810855,34.80452670121409,43.08794560136667,43.08794560136667,38.62851398272937,27.25021912681748,0.2563824720059592,0.3547590985255892,0.43919116815133274,0.43919116815133274,0.39373662269678733,0.27775878853474867,3.3161115165095314,2.8774076776730206,2.500888636756994,2.500888636756994,2.7035900739677805,3.2207852946910482,0.2563824720059592,0.3547590985255892,0.43919116815133274,0.43919116815133274,0.39373662269678733,0.27775878853474867,9.968326343312846,15.232772409350968,15.612237723810772,15.612237723810772,13.179820477281337,6.163702893593742,29.50877428514309,23.153221337591713,23.696596197812333,23.696596197812333,22.480387574547613,17.084850674711547,8.0,3.111111111111111,2.8125,8,1,5,2.12,1.1106000000000003,1.88988157484231,0.0,6.6038544977892535,0.0,0.0,0.0,0.0,2.381101577952299,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.455,0.443,0.52,0.149,3.431,9.0,8.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,36.0,2.1972245773362196,2.4849066497880004,2.5649493574615367,1.6094379124341003,0.0,0.0,0.0,0.0,0.0,0.0,3.784189633918261,1.1944444444444444,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.2857142857142857,6.0,0.8571428571428571,0,2.0,4.0,1.0,2.5,1.333333333333334,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.35714285714285715,0.14814814814814822,0.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5677910052910053,16.807900482814905,24.272002097952658,33.6158009656298,4.201975120703725,16.807900625167548,8.326672684688674E-16,1.0408340855860843E-16,-27.77751803930787,3000010.528592104,375001.316074013,11.931301084925543,17.07,135.78211908162785,4.0,3.4965075614664802,4.204692619390966,4.976733742420574,5.713732805509369,6.48768401848461,7.229113877793302,8.0040315078527,8.74623928838306,9.521421537856195,73.38015695915725,2.70805020110221,0.0,3.9318256327243257,0.0,5.332718793265369,0.0,6.80128303447162,0.0,8.297792626380861,8.55468163582723,114.104465068,5.186566593999999,14.335089041004249,1.791886130125531,2.406694893093821,2.406694893093821,0.0,65.0,8.0,1.2770000000000001,32.0,1.2333333333333332,2.1264459501939856,2.9304552966720094,3.558505909777096,4.383318477461033,5.013506067194686,0.0,0.0,0.0,0.0,82.6206136303809,100.52357550018053,111.99997600990349,77.38703648073289,39.08713088252169,5.094043028658101,0.0,0.0,0.0,0.0,286.2743890347336,357.8373310284175,412.17317648713805,382.74061466620276,397.46868753841994,155.83854129559785,0.0,0.0,0.0,0.0,9.129617831238093,15.455184861863955,21.751634345101618,26.84860625038818,30.695629803036056,33.68306002622907,0.0,0.0,0.0,0.0,2.113145198019999,2.767802116273751,3.2790224335098213,3.235517791373916,4.037719378411511,2.2290694960135147,0.0,0.0,0.0,0.0,177.4424220556013,331.75808087990276,466.6291139080481,601.2046047016511,711.2679420886196,927.0857703549677,0.0,0.0,0.0,0.0,3.177396825396825,4.684925862492678,8.733800724203146,9.931679622019669,7.5059696210379245,5.013506067194686,0.0,0.0,0.0,0.0,0.44970928571428576,0.6063184636682462,0.7598872636260782,0.7637807581734175,0.87852860944819,0.5133830212807357,0.0,0.0,0.0,0.0,355.54546160504947,185.5738217019976,8.658912585848919,120.83408830608907,-63.06828796972932,-16.39126802526719,234.71137329896038,248.6421096717269,25.05018061111611,0.7463491278569181,0.38955035273158467,0.018176499363719765,0.2536508721430818,-0.132390838316829,-0.0344080009906486,169.3745869723615,88.40357365768749,4.1249288803666015,57.56288860117749,-30.04444263668573,-7.808464884349623,0.26376466443445684,0.5720853235820379,0.44793232195127375,22.727814998682476,436.65153371877204,39.72801619236658,0.9166042786686011,0.08339572133139897,506.37716743117016,22.50282576547155,7.970606549101238,641.9956725761969,25.337633523598782,8.626686853774537,907.0552751473031,30.117358369340813,9.680057070942034,1.355712503214313,1.355712503214313,418.8892640241336,347.1166623339132,165.19694810626663,1.2067679529056368,2.535696142247578,2.101229267931891,3.986251514289315,3.2225616449242507,6.375709831261666,0.9784601611279753,3.9178227842013107,5.778211375643441,6.366004739453147,11.462967513021308,7.1281376765390725,8.633714945138353,6.747336255375733,9.202302242639812,3.6017390395342157,5.376140809252809,1.0865269922403606,0.3991874576998995,1.784937493637839E-17,1.643415283874626E-55,3.0735505571413186E-115,1.1504828786650491E-196,8.512294545170464E-300,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3452894823636683,5.778030904541793,0.3625330795516497,7.478337453997469,1.8812484525093849,1.9212485776292398,0.5354917016105248,1.2871922425501605,0.39922176162980455,0.2199952974536579,0.0076525021372730465,0.002811509904256726,1.2571460713614563E-19,1.1574708218648407E-57,2.164726788368424E-117,8.102944983998652E-199,5.99527864918269E-302,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0672586163758773,5.777925597254391,1.0093655325023325,7.890829441857677,2.300298650890701,2.2544092585427182,1.2707366555494377,2.5079451797246906,0.8024050183050746,0.8625073060066833,0.07974494340245529,0.029298100887885283,1.3100431328302148E-18,1.2061738378526102E-56,2.2558122147925653E-116,8.443893413668688E-198,6.247542590861882E-301,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.703215959569957,5.778250059026782,6.430116189288876,11.444585568717116,6.88127387078659,8.903708180788392,6.369941262619653,8.588436718077128,3.31705797556067,4.915452455373034,0.9680759912926088,0.35566883802226507,1.590347171633354E-17,1.4642534306354442E-55,2.738478211614947E-115,1.0250595321231997E-196,7.584301188290581E-300,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5653674090700591,5.777900666237733,1.463859684897266,8.31194248930091,2.7042165583580107,2.6807737001301017,1.8851212542453604,3.4605702635065736,1.1535619003567297,1.4252994100083696,0.1732166640359463,0.06363939013490609,2.8455887411531898E-18,2.6199707527582255E-56,4.8999255671084085E-116,1.8341264823489802E-197,1.3570497345399752E-300,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.7313614133048745,5.778365617228198,8.880928319297938,12.574924177395731,9.51178260789965,11.406779531844322,9.116395247366293,11.674935314509256,4.7564121997810975,7.246536300982288,1.5845974926287194,0.5821773907901598,2.603163583237667E-17,2.3967667407778895E-55,4.482484630474966E-115,1.6778711543424805E-196,1.2414381595301057E-299,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4454798167250553,4.6800180323080705,5.856886947422942,11.95720214895951,4.993846791014254,10.889279573825544,3.651610400551738,4.712659642044211,1.896079700840877,2.494973408922733,0.3500061539436378,0.12859143085876965,5.749871692434529E-18,5.29398203205778E-56,9.900918887504175E-116,3.706084364435987E-197,2.7420904999416904E-300,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.870060146282155,1.3118783739740132,0.9233950892448181,0.6338818472195611,0.21487415068236354,0.6073362070991958,0.46386696113858034,0.4737064418054448,6.105333609500986,9.86202479425937,20.655479790475315,0.4508227708293415,1.544909610043221,2.632773108653642,1.1097648016941335,0.4093400740099078,0.6341162044194671,0.26729224844159766,0.28083683903887535,0.33194163033932755,0.09314276019395663,4.151877984357683,4.4537296720373005,9.801600671742953,0.45117430662920066,0.7059212295721595,3.241264120397735,1.071532105984202,0.6295253209023549,0.6558181391857731,0.21680744478735664,0.42580329610709505,0.30946755866390685,0.22027302561822237,4.942321547284291,6.188132997380372,13.31687062633424,0.4837272087786596,0.9555438803892242,3.7808930084757852,1.338834403297295,0.8962126821778421,0.6284791652559014,0.22254782833417905,0.5796613725832319,0.48312483203775036,0.4462369646436383,6.015940093950923,9.650354270658166,20.20291367248936,0.4427187478838522,1.5090231692646208,3.498213729662406,1.088487692057542,0.7303403877210223,0.6579248113962463,0.20471678257726258,0.4960644557748069,0.3193393956988963,0.29644258114234,5.31704180944097,7.157615883623749,15.25562049860925,0.48688721709436933,1.1118464326160433,3.9323705374033016,1.3547242093782965,0.9570228124800159,0.6297720214396982,0.21696007426524122,0.6270876704444671,0.49466158095845775,0.5087979235338257,6.244117559261614,10.387147851679437,21.729591571227843,0.4446580321595474,1.6305471749367504,3.7832743850911927,1.345865426084149,0.8965719641591157,0.6278551856027336,0.22335376736625387,0.5804243994873419,0.4882124523535341,0.44656251768160377,6.025711775334457,9.690421147236195,20.281278497489275,0.4417827784041003,1.5151993695224797 +UMLCN0214,L,cyclohexanone,C1CCC(=O)CC1,Ketones,,C6H10O,Marquardt (2015),IQT,PubChem,,10.4,0,-1.058200000000001,1.119787240000002,23.1792,18.029929999999997,0,0,17,7,10,0,6,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1131.713366999999,1178.8195949999997,1497.134783999999,1140.027092999998,393.99986100000024,40.382496,0.0,0.0,0.0,3068.3296317696395,3991.197076276987,5596.711464212641,4996.136470206751,2275.49009917776,412.6972166983757,0.0,0.0,0.0,125.77945199999996,126.4533,241.25582400000016,330.42205199999995,226.59030000000018,72.69004799999999,0.0,0.0,0.0,21.822733048489987,29.208183100000007,43.906030724245035,42.56914462158405,21.727661521583986,4.626439210792,0.0,0.0,0.0,2795.3939425849903,2445.334942084001,5054.492007749246,7448.940218530585,5383.988344716584,1849.7097695862922,0.0,0.0,0.0,73.02777777777777,40.66666666666667,70.66666666666666,102.66666666666666,69.83333333333334,22.0,0.0,0.0,0.0,66.5713745294117,69.34232911764704,45.3677207272727,25.33393539999996,12.709672935483878,4.0382496,0.0,0.0,0.0,180.48997833939055,234.77629860452865,169.59731709735274,111.02525489348336,73.40290642508903,41.26972166983757,0.0,0.0,0.0,7.398791294117645,7.438429411764706,7.3107825454545505,7.342712266666665,7.309364516129039,7.269004799999999,0.0,0.0,0.0,1.2836901793229405,1.7181284176470593,1.3304857795225769,0.9459809915907567,0.7008923071478705,0.46264392107920005,0.0,0.0,0.0,164.43493779911708,143.84323188729417,153.16642447724988,165.53200485623523,173.67704337795433,184.97097695862922,0.0,0.0,0.0,4.295751633986928,2.3921568627450984,2.141414141414141,2.281481481481481,2.252688172043011,2.2,0.0,0.0,0.0,0.12333446824671615,-0.04076458121491732,-0.007829246847451815,-0.004284787249405692,-3.184518458453807E-4,-0.008470166965737852,0.0,0.0,0.0,565.0991890588234,3.339550858072471E-13,-119.92091411418659,-181.7805977439446,-65.0514721660902,84.20338949480947,0.0,0.0,0.0,855.8123208923039,-1.5631940186722204E-13,-334.5568134667574,-289.67688374386927,-37.33973879175759,233.66727555623305,0.0,0.0,0.0,1.038128470588235,4.9439619065339E-16,0.059946145328719405,-0.23575042214532832,-0.23160415224913483,-0.11165580622837387,0.0,0.0,0.0,3.828753554084117,6.106226635438361E-16,-1.8113596663024043,-1.2745444844851335,-0.04120684429586152,1.2127342180413423,0.0,0.0,0.0,21.257206825084104,4.707345624410664E-14,-10.35895070771412,-6.985079632855745,-0.10786108193120181,6.823288009958954,0.0,0.0,0.0,32.75163398692809,0.9035947712418302,1.0850634371395622,-7.492887351018833,-7.3085351787773885,-3.563052672049211,0.0,0.0,0.0,0.007254968720395068,-0.0023979165420539602,-2.3724990446823683E-4,-9.52174944312376E-5,-1.0272640188560667E-5,-8.470166965737852E-4,0.0,0.0,0.0,33.241128768166085,1.9644416812191005E-14,-3.6339670943692903,-4.039568838754325,-2.09843458600291,8.420338949480946,0.0,0.0,0.0,50.34190122895905,-9.195258933366003E-15,-10.138085256568406,-6.437264083197094,-1.2045077029599223,23.366727555623307,0.0,0.0,0.0,0.061066380622837355,2.908212886196412E-17,0.0018165498584460425,-0.005238898269896185,-0.007471101685455962,-0.011165580622837387,0.0,0.0,0.0,0.22522079729906572,3.591898020846095E-17,-0.05488968685764861,-0.028323210766336298,-0.0013292530418019847,0.12127342180413422,0.0,0.0,0.0,1.2504239308873002,2.7690268378886257E-15,-0.3139075972034582,-0.15522399184123878,-0.0034793897397161874,0.6823288009958954,0.0,0.0,0.0,1.9265667051134172,0.0531526336024606,0.03288071021635037,-0.1665086078004185,-0.23575919931539963,-0.35630526720492106,0.0,0.0,0.0,-0.33052059002170064,-0.03270171293795977,-0.013124452785518357,-0.001415945482946379,-0.11674987573587514,0.0,0.0,0.0,5.909672005784534E-16,-0.10932141082553787,-0.12152321501858518,-0.06312765732590014,0.2533108610181981,0.0,0.0,0.0,-1.8265617127857803E-16,-0.20138463206742174,-0.12787089732507112,-0.02392654376483962,0.4641606094563162,0.0,0.0,0.0,4.762379653967589E-16,0.029747134837834102,-0.08579022068219584,-0.12234394128578745,-0.1828433339090303,0.0,0.0,0.0,1.5948340756810718E-16,-0.24371500108296754,-0.12575752819455005,-0.005901999538865405,0.5384645790197515,0.0,0.0,0.0,2.2144704443745936E-15,-0.2510409385565018,-0.1241370930345934,-0.002782568098522566,0.5456779769975414,0.0,0.0,0.0,0.02758930353222911,0.017066998058816073,-0.08642763697642959,-0.12237271550974949,-0.1849431251247256,0.0,0.0,0.0,0.9974168275555414,0.7277081982716829,1.0303245846714544,1.1246514884963754,1.3800740934987148,0.0,0.0,0.0,1.021425458624853,1.052377745249849,1.0545401529189118,0.9706475511202746,0.6362920644053005,0.0,0.0,0.0,1.2568576506538311,1.2949442461281893,1.0189637327900867,0.7898963843367354,0.15601039266618322,0.0,0.0,0.0,0.48123886287676976,0.4958218587215201,1.136168349609733,1.3853714536623514,1.7382727197313896,0.0,0.0,0.0,1.3295885149882247,1.369879076048474,1.0079732910684465,0.7340578497832343,0.007639429424022267,0.0,0.0,0.0,1.3333191490984337,1.3737227596771748,1.0074095508029035,0.7311936855308792,2.893583919380263E-5,0.0,0.0,0.0,0.4454200758331672,0.49099254367663886,1.1415508104392562,1.3957551451323225,1.7586908800638603,0.0,0.0,0.0,21.80340356867394,11.026701784336964,16.34240115294485,21.98197499724536,3.1402821424636223,11.026767952380805,0.24999999999998934,0.10458354032263095,0.01494050576037585,-1.5804383686179737,23.460907935075383,3.3515582764393406,2.2087348807204186,21.805223129638712,11.027244354368703,16.34325659990519,21.983269971852067,3.1404671388360095,11.027310476126129,0.24926557909869196,0.10453459841983043,0.014933514059975775,-1.5807660239116934,23.463269715889066,3.3518956736984378,2.208805345314738,23.423482587894846,11.512244054918412,17.161762725367776,23.366483376743698,3.3380690538205284,11.512281088452957,-0.39899447805802346,0.05628673401887191,0.008040962002695986,-2.014107481271951,26.55099267056145,3.79299895293735,2.2953469949975034,21.807132806997437,11.027813803608188,16.344154555844067,21.984629092868108,3.140661298981158,11.02787987683148,0.24849480021894088,0.10448321999672555,0.014926174285246507,-1.581110156265291,23.465750465247865,3.3522500664639807,2.208879351741724,25.15000699984297,12.033856367751904,18.185005049875613,24.9953935335088,3.5707705047869713,12.033877430584011,-1.0822942643391613,0.004141583749866451,5.91654821409493E-4,-3.840673911214651,34.26687857878116,4.895268368397309,2.4739254739776566,21.994030250026455,11.083582217952374,16.43274715428683,22.117697525653803,3.1596710750934007,11.083643753675794,0.17313418587829332,0.09939210715252733,0.014198872450361047,-1.6160778013635477,23.718753752016415,3.388393393145202,2.21638622294857,21.61205300184392,10.665229930000855,15.847943996981538,21.6581377853661,3.0940196836237286,10.665345469068871,0.7724867724867721,0.1623268774212394,0.023189553917319916,-1.2727002503862512,21.315165112772853,3.045023587538979,2.141593157553774,0,11.900000000000002,15.994916136544763,-0.29918927547146906,0.13270295449648123,4.199872577365088,6.78235884943874,7.0,17.0,16.0,16.0,6.0,1.0,1.0,0.0,0.0,1.0,11.890069999999998,3.6495924697186126,2.939260656145044,2.7501294719454985,1.8180505463300851,1.4567974870365552,1.1564176785342066,0.08392307051869163,0.08392307051869152,1.944351963496589,1.3728744165178641,1.280702176916168,0.6662064014268074,0.5701249495808776,0.18434407573722747,0.08392307051869102,0.08392307051869116,3.6303503987844308,2.8688456238069784,2.792995693681242,1.6900884431740817,1.5561429069408654,1.2373306109435698,0.27091390189293746,0.27091390189293735,1.9099609989768802,1.2852290050479294,1.2591127222008798,0.5220817917883059,0.4648369659537935,0.2651635794818428,0.2709139018929367,0.2709139018929369,3.755273729361953,3.0683583974773008,2.9815376553220245,2.0946467190240563,1.962846700475498,1.7305525911563484,0.9439184268026223,0.943918426802622,1.7442719505268425,1.0189282736728764,1.0092955736080371,0.03761922851940033,0.004763632090392082,0.262390517661387,0.9439184268026206,0.9439184268026217,3.6368439518282947,2.8624517894557497,2.8246242639791572,1.6777584504238026,1.627873750349141,1.2984514004939716,0.39927724550898225,0.399277245508982,1.8899940594715798,1.2501985479261588,1.2285965048401604,0.4344779520431433,0.42534701847017153,0.22276377527591035,0.3992772455089814,0.39927724550898175,3.7935047292612203,3.1057898701411135,3.07248053427365,2.1726364484837752,2.1415484939179597,1.9091796337985913,1.2076448229620889,1.2076448229620882,1.7043401883863374,0.9653075397820894,0.9339036709558751,0.10334146731535755,0.13516428868844035,0.41751612124985227,1.2076448229620875,1.207644822962088,5.2253064568706975,3.5051318450576328,2.8803640172676013,2.5388454666784943,1.7718463241348823,1.5749216851150913,0.6545454545454551,0.6545454545454548,1.7695254810053398,1.135482687771248,0.9713505881212814,0.2440003809039655,0.1078192904901237,0.5863080877130115,0.654545454545454,0.6545454545454541,0,0,0,1,0,0,5,0,0,0.0,0.0,0.0,0.10206207261596577,0.10206207261596577,0.0,0.0,0.0,0.08838834764831843,0.036084391824351615,0.2886751345948129,0.0,0.0,0.0,0.10206207261596577,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.14433756729740646,0.15309310892394865,0.14433756729740646,5.112884175122364,3.393846850117352,2.7431821564919865,1.893846850117352,1.3067128222475324,0.9010475702906076,0.20412414523193154,0.0,0.7304120250174806,0.48483526430247886,0.3428977695614983,0.236730856264669,0.16333910278094155,0.11263094628632594,0.10206207261596577,0.0,4.443782196396601,2.9112309264184786,2.099335306374634,1.411230926418479,0.9461142625940433,0.6323921585058765,0.07216878364870323,0.0,0.6348260280566572,0.41589013234549693,0.26241691329682926,0.17640386580230988,0.11826428282425541,0.07904901981323456,0.036084391824351615,0.0,9.423938123346227,16.769847050254914,15.9764705882353,16.200000000000006,10.473011976047902,130.03849101796408,0.5543493013733075,0.9864615911914655,0.9397923875432529,0.9529411764705886,0.6160595280028177,7.64932300105671,1.5195999999999998,28.091999999999985,25.811642861587256,34.915999122773144,51.62328572317452,7.374755103310644,25.811642861597253,0.06330991500907165,0.009044273572724523,-1.9317993288185333,26.809138241686984,3.8298768916695693,2.302119965994836,45,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.463055555555556,0.4641203703703707,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6802083333333335,0.8027777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.23949074074074,0.0,0.0,0.0,0.0,0.0,0.0,0.4641203703703707,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.463055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.463055555555556,0.4641203703703707,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.265625,0.4013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8472222222222221,0.0,0.0,0.0,0.0,0.0,0.0,0.4641203703703707,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.463055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.463055555555556,0.4641203703703707,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4013888888888889,0.4013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2695833333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.4641203703703707,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.463055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.166666666666668,2.3095238095238098,0.5159722222222223,10.463055555555556,0.265625,0.4641203703703707,2.459993564814814,1.202546296296296,3.4630555555555556,6.92611111111111,1.202546296296296,3.4630555555555556,6.92611111111111,3.33333,0.47619,0.0,0.02381,0.5098,0.80952,0.43333,0.5098,0.80952,0.07647,0.0,-0.07647,0.0,0.58823,0.12606,0.0,0.1,0.15,0.0,5.25,0.75,3.75,0.53571,1.5,0.21429,-2.25,-0.32143,0.0,0.0,4.93047,0.70435,6.62679,1.69632,0.24233,2.70568,0.38653,3.39384,0.68816,0.09831,0.02016,0.00288,0.10616,0.01517,0.35294117647058826,7.01,1,1,1,1,0,0,0.8333333333333334,1.2210477851797181,1.7360411676599226,2.351593723348755,2.793345194191516,2.793345194191516,2.793345194191516,20.757812348055207,29.512699850218684,39.977093296928835,47.486868301255775,47.486868301255775,47.486868301255775,0.2987300025964772,0.4247234128075581,0.5753186792590904,0.6833934160822956,0.6833934160822956,0.6833934160822956,2.866415056070622,2.3514216735904174,1.735869117901585,1.2941176470588238,1.2941176470588238,1.2941176470588238,0.2928224811615021,0.41632431448034507,0.5639414911624011,0.6698790009953036,0.6698790009953036,0.6698790009953036,10.6631702634604,16.843090853222847,17.951569274706877,19.689974520003855,19.68997452000385,19.689974520003855,25.51725005415318,20.177181234846266,20.146261471710773,18.1821256170609,18.182125617060898,18.182125617060898,5.142857142857143,2.34375,1.5,0,1,0,2.0100000000000002,0.8611000000000005,0.0,0.0,0.0,0.0,6.083643418932058,3.041821709466029,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.405,0.403,0.748,0.387,3.744,8.0,8.0,8.0,8.0,2.0,0.0,0.0,0.0,0.0,48.0,2.1972245773362196,2.3978952727983707,2.3978952727983707,2.3978952727983707,2.3978952727983707,1.6094379124341003,0.0,0.0,0.0,0.0,4.0943445622221,1.2291666666666667,0.25,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0,3.0,4.0,0.3333333333333333,1.0,0.44444444444444464,0.1875,0.1111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.14285714285714285,0.05555555555555558,0.0375,0.1111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.3470238095238095,12.17044963408896,17.878314744586095,24.34089926817792,3.477271324025417,12.170468520160025,0.011449771148558052,0.0016356815926511503,-3.128849875344991,28.15073608229989,4.021533726042842,2.3363014519710346,17.07,106.1296757549612,3.807354922057604,3.4339872044851463,4.143134726391533,4.890349128221754,5.616771097666572,6.368187186350492,7.099201743553092,7.851271997109883,8.583542571957771,9.335650562941629,71.32209621867786,2.70805020110221,0.0,3.8501476017100584,0.0,5.209486152841421,0.0,6.652863029353347,0.0,8.12415060330663,8.388905171114706,98.07316494,5.769009702352941,13.676825320436386,1.9538321886337695,2.4906965282222497,2.4906965282222497,0.0,42.0,5.0,0.9199999999999999,30.0,1.2444698263484835,2.1087286058110384,2.8350078354868087,3.695313690219453,4.235300316210949,0.0,0.0,0.0,0.0,0.0,97.23481765095131,109.2384470935601,79.5853936486176,49.30817640570703,18.38643678102506,0.0,0.0,0.0,0.0,0.0,314.2360242476108,383.8965952078497,332.67724512182673,271.5598254755736,179.11468836093826,0.0,0.0,0.0,0.0,0.0,9.32708305356855,15.556294751971366,21.036218844256954,27.210694701721096,31.02018104255824,0.0,0.0,0.0,0.0,0.0,2.2459343204856386,2.9303353459677104,2.7759059519582108,2.55611432130617,1.9670920159626246,0.0,0.0,0.0,0.0,0.0,177.3715286141358,320.2171326723093,464.9822948270322,643.8436487779478,783.4302792692501,0.0,0.0,0.0,0.0,0.0,3.184182068269763,4.891493167540426,6.997292054180727,8.811029076833671,9.82718743282,0.0,0.0,0.0,0.0,0.0,0.4815922184974927,0.6475959660802636,0.6524698475532149,0.6373222345594314,0.5291296258367957,0.0,0.0,0.0,0.0,0.0,330.49708522904945,146.84625348333896,12.873815030809254,82.19477304911615,-36.520728979533914,-18.724079498768468,248.3023121799333,183.36698246287287,31.597894529577722,0.8008325790771607,0.35582541922685706,0.031194739543739556,0.1991674209228393,-0.08849394105303124,-0.04537060550913007,136.3934562586937,60.6022532312257,5.312918648194051,33.92111363039183,-15.071807508237107,-7.727275162894863,0.29852355669132213,0.6733234001881556,11.462947373180006,39.6740804974764,353.7690873089853,58.92277096918026,0.8572233258610478,0.14277667413895212,519.8922311059547,22.801145390220086,8.040895954221904,616.762591923831,24.834705392330125,8.51215144112012,821.9518488928259,28.669702630003435,9.367322207455397,1.1987658688602232,1.19406649937075,277.2006653837177,205.166840236549,115.89824084262668,1.351098769489829,2.3917590411067304,1.7702325656101752,3.466100759311425,3.6514738270365092,5.072376960027466,0.38913140290646525,2.7896254883124167,4.674753342800817,4.307000760678247,5.781813473293488,10.736381393737911,3.3282587078116004,5.83428929253223,1.8483911921671428,0.592289301617571,1.1440039118684678E-8,4.2621899671513033E-38,3.0627672899951395E-89,4.2449355697798614E-162,1.1347602395450553E-256,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.23468186209964229,5.0061564638302425,0.34134253808600795,2.4500222360136616,0.704119055851161,0.6460787241910662,1.1961350993066624,0.15957879383969678,0.0662057130894647,1.278858652226598E-9,4.7646152783012026E-39,3.4238051180870746E-90,4.7453269392155566E-163,1.2685253393711935E-257,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7562003256672972,4.388969183316692,1.1151443178793583,2.564541621990316,2.327675698253645,0.95348354311287,0.989990402738479,0.30392338600753427,0.11469038373886607,2.215352300570094E-9,8.253688865253669E-39,5.931018671885175E-90,8.220275894795077E-163,2.1974520202170816E-257,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6332136702942424,5.005347683543152,4.0516058650483675,5.479494157535032,10.098746594637362,3.3231044135810226,5.5880328978139415,2.157673238278802,0.743919572298327,1.4369113787389952E-8,5.353468811259664E-38,3.846949406174417E-89,5.331796647677797E-162,1.425300983175616E-256,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1142064014173725,4.154464121690918,1.656927213939202,2.8140693018522915,3.5361199294098555,1.2214428228608767,1.2117496967991797,0.3399063290934624,0.11356913724565865,2.193612778966697E-9,8.172694412431098E-39,5.872816864202298E-90,8.139609327516007E-163,2.1758881562421988E-257,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.3687480487365447,4.884427031244185,5.266942326924148,7.384348871276139,13.768762634538767,4.167517056857186,8.290138554648795,2.698647121096213,0.8650436526828299,1.670827815132038E-8,6.224966083255744E-38,4.473198672059106E-89,6.199765883533996E-162,1.6573273500796953E-256,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7929370395909952,8.732162908873681,2.7385866543727184,4.545918409269062,7.260053681346961,3.8843579289726904,6.090160407033574,4.388693279885252,1.7761553364889704,3.4308771862713184E-8,1.2782342936197228E-37,9.185264414821785E-89,1.273059685588195E-161,3.403155336579418E-256,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7872898777655484,1.5953649856957273,0.6224287233882553,0.44625532501594106,0.39833500377720443,0.5960670439249944,0.4467500138025537,0.443072423801546,4.005083586849531,4.956841238602827,10.736705445965768,0.2668854931897182,1.4858894815290942,2.123796314754932,0.9581806521060694,0.22747952366794677,0.641735681019782,0.2895281007162974,0.6965875031982401,0.17003525016295523,0.04213511184977524,3.309456490528948,2.7360671901894715,6.508440084133515,0.4626035215296729,0.9087578652109707,1.5700646188153689,1.3150571893319538,0.37269058310099756,0.481938316347847,0.4036626519270048,0.4025630573348834,0.3205855973949167,0.14027545382936216,3.2578123912483203,3.1399824936847143,7.167298361428005,0.32840145241227775,0.8634241085591622,1.75139516251038,1.6983584970833374,0.619397166353646,0.4304080230554313,0.41737418191863956,0.5819021463612646,0.5460414750971,0.40913018683383756,4.069150825947363,5.111264497370625,11.022810247252313,0.27167330746110635,1.537073808292202,1.4966001720578963,1.3992141079200198,0.43061203370180445,0.4499123175833541,0.42063583436850505,0.42409379206967573,0.350202192452774,0.210683487199344,3.3264263136797205,3.3410365509829543,7.569192054553447,0.3058222279277888,0.9849794717217937,1.839896655883682,1.6403975556757424,0.6592426263609239,0.44446920704491744,0.39627562693701207,0.6313565034995505,0.47060833866300295,0.4955373763525381,4.139536837920348,5.31252027354472,11.441758139970213,0.26111725097289423,1.5975022185150916,1.7763393482290117,1.7065838390656483,0.6230624135484719,0.4326219136921119,0.415633176773736,0.551188084064367,0.5521788089366525,0.4060848889602768,4.105985600843132,5.201550551663786,11.19633242862431,0.2723826356987719,1.5094517819612965 +UMLCN0215,L,2-heptanone,CCCCCC(C)=O,Ketones,,C7H14O,NREL (2014),IQT,PubChem,,30,0,-1.0317999999999998,1.0646112399999996,29.9531,22.457101999999985,0,0,22,8,14,0,7,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1280.0417439999985,1227.2479469999996,1382.1651589999983,1110.286344999998,871.2450240000002,674.4882950000001,477.73156600000004,127.119888,9.144576,3616.1815112426916,4450.14354175906,5558.086517358999,5261.104989367589,4194.76821912165,3187.9698741665256,2181.1715292113977,1120.9630566850935,279.75369987837234,160.193824,154.92382800000001,281.5428920000001,350.8367799999999,299.8491600000001,236.9642600000002,174.07936000000007,111.43007999999999,60.46617599999999,26.390084667885983,33.662360340000006,45.567283868490044,45.44269841728205,37.48454302898003,28.46301416958398,19.441485310187993,10.953247247094003,4.001516143641,3661.8589067719868,3057.825132935601,6158.531007206291,7977.410826950234,7052.408753968682,5573.453598930085,4094.4984438914885,2583.794028511344,1664.258868218241,82.77777777777777,51.25,82.33333333333331,106.58333333333333,79.33333333333333,67.16666666666667,57.5,39.0,9.0,58.183715636363566,58.44037842857141,35.44013228205124,23.13096552083329,20.743929142857148,20.439039242424247,19.90548191666667,8.4746592,1.016064,164.3718868746678,211.91159722662192,142.515038906641,109.6063539451581,99.8754337886107,96.60514770201593,90.8821470504749,74.7308704456729,31.08374443093026,7.281537454545455,7.377325142857144,7.219048512820516,7.309099583333332,7.139265714285717,7.180735151515157,7.25330666666667,7.428672,6.718463999999999,1.1995493030857265,1.6029695400000004,1.1683918940638474,0.9467228836933761,0.8924891197376197,0.8625155808964842,0.8100618879244997,0.7302164831396002,0.444612904849,166.4481321259994,145.610720615981,157.91105146682798,166.19605889479655,167.91449414211147,168.89253330091165,170.60410182881202,172.25293523408962,184.917652024249,3.7626262626262625,2.4404761904761907,2.1111111111111107,2.220486111111111,1.8888888888888888,2.0353535353535355,2.3958333333333335,2.6,1.0,0.13004266811253892,-0.04291362824495072,0.0071388986471208095,-0.03423433580746717,9.401880031328241E-4,0.0025796213113739685,0.017319698946783174,-0.02225578652924073,0.006404009616978407,687.3645010909095,-46.52108040495819,-72.60977875206592,-221.89078810743803,16.2949317355369,13.91071499999979,11.526498264462624,-201.82223856198357,157.42949028099142,1066.904040045413,-96.33311012117049,-292.11299935389945,-212.2517091852854,10.429215858678113,10.111499417203227,9.793782975728341,-205.4485190485728,242.35981943461354,1.0856923636363642,-0.0032179834710733043,0.0987660826446278,-0.34165461157024646,-0.02235160330578656,-0.041345454545455185,-0.06033930578512381,-0.2578611570247922,0.0851578512396677,4.734521862504001,-0.4594928238809924,-1.7536817842969945,-0.48708514102300093,-0.038301025172002456,-0.039038853741002744,-0.03977668231000259,-0.502546510764002,0.9526618899359967,26.121623681263046,-2.544279046341941,-10.26560835410628,-1.9721696266496436,-0.3713186060257143,-0.38318934242508784,-0.39506007882446137,-2.0984752476656485,4.969288461407275,34.27272727272726,-0.44972451790633533,4.24380165289256,-10.314738292011025,-1.7933884297520706,-2.6212121212121247,-0.20661157024793175,-8.110192837465565,2.1157024793388413,0.005911030368751769,-0.0020435061069024154,1.8304868325950795E-4,-7.132153293222327E-4,2.2385428646019622E-5,7.817034276890814E-5,7.216541227826322E-4,-0.001483719101949382,7.115566241087119E-4,31.243840958677705,-2.215289543093247,-1.861789198770921,-4.622724752238292,0.38797456513183093,0.4215368181818118,0.480270761019276,-13.454815904132237,17.492165586776824,48.49563818388241,-4.587290958150976,-7.490076906510242,-4.421910608026779,0.24831466330185983,0.30640907324858263,0.40807429065534756,-13.696567936571519,26.92886882606817,0.04934965289256201,-1.5323730814634782E-4,0.002532463657554559,-0.007117804407713468,-5.321810310901562E-4,-0.0012528925619834904,-0.0025141377410468255,-0.01719074380165281,0.009461983471074189,0.2152055392047273,-0.02188061066099964,-0.044966199597358834,-0.010147607104645852,-9.119291707619633E-4,-0.001182995567909174,-0.0016573617629167745,-0.03350310071760013,0.10585132110399963,1.1873465309665021,-0.12115614506390195,-0.2632207270283662,-0.04108686722186757,-0.008840919191088436,-0.011611798255305693,-0.01646083661768589,-0.13989834984437657,0.5521431623785861,1.5578512396694209,-0.021415453233635015,0.10881542699724513,-0.21489038108356304,-0.04269972451790644,-0.07943067033976135,-0.008608815426997157,-0.5406795224977043,0.23507805325987124,-0.3457106425480846,0.030967305501792285,-0.12065837676838771,0.0037870603345837232,0.0132244867463632,0.12208601170408531,-0.2510085398635329,0.12037776491054827,-0.07090323965043643,-0.059588998716043756,-0.14795635268890878,0.012417633467183374,0.013491837278884037,0.015371693949360122,-0.4306389832776075,0.5598596411341201,-0.09459182577940727,-0.1544484656147814,-0.09118161495803155,0.005120350460392282,0.006318281081006953,0.008414659667082628,-0.28242886266673756,0.555284347923439,-0.003105134467307343,0.05131674711204002,-0.14423210682371923,-0.010783886003185377,-0.025388072429022628,-0.05094539867423783,-0.34834578956570134,0.19173353643790877,-0.10167308305286875,-0.20894536341177547,-0.047153094395922246,-0.0042374800115829525,-0.005497049807736491,-0.007701296951005098,-0.15567954636022766,0.49186150828256403,-0.10203941469831948,-0.22168820993994404,-0.03460393924629804,-0.00744594687440735,-0.009779620315101835,-0.01386354883631718,-0.11782436398790762,0.4650227612398384,-0.013746789608858556,0.06984969053934571,-0.13794024462127924,-0.027409372236958524,-0.0509873268493959,-0.0055260831122899545,-0.34706749189507824,0.1508989095195991,1.1027793452150096,0.7472190640290676,1.270405729201954,0.7809342103053608,0.9256982949000019,1.1116379038216981,1.843255233899455,0.005021831879945489,1.244484016329591,1.0556946900391424,1.133228942915295,0.8737796490025099,0.8879168103604412,0.9126568427368216,1.4263326173289426,0.0,1.4932141706837752,1.2672145036951477,1.0157788155847673,0.891219281941331,0.8657209138928501,0.8210987698080087,1.0504922098712572,0.0,0.5326039119067376,0.5382867796881609,1.397899097232967,0.7966363483511479,0.9860991930076284,1.3176591711564691,2.2732771111454957,0.0,1.5675673720551395,1.3447647909265037,0.969033970009277,0.892000022064938,0.8647272446446242,0.8169998841590749,0.900908704029687,0.0,1.5714138543323581,1.3542130637093954,0.9621986663713215,0.8903577174388312,0.8668174505323986,0.8256219834461417,0.8790357323882257,0.0,0.5373563218390806,0.5007906549683739,1.3988588638373127,0.8036030061892133,1.011936339522547,1.2903542219274984,2.3283819628647224,0.0,38.48821105000338,19.369105525001682,31.202709859309095,38.67571105000337,4.8344638812504215,19.369105538475825,0.2499999999999858,0.12804977164303805,0.016006221455379756,-1.644268999744272,36.548146323071734,4.568518290383967,2.8789043749717202,38.49003605031271,19.369650814705704,31.20343008671905,38.67698523463673,4.834623154329591,19.369650828170187,0.24926557909869373,0.1280254744415097,0.01600318430518871,-1.6444208126319155,36.54564474203338,4.568205592754173,2.878849616152885,40.11561808631137,19.858311804126675,31.863084434097402,39.81637222776786,4.977046528470982,19.85831181157736,-0.39899447805802524,0.10524942543966426,0.013156178179958032,-1.8011378123520896,34.67768391383394,4.334710489229242,2.836877092152507,38.491951441914715,19.370223121066815,31.20418603335371,38.6783225420789,4.834790317759863,19.37022313452117,0.24849480021891424,0.12799997097900667,0.015999996372375834,-1.644580193431245,36.54302032905505,4.567877541131881,2.878792164552653,41.85664282726633,20.38717428146358,32.614538413859435,41.04492212901195,5.130615266126494,20.387174285658727,-1.0822942643391684,0.07795302705594848,0.00974412838199356,-2.0413190807436847,33.38002212043495,4.172502765054369,2.8063660647350073,38.679436323621445,19.426285254749867,31.278413532094604,38.80928696303016,4.85116087037877,19.42628526725877,0.17313418587828622,0.12548942444086802,0.015686178055108503,-1.6604270330915503,36.29137074620617,4.536421343275771,2.873263994016498,42.92529296530985,21.497241124426523,35.349472333853754,43.25068979070668,5.406336223838335,21.49724112625522,0.6507936507936556,0.16821380033339206,0.021026725041674008,-1.4260155901140423,42.151054762176884,5.2688818452721105,2.9930077665187644,0,11.98866241627653,16.005924974448885,-0.3851603005680042,0.2152914490992858,4.056381112126662,7.093772563532054,7.0,21.0,20.0,20.0,6.0,1.0,1.0,0.0,0.0,1.0,16.262897999999996,3.543250725364536,3.2536178389713144,2.7438055688917955,2.2015688774716904,1.9647640082107005,1.5100716444286086,1.1676413858162178,0.08392307051869152,1.884290478962308,1.663007588600789,1.4051193855110884,1.0817344432442066,0.7571705999803403,0.5537008284563791,0.2041293278465937,0.08392307051869079,3.5220740519851104,3.239123791288456,2.7716890431465893,2.258112232833542,1.8710028974999242,1.5338836566945042,1.2740545570795194,0.2709139018929377,1.8372192223093724,1.6218361248719295,1.3176531861042788,0.972265271475234,0.6476564138922443,0.424408863476495,0.30861863262359657,0.2709139018929369,3.659704981052681,3.410222094930374,2.9932037980464385,2.5541625555011205,2.2521254094046137,1.966074992350521,1.7562057629152896,0.9439184268026226,1.6535111165879404,1.395480873481263,1.0201832404495752,0.600266577028473,0.2084823489948777,0.07290952529487718,0.2074883800906327,0.9439184268026208,3.531321568117391,3.2479239524713406,2.8016943227230175,2.305977951344241,1.882879936692863,1.5589918096184137,1.3482291806425246,0.3992772455089823,1.8110467929454612,1.5957492398916613,1.2612988472937758,0.9008120779098083,0.5954701714493149,0.37845937139916885,0.25827922670862735,0.39927724550898125,3.7042414376316937,3.464434174049867,3.0882595026764457,2.682400735785012,2.3454149430785023,2.0970924763376555,1.9465497642407974,1.207644822962089,1.6061610723158466,1.3415213037628937,0.9288819648679748,0.47603675901575454,0.09013102774286191,0.19711850895426025,0.3724755959188311,1.207644822962086,4.903160990100087,3.438808138970856,3.0420515824256107,2.814291152204399,2.366652171321982,1.8257467564608894,1.4994248527025256,0.6000000000000006,1.7587097221806987,1.4147287869643472,1.0917057290345786,0.7651676828041484,0.39306811110468914,0.14997402058438958,0.4832184084865045,0.5999999999999993,0,0,0,1,0,2,4,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.14433756729740646,0.0,0.0,0.0,0.2886751345948129,0.20412414523193154,0.14433756729740646,0.10206207261596577,0.07216878364870323,0.051031036307982884,6.405777393935816,3.770055610029662,2.8896287658987125,1.385027805014831,0.8025858577612696,0.4330127018922194,0.2886751345948129,0.0,0.800722174241977,0.5385793728613802,0.4128041094141018,0.2770055610029662,0.2006464644403174,0.14433756729740646,0.14433756729740646,0.0,5.736675415210053,3.2647843170117525,2.159121884309159,1.1323921585058763,0.62394547894534,0.3010310363079829,0.1760310363079829,0.0,0.7170844269012566,0.46639775957310753,0.308445983472737,0.22647843170117526,0.155986369736335,0.10034367876932763,0.08801551815399145,0.0,11.507593730917977,21.5455207574654,20.427450980392162,20.720000000000002,13.070120958083828,169.35230658682636,0.5230724423144535,0.9793418526120636,0.9285204991087347,0.9418181818181819,0.5940964071856286,7.697832117583016,2.1557,34.822999999999986,20.479216967352045,32.49588583122389,40.95843393470409,5.119804241838011,20.479216971305924,0.07348346977903569,0.009185433722379462,-2.088555839218289,33.639794315006135,4.204974289375767,2.8125677766302264,65,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.318568594104308,0.3180092592592594,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4500935374149662,0.8027777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.787496220710506,0.0,4.242592592592593,0.0,0.0,0.0,0.0,0.0,0.0,0.3180092592592594,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.318568594104308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.318568594104308,0.3180092592592594,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2324546485260771,0.4013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6484722222222221,0.0,0.7716666666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.3180092592592594,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.318568594104308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.318568594104308,0.3180092592592594,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4013888888888889,0.4013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.139023998488284,0.0,1.2016666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.3180092592592594,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.318568594104308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.666666666666664,2.333333333333333,0.5338647959183673,10.318568594104308,0.2324546485260771,0.3180092592592594,3.6362886914210124,1.3486574074074074,3.318568594104308,6.915185185185184,1.3486574074074074,3.318568594104308,6.915185185185184,3.83333,0.47917,0.0,0.02083,0.4803,0.79583,0.42308,0.4803,0.79583,0.05723,0.0,-0.05723,0.0,0.60209,0.1122,0.0,0.34783,0.13043,0.0,5.25,0.65625,3.75,0.46875,1.5,0.1875,-2.25,-0.28125,0.0,0.0,6.51929,0.81491,8.40872,1.88944,0.23618,3.02767,0.37846,3.77005,0.74238,0.0928,0.14395,0.01799,0.14395,0.01799,0.0,7.01,1,1,1,1,0,0,0.8571428571428571,1.1433201021277661,1.8204381454113916,3.1403611636984845,3.447401504705915,3.226730915057127,3.2401607279446796,25.153042246810855,40.04963919905062,69.08794560136666,75.84283310353013,70.9880801312568,71.28353601478295,0.2563824720059592,0.40822201147860115,0.7042065967721036,0.7730584970286782,0.7235744801134867,0.726586032713918,3.3161115165095314,2.6389934732259057,1.3190704549388128,1.0120301139313823,1.2327007035801705,1.2192708906926177,0.2563824720059592,0.40822201147860115,0.7042065967721036,0.7730584970286782,0.7235744801134867,0.726586032713918,9.968326343312846,18.09374286271635,20.800458204538046,19.733437262360184,19.51103991828593,19.672197672936573,29.50877428514309,19.351371667885683,17.524719054433326,18.409749735661475,19.033824261023014,14.410726399940106,8.0,5.142857142857143,7.2,8,1,7,2.12,1.1106000000000007,0.16666666666666669,2.9557379384290847,0.894427190999916,0.0,3.965406456500188,1.8072040072196898,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.41900000000000004,0.403,0.5980000000000001,0.179,3.887,7.0,5.0,4.0,3.0,2.0,0.0,0.0,0.0,0.0,36.0,2.1972245773362196,2.302585092994046,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,0.0,0.0,0.0,0.0,3.784189633918261,1.1944444444444444,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.5714285714285714,6.0,0.8571428571428571,0,3.0,6.0,1.0,1.5,0.44444444444444464,0.25,0.16000000000000003,0.1111111111111111,0.0,0.0,0.0,0.0,0.0,0.21428571428571427,0.06349206349206352,0.05,0.04000000000000001,0.037037037037037035,0.0,0.0,0.0,0.0,0.0,0.4048148148148148,20.479216967352045,32.49588583122389,40.95843393470409,5.119804241838011,20.479216971305924,0.07348346977903569,0.009185433722379462,-2.088555839218289,33.639794315006135,4.204974289375767,2.8125677766302264,17.07,135.7821190816279,4.0,3.367295829986474,3.970291913552122,4.653960350157523,5.2832037287379885,5.973809611869261,6.610696044717759,7.3031700512368,7.942717540573791,8.635687085464026,68.74083215629574,2.70805020110221,0.0,3.7612001156935624,0.0,4.948759890378168,0.0,6.19644412779452,0.0,7.475905969367397,7.807510042216193,114.104465068,5.186566593999999,14.665959166031309,1.8332448957539136,2.373458674097885,2.373458674097885,0.0,79.0,5.0,2.1449999999999996,28.0,1.2333333333333332,2.1280022711909465,2.8896907522970667,3.608751466557091,4.9380095586356365,5.961721737468928,7.291460152525641,8.255697227737238,0.0,0.0,82.62061363038093,84.81333219040378,76.93234349915427,93.2597435421965,113.97455921419564,133.11587526706168,63.19201737544075,8.38831674800361,0.0,0.0,286.27438903473364,326.74767344139826,344.00101854539326,418.8097445844561,518.4318869020789,587.4762090972994,560.889036062629,256.6179827261238,0.0,0.0,9.129617831238093,15.450461985527271,21.179218931162755,25.844801250658698,35.52604755939649,43.22279348157556,54.02572321555074,55.465604619452435,0.0,0.0,2.11314519802,2.6203015455359977,2.8951624391469024,3.607671404513485,4.529154008828777,5.143273542537692,5.479572975151827,3.6705895259780905,0.0,0.0,177.44242205560133,332.3208192602347,476.8418875539982,592.745663672613,825.4367350155325,1005.5078829796034,1248.2046369497796,1526.6241471762717,0.0,0.0,3.0693849206349206,4.722156399259396,6.530114634112454,6.974510315019477,10.202687176584673,14.388748489467998,18.68399538010567,8.255697227737238,0.0,0.0,0.44970928571428587,0.5788037316469069,0.6567324846023376,0.8032983334867051,1.030066045334291,1.2029067579577208,1.3219950927082709,0.8453833961202933,0.0,0.0,393.8661833695326,207.24666803442594,12.893903147287343,178.2411308134518,-93.78789555314133,-19.297067512021663,215.62505255608082,301.0345635875673,32.190970659309,0.6884480823881884,0.36225138692797676,0.022537560397564358,0.31155191761181117,-0.16393409632785066,-0.033729803891039974,225.33372431504625,118.56733462254803,7.376696298930095,101.97305462662193,-53.656741027781976,-11.039993465910442,0.24625053081442175,0.5691509251668152,5.475182710494685,21.509040663670966,534.3158607870918,37.791453395892795,0.9339434185527551,0.0660565814472448,506.37716743117005,22.502825765471545,7.9706065491012374,641.995672576197,25.337633523598786,8.626686853774537,806.9568368468961,28.406985705049667,9.310009021497363,2.2478832648971716,2.2478832648971716,791.3023654866645,738.9006555231842,72.46033930366718,1.0709184781090455,10.920489375166603,10.197311558625131,4.3816739603152355,4.466158665423346,8.8702028863232,0.9860921993201056,3.917822784201308,5.7782554115880105,2.2518735195253656,18.93229315620408,6.81019079201928,0.16142726174636982,3.9083538388814096,9.710023547898546,10.413177766997464,0.5306346484953746,3.3348413758398343,3.678362393295448,5.006159901094356,1.515761749264779,3.01977103741482,0.0794657687014224,0.37105907536246463,1.1884540226720656E-17,7.3430962123929835E-56,8.750884604762261E-116,2.0114099780895995E-197,8.917131030324317E-301,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3452894823636678,5.778031214689812,0.15296871312273388,5.363040118877726,0.13718507906283114,0.003043962244039947,0.6309446739424693,0.3813551813565632,4.179301106665648,0.0256838245992744,0.028730175179374463,1.2387458850635218,0.33566326799903956,0.9391340404471002,0.044005440223648384,5.643797050130583E-4,0.002613399407528968,8.370378855961489E-20,5.1718027034239966E-58,6.1633195789916205E-118,1.4166524939195595E-199,6.280408295833618E-303,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0672586163758764,5.777928829242729,0.5175287733705615,6.142146545512256,0.6214837598855745,0.01629049348131382,1.2699699272766585,1.4502692260468955,4.413163223558361,0.09533043634619097,0.2544217523173162,1.256312141947518,0.8415201655841184,1.0568352393781795,0.2800497196738222,0.005844402238877035,0.027233636767986194,8.722580127513873E-19,5.38941716505218E-57,6.422654195746577E-117,1.4762611231455795E-198,6.544669666283457E-302,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7032159595699543,5.778289294258038,2.1007853874977926,17.972139927741843,6.340825811571006,0.1455200814221559,3.7222617278976124,8.997610035183081,10.770944907487124,0.4878973987631694,2.9735470329054223,3.8988086841377605,5.253090023128404,1.4804607276823996,2.7062173628169575,0.07080580258330492,0.3306069557701364,1.0588911378183479E-17,6.542566523497678E-56,7.796880635920604E-116,1.792130077972882E-197,7.945003208071814E-301,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5653674090700578,5.777907686549897,0.786752536802628,7.204226786100182,1.1512726402965674,0.030913056236969317,1.7188333577264174,2.39296804189865,4.755334645554035,0.15306511246726018,0.542715718983056,1.3848407964668015,1.146406575778628,1.1376336629529908,0.5523550250684218,0.012683267351682563,0.059155098199106956,1.8946609605927295E-18,1.1706534252134296E-56,1.3950863150782536E-116,3.2066364272676692E-198,1.4215897057304495E-301,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.731361413304872,5.778429839514778,2.8369423213037095,25.145079595644656,9.88940256801335,0.23012722884390394,4.669844671582733,13.293777577140041,13.103550591213937,0.7022973048652099,4.852966851090086,4.627778620687721,7.00865878373371,1.646465868298301,4.329890646458501,0.11587803894105714,0.5411547887006254,1.7332484992888766E-17,1.0709215710043411E-55,1.2762342774146622E-115,2.933452417570259E-197,1.3004797561728324E-300,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.465203933273034,5.413144136008887,1.1912574981209392,13.487357611524638,4.071786818617685,0.06532515618941956,2.592780550476177,5.082488300111737,13.264215859322647,0.24245596231191907,1.2115989069120814,6.560487731695189,6.355701569270169,1.729488714632376,1.1935861167901056,0.028629665386389138,0.13358126713048732,4.278434481619437E-18,2.6435146364614748E-56,3.1503184577144145E-116,7.24107592112256E-198,3.2101671709167552E-301,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.625333006202589,0.7879156697332578,0.4523383772727273,0.8601046902407753,0.08887349083646982,0.54758163948266,0.5081656169894653,0.5454357635546626,8.865587053208575,9.813754616185971,21.39704463229825,0.7901570353611629,1.601183020026788,6.564592810908691,0.5930353303243567,0.08784684778085255,0.906026564284935,0.08184906182459517,0.4120303624535745,0.2583426142256542,0.02057164891414438,7.2454749890139,4.521810535856979,12.1092764188635,0.8590398464274026,0.6909446255933731,6.964289876683761,0.5916479184369565,0.2342787439167064,0.8939789852804635,0.07594755748728671,0.4571699429868661,0.28782150315316696,0.1463128645376199,7.7902165390374245,5.890603224685166,14.646143682767907,0.8409684779206952,0.891304310677653,7.5752743675636545,0.8136267401019968,0.435977006720303,0.8583998860238934,0.0921969379696764,0.5404303763243518,0.5447657696360001,0.5066918396279763,8.824878114385955,9.820813783651737,21.332812544234503,0.78759982903584,1.5918879855883281,7.173709287010919,0.603136736375828,0.30400524078413627,0.8877417802277741,0.07463777226664639,0.48461874037990915,0.2987528817519305,0.24636492670652854,8.080851264170883,6.690929554957574,16.08712868712519,0.8316126703416612,1.0297365488383683,7.704904494882314,0.8236030366557832,0.4784843243879198,0.8554359344527427,0.09144041094185135,0.5590721345753626,0.555141013552921,0.6103123639611522,9.006991855926016,10.426539903393158,22.469889325963294,0.783153901679114,1.724525512089436,7.602142025648995,0.8201393419198868,0.4356623080645162,0.8582287609889768,0.09258800596982139,0.5442968772623676,0.553757631075507,0.5059606189944833,8.857943675633399,9.904086297861111,21.478304197024187,0.7873431414834652,1.604015127332358 +UMLCN0216,L,1-methyl-3-dodecylcyclohexane,CCCCCCCCCCCCC1CCCC(C1)C,Naphthenes,,C19H38,NREL (2014),Unknown,UML,,70,0,-2.4602000000000004,6.052584040000002,67.4852,58.77813399999995,0,0,57,19,38,0,19,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2779.6287309999966,3201.0876430000026,3922.5942210000053,3801.875803000003,3286.4516320000007,2878.7989580000008,2620.490724999999,2417.637611999999,2220.880882999996,9228.003421612637,12406.81255531698,17807.649948462793,19537.834552492062,17784.563338312993,15594.062543170437,13982.497371931782,12789.196560391067,11782.398215435933,398.5714359999998,413.73982000000035,811.9080840000008,1177.0527160000022,1191.548608000003,1045.2242480000032,940.0327240000031,836.8370400000024,773.9521400000018,69.88439038426196,95.30378377999993,148.07896132182913,174.0887980448836,163.0383242327695,142.99249639427896,127.95863308003355,116.26942679154361,107.24789793214767,9435.963542631463,8227.749578800205,17570.775605728002,27354.62436379235,28338.108042158634,24857.239880320085,22427.75433469277,19839.293267508707,18360.33811247013,83.30555555555556,102.33333333333333,176.61111111111114,235.33333333333334,230.41666666666669,203.33333333333331,181.58333333333331,163.33333333333331,151.08333333333331,48.76541633333327,56.15943233333338,34.408721236842155,22.630213113095255,19.21901539181287,19.191993053333338,19.4110424074074,20.146980099999993,20.007935882882848,161.89479687039713,217.66337816345577,156.2074556882701,116.29663424102418,104.00329437609938,103.96041695446958,103.5740546069021,106.57663800325889,106.14773167059398,6.9924813333333296,7.25859333333334,7.1220007368421125,7.00626616666668,6.9681205146199,6.968161653333355,6.963205362962986,6.97364200000002,6.972541801801818,1.2260419365659994,1.6719962066666654,1.2989382572090273,1.0362428455052595,0.9534404925892953,0.953283309295193,0.9478417265187671,0.96891188992953,0.966197278667997,165.54322004616603,144.34648383860008,154.12961057656142,162.8251450225735,165.71993007110314,165.71493253546723,166.1315135903168,165.3274438959059,165.40845146369486,1.4615009746588694,1.7953216374269005,1.5492202729044837,1.400793650793651,1.3474658869395713,1.3555555555555554,1.3450617283950617,1.361111111111111,1.361111111111111,0.07827361514926014,-0.003003019650930686,-0.02842996392083859,-0.013405553158307939,3.058613676728884E-4,-0.0011862351316476645,0.003791975701032412,2.5315527791217995E-6,-7.476789937654535E-8,1533.502780666663,-3.481659405224491E-13,-524.619372333334,-282.4873543333342,-40.35533633333377,-40.35533633333297,80.71067266666697,2.6290081223123707E-13,3.765876499528531E-13,2851.6139035634856,-9.208633855450898E-12,-975.5521249033061,-525.2972980248551,-75.04247114640577,-75.042471146406,150.08494229281672,8.881784197001252E-13,8.881784197001252E-13,0.3004026666666662,-6.0645932720149176E-15,-0.10276933333333925,-0.05533733333333406,-0.00790533333333158,-0.007905333333331913,0.01581066666666802,6.487865800153259E-16,5.655198531684391E-16,12.748040941420694,2.8699265186560297E-14,-4.361171901012301,-2.3483233313143215,-0.3354747616163376,-0.33547476161634293,0.6709495232326578,-5.800915303666443E-15,-4.912736883966318E-15,69.24756072035386,-1.3629097850298422E-12,-23.68995498328041,-12.756129606381347,-1.8223042294827545,-1.82230422948279,3.6446084589662355,1.0236256287043943E-13,1.0591527654923993E-13,4.158869395711497,-0.7733918128654914,-0.9288499025341143,-0.773314866112659,0.2431773879142235,-0.22363291269109042,0.2085257002154467,0.016415307274029775,0.015184159228477975,0.0013732213184080725,-5.268455527948572E-5,-2.4938564842840865E-4,-7.97949592756425E-5,1.7886629688473004E-6,-7.90823421098443E-6,2.8088708896536388E-5,2.1096273159348328E-8,-6.735846790679761E-10,26.90355755555549,-6.108174395130686E-15,-4.601924318713456,-1.6814723472222275,-0.2359961189083846,-0.26903557555555313,0.5978568345679035,2.1908401019269757E-15,3.3926815311067847E-15,50.02831409760501,-1.615549799201912E-13,-8.557474779853562,-3.126769631100328,-0.4388448605052969,-0.50028314097604,1.1117403132801238,7.401486830834377E-15,8.001607384685813E-15,0.005270222222222214,-1.0639637319324417E-16,-9.014853801170109E-4,-3.293888888888932E-4,-4.6230019493167134E-5,-5.270222222221275E-5,1.1711604938272608E-4,5.406554833461049E-18,5.09477345196792E-18,0.22364984107755603,5.034958804659701E-16,-0.038255893868528956,-0.013978115067347151,-0.0019618407112066524,-0.0022364984107756196,0.004969996468390058,-4.8340960863887025E-17,-4.42588908465434E-17,1.2148694863219975,-2.3910697982979688E-14,-0.20780662266035446,-0.07592934289512707,-0.010656749880016109,-0.0121486948632186,0.02699709969604619,8.53021357253662E-16,9.541916806237832E-16,0.07296262097739467,-0.013568277418692832,-0.00814780616257995,-0.004603064679242018,0.0014220899878024766,-0.0014908860846072694,0.0015446348164107162,1.3679422728358145E-4,1.3679422728358535E-4,-0.03836566951972541,-0.1816063041589776,-0.05810786521152032,0.001302530731842144,-0.00575889268901838,0.020454611736656293,1.5362616991560036E-5,-4.905142893126938E-7,-2.2703965386426635E-16,-0.17105263157894798,-0.06250000000000035,-0.00877192982456152,-0.009999999999999934,0.022222222222222362,8.143310034009145E-17,1.261053124331584E-16,-3.2292709205630668E-15,-0.17105263157894884,-0.06250000000000029,-0.0087719298245612,-0.009999999999999797,0.02222222222222247,1.4794595749107417E-16,1.5994157566602612E-16,-2.0188213837476787E-14,-0.17105263157895748,-0.06250000000000092,-0.00877192982455947,-0.009999999999998217,0.02222222222222416,1.0258684748935214E-15,9.667094170119613E-16,2.2512686708834755E-15,-0.17105263157894574,-0.06249999999999955,-0.008771929824561495,-0.010000000000000266,0.02222222222222188,-2.161457420715252E-16,-1.9789368341735397E-16,-1.9681700999313954E-14,-0.1710526315789579,-0.06250000000000183,-0.00877192982456024,-0.00999999999999887,0.022222222222223705,7.021506152370109E-16,7.854273165692776E-16,-0.1859620342160757,-0.11167096320599981,-0.06308798419766394,0.019490664791812638,-0.02043355987813509,0.021170221076477997,0.0018748535270678274,0.0018748535270678808,1.51367891714975,1.3640736695269309,1.059474940571242,0.936917429683202,0.9604413873652663,0.921111311342571,0.9617413084468115,0.9588859151491914,1.4736842105263204,1.3961218836565141,1.078947368421056,0.9566020313942782,0.9578947368421084,0.9169590643274884,0.9578947368421085,0.9559032716927484,1.4736842105263157,1.3961218836565092,1.0789473684210524,0.956602031394275,0.957894736842105,0.9169590643274853,0.9578947368421051,0.9559032716927452,1.4736842105263157,1.3961218836565124,1.0789473684210549,0.9566020313942769,0.9578947368421067,0.9169590643274863,0.957894736842106,0.9559032716927457,1.4736842105263122,1.3961218836565057,1.0789473684210502,0.9566020313942725,0.957894736842102,0.9169590643274822,0.9578947368421021,0.9559032716927424,1.4736842105263166,1.3961218836565097,1.0789473684210527,0.9566020313942751,0.9578947368421054,0.9169590643274855,0.9578947368421055,0.9559032716927457,1.7192406843215398,1.1385048043121644,0.999648464963676,0.8475900320287486,0.9313428638387637,0.84780876494024,0.8976798687602541,0.9098106777975548,222.16553719955306,111.08276859977647,177.31338951764775,222.16553719955297,11.692923010502785,111.08276859977647,-1.1368683772161603E-13,0.19364244077838044,0.010191707409388445,-3.1193096276092356,159.12257637994793,8.374872441049892,9.63238216910011,222.16553719955306,111.08276859977647,177.31338951764775,222.16553719955297,11.692923010502785,111.08276859977647,-1.1368683772161603E-13,0.19364244077838044,0.010191707409388445,-3.1193096276092356,159.12257637994793,8.374872441049892,9.63238216910011,222.16553719955306,111.08276859977647,177.31338951764775,222.16553719955297,11.692923010502785,111.08276859977647,-1.1368683772161603E-13,0.19364244077838044,0.010191707409388445,-3.1193096276092356,159.12257637994793,8.374872441049892,9.63238216910011,222.16553719955306,111.08276859977647,177.31338951764775,222.16553719955297,11.692923010502785,111.08276859977647,-1.1368683772161603E-13,0.19364244077838044,0.010191707409388445,-3.1193096276092356,159.12257637994793,8.374872441049892,9.63238216910011,222.16553719955306,111.08276859977647,177.31338951764775,222.16553719955297,11.692923010502785,111.08276859977647,-1.1368683772161603E-13,0.19364244077838044,0.010191707409388445,-3.1193096276092356,159.12257637994793,8.374872441049892,9.63238216910011,222.16553719955306,111.08276859977647,177.31338951764775,222.16553719955297,11.692923010502785,111.08276859977647,-1.1368683772161603E-13,0.19364244077838044,0.010191707409388445,-3.1193096276092356,159.12257637994793,8.374872441049892,9.63238216910011,236.65552922671867,118.2113960800125,188.68017531227636,236.5066372599597,12.447717750524195,118.2113960800125,-0.1885964912280116,0.15360146321570936,0.008084287537668914,-3.5594484711229954,150.88587484195642,7.94136183378718,9.531395135086516,0,11.89,12.110360320944858,-0.163181541186925,0.058006440377354584,5.127417400619545,9.382522274728414,19.0,57.0,57.0,57.0,19.0,0.0,0.0,0.0,0.0,0.0,41.54186599999999,3.683899716348753,3.5229866432951336,3.3933280176100236,3.2129892664968245,3.0173010685728148,2.8905654570545813,2.7501294719455007,2.5016184033634055,2.0259818495656994,1.934531850268319,1.8393903070978308,1.7057678631701463,1.5613106984846266,1.4872017460713367,1.3728744165178635,1.2254477879213481,3.7067567043636744,3.5512300925927445,3.4238245228562048,3.246469067245685,3.054004781429849,2.931374703812101,2.7929956936812452,2.5528769791701373,1.975266831898197,1.875160516914329,1.7750719745382544,1.6347970510850347,1.4829707919155866,1.4026290382125495,1.2852290050479276,1.1266485991156727,3.807431490107468,3.67449468567477,3.5573260210017805,3.393790141152146,3.216369575411192,3.1111822321051164,2.9815376553220236,2.7762973291345263,1.8275884913925435,1.698927672063977,1.5838364314139646,1.4231337243133477,1.2488155270275563,1.1469305055635066,1.0189282736728762,0.8201081950255812,3.7236000732641186,3.571986358531111,3.446263671647843,3.271154524915007,3.081123783622197,2.9614966486725893,2.824624263979156,2.5906091564897435,1.9431192254153868,1.8372211237813165,1.7339287282145561,1.5893146108719045,1.4326944863333027,1.34808755792429,1.2285965048401613,1.0622704343285196,3.85665399993237,3.734003033732603,3.6219057305293147,3.4652911458285893,3.2954579304096296,3.1981937931886746,3.0724805342736508,2.8825324773761447,1.7818822949829405,1.6434020826356037,1.5236057756680588,1.356494881560227,1.1751674037092619,1.0656894412345814,0.9339036709558738,0.7202265872022434,3.7274268406438122,3.605753722732506,3.4974787411394077,3.3368231703396436,3.165238680541982,3.0533993261776433,2.8910775592169826,2.6781238364294504,1.92038369497673,1.7822954243252402,1.6644474492676968,1.5041931493853695,1.3309800236235632,1.230304641380419,1.1264611749837041,0.9367356761536675,0,0,0,0,0,2,15,2,0,0.0,0.0,0.0,0.08333333333333333,0.1422588984322123,0.0,0.0,0.0,0.08333333333333333,0.1422588984322123,0.49279927982674443,0.0,0.0,0.0,0.49279927982674443,0.0,0.0,0.0,0.7773170766911691,1.1719283059363355,1.3200597415393833,0.7773170766911691,1.1719283059363355,1.3200597415393833,13.76130225617747,9.32569850269549,7.108458689419672,5.010923947439055,3.7423640979101163,2.623973782303073,1.6146723804117151,0.9613946593859906,0.7242790661146037,0.49082623698397315,0.3384980328295082,0.22776927033813887,0.15593183741292152,0.10495895129212292,0.07688916097198643,0.05341081441033281,13.76130225617747,9.32569850269549,7.108458689419672,5.010923947439055,3.7423640979101163,2.623973782303073,1.6146723804117151,0.9613946593859906,0.7242790661146037,0.49082623698397315,0.3384980328295082,0.22776927033813887,0.15593183741292152,0.10495895129212292,0.07688916097198643,0.05341081441033281,29.294728271931554,54.86890021849971,51.78431372549014,52.44000000000005,34.17253532934137,437.5368467065869,0.5139426012619571,0.9626122845350826,0.9084967320261428,0.9200000000000008,0.5995181636726556,7.676085029940121,7.1237000000000075,87.58300000000008,135.02894792148413,208.0476967682199,270.0578958429683,14.213573465419383,135.02894792148413,0.1083379251605211,0.005701996061080058,-4.222750000231148,192.07390468698816,10.109152878262535,9.989972414598466,448,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,15.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.800000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.747782473998887,0.0,22.321972526895046,0.0,0.0,0.0,2.096911665772735,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2986734433875053,0.0,1.3747855253212395,0.0,0.0,0.0,1.0156210638702798,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4491090306113823,0.0,1.5295323129251701,0.0,0.0,0.0,1.081290601902455,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,29.166666666666664,1.5350877192982455,0.2,2.4491090306113823,0.2,1.0156210638702798,13.701420244684343,0.3177122694630535,0.4491090306113824,1.6837630702218722,0.3177122694630535,0.4491090306113824,1.6837630702218722,9.5,0.5,0.0,0.0,0.43333,0.7,0.43333,0.43333,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.10526,0.10526,0.0,9.5,0.5,9.5,0.5,0.0,0.0,-9.5,-0.5,0.0,0.0,26.46726,1.39301,26.46726,0.0,0.0,9.32569,0.49083,9.32569,0.0,0.0,0.08831,0.00465,0.17431,0.00917,0.10526315789473684,19.0,0,0,0,0,0,0,1.0,0.9182958340544896,1.235967129165022,2.2769134997152753,3.280993314052441,3.605331913171412,3.883598849940104,52.3428625411059,70.45012636240625,129.7840694837707,187.01661890098913,205.5039190507705,221.36513444658593,0.15743410759065848,0.21189618288079617,0.3903576947595376,0.5624987452334591,0.6181038737943163,0.6658104028207409,4.914594180110253,4.59692288499972,3.555976514449467,2.551896700112301,2.2275581009933303,1.949291164224638,0.15743410759065848,0.21189618288079617,0.3903576947595376,0.5624987452334591,0.6181038737943163,0.6658104028207409,6.732876570223358,10.544932111549747,16.34364446655516,18.893361147010516,20.161434881547148,20.992404602169838,75.04762504567323,64.50462783810804,51.15097728146563,43.13835614846696,37.4089080597544,34.325593584212136,17.05263157894737,11.795918367346939,9.520661157024794,12,0,12,3.55,2.6771000000000016,0.06666666666666665,4.756592201523896,0.8442136252749053,0.0,24.576767795618277,7.168544244559551,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.10699999999999998,0.10400000000000001,0.199,0.218,9.155000000000001,21.0,22.0,24.0,25.0,21.0,18.0,17.0,16.0,15.0,217.0,2.995732273553991,3.091042453358316,3.1354942159291497,3.2188758248682006,3.258096538021482,3.091042453358316,2.9444389791664403,2.8903717578961645,2.833213344056216,2.772588722239781,5.384495062789089,1.0,0.4666666666666667,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.0,0.5789473684210527,13.0,0.6842105263157895,2,8.0,15.0,0.875,2.0,0.666666666666667,0.5,0.3422222222222222,0.14583333333333334,0.10122448979591836,0.07465277777777778,0.05744520030234315,0.04562500000000001,0.037139067442097745,0.10526315789473684,0.03174603174603176,0.02631578947368421,0.021388888888888888,0.010416666666666668,0.007786499215070643,0.006221064814814815,0.0052222909365766505,0.0045625000000000015,0.004126563049121972,0.24169225400727734,111.08276859977647,177.31338951764775,222.16553719955297,11.692923010502785,111.08276859977647,0.19364244077838044,0.010191707409388445,-3.1193096276092356,159.12257637994793,8.374872441049892,9.63238216910011,0.0,324.8237078914682,5.247927513443585,4.394449154672439,5.117993812416755,5.872117789475416,6.61338421837956,7.3796321526095525,8.130647968160584,8.905308661189288,9.663134259490725,10.444386409308262,104.5210544257026,3.6635616461296463,0.0,4.812184355372417,0.0,6.129050210060545,0.0,7.536363938404511,0.0,8.998260393017953,9.268609280100158,266.29735121600027,4.671883354666671,37.56591810728312,1.9771535845938484,0.0,0.0,0.0,1018.0,19.0,10.689000000000004,80.0,1.2389295973320038,2.133087391949709,2.8516995546334782,3.564262621489979,4.658172158259509,5.582820704322238,6.693292240273707,7.792614738638264,8.89354307279478,10.01506886091442,80.67257085398549,81.31067122081264,74.83664733707107,83.90306907873705,104.49222096255541,127.61987004721037,155.0208403497892,176.62172489033088,197.26767546478575,217.21991446916945,295.59265279651714,355.01660862802345,359.0930044284021,420.5935321120369,529.5764546094188,638.2437334239946,776.5821883820682,891.5361070767897,1005.4172482412905,1115.70964949036,9.02838852355554,15.238097299019588,20.03401759071776,24.97313041112074,32.570476995823185,39.03058465314494,46.84260408694864,54.501278398555556,62.174686504279066,69.96807126498888,2.2121368320192243,2.901470165603803,3.1165762366194785,3.720869672340612,4.723825321570381,5.673191743392895,6.888280078755466,7.937982663430959,8.986450622958552,10.011599010429503,176.62479871874618,325.49314494974067,460.5443657953677,580.4717865406228,763.7735641605841,915.9468790208941,1094.3145664611768,1276.6481742268434,1458.899357382406,1646.4131078304938,2.283464120250749,3.378274266137507,4.081077294425436,5.0114990408438835,6.489926598208939,7.7377858639255415,9.362038324476089,10.85269811158316,12.372071772789763,13.88113043748432,0.45760289849925184,0.6102666545388301,0.6635377364526498,0.7948810047140127,1.010847541979623,1.2134402221600862,1.4725033531308063,1.6980875731567349,1.9236312932657467,2.144640874169595,645.0568054765911,639.7056212306952,16.671927879332834,87.74173757165016,-87.01386027493047,-4.667336993478977,557.3150679049409,726.7194815056257,21.33926487281181,0.8802648580513432,0.8729624632845137,0.02275103851869326,0.11973514194865698,-0.11874185763658407,-0.006369195241661009,472.69668723659856,468.7753472176234,12.217164459780452,64.29701745702636,-63.76363003447227,-3.420217748736552,0.030136179151014308,0.06571099101328452,0.5140056615733922,0.6199566160280293,732.7985430482411,0.0,1.0,0.0,1241.619296672571,35.23661868954754,10.74804520914687,1609.7266677805017,40.12139912541064,11.719723878311074,2303.87014272868,47.99864730103006,13.20746085476921,2.303506953974566,2.303506953974566,8180.755522198744,8015.497472743239,425.171208773555,1.0206173166440968,19.241085363698254,18.852399474236908,8.458975472518826,9.364340826787705,17.910863826641894,0.9126668024946228,10.598841291773518,17.63687786299392,13.764632488119446,60.38850734641333,38.08034259728868,10.87484871175049,21.791457846416407,22.60714282620614,46.339228829609574,11.341193255296854,8.380347616780387,41.122510018091894,9.584325717263631,45.12009770505321,10.7356469330288,7.620730072792026,26.483827933427904,12.635208359527155,31.466651036282116,9.332494917328058,9.14990861127116,15.680726574961094,7.5655391817156765,18.886246053907744,11.287072297846866,9.047761365493018,9.36634814393546,8.399606523419402,5.52199211548857,9.305406103744108,0.8900552070449238,16.0157951367955,0.9909534160784634,15.727632384281234,1.223068160276892,1.911942380207836,3.9939299009537192,2.294158969903831,10.335960339090905,1.0522358073342548,1.1316416881671068,2.879875145923342,0.46178935791556985,8.718184925896148,2.3656705644280254,1.0656686625727414,2.9618445838386234,1.3212059752601395,5.539508373355673,3.5525669714020824,0.9287166131432346,1.1163052592031812,0.5478980956547259,3.0516176243304196,1.8022272849618157,1.3810858177371625,0.36298469005435946,0.6110366010042089,1.003541709897108,1.2760079090814431,2.871825389022115,16.12412063868222,3.265466876320642,19.106923311383547,5.195256362368158,3.268678964903396,6.525749581364093,4.881936969122677,14.941468715058383,2.4994282725518406,1.8576865741907296,9.355209776090906,1.5914030183865184,14.086109313688612,3.4950003799532907,1.8222784612942933,5.955936628568146,2.480010470840831,9.750946040553263,4.4021541144715695,1.9325860528123082,2.675081427751729,1.303874674829983,5.682602632264181,3.1663707417601112,2.5495352389352717,1.1445293221104205,1.5032013504846227,1.7656458498145702,2.402359705265677,10.004476349789414,17.458897724250303,12.864879774009795,55.624859204619014,34.56768131861507,10.158890803998181,20.312396156487083,20.81223843242104,43.16456581303105,10.480299786547713,7.669998742791034,38.310529491108866,8.766719705068558,42.16196085342595,10.018355070481583,7.013747487566793,24.404485118872927,11.535520373727673,29.497042820060493,8.861831194290763,8.408085418170078,14.288829824748362,6.896610280112779,17.704176719405602,10.504092081446897,8.43815060536246,8.441508157150846,7.675990953627223,5.18869956510808,8.632504281853128,4.232248503318304,16.264568946562953,4.925684093811799,23.130118554097916,8.976454111510861,4.340415358249681,8.590684563544079,7.121126761774601,18.917615579474383,3.6867706693174873,2.579844316881706,14.195466795178588,2.5843389742197287,18.383414743756344,4.44221472525189,2.514302403567513,8.547895768749669,3.6171376899403214,12.962891195286492,5.083418021716885,2.8219100658303296,4.165017679052451,2.0236879050486585,7.667200154753231,4.272626045679015,3.4693629992436414,1.9946528885135575,2.3227907387117175,2.3363754972196875,3.3277722600382047,12.799507162227023,18.38525999198011,17.22971630142542,80.330544089263,52.51256391074352,13.715624311815361,27.710016656383537,29.878891590742125,59.19558493745644,14.790989767440555,11.313140749253845,52.06855925267765,12.90577641742094,56.90119596049158,13.624090674432871,10.101654865884157,34.90862537837275,17.169035956421627,39.19337288020978,11.207791939790892,12.167376298079962,21.40231651799811,10.31400482561447,23.50440428081877,14.415820232915564,11.464133016428944,13.214877806809474,11.359057704261943,6.820376043261103,12.002765501719416,7.062315630584353,16.143041776865743,8.30725292701519,34.86445705253165,18.682711244258297,6.6750974672395165,13.501569991352671,12.588611422290526,28.588286793347873,6.438164092586675,4.46693952888394,24.658128599741396,4.996861256225743,27.986928805809637,6.3784917548319795,4.412284317738986,15.159597462469959,6.464720047603074,20.00616951265754,6.587033986205925,5.037005420697042,8.022037814200559,3.79515076378815,12.129597338931005,6.898063217369979,5.691361481788569,4.382233946591065,4.245322763243245,3.878911912223819,5.68681617965446,31.18517871824377,1.6893332773689682,0.9543536152827916,0.9218511515266333,0.049937627137720854,0.5711030221820832,0.4143076416499433,0.373884330103426,33.82886561089553,84.05606954309827,168.16234517259426,0.8827767272899499,1.3592949939354526,29.65040008108874,1.1097690287440765,0.48799672233175273,0.9488684948851875,0.03551469339687648,0.5163091612555902,0.18077161782153037,0.09906646110601507,31.24816583216457,47.91595740383198,95.22170208554242,0.9233027423277814,0.7961472401831357,30.259814926873958,1.3397525664738315,0.6735685244221064,0.9376161929293955,0.04151293403083453,0.5377304215836769,0.2620714526077189,0.18789837295833012,32.27313601776989,61.825138758173566,121.40519048327972,0.9064242893940931,0.9877002471497259,31.147167159484827,1.67496670054598,0.942840895549104,0.9224697303923654,0.04960663269174159,0.5697120714447501,0.40736817264387537,0.3650635013308618,33.764974755579914,83.11651789090043,166.06994323623994,0.8837045955885482,1.3421437454194873,30.53152059567118,1.4423575360925693,0.7561292849031068,0.9328296265562056,0.044068353475474276,0.5474235304886299,0.30316429278431306,0.23621940493859736,32.73000741666685,68.21375442688141,134.24170603807522,0.8992444398343084,1.0868072282115402,31.30418742585648,1.734316052234722,0.9903873426964104,0.9199297029902996,0.05096598832352364,0.5754690219375751,0.43641513908265095,0.4021431279244943,34.02889082078761,87.0122704211601,174.81063180896916,0.8798945544854494,1.4140272889447203,31.211737142081475,1.6813231277847285,0.945632668067554,0.9223682841216535,0.04968640871763508,0.5720775680234326,0.4103091412807658,0.3669023919015928,33.83869293793376,83.58176785921964,167.04444099112712,0.8835524261824802,1.349289101205791 +UMLCN0217,L,cyclohexyleicosane,CCCCCCCCCCCCCCCCCCCCC1CCCCC1,Naphthenes,,C26H52,Creton (2011),Unknown,UML,,66,0,-5.536000000000001,30.647296000000015,83.2005,80.43323599999992,0,0,78,26,52,0,26,0,0,0,0,0.0,0.0,0.0,0.0,0.0,3803.7024739999965,4380.435722000004,5157.487971000013,4991.560753000038,4478.083030000041,4194.544557000046,3991.6914440000023,3794.934715000002,3598.177986000002,12627.794155890982,16977.743496749557,23977.352316659908,25858.378322101154,23909.006279983252,22036.88413157264,20843.583320031943,19836.784975076822,18829.9866301217,545.4135439999995,566.1702800000004,1110.9909240000002,1614.8282920000029,1569.257176000003,1443.1119240000032,1339.916240000003,1277.0313400000027,1214.1464400000027,95.63127105214771,130.41570411999987,200.8863680509235,232.21948734490115,217.83642879429712,200.13086395520298,188.4416576667128,179.4201288073167,170.3985999479206,12912.371163600948,11259.025739410796,24034.72408580046,37892.61416224211,37180.04386807879,34259.3955750014,31670.934507817336,30191.97935277876,28713.02419774018,111.77777777777777,137.83333333333331,240.75000000000006,315.50000000000006,302.83333333333337,278.4166666666667,260.1666666666667,247.91666666666669,235.66666666666669,48.76541633333329,56.159432333333385,33.060820326923164,21.608488108225274,19.902591244444626,20.26350027536254,20.79005960416668,20.73734816939892,20.67918382758622,161.89479687039722,217.66337816345586,153.70097638884556,111.9410316974076,106.2622501332589,106.45837744721081,108.56032979183304,108.39773210424492,108.21831396621667,6.992481333333328,7.258593333333338,7.121736692307693,6.9905986666666795,6.974476337777792,6.971555188405813,6.978730416666682,6.9783133333333485,6.977853103448291,1.2260419365659962,1.671996206666665,1.287733128531561,1.0052791659952431,0.9681619057524317,0.9668157678995313,0.9814669670141293,0.9804378623350639,0.9793022985512677,165.543220046166,144.34648383859994,154.06874413974654,164.03729074563685,165.24463941368353,165.50432644928213,164.95278389488195,164.98349373103147,165.01738044678262,1.433048433048433,1.7670940170940168,1.543269230769231,1.365800865800866,1.3459259259259262,1.3450080515297909,1.3550347222222223,1.354735883424408,1.3544061302681993,0.1081555527658095,-0.0016244533309907052,-0.04945959139280258,-0.007597415835620264,-0.002831407767118481,0.004606834183842581,3.957625888085137E-5,1.1021205400410603E-6,9.48711462709674E-9,2098.4774893333324,6.650680006714538E-12,-928.1727356666604,-161.42134533333456,-80.71067266666864,80.71067266666547,-4.511946372076636E-13,-2.2382096176443156E-13,3.552713678800501E-15,3902.208499613202,-2.9260149858600926E-11,-1725.976836367405,-300.1698845856308,-150.08494229281027,150.08494229281857,1.6555645743210334E-12,1.2008172234345693E-12,2.913225216616411E-13,0.41107733333333324,-3.676399462637647E-14,-0.1818226666667031,-0.03162133333333442,-0.01581066666666138,0.015810666666672465,2.9603056117544213E-15,2.9325500361387924E-15,2.9047944605231635E-15,17.444687604049346,2.7533531010703882E-14,-7.715919517175624,-1.3418990464653198,-0.6709495232326571,0.6709495232326702,3.0531133177191805E-16,-1.4710455076283324E-15,-1.4710455076283324E-15,94.75981993311579,-1.8673951274195133E-12,-41.912997278110836,-7.289216917932155,-3.644608458965832,3.644608458966207,7.394085344003543E-14,8.104628079763643E-14,1.0236256287043943E-13,4.831908831908839,-0.33760683760683335,-2.0249287749287728,-0.2785448170063608,-0.0948937102783319,0.18326758711373567,0.007779969318426581,0.007615603769446332,0.007451238220465638,0.0013866096508437116,-2.0826324756291093E-5,-3.1704866277437553E-4,-3.2889246041646166E-5,-1.2584034520526583E-5,2.2255237603104255E-5,2.0612634833776754E-7,6.022516612246231E-9,5.4523647282165176E-11,26.903557555555544,8.526512829121202E-14,-5.949825228632439,-0.698793702741708,-0.3587141007407495,0.3899066312399298,-2.349972068789915E-15,-1.2230653648329593E-15,2.0417894705750005E-17,50.028314097605154,-3.7513012639231956E-13,-11.063954079278236,-1.2994367298079257,-0.6670441879680457,0.7250480304000897,8.62273215792205E-15,6.561842751008576E-15,1.6742673658715004E-15,0.005270222222222221,-4.713332644407241E-16,-0.001165529914530148,-1.3688888888889358E-4,-7.026962962960613E-5,7.638003220614717E-5,1.541825839455428E-17,1.602486358545788E-17,1.6694221037489446E-17,0.22364984107755573,3.529939873167164E-16,-0.04946102254599759,-0.00580908678123515,-0.0029819978810340314,0.0032413020446022717,1.5901631863120731E-18,-8.038500041684876E-18,-8.454284526599612E-18,1.2148694863219973,-2.3940963172045042E-14,-0.2686730594750695,-0.03155505159277989,-0.016198259817625918,0.017606804149595204,3.8510861166685117E-16,4.428758513532045E-16,5.88290591209422E-16,0.0619475491270364,-0.004328292789831197,-0.012980312659799825,-0.0012058217186422546,-4.217498234592529E-4,8.853506623851965E-4,4.052067353347178E-5,4.1615321144515475E-5,4.282320816359562E-5,-0.015019601762917834,-0.2286502640317415,-0.023719181545890738,-0.009075398049385827,0.016050110129813815,1.486549211685824E-4,4.343339604323182E-6,3.9321554735313665E-8,3.1692882294522014E-15,-0.22115384615384479,-0.025974025974026184,-0.013333333333333664,0.014492753623188198,-8.734800458776684E-17,-4.5461101651978294E-17,7.589291737193968E-19,-7.498356343978359E-15,-0.22115384615384961,-0.025974025974025965,-0.013333333333332873,0.014492753623188706,1.723570404771009E-16,1.3116258001831587E-16,3.346639590142909E-17,-8.943328090669838E-14,-0.2211538461538905,-0.02597402597402687,-0.013333333333328878,0.014492753623193723,2.9255423669882894E-15,3.040642862816684E-15,3.1676503064893963E-15,1.5783332803456258E-15,-0.22115384615384476,-0.02597402597402569,-0.013333333333333133,0.014492753623188472,7.110057304984391E-18,-3.594234631670202E-17,-3.7801433195152125E-17,-1.970661329598953E-14,-0.22115384615385633,-0.02597402597402658,-0.013333333333332746,0.014492753623189263,3.1699587157527745E-16,3.645460325898923E-16,4.842418036117317E-16,-0.06987028301886694,-0.20953714622641453,-0.019465204606714383,-0.0068081761006293685,0.014291940114847803,6.541126179241679E-4,6.717831735227258E-4,6.912817176314382E-4,1.4966706462735684,1.4424629222004182,1.0055230592942712,0.9695180203842795,0.9446616558531866,0.9735283268036204,0.9727504810386391,0.9717444649609891,1.4807692307692326,1.4522928994082858,1.0192307692307705,0.9773076923076935,0.944258639910815,0.9717548076923088,0.9709962168978574,0.9701591511936352,1.4807692307692264,1.4522928994082795,1.019230769230766,0.9773076923076892,0.9442586399108108,0.9717548076923047,0.9709962168978531,0.9701591511936309,1.48076923076923,1.4522928994082835,1.0192307692307687,0.9773076923076923,0.9442586399108145,0.9717548076923086,0.970996216897857,0.9701591511936346,1.4807692307692282,1.4522928994082838,1.0192307692307692,0.977307692307692,0.9442586399108132,0.9717548076923068,0.9709962168978551,0.9701591511936327,1.4807692307692315,1.4522928994082853,1.0192307692307705,0.9773076923076929,0.9442586399108139,0.9717548076923078,0.9709962168978563,0.970159151193634,1.5776827830188658,1.353515624999998,0.9475972877358477,0.9197474449685522,0.9045644483182924,0.933734246020046,0.9361153533869458,0.938742782205594,446.2094056187194,223.1047028093595,356.67441345011645,446.2094056187192,17.161900216104577,223.1047028093595,-3.979039320256561E-13,0.10382649796495835,0.003993326844806091,-5.889088560634913,319.59386157789066,12.29207159914964,14.994332618538932,446.2094056187194,223.1047028093595,356.67441345011645,446.2094056187192,17.161900216104577,223.1047028093595,-3.979039320256561E-13,0.10382649796495835,0.003993326844806091,-5.889088560634913,319.59386157789066,12.29207159914964,14.994332618538932,446.2094056187194,223.1047028093595,356.67441345011645,446.2094056187192,17.161900216104577,223.1047028093595,-3.979039320256561E-13,0.10382649796495835,0.003993326844806091,-5.889088560634913,319.59386157789066,12.29207159914964,14.994332618538932,446.2094056187194,223.1047028093595,356.67441345011645,446.2094056187192,17.161900216104577,223.1047028093595,-3.979039320256561E-13,0.10382649796495835,0.003993326844806091,-5.889088560634913,319.59386157789066,12.29207159914964,14.994332618538932,446.2094056187194,223.1047028093595,356.67441345011645,446.2094056187192,17.161900216104577,223.1047028093595,-3.979039320256561E-13,0.10382649796495835,0.003993326844806091,-5.889088560634913,319.59386157789066,12.29207159914964,14.994332618538932,446.2094056187194,223.1047028093595,356.67441345011645,446.2094056187192,17.161900216104577,223.1047028093595,-3.979039320256561E-13,0.10382649796495835,0.003993326844806091,-5.889088560634913,319.59386157789066,12.29207159914964,14.994332618538932,457.80123451442154,228.72891103607796,365.34617005510205,457.7272700173799,17.604895000668456,228.72891103607796,-0.09615384615415223,0.07683920229929272,0.0029553539345881816,-6.671704838387391,291.2419418260705,11.201613147156557,14.752801276062678,0,11.899999999999999,12.100618409988137,-0.15127035105558115,0.04935489078497343,5.1269909514355625,9.068764962754926,26.0,78.0,78.0,78.0,26.0,0.0,0.0,0.0,0.0,0.0,56.846763999999986,3.6554923709697325,3.5525697133803256,3.49505790531086,3.40685832902991,3.2929899920340593,3.159033159709037,3.0118459514605886,2.857278481367635,2.01330243417797,1.956569111623113,1.9133833828160987,1.848152720669045,1.7643950988802952,1.6660119957985808,1.557960633996577,1.4463242122104032,3.6796033474629684,3.58033221129508,3.523759898910767,3.4370987160093427,3.3252727527176114,3.193723086522053,3.0491474417416233,2.8975651309509245,1.9606996746190575,1.8983134039242795,1.853062217478648,1.7846007956608525,1.6966904767301163,1.5934485537737824,1.4800597360131575,1.3627632556121028,3.7854870301110393,3.70139854025425,3.6490705153973844,3.5693141426383668,3.4666366465917027,3.345932437180081,3.2132624540244707,3.075043261597498,1.8066197655439642,1.7253818502588636,1.673912861970594,1.5955435779852056,1.4946961381121386,1.3761650879594785,1.245895389279812,1.1103261228436123,3.6973549230327896,3.6007287157056838,3.5448564277296404,3.4593393860800705,3.3490321302458543,3.219277327466032,3.0766585938249866,2.9272995354712035,1.9272728732641198,1.8610883979361208,1.8145049299847487,1.7439422149959434,1.6533116560480607,1.54687153953485,1.429959627248355,1.3088984480571773,3.8370501995402346,3.7598064431752363,3.7095754533616505,3.6331980973156477,3.5349719910316284,3.4195515901791773,3.2927202516902034,3.160923180719013,1.7586676673383352,1.6708727494435398,1.6174576440270996,1.535940561439256,1.4309353833748997,1.3074669139285902,1.171748104461674,1.030142550643226,3.7130716217930333,3.6412162069701033,3.591999743332376,3.5147065454474298,3.412115554263149,3.288129422286666,3.1485482934243976,3.0008214317395936,1.888139174932766,1.7972494642808017,1.7455945798689336,1.6673627192283786,1.5679578276876862,1.4531499976902174,1.3294236061355698,1.2024568722008748,0,0,0,0,0,1,24,1,0,0.0,0.0,0.0,0.10206207261596577,0.07216878364870323,0.0,0.0,0.0,0.10206207261596577,0.07216878364870323,0.20412414523193154,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.4330127018922194,0.6123724356957946,0.6495190528383291,0.4330127018922194,0.6123724356957946,0.6495190528383291,18.54791301766677,12.931851652578137,9.303118619434354,6.690670697680658,4.810477932315068,3.4577077845361237,2.0679051395638757,1.3997297470361303,0.7133812699102603,0.49737890971454374,0.34455994886793906,0.23895252491716637,0.16587854939017477,0.11525692615120413,0.08271620558255503,0.05832207279317209,18.54791301766677,12.931851652578137,9.303118619434354,6.690670697680658,4.810477932315068,3.4577077845361237,2.0679051395638757,1.3997297470361303,0.7133812699102603,0.49737890971454374,0.34455994886793906,0.23895252491716637,0.16587854939017477,0.11525692615120413,0.08271620558255503,0.05832207279317209,40.08752289843276,75.08375819373649,70.86274509803908,71.76000000000005,46.76241676646714,598.7346323353288,0.5139426012619585,0.9626122845350832,0.9084967320261421,0.9200000000000006,0.5995181636726556,7.676085029940113,9.998499999999995,119.97200000000012,247.4486914639677,385.77740177149656,494.8973829279354,19.03451472799751,247.4486914639677,0.10900647943012648,0.004192556901158711,-5.762504680937289,296.6397472859485,11.409221049459557,14.800547919184126,923,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,26.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,24.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.200000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3044178681802188,0.0,35.92724142530642,0.0,0.0,0.0,1.1016740398466955,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3044178681802188,0.0,1.3754166666666667,0.0,0.0,0.0,1.1016740398466955,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3044178681802188,0.0,1.540633608815427,0.0,0.0,0.0,1.1016740398466955,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,39.33333333333333,1.5128205128205126,0.2,2.3044178681802188,0.2,1.1016740398466955,18.780650352986395,0.23165929348663775,0.3044178681802187,1.0112986545712155,0.23165929348663775,0.3044178681802187,1.0112986545712155,13.0,0.5,0.0,0.0,0.43333,0.7,0.43333,0.43333,0.7,0.0,0.0,0.0,0.0,0.71429,0.0,0.0,0.03846,0.03846,0.0,13.0,0.5,13.0,0.5,0.0,0.0,-13.0,-0.5,0.0,0.0,38.71774,1.48914,38.71774,0.0,0.0,12.93185,0.49738,12.93185,0.0,0.0,-0.01785,-6.9E-4,0.06815,0.00262,0.07692307692307693,26.0,0,0,0,0,0,0,1.0,0.9182958340544896,1.0743513809052672,1.6183953350585347,2.2610858880398332,2.679210062124199,2.9580668820514404,71.62707505625019,83.79940771061084,126.23483613456571,176.364699267107,208.97838484568751,230.72921680001235,0.14609977246940845,0.17092802393475795,0.2574847684690397,0.35973606927722174,0.42625912691537754,0.4706249145320241,5.367106384807759,5.211050837956981,4.6670068838037135,4.0243163308224155,3.6061921567380497,3.3273353368108083,0.14609977246940845,0.17092802393475795,0.2574847684690397,0.35973606927722174,0.42625912691537754,0.4706249145320241,6.732876570223358,8.60554313243269,11.809673593734374,14.21030153791444,15.51146602401281,17.053584362638905,102.69675006250023,96.58824480092267,86.432068622283,78.00855934998916,73.72794034868242,67.23689228671708,24.03846153846154,19.753086419753085,16.897959183673468,20,0,20,4.32,3.6633999999999936,0.0,2.4521110892815288,0.04999999999999999,0.0,0.0,4.2011328375222305,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.089,0.084,0.23800000000000002,0.23299999999999998,12.876,27.0,28.0,29.0,30.0,25.0,24.0,23.0,22.0,21.0,281.0,3.295836866004329,3.332204510175204,3.367295829986474,3.4011973816621555,3.4339872044851463,3.258096538021482,3.2188758248682006,3.1780538303479458,3.1354942159291497,3.091042453358316,5.641907070938114,1.0,0.4782608695652174,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.0,0.7307692307692307,20.0,0.7692307692307693,2,12.0,23.0,0.9166666666666666,1.0,0.44444444444444464,0.1875,0.1511111111111111,0.09027777777777776,0.06040816326530612,0.043402777777777776,0.032753842277651796,0.025625000000000002,0.020610141822263034,0.038461538461538464,0.016460905349794247,0.0075,0.006868686868686869,0.004298941798941798,0.003020408163265306,0.0022843567251461987,0.0018196579043139886,0.0015073529411764707,0.0012881338638914396,0.09661084075232787,223.1047028093595,356.67441345011645,446.2094056187192,17.161900216104577,223.1047028093595,0.10382649796495835,0.003993326844806091,-5.889088560634913,319.59386157789066,12.29207159914964,14.994332618538932,0.0,445.8956002725368,5.700439718141093,4.672828834461906,5.37989735354046,6.09807428216624,6.816735880594968,7.54274354536855,8.26796230533871,8.99949587624899,9.729669736233394,10.465870935715712,119.97327874966892,3.970291913552122,0.0,5.081404364984463,0.0,6.343880434126331,0.0,7.682021510826875,0.0,9.06566136060674,9.361085258668608,364.40690166400145,4.671883354666686,51.708505541756274,1.9887886746829335,0.0,0.0,0.0,2797.0,25.0,14.73300000000001,106.0,1.2382792924291148,2.148257409571404,2.887666234639484,3.642096547664082,4.804206517467697,5.766991644881599,6.99793950796123,8.081873636599829,9.320237708276768,10.448265969835976,82.07609675064141,80.03127326365299,74.03328970346989,90.13750951170675,115.16377815819601,142.30876736193957,166.57585141531308,190.62968999861567,214.72056721255495,238.44109060096335,298.81572386822296,355.0833866377835,354.4019440257026,444.2139834269829,563.4483919647374,697.4148135695145,823.4305609368265,949.0759976015589,1075.9323169516376,1201.547693529513,9.028276172359572,15.352379033974666,20.24874224185593,25.55870354873613,33.61516719654411,40.43755765601902,48.995290856704194,56.59250386796527,65.20602118732752,73.09501138120785,2.2293050067887155,2.9157791732976293,3.0867221208033877,3.8959058988881643,4.965580249477951,6.117927454644714,7.267895466303764,8.391481144684258,9.551927621986435,10.68559206970163,176.24404484249933,327.2135434822502,469.33358511931044,590.1441700180501,786.2498241988585,937.0899609740171,1142.7191367082803,1318.9473459804215,1525.4519476971846,1710.1742887322814,2.256594788853955,3.3950440090326013,4.040349577630845,5.127226941186629,6.645648584311973,8.092106680132117,9.720284053045786,11.235869780726466,12.880644322659448,14.436805987121824,0.46089103279427035,0.613677044593225,0.6578071854047486,0.8309267599814274,1.0605658639364524,1.3051397155142417,1.552398923741823,1.7927730665188357,2.0423330387762064,2.285309565275363,902.2256166040427,1233.1497423698959,23.49148350998941,74.50185530725423,-101.82812590050794,-4.524815795713841,827.7237612967884,1334.9778682704039,28.016299305703253,0.923722985735759,1.2625320550847439,0.024051216112535873,0.0762770142642412,-0.10425438909918942,-0.00463262877909998,881.2285455992775,1204.4512303530153,22.944777300157874,72.76800878695566,-99.45832798026836,-4.419511893011882,0.02186102385982068,0.04767816801021187,0.3936590487803854,2.178648669827053,976.7274719112968,0.0,1.0,0.0,1614.6023429270274,40.1821147144725,11.731544512778648,2134.0736570154195,46.19603507894828,12.874680736387965,2967.59098285056,54.475599885183094,14.3703721183885,5.116072403340929,5.116072403340929,26439.358511099792,26302.24369418688,442.21428642868705,1.0052130464042204,59.78856704206342,59.47850284667017,10.788788554656458,14.288691232229773,27.62746748473338,0.9335198049781127,20.691158521249367,24.593333243382283,10.4215879806796,114.02542776891937,66.3312281323849,21.887015046032737,35.70542133897886,17.333136021012816,83.36865678078088,10.944388760575238,9.637298117566544,75.15729637676372,11.350198312228908,90.09855989708582,5.027230650803376,10.315812673116904,43.97494862954531,10.248043892027502,83.54986800629158,7.391489451776352,8.40178101146643,34.83055719444366,11.187857821744537,71.36244448545683,10.088841566524152,4.419938508168376,21.53630043554377,11.519039709043705,51.588246032730396,10.79186977372493,1.7364655557315933,24.563672117085797,0.8285778431143614,24.600438178476015,4.013186781447627,3.160155235889565,4.109631750356134,1.153823789826327,17.845096760130282,3.11787574828255,0.9253601994770522,4.929583072779329,2.6784900596370145,16.80823534372882,1.3155179988028471,1.2296232111032164,1.6248214564488714,1.4768120214526768,12.987343535569266,0.7282913551029678,0.4676444194377734,1.5243330052669224,1.447040545536539,10.117136496804838,0.5035085079167383,0.4509090316822266,1.777803318995869,1.964125622002351,7.5159559449729105,0.6569498048414737,5.605522489708292,24.565654666711847,2.7050832674650276,30.876272247396898,9.118693868150718,6.738656118127152,9.094314046982529,3.151914304456409,26.390739057195955,4.366135748141876,1.99138543548925,16.186956214965193,3.8888902459294643,28.213015061898027,1.7784559232657589,2.265615740612432,6.322386140676843,2.9400741476258303,23.733149961576338,1.4561696795139665,1.357097969905113,4.406858015342626,2.6186256739949214,18.82988957453094,1.7168241113935652,0.9210514288906396,3.5345443003200683,3.1558372929102876,13.613130264167836,2.066382770212621,19.53076580010378,24.590076900568146,9.805431913678392,104.31357597513002,59.8222509942636,20.654233143455773,33.2529902455535,15.881178198148964,77.64897110065681,10.341685123474468,8.851983041864308,69.76925303686541,10.621326181588753,84.3540179279597,4.695746541929395,9.469936396003419,39.98598664084741,9.595346438961652,77.93617523852689,6.759913874927227,7.657783254730574,31.406228097654147,10.302602303367122,66.27272698978867,9.239095267214346,4.056669153366825,19.521388196680874,10.665709477020503,47.86463026200199,9.93817156485547,8.26150878077996,24.568224661801136,4.01748378056446,38.740866456444955,14.884495881609046,9.26764841833438,12.951039536450436,4.9108596170234975,33.69091826807688,5.326740960032976,2.9346651642277752,24.828593210560296,4.885972707232198,37.09769225505059,2.1837513479893387,3.219878869690806,10.719062778904918,4.0416903712335195,32.19579937496887,2.1435552664100834,2.184453698272818,7.548358198739431,3.6653842031495296,25.93587081113796,2.7704150981699622,1.3447487594321692,5.416399079955158,4.199168883729283,18.659398549447907,3.2296801515585805,24.98757046926576,24.607025605953417,12.73572633905972,154.79519998233263,93.4897747196162,26.549480688727805,45.37400101918752,23.233049015683164,106.48581591103309,13.316233638424157,12.831066736957197,96.34299300613542,14.273693746081632,112.79610611104562,6.372941643686898,13.77656067152247,60.32969313517837,12.79609027922657,105.80397818968392,9.983877948332864,11.449722374529752,49.08226278147476,14.793618483737358,91.72921428365493,13.53361721392795,5.901539653265992,29.91098392617232,14.983268752210778,66.53954485437662,14.217562929502126,13.804095409919855,24.202416420306037,6.715161202459166,63.506829608760384,31.987174072983482,14.323097655584645,21.694498093073253,9.42555069390565,52.16851264809821,7.469666678919173,5.360442958125628,44.74946641536357,7.272533306117565,57.92264540661239,3.201781781676618,5.744691285567133,22.589003570451037,6.479121230137769,52.37663561745612,3.9975252154711973,4.399727152225768,16.802475351707756,6.370424602620629,43.50957002114381,5.448489513863636,2.451453426681857,10.885364501335046,6.843867068706523,31.34190610440565,6.06062218719005,73.50032307495032,1.3142290854363519,0.8745403346034246,0.9710821024814817,0.0173635201865228,0.5878426955689736,0.38434479488686896,0.34979544398237405,75.68909249499009,162.02460585361825,322.1910259666663,0.9566231537222226,1.3219829344382166,71.82096083476284,0.7949423044581062,0.4185557599219955,0.9833845819812824,0.010884482700910855,0.561295363255344,0.13669254509884565,0.0794176374367547,73.03445889914295,87.48732463524041,184.41860523248016,0.9750768729719236,0.7774055457909443,72.48791983891384,1.0003723373250435,0.60050102086223,0.9783925032504118,0.013502343528038262,0.5717647760355775,0.2188532136133023,0.16428635772922273,74.08879319710111,116.6447042703379,234.27877482832085,0.9675887548756177,0.9549043473781026,73.45874388314857,1.3012982247270481,0.8633291387979773,0.9713762117736817,0.017207619857125683,0.58717796264793,0.3765521554128328,0.3408559537764911,75.6233712466736,160.1342557753129,318.2847555541074,0.9570643176605227,1.304586071837254,72.78522338643926,1.0923100530753542,0.6812199499689449,0.97621298744388,0.01465032613098147,0.5764629791176757,0.26226071557981595,0.21175147966638544,74.55875338948356,129.83088085383818,258.5493664135732,0.9643194811658199,1.0504751743638772,73.63049736380029,1.3547325752339536,0.9096182376403151,0.9701646308376147,0.017850125638044504,0.589926258017234,0.4093021037635106,0.37850427767970635,75.89484817667456,167.95756601561612,334.58649984847114,0.955246946256422,1.377732639460451,73.53930769737975,1.3045592724675807,0.8660101037185848,0.9713304332263403,0.01723103144388894,0.5884663105584848,0.37840441370264044,0.3429996323464724,75.70987707356592,160.75193074472074,319.5436871898335,0.9569956498395104,1.3098703566075975 +UMLCN0218,L,methylcyclohexane,CC1CCCCC1,Naphthenes,,C7H14,Marquardt (2015),IQT,PubChem,,24.4,0,-0.2194000000000007,0.04813636000000031,26.1737,21.65510199999999,0,0,21,7,14,0,7,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1024.0737430000001,1179.3480789999996,1477.0257679999984,1132.1168929999972,431.0270170000007,82.888848,6.0963840000000005,0.0,0.0,3399.7907342783346,4570.930941432568,6619.957195075557,6504.08235451463,3827.6656673199964,1257.5254593330578,186.50246658558157,0.0,0.0,146.842108,152.43046000000004,299.1302720000001,419.99147599999986,372.0016359999999,183.39436800000007,40.310784,0.0,0.0,25.746880667885982,35.11192034000001,54.82025529879205,59.80401473152709,40.400943465168034,15.349205456678009,2.6676774290939997,0.0,0.0,3476.4076209694867,3031.276160610601,6474.882305449394,9786.99930382053,9259.73272283687,4833.801083097978,1109.505912145494,0.0,0.0,31.02777777777778,38.0,65.33333333333333,84.83333333333333,68.16666666666667,30.5,6.0,0.0,0.0,48.76541633333334,56.159432333333314,35.16728019047615,18.868614883333287,7.981981796296309,3.069957333333333,1.016064,0.0,0.0,161.89479687039687,217.66337816345563,157.61802845417992,108.40137257524384,70.8826975429629,46.57501701233547,31.083744430930263,0.0,0.0,6.992481333333333,7.2585933333333355,7.122149333333335,6.999857933333331,6.888919185185183,6.792384000000003,6.718464,0.0,0.0,1.2260419365659991,1.6719962066666672,1.305244173780763,0.9967335788587849,0.7481656197253339,0.5684890909880744,0.44461290484899996,0.0,0.0,165.54322004616603,144.34648383860005,154.16386441546177,163.1166550636755,171.4765319043865,179.02966974436956,184.917652024249,0.0,0.0,1.4775132275132274,1.8095238095238095,1.5555555555555554,1.4138888888888888,1.2623456790123457,1.1296296296296295,1.0,0.0,0.0,0.028633867162469375,-0.0014073539068543515,-0.007973720302834645,-0.012604540650797873,-0.003573365509982968,0.007573216658717565,0.003668830130517596,0.0,0.0,564.9747086666667,5.755396159656812E-13,-161.42134533333285,-282.4873543333331,-80.71067266666739,161.42134533333277,80.7106726666665,0.0,0.0,1050.5945960497056,0.0,-300.16988458563026,-525.2972980248533,-150.08494229281496,300.1698845856303,150.0849422928151,0.0,0.0,0.11067466666666656,1.5838025335668249E-15,-0.031621333333331704,-0.055337333333333016,-0.015810666666668097,0.031621333333331815,0.015810666666666192,0.0,0.0,4.696646662628665,7.549516567451064E-15,-1.341899046465326,-2.348323331314329,-0.6709495232326695,1.3418990464653264,0.6709495232326645,0.0,0.0,25.512259212761954,2.2648549702353193E-14,-7.289216917931968,-12.756129606380995,-3.64460845896602,7.289216917931973,3.644608458965991,0.0,0.0,1.6613756613756603,-0.4325396825396828,-0.10052910052910047,-0.5629251700680278,-0.19538926681783864,0.2607709750566894,0.19992441421012852,0.0,0.0,0.001363517483927113,-6.701685270735007E-5,-1.8985048340082488E-4,-2.1007567751329788E-4,-6.617343537005497E-5,2.804895058784283E-4,6.114716884195994E-4,0.0,0.0,26.903557555555558,2.740664837931815E-14,-3.843365365079354,-4.708122572222218,-1.4946420864197665,5.978568345678991,13.451778777777749,0.0,0.0,50.028314097605026,0.0,-7.146902013943578,-8.754954967080888,-2.779350783200277,11.117403132801122,25.014157048802517,0.0,0.0,0.005270222222222217,7.54191682650869E-17,-7.528888888888501E-4,-9.222888888888836E-4,-2.927901234568166E-4,0.0011711604938271043,0.002635111111111032,0.0,0.0,0.22364984107755548,3.5950078892624117E-16,-0.031949977296793476,-0.03913872218857215,-0.012424991170975362,0.04969996468390098,0.11182492053877742,0.0,0.0,1.2148694863219978,1.0785023667787234E-15,-0.17355278376028496,-0.2126021601063499,-0.06749274924011149,0.2699709969604434,0.6074347431609984,0.0,0.0,0.0791131267321743,-0.020597127739984893,-0.0023935500125976303,-0.009382086167800462,-0.003618319755885901,0.009658184261358867,0.03332073570168809,0.0,0.0,-0.049149976804354976,-0.13923582619126382,-0.15406892833398203,-0.04853141683190347,0.20571023781123873,0.4484516668304677,0.0,0.0,1.018699788038207E-15,-0.14285714285714243,-0.17499999999999985,-0.055555555555556045,0.22222222222222143,0.4999999999999989,0.0,0.0,0.0,-0.1428571428571429,-0.17500000000000016,-0.05555555555555551,0.22222222222222232,0.5000000000000001,0.0,0.0,1.4310434187590292E-14,-0.14285714285713563,-0.17499999999999916,-0.05555555555556064,0.22222222222221177,0.4999999999999855,0.0,0.0,1.6074269813658236E-15,-0.14285714285714213,-0.17499999999999974,-0.055555555555555816,0.22222222222222116,0.49999999999999856,0.0,0.0,8.877516300486531E-16,-0.1428571428571425,-0.17500000000000024,-0.05555555555555597,0.2222222222222218,0.4999999999999996,0.0,0.0,-0.2603503184713379,-0.030254777070063698,-0.11859076433121038,-0.045736022646850796,0.12208067940552028,0.4211783439490449,0.0,0.0,1.477163724443234,1.2742177849855751,1.1332470204443583,0.8491427218460712,0.4293312524610104,0.0036571324169041492,0.0,0.0,1.428571428571429,1.3265306122448988,1.1428571428571435,0.8333333333333337,0.3968253968253968,0.0,0.0,0.0,1.4285714285714286,1.3265306122448974,1.1428571428571423,0.8333333333333331,0.3968253968253969,0.0,0.0,0.0,1.4285714285714282,1.3265306122448972,1.1428571428571423,0.8333333333333329,0.3968253968253968,0.0,0.0,0.0,1.4285714285714293,1.3265306122448985,1.1428571428571435,0.8333333333333338,0.39682539682539697,0.0,0.0,0.0,1.4285714285714297,1.3265306122448992,1.1428571428571437,0.8333333333333344,0.39682539682539714,0.0,0.0,0.0,1.751592356687899,0.9792993630573256,1.1007165605095548,0.9164897381457896,0.6130573248407647,0.0,0.0,0.0,24.340899268177914,12.17044963408896,17.878314744586095,24.340899268177914,3.4772713240254167,12.170468520160025,7.105427357601002E-15,0.011449771148558163,0.0016356815926511661,-3.128849875344984,28.150736082299947,4.02153372604285,2.3363014519710363,24.340899268177914,12.17044963408896,17.878314744586095,24.340899268177914,3.4772713240254167,12.170468520160025,7.105427357601002E-15,0.011449771148558163,0.0016356815926511661,-3.128849875344984,28.150736082299947,4.02153372604285,2.3363014519710363,24.340899268177914,12.17044963408896,17.878314744586095,24.340899268177914,3.4772713240254167,12.170468520160025,7.105427357601002E-15,0.011449771148558163,0.0016356815926511661,-3.128849875344984,28.150736082299947,4.02153372604285,2.3363014519710363,24.340899268177914,12.17044963408896,17.878314744586095,24.340899268177914,3.4772713240254167,12.170468520160025,7.105427357601002E-15,0.011449771148558163,0.0016356815926511661,-3.128849875344984,28.150736082299947,4.02153372604285,2.3363014519710363,24.340899268177914,12.17044963408896,17.878314744586095,24.340899268177914,3.4772713240254167,12.170468520160025,7.105427357601002E-15,0.011449771148558163,0.0016356815926511661,-3.128849875344984,28.150736082299947,4.02153372604285,2.3363014519710363,24.340899268177914,12.17044963408896,17.878314744586095,24.340899268177914,3.4772713240254167,12.170468520160025,7.105427357601002E-15,0.011449771148558163,0.0016356815926511661,-3.128849875344984,28.150736082299947,4.02153372604285,2.3363014519710363,26.751820996779713,13.224273729235897,19.439098086073123,26.711855010385165,3.81597928719788,13.224280423959872,-0.09325396825395593,0.0011660807335232698,1.6658296193189568E-4,-4.727874867605704,26.929183150747765,3.847026164392538,2.3052474018336904,0,11.900000000000004,12.100104053883227,-0.15139019115056224,0.04872733550160613,5.8403700602095565,7.811257142924839,7.0,21.0,21.0,21.0,7.0,0.0,0.0,0.0,0.0,0.0,15.304897999999996,3.6197098330530943,2.94787027311527,2.750129471945496,2.1977879399621476,1.4567974870365563,1.2821577765010923,0.9090561383423079,0.08392307051869155,1.9927823579102364,1.5269479999058522,1.3728744165178635,1.0893552807370805,0.6662064014268081,0.5699247655806619,0.3579562042466254,0.08392307051869093,3.644947749356346,2.9869683460868512,2.7929956936812457,2.2664482809082016,1.5561429069408659,1.390133583269182,1.0400766436234659,0.27091390189293757,1.9381809647527541,1.4439181050765415,1.2852290050479291,0.9759312575713436,0.5220817917883055,0.41918513259503276,0.196789633783692,0.2709139018929367,3.755653421691269,3.16013050148263,2.9815376553220236,2.554776995342588,1.9628467004754984,1.827874832159026,1.5481235725053355,0.9439184268026232,1.7777171985683315,1.19473465228965,1.0189282736728735,0.6093393745422877,0.03761922851940053,0.09239752721910019,0.36242650901343343,0.9439184268026215,3.663523345655228,3.0158743852133183,2.8246242639791523,2.3163811182692204,1.627873750349141,1.4678472411933001,1.1327746380447525,0.39927724550898247,1.9034343826990332,1.3905278766103089,1.2285965048401601,0.9009107380509869,0.4253470184701714,0.3176672145070364,0.08747428896353765,0.39927724550898164,3.809466637891676,3.244459316141077,3.072480534273648,2.686061154837383,2.14154849391796,2.018054306609657,1.7602989917778404,1.2076448229620902,1.7276359691018186,1.1161788367454777,0.933903670955869,0.4840383035956932,0.13516428868844024,0.27697669957704085,0.5707601174187606,1.2076448229620873,3.681198327157727,3.1220165498065287,2.8689844443837957,2.4701347308616985,1.7618436798051862,1.6109490058562284,1.2962021870226337,0.6461538461538466,1.867136901601825,1.2702564826726792,1.1464590644205654,0.7167701099097935,0.25359982899918104,0.13731757337423803,0.10328795916141943,0.6461538461538459,0,0,0,0,0,1,5,1,0,0.0,0.0,0.0,0.10206207261596577,0.10206207261596577,0.0,0.0,0.0,0.10206207261596577,0.10206207261596577,0.2886751345948129,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.4082482904638631,0.4330127018922194,0.4082482904638631,5.112884175122364,3.393846850117352,2.7431821564919865,1.893846850117352,1.3067128222475324,0.9010475702906074,0.20412414523193154,0.0,0.7304120250174806,0.48483526430247886,0.3428977695614983,0.236730856264669,0.16333910278094155,0.11263094628632593,0.10206207261596577,0.0,5.112884175122364,3.393846850117352,2.7431821564919865,1.893846850117352,1.3067128222475324,0.9010475702906074,0.20412414523193154,0.0,0.7304120250174806,0.48483526430247886,0.3428977695614983,0.236730856264669,0.16333910278094155,0.11263094628632593,0.10206207261596577,0.0,10.792794626501124,20.214857975236704,19.078431372549026,19.320000000000004,12.589881437125744,161.19778562874254,0.5139426012619582,0.9626122845350812,0.9084967320261441,0.9200000000000002,0.5995181636726544,7.676085029940121,2.5866000000000007,32.24899999999998,25.811642861587288,34.91599912277318,51.623285723174575,7.374755103310654,25.811642861597285,0.0633099150090713,0.00904427357272447,-1.9317993288185376,26.809138241687002,3.8298768916695716,2.3021199659948364,45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,5.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3602777777777777,0.0,7.437175925925926,0.0,0.0,0.0,1.0358796296296295,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3602777777777777,0.0,1.4861111111111112,0.0,0.0,0.0,1.0358796296296295,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3602777777777777,0.0,1.4904166666666667,0.0,0.0,0.0,1.0358796296296295,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.833333333333332,1.5476190476190474,0.2,2.3602777777777777,0.2,1.0358796296296295,5.0446076388888885,0.2974537037037038,0.3602777777777778,0.7205555555555556,0.2974537037037038,0.3602777777777778,0.7205555555555556,3.5,0.5,0.0,0.0,0.43333,0.7,0.43333,0.43333,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.14286,0.14286,0.0,3.5,0.5,3.5,0.5,0.0,0.0,-3.5,-0.5,0.0,0.0,6.62679,0.94668,6.62679,0.0,0.0,3.39384,0.48483,3.39384,0.0,0.0,0.02016,0.00288,0.10616,0.01517,0.2857142857142857,7.0,0,0,0,0,0,0,1.0,0.9182958340544896,1.3012407854814618,2.262362377388257,2.6294817080809567,2.4156614701917634,2.297079327540665,19.28421251514428,27.3260564951107,47.5096099251534,55.21911586970009,50.72889087402703,48.23866587835396,0.2090686409165615,0.29625381324518285,0.5150726051026143,0.5986547544228801,0.5499742476862058,0.5229766217778127,3.474021588724271,3.0910766372972986,2.1299550453905036,1.762835714697804,1.9766559525869973,2.095238095238096,0.2090686409165615,0.29625381324518285,0.5150726051026143,0.5986547544228801,0.5499742476862058,0.5229766217778127,6.732876570223358,11.328215987347024,14.83801524825908,14.161133492986076,13.29390227484255,13.174392223130578,27.64912501682698,22.75804087611435,20.115144643884904,21.306131893539153,22.811949047291325,22.78031708493046,5.142857142857143,2.34375,1.5,0,0,0,2.23,0.9863000000000011,0.0,1.8505358624357668,1.0,0.0,6.083643418932058,3.041821709466029,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.089,0.084,0.23800000000000002,0.23299999999999998,3.395,8.0,8.0,8.0,8.0,2.0,0.0,0.0,0.0,0.0,48.0,2.0794415416798357,2.1972245773362196,2.1972245773362196,2.1972245773362196,2.1972245773362196,1.0986122886681098,0.0,0.0,0.0,0.0,3.8918202981106265,1.0,0.25,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.14285714285714285,0,3.0,4.0,0.3333333333333333,1.0,0.44444444444444464,0.1875,0.1111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.14285714285714285,0.05555555555555558,0.0375,0.1111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.3470238095238095,12.17044963408896,17.878314744586095,24.340899268177914,3.4772713240254167,12.170468520160025,0.011449771148558163,0.0016356815926511661,-3.128849875344984,28.150736082299947,4.02153372604285,2.3363014519710363,0.0,117.27189238106679,3.807354922057604,3.4339872044851463,4.143134726391533,4.890349128221754,5.616771097666572,6.368187186350492,7.099201743553092,7.851271997109883,8.583542571957771,9.335650562941629,71.32209621867786,2.70805020110221,0.0,3.8501476017100584,0.0,5.209486152841421,0.0,6.652863029353347,0.0,8.12415060330663,8.388905171114706,98.109550448,4.671883354666666,13.676825320436386,1.9538321886337695,0.0,0.0,0.0,42.0,5.0,3.9219999999999997,30.0,1.220523192758296,2.086009777318959,2.7951129733599234,3.5201647467175325,4.282982797656709,5.172514281349217,0.0,0.0,0.0,0.0,78.01718707738914,81.31531847814324,56.59167440546731,30.175242309069485,13.800769075639332,5.255605550764812,0.0,0.0,0.0,0.0,287.7972293591157,350.2878402779964,318.29983198738915,258.28598952211036,204.39910545438403,160.781111986796,0.0,0.0,0.0,0.0,8.889594735365016,14.900635892903953,19.61743960699723,24.281427822382145,29.11513643204671,34.75135098873059,0.0,0.0,0.0,0.0,2.160803210303612,2.850202542112456,2.89251581313391,2.695811097581915,2.4741647222247027,2.2997666000036134,0.0,0.0,0.0,0.0,174.29097050289096,318.5132427906527,451.93081223622795,601.206483921215,764.9113220553937,956.489195968993,0.0,0.0,0.0,0.0,2.257719182939433,3.3182283630572313,4.028833778901603,4.510597635967874,4.884513347810407,5.172514281349217,0.0,0.0,0.0,0.0,0.4472492959265418,0.599087963548604,0.619984823565195,0.591387275257565,0.5558055915580115,0.5296654624101599,0.0,0.0,0.0,0.0,314.1330854201993,114.37424584988614,8.142541554470991,80.35130447869756,-29.255498001786325,-4.270193300937014,233.78178094150172,143.62974385167246,12.412734855408004,0.7963130949255282,0.28993351518725324,0.02064097278109752,0.2036869050744719,-0.07416135784050738,-0.010824745947568243,123.92059854904537,45.11885459423876,3.212105537341904,31.697335324859502,-11.540837280423075,-1.6845245990704942,0.0813888594091301,0.17115684834835573,1.4205852500874265,1.4210201461083327,394.48438989889684,0.0,1.0,0.0,496.6404669187713,22.285431719371545,7.919188875747506,632.2589720637982,25.144760330211902,8.582852854112534,790.8053427324278,28.121261400094195,9.247475689004963,1.4272387019495398,1.2179893648573346,271.9529740364117,197.38155740996802,114.02628337259131,1.3778033652432704,2.385002527424142,1.7310180738330805,3.4229336514203723,3.6514738270365092,5.904977379424101,0.6171490360144541,3.9052290452063976,4.7968048888712405,7.969768476348465,9.568090312299915,15.548896778022826,6.287160949393857,7.273722887250801,3.3072079763999263,4.049061660958628,0.0014652384881715325,0.4053802181193027,4.204559737593977E-16,8.411131199276033E-53,3.245369812516391E-111,2.4151821033893575E-191,3.466661812350141E-293,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.32830663479712807,4.6238248842365595,0.5564747607633308,3.1802784090426934,0.8876083744413565,1.1475778914662509,0.793745194214899,0.09681995311310283,0.10681986216331103,1.0319834901474608E-5,0.0028551260222434045,2.9613058018900536E-18,5.9240284775042604E-55,2.2857404948141296E-113,1.701032503222478E-193,2.441598259697388E-295,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0584325729245327,4.635384542313382,1.8460034962675713,3.788619827105222,3.1207441622538687,2.047871651525388,1.3328860120762818,0.43163547318226797,0.4983511726797216,1.0754031891855352E-4,0.029752614465510203,3.0859089634468704E-17,6.173294418555847E-54,2.3819178271148E-112,1.7726070186531866E-192,2.5443336348199914E-294,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.6862523535453633,4.777813479472122,7.436800467934811,8.930971495018468,14.382641084414587,5.919877178853043,6.599825449215949,2.997290473325168,3.661556604842968,0.0013055011413115676,0.36118647606432813,3.7461870292264593E-16,7.494166468397237E-53,2.8915660747988765E-111,2.151883772286363E-191,3.0887332626108323E-293,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5596411945289606,4.650371528738134,2.7976405284129497,4.412749493454424,4.879246726179488,2.7100782937079324,1.9356446963925744,0.7566368725168658,0.8898021721425381,2.3359184346798608E-4,0.06462665436062404,6.703006628214734E-17,1.3409220393618165E-53,5.173843808140009E-112,3.850339312012837E-192,5.5266326455523515E-294,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.716001245511001,4.8766610262468335,10.032956971820818,12.206438932755207,20.172107755244042,7.706818675772605,10.083599113158778,4.583427298195511,5.649776526892697,0.002136912497729739,0.5912089498564949,6.131955226143463E-16,1.2266844362804395E-52,4.73306686659564E-111,3.5223161151805405E-191,5.055800450982958E-293,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.601157948907433,4.4814003694371545,4.760347267566737,6.27949201182023,8.680432559223165,4.333192323433242,3.9379324286691473,1.7397352415732297,2.084171634807932,6.117589634672257E-4,0.16925223781359766,1.75546588807474E-16,3.511771700715485E-53,1.3549899051547727E-111,1.0083742557109651E-191,1.447382588635657E-293,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4921002989543553,1.4994634305385488,0.6524423753846474,0.5366272659152899,0.32288145120302014,0.4901731005178149,0.5104509228826816,0.4269358336079639,4.644006104877551,6.3410785846857936,13.423140011580736,0.30494089887293474,1.4275598570084602,1.8147810840777934,0.9613001879249503,0.20158506098495943,0.6094642183286182,0.32283677229893315,0.25963264921302986,0.20908515661703952,0.0408228087626207,2.977666332987703,2.3041659096825042,5.633507339289316,0.41419632749292723,0.5095406145926901,2.083545390732299,1.175183169504455,0.38075384269895335,0.5724839853743087,0.32289843428189674,0.3423198751850522,0.31295454453533544,0.14557910400904028,3.639482402935707,3.6893208977101533,8.26109716119688,0.35872597806146295,0.800853523729428,2.4753090838805996,1.486152987280914,0.6412901559307168,0.537788905800903,0.32288355183085427,0.4835680150785542,0.5013946047229294,0.4124907952372554,4.60275222709223,6.219134618781523,13.180993240250352,0.30668335870135444,1.397453415038739,2.2034552285476368,1.2704548474741928,0.4605709892517008,0.5600370651153329,0.3229027733002622,0.38293744072344116,0.3659726075861078,0.21294925245154656,3.9344810652735305,4.399372576585526,9.623171636773561,0.3400555976729994,0.9618593007610956,2.5446754515843275,1.5411313677693892,0.6873541625733671,0.533121648571961,0.3228743747811294,0.5111479341794479,0.5393274275414789,0.47375423263668076,4.773160981927084,6.730075483982769,14.198818960283365,0.2996824728579416,1.5242295943576076,2.4857403086036816,1.488012849760107,0.643571906095715,0.5383507277269547,0.32226729307270274,0.4875827270410744,0.5026571182204502,0.4153002080980515,4.617325064459504,6.256209414850983,13.253986946906922,0.307526091590432,1.405540053359576 +UMLCN0219,L,propylcyclohexane,CCCC1CCCCC1,Naphthenes,,C9H18,Creton (2011),Unknown,PubChem,,52,0,-0.6399999999999997,0.4095999999999996,33.7033,27.84227399999997,0,0,27,9,18,0,9,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1316.666240999998,1516.3046729999994,1864.4428419999979,1646.696359999996,1133.218636999996,728.6141550000003,338.1488890000006,76.792464,6.0963840000000005,4371.159515500713,5876.911210413301,8447.051418400233,8742.806457864113,6793.434415746202,4696.184853896375,2775.8393972789218,1071.0229927474766,186.50246658558157,188.79699600000006,195.98202000000003,384.58928800000007,545.7849920000001,500.21387599999963,374.04490799999996,268.43050000000017,143.083584,40.310784,33.10313228728198,45.14389758000001,70.19563558848998,78.8534967351679,64.47043818456412,45.75844906062109,29.04923005637597,12.681528027584006,2.6676774290939997,4469.666941246483,3897.3550636422005,8323.286703381093,12750.376526586171,12037.806232422867,9111.691026657023,6708.5336726525775,3724.2951709524846,1109.505912145494,39.52777777777778,48.58333333333333,83.5,107.16666666666667,94.91666666666666,72.25,50.0,24.5,6.0,48.76541633333326,56.159432333333314,34.52671929629626,21.111491794871743,15.739147736111057,13.492854722222228,8.670484333333349,3.6567839999999996,1.016064,161.89479687039676,217.6633781634556,156.42687811852284,112.08726228030915,94.3532557742528,86.96638618326621,71.17536916099799,51.00109489273698,31.083744430930263,6.992481333333336,7.258593333333335,7.1220238518518535,6.997243487179489,6.947414944444439,6.926757555555555,6.882833333333338,6.813504,6.718464,1.2260419365659994,1.671996206666667,1.2999191775646293,1.0109422658354859,0.8954227525633905,0.847378686307798,0.7448520527275889,0.6038822870278098,0.44461290484899996,165.54322004616603,144.34648383860002,154.1349389515017,163.46636572546373,167.19175322809537,168.7350190121671,172.01368391416867,177.34738909297545,184.917652024249,1.4639917695473252,1.7993827160493825,1.5462962962962963,1.373931623931624,1.318287037037037,1.337962962962963,1.2820512820512822,1.1666666666666667,1.0,0.03706950509404603,-0.0016377203019241596,-0.013958174463950366,-0.007365088394165102,-0.0010774982968135526,-3.908839845217422E-4,-6.90326475810498E-4,0.0029549773315137493,0.0036299620386486897,726.3960540000007,7.318590178329032E-13,-242.1320179999994,-161.42134533333314,-80.710672666667,-40.35533633333387,-5.009326287108706E-13,80.71067266666628,80.7106726666665,1350.7644806353373,-5.258016244624741E-13,-450.254826878446,-300.1698845856305,-150.0849422928153,-75.0424711464077,7.105427357601002E-15,150.08494229281527,150.0849422928152,0.14229599999999987,2.0383000842727483E-15,-0.04743199999999789,-0.03162133333333303,-0.015810666666667417,-0.007905333333334208,-1.1249681741709594E-15,0.015810666666665623,0.015810666666666192,6.038545709094,1.6486811915683575E-14,-2.0128485696979825,-1.3418990464653309,-0.6709495232326725,-0.3354747616163407,-9.325873406851315E-15,0.6709495232326579,0.6709495232326628,32.80147613069398,-1.9984014443252818E-13,-10.933825376898186,-7.2892169179319914,-3.6446084589658962,-1.822304229482904,1.1102230246251565E-13,3.644608458966098,3.644608458966041,1.995884773662553,-0.34567901234567816,-0.6028806584362137,-0.3636259716506624,0.2681755829903971,-0.06275720164609147,-0.1298582533150443,0.04641060813900302,0.1922725194330131,0.001372944633112816,-6.065630747867258E-5,-2.5848471229537715E-4,-9.442421018160387E-5,-1.4965254122410452E-5,-7.238592305958189E-6,-1.7700678866935844E-5,1.407132062625595E-4,6.04993673108115E-4,26.903557555555583,2.7105889549366785E-14,-4.483926259259248,-2.0695044273504246,-1.1209815648148194,-0.7473210432098865,-1.2844426377201811E-14,3.8433653650793467,13.451778777777749,50.02831409760509,-1.9474134239350895E-14,-8.338052349600853,-3.848331853661929,-2.0845130874002127,-1.3896753916001428,1.8219044506669235E-16,7.146902013943584,25.014157048802534,0.005270222222222217,7.54925957138055E-17,-8.783703703703314E-4,-4.054017094017055E-4,-2.19592592592603E-4,-1.4639506172841127E-4,-2.884533779925537E-17,7.528888888888392E-4,0.002635111111111032,0.22364984107755553,6.106226635438361E-16,-0.0372749735129256,-0.017203833929042702,-0.009318743378231563,-0.006212495585487791,-2.391249591500337E-16,0.03194997729679323,0.11182492053877713,1.214869486321999,-7.401486830834377E-15,-0.2024782477203368,-0.09345149894784605,-0.050619561930081894,-0.033746374620053775,2.846725704167068E-15,0.17355278376029037,0.6074347431610069,0.07392165828379825,-0.012802926383173265,-0.011164456637707662,-0.0046618714314187485,0.0037246608748666265,-0.0011621704008535458,-0.003329698802949854,0.002210028959000144,0.032045419905502186,-0.044179718552196275,-0.1882703104416719,-0.06877495851199773,-0.010900114805416734,-0.005272311884526947,-0.01289249285078881,0.10249008071325261,0.4406540937753913,1.0075206408443712E-15,-0.16666666666666607,-0.07692307692307675,-0.041666666666666796,-0.02777777777777812,-4.774248294367091E-16,0.14285714285714202,0.4999999999999984,-3.8926225259873677E-16,-0.16666666666666674,-0.0769230769230769,-0.04166666666666668,-0.027777777777777804,3.641746645934127E-18,0.14285714285714285,0.4999999999999998,1.432436670231595E-14,-0.16666666666665944,-0.07692307692307626,-0.041666666666668684,-0.02777777777778088,-5.4732678401353215E-15,0.14285714285713358,0.4999999999999855,2.7302620051140085E-15,-0.16666666666666524,-0.07692307692307679,-0.04166666666666704,-0.027777777777778394,-1.069193512492199E-15,0.14285714285714102,0.49999999999999717,-6.0924131473927115E-15,-0.16666666666666963,-0.07692307692307689,-0.04166666666666551,-0.027777777777776333,2.343235825920274E-15,0.1428571428571468,0.500000000000006,-0.17319587628865926,-0.1510309278350514,-0.06306502775574925,0.050386597938144165,-0.015721649484536308,-0.045043616177637066,0.029896907216494708,0.43350515463917466,1.490006861920608,1.3359718291321885,1.0147129353065383,0.8996642608910159,0.9220973275513485,0.8442363145915415,0.5695202634943834,0.004250454452837611,1.4444444444444438,1.3641975308641971,1.0555555555555554,0.9328703703703701,0.8827160493827158,0.7777777777777773,0.5158730158730154,0.0,1.4444444444444426,1.3641975308641954,1.0555555555555538,0.9328703703703689,0.8827160493827148,0.7777777777777769,0.5158730158730154,0.0,1.4444444444444438,1.3641975308641967,1.055555555555555,0.9328703703703699,0.8827160493827155,0.7777777777777776,0.5158730158730158,0.0,1.4444444444444449,1.3641975308641976,1.0555555555555551,0.9328703703703706,0.8827160493827163,0.777777777777778,0.5158730158730159,0.0,1.4444444444444442,1.3641975308641967,1.055555555555555,0.9328703703703699,0.8827160493827161,0.7777777777777776,0.5158730158730157,0.0,1.6752577319587616,1.1458762886597926,0.8884020618556692,0.7513530927835046,1.0855670103092776,1.127319587628865,0.8529455081001467,0.0,43.16860760068087,21.584303800340436,32.83143626202035,43.16860760068087,4.796511955631208,21.584303802155944,7.105427357601002E-15,0.1321491349920785,0.014683237221342056,-1.8214417652448018,74.38584677350923,8.26509408594547,3.8783391229834896,43.16860760068087,21.584303800340436,32.83143626202035,43.16860760068087,4.796511955631208,21.584303802155944,7.105427357601002E-15,0.1321491349920785,0.014683237221342056,-1.8214417652448018,74.38584677350923,8.26509408594547,3.8783391229834896,43.16860760068087,21.584303800340436,32.83143626202035,43.16860760068087,4.796511955631208,21.584303802155944,7.105427357601002E-15,0.1321491349920785,0.014683237221342056,-1.8214417652448018,74.38584677350923,8.26509408594547,3.8783391229834896,43.16860760068087,21.584303800340436,32.83143626202035,43.16860760068087,4.796511955631208,21.584303802155944,7.105427357601002E-15,0.1321491349920785,0.014683237221342056,-1.8214417652448018,74.38584677350923,8.26509408594547,3.8783391229834896,43.16860760068087,21.584303800340436,32.83143626202035,43.16860760068087,4.796511955631208,21.584303802155944,7.105427357601002E-15,0.1321491349920785,0.014683237221342056,-1.8214417652448018,74.38584677350923,8.26509408594547,3.8783391229834896,43.16860760068087,21.584303800340436,32.83143626202035,43.16860760068087,4.796511955631208,21.584303802155944,7.105427357601002E-15,0.1321491349920785,0.014683237221342056,-1.8214417652448018,74.38584677350923,8.26509408594547,3.8783391229834896,47.01947686426847,23.35246984344049,35.773051967351876,46.96717919623005,5.218575466247783,23.352469843754815,-0.09413580246914677,0.1020013718151882,0.011333485757243134,-2.054492114957814,60.42094304997691,6.7134381166641015,3.691202205670776,0,11.900000000000002,12.100148700936508,-0.15127037046245892,0.04889414144689988,5.305339789034766,8.754380451697108,9.0,27.0,27.0,27.0,9.0,0.0,0.0,0.0,0.0,0.0,19.677725999999996,3.6471404820497604,3.219455431749249,2.7501294719455034,2.7501294719454963,2.1396182521314127,1.4567974870365559,1.4567974870365552,1.217470913285144,2.0070951499787615,1.732765062597035,1.3728744165178637,1.3728744165178635,1.0426007212711612,0.6662064014268083,0.6662064014268075,0.5541176551850832,3.6713752250768037,3.2547442341393342,2.792995693681243,2.792995693681243,2.208065272856688,1.5561429069408668,1.5561429069408663,1.3331668783943293,1.9541490852936805,1.6595801723883443,1.285229005047929,1.2852290050479271,0.9266441502908737,0.5220817917883063,0.522081791788306,0.40079494968736407,3.7778479852705784,3.4092724541750643,2.9815376553220245,2.9815376553220236,2.498084193318487,1.9628467004754993,1.962846700475499,1.793350348208208,1.799105768245635,1.4399079187916057,1.018928273672877,1.0189282736728753,0.5533462114958401,0.037619228519400555,0.03761922851940018,0.12400652587107516,3.6892206160603394,3.280722664578769,2.8246242639791523,2.8246242639791506,2.2580088145142105,1.6278737503491432,1.627873750349142,1.415821611422167,1.920507120748945,1.612560919465752,1.228596504840162,1.2285965048401593,0.8500350566959104,0.4253470184701716,0.4253470184701714,0.29726045528741857,3.8297198286400134,3.483840753237032,3.0724805342736468,3.072480534273644,2.6312101318293233,2.1415484939179605,2.14154849391796,1.990035364844464,1.750873165622509,1.3702673895020956,0.9339036709558726,0.9339036709558717,0.42659657541481133,0.13516428868844058,0.13516428868844116,0.3158064205288591,3.6951939780134295,3.3813811521786636,2.909049071468014,2.875016701238668,2.3957299048606617,1.7757242005363651,1.7671459297194276,1.5764452791892467,1.8929542000666055,1.5027011238101415,1.1406399056230445,1.1118843274776538,0.6774722066514745,0.24851067714228695,0.2410596158405717,0.10511103454528829,0,0,0,0,0,1,7,1,0,0.0,0.0,0.0,0.10206207261596577,0.07216878364870323,0.0,0.0,0.0,0.10206207261596577,0.07216878364870323,0.20412414523193154,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.4330127018922194,0.6546479303772353,0.637136847124151,0.4330127018922194,0.6546479303772353,0.637136847124151,6.52709773749546,4.431851652578137,3.2927109793486995,2.421668296450265,1.8840630914371586,1.3092958607544707,0.49279927982674443,0.24639963991337224,0.72523308194394,0.49242796139757083,0.32927109793486997,0.22015166331366046,0.15700525761976322,0.10910798839620589,0.0821332133044574,0.06159990997834306,6.52709773749546,4.431851652578137,3.2927109793486995,2.421668296450265,1.8840630914371586,1.3092958607544707,0.49279927982674443,0.24639963991337224,0.72523308194394,0.49242796139757083,0.32927109793486997,0.22015166331366046,0.15700525761976322,0.10910798839620589,0.0821332133044574,0.06159990997834306,13.876450234072873,25.99053168244719,24.52941176470589,24.839999999999996,16.18699041916167,207.25429580838326,0.5139426012619582,0.9626122845350812,0.9084967320261441,0.9199999999999998,0.5995181636726544,7.676085029940121,3.3668000000000022,41.483000000000004,37.5046319563535,54.266871783488,75.00926391270698,8.334362656967443,37.5046319563535,0.13643752829959288,0.015159725366621432,-1.7926995935285996,35.32189190055228,3.92465465561692,3.2080526449825744,81,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,7.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7999999999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.300204081632653,0.0,10.432434807256236,0.0,0.0,0.0,1.1006944444444442,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.300204081632653,0.0,1.3935185185185186,0.0,0.0,0.0,1.1006944444444442,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.300204081632653,0.0,1.5216666666666667,0.0,0.0,0.0,1.1006944444444442,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.833333333333332,1.537037037037037,0.2,2.300204081632653,0.2,1.1006944444444442,6.4899168792517,0.23263888888888898,0.30020408163265305,0.7060185185185186,0.23263888888888898,0.30020408163265305,0.7060185185185186,4.5,0.5,0.0,0.0,0.43333,0.7,0.43333,0.43333,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.11111,0.11111,0.0,4.5,0.5,4.5,0.5,0.0,0.0,-4.5,-0.5,0.0,0.0,9.45555,1.05062,9.45555,0.0,0.0,4.43185,0.49243,4.43185,0.0,0.0,-0.01785,-0.00198,0.06815,0.00757,0.2222222222222222,9.0,0,0,0,0,0,0,1.0,0.9182958340544896,1.247104743631437,2.2523826349302514,3.1056532424234384,3.259904984511606,2.875076853935192,24.79398751947122,33.671828078048804,60.81433114311679,83.85263754543284,88.01743458181336,77.62707505625018,0.193126721428565,0.2622784961923927,0.47369840693505777,0.6531496783068725,0.6855903495147577,0.6046571769841105,3.8365916681089796,3.507782758532032,2.5025048672332177,1.6492342597400307,1.494982517651863,1.8798106482282773,0.193126721428565,0.2622784961923927,0.47369840693505777,0.6531496783068725,0.6855903495147577,0.6046571769841105,6.732876570223358,10.678583485146728,15.820596032182651,17.80210667396329,16.636423056904068,15.43434845107658,35.548875021634686,30.339299215212606,23.960758274466887,21.479589363310225,22.913505020519235,25.10844029708874,7.111111111111111,3.92,2.3801652892561984,3,0,3,2.45,1.268100000000001,0.0,2.085481946770769,0.33333333333333337,0.0,9.563073857754226,4.445544946128441,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.089,0.084,0.23800000000000002,0.23299999999999998,4.393,10.0,11.0,12.0,12.0,6.0,4.0,2.0,0.0,0.0,75.0,2.302585092994046,2.3978952727983707,2.4849066497880004,2.5649493574615367,2.5649493574615367,1.9459101490553132,1.6094379124341003,1.0986122886681098,0.0,0.0,4.330733340286331,1.0,0.5,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.2222222222222222,3.0,0.3333333333333333,1,3.0,6.0,1.0,1.0,0.44444444444444464,0.1875,0.15111111111111114,0.09027777777777779,0.04,0.0,0.0,0.0,0.0,0.1111111111111111,0.04444444444444447,0.0234375,0.030222222222222227,0.030092592592592598,0.04,0.0,0.0,0.0,0.0,0.27930787037037036,21.584303800340436,32.83143626202035,43.16860760068087,4.796511955631208,21.584303802155944,0.1321491349920785,0.014683237221342056,-1.8214417652448018,74.38584677350923,8.26509408594547,3.8783391229834896,0.0,151.8638616328001,4.169925001442312,3.6635616461296463,4.394449154672439,5.153291594497779,5.905361848054571,6.673297967767654,7.430707082545968,8.200562797008564,8.95944014361693,9.729669736233394,78.11034197052693,2.9444389791664403,0.0,4.07753744390572,0.0,5.43372200355424,0.0,6.88653164253051,0.0,8.379997952238393,8.639410824140487,126.14085057599999,4.671883354666666,17.70058553174531,1.966731725749479,0.0,0.0,0.0,94.0,8.0,5.06,38.0,1.2269995202934896,2.102660163693644,2.8132496942012417,3.5366168651210668,4.185726270685064,4.83938092488771,5.8185718729055536,7.033430928518578,0.0,0.0,78.95148877656192,80.48584786530964,64.39716887804587,60.70102618500809,62.93540780271971,47.71045708024563,22.947281414440006,7.1464159629543005,0.0,0.0,290.5400635315347,350.35484495103333,332.9214788924038,348.65137417091137,384.5054267925151,368.9167074990497,309.3494916060414,218.62536945467204,0.0,0.0,8.938429586765384,15.01941066233393,19.738154811658767,24.606555382256722,29.048182352640577,33.396563851469104,39.70496709015431,47.25385248973864,0.0,0.0,2.178865040166512,2.8608484160135124,2.961447741117981,3.2598165171171534,3.6781662015932306,3.7785044744972143,3.614456229908529,3.127154156183444,0.0,0.0,175.1121322825437,320.9783707736368,455.8527341542456,588.6551804466757,702.2255792823312,825.6393825320275,1027.1210108945797,1300.6055329763888,0.0,0.0,2.26187109290351,3.3218091984251457,3.9411385661168525,4.732459675223368,5.708772527787395,6.37151181912922,6.901467371718855,7.033430928518578,0.0,0.0,0.4508922301650881,0.6016508148844254,0.6329261318976306,0.7030739143253685,0.7963540507804275,0.8268453685868852,0.807168252625902,0.7202233270803023,0.0,0.0,362.42551679148767,170.06093007862023,9.364713380401748,84.31383456257852,-39.56258171649737,-4.515393867022566,278.11168222890916,209.6235117951176,13.880107247424313,0.8112683955263323,0.3806714800546804,0.02096236508383987,0.18873160447366782,-0.08855853328475152,-0.01010744599358981,161.9097402855914,75.972909593992,4.183585981177421,37.66630776266037,-17.67416209392027,-2.0172041272617895,0.06367728303272409,0.1388634064604909,1.1198941834679375,1.3101200610711592,446.7393513540661,0.0,1.0,0.0,620.8036052110712,24.91593075145039,8.530701455586831,795.1702546832483,28.19876335379352,9.264458536326794,1065.6096944409658,32.64367771010132,10.21408311745919,1.4910018178534152,1.4425594144373097,546.8135833619904,492.8780425805645,159.64645129187647,1.109429790174939,3.425153386981767,3.087309730921932,4.178127543163921,4.30136301447153,7.285318514090326,0.6937232429766005,5.020829967110073,7.856395922244516,8.518371580710177,14.92374289290821,18.497872707843833,9.022398135826514,12.295660004322293,13.325676372081373,7.129792283750468,3.638205134612172,3.0621089097457617,2.3728353681156866,2.305700509309904,0.009974898279415705,6.56987306904197E-23,8.355498485802683E-65,2.049574255006495E-128,9.696853947749056E-214,8.85E-321,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4219313889558753,6.528963270574505,0.6384770523255954,5.643913547525322,1.0088058348863786,1.5466183867558303,1.7742325073892642,1.959061802850217,0.45272035332737615,0.22598616477858444,0.592521028863496,0.14287723728199303,0.016240519475693504,7.025402418232764E-5,4.627215321280792E-25,5.884845902522512E-67,1.4435319062034279E-130,6.829573522002534E-216,6.4E-323,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3606646267985216,6.6176657996643735,2.087020611224354,6.461418959953526,3.5618782993617204,2.79523257311675,2.822443567778647,3.7771290588969815,1.2570803046543337,0.7814542341234685,0.9578034117050482,0.49829539707768106,0.16922866666059783,7.321010981172124E-4,4.821915124951097E-24,6.132463154432454E-66,1.5042715431589504E-129,7.116942172812963E-215,6.47E-322,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.739288689073812,7.710655744453427,7.979398902139062,13.974735616903875,17.06748770860644,8.466618363535021,11.262601502681152,12.452193634550536,6.523422178406824,3.3794167608920707,2.8618150139227656,2.2010257889290927,2.0543385259317586,0.008887454783454655,5.85363862352762E-23,7.444598722278402E-65,1.826133761613656E-128,8.639722289722603E-214,7.885E-321,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.005075567569853,6.732672520502278,3.128881211592846,7.34230697654381,5.616397099114137,3.7347185703585035,3.8684530849574057,5.174259445931164,1.9751000156863097,1.204642920403716,1.2497748147206402,0.7719007694656458,0.3675841220904151,0.001590221413311452,1.047384398765092E-23,1.3320529431798027E-65,3.267478802474677E-129,1.5458949412331746E-214,1.413E-321,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.063250599395672,8.469213519717513,10.578177143816065,18.869976175753003,24.202376013091325,11.191605972089164,16.562227636455912,16.761471611925046,9.59927297571294,4.653033768698134,3.859464925686961,3.049041617797818,3.3626433170839594,0.014547451683898316,9.581542424193147E-23,1.2185709278653428E-64,2.989111428714779E-128,1.4141950157206124E-213,1.2905E-320,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.3454209892278644,6.875533993885837,5.118684201973227,9.695452470296116,10.048709254292143,5.674050906347923,6.713307382290628,8.42555363414412,3.9869950322678696,2.0927705589788435,2.1652022678780662,1.5146654769173107,0.975972030713328,0.004222209810244766,2.780918837179037E-23,3.536744605109686E-65,8.675509547973493E-129,4.104518233653106E-214,3.745E-321,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.302273899764155,1.3836465699220963,0.8776422206239596,0.6554784501587229,0.2108072452731767,0.47878438782496846,0.5116515140234105,0.40721487712812604,6.563562690310212,10.943030391580702,22.731044971643982,0.48321767523808434,1.397650778976505,3.5012417924916104,0.8470009187453621,0.41996129933078863,0.7342894273675823,0.17763520958166967,0.3175790777171632,0.19143860199802545,0.09313350790141979,4.768204010567761,4.791648673806763,10.805271021706682,0.6014341410513734,0.6021511876166085,3.819255416919207,1.0601538923385725,0.601852893653682,0.6967839296012053,0.19341419058104073,0.37762176637578376,0.30011216037915794,0.19142680259639464,5.481262202911461,6.985685108179583,14.903848772357447,0.5451758944018079,0.8691607293513364,4.282430216577698,1.3703621318622408,0.8663223194415012,0.6569036494597185,0.21020678446013233,0.4743914137624315,0.5018572604205939,0.39677784872355704,6.519114667881439,10.76562037976235,22.36873042709252,0.48535547418957764,1.3730265229065823,3.9610649575332357,1.1551583962388494,0.6828782345247204,0.683048037221331,0.19919609592114754,0.4060751552017469,0.3564068835062945,0.24648775029284345,5.799101588296805,8.069415015000024,16.99313348026926,0.5245720558319965,1.0089697890008849,4.3644028069625875,1.4252361916773233,0.913078582799717,0.6511392959548192,0.21263557271515046,0.4926697883655914,0.5429278760528284,0.4407602258073635,6.702717581439627,11.50670020734128,23.889044912599072,0.4767089439322288,1.4763578902257835,4.300435463851046,1.3726296802348745,0.8685648606078041,0.6573950927773987,0.2098299168938003,0.47833196987183324,0.503496387222352,0.39883672955879473,6.541630004693724,10.830330391708555,22.49901656378445,0.486092639166098,1.38066508665298 +UMLCN0220,L,bicyclohexyl,C1CCC(CC1)C1CCCCC1,Naphthenes,,C12H22,NREL (2014),Unknown,PubChem,,51,0,-1.317800000000001,1.7365968400000025,40.882400000000004,35.78944599999997,0,0,34,12,22,0,12,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1753.5228599999975,2141.7895089999997,2875.3126240000024,2739.3532460000015,2096.7666819999945,1658.889127999995,1001.0616040000002,370.4915770000008,64.68537599999999,5766.045198472418,8029.925282892694,12364.992225342448,13628.920662907838,11464.019568703916,9115.811391035284,6484.654130367392,3253.9825854674027,956.286376376958,238.29240000000016,254.61461200000002,515.2439680000005,779.6116400000022,753.7730320000018,626.4065600000006,499.7909919999997,336.41347600000006,135.965952,43.24828390667804,60.753674820000015,100.29156730848987,119.63221045880867,104.9076349327517,84.18885159335584,62.79508249456412,34.83322191516798,11.567983717584006,5589.720617613479,5017.022678853801,10921.52341247589,17931.60739017659,17800.11824370894,14969.38835087716,12064.134424045767,8494.119984272369,3571.1726232395845,48.05555555555556,60.44444444444445,111.33333333333334,152.33333333333331,143.0,118.33333333333334,93.0,58.25,22.0,51.57420176470581,61.19398597142856,39.93489755555559,24.678858072072085,19.414506314814762,18.432101422222168,13.903633388888892,7.561052591836751,3.2342687999999997,169.58956466095347,229.42643665407695,171.73600312975623,122.78306903520574,106.14832933985107,101.28679323372538,90.06464069954711,66.4078078666817,47.814318818847894,7.008600000000005,7.2747032,7.156166222222229,7.0235282882883086,6.979379925925942,6.960072888888895,6.941541555555551,6.8655811428571445,6.7982976,1.272008350196413,1.735819280571429,1.3929384348401372,1.0777676617910692,0.9713669901180714,0.9354316843706204,0.8721539235356128,0.7108820799013874,0.5783991858792004,164.40354757686703,143.3435051101086,151.68782517327625,161.54601252411342,164.81590966397167,166.32653723196844,167.55742255619123,173.34938743413,178.55863116197924,1.4133986928104576,1.726984126984127,1.5462962962962965,1.3723723723723722,1.3240740740740742,1.3148148148148149,1.2916666666666667,1.1887755102040816,1.1,0.04523361636645346,9.436810012517245E-4,-0.016829988236122896,-0.009806475972406104,-0.004204542445424883,0.003124877572910481,-0.007161850891938424,0.002950322632785855,0.005579573390259458,940.0419522352943,50.688536640136945,-309.9960092041538,-220.34851465051904,-151.64669639446296,18.432195141869258,-139.07929061591608,90.90423513148893,130.70102009688645,1748.048151410437,94.25749836036721,-576.4508164187703,-409.74747221117855,-281.99350749134317,34.275453949224186,-258.62387979869163,169.04030697685522,243.04412800358975,0.18414776470588187,0.009929536332182527,-0.060726089965394775,-0.04316476124567409,-0.02970654671280347,0.0036107404844280787,-0.02724467820069315,0.0178075155709324,0.025603432525950397,7.814588564709876,0.42137487358732134,-2.5770033591288986,-1.8317618471646102,-1.2606421837901043,0.15322722675900724,-1.1561690746362319,0.7556888228796819,1.0865203352002932,42.448969110309854,2.2889150010455994,-13.998323146894238,-9.950159426035336,-6.847828350237018,0.8323327276533204,-6.280328763200708,4.104913679562414,5.901995705176994,1.7777777777777766,-0.027777777777776083,-0.6666666666666657,-0.3055555555555581,-0.11111111111111394,0.11111111111110922,-0.33333333333333603,0.11111111111110944,0.22222222222222157,0.0013304004813662782,2.6962314321477843E-5,-2.33749836612818E-4,-8.834663038203697E-5,-3.893094856874892E-5,3.4720861921227567E-5,-9.947015127692256E-5,6.021066597522153E-5,2.7897866951297293E-4,27.64829271280277,1.4482439040039128,-4.305500127835469,-1.9851217536082797,-1.4041360777265088,0.20480216824299174,-1.9316568141099455,1.8551884720712026,6.535051004844322,51.41318092383638,2.6930713817247773,-8.006261339149587,-3.691418668569176,-2.6110509952902143,0.3808383772136021,-3.591998330537384,3.4498021832011267,12.152206400179487,0.005416110726643585,2.837010380623579E-4,-8.434179161860386E-4,-3.888717229340008E-4,-2.7506061771114323E-4,4.011933871586754E-5,-3.7839830834296044E-4,3.634186851210694E-4,0.0012801716262975198,0.22984084013852576,0.012039282102494895,-0.0357917133212347,-0.016502358983464957,-0.011672612812871337,0.0017025247417667472,-0.016057903814392108,0.015422220875095548,0.05432601676001466,1.2484990914797016,0.0653975714584457,-0.19442115481797553,-0.08964107591022825,-0.06340581805775017,0.009248141418370227,-0.0872267883777876,0.08377374856249825,0.29509978525884967,0.05228758169934637,-7.936507936507452E-4,-0.009259259259259247,-0.0027527527527527753,-0.001028806584362166,0.0012345679012345468,-0.0046296296296296675,0.0022675736961450905,0.011111111111111079,0.02026631431596328,-0.17569885150128967,-0.06640604210493659,-0.029262578534824415,0.026098052734895558,-0.07476707402779194,0.045257549751776344,0.20969525599274502,0.05238095238095086,-0.15572390572390646,-0.0717990717990718,-0.05078563411896721,0.007407407407407706,-0.06986531986531942,0.06709956709956787,0.2363636363636375,0.05238095238095267,-0.15572390572390538,-0.0717990717990714,-0.050785634118967124,0.007407407407407394,-0.06986531986531974,0.0670995670995668,0.23636363636363597,0.05238095238096621,-0.15572390572389805,-0.0717990717990709,-0.05078563411896878,0.0074074074074054015,-0.06986531986532289,0.06709956709956029,0.23636363636362626,0.05238095238095537,-0.1557239057239041,-0.07179907179907163,-0.0507856341189678,0.007407407407406927,-0.06986531986532055,0.06709956709956563,0.2363636363636341,0.052380952380940475,-0.15572390572391256,-0.0717990717990728,-0.050785634118966465,0.007407407407409063,-0.06986531986531747,0.06709956709957307,0.23636363636364527,-0.01517857142857051,-0.1770833333333332,-0.05264639639639686,-0.019675925925926437,0.023611111111110722,-0.08854166666666745,0.043367346938774885,0.21249999999999952,1.3700496674948894,1.3478843073412148,1.0316140273505285,0.9497294849111148,0.9060921256387607,0.9962959821139511,0.7447104753935019,0.4574117394413798,1.3357142857142863,1.35763888888889,1.072072072072073,0.983796296296297,0.8972222222222228,0.9444444444444451,0.6938775510204084,0.42499999999999993,1.3357142857142836,1.3576388888888864,1.07207207207207,0.9837962962962945,0.8972222222222206,0.9444444444444428,0.6938775510204072,0.4249999999999995,1.3357142857142872,1.3576388888888906,1.0720720720720742,0.9837962962962978,0.8972222222222231,0.9444444444444454,0.693877551020409,0.42500000000000066,1.3357142857142872,1.3576388888888888,1.0720720720720716,0.9837962962962961,0.8972222222222226,0.9444444444444453,0.6938775510204088,0.4250000000000003,1.3357142857142859,1.3576388888888877,1.0720720720720711,0.9837962962962953,0.8972222222222216,0.944444444444444,0.693877551020408,0.4249999999999999,1.4142857142857155,1.3320312500000004,0.9987331081081086,0.9357638888888893,0.9223958333333339,1.0312500000000007,0.7576530612244903,0.4640625000000003,67.74718183203089,33.87359091601544,51.31509801323664,67.74718183203089,5.645598486002573,33.87359091601545,-7.105427357601002E-15,4.718447854656915E-16,3.932039878880763E-17,-42.34785790408894,66.34663728752953,5.528886440627461,5.03387169368406,67.74718183203089,33.87359091601544,51.31509801323664,67.74718183203089,5.645598486002573,33.87359091601545,-7.105427357601002E-15,4.718447854656915E-16,3.932039878880763E-17,-42.34785790408894,66.34663728752953,5.528886440627461,5.03387169368406,67.74718183203089,33.87359091601544,51.31509801323664,67.74718183203089,5.645598486002573,33.87359091601545,-7.105427357601002E-15,4.718447854656915E-16,3.932039878880763E-17,-42.34785790408894,66.34663728752953,5.528886440627461,5.03387169368406,67.74718183203089,33.87359091601544,51.31509801323664,67.74718183203089,5.645598486002573,33.87359091601545,-7.105427357601002E-15,4.718447854656915E-16,3.932039878880763E-17,-42.34785790408894,66.34663728752953,5.528886440627461,5.03387169368406,67.74718183203089,33.87359091601544,51.31509801323664,67.74718183203089,5.645598486002573,33.87359091601545,-7.105427357601002E-15,4.718447854656915E-16,3.932039878880763E-17,-42.34785790408894,66.34663728752953,5.528886440627461,5.03387169368406,67.74718183203089,33.87359091601544,51.31509801323664,67.74718183203089,5.645598486002573,33.87359091601545,-7.105427357601002E-15,4.718447854656915E-16,3.932039878880763E-17,-42.34785790408894,66.34663728752953,5.528886440627461,5.03387169368406,71.71861017034877,35.678604629285566,54.76997107485496,71.70703609627466,5.975586341356221,35.678604629285566,-0.023148148148187886,0.005187864135759224,4.3232201131326864E-4,-6.313719841252455,62.18193100454085,5.181827583711738,4.956077351067654,0,11.899999999999993,12.100219251962377,-0.15114997542825148,0.049095886598425884,6.956296874999998,9.783134820721406,13.0,35.0,35.0,35.0,13.0,0.0,0.0,0.0,0.0,0.0,24.050553999999995,3.7247317604059784,3.464619147151311,2.9197031153019593,2.7501294719455003,2.7501294719454994,2.453753228845473,1.5043738575904146,1.4567974870365568,2.0524123902611726,1.8803316975313824,1.4329673487730865,1.3728744165178635,1.3728744165178635,1.1538364756241,0.6662064014268081,0.666206401426808,3.7465154056301992,3.492952891980493,2.953612640126662,2.7929956936812443,2.792995693681244,2.501210265035955,1.5927376577616,1.5561429069408659,2.003593814240655,1.820089746956303,1.357647122483636,1.2852290050479296,1.2852290050479274,1.0553054879830444,0.5220817917883059,0.5220817917883056,3.8426376073612234,3.6170284469827867,3.104833070535406,2.981537655322024,2.9815376553220205,2.712447964341131,1.9652236751931476,1.9628467004754977,1.8619200056055734,1.6416922796511404,1.1353000141364336,1.0189282736728755,1.0189282736728738,0.75463209856457,0.037619228519400916,0.03761922851939994,3.7625767404250485,3.5137999143155207,2.9787300656202604,2.824624263979157,2.824624263979154,2.536394912358212,1.657228624461956,1.6278737503491425,1.9726920770227212,1.7816237225151477,1.3095467116617294,1.2285965048401626,1.2285965048401604,0.9914685671979634,0.4253470184701717,0.42534701847017115,3.8897472233366512,3.6771332621599027,3.179245079874234,3.0724805342736494,3.0724805342736468,2.8151192508598535,2.1415484939179597,2.1415484939179588,1.8182152316378641,1.585672972385912,1.0662647969328778,0.9339036709558726,0.9339036709558709,0.6588028499249632,0.12596749220615724,0.13516428868843924,3.7878884002615094,3.574273945968053,3.025548709150711,2.913871993974992,2.9138719939749915,2.6194246896007956,1.8013047106416056,1.8013047106416054,1.925649602189546,1.695641493714391,1.2264122234297956,1.1031915030944333,1.1031915030944333,0.8643092423841049,0.215758786427821,0.21575878642782087,0,0,0,0,0,0,10,2,0,0.0,0.0,0.0,0.20412414523193154,0.11785113019775793,0.0,0.0,0.0,0.20412414523193154,0.11785113019775793,0.3333333333333333,0.0,0.08333333333333333,0.0,0.3333333333333333,0.0,0.08333333333333333,0.0,0.9428090415820635,1.4999999999999996,1.8856180831641258,0.9428090415820635,1.4999999999999996,1.8856180831641258,8.225768350244728,5.966326495188786,4.796180192710584,3.966326495188786,3.2111426259404334,2.558078204724923,1.1785113019775788,0.833333333333333,0.6854806958537273,0.45894819193759895,0.2997612620444115,0.1983163247594393,0.13379760941418473,0.09135993588303296,0.05892556509887894,0.04166666666666665,8.225768350244728,5.966326495188786,4.796180192710584,3.966326495188786,3.2111426259404334,2.558078204724923,1.1785113019775788,0.833333333333333,0.6854806958537273,0.45894819193759895,0.2997612620444115,0.1983163247594393,0.13379760941418473,0.09135993588303296,0.05892556509887894,0.04166666666666665,17.96010584164461,32.76620538965768,30.980392156862756,31.359999999999985,20.78409940119762,260.05350059880243,0.5282384071071944,0.9637119232252258,0.9111880046136105,0.9223529411764702,0.6112970412116947,7.648632370553012,4.147000000000004,53.15000000000004,70.38474912016915,101.4858645680008,140.76949824033832,11.730791520028191,70.38474912016915,5.551115123125783E-17,4.625929269271485E-18,-44.91593730028446,75.88583335113235,6.323819445927696,5.195076021738397,140,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.390648148148149,0.0,0.0,0.0,2.2760185185185184,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5170833333333333,0.0,0.0,0.0,1.138009259259259,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5601851851851851,0.0,0.0,0.0,1.1380092592592592,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.666666666666664,1.472222222222222,0.2,1.5601851851851851,0.2,1.138009259259259,8.385600277777778,0.19532407407407418,0.06018518518518522,0.7812962962962967,0.19532407407407418,0.06018518518518522,0.7812962962962967,6.0,0.5,0.0,0.0,0.44118,0.7,0.44118,0.44118,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.0,0.16667,0.0,6.5,0.54167,6.5,0.54167,0.0,0.0,-6.5,-0.54167,0.0,0.0,14.15801,1.17983,14.15801,0.0,0.0,5.96631,0.49719,5.96631,0.0,0.0,-0.05231,-0.00436,0.11969,0.00997,0.35294117647058826,37.0,0,0,0,0,0,0,1.0,0.9366673818775625,1.1660870601063933,1.7360411676599226,2.4692407821722844,2.6312929881819,2.41896119556797,31.846690983837124,39.64696004361737,59.02539970043737,83.95418659385767,89.4639615981846,82.244680649311,0.18411286944109823,0.22920797586008615,0.3412390855386096,0.48535799851963574,0.5172112446398154,0.4754749609087002,4.150795459372778,3.9213757811439467,3.3514216735904174,2.6182220590780556,2.45616985306844,2.66850164568237,0.1826117566106632,0.22733919268134326,0.3384568880143252,0.4814007677125564,0.5129943072919214,0.4715983086869554,6.773083880905768,9.526120019651739,13.239610159726384,15.75985328709277,14.141867354392003,13.927874058706252,47.12139429299785,42.98197258095608,36.98821660042754,33.97937071003843,37.293532794393954,38.07606224825498,8.591715976331361,4.296875,2.25,0,0,0,2.7800000000000002,1.5822000000000012,0.0,0.0,0.0,0.0,15.69030319227685,9.4902056125271,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.093,0.10400000000000001,0.34900000000000003,0.426,6.018,16.0,20.0,24.0,28.0,20.0,20.0,16.0,12.0,8.0,189.0,2.6390573296152584,2.833213344056216,3.044522437723423,3.2188758248682006,3.367295829986474,3.044522437723423,3.044522437723423,2.833213344056216,2.5649493574615367,2.1972245773362196,5.247024072160486,1.0,0.42857142857142855,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.07692307692307693,1.0,0.07692307692307693,1,4.0,7.0,0.75,1.0,0.8888888888888893,0.375,0.06222222222222218,0.13888888888888887,0.0783673469387755,0.0,0.0,0.0,0.0,0.07692307692307693,0.05555555555555558,0.026785714285714284,0.0062222222222222175,0.01736111111111111,0.019591836734693877,0.0,0.0,0.0,0.0,0.202439516832374,33.87359091601544,51.31509801323664,67.74718183203089,5.645598486002573,33.87359091601545,4.718447854656915E-16,3.932039878880763E-17,-42.34785790408894,66.34663728752953,5.528886440627461,5.03387169368406,0.0,191.3953568096002,4.584962500721156,4.07753744390572,4.875197323201151,5.68697535633982,6.502790045915623,7.323170717943469,8.144098463338524,8.966866554188723,9.789366553431428,10.612778714919378,90.97878117318383,3.295836866004329,0.0,4.51085950651685,0.0,5.958424693029782,0.0,7.497207223203318,0.0,9.076466063419854,9.311361486034912,166.172150704,4.887416197176471,24.594433723682137,2.049536143640178,0.0,0.0,0.0,198.0,14.0,6.366,58.0,1.2304599858768555,2.102086580881952,2.820906569455794,3.622456088804378,4.268190198920061,5.115825814033301,6.055632837857714,7.124673313977266,8.01041630290296,0.0,85.05416800139692,93.57814664450787,75.84401310749601,77.72129583910636,90.19233904344311,79.8571279748581,49.31209082500307,23.517403318014313,8.139095630392793,0.0,305.0979132940738,385.7897093311696,368.60911376111306,403.0111600109215,469.166356701954,492.6487683891642,420.32443065525973,344.2387188378534,248.99373314479283,0.0,8.982453564464207,15.088074183535136,19.881141619267,25.31383716039277,29.806372250413524,35.612080719735474,41.649369836399146,48.45271944525698,53.81769355606663,0.0,2.2595510138879615,3.0710573977679205,3.1896801900255594,3.6236180077289957,4.229578784657315,4.677666092401294,4.4405451017217015,4.149511315978666,3.561534461483471,0.0,174.43458446314722,315.772848681143,450.52024886356173,594.9405330681021,702.5261726183332,849.5631959479592,1043.941229945099,1270.8122338595756,1481.2673744695805,0.0,2.171440641105895,3.3134872353884766,3.9558982427086784,4.839682536627352,5.74831510361995,6.7445247432345745,7.294085824920274,7.858522562338884,8.01041630290296,0.0,0.4665127420557313,0.6428493972530646,0.6783232213491023,0.776403062102978,0.9067323114217517,1.0108030425082168,0.9766855182073433,0.9315218605003889,0.8202666294172631,0.0,400.03299884883546,236.14373935528414,10.685205040711711,79.78522875242884,-47.098070202040596,-4.151006227444225,320.2477700964066,283.24180955732476,14.836211268155935,0.8337178036122224,0.49215249811543826,0.022269277042954,0.1662821963877777,-0.09815815134305352,-0.008651205787233598,191.94312448966681,113.30607047658735,5.126956144190388,38.282407048751836,-22.598512567783036,-1.9917284508140987,0.051035512868997886,0.08941617255985078,0.51257057592165,0.21933740756193887,479.81822760126425,0.0,1.0,0.0,930.6087055174041,30.505879851553278,9.763129208862852,1143.7234993167322,33.81898134652687,10.457800390153752,1696.7170752102875,41.19122570657843,11.927144389078618,1.7357557245167203,1.6123778899039123,998.7287255962258,857.4772579084384,231.3016733628757,1.1647291125041945,4.317862084937788,3.707181385424706,4.695144171083801,4.9226895069776315,8.236631341131257,0.6731974115889906,6.142480049480348,8.543047213911022,13.736761501039876,20.630916089896328,30.008007000041836,17.347452536501823,21.61946430240071,17.31044072028261,11.255844777800462,12.256573523658565,8.605462804061137,6.3908431720642795,4.623728220673043,5.634977598573773,0.9875798671076738,0.0010844516311610014,4.936171609808023E-26,4.8113412500709406E-70,9.067269551352076E-136,3.2959919510511124E-223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5162143352184988,8.472038575522205,1.0126951468781134,6.523673848412395,1.6631121817992982,3.4245193734992516,3.832627521760024,3.205947854665122,2.075782943118431,1.516729525550739,1.7638930559213626,0.5457396331945095,0.15974861361858272,0.16655439545246978,0.006955605770017229,7.637881508763858E-6,3.476586025535746E-28,3.3886669824939223E-72,6.386152083805368E-138,2.3213940808974937E-225,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6639151074849334,8.485222875146713,3.337029055113358,7.75550088809714,5.886818385051954,5.522479046988874,5.7384946423953656,5.17920923443725,3.0889252361338797,3.2175168269706695,2.362809242788066,1.6049786409328775,0.6661035975940922,0.7395207873798907,0.07248277479639839,7.959261415891621E-5,3.6228706847997486E-27,3.53125226335632E-71,6.654862846238927E-137,2.4190716127196012E-224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.79778230379257,8.538236653992104,12.861253468007554,19.18435726688811,27.72013675715642,16.23189522708634,19.92038786104322,16.126543657151917,10.389359392763405,11.425231424434232,7.904464450513744,5.985650912479741,4.207228164582234,5.108018895674478,0.8799158816680384,9.662268793934614E-4,4.3980400357637666E-26,4.2868184326267084E-70,8.078773927282308E-136,2.9366694888554925E-223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.451995431090617,8.494662472589615,5.013646806064706,9.090366138031298,9.250077470877697,7.183573912684959,7.55894311972393,6.802732077785891,4.0399765046496885,4.530973834453352,3.010768614805294,2.3718621544899854,1.1339053278972084,1.2941480169325579,0.1574422724466044,1.7288579364578476E-4,7.869359239377209E-27,7.670351785341388E-71,1.445525136891081E-136,5.254546795208714E-224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.419037894777864,8.56138477828204,17.08799873339881,26.64873823445206,39.10641479945209,21.776709006883078,28.603192075878123,22.057703000030713,14.809774061752229,15.532060176482464,11.521318348990311,7.944860555750041,6.32845422343587,7.804280977759355,1.4402924218143671,0.0015815707855783255,7.198942383733169E-26,7.016889035810184E-70,1.3223760484392957E-135,4.80689449810033E-223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.207220901761116,8.297710985091603,8.84630393863416,13.26986707582422,17.726513972500825,11.486150489383133,13.010332283773561,11.229093889682545,6.87537771641597,7.93978449719826,5.169279302169581,4.228398802900812,2.514881154669948,2.980511129836831,0.4556438262400605,5.003379544267206E-4,2.277422002958775E-26,2.2198285012787257E-70,4.183403822909325E-136,1.5206854996661598E-223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.672597014155709,1.7666791857520434,0.7550493481062885,0.6922591714128942,0.21559787628650073,0.5581127032636994,0.5767184689127349,0.42576019512384344,8.19432554801404,15.638679719191057,31.39985241802367,0.5383887571193412,1.5605913673002778,4.889954761312879,1.1210283667673842,0.2712675143271182,0.7783762603013608,0.17844375058837225,0.41508717118193106,0.23231958726942836,0.054777271428873966,6.282250642407382,7.112362451457549,14.881641385920618,0.6675643904520412,0.7021840298802334,5.192285313299779,1.3705743980750007,0.45825286718408825,0.7395245775087018,0.19520758038554634,0.46782837334234806,0.3472670485260475,0.15656076893000667,7.021112578558868,10.123862597573941,20.406091983131873,0.6092868662630528,0.9716561907984023,5.6523399655373705,1.7499821544261087,0.7425380914916455,0.6939763014701941,0.21485723621933894,0.5541438431924692,0.5658868592832154,0.4117435781682378,8.144860211455125,15.388000210003957,30.877671550524443,0.5409644522052912,1.5317742806439223,5.330589640593097,1.4846754019977901,0.543746426108296,0.7243621868597739,0.20174929857260152,0.49300789881854945,0.40746223397729875,0.22055346812158028,7.359011468699182,11.619971327422409,23.28229821555307,0.5865432802896609,1.1210236009174284,5.736320120802029,1.8191985445359502,0.794403024219838,0.6869908885463816,0.21787013246016307,0.5706902313977719,0.6114517983849022,0.4713807170771385,8.349921689557817,16.437632092049263,33.077550683470605,0.5304863328195725,1.6535227468598124,5.661787410691803,1.7556837778607717,0.7459302596199258,0.6935573910749273,0.2150676760180412,0.5559941120929367,0.569576229025358,0.41551639032944493,8.1634014481725,15.473224520048282,31.051402727084508,0.540336086612391,1.5410867314477397 +UMLCN0221,L,cyclohexane,C1CCCCC1,Naphthenes,,C6H12,Marquardt (2015),IQT,PubChem,,20,0,-1.7280000000000006,2.9859840000000024,17.4696,18.561515999999997,0,0,18,6,12,0,6,0,0,0,0,0.0,0.0,0.0,0.0,0.0,877.7774940000002,1010.8697819999995,1162.2512219999987,747.7480110000001,169.67059200000003,12.192768000000001,0.0,0.0,0.0,2914.106343667144,3917.9408069422034,5481.2826699740035,4770.239364482759,2122.8492627885494,373.00493317116315,0.0,0.0,0.0,125.86466399999996,130.65467999999998,256.37704800000023,354.687852,246.6547200000002,80.62156799999998,0.0,0.0,0.0,22.068754858187983,30.09593172000001,46.126140869094044,45.76247315637608,24.033241436375977,5.335354858188001,0.0,0.0,0.0,2979.7779608309884,2598.236709094801,5545.213193795095,8493.347861961578,6275.494221136777,2219.011824290988,0.0,0.0,0.0,25.5,31.5,55.5,66.75,42.0,12.0,0.0,0.0,0.0,48.76541633333334,56.15943233333331,32.28475616666663,14.661725705882356,4.713072,1.016064,0.0,0.0,0.0,161.89479687039687,217.66337816345575,152.25785194372233,93.53410518593645,58.9680350774597,31.083744430930263,0.0,0.0,0.0,6.992481333333331,7.258593333333333,7.121584666666673,6.954663764705883,6.851520000000005,6.718463999999998,0.0,0.0,0.0,1.2260419365659991,1.6719962066666672,1.281281690808168,0.8973033952230605,0.6675900398993327,0.4446129048490001,0.0,0.0,0.0,165.54322004616603,144.34648383860005,154.03369982764153,166.53623258748192,174.31928392046603,184.917652024249,0.0,0.0,0.0,1.4166666666666667,1.75,1.5416666666666667,1.3088235294117647,1.1666666666666667,1.0,0.0,0.0,0.0,0.025088129039240695,2.168404344971009E-18,-0.01254406451962034,-0.008362709679746897,-3.2526065174565133E-18,0.008362709679746895,0.0,0.0,0.0,484.2640359999999,5.044853423896711E-13,-242.13201799999956,-161.4213453333337,-6.146194664324867E-13,161.421345333333,0.0,0.0,0.0,900.509653756891,2.984279490192421E-13,-450.25482687844493,-300.1698845856302,-4.334310688136611E-13,300.16988458563,0.0,0.0,0.0,0.0948639999999999,1.3548190347378863E-15,-0.047431999999998586,-0.03162133333333372,-1.3470127790959907E-15,0.031621333333332384,0.0,0.0,0.0,4.025697139396,2.942091015256665E-15,-2.012848569697997,-1.3418990464653353,-3.9968028886505635E-15,1.3418990464653309,0.0,0.0,0.0,21.867650753795992,6.439293542825908E-14,-10.933825376897921,-7.289216917932004,-6.838973831690964E-14,7.289216917931946,0.0,0.0,0.0,0.9999999999999999,-3.469446951953614E-16,-0.5000000000000006,-0.3333333333333335,1.8041124150158794E-16,0.33333333333333354,0.0,0.0,0.0,0.0013937849466244831,1.2046690805394494E-19,-3.4844623665612057E-4,-1.6397469960288035E-4,-9.035018104045871E-20,6.968924733122412E-4,0.0,0.0,0.0,26.90355755555555,2.8026963466092842E-14,-6.725889388888877,-3.165124418300661,-1.7072762956457962E-14,13.451778777777749,0.0,0.0,0.0,50.028314097605055,1.6579330501069005E-14,-12.507078524401248,-5.885684011482945,-1.2039751911490586E-14,25.0141570488025,0.0,0.0,0.0,0.005270222222222217,7.526772415210479E-17,-0.0013175555555555163,-6.200261437908573E-4,-3.7417021641555295E-17,0.002635111111111032,0.0,0.0,0.0,0.22364984107755553,1.634495008475925E-16,-0.055912460269388814,-0.026311746009124223,-1.1102230246251565E-16,0.11182492053877757,0.0,0.0,0.0,1.2148694863219995,3.577385301569949E-15,-0.30371737158049783,-0.14292582192023537,-1.89971495324749E-15,0.6074347431609955,0.0,0.0,0.0,0.05555555555555555,-1.927470528863119E-17,-0.013888888888888904,-0.0065359477124183035,5.011423375044109E-18,0.027777777777777794,0.0,0.0,0.0,8.643148883599E-17,-0.24999999999999983,-0.1176470588235294,-6.482361662699251E-17,0.4999999999999998,0.0,0.0,0.0,1.0417567791254919E-15,-0.2499999999999996,-0.1176470588235297,-6.345912774250355E-16,0.499999999999999,0.0,0.0,0.0,3.3139894478000584E-16,-0.24999999999999967,-0.11764705882352935,-2.4065875751881377E-16,0.49999999999999944,0.0,0.0,0.0,1.4281698375968625E-14,-0.2499999999999928,-0.11764705882353098,-7.099704730435107E-15,0.4999999999999855,0.0,0.0,0.0,7.308277084396084E-16,-0.2499999999999997,-0.1176470588235296,-4.964112736570925E-16,0.4999999999999991,0.0,0.0,0.0,2.9446663545731427E-15,-0.2499999999999983,-0.11764705882352952,-1.5637193744974619E-15,0.4999999999999965,0.0,0.0,0.0,-3.469446951953614E-16,-0.2500000000000003,-0.11764705882352947,9.020562075079397E-17,0.5000000000000003,0.0,0.0,0.0,1.4166666666666667,1.4166666666666667,1.0000000000000002,0.7083333333333334,0.0,0.0,0.0,0.0,1.4166666666666674,1.4166666666666679,1.0000000000000009,0.7083333333333337,0.0,0.0,0.0,0.0,1.416666666666666,1.4166666666666654,0.9999999999999991,0.708333333333333,0.0,0.0,0.0,0.0,1.416666666666666,1.4166666666666659,0.9999999999999994,0.708333333333333,0.0,0.0,0.0,0.0,1.4166666666666672,1.4166666666666672,1.0000000000000002,0.7083333333333336,0.0,0.0,0.0,0.0,1.4166666666666656,1.4166666666666663,0.9999999999999996,0.7083333333333328,0.0,0.0,0.0,0.0,1.416666666666667,1.416666666666667,1.0000000000000002,0.7083333333333335,0.0,0.0,0.0,0.0,18.0,9.0,13.000000000000002,18.0,3.0,9.00042006176254,0.0,7.216449660063518E-16,1.2027416100105862E-16,-20.91899903566531,22.42419282679312,3.7373654711321866,1.8660842477706872,18.0,9.0,13.000000000000002,18.0,3.0,9.00042006176254,0.0,7.216449660063518E-16,1.2027416100105862E-16,-20.91899903566531,22.42419282679312,3.7373654711321866,1.8660842477706872,18.0,9.0,13.000000000000002,18.0,3.0,9.00042006176254,0.0,7.216449660063518E-16,1.2027416100105862E-16,-20.91899903566531,22.42419282679312,3.7373654711321866,1.8660842477706872,18.0,9.0,13.000000000000002,18.0,3.0,9.00042006176254,0.0,7.216449660063518E-16,1.2027416100105862E-16,-20.91899903566531,22.42419282679312,3.7373654711321866,1.8660842477706872,18.0,9.0,13.000000000000002,18.0,3.0,9.00042006176254,0.0,7.216449660063518E-16,1.2027416100105862E-16,-20.91899903566531,22.42419282679312,3.7373654711321866,1.8660842477706872,18.0,9.0,13.000000000000002,18.0,3.0,9.00042006176254,0.0,7.216449660063518E-16,1.2027416100105862E-16,-20.91899903566531,22.42419282679312,3.7373654711321866,1.8660842477706872,18.0,9.0,13.000000000000002,18.0,3.0,9.00042006176254,0.0,7.216449660063518E-16,1.2027416100105862E-16,-20.91899903566531,22.42419282679312,3.7373654711321866,1.8660842477706872,0,11.900000000000006,12.10008240422211,-0.15279744210895982,0.047284962113145056,6.453750000000004,6.653832404222109,6.0,18.0,18.0,18.0,6.0,0.0,0.0,0.0,0.0,0.0,13.118483999999997,3.573186821795354,2.7501294719455016,2.750129471945499,1.4567974870365552,1.456797487036554,1.0564655153467768,0.08392307051869173,0.08392307051869129,1.9725424448280868,1.3728744165178632,1.3728744165178628,0.6662064014268076,0.6662064014268073,0.4892637512766616,0.08392307051869069,0.083923070518691,3.600648476655937,2.792995693681247,2.7929956936812466,1.556142906940867,1.556142906940864,1.1858780345576858,0.2709139018929376,0.2709139018929374,1.914964132664751,1.2852290050479283,1.2852290050479276,0.5220817917883064,0.522081791788306,0.32973457476299967,0.27091390189293696,0.27091390189293707,3.7203492897030626,2.981537655322024,2.9815376553220236,1.9628467004754984,1.962846700475498,1.6879734069660663,0.9439184268026226,0.9439184268026226,1.7440549801634417,1.0189282736728773,1.0189282736728773,0.03761922851940099,0.03761922851940096,0.2235691370995581,0.9439184268026214,0.9439184268026218,3.620820475529454,2.8246242639791546,2.82462426397915,1.627873750349142,1.6278737503491416,1.2774517303340305,0.3992772455089827,0.3992772455089823,1.8781744848250501,1.2285965048401617,1.2285965048401601,0.4253470184701718,0.42534701847017164,0.22154323002047113,0.3992772455089816,0.3992772455089818,3.778078744950821,3.0724805342736494,3.072480534273645,2.1415484939179597,2.141548493917958,1.8978190436093842,1.2076448229620889,1.207644822962088,1.6901742206472976,0.9339036709558743,0.9339036709558717,0.1351642886884396,0.1351642886884404,0.4295660780112708,1.2076448229620864,1.2076448229620875,3.666666666666667,2.896805253274478,2.8968052532744775,1.786299647846891,1.7862996478468898,1.4748096336326857,0.6666666666666673,0.6666666666666669,1.8081429669660156,1.1196329811802246,1.1196329811802244,0.23013858660780984,0.23013858660780948,1.4611641253302759E-16,0.6666666666666657,0.6666666666666666,0,0,0,0,0,0,6,0,0,0.0,0.0,0.0,0.125,0.0,0.0,0.0,0.0,0.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.242640687119285,3.0,2.1213203435596424,1.5,1.0606601717798212,0.75,0.0,0.0,0.7071067811865475,0.5,0.35355339059327373,0.25,0.17677669529663687,0.125,0.0,0.0,4.242640687119285,3.0,2.1213203435596424,1.5,1.0606601717798212,0.75,0.0,0.0,0.7071067811865475,0.5,0.35355339059327373,0.25,0.17677669529663687,0.125,0.0,0.0,9.250966822715249,17.32702112163146,16.352941176470594,16.560000000000006,10.79132694610778,138.16953053892217,0.5139426012619582,0.9626122845350812,0.9084967320261441,0.9200000000000004,0.5995181636726544,7.676085029940121,2.3406000000000002,27.701999999999984,20.999999999999993,26.999999999999993,41.999999999999986,6.999999999999998,21.000000000972356,1.1102230246251565E-16,1.850371707708594E-17,-22.042080341806265,4000004.0,666667.3333333334,9.1210835514502,36,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,1.5,0.2,1.5,0.2,1.5,4.338,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.5,0.0,0.0,0.43333,0.7,0.43333,0.43333,0.7,-0.0,0.0,0.0,0.0,0.71429,0.0,0.0,0.0,0.0,0.0,3.0,0.5,3.0,0.5,0.0,0.0,-3.0,-0.5,0.0,0.0,5.0,0.83333,5.0,0.0,0.0,3.0,0.5,3.0,0.0,0.0,-0.086,-0.01433,-0.0,-0.0,0.3333333333333333,6.0,0,0,0,0,0,0,1.0,0.9182958340544896,0.9182958340544896,0.9182958340544896,0.9182958340544896,0.9182958340544896,0.9182958340544896,16.529325012980813,16.529325012980813,16.529325012980813,16.529325012980813,16.529325012980813,16.529325012980813,0.22021878900384667,0.22021878900384667,0.22021878900384667,0.22021878900384667,0.22021878900384667,0.22021878900384667,3.2516291673878226,3.2516291673878226,3.2516291673878226,3.2516291673878226,3.2516291673878226,3.2516291673878226,0.22021878900384667,0.22021878900384667,0.22021878900384667,0.22021878900384667,0.22021878900384667,0.22021878900384667,6.732876570223358,6.732876570223358,6.732876570223358,6.732876570223358,6.732876570223358,6.732876570223358,23.69925001442313,23.69925001442313,23.69925001442313,23.69925001442313,23.69925001442313,23.69925001442313,4.166666666666667,2.2222222222222223,1.3333333333333333,0,0,0,2.12,0.8454000000000006,0.0,0.0,0.0,0.0,9.125465128398087,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.071,0.064,0.277,0.248,3.1239999999999997,6.0,6.0,6.0,6.0,0.0,0.0,0.0,0.0,0.0,36.0,1.9459101490553132,1.9459101490553132,1.9459101490553132,1.9459101490553132,1.9459101490553132,0.0,0.0,0.0,0.0,0.0,3.6109179126442243,1.0,0.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0,3.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,13.000000000000002,18.0,3.0,9.00042006176254,7.216449660063518E-16,1.2027416100105862E-16,-20.91899903566531,22.42419282679312,3.7373654711321866,1.8660842477706872,0.0,99.97590775520011,3.584962500721156,3.2188758248682006,3.8918202981106265,4.574710978503383,5.262690188904886,5.953243334287785,6.645090969505644,7.337587743538596,8.030409562130485,8.723394022000136,65.63782292184975,2.5649493574615367,0.0,3.6109179126442243,0.0,4.890349128221754,0.0,6.248042874508429,0.0,7.627057417018934,7.9211727215870145,84.093900384,4.671883354666666,11.8125,1.96875,0.0,0.0,0.0,27.0,3.0,3.4139999999999997,24.0,1.215665947106901,2.074379100950835,2.7691658562048835,3.596574680702986,4.089693114694166,0.0,0.0,0.0,0.0,0.0,77.31646080300956,74.52439015285321,41.96284432098917,16.396837313718347,4.155389944888612,0.0,0.0,0.0,0.0,0.0,285.7401037298015,335.9609384834546,270.44091589223683,207.9038665659747,127.12297557808859,0.0,0.0,0.0,0.0,0.0,8.85296859681474,14.81260568217155,19.31492079158102,24.62206198293328,27.47645596212062,0.0,0.0,0.0,0.0,0.0,2.1472568379064363,2.776238206255143,2.577511614141888,2.3676193977573425,1.8183303356651275,0.0,0.0,0.0,0.0,0.0,173.67509916815135,316.7529271725705,456.6693334519489,628.5407218946789,756.2564482689827,0.0,0.0,0.0,0.0,0.0,2.1787483809905277,3.25957838334643,3.69450516589088,4.171025121768867,4.089693114694166,0.0,0.0,0.0,0.0,0.0,0.44451709524763205,0.5849411948738485,0.556932658055247,0.5263780086853164,0.4187845749446826,0.0,0.0,0.0,0.0,0.0,290.97130088252686,92.17524248228372,7.681270206856974,76.20008248606032,-24.139016662534413,-4.0231694437557355,214.77121839646654,116.31425914481814,11.70443965061271,0.7924672620535724,0.2510414663491165,0.0209201221957597,0.20753273794642765,-0.0657431863046427,-0.01095719771744045,106.83633506559478,33.84411129455508,2.8203426078795886,27.97848969920722,-8.863156141140136,-1.4771926901900225,0.0833333333333333,0.16666666666666666,1.810320950015467,0.47172977189059223,367.17138336858716,0.0,1.0,0.0,434.5588977726214,20.846076316003003,7.574422893640565,550.8033307540729,23.469199618948938,8.19719977136889,642.681640873891,25.35116645982766,8.629758280134249,1.1690905964458636,1.1541778493965824,182.61244728613067,110.20377141112587,101.50870772338065,1.6570435380553103,1.7989830762476475,1.0856583034377698,3.0792338516444153,3.6514738270365092,4.684853364785277,0.283003408129984,3.3474265951693276,3.674795795285174,4.905934578712823,8.466492148444052,13.263238394562064,3.2091751977369007,6.437626672080605,0.5063426295334394,9.366205166758132E-5,2.524926590633764E-29,1.319011195881898E-75,1.333920653691159E-143,2.611295529543078E-233,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.28149424370846515,3.674127837520244,0.3888531036318021,2.220720186001587,0.746388656590378,0.2435844908394232,0.04657597891699009,0.003566212541053536,6.596694881991439E-7,1.7783264429176436E-31,9.28990370192284E-78,9.394912232349538E-146,1.839156792789566E-235,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9073163999999374,3.6741733183393626,1.2703287720353782,2.643423608542933,2.6315292786119264,0.8032808178887608,0.47565896590527146,0.03716268424209956,6.87426467488388E-6,1.853153263209624E-30,9.680795912743875E-77,9.790222897648746E-145,1.9165431778207946E-234,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1597324135420073,3.6747227588573184,4.615054378108218,7.782653238609751,12.260007372164592,3.0114765385015416,5.73666000614754,0.451142166953263,8.345120178709059E-5,2.249664134631593E-29,1.1752152286566965E-75,1.1884992871416915E-143,2.3266173042529334E-233,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3369236909039364,3.674231518779933,1.8874763857095311,3.1866296395893854,4.124501232744135,1.2010474367297261,1.030155174005368,0.08072231609801128,1.4931821458654113E-5,4.025296518312452E-30,2.102798233459084E-76,2.1265672368163186E-144,4.162987883428433E-234,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.042373667674791,3.6751027140056154,5.999223781534744,11.34074458094377,17.246799836090883,3.959498418287386,9.38464444700776,0.7384531382977886,1.365972998502337E-4,3.6823681358669827E-29,1.9236538664469294E-75,1.945397909447441E-143,3.8083291161774923E-233,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.231824381427728,3.674423281768018,3.2045160795618037,4.9796283728423045,7.754366673735098,2.065050347593955,2.864737903719968,0.22504116868152868,4.162757851892503E-5,1.1221895958372285E-29,5.862271981697324E-76,5.928536238627372E-144,1.1605757909080348E-233,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7207083562233794,1.5405402706559221,0.6229504553688842,0.4430021015368317,0.3966172273961439,0.5928584726197113,0.5405623047612572,0.42452757068175484,3.8841990822481858,4.682416834001881,10.217945764301945,0.2594289933994635,1.5579483480627234,1.1373617052918292,1.034426014947907,0.17294237061214957,0.4850714842315192,0.44117061447020534,0.2588209913084821,0.24372390344938277,0.03248382656936224,2.344730090851886,1.5521106531639985,4.100310302878271,0.3893631480525869,0.535028721327227,1.3690176779105185,1.2354382168481206,0.35170131010686545,0.4631071972956202,0.4179203375296575,0.3751044783253067,0.347649493622764,0.1347738702729256,2.9561572048655047,2.6073273091334874,6.158329867911869,0.32154130223791666,0.8575278422209962,1.7062634896228377,1.528010311265033,0.6118123666374524,0.44363631372322954,0.39728967181413843,0.5829353722335581,0.5318047535552666,0.409422213931092,3.846086167525323,4.585956914353471,10.027153068386728,0.26138897830605196,1.5241623397199167,1.4722898861558913,1.3250376041707168,0.43136794523683375,0.45600147661464424,0.4103941144697917,0.4338905760283902,0.3999042306614177,0.2030051597855558,3.2286954355634414,3.1575168750534774,7.227741921429315,0.2995933866266538,1.0367999664753638,1.7659321899582165,1.579768227505612,0.6578200250852386,0.44109483523302206,0.3945947698220727,0.62446834895945,0.5684423159710825,0.4735977846716041,4.003520442549068,4.990632298169144,10.829315079439795,0.2535344075826423,1.6665084496021367,1.7100823891095498,1.5313229628767382,0.6147570499509223,0.4434674193831827,0.39711059941548404,0.5855506566355425,0.5341131069219,0.4133889931046709,3.85616240193721,4.611365222736788,10.077384799166762,0.26086702819800006,1.5330527566621135 +UMLCN0222,L,n-butyldecalin,CCCCC1CCCC2C1CCCC2,Naphthenes,,C14H26,NREL (2014),Unknown,UML,,31,0,-1.0290000000000008,1.0588410000000017,51.124100000000006,41.97661799999997,0,0,40,14,26,0,14,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2046.115357999997,2478.7461030000013,3383.795707000004,3562.610875000004,3028.988103000003,2335.9410589999975,1596.4121109999942,983.9598760000005,405.7967770000007,6737.4139796947975,9335.905551873431,14417.213862106348,16819.816824773272,15687.545277904048,13001.530229356187,9660.467887387449,6472.767108642865,3567.1086901480285,280.24728800000014,298.1661720000001,600.7267000000012,907.847596000002,946.0676760000024,878.3216120000028,722.0380120000013,532.5849759999998,351.04790799999995,50.604535526074045,70.78565205999999,116.67337188303681,144.70812946305412,140.00545272699694,119.9374741512416,92.08273359699677,63.68028420850714,37.729241940319014,6582.979937890475,5883.101581885402,12775.394723096031,20715.147812450996,21961.76159539943,20847.946954031693,17425.58814928279,13052.31289278971,8768.569975386821,57.833333333333336,72.30555555555557,129.9444444444444,179.99999999999994,184.5833333333333,168.16666666666666,137.33333333333331,101.25,65.5,51.152883949999925,60.457222024390276,40.28328222619052,27.617138565891505,22.43694891111113,18.539214753968235,15.350116451923022,12.778699688311693,7.956799549019622,168.43534949236994,227.7050134603276,171.6334983584089,130.38617693622692,116.20403909558554,103.18674785203324,92.8891143018024,84.0619105018554,69.94330764996134,7.006182200000003,7.2723456585365875,7.151508333333347,7.037578263565907,7.007908711111129,6.970806444444467,6.942673192307705,6.916687999999997,6.883292313725489,1.265113388151851,1.7264793185365852,1.3889687128932953,1.1217684454500318,1.0370774276073846,0.9518847154860445,0.8854108999711229,0.8270166780325603,0.739789057653314,164.57449844726187,143.4902824850098,152.0880324178099,160.58254118179067,162.67971552147725,165.45989646056898,167.55373220464222,169.51055704921703,171.93274461542788,1.4458333333333333,1.7635501355013554,1.5469576719576714,1.395348837209302,1.3672839506172836,1.3346560846560847,1.3205128205128203,1.3149350649350648,1.2843137254901962,0.05313511552485731,-8.617860850559044E-4,-0.018104244276379453,-0.00419510354480601,-0.008632509476615452,-0.0033151431268267904,-8.57312554865822E-4,0.0017017844062580732,-0.002602804497933802,1101.7006819000012,51.150388802498384,-267.555879890002,-108.65674307750044,-292.07174671249885,-147.09520093499845,-67.79696503999855,16.041246192500843,-12.409265922499374,2048.659462296929,95.1163321780715,-497.53158370068263,-202.0518535617016,-543.1198849221221,-273.5298073286533,-126.07135152596345,29.829382280696933,-23.075559877520718,0.21581559999999966,0.01002001000000332,-0.05241235999999619,-0.021285109999998622,-0.05721484999999962,-0.028814940000001118,-0.013280960000001844,0.003142369999997948,-0.0024308900000018594,9.15846099212591,0.42521426034873094,-2.2241976695162573,-0.9032657956519614,-2.427998587198195,-1.2228055060915337,-0.5635975995154494,0.1333512177424777,-0.10315848919703757,49.74890546488584,2.3097706108690357,-12.081877041473046,-4.906554137883272,-13.18892686088327,-6.642298916465319,-3.0614711055310835,0.724365931219873,-0.5603585505656704,2.608333333333335,-0.33881944444444534,-0.8330555555555559,-0.07854166666666551,-0.33229166666666354,0.004583333333335944,0.09333333333333528,0.1706250000000004,-0.3881249999999987,0.0013283778881214327,-2.1019172806241572E-5,-2.1552671757594586E-4,-3.2520182517876044E-5,-6.394451464159594E-5,-2.631065973672056E-5,-8.243389950632903E-6,2.210109618516978E-5,-5.103538231242749E-5,27.54251704750003,1.2475704585975216,-3.185189046309548,-0.842300333934112,-2.163494420092584,-1.1674222296428447,-0.6518938946153707,0.2083278726298811,-0.24331893965685047,51.21648655742323,2.319910540928573,-5.922995044055746,-1.5662934384628031,-4.023110258682386,-2.1708714867353436,-1.2122245339034947,0.38739457507398617,-0.45246195838275916,0.005395389999999991,2.44390487804959E-4,-6.239566666666213E-4,-1.6500085271316763E-4,-4.2381370370370093E-4,-2.2869000000000887E-4,-1.277015384615562E-4,4.080999999997335E-5,-4.766450980395803E-5,0.22896152480314774,0.010371079520700755,-0.02647854368471735,-0.007002060431410553,-0.01798517471998663,-0.009704805603901061,-0.005419207687648552,0.0017318339966555546,-0.002022715474451717,1.2437226366221459,0.05633586855778136,-0.14383186954134577,-0.03803530339444397,-0.09769575452506127,-0.05271665806718507,-0.02943722216856811,0.009407349756102247,-0.010987422560111185,0.06520833333333338,-0.008263888888888911,-0.009917328042328047,-6.088501291989575E-4,-0.0024614197530863965,3.6375661375682095E-5,8.974358974359162E-4,0.002215909090909096,-0.007610294117647034,-0.0158231878098833,-0.16224804666143589,-0.02448112303635638,-0.04813729226705594,-0.019806607722090742,-0.006205606118821017,0.01663765738861006,-0.03841932538082276,0.04529616724738528,-0.11564625850340211,-0.03058182127949579,-0.07855107855107815,-0.0423861852433276,-0.023668639053253906,0.007563864706722239,-0.008834302951949556,0.04529616724738666,-0.11564625850340132,-0.03058182127949554,-0.07855107855107805,-0.04238618524332769,-0.02366863905325417,0.007563864706721822,-0.00883430295195015,0.04529616724740184,-0.11564625850339313,-0.03058182127949377,-0.07855107855107817,-0.042386185243329814,-0.02366863905325776,0.007563864706716923,-0.008834302951956783,0.045296167247389746,-0.11564625850339953,-0.03058182127949512,-0.0785510785510779,-0.04238618524332801,-0.02366863905325481,0.007563864706721003,-0.008834302951951293,0.045296167247373745,-0.11564625850340873,-0.030581821279497573,-0.078551078551079,-0.042386185243326775,-0.02366863905325171,0.007563864706725833,-0.008834302951944472,-0.1267305644302452,-0.15208681981844918,-0.00933699878643768,-0.037747012187906374,5.578376185408113E-4,0.013762595232244072,0.03398199244844618,-0.11670738582973078,1.4247265599237307,1.3077499790645597,0.9923795301788986,1.0101061742957225,0.967902041830263,0.9392432691974698,0.8974269278960069,0.9034394848716085,1.358885017421602,1.3265306122448974,1.0631229235880395,1.0634920634920633,0.9693877551020406,0.9065934065934064,0.8348794063079775,0.798319327731092,1.3588850174216,1.326530612244895,1.0631229235880375,1.0634920634920613,0.9693877551020387,0.9065934065934047,0.834879406307976,0.798319327731091,1.358885017421603,1.326530612244899,1.0631229235880415,1.0634920634920653,0.969387755102042,0.9065934065934066,0.8348794063079777,0.7983193277310926,1.3588850174216016,1.326530612244895,1.0631229235880373,1.063492063492061,0.9693877551020386,0.9065934065934049,0.834879406307977,0.7983193277310917,1.3588850174216034,1.3265306122448977,1.0631229235880393,1.0634920634920628,0.9693877551020404,0.9065934065934063,0.8348794063079779,0.7983193277310929,1.5904309202836422,1.1668948729651591,0.8515986824182071,0.886048988285409,0.8586895887215367,0.970447284345047,1.1246421310319064,1.3925953768088695,89.94503961179464,44.97251980589729,65.30772183443676,89.94503961179461,6.424645686556758,44.97251980589729,-4.973799150320701E-14,0.24748443437403223,0.017677459598145158,-1.954970626516869,134.96322368394218,9.640230263138728,6.867003253838213,89.94503961179464,44.97251980589729,65.30772183443676,89.94503961179461,6.424645686556758,44.97251980589729,-4.973799150320701E-14,0.24748443437403223,0.017677459598145158,-1.954970626516869,134.96322368394218,9.640230263138728,6.867003253838213,89.94503961179464,44.97251980589729,65.30772183443676,89.94503961179461,6.424645686556758,44.97251980589729,-4.973799150320701E-14,0.24748443437403223,0.017677459598145158,-1.954970626516869,134.96322368394218,9.640230263138728,6.867003253838213,89.94503961179464,44.97251980589729,65.30772183443676,89.94503961179461,6.424645686556758,44.97251980589729,-4.973799150320701E-14,0.24748443437403223,0.017677459598145158,-1.954970626516869,134.96322368394218,9.640230263138728,6.867003253838213,89.94503961179464,44.97251980589729,65.30772183443676,89.94503961179461,6.424645686556758,44.97251980589729,-4.973799150320701E-14,0.24748443437403223,0.017677459598145158,-1.954970626516869,134.96322368394218,9.640230263138728,6.867003253838213,89.94503961179464,44.97251980589729,65.30772183443676,89.94503961179461,6.424645686556758,44.97251980589729,-4.973799150320701E-14,0.24748443437403223,0.017677459598145158,-1.954970626516869,134.96322368394218,9.640230263138728,6.867003253838213,98.90292930328899,48.83565634291394,71.46749564556491,98.84935787471753,7.060668419622681,48.83565634291394,-0.12500000000005684,0.16608672209994652,0.011863337292853323,-2.5133432866524847,102.80278036063054,7.343055740045038,6.485937358550938,0,11.900000000000002,12.100268850778194,-0.15114284130980554,0.04915493977561976,5.300050053976104,10.416918604443824,15.0,41.0,41.0,41.0,15.0,0.0,0.0,0.0,0.0,0.0,28.423381999999993,3.778473259096295,3.388352675368757,3.217485081810209,2.9710147264645554,2.66105752514537,2.629797431112022,2.3281033745004915,1.8316984143125425,2.0809286727849408,1.8321773049932977,1.7067763440723396,1.5040321926047595,1.3265023782705352,1.2305171902518084,1.108151505931191,0.8607813812129422,3.7983879515615455,3.418252686963769,3.251107082009418,3.0064306963402077,2.70604964250278,2.6709749606288713,2.3842070703729865,1.9115520195551934,2.035397294045266,1.7674574312941127,1.6368703600971906,1.4262701915508407,1.233918181150225,1.1437810718517998,1.0033362180356966,0.7320396721873069,3.886526222772902,3.5499990644698918,3.3982687412870733,3.164064313017021,2.9086770894206184,2.849718212555341,2.6273867890360196,2.247285004490201,1.904268412125211,1.5763163837324214,1.4274448910946613,1.1957560383624797,0.9490156327789765,0.8853712473136399,0.674770631551381,0.3106034434655091,3.813083700815308,3.4403009152778536,3.275852311269466,3.032649095058408,2.739697036522831,2.701051909909713,2.425441084562045,1.9697123529354907,2.0066716662257624,1.72616040264902,1.5919995879199365,1.3765224958222022,1.1737671113906976,1.0881609986578562,0.934760576769004,0.6464380140721745,3.9299141957421186,3.6141912996112673,3.469293201401519,3.241424581072842,3.00668874258196,2.9366925082738216,2.742102592655351,2.399415004411062,1.8640863119074913,1.5165959936133062,1.3611255454017868,1.1239116768638029,0.8572525142291689,0.804482750297918,0.5665916338084274,0.1650353555551169,3.807395063052629,3.519209835081251,3.3496010066218465,3.106854335885987,2.846391305212067,2.739963744108086,2.535883502403938,2.1220274108687662,1.9917076253728783,1.6366271898787776,1.4926736399796134,1.2750054328211484,1.0343467371187167,1.0048328987185327,0.7836331026684435,0.45656795972963765,0,0,0,0,0,1,10,3,0,0.0,0.0,0.0,0.15137471507731048,0.25137565482875424,0.0,0.0,0.0,0.15137471507731048,0.25137565482875424,0.4694160968212876,0.0,0.13608276348795434,0.0,0.4694160968212876,0.0,0.13608276348795434,0.0,1.3806820952411107,2.4288690166235205,3.3728429314399624,1.3806820952411107,2.4288690166235205,3.3728429314399624,9.803118619434356,6.91501490017253,5.541603156639756,4.651668418299142,3.8963919954970523,3.2250784049906756,1.957663321411844,1.3150355080776424,0.7002227585310254,0.4610009933448353,0.29166332403367135,0.18606673673196567,0.12176224985928288,0.082694318076684,0.05757833298270129,0.03984956085083765,9.803118619434356,6.91501490017253,5.541603156639756,4.651668418299142,3.8963919954970523,3.2250784049906756,1.957663321411844,1.3150355080776424,0.7002227585310254,0.4610009933448353,0.29166332403367135,0.18606673673196567,0.12176224985928288,0.082694318076684,0.05757833298270129,0.03984956085083765,21.04376144921634,38.541879096868186,36.4313725490196,36.879999999999995,24.38120838323356,306.11001077844315,0.5260940362304085,0.9635469774217047,0.91078431372549,0.9219999999999999,0.609530209580839,7.6527502694610785,4.783100000000005,62.31400000000006,106.53931418531053,145.48072452808955,213.07862837062106,15.219902026472933,106.53931418531053,0.1455103184725491,0.01039359417661065,-2.6985115885671975,75.92302871858958,5.423073479899256,6.0616080658833695,181,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,10.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.8000000000000003,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3345035745779796,0.0,15.265120386117408,0.0,0.0,0.0,3.40037603930461,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3345035745779796,0.0,1.3967129629629629,0.0,0.0,0.0,1.1194444444444442,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3345035745779796,0.0,1.5684996220710508,0.0,0.0,0.0,1.1426388888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.0,1.5,0.2,2.3345035745779796,0.2,1.1194444444444442,9.811453387030737,0.21388888888888896,0.3345035745779794,1.4457294028722607,0.21388888888888896,0.3345035745779794,1.4457294028722607,7.0,0.5,0.0,0.0,0.44,0.7,0.44,0.44,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.07143,0.21429,0.0,7.5,0.53571,7.5,0.53571,0.0,0.0,-7.5,-0.53571,0.0,0.0,18.20261,1.30019,18.20261,0.0,0.0,6.915,0.49393,6.915,0.0,0.0,-0.001,-7.0E-5,0.171,0.01221,0.25,43.0,0,0,0,0,0,0,1.0,0.9340680553754911,1.3172880668197253,2.3829786604745875,3.3225738836114345,3.7128148954723548,3.9373261452560078,37.362722215019645,52.69152267278901,95.31914641898351,132.90295534445738,148.5125958188942,157.49304581024032,0.1755130920075425,0.2475208314229592,0.4477660385460399,0.6243176954614146,0.6976446936664099,0.7398307671684806,4.387860039511872,4.004640028067637,2.938949434412775,1.9993542112759282,1.6091131994150079,1.3846019496313549,0.1743460547971063,0.24587499396818807,0.4447887129085291,0.6201664268956146,0.6930058527237805,0.7349114188461681,6.768335828953244,11.366975966284054,16.938049492624398,19.97615956691394,20.711616587956946,21.280047006231083,55.03160484820687,46.34634633336945,35.8922864447362,29.498590887316173,27.386231109587634,25.2449423969492,10.515555555555556,5.185595567867036,2.5344,4,0,4,3.0,1.8640000000000014,0.0,2.253301022366838,0.6082201995573401,0.0,14.752754450523605,13.310616537480769,0.0,2.381101577952299,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.11099999999999999,0.124,0.31,0.41100000000000003,6.787999999999999,19.0,25.0,32.0,39.0,34.0,33.0,30.0,27.0,13.0,281.0,2.772588722239781,2.995732273553991,3.258096538021482,3.4965075614664802,3.6888794541139363,3.5553480614894135,3.5263605246161616,3.4339872044851463,3.332204510175204,2.6390573296152584,5.641907070938114,1.0,0.5,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,3.0,0.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.2,4.0,0.26666666666666666,1,4.0,8.0,1.0,1.5,1.333333333333334,0.6875,0.4755555555555556,0.18055555555555552,0.12081632653061222,0.07118055555555555,0.02040816326530612,0.0,0.0,0.1,0.07017543859649127,0.03618421052631579,0.031703703703703706,0.016414141414141412,0.01725947521865889,0.017795138888888888,0.02040816326530612,0.0,0.0,0.3099402716135061,44.97251980589729,65.30772183443676,89.94503961179461,6.424645686556758,44.97251980589729,0.24748443437403223,0.017677459598145158,-1.954970626516869,134.96322368394218,9.640230263138728,6.867003253838213,0.0,225.98732606133353,4.807354922057604,4.23410650459726,5.056245805348308,5.8998973535824915,6.748759547491679,7.605392364814935,8.462314529906248,9.323222529032856,10.182973629388371,11.045494523523427,97.55840678768557,3.4339872044851463,0.0,4.672828834461906,0.0,6.150602768446279,0.0,7.747164966520335,0.0,9.404343433543975,9.62066034281053,194.203450832,4.855086270799999,28.55841846141948,2.0398870329585344,0.0,0.0,0.0,303.0,19.0,7.443,68.0,1.2646045087230418,2.1872240662192257,2.9171708721743,3.633908274613622,4.573856664917937,5.238615538868022,5.758210868708039,6.398087907927873,6.732806398239526,7.2579886110442855,89.15997930371272,97.35311556518866,90.58491356588735,94.54489908961197,91.00400443277233,85.34767518996479,78.27461605298689,51.689712904128285,20.92794007270907,7.374580940092101,317.64275180695654,400.28072995874095,407.45594857124314,464.16742623409294,493.4091339210249,501.2282481758955,502.59163684796886,451.5382697625325,315.53036958580975,225.60546306830307,9.23729694164946,15.69219349738094,20.585085022729547,25.580119362157323,31.947062171693062,36.405241522957525,39.890520820570266,44.0563240813539,45.741110338151685,48.762535195711045,2.3443812959089083,3.1851942592488727,3.433131446947466,4.038747270634443,4.496010826466343,4.729145266550519,4.8909998510492585,4.763355327255432,3.8431185695326864,3.2269953997173584,178.92728046969472,329.12811569858786,464.56292331950533,582.6822576986266,751.9958097373549,875.1837523233881,971.2575633110546,1098.7531966531021,1204.6310195919857,1342.1302123730495,2.2896290871478104,3.452834067852047,4.150737036359939,5.13135413209889,6.201299482147398,6.980707465518719,7.675710005595384,8.239423448716835,7.631381455041954,7.2579886110442855,0.48371796298597897,0.6667454279075844,0.7270563935104428,0.8597986654664121,0.9652349744259818,1.0215878100933375,1.0619351577169232,1.047004469124414,0.8642084637016152,0.7432180337709348,434.21156342448387,299.3811856855502,11.325961396732485,53.557053435311914,-36.92664016783286,-2.9482550041751754,380.65450998917197,336.30782585338306,14.27421640090766,0.890199878417544,0.6137770560413162,0.023219946928213338,0.10980012158245586,-0.07570523992618215,-0.0060443720696008235,211.79477371609002,146.0287468556865,5.524448525091645,26.123449877228268,-18.01165619994321,-1.4380662655364969,0.04405406655428151,0.09451411915986835,0.11694794241129515,0.8857577942516024,487.7686168597958,0.0,1.0,0.0,928.7736787961102,30.475788403191643,9.756707823427076,1180.636616922589,34.360393142724504,10.569118069649052,1872.3746364254932,43.27094448270679,12.325302391522033,2.027841867123425,2.027841867123425,1406.955402992838,993.5960594136795,557.9488381061111,1.416023533570656,2.52165665900224,1.7808013773920912,5.4576480039300135,5.250218374782677,8.889862190088017,0.693236653314634,7.252157287754519,11.642240061365486,8.293555556603241,47.92969416409587,17.133480330285348,17.29848868631615,30.008567871958757,28.62419924038871,24.56064388080415,17.109579396180607,13.955868583528066,12.459806706080569,6.596786734300668,6.178565804314332,4.989396305924908,0.5100138746897883,0.33397371094328565,6.802067976054191E-17,3.001161543784423E-54,2.5541993729123975E-113,4.192722812625911E-194,1.327435457047438E-296,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6085662288532563,11.619102498305116,0.6034565765730795,18.66356733378272,3.4075084745675563,2.0862449024119814,3.3094975827474538,1.8101231154162556,5.299384585873906,0.9169110843305344,0.9445195133993318,1.7169364038078974,1.2700715212071572,0.18157035943377806,0.19256566944650405,0.0035920859246756725,0.002352204153629291,4.790752092837779E-19,2.1137426143703303E-56,1.7989435028262242E-115,2.95296895885009E-196,9.349236462123859E-299,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.964563524033215,11.623760104911192,2.0090233525268277,21.795766728707093,4.618317051786917,4.586355697775947,7.549097594541303,5.856112465274367,7.890690971672225,2.8431725067472327,2.425973950069225,2.9975945777573476,2.188274686056377,0.8081516914851481,0.7706485852869882,0.03743217526701567,0.02451178083975228,4.992333049664839E-18,2.202682774586075E-55,1.8746378292180395E-114,3.0772213302252514E-195,9.742625223453193E-298,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.845405575478216,11.640800508344332,7.764703658207777,45.13276438840897,15.730359024811076,16.153165575122053,27.945923759674667,26.4777167866422,22.907319999365807,15.63042870944017,12.743845396606915,11.479433036974482,6.210869553840779,5.600046556310258,4.553858688702495,0.45441319165600014,0.297564563740581,6.060520105344641E-17,2.6739809039726294E-54,2.2757456566280767E-113,3.735640542186494E-194,1.1827210936886494E-296,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.895443227973637,11.626976783853017,3.022639336018278,24.789665462107056,5.92188662629113,6.482250046891638,10.818798202847963,9.057362693021474,10.067512480820668,4.574946426967423,3.791661317203627,4.147574562717667,2.868799576824824,1.4157001355785355,1.286565168017693,0.08130764600324043,0.05324286341055416,1.0844014492501745E-17,4.784521323471985E-55,4.0719638665928334E-114,6.6841359279582486E-195,2.1162283859493756E-297,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.75821647761861,11.647596292931702,10.317589709664695,59.42688440801988,22.96765492579114,21.782131504764767,38.131738424864615,37.14498353206919,31.220534963008916,23.140122401049545,18.91518865572603,16.45609397941261,8.093584891044353,8.56057679809927,6.763089108242339,0.7438072504980935,0.48706927003613143,9.920176874027897E-17,4.3769120577272684E-54,3.725059737718249E-113,6.114692183530364E-194,1.9359398596315553E-296,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.958562256595366,11.11096704000751,5.146235563425401,32.02526394498444,9.555000989392637,10.509573575706503,18.13352508092607,16.677274281041132,16.57025578398504,9.26642451140607,7.593649972492445,7.675400097367484,4.817480579952475,3.2739277024197198,2.9290637626977336,0.22667292860420946,0.14843276041923806,3.023141322690751E-17,1.3338495750152993E-54,1.1351997212943987E-113,1.8634323611670715E-194,5.8997131424330575E-297,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.738431912734288,3.113750935212514,0.8867386982391497,0.5892266289979127,0.31972235533943183,0.46272743570554775,0.44891419559897133,0.43521436908010663,9.738921546185953,25.717620830093004,51.30083176482554,0.38383994349686906,1.3468560003846257,4.762166476665214,2.5016956033111795,0.373201755265482,0.623559862717108,0.32757295961923144,0.3217584448723072,0.29124026320666324,0.07698304822266364,7.637063835241875,14.624377015162821,26.70757657939864,0.43533979407566187,0.6899817563016342,5.140178109146476,2.7398449425909077,0.5725489232548214,0.6081200046984772,0.3241433436706624,0.37323047878469373,0.34872379843391177,0.1813530313676358,8.452571974992205,18.59498970985688,35.11093478070016,0.4121800070477157,0.9033073085862413,5.713263605590291,3.0980845145937668,0.8735489128436926,0.5899147493366976,0.31988822431757186,0.45876340919223807,0.4444735862477428,0.42236288886942186,9.684897033027749,25.397317075345526,50.54418143017432,0.38487212400504633,1.3255998843094026,5.312751047962147,2.8480468640842043,0.6633315139064021,0.6020708436502247,0.32275669662185363,0.3980346702270256,0.376471951845232,0.24348259753029874,8.824129425952753,20.544278395490572,39.40525305309308,0.40310626547533696,1.0179892196025564,5.817566271169311,3.1629765639803944,0.9281954996986167,0.5871147339423979,0.31921082756383146,0.47530515581976335,0.4630048794670725,0.4768574312143194,9.908738334848323,26.736525219547957,53.72482722959294,0.38067210091359677,1.4151674665011553,5.736699627280636,3.1020473545447795,0.8774746815799558,0.5904249435649473,0.31926477822425103,0.4623544823046601,0.4455082447186775,0.42618548203652323,9.716221663405372,25.55129059606697,50.88262515472894,0.38563741534742113,1.3340482090598609 +UMLCN0223,L,"1,3,5-trimethylcyclohexane",CC1CC(C)CC(C)C1,Naphthenes,,C9H18,Marquardt (2015),IQT,PubChem,,30.5,0,0.5873999999999984,0.34503875999999806,40.2021,27.84227399999997,0,0,27,9,18,0,9,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1316.666240999998,1516.3046729999994,2106.5748599999984,1900.8546569999967,1316.9378939999947,423.91944000000046,45.72288,0.0,0.0,4371.159515500713,5876.911210413301,8897.306245278683,9971.76833457841,7912.680716700519,4532.318206569441,1398.7684993918604,0.0,0.0,188.79699600000006,195.9820200000001,384.6367200000001,550.5987240000004,622.7666160000003,396.1249919999999,302.3308800000001,0.0,0.0,33.10313228728198,45.143897580000015,72.20848415818796,87.88709788182886,76.15562037729896,47.41767194637608,20.007580718205,0.0,0.0,4469.666941246483,3897.355063642201,8334.22052875799,12374.302187538431,15244.610464302403,9491.067723107679,8321.294341091205,0.0,0.0,42.083333333333336,51.0,85.08333333333336,119.99999999999999,120.50000000000001,85.5,45.0,0.0,0.0,48.76541633333326,56.159432333333314,39.01064555555553,24.369931499999957,14.632643266666607,7.437183157894745,1.016064,0.0,0.0,161.89479687039676,217.6633781634556,164.76493046812377,127.84318377664628,87.91867463000577,79.51435450121826,31.08374443093023,0.0,0.0,6.992481333333336,7.258593333333336,7.122902222222224,7.058958000000005,6.919629066666671,6.949561263157893,6.718464000000002,0.0,0.0,1.2260419365659994,1.6719962066666672,1.3371941510775547,1.1267576651516522,0.8461735597477662,0.8318889815153698,0.44461290484899996,0.0,0.0,165.54322004616603,144.34648383860005,154.33741719922205,158.6448998402363,169.38456071447115,166.5099600545207,184.917652024249,0.0,0.0,1.558641975308642,1.8888888888888888,1.5756172839506177,1.5384615384615383,1.338888888888889,1.5,1.0,0.0,0.0,0.03578635445979053,-0.004171120198550629,2.8429418595346523E-4,-0.024975500091948964,0.014078597519637118,-0.028802001856792134,0.025692553211805927,0.0,0.0,726.3960540000007,6.892264536872972E-13,6.359357485052897E-13,-524.6193723333313,121.06600899999935,-564.974708666665,605.330044999999,0.0,0.0,1350.7644806353373,-6.394884621840902E-13,-7.887024366937112E-13,-975.552124903297,225.1274134392227,-1050.5945960497033,1125.6370671961145,0.0,0.0,0.14229599999999987,2.0348306373207947E-15,2.0322285521068295E-15,-0.1027693333333316,0.023715999999998304,-0.11067466666666706,0.11857999999999645,0.0,0.0,6.038545709094,1.659783421814609E-14,1.6653345369377348E-14,-4.361171901012319,1.0064242848489862,-4.69664666262867,5.032121424244971,0.0,0.0,32.80147613069398,-1.9984014443252818E-13,-1.971756091734278E-13,-23.689954983279087,5.466912688449185,-25.51225921276187,27.33456344224532,0.0,0.0,2.9629629629629615,-1.3611111111111118,0.8240740740740744,-2.3096707818930065,2.938271604938268,-3.440329218106995,1.8672839506172827,0.0,0.0,0.0013254205355477974,-1.544859332796529E-4,5.264707147286393E-6,-3.201987191275508E-4,1.564288613293013E-4,-5.052982781893357E-4,5.709456269290206E-4,0.0,0.0,26.903557555555583,2.5526905692122118E-14,1.1776587935283142E-14,-6.725889388888863,1.3451778777777705,-9.911836994152019,13.451778777777756,0.0,0.0,50.02831409760509,-2.3684757858670007E-14,-1.460560067951317E-14,-12.507078524401244,2.501415704880252,-18.431484141222867,25.014157048802545,0.0,0.0,0.005270222222222217,7.536409767854795E-17,3.7633862076052396E-17,-0.0013175555555555334,2.635111111110923E-4,-0.0019416608187134573,0.002635111111111032,0.0,0.0,0.22364984107755553,6.147346006720774E-16,3.0839528461809903E-16,-0.0559124602693887,0.011182492053877623,-0.08239730987067842,0.11182492053877713,0.0,0.0,1.214869486321999,-7.401486830834377E-15,-3.651400169878292E-15,-0.3037173715805011,0.06074347431610206,-0.4475834949607345,0.6074347431610071,0.0,0.0,0.1097393689986282,-0.05041152263374488,0.015260631001371748,-0.02961116387042316,0.032647462277091865,-0.060356652949245526,0.041495198902606285,0.0,0.0,-0.11655616397689489,0.0039721031975036404,-0.24158273584859796,0.11802205951535912,-0.38123619231574335,0.43076564125592665,0.0,0.0,9.488301180767378E-16,4.3773348230859817E-16,-0.24999999999999878,0.04999999999999968,-0.36842105263157754,0.49999999999999867,0.0,0.0,-4.734270639714365E-16,-2.919466894490525E-16,-0.24999999999999944,0.049999999999999954,-0.36842105263157776,0.5,0.0,0.0,1.429998480154605E-14,7.140849187984312E-15,-0.24999999999999606,0.04999999999999648,-0.36842105263158065,0.4999999999999855,0.0,0.0,2.748647607842049E-15,1.3789202046030344E-15,-0.2499999999999992,0.049999999999999316,-0.36842105263157926,0.49999999999999717,0.0,0.0,-6.0924131473927115E-15,-3.0055904860470708E-15,-0.2500000000000011,0.05000000000000173,-0.3684210526315773,0.5000000000000062,0.0,0.0,-0.4593750000000005,0.13906250000000014,-0.26983173076923117,0.29749999999999976,-0.5500000000000002,0.378125,0.0,0.0,1.561874519893432,1.0794241566613494,1.3343580949471017,0.7179606817831233,1.434277693713313,0.0020058265589113534,0.0,0.0,1.4444444444444438,1.2037037037037033,1.333333333333333,0.7944444444444443,1.2543859649122804,0.0,0.0,0.0,1.4444444444444426,1.2037037037037017,1.333333333333331,0.7944444444444433,1.2543859649122786,0.0,0.0,0.0,1.4444444444444438,1.203703703703703,1.3333333333333333,0.794444444444444,1.2543859649122802,0.0,0.0,0.0,1.4444444444444449,1.2037037037037042,1.3333333333333321,0.7944444444444445,1.2543859649122808,0.0,0.0,0.0,1.4444444444444442,1.2037037037037033,1.3333333333333324,0.7944444444444441,1.2543859649122802,0.0,0.0,0.0,2.0041666666666678,0.6770833333333336,1.2890625000000007,0.49562500000000004,2.020559210526317,0.0,0.0,0.0,38.260443762395035,19.13022188119752,25.958649005943712,38.26044376239504,4.251160418043893,19.13022190168129,7.105427357601002E-15,2.1510571102112408E-16,2.3900634557902677E-17,-32.46786187868856,73.08369245302374,8.120410272558194,3.862444730769467,38.260443762395035,19.13022188119752,25.958649005943712,38.26044376239504,4.251160418043893,19.13022190168129,7.105427357601002E-15,2.1510571102112408E-16,2.3900634557902677E-17,-32.46786187868856,73.08369245302374,8.120410272558194,3.862444730769467,38.260443762395035,19.13022188119752,25.958649005943712,38.26044376239504,4.251160418043893,19.13022190168129,7.105427357601002E-15,2.1510571102112408E-16,2.3900634557902677E-17,-32.46786187868856,73.08369245302374,8.120410272558194,3.862444730769467,38.260443762395035,19.13022188119752,25.958649005943712,38.26044376239504,4.251160418043893,19.13022190168129,7.105427357601002E-15,2.1510571102112408E-16,2.3900634557902677E-17,-32.46786187868856,73.08369245302374,8.120410272558194,3.862444730769467,38.260443762395035,19.13022188119752,25.958649005943712,38.26044376239504,4.251160418043893,19.13022190168129,7.105427357601002E-15,2.1510571102112408E-16,2.3900634557902677E-17,-32.46786187868856,73.08369245302374,8.120410272558194,3.862444730769467,38.260443762395035,19.13022188119752,25.958649005943712,38.26044376239504,4.251160418043893,19.13022190168129,7.105427357601002E-15,2.1510571102112408E-16,2.3900634557902677E-17,-32.46786187868856,73.08369245302374,8.120410272558194,3.862444730769467,46.00039267574398,22.868251893427544,31.412540056930183,45.795145762163735,5.088349529129303,22.868251893874604,-0.26388888888889284,6.106226635438361E-16,6.78469626159818E-17,-31.528847229694808,35.22287077163395,3.9136523079593277,3.205526048501691,0,11.900000000000002,12.100148700936508,-0.1453207572547366,0.05487062559539424,6.1537500000000005,8.460481535360909,9.0,27.0,27.0,27.0,9.0,0.0,0.0,0.0,0.0,0.0,19.677725999999996,3.6894703749993822,3.0423645406791224,3.042364540679121,2.273238045995743,2.1754874596287532,2.175487459628752,1.0995080605767766,1.0995080605767753,2.0248111576872927,1.585950347437072,1.5859503474370709,1.181314749113755,1.0666054041307578,1.0666054041307578,0.41303509776074376,0.41303509776074354,3.711706200414175,3.078435564479958,3.0784355644799573,2.3439391453663814,2.243749090545637,2.2437490905456365,1.2096883888320258,1.209688388832025,1.974747389238725,1.506815678815417,1.506815678815417,1.0667124701463848,0.9527940970927684,0.9527940970927684,0.25952156227061723,0.25952156227061707,3.809929061963172,3.2392849070231353,3.2392849070231318,2.6391280846307104,2.5311873074247173,2.531187307424715,1.6565796332181013,1.6565796332181009,1.8296525251781892,1.2716485663625186,1.2716485663625146,0.6947312260783888,0.5857048348045967,0.5857048348045955,0.26205683390902534,0.2620568339090259,3.7281067412203273,3.105160528901111,3.105160528901108,2.3952468839068164,2.2934407230415617,2.29344072304156,1.28902067559668,1.2890206755966798,1.9430740219458498,1.4561262204625414,1.4561262204625391,0.9907931012110052,0.8775716573046533,0.8775716573046528,0.1560923132452118,0.15609231324521125,3.8581271836653723,3.3182822666747778,3.3182822666747764,2.7728013531458435,2.6624209379982036,2.662420937998202,1.850629028360847,1.8506290283608466,1.7849572172106178,1.1982852801438402,1.1982852801438377,0.5669299421077056,0.4605609392741894,0.46056093927418545,0.4504484552704627,0.4504484552704632,3.7047864624076983,3.185821028690382,3.185821028690376,2.578933481197071,2.399668944489602,2.3996689444896,1.390915632907361,1.3909156329073609,1.952763291561304,1.364912791354644,1.3649127913546424,0.7944656691562629,0.7367863129919913,0.7367863129919906,0.01263753622346227,0.0126375362234618,0,0,0,0,0,3,3,3,0,0.0,0.0,0.0,0.06804138174397717,0.2041241452319315,0.0,0.0,0.0,0.06804138174397717,0.2041241452319315,0.8660254037844388,0.0,0.0,0.0,0.8660254037844388,0.0,0.0,0.0,0.9999999999999999,1.99578191578136,1.7474002407106248,0.9999999999999999,1.99578191578136,1.7474002407106248,6.8533711511285205,4.1815405503520555,4.022621927754164,2.414213562373095,2.349335306374634,0.9855985596534889,0.6969234250586758,0.0,0.7614856834587245,0.46461561670578394,0.3352184939795137,0.20118446353109123,0.15662235375830894,0.0821332133044574,0.07743593611763064,0.0,6.8533711511285205,4.1815405503520555,4.022621927754164,2.414213562373095,2.349335306374634,0.9855985596534889,0.6969234250586758,0.0,0.7614856834587245,0.46461561670578394,0.3352184939795137,0.20118446353109123,0.15662235375830894,0.0821332133044574,0.07743593611763064,0.0,13.876450234072873,25.99053168244719,24.52941176470589,24.839999999999996,16.18699041916167,207.25429580838326,0.5139426012619582,0.9626122845350812,0.9084967320261441,0.9199999999999998,0.5995181636726544,7.676085029940121,3.0786000000000016,41.343,36.232406093403526,46.59629276550831,72.46481218680705,8.051645798534118,36.232406093403526,2.7755575615628914E-17,3.0839528461809902E-18,-34.3107854377173,35.99156593928386,3.999062882142651,3.224956168389647,63,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,3.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7999999999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.1433333333333335,0.0,4.3879166666666665,0.0,0.0,0.0,2.9687499999999996,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.381111111111111,0.0,1.4626388888888888,0.0,0.0,0.0,0.9895833333333331,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.381111111111111,0.0,1.4626388888888888,0.0,0.0,0.0,0.9895833333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.5,1.6111111111111112,0.2,2.381111111111111,0.2,0.9895833333333331,6.462614583333334,0.3437500000000001,0.3811111111111112,2.286666666666667,0.3437500000000001,0.3811111111111112,2.286666666666667,4.5,0.5,0.0,0.0,0.43333,0.7,0.43333,0.43333,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.33333,0.33333,0.0,4.5,0.5,4.5,0.5,0.0,0.0,-4.5,-0.5,0.0,0.0,10.39611,1.15512,10.39611,0.0,0.0,4.18152,0.46461,4.18152,0.0,0.0,0.23248,0.02583,0.31848,0.03539,0.2222222222222222,9.0,0,0,0,0,0,0,1.0,0.9182958340544896,1.4466166676282084,2.419381945646372,2.4193819456463714,2.1971597234241496,1.657742726504889,24.79398751947122,39.058650025961626,65.32331253245204,65.32331253245204,59.323312532452036,44.759053615632,0.193126721428565,0.3042378325396761,0.5088200182539662,0.508820018253966,0.4620844809523767,0.3486397366395351,3.8365916681089796,3.3082708345352607,2.3355055565170972,2.3355055565170977,2.5577277787393196,3.09714477565858,0.193126721428565,0.3042378325396761,0.5088200182539662,0.508820018253966,0.4620844809523767,0.3486397366395351,6.732876570223358,13.072726573107982,14.053103770555126,14.05310377055513,11.386437103888461,10.842799151706963,35.548875021634686,26.03910001730775,27.7243125132212,27.7243125132212,32.40401251899045,31.82253256952848,7.111111111111111,2.7222222222222223,2.0,0,0,0,2.45,1.2681000000000002,0.75,3.5716523669284492,4.326748710922225,0.0,1.5000000000000004,6.240251469155711,0.0,1.5000000000000004,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.125,0.124,0.16000000000000003,0.203,3.937,12.0,12.0,15.0,12.0,9.0,0.0,0.0,0.0,0.0,78.0,2.302585092994046,2.5649493574615367,2.5649493574615367,2.772588722239781,2.5649493574615367,2.302585092994046,0.0,0.0,0.0,0.0,4.3694478524670215,1.0,0.25,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.3333333333333333,0,3.0,4.0,0.3333333333333333,3.0,0.666666666666667,0.9375,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.3333333333333333,0.05555555555555558,0.10416666666666667,0.05555555555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.5486111111111112,19.13022188119752,25.958649005943712,38.26044376239504,4.251160418043893,19.13022190168129,2.1510571102112408E-16,2.3900634557902677E-17,-32.46786187868856,73.08369245302374,8.120410272558194,3.862444730769467,0.0,151.8638616328001,4.169925001442312,3.7612001156935624,4.51085950651685,5.351858133476067,6.111467339502679,6.957497370876951,7.719129840906732,8.566173813637858,9.328212292571072,10.17545936253226,80.48185777571403,2.9444389791664403,0.0,4.204692619390966,0.0,5.645446897643238,0.0,7.181591944611865,0.0,8.760766624241956,8.995660899074103,126.14085057599999,4.671883354666666,17.3817161805601,1.9313017978400113,0.0,0.0,0.0,84.0,9.0,4.938000000000001,42.0,1.2269995202934896,2.1016320984577637,2.8415883847456342,3.5035421014068904,4.588307670460814,5.348672470510574,0.0,0.0,0.0,0.0,78.9514887765619,91.11853208324612,77.07154849878634,61.108023134041744,35.98987201610379,5.434593545076858,0.0,0.0,0.0,0.0,290.54006353153466,371.149473264368,385.47759276975495,341.3238808482675,378.90882685345326,166.25676811810308,0.0,0.0,0.0,0.0,8.938429586765382,15.021217379887004,20.10839593219898,24.339591720068064,31.953875285938654,35.93486344091636,0.0,0.0,0.0,0.0,2.178865040166512,2.9584223729207966,3.3368453418997333,3.1836352543945945,3.9294935789049052,2.3780888041995842,0.0,0.0,0.0,0.0,175.1121322825437,320.7290344690088,447.2347566911235,586.2066109442834,758.6501955788611,989.0639546935547,0.0,0.0,0.0,0.0,2.3607027442906827,3.4069862778831115,4.453028105679513,4.907141187546672,7.055726606178395,5.348672470510574,0.0,0.0,0.0,0.0,0.450892230165088,0.6198013684876608,0.7090507064761817,0.6867319972135199,0.8585095435506165,0.5477040609802828,0.0,0.0,0.0,0.0,367.402977652019,168.51936006449802,9.185806885071997,88.05622408624387,-40.389380150219125,-4.810885956007739,279.3467535657751,208.90874021471714,13.996692841079735,0.806664957585275,0.36999880433053683,0.020168232083168612,0.19333504241472507,-0.08867837118247432,-0.010562715469677554,167.3370669176494,76.75369321241915,4.18376027119673,40.10601753040623,-18.39571484192204,-2.1911622771771038,0.06463567252826663,0.1358327530034241,0.9565853498052728,1.1277438231765449,455.45920173826283,0.0,1.0,0.0,620.8036052110712,24.91593075145039,8.530701455586831,795.1702546832485,28.19876335379352,9.264458536326794,1095.4299776844143,33.09728051795818,10.308485726082166,1.1598388440688332,1.035728624435079,516.372253558389,305.7649605743839,264.44426416381907,1.6887881874639143,1.9526695169251413,1.156254840849818,4.15725006131478,4.3559220276254225,6.3762686805484545,0.46381607386677653,5.0208315148928895,6.989125066247232,11.03149926401231,13.939617371623394,19.484072652688333,9.022004787825537,10.863714573890851,13.840265112926268,10.100703538301667,6.616510750851406,3.9334385103561575,0.3963707740013686,1.32791102785966E-17,1.4447295579901006E-55,3.1492320352805035E-115,1.3274001762981093E-196,1.0793298268342161E-299,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4219313998570357,6.522854967488867,0.7146632673838539,5.964077263765635,1.0133971841796134,1.8243288554321795,1.980796572334287,1.5014817972497627,1.1100642107988137,0.2593219373038322,0.02773074956358479,0.002791671770661027,9.35258594623952E-20,1.0175348405648649E-57,2.2180298722336165E-117,9.348987976921594E-199,7.601808222104519E-302,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3606647403970218,6.554012913797741,2.404483684368393,7.082441975954715,3.6615321989950806,2.9442004498134677,2.8635028219943823,3.135899692092322,2.2041750949635173,1.032136642833485,0.2887620669757035,0.0290913722405367,9.746115644148295E-19,1.0603497562171663E-56,2.3113581378694637E-116,9.742366282714124E-198,7.921670269927566E-301,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.739290068120435,6.937932995731648,10.252719674626245,13.271076303227513,17.95634096718712,8.457787722694768,9.990733330680687,12.772096212545003,9.288136925875087,6.0416631929555695,3.504641639839508,0.35315922355715856,1.1831448187203797E-17,1.2872280259192347E-55,2.8059090461022557E-115,1.1826896591761759E-196,9.616634439489176E-300,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0050758143209766,6.594410053807111,3.688030961089544,8.001478955950981,5.812575602013274,3.8166797612537855,3.745733749830263,4.520410899727534,3.175287022201123,1.7184805416512043,0.6271628123490414,0.06319034788841298,2.1169865519656667E-18,2.3032213614657766E-56,5.0205787344458143E-116,2.1161721405607122E-197,1.720692637236649E-300,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.06325285669145,7.204380625721115,14.082093062462706,16.619623224264792,25.5913052583159,11.251363002302062,14.46972509369204,18.15037175029613,13.406941898725423,8.955721195869867,5.736461610843344,0.5780695223322169,1.936633434966288E-17,2.1070022823723342E-55,4.592858953676616E-115,1.9358884059743994E-196,1.574101115322936E-299,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.331366714596154,5.935104617622461,5.95412167747628,10.215670091067835,9.871323279052573,5.540888424383632,6.086505800788452,7.9313570353815575,6.156989727713614,3.6150223636829515,1.5155158078821755,0.1527040794012407,5.1158522357494624E-18,5.565902221032017E-56,1.2132594285741775E-115,5.113884151255498E-197,4.158179118838121E-300,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.022497409958837,2.6199948561931508,0.664087011425478,0.47926098712579146,0.4154383447629575,0.4773387619745744,0.4673613633571965,0.4413083619234522,6.306579277577466,11.66603349296952,23.231469778585865,0.3420489978331235,1.3860084872552232,2.2104583586368904,1.8831052463377247,0.21361368172275763,0.5132034767790602,0.4372017033414566,0.25426558099773905,0.2416402227105526,0.046164196390956834,4.307177286697373,5.036966924985116,10.233316658552225,0.42560777018077517,0.5420700000992484,2.5328402435242836,2.1756414648288733,0.3927931508637488,0.4965112277665232,0.426489754987022,0.33441627489070536,0.32237884669204514,0.15548171673543876,5.101274859216906,7.360011623607055,14.625793667085496,0.38450147413031777,0.8122768383181893,3.00238136666393,2.6017392861302846,0.652959064869403,0.4798374804444738,0.41580727807984025,0.470963327583955,0.4608733540399871,0.42677216734109363,6.257079717663618,11.470674934458902,22.828287941386144,0.3434671377864712,1.3586088489650356,2.676599970867334,2.306096692927811,0.47254016808492105,0.4906478038176912,0.4227308115114498,0.37372576090301024,0.3621465136100958,0.22458120196089043,5.455236831880066,8.527022660133767,16.899012895624825,0.37006792299371155,0.9604534764739965,3.0854787174971,2.677151585644264,0.6989188807306899,0.4775137710316307,0.414320391203769,0.4975790502970417,0.487969683622075,0.4883491450671063,6.461549183872054,12.287905362555309,24.52273015186652,0.3377512433530996,1.473897878986223,3.0163741678246296,2.613257378148269,0.6543493701201992,0.4800100777040523,0.4158601709715239,0.4753192597764861,0.4649149820574801,0.42827829871902107,6.283980916093098,11.566307905439729,23.008238333441085,0.34380537301336433,1.3685125405529872 +UMLCN0224,L,sec-butyldecalin,CCC(C)C1CCCC2C1CCCC2,Naphthenes,,C14H26,Creton (2011),Unknown,UML,,34,0,-0.8632,0.7451142399999999,52.296,41.97661799999997,0,0,40,14,26,0,14,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2046.115357999997,2478.7461030000013,3504.861716000004,3871.289037000005,3413.356985000005,2597.297484000001,1413.8851489999934,490.71775300000127,88.985232,6737.4139796947975,9335.905551873431,14642.341275545572,17771.988883289196,17421.38826793587,14706.34663388764,10011.080714731319,4886.801638342941,1444.027925918639,280.24728800000014,298.1661720000001,600.7504160000012,910.2900360000018,1011.3713000000018,1003.668528000003,824.3642120000021,547.8792039999998,223.70515200000014,50.604535526074045,70.78565205999999,117.6797961678858,150.7345664636582,154.04699430214828,136.30517618003378,99.41480422063772,53.96767320669512,18.016882885772002,6582.979937890475,5883.101581885402,12780.86163578448,20535.3110119598,23255.413037258357,23832.18545573175,20061.238687024204,13972.206362533298,5943.306995243473,59.111111111111114,73.58333333333334,130.22222222222217,185.27777777777771,204.91666666666657,197.24999999999997,158.91666666666663,98.0,36.5,51.152883949999925,60.457222024390276,41.724544238095284,30.00999253488376,23.703867951388922,18.03678808333334,11.881387806722634,6.133971912500016,2.6965221818181817,168.43534949236994,227.7050134603276,174.31358661363777,137.76735568441237,120.98186297177686,102.12740717977528,84.12672869522116,61.08502047928677,43.75842199753452,7.006182200000003,7.2723456585365875,7.151790666666681,7.056511906976758,7.023411805555568,6.969920333333354,6.927430352941194,6.848490049999998,6.7789440000000045,1.265113388151851,1.7264793185365852,1.400949954379593,1.1684850113461878,1.0697707937649186,0.9465637234724569,0.8354185228625018,0.674595915083689,0.545966148053697,164.57449844726187,143.4902824850098,152.15311471172,159.1884574570527,161.4959238698497,165.50128788702602,168.58183770608576,174.65257953166622,180.10021197707493,1.4777777777777779,1.7947154471544717,1.5502645502645496,1.436261843238587,1.4230324074074068,1.3697916666666665,1.3354341736694675,1.225,1.106060606060606,0.05254567446280558,-0.0025344647018268767,-0.012985224090957103,-0.002383170082999271,-0.01244144082286797,-0.004884364332082181,-0.011226377865126955,0.006170026063986704,0.010380205547613224,1101.7006819000012,51.150388802498384,-146.48987089000195,-120.76334397750082,-424.94169158999887,-225.18277673999773,-256.96260410249727,205.81221530000164,277.543825632501,2048.659462296929,95.1163321780715,-272.40417026145974,-224.56459490562418,-790.1972211716694,-418.73698899695205,-477.83293502474794,382.7166028466782,516.1045953094178,0.21581559999999966,0.01002001000000332,-0.028696359999996198,-0.023656709999997905,-0.08324315999999882,-0.04411176000000122,-0.05033721000000249,0.04031719999999618,0.054368929999997706,9.15846099212591,0.42521426034873094,-1.2177733846672583,-1.0039082241368544,-3.5325492398199625,-1.8719491698191328,-2.1361355445920083,1.7109212842432704,2.3072276730163135,49.74890546488584,2.3097706108690357,-6.614964353024054,-5.453245406728318,-19.188863536456175,-10.168457600514877,-11.603522181232478,9.293751570364016,12.53289733826976,3.099999999999998,-0.7497222222222218,-0.6544444444444438,0.4608333333333354,-0.707222222222227,0.10666666666666583,-0.6558333333333392,-0.019444444444445014,0.4675000000000006,0.0013136418615701394,-6.181621223967992E-5,-1.5458600108282265E-4,-1.847418668991683E-5,-8.639889460324979E-5,-3.39191967505707E-5,-9.433930979098282E-5,7.71253257998338E-5,3.145516832610068E-4,27.54251704750003,1.2475704585975216,-1.7439270344047852,-0.9361499533139599,-2.950983969374992,-1.563769282916651,-2.1593496143067,2.5726526912500205,8.410418958560637,51.21648655742323,2.319910540928573,-3.2429067888269016,-1.740810813221893,-5.4874807025810375,-2.907895756923278,-4.015402815334016,4.783957535583477,15.63953319119448,0.005395389999999991,2.44390487804959E-4,-3.4162333333328805E-4,-1.8338534883719307E-4,-5.780774999999918E-4,-3.0633166666667517E-4,-4.230017647059033E-4,5.039649999999523E-4,0.0016475433333332638,0.22896152480314774,0.010371079520700755,-0.01449730219841974,-0.007782234295634531,-0.024531591943194184,-0.012999647012632867,-0.017950718862117715,0.02138651605304088,0.06991599009140344,1.2437226366221459,0.05633586855778136,-0.07874957563123874,-0.04227322020719626,-0.13325599678094566,-0.07061428889246442,-0.09750858975825612,0.1161718946295502,0.3797847678263564,0.07749999999999994,-0.018285907859078583,-0.007791005291005283,0.0035723514211886465,-0.004911265432098798,7.40740740740735E-4,-0.005511204481792766,-2.4305555555556268E-4,0.014166666666666685,-0.04705712724912228,-0.11767743218692245,-0.014063335853072947,-0.06577050955119604,-0.02582073375008661,-0.07181509097024596,0.05871107495588579,0.2394501061994452,0.04529616724738528,-0.06331763474620695,-0.03398926654740628,-0.10714285714285673,-0.056776556776556145,-0.07840059100563211,0.09340659340659405,0.3053613053613061,0.04529616724738666,-0.06331763474620615,-0.03398926654740597,-0.10714285714285669,-0.05677655677655641,-0.07840059100563256,0.09340659340659319,0.30536130536130485,0.04529616724740184,-0.06331763474619788,-0.03398926654740313,-0.10714285714285579,-0.05677655677655845,-0.07840059100563704,0.09340659340658472,0.30536130536129297,0.045296167247389746,-0.06331763474620446,-0.033989266547405264,-0.1071428571428562,-0.0567765567765565,-0.07840059100563314,0.09340659340659169,0.3053613053613025,0.045296167247373745,-0.06331763474621357,-0.03398926654740887,-0.10714285714285832,-0.05677655677655538,-0.07840059100562959,0.09340659340660072,0.3053613053613162,-0.2359471981816593,-0.10052910052910051,0.04609485704759547,-0.06337116686579099,0.009557945041815941,-0.07111231589410026,-0.0031362007168459724,0.18279569892473155,1.456940144547131,1.2336310726901014,1.0041387907148143,1.0713104287149553,0.9877695155816273,1.0038745769058315,0.7308218888585052,0.3831882880980747,1.358885017421602,1.2755102040816322,1.0963455149501657,1.1160714285714282,0.9821428571428569,0.9363745498199277,0.6428571428571426,0.3246753246753243,1.3588850174216,1.27551020408163,1.0963455149501637,1.1160714285714262,0.982142857142855,0.936374549819926,0.6428571428571417,0.3246753246753242,1.358885017421603,1.2755102040816335,1.096345514950168,1.1160714285714308,0.9821428571428588,0.9363745498199287,0.6428571428571429,0.32467532467532484,1.3588850174216016,1.2755102040816297,1.0963455149501635,1.1160714285714268,0.9821428571428549,0.936374549819926,0.6428571428571423,0.32467532467532434,1.3588850174216034,1.2755102040816324,1.0963455149501655,1.116071428571428,0.9821428571428567,0.9363745498199276,0.6428571428571432,0.32467532467532473,1.7302648832939957,1.0151049667178706,0.8032216387430193,1.054454151732378,0.9610215053763445,1.1394235113400206,0.963205645161291,0.5241935483870972,83.37819760623776,41.689098803118895,59.10488731682803,83.37819760623779,5.955585543302699,41.689098803118895,2.1316282072803006E-14,0.09897049858537105,0.007069321327526503,-3.2381068542812765,100.63147735232849,7.187962668023464,6.456051146818357,83.37819760623776,41.689098803118895,59.10488731682803,83.37819760623779,5.955585543302699,41.689098803118895,2.1316282072803006E-14,0.09897049858537105,0.007069321327526503,-3.2381068542812765,100.63147735232849,7.187962668023464,6.456051146818357,83.37819760623776,41.689098803118895,59.10488731682803,83.37819760623779,5.955585543302699,41.689098803118895,2.1316282072803006E-14,0.09897049858537105,0.007069321327526503,-3.2381068542812765,100.63147735232849,7.187962668023464,6.456051146818357,83.37819760623776,41.689098803118895,59.10488731682803,83.37819760623779,5.955585543302699,41.689098803118895,2.1316282072803006E-14,0.09897049858537105,0.007069321327526503,-3.2381068542812765,100.63147735232849,7.187962668023464,6.456051146818357,83.37819760623776,41.689098803118895,59.10488731682803,83.37819760623779,5.955585543302699,41.689098803118895,2.1316282072803006E-14,0.09897049858537105,0.007069321327526503,-3.2381068542812765,100.63147735232849,7.187962668023464,6.456051146818357,83.37819760623776,41.689098803118895,59.10488731682803,83.37819760623779,5.955585543302699,41.689098803118895,2.1316282072803006E-14,0.09897049858537105,0.007069321327526503,-3.2381068542812765,100.63147735232849,7.187962668023464,6.456051146818357,97.46129842591077,48.09469774138757,69.48088868849779,97.36606033067267,6.954718595048048,48.09469774138757,-0.22222222222220012,0.07349352220332378,0.0052495373002374125,-3.6547812139095943,102.56992326231862,7.326423090165616,6.482762641837532,0,11.900000000000002,12.100268850778194,-0.15114281010737063,0.04915724826478855,5.787478833793453,10.725269731003499,15.0,41.0,41.0,41.0,15.0,0.0,0.0,0.0,0.0,0.0,28.423381999999993,3.7894210767901053,3.4127327309425297,3.193336723812294,2.8893969273863624,2.669456613911226,2.63705319770601,2.3869601894083003,1.8456290263947785,2.0853375231076594,1.8320012648907145,1.687160872008425,1.4688403160699544,1.3761351693372488,1.2312699394115865,1.1379163241947106,0.8836266147251175,3.8088007670220216,3.4404024325203566,3.2269523967972793,2.9273715300653635,2.720847329206936,2.676923832659747,2.440730825578948,1.9276111612473252,2.040569532674464,1.7697579788806326,1.6161691038219883,1.3828149984827167,1.2836619481138265,1.1448642938047557,1.0363269299671831,0.7551509890033952,3.89474211511423,3.5633209658864766,3.374753603178185,3.0969983843246305,2.9445166739441637,2.852592222143236,2.673894999740396,2.2688092851849606,1.9120770709853725,1.588072121498554,1.4041721024724372,1.1312480512311869,0.9878225212974728,0.8879258315980074,0.7194137075446175,0.33266284964592086,3.823110591121841,3.460859124344485,3.2517311605650328,2.955514062047561,2.758821234061014,2.7062034959118018,2.4802410756230957,1.987094935758595,2.012365334339634,1.7302262101684487,1.570647609595457,1.3280913734393183,1.2226504839555155,1.089486954278633,0.9699878794873362,0.6696084566313669,3.937155441461673,3.623807709083553,3.4464254732518587,3.1807184850953325,3.049119820854381,2.9388612157498204,2.7841688257089583,2.4220247142423736,1.8728343193094243,1.5320003798680377,1.3373535027174175,1.0536855096008524,0.8887751578137483,0.8078495573281164,0.6155474095643295,0.18566137534040933,3.8048758911186704,3.5258557842451927,3.310140418528654,3.0647934816483375,2.92095077055025,2.7283259055455673,2.5714876125770747,2.1602775654531547,2.0126873052014385,1.656500685213095,1.4836531203992185,1.2208795765876261,1.0332101702694472,1.0147257389009683,0.835382455685494,0.4676504673276967,0,0,0,0,0,2,8,4,0,0.0,0.0,0.0,0.15137471507731048,0.24254684246220476,0.0,0.0,0.0,0.15137471507731048,0.24254684246220476,0.6745344540380912,0.0,0.21982198216447035,0.0,0.6745344540380912,0.0,0.21982198216447035,0.0,1.9550230438145426,3.1979064898552574,4.480190580737558,1.9550230438145426,3.1979064898552574,4.480190580737558,9.966255326250886,6.825698502695489,5.6886817612433065,5.005039367593909,3.9974912051260745,3.2587596315187533,1.899190608395147,1.2648146334979848,0.7118753804464919,0.4550465668463659,0.2844340880621653,0.18537182842940403,0.11757327073900219,0.07948194223216472,0.05426258881128992,0.03720043039699955,9.966255326250886,6.825698502695489,5.6886817612433065,5.005039367593909,3.9974912051260745,3.2587596315187533,1.899190608395147,1.2648146334979848,0.7118753804464919,0.4550465668463659,0.2844340880621653,0.18537182842940403,0.11757327073900219,0.07948194223216472,0.05426258881128992,0.03720043039699955,21.04376144921634,38.541879096868186,36.4313725490196,36.879999999999995,24.38120838323356,306.11001077844315,0.5260940362304085,0.9635469774217047,0.91078431372549,0.9219999999999999,0.609530209580839,7.6527502694610785,4.639000000000005,62.24400000000006,103.58736649595619,140.18040274098774,207.1747329919124,14.798195213708027,103.58736649595619,0.199094783844393,0.014221055988885215,-2.259563973698132,77.90150917658497,5.564393512613212,6.097623456322029,159,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,8.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.8000000000000003,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.859878826530613,0.0,12.164287840136055,0.0,0.0,0.0,4.309166666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.372128448601663,0.0,1.396712962962963,0.0,0.0,0.0,0.9869444444444443,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4877503779289496,0.0,1.5552314814814816,0.0,0.0,0.0,1.1217592592592591,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.333333333333336,1.523809523809524,0.2,2.4877503779289496,0.2,0.9869444444444443,9.794050225340136,0.34638888888888897,0.4877503779289495,2.254907407407408,0.34638888888888897,0.4877503779289495,2.254907407407408,7.0,0.5,0.0,0.0,0.44,0.7,0.44,0.44,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.14286,0.28571,0.0,7.5,0.53571,7.5,0.53571,0.0,0.0,-7.5,-0.53571,0.0,0.0,19.02542,1.35896,19.02542,0.0,0.0,6.82568,0.48755,6.82568,0.0,0.0,0.08832,0.00631,0.26032,0.01859,0.25,43.0,0,0,0,0,0,0,1.0,0.9340680553754911,1.4166422780956525,2.6841837197791887,3.615311532225102,4.092896608419107,4.325070520364182,37.362722215019645,56.6656911238261,107.36734879116754,144.61246128900407,163.71586433676427,173.0028208145673,0.1755130920075425,0.2661896690142401,0.5043630188009894,0.6793236337969762,0.7690627410676679,0.8126886427719993,4.387860039511872,3.90528581679171,2.637744375108174,1.7066165626622607,1.2290314864682559,0.9968575745231805,0.1743460547971063,0.2644196970695833,0.5010093635051018,0.6748066148697742,0.7639490209131197,0.8072848414044461,6.768335828953244,12.559226501595182,18.233556482821218,21.71256775457218,23.293107446070128,22.977489377905734,55.03160484820687,43.359447562592734,33.98394864930782,25.629335400868403,21.801375208468475,21.371599318578497,10.515555555555556,4.68,2.1728395061728394,4,0,4,3.0,1.864000000000001,0.33333333333333337,3.7741113969077045,2.9557379384290847,0.0,9.972207146555277,13.697958273341964,0.0,3.965406456500188,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.129,0.14400000000000002,0.271,0.396,6.5600000000000005,20.0,27.0,34.0,41.0,35.0,34.0,30.0,25.0,12.0,287.0,2.772588722239781,3.044522437723423,3.332204510175204,3.5553480614894135,3.7376696182833684,3.58351893845611,3.5553480614894135,3.4339872044851463,3.258096538021482,2.5649493574615367,5.662960480135946,1.0,0.42857142857142855,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,3.0,0.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.13333333333333333,4.0,0.26666666666666666,1,4.0,7.0,0.75,2.0,1.7777777777777786,0.9375,0.6755555555555557,0.2708333333333333,0.1404081632653061,0.027777777777777776,0.0,0.0,0.0,0.13333333333333333,0.08888888888888893,0.044642857142857144,0.039738562091503275,0.022569444444444444,0.028081632653061222,0.027777777777777776,0.0,0.0,0.0,0.38503249633186615,41.689098803118895,59.10488731682803,83.37819760623779,5.955585543302699,41.689098803118895,0.09897049858537105,0.007069321327526503,-3.2381068542812765,100.63147735232849,7.187962668023464,6.456051146818357,0.0,225.98732606133353,4.807354922057604,4.2626798770413155,5.10594547390058,5.968707559985366,6.834108738813838,7.704811922932594,8.575273402492762,9.447702360527948,10.319595820742773,11.192403346212057,98.41122850264924,3.4339872044851463,0.0,4.709530201312334,0.0,6.22455842927536,0.0,7.847371836159788,0.0,9.523763287920113,9.73489137036065,194.203450832,4.855086270799999,28.378052863956654,2.0270037759969037,0.0,0.0,0.0,283.0,21.0,7.382000000000001,70.0,1.2646045087230418,2.186839825657552,2.9278848454327977,3.6225666858368237,4.41833721008901,5.203252288862723,5.842095659604373,6.5530301862412665,7.250554346811424,0.0,89.15997930371272,101.01692719837885,97.1405931696085,98.64865228211397,88.83113301460054,66.22896241602088,37.649928655597385,18.0112097684218,7.367027251838603,0.0,317.64275180695654,407.53521901437443,428.8805004974976,475.9715494128443,482.9753193870821,454.57445110213735,366.76305289349006,289.32084773177223,225.37437829885678,0.0,9.23729694164946,15.693181134804847,20.714540054255085,25.53309739312203,30.89014433780971,36.10049344195384,40.05098217895868,44.434890784004885,48.71258835909607,0.0,2.3443812959089083,3.2196262859619442,3.5739337420360613,4.109129207389604,4.393160000443905,4.462649288982206,4.0158363816445375,3.5982883889690758,3.22369002990137,0.0,178.92728046969472,328.9905651533401,462.2684350800402,578.4629090409056,724.0960029269128,872.9422856103022,1017.0760923857409,1179.2250868887297,1340.7554856865806,0.0,2.3237605234621737,3.4654622464206506,4.282902140918241,5.279198418841483,6.20429956168773,7.057464404484172,7.238886218909745,7.272933777093362,7.250554346811424,0.0,0.48371796298597897,0.6731689204833312,0.7552277500169423,0.8735450445172536,0.9426852462989217,0.9695455636930028,0.8882526913712623,0.811879382250151,0.7424567651134898,0.0,411.0055347902733,280.9406700849668,10.654478494715878,46.48110685695303,-31.771915950832046,-2.6047364760890677,364.5244279333203,312.7125860357989,13.259214970804946,0.8983989856193546,0.6140958981302971,0.023289157594532955,0.10160101438064545,-0.06944883862932935,-0.005693579306950808,188.0295418096244,128.52660365929285,4.874281585050163,21.264485476033308,-14.535227127044093,-1.1916321428220185,0.044446804369545,0.09498952551283799,0.11799052220005493,0.8932004515631885,457.48664164722635,0.0,1.0,0.0,928.7736787961102,30.475788403191643,9.756707823427076,1180.636616922589,34.360393142724504,10.569118069649052,1929.777742425579,43.929235623051525,12.449992725759481,1.8062476848813724,1.8062476848813724,1287.5403808392057,853.4519040951952,542.3395745663086,1.5086267599393528,2.3740483660422718,1.5736485849804953,5.218270983447511,4.5989402978240195,8.398809024006814,0.8262487616942312,7.252169855819908,11.709957350370171,9.402166380792604,48.250447626258314,17.303005378877828,22.34325030213598,31.49095791499788,30.749792977243565,25.064680381237295,14.215223852597257,15.702779646977255,12.679978134957834,6.531383165055288,2.1870162761799605,1.340275822100345,0.35916931855736395,2.0103373148829915E-16,2.1702738718225385E-53,4.51893458660607E-112,1.8148196480920646E-192,1.4057458013417569E-294,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6085663173711688,11.619579920939811,0.6164324471423748,20.300385414151766,3.9083583560541104,2.416633841868316,3.5778329309198647,2.1749653382310594,3.7436639814623156,0.8590375214270545,1.7916430844549516,1.3166466590224761,0.2405610071056488,0.07466601667951966,0.009439674194289132,0.002529658878181287,1.4158970084524842E-18,1.5285416332308267E-55,3.18272257854419E-114,1.2781923170758555E-194,9.900782620056383E-297,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9645644464581082,11.628731414879773,2.103666279402472,23.598726179888512,5.108137107832747,5.451238440768449,7.88114936501206,6.848949711744107,6.390146790479351,2.3784930507439057,3.518915664527203,2.7254917123237785,0.9792286870403081,0.31277191305972685,0.0983686674974787,0.026360995887895866,1.4754738490406516E-17,1.5928582330059054E-54,3.3166423160436926E-113,1.3319749435386923E-193,1.031737884445118E-295,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.845416773398209,11.701135727118384,8.756014303634617,45.687896514196666,15.940190972525372,20.75797160847433,29.288862461873638,28.590536150685228,23.156041372564257,12.970632335449423,14.457659551238933,11.662164203181398,5.953310866282474,1.9893979983346035,1.1941616291497923,0.3200133965145332,1.791174354367532E-16,1.933674947176074E-53,4.0262893598352907E-112,1.6169716332674324E-192,1.2524942005912786E-294,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.8954452316037647,11.63777394182241,3.215499570763686,26.577581103210914,6.38732915231211,7.841071724008414,11.249251813840973,10.401549468451718,8.713299601647744,3.7798835089008955,5.034895166396759,3.9630114480181433,1.6482483420629046,0.533550574093271,0.2136698855779429,0.05725960559949278,3.2049263627109814E-17,3.459900930362885E-54,7.204190302174834E-113,2.893227564685908E-193,2.241072552668951E-295,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.758234806960813,11.746354015339502,11.91753836739646,58.7051993216073,22.965206567980264,28.62769157185426,40.20440172101745,39.20998970320653,32.81660610581989,19.308139082430166,20.759677592338406,16.81427226203777,8.890807964662054,2.9962592706637823,1.9546663188087698,0.5238146958184317,2.931888039093997E-16,3.165140476301146E-53,6.59044139798482E-112,2.6467438971372784E-192,2.0501481370554907E-294,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.964973112347238,10.772933895357818,5.462910308963514,33.09497157435692,9.976097563148155,13.082469589635206,18.809404713231565,18.02722011186087,14.907314967271045,7.429956436776136,9.468551974168419,7.521117560337213,3.4940742162498335,1.2584464979009213,0.5772086415705161,0.15468131785527095,8.657800350228505E-17,9.346589623766983E-54,1.9461427272395274E-112,7.815776023521486E-193,6.0540419764815874E-295,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.028045147268248,3.2408928489487105,0.7720813142966105,0.5561369768806116,0.3584654271427072,0.5244852896439683,0.499063967132229,0.40290845525277874,9.041019310513569,22.6796480779293,44.30200692766151,0.37190360603497824,1.4264577120289759,4.129605642225281,2.5153998611404353,0.27988480605621513,0.5963423906666917,0.363240390640991,0.353985646622904,0.298597756251307,0.05280685556883632,6.924890309421931,12.247445535570224,22.079669903817177,0.43937417196152406,0.7053902584430474,4.477678552266665,2.797307055195085,0.4709500163819822,0.5780681340138386,0.3611322364446645,0.4160302421539347,0.37047541136019524,0.14971906155107792,7.7459356238437325,15.951596396164053,29.596389043335336,0.40880055568775475,0.9362247150652079,5.004901029741402,3.2222871132048616,0.7594398362851562,0.5569275863324928,0.3585646496830336,0.5196685534452617,0.49329240510518435,0.3898089362685254,8.986627979231418,22.37528250736775,43.60956994776269,0.3732383540232896,1.4027698948189715,4.636492260598727,2.9255635634921875,0.5579600685813658,0.5709954662506045,0.36029037407824466,0.4460226582087076,0.40571597208269555,0.21025054255231612,8.12001589267228,17.783678006247044,33.47206112864017,0.3969287604932737,1.0619891728437194,5.100810493721204,3.299363956664297,0.8118146786317704,0.5537143414177427,0.35815977531622106,0.5397757525761624,0.5174163822931388,0.44549008698677106,9.211989129017272,23.648815214649275,46.52318288833828,0.36781117510094574,1.5026822218560723,5.024948774774572,3.229314651111113,0.7622532642937115,0.5573048825216108,0.3581554564889139,0.5238394890124309,0.4955631450702069,0.3927432874568921,9.016516690179397,22.518979940183918,43.90468759868184,0.3731905085157871,1.41214592153953 +UMLCN0225,L,2-methyl-2-cyclohexylpentadecane,CCCCCCCCCCCCCC(C)(C)C1CCCCC1,Naphthenes,,C22H44,Creton (2011),Unknown,UML,,45,0,-2.7990000000000013,7.834401000000007,76.8576,68.05889199999994,0,0,66,22,44,0,22,0,0,0,0,0.0,0.0,0.0,0.0,0.0,3218.5174779999966,3706.5225340000043,4745.851850000011,4888.436305000026,4468.938454000038,3930.230491000004,3346.0566880000024,3020.100567,2811.1510700000013,10685.056593446216,14365.782958788084,20998.546110328236,24237.44629095017,23629.252580104894,21419.32356081502,18585.43099253527,16182.596528427628,14802.79325030133,461.5037679999996,479.0671600000005,940.1440400000008,1370.5685800000017,1508.7910000000027,1442.266156000003,1293.9222400000033,1106.1133080000034,962.6068400000031,80.9187678133558,110.3517496399999,173.15488032607436,212.19983433943088,213.83491265065607,196.78015257520292,172.38324342610863,148.66936822792007,134.3124845103357,10925.852523046957,9526.8679333476,20354.316028002413,31426.34931523729,35515.78499986057,34312.0519582472,30984.692405276943,26495.170556915407,22797.203577585864,97.59027777777777,119.625,205.54166666666669,283.3750000000001,302.08333333333337,284.5416666666667,250.79166666666669,213.54166666666666,189.29166666666666,48.765416333333285,56.1594323333334,35.95342310606069,25.06890412820526,20.689529879629806,18.98662072946862,17.98955208602152,18.994343188679245,20.37065992753624,161.89479687039722,217.66337816345583,159.07989477521392,124.29459636384703,109.39468787085599,103.47499304741557,99.9216720028778,101.77733665677754,107.26661775580675,6.992481333333327,7.258593333333341,7.122303333333339,7.028556820512829,6.985143518518531,6.9674693526570195,6.956571182795717,6.956687471698134,6.975411884057993,1.226041936565997,1.6719962066666652,1.3117793964096542,1.088204278663748,0.9899764474567411,0.9506287564019464,0.9267916313231647,0.9350274731315728,0.9732788732633022,165.543220046166,144.3464838386,154.19936384850314,161.1607657191656,164.42493055491002,165.7587051123053,166.58436777030613,166.63629281078872,165.19712737381062,1.4786405723905722,1.8125,1.5571338383838385,1.4532051282051288,1.398533950617284,1.374597423510467,1.3483422939068102,1.3430293501048218,1.3716787439613527,0.09037348897733788,-0.006032693246788126,-0.022591032165942226,-0.016222441668278156,-0.006451910376667118,-0.003000148130347831,-0.0012740611744133002,0.007567740693113675,2.7213732994343497E-6,1775.634798666667,6.0609295360336546E-12,-403.5533633333265,-403.5533633333305,-201.77668166666717,-80.71067266666819,-1.623590151211829E-12,161.42134533333234,8.171241461241152E-14,3301.8687304419254,-1.7550405573274475E-11,-750.4247114640908,-750.424711464081,-375.2123557320374,-150.0849422928106,8.377298854611581E-12,300.1698845856381,4.057199021190172E-12,0.3478346666666656,-2.2077825678756824E-14,-0.07905333333335504,-0.07905333333334255,-0.03952666666666577,-0.01581066666666113,7.716917382882826E-15,0.031621333333339725,2.332335713450817E-15,14.760889511118698,3.325117958752344E-14,-3.354747616163296,-3.3547476161633067,-1.6773738080816545,-0.670949523232664,-7.577272143066693E-15,1.3418990464653207,-6.689093723366568E-15,80.18138609725183,-1.5778489625972725E-12,-18.223042294831657,-18.223042294830783,-9.11152114741504,-3.6446084589656897,4.505285033928885E-13,7.289216917932373,1.0236256287043943E-13,5.2113846801346675,-1.3450126262626223,-0.11721380471379872,-0.8198318411386487,-0.3372168656259465,-0.4060347796143164,-0.25449571472298116,0.42131064432201115,0.01666284052648015,0.0013692952875354223,-9.140444313315343E-5,-1.711441830753199E-4,-8.319200855527259E-5,-2.986995544753295E-5,-1.4493469228733483E-5,-6.84979126028656E-6,4.7595853415809274E-5,1.972009637271268E-8,26.903557555555558,9.183226569747961E-14,-3.0572224494948976,-2.0695044273504126,-0.934151304012348,-0.38990663123994296,-8.728979307590478E-15,1.0152285870020903,5.921189464667501E-16,50.028314097604934,-2.6591523595870415E-13,-5.6850356929097785,-3.848331853661954,-1.7370942395001732,-0.7250480304000513,4.5039241153825706E-14,1.8878609093436358,2.939999290717516E-14,0.0052702222222222065,-3.345125102841943E-16,-5.988888888890533E-4,-4.054017094017567E-4,-1.8299382716048968E-4,-7.638003220609242E-5,4.148880313377864E-17,1.9887631027257688E-4,1.6900983430803023E-17,0.22364984107755603,5.038057513261127E-16,-0.025414754667903758,-0.017203833929042598,-0.007765619481859511,-0.0032413020446022413,-4.0738022274552116E-17,0.008439616644435979,-4.8471693647583827E-17,1.2148694863219975,-2.390680246359504E-14,-0.13805335071842165,-0.09345149894785017,-0.04218296827506963,-0.017606804149592703,2.422196254800476E-15,0.045844131559323105,7.417577019597061E-16,0.07896037394143436,-0.020378979185797307,-8.879833690439297E-4,-0.00420426585199307,-0.0015611891927127153,-0.0019615206744652966,-0.0013682565307687159,0.0026497524800126486,1.2074522120637789E-4,-0.06675290856924744,-0.12498705329174119,-0.06075534569684298,-0.021814108117830095,-0.010584619227617513,-0.005002420823791349,0.034759378673884476,1.4401638968762273E-5,3.4133874491448563E-15,-0.1136363636363617,-0.07692307692307637,-0.03472222222222231,-0.014492753623188678,-3.2445446255816647E-16,0.03773584905660354,2.2008946037862497E-17,-5.3152947636793265E-15,-0.11363636363636617,-0.07692307692307765,-0.03472222222222226,-0.014492753623188002,9.002750135843958E-16,0.03773584905660484,5.87667072886285E-16,-6.347218317924097E-14,-0.11363636363639516,-0.07692307692308613,-0.03472222222222154,-0.014492753623183374,7.872306211081314E-15,0.03773584905661151,3.206882502893145E-15,2.252654188792407E-15,-0.11363636363636213,-0.07692307692307615,-0.0347222222222219,-0.014492753623188316,-1.821509108983682E-16,0.037735849056603335,-2.1673028433217212E-16,-1.9678494466078483E-14,-0.11363636363637421,-0.07692307692308038,-0.034722222222222446,-0.0144927536231872,1.993791334848359E-15,0.037735849056605784,6.105657523800095E-16,-0.25809121928567086,-0.011245936723938962,-0.05324526268215767,-0.019771805967771425,-0.02484183618380752,-0.017328394769046615,0.03355800318243166,0.001529187555468465,1.5474294456453426,1.2908641166883574,1.088827559050835,0.993346791393488,0.9663374935040805,0.9403014310983586,0.8996027131173172,0.9705960120795882,1.4772727272727282,1.342975206611571,1.1363636363636371,1.0156250000000007,0.9634387351778663,0.9292521994134904,0.8919382504288171,0.9634387351778663,1.4772727272727295,1.342975206611572,1.1363636363636378,1.0156250000000013,0.9634387351778668,0.929252199413491,0.8919382504288177,0.9634387351778669,1.4772727272727295,1.342975206611575,1.1363636363636394,1.0156250000000027,0.9634387351778688,0.9292521994134929,0.891938250428819,0.9634387351778683,1.477272727272723,1.342975206611567,1.1363636363636345,1.0156249999999984,0.9634387351778637,0.9292521994134874,0.8919382504288134,0.9634387351778623,1.477272727272728,1.3429752066115703,1.1363636363636374,1.0156250000000009,0.9634387351778657,0.9292521994134899,0.8919382504288167,0.9634387351778659,1.8058107371438996,1.0000201901916073,1.1097942619475483,1.0241530775460417,1.0036149221317003,0.9115627273431878,0.8114114201056994,0.8896961551730365,281.8120021604172,140.90600108020857,223.71193702324086,281.81200216041714,12.809636461837137,140.90600108020857,-5.6843418860808015E-14,0.28493132959120504,0.012951424072327501,-2.762115568408025,209.4235060254216,9.5192502738828,11.757588801897459,281.8120021604172,140.90600108020857,223.71193702324086,281.81200216041714,12.809636461837137,140.90600108020857,-5.6843418860808015E-14,0.28493132959120504,0.012951424072327501,-2.762115568408025,209.4235060254216,9.5192502738828,11.757588801897459,281.8120021604172,140.90600108020857,223.71193702324086,281.81200216041714,12.809636461837137,140.90600108020857,-5.6843418860808015E-14,0.28493132959120504,0.012951424072327501,-2.762115568408025,209.4235060254216,9.5192502738828,11.757588801897459,281.8120021604172,140.90600108020857,223.71193702324086,281.81200216041714,12.809636461837137,140.90600108020857,-5.6843418860808015E-14,0.28493132959120504,0.012951424072327501,-2.762115568408025,209.4235060254216,9.5192502738828,11.757588801897459,281.8120021604172,140.90600108020857,223.71193702324086,281.81200216041714,12.809636461837137,140.90600108020857,-5.6843418860808015E-14,0.28493132959120504,0.012951424072327501,-2.762115568408025,209.4235060254216,9.5192502738828,11.757588801897459,281.8120021604172,140.90600108020857,223.71193702324086,281.81200216041714,12.809636461837137,140.90600108020857,-5.6843418860808015E-14,0.28493132959120504,0.012951424072327501,-2.762115568408025,209.4235060254216,9.5192502738828,11.757588801897459,312.28578609096655,155.89704335974125,247.21577409980415,312.0540195620409,14.184273616456405,155.89704335974125,-0.28327020202036124,0.21251498018369194,0.009659771826531452,-3.4072341558645287,185.77965533350755,8.444529787886706,11.494034909978778,0,11.900000000000006,12.100490852638124,-0.15126826498549692,0.04924431135814608,5.12738590212835,10.870076362107504,22.0,66.0,66.0,66.0,22.0,0.0,0.0,0.0,0.0,0.0,48.10110799999999,3.722607959444004,3.5327561711926,3.4357890700636347,3.327735887747683,3.1675096033939565,2.940153354269674,2.750129471945493,2.6793747384375077,2.038811268568288,1.9419478004938455,1.867589161861935,1.7804685775149975,1.673288779237322,1.5225751145987223,1.3728744165178648,1.346591785783254,3.7430304577580875,3.560849541185118,3.465218378193371,3.3582906374133,3.201938919795644,2.9802161567645364,2.792995693681244,2.7252017600763248,1.990658774817974,1.882925748929798,1.8051096504311206,1.7145763740517037,1.6005252690687215,1.4401962402601638,1.2852290050479296,1.2533819494185905,3.834279610613465,3.683429438800607,3.5941726217361296,3.4928380561212466,3.3532823298663095,3.156142666698173,2.9815376553220236,2.9277166267416765,1.8527931918628493,1.7077224352324596,1.6198097703844083,1.519697806621135,1.3834030039438023,1.1910322880869035,1.018928273672875,0.9679428283976033,3.758151020836622,3.5814936425017634,3.4868780285077525,3.3808171904951676,3.2273150097580428,3.0097506011981414,2.8246242639791586,2.759086461516665,1.96033520708272,1.845209568383448,1.765185741605492,1.6725048706032426,1.5538862862348322,1.3870766285504537,1.2285965048401606,1.1929253091390366,3.8796246137603614,3.7425951565620728,3.6566450444182417,3.5583425150103603,3.4266662059545614,3.2410298359062044,3.072480534273647,3.0255291376423368,1.81092745859645,1.6525132864450118,1.5615786192582923,1.458738019400186,1.314989325939133,1.1117076729463302,0.9339036709558727,0.8764725741860869,3.758011460772502,3.6038625423436064,3.520683010936199,3.4360050831531166,3.2992431829599425,3.0908131219199406,2.8680663889177906,2.8420251680597324,1.946890362436425,1.8003314459482584,1.710202917606432,1.6008688341410597,1.4625300636558438,1.2803886231886388,1.1473448137856443,1.0795772009330988,0,0,0,0,0,3,17,1,1,0.0,0.0,0.0,0.10206207261596577,0.051031036307982884,0.0,0.0,0.0,0.10206207261596577,0.051031036307982884,1.1948143829493563,0.20412414523193154,0.348461712529338,0.10206207261596577,1.1948143829493563,0.20412414523193154,0.348461712529338,0.10206207261596577,2.1191350466910124,2.76034625029941,3.0307646426524846,2.1191350466910124,2.76034625029941,3.0307646426524846,16.09816554936094,10.66583188730236,8.609048967568967,6.135011084232396,4.333016262251426,3.0603048219429425,1.7446233151691726,1.1711349767722772,0.7317347976982245,0.48481054033192544,0.3311172679834218,0.21910753872258557,0.14941435387073881,0.10201016073143142,0.06978493260676691,0.048797290698844885,16.09816554936094,10.66583188730236,8.609048967568967,6.135011084232396,4.333016262251426,3.0603048219429425,1.7446233151691726,1.1711349767722772,0.7317347976982245,0.48481054033192544,0.3311172679834218,0.21910753872258557,0.14941435387073881,0.10201016073143142,0.06978493260676691,0.048797290698844885,33.920211683289196,63.53241077931548,59.9607843137254,60.72000000000007,39.56819880239527,506.621611976048,0.5139426012619576,0.962612284535083,0.9084967320261423,0.920000000000001,0.5995181636726556,7.676085029940121,8.294000000000006,101.4340000000001,163.5813601806184,250.10988930713987,327.16272036123667,14.871032743692577,163.5813601806184,0.00871888345452665,3.9631288429666585E-4,-10.432981005623589,214.37535854948405,9.744334479522003,11.809002678996254,581,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,17.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.200000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.383067825082784,0.0,25.071518498612637,0.0,0.0,0.0,1.0179358786850945,0.0,0.0,0.0,0.0,0.0,0.6108111309528121,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.301146060156316,0.0,1.3722275892605562,0.0,0.0,0.0,1.0179358786850945,0.0,0.0,0.0,0.0,0.0,0.6108111309528121,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.540960882463234,0.0,1.5049913194444444,0.0,0.0,0.0,1.0179358786850945,0.0,0.0,0.0,0.0,0.0,0.6108111309528121,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,34.08333333333333,1.549242424242424,0.2,2.540960882463234,-0.0,0.6108111309528121,15.856228692291658,0.6391888690471879,0.5409608824632343,2.786100927943347,0.6391888690471879,0.5409608824632343,2.786100927943347,11.0,0.5,0.0,0.0,0.43333,0.7,0.43333,0.43333,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.13636,0.04545,0.04545,11.0,0.5,11.0,0.5,0.0,0.0,-11.0,-0.5,0.0,0.0,33.88648,1.54029,33.88648,0.0,0.0,10.66583,0.48481,10.66583,0.0,0.0,0.24817,0.01128,0.33417,0.01519,0.09090909090909091,22.0,0,0,0,0,0,0,1.0,0.9182958340544896,1.2798979523363274,2.2018368776716875,3.1086318815811342,3.5890552029091722,3.601964430327577,60.60752504759631,84.47326485419761,145.32123392633136,205.16970418435486,236.87764339200538,237.72965240162006,0.15192520803920653,0.2117495859902952,0.3642775163551692,0.5142999976829905,0.5937824589257775,0.5959181944790003,5.126098285303964,4.764496167022126,3.842557241686766,2.935762237777319,2.455338916449281,2.4424296890308765,0.15192520803920653,0.2117495859902952,0.3642775163551692,0.5142999976829905,0.5937824589257775,0.5959181944790003,6.732876570223358,11.072101989605413,15.687970554810057,18.737258430610776,19.4562588417588,18.782142061588736,86.89725005288479,73.32042840112643,62.80790082284712,50.46000886693404,45.50109795738675,48.36050111312831,20.045454545454547,12.42603550295858,9.693877551020408,16,0,15,3.88,3.0997999999999983,0.4099138248797977,8.389918552880614,0.7841369378620653,1.2758711108489706,27.937983735962277,3.897925509379849,3.9163217550848994,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.14,0.131,0.15900000000000003,0.212,10.468000000000002,26.0,28.0,29.0,30.0,25.0,24.0,19.0,18.0,17.0,260.0,3.1354942159291497,3.295836866004329,3.367295829986474,3.4011973816621555,3.4339872044851463,3.258096538021482,3.2188758248682006,2.995732273553991,2.9444389791664403,2.8903717578961645,5.564520407322694,1.0,0.47058823529411764,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,0.5909090909090909,16.0,0.7272727272727273,2,9.0,17.0,0.8888888888888888,3.0,1.7777777777777781,0.9375,0.4088888888888891,0.3263888888888889,0.1420408163265306,0.10590277777777779,0.08213655832703451,0.06562500000000002,0.053667993061932456,0.13636363636363635,0.06837606837606838,0.0375,0.018585858585858595,0.017178362573099414,0.008877551020408162,0.007060185185185186,0.005866897023359608,0.005048076923076924,0.004472332755161038,0.3304237163008139,140.90600108020857,223.71193702324086,281.81200216041714,12.809636461837137,140.90600108020857,0.28493132959120504,0.012951424072327501,-2.762115568408025,209.4235060254216,9.5192502738828,11.757588801897459,0.0,376.7116617690691,5.459431618637297,4.574710978503383,5.3230099791384085,6.115892125483034,6.892641641172089,7.70210434005105,8.495560891289124,9.3171298661577,10.122181217776706,10.952857074625786,113.49608811419726,3.8066624897703196,0.0,5.003946305945459,0.0,6.391917113392602,0.0,7.8804263442924,0.0,9.432283202713874,9.676524215119054,308.34430140800123,4.671883354666686,43.28229745781246,1.9673771571732936,0.0,0.0,0.0,1492.0,25.0,12.433000000000005,96.0,1.2403937431503667,2.136410496777617,2.8749942650624907,3.5668907983544322,4.488528137874022,5.525107783627433,6.669236785122881,7.848508669330189,9.008964534346902,10.147086599736555,80.88379456348748,85.76827893285893,82.02316458618608,89.33917995849991,102.57686894652376,118.55924588959446,148.1023076155572,182.7597784237173,205.37405354203074,227.57416834326995,296.2127432972194,364.3697910230034,384.2981334413833,436.56809043714225,519.1189514031905,612.3486974113564,746.0563780205179,913.4054980580678,1034.594767964268,1153.8574251612279,9.03942893852524,15.26738715160101,20.26222729516492,25.028315927627087,31.41814889758721,38.59471135443105,46.57282397577237,54.93356801068663,63.019314340556775,70.95175784209268,2.2162201882920582,2.948824627633122,3.2886087088306626,3.820179008414513,4.616129243952468,5.505337894473464,6.665101043130788,8.09412644182626,9.202398840577304,10.292871249664206,176.81044414500738,325.813263258711,459.4562955133572,578.2367716472909,733.3203710267506,908.6402977694723,1098.2443839712325,1282.7373191024622,1475.103618599681,1663.5808043977445,2.3037420885110316,3.4143609276985263,4.26900765558428,5.155564280846243,6.392060968574888,7.683037782830853,9.22253136067716,11.044217636655148,12.646708349770933,14.223178767480807,0.458426480522081,0.6192610510053326,0.698229939803187,0.8145310988499956,0.9870940004215979,1.1796891980776778,1.4270464079702583,1.7299906420556825,1.9682003871380043,2.2025595767033184,713.2148361934667,816.0864202550288,18.430540120729578,98.65441962805252,-112.88398399883478,-5.395795622735218,614.5604165654141,928.9704042538635,23.826335743464796,0.8784848435623722,1.005194388632493,0.02270136476849339,0.12151515643762802,-0.13904207258668647,-0.00664613862890434,579.0371983012564,662.5554746984976,14.963188892205372,80.09449024693086,-91.64703608330225,-4.380680576795051,0.026737676661152142,0.05704789292379051,0.28332475120214395,0.5382237903155727,811.869255821519,0.0,1.0,0.0,1427.8640041110207,37.787087796111265,11.260619448455113,1854.0935917096776,43.059187076739825,12.285058181478272,2795.629862077324,52.8737161742706,14.087260867945378,1.8206842523975817,1.8206842523975817,11725.063030120673,11514.73512185925,517.5278155886208,1.018265978855401,22.655908874743155,22.249499978590972,9.161904087464418,10.582349022805118,20.363988928365035,0.9243354083748645,12.272284288585515,20.122503070632387,13.656858313104062,78.28921139727488,43.46803186683365,23.848239870057764,27.809499472740946,28.940482399227317,64.0205743712072,22.746006506776407,13.346283195452061,51.465880836781594,12.75709207656233,58.745744608334725,12.189095455531968,9.073905173093008,32.09230132722378,14.061911667499153,45.55694337892471,12.277858329451346,11.728196937455934,23.466414541507824,8.725535019642749,36.21905308589301,12.240855346514943,11.977416236188313,15.698950340786821,8.987624559156774,24.399104194173873,9.554693674295981,1.0304926400982983,18.887727393167474,0.9199125518870997,22.364442719347725,2.197337917409052,3.1559812561921965,3.4099159146150577,4.046502460674242,13.149583499680075,1.6127115982464106,1.1433307490241518,4.276206090016174,0.5994368286381178,11.764868350399077,2.357126960516351,1.0603510693794143,4.073549174812807,1.332818404501017,9.031256780368738,2.9438087288703056,1.1021798323411232,1.9772105830253777,0.5572989743698222,6.96796230152956,1.8712543156710424,1.4964106177324976,0.9402194961940971,0.6564038571746839,4.662538660208639,1.407029979811968,3.325176546477647,19.01775193458796,3.0942258671923275,27.22202842035307,6.383591145453501,5.825761394287354,6.791918210132785,7.333132289796481,20.016524342172097,4.569493784403054,2.2062257068907107,11.791724915424627,2.1211114299912257,19.007759450561565,3.569618934011837,1.882825001152223,7.707387519063048,2.588740739820963,14.862462997657566,4.1549954753050455,2.5013202977299556,4.264768395059382,1.392174292339733,11.568003956738071,3.402894190271761,2.9738016225942765,2.663317548094268,1.652275534069911,7.415519311584002,2.752770057982833,11.584067936375632,20.00374453176249,12.72655945626792,72.54558637869505,39.44221429328665,22.03173824127437,25.750287693625385,26.781563373117947,59.66212146994343,20.972188938368717,12.094052412575286,47.82807372429879,11.673206368477825,55.039350954617944,11.306149057982807,8.295615516251155,29.639272801794114,12.807764268319945,42.74618507147699,11.460887824795773,10.805330175643208,21.408358384241605,7.930993251276944,33.943403547680795,11.399076248575449,11.101580899250022,14.339258383938551,8.22829082165067,22.739554894492773,8.943623917286843,4.9004067242931075,19.143239821078286,4.7131839968333775,32.50377068668305,10.515665332595251,8.119881977767111,9.588176450715226,10.122202680841738,25.77470820221381,7.002145686733214,3.359868909832473,17.5794443617487,3.45072593691704,24.676622498972286,4.6378371197337955,2.6889022806161793,10.821097985548521,3.8494656230135296,19.347740579096776,5.192527421294753,3.690372595950897,6.458296194987064,2.2124574455202826,15.132786331054202,4.6280205360127376,4.1845474243294705,4.229041733994503,2.5451526376310536,9.684127986330097,3.7708126853228867,14.820441854640888,20.611224755994414,17.272276923690534,102.18939945751296,60.07611405702536,31.198112163155816,36.075901574050505,37.654900205951215,81.57062222587874,29.858718003500933,18.55631817084159,65.78535044084406,17.155826427085866,73.41154773190608,15.77734873717491,12.282229581316036,42.01241087827615,19.24464718938378,56.61642444679109,15.581532196177696,15.454389696717714,31.929525964611813,12.001734807678883,45.19534783431426,15.592571487200072,15.48615188112893,21.251227869612023,12.082159734367057,31.056075204388925,11.94469047799631,8.173383304802995,18.372581642528388,7.681319333233874,47.63292145152469,21.294593177683588,14.228679851051039,15.648071800825448,17.104023235593754,39.21373986664688,13.11354167748942,6.442146060184924,29.733883429159246,6.945732967733033,36.56560462514112,7.013709248235008,4.686618678450325,18.68694368700665,7.050977089067785,28.962029229918553,7.398788403072276,6.34191652822779,12.461821216096018,4.2815664380543375,23.21506084151132,7.156539675689106,6.769484930548356,8.463637599231362,4.642265762783516,15.62331765664472,6.035521451993973,38.382510311039255,1.7613651879298589,1.0008199093048258,0.9328665561908808,0.04280904671798006,0.5526196034351569,0.4011044721453178,0.4326182285201271,41.14469540827394,107.78240732324588,216.5881506935795,0.8992998342863211,1.386342304100602,36.88989230628896,1.1802732064677688,0.4980693976217662,0.9564838108876509,0.030602209543952034,0.5105359171915473,0.18031186948589847,0.1073388230629528,38.56823491037849,62.50173588289402,122.75598781257645,0.9347257163314763,0.7981866097403987,37.48245272709654,1.4111910919760629,0.6978775721654233,0.946729284704673,0.03564377024138235,0.5270366184282088,0.25775683635445856,0.2107070406911118,39.59152139123803,80.03790511501364,156.543593266706,0.9200939270570094,0.9955004954737792,38.34553155208273,1.746992234670555,0.9883857188541979,0.9334148638274092,0.04252564647898297,0.5515561750571306,0.3946121436127031,0.4219761571514147,41.08090950560749,106.61622379945247,213.90844606432057,0.9001222957411138,1.3681444758212484,37.746692437346354,1.5140682381965072,0.7868816180866711,0.9425446861662266,0.03780667603589121,0.5344822818447714,0.29664902735884185,0.2677908866060028,40.047642293629536,88.04463900404313,173.06340625245434,0.9138170292493399,1.098922195809616,38.49828915735028,1.8063584830135253,1.0397443990787125,0.9311610900124723,0.0436905319901732,0.5559560007298197,0.4217624052761233,0.4667762363456758,41.34439203944252,111.44824284179661,225.09823960471107,0.8967416350187085,1.4444946423516187,38.396642032138644,1.7531792985141286,0.9924448708902771,0.9332651206923204,0.042612608890474184,0.5530246758328088,0.397164403834298,0.42546931931300175,41.142266201543045,107.16268218997033,215.11256376807972,0.8998976810384806,1.3756583989801086 +UMLCN0226,L,2-methyl-2-decalyldecane,CCCCCCCCC(C)(C)C1CCCC2CCCCC12,Naphthenes,,C21H40,Creton (2011),Unknown,UML,"1,1-dimethylnonyl-decalin +1,1 dimethylnonyl Decahydronaphthalene",37,0,-1.1882000000000037,1.4118192400000087,77.57889999999999,63.631719999999945,0,0,61,21,40,0,21,0,0,0,0,0.0,0.0,0.0,0.0,0.0,3070.1891009999968,3658.094182000004,5102.953493000008,5623.810446000021,5426.299564000027,4853.307336000033,3740.5910810000073,2944.5860780000016,2598.308677000001,10137.204713973162,13906.83649330601,21487.42588406033,26273.666588128563,26932.82819941038,25363.095570136782,21552.35017714238,16839.700980778973,13815.191628052606,427.0893959999997,450.5966320000005,899.9044040000007,1355.3217840000011,1577.3828320000018,1574.094624000002,1497.5631080000028,1261.412600000004,939.234388000003,76.35141619395986,105.89757239999992,173.50647575152732,223.92529391094084,237.2536026064112,227.87645422580715,200.9999328649009,159.22690356490028,126.62077026973154,10059.38755885996,8914.377742496003,19261.21085392228,30517.389670870627,36576.943257982544,36809.436441719525,35653.27893181889,30679.219432161943,22491.344543315467,90.39583333333334,111.84722222222219,196.52777777777786,282.2083333333336,317.3333333333336,317.4166666666668,294.87500000000006,238.125,180.74999999999997,50.33096886885241,59.001519064516195,40.49963089682546,29.29067940625011,24.116886951111233,21.57025482666681,17.398098051162826,16.179044384615395,19.246730940740747,166.1836838356256,224.30381440816143,170.53512606397086,136.84201347983625,119.70145866404614,112.72486920060793,100.24348919601107,92.52582956471963,102.33475280038967,7.001465508196716,7.267687612903234,7.14209844444445,7.0589676250000055,7.010590364444453,6.995976106666676,6.965409804651176,6.9308384615384835,6.957291762962986,1.251662560556719,1.7080253612903211,1.3770355218375183,1.166277572452817,1.0544604560284943,1.0127842410035874,0.9348834086739577,0.8748730965104411,0.937931631627641,164.90799276819607,143.78028616929038,152.86675280890697,158.94473786911786,162.5641922577002,163.5974952965312,165.82920433404135,168.56713973715352,166.60255217270716,1.4818989071038253,1.803987455197132,1.5597442680776021,1.4698350694444458,1.4103703703703716,1.4107407407407413,1.371511627906977,1.308379120879121,1.3388888888888886,0.08134190108649095,-0.005169409312758023,-0.01463325649332487,-0.0163402523178779,-0.0017268469454417507,-0.008326579072702331,-0.017036603629794506,0.012079891237765135,0.0080811063336429,1667.1384845901653,52.05740779360887,-182.75403723541513,-365.05257215264095,-175.36839250469922,-326.2047315866667,-358.5453961784446,305.18655319000095,176.6047559398004,3100.1152014581535,96.8029727231134,-339.83893611614286,-678.8308462209396,-326.10501436103715,-606.591627826295,-666.730474630532,567.507427589341,328.4040849632127,0.3265809836065568,0.010197688793321284,-0.03580026122011719,-0.07151129266327291,-0.03435346412255092,-0.06390126740123683,-0.07023658156409096,0.059783950550936625,0.03459565923139367,13.858957365133762,0.432754328341446,-1.5192381639335417,-3.0346897274941522,-1.4578411436001548,-2.7117468099694158,-2.9805954364515372,2.5370222499015007,1.4681190588982318,75.28207636552712,2.350728379874427,-8.252525818603683,-16.484482763881154,-7.919016229707352,-14.73025171039767,-16.190641716395053,13.781145127023816,7.974846028729593,4.821038251366128,-1.3431499895488073,0.1945676192182529,-1.0750302338081101,0.19835617665502478,-0.21182141897338652,-1.3480583176565313,0.42910171996775465,0.299751410911043,0.0013334737883031302,-8.337756956061328E-5,-1.1613695629622912E-4,-8.510548082228073E-5,-7.674875313074448E-6,-3.700701810089925E-5,-7.924001688276514E-5,6.637302877892931E-5,5.986004691587334E-5,27.330139091642053,0.8396356095743366,-1.4504288669477392,-1.9013154799616716,-0.7794150777986631,-1.449798807051852,-1.6676530054811376,1.6768491933516536,1.308183377331855,50.82156067964186,1.5613382697276355,-2.6971344136201814,-3.535577324067394,-1.4493556193823873,-2.695962790339089,-3.10107197502573,3.118172679062313,2.4326228515793535,0.005353786616500931,1.64478851505182E-4,-2.841290573025174E-4,-3.7245464928787974E-4,-1.52682062766893E-4,-2.840056328943859E-4,-3.2668177471670214E-4,3.284832447853661E-4,2.562641424547679E-4,0.227196022379242,0.0069799085216362255,-0.012057445745504299,-0.015805675664032043,-0.006479293971556244,-0.012052208044308515,-0.013863234588146684,0.013939682691766488,0.010874955991838754,1.2341323994348707,0.037914973868942374,-0.06549623665558478,-0.085856681061881,-0.03519562768758823,-0.0654677853795452,-0.0753053103088142,0.07572057762100998,0.05907293354614514,0.07903341395682176,-0.02166370950885173,0.0015441874541131185,-0.005599115801083907,8.815830073556657E-4,-9.414285287706067E-4,-0.006270038686774564,0.002357701758064586,0.0022203808215632815,-0.06252659054267033,-0.08709354268149172,-0.06382238748808029,-0.0057555501880849624,-0.02775234011010547,-0.05942375289101072,0.049774528274297916,0.04489030638693419,0.0307219662058401,-0.053070672713528236,-0.06956845238095115,-0.028518518518517874,-0.05304761904761843,-0.06101882613510481,0.06135531135531096,0.0478659611992943,0.030721966205832743,-0.053070672713532024,-0.0695684523809533,-0.028518518518518682,-0.05304761904761889,-0.0610188261351045,0.061355311355312095,0.047865961199294996,0.03072196620579553,-0.053070672713552286,-0.06956845238096257,-0.028518518518521243,-0.05304761904761964,-0.06101882613510122,0.06135531135532117,0.047865961199300505,0.03072196620583949,-0.05307067271352872,-0.06956845238095218,-0.028518518518518884,-0.053047619047619725,-0.061018826135106286,0.06135531135531051,0.04786596119929411,0.030721966205817346,-0.05307067271354076,-0.06956845238095699,-0.02851851851851947,-0.05304761904761917,-0.06101882613510327,0.06135531135531622,0.04786596119929725,-0.2741082337742267,0.019538412638441163,-0.07084491888636958,0.011154560624665664,-0.011911778596391349,-0.07933402307788535,0.029831708387956856,0.028094203583010343,1.5049879894729057,1.2229678733478353,1.0906980010123328,0.9786022718466648,1.0152809801569276,1.0129960919330372,0.8362989034446701,0.8837999849980368,1.4055299539170507,1.2794784580498866,1.1573660714285714,1.036031746031746,1.036031746031746,0.9930232558139535,0.8139717425431711,0.8714285714285714,1.4055299539170474,1.2794784580498832,1.1573660714285683,1.0360317460317434,1.0360317460317434,0.9930232558139508,0.8139717425431691,0.8714285714285692,1.405529953917051,1.2794784580498895,1.157366071428573,1.0360317460317472,1.0360317460317472,0.9930232558139551,0.8139717425431727,0.8714285714285724,1.405529953917051,1.2794784580498866,1.1573660714285727,1.0360317460317474,1.0360317460317474,0.9930232558139546,0.8139717425431707,0.8714285714285709,1.4055299539170503,1.2794784580498855,1.1573660714285714,1.0360317460317465,1.0360317460317465,0.9930232558139531,0.8139717425431705,0.8714285714285711,1.7954460278430309,0.9232571842376309,1.0940636216586372,0.9432039293473122,1.044419256320644,1.0944038432390741,0.8269900261257573,0.8268159063001781,207.63880440728357,103.8194022036417,157.55021471432707,207.6388044072835,9.887562114632548,103.8194022036417,-1.7053025658242404E-13,0.41604299143083,0.019811571020515714,-1.8416300264773515,205.96033432058184,9.807634967646754,11.188135556655245,207.63880440728357,103.8194022036417,157.55021471432707,207.6388044072835,9.887562114632548,103.8194022036417,-1.7053025658242404E-13,0.41604299143083,0.019811571020515714,-1.8416300264773515,205.96033432058184,9.807634967646754,11.188135556655245,207.63880440728357,103.8194022036417,157.55021471432707,207.6388044072835,9.887562114632548,103.8194022036417,-1.7053025658242404E-13,0.41604299143083,0.019811571020515714,-1.8416300264773515,205.96033432058184,9.807634967646754,11.188135556655245,207.63880440728357,103.8194022036417,157.55021471432707,207.6388044072835,9.887562114632548,103.8194022036417,-1.7053025658242404E-13,0.41604299143083,0.019811571020515714,-1.8416300264773515,205.96033432058184,9.807634967646754,11.188135556655245,207.63880440728357,103.8194022036417,157.55021471432707,207.6388044072835,9.887562114632548,103.8194022036417,-1.7053025658242404E-13,0.41604299143083,0.019811571020515714,-1.8416300264773515,205.96033432058184,9.807634967646754,11.188135556655245,207.63880440728357,103.8194022036417,157.55021471432707,207.6388044072835,9.887562114632548,103.8194022036417,-1.7053025658242404E-13,0.41604299143083,0.019811571020515714,-1.8416300264773515,205.96033432058184,9.807634967646754,11.188135556655245,238.06870931418035,118.3932472292953,180.51084947393804,237.83954264751358,11.325692507024456,118.3932472292953,-0.3208333333334963,0.30148771539349395,0.014356557875880664,-2.517954618077916,188.76312512546127,8.988720244069585,11.005035137880167,0,11.900000000000002,12.100460824883259,-0.14256264005830788,0.058404579304416476,5.142225490874415,11.663478067652726,22.0,62.0,62.0,62.0,22.0,0.0,0.0,0.0,0.0,0.0,43.72827999999999,3.809182858309805,3.5375947679270445,3.421542642966019,3.2259095598287506,3.126719739856617,2.8563123199431875,2.7410867594063912,2.6401219499099438,2.0932670931650073,1.9286174363861806,1.8401557615047006,1.710044333054055,1.644526197101915,1.4305134142250164,1.3926390194096483,1.2496297225843542,3.8275336163811624,3.56331597934555,3.4498537105918317,3.2589077801801567,3.1619112520994594,2.8940113850875084,2.787718642236123,2.678925743342932,2.0498054171026125,1.8704969455025169,1.7788927141129238,1.6403740049160662,1.570090218726692,1.3452194999714704,1.3053308774832513,1.1448839181092234,3.909370799191822,3.677805869572139,3.5740586309078193,3.403808016810847,3.3168317467985684,3.062299457706158,2.9904380696634343,2.8531508207586413,1.925965390913941,1.7008924225962183,1.5988161663913303,1.4326281293138383,1.347690226546685,1.0962314836182,1.0300939091787031,0.888368003803694,3.841108575793275,3.5823461367868976,3.470692420312657,3.28321889461646,3.1878643909006805,2.921949235061884,2.822009981721904,2.707750712227666,2.0225031881324633,1.833584075065197,1.7398994410739257,1.5957373761660323,1.5223432972900701,1.2910255501923913,1.2480185840999387,1.0895559079067916,3.9500223003932495,3.734236832051819,3.6344439023337456,3.474018954130122,3.39201786576286,3.14521074813862,3.0865160722842973,2.9391707446996755,1.8884397803964497,1.6486043464331788,1.5426221891782366,1.3671624050017115,1.2776087494612978,1.019361150891462,0.9396336517105782,0.8085974334198719,3.8187542661887455,3.613204971276704,3.528783172481824,3.333259502331057,3.2719046942964733,2.975165871276811,2.931353888818049,2.7391298546778984,2.0302328288894915,1.7820004656480073,1.6709834382543844,1.5240774637902093,1.4165703021183997,1.2077334402377535,1.103059492945276,1.0317181127582498,0,0,0,0,0,3,14,3,1,0.0,0.0,0.0,0.15137471507731048,0.23728382326827402,0.0,0.0,0.0,0.15137471507731048,0.23728382326827402,1.4710773760043288,0.20412414523193154,0.4006717010408706,0.08333333333333333,1.4710773760043288,0.20412414523193154,0.4006717010408706,0.08333333333333333,2.8903069802851715,4.7320667686888545,6.623562664227379,2.8903069802851715,4.7320667686888545,6.623562664227379,15.131545744180547,10.148995134896753,8.752136196934412,6.753178212028568,5.4551100200840015,4.317212274281374,2.649415999493042,1.8802492885984583,0.7205497973419308,0.4613179606771251,0.30179779989429006,0.18758828366746022,0.12122466711297782,0.07994837544965508,0.05298831998986084,0.035476401671669024,15.131545744180547,10.148995134896753,8.752136196934412,6.753178212028568,5.4551100200840015,4.317212274281374,2.649415999493042,1.8802492885984583,0.7205497973419308,0.4613179606771251,0.30179779989429006,0.18758828366746022,0.12122466711297782,0.07994837544965508,0.05298831998986084,0.035476401671669024,31.836556075717425,58.75673707210497,55.50980392156855,56.20000000000006,36.97108982035934,467.3077964071857,0.5219107553396299,0.9632251979033601,0.9099967855994844,0.921311475409837,0.6060834396780219,7.660783547658783,7.369700000000008,94.56300000000009,180.0696300986433,259.7024412307545,360.13926019728666,17.14948858082317,180.0696300986433,0.3467799119614182,0.016513329141019915,-2.2240364154541945,136.2282693323431,6.487060444397291,10.320097052337498,443,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,14.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.000000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.508103701988463,0.0,20.92066161786384,0.0,0.0,0.0,3.2186226005936494,0.0,0.0,0.0,0.0,0.0,0.6026120795540437,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.312279659408468,0.0,1.371662261291365,0.0,0.0,0.0,1.0344368596203912,0.0,0.0,0.0,0.0,0.0,0.6026120795540437,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.5979120212899973,0.0,1.5508564814814816,0.0,0.0,0.0,1.09845296767059,0.0,0.0,0.0,0.0,0.0,0.6026120795540437,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,32.25,1.5357142857142858,0.2,2.5979120212899973,-0.0,0.6026120795540437,14.842814263812427,0.6473879204459563,0.5979120212899974,3.496495316752352,0.6473879204459563,0.5979120212899974,3.496495316752352,10.5,0.5,0.0,0.0,0.4377,0.7,0.4377,0.4377,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.14286,0.14286,0.04762,11.0,0.52381,11.0,0.52381,0.0,0.0,-11.0,-0.52381,0.0,0.0,33.71775,1.60561,33.71775,0.0,0.0,10.14898,0.48328,10.14898,0.0,0.0,0.26502,0.01262,0.43702,0.02081,0.16393442622950818,64.0,0,0,0,0,0,0,1.0,0.9288391461883215,1.4112313095525932,2.6210627419439163,3.8032875423035852,4.485836263998665,4.501864231682062,56.659187917487614,86.08510988270818,159.8848272585789,232.0005400805187,273.6360121039185,274.6137181326058,0.1566144466229234,0.23795208407130528,0.44194551077876393,0.6412840977149845,0.7563707526865497,0.7590732779833426,5.001898191374565,4.519506028010293,3.3096745956189704,2.1274497952593014,1.444901073564222,1.4288731058808244,0.15599740044982996,0.23701457526530528,0.440204287079277,0.638757498752416,0.7533907231397945,0.7560826007413841,6.757782726309083,12.546488686680341,18.957831718274882,23.120839242809307,24.529527288650584,23.60051355597166,82.7008833245842,65.18230516916942,49.40413398070196,34.269169858258664,28.097100980283308,30.172573373377656,17.355371900826448,8.585017835909632,5.0,11,0,10,3.77,2.8503000000000003,0.5503212081491045,8.35242161028682,2.063861478973745,1.5000000000000004,21.25176664353446,12.36993132488598,4.1026749120897765,2.381101577952299,1.6509636244473134,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.16199999999999998,0.17099999999999999,0.23100000000000004,0.39,9.869,29.0,36.0,45.0,54.0,50.0,53.0,51.0,49.0,37.0,447.0,3.1354942159291497,3.4011973816621555,3.6109179126442243,3.828641396489095,4.007333185232471,3.9318256327243257,3.9889840465642745,3.9512437185814275,3.912023005428146,3.6375861597263857,6.104793232414985,1.0,0.46153846153846156,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,3.0,0.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.36363636363636365,11.0,0.5,1,7.0,13.0,0.8571428571428571,3.5,2.4444444444444438,1.5625,1.0533333333333337,0.5138888888888888,0.2824489795918368,0.14930555555555558,0.1148904006046863,0.051250000000000004,0.04122028364452607,0.1590909090909091,0.08429118773946358,0.052083333333333336,0.03761904761904763,0.021412037037037035,0.01661464585834334,0.010664682539682542,0.008837723123437408,0.004270833333333334,0.004580031516058452,0.41686166682214704,103.8194022036417,157.55021471432707,207.6388044072835,9.887562114632548,103.8194022036417,0.41604299143083,0.019811571020515714,-1.8416300264773515,205.96033432058184,9.807634967646754,11.188135556655245,0.0,347.059218442402,5.392317422778761,4.634728988229636,5.4510384535657,6.315358001522335,7.164720378771857,8.044626279767337,8.91018077801329,9.798071479779479,10.672877924046807,11.565147827640155,115.5567501113366,3.8066624897703196,0.0,5.081404364984463,0.0,6.57507584059962,0.0,8.182279739259018,0.0,9.854559878912704,10.067390523806065,292.313001280001,4.792016414426246,42.13569978919646,2.006461894723641,0.0,0.0,0.0,1042.0,30.0,11.402000000000006,102.0,1.2595449170587854,2.1777358339499635,2.927414909832074,3.611356783198766,4.541477502781355,5.38152051573123,6.282973298106702,7.261445415352991,8.233326563363244,9.290430247127816,86.80986436531008,98.08417050657333,96.66997869860093,103.39185993793981,111.9675161870557,106.31079257118488,115.25509614060762,157.58040271186502,192.99958515088775,187.24854659755715,311.71439467613294,398.2301598562262,429.1554994989517,481.30156758676276,555.4535071732485,580.8669867471023,624.588759393338,797.2955725704277,962.8491772659341,1020.9856559547308,9.193960604961742,15.608858605860734,20.718621371969466,25.43879337399713,31.884849412335132,37.59922724435187,43.66204150420844,50.6561214897737,57.64161388799896,64.98154556568386,2.3097313463013758,3.158465212595078,3.580466095269406,4.114728577154115,4.8758307560499645,5.299590638593362,5.774193580578255,7.15157416620783,8.522486256481207,9.28318203276208,178.60852690315127,329.01237113223743,461.56395006974844,578.2253808655274,734.6551853214286,883.8545645835248,1050.5159798163531,1199.7900225962535,1344.520067917033,1520.233470674585,2.3267322241457484,3.4833652349316715,4.387267542303617,5.267905443335299,6.58241481235165,7.568054701637034,8.404382114304546,9.937742080057319,11.686312609032171,13.325212369935997,0.4769182093939537,0.6609073139880826,0.7566896535386349,0.8736036531167911,1.0399453060029828,1.1378619290969234,1.2439103389541508,1.5324977471169985,1.8211323235012673,1.991643893887542,578.4915622350852,605.9525065479536,14.917734825234568,40.06558195924097,-41.96749166176879,-2.315898723959077,538.4259802758443,647.9199982097224,17.233633549193645,0.9352273555720926,0.9796225170710943,0.024116987355574066,0.06477264442790746,-0.06784739624409587,-0.0037440335879970264,357.83008867664864,374.8162519676959,9.22747145134534,24.782851957191813,-25.9592917913029,-1.4325157009354106,0.029470484635628732,0.062318046837767926,0.15972713348715245,0.5977446530620993,618.5571441943262,0.0,1.0,0.0,1363.3446628191598,36.92349743482001,11.088391572714636,1750.8261060906664,41.84287401805314,12.052607244675977,2957.5833160061106,54.38366773219797,14.354200093880088,1.2151305587537427,1.0826726948567493,5308.732176975704,4760.330368856369,920.5470928565828,1.115202468237742,5.7669316628897125,5.171197004255824,7.8338422012413345,7.780084263304484,14.829106138979093,0.9060341298515233,11.847466405875723,18.342617578970753,11.58901518922002,80.84709070966363,30.001853882469856,31.082740634540265,43.866779621217376,40.25210010186702,49.69770156057036,25.587097858090313,28.265640953810063,41.47688857858397,23.706853857848298,27.698309867096434,13.004103351443012,21.828743869433826,19.80329598090887,14.470513214503718,17.498182995387356,17.495227062721654,20.03126352451249,8.057848861609735,9.763649111869718,10.491443221665568,6.34792192804697,1.048703109771342,2.508172417835535,2.3539599166255187,0.0773106058986709,2.9579165714331495E-20,0.9411175664781757,18.25696055263516,0.77228774224153,29.19829429285513,4.385944515201108,4.918510326929449,5.190189745641405,3.4409917851272342,10.549305514693513,2.1539133777169224,3.171062335151946,3.9085091072347455,2.5685929202462745,5.247695075170415,0.6388514398753203,2.990018307501412,3.2830455471056914,2.017151142757218,3.9811699511941234,2.812111237671128,3.2088232513566552,0.2784180667749191,2.867619480934406,1.6374093576682751,0.3010798602416202,0.17632778976497782,0.14981625590828807,0.016605831481240348,5.445049186680808E-4,2.0832848267495782E-22,3.073069617176262,18.26269404574671,2.625019887605841,34.675764389032345,6.539057707407361,8.966518178987176,11.025556340904304,9.006495927682858,15.889853364873435,4.952745273625373,6.2330774683256855,9.555760296451341,5.503333006023724,8.557204431432137,2.1708453773501715,5.412729233351576,5.429828130063662,3.461810841935422,5.912203445168271,4.601760478727625,5.938020450969606,1.1597209400237407,3.580598817990938,2.784069592069332,1.0814880142871568,0.24370413222847886,0.5236071224580678,0.17283593544442294,0.005674161068020373,2.1709434115774815E-21,11.146439263964325,18.333216626677302,10.801167534347956,75.89330599054743,27.3456067099624,29.02368160624072,40.77049670718038,37.30926119817427,46.36341476443198,23.450526961389894,26.000494677654373,38.46192589384235,21.92457590402999,25.873504646037855,11.896168526016552,20.172155447447977,18.358448882160676,13.31992583312911,16.37773491629655,16.16916807282356,18.75213403913549,7.3316101594988226,9.09573590516066,9.715694183648141,5.81717044699815,0.9561370266461278,2.3257302616463185,2.097354290158214,0.06888235799093964,2.63545041217034E-20,4.564577468428908,18.270119004014536,4.002326437700664,39.939823886387124,8.930323603333077,12.129168955516134,15.642816201607863,13.405568605900143,20.342952753129627,7.463259315030938,8.946807518771628,14.032573941912519,7.927699433660401,11.207100399136127,3.517061746931647,7.498265867693649,7.267359662772565,4.7793465049693795,7.483670616182957,6.188826680537957,8.020745478546278,1.9745252038044518,4.276291952461387,3.7673726481931347,1.7519804779258796,0.32282323653594125,0.8121514730706566,0.3753570463987239,0.01232503605874872,4.715579185793277E-21,14.480918845280884,18.38214513798237,14.648732655843492,101.22327370852794,41.07215148436974,39.22574331444028,56.15811246992456,51.930744130428906,63.10769599266059,34.29493572237078,37.48003992476312,53.4518278006597,30.860151297759483,34.96613157049233,17.50475670242383,28.533798993502934,25.6451088916108,19.171394027753966,21.97931635252322,22.890045137542305,25.050333613672002,11.030625950324104,12.515654049401162,13.62905451705142,8.495368835624399,1.4358967665851714,3.2268938729164285,3.4329422237801595,0.11275025293086985,4.3138433297834555E-20,7.8616584684605995,16.868812800095355,6.635746702028905,53.33549435894612,15.543297130816004,19.281601073729515,25.290010458923703,23.263733785503103,30.944805238154434,14.314295564654685,15.608731289009343,24.413439967077895,14.023155683878233,17.69108464803264,6.72569833113219,12.214703724261174,12.421694830403455,7.987355067420091,12.002375956335463,10.534669129000733,12.51201424460926,4.2336170804368445,6.695284311538186,6.448600017402131,3.3294598611383117,0.604060153360805,1.5557152445736913,0.9982568125308113,0.03278070039186478,1.2541950200127576E-20,17.137852045911192,3.1736872777869634,1.1817685195695522,0.7973575854811588,0.14765932265661236,0.4331393316549542,0.4007172337736849,0.39213104310684227,21.493307843267708,78.39372076344914,164.16363465766602,0.6960363782217383,1.2259876085354815,15.698810158428053,2.512830246128781,0.6364656127528106,0.832911813208746,0.13332003989265861,0.36387381904538585,0.2525401135418463,0.11241514834658317,18.848106017309647,51.039527863651884,94.99521259642444,0.7493677198131191,0.7288290809338154,16.261467524490065,2.771384221714978,0.8498029575528739,0.8178720481132014,0.1393870317121774,0.39023373659035404,0.30653899952203706,0.20139182880396547,19.882654703757918,61.240948223892715,119.42148120152223,0.7268080721698021,0.8981645649163565,17.10131657872173,3.1569253539821345,1.1679366589403957,0.7981505664006212,0.14733963597284988,0.43130566435931994,0.39654739540837525,0.3829036125448489,21.42617859164426,77.64792329273001,162.12817556986536,0.6972258496009318,1.210756672312544,16.515998721967463,2.888277094425691,0.9462560089783971,0.8115757791340139,0.14192636925708244,0.4024629601996586,0.3326317550462365,0.25022179350266854,20.35053182537155,66.06419339135881,131.55376819392032,0.7173636687010209,0.9853165087485636,17.252541319475498,3.226299735648618,1.2251844112950092,0.7949005287599277,0.1486498318314457,0.438920870417957,0.41394406593709765,0.42182051737225773,21.704025466419125,80.75222632041697,170.65230659967898,0.6923507931398916,1.2746854537273125,17.135440106613267,3.1652318736042138,1.1732739661087956,0.7979642004055975,0.1473987073226156,0.43299324001946426,0.3984814740954371,0.38678135468573077,21.473945946326275,78.05589112259176,163.1654494646225,0.6969463006083961,1.218256068800632 +UMLCN0227,L,"1,2,4-trimethylcyclohexane",CC1CCC(C(C1)C)C,Naphthenes,,C9H18,Marquardt (2015),IQT,PubChem,,24.4,0,0.973799999999998,0.9482864399999961,39.3749,27.84227399999997,0,0,27,9,18,0,9,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1316.666240999998,1516.3046729999994,2106.5748599999984,2021.9206659999966,1141.3520199999953,421.03773700000113,93.979872,9.144576,0.0,4371.159515500713,5876.9112104133,8897.306245278683,10196.89574801763,7964.343121459603,4033.364856611985,1341.1783312726463,279.75369987837234,0.0,188.79699600000006,195.9820200000001,384.63672,550.6224400000004,625.1141920000007,451.8248679999997,183.79353600000007,60.46617599999999,0.0,33.10313228728198,45.143897580000015,72.20848415818796,88.89352216667787,78.15636023850693,44.39843551305405,16.018136861829007,4.001516143641,0.0,4469.666941246483,3897.355063642201,8334.22052875799,12379.769100226882,15042.90601305741,11542.334755750557,4802.005978786629,1664.258868218241,0.0,42.083333333333336,51.02777777777778,84.69444444444447,120.69444444444446,126.16666666666667,82.5,33.0,9.0,0.0,48.76541633333326,56.159432333333314,39.01064555555553,25.922059820512775,12.681689111111059,6.379359651515169,3.480736,1.016064,0.0,161.89479687039676,217.66337816345555,164.76493046812377,130.7294326668927,88.49270134955114,61.11158873654523,49.67327152861653,31.08374443093026,0.0,6.992481333333336,7.258593333333336,7.122902222222223,7.059262051282057,6.945713244444452,6.8458313333333285,6.8071680000000026,6.718463999999999,0.0,1.2260419365659994,1.6719962066666672,1.3371941510775547,1.1396605405984341,0.868404002650077,0.6727035683796068,0.5932643282158891,0.444612904849,0.0,165.54322004616603,144.34648383860005,154.33741719922205,158.7149884644472,167.14340014508235,174.8838599356145,177.85207328839368,184.917652024249,0.0,1.558641975308642,1.889917695473251,1.5684156378600829,1.5473646723646726,1.401851851851852,1.25,1.2222222222222223,1.0,0.0,0.03577473554994963,-0.004474706807140481,-3.523203218018013E-4,-0.014854911759309263,-0.015121249623682336,0.008060806010876682,0.004024937981506541,0.004830076744575815,0.0,726.3960540000007,6.892264536872972E-13,6.927791673660977E-13,-403.5533633333319,-363.1980269999981,161.4213453333322,121.06600899999947,121.06600899999974,0.0,1350.7644806353373,-6.394884621840902E-13,-6.750155989720952E-13,-750.4247114640751,-675.382240317665,300.1698845856304,225.12741343922286,225.1274134392228,0.0,0.14229599999999987,2.048708425128609E-15,2.0322285521068295E-15,-0.07905333333333162,-0.07114800000000088,0.031621333333330705,0.02371599999999861,0.02371599999999929,0.0,6.038545709094,1.6819878823071122E-14,1.6653345369377348E-14,-3.354747616163319,-3.0192728545470064,1.3418990464653118,1.0064242848489884,1.0064242848489942,0.0,32.80147613069398,-1.9806378759312793E-13,-1.971756091734278E-13,-18.223042294830094,-16.400738065346815,7.28921691793226,5.46691268844913,5.466912688449062,0.0,2.9629629629629615,-1.333333333333334,0.43518518518518523,-0.411522633744856,-1.0246913580246964,0.581275720164609,-0.10185185185185143,0.37345679012345695,0.0,0.00132499020555369,-1.6572988174594374E-4,-6.524450403737061E-6,-1.9044758665781106E-4,-1.680138847075815E-4,1.2213342440722244E-4,1.4907177709283485E-4,5.366751938417572E-4,0.0,26.903557555555583,2.5526905692122118E-14,1.282924384011292E-14,-5.17376106837605,-4.035533633333312,2.4457779595959424,4.483926259259239,13.451778777777749,0.0,50.02831409760509,-2.3684757858670007E-14,-1.2500288869853615E-14,-9.62082963415481,-7.504247114640723,4.5480285543277335,8.338052349600847,25.014157048802534,0.0,0.005270222222222217,7.587808981957812E-17,3.7633862076052396E-17,-0.0010135042735042515,-7.905333333333431E-4,4.791111111110713E-4,8.783703703703189E-4,0.002635111111111032,0.0,0.22364984107755553,6.2295847492856E-16,3.0839528461809903E-16,-0.04300958482260665,-0.03354747616163341,0.020331803734322907,0.0372749735129255,0.11182492053877713,0.0,1.214869486321999,-7.335695836782516E-15,-3.651400169878292E-15,-0.23362874736961659,-0.18223042294829794,0.11044268057473121,0.20247824772033815,0.6074347431610069,0.0,0.1097393689986282,-0.04938271604938274,0.008058984910836764,-0.0052759312018571276,-0.011385459533607737,0.008807207881281955,-0.0037722908093278306,0.04149519890260633,0.0,-0.1250800806310022,-0.004924149911742636,-0.14373509016108266,-0.1268038691934115,0.09217685073844378,0.11250783324133357,0.405040876221036,0.0,9.488301180767378E-16,4.768604974870203E-16,-0.19230769230769146,-0.14999999999999905,0.09090909090909018,0.16666666666666574,0.4999999999999984,0.0,-4.734270639714365E-16,-2.4986428376270263E-16,-0.19230769230769199,-0.1499999999999992,0.09090909090909087,0.16666666666666663,0.4999999999999998,0.0,1.4397512404625647E-14,7.140849187984312E-15,-0.19230769230768832,-0.150000000000002,0.09090909090908345,0.16666666666665705,0.4999999999999855,0.0,2.7854188132981297E-15,1.3789202046030344E-15,-0.1923076923076915,-0.15000000000000036,0.09090909090908947,0.16666666666666477,0.49999999999999717,0.0,-6.038258363860332E-15,-3.0055904860470708E-15,-0.19230769230769343,-0.1499999999999984,0.09090909090909421,0.16666666666667077,0.500000000000006,0.0,-0.45000000000000046,0.07343750000000004,-0.0480769230769231,-0.10375000000000056,0.08025568181818185,-0.03437499999999988,0.3781250000000004,0.0,1.5707193448906986,1.082116932676426,1.228948010628427,1.0580062543103763,0.6525507681757126,0.5929409169831297,1.6481262731116255E-8,0.0,1.4444444444444438,1.2037037037037033,1.2777777777777777,1.035185185185185,0.6237373737373735,0.481481481481481,0.0,0.0,1.4444444444444426,1.2037037037037017,1.2777777777777757,1.0351851851851837,0.6237373737373729,0.481481481481481,0.0,0.0,1.4444444444444438,1.203703703703703,1.2777777777777775,1.0351851851851845,0.6237373737373735,0.4814814814814814,0.0,0.0,1.4444444444444449,1.2037037037037042,1.2777777777777768,1.0351851851851845,0.6237373737373739,0.48148148148148157,0.0,0.0,1.4444444444444442,1.2037037037037033,1.2777777777777766,1.0351851851851843,0.6237373737373737,0.4814814814814813,0.0,0.0,1.9951388888888897,0.7402777777777778,1.0515625000000004,1.0968750000000003,0.7589488636363638,0.9750000000000005,0.0,0.0,38.33189522114242,19.16594761057121,27.34372994522389,38.33189522114242,4.259099469015824,19.165947630223926,-3.552713678800501E-15,0.023258624935954098,0.0025842916595504553,-3.3849713256767977,39.754396925696035,4.417155213966226,3.3144484045193363,38.33189522114242,19.16594761057121,27.34372994522389,38.33189522114242,4.259099469015824,19.165947630223926,-3.552713678800501E-15,0.023258624935954098,0.0025842916595504553,-3.3849713256767977,39.754396925696035,4.417155213966226,3.3144484045193363,38.33189522114242,19.16594761057121,27.34372994522389,38.33189522114242,4.259099469015824,19.165947630223926,-3.552713678800501E-15,0.023258624935954098,0.0025842916595504553,-3.3849713256767977,39.754396925696035,4.417155213966226,3.3144484045193363,38.33189522114242,19.16594761057121,27.34372994522389,38.33189522114242,4.259099469015824,19.165947630223926,-3.552713678800501E-15,0.023258624935954098,0.0025842916595504553,-3.3849713256767977,39.754396925696035,4.417155213966226,3.3144484045193363,38.33189522114242,19.16594761057121,27.34372994522389,38.33189522114242,4.259099469015824,19.165947630223926,-3.552713678800501E-15,0.023258624935954098,0.0025842916595504553,-3.3849713256767977,39.754396925696035,4.417155213966226,3.3144484045193363,38.33189522114242,19.16594761057121,27.34372994522389,38.33189522114242,4.259099469015824,19.165947630223926,-3.552713678800501E-15,0.023258624935954098,0.0025842916595504553,-3.3849713256767977,39.754396925696035,4.417155213966226,3.3144484045193363,46.001902600585936,22.869006855848518,32.68306569248019,45.79665568700568,5.088517298556187,22.869006856275202,-0.2638888888889035,0.01193126507529313,0.0013256961194770143,-3.985733706279938,39.52764967935909,4.391961075484343,3.309300377018583,0,11.890000000000006,12.110134441590954,-0.1618839467782916,0.05929298924644874,6.076143105552766,8.759332881345742,9.0,27.0,27.0,27.0,9.0,0.0,0.0,0.0,0.0,0.0,19.677725999999996,3.6923430935446264,3.1111533773746665,2.910586583991231,2.4919661205948054,2.2281623116969613,1.8883590150969893,1.2931977691953949,1.0169998308918733,2.025554051299031,1.6243987724724476,1.5075974889568404,1.297318072519018,1.1222962083727024,0.8732036223581747,0.5408398623538291,0.3771955589217284,3.7143673308073986,3.1447796755752213,2.950975494269877,2.552323955809299,2.297474018336953,1.9657172269045802,1.397136819291776,1.1324510155023404,1.975683878800357,1.5487679310176121,1.4222284248407682,1.1922891029289036,1.0091316307216363,0.7500635918637438,0.39394464831145204,0.2199764962488118,3.81178790375078,3.295407213063811,3.129789258902654,2.808696800369319,2.5875860617595654,2.28776074286737,1.8197927651938177,1.5982410944929233,1.831374797120172,1.3258629839263258,1.165496807535069,0.8577841434763943,0.6423335632861673,0.34816967267309573,0.10300086314579167,0.31742295848326807,3.7306191173093355,3.169726474175802,2.9808348720914126,2.5963742619335775,2.3478216192528674,2.0218236842556356,1.4720192261845029,1.2154441326999446,1.9441518576824444,1.5004840158978916,1.3672856521909926,1.1231968531754732,0.9342042214191375,0.6683324483862119,0.2951304437904049,0.1138245191832456,3.8596657419827967,3.36984059293372,3.21678599440548,2.9271218129094745,2.7192430760791693,2.432834875271829,2.0040696135414677,1.7991435687540702,1.7870003398754646,1.2568989420871264,1.0844208767109087,0.7453332827908655,0.5165398542086731,0.20919049566167805,0.2816377880319969,0.51291893274622,3.706994018999608,3.242200095827333,3.0648431463197854,2.752095717652782,2.485409432546063,2.1247320936836087,1.5738230682490217,1.3253335593165845,1.9544566936712435,1.4159741670262465,1.2759339935748792,0.9443975981270257,0.7685099687952178,0.5317197649451324,0.15456612318821897,0.03657063097044589,0,0,0,0,0,3,3,3,0,0.0,0.0,0.0,0.06804138174397717,0.2041241452319315,0.0,0.0,0.0,0.06804138174397717,0.2041241452319315,0.7600796553858447,0.0,0.16666666666666666,0.0,0.7600796553858447,0.0,0.16666666666666666,0.0,1.4782780961775843,1.5580286054249617,2.075933093928455,1.4782780961775843,1.5580286054249617,2.075933093928455,6.8533711511285205,4.198377302757663,3.8727920134931058,2.860366219491575,1.8167629792261777,1.3316001604737504,0.5044733353288007,0.06804138174397717,0.7614856834587245,0.46648636697307366,0.32273266779109216,0.22002817073012115,0.13975099840201366,0.09511429717669646,0.07206761933268581,0.06804138174397717,6.8533711511285205,4.198377302757663,3.8727920134931058,2.860366219491575,1.8167629792261777,1.3316001604737504,0.5044733353288007,0.06804138174397717,0.7614856834587245,0.46648636697307366,0.32273266779109216,0.22002817073012115,0.13975099840201366,0.09511429717669646,0.07206761933268581,0.06804138174397717,13.876450234072873,25.99053168244719,24.52941176470589,24.839999999999996,16.18699041916167,207.25429580838326,0.5139426012619582,0.9626122845350812,0.9084967320261441,0.9199999999999998,0.5995181636726544,7.676085029940121,3.0786000000000016,41.343,36.24670712996473,48.2369627562875,72.49341425992948,8.05482380665883,36.24670712996473,0.034470015398091136,0.003830001710899015,-3.030898906569184,80.37277836644766,8.930308707383073,3.9480079871905756,67,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,3.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7999999999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.152037037037037,0.0,4.383935185185185,0.0,0.0,0.0,2.9640277777777775,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.377361111111111,0.0,1.4594907407407407,0.0,0.0,0.0,0.980324074074074,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3892129629629633,0.0,1.4637962962962963,0.0,0.0,0.0,0.9964814814814813,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.5,1.6111111111111112,0.2,2.3892129629629633,0.2,0.980324074074074,6.462448564814814,0.3530092592592593,0.38921296296296304,2.3040740740740744,0.3530092592592593,0.38921296296296304,2.3040740740740744,4.5,0.5,0.0,0.0,0.43333,0.7,0.43333,0.43333,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.33333,0.33333,0.0,4.5,0.5,4.5,0.5,0.0,0.0,-4.5,-0.5,0.0,0.0,10.41343,1.15705,10.41343,0.0,0.0,4.19836,0.46648,4.19836,0.0,0.0,0.21564,0.02396,0.30164,0.03352,0.2222222222222222,9.0,0,0,0,0,0,0,1.0,0.9182958340544896,1.4466166676282084,2.6234476865473693,3.0036203719729397,3.2765116887970382,3.3558342610220855,24.79398751947122,39.058650025961626,70.83308753677898,81.09775004326937,88.46581559752003,90.60752504759631,0.193126721428565,0.3042378325396761,0.5517370674603138,0.6316911537036987,0.6890829041289049,0.7057652277777727,3.8365916681089796,3.3082708345352607,2.1314398156161,1.7512671301905294,1.4783758133664309,1.3990532411413836,0.193126721428565,0.3042378325396761,0.5517370674603138,0.6316911537036987,0.6890829041289049,0.7057652277777727,6.732876570223358,13.072726573107982,16.501892661367098,17.699275393036466,17.974302093147237,18.36157334870261,35.548875021634686,26.03910001730775,23.833251401148548,21.580174084971546,20.840454968605613,19.97850325171834,7.111111111111111,2.7222222222222223,1.7041420118343196,0,0,0,2.45,1.268100000000001,0.7663094323935531,3.479380736486302,4.441492163365841,0.0,1.6509636244473134,5.853800636117529,0.0,1.6509636244473134,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.125,0.124,0.16000000000000003,0.203,3.937,12.0,13.0,13.0,14.0,7.0,1.0,0.0,0.0,0.0,78.0,2.302585092994046,2.5649493574615367,2.6390573296152584,2.6390573296152584,2.70805020110221,2.0794415416798357,0.6931471805599453,0.0,0.0,0.0,4.3694478524670215,1.0,0.4,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.3333333333333333,0,3.0,5.0,0.6666666666666666,2.5,1.333333333333334,0.5625,0.41333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.2777777777777778,0.11111111111111116,0.05625,0.10333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.5484722222222222,19.16594761057121,27.34372994522389,38.33189522114242,4.259099469015824,19.165947630223926,0.023258624935954098,0.0025842916595504553,-3.3849713256767977,39.754396925696035,4.417155213966226,3.3144484045193363,0.0,151.8638616328001,4.169925001442312,3.7612001156935624,4.532599493153256,5.351858133476067,6.1463292576688975,6.963189985870238,7.764296006450518,8.579416534596369,9.382695764458287,10.196940441748334,80.67852573311553,2.9444389791664403,0.0,4.204692619390966,0.0,5.666426688112432,0.0,7.217443431696533,0.0,8.806723554725636,9.038602608721874,126.14085057599999,4.671883354666666,17.382017193345234,1.931335243705026,0.0,0.0,0.0,84.0,10.0,4.938000000000001,42.0,1.2269995202934896,2.101630971833908,2.8402388188052896,3.4903581903886294,4.11596351157895,5.008097319888965,5.36383039789537,0.0,0.0,0.0,78.95148877656192,91.11723762281233,78.974581552755,47.8076106378162,28.50346412966296,17.432904260999504,5.449994969407162,0.0,0.0,0.0,290.5400635315347,371.1463514075258,388.7878010246331,321.29391298211107,262.98943819162116,248.7764192976787,166.72793325903464,0.0,0.0,0.0,8.938429586765382,15.021205262547392,20.09851050831583,24.280458344543312,28.223482180717724,34.09099723324316,36.03670143036573,0.0,0.0,0.0,2.1788650401665124,2.958404881406751,3.3503457580311053,3.1138714908672847,2.854104932801587,2.9711881950738603,2.384828214325628,0.0,0.0,0.0,175.1121322825437,320.72911712122976,447.1681217443055,580.5617807963735,716.1870647777889,890.6975112265951,991.8669230351051,0.0,0.0,0.0,2.362218352130542,3.3874483628976346,4.473521500564584,4.9679357653258975,5.2699793060367845,6.121101571413788,5.36383039789537,0.0,0.0,0.0,0.45089223016508806,0.6197979725393689,0.7114589115676145,0.6748288027863374,0.6305760956262928,0.6659785505664456,0.5492562327444861,0.0,0.0,0.0,328.4460506502604,150.51549495758465,8.315569353439834,97.8682033415682,-44.849621535718725,-5.241575002441487,230.5778473086922,195.3651164933034,13.55714435588132,0.7704317825989367,0.35306230919613973,0.01950572676277257,0.22956821740106323,-0.10520319486333285,-0.012295096758697529,140.02123305952813,64.16690094705355,3.545045745429016,41.722610097081244,-19.12003294681578,-2.2345581369080603,0.06520335050018365,0.1359697207133923,1.1986607153330273,1.1288809899163472,426.31425399182865,0.0,1.0,0.0,620.8036052110712,24.91593075145039,8.530701455586831,795.1702546832483,28.19876335379352,9.264458536326794,1127.0686459084425,33.571843052004795,10.406789962904332,1.450520004520558,1.450520004520558,436.4429156876755,334.4183774220934,202.78534138445298,1.3050805372959802,2.1522409495084758,1.6491250064672198,3.92555480115135,4.044879394496519,6.288840458042304,0.5547658767277286,5.020831514892894,7.454349672740991,11.746829040355705,13.101148144742421,20.105267509823445,11.80611298477838,14.753829034873428,11.013627489890913,10.2353275206847,1.4235954623797002,2.970298503059727,0.011609475578207035,1.0855455610361728E-22,1.963448456968019E-64,6.84962632677663E-128,4.6088243771088314E-213,5.981E-320,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.42193139985703587,6.5261315824316215,0.7614103268183755,5.933496736022348,2.1933374054917083,1.7784517702639224,2.1381103877963774,0.6430693953532939,0.3402302574293709,0.049344092665629904,0.02097177209878399,8.176648574939403E-5,7.645586146320179E-25,1.382872802434885E-66,4.824247828113804E-130,3.2460326929817205E-215,4.2E-322,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3606647403970227,6.588157767784677,2.564143158812814,6.9031928006963375,4.931372622274877,3.4065464343747593,3.5680851360304033,1.7988524619411712,1.440116212316971,0.20549835408074701,0.21813597553755257,8.52069823800568E-4,7.967290242255983E-24,1.4410600801906456E-65,5.0272381883572224E-129,3.38261633652308E-214,4.39E-321,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.7392900681204395,7.352439744426628,10.918784700265187,12.487810143436974,18.683893291809294,11.044081646292685,13.576383261821718,10.038755002225454,9.30412153168917,1.2954704213665567,2.646518100465243,0.010343833728495922,9.672015512176263E-23,1.7493972261308358E-64,6.102893739619547E-128,4.106379544838591E-213,5.329E-320,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.005075814320978,6.668577239328434,3.9321965930350333,7.715351820736334,7.083572112204211,4.6485223102186195,4.8897403886919735,2.877622564235636,2.4682950529489855,0.3496183405717995,0.47369322432218436,0.0018508095165119416,1.7306019048306868E-23,3.1301750581728914E-65,1.0919833117997573E-128,7.347494690541936E-214,9.535E-321,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.063252856691455,7.882866991752007,14.98929134401869,15.570239211890994,25.73678370225818,14.795779677342175,19.573364680960086,15.009179569923159,14.0526714150299,1.94793710777853,4.331732527290182,0.01693132905403996,1.5831661794920129E-22,2.863505046513626E-64,9.989536258947972E-128,6.721537209449202E-213,8.7227E-320,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.3313667145981722,6.124293858241549,6.455003502127299,9.209255739617918,11.053114291880025,7.20332413518521,8.265153367783697,5.7441896969732325,5.196264406650556,0.7454737796754336,1.144583434663866,0.004472616037264066,4.1821255859181927E-23,7.5642960767852346E-65,2.6388572293408185E-128,1.7755756220966246E-213,2.3043E-320,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.069862230988379,1.7885592748193269,0.8792653709457422,0.5350348140164451,0.311721310911157,0.5092359241647518,0.5689966602182664,0.46830378179900195,5.737686876753448,9.7624723531666,20.32788055095392,0.30255222102466767,1.5465363661820202,2.25161165800071,1.2096496694889716,0.4022634911891151,0.5827869015141178,0.31309483600072574,0.2733730506761193,0.2578741868349417,0.09896529223284903,3.8635248186787967,4.116000363431944,9.075154684627941,0.3741803522711768,0.63021252974391,2.5760022463072962,1.4393864012055768,0.5924925075173714,0.5590426835325766,0.31237489700320387,0.3580181099656062,0.36669987044402974,0.21435438828245945,4.6078811550302445,6.08695029123143,12.891712257330305,0.33856402529886487,0.9390723686920954,3.049550758216667,1.774208509810768,0.8675286366808307,0.5358278845274804,0.311741127758272,0.502482582963124,0.5598041463751839,0.45607838688120067,5.6912879047082665,9.595288207796253,19.98037355361975,0.30374182679122075,1.5183651162195084,2.7208670949603526,1.5418697264999495,0.6769345899528232,0.5508194510010892,0.31214014011892677,0.3995720501643997,0.4214563773406789,0.2793103378079108,4.939671411413125,7.080816605861262,14.8603793101688,0.3262291765016337,1.1003387653129892,3.1334665651700515,1.8334935307078943,0.9159895743735035,0.5326352834557092,0.31166228396945084,0.5306807047976086,0.5982671237239633,0.5075449866113135,5.882949670251449,10.294874340082192,21.440358772272262,0.29895292518356376,1.6364928151328855,3.064786581092013,1.7783891154595357,0.8691156484767806,0.536524906727567,0.3113267527937541,0.5074499861238984,0.5623589594131742,0.45737863156395947,5.712291345028329,9.659662883215862,20.10896746805803,0.3047873600913506,1.527187577101032 +UMLCN0228,L,n-propyltetralin,CCCC1=CC2=C(CCCC2)C=C1,Naphthenes,Aromatics,C13H18,NREL (2014),Unknown,PubChem,,8,0,0.1911000000000005,0.03651921000000019,56.5252,34.88227399999998,6,6,31,13,18,0,13,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1893.7227249999978,2237.625278,3005.4326580000024,2972.250137000002,2263.03662,1599.198391999997,1056.4261729999976,692.207211,332.05250500000045,6065.227122498028,7994.49571915995,11689.366271593439,12618.914722841288,10616.066830465152,8056.675420012311,5722.411422998731,4093.706687984181,2589.336930693339,218.9590600000001,233.68460000000005,431.0773200000001,574.5363560000006,543.9514080000004,450.52899199999996,357.13029199999994,279.1880760000002,228.11971600000015,44.25873228728203,59.08839758,90.94867837364087,103.29271352152682,90.46175783152685,70.622121851829,51.78891015698008,38.196005582433045,26.381552627281977,4976.844365606483,4531.3268440922,8999.601352363943,12686.63450631663,12205.785273579531,10256.914711180732,8313.511061470383,6586.434106940234,5599.027760507083,55.833333333333336,69.61111111111111,114.27777777777777,142.52777777777783,132.25,105.91666666666666,76.25,56.75,44.0,61.08782983870961,69.9257899375,50.09054430000004,36.694446135802494,29.390085974025972,24.987474874999954,20.714238686274463,17.305180275,10.062197121212135,195.65248782251703,249.82799122374843,194.82277119322399,155.78907065236157,137.87099779824874,125.88555343769237,112.20414554899472,102.34266719960452,78.46475547555573,7.063195483870971,7.302643750000001,7.184622000000002,7.093041432098773,7.064304000000004,7.039515499999999,7.002554745098038,6.979701900000005,6.912718666666671,1.4277010415252267,1.846512424375,1.515811306227348,1.2752186854509484,1.174828023786063,1.103470653934828,1.0154688266074525,0.9549001395608261,0.7994409887055145,160.54336663246718,141.60396387788126,149.9933558727324,156.6251173619337,158.51669186466924,160.26429236219894,163.01002081314476,164.66085267350587,169.66750789415403,1.8010752688172045,2.1753472222222223,1.9046296296296295,1.7596021947873806,1.7175324675324675,1.6549479166666665,1.4950980392156863,1.41875,1.3333333333333333,0.053208201141606494,9.411037668209943E-4,-0.010914074982836072,-0.010417453867749144,-0.01402398437813097,-0.00565450491267217,0.004834322154294128,0.0020584950232538073,-0.0011570443304059624,913.8531001935477,40.817260058271444,-46.486323955256125,-25.069860344433007,-258.63529290010376,-258.1313761092607,-136.5614503184176,-105.19263008844888,11.338127793965423,1699.3488627347795,75.90143803778162,-86.44330443191805,-46.618475831848016,-480.9433712702637,-480.00631647967407,-253.94184824986246,-195.61018753564133,21.08373278827247,0.17901754838709646,0.00799582101977444,-0.009106351716958207,-0.004911013527574153,-0.05066487825182073,-0.05056616441207118,-0.026751450572321638,-0.020606514047868087,0.002221061394378828,7.5968800856343845,0.3393147432789696,-0.3864417909565736,-0.20840627750775143,-2.1500406418262203,-2.145851570921544,-1.1352382151678704,-0.8744685513516374,0.09425409535525409,41.26637319667952,1.843163070819135,-2.099157941766859,-1.1320662070774623,-11.679054890099664,-11.656299790459862,-6.166632002371063,-4.750127049796866,0.5119897418944725,4.220430107526879,0.3083015377500295,0.62533240837091,-0.24710949242686997,-1.7007457509538706,-2.1513180714533506,-0.5588796392646547,0.12148803329864677,0.23309053069718993,0.0017163935852131126,2.940949271315607E-5,-1.8190124971393453E-4,-1.286105415771499E-4,-1.8212966724845417E-4,-8.835163926050265E-5,9.479063047635545E-5,5.146237558134518E-5,-3.506194940624129E-5,29.47913226430799,1.2755393768209826,-0.7747720659209354,-0.3095044486967038,-3.3588999077935555,-4.033302751707199,-2.677675496439561,-2.629815752211222,0.34357963012016435,54.81770524950902,2.3719199386806755,-1.4407217405319674,-0.5755367386647903,-6.246017808704723,-7.500098694994907,-4.979251926467891,-4.890254688391034,0.6389009935840143,0.005774759625390208,2.498694068679512E-4,-1.517725286159701E-4,-6.062979663671794E-5,-6.579854318418276E-4,-7.900963189386122E-4,-5.245382465161105E-4,-5.151628511967022E-4,6.730489073875236E-5,0.2450606479236898,0.0106035857274678,-0.0064406965159428935,-0.002572917006268536,-0.027922605738002863,-0.03352893079564913,-0.02225957284642883,-0.021861713783790933,0.0028561847077349725,1.3311733289251457,0.05759884596309797,-0.03498596569611432,-0.013976126013302004,-0.15167603753376188,-0.18212968422593534,-0.12091435298766791,-0.11875317624492165,0.015514840663468865,0.13614290669441545,0.009634423054688422,0.010422206806181833,-0.0030507344744058022,-0.022087607155245072,-0.033614344866458604,-0.010958424299306954,0.0030372008324661692,0.0070633494150663615,0.01713446902069638,-0.1059787517740863,-0.07493068179999125,-0.10611183170195802,-0.051475162819099356,0.05522662825880112,0.029982852432389774,-0.020427686113664828,0.04326923076922955,-0.02628205128205197,-0.010499103091695746,-0.11394161394161391,-0.1368189102564101,-0.09083291436232573,-0.08920940170940123,0.01165501165501249,0.04326923076923071,-0.026282051282051275,-0.010499103091695819,-0.11394161394161362,-0.13681891025640996,-0.09083291436232618,-0.0892094017094018,0.01165501165501153,0.043269230769249066,-0.026282051282041828,-0.010499103091692948,-0.11394161394161349,-0.13681891025641163,-0.09083291436233015,-0.08920940170940742,0.011655011655001048,0.043269230769232614,-0.026282051282050318,-0.01049910309169559,-0.11394161394161403,-0.13681891025641052,-0.09083291436232678,-0.08920940170940264,0.011655011655010268,0.04326923076922379,-0.026282051282054828,-0.010499103091696563,-0.11394161394161384,-0.13681891025640947,-0.0908329143623243,-0.0892094017093993,0.011655011655015883,0.07076698513800443,0.07655343241330508,-0.022408324814552696,-0.16223839854413144,-0.24690485668789863,-0.08049206943924068,0.022308917197452156,0.051881876085697665,1.1012304912532718,1.0852896848995357,1.0127348483513228,1.1838164321912654,1.2285038374876311,0.9584346516984023,0.7813784610432629,0.7097725239045428,1.117788461538463,1.0929487179487196,1.005856283634063,1.0839160839160857,1.0867387820512837,1.013071895424838,0.9935897435897448,0.8430458430458441,1.11778846153846,1.092948717948716,1.0058562836340597,1.083916083916082,1.0867387820512802,1.013071895424835,0.9935897435897422,0.843045843045842,1.1177884615384617,1.092948717948718,1.0058562836340614,1.083916083916084,1.0867387820512822,1.0130718954248368,0.9935897435897438,0.8430458430458433,1.1177884615384621,1.0929487179487185,1.0058562836340612,1.0839160839160837,1.0867387820512824,1.0130718954248374,0.9935897435897442,0.8430458430458436,1.1177884615384615,1.0929487179487174,1.0058562836340608,1.083916083916083,1.0867387820512815,1.0130718954248363,0.9935897435897436,0.843045843045843,1.0859872611464971,0.8901804670912957,1.0664858064008815,1.2783108611134097,1.3451433121019116,0.8865992256775328,0.6738057324840769,0.726983207874928,67.69663618568075,33.746077204234595,49.59798789493641,67.69663618568075,5.207433552744673,33.74607720423461,-7.105427357601002E-15,0.1947074059496029,0.014977492765354069,-2.1271345284527703,142.6010932989024,10.96931486914634,6.448066527296588,67.69663618568075,33.746077204234595,49.59798789493641,67.69663618568075,5.207433552744673,33.74607720423461,-7.105427357601002E-15,0.1947074059496029,0.014977492765354069,-2.1271345284527703,142.6010932989024,10.96931486914634,6.448066527296588,67.69663618568075,33.746077204234595,49.59798789493641,67.69663618568075,5.207433552744673,33.74607720423461,-7.105427357601002E-15,0.1947074059496029,0.014977492765354069,-2.1271345284527703,142.6010932989024,10.96931486914634,6.448066527296588,67.69663618568075,33.746077204234595,49.59798789493641,67.69663618568075,5.207433552744673,33.74607720423461,-7.105427357601002E-15,0.1947074059496029,0.014977492765354069,-2.1271345284527703,142.6010932989024,10.96931486914634,6.448066527296588,67.69663618568075,33.746077204234595,49.59798789493641,67.69663618568075,5.207433552744673,33.74607720423461,-7.105427357601002E-15,0.1947074059496029,0.014977492765354069,-2.1271345284527703,142.6010932989024,10.96931486914634,6.448066527296588,67.69663618568075,33.746077204234595,49.59798789493641,67.69663618568075,5.207433552744673,33.74607720423461,-7.105427357601002E-15,0.1947074059496029,0.014977492765354069,-2.1271345284527703,142.6010932989024,10.96931486914634,6.448066527296588,73.3935942714348,36.230622052266014,52.787077334365776,73.28590196374248,5.6373770741340365,36.230622052266014,-0.20000000000003126,0.1755724488509405,0.013505572988533885,-2.261614559483482,756.9776464429655,58.22904972638196,8.618133841023234,0,11.850000000000005,12.150156966867167,-0.20817890928359006,0.09199676486926135,5.371175090011634,9.477794243322807,14.0,32.0,29.0,26.0,8.0,3.0,0.0,0.0,0.0,6.0,19.677725999999996,3.888554372165582,3.392406234688625,3.1102052461941994,2.8523972355304066,2.590006115651512,2.383157499145959,2.0458466936558386,1.4890686821618417,2.0687954436438165,1.7998575771459626,1.5944152702655792,1.3507762224661357,1.1794610181851528,0.9896437925174016,0.8551801907976576,0.6382911855358931,3.898826248612141,3.4180037335624656,3.1441341267863803,2.881948912284656,2.622013008332711,2.4251614515442736,2.1073229549323376,1.5760371086657394,2.0378073742777683,1.7371887662480479,1.527463996515437,1.2722917680135446,1.084650403394002,0.9017856199683983,0.7483748837901699,0.49427082661988014,3.946610859809713,3.534242294549295,3.2923485262836483,3.020322474712905,2.7792637596116303,2.608215306371356,2.365213748276368,1.9474715625379984,1.9567382977697614,1.5581057118514763,1.3215443496089718,1.0494557646447056,0.8138162061626554,0.6441243657232897,0.4141003987779476,0.018602965953544305,3.9065223601971284,3.4370693552907645,3.169113063556733,2.9041882617057913,2.6464538490032146,2.4560966200993772,2.1520102031364385,1.6396921142485772,2.019044936792528,1.6976971514632269,1.4839821796078088,1.2228097020978597,1.0243588063831135,0.846100463943369,0.6787386992837008,0.3979560587513391,3.9717088898403636,3.5928050942632033,3.363243059955528,3.0921520541015806,2.8651056665272745,2.695454481570994,2.483055446574343,2.118777931075189,1.9340584370488827,1.504254616738993,1.255059114933376,0.9840247615610933,0.736847484314588,0.5623024817912631,0.30193292746055794,0.14444571860981315,3.953173649156983,3.42321137581425,3.218012915569261,2.9541126299898726,2.6840325587366487,2.5322573619746724,2.2385360523971265,1.727616185046855,1.992160296554843,1.6833586459136152,1.4068348470490937,1.190300009510615,0.9406445441758507,0.7226927250474614,0.557169358327951,0.2723094324562315,0,0,0,3,3,1,6,0,0,0.0,0.0,0.0,0.15137471507731048,0.2621886974951644,0.0,0.0,0.0,0.08655626121623441,0.12319981995668611,0.5374574785652648,0.0,0.08333333333333333,0.0,0.32197527542968946,0.0,0.041666666666666664,0.0,1.3277092210418138,2.1240640271985227,2.818095423567354,0.7267831463756221,1.0792819253219061,1.3161396261725253,9.096011838247808,6.398178147766923,5.272369429112256,4.345208538503484,3.6410170017371155,2.9529128780147658,1.805410057498215,1.2308323939083263,0.6996932183267545,0.4570127248404945,0.29290941272845866,0.1889221103697167,0.1255523104047281,0.08202535772263238,0.05641906429681922,0.03970427077123633,8.474691494688164,5.505800824678954,4.060169454599766,2.951581372489253,2.230965155639089,1.6357370189637668,0.9012412331604022,0.5789056827121566,0.6518993457452434,0.39327148747706814,0.225564969699987,0.12832962489083707,0.07692983295307204,0.04543713941566019,0.028163788536262568,0.01867437686168247,17.876450234072863,29.99053168244719,28.52941176470589,28.83999999999999,20.18699041916169,234.22507425149703,0.5766596849700923,0.9674365058853932,0.9203036053130933,0.9303225806451609,0.6511932393277964,7.555647556499904,3.5179000000000027,57.07900000000004,95.39341094991329,125.6226396348487,190.78682189982658,14.675909376909738,95.39341094991329,0.1288267340537692,0.009909748773366863,-2.6640730016169636,83.58277669516843,6.429444361166802,5.753588722014663,166,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,7.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,6.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.84440098261527,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.03,0.0,2.190449263038549,0.0,0.0,1.03,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2494527903754094,0.0,7.906146227009322,0.0,0.0,7.088425925925925,0.0,0.0,0.0,0.0,4.755975056689342,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5306944444444446,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.32756944444444447,0.0,0.2546159297052154,0.0,0.0,0.32756944444444447,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2494527903754094,0.0,1.2433333333333332,0.0,0.0,2.313148148148148,0.0,0.0,0.0,0.0,1.5306944444444446,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.428564814814815,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.35402777777777783,0.0,0.35930555555555554,0.0,0.0,0.35402777777777783,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2494527903754094,0.0,1.3914467592592592,0.0,0.0,2.428564814814815,0.0,0.0,0.0,0.0,1.6224074074074075,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,22.0,1.6923076923076923,0.35930555555555554,2.428564814814815,0.08374999999999999,1.2433333333333332,7.85316045005039,0.2566666666666667,0.4285648148148148,2.675757432602671,0.2566666666666667,0.4285648148148148,2.675757432602671,6.5,0.5,0.0,0.0,0.46774,0.7,0.44054,0.44054,0.7,0.0272,0.0272,-0.0,0.0,0.71429,0.0,0.0,0.07692,0.23077,0.0,13.0,1.0,7.0,0.53846,6.0,0.46154,-1.0,-0.07692,0.0,0.0,10.94335,0.8418,16.31404,5.37069,0.41313,4.43565,0.3412,6.39816,1.96251,0.15096,0.01584,0.00122,0.18784,0.01445,0.3225806451612903,40.0,0,0,0,0,0,0,0.5384615384615384,0.9811522341999133,2.296848037969291,3.299866874414479,3.7843684875968617,4.091135423220312,4.284683810317086,30.41571926019731,71.20228917704802,102.29587310684884,117.31542311550271,126.82519811982966,132.82519811982965,0.19804468227123898,0.46361667848198956,0.6660751144430913,0.7638713225115091,0.8257919482606924,0.8648595134056148,3.9730440761869623,2.6573482724175848,1.654329435972397,1.169827822790014,0.8630608871665642,0.6695125000697901,0.19128447990851824,0.44779124692115513,0.6433388182155526,0.7377967788275516,0.7976037605460534,0.8353377647835605,6.768173452159657,18.407720405331798,22.34912390668206,25.23260725445737,26.25094722974926,27.15518271774926,49.20687382694394,33.0144055116851,26.347500464161403,21.187046866260985,19.136490760272448,17.48862217292608,9.551020408163266,4.481481481481482,2.268431001890359,3,6,3,2.8899999999999997,1.5941000000000005,0.0,2.161404955085131,0.6694329500821695,0.0,12.557629336466295,12.638484952255327,0.0,1.6509636244473134,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.11099999999999999,0.1,0.655,0.888,6.723999999999999,18.0,23.0,29.0,36.0,32.0,31.0,28.0,23.0,9.0,256.0,2.8903717578961645,3.3843902633457743,3.8969093676180977,4.3990681005287335,4.893633203422944,4.901564199041894,4.955166628298224,4.924986624562562,4.782531544647173,3.6109179126442243,6.786787489877851,3.457275390625,0.5,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,3.0,0.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.14285714285714285,3.0,0.21428571428571427,0,4.0,8.0,1.0,2.0,1.1111111111111116,0.4375,0.5955555555555557,0.17361111111111113,0.10040816326530612,0.043402777777777776,0.02040816326530612,0.0,0.0,0.14285714285714285,0.06172839506172842,0.025735294117647058,0.04962962962962964,0.02170138888888889,0.020081632653061225,0.014467592592592593,0.02040816326530612,0.0,0.0,0.35660923906599684,39.58631686636789,59.10670360737715,79.17263373273579,6.090202594825829,39.58631686636789,0.16048477211296713,0.012344982470228241,-2.378423084328301,92.65500557998598,7.127308121537383,5.887547871450997,0.0,189.8819653330669,4.700439718141093,4.174387269895637,4.990432586778736,5.831882477283517,6.670766320845874,7.52131798019924,8.367532416861831,9.220587688427733,10.069467984116963,10.92321895835079,94.76959368276032,3.367295829986474,0.0,4.61512051684126,0.0,6.093569770045136,0.0,7.68017564043659,0.0,9.319105086767571,9.53935630792094,174.140850576,5.617446792774193,26.54793231588967,2.0421486396838207,0.0,0.0,0.0,248.0,17.0,4.8790000000000004,64.0,1.2595874132904372,2.1895013547639235,2.9793984701350222,3.8148043769347044,4.8570470573275975,5.778555656068218,6.83267707880631,7.60755120733247,8.669784523548534,9.699597723180979,99.12338519057113,120.00681048294776,120.41564382243345,127.52797249260888,133.65266574799404,132.85353617828835,128.78204895018837,83.8926840976444,33.08756850888426,9.855412061006158,340.48817916529794,453.89754790944033,494.86850550259464,572.5632671087507,646.1068017064296,690.5862042896912,730.3708092195042,629.1572835534829,452.6074718737126,301.49981671019054,9.233662973565156,15.783891578376974,21.19873287117384,27.065054046550912,34.26815250710312,40.57900348924856,47.76451299331076,52.70730454014162,59.121423355762815,65.16639811767337,2.465870740406326,3.4790488150998717,3.983903588185394,4.774148525806746,5.569964681256008,6.139681132364439,6.717331440166269,6.312816612051017,5.319004670817046,4.312566319570241,176.16204925956583,324.71799345603335,461.9783551187764,596.2054776563491,772.9064384407693,933.4635878743694,1119.6607323519634,1281.5674471470836,1533.5959660054123,1793.6268365503777,2.824982617387193,4.295474466287341,5.394166870888214,6.812596729616995,8.191159879211355,8.845116720285203,9.855715404469876,10.369194568539159,10.207625172083318,9.699597723180979,0.5069755762258712,0.7234448078396927,0.8365609812213779,1.0084010524242202,1.1836007395748096,1.3118058720773218,1.4436369390968182,1.3759556562266775,1.1889955736707878,0.9932388068537322,367.84541861739956,222.11197538653613,11.923941765695373,58.43159441151469,-35.28209460513999,-3.0991328464523002,309.41382420588485,257.39406999167613,15.023074612147674,0.8629257674573428,0.5210507923200408,0.027972284221871882,0.13707423254265716,-0.0827679971632597,-0.007270232153574011,156.80404630459566,94.68122942572435,5.082902279411342,24.908045532257482,-15.039945901682644,-1.3210890927654835,0.10318987184604203,0.10761542777011683,1.5294567883214882,0.9916175033209584,426.27701302891427,0.0,1.0,0.0,964.368673661086,31.054285914525323,9.879789649715638,1139.3722600140802,33.754588725298966,10.444521475339625,1785.586261881674,42.25619791085888,12.13184757790533,1.8282801850607633,1.8282801850607633,1428.1176885774546,1274.9633712299424,232.7618839710642,1.1201244842036255,6.135530715823691,5.477543614436629,5.206331645573081,5.548442675044487,10.34424666195482,0.8643513626770742,5.265187917817765,8.304621167150598,4.703667963701515,28.134863336728095,8.730391634953602,10.745957132669842,10.83313846795646,13.977307598323577,10.857320243302114,3.8936776482679654,10.065978402047719,9.072203171852195,9.916178874712152,4.442101070727937,4.003004020834583,5.131444618431256,3.204360125564644,1.1047721574406526,0.8190819876954488,0.08839938235485074,2.1125013750226198E-19,9.737093323695834E-59,8.656405044540456E-120,1.4843000814212554E-202,4.9088725654108136E-307,0.0,0.0,0.0,0.0,0.0,0.4418734566077848,8.304307413682812,0.36543711566588216,11.501613182229546,1.7158540817053496,2.0721315485280463,1.5905590351810055,1.8791600218868634,2.9522622963467295,0.19900232207885346,2.2263790651062547,2.719425516380507,1.3464598052899643,0.2651022125583188,0.7997987452561254,0.17614002612087126,0.1460662012846619,0.015276653212194192,0.0058682237205280536,6.226040779259251E-4,1.4878519913561762E-21,6.857914443500256E-61,6.096776852212585E-122,1.0454046837669407E-204,3.45735908535538E-309,0.0,0.0,0.0,0.0,0.0,1.4264147675561467,8.304329015896629,1.198958313001789,13.217072262719933,2.5864179719033795,3.5353643677601623,3.37590270332312,3.7052529544161614,3.8384157522903872,0.7157054471477933,3.4434356876469785,3.7118285540686182,2.669538504598405,0.9199950339004372,1.0821426998751436,0.7225007771162313,0.5518878834086277,0.10034180694017099,0.060371264714309966,0.006488014522255406,1.5504564889846408E-20,7.146475598110122E-60,6.353311543971619E-121,1.0893922816099348E-203,3.602834730726924E-308,0.0,0.0,0.0,0.0,0.0,4.9699080627039836,8.30458694497082,4.419687214200671,26.522350645202238,8.10241403457244,10.10624629535575,10.231490586210052,13.009055158653691,10.116035004795393,3.583487187714179,9.45048992695789,8.575627275489946,9.240777151847977,4.116440807337558,3.6754822147244957,4.663539468047731,2.9398562641401997,0.9894933036702274,0.7298557214998785,0.07876225817613808,1.8822006926369457E-19,8.67557484923987E-59,7.712701048729749E-120,1.3224846498867947E-202,4.373717078685358E-307,0.0,0.0,0.0,0.0,0.0,2.102271512363699,8.304356446916284,1.7865856096904074,14.893431278865869,3.350680355778829,4.631065589793,4.63155249132256,5.149846366427964,4.6627235415867725,1.1409123999399924,4.392678821810617,4.483445286713799,3.7043333050320615,1.4282660894674375,1.386268577600764,1.2356648205265517,0.895331492014192,0.1995107378965855,0.1308899464044026,0.01409283451383973,3.3677986763466376E-20,1.5523099958529203E-59,1.3800241645102619E-120,2.3663056074735974E-203,7.825838469794057E-308,0.0,0.0,0.0,0.0,0.0,6.358476314410726,8.30476492422192,5.776009684960537,34.779983559976465,11.280951642009951,13.2379453013055,13.101444994560737,17.82074748312223,13.89415976521817,5.137554770096632,12.49876637473266,11.03304391043456,12.588075081309059,5.72729444889641,5.364891789047377,7.050715221709655,4.271441439166498,1.5867576241260934,1.1942300081541035,0.12892219125155563,3.080884719268582E-19,1.420063550526466E-58,1.2624553214900794E-119,2.164712171896642E-202,7.159129293086969E-307,0.0,0.0,0.0,0.0,0.0,3.0926218948218045,7.565459724071447,2.5982911471706274,17.892455664444164,4.527626464851385,6.403147016723012,7.045428035915617,8.336260835418296,6.009374099051852,1.8808827141074098,5.9954896068643055,5.631256040037628,5.192619762580204,2.2317747997442536,2.063109031143474,2.1663106017435543,1.5936591386939012,0.4032762647348274,0.2864530521914594,0.030866726483408633,7.376296123529397E-20,3.3999354787285046E-59,3.0225877118333413E-120,5.182783342152731E-203,1.7140484784182389E-307,0.0,0.0,0.0,0.0,0.0,9.537779467805432,1.797340658547067,0.5936652947161523,0.7995599829434253,0.1506725617993429,0.565585532753159,0.44051850674079385,0.39912542897969977,11.928785421068651,23.871906260196155,45.97768141433622,0.6993399744151381,1.4052294684736526,7.118387316194863,1.1146504895592566,0.23156251624368362,0.840959649056979,0.13168377089967295,0.3151881073538325,0.16949302954059917,0.060667594781549816,8.464600321997803,9.840976857498807,20.142913184941698,0.7614394735854684,0.5453487316759815,7.974766583209306,1.3560175877218148,0.36004030190643116,0.8229193094521327,0.13992798977244933,0.3955089766281462,0.25069747063191256,0.14685715399749624,9.690824472837553,14.173382094733812,27.75765493744517,0.734378964178199,0.793063601257555,9.46611438262208,1.7770891443301202,0.5829715855597628,0.8004375288344103,0.15026744720277138,0.557123811279077,0.430635276896606,0.3848994050524572,11.826175112511963,23.37659729522336,45.009595686518196,0.7006562932516155,1.3726584932281403,8.397346911257836,1.4752499765457743,0.42329647589268315,0.815601581584673,0.1432852812702549,0.43849904045193017,0.296704707867913,0.20302337137455537,10.295893363696294,16.567221304396192,32.10699007427749,0.7234023723770096,0.9382271196943985,9.766863023160141,1.8620849726267485,0.6278391922340836,0.7968534391056141,0.15192276279763064,0.593061931042331,0.47287303845516004,0.44630434651457174,12.256787188020972,25.48783818133736,49.162966529422064,0.6952801586584212,1.5122393160120629,9.463863095947254,1.7811210289684571,0.5836451763746932,0.8000811298494938,0.15057712805102041,0.5568321023573899,0.43255672139251805,0.3857127278901094,11.828629301290404,23.419366318387233,45.08608538739513,0.7001216947742406,1.3751015516400173 +UMLCN0229,L,cyclohexyltetradecane,CCCCCCCCCCCCCCC1CCCCC1,Naphthenes,,C20H40,Creton (2011),Unknown,UML,,57,0,-3.8080000000000016,14.500864000000012,65.7309,61.87171999999995,0,0,60,20,40,0,20,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2925.9249799999966,3369.565940000003,3995.2367490000065,3811.0203790000023,3297.542656,3014.004182999999,2811.15107,2614.3943409999997,2417.637611999999,9713.687812223832,13059.802689807348,18496.069646685908,19817.588252370424,17868.216210252576,15996.094061842037,14802.793250301325,13795.994905346197,12789.196560391067,419.5488799999997,435.5156000000004,854.6138760000006,1237.5188920000026,1191.947776000003,1065.8025240000034,962.6068400000031,899.7219400000029,836.8370400000024,73.56251619395991,100.31977239999992,154.76022718182918,178.09031418852467,163.70725563792055,146.00169079882608,134.31248451033574,125.29095565093957,116.26942679154361,9932.593202769962,8660.789030316002,18489.510892005386,29018.883232010576,28306.312937847284,25385.664644769928,22797.203577585864,21318.248422547287,19839.293267508707,86.27777777777777,106.33333333333333,185.24999999999997,241.99999999999997,229.33333333333331,204.91666666666666,186.66666666666666,174.41666666666666,162.16666666666666,48.76541633333328,56.159432333333385,33.29363957500006,21.53118858192092,19.28387518128655,19.699373745098033,20.37065992753623,20.26662279844961,20.146980099999993,161.89479687039722,217.6633781634558,154.13391372238257,111.96377543712104,104.4924924576174,104.54963439112443,107.2666177558067,106.9456969406682,106.57663800325889,6.992481333333329,7.25859333333334,7.121782300000005,6.991632158192105,6.970454830409374,6.966029568627473,6.975411884057993,6.974588682170565,6.97364200000002,1.2260419365659985,1.6719962066666654,1.2896685598485764,1.006159967166806,0.9573523721515822,0.9542594169857913,0.9732788732633024,0.9712477182243378,0.96891188992953,165.54322004616603,144.34648383860002,154.07925743337822,163.94849283621795,165.5339937885806,165.91937676320214,165.19712737381062,165.2577397096689,165.3274438959059,1.4379629629629629,1.7722222222222221,1.5437499999999997,1.367231638418079,1.341130604288499,1.3393246187363834,1.3526570048309179,1.3520671834625322,1.3513888888888888,0.08306742372656883,-0.001624453330990675,-0.03691552687318218,-0.007597415835620309,-0.002831407767118466,0.004606834183842604,3.957625887708919E-5,1.1021196809864794E-6,9.4095105554904E-9,1614.2134533333317,2.7355895326763857E-12,-686.0407176666635,-161.4213453333346,-80.71067266666893,80.71067266666533,-8.277822871605167E-13,-7.140954494389007E-13,-6.004086117172847E-13,3001.6988458562996,-1.0700773600547109E-11,-1275.7220094889396,-300.16988458563486,-150.0849422928173,150.08494229281484,-6.465938895416912E-13,-8.739675649849232E-13,-6.465938895416912E-13,0.31621333333333307,-1.46150452851046E-14,-0.13439066666668156,-0.03162133333333478,-0.015810666666664752,0.015810666666669245,1.1926223897340549E-15,1.2203779653496838E-15,1.3036446921965705E-15,13.418990464653362,3.0253577421035516E-14,-5.703070947477632,-1.341899046465326,-0.6709495232326693,0.6709495232326587,-6.689093723366568E-15,-5.800915303666443E-15,-5.800915303666443E-15,72.89216917931985,-1.4357404154452524E-12,-30.97917190121246,-7.2892169179321336,-3.6446084589658034,3.6446084589662426,1.0236256287043943E-13,1.0236256287043943E-13,1.0236256287043943E-13,3.8314814814814757,-0.3388888888888856,-1.5240740740740673,-0.27879629629629343,-0.09009259259259167,0.18805555555555736,0.00981481481481692,0.009537037037038877,0.009259259259260834,0.0013844570621094805,-2.7074222183177918E-5,-3.076293906098515E-4,-4.2923253308589316E-5,-1.655794015858752E-5,3.0110027345376497E-5,2.867844846165883E-7,8.54356341849984E-9,7.841258796242E-11,26.90355755555553,4.5593158877939764E-14,-5.717005980555529,-0.9119850018832464,-0.47199223781677735,0.5275207363834336,-5.998422370728382E-15,-5.535623639061246E-15,-5.003405097644039E-15,50.02831409760499,-1.7834622667578516E-13,-10.631016745741164,-1.6958750541561292,-0.8776897210106274,0.9809473352471558,-4.6854629676934146E-15,-6.774942364224211E-15,-5.388282412847426E-15,0.005270222222222218,-2.4358408808507665E-16,-0.0011199222222223464,-1.7865160075330384E-4,-9.246003898634358E-5,1.0333769063182513E-4,8.64219122995692E-18,9.460294305036308E-18,1.0863705768304755E-17,0.22364984107755603,5.04226290350592E-16,-0.047525591228980264,-0.007581350545001842,-0.003923681422413271,0.004385291001520645,-4.8471693647583827E-17,-4.4968335687336767E-17,-4.8340960863887025E-17,1.2148694863219975,-2.392900692408754E-14,-0.2581597658434372,-0.04118201648549228,-0.021313499760033938,0.023820970320040803,7.417577019597061E-16,7.935082393057321E-16,8.53021357253662E-16,0.06385802469135793,-0.005648148148148093,-0.01270061728395056,-0.001575120318058155,-5.268572666233431E-4,0.0012291212781408978,7.112184648418059E-5,7.393051966696805E-5,7.716049382717361E-5,-0.019555841003783284,-0.22220218960140253,-0.031003672474455565,-0.0119598798776456,0.021748617685187155,2.071458136662023E-4,6.171056981342647E-6,5.663778972165715E-8,1.6946888449154141E-15,-0.21249999999999922,-0.03389830508474606,-0.017543859649123316,0.019607843137254596,-2.229601924705203E-16,-2.0575805365629614E-16,-1.8597559401993831E-16,-3.5649057917049246E-15,-0.21250000000000208,-0.03389830508474632,-0.017543859649123077,0.019607843137254884,-9.365622352478438E-17,-1.3542216015927165E-16,-1.0770465705350202E-16,-4.6218940646940707E-14,-0.21250000000002375,-0.033898305084747345,-0.017543859649120697,0.019607843137258114,1.6398153371060116E-15,1.7950465665653324E-15,2.0613373232151898E-15,2.2545345345259565E-15,-0.21249999999999825,-0.033898305084745506,-0.01754385964912284,0.019607843137254628,-2.1673028433217212E-16,-2.0106580657816295E-16,-2.161457420715252E-16,-1.969677170552066E-14,-0.21250000000001046,-0.03389830508474645,-0.017543859649121897,0.019607843137256248,6.105657523800095E-16,6.531633630111729E-16,7.021506152370109E-16,-0.08844852585790164,-0.19888835186080173,-0.02466597308123939,-0.008250447287866768,0.01924771842037948,0.001113749553449712,0.0011577326424406806,0.0012083131947802942,1.4956233163917008,1.425318691993347,1.0071911406918868,0.9600686414275115,0.9256744291695671,0.9639196764438247,0.9623078725102215,0.9602406310764005,1.4750000000000025,1.4381250000000025,1.0250000000000017,0.970394736842107,0.9254901960784332,0.9619565217391322,0.9604651162790716,0.9587500000000018,1.4750000000000005,1.438125,1.025,0.9703947368421053,0.9254901960784315,0.9619565217391306,0.9604651162790698,0.9587500000000002,1.4749999999999988,1.4381250000000017,1.0250000000000015,0.9703947368421063,0.925490196078432,0.9619565217391308,0.9604651162790699,0.9587499999999999,1.474999999999996,1.4381249999999963,1.0249999999999975,0.9703947368421025,0.9254901960784281,0.9619565217391269,0.9604651162790664,0.9587499999999969,1.475000000000001,1.4381250000000003,1.0250000000000001,0.9703947368421054,0.9254901960784316,0.9619565217391308,0.9604651162790702,0.9587500000000005,1.5969067182213659,1.3153093281778658,0.9340260995650087,0.8992605971187044,0.8806470872544295,0.9205770483535434,0.9251183022918624,0.9303407443209295,256.60457489974453,128.30228744987218,205.2545864677746,256.60457489974436,12.830228744987219,128.30228744987218,-1.7053025658242404E-13,0.13653344582637833,0.006826672291318917,-3.9823713400032377,341.0130892072855,17.050654460364274,11.663841722637876,256.60457489974453,128.30228744987218,205.2545864677746,256.60457489974436,12.830228744987219,128.30228744987218,-1.7053025658242404E-13,0.13653344582637833,0.006826672291318917,-3.9823713400032377,341.0130892072855,17.050654460364274,11.663841722637876,256.60457489974453,128.30228744987218,205.2545864677746,256.60457489974436,12.830228744987219,128.30228744987218,-1.7053025658242404E-13,0.13653344582637833,0.006826672291318917,-3.9823713400032377,341.0130892072855,17.050654460364274,11.663841722637876,256.60457489974453,128.30228744987218,205.2545864677746,256.60457489974436,12.830228744987219,128.30228744987218,-1.7053025658242404E-13,0.13653344582637833,0.006826672291318917,-3.9823713400032377,341.0130892072855,17.050654460364274,11.663841722637876,256.60457489974453,128.30228744987218,205.2545864677746,256.60457489974436,12.830228744987219,128.30228744987218,-1.7053025658242404E-13,0.13653344582637833,0.006826672291318917,-3.9823713400032377,341.0130892072855,17.050654460364274,11.663841722637876,256.60457489974453,128.30228744987218,205.2545864677746,256.60457489974436,12.830228744987219,128.30228744987218,-1.7053025658242404E-13,0.13653344582637833,0.006826672291318917,-3.9823713400032377,341.0130892072855,17.050654460364274,11.663841722637876,265.77201649297655,132.71786240450393,212.24067065162018,265.70308488055014,13.285154244027506,132.71786240450393,-0.09583333333330302,0.1015066297255956,0.00507533148627978,-4.575262330279674,204.6184057156727,10.230920285783636,10.642293617962107,0,11.899999999999995,12.10043149174546,-0.15127034752309826,0.04917190045504852,5.127079015473205,9.068609526109492,20.0,60.0,60.0,60.0,20.0,0.0,0.0,0.0,0.0,0.0,43.72827999999999,3.655484279297412,3.5327511665118916,3.427119398355528,3.273683433919939,3.0883239167034846,2.8887044667065425,2.7501294719455007,2.677626180023396,2.0132796008694958,1.941884611047985,1.8646962988858404,1.7530182478864933,1.6167504003525404,1.4694752702646763,1.372874416517864,1.3260327780146526,3.6795946279024823,3.560847590577089,3.4571180635939185,3.3065268087001622,3.1244529483357764,2.928349978179288,2.792995693681246,2.7225845224114775,1.9606798919493729,1.8828802164088398,1.8016719772592473,1.6842574718219239,1.5412711598721385,1.3869181363873944,1.285229005047928,1.2354888417237706,3.7854750285914887,3.6834253363606337,3.588228045807643,3.450356188578258,3.2832015234192036,3.1031046989330835,2.9815376553220263,2.9198789022093514,1.8066069947189818,1.707715379629854,1.6142325634917336,1.4789008051224641,1.31474975552528,1.137871733436425,1.0189282736728784,0.9588932432289431,3.6973457147132045,3.5814930146848565,3.479177665457234,3.3307004715383237,3.1510841553006355,2.9576154469326466,2.824624263979159,2.7557375085531457,1.9272548421122413,1.8451743555629045,1.7613571060280362,1.6401809440976756,1.492768004898454,1.3337314285033075,1.2285965048401615,1.1768565951647099,3.837036246264121,3.742582664146562,3.65156303009874,3.5198672442161674,3.360019753935223,3.187746291041612,3.072480534273651,3.014696944267582,1.7586565842472337,1.6525118463657384,1.5551388611201602,1.4140341829853706,1.2430638996783532,1.0588739011534698,0.9339036709558748,0.8701177569508324,3.7107250529984754,3.623439795272613,3.5346033375323085,3.3986644057724837,3.225758051773705,3.0328797142734394,2.8868676672470706,2.836403124620901,1.8904192260955595,1.7812426922198927,1.6862892496774164,1.5515901256534246,1.3931838550616908,1.2272938646191924,1.1292117589316808,1.0598267984838279,0,0,0,0,0,1,18,1,0,0.0,0.0,0.0,0.10206207261596577,0.07216878364870323,0.0,0.0,0.0,0.10206207261596577,0.07216878364870323,0.20412414523193154,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.4330127018922194,0.6123724356957946,0.6495190528383291,0.4330127018922194,0.6123724356957946,0.6495190528383291,14.305272330547487,9.931851652578137,7.181798275874713,5.190670697680657,3.749817760535248,2.7077077845361237,1.537575053673965,1.0247297470361303,0.7152636165273744,0.4965925826289069,0.34199039408927207,0.2359395771673026,0.16303555480588033,0.11282115768900515,0.08092500282494552,0.056929430390896124,14.305272330547487,9.931851652578137,7.181798275874713,5.190670697680657,3.749817760535248,2.7077077845361237,1.537575053673965,1.0247297470361303,0.7152636165273744,0.4965925826289069,0.34199039408927207,0.2359395771673026,0.16303555480588033,0.11282115768900515,0.08092500282494552,0.056929430390896124,30.836556075717425,57.75673707210497,54.509803921568555,55.20000000000005,35.97108982035934,460.56510179640725,0.5139426012619571,0.9626122845350829,0.9084967320261426,0.9200000000000009,0.5995181636726556,7.676085029940121,7.657900000000008,92.27000000000008,150.7743999460196,233.3532305588079,301.54879989203926,15.07743999460196,150.7743999460196,0.14237155164081988,0.0071185775820409945,-3.898630155531473,201.26602791713213,10.063301395856607,10.60925510990338,527,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,18.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.000000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2998705499522343,0.0,26.92987875654786,0.0,0.0,0.0,1.1035840268332426,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2998705499522343,0.0,1.3758503401360545,0.0,0.0,0.0,1.1035840268332426,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2998705499522343,0.0,1.5397135416666667,0.0,0.0,0.0,1.1035840268332426,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,30.333333333333332,1.5166666666666666,0.2,2.2998705499522343,0.2,1.1035840268332426,14.442768849639561,0.22974930650009054,0.2998705499522343,0.971804768203578,0.22974930650009054,0.2998705499522343,0.971804768203578,10.0,0.5,0.0,0.0,0.43333,0.7,0.43333,0.43333,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.05,0.05,0.0,10.0,0.5,10.0,0.5,0.0,0.0,-10.0,-0.5,0.0,0.0,27.52099,1.37605,27.52099,0.0,0.0,9.93185,0.49659,9.93185,0.0,0.0,-0.01785,-8.9E-4,0.06815,0.00341,0.1,20.0,0,0,0,0,0,0,1.0,0.9182958340544896,1.1079610319175832,1.7580565295242412,2.492811116022845,2.919101958243782,3.1705641759783916,55.09775004326937,66.477661915055,105.48339177145448,149.56866696137072,175.14611749462694,190.2338505587035,0.15546179824918327,0.18757094176440267,0.2976280838570583,0.42201748545607515,0.49418588528014895,0.5367568815876748,4.98859476155403,4.798929563690935,4.1488340660842775,3.4140794795856735,2.9877886373647367,2.736326419630127,0.15546179824918327,0.18757094176440267,0.2976280838570583,0.42201748545607515,0.49418588528014895,0.5367568815876748,6.732876570223358,9.008858944580483,12.778636427106402,15.36650153139478,16.513607899325795,18.038180429160022,78.99750004807709,73.05806338933762,63.47789589049574,55.97811696525292,52.94897347502791,47.49318118761818,18.05,13.959183673469388,11.380165289256198,14,0,14,3.66,2.817999999999999,0.0,2.3895693091984493,0.07142857142857142,0.0,31.833027791371713,4.479105658160493,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.089,0.084,0.23800000000000002,0.23299999999999998,9.882,21.0,22.0,23.0,24.0,19.0,18.0,17.0,16.0,15.0,215.0,3.044522437723423,3.091042453358316,3.1354942159291497,3.1780538303479458,3.2188758248682006,2.995732273553991,2.9444389791664403,2.8903717578961645,2.833213344056216,2.772588722239781,5.375278407684165,1.0,0.47058823529411764,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,0.65,14.0,0.7,2,9.0,17.0,0.8888888888888888,1.0,0.44444444444444464,0.1875,0.1511111111111111,0.09027777777777776,0.06040816326530612,0.043402777777777776,0.032753842277651796,0.025625000000000002,0.020610141822263034,0.05,0.021164021164021173,0.009868421052631578,0.009444444444444445,0.006018518518518518,0.004314868804664722,0.0033386752136752135,0.002729486856470983,0.002329545454545455,0.0020610141822263034,0.12671506724491813,128.30228744987218,205.2545864677746,256.60457489974436,12.830228744987219,128.30228744987218,0.13653344582637833,0.006826672291318917,-3.9823713400032377,341.0130892072855,17.050654460364274,11.663841722637876,0.0,342.11969251733524,5.321928094887363,4.418840607796598,5.1298987149230735,5.855071922202427,6.580639137284949,7.315218389752975,8.048468743668883,8.789203094473724,9.527848201325206,10.273429104575246,105.93861791600305,3.713572066704308,0.0,4.8283137373023015,0.0,6.1070228877422545,0.0,7.466799475018602,0.0,8.87360810154911,9.161255164285691,280.31300128000066,4.671883354666678,39.708501734959725,1.9854250867479863,0.0,0.0,0.0,1238.0,19.0,11.319000000000004,82.0,1.239466450798737,2.134712157464913,2.849334210102323,3.5881006913302853,4.687598374699372,5.658734274848321,6.86199830413433,7.934680033285099,9.139695615578123,10.244878979227128,80.75001954746956,78.88911693560478,71.6471396304991,85.31299814675975,109.69128268481293,136.7977408490764,159.71934316774224,182.19360264112524,204.243227739959,225.46420503564784,295.8200193134413,350.4838289466299,346.87978041030357,426.5142597656219,541.3817075367385,675.599415520977,796.8162278085185,916.6481765990935,1036.2511754857676,1152.7620570238544,9.032436675711097,15.248052093486647,19.978367359276753,25.149952259680823,32.77724012048673,39.65622421906548,48.018329445072986,55.5235894386939,63.89701744558624,71.6081709265119,2.2136340626525968,2.881341723273045,3.0321779279428314,3.766805764984553,4.7915767680531856,5.9479701569831676,7.0610559331454,8.143290499098244,9.249493715340938,10.317739740453723,176.6928687083753,325.72374214088046,463.1466742685788,583.608676864508,768.793411512941,921.1350784333268,1122.3483711517115,1297.73043839104,1499.2504424483375,1681.5783005101507,2.258229491806579,3.36526700369138,3.9845837860293023,5.015562982019388,6.465110264813773,7.925528327831631,9.517236770434062,11.005660893079302,12.602245600950537,14.112255629975902,0.4579048785742892,0.6065843037058817,0.6465336226268852,0.8044214494764557,1.024202625205083,1.2697112968774957,1.509273704426745,1.7412233731150861,1.9795474622784826,2.2091480115209214,698.8576268668673,733.8017602347368,18.240216370561253,90.3519756427781,-94.86973629320768,-4.834973860109621,608.5056512240892,828.6714965279444,23.075190230670874,0.885515868844647,0.9297932487152781,0.023112005115698425,0.11448413115535276,-0.12020854281489585,-0.006126349508083345,551.5451499104347,579.123395515735,14.395353911500578,71.3066467829981,-74.87210687015734,-3.815807798281641,0.028456476273284313,0.06206263098362435,0.5004648556388189,0.5855358151367024,789.2096025096457,0.0,1.0,0.0,1303.7008658187206,36.10679805547316,10.924275681390823,1691.1823090902271,41.12398702813514,11.914161304243299,2362.1246848500105,48.60169425904832,13.317854710854535,2.184146215885209,2.184146215885209,10931.838325204422,10802.721233303202,337.68937374703273,1.0119522747197411,32.37246764357352,31.99011302439044,8.75162912805786,10.582349022805118,20.363988928365035,0.9243354083748645,11.156642142703372,18.2900863070541,11.778029151772479,69.62539829815836,40.221218843353434,9.181856063248663,21.780797233127906,16.501017116353605,52.859619766282805,8.978409563270151,6.560963018027955,49.23854298497437,7.973277713187154,54.565434205033135,10.172889989710123,5.460391192089726,29.92952109843349,10.647878446775543,42.91632190860527,9.112982033335173,8.912159157486007,20.880806416936398,8.285804727145107,33.26240747744614,8.341565074290335,9.117611319333292,10.835485997212576,8.972985352988712,18.830500127822486,8.1949007689925,0.9368675868709434,16.962190496497335,0.8817633055125665,16.791232139006283,1.1635356203629343,1.5479108991162238,3.154540697764218,1.9110436396378643,12.38424928709261,0.879913480272861,1.0482922649431867,3.3432000482192588,0.35704577792195064,11.043394575171915,2.3246822845405686,0.9772437757629387,2.1764865694853324,1.3071984905078422,7.636907064568473,2.803573488206551,0.9470954675975424,1.0540126566882886,0.5541926409548792,5.069454231785692,1.6929693296096577,1.32378340984885,0.37887136891678197,0.6562608632030171,2.510436136395217,1.2934944230889172,3.0229414445812868,17.050924840980766,2.892326835725976,20.554673454950763,5.16069494417106,2.8070940151061987,5.802707200670263,3.829350285544179,17.527251851728675,1.9260385958461843,1.5868299840754347,10.982691780477984,1.233820413515873,17.78983401631483,3.374768711458735,1.4694814873007354,5.6299292710215,2.334124568181786,13.290433556692529,3.619688585259775,1.947154108963667,2.8747068905471163,1.3598767423284908,9.529732651982613,2.729217547088231,2.372162618499264,1.2667669800893568,1.6510986170498638,4.827367682357092,2.385879655128802,10.53099486501703,18.144295584906587,11.035404152683714,63.90708232656149,36.423789557886806,8.608711114886598,20.232317405048295,15.232900897974247,49.27838893810737,8.267906423581861,6.015920612063635,45.81729690782871,7.267212799608952,51.14492720022501,9.497184370317184,5.03633933951226,27.448129444122202,9.764837928670293,40.20899724360751,8.559828071607612,8.20316319542322,18.879405855128915,7.5391950895938855,31.078502310216255,7.8210289518327,8.448557673856055,9.754361223057163,8.215220086693776,17.472557101882344,7.660491381244111,4.454965752009946,17.165972026502057,4.335936929197472,25.22287926059232,9.084982177355437,3.760283182187499,7.9631923030038765,5.460889558635814,21.983822939843776,2.8243868857702363,2.1307273433757095,16.740257956709833,2.036969580406647,23.055672704289805,4.259490682872239,1.932945582682192,8.657262412165467,3.300279999980044,17.630962520055167,4.320004203719759,2.819470248493937,4.785613840995566,2.1423256796672985,12.975939108631216,3.5358429765503283,3.252923704305236,2.246397774389308,2.5426943738244,6.719047525897786,3.229695449274915,13.473132407915651,18.903116242722206,14.613431843519278,93.6179692950583,55.87819040399238,11.424082121654761,27.97759440537494,21.621983838268015,67.37208534245926,11.852880201752447,8.814679254108981,62.600264631712925,10.85979845767785,68.08854831089658,12.896408621899097,7.200320243423744,40.00532075718698,14.270736497861103,53.56202184486231,11.350560608517418,11.788612980735403,29.185373461760022,11.360459761644986,41.868396304694166,10.397762497364786,11.81272780347721,15.339102180147622,12.06093993425561,24.265788264111844,10.300643860571379,7.437022672884623,17.266851264112905,7.297117528274681,39.67736186404212,19.769135722474235,5.847087614708984,13.133062726124072,9.470492655422511,33.26787652673028,5.053884020018007,3.6379047446771593,29.676753019620538,4.143542579235032,35.33017212180562,6.388060430772087,3.1565177962650544,16.38996418401999,5.864617902946017,27.717580081170986,6.010679483507287,5.011642447179068,10.281742132759275,4.276273171652411,21.12290488830787,5.345702438743977,5.3913534120311155,5.143762972602203,4.837348489294336,11.569203786550167,5.118581631809489,39.60001733495071,1.3597988756176296,0.8283844142002591,0.9476363361642112,0.032540259099159516,0.5838027839718676,0.4711124233217592,0.3964310493447493,41.78820062476859,87.77853240384654,174.17362587767482,0.9214545042463167,1.4513462566383761,38.218956592551585,0.8328266893251683,0.3719548197484113,0.969440201079666,0.021125005629307303,0.543820799733744,0.17655968970399177,0.0796505059598959,39.42373810162516,46.35526609990154,97.61823948154023,0.9541603016194988,0.8000309953976316,38.767423735631674,1.041943448777837,0.5534586837108583,0.960473477806003,0.025814432621299482,0.5595281042769179,0.2764819526805531,0.1767727979583874,40.36282586812037,62.42630314858136,125.14524198288764,0.9407102167090045,1.0127828549158584,39.56582164833489,1.3467360551929122,0.8171054911179509,0.9481462015109554,0.03227287143227432,0.5827955706797412,0.46209890214788796,0.3857112983096466,41.72966319464575,86.71459412237745,171.98349345091188,0.9222193022664332,1.430605771137276,39.0119175606169,1.1352369148492683,0.6342614624836697,0.9566101780275289,0.0278371137622236,0.566602616825699,0.3282641859471449,0.2322940967496736,40.78141593794984,69.7515618460357,138.62300287811993,0.9349152670412935,1.1271608995225175,39.707076345594224,1.4006995774415274,0.8636897666472161,0.9460493145311969,0.033372662937187686,0.5869618046270216,0.4998963049308048,0.43092557440730556,41.97146568968297,91.1220504530651,181.12994157256566,0.9190739717967953,1.517783683965132,39.62641284474075,1.3500630096081618,0.8197603497888379,0.9480856757340702,0.03230106660834949,0.5845799719417963,0.4642406068050605,0.3882113717972858,41.79623620413775,87.08904436462116,172.74094615663154,0.9221285136011053,1.4370319505441427 +UMLCN0230,L,3-cyclohexylhexane,CCC(C1CCCCC1)CCC,Naphthenes,,C12H24,NREL (2014),Unknown,UML,,36,0,-1.1827999999999994,1.3990158399999986,45.3164,37.12303199999997,0,0,36,12,24,0,12,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1755.5549879999974,2021.739563999999,2566.6344620000023,2666.7107180000003,2416.5358679999986,1964.6096489999943,1139.4055719999947,424.0859290000011,82.888848,5828.212687334278,7835.8816138843995,11412.820166826477,12940.500964684721,12499.844499159477,11155.239283325103,8160.443949398385,4126.616089904776,1257.5254593330578,251.72932800000018,261.3093600000001,512.8015280000003,736.9058480000018,756.6146400000019,753.3501480000017,685.1812000000009,471.98025999999965,183.39436800000007,44.137509716376044,60.19186344000002,94.26513030788584,112.9509445988087,111.60300333850672,103.23227924275172,81.48894497699688,45.73227422760105,15.349205456678009,5959.555921661977,5196.473418189601,11101.360212967087,17012.8721038992,17588.486338906394,17826.44643533184,16738.959985586996,12097.087711823304,4833.801083097978,53.55555555555556,65.69444444444444,111.25,146.75000000000003,152.33333333333337,153.16666666666669,134.25,83.5,30.5,48.76541633333326,56.15943233333331,35.64770086111114,25.397244933333337,22.3753321111111,18.19083008333328,11.509147191919139,6.146172884057987,3.069957333333333,161.8947968703966,217.66337816345555,158.5113912059233,123.24286633033067,115.7393009181433,103.28925262338059,82.42872676159985,59.80603028847502,46.57501701233547,6.992481333333338,7.2585933333333355,7.1222434444444485,7.0181509333333505,7.005691111111129,6.975464333333349,6.9210222222222315,6.8402936231884,6.792384000000003,1.2260419365660011,1.6719962066666672,1.3092379209428588,1.0757232818934162,1.0333611420232105,0.9558544374328862,0.8231206563333018,0.662786583008711,0.5684890909880744,165.54322004616603,144.34648383860002,154.18555851343177,162.02735337046857,162.856354989874,165.05968921603557,169.08040389481815,175.32011176555514,179.02966974436956,1.4876543209876543,1.8248456790123457,1.5451388888888888,1.397619047619048,1.410493827160494,1.41820987654321,1.356060606060606,1.210144927536232,1.1296296296296295,0.04909721360692359,-0.003539721750739388,-0.016908807201622782,-4.804992432952879E-4,-0.003253821634413634,-0.0066462163249210275,-0.010972030118850852,0.007036475280177954,0.006586052151554454,968.5280719999993,-1.7266188478970435E-12,-242.13201800000178,-40.355336333334165,-201.7766816666677,-242.13201800000076,-201.77668166666658,201.77668166666837,161.4213453333342,1801.0193075137793,6.110667527536862E-13,-450.2548268784445,-75.04247114640714,-375.2123557320391,-450.25482687844766,-375.2123557320407,375.21235573203705,300.16988458562986,0.1897279999999998,2.7217811338076103E-15,-0.04743199999999721,-0.007905333333332334,-0.03952666666666599,-0.047432000000000196,-0.03952666666666835,0.0395266666666638,0.031621333333331815,8.051394278792,2.2815083156046967E-14,-2.0128485696979768,-0.3354747616163243,-1.6773738080816596,-2.012848569698,-1.67737380808168,1.6773738080816432,1.3418990464653207,43.73530150759196,-5.715428130770306E-13,-10.933825376898561,-1.822304229483187,-9.111521147415104,-10.933825376897914,-9.11152114741462,9.111521147415578,7.289216917932297,2.9876543209876507,-0.6759259259259252,-0.9475308641975289,0.1162551440329237,0.23456790123457016,0.08024691358024943,-1.0586419753086442,0.2736625514403302,0.2777777777777773,0.0013638114890812108,-9.832560418720522E-5,-2.3484454446698309E-4,-4.5761832694789324E-6,-3.0127978096422538E-5,-6.153904004556507E-5,-1.1082858705909951E-4,1.0197790261127469E-4,2.4392785746497978E-4,26.903557555555537,-4.796163466380676E-14,-3.362944694444469,-0.3843365365079444,-1.868302608024701,-2.2419631296296365,-2.0381482996632987,2.9242997342995416,5.978568345679044,50.02831409760498,1.697407646538017E-14,-6.253539262200618,-0.7146902013943537,-3.474188479000362,-4.169026174800441,-3.790023795273138,5.437860228000537,11.117403132801106,0.005270222222222217,7.560503149465585E-17,-6.587777777777391E-4,-7.528888888887937E-5,-3.6598765432098137E-4,-4.39185185185187E-4,-3.992592592592762E-4,5.728502415458522E-4,0.0011711604938271043,0.22364984107755553,6.337523098901935E-16,-0.027956230134694122,-0.003194997729679279,-0.01553123896371907,-0.01863748675646296,-0.01694316977860283,0.024309765334516568,0.04969996468390076,1.2148694863219989,-1.587618925213974E-14,-0.1518586857902578,-0.017355278376030354,-0.08436593655013985,-0.10123912386016587,-0.09203556714560222,0.1320510311219649,0.26997099696045546,0.08299039780521252,-0.01877572016460903,-0.013160150891632345,0.0011071918479326067,0.0021719250114312053,7.430269775949022E-4,-0.010693353285945902,0.003966123933917829,0.010288065843621382,-0.0720961840946555,-0.1721972181252088,-0.00335543680788455,-0.022091013558420396,-0.04512283445201319,-0.08126386083883474,0.07477419234822286,0.17885745898013522,-1.7827246290668638E-15,-0.125000000000001,-0.014285714285714589,-0.06944444444444485,-0.08333333333333365,-0.07575757575757577,0.10869565217391404,0.22222222222222354,3.3928939584619694E-16,-0.12499999999999992,-0.014285714285714223,-0.06944444444444477,-0.08333333333333387,-0.07575757575757644,0.10869565217391297,0.22222222222222224,1.434570086548961E-14,-0.12499999999999278,-0.014285714285712495,-0.06944444444444332,-0.08333333333333376,-0.07575757575757905,0.10869565217390527,0.22222222222221177,2.833681020459236E-15,-0.12499999999999857,-0.014285714285713902,-0.06944444444444416,-0.08333333333333333,-0.07575757575757637,0.10869565217391153,0.22222222222222013,-1.3068226201157368E-14,-0.12500000000000652,-0.014285714285715767,-0.06944444444444531,-0.08333333333333276,-0.07575757575757266,0.10869565217392003,0.22222222222223148,-0.2262396694214876,-0.15857438016528913,0.013341204250295394,0.02617079889807191,0.008953168044077428,-0.12885048835462104,0.04779015450952233,0.12396694214876028,1.5341074007504976,1.3026271321058382,0.9567922959184478,1.007559995756186,1.0527378067402595,1.0122503689800633,0.6606860724659238,0.45116964509604873,1.4583333333333353,1.3368055555555576,1.0416666666666683,1.073495370370372,1.0329861111111127,0.9280303030303044,0.6023550724637688,0.4050925925925929,1.4583333333333341,1.3368055555555562,1.0416666666666672,1.073495370370371,1.0329861111111116,0.9280303030303035,0.6023550724637686,0.40509259259259306,1.4583333333333326,1.3368055555555547,1.0416666666666667,1.0734953703703705,1.0329861111111112,0.9280303030303025,0.6023550724637678,0.4050925925925925,1.4583333333333337,1.3368055555555547,1.0416666666666656,1.0734953703703691,1.03298611111111,0.9280303030303027,0.6023550724637683,0.4050925925925926,1.4583333333333337,1.3368055555555547,1.0416666666666659,1.0734953703703696,1.0329861111111103,0.9280303030303025,0.6023550724637682,0.4050925925925925,1.7626549586776878,1.0982696280991746,0.7608471074380173,0.8557162534435269,1.0741649449035824,1.2868613824192352,0.8064588573481863,0.5965909090909098,71.23988704119819,35.61994352059909,51.42474462659159,71.23988704119817,5.936657253433181,35.61994352059909,-2.1316282072803006E-14,0.07459655642621549,0.006216379702184624,-3.114793120013215,62.31885078000077,5.193237565000064,4.958716752916157,71.23988704119819,35.61994352059909,51.42474462659159,71.23988704119817,5.936657253433181,35.61994352059909,-2.1316282072803006E-14,0.07459655642621549,0.006216379702184624,-3.114793120013215,62.31885078000077,5.193237565000064,4.958716752916157,71.23988704119819,35.61994352059909,51.42474462659159,71.23988704119817,5.936657253433181,35.61994352059909,-2.1316282072803006E-14,0.07459655642621549,0.006216379702184624,-3.114793120013215,62.31885078000077,5.193237565000064,4.958716752916157,71.23988704119819,35.61994352059909,51.42474462659159,71.23988704119817,5.936657253433181,35.61994352059909,-2.1316282072803006E-14,0.07459655642621549,0.006216379702184624,-3.114793120013215,62.31885078000077,5.193237565000064,4.958716752916157,71.23988704119819,35.61994352059909,51.42474462659159,71.23988704119817,5.936657253433181,35.61994352059909,-2.1316282072803006E-14,0.07459655642621549,0.006216379702184624,-3.114793120013215,62.31885078000077,5.193237565000064,4.958716752916157,71.23988704119819,35.61994352059909,51.42474462659159,71.23988704119817,5.936657253433181,35.61994352059909,-2.1316282072803006E-14,0.07459655642621549,0.006216379702184624,-3.114793120013215,62.31885078000077,5.193237565000064,4.958716752916157,81.95803560250727,40.785300208692085,59.979346681228044,81.83457881238378,6.819548234365316,40.785300208692085,-0.18518518518521887,0.04366529514218548,0.003638774595182123,-3.757441984679942,57.93566711742653,4.827972259785544,4.871199848774385,0,11.889999999999995,12.11019763308084,-0.1703853485737229,0.05005197852518012,5.444338159876732,9.92726812562115,12.0,36.0,36.0,36.0,12.0,0.0,0.0,0.0,0.0,0.0,26.236967999999994,3.692458586529629,3.3672084235934285,3.061935992970731,2.750129471945504,2.750129471945498,2.382820508684778,1.878351514257015,1.4567974870365537,2.0275878091930752,1.818350643755899,1.6448183141856743,1.3728744165178637,1.3728744165178621,1.1742163144713855,0.8951199779521244,0.6662064014268081,3.7146431786962815,3.397748615823813,3.1027367036620226,2.792995693681244,2.7929956936812417,2.4409600299561895,1.9576443639776415,1.5561429069408657,1.9775273471208594,1.7528308018259988,1.5633915568277275,1.2852290050479294,1.285229005047929,1.069530310825131,0.7680661206907059,0.522081791788306,3.812737683881078,3.532046243615974,3.280433454183911,2.9815376553220254,2.9815376553220228,2.690414434841511,2.289773090763511,1.9628467004754986,1.8324498931043087,1.5588224526375574,1.3154198070891505,1.0189282736728762,1.0189282736728729,0.7385849420985232,0.3522794338507712,0.03761922851939977,3.731011943702037,3.420254135642041,3.132730938414703,2.824624263979156,2.8246242639791537,2.4835425615702578,2.015304468250862,1.6278737503491432,1.9458537043472859,1.7109802336943811,1.510761888982193,1.2285965048401601,1.2285965048401601,1.0008405648987697,0.6836099057128435,0.4253470184701715,3.8609140667820365,3.5973294272020877,3.3654283581848246,3.072480534273647,3.072480534273647,2.806819850414956,2.4399193016052387,2.141548493917959,1.7877858887552165,1.4980369105282914,1.2357612834398919,0.9339036709558712,0.9339036709558712,0.6284142329567887,0.20853539008846936,0.13516428868843913,3.7151825753475167,3.4700087470972916,3.2769876039498036,2.907589264230437,2.8645145304643016,2.601951753171647,2.1602766908080397,1.7682016474624667,1.942114976336133,1.6459311416715063,1.3610946377888122,1.1507719957676683,1.1205070892610036,0.8439316468407971,0.5055233838096955,0.2573716733214423,0,0,0,0,0,2,8,2,0,0.0,0.0,0.0,0.10206207261596577,0.05892556509887897,0.0,0.0,0.0,0.10206207261596577,0.05892556509887897,0.3333333333333333,0.0,0.08333333333333333,0.0,0.3333333333333333,0.0,0.08333333333333333,0.0,0.9916245780509721,1.5892556509887894,1.7862524035453664,0.9916245780509721,1.5892556509887894,1.7862524035453664,8.811554787871634,5.8805400575618805,4.355093176799812,3.5003399224114657,2.749521863829596,1.9545677683854243,0.8047378541243649,0.4857022603955159,0.7342962323226362,0.4900450047968234,0.31107808405712944,0.20590234837714505,0.14471167704366295,0.10287198780975917,0.06706148784369707,0.04857022603955159,8.811554787871634,5.8805400575618805,4.355093176799812,3.5003399224114657,2.749521863829596,1.9545677683854243,0.8047378541243649,0.4857022603955159,0.7342962323226362,0.4900450047968234,0.31107808405712944,0.20590234837714505,0.14471167704366295,0.10287198780975917,0.06706148784369707,0.04857022603955159,18.50193364543048,34.65404224326293,32.70588235294119,33.11999999999999,21.582653892215586,276.33906107784435,0.5139426012619578,0.9626122845350813,0.9084967320261441,0.9199999999999997,0.5995181636726552,7.676085029940121,4.393000000000004,55.264000000000046,53.99766357184835,77.63248739206527,107.9953271436967,8.999610595308058,53.99766357184835,0.30212429853421197,0.025177024877850996,-1.4363001140815006,51.23386420906142,4.269488684088452,4.723680868491935,127,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,8.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.694859930083144,0.0,11.83384377362056,0.0,0.0,0.0,2.1379629629629626,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.324887329931973,0.0,1.383935185185185,0.0,0.0,0.0,1.0512037037037034,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3699726001511716,0.0,1.5262962962962963,0.0,0.0,0.0,1.0867592592592592,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.666666666666664,1.5555555555555554,0.2,2.3699726001511716,0.2,1.0512037037037034,8.640726447940287,0.28212962962962973,0.36997260015117167,1.5142739040060471,0.28212962962962973,0.36997260015117167,1.5142739040060471,6.0,0.5,0.0,0.0,0.43333,0.7,0.43333,0.43333,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.16667,0.16667,0.0,6.0,0.5,6.0,0.5,0.0,0.0,-6.0,-0.5,0.0,0.0,14.94031,1.24503,14.94031,0.0,0.0,5.88053,0.49004,5.88053,0.0,0.0,0.03347,0.00279,0.11947,0.00996,0.16666666666666666,12.0,0,0,0,0,0,0,1.0,0.9182958340544896,1.3355055565170972,2.44035104292869,3.2873017372529416,3.7289721408610004,3.728972140861001,33.058650025961626,48.0782000346155,87.85263754543284,118.3428625411059,134.242997070996,134.24299707099604,0.177622660637882,0.25832203680798393,0.47202832579735254,0.6358509526416429,0.7212816703957382,0.7212816703957383,4.251629167387822,3.834419444925215,2.729573958513622,1.8826232641893705,1.4409528605813118,1.4409528605813113,0.177622660637882,0.25832203680798393,0.47202832579735254,0.6358509526416429,0.7212816703957382,0.7212816703957383,6.732876570223358,11.73939323977465,16.286446513890876,19.582730172945084,20.258352647843086,19.417180274483716,47.39850002884626,38.065166695512914,31.61988543489589,25.199834036311458,22.648119039080647,23.96048327513167,10.083333333333334,5.612244897959184,3.114186851211073,6,0,6,2.7800000000000002,1.6908000000000012,0.19999999999999996,4.28061376447972,1.3731780959380786,0.0,10.410354824276498,8.232093536434132,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.10699999999999998,0.10400000000000001,0.199,0.218,5.662,14.0,17.0,19.0,19.0,12.0,10.0,6.0,2.0,0.0,123.0,2.5649493574615367,2.70805020110221,2.8903717578961645,2.995732273553991,2.995732273553991,2.5649493574615367,2.3978952727983707,1.9459101490553132,1.0986122886681098,0.0,4.820281565605037,1.0,0.42857142857142855,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.3333333333333333,6.0,0.5,1,4.0,7.0,0.75,1.5,1.1111111111111116,0.5625,0.2711111111111112,0.18055555555555555,0.10040816326530613,0.027777777777777776,0.0,0.0,0.0,0.125,0.0793650793650794,0.04017857142857143,0.022592592592592598,0.020061728395061727,0.025102040816326533,0.027777777777777776,0.0,0.0,0.0,0.34007779037540947,35.61994352059909,51.42474462659159,71.23988704119817,5.936657253433181,35.61994352059909,0.07459655642621549,0.006216379702184624,-3.114793120013215,62.31885078000077,5.193237565000064,4.958716752916157,0.0,203.75181551040015,4.584962500721156,3.970291913552122,4.74493212836325,5.541263545158426,6.340359303727752,7.1459844677143876,7.951207156472972,8.758883680017025,9.565844630930576,10.373959821952903,88.3927266478894,3.2188758248682006,0.0,4.394449154672439,0.0,5.802118375377063,0.0,7.311218384419629,0.0,8.867145589594143,9.109082539901955,168.187800768,4.671883354666666,23.546627627363613,1.9622189689469678,0.0,0.0,0.0,206.0,14.0,6.7059999999999995,52.0,1.2326663068867836,2.116780971116209,2.8423681450776135,3.543683951196083,4.068022502641999,4.693610671676274,5.373394148019232,6.471515416193049,7.588448160379818,0.0,79.76900276333807,84.03450798446876,78.03960805322711,85.55568882675308,82.26501976718573,60.902196288812775,37.67264129899553,21.126371977158644,7.71034899162816,0.0,292.94004343240147,358.87704460484633,369.74214096808373,425.89492736247524,446.629473143562,410.9570983327252,343.65451418746704,310.90753686073634,235.87738324460918,0.0,8.981160081740708,15.12449082924638,20.00323021089533,24.853020439609335,28.44774517954448,32.556917813126994,36.84249417871897,44.00233285767013,50.98271578137803,0.0,2.19466914129655,2.910334253508852,3.1845684962011513,3.751518971922141,4.0585116106445795,4.023748213621003,3.7249642207816867,3.754925586123469,3.373921979882521,0.0,175.8306488397399,322.9748821226255,456.4195494492879,575.2923853552556,666.1630189745307,788.1336307013344,935.2785177571345,1154.9837649895185,1403.2380163251673,0.0,2.302613196220842,3.3449834265691596,4.050102493922147,5.040515681468035,5.8744744204695065,6.469950141281637,6.6542106932761165,7.399284225614644,7.588448160379818,0.0,0.454079797623816,0.6113873844749739,0.6769943658762937,0.8007455793170806,0.8707018837079579,0.8739594444293527,0.8228955321506665,0.8432078608923399,0.7770570916228934,0.0,408.328766949721,253.6641106715353,10.505963247153455,87.89898082894702,-54.605059955657424,-4.804225341057833,320.429786120774,308.2691706271927,15.310188588211288,0.8228656474322099,0.5111848577735658,0.021171656148175372,0.17713435256779014,-0.1100403195913439,-0.00968149274715822,202.62406437670066,125.87517033081474,5.213350480380421,43.61791328878869,-27.096545919115016,-2.383989920814332,0.048495696398855336,0.10488759655111182,0.846458243758157,0.9697805991060855,496.227747778668,0.0,1.0,0.0,807.0483126495209,28.40859575286186,9.31036079924245,1039.5371786124238,32.24185445368215,10.130090892635152,1579.3639022578013,39.74121163550252,11.64556961529438,1.5453128910200242,1.5453128910200242,946.1905984959027,805.9762549084803,328.35708034488584,1.1739683306220279,2.881590363460666,2.4545724857278333,4.8528536699857545,4.837970498543972,8.190537082743864,0.692969621292415,6.723880098800219,11.149162899696854,11.2772560913812,24.58062806371727,27.269953634430998,16.987356332574688,18.71304839903566,30.211909451027477,17.80356262107866,15.723941817783855,11.132056079927628,10.548809239221011,6.9127302849451615,1.717652167921078,2.154574736083659,6.954653699736472E-5,3.497145787561893E-29,3.402698549704582E-75,6.385714624641426E-143,2.311380480164349E-232,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5625773474656142,9.405809792521817,0.83297162109709,10.79578306991574,1.6967467921197756,3.656035695587659,2.3050676822628495,3.607691424726653,3.555890584313012,1.0741749161507979,1.2991907918729664,0.6057700983367329,0.20006546452092516,0.13450038229898362,0.015174846035749895,4.898219465648733E-7,2.463068372692118E-31,2.3965484108186795E-77,4.497511023112716E-145,1.6279241712481714E-234,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8161887804044,9.568557171587251,2.7392674743882144,12.194371672335544,4.972529101499428,5.721937502997146,4.415802870848648,7.147489111808135,5.508282788913356,2.7981570237585687,2.490913133973534,1.9814715104135305,0.8962667117461454,0.4405424622026675,0.15813359555956072,5.104322337911848E-6,2.5667071479149123E-30,2.4973882189267712E-76,4.6867532460060083E-144,1.6964225000539357E-233,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.345259699792529,10.974120802591912,10.558052808448746,23.236081630028885,25.01656743164275,15.939397252721896,17.270429146959682,27.91435465637567,16.593178245996608,14.37910173969573,10.24164241512935,9.708780706728506,6.2633480306865,1.6146787547985035,1.9196872998728547,6.196471238061998E-5,3.1158939357049607E-29,3.031743147158954E-75,5.689556765071109E-143,2.059398394789812E-232,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6779538265912985,9.737615954457965,4.114866690869214,13.574658744718601,7.798540342411456,7.334687932371188,6.23248778936614,10.138834367938902,7.132353868878718,4.35762152197521,3.5510949050591334,3.1199993508335284,1.5743106296946947,0.6557119451402403,0.3434873004142309,1.1087270191325176E-5,5.5752309056916244E-30,5.424660929074666E-76,1.0180254325356113E-143,3.6848563573349624E-233,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.127364515554502,11.8748318554944,14.030762290392724,30.127326640094044,36.39418826751143,21.130697198967653,24.55188690035109,39.47816513526611,22.669017478725692,21.21194040416128,14.756373476308791,13.921706462162048,9.58782861101726,2.105790224806457,3.1422447622551504,1.0142708811772197E-4,5.10025846389736E-29,4.962516043782439E-75,9.312964640535215E-143,3.370931203146683E-232,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.469513454817572,9.63035951903633,6.658492843000146,16.503370165878167,13.935155922545867,10.617596554172225,10.614761523818592,16.681458825239343,11.327953874578665,8.3182929118288,6.280458254291539,5.918914534388581,3.4625102811252093,1.172494584701627,0.8904109878715657,2.874117090197216E-5,1.445249024451599E-29,1.4062172577860775E-75,2.638994309163039E-143,9.55213361700573E-233,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.9862446196545385,2.032107760142334,1.0256686759022462,0.6198696628375715,0.25262337655153244,0.5119940012364197,0.5535153974998127,0.44882144985691264,8.044021055699119,17.331090577969583,35.7677880952193,0.4298044942563572,1.5143308485931453,4.248304416430832,1.392997318898555,0.5638257844374638,0.6846441757880999,0.2244913282541041,0.3731513038802644,0.26173219278111304,0.13585281330550772,6.205127519766851,9.098588038123557,18.64036700902024,0.5269662636821498,0.7707363099668851,4.541045817419276,1.646889985578036,0.7475405409011544,0.6547561540476297,0.2374588137737502,0.42560664332018316,0.36495841804361373,0.23882224385549708,6.935476343898467,12.104335757993063,24.630370944558916,0.48213423107144454,1.029387305219294,4.967941821021116,2.0162910701030836,1.0142623417677676,0.6211095557813926,0.2520837996891655,0.5082849802917999,0.5450213827502403,0.4389413747043827,7.998495232891966,17.100661138119623,35.25883636516384,0.43166433367208884,1.4922477377464227,4.671682980519276,1.7600353552574513,0.8293045397672233,0.6433918554717819,0.24239496079615372,0.4501278518114262,0.4163658769670932,0.29383499983638334,7.261022875543951,13.556180428632162,27.63601659042051,0.4650877832076729,1.1603287286149029,5.043556046018774,2.0816236937872987,1.0613705122472528,0.6160783102447536,0.2542736109468322,0.523695473438535,0.5805209742956879,0.4804409763557249,8.186550252053326,18.061241436628585,37.390893315473036,0.4241174653671304,1.5846574240899478,4.980675657623089,2.0231446123162824,1.0162318889734863,0.6210278385892984,0.25226077988382134,0.5107339593658744,0.5484138620256533,0.44053712923797644,8.020052158912858,17.19413262536629,35.454374599372414,0.4315417578839477,1.4996849506295042 +UMLCN0231,L,tert-butyldecalin,CC(C)(C)C1CCCC2CCCCC12,Naphthenes,,C14H26,NREL (2014),Unknown,PubChem,,24,0,1.0680999999999985,1.1408376099999968,54.847300000000004,41.97661799999997,0,0,40,14,26,0,14,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2046.115357999997,2478.746103000001,3746.9937340000056,4004.381325000008,3552.7121460000058,2652.7526040000025,1166.7584909999932,244.60228800000004,18.289152,6737.4139796947975,9335.905551873431,15092.59610242402,18775.823346564273,18206.02308113181,15124.610993585584,9663.675482498857,3648.241400275465,559.5073997567447,280.24728800000014,298.1661720000001,600.7978480000011,915.0800520000009,1132.3273680000025,1005.6643680000026,864.2283960000025,523.3092479999997,120.93235199999997,50.604535526074045,70.78565205999999,119.69264473758379,158.76174332547023,163.05645087427945,139.64983320578887,99.40070167488271,44.26916475063801,8.003032287282004,6582.979937890475,5883.101581885402,12791.79546116138,20153.769760223608,26589.397686383254,23673.209934175,21191.60587810414,13761.73264119694,3328.517736436482,60.645833333333336,74.97222222222221,132.8194444444444,199.58333333333334,224.79166666666677,205.04166666666663,167.0,87.5,18.0,51.152883949999925,60.45722202439026,44.60706826190483,31.04171569767448,21.930321888888926,18.42189308333335,9.334067927999946,3.1766530909090913,1.016064,168.43534949236994,227.7050134603276,179.67376312409547,145.54901819042072,112.382858525505,105.03202078878877,77.30940385999085,47.379758445135906,31.08374443093026,7.006182200000003,7.2723456585365875,7.152355333333346,7.093643813953496,6.989675111111127,6.9837803333333515,6.91382716800002,6.796223999999996,6.718463999999998,1.265113388151851,1.7264793185365852,1.424912437352188,1.2307111885695368,1.006521301693083,0.9697905083735338,0.7952056133990617,0.5749242175407534,0.4446129048490002,164.57449844726187,143.4902824850098,152.28327929954025,156.23077333506671,164.13208448384725,164.3972912095486,169.5328470248331,178.7238005350252,184.917652024249,1.5161458333333333,1.828590785907859,1.5811838624338619,1.5471576227390182,1.3876028806584368,1.4239004629629628,1.336,1.1363636363636365,1.0,0.05166937131282071,-0.004694349575329014,0.0033722597347967485,-0.027753083551265104,0.00503764389800117,-0.012299144382753464,-0.019599440494700544,0.018876786812694956,0.011224641902144917,1101.7006819000012,51.150388802498384,95.64214710999806,-629.2405817775013,-36.925132744998606,-437.04829248999783,-367.73800233749637,506.358582642502,266.9505498450007,2048.659462296929,95.11633217807136,177.85065661698607,-1170.099731350358,-68.66386109896018,-812.7099625155931,-683.8245183216383,941.5954067095485,496.40594663348594,0.21581559999999966,0.01002001000000332,0.01873564000000377,-0.12326390999999615,-0.007233380000000536,-0.08561476000000037,-0.07203735000000289,0.09919216999999501,0.05229377999999838,9.15846099212591,0.4252142603487314,0.7950751850307448,-5.230890220502639,-0.30695940687893586,-3.6331916683048706,-3.057013765228838,4.209369571380902,2.219165548092032,49.74890546488584,2.3097706108690357,4.318861023873932,-28.41427869821436,-1.6674083699768527,-19.73555480530073,-16.605747291163176,22.865362319438848,12.054542478030337,3.6442708333333336,-1.494926215277779,1.8352256944444398,-2.5657942708333357,0.8292447916666678,-0.30322916666666755,-1.6544921875000065,0.8561328125000026,0.6757031250000007,0.0012917342828205178,-1.1449633110558571E-4,4.0145949223770816E-5,-2.1514018256794655E-4,3.109656727161216E-5,-8.541072488023239E-5,-1.5679552395760435E-4,2.4515307548954486E-4,6.235912167858287E-4,27.54251704750003,1.2475704585975216,1.1385969894047387,-4.877833967267453,-0.22793291817900374,-3.0350575867360963,-2.941904018699971,6.576085488863662,14.830586102500039,51.21648655742323,2.3199105409285696,2.1172697216307865,-9.070540553103552,-0.4238509944380258,-5.643819184136063,-5.470596146573106,12.22851177544868,27.578108146304775,0.005395389999999991,2.44390487804959E-4,2.230433333333782E-4,-9.555341860464818E-4,-4.465049382716381E-5,-5.945469444444471E-4,-5.762988000000231E-4,0.0012882099999999353,0.00290520999999991,0.22896152480314774,0.010371079520700766,0.009465180774175533,-0.040549536593043715,-0.0018948111535736782,-0.0252304976965616,-0.024456110121830705,0.05466713729066107,0.12328697489400178,1.2437226366221459,0.05633586855778136,0.05141501218897539,-0.220265726342747,-0.010292644259116374,-0.1370524639256995,-0.13284597832930542,0.29695275739530974,0.6696968043350187,0.09110677083333334,-0.0364616150067751,0.021847924933862378,-0.01988987806847547,0.005118795010288072,-0.002105758101851858,-0.013235937500000051,0.011118607954545489,0.03753906250000004,-0.08863768085149955,0.031079107954084518,-0.16655142271070278,0.024073501559246705,-0.06612097086541438,-0.12138372886971721,0.18978599449590366,0.48275502561115713,0.04529616724738528,0.041339612768183306,-0.1771019677996424,-0.008275674942341287,-0.11019536019535954,-0.10681318681318563,0.23876123876123945,0.5384615384615393,0.04529616724738659,0.041339612768184174,-0.1771019677996417,-0.008275674942341268,-0.11019536019535994,-0.10681318681318656,0.2387612387612383,0.5384615384615377,0.04529616724740184,0.041339612768192584,-0.17710196779963697,-0.008275674942342236,-0.11019536019536086,-0.10681318681319127,0.23876123876122715,0.5384615384615227,0.04529616724738979,0.04133961276818596,-0.17710196779964074,-0.008275674942341354,-0.11019536019535948,-0.10681318681318672,0.23876123876123623,0.5384615384615348,0.045296167247373745,0.04133961276817681,-0.1771019677996467,-0.008275674942341162,-0.11019536019535944,-0.1068131868131827,0.23876123876124855,0.5384615384615522,-0.4002075221552562,0.2398057217265443,-0.21831393963969076,0.05618457292984478,-0.023113080208978516,-0.1452794054594832,0.12203931555082086,0.4120337287408894,1.4984990742545887,1.061445931922429,1.2550920863669852,0.9101533511851837,1.06995624459141,1.0324277373995492,0.478681563243424,0.0034839374937069116,1.358885017421602,1.1734693877551017,1.2956810631229232,0.9656084656084652,1.0565476190476186,0.9428571428571426,0.41743970315398865,0.0,1.3588850174216,1.1734693877550995,1.2956810631229208,0.9656084656084636,1.0565476190476168,0.9428571428571407,0.41743970315398815,0.0,1.358885017421603,1.1734693877551023,1.2956810631229263,0.9656084656084675,1.0565476190476208,0.9428571428571438,0.41743970315398893,0.0,1.3588850174216016,1.1734693877550997,1.2956810631229216,0.9656084656084638,1.056547619047617,0.9428571428571407,0.4174397031539885,0.0,1.3588850174216034,1.1734693877551017,1.2956810631229227,0.9656084656084649,1.0565476190476184,0.9428571428571424,0.41743970315398904,0.0,1.9105051990922943,0.6122351756194829,1.3717063680669357,0.7899681874242399,1.0649603798453304,1.1825410890381591,0.5733069274587067,0.0,79.69004720579815,39.84502360289905,56.33538486827092,79.69004720579812,5.692146228985581,39.84502360289905,-4.973799150320701E-14,0.010412344800898622,7.437389143499015E-4,-6.390668447346429,146.05075379937716,10.432196699955512,6.9775358660872415,79.69004720579815,39.84502360289905,56.33538486827092,79.69004720579812,5.692146228985581,39.84502360289905,-4.973799150320701E-14,0.010412344800898622,7.437389143499015E-4,-6.390668447346429,146.05075379937716,10.432196699955512,6.9775358660872415,79.69004720579815,39.84502360289905,56.33538486827092,79.69004720579812,5.692146228985581,39.84502360289905,-4.973799150320701E-14,0.010412344800898622,7.437389143499015E-4,-6.390668447346429,146.05075379937716,10.432196699955512,6.9775358660872415,79.69004720579815,39.84502360289905,56.33538486827092,79.69004720579812,5.692146228985581,39.84502360289905,-4.973799150320701E-14,0.010412344800898622,7.437389143499015E-4,-6.390668447346429,146.05075379937716,10.432196699955512,6.9775358660872415,79.69004720579815,39.84502360289905,56.33538486827092,79.69004720579812,5.692146228985581,39.84502360289905,-4.973799150320701E-14,0.010412344800898622,7.437389143499015E-4,-6.390668447346429,146.05075379937716,10.432196699955512,6.9775358660872415,79.69004720579815,39.84502360289905,56.33538486827092,79.69004720579812,5.692146228985581,39.84502360289905,-4.973799150320701E-14,0.010412344800898622,7.437389143499015E-4,-6.390668447346429,146.05075379937716,10.432196699955512,6.9775358660872415,97.75336714602193,48.248404082019356,69.82742898517837,97.57122428887905,6.96937316349136,48.248404082019356,-0.31875000000003695,0.014019324152098708,0.001001380296578479,-5.9742460463308555,131.53868653740685,9.395620466957633,6.831021403572806,0,11.900000000000002,12.100268850778194,-0.14256652814537607,0.05823035245894226,7.075718750000003,11.039635456165163,15.0,41.0,41.0,41.0,15.0,0.0,0.0,0.0,0.0,0.0,28.423381999999993,3.800872197888762,3.4433651672814154,3.1914383484516633,2.8417654544232067,2.6403807331765425,2.395288679111004,2.3335527931030473,2.3335527931030464,2.0890948178989635,1.83952072374059,1.6807667332896918,1.4034913254371524,1.2496297225843565,1.2496297225843558,1.2312344755760636,1.1244602213255217,3.8195436959982887,3.468905774327123,3.2245844250748172,2.8792756976245992,2.679155764095388,2.4461128336857483,2.4054545878412905,2.4054545878412883,2.045113258143045,1.7795993702685766,1.6100834363313243,1.32232815527618,1.1448902512009844,1.1345406859483522,1.1345406859483513,1.0241490507685727,3.9027221110911956,3.583470066604356,3.3705758275322757,3.0463031215744967,2.8532715346654287,2.7042369872335206,2.7042369872335197,2.6696600369198347,1.9195705781655796,1.606750446279304,1.3996895972749186,1.0798284342271534,0.8884702019883673,0.7603185604308977,0.7603185604308977,0.7137963491735139,3.8333512854055805,3.4878478104476773,3.249029647599966,2.9070608318694973,2.7079605340297253,2.48365038832906,2.4575399160416938,2.457539916041693,2.0174642842914783,1.7417163637513047,1.5648183510929228,1.2702272363033438,1.0895767987525908,1.0582626705327118,1.0582626705327114,0.9588231242930567,3.9439846279204525,3.6404817025184038,3.4415399196775036,3.128074428472985,2.939248396744605,2.838982085149649,2.8389820851496474,2.7768083164438333,1.8814621243435703,1.5541101336393157,1.3335909439751723,1.003785909432822,0.808743286030676,0.6313372621875608,0.6313372621875604,0.6132959638128284,3.80842702342699,3.553608476140158,3.287703869647615,2.934563526419742,2.727215397622654,2.727215397622651,2.7117391940035374,2.5355842204880017,2.031335486602867,1.6693109225360283,1.4898612343070765,1.1998178929849128,1.0416457668868813,0.8624401282834653,0.7961809148640318,0.7961809148640314,0,0,0,0,0,3,7,3,1,0.0,0.0,0.0,0.15137471507731048,0.23728382326827402,0.0,0.0,0.0,0.15137471507731048,0.23728382326827402,1.7866259641368174,0.2886751345948129,0.4697072947697198,0.11785113019775793,1.7866259641368174,0.2886751345948129,0.4697072947697198,0.11785113019775793,2.6033538713616506,4.1843412626944145,5.924469706804937,2.6033538713616506,4.1843412626944145,5.924469706804937,10.181798275874714,6.588334963116932,6.611813452144378,4.687112673244683,4.013746019702374,3.263736003584816,1.8282661986855737,1.2650350382019204,0.7272713054196224,0.4392223308744621,0.30053697509747174,0.17359676567572901,0.11467845770578212,0.07770800008535277,0.05223617710530211,0.03614385823434058,10.181798275874714,6.588334963116932,6.611813452144378,4.687112673244683,4.013746019702374,3.263736003584816,1.8282661986855737,1.2650350382019204,0.7272713054196224,0.4392223308744621,0.30053697509747174,0.17359676567572901,0.11467845770578212,0.07770800008535277,0.05223617710530211,0.03614385823434058,21.04376144921634,38.541879096868186,36.4313725490196,36.879999999999995,24.38120838323356,306.11001077844315,0.5260940362304085,0.9635469774217047,0.91078431372549,0.9219999999999999,0.609530209580839,7.6527502694610785,4.639000000000005,62.24400000000006,101.98584492346467,137.80149249867452,203.97168984692934,14.569406417637808,101.98584492346467,0.2294896256337765,0.016392116116698323,-2.0606564365987636,79.28979880802333,5.663557057715953,6.122353271806498,141,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,7.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.359084467120182,0.0,10.63952664399093,0.0,0.0,0.0,3.1951620370370364,0.0,0.0,0.0,0.0,0.0,0.5562268518518518,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4530281557067273,0.0,1.5030787037037037,0.0,0.0,0.0,1.0153240740740739,0.0,0.0,0.0,0.0,0.0,0.5562268518518518,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4530281557067273,0.0,1.5389351851851851,0.0,0.0,0.0,1.0988194444444443,0.0,0.0,0.0,0.0,0.0,0.5562268518518518,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.75,1.5535714285714286,0.2,2.4530281557067273,-0.0,0.5562268518518518,9.801595776643989,0.6937731481481482,0.4530281557067272,2.9972222222222236,0.6937731481481482,0.4530281557067272,2.9972222222222236,7.0,0.5,0.0,0.0,0.44,0.7,0.44,0.44,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.21429,0.21429,0.07143,7.5,0.53571,7.5,0.53571,0.0,0.0,-7.5,-0.53571,0.0,0.0,20.06447,1.43318,20.06447,0.0,0.0,6.58832,0.47059,6.58832,0.0,0.0,0.32568,0.02326,0.49768,0.03555,0.25,43.0,0,0,0,0,0,0,1.0,0.9340680553754911,1.5376107916273984,2.719504184180421,3.3332062193464953,3.889822782008754,3.920950594454668,37.362722215019645,61.504431665095936,108.78016736721683,133.3282487738598,155.59291128035017,156.8380237781867,0.1755130920075425,0.28891987343920356,0.510999798511554,0.6263155307469523,0.730904798534502,0.7367537712922921,4.387860039511872,3.7843173032599644,2.602423910706942,1.9887218755408673,1.4321053128786088,1.4009775004326945,0.1743460547971063,0.2869987618042744,0.5076020133516711,0.6221509779976657,0.7260448015541087,0.7318548828037321,6.768335828953244,14.01084866397613,18.40386930413978,20.671199822569495,22.53883581206975,21.470989703844136,55.03160484820687,39.87336270579255,33.875623458690285,28.408004104491944,23.533735112873615,24.87369697867756,10.515555555555556,3.8677685950413223,2.1728395061728394,4,0,3,3.0,1.864000000000001,1.5000000000000004,4.691577960905023,3.120125734577856,3.0,8.737028660947072,10.127365819889253,2.0318649002029145,2.381101577952299,1.6509636244473134,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.16199999999999998,0.17099999999999999,0.23100000000000004,0.39,6.375999999999999,22.0,27.0,35.0,42.0,35.0,35.0,29.0,24.0,12.0,290.0,2.772588722239781,3.1354942159291497,3.332204510175204,3.58351893845611,3.7612001156935624,3.58351893845611,3.58351893845611,3.4011973816621555,3.2188758248682006,2.5649493574615367,5.673323267171493,1.0,0.5,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,3.0,0.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.06666666666666667,4.0,0.26666666666666666,1,3.0,6.0,1.0,3.5,2.0000000000000004,1.3125,0.8933333333333338,0.37500000000000006,0.12000000000000001,0.0,0.0,0.0,0.0,0.23333333333333334,0.09090909090909093,0.0625,0.049629629629629655,0.03125000000000001,0.04,0.0,0.0,0.0,0.0,0.507622053872054,39.84502360289905,56.33538486827092,79.69004720579812,5.692146228985581,39.84502360289905,0.010412344800898622,7.437389143499015E-4,-6.390668447346429,146.05075379937716,10.432196699955512,6.9775358660872415,0.0,225.98732606133353,4.807354922057604,4.31748811353631,5.153291594497779,6.056784013228625,6.918695219020472,7.821242083523558,8.691986481789401,9.591444479171411,10.466326711254153,11.363369214569707,99.38062791059141,3.4339872044851463,0.0,4.77912349311153,0.0,6.336825731146441,0.0,7.989899374942939,0.0,9.690974793577944,9.895808141192258,194.203450832,4.855086270799999,28.146402983539602,2.0104573559671146,0.0,0.0,0.0,272.0,21.0,7.4190000000000005,74.0,1.2646045087230415,2.1861354929224297,2.9521788034819525,3.5926748591196325,4.453025736693602,5.152209631232303,5.8792805652929845,6.40927665228179,0.0,0.0,89.15997930371272,108.33490539966417,100.5525512792394,91.3734397079603,90.83863033037932,51.314615595906,18.91330261223898,6.512235272424044,0.0,0.0,317.64275180695654,422.0505591310083,453.238061496314,441.91427514602196,496.97003316783844,414.80874321619285,280.3454435110831,199.22431744665542,0.0,0.0,9.237296941649458,15.695726731121681,20.987411212547073,25.207044536615868,31.18184038492255,35.68825532825036,39.96543259755882,43.060494454395716,0.0,0.0,2.344381295908909,3.288643331559014,3.77122721090534,3.855753629775135,4.509609341759732,4.219943233461012,3.3944269556891555,2.8496471103518797,0.0,0.0,178.92728046969472,328.7153973413164,458.04737558502205,582.6800020841802,725.8603981863479,868.2340305743834,1050.0883280781816,1185.1883897137875,0.0,0.0,2.3587017779764987,3.5603859693267697,4.6376319329700335,5.122700530138259,6.466232981069983,7.004545977283189,6.704148535019401,6.40927665228179,0.0,0.0,0.4837179629859791,0.6860505737022231,0.7960145287862445,0.8217901140808184,0.9669556061627973,0.9214389855924936,0.7625722746570928,0.6563099291936552,0.0,0.0,401.95761704824093,272.14124427640854,10.333145057491482,48.87120436786536,-33.087743089991875,-2.8070673475750167,353.0864126803756,305.2289873664004,13.1402124050665,0.8915969830536672,0.603646509159687,0.02292032932817795,0.10840301694633267,-0.07339314062942867,-0.006226459388194589,181.2140787530851,122.68911641584596,4.658479607790549,22.03254746635041,-14.916908220579954,-1.2655068639428806,0.04558211664913451,0.0883278736412425,0.24705059725557285,1.5944529020550102,450.82882141610634,0.0,1.0,0.0,928.7736787961103,30.475788403191643,9.756707823427078,1180.6366169225892,34.360393142724504,10.569118069649052,1967.8018988261797,44.359913196783644,12.53123261440408,1.855629183089825,1.855629183089825,1180.4133892345174,838.3688097427366,507.01590431020566,1.4079881974578004,2.328158503904267,1.6535355254453725,5.070762043444695,4.520304762080136,8.289665759983858,0.8338732002151891,7.251422128940636,12.828597236053687,10.031787957583711,46.39707301743098,15.166660863571586,26.347806848895267,30.164595063597467,21.292459887624286,21.780974395967267,18.725529340304977,15.702272762865574,9.052286174716567,5.800527022351212,2.0555717134615414,0.31244070085771347,0.011985601168043139,1.22066866166955E-22,2.3977929163874687E-64,9.084508916606621E-128,6.638456946841503E-213,9.3566E-320,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6085610510696199,11.625559903228792,0.6675089662556484,21.834877351576306,3.1673364078754913,4.71539145902244,2.85107782086152,1.4346900751483873,3.7200752633970966,1.6052466503471823,1.156004515111101,0.7099962862363606,0.20069256735913504,0.05940947184898992,0.0022005454029442964,8.441556903262583E-5,8.597269192459918E-25,1.688785156633864E-66,6.398293909712305E-130,4.675519507193037E-215,6.57E-322,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9645095675356292,11.70595515195407,2.269709369394923,25.034413396049473,4.200511420727454,8.183004385140332,6.876811567543328,4.540572069149799,6.012788051612783,3.6471352354338893,2.879143173670023,1.534590831038127,0.8363831210675354,0.2663061060741061,0.022931379728100092,8.796753140657906E-4,8.95901735148213E-24,1.7598443392324656E-65,6.667515564973655E-129,4.8722518109439655E-214,6.868E-321,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.84475056221051,12.696516365221003,9.349111604922244,44.25161328470766,13.931086362687637,24.6881063070793,27.944306098200403,19.74158302781169,20.182182820960044,17.163511529155382,14.370944192535372,8.230883292887087,5.27822376206806,1.86241567460835,0.2783790394247979,0.010678954857446863,1.0875938011874853E-22,2.1363903197346467E-64,8.094133891354464E-128,5.914745623894248E-213,8.3364E-320,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.8953260272508556,11.810186456545942,3.4613920219645538,27.76944785204307,5.3302358263056115,10.844899971764267,10.100441316481504,6.953998668562859,8.000541794234751,5.480172188328319,4.432006277660604,2.361418158469003,1.4234089720433036,0.4678853576314389,0.049810021012373674,0.0019107723301965748,1.946018285069525E-23,3.82261706687722E-65,1.448273476474277E-128,1.0583181995949027E-213,1.4916E-320,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.757144317579943,13.383978156770374,12.68364886008683,55.069437393195784,20.31026732752727,32.87372923329707,39.00773729677319,27.41525147582631,28.260476467496126,25.092503022857617,21.13209719622817,12.44634088761873,7.938173104698174,2.851302725530751,0.45566539853247956,0.017479872877941383,1.7802305226842654E-22,3.496955620201431E-64,1.3248902478434048E-127,9.681565564343058E-213,1.36456E-319,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.968847434431956,10.71102674317523,5.5741009031055455,34.80247170048143,7.884350199524701,16.95656601438356,17.055472428557316,12.027535307356166,12.574139882961608,10.340885179221619,8.430460257841597,4.701590980509152,3.037414217848777,1.0934954994133328,0.12945092322497107,0.004965893151404847,5.0574936226657534E-23,9.934573372692695E-65,3.7639080410197335E-128,2.750455936754519E-213,3.8764E-320,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.746613543849549,2.8519704540422763,0.9955056141504338,0.5523113858620315,0.3318525385220585,0.5063482447208663,0.45044851747840997,0.43201593408432226,8.594089612042259,21.10163461331078,43.17208440192783,0.32846707879304726,1.3888126962835985,3.8983752200477757,2.1877929790053523,0.42483945239982174,0.5987360833737988,0.33601449977057546,0.3408262457963611,0.26487585066412545,0.07868973108813526,6.5110076514529505,11.11448230084791,21.248876790616247,0.4021258747165615,0.6843918275486218,4.227367570537654,2.445594838953337,0.6462685035949397,0.5775699142077365,0.3341327617606515,0.40110465198328127,0.3310888611235648,0.18208768864140007,7.3192309130859305,14.650953743792616,28.65158525215775,0.367554013952582,0.914281201748246,4.724799256305716,2.834909346051326,0.9808390937869715,0.5532197025770283,0.33193530987845943,0.501677427506395,0.4450685898443392,0.41938230974207347,8.540547696144014,20.809235304746885,42.487512158409245,0.3298295538655426,1.3661283270928077,4.377313562768534,2.563006895703732,0.7471488084225127,0.5694089186956417,0.333400603855554,0.4302246860197492,0.3636910306906611,0.2433655217254129,7.687469266894779,16.404537006651164,32.47433214785074,0.3542142838267936,1.0372812384358232,4.8151866524172,2.905595951419625,1.0416068351755996,0.5495289482317168,0.33159858639507167,0.5211735250175651,0.4675688405388085,0.472947258353378,8.762389439012424,22.03300677565453,45.36850374076395,0.3242934223475752,1.4616896239097517,4.739211881191468,2.838893986227077,0.9864471962834627,0.5533519199357911,0.33147018473839335,0.5048833088799399,0.4463249849447305,0.42418727803716805,8.564553063702007,20.929521395024654,42.76585351868144,0.33002787990368665,1.3753955718618385 +UMLCN0232,L,n-propyldecalin,CCCC1CCCC2C1CCCC2,Naphthenes,,C13H24,NREL (2014),Unknown,UML,,35,0,-0.7410000000000001,0.5490810000000002,48.2125,38.88303199999997,0,0,37,13,24,0,13,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1899.8191089999973,2310.2678060000007,3190.0871700000034,3365.854146000004,2832.231374000003,2018.1183209999938,1090.9772199999945,413.92528900000093,82.888848,6251.729589083608,8682.915417383063,13503.66675044401,15813.018479818169,14680.746932948921,11769.604470961829,7701.4974839163115,3815.778645595472,1257.5254593330578,259.26984400000015,276.390392,557.9971920000008,844.9626960000021,883.1827760000024,815.4129960000023,656.7106720000007,404.7956199999998,183.39436800000007,46.92640971637604,65.76966344,108.98568173818782,135.68660060365787,130.98392386760068,109.90952100699668,77.03476773699697,41.28614517911103,15.349205456678009,6086.350277751977,5450.062130369601,11851.192524130185,19236.19265741242,20482.806440360848,19363.524886304665,16126.469794735402,10247.911191580813,4833.801083097978,53.583333333333336,67.05555555555557,120.69444444444441,167.6666666666666,172.66666666666663,158.0,123.25,73.5,30.5,51.34646240540533,60.796521210526336,40.898553461538505,28.048784550000036,22.478026777777803,17.248874538461486,11.483970736842048,7.015682864406795,3.069957333333333,168.96566456982723,228.49777414165956,173.12393269800012,131.77515399848474,116.51386454721366,100.59491000822077,81.06839456754012,64.67421433212664,46.57501701233547,7.007293081081085,7.273431368421053,7.153810153846164,7.041355800000018,7.00938711111113,6.969341846153866,6.912743915789481,6.8609427118644035,6.792384000000003,1.268281343685839,1.7307806168421054,1.397252329976767,1.1307216716971489,1.039554951330164,0.9393976154444161,0.8108922919683892,0.6997651725273056,0.5684890909880744,164.49595345275614,143.4226876413053,151.93836569397672,160.3016054784368,162.56195587587973,165.5002127034587,169.7523136287937,173.69341002679346,179.02966974436956,1.4481981981981982,1.764619883040936,1.547364672364672,1.3972222222222217,1.37037037037037,1.3504273504273505,1.2973684210526315,1.2457627118644068,1.1296296296296295,0.04895074492282604,-8.750492914137693E-4,-0.016053537077312243,-0.003961041853194186,-0.0068668561710008135,-0.008276334139235654,-0.0017859875591899645,0.0030427522322513815,0.0066697777118900825,1020.8809407567574,50.93792635792374,-228.15946181154283,-110.89611050840023,-292.80464265814373,-266.9819438794726,-52.618170456535324,109.56960200949786,190.8403560423676,1898.371702514529,94.72124918991436,-424.27226199648976,-206.2160529238738,-544.4827362288243,-496.4643251811591,-97.84573484027351,203.74935372622068,354.87579123582344,0.19998356756756727,0.009978390065744927,-0.04469487216946269,-0.02172378670562293,-0.05735841928414864,-0.05229992987582302,-0.01030753834916287,0.02146393279765964,0.03738431555880008,8.486604780348324,0.42344805556833776,-1.896694415566389,-0.921881704310179,-2.4340911666435634,-2.2194265273624136,-0.4374159601790968,0.9108544111964102,1.5864599026326702,46.0993718593537,2.3001765584703566,-10.302874168151362,-5.0076760491711925,-13.222021849126882,-12.055960121568496,-2.3760504380033463,4.947775617961193,8.617675370104687,2.441441441441444,-0.33925817709601486,-0.7496753510267024,-0.1636839542244939,0.0012174336498671084,-0.26077428780131284,0.026479181884588268,-0.13860482103725302,0.21840759678597482,0.0013229931060223254,-2.3027612931941298E-5,-2.0581457791425952E-4,-3.300868210995155E-5,-5.4498858500006455E-5,-7.073789862594576E-5,-1.8799869044104888E-5,5.157207173307426E-5,2.470288041440771E-4,27.591376777209657,1.340471746261151,-2.92512130527619,-0.9241342542366685,-2.323846370302728,-2.281896956234809,-0.5538754784898455,1.8571118984660653,7.068161334902504,51.30734331120349,2.492664452366167,-5.439387974313972,-1.7184671076989484,-4.321291557371621,-4.243284830608197,-1.0299551035818264,3.453378876715605,13.143547823549016,0.005404961285609926,2.6258921225644547E-4,-5.73011181659778E-4,-1.810315558801911E-4,-4.5522554987419557E-4,-4.47007947656607E-4,-1.0850040367539863E-4,3.637954711467736E-4,0.0013846042799555583,0.22936769676617094,0.011143369883377309,-0.02431659507136396,-0.007682347535918159,-0.019318183862250503,-0.018969457498824047,-0.004604378528201019,0.01543821035926119,0.05875777417158038,1.2459289691717217,0.06053096206500939,-0.1320881303609149,-0.04173063374309327,-0.10493668134227685,-0.10304239420144014,-0.025011057242140488,0.08386060369425752,0.31917316185572914,0.06598490382274173,-0.008927846765684602,-0.009611222449060286,-0.0013640329518707823,9.66217182434213E-6,-0.0022288400666778873,2.78728230364087E-4,-0.002349234254868695,0.0080891702513324,-0.01740569382192435,-0.15556738502822282,-0.02495000311014057,-0.041193607322612,-0.053468078029993954,-0.014210103558761584,0.038981360899248696,0.18671964579376163,0.048582995951415305,-0.10601577909270284,-0.0334935897435897,-0.08422364672364642,-0.0827032653955726,-0.020074224021591557,0.06730769230769341,0.2561728395061739,0.048582995951417116,-0.10601577909270202,-0.03349358974358946,-0.08422364672364595,-0.08270326539557218,-0.020074224021591956,0.06730769230769203,0.2561728395061723,0.04858299595143417,-0.10601577909269266,-0.03349358974358731,-0.08422364672364631,-0.0827032653955752,-0.02007422402159812,0.06730769230768337,0.2561728395061597,0.048582995951419544,-0.1060157790927008,-0.03349358974358945,-0.0842236467236467,-0.08270326539557343,-0.020074224021593395,0.06730769230769093,0.25617283950617087,0.048582995951406145,-0.1060157790927082,-0.03349358974359131,-0.08422364672364707,-0.08270326539557184,-0.020074224021588913,0.06730769230769794,0.25617283950618114,-0.13530135301352997,-0.14565789888668101,-0.020671894218942055,1.4643003572905198E-4,-0.03377803008799289,0.0042241211885804585,-0.03560260178872959,0.1225912259122588,1.4190072339374336,1.2931770821386475,0.9910214195368379,1.006408381392428,1.024764723119357,0.9145517548605806,0.7819728907167804,0.4643240889122927,1.348178137651822,1.3136094674556218,1.0673076923076927,1.0673076923076927,1.0034516765286,0.853846153846154,0.6874185136897002,0.3952991452991451,1.3481781376518192,1.3136094674556185,1.0673076923076898,1.0673076923076898,1.0034516765285975,0.853846153846152,0.6874185136896989,0.3952991452991447,1.3481781376518218,1.3136094674556218,1.0673076923076936,1.0673076923076936,1.0034516765286006,0.8538461538461538,0.6874185136897002,0.39529914529914545,1.3481781376518223,1.31360946745562,1.0673076923076907,1.0673076923076907,1.0034516765285983,0.8538461538461536,0.6874185136897003,0.39529914529914534,1.3481781376518218,1.3136094674556202,1.0673076923076912,1.067307692307691,1.0034516765285986,0.8538461538461531,0.6874185136897002,0.3952991452991451,1.5952612157700508,1.144762986091398,0.8516143911439101,0.8386926726410108,1.0064812186583392,1.054165857448047,1.1871286509475252,0.7509225092250915,75.11434115164526,37.55717057582262,53.34634137311522,75.11434115164525,5.77802624243425,37.55717057582262,-2.8421709430404007E-14,0.15961791372101602,0.012278301055462772,-2.38546406657685,166.10355565312923,12.77719658870225,6.646394850019197,75.11434115164526,37.55717057582262,53.34634137311522,75.11434115164525,5.77802624243425,37.55717057582262,-2.8421709430404007E-14,0.15961791372101602,0.012278301055462772,-2.38546406657685,166.10355565312923,12.77719658870225,6.646394850019197,75.11434115164526,37.55717057582262,53.34634137311522,75.11434115164525,5.77802624243425,37.55717057582262,-2.8421709430404007E-14,0.15961791372101602,0.012278301055462772,-2.38546406657685,166.10355565312923,12.77719658870225,6.646394850019197,75.11434115164526,37.55717057582262,53.34634137311522,75.11434115164525,5.77802624243425,37.55717057582262,-2.8421709430404007E-14,0.15961791372101602,0.012278301055462772,-2.38546406657685,166.10355565312923,12.77719658870225,6.646394850019197,75.11434115164526,37.55717057582262,53.34634137311522,75.11434115164525,5.77802624243425,37.55717057582262,-2.8421709430404007E-14,0.15961791372101602,0.012278301055462772,-2.38546406657685,166.10355565312923,12.77719658870225,6.646394850019197,75.11434115164526,37.55717057582262,53.34634137311522,75.11434115164525,5.77802624243425,37.55717057582262,-2.8421709430404007E-14,0.15961791372101602,0.012278301055462772,-2.38546406657685,166.10355565312923,12.77719658870225,6.646394850019197,83.47721708824434,41.12296646353069,59.17628405352938,83.42914016516741,6.417626166551341,41.12296646353069,-0.1250000000000071,0.0959726892013335,0.007382514553948731,-3.046799100117047,93.92434286821529,7.2249494514011765,5.90523647361661,0,11.899999999999995,12.10024378410345,-0.15114284048020343,0.04913008492345804,5.473104925669975,10.338322617943097,14.0,38.0,38.0,38.0,14.0,0.0,0.0,0.0,0.0,0.0,26.236967999999994,3.7774150322282942,3.350551862772734,3.1711329830398625,2.889270199382407,2.6421224090963564,2.5227375348075576,2.108725722281587,1.5925559832728333,2.080171392013904,1.7991688549081302,1.6801739120043866,1.4451009799780363,1.2454582453785663,1.2253922713724905,1.0045733304870903,0.7164985582970678,3.7973446770202943,3.3806378897831295,3.2059797225812177,2.9269625626304294,2.6811159754664144,2.572406522581567,2.176266457908266,1.6814055472278688,2.0345865614763663,1.7335173317023196,1.6075222508893479,1.3653720320738825,1.1538413071947209,1.1320792070902095,0.8891252084106723,0.5786157925512284,3.885558667583696,3.513469664630079,3.358994182611166,3.0933330332239803,2.856456540776358,2.79024363020491,2.463280676059086,2.0524384229718087,1.9033178159183968,1.5400512158986916,1.3893881743941894,1.1265103274617503,0.8919788226532385,0.8331529557126761,0.5180967655183031,0.12183068804568259,3.812051995463513,3.402838349326053,3.2316594087400805,2.9547922368512576,2.7100932208066584,2.609049976558725,2.22560131478765,1.7460066835869252,2.0058283570868713,1.69166175441602,1.560828107277975,1.3141603612999895,1.0964596702430003,1.0700058552321625,0.8128946215093602,0.4865274919301974,3.9289890251114015,3.5783316914809573,3.432995266667778,3.1741670136410787,2.943303879946576,2.894341231362087,2.5953879737161083,2.218821416717905,1.863098089156221,1.4797529012034911,1.3203189448871246,1.0511701078282474,0.8115654569856123,0.7353986789753181,0.3924237586698739,0.03799683593348946,3.80733871514739,3.480563618011993,3.319302983986857,3.0294462796444055,2.7509468758000315,2.7134023493874686,2.366797098264694,1.891508240833018,1.990337111356353,1.6037496377295664,1.4495976029015136,1.2067075368009854,1.014036329546112,0.9276980046137969,0.6342623978733968,0.3002987531182547,0,0,0,0,0,1,9,3,0,0.0,0.0,0.0,0.15137471507731048,0.25137565482875424,0.0,0.0,0.0,0.15137471507731048,0.25137565482875424,0.4694160968212876,0.0,0.13608276348795434,0.0,0.4694160968212876,0.0,0.13608276348795434,0.0,1.3806820952411107,2.4633868134879453,3.3781828531985543,1.3806820952411107,2.4633868134879453,3.3781828531985543,9.096011838247808,6.41501490017253,5.188049766046482,4.3826660170687495,3.8008699646685544,3.067866662162336,1.7983853095433013,1.150417574450507,0.6996932183267545,0.45821535001232355,0.2882249870025823,0.18261108404453122,0.1226087085376953,0.08291531519357664,0.058012429340106496,0.0396695715327761,9.096011838247808,6.41501490017253,5.188049766046482,4.3826660170687495,3.8008699646685544,3.067866662162336,1.7983853095433013,1.150417574450507,0.6996932183267545,0.45821535001232355,0.2882249870025823,0.18261108404453122,0.1226087085376953,0.08291531519357664,0.058012429340106496,0.0396695715327761,19.501933645430476,35.654042243262936,33.70588235294118,34.11999999999999,22.58265389221559,283.08175568862276,0.5270792877143372,0.9636227633314307,0.9109697933227346,0.9221621621621618,0.6103419970869078,7.650858261854669,4.393000000000004,57.69700000000005,96.25676093712102,127.84080751733356,192.51352187424203,14.808732451864774,96.25676093712102,0.1092005961937465,0.008400045861057423,-2.878939382847506,80.52921539429008,6.194555030330006,5.705206055556994,148,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,9.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3536099300831443,0.0,13.752362292139077,0.0,0.0,0.0,3.3940277777777776,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3536099300831443,0.0,1.410601851851852,0.0,0.0,0.0,1.1148611111111109,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3536099300831443,0.0,1.5648148148148149,0.0,0.0,0.0,1.1411574074074073,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.5,1.5,0.2,2.3536099300831443,0.2,1.1148611111111109,9.087859920162508,0.2184722222222223,0.3536099300831444,1.3907407407407413,0.2184722222222223,0.3536099300831444,1.3907407407407413,6.5,0.5,0.0,0.0,0.44054,0.7,0.44054,0.44054,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.07692,0.23077,0.0,7.0,0.53846,7.0,0.53846,0.0,0.0,-7.0,-0.53846,0.0,0.0,16.49254,1.26866,16.49254,0.0,0.0,6.415,0.49346,6.415,0.0,0.0,-0.001,-8.0E-5,0.171,0.01315,0.2702702702702703,40.0,0,0,0,0,0,0,1.0,0.9352691398683567,1.3358503242113275,2.4274816627400626,3.41921469110118,3.9182523518230763,3.992708770800467,34.6049581751292,49.42646199581912,89.81682152138232,126.51094357074366,144.97533701745382,147.73022451961728,0.1795330669507662,0.2564281183559548,0.46597627281897874,0.6563480755314084,0.7521427061186516,0.7664352650018237,4.274184225760593,3.8736030414176224,2.7819717028888875,1.79023867452777,1.2912010138058738,1.2167445948284832,0.17821685560108885,0.25454816606923164,0.46256005947521134,0.6515361887797035,0.7466285198844138,0.7608162956847953,6.770572692700852,11.5775469048165,17.11014685877278,20.964528053453687,21.243204334841625,22.13668136257032,51.07693450647504,42.6458581102808,33.12692876317529,25.406926640635753,23.732268059880532,22.01770303998452,9.551020408163266,4.481481481481482,2.0833333333333335,3,0,3,2.8899999999999997,1.7231000000000012,0.0,2.214567782775291,0.7663094323935531,0.0,12.67992351620252,12.737507696700838,0.0,2.381101577952299,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.11099999999999999,0.124,0.31,0.41100000000000003,6.288999999999999,18.0,24.0,31.0,37.0,31.0,29.0,26.0,22.0,9.0,254.0,2.70805020110221,2.9444389791664403,3.2188758248682006,3.4657359027997265,3.6375861597263857,3.4657359027997265,3.4011973816621555,3.295836866004329,3.1354942159291497,2.302585092994046,5.541263545158426,1.0,0.42857142857142855,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,3.0,0.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.14285714285714285,3.0,0.21428571428571427,1,4.0,7.0,0.75,1.5,1.333333333333334,0.6875,0.4755555555555556,0.18055555555555552,0.10040816326530612,0.027777777777777776,0.0,0.0,0.0,0.10714285714285714,0.07407407407407411,0.03819444444444445,0.033968253968253974,0.020061728395061724,0.02510204081632653,0.027777777777777776,0.0,0.0,0.0,0.3263211766187957,37.55717057582262,53.34634137311522,75.11434115164525,5.77802624243425,37.55717057582262,0.15961791372101602,0.012278301055462772,-2.38546406657685,166.10355565312923,12.77719658870225,6.646394850019197,0.0,208.69134143546682,4.700439718141093,4.174387269895637,5.003946305945459,5.855071922202427,6.70808408385307,7.5688956634069955,8.427487278331744,9.29053691397046,10.150621030590434,11.01424248665062,95.19327295484683,3.367295829986474,0.0,4.61512051684126,0.0,6.1070228877422545,0.0,7.716460800176355,0.0,9.38252741428954,9.596418766284158,180.187800768,4.869940561297297,26.5512490642279,2.042403774171377,0.0,0.0,0.0,236.0,18.0,6.874,64.0,1.2657838120432816,2.189306818371399,2.9201517623987017,3.6465141636359144,4.6393710330961015,5.398844710912403,6.270368959376875,7.241004972524585,7.681597809959249,0.0,89.707750454769,98.81334504407054,92.30142950123613,96.30937306638549,88.68480198409156,69.30912773368425,47.511933403857554,22.347488454374297,7.804994997178434,0.0,319.0245493336899,403.9668610034403,412.6908436626613,470.4579009070306,495.02566806985305,464.0013035465694,424.4121897239445,338.13926957604133,238.7728231459669,0.0,9.247397892305994,15.712203593500805,20.617767438948917,25.681791586197672,32.41204953293761,37.40247172725597,43.09901653878781,49.18792999890697,51.608538348690054,0.0,2.3524575999527704,3.2065680866439914,3.4665984555319773,4.083082715461809,4.5420590086117745,4.555163998097922,4.529911669595486,4.123543953249475,3.415337516167698,0.0,179.00157641377626,329.11282838636185,464.18929440932703,583.7389832126544,761.9447599431236,910.2713491773077,1082.9610509716115,1296.01670516946,1420.463030812277,0.0,2.2925601562473887,3.457241195066019,4.1612734069850825,5.171785304923598,6.390222651489545,7.137221760357384,7.961934095289215,8.18926096018337,7.681597809959249,0.0,0.4853028679585563,0.6709276561714561,0.733722999807546,0.868821307428153,0.9759891477022357,0.990125042419913,0.9978244126957917,0.9274533118538295,0.786595615739827,0.0,404.65650693706243,257.6387034100218,10.520752085752793,35.37973289179442,-22.525743075849096,-1.9386830334453247,369.276774045268,280.1644464858709,12.459435119198117,0.9195981383134383,0.5854942845394395,0.023908830985931124,0.08040186168656165,-0.05119065439839688,-0.004405734932648583,178.06352773486466,113.37036628292806,4.629512187986263,15.568364627854546,-9.912143282447545,-0.8530907922572826,0.04770726790745815,0.10234075252281946,0.4295406707569238,0.981635990134924,440.0362398288569,0.0,1.0,0.0,866.6921096499605,29.439635012172968,9.534288318402112,1099.1809756128637,33.1538983471456,10.320238510592622,1694.3026256669732,41.16190745904486,11.921484211692226,1.4083893143158546,1.4083893143158546,1236.388033204237,867.1699714879753,469.3981576872719,1.425773578255623,2.633985696271007,1.8474081273785308,5.266926690056859,5.284489833970658,8.931857475424199,0.6902024142438332,6.693623528833752,10.743854100368145,7.374888823130282,39.52069550956351,18.783856677232194,22.21154197156755,24.637926093499868,19.29884702338292,20.665560094156593,16.807894577204237,20.31000909452091,6.55347537293596,7.372701055040198,2.28071909590461,5.265495822720216,0.15423828940008064,0.8894556052824998,9.6183497426275E-15,2.819159524720942E-50,1.599206325940069E-107,1.7497573183705546E-186,3.692556497263323E-287,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5617486870963296,10.669079117150893,0.5315366367388797,14.545333970452953,3.087523488833521,3.4553574619069445,2.0568328410050176,2.9338293191744307,3.5093109437260734,0.6932806842678475,3.56897389792691,0.24811455691050407,1.137864172661668,0.1431742698304757,0.23792798148596936,0.0010863133511081417,0.006264508554595899,6.77428236844355E-17,1.9855571041992205E-52,1.1263340913157267E-109,1.2323683862690014E-188,2.600697733316076E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8133936771741272,10.67407666803259,1.7734448569813301,17.079651551169036,4.7194574492939045,6.7270443726626725,5.57662555264167,5.533122751361822,5.585561816511116,2.7054042285899773,5.425872557819705,0.8990909900867095,2.005712501918755,0.4939633913881728,0.9024612488148275,0.011320218999729051,0.06528100910037261,7.059324527834154E-16,2.069103589832995E-51,1.1737269639658894E-108,1.2842228745943143E-187,2.7101275529645573E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.318234052425641,10.73564479411914,6.901121919451955,37.08477453153468,17.266808999705503,20.86630663579618,22.870102332672563,18.034796076444326,19.11089949411375,15.369533916359963,18.73315121324823,5.942440913389518,6.847798742181181,2.119602683144256,4.82975406217374,0.13742353934179835,0.7924889309549485,8.569776456313087E-15,2.5118203816681462E-50,1.424864045033605E-107,1.559002268837983E-186,3.2900013599639256E-287,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6726091373906278,10.680555404330253,2.671988487138736,19.58059261160597,6.306494907851696,9.138295226125539,8.316344988650384,7.537520636468607,7.434164377795746,4.4658948522440465,7.163861691286684,1.5348318564470709,2.7216610671432138,0.7601645601641582,1.4660388734908556,0.02458902719962813,0.14179907504710737,1.5333796188186182E-15,4.4943694844523084E-51,2.5494918069099312E-108,2.789503689990781E-187,5.886759190244521E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.083522354505089,10.77837291556793,9.191280444077524,49.569584950762106,25.032244572451336,27.416016132667213,31.621003383991596,24.27676292008069,26.994439749796037,22.646522019691695,26.775140117119857,9.071359694872426,9.478782333830663,2.9116157154012257,7.024137745563111,0.22494204800804452,1.297187407867746,1.402745915198501E-14,4.111479217759197E-50,2.3322921304577394E-107,2.5518566038985375E-186,5.385246618991043E-287,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.5863692276645205,10.264774165817498,4.604699937790789,25.915307012624964,10.524593015699795,14.03384452127858,14.61639336276777,12.573480048204567,12.348662171005694,9.072040922879708,12.826625826591386,3.336585262778626,4.853064284490205,1.6019809212024525,3.198327384852382,0.06855035354677433,0.3953136023477776,4.274822107834444E-15,1.2529597887648632E-50,7.10758367084475E-108,7.776699192758021E-187,1.6411362210059214E-287,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.586621928338602,2.987159924616459,0.7857852205179126,0.5968889249346041,0.3191557794465422,0.4453495607193461,0.4496304811081811,0.4583314598339422,9.359567073472974,23.425284202313364,45.898139653910725,0.3953333874019061,1.3533115016614694,4.546257604982328,2.328602532893653,0.27797957759679637,0.6355877925165888,0.32554937975983156,0.29803935275090643,0.27557310307028704,0.057411825787215015,7.152839715472777,12.497497691312699,22.593147905318713,0.4533816887748833,0.6310242816084085,4.948208696501823,2.584580831014139,0.47464665954084867,0.6179516865210974,0.32277257921728375,0.35133869423142317,0.33842195521949614,0.1673294920990319,8.007436187056811,16.36445873109581,30.442172569795503,0.4269275297816463,0.8570901415499512,5.559709733509234,2.970273178480378,0.772695069276387,0.5976461557312355,0.3192922709419804,0.4411539439582457,0.4446633236825715,0.44320006379001525,9.302677981265997,23.104932438684976,45.1677860679977,0.3964692335968531,1.3290173314308324,5.13208576189173,2.7009876585357846,0.5644014508685609,0.6111463077352012,0.32164283905965546,0.37723608326124314,0.3690290783080094,0.23655741035399358,8.397474871296076,18.282698308666035,34.503736943844515,0.4167194616028017,0.9828225719232462,5.671269999246654,3.0402315076504194,0.8269449576322163,0.5945695685703598,0.31873445208883405,0.4586799543178691,0.46541315706564773,0.5075612269678133,9.53844646452929,24.445905984636237,48.24251569317016,0.39185435285553977,1.43165433835133,5.585775262572144,2.9752797936916244,0.7760568347343009,0.5982337287783177,0.31865097349428767,0.44513046094331526,0.4459687649102352,0.4470878494517636,9.33711189099807,23.263109559783572,45.4976995552808,0.3973505931674766,1.338187075305314 +UMLCN0233,L,n-butylcyclohexane,CCCCC1CCCCC1,Naphthenes,,C10H20,NREL (2014),IQT,PubChem,,47.8,0,-0.9280000000000013,0.8611840000000024,36.614900000000006,30.93585999999997,0,0,30,10,20,0,10,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1462.9624899999978,1684.7829699999993,2058.1513789999976,1843.4530889999955,1329.9753659999956,1046.4368929999978,722.5177710000002,338.1488890000006,76.792464,4856.843906111898,6529.901344903667,9360.598530062574,9749.604802819258,7800.232760701323,5928.110612290714,4509.682387310795,2775.8393972789218,1071.0229927474766,209.7744400000001,217.75780000000003,427.31879600000013,608.6698920000006,563.098776,436.9535239999998,333.73412400000007,268.43050000000017,143.083584,36.781258096980004,50.15988620000001,77.88332573333892,87.87502559456382,73.49196704395999,55.78640220486611,43.090771631527076,29.04923005637597,12.681528027584006,4966.296601384981,4330.394515158,9247.488902346942,14229.331681624768,13516.761387461464,10596.113094384069,8002.185114511529,6708.5336726525775,3724.2951709524846,43.77777777777778,53.83333333333333,92.75000000000001,119.50000000000001,106.75,82.75,66.25,50.0,24.5,48.76541633333326,56.15943233333331,34.3025229833333,21.18911596551719,16.419448962962907,16.610109412698378,15.052453562500004,8.670484333333349,3.6567839999999996,161.8947968703966,217.66337816345558,156.0099755010429,112.06442302091101,96.29916988520152,94.09699384588436,93.95171640230824,71.17536916099799,51.00109489273698,6.992481333333337,7.258593333333335,7.121979933333336,6.99620565517242,6.951836740740741,6.935770222222219,6.952794250000001,6.882833333333338,6.813504,1.226041936566,1.671996206666667,1.298055428888982,1.0100577654547567,0.9073082351106171,0.8854984476962874,0.8977244089901474,0.7448520527275889,0.6038822870278098,165.54322004616603,144.3464838386,154.1248150391157,163.55553657039962,166.87359737606744,168.19227133942965,166.71218988565684,172.01368391416867,177.34738909297545,1.4592592592592593,1.7944444444444443,1.5458333333333336,1.3735632183908049,1.3179012345679013,1.3134920634920635,1.3802083333333333,1.2820512820512822,1.1666666666666667,0.04125368194379379,-0.0016259689049743721,-0.016021923632003342,-0.00763751041494469,-0.0025990761744610798,0.006360746120347453,-0.004958146551639417,-7.288000952370637E-4,0.0029538859094086524,807.1067266666666,-5.897504706808832E-13,-282.4873543333336,-161.42134533333308,-80.7106726666662,80.71067266666711,-121.06600899999957,4.583000645652646E-13,80.71067266666688,1500.8494229281496,5.258016244624741E-13,-525.297298024852,-300.16988458563054,-150.08494229281555,150.0849422928148,-225.12741343922283,-3.197442310920451E-13,150.08494229281487,0.1581066666666664,3.6637359812630166E-15,-0.055337333333329554,-0.03162133333333275,-0.01581066666666777,0.01581066666666521,-0.023716000000000678,-1.848347863653288E-15,0.015810666666665016,6.709495232326666,1.8485213360008856E-14,-2.3483233313143135,-1.3418990464653309,-0.6709495232326725,0.6709495232326592,-1.0064242848490035,-9.325873406851315E-15,0.6709495232326579,36.44608458965994,-3.019806626980426E-13,-12.756129606381293,-7.289216917932061,-3.644608458965921,3.6446084589661267,-5.466912688448936,1.596500709410975E-13,3.6446084589661356,2.1629629629629625,-0.34444444444444233,-0.6870370370370362,-0.2800000000000023,-0.1529629629629659,0.5411111111111102,-0.2551851851851863,-0.13407407407407557,0.041481481481480814,0.0013751227314597928,-5.4198963499145734E-5,-2.6703206053338907E-4,-8.7787476033847E-5,-3.208736017853185E-5,1.0096422413249925E-4,-1.032947198258212E-4,-1.868718192915548E-5,1.406612337813644E-4,26.903557555555555,-1.9658349022696105E-14,-4.708122572222226,-1.8554177624521044,-0.996428057613163,1.2811217883597954,-2.5222085208333245,1.1751283706801656E-14,3.843365365079375,50.028314097604984,1.7526720815415805E-14,-8.754954967080867,-3.4502285584555237,-1.8529005221335253,2.3823006713145203,-4.690154446650475,-8.198570028001155E-15,7.146902013943565,0.0052702222222222135,1.2212453270876723E-16,-9.222888888888259E-4,-3.634636015325604E-4,-1.951934156378737E-4,2.5096296296293983E-4,-4.940833333333474E-4,-4.7393534965468923E-17,7.528888888888103E-4,0.22364984107755553,6.161737786669619E-16,-0.03913872218857189,-0.015424126970865872,-0.008283327447316946,0.010649992432264431,-0.020967172601020906,-2.391249591500337E-16,0.03194997729679323,1.214869486321998,-1.0066022089934753E-14,-0.21260216010635488,-0.08378410250496622,-0.0449951661600731,0.05785092792009725,-0.11389401434268616,4.0935915625922435E-15,0.17355278376029218,0.07209876543209875,-0.01148148148148141,-0.011450617283950604,-0.0032183908045977276,-0.0018884316415180976,0.008589065255731908,-0.005316358024691381,-0.0034377967711301427,0.001975308641975277,-0.03941390994359434,-0.19418780187708418,-0.06383973882873292,-0.023334179156844263,0.07342197305204778,-0.0751167277383062,-0.013589464781312776,0.10228994879027435,-7.30697008457035E-16,-0.17500000000000016,-0.06896551724137921,-0.03703703703703683,0.04761904761904788,-0.09374999999999968,4.3679292905911727E-16,0.14285714285714324,3.5033602733886383E-16,-0.17499999999999988,-0.06896551724137946,-0.03703703703703719,0.04761904761904756,-0.09375000000000017,-1.6387859906703607E-16,0.1428571428571428,2.317255849171249E-14,-0.17499999999998833,-0.06896551724137816,-0.037037037037039686,0.04761904761904331,-0.09375000000000283,-8.992701439728896E-15,0.14285714285712817,2.755082568796863E-15,-0.17499999999999852,-0.06896551724137918,-0.03703703703703737,0.04761904761904709,-0.09375000000000033,-1.069193512492199E-15,0.14285714285714102,-8.285681880454095E-15,-0.17500000000000432,-0.06896551724138,-0.03703703703703629,0.04761904761904936,-0.09374999999999906,3.3695731176733564E-15,0.14285714285714843,-0.15924657534246478,-0.15881849315068478,-0.0446386395843178,-0.026192288178590057,0.11912915851271998,-0.07373715753424691,-0.047681770284510545,0.027397260273972168,1.4908560343852149,1.3518130029950153,1.014821861179533,0.9159746182579359,0.8164046633102306,1.0460076335447943,0.8468429023198704,0.5708475368915549,1.450000000000001,1.3775000000000013,1.050000000000001,0.9398148148148155,0.8285714285714292,0.9968750000000007,0.7807692307692312,0.5178571428571429,1.4500000000000008,1.3775000000000006,1.0500000000000005,0.9398148148148151,0.828571428571429,0.9968750000000005,0.7807692307692314,0.5178571428571433,1.4500000000000002,1.3775000000000002,1.05,0.9398148148148149,0.8285714285714286,0.9968750000000001,0.780769230769231,0.5178571428571431,1.4500000000000006,1.3774999999999997,1.0499999999999996,0.9398148148148148,0.8285714285714288,0.9968750000000003,0.7807692307692311,0.517857142857143,1.4500000000000013,1.3775000000000002,1.05,0.9398148148148151,0.8285714285714293,0.9968750000000011,0.7807692307692313,0.5178571428571431,1.6635273972602742,1.1731592465753424,0.8839897260273973,0.8391203703703706,0.727128180039139,1.2569563356164388,1.1602673867228666,0.8778742661448143,55.12321989496296,27.561609947481493,42.55768479701098,55.123219894962986,5.512321989496298,27.56160994748645,3.197442310920451E-14,0.16286914112336268,0.01628691411233627,-1.8148082157981653,52.10125507290877,5.210125507290877,3.9531890381603163,55.12321989496296,27.561609947481493,42.55768479701098,55.123219894962986,5.512321989496298,27.56160994748645,3.197442310920451E-14,0.16286914112336268,0.01628691411233627,-1.8148082157981653,52.10125507290877,5.210125507290877,3.9531890381603163,55.12321989496296,27.561609947481493,42.55768479701098,55.123219894962986,5.512321989496298,27.56160994748645,3.197442310920451E-14,0.16286914112336268,0.01628691411233627,-1.8148082157981653,52.10125507290877,5.210125507290877,3.9531890381603163,55.12321989496296,27.561609947481493,42.55768479701098,55.123219894962986,5.512321989496298,27.56160994748645,3.197442310920451E-14,0.16286914112336268,0.01628691411233627,-1.8148082157981653,52.10125507290877,5.210125507290877,3.9531890381603163,55.12321989496296,27.561609947481493,42.55768479701098,55.123219894962986,5.512321989496298,27.56160994748645,3.197442310920451E-14,0.16286914112336268,0.01628691411233627,-1.8148082157981653,52.10125507290877,5.210125507290877,3.9531890381603163,55.12321989496296,27.561609947481493,42.55768479701098,55.123219894962986,5.512321989496298,27.56160994748645,3.197442310920451E-14,0.16286914112336268,0.01628691411233627,-1.8148082157981653,52.10125507290877,5.210125507290877,3.9531890381603163,59.546837205497965,29.614175856180534,46.02165616707002,59.49017053883131,5.949017053883131,29.614175856181177,-0.09444444444443079,0.12382768777360761,0.012382768777360761,-2.088864294516014,52.94017588908667,5.294017588908667,3.9691625192166824,0,11.899999999999999,12.100171725916232,-0.15127034075079843,0.04891683096182284,5.216167653063401,8.911568438591122,10.0,30.0,30.0,30.0,10.0,0.0,0.0,0.0,0.0,0.0,21.864139999999995,3.651218667345116,3.305595328663094,2.888757465059347,2.7501294719455007,2.4225071311238326,1.8131686713668809,1.4567974870365528,1.3342611626898564,2.009715586633753,1.790151186571353,1.4734526907739798,1.3728744165178637,1.1861928992673114,0.8586405701416194,0.6662064014268079,0.600615592283295,3.675358958700591,3.3389324295872593,2.9284878050070575,2.792995693681248,2.477952898442232,1.8951680159408393,1.556142906940869,1.439976054199162,1.9569829511270085,1.7208727338374525,1.3901075860011416,1.2852290050479285,1.0840515108746458,0.7287945218556691,0.522081791788306,0.45176552274978365,3.781404037119474,3.484669513287879,3.1040260052140276,2.981537655322026,2.7169845888002273,2.2379217926378376,1.9628467004754977,1.8693929234950892,1.80257486476175,1.5135453389059912,1.1390165937600325,1.0189282736728755,0.7633688560068514,0.30226354104470843,0.037619228519400874,0.052237043941004285,3.693133959244033,3.3634554551651776,2.9578398213797055,2.8246242639791506,2.5186223453452343,1.9547643141009596,1.627873750349141,1.5161086847601717,1.923478018154417,1.6764297245104287,1.3364340522253095,1.2285965048401608,1.017209140517924,0.6423593395869889,0.4253470184701718,0.35160361092714115,3.833063294498189,3.554961205077943,3.1892437444339707,3.0724805342736494,2.8292020843042733,2.392380010107538,2.14154849391796,2.056415205268034,1.754539027019964,1.4479039302726604,1.0595402151180975,0.9339036709558691,0.6573935234617093,0.15421505852590825,0.13516428868844044,0.23359764075262343,3.6988220180665583,3.449747510077916,3.0438760918021597,2.877147816792072,2.629180785787014,2.096297644352613,1.7690191995101763,1.666524910841494,1.8954322087571582,1.57906030673456,1.2242699359175673,1.1385844169014798,0.8697879171255295,0.46427756906424533,0.2467130341833789,0.16463904896343767,0,0,0,0,0,1,8,1,0,0.0,0.0,0.0,0.10206207261596577,0.07216878364870323,0.0,0.0,0.0,0.10206207261596577,0.07216878364870323,0.20412414523193154,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.4330127018922194,0.6123724356957946,0.6794123418055916,0.4330127018922194,0.6123724356957946,0.6794123418055916,7.234204518682008,4.931851652578137,3.6462643699419734,2.6906706976806576,1.96861408080004,1.5134200059864023,0.637136847124151,0.348461712529338,0.7234204518682008,0.49318516525781375,0.33147857908563394,0.2242225581400548,0.15143185236923384,0.10810142899902873,0.07964210589051887,0.058076952088223,7.234204518682008,4.931851652578137,3.6462643699419734,2.6906706976806576,1.96861408080004,1.5134200059864023,0.637136847124151,0.348461712529338,0.7234204518682008,0.49318516525781375,0.33147857908563394,0.2242225581400548,0.15143185236923384,0.10810142899902873,0.07964210589051887,0.058076952088223,15.418278037858748,28.878368536052434,27.254901960784323,27.59999999999999,17.98554491017964,230.28255089820362,0.5139426012619582,0.9626122845350812,0.9084967320261441,0.9199999999999997,0.5995181636726546,7.676085029940121,3.7569000000000026,46.10000000000002,44.388019187031496,65.39551953257775,88.77603837406299,8.877603837406301,44.388019187031496,0.15579985554476933,0.015579985554476932,-1.8591830727296845,41.52791129731682,4.152791129731682,3.7263657625497326,107,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,8.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9999999999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2944706632653062,0.0,11.93358489229025,0.0,0.0,0.0,1.1052777777777776,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2944706632653062,0.0,1.3854166666666667,0.0,0.0,0.0,1.1052777777777776,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2944706632653062,0.0,1.527777777777778,0.0,0.0,0.0,1.1052777777777776,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.333333333333332,1.5333333333333332,0.2,2.2944706632653062,0.2,1.1052777777777776,7.212942300170067,0.22805555555555565,0.29447066326530613,0.7593518518518518,0.22805555555555565,0.29447066326530613,0.7593518518518518,5.0,0.5,0.0,0.0,0.43333,0.7,0.43333,0.43333,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.1,0.1,0.0,5.0,0.5,5.0,0.5,0.0,0.0,-5.0,-0.5,0.0,0.0,10.92787,1.09279,10.92787,0.0,0.0,4.93185,0.49318,4.93185,0.0,0.0,-0.01785,-0.00178,0.06815,0.00682,0.2,10.0,0,0,0,0,0,0,1.0,0.9182958340544896,1.2256051990169436,2.1898980954642875,2.8980685120588383,2.9445317488326235,3.238920595031593,27.548875021634686,36.76815597050831,65.69694286392863,86.94205536176514,88.3359524649787,97.16761785094779,0.18714414274415034,0.24977226924802723,0.44629038548855426,0.5906120088865442,0.600080986412835,0.6600759751868738,3.988594761554029,3.681285396591575,2.716992500144231,2.0088220835496804,1.9623588467758952,1.6679700005769256,0.18714414274415034,0.24977226924802723,0.44629038548855426,0.5906120088865442,0.600080986412835,0.6600759751868738,6.732876570223358,10.420588949772808,15.512702272694312,15.770197664424748,16.692866148893646,18.03555673595612,39.49875002403854,34.17045587164787,27.12459603162214,27.213994514305007,26.515763418597512,22.944690398175506,8.1,4.760330578512397,3.111111111111111,4,0,4,2.56,1.4090000000000011,0.0,2.142414564136346,0.25,0.0,11.467501125105276,4.687307279772606,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.089,0.084,0.23800000000000002,0.23299999999999998,4.8919999999999995,11.0,12.0,13.0,14.0,8.0,6.0,4.0,2.0,0.0,90.0,2.3978952727983707,2.4849066497880004,2.5649493574615367,2.6390573296152584,2.70805020110221,2.1972245773362196,1.9459101490553132,1.6094379124341003,1.0986122886681098,0.0,4.51085950651685,1.0,0.42857142857142855,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.3,4.0,0.4,1,4.0,7.0,0.75,1.0,0.44444444444444464,0.1875,0.1511111111111111,0.09027777777777779,0.060408163265306125,0.027777777777777776,0.0,0.0,0.0,0.1,0.04040404040404042,0.020833333333333332,0.025185185185185185,0.018055555555555557,0.020136054421768707,0.027777777777777776,0.0,0.0,0.0,0.25239194667766096,27.561609947481493,42.55768479701098,55.123219894962986,5.512321989496298,27.56160994748645,0.16286914112336268,0.01628691411233627,-1.8148082157981653,52.10125507290877,5.210125507290877,3.9531890381603163,0.0,169.15984625866682,4.321928094887363,3.7612001156935624,4.48863636973214,5.241747015059643,5.993961427306569,6.7580945044277305,7.518064181233078,8.28576542051433,9.048409504829962,9.817439347910675,80.9133178867077,3.044522437723423,0.0,4.174387269895637,0.0,5.517452896464707,0.0,6.955592608396297,0.0,8.438366410870266,8.701346403039162,140.15650064,4.671883354666666,19.704545566963468,1.9704545566963467,0.0,0.0,0.0,133.0,9.0,5.629,42.0,1.2292662349308072,2.1084877989247834,2.8199236328788713,3.546497599444049,4.296175875198568,5.047498298145153,5.824276113194598,6.622563586828911,7.588448160379818,0.0,79.27849437127237,80.19553315081785,65.73807255953412,65.42453595544528,80.51747079679403,85.08603428047094,55.1475101660124,25.43724605341328,7.71034899162816,0.0,291.5000554918815,350.37829658659626,335.50310832674876,363.59475625474477,432.5901294330196,505.86088443829044,434.9909879211505,346.9594240458171,235.87738324460918,0.0,8.955521784755513,15.060981831634418,19.78258283770723,24.710843671863366,29.870283145706203,35.18860142908247,40.16277170791611,45.16677012821935,50.98271578137803,0.0,2.1851866806185276,2.864574471878882,2.9745294998097234,3.357117483879583,3.983819686454889,4.741507814780093,4.484860610241287,4.072828214371949,3.373921979882521,0.0,175.3995389054222,321.8411655676813,457.2017701001569,587.6866595571684,717.2048699369044,834.3577263516146,996.0175105200576,1170.9970463855943,1403.2380163251673,0.0,2.261208983613159,3.3297106175644613,3.952511380188609,4.767493612936469,5.7724705825543206,7.130604080724818,7.593604919634861,7.815409198942389,7.588448160379818,0.0,0.4521672571485793,0.6025478128519626,0.6354428778318812,0.7225244513745673,0.8576348256923784,1.0223958278869996,0.982500222471915,0.9102536742152159,0.7770570916228934,0.0,393.0203095475535,205.16735824138283,10.16880302962566,84.87991028884723,-44.30963626733718,-4.545969632193077,308.1403992587063,249.47699450872,14.714772661818738,0.822389890680728,0.4293100311015082,0.021278088202400784,0.17761010931927193,-0.09271733811402236,-0.009512382383396465,187.8244923329461,98.04952560681045,4.859673203331161,40.56412778673407,-21.175584913031393,-2.1725198865946735,0.057237135118959774,0.1248321749444263,1.0066311193765973,1.1777410682228147,477.90021983640077,0.0,1.0,0.0,682.885174357221,26.132071757846163,8.806078678735206,876.6258959929735,29.60786881882878,9.570576490415872,1188.8473089026636,34.479665150674876,10.593562333168501,1.4181972525463764,1.4010957998902296,789.6624102007074,733.9111696428828,194.05864724775358,1.0759645620122567,4.069194655327829,3.7819039762031452,4.652106009306769,4.681932691325124,8.190537082743864,0.7493923178177306,5.578631073982193,8.804913229954485,8.814704087170389,19.89662065702188,20.472985335737903,9.18537085528641,13.649383989760267,16.9580476539037,8.895927531411063,7.006867243485399,6.352173350415078,9.807935644721859,5.852504408368202,1.7176521678037049,2.154574736083659,6.954653699736472E-5,3.497145787561893E-29,3.402698549704582E-75,6.385714624641426E-143,2.311380480164349E-232,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.46874377058451816,7.477438472931131,0.6605939844335024,6.657306146750863,1.022874031204699,1.5477816299130813,1.927624259535024,1.9220757508187873,1.6211314740520513,0.790188921619064,1.1143752692800017,0.6005513626910954,0.19259820698252245,0.13450038229815692,0.015174846035749895,4.898219465648733E-7,2.463068372692118E-31,2.3965484108186795E-77,4.497511023112716E-145,1.6279241712481714E-234,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.51178070114241,7.5661438943295005,2.16023026799723,7.742623914044184,3.7072445682579023,2.807208248971654,3.192256952648788,3.8829673857967535,2.631333452305441,1.5864939357720813,1.7517621295836587,1.9270937758111102,0.818452130910165,0.44054246219405296,0.1581335955595607,5.104322337911848E-6,2.5667071479149123E-30,2.4973882189267712E-76,4.6867532460060083E-144,1.6964225000539357E-233,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.26580743234138,8.65916845722189,8.257217561279493,18.51403986323639,18.82738582282926,8.611825820803816,12.532727189130469,15.645486736519672,8.282622801015227,6.459078184107602,5.878776933908332,9.04867518877498,5.318705862478019,1.6146787546939263,1.9196872998728547,6.196471238061998E-5,3.1158939357049607E-29,3.031743147158954E-75,5.689556765071109E-143,2.059398394789812E-232,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2277928570644088,7.681154293774986,3.2386135495569053,8.967813547820946,5.9317649400735615,3.760713130873201,4.395322623184229,5.558126557600066,3.4657652742025937,2.273472398047186,2.3175065288630106,3.0018853732653286,1.4052869620189232,0.6557119451215285,0.34348730041423087,1.1087270191325176E-5,5.5752309056916244E-30,5.424660929074666E-76,1.0180254325356113E-143,3.6848563573349624E-233,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.736876218352038,9.41775013089976,10.945018480152726,25.66524827750805,27.082379033637835,11.42927922193133,18.23696311327358,22.26303540389057,11.357410021063531,9.224936224753185,8.278374466991153,12.841214243894976,8.041588811725237,2.105790224635279,3.1422447622551504,1.0142708811772197E-4,5.10025846389736E-29,4.962516043782439E-75,9.312964640535215E-143,3.370931203146683E-232,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7174769592423837,7.816492495932752,5.324887888252488,12.3857243657374,10.93782367422447,5.722080341536905,7.581291913781969,9.481691490529794,5.620900502966994,4.229338269813352,3.8096413429492486,5.776602171788712,3.1126534294150767,1.2067262055871228,0.9164070238543732,2.9580285112300686E-5,1.487443860494189E-29,1.447272540044482E-75,2.7160411919552383E-143,9.831013384441938E-233,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.578111037431475,1.4421051876927515,0.9584439445106843,0.6991287909040897,0.18074528267052886,0.5067429132370123,0.543411020215117,0.42380272043629974,7.97866016963491,14.772706594732094,30.461303457243137,0.5486931863561346,1.473956653888429,4.7596057938357195,0.892631759125752,0.4939519920005203,0.7743994484740794,0.14523336005109683,0.3701285048140941,0.20904938889770816,0.11274244268670164,6.146189544961992,7.040509291042166,15.285291064897097,0.6615991727111191,0.6919203363985039,5.08445850708889,1.1109721909964918,0.6785566991362184,0.7396665447981442,0.16161975965296882,0.4217801480160235,0.32335392515385997,0.21268779836298213,6.8739873972216,9.852643011871308,20.55958821224191,0.6094998171972165,0.9578218715328656,5.557824827071886,1.4285121388952182,0.9469563940466793,0.7005696846009776,0.18006546261044057,0.5030974407483993,0.5332766135623083,0.41373176034212095,7.933293360013783,14.555176692212632,30.006754805303572,0.5508545269014663,1.4501058146528285,5.22935989719833,1.2082484074607003,0.7607885510482073,0.7264617389151364,0.1678496520378343,0.44590916778349,0.38218162180055126,0.26728565581428254,7.198396855707237,11.216024462146185,23.22136165535244,0.5896926083727047,1.095376445398324,5.641628511045372,1.4846582636660748,0.9944047634468767,0.6947226704198675,0.1828241174646042,0.5182425700715358,0.5757435542224401,0.4561041143301314,8.120691538158324,15.462303903919185,31.91202074346311,0.5420840056298013,1.5500902386241073,5.577325783346106,1.4315202726192462,0.9494126880897216,0.7008223736772121,0.17987857880200375,0.5065222545844371,0.5353641131962958,0.415761680380608,7.958258744055074,14.638342300263078,30.176764093336747,0.5512335605158183,1.457648048161341 +UMLCN0234,L,hept-2-ene,CCCCC=CC,Olefins,,C7H14,NREL (2014),"20% Blend, CFR",PubChem,,44,0,0.6382000000000005,0.4072992400000007,32.2248,21.65510199999999,0,0,21,7,14,0,7,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1024.0737430000001,1035.0839579999997,996.8211169999996,827.4124360000001,643.7788590000001,450.07032200000015,264.40461700000026,81.787104,9.144576,3399.7907342783346,4147.41403968324,4921.543768776428,4495.7382066557775,3634.760222502106,2721.2131108397707,1798.06763782423,968.1733981014837,279.75369987837234,146.842108,144.889944,254.7566600000002,299.76635200000015,250.71754800000022,207.98804000000013,145.502308,103.17196799999998,60.46617599999999,25.746880667885982,32.32302034000001,42.44399096364104,41.20519998698006,33.741828342433,26.05413819758398,17.701540743339,10.682782003641003,4.001516143641,3476.4076209694867,2904.4818045206007,5666.926698352042,7114.858871390082,5973.943916088634,5049.741717122784,3538.9914577728396,2582.994154495641,1664.258868218241,36.75,43.5,62.25,65.5,55.0,45.0,31.5,21.0,9.0,48.76541633333334,51.75419789999999,27.689475472222213,19.242149674418606,17.882746083333338,15.002344066666671,12.59069604761906,5.4524736,1.016064,161.89479687039687,207.370701984162,136.70954913267855,104.55205131757621,100.9655617361696,90.70710369465903,85.62226846782048,64.54489320676558,31.08374443093026,6.992481333333333,7.2444972000000005,7.076573888888895,6.971310511627911,6.964376333333339,6.932934666666671,6.9286813333333335,6.878131199999999,6.718463999999999,1.2260419365659991,1.6161510170000004,1.178999748990029,0.9582604648134898,0.9372730095120279,0.8684712732527994,0.8429305115875714,0.7121854669094002,0.444612904849,165.54322004616603,145.22409022603003,157.41463050977893,165.46183421837398,165.94288655801762,168.32472390409282,168.5234027510876,172.1996102997094,184.917652024249,1.75,2.175,1.7291666666666667,1.5232558139534884,1.5277777777777777,1.5,1.5,1.4,1.0,0.04425573746256943,-0.0027246135019677303,-0.02240580709425463,-0.002754174562986004,0.003623631834305123,-4.825238205173936E-4,-0.0026419260451626472,-3.612430707588372E-4,0.005618787530057392,564.9747086666667,-53.80711511111061,-201.77668166666643,-26.903557555555718,-40.355336333333526,-2.1671553440683056E-13,-40.3553363333335,-40.355336333333526,121.06600899999974,1050.5945960497056,-100.05662819521007,-375.21235573203774,-50.02831409760489,-75.04247114640741,1.4210854715202004E-13,-75.04247114640741,-75.04247114640746,225.12741343922266,0.11067466666666656,-0.010540444444442994,-0.03952666666666571,-0.005270222222222391,-0.007905333333333542,-4.518954654919582E-16,-0.007905333333333667,-0.007905333333333778,0.02371599999999929,4.696646662628665,-0.4472996821551044,-1.6773738080816607,-0.2236498410775563,-0.3354747616163346,-2.581268532253489E-15,-0.33547476161633505,-0.3354747616163355,1.0064242848489968,25.512259212761954,-2.4297389726439804,-9.111521147414972,-1.2148694863219975,-1.8223042294829979,-4.218847493575595E-15,-1.8223042294830032,-1.822304229483004,5.466912688448986,3.309523809523809,-0.36621315192743764,-0.9353741496598644,-0.41950113378684906,0.017006802721087788,0.02210884353741427,-0.047619047619048144,-0.5425170068027214,0.6173469387755098,0.0021074160696461634,-1.3623067509838652E-4,-6.22383530395962E-4,-6.405057123223266E-5,1.0065643984180896E-4,-1.6084127350579786E-5,-1.2580600215060224E-4,-2.4082871383922478E-5,6.243097255619325E-4,26.903557555555558,-2.6903557555555304,-5.6049078240740675,-0.6256641291989702,-1.1209815648148203,-7.223851146894351E-15,-1.9216826825396904,-2.690355755555568,13.451778777777749,50.028314097605026,-5.002831409760503,-10.422565437001047,-1.163449165060579,-2.0845130874002056,4.736951571734001E-15,-3.5734510069717813,-5.002831409760498,25.014157048802517,0.005270222222222217,-5.270222222221497E-4,-0.0010979629629629365,-1.2256330749354399E-4,-2.1959259259259837E-4,-1.5063182183065275E-17,-3.764444444444603E-4,-5.270222222222518E-4,0.002635111111111032,0.22364984107755548,-0.02236498410775522,-0.04659371689115724,-0.005201159094826891,-0.009318743378231516,-8.604228440844963E-17,-0.015974988648396908,-0.0223649841077557,0.11182492053877742,1.2148694863219978,-0.12148694863219903,-0.2530978096504159,-0.02825277875167436,-0.050619561930083275,-1.4062824978585316E-16,-0.08677639188014301,-0.12148694863220028,0.6074347431609984,0.15759637188208614,-0.018310657596371883,-0.025982615268329567,-0.009755840320624397,4.72411186696883E-4,7.369614512471423E-4,-0.0022675736961451495,-0.03616780045351476,0.06859410430838998,-0.06464346412678715,-0.2953301625437736,-0.030392940508889063,0.047762964936823915,-0.007632155596725768,-0.059696803095804975,-0.011427677586213911,0.29624417055278246,-0.09999999999999906,-0.20833333333333307,-0.02325581395348851,-0.041666666666666866,-2.6850914166192246E-16,-0.07142857142857172,-0.10000000000000046,0.4999999999999989,-0.10000000000000002,-0.20833333333333334,-0.02325581395348831,-0.04166666666666659,9.468541279428742E-17,-0.0714285714285713,-0.09999999999999991,0.5000000000000001,-0.09999999999998634,-0.2083333333333285,-0.023255813953489142,-0.0416666666666678,-2.8581683177514675E-15,-0.07142857142857452,-0.10000000000000571,0.4999999999999855,-0.09999999999999853,-0.20833333333333265,-0.02325581395348846,-0.04166666666666684,-3.8471873708424673E-16,-0.07142857142857183,-0.10000000000000069,0.49999999999999856,-0.09999999999999938,-0.2083333333333331,-0.02325581395348837,-0.04166666666666669,-1.1575584980046164E-16,-0.07142857142857169,-0.10000000000000041,0.4999999999999996,-0.11618705035971226,-0.16486810551558764,-0.061903965199933235,0.002997601918465114,0.0046762589928056085,-0.014388489208633254,-0.229496402877698,0.4352517985611509,1.373421492934096,1.3823594313119103,0.9969127096825141,0.8643835222017046,0.9459942842887676,0.9763372118242074,0.657527898416557,0.003972093917798022,1.5000000000000004,1.3095238095238102,0.9468438538205984,0.9523809523809528,0.8571428571428573,0.9183673469387756,0.857142857142857,0.0,1.5,1.309523809523809,0.9468438538205979,0.9523809523809523,0.8571428571428573,0.9183673469387756,0.8571428571428573,0.0,1.4999999999999993,1.3095238095238089,0.9468438538205975,0.952380952380952,0.8571428571428569,0.9183673469387754,0.8571428571428571,0.0,1.5000000000000009,1.30952380952381,0.9468438538205985,0.9523809523809528,0.8571428571428577,0.918367346938776,0.8571428571428575,0.0,1.5000000000000013,1.309523809523811,0.9468438538205991,0.9523809523809533,0.8571428571428578,0.918367346938776,0.8571428571428578,0.0,1.5107913669064752,1.154076738609113,0.9310690982098044,0.8812949640287773,0.9316546762589929,0.971223021582734,1.2086330935251801,0.0,30.31166462776124,15.155832313880627,24.459054432800464,30.311664627761253,4.330237803965892,15.155833109069192,1.4210854715202004E-14,0.08754744280655291,0.012506777543793273,-1.7049021003380205,27.539343825114468,3.9341919750163528,2.3209309667376647,30.31166462776124,15.155832313880627,24.459054432800464,30.311664627761253,4.330237803965892,15.155833109069192,1.4210854715202004E-14,0.08754744280655291,0.012506777543793273,-1.7049021003380205,27.539343825114468,3.9341919750163528,2.3209309667376647,30.31166462776124,15.155832313880627,24.459054432800464,30.311664627761253,4.330237803965892,15.155833109069192,1.4210854715202004E-14,0.08754744280655291,0.012506777543793273,-1.7049021003380205,27.539343825114468,3.9341919750163528,2.3209309667376647,30.31166462776124,15.155832313880627,24.459054432800464,30.311664627761253,4.330237803965892,15.155833109069192,1.4210854715202004E-14,0.08754744280655291,0.012506777543793273,-1.7049021003380205,27.539343825114468,3.9341919750163528,2.3209309667376647,30.31166462776124,15.155832313880627,24.459054432800464,30.311664627761253,4.330237803965892,15.155833109069192,1.4210854715202004E-14,0.08754744280655291,0.012506777543793273,-1.7049021003380205,27.539343825114468,3.9341919750163528,2.3209309667376647,30.31166462776124,15.155832313880627,24.459054432800464,30.311664627761253,4.330237803965892,15.155833109069192,1.4210854715202004E-14,0.08754744280655291,0.012506777543793273,-1.7049021003380205,27.539343825114468,3.9341919750163528,2.3209309667376647,35.10544131761554,17.481292087379202,28.89824390446807,35.00340050128902,5.000485785898432,17.481292163383667,-0.1428571428571388,0.1835348322757117,0.0262192617536731,-1.186745565484753,21.80287736487755,3.1146967664110785,2.15742936520986,0,11.889999999999995,12.110094255809829,-0.1811259005060296,0.04337759769865267,5.108787685584404,7.182011159071841,6.0,20.0,19.0,19.0,5.0,1.0,1.0,0.0,0.0,1.0,15.304897999999996,3.5022838333345447,3.1746896489483536,2.6478199026881457,2.141038364033654,1.6624749155605645,1.2287015646844983,0.7655856111246062,0.08392307051869151,1.8857686897144683,1.6761713931841886,1.3750662142125283,1.0239994725659383,0.748879161814247,0.560297645488602,0.2649497697635606,0.08392307051869106,3.5269634307161883,3.208895978003716,2.7004404819521506,2.208289868405576,1.7496335095256896,1.3441645403185596,0.9002599492697128,0.2709139018929376,1.8275828723917766,1.6040595013631451,1.2773073084010735,0.9107222233502478,0.6163828342505497,0.4077741269157867,0.09842157826845443,0.270913901892937,3.6376645426753753,3.3590693817817585,2.9273761598290715,2.492296557659708,2.1099360441394257,1.802986041789712,1.4261575447822628,0.943918426802623,1.660172369004497,1.388928623686732,0.9714777039209196,0.5462908203139807,0.17690155872689006,0.1146809162926168,0.4810328743214402,0.9439184268026208,3.5452646451745786,3.234096227391671,2.739031931348242,2.257297879114512,1.8127392745018451,1.4266244944269884,0.9958859524683243,0.39927724550898225,1.7908392392347288,1.5578504323071094,1.2134208773509851,0.8359277345990964,0.5278825879040877,0.304750690759696,0.014671876292392834,0.3992772455089816,3.692798025805657,3.4318053105704127,3.034124997420951,2.6223301647577872,2.270371887875671,1.9989046809585036,1.646285724877906,1.2076448229620897,1.6092877211277528,1.3210972793944649,0.8707581101432964,0.42240372135217785,0.022514210501288746,0.30578947232846315,0.6971645386582526,1.2076448229620869,3.579450780483696,3.26774514532674,2.795034570834007,2.3502577422987083,1.8757987104859506,1.4954876062341007,1.1424476815534126,0.5600000000000006,1.792098626104321,1.4707650264375334,1.1330832574051075,0.7302195771803696,0.4248098062707254,0.2044428351211107,0.16919689130255572,0.5599999999999998,0,0,0,2,0,2,3,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.535533905932738,3.414213562373095,2.060660171779821,1.2071067811865475,0.6767766952966369,0.35355339059327373,0.17677669529663687,0.0,0.7907905579903911,0.5690355937288492,0.4121320343559642,0.30177669529663687,0.22559223176554563,0.17677669529663687,0.17677669529663687,0.0,5.276020881938894,3.02603867417337,1.7112641189169358,0.9600464628873878,0.48864194209635614,0.23570226039551587,0.11785113019775793,0.0,0.7537172688484135,0.5043397790288949,0.3422528237833872,0.24001161572184695,0.16288064736545205,0.11785113019775793,0.11785113019775793,0.0,10.792794626501124,20.214857975236704,19.078431372549026,19.320000000000004,12.589881437125744,161.19778562874254,0.5139426012619582,0.9626122845350812,0.9084967320261441,0.9200000000000002,0.5995181636726544,7.676085029940121,2.678890000000001,34.06899999999998,16.625382301558535,26.723216980603148,33.25076460311708,4.750109229016725,16.625382474771918,3.3306690738754696E-16,4.7580986769649563E-17,-24.9467317967063,2000010.7099194438,285715.8157027777,10.156064165428724,54,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,4.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,3.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.31861111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6334722222222222,0.0,0.0,0.9762500000000001,0.5805555555555556,0.0,0.6334722222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.276944444444444,0.0,3.9044444444444446,0.0,4.31861111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1068055555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3063194444444445,0.0,0.0,0.21694444444444444,0.2902777777777778,0.0,0.3063194444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.065138888888889,0.0,1.2569444444444444,0.0,2.1068055555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2118055555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3271527777777778,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.3271527777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2118055555555554,0.0,1.3376388888888888,0.0,2.2118055555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.5,1.7857142857142858,0.3271527777777778,2.2118055555555554,0.21694444444444444,1.2569444444444444,4.938793333333333,0.24305555555555555,0.21180555555555555,1.191111111111111,0.24305555555555555,0.21180555555555555,1.191111111111111,3.5,0.5,0.0,0.0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,-0.0,0.0,0.71429,0.0,0.0,0.28571,0.0,0.0,4.0,0.57143,3.0,0.42857,1.0,0.14286,-2.0,-0.28571,0.0,0.0,5.52313,0.78902,6.60412,1.08099,0.15443,2.81066,0.40152,3.41421,0.60355,0.08622,-2.1E-4,-3.0E-5,-2.1E-4,-3.0E-5,0.0,6.0,0,0,0,0,0,0,0.7142857142857143,0.9182958340544896,2.058053136652385,3.3680424225727155,3.653756708287001,3.6537567082870006,3.290069569210082,19.28421251514428,43.21911586970009,70.72889087402703,76.72889087402702,76.72889087402702,69.09146095341173,0.2090686409165615,0.46855746945319265,0.7668030559690181,0.8318516984538618,0.8318516984538618,0.7490509570523364,3.474021588724271,2.3342642861263756,1.0242750002060452,0.7385607144917596,0.7385607144917601,1.1022478535686786,0.2090686409165615,0.46855746945319265,0.7668030559690181,0.8318516984538618,0.8318516984538618,0.7490509570523364,6.732876570223358,16.07411706407833,19.488104671033025,19.776054680175882,19.776054680175882,17.11042064777965,27.64912501682698,17.701015636705154,14.305968500020716,13.547722108221308,13.547722108221308,12.703182227577994,7.0,6.0,6.0,7,2,7,2.23,1.0519000000000005,0.16666666666666669,3.838519496373775,0.0,0.0,5.6762400186093895,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.10699999999999998,0.088,0.22700000000000004,0.17600000000000002,3.207,5.0,4.0,3.0,2.0,1.0,0.0,0.0,0.0,0.0,28.0,2.0794415416798357,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.0986122886681098,0.0,0.0,0.0,0.0,3.6635616461296463,1.3571428571428572,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.5,5.0,0.8333333333333334,0,3.0,6.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.0,0.0,0.0,0.0,0.0,0.08333333333333333,0.04444444444444447,0.03125,0.026666666666666672,0.027777777777777776,0.0,0.0,0.0,0.0,0.0,0.21347222222222223,16.625382301558535,26.723216980603148,33.25076460311708,4.750109229016725,16.625382474771918,3.3306690738754696E-16,4.7580986769649563E-17,-24.9467317967063,2000010.7099194438,285715.8157027777,10.156064165428724,0.0,126.99189238106678,3.807354922057604,3.1354942159291497,3.713572066704308,4.31748811353631,4.919980925828125,5.53338948872752,6.142037405587356,6.7580945044277305,7.368339686311381,7.98514393119862,62.8735403382505,2.5649493574615367,0.0,3.4965075614664802,0.0,4.574710978503383,0.0,5.720311776607412,0.0,6.900730664045173,7.275172319452771,98.109550448,4.671883354666666,12.83378877709787,1.8333983967282672,0.0,0.0,0.0,56.0,4.0,3.912,22.0,1.2112281696192613,2.106128671876581,2.8942762145652883,3.675436080570034,4.994911089788404,6.023478696261194,7.337497802079754,8.219037594419827,0.0,0.0,73.490919054974,66.47486692254512,67.93005538005826,84.09794924875926,88.48433836005553,88.76016803366858,42.29145328961295,8.351068214336586,0.0,0.0,276.41821856893887,311.80815345763216,334.32904037082255,434.2822311073988,495.65652880410084,565.7076378058342,490.82438896334963,255.4784640531538,0.0,0.0,8.80931285572337,14.960643574971392,20.23579138096397,25.783555994464038,34.741565654277586,41.9006681162023,50.550471992803445,55.219308192756216,0.0,0.0,2.0944998722383774,2.6306492937889514,2.9572787331567025,3.863221134170796,4.609672745309502,5.422119606652965,5.363410271324054,3.654290179918137,0.0,0.0,173.74699221451496,327.44005812234826,474.84888483405683,595.868072503346,832.4693615278314,1002.3900459084185,1256.9667947021926,1519.8451338591462,0.0,0.0,2.7302409733862016,3.772395571747761,4.560037565809409,6.042547342037164,7.787098508733276,9.46313144415241,10.478423826840011,8.219037594419827,0.0,0.0,0.4342477530649507,0.556492477776346,0.6320826249953893,0.8256885733254887,0.9935890569543074,1.1733765617711602,1.183551195939978,0.8416294496685904,0.0,0.0,346.16581131375204,149.40102409737898,10.07654544546037,103.3088200440397,-44.58685118063883,-6.706793289643146,242.85699126971235,193.9878752780178,16.783338735103516,0.7701565053138593,0.332390336794008,0.022418496490048217,0.22984349468614082,-0.09919770342977759,-0.014921405618339316,155.5927504289196,67.15197023064599,4.529151549458335,46.43469380530319,-20.04065849782236,-3.0145334414552645,0.13180869594620628,0.21092368221247243,1.8165922020817673,1.863947567966144,449.47463135779174,0.0,1.0,0.0,394.9625443002146,19.873664591620102,7.3370019972612885,535.2249982123678,23.134930261670725,8.119179253942493,576.4182681137664,24.00871233768622,8.322348769586691,2.61959230513686,2.61959230513686,677.5889042582744,654.5867514360148,38.81425644128308,1.035139960855911,17.45721717697487,16.86459593593534,4.066789717819761,4.666927637107737,9.036221268317858,0.9362248508995374,5.74309433960951,4.913420935235564,2.666950532404983,20.270623962888205,8.318618640752629,2.511220812847701,3.6046280927912933,6.829577651482246,9.95486879751104,1.1830145274507553,1.903716779810051,3.8069365898200656,3.7691168307929837,2.862538464345179,1.1112484449481772,0.7333093967298,1.7542876480151794,9.101791477632246E-10,9.108144951472664E-41,1.7579639361590797E-93,6.544356741453874E-168,4.698951310087638E-264,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.481986049248132,4.90785676517315,0.21991361426028774,5.114573377627878,0.06635648991593593,0.08252813555946437,0.7810990580022261,0.2066273936002123,3.242277812456646,0.03402198522283172,0.058825656598811546,0.3730800017320076,0.1519498430038331,1.0701977653339705,0.048665746732599637,0.04341707844158713,0.012355591344800926,6.410466158754007E-12,6.414940962329173E-43,1.2381483742791038E-95,4.609243963125516E-170,3.3095098288041326E-266,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.555890414159534,4.908228703467634,0.712481111030667,6.206454754277673,0.6304964689401704,0.3497259278154501,1.3571955928245638,0.908536619708639,4.123090698694653,0.1528289387017637,0.25430299557174524,1.0711397903307172,0.5988180672555883,1.398116249661584,0.1864829798101541,0.15209836991840378,0.1287547880238242,6.680199986960442E-11,6.684863077294934E-42,1.2902460677402592E-94,4.803187584154302E-169,3.4487644061629295E-265,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.421013059981286,4.912810083885872,2.5146948829550912,18.63461382685414,7.4170880203849485,2.281684511382831,3.4316866642628256,6.194185362971487,9.370805877619503,1.0717336765807333,1.7267051753923024,3.5957053215516988,3.444563083216687,2.739391986898559,1.0182225224458996,0.6797044608328934,1.5630387109893618,8.109532342080974E-10,8.115193172887751E-41,1.5663142175393667E-93,5.830904035030914E-168,4.1866810195186435E-264,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.293092094000177,4.908710823624769,1.052669403973516,7.550370471677968,1.3504078670579989,0.6010101094892372,1.7527408271691325,1.583366662822944,4.873045227144287,0.26874790583747904,0.4422656675681779,1.5511861979325974,0.99212336423886,1.6344861303445808,0.304570247952796,0.23624783094011376,0.27967260465586796,1.451028702427461E-10,1.4520415879594162E-41,2.802586870362761E-94,1.043316526654216E-168,7.491177136943164E-265,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.935616347728426,4.915989453770857,3.2334662383788904,27.13210422282074,12.106587151930496,3.4528934716608393,4.245051147650147,9.44322892605146,12.31395896264062,1.6415221237927828,2.6318562651340716,4.590181117799895,5.087870769947331,3.3337325977683316,1.487445497484722,0.9446943802715548,2.558463663917717,1.3274107469447655E-9,1.3283373413934438E-40,2.5638251846722534E-93,9.544329258470509E-168,6.852978870927872E-264,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.233776434234162,4.516753608284589,1.520314469644421,9.678758967486813,2.638356647998386,0.9187886738272977,2.3254708129126636,2.465224766566122,6.253569359664682,0.4233953435689441,0.7782312540883672,2.351519198955156,1.4638171671888978,2.291009825199882,0.51507380272472,0.38600028873775194,0.5501446064175606,2.854321807385472E-10,2.856314256781827E-41,5.512974903794873E-94,2.0523102741199343E-168,1.473591130843483E-264,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.9271236757045624,0.81674171373463,0.3735555710596705,0.8694480281264567,0.08958034484457342,0.5616486023603586,0.5570889712735028,0.4761732727676557,9.117420960498864,9.74073220470215,21.276706052260266,0.8041720421896852,1.5949108464015171,6.610485465354395,0.31649269127968116,0.08053269082199893,0.943342880126142,0.04516478078583025,0.39063545531747834,0.08357478506965825,0.02213089615035653,7.007510847456074,2.65001852581418,9.826017480053702,0.9150143201892129,0.4963411365374931,7.133376640448578,0.5152101509948954,0.1969118676903228,0.9092317710288358,0.065669522535076,0.4548422142461756,0.22158558827931304,0.13231173449656258,7.8454986591337965,5.1812855663236395,13.75047236968327,0.8638476565432538,0.8087395370220511,7.894524148934108,0.804360231758489,0.36630115014790987,0.8708618397357989,0.08873069712936259,0.5570402190796563,0.5403209471320207,0.45785835582558404,9.065185530840507,9.536452627711014,20.927665580726263,0.8062927596036983,1.555219522037261,7.366466287157555,0.6037711738195254,0.2487868569092342,0.8962701656845795,0.07346020044077411,0.4850385874444418,0.3043605747439318,0.21120755381930786,8.219024317886314,6.4305503238358,15.756093993001329,0.8444052485268693,1.0006067160076815,8.029185033445481,0.8555038849834725,0.3962672260897736,0.8651247682263282,0.09217842123828239,0.5761992143355836,0.6112397544289957,0.5358347676072289,9.280956144518727,10.389710021740154,22.392625341787518,0.7976871523394923,1.7232737363718083,7.916122727823497,0.8042450798185318,0.36644638200740576,0.8711659072814053,0.08850682571837196,0.5600957826073995,0.5401537429497689,0.45822149311084026,9.086814189649434,9.562049987975977,20.981846078268948,0.8067488609221081,1.5584710186680084 +UMLCN0235,L,ethylcyclohexane,CCC1CCCCC1,Naphthenes,,C8H16,NREL (2014),IQT,PubChem,,35.8,0,-0.8955999999999991,0.8020993599999984,29.251500000000004,24.74868799999998,0,0,24,8,16,0,8,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1170.3699919999983,1347.8263759999995,1670.7343049999981,1449.9396309999966,815.3958990000002,344.2452730000008,76.792464,6.0963840000000005,0.0,3885.4751248895254,5223.9210759229345,7533.504306737892,7736.008112908975,5561.508657351859,2962.3418638645044,1071.0229927474766,186.50246658558157,0.0,167.81955200000002,174.20624000000004,341.85978000000006,482.9000919999998,437.3052599999998,308.74128400000006,143.083584,40.310784,0.0,29.425006477583977,40.12790896000001,62.507945443641056,69.83196787577201,54.442485040319106,31.71690748546996,12.681528027584006,2.6676774290939997,0.0,3973.0372811079847,3464.3156121264005,7399.084504415243,11271.421371547574,10553.38416469582,7818.039584798072,3724.2951709524846,1109.505912145494,0.0,35.27777777777778,43.33333333333333,74.16666666666666,95.33333333333333,84.41666666666666,56.0,24.5,6.0,0.0,48.76541633333326,56.159432333333314,34.80696468749996,21.01361784057966,12.94279204761905,7.649894955555573,3.6567839999999996,1.016064,0.0,161.8947968703969,217.6633781634556,156.94800639037274,112.11605960737644,88.27791519606126,65.82981919698899,51.00109489273698,31.083744430930263,0.0,6.992481333333334,7.258593333333335,7.122078750000001,6.998552057971011,6.94135333333333,6.860917422222224,6.813504,6.718464,0.0,1.2260419365659991,1.6719962066666672,1.3022488634091887,1.012057505445971,0.8641664292114144,0.7048201663437769,0.6038822870278098,0.44461290484899996,0.0,165.54322004616603,144.34648383860002,154.14759384198422,163.35393292097933,167.51403436025112,173.7342129955127,177.34738909297545,184.917652024249,0.0,1.4699074074074074,1.8055555555555554,1.5451388888888886,1.3816425120772946,1.3399470899470898,1.2444444444444445,1.1666666666666667,1.0,0.0,0.03286502476712973,-0.001666055359609021,-0.011594893770308706,-0.005843866244722225,-0.007829464693805865,0.0038773109335518184,0.002993425701229403,0.0036310310500997497,0.0,645.6853813333338,6.608047442568932E-13,-201.7766816666661,-161.42134533333348,-201.7766816666666,80.710672666666,80.71067266666628,80.7106726666665,0.0,1200.6795383425201,0.0,-375.21235573203774,-300.16988458563026,-375.2123557320383,150.08494229281524,150.08494229281513,150.0849422928151,0.0,0.12648533333333326,2.9351521213527576E-15,-0.039526666666663705,-0.031621333333332835,-0.03952666666666776,0.015810666666664072,0.015810666666665016,0.01581066666666592,0.0,5.367596185861331,1.226796442210798E-14,-1.6773738080816545,-1.341899046465333,-1.677373808081674,0.670949523232656,0.6709495232326598,0.6709495232326635,0.0,29.156867671727976,-1.1368683772161603E-13,-9.111521147415106,-7.289216917932009,-9.11152114741494,3.6446084589660934,3.644608458966058,3.6446084589660237,0.0,1.8287037037037026,-0.34722222222222243,-0.6018518518518526,0.05266203703703662,-0.33738425925926013,0.07118055555555504,0.052662037037037285,0.19560185185185192,0.0,0.0013693760319637386,-6.941897331704254E-5,-2.4156028688143138E-4,-8.469371369162645E-5,-1.2427721736199784E-4,8.616246519004041E-5,1.4254408101092397E-4,6.051718416832916E-4,0.0,26.903557555555576,2.7533531010703882E-14,-4.203680868055543,-2.339439787439616,-3.20280447089947,1.7935705037036889,3.8433653650793467,13.451778777777749,0.0,50.028314097605005,0.0,-7.8169240777507865,-4.350288182400439,-5.9557516782863225,3.3352209398403385,7.146902013943578,25.014157048802517,0.0,0.005270222222222219,1.222980050563649E-16,-8.234722222221605E-4,-4.5828019323670776E-4,-6.274074074074247E-4,3.513481481480905E-4,7.528888888888103E-4,0.002635111111110987,0.0,0.22364984107755545,5.111651842544992E-16,-0.034945287668367804,-0.019447812267613523,-0.026624981080661494,0.014909989405170134,0.031949977296793323,0.11182492053877725,0.0,1.214869486321999,-4.736951571734001E-15,-0.1898233572378147,-0.10564082489756535,-0.14462731980023716,0.0809912990881354,0.17355278376028846,0.607434743161004,0.0,0.07619598765432094,-0.014467592592592601,-0.012538580246913596,7.632179280729945E-4,-0.005355305702527939,0.0015817901234567787,0.002507716049382728,0.03260030864197532,0.0,-0.050693872023956074,-0.17640171964673904,-0.06184839789416525,-0.0907546316432744,0.06292096778302748,0.10409418427348273,0.44193254997712467,0.0,1.0234159907606054E-15,-0.15624999999999942,-0.08695652173913045,-0.11904761904761893,0.06666666666666607,0.14285714285714207,0.49999999999999856,0.0,0.0,-0.15625000000000008,-0.0869565217391305,-0.11904761904761929,0.06666666666666676,0.14285714285714296,0.5000000000000003,0.0,2.3205474057751832E-14,-0.1562499999999884,-0.08695652173912913,-0.11904761904762241,0.06666666666665577,0.14285714285712803,0.4999999999999768,0.0,2.2855602391295306E-15,-0.15624999999999895,-0.08695652173913046,-0.11904761904761964,0.06666666666666564,0.14285714285714146,0.4999999999999979,0.0,-3.899144414331335E-15,-0.15625000000000194,-0.08695652173913061,-0.11904761904761836,0.06666666666666843,0.14285714285714524,0.5000000000000037,0.0,-0.18987341772151922,-0.16455696202531678,0.010016510731975712,-0.07028330319469583,0.02075949367088594,0.03291139240506347,0.42784810126582323,0.0,1.4891222224567742,1.3128160034663956,1.0101639393281745,1.0012510962599575,0.7230113916432079,0.5669003476164086,0.004224615456680041,0.0,1.4374999999999996,1.34765625,1.0625,0.9925595238095237,0.6708333333333332,0.5133928571428568,0.0,0.0,1.4375000000000007,1.3476562500000002,1.0625,0.9925595238095238,0.6708333333333336,0.5133928571428575,0.0,0.0,1.437499999999999,1.3476562499999987,1.0624999999999991,0.992559523809523,0.6708333333333328,0.5133928571428569,0.0,0.0,1.4375000000000009,1.3476562500000009,1.0625000000000004,0.9925595238095245,0.6708333333333338,0.5133928571428574,0.0,0.0,1.4374999999999998,1.3476562499999996,1.0624999999999993,0.9925595238095236,0.6708333333333332,0.513392857142857,0.0,0.0,1.68860759493671,1.1354430379746843,0.8025316455696206,1.0453285111512964,0.9432911392405069,0.8235081374321886,0.0,0.0,32.85457981859535,16.427289909297677,24.539179878650465,32.854579818595354,4.106822477324419,16.427290200017914,7.105427357601002E-15,0.07755761457499238,0.009694701821874048,-2.045387363957745,52.854475777570336,6.606809472196292,3.174033917638171,32.85457981859535,16.427289909297677,24.539179878650465,32.854579818595354,4.106822477324419,16.427290200017914,7.105427357601002E-15,0.07755761457499238,0.009694701821874048,-2.045387363957745,52.854475777570336,6.606809472196292,3.174033917638171,32.85457981859535,16.427289909297677,24.539179878650465,32.854579818595354,4.106822477324419,16.427290200017914,7.105427357601002E-15,0.07755761457499238,0.009694701821874048,-2.045387363957745,52.854475777570336,6.606809472196292,3.174033917638171,32.85457981859535,16.427289909297677,24.539179878650465,32.854579818595354,4.106822477324419,16.427290200017914,7.105427357601002E-15,0.07755761457499238,0.009694701821874048,-2.045387363957745,52.854475777570336,6.606809472196292,3.174033917638171,32.85457981859535,16.427289909297677,24.539179878650465,32.854579818595354,4.106822477324419,16.427290200017914,7.105427357601002E-15,0.07755761457499238,0.009694701821874048,-2.045387363957745,52.854475777570336,6.606809472196292,3.174033917638171,32.85457981859535,16.427289909297677,24.539179878650465,32.854579818595354,4.106822477324419,16.427290200017914,7.105427357601002E-15,0.07755761457499238,0.009694701821874048,-2.045387363957745,52.854475777570336,6.606809472196292,3.174033917638171,36.08995720817411,17.890175509898107,26.87195344646286,36.0430822081741,4.505385276021762,17.890175578392586,-0.09375000000001066,0.061027138437955174,0.007628392304744397,-2.237149297054899,50.07914531275663,6.259893164094579,3.1308837281661153,0,11.899999999999999,12.100126148280118,-0.15127381601689732,0.04886836307466488,5.48368355928081,8.440005410671686,8.0,24.0,24.0,24.0,8.0,0.0,0.0,0.0,0.0,0.0,17.491311999999997,3.6386389444009057,3.1009788953134625,2.7501294719454923,2.5520993318240603,1.7166723283320406,1.4567974870365559,1.24328983619274,0.8803309621235775,2.0022539479424575,1.6485902969675743,1.372874416517864,1.2569118072020289,0.8166019409538163,0.6662064014268075,0.5600386420219028,0.34407523998685036,3.6631364323532467,3.138355093350242,2.7929956936812452,2.6026033146442837,1.804832855471158,1.5561429069408679,1.355715339873707,1.0130321804474776,1.9488174122525914,1.5704383701142797,1.2852290050479294,1.1611736524357574,0.6823741061108444,0.522081791788306,0.40771402674177587,0.18167423712724104,3.770748097703091,3.302851471117747,2.9815376553220214,2.821160048363494,2.169489749908837,1.9628467004754997,1.806651078659222,1.5269920083094362,1.7922283657305433,1.3355710473284947,1.0189282736728762,0.8637960179759168,0.2372884421891102,0.037619228519400534,0.11187667875178033,0.3826253012261863,3.681174793240129,3.1659239446078633,2.824624263979154,2.6396799255714494,1.8686804491354356,1.6278737503491436,1.436300008737085,1.1068836054638005,1.9148531666138222,1.5201790558846913,1.2285965048401615,1.0987918953722904,0.5927269872907462,0.42534701847017176,0.3049635319222994,0.07146461661801429,3.8231589675395874,3.382526050372484,3.0724805342736468,2.9244627864734434,2.331931224847757,2.1415484939179605,2.000733801030035,1.7413257129019013,1.7434881706588357,1.2612320239099073,0.933903670955874,0.7665060130864799,0.08098944546120139,0.13516428868843997,0.30076326992399605,0.5931827777997573,3.6898218602456625,3.2776237286823013,2.8723673192341406,2.7413309399982433,2.0218815444844576,1.7648171397774186,1.589106111185512,1.2739806938934763,1.8858541153609218,1.399854449461121,1.1431955181557953,0.960854843827723,0.4062207989255394,0.2507456976125219,0.11803023019210006,0.12301550522370244,0,0,0,0,0,1,6,1,0,0.0,0.0,0.0,0.10206207261596577,0.07216878364870323,0.0,0.0,0.0,0.10206207261596577,0.07216878364870323,0.20412414523193154,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.49279927982674443,0.5948613524427102,0.49279927982674443,0.49279927982674443,0.5948613524427102,0.49279927982674443,5.819990956308912,3.931851652578137,2.9122841352177495,2.302095140581215,1.5953879568423455,1.1051717155225391,0.348461712529338,0.14433756729740646,0.727498869538614,0.4914814565722671,0.3235871261353055,0.2302095140581215,0.15953879568423454,0.1105171715522539,0.0871154281323345,0.07216878364870323,5.819990956308912,3.931851652578137,2.9122841352177495,2.302095140581215,1.5953879568423455,1.1051717155225391,0.348461712529338,0.14433756729740646,0.727498869538614,0.4914814565722671,0.3235871261353055,0.2302095140581215,0.15953879568423454,0.1105171715522539,0.0871154281323345,0.07216878364870323,12.334622430286998,23.102694828841948,21.80392156862746,22.080000000000002,14.388435928143707,184.2260407185629,0.5139426012619582,0.9626122845350812,0.9084967320261441,0.92,0.5995181636726544,7.676085029940121,2.976700000000002,36.86599999999999,31.311335179564956,44.10503795080262,62.62267035912991,7.827833794891239,31.311335179565006,0.10680307413318396,0.013350384266647995,-1.7894148550813747,44.797410666305446,5.599676333288181,3.0417202720987855,60,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,6.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.315462962962963,0.0,8.931064814814814,0.0,0.0,0.0,1.0868055555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.315462962962963,0.0,1.4166666666666667,0.0,0.0,0.0,1.0868055555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.315462962962963,0.0,1.5104166666666667,0.0,0.0,0.0,1.0868055555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.333333333333332,1.5416666666666665,0.2,2.315462962962963,0.2,1.0868055555555554,5.766945601851852,0.24652777777777782,0.315462962962963,0.6725925925925926,0.24652777777777782,0.315462962962963,0.6725925925925926,4.0,0.5,0.0,0.0,0.43333,0.7,0.43333,0.43333,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.125,0.125,0.0,4.0,0.5,4.0,0.5,0.0,0.0,-4.0,-0.5,0.0,0.0,8.02289,1.00286,8.02289,0.0,0.0,3.93185,0.49148,3.93185,0.0,0.0,-0.01785,-0.00223,0.06815,0.00852,0.25,8.0,0,0,0,0,0,0,1.0,0.9182958340544896,1.2720552088742005,2.177694271103767,2.8035088547976783,3.0220552088742005,2.6216535224393334,22.03910001730775,30.529325012980813,52.2646625064904,67.28421251514428,72.52932501298082,62.919684538544004,0.20028426271971758,0.2774407006980149,0.4749644671600352,0.6114573138508159,0.659123211672695,0.5717938853430056,3.6666666666666674,3.3129072918469564,2.40726822961739,1.7814536459234787,1.5629072918469564,1.9633089782818236,0.20028426271971758,0.2774407006980149,0.4749644671600352,0.6114573138508159,0.659123211672695,0.5717938853430056,6.732876570223358,10.97798906805989,14.414231905009963,16.87697266918068,15.835470595432279,13.208423498919595,31.599000019230836,26.532081258052912,23.533333858163076,20.313283859124617,21.55213073226163,25.919278580111058,6.125,3.111111111111111,1.8,2,0,2,2.34,1.1272000000000009,0.0,2.0041451295984074,0.4999999999999999,0.0,7.732315986074721,3.965406456500188,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.089,0.084,0.23800000000000002,0.23299999999999998,3.8939999999999997,9.0,10.0,10.0,10.0,4.0,2.0,0.0,0.0,0.0,61.0,2.1972245773362196,2.302585092994046,2.3978952727983707,2.3978952727983707,2.3978952727983707,1.6094379124341003,1.0986122886681098,0.0,0.0,0.0,4.127134385045092,1.0,0.4,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.125,2.0,0.25,0,3.0,5.0,0.6666666666666666,1.0,0.44444444444444464,0.1875,0.15111111111111114,0.0625,0.0,0.0,0.0,0.0,0.0,0.125,0.04938271604938274,0.026785714285714284,0.05037037037037038,0.0625,0.0,0.0,0.0,0.0,0.0,0.3140388007054674,16.427289909297677,24.539179878650465,32.854579818595354,4.106822477324419,16.427290200017914,0.07755761457499238,0.009694701821874048,-2.045387363957745,52.854475777570336,6.606809472196292,3.174033917638171,0.0,134.5678770069335,4.0,3.5553480614894135,4.290459441148391,5.043425116919247,5.796057750765372,6.555356891810665,7.311218384419629,8.071843149609158,8.82834762005316,9.589256144850811,75.04131256106584,2.833213344056216,0.0,3.970291913552122,0.0,5.342334251964811,0.0,6.803505257608338,0.0,8.298290634359283,8.556606193773073,112.12520051199999,4.671883354666666,15.692665461309003,1.9615831826636254,0.0,0.0,0.0,64.0,7.0,4.491,34.0,1.2241661269968425,2.095375619654719,2.804834728042491,3.523444902539256,4.011401076219171,4.603236608410832,5.359741897126721,0.0,0.0,0.0,78.54273178317382,80.84874125842431,62.70646423616944,47.756283270103125,32.73388417108634,17.49019423131757,5.445840790962166,0.0,0.0,0.0,289.3400735811014,350.3255304065799,329.66638090996867,316.3518511020593,273.0975438577748,239.72660823770067,166.60084734603632,0.0,0.0,0.0,8.917064339277722,14.967446700708317,19.682136865771575,24.466122301827784,27.55517836081238,31.3878220751973,36.00923298513758,0.0,0.0,0.0,2.170962989601493,2.8561908461818017,2.9449533497240443,3.0746893911402227,2.8921084377526087,2.819447784301712,2.3830104141224013,0.0,0.0,0.0,174.75287400394564,319.8998772810813,454.1517757876617,589.6546238785256,694.3347566340224,814.4881079141953,991.1108870726671,0.0,0.0,0.0,2.262698729516449,3.3076146643402677,3.947346104608601,4.726698277656339,5.046382925818339,5.425946435019203,5.359741897126721,0.0,0.0,0.0,0.44929844643572414,0.6005295674250036,0.6297528435457492,0.6669596706602673,0.6366270617746689,0.6303351407311073,0.5488375702657763,0.0,0.0,0.0,333.4456335590608,138.86185211064725,8.651530001084803,82.80429929252863,-34.483457587241915,-4.4143592588828495,250.64133426653217,173.34530969788915,13.065889259967651,0.8010707203596071,0.333602100928524,0.020784459811959748,0.19892927964039298,-0.08284315471478218,-0.010605068999390696,138.79672257861475,57.80123661670426,3.6011987820150604,34.46728402033795,-14.353736905180078,-1.837476745092778,0.07173216655933179,0.15591413791702666,1.2615556485986643,1.235628923997171,416.2499328515894,0.0,1.0,0.0,558.7220360649212,23.637301793244532,8.236295759706948,713.7146133735233,26.71543773501612,8.936652339834113,939.61534357905,30.653145737086266,9.794524720150362,1.415868360711461,1.2412518181839702,355.1804338430402,291.60718159402995,145.32042177807423,1.2180098991441017,2.444119205664385,2.0066497057059003,3.7198942899386904,3.779648656455895,6.126310730911665,0.6208677810429583,5.243051682663714,6.014024930701156,8.51391536677891,13.18809304307615,17.558792529889324,12.438893783462264,9.700408073800514,7.298739802686001,6.162004989098078,0.6515601980131223,1.4793053491628005,8.616928302186198E-7,7.061088865026294E-34,1.116006652170079E-82,3.40202729924519E-153,2.000251984811987E-245,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38061277184436565,5.574192587209443,0.6531709217830365,4.643853418731558,0.9766972366482027,1.7028794834525287,1.183325618509389,0.7995357255769495,0.2666615214599896,0.00784485755896307,0.010418868529977402,6.068973059789771E-9,4.973182622832518E-36,7.860126101836084E-85,2.396075643631631E-155,1.4087938280204866E-247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2667978144378678,5.6035839109962495,2.124525578416532,5.393484148386892,3.4274546213546855,3.3856525781360474,1.9402569224445723,1.4513726315624067,1.0258596021423607,0.056185781109031344,0.10857264307222497,6.324337848583383E-8,5.182439727387153E-35,8.190857417021073E-84,2.496895559067325E-154,1.46807178737242E-246,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.907756237413595,5.965735494382379,7.985567706918151,12.313224163275493,16.213229647123956,11.60168985371587,8.831745493911859,6.66214511865807,5.643964642555479,0.5827702626826787,1.3180344333673857,7.677527982013313E-7,6.291303054125211E-34,9.94341835010389E-83,3.0311450750845216E-153,1.7821885068459348E-245,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9067113251287,5.6416905314489725,3.1741115498554726,6.203349213612615,5.387147198562325,4.691860078566658,2.751319973919782,2.0991971156753255,1.678907721499572,0.11403108839118364,0.2358342889490254,1.3737306907062164E-7,1.1256951599828854E-34,1.7791636826424265E-83,5.423590806027473E-154,3.188848095655044E-246,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.527214959175561,6.21707530478523,10.523648477534493,16.826777400816983,22.915972076305138,15.743006026525732,13.310954201072956,9.926809820950778,8.258486400682791,0.9396195831137192,2.1574278243104796,1.2566980096263445E-6,1.029793449740316E-33,1.627590818129559E-82,4.961537088072589E-153,2.9171795330206193E-245,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.301511198192461,5.5603002227733755,5.236860803864686,8.436831645598405,9.662088602928096,7.782191242076083,5.078698125500196,4.016452652080906,3.3616989075608084,0.28310962248538707,0.6224104317880009,3.625530096464025E-7,2.970918324510698E-34,4.695542963111509E-83,1.4313862121002408E-153,8.415961601546417E-246,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.889365727385856,1.4853153473816656,0.8343719743126389,0.5546815707503832,0.285141144347522,0.5070404896737404,0.5425851525286446,0.4340894708094566,5.20905304908016,7.941730544426715,16.731590427707605,0.3320223561255747,1.4837151130118413,2.241579503340304,0.9326256155114316,0.3661393978761658,0.6331529298205257,0.26342792660568354,0.3064040372466166,0.21318647947795505,0.083386356412271,3.540344516727901,3.2527560149723778,7.558534884384097,0.44972939473078855,0.6029768731368426,2.498542509484202,1.1521097807477683,0.552449091212402,0.5944521158862915,0.2741094435252124,0.3799684603556989,0.3258370733549965,0.19023909950802068,4.203101381444372,4.895394802861949,10.688773521203435,0.39167817382943726,0.8960446332187161,2.873297956391846,1.471630168476004,0.8228124025920001,0.5560066224540469,0.28477245725790507,0.5014542056840522,0.532597030385058,0.4221622773319202,5.16774052745985,7.803492705158759,16.450439489241052,0.33400993368107035,1.4562135134010306,2.6132208136874695,1.2499557450786785,0.635342835966918,0.5809068683236239,0.27785936558196134,0.4153528553747327,0.38376552038893597,0.2517159987010457,4.498519394733066,5.720851919915235,12.294661742065259,0.3713603024854359,1.0508343744647144,2.939678727929112,1.5281604136624938,0.8705523827282302,0.5506675024746628,0.2862585868235276,0.5247339487603208,0.574457009737715,0.47247859970466966,5.338391524319836,8.381788671266008,17.630963239870024,0.3260012537119942,1.5716695582027054,2.8828527653443485,1.4741547669816906,0.8255536901508991,0.5562602430708048,0.28444521997892336,0.5046341572231386,0.5344199179065786,0.42493961802383223,5.182561222476938,7.846714792865744,16.53769026766454,0.33439036460620714,1.4639936931535495 +UMLCN0236,L,ethenylcyclohexane,C=CC1CCCCC1,Olefins,Cyclic,C8H14,Creton (2011),Unknown,PubChem,,38,0,0.04859999999999909,0.0023619599999999113,30.5884,23.415101999999983,0,0,22,8,14,0,8,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1168.3378639999985,1323.6121999999993,1631.3648489999985,1408.538046999997,761.8872270000002,299.79549700000064,58.588992,4.064256,0.0,3823.3076360276646,4994.447843181898,7096.043224333545,7236.37954164277,4947.143469715136,2369.462059305502,769.7839097913767,124.33497772372105,0.0,154.382624,159.97097600000006,300.35149200000006,427.95487599999984,375.24241199999994,233.64067600000016,95.65516799999997,26.873856,0.0,28.53578066788598,37.90082034000001,57.833473799094044,64.26827042152709,47.76524327607409,24.819371316677973,8.900306288490004,1.7784516193959998,0.0,3603.2019770594866,3158.070516700601,6384.963905203796,9887.46546828763,9016.305713722975,5879.330725465379,2461.6667110940903,739.6706080969959,0.0,40.02777777777778,46.0,71.66666666666666,93.5,83.16666666666667,50.0,19.0,4.0,0.0,53.106266545454474,60.16419090909088,38.842020214285675,23.090787655737657,14.109022722222225,8.817514617647078,4.184928,1.016064,0.0,173.7867107285302,227.0203565082681,168.95341010317966,118.6291728138159,91.61376795768771,69.69006056780889,54.98456498509834,31.083744430930263,0.0,7.017392,7.271408000000003,7.151226000000001,7.01565370491803,6.948933555555555,6.871784588235299,6.832511999999999,6.718464,0.0,1.2970809394493628,1.7227645609090914,1.376987471407001,1.0535782036315917,0.8845415421495202,0.729981509314058,0.6357361634635718,0.44461290484899996,0.0,163.78190804815847,143.54865985002732,152.0229501238999,162.0895978407808,166.96862432820325,172.92149192545233,175.83333650672074,184.91765202424898,0.0,1.8194444444444444,2.090909090909091,1.706349206349206,1.5327868852459017,1.5401234567901236,1.4705882352941178,1.3571428571428572,1.0,0.0,0.04869828302088941,-0.0064526168181418,-0.01774825305648468,-1.7739830025092444E-4,-0.009693425290670023,8.362991415755121E-4,0.0032427067293393334,0.00564354608418787,0.0,616.3360458181818,5.471179065352771E-13,-219.11947083471014,-157.0856480413224,-137.07473746281028,93.05073419008225,48.0261853884295,64.03491385123955,0.0,1146.1031956905874,1.2789769243681803E-13,-407.4620127536343,-292.10747033023165,-254.896327613005,173.03181363510512,89.3067425213445,119.07565669512603,0.0,0.12073599999999982,1.7503359872605984E-15,-0.04292399999999816,-0.030771999999999976,-0.026852000000001104,0.018227999999998523,0.009407999999999223,0.012543999999999625,0.0,5.123614541049458,1.0824674490095276E-14,-1.8215447800159477,-1.3058563034817596,-1.1395051820191204,0.7735327148012892,0.39924269151034275,0.5323235886804607,0.0,27.831555504831226,-2.930988785010413E-14,-9.894660155126715,-7.0934321660040816,-6.189810234029031,4.201841983683961,2.168692636740108,2.8915901823201344,0.0,4.81439393939394,-0.17803030303030276,-1.1178833792470153,0.3100895316804411,-0.7742194674012848,-0.5868916437098248,-0.34148301193755765,0.28122130394857664,0.0,0.002213558319131337,-2.933007644609909E-4,-4.225774537258257E-4,-2.9081688565725317E-6,-1.7950787575314858E-4,2.4597033575750356E-5,2.3162190923852382E-4,0.0014108865210469676,0.0,28.015274809917354,2.4868995751603507E-14,-5.2171302579692895,-2.5751745580544654,-2.538421064126116,2.7367862997083017,3.43044181345925,16.008728462809888,0.0,52.09559980411761,5.81353147440082E-15,-9.70147649413415,-4.7886470545939614,-4.720302363203796,5.089170989267798,6.379053037238893,29.768914173781507,0.0,0.005487999999999992,7.956072669366357E-17,-0.001021999999999956,-5.044590163934422E-4,-4.972592592592797E-4,5.361176470587801E-4,6.719999999999445E-4,0.0031359999999999062,0.0,0.2328915700477026,4.920306586406944E-16,-0.043370113809903514,-0.02140748038494688,-0.021101947815168897,0.022750962200037916,0.028517335107881625,0.13308089717011518,0.0,1.2650707047650558,-1.3322676295501878E-15,-0.23558714655063606,-0.11628577321318166,-0.11462611544498207,0.12358358775541062,0.1549066169100077,0.7228975455800336,0.0,0.21883608815427003,-0.008092286501377399,-0.026616270934452745,0.005083434945581002,-0.014337397544468236,-0.017261518932641908,-0.024391643709825547,0.07030532598714416,0.0,-0.13250193678027442,-0.1909041429238951,-0.0013137981644476301,-0.08109471261800437,0.011111988043487795,0.1046378165131962,0.6373839391774595,0.0,8.876941568604542E-16,-0.18622448979591788,-0.09192037470726,-0.09060846560846585,0.0976890756302517,0.1224489795918361,0.5714285714285704,0.0,1.115935222218388E-16,-0.18622448979591844,-0.0919203747072602,-0.09060846560846596,0.09768907563025221,0.12244897959183676,0.5714285714285717,0.0,1.4497216963131138E-14,-0.18622448979591064,-0.09192037470726001,-0.09060846560846947,0.09768907563024432,0.1224489795918268,0.5714285714285552,0.0,2.112702742052505E-15,-0.18622448979591713,-0.09192037470725985,-0.09060846560846593,0.09768907563025099,0.12244897959183533,0.5714285714285688,0.0,-1.053117129763598E-15,-0.1862244897959189,-0.0919203747072602,-0.09060846560846574,0.0976890756302527,0.12244897959183743,0.5714285714285728,0.0,-0.036978756884342975,-0.12162651580432848,0.023229417910255273,-0.06551660498683831,-0.07887875842705286,-0.11146079202727517,0.32126934172567523,0.0,1.3502949646439768,1.1217232381520588,0.8277217145609294,1.0124549665032578,1.0221917883149692,0.9750213242027288,0.153180663626585,0.0,1.3125000000000009,1.325892857142858,1.0481557377049189,0.9548611111111118,0.6672794117647062,0.5892857142857144,0.0,0.0,1.3125000000000007,1.3258928571428572,1.048155737704918,0.9548611111111112,0.6672794117647064,0.5892857142857146,0.0,0.0,1.3125000000000002,1.3258928571428572,1.0481557377049182,0.9548611111111112,0.6672794117647061,0.5892857142857145,0.0,0.0,1.3124999999999998,1.3258928571428568,1.0481557377049178,0.9548611111111107,0.6672794117647056,0.589285714285714,0.0,0.0,1.312500000000001,1.3258928571428583,1.0481557377049189,0.9548611111111122,0.6672794117647062,0.5892857142857146,0.0,0.0,1.2997639653815893,0.7991083136637817,0.6683907082328358,1.160037299297724,1.379136390984403,1.3241542092840282,0.0,0.0,30.772718356460594,15.386359178230297,23.182054971499387,30.772718356460594,3.846589794557574,15.386360044415996,0.0,0.01133701271676506,0.0014171265895956324,-3.583745955394163,79.3071670489643,9.913395881120538,3.498662802787635,30.772718356460594,15.386359178230297,23.182054971499387,30.772718356460594,3.846589794557574,15.386360044415996,0.0,0.01133701271676506,0.0014171265895956324,-3.583745955394163,79.3071670489643,9.913395881120538,3.498662802787635,30.772718356460594,15.386359178230297,23.182054971499387,30.772718356460594,3.846589794557574,15.386360044415996,0.0,0.01133701271676506,0.0014171265895956324,-3.583745955394163,79.3071670489643,9.913395881120538,3.498662802787635,30.772718356460594,15.386359178230297,23.182054971499387,30.772718356460594,3.846589794557574,15.386360044415996,0.0,0.01133701271676506,0.0014171265895956324,-3.583745955394163,79.3071670489643,9.913395881120538,3.498662802787635,30.772718356460594,15.386359178230297,23.182054971499387,30.772718356460594,3.846589794557574,15.386360044415996,0.0,0.01133701271676506,0.0014171265895956324,-3.583745955394163,79.3071670489643,9.913395881120538,3.498662802787635,30.772718356460594,15.386359178230297,23.182054971499387,30.772718356460594,3.846589794557574,15.386360044415996,0.0,0.01133701271676506,0.0014171265895956324,-3.583745955394163,79.3071670489643,9.913395881120538,3.498662802787635,40.16877105219402,19.789714230935008,30.023026713941523,40.04333702441623,5.005417128052029,19.789714241707433,-0.5017361111111072,0.08284582925292053,0.010355728656615066,-1.9926191018553063,66.2545918858301,8.281823985728762,3.354803819158904,0,11.899999999999999,12.100126148280118,-0.14969139239311924,0.05051094833603198,5.515183600299865,8.608754955964043,8.0,22.0,21.0,21.0,7.0,1.0,1.0,0.0,0.0,1.0,15.304897999999996,3.649504604882398,3.138911378528929,2.7501294719454954,2.525565446951938,1.4567974870365534,1.4371667345892851,1.1180986610554353,0.7709918131978534,1.9939552626399908,1.5826750201684316,1.3728744165178628,1.1927076189386778,0.6662064014268071,0.6084785288974529,0.4810299145791179,0.2778538708700237,3.672277352700984,3.1682051528232353,2.792995693681241,2.5703497845110377,1.5561429069408648,1.529415998825697,1.2376292699901834,0.9080501791648952,1.9425283083102003,1.5169541618322566,1.2852290050479291,1.0978240670182324,0.5220817917883059,0.4650309825322884,0.3265757644088606,0.1115310425565674,3.773084498684476,3.298439670747589,2.9815376553220214,2.7702893714143983,1.962846700475497,1.9162709073017703,1.7101740746410095,1.4385813015380267,1.7933550482440301,1.3246667162146561,1.0189282736728749,0.8103703628396862,0.03761922851940009,0.011283346359558393,0.2054913784280215,0.4682881389992579,3.6890875194289996,3.1898708638000364,2.824624263979153,2.6035776383489484,1.6278737503491438,1.5966301041066204,1.3228616832378923,1.0049982347422672,1.909972429308908,1.475165793468175,1.22859650484016,1.0365284250547588,0.4253470184701714,0.3691282986143445,0.22204617551020975,0.001478551345526941,3.822628198372782,3.3625254972151075,3.072480534273648,2.8679448105539134,2.1415484939179597,2.0899583364077268,1.910626017987139,1.659319804491653,1.747430173521498,1.2652487548112135,0.9339036709558726,0.7193995401476777,0.13516428868843938,0.17813665775160092,0.40146413469827236,0.6853439487747215,3.727918208832586,3.3802194236814525,2.777073409524108,2.6548183410517767,1.715014625412135,1.6810837948172732,1.4510963259797514,1.136168261992707,1.9570652540493272,1.354081590932373,1.2353006622871552,0.85992037304451,0.33129027699398966,0.2514226196001607,0.06975087367878582,0.16194528339089623,0,0,1,1,0,0,5,1,0,0.0,0.0,0.0,0.10206207261596577,0.07216878364870323,0.0,0.0,0.0,0.10206207261596577,0.05892556509887897,0.20412414523193154,0.0,0.0,0.0,0.16666666666666666,0.0,0.0,0.0,0.49279927982674443,0.5948613524427102,0.49279927982674443,0.3535533905932738,0.41666666666666663,0.3535533905932738,5.819990956308912,3.931851652578137,2.9122841352177495,2.302095140581215,1.5953879568423455,1.1051717155225391,0.348461712529338,0.14433756729740646,0.727498869538614,0.4914814565722671,0.3235871261353055,0.2302095140581215,0.15953879568423454,0.1105171715522539,0.0871154281323345,0.07216878364870323,5.397341225498536,3.5580782047249224,2.6337923567508077,1.983163247594393,1.3698690525747006,0.9457057690291281,0.23570226039551587,0.08333333333333333,0.674667653187317,0.4447597755906153,0.2926435951945342,0.1983163247594393,0.13698690525747007,0.0945705769029128,0.05892556509887897,0.041666666666666664,11.792794626501124,21.214857975236704,20.078431372549026,20.320000000000004,13.589881437125744,167.94048023952098,0.5360361193864147,0.9643117261471229,0.9126559714795012,0.9236363636363638,0.6177218835057157,7.633658192705499,2.678890000000001,36.501999999999995,31.311335179564956,44.10503795080262,62.62267035912991,7.827833794891239,31.311335179565006,0.10680307413318396,0.013350384266647995,-1.7894148550813747,44.797410666305446,5.599676333288181,3.0417202720987855,60,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,6.0,1.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,5.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.894629629629629,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3640277777777778,0.2906944444444445,0.0,0.0,1.4452777777777779,0.2902777777777778,0.0,0.6547222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7843518518518517,7.088009259259259,0.0,2.1102777777777777,0.0,0.8506944444444442,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1102777777777777,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3640277777777778,0.2906944444444445,0.0,0.0,0.21694444444444444,0.2902777777777778,0.0,0.2906944444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7843518518518517,1.3923611111111112,0.0,2.1102777777777777,0.0,0.8506944444444442,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7843518518518517,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3640277777777778,0.2906944444444445,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.3640277777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7843518518518517,1.44875,0.0,2.1102777777777777,0.0,0.8506944444444442,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.833333333333332,1.7291666666666665,0.3640277777777778,3.7843518518518517,0.21694444444444444,0.8506944444444442,5.572267268518518,0.482638888888889,0.7843518518518517,1.789259259259259,0.482638888888889,0.7843518518518517,1.789259259259259,4.0,0.5,0.0,0.0,0.44545,0.7,0.43333,0.43333,0.7,0.01212,0.01212,-0.0,0.0,0.71429,0.0,0.0,0.125,0.125,0.0,5.0,0.625,4.0,0.5,1.0,0.125,-3.0,-0.375,0.0,0.0,6.67375,0.83422,8.02289,1.34915,0.16864,3.39384,0.42423,3.93185,0.53801,0.06725,-0.01785,-0.00223,0.06815,0.00852,0.2727272727272727,8.0,0,0,0,0,0,0,0.75,0.9456603046006402,1.9858736285640906,2.5515148708628836,3.0271691184406184,3.2776134368191157,3.0957952550009336,20.804526701214083,43.68921982840999,56.13332715898344,66.59772060569361,72.10749561002055,68.10749561002054,0.2120584831144048,0.4453198968820446,0.5721614521903061,0.6788239796724709,0.734984571379229,0.6942129669760335,3.5137713140366573,2.473557990073207,1.9079167477744137,1.432262500196679,1.1818181818181817,1.3636363636363638,0.20905213939524112,0.43900661643531197,0.564049944634101,0.6692003221901854,0.7245647276766968,0.6843711405026052,6.78663383797895,14.025759583644513,17.021476718476027,17.878028225986416,18.130432279170442,15.94861409735226,31.283126094833726,24.898432716327584,20.682927383502516,19.644574537297025,18.99492654310452,22.179140983767713,6.125,3.111111111111111,1.8,2,2,2,2.34,1.0842000000000014,0.0,2.0041451295984074,0.4999999999999999,0.0,7.732315986074721,3.965406456500188,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.11199999999999999,0.12,0.278,0.36,3.7869999999999995,9.0,10.0,10.0,10.0,4.0,2.0,0.0,0.0,0.0,61.0,2.302585092994046,2.3978952727983707,2.5649493574615367,2.5649493574615367,2.5649493574615367,1.9459101490553132,1.6094379124341003,0.0,0.0,0.0,4.30406509320417,1.1967213114754098,0.4,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.125,1.0,0.125,0,3.0,5.0,0.6666666666666666,1.0,0.44444444444444464,0.1875,0.15111111111111114,0.0625,0.0,0.0,0.0,0.0,0.0,0.125,0.04938271604938274,0.026785714285714284,0.05037037037037038,0.0625,0.0,0.0,0.0,0.0,0.0,0.3140388007054674,16.427289909297677,24.539179878650465,32.854579818595354,4.106822477324419,16.427290200017914,0.07755761457499238,0.009694701821874048,-2.045387363957745,52.854475777570336,6.606809472196292,3.174033917638171,0.0,131.93141830613348,4.0,3.5553480614894135,4.290459441148391,5.043425116919247,5.796057750765372,6.555356891810665,7.311218384419629,8.071843149609158,8.82834762005316,9.589256144850811,75.04131256106584,2.833213344056216,0.0,3.970291913552122,0.0,5.342334251964811,0.0,6.803505257608338,0.0,8.298290634359283,8.556606193773073,110.109550448,5.004979565818181,15.692665461309003,1.9615831826636254,0.0,0.0,0.0,64.0,7.0,4.1209999999999996,34.0,1.2229994112692826,2.1088674040407533,2.8232433952100306,3.58712191975702,4.146350337386507,4.897605342936039,5.709273286901713,0.0,0.0,0.0,83.04796982218963,90.18311565537495,69.36406127605859,53.495371534058876,39.67305465418948,21.380651095632146,5.800987052982502,0.0,0.0,0.0,299.7655434793392,377.90410256160663,351.33456250886235,335.1446976342894,302.52447040973084,275.96413796667554,177.46559173639002,0.0,0.0,0.0,8.923221416666605,15.121813588169681,19.862232735903056,24.934486252174207,28.54242158645806,33.49478150788066,38.35754704421084,0.0,0.0,0.0,2.226955805509811,3.0295926305512424,3.0883986365094116,3.2074693506243164,3.1237970437314853,3.1669330874474775,2.5384165806661683,0.0,0.0,0.0,173.67388043986526,317.78025972063256,453.37180201234304,598.4773323330618,713.1486216460772,858.6265823343176,1055.745410978631,0.0,0.0,0.0,2.613398614017944,3.683138227319632,4.425515410299883,5.539380467773053,6.243879933147645,6.7819232950979425,5.709273286901713,0.0,0.0,0.0,0.4600469415662445,0.6349589594858451,0.6585293880776283,0.6941339125816701,0.6849240494348648,0.7050344438567571,0.5846295845787354,0.0,0.0,0.0,321.63245978339984,149.6083731999769,10.9624773497633,104.78690666263022,-48.741966681507975,-6.9572190822934585,216.84555312076964,198.3503398814849,17.91969643205676,0.7542632560618172,0.35084797964707864,0.025708207019604894,0.2457367439381828,-0.11430523685578672,-0.016315438813856036,137.1503097293156,63.79590771495537,4.674612646165021,44.68316635091806,-20.784518551662135,-2.966692953297807,0.12234052072813517,0.22007259480154678,2.8011477064740458,5.052320020661747,426.41936644603004,0.0,1.0,0.0,579.3719987981525,24.070147461080342,8.336539915767919,715.6274408239959,26.75121381963809,8.944628929181802,956.7378719488471,30.931179608104944,9.85366186762755,1.4021686609969217,1.2669113926516542,359.9385233200668,289.7661149335125,133.27477320531906,1.2421691314826633,2.7007250859512357,2.174200773068341,3.704344627882348,3.779648656455895,6.509250006036959,0.722183884716036,4.150214403390876,5.254991662385183,9.067767083518518,11.976354500922623,14.742656077544492,9.897885689450934,10.84998799898915,4.819818876382913,7.835644577198855,1.0945198777737437,0.41035797215188236,0.9988340069556126,3.472519341241211E-11,2.3457471024830426E-43,3.0562833013893135E-97,7.680366301923904E-173,3.7225982013200102E-270,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3488773672157685,4.746992094426591,0.6252382364776452,3.966773007500734,0.8121890539233181,1.3900878068254088,1.6604300941646866,0.3600509288776022,0.3118885752153447,0.08174465629040178,0.0028971218343177263,0.007034869580935843,2.44572376518962E-13,1.652128864346895E-45,2.1525653189560777E-99,5.40934478517913E-175,2.6218563511200512E-272,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1248112944343953,4.7809383225344915,2.051830679960408,4.694044424023718,2.8778927221108597,2.706784739383531,2.5884088254247644,0.93700300459131,1.2346048630712705,0.27054401780218146,0.03013577615748036,0.07330876494630813,2.5486327296210426E-12,1.721645656454453E-44,2.24313902601068E-98,5.6369543288318E-174,2.732176464054307E-271,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.9174992726917837,5.199218003636062,8.445956167708825,11.16491541580072,13.614682414082692,9.228488492774126,9.952107500158732,4.428855697208783,7.158171421713004,1.0261755872064804,0.36562634188337034,0.8899431176469932,3.093952215396505E-11,2.090018436554824E-43,2.7230933976116824E-97,6.84306810121335E-173,3.316767977421339E-270,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6574656111457358,4.824950765206147,3.1192403219315814,5.462794987498436,4.526878938126872,3.7353406259675763,3.506860339401094,1.4320504276400186,2.0500457393792253,0.405472545724895,0.06544186219116538,0.15923643346642088,5.535970853933775E-12,3.739644423522215E-44,4.872397707598675E-98,1.2244218049420053E-173,5.93465237145309E-271,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.011853787565498,5.489512219072356,11.489233295867944,15.345331143340353,19.23145887794721,12.545036285125306,14.555145981255503,6.4012908643330135,10.590267109476885,1.354769929795479,0.598445909454226,1.4567055271537541,5.064343106370804E-11,3.4210516919692775E-43,4.457301960764521E-97,1.1201092438450763E-172,5.429059620991123E-270,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4886926560980207,3.8885734565713723,4.554699854910267,6.66169510468464,6.942355409135173,4.927295579394932,5.700891866625628,2.603423791366887,3.767113364755625,0.9989343109578679,0.13725776104354975,0.33405625664475713,1.1613709627260488E-11,7.845262482393571E-44,1.0221623931486398E-97,2.568669467213337E-173,1.2450088918335471E-270,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.9154208338995953,1.5559962509917198,0.7196354069355371,0.5616242252394544,0.2997458132896145,0.43834835115227394,0.558379696967947,0.41819725527852447,5.191052491826852,7.754173941075198,16.20976889787875,0.34243633785918165,1.4149253033987454,2.349634333063309,0.9248310236765307,0.2870238721256518,0.6597336625419986,0.2596753673100774,0.2872443996116328,0.19532984730808217,0.06783505078842322,3.5614892288654914,3.1128644513452346,7.2980607809133735,0.48960049381299786,0.5504092977081382,2.564742914132716,1.1646001522339182,0.4526800985461925,0.6132780266859611,0.2784776904166656,0.34095982524800894,0.31093662029016395,0.16805753822464983,4.1820231649128266,4.675099375035232,10.209232720972082,0.4199170400289416,0.8199539837628227,2.9004052478472433,1.5392312174102194,0.7082718915776303,0.5634143125326335,0.2990012857098588,0.4339280665491338,0.5462799500848894,0.40541794761498356,5.147908356835093,7.608864017791829,15.918777370680331,0.34512146879895034,1.3856259642490067,2.664582780612314,1.2759904332471024,0.5290394377755139,0.5961551902350289,0.2854812111694646,0.3674452386618837,0.37391967631467815,0.22871807707726244,4.469612651634931,5.484700774229711,11.753038063888066,0.39423278535254347,0.9700829920538243,2.96278722673619,1.6088825555548492,0.7554459826042057,0.5561709858570065,0.3020175694617155,0.4524391113404006,0.5974318215345197,0.45966953163673696,5.327115764895245,8.220426255741394,17.148584317228266,0.33425647878550985,1.5095404645116572,2.9274854552810154,1.5369747068417192,0.708953909214523,0.5658710891711594,0.29709098975030085,0.4415545996446572,0.5446723614581905,0.40507259622112335,5.173414071337257,7.664567583883351,16.027899280547885,0.3488066337567389,1.391299557323971 +UMLCN0237,L,1-decene,CCCCCCCCC=C,Olefins,,C10H20,Marquardt (2015),IQT,PubChem,,49.1,0,-0.7136000000000005,0.5092249600000006,37.9673,30.93585999999997,0,0,30,10,20,0,10,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1462.9624899999978,1540.5188489999994,1589.037751999998,1431.821838999996,1237.0972379999964,1040.3405089999983,843.5837800000002,646.8270510000002,450.07032200000015,4856.843906111898,6106.384443154339,7745.837975703015,7693.03734675352,6748.406490660256,5741.608145705135,4734.809800750015,3728.0114557948973,2721.2131108397707,209.7744400000001,210.217284,383.344352,508.9756119999996,459.5276399999997,396.6427399999999,333.75784000000004,270.8729400000002,207.98804000000013,36.781258096980004,47.37098620000001,66.17599280333903,70.272556684866,62.1402536351681,53.11872477577209,44.09719591637607,35.07566705698001,26.05413819758398,4966.296601384981,4203.600159068001,8407.738190938242,12074.682188267268,10965.56233727717,9486.607182238575,8007.652027199978,6528.696872161381,5049.741717122784,52.75,60.5,89.75,106.5,96.25,84.0,71.75,59.5,47.5,48.76541633333326,53.12133962068963,29.426625037037,19.613997794520493,18.74389754545449,18.251587877192954,17.574662083333337,16.585309000000006,15.002344066666671,161.8947968703966,210.5649807984255,143.44144399450028,105.3840732431989,102.24858319182206,100.72996746851113,98.64187084895865,95.59003732807429,90.70710369465903,6.992481333333337,7.248871862068966,7.098969481481482,6.972268657534241,6.962539999999995,6.958644561403506,6.953288333333334,6.945460000000005,6.932934666666671,1.226041936566,1.633482282758621,1.225481348209982,0.9626377628063836,0.941518994472244,0.9319074522065278,0.9186915815911681,0.8993760783841028,0.8684712732527994,165.54322004616603,144.9517296230345,155.69885538774523,165.4066053187297,166.14488389813894,166.43170495155394,166.82608389999953,167.40248390157387,168.32472390409282,1.7583333333333333,2.086206896551724,1.662037037037037,1.4589041095890412,1.4583333333333333,1.4736842105263157,1.4947916666666667,1.5256410256410255,1.5833333333333333,0.0619486185695903,-0.007612276356451649,-0.02916248085135678,0.0016766687478012073,0.0012131625970341138,7.339643436518649E-5,-6.766225174255304E-5,9.612460069034637E-5,0.0017679196139707397,807.1067266666666,-53.807115111111635,-363.1980270000001,-26.903557555555075,4.014566457044566E-13,3.446132268436486E-13,2.877698079828406E-13,2.3092638912203256E-13,1.7408297026122455E-13,1500.8494229281496,-100.05662819520954,-675.3822403176673,-50.02831409760486,-9.237055564881302E-14,-9.237055564881302E-14,-2.0605739337042905E-13,-2.0605739337042905E-13,-1.4921397450962104E-13,0.1581066666666664,-0.010540444444441016,-0.07114799999999709,-0.005270222222222628,-6.826136877968736E-16,-7.103692634125025E-16,-7.381248390281314E-16,-7.381248390281314E-16,-7.24247051220317E-16,6.709495232326666,-0.44729968215509347,-3.0192728545469842,-0.2236498410775578,-3.552713678800501E-15,-3.552713678800501E-15,-3.552713678800501E-15,-3.552713678800501E-15,-3.774758283725532E-15,36.44608458965994,-2.4297389726442793,-16.400738065347227,-1.2148694863219678,5.839773109528323E-14,6.905587213168474E-14,6.905587213168474E-14,6.727951529228449E-14,6.550315845288424E-14,5.875,-0.4375,-1.5,-0.0625,0.0,-0.0625,-0.125,-0.1875,0.0,0.0020649539523196767,-2.6249228815350515E-4,-5.400459416917922E-4,2.2968065038372702E-5,1.8381251470213846E-5,1.2876567432488859E-6,-1.4096302446365216E-6,2.4647333510345224E-6,5.893065379902466E-5,26.903557555555555,-1.8554177624521253,-6.72588938888889,-0.36854188432267226,6.0826764500675244E-15,6.045846084976291E-15,5.995204332975845E-15,5.921189464667502E-15,5.8027656753741514E-15,50.028314097604984,-3.4502285584555015,-12.507078524401246,-0.6853193712000666,-1.399553873466864E-15,-1.6205360640142635E-15,-4.292862361883938E-15,-5.2835229069340785E-15,-4.973799150320701E-15,0.0052702222222222135,-3.6346360153244886E-4,-0.0013175555555555015,-7.21948249619538E-5,-1.0342631633285963E-17,-1.2462618656359693E-17,-1.5377600813086072E-17,-1.8926277923798242E-17,-2.4141568374010564E-17,0.22364984107755553,-0.015424126970865292,-0.0559124602693886,-0.0030636964531172302,-5.3828995133340925E-17,-6.232831015439475E-17,-7.401486830834377E-17,-9.109522253334617E-17,-1.258252761241844E-16,1.214869486321998,-0.08378410250497514,-0.3037173715805042,-0.016642047757835177,8.848141075042914E-16,1.211506528626048E-15,1.438664002743432E-15,1.7251157767252432E-15,2.1834386150961413E-15,0.19583333333333333,-0.015086206896551725,-0.027777777777777776,-8.561643835616438E-4,0.0,-0.0010964912280701754,-0.0026041666666666665,-0.004807692307692308,0.0,-0.12711774413111396,-0.26152929031910316,0.011122797683973246,0.008901530927391951,6.235764927360197E-4,-6.826448807989187E-4,0.0011936020889307248,0.02853848325906958,-0.06896551724137999,-0.25000000000000006,-0.013698630136986058,2.26091900207133E-16,2.247229227023855E-16,2.2284057863335783E-16,2.20089460378625E-16,2.1568767117105249E-16,-0.06896551724137902,-0.25,-0.013698630136986268,-2.797523559831222E-17,-3.239237806120362E-17,-8.580865534482305E-17,-1.0561065273208993E-16,-9.941968343400189E-17,-0.068965517241357,-0.24999999999999017,-0.013698630136987378,-1.9624659449227067E-15,-2.3647235601964375E-15,-2.9178277811978174E-15,-3.591172653781929E-15,-4.58074960714487E-15,-0.0689655172413766,-0.24999999999999872,-0.013698630136986441,-2.4068425389434786E-16,-2.7868703082503436E-16,-3.3094084910472827E-16,-4.073118142827425E-16,-5.62599443478038E-16,-0.06896551724138734,-0.2500000000000039,-0.013698630136985962,7.283202989837657E-16,9.972318362311236E-16,1.1842128055244594E-15,1.420000910507687E-15,1.7972618784808515E-15,-0.07703595011005136,-0.14184397163120566,-0.0043719032352083935,0.0,-0.005599104143337066,-0.013297872340425532,-0.024549918166939445,0.0,1.4676541289511371,1.2759404147920177,0.8128831183121127,0.8311072474317235,0.8666078235038658,0.9069197746316463,0.9625587135627793,1.0333624214102644,1.5000000000000009,1.4097222222222234,0.9534246575342473,0.9227272727272735,0.9157894736842112,0.9062500000000006,0.8923076923076928,0.8700000000000004,1.5000000000000009,1.4097222222222228,0.953424657534247,0.9227272727272732,0.915789473684211,0.9062500000000006,0.892307692307693,0.8700000000000009,1.5000000000000004,1.4097222222222223,0.9534246575342467,0.9227272727272727,0.9157894736842107,0.9062500000000001,0.8923076923076925,0.8700000000000003,1.5000000000000004,1.4097222222222223,0.9534246575342469,0.9227272727272731,0.9157894736842109,0.9062500000000003,0.8923076923076926,0.8700000000000003,1.5000000000000016,1.4097222222222228,0.953424657534247,0.9227272727272733,0.9157894736842114,0.9062500000000009,0.892307692307693,0.8700000000000004,1.446808510638298,0.9026792750197007,0.7184494316525795,0.7572533849129595,0.8335199701381112,0.9383865248226951,1.0916530278232406,1.2957446808510638,66.5359280847389,33.26796404236944,53.520363939678845,66.53592808473888,6.6535928084738885,33.26796404236946,-1.4210854715202004E-14,0.04089262840763602,0.004089262840763603,-3.196805466709703,49.21661399931719,4.921661399931719,3.8962312494091704,66.5359280847389,33.26796404236944,53.520363939678845,66.53592808473888,6.6535928084738885,33.26796404236946,-1.4210854715202004E-14,0.04089262840763602,0.004089262840763603,-3.196805466709703,49.21661399931719,4.921661399931719,3.8962312494091704,66.5359280847389,33.26796404236944,53.520363939678845,66.53592808473888,6.6535928084738885,33.26796404236946,-1.4210854715202004E-14,0.04089262840763602,0.004089262840763603,-3.196805466709703,49.21661399931719,4.921661399931719,3.8962312494091704,66.5359280847389,33.26796404236944,53.520363939678845,66.53592808473888,6.6535928084738885,33.26796404236946,-1.4210854715202004E-14,0.04089262840763602,0.004089262840763603,-3.196805466709703,49.21661399931719,4.921661399931719,3.8962312494091704,66.5359280847389,33.26796404236944,53.520363939678845,66.53592808473888,6.6535928084738885,33.26796404236946,-1.4210854715202004E-14,0.04089262840763602,0.004089262840763603,-3.196805466709703,49.21661399931719,4.921661399931719,3.8962312494091704,66.5359280847389,33.26796404236944,53.520363939678845,66.53592808473888,6.6535928084738885,33.26796404236946,-1.4210854715202004E-14,0.04089262840763602,0.004089262840763603,-3.196805466709703,49.21661399931719,4.921661399931719,3.8962312494091704,85.47367854920091,42.4720894393694,69.30234086969189,85.17367854920091,8.517367854920092,42.4720894393694,-0.4999999999999929,0.0755992712175842,0.0075599271217584195,-2.5823086358221596,48.90451950196514,4.890451950196514,3.889869815563122,0,11.789999999999992,12.21007878715558,-0.30694803897435313,0.11331114191413526,5.119156398895652,7.448485494107423,9.0,29.0,28.0,28.0,8.0,1.0,1.0,0.0,0.0,1.0,21.864139999999995,3.5210840798524194,3.3574428076201928,3.081433848785646,2.7153356328658202,2.3002972896872853,1.8888629520611806,1.5336835237093884,1.2708335235040162,1.926650081207138,1.7962351405201098,1.6011240153584165,1.3665412732316675,1.1188919700036748,0.8898768640358303,0.7078572002451116,0.5832972158938631,3.5484976489516105,3.3868641476767083,3.1169462609732856,2.7610830584261117,2.3600579476174017,1.965817151131432,1.6293332669715725,1.3834618185940897,1.8674807059703817,1.7319287973607893,1.526761479074251,1.276545205323504,1.0103890324382914,0.7635637788305842,0.5667937073655314,0.4318187967072533,3.668973442193347,3.516690464049975,3.2729423845317434,2.960671442922105,2.617551384689895,2.2906293679851943,2.0222757632787394,1.8336515350337292,1.693000218986744,1.5426713166636836,1.3039466706042007,0.9999285853927175,0.6674104941546392,0.35214206547671256,0.09479810931133943,0.0851896046439745,3.5686917308444874,3.4085675988351567,3.143118661698277,2.7947524747525394,2.403901049999401,2.02193146178046,1.698464613429822,1.4640758686453392,1.8297624369818295,1.6909537204054177,1.479012185509452,1.2181347829827265,0.9391801162709624,0.6797297141098152,0.4722701377863117,0.32962785381619825,3.7275684825140085,3.580093649824911,3.3484440806381004,3.055968484326131,2.738081353587529,2.4385584470229165,2.19574917314786,2.0269322280263777,1.6384642441450172,1.4837390787382343,1.233500967437389,0.9105036125409967,0.5534276855812896,0.21084822372168585,0.0726492242371927,0.27341430469708233,3.6665598497566174,3.4432792969328183,3.2036116271364268,2.8575416076771103,2.462553650379538,2.0822581946022587,1.7687822453400701,1.5469383468345375,1.86800217174781,1.6703653807468992,1.391952823320095,1.092316188017849,0.8164993944723056,0.5731468299787252,0.36815834009124143,0.2193602728458293,0,0,1,1,0,1,7,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.6568542494923815,4.914213562373096,3.121320343559643,1.9571067811865475,1.2071067811865475,0.7285533905932737,0.42677669529663687,0.23927669529663687,0.7656854249492382,0.5460237291525663,0.39016504294495535,0.27958668302664963,0.20118446353109123,0.14571067811865474,0.10669417382415922,0.07975889843221229,7.234204518682008,4.523603362114273,2.845117222155995,1.7618016810571369,1.0690052204847236,0.6309008405285684,0.35772591494572487,0.19045042026428421,0.7234204518682008,0.5026225957904749,0.3556396527694994,0.25168595443673386,0.17816753674745392,0.1261801681057137,0.08943147873643122,0.06348347342142807,15.418278037858748,28.878368536052434,27.254901960784323,27.59999999999999,17.98554491017964,230.28255089820362,0.5139426012619582,0.9626122845350812,0.9084967320261441,0.9199999999999997,0.5995181636726546,7.676085029940121,3.8491900000000037,47.92000000000002,34.34287175318626,54.77460084771694,68.68574350637252,6.868574350637252,34.342871753186266,1.1657341758564144E-15,1.1657341758564144E-16,-34.385425312513625,49.36979012827422,4.936979012827422,3.899338701264657,122,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,8.0,1.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,7.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.708362622826908,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3750580672083649,0.3150580672083648,0.0,0.0,1.8098838655832705,0.2902777777777778,0.0,0.6901161344167297,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2537110260770974,3.694651596749811,9.537926351095994,0.0,2.0137110260770976,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0137110260770976,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3750580672083649,0.3150580672083648,0.0,0.0,0.20558641975308642,0.2902777777777778,0.0,0.3150580672083648,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2537110260770974,3.694651596749811,1.2005208333333335,0.0,2.0137110260770976,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.694651596749811,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3750580672083649,0.3150580672083648,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.3750580672083649,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2537110260770974,3.694651596749811,1.4242488662131518,0.0,2.0137110260770976,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.5,1.75,0.3750580672083649,3.694651596749811,0.20558641975308642,1.2005208333333335,7.3096219595616025,0.29947916666666663,0.694651596749811,1.9241472978080123,0.29947916666666663,0.694651596749811,1.9241472978080123,5.0,0.5,0.0,0.0,0.43333,0.7,0.425,0.425,0.7,0.00833,0.00833,-0.0,0.0,0.71429,0.0,0.0,0.2,0.0,0.0,5.5,0.55,4.5,0.45,1.0,0.1,-3.5,-0.35,0.0,0.0,9.44177,0.94418,10.82617,1.3844,0.13844,4.34933,0.43493,4.91421,0.56488,0.05649,-2.1E-4,-2.0E-5,-2.1E-4,-2.0E-5,0.0,9.0,0,0,0,0,0,0,0.8,0.9182958340544896,1.9151729020169794,2.91440934524794,3.4565647621309536,3.5329145639793977,3.1055872616982603,27.548875021634686,57.45518706050938,87.4322803574382,103.69694286392861,105.98743691938193,93.1676178509478,0.18714414274415034,0.3903027517530117,0.5939421897558153,0.704430778469862,0.7199904899329165,0.6329033022414731,3.988594761554029,2.9917176935915393,1.9924812503605787,1.450325833477565,1.373976031629121,1.8013033339102584,0.18714414274415034,0.3903027517530117,0.5939421897558153,0.704430778469862,0.7199904899329165,0.6329033022414731,6.732876570223358,14.226420497785831,17.985101358756467,18.987715640160985,17.285853078397196,15.426149887924876,39.49875002403854,29.533793888459158,23.737552416618918,21.323723346168464,24.304336917732435,28.10135861418388,10.0,9.0,9.142857142857142,10,2,10,2.56,1.4746000000000012,0.1111111111111111,4.250401118884065,0.0,0.0,11.24058362962237,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.10799999999999998,0.1,0.16700000000000004,0.167,4.657,8.0,7.0,6.0,5.0,4.0,3.0,2.0,1.0,0.0,55.0,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.0,4.174387269895637,1.1636363636363636,0.4444444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.7777777777777778,8.0,0.8888888888888888,1,5.0,9.0,0.8,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.0,0.0,0.05555555555555555,0.02777777777777779,0.017857142857142856,0.013333333333333336,0.01111111111111111,0.010204081632653062,0.010416666666666666,0.012345679012345675,0.0,0.0,0.15860134794658604,34.34287175318626,54.77460084771694,68.68574350637252,6.868574350637252,34.342871753186266,1.1657341758564144E-15,1.1657341758564144E-16,-34.385425312513625,49.36979012827422,4.936979012827422,3.899338701264657,0.0,178.87984625866682,4.321928094887363,3.5553480614894135,4.174387269895637,4.812184355372417,5.4510384535657,6.09807428216624,6.744059186311348,7.394493107219038,8.043342170441608,8.695004592732307,73.9679314791937,2.9444389791664403,0.0,3.9318256327243257,0.0,5.056245805348308,0.0,6.244166900663736,0.0,7.466799475018602,7.822845290279774,140.15650064,4.671883354666666,18.82909733129015,1.882909733129015,0.0,0.0,0.0,165.0,7.0,5.664000000000001,34.0,1.2316896551724132,2.1407803937236847,2.8739613695384514,3.613678691152036,4.9500874352079,5.974307170840432,7.2939760717954165,8.405556204156069,9.706559382402506,10.884773047033248,76.4107667795517,70.39312720976949,68.78030987052753,87.87793069662955,107.78057863239583,125.0835909487795,138.25418734040434,143.1193032850016,129.12801632981007,64.63215985438629,285.0092121146762,328.029973268833,334.3826028763521,436.82783027660207,551.0699985325247,656.3077082806391,752.1083709346262,821.2426551847936,835.3848023312233,742.4046566784114,8.963500585793101,15.244121173543416,20.093591694337235,25.35251060544982,34.575471601755794,41.731694287860826,50.8066453192331,58.44955491407192,67.20101428985647,75.05704124046957,2.1511591119117233,2.750842958228147,2.946935816586572,3.843180558124214,4.941223589920259,5.926726971100254,6.91177980723307,7.689931322918971,8.161001212899238,8.070623427043785,176.34777020020826,329.96284577192523,471.61044783292994,585.995041706844,814.3757066235742,982.3908264376306,1210.1572912662741,1401.7162837280525,1640.4874293221194,1859.208042005891,2.637982758620689,3.649750560624073,4.320208748285583,5.64600908796394,7.580132313514525,9.354593776463469,11.503021986016142,13.821893693026448,16.70497150577529,18.59205706275291,0.44567922413793104,0.5811408770402654,0.6295435895251513,0.8201020343654116,1.0584347159116732,1.2707777430789475,1.4867373448836507,1.6591736096183491,1.773177836065916,1.779244588456759,482.43762865096534,295.1361865444013,14.951911316595224,191.3650441302836,-117.0695360568035,-13.028492172007464,291.07258452068174,412.2057226012048,27.98040348860269,0.7159924531905049,0.4380157551559873,0.02219034135747542,0.28400754680949536,-0.17374454092557498,-0.019335768019782235,325.067763635268,198.86355132808285,10.074637808310063,128.94227821188673,-78.88176629633497,-8.778632847808208,0.09256865912361151,0.16776253406189776,1.910605186194517,4.357897911326024,673.8026727812488,0.0,1.0,0.0,579.3840850485808,24.070398522845043,8.336597884746233,773.7617435651501,27.816573181561207,9.180558122573322,909.126710039504,30.15172814349957,9.687420225081715,3.22474597100423,3.22474597100423,1857.0369571407764,1826.8411833659447,56.87125387246601,1.0165289539396063,32.65334999128362,32.12240031603035,5.089974808127843,6.901696073057126,12.667514178660404,0.8354204596333801,5.822997744435369,7.708948676470047,4.0161729917126125,32.83728512437052,14.336251124741462,1.0274178426112355,7.209655740739274,8.676134838388295,21.32705808178467,0.677079020206818,2.0650588520299706,15.951055042516924,3.3594462185508047,15.760234291925105,1.3533521985231047,2.5366213501551935,4.108222280551944,4.654626843315714,5.033314880905981,3.088409028187712,2.558767404440922,0.38607091710110036,2.8773152271690283,0.12088050056479767,3.162587451576196E-5,1.595896579690255E-30,1.5532553183901106E-77,2.915794144895202E-146,1.0557152002009674E-236,0.0,0.4886945579819141,7.708592754070411,0.2727322035058074,7.973992336037736,0.10449814808273926,0.08485086377136168,0.9038187977921065,0.24012468126656916,6.043416797333059,0.02330386539954004,0.0640142251644243,1.060706200602819,0.1335239020996418,3.849851094377281,0.05719291775456372,0.0971162549561532,0.1614496465583303,0.12128829406006617,1.336322859324046,0.1278773091246925,0.14393634929216545,0.031414290651002104,0.08831084611534769,8.513712914486115E-4,2.227436201131615E-7,1.1240030099697481E-32,1.0939704209785672E-79,2.0536176573236798E-148,7.435488475869865E-239,0.0,1.5775395616455206,7.708617252841124,0.9227933415242476,9.764914677967926,1.0612606479001485,0.2675654669054725,2.1819572940295866,1.0967109497474692,8.086920628506348,0.09731413509044641,0.2495220837619313,3.5650886764315075,0.5288237408734586,5.821877668276799,0.22177910015609642,0.32295661869900755,0.6380252674405832,0.5690106383098898,1.948380803753908,0.49932840535095885,0.4141059772475404,0.1020326303578535,0.3860011696725429,0.008871944936728285,2.3211602578129484E-6,1.1712977974760633E-31,1.1400015242224704E-78,2.14002793368491E-147,7.74835227103122E-238,0.0,5.496435525717032,7.708909852368412,3.7466533715173145,30.15332894209894,12.775770031632556,0.9662888971575371,6.820426913908447,7.853544412796462,20.010675937638123,0.6160277617095729,1.8636847130700198,14.850193759937824,3.0688533130908695,14.868661862485244,1.2386299695984548,2.29101145259176,3.7501985320184437,4.208129893186269,4.756548678573738,2.8247904660767826,2.332132005177752,0.3637312841553189,2.6104895503349215,0.10770234975502721,2.817808481576913E-5,1.4219151207121782E-30,1.383922524587508E-77,2.597920088477924E-146,9.406232367656262E-237,0.0,2.3249975216037377,7.708648367976687,1.4029052044289474,11.969475401692641,2.296521397586684,0.39586851938446793,3.0620367133325717,1.9416807710719348,9.80927191946578,0.16576858720649662,0.4430652924717556,5.443137691144942,0.8783281825933327,7.311939236721155,0.3644507309538025,0.5587854162321423,1.0628797078141352,1.0181758400335634,2.4108734408559527,0.8234578660969054,0.6657077083785254,0.15103683368104098,0.6710013703170504,0.019271049826954652,5.041870248787295E-6,2.544215332692703E-31,2.4762356451704453E-78,4.648426636679557E-147,1.6830456518863915E-237,0.0,7.032110653112574,7.709111766365223,5.059895930709208,44.09395251924473,20.896571611934,1.257640404677845,8.654416906887489,12.06942037169937,26.63331735691898,0.9269996251724779,2.9002094511661896,20.241967539641575,4.541093837036563,19.245749702981705,1.8182795500610436,3.555306091668991,5.565992385612497,6.499655930290052,6.115325250687271,4.158002727007701,3.4873690914731057,0.46949735202024634,3.9743477140720027,0.1762928493967294,4.6123365731808525E-5,2.3274651766075443E-30,2.2652769044940897E-77,4.252411729409758E-146,1.5396614017180962E-236,0.0,3.400769349893104,6.2264461515958285,2.168974459293652,15.187847973308344,4.697756561945068,0.49591067526024923,4.747080892162277,3.213193475039904,12.014235078115341,0.2604493399926929,0.7605575139247811,7.835240242266678,1.3302714159038094,10.147677336689947,0.5431259723767262,0.9530873928881723,1.7794965922545654,1.7184866258439446,4.285383867521047,1.45920243923047,1.4606716821371584,0.24807636090431404,1.2353879223730382,0.039471184036882434,1.0326816168412067E-5,5.211090872457975E-31,5.071854100865667E-78,9.520960473127189E-147,3.447233306778669E-237,0.0,13.7317982549111,0.813329514673333,0.4411394050000001,0.9162921022921028,0.05427165452199317,0.5272782299374129,0.6246718248449965,0.5333242473212494,14.986267174584432,17.58490582018242,37.49802820960079,0.8744381534381541,1.685274302103659,13.00548890824373,0.3105244997542034,0.09510269913167453,0.9697544040596116,0.023154262275689536,0.4730915007406868,0.09116808074463456,0.02478707659483376,13.411116107129608,5.3049117540653965,19.100102293036578,0.9546316060894173,0.5890466580801551,13.293774299701694,0.5104034370989279,0.23253724675445542,0.9470716129291087,0.03636202898590579,0.49423581461699184,0.24636972705361967,0.14819197128260822,14.036714983555077,9.995173579209904,25.60969752099092,0.920607419393663,0.8887975129532197,13.71379880168367,0.8008995593776937,0.4325725111324088,0.9174784426497069,0.0535816582321792,0.5258986299304975,0.6057867185733764,0.5128111486794796,14.947270872193773,17.262034936036567,36.960412093358705,0.8762176639745605,1.6444964971833533,13.422352427267763,0.5994202434382023,0.29379748135545153,0.9376051589069939,0.041871908493416654,0.5038204695869561,0.33972956896665785,0.23655697595297,14.315570152061415,12.165191254258303,28.844547165569352,0.9064077383604908,1.080107014506584,13.788155562037122,0.8522385613416876,0.4679600624403264,0.9126179723122214,0.05640843144527336,0.531609943726621,0.6856319740974828,0.6001463974186858,15.108354185819136,18.60191760787324,39.20917589386273,0.8689269584683321,1.8173883152427897,13.825333890357747,0.8008120081228887,0.43297015675925893,0.9180707446335904,0.0531778894050187,0.5344869701484504,0.6056283725025084,0.513754393252876,15.059116055239896,17.40417807815577,37.25692036449394,0.8771061169503855,1.653869735903835 +UMLCN0238,L,1-hexene,CCCCC=C,Olefins,,C6H12,NREL (2014),IQT,PubChem,,25.8,0,0.43839999999999946,0.19219455999999951,26.320899999999995,18.561515999999997,0,0,18,6,12,0,6,0,0,0,0,0.0,0.0,0.0,0.0,0.0,877.7774940000002,866.6056609999998,814.2036039999997,644.7949230000002,450.07032200000015,253.31359300000003,67.647888,6.0963840000000005,0.0,2914.106343667144,3494.423905192873,4091.6495290536873,3665.8439669330364,2721.2131108397707,1714.4147658846414,791.2692928691047,186.50246658558157,0.0,125.86466399999996,123.114164,212.42632000000017,257.43601200000023,207.98804000000013,145.10314,82.61740799999998,40.310784,0.0,22.068754858187983,27.307031720000005,35.425232223943034,34.186441247282005,26.05413819758398,17.032609338188,8.680011883943003,2.6676774290939997,0.0,2979.7779608309884,2471.4423530048007,4710.929395074844,6158.861568112883,5049.741717122784,3570.7865620841885,2060.0363027342432,1109.505912145494,0.0,35.75,39.5,52.75,57.5,47.5,35.0,20.0,6.0,0.0,48.76541633333334,50.976803588235285,27.140120133333323,17.426889810810813,15.002344066666671,12.062552047619048,5.637324,1.016064,0.0,161.89479687039687,205.55434736428666,136.38831763512292,99.07686397116315,90.70710369465903,81.63879837545912,65.93910773909205,31.083744430930263,0.0,6.992481333333331,7.242009647058824,7.080877333333339,6.9577300540540605,6.932934666666671,6.909673333333333,6.884783999999999,6.718464,0.0,1.2260419365659991,1.606295983529412,1.1808410741314346,0.9239578715481623,0.8684712732527994,0.8110766351518095,0.7233343236619169,0.44461290484899996,0.0,165.54322004616603,145.37896194145887,157.03097983582813,166.45571805710495,168.32472390409282,170.03745533734232,171.66969189452027,184.917652024249,0.0,1.9861111111111112,2.323529411764706,1.7583333333333333,1.554054054054054,1.5833333333333333,1.6666666666666667,1.6666666666666667,1.0,0.0,0.045054579432914826,-0.007629605226452016,-0.020787934847661116,0.0017728820393015775,0.0029830042849378832,-0.0016728876227903751,-0.004523678562650519,0.007330930218857173,0.0,484.2640359999999,-53.80711511111069,-201.77668166666643,-26.903557555555775,-2.4513724383723456E-13,-1.8829382497642655E-13,-40.35533633333347,80.7106726666665,0.0,900.509653756891,-100.05662819520977,-375.2123557320376,-50.028314097605204,-1.4921397450962104E-13,-9.237055564881302E-14,-75.04247114640762,150.084942292815,0.0,0.0948639999999999,-0.010540444444443221,-0.03952666666666582,-0.005270222222222509,-4.518954654919582E-16,-4.588343593958655E-16,-0.007905333333333667,0.015810666666666192,0.0,4.025697139396,-0.4472996821551081,-1.677373808081665,-0.22364984107755648,-1.1102230246251565E-15,-1.1102230246251565E-15,-0.33547476161633427,0.6709495232326654,0.0,21.867650753795992,-2.4297389726439382,-9.111521147414951,-1.2148694863220153,-2.398081733190338E-14,-2.4868995751603507E-14,-1.8223042294830163,3.6446084589659735,0.0,5.069444444444441,-0.7183641975308643,-1.2129629629629635,-0.19830246913580296,0.06481481481481484,0.29398148148148157,-1.3240740740740746,0.5601851851851852,0.0,0.0025030321907174905,-4.488003074383539E-4,-6.929311615887038E-4,4.7915730791934526E-5,9.943347616459611E-5,-7.966131537097025E-5,-3.769732135542099E-4,0.0012218217031428622,0.0,26.90355755555555,-3.165124418300629,-6.7258893888888815,-0.7271231771771831,-8.171241461241152E-15,-8.966372617925073E-15,-3.362944694444456,13.451778777777749,0.0,50.028314097605055,-5.885684011482928,-12.507078524401255,-1.352116597232573,-4.973799150320701E-15,-4.3985978880387156E-15,-6.253539262200635,25.0141570488025,0.0,0.005270222222222217,-6.200261437907778E-4,-0.0013175555555555273,-1.424384384384462E-4,-1.5063182183065275E-17,-2.1849255209326927E-17,-6.587777777778055E-4,0.002635111111111032,0.0,0.22364984107755553,-0.026311746009124008,-0.05591246026938883,-0.006044590299393418,-3.700743415417188E-17,-5.2867763077388404E-17,-0.02795623013469452,0.11182492053877757,0.0,1.2148694863219995,-0.14292582192023165,-0.3037173715804984,-0.03283431044113555,-7.993605777301127E-16,-1.1842378929335002E-15,-0.15185868579025136,0.6074347431609955,0.0,0.2816358024691356,-0.04225671750181555,-0.04043209876543211,-0.00535952619285954,0.0021604938271604945,0.013999118165784837,-0.11033950617283955,0.09336419753086421,0.0,-0.17930265104169754,-0.27683669597156724,0.01914307413609393,0.03972520870220756,-0.031825925238354785,-0.15060661822577323,0.48813663191148526,0.0,-0.11764705882352851,-0.24999999999999978,-0.02702702702702725,-3.037234553225025E-16,-3.3327832571620363E-16,-0.12500000000000044,0.499999999999999,0.0,-0.11764705882352902,-0.24999999999999983,-0.02702702702702711,-9.941968343400174E-17,-8.792216902326685E-17,-0.12500000000000008,0.49999999999999944,0.0,-0.11764705882351588,-0.2499999999999949,-0.027027027027028524,-2.8581683177514675E-15,-4.145793913053266E-15,-0.12500000000000538,0.4999999999999855,0.0,-0.11764705882352863,-0.24999999999999975,-0.02702702702702714,-1.6547042455236414E-16,-2.363863207890916E-16,-0.12500000000000036,0.4999999999999991,0.0,-0.11764705882352645,-0.24999999999999878,-0.02702702702702738,-6.579806199184126E-16,-9.747861035828334E-16,-0.12500000000000117,0.4999999999999965,0.0,-0.1500402900886383,-0.1435616438356166,-0.019029988893002652,0.0076712328767123365,0.049706457925636056,-0.39178082191780866,0.33150684931506874,0.0,1.4558680316006853,1.2146312954513787,0.7752182283751802,0.8192052921322994,1.0528553221622334,1.2841613487511336,0.1720289058292971,0.0,1.5000000000000009,1.3458333333333345,0.9189189189189196,0.8500000000000005,0.8095238095238098,0.885416666666667,0.0,0.0,1.4999999999999993,1.3458333333333323,0.9189189189189183,0.8499999999999996,0.8095238095238092,0.8854166666666662,0.0,0.0,1.4999999999999996,1.3458333333333325,0.9189189189189184,0.8499999999999996,0.8095238095238094,0.8854166666666665,0.0,0.0,1.5000000000000004,1.3458333333333339,0.9189189189189191,0.8500000000000003,0.8095238095238098,0.8854166666666667,0.0,0.0,1.499999999999999,1.3458333333333328,0.9189189189189184,0.8499999999999993,0.8095238095238089,0.885416666666666,0.0,0.0,1.4794520547945216,0.8802739726027401,0.7817104776008891,0.8802739726027401,1.07788649706458,1.956164383561645,0.0,0.0,22.358250002663056,11.179125001331531,18.375651117434302,22.35825000266306,3.726375000443843,11.179163508880366,7.105427357601002E-15,0.07771863877198548,0.01295310646199758,-1.5327961014840628,18.771029359497266,3.1285048932495445,1.7593888138627134,22.358250002663056,11.179125001331531,18.375651117434302,22.35825000266306,3.726375000443843,11.179163508880366,7.105427357601002E-15,0.07771863877198548,0.01295310646199758,-1.5327961014840628,18.771029359497266,3.1285048932495445,1.7593888138627134,22.358250002663056,11.179125001331531,18.375651117434302,22.35825000266306,3.726375000443843,11.179163508880366,7.105427357601002E-15,0.07771863877198548,0.01295310646199758,-1.5327961014840628,18.771029359497266,3.1285048932495445,1.7593888138627134,22.358250002663056,11.179125001331531,18.375651117434302,22.35825000266306,3.726375000443843,11.179163508880366,7.105427357601002E-15,0.07771863877198548,0.01295310646199758,-1.5327961014840628,18.771029359497266,3.1285048932495445,1.7593888138627134,22.358250002663056,11.179125001331531,18.375651117434302,22.35825000266306,3.726375000443843,11.179163508880366,7.105427357601002E-15,0.07771863877198548,0.01295310646199758,-1.5327961014840628,18.771029359497266,3.1285048932495445,1.7593888138627134,22.358250002663056,11.179125001331531,18.375651117434302,22.35825000266306,3.726375000443843,11.179163508880366,7.105427357601002E-15,0.07771863877198548,0.01295310646199758,-1.5327961014840628,18.771029359497266,3.1285048932495445,1.7593888138627134,31.276828750402075,15.44396993075659,25.98872569597811,31.01756949114281,5.169594915190469,15.44397043406535,-0.3888888888888946,0.12457468752386086,0.020762447920643478,-1.2497099058931653,18.411952409101254,3.068658734850209,1.747800024705294,0,11.790000000000001,12.210038640130147,-0.3069480880599707,0.11325964418960947,5.043588996094699,6.867641906423764,5.0,17.0,16.0,16.0,4.0,1.0,1.0,0.0,0.0,1.0,13.118483999999997,3.458920782506743,3.0814338487856467,2.4745939947072033,1.7983015954994568,1.2708335235040158,0.9121622992737595,0.08392307051869136,0.08392307051869126,1.871067874225049,1.6011240153584194,1.2342426825440136,0.8531521802612819,0.5832972158938632,0.34982365288205813,0.08392307051869104,0.08392307051869112,3.486242028554778,3.116946260973288,2.529913706224271,1.881474930519191,1.3834618185940937,1.0401325124994774,0.27091390189293746,0.27091390189293746,1.8100425822247235,1.5267614790742505,1.1328718091317647,0.7226338327363157,0.4318187967072528,0.1885593461331705,0.270913901892937,0.27091390189293707,3.6073376720643613,3.2729423845317465,2.768036718692512,2.2281638335665415,1.8336515350337306,1.5416282698328205,0.9439184268026232,0.9439184268026223,1.6316772701287245,1.3039466706041993,0.8141885139353197,0.29309417588502723,0.08518960464397451,0.369467173003318,0.9439184268026216,0.943918426802622,3.5064248507313165,3.1431186616982774,2.570467833345595,1.941863517670534,1.4640758686453386,1.1310754513747088,0.3992772455089826,0.39927724550898197,1.7712681918217177,1.4790121855094538,1.0664993069234692,0.6356963245904319,0.32962785381619836,0.07925884775060374,0.39927724550898164,0.3992772455089818,3.666797800123636,3.3484440806381026,2.8796654768961916,2.3839681228657956,2.0269322280263777,1.7527093594277972,1.2076448229620882,1.207644822962088,1.576518823046019,1.2335009674373807,0.7087201103281988,0.14362648027326913,0.2734143046970827,0.5763039461824171,1.2076448229620869,1.2076448229620875,3.5633185503877804,3.201166553459239,2.62209393059049,1.9745292906624647,1.501563955814679,1.2387453864081277,0.5217391304347828,0.5217391304347827,1.8252868883554147,1.3976503681561334,0.953927061915051,0.5667766519490779,0.26877056046796494,0.04142864612954636,0.521739130434782,0.5217391304347824,0,0,1,1,0,1,3,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.82842712474619,2.914213562373095,1.7071067811865475,0.9571067811865475,0.5,0.25,0.0,0.0,0.8047378541243649,0.5828427124746189,0.42677669529663687,0.31903559372884915,0.25,0.25,0.0,0.0,4.405777393935816,2.5236033621142737,1.4309036597828995,0.7618016810571369,0.348461712529338,0.14433756729740646,0.0,0.0,0.734296232322636,0.5047206724228548,0.35772591494572487,0.2539338936857123,0.174230856264669,0.14433756729740646,0.0,0.0,9.250966822715249,17.32702112163146,16.352941176470594,16.560000000000006,10.79132694610778,138.16953053892217,0.5139426012619582,0.9626122845350812,0.9084967320261441,0.9200000000000004,0.5995181636726544,7.676085029940121,2.2887900000000005,29.451999999999984,12.109311503912984,19.57341311905074,24.21862300782597,4.036437167970995,12.109325540282487,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,18.981177982793387,3.1635296637988977,1.7660687134087372,38,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,4.0,1.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,3.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.56,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3896527777777778,0.33409722222222227,0.0,0.0,0.9762500000000001,0.2902777777777778,0.0,0.7237500000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1840277777777777,3.5981944444444443,3.7559722222222223,0.0,1.9618055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9618055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3896527777777778,0.33409722222222227,0.0,0.0,0.21694444444444444,0.2902777777777778,0.0,0.33409722222222227,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1840277777777777,3.5981944444444443,1.1770833333333335,0.0,1.9618055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.5981944444444443,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3896527777777778,0.33409722222222227,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.3896527777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1840277777777777,3.5981944444444443,1.2951388888888888,0.0,1.9618055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.5,1.9166666666666667,0.3896527777777778,3.5981944444444443,0.21694444444444444,1.1770833333333335,4.44741,0.32291666666666663,0.5981944444444445,1.5644444444444443,0.32291666666666663,0.5981944444444445,1.5644444444444443,3.0,0.5,0.0,0.0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0.0,0.0,0.71429,0.0,0.0,0.33333,0.0,0.0,3.5,0.58333,2.5,0.41667,1.0,0.16667,-1.5,-0.25,0.0,0.0,4.16595,0.69433,5.31294,1.14699,0.19117,2.34933,0.39156,2.91421,0.56488,0.09415,-2.1E-4,-4.0E-5,-2.1E-4,-4.0E-5,0.0,5.0,0,0,0,0,0,0,0.6666666666666666,0.9182958340544896,2.2096909728231857,3.2390979179887864,3.350209029099897,3.4613201402110083,2.9979951400507514,16.529325012980813,39.77443751081734,58.303762523798156,60.30376252379815,62.30376252379815,53.963912520913524,0.22021878900384667,0.5299114425460622,0.7767760611685901,0.8034218907872712,0.8300677204059526,0.7189566092948414,3.2516291673878226,1.9602340286191264,0.9308270834535257,0.819715972342415,0.7086048612313038,1.1719298613915607,0.22021878900384667,0.5299114425460622,0.7767760611685901,0.8034218907872712,0.8300677204059526,0.7189566092948414,6.732876570223358,16.284477507603935,18.543292369278703,17.43392015416759,18.767253487500923,13.207353485577842,23.69925001442313,15.57894792087341,13.201671533026193,14.128321533346709,12.6817048657185,9.901754864756958,6.0,5.0,5.333333333333333,6,2,6,2.12,0.9110000000000007,0.19999999999999996,3.6144080144393795,0.0,0.0,3.965406456500188,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.10799999999999998,0.1,0.16700000000000004,0.167,2.6609999999999996,4.0,3.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,21.0,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.0,0.0,0.0,0.0,0.0,3.295836866004329,1.2380952380952381,0.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.6,4.0,0.8,0,3.0,5.0,0.6666666666666666,0.5,0.22222222222222232,0.125,0.08000000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.05555555555555558,0.041666666666666664,0.04000000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.23722222222222225,12.109311503912984,19.57341311905074,24.21862300782597,4.036437167970995,12.109325540282487,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,18.981177982793387,3.1635296637988977,1.7660687134087372,0.0,109.69590775520011,3.584962500721156,2.9444389791664403,3.4965075614664802,4.07753744390572,4.653960350157523,5.241747015059643,5.82600010738045,6.415096959171596,7.002155954403621,7.591357046698551,58.24880141741002,2.3978952727983707,0.0,3.295836866004329,0.0,4.343805421853684,0.0,5.459585514144159,0.0,6.608000625296087,6.996681488176539,84.093900384,4.671883354666666,10.839150429449553,1.8065250715749255,0.0,0.0,0.0,35.0,3.0,3.388,18.0,1.2189999999999996,2.124655495898603,2.870261089871546,3.5994409517009913,4.9303690975988355,5.978086628876181,7.169405073934542,0.0,0.0,0.0,72.30904117194119,64.64146840127175,60.43324485894492,69.47631058985368,69.6340874869422,36.888976612363585,7.284574397042227,0.0,0.0,0.0,274.32866786503496,309.9824628385688,311.52296558635396,381.2510510980305,437.40928915998353,418.2391144580404,222.851955039996,0.0,0.0,0.0,8.860546952235296,15.091320228107056,20.021558578433424,25.121343345529827,34.17003774371575,41.27259222959319,48.16738989064657,0.0,0.0,0.0,2.086978641717647,2.6330301450768983,2.8097768623201684,3.4923669662984507,4.229824878116388,4.516466754048371,3.187610015961196,0.0,0.0,0.0,175.19123256882932,330.2480674182006,474.2540473803763,593.2629008257228,830.6054913008325,1017.1154953916621,1325.7495526827126,0.0,0.0,0.0,2.9081470588235288,3.8488922972686863,4.616597367690194,6.181134852720861,8.642988481493157,10.402971765100745,7.169405073934542,0.0,0.0,0.0,0.4329992647058824,0.5575569430246378,0.60258145140276,0.7504699782821177,0.9174949755013144,0.9944584137351064,0.7341470795708972,0.0,0.0,0.0,354.92614242828716,141.804615265406,11.602836283406798,172.27571269444428,-68.82978805413093,-11.969929961311525,182.65042973384288,210.63440331953694,23.572766244718323,0.6732262775244998,0.2689759413543683,0.022008337358194012,0.32677372247550013,-0.13055680169810385,-0.022704643098277702,187.1177207197478,74.75965623288724,6.1170368132974025,90.82407532510172,-36.287191949842246,-6.310569281292601,0.1417401473624951,0.2568762128751567,2.925498362044253,6.672767062191342,527.2018551227314,0.0,1.0,0.0,331.05780846398096,18.194994049572564,6.917799096150221,447.9391783262493,21.164573662756577,7.651378442571916,470.4069179729553,21.688866221473063,7.777223265095241,2.2744745566031708,2.2744745566031708,418.6850912691687,400.7989294350969,31.24470958967396,1.0446262714805186,13.400191480977618,12.827737389742186,3.603042686218945,4.466158665423346,7.717752730116804,0.7280516229454739,3.5917933169468905,3.9148794456302003,2.8308429658717795,12.94577406791584,6.436852530010728,1.0273552803418124,4.032441475392635,9.057111410789389,3.8961845146997045,0.5294660821541781,1.5346017713852964,1.5982538138006899,1.5504315410436833,0.01744918634499147,6.938845574043978E-4,5.322087254225566E-27,7.873225010704502E-72,2.246462851283504E-138,1.2362938930062706E-226,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3014450314673431,3.9146919446439097,0.18426447507418017,3.920421939135581,0.04823277154580943,0.08478881347184163,0.413582797168073,0.2428757251712264,1.712715599433185,0.03682261279428603,0.10018629321882969,0.0859809451226877,0.07406243357985459,1.228964929014175E-4,4.887085673467917E-6,3.7483895693492956E-29,5.545176750688039E-74,1.5822021544265484E-140,8.707318974365938E-229,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9730752642699684,3.9147048741806185,0.629954714432748,4.6400948616052915,0.4798727770603892,0.26750338239515503,1.143307203309184,1.124846653652425,2.0717062894351073,0.12388351907566704,0.31737568840518415,0.3090231677199868,0.2760184991550666,0.0012806727021449163,5.092720068039551E-5,3.9061109336168474E-28,5.778501709591671E-73,1.6487766333397781E-139,9.073697709110988E-228,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.3903605526467677,3.9148590012945443,2.6353787349556224,11.996111956768846,5.737114813712443,0.9662263910979426,3.807727151773601,8.193034360985372,3.7318418643522158,0.49453161120718225,1.4200412030937148,1.4753752201725452,1.424884025556522,0.015546911193824276,6.182386482672247E-4,4.7418839270911065E-27,7.01490173859691E-72,2.0015579562042676E-138,1.1015156009989876E-226,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4341283636255202,3.9147212748858613,0.9639758525727123,5.467449116584091,1.035217732771672,0.3958063905180122,1.6469010757737008,2.0026284514677615,2.343885722466761,0.18765597569439846,0.48891820309152756,0.4875644079862767,0.4441696205855315,0.002781791141718818,1.1062068510790347E-4,8.484594908247222E-28,1.2551677874929641E-72,3.5813631680753194E-139,1.9709283911814582E-227,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.337608177287122,3.9149653216362372,3.5925305853625806,16.912864112224575,9.378093651606356,1.2575776060536719,4.868057208759484,12.624817768154253,4.539497411534435,0.6642345743845267,1.9891368385783934,2.0876194185801404,2.0552049893095496,0.025447996925063388,0.001011965414612221,7.7617640821569E-27,1.1482358740042474E-71,3.2762549424848393E-138,1.803018454105055E-226,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9240059110865353,2.8669465170757342,1.3436606236312238,5.8942789323184615,1.7648542963864473,0.4133769951280068,2.601724554530611,2.782704900770421,3.0214927970109176,0.26130244578620826,0.8011082126938602,0.6993012042355982,0.6896860568870551,0.004749874613302773,1.8888350900989276E-4,1.4487345266700975E-27,2.143184123896878E-72,6.1151351717358146E-139,3.3653368732117767E-227,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.449928346512267,0.7877108557443648,0.36818967500000005,0.8250180935319044,0.11924481702158432,0.5170538938811982,0.554548115489864,0.44443150498816053,6.605828877256632,6.589602072222778,14.776057339672207,0.7375271402978566,1.5160335143592225,4.731882474968973,0.2920703629468657,0.07937588773080492,0.9272149080244473,0.05723134421638837,0.38999584663366427,0.0760414116103645,0.020655647686431185,5.103328725646644,1.7808233483133677,6.993852934747789,0.8908223620366709,0.48669290593045994,5.016769727594625,0.4892199393927106,0.19408334947524786,0.8801237656264251,0.08582696010731392,0.4382232703567289,0.21377966663391407,0.12349181788582818,5.700073016462583,3.522924698826034,9.699337213944672,0.8201856484396378,0.7754947548764712,5.432122406698486,0.7754693407779993,0.3610394593694831,0.8269793562221932,0.11805645900317689,0.5136820474636123,0.5374626319579638,0.42733746257939514,6.568631206845968,6.453629950243249,14.543119799299486,0.7404690343332896,1.4784821420009713,5.143884526789732,0.5769687952684628,0.24521318646671855,0.8621902755256977,0.09670840820229411,0.4606671061601356,0.297484712147464,0.19712843240539796,5.9660665085249125,4.370689530832561,11.064514657440972,0.7932854132885465,0.9552802507129976,5.505683066084888,0.8260266947741794,0.39057509111634103,0.819019602310811,0.12287885934072602,0.5276849866669288,0.6097326477408687,0.5001159575205801,6.722284851975409,7.020849302322026,15.519407639727161,0.7285294034662165,1.6375335919283778,5.475525828830822,0.7736811346834858,0.36054800249999996,0.8284007284664249,0.11705140941858798,0.5219233087993211,0.5349831596067494,0.42617484733042316,6.609754966014307,6.489450124142738,14.626598572241566,0.7426010926996373,1.4830813157364937 +UMLCN0239,L,"2,2,6,6,8,8-hexamethyl-4-methylene-nonane",C=C(CC(C)(C)C)CC(C)(C)CC(C)(C)C,Olefins,,C16H32,Creton (2011),Unknown,UML,,5,0,5.907099999999999,34.893830409999985,74.6084,49.49737599999996,0,0,48,16,32,0,16,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2340.7399839999966,2551.388631000001,3950.858040000003,3615.791440000013,3967.805374999993,2906.577923000013,2813.6875359999904,1846.2588539999983,1626.0395849999902,7770.950249779037,10024.325250096545,15394.741908129698,19167.824996005318,18880.467103695624,17164.977103629197,14570.093139435166,11834.767336507997,9233.95560895377,335.639104,340.8719640000003,639.5593920000011,889.3525119999986,1406.2389080000057,858.7675639999986,1274.7621760000043,621.771288,921.576132000002,58.850012955168054,77.46691791999997,121.69744511577176,164.8851854800001,172.71475479401164,152.0542297899999,140.27453597885963,106.93048910999983,93.16209130369178,7946.074562215969,6801.836868162803,14039.415615929178,18565.944850433178,35050.97082538223,18085.09561769607,32510.857412221707,13163.692501284877,23868.461482261024,87.21527777777777,100.5,155.22916666666669,243.79166666666666,286.97916666666663,250.0,242.8125,177.0,166.5,48.76541633333326,54.28486448936173,43.8984226666667,29.15960838709688,19.45002634803918,24.221482691666775,15.12735234408597,21.221366137931014,12.044737666666594,161.89479687039662,213.28351595950096,171.05268786810774,154.57923383875257,92.5513093318413,143.04147586357664,78.33383408298477,136.03180846560917,68.39967117743532,6.992481333333333,7.25259497872341,7.106215466666679,7.172197677419343,6.8933279803921845,7.156396366666655,6.853560086021528,7.146796413793104,6.826489866666681,1.2260419365660011,1.6482322961702123,1.3521938346196862,1.3297192377419362,0.846640954872606,1.2671185815833326,0.7541641719293528,1.229086081724136,0.6900895652125317,165.54322004616603,144.719933365166,155.99350684365754,149.72536169704176,171.8184844381482,150.70913014746728,174.78955597968658,151.30681035959628,176.80341838711868,1.8169849537037035,2.1382978723404253,1.7247685185185186,1.9660618279569892,1.4067606209150325,2.0833333333333335,1.3054435483870968,2.0344827586206895,1.2333333333333334,0.07542647436039908,-0.017402448949353576,0.03315004039374502,-0.0997969743610064,0.11461438757867742,-0.14767292502265505,0.12995320693880993,-0.11390187628439064,0.09463915549572635,1291.3707626666678,-53.807115111113305,645.685381333331,-2044.670374222228,1977.4114803333423,-2340.609507333336,1937.0561440000095,-1856.3454713333367,1452.7921080000056,2401.359076685042,-100.05662819521012,1200.67953834252,-3802.1518714179765,3677.0810861739737,-4352.463326491633,3602.0386150275663,-3451.9536727347427,2701.5289612706715,0.25297066666666634,-0.010540444444440949,0.12648533333333623,-0.4005368888888818,0.3873613333333275,-0.4585093333333268,0.3794559999999926,-0.36364533333332877,0.2845919999999936,10.735192371722643,-0.44729968215508165,5.36759618586136,-16.997387921894198,16.43826331920022,-19.45753617374732,16.102788557583875,-15.431839034351324,12.077091418187916,58.313735343455846,-2.429738972644845,29.15686767172726,-92.33008096047338,89.29290724466827,-105.69364531001513,87.47060301518566,-83.82599455621882,65.6029522613893,9.906105324074092,-5.282338083526238,7.868471498842589,-15.271616994598782,19.702003761574094,-21.216652199074097,17.296567563657483,-16.01514576099538,12.721110026041716,0.0015713848825083141,-3.70264871262842E-4,3.6833378215272246E-4,-8.048143093629549E-4,5.618352332288109E-4,-0.0012306077085221254,6.986731555849997E-4,-0.0013092169687860993,7.010307814498248E-4,26.90355755555558,-1.144832236406666,7.174282014814788,-16.48927721146958,9.693193531045795,-19.5050792277778,10.414280344086073,-21.337304268199272,10.761423022222264,50.02831409760504,-2.1288644296853216,13.340883759361333,-30.662515092080454,18.024907285166538,-36.27052772076361,19.36579900552455,-39.67762842223842,20.01132563904201,0.005270222222222215,-2.242647754136372E-4,0.0014053925925926248,-0.0032301362007167884,0.0018988300653594485,-0.0038209111111110563,0.0020400860215053366,-0.004179831417624469,0.002108088888888841,0.22364984107755506,-0.009517014513937907,0.05963995762068178,-0.13707570904753386,0.08057972215294226,-0.1621461347812277,0.08657413203002083,-0.17737746016495776,0.0894599364310216,1.2148694863219969,-0.05169657388606053,0.3239651963525251,-0.7445974271005917,0.4377103296307268,-0.8807803775834594,0.4702720592214283,-0.9635171788071129,0.48594779452880965,0.20637719425154358,-0.11239017198991995,0.08742746109825099,-0.12315820156934501,0.09657844981163771,-0.17680543499228416,0.09299229872934131,-0.18408213518385494,0.09423044463734605,-0.23562965087955334,0.23440074182511655,-0.5121687998412424,0.3575414524365187,-0.7831357691043679,0.4446225513317569,-0.8331612346278076,0.4461229004130474,-0.0425531914893634,0.26666666666666544,-0.6129032258064528,0.3602941176470601,-0.7250000000000001,0.38709677419355,-0.7931034482758628,0.4000000000000012,-0.042553191489361715,0.26666666666666644,-0.6129032258064505,0.36029411764705915,-0.7249999999999991,0.38709677419354876,-0.7931034482758609,0.39999999999999986,-0.04255319148934764,0.26666666666667316,-0.6129032258064415,0.3602941176470539,-0.7249999999999905,0.3870967741935413,-0.7931034482758532,0.3999999999999915,-0.04255319148935899,0.26666666666666855,-0.6129032258064521,0.36029411764705715,-0.7250000000000012,0.3870967741935462,-0.7931034482758634,0.3999999999999981,-0.04255319148937661,0.26666666666666056,-0.6129032258064623,0.36029411764706487,-0.7250000000000096,0.38709677419355676,-0.7931034482758719,0.40000000000000896,-0.5445862000281523,0.42362946843675814,-0.5967626511058833,0.46797055344168853,-0.8567101400592947,0.4505938704447998,-0.8919693663413496,0.4565933022739564,1.6410171447760489,0.7363900237225134,1.7465552221237202,0.4587128344336692,2.2711591871674384,0.3512829292082615,2.2348790348650875,0.18592096724410867,1.4999999999999998,0.9302083333333332,1.9188508064516128,0.4535845588235293,2.001171875,0.3553427419354838,2.051185344827586,0.2937499999999999,1.499999999999999,0.9302083333333327,1.918850806451611,0.45358455882352905,2.001171874999998,0.35534274193548365,2.051185344827584,0.2937499999999999,1.4999999999999996,0.930208333333333,1.9188508064516139,0.45358455882352927,2.0011718750000007,0.35534274193548376,2.05118534482759,0.29374999999999996,1.5000000000000036,0.9302083333333349,1.9188508064516185,0.4535845588235301,2.0011718750000056,0.3553427419354847,2.05118534482759,0.2937500000000007,1.500000000000002,0.9302083333333344,1.9188508064516165,0.4535845588235299,2.001171875000004,0.3553427419354844,2.051185344827587,0.29375000000000057,2.0231630909436076,0.3166693441992468,1.878847696764485,0.21561726003365925,2.843434446700058,0.12515022842258133,2.6688086927312242,0.01976895327949055,118.87168124294502,59.43584062147248,89.62894483525572,118.87168124294496,7.42948007768406,59.43584062147248,-6.394884621840902E-14,0.040963660960136705,0.002560228810008544,-5.112111877336567,603.8616737716919,37.741354610730745,10.245352247635438,118.87168124294502,59.43584062147248,89.62894483525572,118.87168124294496,7.42948007768406,59.43584062147248,-6.394884621840902E-14,0.040963660960136705,0.002560228810008544,-5.112111877336567,603.8616737716919,37.741354610730745,10.245352247635438,118.87168124294502,59.43584062147248,89.62894483525572,118.87168124294496,7.42948007768406,59.43584062147248,-6.394884621840902E-14,0.040963660960136705,0.002560228810008544,-5.112111877336567,603.8616737716919,37.741354610730745,10.245352247635438,118.87168124294502,59.43584062147248,89.62894483525572,118.87168124294496,7.42948007768406,59.43584062147248,-6.394884621840902E-14,0.040963660960136705,0.002560228810008544,-5.112111877336567,603.8616737716919,37.741354610730745,10.245352247635438,118.87168124294502,59.43584062147248,89.62894483525572,118.87168124294496,7.42948007768406,59.43584062147248,-6.394884621840902E-14,0.040963660960136705,0.002560228810008544,-5.112111877336567,603.8616737716919,37.741354610730745,10.245352247635438,118.87168124294502,59.43584062147248,89.62894483525572,118.87168124294496,7.42948007768406,59.43584062147248,-6.394884621840902E-14,0.040963660960136705,0.002560228810008544,-5.112111877336567,603.8616737716919,37.741354610730745,10.245352247635438,178.99286721891048,89.06240583167741,136.20284716714033,178.23331860779928,11.139582412987455,89.06240583167741,-0.8680555555556566,0.01465033326473597,9.156458290459982E-4,-6.757267512530659,97.81119339772407,6.113199587357754,7.332862435857791,0,11.89,12.110287805853513,-0.15921854807439467,0.062243321596741286,6.674292968750003,10.954726100266406,15.0,47.0,46.0,46.0,14.0,1.0,1.0,0.0,0.0,1.0,34.982623999999994,3.7120593723276527,3.5523475838893654,3.31333997206271,3.047925001740689,2.3335527931030504,2.333552793103049,2.3335527931030473,2.333552793103046,2.0054747867987026,1.9063071151793147,1.746464804229518,1.5313495769906342,1.2496297225843556,1.2496297225843553,1.2496297225843551,1.249629722584355,3.730299544932362,3.574596425193862,3.3408659374069134,3.0788608438149523,2.4054545878412914,2.4054545878412905,2.4054545878412883,2.405454587841286,1.9592345353071532,1.8515038346751425,1.6807157530246968,1.4591413594681886,1.1345406859483518,1.1345406859483504,1.1345406859483502,1.1345406859483502,3.8129427056349066,3.675303700554667,3.4654591558862187,3.2191159649004675,2.7042369872335206,2.7042369872335206,2.70423698723352,2.7042369872335192,1.829949681669456,1.6959621423004199,1.4909383549018629,1.2477490676950123,0.7603185604308984,0.760318560430898,0.7603185604308973,0.7603185604308966,3.7438626391170113,3.5911425555567518,3.3613495357609446,3.1019094937737597,2.4575399160416946,2.4575399160416933,2.457539916041693,2.457539916041692,1.9303992743736484,1.817087498107325,1.639102236029503,1.4131406531787634,1.058262670532712,1.0582626705327116,1.0582626705327114,1.0582626705327112,3.854745637362889,3.726015803411733,3.527914825622809,3.289223444668773,2.8389820851496497,2.8389820851496492,2.838982085149649,2.838982085149648,1.791608393391898,1.6493463060278557,1.4333882668142013,1.1830300925202104,0.6313372621875627,0.6313372621875626,0.6313372621875613,0.6313372621875604,3.7238224781473948,3.5511817155912864,3.382762060451927,3.223803796818618,2.5839777747977575,2.5839777747977575,2.5839777747977575,2.5839777747977566,1.9930419868901532,1.8473598231156296,1.6294544778866764,1.2984146488027815,0.9240354116853662,0.9240354116853653,0.924035411685365,0.9240354116853641,0,0,1,0,1,8,3,0,3,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.617102259341004,0.9571067811865475,0.0,0.0,4.505203820042827,0.9571067811865475,0.0,0.0,2.3509536313039,6.29313105548891,5.259781134169407,2.0909902576697323,5.346732950922029,4.400349474438846,13.198670612749268,6.808060412490447,8.975730607215777,2.870765194998925,3.5687059416372904,0.751581125454295,0.981220788840218,0.15309310892394865,0.8249169132968293,0.4538706941660298,0.3739887753006574,0.1794228246874328,0.1551611278972735,0.06832555685948137,0.061326299302513626,0.025515518153991442,12.82842712474619,6.474873734152917,8.565863991822647,2.5177669529663693,2.987436867076459,0.6325825214724777,0.7948446513295125,0.13258252147247765,0.8017766952966369,0.4316582489435278,0.356910999659277,0.15736043456039808,0.1298885594381069,0.05750750195204343,0.049677790708094534,0.022097086912079608,24.66924486057394,46.20538965768395,43.60784313725487,44.16000000000002,28.77687185628747,368.4520814371258,0.5139426012619571,0.9626122845350823,0.9084967320261431,0.9200000000000004,0.5995181636726556,7.676085029940121,5.757490000000006,75.41200000000006,60.30914746356662,90.52427398395206,120.61829492713323,7.538643432945827,60.30914746356662,0.05087499398559586,0.0031796871240997414,-4.7654140055018095,237.67843920167215,14.85490245010451,8.753469862923689,189,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,11.0,2.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,1.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.659650415721845,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.28094387755102035,0.0,0.0,0.0,2.5704450113378687,0.5805555555555556,0.0,0.28094387755102035,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.556354166666665,4.255252267573696,3.5469005102040816,0.0,0.0,0.0,0.0,0.0,0.0,1.4043981481481485,0.0,0.0,1.153761574074074,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4043981481481485,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.28094387755102035,0.0,0.0,0.0,0.212046485260771,0.2902777777777778,0.0,0.28094387755102035,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2866450538548753,4.255252267573696,1.1394571995464853,0.0,0.0,0.0,0.0,0.0,0.0,1.4043981481481485,0.0,0.0,0.36993634259259256,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.255252267573696,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.28094387755102035,0.0,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.28094387755102035,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3671527777777777,4.255252267573696,1.2531377551020408,0.0,0.0,0.0,0.0,0.0,0.0,1.4043981481481485,0.0,0.0,0.4082465277777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,28.916666666666668,1.8072916666666667,0.2902777777777778,4.255252267573696,-0.05513888888888885,0.36993634259259256,11.16377271376606,0.8800636574074074,1.2552522675736963,7.623212868480726,0.8800636574074074,1.2552522675736963,7.623212868480726,8.0,0.5,0.0,0.0,0.43333,0.7,0.428,0.428,0.7,0.00533,0.00533,-0.0,0.0,0.71429,0.0,0.0,0.5625,0.0625,0.1875,8.5,0.53125,7.5,0.46875,1.0,0.0625,-6.5,-0.40625,0.0,0.0,25.36722,1.58545,27.57375,2.20653,0.13791,6.30487,0.39405,6.80805,0.50319,0.03145,1.10595,0.06912,1.10595,0.06912,0.0,15.0,0,0,0,0,0,0,0.875,0.9182958340544896,1.8357623888374266,2.5008145836939115,2.802694271103767,3.599060156295072,3.4006346814611255,44.0782000346155,88.11659466419647,120.03910001730776,134.5293250129808,172.75488750216346,163.23046471013402,0.16442291849514026,0.3286973526859642,0.4477764324059462,0.5018286641569876,0.6444197531908843,0.6088912290856061,4.666666666666668,3.7492001118837304,3.0841479170272454,2.78226822961739,1.9859023444260848,2.1843278192600315,0.16442291849514026,0.3286973526859642,0.4477764324059462,0.5018286641569876,0.6444197531908843,0.6088912290856061,6.732876570223358,15.270774276136875,17.029917096052642,20.65247334497091,20.711928227717074,20.0539427768596,63.19800003846167,42.66247062315565,41.120051048697945,30.83659166810898,30.77832083357372,32.57521456891392,16.0,5.104166666666667,9.953125,16,2,9,3.2199999999999998,2.3200000000000007,7.825206482448319,8.393894204351614,2.858809023692542,9.215935551630805,1.1905507889761497,2.080083823051904,4.363906365767585,0.0,1.1905507889761497,0.8254818122236568,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.25699999999999995,0.229,-0.09399999999999997,0.11199999999999999,6.391999999999999,24.0,16.0,23.0,11.0,16.0,6.0,9.0,0.0,0.0,136.0,2.833213344056216,3.295836866004329,2.9444389791664403,3.4011973816621555,2.5649493574615367,2.995732273553991,1.9459101490553132,2.302585092994046,0.0,0.0,5.0238805208462765,1.1102941176470589,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.4,14.0,0.9333333333333333,1,4.0,8.0,1.0,9.0,1.5555555555555565,2.375,0.40000000000000024,0.7777777777777775,0.12244897959183672,0.28125,0.0,0.0,0.0,0.6,0.06481481481481485,0.1484375,0.017391304347826098,0.07070707070707068,0.007653061224489795,0.046875,0.0,0.0,0.0,0.9558787510942015,60.30914746356662,90.52427398395206,120.61829492713323,7.538643432945827,60.30914746356662,0.05087499398559586,0.0031796871240997414,-4.7654140055018095,237.67843920167215,14.85490245010451,8.753469862923689,0.0,282.6557540138673,5.0,4.3694478524670215,5.0689042022202315,6.018593214496234,6.729824070489475,7.682021510826875,8.398184404834035,9.350884616968491,10.069637382330217,11.022572178834904,99.71006943346748,3.4339872044851463,0.0,4.844187086458591,0.0,6.3473892096560105,0.0,7.902117546276448,0.0,9.488047863280759,9.719865150009126,224.25040102399998,4.671883354666666,29.443813578416187,1.8402383486510117,0.0,0.0,0.0,468.0,16.0,8.394000000000002,78.0,1.2382765957446804,2.141154504359992,2.998739191675365,3.472615973556847,4.223600958848189,4.697449264818675,6.354722584218598,6.740630601744973,8.573799290255485,8.753177564101472,78.55945658602121,107.2515349026369,91.41872696438656,75.28912788777558,118.192053586564,90.96088831766885,149.04395606025628,98.96647218743526,103.80374250146066,8.893788608491198,290.59898399375754,402.80937458612567,472.8341488772397,343.3534612344197,641.2769552261404,431.2822027990598,897.5943146482243,519.4531683241569,983.7287200038679,272.0815343610829,9.017004326723413,15.293087236088667,21.520275041614642,23.986972511123653,30.276608894500708,32.36384395101252,45.461308385292604,46.177927427227,61.025148189899696,58.807908350023446,2.184721944287658,3.1144053459366052,4.0378934226782475,3.073569926867592,5.553243136281784,3.948796217679756,7.990363241288718,5.0312775545241575,9.547305414746027,3.8917757034342486,176.94420694306737,328.50481351134874,448.1950825992511,593.1392253169978,633.3696016526629,808.484309508302,958.6862735709362,1179.5858124618549,1312.841990902973,1618.6170429049796,2.682968085106383,3.897707067630965,5.912827918624873,4.9447350676002895,8.694925739565727,6.494929492314844,12.842629563409307,8.688975558461722,17.14759858051097,8.753177564101472,0.4523088829787231,0.649395318954756,0.8541878245131929,0.660402275476067,1.1773008925404773,0.8519443755321647,1.701094040423306,1.096324692071269,2.057711829661315,0.8963253825639906,432.7515082387282,368.69419047311015,10.987846702362353,131.67550366039399,-112.18445759968665,-8.066290083468587,301.0760045783342,480.8786480727968,19.05413678583094,0.7667094223266411,0.6532185432312466,0.019467258778759804,0.23329057767335878,-0.19875813034216888,-0.014291112780602078,244.25664069002374,208.1009602333034,6.201837481420007,74.3212110713481,-63.31993818451491,-4.552832008923696,0.06272546460219611,0.11668564845997464,0.26642222508038343,0.7265820451682717,564.4270118991222,0.0,1.0,0.0,954.0487008324628,30.887678786734085,9.844421075111434,1264.4584800368782,35.55922496395103,10.813547470992852,2153.2872669746134,46.40352644977118,12.913203369472829,2.589098295813498,2.589098295813498,2354.295653620886,2348.7938934498457,336.6793824104806,1.0023423767348778,6.99269327621173,6.976352031518783,5.871382258813504,5.70299564307417,11.300836969540066,0.9815615646250798,9.08816291515462,13.750504362801593,8.576221069198207,59.75216730847861,9.606497955901204,38.35585185407962,24.400868790784163,29.955666954941172,31.72390936967646,11.096033791653907,16.445535651188298,24.848518076093857,17.94198440350157,23.629883655412936,8.63192352709734,9.042340847736849,7.345884061554846,7.881595396256342,2.5686461204922773,6.173948955086805,0.19945611319476728,0.03788666074643578,1.1788505073093552E-21,7.07672108610553E-63,8.193723952937505E-126,1.829812047212171E-210,7.8814755E-317,0.0,0.0,0.0,0.76271594880007,13.45883573363756,0.5313664939387863,27.08848349996299,3.6367202098848126,3.710422726410686,1.3419065210203098,1.645690891184824,9.558516235708113,1.0011896046147597,0.4696982071191802,6.765201246876354,0.7516630105457505,7.09750465366185,0.2559725865119246,0.39386503907303544,1.7691061945741438,0.2871920698739867,1.0672023743198407,0.11785509878103645,0.0014049494318016749,2.6683884945076904E-4,8.302740512027746E-24,4.984192523955926E-65,5.770906776271485E-128,1.2887515863619254E-212,5.55103E-319,0.0,0.0,0.0,2.4621148685018657,13.48921365908861,1.8394423307276266,32.166171788462016,4.119186779241099,8.499324771818774,4.060679316793684,5.62125942570786,12.714149323825325,1.8455709718500721,2.111466335107908,9.270347523198977,2.9222738075233865,9.48258630254827,1.134666410903696,1.4975270764732453,2.7765981954596315,1.173698702651411,1.2595822693175918,0.6442076161715248,0.014639370856615045,0.00278066654511134,8.652095758191185E-23,5.193912893225582E-64,6.013729800126075E-127,1.3429785162587185E-211,5.78456E-318,0.0,0.0,0.0,8.578484204484843,13.722333533363184,7.965544838286094,57.190148840062285,8.98062735388008,35.42724482398538,22.285908347227508,27.58467305654529,29.88272513187519,10.04778638257593,14.894672543394645,23.321887224428256,16.416158937606276,22.26772054969414,7.82516776242564,8.278808215776541,6.958188292443978,7.181885946252717,2.4363651478701716,5.552086533494782,0.17771191866947345,0.03375633263096875,1.0503345785274694E-21,6.305231081671455E-63,7.3004605260102E-126,1.6303295909671532E-210,7.022253E-317,0.0,0.0,0.0,3.628699633517558,13.518724724755444,2.8365818908842857,36.12385033881191,4.668946006901702,12.464616546468019,6.517325698112576,8.885740640927233,15.2868164366831,2.7863247547819863,3.719274824086694,11.342212983886542,4.80969912902511,11.413681834217892,1.984608125620089,2.4516218423377043,3.507061127836516,1.9793159641483213,1.425522732949585,1.216293958356583,0.031798266838061987,0.006039979307074974,1.8793508137169843E-22,1.1281872849150384E-63,1.3062624720306842E-126,2.9171287950041198E-211,1.256483E-317,0.0,0.0,0.0,10.975274695104087,13.866520268682157,10.971460255023844,69.87669872758318,12.219485506375474,50.116178577966075,33.03016797542097,39.45865210358673,39.09079807177859,15.465736737777123,22.838093433188472,30.977350135153028,24.128992048825822,29.070830436438513,11.952776080062568,12.13513779814937,8.83390515561861,10.73888587256124,3.1042529290569827,8.761545205591963,0.29088746189268333,0.05525413405070895,1.7192426746858425E-21,1.0320732622706502E-62,1.1949776326294616E-125,2.668608902244703E-210,1.1494391E-316,0.0,0.0,0.0,5.5294194111765105,9.740796156480242,3.7245169100253728,42.02437173943397,5.157951511878395,19.205196646343694,9.576305411576891,13.525210027495607,20.35500853511049,4.429746747445134,6.279318763840565,15.116515369360743,8.278750410583633,12.361802358625505,3.368240288048493,3.093780659393838,5.022632249501558,3.2697874999371064,1.9288373767395333,2.1863616403996433,0.061065440786671636,0.011599248077441122,3.609127648386089E-22,2.166584276243422E-63,2.5085619829172913E-126,5.602088822964185E-211,2.412965E-317,0.0,0.0,0.0,10.964562116734282,1.3420192158299251,1.314756504329036,0.804954861851887,0.09852330453144484,0.5655715468848433,0.5008012330473344,0.5127213146144836,13.621337836893243,30.89481090686133,63.86233455520722,0.7074322927778305,1.5790940945466614,9.73698780035436,0.766994890433897,0.738309550266666,0.8661034237125192,0.06822406623028027,0.44601879220939067,0.16358669233877973,0.161684237771385,11.242292241054923,15.223410627533708,31.979560937671106,0.7991551355687788,0.7712897223195554,10.224540007598016,0.9953763534043474,0.9672555696726352,0.8389591995385691,0.0816741044654498,0.4918037853245401,0.275506499245773,0.2775065199174842,12.187171930675,21.02979193944043,43.060980462004515,0.7584387993078536,1.0448168044877972,10.934170790283702,1.3277832787855512,1.3004853019095985,0.806209745252822,0.09790150890014414,0.5624405789570158,0.4902331789764489,0.5016509190536319,13.56243937097885,30.464700182239255,62.90785715338035,0.7093146178792329,1.5543246769870969,10.441862297284095,1.0971751679635566,1.0693062337858195,0.82817081660651,0.08701976993597214,0.5129327411246518,0.3347391205418054,0.3391524127523607,12.60834369903347,23.79531671335244,48.654222904929775,0.7422562249097651,1.1868242744188178,11.059709259459238,1.3865881201590817,1.359435828860677,0.8010953922147903,0.10043567402182507,0.5754299684890276,0.5346156232461626,0.5481610084767908,13.805733208478998,32.25520406608747,66.90824116397846,0.7016430883221856,1.6582066002119809,10.937740433971962,1.3288144692698585,1.3032262140999147,0.8060366146948301,0.09792453229563719,0.5628071593767381,0.4910037413726283,0.5037677148891703,13.569781117341735,30.52032365638051,63.03149137893386,0.7090549220422452,1.5575786156385365 +UMLCN0240,L,1-heptene,CCCCCC=C,Olefins,,C7H14,NREL (2014),IQT,PubChem,,32,0,0.15039999999999942,0.022620159999999827,29.232499999999995,21.65510199999999,0,0,21,7,14,0,7,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1024.0737430000001,1035.0839579999997,1007.9121409999996,841.5516520000001,646.8270510000002,450.07032200000015,253.31359300000003,67.647888,6.0963840000000005,3399.7907342783346,4147.41403968324,5005.196640716016,4672.642311888154,3728.0114557948973,2721.2131108397707,1714.4147658846414,791.2692928691047,186.50246658558157,146.842108,144.889944,255.1558280000002,320.3209120000001,270.8729400000002,207.98804000000013,145.10314,82.61740799999998,40.310784,25.746880667885982,32.32302034000001,43.11292236879204,43.20797010667807,35.07566705698001,26.05413819758398,17.032609338188,8.680011883943003,2.6676774290939997,3476.4076209694867,2904.4818045206007,5635.131594040693,7637.81672315148,6528.696872161381,5049.741717122784,3570.7865620841885,2060.0363027342432,1109.505912145494,40.0,44.75,62.0,69.75,59.5,47.5,35.0,20.0,6.0,48.76541633333334,51.75419789999999,27.99755947222221,18.294601130434785,16.585309000000006,15.002344066666671,12.062552047619048,5.637324,1.016064,161.89479687039687,207.370701984162,139.03324001988935,101.57918069322074,95.59003732807429,90.70710369465903,81.63879837545912,65.93910773909205,31.083744430930263,6.992481333333333,7.2444972000000005,7.087661888888895,6.963498086956523,6.945460000000005,6.932934666666671,6.909673333333333,6.884783999999999,6.718464,1.2260419365659991,1.6161510170000004,1.19758117691089,0.9393036979712623,0.8993760783841028,0.8684712732527994,0.8110766351518095,0.7233343236619169,0.44461290484899996,165.54322004616603,145.22409022603003,156.53143316779702,166.0394939815539,167.40248390157387,168.32472390409282,170.03745533734232,171.66969189452027,184.917652024249,1.9047619047619047,2.2375,1.7222222222222223,1.516304347826087,1.5256410256410255,1.5833333333333333,1.6666666666666667,1.6666666666666667,1.0,0.049280703911312604,-0.00761420228783663,-0.02284584866688341,0.001606243401560254,0.001311170999483106,0.0018585182495467947,-0.001760596622297348,-0.004526531258006589,0.007330894228777518,564.9747086666667,-53.80711511111061,-242.13201799999973,-26.903557555555775,-2.7355895326763857E-13,-2.4513724383723456E-13,-1.8829382497642655E-13,-40.35533633333347,80.7106726666665,1050.5945960497056,-100.05662819521007,-450.25482687844533,-50.02831409760489,1.4210854715202004E-13,1.4210854715202004E-13,8.526512829121202E-14,-75.04247114640752,150.0849422928151,0.11067466666666656,-0.010540444444442994,-0.04743199999999892,-0.005270222222222509,-4.44956571588051E-16,-4.518954654919582E-16,-4.588343593958655E-16,-0.007905333333333667,0.015810666666666192,4.696646662628665,-0.4472996821551044,-2.0128485696979928,-0.2236498410775563,-2.3592239273284576E-15,-2.581268532253489E-15,-2.1371793224034263E-15,-0.3354747616163348,0.6709495232326645,25.512259212761954,-2.4297389726439804,-10.93382537689797,-1.2148694863219975,-2.4424906541753444E-15,-5.995204332975845E-15,-5.995204332975845E-15,-1.8223042294830023,3.644608458965991,5.2857142857142865,-0.6173469387755108,-1.2755102040816322,-0.13775510204081548,-0.10204081632652966,0.02040816326530645,0.28571428571428586,-1.3061224489795917,0.4897959183673472,0.002346700186252981,-3.807101143918315E-4,-6.34606907413428E-4,3.491833481652726E-5,3.361976921751554E-5,6.19506083182265E-5,-8.383793439511181E-5,-3.7721093816721574E-4,0.001221815704796253,26.903557555555558,-2.6903557555555304,-6.7258893888888815,-0.5848599468599082,-7.014332135067656E-15,-8.171241461241152E-15,-8.966372617925073E-15,-3.362944694444456,13.451778777777749,50.028314097605026,-5.002831409760503,-12.507078524401258,-1.0875720456001063,3.643808901333847E-15,4.736951571734001E-15,4.0602442043434294E-15,-6.2535392622006265,25.014157048802517,0.005270222222222217,-5.270222222221497E-4,-0.0013175555555555256,-1.1457004830918499E-4,-1.1409142861232077E-17,-1.5063182183065275E-17,-2.1849255209326927E-17,-6.587777777778055E-4,0.002635111111111032,0.22364984107755548,-0.02236498410775522,-0.05591246026938869,-0.004861953066903398,-6.049292121355019E-17,-8.604228440844963E-17,-1.0177044392397268E-16,-0.02795623013469457,0.11182492053877742,1.2148694863219978,-0.12148694863219903,-0.30371737158049916,-0.02641020622439125,-6.26279654916755E-17,-1.9984014443252818E-16,-2.854859206178974E-16,-0.1518586857902502,0.6074347431609984,0.2517006802721089,-0.03086734693877554,-0.03543083900226756,-0.0029946761313220755,-0.002616431187859735,6.802721088435483E-4,0.013605442176870755,-0.10884353741496598,0.08163265306122454,-0.1622321064369617,-0.2704252171329634,0.014879759681735058,0.014326401563549045,0.026399029872300885,-0.03572588219246591,-0.1607410015036967,0.5206526645174681,-0.09999999999999906,-0.2499999999999997,-0.021739130434782785,-2.6072136075621727E-16,-3.0372345532250246E-16,-3.3327832571620353E-16,-0.12500000000000042,0.4999999999999989,-0.10000000000000002,-0.25000000000000006,-0.02173913043478255,7.283493291868263E-17,9.468541279428742E-17,8.115892525224637E-17,-0.12499999999999996,0.5000000000000001,-0.09999999999998634,-0.24999999999999456,-0.021739130434783815,-2.1648314587428064E-15,-2.8581683177514675E-15,-4.145793913053266E-15,-0.12500000000000538,0.4999999999999855,-0.09999999999999853,-0.2499999999999992,-0.02173913043478269,-2.7048050167213374E-16,-3.8471873708424673E-16,-4.550436675190015E-16,-0.1250000000000006,0.49999999999999856,-0.09999999999999938,-0.24999999999999978,-0.021739130434782605,-5.1551188170246075E-17,-1.6449515497960338E-16,-2.349930785422906E-16,-0.1250000000000004,0.4999999999999996,-0.12263513513513523,-0.1407657657657657,-0.011897767332549864,-0.010395010395010297,0.0027027027027027454,0.054054054054054064,-0.43243243243243235,0.32432432432432445,1.459375918091318,1.231003763643625,0.7836959873212496,0.8231794147384368,0.8946557903981862,1.1341229903740238,1.3813235534452535,0.18503240071390412,1.5000000000000004,1.3690476190476197,0.9316770186335408,0.8791208791208796,0.8571428571428573,0.8163265306122449,0.8928571428571428,0.0,1.5,1.3690476190476186,0.9316770186335402,0.879120879120879,0.8571428571428573,0.816326530612245,0.8928571428571431,0.0,1.4999999999999993,1.3690476190476184,0.9316770186335399,0.8791208791208788,0.8571428571428569,0.8163265306122448,0.8928571428571428,0.0,1.5000000000000009,1.3690476190476197,0.9316770186335409,0.8791208791208794,0.8571428571428577,0.8163265306122452,0.8928571428571431,0.0,1.5000000000000013,1.3690476190476206,0.9316770186335415,0.87912087912088,0.8571428571428578,0.8163265306122454,0.8928571428571435,0.0,1.466216216216216,0.880255255255255,0.7505875440658047,0.8367983367983367,0.993243243243243,1.2162162162162158,2.207207207207207,0.0,31.29501807098783,15.647509035493922,25.506350788993284,31.29501807098784,4.470716867283977,15.64750952933179,1.2434497875801753E-14,0.06471634956611322,0.009245192795159032,-1.9164189879189975,36.55428908295149,5.222041297564499,2.5191589693772407,31.29501807098783,15.647509035493922,25.506350788993284,31.29501807098784,4.470716867283977,15.64750952933179,1.2434497875801753E-14,0.06471634956611322,0.009245192795159032,-1.9164189879189975,36.55428908295149,5.222041297564499,2.5191589693772407,31.29501807098783,15.647509035493922,25.506350788993284,31.29501807098784,4.470716867283977,15.64750952933179,1.2434497875801753E-14,0.06471634956611322,0.009245192795159032,-1.9164189879189975,36.55428908295149,5.222041297564499,2.5191589693772407,31.29501807098783,15.647509035493922,25.506350788993284,31.29501807098784,4.470716867283977,15.64750952933179,1.2434497875801753E-14,0.06471634956611322,0.009245192795159032,-1.9164189879189975,36.55428908295149,5.222041297564499,2.5191589693772407,31.29501807098783,15.647509035493922,25.506350788993284,31.29501807098784,4.470716867283977,15.64750952933179,1.2434497875801753E-14,0.06471634956611322,0.009245192795159032,-1.9164189879189975,36.55428908295149,5.222041297564499,2.5191589693772407,31.29501807098783,15.647509035493922,25.506350788993284,31.29501807098784,4.470716867283977,15.64750952933179,1.2434497875801753E-14,0.06471634956611322,0.009245192795159032,-1.9164189879189975,36.55428908295149,5.222041297564499,2.5191589693772407,42.78534791158913,21.17838824150885,35.24928013970933,42.479225462609534,6.06846078037279,21.178388243322935,-0.42857142857142705,0.10924160679780354,0.015605943828257649,-1.5499352915249525,26.713336675957038,3.816190953708148,2.2996140591685057,0,11.79,12.210048532255437,-0.30694803495317075,0.11327232833736127,5.083969898714539,7.09764800569594,6.0,20.0,19.0,19.0,5.0,1.0,1.0,0.0,0.0,1.0,15.304897999999996,3.4823959831178266,3.1873867852672646,2.70176856344685,2.11709387555064,1.5725995505132415,1.1971988201086623,0.9116974423873802,0.08392307051869143,1.8918332344505067,1.671922331183141,1.3642766621732059,1.0243869095776408,0.7309867749251747,0.54947175205336,0.34980186239799904,0.08392307051869094,3.5097132200990817,3.2201305961236564,2.748725211567175,2.185432382970474,1.6667372827909903,1.3150414774073036,1.0397837556300344,0.27091390189293757,1.831505688715136,1.6016918504961772,1.2734072449592475,0.9074453721363509,0.591417309640718,0.39516989899185445,0.18852924839867244,0.27091390189293696,3.630452655060067,3.3644183603461215,2.952820654979248,2.476038033746057,2.053752125735317,1.7820797444992815,1.5415122821819915,0.9439184268026228,1.65465822158135,1.393214783069357,0.9928183109949699,0.5315643424903065,0.12526135314081377,0.13430908681030773,0.3695630555367643,0.9439184268026213,3.5298744419553976,3.244281325834009,2.7832429036211535,2.2353637362195364,1.734784457788119,1.39912344742129,1.130790710675512,0.3992772455089824,1.7931328344981468,1.5567727279553747,1.214327727965281,0.8302204368894749,0.49795793911269315,0.2908873680852683,0.07922127044591723,0.39927724550898147,3.68955159082591,3.434627323304247,3.049835198432325,2.609863662882581,2.2248524914151884,1.9809539117217785,1.7526353599114355,1.2076448229620889,1.5997747107506448,1.3278496112994898,0.9016375841293401,0.4042715413090732,0.039803444360820214,0.32847062336986854,0.5764536019989944,1.2076448229620869,3.5982858940215077,3.296234897130913,2.8436622792845516,2.280417167149723,1.7789056483319603,1.4538164657427037,1.2590051615418534,0.5384615384615387,1.8459774934559934,1.497050443821111,1.0921942674854417,0.7324529282052088,0.42239740742516846,0.21213193789332546,0.061107734313803425,0.5384615384615378,0,0,1,1,0,1,4,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.535533905932738,3.414213562373095,2.060660171779821,1.2071067811865475,0.6767766952966369,0.35355339059327373,0.17677669529663687,0.0,0.7907905579903911,0.5690355937288492,0.4121320343559642,0.30177669529663687,0.22559223176554563,0.17677669529663687,0.17677669529663687,0.0,5.112884175122364,3.0236033621142737,1.7844570503761732,1.0118016810571369,0.5386751345948129,0.24639963991337221,0.10206207261596577,0.0,0.7304120250174806,0.5039338936857123,0.3568914100752346,0.2529504202642842,0.17955837819827095,0.12319981995668611,0.10206207261596577,0.0,10.792794626501124,20.214857975236704,19.078431372549026,19.320000000000004,12.589881437125744,161.19778562874254,0.5139426012619582,0.9626122845350812,0.9084967320261441,0.9200000000000002,0.5995181636726544,7.676085029940121,2.678890000000001,34.06899999999998,16.625382301558535,26.723216980603148,33.25076460311708,4.750109229016725,16.625382474771918,3.3306690738754696E-16,4.7580986769649563E-17,-24.9467317967063,2000010.7099194438,285715.8157027777,10.156064165428724,54,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,5.0,1.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,4.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.614297052154195,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38455073696145126,0.3271527777777778,0.0,0.0,1.1882964852607711,0.2902777777777778,0.0,0.711703514739229,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2113973922902495,3.6324914965986395,5.174305555555556,0.0,1.9818055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9818055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38455073696145126,0.3271527777777778,0.0,0.0,0.212046485260771,0.2902777777777778,0.0,0.3271527777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2113973922902495,3.6324914965986395,1.1883333333333335,0.0,1.9818055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.6324914965986395,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38455073696145126,0.3271527777777778,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.38455073696145126,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2113973922902495,3.6324914965986395,1.3531944444444444,0.0,1.9818055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,1.8571428571428572,0.38455073696145126,3.6324914965986395,0.212046485260771,1.1883333333333335,5.159376802721089,0.31166666666666665,0.6324914965986395,1.6877777777777776,0.31166666666666665,0.6324914965986395,1.6877777777777776,3.5,0.5,0.0,0.0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,-0.0,0.0,0.71429,0.0,0.0,0.28571,0.0,0.0,4.0,0.57143,3.0,0.42857,1.0,0.14286,-2.0,-0.28571,0.0,0.0,5.38519,0.76931,6.60412,1.21893,0.17413,2.84933,0.40705,3.41421,0.56488,0.0807,-2.1E-4,-3.0E-5,-2.1E-4,-3.0E-5,0.0,6.0,0,0,0,0,0,0,0.7142857142857143,0.9182958340544896,2.1273877651912745,3.2368573034220742,3.4632805178108113,3.2321018048454135,3.249367046720876,19.28421251514428,44.67514306901676,67.97400337186356,72.72889087402703,67.87413790175368,68.2367079811384,0.2090686409165615,0.48434290157595244,0.7369361072666523,0.7884859367972995,0.7358534217230259,0.7397842036346255,3.474021588724271,2.264929657587486,1.1554601193566865,0.9290369049679494,1.1602156179333472,1.1429503760578847,0.2090686409165615,0.48434290157595244,0.7369361072666523,0.7884859367972995,0.7358534217230259,0.7397842036346255,6.732876570223358,15.748858261878658,19.355893024127106,17.095204418036012,16.86221672424394,17.069399626749487,27.64912501682698,18.817055263687443,14.58757905020519,16.8817925768892,17.497233967729745,12.788216981169489,7.0,6.0,6.0,7,2,7,2.23,1.0519000000000005,0.16666666666666669,3.838519496373775,0.0,0.0,5.6762400186093895,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.10799999999999998,0.1,0.16700000000000004,0.167,3.1599999999999997,5.0,4.0,3.0,2.0,1.0,0.0,0.0,0.0,0.0,28.0,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.0,0.0,0.0,0.0,3.5553480614894135,1.2142857142857142,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.6666666666666666,5.0,0.8333333333333334,0,3.0,6.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.0,0.0,0.0,0.0,0.0,0.08333333333333333,0.04444444444444447,0.03125,0.026666666666666672,0.027777777777777776,0.0,0.0,0.0,0.0,0.0,0.21347222222222223,16.625382301558535,26.723216980603148,33.25076460311708,4.750109229016725,16.625382474771918,3.3306690738754696E-16,4.7580986769649563E-17,-24.9467317967063,2000010.7099194438,285715.8157027777,10.156064165428724,0.0,126.99189238106678,3.807354922057604,3.1354942159291497,3.713572066704308,4.31748811353631,4.919980925828125,5.53338948872752,6.142037405587356,6.7580945044277305,7.368339686311381,7.98514393119862,62.8735403382505,2.5649493574615367,0.0,3.4965075614664802,0.0,4.574710978503383,0.0,5.720311776607412,0.0,6.900730664045173,7.275172319452771,98.109550448,4.671883354666666,12.83378877709787,1.8333983967282672,0.0,0.0,0.0,56.0,4.0,3.9569999999999994,22.0,1.2235999999999998,2.130702332583008,2.8717291356089594,3.6054646106995083,4.939731414980069,5.960982763107071,7.300732520368729,8.324651358668849,0.0,0.0,73.79591670469999,66.79834045445841,63.74485217332285,77.2616114042589,87.68144349576795,84.55329077054346,43.770816158073984,8.458378558094505,0.0,0.0,278.2003651555299,316.75027924991775,320.5922782068425,404.7643038274261,491.2507662233877,533.8705553474576,501.1212765972975,258.76133530945884,0.0,0.0,8.897867644400002,15.148620582645691,20.05013693419961,25.219144878572894,34.36249704078625,41.340214701681624,50.3580527587335,55.92887046576775,0.0,0.0,2.1102440621629994,2.6772099500086153,2.864193186567167,3.640788101301657,4.567018768193715,5.156846638629728,5.438541601856355,3.7012474224329313,0.0,0.0,175.6104774602042,330.14110930084735,473.20522799470467,590.1880373523511,822.8989910302415,1002.0163618461147,1245.820203797787,1539.3749831655177,0.0,0.0,2.8102124999999996,3.7742141460269565,4.499008404556844,5.931093977307969,8.18428630613481,10.519462988176262,12.526423052831573,8.324651358668849,0.0,0.0,0.4375957500000001,0.5664009182804983,0.6132783866361005,0.7799296943173573,0.9843058838546038,1.118169342521364,1.1986034943033135,0.85244429912769,0.0,0.0,370.27884392699264,167.58434622874307,11.488022838682054,182.0876919497686,-82.41099191105648,-12.240105819456057,188.19115197722402,249.99533813979957,23.72812865813811,0.6703498852247735,0.30339337259586063,0.02079782552439989,0.3296501147752265,-0.14919620679092557,-0.022159390593833785,204.5296423284049,92.56798479354259,6.3455993794759245,100.57914762808852,-45.52107412007807,-6.761024850257929,0.12512402603272826,0.22676274970394536,2.4884317694165197,5.676580612809065,552.3665358767613,0.0,1.0,0.0,393.13937761013085,19.82774262517372,7.325695260204131,529.3948196359745,23.0085814346729,8.089590956168642,577.678469041192,24.034942667732576,8.328409297991456,2.6941318319847274,2.6941318319847274,653.8070862212253,632.9279866438959,37.566880418439496,1.032988112420247,17.403816312102073,16.848031553166354,3.9982115075267077,4.577988270034991,8.978772981344148,0.9612922645770607,4.149594423819005,4.863396753340162,3.1271754723319924,17.918651832029486,8.41170217869339,1.0273709209091673,4.826716516806418,8.261226127375325,8.170984201158602,0.5102661596715666,2.2112616031454575,2.6034534248523666,3.2249919254117483,1.0741681413557966,1.2502116729865005,0.17317317064593182,1.9118828626696391,3.1784949506621926E-12,1.0191959193190454E-45,6.303325454795475E-101,7.518958560360802E-178,1.7299022203591014E-276,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.34825741309598535,4.863167147000535,0.20638140718208706,4.933814538361117,0.06229911568004175,0.08480432604672151,0.5361415964207172,0.23720137883185655,2.8061174785547927,0.022128906778435983,0.06551717969958681,0.14652740536288797,0.10953253940464204,0.6632796870146169,0.10449929085295138,0.014045994605194753,0.013465547327429835,2.2386399828060023E-14,7.178280194609072E-48,4.4394836571328155E-103,5.295663993041235E-180,1.2183842783937597E-278,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.124191338613855,4.863182968845742,0.7031643712056236,5.921299815695949,0.6252197447703275,0.26751890352273405,1.402967632421333,1.0662562587237425,3.5984831852155503,0.08507080423288021,0.26344737689855713,0.515878138622636,0.45975006980909056,0.7470218130439491,0.3376147224936513,0.04566323227288214,0.14032138514337925,2.3328354621337675E-13,7.480321411094751E-47,4.6262842567215185E-102,5.5184901785889685E-179,1.2696503560079284E-277,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.916879295914329,4.863371714063009,2.9131973940960503,16.535416203101352,7.4967786181924545,0.9662420176128403,4.560876677114582,7.483867487090599,7.735459315961361,0.467400449731551,1.9949746889661422,2.4062882569659374,2.9331895326423236,1.0489682202377217,1.1798070490005956,0.16312586032915685,1.703453209974346,2.8319817768712005E-12,9.080852149762578E-46,5.616149498035284E-101,6.699256709391755E-178,1.5413117339718782E-276,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6568456531200724,4.863203048158569,1.073708190536772,7.092955687861223,1.350543648975422,0.3958219227346257,2.000680437654072,1.8755317362553663,4.2323006329042165,0.13917463834021063,0.4705996249948783,0.8086669510696103,0.7849978705539699,0.8045464503361786,0.49786351951785185,0.06762401761798752,0.30479679920490876,5.067230352690295E-13,1.6248257675021975E-46,1.0048907600363082E-101,1.1986898085127726E-178,2.7578502323446344E-277,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.01123379624348,4.863501932818481,3.9593719216992436,23.708136213979596,12.257713141688237,1.257593305709714,5.814605532372284,11.464318487500623,9.905131275450138,0.6837190128858107,3.1085017646987816,3.3865528586019247,4.420169280120669,1.1675239096953196,1.5111891175836245,0.21072089081811368,2.788301473445097,4.6355361655859944E-12,1.4864014626912707E-45,9.192807779378664E-101,1.0965694416734406E-177,2.5228998094621737E-276,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2919100976502085,3.6724362764751253,1.5548616264619455,8.080118132284476,2.4526851803600613,0.4403103329823911,3.1390095867387506,2.7328341969488568,5.142708868064456,0.18289838127767402,0.7258792259385791,1.1684952256584062,1.1678685092264793,1.348609304032283,1.0842764111378609,0.09858243991476638,0.5543329010107237,9.215754590677364E-13,2.955065091516759E-46,1.8275914040531258E-101,2.1800530737140787E-178,5.015692828260116E-277,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.136304387823017,0.7978138709106333,0.39424315000000004,0.8568677603663349,0.095794818663128,0.5175152600124159,0.5737325089537043,0.47617863102456265,8.32836140873365,8.821414402441288,19.394376567042226,0.7853016405495024,1.5674263999906828,6.418894018933441,0.2983286801905285,0.08499260608825837,0.9436475811071335,0.04385757680471137,0.41868836933420694,0.08022579396687152,0.022131144907273137,6.802215305212228,2.485854443825042,9.450825505519441,0.9154713716607003,0.5210453082083516,6.703825881406379,0.49670823498314953,0.20781688421782177,0.9049012230733651,0.06704707092609792,0.4566866515212015,0.22239239134174787,0.132313222900736,7.40835100060735,4.826238085959918,12.926587207707168,0.8573518346100477,0.8113922657636854,7.118543303732437,0.7854480495882241,0.38658697785624224,0.858630486242799,0.09473983818891493,0.5149422734263418,0.5560856461068396,0.4578635079481763,8.290578331176903,8.64682608410806,19.098907291025483,0.7879457293641985,1.5288914274813579,6.830831847749372,0.5851340601304171,0.2625647203555518,0.8896014326792124,0.07620391041728397,0.47415584413944767,0.30862053956389096,0.21120993004607322,7.6785306282353405,5.944123387910512,14.672112698274274,0.8344021490188186,0.9939863137494118,7.19190960791593,0.8365279481392273,0.4182125808749072,0.8514511068088146,0.09903665175876022,0.5256120616564884,0.6307623387340854,0.5358407973620867,8.446650136930065,9.373826978223565,20.336541607291103,0.7771766602132221,1.6922151977526605,7.178386255934324,0.784273605689229,0.38635828699999986,0.8597880766515972,0.09393602837221367,0.5236362934475932,0.5544246783273346,0.4573219572359896,8.349018148623554,8.706258496072149,19.23040382019093,0.7896821149773957,1.5353829290109176 +UMLCN0241,L,1-octene,CCCCCCC=C,Olefins,,C8H16,NREL (2014),IQT,PubChem,,40,0,-0.13760000000000083,0.01893376000000023,32.144099999999995,24.74868799999998,0,0,24,8,16,0,8,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1170.3699919999983,1203.5622549999996,1201.6206779999984,1038.3083809999985,843.5837800000002,646.8270510000002,450.07032200000015,253.31359300000003,67.647888,3885.4751248895254,4800.404174173606,5918.743752378349,5679.440656843274,4734.809800750015,3728.0114557948973,2721.2131108397707,1714.4147658846414,791.2692928691047,167.81955200000002,166.665724,297.88533600000005,383.2058119999999,333.75784000000004,270.8729400000002,207.98804000000013,145.10314,82.61740799999998,29.425006477583977,37.33900896000001,50.80061251364105,52.22949896607408,44.09719591637607,35.07566705698001,26.05413819758398,17.032609338188,8.680011883943003,3973.0372811079847,3337.5212560364007,6559.333793006543,9116.771878190077,8007.652027199978,6528.696872161381,5049.741717122784,3570.7865620841885,2060.0363027342432,44.25,50.0,71.25,82.0,71.75,59.5,47.5,35.0,20.0,48.76541633333326,52.32879369565216,28.610016142857106,18.878334199999973,17.574662083333337,16.585309000000006,15.002344066666671,12.062552047619048,5.637324,161.8947968703969,208.71322496406984,140.9224702947226,103.26255739715045,98.64187084895865,95.59003732807429,90.70710369465903,81.63879837545912,65.93910773909205,6.992481333333334,7.246335826086957,7.092508000000001,6.9673783999999985,6.953288333333334,6.945460000000005,6.932934666666671,6.909673333333333,6.884783999999999,1.2260419365659991,1.6234351721739133,1.2095383931819297,0.9496272539286197,0.9186915815911681,0.8993760783841028,0.8684712732527994,0.8110766351518095,0.7233343236619169,165.54322004616603,145.1096198276696,156.1746141192034,165.75948869436502,166.82608389999953,167.40248390157387,168.32472390409282,170.03745533734232,171.66969189452027,1.84375,2.1739130434782608,1.6964285714285714,1.490909090909091,1.4947916666666667,1.5256410256410255,1.5833333333333333,1.6666666666666667,1.6666666666666667,0.05350350229888343,-0.007612404667308346,-0.024941843429443143,0.001659594982562294,0.0011445296071696826,1.8668636357948827E-4,0.0017708109175597823,-0.0017634511871343556,-0.004526567820501835,645.6853813333338,-53.807115111110534,-282.48735433333303,-26.90355755555583,-2.7355895326763857E-13,-2.7355895326763857E-13,-2.4513724383723456E-13,-1.8829382497642655E-13,-40.35533633333347,1200.6795383425201,-100.05662819521007,-525.2972980248529,-50.02831409760489,1.4210854715202004E-13,1.4210854715202004E-13,1.4210854715202004E-13,8.526512829121202E-14,-75.04247114640752,0.12648533333333326,-0.010540444444441749,-0.05533733333333122,-0.005270222222222684,-7.381248390281314E-16,-7.381248390281314E-16,-7.24247051220317E-16,-7.173081573164097E-16,-0.007905333333333864,5.367596185861331,-0.4472996821551001,-2.348323331314326,-0.22364984107755767,-3.1363800445660672E-15,-2.6922908347160046E-15,-2.914335439641036E-15,-2.914335439641036E-15,-0.3354747616163356,29.156867671727976,-2.4297389726441017,-12.75612960638107,-1.2148694863219789,2.731148640577885E-14,2.731148640577885E-14,2.731148640577885E-14,2.731148640577885E-14,-1.8223042294829774,5.4895833333333375,-0.5421006944444434,-1.3463541666666659,-0.10112847222222189,-0.05208333333333327,-0.14973958333333326,0.002604166666666935,0.29036458333333354,-1.286458333333333,0.00222931259578681,-3.309741159699281E-4,-5.938534149867415E-4,3.0174454228405346E-5,2.3844366816035053E-5,4.786829835371494E-6,5.902703058532608E-5,-8.397386605401693E-5,-3.772139850418196E-4,26.903557555555576,-2.3394397874395882,-6.7258893888888815,-0.48915559191919694,-5.6991448597424705E-15,-7.014332135067656E-15,-8.171241461241152E-15,-8.966372617925073E-15,-3.362944694444456,50.028314097605005,-4.350288182400438,-12.50707852440126,-0.9096057108655434,2.960594732333751E-15,3.643808901333847E-15,4.736951571734001E-15,4.0602442043434294E-15,-6.2535392622006265,0.005270222222222219,-4.5828019323659777E-4,-0.0013175555555555052,-9.582222222223061E-5,-1.5377600813086072E-17,-1.8926277923798242E-17,-2.4141568374010564E-17,-3.4157531300781415E-17,-6.58777777777822E-4,0.22364984107755545,-0.019447812267613048,-0.05591246026938871,-0.004066360746864685,-6.534125092845973E-17,-6.90330983260514E-17,-9.71445146547012E-17,-1.3877787807814457E-16,-0.027956230134694632,1.214869486321999,-0.10564082489756964,-0.30371737158050166,-0.02208853611494507,5.689893001203927E-16,7.002945232250987E-16,9.103828801926283E-16,1.3005469717037547E-15,-0.1518586857902481,0.22873263888888906,-0.023569595410627975,-0.03205605158730157,-0.001838699494949489,-0.0010850694444444432,-0.003839476495726494,8.68055555555645E-5,0.01382688492063493,-0.10720486111111109,-0.1484646507607044,-0.26638409351343023,0.013535317696330346,0.010695838197432991,0.002147222352046164,0.02647768226711749,-0.03766805346756646,-0.16920641176778814,-0.08695652173912943,-0.24999999999999953,-0.018181818181818354,-2.118361056144264E-16,-2.6072136075621713E-16,-3.037234553225022E-16,-3.332783257162033E-16,-0.12500000000000033,-0.08695652173913049,-0.25000000000000017,-0.01818181818181814,5.917838299642968E-17,7.283493291868267E-17,9.468541279428746E-17,8.11589252522464E-17,-0.12500000000000003,-0.08695652173910826,-0.24999999999999062,-0.018181818181819787,-2.9178277811978146E-15,-3.591172653781925E-15,-4.580749607144865E-15,-6.481231693941494E-15,-0.12500000000000847,-0.08695652173912834,-0.2499999999999993,-0.018181818181818365,-2.9215871835026804E-16,-3.086659842611409E-16,-4.3435986444995603E-16,-6.205140920713658E-16,-0.1250000000000009,-0.08695652173913414,-0.25000000000000155,-0.01818181818181788,4.683542607058147E-16,5.764360131763873E-16,7.493668171293034E-16,1.0705240244704335E-15,-0.12499999999999854,-0.10304430327530704,-0.1401463811330982,-0.008038640676211802,-0.00474383301707779,-0.01678587067581373,3.795066413662627E-4,0.06044998644619138,-0.4686907020872861,1.462550880113175,1.2471551409128503,0.7928710742529259,0.8231206677238913,0.8829294173823251,0.9488834314692274,1.2013630689622834,1.463148388651693,1.4999999999999998,1.3861607142857142,0.9409090909090908,0.8984374999999999,0.8846153846153844,0.8624999999999997,0.8214285714285707,0.8984374999999993,1.5000000000000007,1.3861607142857144,0.9409090909090911,0.8984375000000002,0.884615384615385,0.8625000000000006,0.821428571428572,0.8984375000000007,1.499999999999999,1.386160714285713,0.9409090909090901,0.8984374999999992,0.8846153846153839,0.8624999999999994,0.8214285714285711,0.8984374999999996,1.5000000000000009,1.3861607142857155,0.9409090909090917,0.8984375000000006,0.8846153846153852,0.8625000000000007,0.8214285714285721,0.8984375000000004,1.5,1.3861607142857142,0.9409090909090909,0.8984375000000001,0.8846153846153845,0.8624999999999997,0.8214285714285711,0.8984374999999997,1.4573055028462987,0.8853347790729188,0.7332068311195441,0.7964895635673619,0.9265800613049182,1.099810246679316,1.3467064245052849,2.4440227703984805,41.63994127301375,20.819970636506877,33.741585931508794,41.63994127301376,5.20499265912672,20.81997063960361,1.0658141036401503E-14,0.054773880306123846,0.006846735038265481,-2.323633468324108,32.52995445393228,4.066244306741535,2.785729072287388,41.63994127301375,20.819970636506877,33.741585931508794,41.63994127301376,5.20499265912672,20.81997063960361,1.0658141036401503E-14,0.054773880306123846,0.006846735038265481,-2.323633468324108,32.52995445393228,4.066244306741535,2.785729072287388,41.63994127301375,20.819970636506877,33.741585931508794,41.63994127301376,5.20499265912672,20.81997063960361,1.0658141036401503E-14,0.054773880306123846,0.006846735038265481,-2.323633468324108,32.52995445393228,4.066244306741535,2.785729072287388,41.63994127301375,20.819970636506877,33.741585931508794,41.63994127301376,5.20499265912672,20.81997063960361,1.0658141036401503E-14,0.054773880306123846,0.006846735038265481,-2.323633468324108,32.52995445393228,4.066244306741535,2.785729072287388,41.63994127301375,20.819970636506877,33.741585931508794,41.63994127301376,5.20499265912672,20.81997063960361,1.0658141036401503E-14,0.054773880306123846,0.006846735038265481,-2.323633468324108,32.52995445393228,4.066244306741535,2.785729072287388,41.63994127301375,20.819970636506877,33.741585931508794,41.63994127301376,5.20499265912672,20.81997063960361,1.0658141036401503E-14,0.054773880306123846,0.006846735038265481,-2.323633468324108,32.52995445393228,4.066244306741535,2.785729072287388,55.64149357823361,27.591580122450143,45.54212847278684,55.350726845860926,6.918840855732616,27.59158012245343,-0.45833333333332504,0.09606852077546202,0.012008565096932752,-1.8741548672325798,32.169586516227405,4.021198314528426,2.776817190465967,0,11.790000000000004,12.21005851988012,-0.3069480361565683,0.11328510814281581,5.104114357257955,7.254850364031673,7.0,23.0,22.0,22.0,6.0,1.0,1.0,0.0,0.0,1.0,17.491311999999997,3.499160108608553,3.261892623520145,2.8661428239444375,2.3670203563713637,1.8547781015795186,1.4287288933138673,1.1547294577256955,0.9115832841897176,1.9068594300523232,1.724640433345511,1.4629821887256689,1.1632031693707074,0.8761969776082008,0.6581493336655414,0.5308202453916179,0.3497993069442066,3.5265063729659247,3.292994308571578,2.907712768665474,2.4250888605097067,1.9340777944613559,1.5310204250715893,1.2758520410797878,1.0397039629626708,1.8470316125941364,1.6571088858749272,1.3795366661748856,1.0573893797878993,0.7482873462287157,0.5128536641593952,0.37491232723081597,0.18852543709380673,3.6470953650353417,3.4302251696354453,3.089398352015932,2.6751896982755627,2.2671719126734216,1.9466753743945748,1.7531402109187098,1.5414919861137883,1.671219379828108,1.4576671247118618,1.1252503703208778,0.7236351148192224,0.32998201683443473,0.022663773049871255,0.16179804474583512,0.36957908017673613,3.5466736407964556,3.3159400819278635,2.938314837075356,2.467677392418555,1.9918065471636683,1.604668603285218,1.362086192556184,1.1307287254589273,1.8089421693529455,1.614010833657246,1.3255735195749812,0.9880095768704092,0.66327432703288,0.415218402170177,0.2694329744121177,0.0792162535396082,3.7059674355754915,3.497172464883708,3.176520053274512,2.792327443376655,2.418091499769574,2.128111279377768,1.9553087832332268,1.7526237400862272,1.6164970541647123,1.395406538907861,1.0436493453681888,0.6129003350869354,0.18558654122102017,0.15310564859474884,0.3594885946435549,0.5764814556299533,3.625770180479409,3.36144678299004,3.0015363479330226,2.521849709687689,2.041216796793765,1.6629320244690478,1.4309616678100483,1.2754758333066156,1.8578513695008767,1.5720281240580039,1.2102771116064193,0.8692817389236877,0.5710483366286216,0.32768036674122697,0.17591631031735283,0.07668711775483908,0,0,1,1,0,1,5,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.242640687119286,3.914213562373095,2.414213562373095,1.4571067811865475,0.8535533905932737,0.47855339059327373,0.25,0.125,0.7803300858899107,0.5591733660532993,0.40236892706218247,0.29142135623730947,0.21338834764831843,0.15951779686442458,0.125,0.125,5.819990956308912,3.5236033621142737,2.138010440969447,1.2618016810571369,0.7154518298914497,0.38090084052856843,0.174230856264669,0.07216878364870323,0.727498869538614,0.5033719088734677,0.35633507349490784,0.2523603362114274,0.17886295747286243,0.12696694684285614,0.0871154281323345,0.07216878364870323,12.334622430286998,23.102694828841948,21.80392156862746,22.080000000000002,14.388435928143707,184.2260407185629,0.5139426012619582,0.9626122845350812,0.9084967320261441,0.92,0.5995181636726544,7.676085029940121,3.068990000000002,38.686,21.836353346989743,34.97342453153384,43.67270669397949,5.4590883367474365,21.83635334804216,2.7755575615628914E-16,3.469446951953614E-17,-28.656407870242358,32.7162929366335,4.089536617079188,2.7902985670066807,74,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,6.0,1.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,5.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.654015022675737,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38064448696145126,0.32205073696145126,0.0,0.0,1.3973047760770976,0.2902777777777778,0.0,0.7026952239229025,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.230069444444444,3.6583205782312924,6.615915532879819,0.0,1.9956944444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9956944444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38064448696145126,0.32205073696145126,0.0,0.0,0.20900829081632655,0.2902777777777778,0.0,0.32205073696145126,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.230069444444444,3.6583205782312924,1.1944444444444444,0.0,1.9956944444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.6583205782312924,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38064448696145126,0.32205073696145126,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.38064448696145126,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.230069444444444,3.6583205782312924,1.3827777777777777,0.0,1.9956944444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.5,1.8125,0.38064448696145126,3.6583205782312924,0.20900829081632655,1.1944444444444444,5.874401675170068,0.3055555555555556,0.6583205782312925,1.7767800453514742,0.3055555555555556,0.6583205782312925,1.7767800453514742,4.0,0.5,0.0,0.0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,-0.0,0.0,0.71429,0.0,0.0,0.25,0.0,0.0,4.5,0.5625,3.5,0.4375,1.0,0.125,-2.5,-0.3125,0.0,0.0,6.67662,0.83458,7.95768,1.28106,0.16013,3.34933,0.41867,3.91421,0.56488,0.07061,-2.1E-4,-3.0E-5,-2.1E-4,-3.0E-5,0.0,7.0,0,0,0,0,0,0,0.75,0.9182958340544896,2.0491040074712537,3.1368421881310122,3.5220552088742005,3.351227480952956,3.2346970025308774,22.03910001730775,49.17849617931009,75.28421251514429,84.52932501298082,80.42945954287094,77.63272806074106,0.20028426271971758,0.44691837875423307,0.6841587445126599,0.7681753576654609,0.7309170970157007,0.7055012995247181,3.6666666666666674,2.5358584932499033,1.4481203125901447,1.0629072918469564,1.233735019768201,1.3502654981902795,0.20028426271971758,0.44691837875423307,0.6841587445126599,0.7681753576654609,0.7309170970157007,0.7055012995247181,6.732876570223358,15.200649999116305,19.044943507847346,18.17141227276561,16.51296263044595,17.881805479262187,31.599000019230836,22.278327097607068,17.200000524829743,17.910526564393034,20.46064886448033,18.691500370350354,8.0,7.0,7.2,8,2,8,2.34,1.192800000000001,0.14285714285714285,4.008290259196815,0.0,0.0,7.473424936522629,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.10799999999999998,0.1,0.16700000000000004,0.167,3.6590000000000003,6.0,5.0,4.0,3.0,2.0,1.0,0.0,0.0,0.0,36.0,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.0,0.0,0.0,3.784189633918261,1.1944444444444444,0.42857142857142855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.7142857142857143,6.0,0.8571428571428571,0,4.0,7.0,0.75,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.0,0.0,0.0,0.0,0.07142857142857142,0.037037037037037056,0.025,0.020000000000000004,0.018518518518518517,0.020408163265306124,0.0,0.0,0.0,0.0,0.1923922902494331,21.836353346989743,34.97342453153384,43.67270669397949,5.4590883367474365,21.83635334804216,2.7755575615628914E-16,3.469446951953614E-17,-28.656407870242358,32.7162929366335,4.089536617079188,2.7902985670066807,0.0,144.28787700693348,4.0,3.295836866004329,3.8918202981106265,4.51085950651685,5.1298987149230735,5.75890177387728,6.385194398997726,7.016609683894219,7.645397699428633,8.27715777243181,66.91167671418455,2.70805020110221,0.0,3.6635616461296463,0.0,4.762173934797756,0.0,5.926926025970411,0.0,7.126890808898808,7.492760300922379,112.12520051199999,4.671883354666666,14.83110795092203,1.8538884938652538,0.0,0.0,0.0,84.0,5.0,4.526,26.0,1.2269999999999996,2.1350215016432985,2.8727167300141287,3.6092293975735834,4.944776655603883,5.968097745948686,7.284032002223545,8.421556588217209,9.604031181792946,0.0,74.89491166369564,68.33896334959174,65.97266073026796,82.12742441326212,97.47332984438152,106.1109762090883,99.2980903942004,50.71865096415462,9.758310338697266,0.0,281.0620544572001,321.5844338294527,326.6934521515347,419.4600867832983,520.3934691432239,599.0538660527393,635.0148622931897,579.7744956320598,298.52925076153707,0.0,8.925452503826087,15.189549407316147,20.06936237353322,25.28027083672481,34.46625387818168,41.548999836260265,50.452782242024256,58.09733610011684,64.52433774975336,0.0,2.1274402424921735,2.7087669535312706,2.900800531969691,3.7335513106786613,4.749323681342545,5.566893760378829,6.17766754798611,6.2872322156142,4.270076201997335,0.0,175.9203541190465,330.0647106455949,472.4996585897982,588.2662476814936,818.7466217039163,991.5524744381157,1229.291270277165,1436.4274377995182,1775.9548961048247,0.0,2.737826086956521,3.720872609425721,4.419903102085316,5.800430069691956,7.8633842838276085,9.954476016168904,12.63467659003145,14.482938255074634,9.604031181792946,0.0,0.44099315217391305,0.5727180434632557,0.6204745067021656,0.7983420168393823,1.0204199302413814,1.199456700142129,1.3413109639855763,1.3854448961832029,0.9834527930155975,0.0,415.71753107157645,210.20610870977367,13.192326560377865,173.72235066157546,-87.84209613281172,-12.069121617527891,241.99518041000098,298.0482048425854,25.261448177905756,0.705275540313334,0.35662009854456544,0.022381123112314653,0.2947244596866659,-0.14902638734679158,-0.02047557688502618,245.04049234922795,123.90386385747507,7.776083407534248,102.3988818283642,-51.77763475571671,-7.1140216188586685,0.11199490532106898,0.2029687941530574,2.3115604024042615,5.272436358034617,589.439881733152,0.0,1.0,0.0,455.22094675628085,21.33590745096821,7.69261644920567,610.8504609456998,24.71538915222052,8.48486562238932,686.8263951029855,26.207372914944862,8.822987399508508,2.7774737893463204,2.7774737893463204,964.4923415479028,940.4156404498056,44.093715024715266,1.0256021912678752,21.873691999127058,21.32765723919354,4.377916779473594,5.6454556919422,10.189675846034381,0.8049341633445428,4.707395530691128,5.811914061050125,3.423507978792204,22.89152959614314,10.386551827376097,1.0273865614765239,5.621029591450709,8.40007989277714,12.5982610024337,0.6154555165744956,2.0642466970507174,6.9574499279369,4.169728739450737,4.577268803485873,1.82929108719599,3.1548213310644893,1.076405436226517,2.577035343727066,0.05477368364529154,1.314398963395584E-4,6.083568373646022E-29,5.430820940108188E-75,9.35079377646036E-143,3.105327284552101E-232,0.0,0.0,0.0,0.0,0.0,0.0,0.39506979472462844,5.811642349357162,0.2284983392899941,5.947207137586653,0.07636545981427437,0.08481983862160163,0.6587006635445136,0.23817969274097253,3.885512489306017,0.02286979135489214,0.06320207309284513,0.4367182086226468,0.14002180476930987,1.5467268921575978,0.08535209484746425,0.14481192630294837,0.06541034191940828,0.08140484791131236,3.8577567149865647E-4,9.257419371401228E-7,4.284706948029214E-31,3.824971593380509E-77,6.585840513793046E-145,2.187107397307156E-234,0.0,0.0,0.0,0.0,0.0,0.0,1.275307412957744,5.811661063510871,0.7763740279784995,7.202504769786601,0.7705667124802688,0.26753442465031374,1.6626308529574176,1.0764482525327166,5.097705605413302,0.09279117812049875,0.2487099310984351,1.4896725218128402,0.5903261701054633,2.0788050784194256,0.32044456091831675,0.49269765173497754,0.22749861244105646,0.35165305639419464,0.004020078840260678,9.646944735785306E-6,4.4649949924885685E-30,3.9859153071624614E-76,6.862953586344966E-144,2.279134534860743E-233,0.0,0.0,0.0,0.0,0.0,0.0,4.443398039181899,5.811884426831478,3.1910160532364764,21.07472044943386,9.256442422672501,0.9662576441277398,5.3140600893792085,7.607583936877257,11.864547122556138,0.561122291772184,1.8628725582693382,6.45988484805094,3.791345113771004,4.361133279846182,1.6797641103451317,2.8762642818984783,0.9988491700108204,2.3396466222083996,0.048802366103324446,1.1711058125479143E-4,5.420349895137064E-29,4.838763683620991E-75,8.331388907413364E-143,2.766790703644293E-232,0.0,0.0,0.0,0.0,0.0,0.0,1.8795629426146285,5.811684821431276,1.1834405285008327,8.71846225913835,1.665869565179178,0.39583745495124,2.3544658628802395,1.8976692341820116,6.097973860601501,0.15594425480785787,0.44225313940145133,2.295056213571886,1.0099731659862161,2.469749659671405,0.5177207333546241,0.8106460065083382,0.35191399995708483,0.6081824783894916,0.008732148088580109,2.0954453054818206E-5,9.698565765908653E-30,8.657940671577606E-76,1.4907252262884978E-143,4.950584762779471E-233,0.0,0.0,0.0,0.0,0.0,0.0,5.684859415199846,5.81203854400073,4.326213258035904,30.503408315734614,15.137332631770176,1.2576090053657583,6.761209323877355,11.666822495630424,15.542327992703148,0.8371277149111924,2.899397295525121,8.911401841508399,5.720234662114281,5.412274357664694,2.4314778095184413,4.293247864796832,1.3813465306983872,3.5520449718471045,0.07988226942634082,1.916927358830504E-4,8.872312729638323E-29,7.92034194405388E-75,1.3637253920660766E-142,4.52882800097677E-232,0.0,0.0,0.0,0.0,0.0,0.0,2.6608940787608777,4.505194831958596,1.7622557341254288,10.374860099273812,3.1764497995573584,0.46227828057866105,3.672143472499027,2.9113822058237924,7.35680465096016,0.22403873318107156,0.7084533771801959,3.4939362441548076,1.4912118582937397,3.931910824020637,0.8437667284964837,1.6448870069384287,0.5565519498825284,1.0514418621672106,0.016673083800288434,4.001024192975855E-5,1.8518353194451623E-29,1.6531393111387587E-75,2.8463771780901926E-143,9.452601484486775E-233,0.0,0.0,0.0,0.0,0.0,0.0,9.080188487989535,0.8040729519105803,0.41378325625000006,0.8817390830886692,0.0780801575090444,0.5206069470616204,0.595896239754838,0.49998919460940716,10.298044696150114,11.391075845670398,24.710207526703535,0.8226086246330037,1.6164923814258656,8.355894870611639,0.30391857305059977,0.08920514485634838,0.955066535299988,0.03473744740346474,0.4410443664395798,0.08517114302452085,0.023237778003945688,8.749018588518588,3.3120115583079586,12.28756765103999,0.9325998029499819,0.5494532874680463,8.643324565512028,0.5027998781012046,0.21811703527475246,0.923013848478674,0.05369360446703396,0.4718071245121109,0.23327913161156405,0.13892933753027126,9.364241478887985,6.340788085823458,16.65293621719604,0.8845207727180109,0.8440155936539462,9.062233571511095,0.7917139859243522,0.40574761672131165,0.8832848752015595,0.07716739849334002,0.5185525712705517,0.5777752804201255,0.4807582526067574,10.259695174156759,11.17291279900475,24.34372420687842,0.8249273128023392,1.5770861042974347,8.771545273189563,0.5913479993778985,0.2755783707721767,0.9100556185430978,0.061352880545800105,0.48587395499562597,0.32265686959893886,0.221771150439966,9.638471643339638,7.767246622521225,18.835153126639337,0.8650834278146466,1.0303019750345308,9.136408010119903,0.8427581023298605,0.43894069819383186,0.8769739239749152,0.0808935939751416,0.5270665748645543,0.6543960933182016,0.5626346737472822,10.418106810643595,12.080044017510911,25.87789846106219,0.8154608859623729,1.744097341930038,9.139061334487002,0.7909398518664705,0.40575462590485056,0.8842180001628881,0.07652462637791876,0.5273813827440658,0.5766278934526133,0.48077486269537917,10.335755812258324,11.257591734701311,24.526323687264615,0.8263270002443323,1.5847841388920583 +UMLCN0242,L,1-hexadecene,CCCCCCCCCCCCCCC=C,Olefins,,C16H32,NREL (2014),IQT,PubChem,,75.9,0,-2.441600000000003,5.961410560000014,55.436899999999994,49.49737599999996,0,0,48,16,32,0,16,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2340.7399839999966,2551.3886310000007,2751.288974000002,2612.3622129999976,2417.637611999997,2220.880882999996,2024.1241539999944,1827.367424999995,1630.6106959999954,7770.950249779037,10024.325250096545,13227.12064567705,13733.82741648433,12789.196560391061,11782.398215435931,10775.5998704808,9768.801525525665,8762.003180570518,335.639104,340.87196400000016,639.7214000000013,886.2850120000028,836.8370400000024,773.9521400000018,711.0672400000012,648.1823400000007,585.2974400000002,58.850012955168054,77.46691791999997,112.30213367243282,124.40172984124162,116.26942679154365,107.2478979321477,98.22636907275174,89.2048402133558,80.18331135395987,7946.074562215969,6801.8368681628035,13952.951384733326,20948.413118498793,19839.29326750871,18360.338112470134,16881.382957431553,15402.42780239296,13923.472647354363,78.25,92.0,145.25,180.0,169.75,157.5,145.25,133.0,120.75,48.76541633333326,54.284864489361716,30.56987748888891,20.56978120472439,20.146980099999972,20.007935882882848,19.844354450980337,19.64911209677414,19.41203209523804,161.89479687039662,213.28351595950096,146.96800717418944,108.14037335814433,106.57663800325885,106.14773167059397,105.64313598510589,105.04087661855554,104.30956167345855,6.992481333333333,7.252594978723407,7.1080155555555695,6.9786221417323056,6.97364200000002,6.972541801801818,6.971247450980404,6.969702580645169,6.967826666666669,1.2260419365660011,1.6482322961702123,1.2478014852492536,0.9795411798522962,0.9689118899295305,0.9661972786679972,0.9630036183603111,0.9591918302511375,0.9545632304042841,165.54322004616603,144.71993336516604,155.03279316370362,164.94813479132907,165.32744389590593,165.4084514636949,165.50375448462307,165.61750325153722,165.7556267542186,1.6302083333333333,1.9574468085106382,1.613888888888889,1.4173228346456692,1.4145833333333333,1.4189189189189189,1.4240196078431373,1.4301075268817205,1.4375,0.08728393515738632,-0.007612276215576264,-0.04183013376826661,0.001676797058789356,0.0012150833103619762,9.059851183519348E-5,2.891447212472007E-6,3.6609759289634586E-8,-5.2265911594344405E-9,1291.3707626666678,-53.80711511111328,-605.3300450000024,-26.903557555556116,-2.4513724383723456E-13,-2.4513724383723456E-13,-1.3145040611561853E-13,-1.7763568394002505E-14,2.0961010704922955E-13,2401.359076685042,-100.05662819521007,-1125.6370671961156,-50.02831409760705,-1.5631940186722204E-12,-1.1084466677857563E-12,-6.536993168992922E-13,-1.9895196601282805E-13,1.4210854715202004E-13,0.25297066666666634,-0.010540444444440949,-0.11857999999999669,-0.005270222222222398,-3.616898447411643E-16,-3.894454203567932E-16,-4.172009959724221E-16,-4.172009959724221E-16,-4.172009959724221E-16,10.735192371722643,-0.44729968215508215,-5.032121424244972,-0.22364984107755603,-1.7763568394002505E-15,-2.6645352591003757E-15,-3.552713678800501E-15,-3.552713678800501E-15,-3.552713678800501E-15,58.313735343455846,-2.4297389726448486,-27.334563442245766,-1.2148694863219442,1.127986593019159E-13,1.199040866595169E-13,1.199040866595169E-13,1.199040866595169E-13,1.199040866595169E-13,6.953125,-0.2822265625,-1.990234375,-0.0322265625,0.0390625,0.0146484375,-0.009765625,-0.0341796875,-0.05859375,0.0018184153157788817,-1.619633237356652E-4,-4.647792640918512E-4,1.3203126447160284E-5,1.0125694253016469E-5,8.162028093260674E-7,2.834752169090203E-8,3.9365332569499555E-10,-6.222132332660048E-11,26.90355755555558,-1.1448322364066656,-6.725889388888916,-0.2118390358705206,-2.042810365310288E-15,-2.2084436381732843E-15,-1.2887294717217503E-15,-1.910061117634678E-16,2.4953584172527326E-15,50.02831409760504,-2.1288644296853207,-12.507078524401285,-0.39392373305202405,-1.3026616822268503E-14,-9.986006016087895E-15,-6.408816832346002E-15,-2.1392684517508393E-15,1.691768418476429E-15,0.005270222222222215,-2.242647754136372E-4,-0.0013175555555555187,-4.149781277340471E-5,-3.0140820395097024E-18,-3.50851730051165E-18,-4.0902058428668835E-18,-4.486032214757227E-18,-4.966678523481216E-18,0.22364984107755506,-0.009517014513937917,-0.05591246026938857,-0.0017610223706894176,-1.4802973661668754E-17,-2.400482215405744E-17,-3.483052626275001E-17,-3.820122235269356E-17,-4.229421046191072E-17,1.2148694863219969,-0.05169657388606061,-0.3037173715805085,-0.009565901467101923,9.399888275159659E-16,1.0802169969325848E-15,1.1755302613678128E-15,1.2892912544034076E-15,1.427429603089487E-15,0.14485677083333334,-0.006004820478723404,-0.02211371527777778,-2.5375246062992124E-4,3.255208333333333E-4,1.319679054054054E-4,-9.574142156862745E-5,-3.6752352150537634E-4,-6.975446428571429E-4,-0.08906838956440018,-0.25559577070146505,0.0072607870889522235,0.005568416722600761,4.4885390166022845E-4,1.558913491594737E-5,2.164815277781479E-7,-3.42173335137959E-8,-0.04255319148936339,-0.2500000000000008,-0.007874015748031654,-7.593086383062555E-17,-8.208742035743303E-17,-4.7901823729465394E-17,-7.099660012213703E-18,9.275198687384902E-17,-0.0425531914893617,-0.2500000000000005,-0.007874015748031813,-2.6038488518429034E-16,-1.996070864312005E-16,-1.281037937805065E-16,-4.2761154165162055E-17,3.381621885510264E-17,-0.04255319148934764,-0.24999999999999334,-0.00787401574803177,-5.719079599339551E-16,-6.65724736561918E-16,-7.760974149477568E-16,-8.512036163943139E-16,-9.424040038651332E-16,-0.04255319148935904,-0.24999999999999914,-0.00787401574803153,-6.61881698209458E-17,-1.0733216727720941E-16,-1.557368701669313E-16,-1.7080818018308595E-16,-1.891090566312737E-16,-0.042553191489376675,-0.2500000000000076,-0.007874015748031154,7.737364697188758E-16,8.891629998897487E-16,9.6761855870355E-16,1.0612590643845388E-15,1.1749653927114537E-15,-0.041453502271097294,-0.15265917602996254,-0.0017517473237193663,0.002247191011235955,9.110233829334953E-4,-6.609385327164573E-4,-0.0025371511417180137,-0.004815409309791332,1.4770429442381598,1.3353459545241773,0.8597180544444292,0.8668462468914055,0.8805133469054817,0.8917842722901663,0.9047564693968765,0.9204903407190703,1.4999999999999998,1.4442708333333332,0.9714566929133858,0.9546875,0.9527027027027026,0.9503676470588234,0.9475806451612901,0.9441964285714285,1.499999999999999,1.4442708333333323,0.9714566929133851,0.9546874999999992,0.952702702702702,0.9503676470588227,0.9475806451612897,0.9441964285714278,1.4999999999999996,1.4442708333333345,0.9714566929133865,0.9546875000000004,0.9527027027027029,0.9503676470588233,0.94758064516129,0.9441964285714283,1.5000000000000036,1.4442708333333343,0.9714566929133867,0.9546875000000009,0.9527027027027039,0.9503676470588249,0.9475806451612918,0.9441964285714304,1.500000000000002,1.4442708333333345,0.9714566929133865,0.9546875000000009,0.9527027027027036,0.9503676470588245,0.9475806451612914,0.9441964285714297,1.4382022471910112,0.9669912609238451,0.725188003184995,0.7393258426966292,0.7688227553396092,0.803525005507821,0.844943820224719,0.8952380952380953,174.7266043393378,87.3633021696688,139.28863114678435,174.7266043393376,10.9204127712086,87.3633021696688,-1.9895196601282805E-13,0.021270509874168286,0.001329406867135518,-6.160693885664358,114.83283411189112,7.177052131993195,7.589563927071389,174.7266043393378,87.3633021696688,139.28863114678435,174.7266043393376,10.9204127712086,87.3633021696688,-1.9895196601282805E-13,0.021270509874168286,0.001329406867135518,-6.160693885664358,114.83283411189112,7.177052131993195,7.589563927071389,174.7266043393378,87.3633021696688,139.28863114678435,174.7266043393376,10.9204127712086,87.3633021696688,-1.9895196601282805E-13,0.021270509874168286,0.001329406867135518,-6.160693885664358,114.83283411189112,7.177052131993195,7.589563927071389,174.7266043393378,87.3633021696688,139.28863114678435,174.7266043393376,10.9204127712086,87.3633021696688,-1.9895196601282805E-13,0.021270509874168286,0.001329406867135518,-6.160693885664358,114.83283411189112,7.177052131993195,7.589563927071389,174.7266043393378,87.3633021696688,139.28863114678435,174.7266043393376,10.9204127712086,87.3633021696688,-1.9895196601282805E-13,0.021270509874168286,0.001329406867135518,-6.160693885664358,114.83283411189112,7.177052131993195,7.589563927071389,174.7266043393378,87.3633021696688,139.28863114678435,174.7266043393376,10.9204127712086,87.3633021696688,-1.9895196601282805E-13,0.021270509874168286,0.001329406867135518,-6.160693885664358,114.83283411189112,7.177052131993195,7.589563927071389,208.09597628912888,103.68528530355147,166.53584689901555,207.67410128912888,12.979631330570555,103.68528530355147,-0.5625,0.042306620104959336,0.0026441637565599585,-5.060498722419175,114.66026730115806,7.166266706322379,7.5871576939644925,0,11.790000000000001,12.210142029581716,-0.30694804717544544,0.11339325871794398,5.124041481894684,7.618587916327537,15.0,47.0,46.0,46.0,14.0,1.0,1.0,0.0,0.0,1.0,34.982623999999994,3.5492845887937956,3.4763523490168193,3.353342316812268,3.182716291602608,2.9709538551983923,2.727833283291026,2.465651763122039,2.1983820641404526,1.9519892397944376,1.8917746392832728,1.7961407209947327,1.6716851326642497,1.526402219223016,1.3687255895258517,1.2074322791776364,1.0517716646473416,3.5767908063100164,3.5044449108480875,3.383249335649443,3.2159656378112884,3.009124470843968,2.7725091545318974,2.5184243580375334,2.2608006881196765,1.893678087712519,1.8312188465372576,1.7316406490636487,1.6011891270808858,1.4475947031160403,1.279555211886304,1.1066799629752768,0.9391813367793533,3.697092783406967,3.6278971097750956,3.514825100845156,3.362115260739651,3.1766604626890924,2.968042830830003,2.748094577263175,2.5298924253778283,1.7209833126313603,1.6525150183912376,1.5410803926792567,1.391211504541225,1.209892641159051,1.0066237431989957,0.7930468521409342,0.5819588316982962,3.5970199656091246,3.5251387839716615,3.4052898570851853,3.24046980706848,3.037255639000381,2.8054229480283532,2.5572556184132584,2.3066153557482347,1.856448821338501,1.7926021079180092,1.6904808037330792,1.5560407885973757,1.3968447519685794,1.2217731021377929,1.040943373482631,0.865173694370429,3.755303517738793,3.6879310824339275,3.5788553877956883,3.4330142041573284,3.2575304310085653,3.0617666618890107,2.8570435859248517,2.6557097657313724,1.6667108892255624,1.5966356917798739,1.4814899187250417,1.3251315241990858,1.1343446789617053,0.9187972548556854,0.6905194286421562,0.462897834242288,3.734075503107674,3.5449509905641476,3.4488840577364783,3.2972219501411257,3.100125686269054,2.8707727099346276,2.624585014021141,2.3778032425719813,1.86614842744371,1.7826390515544048,1.6514201884039386,1.4838094224061928,1.2941756410156546,1.0980137994890113,0.9088783192511731,0.7345307711322299,0,0,1,1,0,1,13,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.899494936611669,7.914213562373096,5.2426406871192865,3.4571067811865475,2.2677669529663693,1.478553390593274,0.9571067811865477,0.6142766952966369,0.7437184335382293,0.5276142374915397,0.37447433479423475,0.26593129086050366,0.18898057941386412,0.13441394459938855,0.09571067811865477,0.06825296614407077,11.476845205801295,7.523603362114274,4.966437565715639,3.261801681057137,2.1296653922645454,1.3809008405285685,0.8880560008356357,0.5654504202642843,0.7173028253625809,0.5015735574742849,0.3547455404082599,0.25090782161977976,0.17747211602204546,0.12553644004805167,0.08880560008356357,0.06282782447380936,24.66924486057394,46.20538965768395,43.60784313725487,44.16000000000002,28.77687185628747,368.4520814371258,0.5139426012619571,0.9626122845350823,0.9084967320261431,0.9200000000000004,0.5995181636726556,7.676085029940121,6.189790000000007,75.62200000000007,88.53836827531794,140.5818027352267,177.07673655063587,11.067296034414742,88.53836827531794,7.216449660063518E-16,4.5102810375396984E-17,-55.78399742844082,114.91260732245561,7.182037957653476,7.590675045022073,338,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,14.0,1.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,13.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.787564594667752,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.36641336663875324,0.30488992913875324,0.0,0.0,3.0286967042224937,0.2902777777777778,0.0,0.6713032957775065,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2840916695002713,3.7495666751674808,18.428343735831977,0.0,2.0379979195002713,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0379979195002713,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.36641336663875324,0.30488992913875324,0.0,0.0,0.20208767361111113,0.2902777777777778,0.0,0.30488992913875324,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2840916695002713,3.7495666751674808,1.2057823129251701,0.0,2.0379979195002713,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7495666751674808,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.36641336663875324,0.30488992913875324,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.36641336663875324,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2840916695002713,3.7495666751674808,1.4687144168962352,0.0,2.0379979195002713,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,26.5,1.65625,0.36641336663875324,3.7495666751674808,0.20208767361111113,1.2057823129251701,11.632190902058463,0.2942176870748299,0.7495666751674805,2.1433125283360464,0.2942176870748299,0.7495666751674805,2.1433125283360464,8.0,0.5,0.0,0.0,0.43333,0.7,0.428,0.428,0.7,0.00533,0.00533,-0.0,0.0,0.71429,0.0,0.0,0.125,0.0,0.0,8.5,0.53125,7.5,0.46875,1.0,0.0625,-6.5,-0.40625,0.0,0.0,18.82598,1.17662,20.42601,1.60003,0.1,7.34933,0.45933,7.91421,0.56488,0.0353,-2.1E-4,-1.0E-5,-2.1E-4,-1.0E-5,0.0,15.0,0,0,0,0,0,0,0.875,0.9182958340544896,1.6546315346895533,2.4180194076306387,2.919372148594611,3.2364405016961446,3.309955011637033,44.0782000346155,79.42231366509856,116.06493156627066,140.12986313254132,155.34914408141495,158.8778405585776,0.16442291849514026,0.2962654690118151,0.4329517713535968,0.5227200985176977,0.5794918947581545,0.5926548318291548,4.666666666666668,3.9303309660316037,3.1669430930905182,2.665590352126546,2.3485219990250124,2.275007489084124,0.16442291849514026,0.2962654690118151,0.4329517713535968,0.5227200985176977,0.5794918947581545,0.5926548318291548,6.732876570223358,12.279573646533855,15.293232392312895,16.820870607273,17.51494908531038,17.46719311374249,63.19800003846167,52.27980304628149,46.10716575068184,41.590262503007,39.366968932131435,39.77550319113918,16.0,15.0,15.076923076923077,16,2,16,3.2199999999999998,2.3200000000000016,0.06666666666666665,4.631272037803469,0.0,0.0,23.267138275621512,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.10799999999999998,0.1,0.16700000000000004,0.167,7.651,14.0,13.0,12.0,11.0,10.0,9.0,8.0,7.0,6.0,121.0,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,4.882801922586371,1.0826446280991735,0.4666666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,0.8666666666666667,14.0,0.9333333333333333,2,8.0,15.0,0.875,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.03333333333333333,0.01587301587301588,0.009615384615384616,0.006666666666666668,0.00505050505050505,0.004081632653061225,0.003472222222222222,0.0030864197530864187,0.0028571428571428576,0.0027548209366391185,0.10037330660915411,88.53836827531794,140.5818027352267,177.07673655063587,11.067296034414742,88.53836827531794,7.216449660063518E-16,4.5102810375396984E-17,-55.78399742844082,114.91260732245561,7.182037957653476,7.590675045022073,0.0,282.6557540138673,5.0,4.07753744390572,4.727387818712341,5.389071729816501,6.052089168924417,6.720220155135295,7.388327859577107,8.059276223305648,8.729882284826589,9.402364704231523,91.54615738843512,3.4339872044851463,0.0,4.465908118654584,0.0,5.6240175061873385,0.0,6.840546529288687,0.0,8.089789175789319,8.434463543817241,224.25040102399998,4.671883354666666,30.82843759672344,1.926777349795215,0.0,0.0,0.0,680.0,13.0,9.078,58.0,1.238574468085106,2.1488428426362276,2.8755784208889494,3.619017843446173,4.955685283979701,5.979786075156674,7.300718753896869,8.413545722333994,9.71864861017184,10.871115319553283,78.63617109857442,73.26895661401836,72.42804300551053,94.7785382366705,118.64497600354615,141.82413336615394,164.73480630824173,186.55154976799187,207.40911125070667,226.3885343606553,290.80397548416244,337.053728483965,344.3724443692257,457.6691224685659,583.4047186996261,706.8258043640787,831.6142928111464,952.6847204053057,1071.8465231797302,1184.9137828082225,9.019358408255322,15.320521646261597,20.1250707331771,25.43919832791984,34.69059298606368,41.89289527456725,51.046514789735475,58.82947220529459,67.86785842663943,75.8921044332921,2.185980430846808,2.80974936480377,3.0068753595927666,3.974735655058883,5.1434964665292116,6.244226862913278,7.409979128944302,8.51605382282087,9.645511414139243,10.709746333485368,176.97525338319045,329.82023494878734,470.4551740149507,583.2695945372657,809.7685258632139,974.3070193783791,1197.193115117592,1379.3066537992736,1599.8636057211468,1791.1676119232256,2.491404255319148,3.5501796923017617,4.1906845878371115,5.460703909890326,7.2815694258872234,8.879743894019464,10.74473332601461,12.475767042086348,14.398790345835794,16.255811263003356,0.4525587765957446,0.5929328440480796,0.641326256184938,0.846214055396645,1.0985043548614408,1.3337080750820212,1.58542052732399,1.8228824877329455,2.067284790527355,2.2969749503101053,691.2033981657836,642.889474009938,20.781152101728946,213.37910015184457,-198.46426945434536,-14.358242189311543,477.824298013939,841.3537434642833,35.13939429104049,0.7641131676229707,0.710702976462185,0.02297319718254377,0.23588683237702904,-0.21939875005702142,-0.015872783539384705,625.250496758439,581.5465665420157,18.798266486100605,193.018999504123,-179.5273046897947,-12.98821459105701,0.06088563078499389,0.11034326093897472,1.6122570911496836,3.317460296977383,904.5824983176284,0.0,1.0,0.0,951.8734999254806,30.852447227496892,9.836933725537172,1262.4955914235015,35.53161397155358,10.807949084453135,1594.3980445090829,39.9299141560445,11.682404809999337,4.311612709642417,4.311612709642417,7482.111011912847,7433.698375520572,95.06351500295932,1.0065125908998003,78.70644181082437,78.19717559664359,6.987048794030909,10.582349022805118,20.114646160848295,0.9007732704242636,9.169804385668058,13.400052522729846,5.794168030473852,62.674551709052444,26.18534901683753,1.0275116860153717,11.975534188605057,9.504299675221773,47.51344931983782,0.8619495311037833,2.067495316932524,43.24641221339766,4.022677728148036,51.550453962423646,1.3537612827142296,2.548892579089048,22.409362083753837,3.735867118107548,44.244058372269734,2.1435552042249477,2.6865904124605686,13.507705071316542,4.498238556660159,31.12558374031875,2.897711896342398,2.4947503029503086,6.560862831618612,4.413696538933267,15.752633842165874,3.625819614224822,0.7695688477537679,13.399443968210152,0.40543379615324654,14.054347931390968,0.18889621288813366,0.08494393922064164,1.6391732005348842,0.24595964684335792,12.517129721414182,0.024606087533483742,0.06645068137891338,2.9348855203504867,0.13819509933400004,10.747666877904557,0.057195800634885385,0.10935038243327136,0.7733953062588618,0.11234226851039757,7.987187242652625,0.09314072651135549,0.19464548442427276,0.2135449244636277,0.11497862355670838,5.086924874192533,0.1259103033743752,0.2712131104171146,0.0720029015778995,0.11947580638577007,2.5665755504403225,0.1533945705739392,2.484236007708842,13.3994858208319,1.362051282161493,17.452144402511856,1.933342454159784,0.2676585936709489,3.739936617246107,1.1574990413917252,17.054565697785534,0.1108830060002892,0.2519585417498339,9.814422730797117,0.5775011845242456,17.14534733530965,0.22180912890147442,0.33519448648774736,3.2044608548222278,0.4952197775117603,13.757181918354423,0.35783364862644423,0.4770589960175331,1.2908383287584049,0.5441515313842307,9.120374503776972,0.48372936867472327,0.5547492235596969,0.5468073726230456,0.5510301263454274,4.61078357762428,0.5946056159007395,8.655547985322404,13.399986128979211,5.413565326359871,57.38915442009403,23.33375285851269,0.9663826562469303,11.339527387496231,8.591425840554091,44.44906238288432,0.7807441715217375,1.8661211774406958,40.30137160071373,3.6597806480083133,48.36939920177664,1.2389944573947091,2.303279054252682,20.3824915523278,3.3878272416235387,41.44751367036349,1.9636066666480538,2.453997139880551,12.11496743507909,4.065204516868458,29.078129573529136,2.6544531556230164,2.298367986747101,5.863020162667927,3.9933855217831806,14.716382669843274,3.318577555035627,3.6613012585710556,13.39953900761291,2.061299232213297,21.722514829355504,4.188476894809196,0.39596171268415203,5.184749264689599,2.0737153817417022,20.943166096058643,0.19524158440241246,0.44550175167705297,14.937527111300541,0.9840620906927854,22.11051963921452,0.36451595330136927,0.5710269896909477,5.4627867775040055,0.8639829588604554,18.202322342967324,0.5852154367625152,0.7381040125783622,2.5162261642240993,0.9769948966632881,12.269743540117851,0.7911099734799936,0.7999639328062007,1.125042298177673,0.9794046917668017,6.206279201671311,0.9769346731075327,11.073864366850717,13.400331433458712,7.260943948729171,84.86558512977493,38.17428855242536,1.2577346026141067,14.334039655917964,13.277213999906229,59.90628544956687,1.1966153559563322,2.9026459180380533,54.69239432779017,5.508354660632996,64.10411911564815,1.8188761554744761,3.567592290339369,30.71139676642301,5.167804422596711,55.253459710811164,2.8716175905911405,3.63865596293235,19.321658924929,6.2885663721730305,39.22117085092373,3.8819239044069196,3.2902851537102618,9.485968077740333,6.148659797413691,19.849429317941997,4.870881039195948,5.6267382279118,11.619122207722322,3.354549928296818,30.549404362872302,9.566367723711656,0.5537170177517695,8.005735417167546,3.889152627172246,27.220253571516253,0.3581622020665599,0.8510936174866055,22.597402761182245,1.7269064544667017,30.34165623689856,0.6065012327086244,1.0740873905821153,9.765006964468819,1.5658476348002255,26.15706591138175,0.9664468304661266,1.2522117175931666,5.2323613914554645,1.837284570622549,18.563160005885457,1.3064679274554045,1.2844769323642513,2.4591877033217595,1.8185389467969197,10.10810227072966,1.6248973337051815,33.85214983291404,0.8263417687371009,0.48217362812500014,0.9627846803150365,0.023501880960924076,0.5408024265410633,0.6736142089240349,0.5833272987897495,35.160665229776136,44.69449948195402,93.34322235620834,0.9441770204725547,1.7977439342548478,33.12508166933537,0.3198140733481911,0.10394903054466409,0.9873687721065432,0.009532789445060141,0.5178531202766129,0.10101335726140874,0.027111046436727425,33.548844773228225,14.070431787780965,48.72049879642388,0.9810531581598148,0.6459775239747491,33.41375945924621,0.5210805175356743,0.25416756397401047,0.9773246391962234,0.015241171213130619,0.5269027713833361,0.2681497496019491,0.16208605317459412,34.18900754075589,26.036394682583065,64.65077952734804,0.9659869587943348,0.9571385741598794,33.83414062443429,0.8138106194453947,0.47280985274905396,0.9633658146344114,0.023171781989756276,0.5402276974644257,0.6533842150388731,0.5608909470194836,35.12076109662874,43.91647566564861,92.05585886763282,0.945048721951617,1.7545028595227825,33.5424733885099,0.6107548992273273,0.3211261472303633,0.9729688615862092,0.017716209896822148,0.5309641770342902,0.36831369700617234,0.2587359237567133,34.47435443496759,31.453724569754783,72.50674310120102,0.9594532923793138,1.1580137977971758,33.90853480583344,0.8655705020867117,0.5114891088100681,0.960973886548901,0.024530421448031844,0.5426039107940476,0.7389187590641026,0.6564145145153484,35.28559441673022,47.13680363052553,97.43471975302299,0.9414608298233517,1.9379371843734985,34.052832356442266,0.8148754396357916,0.4739413954496955,0.9635326345949231,0.023057085854135437,0.5472336087829411,0.6550670503667715,0.5635788415773024,35.34164919152775,44.274066826305265,92.76702894438675,0.9452989518923844,1.7658795007270152 +UMLCN0243,L,9-methylheptadecane,CCCCCCCCC(C)CCCCCCCC,Alkanes,,C18H38,NREL (2014),Unknown,PubChem,,66,0,-2.7088,7.337597440000001,64.17549999999999,57.018133999999954,0,0,56,18,38,0,18,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2635.3646099999964,2912.5594010000023,3299.1415130000037,3223.798384,3036.1862309999988,2839.4295019999986,2642.6727729999984,2445.9160439999982,2249.1593149999962,8804.486519863294,11559.77875181832,15716.803364845298,16890.444450797935,16163.399805721214,15156.601460766085,14149.803115810955,13143.004770855825,12136.206425900695,391.0309199999998,398.65878800000036,766.7124200000011,1069.0195840000029,1066.6008600000032,1003.7159600000032,940.8310600000032,877.9461600000026,815.0612600000021,67.09549038426202,89.72598377999994,133.3584098915269,152.35956632488328,147.3395536091281,138.31802474973185,129.2964958903356,120.2749670309396,111.25343817154365,9309.169186541463,7974.160866620204,16820.94329456491,25136.770722967583,25322.074436147228,23843.11928110865,22364.16412607007,20885.208971031494,19406.253815992914,83.27777777777777,101.0,167.08333333333331,213.83333333333331,210.58333333333331,198.33333333333331,186.08333333333331,173.83333333333334,161.41666666666669,47.06008232142851,52.95562547272731,30.547606601851886,21.070577673202614,19.844354450980383,19.718260430555546,19.57535387407406,19.412032095238082,19.223583888888857,157.22297356898738,210.1777954876058,145.5259570819009,110.39506176992114,105.64313598510597,105.25417681087559,104.81335641341448,104.30956167345893,103.72826005043329,6.982694999999997,7.248341600000006,7.099189074074084,6.987056104575182,6.971247450980413,6.970249722222245,6.969118962962987,6.967826666666687,6.966335555555574,1.1981337568618218,1.631381523272726,1.234800091588212,0.9958141589861652,0.9630036183603145,0.9605418385398045,0.9577518214098932,0.9545632304042826,0.9508840869362705,166.23516404538327,144.98474302945826,155.7494749496751,164.2926191043633,165.5037544846224,165.5772172299212,165.66047500792644,165.7556267542182,165.86541723070866,1.4871031746031744,1.8363636363636364,1.5470679012345678,1.3976034858387798,1.3763616557734204,1.3773148148148147,1.3783950617283949,1.3796296296296298,1.3796296296296298,0.07852472299408254,-0.005821242034938149,-0.031190936455179098,-0.005133323070594372,9.252505241497534E-5,-4.774602933724573E-9,-2.3295476614161982E-5,-5.379046438876785E-5,5.470600534114465E-4,1478.7348242142843,-55.74595567474753,-560.2391334846972,-118.44085319260469,-6.022416264032472,-6.17683719387901,-6.331258123725888,-6.485679053572653,-6.640099983419304,2749.770549864786,-103.6619850147514,-1041.7885917825313,-220.24582411719973,-11.19894020934851,-11.486092522408743,-11.77324483546899,-12.060397148529223,-12.347549461589455,0.2896739999999996,-0.0109202500000057,-0.10974700000000495,-0.023201750000000576,-0.0011797499999996472,-0.0012099999999996012,-0.001240249999999555,-0.0012704999999994812,-0.0013007499999994352,12.292753764941379,-0.4634173046306937,-4.657279726316516,-0.9846013092846668,-0.05006447335345826,-0.051348177798419214,-0.05263188224338017,-0.05391558668834112,-0.05519929113330119,66.77443355176989,-2.517290153738469,-25.298417389915407,-5.348369938827035,-0.27195101383850595,-0.2789241167574472,-0.2858972196763956,-0.29287032259533685,-0.29984342551427456,4.704365079365086,-1.087620464852614,-1.2036564625850412,-0.29049744897959356,0.013073979591835538,0.01020408163265113,0.0073341836734669985,0.004464285714282645,-0.1650722789115674,0.0014022271963229026,-1.058407642716027E-4,-2.8880496717758426E-4,-3.3551131180355374E-5,6.047389046730415E-7,-3.3156964817531755E-11,-1.725590860308295E-7,-4.269084475299036E-7,4.675726952234586E-6,26.405979003826506,-1.013562830449955,-5.187399384117566,-0.7741232234810764,-0.0393621978041338,-0.0428947027352709,-0.04689820832389547,-0.051473643282322644,-0.056752991311276105,49.10304553329975,-1.8847633639045709,-9.646190664653068,-1.439515190308495,-0.07319568764280072,-0.07976453140561628,-0.087209221003474,-0.09571743768673986,-0.10553461078281585,0.0051727499999999925,-1.9855000000010362E-4,-0.0010161759259259718,-1.5164542483660508E-4,-7.710784313723184E-6,-8.402777777775008E-6,-9.18703703703374E-6,-1.0083333333329216E-5,-1.111752136751654E-5,0.2195134600882389,-0.008425769175103522,-0.04312296042885663,-0.006435302675063182,-3.272187800879625E-4,-3.5658456804457786E-4,-3.8986579439540865E-4,-4.2790148165350095E-4,-4.7178881310513834E-4,1.192400599138748,-0.045768911886153986,-0.2342446054621797,-0.034956666266843364,-0.0017774576067876207,-0.001936973033037828,-0.0021177571827881154,-0.0023243676396455305,-0.0025627643206348255,0.08400651927437654,-0.0197749175427748,-0.011144967246157789,-0.0018986761371215266,8.545084700546104E-5,7.086167800452173E-5,5.432728647012592E-5,3.5430839002243214E-5,-0.0014108741787313452,-0.07548046746572291,-0.205961607316507,-0.02392702927766441,4.312702722204107E-4,-2.3645929065190103E-8,-1.2306071832249136E-4,-3.044502692925917E-4,0.003334500261081705,-0.038383838383840234,-0.19644790989820363,-0.02931620991476581,-0.001490654741429197,-0.0016244314489932375,-0.0017760450508992462,-0.0019493177387917928,-0.0021492477632831563,-0.03838383838384116,-0.1964479098982038,-0.02931620991476532,-0.0014906547414286614,-0.0016244314489927741,-0.0017760450508987706,-0.0019493177387913357,-0.002149247763282757,-0.03838383838385847,-0.19644790989821145,-0.029316209914765898,-0.0014906547414282917,-0.0016244314489923194,-0.0017760450508982175,-0.00194931773879063,-0.0021492477632819207,-0.03838383838383566,-0.1964479098982007,-0.029316209914764916,-0.0014906547414287432,-0.0016244314489928763,-0.0017760450508988942,-0.0019493177387914858,-0.0021492477632829034,-0.03838383838385534,-0.19644790989820943,-0.029316209914765228,-0.0014906547414278808,-0.0016244314489919517,-0.001776045050897943,-0.0019493177387904569,-0.002149247763281794,-0.2353974157432624,-0.13266788509302277,-0.02260153323244112,0.0010171930433918721,8.435259384224456E-4,6.467032194571201E-4,4.2176296921101267E-4,-0.01679481772269651,1.593687324794011,1.383365453198582,1.009040944787503,0.9555641922659112,0.9547032876172894,0.9533894619925195,0.9519518675381773,0.9473532536015081,1.5555555555555582,1.4175871778210982,1.0300806482437048,0.9712188969154932,0.9693794671864865,0.9672947801602789,0.9649122807017562,0.962163242864999,1.5555555555555576,1.4175871778210973,1.030080648243704,0.9712188969154923,0.9693794671864857,0.9672947801602784,0.9649122807017554,0.9621632428649984,1.5555555555555551,1.4175871778210982,1.0300806482437046,0.9712188969154927,0.9693794671864858,0.9672947801602781,0.9649122807017552,0.9621632428649978,1.5555555555555522,1.4175871778210918,1.0300806482437002,0.9712188969154885,0.9693794671864817,0.9672947801602743,0.9649122807017515,0.9621632428649947,1.5555555555555542,1.4175871778210942,1.0300806482437017,0.9712188969154901,0.9693794671864836,0.9672947801602763,0.9649122807017535,0.9621632428649964,1.8186419232391369,1.1276301607385522,0.9169623142382203,0.8787555511449612,0.8930830873049334,0.9093209616195684,0.9278785322648657,0.9659453438449628,210.1179764197467,105.05898820987329,163.78958399861722,210.11797641974658,11.673220912208144,105.05898820987329,-9.947598300641403E-14,6.661338147750939E-16,3.700743415417188E-17,-62.901073980808285,3000072.8883283115,166670.71601823953,26.845464856404014,210.1179764197467,105.05898820987329,163.78958399861722,210.11797641974658,11.673220912208144,105.05898820987329,-9.947598300641403E-14,6.661338147750939E-16,3.700743415417188E-17,-62.901073980808285,3000072.8883283115,166670.71601823953,26.845464856404014,210.1179764197467,105.05898820987329,163.78958399861722,210.11797641974658,11.673220912208144,105.05898820987329,-9.947598300641403E-14,6.661338147750939E-16,3.700743415417188E-17,-62.901073980808285,3000072.8883283115,166670.71601823953,26.845464856404014,210.1179764197467,105.05898820987329,163.78958399861722,210.11797641974658,11.673220912208144,105.05898820987329,-9.947598300641403E-14,6.661338147750939E-16,3.700743415417188E-17,-62.901073980808285,3000072.8883283115,166670.71601823953,26.845464856404014,210.1179764197467,105.05898820987329,163.78958399861722,210.11797641974658,11.673220912208144,105.05898820987329,-9.947598300641403E-14,6.661338147750939E-16,3.700743415417188E-17,-62.901073980808285,3000072.8883283115,166670.71601823953,26.845464856404014,210.1179764197467,105.05898820987329,163.78958399861722,210.11797641974658,11.673220912208144,105.05898820987329,-9.947598300641403E-14,6.661338147750939E-16,3.700743415417188E-17,-62.901073980808285,3000072.8883283115,166670.71601823953,26.845464856404014,233.11722305121043,116.44209917992612,182.87650290616227,232.91008999222532,12.939449444012519,116.44209917992612,-0.2330246913581817,1.1102230246251565E-16,6.1679056923619804E-18,-66.12624102541878,3000070.88137221,166670.60452067835,26.84546365225921,0,11.890000000000002,12.110335656157309,-0.17050521743502187,0.05006335580527563,5.1222696036911515,8.87986434831878,17.0,55.0,55.0,55.0,17.0,0.0,0.0,0.0,0.0,0.0,41.54186599999999,3.584973989057561,3.478476485045412,3.3962405746173756,3.2085438924083363,3.070713392309581,2.805089376900489,2.6791944727450936,2.333839636499865,1.9700136285914467,1.9057273028776576,1.84206136468605,1.7168440434803975,1.6213768204534809,1.4430279432730624,1.3818267299208211,1.1751514777648024,3.6110140043670595,3.5078052115263443,3.4266356880535995,3.243559885770835,3.108645941114901,2.849914132555373,2.7291611008903858,2.397032961401236,1.9137184230988276,1.844181160497329,1.7776153688725669,1.6444358517593736,1.543289745514763,1.3547006004220814,1.2859682129200503,1.0660801623971738,3.7253083364117305,3.6358564389204697,3.559836694213869,3.3967095073594167,3.27486575421663,3.0452851453189407,2.946252043277315,2.665784873527437,1.7480925405254566,1.6612384265801436,1.5863164432182213,1.4270447019619714,1.307801856849512,1.0837055785743464,0.9887447467823584,0.7171642996325172,3.630185213988884,3.5293634417235706,3.4490077242572563,3.269326042085346,3.1365839093319106,2.8828884909350956,2.7658933749417844,2.4432313009223354,1.877873533369307,1.8048255263638981,1.7364174167252118,1.5979153267994455,1.4930131466936596,1.2974209920518722,1.2235322085550977,0.9942006980374458,3.780877081409874,3.6976712519727277,3.6243587825800248,3.4705361724381136,3.3550041618681496,3.1385609627935174,3.04927295104588,2.789670877820915,1.6963765457284254,1.6035540552706378,1.5261695270659397,1.3580759210361613,1.232914285894596,0.9961897027031495,0.8918437961477093,0.5994118592880103,3.6363050993638666,3.5519397590448767,3.4913122149334384,3.327961590109817,3.220359123669654,2.9649107809271795,2.893234430474695,2.5820012741835554,1.8520581152609579,1.7631246309238446,1.68029915955981,1.5212914317006074,1.3931135502175003,1.1868368617713378,1.075490483768313,0.8347653235109925,0,0,0,0,0,3,14,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.4082482904638631,0.4330127018922194,0.4082482904638631,13.476845205801295,8.808060412490446,6.218055890644904,4.1009536313038994,2.6905962987307173,1.7546009608838813,1.1360823260694912,0.7293625530579064,0.7487136225445163,0.5181212007347321,0.3657679935673473,0.2563096019564937,0.1793730865820478,0.12532864006313438,0.08739094815919163,0.060780212754825536,13.476845205801295,8.808060412490446,6.218055890644904,4.1009536313038994,2.6905962987307173,1.7546009608838813,1.1360823260694912,0.7293625530579064,0.7487136225445163,0.5181212007347321,0.3657679935673473,0.2563096019564937,0.1793730865820478,0.12532864006313438,0.08739094815919163,0.060780212754825536,28.294728271931554,53.86890021849971,50.78431372549014,51.44000000000004,33.17253532934137,430.79415209580844,0.5052630048559206,0.9619446467589234,0.9068627450980381,0.9185714285714293,0.5923667023096674,7.692752715996579,7.1237000000000075,85.15000000000008,105.05898820987329,163.78958399861722,210.11797641974658,11.673220912208144,105.05898820987329,6.661338147750939E-16,3.700743415417188E-17,-62.901073980808285,3000072.8883283115,166670.71601823953,26.845464856404014,401,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,14.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.600000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.044896157615643,0.0,20.314038765118884,0.0,0.0,0.0,0.9743984105988072,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.294230879891218,0.0,1.3694782021604939,0.0,0.0,0.0,0.9743984105988072,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4564343978332075,0.0,1.473298611111111,0.0,0.0,0.0,0.9743984105988072,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,28.333333333333336,1.5740740740740742,0.2,2.4564343978332075,0.2,0.9743984105988072,13.248881149381754,0.3589349227345261,0.4564343978332074,2.089792315231286,0.3589349227345261,0.4564343978332074,2.089792315231286,9.0,0.5,0.0,0.0,0.42857,0.7,0.42857,0.42857,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.16667,0.05556,0.0,8.5,0.47222,8.5,0.47222,0.0,0.0,-8.5,-0.47222,0.0,0.0,24.86264,1.38126,24.86264,0.0,0.0,8.80805,0.48934,8.80805,0.0,0.0,0.10595,0.00589,0.10595,0.00589,0.0,17.0,0,0,0,0,0,0,1.0,0.9059282160429993,1.2095138163107082,2.1938809259956873,2.937654486267646,2.9816615121017565,2.7658813699600984,50.73198009840796,67.73277371339967,122.85733185575849,164.50865123098816,166.97304467769837,154.8893567177655,0.1559967021478377,0.20827275627957748,0.377776277744425,0.5058506886000357,0.5134284975035285,0.47627214232329346,4.901426706014606,4.597841105746896,3.6134739960619173,2.8697004357899587,2.825693409955848,3.0414735520975062,0.15669812309441852,0.20920923039630704,0.3794749046428331,0.5081251871243067,0.5157370687602413,0.47841364436980394,6.698383050008051,10.341410253220555,15.031282167524889,16.020207021227588,16.257009793665837,13.491623710216764,71.26744542347804,61.11904461291351,51.97344800440858,47.59787534342741,47.00324391835766,56.53933291430064,18.0,15.058823529411764,15.0,18,0,17,3.44,2.644799999999999,0.2751606040745523,7.412537482016503,0.75,0.0,21.276040235007784,4.141993257674248,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.103,0.084,0.08800000000000005,0.024999999999999994,8.528,17.0,16.0,15.0,14.0,13.0,12.0,11.0,10.0,7.0,150.0,2.8903717578961645,2.8903717578961645,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.0794415416798357,5.017279836814924,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,0.8235294117647058,17.0,1.0,2,8.0,16.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407406,0.020000000000000004,0.01652892561983471,0.08823529411764706,0.039215686274509824,0.0234375,0.016000000000000007,0.011904761904761908,0.009419152276295133,0.0078125,0.006734006734006732,0.0020000000000000005,0.0023612750885478157,0.221222088487035,105.05898820987329,163.78958399861722,210.11797641974658,11.673220912208144,105.05898820987329,6.661338147750939E-16,3.700743415417188E-17,-62.901073980808285,3000072.8883283115,166670.71601823953,26.845464856404014,0.0,319.88418196640134,5.169925001442312,4.23410650459726,4.90527477843843,5.602118820879701,6.289715570908998,6.994849985833071,7.690286020676768,8.400434630806041,9.100860271357362,9.814492390964565,98.0321389744622,3.5553480614894135,0.0,4.634728988229636,0.0,5.849324779946859,0.0,7.1284959456800365,0.0,8.445697189711167,8.764209507142004,254.29735121599998,4.541024128857143,34.64845767333276,1.924914315185153,0.0,0.0,0.0,905.0,16.0,10.521000000000003,68.0,1.239727272727273,2.141682255476594,2.8741536778356265,3.590022594370263,4.787739112730905,5.85134543629427,7.0805381247635015,8.221402628462522,9.449086826738888,10.618354903399682,77.22180975787272,73.36262193652564,72.74893311117707,91.3408709872673,114.26050570027951,136.9536377230858,159.3020247533374,181.03051745149205,201.95497045770838,193.86108980862767,287.5990282903022,334.1518722863629,348.49711951179495,443.4956570715224,564.1979022136036,684.6666625018642,806.4680507778816,926.0056057231681,1044.1835027353982,1105.9344370975941,9.022993228436372,15.254375154377723,20.13804520591475,25.200049286760414,33.522686549780055,40.970134753698886,49.511951291151476,57.469477949376504,65.99501337825076,74.11761786961087,2.1691573263116353,2.7811710269901986,3.041584082280334,3.8700588769026383,4.97751563636384,6.062138505704345,7.189944363965162,8.287499953626874,9.39428636844718,10.22740286320865,177.43632193628335,329.9697186346048,468.3772231460302,581.3071926189217,781.6736218871868,955.1342713340023,1160.6573140006624,1349.070992870474,1554.728203917449,1748.6653477114357,2.3395696969696957,3.3964916575387525,4.11493712282632,5.1978731607631055,6.828138022925048,8.353055268528296,10.04066887849282,11.639738508866332,13.468611856963173,15.331880833684226,0.4493499545454541,0.5868652567921926,0.6485061699993698,0.8247644436803128,1.0630963605165065,1.295412226561155,1.5384245899583235,1.7743919625314062,2.0132940579077854,2.200529981630969,735.3368844624948,717.5184345585926,18.567476797682197,193.75514164119596,-189.0601285690846,-11.404709374134171,541.5817428212988,906.5785631276772,29.972186171816368,0.7914575346709821,0.7722791869903686,0.019984540041257427,0.20854246532901796,-0.2034891305244984,-0.012275112748477465,683.1956358540348,666.6406561307913,17.25089463759182,180.01635711542633,-175.6542579076751,-10.596024539538071,0.03036916233139532,0.0667841664359929,0.38562931504143466,4.435774407504603,929.0920261036907,0.0,1.0,0.0,1055.386675484549,32.48671536927901,10.181314874118693,1423.49404659248,37.7292200634002,11.249120053887372,1874.6192678057816,43.29687364932694,12.330225678411235,4.4265194352834,4.4265194352834,9193.240159259361,9123.536308469758,157.03891649285652,1.0076400036600823,58.541158870499146,58.09729532160122,7.639333975741074,10.582349022805118,21.159791535562274,0.9995363496292374,10.598221030567625,16.12490119283891,5.82948827116079,74.04990677786388,29.151753530864728,6.098196184599148,13.458321816234273,15.817918334792513,54.651042144840495,6.226468498433384,4.129194024823693,54.24620836183047,9.293658017827724,62.89224633125161,4.723288488755266,4.380539904944795,27.623520537846172,6.686744037149855,55.89560978632166,3.877013313457354,4.618850086517951,17.800809218772777,5.338909365178674,40.979674861856346,5.795343493241607,2.7317875159558707,8.295574765069745,4.252101169342484,25.42067412200903,7.251381242345648,0.8894352509415691,16.12407928967247,0.40550833579067147,17.592568849814793,1.1981288553673535,0.17812373236792686,1.814958086585791,0.707385735397261,14.116117680091115,0.24927488503310255,0.043924938341676094,4.390492965124965,0.39249661224441124,13.064727846568719,0.14683447037049963,0.159848370633739,2.8027836665893315,0.10463982181526839,10.898857511803559,0.23618614877701724,0.34970327189170736,0.25411324621468756,0.07132917415370299,6.65629588077099,0.2518138849631131,0.25558459149129664,0.08076250177270887,0.062393396381704366,3.9661952445810282,0.30676767120882836,2.8712054125312303,16.12413570703059,1.364195973289762,22.137701225809156,3.077626946130396,0.794507536130251,4.0190071062193855,2.611704904642818,19.49018299527357,0.9843028742173972,0.3332772053181718,12.418222886723262,1.5223324349000553,20.81806137581131,0.638439531753038,0.6198012444414114,5.782681375990449,0.6386121967038912,17.76558805301858,0.8212040105782262,1.0756840079052106,1.6300560323514774,0.4784963424378505,11.900080979774236,0.9674370272789379,0.6728800220168296,0.6644230714260002,0.39543878575846164,7.162899007384403,1.189141804924033,10.003856122081114,16.124811484362144,5.44491506146202,68.12468506489333,26.086787538973955,5.5263332733738855,12.684459821850185,14.47539527128035,51.143607336984026,5.688956256472361,3.6864571846943,50.43387304558116,8.505668802010307,58.9866009931433,4.286562865461649,3.9800864037299726,25.365862718214316,5.997391367509875,52.32088592935228,3.5981753386710764,4.306043011272094,15.946305244853349,4.780095001740261,38.25496174635697,5.3088305269584195,2.549011463898748,7.405946845661266,3.810886187299554,23.688877075842196,6.63691171689539,4.231628500393893,16.124207498076544,2.06638651259905,27.33000581453938,5.503990527425918,1.3934214171645907,5.5832690681899315,4.2693453515292825,24.040373542890116,1.6328963449353526,0.693593143539567,18.56705609411685,2.5019378746588083,26.858295077029744,1.107312291644166,1.054781962040059,8.447825794157703,1.245547193096053,23.167665047893085,1.26975920798242,1.6172321039621496,3.229519154688956,0.9563641621678786,16.02305275000652,1.5821879388505642,0.9855139246618886,1.3896689186225337,0.7791050939637111,9.708478136255193,1.9537669030755058,12.798886760168244,16.12527806978256,7.313023470245099,98.79163623361411,42.036928124507604,8.453350898254921,16.392917605662365,21.262679486074365,68.80234484330938,8.41146505390341,5.987177057366476,69.22472480103586,12.487211154242425,78.32415426874091,6.51804719090162,6.024544008979675,36.8207252570143,9.564293479779108,70.06231400920394,4.972950879664458,5.835454869300778,25.5531836403301,7.676290204526989,51.77595363934255,7.7637507795372835,3.4439328343025144,12.028561446915514,6.095461968304507,32.307765926155085,9.7414499322841,6.903917810514465,15.18486189748014,3.3374756108453516,40.944485344729436,12.586055266940589,3.1550776542549186,8.274127542449486,8.171009994008372,33.73079455128133,3.2813338977759825,1.6954186265358135,30.82559200556795,5.012297407638987,38.84718807697834,2.206347941102949,2.0645451551777003,15.221470605217743,2.854862825089302,34.501977234859154,2.1150490385634892,2.967757620472816,7.559977609404902,2.2433045157103906,24.77826536686077,2.8928299674646043,1.556987296898586,3.4156178123613317,1.8013069051782358,15.502667481209233,3.597812920907949,38.00403481555693,0.9496620219176961,0.6021987786223715,0.9607679013110615,0.024008103144332237,0.5278860975765038,0.4603244373222237,0.4704923171884239,39.555895616097,59.54885720232566,120.83870203887678,0.9411518519665922,1.4587028520871514,35.70530166972743,0.4463186334505478,0.17168421838869696,0.9829860509670229,0.012287390680149973,0.4659574109246106,0.10078853806500182,0.03782391453406074,36.323304521566676,22.14260412340837,61.201858296792544,0.9744790764505342,0.6045698635236733,36.63396740975972,0.6496527322879357,0.3456196101786461,0.9735505593782906,0.01726457235292668,0.4905109642149413,0.21440158566197712,0.154073461568168,37.6292397522263,36.68530728184082,82.54007153061603,0.9603258390674358,0.8589860114450865,37.948680597087154,0.9375403490049312,0.5918328578769242,0.9612601671177595,0.02374839331392455,0.5263494480072037,0.4485719760297245,0.4543407104937116,39.47805380396901,58.59256252582894,119.12709387402032,0.9418902506766392,1.4292621345306398,37.041172782873204,0.7388170383206001,0.4218820632831889,0.9696166956134045,0.019339812471880786,0.5014761319839555,0.2777202454085295,0.23001059830489307,38.201871884476994,43.30534962794712,93.05272009873914,0.9544250434201068,1.009206975697378,38.176838677114226,0.9875035034592794,0.6345586860389977,0.9592435430582699,0.02481233104323494,0.532697594375443,0.4979992798919538,0.5227438458239347,39.798900866612506,62.55183545833644,126.27344772852906,0.9388653145874047,1.5534407200913316,38.035800769792246,0.9410644767980649,0.5941172585908592,0.9612043563692686,0.02378168084845627,0.5287689414042057,0.45133442129218015,0.4570940405897916,39.57098250518116,58.95096927978955,119.78786868040551,0.9418065345539027,1.4371974032861774 +UMLCN0244,L,diethylene glycol monomethyl ether,OCCOCCOC,Olefins,,C5H12O3,Marquardt (2015),IQT,PubChem,,38.3,0,-0.6198000000000001,0.38415204000000014,30.348300000000002,19.207515999999995,0,0,20,8,12,0,5,0,3,0,0,0.0,0.0,0.0,0.0,0.0,1501.4173759999987,1398.6531469999995,1350.6573499999988,1204.9758209999986,906.467992,716.241379,543.479002,276.9549330000002,66.58444800000001,3139.7617728108844,3704.7977245789393,4210.317507033258,3817.6449121949286,3278.2999845901686,2611.926824164859,1842.8843660242471,1207.0961700013231,547.2799748325006,158.379296,153.01557200000002,270.4873520000001,263.4552840000002,220.26412000000016,223.5531160000002,141.79348000000005,108.84092399999999,75.84191999999999,21.209466858187984,25.058255396000007,29.951796969942986,29.512824036489995,27.15311887418799,21.003258119885984,14.920119233094002,10.998732774792003,5.3855256970940015,3409.3374621484886,2889.837655793051,5576.515563083493,5613.161850815691,4981.613562589839,5084.230816697036,3081.2239470999943,2583.4815598696423,1818.1812899468441,85.5,60.25,94.0,99.75,59.5,68.25,59.0,32.0,26.0,75.07086879999994,73.61332352631577,40.92901060606057,36.514418818181774,30.21559973333333,24.697978586206897,30.19327788888889,18.463662200000012,6.658444800000001,156.98808864054422,194.98935392520733,127.58537900100782,115.68620946045237,109.27666615300562,90.06644221258135,102.38246477912485,80.47307800008821,54.72799748325006,7.9189648,8.053451157894738,8.196586424242428,7.98349345454546,7.342137333333339,7.708728137931041,7.877415555555558,7.256061599999999,7.584191999999999,1.060473342909399,1.318855547157895,0.9076302112103936,0.8943280011057574,0.905103962472933,0.7242502799960684,0.8288955129496668,0.7332488516528002,0.5385525697094001,170.46687310742442,152.09671872595004,168.98532009343919,170.09581366108154,166.0537854196613,175.31830402403574,171.1791081722219,172.2321039913095,181.8181289946844,4.275,3.1710526315789473,2.8484848484848486,3.022727272727273,1.9833333333333334,2.353448275862069,3.2777777777777777,2.1333333333333333,2.6,0.5421358527726157,-0.1544337288443789,-0.26921459801315184,0.22315591990911499,-0.03741331808788441,-0.12407982788844892,0.130160426449114,-0.03626329629713888,-0.036135842676195934,779.6402807999999,-8.096106559999633,-332.6149285199999,-142.0262351199999,75.78874959999995,6.194333039999826,-94.05512151999997,59.91357839999988,-29.90641080000012,851.4238144990376,-183.62599321857329,-144.02210977308346,-83.06235410376365,-147.12585308622278,147.24093082756647,-114.75325628673295,-24.134223158844108,45.087696580613944,2.719615199999997,-0.2610616399999982,-1.6760506799999948,0.6098133200000014,0.29954919999999574,-0.6792908400000005,0.3517359200000004,0.14752619999999741,-0.2694036000000003,3.617246533675201,-1.571673585025636,-0.19252595313047938,0.6898068009789194,-1.4238254491999993,0.631356059653558,-0.04807991525128044,-0.4670886838302004,0.35294980559999845,20.57066884423019,-9.997210534957853,-1.0336483587312315,5.943050672613165,-8.954762439337495,3.04850996158879,0.7454475846842181,-3.108360849066452,2.0568823558874865,31.04999999999999,-3.5224999999999973,-14.157500000000002,3.142500000000001,4.224999999999998,-6.247500000000006,2.4050000000000016,3.537499999999999,-6.175000000000001,0.027106792638630785,-0.008128090991809415,-0.008158018121610662,0.006762300603306515,-0.0012471106029294803,-0.004278614754774101,0.007231134802728555,-0.0024175530864759256,-0.0036135842676195936,38.982014039999996,-0.4261108715789281,-10.079240258181816,-4.303825306666664,2.5262916533333315,0.21359769103447676,-5.225284528888888,3.994238559999992,-2.990641080000012,42.571190724951876,-9.664525958872279,-4.364306356760105,-2.5170410334473834,-4.904195102874093,5.077273476812637,-6.375180904818497,-1.6089482105896071,4.508769658061395,0.13598075999999987,-0.01374008631578938,-0.05078941454545439,0.01847919151515156,0.009984973333333192,-0.023423822068965535,0.01954088444444447,0.009835079999999828,-0.02694036000000003,0.18086232668376007,-0.08271966236977031,-0.005834119791832708,0.02090323639330059,-0.04746084830666664,0.02177089860874338,-0.0026711064028489134,-0.031139245588680028,0.03529498055999984,1.0285334422115096,-0.5261689755240976,-0.031322677537310044,0.18009244462464136,-0.2984920813112498,0.10512103315823414,0.041413754704678785,-0.20722405660443013,0.20568823558874866,1.5524999999999995,-0.1853947368421051,-0.42901515151515157,0.09522727272727276,0.14083333333333325,-0.21543103448275883,0.1336111111111112,0.23583333333333328,-0.6175,-0.2998543981269774,-0.30095844352992174,0.24946885798909815,-0.046007309664227176,-0.1578428998153218,0.26676467773701956,-0.0891862463665506,-0.13330917883917243,-0.010930960907809682,-0.2585613008050165,-0.11040541164062094,0.06480659646628488,0.005479390849721134,-0.13404347254934415,0.10246362735135868,-0.07671848552851253,-0.22702033451011028,-0.10251783618075058,-0.0591254552805377,-0.11519985744724871,0.11926547954968851,-0.14975340826165495,-0.037794296640299714,0.10591128839200425,-0.10104434124202125,-0.37350441742974844,0.1358956334348446,0.07342930965625727,-0.17225835529206895,0.1437033036471078,0.07232699684867062,-0.1981189103517296,-0.4573625911293656,-0.032257241730798566,0.11557540354907712,-0.26241423062997804,0.12037276644577317,-0.014768727417287818,-0.17217098861681332,0.1951483274994772,-0.5115720636100574,-0.030453727853477795,0.17509634323354048,-0.2902113524567997,0.10220477900281714,0.040264859658459586,-0.20147527353011063,0.1999820590631321,-0.11941689973726581,-0.27633826184550836,0.06133801785975703,0.09071390230810518,-0.13876395135765468,0.08606190731794605,0.15190552871712293,-0.3977455716586153,1.2492906931472634,1.5687396220946377,0.8606993941726778,0.5731477838630947,1.078420808150149,0.8411640770523515,0.6794713776985534,1.0991871149925048,1.0491870034737696,1.3386046979706812,1.1108758322481471,0.7499123385040305,0.9286937466921552,1.1002585260044029,0.6872109922927934,0.9690282275112536,1.6044255130410794,1.042022169001862,0.9869064307337985,1.1579729253692,0.6843433182318748,1.0442154645351436,0.9250045486081642,0.5305180880387275,1.013202161835249,1.6849202739706675,0.9801872862102863,0.4552196452890348,1.1638684056834783,0.9031074200006929,0.4822602844696562,1.190199848860972,2.0535050525148906,0.9767160098819636,0.8126024994689794,1.3448502950358685,0.6037731297887794,0.8917289119735179,1.0161753307678343,0.27872132016444096,2.137299228958993,0.9998093324878833,0.7651169471088333,1.3507881047270534,0.6123962842535458,0.8416207511298909,1.0127441335319625,0.25252765146055184,1.0386473429951695,1.3072756551017426,0.9086029375884451,0.38244766505636085,1.1288800044422236,1.2238325281803548,0.5099302200751479,2.3252818035426737,35.66406202088365,18.20703101044182,29.079577585323776,36.22656202088365,4.528320252610456,18.20703105800147,0.7499999999999893,0.013600474160669007,0.001700059270083626,-3.4381204976742548,34.73182539559675,4.341478174449594,2.8381251399956846,35.68756441279271,18.217680575044398,29.09682957100539,36.248411965764774,4.531051495720597,18.217680622072233,0.7477967372960812,0.013552234183425549,0.0016940292729281936,-3.440963088690171,34.723343137449184,4.340417892181148,2.8379297389421674,56.4769655426276,27.639991054226765,44.43668924542657,55.57922796699705,6.947403495874632,27.639991054229334,-1.1969834341740722,0.014032978929603868,0.0017541223662004835,-3.4130760653626697,31.236999903722673,3.904624987965334,2.7532826292385995,35.7122304922263,18.228857446441566,29.114936104169022,36.27134379271892,4.533917974089865,18.22885749291767,0.7454844006568315,0.0135016690372885,0.0016877086296610624,-3.443953575030294,34.7144639058781,4.339307988234762,2.83772514189056,78.43591777555034,37.594517491266444,60.71845659855184,76.00075568078725,9.500094460098406,37.594517491266444,-3.2468827930174555,0.0276588800711407,0.0034573600088925877,-2.8702467541424035,30.21084271826467,3.7763553397830836,2.7265607122807562,38.12475101201211,19.322076784823505,30.88746431486373,38.51430293023829,4.814287866279786,19.322076799506107,0.5194025576348942,0.008851235345163078,0.0011064044181453847,-3.7817585941436676,33.946892907390016,4.243361613423752,2.8198378641216153,28.09657011269624,14.759907683963315,23.73185872697905,29.081720129831393,3.635215016228924,14.759909712482163,1.7523809523809408,0.029426531909163445,0.0036783164886454306,-2.8206868525656477,42.49314953633722,5.311643692042153,2.999474300446391,0,11.99640049869192,15.998701527371225,-0.4087775062043914,0.0734384850130318,3.712002606190614,5.891579335887921,7.0,19.0,19.0,19.0,7.0,0.0,0.0,0.0,0.0,0.0,16.950484,3.4139382641453264,3.151867225917254,2.724136169420934,2.252173985299255,1.767557124490528,1.2588242496301723,0.7986177904088051,0.6878041385476474,1.6905724104075959,1.542251065458643,1.3403255990246965,0.8654340253659545,0.7277808812278257,0.38892962294002725,0.08392307051869083,0.08392307051869115,3.304464855644713,3.066504734959346,2.661725029241523,2.11060178495163,1.7442695536746848,1.1911965699957272,0.5201505411610445,0.4959668342534294,1.7149082659236434,1.534752880369574,1.2702717945921935,0.8516697553463736,0.623435777327989,0.32996070571414,0.2709139018929369,0.2709139018929371,3.5409879261788046,3.3133280314538243,2.952096053932927,2.5136690822769787,2.149954874085319,1.7646607523849334,1.1546253617177018,1.1339351588623037,1.443434002394501,1.2426712440390522,0.9280321537714762,0.39475502229667236,0.15041986782191236,0.2915539569326533,0.9439184268026218,0.9439184268026218,3.285929573479145,3.0617846430190783,2.677206333199675,2.0920299232477966,1.7799723524136415,1.2061858453506278,0.4436635613790849,0.43996718076885327,1.7245013927201287,1.5292959271079263,1.2316125301835539,0.8415920793738213,0.5569247767772154,0.2664306707671177,0.39927724550898164,0.3992772455089818,3.5689895195955748,3.358624469432361,3.033031335741573,2.5848273951312475,2.284312728826132,1.9252201686369175,1.2085945588698321,1.2085154083593712,1.4070665706736005,1.1886612500849565,0.8362584515859051,0.3101333034360846,0.009297667987337135,0.45332881653303636,1.2076448229620869,1.2076448229620875,4.409962448214733,3.699410780780359,3.38046202579717,2.738428516436214,2.2545192506687792,1.7911684102382845,1.4261175381293398,1.2703458126683331,1.4536641507900234,1.2785103213463374,0.9441525596240007,0.44080327880542924,0.3225622547016499,0.34427778233423767,0.6249999999999996,0.625,0,0,0,0,0,4,0,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.242640687119286,3.914213562373095,2.414213562373095,1.4571067811865475,0.8535533905932737,0.47855339059327373,0.25,0.125,0.7803300858899107,0.5591733660532993,0.40236892706218247,0.29142135623730947,0.21338834764831843,0.15951779686442458,0.125,0.125,5.0921373011738735,2.59050146026514,1.328778513272518,0.6674197060776055,0.3088706934849683,0.14623577822430947,0.060300566479164916,0.018633899812498248,0.6365171626467342,0.37007163718073427,0.22146308554541969,0.1334839412155211,0.07721767337124208,0.048745259408103155,0.030150283239582458,0.018633899812498248,10.395364135965808,20.31900946831755,19.400000000000006,19.76,11.232045508982033,155.89039880239523,0.5197682067982904,1.0159504734158775,0.9700000000000003,0.9880000000000001,0.5616022754491017,7.794519940119761,-0.3582999999999999,29.78079999999999,21.836353346989743,34.97342453153384,43.67270669397949,5.4590883367474365,21.83635334804216,2.7755575615628914E-16,3.469446951953614E-17,-28.656407870242358,32.7162929366335,4.089536617079188,2.7902985670066807,74,1.0,0.0,3.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7554861111111111,0.0,17.72972222222222,0.0,0.0,3.6627435667438277,0.0,0.0,3.5370026683358526,0.0,0.0,0.0,0.0,0.7554861111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.38,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6133985260770976,0.0,1.6568792517006803,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.199770408163264,0.0,9.529951814058958,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7554861111111111,0.0,4.6817573696145125,0.0,0.0,3.6627435667438277,0.0,0.0,3.5370026683358526,0.0,0.0,0.0,0.0,0.7554861111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5888888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6133985260770976,0.0,0.08701814058956914,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.199770408163264,0.0,4.6817573696145125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7554861111111111,0.0,8.199770408163264,0.0,0.0,3.6627435667438277,0.0,0.0,3.5370026683358526,0.0,0.0,0.0,0.0,0.7554861111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6011111111111112,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6133985260770976,0.0,0.5972222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.199770408163264,0.0,4.848194444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.0,2.625,0.7554861111111111,8.199770408163264,0.23777777777777764,0.08701814058956914,1.495603962585034,1.4129818594104309,2.199770408163265,9.459444444444445,1.4129818594104309,2.199770408163265,9.459444444444445,3.49999,0.4375,0.0,0.0625,0.575,0.9875,0.42308,0.575,0.91111,0.15192,0.0,-0.15192,0.07639,0.44304,0.27125,0.0,0.23809,0.0,0.0,4.75,0.59375,4.75,0.59375,0.0,0.0,-4.75,-0.59375,0.0,0.0,5.07442,0.6343,7.95768,2.88326,0.36041,2.50096,0.31262,3.91421,1.41326,0.17666,-2.1E-4,-3.0E-5,-2.1E-4,-3.0E-5,0.0,7.03,3,3,3,3,1,1,1.0,1.3527241956246547,1.919240704636849,2.6464393446710153,3.008694969562842,3.1841837197791887,2.941446071165522,27.054483912493094,38.38481409273698,52.92878689342031,60.173899391256846,63.68367439558377,58.82892142331044,0.3129909072816051,0.4440704848623512,0.6123284068056635,0.6961464660002064,0.736750739454904,0.6805865360520722,2.969203899262708,2.402687390250514,1.6754887502163474,1.3132331253245204,1.137744375108174,1.3804820237218407,0.31844333297675975,0.45180636876758173,0.622995410419722,0.7082736134364594,0.7495852294329589,0.6924426233396428,13.01226907359898,17.631495865741194,21.646636035557112,22.027127635552766,21.104772094055203,20.860135015573526,30.159228416995024,24.919889559757536,20.847178500804727,20.158559799633995,20.947106681954605,21.551086545602335,8.0,7.0,7.2,8,0,2,1.6799999999999997,0.9892000000000007,0.0,1.0920483450836267,0.0,0.0,2.94168275343288,0.0,0.0,0.0,0.0,0.0,0.0,0.47140452079103173,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.259,0.8069999999999999,0.827,0.752,0.262,3.7670000000000003,6.0,5.0,4.0,3.0,2.0,1.0,0.0,0.0,0.0,36.0,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,0.0,0.0,3.6109179126442243,1.0,0.42857142857142855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.7142857142857143,7.0,1.0,0,4.0,7.0,0.75,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.0,0.0,0.0,0.0,0.07142857142857142,0.037037037037037056,0.025,0.020000000000000004,0.018518518518518517,0.020408163265306124,0.0,0.0,0.0,0.0,0.1923922902494331,21.836353346989743,34.97342453153384,43.67270669397949,5.4590883367474365,21.83635334804216,2.7755575615628914E-16,3.469446951953614E-17,-28.656407870242358,32.7162929366335,4.089536617079188,2.7902985670066807,38.69,121.40706193181667,4.0,3.295836866004329,3.8918202981106265,4.51085950651685,5.1298987149230735,5.75890177387728,6.385194398997726,7.016609683894219,7.645397699428633,8.27715777243181,66.91167671418455,2.70805020110221,0.0,3.6635616461296463,0.0,4.762173934797756,0.0,5.926926025970411,0.0,7.126890808898808,7.492760300922379,120.078644244,6.0039322122000005,14.83110795092203,1.8538884938652538,7.995860386504598,7.995860386504598,0.0,84.0,5.0,-0.8790000000000002,26.0,1.2232105263157893,2.080645053901254,2.8014887059818765,3.5054486133952407,4.698051828647652,5.746757349806696,6.770624485268929,7.801507891050474,8.37534434106357,0.0,102.62719896336839,93.18123009537632,123.09685960789028,135.03816488030492,138.0585250683312,203.01986032084147,144.1015710092348,55.32458219959857,8.509885872558415,0.0,257.58650139754815,279.97071541300215,352.37490138336693,445.3436371692904,463.6731143332345,640.6990878349666,582.3166666439517,439.2260596076101,260.33706301865806,0.0,9.966786705684209,17.15226020131817,22.605985058434687,26.22356110231296,36.61912911322096,46.054713459533815,49.4850739263852,59.75286297409605,56.26944944303933,0.0,1.6852966963232632,1.9566672733004598,2.625287028289363,3.496489413910724,3.579857330628717,5.013512044892786,5.148401368521302,4.233113077566943,3.7237861765909077,0.0,184.7513305861104,349.2257762577536,474.99011487943096,570.0882203996584,818.321391133898,976.5304164397979,1158.3683379605843,1417.9083863543128,1548.749010444056,0.0,4.055421052631579,6.0962946135041935,9.145542804553473,7.795333713927965,11.733980078632094,20.718519523067155,15.539433609254058,21.351235519460555,8.37534434106357,0.0,0.43207455789473687,0.5348042544753675,0.6751406016244633,0.8534252269938473,0.9599947574755596,1.30304621317256,1.2757866418823731,1.16996560491321,0.8576352605249097,0.0,376.3721592281708,433.1564558930369,27.71242175627523,85.55050942069478,-98.45774867223065,-33.193745762235295,290.82164980747604,531.6142045652675,60.90616751851053,0.8147947368096655,0.937725046402311,0.05999363884291433,0.1852052631903344,-0.21314768759935904,-0.07185996274945276,173.85483219581243,200.08478604859627,12.800995812381538,39.51771961587725,-45.47986601583609,-15.332943624943702,0.1823245802376366,0.3418062939880371,6.687365866985202,18.2809312362649,339.6938031981222,122.2288654507434,0.7353910648977985,0.26460893510220146,612.562632798823,24.750002682804357,8.492785725524854,737.1509617624428,27.15052415262812,9.033418808180137,940.8202548847858,30.672793398788865,9.798709586043973,2.9699695214870596,2.9699695214870596,914.2905543398216,891.4868896035114,39.49144557742045,1.0255793607312074,23.151610202452922,22.574177181126693,4.080099128735372,4.610697771358492,8.762533284212585,0.9004787818982983,3.7822438808169965,3.8108796288214224,10.601592507259445,10.392923738833966,4.2840383072891335,4.383914478413566,6.894687941255656,6.262001967635528,1.5049642357213466,0.028927836338929345,5.553983728904468,2.6294157922771313,2.601028082932308,0.6006225787540829,3.2904873190052593,0.9973090750297927,0.007112591059251242,4.8041192308598246E-24,6.258628946493524E-67,1.572608201593087E-131,7.621452951789151E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.33732304948497804,4.446053848972517,1.0677424619695826,1.3226022516237395,0.18393179326668124,3.364559642990572,0.4805297221849846,1.2951707484774535,0.09661665937893163,0.0031795214294612468,1.3162789595101563,0.12055988387837883,2.594338348406867,0.03648010476002402,0.3947366683982142,0.007239600139642591,7.950959066045176E-4,5.370426954815223E-25,6.996393715320907E-68,1.757986650487137E-132,8.519866889278731E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9694694682699001,3.2648775441375495,2.002952879547085,2.3174713507863873,0.7094500208717147,1.974317230471065,1.6158446695977364,1.157332197006875,0.3306464423402143,0.0060501065511811775,1.376822439927918,0.45456862305796164,1.587662446788691,0.1269384543402439,0.6461372860804347,0.07344240449480373,0.0013773391896545585,9.303129543425096E-25,1.2119773272788556E-67,3.0453402835000124E-132,1.4758868527692669E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.793087907996843,4.4436435845006175,12.726289301516507,10.038665916277882,3.922894144584733,5.225480806560787,6.440479592442895,6.15535477406535,1.4003374670000128,0.03479561465830698,5.634702021354294,2.414160436721308,3.26016842458746,0.5573498524838084,3.3943109935225735,0.8893267660367972,0.008933656960543442,6.0341520828949046E-24,7.861070277140608E-67,1.975254276426971E-131,9.57282781582732E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3619185830261988,2.816021180946369,2.1677440301097732,3.213551322708229,1.1626569139407863,1.7782005145410469,2.446852573782112,1.3869499087354944,0.5070430410624669,0.006627598068672791,1.6202381629206168,0.7363972228379639,1.4317398305013869,0.19636777861343607,0.8406509149816448,0.15905964217693416,0.0013638282848990122,9.211836801573087E-25,1.2000840463400064E-67,3.015455988859469E-132,1.461403795554534E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.748237438393997,4.211686583801919,15.282114645510033,13.602803689965782,5.746372794011164,5.861166671972923,8.646289455096303,8.822516859796739,1.9157885820936893,0.04098028141538358,7.432789986901041,3.5032619163610983,3.1850222467635723,0.7707614517482344,4.515134658299935,1.4544853143189413,0.010388001924602574,7.016458558276518E-24,9.140782841653615E-67,2.2968081649607207E-131,1.1131199335473603E-217,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.6352487842750087,6.41420216170505,14.540239100323557,7.447808584586781,2.064143250204062,10.13201110823553,4.095889850122822,5.086716628327731,0.8071697703903937,0.03573871063601165,5.748079813847351,1.2891097071228261,9.154042781124698,0.3165485613645893,4.154755305274351,0.3935495257192022,0.01667002064366534,1.1259654447326411E-23,1.4668661593344197E-66,3.685800472483798E-131,1.7862780355755823E-217,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.901938715584832,0.6732093736210536,0.41395530750000004,0.879057495153582,0.07489171543713197,0.5805043137493224,0.5655565266063968,0.4999875625757907,8.989103396705886,8.869387277236077,20.06059183930046,0.818586242730373,1.64604840293151,7.416400690164242,0.2601104157978962,0.06945882577487761,0.9574528116585563,0.033580096242326496,0.5133275417481501,0.08207608072601258,0.014076904522447847,7.745969931737016,2.4622845147103622,10.342246291120237,0.9361792174878346,0.6094805269966105,7.394482264759706,0.43992691182749244,0.21576203795711724,0.9185496889059986,0.05464814351186377,0.5086204760078905,0.24386280367629218,0.1358320833450218,8.050171214544315,4.943399837429294,13.695451811310024,0.8778245333589979,0.8883153630292046,7.92279354325054,0.6404460163039185,0.3846054043443975,0.8854415309178906,0.07157544848931492,0.5835180150915674,0.5150202296075611,0.43160160965885735,8.947844963898856,8.367589776073597,19.26696931531547,0.8281622963768358,1.5301398543579858,7.4527583517279705,0.532338381213918,0.2943060278918036,0.9001565169632498,0.06429671276920877,0.5163569469825449,0.3572071444059725,0.25272639665095836,8.279402760833692,6.317451418341321,15.764480770025505,0.8502347754448747,1.1262904880394757,7.98058602316599,0.6949249998605258,0.4324508916329787,0.8762208382010288,0.07629862820814243,0.5921445733801615,0.6014341389913803,0.5456647314623361,9.107961914659494,9.297641218315091,20.803936312950533,0.8143312573015433,1.7392434438338777,8.024888468458943,0.6473729885513169,0.39301593396887147,0.8852336362530416,0.0714123750030549,0.5986704536483624,0.5248161744612274,0.4506844846328066,9.065277390979132,8.6034329667664,19.710465876276555,0.8278504543795624,1.5741711127423965 +UMLCN0245,L,cyclooctane,C1CCCCCCC1,Olefins,,C8H16,NREL (2014),IQT,PubChem,,22.3,0,-2.3040000000000003,5.308416000000001,23.2928,24.74868799999998,0,0,24,8,16,0,8,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1170.3699919999983,1347.8263759999993,1549.6682959999982,1574.0538319999962,996.9973480000001,226.22745600000005,16.257024,0.0,0.0,3885.4751248895254,5223.921075922935,7308.3768932986695,8054.386759640988,6360.319152643672,2830.4656837180714,497.3399108948842,0.0,0.0,167.81955200000002,174.20624000000004,341.8360640000001,503.0791999999997,472.9171359999997,328.87296000000003,107.49542399999997,0.0,0.0,29.425006477583977,40.12790896000001,61.50152115879206,72.17223087516798,61.01663087516811,32.044321915167956,7.113806477584003,0.0,0.0,3973.0372811079847,3464.315612126401,7393.617591726794,11831.64124030877,11324.463815948771,8367.325628182369,2958.682432387984,0.0,0.0,34.0,42.0,74.0,98.0,89.0,56.0,16.0,0.0,0.0,48.76541633333326,56.15943233333331,32.28475616666663,21.861858777777726,14.661725705882354,4.713072000000001,1.016064,0.0,0.0,161.8947968703969,217.66337816345563,152.25785194372227,111.8664827727915,93.53410518593635,58.968035077459824,31.083744430930263,0.0,0.0,6.992481333333334,7.258593333333335,7.121584666666668,6.987211111111106,6.954663764705877,6.851520000000001,6.718463999999998,0.0,0.0,1.2260419365659991,1.6719962066666672,1.281281690808168,1.0023920954884442,0.8973033952230605,0.6675900398993324,0.4446129048490002,0.0,0.0,165.54322004616603,144.34648383860005,154.03369982764153,164.32835055984404,166.53623258748192,174.319283920466,184.917652024249,0.0,0.0,1.4166666666666667,1.75,1.5416666666666667,1.3611111111111112,1.3088235294117647,1.1666666666666667,1.0,0.0,0.0,0.033450838718987595,1.734723475976807E-18,-0.01672541935949379,-1.0842021724855044E-18,-0.011150279572995865,-4.553649124439119E-18,0.01115027957299586,0.0,0.0,645.6853813333338,6.750155989720952E-13,-322.84269066666616,-1.5987211554602254E-13,-215.22846044444424,-8.419931418757187E-13,215.22846044444398,0.0,0.0,1200.6795383425201,0.0,-600.3397691712605,1.4210854715202004E-13,-400.22651278084106,1.4210854715202004E-13,400.2265127808404,0.0,0.0,0.12648533333333326,2.9351521213527576E-15,-0.06324266666666362,3.903127820947816E-17,-0.04216177777777852,-2.8753041614315578E-15,0.04216177777777578,0.0,0.0,5.367596185861331,1.2378986724570495E-14,-2.6837980929306546,-4.718447854656915E-16,-1.7891987286204505,-1.2462253451417382E-14,1.7891987286204367,0.0,0.0,29.156867671727976,-1.1368683772161603E-13,-14.5784338358641,6.661338147750939E-16,-9.718955890575952,1.1435297153639112E-13,9.718955890576066,0.0,0.0,1.3333333333333344,-4.579669976578771E-16,-0.6666666666666675,-4.85722573273506E-16,-0.44444444444444364,1.8041124150158794E-16,0.4444444444444447,0.0,0.0,0.0013937849466244831,7.228014483236696E-20,-3.484462366561206E-4,-1.5058363506743118E-20,-1.6397469960288037E-4,-9.486769009248164E-20,6.968924733122412E-4,0.0,0.0,26.903557555555576,2.8125649957170633E-14,-6.725889388888878,-2.220446049250313E-15,-3.1651244183006506,-1.7541523789077473E-14,13.451778777777749,0.0,0.0,50.028314097605005,0.0,-12.50707852440126,1.973729821555834E-15,-5.885684011482957,2.960594732333751E-15,25.014157048802524,0.0,0.0,0.005270222222222219,1.222980050563649E-16,-0.001317555555555492,5.421010862427522E-19,-6.200261437908606E-4,-5.990217002982412E-17,0.002635111111110986,0.0,0.0,0.22364984107755545,5.157911135237706E-16,-0.05591246026938864,-6.5533997981346044E-18,-0.02631174600912427,-2.596302802378621E-16,0.1118249205387773,0.0,0.0,1.214869486321999,-4.736951571734001E-15,-0.3037173715805021,9.25185853854297E-18,-0.1429258219202346,2.382353573674815E-15,0.6074347431610041,0.0,0.0,0.0555555555555556,-1.9081958235744878E-17,-0.013888888888888907,-6.7461468510209164E-18,-0.006535947712418289,3.758567531283082E-18,0.027777777777777794,0.0,0.0,5.1858893301594E-17,-0.2499999999999999,-1.080393610449875E-17,-0.11764705882352941,-6.806479745834213E-17,0.4999999999999998,0.0,0.0,1.045424936798468E-15,-0.24999999999999942,-8.253354764198431E-17,-0.11764705882352922,-6.520150263716761E-16,0.49999999999999856,0.0,0.0,0.0,-0.25000000000000017,3.9452255330953114E-17,-0.11764705882352972,5.917838299642968E-17,0.5000000000000004,0.0,0.0,2.3205474057751832E-14,-0.24999999999998812,1.0286114387301343E-16,-0.11764705882353156,-1.1366156397967985E-14,0.49999999999997663,0.0,0.0,2.306244042198576E-15,-0.249999999999999,-2.9302054347814494E-17,-0.11764705882352987,-1.1608784472501801E-15,0.49999999999999806,0.0,0.0,-3.899144414331335E-15,-0.25000000000000194,7.615516434240889E-18,-0.11764705882352892,1.960995481817029E-15,0.5000000000000038,0.0,0.0,-3.434752482434075E-16,-0.2500000000000001,-1.214306433183764E-16,-0.1176470588235291,6.765421556309542E-17,0.4999999999999999,0.0,0.0,1.4374999999999998,1.4375000000000004,0.9583333333333337,1.0147058823529416,0.7187499999999999,0.0,0.0,0.0,1.4374999999999996,1.4375,0.9583333333333333,1.0147058823529411,0.7187499999999998,0.0,0.0,0.0,1.4375000000000007,1.4375,0.9583333333333334,1.0147058823529411,0.7187500000000003,0.0,0.0,0.0,1.437499999999999,1.4374999999999987,0.9583333333333325,1.0147058823529402,0.7187499999999994,0.0,0.0,0.0,1.4375000000000009,1.4375000000000009,0.958333333333334,1.0147058823529418,0.7187500000000004,0.0,0.0,0.0,1.4374999999999998,1.4374999999999993,0.9583333333333329,1.0147058823529407,0.7187499999999999,0.0,0.0,0.0,1.437499999999999,1.437499999999999,0.9583333333333326,1.0147058823529405,0.7187499999999994,0.0,0.0,0.0,32.0,16.000000000000004,22.828427124746195,32.00000000000001,4.000000000000001,16.00000052012883,5.329070518200751E-15,1.1102230246251565E-16,1.3877787807814457E-17,-29.38944045574168,4000009.51365692,500001.189207115,12.161445837996453,32.0,16.000000000000004,22.828427124746195,32.00000000000001,4.000000000000001,16.00000052012883,5.329070518200751E-15,1.1102230246251565E-16,1.3877787807814457E-17,-29.38944045574168,4000009.51365692,500001.189207115,12.161445837996453,32.0,16.000000000000004,22.828427124746195,32.00000000000001,4.000000000000001,16.00000052012883,5.329070518200751E-15,1.1102230246251565E-16,1.3877787807814457E-17,-29.38944045574168,4000009.51365692,500001.189207115,12.161445837996453,32.0,16.000000000000004,22.828427124746195,32.00000000000001,4.000000000000001,16.00000052012883,5.329070518200751E-15,1.1102230246251565E-16,1.3877787807814457E-17,-29.38944045574168,4000009.51365692,500001.189207115,12.161445837996453,32.0,16.000000000000004,22.828427124746195,32.00000000000001,4.000000000000001,16.00000052012883,5.329070518200751E-15,1.1102230246251565E-16,1.3877787807814457E-17,-29.38944045574168,4000009.51365692,500001.189207115,12.161445837996453,32.0,16.000000000000004,22.828427124746195,32.00000000000001,4.000000000000001,16.00000052012883,5.329070518200751E-15,1.1102230246251565E-16,1.3877787807814457E-17,-29.38944045574168,4000009.51365692,500001.189207115,12.161445837996453,32.0,16.000000000000004,22.828427124746195,32.00000000000001,4.000000000000001,16.00000052012883,5.329070518200751E-15,1.1102230246251565E-16,1.3877787807814457E-17,-29.38944045574168,4000009.51365692,500001.189207115,12.161445837996453,0,11.899999999999999,12.100126148280118,-0.1527974421089598,0.0473287061711603,6.997875000000003,7.198001148280123,8.0,24.0,24.0,24.0,8.0,0.0,0.0,0.0,0.0,0.0,17.491311999999997,3.573186821795352,3.0814338487856534,3.0814338487856534,2.028500883942042,2.028500883942042,1.2708335235040156,1.2708335235040145,1.0564655153467735,1.972542444828084,1.601124015358418,1.601124015358414,0.9445778134233517,0.944577813423351,0.583297215893864,0.5832972158938635,0.4892637512766611,3.600648476655937,3.116946260973287,3.1169462609732843,2.095899224579098,2.095899224579097,1.3834618185940957,1.3834618185940935,1.1858780345576863,1.914964132664752,1.5267614790742527,1.5267614790742492,0.8249853226861619,0.8249853226861616,0.4318187967072537,0.4318187967072533,0.32973457476299695,3.720349289703057,3.2729423845317456,3.2729423845317394,2.386450742436774,2.3864507424367707,1.833651535033732,1.8336515350337297,1.6879734069660655,1.7440549801634406,1.3039466706042044,1.303946670604202,0.4425323156341499,0.4425323156341475,0.08518960464397451,0.08518960464397461,0.22356913709955517,3.6208204755294546,3.143118661698277,3.143118661698274,2.1453968864143698,2.1453968864143635,1.4640758686453397,1.4640758686453388,1.277451730334028,1.878174484825045,1.4790121855094547,1.479012185509451,0.7461196409053841,0.7461196409053836,0.32962785381619836,0.3296278538161979,0.22154323002047094,3.778078744950819,3.348444080638104,3.3484440806381,2.5218418376969693,2.5218418376969685,2.0269322280263795,2.026932228026379,1.8978190436093838,1.690174220647295,1.233500967437388,1.233500967437387,0.31419701473488226,0.31419701473488065,0.2734143046970822,0.2734143046970826,0.42956607801127,3.666666666666665,3.2028119255697787,3.202811925569769,2.2573339575529197,2.257333957552919,1.640186762120041,1.640186762120039,1.4748096336326852,1.8081429669660125,1.3877336578264705,1.3877336578264698,0.5906672908862551,0.5906672908862546,0.12193169653001022,0.12193169653000993,1.7725762748588753E-15,0,0,0,0,0,0,8,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.65685424949238,4.0,2.82842712474619,2.0,1.414213562373095,1.0,0.7071067811865475,0.5,0.7071067811865475,0.5,0.35355339059327373,0.25,0.17677669529663687,0.125,0.08838834764831843,0.0625,5.65685424949238,4.0,2.82842712474619,2.0,1.414213562373095,1.0,0.7071067811865475,0.5,0.7071067811865475,0.5,0.35355339059327373,0.25,0.17677669529663687,0.125,0.08838834764831843,0.0625,12.334622430286998,23.102694828841948,21.80392156862746,22.080000000000002,14.388435928143707,184.2260407185629,0.5139426012619582,0.9626122845350812,0.9084967320261441,0.92,0.5995181636726544,7.676085029940121,3.120800000000002,36.93599999999999,40.0,48.0,80.0,10.0,40.0,3.3306690738754696E-16,4.163336342344337E-17,-28.510550624807195,26.737188841718776,3.342148605214847,2.6288443494539466,64,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,1.5,0.2,1.5,0.2,1.5,5.784,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.5,0.0,0.0,0.43333,0.7,0.43333,0.43333,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.0,0.0,0.0,4.0,0.5,4.0,0.5,0.0,0.0,-4.0,-0.5,0.0,0.0,7.83333,0.97917,7.83333,0.0,0.0,4.0,0.5,4.0,0.0,0.0,-0.086,-0.01075,-0.0,-0.0,0.3333333333333333,8.0,0,0,0,0,0,0,1.0,0.9182958340544896,0.9182958340544896,0.9182958340544896,0.9182958340544896,0.9182958340544896,0.9182958340544896,22.03910001730775,22.03910001730775,22.03910001730775,22.03910001730775,22.03910001730775,22.03910001730775,0.20028426271971758,0.20028426271971758,0.20028426271971758,0.20028426271971758,0.20028426271971758,0.20028426271971758,3.6666666666666674,3.6666666666666674,3.6666666666666674,3.6666666666666674,3.6666666666666674,3.6666666666666674,0.20028426271971758,0.20028426271971758,0.20028426271971758,0.20028426271971758,0.20028426271971758,0.20028426271971758,6.732876570223358,6.732876570223358,6.732876570223358,6.732876570223358,6.732876570223358,6.732876570223358,31.599000019230836,31.599000019230836,31.599000019230836,31.599000019230836,31.599000019230836,31.599000019230836,6.125,3.9375,2.8125,0,0,0,2.34,1.1272000000000013,0.0,0.0,0.0,0.0,13.76640469452392,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.071,0.064,0.277,0.248,4.122,8.0,8.0,8.0,8.0,8.0,8.0,0.0,0.0,0.0,64.0,2.1972245773362196,2.1972245773362196,2.1972245773362196,2.1972245773362196,2.1972245773362196,2.1972245773362196,2.1972245773362196,0.0,0.0,0.0,4.174387269895637,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0,4.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.000000000000004,22.828427124746195,32.00000000000001,4.000000000000001,16.00000052012883,1.1102230246251565E-16,1.3877787807814457E-17,-29.38944045574168,4000009.51365692,500001.189207115,12.161445837996453,0.0,134.5678770069335,4.0,3.4965075614664802,4.174387269895637,4.859812404361672,5.54907608489522,6.240275845170769,6.932447891572509,7.6251071482389,8.318010277546872,9.011035410141815,72.20665989328988,2.833213344056216,0.0,3.8918202981106265,0.0,5.081404364984463,0.0,6.3578422665081,0.0,7.685703061234547,8.001355025826703,112.12520051199999,4.671883354666666,15.9375,1.9921875,0.0,0.0,0.0,64.0,8.0,4.552,32.0,1.2436944495558144,2.1447616926162536,2.8374129894046107,3.440145051877893,3.889620774629974,4.164121838745395,0.0,0.0,0.0,0.0,81.35996807174837,76.13956799160879,65.75272132014958,49.25953794068907,17.740578306842355,4.2310142919630005,0.0,0.0,0.0,0.0,297.61064824763866,345.8192376232907,330.32070342427414,320.78705016743294,224.90208550890256,129.43649901481726,0.0,0.0,0.0,0.0,9.064317967986812,15.316004720749385,19.86405408002149,23.932432626527575,26.628526895070692,27.976502665224743,0.0,0.0,0.0,0.0,2.2254255283862103,2.8642855262789193,2.9299376298967115,3.088110846224832,2.5609979674400107,1.8514223068697488,0.0,0.0,0.0,0.0,177.22895508832832,327.37807494513123,463.36677380735205,572.2363634017156,679.7315414893255,770.0196331636968,0.0,0.0,0.0,0.0,2.241812511500582,3.369482628396138,3.91505195512452,4.5092555127862655,4.511225897118607,4.164121838745395,0.0,0.0,0.0,0.0,0.46028312787514575,0.6036950706207275,0.6262782908403915,0.6686497310919217,0.5693628970309809,0.4264060762875284,0.0,0.0,0.0,0.0,288.6484858142789,121.91921375694649,7.619950859809153,54.87789679660556,-23.179300633442043,-2.897412579180255,233.77058901767333,145.09851439038854,10.517363438989408,0.8402512890581499,0.35490495032821257,0.022181559395513275,0.15974871094185003,-0.0674745865434663,-0.008434323317933288,99.15837017788843,41.882466472687014,2.617654154542937,18.852005371831353,-7.962701298056528,-0.9953376622570659,0.06249999999999997,0.12499999999999999,1.1061024134514055,0.3302108403234145,343.52638261088447,0.0,1.0,0.0,509.6870498163831,22.576249684488854,7.987935198678052,664.6796271249852,25.781381404513322,8.72711681547328,888.1957202157408,29.80261264076928,9.612497179883507,1.1397556797074895,1.1397556797074895,322.7245613226143,209.57772603625045,198.3087774312277,1.5398800599009885,1.62738415063112,1.0568252638687703,3.649119861807289,3.6155809890500277,5.455465416911917,0.508876563250574,4.463237866359629,8.375333797375681,7.343761210938857,18.811477655055068,15.539256709248214,17.035863088993892,13.358067367258547,4.114133285572465,4.209239483240275,0.822753342597919,1.3255334617282912E-13,4.1323032410754857E-48,2.4846749244301013E-104,2.8815282062930054E-182,6.445432698343994E-282,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.37450489646951945,6.800227881796439,0.4957386430579869,5.852388173962447,3.8539184191572535,2.138598392432239,0.771591998516931,0.15310707592283124,0.029646023038583064,0.005794719064578864,9.335840553573918E-16,2.9104149605847755E-50,1.749976865291507E-106,2.0294838765897284E-184,4.539570950707968E-284,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2089894438312532,6.905480069997738,1.6791669210180966,7.460788832555907,5.002461582478905,3.9573408250542297,2.7210608852215405,0.6208703922388875,0.30893437652838635,0.06038544040479442,9.728665653914177E-15,3.0328767831022815E-49,1.823610817559266E-105,2.1148786734358576E-183,4.730582933397724E-283,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.212888580867378,8.202401137529023,6.848682868866377,17.651336866895754,14.386391014772334,15.69152228459137,12.368303361190765,3.751090171812331,3.7503566019178707,0.7330584157800056,1.181026450101943E-13,3.681807791701387E-48,2.2138006247167115E-104,2.5673897540916474E-182,5.742764493603222E-282,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.781870482805896,7.04194461941856,2.5552128713072677,8.87276049911203,6.1580973896792965,5.568719321619162,4.2433116424231265,1.0431558959397667,0.6710467349109742,0.13116524566197613,2.1131961809084813E-14,6.58781364599487E-49,3.961126378702488E-105,4.59379908280778E-183,1.0275458263184237E-282,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.390213984696145,9.102492194133855,9.26293239591748,23.523424548529462,20.304545199123417,22.504242655209097,17.27163605269115,5.595196188481474,6.138780178435432,1.1999084265258457,1.9331659782110914E-13,6.026575916750435E-48,3.623664863623841E-104,4.2024380783252597E-182,9.400057838631916E-282,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.9753076887573333,7.4940690268499965,4.54648995789803,12.618767486750873,9.525267579818918,9.873917735335512,7.8952670115618435,2.187305038003539,1.8707731186596148,0.3656681522657417,5.891259829903515E-14,1.8365792182557712E-48,1.1042999664133782E-104,1.2806792027968912E-182,2.8646367548195527E-282,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0067075513830983,1.8863601240033208,0.8744932213828753,0.42090863542884793,0.39566565899170786,0.5013724730563208,0.4788497908778246,0.5553161318073656,4.767560896769295,7.189834397975633,15.267678415879482,0.22486144163083374,1.535538395741511,1.4892925264730212,1.388789455802199,0.3796791533460041,0.45715215587438307,0.4263018060522629,0.2769144470469323,0.2626024760293682,0.1043069360740799,3.2577611356212244,3.1610614876613936,7.2041182395350365,0.32518094288996907,0.6438238591503804,1.6944222173845276,1.5867719377407994,0.5762104392835512,0.43926484140152444,0.4113574033796581,0.3581192428570409,0.3413640696937371,0.24058850934578077,3.8574045944088784,4.579319950729694,9.985959441297355,0.27593336717177386,0.9400718218965588,1.9938640284891669,1.874074745376289,0.8622437347278968,0.42151947094364783,0.3961950182623282,0.4950132351114865,0.4727801341520738,0.5398224919110098,4.730182508593352,7.0717561955823705,15.023841946538687,0.22657173380896412,1.5076158611745702,1.786026052058942,1.6748548797406713,0.6638094331646416,0.4330085155554264,0.406055905181912,0.3976840946098355,0.37950656008743827,0.31950211820503205,4.124690364964255,5.2886998582231035,11.399066247941548,0.25859663110600756,1.0966927729023057,2.0469262469807727,1.924813538549454,0.9128428650314151,0.41905857540263175,0.39405895574888755,0.5215458689437538,0.49808649616962225,0.6052477621832064,4.884582650561642,7.565525677583485,16.046664808937656,0.219676296727279,1.6248801272965825,1.9972594409708557,1.87732287020318,0.8654822388201953,0.421357013159934,0.39605428373448304,0.49669050717250784,0.47438129829712716,0.5438972496687404,4.740064549994231,7.102882999431836,15.088073918999038,0.2261169453416256,1.5149690551383754 +UMLCN0246,L,5-butyldodecane,CCCCCCCC(CCCC)CCCC,Alkanes,,C16H34,NREL (2014),Unknown,PubChem,,45,0,-1.9773999999999958,3.9101107599999834,60.05869999999999,50.83096199999996,0,0,50,16,34,0,16,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2342.7721119999965,2575.602807000001,2911.7244390000033,2951.350935,2951.350935000001,2951.3509349999995,2709.2189169999992,2333.9946109999964,1940.4811529999934,7833.117738640897,10253.798482837583,13889.709141520625,15101.975174326932,15101.975174326933,15101.975174326928,14651.72034744848,13197.631057294975,11184.034367384711,349.07603199999994,355.10722800000025,681.2534040000014,943.273500000003,943.273500000003,943.273500000003,943.2260680000029,938.3886200000031,812.6188200000021,59.73923876486606,79.69400653999996,117.98302960182878,135.3229328909398,135.32293289093977,135.3229328909398,133.31008432124173,123.27005888973159,105.22700117093967,8315.909866264466,7108.081963588603,14972.538896633221,22184.327325578874,22184.327325578874,22184.327325578874,22173.39350020197,22544.000926561268,19586.090616484114,74.77777777777777,90.58333333333334,148.25,187.24999999999997,187.08333333333331,187.91666666666663,191.41666666666666,184.83333333333334,161.0,46.85544223999993,52.56332259183676,30.330462906250034,21.861858777777776,21.861858777777783,21.861858777777773,20.068288274074067,17.288848970370346,16.585308999999942,156.66235477281793,209.26119352729762,144.68447022417317,111.86648277279208,111.8664827727921,111.86648277279205,108.5312618329517,97.76023005403685,95.59003732807446,6.9815206399999985,7.247086285714291,7.096389625000015,6.987211111111133,6.987211111111133,6.987211111111133,6.986859762962984,6.951026814814838,6.9454600000000175,1.194784775297321,1.6264082967346931,1.2289898916857165,1.0023920954884429,1.0023920954884427,1.0023920954884429,0.9874821060832721,0.9131115473313451,0.8993760783840997,166.31819732528933,145.06289721609394,155.96394683992938,164.3283505598435,164.3283505598435,164.3283505598435,164.24735926075533,166.9925994560094,167.40248390157362,1.4955555555555555,1.8486394557823131,1.5442708333333333,1.3870370370370368,1.3858024691358024,1.391975308641975,1.4179012345679012,1.3691358024691358,1.376068376068376,0.070237570186851,-0.006041372837396777,-0.028798934269584586,-3.813673579006827E-4,4.570125374420619E-4,0.0035217067450646483,-0.00969610562312912,4.7339061088061407E-4,0.0015482499701309736,1317.198177919997,-55.98092256160217,-480.58362932640125,2.905584216000417,2.905584216000417,2.9055842160005305,-239.22643378399925,-16.46497722399863,-16.852388452798778,2449.3862582187403,-104.09891597429731,-893.6657803883377,5.40305792254167,5.4030579225418975,5.4030579225418975,-444.8517689559017,-30.61732822773269,-31.337735950739162,0.25803007999999966,-0.010966278400000067,-0.09414303359999995,5.69183999999937E-4,5.69183999999937E-4,5.69183999999937E-4,-0.04686281599999992,-0.0032253760000000163,-0.0033012672000000275,10.94989621915714,-0.46537058931414543,-3.9951018411365657,0.024154182836372606,0.024154182836372606,0.024154182836373495,-1.988694386861633,-0.13687370273948174,-0.1400942604509967,59.48001005032516,-2.5279004271397443,-21.701456608067968,0.13120590452263858,0.1312059045226457,0.13120590452263858,-10.802619472375305,-0.7435001256288338,-0.7609942462318735,4.368888888888889,-1.0115111111111132,-1.364933333333334,-0.006000000000000463,-0.1726666666666671,0.6606666666666658,-0.5860000000000003,-0.049333333333333514,0.6101333333333319,0.00140475140373702,-1.2329332321217912E-4,-2.999888986415061E-4,-2.8249433918569087E-6,3.3852780551263846E-6,2.6086716630108507E-5,-7.182300461577126E-5,3.5065971176341783E-6,1.323290572761516E-5,26.343963558399942,-1.1424678073796362,-5.006079472150013,0.02152284604444753,0.02152284604444753,0.021522846044448374,-1.7720476576592536,-0.12196279425184171,-0.1440375081435793,48.98772516437481,-2.124467672944843,-9.30901854571185,0.04002265127808645,0.04002265127808813,0.04002265127808813,-3.295198288562235,-0.22679502390913103,-0.26784389701486466,0.005160601599999993,-2.2380160000000138E-4,-9.806565999999994E-4,4.216177777777312E-6,4.216177777777312E-6,4.216177777777312E-6,-3.4713197037036976E-4,-2.3891674074074196E-5,-2.8215958974359208E-5,0.21899792438314278,-0.009497358965594805,-0.04161564417850589,1.789198728620193E-4,1.789198728620193E-4,1.789198728620259E-4,-0.014731069532308391,-0.0010138792795517165,-0.0011973868414615104,1.1896002010065032,-0.051589804635504985,-0.22605683966737466,9.718955890565821E-4,9.718955890566347E-4,9.718955890565821E-4,-0.08001940349907634,-0.0055074083379913616,-0.006504224326768149,0.08737777777777778,-0.020643083900226802,-0.014218055555555562,-4.4444444444447875E-5,-0.0012790123456790155,0.004893827160493821,-0.004340740740740743,-3.6543209876543345E-4,0.005214814814814802,-0.08776878448683903,-0.21355301574602753,-0.0020109916846082466,0.002409876969064153,0.018570343877721537,-0.05112862277603181,0.002496240337119919,0.00942010500392599,-0.043367346938777286,-0.19002757352941269,8.169934640524065E-4,8.169934640524065E-4,8.169934640524385E-4,-0.06726579520697161,-0.004629629629629255,-0.005467571644041848,-0.043367346938775864,-0.1900275735294118,8.169934640523377E-4,8.16993464052372E-4,8.16993464052372E-4,-0.0672657952069714,-0.004629629629629393,-0.005467571644042127,-0.043367346938775836,-0.1900275735294119,8.169934640521984E-4,8.169934640521984E-4,8.169934640521984E-4,-0.06726579520697165,-0.00462962962962966,-0.005467571644042285,-0.043367346938772436,-0.19002757352941024,8.169934640521714E-4,8.169934640521714E-4,8.169934640522014E-4,-0.06726579520697186,-0.004629629629630221,-0.005467571644042844,-0.04336734693879138,-0.1900275735294188,8.169934640514314E-4,8.169934640514755E-4,8.169934640514314E-4,-0.06726579520697214,-0.004629629629628193,-0.005467571644040595,-0.23625096020096797,-0.16271935401831136,-5.086469989827452E-4,-0.014637730304057909,0.056007686221317896,-0.049677856900644315,-0.004182208658302265,0.05968124788063736,1.6087853334838575,1.3760750938271555,0.9612716367078318,0.9577608916256939,0.9511925857078624,1.0589416795121975,0.939951780009999,0.933418016600229,1.5625000000000047,1.4073988970588278,1.0008169934640554,1.0008169934640554,1.0008169934640554,1.0675381263616592,0.9340958605664518,0.9238310708898972,1.5625000000000004,1.4073988970588236,1.0008169934640525,1.0008169934640525,1.0008169934640525,1.0675381263616561,0.9340958605664491,0.9238310708898947,1.5624999999999996,1.407398897058825,1.0008169934640534,1.0008169934640534,1.0008169934640534,1.067538126361657,0.9340958605664496,0.9238310708898946,1.5624999999999971,1.407398897058819,1.0008169934640492,1.0008169934640492,1.0008169934640492,1.0675381263616524,0.9340958605664459,0.9238310708898918,1.562499999999997,1.4073988970588198,1.0008169934640498,1.0008169934640498,1.0008169934640498,1.067538126361653,0.9340958605664466,0.9238310708898922,1.8247711088504577,1.1390911113936928,0.8100203458799593,0.8238668475189329,0.7546343393240645,1.0177178704645642,0.941562111450209,0.9266504943005451,148.68624687828412,74.34312343914208,108.30118277145577,148.68624687828415,9.29289042989276,74.34312343914208,2.8421709430404007E-14,0.16793391495783758,0.010495869684864849,-2.8546955845003827,100.9390902709817,6.308693141936356,7.383227629279195,148.68624687828412,74.34312343914208,108.30118277145577,148.68624687828415,9.29289042989276,74.34312343914208,2.8421709430404007E-14,0.16793391495783758,0.010495869684864849,-2.8546955845003827,100.9390902709817,6.308693141936356,7.383227629279195,148.68624687828412,74.34312343914208,108.30118277145577,148.68624687828415,9.29289042989276,74.34312343914208,2.8421709430404007E-14,0.16793391495783758,0.010495869684864849,-2.8546955845003827,100.9390902709817,6.308693141936356,7.383227629279195,148.68624687828412,74.34312343914208,108.30118277145577,148.68624687828415,9.29289042989276,74.34312343914208,2.8421709430404007E-14,0.16793391495783758,0.010495869684864849,-2.8546955845003827,100.9390902709817,6.308693141936356,7.383227629279195,148.68624687828412,74.34312343914208,108.30118277145577,148.68624687828415,9.29289042989276,74.34312343914208,2.8421709430404007E-14,0.16793391495783758,0.010495869684864849,-2.8546955845003827,100.9390902709817,6.308693141936356,7.383227629279195,148.68624687828412,74.34312343914208,108.30118277145577,148.68624687828415,9.29289042989276,74.34312343914208,2.8421709430404007E-14,0.16793391495783758,0.010495869684864849,-2.8546955845003827,100.9390902709817,6.308693141936356,7.383227629279195,167.50336320771572,83.63709827052446,122.54063438702796,167.30284237438227,10.456427648398892,83.63709827052446,-0.2291666666667993,0.1453198421507993,0.009082490134424956,-3.086109052556372,119.53303889370565,7.470814930856603,7.653748494811277,0,11.890000000000004,12.110287805853517,-0.17050182471424713,0.05001514168804211,5.144172144367236,9.822983361512865,15.0,49.0,49.0,49.0,15.0,0.0,0.0,0.0,0.0,0.0,37.16903799999999,3.610082938857538,3.4305078870725194,3.293101695484394,3.179299858882503,2.96065287272239,2.62419476245399,2.575531305869184,2.239621576752997,1.9798606027015628,1.8721446457745492,1.788607437769147,1.7019629862615562,1.5484224815474166,1.3347080341409367,1.320282095138329,1.0895052604538686,3.6348673517796906,3.460777267496098,3.3273669544944005,3.215430974946981,3.001507923925245,2.675100583813346,2.629759571142203,2.3025299628921827,1.9253200857788886,1.8085285382162721,1.718100380841112,1.627815362014261,1.4659997762762103,1.2383529383435252,1.2206852820188487,0.9781689011886419,3.7439997226196926,3.5930901605461774,3.476869652668498,3.373302759904991,3.180119574203633,2.895546442096974,2.8629811409495947,2.5719513325756855,1.7658289840224057,1.619336050071606,1.5064320677109455,1.4045326001147702,1.2153919253150267,0.9385603730719766,0.9081829248737057,0.6238145631454128,3.6531318831639874,3.48303719861622,3.3525575515822745,3.2420112534462193,3.031583209787303,2.712483610651162,2.6694946847050414,2.348592925444356,1.8906801164712677,1.7678354141597472,1.6728124380723255,1.5801166042565848,1.4127473212532067,1.1755170704245392,1.1555294161292213,0.9049169312873382,3.7972854196652657,3.657014099023383,3.548797435837996,3.449278176051311,3.265855776344731,2.999758986416748,2.972328687877051,2.6971640492790456,1.7163173279120048,1.5596949408133265,1.4392008584773353,1.3335079466632684,1.1351268386167432,0.8404075332662105,0.8048937202744857,0.5051067812443729,3.638405591052765,3.513211516374102,3.4236249155187077,3.313961415078711,3.1210185326463136,2.8095370258078565,2.793582233499666,2.4513744030420885,1.8846868840598625,1.721670312869397,1.5906917775149683,1.4940730071813395,1.3029782711562254,1.0478510889918562,1.005126832472889,0.765572087603104,0,0,0,0,0,3,12,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.4330127018922194,0.6123724356957946,0.7093056307728542,0.4330127018922194,0.6123724356957946,0.7093056307728542,12.0626316434282,7.846065214951231,5.353371151128521,3.647777478867205,2.455177354031202,1.7976856180299547,1.110598559653489,0.6670301360914135,0.7539144777142625,0.5230710143300821,0.3568914100752348,0.24318516525781367,0.1636784902687468,0.11984570786866365,0.08543065843488377,0.06063910328103759,12.0626316434282,7.846065214951231,5.353371151128521,3.647777478867205,2.455177354031202,1.7976856180299547,1.110598559653489,0.6670301360914135,0.7539144777142625,0.5230710143300821,0.3568914100752348,0.24318516525781367,0.1636784902687468,0.11984570786866365,0.08543065843488377,0.06063910328103759,25.21107266435981,48.0932265112892,45.33333333333329,45.92000000000002,29.575426347305438,384.7376419161677,0.5042214532871963,0.961864530225784,0.9066666666666658,0.9184000000000004,0.5915085269461088,7.694752838323354,6.343500000000007,75.91600000000007,74.34312343914208,108.30118277145577,148.68624687828415,9.29289042989276,74.34312343914208,0.16793391495783758,0.010495869684864849,-2.8546955845003827,100.9390902709817,6.308693141936356,7.383227629279195,254,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,12.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.2000000000000006,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.932101802918902,0.0,17.358151409477166,0.0,0.0,0.0,1.0430801209372635,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.296925334566027,0.0,1.3701368977343003,0.0,0.0,0.0,1.0430801209372635,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3175882341764376,0.0,1.5036848072562359,0.0,0.0,0.0,1.0430801209372635,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,25.333333333333336,1.5833333333333335,0.2,2.3175882341764376,0.2,1.0430801209372635,11.804606009627296,0.29025321239606966,0.31758823417643767,1.8715732203502768,0.29025321239606966,0.31758823417643767,1.8715732203502768,8.0,0.5,0.0,0.0,0.428,0.7,0.428,0.428,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.1875,0.0625,0.0,7.5,0.46875,7.5,0.46875,0.0,0.0,-7.5,-0.46875,0.0,0.0,21.79005,1.36188,21.79005,0.0,0.0,7.84606,0.49038,7.84606,0.0,0.0,0.06794,0.00425,0.06794,0.00425,0.0,15.0,0,0,0,0,0,0,1.0,0.904381457724494,1.228892707508147,2.276998938952607,2.9622921890824143,3.071468762472099,3.349158053396226,45.2190728862247,61.44463537540735,113.84994694763036,148.1146094541207,153.57343812360494,167.45790266981132,0.1602417615393904,0.21773990445302233,0.403447370448235,0.5248702464193467,0.544214568761841,0.5934166181385122,4.739474732050231,4.414963482266577,3.3668572508221173,2.68156400069231,2.5723874273026253,2.294698136378498,0.16107358756434734,0.21887020729951925,0.4055416935461296,0.527594884032556,0.5470396240851721,0.5964970846902244,6.693715826846142,10.58785082424998,15.601341508974892,15.910494533572592,18.031048526229764,17.28753441161687,63.36307636776333,53.502365091680275,43.36159997880905,43.01642037659771,37.11433719704779,38.036038215817975,16.0,13.066666666666666,11.324444444444444,16,0,12,3.2199999999999998,2.3630000000000013,0.3032700123503612,7.214326179108824,0.6223699000246825,0.0,18.826410502522783,5.144916486848134,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.103,0.084,0.08800000000000005,0.024999999999999994,7.529999999999999,15.0,15.0,15.0,15.0,13.0,11.0,9.0,6.0,4.0,134.0,2.772588722239781,2.772588722239781,2.772588722239781,2.772588722239781,2.772588722239781,2.6390573296152584,2.4849066497880004,2.302585092994046,1.9459101490553132,1.6094379124341003,4.90527477843843,1.0,0.45454545454545453,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,0.8,15.0,1.0,2,6.0,11.0,0.8333333333333334,1.5,0.666666666666667,0.375,0.24000000000000005,0.1666666666666667,0.12244897959183672,0.09375,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.1,0.04444444444444447,0.025,0.016000000000000004,0.011111111111111115,0.009419152276295133,0.008522727272727272,0.005486968449931412,0.006666666666666668,0.008264462809917356,0.23491553303109344,74.34312343914208,108.30118277145577,148.68624687828415,9.29289042989276,74.34312343914208,0.16793391495783758,0.010495869684864849,-2.8546955845003827,100.9390902709817,6.308693141936356,7.383227629279195,0.0,285.2922127146674,5.0,4.110873864173311,4.795790545596741,5.5093883366279774,6.22455842927536,6.953684210870537,7.682021510826875,8.418697944667139,9.153452509769135,9.894194505624535,93.74266185743163,3.4339872044851463,0.0,4.51085950651685,0.0,5.746203190540153,0.0,7.065613363597717,0.0,8.438366410870266,8.738575192110787,226.26605108799998,4.52532102176,30.68159070925184,1.91759941932824,0.0,0.0,0.0,568.0,15.0,9.383000000000001,60.0,1.2385102040816327,2.1392754729105374,2.8728876141902324,3.5838138101540977,4.625164356709639,5.5036955102375344,6.359224191532047,7.284132479962575,8.431819612509146,9.603525438394835,76.60959731308158,72.83511208854242,74.09130698231951,96.06825065408,116.74480203786814,125.348590733961,126.02662974048802,140.1595583512847,141.13771367447313,132.2017890394795,286.0634011664616,332.0971861588251,350.9058187048187,456.89896135871385,565.0003835728086,644.2455053149143,671.103063615812,759.2421193159837,825.9821366952766,830.4157443191674,9.012418738040823,15.231781754257582,20.12948408002903,25.189457567100977,32.4368049155452,38.577511299480385,44.32921846097417,50.76531291748007,58.67384374654846,66.4610532133945,2.1602278424289785,2.766553783530572,3.051728589402752,3.9505143807982046,4.935759442852656,5.734500846401343,6.118964588433363,6.95881071050105,7.7549828463338795,8.071367950543262,177.36899011076758,330.01514362467043,468.2296775556253,577.9164870457485,751.2542557498534,894.7931913956505,1052.6691562087149,1206.4364344517157,1402.5584087272725,1625.5117942605048,2.3524846938775505,3.3850098038857364,4.0812312171116565,5.199278927591258,6.639663961228964,8.00691952775306,8.885613481664361,10.277161024332852,11.96746010475978,13.11595396784857,0.44759984693877514,0.5838958145712416,0.6503318978583454,0.8405354444579426,1.0522738008048027,1.2259891642058316,1.3144904033529925,1.4960786410197986,1.6734553838191246,1.7527850492241313,622.4923162421823,541.3900345344757,15.53388608127155,157.6206411143766,-137.08481552254065,-9.551461358190142,464.87167512780564,678.4748500570164,25.085347439461692,0.7979515150620238,0.6939892863323223,0.019912354915765897,0.20204848493797598,-0.17572431560047086,-0.012243690183733922,485.6143217554232,422.3453809240595,12.118185810100638,122.96190448017317,-106.94164084596751,-7.451218767214607,0.03435539124739748,0.07492796890270703,0.41800639291195035,4.877714007660513,780.112957356559,0.0,1.0,0.0,931.2235371922488,30.515955452717662,9.765278826845284,1260.5827639730292,35.50468650717858,10.802487892701938,1758.6873412724767,41.93670637129812,12.070619108759391,3.2345027082680793,3.2345027082680793,4164.840288194145,3776.4031624281033,528.956661054749,1.1028590192992767,7.873689084261419,7.139343240139727,7.501699538050847,8.108225633110866,14.981119257404517,0.847644593932784,9.826987565235536,14.23426411608596,5.715437911309727,60.9177905628419,27.589445688266316,11.762745628909915,18.37939825135239,31.727723738511415,44.123322644295506,15.132948196656123,10.462959690229539,41.28233064771513,11.56532930340477,38.534817332336225,8.067784871857807,7.160684516311429,16.446151766172846,8.654905588053863,23.526634699799555,7.724878394271875,8.247002494685722,5.0195232661399976,7.3853928354541445,5.560263751741669,7.246754901239925,2.92641019088496,1.989911872358319,0.1302727431305852,2.2901557243846753,4.057018452412124E-12,0.7982359049367609,14.227180756576642,0.40262167553709777,16.46129499363042,1.3411624884024436,1.366162489905765,2.8656804175681603,3.343973336983367,11.116559531020805,1.5512694427496139,0.3928176980241155,4.503441749697699,0.8559326692902451,7.830875524102035,0.3202510301562708,1.1193196875337266,1.6166216834536182,0.4728564936218,4.476683062295259,0.9171060371036783,0.48843933637715486,0.16973684221667912,0.30745776889713694,1.6448282154345462,0.2621238798792882,0.18798944049385338,0.01421473295049514,0.010932692827776045,0.016129754022077263,2.857391268360948E-14,2.5942479816207844,14.227666565346919,1.3504726799959221,20.195469480442522,3.3587108579867473,2.7298652958090512,5.278739457032765,7.0999807580842464,15.398228448513853,3.3562992689044253,1.5064680140287678,10.013971573400351,2.1347652675767694,12.307529071429405,1.2670257682577704,1.8936614634045148,3.4657531626948574,1.3617706486652914,7.469408834817831,1.9574799778089704,1.6816251104313944,0.7109664255725983,0.9501617783086688,2.3998239556895014,1.0741874374754474,0.6223376454971491,0.14625931808735748,0.035292194153486965,0.16808447301576407,2.977622007656894E-13,9.25764499052382,14.233490841911497,5.34186370389574,56.30695894277406,24.800862124169203,10.857955719040941,17.163053235809905,29.26921263389814,41.23392159848468,13.959295806545038,9.513266745241761,38.32434270888834,10.588776219218868,36.02166232041984,7.368963977734937,6.628517783151807,15.12159947298102,7.877637886110777,22.04351461694496,7.18456277803095,7.633882013685865,4.563882235833788,6.66834678624166,5.304917147681373,6.602072268881578,2.7146789520388848,1.7730063298519423,0.1229667079445091,2.0404875195109144,3.6147304003952208E-12,3.8410939857924444,14.228285118313043,2.0417044388390773,24.344521891712727,5.735494570448766,3.891207428158755,7.158994665608204,10.28340369532698,19.066612582159852,4.882601218756176,2.550617817126373,14.389676368873841,3.2820053363868817,15.912300031030055,2.105401257174083,2.5614588182076456,5.084864401088518,2.203941699185683,9.789795541350474,2.7753599257627553,2.616657976346051,1.215736404347749,1.629504199424803,2.93123710881231,1.8138485662668602,0.9575068788458555,0.3174397616335302,0.052014331233587695,0.36510193595153506,6.467792890218181E-13,11.953864977498016,14.237512833448681,7.153487192079638,80.13471121636603,39.25602717596177,15.417430965856664,23.185687822193017,41.64898687813586,55.807875313120014,19.866987762510377,14.357575670305097,53.036504894941274,15.545459434477612,48.55917004847769,10.91013245059964,9.315359100258155,21.823503240086367,11.846573734498376,29.377772068470176,9.865704159498094,10.673966988219437,6.886794922809716,10.362456998172213,6.523462658402867,9.880212231937733,3.7604132385536757,2.9019649116538893,0.15732384239684083,3.33997689157796,5.916780127867774E-12,6.293265123410843,13.33931870638108,3.2718766045143957,33.92007373667134,11.918578827820214,6.445861862666817,10.64827584618402,17.533930595881724,26.97008698774706,8.078906460814064,5.161644374479209,23.451080131940426,5.849029371366503,23.45415008771216,4.162624748342821,4.050830420740103,8.920524904257533,4.237186284457212,15.220924790674685,4.415927336631391,4.936671361966648,2.3940036250152,3.5796144099129705,4.830366271219255,3.438505419123358,1.981050693227031,0.794060729400282,0.10392848563670269,0.9135247210841916,1.6183120696602377E-12,18.057053250505525,2.605121243140009,0.7745756000794696,0.8423409878622978,0.12152594174723266,0.4975030122583045,0.343144389656505,0.483236257741213,21.436750093725003,63.04522921876449,120.91864527902254,0.7635114817934467,1.3238836596560226,16.379545999203092,2.0288749879862857,0.3106513601658974,0.8750191086000731,0.10838544508712983,0.4091896386046194,0.20726482810507288,0.0775619123434425,18.719072347355276,38.95065221053082,67.9933064618936,0.8125286629001098,0.6940163790531347,17.05860615568819,2.2621686640935903,0.4984807174221957,0.8607087245868748,0.11413994132358457,0.44389756129704955,0.25812665783910177,0.19990223951875488,19.819255537203976,48.220477991829355,87.27582740787938,0.7910630868803122,0.9019264586549062,18.016791324460023,2.591293269006874,0.7634438762919724,0.8430277389824566,0.12124978672787042,0.49528212365249324,0.33948001963664054,0.4694266185888847,21.37152846975887,62.41990607316394,119.43417853946855,0.7645416084736849,1.3041887618780184,17.355780049446004,2.3642517329392994,0.5806658072958034,0.8549351554435247,0.11646160051864692,0.459532297978563,0.28215649859337566,0.27135501149392577,20.300697589681107,52.484181233233706,96.61159035589826,0.7824027331652872,1.0130438080658644,18.182700100886397,2.648273971129717,0.8093139048948046,0.8402244979496765,0.12237702076586458,0.5044658501698269,0.35470760255698625,0.527621186561943,21.64028797691092,65.01156837102093,125.62256380281977,0.7603367469245148,1.3867946392887562,18.077621796196542,2.599898727479198,0.7654673176431483,0.843055171694051,0.12124703640737067,0.49864153977723213,0.3417580157039787,0.47206773451414785,21.44298784131889,62.82795207455082,120.2478930549032,0.7645827575410764,1.3124672899953587 +UMLCN0247,L,1-dodecene,CCCCCCCCCCC=C,Olefins,,C12H24,NREL (2014),IQT,PubChem,,56.8,0,-1.2896,1.6630681600000001,43.7905,37.12303199999997,0,0,36,12,24,0,12,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1755.5549879999974,1877.4754429999991,1976.4548259999974,1825.335296999995,1630.6106959999954,1433.853966999996,1237.0972379999964,1040.3405089999983,843.5837800000002,5828.212687334278,7412.364712135072,9572.9321990277,9706.634036663805,8762.003180570518,7755.204835615378,6748.406490660256,5741.608145705135,4734.809800750015,251.72932800000018,253.768844,468.80336800000015,634.7454120000007,585.2974400000002,522.4125399999997,459.52763999999974,396.6427399999999,333.75784000000004,44.137509716376044,57.402963440000015,81.55137309303693,88.3156144036578,80.18331135395987,71.161782494564,62.1402536351681,53.11872477577209,44.09719591637607,5959.555921661977,5069.679062099602,10256.142588869941,15032.592498344462,13923.472647354363,12444.517492315767,10965.56233727717,9486.607182238575,8007.652027199978,61.25,71.0,108.25,131.0,120.75,108.5,96.25,84.0,71.75,48.76541633333326,53.64215551428569,29.946285242424203,20.058629637362582,19.41203209523804,19.118052893333278,18.74389754545449,18.251587877192954,17.574662083333337,161.8947968703966,211.78184891814493,145.04442725799547,106.66630809520665,104.30956167345855,103.40273114153838,102.24858319182206,100.72996746851113,98.64187084895865,6.992481333333338,7.2505384,7.103081333333336,6.975224307692315,6.967826666666669,6.965500533333329,6.962539999999996,6.958644561403506,6.953288333333334,1.2260419365660011,1.6400846697142861,1.235626865046014,0.9705012571830528,0.9545632304042841,0.9488237665941865,0.941518994472244,0.9319074522065278,0.9186915815911681,165.54322004616603,144.84797320284576,155.39609983136276,165.19332415763145,165.7556267542186,165.92689989754356,166.14488389813894,166.43170495155394,166.82608389999953,1.7013888888888888,2.0285714285714285,1.6401515151515151,1.4395604395604396,1.4375,1.4466666666666668,1.4583333333333333,1.4736842105263157,1.4947916666666667,0.07039372410187231,-0.007612276215597569,-0.0333850282427722,0.0016767969179352638,0.0012150779356365025,9.047020086838014E-5,9.707361467805632E-7,-1.7165326877646454E-5,-7.055355308332274E-5,968.5280719999993,-53.807115111112715,-443.908699666668,-26.903557555555548,2.0961010704922955E-13,2.0961010704922955E-13,2.6645352591003757E-13,2.6645352591003757E-13,3.232969447708456E-13,1801.0193075137793,-100.05662819520943,-825.467182610483,-50.02831409760509,1.3500311979441904E-13,2.1316282072803006E-14,-9.237055564881302E-14,-9.237055564881302E-14,-2.0605739337042905E-13,0.1897279999999998,-0.010540444444441858,-0.08695866666666434,-0.005270222222222454,-4.172009959724221E-16,-4.3107878378023656E-16,-4.3107878378023656E-16,-4.44956571588051E-16,-4.44956571588051E-16,8.051394278792,-0.4472996821550897,-3.690222377779646,-0.22364984107755692,-3.552713678800501E-15,-3.552713678800501E-15,-3.552713678800501E-15,-3.552713678800501E-15,-3.552713678800501E-15,43.73530150759196,-2.429738972644531,-20.045346524313413,-1.214869486321934,9.614531393253856E-14,9.614531393253856E-14,9.259260025373806E-14,8.903988657493755E-14,9.08162434143378E-14,6.243055555555554,-0.3682484567901239,-1.660879629629632,-0.04494598765432237,0.023148148148147737,-0.020254629629630455,-0.06365740740740819,-0.10706018518518588,-0.1504629629629634,0.0019553812250520087,-2.1749360615993054E-4,-5.058337612541243E-4,1.842633975753037E-5,1.4465213519482173E-5,1.2062693449117352E-6,1.470812343606914E-8,-3.011460855727448E-7,-1.4698656892358905E-6,26.903557555555537,-1.5373461460317919,-6.725889388888909,-0.2956434896214895,2.4953584172527326E-15,2.7948014273230606E-15,4.0371746350005696E-15,4.674623261579607E-15,6.735353016059283E-15,50.02831409760498,-2.858760805577412,-12.507078524401257,-0.5497616933802757,1.6071799975526076E-15,2.842170943040401E-16,-1.399553873466864E-15,-1.6205360640142635E-15,-4.292862361883938E-15,0.005270222222222217,-3.0115555555548166E-4,-0.0013175555555555202,-5.7914529914532456E-5,-4.966678523481216E-18,-5.747717117069821E-18,-6.531496723942978E-18,-7.806255641895632E-18,-9.269928574751063E-18,0.22364984107755553,-0.012779990918716849,-0.05591246026938858,-0.0024576905612918344,-4.229421046191072E-17,-4.7369515717340015E-17,-5.3828995133340925E-17,-6.232831015439475E-17,-7.401486830834377E-17,1.2148694863219989,-0.06942111350412945,-0.30371737158050627,-0.013350214135405868,1.144587070625459E-15,1.2819375191005141E-15,1.4029181856626978E-15,1.5621032732445185E-15,1.8920050711320377E-15,0.17341820987654316,-0.010521384479717826,-0.025164842873176243,-4.939119522453007E-4,2.75573192239854E-4,-2.7006172839507276E-4,-9.64506172839518E-4,-0.001878248862897998,-0.003134645061728404,-0.11122823691535941,-0.25868805262803435,0.009423400164354279,0.007397643658513409,6.168972727451913E-4,7.5218700310871285E-6,-1.5400888671452545E-4,-7.51702875328976E-4,-0.05714285714285889,-0.25000000000000094,-0.010989010989010992,9.275198687384917E-17,1.0388222529871106E-16,1.5006099571269898E-16,1.7375483714101988E-16,2.503517611806861E-16,-0.05714285714285684,-0.2500000000000002,-0.010989010989011014,3.2125407912347553E-17,5.681124767657252E-18,-2.797523559831222E-17,-3.239237806120363E-17,-8.580865534482306E-17,-0.05714285714284318,-0.24999999999999353,-0.010989010989011483,-9.42404003865133E-16,-1.0906024214376041E-15,-1.2393209334518228E-15,-1.4812004717713939E-15,-1.7589255602285302E-15,-0.057142857142854414,-0.24999999999999864,-0.010989010989011058,-1.891090566312733E-16,-2.1180214342702612E-16,-2.4068425389434786E-16,-2.7868703082503436E-16,-3.3094084910472827E-16,-0.05714285714286968,-0.2500000000000054,-0.010989010989010402,9.421481760075159E-16,1.0552059571284179E-15,1.1547892193012551E-15,1.2858198274234094E-15,1.5573731108022622E-15,-0.060670586365803365,-0.1451107290929318,-0.0028480973975969293,0.0015890672175432744,-0.0015572858731925001,-0.005561735261401628,-0.01083074761430837,-0.01807563959955512,1.471534647554662,1.2996472049813852,0.8310174711149687,0.8435192808658133,0.8673702466819124,0.8908775152643182,0.9212024718376826,0.9632746824387823,1.5000000000000022,1.4251893939393963,0.961538461538463,0.9375000000000013,0.9333333333333347,0.9280303030303044,0.9210526315789487,0.9114583333333346,1.5000000000000009,1.4251893939393947,0.9615384615384621,0.9375000000000006,0.9333333333333338,0.9280303030303035,0.921052631578948,0.911458333333334,1.4999999999999991,1.425189393939393,0.9615384615384609,0.9374999999999994,0.9333333333333328,0.9280303030303024,0.9210526315789469,0.9114583333333329,1.5000000000000004,1.4251893939393931,0.9615384615384611,0.9374999999999998,0.9333333333333336,0.9280303030303034,0.9210526315789477,0.9114583333333336,1.5000000000000002,1.4251893939393931,0.961538461538461,0.9374999999999997,0.933333333333333,0.928030303030303,0.9210526315789476,0.9114583333333336,1.441601779755284,0.9237536656891498,0.7161803713527853,0.7424916573971081,0.7942157953281427,0.8600465163312775,0.9466658860722442,1.0657675194660736,97.02270756408379,48.511353782041866,77.70594486806048,97.02270756408376,8.085225630340313,48.511353782041866,-4.973799150320701E-14,0.03189205047513188,0.002657670872927657,-4.1344782019844315,68.60266669677655,5.716888891398046,5.073997688528584,97.02270756408379,48.511353782041866,77.70594486806048,97.02270756408376,8.085225630340313,48.511353782041866,-4.973799150320701E-14,0.03189205047513188,0.002657670872927657,-4.1344782019844315,68.60266669677655,5.716888891398046,5.073997688528584,97.02270756408379,48.511353782041866,77.70594486806048,97.02270756408376,8.085225630340313,48.511353782041866,-4.973799150320701E-14,0.03189205047513188,0.002657670872927657,-4.1344782019844315,68.60266669677655,5.716888891398046,5.073997688528584,97.02270756408379,48.511353782041866,77.70594486806048,97.02270756408376,8.085225630340313,48.511353782041866,-4.973799150320701E-14,0.03189205047513188,0.002657670872927657,-4.1344782019844315,68.60266669677655,5.716888891398046,5.073997688528584,97.02270756408379,48.511353782041866,77.70594486806048,97.02270756408376,8.085225630340313,48.511353782041866,-4.973799150320701E-14,0.03189205047513188,0.002657670872927657,-4.1344782019844315,68.60266669677655,5.716888891398046,5.073997688528584,97.02270756408379,48.511353782041866,77.70594486806048,97.02270756408376,8.085225630340313,48.511353782041866,-4.973799150320701E-14,0.03189205047513188,0.002657670872927657,-4.1344782019844315,68.60266669677655,5.716888891398046,5.073997688528584,120.83363955057368,60.1083033587936,97.36328358175781,120.48178769872182,10.040148974893484,60.1083033587936,-0.5277777777777999,0.06098751259362534,0.005082292716135445,-3.356503376814017,68.34234974297948,5.695195811914957,5.069435555069083,0,11.790000000000004,12.210099453278836,-0.30694804174945756,0.11333782838782819,5.122884012853023,7.545369788081315,11.0,35.0,34.0,34.0,10.0,1.0,1.0,0.0,0.0,1.0,26.236967999999994,3.5344378226192594,3.4143711470060936,3.211369071601636,2.935422760957954,2.60724466296869,2.2551900028780967,1.9117200914606864,1.6078293982962282,1.938701990622297,1.8411209363734,1.6910073737959348,1.5041599442674642,1.2974369101321515,1.0890407975019036,0.8989666263528424,0.7429361567375866,3.5618993686079174,3.4430460385931356,3.2438758070359963,2.974654165420343,2.6559924657164853,2.31611008870047,1.9871012147157225,1.6989000931553813,1.8799373853306365,1.778635052476974,1.6215965181998697,1.4238202937031843,1.202760903929,0.9787310140219563,0.7737335928870376,0.6049283986752868,3.682315109602926,3.5694254452588496,3.386900198288869,3.1466617754409643,2.86845311298279,2.57866779167523,2.306334420490693,2.0759218261003585,1.706281711986648,1.5946931931286847,1.4154096552611855,1.1807321985286765,0.9101556121912361,0.6294927737619378,0.3669702291174029,0.14598073690582572,3.5821134846333136,3.464189521210926,3.267838638950833,3.0035596074481585,2.6918669996485307,2.3608132382700786,2.042130871373043,1.7648974034403204,1.8424481467797553,1.738820822475469,1.5771935266985395,1.3720156979536589,1.1411719471352124,0.9062879067799184,0.6906974807471167,0.5126478216317003,3.740738296142367,3.6310785426104215,3.456393792816683,3.2295375908809016,2.969617939133164,2.701513023643512,2.4522414662185237,2.2437242148816656,1.6518604391088363,1.5373689123119094,1.350681107127623,1.1032524741906675,0.8151095311640852,0.5132890879907466,0.22777160135750005,0.01556609004015096,3.6955398383634375,3.4915329956476997,3.3222871597081722,3.0669106049966737,2.7553362431594746,2.4240839373273784,2.1101286165111524,1.8430713192336037,1.8699147343186795,1.727020811876511,1.5140214891457502,1.2639164071872,1.011679129779068,0.7804809442776708,0.5745718041074016,0.39736403122135144,0,0,1,1,0,1,9,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.071067811865477,5.914213562373096,3.8284271247461907,2.457106781186548,1.5606601717798214,0.9785533905932737,0.6035533905932737,0.36427669529663687,0.7559223176554565,0.5376557783975542,0.3828427124746191,0.2730118645762831,0.19508252147247768,0.13979334151332481,0.10059223176554562,0.07285533905932737,8.648418081055103,5.523603362114274,3.552224003342543,2.2618016810571366,1.4225586110779975,0.8809008405285684,0.5345026102423618,0.3154504202642842,0.720701506754592,0.5021457601922067,0.3552224003342543,0.25131129789523743,0.1778198263847497,0.12584297721836693,0.08908376837372696,0.06309008405285685,18.50193364543048,34.65404224326293,32.70588235294119,33.11999999999999,21.582653892215586,276.33906107784435,0.5139426012619578,0.9626122845350813,0.9084967320261441,0.9199999999999997,0.5995181636726552,7.676085029940121,4.629390000000004,57.154000000000046,49.62873849166897,78.97647876215954,99.25747698333791,8.271456415278161,49.62873849166897,0.0,0.0,0.0,68.7263116082826,5.72719263402355,5.076158542497369,182,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,10.0,1.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,9.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.743876600992402,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3712558403947744,0.3104919515058855,0.0,0.0,2.21825220809934,0.2902777777777778,0.0,0.6817477919006598,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.267939421138826,3.7189927354091314,12.488183977868772,0.0,2.0248838655832704,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0248838655832704,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3712558403947744,0.3104919515058855,0.0,0.0,0.20380222681359045,0.2902777777777778,0.0,0.3104919515058855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.267939421138826,3.7189927354091314,1.2033333333333334,0.0,2.0248838655832704,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7189927354091314,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3712558403947744,0.3104919515058855,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.3712558403947744,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.267939421138826,3.7189927354091314,1.446358418367347,0.0,2.0248838655832704,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.5,1.7083333333333333,0.3712558403947744,3.7189927354091314,0.20380222681359045,1.2033333333333334,8.74866167948814,0.29666666666666663,0.7189927354091314,2.0236320442624556,0.29666666666666663,0.7189927354091314,2.0236320442624556,6.0,0.5,0.0,0.0,0.43333,0.7,0.42632,0.42632,0.7,0.00702,0.00702,-0.0,0.0,0.71429,0.0,0.0,0.16667,0.0,0.0,6.5,0.54167,5.5,0.45833,1.0,0.08333,-4.5,-0.375,0.0,0.0,12.40958,1.03413,13.87794,1.46835,0.12236,5.34933,0.44578,5.91421,0.56488,0.04707,-2.1E-4,-2.0E-5,-2.1E-4,-2.0E-5,0.0,11.0,0,0,0,0,0,0,0.8333333333333334,0.9182958340544896,1.8089929630946058,2.7181288207064678,3.266332639970623,3.524944975084712,3.3315691829038663,33.058650025961626,65.12374667140581,97.85263754543284,117.58797503894243,126.89801910304963,119.93649058453919,0.177622660637882,0.3499070030203399,0.5257578823577055,0.6317949755672234,0.6818174294794062,0.6444134454512244,4.251629167387822,3.3609320383477064,2.4517961807358444,1.9035923614716892,1.6449800263576,1.8383558185384459,0.177622660637882,0.3499070030203399,0.5257578823577055,0.6317949755672234,0.6818174294794062,0.6444134454512244,6.732876570223358,13.437938474682447,16.946578312531503,18.340244217583294,18.339891474005064,16.300196783474924,47.39850002884626,37.014416813488346,30.965666336011,27.371847579320278,27.25052871798883,31.971682734326084,12.0,11.0,11.11111111111111,12,2,12,2.7800000000000002,1.7564000000000013,0.09090909090909091,4.4162504264120175,0.0,0.0,15.159595654909138,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.10799999999999998,0.1,0.16700000000000004,0.167,5.654999999999999,10.0,9.0,8.0,7.0,6.0,5.0,4.0,3.0,2.0,77.0,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,4.477336814478207,1.12987012987013,0.45454545454545453,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,0.8181818181818182,10.0,0.9090909090909091,1,6.0,11.0,0.8333333333333334,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.045454545454545456,0.022222222222222233,0.013888888888888888,0.010000000000000002,0.007936507936507936,0.006802721088435375,0.00625,0.006172839506172837,0.006666666666666668,0.008264462809917356,0.13365885457335677,49.62873849166897,78.97647876215954,99.25747698333791,8.271456415278161,49.62873849166897,0.0,0.0,0.0,68.7263116082826,5.72719263402355,5.076158542497369,0.0,213.47181551040018,4.584962500721156,3.7612001156935624,4.394449154672439,5.043425116919247,5.6937321388027,6.35088571671474,7.007600613951853,7.668093709082406,8.327726166461412,8.989818381366925,80.23693111366529,3.1354942159291497,0.0,4.143134726391533,0.0,5.2832037287379885,0.0,6.484635235635252,0.0,7.720017940432244,8.070593539949519,168.187800768,4.671883354666666,22.82859467638218,1.902382889698515,0.0,0.0,0.0,286.0,9.0,6.8020000000000005,42.0,1.2347714285714282,2.1444451432293863,2.8747136241960103,3.6162211446254355,4.952849040601989,5.9771296367003135,7.297643144517259,8.410216756426534,9.714305699439203,10.865584122503503,77.40690014139996,71.70032239351902,70.47724066958553,91.16393428712522,113.14034800216339,133.70750673954814,152.65592748080707,168.45478040007933,179.26065779143556,180.26002385144554,287.60305857530335,332.13168018480206,339.0298917759669,446.7522551299178,567.0217938149617,682.3321820205938,795.3484337095753,897.9171932300937,986.8667642104559,1044.9411665752057,8.988503611085711,15.27884866114259,20.10823578932867,25.393790473292658,34.63226481801434,41.81473722040656,50.93710064529574,58.67117333395186,67.6284001654961,75.50557189693338,2.166745797530285,2.7776185975807026,2.974819779816556,3.90582584237882,5.041011542380672,6.090287521428171,7.182730315532162,8.171836114528412,9.112144536012387,9.829446071093848,176.62864362497174,329.8980226704989,471.073012760097,584.6972097213309,812.1028307817961,978.2264409828641,1203.1065989748854,1388.6439996029305,1614.4476512289891,1815.7487141618537,2.5723714285714276,3.604491075023024,4.259953919065964,5.5577685269765045,7.432841288951722,9.109974140052925,11.090619381453909,13.00229939495997,15.221959750821858,17.72092928905677,0.448758642857143,0.5865008620438171,0.635024903319264,0.8325363300945705,1.0782024044602248,1.3031963989593196,1.5404071458599766,1.754670455185196,1.9616205336184411,2.122526304188543,543.8926787423255,390.44647063579913,16.58798262946597,192.81168209741475,-138.41451395589232,-13.105246312444045,351.0809966449108,528.8609845916915,29.693228941910014,0.738278076869755,0.5299907145801941,0.02251647134348164,0.26172192313024495,-0.18788339164725326,-0.017789016882574022,400.6881082582791,287.6436175918788,12.22043914066144,142.04520702201114,-101.97057603481896,-9.654692108256453,0.0788854617015417,0.1429644231750335,1.6281857560565076,3.7137276486210973,736.7043608397403,0.0,1.0,0.0,703.5472233408807,26.524464619307224,8.894012820177146,936.6730261846004,30.605114379537948,9.784290484759065,1135.1801468628391,33.69243456419911,10.43169616015306,3.6250659803215077,3.6250659803215077,3183.0239917151166,3146.7411236542134,69.61681432955538,1.0115302996449764,45.722057557060374,45.20087789076387,5.756058046313056,8.108225633110866,15.148365326369154,0.8682713101259878,6.938599958179598,9.605983291889984,4.608838004633008,42.783040652597855,18.285950422106822,1.0274491237459582,8.79828189002785,8.952189783999437,30.05585516113572,0.7387025238391411,2.0658710069974875,25.049507432810515,3.580523388416493,27.690307515424692,1.3534885599201465,2.540730500546733,10.215781861422103,3.735823166732,16.999038296004404,2.143552740141405,2.6555101189549237,3.044657458045167,5.433879707572075,5.025117237366954,3.7025722605555234,1.5660115369319365,0.17412344311419214,2.646367615242543,0.22133457116600316,8.533190877004287E-6,0.5823193212391987,9.605543158783655,0.3169660677216197,10.000777534488822,0.13263083635120407,0.08488188892112246,1.1489369320396987,0.24206966979216327,8.201321105360119,0.02373793944418795,0.06482637723592177,1.6854326405187119,0.13508096784442497,6.1491230222197375,0.057193878714670944,0.10119442944113816,0.36548209996230835,0.11234195140233676,3.5433571838243996,0.0931407091095519,0.17050867981233941,0.06660232727048004,0.1264386484821576,1.1047516690526915,0.15716000572331465,0.14922924868683551,0.014277348127285275,0.09146684727789384,0.0015588774946071002,6.009996106552706E-8,1.8797717103332938,9.605573442171385,1.0692126550699932,12.327324586149247,1.3519545833200284,0.2675965091606341,2.701283735101755,1.1169736469622147,11.076135651599422,0.10183709206039414,0.2503342364245687,5.648200027886715,0.5450495554237103,9.596367557287776,0.22178910973788907,0.32703728342671484,1.494030741997944,0.4952165446693766,5.798080805681144,0.3578334676561279,0.45242341870755337,0.33830633018019296,0.6253348941687215,1.7131368804528957,0.6085241148823084,0.31089385218559595,0.04630096639374671,0.3813383050460407,0.01624470529730761,6.262879316163365E-7,6.549473012252155,9.60593527790534,4.302290689798146,39.23193743476399,16.295097640592612,0.9663201501873449,8.326793738437688,8.099504888715654,28.15680475272023,0.6709332316469624,1.8644968678602452,23.33391970686315,3.2658290913966335,26.035574308915756,1.2387514655305398,2.295117350813508,9.30069314120018,3.3877880809062053,16.001284620866063,1.9636044711617096,2.423666871314741,2.7434135184071664,4.902197391799359,4.717246867447443,3.389183288393475,1.4341609445426615,0.16412397097323506,2.4080124786720276,0.19720511811109687,7.60291944374652E-6,2.770432100592843,9.605611914522086,1.6223698803570583,15.220488544246919,2.9271732299941897,0.39589958381770013,3.7696075637849065,1.9856923079618478,13.520569978330084,0.1755929196051355,0.443877445540192,8.60793416453016,0.913572818626467,12.244799370885648,0.36447247173632474,0.5628689284117419,2.5306599935989693,0.8639759456208216,7.491923606180254,0.585215043786312,0.7128533094873466,0.6246415714388832,1.141351469262058,2.187737001243702,0.9992318748767366,0.45973808845914765,0.0684636285960811,0.6491041670417372,0.03528567060042375,1.3603810762149455E-6,8.379361891025289,9.606184988729723,5.793578603382504,57.6844967227548,26.6558105920978,1.2576718039899453,10.547624489897622,12.472018247768304,37.724306721134965,1.0168715354337645,2.901021606790138,31.725443135691098,4.863514111568635,34.19853950720392,1.8184784185321878,3.5594288228438806,13.958264685503995,5.167740327150984,20.890842395830308,2.871613997109711,3.6044297088825683,4.29506373438425,7.63722565930148,6.24208211331765,4.9722989618942774,2.105420986143343,0.2113897514144466,3.6219328644105477,0.32279567063404024,1.2444856931410554E-5,4.142080574591068,7.99639922787415,2.568419678458737,20.196846298025555,6.283788231606069,0.520420455617607,5.829320584004917,3.4664387870140967,16.93355607067913,0.2944247344630214,0.7987364699794908,12.561577686904132,1.4717068580248471,16.605734454026752,0.5699897451024709,1.003301631756681,4.295882809442811,1.4718095222918735,11.22894735599089,0.9084146196167019,1.156013810162631,1.1794318763216067,2.0826612518134224,4.109788678735529,1.8529243812460061,1.0505452207917891,0.11837770148015399,1.2343331243348947,0.07584099529121095,2.923925011989572E-6,19.409824995472754,0.8192484437681379,0.4593768375000001,0.9381961788261328,0.03959931424584193,0.5330181195921481,0.6455587834697785,0.5555477626595599,20.68845027674089,25.19423670342669,53.187453484863234,0.9072942682391993,1.7341246657214864,18.68285379110677,0.3147404653942578,0.09903440198189196,0.9783325698595313,0.01648146754188713,0.4939124629902748,0.09540947244101021,0.025819949147814384,19.09662865848292,7.761665483393023,27.44064119374678,0.9674988547892971,0.6151418845790994,18.971442576529032,0.5152552389774918,0.2421507210742576,0.9616092161360871,0.02611684295827591,0.5092512628743174,0.25571865696502044,0.15436710125908187,19.72884853658078,14.493853105898296,36.58975767455537,0.9424138242041306,0.9193370210984197,19.391813158439003,0.806772325970031,0.4504557740731401,0.9391144564870909,0.03907069175129991,0.5320305086034439,0.6261047133604672,0.5341798872762648,20.649041258482175,24.743347666172053,52.43966960191537,0.9086716847306363,1.6923151092401758,19.100138468331004,0.604572934640375,0.30594355507763454,0.9544984163873276,0.03021255105881449,0.5161701086467869,0.35197861107376716,0.24641425810333206,20.01065495804901,17.57595622424026,41.11947197902789,0.9317476245809911,1.1145629778238861,19.46621981037678,0.8583032755201758,0.4873063052713227,0.935344002898538,0.04124112587067459,0.5361164763269408,0.7083553408419885,0.6251543784644683,20.811829391168278,26.612188476632273,55.5658927415313,0.903016004347807,1.8696261956333977,19.538721915553815,0.8071780468876257,0.4511564098815788,0.9394945883570421,0.03881212958396498,0.5401215645750372,0.626705653227539,0.5358428990246616,20.79705637232302,24.950410577342005,52.862757280383356,0.9092418825355632,1.702670116827238 +UMLCN0248,L,"2-methyl-1,3-butadiene",CC(=C)C=C,Olefins,,C5H8,Marquardt (2015),IQT,PubChem,,13,0,1.8614000000000006,3.4648099600000024,24.5764,14.134344000000002,0,0,13,5,8,0,5,0,0,0,0,0.0,0.0,0.0,0.0,0.0,729.4491170000001,673.9131879999999,691.1005959999999,460.0596019999998,120.14049600000001,10.16064,0.0,0.0,0.0,2366.254464194092,2611.960537961468,2882.1158764866395,2515.513921547782,1374.5507360749,310.8374443093026,0.0,0.0,0.0,91.45029199999998,87.10312,127.81307199999999,128.164808,137.961792,67.18463999999999,0.0,0.0,0.0,17.501403238791998,20.063954480000007,23.400563314244994,22.056646149698004,14.912640743339004,4.4461290484900005,0.0,0.0,0.0,2113.3129966439924,1732.1578060632005,2809.8686138973453,2767.1396842090985,3412.1971016828393,1849.1765202424901,0.0,0.0,0.0,36.77777777777778,37.66666666666667,43.00000000000001,48.33333333333333,36.0,10.0,0.0,0.0,0.0,56.111470538461546,56.15943233333332,38.39447755555555,25.558866777777766,6.007024800000001,1.016064,0.0,0.0,0.0,182.01957416877633,217.6633781634557,160.1175486937022,139.75077341932123,68.727536803745,31.08374443093026,0.0,0.0,0.0,7.034637846153844,7.258593333333334,7.100726222222222,7.120267111111111,6.8980896000000005,6.718463999999999,0.0,0.0,0.0,1.3462617875993845,1.6719962066666672,1.300031295235833,1.225369230538778,0.7456320371669503,0.44461290484900007,0.0,0.0,0.0,162.56253820338404,144.34648383860005,156.10381188318584,153.72998245606104,170.60985508414197,184.917652024249,0.0,0.0,0.0,2.8290598290598292,3.1388888888888893,2.3888888888888893,2.685185185185185,1.8,1.0,0.0,0.0,0.0,0.04586352046039398,-0.009952445504380932,-0.0011233376367868328,-0.019580793935920077,-0.012674402388781973,0.02039921923567283,0.0,0.0,0.0,372.5107969230767,-45.84748269822481,15.043705260355047,-273.6521623550296,-60.89118795857983,179.0917292899408,0.0,0.0,0.0,692.6997336591465,-85.25535183497169,27.974412320850305,-508.86788126498834,-113.22976415582228,333.0287181053587,0.0,0.0,0.0,0.0729723076923076,-0.008981207100591242,0.0029469585798818686,-0.053606579881656465,-0.011928165680473803,0.03508284023668582,0.0,0.0,0.0,3.0966901072276927,-0.3811310901203324,0.12505863894573332,-2.274876194155728,-0.5061897290660635,1.4887933207825457,0.0,0.0,0.0,16.821269810612296,-2.0703101305368694,0.6793205115824307,-12.357163591642088,-2.7496306421193415,8.087148947409723,0.0,0.0,0.0,7.0256410256410255,-2.9467455621301792,1.494411571334648,-1.7449046679815923,-2.9454306377383297,2.629848783694939,0.0,0.0,0.0,0.003527963112337998,-8.29370458698411E-4,-6.240764648815737E-5,-0.0010878218853288932,-6.337201194390986E-4,0.002039921923567283,0.0,0.0,0.0,28.654676686390516,-3.820623558185401,0.8357614033530582,-15.202897908612755,-3.0445593979289916,17.909172928994078,0.0,0.0,0.0,53.28459489685743,-7.104612652914308,1.554134017825017,-28.270437848054907,-5.661488207791114,33.30287181053587,0.0,0.0,0.0,0.005613254437869816,-7.484339250492701E-4,1.6371992110454826E-4,-0.0029781433267586925,-5.964082840236902E-4,0.0035082840236685823,0.0,0.0,0.0,0.23820693132520712,-0.03176092417669437,0.006947702163651852,-0.12638201078642933,-0.025309486453303175,0.14887933207825457,0.0,0.0,0.0,1.2939438315855614,-0.1725258442114058,0.03774002842124615,-0.6865090884245605,-0.13748153210596709,0.8087148947409724,0.0,0.0,0.0,0.5404339250493096,-0.24556213017751494,0.0830228650741471,-0.09693914822119958,-0.1472715318869165,0.2629848783694939,0.0,0.0,0.0,-0.23508478753588305,-0.017689427156963533,-0.30834276059309146,-0.17962776232632696,0.5782152076458127,0.0,0.0,0.0,-0.13333333333333328,0.029166666666666716,-0.5305555555555559,-0.10624999999999997,0.6250000000000002,0.0,0.0,0.0,-0.13333333333333303,0.029166666666666827,-0.5305555555555554,-0.10625000000000023,0.6249999999999996,0.0,0.0,0.0,-0.13333333333332645,0.029166666666668797,-0.5305555555555528,-0.10625000000000397,0.6249999999999907,0.0,0.0,0.0,-0.1333333333333337,0.02916666666666657,-0.5305555555555556,-0.10624999999999966,0.6250000000000006,0.0,0.0,0.0,-0.1333333333333315,0.02916666666666714,-0.5305555555555546,-0.10625000000000093,0.6249999999999973,0.0,0.0,0.0,-0.4543795620437959,0.15362260070289263,-0.17937280346039483,-0.2725060827250608,0.48661800486618034,0.0,0.0,0.0,1.351402823057839,0.8866101725398312,1.3261374898642246,1.071653360464226,0.05206409907483794,0.0,0.0,0.0,1.3000000000000007,0.9750000000000006,1.5166666666666682,0.8775000000000006,0.0,0.0,0.0,0.0,1.3000000000000003,0.9750000000000002,1.5166666666666668,0.8775000000000002,0.0,0.0,0.0,0.0,1.3000000000000003,0.9750000000000001,1.5166666666666666,0.8775000000000002,0.0,0.0,0.0,0.0,1.3,0.975,1.5166666666666668,0.8775,0.0,0.0,0.0,0.0,1.2999999999999994,0.9749999999999995,1.5166666666666664,0.8774999999999996,0.0,0.0,0.0,0.0,1.6368613138686132,0.5904298459042986,1.2283049472830494,1.2810218978102188,0.0,0.0,0.0,0.0,11.545709729679384,5.772854864839693,9.052051674178495,11.545709729679384,2.3091419459358766,5.780645440601791,2.6645352591003757E-15,0.01054542158113092,0.002109084316226184,-2.2760317433031343,12.26040890621605,2.45208178124321,1.2531876414121528,11.545709729679384,5.772854864839693,9.052051674178495,11.545709729679384,2.3091419459358766,5.780645440601791,2.6645352591003757E-15,0.01054542158113092,0.002109084316226184,-2.2760317433031343,12.26040890621605,2.45208178124321,1.2531876414121528,11.545709729679384,5.772854864839693,9.052051674178495,11.545709729679384,2.3091419459358766,5.780645440601791,2.6645352591003757E-15,0.01054542158113092,0.002109084316226184,-2.2760317433031343,12.26040890621605,2.45208178124321,1.2531876414121528,11.545709729679384,5.772854864839693,9.052051674178495,11.545709729679384,2.3091419459358766,5.780645440601791,2.6645352591003757E-15,0.01054542158113092,0.002109084316226184,-2.2760317433031343,12.26040890621605,2.45208178124321,1.2531876414121528,11.545709729679384,5.772854864839693,9.052051674178495,11.545709729679384,2.3091419459358766,5.780645440601791,2.6645352591003757E-15,0.01054542158113092,0.002109084316226184,-2.2760317433031343,12.26040890621605,2.45208178124321,1.2531876414121528,11.545709729679384,5.772854864839693,9.052051674178495,11.545709729679384,2.3091419459358766,5.780645440601791,2.6645352591003757E-15,0.01054542158113092,0.002109084316226184,-2.2760317433031343,12.26040890621605,2.45208178124321,1.2531876414121528,17.025571968088766,8.368341539599939,13.45815432747236,16.85223863475543,3.370447726951087,8.36886126936172,-0.28888888888888786,0.05598953034477938,0.011197906068955876,-1.4412952819273885,12.993881837611818,2.5987763675223636,1.2822393094027325,0,11.790000000000001,12.210028842154472,-0.2930853422284414,0.12816124149547092,5.2169108977079945,7.225503793139995,4.0,12.0,10.0,10.0,2.0,2.0,2.0,0.0,0.0,2.0,8.745655999999999,3.506331298309027,2.7646136343192893,2.222859048967215,1.1954832784896587,0.37599627446225875,0.08392307051869131,0.08392307051869125,0.08392307051869113,1.814393089634721,1.368288513899611,1.10388508593829,0.4430245630000681,0.08392307051869104,0.08392307051869113,0.08392307051869125,0.08392307051869131,3.524951184104097,2.8041475874974697,2.2913879962283037,1.2963400114225299,0.4983282362319462,0.27091390189293746,0.27091390189293724,0.2709139018929372,1.7648671559144196,1.2804915513497008,0.9925498051100548,0.29359089553842865,0.27091390189293707,0.2709139018929372,0.27091390189293724,0.27091390189293746,3.610337570755982,2.9822245372390603,2.577669405837784,1.7141458173489694,0.9607468410507524,0.9439184268026223,0.9439184268026221,0.943918426802622,1.6280998919371252,1.018280620765703,0.6316056285270196,0.20853567620778343,0.9439184268026215,0.943918426802622,0.9439184268026221,0.9439184268026223,3.53885199360593,2.8335532844786187,2.3411333050587944,1.3695386938084015,0.5843502564882859,0.3992772455089823,0.3992772455089821,0.39927724550898186,1.734126967165898,1.224072765501196,0.9188475096120508,0.1932713091249496,0.3992772455089818,0.39927724550898186,0.3992772455089821,0.3992772455089823,3.6541023062563696,3.0702955290758447,2.7073376704264835,1.8990621127100908,1.2076448229620884,1.207644822962088,1.2076448229620877,1.2076448229620873,1.5881433982867694,0.936625274233211,0.5076379224617891,0.3870370536582221,1.145151214703108,1.2076448229620873,1.2076448229620877,1.207644822962088,3.5132703128373297,2.9212197234986115,2.371533840657732,1.3848819411221038,0.5157951358587362,0.4285714285714291,0.42857142857142877,0.42857142857142855,1.7821889098401864,1.1865095026879016,0.8492748087105905,0.17444201845012258,0.4285714285714284,0.42857142857142855,0.42857142857142877,0.4285714285714291,0,0,2,1,1,1,0,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.14433756729740646,0.0,0.0,4.284457050376173,2.2700556100296625,1.8020951405812151,0.8164965809277261,0.0,0.0,0.0,0.0,0.8568914100752346,0.5675139025074156,0.4505237851453038,0.4082482904638631,0.0,0.0,0.0,0.0,3.4915638315627207,1.5504768156519497,1.0504768156519497,0.348461712529338,0.0,0.0,0.0,0.0,0.6983127663125441,0.38761920391298743,0.26261920391298743,0.174230856264669,0.0,0.0,0.0,0.0,7.167311215143499,12.551347414420974,11.90196078431373,12.040000000000003,8.194217964071854,98.85571497005989,0.5513316319341153,0.9654882626477672,0.91553544494721,0.9261538461538463,0.630324458774758,7.604285766927684,1.60088,24.47099999999999,7.459294270913435,11.32198879388198,14.918588541826864,2.983717708365373,7.460499637077925,0.06081016321964117,0.012162032643928233,-1.3999991728808059,12.37595477156519,2.475190954313038,1.2578777293681938,19,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,0.0,0.0,0.0,1.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,2.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.756944444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8565972222222222,0.4222222222222222,0.0,0.0,0.0,0.33368055555555554,0.0,1.2788194444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9097222222222223,7.016203703703703,0.0,0.0,1.7222222222222223,0.0,0.0,0.0,0.0,1.0185185185185186,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0185185185185186,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4222222222222222,0.4222222222222222,0.0,0.0,0.0,0.33368055555555554,0.0,0.4222222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9097222222222223,3.460648148148148,0.0,0.0,1.7222222222222223,0.0,0.0,0.0,0.0,1.0185185185185186,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.5555555555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.434375,0.4222222222222222,0.0,0.0,0.0,0.33368055555555554,0.0,0.434375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9097222222222223,3.5555555555555554,0.0,0.0,1.7222222222222223,0.0,0.0,0.0,0.0,1.0185185185185186,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.666666666666668,2.3333333333333335,0.434375,3.5555555555555554,0.1875,1.0185185185185186,3.394763888888889,0.6481481481481481,0.5555555555555556,2.0324074074074074,0.6481481481481481,0.5555555555555556,2.0324074074074074,2.5,0.5,0.0,0.0,0.45385,0.7,0.41765,0.41765,0.7,0.0362,0.0362,0.0,0.0,0.71429,0.0,0.0,0.6,0.2,0.0,5.0,1.0,2.0,0.4,3.0,0.6,1.0,0.2,0.0,0.0,1.95603,0.39121,4.43249,2.47646,0.49529,1.01856,0.20371,2.27005,1.25149,0.2503,0.14395,0.02879,0.14395,0.02879,0.0,4.0,0,0,0,0,0,0,0.2,0.961236604722876,2.287783719941071,2.7192945256669794,3.026986833359287,2.457688415183734,1.319091578832629,12.496075861397388,29.74118835923392,35.35082883367073,39.35082883367073,31.949949397388544,17.148190524824177,0.25976280602829305,0.6182464502057431,0.7348571339605584,0.8180073353228106,0.6641611814766567,0.356468873784349,2.739203113418216,1.4126559982000213,0.9811451924741128,0.6734528847818053,1.242751302957358,2.3813481393084635,0.252468347291194,0.6008853303081834,0.714221442795618,0.7950366843455237,0.6455107195143049,0.34645878985186757,6.796774065078518,16.259151413506185,18.385142646326017,18.69524265617217,11.863661638065537,1.3294135126479247,19.354221957622258,14.224657976926812,12.38153551610852,11.950495689560155,8.53470518050684,3.126370207839089,5.0,2.25,4.0,5,4,4,2.01,0.7271000000000001,1.1447142425533319,1.8898815748423097,2.381101577952299,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.127,0.124,0.18300000000000002,0.302,2.032,4.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,1.9459101490553132,2.0794415416798357,1.9459101490553132,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.2188758248682006,1.6,0.3333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.25,2.0,0.5,0,2.0,3.0,0.5,1.5,0.44444444444444464,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.375,0.11111111111111116,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.48611111111111116,7.459294270913435,11.32198879388198,14.918588541826864,2.983717708365373,7.460499637077925,0.06081016321964117,0.012162032643928233,-1.3999991728808059,12.37595477156519,2.475190954313038,1.2578777293681938,0.0,89.7634644285335,3.321928094887362,2.833213344056216,3.367295829986474,4.007333185232471,4.574710978503383,5.220355825078324,5.796057750765372,6.444131256700441,7.02197642307216,7.6708948313621175,55.93596942475696,2.1972245773362196,0.0,3.2188758248682006,0.0,4.394449154672439,0.0,5.60947179518496,0.0,6.834108738813838,7.183870715062453,68.062600256,5.235584635076923,8.696801932082174,1.7393603864164349,0.0,0.0,0.0,18.0,2.0,2.3480000000000003,16.0,1.1959999999999997,2.1066476502240357,2.971523844592901,3.556040489146634,4.146565585846886,0.0,0.0,0.0,0.0,0.0,75.140155395,89.84372895712086,78.94668717241066,21.960443059312954,4.213176015417931,0.0,0.0,0.0,0.0,0.0,278.9551441680146,362.2004483663852,423.59184002308217,248.91745424501693,128.89078493655524,0.0,0.0,0.0,0.0,0.0,8.706791628,15.012305670095124,21.17591648228204,24.551451941161286,27.858551612151217,0.0,0.0,0.0,0.0,0.0,2.1007872564699994,2.8884776158953884,3.69124720212459,2.6876383665823367,1.8436165702702794,0.0,0.0,0.0,0.0,0.0,171.0499271097173,325.04454792810225,455.5414746883402,604.9777443859869,766.7731720993606,0.0,0.0,0.0,0.0,0.0,3.853805555555555,5.295696138106712,8.044190920775398,6.432216548456961,4.146565585846886,0.0,0.0,0.0,0.0,0.0,0.4350675000000001,0.6054861699309317,0.7840463729063686,0.5917627491377673,0.42460831599072113,0.0,0.0,0.0,0.0,0.0,295.8823955982511,106.24780707058719,12.517708704622779,218.222192476588,-78.36096283421503,-14.435045219598958,77.6602031216631,184.60876990480222,26.95275392422174,0.5755295760075554,0.206665743771033,0.024348564465253426,0.42447042399244445,-0.1524222204039305,-0.02807803228065652,152.1144971076355,54.62248508787921,6.4354114772309226,112.18903037196453,-40.2857305190319,-7.421122976463599,0.17105527210565877,0.2741975302751573,4.756604883644755,6.8640214782728215,514.1045880748392,0.0,1.0,0.0,305.9257629703288,17.490733631564137,6.738119112932502,384.48361309265755,19.60825369819193,7.271532422202298,439.0708088244842,20.954016532027556,7.600547102953525,1.4161612130076264,1.0581367424768808,165.22467283259155,118.98709473452561,49.608426597143094,1.3885932184597622,3.330576762176664,2.398525873452676,3.025896012595865,3.315270577192758,5.430461831312876,0.6380146672405783,2.6395311386755034,2.1220638371199625,3.184239455935729,5.3773599017519444,0.501315052808806,3.080710811575635,3.2395128776316846,3.756500014910627,0.06769835252582693,0.6165870966048925,8.177641924458566E-15,2.0918842646379786E-50,1.0321031914644722E-107,9.821650902699538E-187,1.8026929952028234E-287,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2215496807439606,1.2160232983536352,0.19049585944907416,2.3704757225064776,0.010867260710657769,0.13042104937229207,0.216978273985088,0.11943315351591374,4.7680794000149894E-4,0.004342673336808073,5.759580072118604E-17,1.4733311919358821E-52,7.2691871676961E-110,6.917469037780021E-189,1.2696514162920396E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7151112458075595,1.2765668366415346,0.664871994571093,2.888495742087568,0.0556417846551792,0.4758591549511847,0.7363996975877816,0.5145787024407027,0.0049686835249544235,0.04525400438828206,6.001926501105292E-16,1.5353246964291745E-51,7.575053486015901E-109,7.20853607703299E-188,1.3230746664150446E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4915040464407587,2.022588562383607,2.9526008808976605,5.159407730868376,0.45171403119532494,2.809256305980649,3.019968230853796,3.410993245200417,0.060318015292531155,0.5493680023229833,7.286131728168947E-15,1.8638312184652527E-50,9.195853620812109E-108,8.750914129796205E-187,1.6061670038658286E-287,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0539257871853247,1.3550646124529067,1.031108593532555,3.2725301491692624,0.10280859245893015,0.7892345655854042,1.121928557230296,0.8889416257436039,0.010792637409230204,0.09829774467134435,1.3036986377598657E-15,3.3349304009057547E-51,1.6454028400478418E-108,1.5657903611682186E-187,2.8738949734593272E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.18760883352371,2.5403439228496985,4.096806229147871,6.222798796067036,0.7071925687831746,4.188926524842889,4.09156827076877,5.175240908809181,0.09873167527687315,0.8992343325730872,1.1926322199172413E-14,3.0508166014010453E-50,1.5052255060696377E-107,1.4323954787387289E-186,2.629058313580232E-287,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.23454197766032,0.9640116719571807,0.9521356086714181,3.330050046211894,0.12489266874772124,0.8027313407740858,1.3936891317642504,1.0474527455837854,0.012434398227235976,0.11325069121314352,1.5020158636760629E-15,3.8422364044371034E-51,1.8956997394245406E-108,1.8039766964142007E-187,3.311068766699063E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6942400690317108,1.3577910279846033,0.12864139615384618,0.6444513588264114,0.32477813801554317,0.5577623981620057,0.49437781184464924,0.1538461538461539,4.18067249317016,4.1794739305468545,8.830744307843336,0.466677038239617,1.2059863638528088,1.7319555677038692,0.7040406344951173,0.02474664712048036,0.7038344409627572,0.28610898318360406,0.2285855016411392,0.13607199839235073,0.005693218928026734,2.460742849319467,1.2796498352062318,3.7705679317806218,0.5557516614441358,0.37035071896151667,2.0862922818044485,0.9480138223974732,0.0632119409777639,0.6735367643946764,0.30605594820432414,0.33230814673920944,0.2448472057932595,0.03714697089230476,3.0975180451796858,2.169638299079062,5.3921790653186,0.5103051465920146,0.6143023234247738,2.6674296470518257,1.3398983415994303,0.12576743703359836,0.6453830295025991,0.3241876133013331,0.5465407380469932,0.4817767701708033,0.14704883055495385,4.133095425684854,4.078075930903569,8.660674811493537,0.46807454425389855,1.1753663387727502,2.2555341315780524,1.063040306444753,0.0814875285255143,0.6633803012325181,0.31265321541299196,0.3890012066167038,0.3065637605067307,0.061731587541961244,3.4000619665483196,2.6681461236117583,6.26359266810619,0.49507045184877724,0.7572965546653958,2.779275874613543,1.4144522373715296,0.13775108546573478,0.641645901531565,0.326551778940546,0.5941404980955913,0.5352940991689725,0.1764067557791469,4.331479197450808,4.508843578693951,9.381843366150374,0.4624688522973475,1.3058413530437107,2.665455204294311,1.3393179913066902,0.12494480431034471,0.6454327400446063,0.3243122148619934,0.5455260128991067,0.4817637530375366,0.14513145725987556,4.129717999911346,4.070267713365101,8.646025184386112,0.46814911006690935,1.172421223196519 +UMLCN0249,L,"7,10-dimethyl-8-hexadecene",CCCCCCC(C)C=CC(C)CCCCCC,Olefins,,C18H36,NREL (2014),Unknown,UML,,43,0,-0.9556000000000004,0.9131713600000009,71.383,55.68454799999996,0,0,54,18,36,0,18,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2633.3324819999966,2888.3452250000023,3369.747042000004,3333.6876890000017,3148.1076640000006,3094.598992000001,2849.418782000001,2595.260484999999,2147.227161999995,8742.319031001432,11330.305519077283,15420.816823940586,16773.650675496927,16108.773519282062,15494.408331645333,14950.90227147409,13721.94039475981,11985.133523047853,377.59399199999984,384.4235240000004,724.8286800000012,995.1401960000024,1006.1584000000029,944.0955520000028,923.8927280000026,919.0789960000029,795.680488000002,66.20626457456403,87.49889515999995,129.02143112667778,148.47524865639318,144.34446175033605,137.66721998609086,134.3205327018458,125.28693155518457,110.25103798244967,8939.333882492965,7667.9157711944035,15844.084712353268,23108.143463389315,23663.282480617454,22126.204029644625,21560.517248194985,21936.591587242725,18782.443738609025,86.05555555555556,103.33333333333333,166.83333333333331,215.77777777777777,212.83333333333331,199.91666666666663,199.5,192.08333333333331,171.33333333333331,48.76541633333327,54.497079716981176,33.03673570588239,23.476673866197196,21.861858777777783,22.922955496296304,21.58650592424243,19.661064280303023,18.835325982456098,161.8947968703969,213.77934941655252,151.18447866608417,118.1243005316685,111.8664827727921,114.77339504922469,113.26441114753098,103.95409389969552,105.13275020217415,6.99248133333333,7.253274037735856,7.106163529411776,7.008029549295792,6.987211111111131,6.993300385185206,6.999187333333353,6.962719666666689,6.97965340350879,1.2260419365660005,1.6509225501886782,1.2649159914380175,1.0456003426506562,1.0023920954884449,1.0197571850821545,1.0175797931958015,0.9491434208726104,0.9671143682671024,165.54322004616603,144.67765606027177,155.33416384660066,162.73340467175575,164.32835055984344,163.89780762699723,163.33725188026503,166.18629990335398,164.75827840885108,1.5936213991769548,1.949685534591195,1.6356209150326795,1.5195618153364632,1.478009259259259,1.4808641975308638,1.5113636363636365,1.4551767676767675,1.502923976608187,0.08818181179026745,-0.010160105394227908,-0.023684052588672296,-0.00931216850611424,-0.008365824337844354,0.009531140219499083,-0.009669049103224029,0.011667512581130616,-0.016366883400370177,1452.7921080000024,-53.80711511111359,-403.5533633333356,-147.96956655555718,-8.135714324453147E-13,40.35533633333254,-242.13201800000144,121.0660089999998,-242.13201800000098,2701.528961270673,-100.05662819521584,-750.4247114640791,-275.1557275368266,1.7550405573274475E-12,75.04247114640872,-450.2548268784442,225.1274134392251,-450.2548268784433,0.2845919999999993,-0.010540444444447575,-0.07905333333333592,-0.028986222222222805,5.117434254131581E-17,0.007905333333333226,-0.04743200000000031,0.023716000000000792,-0.04743199999999975,12.077091418188026,-0.44729968215508475,-3.3547476161633103,-1.2300741259265513,-1.3600232051658168E-15,0.3354747616163331,-2.0128485696980007,1.0064242848489922,-2.012848569698005,65.60295226138797,-2.4297389726451017,-18.223042294830876,-6.6817821747711434,6.661338147750939E-14,1.822304229482986,-10.93382537689803,5.466912688449293,-10.933825376897852,6.2016460905349815,-1.5096402987349504,-0.12574302697759637,-0.2586495960981551,-1.0562414266117957,0.6872427983539119,-1.7336534064929117,1.7941243712848671,-1.7960676726108806,0.0016329965146345824,-1.9170010177788505E-4,-2.3219659400659115E-4,-6.557865145150873E-5,-5.809600234614135E-5,7.060103866295616E-5,-7.325037199412144E-5,8.839024682674708E-5,-1.435691526348261E-4,26.9035575555556,-1.0152285870021431,-3.9564055228758392,-1.042039201095473,-5.649801614203574E-15,0.2989284172839447,-1.8343334696969806,0.9171667348484833,-2.1239650701754473,50.028314097605055,-1.887860909343695,-7.357105014353717,-1.9377163911044126,1.2187781648107273E-14,0.5558701566400646,-3.411021415745789,1.7055107078729175,-3.949603744547748,0.005270222222222209,-1.9887631027259577E-4,-7.750326797385874E-4,-2.041283255086113E-4,3.5537737875913755E-19,5.855802469135723E-5,-3.5933333333333563E-4,1.7966666666667267E-4,-4.160701754385943E-4,0.22364984107755603,-0.008439616644435561,-0.032889682511405005,-0.008662493844553178,-9.444605591429283E-18,0.00248499823419506,-0.01524885280074243,0.007624426400371153,-0.017656566400859695,1.2148694863219995,-0.04584413155934154,-0.1786572774003027,-0.047054804047684105,4.625929269271486E-16,0.01349854984802212,-0.08283201043104568,0.041416005215524944,-0.0959107489201566,0.11484529797287003,-0.02848377922141416,-0.0012327747742901605,-0.001821476028860247,-0.0073350099070263585,0.005090687395214162,-0.013133737927976603,0.01359185129761263,-0.01575497958430597,-0.11739161722631233,-0.1421905018937227,-0.040158476067649995,-0.03557631741739606,0.0432340412427363,-0.04485641661673281,0.05412763960891017,-0.08791761118176834,-0.037735849056605444,-0.14705882352941235,-0.03873239436619754,-2.1000202677793766E-16,0.011111111111110872,-0.06818181818181847,0.03409090909090898,-0.07894736842105282,-0.03773584905660594,-0.1470588235294124,-0.038732394366197014,2.436176766686352E-16,0.01111111111111128,-0.06818181818181798,0.03409090909090945,-0.07894736842105224,-0.037735849056615076,-0.14705882352941693,-0.03873239436619806,6.743119431675337E-17,0.011111111111110988,-0.06818181818181879,0.03409090909091032,-0.07894736842105242,-0.03773584905660147,-0.14705882352941044,-0.038732394366196965,-4.222943126596784E-17,0.01111111111111108,-0.06818181818181805,0.034090909090908755,-0.07894736842105267,-0.0377358490566209,-0.1470588235294189,-0.03873239436619803,3.807758217120443E-16,0.011111111111111032,-0.0681818181818184,0.03409090909091093,-0.07894736842105159,-0.24801868012169637,-0.010734220695577624,-0.01586025776423633,-0.06386861313868603,0.0443264764432649,-0.11436025818905701,0.11834921879712863,-0.13718436768763295,1.5320558423657258,1.2471400796614156,1.1126876928898943,1.104744463186323,0.9666632099928001,1.0667374691158191,0.9095562735135129,1.1511593217162739,1.4999999999999987,1.3423202614379073,1.0575117370892009,0.9814814814814807,0.9814814814814807,1.0707070707070698,0.9034090909090902,1.0460526315789465,1.4999999999999984,1.342320261437907,1.0575117370892007,0.9814814814814804,0.9814814814814804,1.0707070707070696,0.9034090909090899,1.0460526315789462,1.5000000000000013,1.3423202614379115,1.0575117370892047,0.9814814814814838,0.9814814814814836,1.0707070707070734,0.9034090909090926,1.0460526315789493,1.4999999999999964,1.3423202614379037,1.0575117370891984,0.9814814814814778,0.981481481481478,1.070707070707067,0.9034090909090878,1.0460526315789438,1.4999999999999987,1.3423202614379066,1.0575117370892002,0.9814814814814802,0.9814814814814802,1.0707070707070692,0.9034090909090897,1.0460526315789462,1.737889847378898,0.9961161637846906,1.0448599026140917,1.0732104346383542,0.9231917717319174,1.2085419557217827,0.8632442540869876,1.2931626095763626,188.5810272625294,94.29051363126466,143.99173657747306,188.5810272625293,10.476723736807182,94.29051363126466,-9.947598300641403E-14,4.996003610813204E-16,2.7755575615628914E-17,-63.41890171122149,176.925134442798,9.829174135711,9.316308012925276,188.5810272625294,94.29051363126466,143.99173657747306,188.5810272625293,10.476723736807182,94.29051363126466,-9.947598300641403E-14,4.996003610813204E-16,2.7755575615628914E-17,-63.41890171122149,176.925134442798,9.829174135711,9.316308012925276,188.5810272625294,94.29051363126466,143.99173657747306,188.5810272625293,10.476723736807182,94.29051363126466,-9.947598300641403E-14,4.996003610813204E-16,2.7755575615628914E-17,-63.41890171122149,176.925134442798,9.829174135711,9.316308012925276,188.5810272625294,94.29051363126466,143.99173657747306,188.5810272625293,10.476723736807182,94.29051363126466,-9.947598300641403E-14,4.996003610813204E-16,2.7755575615628914E-17,-63.41890171122149,176.925134442798,9.829174135711,9.316308012925276,188.5810272625294,94.29051363126466,143.99173657747306,188.5810272625293,10.476723736807182,94.29051363126466,-9.947598300641403E-14,4.996003610813204E-16,2.7755575615628914E-17,-63.41890171122149,176.925134442798,9.829174135711,9.316308012925276,188.5810272625294,94.29051363126466,143.99173657747306,188.5810272625293,10.476723736807182,94.29051363126466,-9.947598300641403E-14,4.996003610813204E-16,2.7755575615628914E-17,-63.41890171122149,176.925134442798,9.829174135711,9.316308012925276,217.56251721378544,108.57909811306553,165.80234672696784,217.20312078031486,12.06684004335083,108.57909811306553,-0.40432098765440116,9.992007221626409E-16,5.551115123125783E-17,-62.17123678621358,245.30005666523635,13.627780925846464,9.904467928082822,0,11.890000000000002,12.110335656157309,-0.17069335599901003,0.04987339192091825,5.1422036167023855,9.182251711555047,17.0,53.0,52.0,52.0,16.0,1.0,1.0,0.0,0.0,1.0,39.35545199999999,3.641187784670651,3.4845584157959464,3.3780416402547746,3.2326485673313914,2.9756265526406183,2.854237750449619,2.54335149238525,2.4009018199527734,1.9695863569887213,1.9034594754542393,1.8171562442466163,1.7226039422510542,1.5442773373560872,1.4910658219733477,1.231843608721431,1.2166793157095988,3.6619079825763916,3.512974127114373,3.408008003098437,3.265776693792197,3.0144739978086457,2.898729426031004,2.5909874974848988,2.461548671772489,1.9186372982729034,1.8425537536189736,1.7536390392611416,1.6517329239017073,1.4632526848800258,1.4024875737467293,1.1323745747766276,1.10989521724863,3.755356828181397,3.637690236123202,3.5392179174355216,3.4118175996595124,3.1854580195835123,3.093135274238959,2.7992641826995817,2.720441227658921,1.7744891397811304,1.6625291195366358,1.5652873208861895,1.4409617848848626,1.2194555224997832,1.1314560799108873,0.8402720572295119,0.7701846742597649,3.6772945665216543,3.5338978942950696,3.4300573159894885,3.290216422925634,3.0431317260807362,2.9314855986460433,2.6260837238879087,2.505895544797844,1.886697605831459,1.803690403661421,1.7130599659364545,1.6063642985051145,1.4111207080481043,1.3451019284591577,1.0695632360033167,1.0396629253167005,3.8023172997191352,3.6982454724482334,3.60273670278223,3.482865751667779,3.2682314430801847,3.1862175598041413,2.898851816152234,2.8405128585048,1.7313063516804397,1.606133398807255,1.5060674910843785,1.3748029475037922,1.14220410893855,1.0442091895959407,0.7468762400426036,0.6562983114352514,3.7247153969657636,3.5174940098002683,3.453431759110499,3.325355937657926,3.1102026106657275,3.0169937791189376,2.8063903502749397,2.604278475465257,1.8642078482076638,1.8005706614633092,1.662363369151321,1.5581493227938248,1.3189981181837538,1.2390556842993596,0.9249621583079194,0.9108697354777483,0,0,0,2,0,4,10,2,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5773502691896258,0.0,0.0,0.0,0.47140452079103173,0.0,0.0,0.0,0.8164965809277261,0.8130525295851416,0.9772838841927124,0.6054988603092419,0.5852871903890684,0.6821064926405205,13.639981912617825,8.701907262607799,6.486364312983974,4.253218857624055,2.696862678570425,1.906969887946064,1.0992923521208586,0.7767082486763951,0.7577767729232125,0.5118768978004588,0.3603535729435541,0.25018934456612085,0.16855391741065157,0.119185617996629,0.07852088229434705,0.0597467883597227,13.380468888623982,8.385410681680073,6.038138560594444,3.79421549172014,2.3579862282632402,1.5840147186160944,0.890570416901347,0.6074729661943942,0.7433593827013323,0.4932594518635337,0.3354521422552469,0.22318914657177294,0.14737413926645251,0.0990009199135059,0.0636121726358105,0.04672868970726109,27.752900468145683,51.98106336489446,49.05882352941171,49.680000000000035,32.373980838323405,414.5085916167665,0.5139426012619571,0.9626122845350826,0.9084967320261428,0.9200000000000007,0.5995181636726556,7.676085029940121,6.6817900000000074,84.71600000000008,98.61799218203237,151.84801829000318,197.23598436406473,10.957554686892486,98.61799218203237,1.6653345369377348E-16,9.25185853854297E-18,-65.3964038308241,131.8519484413634,7.325108246742411,8.787023442724285,376,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,16.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,10.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.909589474678761,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.40459955278407655,0.0,0.0,3.695400447215924,0.5805555555555556,0.0,0.40459955278407655,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.297225997730703,0.0,13.904392063073866,0.0,4.909589474678761,0.0,1.555459131183337,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4547947373393804,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20229977639203828,0.0,0.0,0.20699266975308644,0.2902777777777778,0.0,0.20229977639203828,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.281302829427205,0.0,1.3462443573108256,0.0,2.4547947373393804,0.0,0.7777295655916685,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4547947373393804,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2022997763920383,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.2022997763920383,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3673101694381455,0.0,1.4179080584403387,0.0,2.4547947373393804,0.0,0.7777295655916686,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,29.666666666666668,1.6481481481481481,0.2902777777777778,2.4547947373393804,0.20229977639203828,0.7777295655916685,12.754073789084238,0.5556037677416648,0.4547947373393803,4.413630944818924,0.5556037677416648,0.4547947373393803,4.413630944818924,9.0,0.5,0.0,0.0,0.43333,0.7,0.42857,0.42857,0.7,0.00476,0.00476,-0.0,0.0,0.71429,0.0,0.0,0.22222,0.11111,0.0,9.5,0.52778,8.5,0.47222,1.0,0.05556,-7.5,-0.41667,0.0,0.0,24.04483,1.33582,25.85447,1.80963,0.10054,8.21275,0.45626,8.70189,0.48915,0.02717,0.21211,0.01178,0.21211,0.01178,0.0,17.0,0,0,0,0,0,0,0.8888888888888888,0.9182958340544896,1.6772390289896693,2.774000707520357,3.606015279620733,3.6023165585055525,3.3007717640582825,49.58797503894244,90.57090756544214,149.79603820609927,194.7248250995196,194.52509415929984,178.24167525914726,0.15956799046189332,0.2914460149497509,0.4820251840678919,0.6266004814629482,0.625957771920183,0.5735597373219552,4.83659166810898,4.0776484731738,2.980886794643112,2.148872222542736,2.1525709436579166,2.4541157381051866,0.15956799046189332,0.2914460149497509,0.4820251840678919,0.6266004814629482,0.625957771920183,0.5735597373219552,6.732876570223358,13.571824553835459,18.282094130176525,20.242182407407213,18.302656396386972,19.120315168752878,71.09775004326937,52.57485005002657,42.46480858812078,34.41091853646729,39.58161743818943,38.42097642944261,18.0,13.432098765432098,13.28719723183391,18,2,16,3.44,2.6017999999999977,0.7089381699120546,9.374486369573802,2.086779440097717,0.0,15.78438486979894,7.29311170487458,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.14300000000000002,0.128,0.14900000000000005,0.14600000000000002,8.24,18.0,17.0,16.0,16.0,14.0,13.0,10.0,9.0,8.0,156.0,2.9444389791664403,3.044522437723423,3.1354942159291497,3.1354942159291497,3.2188758248682006,3.1354942159291497,3.1354942159291497,3.044522437723423,2.9444389791664403,2.833213344056216,5.407171771460119,1.4230769230769231,0.4666666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,0.7058823529411765,16.0,0.9411764705882353,2,8.0,15.0,0.875,2.5,1.1111111111111116,0.5,0.4800000000000002,0.27777777777777785,0.20408163265306126,0.09375,0.07407407407407407,0.06000000000000002,0.01652892561983471,0.14705882352941177,0.06172839506172842,0.029411764705882353,0.030000000000000013,0.017361111111111115,0.014577259475218662,0.007211538461538462,0.007407407407407407,0.006666666666666669,0.002066115702479339,0.33707124476954087,98.61799218203237,151.84801829000318,197.23598436406473,10.957554686892486,98.61799218203237,1.6653345369377348E-16,9.25185853854297E-18,-65.3964038308241,131.8519484413634,7.325108246742411,8.787023442724285,0.0,317.2477232656013,5.169925001442312,4.2626798770413155,4.948759890378168,5.673323267171493,6.3818160174060985,7.113956109566034,7.83399634170946,8.569975376855206,9.297160063928743,10.035524078403878,99.1171910224604,3.5553480614894135,0.0,4.672828834461906,0.0,5.932245187448011,0.0,7.257707677160043,0.0,8.62245370207373,8.923591197573002,252.28170115199998,4.671883354666666,34.46922904925054,1.914957169402808,0.0,0.0,0.0,849.0,17.0,9.936000000000003,70.0,1.2283742681347236,2.133677243080864,2.902803260900075,3.631374159809753,4.748929189844151,5.822658341041405,6.875588508741552,8.122619039039584,9.234424632652766,10.649137811121777,78.87404443056646,79.88926492345507,80.50803677953846,100.00066070580522,130.9787430394184,148.64744673387906,159.05648701044626,175.62666119198914,185.9678191467205,232.85945609393167,290.47796286639397,349.10245414026514,375.04574486059386,468.916806442108,611.9112178862598,729.030838272706,790.2809767548167,925.0280559052087,970.9578274663837,1206.1433075744226,8.947913465841971,15.22107035296133,20.403113581828936,25.53064272157083,33.37707805662308,40.92744251605646,48.07360367369328,56.88006586129093,64.31522558060938,74.50081260413738,2.179203121693197,2.859823130935731,3.2218322324454136,4.034299178652408,5.262058923458905,6.36147160858615,7.009321930324298,8.30888410508366,8.82709074841693,10.810170004662965,175.34138139888668,327.2228876120761,468.242247793444,585.1870603649386,766.1544473866535,938.3397349692257,1127.7512614748398,1324.4388861517798,1533.3979714073855,1742.3895032317482,2.463717555860637,3.606208281126879,4.5356794677103505,5.636653629110789,7.344466151231919,9.112936087711711,10.401659823625728,12.555080578642501,13.027747635677018,15.541962732382485,0.4509925673839278,0.6018603776110266,0.6848472447756004,0.8576874175590484,1.1187114192587309,1.3552835787730546,1.498721053448693,1.7790632957695178,1.8959566562421395,2.3144836478827227,665.8072867529393,661.3016425231788,17.531999794944614,120.41688643793857,-119.60200252131645,-7.546817243295713,545.3904003150006,780.9036450444952,25.078817038240327,0.8468415363658578,0.8411107990222393,0.02229898341053453,0.15315846363414218,-0.15212201125273686,-0.009598811001532908,523.4737835317915,519.9313371225558,13.78408204316297,94.6746669778881,-94.0339855442953,-5.933490147332833,0.05756248514388377,0.08542070740637742,0.5335546313572104,0.3384821228841649,786.2241731908779,0.0,1.0,0.0,1076.7916668163627,32.814503909344154,10.249686024303108,1436.7881451441638,37.904988393932584,11.284030343546531,1955.5523134551727,44.221627214013424,12.505176125026892,5.001574567382412,5.001574567382412,7887.697691630363,7757.058541009384,214.21738844603442,1.0168413258621585,36.820996413264695,36.21115259260823,7.66350357160032,10.867064261335718,20.479561779735423,0.8845532967537812,14.48111351328347,15.33171810158821,7.630866153830273,69.55733520532743,36.17040928257289,9.992382056062775,19.588810724763828,20.319571872413587,46.19948767164587,12.652627461081,11.51903163965866,33.01179810015778,8.85016774761264,44.579812354901065,5.063864433298837,9.001080165118129,27.55405131367354,4.388755954433785,46.925296821022634,1.256528926479626,6.478496021204934,27.481164399205323,0.9019194936181418,44.77376206137436,0.15547761955017608,1.725436350902285,13.912733381315707,0.5682149541531379,30.639812623263964,1.0908953319635316E-5,1.2153059191259552,15.312366645325056,0.518838693622278,17.909205791831752,3.9170157199287274,0.692789146129308,2.634312988773498,2.7564284334135816,13.26792991663025,1.2248706871810884,0.25765487994531616,2.7901738455842806,0.39596457095453325,11.80098899470615,0.056507720397980424,0.2750038019326918,3.2299714005699367,0.08407682723053685,10.20621443841939,0.010815118058652786,0.2462975788665836,2.2117772185503473,0.06208888237241723,7.018220884242602,0.0010961628726304238,0.04646368933654638,0.282945913637753,0.040872761001635165,4.500176718925408,8.664432166903703E-7,3.923140066075633,15.313660107869481,1.7549785219563365,21.61452895887042,6.197485283392602,2.32867441277784,5.783749652454273,4.6756473811441035,17.969566417289403,3.3001321244229023,1.2815536548462936,8.042590036090655,1.506667451893745,16.850348213922203,0.425100614390701,1.168896583769272,6.531454612274471,0.45870476642099856,15.934028299341332,0.09727118800788434,0.9451879782993973,5.026605422802622,0.20939385456281026,12.37888069161418,0.01141405841487178,0.18094070327336406,1.4831349142128956,0.13643190837679242,8.186442273186058,2.8293172177382212E-6,13.668990278136272,15.329593608508272,7.119209069232229,63.97671260522878,32.673572781410584,9.33025339780169,18.44072752861013,18.655066411936293,43.46869194440009,11.861973261307483,10.378640349749896,30.837438155641358,8.115047855358915,41.9924088556093,4.526125555820548,8.152983827320272,25.476429049984688,3.9469107991627337,44.05215679874342,1.1208978237825877,5.894174038403348,25.105246756782563,0.841971973451737,41.63243973229025,0.1385285319413551,1.548983459445163,12.518689166293727,0.5316570063150113,28.45606280010281,1.02633745239561E-5,5.781983317938053,15.315336823614809,2.667558916238712,26.188211827437385,9.040646206352271,3.5295584508711855,8.038181819969076,6.487739463953683,21.79699002727804,4.801157674733138,2.3629391013270578,11.920325515382725,2.451730518344238,20.803969593519028,0.8721703204086612,2.0459793685634775,9.291770695611234,0.8655376376818054,20.390750902038153,0.20645000230287397,1.595159418177558,7.6546390820877015,0.3176765280520035,16.75539671948608,0.02479010087708385,0.3350848632931101,2.7767381259190653,0.20561785226665616,11.206686465435842,4.202605657081608E-6,17.48804031243081,15.34065122779441,9.611893923940366,92.96619043566646,50.846086014547545,12.549330053946806,23.96470286894341,27.151595013306416,57.12193932388697,15.683450334574234,16.253438797700127,41.43059466417318,11.819008450467535,54.8191525749525,7.317370710405777,12.49760018617884,35.91477112601245,6.227173868401656,58.27313613149343,1.8261193419732962,8.872231563147638,37.21932152262204,1.1335675444288835,57.34701646655178,0.22674583876758359,2.462405772468442,19.70967900907997,0.7084258818854342,39.38777578023356,1.333419340066876E-5,9.034738472137995,13.707926894952612,4.223348572883339,36.9869959877431,16.90993724914823,5.943752771608984,11.90348284615087,10.364651352605772,28.675062917749973,7.463252677076802,4.643837326873038,18.492724041641228,4.638497103916145,27.80926627556319,1.9588494321967036,3.796879294093828,14.47570698709771,1.858374926584314,27.594884290236532,0.47189125994745945,2.8748144130425226,13.92698938426553,0.42436968207382714,24.16195047625611,0.057239490385289145,0.6780681239544802,5.746142744789754,0.2974567725712334,16.661737530793737,5.906473363910532E-6,33.707777876237415,1.277392901473926,0.5703930709923445,0.9480310316458773,0.035926666974246235,0.5281894657971309,0.371130750342462,0.3500110858738078,35.555563848703684,63.01337518265592,123.12896733672588,0.9220465474688161,1.2493313020134007,30.58141564554903,0.6833713062782917,0.1655737887243295,0.9729896483845536,0.021742394620262874,0.43469621616125154,0.10408262177920906,0.02919516546469598,31.430360740551652,26.07509118681126,60.96568945218378,0.9594844725768303,0.5679740034051566,31.82298162923513,0.9192886295483944,0.32648725704179393,0.962327708079325,0.027799309638666087,0.470731845181307,0.19007222808533164,0.11408678060260886,33.06875751582532,39.944439176194635,82.56441984111544,0.9434915621189874,0.7748908538692476,33.63036605360118,1.262687254140864,0.5603821348980905,0.9485784842490514,0.03561537093305829,0.5257642164979486,0.3624871419492013,0.33777555243757906,35.453435442640135,62.01807827367916,121.2679362931877,0.9228677263735773,1.226026910884729,32.376452977613134,1.0244559225405805,0.39814949386302256,0.9579099098022376,0.030310191207040673,0.48726006840960967,0.23689614726951017,0.16996438003945114,33.79905839401674,46.46680397693352,93.47178392412494,0.9368648647033563,0.8941205957185709,33.950137205782525,1.3234314133153309,0.6017320019169832,0.9463373579619676,0.036889765114333235,0.5358185955282252,0.39886279514175926,0.38972858994245907,35.875300621014844,66.15591312442399,129.0674406046768,0.9195060369429515,1.3244099806124434,33.65642131422365,1.2675717189160012,0.5617299737475926,0.9484496429082604,0.0357206113193744,0.5265837235334533,0.3651431350019942,0.3392644556723919,35.48572300688725,62.27978150749825,121.72998810751774,0.9226744643623905,1.2309913142078392 +UMLCN0250,L,"2,5-dimethyl-2,4-hexadiene",CC(=CC=C(C)C)C,Olefins,,C8H14,Marquardt (2015),IQT,PubChem,,19.9,0,3.112400000000001,9.687033760000006,40.2054,23.415101999999983,0,0,22,8,14,0,8,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1168.3378639999985,1179.3480789999996,1360.0191439999983,1085.5493089999993,801.2518120000004,734.534308,290.570112,36.578304,0.0,3823.3076360276646,4570.930941432567,5596.926009094094,5590.766744293134,4462.365801853526,3443.911936614709,2753.6787928924487,1119.0147995134885,0.0,154.382624,152.43046000000004,254.8278080000002,257.9500040000002,345.598096,196.19521600000013,170.82316800000007,241.86470400000016,0.0,28.53578066788598,35.11192034000001,45.46326381818803,47.795442204849046,42.31069610547006,29.853486578187983,26.725063440000014,16.00606457456401,0.0,3603.2019770594866,3031.276160610601,5683.327436417389,5412.56586386125,8504.667748493872,4563.659821205788,3674.941145109601,6657.035472872964,0.0,43.55555555555556,52.0,69.99999999999999,79.11111111111111,75.33333333333334,48.00000000000001,48.0,36.0,0.0,53.106266545454474,56.159432333333314,37.77830955555551,30.154147472222203,16.02503624000001,26.23336814285714,12.107088,1.016064,0.0,173.7867107285302,217.66337816345558,155.4701669192804,155.29907623036485,89.24731603707052,122.99685487909674,114.73661637051869,31.083744430930235,0.0,7.017392,7.2585933333333355,7.078550222222228,7.165277888888895,6.9119619199999995,7.006972000000005,7.117632000000003,6.718464000000004,0.0,1.2970809394493628,1.6719962066666672,1.262868439394112,1.327651172356918,0.8462139221094012,1.0661959492209994,1.1135443100000006,0.4446129048490003,0.0,163.78190804815847,144.34648383860005,157.8702065671497,150.34905177392363,170.09335496987742,162.98785075734958,153.12254771290006,184.917652024249,0.0,1.97979797979798,2.4761904761904763,1.944444444444444,2.197530864197531,1.5066666666666668,1.7142857142857146,2.0,1.0,0.0,0.043729913183346715,0.0045933570559874015,-0.008593572738390495,-0.034738628253184314,0.015540693273858253,0.0030464308018397944,-0.028812077127141095,0.02709884039535711,0.0,616.3360458181818,-49.02673091735487,136.0741919338845,-579.3158612479331,228.12438059504092,52.02836750413219,-672.3665954380159,576.3142246611559,0.0,1146.1031956905874,-91.16729965720573,253.03577047714285,-1077.2625816637187,424.2070269763867,96.74897106478998,-1250.294395298824,1071.6809102561338,0.0,0.12073599999999982,-0.0096039999999984,0.026656000000000693,-0.1134839999999982,0.044687999999998396,0.010191999999999951,-0.13171199999999908,0.11289599999999654,0.0,5.123614541049458,-0.40756024758346987,1.131187625945988,-4.81586496634355,1.89640278467414,0.432512915802876,-5.5893976811448525,4.790912298124148,0.0,27.831555504831226,-2.2138737333388723,6.144629137430261,-26.159854930677458,10.301290024515485,2.349417023135107,-30.36169691436138,26.024311640881198,0.0,4.4444444444444455,-1.3333333333333348,2.444444444444443,-4.444444444444446,0.6666666666666676,1.7777777777777772,-5.333333333333335,4.000000000000003,0.0,0.0019877233265157596,2.1873128838035245E-4,-2.3871035384418043E-4,-9.649618959217865E-4,3.1081386547716504E-4,1.0880110006570695E-4,-0.001200503213630879,7.527455665376975E-4,0.0,28.015274809917354,-2.3346062341597555,3.779838664830125,-16.09210725688703,4.562487611900818,1.8581559822904354,-28.01527480991733,16.008728462809884,0.0,52.09559980411761,-4.341299983676463,7.028771402142857,-29.923960601769963,8.484140539527735,3.455320395171071,-52.09559980411766,29.768914173781493,0.0,0.005487999999999992,-4.5733333333325714E-4,7.404444444444637E-4,-0.003152333333333283,8.937599999999679E-4,3.639999999999983E-4,-0.005487999999999962,0.003135999999999904,0.0,0.2328915700477026,-0.01940763083730809,0.03142187849849967,-0.1337740268428764,0.0379280556934828,0.015446889850102714,-0.2328915700477022,0.13308089717011523,0.0,1.2650707047650558,-0.10542255873042249,0.17068414270639615,-0.7266626369632627,0.2060258004903097,0.08390775082625382,-1.2650707047650576,0.7228975455800333,0.0,0.20202020202020207,-0.06349206349206356,0.06790123456790119,-0.12345679012345684,0.013333333333333353,0.06349206349206347,-0.2222222222222223,0.11111111111111119,0.0,0.11004111360093669,-0.12009234417076095,-0.4854608702576575,0.15636676459494211,0.054736541355794324,-0.6039589099833209,0.37869735515815983,0.0,-0.08333333333333248,0.13492063492063514,-0.5744047619047611,0.16285714285714256,0.06632653061224485,-0.9999999999999991,0.5714285714285703,0.0,-0.08333333333333325,0.134920634920635,-0.5744047619047624,0.16285714285714303,0.06632653061224499,-1.0000000000000009,0.5714285714285714,0.0,-0.08333333333331958,0.13492063492063863,-0.5744047619047535,0.16285714285713723,0.06632653061224468,-0.9999999999999944,0.5714285714285547,0.0,-0.08333333333333136,0.1349206349206354,-0.5744047619047602,0.162857142857142,0.06632653061224486,-0.9999999999999982,0.5714285714285691,0.0,-0.08333333333333426,0.13492063492063472,-0.5744047619047631,0.16285714285714334,0.06632653061224499,-1.0000000000000013,0.5714285714285725,0.0,-0.31428571428571456,0.3361111111111108,-0.6111111111111112,0.06600000000000009,0.3142857142857141,-1.1,0.5500000000000003,0.0,1.101865281326214,1.3231534860262735,1.620165827997738,0.7731869450208656,1.2155306887225317,1.2169636355004496,0.0,0.0,1.3750000000000007,0.9166666666666672,1.7187500000000013,0.6600000000000005,0.8839285714285718,2.0625000000000013,0.0,0.0,1.3750000000000007,0.916666666666667,1.71875,0.6600000000000003,0.883928571428572,2.0625000000000004,0.0,0.0,1.3750000000000004,0.9166666666666669,1.7187500000000002,0.6600000000000001,0.8839285714285716,2.0625000000000004,0.0,0.0,1.3749999999999996,0.9166666666666663,1.7187499999999993,0.6599999999999998,0.8839285714285712,2.062499999999999,0.0,0.0,1.375000000000001,0.9166666666666675,1.7187500000000013,0.6600000000000006,0.883928571428572,2.062500000000002,0.0,0.0,1.6499999999999995,0.5541666666666667,1.8958333333333328,0.7769999999999998,0.45,2.3624999999999994,0.0,0.0,30.779733838059506,15.38986691902976,23.281537857225896,30.77973383805952,3.84746672975744,15.389867595055025,1.5987211554602254E-14,1.6653345369377348E-16,2.0816681711721685E-17,-29.065068369255155,25.18417525724789,3.1480219071559863,2.5809726650255445,30.779733838059506,15.38986691902976,23.281537857225896,30.77973383805952,3.84746672975744,15.389867595055025,1.5987211554602254E-14,1.6653345369377348E-16,2.0816681711721685E-17,-29.065068369255155,25.18417525724789,3.1480219071559863,2.5809726650255445,30.779733838059506,15.38986691902976,23.281537857225896,30.77973383805952,3.84746672975744,15.389867595055025,1.5987211554602254E-14,1.6653345369377348E-16,2.0816681711721685E-17,-29.065068369255155,25.18417525724789,3.1480219071559863,2.5809726650255445,30.779733838059506,15.38986691902976,23.281537857225896,30.77973383805952,3.84746672975744,15.389867595055025,1.5987211554602254E-14,1.6653345369377348E-16,2.0816681711721685E-17,-29.065068369255155,25.18417525724789,3.1480219071559863,2.5809726650255445,30.779733838059506,15.38986691902976,23.281537857225896,30.77973383805952,3.84746672975744,15.389867595055025,1.5987211554602254E-14,1.6653345369377348E-16,2.0816681711721685E-17,-29.065068369255155,25.18417525724789,3.1480219071559863,2.5809726650255445,30.779733838059506,15.38986691902976,23.281537857225896,30.77973383805952,3.84746672975744,15.389867595055025,1.5987211554602254E-14,1.6653345369377348E-16,2.0816681711721685E-17,-29.065068369255155,25.18417525724789,3.1480219071559863,2.5809726650255445,32.58023000044724,16.265115000223624,24.296718213781993,32.54273000044725,4.067841250055906,16.26511526346515,-0.04999999999999005,4.996003610813204E-16,6.245004513516506E-17,-28.18617853832066,26.336458937328256,3.292057367166032,2.6167634004623594,0,11.889999999999999,12.110114161591728,-0.17088566918235296,0.05154134169142219,5.973170218785861,7.861305017436964,7.0,21.0,19.0,19.0,5.0,2.0,2.0,0.0,0.0,2.0,15.304897999999996,3.621530024892695,3.238315027567512,2.37253036904308,2.333552793103047,2.333552793103047,1.611468733880884,0.3930236388629155,0.3248559854375694,1.8936756520339557,1.6809026317495894,1.2496297225843551,1.2496297225843551,1.113117953814631,0.5383352600117153,0.08392307051869075,0.08392307051869091,3.637414964681975,3.2652930997980114,2.4270970740063658,2.4054545878412887,2.4054545878412865,1.6801443741609898,0.5042614238849354,0.46094529860441613,1.848484395662942,1.6120824338430733,1.134540685948351,1.1345406859483507,1.0160705731146025,0.41486322494433236,0.2709139018929367,0.270913901892937,3.711091004843072,3.3899293790512903,2.70423698723352,2.70423698723352,2.6615746421812165,1.9722386853600264,0.959346970903114,0.9590917507443218,1.7266069233333798,1.4158528067130147,0.7603185604308987,0.7603185604308981,0.7068160382170134,0.028322957609143832,0.9439184268026217,0.9439184268026218,3.649313265927062,3.2855105909227804,2.4671015279143442,2.457539916041693,2.457539916041693,1.7302893041825589,0.585048075081729,0.5556392897039261,1.82071411407289,1.5686883334011363,1.0582626705327125,1.0582626705327112,0.9521705797184037,0.33422004450403237,0.39927724550898147,0.39927724550898164,3.749447303667282,3.4536888873273233,2.8389820851496497,2.838982085149649,2.7708296817342504,2.1077412672589673,1.2076448229620886,1.2076448229620886,1.691799379069067,1.3574905435849893,0.6313372621875608,0.63133726218756,0.6033026656392527,0.10004008820018784,1.1489615360462035,1.152463115907453,3.646269923205834,3.2878149979522147,2.536263178843986,2.5341945285637983,2.534194528563798,1.7799148079307328,0.6239233132501188,0.6140219927769259,1.810216288149177,1.5421254744553943,0.9689771372594516,0.968977137259451,0.8715355105107002,0.26433094084455055,0.5217391304347816,0.5217391304347822,0,0,0,2,2,4,0,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8164965809277261,0.0,0.0,0.0,0.5773502691896258,0.0,0.0,0.0,0.5773502691896258,0.3333333333333333,0.6666666666666666,0.3333333333333333,0.16666666666666666,0.3333333333333333,6.568914100752346,3.625897657686229,3.36504396942433,1.3213672050459182,0.6666666666666666,0.6666666666666666,0.0,0.0,0.8211142625940433,0.5179853796694613,0.42063049617804127,0.26427344100918365,0.16666666666666666,0.16666666666666666,0.0,0.0,6.1547005383792515,2.910683602522959,2.488033871712585,0.7499999999999999,0.3333333333333333,0.3333333333333333,0.0,0.0,0.7693375672974064,0.4158119432175656,0.3110042339640731,0.14999999999999997,0.08333333333333333,0.08333333333333333,0.0,0.0,11.792794626501124,21.214857975236704,20.078431372549026,20.320000000000004,13.589881437125744,167.94048023952098,0.5360361193864147,0.9643117261471229,0.9126559714795012,0.9236363636363638,0.6177218835057157,7.633658192705499,2.771180000000001,38.321999999999996,19.111484493755654,29.841472548148946,38.22296898751131,4.7778711234389135,19.111484508725457,1.6653345369377348E-16,2.0816681711721685E-17,-29.065068369255155,28.157556145732254,3.519694518216532,2.6702525943410116,56,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,4.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.946666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.726388888888889,0.0,0.0,0.0,1.263611111111111,0.0,0.726388888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.386666666666667,0.0,0.0,0.0,4.2407407407407405,0.0,0.0,0.0,0.0,2.7059259259259263,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3529629629629631,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3631944444444445,0.0,0.0,0.0,0.31590277777777775,0.0,0.3631944444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0966666666666667,0.0,0.0,0.0,2.1203703703703702,0.0,0.0,0.0,0.0,1.3529629629629631,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1203703703703702,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3631944444444445,0.0,0.0,0.0,0.31590277777777775,0.0,0.3631944444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0966666666666667,0.0,0.0,0.0,2.1203703703703702,0.0,0.0,0.0,0.0,1.3529629629629631,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.333333333333334,1.9166666666666667,0.3631944444444445,2.1203703703703702,0.10499999999999998,1.3529629629629631,4.4289118518518515,0.31370370370370365,0.12037037037037035,1.2548148148148146,0.31370370370370365,0.12037037037037035,1.2548148148148146,4.0,0.5,0.0,0.0,0.44545,0.7,0.42308,0.42308,0.7,0.02238,0.02238,-0.0,0.0,0.71429,0.0,0.0,0.5,0.25,0.0,6.5,0.8125,3.5,0.4375,3.0,0.375,-0.5,-0.0625,0.0,0.0,6.13526,0.76691,8.87961,2.74435,0.34304,2.19816,0.27477,3.62588,1.42772,0.17847,0.28812,0.03601,0.28812,0.03601,0.0,7.0,0,0,0,0,0,0,0.5,0.9456603046006402,1.8676338909712125,1.8676338909712125,1.8676338909712125,1.8676338909712125,1.5531401074587308,20.804526701214083,41.08794560136668,41.08794560136668,41.08794560136668,41.08794560136668,34.16908236409208,0.2120584831144048,0.418805365949735,0.418805365949735,0.418805365949735,0.418805365949735,0.34828207724224186,3.5137713140366573,2.591797727666085,2.591797727666085,2.591797727666085,2.591797727666085,2.9062915111785665,0.20905213939524112,0.41286798083321613,0.41286798083321613,0.41286798083321613,0.41286798083321613,0.3433444976649626,6.78663383797895,13.711553697893299,13.711553697893299,13.711553697893299,13.711553697893299,9.93762829574352,31.283126094833726,24.632701479011104,24.632701479011104,24.632701479011104,24.632701479011104,20.858776076861325,8.0,3.9375,7.2,8,4,6,2.34,1.1498000000000002,1.628650569956944,3.2659863237109037,3.999999999999999,0.0,1.0,2.8284271247461903,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.121,0.088,0.279,0.328,3.5999999999999996,8.0,5.0,4.0,4.0,0.0,0.0,0.0,0.0,0.0,36.0,2.302585092994046,2.70805020110221,2.5649493574615367,2.833213344056216,2.833213344056216,0.0,0.0,0.0,0.0,0.0,4.330733340286331,2.0833333333333335,0.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.14285714285714285,5.0,0.7142857142857143,0,3.0,5.0,0.6666666666666666,2.5,0.666666666666667,0.25,0.32000000000000006,0.0,0.0,0.0,0.0,0.0,0.0,0.35714285714285715,0.08333333333333337,0.05,0.08000000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.5704761904761906,19.111484493755654,29.841472548148946,38.22296898751131,4.7778711234389135,19.111484508725457,1.6653345369377348E-16,2.0816681711721685E-17,-29.065068369255155,28.157556145732254,3.519694518216532,2.6702525943410116,0.0,141.6514183061335,4.0,3.4339872044851463,4.04305126783455,4.77912349311153,5.424950017481403,6.150602768446279,6.814542897259958,7.529943370601589,8.204398418149381,8.912338567117548,70.29293800448737,2.70805020110221,0.0,3.8501476017100584,0.0,5.10594547390058,0.0,6.408528791059498,0.0,7.738488122494646,8.049746290952191,110.109550448,5.004979565818181,14.501920711364175,1.8127400889205219,0.0,0.0,0.0,74.0,5.0,3.1279999999999997,30.0,1.2119522064046042,2.1000819312797296,3.084592552884195,3.671625004252164,4.604710986119265,5.908061863023691,6.238428019126376,0.0,0.0,0.0,78.55985168029758,92.49136860565011,100.65379118769492,70.63608520002134,142.52381955490858,71.52942488507178,6.338642126825622,0.0,0.0,0.0,288.32419449283907,363.6474175526506,496.83904847579356,361.70736239327596,635.9913633213351,677.8710274710407,193.91370219727875,0.0,0.0,0.0,8.830658107828535,14.948024606485468,22.126114390004297,25.456565730131256,32.453412544165225,42.05141017423704,41.91265406309188,0.0,0.0,0.0,2.1594538895058437,2.8775672968588575,4.19169045543637,3.3156446151042434,5.357553084400188,6.5788886706980305,2.7736856032751716,0.0,0.0,0.0,172.8497772450282,325.6333979552228,462.2675922726127,618.8591563717356,736.5183407243527,904.6574845116102,1153.595461619136,0.0,0.0,0.0,3.114293883598926,4.355028143299413,6.87791671846284,5.75028990194613,8.431211920757326,11.816123726047381,6.238428019126376,0.0,0.0,0.0,0.446769739063684,0.6025794079854037,0.8852309980033721,0.713943792231306,1.13485948605857,1.4179348471256858,0.638815029158541,0.0,0.0,0.0,309.221990704475,139.96333166221095,9.082653261843372,88.46505655521574,-40.04199061957182,-4.800349051506713,220.75693414925925,180.00532228178275,13.883002313350087,0.7775510739794151,0.3519434002858396,0.022838695211293555,0.22244892602058475,-0.10068718831927229,-0.012070669851040113,122.9735804310262,55.661604093373455,3.6120535569860897,35.181407127105295,-15.924181015897751,-1.909036640109562,0.136309921623069,0.16725829312662344,1.4082173288786182,1.8304966219516199,397.68704725969076,0.0,1.0,0.0,482.6585373208675,21.96949105739292,7.8441639846290485,623.3394365266508,24.966766641410555,8.542300954465826,772.6978419046993,27.797443082137956,9.176348518826634,1.5574217815274805,1.4913878534828757,649.116234510564,540.2785704947032,121.66616344028648,1.2014473087766635,5.335223994542649,4.440664151951096,4.465729446914855,4.487048683711823,7.752320619659638,0.7277103874091875,5.921137134261776,4.9204133142879725,4.483747976329737,10.062653366314613,2.32332298134178,7.896197812740913,5.436090958794274,6.15257239151205,4.761106124288735,2.286819660981066,8.8829450112151,4.1901135967491,6.245888175429241,0.004794834182433237,0.0043333723899251315,1.0540041915652382E-24,4.944638808393144E-68,4.47406940950071E-133,7.808125238869196E-220,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4969311392746295,4.908393893423761,0.22133185188025117,7.353494179924129,1.671395313786204,0.4492139538935204,0.4023142218314127,0.9080110387208539,1.8079002685591175,0.43237815920625,0.6273029574112283,0.19481227018993796,0.13767567256674595,3.3794197178899776E-5,3.052029606167211E-5,7.423437702147316E-27,3.4825495427315374E-70,3.151123667467484E-135,5.499326449094291E-222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6041272228198276,4.909197168408543,0.8165924694255785,7.7628357634195,1.7616376686005264,1.5823633469193505,1.0453133653696378,1.6826572497405587,2.392213241353128,0.6236411407261028,2.1026166713608383,0.7077112299968042,0.6991086922872195,3.519748168879392E-4,3.1804501623457454E-4,7.735794435692786E-26,3.629085129507356E-69,3.283713814412915E-134,5.730722160254152E-221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.5890711300259,4.919093727296051,4.125594533712432,9.845980002488067,2.268260608274352,7.303412675627661,4.99190268162805,5.726831358760655,4.573768537543954,2.1070428433336543,8.303306492232641,3.838464627560275,5.629481848889972,0.004272127311982503,0.0038609567833694618,9.390987588754084E-25,4.4055841572635395E-68,3.986315294766535E-133,6.956899013918158E-220,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3641826238143473,4.910238553729525,1.306810878696144,8.08649023828888,1.8363033239777833,2.4751250137796172,1.6008787240606084,2.3022806550155708,2.798818604936484,0.8105409462808235,3.177678778550175,1.149656572061695,1.2880193710913983,7.644777987442607E-4,6.908362745444678E-4,1.6803179222447649E-25,7.88285784369742E-69,7.132665196508159E-134,1.24478943091485E-220,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.150628083429907,4.925961974166636,5.920205191049271,10.922600258417598,2.5443979282053264,10.24643827066812,7.235165336427766,7.847747848351681,5.4621636070407815,3.0276733323637606,11.113372712777874,5.613669455517896,8.80346521375233,0.00699273743922583,0.00631981637355278,1.5371660564261682E-24,7.211290997108927E-68,6.525009753676563E-133,1.1387416840999629E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.223610260236718,4.589367140847772,1.6782639150832095,8.75093209163953,2.070912347455741,3.5273846597373466,2.156764543353138,2.9801120400389296,2.905355594214839,1.0299672243742966,4.408120355582426,1.6851614165915783,2.03191910314809,0.001305294287956137,0.0011795947526450261,2.8691229411227656E-25,1.3459886359331052E-68,1.2178941303744843E-133,2.125463203019214E-220,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.318188195047665,1.943809759094928,0.2892930745557578,0.7388578138486532,0.22731184713179012,0.6792168399564583,0.6570706218146772,0.3636284401112219,8.551291028698351,14.671494663459312,26.7756968924673,0.60828672077298,1.6999159018823575,4.848244182230608,1.046555900184228,0.058215637818810895,0.8144181722470442,0.17580264346138033,0.39965836885170164,0.1900240864698148,0.014725196119837452,5.953015720233647,5.4171281010594585,11.665527554806467,0.7216272583705663,0.6044076514413539,5.407988928693719,1.3882346492701334,0.14620939334735492,0.7789760378013877,0.19996370940948957,0.4974124342243305,0.3346873378965715,0.09288216258068703,6.942432971311207,8.501229340068974,16.541337755596924,0.6684640567020815,0.9249819347015891,6.2792694615704425,1.920054826042004,0.28317509414460446,0.7402617057744795,0.2263548442068129,0.6708640318360555,0.6410750176488716,0.34841101425584714,8.482499381757052,14.378386060773302,26.274997754713535,0.6103925586617192,1.6603500637407742,5.6674082670530685,1.5465844373841688,0.18699052957819706,0.7657642353525765,0.2089701311949957,0.5463460465911906,0.4155675438126267,0.1519221128179792,7.400983234015435,10.114073742302626,19.154052421568803,0.6486463530288648,1.1138357032217965,6.440926059220781,2.0187252771239255,0.30858729471921786,0.7345746768800304,0.23023156212606144,0.7058979618238619,0.7088104332389981,0.4137498516115255,8.768238631063923,15.613001163985613,28.393633826388818,0.6018620153200455,1.8284582466743853,6.278655322840422,1.9201107448385075,0.2827553779732441,0.7402746503764379,0.22638753638037448,0.6707323715836645,0.6411109913490775,0.34737896469978335,8.481521445652172,14.373958746904147,26.26429803370621,0.6104119755646568,1.6592223276325253 +UMLCN0251,L,"1,9-decadiene",C=CCCCCCCC=C,Olefins,,C10H18,Marquardt (2015),IQT,PubChem,,41,0,0.7742,0.59938564,40.84439999999999,29.602273999999973,0,0,28,10,18,0,10,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1460.930361999998,1516.3046729999992,1549.6682959999982,1401.5112789999966,1208.8188059999968,1012.062077,815.3053480000001,618.5486190000001,421.7918900000001,4794.676417250038,5876.911210413302,7308.37689329867,7277.061647426903,6394.598280195499,5387.7999352403785,4381.00159028526,3374.203245330138,2367.4049003750115,196.3375120000001,195.98202000000003,341.836064,454.4295639999997,418.41851999999983,355.53362,292.64872000000014,229.76382000000018,166.87892000000005,35.892032287282,45.143897580000015,61.50152115879205,65.37779063577207,58.13471339577209,49.113184536376075,40.091655676980054,31.07012681758399,22.048597958187983,4596.461297336483,3897.355063642201,7393.617591726794,10658.931180695974,9919.646633754373,8440.691478715778,6961.736323677182,5482.781168638585,4003.8260135999885,57.5,63.25,87.0,102.75,94.5,82.25,70.0,58.0,46.0,52.176084357142784,56.15943233333331,32.28475616666663,21.561711984615332,20.146980099999947,19.844354450980394,19.412032095238096,18.74389754545455,17.574662083333337,171.23844347321565,217.66337816345563,152.2578519437223,111.9547945757985,106.57663800325831,105.64313598510546,104.30956167345857,102.24858319182236,98.64187084895882,7.012054000000004,7.258593333333335,7.121584666666667,6.991224061538457,6.973641999999997,6.971247450980392,6.96782666666667,6.962540000000005,6.953288333333336,1.2818582959743572,1.6719962066666672,1.2812816908081677,1.0058121636272626,0.9689118899295348,0.9630036183603152,0.954563230404287,0.9415189944722421,0.9186915815911659,164.15933204773154,144.34648383860005,154.03369982764153,163.9835566260919,165.3274438959062,165.5037544846231,165.7556267542186,166.14488389813894,166.82608389999953,2.0535714285714284,2.3425925925925926,1.8125,1.5807692307692307,1.575,1.6127450980392157,1.6666666666666667,1.7575757575757576,1.9166666666666667,0.07780777512282461,-0.010798942411529566,-0.036998333028660534,0.0034817179450514647,0.0025449253097502653,3.000502276932753E-4,-0.001357789109866601,-1.003251112702999E-4,0.006691534356643243,778.2814864285712,-50.03238127040855,-365.66876187755156,-51.267748709183984,9.882939510203961,9.265255790816276,8.647572071428591,8.02988835204085,7.412204632653108,1447.2476578235742,-93.03734943151501,-679.9766773266311,-95.33456793599746,18.377748035854744,17.229138783613813,16.08052953137277,14.93192027913188,13.783311026891006,0.15245999999999976,-0.009800999999997048,-0.0716319999999975,-0.010043000000000427,0.0019359999999991285,0.0018149999999992018,0.001693999999999282,0.0015729999999993622,0.0014519999999994494,6.46987040260072,-0.4159202401671731,-3.039812125666355,-0.42618987572687667,0.08215708447746312,0.07702226669762197,0.07188744891778082,0.06675263113793967,0.06161781335809852,35.1444387114578,-2.259285345736802,-16.512307712050212,-2.3150701690880626,0.4462785868122322,0.4183861751364707,0.3904937634607004,0.3626013517849327,0.3347089401091641,8.60714285714285,-0.6033163265306116,-2.2908163265306127,-0.4630102040816328,-0.2653061224489795,-0.48086734693877514,-0.6964285714285711,-0.6619897959183669,0.6938775510204082,0.00277884911152945,-3.999608300566506E-4,-7.707986047637612E-4,5.356489146233023E-5,4.241542182917109E-5,5.883337797907359E-6,-3.232831213968098E-5,-3.040154886978785E-6,2.788139315268018E-4,27.79576737244897,-1.8530511581632796,-7.6180992057823245,-0.7887345955259074,0.16471565850339936,0.18167168217286817,0.20589457312925216,0.24332995006184394,0.3088418596938795,51.687416350841936,-3.445827756722778,-14.166180777638148,-1.466685660553807,0.30629580059757905,0.3378262506590944,0.38286975074697066,0.45248243270096605,0.5743046261204586,0.0054449999999999915,-3.629999999998907E-4,-0.0014923333333332813,-1.5450769230769887E-4,3.226666666665214E-5,3.5588235294102E-5,4.033333333331624E-5,4.766666666664734E-5,6.0499999999977056E-5,0.23106680009288286,-0.01540445333952493,-0.06332941928471574,-0.006556767318875026,0.0013692847412910519,0.0015102405234827837,0.001711605926613829,0.00202280700417999,0.0025674088899207714,1.2551585254092072,-0.08367723502728897,-0.34400641066771276,-0.035616464139816346,0.007437976446870537,0.008203650492871974,0.009297470558588105,0.010987919751058567,0.013946205837881837,0.30739795918367324,-0.022345049130763392,-0.04772534013605443,-0.007123233908948197,-0.004421768707482992,-0.009428771508603434,-0.016581632653061215,-0.02006029684601112,0.02891156462585034,-0.14393038772677955,-0.2773805175551693,0.019275926584170905,0.015263664965898805,0.0021171850509973285,-0.01163370548100318,-0.0010940338121869146,0.10033431839461966,-0.06666666666666721,-0.2740740740740746,-0.028376068376068556,0.005925925925925856,0.006535947712418267,0.007407407407407426,0.008754208754208794,0.011111111111111184,-0.06666666666666633,-0.27407407407407386,-0.028376068376068406,0.005925925925925872,0.006535947712418238,0.007407407407407279,0.008754208754208617,0.01111111111111097,-0.0666666666666467,-0.2740740740740649,-0.028376068376069624,0.005925925925923267,0.006535947712415437,0.007407407407404279,0.008754208754205219,0.011111111111106915,-0.0666666666666641,-0.27407407407407275,-0.028376068376068632,0.0059259259259254685,0.006535947712417821,0.007407407407406897,0.008754208754208194,0.011111111111110464,-0.06666666666667342,-0.27407407407407736,-0.028376068376067997,0.00592592592592685,0.006535947712419367,0.007407407407408511,0.008754208754209975,0.01111111111111251,-0.07269094820962038,-0.15525587828492407,-0.023172677944462202,-0.014384508990318125,-0.030672850052884223,-0.053941908713692956,-0.06525839305922294,0.09405255878284931,1.3724771004747056,1.222553880322029,0.7582809296407703,0.7838941512970948,0.8497699742873276,0.9437876183548588,1.0717551381268184,1.1162083773552867,1.4000000000000012,1.4000000000000015,0.9692307692307703,0.9100000000000009,0.9058823529411774,0.9000000000000008,0.8909090909090915,0.8750000000000006,1.3999999999999997,1.3999999999999992,0.9692307692307688,0.9099999999999995,0.905882352941176,0.8999999999999997,0.8909090909090909,0.8750000000000001,1.4000000000000001,1.4000000000000001,0.9692307692307693,0.9100000000000001,0.9058823529411766,0.9000000000000001,0.8909090909090911,0.8750000000000003,1.399999999999999,1.399999999999999,0.9692307692307687,0.9099999999999994,0.9058823529411759,0.8999999999999994,0.8909090909090903,0.8749999999999993,1.400000000000001,1.4000000000000008,0.9692307692307698,0.9100000000000007,0.9058823529411774,0.9000000000000008,0.8909090909090915,0.8750000000000004,1.3651452282157688,0.8659232365145235,0.7359719119055224,0.7711618257261417,0.8764949963387851,1.0269709543568473,1.2357600905318757,1.3724066390041505,64.35935879705971,32.17967939852984,52.2337563445202,64.35935879705968,6.435935879705969,32.179679398529885,-2.1316282072803006E-14,3.885780586188048E-16,3.8857805861880476E-17,-35.48403760118173,48.42517612062681,4.8425176120626805,3.8800198462637674,64.35935879705971,32.17967939852984,52.2337563445202,64.35935879705968,6.435935879705969,32.179679398529885,-2.1316282072803006E-14,3.885780586188048E-16,3.8857805861880476E-17,-35.48403760118173,48.42517612062681,4.8425176120626805,3.8800198462637674,64.35935879705971,32.17967939852984,52.2337563445202,64.35935879705968,6.435935879705969,32.179679398529885,-2.1316282072803006E-14,3.885780586188048E-16,3.8857805861880476E-17,-35.48403760118173,48.42517612062681,4.8425176120626805,3.8800198462637674,64.35935879705971,32.17967939852984,52.2337563445202,64.35935879705968,6.435935879705969,32.179679398529885,-2.1316282072803006E-14,3.885780586188048E-16,3.8857805861880476E-17,-35.48403760118173,48.42517612062681,4.8425176120626805,3.8800198462637674,64.35935879705971,32.17967939852984,52.2337563445202,64.35935879705968,6.435935879705969,32.179679398529885,-2.1316282072803006E-14,3.885780586188048E-16,3.8857805861880476E-17,-35.48403760118173,48.42517612062681,4.8425176120626805,3.8800198462637674,64.35935879705971,32.17967939852984,52.2337563445202,64.35935879705968,6.435935879705969,32.179679398529885,-2.1316282072803006E-14,3.885780586188048E-16,3.8857805861880476E-17,-35.48403760118173,48.42517612062681,4.8425176120626805,3.8800198462637674,94.19869734505816,46.716015339195735,77.40218998217738,93.58536401172478,9.35853640117248,46.716015339195735,-0.7666666666666941,1.1657341758564144E-15,1.1657341758564144E-16,-34.385425312513625,46.02510315016244,4.602510315016244,3.8291869682934347,0,11.789999999999992,12.21007878715558,-0.30694803936067566,0.11330872116077145,5.1206487262817335,7.47056647626182,9.0,27.0,25.0,25.0,7.0,2.0,2.0,0.0,0.0,2.0,19.677725999999996,3.5280496790094222,3.3771275767054254,3.1016245002893643,2.71405682883436,2.2599627592573635,1.8064384291220181,1.4243649432200878,1.1626615868402816,1.9195561342732523,1.7743607440763978,1.5677136769666422,1.3259678597174205,1.06916059384473,0.8293705962387685,0.6436258508032283,0.5289701272568039,3.55441671328929,3.403211277243572,3.1324381609294094,2.7556069875374782,2.317617517295701,1.8844171047052194,1.5243089058313548,1.2817374790792113,1.8621973860582406,1.7150597916853094,1.4989604638239766,1.238941459531127,0.9601505285961853,0.7000372479407528,0.49834172932482795,0.37334627761436606,3.6704105929498785,3.5192567483982624,3.269490995362295,2.939476425220943,2.569148644228233,2.215623865878498,1.9342614823112814,1.7540672328329612,1.693574693065451,1.5426668665359418,1.2970825389212104,0.976143694829875,0.6183610068602483,0.27857317777760404,0.009692289502048314,0.16139764752640112,3.5738446682804867,3.4225029965925975,3.155234664093455,2.78632646769326,2.3601010090878094,1.941428405094084,1.5965386098121204,1.3667506054069767,1.8256807780271351,1.6774623578669696,1.455169609575746,1.1828357079830842,0.8887999735547808,0.6141592356232118,0.40080086032857914,0.2681153662038356,3.726923838499399,3.576495941181968,3.3368943986317294,3.028767577411826,2.688352111383411,2.36706482432254,2.1145406107379343,1.9551029201767174,1.6410135551859641,1.4896557109883433,1.2345642340253549,0.8928576750436982,0.5060790698723856,0.13405366754800138,0.16459910360793897,0.3577311857407868,3.588550565434238,3.5535746407559796,3.2226160706170233,2.8257476469000866,2.3812590810027867,1.9641152852046073,1.6324238874909285,1.4127758456344246,1.9136871998132459,1.6769065126255758,1.3651652934429115,1.0615445074012444,0.7941005242500219,0.5476581449905945,0.3383425261341458,0.20119328348751575,0,0,2,2,0,0,6,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.6568542494923815,4.914213562373096,3.121320343559643,1.9571067811865475,1.2071067811865475,0.7285533905932737,0.42677669529663687,0.23927669529663687,0.7656854249492382,0.5460237291525663,0.39016504294495535,0.27958668302664963,0.20118446353109123,0.14571067811865474,0.10669417382415922,0.07975889843221229,6.811554787871632,4.1329931618554525,2.568914100752347,1.5664965809277263,0.9309036597828995,0.5332482904638631,0.2886751345948129,0.14372873928263244,0.6811554787871632,0.45922146242838363,0.32111426259404335,0.22378522584681804,0.15515060996381658,0.10664965809277263,0.07216878364870323,0.04790957976087748,14.876450234072873,26.99053168244719,25.52941176470589,25.839999999999993,17.186990419161674,213.9969904191617,0.5313017940740312,0.9639475600873997,0.9117647058823533,0.9228571428571426,0.6138210863986312,7.642749657827204,3.5513800000000026,47.55600000000002,34.34287175318626,54.77460084771694,68.68574350637252,6.868574350637252,34.342871753186266,1.1657341758564144E-15,1.1657341758564144E-16,-34.385425312513625,49.36979012827422,4.936979012827422,3.899338701264657,122,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,6.0,2.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,6.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.344063208616781,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7612889739229025,0.6441014739229025,0.0,0.0,1.594609552154195,0.5985721371882087,0.0,1.405390447845805,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.356957514487276,7.65593679138322,0.0,3.9871056941295038,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9935528470647519,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38064448696145126,0.32205073696145126,0.0,0.0,0.24256944444444445,0.29928606859410434,0.0,0.32205073696145126,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.678478757243638,1.1746917517006803,0.0,1.9935528470647519,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.678478757243638,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38064448696145126,0.32205073696145126,0.0,0.0,0.29928606859410434,0.29928606859410434,0.0,0.38064448696145126,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.678478757243638,1.3470833333333334,0.0,1.9935528470647519,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.0,1.9,0.38064448696145126,3.678478757243638,0.24256944444444445,1.1746917517006803,7.146063617409927,0.3253082482993197,0.6784787572436382,2.713915028974552,0.3253082482993197,0.6784787572436382,2.713915028974552,5.0,0.5,0.0,0.0,0.44286,0.7,0.425,0.425,0.7,0.01786,0.01786,-0.0,0.0,0.71429,0.0,0.0,0.2,0.0,0.0,6.5,0.65,4.5,0.45,2.0,0.2,-2.5,-0.25,0.0,0.0,8.10523,0.81052,10.82617,2.72094,0.27209,3.78445,0.37845,4.91421,1.12976,0.11298,-2.1E-4,-2.0E-5,-2.1E-4,-2.0E-5,0.0,9.0,0,0,0,0,0,0,0.6,0.9402859586706309,2.217021885879718,2.950212064914747,3.2359263506290326,3.09306920777189,3.0930692077718898,26.328006842777665,62.076612804632106,82.60593781761291,90.60593781761291,86.60593781761293,86.60593781761291,0.1955932053937423,0.4611729156312858,0.6136871757436253,0.6731199179369137,0.6434035468402697,0.6434035468402696,3.8670689633869726,2.590333036177886,1.8571428571428568,1.5714285714285712,1.7142857142857135,1.714285714285714,0.19355488619937233,0.4563669327037987,0.6072918086492582,0.6661051893522395,0.6366984990007489,0.6366984990007488,6.7790978643922335,15.610884967843282,17.920123093205632,18.20807310234849,16.493787388062774,16.493787388062774,39.20654966362498,28.559509383794218,24.20064581616689,23.277954476672488,26.37627720019981,26.37627720019981,10.0,9.0,9.142857142857142,10,2,10,2.56,1.431600000000001,0.1111111111111111,4.250401118884065,0.0,0.0,11.24058362962237,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.131,0.136,0.20700000000000002,0.29400000000000004,4.55,8.0,7.0,6.0,5.0,4.0,3.0,2.0,1.0,0.0,55.0,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.6094379124341003,0.0,4.31748811353631,1.3454545454545455,0.4444444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.7777777777777778,7.0,0.7777777777777778,1,5.0,9.0,0.8,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.0,0.0,0.05555555555555555,0.02777777777777779,0.017857142857142856,0.013333333333333336,0.01111111111111111,0.010204081632653062,0.010416666666666666,0.012345679012345675,0.0,0.0,0.15860134794658604,34.34287175318626,54.77460084771694,68.68574350637252,6.868574350637252,34.342871753186266,1.1657341758564144E-15,1.1657341758564144E-16,-34.385425312513625,49.36979012827422,4.936979012827422,3.899338701264657,0.0,176.24338755786684,4.321928094887363,3.5553480614894135,4.174387269895637,4.812184355372417,5.4510384535657,6.09807428216624,6.744059186311348,7.394493107219038,8.043342170441608,8.695004592732307,73.9679314791937,2.9444389791664403,0.0,3.9318256327243257,0.0,5.056245805348308,0.0,6.244166900663736,0.0,7.466799475018602,7.822845290279774,138.140850576,4.933601806285714,18.82909733129015,1.882909733129015,0.0,0.0,0.0,165.0,7.0,5.298,34.0,1.231296296296296,2.158219948193495,2.8992315353835383,3.6394252645741716,4.9769761809336535,6.017340614664753,7.343309180135518,8.484531817823417,9.78676139321,11.023970314214727,79.92377814440736,77.3128268468484,75.70739637170286,94.61798951217081,117.38587906743501,138.4625687752587,156.60817225886277,168.2117268548125,152.115818985765,75.88787282751865,293.1832348860977,349.5087281475151,357.5506108439518,457.7441489067393,581.0252248888077,698.0509288195107,809.6023139587826,900.1177400238754,898.39064234537,830.559704102127,8.971957185629629,15.413672799235544,20.324866452815733,25.57486973352861,34.82922886173181,42.12173522276813,51.27976320404804,59.17343584440843,67.85719246546174,76.3922380437387,2.1953159339340735,2.890110210433203,3.102919574490734,3.980268774677569,5.136279273048601,6.199535432449517,7.286482721306083,8.206648354645624,8.551032242913164,8.802846347783714,175.58673071808812,329.3478509294724,471.70204876571466,587.1489600496271,813.9857978913177,982.9530333454521,1208.872677911612,1402.1243238260167,1647.1715716635576,1853.0863015870227,2.955916666666666,4.011545112338294,4.736229185014569,6.186237147921776,8.387136248506799,10.572887301128741,13.42616875696977,17.04308029013556,20.423840813119106,22.68868467317318,0.4541691666666666,0.6089784622332228,0.6609520968162126,0.8476015161646422,1.0974655644469793,1.325430766862652,1.5617142673899023,1.7627183147344123,1.8506757226633863,1.9313869080719297,405.8289754953209,268.7762962041459,16.629359168457224,190.04420076898998,-125.86429131981772,-17.31532337586911,215.7847747263309,394.64058752396363,33.944682544326334,0.681066024887329,0.4510629222969505,0.027907547832092643,0.3189339751126711,-0.21122664408036423,-0.029058739452618974,241.822600648488,160.15658532372166,9.908989066948646,113.24224154283044,-74.99915504699631,-10.317736738022795,0.08550614895399253,0.15496311993933762,1.8215830217439506,10.292580984637702,595.8731762643108,0.0,1.0,0.0,600.034047781812,24.495592415408368,8.434486188951846,775.6745710156227,27.850934831987647,9.188117026756824,931.4283992835111,30.519311907110737,9.765994870014799,3.174375899735095,3.174375899735095,1796.7524373445788,1765.9440267971004,50.783809060528256,1.0174458590306261,35.380418889080644,34.773760760881586,4.975353127392138,7.064528488141851,12.931038861442795,0.8304178238007198,5.510183313280065,6.8811614555866365,4.633769215635841,30.643114189272836,13.029413619029281,1.911274352814146,8.660605054797646,8.566836719305703,20.450195609278843,0.08277241294548729,1.9397836633676253,10.607494378801146,2.0539854230488777,14.13181943283511,3.899692750133696E-6,4.328079488311805,3.054894803340214,2.5739824316881705,3.5935881326945465,9.349118528691068E-5,0.5924014202523024,0.3008117831478378,2.2244784092481766,7.009226329773272E-6,0.6215344972656358,8.732910248346395E-15,2.366620705905707E-50,1.237012897871071E-107,1.2470839810478076E-186,2.4248957834723976E-287,0.46245291805139943,6.880908026313996,0.3076341007191869,7.820195514002925,0.09530866264797137,0.16846040826722605,0.9330604485929942,0.14403426704491082,5.745830720477207,5.832646361833231E-4,0.1085337007010946,0.8292628561005462,0.11585904193798442,3.3908848731145724,2.6630429088929634E-7,0.1377857568846209,0.14446484028355944,0.13628231384211195,0.8421255722853085,7.235788024229184E-6,0.24823293658627432,0.008250929309809533,0.16820711722649076,4.937172603998063E-8,0.004377518284187314,6.150660092800089E-17,1.666830313911091E-52,8.712382984418365E-110,8.783314446697108E-189,1.7078739275291454E-289,1.4928023055109136,6.880925525422195,1.0466157058656025,9.489898373202314,0.9653838793139744,0.5241792930229954,2.4924820991807546,0.8437919774776297,7.767381825207867,0.006075776397866781,0.33113277625307735,2.6954922893480835,0.41124820877660173,5.1970083630522135,8.998374106609706E-7,0.4600713884809024,0.5396866014471527,0.4924745096030648,1.284588335296041,2.376013621935867E-5,0.28012938537962273,0.03783208346088317,0.5551687210107815,5.14450843657486E-7,0.04561711560556939,6.409462035083484E-16,1.7369657003880648E-51,9.078974798022844E-109,9.152890850561782E-188,1.7797363102573205E-288,5.201164875493476,6.881133830960265,4.317957431587967,28.188523002427065,11.611411448404995,1.80457112289519,8.18118552044092,7.690527857526872,19.203340540532185,0.0737489306332211,1.7741869797642438,9.962988797755564,1.8998788731149958,13.337596273419223,3.639010417768966E-6,3.882979875576397,2.806370624655033,2.3747275335696343,3.3829873785538034,8.782783904736252E-5,0.5577627046479299,0.272240032303961,2.0870030024845962,6.245098030075643E-6,0.5537760472409677,7.780865807956156E-15,2.1086164414056121E-50,1.1021562213888902E-107,1.1111293751841888E-186,2.1605384863597E-287,2.2001048587700187,6.880947701966016,1.5966822019143567,11.523575617832243,2.0882281254110913,0.768377052838051,3.5683014323762414,1.6268690649999986,9.446072782552248,0.01319668026077576,0.5288339037866664,4.0151156801923475,0.6437821165530899,6.551564963410724,1.3668407834395542E-6,0.8395817687813703,0.8700393165217267,0.7789722002758461,1.6237090140817159,3.542491593501063E-5,0.3134138917486613,0.0670868443160716,0.8305349923212929,1.117443249929873E-6,0.09908647075661987,1.392220801499836E-15,3.772921606111826E-51,1.9720746454090726E-108,1.9881301997358134E-187,3.8658250860402106E-288,6.654339497707793,6.881277486989655,5.860949452885501,40.93194571556736,18.990624053007338,2.3063590688524447,10.442883834947423,12.220928759091768,25.460350089710765,0.12071483355282327,2.6136462452034985,13.045912251831954,2.6648300587912326,17.22764978565705,4.908310839597098E-6,6.190193302734561,4.054944823599948,3.3685283181028045,4.421215388960505,1.1489470771702256E-4,0.7360595368060787,0.4187053182359092,2.7466497527462765,1.0222280994595388E-5,0.9064496514722856,1.273612886457237E-14,3.4514938808271526E-50,1.8040670551271582E-107,1.818754783444191E-186,3.536482604674722E-287,2.98872364110586,4.849636563526812,2.27522795652837,12.802875200587309,3.6306941435586455,0.8013674764868614,5.445886290066492,2.5238710900789276,10.579587118222639,0.02292975085276741,0.6791103524956466,4.8986222506354915,0.7516362790112445,8.981198097388772,1.5121063532710422E-6,1.3232832415445863,1.1034483162714277,0.9258763038559975,2.6109519478692857,4.959675707438751E-5,0.7162689715958245,0.1275156467417912,1.7154403039254962,1.9416512116968893E-6,0.17217022084920658,2.4190887114532946E-15,6.55573602743963E-51,3.426628525958645E-108,3.4545262632903254E-187,6.717162835103594E-288,12.997265088132808,0.8463007197684147,0.353934,0.9154615435106075,0.059609137610090304,0.502195174373829,0.6311576531796201,0.4285714285714287,14.197499807901224,15.899303419761393,33.98993381329,0.8731923152659113,1.561924256124878,12.711300657613327,0.2952312189296289,0.07225420758893046,0.9719021762299164,0.022573289067540022,0.48037046191847527,0.0769682042089161,0.017860965477740978,13.078786084131886,4.692549441547952,18.042489149689537,0.9578532643448745,0.5751996316051323,12.820990068613089,0.507122634921398,0.18047302309544658,0.9490993600713238,0.03754076445779886,0.4886722049119135,0.22708247487164024,0.1114302827568082,13.508585726629933,8.90717905765984,23.58916686046115,0.9236490401069858,0.8271849625403619,12.989779992852307,0.8319324457904931,0.3465798745749906,0.9168204400140705,0.05871790526331618,0.5016163311338668,0.6099900905481788,0.4109465383733723,14.16829231321779,15.596946803130443,33.51059592635091,0.8752306600211058,1.522552960055418,12.871492298502,0.6044663984396055,0.23022635706620326,0.9391010151827962,0.044101724590596726,0.4925233980829689,0.3225214503593109,0.1813379614693055,13.706185054007808,10.882905470990108,26.380340126238426,0.9086515227741941,0.9963828099115853,13.020840630884539,0.8915359740183653,0.3770903026168139,0.9112194818151281,0.06239112905948937,0.5040210452473175,0.7001162404580842,0.48648491062291466,14.289466907519719,16.85477013845547,35.521707861788414,0.8668292227226921,1.6906221963283166,13.138116511549725,0.8301109014146373,0.34615333072789467,0.917826397578473,0.05799139454778245,0.513138161967781,0.6073184425928985,0.4099356380552861,14.314380743692256,15.74124218365537,33.83080360078072,0.8767395963677094,1.5303922426159655 +UMLCN0252,L,1-nonene,CCCCCCCC=C,Olefins,,C9H18,NREL (2014),Unknown,PubChem,,51,0,-0.4256000000000011,0.18113536000000094,35.055699999999995,27.84227399999997,0,0,27,9,18,0,9,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1316.666240999998,1372.0405519999995,1395.3292149999982,1235.0651099999966,1040.3405089999983,843.5837800000002,646.8270510000002,450.07032200000015,253.31359300000003,4371.159515500713,5453.394308663973,6832.290864040682,6686.239001798397,5741.608145705134,4734.809800750015,3728.0114557948973,2721.2131108397707,1714.4147658846414,188.79699600000006,188.441504,340.614844,446.0907119999997,396.6427399999999,333.75784000000004,270.8729400000002,207.98804000000013,145.10314,33.10313228728198,42.35499758000001,58.488302658490056,61.251027825470096,53.11872477577209,44.09719591637607,35.07566705698001,26.05413819758398,17.032609338188,4469.666941246483,3770.5607075522007,7483.535991972392,10595.727033228672,9486.607182238575,8007.652027199978,6528.696872161381,5049.741717122784,3570.7865620841885,48.5,55.25,80.5,94.25,84.0,71.75,59.5,47.5,35.0,48.76541633333326,52.77079046153844,29.069358645833294,19.297892343749947,18.251587877192954,17.574662083333337,16.585309000000006,15.002344066666671,12.062552047619048,161.89479687039676,209.74593494861435,142.33939300084754,104.47248440309995,100.72996746851112,98.64187084895865,95.59003732807429,90.70710369465903,81.63879837545912,6.992481333333336,7.247750153846154,7.096142583333333,6.9701673749999955,6.958644561403506,6.953288333333334,6.945460000000005,6.932934666666671,6.909673333333333,1.2260419365659994,1.6290383684615388,1.2185063053852094,0.9570473097729703,0.9319074522065278,0.9186915815911681,0.8993760783841028,0.8684712732527994,0.8110766351518095,165.54322004616603,145.02156567508464,155.90699983275817,165.558234894198,166.43170495155394,166.82608389999953,167.40248390157387,168.32472390409282,170.03745533734232,1.7962962962962963,2.125,1.6770833333333333,1.47265625,1.4736842105263157,1.4947916666666667,1.5256410256410255,1.5833333333333333,1.6666666666666667,0.0577260655285029,-0.00761228159256382,-0.02705132740569015,0.0016748763454637345,0.001197881232899517,2.0044810567710486E-5,9.89792996644828E-5,0.001767956216393248,-0.0017634877866134803,726.3960540000007,-53.807115111110456,-322.84269066666633,-26.90355755555589,-3.304023721284466E-13,-2.7355895326763857E-13,-2.7355895326763857E-13,-2.4513724383723456E-13,-1.8829382497642655E-13,1350.7644806353373,-100.05662819521055,-600.3397691712612,-50.02831409760529,-2.2026824808563106E-13,-1.0658141036401503E-13,-1.0658141036401503E-13,-4.973799150320701E-14,7.105427357601002E-15,0.14229599999999987,-0.01054044444444254,-0.06324266666666509,-0.005270222222222495,-4.44956571588051E-16,-4.44956571588051E-16,-4.44956571588051E-16,-4.518954654919582E-16,-4.588343593958655E-16,6.038545709094,-0.44729968215509536,-2.6837980929306533,-0.2236498410775578,-3.552713678800501E-15,-3.552713678800501E-15,-3.552713678800501E-15,-3.774758283725532E-15,-3.774758283725532E-15,32.80147613069398,-2.4297389726441825,-14.578433835864113,-1.2148694863219611,4.529709940470639E-14,4.3520742565306136E-14,4.3520742565306136E-14,4.707345624410664E-14,4.618527782440651E-14,5.685185185185187,-0.4838820301783274,-1.4218106995884772,-0.07784636488340149,-0.020576131687241928,-0.09773662551440268,-0.17489711934156343,-0.002057613168724659,0.3004115226337447,0.002138002426981589,-2.9278006125245463E-4,-5.635693209518781E-4,2.616994289787085E-5,2.1015460226307315E-5,4.176002201606351E-7,2.537930760627764E-6,5.893187387977493E-5,-8.39756088863562E-5,26.903557555555583,-2.069504427350402,-6.7258893888888815,-0.42036808680556076,-5.796532844358712E-15,-5.6991448597424705E-15,-7.014332135067656E-15,-8.171241461241152E-15,-8.966372617925073E-15,50.02831409760509,-3.848331853661944,-12.507078524401274,-0.7816924077750826,-3.864355229572475E-15,-2.220446049250313E-15,-2.7328566760003855E-15,-1.6579330501069005E-15,3.383536836952858E-16,0.005270222222222217,-4.054017094016361E-4,-0.0013175555555555226,-8.234722222222649E-5,-7.806255641895632E-18,-9.269928574751063E-18,-1.1409142861232077E-17,-1.5063182183065275E-17,-2.1849255209326927E-17,0.22364984107755553,-0.01720383392904213,-0.05591246026938861,-0.0034945287668368408,-6.232831015439475E-17,-7.401486830834377E-17,-9.109522253334617E-17,-1.258252761241844E-16,-1.7975039446312059E-16,1.214869486321999,-0.09345149894785318,-0.3037173715805023,-0.018982335723780643,7.946859544685331E-16,9.066821367772111E-16,1.1159164760334907E-15,1.5691152081368879E-15,2.1992989440193578E-15,0.21056241426611802,-0.018610847314551055,-0.029621056241426608,-0.0012163494513031483,-3.6098476644284085E-4,-0.0020361796982167227,-0.004484541521578549,-6.85871056241553E-5,0.014305310601606891,-0.1369409396161438,-0.26359620262336175,0.012240370996592984,0.009829483802774134,1.953226127765435E-4,0.001187057006390208,0.02756398829863555,-0.039277602226538234,-0.0769230769230759,-0.24999999999999947,-0.015625000000000177,-2.1545599805486424E-16,-2.1183610561442635E-16,-2.6072136075621703E-16,-3.0372345532250217E-16,-3.332783257162032E-16,-0.0769230769230772,-0.25000000000000006,-0.015625000000000062,-7.724336306902386E-17,-4.438378724732218E-17,-5.4626199689011913E-17,-3.313989447800056E-17,6.763243771020522E-18,-0.07692307692306309,-0.249999999999994,-0.015625000000000826,-1.4812004717713939E-15,-1.7589255602285302E-15,-2.1648314587428064E-15,-2.8581683177514675E-15,-4.145793913053266E-15,-0.07692307692307422,-0.24999999999999878,-0.01562500000000016,-2.7868703082503436E-16,-3.3094084910472827E-16,-4.073118142827425E-16,-5.62599443478038E-16,-8.037134906829116E-16,-0.07692307692308277,-0.2500000000000021,-0.01562499999999951,6.54132780035849E-16,7.463206105556071E-16,9.185484437607472E-16,1.2915915872472547E-15,1.810317049510977E-15,-0.08838636933099489,-0.14067589576547226,-0.005776669381107459,-0.0017143836790673023,-0.009670195439739352,-0.021297920320721576,-3.257328990228612E-4,0.0679385760818985,1.4652881776736357,1.2622125947540819,0.8029478772100223,0.8259172115277192,0.8717721736349773,0.9260762396479317,0.9942313177184777,1.2587234465333972,1.4999999999999993,1.3993055555555551,0.9479166666666664,0.9122807017543856,0.9027777777777775,0.8888888888888885,0.866666666666666,0.8253968253968246,1.499999999999998,1.3993055555555534,0.9479166666666652,0.9122807017543846,0.9027777777777766,0.8888888888888877,0.8666666666666658,0.8253968253968246,1.4999999999999991,1.3993055555555547,0.9479166666666662,0.9122807017543856,0.9027777777777772,0.8888888888888886,0.8666666666666664,0.8253968253968252,1.5000000000000004,1.399305555555556,0.947916666666667,0.9122807017543862,0.902777777777778,0.8888888888888891,0.8666666666666669,0.8253968253968256,1.5,1.399305555555555,0.9479166666666664,0.9122807017543861,0.9027777777777778,0.8888888888888888,0.8666666666666664,0.825396825396825,1.4511400651465793,0.8932206840390876,0.723508754071661,0.7722441282358989,0.8694014657980453,1.0114006514657978,1.2004885993485337,1.4699860400186129,53.38801749284855,26.694008746424277,43.07987780179917,53.38801749284855,5.932001943649839,26.694008746433813,3.552713678800501E-15,0.04703164677870769,0.005225738530967521,-2.751241111329312,63.13970137799454,7.0155223753327265,3.7308147782371894,53.38801749284855,26.694008746424277,43.07987780179917,53.38801749284855,5.932001943649839,26.694008746433813,3.552713678800501E-15,0.04703164677870769,0.005225738530967521,-2.751241111329312,63.13970137799454,7.0155223753327265,3.7308147782371894,53.38801749284855,26.694008746424277,43.07987780179917,53.38801749284855,5.932001943649839,26.694008746433813,3.552713678800501E-15,0.04703164677870769,0.005225738530967521,-2.751241111329312,63.13970137799454,7.0155223753327265,3.7308147782371894,53.38801749284855,26.694008746424277,43.07987780179917,53.38801749284855,5.932001943649839,26.694008746433813,3.552713678800501E-15,0.04703164677870769,0.005225738530967521,-2.751241111329312,63.13970137799454,7.0155223753327265,3.7308147782371894,53.38801749284855,26.694008746424277,43.07987780179917,53.38801749284855,5.932001943649839,26.694008746433813,3.552713678800501E-15,0.04703164677870769,0.005225738530967521,-2.751241111329312,63.13970137799454,7.0155223753327265,3.7308147782371894,53.38801749284855,26.694008746424277,43.07987780179917,53.38801749284855,5.932001943649839,26.694008746433813,3.552713678800501E-15,0.04703164677870769,0.005225738530967521,-2.751241111329312,63.13970137799454,7.0155223753327265,3.7308147782371894,69.85826145777446,34.6883899881465,56.8886803463911,69.58000559207056,7.731111732452286,34.6883899881465,-0.48148148148145964,0.08495425255159728,0.009439361394621919,-2.219078135386434,47.15445712733285,5.239384125259205,3.4680856818726946,0,11.789999999999997,12.2100686043796,-0.3069480375708571,0.11329804492837137,5.1141564854866335,7.369861535712455,8.0,26.0,25.0,25.0,7.0,1.0,1.0,0.0,0.0,1.0,19.677725999999996,3.5115903096902077,3.3163599297157753,2.988341240443144,2.5620299620374825,2.0975344061203525,1.6674397317228284,1.3345978273802337,1.1284818875142886,1.9180702465783372,1.7648816185030847,1.539930246347801,1.2752867491227193,1.006292201299592,0.7759035113815291,0.6128799948182161,0.5195791177509381,3.5389716989327957,3.346441095525779,3.026321315829377,2.6129086773279835,2.165640679800605,1.7557849232128258,1.4428570309055513,1.2517381566146912,1.8586148950304204,1.6992183206573903,1.4617580021402155,1.178337247155759,0.888817845776704,0.6402824088911434,0.4638800734535324,0.36269030652963014,3.659489250602549,3.479210345197167,3.1928481915065388,2.833793230351124,2.456083844162606,2.122547386877527,1.878694684702991,1.7355468570620622,1.6835575657991324,1.505779444186518,1.2258527362308724,0.8769733023525254,0.5116993682059829,0.19090484800784271,0.0422640039344908,0.1784851220610299,3.55915231306904,3.3686341683648964,3.054301709304678,2.6503069711872635,2.2154550438695377,1.819860123188776,1.5205461262704463,1.3393594111204277,1.8207354700894451,1.657359054800664,1.411410082585276,1.1151296553734709,0.8112699914499971,0.5497170337087426,0.36352131464931653,0.2564776301172225,3.7182032134042755,3.5440451393065033,3.2731517830551184,2.9384410217055104,2.590174270029013,2.2863844096489054,2.067135746254853,1.9397683095140041,1.6289425345738717,1.4455109989143087,1.150810570446853,0.7784740118765701,0.3842517092634438,0.03338075309771422,0.22537427372632318,0.3783872492576275,3.648063016258042,3.4083039925298957,3.116994092726257,2.710178461757391,2.269913004555112,1.879041347220185,1.5920068343166596,1.4199277524443428,1.8645036368257273,1.6281585973536978,1.3097475725522971,0.9877013884876702,0.7018469091017733,0.4535250132940059,0.26394589216659786,0.15082689352655054,0,0,1,1,0,1,6,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.949747468305834,4.414213562373095,2.767766952966369,1.7071067811865475,1.0303300858899105,0.6035533905932737,0.33838834764831843,0.17677669529663687,0.7721941631450926,0.5517766952966369,0.39539527899519555,0.2845177968644246,0.2060660171779821,0.15088834764831843,0.11279611588277282,0.08838834764831843,6.52709773749546,4.023603362114273,2.491563831562721,1.5118016810571369,0.8922285251880866,0.5059008405285684,0.26933756729740643,0.12319981995668611,0.72523308194394,0.5029504202642842,0.3559376902232459,0.25196694684285614,0.1784457050376173,0.1264752101321421,0.08977918909913547,0.061599909978343054,13.876450234072873,25.99053168244719,24.52941176470589,24.839999999999996,16.18699041916167,207.25429580838326,0.5139426012619582,0.9626122845350812,0.9084967320261441,0.9199999999999998,0.5995181636726544,7.676085029940121,3.4590900000000024,43.30300000000001,27.742189319152196,44.32390805791539,55.48437863830439,6.164930959811599,27.74218931915535,1.2212453270876722E-15,1.356939252319636E-16,-30.905014767190856,2000019.3289432311,222224.36988258123,13.057800662654222,96,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,7.0,1.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,6.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.684377283320735,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3775580672083648,0.31814448696145126,0.0,0.0,1.6042974458301842,0.2902777777777778,0.0,0.6957025541698161,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.243552847064752,3.678478757243638,8.072069869614513,0.0,2.0058985260770976,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0058985260770976,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3775580672083648,0.31814448696145126,0.0,0.0,0.20699266975308644,0.2902777777777778,0.0,0.31814448696145126,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.243552847064752,3.678478757243638,1.1981292517006803,0.0,2.0058985260770976,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.678478757243638,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3775580672083648,0.31814448696145126,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.3775580672083648,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.243552847064752,3.678478757243638,1.4070833333333332,0.0,2.0058985260770976,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.0,1.7777777777777777,0.3775580672083648,3.678478757243638,0.20699266975308644,1.1981292517006803,6.591360339191232,0.3018707482993197,0.6784787572436382,1.8558602607709749,0.3018707482993197,0.6784787572436382,1.8558602607709749,4.5,0.5,0.0,0.0,0.43333,0.7,0.42414,0.42414,0.7,0.0092,0.0092,-0.0,0.0,0.71429,0.0,0.0,0.22222,0.0,0.0,5.0,0.55556,4.0,0.44444,1.0,0.11111,-3.0,-0.33333,0.0,0.0,8.03117,0.89235,9.36685,1.33569,0.14841,3.84933,0.4277,4.41421,0.56488,0.06276,-2.1E-4,-2.0E-5,-2.1E-4,-2.0E-5,0.0,8.0,0,0,0,0,0,0,0.7777777777777778,0.9182958340544896,1.9782990980624295,3.0241817261190036,3.5319412055466595,3.4504696892422233,2.9719628544813346,24.79398751947122,53.4140756476856,81.6529066052131,95.36241254975981,93.16268160954003,80.24299707099604,0.193126721428565,0.41605592081038834,0.6360154104051892,0.7428022648148099,0.7256679969131263,0.6250332638004779,3.8365916681089796,2.7765884041010396,1.7307057760444655,1.2229462966168096,1.3044178129212458,1.7829246476821345,0.193126721428565,0.41605592081038834,0.6360154104051892,0.7428022648148099,0.7256679969131263,0.6250332638004779,6.732876570223358,14.68947561039745,18.534232823251497,19.04596553685398,16.173165983562683,15.690914817507572,35.548875021634686,25.866290375229028,20.332264941327125,19.030800472498253,23.50953273627143,24.899120786612293,9.0,8.0,8.0,9,2,9,2.45,1.3337000000000006,0.12499999999999997,4.141993257674248,0.0,0.0,9.333258269463991,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.10799999999999998,0.1,0.16700000000000004,0.167,4.158,7.0,6.0,5.0,4.0,3.0,2.0,1.0,0.0,0.0,45.0,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.0,0.0,3.9889840465642745,1.1777777777777778,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.75,7.0,0.875,1,4.0,8.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.0,0.0,0.0,0.0625,0.03174603174603176,0.020833333333333332,0.016000000000000004,0.013888888888888888,0.01360544217687075,0.015625,0.0,0.0,0.0,0.17419869614512473,27.742189319152196,44.32390805791539,55.48437863830439,6.164930959811599,27.74218931915535,1.2212453270876722E-15,1.356939252319636E-16,-30.905014767190856,2000019.3289432311,222224.36988258123,13.057800662654222,0.0,161.58386163280014,4.169925001442312,3.4339872044851463,4.04305126783455,4.672828834461906,5.303304908059076,5.942799375126701,6.580639137284949,7.223295679562314,7.8636512654486515,8.507344855361422,70.57090252762471,2.833213344056216,0.0,3.8066624897703196,0.0,4.919980925828125,0.0,6.09807428216624,0.0,7.311218384419629,7.671360923190644,126.14085057599999,4.671883354666666,16.82976753783411,1.8699741708704565,0.0,0.0,0.0,120.0,6.0,5.095,30.0,1.2296153846153843,2.138260878438516,2.873426563492844,3.6118053043821607,4.9479299309937685,5.971918930497452,7.290492352709666,8.400216133907445,9.72700823474336,10.787026603094985,75.7402924013846,69.49443052094173,67.57389813057226,85.45666489310639,103.59325881226506,117.78643143351371,124.57253420702179,114.28971724480942,57.65276042082963,10.960309398447102,283.26335392002323,325.210049764104,331.07867092428216,429.5150961741584,538.6076584681213,634.286999731447,711.0303112984246,733.8638144087296,662.6482055543585,335.3011781002503,8.946671626461539,15.22024602581898,20.083180658054257,25.32209386072349,34.53110190155381,41.66142719109138,50.682712759473546,58.19631426706068,67.06978768202049,72.47224989993595,2.140668073514615,2.732434706173263,2.9271120614777564,3.7970208749892445,4.863264252060563,5.788329582361244,6.65437682434894,7.140371023711144,7.2058685212204665,4.796051232685502,176.1587207796944,330.00741165415565,471.99253058002165,586.951338959328,816.1513908749631,985.9145372070477,1216.8554489430942,1416.6505956159983,1661.7526991668217,1994.7116317674352,2.68214423076923,3.680866456974794,4.363046165933907,5.7110284486915255,7.695203426454216,9.561579622657009,11.967215763206097,14.594648895188019,16.598831021512893,10.787026603094985,0.4436065384615385,0.5774558873503236,0.6256467179996494,0.8109399217228728,1.042991209233117,1.2433465727186326,1.4357510339561412,1.5502562356839906,1.588694514933475,1.1045915241569264,431.73389401835277,241.21119060111138,13.127809801830294,205.73707784721697,-114.94600304930233,-14.600257498756285,225.9968161711358,356.1571936504137,27.72806730058658,0.6772604762768664,0.37838772469153004,0.020593580541262185,0.3227395237231333,-0.18031566631639845,-0.022903407595217043,275.2178250071863,153.7651320973417,8.368597672839112,131.1514149640478,-73.27474027590152,-9.307240337219744,0.1013593817842608,0.18369399427476046,2.083075459669398,8.676946458492704,637.4709718655699,0.0,1.0,0.0,517.3025159024309,22.744285346047494,8.027522475907292,692.306102255425,26.31171036355153,8.846389420618456,797.4056523287195,28.23837198438889,9.273131887466931,3.181714880191744,3.181714880191744,1362.1126815198982,1335.0886776496795,50.37025088234623,1.0202413549920837,27.042007090683196,26.505499858798633,4.738871124513303,5.904073573246196,11.448557480407048,0.9390946502233996,5.265196637563243,6.760431368760083,3.719840485252405,27.86440736025681,12.361401476058784,1.0274022020438822,6.415342666095006,8.538107365582688,16.962659542109215,0.646267268390657,2.064652774546231,11.401828847370146,3.241743415376704,9.71820656993156,1.2436636696647896,2.736081001590592,1.1743942411357842,2.0759628919067463,1.1343846377798115,1.7262940706710663,0.07714252965484848,1.5349746992849875,1.2434231089618557E-13,1.9427304722929632E-48,5.854395723709754E-105,3.4027300968715533E-183,3.8145985093757786E-283,0.0,0.0,0.0,0.44188217635327076,6.760117551713784,0.25061527139790013,6.9605997368122,0.09043180394850688,0.08483535119648163,0.7812597306683119,0.23915218700376983,4.964464643319539,0.023086828377216092,0.06360814912867614,0.7483429806448743,0.13269491105238973,2.69967287577142,0.05642037219928179,0.1109060405878297,0.07060772345904684,0.08850302900914016,0.5526044694610478,0.13944142454106345,0.006424722318094367,0.010810952314708255,8.757530625263499E-16,1.3682809564270507E-50,4.123298776842392E-107,2.3965706297463237E-185,2.6866529203268714E-285,0.0,0.0,0.0,1.4264234873016306,6.7601391581759955,0.8495836847513721,8.483709723877274,0.9159136801902089,0.2675499457778936,1.9222940734935055,1.0865796011400886,6.5923131169598355,0.0950526566054726,0.24911600743061607,2.5235330007039103,0.5201850205128531,3.9289820118767484,0.21372858201601802,0.37272731833253486,0.2453647254529516,0.3421806521795644,0.6713001650182258,0.45371484651650873,0.020772282298740417,0.11265845840730748,9.12602212068488E-15,1.4258542516132414E-49,4.2967952334764886E-106,2.497411372762465E-184,2.799699485009559E-284,0.0,0.0,0.0,4.96991678244946,6.7603971395999425,3.468834712376892,25.61402469576639,11.016106227152532,0.9662732706426409,6.067243501643841,7.730564174836831,15.937611530097168,0.5885750267408786,1.863278635674924,10.608330786475193,2.9639822344663305,9.216607946155534,1.1408994649766289,2.478425909645222,1.0889385330286596,1.9005175812831847,1.0987479401591664,1.6257388255005585,0.07278229849069053,1.3676348220807457,1.1078676040642717E-13,1.730937874782478E-48,5.216161189963384E-105,3.0317712551167645E-183,3.398738595567576E-283,0.0,0.0,0.0,2.102280232109181,6.760166594703979,1.2931728664648885,10.343968830415497,1.981195481382932,0.39585298716785483,2.708251288106412,1.919675002626966,7.953622890033653,0.16085642100717729,0.44265921593754304,3.8607394544523403,0.8595637282924802,4.833235068318322,0.34696393047330043,0.6338254576093868,0.3803390795522663,0.5614559096536769,0.752798272184331,0.6723151330632544,0.03064739878524591,0.24470922583054916,1.9822939525687736E-14,3.0971459665991755E-49,9.333213413367842E-106,5.424711222299761E-184,6.081321395841479E-284,0.0,0.0,0.0,6.358485034156203,6.760575155182974,4.693054594372552,37.29868041748966,18.0169521218521,1.2576247050218048,7.707813115382438,11.868121433664859,21.087822674811108,0.8820636700418354,2.8998033733542385,14.500229741616831,4.369435360770159,11.657070502325713,1.6583091403271493,3.8001341963483766,1.5111027139259754,2.7866147486799115,1.2663546020411895,2.102475845517553,0.09332163049840624,2.238616339570604,1.813415745561347E-13,2.8332898129738435E-48,8.538085957712376E-105,4.962562052360614E-183,5.563233423956805E-283,0.0,0.0,0.0,3.030587938956305,5.358143719168037,1.9667448190867771,12.750510730892984,3.926920085948234,0.4805234548418116,4.2084404790190195,3.0698921637104437,9.644354812841,0.24262479728640574,0.7366866827053837,5.588766889450246,1.2517833046533906,7.039794441041614,0.4915797484883759,1.0991292755926005,0.5170252116357337,0.8477667074680367,1.3497202407816986,1.5938955107323052,0.04861379483088247,0.48567558844564057,3.934268430699622E-14,6.146920634989454E-49,1.8523673969550395E-105,1.076645069713265E-183,1.20696280960718E-283,0.0,0.0,0.0,11.276708144975135,0.8098277509014268,0.4289811166666667,0.901018162787319,0.06470589669526285,0.5239125319174452,0.6122495975691133,0.5185086334082133,12.515517012543228,14.317086859861893,30.750141448685433,0.8515272441809787,1.6546707628947717,10.554331087530464,0.30705362387616175,0.09248156389819623,0.9635256467686575,0.028031529339408254,0.45893677170276254,0.08802106613175222,0.024098497819901924,10.953866275304822,4.245223452225904,15.49879894955617,0.9452884701529863,0.5710563356544167,10.841235669131137,0.5067393257675845,0.22612826387458743,0.9366803999189613,0.04378216734704436,0.4842281864914064,0.2397295678237227,0.14407523546464657,11.57410325877331,8.059778337551679,20.876158019548335,0.905020599878442,0.8680329897797756,11.25882411059646,0.7973804938560467,0.42065033583858785,0.9023767739928363,0.06390877329839688,0.5222519964143718,0.5935739044208569,0.49856538350511065,12.476854940291094,14.049013245347446,30.3022846454353,0.8535651609892545,1.6143912843403394,10.969120909136585,0.5957474028857761,0.2857000988739961,0.9256198123839108,0.05027163105003457,0.4957202001087248,0.33134013960385067,0.22998548245392542,11.850568410896356,9.838909313767717,23.556477957157938,0.8884297185758662,1.057045822166501,11.33269828620406,0.8487967850259399,0.45506256721966215,0.8968184699068434,0.0671699373604152,0.5291282699052546,0.6725884977220171,0.5834744809248932,12.636557638449661,15.162500290686571,32.176376604404254,0.8452277048602651,1.7851912485521648,11.352877214450508,0.7970024321681608,0.4208652577027026,0.9031188923854303,0.06340136867260586,0.531012941875598,0.593017602315772,0.49907497527806294,12.570744904321371,14.161732980554536,30.540580686690124,0.8546783385781455,1.623105519469433 +UMLCN0253,L,7-hexyl-7-pentadecene,CCCCCCCC=C(CCCCCC)CCCCCC,Olefins,,C21H42,NREL (2014),Unknown,UML,,47,0,-2.9375000000000053,8.628906250000032,78.828,64.96530599999994,0,0,63,21,42,0,21,0,0,0,0,0.0,0.0,0.0,0.0,0.0,3072.2212289999966,3393.780116000005,3818.7156200000063,3854.3635400000035,3850.299284000004,3850.299284000004,3850.2992840000047,3850.2992840000047,3630.3493140000073,10199.372202835024,13289.275922548388,17852.677873548742,19198.87724543189,19074.542267708173,19074.542267708173,19074.542267708177,19074.542267708177,18791.593184708916,440.52632399999965,449.75086400000043,852.5943200000008,1161.2444960000028,1134.3706400000026,1134.3706400000026,1134.3706400000024,1134.3706400000024,1135.1215440000021,77.24064200365785,102.5468610199999,150.40914587122515,170.19240808912858,168.41395646973254,168.4139564697325,168.4139564697325,168.4139564697325,167.73897071033647,10429.222862908458,8967.0341257418,18643.01950087368,27181.026598300403,26441.355990203414,26441.355990203414,26441.355990203414,26441.355990203414,26366.831956203812,96.77777777777777,117.58333333333334,192.58333333333337,240.25000000000003,236.25000000000003,236.25000000000003,236.41666666666669,236.33333333333337,236.91666666666669,48.76541633333328,54.73838896774201,31.82263016666672,23.219057469879537,23.767279530864222,23.767279530864222,23.767279530864226,23.767279530864226,22.409563666666713,161.89479687039722,214.34316004110303,148.7723156129062,115.65588702067403,117.74408807227267,117.74408807227267,117.7440880722727,117.7440880722727,115.99748879449947,6.992481333333328,7.254046193548394,7.104952666666674,6.995448771084354,7.002287901234584,7.002287901234584,7.002287901234583,7.002287901234583,7.006923111111124,1.2260419365659976,1.653981629354837,1.2534095489268762,1.0252554704164372,1.039592323887238,1.0395923238872378,1.0395923238872378,1.0395923238872378,1.0354257451255338,165.543220046166,144.62958267325484,155.358495840614,163.741124086147,163.2182468531075,163.2182468531075,163.2182468531075,163.2182468531075,162.75822195187538,1.5361552028218695,1.8965053763440862,1.6048611111111115,1.4472891566265063,1.4583333333333335,1.4583333333333335,1.4593621399176957,1.4588477366255146,1.462448559670782,0.09703724860983079,-0.003240464260032873,-0.040607552480135554,-0.004813273039646228,-4.403293792380114E-4,3.028722769695319E-4,0.004074971560296132,0.0028643925983088047,-0.018256390178622253,1694.9241259999992,-53.80711511110577,-605.3300449999948,53.807115111112246,1.3677947663381929E-12,1.2541079286165768E-12,1.3677947663381929E-12,1.4814816040598089E-12,-322.84269066666525,3151.7837881491137,-100.05662819522408,-1125.6370671961265,100.05662819520761,-3.602451670303708E-12,-3.82982534574694E-12,-3.82982534574694E-12,-4.284572696633404E-12,-600.3397691712674,0.3320240000000003,-0.010540444444462064,-0.11858000000001528,0.01054044444444266,-2.9004576518332215E-15,-2.8727020762175925E-15,-2.9004576518332215E-15,-2.9282132274488504E-15,-0.0632426666666705,14.08993998788603,-0.447299682155081,-5.032121424244972,0.4472996821551104,1.304512053934559E-15,2.192690473634684E-15,1.304512053934559E-15,1.304512053934559E-15,-2.683798092930658,76.53677763828584,-2.429738972645456,-27.334563442246264,2.4297389726438334,-2.6711965972481266E-13,-2.6001423236721166E-13,-2.5290880500961066E-13,-2.5290880500961066E-13,-14.578433835864326,5.897707231040552,-0.7622057053273957,-1.6354035441336947,-0.11097813611040075,-0.27267573696144143,-0.2726757369614419,-0.1060090702947768,1.0117157974300863,-1.4075963718820734,0.0015402737874576316,-5.226555258117537E-5,-3.383962706677963E-4,-2.8995620720760408E-5,-2.7180825878889593E-6,1.8695819566020486E-6,2.515414543392674E-5,1.768143579202966E-5,-1.1269376653470527E-4,26.903557555555544,-0.8678566953404157,-5.044417041666623,0.3241392476573027,8.443177569988844E-15,7.741406966768992E-15,8.443177569988844E-15,9.144948173208696E-15,-1.9928561152263287,50.02831409760498,-1.6138165837939367,-9.380308893301054,0.6027507722602868,-2.2237355989529062E-14,-2.3640897195968766E-14,-2.3640897195968766E-14,-2.6447979608848174E-14,-3.705801044267083,0.005270222222222227,-1.7000716845906556E-4,-9.88166666666794E-4,6.349665327977506E-5,-1.7904059579217416E-17,-1.7732728865540693E-17,-1.7904059579217416E-17,-1.8075390292894138E-17,-3.903868312757438E-4,0.22364984107755603,-0.007214511002501306,-0.04193434520204143,0.0026945763985247615,8.05254354280592E-18,1.3535126380461013E-17,8.05254354280592E-18,8.05254354280592E-18,-0.016566654894633694,1.2148694863219975,-0.0391893382684751,-0.22778802868538553,0.014636981762914659,-1.6488867884247695E-15,-1.6050261257235287E-15,-1.561165463022288E-15,-1.561165463022288E-15,-0.08999033232015016,0.09361440049270717,-0.012293640408506383,-0.01362836286778079,-6.68542988616872E-4,-0.0016831835614903791,-0.001683183561490382,-6.543769771282518E-4,0.006245159243395595,-0.00868886649309922,-0.03393263782502242,-0.21969877915429017,-0.018824978362204318,-0.0017646749623490075,0.0012137984635108097,0.016330957287435274,0.011479410956680987,-0.07316476294822692,-0.032258064516125846,-0.18749999999999847,0.012048192771084596,3.1383126757692837E-16,2.8774659079131354E-16,3.1383126757692837E-16,3.399159443625432E-16,-0.07407407407407378,-0.03225806451613358,-0.18750000000000241,0.012048192771084055,-4.44495410062072E-16,-4.725503471863053E-16,-4.725503471863053E-16,-5.28660221434772E-16,-0.07407407407407503,-0.032258064516182926,-0.18750000000002398,0.012048192771082286,-3.3972115072726554E-15,-3.3647023062461226E-15,-3.3972115072726554E-15,-3.429720708299188E-15,-0.0740740740740785,-0.03225806451612679,-0.18749999999999853,0.012048192771084293,3.600513867574582E-17,6.051927564646639E-17,3.600513867574582E-17,3.600513867574582E-17,-0.07407407407407368,-0.03225806451614843,-0.18750000000000905,0.012048192771083535,-1.3572542622802669E-15,-1.3211510732586803E-15,-1.2850478842370938E-15,-1.2850478842370938E-15,-0.07407407407407589,-0.13132210796419183,-0.1455797697368417,-0.007141454574277313,-0.017979964114831926,-0.017979964114831958,-0.006990131578946871,0.06671152312599717,-0.09281549043062137,1.4729560353966287,1.400402599188606,1.0302755708012912,1.0292789632321184,1.0281873359368678,1.0170114089798037,1.0424558513421585,1.1244057196990742,1.500000000000002,1.3839285714285732,0.9870912220309823,1.0114638447971793,1.0114638447971793,1.0114638447971793,1.0114638447971793,1.0934744268077614,1.5000000000000009,1.383928571428572,0.9870912220309814,1.0114638447971787,1.0114638447971787,1.0114638447971787,1.0114638447971787,1.0934744268077607,1.4999999999999962,1.3839285714285705,0.9870912220309804,1.0114638447971775,1.0114638447971775,1.0114638447971775,1.0114638447971775,1.0934744268077596,1.4999999999999958,1.3839285714285676,0.9870912220309782,1.0114638447971753,1.0114638447971753,1.0114638447971753,1.0114638447971753,1.0934744268077574,1.5000000000000009,1.3839285714285716,0.9870912220309812,1.0114638447971782,1.0114638447971782,1.0114638447971782,1.0114638447971782,1.0934744268077603,1.624925239234453,1.1960470245215338,0.9578461873811055,0.981496710526318,0.981496710526318,0.9706813197767167,0.8625274122807036,1.0869467703349307,240.90511140456601,120.45255570228302,166.2234344846521,240.90511140456604,11.471671971646003,120.45255570228302,2.8421709430404007E-14,0.12208613074959718,0.005813625273790342,-4.416359836542395,184.7459744191434,8.797427353292543,10.95986171752362,240.90511140456601,120.45255570228302,166.2234344846521,240.90511140456604,11.471671971646003,120.45255570228302,2.8421709430404007E-14,0.12208613074959718,0.005813625273790342,-4.416359836542395,184.7459744191434,8.797427353292543,10.95986171752362,240.90511140456601,120.45255570228302,166.2234344846521,240.90511140456604,11.471671971646003,120.45255570228302,2.8421709430404007E-14,0.12208613074959718,0.005813625273790342,-4.416359836542395,184.7459744191434,8.797427353292543,10.95986171752362,240.90511140456601,120.45255570228302,166.2234344846521,240.90511140456604,11.471671971646003,120.45255570228302,2.8421709430404007E-14,0.12208613074959718,0.005813625273790342,-4.416359836542395,184.7459744191434,8.797427353292543,10.95986171752362,240.90511140456601,120.45255570228302,166.2234344846521,240.90511140456604,11.471671971646003,120.45255570228302,2.8421709430404007E-14,0.12208613074959718,0.005813625273790342,-4.416359836542395,184.7459744191434,8.797427353292543,10.95986171752362,240.90511140456601,120.45255570228302,166.2234344846521,240.90511140456604,11.471671971646003,120.45255570228302,2.8421709430404007E-14,0.12208613074959718,0.005813625273790342,-4.416359836542395,184.7459744191434,8.797427353292543,10.95986171752362,258.8290665375541,129.2801417343855,177.2630464026215,258.5858818562741,12.31361342172734,129.2801417343855,-0.26878306878316494,0.11286363225089138,0.0053744586786138755,-4.581307464871693,189.7057335130524,9.0336063577644,11.015495611241079,0,11.890000000000008,12.110411205543496,-0.17069331584211286,0.04995804371258778,5.1391752056581845,10.112090820712512,20.0,62.0,61.0,61.0,19.0,1.0,1.0,0.0,0.0,1.0,45.91469399999999,3.658975424087311,3.4620884128679394,3.421506727835285,3.3346425833554476,3.1395559360727114,3.002657470892643,2.8720050271842177,2.6426709156734587,1.9750205285243183,1.893523081821112,1.868474711314613,1.7805449932259843,1.6657525788027858,1.583444796186388,1.4638195570959338,1.3267883165516612,3.6784453450775465,3.491662726415662,3.4522132543406836,3.364985315132682,3.175743584865247,3.0431848989034473,2.9129286958913085,2.690963965116336,1.9251763127433108,1.831329498152074,1.8042453711118942,1.7159237267695993,1.5908732373152987,1.5021274139861416,1.380543026299377,1.2328748359601116,3.7671937007211547,3.6208856414484174,3.5863289502299938,3.49802482651392,3.334286658364582,3.2199469884696894,3.0923120904278747,2.9014637751338936,1.7855340143603593,1.6465151856080862,1.6129087563996767,1.5244889068262282,1.3657175533233517,1.2547948059219811,1.1278118876471275,0.9427897210878808,3.6929551658402064,3.5134075519363788,3.474789313473894,3.3873220841014557,3.2023907931427877,3.0729926577731956,2.943082961962749,2.7265041627130215,1.8940421557956322,1.791562408694429,1.7631312886426465,1.6746521495663707,1.5427250034062083,1.4495904567601625,1.326775729077288,1.1717965639561445,3.8123011894539807,3.683309999179605,3.651051185158208,3.5625209072696578,3.410782659239013,3.304628607290369,3.178636139767219,3.0017217601477313,1.7442160970576137,1.588274581818467,1.5524969158163628,1.464386437555727,1.2942649671499216,1.175472410079951,1.04706149941613,0.848606761487992,3.733973124680931,3.524518799483221,3.4967674753354276,3.4429726853573626,3.2574009932408066,3.1439114242075696,3.039646775183891,2.8083659038526916,1.8561436940076048,1.7615319334497506,1.7246100778005364,1.6005326801787145,1.4682978279078713,1.3576781549194161,1.2090699096784838,1.0576933044094243,0,0,0,1,1,3,16,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.14433756729740646,0.0,0.0,0.0,0.4330127018922194,0.6123724356957946,0.6495190528383291,0.3061862178478973,0.43301270189221935,0.45927932677184596,15.598165549360939,10.346065214951231,7.121138104094891,4.897777478867205,3.365934284052063,2.311261175129397,1.572213031259502,1.1425290268628747,0.7427697880648066,0.5173032607475616,0.35605690520474453,0.24488887394336026,0.16829671420260314,0.11556305875646986,0.0786106515629751,0.05712645134314374,15.391058768174391,10.025350549804866,6.686581476223346,4.443578934685333,2.9408788567957145,1.9372412972341162,1.2477868783331518,0.8729358616291739,0.7329075603892568,0.5012675274902433,0.33432907381116733,0.22217894673426666,0.14704394283978572,0.09686206486170582,0.06238934391665759,0.0436467930814587,32.3783838795033,60.64457392571022,57.23529411764697,57.960000000000065,37.769644311377306,483.59335688622764,0.5139426012619572,0.9626122845350829,0.9084967320261425,0.920000000000001,0.5995181636726556,7.676085029940121,8.140290000000007,98.7070000000001,125.19662328783517,175.0563660087037,250.39324657567033,11.923487932174778,125.19662328783517,0.13659214056324154,0.0065043876458686445,-4.18058732624603,169.10339809934376,8.052542766635417,10.774071736908233,426,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,19.0,3.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,16.0,0.0,1.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.376674881372303,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.17943346088435375,0.0,0.0,4.39890699798438,0.8708333333333333,0.0,0.17943346088435375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.902989564427363,0.0,22.387002220867004,0.0,2.601028911564626,0.0,0.0,0.0,0.0,1.7756459698076763,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7756459698076763,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.17943346088435375,0.0,0.0,0.20699266975308644,0.2902777777777778,0.0,0.17943346088435375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.296241860248548,0.0,1.3339317208364827,0.0,2.601028911564626,0.0,0.0,0.0,0.0,1.7756459698076763,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.601028911564626,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.17943346088435375,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.17943346088435375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3033738520894076,0.0,1.437175925925926,0.0,2.601028911564626,0.0,0.0,0.0,0.0,1.7756459698076763,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,33.666666666666664,1.603174603174603,0.2902777777777778,2.601028911564626,-0.0783404588687327,1.3339317208364827,14.25054857578573,0.16606827916351727,0.6010289115646258,3.2259955582659954,0.16606827916351727,0.6010289115646258,3.2259955582659954,10.5,0.5,0.0,0.0,0.43333,0.7,0.42923,0.42923,0.7,0.0041,0.0041,-0.0,0.0,0.71429,0.0,0.0,0.14286,0.04762,0.0,11.0,0.52381,10.0,0.47619,1.0,0.04762,-9.0,-0.42857,0.0,0.0,29.58501,1.40881,31.26833,1.68332,0.08016,9.83094,0.46814,10.34606,0.51512,0.02453,0.06794,0.00324,0.06794,0.00324,0.0,20.0,0,0,0,0,0,0,0.9047619047619048,0.9182958340544896,1.5760874865236854,2.7682850084226183,3.5666228768476143,3.722846893351529,3.7907476884563263,57.85263754543284,99.29351165099217,174.40195553062495,224.6972412413997,234.53935428114633,238.81710437274856,0.1536310572379541,0.2636797183158905,0.4631345769066284,0.5966966450450635,0.622832950940612,0.6341927661029976,5.058984089445428,4.401192436976231,3.2089949150772985,2.4106570466523025,2.254433030148388,2.1865322350435905,0.1536310572379541,0.2636797183158905,0.4631345769066284,0.5966966450450635,0.622832950940612,0.6341927661029976,6.732876570223358,13.436831216937033,18.424436930655396,20.43233293563485,20.34780814814771,21.751263378476107,82.94737505048094,61.94529397682244,49.03491371990416,41.45729302882921,41.42678878133677,36.2639200284713,21.0,18.05,16.2,21,2,15,3.77,3.0244999999999975,0.22558427134487072,7.796267836591871,0.454280148208035,0.0,30.65513171864432,5.862047476674482,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.103,0.076,0.20300000000000004,0.184,10.17,20.0,20.0,20.0,20.0,20.0,20.0,18.0,16.0,13.0,208.0,3.091042453358316,3.1780538303479458,3.258096538021482,3.332204510175204,3.4011973816621555,3.4657359027997265,3.5263605246161616,3.4657359027997265,3.367295829986474,3.1780538303479458,5.680172609017068,1.4038461538461537,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.0,0.8,19.0,0.95,2,7.0,14.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407406,0.060000000000000026,0.049586776859504134,0.075,0.03333333333333335,0.01875,0.012000000000000005,0.008333333333333335,0.0061224489795918356,0.0046875,0.004115226337448558,0.0037500000000000016,0.0038143674507310874,0.1825561510678963,125.19662328783517,175.0563660087037,250.39324657567033,11.923487932174778,125.19662328783517,0.13659214056324154,0.0065043876458686445,-4.18058732624603,169.10339809934376,8.052542766635417,10.774071736908233,0.0,369.13567714320214,5.392317422778761,4.394449154672439,5.081404364984463,5.7899601708972535,6.499787040655854,7.223295679562314,7.946263643580541,8.679141958402255,9.41058370340406,10.14968334738049,106.17456906353966,3.713572066704308,0.0,4.795790545596741,0.0,6.023447592961033,0.0,7.327123292259293,0.0,8.679482094459956,8.986446539271268,294.32865134400106,4.671883354666684,40.68912860030825,1.9375775523956311,0.0,0.0,0.0,1252.0,20.0,11.161000000000003,80.0,1.2282265313166447,2.1289131198991744,2.8872882137163285,3.654790319120975,4.8156824187172065,5.736789794814753,6.74167660606001,7.625760274241859,8.51046927209301,9.34521920958812,79.13806582684919,76.95488917045246,80.9198163165301,108.59112744005274,133.463362683016,157.17992182242074,179.6047104802979,188.66562530737158,182.30562924622558,177.58858782103627,291.08206794971346,342.4878322500415,369.9076290225534,498.59719765264316,622.7063025877292,739.4417730066472,851.9389290496586,941.3195666376457,948.6238110131168,979.7859675654212,8.947712484505963,15.182070943736875,20.264626824730726,25.77166524279985,33.85264882962882,40.33365354261082,47.35028622270363,53.58585032404088,59.48612833124874,65.1913060485884,2.1824082862936716,2.824028042643657,3.1686109343138105,4.235084523368,5.350498449248853,6.367967839427992,7.37205798066995,8.26050293765074,8.53222772494865,8.999517630115625,175.26580514745186,326.73173527870415,468.18558735663197,583.2312553081931,776.4420186699052,924.3612740383966,1089.9048004835286,1229.8160587755704,1396.5184174849655,1542.652240177309,2.404279396101013,3.5187256481034894,4.308897067381489,5.6397898072584995,7.269604257319283,8.683697531184196,10.135609719285135,11.454100835725054,12.10516632430163,13.225335590229045,0.4516057611873785,0.5949477099615442,0.673476384764076,0.8980987669138661,1.1373282507483007,1.3540103183532624,1.5689709344917977,1.7614100480250574,1.828096250635888,1.9348700698012713,740.6904201435995,843.9339792504737,19.457938528833587,105.19573913160208,-119.85879162351812,-6.733892802300346,635.4946810119974,963.7927708739918,26.191831331133933,0.8756384201607706,0.9976921480469659,0.023003022706396026,0.1243615798392294,-0.14169612578389892,-0.007960755390619335,626.5397747072046,713.8720723900208,16.45920088956801,88.98361974614691,-101.38689290178444,-5.696106719508763,0.050169378629563,0.07439239099933465,0.7447089579147985,0.6597503859664233,845.8861592752015,0.0,1.0,0.0,1269.5852684990919,35.631240064009724,10.828142391399762,1689.761898434444,41.10671354455916,11.910824833336918,2404.10505418339,49.03167398920202,13.396288149486884,1.9987598598391025,1.9987598598391025,7994.668715785511,6532.166153092083,1522.86862825573,1.2238924314564679,5.249742865175757,4.2893825717415455,9.582018038049013,9.634589059217834,19.2497522755489,0.9979837393408925,16.971464573705248,18.466810727175,11.748959056606816,75.72701333289237,43.65957136529502,6.336032860459766,30.72953538969711,23.234559262220202,53.405954866343066,13.644502819178424,28.590221729959065,53.40213074987441,28.442735208899187,50.859401377514665,23.71072455221261,25.019169104563208,49.965216026148816,15.253371160610419,39.674378748249794,9.233567937582823,13.375006183471543,25.47496103605716,1.16438430093731,34.54664091248854,4.859010792042441,6.897550984683202,12.810052158776827,2.037683631674639,22.806618173825207,4.698103377045677E-6,1.4242991579771809,18.45140390763177,0.9491966977576093,16.522002439435134,1.8015177330180032,0.27638915500426203,4.80729950513039,2.981008864870329,14.949160877648266,2.3159372033118664,2.270773186918886,8.092082604775191,2.4557880019077323,14.870698553833806,2.6348790888242295,2.389795556171228,5.59504603529513,2.1993782018874466,7.577358197402692,1.4354912847242443,1.6360053343262844,1.8983219541015466,0.06857440032492752,6.812472763061735,1.0667321300160293,0.1898100434199858,0.30078429446923366,0.041855989809378304,3.6624497480813445,3.533336380571822E-7,4.597807073132283,18.452433835770144,3.088379059934005,21.542389885938977,5.063027853030979,1.0550185845956968,8.986448308800707,4.9386378303398795,20.923541808160188,3.4505442466533514,5.279382044758034,15.237269169950029,6.049937279768912,20.70147258982965,4.709246834932815,5.87910727627292,11.978895439814314,3.993918837559616,11.872174550843818,2.7868762552303137,2.8161979307521503,4.599502960349799,0.2405705103708254,10.841700502875335,1.4481417952891051,0.8548577926715623,1.4604116313968274,0.2202186149787403,6.368869072074416,1.167581226368009E-6,16.0196782474547,18.465119339771835,11.064711662180338,69.60329734600455,39.22823853198984,5.802943994858569,28.74915915775436,21.224659259246565,50.388178125993846,12.534311394959502,26.14274689928441,49.884112140161484,26.246771049871647,48.12014026980712,21.63240350213125,23.234120107641438,46.303270096801185,14.146417498112372,36.91101636618727,8.671140780761434,12.226176780173823,23.284703249418225,1.0790162058716515,32.271460284532594,4.4879347111174015,6.237804651197292,11.551170223643407,1.8344778514906193,21.209640946846882,4.40643177469222E-6,6.77632076809518,18.45376881629673,4.576243487301498,27.08635965042663,8.870468862914853,1.7255940294411218,12.185518013679959,6.928752224896374,25.58163306310862,4.579128043924795,8.046544516732174,20.766806325675653,9.025043632484241,25.1540363865046,6.794674114116679,8.609879069211706,17.154891275881262,5.484152845847716,15.490542704941216,3.785930121552919,3.987415081798263,7.080671772148962,0.3739859191007758,14.092186074652222,1.8265609860397667,1.5204675036472084,2.6703018516765464,0.4106622224365465,8.58343596504509,1.748096836263616E-6,20.49550093617433,18.473922690332614,14.308640316096083,101.23806261310713,62.18869884873521,8.493898135049172,38.50869369193209,31.550582578551015,65.33275481540582,18.228133497643558,38.601581067534255,67.2727192516108,37.26040439080285,61.610306482992854,32.30060952308428,32.08222569462387,64.59745210775101,19.701403349650988,50.812395652150194,11.412532827511212,18.11703711932119,34.43256320580527,1.5012233578854342,43.6261082236115,6.390666612559118,9.623132723161898,18.03097328746586,2.8820582969835593,29.202044536480734,5.807198732902501E-6,10.723218475542533,17.549923157617375,7.06534989711893,40.23882301883685,19.002860876950106,3.0479749806725955,18.06845654603594,11.46077218154888,35.25898464620837,6.867088424119914,14.05488431407116,31.832655499039472,15.204519334513627,34.7913828967859,12.032615619940783,14.045378402915837,27.69688606806223,8.938607067841309,22.414817206959093,5.869382840662624,6.994446630560111,12.80474281810599,0.6058093207491166,20.77543209290554,3.2593834883955797,3.252721549785671,5.703393956342889,0.8624190496467188,13.6165635212004,2.6382942874728828E-6,24.613677554301663,5.9078791650178655,0.4753759240767801,0.7940681691788444,0.19059560611964296,0.4439922575426351,0.34149830218858296,0.6029520013824332,30.996932643396306,159.92384602723507,260.0473941110413,0.6911022537682665,1.3884425611136513,22.095360949062517,5.078957224193503,0.10248355331702008,0.8100422172126299,0.18620061380750466,0.3577405003072975,0.2521721484785746,0.02802313541472729,27.27680172657304,115.00631379876663,153.7839626497875,0.7150633258189448,0.6379357842005995,23.09555140962898,5.408181266659456,0.25058429933359516,0.8032029218155115,0.18808241111220006,0.3908824492755562,0.28602838022299326,0.16753906531560253,28.754316975622032,132.04751635780568,192.10104731908086,0.7048043827232673,0.8444498948141521,24.55133082923643,5.887357694636083,0.466144159613428,0.7944172059004702,0.19049958156809577,0.4417445228097955,0.3391233413106579,0.5797608302979682,30.904832683485942,158.7312833527566,257.01374259784745,0.6916258088507052,1.3606286944184216,23.541378857550384,5.554928580663278,0.3165988975720859,0.8003758142359545,0.18886024105359397,0.4061283417801023,0.3018077878001058,0.2674404979981191,29.41290633578575,139.98253710238578,210.79729600498501,0.7005637213539317,0.9753766275783272,24.808868594017454,5.972126320420815,0.5042781138398,0.7929887193758312,0.19089257475946403,0.4510662100505902,0.3489873509276732,0.6784980679285199,31.285273028278066,163.68387916775836,269.6838533580683,0.6894830790637466,1.4785516289067833,24.604844385288565,5.898099797630663,0.4676824466125093,0.7944574283113425,0.19044173268378714,0.4436842982570879,0.3404225882172775,0.5835935935059658,30.97062662953174,159.38751925395692,258.22907731424186,0.6916861424670137,1.3677004799803312 +UMLCN0254,L,3-octene,CCCCC=CCC,Olefins,,C8H16,Marquardt (2015),IQT,PubChem,,36,0,-0.03799999999999937,0.0014439999999999518,35.3026,24.74868799999998,0,0,24,8,16,0,8,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1170.3699919999983,1203.5622549999996,1190.5296539999983,1013.0781410000001,826.396372,643.7788590000001,461.1613460000001,278.5438330000004,84.835296,3885.4751248895254,4800.404174173605,5835.09088043876,5418.883679671308,4464.6544622248475,3634.760222502106,2804.865982779359,1974.971743056609,1061.4246313942745,167.81955200000002,166.66572400000007,297.4861680000001,362.25208399999997,293.04788800000017,250.71754800000022,208.38720800000013,166.05686800000004,123.32735999999997,29.425006477583977,37.33900896000001,50.13168110849005,49.55779744122508,40.76058708213107,33.741828342433,26.723069602734984,19.70431086303699,12.016620718188005,3973.0372811079847,3337.5212560364007,6591.128897317892,8625.609130740027,6929.941219365833,5973.943916088634,5017.946612811435,4061.9493095342377,3137.747110568388,41.0,48.5,72.25,79.25,64.75,54.25,43.5,34.0,24.0,48.76541633333326,52.32879369565216,28.345944142857103,19.482271942307694,19.676104095238095,17.882746083333338,15.37204486666667,11.605993041666684,4.713072,161.8947968703969,208.71322496406975,138.9307352485419,104.20930153214053,106.30129671963923,100.9655617361696,93.49553275931197,82.29048929402538,58.96803507745969,6.992481333333334,7.24633582608696,7.083004000000002,6.96638623076923,6.977330666666671,6.964376333333339,6.946240266666671,6.919036166666668,6.851519999999998,1.2260419365659991,1.6234351721739133,1.1936114549640489,0.9530345661774053,0.9704901686221683,0.9372730095120279,0.8907689867578328,0.8210129526265413,0.6675900398993336,165.54322004616603,145.1096198276696,156.93164041233075,165.87709866807745,164.99860046109126,165.94288655801762,167.26488709371452,169.24788789725991,174.319283920466,1.7083333333333333,2.108695652173913,1.7202380952380953,1.5240384615384615,1.5416666666666667,1.5069444444444444,1.45,1.4166666666666667,1.3333333333333333,0.048042928994116205,-0.004267343744189197,-0.021216894417990857,-0.0018135249717288258,-2.643842655635502E-4,6.857680028664716E-5,-0.001591006987216972,0.0012001545039380143,-9.491781403998529E-4,645.6853813333338,-53.807115111110534,-242.13201799999973,13.451778777777534,-40.35533633333347,-40.35533633333347,-40.355336333333526,-40.355336333333554,-2.7355895326763857E-13,1200.6795383425201,-100.05662819521007,-450.25482687844533,25.01415704880266,-75.04247114640741,-75.04247114640741,-75.04247114640741,-75.04247114640741,8.526512829121202E-14,0.12648533333333326,-0.01054044444444175,-0.0474319999999981,0.0026351111111106093,-0.007905333333333518,-0.007905333333333698,-0.007905333333333871,-0.007905333333334052,-1.0850695342234928E-15,5.367596185861331,-0.4472996821551001,-2.0128485696979936,0.11182492053877591,-0.33547476161633405,-0.3354747616163345,-0.33547476161633494,-0.33547476161633605,-4.468647674116255E-15,29.156867671727976,-2.4297389726441017,-10.93382537689806,0.6074347431610171,-1.8223042294829916,-1.8223042294829845,-1.8223042294829774,-1.8223042294829703,4.1522341120980855E-14,3.5,-0.5625,-0.875,-0.125,-0.25,-0.125,-0.25,0.25,-0.375,0.0020017887080881753,-1.8553668452996508E-4,-5.051641528093061E-4,-3.4875480225554344E-5,-6.294863465798814E-6,1.9049111190735322E-6,-5.303356624056573E-5,5.000643766408393E-5,-5.273211891110294E-5,26.903557555555576,-2.3394397874395882,-5.765048047619041,0.25868805341879875,-0.9608413412698444,-1.1209815648148185,-1.345177877777784,-1.6814723472222315,-1.519771962597992E-14,50.028314097605005,-4.350288182400438,-10.720353020915365,0.4810414817077434,-1.7867255034858907,-2.0845130874002056,-2.501415704880247,-3.126769631100309,4.736951571734001E-15,0.005270222222222219,-4.582801932365978E-4,-0.0011293333333332882,5.067521367520403E-5,-1.882222222222266E-4,-2.195925925926027E-4,-2.6351111111112905E-4,-3.293888888889188E-4,-6.028164079019405E-17,0.22364984107755545,-0.019447812267613048,-0.04792496594519032,0.002150479241130306,-0.00798749432419843,-0.009318743378231513,-0.011182492053877831,-0.013978115067347335,-2.4825820411756973E-16,1.214869486321999,-0.10564082489756964,-0.26032917564043,0.011681437368481097,-0.04338819594007123,-0.05061956193008291,-0.06074347431609925,-0.07592934289512376,2.306796728943381E-15,0.14583333333333334,-0.024456521739130436,-0.020833333333333332,-0.002403846153846154,-0.005952380952380952,-0.003472222222222222,-0.008333333333333333,0.010416666666666666,-0.020833333333333332,-0.09268544865914616,-0.2523563804552416,-0.017422158534834805,-0.0031446193298846088,9.516044882143596E-4,-0.026493088919067723,0.024980877083597395,-0.026342499934203935,-0.08695652173912943,-0.21428571428571389,0.009615384615384434,-0.0357142857142858,-0.04166666666666677,-0.0500000000000002,-0.06250000000000029,-5.648962816384704E-16,-0.08695652173913049,-0.2142857142857144,0.009615384615384675,-0.035714285714285664,-0.04166666666666661,-0.04999999999999993,-0.06249999999999992,9.468541279428746E-17,-0.08695652173910827,-0.21428571428570586,0.009615384615382791,-0.03571428571428657,-0.041666666666668614,-0.05000000000000344,-0.06250000000000572,-1.1438159198679093E-14,-0.08695652173912834,-0.2142857142857137,0.00961538461538446,-0.03571428571428581,-0.041666666666666824,-0.050000000000000266,-0.06250000000000054,-1.1100307647054432E-15,-0.08695652173913414,-0.21428571428571563,0.009615384615384893,-0.035714285714285574,-0.041666666666666345,-0.04999999999999942,-0.06249999999999903,1.898802097604062E-15,-0.16770186335403725,-0.14285714285714285,-0.016483516483516484,-0.04081632653061224,-0.023809523809523808,-0.05714285714285714,0.07142857142857142,-0.14285714285714285,1.4201797231895597,1.3285155014340806,1.037280547497944,1.0525058264486415,0.9812263524904358,0.9036928394741314,0.6697060744866996,0.6047954842411797,1.4999999999999998,1.3348214285714284,0.9122596153846152,0.9754464285714283,0.958333333333333,0.9343749999999997,0.8984374999999994,0.7187499999999994,1.5000000000000007,1.3348214285714288,0.9122596153846155,0.9754464285714289,0.9583333333333337,0.9343750000000006,0.8984375000000007,0.7187500000000004,1.499999999999999,1.3348214285714275,0.9122596153846146,0.9754464285714278,0.9583333333333327,0.9343749999999993,0.8984374999999994,0.7187499999999997,1.5000000000000009,1.3348214285714297,0.9122596153846161,0.9754464285714294,0.958333333333334,0.9343750000000007,0.8984375000000006,0.7187500000000004,1.5,1.3348214285714286,0.9122596153846155,0.9754464285714286,0.9583333333333333,0.9343749999999998,0.8984374999999996,0.7187499999999998,1.5714285714285714,1.173469387755102,0.963598901098901,0.9974489795918366,0.9355158730158729,0.9035714285714286,0.7529761904761905,1.0952380952380951,39.97261828651773,19.98630914325887,31.80200733361367,39.97261828651774,4.996577285814718,19.98630915029853,1.7763568394002505E-14,0.0633833768659458,0.007922922108243226,-2.206842917169118,35.039047474247646,4.379880934280956,2.8451704653956646,39.97261828651773,19.98630914325887,31.80200733361367,39.97261828651774,4.996577285814718,19.98630915029853,1.7763568394002505E-14,0.0633833768659458,0.007922922108243226,-2.206842917169118,35.039047474247646,4.379880934280956,2.8451704653956646,39.97261828651773,19.98630914325887,31.80200733361367,39.97261828651774,4.996577285814718,19.98630915029853,1.7763568394002505E-14,0.0633833768659458,0.007922922108243226,-2.206842917169118,35.039047474247646,4.379880934280956,2.8451704653956646,39.97261828651773,19.98630914325887,31.80200733361367,39.97261828651774,4.996577285814718,19.98630915029853,1.7763568394002505E-14,0.0633833768659458,0.007922922108243226,-2.206842917169118,35.039047474247646,4.379880934280956,2.8451704653956646,39.97261828651773,19.98630914325887,31.80200733361367,39.97261828651774,4.996577285814718,19.98630915029853,1.7763568394002505E-14,0.0633833768659458,0.007922922108243226,-2.206842917169118,35.039047474247646,4.379880934280956,2.8451704653956646,39.97261828651773,19.98630914325887,31.80200733361367,39.97261828651774,4.996577285814718,19.98630915029853,1.7763568394002505E-14,0.0633833768659458,0.007922922108243226,-2.206842917169118,35.039047474247646,4.379880934280956,2.8451704653956646,44.76705890478503,22.300196119059187,35.826754394080695,44.64205890478504,5.58025736309813,22.300196119728003,-0.16666666666665364,0.15808553080526155,0.019760691350657694,-1.475695246570529,39.186556188813945,4.898319523601743,2.934666986885702,0,11.89,12.110114161591724,-0.160379095603277,0.06105222238396377,5.128426353287048,7.339204102908888,7.0,23.0,22.0,22.0,6.0,1.0,1.0,0.0,0.0,1.0,17.491311999999997,3.5274907047665636,3.2341105715589973,2.8312102225332905,2.3927545569851536,1.842618742970596,1.5055978680024569,1.2138497995326925,0.7502446650849325,1.8975712469138277,1.7345354239833148,1.4709699485023637,1.1600388985971315,0.8755615049517383,0.6761422876790965,0.5512227410483063,0.2604505156093792,3.5511736066925934,3.2683883790412382,2.8767161509384906,2.4488284348326546,1.9234042011188284,1.601924298232286,1.3303220318262758,0.8866875428843732,1.8410491303707381,1.6628075655986503,1.3832179649996297,1.0580300546292318,0.7469135970621174,0.5362492987806294,0.3985194350239836,0.09334638395827081,3.6575619120030853,3.418589157241957,3.0739506847869995,2.6899267098257473,2.26147548823933,1.9951168045377425,1.7919844558639118,1.4175652450746092,1.6792354153641522,1.4484038859981587,1.1125410465498333,0.7365840284866341,0.32501869742804507,0.06736313894468622,0.12533186499040702,0.48899130462869095,3.5687421557539496,3.293624830331607,2.910129035938974,2.4899248563008762,1.9821381516885406,1.6713678706568817,1.4134210591628653,0.9834296721842385,1.805433811173435,1.616809906279067,1.3262020378513621,0.9911831402387897,0.6613286539613735,0.4424729114783614,0.29532097680301217,0.02019176983931726,3.710682980284502,3.491190721436836,3.1675376547983016,2.802732235943866,2.414061303415517,2.1678151268611483,1.9886728926223431,1.6391066126478224,1.6302599595378156,1.3806510635030271,1.0245483399717554,0.6299227672055465,0.1788470980310551,0.09957147710089118,0.3173203090366174,0.7066964977980574,3.606424235275211,3.3087596183820507,2.985936889378935,2.580127997015959,2.0507353574145926,1.7508208896869109,1.4953115310768827,1.1420589765120346,1.7892064894785413,1.5652242209698963,1.2412357997842527,0.8680804867655294,0.5622762359090542,0.32878716919394035,0.18082873345757267,0.1868922122447824,0,0,0,2,0,2,4,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.242640687119286,3.914213562373095,2.414213562373095,1.4571067811865475,0.8535533905932737,0.47855339059327373,0.25,0.125,0.7803300858899107,0.5591733660532993,0.40236892706218247,0.29142135623730947,0.21338834764831843,0.15951779686442458,0.125,0.125,5.983127663125442,3.5640434766341547,2.0218813364429815,1.1267131295540544,0.6064930722941141,0.3190355937288492,0.16666666666666666,0.08333333333333333,0.7478909578906803,0.5091490680905936,0.33698022274049694,0.2253426259108109,0.15162326807352852,0.1063451979096164,0.08333333333333333,0.08333333333333333,12.334622430286998,23.102694828841948,21.80392156862746,22.080000000000002,14.388435928143707,184.2260407185629,0.5139426012619582,0.9626122845350812,0.9084967320261441,0.92,0.5995181636726544,7.676085029940121,3.068990000000002,38.686,21.836353346989743,34.97342453153384,43.67270669397949,5.4590883367474365,21.83635334804216,2.7755575615628914E-16,3.469446951953614E-17,-28.656407870242358,32.7162929366335,4.089536617079188,2.7902985670066807,74,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,6.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,4.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.4991666666666665,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5900694444444445,0.0,0.0,1.5099305555555558,0.5805555555555556,0.0,0.5900694444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.391102607709751,0.0,5.109730725623582,0.0,4.4991666666666665,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2318055555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2906944444444445,0.0,0.0,0.21694444444444444,0.2902777777777778,0.0,0.2906944444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.169092970521542,0.0,1.1842403628117915,0.0,2.2318055555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.267361111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.299375,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.299375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2220096371882088,0.0,1.34375,0.0,2.267361111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,1.75,0.299375,2.267361111111111,0.21694444444444444,1.1842403628117915,5.619613202947845,0.3157596371882086,0.2673611111111111,1.7805385487528347,0.3157596371882086,0.2673611111111111,1.7805385487528347,4.0,0.5,0.0,0.0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,-0.0,0.0,0.71429,0.0,0.0,0.25,0.0,0.0,4.5,0.5625,3.5,0.4375,1.0,0.125,-2.5,-0.3125,0.0,0.0,6.79509,0.84939,7.95768,1.16259,0.14532,3.37132,0.42142,3.91421,0.54289,0.06786,-2.1E-4,-3.0E-5,-2.1E-4,-3.0E-5,0.0,7.0,0,0,0,0,0,0,0.75,0.9182958340544896,1.9473387961875537,3.105388542207534,3.7720552088742005,3.772055208874201,3.340199876515856,22.03910001730775,46.73613110850129,74.52932501298082,90.52932501298082,90.52932501298082,80.16479703638055,0.20028426271971758,0.4247229493984437,0.6772985693381561,0.8227014306618438,0.8227014306618439,0.7285119291576506,3.6666666666666674,2.6376237045336035,1.479573958513623,0.8129072918469564,0.812907291846956,1.244762624205301,0.20028426271971758,0.4247229493984437,0.6772985693381561,0.8227014306618438,0.8227014306618439,0.7285119291576506,6.732876570223358,15.098088471797823,19.013243736138,20.601141671471336,19.68512709080467,17.988133916612192,31.599000019230836,21.28780564542383,17.506516669551292,14.407393752043275,15.48446146067709,18.474558236415415,8.0,7.0,7.2,8,2,8,2.34,1.192800000000001,0.14285714285714285,4.008290259196815,0.0,0.0,7.473424936522629,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.10699999999999998,0.088,0.22700000000000004,0.17600000000000002,3.7059999999999995,6.0,5.0,4.0,3.0,2.0,1.0,0.0,0.0,0.0,36.0,2.1972245773362196,2.1972245773362196,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.6094379124341003,1.0986122886681098,0.0,0.0,0.0,3.9512437185814275,1.4166666666666667,0.42857142857142855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.5714285714285714,6.0,0.8571428571428571,0,4.0,7.0,0.75,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.0,0.0,0.0,0.0,0.07142857142857142,0.037037037037037056,0.025,0.020000000000000004,0.018518518518518517,0.020408163265306124,0.0,0.0,0.0,0.0,0.1923922902494331,21.836353346989743,34.97342453153384,43.67270669397949,5.4590883367474365,21.83635334804216,2.7755575615628914E-16,3.469446951953614E-17,-28.656407870242358,32.7162929366335,4.089536617079188,2.7902985670066807,0.0,144.28787700693348,4.0,3.295836866004329,3.8918202981106265,4.51085950651685,5.1298987149230735,5.75890177387728,6.385194398997726,7.016609683894219,7.645397699428633,8.27715777243181,66.91167671418455,2.70805020110221,0.0,3.6635616461296463,0.0,4.762173934797756,0.0,5.926926025970411,0.0,7.126890808898808,7.492760300922379,112.12520051199999,4.671883354666666,14.83110795092203,1.8538884938652538,0.0,0.0,0.0,84.0,5.0,4.376,26.0,1.2149280551208725,2.112404840190143,2.884741776969467,3.6768651262179284,5.017470893870829,6.005531114518846,7.303281820300675,8.327165249525343,9.506167989223066,0.0,74.61574461278728,68.01987773282409,68.7204992664529,92.71839615091562,105.66538673916263,109.06848606136947,95.32640264697444,42.17720502207558,9.658875071801946,0.0,279.36618491167513,317.1779137828593,333.0069385929629,459.05961215956154,554.8428599054419,620.4868525113085,639.6437432299217,513.1408826856148,295.48729629449997,0.0,8.839103226231181,15.017683235410711,20.156058967767958,25.849678739442478,35.06390472976904,41.894541776716956,50.65346436995128,57.15921480759276,63.86684741354756,0.0,2.1123114161348187,2.6673998598853847,2.9366907618411884,4.015165060576892,5.005543387186185,5.743602190525765,6.257840107056932,5.735890018306665,4.226564963671045,0.0,174.09836547179998,327.4846627163218,474.40990858889086,592.060788122613,823.7968549179745,991.0020970771014,1226.8024406034106,1443.183992427568,1757.8582643152056,0.0,2.6512464205249424,3.7606399915119946,4.552127242457062,6.0973787731487485,7.842763434886837,9.08151705016368,10.63998287424952,11.367125508378075,9.506167989223066,0.0,0.43777130160270944,0.5639140241883446,0.6275162874745684,0.855664218271307,1.0729862866057704,1.236159171379348,1.3591107831106122,1.2710002531695315,0.973431602096442,0.0,381.9814074613086,183.76922162142125,10.737899971640559,100.4469927612368,-48.32451347992577,-6.600407719040602,281.5344147000718,232.09373510134702,17.338307690681162,0.7917888069713551,0.3809253798836223,0.022258017908330315,0.20821119302864502,-0.1001692965373381,-0.013681631753014165,184.27867931631536,88.65549159696464,5.18026790506827,48.45848202496906,-23.31311772965342,-3.184224136713297,0.1182626348008832,0.18331231152955707,1.781640178247044,1.5565297482463523,482.42840022254535,0.0,1.0,0.0,456.99954083392043,21.377547586987625,7.702622038575365,617.1787368862151,24.843082274271346,8.514065463682549,686.2244551699758,26.195886226084735,8.820409134828651,2.7624106277958083,2.7624106277958083,999.4735989102896,974.1918263082688,44.253275599970266,1.0259515343069823,22.585302112889497,22.01400490925294,4.432633460825539,5.9238538680490755,10.531618087454557,0.7778321886463032,6.512227585925224,5.891260646171339,3.038468626943313,24.213179714631476,10.961974888616739,1.556427248567759,5.228703478178975,6.3891926468163724,14.835654624579506,0.06411911140434141,2.5341493765038563,9.059086894454177,1.8791997792400332,10.620144304571546,0.0014049962520983575,3.6408717989659527,2.8831989472761506,0.6322791726121556,5.341718329120409E-4,0.904864250999814,2.967409440599976E-10,1.8769271750038558E-41,2.289777456735777E-94,5.387844255861555E-169,2.4451904786542326E-265,0.0,0.0,0.0,0.0,0.0,0.546534237448639,5.885132577118363,0.2506648920589474,6.125995058254558,0.08380336488418574,0.12909181944477843,0.8854044621473657,0.06974443037474337,4.251177652208276,4.5402609756639025E-4,0.10930657566164259,0.6595616907798516,0.05233042166459152,2.2939865992005566,9.913408339805338E-6,0.10493232024630177,0.0832088398515139,0.0474737941444242,3.8101954411495537E-6,0.006373032906275256,2.08997073212249E-12,1.3219351561037951E-43,1.6127089852096909E-96,3.7947027632655216E-171,1.7221676472858657E-267,0.0,0.0,0.0,0.0,0.0,1.7642594339417648,5.8855422192870135,0.8120317824462355,7.430779262930001,0.8214966232132654,0.4145114989115643,1.7717221073685452,0.532504829554491,5.564969833456704,0.004712223001462828,0.41273932238599526,2.1071066017679376,0.2383654114325468,3.448302223545983,1.0316477360630485E-4,0.4642917104216731,0.37180609102995743,0.1569339561442516,3.932845905003626E-5,0.06641191651758646,2.1779106404620695E-11,1.3775583543964219E-42,1.6805671031048293E-95,3.9543728524435746E-170,1.794631468295409E-266,0.0,0.0,0.0,0.0,0.0,6.14701211391772,5.89058789179761,2.8650831879367273,22.261384438354643,9.7714648893555,1.4669489901756882,4.962724114090858,5.7096938983404,13.888137193756352,0.057130647048217756,2.317945493111822,8.450426271429732,1.701252440263095,9.917538345984537,0.0012518386931318875,3.2961985635834425,2.6116906101002204,0.5929715934138636,4.759705229008768E-4,0.8062177568788681,2.64390838769271E-10,1.6723083215903402E-41,2.0401504898459038E-94,4.8004722316898005E-169,2.1786206943903085E-265,0.0,0.0,0.0,0.0,0.0,2.600189605911101,5.886073203613684,1.1996738805571197,9.035280560147779,1.7681660538968025,0.6122038744444901,2.380223322833123,1.0957803327163473,6.718257224634788,0.010229598501650809,0.6779054235722435,3.1800718763468057,0.4215575752746393,4.402593984695093,2.240436166116264E-4,0.8185850962086647,0.6539299251728653,0.23501773161491102,8.53086017724883E-5,0.14425555707664023,4.730712937937902E-11,2.9922408242263676E-42,3.650416316458278E-95,8.589426245016332E-170,3.898179359688677E-266,0.0,0.0,0.0,0.0,0.0,7.864456093515643,5.894089453414856,3.6835230552812614,32.39867769100815,15.965491656352688,1.8901068661825846,6.213602662709365,9.237326259109775,18.6839941495892,0.09350377217740687,3.4115877372588175,11.419921500668838,2.613119015879208,13.44058384363098,0.0020489965947359592,5.062609428923473,4.0021224101546355,0.7817984873670677,7.788829200269696E-4,1.3196594695176884,4.3276877873084964E-10,2.7373218881750597E-41,3.3394252237622306E-94,7.857664489096548E-169,3.566080510270054E-265,0.0,0.0,0.0,0.0,0.0,3.740521415928855,5.333868196566043,1.7885422953122065,12.052436511766064,3.6055186827333876,0.8683991534335118,3.434053752651179,2.180139840906808,8.520020006193633,0.020945749871484856,1.1063560857402759,4.566002190496304,0.7304809203842845,5.771760214683727,4.5883747129218965E-4,1.3526253760780282,1.205800875464808,0.38917891361904305,1.746272380663607E-4,0.2954658778774903,9.689500214204002E-11,6.128741795930958E-42,7.476824348524986E-95,1.75929608354663E-169,7.984295440503616E-266,0.0,0.0,0.0,0.0,0.0,10.321558078132972,0.8099043860827632,0.39217089199953986,0.8956860878054609,0.07028203354334778,0.5849305142560878,0.6302503109348139,0.49998830208624706,11.523633356215274,12.72491072253875,27.52688690838464,0.8435291317081913,1.7151691272771485,8.610217512316671,0.3099906264507787,0.08454586080334806,0.956185756182464,0.03442521877505527,0.40744417988877757,0.09314486163285422,0.023237736958122784,9.004753999570799,3.4232533961576355,12.653667630073626,0.9342786342736962,0.5238267784797546,9.28968663150063,0.5087599505812138,0.2067245380603342,0.9284885305758389,0.05084970006729722,0.47406646648091866,0.2501681047510419,0.13892909015305963,10.005171120142176,6.7517998549469525,17.73399672711207,0.8927327958637583,0.8631636613850202,10.279169579335653,0.7975484580617589,0.3845549629721193,0.8968610711047748,0.06958637649029428,0.5801460909714304,0.6113297751794926,0.48075739446096666,11.46127300036953,12.457742742878457,27.071649570775442,0.8452916066571621,1.6722332606118897,9.592652658823592,0.5972609452309154,0.26118460330935134,0.9178607327663034,0.057148151646884776,0.5054051649458201,0.344229256712033,0.2217707551158835,10.45109820736386,8.390765336712374,20.33827287822408,0.8767910991494551,1.0714051767737365,10.454270973410763,0.8485816750605811,0.41601433242125085,0.8920888845701779,0.0724115800993542,0.6000375034683816,0.6912988253050791,0.5626336692310868,11.718866980892594,13.57345147316369,28.982907555352803,0.8381333268552668,1.8539699980045476,10.296379352957665,0.7974974935718608,0.3849084680910974,0.8969920658628472,0.06947577393542519,0.5820676082472902,0.6108807723827381,0.4816416806144789,11.478785314620623,12.48146386903777,27.120862224169926,0.8454880987942708,1.674590061244507 +UMLCN0255,L,2-methyloctadecane,CCCCCCCCCCCCCCCCC(C)C,Alkanes,,C19H40,Marquardt (2015),IQT,PubChem,,104,0,-3.1522000000000006,9.936364840000003,65.3807,60.11171999999995,0,0,59,19,40,0,19,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2781.6608589999964,3081.037698000003,3492.8500500000046,3299.489104000001,3045.330806999998,2839.429501999998,2642.672772999998,2445.9160439999987,2249.1593149999962,9290.170910474499,12212.768886308688,16630.35047650762,17672.115382313797,16443.15350559959,15156.601460766084,14149.803115810955,13143.004770855827,12136.206425900695,412.00836399999974,420.43456800000035,809.4419280000011,1131.8807680000025,1127.0670360000036,1003.7159600000032,940.8310600000032,877.9461600000026,815.0612600000021,70.77361619395995,94.74197239999992,141.0461000363761,160.37467089943047,151.3410697527692,138.31802474973188,129.2964958903356,120.27496703093959,111.25343817154364,9805.798846679962,8407.200318136003,17745.145493530745,26610.25896531771,26986.333304365453,23843.119281108648,22364.16412607007,20885.208971031494,19406.253815992914,87.52777777777777,106.16666666666667,176.91666666666674,227.66666666666669,218.41666666666669,197.16666666666666,184.91666666666666,172.66666666666666,160.41666666666666,47.146794220338926,53.1213396206897,30.63903552631583,20.36721669135803,18.798338314814803,19.718260430555542,19.575353874074057,19.412032095238086,19.223583888888857,157.46052390634745,210.56498079842567,145.88026733778617,109.08713198959134,101.50094756542956,105.25417681087558,104.81335641341448,104.30956167345894,103.72826005043329,6.983192610169487,7.248871862068972,7.100367789473694,6.9869183209876695,6.957203925925948,6.970249722222245,6.969118962962987,6.967826666666687,6.966335555555574,1.1995528168467788,1.6334822827586193,1.2372464915471586,0.989967104317472,0.934204134276353,0.9605418385398047,0.9577518214098932,0.9545632304042825,0.9508840869362704,166.19998045220274,144.95172962303454,155.65917099588373,164.26085781060314,166.5823043479349,165.57721722992116,165.66047500792644,165.7556267542182,165.86541723070866,1.4835216572504708,1.8304597701149425,1.5519005847953222,1.4053497942386832,1.3482510288065845,1.3692129629629628,1.369753086419753,1.3703703703703702,1.371082621082621,0.08265622961535184,-0.005562049665623421,-0.03174428454486367,-0.011730160775247564,0.004917989326576453,2.7959930555710322E-6,2.496517780372666E-8,1.8214596497756474E-17,-3.780829815891451E-15,1559.4943532203415,-55.64654248779094,-600.1479607308264,-239.62792358805132,107.15437337805106,-5.982003317438483,-6.12111967365783,-6.260236029877063,-6.399352386096297,2899.9463426069324,-103.47712194851832,-1116.0007602146725,-445.59835639076925,199.25813295209403,-11.123790609466905,-11.382483414337312,-11.641176219207946,-11.899869024078807,0.3054942372881355,-0.010900775639193557,-0.11756486526860926,-0.046941465096237554,0.020990806090206024,-0.0011718333812115863,-0.0011990853203095028,-0.0012263372594073915,-0.0012535891985052524,12.964109431953204,-0.46259088071194404,-4.989042648478663,-1.9920319800659654,0.890776564670994,-0.04972851967654314,-0.0508849968783225,-0.05204147408010186,-0.05319795128188122,70.42124819019033,-2.5128010058957333,-27.10055884857223,-10.820749331632864,4.838712436975711,-0.27012610813352733,-0.27640811064825055,-0.28269011316297377,-0.288972115677697,4.871939736346524,-1.1678955600242593,-0.7059513549746244,-1.0721057167480614,0.3304366561332941,0.024418270611891814,0.021832806664749495,0.019247342717608064,0.01666187877046641,0.0014009530443279971,-9.589740802799002E-5,-2.784586363584533E-4,-7.240839984720719E-5,3.0357958806027487E-5,1.94166184414655E-8,1.8492724299056786E-10,1.4456028966473392E-19,-3.231478475120898E-17,26.432107681700703,-0.959423146341223,-5.264455795884442,-1.4791847135064895,0.6614467492472288,-0.041541689704433914,-0.045341627212280224,-0.049684412935532246,-0.05469531953928459,49.15163292554123,-1.7840883094572124,-9.789480352760284,-2.750607138214625,1.2299884750129262,-0.07724854589907573,-0.08431469195805416,-0.09239028745403131,-0.10170828225708382,0.005177868428612466,-1.879444075723027E-4,-0.0010312707479702566,-2.897621302236886E-4,1.2957287710003718E-4,-8.13773181396935E-6,-8.882113483774094E-6,-9.732835392122155E-6,-1.0714437594061987E-5,0.2197306683381899,-0.007975704839861104,-0.0437635320041988,-0.012296493704110897,0.0054986207695740365,-3.4533694219821627E-4,-3.769259028023889E-4,-4.130275720643005E-4,-4.5468334428958306E-4,1.193580477799836,-0.043324155274064365,-0.2377242004260722,-0.06679474896069669,0.029868595289973522,-0.0018758757509272732,-0.0020474674862833372,-0.002243572326690268,-0.002469847142544419,0.08257524976858516,-0.02013613034524585,-0.006192555745391442,-0.0066179365231361816,0.0020397324452672474,1.6957132369369314E-4,1.6172449381295922E-4,1.5275668823498464E-4,1.4240922026039667E-4,-0.06845155047576178,-0.19876371837431786,-0.051685101181917,0.021669504862377065,1.3859578320684672E-5,1.3200102868492136E-7,1.0318710555647206E-16,-2.30662868267006E-14,-0.03629764065335752,-0.19916897506925238,-0.05596166341780412,0.025024366471734567,-0.001571637426900836,-0.0017153996101366834,-0.0018796992481204752,-0.002069275753486389,-0.036297640653361204,-0.1991689750692548,-0.05596166341780469,0.02502436647173472,-0.0015716374269009114,-0.0017153996101366704,-0.0018796992481204318,-0.0020692757534863503,-0.03629764065338889,-0.19916897506926615,-0.055961663417804786,0.025024366471737353,-0.0015716374268996344,-0.0017153996101353754,-0.0018796992481190376,-0.0020692757534847553,-0.03629764065335481,-0.199168975069251,-0.05596166341780396,0.025024366471734606,-0.0015716374269007564,-0.0017153996101366153,-0.0018796992481204544,-0.0020692757534864223,-0.036297640653376914,-0.19916897506926104,-0.055961663417804494,0.025024366471736562,-0.0015716374268998881,-0.0017153996101356296,-0.0018796992481193346,-0.002069275753485148,-0.24385188542180372,-0.07499287937664019,-0.0801443113000901,0.02470149894772999,0.002053536915345846,0.001958510501223885,0.0018499088850845867,0.0017245993280007575,1.585256054418907,1.3847849959427956,1.054254180305129,0.9079404569641442,0.9607229692609561,0.9595844040750634,0.95826764999034,0.9567481628685878,1.5526315789473673,1.4218836565096942,1.056172839506172,0.9172027290448337,0.9693165204678356,0.9672319688109154,0.9648496240601496,0.962100764732343,1.5526315789473695,1.4218836565096962,1.0561728395061734,0.9172027290448348,0.9693165204678369,0.9672319688109168,0.964849624060151,0.9621007647323443,1.5526315789473664,1.421883656509696,1.0561728395061734,0.9172027290448345,0.9693165204678361,0.9672319688109159,0.96484962406015,0.962100764732343,1.5526315789473695,1.4218836565096957,1.0561728395061736,0.9172027290448342,0.9693165204678361,0.9672319688109161,0.9648496240601504,0.9621007647323438,1.5526315789473701,1.4218836565096962,1.0561728395061736,0.917202729044835,0.9693165204678371,0.967231968810917,0.9648496240601513,0.9621007647323447,1.824507151140314,1.0790999532073302,1.0471910836232425,0.7899862560666567,0.847398047931966,0.8597989949748729,0.8739715058810521,0.8903244030804897,245.95582203100196,122.97791101550095,195.7138018487815,245.9558220310019,12.945043264789573,122.97791101550095,-5.6843418860808015E-14,0.03057889941378633,0.0016094157586203333,-6.626145632091327,217.5485448066565,11.449923410876659,10.226601838262033,245.95582203100196,122.97791101550095,195.7138018487815,245.9558220310019,12.945043264789573,122.97791101550095,-5.6843418860808015E-14,0.03057889941378633,0.0016094157586203333,-6.626145632091327,217.5485448066565,11.449923410876659,10.226601838262033,245.95582203100196,122.97791101550095,195.7138018487815,245.9558220310019,12.945043264789573,122.97791101550095,-5.6843418860808015E-14,0.03057889941378633,0.0016094157586203333,-6.626145632091327,217.5485448066565,11.449923410876659,10.226601838262033,245.95582203100196,122.97791101550095,195.7138018487815,245.9558220310019,12.945043264789573,122.97791101550095,-5.6843418860808015E-14,0.03057889941378633,0.0016094157586203333,-6.626145632091327,217.5485448066565,11.449923410876659,10.226601838262033,245.95582203100196,122.97791101550095,195.7138018487815,245.9558220310019,12.945043264789573,122.97791101550095,-5.6843418860808015E-14,0.03057889941378633,0.0016094157586203333,-6.626145632091327,217.5485448066565,11.449923410876659,10.226601838262033,245.95582203100196,122.97791101550095,195.7138018487815,245.9558220310019,12.945043264789573,122.97791101550095,-5.6843418860808015E-14,0.03057889941378633,0.0016094157586203333,-6.626145632091327,217.5485448066565,11.449923410876659,10.226601838262033,268.42852516647326,134.09693802183307,213.88320359046037,268.21857595133,14.116767155333157,134.09693802183307,-0.23464912280715566,0.02137323098671312,0.0011249068940375328,-7.306670454035446,243.68452538128633,12.825501335857176,10.442161473951435,0,11.89,12.110360320944858,-0.16472190688155097,0.056239023568801894,5.126990034512479,7.651386109886716,18.0,58.0,58.0,58.0,18.0,0.0,0.0,0.0,0.0,0.0,43.72827999999999,3.5590528279132423,3.507981302186237,3.4134690040662305,3.2771261373010345,3.10381134911849,2.9002860309634193,2.6748478324270297,2.437029193588229,1.9605711228815983,1.922001838150905,1.8540848527355045,1.757854619748677,1.6373431011412654,1.4987682286787076,1.349972995450495,1.2496297225843556,3.586553047737443,3.5362430281695576,3.443524213086796,3.3099800289730257,3.1404811908544072,2.9418372783266693,2.722413754388884,2.4918063658363923,1.9025234614196411,1.862039632497875,1.790391331254763,1.6887674786862563,1.5614515812624126,1.414869344262547,1.257050989738299,1.13454068594835,3.7066546062016803,3.6598911173529123,3.5751870869943034,3.454028732639584,3.3012371657593658,3.123681812493863,2.92982359438039,2.7292557487972857,1.7304784901938604,1.684453417676159,1.6013549282499304,1.4826472153784223,1.3331169034938914,1.159612363805782,0.9705738910116501,0.775545037241224,3.6067671006971587,3.55703011691035,3.4656428726294135,3.3341713193232296,3.1674905142449234,2.9724383552654414,2.7574200507130318,2.5320627990171607,1.8654535340865532,1.8237539863896175,1.7496786902101247,1.6444975715255876,1.5126369120923147,1.3606445141260703,1.1966645376895537,1.0582626705327123,3.764690932788077,3.7197418673148652,3.6389474180111727,3.5237351242887356,3.3788264352005233,3.211020847782361,3.0287092215347746,2.8413418886189246,1.676346193799346,1.6286580586591264,1.541914336275807,1.4176264103097846,1.2606466167992685,1.0778551342999725,0.8777209555501948,0.6698792950907934,3.623793914314246,3.5840186544675574,3.5044636776712927,3.3848339346514957,3.2284558620419777,3.0416924240797116,2.8334139649081918,2.716386854623103,1.8322290372025274,1.7803699589502204,1.6930956920264293,1.57317728290532,1.4265490210388303,1.261134384375402,1.0857190409724986,0.9090341243419097,0,0,0,0,0,3,15,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.2886751345948129,0.20412414523193154,0.14433756729740646,0.2886751345948129,0.20412414523193154,0.14433756729740646,14.183951986987843,9.270055610029663,6.778716062424725,4.135027805014831,2.747129506024276,1.8175139025074154,1.1967880577155008,0.7837569512537077,0.7465237887888339,0.5150030894460924,0.37659533680137364,0.2584392378134269,0.18314196706828506,0.12982242160767252,0.09206061982426929,0.06531307927114231,14.183951986987843,9.270055610029663,6.778716062424725,4.135027805014831,2.747129506024276,1.8175139025074154,1.1967880577155008,0.7837569512537077,0.7465237887888339,0.5150030894460924,0.37659533680137364,0.2584392378134269,0.18314196706828506,0.12982242160767252,0.09206061982426929,0.06531307927114231,29.836556075717425,56.75673707210496,53.50980392156856,54.20000000000005,34.97108982035934,453.82240718562883,0.505704340266397,0.9619785944424569,0.9069458291791281,0.918644067796611,0.5927303359382938,7.691905206536082,7.513800000000008,89.76700000000008,122.97791101550095,195.7138018487815,245.9558220310019,12.945043264789573,122.97791101550095,0.03057889941378633,0.0016094157586203333,-6.626145632091327,217.5485448066565,11.449923410876659,10.226601838262033,467,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,15.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.800000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.965620146188242,0.0,21.967411081127562,0.0,0.0,0.0,0.9003021060175309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.294480071797465,0.0,1.37219083405421,0.0,0.0,0.0,0.9003021060175309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3355700371953887,0.0,1.4858847736625513,0.0,0.0,0.0,0.9003021060175309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,29.833333333333332,1.5701754385964912,0.2,2.3355700371953887,0.2,0.9003021060175309,13.980068439314254,0.4330312273158024,0.3355700371953886,1.9312402923764838,0.4330312273158024,0.3355700371953886,1.9312402923764838,9.5,0.5,0.0,0.0,0.42881,0.7,0.42881,0.42881,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.15789,0.05263,0.0,9.0,0.47368,9.0,0.47368,0.0,0.0,-9.0,-0.47368,0.0,0.0,26.263,1.38226,26.263,0.0,0.0,9.27005,0.4879,9.27005,0.0,0.0,0.14395,0.00758,0.14395,0.00758,0.0,18.0,0,0,0,0,0,0,1.0,0.906579548498746,1.200687621704456,2.054816621953866,2.5938359648280103,2.6657264378070695,2.6073979732034402,53.48819336142601,70.84056968056291,121.23418069527808,153.03632192485261,157.2778598306171,153.83648041900298,0.15411092274196259,0.20410682946923125,0.34930159873915445,0.4409303680442405,0.45315114574158155,0.44323579576807653,4.976063500863096,4.681955427657385,3.8278264274079756,3.2888070845338313,3.216916611554772,3.2752450761584013,0.15475972852298456,0.20496611762706957,0.3507721557415393,0.4427866814497105,0.4550589085257039,0.44510181500625673,6.700326184183171,10.22962306265169,13.559488694285779,14.576357000186395,14.533804544676965,14.475019657971302,75.21928437217133,64.94542962116813,60.591712839593924,55.85595895915032,56.94075232848553,58.03173288745341,19.0,16.055555555555557,18.0,19,0,18,3.55,2.785700000000001,0.3601460384044719,6.193404272368281,1.1905507889761497,0.0,25.332009090222645,2.3352028838688117,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.103,0.084,0.08800000000000005,0.024999999999999994,9.027000000000001,18.0,16.0,15.0,14.0,13.0,12.0,11.0,10.0,9.0,155.0,2.9444389791664403,2.9444389791664403,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,5.049856007249537,1.0,0.47058823529411764,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,0.8333333333333334,18.0,1.0,2,9.0,17.0,0.8888888888888888,1.5,0.44444444444444464,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.08333333333333333,0.02469135802469137,0.015625,0.010666666666666668,0.007936507936507938,0.006279434850863422,0.005208333333333333,0.0044893378226711555,0.004000000000000001,0.0036730945821854912,0.1882332991726554,122.97791101550095,195.7138018487815,245.9558220310019,12.945043264789573,122.97791101550095,0.03057889941378633,0.0016094157586203333,-6.626145632091327,217.5485448066565,11.449923410876659,10.226601838262033,0.0,337.1801665922683,5.247927513443585,4.290459441148391,4.948759890378168,5.638354669333745,6.3080984415095305,7.00033446027523,7.674617497364363,8.367532416861831,9.0441677169216,9.737255856891121,100.009580390684,3.6109179126442243,0.0,4.6913478822291435,0.0,5.8888779583328805,0.0,7.13966033596492,0.0,8.420021279663963,8.751474487140904,268.3130012800003,4.547677987796615,36.6615552080161,1.9295555372640052,0.0,0.0,0.0,1124.0,16.0,11.090000000000003,72.0,1.2402413793103448,2.1426956376096697,2.874559716554487,3.5855609838746423,4.867136593255961,5.90894357324821,7.184220714042649,8.309398715044075,9.575800512559553,10.73501359623082,77.48041673886206,73.58473134620272,70.79603403397682,87.40435918162063,115.59929876608764,138.4223679770443,161.03203594249467,182.88792308375275,204.08461871705876,224.1416637721844,288.24769836847616,335.0170032874314,344.7470014337573,429.1766101798119,571.0073132802897,692.6034423163442,815.7529595071476,936.307171323657,1055.8108027918695,1171.4331333272453,9.027460039034489,15.263888164954633,20.139568719068198,25.126040449112075,34.06897146432661,41.37957892325416,50.228011082529555,58.08797257016188,66.87171850517599,74.94373071772988,2.1729292634689648,2.7873256558153052,3.0243328244090413,3.7725380139332816,5.041593671820096,6.131716825647834,7.277374335377319,8.380472538331349,9.503565082312049,10.58294215997232,177.46476382809604,329.9505923229981,468.4309566591672,583.8241268190886,795.386648201385,964.0431245185512,1178.3452408018259,1363.2304727261135,1576.2170465473055,1768.6354201911302,2.3330201149425283,3.411386490613243,4.137370855259039,5.1033091426060695,6.888323770975045,8.394888496620647,10.108437377491432,11.701893891287986,13.419442353665104,15.051063506846488,0.45008922413793057,0.588115548253646,0.6453147466270794,0.8051530998236577,1.0769805760358848,1.3102104700955761,1.557344499471173,1.794293950728077,2.036921353062039,2.269615822294349,773.3646854369541,795.8020366712472,19.607308842482773,226.90202027937488,-233.48504691693392,-13.478292680496194,546.4626651575793,1029.287083588181,33.08560152297897,0.773158479650803,0.7955898483108493,0.019602080855466674,0.22684152034919697,-0.23342279172405964,-0.013474698901273412,773.5709462193672,796.0142816234936,19.612538223832892,226.96253634523,-233.54731871362404,-13.481887418200438,0.028558849018979027,0.0633285454274604,0.479521199507857,4.206253608643173,1000.266705716329,0.0,1.0,0.0,1117.468244630699,33.42855433055248,10.377157225804657,1504.9496879022051,38.793681030577716,11.459719664321376,1956.9547294648924,44.23748104791787,12.508164755305616,4.225876401426611,4.225876401426611,12041.686675142639,11968.378939170614,161.76303670256857,1.0061251182256687,74.44028574515153,73.98710597388639,8.179611885883132,11.837186512466076,22.40291636690961,0.892587934076773,11.156022137439763,17.073401419581305,6.159832374231532,79.24278418090873,31.044368550113866,3.228538135450439,13.989549315215585,13.045772978051122,57.758400234864745,3.887443992224225,3.161618236647308,58.19893899890364,7.479678786037194,66.7672045778327,3.715260976576435,2.5758065977693367,29.698013762162102,6.4068690140779525,61.29729048939149,5.869511262171809,3.1914644926202946,19.83286739140372,5.498175179656699,49.60935470754121,7.74499273025747,4.176278009598304,12.787227935911256,4.259420018505377,35.14561130215894,8.679838823083612,0.9362476325702136,17.072554371726433,0.42786481742128035,18.492950554134374,0.7199256331888322,0.09063228431177056,1.9093264284618183,0.527042602185507,15.074492398070278,0.14862129717980171,0.03353754533536975,4.240059312444467,0.2753644179547866,13.853625512490588,0.13061101004764414,0.12032932785853125,1.9569830424354455,0.09981873769149582,11.445112671920635,0.25639730622752105,0.27283896515374984,0.739237328040207,0.07245554038832848,8.608519609878002,0.3409563388331318,0.35579389988081855,0.38037572602154446,0.06246490686516612,5.90244264169181,0.3688072686612396,3.022321486875124,17.07261254804933,1.4399018967035786,23.140725209642415,2.7600254025122983,0.4110097965609094,4.19182017959212,2.0352836674986694,20.632945901940047,0.5965838573980865,0.25242404968796767,13.093358879540089,1.1210854219248403,22.096344228643503,0.5410156966345678,0.4151565933484376,5.179449263069929,0.6107490023896469,19.30475987800725,0.9833141398337427,0.7894972627281021,2.4254979638909915,0.49019747396496327,14.824736536266878,1.3042754750364416,0.987734956749231,1.5249630542573875,0.3960272077389424,10.1642435015722,1.4275262378401965,10.5303748653487,17.073308978296026,5.753037442964884,72.7811234387424,27.71987830609579,2.923184286424335,13.18514806940063,11.908956442880344,54.02945562380891,3.5470447850364413,2.8216712084107867,54.1311750198858,6.817590552736522,62.622912455325455,3.38214640436367,2.352470803228794,27.136511956199783,5.746065433486863,57.42596509775333,5.377708945398249,2.9848069983881116,17.88173518044365,4.922001169381433,46.33767848671856,7.097857782308924,3.890068164891884,11.536690730691106,3.817420885556087,32.75136042916911,7.9454322266885224,4.454345789888455,17.0726865482618,2.1815410677282245,28.633172802160747,5.392641223083382,0.72599391128948,5.813117218004178,3.3815491534097917,25.385209741694602,0.9976887409696655,0.5272770685934342,19.812474995361843,1.8871722741903068,28.514256407650542,0.9181459106882985,0.6788271361167872,8.116078464595809,1.1920375654808637,25.38790240310672,1.6066818430562304,1.1676520471014797,4.239601110093967,0.9817691630123628,19.731223356979356,2.128277160070447,1.4654576088831166,2.7227872778701383,0.7803341233379153,13.59678472464056,2.3436617545395633,13.472512379124632,17.07378976997891,7.729467513771808,106.2814211972249,45.02031959817405,4.487716842434055,17.04152719753502,17.675487040276447,72.83198616132884,5.274401589690351,4.588840818560994,74.12800233609568,10.182073808190538,83.13916788455444,5.0776922243922815,3.485619566052196,40.16221869891309,9.165417654931371,76.56144532320042,7.858671491858882,3.988394875934425,27.945199556196435,7.908549295806013,62.58767790356111,10.361161477176971,5.295392560612281,17.97489637338147,6.1060707580095785,44.69624698480321,11.65518046351321,7.277614903241893,16.09390245481461,3.5162680189833244,43.94912092131483,13.02343758542409,1.6590388987131477,8.67199973074669,6.551182047382784,35.505252787447155,2.0117312460780794,1.3011534062962744,33.15851167200627,3.8236980153387177,41.2988447333004,1.7834163925501612,1.267983215576711,15.343163914215125,2.7447434350011726,37.80816950566789,2.948016454658509,1.8435877838551606,9.212013748444923,2.3190703622859923,30.32438659813996,3.896928788179542,2.3574690673751157,5.999095949370894,1.8132842353368508,21.546547760306726,4.332206982952728,46.767346334654086,0.9456447780558707,0.5924935279530688,0.968158102181338,0.01957634386841111,0.5744833021124931,0.4894928374135052,0.4725244447429291,48.305484640663025,72.49493527845894,147.0036220715261,0.952237153272007,1.5365005842689274,44.440941324967426,0.43814473139339605,0.16486842002204016,0.9866127839257186,0.009727048534851023,0.5187660393790136,0.10437046606767307,0.036302416686560625,45.04395447638286,26.870708309842907,75.12490882767446,0.9799191758885779,0.6594389221332473,45.37990647961653,0.6429809434780421,0.3375434741444018,0.9788499718694192,0.01386917530821171,0.5409108524235179,0.22549095130111693,0.1527977953693652,46.36043089723898,44.71314039415719,100.92255488861001,0.968274957804129,0.9191995990940001,46.71123996533075,0.9334057035141792,0.5821879717926,0.9685736433247881,0.019354488633225562,0.5731059854749315,0.47684502924847194,0.4561824750893364,48.22683364063753,71.3386774305811,144.9492197431496,0.9528604649871821,1.5061334898127399,45.792004311832414,0.7328795748505972,0.41329262093338764,0.9755812372558187,0.015613720629553574,0.5507766158713417,0.29330134849095074,0.22938401278975262,46.938176507616404,52.78841585176121,113.59670290623161,0.9633718558837282,1.073461977152045,46.942525456301794,0.9838582692200034,0.6246679937872697,0.9668693837508046,0.0202644069361883,0.5787943332634715,0.5300532855375087,0.5253956280558549,48.551051719309065,76.12286981955359,153.52408280619352,0.9503040756262068,1.634243246856835,46.83340746601762,0.9371096860851706,0.5843663663232053,0.9685352141975773,0.01937983545608331,0.5761073179524896,0.4801352106726319,0.4587297239535572,48.35488351842599,71.80352329433332,145.80510113748883,0.9528028212963658,1.5149722525786788 +UMLCN0256,L,"2,2-dimethyloctane",CCCCCCC(C)(C)C,Alkanes,,C10H22,NREL (2014),Unknown,PubChem,,59,0,0.5178999999999983,0.2682204099999982,41.5373,32.26944599999997,0,0,32,10,22,0,10,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1464.9946179999977,1564.7330249999993,1991.6052349999973,1661.7708309999966,1292.8093979999937,1068.6189409999965,871.8622120000002,675.1054830000003,236.21673600000005,4919.011394973758,6335.857675895376,8858.681298425045,9614.76474099275,7941.475800760122,6095.4163561698915,5088.6180112147695,4081.8196662596565,2624.766494426084,223.21136800000014,224.4525480000001,424.923788,570.7066840000007,682.0352880000006,437.75185999999974,374.86695999999995,311.9820600000001,249.04972800000021,37.67048390667801,49.598074820000015,73.86973730243295,87.20808802667787,78.15034230548696,57.124265015168106,48.10273615577209,39.08120729637604,28.04682986728198,5336.131905433479,4509.845254493801,9438.259528215036,12918.121318234278,17004.254645454686,10532.522885761371,9053.567730722774,7574.6125756841775,6084.723595268683,50.8125,60.375,95.875,130.875,127.625,88.375,76.0,65.25,54.0,45.78108181249993,50.47525887096772,33.193420583333285,20.515689271604895,13.058680787878725,16.962205412698356,16.145596518518524,15.002344066666673,6.561576000000001,153.71910609292993,204.38250567404438,147.64468830708407,118.70079927151544,80.21692728040527,96.75264057412527,94.23366687434758,90.70710369465904,72.91018040072456,6.975355250000004,7.240404774193552,7.0820631333333335,7.045761530864206,6.889245333333339,6.948442222222218,6.94198074074074,6.932934666666669,6.918048000000006,1.1772026220836878,1.5999378974193552,1.2311622883738826,1.0766430620577514,0.7893973970251208,0.9067343653201286,0.8907914102920758,0.8684712732528009,0.7790786074244994,166.75412204479622,145.4788791772194,157.3043254702506,159.48297923746023,171.76014793388572,167.18290294859318,167.65866168005138,168.32472390409282,169.02009986857453,1.587890625,1.9475806451612903,1.5979166666666667,1.6157407407407407,1.2891414141414141,1.4027777777777777,1.4074074074074074,1.45,1.5,0.04398157056377713,-0.00778482930163766,0.0036553077950075286,-0.03589219495428713,0.015180391029612243,-2.394262736698594E-5,5.987166295974664E-4,0.002818151032084164,-0.015115532738379307,832.3288118749986,-57.222605816406926,-1.8916563906256556,-691.8733248710948,307.86707757421925,-11.822852441406269,-12.295766539062413,-12.76868063671867,-255.37361273437494,1547.7509673946547,-106.40787900838218,-3.5176158349873745,-1286.567991646808,572.4919771442727,-21.985098968674226,-22.864502927421047,-23.743906886167867,-474.87813772336085,0.16304749999999982,-0.011209515624996457,-3.705624999971839E-4,-0.1355332343749971,0.06030904687499652,-0.002316015625000581,-0.0024086562500006655,-0.002501296875000722,-0.0500259375000007,6.919166958336868,-0.4756927283856385,-0.01572537945074831,-5.751557534117516,2.5593055056120866,-0.09828362156728704,-0.10221496642997979,-0.10614631129267255,-2.12292622585336,37.585024733086804,-2.583970450400118,-0.08542051075732804,-31.242551809378774,13.902188125704681,-0.5338781922312712,-0.5552333199205186,-0.5765884476097696,-11.531768952196998,3.888671875,-1.94097900390625,2.216552734375,-3.73773193359375,1.24285888671875,0.02386474609375,-0.1187744140625,1.36358642578125,-2.195068359375,0.0013744240801180352,-2.5112352585927937E-4,6.092179658345881E-5,-4.431135179541621E-4,1.533372831273964E-4,-3.8004170423787205E-7,1.1087344992545674E-5,6.262557849075919E-5,-4.198759093994252E-4,26.010275371093705,-1.845890510206675,-0.031527606510427596,-8.5416459860629,3.109768460345649,-0.18766432446676617,-0.22769938035300766,-0.28374845859374825,-7.093711464843748,48.36721773108296,-3.4325122260768444,-0.05862693058312291,-15.883555452429729,5.782747243881542,-0.3489698248995909,-0.4234167208781675,-0.5276423752481748,-13.191059381204468,0.005095234374999994,-3.615972782256922E-4,-6.176041666619732E-6,-0.0016732498070987296,6.091822916666315E-4,-3.6762152777787E-5,-4.460474537038269E-5,-5.558437500001605E-5,-0.0013896093750000195,0.21622396744802713,-0.01534492672211737,-2.6208965751247184E-4,-0.07100688313725328,0.02585157076375845,-0.0015600574851950323,-0.0018928697487033295,-0.0023588069176149456,-0.058970172940371116,1.1745320229089626,-0.083353885496778,-0.0014236751792888007,-0.38571051616517005,0.14042614268388567,-0.008474257019543987,-0.010282098517046642,-0.012813076613550436,-0.32032691533880553,0.12152099609375,-0.06261222593245967,0.036942545572916666,-0.046144838686342594,0.012554130168876262,3.788054935515873E-4,-0.0021995261863425927,0.030301920572916665,-0.06097412109375,-0.18271182053046753,0.04432532685124875,-0.32239941395388505,0.1115647530813254,-2.765097830687266E-4,0.0080669024596786,0.045564960187092274,-0.30549225342687997,-0.07096774193548483,-0.0012121212121216343,-0.32839506172839616,0.11955922865013814,-0.007215007215007239,-0.008754208754208707,-0.010909090909090861,-0.27272727272727315,-0.07096774193548365,-0.0012121212121210478,-0.3283950617283954,0.11955922865013771,-0.007215007215007265,-0.008754208754208757,-0.01090909090909085,-0.27272727272727326,-0.07096774193546153,-0.0012121212121120018,-0.3283950617283884,0.11955922865013097,-0.007215007215009033,-0.008754208754211183,-0.01090909090909407,-0.27272727272727687,-0.07096774193548071,-0.0012121212121198788,-0.3283950617283947,0.11955922865013698,-0.00721500721500736,-0.00875420875420904,-0.01090909090909139,-0.2727272727272731,-0.07096774193549486,-0.0012121212121256476,-0.32839506172839894,0.1195592286501413,-0.007215007215006195,-0.008754208754207463,-0.010909090909089305,-0.27272727272727065,-0.5152379255034752,0.30400133936045537,-0.3797272913295013,0.10330832179149607,0.0031172020122296365,-0.01809996837621147,0.24935543278084712,-0.5017579105976896,1.712665107277416,1.0514627702138224,1.4617119234772726,0.6782561817163542,0.9273895419395259,0.9104492868566969,0.88376077600754,1.3031124743654494,1.6000000000000039,1.2024242424242455,1.4473625140291846,0.6831955922865031,0.9304473304473327,0.9185185185185207,0.901818181818184,1.1272727272727299,1.6000000000000003,1.2024242424242426,1.4473625140291808,0.6831955922865014,0.9304473304473306,0.9185185185185187,0.9018181818181822,1.1272727272727276,1.5999999999999994,1.202424242424242,1.447362514029181,0.6831955922865011,0.93044733044733,0.9185185185185182,0.9018181818181814,1.127272727272727,1.6000000000000019,1.2024242424242437,1.4473625140291804,0.6831955922865023,0.9304473304473316,0.9185185185185196,0.901818181818183,1.1272727272727285,1.600000000000002,1.2024242424242435,1.447362514029181,0.683195592286502,0.9304473304473315,0.9185185185185197,0.9018181818181829,1.1272727272727285,2.121546961325967,0.5646743679892852,1.6331268485964618,0.5712169408804266,0.8343577846340278,0.9180571832505534,0.7473631341034657,1.9929683576092416,60.52723843203349,30.26361921601675,47.783408638946206,60.5272384320335,6.05272384320335,30.26361921601701,7.105427357601002E-15,0.14810767456185442,0.014810767456185443,-1.90981573891694,102.66795667294737,10.266795667294737,4.631500059222766,60.52723843203349,30.26361921601675,47.783408638946206,60.5272384320335,6.05272384320335,30.26361921601701,7.105427357601002E-15,0.14810767456185442,0.014810767456185443,-1.90981573891694,102.66795667294737,10.266795667294737,4.631500059222766,60.52723843203349,30.26361921601675,47.783408638946206,60.5272384320335,6.05272384320335,30.26361921601701,7.105427357601002E-15,0.14810767456185442,0.014810767456185443,-1.90981573891694,102.66795667294737,10.266795667294737,4.631500059222766,60.52723843203349,30.26361921601675,47.783408638946206,60.5272384320335,6.05272384320335,30.26361921601701,7.105427357601002E-15,0.14810767456185442,0.014810767456185443,-1.90981573891694,102.66795667294737,10.266795667294737,4.631500059222766,60.52723843203349,30.26361921601675,47.783408638946206,60.5272384320335,6.05272384320335,30.26361921601701,7.105427357601002E-15,0.14810767456185442,0.014810767456185443,-1.90981573891694,102.66795667294737,10.266795667294737,4.631500059222766,60.52723843203349,30.26361921601675,47.783408638946206,60.5272384320335,6.05272384320335,30.26361921601701,7.105427357601002E-15,0.14810767456185442,0.014810767456185443,-1.90981573891694,102.66795667294737,10.266795667294737,4.631500059222766,75.30388294379753,37.51527480523211,59.92801577695683,75.08521627713088,7.508521627713089,37.51527480523211,-0.273333333333305,0.11865678197548679,0.01186567819754868,-2.131520138227065,63.011171351964016,6.301117135196401,4.143312033718708,0,11.89,12.110155106233558,-0.15944888153524095,0.06182911494655216,5.146643343639026,8.86504842663528,9.0,31.0,31.0,31.0,9.0,0.0,0.0,0.0,0.0,0.0,24.050553999999995,3.5827141608567645,3.351012111329502,2.940709586544918,2.413176336575004,2.3335527931030478,2.3335527931030464,1.8687923424451802,1.4204133820136389,1.9557857802320504,1.813790065903755,1.548299588401596,1.2496297225843562,1.2496297225843556,1.2109119664285015,0.887924057146154,0.6549226042702685,3.607134066336059,3.382493335890556,2.9832801319709032,2.471850588581083,2.40545458784129,2.4054545878412896,1.9483312229126446,1.523497051119465,1.8999189149955829,1.746875653448805,1.4637277251839895,1.1345406859483511,1.134540685948351,1.1054864553015664,0.7606197542274232,0.5093286012498731,3.7159027684154258,3.520664792156463,3.168822346325496,2.7234551582776176,2.704236987233521,2.7042369872335197,2.2813203284884067,1.9414346651579906,1.7378701110890995,1.548161108382786,1.2053465314315834,0.7720175086145633,0.7603185604308975,0.7603185604308975,0.3439680939079051,0.01772298793840075,3.6252018734259175,3.405678271559156,3.0145889793455534,2.5148160413658336,2.457539916041694,2.4575399160416938,2.006158210012661,1.597648594340729,1.8645331803734788,1.7040842716052935,1.4089836530561484,1.0582626705327118,1.0582626705327116,1.036296008644568,0.6759947268365478,0.4114675697821154,3.76962972093931,3.5876732149952972,3.2575326966694464,2.8407961925151746,2.838982085149651,2.83898208514965,2.431799492495378,2.123543744312247,1.6881383173256963,1.4857157041745257,1.1221757331991595,0.6609403026393148,0.6313372621875621,0.6313372621875613,0.19989129479307305,0.15878593924094858,3.6182387600231856,3.4200066243502385,3.067458712511276,2.653107864012316,2.653107864012315,2.5797631054061787,2.0766041827249317,1.686201095169648,1.865745333535417,1.6675093803677261,1.3302308035728576,0.9365068269666714,0.8620630878929113,0.862063087892911,0.5666332259324243,0.28645822131550974,0,0,0,0,0,4,5,0,1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5606601717798212,0.35355339059327373,0.0,0.0,1.5606601717798212,0.35355339059327373,0.0,0.0,0.75,0.7803300858899106,0.5517766952966369,0.75,0.7803300858899106,0.5517766952966369,8.035533905932738,4.560660171779821,4.371320343559643,1.7803300858899105,1.0821067811865475,0.6401650429449552,0.35355339059327373,0.2651650429449553,0.8035533905932738,0.5067400190866468,0.39739275850542205,0.25433286941284433,0.18035113019775792,0.12803300858899105,0.08838834764831843,0.08838834764831843,8.035533905932738,4.560660171779821,4.371320343559643,1.7803300858899105,1.0821067811865475,0.6401650429449552,0.35355339059327373,0.2651650429449553,0.8035533905932738,0.5067400190866468,0.39739275850542205,0.25433286941284433,0.18035113019775792,0.12803300858899105,0.08838834764831843,0.08838834764831843,15.960105841644623,30.766205389657678,28.980392156862756,29.35999999999999,18.784099401197608,246.56811137724554,0.49875330755139446,0.9614439184268024,0.9056372549019611,0.9174999999999996,0.5870031062874252,7.705253480538923,4.002900000000003,48.21400000000003,30.26361921601675,47.783408638946206,60.5272384320335,6.05272384320335,30.26361921601701,0.14810767456185442,0.014810767456185443,-1.90981573891694,102.66795667294737,10.266795667294737,4.631500059222766,100,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7999999999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.216196145124716,0.0,6.984457199546485,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5493466553287982,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.261000566893424,0.0,1.3513321995464853,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5493466553287982,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3183985260770976,0.0,1.424375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5493466553287982,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.75,1.675,0.2,2.3183985260770976,-0.0,0.5493466553287982,7.482495035430838,0.7006533446712018,0.3183985260770975,2.4323922902494335,0.7006533446712018,0.3183985260770975,2.4323922902494335,5.0,0.5,0.0,0.0,0.425,0.7,0.425,0.425,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.4,0.0,0.1,4.5,0.45,4.5,0.45,0.0,0.0,-4.5,-0.45,0.0,0.0,12.21799,1.2218,12.21799,0.0,0.0,4.56066,0.45607,4.56066,0.0,0.0,0.35334,0.03533,0.35334,0.03533,0.0,9.0,0,0,0,0,0,0,1.0,0.8960382325345575,1.3213394973607078,2.320356063692049,3.0530074211313076,2.7456573285181993,1.9153082974885982,28.67322344110584,42.28286391554265,74.25139403814556,97.69623747620184,87.86103451258238,61.28986551963514,0.1792076465069115,0.2642678994721416,0.4640712127384098,0.6106014842262615,0.5491314657036399,0.38306165949771964,4.103961767465442,3.6786605026392922,2.679643936307951,1.9469925788686924,2.2543426714818007,3.084691702511402,0.1808644987797396,0.26671117060710975,0.4683617520014767,0.6162467592837266,0.5542084238288469,0.38660323037119027,6.667318507215866,11.77093368512967,16.24712660058325,16.985510978339313,11.698284346474889,12.355176674214679,39.639944988972836,30.667058823326368,26.88739501029789,24.58552538352612,34.599621015968395,32.36193601399235,10.0,4.760330578512397,9.142857142857142,10,0,8,2.56,1.5176000000000007,1.6035674514745466,5.867742660586858,0.0,2.5557724169850897,5.6762400186093895,0.0,1.9192597481868876,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.136,0.111,0.04800000000000004,0.019000000000000017,4.351999999999999,11.0,7.0,6.0,5.0,4.0,3.0,0.0,0.0,0.0,55.0,2.302585092994046,2.4849066497880004,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,0.0,0.0,0.0,4.02535169073515,1.0,0.42857142857142855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.5555555555555556,9.0,1.0,1,4.0,7.0,0.75,3.0,0.666666666666667,0.375,0.24000000000000005,0.16666666666666666,0.12244897959183672,0.0,0.0,0.0,0.0,0.3333333333333333,0.060606060606060635,0.05357142857142857,0.04000000000000001,0.03333333333333333,0.03061224489795918,0.0,0.0,0.0,0.0,0.551456400742115,30.26361921601675,47.783408638946206,60.5272384320335,6.05272384320335,30.26361921601701,0.14810767456185442,0.014810767456185443,-1.90981573891694,102.66795667294737,10.266795667294737,4.631500059222766,0.0,181.5163049594668,4.321928094887363,3.713572066704308,4.343805421853684,5.14166355650266,5.796057750765372,6.6052979209482015,7.270312886079025,8.084254106307318,8.755107121633896,9.571435532348406,78.28150636314287,2.9444389791664403,0.0,4.143134726391533,0.0,5.484796933490655,0.0,6.890609120147166,0.0,8.330622620332868,8.605387202152153,142.172150704,4.4428797095,18.434106124235104,1.8434106124235103,0.0,0.0,0.0,146.0,7.0,6.006000000000002,40.0,1.2320322580645158,2.1253082586200986,2.909516053374438,3.494195963843099,4.56421151491796,5.651378126586057,6.675447701726432,7.779000564722352,8.516190950588808,0.0,73.35104720370964,80.25266225996833,67.6928750992909,57.643462596801086,93.87878416040427,107.32716246055232,115.09820746491144,53.69951744835831,8.652995042019066,0.0,277.88990195892205,341.3736064882506,366.39185489510595,318.4632490922316,495.62054942786983,584.0704418632298,657.847077289258,587.2085810328387,264.7151030331035,0.0,8.956135160129032,15.113517776696511,20.540058267972494,24.174429743074178,31.86485800728433,39.37105164377027,46.43790778272643,53.91112572424217,57.21572231865667,0.0,2.11269994434387,2.7845247707636296,3.2553033834553613,3.0030235339147486,4.489598256619277,5.3656722371967875,6.146222392253735,6.220705049423713,3.7864083967900553,0.0,177.01061103947418,329.8734404789587,461.2285564053447,592.5951833720526,751.8042740856655,937.153344959757,1111.7463545407236,1307.1904785901795,1574.7940347730387,0.0,2.4503588709677415,3.5350912066170728,4.782706744054869,4.676099899603138,6.67629063317088,8.21610905054254,10.057315343822847,11.908065204611711,8.516190950588808,0.0,0.4382847580645162,0.5859494828600682,0.6946304474782822,0.6495898765787538,0.9631915204444095,1.1540612215350368,1.3255437107925008,1.3647289522763448,0.8720579533402938,0.0,452.3295209568179,247.03083276049355,11.056477930929145,157.90367897751094,-86.23597511665399,-9.534581297399354,294.42584197930694,333.2668078771475,20.591059228328497,0.7412404323551978,0.4048138200069712,0.01811844706600526,0.2587595676448019,-0.14131642645128842,-0.015624487980046693,276.0264909982411,150.74641555787807,6.747029907794181,96.35806730384954,-52.624055044892934,-5.8183180551460145,0.04950211234632356,0.11952511244791077,0.6690988405527201,7.780930456174545,610.233199934329,0.0,1.0,0.0,558.7341223153494,23.637557452396585,8.236355148340857,771.8489161146773,27.78216903185706,9.1729867504517,976.7707815784165,31.25333232758415,9.921961860975323,2.2506627376155937,2.2506627376155937,1268.6508590958508,1253.6287244840282,143.226072455647,1.0119829215129108,8.857680988834735,8.752796910438503,5.195589387439789,5.6454556919422,10.065582814166165,0.7829531154646816,6.135812175590673,8.536805227724967,3.6712021163002295,35.041362698448054,10.047799517208164,6.42096577813151,8.442378008698023,14.575608786042768,15.371890052669485,5.948882122758191,4.125604204358566,14.730894939105546,7.52902027566275,8.039843325477536,3.7760926742430065,4.561391631457186,1.5766898989588856,1.7074487544727006,2.0081398576126404,1.273792687859013E-8,2.405680934114316E-38,8.763008205713223E-90,6.15664787726622E-163,8.342790099354308E-258,0.0,0.0,0.0,0.0,0.0,0.0,0.5149361979124285,8.536277970126301,0.21801739501871029,11.657268585567643,1.0693893003745176,0.18062227716365875,0.7269512462852307,0.6986195297722915,4.405547834076069,0.24731142390908895,0.04027056860894268,1.5893115784290153,0.3803755766837581,2.5675100676818405,0.14693341135021046,0.21200553449165457,0.01291984013808934,0.060848571246903314,0.01414349321329404,8.97142605261346E-11,1.6943407520154841E-40,6.171858330270352E-92,4.336177439965565E-165,5.875895282036436E-260,0.0,0.0,0.0,0.0,0.0,0.0,1.6622768177801268,8.53631406871707,0.7631437678402183,14.315748740284675,1.690434788667617,0.8190025018065459,1.8385860417673612,2.520492341109252,6.0387382519963175,0.9639080297590935,0.32962691422302887,3.149042324571536,1.3936079216110744,3.381670066482768,0.586314461868724,0.7936129043474239,0.11741484745559559,0.25075247373855847,0.14738610397310972,9.34891764740767E-10,1.765633697958769E-39,6.431552232920199E-91,4.518631213482034E-164,6.123135917789497E-259,0.0,0.0,0.0,0.0,0.0,0.0,5.791706175940589,8.536747645889356,3.40328910630965,32.8616901643573,9.0695097765315,5.814150499517545,7.806163210030033,13.368511415494243,14.486412611730357,5.4416260110549715,3.682860194265666,13.529186072183686,6.933620045665338,7.597689209832773,3.4472900756227998,4.186803662598104,1.4050019242709917,1.554923540772566,1.7892164595016642,1.1349263521016357E-8,2.143418401517005E-38,7.807682546100146E-90,5.485462417172714E-163,7.433275778748874E-258,0.0,0.0,0.0,0.0,0.0,0.0,2.449890184437457,8.536360086795941,1.1847867133579169,16.76861378725831,2.4765238807336445,1.4458959815990728,2.739236487168596,4.071253574480796,7.33959060114624,1.5886166819852494,0.6899483534613455,4.553115287289247,2.2215744546506118,4.030490751108093,0.9774299716251267,1.2837837815903137,0.2528973967653917,0.42452603841231507,0.3201423125376361,2.0307098394507202E-9,3.835192327643233E-39,1.3970190876538346E-90,9.815070805133794E-164,1.3300269427442345E-258,0.0,0.0,0.0,0.0,0.0,0.0,7.409881808517352,8.537047157571832,4.727327985433896,43.961137464476785,14.156652239139117,8.922957156049073,10.984070635505015,19.450927321133676,18.893538255812757,8.006658803547838,5.983617438191018,19.631262018785055,9.912650011830657,9.798592461602372,5.114568865823689,6.071313395906197,2.298614494547514,2.3309068818609813,2.9286832541856804,1.857706922202059E-8,3.508459552727724E-38,1.2780023906738514E-89,8.978892317541687E-163,1.2167175291372618E-257,0.0,0.0,0.0,0.0,0.0,0.0,3.8768978691053886,7.226263981468409,1.6855817686899157,22.46863880883277,4.336113599421387,2.9029887640817376,4.112197916686443,6.773158254219075,9.60330951056358,2.7988690563902243,1.4943714734914053,7.472122766298951,3.8181978309644697,5.439411119699079,1.6275986759921197,2.452542937556072,0.5639311978781933,0.8349304656852836,0.715754905809807,4.540138784973091E-9,8.574492079712418E-39,3.123371158195846E-90,2.1943944316386617E-163,2.973594154369991E-258,0.0,0.0,0.0,0.0,0.0,0.0,9.391283717995657,1.0617445959207361,0.9335205090403953,0.824769986412528,0.09324551384525911,0.5494283733567319,0.4894726297019423,0.4551976027037689,11.386548822956788,19.729261048961185,40.42407798190182,0.737154979618792,1.4940986057624432,8.36742549133415,0.557331614295032,0.45078696649868466,0.8924735916083305,0.05944525565741812,0.43644052060739846,0.13501675122710072,0.10614387555793235,9.375544072127866,8.686594938962823,20.16435281532545,0.8387103874124957,0.6776011473924316,8.786424005467705,0.7637980955292716,0.6483519872312139,0.8615345566405725,0.07489263586474246,0.4811095252646827,0.2534824697285033,0.2195704700058073,10.19857408822819,12.902959399569756,27.45265863447045,0.7923018349608589,0.9541624649989934,9.367146632336482,1.04985719982437,0.922141490969686,0.8260893008601444,0.09258697811049157,0.5466152767450836,0.4785881577442688,0.44416810078933866,11.339145323130538,19.440117778994797,39.84775590759102,0.7391339512902166,1.469371535278691,8.96783195106996,0.8531699999851533,0.7338829555296746,0.8496380614700283,0.08083176723726218,0.5011237733022529,0.31621156293723773,0.2813233896027903,10.554884906584787,14.858551123664242,31.028437039238003,0.7744570922050426,1.0986587258422809,9.466473822799422,1.098774210407983,0.9689672428023723,0.8207297675888633,0.09526215560527496,0.5582377869165818,0.5241596361969703,0.490422548351985,11.534215276009778,20.63889655625444,42.25184137140085,0.731094651383295,1.572819971465537,9.393766952459119,1.0525203546519084,0.9257694325729663,0.8260394023254013,0.09255320992015695,0.5497126888718994,0.480992400895426,0.4476699186973475,11.372056739683995,19.557984397118005,40.08324472238403,0.7390591034881021,1.4783750084646727 +UMLCN0257,L,"2,6,10-trimethyldodecane (aka farnesane)",CCC(C)CCCC(C)CCCC(C)C,Alkanes,,C15H32,NREL (2014),IQT,UML,,58.6,0,1.0493999999999994,1.101240359999999,63.7791,47.73737599999996,0,0,47,15,32,0,15,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2196.4758629999965,2407.1245100000006,2960.1479200000017,2887.6864940000014,2530.751339999997,2258.3038909999955,2294.534603999997,1867.6721359999954,1368.5001179999933,7347.433348029707,9600.808348347215,13426.416856736732,15099.011292646857,14204.429402250107,12415.960125779073,11579.66290782401,10901.316785826262,8723.146732276036,328.098588,333.3314480000002,638.5713280000012,885.178616000002,1001.2735200000036,875.5274360000025,752.2237920000016,694.0577600000016,744.8964720000012,56.061112955168056,74.67801791999999,112.3081880266778,134.32858089335582,132.29158774912767,115.2549543151846,104.24475788184569,100.23113302971477,86.16544688003384,7819.28020612597,6675.042512072803,14059.270523044275,20323.830918804102,24022.956081599845,21070.512684211142,17938.232486331235,16061.33534149111,18477.742887804816,73.08333333333334,87.66666666666667,140.99999999999994,190.41666666666663,200.22222222222217,172.16666666666666,152.16666666666663,153.58333333333331,142.3611111111111,46.733528999999926,52.32879369565219,32.89053244444446,22.91814677777779,17.574662083333312,17.92304675396822,21.245690777777753,18.865375111111064,12.671297388888828,156.32836910701505,208.7132249640699,149.18240951929704,119.83342295751474,98.64187084895907,98.53936607761169,107.21910099837045,110.11431096794205,80.76987715070403,6.980821021276596,7.246335826086961,7.095236977777792,7.025227111111127,6.953288333333358,6.948630444444464,6.965035111111126,7.010684444444461,6.897189555555566,1.1927896373440012,1.6234351721739129,1.2478687558519754,1.0660998483599669,0.9186915815911644,0.9147218596443223,0.9652292396467194,1.012435687168836,0.7978282118521652,166.36766396012703,145.10961982766963,156.21411692271417,161.30024538733414,166.82608389999893,167.22629114453287,166.09474524380772,162.23571052011224,171.09021192411868,1.5549645390070923,1.9057971014492754,1.566666666666666,1.5112433862433858,1.3904320987654317,1.3664021164021163,1.4089506172839503,1.5513468013468013,1.3181584362139915,0.06463679758346834,-0.008402523229167966,-0.009767503032108136,-0.02024267828890139,-0.0021395397283602065,0.002561022921338034,0.018317815562188502,-0.028328319426331888,0.007732587521715176,1236.4188153191476,-56.12113771661601,-198.72582554730852,-460.58793102580546,-17.09940914803144,103.52815346355789,234.45920620280663,-592.6150997360812,203.54873581982866,2299.17358406015,-104.35965204244677,-369.5391585018667,-856.482925551479,-31.797081481679403,192.51502217595922,435.9869057007664,-1101.9930835302414,378.5075660992638,0.24220595744680856,-0.010993745586233505,-0.03892902489814001,-0.09022601358080325,-0.0033496568583080625,0.020280454504299234,0.045928948845631014,-0.11608922951561626,0.039873799909458024,10.278375675053603,-0.46653620085346814,-1.6520119768503445,-3.8288771796609042,-0.1421477486975451,0.8606317220822827,1.9490643234875598,-4.926421816239113,1.6921049316112056,55.83229979692582,-2.5342320475210034,-8.973755277645019,-20.798521608749038,-0.7721488269785584,4.674965173599271,10.587348339151212,-26.76040149397909,9.191540844228639,5.1631205673758735,-2.1348272219707267,0.581258488003622,-1.3610608118303933,-0.4052110054826219,-0.37701825863890237,2.8982194054625023,-2.6804738192243867,0.30542980735375463,0.00137525101241422,-1.8266354846017317E-4,-1.0852781146786817E-4,-1.6065617689604278E-4,-1.4857914780279213E-5,2.0325578740778048E-5,1.6960940335359725E-4,-2.8614464067001905E-4,7.159803260847385E-5,26.306783304662716,-1.2200247329699132,-2.208064728303428,-3.655459770046075,-0.11874589686132946,0.8216520116155388,2.170918575951913,-5.986011108445265,1.8847105168502654,48.91858689489681,-2.2686880878792777,-4.1059906500207415,-6.797483536122849,-0.22081306584499585,1.5278970013965016,4.036915793525615,-11.131243267982237,3.5046996861042943,0.005153318243549118,-2.3899446926594576E-4,-4.325447210904446E-4,-7.160794728635179E-4,-2.3261505960472656E-5,1.60955988129359E-4,4.252680448669538E-4,-0.0011726184799557198,3.692018510135002E-4,0.21868884415007667,-0.01014209132290148,-0.018355688631670496,-0.03038791412429289,-9.87137143732952E-4,0.006830410492716529,0.018046891884144073,-0.04976183652766781,0.01566763825565931,1.1879212722750174,-0.05509200103306529,-0.09970839197383354,-0.16506763181546855,-0.005362144631795544,0.03710289820316882,0.09803100314028901,-0.2703070857977686,0.08510685966878369,0.10985362909310369,-0.04640928743414623,0.006458427644484689,-0.010802069935161852,-0.002813965315851541,-0.0029922084018960504,0.02683536486539354,-0.027075493123478653,0.0028280537717940246,-0.13282196981590416,-0.07891491116036353,-0.11681952999548406,-0.010803783924649873,0.01477954101273264,0.12332977894402858,-0.20806720961266487,0.05206179232894018,-0.04637681159420473,-0.08393518518518614,-0.13895502645502716,-0.004513888888889067,0.031233465608465558,0.0825231481481482,-0.22754629629629713,0.07164351851851883,-0.046376811594203,-0.08393518518518528,-0.13895502645502547,-0.004513888888888389,0.031233465608465724,0.08252314814814787,-0.22754629629629486,0.07164351851851847,-0.046376811594183436,-0.08393518518517668,-0.13895502645502253,-0.004513888888890419,0.031233465608463518,0.08252314814814725,-0.227546296296293,0.07164351851851262,-0.04637681159420004,-0.08393518518518385,-0.13895502645502567,-0.004513888888888738,0.031233465608465676,0.08252314814814822,-0.22754629629629583,0.07164351851851798,-0.04637681159422058,-0.0839351851851929,-0.1389550264550305,-0.004513888888887702,0.031233465608467587,0.08252314814814908,-0.22754629629629983,0.07164351851852391,-0.42246476349737344,0.058791208791208985,-0.09833148002790904,-0.0256155881155882,-0.027238138845281836,0.2442829161579168,-0.24646880896880974,0.025743835639669022,1.6544453488881092,1.2030028066140126,1.1955763231603576,0.9463821468772827,0.8885955723722158,0.8000700098450896,1.3170033387567723,0.7774696721759806,1.5666666666666695,1.3012037037037063,1.215410052910055,0.9383680555555574,0.8936838624338642,0.8758101851851868,1.2739057239057263,0.7506944444444458,1.566666666666663,1.3012037037037008,1.21541005291005,0.9383680555555534,0.8936838624338603,0.8758101851851833,1.273905723905721,0.7506944444444428,1.566666666666664,1.3012037037037025,1.2154100529100529,0.9383680555555551,0.8936838624338614,0.8758101851851836,1.273905723905723,0.7506944444444431,1.566666666666669,1.3012037037037039,1.215410052910053,0.9383680555555556,0.8936838624338627,0.8758101851851858,1.273905723905724,0.7506944444444453,1.5666666666666687,1.3012037037037048,1.2154100529100536,0.9383680555555561,0.8936838624338631,0.8758101851851859,1.273905723905725,0.7506944444444452,2.033653846153851,0.8166895604395621,1.1077751613465927,0.8936838624338646,0.8308313710099445,0.5912062474562487,1.5448856698856734,0.8226474528557881,133.85690262148708,66.9284513107435,104.18322428549885,133.856902621487,8.923793508099132,66.9284513107435,-8.526512829121202E-14,0.012245260495627464,8.163506997084976E-4,-6.603924472757987,113.51539177905791,7.567692785270527,7.097907657173064,133.85690262148708,66.9284513107435,104.18322428549885,133.856902621487,8.923793508099132,66.9284513107435,-8.526512829121202E-14,0.012245260495627464,8.163506997084976E-4,-6.603924472757987,113.51539177905791,7.567692785270527,7.097907657173064,133.85690262148708,66.9284513107435,104.18322428549885,133.856902621487,8.923793508099132,66.9284513107435,-8.526512829121202E-14,0.012245260495627464,8.163506997084976E-4,-6.603924472757987,113.51539177905791,7.567692785270527,7.097907657173064,133.85690262148708,66.9284513107435,104.18322428549885,133.856902621487,8.923793508099132,66.9284513107435,-8.526512829121202E-14,0.012245260495627464,8.163506997084976E-4,-6.603924472757987,113.51539177905791,7.567692785270527,7.097907657173064,133.85690262148708,66.9284513107435,104.18322428549885,133.856902621487,8.923793508099132,66.9284513107435,-8.526512829121202E-14,0.012245260495627464,8.163506997084976E-4,-6.603924472757987,113.51539177905791,7.567692785270527,7.097907657173064,133.85690262148708,66.9284513107435,104.18322428549885,133.856902621487,8.923793508099132,66.9284513107435,-8.526512829121202E-14,0.012245260495627464,8.163506997084976E-4,-6.603924472757987,113.51539177905791,7.567692785270527,7.097907657173064,163.5056451856014,81.56254481502286,128.1813945563882,163.17583037078649,10.878388691385766,81.56254481502286,-0.38055555555565945,0.00846842988609764,5.645619924065093E-4,-7.157115241566246,110.16589629390518,7.344393086260345,7.052981066708373,0,11.89,12.110264591747015,-0.1647218007569078,0.05614533200608646,5.461011251278554,8.938809368177312,14.0,46.0,46.0,46.0,14.0,0.0,0.0,0.0,0.0,0.0,34.982623999999994,3.598022031719247,3.4847229707098344,3.3336832772304454,2.9750997349399526,2.766760656109898,2.622585037664641,2.3335527931030486,2.202565327040089,1.973897363918674,1.8956955759854361,1.7857171705140873,1.5592092478927972,1.4467168227915026,1.3771494910313937,1.2496297225843562,1.097900314666098,3.6232990414936097,3.5123014773627177,3.363800666510211,3.0154641691333848,2.814956195506062,2.6780533415508945,2.4054545878412896,2.2715136589102047,1.9186295394332284,1.835387279404205,1.7193642503662996,1.47686246248304,1.353593290206568,1.276950996465875,1.1345406859483504,0.9840281447515603,3.7344627028698256,3.6338712587768014,3.4972488123253878,3.1923452456874957,3.0245418658207552,2.915509837596517,2.704236987233521,2.561078887612553,1.7566700409629978,1.6581863725683084,1.5240293533538094,1.2273562327870235,1.0656197009332002,0.9613476275416096,0.7603185604308964,0.6158781479201413,3.6419194365966,3.5326371084554844,3.3860526821311967,3.0452006117307606,2.850393210199945,2.7186324294649107,2.4575399160416946,2.3216577382047188,1.883497214692643,1.7969950282126383,1.6770660535090518,1.4237341962267982,1.2930028953329822,1.2113121783982579,1.0582626705327123,0.9086989422867611,3.788654279357646,3.693208456273799,3.562629465707146,3.27749210779313,3.124170319173499,3.026305747949109,2.8389820851496492,2.6929327538797607,1.7062870768584337,1.6030288912739061,1.4633113351634377,1.1477243950408873,0.9719748075910439,0.856522582140605,0.6313372621875604,0.4900337581917684,3.6233584249333566,3.5442937133816534,3.4218756862844386,3.098402940711136,2.9613044907773163,2.8654074353023224,2.677262157258389,2.4362420354978624,1.8869705652172348,1.7748337564575531,1.6279889923014796,1.3478018731490367,1.165133896723947,1.0460226045215577,0.8405274633808362,0.7642394271952434,0,0,0,0,0,5,7,3,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9855985596534889,0.0,0.0,0.0,0.9855985596534889,0.0,0.0,0.0,1.1897227048854204,0.9855985596534889,0.7163128427270959,1.1897227048854204,0.9855985596534889,0.7163128427270959,11.681798275874712,7.057749310264367,5.874245891192093,3.5691681146562617,2.0377974009767312,1.1877173635181277,1.0191655362052807,0.4440355937288492,0.7787865517249808,0.5041249507331691,0.3671403681995058,0.2549405796183044,0.16981645008139426,0.10797430577437525,0.08493046135044006,0.05550444921610615,11.681798275874712,7.057749310264367,5.874245891192093,3.5691681146562617,2.0377974009767312,1.1877173635181277,1.0191655362052807,0.4440355937288492,0.7787865517249808,0.5041249507331691,0.3671403681995058,0.2549405796183044,0.16981645008139426,0.10797430577437525,0.08493046135044006,0.05550444921610615,23.669244860573947,45.205389657683945,42.607843137254875,43.16000000000002,27.776871856287467,361.7093868263473,0.5036009544802967,0.9618168012273179,0.9065498539841462,0.9182978723404259,0.5909972735380312,7.695944400560581,5.665200000000006,71.15900000000006,66.9284513107435,104.18322428549885,133.856902621487,8.923793508099132,66.9284513107435,0.012245260495627464,8.163506997084976E-4,-6.603924472757987,113.51539177905791,7.567692785270527,7.097907657173064,235,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,7.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0000000000000004,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.762192786970926,0.0,9.961896314463957,0.0,0.0,0.0,2.775910898565119,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.302313386519285,0.0,1.348938862964837,0.0,0.0,0.0,0.8864014975825039,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.427518896447468,0.0,1.4468603552532124,0.0,0.0,0.0,0.9516723356009067,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.499999999999996,1.633333333333333,0.2,2.427518896447468,0.2,0.8864014975825039,11.062663439433244,0.44693183575082934,0.42751889644746793,3.5243855739418515,0.44693183575082934,0.42751889644746793,3.5243855739418515,7.5,0.5,0.0,0.0,0.42766,0.7,0.42766,0.42766,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.33333,0.2,0.0,7.0,0.46667,7.0,0.46667,0.0,0.0,-7.0,-0.46667,0.0,0.0,20.92757,1.39517,20.92757,0.0,0.0,7.05773,0.47052,7.05773,0.0,0.0,0.35627,0.02375,0.35627,0.02375,0.0,14.0,0,0,0,0,0,0,1.0,0.9034535552068336,1.3840353956988394,2.5882887910976122,3.2398231597739944,3.4522484271994514,3.416216650315554,42.46231709472118,65.04966359784545,121.64957318158777,152.27168850937773,162.25567607837422,160.56218256483106,0.16264994211659176,0.24916972842748258,0.4659730648319503,0.5832696615871901,0.6215128642971978,0.6150260157029919,4.651135296470804,4.170553455978798,2.9663000605800254,2.3147656919036432,2.1023404244781863,2.1383722013620834,0.16356357770480456,0.2505693620728084,0.46859052395698275,0.5865459979535991,0.6250040199899983,0.6184807335363385,6.69088082898904,12.45786291489311,16.77299932293031,18.188586104360102,18.202767346180636,17.722057636185543,59.41046020874917,44.14563182758259,38.7600569385923,33.8889131602414,33.38114014424745,35.04312851986477,15.0,9.2421875,10.285714285714286,15,0,12,3.11,2.2221000000000015,1.5701862097112098,8.210288418420197,4.108096840005106,0.0,7.2130129426947445,7.483622312515933,0.0,0.5952753944880748,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.139,0.124,0.010000000000000009,-0.0050000000000000044,6.575,16.0,14.0,12.0,11.0,12.0,8.0,6.0,5.0,5.0,118.0,2.70805020110221,2.833213344056216,2.70805020110221,2.5649493574615367,2.4849066497880004,2.5649493574615367,2.1972245773362196,1.9459101490553132,1.791759469228055,1.791759469228055,4.77912349311153,1.0,0.45454545454545453,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,0.6428571428571429,14.0,1.0,1,6.0,11.0,0.8333333333333334,3.5,1.333333333333334,0.625,0.2400000000000001,0.388888888888889,0.163265306122449,0.09375,0.049382716049382706,0.08000000000000002,0.03305785123966942,0.25,0.08333333333333337,0.044642857142857144,0.020000000000000007,0.035353535353535366,0.01360544217687075,0.01171875,0.008230452674897118,0.016000000000000004,0.006611570247933884,0.4894959409294277,66.9284513107435,104.18322428549885,133.856902621487,8.923793508099132,66.9284513107435,0.012245260495627464,8.163506997084976E-4,-6.603924472757987,113.51539177905791,7.567692785270527,7.097907657173064,0.0,267.99622808880036,4.906890595608519,4.110873864173311,4.795790545596741,5.541263545158426,6.244166900663736,6.9930151229329605,7.701200180857446,8.451694209183541,9.162304922937626,9.913685377512573,91.91399466901638,3.367295829986474,0.0,4.532599493153256,0.0,5.831882477283517,0.0,7.183111701743281,0.0,8.560061091643414,8.855092980028635,212.25040102399998,4.515965979234042,28.309024090217328,1.8872682726811552,0.0,0.0,0.0,484.0,14.0,8.692000000000002,60.0,1.2377826086956518,2.137114154322446,2.8960995187016327,3.5395501738044226,4.477658096245861,5.673775561061338,6.761104746992457,7.520965564714436,9.101218031513117,10.404048309124242,76.24360074282603,79.35772122837423,75.90617540919193,77.49009669462014,99.89665119195425,140.17813545545172,146.10882138848373,115.31441933162293,155.26373538244704,209.03911614471892,285.1453632119914,344.40608738615146,372.3681069829231,394.9135898391257,504.69480475660447,670.1967914387608,797.5941417076423,678.1485612625462,870.0621295528323,1082.394115297979,9.006097031826092,15.22006930404346,20.395441607220373,24.723757293704892,31.287134567151757,39.68154941793643,47.52070091116184,52.088224766047546,63.16290652373217,72.39418386256787,2.1548895640208685,2.822056553985862,3.236244983657017,3.537521201110474,4.505630740321236,5.871659458679153,7.169563897768019,6.473022901087425,8.148546426849817,9.843692808393266,177.32873738899184,329.7856376009141,463.68205454705037,582.2918322288009,735.8643217282801,930.2826961586815,1088.2049729895941,1270.5202887023943,1527.8359145475638,1733.0498233668127,2.412311594202898,3.4550434087590456,4.466915881885864,5.084819825423775,6.391617509881028,8.253882046989439,10.640257181727561,10.278936729974035,12.537525635472111,15.028186940823439,0.4465535869565215,0.5941046687133984,0.6887736297436903,0.7576437680438466,0.9644397776520436,1.253173801038876,1.5338917906812617,1.4019827418700928,1.75922419486832,2.1149786694974853,588.1810193769197,474.5803888625088,14.528536051737632,160.16798188258574,-129.23331529073064,-9.403537722747227,428.01303749433396,603.8137041532394,23.93207377448486,0.785971543206424,0.6341698700255741,0.01941411831549911,0.21402845679357588,-0.17269123774231687,-0.012565711595686832,440.1646784105157,355.15176002260625,10.872415444080575,119.8615492755836,-96.71162242727306,-7.037128063123973,0.03672660157634721,0.08048062582924523,0.4371075972221727,4.6924872578355865,748.3490012595055,0.0,1.0,0.0,869.1419680460992,29.481213815684374,9.54326331746017,1179.127122663304,34.33842050332694,10.564611792567593,1617.9284883151001,40.22348180248821,11.739594804264216,2.985151005384837,2.985151005384837,4070.2075947216276,4017.3308943239813,210.0854515471069,1.0131621471540606,19.374057388305044,19.122365993169144,6.683757163845086,8.108225633110866,14.981119257404517,0.847644593932784,8.924817709951293,13.27936079625935,5.2476257896912095,58.92298855352188,19.550818836451235,14.597085280164402,14.29046129309415,21.211943519994744,40.33815757440997,10.573466705010699,7.015342968967601,31.303522525298817,11.124272973975293,37.51858094254691,5.539297419143805,6.12637581613703,13.657068799667824,10.629984239968499,22.17722825151686,8.102063553036253,5.371503224801386,4.964690882329696,5.829768489451812,6.8423615895061145,6.392835596738662,3.2918107324346817,2.9934431592122794,0.13129501672928556,2.2901557243846753,4.057018452412124E-12,0.7489981060556441,13.27865376378507,0.33725583988891195,17.134133772861794,2.614433914873439,0.43808953639547005,1.416313355166959,1.067012348029967,9.889575780297047,1.1856892135410702,0.15461136601999487,3.7646251581792156,0.6088676761014823,7.697832139034897,0.1650892766964317,0.22540534707300022,2.3018757833129544,0.25387964623352915,5.47585947498728,0.33361104911802897,0.31998460252724137,0.9085220211271249,0.14203105846860148,2.5254832127635862,0.29771511172704346,0.2669714669083323,0.02128268585825729,0.010939892784318185,0.016129754022077263,2.857391268360948E-14,2.417857189499574,13.2787022690188,1.1566655223465894,21.720312717787014,3.766459378679975,1.9325186005998785,3.536275398537212,3.7535153449834686,13.860085438478023,2.51262077354628,0.7805523995127764,7.893045785081303,2.1794632086156502,12.174170862627522,0.730463793869407,0.9013337732191252,3.7382599667495184,1.240096618967417,8.17146340138682,1.301271241331169,1.0898208041016288,1.4812008111134765,0.6872873729582183,3.231864309716952,1.1184070526665382,0.8454641417193345,0.2199128368032158,0.03536722325185172,0.16808447301576407,2.977622007656894E-13,8.424299892278441,13.279283616005507,4.882311964592453,54.969512917065806,17.698534528217007,13.236520851352417,13.322627781814619,19.47438813803953,37.68001847222037,9.790273934142922,6.321348332298884,29.08948816128095,10.276820340046482,35.123159568256064,5.02222413871057,5.578126609770355,12.650083219783314,9.594384812355086,20.90236922670742,7.407840050148194,4.969818385991949,4.626068442424641,5.26374364030409,6.516251958119427,5.869893364735375,3.0928560250292065,2.667134639320979,0.12387753531640497,2.0404875195109144,3.6147304003952208E-12,3.5634766319102393,13.278764015847798,1.7734718253774409,26.039581759424983,5.241706329541738,3.3728165990711476,5.142376629889969,6.020977947051759,17.252212263540528,3.598497206059469,1.4402006038566204,11.170336801348517,3.428601533458837,15.725290758499009,1.276423452375948,1.5222854097940568,4.9860142596326105,2.2531487583937477,10.23376435574425,2.1490504511177497,1.6958705761570234,1.9501223135785943,1.2444123613954403,3.7686703136806226,1.8075180337335162,1.2541437667577604,0.477425046354645,0.05217730446112135,0.36510193595153506,6.467792890218181E-13,10.778009903299193,13.279685046626158,6.673685549604076,75.14506496862238,27.33487723070627,20.195271332468373,18.077934706375277,28.21792053590047,51.08168971354578,13.709990126818449,9.89598276958639,40.10073900503841,14.493302698937434,47.03473194374318,7.667324252934355,8.368615797808152,17.739541336734742,14.918946188190718,27.18405362755853,10.920715014773897,6.963713802353848,6.320993824602126,8.172828389723668,8.120005987546662,8.499145726383642,4.0440923210634026,4.365520980080236,0.1588147323656646,3.33997689157796,5.916780127867774E-12,5.749928111241624,11.61424771535921,2.6569070618916095,35.465967790298585,9.410996152765131,7.078443703791528,7.859764148630073,10.351871081573355,24.113425005812665,6.208181102323359,3.0880039999244575,17.199069433079224,6.228659075788779,21.884899431935413,2.3772820599478326,2.8761335291638876,7.936786401208167,4.725313880649017,14.148934274688006,3.85221580391933,2.5059595576834774,3.2698402542667573,2.5816334618811485,5.737827862653988,3.028246539203782,2.3711313513168926,1.1223563843744109,0.09804610243925067,0.8584507088488998,1.5207482745401554E-12,20.01923200993766,1.145851082672881,0.8479529519354977,0.9094262131505316,0.0520532960721144,0.5631232903792138,0.4693191633087928,0.46873423511644785,22.013036044546038,40.88605335920586,82.35033192003077,0.8641393197257974,1.5011766888044544,18.556741972113212,0.62074604820557,0.37025907411569703,0.9493033587178227,0.03175537545103114,0.48383168677062915,0.1372351650062875,0.08781295269261319,19.54774709443448,18.619663205027813,42.4324335517838,0.923955038076734,0.7088798044695299,19.14929893302682,0.8337216786748833,0.5639661154941482,0.9319760209744498,0.04057634775085415,0.5152217728416074,0.24799342543219913,0.20527188606230676,20.54698672719585,27.23493216211118,56.7857426245465,0.8979640314616746,0.9684870843361133,19.984183341259786,1.1332874642312194,0.8365201018646871,0.9102756499076475,0.05162102275680141,0.5611515527187394,0.4590560252980297,0.45600579635148236,21.953990907355692,40.31301329288197,81.21236462749846,0.8654134748614712,1.4762133743682515,19.408388832988074,0.9267473065471832,0.6485929374922217,0.9249256298412634,0.044165043455587,0.5292619430386099,0.3066188321684796,0.2723463146987888,20.98372907702748,31.175897758437532,63.825655312552904,0.8873884447618952,1.1082270899058781,20.128592752783355,1.185046664215724,0.8836218050098857,0.9068052383338855,0.053387066645894585,0.5692982028698479,0.5020673559888398,0.5095974815929945,22.197261222008965,42.686518230021285,85.9610946254526,0.8602078575008282,1.5809630404516821,20.035834622273075,1.1368868281108253,0.8398789433796565,0.9101984437944677,0.051647093381703306,0.5640594514380494,0.4618241423502626,0.45961805838460895,22.012600393763556,40.560999392489315,81.70476253758059,0.8652976656917015,1.485501652172921 +UMLCN0258,L,"7,8-dimethyltetradecane",CCCCCCC(C)C(C)CCCCCC,Alkanes,,C16H34,NREL (2014),Unknown,PubChem,,40,0,-1.4234000000000009,2.0260675600000027,61.064400000000006,50.83096199999996,0,0,50,16,34,0,16,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2342.7721119999965,2575.602807000001,3032.790448000002,3138.9630880000013,2905.975646,2651.8173489999976,2445.9160439999982,2249.1593149999962,1810.2705679999942,7833.117738640897,10253.798482837583,14114.83655495985,15829.019819403682,15658.518692403612,14429.556815689331,13143.004770855825,12136.206425900695,10679.15325406711,349.07603199999994,355.1072280000003,681.2771200000014,945.6922240000025,1006.1109680000028,1001.2972360000035,877.9461600000026,815.0612600000021,752.1289280000017,59.73923876486606,79.69400653999996,118.98945388667775,140.34294560669494,142.331613180638,133.29801203397668,120.2749670309396,111.25343817154365,100.21906074244973,8315.909866264466,7108.081963588603,14978.00580932167,21999.02361239923,23652.348655240552,24028.422994288296,20885.208971031494,19406.253815992914,17916.364835577435,76.05555555555556,91.77777777777777,148.83333333333331,194.91666666666663,206.66666666666666,197.41666666666666,176.0,164.91666666666663,156.0,46.85544223999993,52.56332259183676,31.59156716666669,23.25157842962964,20.180386430555554,18.415398256944428,19.412032095238082,19.223583888888857,16.761764518518465,156.66235477281793,209.26119352729762,147.02954744749843,117.25199866224949,108.73971314169175,100.20525566450925,104.30956167345893,103.72826005043329,98.88104864876954,6.9815206399999985,7.247086285714292,7.096636666666682,7.005127585185204,6.9868817222222415,6.953453027777802,6.967826666666687,6.966335555555574,6.964156740740756,1.194784775297321,1.6264082967346931,1.2394734779862266,1.039577374864407,0.9884139804210972,0.925680639124838,0.9545632304042826,0.9508840869362705,0.9279542661337937,166.31819732528933,145.06289721609394,156.02089384710072,162.9557304622165,164.25242121694828,166.8640485714465,165.7556267542182,165.86541723070866,165.89226699608736,1.521111111111111,1.8730158730158728,1.550347222222222,1.4438271604938269,1.4351851851851851,1.370949074074074,1.3968253968253967,1.4095441595441591,1.4444444444444444,0.06955017327276099,-0.00751882928337219,-0.02160363221144851,-0.001930033189906713,-0.011475216798187568,0.004855714821585987,4.966853468988003E-4,0.0036263037410218307,-0.010124908361576819,1317.198177919997,-55.98092256160214,-359.51762032640136,-108.47514406399989,-239.03272816959918,104.79473739040121,-6.973402118399237,-7.167107732799311,-249.49283134719894,2449.3862582187403,-104.0989159742972,-668.5383669491164,-201.71416244154273,-444.49156509439837,194.87028907299216,-12.967339014098687,-13.32754287560181,-463.9425736155485,0.25803007999999966,-0.010966278400000067,-0.07042703360000002,-0.021249536000000024,-0.046824870399999885,0.020528569599999925,-0.0013660416000000454,-0.0014039872000000788,-0.048873932799999964,10.94989621915714,-0.46537058931414566,-2.9886775562875645,-0.9017561592247019,-1.9870841080058745,0.8711608609652777,-0.05797003880731261,-0.05958031766307009,-2.074039166216834,59.48001005032516,-2.527900427139746,-16.234543919618964,-4.898353768850601,-10.793872412073782,4.732159623121669,-0.31489417085461735,-0.3236412311561303,-11.266213668355604,4.85333333333333,-1.5329333333333353,-0.8584000000000036,0.5226666666666642,-1.1642666666666572,0.32573333333333226,-0.18373333333333414,0.9765333333333306,-0.46986666666666793,0.0013910034654552198,-1.534454955790243E-4,-2.2503783553592198E-4,-1.4296542147457134E-5,-7.968900554296922E-5,3.3720241816569355E-5,3.941947197609527E-6,3.099404906856266E-5,-9.374915149608166E-5,26.343963558399942,-1.1424678073796355,-3.7449752117333475,-0.8035195856592584,-1.659949501177772,0.7277412318777862,-0.0553444612571368,-0.06125733104956676,-2.3101188087703606,48.98772516437481,-2.124467672944841,-6.963941322386629,-1.4941789810484647,-3.0867469798222107,1.3532658963402233,-0.10291538900078323,-0.11391062286839154,-4.295764570514338,0.005160601599999993,-2.2380160000000138E-4,-7.336149333333335E-4,-1.5740397037037053E-4,-3.251727111111103E-4,1.4255951111111058E-4,-1.084160000000036E-5,-1.1999890598291271E-5,-4.5253641481481446E-4,0.21899792438314278,-0.00949735896559481,-0.031132057877995462,-0.00667967525351631,-0.01379919519448524,0.0060497282011477615,-4.600796730739096E-4,-5.092334842997444E-4,-0.019204066353859576,1.1896002010065032,-0.05158980463550502,-0.16910983249603087,-0.036284101991485934,-0.07495744730606793,0.032862219605011594,-0.0024991600861477567,-0.0027661643688558146,-0.10431679322551485,0.09706666666666659,-0.031284353741496636,-0.008941666666666704,0.0038716049382715866,-0.008085185185185119,0.0022620370370370294,-0.0014582010582010645,0.008346438746438723,-0.004350617283950629,-0.11031280610707013,-0.16178093090679405,-0.01027786235081625,-0.05728886197770197,0.024241666289116014,0.0028338874025159136,0.022281791410504896,-0.06739677781133444,-0.043367346938777265,-0.1421568627450989,-0.03050108932461877,-0.06301062091503261,0.027624591503268354,-0.0021008403361342286,-0.0023252890899947538,-0.08769063180827869,-0.043367346938775815,-0.1421568627450983,-0.030501089324618647,-0.06301062091503233,0.027624591503268143,-0.0021008403361343683,-0.0023252890899949446,-0.08769063180827866,-0.043367346938775836,-0.14215686274509826,-0.03050108932461881,-0.06301062091503261,0.027624591503267907,-0.0021008403361345265,-0.002325289089995106,-0.08769063180827892,-0.043367346938772464,-0.14215686274509656,-0.030501089324618612,-0.06301062091503286,0.027624591503267397,-0.00210084033613482,-0.002325289089995331,-0.08769063180827935,-0.04336734693879141,-0.14215686274510506,-0.030501089324620565,-0.06301062091503308,0.02762459150326921,-0.002100840336134152,-0.002325289089994608,-0.08769063180827806,-0.3222976003588255,-0.09211881868131913,0.039886039886039726,-0.08329517704517643,0.02330395299145293,-0.015022675736961527,0.08598666290973965,-0.04482091982091997,1.6315644691346793,1.3049780308752275,1.0133477708448682,1.0524429839216756,0.8898760916110994,0.945031163253732,0.9341228252296541,1.068750370868782,1.5625000000000047,1.3604856004902002,1.0675381263616592,1.063368055555559,0.9069904003268002,0.9650735294117677,0.9623240321769764,1.0425177015250577,1.5625000000000004,1.3604856004901962,1.0675381263616561,1.0633680555555558,0.9069904003267976,0.9650735294117648,0.9623240321769736,1.0425177015250546,1.5624999999999996,1.3604856004901973,1.067538126361657,1.063368055555557,0.9069904003267981,0.9650735294117653,0.9623240321769737,1.0425177015250546,1.5624999999999971,1.3604856004901917,1.0675381263616524,1.0633680555555525,0.9069904003267945,0.9650735294117618,0.9623240321769706,1.0425177015250515,1.562499999999997,1.3604856004901926,1.067538126361653,1.0633680555555527,0.9069904003267951,0.9650735294117623,0.962324032176971,1.042517701525052,1.9230769230769242,1.016626602564103,0.8662749287749293,1.0867387820512828,0.8413461538461544,0.9348290598290603,0.8629191321499019,1.199697293447294,152.89924670306578,76.44962335153295,116.48859452523985,152.8992467030659,9.556202918941619,76.44962335153295,1.2789769243681803E-13,1.1102230246251565E-16,6.938893903907228E-18,-58.77888091148336,134.87073576454412,8.429420985284008,7.84690689099989,152.89924670306578,76.44962335153295,116.48859452523985,152.8992467030659,9.556202918941619,76.44962335153295,1.2789769243681803E-13,1.1102230246251565E-16,6.938893903907228E-18,-58.77888091148336,134.87073576454412,8.429420985284008,7.84690689099989,152.89924670306578,76.44962335153295,116.48859452523985,152.8992467030659,9.556202918941619,76.44962335153295,1.2789769243681803E-13,1.1102230246251565E-16,6.938893903907228E-18,-58.77888091148336,134.87073576454412,8.429420985284008,7.84690689099989,152.89924670306578,76.44962335153295,116.48859452523985,152.8992467030659,9.556202918941619,76.44962335153295,1.2789769243681803E-13,1.1102230246251565E-16,6.938893903907228E-18,-58.77888091148336,134.87073576454412,8.429420985284008,7.84690689099989,152.89924670306578,76.44962335153295,116.48859452523985,152.8992467030659,9.556202918941619,76.44962335153295,1.2789769243681803E-13,1.1102230246251565E-16,6.938893903907228E-18,-58.77888091148336,134.87073576454412,8.429420985284008,7.84690689099989,152.89924670306578,76.44962335153295,116.48859452523985,152.8992467030659,9.556202918941619,76.44962335153295,1.2789769243681803E-13,1.1102230246251565E-16,6.938893903907228E-18,-58.77888091148336,134.87073576454412,8.429420985284008,7.84690689099989,180.13124658510966,89.91110940366595,138.9498004807195,179.8608472795541,11.24130295497213,89.91110940366595,-0.30902777777777146,4.996003610813204E-16,3.122502256758253E-17,-56.37235707664132,118.87342083751525,7.429588802344703,7.6448947784805075,0,11.890000000000004,12.110287805853517,-0.1705052046304038,0.05001320405680991,5.146737281635661,9.470319037735155,15.0,49.0,49.0,49.0,15.0,0.0,0.0,0.0,0.0,0.0,37.16903799999999,3.621388148149665,3.443242477727492,3.3421086873853882,3.0921012820400207,2.904336482307566,2.706904403843365,2.4018586834600812,2.398281388202142,1.9823524073908079,1.8816609342777553,1.8057923024942557,1.639020448390404,1.5212901683953566,1.4196708320200835,1.217099122598452,1.2158872349527101,3.6452916124306185,3.4733047457514123,3.373746764634236,3.129849443909742,2.9474929700762287,2.7578324742485534,2.4622540240236033,2.4596740903081296,1.928595963775271,1.818519980203758,1.7389169947400591,1.561564386712523,1.43536623982048,1.322835800937008,1.1101179438537383,1.1094551885473887,3.7510823151573804,3.604677754353119,3.5124369038410705,3.295102146143104,3.135783998249192,2.978670381873571,2.7205154409718895,2.7202667817237915,1.772343940641464,1.6307321415478064,1.5400031057889738,1.327820152887766,1.1728753288347076,1.0218120238751007,0.7702132857741418,0.7701189361002139,3.662936432079507,3.4954102119724237,3.3970382083968462,3.1576422747613604,2.9792454557736816,2.795248719923581,2.506442697027944,2.504472475549193,1.8945333443752495,1.7781309146090487,1.6961249279475816,1.511682524819321,1.379745264351076,1.2597028700417379,1.0397849147931275,1.0394144224953556,3.803038197035155,3.6681332419236288,3.5795966959455523,3.3746971407991513,3.22588097835964,3.0832171899600014,2.8405135843507643,2.840511243140765,1.7241668282570428,1.5715241667231545,1.4773830903750702,1.2534168663957481,1.0884229060164288,0.9233906863728658,0.6564652981871398,0.6558939460310819,3.6515387637107524,3.510929944477592,3.439505582517226,3.2235933548164826,3.072099431421777,2.9501389677054344,2.6290411284708814,2.6260762480385598,1.890235220609465,1.7450358635719774,1.6414291583200558,1.4288672316428788,1.267200226420082,1.0966669324053395,0.8899875858400642,0.8845999373934513,0,0,0,0,0,4,10,2,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.47140452079103173,0.0,0.16666666666666666,0.0,0.47140452079103173,0.0,0.16666666666666666,0.0,1.1380711874576983,1.040440114519881,1.1380711874576983,1.1380711874576983,1.040440114519881,1.1380711874576983,12.22576835024473,7.718744015013407,5.653238381134693,3.9974431949644016,2.3552146697763146,1.4987215974822006,0.9284683477238034,0.6481597389607806,0.7641105218902956,0.5145829343342271,0.3533273988209183,0.2498401996852751,0.16822961926973676,0.11528627672940005,0.07737236231031695,0.05892361263279824,12.22576835024473,7.718744015013407,5.653238381134693,3.9974431949644016,2.3552146697763146,1.4987215974822006,0.9284683477238034,0.6481597389607806,0.7641105218902956,0.5145829343342271,0.3533273988209183,0.2498401996852751,0.16822961926973676,0.11528627672940005,0.07737236231031695,0.05892361263279824,25.21107266435981,48.0932265112892,45.33333333333329,45.92000000000002,29.575426347305438,384.7376419161677,0.5042214532871963,0.961864530225784,0.9066666666666658,0.9184000000000004,0.5915085269461088,7.694752838323354,6.199400000000007,75.84600000000007,76.44962335153295,116.48859452523985,152.8992467030659,9.556202918941619,76.44962335153295,1.1102230246251565E-16,6.938893903907228E-18,-58.77888091148336,134.87073576454412,8.429420985284008,7.84690689099989,284,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,10.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.2000000000000006,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.492494327284746,0.0,14.288093352231506,0.0,0.0,0.0,1.8860789871504153,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2914524263029925,0.0,1.3620558286595374,0.0,0.0,0.0,0.9430394935752077,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4547947373393804,0.0,1.4533179012345678,0.0,0.0,0.0,0.9430394935752077,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,25.666666666666668,1.6041666666666667,0.2,2.4547947373393804,0.2,0.9430394935752077,11.789202114701524,0.3902938397581256,0.4547947373393803,2.9849886545694906,0.3902938397581256,0.4547947373393803,2.9849886545694906,8.0,0.5,0.0,0.0,0.428,0.7,0.428,0.428,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.25,0.125,0.0,7.5,0.46875,7.5,0.46875,0.0,0.0,-7.5,-0.46875,0.0,0.0,22.34993,1.39687,22.34993,0.0,0.0,7.71873,0.48242,7.71873,0.0,0.0,0.19527,0.0122,0.19527,0.0122,0.0,15.0,0,0,0,0,0,0,1.0,0.904381457724494,1.3199958387470214,2.5044984515601634,3.3230741894285694,3.124889451733241,2.7232156925345845,45.2190728862247,65.99979193735108,125.22492257800818,166.15370947142847,156.24447258666206,136.16078462672922,0.1602417615393904,0.23388190527223715,0.4437566031710193,0.5887949794768266,0.5536798505594048,0.48250975945637664,4.739474732050231,4.323860351027703,3.139357738214561,2.320782000346155,2.5189667380414833,2.92064049724014,0.16107358756434734,0.23509600235718545,0.44606017427332145,0.5918514547838107,0.5565540408127138,0.48501450086308445,6.693715826846142,11.681088399116472,16.768179541564823,17.92507488097397,15.63467712628677,14.682400479826317,63.36307636776333,49.952206211991474,41.236222670925905,35.94660884645163,42.593202293453395,46.97049996009341,16.0,11.484375,9.953125,16,0,14,3.2199999999999998,2.363,0.8516172966748432,8.635131503594126,2.6425314544110456,0.0,12.173098751088519,6.417688319882853,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.121,0.10400000000000001,0.049000000000000044,0.010000000000000009,7.302,16.0,16.0,14.0,13.0,12.0,11.0,8.0,5.0,4.0,130.0,2.772588722239781,2.833213344056216,2.833213344056216,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.1972245773362196,1.791759469228055,1.6094379124341003,4.875197323201151,1.0,0.46153846153846156,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.0,0.7333333333333333,15.0,1.0,2,7.0,13.0,0.8571428571428571,2.0,1.333333333333334,0.625,0.40000000000000024,0.27777777777777785,0.20408163265306126,0.09375,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.13333333333333333,0.08333333333333337,0.0390625,0.028571428571428588,0.02136752136752137,0.017006802721088437,0.008522727272727272,0.0030864197530864187,0.004000000000000001,0.004132231404958678,0.3529630871504207,76.44962335153295,116.48859452523985,152.8992467030659,9.556202918941619,76.44962335153295,1.1102230246251565E-16,6.938893903907228E-18,-58.77888091148336,134.87073576454412,8.429420985284008,7.84690689099989,0.0,285.2922127146674,5.0,4.143134726391533,4.844187086458591,5.572154032177765,6.300785794663244,7.04141166379481,7.783640596221253,8.532081803909987,9.282195809076612,10.035786936549613,94.5353784492434,3.4339872044851463,0.0,4.553876891600541,0.0,5.8377304471659395,0.0,7.202661196523238,0.0,8.616314282284044,8.901775088607979,226.26605108799998,4.52532102176,30.47022496339661,1.9043890602122882,0.0,0.0,0.0,584.0,16.0,9.322000000000001,62.0,1.2385102040816327,2.1389392624190733,2.8842143110110667,3.5827324218403667,4.613935762575353,5.718398665445908,6.839910224625346,8.014331959068391,9.117777171898501,10.488867076773113,76.60959731308158,76.04094726758386,78.89322426011014,90.4594763023796,103.75069175246733,132.39557452927667,153.6867950745706,154.32917748679196,132.210418404398,148.2421742883926,286.06340116646146,338.44486408250424,368.74744409497015,446.21518423664935,521.1556328627127,662.8689837046412,780.1184644007864,857.2215385682406,820.6435695280103,888.4530091924055,9.012418738040823,15.232645937003497,20.260572861709406,25.17969265056445,32.2369197439606,40.016607987378194,47.838299310213216,55.99066445944357,63.22533852025645,72.42703585602558,2.1602278424289785,2.796681806904509,3.175111455245456,3.9013813581472854,4.645748022118329,5.879877076850624,6.957030171586985,7.855468421715132,7.8997687910757035,8.612486092250391,177.36899011076758,329.89478689757885,466.14329183142627,577.5772807292752,758.5085621643912,935.1876483426327,1120.4700285995468,1316.289266745747,1533.460129292235,1788.7002357928868,2.3784535147392285,3.4064204897659587,4.270705787999423,5.370842562104581,6.567456539999596,8.246072062167418,9.949513588098855,11.864455781902066,12.638394782524813,13.667425597611496,0.4475998469387752,0.5895163705750203,0.6752364241255203,0.8314344406406653,0.9942452679259441,1.2569707115280175,1.4885765459553926,1.6876766233497884,1.7122210400635844,1.871090881331913,649.1051403098232,560.9886624091491,16.127845839871487,186.80498966867458,-161.44608134756874,-11.168729180186492,462.30015064114866,722.4347437567178,27.29657502005798,0.7765250318554222,0.6711112143402059,0.019293755705875156,0.22347496814457765,-0.19313808453514208,-0.013361160224812426,542.5935622060954,468.93610571089556,13.481429712280152,156.15218319457372,-134.9544148437653,-9.336053860704332,0.03456597393136587,0.0754017085170706,0.34333689455526395,4.908553844730772,835.9101299784979,0.0,1.0,0.0,931.2235371922491,30.515955452717666,9.765278826845284,1260.5827639730292,35.50468650717858,10.802487892701938,1715.459994173752,41.4181119098125,11.970901706544058,3.3595930918969072,3.3595930918969072,5259.117155415697,5150.071994910087,193.73854612615497,1.0211735215766657,27.145435229967948,26.582588224630122,6.947052220151961,9.364340826787707,17.451328748131427,0.863593932656746,9.482618816823408,14.22789341122479,5.396571936750534,62.524861738671646,23.60075946479751,8.455581991678214,13.079162452621524,27.883281748610553,45.3538371613237,10.880127129342638,6.063992629150378,43.21920778421536,12.041171402833992,48.01034161929409,6.029089271053911,7.945956930476487,21.445788100581773,5.387560508154236,33.83682673585696,4.599954473431431,1.7591177091442762,8.078949466284577,5.2783085516715875,19.5255164104382,5.795343448964398,2.6880187910885898,2.115773720143784,4.252101000265545,4.5958645249081025,7.251446834168715,0.7958104876842855,14.227129073951943,0.36036715466427016,16.901994501497423,2.146758141827713,0.20274338537965794,1.6611549757839552,1.3883045188460175,11.129444352937032,0.4504020749850952,0.06429431592578488,4.38905236893917,0.6208711225880145,10.18680288413196,0.18104670407883833,0.30565744774629255,2.4792588739088743,0.19285503145232172,6.382208872942798,0.18848333832582342,0.17120678401693484,0.13070351999574098,0.07090233981001239,3.6473832413568936,0.25181388464847093,0.21389678813708551,0.023955776029386835,0.062393340639908944,1.3855818317788064,0.3067681331770978,2.56897326384346,14.227181487149874,1.2242795776311115,21.323315784970212,3.595203490540343,0.9881724365761297,3.8007968633493316,4.9478974237446085,15.804133738626572,1.7579297185461447,0.49458209215418625,10.131179373144855,2.261006226289331,15.92307178000161,0.7985460680805386,1.20151432064271,4.618765035125069,0.793410196600932,10.821399299335452,0.7386244251991821,0.488272247303834,0.7780739044147047,0.4740485688325023,6.183507300432347,0.9674370240221308,0.6307716974060414,0.1776423747977886,0.39543872174591355,2.0408681225412826,1.189146618991978,8.950818635545998,14.227809967263019,5.030211484281381,58.001490169566196,21.250550224662174,7.632259197833711,12.312584778506059,25.60730591617618,42.44100462304986,9.951042160761293,5.415670578020959,40.06944944256809,11.097578844935372,44.99282438535998,5.467232002100135,7.24343133197099,19.6719582889104,4.906884131965178,31.74397790095048,4.20595072934783,1.6594089888523622,7.247428084377951,4.72610076594105,18.30408354914846,5.308830487506326,2.5053716312396443,1.8910303313389054,3.8108860304190797,4.399333018910287,6.636970158028653,3.7861939214047915,14.227248229438661,1.8660484100101924,25.81073609548964,5.459723194772991,1.7943214768156042,5.3263108022104655,7.94033301712294,19.699416101826763,2.899397591641292,1.0258285990254246,14.721425218739997,3.5920772834125083,20.45002674372052,1.393528937193778,2.01355561614178,6.601725738714923,1.3421951346488288,14.214642054750088,1.2203005167877041,0.7080243078289735,1.5119817693016628,0.9467030247107011,8.133788663280027,1.5821879317831669,0.9431156666890672,0.36429125212563085,0.7791050198603091,2.4907018697660908,1.953777359875105,11.451635522255545,14.22824398200192,6.818948487054153,81.23757849365826,33.47974707045192,11.865142940079533,15.994181374504358,37.05273227426178,57.06711348330028,14.650047656780377,8.78351994890424,55.75857907869218,15.812424498097002,59.979903591391256,8.340843729630151,10.81368162507087,28.70917049297697,7.3519772487441575,42.05360894015384,6.199493744311022,2.1311304570996947,11.54934718202163,7.5879096217908435,24.33109037771584,7.7637507149721365,3.399685176824506,3.057674516898026,6.095461748099304,5.3235325723369575,9.74154559179458,6.141551063692469,12.94140894922692,2.923664857874127,35.83385210425724,10.735849148597316,3.980560672542364,7.88450037548146,14.969569703782131,27.443449590414385,5.613879413678819,2.4036928196736214,23.597536772433298,6.831429841963454,28.57020120232455,2.720595902243102,3.9679689304846613,12.133389712871326,2.699236902905154,20.791506286950536,2.182010692196868,1.0276102882335607,3.365613752452762,2.1363801644419924,12.284613831649917,2.7853146361347814,1.461518389523947,0.8547722354959394,1.7343591931839382,3.9960370093890565,3.4641216030289104,24.434503536728002,1.219635882551426,0.621064076282514,0.9299453585908536,0.046417752112079005,0.4949293191842309,0.38332879821913024,0.418608858619416,26.275203495561943,45.7340616869808,90.51771824691339,0.8949180378862803,1.2968669760227771,22.5736441744531,0.6689883599561163,0.18707608936607972,0.9634624372386131,0.028552995288949532,0.4224404530267016,0.11522861912499956,0.03807878585911908,23.429708623775298,19.44964599561041,45.70448515471437,0.9451936558579198,0.5757478580108202,23.326881253818044,0.8919756477824294,0.36277844671826814,0.9489556298138433,0.036286261477043516,0.45108819614698864,0.20494085973291584,0.14305224456556498,24.58163534831874,29.59308930517279,61.7230594283531,0.923433444720765,0.7990813004454694,24.389836743150397,1.2064276066894344,0.6106500350013262,0.9306641898009247,0.04603470629824575,0.493121834555215,0.3750663627742757,0.40471403390787547,26.20691438484116,45.05493209071785,89.22996262294512,0.8959962847013871,1.2729022312373661,23.656536277212222,0.9895239082530051,0.43966027493719056,0.9430279793858761,0.03944570417321518,0.4639229391734371,0.2522570413383225,0.21001425320217113,25.085720460402417,34.24460183001622,69.62220138795664,0.9145419690788141,0.9261942337139307,24.573898089536574,1.2608531048241836,0.6535629261063781,0.9277260144898645,0.047600353087399426,0.5005914095744509,0.40969068107900997,0.4634715520933746,26.488314120467134,47.86871128964193,94.60706858980264,0.8915890217347967,1.3737536427468355,24.44395734798142,1.2122783307633818,0.6124185314985071,0.9305371014572053,0.04614923631263382,0.49531183238003734,0.37853363614951785,0.40661301565855357,26.26865421024331,45.34523398921871,89.7616129374245,0.895805652185808,1.2804584841881086 +UMLCN0259,L,3-ethylpentane,CCC(CC)CC,Alkanes,,C7H16,Marquardt (2015),IQT,PubChem,,34.1,0,-1.0162000000000013,1.0326624400000026,29.2337,22.988687999999986,0,0,23,7,16,0,7,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1026.105871,1059.2981339999997,1168.3476059999982,1180.5403739999972,817.3423469999999,254.50588800000006,27.433728000000002,0.0,0.0,3461.9582231401955,4376.887272424276,5667.785136559583,6040.790069730744,5365.407829413078,3184.273894182832,839.2610996351166,0.0,0.0,160.27903600000002,159.12520800000004,296.6878320000001,377.30939999999987,377.2382519999999,369.98207999999994,181.39852800000006,0.0,0.0,26.63610647758398,34.55010896000002,48.79381829818806,54.12917315637608,51.10990030182908,36.04986215456399,12.004548430923007,0.0,0.0,3846.242925017985,3210.726899946401,6654.7191059405895,8873.730930231577,8857.330192166231,9413.241331705165,4992.776604654723,0.0,0.0,36.52777777777778,43.33333333333333,64.75,77.99999999999999,84.0,72.0,27.0,0.0,0.0,44.613298739130435,48.149915181818166,27.817800142857102,21.861858777777726,15.135969388888887,4.713072000000001,1.016064,0.0,0.0,150.5199227452259,198.9494214738307,134.94726515618055,111.86648277279156,99.35940424839033,58.96803507745985,31.083744430930242,0.0,0.0,6.968653739130436,7.232964000000002,7.063996000000003,6.987211111111109,6.9858935555555535,6.851519999999999,6.718464000000002,0.0,0.0,1.158091585981912,1.570459498181819,1.161757578528287,1.002392095488446,0.946479635219057,0.6675900398993332,0.4446129048490003,0.0,0.0,167.22795326165152,145.94213181574548,158.44569299858546,164.328350559844,164.02463318826355,174.319283920466,184.917652024249,0.0,0.0,1.5881642512077294,1.9696969696969695,1.5416666666666667,1.4444444444444442,1.5555555555555556,1.3333333333333333,1.0,0.0,0.0,0.03252791878311978,-0.006158607152555043,-0.009219332409403964,0.005122329552372432,-0.015191928943093642,-0.005005412307597786,0.0141889918687181,0.0,0.0,589.5388264347827,-58.58770945935663,-129.0760474026461,5.4925977618147925,-357.70542923818505,-57.67227649905591,302.779451620037,0.0,0.0,1096.27262196491,-108.94634752446328,-240.02242188983328,10.213720080418053,-665.16852023725,-107.24406084439387,563.0313194330653,0.0,0.0,0.115486608695652,-0.011476930056708504,-0.02528511153118931,0.0010759621928170975,-0.07007203780718281,-0.01129760302457699,0.059312415879014375,0.0,0.0,4.9008486914386085,-0.4870408637454439,-1.073011902939193,0.04566008097613716,-2.97361277357086,-0.479430850249436,2.5170119638094937,0.0,0.0,26.621487874186396,-2.6456137017825214,-5.828617686739588,0.24802628454210995,-16.152711780804882,-2.6042759876921346,13.6724489353838,0.0,0.0,2.8454106280193265,-1.0912623398445713,-0.8082860743541282,0.9716446124763701,-0.2892249527410217,-1.3979206049149293,1.1923440453686203,0.0,0.0,0.0014142573383965121,-2.7993668875250197E-4,-2.195079145096182E-4,9.485795467356355E-5,-2.813320174646971E-4,-9.269282051107011E-5,5.255182173599296E-4,0.0,0.0,25.63212288846881,-2.6630777026980286,-3.0732392238725263,0.1017147733669406,-6.624174615521945,-1.0680051203528873,11.214053763705074,0.0,0.0,47.664027041952615,-4.952106705657422,-5.714819568805554,0.18914296445218617,-12.317935559949076,-1.9860011267480346,20.85301183085427,0.0,0.0,0.005021156899810956,-5.216786389412956E-4,-6.020264650283169E-4,1.9925225792909214E-5,-0.0012976303297626446,-2.092148708254998E-4,0.002196756143667199,0.0,0.0,0.21308037788863515,-0.02213822107933836,-0.025547902450933163,8.455570551136512E-4,-0.05506690321427518,-0.00887834907869326,0.09322266532627754,0.0,0.0,1.1574559945298433,-0.12025516826284188,-0.1387766115890378,0.004593079343372407,-0.29912429223712744,-0.0482273331054099,0.5063869976068074,0.0,0.0,0.12371350556605767,-0.049602833629298695,-0.01924490653224115,0.01799341874956241,-0.0053560176433522545,-0.025887418609535726,0.04416089056920816,0.0,0.0,-0.19793900385194024,-0.15521073043078337,0.0670726268114074,-0.19892561970629186,-0.06554169315194462,0.37158599293942024,0.0,0.0,-0.10389610389610274,-0.11989795918367309,0.003968253968254003,-0.25843253968253954,-0.041666666666667455,0.43749999999999883,0.0,0.0,-0.10389610389610406,-0.1198979591836737,0.003968253968253827,-0.25843253968253993,-0.04166666666666686,0.43750000000000006,0.0,0.0,-0.10389610389608349,-0.119897959183666,0.00396825396825568,-0.25843253968253804,-0.04166666666667529,0.4374999999999812,0.0,0.0,-0.10389610389610221,-0.11989795918367284,0.003968253968254061,-0.2584325396825393,-0.04166666666666727,0.43749999999999845,0.0,0.0,-0.10389610389610478,-0.11989795918367388,0.003968253968253979,-0.25843253968253993,-0.04166666666666646,0.43750000000000083,0.0,0.0,-0.4009492205587281,-0.15556027164685912,0.1454442558007921,-0.0432937181663838,-0.2092529711375203,0.3569609507640065,0.0,0.0,1.7372801222329821,1.218871993332199,0.8804463229560581,1.2761850051938346,0.8727615161264388,0.0,0.0,0.0,1.6428571428571437,1.2908163265306132,1.0039682539682546,1.2549603174603183,0.7529761904761908,0.0,0.0,0.0,1.6428571428571428,1.290816326530612,1.0039682539682537,1.254960317460317,0.7529761904761905,0.0,0.0,0.0,1.6428571428571432,1.2908163265306123,1.003968253968254,1.2549603174603174,0.7529761904761906,0.0,0.0,0.0,1.6428571428571432,1.2908163265306125,1.0039682539682544,1.2549603174603179,0.7529761904761907,0.0,0.0,0.0,1.642857142857144,1.2908163265306132,1.0039682539682548,1.254960317460318,0.752976190476191,0.0,0.0,0.0,2.0110356536502527,1.0124909046810562,0.6085172608941702,1.1812393887945658,1.28862478777589,0.0,0.0,0.0,28.593895262807393,14.296947631403697,19.53301560890349,28.593895262807393,4.084842180401056,14.296949321239959,0.0,2.220446049250313E-16,3.172065784643304E-17,-25.23055737238201,3000012.383521928,428573.1976459897,10.439888882125155,28.593895262807393,14.296947631403697,19.53301560890349,28.593895262807393,4.084842180401056,14.296949321239959,0.0,2.220446049250313E-16,3.172065784643304E-17,-25.23055737238201,3000012.383521928,428573.1976459897,10.439888882125155,28.593895262807393,14.296947631403697,19.53301560890349,28.593895262807393,4.084842180401056,14.296949321239959,0.0,2.220446049250313E-16,3.172065784643304E-17,-25.23055737238201,3000012.383521928,428573.1976459897,10.439888882125155,28.593895262807393,14.296947631403697,19.53301560890349,28.593895262807393,4.084842180401056,14.296949321239959,0.0,2.220446049250313E-16,3.172065784643304E-17,-25.23055737238201,3000012.383521928,428573.1976459897,10.439888882125155,28.593895262807393,14.296947631403697,19.53301560890349,28.593895262807393,4.084842180401056,14.296949321239959,0.0,2.220446049250313E-16,3.172065784643304E-17,-25.23055737238201,3000012.383521928,428573.1976459897,10.439888882125155,28.593895262807393,14.296947631403697,19.53301560890349,28.593895262807393,4.084842180401056,14.296949321239959,0.0,2.220446049250313E-16,3.172065784643304E-17,-25.23055737238201,3000012.383521928,428573.1976459897,10.439888882125155,35.615500584166014,17.715488387321102,24.482629387187703,35.48369786307758,5.069099694725368,17.715488437817317,-0.18452380952381375,0.0,0.0,0.0,3000009.5072019044,428572.7867431292,10.439888210986267,0,11.889999999999995,12.110094255809829,-0.1690396401152368,0.05139163834193976,5.433519117910732,8.27075352131588,6.0,22.0,22.0,22.0,6.0,0.0,0.0,0.0,0.0,0.0,17.491311999999997,3.526648256855278,2.902564077577707,2.9025640775777064,2.1817270473325032,1.5980269148552018,1.5980269148552002,0.9025870105527255,0.08392307051869173,1.9266882760429165,1.5630263350622524,1.5630263350622522,1.084438741468532,0.7697185163332704,0.7697185163332699,0.34806608567298736,0.08392307051869052,3.55336732425861,2.950308951251465,2.950308951251465,2.25082145607674,1.6953097213903017,1.6953097213903003,1.0319793757821965,0.27091390189293796,1.86772085763422,1.473453683820618,1.4734536838206123,0.9692452565818082,0.6303371850352777,0.6303371850352746,0.18646033622270813,0.2709139018929366,3.671348120419639,3.1555984077028594,3.1555984077028594,2.5420335572392423,2.090117344341693,2.0901173443416914,1.5372092717535344,0.9439184268026228,1.6949878678154566,1.1954927464150664,1.1954927464150646,0.5972919185346348,0.16238615202424087,0.1623861520242404,0.37344411734553834,0.9439184268026217,3.5730792722124782,2.985267979126101,2.9852679791261,2.301138918520685,1.7652768165580877,1.7652768165580874,1.123795184815476,0.3992772455089823,1.830228879626131,1.4151331810518308,1.415133181051829,0.8930655865736952,0.5368571236143953,0.536857123614395,0.07688717282186155,0.39927724550898175,3.729063388314583,3.2522175179205752,3.252217517920575,2.6750510404900343,2.2627761603550876,2.262776160355086,1.749263129324835,1.2076448229620893,1.6413834561849923,1.1044071629954342,1.1044071629954337,0.4704533868435767,0.004703130643947167,0.004703130643947202,0.5813937537853772,1.2076448229620873,3.546267416803773,3.0932652498206092,3.093265249820606,2.4107951779193844,1.8636010821616074,1.863601082161607,1.223645828979763,0.5915492957746487,1.8427628602147017,1.29604623691381,1.2960462369138084,0.7582843699612475,0.40729896830783924,0.407298968307839,0.05414162337444414,0.5915492957746472,0,0,0,0,0,3,3,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.6123724356957946,0.6123724356957946,0.0,0.6123724356957946,0.6123724356957946,0.0,5.698670612749268,3.3460652149512318,2.0907702751760278,1.7320508075688774,0.8660254037844388,0.0,0.0,0.0,0.814095801821324,0.5576775358252053,0.34846171252933794,0.2886751345948129,0.2886751345948129,0.0,0.0,0.0,5.698670612749268,3.3460652149512318,2.0907702751760278,1.7320508075688774,0.8660254037844388,0.0,0.0,0.0,0.814095801821324,0.5576775358252053,0.34846171252933794,0.2886751345948129,0.2886751345948129,0.0,0.0,0.0,11.334622430286998,22.102694828841948,20.80392156862746,21.080000000000002,13.388435928143707,177.48334610778446,0.4928096708820434,0.9609867316887803,0.9045183290707591,0.9165217391304349,0.5821059099192916,7.716667222077585,2.832600000000001,34.362999999999985,14.296947631403697,19.53301560890349,28.593895262807393,4.084842180401056,14.296949321239959,2.220446049250313E-16,3.172065784643304E-17,-25.23055737238201,3000012.383521928,428573.1976459897,10.439888882125155,36,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,3.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.784722222222221,0.0,4.0625,0.0,0.0,0.0,0.9861111111111109,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.261574074074074,0.0,1.3541666666666667,0.0,0.0,0.0,0.9861111111111109,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.261574074074074,0.0,1.3541666666666667,0.0,0.0,0.0,0.9861111111111109,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.833333333333332,1.6904761904761902,0.2,2.261574074074074,0.2,0.9861111111111109,5.308222222222222,0.34722222222222227,0.26157407407407407,1.5694444444444446,0.34722222222222227,0.26157407407407407,1.5694444444444446,3.5,0.5,0.0,0.0,0.42174,0.7,0.42174,0.42174,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.42857,0.14286,0.0,3.0,0.42857,3.0,0.42857,0.0,0.0,-3.0,-0.42857,0.0,0.0,7.12629,1.01804,7.12629,0.0,0.0,3.34606,0.47801,3.34606,0.0,0.0,0.06794,0.00971,0.06794,0.00971,0.0,6.0,0,0,0,0,0,0,1.0,0.8865408928220899,1.3274847819558417,2.195349998594635,2.195349998594635,1.9986733918095476,1.4187012038936961,20.39044053490807,30.53214998498436,50.49304996767661,50.49304996767661,45.969488011619596,32.63012768955501,0.19598292262472913,0.2934600641820215,0.4853144535038542,0.4853144535038542,0.441836192634289,0.3136247978197948,3.637021063234923,3.1960771741011715,2.328211957462378,2.328211957462378,2.5248885642474654,3.104860752163317,0.1988013201316891,0.29768026409641224,0.4922936791809099,0.4922936791809099,0.4481901647412855,0.3181349833832006,6.634953581644547,11.92628025124957,12.800936540980247,12.800936540980247,10.4408172595592,5.6430546784632,27.765075162887893,20.806172767965645,22.976862981937092,22.976862981937092,21.796803341226568,14.700806274087732,7.0,4.166666666666667,2.6666666666666665,7,0,5,2.23,1.0949,0.75,4.326748710922225,1.5000000000000004,0.0,1.5000000000000004,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.103,0.084,0.08800000000000005,0.024999999999999994,3.0389999999999997,6.0,6.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,28.0,1.9459101490553132,1.9459101490553132,1.9459101490553132,1.3862943611198906,0.0,0.0,0.0,0.0,0.0,0.0,3.367295829986474,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.5,6.0,1.0,0,2.0,4.0,1.0,1.5,0.666666666666667,0.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25,0.11111111111111116,0.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.42361111111111116,14.296947631403697,19.53301560890349,28.593895262807393,4.084842180401056,14.296949321239959,2.220446049250313E-16,3.172065784643304E-17,-25.23055737238201,3000012.383521928,428573.1976459897,10.439888882125155,0.0,129.62835108186675,3.807354922057604,3.2188758248682006,3.8918202981106265,4.574710978503383,5.262690188904886,5.953243334287785,6.645090969505644,7.337587743538596,8.030409562130485,8.723394022000136,66.63782292184975,2.5649493574615367,0.0,3.6109179126442243,0.0,4.890349128221754,0.0,6.248042874508429,0.0,7.627057417018934,7.9215356321335495,100.12520051199999,4.353269587478261,12.669197399922218,1.8098853428460313,0.0,0.0,0.0,48.0,6.0,4.2620000000000005,24.0,1.2248181818181816,2.111425560360458,2.865572383348091,3.5209451552998994,4.0340741119022185,4.579342431847298,0.0,0.0,0.0,0.0,69.72220730918178,66.73106956187893,69.18941075715071,57.1904261438355,19.887025731017644,4.652904988672494,0.0,0.0,0.0,0.0,268.7875960232532,308.32153239731934,340.4487016254377,363.11967250644585,244.47456203466427,142.34310981325604,0.0,0.0,0.0,0.0,8.893455721090909,14.970343838581682,20.072271604881635,24.63571180491224,27.67100006259403,30.766147272038523,0.0,0.0,0.0,0.0,2.05977114874909,2.597411394926325,2.9974643607996345,3.4201074666120035,2.745829823465184,2.03603474092191,0.0,0.0,0.0,0.0,176.6115070737156,330.540775652572,467.2340714419828,574.606380844461,700.7109651845981,846.8012503122168,0.0,0.0,0.0,0.0,2.4718181818181817,3.3498743014213503,4.242267584958286,5.5800036979775784,5.457580927195544,4.579342431847298,0.0,0.0,0.0,0.0,0.42791113636363654,0.5495351260145233,0.6399477307527797,0.7372029114631364,0.6089637268431487,0.4689246650211632,0.0,0.0,0.0,0.0,361.4521466676504,142.61995761943223,8.823504746923964,146.86520231527103,-57.949327796447484,-8.551359987295065,214.5869443523794,200.5692854158797,17.37486473421903,0.7110757627904503,0.2805726735567784,0.01735826008020123,0.28892423720954963,-0.11400226239060449,-0.01682287650501257,183.73239697828618,72.49619876916641,4.485140541694613,74.65413029873899,-29.456648680832508,-4.346804638940457,0.075673485209209,0.1645563885533258,1.4313148810735694,9.687743224897925,508.3173489829215,0.0,1.0,0.0,372.4894148768996,19.299984841364502,7.195118958220815,527.4819921855019,22.966976121934334,8.079836002258586,634.4662801762764,25.188614097966493,8.592829249674418,1.6095800388316504,1.2058246599887235,359.6637962593577,291.4446471071207,124.2057762833491,1.2340724039002953,2.895709096804493,2.346466129258366,3.84250079291614,3.2201944036352645,6.424246450394837,0.9949871483356816,4.462409008976715,6.050239668970485,3.745527965015227,21.155519173371797,8.458952726028873,6.744687705404771,7.963091408738034,12.669569775725476,3.3211620460279723,5.620893709707359,0.8568459830705359,1.1267105536669035,8.026179104848394E-15,1.1027773721920957E-50,2.922420801982873E-108,1.4937350086590368E-187,1.4725846652083677E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.37449905411115136,5.693382889113629,0.2508012179322753,7.435072399835958,1.0657998780848261,1.0874111979873557,0.5567490334543194,0.5515874944405497,1.0111143610821502,0.07675821268212661,0.0060359046831442165,0.007935514555285779,5.652903569827095E-17,7.766951201255298E-53,2.058284866093577E-110,1.0520497801654618E-189,1.037153420336769E-290,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2089286060513664,5.717232891321441,0.8514819179565971,9.183071751599119,1.5933481292360534,1.8329142214228444,1.659001123699034,2.1171514371020153,1.262628850693769,0.508038198071436,0.062890392161519,0.08269417997995968,5.890761360915981E-16,8.093761986793297E-52,2.1448915250668306E-109,1.0963169843968191E-188,1.0807938289399416E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.212150083351253,6.011061379571201,3.4917252564286216,19.943175384309097,7.659108672448767,6.253567929203923,7.3647986487452535,11.60650425223207,3.1019083894046053,5.033708709485014,0.7634350802848467,1.0038788185359144,7.15118108276359E-15,9.825547847239097E-51,2.6038243206397363E-108,1.330891000193545E-187,1.3120464249601051E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.781738340505213,5.748151931208776,1.2972837104070862,10.695568027703258,2.246936531258174,2.466198733866794,2.5372636168648492,3.4614584539414768,1.500612816661805,1.0120605374076377,0.13660370660772356,0.1796228090608724,1.2795520838484675E-15,1.7580732577434633E-51,4.658991007066404E-109,2.3813469872513914E-188,2.3476286192921382E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.389005176246292,6.2149781669367306,4.730500969614596,26.067101001111723,11.814680790819109,8.727476086525552,10.342802592737335,16.97033426188256,4.221334529681779,8.076307643399987,1.249625853867799,1.6432014524931788,1.1705427911484995E-14,1.6082971565902106E-50,4.26207608598847E-108,2.1784721265636447E-187,2.147626338383388E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.7652152216616614,5.104273183881638,2.041913819512523,12.621912176937844,3.7180146876284716,3.5945193672208755,4.187284101661826,5.845944666099479,2.4139456227151204,2.136106338282164,0.2998414655016063,0.39427046551644884,2.808605423716043E-15,3.8589551369705567E-51,1.022644375064033E-108,5.2270354201042294E-188,5.153023902851739E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.38672929581411,1.4281111472926513,0.7038937052236477,0.6136786452811289,0.2587751301128901,0.49994213103760626,0.4717061787940015,0.45264114895798785,5.518734148330409,8.22576173977381,17.148966385631272,0.4205179679216933,1.4242894587895956,2.6320810248392195,0.9622279538019597,0.2795393015525891,0.6794486604693676,0.24839071749960984,0.3021578095459075,0.2152391390543773,0.07154840642385457,3.8738482801937684,3.537412560225562,8.119239389852485,0.5191729907040514,0.5889453550241392,2.944634488230855,1.155154754169311,0.45536927427509877,0.6464395206997309,0.25359265762993455,0.3780645021204681,0.3094953607060544,0.18972117528002136,4.555158516675265,5.268426580363409,11.372527567043438,0.46965928104959626,0.8772810381065439,3.3692894337926407,1.4173419390298252,0.6940935509619535,0.6147525155241981,0.2586048303353192,0.4948121265104409,0.4646667854749968,0.44015438914978067,5.48072492378442,8.097805185952598,16.893128898451113,0.42212877328629717,1.3996333011352182,3.078342327041161,1.2376994676165844,0.5305546050248011,0.6351554932947983,0.2553749818527605,0.4131318344771982,0.3549872530754458,0.25743849844760086,4.8465963996825465,6.099958508955616,12.968001197973663,0.45273323994219733,1.0255575860002448,3.4409504585336577,1.4615938271921507,0.7343608974423474,0.6104325594846554,0.2592901210324562,0.5160605287612896,0.4939277183940367,0.49256851603052165,5.636905183168156,8.629508771283252,17.959714617037214,0.4156488392269831,1.502556763185848,3.3827735343761334,1.4193385422756621,0.6949336728129726,0.615380276706903,0.2582002419051832,0.49877358143205625,0.46575381107123737,0.4410695800591681,5.4970457494647675,8.138450239817274,16.972081628207544,0.4230704150603544,1.4055969725624617 +UMLCN0260,L,n-hexane,CCCCCC,Alkanes,,C6H14,NREL (2014),IQT,PubChem,,47.9,0,-1.0493999999999994,1.101240359999999,23.4438,19.895101999999994,0,0,20,6,14,0,6,0,0,0,0,0.0,0.0,0.0,0.0,0.0,879.8096220000002,890.8198369999998,853.5730599999997,675.1054830000003,478.3487540000002,281.5920250000005,84.835296,9.144576,0.0,2976.2738325290047,3723.8971379339105,4529.11061145803,4081.8196662596565,3075.02132130453,2068.2229763493997,1061.4246313942745,279.75369987837234,0.0,139.30159199999997,137.349428,253.93460800000025,311.9820600000001,249.09716000000023,186.21226000000007,123.32735999999997,60.46617599999999,0.0,22.95798066788598,29.53412034000001,40.099703868490046,39.08120729637604,30.05967843697998,21.038149577583987,12.016620718188005,4.001516143641,0.0,3349.6132648794865,2777.687448430601,5725.049994286292,7574.6125756841775,6095.657420645581,4616.702265606985,3137.747110568388,1664.258868218241,0.0,31.0,36.75,55.5,61.25,49.0,37.0,24.0,9.0,0.0,43.99048110000001,46.885254578947354,23.71036277777777,15.002344066666673,13.287465388888895,10.429334259259278,4.713072,1.016064,0.0,148.81369162645024,195.99458620704792,125.80862809605638,90.70710369465904,85.41725892512584,76.6008509759037,58.96803507745969,31.08374443093026,0.0,6.965079599999998,7.228917263157894,7.053739111111118,6.932934666666669,6.9193655555555615,6.896750370370373,6.851519999999998,6.718463999999999,0.0,1.147899033394299,1.5544273863157898,1.1138806630136124,0.8684712732528009,0.8349910676938883,0.7791907250957032,0.6675900398993336,0.444612904849,0.0,167.48066324397433,146.19407623318952,159.02916650795254,168.32472390409282,169.32381724015502,170.9889728002587,174.319283920466,184.917652024249,0.0,1.55,1.9342105263157894,1.5416666666666667,1.3611111111111112,1.3611111111111112,1.3703703703703705,1.3333333333333333,1.0,0.0,0.02898408900511843,-0.0044137882106782675,-0.012762228510615063,-8.591445064442334E-5,3.830022956719491E-5,-2.2715265042194894E-4,-0.0017681162215113407,0.00472685531174464,0.0,508.47723779999967,-59.322344409999474,-213.07617583999962,-18.159901350000084,-19.370561440000074,-20.581221530000136,-21.791881620000197,98.06346728999975,0.0,945.5351364447346,-110.312432585219,-396.22424765303174,-33.76911201588315,-36.020386150275456,-38.27166028466782,-40.52293441906012,182.3532048857703,0.0,0.09960719999999997,-0.011620839999997913,-0.04174015999999857,-0.0035574000000005053,-0.0037945600000006026,-0.004031720000000693,-0.00426888000000079,0.01920995999999909,0.0,4.226981996365799,-0.4931478995760045,-1.7713067413342376,-0.15096364272735285,-0.1610278855758429,-0.17109212842433252,-0.18115637127282214,0.8152036707276876,0.0,22.961033291485773,-2.678787217339912,-9.62176633167017,-0.8200369032673767,-0.8747060301518694,-0.9293751570363622,-0.9840442839208559,4.428199277643645,0.0,2.200000000000001,-0.6899999999999997,-0.6599999999999995,0.05000000000000038,0.04000000000000015,0.2799999999999999,-0.47999999999999937,0.3599999999999998,0.0,0.0014492044502559215,-2.3230464266727724E-4,-3.545063475170851E-4,-1.9092100143205185E-6,1.063895265755414E-6,-8.413061126738849E-6,-9.822867897285226E-5,5.252061457494045E-4,0.0,25.423861889999984,-3.122228653157867,-5.9187826622222115,-0.4035533633333352,-0.5380711511111131,-0.7622674640740791,-1.2106600900000108,10.895940809999972,0.0,47.27675682223673,-5.805917504485211,-11.006229101473103,-0.7504247114640701,-1.000566281952096,-1.4174688994321414,-2.251274134392229,20.261467209530036,0.0,0.004980359999999998,-6.11623157894627E-4,-0.0011594488888888492,-7.905333333334456E-5,-1.0540444444446118E-4,-1.4932296296298864E-4,-2.371600000000439E-4,0.002134439999999899,0.0,0.21134909981828995,-0.025955152609263395,-0.04920296503706215,-0.0033547476161633967,-0.004472996821551192,-0.006336745497197501,-0.01006424284849012,0.09057818563640974,0.0,1.1480516645742886,-0.14098880091262694,-0.267271286990838,-0.018223042294830592,-0.024297389726440816,-0.034421302112457856,-0.05466912688449199,0.492022141960405,0.0,0.11000000000000006,-0.0363157894736842,-0.01833333333333332,0.0011111111111111196,0.0011111111111111152,0.010370370370370367,-0.02666666666666663,0.03999999999999998,0.0,-0.1602980467153917,-0.2446213489438852,-0.0013174193703196003,7.34123653544906E-4,-0.0058052962266663954,-0.06778110497487475,0.36240997304186856,0.0,-0.12280701754385864,-0.23280423280423254,-0.015873015873015955,-0.021164021164021257,-0.029982363315696866,-0.047619047619048074,0.42857142857142777,0.0,-0.12280701754385963,-0.23280423280423285,-0.015873015873015768,-0.021164021164021076,-0.02998236331569664,-0.0476190476190477,0.42857142857142877,0.0,-0.12280701754383765,-0.23280423280422494,-0.015873015873018134,-0.021164021164024535,-0.029982363315701817,-0.04761904761905645,0.42857142857140845,0.0,-0.12280701754385831,-0.23280423280423254,-0.015873015873016177,-0.02116402116402155,-0.0299823633156971,-0.0476190476190482,0.42857142857142744,0.0,-0.1228070175438553,-0.23280423280423135,-0.015873015873016406,-0.0211640211640219,-0.02998236331569772,-0.047619047619049414,0.4285714285714247,0.0,-0.3301435406698562,-0.16666666666666646,0.010101010101010173,0.010101010101010133,0.0942760942760942,-0.24242424242424196,0.36363636363636326,0.0,1.7034123058603632,1.346838171764126,0.8781905716566263,0.8670689701230565,0.8561700171890682,0.8499634940034108,0.0,0.0,1.6666666666666685,1.382275132275134,0.9047619047619059,0.8796296296296306,0.8377425044091718,0.7539682539682545,0.0,0.0,1.6666666666666674,1.3822751322751325,0.9047619047619051,0.8796296296296301,0.8377425044091716,0.7539682539682545,0.0,0.0,1.666666666666665,1.3822751322751308,0.9047619047619038,0.8796296296296289,0.8377425044091704,0.7539682539682535,0.0,0.0,1.6666666666666674,1.382275132275133,0.9047619047619051,0.8796296296296301,0.8377425044091714,0.7539682539682542,0.0,0.0,1.666666666666667,1.3822751322751332,0.9047619047619051,0.8796296296296299,0.8377425044091711,0.7539682539682541,0.0,0.0,1.931818181818181,1.079545454545454,0.7676767676767673,0.8396464646464642,0.8796296296296293,1.4393939393939386,0.0,0.0,24.218623007825972,12.109311503912984,19.57341311905074,24.21862300782597,4.036437167970995,12.109325540282487,-3.552713678800501E-15,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,18.981177982793387,3.1635296637988977,1.7660687134087372,24.218623007825972,12.109311503912984,19.57341311905074,24.21862300782597,4.036437167970995,12.109325540282487,-3.552713678800501E-15,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,18.981177982793387,3.1635296637988977,1.7660687134087372,24.218623007825972,12.109311503912984,19.57341311905074,24.21862300782597,4.036437167970995,12.109325540282487,-3.552713678800501E-15,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,18.981177982793387,3.1635296637988977,1.7660687134087372,24.218623007825972,12.109311503912984,19.57341311905074,24.21862300782597,4.036437167970995,12.109325540282487,-3.552713678800501E-15,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,18.981177982793387,3.1635296637988977,1.7660687134087372,24.218623007825972,12.109311503912984,19.57341311905074,24.21862300782597,4.036437167970995,12.109325540282487,-3.552713678800501E-15,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,18.981177982793387,3.1635296637988977,1.7660687134087372,24.218623007825972,12.109311503912984,19.57341311905074,24.21862300782597,4.036437167970995,12.109325540282487,-3.552713678800501E-15,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,18.981177982793387,3.1635296637988977,1.7660687134087372,27.715327549299992,13.802108219094443,22.59542026840772,27.641253475225923,4.60687557920432,13.802110633565853,-0.11111111111110539,1.1102230246251565E-16,1.850371707708594E-17,-22.042080341806265,17.928979033819495,2.988163172303249,1.7318510065272994,0,11.890000000000002,12.110074714184961,-0.17050516517660744,0.049778506478847545,5.038149357369628,6.699886583200144,5.0,19.0,19.0,19.0,5.0,0.0,0.0,0.0,0.0,0.0,15.304897999999996,3.4362813236063636,3.053015045728831,2.504096254671882,1.9163581669822103,1.4339176100690307,1.146847431048758,0.0839230705186914,0.08392307051869127,1.8885481194326286,1.6479514512956175,1.2992632137234361,0.9416804423728858,0.6766400990476609,0.5328940831227027,0.08392307051869091,0.08392307051869109,3.4675218271732473,3.0951775837423834,2.5633483219300044,1.997662591812398,1.5390362015700192,1.2699407919525683,0.27091390189293735,0.2709139018929373,1.8238697719669978,1.5656205701943602,1.1949897065268074,0.8148975089887308,0.5311797833347293,0.37664656581136424,0.2709139018929368,0.2709139018929369,3.6036695659032105,3.2777649689279165,2.8155968631873507,2.335009351193633,1.961838324877489,1.7521671712198927,0.9439184268026224,0.9439184268026223,1.6305941755893394,1.3135315029842585,0.8640130970254473,0.3980395559614041,0.038578938318780724,0.1622215853854782,0.9439184268026214,0.9439184268026217,3.4904742128361614,3.1261134730244704,2.606620839065498,2.0565757089266103,1.614413172337138,1.3573643622746472,0.3992772455089824,0.39927724550898236,1.7824168896954302,1.5123012662988466,1.1264815926876948,0.7304955186690432,0.4333233253156567,0.2708797027439644,0.3992772455089816,0.3992772455089818,3.669198441521408,3.364561497192388,2.932470727648535,2.48622529743368,2.1448663092602476,1.955528839838136,1.2076448229620886,1.2076448229620882,1.5693710735951338,1.2320136650298235,0.7531580190222571,0.25290153290871376,0.13914792703944767,0.3613141883946038,1.2076448229620862,1.2076448229620869,3.493977398897276,3.2133341554990857,2.722251256774822,2.1610207105454977,1.7184286644835325,1.4738043173094395,0.6000000000000002,0.5999999999999999,1.7626090211448098,1.413761130682045,0.9886534967200564,0.5948694711491502,0.29689666548915983,0.12602671832443593,0.5999999999999988,0.5999999999999992,0,0,0,0,0,2,4,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.82842712474619,2.914213562373095,1.7071067811865475,0.9571067811865475,0.5,0.25,0.0,0.0,0.8047378541243649,0.5828427124746189,0.42677669529663687,0.31903559372884915,0.25,0.25,0.0,0.0,4.82842712474619,2.914213562373095,1.7071067811865475,0.9571067811865475,0.5,0.25,0.0,0.0,0.8047378541243649,0.5828427124746189,0.42677669529663687,0.31903559372884915,0.25,0.25,0.0,0.0,9.792794626501124,19.214857975236704,18.078431372549026,18.320000000000004,11.589881437125744,154.4550910179641,0.48963973132505617,0.9607428987618352,0.9039215686274513,0.9160000000000001,0.5794940718562872,7.7227545508982045,2.5866000000000007,29.81599999999998,12.109311503912984,19.57341311905074,24.21862300782597,4.036437167970995,12.109325540282487,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,18.981177982793387,3.1635296637988977,1.7660687134087372,38,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.463611111111111,0.0,5.536388888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2318055555555554,0.0,1.355,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2318055555555554,0.0,1.4131944444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,1.6666666666666667,0.2,2.2318055555555554,0.2,1.355,4.596819444444444,0.145,0.23180555555555554,0.9272222222222222,0.145,0.23180555555555554,0.9272222222222222,3.0,0.5,0.0,0.0,0.42,0.7,0.42,0.42,0.7,-0.0,0.0,0.0,0.0,0.71429,0.0,0.0,0.33333,0.0,0.0,2.5,0.41667,2.5,0.41667,0.0,0.0,-2.5,-0.41667,0.0,0.0,5.31294,0.88549,5.31294,0.0,0.0,2.91421,0.4857,2.91421,0.0,0.0,-2.1E-4,-4.0E-5,-2.1E-4,-4.0E-5,0.0,5.0,0,0,0,0,0,0,1.0,0.8812908992306927,1.1567796494470395,2.0464393446710156,2.246439344671016,1.7609640474436812,1.628771237954945,17.625817984613853,23.13559298894079,40.92878689342031,44.928786893420316,35.219280948873624,32.5754247590989,0.20391151353795506,0.26765360830862855,0.4735014789098081,0.5197771215417599,0.4074487147360963,0.3768621786840241,3.44063719565667,3.165148445440323,2.275488750216347,2.075488750216347,2.5609640474436812,2.6931568569324176,0.20746373294780487,0.2723162402809683,0.48175006239973905,0.5288318450730668,0.4145466328864342,0.3834272672498078,6.6160959460597875,9.92196094865595,13.017017253064164,11.020147265864164,10.530873108900817,8.944559395035983,23.802045510726657,20.174385663055805,19.315649114733237,21.97319159064313,21.989111045234065,14.83016990363956,6.0,5.0,5.333333333333333,6,0,6,2.12,0.954000000000001,0.19999999999999996,3.6144080144393795,0.0,0.0,3.965406456500188,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.08499999999999999,0.064,0.12700000000000003,0.04000000000000001,2.768,4.0,3.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,21.0,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,0.0,0.0,0.0,0.0,3.091042453358316,1.0,0.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.6,5.0,1.0,0,3.0,5.0,0.6666666666666666,0.5,0.22222222222222232,0.125,0.08000000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.05555555555555558,0.041666666666666664,0.04000000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.23722222222222225,12.109311503912984,19.57341311905074,24.21862300782597,4.036437167970995,12.109325540282487,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,18.981177982793387,3.1635296637988977,1.7660687134087372,0.0,112.33236645600009,3.584962500721156,2.9444389791664403,3.4965075614664802,4.07753744390572,4.653960350157523,5.241747015059643,5.82600010738045,6.415096959171596,7.002155954403621,7.591357046698551,58.24880141741002,2.3978952727983707,0.0,3.295836866004329,0.0,4.343805421853684,0.0,5.459585514144159,0.0,6.608000625296087,6.996681488176539,86.109550448,4.3054775223999995,10.839150429449553,1.8065250715749255,0.0,0.0,0.0,35.0,3.0,3.7539999999999996,18.0,1.220894736842105,2.104070295730265,2.8340502509522767,3.5568205442158782,4.881273756029031,5.848797400006069,7.058444873210634,0.0,0.0,0.0,67.74862771742103,56.37357055801633,51.90472242881503,61.300049909791966,59.84703513645126,30.60323553682949,7.171831731653891,0.0,0.0,0.0,263.8372191108719,284.3497531159506,282.0632148897699,355.5308871203589,405.7006725785332,367.801600972178,219.40289651868932,0.0,0.0,0.0,8.85936690336842,14.890576265133035,19.697607099967982,24.775006759672756,33.76222333960462,40.182470110137075,47.421907776650215,0.0,0.0,0.0,2.0309853125484203,2.466953735972347,2.608308709516055,3.3209682695678273,4.016553242157023,4.087795124825739,3.1382756787947113,0.0,0.0,0.0,176.39445053093462,331.01746974789825,473.6018424159165,589.7652506630498,827.2748870036752,1010.8506398871828,1305.2310528967084,0.0,0.0,0.0,2.4279078947368418,3.3338995721218896,3.962337209233818,5.154990984267041,6.929041592528886,8.072260540595229,7.058444873210634,0.0,0.0,0.0,0.42226934210526323,0.5243660319135673,0.5618913476850131,0.7159347017004635,0.8744785083148098,0.90486538190569,0.722784755016769,0.0,0.0,0.0,371.6725329679414,129.22542325493717,9.068523387670478,158.7213439154546,-55.18522631543567,-9.513656563323241,212.95118905248677,184.41064957037284,18.58217995099372,0.7007481593714765,0.24364048848804223,0.017097715081021075,0.29925184062852317,-0.10404574547448595,-0.017936965296857604,197.13283569193828,68.54037323208391,4.809889277194293,84.18482894346081,-29.269906132131542,-5.045985187958181,0.07590715043112767,0.1874272471969796,1.5767891254078763,12.448833769336847,530.3938768833962,0.0,1.0,0.0,310.4078457307497,17.618395095205173,6.770866171770718,446.0263508757768,21.119335947793832,7.64047171687309,448.23141277760277,21.171476395792588,7.653041994539601,2.5170990059872302,2.5170990059872302,439.289369014984,422.95053300243654,36.39746535273491,1.0386306074532203,12.069229677334544,11.620329297755784,3.714891546144979,4.466158665423345,7.636289769507168,0.7098115722190376,3.904607748102192,4.742666666513614,2.113749515746081,15.954539128953536,7.517123650460217,0.14349881376013995,2.7729332806303093,8.479263224798073,4.128385498844444,1.1481386202026025,2.1887246671805083,0.0739379177262493,1.5448121141540434,1.2676776947548,3.597159703075308E-6,7.995820946993893E-33,3.428011782949732E-81,2.8346370330024104E-151,4.5209375932365845E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.32768667139785734,4.74237667240033,0.1410124674107338,4.095646350358876,0.05582652363893367,0.001179269283205287,0.40041039691607627,0.3340572826441072,2.006488095208464,0.04515631807354465,0.017870597194709167,0.008212693913326357,0.12788021924852108,0.008928357656186419,2.5335089911548482E-8,5.631522071025826E-35,2.414376727967612E-83,1.9964580398341465E-153,3.1841333124917024E-245,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0578125204045739,4.74239660159955,0.479177174173526,5.015209274517657,0.5591208348770543,0.010889559479184205,0.8846539710754284,1.3271551117965754,2.3457979343799567,0.17950657984293625,0.16628830169150857,0.012653829063230754,0.41397604847677755,0.09304037057739807,2.640111703353308E-7,5.868480190642837E-34,2.5159666999664363E-82,2.0804632052311433E-152,3.3181124095851594E-244,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.6856312028703186,4.742635022702692,1.9701574112272737,14.697510323769642,6.69960682132184,0.12794420422602887,2.6276753587356336,7.743768261136196,3.965295941897401,1.0484956529103093,1.9515714769054564,0.06673928525295372,1.4569612054252172,1.12947800333732,3.2050045338226384E-6,7.124132510669613E-33,3.0542967822525127E-81,2.525610562896957E-151,4.028074002681864E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5590210264592386,4.742421940896537,0.7304718837896057,6.092165062535013,1.20739124222516,0.023297864018628024,1.2170835619764937,2.207677714913583,2.6065790156814312,0.29869182935464045,0.355674901328643,0.01836732833749186,0.6113012809731717,0.20209611756506735,5.734675408907019E-7,1.2747123159293762E-33,5.465015872472587E-82,4.519044087044184E-152,7.207383541790543E-244,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.715379332691898,4.742799601011807,2.6713197456240034,21.211702367986668,10.953615456019824,0.2088590054965482,3.310773620062111,11.471396880143018,4.769915790929978,1.5535405962684097,3.1851699775428983,0.10419616653381668,1.8713418037266687,1.8487887794562339,5.2461193602085865E-6,1.1661153391361632E-32,4.999433015493015E-81,4.134051708987146E-151,6.593362594909712E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.409700781687911,4.353605973007621,1.103144190388719,8.231159649865297,2.7132823906719117,0.051975438792535064,1.711691777088569,3.6948442830003585,3.395844780511678,0.5001221118686551,0.797985751101633,0.035092097229692906,1.103999158696738,0.4563639701117284,1.2949774931071108E-6,2.8784955409178015E-33,1.2340842418619034E-81,1.0204693318808678E-151,1.6275375335651705E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.6729336149435365,0.7311540874046063,0.49757221499999993,0.8219665533915896,0.10593887501856815,0.5589612066412236,0.5569577304890934,0.5999793399101285,6.901659917348143,7.334284703252582,16.299768981724608,0.7329498300873846,1.7158982770404456,4.795134676612806,0.3061355747940109,0.11639926494464953,0.9190184739730077,0.05867285649936694,0.39987113474319935,0.0970725067332841,0.03283405563130768,5.217669516351466,2.0617454179873156,7.45028455184113,0.8785277109595115,0.5297776971077911,5.160908205950014,0.48348140405115747,0.27530288417234783,0.8718203202327922,0.0816733984961256,0.4629149072216216,0.24286279177487594,0.18367310872211587,5.919692494173519,4.0491198846176095,10.65574900136848,0.8077304803491883,0.8894508077186134,5.652853216777336,0.7214526216942065,0.48885876024562247,0.8236511212092953,0.10511952778009398,0.5550230148013774,0.5422320068708384,0.5791497300446495,6.863164598717165,7.194401022918169,16.051261571521234,0.735476681813943,1.6764047517168652,5.3164249022610806,0.5587745063378566,0.3428322619601749,0.8550012582652283,0.08986356711296918,0.491124773618908,0.324723371012789,0.2848311100170275,6.218031670559112,4.984890602960278,12.221368143209736,0.7825018873978424,1.1006792546487245,5.7353025673566425,0.7612807693360699,0.5246342057531073,0.8168529934708115,0.10842574877275203,0.5712824040710254,0.6039441846673149,0.6670175484275288,7.02121754244582,7.774505389807055,17.08636797455296,0.7252794902062174,1.8422441371658689,5.675684185053772,0.7219985538125249,0.489837931865285,0.8240533068993184,0.10482706162765466,0.5594885695253825,0.5431497123869029,0.5814720977947233,6.887520670731582,7.23166345504194,16.12645952619101,0.7360799603489777,1.6841103797070085 +UMLCN0261,L,n-heptane,CCCCCCC,Alkanes,,C7H16,Marquardt (2015),IQT,PubChem,,52.8,0,-1.3373999999999997,1.788638759999999,26.3554,22.988687999999986,0,0,23,7,16,0,7,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1026.105871,1059.2981339999997,1047.2815969999983,871.8622120000002,675.1054830000003,478.3487540000002,281.5920250000005,84.835296,9.144576,3461.9582231401955,4376.8872724242765,5442.657723120361,5088.6180112147695,4081.8196662596565,3075.02132130453,2068.2229763493997,1061.4246313942745,279.75369987837234,160.27903600000002,159.12520800000004,296.6641160000001,374.86695999999995,311.9820600000001,249.09716000000023,186.21226000000007,123.32735999999997,60.46617599999999,26.63610647758398,34.55010896000001,47.78739401333905,48.102736155772085,39.08120729637604,30.05967843697998,21.038149577583987,12.016620718188005,4.001516143641,3846.242925017985,3210.726899946401,6649.25219325214,9053.567730722774,7574.6125756841775,6095.657420645581,4616.702265606985,3137.747110568388,1664.258868218241,35.25,42.0,64.75,73.5,61.25,49.0,37.0,24.0,9.0,44.613298739130435,48.149915181818166,24.93527611904758,16.145596518518524,15.002344066666673,13.287465388888895,10.429334259259278,4.713072,1.016064,150.5199227452259,198.94942147383074,129.58708864572287,94.23366687434758,90.70710369465904,85.41725892512584,76.6008509759037,58.96803507745969,31.08374443093026,6.968653739130436,7.232964000000002,7.063431333333336,6.94198074074074,6.932934666666669,6.9193655555555615,6.896750370370373,6.851519999999998,6.718463999999999,1.158091585981912,1.5704594981818187,1.1377950955556917,0.8907914102920756,0.8684712732528009,0.8349910676938883,0.7791907250957032,0.6675900398993336,0.444612904849,167.22795326165152,145.94213181574548,158.31552841076524,167.65866168005138,168.32472390409282,169.32381724015502,170.9889728002587,174.319283920466,184.917652024249,1.5326086956521738,1.9090909090909092,1.5416666666666667,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3703703703703705,1.3333333333333333,1.0,0.03316543677914252,-0.004413881012803584,-0.01485432004157907,-9.763459273142891E-5,1.0412897046278846E-5,4.109344823796592E-5,-2.2712817797470816E-4,-0.0017681162215113407,0.004726855311744638,589.5388264347827,-58.587709459356645,-250.14205640264623,-15.562360325142059,-16.477793285444456,-17.393226245746895,-18.308659206049335,-19.224092166351802,100.92648387334572,1096.27262196491,-108.94634752446325,-465.1498353290559,-28.938873561185897,-30.641160241255516,-32.343446921325196,-34.045733601394815,-35.748020281464434,187.67710647768848,0.115486608695652,-0.011476930056708506,-0.04900111153118929,-0.0030485595463142887,-0.0032278865784504574,-0.003407213610586633,-0.0035865406427228017,-0.0037658676748589808,0.019770805293004803,4.9008486914386085,-0.4870408637454437,-2.079436187788192,-0.12937022943238707,-0.13698024292841016,-0.14459025642443324,-0.15220026992045632,-0.15981028341647918,0.8390039879364979,26.621487874186396,-2.6456137017825228,-11.295530375188584,-0.7027411395359733,-0.7440788536263232,-0.7854165677166713,-0.8267542818070213,-0.8680919958973721,4.55748297846127,2.369565217391306,-0.6795841209829867,-0.7509451795841213,0.045368620037806576,0.03780718336483886,0.030245746691871148,0.27268431001890336,-0.48487712665406446,0.34451795841209815,0.0014419755121366314,-2.0063095512743565E-4,-3.536742867042636E-4,-1.8080480135449798E-6,2.3139771213952992E-7,1.141484673276831E-6,-8.412154739804005E-6,-9.822867897285226E-5,5.252061457494043E-4,25.63212288846881,-2.6630777026980295,-5.955763247682053,-0.2881918578730011,-0.3661731841209879,-0.4831451734929693,-0.6780984891129384,-1.068005120352878,11.21405376370508,47.664027041952615,-4.95210670565742,-11.074996079263236,-0.535905065947887,-0.6809146720279003,-0.8984290811479221,-1.260953096347956,-1.9860011267480242,20.853011830854275,0.005021156899810956,-5.216786389412957E-4,-0.001166693131694983,-5.645480641322757E-5,-7.173081285445461E-5,-9.464482251629536E-5,-1.3283483861936302E-4,-2.0921487082549894E-4,0.0021967561436672003,0.21308037788863515,-0.02213822107933835,-0.04951038542352838,-0.0023957449894886494,-0.0030440053984091145,-0.004016396011789812,-0.005637047034090975,-0.008878349078693289,0.09322266532627754,1.1574559945298433,-0.12025516826284194,-0.268941199409252,-0.013013724806221727,-0.016535085636140517,-0.02181712688101865,-0.0306205289558156,-0.04822733310540956,0.5063869976068077,0.10302457466918721,-0.030890187317408488,-0.01787964713295527,8.401596303297514E-4,8.401596303297525E-4,8.401596303297541E-4,0.010099418889589014,-0.026937618147448026,0.038279773156899795,-0.13913617356105648,-0.2452706607896625,-0.0012538687365542876,1.6047270580667414E-4,7.916116908153653E-4,-0.005833770871281571,-0.0681209064551332,0.3642268133743726,-0.10389610389610278,-0.23235544217687046,-0.011243386243386447,-0.014285714285714478,-0.01884920634920657,-0.026455026455026724,-0.041666666666667095,0.437499999999999,-0.10389610389610401,-0.232355442176871,-0.011243386243386392,-0.014285714285714408,-0.01884920634920647,-0.026455026455026523,-0.04166666666666664,0.4375000000000001,-0.10389610389608352,-0.23235544217686332,-0.011243386243388064,-0.01428571428571675,-0.018849206349209818,-0.026455026455031543,-0.041666666666675116,0.43749999999998146,-0.10389610389610218,-0.23235544217687004,-0.01124338624338637,-0.014285714285714478,-0.018849206349206643,-0.026455026455026915,-0.04166666666666741,0.43749999999999845,-0.10389610389610483,-0.23235544217687124,-0.011243386243386196,-0.014285714285714199,-0.018849206349206157,-0.026455026455026145,-0.04166666666666617,0.4375000000000011,-0.29983319432860694,-0.17354740061162077,0.008154943934760335,0.008154943934760345,0.00815494393476036,0.09802922188243275,-0.2614678899082568,0.37155963302752254,1.6777696971867844,1.366325957901146,0.8947798916237643,0.887272768832844,0.8773454825937903,0.8663685970884646,0.8600887883397887,0.0,1.6428571428571437,1.3983843537414975,0.9203042328042333,0.9035714285714289,0.8784722222222225,0.8366402116402117,0.7529761904761905,0.0,1.6428571428571428,1.3983843537414964,0.9203042328042327,0.9035714285714285,0.8784722222222223,0.8366402116402119,0.7529761904761907,0.0,1.6428571428571432,1.3983843537414968,0.9203042328042329,0.9035714285714287,0.8784722222222224,0.8366402116402119,0.7529761904761908,0.0,1.6428571428571432,1.3983843537414968,0.9203042328042331,0.9035714285714287,0.8784722222222224,0.836640211640212,0.7529761904761906,0.0,1.642857142857144,1.3983843537414975,0.9203042328042337,0.9035714285714291,0.8784722222222227,0.836640211640212,0.7529761904761908,0.0,1.899082568807338,1.10528615115771,0.7737003058103971,0.8252803261977568,0.9026503567787966,0.9456337071015964,1.5474006116207941,0.0,33.25076460311706,16.625382301558535,26.723216980603148,33.25076460311708,4.750109229016725,16.625382474771918,7.105427357601002E-15,3.3306690738754696E-16,4.7580986769649563E-17,-24.9467317967063,2000010.7099194438,285715.8157027777,10.156064165428724,33.25076460311706,16.625382301558535,26.723216980603148,33.25076460311708,4.750109229016725,16.625382474771918,7.105427357601002E-15,3.3306690738754696E-16,4.7580986769649563E-17,-24.9467317967063,2000010.7099194438,285715.8157027777,10.156064165428724,33.25076460311706,16.625382301558535,26.723216980603148,33.25076460311708,4.750109229016725,16.625382474771918,7.105427357601002E-15,3.3306690738754696E-16,4.7580986769649563E-17,-24.9467317967063,2000010.7099194438,285715.8157027777,10.156064165428724,33.25076460311706,16.625382301558535,26.723216980603148,33.25076460311708,4.750109229016725,16.625382474771918,7.105427357601002E-15,3.3306690738754696E-16,4.7580986769649563E-17,-24.9467317967063,2000010.7099194438,285715.8157027777,10.156064165428724,33.25076460311706,16.625382301558535,26.723216980603148,33.25076460311708,4.750109229016725,16.625382474771918,7.105427357601002E-15,3.3306690738754696E-16,4.7580986769649563E-17,-24.9467317967063,2000010.7099194438,285715.8157027777,10.156064165428724,33.25076460311706,16.625382301558535,26.723216980603148,33.25076460311708,4.750109229016725,16.625382474771918,7.105427357601002E-15,3.3306690738754696E-16,4.7580986769649563E-17,-24.9467317967063,2000010.7099194438,285715.8157027777,10.156064165428724,37.65866569467732,18.769809037814852,30.52110987810204,37.57363168107188,5.367661668724555,18.769809056849457,-0.1190476190476133,0.0,0.0,0.0,2000010.429214648,285715.77560209256,10.156064067182564,0,11.889999999999995,12.110094255809829,-0.1705051432669667,0.04979955340971781,5.077765769516023,7.013266964501183,6.0,22.0,22.0,22.0,6.0,0.0,0.0,0.0,0.0,0.0,17.491311999999997,3.4652546903311534,3.1587260666029606,2.704532477564238,2.183920019976967,1.6972553667736183,1.3321498097740496,1.122572110257995,0.08392307051869152,1.9046350692171004,1.7088829911444994,1.4165944168322675,1.0916179333990534,0.8120048960959408,0.6225257602543439,0.5206879807069249,0.08392307051869102,3.495528058350003,3.1972402575009737,2.7562604398354664,2.253323613356832,1.7876265956359962,1.4428617133211419,1.2472392950357696,0.2709139018929374,1.8415981615513084,1.6317336011836365,1.3208925676069387,0.9757096246993563,0.6769466845955499,0.4732406526171396,0.36356136753168866,0.2709139018929368,3.6275465963277065,3.3647010139811844,2.978659738469074,2.5460030836898953,2.1589741402657627,1.8849439206309044,1.7345318536167793,0.9439184268026225,1.6536786800471612,1.3976618505360214,1.0218011978975465,0.6015651512168513,0.2276754257104337,0.03533426385876159,0.17911668218630586,0.9439184268026207,3.517773193120804,3.225530554953649,2.794149646267337,2.3038765150650553,1.8529110925105863,1.5220494180320228,1.3357063583535116,0.3992772455089822,1.8012393771583683,1.5819570346906138,1.2583909446535189,0.8990644770566049,0.586652857243779,0.37260323977656507,0.2571481291606467,0.3992772455089811,3.6911642993805733,3.4447908655003965,3.083065776250067,2.6797628131323665,2.3234406206790124,2.0748447245677,1.9395850814679096,1.2076448229620895,1.5942709128431396,1.3226200741067484,0.9232484847179212,0.4740403316760542,0.06915574249319643,0.22019647146860533,0.3799986541250432,1.2076448229620869,3.5210266217160746,3.299285968901015,2.904733881914915,2.414043630121129,1.9589836340429552,1.6373006662254366,1.463136584861142,0.6086956521739137,1.7806947925783734,1.4969887670264106,1.1273082041678906,0.7585368355622211,0.4465819419597038,0.225539445267644,0.10199143600303184,0.6086956521739125,0,0,0,0,0,2,5,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.535533905932738,3.414213562373095,2.060660171779821,1.2071067811865475,0.6767766952966369,0.35355339059327373,0.17677669529663687,0.0,0.7907905579903911,0.5690355937288492,0.4121320343559642,0.30177669529663687,0.22559223176554563,0.17677669529663687,0.17677669529663687,0.0,5.535533905932738,3.414213562373095,2.060660171779821,1.2071067811865475,0.6767766952966369,0.35355339059327373,0.17677669529663687,0.0,0.7907905579903911,0.5690355937288492,0.4121320343559642,0.30177669529663687,0.22559223176554563,0.17677669529663687,0.17677669529663687,0.0,11.334622430286998,22.102694828841948,20.80392156862746,21.080000000000002,13.388435928143707,177.48334610778446,0.4928096708820434,0.9609867316887803,0.9045183290707591,0.9165217391304349,0.5821059099192916,7.716667222077585,2.976700000000002,34.432999999999986,16.625382301558535,26.723216980603148,33.25076460311708,4.750109229016725,16.625382474771918,3.3306690738754696E-16,4.7580986769649563E-17,-24.9467317967063,2000010.7099194438,285715.8157027777,10.156064165428724,54,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.491388888888888,0.0,7.008611111111112,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.245694444444444,0.0,1.3611111111111112,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.245694444444444,0.0,1.4375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.5,1.6428571428571428,0.2,2.245694444444444,0.2,1.3611111111111112,5.3184305555555556,0.1388888888888889,0.24569444444444444,0.9827777777777778,0.1388888888888889,0.24569444444444444,0.9827777777777778,3.5,0.5,0.0,0.0,0.42174,0.7,0.42174,0.42174,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.28571,0.0,0.0,3.0,0.42857,3.0,0.42857,0.0,0.0,-3.0,-0.42857,0.0,0.0,6.60412,0.94345,6.60412,0.0,0.0,3.41421,0.48774,3.41421,0.0,0.0,-2.1E-4,-3.0E-5,-2.1E-4,-3.0E-5,0.0,6.0,0,0,0,0,0,0,1.0,0.8865408928220899,1.1492297615162819,2.0242600666933597,2.392277173072062,1.9701247407004667,1.4876258314977315,20.39044053490807,26.432284514874482,46.55798153394727,55.022374980657425,45.31286903611073,34.215394124447826,0.19598292262472913,0.2540541663141084,0.447492503995196,0.5288481060525372,0.4355250928004834,0.3288616019740401,3.637021063234923,3.374332194540731,2.4993018893636534,2.131284782984951,2.5534372153565466,3.0359361245592815,0.1988013201316891,0.25770767662706323,0.45392781856624326,0.5364533818780898,0.44178830604033187,0.33359090545990183,6.634953581644547,9.787220005974852,12.989284151188592,12.765116027937657,9.706424983540197,9.69148208677245,27.765075162887893,23.862714211800487,22.511665695127334,23.214128632359888,26.97884692726054,20.926011357171898,7.0,6.0,6.0,7,0,7,2.23,1.0949000000000007,0.16666666666666669,3.838519496373775,0.0,0.0,5.6762400186093895,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.08499999999999999,0.064,0.12700000000000003,0.04000000000000001,3.267,5.0,4.0,3.0,2.0,1.0,0.0,0.0,0.0,0.0,28.0,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,0.0,0.0,0.0,3.367295829986474,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.6666666666666666,6.0,1.0,0,3.0,6.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.0,0.0,0.0,0.0,0.0,0.08333333333333333,0.04444444444444447,0.03125,0.026666666666666672,0.027777777777777776,0.0,0.0,0.0,0.0,0.0,0.21347222222222223,16.625382301558535,26.723216980603148,33.25076460311708,4.750109229016725,16.625382474771918,3.3306690738754696E-16,4.7580986769649563E-17,-24.9467317967063,2000010.7099194438,285715.8157027777,10.156064165428724,0.0,129.62835108186675,3.807354922057604,3.1354942159291497,3.713572066704308,4.31748811353631,4.919980925828125,5.53338948872752,6.142037405587356,6.7580945044277305,7.368339686311381,7.98514393119862,62.8735403382505,2.5649493574615367,0.0,3.4965075614664802,0.0,4.574710978503383,0.0,5.720311776607412,0.0,6.900730664045173,7.275172319452771,100.12520051199999,4.353269587478261,12.83378877709787,1.8333983967282672,0.0,0.0,0.0,56.0,4.0,4.323,22.0,1.2248181818181816,2.112194041483803,2.841335948252175,3.5705651301782844,4.901353848109258,5.894083670779604,7.181792239762858,8.14971445718844,0.0,0.0,69.7222073091818,59.40344629549851,56.147141657195654,69.68256275162217,77.41351410394513,72.63702886286345,36.176142959429185,8.280631470228712,0.0,0.0,268.7875960232532,293.8125542860524,294.6988840899871,381.05307228136945,458.65945748623574,495.7779935349423,441.05365575911884,253.32364137230303,0.0,0.0,8.893455721090907,14.96836856373387,19.77594353832786,24.92903540548149,34.02469500541171,40.80037508693419,49.28997252326246,54.75356319090007,0.0,0.0,2.0597711487490904,2.5285473415001833,2.688241381564182,3.4838796592500647,4.351666612910762,4.900679746206924,4.934891604025718,3.6234682185004434,0.0,0.0,176.6115070737156,330.81587674306724,472.8171045073839,587.799899018662,821.6825129067979,996.2742309592848,1245.2515665458566,1507.026062091363,0.0,0.0,2.404363636363636,3.3434601175070933,3.971212192974063,5.170836748084813,6.894778862801775,8.422072307651556,9.785607938757542,8.14971445718844,0.0,0.0,0.42791113636363654,0.5366881408630292,0.5777852357256313,0.748373510914002,0.9410589024521003,1.066458970595008,1.0937005655333847,0.8345307604160962,0.0,0.0,403.8379911511083,161.73052322552064,9.91449022677791,160.45101974572015,-64.25801421400627,-9.619009783731695,243.38697140538818,225.9885374395269,19.533500010509606,0.7156580818564687,0.2866093794179709,0.017569880035446267,0.28434191814353105,-0.11387429663370645,-0.017046246866378158,227.88134058922114,91.2627569827556,5.594637883614779,90.54074722969993,-36.26009128301595,-5.427901516668875,0.06591680503823905,0.16271792738806373,1.1840703711503844,10.8076518203148,564.2890108968286,0.0,1.0,0.0,372.4894148768996,19.299984841364502,7.195118958220815,527.4819921855019,22.966976121934334,8.079836002258586,555.4553130270918,23.56809947847072,8.220212446025531,2.4588260142459064,2.4588260142459064,681.7797499819827,661.1727766305373,43.99483577714102,1.0311673046438217,15.496813158607676,15.028417880220196,4.121686850535215,4.466158665423347,8.836778876532481,0.9786083609044471,4.462408854974306,5.6911839742235735,2.410082022206279,20.927416893067207,9.491973299142927,0.14351445432749455,3.5672463552746025,8.61729069760368,8.492784038519986,1.1789503720187515,2.1891164132294496,7.561028204205715,4.322884441387536,0.8602647629638762,2.474850258276829,0.24108105686345987,0.13932910995207265,1.5778104362607236E-19,3.446397419078224E-59,1.4519504420343953E-120,1.1798156019634413E-203,1.8490658661802625E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3744990530264997,5.690851874756953,0.16312939951863942,5.109038949584421,0.06989286777316628,0.0011947818580852851,0.5229694640398732,0.33502977690690666,3.0854402492219846,0.045373355095868276,0.018276572292990168,0.3412675308818224,0.1487798829718644,0.8595610268188838,0.1127526279465125,0.0016980199715199876,9.81306313676862E-4,1.1112647912704614E-21,2.4273258818235872E-61,1.022620568239026E-122,8.309537752587714E-206,1.3023122084905E-310,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2089285947484605,5.690874696264675,0.5523868309463978,6.29641422860832,0.7044678025869959,0.010905080606763595,1.1443171916115147,1.337286460403956,3.8404054459264922,0.1817680583279086,0.16669332617659421,1.2698321073613472,0.6212967891504069,0.8596960052632399,0.4265408019391599,0.017694156127444002,0.01022596837965762,1.1580235914695827E-20,2.529460716669373E-60,1.065649476565307E-121,8.659179006924674E-205,1.357109730046205E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.212149946137881,5.691147735471158,2.247976070367687,19.236814570102172,8.45927062580189,0.12795983074092687,3.380858771000262,7.866748499095824,8.038360349438438,1.0759483878789928,1.9519647852501631,6.926186272132096,3.9330918088501567,0.8602186138988333,2.270681910560425,0.21479892705608863,0.12413972854974938,1.405800692531117E-19,3.0706780530364185E-59,1.2936617036012088E-120,1.0511944604891376E-203,1.647484397030775E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7817383159537912,5.690903714169241,0.8402042217536592,7.717671633812155,1.5227171584289168,0.023313396235242003,1.5708689872026649,2.229683483358552,4.462228045113588,0.3036039955539571,0.35607869311228946,2.069126670734488,1.058348263584606,0.859791237770757,0.6919379890153549,0.03843390818324413,0.022212169782285754,2.515381983459243E-20,5.494326679911311E-60,2.3147330622456956E-121,1.880889389992962E-204,2.947823679656997E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.389004951648255,5.691336212194052,3.038161081960651,28.006974469741728,13.833234946101772,0.20887470515259,4.257377411567181,11.672695818177527,10.31541047303797,1.5984765513990356,3.1855551543040845,10.130532636679106,5.91854978745397,0.8604391143491679,3.2984224112470177,0.35159384775844577,0.20319841249619847,2.301088236179779E-19,5.026246737875419E-59,2.1175332631208977E-120,1.7206501745377132E-203,2.6966887877054743E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.790059978797757,5.271422265602183,1.293410609538524,10.774148277673197,3.5245795625802936,0.05350586920185344,2.2200554888445816,3.8538587535015862,5.8338985924571025,0.5261395908316303,0.8166368856475036,4.126991506515811,1.8900311160958891,1.2743592928564422,1.3763466393544108,0.08932335796974704,0.05162288383857513,5.845951710909298E-20,1.2769260758777543E-59,5.379627346668081E-121,4.371339470412751E-204,6.850981281121583E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.486988036444469,0.7642377290087139,0.5044841869565218,0.8550977678724883,0.08728449585043462,0.5610841846990287,0.5709903519451323,0.6086763807493887,8.755709952409704,9.884451655767084,21.526738769839373,0.7826466518087324,1.7407509173935496,6.486479405740728,0.3230504562150598,0.11672033721271396,0.9365066550035157,0.046641464995567455,0.42114518158556824,0.10202639439588769,0.03258249978797756,6.926250199168502,2.890270753001657,10.061103765305939,0.9047599825052736,0.5557540757694335,6.900889174218309,0.5057898249350212,0.277331772501661,0.8980842660547166,0.06582367463627119,0.4766766239160017,0.2500990247617466,0.18394610178632181,7.684010771654991,5.544506942509884,14.196516401816561,0.8471263990820749,0.9107217504640701,7.4638687684507,0.7540429875720656,0.4955239280587869,0.8565930867070416,0.0865379644621255,0.5576243614690837,0.5558582202165231,0.5872467140426207,8.713435684081553,9.700249818793285,21.202532773785467,0.7848896300605623,1.7007292957282274,7.078157471618863,0.5839585825877287,0.34603506533504574,0.8838691185967523,0.07292052483409588,0.501480661264209,0.3333772141633467,0.286372660387801,8.008151119541639,6.784711633881374,16.223147069096747,0.8258036778951284,1.1212305358153567,7.558866057007859,0.7959332755467396,0.532341715727684,0.8505396747887607,0.08956010388746768,0.5719091547545547,0.619334317171418,0.6777543815609337,8.887141048282283,10.463961231425957,22.553857968890746,0.775809512183141,1.8689978534869063,7.4934062877797984,0.7551527117906227,0.49670960188356195,0.8568526170292756,0.08634985913012111,0.5620465804883756,0.5574955359862219,0.5900603665828102,8.745268601453983,9.755804535555514,21.311786912185283,0.7852789255439135,1.7096024830574077 +UMLCN0262,L,"4,5-diethyloctane",CCCC(CC)C(CC)CCC,Alkanes,,C12H26,NREL (2014),Unknown,PubChem,,20,0,-1.0477999999999996,1.0978848399999992,49.7504,38.45661799999996,0,0,38,12,26,0,12,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1757.5871159999972,1901.689618999999,2257.9562999999994,2594.068189999999,2736.3050540000017,2270.3301699999965,1277.7495399999927,478.69634500000166,103.124448,5890.380176196138,7641.837944876108,10460.648108310495,12252.081266461608,13535.669429615045,13194.667175614903,9836.233768429425,5030.333338773066,1620.9320311510182,265.16625600000015,268.0041080000001,510.35908800000016,694.2000560000014,759.4562480000021,880.2937360000027,870.5714080000024,614.2655080000002,244.25971200000018,45.02673552607405,59.63005206000002,88.23869330728186,106.26967873880874,118.29837174426169,122.27570689214762,100.1828074594297,57.075939444883126,20.019653005469994,6329.391225710475,5375.924157525402,11281.197013458286,16094.136817621813,17376.854434103847,20683.504519786497,21413.785547128184,15884.973091398486,6466.264847004871,59.05555555555556,70.94444444444446,111.16666666666669,141.16666666666663,161.66666666666663,188.25,177.0,112.0,42.0,46.25229252631571,51.39701672972971,31.360504166666658,26.20270898989898,25.336157907407422,18.018493412698387,10.140869365079308,5.318848277777796,2.8645680000000002,155.01000463674046,206.53616067232724,145.2867792820902,123.75839663092533,125.33027249643561,104.71958075884844,78.06534736848751,55.89259265303407,45.02588975419495,6.978059368421056,7.243354270270273,7.088320666666669,7.012121777777792,7.032002296296316,6.986458222222244,6.909296888888908,6.825172311111113,6.784992000000005,1.1849140927914223,1.611623028648649,1.2255374070455813,1.0734310983718054,1.0953552939283488,0.9704421181916478,0.7951016465034103,0.6341771049431458,0.5561014723741665,166.5629269923809,145.29524750068654,156.68329185358732,162.56703856183648,160.89680031577635,164.1547977760833,169.9506789454618,176.49970101553873,179.6184679723575,1.554093567251462,1.9174174174174177,1.5439814814814818,1.4259259259259256,1.4969135802469131,1.494047619047619,1.4047619047619047,1.2444444444444445,1.1666666666666667,0.05296081841999366,-0.00802302062312432,-0.01698592004822106,0.0088625656125002,-0.0022077568900287707,-0.01619723208627321,-0.014978046689607064,0.01063080765039165,0.007691314417860086,994.0156528421055,-56.676331083104046,-201.217743490306,137.49879138504096,-212.62008228808907,-479.5689553185591,-288.4120990027683,290.08891353185794,205.24209836011178,1848.4145524483527,-105.3920578150377,-374.1729863255778,255.68487398914462,-395.3761222173607,-891.7789507426289,-536.3146137333295,539.4327219527082,381.6564460520893,0.1947208421052631,-0.011102504155120294,-0.03941717451523176,0.02693506925207921,-0.04165081440442906,-0.09394426592797647,-0.05649795013850697,0.05682642659279203,0.04020551800553717,8.263273075602317,-0.4711515350123874,-1.6727273432393108,1.1430303512135582,-1.7675152260228773,-3.9866668347204133,-2.3975758586430675,2.411515253170012,1.7061818901041053,44.886230494633914,-2.5593026159226975,-9.08628147664703,6.208959009041562,-9.60117076032357,-21.65563751934094,-13.023670116526159,13.099389128832845,9.268007106179857,4.175438596491224,-1.403277931671283,-1.1657433056325017,0.5297783933518011,0.37857802400738805,0.0805632502308419,-1.5554016620498714,0.426592797783932,0.2548476454293629,0.00139370574789457,-2.168383952195762E-4,-2.359155562252925E-4,8.952086477272928E-5,-2.044219342619232E-5,-1.2854946100216834E-4,-1.1887338642545289E-4,1.1812008500435166E-4,2.1364762271833574E-4,26.15830665373962,-1.531792731975785,-2.7946908818098053,1.3888766806569794,-1.9687044656304542,-3.8061028199885643,-2.2889849127203834,3.223210150353977,5.701169398891994,48.64248822232507,-2.848433995001019,-5.196847032299692,2.5826754948398447,-3.660890020531118,-7.077610720179595,-4.2564651883597575,5.993696910585647,10.601567945891368,0.005124232686980608,-3.0006767986811607E-4,-5.474607571559967E-4,2.720714065866587E-4,-3.856556889298987E-4,-7.455894121267974E-4,-4.4839642967069024E-4,6.314047399199115E-4,0.0011168199445982547,0.2174545546211136,-0.012733825270605065,-0.023232324211657093,0.011545761123369275,-0.01636588172243405,-0.031640212973971536,-0.019028379830500534,0.026794613924111248,0.0473939413917807,1.1812165919640503,-0.06917034097088372,-0.12619835384231987,0.06271675766708648,-0.08889972926225527,-0.1718701390423884,-0.1033624612422711,0.1455487680981427,0.2574446418383294,0.10987996306555853,-0.037926430585710345,-0.01619087924489586,0.0053512969025434455,0.003505352074142482,6.393908748479517E-4,-0.01234445763531644,0.004739919975377023,0.007079101261926747,-0.15558405750076554,-0.1692721412548403,0.06423225627645276,-0.014667510309886962,-0.09223572565182013,-0.08529303018591364,0.08475252770019223,0.15329464131226186,-0.058558558558560146,-0.10683760683760748,0.05309505309505286,-0.07526115859449206,-0.14550264550264533,-0.08750508750508694,0.12321937321937404,0.21794871794871895,-0.058558558558558585,-0.10683760683760693,0.0530950530950531,-0.07526115859449203,-0.14550264550264594,-0.08750508750508779,0.12321937321937337,0.2179487179487181,-0.05855855855853558,-0.10683760683759685,0.053095053095056355,-0.07526115859448639,-0.1455026455026434,-0.0875050875050919,0.12321937321936079,0.21794871794870174,-0.0585585585585554,-0.10683760683760526,0.05309505309505367,-0.07526115859449106,-0.1455026455026454,-0.08750508750508823,0.12321937321937171,0.2179487179487158,-0.058558558558572026,-0.10683760683761259,0.05309505309505103,-0.07526115859449499,-0.1455026455026456,-0.0875050875050838,0.12321937321938026,0.21794871794872703,-0.3451623892800365,-0.14735060690943053,0.0487012987012988,0.0319016495487085,0.00581899426437254,-0.1123449379751909,0.04313725490196067,0.06442577030812331,1.6845761850795946,1.2624257980065594,0.881254330724797,1.0648849383752241,1.1494809536942192,1.02615061285849,0.634354469386985,0.4528553327453859,1.5833333333333341,1.314369658119659,1.001424501424502,1.1683285849952525,1.1444851444851452,0.9298941798941804,0.550783475783476,0.375534188034188,1.5833333333333341,1.3143696581196584,1.0014245014245018,1.168328584995252,1.144485144485145,0.9298941798941802,0.5507834757834761,0.37553418803418837,1.5833333333333313,1.3143696581196564,1.0014245014245002,1.1683285849952512,1.1444851444851445,0.9298941798941793,0.5507834757834751,0.3755341880341877,1.5833333333333335,1.3143696581196571,1.0014245014245005,1.1683285849952498,1.1444851444851427,0.9298941798941787,0.5507834757834758,0.37553418803418803,1.5833333333333313,1.3143696581196556,1.0014245014244993,1.1683285849952492,1.1444851444851418,0.929894179894178,0.5507834757834752,0.3755341880341875,1.9558823529411786,1.0256185807656404,0.6862320685850102,0.8478446934329292,1.060782646391891,1.265906362545019,0.861519607843138,0.7384453781512612,74.51072971428069,37.25536485714034,51.344220120415606,74.51072971428069,6.2092274761900565,37.25536485714034,0.0,1.1102230246251565E-16,9.25185853854297E-18,-44.08416068361253,58.02790956045998,4.835659130038332,4.873108912950518,74.51072971428069,37.25536485714034,51.344220120415606,74.51072971428069,6.2092274761900565,37.25536485714034,0.0,1.1102230246251565E-16,9.25185853854297E-18,-44.08416068361253,58.02790956045998,4.835659130038332,4.873108912950518,74.51072971428069,37.25536485714034,51.344220120415606,74.51072971428069,6.2092274761900565,37.25536485714034,0.0,1.1102230246251565E-16,9.25185853854297E-18,-44.08416068361253,58.02790956045998,4.835659130038332,4.873108912950518,74.51072971428069,37.25536485714034,51.344220120415606,74.51072971428069,6.2092274761900565,37.25536485714034,0.0,1.1102230246251565E-16,9.25185853854297E-18,-44.08416068361253,58.02790956045998,4.835659130038332,4.873108912950518,74.51072971428069,37.25536485714034,51.344220120415606,74.51072971428069,6.2092274761900565,37.25536485714034,0.0,1.1102230246251565E-16,9.25185853854297E-18,-44.08416068361253,58.02790956045998,4.835659130038332,4.873108912950518,74.51072971428069,37.25536485714034,51.344220120415606,74.51072971428069,6.2092274761900565,37.25536485714034,0.0,1.1102230246251565E-16,9.25185853854297E-18,-44.08416068361253,58.02790956045998,4.835659130038332,4.873108912950518,92.61682011273436,46.16257672303384,65.08763698840215,92.37376455717879,7.697813713098233,46.16257672303384,-0.2916666666666785,4.996003610813204E-16,4.163336342344337E-17,-42.279267807481,52.43267981446844,4.369389984539037,4.751436069015619,0,11.889999999999995,12.11019763308084,-0.17038535064640803,0.05004550654146418,5.4533395315791084,10.000820072072301,11.0,37.0,37.0,37.0,11.0,0.0,0.0,0.0,0.0,0.0,28.423381999999993,3.641094496194024,3.276015657249075,3.0736883052936506,3.010495856947745,2.586256774659242,2.3560747620715072,1.9595821060892633,1.776632423042284,1.9867924364559035,1.7727284991536238,1.6556266691049997,1.62039953615603,1.327199854836249,1.1850139490121605,0.9430358285871477,0.8525010325239468,3.6637185388157683,3.310093347657416,3.114632211461069,3.053757541871547,2.6404672913399043,2.417821758907804,2.035986598076745,1.8627227149862582,1.9347123123176002,1.701677113673112,1.5745812111647854,1.536189846400686,1.2284420252281427,1.0766603508339714,0.8194907085877959,0.7207469290443976,3.764259054784039,3.4593557090699583,3.292472509771756,3.2411527899562826,2.8730455591038213,2.681148316012976,2.3562693109131967,2.218731606472104,1.7845545210755343,1.4889675701437657,1.3274115541599878,1.277851208080555,0.918031542754728,0.7317009650780505,0.4166486370511654,0.2849774929275944,3.6804395280865267,3.3351799132998305,3.144702630211823,3.0855061172604037,2.680155093104228,2.4629573794591253,2.091547612514353,1.92504901025387,1.9018236957759056,1.656082264062976,1.5221746594470766,1.4816066818865536,1.1637960697267522,1.005377116433583,0.7374840041015743,0.6328409145248629,3.8139102335415767,3.5314510257864176,3.3773183639680804,3.330196026403374,2.981828421623723,2.8031532721841823,2.5013802618444956,2.3775049032785485,1.738611079432397,1.4216666710584631,1.2478285795300883,1.194200450791639,0.8151957178052013,0.6159432052229475,0.2778553484904913,0.13229750988945788,3.6361119768667405,3.3787260911526835,3.240361345193917,3.197353001555091,2.8025572449471,2.572230752741819,2.197025814682557,2.0397137020938225,1.9310646099301747,1.5999873689391115,1.4162073362064211,1.3597933296721085,1.0211042428360904,0.8668064819899653,0.5985553248919495,0.48585041220273895,0,0,0,0,0,4,6,2,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3333333333333333,0.0,0.08333333333333333,0.0,0.3333333333333333,0.0,0.08333333333333333,0.0,1.040440114519881,1.6785113019775788,1.707106781186547,1.040440114519881,1.6785113019775788,1.707106781186547,9.397341225498538,5.794753619934976,3.9140061608890413,3.0343533496341455,2.287901101718757,1.3653550716504104,0.4023689270621825,0.08333333333333333,0.7831117687915449,0.5267957836304524,0.3261671800740868,0.21673952497386753,0.16342150726562552,0.13653550716504104,0.10059223176554563,0.08333333333333333,9.397341225498538,5.794753619934976,3.9140061608890413,3.0343533496341455,2.287901101718757,1.3653550716504104,0.4023689270621825,0.08333333333333333,0.7831117687915449,0.5267957836304524,0.3261671800740868,0.21673952497386753,0.16342150726562552,0.13653550716504104,0.10059223176554563,0.08333333333333333,19.04376144921635,36.54187909686818,34.43137254901961,34.879999999999995,22.381208383233552,292.62462155688627,0.5011516170846408,0.9616283972860047,0.9060887512899898,0.9178947368421051,0.5889791679798303,7.700647935707534,4.639000000000005,57.37800000000005,37.25536485714034,51.344220120415606,74.51072971428069,6.2092274761900565,37.25536485714034,1.1102230246251565E-16,9.25185853854297E-18,-44.08416068361253,58.02790956045998,4.835659130038332,4.873108912950518,114,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,6.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.3055007558579,0.0,8.361258503401361,0.0,0.0,0.0,1.999907407407407,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.30687074829932,0.0,1.3598422146636433,0.0,0.0,0.0,0.9999537037037035,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.34587962962963,0.0,1.4394907407407407,0.0,0.0,0.0,0.9999537037037035,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.666666666666664,1.6388888888888886,0.2,2.34587962962963,0.2,0.9999537037037035,8.900063573318215,0.33337962962962975,0.3458796296296297,2.6110015117157976,0.33337962962962975,0.3458796296296297,2.6110015117157976,6.0,0.5,0.0,0.0,0.42632,0.7,0.42632,0.42632,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.33333,0.16667,0.0,5.5,0.45833,5.5,0.45833,0.0,0.0,-5.5,-0.45833,0.0,0.0,15.78061,1.31505,15.78061,0.0,0.0,5.79474,0.4829,5.79474,0.0,0.0,0.11926,0.00994,0.11926,0.00994,0.0,11.0,0,0,0,0,0,0,1.0,0.8997437586982626,1.3605273114437084,2.51005646035654,3.0105709342684848,3.0708470936225187,3.176110251517256,34.19026283053398,51.70003783486092,95.38214549354852,114.40169550220241,116.69218955765571,120.69218955765572,0.17144744404212792,0.25925040084079926,0.47829480379188605,0.5736685437358505,0.5851542510364229,0.6052122944497677,4.348183754745323,3.887400201999877,2.737871053087045,2.2373565791751004,2.1770804198210665,2.0718172619263293,0.1727136602536098,0.26116508123870086,0.4818272252742385,0.5779053430311323,0.5894758774276441,0.6096820584809662,6.679290298877863,12.208692931823212,16.118088518739498,16.622519534426264,16.68326735665608,17.946425251392924,47.55009264780696,35.76456563120422,31.98757148155269,29.78845460821749,29.71037250996756,26.87088512456513,12.0,7.638888888888889,4.591836734693878,12,0,8,2.7800000000000002,1.7994000000000003,1.0676596376709182,7.5004997650441405,2.746356191876157,0.0,5.469631815745401,7.065551058002885,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.121,0.10400000000000001,0.049000000000000044,0.010000000000000009,5.305999999999999,12.0,14.0,14.0,10.0,4.0,1.0,0.0,0.0,0.0,78.0,2.4849066497880004,2.5649493574615367,2.70805020110221,2.70805020110221,2.3978952727983707,1.6094379124341003,0.6931471805599453,0.0,0.0,0.0,4.3694478524670215,1.0,0.42857142857142855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.6363636363636364,11.0,1.0,1,4.0,7.0,0.75,2.0,1.333333333333334,0.75,0.4800000000000003,0.1666666666666667,0.04081632653061225,0.0,0.0,0.0,0.0,0.18181818181818182,0.11111111111111116,0.05357142857142857,0.03428571428571431,0.01666666666666667,0.010204081632653062,0.0,0.0,0.0,0.0,0.4076571840857556,37.25536485714034,51.344220120415606,74.51072971428069,6.2092274761900565,37.25536485714034,1.1102230246251565E-16,9.25185853854297E-18,-44.08416068361253,58.02790956045998,4.835659130038332,4.873108912950518,0.0,216.10827421120015,4.584962500721156,3.8501476017100584,4.59511985013459,5.3706380281276624,6.1463292576688975,6.930494765951626,7.71289096149013,8.498418036089904,9.282754052485227,10.068450991783875,85.45524354544199,3.1354942159291497,0.0,4.2626798770413155,0.0,5.616771097666572,0.0,7.0825485693553,0.0,8.6020856584342,8.855235623206967,170.203450832,4.479038179789473,22.50431094924539,1.875359245770449,0.0,0.0,0.0,214.0,14.0,7.046000000000001,46.0,1.2348918918918916,2.1316068445570817,2.8844198222237862,3.563890517831504,4.246709277482968,5.055981311877896,5.915139673327977,7.125395082866373,9.473632882116036,0.0,74.78950626099994,75.52702944998128,84.78853159920159,103.32703773090061,89.14092921593563,59.48104670566288,37.890982187121836,24.081978325523146,9.625817320734349,0.0,281.49802323071873,334.39669834111805,382.68037810618966,483.1656787185396,485.9047403983687,425.80437863121824,357.44187598960815,348.51386990375994,294.4759833401521,0.0,8.980981063891894,15.165153797558393,20.28177984776455,25.141118677312786,29.783545755220636,35.034670108973124,40.46679255113977,48.477861388352835,63.64826146771283,0.0,2.1336807281832417,2.76287275098361,3.251333701203002,4.124326689906622,4.388259010198308,4.2332240009884075,3.940793574034224,4.183839127277377,4.212099435190614,0.0,177.16881441328837,329.9909429587448,464.9285561068298,567.7202867376654,688.6075608507936,851.5204574261644,1036.689297312432,1269.3293131459266,1751.841948700616,0.0,2.4252717717717713,3.379111889145068,4.204316479068691,5.4706591452176045,6.551537669828877,7.295671799162434,7.56532536014455,8.643931233905771,9.473632882116036,0.0,0.44239682432432437,0.582481562580093,0.6899357743322344,0.8751700002980405,0.9399473643123119,0.9215633279383728,0.8732023927052741,0.9385910308685376,0.970100007128682,0.0,470.7350651166494,306.9850266308916,11.470087024494806,151.58250003417695,-98.85296689813794,-9.237830932475797,319.1525650824725,405.8379935290295,20.707917956970604,0.7564225910971372,0.49329320562643936,0.01843124421807842,0.24357740890286309,-0.15884649965517159,-0.014844239420169502,292.9466995545089,191.042174310698,7.138036629151693,94.33245234074403,-61.51793766798442,-5.748864453173324,0.04618619346561315,0.09991542493599018,0.5323229978298709,6.50436512465006,622.3175651508262,0.0,1.0,0.0,682.8972606076494,26.132303010022852,8.80613063078039,934.7601987341275,30.57384828140101,9.7776256140097,1360.8083178694314,36.88913549907929,11.081511081117988,1.9657232520426173,1.750271877809958,1300.3567444615148,1077.202967818641,320.13356846145564,1.2071603804571436,4.06191937543744,3.3648547791961314,5.3159913199595605,5.6454556919422,10.065582814166165,0.7829531154646816,7.25141469747916,11.490270953713503,7.0596850194231315,36.7437315104045,21.56205586350481,15.975352502039717,13.752765125599625,34.529315585401505,23.986167900597565,20.667900010446065,9.689797520823507,21.371295685850697,5.859075357371933,5.8915434650539416,2.7264967826234088,1.0891644427555631,0.14277361679172715,0.6352252801801717,2.008139857612635,1.273792687859013E-8,2.405680934114316E-38,8.763008205713223E-90,6.15664787726622E-163,8.342790099354308E-258,0.0,0.0,0.0,0.0,0.0,0.0,0.6085609633399992,10.440673222899948,0.525008801787367,14.489300591288972,2.1629166743589314,2.350644651540445,1.672426528301523,2.787637132481205,4.901620135787379,2.3224211805003154,0.22595528483649321,1.6755910205015216,0.16538516276747148,2.020024377227636,0.11452499527125447,0.06078325585972654,0.002820634495492743,0.05329681364680284,0.014143493213294,8.97142605261346E-11,1.6943407520154841E-40,6.171858330270352E-92,4.336177439965565E-165,5.875895282036436E-260,0.0,0.0,0.0,0.0,0.0,0.0,1.964508989083948,10.510817416684814,1.7392448062452208,17.079812888859554,3.523973759013996,4.062005868563428,3.437658036060554,7.304734458361972,7.470704440514174,4.492524722316679,1.1143828732768277,4.021636608215731,0.7489092504616901,2.723122438038637,0.4450102337836464,0.21308188065182054,0.012173463934885933,0.17205733710979734,0.1473861039731093,9.34891764740767E-10,1.765633697958769E-39,6.431552232920199E-91,4.518631213482034E-164,6.123135917789497E-259,0.0,0.0,0.0,0.0,0.0,0.0,6.844743937026697,11.375037144205278,6.617315435917121,34.69074588795503,19.455113129221743,14.76282186077919,12.765358193496436,31.892002373285802,22.34856131635511,18.987761693166515,8.741327202746433,19.573238332748314,5.305794097645152,5.623696981185628,2.494894433415496,1.005825086631665,0.12740832140013553,0.5995917289987726,1.7892164595016595,1.1349263521016357E-8,2.143418401517005E-38,7.807682546100146E-90,5.485462417172714E-163,7.433275778748874E-258,0.0,0.0,0.0,0.0,0.0,0.0,2.895324812551638,10.601755800215557,2.6083005961865116,19.43773474460493,5.229910778310872,5.554427304577971,4.857463640977239,10.988155190758745,9.628159278500963,6.449764046571812,2.0340511028974375,6.129248073979096,1.3213021556729567,3.2316572752247374,0.7320560623061334,0.33473746534955134,0.024299088135460837,0.25358968588892294,0.3201423125376352,2.0307098394507202E-9,3.835192327643233E-39,1.3970190876538346E-90,9.815070805133794E-164,1.3300269427442345E-258,0.0,0.0,0.0,0.0,0.0,0.0,8.757133495829503,11.974811787582391,8.745633232098074,45.12912096535059,30.406959504392656,20.894493118845553,17.690111862319256,45.08220957552298,30.582302295697648,27.52117446472685,13.620642297363913,28.701205402128036,8.140068317243335,6.9182691030403785,3.665425215964849,1.4208754749002055,0.20738241097593774,0.7671697138539075,2.9286832541856724,1.857706922202059E-8,3.508459552727724E-38,1.2780023906738514E-89,8.978892317541687E-163,1.2167175291372618E-257,0.0,0.0,0.0,0.0,0.0,0.0,4.638033793929425,9.672861604606819,4.008444108032643,22.311856202160833,9.040321267749674,8.765932606025318,7.437241161291009,18.25425023847494,13.549798100252836,11.580658219079957,4.138624430654532,11.296286899219703,2.4959191337686506,4.788762889053466,1.245901428815476,0.6551828383246197,0.05519931557087282,0.47293326466259317,0.7476441411852847,4.742416901652633E-9,8.956513905809117E-39,3.2625276169503998E-90,2.2921619215561696E-163,3.106077554944897E-258,0.0,0.0,0.0,0.0,0.0,0.0,7.107489021901999,2.212925453591631,0.7285898449402906,0.7072829103525646,0.22021340453519442,0.4384371711811896,0.4144333858531093,0.4447521218948162,10.04900432043392,22.51910270516916,44.027618281036,0.560924365528847,1.2976226789291152,6.0450738380357985,1.5958879964173345,0.28481388556136755,0.7627106861944787,0.20135417059396865,0.3180432551481665,0.21775718316307538,0.06839849516384218,7.925775720014501,11.82351280507451,22.496962351605095,0.6440660292917181,0.6041989334750841,6.477597120771566,1.8471726396020183,0.46580656727803205,0.7368796856237574,0.2101310051528199,0.36472082047995985,0.2904120359838991,0.18259323970884733,8.790576327651616,15.842972597313631,30.20703637607379,0.6053195284356361,0.8377260961727063,7.082228286463376,2.1982615813453132,0.7180678879185258,0.7083249864118298,0.21985786700948343,0.4353498236292194,0.4090453864995802,0.43208778450482294,9.998557755727216,22.232612110676154,43.41047465865552,0.5624874796177449,1.2764829946336227,6.665829331247043,1.9564943685518876,0.5444282429785716,0.7271746167953262,0.21343376375461023,0.3860363969808868,0.3252157708555154,0.24914564972815556,9.166751942777502,17.73589409058686,34.00289273792055,0.5907619251929894,0.9603978175645578,7.186245956292796,2.25864190688,0.7613865048886082,0.7041008008545006,0.22129935228353165,0.4481331229286794,0.43145371131124305,0.4853764386102514,10.206274368061404,23.42236642923582,45.98682414003607,0.5561512012817508,1.364963272850174,7.107537969898915,2.2065542736894317,0.7192870287837514,0.7083892452336794,0.21992134591835844,0.4384210663388344,0.4119098035195663,0.43332275855934627,10.033379272372098,22.382674018598806,43.69675280708668,0.5625838678505193,1.2836536284177469 +UMLCN0263,L,5-butylnonane,CCCCC(CCCC)CCCC,Alkanes,,C13H28,NREL (2014),Unknown,PubChem,,53,0,-1.113400000000003,1.2396595600000069,51.323899999999995,41.550203999999965,0,0,41,13,28,0,13,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1903.883364999997,2070.1679159999994,2330.5988279999992,2361.0807479999976,2361.080747999998,2361.0807479999976,1997.8827209999945,1435.0462619999937,844.7760750000007,6376.0645668073275,8294.828079366474,11149.067806533609,12081.580139461541,12081.580139461537,12081.580139461537,11406.197899143866,9225.063963913584,6204.668929048187,286.1437000000001,289.7798880000001,553.0648800000006,754.6188000000018,754.6188000000018,754.6188000000019,754.5476520000019,747.2914800000013,558.6367799999998,48.70486133577205,64.64604068000001,94.91995916728186,108.2583463127517,108.2583463127517,108.2583463127517,105.23907345820471,90.17903531093978,63.11444873275214,6826.020885848973,5808.963609041202,12199.932299735683,17747.46186046314,17747.46186046314,17747.46186046314,17731.06112239779,18286.972261936728,13850.106796820955,62.02777777777778,74.83333333333333,120.50000000000001,150.5,150.25,151.50000000000003,156.75,147.0,111.0,46.43617963414627,51.75419789999999,29.879472153846145,21.861858777777755,21.86185877777776,21.861858777777755,18.498914083333283,13.287465388888831,10.429334259259267,155.51376992212994,207.37070198416185,142.93676675043088,111.86648277279204,111.86648277279201,111.86648277279201,105.61294351059135,85.41725892512578,76.60085097590354,6.9791146341463435,7.244497200000002,7.090575384615392,6.987211111111128,6.987211111111128,6.987211111111129,6.986552333333351,6.919365555555568,6.896750370370368,1.1879234472139524,1.6161510170000004,1.2169225534266905,1.0023920954884415,1.0023920954884415,1.0023920954884415,0.9744358653537474,0.8349910676938869,0.7791907250957054,166.48831428899933,145.22409022603006,156.40938845814978,164.3283505598439,164.3283505598439,164.3283505598439,164.17649187405362,169.32381724015488,170.98897280025872,1.5128726287262872,1.8708333333333331,1.5448717948717952,1.3935185185185186,1.3912037037037037,1.4027777777777781,1.4513888888888888,1.3611111111111112,1.3703703703703705,0.05769331228492339,-0.006042888332067364,-0.02254006918038061,-4.2135472277891775E-4,6.91418555474611E-4,0.005304573751194757,-0.014464187521178333,4.22422070541296E-4,-6.728620661028428E-4,1074.8299335609747,-56.463861425343964,-361.6856021403948,3.456971107673258,3.456971107673258,3.456971107673258,-359.7410558923286,-31.976982745984973,-32.84122552290262,1998.6921583384633,-104.99696141365308,-672.569821708373,6.428385392673675,6.428385392673675,6.428385392673675,-668.9538549249974,-59.4625648822224,-61.06966123038921,0.2105518048780482,-0.01106088280784822,-0.07085172635335739,6.771969066038048E-4,6.771969066037909E-4,6.77196906603777E-4,-0.07047080309339639,-0.0062640713860820756,-0.00643337061273291,8.935083894756966,-0.4693852702686331,-3.006700034807638,0.028737873689922394,0.028737873689922394,0.028737873689922394,-2.9905349808570856,-0.2658253316317576,-0.2730098000542349,48.5355175267178,-2.549708237801995,-16.332442308977868,0.156104585987762,0.156104585987762,0.15610458598776555,-16.244633479359276,-1.4439674203871036,-1.48299356688403,3.864498644986452,-1.026340141450193,-1.1040055522506416,-0.008923259964306221,-0.2589232599643056,0.991076740035692,-0.9052647233789369,0.06424747174301146,0.7981856038072562,0.001407153958168863,-1.510722083016841E-4,-2.889752459023155E-4,-3.9014326183233125E-6,6.402023661801954E-6,4.911642362217368E-5,-1.3392766223313272E-4,3.9113154679749625E-6,-8.306939087689418E-6,26.215364233194506,-1.411596535633599,-4.63699489923583,0.032008991737715355,0.032008991737715355,0.032008991737715355,-3.330935702706746,-0.29608317357393493,-0.40544722867781013,48.7485892277674,-2.6249240353413272,-8.622690021902217,0.0595220869692007,0.0595220869692007,0.0595220869692007,-6.1940171752314575,-0.5505793044650222,-0.7539464349430767,0.005135409875074346,-2.765220701962055E-4,-9.083554660686844E-4,6.270341727813007E-6,6.270341727812878E-6,6.27034172781275E-6,-6.525074360499665E-4,-5.800066098224144E-5,-7.942432855225816E-5,0.21792887548187723,-0.011734631756715828,-0.038547436343687666,2.6609142305483697E-4,2.6609142305483697E-4,2.6609142305483697E-4,-0.02769013871163968,-0.0024613456632570146,-0.003370491358694258,1.183793110407751,-0.06374270594504987,-0.20939028601253676,0.0014454128332200185,0.0014454128332200185,0.0014454128332200514,-0.15041327295703033,-0.013370068707287996,-0.018308562554123827,0.09425606451186469,-0.025658503536254824,-0.014153917336546687,-8.262277744727982E-5,-0.002397437592262089,0.009176636481811964,-0.008382080772027194,5.948839976204765E-4,0.009854143256879706,-0.10736011324466242,-0.20536149880739457,-0.002772569835499925,0.004549625593302485,0.03490479725906406,-0.09517626799516202,0.0027795931250229207,-0.005903361916772264,-0.05384615384615571,-0.1768808114961973,0.0012210012210009586,0.0012210012210009586,0.0012210012210009586,-0.12706043956044055,-0.011294261294261459,-0.015466015466015283,-0.05384615384615397,-0.17688081149619603,0.0012210012210014207,0.0012210012210014207,0.0012210012210014207,-0.12706043956044002,-0.011294261294261414,-0.015466015466015285,-0.05384615384613331,-0.17688081149618734,0.0012210012210022926,0.0012210012210022675,0.0012210012210022425,-0.1270604395604392,-0.011294261294265584,-0.015466015466021263,-0.053846153846150914,-0.17688081149619495,0.001221001221001413,0.001221001221001413,0.001221001221001413,-0.12706043956043983,-0.011294261294262026,-0.01546601546601632,-0.05384615384616831,-0.1768808114962026,0.0012210012210006477,0.0012210012210006477,0.0012210012210006754,-0.12706043956044086,-0.011294261294258376,-0.015466015466011238,-0.27222124824684363,-0.15016452691768212,-8.765778401121288E-4,-0.025435366993922244,0.09735857877512841,-0.08892882187938242,0.006311360448807982,0.10454651706404837,1.6324631321314305,1.3487744604362288,0.9528463315991827,0.9472019158872981,0.9348592747682415,1.1352469048045333,0.9151419803423271,0.9054472187149836,1.5769230769230793,1.3863060016906195,1.001221001221003,1.001221001221003,1.001221001221003,1.1263736263736284,0.8760683760683775,0.8343508343508357,1.576923076923077,1.386306001690617,1.0012210012210012,1.0012210012210012,1.0012210012210012,1.1263736263736261,0.8760683760683761,0.8343508343508343,1.5769230769230789,1.3863060016906192,1.0012210012210028,1.0012210012210028,1.0012210012210028,1.1263736263736286,0.876068376068377,0.8343508343508352,1.576923076923079,1.3863060016906172,1.0012210012210014,1.0012210012210014,1.0012210012210014,1.1263736263736264,0.8760683760683765,0.8343508343508355,1.5769230769230804,1.3863060016906195,1.001221001221003,1.001221001221003,1.001221001221003,1.1263736263736281,0.8760683760683775,0.8343508343508361,1.8688639551192134,1.0947782932355152,0.7906732117812055,0.8146330060776058,0.6948340345956048,1.1500701262272082,1.0063113604488072,1.0542309490416075,96.75087299174159,48.37543649587077,64.95715523463397,96.75087299174155,7.4423748455185805,48.37543649587077,-4.263256414560601E-14,5.551115123125783E-16,4.2700885562506023E-17,-45.6655714544159,3000041.854926007,230772.45037892362,19.388377837630184,96.75087299174159,48.37543649587077,64.95715523463397,96.75087299174155,7.4423748455185805,48.37543649587077,-4.263256414560601E-14,5.551115123125783E-16,4.2700885562506023E-17,-45.6655714544159,3000041.854926007,230772.45037892362,19.388377837630184,96.75087299174159,48.37543649587077,64.95715523463397,96.75087299174155,7.4423748455185805,48.37543649587077,-4.263256414560601E-14,5.551115123125783E-16,4.2700885562506023E-17,-45.6655714544159,3000041.854926007,230772.45037892362,19.388377837630184,96.75087299174159,48.37543649587077,64.95715523463397,96.75087299174155,7.4423748455185805,48.37543649587077,-4.263256414560601E-14,5.551115123125783E-16,4.2700885562506023E-17,-45.6655714544159,3000041.854926007,230772.45037892362,19.388377837630184,96.75087299174159,48.37543649587077,64.95715523463397,96.75087299174155,7.4423748455185805,48.37543649587077,-4.263256414560601E-14,5.551115123125783E-16,4.2700885562506023E-17,-45.6655714544159,3000041.854926007,230772.45037892362,19.388377837630184,96.75087299174159,48.37543649587077,64.95715523463397,96.75087299174155,7.4423748455185805,48.37543649587077,-4.263256414560601E-14,5.551115123125783E-16,4.2700885562506023E-17,-45.6655714544159,3000041.854926007,230772.45037892362,19.388377837630184,111.51206158142104,55.64545386763359,75.32405735313384,111.32493140390625,8.563456261838942,55.64545386763359,-0.2211538461538538,3.46077333457373E-16,2.6621333342874848E-17,-46.27983024171891,3000801.7270666026,230830.90208204635,19.388707069270556,0,11.889999999999995,12.110219518117955,-0.17050180504472423,0.04994072224868698,5.255744248640961,9.685443013443084,12.0,40.0,40.0,40.0,12.0,0.0,0.0,0.0,0.0,0.0,30.609795999999992,3.6026770764098375,3.293101695484398,3.2931016954843977,3.004316816353912,2.575531305869187,2.575531305869186,2.115566298597389,1.7593593013849946,1.9737203957048537,1.7886074377691479,1.7886074377691459,1.5834789851592792,1.320282095138329,1.3202820951383287,1.0197691878931274,0.8377531044420276,3.6275025071632934,3.3273669544944013,3.327366954494401,3.0445924986319133,2.6297595711422015,2.6297595711421993,2.1836917168461536,1.8453826341894939,1.9189157540887338,1.718100380841109,1.7181003808411088,1.5022111901436135,1.220685282018849,1.2206852820188479,0.9032171765085705,0.7054722719790671,3.736897295893652,3.476869652668507,3.4768696526685017,3.2205599513031027,2.8629811409495955,2.862981140949594,2.4733174860012914,2.2018029998927626,1.7587942368240754,1.5064320677109428,1.5064320677109375,1.25530115644901,0.9081829248737107,0.9081829248737086,0.5286487573290652,0.26821578998463347,3.6458017878459903,3.352557551582279,3.3525575515822763,3.0742329870111638,2.6694946847050467,2.669494684705042,2.233462134487851,1.9077076166105722,1.8841199743989225,1.6728124380723253,1.6728124380723246,1.4497246508727573,1.155529416129226,1.1555294161292253,0.8262564308242053,0.6172280454184428,3.790356555902366,3.5487974358379972,3.548797435837997,3.305006224608219,2.9723286878770545,2.9723286878770514,2.606671768647636,2.3610095181709987,1.7091361395207745,1.439200858477341,1.4392008584773357,1.1762432939166807,0.8048937202744869,0.8048937202744848,0.4018007531193191,0.11518652435531448,3.6238642852450793,3.412231706970057,3.412231706970051,3.1662715185180135,2.7825487391002146,2.7825487391002124,2.3391069186059656,2.0230780205757863,1.8866487029113435,1.6013336140031642,1.6013336140031624,1.342146275873828,1.015500420293037,1.015500420293036,0.6844882157883349,0.46622385630571045,0,0,0,0,0,3,9,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.4330127018922194,0.6123724356957946,0.7391989197401168,0.4330127018922194,0.6123724356957946,0.7391989197401168,9.941311299868556,6.346065214951231,4.2927109793486995,2.897777478867205,1.9114105413724531,1.4783978394802335,0.8288787866419044,0.43301270189221935,0.7647162538360427,0.5288387679126026,0.357725914945725,0.24148145657226708,0.15928421178103777,0.12319981995668612,0.0920976429602116,0.07216878364870323,9.941311299868556,6.346065214951231,4.2927109793486995,2.897777478867205,1.9114105413724531,1.4783978394802335,0.8288787866419044,0.43301270189221935,0.7647162538360427,0.5288387679126026,0.357725914945725,0.24148145657226708,0.15928421178103777,0.12319981995668612,0.0920976429602116,0.07216878364870323,20.58558925300222,39.42971595047344,37.15686274509803,37.64,24.179762874251523,315.6528766467066,0.5020875427561516,0.9617003890359375,0.906264945002391,0.9180487804878049,0.5897503140061348,7.698850649919673,5.173200000000005,62.06500000000006,48.37543649587077,64.95715523463397,96.75087299174155,7.4423748455185805,48.37543649587077,5.551115123125783E-16,4.2700885562506023E-17,-45.6655714544159,3000041.854926007,230772.45037892362,19.388377837630184,144,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,9.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.906849489795919,0.0,12.884956065759637,0.0,0.0,0.0,1.0415277777777776,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3022831632653062,0.0,1.3697916666666667,0.0,0.0,0.0,1.0415277777777776,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3022831632653062,0.0,1.4826388888888888,0.0,0.0,0.0,1.0415277777777776,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.833333333333332,1.6025641025641024,0.2,2.3022831632653062,0.2,1.0415277777777776,9.636957108843536,0.2918055555555557,0.30228316326530613,1.8136989795918366,0.2918055555555557,0.30228316326530613,1.8136989795918366,6.5,0.5,0.0,0.0,0.42683,0.7,0.42683,0.42683,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.23077,0.07692,0.0,6.0,0.46154,6.0,0.46154,0.0,0.0,-6.0,-0.46154,0.0,0.0,16.57918,1.27532,16.57918,0.0,0.0,6.34606,0.48816,6.34606,0.0,0.0,0.06794,0.00523,0.06794,0.00523,0.0,12.0,0,0,0,0,0,0,1.0,0.9011701959974223,1.2626702891849813,2.3671245644328076,2.837471211143644,2.6067186289714543,2.715043162152086,36.947978035894316,51.76948185658423,97.05210714174511,116.33631965688942,106.87546378782963,111.31676964823554,0.16820559001959007,0.23568045407615068,0.4418295076543171,0.5296208433810462,0.4865503175189945,0.5067693528334923,4.4563818086206615,4.094881715433102,2.990427440185276,2.5200807934744396,2.7508333756466294,2.6425088424659977,0.16933152420137976,0.23725805134383451,0.444787024970676,0.5331660181334522,0.4898071868869594,0.5101615643323624,6.683794723801698,11.02179584205241,15.9592746080981,13.954670167125107,16.20074350385877,12.485533579226415,51.50405783451427,42.20503369534106,34.49685690634757,39.193150345810494,34.10234978249634,43.44016766986076,13.0,10.083333333333334,8.333333333333334,13,0,9,2.8899999999999997,1.9403000000000015,0.3750000000000001,6.743009661679981,0.75,0.0,12.438118486383672,4.95289087334194,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.103,0.084,0.08800000000000005,0.024999999999999994,6.0329999999999995,12.0,12.0,12.0,12.0,9.0,6.0,3.0,0.0,0.0,91.0,2.5649493574615367,2.5649493574615367,2.5649493574615367,2.5649493574615367,2.5649493574615367,2.302585092994046,1.9459101490553132,1.3862943611198906,0.0,0.0,4.5217885770490405,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,0.75,12.0,1.0,1,4.0,8.0,1.0,1.5,0.666666666666667,0.375,0.24000000000000005,0.1666666666666667,0.12244897959183672,0.09375,0.0,0.0,0.0,0.125,0.05555555555555558,0.03125,0.020000000000000004,0.013888888888888893,0.013605442176870746,0.015625,0.0,0.0,0.0,0.27492488662131526,48.37543649587077,64.95715523463397,96.75087299174155,7.4423748455185805,48.37543649587077,5.551115123125783E-16,4.2700885562506023E-17,-45.6655714544159,3000041.854926007,230772.45037892362,19.388377837630184,0.0,233.40425883706678,4.700439718141093,3.8918202981106265,4.574710978503383,5.293304824724492,6.013715156042802,6.748759547491679,7.482681828154651,8.223358899479258,8.962007209588313,9.704609693426455,85.89496843552166,3.2188758248682006,0.0,4.290459441148391,0.0,5.53338948872752,0.0,6.8679744089702925,0.0,8.259716961021523,8.55371796609861,184.219100896,4.493148802341463,24.67835469387988,1.8983349764522983,0.0,0.0,0.0,300.0,12.0,7.676,48.0,1.2359999999999998,2.1342767706579573,2.8716684090498754,3.5733813941856463,4.541056914799568,5.383459505611783,6.108067329183634,6.880832837296685,7.7500998907817324,8.417651685361255,75.34690914569995,71.73951471196179,73.27432427812464,94.28215978786423,113.40276479572839,110.07846564933196,89.99398253436101,78.92684263486062,38.022902387444915,8.552872842034898,282.8961702235399,327.8297611247087,349.1629658582554,450.3382484670395,551.8665264136748,603.2433686442456,551.3742416540166,555.5220767295209,468.2925157139044,261.6521336963587,8.990608851600005,15.18485700016191,20.11994866750446,25.10053446169708,31.84297864372323,37.709447121622986,42.34891185714232,47.552038273295864,53.15381016790038,56.55368981263894,2.141810781920999,2.7361948932682716,3.0426845513022327,3.904261671502994,4.830447622272818,5.4718815021854255,5.2945254534882835,5.559409700271089,5.264124991932381,3.7425965678355473,177.23011822064137,330.1094878348066,468.06374320335163,577.4109856969068,737.8414720332745,876.5364473833123,1027.8692527933654,1169.1215094001952,1346.7028629278607,1556.572385214966,2.3743624999999993,3.381360514824377,4.097642243470747,5.186705699618336,6.575981128220582,8.005050709143191,8.474556335359653,9.65251309686292,10.468361513154715,8.417651685361255,0.44399024999999986,0.5777285114969585,0.6486012033407502,0.8311371186303894,1.0301422297900096,1.173127880364545,1.1472320828491815,1.212410640037822,1.167643028054571,0.8619675325809928,534.269587745298,380.03732401792706,13.201249074500389,170.79762607585377,-121.4919850415035,-10.258284186386229,363.4719616694443,501.52930905943055,23.459533260886616,0.7577569588717559,0.5390086456556293,0.01872339092744856,0.2422430411282441,-0.17231262872523992,-0.014549370592331011,376.69596966095276,267.95185719336615,9.30776790391705,120.42380634456914,-85.66001539481394,-7.232779849880921,0.04200542306792564,0.09161234765038032,0.5891419618885253,6.0848510778141565,705.0672138211519,0.0,1.0,0.0,744.9788297537992,27.294300316252826,9.065281831960075,1016.2158400438526,31.87814047343183,10.053763233611221,1398.847413829521,37.401168615826975,11.183818612705428,2.4669937166023472,2.4669937166023472,1942.8987030434287,1549.8484625481847,507.20546538458325,1.2536055943488889,3.830594967209681,3.0556619916802914,6.267674814430136,5.6454556919422,11.281711498940464,0.9983703910816152,8.153584244619173,11.388712192956074,4.826440391929123,45.99915727050089,21.664896742218232,11.76269870720782,16.073820992825688,31.313073029004865,31.983973840035247,14.50169808517335,9.935528639718685,28.32132633585802,7.852132254405231,16.934328845968967,3.625175840394795,5.791133763090987,1.35302674403092,6.373321977471683,0.7661005762923466,2.342103724657197,0.34640345823415597,0.017048723176411977,7.836303603535253E-23,6.948258438477839E-65,1.1882739552933633E-128,3.919521923166262E-214,2.49E-321,0.0,0.0,0.0,0.6577987600508319,11.381755149506775,0.3362708792133793,13.421117195953757,1.2989634559997472,1.3661159521811195,2.498548082844652,3.341054827451551,7.813048028705636,1.5055381088554711,0.4350390589828829,3.0880677217575054,0.7015214105151966,3.9528717274674197,0.16480391702065908,0.9309211351984928,0.09207139641888872,0.1593641469587978,0.7640433583061131,0.1725811108295406,0.0024397560529623627,1.2007555132518267E-4,5.519172701729797E-25,4.89371523085324E-67,8.369110626690027E-131,2.7605513385687943E-216,2.0E-323,0.0,0.0,0.0,2.140899758589118,11.382232281351538,1.1308437096773027,16.351854618170492,2.9226699548569286,2.729818732426305,4.505427725989798,7.069552648258489,10.795903288440073,3.203898936501968,1.587755288439781,6.554052889672403,1.5327157103432874,5.776958949060197,0.6238828189202932,1.6014984892058624,0.30543351372413075,0.7618775748903476,0.7641928898215516,0.5729109544686589,0.025424074963971706,0.0012512798235450972,5.75140348565447E-24,5.099628577976618E-66,8.721258534832019E-130,2.8767073344156376E-215,1.8E-322,0.0,0.0,0.0,7.67808876072112,11.3879527036061,4.508407726474477,42.68904620377649,19.521870710729093,10.857908839496224,14.97243111740349,28.89976763188857,29.814067012266488,13.368435884748681,9.075665009219772,26.18058711497436,7.192070650233169,15.847506290723782,3.3258630925799246,5.379860514171781,1.2602571086209848,5.7573388713134594,0.7658789796673794,2.1942463614614605,0.3086392504247493,0.015190105412771425,6.98200542952523E-23,6.190773175417914E-65,1.0587307010257747E-128,3.492223468261761E-214,2.223E-321,0.0,0.0,0.0,3.1729421173087777,11.382839798494933,1.7125074249469088,19.46800217788128,4.789516821837505,3.891160831508905,6.10997161384022,10.217305075721875,13.4228161662377,4.653161165315606,2.612597732940704,9.433553734646544,2.289888859918102,7.274306528354521,1.01244174937778,2.1572875366161957,0.46497207544140134,1.3732000389280077,0.7643758230657999,0.8603487147732032,0.05522446804366455,0.0027179469810430634,1.249281691149376E-23,1.1077074717534544E-65,1.8943738930022338E-129,6.248592735050703E-215,3.95E-322,0.0,0.0,0.0,9.93298812062893,11.391902999901946,6.052963183069681,59.74889491110088,30.617168705715994,15.417383866888498,20.458701603623492,41.044251558727176,40.80180977337293,19.081030282319983,13.43514914195122,36.92420747676822,10.548455422444441,21.290009204450616,4.832713267972389,7.44303048736113,1.7141950233086984,8.921501139245146,0.7670296581645376,2.906630623779616,0.5051968616351228,0.024863960486977373,1.142851233761804E-22,1.0133381924263194E-64,1.7329858879400545E-128,5.716254362102766E-214,3.636E-321,0.0,0.0,0.0,5.165758353573127,10.528180883411311,2.695499987475809,25.851108168315363,9.326176893056216,6.292048462370651,8.979182943994548,17.06639809822693,19.08721835594401,7.594775856891211,4.9519754884033285,16.230457393143684,4.065523377640545,11.07079659943706,1.8015779782085781,3.871677422028104,0.9293529827682795,2.9377724799967746,1.1908132460229675,1.7024890246261197,0.13488123434657803,0.006638363635538592,3.0512685519301433E-23,2.7054850777407475E-65,4.626853596163087E-129,1.5261677683547868E-214,9.7E-322,0.0,0.0,0.0,9.329405003092603,3.036627076510527,0.7657943132988594,0.710442304364862,0.23124179269929154,0.45721696887136637,0.39244931508264796,0.470530231808575,13.131826392901988,37.799760884755116,72.62648185061367,0.565663456547293,1.3201965157625892,8.104352487485585,2.4454331440372474,0.3097709320022674,0.7462876076087996,0.22518720076019752,0.3452003359896814,0.2554166756860489,0.07695253519790896,10.8595565635251,23.086669111358916,40.08546803290647,0.6194314114131996,0.6775695468736394,8.602370548296769,2.6857544092973984,0.495212173565635,0.7300453557887858,0.22792816495041984,0.38884214195223993,0.30761119024380373,0.1967371109066417,11.783337131159803,28.693871526228822,51.91851872670206,0.5950680336831787,0.8931904431026854,9.300207067415164,3.022535048143032,0.7549305296105278,0.7111515420024628,0.23112178520997353,0.45436430822196283,0.3888445577661378,0.45727596768285744,13.077672645168724,37.41301604780217,71.71193823757122,0.5667273130036942,1.300484833670958,8.819409043049491,2.7904941832149746,0.5760040047792907,0.723738403373196,0.2289935521670602,0.40867412373344847,0.33186381588675873,0.26619060207983897,12.185907231043757,31.29786038745149,57.6595197273519,0.5856076050597939,1.0067285417000462,9.420459847780121,3.080574052878093,0.7996719493923123,0.7082676629334175,0.23160981737419525,0.4661704419103339,0.40379707444968993,0.5130759892667861,13.300705850050527,39.01715032201008,75.5246753428763,0.5624014944001263,1.38304350562681,9.338045943056276,3.03118175838904,0.7566926418145332,0.7114202813101297,0.2309309883893627,0.4580628954017432,0.3909844419895421,0.45942756837319704,13.12592034325985,37.66501810820313,72.20936167419691,0.5671304219651945,1.3084749057644822 +UMLCN0264,L,2-methylheptadecane,CCCCCCCCCCCCCCCC(C)C,Alkanes,,C18H38,Marquardt (2015),IQT,PubChem,,91,0,-2.8642000000000003,8.203641640000003,62.4691,57.018133999999954,0,0,56,18,38,0,18,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2635.3646099999964,2912.5594010000023,3299.1415130000037,3102.7323750000005,2848.5740779999974,2642.6727729999975,2445.9160439999982,2249.1593149999962,2052.4025859999942,8804.486519863294,11559.77875181832,15716.803364845298,16665.317037358727,15436.355160644462,14149.803115810953,13143.004770855825,12136.206425900695,11129.40808094556,391.0309199999998,398.6587880000003,766.7124200000011,1068.9958680000027,1064.1821360000035,940.8310600000032,877.9461600000027,815.0612600000021,752.1763600000015,67.09549038426202,89.72598377999994,133.35840989152692,151.35314204003424,142.31954089337296,129.29649589033562,120.2749670309396,111.25343817154364,102.2319093121477,9309.169186541463,7974.160866620205,16820.94329456491,25131.303810279132,25507.378149326876,22364.16412607007,20885.208971031494,19406.253815992914,17927.298660954337,83.27777777777777,100.91666666666667,167.6666666666667,215.41666666666669,206.16666666666666,184.91666666666666,172.66666666666666,160.41666666666666,148.16666666666666,47.06008232142851,52.95562547272731,30.547606601851886,20.279296568627455,18.618131228758152,19.575353874074057,19.412032095238082,19.223583888888857,19.003727648148097,157.22297356898738,210.1777954876058,145.5259570819009,108.9236407670505,100.8912102002906,104.81335641341447,104.30956167345893,103.72826005043329,103.05007482357001,6.982694999999997,7.248341600000005,7.099189074074084,6.986901098039233,6.955438797385644,6.969118962962987,6.967826666666688,6.966335555555574,6.9645959259259405,1.1981337568618218,1.631381523272726,1.2348000915882122,0.989236222483884,0.9301930777344638,0.9577518214098935,0.9545632304042826,0.9508840869362704,0.9465917528902565,166.23516404538327,144.98474302945826,155.7494749496751,164.2568876488832,166.71488986488154,165.66047500792644,165.7556267542182,165.86541723070866,165.99350611994757,1.4871031746031744,1.834848484848485,1.5524691358024696,1.4079520697167758,1.3474945533769063,1.369753086419753,1.3703703703703702,1.371082621082621,1.3719135802469136,0.07847487477547838,-0.005562049665623436,-0.029653607124926963,-0.011730160775247585,0.004917989326576449,2.7959930555571545E-6,2.496517781890549E-8,-3.787551869360861E-15,-8.515330367914187E-13,1478.7348242142843,-55.7459556747475,-560.2391334846974,-239.50686219260473,106.39602066453975,-6.331258123725775,-6.485679053572653,-6.640099983419304,-6.794520913266069,2749.770549864786,-103.66198501475142,-1041.7885917825324,-445.373237556422,197.84794369850223,-11.77324483546899,-12.060397148529223,-12.347549461589683,-12.634701774649916,0.2896739999999996,-0.010920250000005703,-0.10974700000000501,-0.04691775000000056,0.020842250000001308,-0.001240249999999555,-0.001270499999999509,-0.0013007499999994352,-0.001330999999999389,12.292753764941379,-0.4634173046306939,-4.657279726316515,-1.991025594133662,0.8844723625777503,-0.05263188224338017,-0.05391558668834112,-0.0551992911333003,-0.05648299557826125,66.77443355176989,-2.517290153738469,-25.298417389915407,-10.815282627276016,4.804467911150023,-0.2858972196763885,-0.29287032259532975,-0.29984342551427456,-0.3068165284332156,4.704365079365081,-1.1709537981859413,-0.6203231292517013,-1.0762117346938855,0.33450255102040694,0.025191326530612485,0.022321428571429935,0.01945153061224647,0.016581632653062783,0.0014013370495621139,-1.0112817573860792E-4,-2.7457043634191634E-4,-7.666771748527833E-5,3.214372108873496E-5,2.0711059670793738E-8,1.9813633189607533E-10,-3.237223819966548E-17,-7.884565155476099E-15,26.405979003826506,-1.0135628304499544,-5.187399384117568,-1.56540432805624,0.6953988278728088,-0.04689820832389462,-0.051473643282322644,-0.056752991311276105,-0.06291223067838952,49.10304553329975,-1.8847633639045713,-9.646190664653078,-2.9109361931792286,1.2931238150228905,-0.087209221003474,-0.09571743768673986,-0.1055346107828178,-0.11698797939490663,0.0051727499999999925,-1.985500000001037E-4,-0.0010161759259259722,-3.066519607843174E-4,1.3622385620915887E-4,-9.18703703703374E-6,-1.0083333333329436E-5,-1.111752136751654E-5,-1.2324074074068418E-5,0.2195134600882389,-0.008425769175103525,-0.043122960428856626,-0.013013239177344196,0.005780865114887257,-3.8986579439540865E-4,-4.2790148165350095E-4,-4.7178881310513076E-4,-5.229906997987153E-4,1.192400599138748,-0.045768911886153986,-0.2342446054621797,-0.07068812174690206,0.031401751053268125,-0.002117757182788063,-0.002324367639645474,-0.0025627643206348255,-0.0028408937817890334,0.08400651927437644,-0.021290069057926204,-0.005743732678256493,-0.0070340636254502325,0.0021862911831399146,1.8660241874527767E-4,1.7715419501134868E-4,1.6625239839526898E-4,1.5353363567650725E-4,-0.0721654906435309,-0.19593461574980367,-0.054710404973047175,0.02293789427659759,1.4779499105704425E-5,1.4139091802217635E-7,-2.3100965046047326E-14,-5.6264587865851745E-12,-0.038383838383840206,-0.1964479098982037,-0.05928219240912811,0.026334900431907417,-0.001776045050899214,-0.0019493177387917928,-0.0021492477632831563,-0.00238249945852312,-0.038383838383841164,-0.19644790989820402,-0.05928219240912758,0.026334900431907934,-0.0017760450508987706,-0.0019493177387913357,-0.0021492477632827963,-0.0023824994585227915,-0.03838383838385849,-0.19644790989821154,-0.059282192409128194,0.026334900431909346,-0.0017760450508982175,-0.0019493177387906724,-0.0021492477632819207,-0.0023824994585217602,-0.038383838383835675,-0.19644790989820066,-0.05928219240912699,0.02633490043190743,-0.0017760450508988942,-0.0019493177387914858,-0.0021492477632828687,-0.00238249945852289,-0.03838383838385534,-0.19644790989820943,-0.0592821924091274,0.026334900431909468,-0.001776045050897899,-0.0019493177387904096,-0.002149247763281794,-0.002382499458521713,-0.2534335339902611,-0.06837246356436576,-0.0837323541816564,0.02602525615897973,0.002221284971179551,0.0021088148460566445,0.00197904162476089,0.0018276395332491521,1.5897987289601911,1.378563049281404,1.0574707314557934,0.9027358233015785,0.9584207603774043,0.9571200569702691,0.955602533519291,0.9538319212576382,1.5555555555555582,1.4175871778210982,1.0595115239078106,0.9123571455872814,0.9672947801602789,0.9649122807017562,0.962163242864999,0.9589560320554489,1.5555555555555576,1.4175871778210973,1.05951152390781,0.9123571455872808,0.9672947801602784,0.9649122807017554,0.9621632428649984,0.9589560320554483,1.5555555555555551,1.4175871778210982,1.0595115239078106,0.9123571455872809,0.9672947801602781,0.9649122807017552,0.9621632428649978,0.9589560320554474,1.5555555555555522,1.4175871778210918,1.0595115239078061,0.9123571455872769,0.9672947801602743,0.9649122807017515,0.9621632428649947,0.9589560320554448,1.5555555555555542,1.4175871778210942,1.0595115239078075,0.9123571455872787,0.9672947801602763,0.9649122807017535,0.9621632428649964,0.9589560320554463,1.8363559679460137,1.0644828717371944,1.0506859850646286,0.7832386434118142,0.8443694643610289,0.8582876423450018,0.8743470784803553,0.8930830873049344,220.31396931081008,110.15698465540497,175.36693857814146,220.31396931080985,12.239664961711659,110.15698465540497,-1.2789769243681803E-13,0.03277857261779338,0.0018210318120996322,-6.152364451649051,141.50659208187412,7.861477337881896,8.914223345668558,220.31396931081008,110.15698465540497,175.36693857814146,220.31396931080985,12.239664961711659,110.15698465540497,-1.2789769243681803E-13,0.03277857261779338,0.0018210318120996322,-6.152364451649051,141.50659208187412,7.861477337881896,8.914223345668558,220.31396931081008,110.15698465540497,175.36693857814146,220.31396931080985,12.239664961711659,110.15698465540497,-1.2789769243681803E-13,0.03277857261779338,0.0018210318120996322,-6.152364451649051,141.50659208187412,7.861477337881896,8.914223345668558,220.31396931081008,110.15698465540497,175.36693857814146,220.31396931080985,12.239664961711659,110.15698465540497,-1.2789769243681803E-13,0.03277857261779338,0.0018210318120996322,-6.152364451649051,141.50659208187412,7.861477337881896,8.914223345668558,220.31396931081008,110.15698465540497,175.36693857814146,220.31396931080985,12.239664961711659,110.15698465540497,-1.2789769243681803E-13,0.03277857261779338,0.0018210318120996322,-6.152364451649051,141.50659208187412,7.861477337881896,8.914223345668558,220.31396931081008,110.15698465540497,175.36693857814146,220.31396931080985,12.239664961711659,110.15698465540497,-1.2789769243681803E-13,0.03277857261779338,0.0018210318120996322,-6.152364451649051,141.50659208187412,7.861477337881896,8.914223345668558,241.51735886714368,120.64216708789289,192.54023870204242,241.31022580815892,13.406123656008827,120.64216708789289,-0.23302469135792592,0.022952127938115685,0.0012751182187842047,-6.793820327085859,140.8305798526792,7.823921102926622,8.90560369187292,0,11.89,12.110335656157307,-0.16472188831265056,0.05621409039745656,5.126990424461126,7.650625710528145,17.0,55.0,55.0,55.0,17.0,0.0,0.0,0.0,0.0,0.0,41.54186599999999,3.55771258540485,3.501058818057265,3.396031826725635,3.2449753207201892,3.053988147986006,2.8314393383530683,2.587528977867819,2.3338576758530323,1.9594581405978826,1.917003816511986,1.8420581321933136,1.736123802313342,1.604272668453829,1.4541881085664135,1.295406814309025,1.2496297225843553,3.585217531243013,3.5294392921528424,3.426453985181295,3.278572436968374,3.0919096257382233,2.874891096497052,2.637792248372719,2.4054545878412896,1.901361144886661,1.8567512936304835,1.7776148665183493,1.6656711132328197,1.5262975402565018,1.3674218506582678,1.1988137505006549,1.1345406859483504,3.7053617453693524,3.653638598445888,3.55975730913232,3.42588694343192,3.2580780752932545,3.0648115345574745,2.8564344457404918,2.704236987233519,1.7291979059819804,1.6783151381690213,1.586253240348325,1.4551461592232418,1.2910001187744318,1.1022663881751518,0.8992577313230026,0.7603185604308974,3.605436327558322,3.5503156774828284,3.448845230690343,3.303313042789137,3.1198398484265426,2.906883505523419,2.674761475400855,2.457539916041696,1.8642618952609167,1.8182803613335288,1.7364121244792177,1.620493686957742,1.4760783322399913,1.3112402069791314,1.135893152126791,1.0582626705327123,3.763429920403493,3.7137696712124546,3.62431590366468,3.4971443851326702,3.338178163291868,3.155803967918485,2.9602620414980603,2.838982085149649,1.6750394284788053,1.6222622048356599,1.5260673452348816,1.3886635560880474,1.216141847056278,1.0170012689837529,0.8016108753064344,0.6313372621875631,3.6211625732412016,3.5771656362080453,3.48882277554056,3.356080589017497,3.183313340464837,2.9786364425075362,2.753163921465888,2.7138783286651975,1.8326498468475625,1.7752715785350082,1.6787119309049705,1.546641313718679,1.386508504615434,1.2079417215701886,1.0213031645168598,0.8365792890446027,0,0,0,0,0,3,14,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.2886751345948129,0.20412414523193154,0.14433756729740646,0.2886751345948129,0.20412414523193154,0.14433756729740646,13.476845205801295,8.770055610029663,6.425162671831452,3.8850278050148317,2.570352810727639,1.6925139025074158,1.1083997100671825,0.7212569512537077,0.7487136225445163,0.515885624119392,0.37795074540185014,0.25900185366765544,0.1835966293376885,0.13019337711595508,0.09236664250559855,0.06556881375033706,13.476845205801295,8.770055610029663,6.425162671831452,3.8850278050148317,2.570352810727639,1.6925139025074158,1.1083997100671825,0.7212569512537077,0.7487136225445163,0.515885624119392,0.37795074540185014,0.25900185366765544,0.1835966293376885,0.13019337711595508,0.09236664250559855,0.06556881375033706,28.294728271931554,53.86890021849971,50.78431372549014,51.44000000000004,33.17253532934137,430.79415209580844,0.5052630048559206,0.9619446467589234,0.9068627450980381,0.9185714285714293,0.5923667023096674,7.692752715996579,7.1237000000000075,85.15000000000008,110.15698465540497,175.36693857814146,220.31396931080985,12.239664961711659,110.15698465540497,0.03277857261779338,0.0018210318120996322,-6.152364451649051,141.50659208187412,7.861477337881896,8.914223345668558,415,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,14.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.600000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.96050417516748,0.0,20.472173372073353,0.0,0.0,0.0,0.900655786092502,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2928243083891604,0.0,1.3718344907407407,0.0,0.0,0.0,0.900655786092502,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.33383993338916,0.0,1.4842451131687242,0.0,0.0,0.0,0.900655786092502,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,28.333333333333332,1.574074074074074,0.2,2.33383993338916,0.2,0.900655786092502,13.25730407810102,0.43267754724083124,0.3338399333891602,1.9210083503349613,0.43267754724083124,0.3338399333891602,1.9210083503349613,9.0,0.5,0.0,0.0,0.42857,0.7,0.42857,0.42857,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.16667,0.05556,0.0,8.5,0.47222,8.5,0.47222,0.0,0.0,-8.5,-0.47222,0.0,0.0,24.48423,1.36024,24.48423,0.0,0.0,8.77005,0.48722,8.77005,0.0,0.0,0.14395,0.008,0.14395,0.008,0.0,17.0,0,0,0,0,0,0,1.0,0.9059282160429993,1.2095138163107082,2.0903046927853257,2.6460545921111986,2.7073581121205077,2.6280852788913944,50.73198009840796,67.73277371339967,117.05706279597824,148.17905715822712,151.61205427874842,147.1727756179181,0.1559967021478377,0.20827275627957748,0.35994092333600813,0.4556385183314532,0.4661947045525613,0.45254428464658697,4.901426706014606,4.597841105746896,3.717050229272279,3.161300329946406,3.099996809937097,3.17926964316621,0.15669812309441852,0.20920923039630704,0.3615593556469698,0.45768724369824876,0.46829089457745254,0.45457909715310857,6.698383050008051,10.341410253220557,13.788367369000552,14.798064447299549,14.678785250016615,14.522807495620642,71.26744542347804,61.11904461291351,56.75605833545272,52.130975443207596,53.44398376949131,54.73953700326655,18.0,15.058823529411764,17.066666666666666,18,0,17,3.44,2.6448000000000014,0.3750000000000001,6.106427501309028,1.2164403991146802,0.0,23.267138275621512,2.3156360189017344,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.103,0.084,0.08800000000000005,0.024999999999999994,8.528,17.0,15.0,14.0,13.0,12.0,11.0,10.0,9.0,8.0,144.0,2.8903717578961645,2.8903717578961645,2.772588722239781,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,4.976733742420574,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,0.8235294117647058,17.0,1.0,2,8.0,16.0,1.0,1.5,0.44444444444444464,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.08823529411764706,0.026143790849673214,0.016666666666666666,0.01142857142857143,0.008547008547008548,0.006802721088435374,0.005681818181818182,0.004938271604938271,0.004444444444444445,0.004132231404958678,0.1986682559087972,110.15698465540497,175.36693857814146,220.31396931080985,12.239664961711659,110.15698465540497,0.03277857261779338,0.0018210318120996322,-6.152364451649051,141.50659208187412,7.861477337881896,8.914223345668558,0.0,319.88418196640134,5.169925001442312,4.23410650459726,4.890349128221754,5.579729825986222,6.248042874508429,6.940222469119639,7.613324979540639,8.30622521603216,8.981807323377534,9.674891664210184,97.46869998559382,3.5553480614894135,0.0,4.634728988229636,0.0,5.831882477283517,0.0,7.0825485693553,0.0,8.36287583103188,8.69433468816865,254.29735121599998,4.541024128857143,34.66155735943671,1.9256420755242618,0.0,0.0,0.0,954.0,15.0,10.521000000000003,68.0,1.2397272727272728,2.141682255476593,2.874371203719359,3.5832090726891566,4.860839424516364,5.903535527599749,7.174884732911478,8.300349912669086,9.562386610962042,10.72094249081109,77.22180975787273,73.36262193652564,70.40996322426375,86.47446183236639,114.63172195006557,137.1164931529095,159.27606195460862,180.5718687080758,201.01019594907171,220.07293417090324,287.59902829030216,334.151872286363,343.9746350421505,426.0021864888945,567.905413351686,688.3800611489066,810.1158612854949,928.857094769607,1045.9837913429683,1158.4206836930623,9.022993228436372,15.254375154377735,20.137918306652956,25.101386946782398,34.01942889509282,41.332678486306015,50.15172317720374,58.00859217041829,66.75757731993033,74.81668230147712,2.1691573263116353,2.781171026990199,3.020593299856348,3.7511858254600035,5.020566134929971,6.103521671124873,7.239496226546329,8.330927685924728,9.438132314148596,10.496903387421721,177.43632193628335,329.9697186346048,468.4037532294288,584.0526935472049,794.7520653737328,963.8232467624842,1177.6156363242576,1362.9282738370907,1575.5036668618206,1768.4306262044718,2.3372621212121207,3.4119733295462957,4.144534604881612,5.095608515503136,6.883117374962079,8.390405167120354,10.101618683075198,11.695908056818526,13.411480432140653,15.044083877814394,0.4493499545454541,0.5868652567921925,0.64461239784463,0.8008604146504515,1.0727259421140107,1.3045364931042853,1.5497024059964926,1.784332457916811,2.023754712233255,2.252342522315977,741.7522784605128,724.1098473293533,18.740035603159487,184.69793002089656,-180.3049263118626,-10.942476530133806,557.0543484396162,904.4147736412159,29.682512133293294,0.800639118724314,0.7815960757527138,0.020227784970632375,0.1993608812756857,-0.19461912217323513,-0.011811186861375056,687.1965530213026,670.851719021721,17.361709891496147,171.11343577394442,-167.0435365718503,-10.137659662645396,0.030103420524300383,0.06675359475895483,0.45018174160536323,4.433743850415446,926.4502084814096,0.0,1.0,0.0,1055.386675484549,32.48671536927901,10.181314874118693,1423.4940465924797,37.72922006340019,11.24912005388737,1840.4229093270153,42.90015045809298,12.25479009521124,4.347753632355982,4.347753632355982,10199.992579952072,10130.777511524218,154.1674219727247,1.0068321575860408,66.16178988681963,65.71282948038501,7.885359913813785,10.582349022805118,21.159791535562274,0.9995363496292374,10.598221030567618,16.124884111871342,5.863499867771326,74.26990641679512,29.069518901431252,3.2285224948830673,13.195236240571314,12.907745505245586,53.39400169518927,3.856632240408034,3.1612121591635547,53.649712803756884,7.369140201104362,60.802167966082926,3.71519279587791,2.573766078133762,26.6496187065791,6.406858026234112,54.486035470325156,5.869510646150893,3.185378554145147,17.217588595277967,5.498175159778122,42.45796855706847,7.74499271549834,4.161688434642522,10.72729425426924,4.259419962146421,28.204008103125272,8.679838822440212,0.8894352509415687,16.12407916936981,0.4057478853133729,17.47955795490883,0.7058592890546004,0.09061677173689076,1.7867673613380273,0.5260701079227099,13.995540244056757,0.14840426015747663,0.03313146929962115,3.9276960924865314,0.2745858850823942,12.70398954856936,0.1306105295675891,0.11829033961049548,1.8550047408613017,0.0998186584144824,10.334155157213559,0.2563973018770676,0.2668166255005791,0.7025050813053757,0.07245553429528431,7.605548730073275,0.3409563387282464,0.34189796542941536,0.3614401507737701,0.06246488828456764,5.042238170757736,0.36880726865660457,2.87120541253123,16.124134453384205,1.3666922399307018,21.859520255551768,2.6146784348023635,0.4109942754333297,3.932156959056051,2.025152318891299,19.138338390393525,0.5943223789131081,0.2520179733566496,12.051803203812488,1.1129725146497131,20.209099284138034,0.5410106918436678,0.413117292583172,4.751841734863842,0.6107481941790581,17.314984599838912,0.9833140945911553,0.7834619743739232,2.187400421581034,0.4901974669197064,12.919211976486228,1.3042754739508238,0.9736988485456348,1.362702822047982,0.39602718640142764,8.456899873291153,1.4275262377927138,10.00385612208111,16.124796265527557,5.475218783824465,68.2418191924099,25.96021450161582,2.9231686599094227,12.431964657136024,11.785976204920777,49.956391216267924,3.5195920500677205,2.821265131015679,49.889312046423164,6.719102663583653,57.03945623211025,3.3820856563976225,2.350430377369002,24.36606235341781,5.746055643307573,51.064407835378944,5.377708396526635,2.9787249651232903,15.539277141086181,4.922001151005409,39.687385754315684,7.097857769158169,3.8755215540054957,9.698385225916967,3.8174208332626165,26.321512410191783,7.945432226115198,4.2316285003938905,16.124204774989085,2.0718087297641627,27.007666230883622,5.077315306879641,0.7259783790728643,5.459331792778028,3.35954338496484,23.52956071226248,0.9927765747703383,0.5268709920592174,18.23007675866924,1.8695499561737388,26.04782634056832,0.9181350402970323,0.6767876207969767,7.383046768619524,1.1920358121709675,22.71030271890993,1.6066817448121673,1.1616078600198212,3.766781979966447,0.9817691547606624,17.101468661403846,2.1282771577146247,1.4513248562255077,2.380994722371166,0.7803340986367847,11.190859302477527,2.343661754436676,12.798886760168239,16.125253158796664,7.362626177435156,99.48614909546997,42.14070010809223,4.487701142777985,16.094923406029963,17.47418810224204,67.28649147922097,5.229465634559669,4.588434740749027,68.38626453807096,10.020863670924529,75.66277298244341,5.077592790156707,3.483578699178341,35.97393567868323,9.165401631070004,67.97079099445524,7.8586705934884895,3.9822944648978322,24.189255324996736,7.908549269616362,53.439390149685494,10.361161455655182,5.280643341452909,14.984600730042272,6.1060706846078805,35.701502533530494,11.655180462575201,6.903917810514422,15.152954742058514,3.3266966074315687,41.22337137240012,12.161545573537296,1.6508167885238874,8.129769469959543,6.463061929721091,32.78180787098051,1.9893427026087558,1.2943472889732657,30.43881138523878,3.76016733244409,37.58624891874583,1.7745655536788405,1.259857479117324,13.829444783000385,2.7311595845143173,33.68779239404093,2.9334311129485022,1.8289612059284819,8.064008621984225,2.3075969223510886,26.167873649141786,3.877649015680783,2.3327879438857466,5.126798965474128,1.804313113603989,17.655821033799185,4.310773709525015,41.87132953116456,0.9446543162614646,0.5946379728387241,0.9645411140279584,0.021760902669689133,0.57509879120606,0.4909972036622381,0.47468898631501794,43.41062182026475,65.01394200934969,131.94483387252026,0.9468116710419375,1.540784981183316,39.671058853407445,0.4391424617863666,0.16716119485081618,0.9849467884972365,0.010902959737665308,0.5162583091887921,0.1047376633014467,0.03704961492630977,40.277362510044625,24.12611562411176,67.31563450595343,0.9774201827458547,0.6580455874165486,40.55987423301488,0.6433950412852472,0.33989939567985245,0.9763307790800357,0.015487384854929924,0.5396433093741025,0.22614746347426748,0.15408047400991992,41.54316866997998,40.10098828304389,90.51417904574588,0.9644961686200536,0.9198712468582899,41.818339416023164,0.93248443999478,0.5843480927838745,0.9649976574554564,0.021517958694070957,0.5736442186310343,0.4783039411202323,0.45829823842779455,43.33517194880182,63.97631319706544,130.09811028097982,0.9474964861831847,1.510246398179061,40.94963739451137,0.7329435167139013,0.41562392238872914,0.9727169497216769,0.017410327105650606,0.550062276201269,0.2941514070787389,0.23088363506022647,42.098204833614005,47.33804901370126,101.91069517580044,0.9590754245825155,1.0750973183402344,42.03675526796738,0.9826450765461179,0.6267596064161884,0.9631260875006709,0.022513895326665204,0.5796516148797912,0.5317057558529809,0.527724147587258,43.646159950929686,68.27003302622995,137.8058840337392,0.9446891312510064,1.63908151832003,41.931034600751914,0.9360706740328439,0.5865127996959019,0.9649607203911307,0.021541835076388665,0.5767397884511746,0.4816426564591233,0.4609692352698153,43.45361807448066,64.39251775119332,130.86700475238965,0.947441080586696,1.5193516801801132 +UMLCN0265,L,"2,2,4,6,6-pentamethylheptane",CC(CC(C)(C)C)CC(C)(C)C,Alkanes,,C12H26,NREL (2014),Unknown,PubChem,,9,0,3.8881999999999977,15.118099239999982,56.2981,38.45661799999996,0,0,38,12,26,0,12,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1757.5871159999972,1901.689618999999,2863.286345,2442.534874000004,2394.777348999992,1682.9416859999972,1607.7504329999917,653.7827519999993,82.301184,5890.380176196138,7641.837944876107,11586.285175506617,13861.157770892358,12701.641589017598,10673.225490706967,8674.448209197013,6195.777284008002,2517.7832989053513,265.16625600000015,268.00410800000014,510.477668,706.0802320000001,1052.1833800000031,635.9391600000014,800.6437800000012,384.3521280000005,544.1955839999997,45.02673552607405,59.630052060000025,93.27081473152684,122.31192375394274,121.24517445399346,98.23035674728182,85.15905901640987,60.13139274000007,36.013645292768985,6329.391225710475,5375.924157525401,11308.531576900532,15118.416037527517,26455.764365978903,14195.372022027874,20539.943745824574,8268.617576496603,14978.32981396417,63.40277777777778,74.75,118.41666666666666,180.25,198.06250000000003,156.0,148.5,108.0,81.0,46.25229252631571,51.39701672972971,39.76786590277778,24.672069434343474,15.652139535947658,18.699352066666634,13.741456692307622,12.107087999999987,1.016064,155.01000463674046,206.5361606723272,160.9206274375919,140.01169465547835,83.01726528769672,118.59139434118853,74.14058298458986,114.73661637051856,31.083744430930263,6.978059368421056,7.243354270270274,7.089967611111111,7.132123555555557,6.877015555555576,7.065990666666682,6.843109230769241,7.117632000000009,6.718463999999996,1.1849140927914223,1.6116230286486493,1.2954279823823172,1.235473977312553,0.7924521206143363,1.0914484083031313,0.7278552052684605,1.1135443100000013,0.4446129048489998,166.5629269923809,145.29524750068651,157.06293856806295,152.71127310633855,172.9134925880974,157.7263558003097,175.55507475063737,153.12254771290006,184.917652024249,1.6684941520467838,2.02027027027027,1.6446759259259258,1.8207070707070707,1.29452614379085,1.7333333333333334,1.2692307692307692,2.0,1.0,0.0497442723760886,-0.01249863955136336,0.029856352586978847,-0.08116314568650218,0.06552616373335565,-0.0642919060730358,0.06918008683899135,-0.0761763848231456,0.04469533678667653,994.0156528421055,-56.676331083104046,404.1123015096942,-1493.7063825096973,1127.154726451526,-1169.0750896786724,1125.8132748282574,-1412.5485593019393,977.918233362885,1848.4145524483527,-105.3920578150377,751.4640808705356,-2777.610801823537,2095.992345067109,-2173.945050551605,2093.497858491605,-2626.694364005554,1818.4807135423061,0.1947208421052631,-0.011102504155120284,0.0791628254847681,-0.292606825484757,0.220801872576171,-0.22901378393351374,0.2205390914127359,-0.27670856509694897,0.19156746814403544,8.263273075602317,-0.4711515350123866,3.3593940810056893,-12.417212644646634,9.370061001045645,-9.718545864220529,9.358909485424048,-11.742545949540121,8.12945488814312,44.886230494633914,-2.5593026159226966,18.248281965597943,-67.45049616164044,50.89832007168262,-52.791295379316864,50.83774486183834,-63.785695966059166,44.15932797650342,5.682748538011707,-3.797456909818404,5.938827331486623,-10.148257156048027,8.961565096952949,-8.630193905817173,10.091932132964022,-9.634695290858733,4.376904432132965,0.0013090597993707525,-3.378010689557665E-4,4.1467156370803953E-4,-8.19829754409113E-4,4.282755799565729E-4,-7.143545119226199E-4,5.912827934956526E-4,-0.0014106737930212148,5.517942813169942E-4,26.15830665373962,-1.531792731975785,5.612670854301308,-15.08794325767371,7.367024355892326,-12.989723218651916,9.622335682292798,-26.15830665373962,12.073064609418333,48.64248822232507,-2.848433995001019,10.437001123201883,-28.05667476589431,13.699296372987641,-24.154945006128948,17.893144089671836,-48.64248822232507,22.450379179534643,0.005124232686980608,-3.000676798681158E-4,0.0010994836872884458,-0.0029556244998460305,0.001443149493961902,-0.002544597599261264,0.001884949499254153,-0.005124232686980536,0.0023650304709140176,0.2174545546211136,-0.012733825270605043,0.046658251125079014,-0.125426390349966,0.061242228765004215,-0.10798384293578366,0.0799906793625987,-0.21745455462111335,0.10036364059435951,1.1812165919640503,-0.06917034097088369,0.2534483606333048,-0.6813181430468732,0.33266875863844847,-0.5865699486590763,0.4345106398447721,-1.1812165919640587,0.5451768885988076,0.14954601415820282,-0.10263397053563254,0.08248371293731421,-0.10250764804088916,0.05857232089511731,-0.09589104339796858,0.0862558301962737,-0.17842028316405062,0.05403585718682673,-0.2580486155927658,0.31677052790664456,-0.6262737231738337,0.3271627317273353,-0.5457004426123242,0.4516850901539214,-1.07762364538221,0.4215195375965516,-0.058558558558560146,0.21456552706552645,-0.5767935767935773,0.28163231104407627,-0.4965811965811973,0.3678500986193301,-1.0,0.46153846153846334,-0.058558558558558585,0.2145655270655273,-0.5767935767935768,0.28163231104407566,-0.49658119658119665,0.3678500986193292,-1.0,0.46153846153846145,-0.05855855855853553,0.21456552706553675,-0.5767935767935621,0.28163231104406783,-0.4965811965811875,0.36785009861931867,-0.9999999999999859,0.46153846153844025,-0.058558558558555296,0.2145655270655286,-0.5767935767935752,0.28163231104407477,-0.4965811965811961,0.36785009861932805,-0.9999999999999989,0.46153846153845873,-0.058558558558572005,0.2145655270655209,-0.576793576793585,0.2816323110440808,-0.496581196581201,0.3678500986193362,-1.000000000000007,0.46153846153847444,-0.6863036177417432,0.5515607580824973,-0.685458911211419,0.3916675494483885,-0.6412143040905569,0.5767845480991874,-1.1930794957550797,0.3613326472858239,1.7861863352546918,0.7141655455656042,1.9631095599303592,0.4103045753033877,1.8126060127903039,0.2142196880803479,2.595712874144481,0.0,1.5833333333333341,1.001424501424502,1.8662911162911175,0.500712250712251,1.6523504273504284,0.34664694280078906,2.2532051282051295,0.0,1.5833333333333341,1.0014245014245018,1.8662911162911167,0.5007122507122509,1.6523504273504277,0.3466469428007892,2.253205128205129,0.0,1.5833333333333313,1.0014245014245002,1.866291116291118,0.50071225071225,1.6523504273504277,0.34664694280078856,2.2532051282051273,0.0,1.5833333333333335,1.0014245014245016,1.8662911162911153,0.5007122507122506,1.652350427350425,0.34664694280078895,2.253205128205125,0.0,1.5833333333333313,1.0014245014244998,1.8662911162911118,0.5007122507122499,1.6523504273504237,0.34664694280078856,2.2532051282051238,0.0,2.297401595060453,0.2562173055484087,2.0730309267098526,0.21543531227772778,2.021102392590683,0.03130256674120831,3.2554669410856643,0.0,72.38259584782027,36.19129792391014,54.70200777898947,72.38259584782028,6.031882987318357,36.19129792391014,1.4210854715202004E-14,3.885780586188048E-16,3.23815048849004E-17,-42.580845121418086,3000026.7519505015,250002.22932920847,17.89695811669135,72.38259584782027,36.19129792391014,54.70200777898947,72.38259584782028,6.031882987318357,36.19129792391014,1.4210854715202004E-14,3.885780586188048E-16,3.23815048849004E-17,-42.580845121418086,3000026.7519505015,250002.22932920847,17.89695811669135,72.38259584782027,36.19129792391014,54.70200777898947,72.38259584782028,6.031882987318357,36.19129792391014,1.4210854715202004E-14,3.885780586188048E-16,3.23815048849004E-17,-42.580845121418086,3000026.7519505015,250002.22932920847,17.89695811669135,72.38259584782027,36.19129792391014,54.70200777898947,72.38259584782028,6.031882987318357,36.19129792391014,1.4210854715202004E-14,3.885780586188048E-16,3.23815048849004E-17,-42.580845121418086,3000026.7519505015,250002.22932920847,17.89695811669135,72.38259584782027,36.19129792391014,54.70200777898947,72.38259584782028,6.031882987318357,36.19129792391014,1.4210854715202004E-14,3.885780586188048E-16,3.23815048849004E-17,-42.580845121418086,3000026.7519505015,250002.22932920847,17.89695811669135,72.38259584782027,36.19129792391014,54.70200777898947,72.38259584782028,6.031882987318357,36.19129792391014,1.4210854715202004E-14,3.885780586188048E-16,3.23815048849004E-17,-42.580845121418086,3000026.7519505015,250002.22932920847,17.89695811669135,103.09237667799658,51.31065593159087,79.51020942546506,102.69982266565088,8.558318555470908,51.31065593159087,-0.4710648148148451,1.4432899320127035E-15,1.2027416100105862E-16,-41.006221454658686,3000026.39488135,250002.19957344583,17.896957973864957,0,11.890000000000002,12.110197633080848,-0.15933589022033964,0.06201034871357644,6.576014969243893,9.528265706062408,11.0,37.0,37.0,37.0,11.0,0.0,0.0,0.0,0.0,0.0,28.423381999999993,3.654886328187568,3.454645884474344,3.056034808461727,2.333552793103049,2.3335527931030486,2.333552793103048,2.3335527931030464,2.241324737507762,1.990990994827116,1.852281462558275,1.6080307296126486,1.2496297225843567,1.2496297225843562,1.2496297225843562,1.249629722584356,1.143190025139098,3.676590809907333,3.4800415362617296,3.093051310069639,2.405454587841291,2.40545458784129,2.4054545878412896,2.4054545878412896,2.3112481578393447,1.9398323341838744,1.7918314804114677,1.5284732998388701,1.1345406859483531,1.134540685948351,1.1345406859483493,1.1345406859483491,1.0290798323281203,3.7735949260914006,3.594509756804681,3.2575092054275374,2.7042369872335206,2.7042369872335206,2.70423698723352,2.7042369872335192,2.603891648995314,1.7932787234980405,1.6178612602806919,1.2904625650606956,0.7603185604308983,0.7603185604308983,0.7603185604308978,0.7603185604308957,0.6591153248072849,3.692662398134744,3.4989083267264856,3.120448039007336,2.457539916041695,2.457539916041694,2.4575399160416933,2.4575399160416924,2.362037484164042,1.9076057722139457,1.753638122894764,1.4773792069170026,1.0582626705327125,1.0582626705327118,1.0582626705327116,1.0582626705327114,0.9535137397539092,3.821805963642184,3.651737860213558,3.3378606929148824,2.838982085149651,2.8389820851496506,2.838982085149649,2.8389820851496483,2.736693510460707,1.7487672748373306,1.5650988523181306,1.2156940647168195,0.6313372621875627,0.6313372621875618,0.6313372621875617,0.6313372621875605,0.5322273352274176,3.642297198065127,3.500430735388453,3.159788352814572,2.6198314269883687,2.619831426988366,2.6198314269883647,2.6198314269883642,2.453947201879616,1.9489596252495247,1.7380216554998351,1.4148972178319323,0.8918314269883656,0.8918314269883655,0.8918314269883648,0.8918314269883637,0.8363630038036337,0,0,0,0,0,7,2,1,2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.409995478154456,0.7071067811865475,0.0,0.0,3.409995478154456,0.7071067811865475,0.0,0.0,1.5134200059864023,3.437212753073034,2.4289742326275543,1.5134200059864023,3.437212753073034,2.4289742326275543,9.99156383156272,5.1009536313038994,6.634740349546046,1.9216682964502654,2.162939058824731,0.43301270189221935,0.6495190528383291,0.0,0.8326303192968934,0.46372305739126357,0.3902788440909439,0.19216682964502654,0.1663799276019024,0.07216878364870323,0.07216878364870323,0.0,9.99156383156272,5.1009536313038994,6.634740349546046,1.9216682964502654,2.162939058824731,0.43301270189221935,0.6495190528383291,0.0,0.8326303192968934,0.46372305739126357,0.3902788440909439,0.19216682964502654,0.1663799276019024,0.07216878364870323,0.07216878364870323,0.0,19.04376144921635,36.54187909686818,34.43137254901961,34.879999999999995,22.381208383233552,292.62462155688627,0.5011516170846408,0.9616283972860047,0.9060887512899898,0.9178947368421051,0.5889791679798303,7.700647935707534,4.494900000000004,57.30800000000005,36.19129792391014,54.70200777898947,72.38259584782028,6.031882987318357,36.19129792391014,3.885780586188048E-16,3.23815048849004E-17,-42.580845121418086,3000026.7519505015,250002.22932920847,17.89695811669135,105,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9999999999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.324861111111108,0.0,2.675138888888889,0.0,0.0,0.0,0.8518518518518516,0.0,0.0,0.0,0.0,0.0,0.9814814814814813,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3255555555555554,0.0,1.3375694444444446,0.0,0.0,0.0,0.8518518518518516,0.0,0.0,0.0,0.0,0.0,0.4907407407407406,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3715277777777777,0.0,1.3375694444444446,0.0,0.0,0.0,0.8518518518518516,0.0,0.0,0.0,0.0,0.0,0.4907407407407407,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.833333333333332,1.736111111111111,0.2,2.3715277777777777,-0.0,0.4907407407407406,8.944256944444444,0.7592592592592594,0.3715277777777778,4.649722222222222,0.7592592592592594,0.3715277777777778,4.649722222222222,6.0,0.5,0.0,0.0,0.42632,0.7,0.42632,0.42632,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.58333,0.08333,0.16667,5.5,0.45833,5.5,0.45833,0.0,0.0,-5.5,-0.45833,0.0,0.0,17.91494,1.49291,17.91494,0.0,0.0,5.10095,0.42508,5.10095,0.0,0.0,0.81305,0.06775,0.81305,0.06775,0.0,11.0,0,0,0,0,0,0,1.0,0.8997437586982626,1.4094296943364375,2.0966527533730357,2.4236298152211635,2.423629815221164,2.2855264596042275,34.19026283053398,53.55832838478462,79.67280462817536,92.09793297840422,92.09793297840423,86.85000546496065,0.17144744404212792,0.26856881897204365,0.39952014352371534,0.46182608449003254,0.4618260844900326,0.4355102950163484,4.348183754745323,3.8384978191071477,3.1512747600705495,2.8242976982224217,2.8242976982224213,2.9624010538393577,0.1727136602536098,0.2705523200640598,0.40247077883571797,0.4652368770995904,0.4652368770995905,0.4387267337267526,6.679290298877863,12.795521526535962,14.686185152786386,15.01572082060674,15.015720820606742,13.358480553203506,47.55009264780696,34.81626782152415,33.595129243852334,33.72448316542409,33.72448316542409,32.89586303172246,12.0,3.8062283737024223,9.0,12,0,7,2.7800000000000002,1.7994000000000003,5.3789832405854305,5.200980011979319,2.729838563103603,6.003565913573894,0.4999999999999999,2.0,2.3094010767585034,0.0,0.9999999999999998,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.20500000000000002,0.178,-0.07000000000000006,-0.017000000000000015,4.71,17.0,10.0,13.0,6.0,9.0,0.0,0.0,0.0,0.0,78.0,2.4849066497880004,2.8903717578961645,2.3978952727983707,2.6390573296152584,1.9459101490553132,2.302585092994046,0.0,0.0,0.0,0.0,4.3694478524670215,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.36363636363636365,11.0,1.0,1,3.0,6.0,1.0,6.5,1.1111111111111116,1.375,0.2400000000000001,0.4999999999999998,0.0,0.0,0.0,0.0,0.0,0.5909090909090909,0.06535947712418304,0.1375,0.01846153846153847,0.0833333333333333,0.0,0.0,0.0,0.0,0.0,0.8955634398281457,36.19129792391014,54.70200777898947,72.38259584782028,6.031882987318357,36.19129792391014,3.885780586188048E-16,3.23815048849004E-17,-42.580845121418086,3000026.7519505015,250002.22932920847,17.89695811669135,0.0,216.10827421120015,4.584962500721156,4.04305126783455,4.709530201312334,5.631211781821365,6.311734809152915,7.234898420314831,7.919719760924575,8.842604480678025,9.528866827722945,10.451464441932911,87.67308199169446,3.1354942159291497,0.0,4.51085950651685,0.0,5.978885764901122,0.0,7.492760300922379,0.0,9.031572493381526,9.275659838096825,170.203450832,4.479038179789473,21.862875652522845,1.8219063043769037,0.0,0.0,0.0,211.0,10.0,7.059000000000003,56.0,1.2348918918918919,2.1295409165122434,2.9638815352635945,3.451539053282021,4.191752527827244,4.758934669677726,6.318517514132903,6.534823962695462,0.0,0.0,74.78950626099994,96.91164860626236,77.55700556379215,61.6477574107445,91.66297930433913,81.90087889528311,76.4988475731483,6.639799374832202,0.0,0.0,281.49802323071873,376.81314460290383,426.2355499672461,308.48468033571436,534.4585654262278,406.6361764610315,724.9653200494702,203.1267979575447,0.0,0.0,8.980981063891896,15.172540013032423,21.158635100235816,23.786725438019783,29.701215285415785,32.71471781277266,44.972882451152785,43.903979539706825,0.0,0.0,2.1336807281832413,2.96455028534059,3.7262397109576355,2.8696594400107376,4.8013043798658,3.8125138427511986,7.035949225498038,2.9054670647308827,0.0,0.0,177.16881441328835,329.1854705025129,451.27277955576955,593.1802776515456,655.2634487371225,824.3578653800705,967.5074995326098,1208.4043035734435,0.0,0.0,2.5302049549549546,3.6879078105338317,5.42974618769814,4.5589249386921775,7.357446587424348,6.388727310399809,12.637035028265807,6.534823962695462,0.0,0.0,0.44239682432432437,0.6201233977217349,0.7915885458860128,0.6204300598765808,1.0253009031699116,0.8259422272222999,1.5164442033918968,0.6691659737800155,0.0,0.0,379.3710057655632,239.59782775614022,9.12658527602205,95.47810583065586,-60.300725167786624,-5.728228519692004,283.89289993490735,299.89855292392684,14.854813795714055,0.7989295894232518,0.5045767632390111,0.019219969150500813,0.2010704105767481,-0.12698923446457333,-0.01206326047538848,180.14398505314182,113.77281565038712,4.333750910226205,45.33769373057673,-28.63374577453125,-2.7200442235958735,0.04725776423022204,0.09877200193386818,0.0376357874899436,0.5404868497207129,474.84911159621913,0.0,1.0,0.0,682.8972606076493,26.13230301002285,8.80613063078039,934.7601987341272,30.573848281401006,9.777625614009699,1418.7641770931136,37.666486126172074,11.236647010423898,1.8335446730158158,1.8335446730158158,1151.4844846045874,1118.9924086446536,261.13499638180525,1.0290369047268952,4.40953721469413,4.285110858938936,5.067504030166714,4.466158665423347,8.836778876532481,0.9786083609044471,7.251431253806321,10.520379933031494,4.624235215693153,48.63098058930137,8.288658165413331,29.124045994972104,16.20143159508724,27.797314182622376,24.935109121830543,12.855788617967436,10.870441691416058,4.340518291031808,7.656700854862203,12.630164525186714,3.599756839068498,0.3205392905210769,0.13932910995207265,1.5778104362607236E-19,3.446397419078224E-59,1.4519504420343953E-120,1.1798156019634413E-203,1.8490658661802625E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6085610799475651,10.440491397153188,0.24870265911643724,20.23078300424227,3.0405772431492775,3.3401383716379143,0.8638696370640084,1.4088144681247146,5.530294532572831,1.9391078882602726,0.26418116484610304,2.2000805994296955,0.5680977475577517,1.2426591350058247,0.1206754370096043,0.0022576508080957227,9.81306313676862E-4,1.1112647912704614E-21,2.4273258818235872E-61,1.022620568239026E-122,8.309537752587714E-206,1.3023122084905E-310,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.96451020422469,10.456715973692598,0.8946822109308166,24.314417261296118,3.43217964198242,7.0376028225811975,2.7180628582366015,4.915428518909474,7.883580737925999,3.457293226943803,1.278541005656613,2.4449702998839067,1.8829630605912784,2.4948163900415183,0.5091025806097064,0.023525940922206126,0.01022596837965762,1.1580235914695827E-20,2.529460716669373E-60,1.065649476565307E-121,8.659179006924674E-205,1.357109730046205E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.844758688416129,10.515460071928253,4.26893125347089,46.28617844803368,7.726939302137264,26.99172302428409,14.810882957970138,25.516803550058192,23.178426909727513,11.936252554103515,9.814088423819202,4.14155217418104,7.176019765407424,11.553694099841893,3.2729534217673817,0.2855947827153417,0.12413972854974938,1.405800692531117E-19,3.0706780530364185E-59,1.2936617036012088E-120,1.0511944604891376E-203,1.647484397030775E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.895327451999705,10.467878096226029,1.4115138202587914,27.626463389165302,3.902802429022401,10.04064959753602,4.369936605006726,7.880772935532401,9.97638255078519,4.71033570742593,2.3165053967633047,2.670093896619919,2.8247911064912103,3.6727638439974286,0.8712732046505921,0.05110132403920299,0.022212169782285754,2.515381983459243E-20,5.494326679911311E-60,2.3147330622456956E-121,1.880889389992962E-204,2.947823679656997E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.757157641676683,10.538629053002188,6.0390440043459925,58.00097938834204,10.641446293961998,37.647933972720125,21.862758473217312,36.99610519829851,32.085066688577484,16.545663545402707,15.243812078779314,5.1543297420898915,9.489495765646522,17.04655696332662,4.938992938723578,0.46747621393830374,0.20319841249619847,2.301088236179779E-19,5.026246737875419E-59,2.1175332631208977E-120,1.7206501745377132E-203,2.6966887877054743E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.5649427560561024,8.055779142422828,1.8099786130336017,33.785537066260346,4.428099841543198,16.771249862493832,6.509652826766244,12.15166245001227,14.360595247172595,7.113796364609691,4.389887920112864,3.813133221753376,4.380531346583841,6.3416259826452706,1.60567576103362,0.10634753009776889,0.04622605478345887,5.2347963530083795E-20,1.1434319501120971E-59,4.817223098564037E-121,3.914345011570228E-204,6.13475676817823E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.704900669495198,1.4461854044143945,1.207834560122965,0.7164181567170957,0.15452480696924814,0.5671408900614261,0.6151380801760064,0.4867653033020168,9.358920634032557,19.541692948877273,40.61241700968084,0.5746272350756436,1.669044273539449,5.902618567142671,0.8644287621907745,0.6724075928082371,0.7934208391497876,0.11619517440962211,0.43953726652410124,0.2197711696105738,0.15125852161504813,7.439454922141683,9.652607266815934,20.522950159604445,0.6901312587246813,0.8105669577497232,6.229391694385399,1.101203093843077,0.8906671958819119,0.757717210134555,0.1339457489581798,0.4895505499191551,0.3567270056526162,0.26518571030263216,8.221261984110388,13.388945710795582,27.720029154057535,0.6365758152018324,1.1114632658744035,6.685838955659291,1.4323480639045685,1.1951283267393964,0.7178795849872203,0.15379572264490238,0.5639207647345075,0.603431274656445,0.47661800561298734,9.313315346303256,19.27872375256517,40.03712395131835,0.5768193774808303,1.6439700450039398,6.371533225117097,1.204279433914441,0.9855239617623275,0.7442217853742428,0.14066488531585994,0.5121464515681545,0.4266306450155242,0.32451741078563345,8.561336620793865,15.139251330809024,31.262618195096533,0.6163326780613642,1.2632945073693123,6.76432665142806,1.489327854335012,1.24744321832412,0.7119521183619796,0.15675324026604487,0.5772386563071962,0.652357099015135,0.519075738149144,9.501097724087193,20.37026543739695,42.4384804978374,0.5679281775429695,1.748671493471475,6.700944157589242,1.4365224347943957,1.1978062024096408,0.717809142259525,0.15388114159830574,0.5664717563217218,0.6069214503313762,0.4786065147770573,9.335272794793278,19.373164572939746,40.23858768794034,0.5767137133892876,1.6519997214301554 +UMLCN0266,L,"10,13-dimethyldocosane",CCCCCCCCCC(C)CCC(C)CCCCCCCCC,Alkanes,,C24H50,Creton (2011),Unknown,PubChem,,56,0,-2.6402,6.970656040000001,87.43759999999999,75.57964999999993,0,0,74,24,50,0,24,0,0,0,0,0.0,0.0,0.0,0.0,0.0,3513.1421039999964,3923.4291830000057,4582.458744000015,4591.950911000036,4413.483334000042,4337.792614000043,4086.516020000005,3832.3577230000024,3626.456418000003,11718.59286353046,15477.71955876053,21423.213448258484,23658.279165605334,23210.98822040694,22429.31728889104,21699.30876213424,20470.34688541994,19183.794840586455,516.8955839999994,529.3134680000005,1023.1131840000006,1448.7477080000024,1506.795160000003,1443.9339760000032,1383.4203680000026,1378.6066360000034,1255.2555600000028,89.16424524244972,119.82191549999986,180.4909750454704,211.50875219701493,210.49025562490104,202.47515105035396,196.46078633701484,187.42718519035384,174.40414018731664,12288.947147372452,10572.397575714996,22371.62340104839,33825.19794001945,35674.760521417295,34201.272279067154,32526.079585472027,32902.15392451977,29758.939901262962,110.05555555555556,133.75,223.1666666666666,292.9444444444444,298.3333333333333,286.41666666666663,280.16666666666663,270.91666666666663,249.66666666666663,47.47489329729725,53.74560524657542,31.82263016666677,22.18333773429969,20.43279321296316,20.95551987439634,20.638969797979822,19.355342035353548,20.146980100000015,158.3593630206819,212.0235555994593,148.77231561290614,114.2912036985765,107.45827879818027,108.354189801406,109.59246849562747,103.38559033040373,106.57663800325808,6.985075459459452,7.250869424657541,7.104952666666671,6.998781198067644,6.975903518518533,6.975526454106296,6.986971555555568,6.9626597777777945,6.973642000000016,1.2049222330060774,1.6413961027397241,1.2534095489268777,1.0217814115797823,0.9744919241893567,0.9781408263302124,0.9922261936212871,0.9466019454058274,0.9689118899295369,166.06685334287096,144.82736405089037,155.3584958406138,163.40675333342728,165.1609283398949,165.22353758003456,164.2731292195557,166.17249456828168,165.32744389590533,1.4872372372372373,1.832191780821918,1.5497685185185182,1.4151905528717121,1.3811728395061726,1.3836553945249597,1.4149831649831648,1.368265993265993,1.3870370370370368,0.10297987277337274,-0.007218327167374729,-0.03705975642360148,-0.010472149099258707,-0.001071932053655173,0.008253032847381186,-0.011638452089563418,0.004900848994366263,-5.112631213033945E-5,1963.2325783783747,-55.27118745433988,-679.1723514389996,-233.55392970708476,-4.421694996348384,116.55588010372581,-240.18647220160722,109.92333760920374,-4.775430596054781,3650.714812527936,-102.77913323560954,-1262.949989198878,-434.3035054002885,-8.222330658845827,216.7406361672,-446.6370013885553,204.4071401789332,-8.880117111553172,0.3845837837837834,-0.010827246165115639,-0.1330452008765809,-0.045751611395184966,-8.661796932051937E-4,0.0228324967129306,-0.04705088093499116,0.021533227173124492,-9.354740686614961E-4,16.32039380836217,-0.4594705464065593,-5.645974074244156,-1.9415387408956712,-0.036757643712507504,0.96893148826224,-1.9966752064644677,0.913795022693441,-0.039698255209517586,88.65263819106495,-2.4958513004259486,-30.669020779613145,-10.546469255072289,-0.19966810403365254,5.263251222334598,-10.84597141112297,4.963749066283927,-0.2156415523564419,6.198198198198203,-1.5228471714958218,-1.219016313610906,-0.5852000649297847,-0.3352812271731085,1.1798149500852235,-1.11589968346724,0.2962624786949185,-0.01363525687849379,0.0013916199023428749,-9.888119407362642E-5,-2.573594196083436E-4,-5.0590092266950274E-5,-4.962648396551727E-6,3.9869723900392206E-5,-5.87800610584011E-5,2.4751762597809408E-5,-2.840350673907747E-7,26.530169978086143,-0.7571395541690394,-4.716474662770831,-1.1282798536574143,-0.020470810168279556,0.5630718845590619,-1.2130629909172082,0.5551683717636553,-0.026530169978082115,49.333983953080214,-1.4079333319946512,-8.77048603610332,-2.0980845671511523,-0.038066345642804755,1.0470562133681158,-2.25574243125533,1.032359293832996,-0.04933398395307318,0.005197078159240316,-1.4831844061802244E-4,-9.239250060873673E-4,-2.2102227727142495E-4,-4.010091172246267E-6,1.1030191648758744E-4,-2.3763071179288463E-4,1.0875367259153784E-4,-5.197078159230534E-6,0.22054586227516446,-0.006294117074062457,-0.0392081532933622,-0.009379414207225465,-1.70174276446794E-4,0.004680828445711304,-0.010084218214467009,0.004615126377239601,-2.205458622750977E-4,1.1980086242035803,-0.03418974384145135,-0.21297931096953573,-0.050949126836098015,-9.243893705261692E-4,0.025426334407413518,-0.05477763338950995,0.0250694397287067,-0.0011980086242024549,0.08375943511078653,-0.020860920157477012,-0.008465391066742402,-0.002827053453767076,-0.001552227903579206,0.0056995891308464905,-0.005635856987208282,0.0014962751449238308,-7.575142710274328E-5,-0.07105474268308039,-0.18493513866470557,-0.03635338369462728,-0.0035660947275881964,0.028649866125994,-0.04223858897062436,0.017786295349856915,-2.0410391293814123E-4,-0.0285388127853849,-0.1777777777777763,-0.04252818035426727,-7.71604938271726E-4,0.02122383252818048,-0.045723905723905854,0.02092592592592596,-9.999999999998482E-4,-0.02853881278539528,-0.17777777777778123,-0.04252818035426787,-7.716049382715228E-4,0.021223832528180442,-0.04572390572390597,0.020925925925926354,-9.999999999998573E-4,-0.028538812785471542,-0.17777777777781625,-0.04252818035427293,-7.716049382702458E-4,0.02122383252818173,-0.045723905723907825,0.020925925925931222,-9.999999999981178E-4,-0.028538812785386062,-0.1777777777777761,-0.04252818035426673,-7.71604938271187E-4,0.021223832528180737,-0.045723905723905243,0.020925925925926146,-9.999999999996973E-4,-0.02853881278540897,-0.17777777777778642,-0.042528180354267725,-7.716049382705325E-4,0.021223832528181167,-0.04572390572390526,0.02092592592592772,-9.999999999990607E-4,-0.2490575554847617,-0.10106791020671808,-0.03375205969366678,-0.018531976744185448,0.06804712953600732,-0.06728623443739651,0.017863959361052815,-9.043927648574605E-4,1.5855386773483346,1.3654466700313173,1.0462407664690592,0.9681914454171002,0.929129433277984,1.0403420817554536,0.9202236271111944,0.9633323591271787,1.5416666666666707,1.406770833333337,1.0656119162640931,0.979529320987657,0.9568760064412264,1.0458417508417537,0.9321632996633021,0.9753611111111136,1.541666666666665,1.4067708333333317,1.065611916264089,0.9795293209876532,0.9568760064412227,1.0458417508417497,0.9321632996632987,0.97536111111111,1.5416666666666667,1.4067708333333353,1.0656119162640911,0.9795293209876553,0.9568760064412253,1.0458417508417521,0.9321632996633011,0.9753611111111126,1.5416666666666643,1.406770833333333,1.06561191626409,0.9795293209876542,0.9568760064412234,1.0458417508417506,0.932163299663299,0.9753611111111101,1.5416666666666627,1.406770833333329,1.0656119162640874,0.9795293209876513,0.9568760064412208,1.0458417508417475,0.9321632996632968,0.9753611111111082,1.8329699612403085,1.0905200258397922,0.9656633852001639,0.9178543550818254,0.8297434979215811,1.1004338442565178,0.8922436575052847,0.9487524224806194,360.3616081686597,180.18080408432974,279.27047548963037,360.3616081686595,15.01506700702748,180.18080408432974,-2.5579538487363607E-13,5.551115123125783E-17,2.3129646346357427E-18,-89.83187460056892,229.31778996649157,9.554907915270482,13.044261049582593,360.3616081686597,180.18080408432974,279.27047548963037,360.3616081686595,15.01506700702748,180.18080408432974,-2.5579538487363607E-13,5.551115123125783E-17,2.3129646346357427E-18,-89.83187460056892,229.31778996649157,9.554907915270482,13.044261049582593,360.3616081686597,180.18080408432974,279.27047548963037,360.3616081686595,15.01506700702748,180.18080408432974,-2.5579538487363607E-13,5.551115123125783E-17,2.3129646346357427E-18,-89.83187460056892,229.31778996649157,9.554907915270482,13.044261049582593,360.3616081686597,180.18080408432974,279.27047548963037,360.3616081686595,15.01506700702748,180.18080408432974,-2.5579538487363607E-13,5.551115123125783E-17,2.3129646346357427E-18,-89.83187460056892,229.31778996649157,9.554907915270482,13.044261049582593,360.3616081686597,180.18080408432974,279.27047548963037,360.3616081686595,15.01506700702748,180.18080408432974,-2.5579538487363607E-13,5.551115123125783E-17,2.3129646346357427E-18,-89.83187460056892,229.31778996649157,9.554907915270482,13.044261049582593,360.3616081686597,180.18080408432974,279.27047548963037,360.3616081686595,15.01506700702748,180.18080408432974,-2.5579538487363607E-13,5.551115123125783E-17,2.3129646346357427E-18,-89.83187460056892,229.31778996649157,9.554907915270482,13.044261049582593,403.2848754686856,201.4792432898983,314.6454657029536,402.98568565387075,16.791070235577944,201.4792432898983,-0.326388888888971,1.1657341758564144E-15,4.85722573273506E-17,-82.52502075003271,227.4108018154198,9.475450075642492,13.024219395780843,0,11.890000000000002,12.110491665894921,-0.17050525290417368,0.050237341318211434,5.120140717944574,9.052196834865141,23.0,73.0,73.0,73.0,23.0,0.0,0.0,0.0,0.0,0.0,54.66034999999999,3.611914032417029,3.5239874699820426,3.465388305173883,3.378406490855475,3.232749894124257,3.1441755820523096,2.9128094420143995,2.8378997767931398,1.9836310385687455,1.933393829930182,1.891072902615448,1.8235574317096825,1.7288213150086322,1.6632673954614767,1.509663217298085,1.470598693404272,3.6368905480857996,3.5519276007913265,3.494513228322819,3.4085528774915663,3.2667919230852513,3.179570988055874,2.9543034649059208,2.882013252476547,1.9289344645031021,1.8740823099617083,1.8295747032408876,1.7589123757960692,1.6578552022425825,1.5888459235626133,1.4260180460392702,1.3824451646204814,3.746767629440243,3.674177748748478,3.621844560934704,3.5410856058711966,3.4158633553325233,3.3351794995154824,3.1357348052767744,3.07493024409538,1.7687251702073092,1.698464211715508,1.6471165700196333,1.5675051361613397,1.445433886457595,1.3661333560624103,1.171561863062429,1.1129893755233495,3.655291370676035,3.5724786548402125,3.5159308834988106,3.4307661327735612,3.2918497679799055,3.2056635004137317,2.984851929025421,2.914499707954568,1.8941716364728791,1.8362162865280276,1.7902790424394877,1.7176230200418063,1.612318722213827,1.541081755115986,1.3719640558702613,1.325356084638266,3.800353929205677,3.733357652755823,3.683410168277186,3.605497379974479,3.487857694131987,3.41057424862455,3.2228149587941606,3.1673946146337717,1.718912454286267,1.6432963948876889,1.5896977120439666,1.5075274186958647,1.3782260132072308,1.2958153054800974,1.0900319529410467,1.0263533890648031,3.6615925405362075,3.58713257400866,3.5439055674031366,3.4721277378611446,3.3475257979253787,3.2813872808439,3.0579446749204395,3.0184891092586037,1.8699083029783994,1.8004373270239649,1.7450350955320006,1.661490544951884,1.53933897370968,1.4510910235821022,1.2732409775374585,1.199156669565239,0,0,0,0,0,4,18,2,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5773502691896258,0.0,0.0,0.0,0.5773502691896258,0.0,0.0,0.0,0.8164965809277261,0.8130525295851416,0.9772838841927124,0.8164965809277261,0.8130525295851416,0.9772838841927124,17.88262259973711,11.7019072626078,8.607684656543617,5.753218857624056,3.757522850350247,2.656969887946064,1.6430591647796071,1.0784849439730317,0.7451092749890463,0.5087785766351217,0.35865352735598405,0.2501399503314807,0.17079649319773849,0.1207713585430029,0.08215295823898036,0.05676236547226483,17.88262259973711,11.7019072626078,8.607684656543617,5.753218857624056,3.757522850350247,2.656969887946064,1.6430591647796071,1.0784849439730317,0.7451092749890463,0.5087785766351217,0.35865352735598405,0.2501399503314807,0.17079649319773849,0.1207713585430029,0.08215295823898036,0.05676236547226483,37.54569509464685,71.19592134013124,67.13725490196067,68.00000000000006,43.96386227544917,568.9636826347303,0.5073742580357683,0.9621070451369086,0.9072602013778469,0.9189189189189196,0.5941062469655294,7.688698413982841,9.3202,112.78200000000011,180.18080408432974,279.27047548963037,360.3616081686595,15.01506700702748,180.18080408432974,5.551115123125783E-17,2.3129646346357427E-18,-89.83187460056892,229.31778996649157,9.554907915270482,13.044261049582593,712,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,18.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.800000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.571064733547697,0.0,26.184239602665865,0.0,0.0,0.0,1.9113623304531004,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3018682687651366,0.0,1.3691226538464023,0.0,0.0,0.0,0.9556811652265502,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.483664098008712,0.0,1.4738483205782313,0.0,0.0,0.0,0.9556811652265502,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,37.66666666666667,1.5694444444444446,0.2,2.483664098008712,0.2,0.9556811652265502,17.56783244382012,0.3776521681067831,0.4836640980087118,3.1421294670953928,0.3776521681067831,0.4836640980087118,3.1421294670953928,12.0,0.5,0.0,0.0,0.42973,0.7,0.42973,0.42973,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.16667,0.08333,0.0,11.5,0.47917,11.5,0.47917,0.0,0.0,-11.5,-0.47917,0.0,0.0,37.21982,1.55083,37.21982,0.0,0.0,11.70189,0.48758,11.70189,0.0,0.0,0.21211,0.00884,0.21211,0.00884,0.0,23.0,0,0,0,0,0,0,1.0,0.9090221560878149,1.2465958046195194,2.2884209322609634,3.046234446242254,3.063937744405865,3.0556537853124373,67.2676395504983,92.24808954184444,169.34314898731128,225.4213490219268,226.73139308603402,226.11838011312037,0.14639326564871313,0.20075773682749168,0.3685382267186366,0.4905801311117026,0.49343115472379767,0.49209706642235684,5.300431209541136,4.962857561009431,3.9210324333679876,3.163218919386697,3.145515621223086,3.1537995803165138,0.14685749934280734,0.20139436792778462,0.36970691341775747,0.4921358299036245,0.49499589451372944,0.49365757563011203,6.7074934957589765,10.75837727813943,15.676278280195756,16.440021709173983,16.682129901210534,16.673781119872118,94.97612660482295,79.83743896607919,66.45632988481368,63.00053130613749,60.03278820079397,60.58673610163383,24.0,19.32638888888889,19.21361058601134,24,0,22,4.1,3.490199999999996,0.5453038740612918,10.57441525942813,1.754765350603323,0.0,27.60653971802369,8.028983345468422,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.121,0.10400000000000001,0.049000000000000044,0.010000000000000009,11.294,24.0,23.0,22.0,22.0,20.0,19.0,18.0,17.0,16.0,228.0,3.1780538303479458,3.2188758248682006,3.1780538303479458,3.1354942159291497,3.1354942159291497,3.044522437723423,2.995732273553991,2.9444389791664403,2.8903717578961645,2.833213344056216,5.43372200355424,1.0,0.47619047619047616,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.0,0.8260869565217391,23.0,1.0,2,11.0,21.0,0.9090909090909091,2.5,1.1111111111111116,0.5,0.4800000000000002,0.27777777777777785,0.20408163265306128,0.15625,0.12345679012345678,0.10000000000000006,0.049586776859504134,0.10869565217391304,0.046296296296296315,0.021739130434782608,0.021818181818181827,0.01262626262626263,0.010204081632653064,0.008223684210526315,0.006858710562414266,0.005882352941176474,0.0030991735537190084,0.2624693130139582,180.18080408432974,279.27047548963037,360.3616081686595,15.01506700702748,180.18080408432974,5.551115123125783E-17,2.3129646346357427E-18,-89.83187460056892,229.31778996649157,9.554907915270482,13.044261049582593,0.0,423.6600897216032,5.584962500721157,4.553876891600541,5.241747015059643,5.958424693029782,6.663132695990803,7.385851078125209,8.099554282376364,8.826294231241318,9.546169544733285,10.276119503549053,113.551169935706,3.8501476017100584,0.0,4.962844630259907,0.0,6.208590026096629,0.0,7.516977224604321,0.0,8.863191340690854,9.170871628065816,338.3912516000014,4.57285475135137,46.46843610960781,1.9361848379003253,0.0,0.0,0.0,2066.0,23.0,13.874000000000008,94.0,1.2421780821917803,2.1462716802810613,2.8819298775278277,3.586676049481583,4.730283375779889,5.823851899243762,6.964560915049803,8.17581132001979,9.390073028971788,10.575935707933954,78.45462111930138,76.55486508518638,76.07759508005883,93.37973871726075,120.2940890867657,143.10094383487058,157.9434909698659,188.99341049885584,212.50899851194603,235.7481148062261,290.6913185259811,342.4930298238908,360.4922873219887,448.24491309990987,576.836857123475,709.4565143491473,792.5396902703475,947.5094401716452,1073.605386142627,1198.4549302139344,9.044287065260283,15.300138076448613,20.226075961760774,25.184614532452613,33.15737021633503,40.87582735864005,48.682028099123706,57.21530576490303,65.67316520145047,73.94078797858118,2.187138615773974,2.830490862825408,3.1236907303966053,3.895207392856008,5.030947809614476,6.230829963890959,7.05471449334263,8.407264380951831,9.56168558219917,10.702307514460674,177.57190794108897,329.79863083641254,467.1067776129183,580.2396913226859,769.73741680186,943.0728043718615,1143.2625803898884,1336.888723003987,1538.392410492289,1734.5838342795869,2.3373687214611865,3.411056745823082,4.174542739663156,5.189012081462169,6.792294613097947,8.5053519566079,9.81400949002106,11.633465069934532,13.321276835480608,15.085811159465285,0.45287414383561586,0.5965511785699478,0.6650532602600507,0.8295616579883285,1.072445081792188,1.3291383546545184,1.5093075036073125,1.7973233441464458,2.0455133914345582,2.290602513704666,898.7966991223436,1156.810366703991,22.731631138484644,196.58552027253953,-253.01847238339286,-11.578037066867134,702.2111788498041,1409.8288390873838,34.30966820535178,0.8205324892153731,1.0560791897307242,0.020752236740744404,0.17946751078462667,-0.23098647020504554,-0.0105698603299067,984.5259230694279,1267.1495068992265,24.89982456693915,215.33628349703218,-277.1519358272239,-12.682375938541147,0.023023942400701873,0.05063135141305355,0.27402317964082773,3.362911672044977,1095.3822193948834,0.0,1.0,0.0,1427.8760903614493,37.78724772143969,11.260651220454465,1912.2278944508325,43.729028052894485,12.412136691661729,2659.1539974444686,51.566985537691345,13.854190753869506,4.795537702201703,4.795537702201703,19867.396552224218,19744.54478038254,245.7769285105751,1.0062220614963855,80.83507541827458,80.33522470980424,9.227807682259655,14.314947604404612,27.362656821135516,0.91147446552415,13.945027671800336,21.81603187290443,7.76723198781429,102.30800784209221,38.93728551917338,12.05282336351343,19.37783184337619,20.423552903155784,77.83933684013248,10.386673462614654,7.194110723864664,79.3441108055277,14.68419217477699,96.89761556886124,6.739824520649669,8.004256284967376,45.13582180037277,11.527686023169084,92.50270520222028,10.552145468332771,9.117351479601561,34.32787878571462,6.494263143588313,79.84744798730489,11.1605304299232,5.664617168074764,21.79523969062839,4.469713308115174,64.02503687431663,7.279036318792948,1.170309540713426,21.814930692804893,0.53730261152317,25.009135753917462,2.256033122290399,0.35497528658267213,2.4941513730860807,1.0614621703931488,19.670909497324022,0.4521103934025367,0.16740568013702264,6.886064199519224,0.6391697467048616,19.53438232741092,0.17928300525921623,0.25315572286042365,5.210505297058206,0.13824700672939727,17.980451218033622,0.46630250120657046,0.5413981125210204,2.1306253640189547,0.20748284107089204,13.582531102883395,0.4404217830241948,0.4976906968420072,0.7250825248770761,0.07833010798801292,10.233133081248527,0.42020256712627324,3.7779018585945603,21.81500624447088,1.8099568317687587,31.572963452556657,4.724051251124127,1.578034121900614,5.595380913699756,3.695658411045676,27.367589773329502,1.7348047712426864,0.8167125327712488,18.443888564623787,2.4541761296441225,31.47220693938878,0.8333179486712275,1.0433543986193334,10.006071462925018,0.9926562568802577,29.621834095828664,1.781547562242685,1.768079115424464,5.110987977274684,0.8921916549759912,23.50757464997749,1.7486982917312202,1.3447018279796308,2.750203174360669,0.4484169320089998,17.716943595391985,1.4821072971906968,13.16296858168651,21.81591166941077,7.252760756854244,94.31603432802171,34.91598542974612,10.924649656474694,18.22214375738676,18.771948027866788,72.800716613097,9.514873090051868,6.486236196823245,73.76476234566842,13.452244914907538,90.79819639437783,6.0958231355298205,7.249568056899667,41.50507353994548,10.310247524436953,86.67748845536157,9.671675074937896,8.407015598649956,31.086132076208663,5.897641292822561,74.51682905147419,10.192964315119955,5.274835319193627,19.70025564233259,4.0146926763948025,59.49507273491707,6.739524427824894,5.567932237361222,21.81510241562032,2.743907113624153,38.81480713888078,7.908634315404209,2.763455547584556,7.826742013386375,5.895298751385129,33.89127882763162,2.836588195711576,1.4955221366421552,27.33774141335189,4.0124466883518295,40.81138089683881,1.4857162037132166,1.8209521746855426,14.29396182803678,2.0157789838801117,38.67334415282077,2.905179787231714,2.7657002381957203,8.223388269960564,1.539946776210452,31.390028831820143,2.908057407493592,1.9878095566579352,4.816101592554265,0.8587357681831982,23.892458009160432,2.311469241085236,16.840640473906415,21.816536871459853,9.753679176846257,135.5999374887112,55.842523852504364,16.69778308653694,23.79543875385762,27.068118693908904,98.17277300267094,13.913871217859457,10.13036428719377,101.30030654133384,19.668053879286116,121.02894128696208,9.399464412982255,11.116640694770378,59.92608566179546,16.62594404095584,115.50492266741342,14.11077311544634,11.957824917077778,47.77333983094986,8.943711157139298,101.0307803749586,15.096437238724212,7.191219392489184,30.46613521984713,6.365847053717774,82.2018194146723,9.412424409048127,9.133802007499808,20.440982819238954,4.431186106650172,57.9514602568468,17.44795692227995,6.285575676669215,11.727501401681389,11.15541385112063,47.73228092595887,5.691441657256977,3.4571230061470355,45.11005347041443,8.186777213769433,59.258503668369876,3.088186244945473,3.70492190521996,25.47076965969163,4.837919194766572,57.01553240074068,5.630404789038931,4.68346367669993,17.282446582879455,3.382505093721622,47.99598603324119,5.486320014078402,3.1924587022898323,10.49426177675383,1.9565146855470745,38.24183489192957,4.003245730109873,61.077696733819984,1.081617414891044,0.6207426805284253,0.9728837439563036,0.01722867849312438,0.5166882506407316,0.3968414295679731,0.4256610274706079,62.78005682923945,104.6476397332129,208.4356343219456,0.9593256159344554,1.3391907076793126,58.16612027285502,0.544582313862809,0.18155324401490497,0.9876701011425888,0.009247095499755342,0.4686171834440139,0.10043321134267794,0.036333189245250065,58.892255830732736,42.335358879626725,106.97853890711409,0.9815051517138833,0.6053835840319419,59.33744560082605,0.7606451134684751,0.3582631293006309,0.9814922969773565,0.012581723261649512,0.4876735747692104,0.19610413793142026,0.14164982983267024,60.45635384359516,66.66566808626614,143.29213442094164,0.9722384454660349,0.825427542533301,61.00710268327106,1.0685978421689124,0.6100963937557808,0.9732205009997944,0.017046889322414986,0.5154949180822169,0.3873361259891209,0.41117480505451626,62.68579691919575,103.06421931475548,205.52345589473197,0.9598307514996915,1.3140058491258542,59.85315224513989,0.855766498985471,0.4360536228497042,0.9788728317009936,0.013995696880021453,0.49618425214792894,0.24828951551905154,0.20992078139540687,61.14497236697507,77.69266650773193,161.17244608619444,0.9683092475514905,0.9543945490623873,61.29823031892193,1.1222897095955164,0.6540006598101076,0.9718382264340482,0.017793075513663083,0.520425084253697,0.42727730368547984,0.4725292927722555,63.07452068832755,109.61743438768242,217.68352047681833,0.9577573396510723,1.4202316807114324,61.10681949157385,1.0739116602248975,0.6123741817948545,0.973145366309546,0.01710238177455395,0.5171807026569907,0.39072844183628463,0.4135664574081528,62.7931053335936,103.70120033374779,206.68033621564828,0.959718049464319,1.3214756019014282 +UMLCN0267,L,"2,2,3-trimethylbutane",CC(C)C(C)(C)C,Alkanes,,C7H16,NREL (2014),IQT,PubChem,,12.9,0,2.1291,4.533066810000001,33.3946,22.988687999999986,0,0,23,7,16,0,7,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1026.105871,1059.2981339999997,1531.545632999998,1380.1788059999983,481.578048000001,54.867456000000004,0.0,0.0,0.0,3461.9582231401955,4376.8872724242765,6343.1673768772525,7546.5417646433325,5529.286688730523,1678.5221992702322,0.0,0.0,0.0,160.27903600000002,159.12520800000004,296.75898000000007,384.4944240000003,558.5656319999998,362.79705599999994,0.0,0.0,0.0,26.63610647758398,34.55010896000001,51.813091152735055,66.16993844909403,60.09517587820513,24.009096861845986,0.0,0.0,0.0,3846.242925017985,3210.7268999464013,6671.119844005936,8301.419052627296,13833.706058755608,9985.553209309446,0.0,0.0,0.0,39.34027777777778,45.83333333333333,68.5,103.49999999999999,117.0,54.0,0.0,0.0,0.0,44.613298739130435,48.149915181818166,36.465372214285665,25.558866777777748,5.945408000000012,1.016064,0.0,0.0,0.0,150.5199227452259,198.94942147383074,151.02779468755364,139.75077341932098,68.26279862630275,31.083744430930228,0.0,0.0,0.0,6.968653739130436,7.232964000000002,7.065690000000002,7.120267111111117,6.895871999999998,6.718463999999999,0.0,0.0,0.0,1.158091585981912,1.5704594981818187,1.2336450274460726,1.2253692305387784,0.7419157515827794,0.44461290484899973,0.0,0.0,0.0,167.22795326165152,145.9421318157455,158.8361867620461,153.72998245606104,170.78649455253836,184.917652024249,0.0,0.0,0.0,1.7104468599033817,2.083333333333333,1.630952380952381,1.9166666666666663,1.4444444444444444,1.0,0.0,0.0,0.0,0.030588158092625668,-0.009555993322249462,0.01660658923355453,-0.02663582019203137,-0.025211087625732844,0.02950223286014626,0.0,0.0,0.0,589.5388264347827,-58.58770945935662,234.12197959735383,-657.7385819773143,-418.1240046181461,605.5589032400743,0.0,0.0,0.0,1096.27262196491,-108.94634752446328,435.35981842783485,-1223.0929796301054,-777.5194411218515,1126.0626388661303,0.0,0.0,0.0,0.115486608695652,-0.01147693005670851,0.04586288846881062,-0.12884647258978849,-0.08190762192816795,0.11862483175802871,0.0,0.0,0.0,4.9008486914386085,-0.4870408637454439,1.9462609516078064,-5.467794696892284,-3.475873664308364,5.034023927618987,0.0,0.0,0.0,26.621487874186396,-2.645613701782522,10.5721203786074,-29.70114757391762,-18.881000910768037,27.34489787076759,0.0,0.0,0.0,3.8182367149758485,-2.625052509976895,2.877205419029618,-1.3775992438563327,-3.965855387523626,3.1821833648393207,0.0,0.0,0.0,0.0013299199170706813,-4.34363332829521E-4,3.9539498175129834E-4,-4.932559294820624E-4,-3.1124799537941784E-4,5.463376455582641E-4,0.0,0.0,0.0,25.63212288846881,-2.663077702698028,5.574332847556043,-12.180344110691006,-5.162024748372174,11.21405376370508,0.0,0.0,0.0,47.664027041952615,-4.952106705657422,10.365709962567497,-22.6498699931501,-9.599005445948784,20.853011830854264,0.0,0.0,0.0,0.005021156899810956,-5.216786389412958E-4,0.0010919735349716815,-0.0023860457886997867,-0.0010112052089897277,0.002196756143667198,0.0,0.0,0.0,0.21308037788863515,-0.02213822107933836,0.04633954646685253,-0.10125545734985711,-0.04291202054701684,0.09322266532627754,0.0,0.0,0.0,1.1574559945298433,-0.1202551682628419,0.25171715187160476,-0.5500212513688448,-0.23309877667614862,0.5063869976068072,0.0,0.0,0.0,0.16601029195547168,-0.11932056863531341,0.06850489092927663,-0.025511097108450606,-0.04896117762374847,0.05892932157109853,0.0,0.0,0.0,-0.32660863804962165,0.29730736165092286,-0.3708914522977607,-0.23403514105193746,0.410804920315535,0.0,0.0,0.0,-0.10389610389610272,0.21747448979591866,-0.4751984126984117,-0.20138888888888823,0.437499999999999,0.0,0.0,0.0,-0.10389610389610406,0.21747448979591827,-0.4751984126984127,-0.20138888888888876,0.4374999999999999,0.0,0.0,0.0,-0.10389610389608354,0.21747448979592604,-0.47519841269840024,-0.20138888888889311,0.437499999999981,0.0,0.0,0.0,-0.10389610389610221,0.2174744897959189,-0.47519841269841145,-0.20138888888888906,0.43749999999999845,0.0,0.0,0.0,-0.10389610389610479,0.2174744897959182,-0.4751984126984133,-0.20138888888888856,0.4375000000000006,0.0,0.0,0.0,-0.7187540436789204,0.4126544813718624,-0.153671780273077,-0.29492856766302866,0.35497390479202895,0.0,0.0,0.0,1.8653585309499292,0.6875704601732331,1.6804007742068032,1.1400161882570765,2.2221033985706355E-5,0.0,0.0,0.0,1.6428571428571437,0.9681122448979597,1.7569444444444458,1.0039682539682546,0.0,0.0,0.0,0.0,1.6428571428571428,0.9681122448979592,1.7569444444444438,1.0039682539682535,0.0,0.0,0.0,0.0,1.6428571428571432,0.9681122448979593,1.7569444444444444,1.003968253968254,0.0,0.0,0.0,0.0,1.6428571428571432,0.9681122448979593,1.7569444444444435,1.0039682539682537,0.0,0.0,0.0,0.0,1.642857142857144,0.9681122448979599,1.7569444444444444,1.0039682539682542,0.0,0.0,0.0,0.0,2.317096315040327,0.39441042904588663,1.5138120090674247,1.280404871105487,0.0,0.0,0.0,0.0,24.788950386259696,12.394475193129844,17.422364387436453,24.788950386259692,3.5412786266085274,12.394485397636663,-7.105427357601002E-15,0.05475093809337961,0.007821562584768516,-2.033472543414662,19.75447611719925,2.82206801674275,2.0883660731597717,24.788950386259696,12.394475193129844,17.422364387436453,24.788950386259692,3.5412786266085274,12.394485397636663,-7.105427357601002E-15,0.05475093809337961,0.007821562584768516,-2.033472543414662,19.75447611719925,2.82206801674275,2.0883660731597717,24.788950386259696,12.394475193129844,17.422364387436453,24.788950386259692,3.5412786266085274,12.394485397636663,-7.105427357601002E-15,0.05475093809337961,0.007821562584768516,-2.033472543414662,19.75447611719925,2.82206801674275,2.0883660731597717,24.788950386259696,12.394475193129844,17.422364387436453,24.788950386259692,3.5412786266085274,12.394485397636663,-7.105427357601002E-15,0.05475093809337961,0.007821562584768516,-2.033472543414662,19.75447611719925,2.82206801674275,2.0883660731597717,24.788950386259696,12.394475193129844,17.422364387436453,24.788950386259692,3.5412786266085274,12.394485397636663,-7.105427357601002E-15,0.05475093809337961,0.007821562584768516,-2.033472543414662,19.75447611719925,2.82206801674275,2.0883660731597717,24.788950386259696,12.394475193129844,17.422364387436453,24.788950386259692,3.5412786266085274,12.394485397636663,-7.105427357601002E-15,0.05475093809337961,0.007821562584768516,-2.033472543414662,19.75447611719925,2.82206801674275,2.0883660731597717,36.10604470783439,17.912843782488622,26.47926450110038,35.90578960579357,5.129398515113367,17.91284381429987,-0.28035714285714874,0.05990431053664358,0.00855775864809194,-1.9705047699648308,17.900590463361045,2.557227209051578,2.0193835893578234,0,11.889999999999997,12.11009425580983,-0.1582798355443696,0.06316106441879821,6.069125000000002,8.904305317644846,6.0,22.0,22.0,22.0,6.0,0.0,0.0,0.0,0.0,0.0,17.491311999999997,3.5922100917312445,2.934737529978606,2.333552793103046,2.333552793103046,2.333552793103044,1.348564318107687,0.40785944648221334,0.08392307051869184,1.9484214598474952,1.5675795937852834,1.249629722584356,1.249629722584356,1.2496297225843533,0.5156011211109,0.08392307051869065,0.08392307051869101,3.614885487784613,2.979392306384836,2.4054545878412887,2.4054545878412887,2.405454587841287,1.4436800882873533,0.5233839862691452,0.2709139018929376,1.8938411505678112,1.4801745073045287,1.1345406859483513,1.1345406859483504,1.1345406859483504,0.37458450517479525,0.2709139018929363,0.2709139018929368,3.717015889924197,3.17359180317175,2.704236987233521,2.70423698723352,2.704236987233519,1.8333062351867222,0.9626166393711276,0.943918426802623,1.7378655177457554,1.2117125328200764,0.7603185604308988,0.7603185604308988,0.7603185604308988,0.09480276331989905,0.9439184268026204,0.9439184268026213,3.6317223849189726,3.012216012716604,2.4575399160416946,2.457539916041694,2.457539916041693,1.5123212509555974,0.6048224851409004,0.3992772455089827,1.8594718353644637,1.4234757411012675,1.0582626705327118,1.0582626705327116,1.0582626705327116,0.2803028207394046,0.39927724550898097,0.3992772455089816,3.7681384289172204,3.2661086070959615,2.8389820851496497,2.8389820851496492,2.8389820851496483,2.0053373958865643,1.2076448229620893,1.2076448229620884,1.6907704062907616,1.1248495961842977,0.6313372621875617,0.6313372621875613,0.6313372621875613,0.260760980823025,1.138209058638553,1.2076448229620869,3.5837395176111886,3.074419589727254,2.588679095579906,2.5886790955799053,2.588679095579905,1.5294467457962302,0.6028485061517256,0.5562913907284777,1.8936486026296664,1.34332354811672,0.9198049233944752,0.9198049233944747,0.9198049233944746,0.2223563807254363,0.5562913907284762,0.5562913907284763,0,0,0,0,0,5,0,1,1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6547005383792517,0.2886751345948129,0.8660254037844388,0.2886751345948129,1.6547005383792517,0.2886751345948129,0.8660254037844388,0.2886751345948129,2.5980762113533165,0.5773502691896258,0.0,2.5980762113533165,0.5773502691896258,0.0,6.077350269189626,2.9433756729740645,3.5207259421636907,1.7320508075688774,0.0,0.0,0.0,0.0,0.868192895598518,0.4905626121623441,0.39119177135152117,0.2886751345948129,0.0,0.0,0.0,0.0,6.077350269189626,2.9433756729740645,3.5207259421636907,1.7320508075688774,0.0,0.0,0.0,0.0,0.868192895598518,0.4905626121623441,0.39119177135152117,0.2886751345948129,0.0,0.0,0.0,0.0,11.334622430286998,22.102694828841948,20.80392156862746,21.080000000000002,13.388435928143707,177.48334610778446,0.4928096708820434,0.9609867316887803,0.9045183290707591,0.9165217391304349,0.5821059099192916,7.716667222077585,2.6885000000000012,34.292999999999985,12.394475193129844,17.422364387436453,24.788950386259692,3.5412786266085274,12.394485397636663,0.05475093809337961,0.007821562584768516,-2.033472543414662,19.75447611719925,2.82206801674275,2.0883660731597717,29,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.284722222222223,0.0,0.0,0.0,0.0,0.0,0.7986111111111109,0.0,0.0,0.0,0.0,0.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.25,0.0,0.0,0.0,0.0,0.0,0.7986111111111109,0.0,0.0,0.0,0.0,0.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.261574074074074,0.0,0.0,0.0,0.0,0.0,0.7986111111111109,0.0,0.0,0.0,0.0,0.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.583333333333332,1.7976190476190474,0.2,2.261574074074074,-0.0,0.5,5.336909722222222,0.75,0.26157407407407407,2.569444444444444,0.75,0.26157407407407407,2.569444444444444,3.5,0.5,0.0,0.0,0.42174,0.7,0.42174,0.42174,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.71429,0.14286,0.14286,3.0,0.42857,3.0,0.42857,0.0,0.0,-3.0,-0.42857,0.0,0.0,8.30939,1.18706,8.30939,0.0,0.0,2.94337,0.42048,2.94337,0.0,0.0,0.47063,0.06723,0.47063,0.06723,0.0,6.0,0,0,0,0,0,0,1.0,0.8865408928220899,1.2361862832554122,1.681899067522611,2.3151277160800037,1.9217745025098283,1.0354056227629322,20.39044053490807,28.432284514874482,38.68367855302006,53.24793746984008,44.20081355772605,23.81432932354744,0.19598292262472913,0.2732771862669348,0.37180856233671383,0.5117930822147946,0.42483656047566404,0.2288916638748658,3.637021063234923,3.287375672801601,2.841662888534402,2.2084342399770094,2.6017874535471845,3.488156333294081,0.1988013201316891,0.2772071396025046,0.37715547884924444,0.5191530926058813,0.4309460637266324,0.2321833164647402,6.634953581644547,10.830698266844418,13.600085467808995,14.238269150804665,9.518030587962567,1.0435077048940322,27.765075162887893,22.546073191249,19.16553126361552,20.934362464266403,18.574243182845354,7.801485813733981,7.0,1.8518518518518519,2.6666666666666665,7,0,4,2.23,1.0949,3.920263408415578,0.0,3.2987697769322355,3.7892914162759945,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.15399999999999997,0.131,0.009000000000000008,0.003999999999999948,2.627,9.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,28.0,1.9459101490553132,2.302585092994046,1.9459101490553132,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.367295829986474,1.0,0.3333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.16666666666666666,6.0,1.0,0,2.0,3.0,0.5,3.5,1.333333333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5833333333333334,0.14814814814814822,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7314814814814816,12.394475193129844,17.422364387436453,24.788950386259692,3.5412786266085274,12.394485397636663,0.05475093809337961,0.007821562584768516,-2.033472543414662,19.75447611719925,2.82206801674275,2.0883660731597717,0.0,129.62835108186675,3.807354922057604,3.4339872044851463,4.110873864173311,4.9344739331306915,5.666426688112432,6.47543271670409,7.221835825288449,8.026496938945412,8.776630098427717,9.580040123637605,71.22619739290485,2.5649493574615367,0.0,3.8918202981106265,0.0,5.37989735354046,0.0,6.9167150203536085,0.0,8.46653127661401,8.70682132339263,100.12520051199999,4.353269587478261,12.293055041532952,1.7561507202189932,0.0,0.0,0.0,42.0,6.0,4.2379999999999995,30.0,1.2248181818181814,2.1092705243317806,2.951680437744474,3.454650488474177,3.913077987068474,0.0,0.0,0.0,0.0,0.0,69.72220730918177,88.72455475759573,79.74642309793944,21.190170426962034,3.975937671852741,0.0,0.0,0.0,0.0,0.0,268.7875960232532,351.9329753916266,424.31861024698367,240.7331816000664,121.63311608833548,0.0,0.0,0.0,0.0,0.0,8.893455721090907,14.97766251784046,21.041619459712837,23.84625228061988,26.289873585311998,0.0,0.0,0.0,0.0,0.0,2.0597711487490895,2.8047098796596637,3.6875836617961535,2.602315070994885,1.7398049707311916,0.0,0.0,0.0,0.0,0.0,176.61150707371556,329.71282014483995,452.0018764321852,588.1417883097058,723.5971935564769,0.0,0.0,0.0,0.0,0.0,2.5889772727272717,3.627320951868845,5.74803612563511,5.0487345363529865,3.913077987068474,0.0,0.0,0.0,0.0,0.0,0.4279111363636364,0.5882230487116779,0.7829199960606154,0.5731021750078799,0.40069918587581166,0.0,0.0,0.0,0.0,0.0,342.4271851562863,130.4788689405134,8.116067025501234,101.5476955623148,-38.69385678137413,-5.796802570961662,240.87948959397153,169.17272572188753,13.912869596462897,0.7712760339099511,0.29388795314123445,0.018280464454126035,0.22872396609004883,-0.08715325677602684,-0.013056600322926321,152.02906868456856,57.92934027416242,3.6033298895510826,45.08462602452753,-17.179100449053212,-2.5736347299919844,0.07887699493683009,0.16320380412907737,1.326139723874416,7.088037122553663,443.9748807186011,0.0,1.0,0.0,372.4894148768997,19.299984841364505,7.195118958220815,527.481992185502,22.966976121934337,8.079836002258588,669.3452908981135,25.87170831039407,8.747488981342302,1.0957001118352943,1.0957001118352943,263.05976561245865,215.3646754207525,165.30938654707805,1.2214619927735386,1.5913177775754586,1.3027976203844862,3.6372174668579995,3.2202184609824864,5.2612607435247805,0.6338210612951934,4.462408854974316,5.691187895986756,2.838021923394251,31.373005480993484,4.133687790437505,4.8535445082556565,10.197746568549537,13.316656964296447,4.946205100909376,0.013377150417050877,7.941590046364763E-24,9.09343975661338E-67,2.0082871007713172E-131,8.554611260537724E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.37449905302650055,5.690851902378259,0.15002728784422859,10.090999142131324,2.016656514890646,0.10548490930961787,0.6886684159224535,0.6423385152233785,0.034836526953834296,9.421636417380856E-5,5.593326804292225E-26,6.404583973352335E-69,1.4144530258899978E-133,6.025082657819683E-220,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2089285947484634,5.690874984099913,0.5423897500759608,13.283395899527054,2.1841083057283823,0.5393584253023919,2.134850282650673,2.386693722674978,0.3630234699603828,9.818071558896878E-4,5.82867777783588E-25,6.674070296253022E-68,1.4739691078788998E-132,6.278600665762772E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.21214994613789,5.691151229691548,2.6181659085714704,29.662697880965258,3.9104498395402216,4.373497933396048,9.440555380537186,12.242609574249833,4.406979695696867,0.011918800185496764,7.07581375455738E-24,8.102091109013729E-67,1.7893476505051468E-131,7.622004619832029E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7817383159537954,5.690904339385824,0.8581473052479953,15.81684405437652,2.377647511091628,0.9961426244809793,3.274532199349039,3.834366846430993,0.7885354863553767,0.0021326163381716816,1.2660667000014852E-24,1.4496972516968192E-67,3.20165786383417E-132,1.36379596342703E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.389004951648266,5.691341931717081,3.714837546580334,38.168120435068666,5.066552740426865,6.845960595609576,13.200043391227402,17.631880573358934,7.213575287540376,0.019509316677632033,1.1582062719499385E-23,1.3261927269249518E-66,2.9288979944944663E-131,1.2476096547672738E-217,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.7043360185106233,4.256075767760095,1.054784201440792,19.644772579921703,3.1696103863128955,1.7880239794424198,5.263983409105048,6.329010248502059,1.5306531815288944,0.004139694458256699,2.4576053404302347E-24,2.814056880078244E-67,6.214847499251093E-132,2.647310953657919E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1459209093116747,1.6613740416454994,1.0678280505823345,0.44017779831073334,0.34078607680685313,0.5836360374481913,0.6063900221656237,0.45553718819836986,4.875123001539508,7.630713639627286,16.312832961164435,0.1714458126763797,1.6455632478121847,1.5635600767777038,1.0635784836071687,0.5882664781302848,0.4862715763796093,0.33077589630770715,0.31399837874889813,0.2485171082928636,0.14144371344966586,3.215405038515157,3.208426403965814,7.402100274339211,0.22940736456941394,0.7039592004914276,1.8045642618632738,1.3111848622065854,0.7871095911929041,0.4623698661717453,0.33595499039690674,0.4157458157716575,0.37769832509097934,0.25078371781909786,3.9028587152627634,4.818553362340401,10.583805732193195,0.19748728485297812,1.0442278586817346,2.1324455900255384,1.6475604719396328,1.0567649821761815,0.4408820617234944,0.34063230549961165,0.5764811906928987,0.596348228323414,0.44637207806801893,4.8367710441413525,7.507911101386546,16.05744949689844,0.1722715508346591,1.6192014970843318,1.9077504086878752,1.4171011906769673,0.8720729224702222,0.454559141762628,0.3376522935555089,0.46356122296557917,0.4411831646201723,0.3066022759522977,4.196924521835065,5.6029884267039485,12.157540620222395,0.1883171529772055,1.2113466635380492,2.187820796269116,1.704320559140688,1.1022182406124386,0.438058324436952,0.34124906834864155,0.6061597538668267,0.6381455886345492,0.48459495353525545,4.994359596022242,8.018737159771712,17.122990775035284,0.1689610891783903,1.7289002960366313,2.136550383310738,1.6516553378351309,1.0581668215837208,0.44085558105018957,0.3408023884405882,0.5785198614845841,0.599316253724175,0.4472866992278411,4.84637254272959,7.537398452599066,16.11787752898194,0.1724869542361667,1.6251228144366001 +UMLCN0268,L,"2,2-dimethylbutane",CCC(C)(C)C,Alkanes,,C6H14,Marquardt (2015),IQT,PubChem,,24.4,0,1.8631000000000004,3.4711416100000014,29.4773,19.895101999999994,0,0,20,6,14,0,6,0,0,0,0,0.0,0.0,0.0,0.0,0.0,879.8096220000002,890.8198369999998,1216.7710869999983,874.7439149999993,263.6504640000003,27.433728000000002,0.0,0.0,0.0,2976.2738325290047,3723.8971379339105,5204.492851775697,5587.571361172238,3464.027594061206,839.2610996351166,0.0,0.0,0.0,139.30159199999997,137.349428,254.0057560000002,319.1670840000002,430.4482559999998,181.39852800000006,0.0,0.0,0.0,22.95798066788598,29.534120340000015,43.11897672303704,51.121972589094064,40.05137829820501,12.004548430923007,0.0,0.0,0.0,3349.6132648794865,2777.687448430601,5741.450732351638,7002.300698079896,11077.500199923406,4992.776604654723,0.0,0.0,0.0,33.8125,39.375,58.75,83.25,81.0,27.0,0.0,0.0,0.0,43.99048110000001,46.885254578947354,33.799196861111064,19.438753666666653,4.184928000000005,1.016064,0.0,0.0,0.0,148.81369162645024,195.99458620704792,144.56924588265827,124.16825247049417,54.98456498509851,31.083744430930242,0.0,0.0,0.0,6.965079599999998,7.228917263157894,7.055715444444449,7.092601866666671,6.832511999999997,6.718464000000002,0.0,0.0,0.0,1.147899033394299,1.5544273863157902,1.1977493534176957,1.1360438353132014,0.6357361634635715,0.4446129048490003,0.0,0.0,0.0,167.48066324397433,146.19407623318952,159.48474256532327,155.60668217955325,175.83333650672074,184.917652024249,0.0,0.0,0.0,1.690625,2.0723684210526314,1.6319444444444444,1.85,1.2857142857142858,1.0,0.0,0.0,0.0,0.027048336311324913,-0.007822236366368081,0.012698697121040632,-0.033070683725178344,8.645464630017432E-5,0.014583600168543175,0.0,0.0,0.0,508.47723779999967,-59.322344409999474,150.12185116000032,-671.9163499499995,32.68782242999912,294.19040186999933,0.0,0.0,0.0,945.5351364447346,-110.31243258521906,279.1579926646362,-1249.4571445876857,60.78440162858983,547.059614657311,0.0,0.0,0.0,0.09960719999999997,-0.011620839999997908,0.029407840000001344,-0.1316237999999974,0.006403319999996755,0.05762987999999724,0.0,0.0,0.0,4.226981996365799,-0.49314789957600474,1.247966113212763,-5.585654780911942,0.27173455690921766,2.445611012183061,0.0,0.0,0.0,22.961033291485773,-2.678787217339913,6.778971733676814,-30.341365420891805,1.4760664258810723,13.284597832930931,0.0,0.0,0.0,3.1843750000000024,-2.0657812500000006,2.505625000000001,-2.833593749999999,-0.721406249999996,1.52296875,0.0,0.0,0.0,0.0013524168155662456,-4.1169665086147796E-4,3.5274158669557315E-4,-7.34904082781741E-4,1.3722959730186399E-6,5.401333395756732E-4,0.0,0.0,0.0,25.423861889999984,-3.122228653157867,4.17005142111112,-14.931474443333322,0.5188543242857003,10.895940809999976,0.0,0.0,0.0,47.27675682223673,-5.805917504485214,7.7543886851287835,-27.765714324170794,0.9648317718823783,20.26146720953004,0.0,0.0,0.0,0.004980359999999998,-6.116231578946268E-4,8.168844444444818E-4,-0.0029249733333332755,1.016399999999485E-4,0.0021344399999998977,0.0,0.0,0.0,0.21134909981828995,-0.02595515260926341,0.0346657253670212,-0.12412566179804316,0.004313246935066947,0.09057818563640968,0.0,0.0,0.0,1.1480516645742886,-0.140988800912627,0.1883047703799115,-0.6742525649087068,0.023429625807636068,0.49202214196040484,0.0,0.0,0.0,0.15921875000000013,-0.10872532894736846,0.06960069444444447,-0.06296874999999998,-0.011450892857142795,0.05640625,0.0,0.0,0.0,-0.3044155072037492,0.26082312984838424,-0.5434005805924875,0.0010146989871935828,0.39938377973326505,0.0,0.0,0.0,-0.12280701754385864,0.16402116402116448,-0.5873015873015872,0.020408163265305587,0.4285714285714279,0.0,0.0,0.0,-0.12280701754385968,0.1640211640211642,-0.5873015873015877,0.02040816326530604,0.4285714285714288,0.0,0.0,0.0,-0.1228070175438376,0.1640211640211716,-0.5873015873015759,0.02040816326529579,0.42857142857140823,0.0,0.0,0.0,-0.12280701754385838,0.16402116402116448,-0.5873015873015867,0.0204081632653052,0.42857142857142716,0.0,0.0,0.0,-0.12280701754385534,0.1640211640211655,-0.5873015873015852,0.020408163265303966,0.4285714285714246,0.0,0.0,0.0,-0.6828676204741487,0.4371388071093663,-0.3954857703631006,-0.07191924856301651,0.35426889106967585,0.0,0.0,0.0,1.846346303833285,0.7463883315244783,1.8117466081150115,0.7383890484573348,8.640275180581559E-5,0.0,0.0,0.0,1.6666666666666685,1.0052910052910065,1.809523809523812,0.6462585034013614,0.0,0.0,0.0,0.0,1.6666666666666674,1.0052910052910058,1.8095238095238095,0.6462585034013608,0.0,0.0,0.0,0.0,1.666666666666665,1.0052910052910042,1.8095238095238073,0.6462585034013598,0.0,0.0,0.0,0.0,1.6666666666666674,1.0052910052910058,1.8095238095238095,0.6462585034013607,0.0,0.0,0.0,0.0,1.666666666666667,1.0052910052910058,1.809523809523809,0.6462585034013608,0.0,0.0,0.0,0.0,2.2767419038272796,0.39363210118852876,1.752698724239449,0.8523762792653855,0.0,0.0,0.0,0.0,19.34042203746926,9.67021101873463,13.811127599682385,19.34042203746926,3.2234036729115427,9.670353541290893,-1.7763568394002505E-15,0.1082116143433014,0.0180352690572169,-1.3341999461370708,17.71200313832473,2.9520005230541213,1.7245455318915728,19.34042203746926,9.67021101873463,13.811127599682385,19.34042203746926,3.2234036729115427,9.670353541290893,-1.7763568394002505E-15,0.1082116143433014,0.0180352690572169,-1.3341999461370708,17.71200313832473,2.9520005230541213,1.7245455318915728,19.34042203746926,9.67021101873463,13.811127599682385,19.34042203746926,3.2234036729115427,9.670353541290893,-1.7763568394002505E-15,0.1082116143433014,0.0180352690572169,-1.3341999461370708,17.71200313832473,2.9520005230541213,1.7245455318915728,19.34042203746926,9.67021101873463,13.811127599682385,19.34042203746926,3.2234036729115427,9.670353541290893,-1.7763568394002505E-15,0.1082116143433014,0.0180352690572169,-1.3341999461370708,17.71200313832473,2.9520005230541213,1.7245455318915728,19.34042203746926,9.67021101873463,13.811127599682385,19.34042203746926,3.2234036729115427,9.670353541290893,-1.7763568394002505E-15,0.1082116143433014,0.0180352690572169,-1.3341999461370708,17.71200313832473,2.9520005230541213,1.7245455318915728,19.34042203746926,9.67021101873463,13.811127599682385,19.34042203746926,3.2234036729115427,9.670353541290893,-1.7763568394002505E-15,0.1082116143433014,0.0180352690572169,-1.3341999461370708,17.71200313832473,2.9520005230541213,1.7245455318915728,26.560777040536507,13.174832964712701,19.33341160963687,26.42003629979577,4.403339383299295,13.174836430697619,-0.21111111111110326,0.10865650113730096,0.018109416856216826,-1.331738243085395,15.871176911309266,2.645196151884878,1.6587028147748564,0,11.889999999999997,12.110074714184956,-0.1595651278265807,0.06161232709476691,5.4413693732590795,8.276237026368255,5.0,19.0,19.0,19.0,5.0,0.0,0.0,0.0,0.0,0.0,15.304897999999996,3.536230484960746,2.7958855647002454,2.3335527931030473,2.333552793103046,1.6939264317184117,0.46568202759542027,0.08392307051869162,0.08392307051869138,1.9216529165732787,1.5004485010185014,1.249629722584356,1.2496297225843558,0.8178538798269682,0.08392307051869062,0.0839230705186908,0.08392307051869113,3.5611887903005366,2.847396163780555,2.405454587841289,2.4054545878412883,1.785944101213661,0.5703244379426134,0.2709139018929379,0.2709139018929376,1.8635497255244868,1.4060287973414016,1.134540685948351,1.1345406859483507,0.6825332646926676,0.270913901892937,0.270913901892937,0.2709139018929371,3.6729334252469235,3.068012017896348,2.7042369872335206,2.7042369872335206,2.1619061118904326,0.966354630608169,0.9439184268026234,0.9439184268026231,1.6956013118676578,1.1106889482331845,0.7603185604308985,0.7603185604308962,0.231160645133158,0.9439184268026208,0.9439184268026214,0.9439184268026217,3.5796878531426772,2.8850713640904484,2.4575399160416938,2.4575399160416938,1.8522740185318751,0.6439304820073798,0.3992772455089829,0.3992772455089823,1.8267882050911235,1.3443572101854526,1.0582626705327114,1.0582626705327112,0.5919865659688595,0.3992772455089812,0.3992772455089815,0.3992772455089817,3.728423245431051,3.1712485047659595,2.8389820851496506,2.8389820851496483,2.3275761775902706,1.2076448229620884,1.2076448229620884,1.207644822962088,1.6443275458222848,1.0131504974397254,0.6313372621875618,0.6313372621875613,0.07124100422749574,1.1244055885884865,1.2076448229620862,1.2076448229620862,3.5468355221573473,2.964324052213193,2.5915980662830047,2.591598066283003,1.911717881944612,0.6142260553026514,0.5581395348837218,0.5581395348837215,1.844600937778834,1.2496614233311372,0.9171794616318419,0.9171794616318416,0.50098068539155,0.5581395348837199,0.5581395348837206,0.5581395348837207,0,0,0,0,0,4,1,0,1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5606601717798212,0.35355339059327373,0.0,0.0,1.5606601717798212,0.35355339059327373,0.0,0.0,1.0606601717798212,0.35355339059327373,0.0,1.0606601717798212,0.35355339059327373,0.0,5.207106781186548,2.560660171779821,2.914213562373095,1.0606601717798212,0.0,0.0,0.0,0.0,0.867851130197758,0.5121320343559642,0.4163162231961564,0.35355339059327373,0.0,0.0,0.0,0.0,5.207106781186548,2.560660171779821,2.914213562373095,1.0606601717798212,0.0,0.0,0.0,0.0,0.867851130197758,0.5121320343559642,0.4163162231961564,0.35355339059327373,0.0,0.0,0.0,0.0,9.792794626501124,19.214857975236704,18.078431372549026,18.320000000000004,11.589881437125744,154.4550910179641,0.48963973132505617,0.9607428987618352,0.9039215686274513,0.9160000000000001,0.5794940718562872,7.7227545508982045,2.442500000000001,29.74599999999998,9.67021101873463,13.811127599682385,19.34042203746926,3.2234036729115427,9.670353541290893,0.1082116143433014,0.0180352690572169,-1.3341999461370708,17.71200313832473,2.9520005230541213,1.7245455318915728,24,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.9375,0.0,1.2708333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5416666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2083333333333335,0.0,1.2708333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5416666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2430555555555554,0.0,1.2708333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5416666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.75,1.7916666666666667,0.2,2.2430555555555554,-0.0,0.5416666666666667,4.60625,0.7083333333333333,0.24305555555555555,1.875,0.7083333333333333,0.24305555555555555,1.875,3.0,0.5,0.0,0.0,0.42,0.7,0.42,0.42,0.7,-0.0,0.0,0.0,0.0,0.71429,0.0,0.0,0.66667,0.0,0.16667,2.5,0.41667,2.5,0.41667,0.0,0.0,-2.5,-0.41667,0.0,0.0,6.37132,1.06189,6.37132,0.0,0.0,2.56066,0.42678,2.56066,0.0,0.0,0.35334,0.05889,0.35334,0.05889,0.0,5.0,0,0,0,0,0,0,1.0,0.8812908992306927,1.2567796494470396,1.8332062193464953,2.319973094021975,1.8877802845332388,0.9289462311752034,17.625817984613853,25.135592988940793,36.664124386929906,46.3994618804395,37.75560569066477,18.57892462350407,0.20391151353795506,0.2907914296246045,0.4241639793857496,0.5367912290735225,0.4367912290735225,0.2149379190908111,3.44063719565667,3.065148445440323,2.4887218755408673,2.0019550008653875,2.4341478103541236,3.3929818637121594,0.20746373294780487,0.2958571316176321,0.43155308407332155,0.5461423451035509,0.44440030545693293,0.21868222285698855,6.6160959460597875,11.12196094865595,13.486440293263652,13.977016134310006,8.790702420445173,0.9362152651604287,23.802045510726657,18.781228806123387,17.25008028662154,17.841175054452098,15.248018197519684,5.897247045827244,6.0,1.6326530612244898,5.333333333333333,6,0,4,2.12,0.9540000000000003,2.449489742783178,2.378414230005442,0.0,3.3635856610148585,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.136,0.111,0.04800000000000004,0.019000000000000017,2.356,7.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.0,1.791759469228055,2.0794415416798357,1.3862943611198906,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.091042453358316,1.0,0.3333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.2,5.0,1.0,0,2.0,3.0,0.5,3.0,0.666666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6,0.09523809523809527,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6952380952380952,9.67021101873463,13.811127599682385,19.34042203746926,3.2234036729115427,9.670353541290893,0.1082116143433014,0.0180352690572169,-1.3341999461370708,17.71200313832473,2.9520005230541213,1.7245455318915728,0.0,112.33236645600009,3.584962500721156,3.2188758248682006,3.8066624897703196,4.634728988229636,5.25227342804663,6.0844994130751715,6.70808408385307,7.541683099882111,8.166500319155052,9.000483164987708,65.41379081186791,2.3978952727983707,0.0,3.6635616461296463,0.0,5.081404364984463,0.0,6.532334292222349,0.0,7.989899374942939,8.25608813381491,86.109550448,4.3054775223999995,10.465990257669732,1.744331709611622,0.0,0.0,0.0,28.0,3.0,3.73,24.0,1.220894736842105,2.101556087030141,2.93491734827266,3.419631249205145,3.913067792477454,0.0,0.0,0.0,0.0,0.0,67.748627717421,82.03263661968585,59.959784939444745,14.840262127450025,3.9759273134958115,0.0,0.0,0.0,0.0,0.0,263.8372191108719,335.2297699426424,373.20355473833285,192.0195146550014,121.63279920227362,0.0,0.0,0.0,0.0,0.0,8.85936690336842,14.899114724268278,20.838004298248695,23.383723006183462,26.289805093319245,0.0,0.0,0.0,0.0,0.0,2.0309853125484203,2.708801968161241,3.3892222967757872,2.205909958845301,1.739800438084465,0.0,0.0,0.0,0.0,0.0,176.39445053093462,330.05152165554415,455.09666955784405,599.7676578126305,723.5953083966419,0.0,0.0,0.0,0.0,0.0,2.5735855263157887,3.6159675641614535,5.4997905332623676,4.444396674098072,3.913067792477454,0.0,0.0,0.0,0.0,0.0,0.42226934210526323,0.5695019417269143,0.7245310647179313,0.49117796238387357,0.40069814194969133,0.0,0.0,0.0,0.0,0.0,325.8798930510532,108.82227624284442,7.732559733506682,125.10273550538507,-41.77601850314133,-7.344627996530151,200.77715754566816,150.59829474598575,15.077187730036833,0.7225996577610326,0.2413003724581951,0.017146025686749902,0.2774003422389673,-0.09263332079300536,-0.01628583349216744,146.96617076185498,49.07695618549283,3.4872501140865158,56.41916049781942,-18.840258635169082,-3.312299639644375,0.08016654576674113,0.19404997367950994,1.6031971682918416,9.739765540764012,450.9826285564383,0.0,1.0,0.0,310.4078457307497,17.618395095205173,6.770866171770718,446.0263508757768,21.119335947793832,7.64047171687309,517.0378379166058,22.7384660414155,8.026153147589051,1.2677905082591658,1.1868763415216435,191.6180182279989,191.1846161498093,114.45360374955484,1.00226692966682,1.674198207400212,1.670411502010507,3.4304205396965664,3.2201944036352645,5.261228038604414,0.6338231110100169,3.904607748102195,4.742685895532178,2.393103584100192,20.609895349822107,2.971554358764211,5.339918715890952,6.656402721226747,6.657263391097945,2.4727682359952974,0.006683872296345543,3.96215598587167E-24,4.530132448623586E-67,9.990014880796824E-132,4.2491031628307606E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3276866713978576,4.742376807831884,0.12889629041280362,7.648359242169964,1.0189363298838472,0.1685631347737475,0.3552259370279407,0.3211311473879927,0.01741590887284411,4.707505909188633E-5,2.790578857530843E-26,3.1906093243227646E-69,7.036049164186808E-134,2.9926781004949072E-220,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0578125204045747,4.742398012900725,0.4634964572472188,9.607608419494747,1.169499924411383,0.7283398780226389,1.1815988788681528,1.1931900500095456,0.18148719819034295,4.905584107987933E-4,2.9079983243079734E-25,3.324860913216263E-68,7.332105711324666E-133,3.118601317410064E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.685631202870322,4.742652155412042,2.2093594007445088,19.57354669047753,2.764279688914478,4.847931876470237,6.10797601435125,6.120334734269608,2.2031919796839614,0.005955209882665174,3.530209650568121E-24,4.036266453291713E-67,8.900923403132858E-132,3.785874419172986E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.55902102645924,4.742425006431263,0.7310679911119295,11.15640069200895,1.3464956349447534,1.259824478565867,1.885411510444218,1.9169181290209258,0.39421444599136946,0.0010655584199210973,6.316560946406312E-25,7.222042193457083E-68,1.5926313369557217E-132,6.774018789591803E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.715379332691901,4.742827644728211,3.1246684920884236,24.722768979625993,3.838617705537356,7.360678241381472,8.871683145458176,8.814486788570704,3.6063000775505656,0.00974779958338872,5.778432135742333E-24,6.606772427344681E-67,1.4569497826330704E-131,6.196917625590147E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.345841756104243,3.6565227717415607,0.9127354404897804,13.855097401235746,1.8922177979582475,2.1935116435495456,3.1345088771188174,3.185110840151528,0.7703161189476793,0.0020821581626257616,1.234289804143906E-24,1.4112256843738159E-67,3.112086842260125E-132,1.3236795142187768E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.160427148927062,1.1632944152129274,1.138901807174609,0.48411594911058864,0.26067501521425596,0.46813209604589345,0.484978538322082,0.4465510882564019,4.462623371314599,6.298605332765491,13.623531345750225,0.22617392366588307,1.3996617226243773,1.5583346829129883,0.6670037871352573,0.662931677649956,0.5395391023775593,0.23093538797498706,0.24544171045870547,0.1594409348621224,0.15096999728565727,2.8882701476982016,2.5146625004152536,6.091993867418075,0.30930865356633896,0.5558526426064851,1.8090747431116836,0.873897735788347,0.861615031137526,0.5103766624434434,0.24654426877983543,0.32952510454425615,0.2736934861563507,0.25531281114439314,3.5445875100375566,3.892635737825761,8.799390362214286,0.2655649936651651,0.8585314018450001,2.146641284769694,1.1519494182934795,1.1280436097954192,0.48493756950604194,0.2602314392556145,0.4622352218163908,0.4755651851378526,0.4380631344121036,4.426634312858592,6.193776343196208,13.409861913546592,0.22740635425906286,1.375863541366347,1.9157507054733593,0.9618215965023746,0.9459308383384127,0.5010459348847187,0.2515550690572597,0.369039887603032,0.33153721296968125,0.3078416747951835,3.8235031403141466,4.56459478202624,10.131079924672157,0.251568902327078,1.0084187753678968,2.2032486476740285,1.1985293720005117,1.1726191078141106,0.48164787321025937,0.2620081594573984,0.4866881083651448,0.5148024407995785,0.4734271300617062,4.574397127488651,6.62964812447014,14.300531535659648,0.22247180981538908,1.4749176792264294,2.15150675183843,1.154466076010667,1.1289073309297826,0.48513300806550674,0.26031505580266756,0.4642355071315783,0.4776453845159567,0.438757083836477,4.4348801587788795,6.215978518518879,13.454885620207836,0.22769951209826006,1.380637975484012 +UMLCN0269,L,"9,10-dimethyloctadecane",CCCCCCCCC(C)C(C)CCCCCCCC,Alkanes,,C20H42,NREL (2014),Unknown,PubChem,,60,0,-2.5754,6.63268516,72.7108,63.20530599999994,0,0,62,20,42,0,20,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2927.9571079999964,3249.5159950000034,3807.6245960000056,3925.9900040000025,3693.002562000003,3438.844265,3232.9429600000008,3036.1862310000006,2839.4295020000004,9775.855301085694,12865.759020799056,17769.025001609152,19856.213199224076,19685.712072223992,18456.750195509732,17170.198150676297,16163.399805721216,15156.601460766087,432.9858079999997,442.2103480000005,852.1951520000009,1197.2318240000025,1257.6505680000027,1252.8368360000034,1129.485760000003,1066.6008600000032,1003.7159600000031,74.4517420036579,99.75796101999991,149.74021446607415,176.4290610442796,178.41772861822267,169.3841274715616,156.36108246852433,147.3395536091281,138.31802474973185,10302.42850681846,8840.2397696518,18674.814605185034,27914.844232553543,29568.169275394866,29944.24361444261,26801.029591185805,25322.074436147228,23843.119281108648,93.05555555555556,112.77777777777777,185.8333333333333,243.9166666666666,255.66666666666663,246.41666666666663,225.16666666666663,212.91666666666663,200.49999999999997,47.225114645161234,53.2707540163935,31.73020496666671,22.959005871345045,20.516680900000015,19.10469036111111,19.956438024691362,19.844354450980397,19.71826043055556,157.67508550138217,210.91408230818124,148.07520834674293,116.11820584341565,109.36506706791107,102.53750108616518,105.98887747331048,105.64313598510599,105.2541768108756,6.983642064516124,7.249349967213123,7.101626266666674,7.001355695906447,6.986947600000016,6.960204644444463,6.9721343209876725,6.971247450980413,6.970249722222244,1.2008345484460952,1.635376410163933,1.247835120550618,1.0317488949957871,0.9912096034345704,0.9410229303975645,0.9651918670896563,0.9630036183603145,0.9605418385398045,166.1682017228784,144.92196343691475,155.62345504320862,163.2447031143482,164.26760708552703,166.3569089691256,165.43845426657904,165.5037544846224,165.57721722992116,1.5008960573476702,1.848816029143898,1.5486111111111107,1.4264132553606235,1.42037037037037,1.3689814814814814,1.3899176954732508,1.3916122004357296,1.392361111111111,0.08627559294270228,-0.007518822017003939,-0.02996614866114153,-0.0019270231381242845,-0.011449259853916732,0.004929740762712344,-2.3247590964897138E-5,-7.701758917403093E-5,4.937826148350988E-4,1640.2491541935458,-55.556826190423756,-519.0342945681575,-110.86169398543416,-239.61243404578966,107.964172438082,-5.543084699273981,-5.669063896984403,-5.795043094694824,3050.113343370109,-103.310290662548,-965.1664343076064,-206.1520539297846,-445.56955292550435,200.76398888388363,-10.307602696491589,-10.541866394138655,-10.776130091785493,0.3213135483870959,-0.010883200832480955,-0.10167525494278093,-0.021717044745060414,-0.046938430801249674,0.02114944016649648,-0.0010858522372516792,-0.0011105306971891842,-0.0011352091571267169,13.635425794728427,-0.4618450672407665,-4.314743031818778,-0.9215955990292422,-1.991903215174581,0.8975084413273616,-0.046079779951460495,-0.047127047677630415,-0.048174315403801224,74.06784932737338,-2.5087497352833656,-23.43775262893969,-5.006121920744498,-10.820049878699454,4.875280097815827,-0.2503060960371539,-0.2559948709470743,-0.26168364585699466,5.526881720430102,-1.5103191120360746,-1.2079431148109625,0.5522025667707248,-1.1318071453347216,0.31174124176205315,-0.011099549080819171,-0.015261879986125881,-0.1860908775580999,0.0013915418216564883,-1.2325937732793343E-4,-2.4971790550951274E-4,-1.1269141158621547E-5,-6.36069991884263E-5,2.7387448681735243E-5,-1.4350364793146382E-7,-5.033829357779799E-7,3.4290459363548525E-6,26.455631519250737,-0.9107676424659632,-4.325285788067979,-0.6483139999148196,-1.331180189143276,0.5998009579893444,-0.034216572217740625,-0.03705270520904838,-0.04024335482426961,49.1953765059695,-1.6936113223368525,-8.043053619230054,-1.2055675668408457,-2.4753864051416907,1.1153554937993535,-0.06362717713883696,-0.0689010875433899,-0.07483423674851036,0.005182476586888644,-1.7841312840132713E-4,-8.472937911898411E-4,-1.2700026166701997E-4,-2.607690600069426E-4,1.1749688981386933E-4,-6.702791587973329E-6,-7.258370569863949E-6,-7.88339692449109E-6,0.2199262224956198,-0.007571230610504369,-0.03595619193182315,-0.0053894479475394275,-0.011066128973192117,0.0049861580073742315,-2.844430861201265E-4,-3.080199194616367E-4,-3.345438569708418E-4,1.1946427310866674,-0.04112704484071091,-0.1953146052411641,-0.029275566787979518,-0.060111388214996966,0.027084889432310147,-0.0015450993582540365,-0.0016731690911573483,-0.001817247540673574,0.08914325355532422,-0.02475932970550942,-0.010066192623424687,0.0032292547764369867,-0.006287817474081787,0.001731895787566962,-6.8515735066785E-5,-9.97508495825221E-5,-0.0012922977608201382,-0.08857755865447561,-0.17945411458223304,-0.008098312952755373,-0.045709728732916316,0.019681369438924432,-1.0312564502059836E-4,-3.61744740936894E-4,0.002464206165412207,-0.03442622950819499,-0.16349206349206355,-0.024505708716235586,-0.050317460317461246,0.02267195767195701,-0.001293356848912964,-0.001400560224090155,-0.001521164021164495,-0.03442622950820074,-0.16349206349206594,-0.024505708716235943,-0.05031746031746135,0.02267195767195751,-0.0012933568489127483,-0.001400560224089946,-0.0015211640211642609,-0.03442622950824355,-0.1634920634920848,-0.02450570871623869,-0.050317460317461496,0.02267195767196121,-0.0012933568489109997,-0.0014005602240880727,-0.0015211640211623173,-0.03442622950819411,-0.16349206349206166,-0.02450570871623445,-0.0503174603174595,0.022671957671957645,-0.0012933568489123285,-0.0014005602240895645,-0.0015211640211639829,-0.03442622950821544,-0.16349206349207232,-0.02450570871623683,-0.05031746031746129,0.02267195767195877,-0.0012933568489121327,-0.0014005602240892599,-0.0015211640211635277,-0.2777476558014931,-0.1129215304798965,0.03622545338703441,-0.07053610030263739,0.01942823173367921,-7.68602584426231E-4,-0.0011189949390910954,-0.014496865542585457,1.6060592480623632,1.3433365809768096,1.0103128646919441,1.0419423391614016,0.911219469534224,0.9582320493117131,0.9568996940999087,0.9530439433550993,1.5500000000000038,1.3882341269841303,1.05318852687274,1.0505555555555581,0.9254894179894202,0.9727366255144057,0.9711017740429528,0.9692625661375686,1.5500000000000014,1.388234126984128,1.0531885268727381,1.0505555555555564,0.9254894179894186,0.972736625514404,0.9711017740429512,0.9692625661375669,1.5500000000000016,1.3882341269841312,1.0531885268727408,1.050555555555559,0.9254894179894207,0.9727366255144061,0.9711017740429531,0.9692625661375686,1.5499999999999945,1.388234126984122,1.053188526872734,1.0505555555555524,0.9254894179894148,0.9727366255143995,0.9711017740429466,0.9692625661375619,1.5500000000000012,1.3882341269841276,1.0531885268727377,1.050555555555556,0.9254894179894183,0.9727366255144037,0.971101774042951,0.9692625661375666,1.8696498054474726,1.073038261997407,0.876717978474072,1.0730382619974073,0.8584306095979257,0.9197470817120632,0.9377813382162213,0.9708441418071776,245.1441290541435,122.57206452707172,188.51136515673733,245.14412905414343,12.257206452707171,122.57206452707172,-7.105427357601002E-14,8.881784197001252E-16,4.4408920985006264E-17,-69.31471805599453,207.5839212555886,10.37919606277943,10.671071395385994,245.1441290541435,122.57206452707172,188.51136515673733,245.14412905414343,12.257206452707171,122.57206452707172,-7.105427357601002E-14,8.881784197001252E-16,4.4408920985006264E-17,-69.31471805599453,207.5839212555886,10.37919606277943,10.671071395385994,245.1441290541435,122.57206452707172,188.51136515673733,245.14412905414343,12.257206452707171,122.57206452707172,-7.105427357601002E-14,8.881784197001252E-16,4.4408920985006264E-17,-69.31471805599453,207.5839212555886,10.37919606277943,10.671071395385994,245.1441290541435,122.57206452707172,188.51136515673733,245.14412905414343,12.257206452707171,122.57206452707172,-7.105427357601002E-14,8.881784197001252E-16,4.4408920985006264E-17,-69.31471805599453,207.5839212555886,10.37919606277943,10.671071395385994,245.1441290541435,122.57206452707172,188.51136515673733,245.14412905414343,12.257206452707171,122.57206452707172,-7.105427357601002E-14,8.881784197001252E-16,4.4408920985006264E-17,-69.31471805599453,207.5839212555886,10.37919606277943,10.671071395385994,245.1441290541435,122.57206452707172,188.51136515673733,245.14412905414343,12.257206452707171,122.57206452707172,-7.105427357601002E-14,8.881784197001252E-16,4.4408920985006264E-17,-69.31471805599453,207.5839212555886,10.37919606277943,10.671071395385994,280.46234801789285,140.0714517867242,217.6680700814855,280.1748480178928,14.00874240089464,140.0714517867242,-0.3194444444444855,1.7208456881689926E-15,8.604228440844963E-17,-67.9919210915038,182.24509905632618,9.11225495281631,10.410704958407752,0,11.889999999999995,12.11038549882426,-0.17050522948272923,0.05012043345042741,5.12476264941049,9.51453238030831,19.0,61.0,61.0,61.0,19.0,0.0,0.0,0.0,0.0,0.0,45.91469399999999,3.6242964864526988,3.4893615023681432,3.4293830300783896,3.252161376948358,3.1286915167394893,2.915766748434087,2.7390261549841584,2.6326539299734457,1.985699154297529,1.9125734062351218,1.8637737475780003,1.7443110491644713,1.6591475358275305,1.5196670930812306,1.4094596579065162,1.3739060292622876,3.648257463109216,3.518392683790282,3.4590180810612106,3.2859179810899777,3.165135454650732,2.9576288527206387,2.786344672675794,2.6863427611379334,1.931943002361169,1.8515552757000433,1.8009161622966272,1.6738612111346094,1.5836068601317577,1.4348482031422738,1.31721676943067,1.274591678365193,3.7542601238631037,3.6451671729723336,3.5887751889294757,3.4337555194527143,3.3248768942659517,3.1409256665766008,2.99241364435363,2.918012723772352,1.7755550506414721,1.6703024126325567,1.6145599426225432,1.4630864087796058,1.356558291390454,1.1771628780642356,1.0328698409401575,0.9630209636650716,3.665942618188103,3.5397330589537326,3.48082258689964,3.3107662275581515,3.19197575827219,2.9884636346094884,2.8211509396823886,2.725731803249503,1.8978678113607745,1.8125485832256458,1.760759605635726,1.6286653646979559,1.535040997140325,1.3800648814405945,1.2572781510387956,1.209606656610518,3.8062914077813548,3.706385728731889,3.6516042133021442,3.5051703580139626,3.401989064501533,3.229023243005345,3.0905773519549444,3.0269311200166937,1.7272978052890213,1.6131822946921068,1.5559894705953765,1.3964260972838343,1.2845420101205238,1.0947179609352164,0.9406767013884854,0.8602158928573659,3.6644926039066896,3.5541584013190937,3.511646446489053,3.359139370927414,3.261587230338461,3.084530546090145,2.920992623999322,2.8851876358477355,1.8832974546709271,1.7781590010263346,1.7149637213971392,1.5629225300572689,1.4484214009206586,1.2708479080888877,1.1318470936561693,1.0318661580013642,0,0,0,0,0,4,14,2,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.47140452079103173,0.0,0.16666666666666666,0.0,0.47140452079103173,0.0,0.16666666666666666,0.0,1.1380711874576983,1.040440114519881,1.1380711874576983,1.1380711874576983,1.040440114519881,1.1380711874576983,15.054195474990921,9.718744015013407,7.0674519435077885,4.997443194964402,3.062321450962862,1.9987215974822006,1.2954584650859153,0.8326941320744337,0.7527097737495461,0.5115128428954424,0.35337259717538944,0.24987215974822008,0.17012896949793677,0.11757185867542357,0.08096615406786971,0.05551294213829558,15.054195474990921,9.718744015013407,7.0674519435077885,4.997443194964402,3.062321450962862,1.9987215974822006,1.2954584650859153,0.8326941320744337,0.7527097737495461,0.5115128428954424,0.35337259717538944,0.24987215974822008,0.17012896949793677,0.11757185867542357,0.08096615406786971,0.05551294213829558,31.378383879503296,59.64457392571022,56.23529411764698,56.96000000000006,36.769644311377306,476.85066227544917,0.5061029657984403,0.9620092568662939,0.9070208728652739,0.9187096774193557,0.593058779215763,7.691139714120148,7.759800000000008,94.31400000000009,122.57206452707172,188.51136515673733,245.14412905414343,12.257206452707171,122.57206452707172,8.881784197001252E-16,4.4408920985006264E-17,-69.31471805599453,207.5839212555886,10.37919606277943,10.671071395385994,472,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,14.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.000000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.555161133431678,0.0,20.22851118117318,0.0,0.0,0.0,1.8829943520618118,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.297627650364113,0.0,1.3667588365229897,0.0,0.0,0.0,0.9414971760309059,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.479952916351726,0.0,1.4663469756738987,0.0,0.0,0.0,0.941497176030906,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,31.666666666666668,1.5833333333333335,0.2,2.479952916351726,0.2,0.9414971760309059,14.678244598594228,0.3918361573024273,0.4799529163517259,3.1103222668633546,0.3918361573024273,0.4799529163517259,3.1103222668633546,10.0,0.5,0.0,0.0,0.42903,0.7,0.42903,0.42903,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.2,0.1,0.0,9.5,0.475,9.5,0.475,0.0,0.0,-9.5,-0.475,0.0,0.0,29.66319,1.48316,29.66319,0.0,0.0,9.71873,0.48594,9.71873,0.0,0.0,0.19527,0.00976,0.19527,0.00976,0.0,19.0,0,0,0,0,0,0,1.0,0.9071657675730821,1.2803204932011594,2.359925846271707,3.1643916827944873,3.293423940859003,3.08271203841902,56.24427758953109,79.37987057847188,146.31540246884583,196.19228433325821,204.1922843332582,191.12814638197924,0.15235738297552684,0.21502826350681242,0.39634666431049703,0.5314557192671533,0.5531265294551586,0.5177377227286482,5.047030542813793,4.673875817185716,3.594270464115169,2.7898046275923885,2.660772369527873,2.871484271967856,0.1529600310955371,0.2158788056743178,0.3979144096173157,0.5335578871032634,0.5553144159664247,0.5197856291652593,6.702063665338736,11.17992037287566,15.828673866870014,17.651690937585414,17.781732877198316,15.000354591280164,79.17093669257332,64.74747399455424,55.38668691660794,46.54041155644507,46.090914640251995,56.47944779007605,20.0,15.39,13.77,20,0,18,3.66,2.9265999999999988,0.6952516868166521,9.693712751441428,2.3094010767585034,0.0,19.76799792698123,7.140571227806863,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.121,0.10400000000000001,0.049000000000000044,0.010000000000000009,9.298,20.0,20.0,18.0,17.0,16.0,15.0,14.0,13.0,10.0,182.0,2.995732273553991,3.044522437723423,3.044522437723423,2.9444389791664403,2.8903717578961645,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,2.3978952727983707,5.209486152841421,1.0,0.47058823529411764,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,0.7894736842105263,19.0,1.0,2,9.0,17.0,0.8888888888888888,2.0,1.333333333333334,0.625,0.40000000000000024,0.27777777777777785,0.20408163265306128,0.15625,0.12345679012345678,0.06000000000000002,0.01652892561983471,0.10526315789473684,0.0666666666666667,0.03125,0.022222222222222237,0.016339869281045756,0.01275510204081633,0.010416666666666666,0.008818342151675485,0.004615384615384617,0.001652892561983471,0.29428423050097263,122.57206452707172,188.51136515673733,245.14412905414343,12.257206452707171,122.57206452707172,8.881784197001252E-16,4.4408920985006264E-17,-69.31471805599453,207.5839212555886,10.37919606277943,10.671071395385994,0.0,354.4761512181353,5.321928094887363,4.3694478524670215,5.0689042022202315,5.7899601708972535,6.511745329644728,7.243512974665482,7.976938756959434,8.716535732544495,9.457903327831136,10.203481027702058,104.33842937493183,3.6635616461296463,0.0,4.77912349311153,0.0,6.0473721790462776,0.0,7.392031567514591,0.0,8.784009071186633,9.076694687106265,282.3286513440007,4.553687924903238,38.46937583556648,1.923468791778324,0.0,0.0,0.0,1170.0,20.0,11.598000000000004,78.0,1.2407049180327867,2.143338713136268,2.8828564423248766,3.5912946322778723,4.683467434930269,5.777567009197186,6.949481576183595,8.115268064138753,9.301198255329037,10.490249404300734,77.71358696762296,76.34929795814531,78.57027974200248,93.01010386569227,109.02314360325927,137.79758363719998,160.7863015946748,183.57161922560059,205.73719300448806,205.4544451201193,288.83256483240365,340.87376352733634,366.4589779888865,453.6005099744009,540.4316687320393,682.6160492503809,805.7459401626326,927.9597777214874,1049.5247081193836,1127.6404007970432,9.031487491213124,15.273141220670563,20.241005044534223,25.252784118194832,32.751957795735116,40.4654028880782,48.63393567293127,56.75899786435746,65.01873684373643,73.28372874027177,2.1763301904140984,2.816967240457049,3.1567521471526896,3.948210130113634,4.787999762729064,6.0235597239881065,7.148267719491266,8.26532778438708,9.38524826222296,10.303475907015832,177.4904081567796,329.8370932608788,466.7222651226461,578.049523071643,767.7879278547464,942.2840405117117,1136.3194569314662,1329.3966889063859,1526.213260466859,1723.5137731692603,2.354216757741347,3.4053010697764283,4.216996592983821,5.343518010354847,6.647249174233575,8.300766535221463,9.956652217639485,11.586886334092497,13.361531589926859,15.329324307832636,0.45075577868852407,0.5937372553719769,0.6714507929261939,0.8407733020661639,1.0235562313135518,1.2864541418492674,1.5281330562345987,1.7681962140672367,2.0091824552361266,2.2127592308116277,769.3384726519912,827.3766494757866,19.31652971357536,220.5493926845816,-237.18743316484583,-13.303743685175094,548.7890799674096,1064.5640826406325,32.620273398750456,0.7771975994375964,0.8358286614559814,0.01951385645788023,0.2228024005624034,-0.23961040585561622,-0.013439647207566963,761.558818414779,819.0101053789124,19.121198363881597,218.31916752581805,-234.7889619002103,-13.169214437502887,0.027778067250062922,0.06059466844810138,0.27591397729226436,4.024670724773098,989.887865336573,0.0,1.0,0.0,1179.5498137768489,34.344574735711156,10.56587403532911,1586.4053292119308,39.82970410650738,11.662850805466613,2189.521035948387,46.792318129671536,12.985231821112652,4.281201214624363,4.281201214624363,10946.655875412722,10831.51616575894,219.63998509910874,1.0106300639625843,49.83908494836781,49.31486478143497,8.12249480437441,11.81300525150958,22.40291636690961,0.8964620678592139,11.713823244311875,18.021962642064587,6.581901962591366,82.41637279512624,31.50015805952811,8.45564455394766,16.256414751198598,28.435391639832794,62.81143132002582,11.003374136607317,6.065616939064123,59.98839714213767,13.25316703508697,73.03746912182254,6.739551797855504,7.9960942888115625,32.83471783334251,10.100638749192049,65.34720422553349,6.97713269218276,9.118490914171502,23.15722903319138,6.115103238595309,48.28544455029702,7.26126927651488,2.746377097351074,10.355508446711738,4.25210122570144,32.36227732104266,7.251381242989022,0.9830600141988554,18.0210298833784,0.4488348830958972,20.95556489839962,2.2030235183646325,0.20280543567917783,2.151391244279136,1.3921944958972043,15.44525296899112,0.4512702230743917,0.06591862006862813,5.628449732311566,0.6290909173158815,14.935838471725782,0.179281083339001,0.2449997704485452,4.801834792236041,0.1302587924094944,13.404156502730316,0.3759692405187621,0.5226496742759943,1.0737080196797943,0.20480308810050235,7.672150040114218,0.2621385201174822,0.2694805259880538,0.09969807702048285,0.06239341496230284,4.826399715515097,0.30676767121346327,3.1734375612190093,18.021093865810368,1.5171182047226117,26.448135601332854,4.176591361380084,0.9882345210864483,4.839449745493648,4.988422818174096,21.782563784812655,1.7669756324860433,0.49620639747789375,14.192615841704518,2.3491469786214374,23.92322716136398,0.8332979295076358,1.0351972016049997,8.287749715583532,0.89321828204767,21.32735600589786,1.3517682301976564,1.7590694859876328,2.9062434792128844,0.8643396116749454,13.847242478361272,1.0750276859156407,0.686916130693044,0.8266833036354043,0.3954388070959764,8.870242635665447,1.189141804971514,11.056893608616258,18.021860818336904,6.141486120843087,76.15870715489619,28.28920544258215,7.6323217038933295,15.325318427564481,26.099226868014533,58.7332622532139,10.0608531006361,5.4172948875824405,55.76483259875957,12.177227278710266,68.46437150148174,6.0955801436655745,7.241406426865383,30.327473408099827,9.040194319448517,61.21937541235406,6.4415405567884765,8.408946649482612,20.858900932923095,5.559810254688147,45.05092963820895,6.614944007998456,2.563558080522544,9.244252350435392,3.810886239593024,30.11872509481948,6.636911717468693,4.6770630793830055,18.021175322529487,2.3049777618664278,32.31276238059819,6.721026859587975,1.7943836056820643,6.741452503115107,8.028356090902754,27.122012219555316,2.9190462564385733,1.0274529051588972,20.823408462269448,3.7843093403810872,30.94566062850343,1.4856727221481578,1.8127941265405776,11.344693359427874,1.7947108307022501,27.561978317300202,2.131971017831782,2.7616897028786704,4.958538530556542,1.4794712680948605,18.714221339147056,1.8158892263840822,0.9996466783460863,1.7314614741215018,0.7791051186648419,12.114403558418214,1.9537669031783902,14.146137998080983,18.02239042673087,8.286313832400793,108.41866690067826,44.99822503077933,11.865205738703743,19.78059654052452,37.85792802639958,79.24909221173205,14.829791477302996,8.7851442601211,76.64334150577555,17.58103820411542,91.1233616784602,9.399066676039846,11.108477347427863,43.01614030448437,14.538002069895548,81.70697999201295,9.109467740226489,11.953752128097252,32.74145914195881,8.390772333250867,61.11092017832652,9.901665764427522,3.458682062853174,15.018857090254686,6.095462041706205,41.302510377427765,9.741449933222073,7.639248399938011,16.689332130383956,3.681777910092979,46.699305322482886,14.172869310682588,4.08605731741284,10.067365025923342,15.586333320936015,38.242692042537364,5.811747539263098,2.468821873194856,33.75648952948431,7.472955055655447,44.35399900168119,3.0341363749848824,3.6328848686870736,19.299992948275637,4.190978069446154,40.17874098647935,3.9389609824952982,4.968929005635212,10.877685625113536,3.1721537202816816,28.571856934805755,3.4438406482643096,1.5516960794905594,4.208576424098318,1.7803006221645514,19.06187729808781,3.555856277888978,40.56667383207327,1.1345872644862638,0.6227136539526755,0.9584797758528653,0.02680720020211554,0.50508306615282,0.38629625892872393,0.42079163235985395,42.32397475051221,71.99437616431166,142.97963824788275,0.9377196637792978,1.3121709574413978,38.17942354076583,0.5927928350348566,0.18498997660283178,0.9800349438663047,0.015216512951994141,0.44740278829636226,0.10526930193469193,0.03712106930484673,38.95720635240352,29.80496012092642,72.9489500322411,0.9700524157994571,0.589793159535901,39.142188818624454,0.8113597491185676,0.3615419573506485,0.970906633441908,0.020125460182547426,0.470242882532268,0.19737555776265067,0.14183172286509094,40.315090525093666,46.203280652116746,98.0003640100772,0.9563599501628619,0.8094501631600096,40.50902591521616,1.1215099995384676,0.6121453192200279,0.958959628789752,0.02654921436749302,0.503648857505436,0.37743227736145696,0.40663142834376975,42.24268123397465,70.91521533231615,140.9684405170341,0.938439443184628,1.2877125632106627,39.565055902365216,0.9073311097083274,0.43907843529809387,0.9670896769332685,0.022177917602964257,0.48045505258163107,0.2469047840900515,0.20920290118435803,40.91146544737164,53.66915843960519,110.34292767289674,0.9506345153999027,0.9365627378560406,40.74668968106904,1.1754214858653302,0.6557145789187985,0.9569931993306994,0.02760642342052446,0.5095748051237348,0.4146366072154334,0.46656672411861017,42.57782574585317,75.38347400022911,149.36644428728766,0.9354897989960489,1.3907781364577783,40.58485291554143,1.1270326449752675,0.6142260690131418,0.9588608864138236,0.0266273607847541,0.5055353998730892,0.38083558559098135,0.4088379475515845,42.32611162952984,71.36098162629706,141.78207258933574,0.9382913296207354,1.2952089330156549 +UMLCN0270,L,n-octane,CCCCCCCC,Alkanes,,C8H18,NREL (2014),CFR,PubChem,,64,0,-1.6254000000000008,2.6419251600000027,29.267,26.082273999999977,0,0,26,8,18,0,8,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1172.4021199999981,1227.7764309999995,1240.990133999998,1068.6189409999965,871.8622120000002,675.1054830000003,478.3487540000002,281.5920250000005,84.835296,3947.6426137513863,5029.877406914643,6356.204834782694,6095.416356169891,5088.6180112147695,4081.8196662596565,3075.02132130453,2068.2229763493997,1061.4246313942745,181.25648000000004,180.90098800000004,339.393624,437.75185999999974,374.86695999999995,311.9820600000001,249.09716000000023,186.21226000000007,123.32735999999997,30.314232287281975,39.56609758000001,55.47508415818806,57.1242650151681,48.102736155772085,39.08120729637604,30.05967843697998,21.038149577583987,12.016620718188005,4342.872585156482,3643.766351462201,7573.45439221799,10532.522885761371,9053.567730722774,7574.6125756841775,6095.657420645581,4616.702265606985,3137.747110568388,39.5,47.25,74.0,85.75,73.5,61.25,49.0,37.0,24.0,45.09238923076916,49.11105723999998,25.85396112499996,16.962205412698356,16.145596518518524,15.002344066666673,13.287465388888895,10.429334259259278,4.713072,151.83240822120717,201.19509627658573,132.4209340579728,96.75264057412525,94.23366687434758,90.70710369465904,85.41725892512584,76.6008509759037,58.96803507745969,6.971403076923078,7.236039520000002,7.0707005,6.948442222222218,6.94198074074074,6.932934666666669,6.9193655555555615,6.896750370370373,6.851519999999998,1.1659320110493068,1.5826439032000004,1.1557309199622512,0.9067343653201285,0.8907914102920756,0.8684712732528009,0.8349910676938883,0.7791907250957032,0.6675900398993336,167.033560967557,145.75065405848804,157.7802998378748,167.18290294859318,167.65866168005138,168.32472390409282,169.32381724015502,170.9889728002587,174.319283920466,1.5192307692307692,1.89,1.5416666666666667,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3703703703703705,1.3333333333333333,0.03734679146671596,-0.004413884546723046,-0.016945090187569945,-9.904870167051533E-5,-1.3072470186812051E-6,1.3206114623642374E-5,4.1117922742003486E-5,-2.2712817797470772E-4,-0.0017681162215113407,670.519434461538,-58.02572028994014,-287.97950069822434,-13.610971426035627,-14.327338343195317,-15.04370526035512,-15.760072177514894,-16.476439094674724,-17.192806011834527,1246.859520586465,-107.9013046661365,-535.5101787134175,-25.310182576007474,-26.64229744842883,-27.97441232085019,-29.306527193271602,-30.63864206569296,-31.970756938114317,0.13135015384615364,-0.011366840236684104,-0.056413207100590015,-0.002666295857988609,-0.002806627218935389,-0.0029469585798821965,-0.0030872899408289764,-0.00322762130177577,-0.0033679526627225734,5.57404219300985,-0.48236903593353014,-2.393979659818322,-0.11314829237947804,-0.11910346566260782,-0.12505863894573804,-0.13101381222886782,-0.13696898551199804,-0.1429241587951286,30.27828565910215,-2.6202362589608965,-13.004135507434977,-0.6146233200031154,-0.6469719157927559,-0.6793205115823912,-0.7116691073720246,-0.744017703161658,-0.7763662989512942,2.538461538461536,-0.6715976331360944,-0.8402366863905315,0.041420118343196144,0.035502958579882504,0.029585798816568643,0.023668639053254892,0.2677514792899409,-0.4881656804733724,0.0014364150564121524,-1.7655538186892185E-4,-3.5302271224104054E-4,-1.5722016138177036E-6,-2.420827812372602E-8,2.934692138587194E-7,1.1421645206112078E-6,-8.41215473980399E-6,-9.822867897285226E-5,25.789209017751464,-2.3210288115976057,-5.999572931213007,-0.216047165492629,-0.2653210804295429,-0.3343045613412249,-0.43777978270874707,-0.6102384849879527,-0.9551558895463627,47.95613540717173,-4.31605218664546,-11.156462056529532,-0.4017489297778964,-0.49337587867460797,-0.6216536071300042,-0.8140701998131,-1.134764520951591,-1.7761531632285732,0.005051928994082832,-4.5467360946736417E-4,-0.0011752751479289587,-4.2322156476009666E-5,-5.197457812843313E-5,-6.548796844182659E-5,-8.575805391191602E-5,-1.195415296953989E-4,-1.871084812623652E-4,0.21438623819268654,-0.019294761437341205,-0.049874576246215045,-0.0017960046409440959,-0.0022056197344927373,-0.0027790808654608455,-0.003639272561912995,-0.005072925389333261,-0.007940231044173811,1.1645494484270058,-0.10480945035843586,-0.2709194897382287,-0.009755925714335164,-0.011980961403569555,-0.01509601136849758,-0.019768586315889573,-0.027556211228209556,-0.04313146105284968,0.09763313609467447,-0.026863905325443777,-0.017504930966469406,6.574621959237483E-4,6.5746219592375E-4,6.574621959237476E-4,6.57462195923747E-4,0.009916721455182997,-0.027120315581854022,-0.12291390366647799,-0.24576650785241233,-0.0010945315609157675,-1.6853261190531483E-5,2.0430669572048395E-4,7.95149365437649E-4,-0.005856353776195924,-0.06838460689642575,-0.08999999999999898,-0.23263888888888862,-0.008377425044091792,-0.01028806584362144,-0.012962962962963048,-0.01697530864197543,-0.023662551440329475,-0.03703703703703751,-0.0900000000000001,-0.23263888888888887,-0.008377425044091768,-0.010288065843621434,-0.01296296296296297,-0.0169753086419753,-0.02366255144032915,-0.03703703703703684,-0.08999999999998204,-0.23263888888888226,-0.008377425044093117,-0.010288065843623167,-0.012962962962965357,-0.016975308641978493,-0.02366255144033382,-0.03703703703704458,-0.08999999999999728,-0.23263888888888784,-0.00837742504409205,-0.01028806584362176,-0.012962962962963401,-0.016975308641975804,-0.023662551440329884,-0.03703703703703814,-0.09000000000000459,-0.2326388888888903,-0.008377425044091348,-0.010288065843621,-0.012962962962962411,-0.016975308641974485,-0.02366255144032794,-0.03703703703703499,-0.27515151515151526,-0.17929292929292923,0.006734006734006882,0.0067340067340069,0.006734006734006876,0.006734006734006869,0.10157126823793503,-0.2777777777777778,1.6578666568011875,1.3813968939773575,0.907262172600346,0.9017949911575942,0.8953367297228088,0.8853605442826515,0.8742838469860015,0.8679466651334048,1.625000000000002,1.4105902777777797,0.9314373897707244,0.9194958847736637,0.9027777777777789,0.8777006172839517,0.8359053497942395,0.7523148148148153,1.6249999999999982,1.410590277777776,0.9314373897707219,0.9194958847736615,0.9027777777777769,0.8777006172839499,0.8359053497942381,0.7523148148148143,1.6250000000000002,1.4105902777777777,0.931437389770723,0.9194958847736625,0.9027777777777778,0.8777006172839507,0.8359053497942389,0.752314814814815,1.6249999999999991,1.4105902777777772,0.9314373897707227,0.9194958847736621,0.9027777777777773,0.8777006172839502,0.8359053497942381,0.7523148148148143,1.6249999999999991,1.4105902777777766,0.9314373897707225,0.9194958847736622,0.9027777777777772,0.87770061728395,0.8359053497942378,0.7523148148148141,1.8712121212121229,1.1284722222222234,0.7816257816257823,0.8207070707070715,0.8754208754208763,0.9574915824915834,1.0030864197530873,1.641414141414143,43.67270669397949,21.836353346989743,34.97342453153384,43.67270669397949,5.4590883367474365,21.83635334804216,-1.0658141036401503E-14,2.7755575615628914E-16,3.469446951953614E-17,-28.656407870242358,32.7162929366335,4.089536617079188,2.7902985670066807,43.67270669397949,21.836353346989743,34.97342453153384,43.67270669397949,5.4590883367474365,21.83635334804216,-1.0658141036401503E-14,2.7755575615628914E-16,3.469446951953614E-17,-28.656407870242358,32.7162929366335,4.089536617079188,2.7902985670066807,43.67270669397949,21.836353346989743,34.97342453153384,43.67270669397949,5.4590883367474365,21.83635334804216,-1.0658141036401503E-14,2.7755575615628914E-16,3.469446951953614E-17,-28.656407870242358,32.7162929366335,4.089536617079188,2.7902985670066807,43.67270669397949,21.836353346989743,34.97342453153384,43.67270669397949,5.4590883367474365,21.83635334804216,-1.0658141036401503E-14,2.7755575615628914E-16,3.469446951953614E-17,-28.656407870242358,32.7162929366335,4.089536617079188,2.7902985670066807,43.67270669397949,21.836353346989743,34.97342453153384,43.67270669397949,5.4590883367474365,21.83635334804216,-1.0658141036401503E-14,2.7755575615628914E-16,3.469446951953614E-17,-28.656407870242358,32.7162929366335,4.089536617079188,2.7902985670066807,43.67270669397949,21.836353346989743,34.97342453153384,43.67270669397949,5.4590883367474365,21.83635334804216,-1.0658141036401503E-14,2.7755575615628914E-16,3.469446951953614E-17,-28.656407870242358,32.7162929366335,4.089536617079188,2.7902985670066807,48.99302775176585,24.43401387588293,39.535867752698394,48.89927775176585,6.112409718970731,24.434013875956705,-0.1249999999999929,4.996003610813204E-16,6.245004513516506E-17,-28.18617853832066,31.858133300190232,3.982266662523779,2.7690341696496144,0,11.89,12.110114161591724,-0.17050515057365,0.04982098882076842,5.097566341212658,7.171461661790898,7.0,25.0,25.0,25.0,7.0,0.0,0.0,0.0,0.0,0.0,19.677725999999996,3.485937838152095,3.2355864873736713,2.855831105576111,2.400922335658785,1.9406938316395108,1.5465552043711546,1.2658825446206619,1.106895864067901,1.916494584029183,1.754106844451537,1.506678790816816,1.2169469456518394,0.9423459394080121,0.7286240430343299,0.5887482951427374,0.512975204775906,3.5155636708804834,3.2716120947379865,2.9022786085899215,2.4616019512415437,2.019013540267147,1.6441953055990581,1.3805861459058226,1.2326212853267229,1.8546079383976457,1.680754733254823,1.417602055175592,1.1100212147786561,0.8171915756620104,0.5877305328860245,0.4369734600983192,0.35527987715213316,3.6447929597135396,3.428603710771816,3.1032526312726723,2.720462520164741,2.346336963847093,2.041896452804149,1.8360502134086703,1.7232790511753968,1.6703848605013678,1.459593071496985,1.1425207066971588,0.7701939620033745,0.40787130654807996,0.11485492018001757,0.0822088460409866,0.1898828926488909,3.537333935777278,3.2980895332299736,2.936362110821473,2.505957839100131,2.075909854602532,1.714527311384185,1.4624646173188083,1.3217865766310872,1.8150110757492368,1.6335522601203825,1.359701252529803,1.0397260788948015,0.7340258826913217,0.4932358108685326,0.33451406733909084,0.24844738660044532,3.7071051890497184,3.503964232684435,3.1984584352060144,2.8405131319123114,2.4941377223329986,2.216249518510344,2.0305866748773376,1.9294423893349704,1.612212042265575,1.3890871369921243,1.0529595545744457,0.656337898945913,0.2663438655392415,0.05377299336604968,0.27192548178555387,0.3919433129542698,3.5412570812077666,3.361098060511119,3.0387026085676236,2.6169236331747743,2.184053141209172,1.8273665804769637,1.5876284606769988,1.4576648883418446,1.7928023720210005,1.5590443068092574,1.2387228204118632,0.8997112924923788,0.5915177039189856,0.345972069399031,0.17847180461439732,0.08537516142243373,0,0,0,0,0,2,6,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.242640687119286,3.914213562373095,2.414213562373095,1.4571067811865475,0.8535533905932737,0.47855339059327373,0.25,0.125,0.7803300858899107,0.5591733660532993,0.40236892706218247,0.29142135623730947,0.21338834764831843,0.15951779686442458,0.125,0.125,6.242640687119286,3.914213562373095,2.414213562373095,1.4571067811865475,0.8535533905932737,0.47855339059327373,0.25,0.125,0.7803300858899107,0.5591733660532993,0.40236892706218247,0.29142135623730947,0.21338834764831843,0.15951779686442458,0.125,0.125,12.876450234072873,24.99053168244719,23.52941176470589,23.84,15.18699041916167,200.51160119760482,0.49524808592587977,0.9611742954787381,0.9049773755656112,0.916923076923077,0.5841150161216027,7.711984661446339,3.3668000000000022,39.05,21.836353346989743,34.97342453153384,43.67270669397949,5.4590883367474365,21.83635334804216,2.7755575615628914E-16,3.469446951953614E-17,-28.656407870242358,32.7162929366335,4.089536617079188,2.7902985670066807,74,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.511797052154195,0.0,8.488202947845807,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2558985260770976,0.0,1.364795918367347,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2558985260770976,0.0,1.44875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,1.625,0.2,2.2558985260770976,0.2,1.364795918367347,6.040410147392291,0.13520408163265307,0.2558985260770975,1.02359410430839,0.13520408163265307,0.2558985260770975,1.02359410430839,4.0,0.5,0.0,0.0,0.42308,0.7,0.42308,0.42308,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.25,0.0,0.0,3.5,0.4375,3.5,0.4375,0.0,0.0,-3.5,-0.4375,0.0,0.0,7.95768,0.99471,7.95768,0.0,0.0,3.91421,0.48928,3.91421,0.0,0.0,-2.1E-4,-3.0E-5,-2.1E-4,-3.0E-5,0.0,7.0,0,0,0,0,0,0,1.0,0.8904916402194915,1.1401156785146092,1.9877733714879842,2.4116022179746714,2.133937566094917,1.669180336866731,23.15278264570678,29.64300764137984,51.682107658687585,62.70165766734146,55.48237671846785,43.39868875853501,0.1894485821789581,0.24255511119829798,0.42289094014253187,0.5130588546146487,0.4539867957159626,0.3551115293372703,3.809948077921601,3.5603240396264835,2.7126663466531085,2.288837500166421,2.5665021520461755,3.031259381274362,0.19175693730143042,0.2455105481140915,0.4280436969311946,0.519310271339746,0.45951844305463635,0.35943842114277524,6.648700044059478,9.64418850360089,12.827879563680469,13.255024884453437,10.645787079253815,10.177393109834686,31.725216152945546,27.601553861865273,25.90958532876561,25.579064488104706,29.616110211691552,29.384818758488983,8.0,7.0,7.2,8,0,8,2.34,1.235800000000001,0.14285714285714285,4.008290259196815,0.0,0.0,7.473424936522629,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.08499999999999999,0.064,0.12700000000000003,0.04000000000000001,3.7659999999999996,6.0,5.0,4.0,3.0,2.0,1.0,0.0,0.0,0.0,36.0,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,0.0,0.0,3.6109179126442243,1.0,0.42857142857142855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.7142857142857143,7.0,1.0,0,4.0,7.0,0.75,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.0,0.0,0.0,0.0,0.07142857142857142,0.037037037037037056,0.025,0.020000000000000004,0.018518518518518517,0.020408163265306124,0.0,0.0,0.0,0.0,0.1923922902494331,21.836353346989743,34.97342453153384,43.67270669397949,5.4590883367474365,21.83635334804216,2.7755575615628914E-16,3.469446951953614E-17,-28.656407870242358,32.7162929366335,4.089536617079188,2.7902985670066807,0.0,146.92433570773346,4.0,3.295836866004329,3.8918202981106265,4.51085950651685,5.1298987149230735,5.75890177387728,6.385194398997726,7.016609683894219,7.645397699428633,8.27715777243181,66.91167671418455,2.70805020110221,0.0,3.6635616461296463,0.0,4.762173934797756,0.0,5.926926025970411,0.0,7.126890808898808,7.492760300922379,114.14085057599999,4.3900327144615385,14.83110795092203,1.8538884938652538,0.0,0.0,0.0,84.0,5.0,4.8919999999999995,26.0,1.2277999999999998,2.1182868507989574,2.8465400177521007,3.5797281874865554,4.913401903357393,5.91672680616637,7.223057649424549,8.28415228272695,9.473632882116036,0.0,71.22212779891997,61.675853098610155,59.177441106038955,75.27090464617561,87.95340148444146,93.65392552588042,85.40399456795707,42.1014706970879,9.625817320734349,0.0,272.54988247666296,300.90965516362866,303.7243620901419,398.06786238870995,490.43472843085715,559.766189816325,590.3808493022896,511.5622927402608,294.4759833401521,0.0,8.919363222559998,15.026712787684495,19.83189813715634,25.031721169353997,34.18217800489599,41.10932757533274,49.93323296609662,56.86908095869502,63.64826146771283,0.0,2.0816483842615994,2.574742545646061,2.745336147312844,3.5924872523715576,4.552734635363004,5.307122056897514,5.879857652743868,5.714834053209458,4.212099435190614,0.0,176.77647004622915,330.66468198944386,472.2565774298608,586.4896645890702,818.3270884486714,988.9860264953355,1226.1110773673072,1435.3219584874853,1751.841948700616,0.0,2.386469999999999,3.350630526545995,3.977551467074238,5.181400590629995,6.909107032475322,8.379154886216057,10.180674265946537,11.321224584805746,9.473632882116036,0.0,0.43219890000000016,0.5459297225751255,0.5891380128975009,0.7699993837230282,0.9810071389344748,1.1472557649396664,1.2813642819029283,1.2661983425172822,0.970100007128682,0.0,432.4639216112307,196.02772995198498,10.673894280937894,160.16798188258576,-72.60112192123863,-9.589930480884005,272.29593972864495,268.6288518732236,20.2638247618219,0.729734459217724,0.3307748516344096,0.01801100180062996,0.27026554078227566,-0.12250626652602431,-0.016181934223161616,256.2919170568644,116.17228673901673,6.325690285403988,94.92065598183996,-43.02574107997032,-5.683298755259662,0.05823905225077897,0.14376480975944134,1.0461541055277566,9.548794240651164,592.6319034938167,0.0,1.0,0.0,434.57098402304956,20.84636620668095,7.574493114672902,608.937633495227,24.676661716999465,8.475999811250393,664.5605004291978,25.779070976844718,8.726595414052781,3.0659008035146806,3.0659008035146806,1002.657106828994,979.832503461028,49.541698879169985,1.02329439295731,20.23865005668115,19.777935065383932,4.483445295324184,5.6454556919422,10.065582814166165,0.7829531154646816,5.020209961846432,6.639701281933537,2.706414528666493,25.900294657180883,11.466822947825575,0.14353009489485147,4.361559429918888,8.75531817040923,12.857182578195488,1.2097621238349086,2.1895224907132067,12.110210020348905,4.449840321105393,5.026730646682733,2.706479734066882,1.0890564555359257,0.14277361679172715,0.6352252801801717,2.008139857612635,1.273792687859013E-8,2.405680934114316E-38,8.763008205713223E-90,6.15664787726622E-163,8.342790099354308E-258,0.0,0.0,0.0,0.0,0.0,0.0,0.42131143465514287,6.63932707711358,0.18524633162654663,6.1224315488099625,0.08395921190739848,0.0012102944329652975,0.6455285311636692,0.33600227116970327,4.164392403235507,0.045590392118192206,0.018682648328738418,0.6536304382748162,0.14967404419379285,1.9965295100419356,0.11438401356157117,0.06078249529690903,0.002820634495492743,0.05329681364680284,0.014143493213294,8.97142605261346E-11,1.6943407520154841E-40,6.171858330270352E-92,4.336177439965565E-165,5.875895282036436E-260,0.0,0.0,0.0,0.0,0.0,0.0,1.3600446690923502,6.639352790929804,0.6255964877192743,7.577619182698982,0.8498147702969333,0.010920601734343146,1.4039804121475983,1.3474178090113265,5.335012957473015,0.18402953681288214,0.16709940250791158,2.3113845259211687,0.6306146329776232,2.6149360342148302,0.4435410956712769,0.21307395500086504,0.012173463934885933,0.17205733710979734,0.1473861039731093,9.34891764740767E-10,1.765633697958769E-39,6.431552232920199E-91,4.518631213482034E-164,6.123135917789497E-259,0.0,0.0,0.0,0.0,0.0,0.0,4.7386686894054515,6.639660448239627,2.5257947295081156,23.776118816434703,10.21893443028189,0.1279754572558269,4.134042183264883,7.989728737055405,12.111424756979428,1.1034011228476834,1.9523708626452743,11.168009704701504,4.046207212087023,4.8411806990829955,2.4770596035294146,1.0057288719631203,0.12740832140013553,0.5995917289987726,1.7892164595016595,1.1349263521016357E-8,2.143418401517005E-38,7.807682546100146E-90,5.485462417172714E-163,7.433275778748874E-258,0.0,0.0,0.0,0.0,0.0,0.0,2.0044556054483476,6.639385487441948,0.9499365597177197,9.343178205089291,1.8380430746326646,0.023328928451856332,1.9246544124288318,2.2516892518035045,6.3178770745457316,0.30851616175327584,0.3564847696465059,3.6515178324234325,1.0785878648039189,3.03948898889824,0.7288648980100952,0.334720249776598,0.024299088135460837,0.25358968588892294,0.3201423125376352,2.0307098394507202E-9,3.835192327643233E-39,1.3970190876538346E-90,9.815070805133794E-164,1.3300269427442345E-258,0.0,0.0,0.0,0.0,0.0,0.0,6.062630570604624,6.639872823376301,3.405002418297314,34.80224657149675,16.71285443618363,0.20889040480863508,5.203981203072245,11.873994756211964,15.860905155145913,1.643412506529672,3.185961232116059,15.87220571209792,6.103703006240761,5.713787642133085,3.636232231878862,1.420717985689173,0.20738241097593774,0.7671697138539075,2.9286832541856724,1.857706922202059E-8,3.508459552727724E-38,1.2780023906738514E-89,8.978892317541687E-163,1.2167175291372618E-257,0.0,0.0,0.0,0.0,0.0,0.0,3.1685743348960034,6.196098387543459,1.4835458500441197,13.365805550196933,4.350727986281223,0.054701549508326855,2.737635799657927,3.99129596568106,8.35341796570337,0.5494350571170717,0.8350295712025285,6.6161539253628945,1.9765922313483526,4.457739973606065,1.2597094831696725,0.6663895123884431,0.056146925999622524,0.4810521423889213,0.7604789993325954,4.823830297217565E-9,9.110270993095633E-39,3.3185356518677298E-90,2.331511622159989E-163,3.1593998009389094E-258,0.0,0.0,0.0,0.0,0.0,0.0,9.608306101624711,0.7629557135178665,0.5098010884615386,0.8830301034692271,0.07011775598366903,0.558317790027126,0.5965395059135519,0.6153666992143765,10.881062903604116,12.617992599542431,27.236260479043366,0.8245451552038405,1.7702239951550545,8.467167815994408,0.31692130080299075,0.11696255800826376,0.9512547646432209,0.03560492764018361,0.4338716072222189,0.10272089037183861,0.032391136743824975,8.901051674805663,3.7108353712353406,12.925747396321311,0.9268821469648313,0.5689836343378825,8.93735823471694,0.5008995588715712,0.278874782133034,0.9197526291909521,0.05154808324042825,0.48323874724257737,0.25696028280689037,0.1841411969404076,9.717132575721546,7.108810883149326,18.074387438123967,0.8796289437864282,0.9243402269898753,9.581707056420774,0.752576577716713,0.5006486790860343,0.8843347405804054,0.06945835524955048,0.5552375756306976,0.5804199432367398,0.5934697989922165,10.83493231322352,12.38481375593658,26.82990782609236,0.8265021108706081,1.7291273178596542,9.139551236850439,0.5799272978551802,0.34847926990465855,0.907786009260517,0.05760128410447075,0.505290346208376,0.34455733882280265,0.28753212245762433,10.067957804610277,8.68731203602386,20.6023058908827,0.8616790138907755,1.137379807488803,9.691072677698015,0.795246905391411,0.5382788492777367,0.87904087728456,0.07213386594260363,0.5679571305632354,0.6480939720424261,0.6860363132959939,11.024598432367162,13.351359595206572,28.52436307154051,0.8185613159268399,1.9020874159016554,9.619148854704754,0.7537216584497268,0.5020000006503444,0.884529966816062,0.06930856394960604,0.5595693762468735,0.5821844882633722,0.5966778404149613,10.874870513804826,12.457341831992345,26.97179308598899,0.8267949502240931,1.738431704925207 +UMLCN0271,L,"2,6-dimethyloctane",CCC(C)CCCC(C)C,Alkanes,,C10H22,Marquardt (2015),IQT,PubChem,,51.7,0,0.6927999999999988,0.47997183999999826,43.428599999999996,32.26944599999997,0,0,32,10,22,0,10,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1464.9946179999977,1564.7330249999993,1870.5392259999974,1716.2906959999962,1350.2109659999949,1077.7635169999958,992.9282210000002,620.5856179999998,178.81516800000003,4919.011394973758,6335.857675895376,8633.553884985819,9337.974922794447,8163.639332519281,6375.17005604826,5313.745424653991,4358.609484457959,2402.6029626669233,223.21136800000014,224.4525480000001,424.90007199999997,568.3353920000004,623.9641200000004,498.2180359999996,374.8906759999999,314.3533520000001,307.1208960000001,37.67048390667801,49.59807482000002,72.86331301758395,84.20092388062086,78.16241459275193,61.125781158809126,49.10916044062108,42.088371442433065,28.034757580016965,5336.131905433479,4509.845254493801,9432.792615526587,13114.358856790825,15149.225151368355,12196.781753979612,9059.034643411223,7378.375037127635,7939.753089355018,50.55555555555556,60.166666666666664,94.16666666666664,123.58333333333331,124.3611111111111,96.66666666666666,76.33333333333334,72.0,57.0,45.78108181249993,50.47525887096772,31.175653766666624,21.18877402469131,15.002344066666609,14.968937736111052,18.38755964814815,13.790791511111108,3.9736704000000005,153.71910609292993,204.38250567404438,143.89256474976364,115.28364102215366,90.70710369465868,88.54402855622584,98.40269304914798,96.8579885435102,53.39117694815385,6.975355250000004,7.240404774193552,7.081667866666666,7.016486320987659,6.932934666666672,6.919694944444439,6.9424199259259245,6.985630044444447,6.824908800000002,1.1772026220836878,1.5999378974193557,1.2143885502930658,1.039517578773097,0.8684712732527993,0.8489691827612379,0.9094288970485386,0.9352971431651792,0.6229946128892659,166.75412204479622,145.4788791772194,157.21321025877646,161.90566489865216,168.32472390409282,169.39974658305016,167.75990080391153,163.96388971394742,176.43895754122263,1.5798611111111112,1.9408602150537633,1.569444444444444,1.5257201646090532,1.38179012345679,1.3425925925925926,1.4135802469135805,1.6,1.2666666666666666,0.044365460486352426,-0.006996492279953904,-0.005985227964044524,-0.015222716213777233,-0.0019289834370307419,0.0038302970984869277,0.01010243243498001,-0.016920474013107537,0.0013834631706801147,832.3288118749986,-57.22260581640691,-122.9576653906256,-343.80854899609454,-25.53736127343757,94.58281953125015,108.77024246093757,-360.833456511719,78.0308261132817,1547.7509673946547,-106.40787900838224,-228.64502927421006,-639.3266780090432,-47.487813772336835,175.88079174939244,202.26291051180172,-670.9852205239338,145.10165319324878,0.16304749999999982,-0.011209515624996457,-0.024086562499997168,-0.06734973437499828,-0.005002593750001378,0.01852812499999843,0.02130734374999932,-0.07068479687499957,0.015285703124997205,6.919166958336868,-0.4756927283856387,-1.0221496642997479,-2.8580877151766435,-0.21229262258534393,0.7862689725382732,0.9042093184190183,-2.9996161302335396,0.6486719023440655,37.585024733086804,-2.583970450400118,-5.55233319920632,-15.525177830087731,-1.1531768952195276,4.271025537850962,4.911679368528469,-16.293962426900734,3.52359606872721,3.8333333333333317,-1.7100694444444438,0.5208333333333338,-1.0260416666666683,-0.3993055555555571,-1.5126788710517758E-15,1.7187499999999993,-1.2552083333333344,-0.5468750000000021,0.0013864206401985133,-2.2569329935335174E-4,-9.975379940074207E-5,-1.8793476807132386E-4,-2.1433149300341577E-5,5.319857081231844E-5,1.8708208212925946E-4,-3.760105336246119E-4,3.074362601511366E-5,26.010275371093705,-1.8458905102066745,-2.0492944231770935,-4.2445499876061055,-0.28374845859375075,1.3136502712673632,2.0142637492766218,-8.018521255815978,1.7340183580729267,48.36721773108296,-3.4325122260768466,-3.810750487903501,-7.892921950728929,-0.527642375248187,2.4427887742971173,3.745609453922254,-14.910782678309639,3.224481182072195,0.005095234374999994,-3.615972782256922E-4,-4.0144270833328613E-4,-8.314782021604726E-4,-5.5584375000015315E-5,2.573350694444227E-4,3.945804398148022E-4,-0.0015707732638888792,3.3968229166660456E-4,0.21622396744802713,-0.015344926722117378,-0.01703582773832913,-0.035285033520699303,-0.0023588069176149326,0.010920402396364905,0.0167446170077596,-0.06665813622741198,0.014414931163201455,1.1745320229089626,-0.083353885496778,-0.09253888665343867,-0.19166886209984854,-0.012813076613550307,0.05931979913681892,0.09095702534311981,-0.3620880539311274,0.07830213486060467,0.11979166666666662,-0.0551635304659498,0.008680555555555563,-0.012667181069958868,-0.0044367283950617455,-2.1009428764607996E-17,0.03182870370370369,-0.027893518518518543,-0.012152777777777825,-0.16278847328833482,-0.07195060179316064,-0.1355539311968225,-0.015459340894746555,0.03837116187530305,0.13493890433027042,-0.2712095613137822,0.022174818466862745,-0.07096774193548482,-0.07878787878787932,-0.16318742985409718,-0.010909090909090957,0.05050505050505067,0.07744107744107763,-0.30828282828282905,0.06666666666666717,-0.07096774193548369,-0.07878787878787868,-0.16318742985409682,-0.0109090909090911,0.05050505050505046,0.07744107744107753,-0.30828282828282877,0.06666666666666662,-0.07096774193546153,-0.07878787878786961,-0.16318742985409254,-0.010909090909093927,0.05050505050504629,0.07744107744107505,-0.3082828282828267,0.06666666666665455,-0.07096774193548075,-0.07878787878787749,-0.16318742985409618,-0.01090909090909133,0.05050505050505004,0.07744107744107707,-0.3082828282828282,0.06666666666666503,-0.07096774193549486,-0.07878787878788325,-0.16318742985409831,-0.010909090909089196,0.05050505050505274,0.07744107744107871,-0.30828282828282894,0.06666666666667276,-0.4604955586722768,0.07246376811594211,-0.10574342458400451,-0.037037037037037195,-1.7538305751324943E-16,0.26570048309178745,-0.23285024154589404,-0.10144927536231928,1.692111875747456,1.1717114161674849,1.2023611563156982,0.9160635623975952,0.810329484536825,0.7620211325693776,1.383128548226311,0.7037974597643738,1.6000000000000039,1.2775757575757607,1.2246913580246945,0.9018181818181842,0.8141414141414162,0.835016835016837,1.302626262626266,0.6012121212121225,1.6000000000000003,1.2775757575757576,1.2246913580246914,0.9018181818181819,0.8141414141414143,0.8350168350168353,1.3026262626262628,0.6012121212121216,1.5999999999999994,1.2775757575757571,1.2246913580246908,0.9018181818181813,0.8141414141414138,0.8350168350168347,1.302626262626262,0.6012121212121211,1.6000000000000019,1.2775757575757587,1.2246913580246916,0.9018181818181826,0.8141414141414152,0.835016835016836,1.3026262626262644,0.601212121212122,1.600000000000002,1.2775757575757585,1.2246913580246919,0.9018181818181824,0.8141414141414149,0.8350168350168361,1.3026262626262641,0.6012121212121218,2.072463768115943,0.786231884057971,1.1148684916800862,0.8960547504025769,0.7768719806763288,0.6115136876006443,1.692270531400967,1.0782608695652178,60.42848963464054,30.21424481732026,47.27477830035727,60.42848963464051,6.042848963464052,30.214244817320537,-1.7763568394002505E-14,0.023379475851008247,0.0023379475851008245,-3.7558967418803535,45.141032345122184,4.514103234512218,3.809791640979943,60.42848963464054,30.21424481732026,47.27477830035727,60.42848963464051,6.042848963464052,30.214244817320537,-1.7763568394002505E-14,0.023379475851008247,0.0023379475851008245,-3.7558967418803535,45.141032345122184,4.514103234512218,3.809791640979943,60.42848963464054,30.21424481732026,47.27477830035727,60.42848963464051,6.042848963464052,30.214244817320537,-1.7763568394002505E-14,0.023379475851008247,0.0023379475851008245,-3.7558967418803535,45.141032345122184,4.514103234512218,3.809791640979943,60.42848963464054,30.21424481732026,47.27477830035727,60.42848963464051,6.042848963464052,30.214244817320537,-1.7763568394002505E-14,0.023379475851008247,0.0023379475851008245,-3.7558967418803535,45.141032345122184,4.514103234512218,3.809791640979943,60.42848963464054,30.21424481732026,47.27477830035727,60.42848963464051,6.042848963464052,30.214244817320537,-1.7763568394002505E-14,0.023379475851008247,0.0023379475851008245,-3.7558967418803535,45.141032345122184,4.514103234512218,3.809791640979943,60.42848963464054,30.21424481732026,47.27477830035727,60.42848963464051,6.042848963464052,30.214244817320537,-1.7763568394002505E-14,0.023379475851008247,0.0023379475851008245,-3.7558967418803535,45.141032345122184,4.514103234512218,3.809791640979943,75.15409999771421,37.43816110996822,59.392826167794595,74.93187777549198,7.493187777549199,37.43816110996822,-0.27777777777777146,0.017571435211671815,0.0017571435211671815,-4.041480694765082,44.99003360453399,4.499003360453399,3.8064409897862093,0,11.889999999999997,12.110155106233554,-0.1647216991695027,0.05603313889218067,5.441365045181815,8.270761494706804,9.0,31.0,31.0,31.0,9.0,0.0,0.0,0.0,0.0,0.0,24.050553999999995,3.5603209393111146,3.364349874649156,2.9137441767030494,2.6464123604464005,2.333552793103043,2.1583085153899035,1.7709862225626716,1.4221804257629775,1.95068788861512,1.8159838311088756,1.5362349782530575,1.3956297466921659,1.2496297225843562,1.0585019157551026,0.8484407346872669,0.6418734254105818,3.5865880005109996,3.394603413993913,2.9574262927667614,2.701533199860603,2.405454587841289,2.22687385623873,1.8574354516905576,1.523108893624137,1.8933996374513657,1.7499445783014604,1.449783443975625,1.296170870812047,1.1345406859483504,0.9432273332736846,0.7166540834761718,0.4970244214332312,3.702141575662824,3.528325732884554,3.1477725100950615,2.937365506980773,2.70423698723352,2.5165958601403164,2.2142949308225712,1.9342518545135552,1.7252237047888035,1.5551027145714993,1.1852198723980572,0.9828744580425876,0.7603185604308981,0.5716861095370114,0.28062282311068193,0.009607401821800475,3.6059412213052577,3.4169375380394547,2.989553317993748,2.7418483528444684,2.457539916041697,2.27685234062828,1.919976374129211,1.595831894472673,1.8569520061560185,1.7078132541695052,1.3937846935539753,1.2310149787404265,1.0582626705327123,0.8670427100829993,0.6287196714872618,0.3997763750750032,3.7584615682603597,3.593667260306847,3.2387060813320208,3.0473623285835254,2.8389820851496497,2.6492607936964796,2.3732395995337843,2.1142728314152777,1.672852837640118,1.4943662422161803,1.0999330528266542,0.8787962862536708,0.6313372621875626,0.4452830809564157,0.12772565029265084,0.1646076887798098,3.5858577906690705,3.445098458349822,3.0592538436820877,2.8753337249866613,2.6578395831246975,2.3576088118473786,2.019692106173468,1.6803263949180693,1.8636686900839659,1.6681299474538902,1.3044482230850032,1.080091840921458,0.8578395831246949,0.7529098496387789,0.49540190717649424,0.27683545699830586,0,0,0,0,0,4,4,2,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696923425058676,0.0,0.0,0.0,0.696923425058676,0.0,0.0,0.0,0.7814744144215574,0.5525858577612696,0.34552203082849775,0.7814744144215574,0.5525858577612696,0.34552203082849775,7.983127663125442,4.663902460147015,3.8381705158866537,2.1753212645389093,1.0786852784228906,0.5812242912240135,0.4857022603955159,0.16666666666666666,0.7983127663125442,0.5182113844607794,0.38381705158866536,0.27191515806736366,0.17978087973714843,0.11624485824480271,0.09714045207910318,0.08333333333333333,7.983127663125442,4.663902460147015,3.8381705158866537,2.1753212645389093,1.0786852784228906,0.5812242912240135,0.4857022603955159,0.16666666666666666,0.7983127663125442,0.5182113844607794,0.38381705158866536,0.27191515806736366,0.17978087973714843,0.11624485824480271,0.09714045207910318,0.08333333333333333,15.960105841644623,30.766205389657678,28.980392156862756,29.35999999999999,18.784099401197608,246.56811137724554,0.49875330755139446,0.9614439184268024,0.9056372549019611,0.9174999999999996,0.5870031062874252,7.705253480538923,3.858800000000003,48.14400000000003,30.21424481732026,47.27477830035727,60.42848963464051,6.042848963464052,30.214244817320537,0.023379475851008247,0.0023379475851008245,-3.7558967418803535,45.141032345122184,4.514103234512218,3.809791640979943,98,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,4.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9999999999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.229754346182919,0.0,5.600980725623582,0.0,0.0,0.0,1.8359315948601658,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2778184051398336,0.0,1.3453325774754346,0.0,0.0,0.0,0.892644557823129,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3475462962962963,0.0,1.4252777777777779,0.0,0.0,0.0,0.9432870370370368,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.666666666666664,1.6666666666666665,0.2,2.3475462962962963,0.2,0.892644557823129,7.467197515117158,0.4406887755102042,0.34754629629629635,2.4595086923658354,0.4406887755102042,0.34754629629629635,2.4595086923658354,5.0,0.5,0.0,0.0,0.425,0.7,0.425,0.425,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.4,0.2,0.0,4.5,0.45,4.5,0.45,0.0,0.0,-4.5,-0.45,0.0,0.0,11.92589,1.19259,11.92589,0.0,0.0,4.66389,0.46639,4.66389,0.0,0.0,0.25011,0.02501,0.25011,0.02501,0.0,9.0,0,0,0,0,0,0,1.0,0.8960382325345575,1.3716407621868583,2.5695488277869583,3.2098683589017414,3.198476859632983,2.864415736636332,28.67322344110584,43.892504389979464,82.22556248918266,102.71578748485572,102.35125950825545,91.66130357236263,0.1792076465069115,0.27432815243737163,0.5139097655573917,0.6419736717803483,0.6396953719265965,0.5728831473272664,4.103961767465442,3.6283592378131417,2.4304511722130417,1.7901316410982586,1.801523140367017,2.135584263363668,0.1808644987797396,0.27686443496619256,0.5186610838169029,0.6479089962931003,0.6456096325709008,0.5781797000314363,6.667318507215866,12.374548863043472,16.75757729056066,17.662215327025933,15.723792513830123,15.387117351856066,39.639944988972836,29.176096768110874,25.443044526787848,23.530356636771323,26.57554798865899,27.82685394538118,10.0,5.76,7.0,10,0,8,2.56,1.5176000000000003,1.2804902574870265,5.225316977035589,3.2068495073033194,0.0,3.1473451902649443,4.1800446793471036,0.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.121,0.10400000000000001,0.049000000000000044,0.010000000000000009,4.308,10.0,8.0,6.0,5.0,5.0,2.0,0.0,0.0,0.0,55.0,2.302585092994046,2.3978952727983707,2.1972245773362196,1.9459101490553132,1.791759469228055,1.791759469228055,1.0986122886681098,0.0,0.0,0.0,4.02535169073515,1.0,0.42857142857142855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.5555555555555556,9.0,1.0,1,4.0,7.0,0.75,2.5,0.8888888888888893,0.375,0.16000000000000003,0.22222222222222227,0.08163265306122448,0.0,0.0,0.0,0.0,0.2777777777777778,0.08888888888888893,0.046875,0.026666666666666672,0.04444444444444445,0.016326530612244896,0.0,0.0,0.0,0.0,0.5009793083900227,30.21424481732026,47.27477830035727,60.42848963464051,6.042848963464052,30.214244817320537,0.023379475851008247,0.0023379475851008245,-3.7558967418803535,45.141032345122184,4.514103234512218,3.809791640979943,0.0,181.5163049594668,4.321928094887363,3.6635616461296463,4.31748811353631,5.043425116919247,5.720311776607412,6.450470422144176,7.133295954896068,7.864419904994565,8.54927308487965,9.280332743796217,77.0225787639033,2.9444389791664403,0.0,4.07753744390572,0.0,5.351858133476067,0.0,6.678342114654332,0.0,8.029107054619736,8.33302993974291,142.172150704,4.4428797095,18.49017775048145,1.8490177750481451,0.0,0.0,0.0,146.0,8.0,5.908000000000001,38.0,1.2320322580645158,2.12574091026749,2.8888203374044683,3.520850517163512,4.43229596028553,5.6515103299313765,6.694490341832303,7.388957150799653,8.755551182007684,0.0,73.35104720370964,75.11589519589917,69.6658743973826,65.47352388021459,82.5895984921537,119.85121103424443,103.0446896451911,32.56272341659314,8.896200356195457,0.0,277.88990195892205,331.15816574800914,356.0176834607522,358.33075061694433,447.30169179697543,607.6813914625915,683.8047467675243,418.65166365739134,272.1553152934562,0.0,8.956135160129032,15.111160086002293,20.316758845696153,24.509535578405828,30.828542397786173,39.37639671404255,46.864654846247234,50.54417920912049,58.823855416476086,0.0,2.11269994434387,2.7358255062468917,3.1397085680718515,3.3041887914547265,4.123410873168866,5.472753172816864,6.491855986727728,4.796368697185445,3.892831044586531,0.0,177.01061103947416,330.06786780767777,464.37767633431287,585.3077490879143,738.9356186656412,937.5803393237778,1090.221663441339,1294.5221856132387,1619.0559667549992,0.0,2.4445322580645152,3.4497962457147597,4.500409676250087,5.023742399824008,6.225827965078484,8.267946958859826,10.933941296526402,9.647997439426117,8.755551182007684,0.0,0.4382847580645162,0.5768537161841516,0.6698294884831654,0.711194478731515,0.887706404732099,1.1738110482931272,1.4005929597969824,1.0674731559568862,0.8965684410375867,0.0,452.37376505335595,248.06418345219026,11.048091628332504,139.53766652523723,-76.51703078608982,-8.324749362036869,312.8360985281187,324.5812142382801,19.372840990369372,0.7642592133199752,0.4190900364782913,0.018665109404743016,0.23574078668002477,-0.12927108128664344,-0.014064180750547845,267.7652028813301,146.83202595056073,6.539491731937764,82.59393995208951,-45.29130523273771,-4.927514312416224,0.05402725040094786,0.11841956843168132,0.9155181759688801,6.748133949242056,591.9114315785932,0.0,1.0,0.0,558.7341223153494,23.637557452396585,8.236355148340857,771.8489161146773,27.78216903185706,9.1729867504517,972.5942310670819,31.186443065330195,9.907799964836336,2.2312228821831543,2.2312228821831543,1241.1515603146138,1214.894583157795,138.63190099392068,1.02161255595409,8.952856820228131,8.763456134177018,5.121734523370002,5.6454556919422,10.065582814166165,0.7829531154646816,6.135812175590678,8.536747423903762,3.6062145794979332,35.637765253407174,11.618742405062934,8.64249397819933,8.689895475468756,14.575835397027866,17.16437638436263,5.710708285055571,4.928378603258435,11.913547496791157,6.812592791771789,9.478248316726827,3.5228295679480377,2.845095000289306,0.8597365021115423,1.1713237743656726,2.0081398576126377,1.273792687859013E-8,2.405680934114316E-38,8.763008205713223E-90,6.15664787726622E-163,8.342790099354308E-258,0.0,0.0,0.0,0.0,0.0,0.0,0.5149361979124288,8.536277563009262,0.22757849626431909,10.730959467984704,1.5697410035705321,0.2612536372820976,0.8093867773338925,0.6986344443335639,4.474283484634423,0.9830849857759164,0.045924721018125406,1.5895779728411625,0.3697929989784562,2.3778136221141866,0.13264122228777203,0.13653441322554052,0.007870270729874942,0.0570725991755976,0.01414349321329402,8.97142605261346E-11,1.6943407520154841E-40,6.171858330270352E-92,4.336177439965565E-165,5.875895282036436E-260,0.0,0.0,0.0,0.0,0.0,0.0,1.6622768177801284,8.536309826243633,0.7841143206404695,13.566255445130174,2.256472401879605,1.1490090211930315,2.0640664492681613,2.5205348271502093,6.314456676596495,1.7236360608264867,0.38854638300593464,2.993977901079776,1.3268012922617896,3.4072702435584254,0.5355903817421295,0.5048029902017973,0.06479450389287275,0.21140393346578337,0.1473861039731095,9.34891764740767E-10,1.765633697958769E-39,6.431552232920199E-91,4.518631213482034E-164,6.123135917789497E-259,0.0,0.0,0.0,0.0,0.0,0.0,5.7917061759405915,8.536696143725338,3.352284928340662,33.31746790026979,10.520840491688299,7.83823812501842,8.08225822652911,13.368719533565255,16.122121428066613,5.341880900272838,4.398117829410185,11.03284376213368,6.291483695518258,8.895020390271963,3.2130246166085605,2.613971238828309,0.7662093498639757,1.0772458356460493,1.789216459501662,1.1349263521016357E-8,2.143418401517005E-38,7.807682546100146E-90,5.485462417172714E-163,7.433275778748874E-258,0.0,0.0,0.0,0.0,0.0,0.0,2.4498901844374594,8.536350871576731,1.2056835623163993,16.180287006360626,3.13303553017211,2.0028012269987188,3.0304449934164945,4.071319631399194,7.8004115552426345,2.2986472743303135,0.8179289574319054,4.166772559271253,2.090086122537919,4.238635005778619,0.8980304106981869,0.8124212797704806,0.13859899878457332,0.33905575092710655,0.32014231253763564,2.0307098394507202E-9,3.835192327643233E-39,1.3970190876538346E-90,9.815070805133794E-164,1.3300269427442345E-258,0.0,0.0,0.0,0.0,0.0,0.0,7.4098818085173574,8.536962856131103,4.599871179339575,45.132035815280254,16.231859118763747,11.950884356703478,11.081855808384033,19.451228685374012,21.324692519831327,7.166469259323808,7.154387986603591,15.456751890207114,8.885867103398628,11.806339827690676,4.786006465089474,3.7749941604901576,1.253005371787536,1.5490189842437654,2.9286832541856764,1.857706922202059E-8,3.508459552727724E-38,1.2780023906738514E-89,8.978892317541687E-163,1.2167175291372618E-257,0.0,0.0,0.0,0.0,0.0,0.0,3.8822957038309855,7.341367799426041,1.7529224361437257,21.43268754263346,5.460650095942098,4.03594845401623,4.606642978621388,6.721273249613772,10.594233499224194,3.6760416952589683,1.8018187224155502,6.709666866318598,3.581726145672594,6.2516276446573364,1.5127678605825394,1.5624637297090163,0.3114813477532073,0.6502956507652486,0.7229303487405497,4.585653676292448E-9,8.660451362811537E-39,3.154682954056761E-90,2.2163932358158398E-163,3.003404435767551E-258,0.0,0.0,0.0,0.0,0.0,0.0,9.18989369010521,1.0817131452248017,0.8612482400153373,0.8254750131848037,0.09716403724866114,0.5715411578222761,0.471868286035611,0.5014673631386376,11.132855075345349,18.787232116862747,38.481608507224145,0.7382125197772056,1.5448768069965246,8.149878545516241,0.580586471730467,0.3951221654323423,0.8930799062426616,0.0636218207232141,0.4492502268357323,0.13652599766930973,0.10567536067089867,9.12558718267905,8.181309472618935,19.17649985236213,0.8396198593639924,0.6914515851759406,8.575291357153606,0.7857370179814374,0.5860594655299288,0.862090643464182,0.07899166374798094,0.4974677754714484,0.2496622829275688,0.23253681807580695,9.947087840664972,12.224043145634008,26.119955042056926,0.793135965196273,0.9796668764748242,9.165357634952496,1.0699057462993924,0.8502762796658963,0.8267849753192517,0.09651363659555151,0.5684839323336225,0.46167818659654236,0.4888166516956716,11.085539660917785,18.508870469736124,37.93227782851186,0.7401774629788774,1.5189787706258364,8.7595638875169,0.8745259473285917,0.6686467257949329,0.8502172054928677,0.0848828796292381,0.519128885805753,0.3090340643218449,0.30262321385945035,10.302736560640424,14.102268530999723,29.52715053836327,0.7753258082393015,1.1307861639870482,9.266331813442395,1.118492902783766,0.8954224176983613,0.8214653192813991,0.09915499984215594,0.5811188506607127,0.504313035285585,0.5418890423815692,11.280247133924522,19.66313122295167,40.223828531282095,0.7321979789220987,1.627320928327867,9.193864110914172,1.0726011007854477,0.8532288393308389,0.826809089235884,0.09645958745475107,0.5720453146455013,0.4638683875375237,0.4919981964450759,11.119694051030459,18.620992962447264,38.15467417519059,0.7402136338538262,1.5279118986281008 +UMLCN0272,L,"2,2,4,4,6,8,8-heptamethylnonane ",CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C,Alkanes,,C16H34,NREL (2014),CFR,PubChem,,15,0,5.2585999999999995,27.652873959999994,74.5238,50.83096199999996,0,0,50,16,34,0,16,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2342.7721119999965,2575.602807000001,4001.3185200000025,3671.332240000013,4068.726334999994,3008.600627000013,2879.3889759999897,1891.7246939999975,1635.1841609999894,7833.117738640897,10253.798482837581,15915.855862473634,19844.3576725039,19922.69501238344,18496.55707354862,15557.463260243068,12458.730885497933,9513.709308832147,349.07603199999994,355.1072280000003,681.4668480000016,964.8522879999987,1490.0538200000062,1022.804875999999,1417.4465920000052,703.5903600000003,982.0423080000023,59.73923876486606,79.69400653999998,127.04084816546974,172.4516530539432,183.40156089340795,167.40745934243313,152.2871326012929,114.27263818364077,97.16360744733274,8315.909866264466,7108.081963588603,15021.741110829274,20472.858605454512,37015.62181518241,22300.55353609858,36266.94768748551,15287.319012641816,25532.72035047925,83.21527777777777,98.5,157.72916666666666,245.95833333333334,287.39583333333337,259.5,258.0625,183.0,175.5,46.85544223999993,52.56332259183676,41.680401250000024,27.195053629629726,18.83669599537034,20.89305990972231,13.910091671497534,19.108330242424216,11.355445562499927,156.66235477281793,209.26119352729756,165.79016523410036,146.9952420185474,92.23469913140481,128.4483130107543,75.15682734416941,125.84576652018114,66.0674257557788,6.9815206399999985,7.247086285714292,7.098613000000017,7.147053985185176,6.898397314814844,7.102811638888882,6.847568077294711,7.106973333333336,6.819738250000016,1.194784775297321,1.6264082967346933,1.3233421683903097,1.2774196522514312,0.8490813004324442,1.162551800989119,0.7356866309241203,1.154269072562028,0.6747472739398107,166.31819732528933,145.06289721609394,156.4764699044716,151.65080448484824,171.36861951473335,154.8649551117957,175.20264583326335,154.41736376405873,177.31055798943922,1.6643055555555555,2.010204081632653,1.6430121527777777,1.8219135802469137,1.330536265432099,1.8020833333333333,1.2466787439613527,1.8484848484848484,1.21875,0.06468854795802884,-0.0163462081895496,0.042109905833673925,-0.108230764832993,0.10538903168997392,-0.12154518741286423,0.10847311395629512,-0.09512138475108563,0.08440280894520277,1317.198177919997,-55.98092256160217,609.010451673598,-1968.0490423040021,1743.1568239855962,-2229.3579161295984,1946.3540134911962,-1765.432969641601,1480.1045996303997,2449.3862582187403,-104.09891597429746,1132.4809405646638,-3659.671232867999,3241.4745496632972,-4145.586242035219,3619.328400379686,-3282.8979937361173,2752.317705742558,0.25803007999999966,-0.01096627840000007,0.11930096639999972,-0.3855272959999987,0.34147245440000046,-0.4367159103999982,0.38127738880000084,-0.3458361983999988,0.2899423296,10.94989621915714,-0.46537058931414543,5.062716722504435,-16.360433174505314,14.490899422969838,-18.532699350923416,16.180081942660383,-14.676081491382034,12.3041407368499,59.48001005032516,-2.5279004271397447,27.500757587973002,-88.8701326634286,78.71479565336547,-100.66991701017655,87.890461909659,-79.72070758803963,66.83628776390383,7.365138888888881,-4.937419444444439,7.761433333333327,-13.584625000000004,14.630933333333399,-15.642016666666652,14.13707500000005,-12.299225000000002,11.515900000000018,0.0012937709591605768,-3.335960855010122E-4,4.3864485243410336E-4,-8.017093691332815E-4,4.8791218374987926E-4,-8.440638014782238E-4,5.24024705102875E-4,-9.608220681927842E-4,5.861306176750192E-4,26.343963558399942,-1.1424678073796362,6.34385887159998,-14.57814105410372,8.070170481414797,-15.481652195344433,9.402676393677275,-17.83265625900607,10.278504164099997,48.98772516437481,-2.124467672944846,11.796676464215247,-27.108675799022215,15.00682661881156,-28.788793347466797,17.4846782627038,-33.16058579531432,19.113317400989985,0.005160601599999993,-2.2380160000000143E-4,0.0012427183999999972,-0.0028557577481481385,0.0015808909925925946,-0.003032749377777765,0.0018419197526570088,-0.0034932949333333213,0.0020134884,0.21899792438314278,-0.009497358965594805,0.052736632526087866,-0.12118839388522455,0.06708749732856406,-0.12869930104807928,0.07816464706599219,-0.1482432473876973,0.08544542178367986,1.1896002010065032,-0.05158980463550499,0.2864662248747188,-0.65829727898836,0.3644203502470624,-0.6990966459040038,0.4245916034283043,-0.8052596726064609,0.4641408872493321,0.14730277777777762,-0.10076366213151916,0.08084826388888883,-0.10062685185185188,0.0677358024691361,-0.10862511574074064,0.06829504830917899,-0.12423459595959598,0.0799715277777779,-0.2578478695467517,0.33904366868669283,-0.619668700597087,0.37712408080827997,-0.6524058957281499,0.40503668859816744,-0.7426523693314184,0.4530404810255688,-0.043367346938777286,0.24080882352941152,-0.5533769063180846,0.3063385076252723,-0.5876736111111119,0.35691957942597335,-0.6769162210338701,0.39016544117647134,-0.043367346938775926,0.24080882352941158,-0.5533769063180826,0.306338507625272,-0.5876736111111112,0.35691957942597274,-0.6769162210338681,0.39016544117647056,-0.04336734693877584,0.24080882352941155,-0.5533769063180817,0.30633850762527315,-0.5876736111111095,0.3569195794259745,-0.6769162210338666,0.3901654411764711,-0.043367346938772436,0.24080882352941257,-0.5533769063180808,0.3063385076252717,-0.5876736111111098,0.35691957942597224,-0.6769162210338658,0.39016544117646884,-0.043367346938791386,0.2408088235294042,-0.5533769063180927,0.30633850762527753,-0.5876736111111182,0.3569195794259816,-0.6769162210338756,0.39016544117648044,-0.68405812606964,0.5488577005034982,-0.6831293568927703,0.45984063227458605,-0.7374274767894299,0.4636372058930861,-0.8433961520197364,0.5429057685417428,1.78300933964373,0.6879480528091817,1.9633367980630683,0.3896859734550939,1.9987758246369194,0.2675368579433006,2.131266378127684,0.17664763097089123,1.5625000000000047,0.9851792279411794,1.8681917211329035,0.5212588507625289,1.8139808006536005,0.36986714975845525,1.910650623885924,0.2814797794117655,1.5625000000000004,0.9851792279411767,1.8681917211328978,0.5212588507625273,1.813980800653595,0.3698671497584542,1.9106506238859182,0.2814797794117649,1.5624999999999996,0.9851792279411762,1.868191721132898,0.5212588507625273,1.813980800653595,0.36986714975845403,1.9106506238859216,0.28147977941176466,1.5624999999999971,0.985179227941174,1.8681917211328958,0.5212588507625258,1.8139808006535931,0.3698671497584534,1.9106506238859142,0.2814797794117642,1.562499999999997,0.9851792279411742,1.8681917211328956,0.521258850762526,1.8139808006535931,0.36986714975845336,1.9106506238859127,0.2814797794117643,2.298742197665431,0.2526624582775465,2.0574905554822225,0.17068752736972034,2.23257360752293,0.11048097554496446,2.4822609926986807,0.025988138565690502,120.61829492713319,60.30914746356662,90.52427398395206,120.61829492713323,7.538643432945827,60.30914746356662,4.263256414560601E-14,0.05087499398559586,0.0031796871240997414,-4.7654140055018095,237.67843920167215,14.85490245010451,8.753469862923689,120.61829492713319,60.30914746356662,90.52427398395206,120.61829492713323,7.538643432945827,60.30914746356662,4.263256414560601E-14,0.05087499398559586,0.0031796871240997414,-4.7654140055018095,237.67843920167215,14.85490245010451,8.753469862923689,120.61829492713319,60.30914746356662,90.52427398395206,120.61829492713323,7.538643432945827,60.30914746356662,4.263256414560601E-14,0.05087499398559586,0.0031796871240997414,-4.7654140055018095,237.67843920167215,14.85490245010451,8.753469862923689,120.61829492713319,60.30914746356662,90.52427398395206,120.61829492713323,7.538643432945827,60.30914746356662,4.263256414560601E-14,0.05087499398559586,0.0031796871240997414,-4.7654140055018095,237.67843920167215,14.85490245010451,8.753469862923689,120.61829492713319,60.30914746356662,90.52427398395206,120.61829492713323,7.538643432945827,60.30914746356662,4.263256414560601E-14,0.05087499398559586,0.0031796871240997414,-4.7654140055018095,237.67843920167215,14.85490245010451,8.753469862923689,120.61829492713319,60.30914746356662,90.52427398395206,120.61829492713323,7.538643432945827,60.30914746356662,4.263256414560601E-14,0.05087499398559586,0.0031796871240997414,-4.7654140055018095,237.67843920167215,14.85490245010451,8.753469862923689,174.23746821658432,86.80063514995884,133.01717773598952,173.680795039501,10.855049689968812,86.80063514995884,-0.6361979166666458,0.041044483471057935,0.002565280216941121,-5.1089581403452256,133.4831418451017,8.342696365318856,7.830360306484291,0,11.89,12.110287805853513,-0.15922273825261962,0.062236682141968785,6.629105468749993,10.864351129157402,15.0,49.0,49.0,49.0,15.0,0.0,0.0,0.0,0.0,0.0,37.16903799999999,3.6998457812116685,3.546186757074102,3.306708256288081,3.0219551033344314,2.33355279310305,2.333552793103048,2.333552793103048,2.3335527931030478,2.0147473797362614,1.910794017971136,1.7530651640991686,1.5849021425197694,1.2496297225843565,1.2496297225843556,1.2496297225843553,1.2496297225843551,3.7199543894109413,3.569460861314079,3.335443958018931,3.0595991102278557,2.405454587841291,2.4054545878412905,2.405454587841289,2.405454587841289,1.9662954202338812,1.8550414837053117,1.6860519659543844,1.5037433899049009,1.1345406859483513,1.1345406859483511,1.1345406859483507,1.1345406859483504,3.810175199782158,3.674161578003832,3.4648673518601245,3.2271871816974076,2.7042369872335223,2.7042369872335215,2.70423698723352,2.70423698723352,1.8285579420648697,1.6955130053522356,1.4912037789064385,1.2608107758946137,0.7603185604309008,0.7603185604308991,0.760318560430898,0.7603185604308975,3.7348616659481544,3.586735334704006,3.356794630397547,3.0874826198523877,2.457539916041696,2.4575399160416955,2.4575399160416933,2.4575399160416924,1.9358729172234124,1.8199167194156178,1.6435148352395823,1.451600490315112,1.058262670532712,1.0582626705327118,1.0582626705327118,1.0582626705327114,3.8552475031251756,3.726502166856475,3.5293470588085682,3.309185286583399,2.8389820851496506,2.83898208514965,2.8389820851496492,2.838982085149649,1.7870261248845198,1.6472739870979634,1.4316548062344312,1.184536607579438,0.6313372621875659,0.6313372621875626,0.6313372621875619,0.6313372621875617,3.6768035881334518,3.569149534592347,3.376175040532008,3.1388278808013195,2.626256208517562,2.6262562085175616,2.6262562085175603,2.6262562085175594,1.9849044376941398,1.826960799907235,1.606119952695946,1.3779796252367524,0.8860749396353845,0.8860749396353845,0.8860749396353842,0.8860749396353842,0,0,0,0,0,9,3,1,3,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.617102259341004,0.9571067811865475,0.0,0.0,4.617102259341004,0.9571067811865475,0.0,0.0,2.3509536313039,6.29313105548891,5.259781134169407,2.3509536313039,6.29313105548891,5.259781134169407,13.198670612749268,6.808060412490447,8.975730607215777,2.870765194998925,3.5687059416372904,0.751581125454295,0.981220788840218,0.15309310892394865,0.8249169132968293,0.4538706941660298,0.3739887753006574,0.1794228246874328,0.1551611278972735,0.06832555685948137,0.061326299302513626,0.025515518153991442,13.198670612749268,6.808060412490447,8.975730607215777,2.870765194998925,3.5687059416372904,0.751581125454295,0.981220788840218,0.15309310892394865,0.8249169132968293,0.4538706941660298,0.3739887753006574,0.1794228246874328,0.1551611278972735,0.06832555685948137,0.061326299302513626,0.025515518153991442,25.21107266435981,48.0932265112892,45.33333333333329,45.92000000000002,29.575426347305438,384.7376419161677,0.5042214532871963,0.961864530225784,0.9066666666666658,0.9184000000000004,0.5915085269461088,7.694752838323354,5.911200000000006,75.70600000000007,60.30914746356662,90.52427398395206,120.61829492713323,7.538643432945827,60.30914746356662,0.05087499398559586,0.0031796871240997414,-4.7654140055018095,237.67843920167215,14.85490245010451,8.753469862923689,189,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,0.0,3.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.36188421201814,0.0,3.996622732426304,0.0,0.0,0.0,0.8308796296296294,0.0,0.0,0.0,0.0,0.0,1.3939467592592591,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.347478387188209,0.0,1.3139710884353741,0.0,0.0,0.0,0.8308796296296294,0.0,0.0,0.0,0.0,0.0,0.4493576388888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.427986111111111,0.0,1.3487500000000001,0.0,0.0,0.0,0.8308796296296294,0.0,0.0,0.0,0.0,0.0,0.4751157407407407,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,27.583333333333332,1.7239583333333333,0.2,2.427986111111111,-0.0,0.4493576388888889,11.849346935232425,0.8006423611111111,0.42798611111111107,6.723768424036282,0.8006423611111111,0.42798611111111107,6.723768424036282,8.0,0.5,0.0,0.0,0.428,0.7,0.428,0.428,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.5625,0.0625,0.1875,7.5,0.46875,7.5,0.46875,0.0,0.0,-7.5,-0.46875,0.0,0.0,27.57375,1.72336,27.57375,0.0,0.0,6.80805,0.4255,6.80805,0.0,0.0,1.10595,0.06912,1.10595,0.06912,0.0,15.0,0,0,0,0,0,0,1.0,0.904381457724494,1.423599457378339,2.206021438519913,2.7977809392987614,3.2173899391256837,3.124220217955769,45.2190728862247,71.17997286891695,110.30107192599566,139.88904696493807,160.8694969562842,156.21101089778847,0.1602417615393904,0.2522387902012015,0.390871305777897,0.495721514727404,0.5700694402799987,0.5535612731621485,4.739474732050231,4.220256732396385,3.4378347512548113,2.846075250475963,2.4264662506490406,2.519635971818955,0.16107358756434734,0.25354817914062244,0.39290034565758547,0.49829483926602597,0.5730287100228052,0.5564348478720182,6.693715826846142,12.924331822692285,15.919907159103769,18.82250496903502,18.697937645470567,17.998394759432323,63.36307636776333,46.354898479603506,42.74841249603166,35.44104941161916,34.87104171189422,37.18571170398646,16.0,5.104166666666667,9.953125,16,0,9,3.2199999999999998,2.363,7.825206482448319,8.393894204351614,2.858809023692542,9.215935551630805,1.1905507889761497,2.080083823051904,4.363906365767585,0.0,1.1905507889761497,0.8254818122236568,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.256,0.225,-0.1489999999999999,-0.038000000000000034,6.294,24.0,16.0,23.0,11.0,16.0,6.0,9.0,0.0,0.0,136.0,2.772588722239781,3.2188758248682006,2.833213344056216,3.1780538303479458,2.4849066497880004,2.833213344056216,1.9459101490553132,2.302585092994046,0.0,0.0,4.919980925828125,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.4,15.0,1.0,1,4.0,8.0,1.0,9.0,1.5555555555555565,2.375,0.40000000000000024,0.7777777777777775,0.12244897959183672,0.28125,0.0,0.0,0.0,0.6,0.06481481481481485,0.1484375,0.017391304347826098,0.07070707070707068,0.007653061224489795,0.046875,0.0,0.0,0.0,0.9558787510942015,60.30914746356662,90.52427398395206,120.61829492713323,7.538643432945827,60.30914746356662,0.05087499398559586,0.0031796871240997414,-4.7654140055018095,237.67843920167215,14.85490245010451,8.753469862923689,0.0,285.2922127146674,5.0,4.3694478524670215,5.0689042022202315,6.018593214496234,6.729824070489475,7.682021510826875,8.398184404834035,9.350884616968491,10.069637382330217,11.022572178834904,99.71006943346748,3.4339872044851463,0.0,4.844187086458591,0.0,6.3473892096560105,0.0,7.902117546276448,0.0,9.488047863280759,9.719865150009126,226.26605108799998,4.52532102176,29.443813578416187,1.8402383486510117,0.0,0.0,0.0,468.0,16.0,9.311000000000003,78.0,1.2385102040816327,2.1364469881228976,2.974046286450383,3.4625974789948453,4.173021646991582,4.691699709670317,6.376952826556143,6.79044149639715,8.68407383869476,8.868098078658178,76.60959731308157,101.70156140792051,85.49095361724122,73.53272852328136,102.30895938242806,84.48545988639397,135.31934751697193,94.32476331907645,105.13884616357528,9.010555206193741,286.0634011664615,389.3372050888538,448.6377444315375,342.78516564045276,575.402219266171,414.5714897251972,836.7001828692834,505.1200635078992,996.381248563578,275.6536942654344,9.012418738040825,15.241387520784746,21.274786008385796,23.93815631673468,29.714103614144165,32.29559490596026,45.38108082359316,46.46658877479196,61.810041844656645,59.579997689934146,2.160227842428978,3.03863304474308,3.8639007027236807,3.0819612625358896,5.080140136392438,3.8512677584590933,7.556357310985959,4.948938580853726,9.67010101069841,3.9428708472380474,177.36899011076753,328.9284520207718,449.7430900465466,589.6755496243741,641.1654304950644,809.4355563628426,980.633782741877,1192.2514993085797,1329.7275107078854,1639.867874626224,2.523241496598639,3.693329717111634,5.446279662046326,4.690153658098542,7.560502825713024,6.1730750742578815,11.81818074487223,8.639509585778391,17.36814767738952,8.868098078658178,0.4475998469387752,0.6346737131112564,0.8188053061119454,0.662433999166074,1.0812015142217972,0.8328571952635084,1.61341553258921,1.0805598681671602,2.084177721286743,0.9080932432545976,431.5347955839315,357.17224348362873,10.455982418263265,107.14555552208319,-88.68211517761367,-6.413514683504686,324.38924006184834,445.8543586612424,16.86949710176795,0.8010962246866947,0.6630504393751976,0.01941036534337129,0.19890377531330536,-0.1646284572948172,-0.011905974796252551,232.45931519961448,192.4016695250841,5.632432280228372,57.71720546808476,-47.77131294070096,-3.4548343415338847,0.03606048979935657,0.0753685090137188,0.02871834825406184,0.4124214069513972,538.6803511060147,0.0,1.0,0.0,931.2235371922491,30.515955452717666,9.765278826845284,1260.5827639730285,35.504686507178576,10.802487892701937,2110.9494819269016,45.94507026795042,12.828009711638432,2.2295764212411053,2.2295764212411053,2422.3957922402583,2382.840726536678,354.7638789922587,1.0165999620801645,6.828191751430019,6.716694871263019,5.9386826545057305,5.6454556919422,11.281711498940464,0.9983703910816152,9.482652541797119,14.401005121253215,5.942225972155819,73.30548205586635,12.585510681877668,51.65590956700051,23.66446293833613,43.66693568131842,43.14274711734834,21.53695334931121,13.987963674744966,15.610987704395079,13.328031398820658,34.21196326208883,8.630026578926635,11.266915411857832,12.407653672110433,3.807589013541045,4.950321508132808,2.9659119522361923,0.3464306163341648,0.017048723176411977,7.836303603535253E-23,6.948258438477839E-65,1.1882739552933633E-128,3.919521923166262E-214,2.49E-321,0.0,0.0,0.0,0.7958107252120316,14.241655998617418,0.3240504551610122,29.72090213284803,5.050072926425801,6.498245086005955,1.3026577049751156,2.2144928037578238,9.031220457343496,2.990255268774672,0.38329732550483353,4.398349371370538,0.927541242537128,6.5952480476929605,0.5342919088535072,0.3618445391852311,4.035609695932437,0.2827250324749838,0.9341602371756399,0.17697464318223746,0.002439947329681315,1.2007555132518267E-4,5.519172701729797E-25,4.89371523085324E-67,8.369110626690027E-131,2.7605513385687943E-216,2.0E-323,0.0,0.0,0.0,2.5689757390657193,14.27407692302989,1.1611492398737884,35.683846217526344,5.607236729560467,13.243038416390394,4.059312335518435,7.702116288972697,13.246307066939947,5.519832969663556,1.755650910607693,6.124136415776604,3.1200634310145428,10.12139031022135,1.3292805628237099,1.546076981997976,5.216333817526934,0.9369323029716552,1.4326405535082618,0.6186949490150065,0.025426068214858308,0.0012512798235450972,5.75140348565447E-24,5.099628577976618E-66,8.721258534832019E-130,2.8767073344156376E-215,1.8E-322,0.0,0.0,0.0,8.950848683890412,14.391212514206686,5.488727012460368,69.5994555562641,11.77715846263837,48.01657774469511,21.65592594573517,40.07724891915098,40.082382144543466,19.95713626733488,12.658177513655112,14.725404433279808,12.449067726338962,31.774479478220094,7.831048135336917,10.230786986613415,11.70826753035908,3.5687010019209855,4.590788344687376,2.750048261476432,0.30866344780291527,0.015190105412771425,6.98200542952523E-23,6.190773175417914E-65,1.0587307010257747E-128,3.492223468261761E-214,2.223E-321,0.0,0.0,0.0,3.786199297918298,14.296364234603631,1.827744866572912,40.64826632803797,6.280985390771364,18.60736756284875,6.488462322264998,12.352152002722734,16.955711536914432,7.62930018078775,3.1147979464067195,7.47598706768348,4.7257229406961505,13.168781396412788,2.129631795700334,2.668325148116622,6.18369402263064,1.4054118140222287,1.8702334188455736,0.9597976688886629,0.05522879765094165,0.0027179469810430634,1.249281691149376E-23,1.1077074717534544E-65,1.8943738930022338E-129,6.248592735050703E-215,3.95E-322,0.0,0.0,0.0,11.451684706960183,14.437305165938431,7.745723697175971,88.2055851113083,15.97251082816219,66.12400050649971,31.82734746473849,58.152394649566574,55.57762695343057,27.890889466161333,19.475776623669564,19.116027893296724,16.71847867647167,44.08481329212777,11.932730453111716,15.521668244816107,15.209326268441691,4.718310254074013,6.410570927364204,3.8163962972251846,0.5052364691716248,0.024863960486977373,1.142851233761804E-22,1.0133381924263194E-64,1.7329858879400545E-128,5.716254362102766E-214,3.636E-321,0.0,0.0,0.0,6.037160425312232,11.020476622547738,2.351432465458386,49.776467589343675,6.961464890874073,31.214642695160922,9.555617002939375,19.59404316400403,24.249429514882237,11.80437732655591,5.888008881608547,9.995074070166611,7.5070582254880565,18.958268544131872,3.6941314175919278,4.465459262913493,9.462582595221454,2.240879418987065,3.0524291356119946,1.681058582574854,0.11656357791025133,0.005736385494612602,2.6366818123303328E-23,2.337881171913793E-65,3.998186497744138E-129,1.3188019110413478E-214,8.4E-322,0.0,0.0,0.0,10.781019999202861,1.4775695657252976,1.240834192018819,0.7986281631951,0.10945426948057106,0.5599235988519368,0.6068138689572046,0.48693505744436033,13.499423756946978,31.140584116385877,64.40613303529575,0.69794224479265,1.6536725252535016,9.834434902581833,0.8728623778802527,0.6989894063206604,0.8621942594146501,0.07652467466837377,0.46588180253514055,0.21439358165924563,0.15653939084612414,11.406286686782746,16.068395603545145,33.474883008726955,0.7932913891219753,0.8368147750405103,10.217627444267354,1.117385347551702,0.9186275673113322,0.8338442409609347,0.09118803186671949,0.5029093633005022,0.34928041071845,0.26881033422772244,12.253640359130388,21.829682419358054,44.571318694690575,0.750766361441402,1.1210001082466745,10.758302066327833,1.4630344414749852,1.2278539942697786,0.7999219034535883,0.1087823420487295,0.5575652950871547,0.5950654543095496,0.47692435465089994,13.449190502072597,30.745783301249876,63.52110891375787,0.6998828551803825,1.6295551040476042,10.385316864904416,1.2245229179777115,1.0146039978540653,0.82263559846902,0.09699618765352873,0.5195589083889212,0.4185659662906489,0.32715700510704987,12.624443780736193,24.496448369693272,50.02367055717786,0.7339533977035301,1.2652818797866199,10.851916363431528,1.5229345946454342,1.2813363036851992,0.7946519885398249,0.11151975038521246,0.5673152505196252,0.6442143298171281,0.5188305528997226,13.656187261762161,32.38310463334633,67.21562798938956,0.6919779828097374,1.730360133236476,10.779334778954158,1.4680499125950952,1.2301132284779834,0.7998023700627939,0.10892599808259726,0.5597488150239186,0.5987335370007373,0.4782887443130334,13.477497920027236,30.89027140341041,63.83382093947254,0.6997035550941908,1.6367710963376894 +UMLCN0273,L,octadecan-1-ol,CCCCCCCCCCCCCCCCCCO,Alcohols,,C18H38O,NREL (2014),Other Ignition Delay Method,PubChem,,81,0,-5.005400000000002,25.054029160000017,59.7611,57.82013399999995,0,0,57,19,38,0,18,0,1,0,0,0.0,0.0,0.0,0.0,0.0,2891.3326109999966,3108.743294000002,3400.4613490000042,3260.604203999999,3063.847474999998,2867.0907459999976,2670.3340169999974,2473.577287999997,2276.8205589999966,9020.877296827659,11829.785268149088,15896.265225870968,16630.156569047955,15623.358224092837,14616.559879137707,13609.761534182579,12602.963189227448,11596.164844272318,404.38263599999976,411.04620800000026,782.227996000001,1095.5770800000032,1032.6921800000032,969.8072800000032,906.9223800000028,844.0374800000022,781.1525800000018,67.738694384262,90.48654745599994,133.87163576897993,149.7484295811282,140.72690072173197,131.7053718623357,122.68384300293961,113.66231414354364,104.64078528414771,9494.620472343964,8159.565924018454,16969.35295963526,25845.786317954524,24366.831162915947,22887.876007877367,21408.920852838786,19929.96569780021,18451.010542761633,116.25,111.0,183.75,227.5,215.25,203.0,190.75,178.5,166.25,50.72513352631573,55.51327310714289,31.196893110091782,20.901308999999994,20.84249982993196,20.776019898550707,20.700263697674398,20.613144066666642,20.511896927927896,158.2610052075028,211.24616550266228,145.83729565019237,106.6035677503074,106.28134846321657,105.91710057346164,105.50202739676418,105.02469324356207,104.46995355200286,7.094432210526311,7.340110857142862,7.176403633027532,7.022930000000021,7.025116870748321,7.027588985507269,7.03040604651165,7.033645666666685,7.037410630630647,1.188398147092316,1.6158312045714276,1.2281801446695406,0.9599258306482576,0.9573258552498773,0.9543867526256211,0.9510375426584466,0.947185951196197,0.9427097773346641,166.5722889884906,145.7065343574724,155.68213724436018,165.67811742278542,165.76075621031256,165.85417397012586,165.96062676619215,166.08304748166842,166.22532020505975,2.039473684210526,1.9821428571428572,1.6857798165137614,1.4583333333333333,1.4642857142857142,1.4710144927536233,1.4786821705426356,1.4875,1.4977477477477477,0.280891399232862,-0.1004999904547209,-0.05948581085695776,0.015331400039786107,0.0013317092120782009,4.771070849959348E-5,7.193928046114739E-7,4.366622294652012E-9,8.511802374044919E-12,1607.6345232631618,-67.69125303047025,-779.2639047313025,3.005869385039613,2.9618135844859346,2.9177577839324833,2.8737019833785773,2.8296461828246713,2.7855903822709926,2768.038996842644,-73.37677540932721,-1349.9505144494126,-6.339001691022894,-6.434427382329567,-6.529853073636467,-6.62527876494314,-6.72070445625004,-6.816130147557168,1.2968450526315753,-0.06859822714682247,-0.2450723988919729,0.006006382271472321,0.0037225484764580362,0.0014387146814437745,-8.451191135705107E-4,-0.003128952908584717,-0.005412786703598919,12.327202075175022,-0.19085752465061728,-5.767342765807098,-0.06458603820497916,-0.06667308529639476,-0.0687601323878077,-0.07084717947922065,-0.07293422657063448,-0.0750212736620483,67.35867751812586,-0.8203438291449457,-30.89859228466883,-0.4125248673494908,-0.42792371793811546,-0.4433225685267401,-0.4587214191153577,-0.47412026970398946,-0.4895191202926177,26.56140350877188,-1.5866420437057536,-3.494613727300714,0.06001846722067848,-0.009233610341647908,-0.07848568790397252,-0.14773776546629713,-0.21698984302862306,-0.2862419205909499,0.004927919284787053,-0.0017946426866914445,-5.457413840087868E-4,9.827820538324428E-5,9.059246340668032E-6,3.4572977173618463E-7,5.576688407840883E-9,3.63885191221001E-11,7.668290427067494E-14,28.204114443213363,-1.2087723755441115,-7.1492101351495645,0.019268393493843676,0.020148391731196834,0.021143172347336835,0.022276759561074243,0.02358038485687226,0.025095408849288223,48.562087663906034,-1.310299560880843,-12.384867105040483,-0.04063462622450573,-0.043771614845779364,-0.047317775895916424,-0.05135875011583829,-0.056005870468750336,-0.061406577905920426,0.022751667590027638,-0.001224968341907544,-0.0022483706320364488,3.850245045815591E-5,2.5323459023524057E-5,1.0425468706114308E-5,-6.551310957910936E-6,-2.6074607571539308E-5,-4.876384417656684E-5,0.216266703073246,-0.0034081700830467373,-0.05291140152116604,-4.1401306541653305E-4,-4.5355840337683515E-4,-4.982618288971572E-4,-5.492029416993849E-4,-6.077852214219539E-4,-6.758673302887235E-4,1.1817311845285239,-0.014648996949016889,-0.28347332371255807,-0.0026443901753172485,-0.0029110457002592886,-0.0032124823806285517,-0.0035559799931423075,-0.003951002247533245,-0.004410082164798357,0.4659895352416119,-0.028332893637602743,-0.03206067639725426,3.8473376423511844E-4,-6.281367579352318E-5,-5.687368688693661E-4,-0.0011452539958627685,-0.0018082486919051921,-0.0025787560413599087,-0.3641785879553008,-0.11074478952882638,0.019943144297561503,0.001838351202024508,7.015735278040871E-5,1.1316517348522004E-6,7.384154857088438E-9,1.5560909146260215E-11,-0.04285801555577553,-0.2534811064372861,6.831766880197207E-4,7.143777469689375E-4,7.49648509259415E-4,7.89840773264718E-4,8.360618768708162E-4,8.897782945752734E-4,-0.026981944638568914,-0.2550316038872765,-8.367561647212208E-4,-9.013536474938822E-4,-9.743768888890984E-4,-0.0010575894197812853,-0.0011532838303073391,-0.0012644962533511735,-0.05384081571429358,-0.098822234596199,0.0016922913586796622,0.001113037491573746,4.5822877223663074E-4,-2.879486056126481E-4,-0.00114605259013929,-0.002143308572156737,-0.015759106855633,-0.24465810394883494,-0.0019143634204120345,-0.0020972179116413602,-0.0023039229886831175,-0.0025394706346144225,-0.002810350427435457,-0.0031251566731463894,-0.012396217634606478,-0.23987970142774528,-0.002237725643478117,-0.0024633738521681737,-0.0027184544359047597,-0.0030091276592324498,-0.003343401866059394,-0.0037318827010204107,-0.06080156633327047,-0.06880127979833507,8.256274768823661E-4,-1.347963227563786E-4,-0.001220492791913193,-0.002457681791650028,-0.003880449141347411,-0.005533935520725469,1.4013712096006954,0.9198796369028122,0.6427935173256469,0.6818508090040972,0.7097638905775954,0.7396834249373342,0.7740140106403133,0.8139104385346496,1.468019157867808,1.4285024727853448,0.944053808816693,0.9444763184843917,0.944953938108747,0.9454982023318493,0.9461241061884171,0.9468515079676716,1.525919656766645,1.4811510444839708,0.9765153236004327,0.9743354905753889,0.9718713315036003,0.9690633362822598,0.9658341417777183,0.9620812941102781,1.0910324229782618,0.9389591670861318,0.6429381658165242,0.6683684253222258,0.6971156751982363,0.7298741692429926,0.7675464373944623,0.8113277220029271,1.5416881803538673,1.484530119976099,0.9786526718816839,0.976366330270004,0.9737817701872356,0.9708365738138482,0.967449597984453,0.963513382831372,1.5427495508179654,1.4806156446752767,0.9762631296457838,0.9741972189107442,0.9718618415580907,0.9692005975980903,0.9661401670440899,0.9625834504543055,1.072985468956409,0.8655726976355258,0.5980337364089027,0.6274768824306486,0.6607604388030568,0.6986882123437081,0.7423051519154572,0.7929951087150574,248.61284086561324,124.4314204328065,197.6751722253075,248.83652507613934,13.096659214533648,124.4314204328065,0.24999999999977263,0.008267271001326959,4.351195263856294E-4,-9.11135654308903,370.91618924252003,19.52190469697474,11.240354650952707,248.61698448063106,124.43312502986484,197.67709916665967,248.84001157771922,13.096842714616804,124.43312502986484,0.24926557909863334,0.008243179105318577,4.3385153185887244E-4,-9.116901471859432,371.3253954531826,19.54344186595698,11.242449634297916,252.33462413126853,125.96781482660526,199.41735209921285,251.9776290719535,13.261980477471234,125.96781482660526,-0.39899447805798616,0.0134805238690211,7.095012562642683E-4,-8.182367691975564,310.27057998957054,16.33003052576687,10.901145035360814,248.6213333983137,124.43491409926622,197.6791216124885,248.84367085114098,13.097035307954789,124.43491409926622,0.2484948002187366,0.008217893308443691,4.325207004444048E-4,-9.122738643416918,371.7568147875286,19.56614814671203,11.244655841945093,256.3763274261764,127.64701658091853,201.33476362188048,255.40795887387281,13.442524151256464,127.64701658091853,-1.0822942643392963,0.037449143886422565,0.0019710075729696087,-6.241065715966094,223.13902538384602,11.744159230728737,10.274810517900933,249.04737559862792,124.61025489225304,197.87740338018278,249.20228513336104,13.115909743861106,124.61025489225304,0.17313418587815477,0.005739608479492508,3.020846568153952E-4,-9.804692132236852,427.0101740769945,22.474219688262867,11.507934895663656,254.07150493536665,127.26763660555766,203.03378412678506,254.5978207248404,13.399885301307389,127.26763660555766,0.6666666666667851,0.016150328111275536,8.500172690145019E-4,-7.839048334761179,291.3244004349328,15.332863180785935,10.781431106349887,0,11.996163381923397,15.997945681813368,-0.4217334461347463,0.06985110727173434,3.9456602969657597,7.630778643971652,18.0,56.0,56.0,56.0,18.0,0.0,0.0,0.0,0.0,0.0,41.54186599999999,3.552966258306355,3.492917214518387,3.3948804921728075,3.261929773138351,3.0983671289078787,2.909691584900185,2.7025151473221065,2.4843894869830607,1.9566516070999094,1.9096926443509372,1.8338281460508807,1.732705768819126,1.6114313145300065,1.4763813690726493,1.3347687104495674,1.1939315848707046,3.5799294332565266,3.5184852103602466,3.4184454871323626,3.283328252323168,3.117986922212493,2.9285212910262253,2.7221288258009406,2.5068562253605484,1.8987777954169789,1.8508984390327532,1.7733784776572814,1.669667460451191,1.5446008142427368,1.4042799055586164,1.2557557147270095,1.1064488487619693,3.7018198068821504,3.646896947876794,3.5575813393366023,3.437214753951884,3.2904711175917587,3.123300060334996,2.942771240490134,2.7567490356383497,1.7251358045679919,1.6691319886224725,1.5782984376686984,1.4563681993311932,1.3084974333115331,1.1411469643845427,0.9618471397639766,0.7787756333719965,3.600187038767403,3.539018796528216,3.439503013720842,3.305253613882229,3.1412567032404644,2.953775622297368,2.7501872571526063,2.538703130519368,1.8618732115851582,1.8135927951438648,1.7352283535245727,1.6300032900360073,1.5025063760758337,1.3586325927844378,1.2053362327758925,1.0501169022284036,3.7600819998800183,3.7067945083498306,3.6203245571307674,3.5041804859888814,3.363240678842947,3.203661478232541,3.03266228590592,2.85811154528201,1.6706426603775755,1.6127827154522236,1.5187915185307614,1.392304517449413,1.2383441619692905,1.0632189777178631,0.8743321596651792,0.679838786525879,4.555491532235464,3.6299728448647754,3.5704505031691416,3.470935294086093,3.334276696429241,3.166342542630691,2.975185138180991,2.770253967689074,1.8049574379158213,1.7463892161311891,1.6522843677087933,1.5277533530575453,1.3795889422904168,1.2157935964106448,1.044890752596173,0.8751116384559259,0,0,0,0,0,2,16,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.020815280171313,9.414213562373096,6.303300858899108,4.207106781186548,2.7980970388562802,1.8535533905932737,1.2222718241315031,0.801776695296637,0.737937646324806,0.5230118645762831,0.3707824034646534,0.26294417382415924,0.1865398025904187,0.13239667075666242,0.09402090954857717,0.06681472460805309,13.468028875671271,9.023334547203385,6.026907656649088,4.0116672736016925,2.65990043773127,1.7558336368008463,1.1531735235689977,0.7529168184004231,0.70884362503533,0.5012963637335214,0.3545239798028875,0.2507292046001058,0.17732669584875133,0.12541668834291758,0.08870565565915367,0.06274306820003527,29.00952737634841,55.19956300072841,52.13333333333327,52.840000000000046,33.65277485029945,438.94867305389226,0.5089390767780423,0.9684133859776914,0.9146198830409346,0.92701754385965,0.5903995587771833,7.70085391322618,6.240200000000008,86.63180000000008,125.01620054396592,198.3369898780148,250.03240108793187,13.159600057259572,125.01620054396592,7.771561172376096E-16,4.0902953538821554E-17,-66.1026917991814,2000090.626599441,105267.92771576006,27.566535796514916,486,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,17.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6063367560869768,0.0,8.670099556057359,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6063367560869768,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.193663243913024,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.284366247995293,0.0,22.545534195947347,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.670099556057359,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6063367560869768,0.0,8.670099556057359,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6063367560869768,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2027700831024931,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.284366247995293,0.0,0.3734567901234569,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.670099556057359,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6063367560869768,0.0,8.670099556057359,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6063367560869768,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.284366247995293,0.0,1.4631686994324358,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.670099556057359,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,33.5,1.763157894736842,0.6063367560869768,8.670099556057359,0.2027700831024931,0.3734567901234569,11.853793701580587,1.126543209876543,2.6700995560573584,5.908931608105302,1.126543209876543,2.6700995560573584,5.908931608105302,9.33333,0.49123,0.0,0.00877,0.44678,0.74035,0.42881,0.44678,0.71833,0.01797,0.0,-0.01797,0.02202,0.66351,0.05078,0.0,0.08929,0.0,0.0,9.25,0.48684,9.25,0.48684,0.0,0.0,-9.25,-0.48684,0.0,0.0,24.59416,1.29443,25.65601,1.06185,0.05589,9.07596,0.47768,9.41421,0.33826,0.0178,-2.1E-4,-1.0E-5,-2.1E-4,-1.0E-5,0.0,18.01,1,1,1,1,1,1,1.0,1.0174532503609193,1.328508004896827,1.972225866603866,2.44455206976836,2.6658811388134884,2.777735730705781,57.994835270572395,75.72495627911914,112.41687439642035,139.3394679767965,151.95522491236883,158.33093665022952,0.17443381375100667,0.22776153873476845,0.33812155926384024,0.41909791952736053,0.45704292937799157,0.47621945964354806,4.815436763803823,4.504382009267915,3.8606641475608763,3.3883379443963824,3.1670088753512537,3.055154283458961,0.17520080381111358,0.22876301220214093,0.33960828863979375,0.4209407040860231,0.4590525591414929,0.478313409114248,8.33157078685558,10.777666852961726,13.489292658983585,15.031465434061543,15.822554975153334,16.162347870982313,72.35356062959772,66.51393901578949,61.13959510469785,56.65493031099341,54.662484513459894,54.112158362122045,19.0,18.0,18.0,19,0,18,3.33,2.7034999999999996,0.0,2.368665391348515,0.0,0.0,29.494413321441016,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.385,0.375,0.449,0.20500000000000002,9.606000000000002,17.0,16.0,15.0,14.0,13.0,12.0,11.0,10.0,9.0,154.0,2.9444389791664403,2.8903717578961645,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,5.043425116919247,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.0,0.8888888888888888,18.0,1.0,2,9.0,18.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.027777777777777776,0.013071895424836607,0.0078125,0.005333333333333334,0.003968253968253968,0.0031397174254317113,0.0026041666666666665,0.0022446689113355773,0.0020000000000000005,0.0018365472910927456,0.08404039686301618,125.01620054396592,198.3369898780148,250.03240108793187,13.159600057259572,125.01620054396592,7.771561172376096E-16,4.0902953538821554E-17,-66.1026917991814,2000090.626599441,105267.92771576006,27.566535796514916,20.23,328.67440866696256,5.247927513443585,4.2626798770413155,4.919980925828125,5.58724865840025,6.255750041753367,6.928537818164665,7.601402334583733,8.27664912542186,8.951699168308815,9.62832676063802,99.41227471014015,3.6109179126442243,0.0,4.653960350157523,0.0,5.820082930352362,0.0,7.0431599159883405,0.0,8.298290634359283,8.640472207576408,270.2922658360004,4.741969576070183,36.82842843374334,1.9383383386180706,2.4142104021744073,2.4142104021744073,0.0,1140.0,16.0,8.817,70.0,1.2395714285714288,2.1464677507490975,2.863365468939211,3.5983957456606332,4.93891709451413,5.953874969740991,7.277165659394779,8.382590452531195,9.688761546914797,10.833788483989082,80.68446226394641,74.58094099640925,73.54865304020115,97.97336371100818,123.15379009576867,147.86405168298063,172.77628081352697,197.05994089884763,221.22716572918907,244.57255218766906,289.1415768554593,333.9226594094881,338.36076846005903,455.29581437275147,580.8800683063432,704.4673149121587,829.9765811828145,952.5552468674242,1074.4887935047627,1192.4086106870584,9.13092944235715,15.450401717310577,20.172232218306775,25.52014999922182,34.87074436979706,42.11150693868023,51.38533140866762,59.253083549917456,68.44924373936172,76.61739496813279,2.1508175759450348,2.761676428818218,2.9335729219584565,3.910809851456377,5.0639286050439765,6.145824249840915,7.296019373543492,8.386064839812986,9.504909580672503,10.564505839823138,178.1786293924416,330.8827192079709,470.61892146539464,581.4262988521526,809.3200531012997,972.7467023523682,1196.7742417212837,1378.0974089964443,1599.4689469602245,1789.7296720942102,2.519785714285714,3.694899305637727,4.294753278128856,5.651692831478101,7.539065532534504,9.215187979837625,11.16358373292383,12.988748107459784,15.010318181104946,16.973239547184065,0.4520180196428568,0.5908304619380395,0.6340252768326476,0.8443040452304283,1.0972872466231445,1.3332405569300663,1.586962038478452,1.8272741148677232,2.076589538798224,2.313831930485945,794.2270532266631,1024.1691994753592,28.930888659797233,215.48158649156693,-277.86714522272297,-25.67783474002555,578.7454667350962,1302.036344698082,54.60872339982278,0.7865903310962066,1.0143215173053923,0.02865270982317305,0.21340966890379318,-0.27519537249900594,-0.02543093495485115,801.9379175409125,1034.1124892435737,29.21176823452344,217.57361958072622,-280.56485722522353,-25.927131586260714,0.16263730223214978,0.3068635367263457,5.6198733310062945,11.858992800983094,936.5081809864948,73.20045873173551,0.9275033847861668,0.07249661521383323,1153.0665743858538,33.956833986487226,10.486199782206192,1529.5178414759525,39.10905063378492,11.521742964329299,1979.6430226637085,44.49317950724255,12.556317666260544,4.754466098514092,4.754466098514092,12908.277055356477,12849.848961015785,118.39590529340421,1.0045469868570402,109.02638079727232,108.532883203788,7.919910119181716,11.837186512466078,22.86729456510106,0.9318183878423189,11.033657886725985,16.507595301708896,7.449509566559216,79.13935407579558,31.044486438978527,0.09398063512486496,13.953593431935182,6.723764978278528,60.315856717924575,1.0989063173427533,2.0414602133790822,58.197691048150986,5.138611226389516,68.68806375621841,1.3549701142762611,1.6212936559053164,31.753397903119915,4.4246890073517555,64.15868015299058,2.1435649821393152,3.132992970099902,21.379525068993374,5.219385911718473,52.72724914054328,2.897674574294393,4.238607708986371,13.139090486893174,5.008635222463015,37.386963688878176,3.625708421617473,0.945883499918509,16.63389939456903,0.6106099439736506,16.485154108216324,0.2229041443765532,0.023943417961755257,2.0568373047396196,0.2010586101575613,15.32596658917112,0.026275417169601408,0.22830171842890495,3.9476256932028537,0.13416422277286014,13.784463932263085,0.05720420388088625,0.4425389245563359,1.1241993625073476,0.11428932027500864,10.998818943251152,0.09314005368636896,0.6915906142126348,0.3319851469537552,0.1216959079495497,7.892954026026131,0.1259071238227929,0.9512841966574418,0.13106209095081675,0.12645122556407204,5.04878032929691,0.15338532558078896,2.9339781606668067,16.397714336122412,1.7398701449317557,20.707151703954597,2.289422194804735,0.01919363097361022,4.271330107589956,0.8883615145599723,20.900767925603223,0.12827538180980427,0.3915115801535379,13.177569364250031,0.6288155651786661,22.12522658648033,0.22189756600699437,0.5217865968765824,4.61089622023266,0.5382201392437139,19.202208150119766,0.3578324607204049,0.7747337809495324,2.027086839385258,0.6010768854749073,14.549599619779825,0.4837191359084447,0.9944546099071696,1.0611900451691243,0.6013868441981606,9.656641984559796,0.5945757148515878,10.637831060260218,16.634068348233882,7.495662642425882,72.52038939028387,27.663008771113038,0.09156718223223542,13.839759886855509,6.096584069616799,56.98898289832496,0.9918686936823249,1.9119639008705336,54.270684978406805,4.6458631951302625,64.7123256946886,1.2400714283611716,1.61520078022545,28.90156813677192,3.9995395650466934,60.17538739703222,1.9636148678949195,3.0463870597583718,19.170901107150687,4.7088271736402785,49.20908363225582,2.654417894036601,4.138268077150442,11.732477636366907,4.5253105720057984,34.75988951668721,3.3184726579357924,4.25724316231923,16.308006909026776,2.452488242562837,26.108075289231213,4.962459675216888,0.022031883439365213,5.680059364725326,1.5514262836962642,25.635429166408052,0.23301910632907255,0.5677967099963899,20.04929936742113,1.1248151017723413,28.61042012334229,0.3647083228061703,0.6300983072572197,7.825104562828087,0.9646063749548742,25.57326845535631,0.5852146816044999,0.9622250722611203,3.963032947608375,1.0967803343565226,19.83614752486454,0.7910949238452577,1.2125442985647974,2.2119059500927243,1.082298128545578,13.39923281677348,0.9768905467089082,13.505370021112991,16.58809170068259,9.600111196365065,107.9569092817106,45.261586582146904,0.13126392215665791,17.19386640803183,9.30466838359109,76.79572972301897,1.5421931774084383,2.73549634108915,73.66178733669886,7.174681027217211,86.09164976214001,1.8206394836235498,2.006408935207988,43.42942547424008,6.181997385985252,80.76157065494787,2.8716342699533057,4.143230114358456,30.602248613572247,7.335261192042653,67.16844667108093,3.8818789871391646,5.713158778219457,19.04010355990293,7.007924207305583,48.1312654935231,4.870746475450304,8.647150331617457,17.323971086622453,7.768493456179776,44.40878909784309,13.312459095231715,0.10010827794766491,13.18564541502259,3.3089297104259243,42.10925795966298,0.5224513077704677,1.4304354376972532,35.197769686763664,2.474516439099031,46.05683025866701,0.7133100433248218,1.7886228805654034,16.18712777319422,2.127278840535746,41.490270423702626,1.135821755204239,3.049775778589662,9.679410237522273,2.47278874216243,32.96669982139099,1.5354063639065076,4.284069403713829,5.739627637172715,2.3998900414609023,22.861269015153386,1.9095944113310517,46.387286509745906,0.8324457038075366,0.5219491605263159,0.9716307673849712,0.017436455521641803,0.5573930666230006,0.7164669862383086,0.6315737767195188,47.74168137407976,63.26119695546893,131.15789159371306,0.9574461510774568,1.905433829580828,47.66258662022275,0.3270222536096057,0.11086506507258771,0.9908964032404675,0.006798732462074587,0.588483067285664,0.11041464657135694,0.028494242445281908,48.10047393890494,20.90709760001374,70.73559498543555,0.9863446048607013,0.7273919563023028,45.557730673119316,0.532971844390266,0.2778393134264985,0.9825137663208592,0.011494255013097669,0.5376355277903315,0.29369903695978283,0.1789596315480961,46.36854183093608,37.08679688589725,90.20155168068995,0.9737706494812888,1.0102941962982104,46.8991848398273,0.8161000774439007,0.5087470264339147,0.9725272431507928,0.016923099221495718,0.5697651972414112,0.6886706902858304,0.6000279080016613,48.224031943705114,62.54943769694761,130.2454712673536,0.9587908647261891,1.8584637955289027,45.075593211249284,0.6253002121734248,0.3529853977911321,0.9787578020569696,0.013577579743085443,0.5263146127409856,0.404094705817161,0.2888558468315628,46.05387882121384,44.31752604331416,100.32057292350008,0.9681367030854545,1.2192651653897093,46.66066260631833,0.8691504054708208,0.5519020823221541,0.970445054112327,0.018076526674841265,0.5639827899369608,0.781079244618505,0.7061415199378626,48.0817150941113,66.7869365974078,137.25111449773829,0.9556675811684904,2.0512035544933283,47.00294524724583,0.8186219385494269,0.510837065343204,0.9724934229014416,0.016937331201150506,0.5722890337152919,0.6929335185629073,0.6049681145233646,48.33240425113846,62.90667119713747,130.8948812484876,0.9587401343521623,1.8701906668015638 +UMLCN0274,L,3-ethyldecane,CCCCCCCC(CC)CC,Alkanes,,C12H26,NREL (2014),Unknown,PubChem,,48,0,-1.912600000000003,3.6580387600000113,45.33189999999999,38.45661799999996,0,0,38,12,26,0,12,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1757.5871159999972,1901.689618999999,2136.8902909999983,2164.324018999996,1922.192000999995,1546.9676949999944,1274.5202459999953,1068.6189409999965,871.8622120000002,5890.380176196138,7641.837944876109,10235.520694871275,11074.781794506407,10624.526967627957,9170.43767747443,7381.968401003382,6095.416356169891,5088.6180112147695,265.16625600000015,268.0041080000001,510.3353720000001,691.7339000000012,691.6864680000014,686.849020000001,561.1029359999999,437.75185999999974,374.86695999999995,45.02673552607405,59.63005206000002,87.23226902243289,99.23681745335577,97.22396888365776,87.1839434521478,70.14731001820505,57.124265015168106,48.10273615577209,6329.391225710475,5375.924157525401,11275.730100769837,16268.506705424561,16257.57288004766,16628.18030640695,13675.73690901821,10532.522885761371,9053.567730722774,57.77777777777778,69.58333333333334,111.0833333333333,138.91666666666663,142.66666666666666,135.41666666666669,108.16666666666667,86.83333333333334,75.0,46.25229252631571,51.39701672972971,29.679031819444422,21.861858777777737,19.416080818181765,15.625936313131255,15.734817851851794,16.962205412698356,16.145596518518524,155.01000463674046,206.53616067232727,142.16000965098993,111.866482772792,107.31845421846421,92.63068361085283,91.13541235806645,96.75264057412525,94.23366687434758,6.978059368421056,7.243354270270273,7.087991277777779,6.987211111111123,6.986732000000013,6.937868888888899,6.927196740740739,6.948442222222218,6.94198074074074,1.1849140927914223,1.611623028648649,1.2115592919782345,1.0023920954884422,0.9820602917541188,0.8806458934560384,0.8660161730642598,0.9067343653201286,0.8907914102920758,166.5629269923809,145.29524750068651,156.60736251069218,164.32835055984404,164.2179078792693,167.96141723643385,168.83625813602728,167.18290294859318,167.65866168005138,1.5204678362573099,1.8806306306306309,1.5428240740740735,1.403198653198653,1.441077441077441,1.367845117845118,1.3353909465020577,1.3783068783068784,1.3888888888888888,0.05346044851157826,-0.006120032229340372,-0.019931658712868647,0.003273290787251893,-0.00990475856083723,-0.0015817492324500017,0.004695434894702829,2.5917220249354613E-4,0.0018489289485928914,994.0156528421055,-56.67633108310406,-322.2837524903059,3.6889919639887516,-238.44302603601062,-21.79858887811541,98.59669431024989,-10.39625008033221,-10.731612986149345,1848.4145524483527,-105.39205781503773,-599.3003997648003,6.859838082635882,-443.3949887958099,-40.53540685193764,183.3447632995333,-19.332270960154897,-19.955892604030947,0.1947208421052631,-0.011102504155120298,-0.06313317451523165,7.226481994467363E-4,-0.046709351800553044,-0.00427019390581846,0.019314415512463802,-0.002036554016621131,-0.0021022493074799448,8.263273075602317,-0.4711515350123874,-2.6791516280883103,0.030666667959396016,-1.982181901738607,-0.18121212885093396,0.8196363981872679,-0.08642424606736675,-0.08921212497276641,44.886230494633914,-2.5593026159226975,-14.553194165096027,0.16658182707175317,-10.767243549826244,-0.9843471599698641,4.452277923557011,-0.46945787629331837,-0.48460167875438676,3.695906432748533,-1.032856263465684,-1.1825946445060016,0.6562788550323198,-0.36565096952908416,-0.4577562326869806,0.3587257617728552,-0.06602031394275035,0.3444136657433067,0.0014068539081994278,-1.654062764686587E-4,-2.768285932342868E-4,3.3063543305574675E-5,-1.0004806627108313E-4,-1.597726497424244E-5,5.796833203336826E-5,4.113844484024541E-6,3.423942497394243E-5,26.15830665373962,-1.5317927319757854,-4.476163229032027,0.03726254509079547,-2.4085154145051577,-0.2201877664456102,1.2172431396327146,-0.16501984254495572,-0.19873357381758047,48.64248822232507,-2.84843399500102,-8.323616663400005,0.06929129376399881,-4.4787372605637366,-0.40944855405997616,2.2635155962905347,-0.3068614438119825,-0.36955356674131384,0.005124232686980608,-3.000676798681162E-4,-8.76849646044884E-4,7.299476762088245E-6,-4.718116343490206E-4,-4.3133271775944043E-5,2.3844957422794818E-4,-3.232625423208145E-5,-3.893054273111009E-5,0.2174545546211136,-0.012733825270605065,-0.03721043927900431,3.09764322822182E-4,-0.02002203941150108,-0.001830425543948828,0.010118967878855158,-0.001371813429640742,-0.0016520763883845632,1.1812165919640503,-0.06917034097088372,-0.20212769673744482,0.0016826447178964967,-0.10876003585683075,-0.009942900605756203,0.05496639411798779,-0.0074517123221161646,-0.008974105162118273,0.0972606955986456,-0.027915034147721188,-0.01642492561813891,0.006629079343760806,-0.0036934441366574156,-0.004623800330171521,0.004428713108306855,-0.0010479414911547674,0.0063780308470982715,-0.11757175034638467,-0.19677138587089535,0.02350176028432923,-0.07111475163695595,-0.011356733546478226,0.04120423001671826,0.0029241447601973647,0.024337583863106305,-0.05855855855856016,-0.17111823361823422,0.0014245014245013593,-0.09207459207459187,-0.008417508417508055,0.04653371320038013,-0.006308506308506186,-0.007597340930674093,-0.058558558558558606,-0.17111823361823375,0.001424501424501486,-0.0920745920745922,-0.008417508417508435,0.04653371320037995,-0.006308506308506328,-0.007597340930674321,-0.0585585585585356,-0.17111823361822334,0.001424501424502909,-0.09207459207459018,-0.008417508417510954,0.046533713200376095,-0.0063085063085082695,-0.00759734093067687,-0.0585585585585554,-0.171118233618232,0.0014245014245018056,-0.09207459207459183,-0.008417508417508695,0.046533713200379495,-0.006308506308506387,-0.007597340930674422,-0.058558558558572026,-0.17111823361823933,0.0014245014245005687,-0.09207459207459287,-0.008417508417506898,0.04653371320038202,-0.0063085063085051496,-0.007597340930672768,-0.28701248717071604,-0.16887526371308037,0.06815784426543953,-0.037974683544303674,-0.047540276179516755,0.04553445850914238,-0.010774562989752672,0.06557665260196935,1.6438988335074172,1.3329882796050525,0.9365908487515399,1.0817269310734914,0.9270282096545932,0.828405781062966,0.924883098333559,0.9093218072172427,1.5833333333333341,1.3769586894586903,1.001424501424502,1.0924630924630931,0.910385910385911,0.8345204178537516,0.9298941798941803,0.9179724596391268,1.5833333333333341,1.3769586894586898,1.0014245014245018,1.092463092463093,0.9103859103859108,0.8345204178537515,0.9298941798941803,0.9179724596391269,1.5833333333333313,1.3769586894586878,1.0014245014245002,1.0924630924630916,0.9103859103859092,0.8345204178537501,0.9298941798941786,0.9179724596391251,1.5833333333333335,1.3769586894586883,1.0014245014245005,1.0924630924630911,0.9103859103859097,0.8345204178537513,0.92989417989418,0.9179724596391262,1.5833333333333313,1.3769586894586867,1.0014245014244993,1.0924630924630903,0.9103859103859087,0.83452041785375,0.9298941798941787,0.9179724596391254,1.8864715189873442,1.1007548786919845,0.7162806866129658,1.0112197928653637,0.9859392980437297,0.7724595639943751,0.9269514767932501,0.9115022855133625,89.42958468860833,44.71479234430417,69.6646317678348,89.42958468860833,7.452465390717361,44.71479234430417,1.4210854715202004E-14,0.13344897204962203,0.011120747670801836,-2.4168433272588956,79.97706373836631,6.664755311530526,5.2580878683554655,89.42958468860833,44.71479234430417,69.6646317678348,89.42958468860833,7.452465390717361,44.71479234430417,1.4210854715202004E-14,0.13344897204962203,0.011120747670801836,-2.4168433272588956,79.97706373836631,6.664755311530526,5.2580878683554655,89.42958468860833,44.71479234430417,69.6646317678348,89.42958468860833,7.452465390717361,44.71479234430417,1.4210854715202004E-14,0.13344897204962203,0.011120747670801836,-2.4168433272588956,79.97706373836631,6.664755311530526,5.2580878683554655,89.42958468860833,44.71479234430417,69.6646317678348,89.42958468860833,7.452465390717361,44.71479234430417,1.4210854715202004E-14,0.13344897204962203,0.011120747670801836,-2.4168433272588956,79.97706373836631,6.664755311530526,5.2580878683554655,89.42958468860833,44.71479234430417,69.6646317678348,89.42958468860833,7.452465390717361,44.71479234430417,1.4210854715202004E-14,0.13344897204962203,0.011120747670801836,-2.4168433272588956,79.97706373836631,6.664755311530526,5.2580878683554655,89.42958468860833,44.71479234430417,69.6646317678348,89.42958468860833,7.452465390717361,44.71479234430417,1.4210854715202004E-14,0.13344897204962203,0.011120747670801836,-2.4168433272588956,79.97706373836631,6.664755311530526,5.2580878683554655,103.34177650733315,51.562091957370285,80.88552106181957,103.16044934683934,8.596704112236612,51.562091957370285,-0.21759259259258812,0.10587352845488818,0.008822794037907348,-2.6946120299973195,170.03941916491377,14.169951597076148,6.163236345133815,0,11.889999999999995,12.11019763308084,-0.16903636701187247,0.05150518417552187,5.1368160631844635,8.879858786927487,11.0,37.0,37.0,37.0,11.0,0.0,0.0,0.0,0.0,0.0,28.423381999999993,3.5743932277439487,3.4016397190570125,3.089863729844332,2.9025640775777073,2.688259818333922,2.290298521880515,1.9660943769783774,1.628041854827522,1.9594317444922513,1.849793087549857,1.6444148042822595,1.5630263350622533,1.3798121758099169,1.1263654382872565,0.9430463169108222,0.7697185163332705,3.6002502618090824,3.4322342343244623,3.1283629305163707,2.9503089512514653,2.73776948013995,2.3522785265838007,2.0413305645050537,1.7198870357644536,1.9028312285663518,1.7850745578526597,1.5662595433373487,1.4734536838206147,1.285811491283721,1.0168207253758825,0.8196048516917256,0.6303371850352767,3.714093019081123,3.566229736940471,3.2964852441268646,3.1555984077028594,2.9520822664826842,2.6173688249570035,2.3582248599244395,2.098052272932701,1.7368511720317321,1.5928532201055483,1.3296932487296362,1.1954927464150689,0.9939100250323566,0.6683645664084246,0.4181942125671673,0.16806489113951778,3.6193064231708476,3.4547485613422895,3.156685721618297,2.9852679791261,2.774117156052444,2.397635285444035,2.096137311506649,1.786301025744453,1.8668362365416875,1.743693346978829,1.5158690562444126,1.4151331810518288,1.2245627116681068,0.9447691140257535,0.7377386263742872,0.536857123614395,3.7696325189962105,3.631094591823184,3.3772294891905257,3.252217517920575,3.0534389337028505,2.7404825953720495,2.502449991899891,2.2656527750067728,1.6852237508021786,1.5323733341305916,1.2541390798552816,1.104407162995439,0.8984747562075941,0.5516332308176011,0.28044080404468164,0.0065259424186105315,3.6085368313165636,3.479561522007921,3.222097950744152,3.1394584168404593,2.8643335582531324,2.502236786914336,2.202499426713709,1.900433503644785,1.8603462739218057,1.704262771952385,1.4323639490329456,1.2537385064568014,1.107854300002279,0.8082267433317452,0.593893725137593,0.3885865623792025,0,0,0,0,0,3,8,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.5525858577612696,0.5948613524427102,0.2762929288806348,0.5525858577612696,0.5948613524427102,0.2762929288806348,9.234204518682008,5.846065214951231,3.8854106816800735,2.8706263646683206,1.7334895175441691,0.8966380477393471,0.5456304961780413,0.3185684235620755,0.7695170432235007,0.5314604740864756,0.35321915288000666,0.2609660331516655,0.19260994639379658,0.12809114967704957,0.09093841602967355,0.06371368471241509,9.234204518682008,5.846065214951231,3.8854106816800735,2.8706263646683206,1.7334895175441691,0.8966380477393471,0.5456304961780413,0.3185684235620755,0.7695170432235007,0.5314604740864756,0.35321915288000666,0.2609660331516655,0.19260994639379658,0.12809114967704957,0.09093841602967355,0.06371368471241509,19.04376144921635,36.54187909686818,34.43137254901961,34.879999999999995,22.381208383233552,292.62462155688627,0.5011516170846408,0.9616283972860047,0.9060887512899898,0.9178947368421051,0.5889791679798303,7.700647935707534,4.783100000000005,57.44800000000005,44.71479234430417,69.6646317678348,89.42958468860833,7.452465390717361,44.71479234430417,0.13344897204962203,0.011120747670801836,-2.4168433272588956,79.97706373836631,6.664755311530526,5.2580878683554655,154,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,8.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.9179656399596885,0.0,11.409232016880825,0.0,0.0,0.0,1.006135676492819,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.27866087175611,0.0,1.366055681531872,0.0,0.0,0.0,1.006135676492819,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.319652384101789,0.0,1.4689625850340136,0.0,0.0,0.0,1.006135676492819,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.333333333333336,1.6111111111111114,0.2,2.319652384101789,0.2,1.006135676492819,8.915418651108592,0.32719765684051405,0.31965238410178887,1.8359312799193752,0.32719765684051405,0.31965238410178887,1.8359312799193752,6.0,0.5,0.0,0.0,0.42632,0.7,0.42632,0.42632,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.25,0.08333,0.0,5.5,0.45833,5.5,0.45833,0.0,0.0,-5.5,-0.45833,0.0,0.0,14.65872,1.22156,14.65872,0.0,0.0,5.84606,0.48717,5.84606,0.0,0.0,0.06794,0.00566,0.06794,0.00566,0.0,11.0,0,0,0,0,0,0,1.0,0.8997437586982626,1.2751296141322206,2.2796646839838166,2.9440097497163573,3.356498487629712,3.0723739749420833,34.19026283053398,48.454925337024385,86.62725799138504,111.87237048922158,127.54694252992905,116.75021104779917,0.17144744404212792,0.2429777490001012,0.43439332539255027,0.5609852160066435,0.6395855276261704,0.585445200428474,4.348183754745323,3.972797899311365,2.9682628294597686,2.303917763727228,1.8914290258138733,2.175553538501502,0.1727136602536098,0.24477224857128,0.43760151478169285,0.5651283432423855,0.6443091533893545,0.5897689756113496,6.679290298877863,11.183920564085359,14.652264539059596,17.712508555738218,17.331324888042825,15.050013923983139,47.55009264780696,38.48930501459198,35.802600608003814,28.64916671535915,28.292664526297237,34.22413866762728,12.0,9.090909090909092,7.43801652892562,12,0,10,2.7800000000000002,1.7994000000000008,0.4367902323681495,6.129577967226151,0.9879506340125243,0.0,10.22953086307356,3.514984586463342,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.103,0.084,0.08800000000000005,0.024999999999999994,5.534,11.0,11.0,9.0,7.0,6.0,5.0,4.0,2.0,0.0,78.0,2.4849066497880004,2.4849066497880004,2.4849066497880004,2.302585092994046,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.0986122886681098,0.0,4.3694478524670215,1.0,0.4444444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.7272727272727273,11.0,1.0,1,5.0,9.0,0.8,1.5,0.666666666666667,0.375,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.0,0.0,0.13636363636363635,0.060606060606060635,0.03409090909090909,0.01777777777777778,0.015873015873015876,0.013605442176870748,0.0125,0.012345679012345677,0.0,0.0,0.3031625209006162,44.71479234430417,69.6646317678348,89.42958468860833,7.452465390717361,44.71479234430417,0.13344897204962203,0.011120747670801836,-2.4168433272588956,79.97706373836631,6.664755311530526,5.2580878683554655,0.0,216.10827421120015,4.584962500721156,3.8066624897703196,4.48863636973214,5.187385805840755,5.8888779583328805,6.597145701886651,7.305860032684009,8.01862546504575,8.730851903519232,9.446123703636829,82.47016943044858,3.1354942159291497,0.0,4.204692619390966,0.0,5.4510384535657,0.0,6.774223886357614,0.0,8.135346948906706,8.437933510430605,170.203450832,4.479038179789473,22.66275192227816,1.8885626601898469,0.0,0.0,0.0,258.0,11.0,7.106999999999999,44.0,1.2348918918918919,2.1320551252123674,2.871114224895168,3.568333619353856,4.472049581938365,5.446167046361911,6.93762361901929,8.01389091296695,9.15975434022434,10.173164003848907,74.78950626099996,71.25258254459267,72.90296850349065,83.44350587012059,86.29666538851271,106.89427497417688,135.0758454126785,146.54363686262636,124.7209021110251,51.06346736572687,281.49802323071884,325.9331277762124,348.37076001890796,427.9657388212473,463.3745886456998,569.5016254966858,726.957146864338,812.6125342425419,828.8312105330145,623.3982143635033,8.980981063891896,15.164001553897176,20.115614389084186,25.051459467836672,31.146851989476385,37.94334601231167,48.35628824705571,55.79646984492204,63.637459008802644,69.81380411064139,2.133680728183242,2.7227020531516946,3.038573624892906,3.793015043393895,4.2449420993538665,5.2014435515935045,6.6490634743841115,7.514960364598028,8.04696012788696,6.979474811320047,177.16881441328837,330.1514185948671,467.98831849777287,577.0491336129884,742.3434637307455,903.1788742139042,1148.6625984828286,1331.288953391026,1530.1786655612552,1764.444139124762,2.3840202702702697,3.3739815950272365,4.126950327351558,5.3252025636768145,6.281671418755081,7.636592220607377,9.827373007453476,11.449818439317308,13.558652767957991,13.845221845876848,0.44239682432432437,0.5749874879083883,0.6478145240145713,0.8101113863420455,0.9127283592293842,1.1178247070744856,1.4290273123394297,1.6180830016636643,1.7450058813386642,1.547007153057173,533.1634853318467,351.1144803310365,13.227076890688853,167.8100041872134,-110.51117346843388,-10.19120341682813,365.3534811446333,461.62565379947034,23.41828030751698,0.7606043499557329,0.5008955197035154,0.01886958221453422,0.23939565004426663,-0.15765385584589778,-0.01453864314301007,373.73346879720896,246.12194249831816,9.27183024420309,117.63036421131912,-77.46540289701431,-7.143763421492586,0.045350722947665324,0.0989536641280924,0.6240220486559828,6.4417557381498955,700.9734895190604,0.0,1.0,0.0,682.8972606076492,26.13230301002285,8.80613063078039,934.7601987341276,30.573848281401013,9.7776256140097,1212.3174026861905,34.81834864961563,10.662820865379867,3.0615815867587335,3.0615815867587335,2336.8991244400163,2271.3361964051865,158.94545198298147,1.0288653560571945,14.702522754096995,14.290035783146422,5.90650578261315,6.901696073057126,12.517572780258538,0.8136951624289425,7.251414543337318,10.799175440408002,5.004388215242892,44.28585482932234,19.50830674419628,7.019201186933308,10.484058212455512,14.752666463258278,25.34212578872035,6.72098162563227,4.561702312028636,23.15168988244172,9.870595754290521,18.916812336713814,7.3819415001487165,2.7735040345197897,7.160536530194653,6.94709915194567,8.183331201168297,6.159316865896328,5.226656933094616,0.9562430314063649,0.2829847082769807,2.4509729114244765,1.5611086829557146E-10,2.423946210120688E-42,7.259202141614881E-96,4.19305642628047E-171,4.6714147570249984E-268,0.0,0.6085609622543652,10.435803619063119,0.35981666378104704,12.486719260120116,1.144400537393607,1.0952022073714565,1.0326119722192135,0.6606874464976402,6.559041526654463,1.0470009575139207,0.09618056182886721,2.6835438303629497,0.3219354421276215,4.6226463916048965,0.31837103375473785,0.10327670090714597,1.2366794335373041,0.18183757750268803,2.204558317587313,0.3430400896930634,0.271039530392347,0.007287218846078991,0.023701864876996374,0.01726240261966175,1.0995016098553814E-12,1.7072051352533226E-44,5.112715423412716E-98,2.953203925674797E-173,3.2901156093287036E-270,0.0,1.9645089777708078,10.460089362418588,1.2011777748772698,15.453854475473246,2.406310000714608,1.8679852425659538,2.525168599258724,2.472431250596139,9.112727850267904,1.7530410932199365,0.4960670857794269,5.8290663258023985,1.3729514394382698,6.899040988514653,1.2242718459334547,0.40875848753107724,1.9821783367316226,0.8513456390759047,3.265703141682194,1.221941266785848,0.975609643094455,0.07070404947831585,0.07654353193950111,0.17988754467925333,1.1457654494890148E-11,1.7790393771417576E-43,5.327843663627192E-97,3.0774661837726336E-172,3.428554134167352E-269,0.0,6.844743799689088,10.759281995607775,4.682305730033287,41.09254982625061,17.504420669871163,6.50214322385966,9.750962741651971,13.513299563178558,23.739296378294192,6.21367234006616,4.1073314724849475,21.533393623877807,8.968326498824267,17.814845563022377,6.75992243899638,2.525283217211237,6.633845276556664,6.2812557140505705,7.760977569464797,5.694173429193771,4.814679275571915,0.8520580196801647,0.26708206275729696,2.183772737884322,1.3909197310270787E-10,2.1596924335990107E-42,6.467818416824855E-96,3.735937785946478E-171,4.162146446495333E-268,0.0,2.895324787977987,10.491573007001735,1.8104257437875342,18.53697299730406,4.010881027188698,2.5280621019295526,3.67942276274639,4.032276816056876,11.245913383013747,2.3719653218356553,0.9224877117244153,8.294928389841811,2.361096291229806,8.652144431757563,2.005271434524792,0.6895950157518456,2.6316181191928614,1.5221790571958662,4.041430473027448,1.9168274201616045,1.55042277777522,0.15292211269669825,0.11284246941223719,0.39073978480929655,2.4887556610632753E-11,3.864311254184387E-43,1.157278837917987E-96,6.684667782582116E-172,7.447277725538277E-269,0.0,8.757133271028112,10.966920982303767,6.239771462204831,57.52462925144923,27.926583801591544,9.108938010325922,13.373786551025434,19.769160252361722,31.790963791029093,8.780933340471718,6.449539016353214,29.558227631843618,13.572025258578327,23.254513784743427,9.90026597178059,3.7887828605279403,9.29688883278751,9.698180274486713,9.811083527985522,8.005380278705136,6.875329992199872,1.3943256696450828,0.34189858227832176,3.5745136450233277,2.2767302986414686E-10,3.53509774118365E-42,1.0586864092310275E-95,6.115178727692002E-171,6.81281939621458E-268,0.0,4.656080642260422,9.732881573117757,2.983955960628679,25.119690665895313,8.209742371970348,3.944752908507736,5.902744762335445,7.043407771142386,15.162276729769152,3.7321342006731806,2.0635448226285837,13.164378779157918,4.442212334727972,12.053494158482856,3.606504192383451,1.2647233118065764,4.264233888068289,3.0341062096332845,6.618766013094308,3.483459826398974,3.1643613432086157,0.3690545671242776,0.21780698655986072,0.9442511573145425,6.014259373099303E-11,9.338389679894204E-43,2.79664862530704E-96,1.6153986707667918E-171,1.799688919472175E-268,0.0,14.508548287870374,1.135286448243643,0.7232741895584309,0.8864453920211377,0.06936389642173775,0.5582143439245999,0.41286730259027143,0.4311703864650424,16.367108925672447,27.786140145256642,56.066557363674065,0.8296680880317066,1.4022520329799137,13.070242757141044,0.6601500884643994,0.27459825089424134,0.9332560561504201,0.04713677316291853,0.45290013080115155,0.13862753780264125,0.06229142330338232,14.004991096499685,12.398663771871895,28.772976973662992,0.8998840842256303,0.6538190919071751,13.655980881397149,0.8537614318338294,0.4573500537468582,0.9124003879021008,0.05704257118887691,0.49445377287327535,0.2325974901706159,0.17262843749784007,14.967092366977836,18.29498121720628,38.59429489745412,0.8686005818531511,0.8996797005417313,14.474366748074415,1.1240054480013648,0.712614308350686,0.887399835941644,0.06891094218589003,0.5555832377143175,0.40464683169211285,0.4185758975793074,16.310986504426467,27.38489029510855,55.28958930798081,0.831099753912466,1.3788059669857378,13.910808292193677,0.9379414377851505,0.5368426172711911,0.9041451234524656,0.06096232219182616,0.5131042539595633,0.28107314157299607,0.23775713961646203,15.385592347250018,21.018965198580457,43.409024226762284,0.8562176851786985,1.0319345351490212,14.6151135882244,1.1704533219034794,0.7565068702108555,0.883511570695287,0.07075614203187962,0.5664572583087125,0.439028190346472,0.47162854860311537,16.542073780338736,29.048198067018816,58.5313115619233,0.8252673560429306,1.4771139972582998,14.523979732402136,1.1270523067121914,0.7145239671993311,0.8874724284832693,0.0688673398127987,0.5594052432656108,0.4066833508889306,0.4212287989331169,16.365556006313657,27.55232236339675,55.61412472812567,0.831208642724904,1.3873173930876583 +UMLCN0275,L,n-heptadecane,CCCCCCCCCCCCCCCCC,Alkanes,,C17H36,NREL (2014),Unknown,PubChem,,105,0,-4.2174,17.786462759999996,55.4714,53.92454799999996,0,0,53,17,36,0,17,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2489.0683609999965,2744.0811040000017,2984.366967000003,2839.429501999998,2642.6727729999975,2445.916043999997,2249.1593149999962,2052.4025859999942,1855.6458569999945,8318.802129252092,10906.788617327951,14578.128839743738,15156.601460766084,14149.803115810953,13143.004770855823,12136.206425900695,11129.40808094556,10122.609735990427,370.05347599999993,376.88300800000025,723.9591960000012,1003.7159600000032,940.8310600000032,877.9461600000027,815.0612600000021,752.1763600000015,689.291460000001,63.41736457456406,84.70999515999995,124.66429546182876,138.31802474973188,129.29649589033562,120.27496703093962,111.25343817154365,102.2319093121477,93.21038045275176,8812.539526402965,7541.121415104404,15891.274182910616,23843.11928110865,22364.16412607007,20885.208971031494,19406.253815992914,17927.298660954337,16448.343505915756,77.75,94.5,157.25,196.0,183.75,171.5,159.25,147.0,134.75,46.96355398113201,52.770790461538496,29.25849967647062,19.718260430555542,19.575353874074057,19.41203209523807,19.223583888888857,19.003727648148097,18.74389754545449,156.9585307406055,209.74593494861443,142.9228317621935,105.25417681087558,104.81335641341447,104.30956167345892,103.72826005043329,103.05007482357001,102.24858319182249,6.982141056603773,7.247750153846159,7.0976391764706,6.970249722222245,6.969118962962987,6.967826666666688,6.966335555555574,6.9645959259259405,6.96254000000001,1.1965540485766804,1.6290383684615375,1.2221989751159683,0.9605418385398047,0.9577518214098935,0.9545632304042827,0.9508840869362705,0.9465917528902565,0.9415189944722401,166.2743306868484,145.0215656750847,155.79680571480995,165.5772172299212,165.66047500792644,165.7556267542182,165.86541723070866,165.99350611994757,166.14488389813894,1.4669811320754718,1.8173076923076923,1.5416666666666667,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,0.0749789850238739,-0.004413884623719816,-0.03576119057706558,-9.914503779512047E-5,-2.8176920587703273E-6,-2.4474546654303445E-8,7.15573433840433E-18,-6.7220534694101275E-18,3.7368112076885396E-15,1397.9697643018872,-55.85672754147629,-641.4472808640094,-6.378700367388792,-6.5510976746156935,-6.723494981842595,-6.895892289069469,-7.0682895962963705,-7.240686903523276,2599.584472166116,-103.86797003105838,-1192.7986095464448,-11.861465713425673,-12.182045867842021,-12.502626022258369,-12.823206176674944,-13.143786331091746,-13.464366485508322,0.2738526792452823,-0.010941949448205271,-0.1256551185475286,-0.0012495436098254537,-0.0012833150587395975,-0.0013170865076537414,-0.001350857956567913,-0.0013846294054820569,-0.0014184008543962423,11.621352119388463,-0.46433815349384955,-5.332364767322034,-0.0530262706150451,-0.05445941306410078,-0.05589255551315646,-0.05732569796221214,-0.05875884041126782,-0.0601919828603235,63.12736915718472,-2.522292219378105,-28.965490047059134,-0.28803954357075945,-0.2958243960997091,-0.3036092486286588,-0.31139410115760136,-0.3191789536865297,-0.32696380621545806,4.047169811320753,-0.6406194375222509,-1.6143645425418303,0.022783908864363753,0.021359914560340684,0.019935920256317394,0.01851192595229477,0.017087931648272367,0.01566393734424952,0.0014146978306391303,-8.488239660999646E-5,-3.5059990761829004E-4,-6.885072069105588E-7,-2.087179302792835E-8,-1.9424243376431305E-10,6.116012255046435E-20,-6.224123582787155E-20,3.7745567754429693E-17,26.376788005695985,-1.0741678373360826,-6.288698832000092,-0.04429653032908883,-0.04852664944159773,-0.053361071284465045,-0.058939250333927086,-0.06544712589163305,-0.07313825155074016,49.04876362577578,-1.997460962135738,-11.694104015161225,-0.08237128967656718,-0.09023737679882979,-0.0992271906528442,-0.10960005279209353,-0.12170172528788654,-0.13600370187382144,0.0051670316838732504,-2.104221047731783E-4,-0.0012319129269365548,-8.677386179343429E-6,-9.506037472145167E-6,-1.045306752106144E-5,-1.1545794500580453E-5,-1.2820642643352378E-5,-1.4327281357537802E-5,0.2192707947054427,-0.008929579874881723,-0.05227808595413758,-3.6823799038225764E-4,-4.0340305973407987E-4,-4.4359171042187667E-4,-4.899632304462576E-4,-5.440633371413687E-4,-6.079998268719545E-4,1.1910824369280135,-0.0485056196034251,-0.2839753926182268,-0.002000274608130274,-0.002191291822960808,-0.002409597211338562,-0.0026614880440820627,-0.0029553606822826824,-0.003302664709247051,0.07636169455322175,-0.012319604567735594,-0.015827103358253238,1.5822158933585938E-4,1.5822158933585692E-4,1.5822158933585234E-4,1.5822158933585272E-4,1.5822158933585524E-4,1.5822158933585375E-4,-0.06000037235629916,-0.24782670901523648,-4.8668146087387854E-4,-1.475353434202901E-5,-1.3730312548550277E-7,4.323193350966935E-17,-4.3996134354537244E-17,2.6681010557128692E-14,-0.040723981900454266,-0.23841791618608252,-0.0016793754538847996,-0.001839748244976551,-0.0020230314347956958,-0.002234512038433161,-0.0024812394093435466,-0.002772826302237641,-0.040723981900453975,-0.23841791618608338,-0.0016793754538856505,-0.0018397482449773483,-0.0020230314347964317,-0.002234512038433875,-0.0024812394093442687,-0.0027728263022383237,-0.040723981900464,-0.2384179161860882,-0.0016793754538851186,-0.001839748244976768,-0.002023031434795796,-0.002234512038433182,-0.0024812394093434156,-0.0027728263022374095,-0.040723981900449936,-0.23841791618608088,-0.0016793754538853656,-0.001839748244977135,-0.0020230314347963,-0.002234512038433798,-0.0024812394093442123,-0.0027728263022383385,-0.04072398190047082,-0.23841791618608987,-0.001679375453884865,-0.0018397482449766364,-0.002023031434795804,-0.0022345120384332537,-0.0024812394093435015,-0.0027728263022374303,-0.16133225748610397,-0.20726495726495742,0.002072002072002001,0.0020720020720019685,0.0020720020720019086,0.002072002072001914,0.002072002072001947,0.0020720020720019273,1.5786328754032826,1.4411151774227429,0.9549619245045159,0.9537035541194483,0.952764710745438,0.9516981214772456,0.9504539306031567,0.9489835232064798,1.5588235294117656,1.456939638600539,0.9694535221496012,0.9673686758654085,0.9649859943977597,0.9622367465504725,0.9590292907286377,0.9552386611210147,1.558823529411765,1.4569396386005382,0.9694535221496007,0.967368675865408,0.9649859943977591,0.9622367465504722,0.9590292907286373,0.9552386611210142,1.5588235294117665,1.456939638600542,0.9694535221496029,0.96736867586541,0.964985994397761,0.9622367465504736,0.9590292907286383,0.9552386611210151,1.558823529411763,1.456939638600535,0.9694535221495983,0.9673686758654058,0.9649859943977571,0.9622367465504702,0.9590292907286354,0.9552386611210126,1.5588235294117616,1.4569396386005347,0.9694535221495982,0.9673686758654058,0.964985994397757,0.96223674655047,0.959029290728635,0.955238661121012,1.7296037296037303,1.2596553773024366,0.847643097643098,0.856565656565657,0.8667628667628671,0.8785288785288788,0.8922558922558926,0.9084787266605452,200.00565405001026,100.0028270250051,158.73342281374897,200.00565405001024,11.765038473530014,100.0028270250051,-7.105427357601002E-14,8.326672684688674E-16,4.89804275569922E-17,-59.02722583352923,2000072.8883283122,117651.34637225365,24.664780109441317,200.00565405001026,100.0028270250051,158.73342281374897,200.00565405001024,11.765038473530014,100.0028270250051,-7.105427357601002E-14,8.326672684688674E-16,4.89804275569922E-17,-59.02722583352923,2000072.8883283122,117651.34637225365,24.664780109441317,200.00565405001026,100.0028270250051,158.73342281374897,200.00565405001024,11.765038473530014,100.0028270250051,-7.105427357601002E-14,8.326672684688674E-16,4.89804275569922E-17,-59.02722583352923,2000072.8883283122,117651.34637225365,24.664780109441317,200.00565405001026,100.0028270250051,158.73342281374897,200.00565405001024,11.765038473530014,100.0028270250051,-7.105427357601002E-14,8.326672684688674E-16,4.89804275569922E-17,-59.02722583352923,2000072.8883283122,117651.34637225365,24.664780109441317,200.00565405001026,100.0028270250051,158.73342281374897,200.00565405001024,11.765038473530014,100.0028270250051,-7.105427357601002E-14,8.326672684688674E-16,4.89804275569922E-17,-59.02722583352923,2000072.8883283122,117651.34637225365,24.664780109441317,200.00565405001026,100.0028270250051,158.73342281374897,200.00565405001024,11.765038473530014,100.0028270250051,-7.105427357601002E-14,8.326672684688674E-16,4.89804275569922E-17,-59.02722583352923,2000072.8883283122,117651.34637225365,24.664780109441317,213.5840406802128,106.71849092834168,170.000251310665,213.45428289474563,12.556134287926213,106.71849092834168,-0.14705882352944855,6.106226635438361E-16,3.591898020846095E-17,-59.55448921164575,2000072.6843902466,117651.33437589685,24.66477993610027,0,11.890000000000006,12.11031148931673,-0.17050521138659225,0.05003505322745411,5.117321484852469,7.623141128276404,16.0,52.0,52.0,52.0,16.0,0.0,0.0,0.0,0.0,0.0,39.35545199999999,3.5492857927737873,3.4784764850454075,3.36342766688801,3.2085438924083305,3.0198936440540307,2.8050893769004888,2.5730862362647127,2.3338396364998655,1.95566657355363,1.9057273028776578,1.8248651303728631,1.716844043480397,1.5871770875052262,1.4430279432730606,1.2927268383509605,1.1448346069953304,3.5772129973551903,3.507805211526343,3.3951095725432094,3.2435598857708365,3.059270242767784,2.8499141325553756,2.624511432177505,2.3930532085893548,1.8970759626454248,1.8441811604973324,1.7586286271374292,1.6444358517593745,1.507342717183898,1.354700600422083,1.1950471997971919,1.037262841465548,3.6990014089461067,3.635856438920471,3.5336051312167664,3.3967095073594225,3.2313480462551367,3.0452851453189407,2.847587856417252,2.648080268925899,1.723127601077192,1.6612384265801368,1.5610631635101417,1.4270447019619628,1.2653434277061888,1.0837055785743486,0.8911643285892343,0.6974583667330293,3.5977308800983465,3.5293634417235684,3.418411510551314,3.269326042085344,3.088248457179217,2.882888490935093,2.662301181246457,2.4364854537502905,1.859634698102472,1.8048255263638997,1.7162017903145332,1.5979153267994448,1.4558336864680728,1.2974209920518731,1.131344074318427,0.9666864683455987,3.757756733616222,3.697671251972722,3.600464768274667,3.470536172438116,3.3140012433460133,3.1385609627935223,2.953179807506065,2.7674528049951275,1.6682934757802272,1.6035540552706395,1.4986570680224254,1.3580759210361588,1.1879966566561144,0.9961897027031487,0.7917461145690726,0.5845771782883952,3.6140766568174136,3.560891361812864,3.468696596555462,3.3370520854624424,3.169626004245096,2.97381268364746,2.7597499487320136,2.5391842435315612,1.8203583217084358,1.7545430476941057,1.6496961122763054,1.5127028166784795,1.352352475659546,1.1783836633592237,1.0003528194078912,0.8266826200826896,0,0,0,0,0,2,15,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.606601717798217,8.414213562373096,5.5961940777125605,3.707106781186548,2.4445436482630063,1.603553390593274,1.0454951288348662,0.6767766952966369,0.7415648069293068,0.5258883476483185,0.3730796051808374,0.26479334151332484,0.18804181909715434,0.13362944921610617,0.09504501171226055,0.06767766952966368,12.606601717798217,8.414213562373096,5.5961940777125605,3.707106781186548,2.4445436482630063,1.603553390593274,1.0454951288348662,0.6767766952966369,0.7415648069293068,0.5258883476483185,0.3730796051808374,0.26479334151332484,0.18804181909715434,0.13362944921610617,0.09504501171226055,0.06767766952966368,26.752900468145683,50.98106336489445,48.05882352941172,48.68000000000003,31.373980838323405,407.76589700598805,0.5047717069461449,0.9619068559414048,0.9067702552719192,0.9184905660377364,0.5919619026098756,7.693696169924303,6.877700000000007,80.60300000000008,100.0028270250051,158.73342281374897,200.00565405001024,11.765038473530014,100.0028270250051,8.326672684688674E-16,4.89804275569922E-17,-59.02722583352923,2000072.8883283122,117651.34637225365,24.664780109441317,384,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,15.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.400000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.584346533444987,0.0,21.915653466555014,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2921732667224934,0.0,1.373046875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2921732667224934,0.0,1.4876543209876543,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,26.5,1.5588235294117647,0.2,2.2921732667224934,0.2,1.373046875,12.543782673327751,0.126953125,0.29217326672249355,1.1686930668899742,0.126953125,0.29217326672249355,1.1686930668899742,8.5,0.5,0.0,0.0,0.4283,0.7,0.4283,0.4283,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.11765,0.0,0.0,8.0,0.47059,8.0,0.47059,0.0,0.0,-8.0,-0.47059,0.0,0.0,22.1419,1.30246,22.1419,0.0,0.0,8.41421,0.49495,8.41421,0.0,0.0,-2.1E-4,-1.0E-5,-2.1E-4,-1.0E-5,0.0,16.0,0,0,0,0,0,0,1.0,0.9052002969560479,1.072813681241482,1.6746712242157145,2.0717892190725276,2.230451085200899,2.2937109566543064,47.975615738670534,56.85912510579854,88.75757488343287,109.80482861084396,118.21390751564766,121.56668070267824,0.15803297272309566,0.1872954922736078,0.2923698465263379,0.3617000682022422,0.38939980100875704,0.4004439263514913,4.822720157607152,4.655106773321718,4.053249230347485,3.656131235490672,3.4974693693623005,3.4342094979088933,0.1587948196479188,0.18819840824337764,0.2937793059869113,0.36344375548420604,0.3912770234378072,0.4023743904097074,6.696195799813777,8.707556411238986,11.076530570179887,12.317132385594732,12.89487278555029,13.039018952196972,67.31538884394656,62.170235995151046,59.14866052733163,56.33289699740487,55.65527092424303,55.85860208440955,17.0,16.0,16.0,17,0,17,3.33,2.503900000000001,0.0625,4.670405767737623,0.0,0.0,25.332009090222645,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.08499999999999999,0.064,0.12700000000000003,0.04000000000000001,8.257000000000001,15.0,14.0,13.0,12.0,11.0,10.0,9.0,8.0,7.0,132.0,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,4.890349128221754,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,0.875,16.0,1.0,2,8.0,16.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.03125,0.01481481481481482,0.008928571428571428,0.006153846153846155,0.004629629629629629,0.003710575139146568,0.003125,0.0027434842249657054,0.0025000000000000005,0.0023612750885478157,0.09431910857078861,100.0028270250051,158.73342281374897,200.00565405001024,11.765038473530014,100.0028270250051,8.326672684688674E-16,4.89804275569922E-17,-59.02722583352923,2000072.8883283122,117651.34637225365,24.664780109441317,0.0,302.58819734053435,5.08746284125034,4.143134726391533,4.795790545596741,5.459585514144159,6.124683390894205,6.794586580876499,7.4645098346365275,8.137103389639302,8.80941494391005,9.483492392643639,94.21230131873266,3.4965075614664802,0.0,4.532599493153256,0.0,5.6937321388027,0.0,6.912742820493176,0.0,8.164225652265827,8.507950610049305,240.28170115199998,4.533617002867924,32.828432360734816,1.9310842565138127,0.0,0.0,0.0,816.0,14.0,10.013000000000002,62.0,1.239153846153846,2.140866085319827,2.864103752314352,3.60721735941136,4.9443826168525975,5.963754856585034,7.284955763917071,8.393651241577222,9.69834634419298,10.846277038433254,76.9333635098461,70.09712536896507,69.40470174588506,92.03593032983594,115.05596903428942,137.304403210608,159.24577198074917,180.02982924736912,199.8764665082598,217.91096662039396,286.8755116646464,327.2106760628823,334.1853503406657,449.11223271073044,572.1425680027403,692.6647513238105,814.3716396170466,932.2270359300761,1048.144137258861,1158.2380276303847,9.018011016615391,15.24292961761915,20.020744908202506,25.339778460971534,34.587134289284144,41.75099812816056,50.898123630347875,58.645727111014025,67.672653996485,75.65941415305755,2.164950165636153,2.7459365374807856,2.9380309817145904,3.918310031736044,5.069766693097358,6.151271471408749,7.297306725821106,8.382251364665109,9.490747444149783,10.53523146644491,177.40459828772302,330.1043720201339,470.3647985432192,582.5589613002966,809.6988541277761,973.8489864548264,1197.4003435994841,1379.3050592295035,1600.4342210103534,1791.4123264190819,2.318336538461538,3.3772032188666277,3.998946517162329,5.21309211826554,6.94595089735016,8.433501194729793,10.17272677523583,11.745542565771888,13.477603507153946,15.086707439202694,0.44852538461538427,0.5801779371552476,0.6274536358525632,0.8348770021501032,1.0837311756034398,1.315064491655498,1.562859856457241,1.7960803150185505,2.0363074963423635,2.26202221262284,727.2623368442997,675.2326053888283,18.452477784202408,188.2516276358057,-174.78374797844998,-11.086810435720423,539.0107092084941,850.0163533672783,29.53928821992283,0.7943760172541895,0.7375448453943286,0.020155320945520527,0.20562398274581042,-0.19091325174674395,-0.012109930449849893,665.8188252213909,618.1848795057568,16.89350109069622,172.34699393668907,-160.0169620384424,-10.15012977544581,0.02843286211382873,0.07018719953064308,0.43211829275070446,4.661802340691548,915.5139644801055,0.0,1.0,0.0,993.3051063383991,31.51674326986212,9.97763369995279,1342.0384052827544,36.633842349428136,11.030325151806709,1687.9071949379675,41.08414773289045,11.906465415226783,4.5013961745583915,4.5013961745583915,9157.572818706587,9106.523448008986,107.72956397837697,1.0056058023667378,85.00519709283012,84.53133115656914,7.373452127700619,10.582349022805118,21.159791535562274,0.9995363496292374,10.040419923695497,15.176357051323231,5.373407086808325,70.65619453420382,29.240469785969598,0.14367086000105905,11.51037710171751,9.997565425659452,52.13676943527519,1.4870678901803691,2.1931771880670152,53.05324577667001,5.444687585501242,58.7120601524305,2.70709336035357,0.7670259583271501,25.56824204263128,4.699863635553007,53.165751269694525,4.287087951304395,1.7773619491825148,15.924785854661963,5.278308611307441,40.979674861856346,5.795343493241607,2.7317875159558707,8.295574765069745,4.252101169342484,25.42067412200903,7.251381242345648,0.842622869312926,15.175603898323192,0.38429872059770537,15.242964941839817,0.2105563091154896,0.001349907606885378,1.7485601352778364,0.3447547195348867,13.874961789357224,0.04754372531910794,0.02233733265047256,3.4648994178963237,0.15668084004532923,12.343253185332879,0.11438833788205388,0.07673595848671388,0.9064681410423582,0.08700882770989976,9.636980692080684,0.18627979386415738,0.1892737073638796,0.24090026020023853,0.07090235808914999,6.65629588077099,0.2518138849631131,0.25558459149129664,0.08076250177270887,0.062393396381704366,3.9661952445810282,0.30676767120882836,2.720089338187341,15.17565564291596,1.2844833986751398,19.108463769514913,2.1579374796863804,0.011060291882558769,3.7409493969723693,1.4385999464777095,18.786480561391784,0.2043828431776472,0.17075408948976725,11.685385607469604,0.703630798453802,19.600140534764115,0.4435861387893433,0.20644458199638982,3.71311219912063,0.48344166156091106,16.52897235579239,0.7156617926895011,0.5063771160097422,1.492366531344594,0.47404858996829263,11.900080979774236,0.9674370272789379,0.6728800220168296,0.6644230714260002,0.39543878575846164,7.162899007384403,1.189141804924033,9.47733737881354,15.176274863155827,5.026162661771922,64.62985703342736,26.055908670602005,0.12811609588992312,10.912692893646526,9.096550878691852,48.76900442484865,1.350475737565942,1.9560255592012683,49.34477646586535,4.932598214463194,55.092286708020026,2.477606335223795,0.7208067330495062,23.27050335182879,4.224612250021646,49.79583770499414,3.9271922908625596,1.6776429932212318,14.274802202450472,4.726100821069237,38.25496174635697,5.3088305269584195,2.549011463898748,7.405946845661266,3.810886187299554,23.688877075842196,6.63691171689539,4.008911210899336,15.17572144689629,1.9375276013942397,23.972737346583617,4.675976320466418,0.023468718401384574,5.108723239464354,2.4497411678081566,23.018718339435004,0.3527256575471519,0.36013945845445217,17.893101962656836,1.237188726953096,25.237359592638278,0.7289627315314466,0.2988092997251114,6.301131609567679,0.91744644873799,21.851918561909866,1.170422610470903,0.7261547048542281,2.9304391596842505,0.9467030494658354,16.02305275000652,1.5821879388505642,0.9855139246618886,1.3896689186225337,0.7791050939637111,9.708478136255193,1.9537669030755058,12.125261141211874,15.176702324016532,6.706574445327219,95.95969548729211,42.62942984692054,0.20903170171303442,13.723415326617921,13.685685198522256,65.77035729411763,2.047836102705473,3.189615932423822,67.54784589432082,7.554594241635417,73.00134176113264,3.6371271399990106,0.9426514172524334,34.97040650616614,6.678478789138613,66.44362772007652,5.743207325361958,2.149411891783094,22.817179875620898,7.587909700359962,51.77595363934255,7.7637507795372835,3.4439328343025144,12.028561446915514,6.095461968304507,32.307765926155085,9.7414499322841,6.542298065867767,14.637689712613295,3.192223854644789,37.543433779271204,12.046226236103589,0.059574351161780316,7.557307908466863,4.848608851000685,32.458654425323715,0.7111969266547373,0.9108173054208816,30.64293907627171,2.5573922280023638,37.0395479924224,1.3691887860415282,0.46414256198273784,12.638954922662261,2.0784367261551453,33.21956052410047,2.1820424751239744,1.1050979875655864,6.93657723417996,2.2624740883876653,25.26546679160288,2.9497100944960266,1.5876014830864902,3.4827772296941717,1.836725013653831,15.807487918488496,3.668554740606357,40.123653047569576,0.8122199537569187,0.530567099999999,0.967617498621157,0.01958740494173591,0.5568952953934833,0.6753891737780036,0.6414990595604759,41.46644010132649,54.30845904713767,113.06567326183092,0.9514262479317356,1.8737835287319629,37.78099581533951,0.33043975357545996,0.11787095020438736,0.9882731144088205,0.008643624058683864,0.49376399432037127,0.11178701637631469,0.03166131587792787,38.229306519119355,16.976574071217566,56.677421956183885,0.9824096716132307,0.6372123265746138,38.728327605528634,0.5252636882238519,0.2847584389121791,0.9795130011087229,0.01328491684087423,0.5188360006736262,0.28246298432338085,0.1847858016303677,39.53834973266466,31.520375575327254,76.8514478273184,0.9692695016630842,0.9860847866273749,40.06733094388846,0.8006370068311757,0.5206450700001424,0.9680761934165355,0.019344378765008736,0.5553329500888202,0.6562632815240219,0.6177303114927967,41.388613020719774,53.357093953094996,111.44768214227109,0.9521142901248032,1.8293265431056387,39.14332365212329,0.6106098821323163,0.3578665608575509,0.9758555726570881,0.015222699571807727,0.5300148205821439,0.38171079564995525,0.2918486111363006,40.11180009511316,38.12790371595383,86.79317992851281,0.9637833589856323,1.2035742273683998,40.299449969262504,0.8483735467620175,0.5615365101768046,0.9661967947709306,0.020340123805042302,0.5617859242730874,0.7368532818958766,0.7185738173148939,41.70936002620133,57.29499252154117,118.20271716433793,0.949295192156396,2.017213023483858,40.17552624852762,0.8029858524954783,0.5227016156370482,0.9680566578803369,0.019348490817104214,0.5583361719350528,0.6601195166438879,0.622620013398007,41.501213716660146,53.67991367573551,112.04367971823041,0.9520849868205055,1.8410757019769477 +UMLCN0276,L,n-eicosane,CCCCCCCCCCCCCCCCCCCC,Alkanes,,C20H42,NREL (2014),Unknown,PubChem,,110,0,-5.081399999999999,25.820625959999987,64.2062,63.20530599999994,0,0,62,20,42,0,20,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2927.9571079999964,3249.5159950000034,3565.492578000006,3429.699689,3232.9429599999994,3036.1862309999988,2839.4295019999986,2642.6727729999984,2445.9160439999982,9775.855301085694,12865.759020799056,17318.770174730707,18176.99649563137,17170.198150676297,16163.399805721214,15156.601460766085,14149.803115810955,13143.004770855825,432.9858079999997,442.2103480000004,852.1477200000008,1192.3706600000032,1129.485760000003,1066.6008600000032,1003.7159600000032,940.8310600000032,877.9461600000026,74.4517420036579,99.75796101999991,147.72736589637614,165.38261132792056,156.36108246852436,147.3395536091281,138.31802474973185,129.2964958903356,120.27496703093959,10302.42850681846,8840.239769651802,18663.880779808133,28279.984746224385,26801.02959118581,25322.074436147228,23843.119281108648,22364.16412607007,20885.208971031494,90.5,110.25,185.0,232.75,220.5,208.25,196.0,183.75,171.5,47.225114645161234,53.2707540163935,29.712438150000047,20.05672332748538,19.956438024691355,19.844354450980383,19.718260430555546,19.57535387407406,19.412032095238082,157.67508550138217,210.91408230818124,144.32308478942255,106.2982251206513,105.98887747331048,105.64313598510597,105.25417681087559,104.81335641341448,104.30956167345893,6.983642064516124,7.249349967213122,7.101231000000007,6.972927836257329,6.9721343209876725,6.971247450980413,6.970249722222245,6.969118962962987,6.967826666666687,1.2008345484460952,1.635376410163933,1.2310613824698011,0.9671497738474887,0.9651918670896565,0.9630036183603145,0.9605418385398045,0.9577518214098932,0.9545632304042825,166.1682017228784,144.92196343691478,155.53233983173445,165.38002775569817,165.43845426657907,165.5037544846224,165.57721722992116,165.66047500792644,165.7556267542182,1.4596774193548387,1.8073770491803278,1.5416666666666667,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,0.08752304954349423,-0.004413884623719807,-0.04203322283687573,-9.914503779509987E-5,-2.817692058737801E-6,-2.4474546643461423E-8,1.6263032587282567E-17,2.3201926491189795E-17,2.3201926491189795E-17,1640.2491541935458,-55.556826190423784,-761.1663125681582,-5.417105501564128,-5.543084699274322,-5.669063896984516,-5.795043094694938,-5.921022292405359,-6.047001490115781,3050.113343370109,-103.310290662548,-1415.421261186054,-10.073338998845205,-10.307602696491589,-10.5418663941382,-10.776130091785266,-11.010393789432346,-11.244657487079184,0.3213135483870959,-0.010883200832480958,-0.14910725494278085,-0.0010611737773141743,-0.0010858522372516515,-0.0011105306971891842,-0.0011352091571267169,-0.0011598876170642218,-0.0011845660770017545,13.635425794728427,-0.4618450672407665,-6.327591601516765,-0.04503251222528347,-0.04607977995145872,-0.047127047677630415,-0.048174315403801224,-0.049221583129971144,-0.050268850856141065,74.06784932737338,-2.5087497352833656,-34.37157800583773,-0.24461732112723356,-0.2503060960371539,-0.2559948709470743,-0.26168364585699466,-0.26737242076691503,-0.2730611956768354,4.548387096774191,-0.636316337148805,-1.867845993756505,0.019771071800206264,0.018730489073880252,0.017689906347553797,0.016649323621226897,0.015608740894899775,0.014568158168572876,0.0014116620894111971,-7.235876432327552E-5,-3.502768569739644E-4,-5.797955426614028E-7,-1.739316085640618E-8,-1.5996435714680668E-10,1.1293772630057339E-19,1.7186612215696145E-19,1.8414227373960154E-19,26.455631519250737,-0.9107676424659636,-6.343052604734652,-0.031678979541310694,-0.03421657221774273,-0.037052705209049124,-0.040243354824270404,-0.043859424388187844,-0.047992075318379214,49.1953765059695,-1.6936113223368525,-11.79517717655045,-0.058908415197925175,-0.06362717713883696,-0.06890108754338693,-0.0748342367485088,-0.08155847251431367,-0.08924331338951734,0.005182476586888644,-1.7841312840132718E-4,-0.001242560457856507,-6.205694604176458E-6,-6.7027915879731575E-6,-7.258370569863949E-6,-7.88339692449109E-6,-8.591760126401643E-6,-9.401318071442496E-6,0.2199262224956198,-0.007571230610504369,-0.05272993001263971,-2.6334802470926003E-4,-2.8444308612011554E-4,-3.080199194616367E-4,-3.345438569708418E-4,-3.6460431948126776E-4,-3.9895913377889736E-4,1.1946427310866674,-0.04112704484071091,-0.2864298167153144,-0.0014305106498668629,-0.0015450993582540365,-0.0016731690911573483,-0.001817247540673574,-0.0019805364501252966,-0.002167152346641551,0.07336108220603535,-0.010431415363095163,-0.01556538328130421,1.1562030292518283E-4,1.1562030292518675E-4,1.1562030292518821E-4,1.1562030292518679E-4,1.1562030292518352E-4,1.1562030292518156E-4,-0.05125785049130014,-0.24813080949143043,-4.1071836313408044E-4,-1.2321051182766304E-5,-1.1331632289815735E-7,8.000337130798745E-17,1.2174735260379956E-16,1.3044359207549953E-16,-0.03442622950819501,-0.23976190476190518,-0.001197438039544024,-0.0012933568489130434,-0.0014005602240901832,-0.001521164021164525,-0.0016578483245154455,-0.0018140589569164978,-0.03442622950820074,-0.23976190476190767,-0.0011974380395437581,-0.0012933568489127483,-0.0014005602240898857,-0.001521164021164229,-0.0016578483245151532,-0.0018140589569161712,-0.03442622950824356,-0.23976190476192613,-0.0011974380395420397,-0.0012933568489109665,-0.0014005602240880727,-0.0015211640211623173,-0.0016578483245130876,-0.0018140589569140108,-0.03442622950819411,-0.2397619047619022,-0.0011974380395430339,-0.0012933568489122789,-0.0014005602240895645,-0.0015211640211639829,-0.0016578483245149607,-0.001814058956916078,-0.03442622950821544,-0.23976190476191403,-0.0011974380395431243,-0.0012933568489121327,-0.0014005602240892599,-0.0015211640211635277,-0.001657848324514365,-0.0018140589569153216,-0.14219276828275823,-0.2121749408983454,0.0015760441292354715,0.001576044129235525,0.001576044129235545,0.0015760441292355255,0.001576044129235481,0.0015760441292354541,1.567362977158571,1.4495765400601721,0.9615383054372325,0.9605873187075752,0.9599376692043868,0.9592204425007596,0.9584077168339917,0.9574788875005422,1.5500000000000038,1.463273809523813,0.9741993873572843,0.9727366255144057,0.9711017740429528,0.9692625661375686,0.9671781305114663,0.9647959183673493,1.5500000000000014,1.4632738095238107,0.9741993873572827,0.972736625514404,0.9711017740429512,0.9692625661375669,0.9671781305114646,0.9647959183673477,1.5500000000000016,1.4632738095238143,0.9741993873572851,0.9727366255144061,0.9711017740429531,0.9692625661375686,0.9671781305114661,0.9647959183673489,1.5499999999999945,1.4632738095238047,0.9741993873572786,0.9727366255143995,0.9711017740429466,0.9692625661375619,0.9671781305114597,0.964795918367343,1.5500000000000012,1.46327380952381,0.9741993873572824,0.9727366255144037,0.971101774042951,0.9692625661375666,0.9671781305114644,0.9647959183673476,1.703900709219859,1.28525413711584,0.8627182613744769,0.8692540057788289,0.8765586612895755,0.8847763987391652,0.8940898345153669,0.9047337611167403,277.13022897465623,138.56511448732817,219.78893388612238,277.13022897465635,13.856511448732817,138.56511448732817,1.4210854715202004E-13,1.6653345369377348E-16,8.326672684688674E-18,-72.66267092313788,170.27482721313402,8.5137413606567,10.274827524750096,277.13022897465623,138.56511448732817,219.78893388612238,277.13022897465635,13.856511448732817,138.56511448732817,1.4210854715202004E-13,1.6653345369377348E-16,8.326672684688674E-18,-72.66267092313788,170.27482721313402,8.5137413606567,10.274827524750096,277.13022897465623,138.56511448732817,219.78893388612238,277.13022897465635,13.856511448732817,138.56511448732817,1.4210854715202004E-13,1.6653345369377348E-16,8.326672684688674E-18,-72.66267092313788,170.27482721313402,8.5137413606567,10.274827524750096,277.13022897465623,138.56511448732817,219.78893388612238,277.13022897465635,13.856511448732817,138.56511448732817,1.4210854715202004E-13,1.6653345369377348E-16,8.326672684688674E-18,-72.66267092313788,170.27482721313402,8.5137413606567,10.274827524750096,277.13022897465623,138.56511448732817,219.78893388612238,277.13022897465635,13.856511448732817,138.56511448732817,1.4210854715202004E-13,1.6653345369377348E-16,8.326672684688674E-18,-72.66267092313788,170.27482721313402,8.5137413606567,10.274827524750096,277.13022897465623,138.56511448732817,219.78893388612238,277.13022897465635,13.856511448732817,138.56511448732817,1.4210854715202004E-13,1.6653345369377348E-16,8.326672684688674E-18,-72.66267092313788,170.27482721313402,8.5137413606567,10.274827524750096,293.4727087664198,146.6613543832099,233.2674086558249,293.33770876641984,14.666885438320989,146.6613543832099,-0.1500000000000341,2.220446049250313E-16,1.1102230246251566E-17,-72.0873067782343,169.940510941661,8.49702554708305,10.270896880342422,0,11.889999999999995,12.11038549882426,-0.17050522986795474,0.05011607704125824,5.117354538417934,7.637546903938081,19.0,61.0,61.0,61.0,19.0,0.0,0.0,0.0,0.0,0.0,45.91469399999999,3.5553966417967544,3.502524746095588,3.4160617113012735,3.2984735028373366,3.1531719712436304,2.9844682186645213,2.7975003488488017,2.598120287117176,1.9597910240694496,1.9219476781356581,1.8602736714639962,1.7769485496080635,1.6751309792982183,1.558951178724,1.4333732124501046,1.3038812679826204,3.5831905174027705,3.531319049361779,3.446536362590764,3.331329191994694,3.1891405099822534,3.0243233005916035,2.8420658515235293,2.64827012659524,1.9014836105671125,1.8614931602928564,1.7963604519342633,1.7084032560998281,1.600915187785106,1.4781420292256582,1.3451572378804288,1.207586593849859,3.7043843749715575,3.656997998835789,3.5797126156683943,3.4750552121148526,3.346535243900331,3.1985981400559638,3.0365328168368166,2.866299884091535,1.7283913945675373,1.681907288326127,1.6061207098321488,1.5035534751150699,1.3777111907234598,1.2330371408402512,1.0748157481752016,0.9089893420843231,3.6036095298902824,3.5524814456972402,3.46894585240611,3.355502630845054,3.215614595597317,3.053661351782097,2.874862274525062,2.6851477659228857,1.8642251614850087,1.8228477070984392,1.7554619809768104,1.6644557333024095,1.5531940986709112,1.4259875964967426,1.287974077933336,1.1448653163385343,3.7628492794935053,3.7176628866290162,3.6440251149147618,3.544441155775279,3.422400031373987,3.2823298817209943,3.1294957338293,2.9697994051816803,1.6738277276371514,1.6252972009157223,1.546106105897203,1.438780965890976,1.3068273061799849,1.1546831248538265,0.9876315245357858,0.8116429969174903,3.6231904908946704,3.582721493643509,3.513214722266756,3.414023423930359,3.286627725253081,3.134647683006054,2.9634520663669175,2.7796914405786906,1.821206051357971,1.7723343213725293,1.6934864013987567,1.5884377601358226,1.4621808949044746,1.3205796979718563,1.1698986596954581,1.0162735880096587,0,0,0,0,0,2,18,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.72792206135786,9.914213562373096,6.656854249492382,4.457106781186548,2.9748737341529172,1.978553390593274,1.3106601717798216,0.864276695296637,0.736396103067893,0.5218007138091103,0.3698252360829101,0.2621827518345028,0.18592960838455733,0.13190355937288492,0.09361858369855869,0.06648282271512593,14.72792206135786,9.914213562373096,6.656854249492382,4.457106781186548,2.9748737341529172,1.978553390593274,1.3106601717798216,0.864276695296637,0.736396103067893,0.5218007138091103,0.3698252360829101,0.2621827518345028,0.18592960838455733,0.13190355937288492,0.09361858369855869,0.06648282271512593,31.378383879503296,59.64457392571022,56.23529411764698,56.96000000000006,36.769644311377306,476.85066227544917,0.5061029657984403,0.9620092568662939,0.9070208728652739,0.9187096774193557,0.593058779215763,7.691139714120148,8.048000000000007,94.4540000000001,138.56511448732817,219.78893388612238,277.13022897465635,13.856511448732817,138.56511448732817,1.6653345369377348E-16,8.326672684688674E-18,-72.66267092313788,170.27482721313402,8.5137413606567,10.274827524750096,542,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,18.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.000000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.593663243913023,0.0,26.40633675608698,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2968316219565117,0.0,1.3736149584487536,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2968316219565117,0.0,1.4908677685950413,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,31.0,1.55,0.2,2.2968316219565117,0.2,1.3736149584487536,14.71231683780435,0.12638504155124652,0.2968316219565117,1.1873264878260466,0.12638504155124652,0.2968316219565117,1.1873264878260466,10.0,0.5,0.0,0.0,0.42903,0.7,0.42903,0.42903,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.1,0.0,0.0,9.5,0.475,9.5,0.475,0.0,0.0,-9.5,-0.475,0.0,0.0,27.45143,1.37257,27.45143,0.0,0.0,9.91421,0.49571,9.91421,0.0,0.0,-2.1E-4,-1.0E-5,-2.1E-4,-1.0E-5,0.0,19.0,0,0,0,0,0,0,1.0,0.9071657675730821,1.0584546687309146,1.6053725191570336,1.97334560211053,2.1420262494277247,2.235464860790297,56.24427758953109,65.6241894613167,99.53309618773608,122.34742733085287,132.80562746451892,138.59882136899841,0.15235738297552684,0.17776616919473742,0.2696203543636142,0.33142098433471223,0.3597506930853185,0.3754435937711041,5.047030542813793,4.895741641655961,4.348823791229842,3.980850708276346,3.812170060959151,3.7187314495965786,0.1529600310955371,0.1784693215170889,0.2706868350060379,0.33273191675715574,0.36117368339025885,0.3769286571893462,6.702063665338736,8.517530479232727,10.674764528682509,11.878368425439053,12.540117052636068,12.86654865587188,79.17093669257332,73.84965312545533,70.59927401924081,67.49750983664458,66.44017478797663,66.2161250223183,20.0,19.0,19.058823529411764,20,0,20,3.66,2.9265999999999988,0.05263157894736841,4.766201994773914,0.0,0.0,31.58949783389692,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.08499999999999999,0.064,0.12700000000000003,0.04000000000000001,9.754,18.0,17.0,16.0,15.0,14.0,13.0,12.0,11.0,10.0,165.0,2.995732273553991,2.9444389791664403,2.8903717578961645,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,5.111987788356544,1.0,0.47368421052631576,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.0,0.8947368421052632,19.0,1.0,2,10.0,19.0,0.9,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.02631578947368421,0.012345679012345685,0.007352941176470588,0.005000000000000001,0.0037037037037037034,0.002915451895043732,0.002403846153846154,0.002057613168724279,0.0018181818181818186,0.001652892561983471,0.07964810628780432,138.56511448732817,219.78893388612238,277.13022897465635,13.856511448732817,138.56511448732817,1.6653345369377348E-16,8.326672684688674E-18,-72.66267092313788,170.27482721313402,8.5137413606567,10.274827524750096,0.0,354.4761512181353,5.321928094887363,4.31748811353631,4.976733742420574,5.645446897643238,6.315358001522335,6.98933526597456,7.663407664893479,8.339739766019143,9.015905747298426,9.69356866855007,101.95698386785817,3.6635616461296463,0.0,4.709530201312334,0.0,5.877735781779639,0.0,7.102499355774649,0.0,8.359134886757962,8.700680734850161,282.3286513440007,4.553687924903238,38.82842777924476,1.941421388962238,0.0,0.0,0.0,1330.0,17.0,11.720000000000004,74.0,1.2407049180327867,2.1438766499226105,2.866260702172874,3.610271711847451,4.947419941705068,5.967673860786588,7.2890823048832365,8.398865477712942,9.704117210178943,10.853638941431965,77.71358696762294,71.21996167167897,70.66068112270831,93.89871096135377,117.71308349996022,140.94194301766873,164.168557141602,186.59784632119198,208.6518825059496,229.64046491154463,288.8325648324036,330.71747884944955,337.92617345915085,454.7838294131771,580.1531405097882,703.7396314494342,829.304358971364,952.2586903676865,1074.8588583675344,1194.0679281400567,9.031487491213124,15.271758528277104,20.043936616927468,25.374007048929045,34.626835885792815,41.804470674229485,50.962449674631316,58.730329308743464,67.77756573796036,75.79811433485763,2.1763301904140984,2.7687624030587488,2.9616952596235753,3.954512562776543,5.120456110522296,6.221617255951351,7.391803330692917,8.509271236639186,9.659803925986754,10.76225607120326,177.49040815677955,330.0296640242253,470.1324748202982,582.1222164904327,808.8529488021982,972.5875664514507,1195.4862946816286,1376.6375878362649,1596.656529182036,1786.2300848287414,2.3090286885245894,3.38074624450938,4.0015739794538545,5.2166133991139345,6.949563040965341,8.438030053772593,10.177597501169158,11.75158142416109,13.484392734064741,15.095245528693871,0.4507557786885241,0.5847443657659309,0.6321590632330091,0.8420856264197789,1.0938021595905953,1.32904855221515,1.5816262280941966,1.8213127898995611,2.0698721669199727,2.307103864986646,823.2941483801508,894.7975938056543,20.985720992097722,199.415898903883,-216.73525416992766,-11.675914782310834,623.8782494762678,1111.532847975582,32.66163577440855,0.8050122814052104,0.8749279389421556,0.020519717243248543,0.19498771859478944,-0.21192248452579687,-0.011416642295945021,841.9911974185324,915.1184894706204,21.4623077081178,203.9446433971783,-221.6573220402438,-11.941075359101461,0.024289194248318133,0.05995845639177154,0.36914346184546354,3.9824138050896196,1022.7100472840339,0.0,1.0,0.0,1179.5498137768493,34.34457473571116,10.565874035329111,1586.4053292119308,39.82970410650738,11.662850805466613,2037.2501602171014,45.13590765916978,12.676950276569531,5.270794651383241,5.270794651383241,14830.029814940526,14770.242720672966,126.45498680487617,1.0040478071618877,117.27516794433505,116.8023744564846,8.206412775230971,13.061375644960508,24.88207201057325,0.9050115919584275,11.713823244311868,18.021908974453073,6.262404606188968,85.57482782654469,35.16501873201767,0.14371778170312458,13.893316325650407,10.411647844076123,65.22996505430183,1.5795031456288946,2.194395420518221,66.70092436211036,5.7763033402997825,76.60716998767987,2.7072979024491564,0.7731475172338944,34.71342720938012,4.699896599084578,73.59951632689362,4.287089799367052,1.7956197646079517,23.77062224303932,5.2783086709432165,62.43383331327453,5.795343537518889,2.775556240823181,14.475375809995638,4.252101338419379,46.2454837191098,7.251381244275718,0.9830600141988554,18.021029505393027,0.4506495169214276,18.2831427395165,0.2527553415181873,0.0013964453315253769,2.1162373366492266,0.3476722023232779,17.111818251397693,0.0481948363860811,0.0235555607577169,4.401989077770148,0.1590164386625055,15.792161077096525,0.11438977932221676,0.08285292323081334,1.2124030457647754,0.08700906554094218,12.969853236201875,0.18627980691551238,0.20734072632338785,0.3510970004047341,0.07090237636828513,9.665208520185107,0.2518138852777615,0.29727239484550866,0.13756922751602998,0.06239345212349954,6.546808657383203,0.3067676712227287,3.1734375612190093,18.02108992691132,1.5041123689937708,22.9520786317869,2.5939783828162004,0.011106855265297035,4.5199390585806265,1.4689939922998245,23.27030309603139,0.21116727863257423,0.17197231848371475,14.810052634652395,0.7279695202791842,25.261875368280528,0.4436011531620385,0.2125624842921675,4.995934783738852,0.48344408619268564,22.498298190297408,0.7156619284172444,0.5244829810722681,2.206659158274478,0.4740486111040725,17.616654659116165,0.9674370305357654,0.7149883466276202,1.1512037680542058,0.39543884977100663,12.284929892227476,1.1891418050664617,11.056893608616251,18.02181300146125,5.8596186391932195,78.24776977242482,31.3349000840421,0.12816297543461863,13.17224313044043,9.465491592570604,60.98819764747174,1.432833942472064,1.9572437913865428,62.07036538625327,5.228061881921845,71.84265537766568,2.4777885791219454,0.7269280106288948,31.581852160174513,4.224641620559564,68.88050949211734,3.927193937477321,1.695889093015691,21.30217632052296,4.7261008761973535,58.20583994356552,5.308830566410583,2.592651296557878,12.920863359983567,3.810886344179989,42.978421132773946,6.636911718615252,4.677063079383006,18.021166766714433,2.266724615286426,28.849257060415006,5.621954069077682,0.023515315051226733,6.170079515142866,2.51575847314302,28.585665427731442,0.36746215614511973,0.3613576880570911,22.64029667273463,1.2900556810028039,32.63664979388499,0.7289953427052399,0.30492784568452097,8.500226697496462,0.9174517086676932,29.884717614500218,1.170422905203062,0.7442872660991919,4.348896550066829,0.946703074220951,23.912316836732987,1.5821879459179917,1.0279121826347142,2.4150465851194225,0.7791051680671062,16.926254402744195,1.9537669033841385,14.14613799808098,18.022312157563235,7.80709845433723,116.34551179255713,51.26828831716627,0.20907880068116225,16.563226701133168,14.289582012625592,82.40684134044147,2.18264396809746,3.1908341658596497,84.77305928839502,8.03822465343353,95.43052646746565,3.6374254427057555,0.948774017874056,47.53525556685543,6.678526860722786,92.21559070631211,5.743210020473016,2.167713124892884,34.08501256922014,7.587909778928976,79.22081690096933,7.763750844102521,3.4881804917805654,20.9994483769329,6.0954621885096465,59.291999279973,9.741449935097958,7.6617841942954525,17.469680159051627,3.7613657920627412,45.7325984609779,14.651036188783264,0.060298289691598526,9.18846636815508,5.076326041885459,40.71188228981065,0.7577919262244686,0.9223575605794242,38.899771611198624,2.7246209735184213,48.31674418403993,1.384906782120291,0.4751733821422387,17.23172140773739,2.1021812190609452,45.76821318086028,2.206956943368535,1.1347492992187733,10.426597623772931,2.288306158000952,37.9496574909931,2.98338873745438,1.6460037910285528,6.1295261457719015,1.8576961141172161,27.695733104314503,3.7104408501080792,54.94508005644155,0.8150673048667363,0.533469875806452,0.9760445811291002,0.01447885825907377,0.5565033209909485,0.6896341174443275,0.6451522405078768,56.29361723711474,74.53029720507747,154.71479645444117,0.9640668716936502,1.8912896789431528,52.19721615397884,0.3297449781352779,0.11799336541570543,0.9914951328607949,0.006263562791202526,0.5022527796353772,0.11288558150911189,0.03156149636105399,52.64495449752983,23.40960281845423,78.0854319711769,0.9872426992911923,0.646699857505543,53.30543610875322,0.5255328697125492,0.2855632457499261,0.9850120456332653,0.009711133513418055,0.5237965686320417,0.28678781578934365,0.18486173634404823,54.116532224215696,43.38590503286629,105.50213714838183,0.9775180684498979,0.9954461207654336,54.87872595141248,0.8033533496336851,0.5234378383822591,0.9763939332730525,0.014293140433897534,0.5551604438131154,0.669970166818904,0.6211158849252115,56.205517139428416,73.23311554266539,152.51544101612598,0.9645908999095787,1.8462464955572306,53.79218073524337,0.6115009927031174,0.3591589738468834,0.9822752078944251,0.011166349021830271,0.5334022537932454,0.3882808808633204,0.2924259119159808,54.76284070179337,52.43354242216853,119.01054832423398,0.9734128118416376,1.2141090465725464,55.15228192624303,0.851644467464574,0.5647963922851985,0.974960706376413,0.015055041470292008,0.5607071499147848,0.7528581174261536,0.7231464135342784,56.5687227859928,78.60095135150316,161.69823736583797,0.9624410595646196,2.036711680875217,55.01132567442889,0.8057821535249872,0.52560053339815,0.9763699203385049,0.014301445155194369,0.5578453897708212,0.6739845815436152,0.6262590334043306,56.342708361352024,73.66464611732033,153.30572525622935,0.9645548805077573,1.8580890047187668 +UMLCN0277,L,2-methylpentane,CCCC(C)C,Alkanes,,C6H14,NREL (2014),IQT,PubChem,,34.5,0,0.5917999999999999,0.3502272399999999,27.529899999999998,19.895101999999994,0,0,20,6,14,0,6,0,0,0,0,0.0,0.0,0.0,0.0,0.0,879.8096220000002,890.8198369999998,974.6390689999997,741.651627,487.49333000000047,160.52601600000003,18.289152,0.0,0.0,2976.2738325290047,3723.8971379339105,4754.238024897251,4583.736897897179,3354.775021182904,1843.095562910177,559.5073997567447,0.0,0.0,139.30159199999997,137.349428,253.9583240000002,314.3770680000001,309.5633360000001,186.1885440000001,120.93235199999997,0.0,0.0,22.95798066788598,29.53412034000001,41.10612815333904,43.09479572728207,34.061194580620985,20.03172529273499,8.003032287282004,0.0,0.0,3349.6132648794865,2777.687448430601,5730.51690697474,7383.841949816084,7759.916288863822,4611.235352918536,3328.517736436482,0.0,0.0,32.27777777777778,37.91666666666667,56.66666666666667,68.33333333333333,60.0,39.0,18.0,0.0,0.0,43.99048110000001,46.885254578947354,27.073307472222215,16.481147266666667,10.833185111111122,5.945408000000001,1.016064,0.0,0.0,148.81369162645024,195.99458620704792,132.06216735825697,101.86081995327065,74.55055602628676,68.26279862630285,31.08374443093026,0.0,0.0,6.965079599999998,7.228917263157894,7.054397888888895,6.986157066666669,6.879185244444447,6.895872000000003,6.718463999999998,0.0,0.0,1.147899033394299,1.5544273863157898,1.1418368931483067,0.9576621272729349,0.7569154351249108,0.7419157515827774,0.4446129048490002,0.0,0.0,167.48066324397433,146.19407623318952,159.18102519374278,164.08537666257965,172.44258419697383,170.78649455253836,184.917652024249,0.0,0.0,1.613888888888889,1.9956140350877196,1.5740740740740742,1.5185185185185184,1.3333333333333333,1.4444444444444444,1.0,0.0,0.0,0.028295987273042496,-0.005572289483412516,-0.0045791851896091,-0.011415773961577003,0.006231682345703733,-0.008364609556701149,0.009552182209074786,0.0,0.0,508.47723779999967,-59.322344409999474,-92.01016683999958,-236.07871754999996,78.69290584999965,-141.6472305300001,196.12693457999958,0.0,0.0,945.5351364447346,-110.31243258521903,-171.09683421380905,-438.99845620648443,146.3328187354948,-263.39907372389024,364.7064097715407,0.0,0.0,0.09960719999999997,-0.011620839999997915,-0.018024159999998603,-0.04624619999999942,0.015415399999998488,-0.02774772000000067,0.038419919999998164,0.0,0.0,4.226981996365799,-0.4931478995760045,-0.7648824564852373,-1.9625273554555513,0.6541757851518447,-1.1775164132733336,1.6304073414553746,0.0,0.0,22.961033291485773,-2.678787217339912,-4.154853643221175,-10.660479742475523,3.553493247491776,-6.396287845485359,8.856398555287289,0.0,0.0,2.67222222222222,-1.2802777777777767,0.45666666666666694,-1.3208333333333326,1.2958333333333334,-1.332499999999999,0.8449999999999995,0.0,0.0,0.001414799363652125,-2.932783938638166E-4,-1.2719958860025278E-4,-2.536838658128223E-4,1.384818299045274E-4,-3.0980035395189443E-4,5.306767893930437E-4,0.0,0.0,25.423861889999984,-3.122228653157867,-2.5558379677777663,-5.246193723333333,1.7487312411111033,-5.246193723333336,10.895940809999978,0.0,0.0,47.27675682223673,-5.805917504485212,-4.752689839272474,-9.755521249032988,3.2518404163443293,-9.755521249032972,20.26146720953004,0.0,0.0,0.004980359999999998,-6.116231578946271E-4,-5.006711111110723E-4,-0.0010276933333333205,3.4256444444441086E-4,-0.0010276933333333582,0.002134439999999898,0.0,0.0,0.21134909981828995,-0.025955152609263395,-0.021246734902367705,-0.04361171901012336,0.014537239670040994,-0.043611719010123465,0.0905781856364097,0.0,0.0,1.1480516645742886,-0.14098880091262694,-0.1154126012005882,-0.2368995498327894,0.07896651661092835,-0.23689954983279107,0.49202214196040495,0.0,0.0,0.133611111111111,-0.06738304093567246,0.012685185185185193,-0.029351851851851837,0.0287962962962963,-0.04935185185185181,0.04694444444444442,0.0,0.0,-0.20729327521519073,-0.08990645024882057,-0.17930730839316297,0.09788089637463092,-0.21897122794300963,0.37508978518563146,0.0,0.0,-0.12280701754385864,-0.10052910052910015,-0.20634920634920645,0.06878306878306852,-0.2063492063492066,0.428571428571428,0.0,0.0,-0.12280701754385964,-0.1005291005291005,-0.20634920634920662,0.06878306878306888,-0.20634920634920628,0.4285714285714288,0.0,0.0,-0.12280701754383767,-0.10052910052909278,-0.20634920634920384,0.06878306878306206,-0.20634920634921142,0.4285714285714083,0.0,0.0,-0.12280701754385831,-0.1005291005291002,-0.20634920634920653,0.06878306878306824,-0.20634920634920703,0.4285714285714272,0.0,0.0,-0.1228070175438553,-0.10052910052909908,-0.2063492063492061,0.06878306878306743,-0.20634920634920753,0.42857142857142466,0.0,0.0,-0.5043221359010833,0.0949410949410951,-0.21968121968121979,0.21552321552321574,-0.3693693693693694,0.3513513513513515,0.0,0.0,1.7493598782686517,1.1547579712867027,1.1947857974231948,0.6870953304510625,1.1298474284097275,1.9112509444716395E-5,0.0,0.0,1.6666666666666685,1.2566137566137583,1.2063492063492078,0.7037037037037045,1.0052910052910062,0.0,0.0,0.0,1.6666666666666674,1.256613756613757,1.2063492063492067,0.7037037037037042,1.005291005291006,0.0,0.0,0.0,1.666666666666665,1.2566137566137554,1.206349206349205,0.7037037037037029,1.0052910052910045,0.0,0.0,0.0,1.6666666666666674,1.2566137566137572,1.206349206349207,0.703703703703704,1.0052910052910058,0.0,0.0,0.0,1.666666666666667,1.2566137566137574,1.206349206349207,0.7037037037037038,1.0052910052910053,0.0,0.0,0.0,2.110187110187112,0.7571032571032574,1.2376992376992388,0.5398475398475404,1.5800415800415815,0.0,0.0,0.0,22.117569738984322,11.058784869492166,17.230479752186845,22.11756973898433,3.6862616231640555,11.058823127746622,8.881784197001252E-15,0.07612893545072408,0.012688155908454013,-1.5451961142421688,21.33947531369421,3.5565792189490346,1.8363351951505154,22.117569738984322,11.058784869492166,17.230479752186845,22.11756973898433,3.6862616231640555,11.058823127746622,8.881784197001252E-15,0.07612893545072408,0.012688155908454013,-1.5451961142421688,21.33947531369421,3.5565792189490346,1.8363351951505154,22.117569738984322,11.058784869492166,17.230479752186845,22.11756973898433,3.6862616231640555,11.058823127746622,8.881784197001252E-15,0.07612893545072408,0.012688155908454013,-1.5451961142421688,21.33947531369421,3.5565792189490346,1.8363351951505154,22.117569738984322,11.058784869492166,17.230479752186845,22.11756973898433,3.6862616231640555,11.058823127746622,8.881784197001252E-15,0.07612893545072408,0.012688155908454013,-1.5451961142421688,21.33947531369421,3.5565792189490346,1.8363351951505154,22.117569738984322,11.058784869492166,17.230479752186845,22.11756973898433,3.6862616231640555,11.058823127746622,8.881784197001252E-15,0.07612893545072408,0.012688155908454013,-1.5451961142421688,21.33947531369421,3.5565792189490346,1.8363351951505154,22.117569738984322,11.058784869492166,17.230479752186845,22.11756973898433,3.6862616231640555,11.058823127746622,8.881784197001252E-15,0.07612893545072408,0.012688155908454013,-1.5451961142421688,21.33947531369421,3.5565792189490346,1.8363351951505154,27.621780829772057,13.725242266737885,21.856893704060298,27.507583298907868,4.584597216484644,13.72524459019594,-0.17129629629628873,0.06357936418994808,0.01059656069832468,-1.6532797942245487,17.676469646381076,2.946078274396846,1.7233406139816667,0,11.889999999999997,12.110074714184956,-0.16472489014052252,0.055946927028347,5.126994186011899,7.334600782521868,5.0,19.0,19.0,19.0,5.0,0.0,0.0,0.0,0.0,0.0,15.304897999999996,3.473871362521062,2.9952011365694267,2.3335527931030478,2.214028495897007,1.4455611717700598,0.9728791733530473,0.08392307051869145,0.08392307051869126,1.901370199470302,1.6102787536393635,1.2496297225843562,1.1215055696031178,0.6696412208656995,0.37913024393866585,0.08392307051869081,0.08392307051869109,3.5027948837588596,3.0388278811455125,2.4054545878412905,2.2838627344009685,1.5479934804692266,1.0975141080996664,0.2709139018929374,0.27091390189293724,1.8391530227057455,1.525402757195042,1.1345406859483507,1.0060980217420767,0.5252296909410004,0.22054008582568138,0.2709139018929368,0.27091390189293685,3.6299328887357585,3.227855552857241,2.704236987233521,2.577311005501372,1.9624250438684134,1.5866248519689186,0.9439184268026224,0.9439184268026224,1.655283248763242,1.2648756611681622,0.7603185604308972,0.63286487122259,0.03801070412211648,0.3264772763575256,0.9439184268026212,0.9439184268026214,3.5241043726675194,3.0708486109527526,2.4575399160416933,2.334662183646649,1.621603013217413,1.1861075785821669,0.3992772455089825,0.3992772455089823,1.79944973460941,1.4703732957097386,1.0582626705327116,0.9297375721833714,0.42820016132296485,0.1131787676961033,0.39927724550898175,0.39927724550898186,3.691746927606502,3.3176766876349024,2.8389820851496492,2.710985540587167,2.1428555732240846,1.7930526303215963,1.20764482296209,1.2076448229620889,1.597738070857285,1.180490847262054,0.6313372621875628,0.5052943901961164,0.1368845213291094,0.5285455424225394,1.207644822962087,1.2076448229620875,3.511109124595506,3.14737513936945,2.62718162436338,2.422748981014496,1.6977099146822758,1.2696829357562043,0.5806451612903231,0.5806451612903228,1.7991169177208053,1.3790575093063806,0.8852461404924132,0.8138374939039814,0.31723261577150746,0.0025539251557047723,0.580645161290322,0.5806451612903222,0,0,0,0,0,3,2,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.2886751345948129,0.2886751345948129,0.0,0.2886751345948129,0.2886751345948129,0.0,4.99156383156272,2.770055610029662,2.182521984712165,0.8660254037844388,0.5773502691896258,0.0,0.0,0.0,0.8319273052604533,0.5540111220059324,0.43650439694243304,0.2886751345948129,0.2886751345948129,0.0,0.0,0.0,4.99156383156272,2.770055610029662,2.182521984712165,0.8660254037844388,0.5773502691896258,0.0,0.0,0.0,0.8319273052604533,0.5540111220059324,0.43650439694243304,0.2886751345948129,0.2886751345948129,0.0,0.0,0.0,9.792794626501124,19.214857975236704,18.078431372549026,18.320000000000004,11.589881437125744,154.4550910179641,0.48963973132505617,0.9607428987618352,0.9039215686274513,0.9160000000000001,0.5794940718562872,7.7227545508982045,2.442500000000001,29.74599999999998,11.058784869492166,17.230479752186845,22.11756973898433,3.6862616231640555,11.058823127746622,0.07612893545072408,0.012688155908454013,-1.5451961142421688,21.33947531369421,3.5565792189490346,1.8363351951505154,31,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.729166666666667,0.0,2.7060185185185186,0.0,0.0,0.0,0.8981481481481479,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2222222222222223,0.0,1.3310185185185186,0.0,0.0,0.0,0.8981481481481479,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2534722222222223,0.0,1.375,0.0,0.0,0.0,0.8981481481481479,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.333333333333332,1.722222222222222,0.2,2.2534722222222223,0.2,0.8981481481481479,4.593013888888889,0.4351851851851853,0.2534722222222222,1.4583333333333335,0.4351851851851853,0.2534722222222222,1.4583333333333335,3.0,0.5,0.0,0.0,0.42,0.7,0.42,0.42,0.7,-0.0,0.0,0.0,0.0,0.71429,0.0,0.0,0.5,0.16667,0.0,2.5,0.41667,2.5,0.41667,0.0,0.0,-2.5,-0.41667,0.0,0.0,5.69868,0.94978,5.69868,0.0,0.0,2.77005,0.46167,2.77005,0.0,0.0,0.14395,0.02399,0.14395,0.02399,0.0,5.0,0,0,0,0,0,0,1.0,0.8812908992306927,1.319035274338866,2.395461844238322,2.908694969562842,2.6303429399266474,2.0282129458410014,17.625817984613853,26.38070548677732,47.90923688476644,58.17389939125684,52.60685879853295,40.56425891682003,0.20391151353795506,0.30519602487121955,0.5542576812122443,0.6730086446842305,0.6086040494376154,0.46928428731618227,3.44063719565667,3.002892820548497,1.9264662506490406,1.4132331253245205,1.6915851549607153,2.293715149046361,0.20746373294780487,0.31051266062437805,0.5639130697633866,0.6847327220997956,0.6192061732697407,0.47745940565657846,6.6160959460597875,11.869028447357868,15.567205858459303,14.985237552612949,13.428555415331745,8.07097475296254,23.802045510726657,17.71551634031143,15.91187883683638,16.468824514235365,14.188900782627467,10.521546752926849,6.0,3.2,5.333333333333333,6,0,5,2.12,0.9540000000000006,0.944940787421155,2.94168275343288,2.080083823051904,0.0,1.0,1.4142135623730951,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.103,0.084,0.08800000000000005,0.024999999999999994,2.54,5.0,3.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,21.0,1.791759469228055,1.791759469228055,1.3862943611198906,1.0986122886681098,0.0,0.0,0.0,0.0,0.0,0.0,3.091042453358316,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.4,5.0,1.0,0,2.0,4.0,1.0,1.5,0.44444444444444464,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3,0.08888888888888893,0.08333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.47222222222222227,11.058784869492166,17.230479752186845,22.11756973898433,3.6862616231640555,11.058823127746622,0.07612893545072408,0.012688155908454013,-1.5451961142421688,21.33947531369421,3.5565792189490346,1.8363351951505154,0.0,112.33236645600009,3.584962500721156,3.044522437723423,3.6109179126442243,4.290459441148391,4.875197323201151,5.564520407322694,6.154858094016418,6.846943139585379,7.438971592395862,8.131824785007195,60.95821513304474,2.3978952727983707,0.0,3.4339872044851463,0.0,4.61512051684126,0.0,5.860786223465865,0.0,7.1316985104669115,7.465655310134056,86.109550448,4.3054775223999995,10.67917749433882,1.7798629157231367,0.0,0.0,0.0,32.0,3.0,3.6929999999999996,20.0,1.220894736842105,2.1031737344196952,2.8662274492418387,3.481606509476175,4.458488244011869,5.352201743647857,0.0,0.0,0.0,0.0,67.74862771742102,64.92246436879346,53.73170424465986,46.30289634458284,29.207987646326178,5.438179512457814,0.0,0.0,0.0,0.0,263.8372191108719,301.27689424576204,310.6084069247375,288.8670830412548,324.716787875866,166.36647114232926,0.0,0.0,0.0,0.0,8.85936690336842,14.892880752455476,20.066620490314573,24.036355646140503,30.842354152880876,35.958574735435356,0.0,0.0,0.0,0.0,2.0309853125484203,2.547295131636179,2.859045839179985,2.828771283414338,3.4706948861500058,2.3796579645811557,0.0,0.0,0.0,0.0,176.3944505309346,330.6965184756538,467.2285650647295,593.9267762018251,753.7080676460863,989.7165795954529,0.0,0.0,0.0,0.0,2.4926535087719293,3.4342732090022783,4.446910857149722,4.8510215226933315,6.683519787281678,5.352201743647857,0.0,0.0,0.0,0.0,0.42226934210526323,0.5393541812569772,0.6142709304428084,0.615416415167965,0.7627135365407413,0.5480654585495405,0.0,0.0,0.0,0.0,357.69139846191564,122.56151973685662,8.611633057699457,141.51893156717765,-48.49089298482601,-8.604111352777023,216.172466894738,171.05241272168263,17.215744410476482,0.7165144167611072,0.24551078446175964,0.017250510535704623,0.2834855832388927,-0.09713519546360354,-0.017235443329619377,178.56324107474083,61.18397671670343,4.299016180823596,70.64771253301542,-24.20715469036044,-4.295261268026887,0.08576595025197206,0.1901642080525535,1.4856003786982281,12.379444351121291,499.2103300290933,0.0,1.0,0.0,310.4078457307497,17.618395095205173,6.770866171770718,446.0263508757768,21.119335947793832,7.64047171687309,476.92845598012065,21.83869171860166,7.812998575774129,1.4630261345117122,1.2058352054617782,323.3377632900086,278.62291849417556,74.98855203141179,1.1604851640973954,4.311828332870948,3.7155393849645724,3.7142597885241955,3.220218460982486,6.424246450394837,0.9949722443472996,3.904607748102188,4.742676419351813,2.307509790248865,14.595373247431208,5.371323117239052,3.184223796917143,4.445472319232317,8.80356386865203,2.9304923661382514,5.567213732147556,0.8842203317266488,1.1267105526461845,8.026179104848394E-15,1.1027773721920957E-50,2.922420801982873E-108,1.4937350086590368E-187,1.4725846652083677E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.327686671397857,4.742376741090368,0.14034470001849442,5.318846764202296,0.5370631594438074,0.09011994337999742,0.3215661961769392,0.4203328722116356,0.9990426453155141,0.07631773871740162,0.006228704459000645,0.00793551454809677,5.652903569827095E-17,7.766951201255298E-53,2.058284866093577E-110,1.0520497801654618E-189,1.037153420336769E-290,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0578125204045727,4.7423973174026965,0.48817635865621173,6.485060806463838,0.8705148222830843,0.40757052325296855,0.8735921722695527,1.5265345300972124,1.2100105172033127,0.5039380699215332,0.06489951447535151,0.08269417990504467,5.890761360915981E-16,8.093761986793297E-52,2.1448915250668306E-109,1.0963169843968191E-188,1.0807938289399416E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.685631202870315,4.7426437123059415,2.1413948741393836,13.770168236419686,4.8442488478555,2.883679024943628,4.090505371408184,8.076321456536458,2.747411229662849,4.985837848780951,0.787825132102195,1.0038788176264721,7.15118108276359E-15,9.825547847239097E-51,2.6038243206397363E-108,1.330891000193545E-187,1.3120464249601051E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5590210264592372,4.742423495716617,0.7550206741954674,7.501587375557876,1.293404312434604,0.7187597127909552,1.3385738228940491,2.465542683432912,1.409253624612166,1.0033080668875949,0.1409677887456072,0.179622808898147,1.2795520838484675E-15,1.7580732577434633E-51,4.658991007066404E-109,2.3813469872513914E-188,2.3476286192921382E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.715379332691892,4.742813824609736,2.9605301413952736,17.942883874409503,7.58526622710941,4.423180982754235,5.876141168628069,11.739226790216028,3.6819794152165457,7.998223977418642,1.2895487686983966,1.643201451004556,1.1705427911484995E-14,1.6082971565902106E-50,4.26207608598847E-108,2.1784721265636447E-187,2.147626338383388E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3821183585880727,4.023965690616287,1.0530484495146997,9.292171181970788,2.1652707210399154,1.3679585300082189,2.005989930008648,3.755213295451891,2.1531859278625123,2.0397098897874075,0.29811851191587885,0.37986911452379163,2.706016680510801E-15,3.7180007137381793E-51,9.852906762148291E-109,5.036109706613194E-188,4.964801576769107E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7840530002894788,1.195212012820288,0.5676714823833929,0.6821879073906815,0.2154724529100681,0.5389485464827699,0.484795830074137,0.4369242649686363,5.54693649549316,7.349332354266425,15.46370255071129,0.5232818610860221,1.4606686415255432,3.0599530941038977,0.6950641255016782,0.1766695035172664,0.7782799875961256,0.17678522589653475,0.3523128002865371,0.163802889071433,0.04227479550785601,3.9316867231228425,2.7902606493159836,7.097699312485708,0.6674199813941885,0.5583904848658261,3.3618026447299134,0.9035678189532287,0.3396826007529721,0.7300247353700284,0.19621224909030877,0.4253038539021214,0.2769265776948949,0.15636531079713598,4.605053064436115,4.486488815728603,10.123367415289566,0.5950371030550428,0.8585957423941523,3.767499190922563,1.1837790041528968,0.5587343639040447,0.6837551004820815,0.2148414348391506,0.5342397320100927,0.4755560566591217,0.4232687220540129,5.510012558979505,7.22633571321461,15.228240085542518,0.5256326507231225,1.4330645107232272,3.490086016043495,0.9921750459111521,0.4089529488032343,0.7135418749552354,0.2028484224425537,0.45840668565146125,0.33395669449742116,0.2266828801185152,4.891214010757881,5.295810131794094,11.603136702344678,0.570312812432853,1.0190462602673975,3.835465650437143,1.2307202633087078,0.595427854616482,0.6774509543321572,0.21737976373204693,0.5537050580293529,0.5140602012434393,0.480717479691575,5.661613768362333,7.736933504927438,16.20919616258432,0.5161764314982358,1.5484827389643672,3.779791872487442,1.1871058119430955,0.559071711329427,0.6840052128025987,0.2148230883895146,0.5377450217980834,0.47831074971150533,0.4237146286655074,5.525969395759964,7.263864888197867,15.29839626458673,0.526007819203898,1.4397704001750962 +UMLCN0278,L,n-tetradecane,CCCCCCCCCCCCCC,Alkanes,,C14H30,NREL (2014),IQT,PubChem,,85.1,0,-3.3534000000000006,11.245291560000004,46.736599999999996,44.64378999999996,0,0,44,14,30,0,14,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2050.179613999997,2238.646213,2403.2413560000005,2249.1593149999962,2052.4025859999942,1855.6458569999945,1658.889127999995,1462.1323989999955,1265.375669999996,6861.748957418517,8947.818213856846,11837.487504756726,12136.206425900693,11129.408080945563,10122.609735990427,9115.811391035286,8109.013046080135,7102.214701125013,307.1211440000001,311.5556680000001,595.770672000001,815.0612600000021,752.1763600000015,689.291460000001,626.4065600000006,563.52166,500.63675999999964,52.382987145470054,69.66202929999999,101.60122502728184,111.25343817154366,102.2319093121477,93.21038045275176,84.18885159335582,75.16732273395995,66.14579387456408,7322.650545987472,6242.003060557003,13118.667586013078,19406.253815992917,17927.298660954337,16448.343505915756,14969.38835087716,13490.433195838563,12011.478040799966,65.0,78.75,129.5,159.25,147.0,134.75,122.5,110.25,98.0,46.59499122727266,52.0615398372093,28.61001614285715,19.223583888888857,19.003727648148097,18.74389754545449,18.432101422222168,18.051017271604884,17.57466208333328,155.94883994132994,208.08879567108946,140.92247029472293,103.72826005043328,103.05007482357003,102.24858319182249,101.2867932337254,100.11127217382882,98.6418708489585,6.980026000000001,7.245480651162793,7.092508000000012,6.966335555555574,6.9645959259259405,6.96254000000001,6.960072888888895,6.957057530864198,6.953288333333329,1.1905224351243193,1.6200471930232554,1.2095383931819268,0.9508840869362706,0.9465917528902565,0.9415189944722401,0.9354316843706202,0.9279916386908635,0.9186915815911677,166.4238760451698,145.16286187341868,156.1746141192033,165.8654172307087,165.99350611994757,166.14488389813894,166.32653723196844,166.54855797331558,166.82608389999953,1.4772727272727273,1.8313953488372092,1.5416666666666667,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,0.06243492050425357,-0.004413884623719827,-0.029489158317255435,-9.914503779513695E-5,-2.8176920587798682E-6,-2.4474542902963928E-8,8.51505714896672E-13,7.699298078429895E-11,3.6100650899640457E-9,1155.6300859090916,-56.28068600206799,-522.284766099175,-7.754227849173583,-8.0043642314051,-8.25450061363639,-8.50463699586768,-8.754773378099026,-9.00490976033043,2148.943491919853,-104.65633889220103,-971.210824919621,-14.419317802923892,-14.88445708688942,-15.34959637085472,-15.814735654820133,-16.279874938785774,-16.7450142227513,0.22637999999999966,-0.011024999999995896,-0.10231199999999646,-0.001519000000000503,-0.0015680000000004965,-0.0016170000000005178,-0.0016660000000005529,-0.0017150000000005741,-0.0017640000000006093,9.606777264467716,-0.46786252911366066,-4.341764270175008,-0.06446105956678165,-0.0665404485850634,-0.06861983760334515,-0.0706992266216269,-0.07277861563990955,-0.07485800465819263,52.18416657155858,-2.541436683680547,-23.584532424549217,-0.35015349864029166,-0.36144877278996934,-0.372744046939647,-0.3840393210893247,-0.3953345952390024,-0.40662986938868007,3.5454545454545423,-0.6466942148760341,-1.3595041322314045,0.02685950413223282,0.0247933884297531,0.022727272727273713,0.020661157024794215,0.018595041322314494,0.016528925619834774,0.001418975466005763,-1.0264847962139133E-4,-3.510614085387552E-4,-8.47393485428521E-7,-2.608974128499878E-8,-2.472176050804437E-10,9.461174609963023E-15,9.505306269666538E-13,5.0139792916167304E-11,26.264320134297535,-1.3088531628387905,-6.217675786894941,-0.06627545170233831,-0.0741144836241213,-0.08337879407713525,-0.09449596662075199,-0.10808362195183983,-0.12506819111570042,48.83962481636029,-2.433868346330257,-11.562033629995488,-0.123242032503623,-0.13781904710082796,-0.15504642798843152,-0.17571928505355702,-0.20098611035537992,-0.23256964198265695,0.0051449999999999925,-2.5639534883711385E-4,-0.0012179999999999578,-1.2982905982910282E-5,-1.4518518518523115E-5,-1.6333333333338563E-5,-1.8511111111117255E-5,-2.117283950617993E-5,-2.4500000000008463E-5,0.21833584691972083,-0.01088052393287583,-0.05168766988303581,-5.509492270665098E-4,-6.16115264676513E-4,-6.931296727610621E-4,-7.855469624625212E-4,-8.985014276532043E-4,-0.0010396945091415643,1.1860037857172403,-0.05910317869024528,-0.2807682431493954,-0.0029927649456435185,-0.00334674789620342,-0.0037650913832287577,-0.004267103567659163,-0.004880674015296326,-0.005647637074842778,0.08057851239669414,-0.01503940034595428,-0.016184573002754814,2.2956841138660532E-4,2.295684113866028E-4,2.2956841138660318E-4,2.295684113866024E-4,2.295684113865987E-4,2.2956841138659407E-4,-0.07233985511415068,-0.24740484733463983,-5.971868476442562E-4,-1.838632302673852E-5,-1.742226070873023E-7,6.667609720268833E-12,6.698710793374587E-10,3.533520777304522E-8,-0.04983388704319101,-0.23673469387755158,-0.0025234025234025315,-0.002821869488536204,-0.003174603174603183,-0.0035978835978835583,-0.004115226337448488,-0.004761904761904681,-0.04983388704318957,-0.23673469387755083,-0.002523402523402256,-0.0028218694885359017,-0.003174603174602891,-0.0035978835978833033,-0.004115226337448309,-0.004761904761904534,-0.04983388704317089,-0.23673469387754317,-0.002523402523403363,-0.0028218694885370527,-0.0031746031746041955,-0.0035978835978847973,-0.0041152263374499435,-0.004761904761906414,-0.04983388704318652,-0.23673469387755036,-0.0025234025234027947,-0.002821869488536394,-0.0031746031746033745,-0.0035978835978837517,-0.0041152263374487075,-0.004761904761904929,-0.049833887043204,-0.2367346938775577,-0.002523402523402261,-0.0028218694885357902,-0.0031746031746026884,-0.0035978835978829663,-0.004115226337447751,-0.00476190476190373,-0.18664281454979176,-0.20085470085470095,0.002849002849003002,0.0028490028490029706,0.0028490028490029753,0.002849002849002966,0.00284900284900292,0.002849002849002862,1.5944313396994738,1.4292406926898145,0.9456644276259777,0.9438795758616485,0.9424012631714701,0.9406488364382458,0.9385071970880589,0.9358301148330004,1.5714285714285716,1.4479591836734698,0.9625559625559629,0.9593474426807763,0.9555555555555558,0.9510052910052912,0.9454438565549679,0.9384920634920637,1.5714285714285703,1.447959183673468,0.9625559625559618,0.9593474426807752,0.9555555555555547,0.9510052910052903,0.9454438565549669,0.9384920634920628,1.5714285714285714,1.4479591836734704,0.9625559625559631,0.9593474426807761,0.9555555555555553,0.9510052910052909,0.9454438565549675,0.9384920634920633,1.5714285714285736,1.447959183673469,0.9625559625559625,0.9593474426807762,0.955555555555556,0.9510052910052917,0.9454438565549687,0.9384920634920647,1.5714285714285714,1.4479591836734687,0.9625559625559621,0.9593474426807757,0.9555555555555553,0.9510052910052907,0.9454438565549675,0.9384920634920635,1.7628205128205146,1.2272588522588534,0.8292789831251378,0.8422364672364681,0.8575498575498585,0.8759259259259268,0.8983855650522325,0.9264601139601149,135.3878200619314,67.6939100309657,107.57890115145126,135.3878200619314,9.670558575852244,67.6939100309657,-1.4210854715202004E-14,2.220446049250313E-16,1.586032892321652E-17,-50.46111474476402,90.61877602992156,6.4727697164229685,6.3093260055361995,135.3878200619314,67.6939100309657,107.57890115145126,135.3878200619314,9.670558575852244,67.6939100309657,-1.4210854715202004E-14,2.220446049250313E-16,1.586032892321652E-17,-50.46111474476402,90.61877602992156,6.4727697164229685,6.3093260055361995,135.3878200619314,67.6939100309657,107.57890115145126,135.3878200619314,9.670558575852244,67.6939100309657,-1.4210854715202004E-14,2.220446049250313E-16,1.586032892321652E-17,-50.46111474476402,90.61877602992156,6.4727697164229685,6.3093260055361995,135.3878200619314,67.6939100309657,107.57890115145126,135.3878200619314,9.670558575852244,67.6939100309657,-1.4210854715202004E-14,2.220446049250313E-16,1.586032892321652E-17,-50.46111474476402,90.61877602992156,6.4727697164229685,6.3093260055361995,135.3878200619314,67.6939100309657,107.57890115145126,135.3878200619314,9.670558575852244,67.6939100309657,-1.4210854715202004E-14,2.220446049250313E-16,1.586032892321652E-17,-50.46111474476402,90.61877602992156,6.4727697164229685,6.3093260055361995,135.3878200619314,67.6939100309657,107.57890115145126,135.3878200619314,9.670558575852244,67.6939100309657,-1.4210854715202004E-14,2.220446049250313E-16,1.586032892321652E-17,-50.46111474476402,90.61877602992156,6.4727697164229685,6.3093260055361995,146.20640740474116,73.03177513094194,116.62790173200935,146.08395842514918,10.434568458939227,73.03177513094194,-0.1428571428572809,3.885780586188048E-16,2.7755575615628914E-17,-49.67765264165443,90.11960885515788,6.4371149182255625,6.301592885402984,0,11.889999999999999,12.110241833500584,-0.17050519205174397,0.04995916298691393,5.117051640505364,7.584266683210703,13.0,43.0,43.0,43.0,13.0,0.0,0.0,0.0,0.0,0.0,32.796209999999995,3.5393923633785715,3.4397789792879165,3.27962267702398,3.0675977875800005,2.8155693116837384,2.5382103498336295,2.252277703446999,1.9752775163366925,1.9491629142196882,1.880267816296431,1.7698168629543765,1.624969985594048,1.4563178615089913,1.2772590036291631,1.1021141723092245,0.9432563458906182,3.5675497172394337,3.4700279982753446,3.3133762396017237,3.106305953540854,2.860745439572676,2.5914443388417214,2.31518760805791,2.049322911925696,1.8900942772669032,1.81691039429749,1.6998167052935438,1.546463544860333,1.3678330483137795,1.1776676141214266,0.9907875980660011,0.8203511851768618,3.690359788391614,3.602137581921492,3.4609108039010925,3.275337980808279,3.0573394479972444,2.8216263342792627,2.5845973673486156,2.3622772520915176,1.714689877825547,1.6283227319781186,1.4901340642898888,1.3087218239422211,1.095945938588287,0.8664430959381226,0.6364572006206555,0.4216746206061057,3.5882380141245247,3.492266476270362,3.3382051288384313,3.134782929809432,2.893960727274252,2.630524496083716,2.361250147174771,2.10332757503595,1.8523434343575123,1.776369619230698,1.654892311051022,1.4958360741702805,1.31041978905782,1.1126065470685156,0.9175410172401396,0.7389092700148083,3.7496114922516894,3.6659028537090577,3.532041109060217,3.3565059582322823,3.1510389828456047,2.9301400786919594,2.7098018626948,2.5052071535112286,1.6593925924139212,1.5688103213640112,1.4236977277904277,1.232765007877424,1.0079814579355175,0.7641238622164038,0.5177570214685934,0.2853115314995565,3.600695797902846,3.527339863716418,3.3986551539790026,3.2156612793050976,2.987895589669697,2.731633628567276,2.46704227432008,2.214682281870995,1.817798327953664,1.724666675973546,1.5794785975677756,1.395935686810537,1.1903173317068263,0.9787191301169303,0.7748004272725579,0.5889976727853151,0,0,0,0,0,2,12,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.485281374238573,6.914213562373096,4.535533905932739,2.957106781186548,1.9142135623730954,1.2285533905932737,0.7803300858899107,0.48927669529663687,0.7489486695884695,0.5318625817210074,0.37796115882772824,0.2688278891987771,0.19142135623730955,0.13650593228814153,0.09754126073623884,0.06989667075666241,10.485281374238573,6.914213562373096,4.535533905932739,2.957106781186548,1.9142135623730954,1.2285533905932737,0.7803300858899107,0.48927669529663687,0.7489486695884695,0.5318625817210074,0.37796115882772824,0.2688278891987771,0.19142135623730955,0.13650593228814153,0.09754126073623884,0.06989667075666241,22.127417056788083,42.31755280407869,39.88235294117645,40.400000000000006,25.978317365269493,338.681131736527,0.5028958421997292,0.9617625637290611,0.9064171122994648,0.9181818181818183,0.5904163037561249,7.697298448557432,5.707400000000006,66.75200000000007,67.6939100309657,107.57890115145126,135.3878200619314,9.670558575852244,67.6939100309657,2.220446049250313E-16,1.586032892321652E-17,-50.46111474476402,90.61877602992156,6.4727697164229685,6.3093260055361995,254,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.8000000000000003,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.570893798184216,0.0,17.429106201815785,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.285446899092108,0.0,1.3720414201183433,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.285446899092108,0.0,1.481983418367347,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,22.0,1.5714285714285714,0.2,2.285446899092108,0.2,1.3720414201183433,10.375455310090791,0.1279585798816568,0.2854468990921081,1.1417875963684323,0.1279585798816568,0.2854468990921081,1.1417875963684323,7.0,0.5,0.0,0.0,0.42727,0.7,0.42727,0.42727,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.14286,0.0,0.0,6.5,0.46429,6.5,0.46429,0.0,0.0,-6.5,-0.46429,0.0,0.0,17.08479,1.22034,17.08479,0.0,0.0,6.91421,0.49387,6.91421,0.0,0.0,-2.1E-4,-2.0E-5,-2.1E-4,-2.0E-5,0.0,13.0,0,0,0,0,0,0,1.0,0.902393282794979,1.090652803252992,1.7601553465802904,2.1878785072265203,2.3176400059662177,2.3157380068768356,39.70530444297908,47.98872334313165,77.44683524953278,96.2666543179669,101.97616026251357,101.89247230258077,0.16529070163905105,0.19977405697870518,0.3224063363247389,0.40075206725872065,0.42452038378030144,0.4241719960318609,4.557038335842318,4.368778815384305,3.699276272057007,3.271553111410777,3.1417916126710796,3.1436936117604617,0.1663010051275171,0.20099513248185932,0.32437697498173823,0.40320157716790855,0.4271151723582747,0.42676465516544254,6.68760966481471,8.946723910310867,11.570145384795177,12.80546320788715,13.181178227512554,12.934323212213732,55.45747990690045,50.54214994210776,47.8120439115734,45.39515316900795,45.26165387344105,46.19625061820315,14.0,13.0,13.090909090909092,14,0,14,3.0,2.081200000000002,0.07692307692307693,4.537846781638471,0.0,0.0,19.17822877738171,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.08499999999999999,0.064,0.12700000000000003,0.04000000000000001,6.76,12.0,11.0,10.0,9.0,8.0,7.0,6.0,5.0,4.0,99.0,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,4.605170185988092,1.0,0.46153846153846156,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.0,0.8461538461538461,13.0,1.0,2,7.0,13.0,0.8571428571428571,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.038461538461538464,0.018518518518518528,0.011363636363636364,0.008000000000000002,0.006172839506172839,0.005102040816326531,0.004464285714285714,0.004115226337448558,0.004000000000000001,0.004132231404958678,0.11487710651582893,67.6939100309657,107.57890115145126,135.3878200619314,9.670558575852244,67.6939100309657,2.220446049250313E-16,1.586032892321652E-17,-50.46111474476402,90.61877602992156,6.4727697164229685,6.3093260055361995,0.0,250.70024346293349,4.807354922057604,3.9318256327243257,4.574710978503383,5.231108616854587,5.8888779583328805,6.55250788703459,7.215975002651466,7.8826922062890254,8.548885638148727,9.217216675915616,86.04380059645462,3.295836866004329,0.0,4.31748811353631,0.0,5.4680601411351315,0.0,6.678342114654332,0.0,7.921898411023797,8.268988209506656,198.23475095999999,4.505335249090908,26.828469012655187,1.9163192151896562,0.0,0.0,0.0,455.0,11.0,8.306,50.0,1.236953488372093,2.1365652787444227,2.8609512871365124,3.6026358307572255,4.9396885693533275,5.957484449862546,7.278078195640127,8.384526328339712,9.687629021647586,10.831553232435835,75.82653488369762,68.4930735079451,67.56903957975875,89.2417593825592,110.9495194055246,131.48433951931096,151.04113004599458,168.5357993681785,183.5792653696928,194.45197003809264,284.09922693829304,322.2009577963578,328.7179934751872,440.6048376570602,559.7625923100319,674.944943122813,789.483774026517,897.1716406642607,998.5310837713287,1086.5782266110405,8.998893227069772,15.201745459536358,19.986849333912176,25.28843557903526,34.525777276498054,41.66544205445023,50.79091355654214,58.49767326498747,67.47781790517357,75.38201378945736,2.148806409555813,2.7133281580836957,2.903444729386074,3.864006235175296,4.9914285025315355,6.038718216140578,7.139812384368086,8.159966588710468,9.176785406452538,10.081182256928214,177.28286800836375,330.2110977285738,470.70434859979576,583.2140785150923,811.0061623582142,975.8672584602273,1200.590425129242,1383.9731341676681,1607.4499344057967,1801.776809599772,2.331540697674418,3.3721417536626968,3.9951063799670288,5.207810196992948,6.9403684935812455,8.4262550202613,10.164608898680301,11.734974563590782,13.464994942891014,15.069631260220344,0.44536133720930215,0.5736544677114146,0.6205764727580647,0.8240640657455905,1.0681669276232926,1.2926899947600523,1.5315825703956525,1.751923483976774,1.973973108126802,2.171858907895224,637.4246988237765,490.8589420357363,16.073624512020466,200.29646114474548,-154.24144874278355,-11.778165860804698,437.128237679031,645.1003907785198,27.851790372825164,0.7609031850738115,0.5859454977288393,0.01918732065049478,0.23909681492618826,-0.18412027308535367,-0.014059768839129324,533.9841580912399,411.20292230309855,13.465215371108254,167.7925837677662,-129.21132535603,-9.866818767214959,0.03428112513891959,0.08462377655220482,0.5209993003623237,5.620673317176478,837.7211599685221,0.0,1.0,0.0,807.0603988999493,28.408808473780617,9.310407275927387,1097.6714813535784,33.13112556726044,10.315512119527844,1341.5021793127394,36.62652289410966,11.028855860832925,4.350199831935941,4.350199831935941,5157.517499401512,5116.043239703581,88.16675372218378,1.0081067062483104,58.4973051820986,58.02689816418096,6.481019052561843,9.364340826787707,17.451328748131427,0.863593932656746,8.367016603079154,12.330805128193338,4.484409567427717,55.737561241862835,23.315920839921677,0.14362393829899,9.127437877784676,9.583483007242693,39.0435738162486,1.3946326347318883,2.1919589556157355,39.40556719122964,5.113071830702587,40.81695031718125,2.7068888182580326,0.7609043994204198,16.423056875882427,4.699830672021382,32.73198621249543,4.287086103241737,1.759104133757093,8.078949466284577,5.2783085516715875,19.5255164104382,5.795343448964398,2.6880187910885898,2.115773720143784,4.252101000265545,4.5958645249081025,7.251446834168715,0.7021857244269996,12.330178291253322,0.31794792427398627,12.202787144163198,0.16835727671279316,0.0013033698822453523,1.3808829339064486,0.34183723674649114,10.638105327316657,0.04689261425213655,0.021119104543227782,2.5278097580224874,0.15434524142814857,8.894345293569234,0.1143868964418941,0.07061899374261546,0.600533236319939,0.08700858987885546,6.304108147959497,0.18627978081280575,0.17120668840437292,0.13070351999574098,0.07090233981001239,3.6473832413568936,0.25181388464847093,0.21389678813708551,0.023955776029386835,0.062393340639908944,1.3855818317788064,0.3067681331770978,2.2667411151556807,12.330221358920575,1.064854428356519,15.264848907242905,1.7218965765565715,0.01101372849982024,2.9619597353641214,1.408205900655578,14.302658026752212,0.19759840772272713,0.16953586049581462,8.56071858028678,0.6792920766284022,13.938405701247705,0.4435711244166587,0.20032667970061563,2.4302896145024047,0.48343923692912866,10.559646521287391,0.7156616569617664,0.48827125094722107,0.7780739044147047,0.4740485688325023,6.183507300432347,0.9674370240221308,0.6307716974060414,0.1776423747977886,0.39543872174591355,2.0408681225412826,1.189146618991978,7.897781149010856,12.330736724850427,4.192706684350643,51.01194429442982,20.77691725716205,0.12806921634522453,8.65314265685268,8.727610164813017,36.54981120222562,1.2681175326598608,1.9548073270159279,36.6191875454774,4.637134547004435,38.34191803837432,2.477424091325691,0.7146854554701304,14.95915454348303,4.224582879483678,30.711165917871007,3.9271906442478017,1.659396893426787,7.247428084377951,4.72610076594105,18.30408354914846,5.308830487506326,2.5053716312396443,1.8910303313389054,3.8108860304190797,4.399333018910287,6.636970158028653,3.340759342415678,12.330276127078175,1.6083305875020677,19.09621763275216,3.7299985718551807,0.02342212175154185,4.04736696378586,2.3837238624732664,17.451771251138595,0.3379891589491955,0.35892122885180183,13.145907252579036,1.1843217729033593,17.838069391391613,0.7289301203576698,0.29269075376570697,4.102036521638885,0.9174411888082736,13.81911950931954,1.1704223157387539,0.7080221436092704,1.5119817693016628,0.9467030247107011,8.133788663280027,1.5821879317831669,0.9431156666890672,0.36429125212563085,0.7791050198603091,2.4907018697660908,1.953777359875105,10.104384284342808,12.331092490469793,5.606050436317249,75.57387918202697,33.990571376675035,0.20898460274490158,10.883603952102744,13.081788384418802,49.13387324779374,1.9130282373135459,3.188397698987887,50.32263250024654,7.070963829837147,50.57215705479948,3.6368288372923283,0.9365288166308281,22.405557445476827,6.678430717554372,40.67166473384084,5.743204630250885,2.131110658673324,11.54934718202163,7.5879096217908435,24.33109037771584,7.7637507149721365,3.399685176824506,3.057674516898026,6.095461748099304,5.3235325723369575,9.74154559179458,5.421273567620246,11.811121758056581,2.6229516909482107,29.393246925995538,9.453305872247775,0.05857988879161259,5.933527434567164,4.603446578616994,24.2709030344249,0.6624004358357322,0.8951538679202091,22.46052336776135,2.3822384162782213,25.887428423462843,1.3472284545616047,0.451150110853413,8.109038713889806,2.045213201929095,20.84902786558758,2.147176096141781,1.0708678975156074,3.5073084286627956,2.2263232529623354,12.801804604944195,2.9025783165623302,1.5230493286662314,0.8907587402021486,1.8073769196330884,4.164272942510038,3.6099635281564297,27.631931878516802,0.80089858787654,0.526476825,0.9541641172725485,0.02765599949673402,0.557127803704354,0.6599840743178147,0.6363515046373526,28.95930729139334,37.0996015315149,77.71003850574273,0.9312461759088225,1.8534633826595215,25.68988126651931,0.3269026287725989,0.1176966044456989,0.9829880210083856,0.012508480081549011,0.48163074533983796,0.10995062773198491,0.03180287813673081,26.134480499737606,11.460176841954505,38.583083985434754,0.9744820315125783,0.6233842512085537,26.478065263875173,0.5193722222075721,0.28361716074858384,0.9705660432358166,0.01903783519116614,0.5116061916370822,0.27763806079897896,0.18467306958889473,27.28105464683133,21.408908163146144,52.59025794868931,0.9558490648537249,0.973917322024956,27.585518151747717,0.7895795486379154,0.5167087960620975,0.9547868927870391,0.027328839708759465,0.555259121188593,0.6414808418755341,0.6129573644700006,28.891806496447728,36.44262354211064,76.58884415906265,0.9321803391805586,1.8096973275341277,26.822122034636255,0.6033459156515713,0.3560372828002783,0.9654668388050762,0.021717538721875266,0.5249759120978694,0.3746757398967152,0.2910244745346167,27.781505233088104,25.947506867252393,59.490769777779505,0.9482002582076144,1.1906761265292014,27.776714664046192,0.8362044420217879,0.5569467152438616,0.9522400560290615,0.028666722265511667,0.5629772140970302,0.7193783154659411,0.7121407731205257,29.16986582131184,39.16288349651005,81.26895746021556,0.9283600840435922,1.9944963026834968,27.66977568556832,0.7916203359423868,0.5186189619402989,0.9547881773480484,0.027316077524267686,0.5586528357515529,0.6447490298336715,0.6174976952996907,28.980014983451007,36.66457678370772,77.00439927301613,0.9321822660220728,1.820899560884915 +UMLCN0279,L,n-decane,CCCCCCCCCC,Alkanes,,C10H22,Marquardt (2015),IQT,PubChem,,65.5,0,-2.2013999999999996,4.846161959999998,35.090199999999996,32.26944599999997,0,0,32,10,22,0,10,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1464.9946179999977,1564.7330249999993,1628.4072079999976,1462.1323989999955,1265.375669999996,1068.6189409999965,871.8622120000002,675.1054830000003,478.3487540000002,4919.011394973758,6335.857675895376,8183.29905810736,8109.0130460801365,7102.214701125013,6095.4163561698915,5088.6180112147695,4081.8196662596565,3075.02132130453,223.21136800000014,224.45254800000004,424.85264,563.52166,500.6367599999996,437.75185999999974,374.86695999999995,311.9820600000001,249.09716000000023,37.67048390667801,49.598074820000015,70.85046444788597,75.16732273395995,66.14579387456408,57.1242650151681,48.102736155772085,39.08120729637604,30.05967843697998,5336.131905433479,4509.845254493801,9421.858790149689,13490.433195838563,12011.478040799966,10532.522885761371,9053.567730722774,7574.6125756841775,6095.657420645581,48.0,57.75,92.5,110.25,98.0,85.75,73.5,61.25,49.0,45.78108181249993,50.47525887096772,27.140120133333294,18.051017271604884,17.57466208333328,16.962205412698356,16.145596518518524,15.002344066666673,13.287465388888895,153.71910609292993,204.38250567404438,136.38831763512266,100.11127217382885,98.6418708489585,96.75264057412527,94.23366687434758,90.70710369465904,85.41725892512584,6.975355250000004,7.240404774193549,7.0808773333333335,6.957057530864198,6.953288333333328,6.948442222222218,6.94198074074074,6.932934666666669,6.9193655555555615,1.1772026220836878,1.5999378974193552,1.1808410741314328,0.9279916386908635,0.9186915815911677,0.9067343653201285,0.8907914102920756,0.8684712732528009,0.8349910676938883,166.75412204479622,145.4788791772194,157.03097983582813,166.54855797331558,166.82608389999953,167.18290294859318,167.65866168005138,168.32472390409282,169.32381724015502,1.5,1.8629032258064515,1.5416666666666667,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,0.04570950114475978,-0.004413884623716049,-0.021126448636656973,-9.914496080211496E-5,-2.814081993643717E-6,7.186157793066979E-8,1.5104450400667876E-6,1.323058917028475E-5,4.1117922742003486E-5,832.3288118749986,-57.22260581640694,-365.0896833906258,-10.87702424609381,-11.349938343750011,-11.822852441406212,-12.29576653906247,-12.76868063671867,-13.2415947343749,1547.7509673946547,-106.40787900838227,-678.8998561526558,-20.22629105118047,-21.105695009927405,-21.985098968674226,-22.864502927421047,-23.743906886167867,-24.623310844914915,0.16304749999999982,-0.011209515624996454,-0.07151856249999707,-0.00213073437500044,-0.0022233750000005105,-0.002316015625000581,-0.0024086562500006516,-0.002501296875000722,-0.0025939375000007788,6.919166958336868,-0.4756927283856387,-3.0349982339977464,-0.09042093184190197,-0.09435227670459473,-0.09828362156728748,-0.10221496642997979,-0.10614631129267255,-0.11007765615536491,37.585024733086804,-2.583970450400118,-16.4861585761043,-0.4911679368527728,-0.5125230645420202,-0.5338781922312712,-0.5552333199205186,-0.5765884476097696,-0.597943575299017,2.875,-0.66015625,-1.015625,0.03515625,0.03125,0.02734375,0.0234375,0.01953125,0.015625,0.0014284219107737431,-1.4238337495858222E-4,-3.521074772776162E-4,-1.2240118617545058E-6,-3.908447213394052E-8,1.1406599671534886E-9,2.7971204445681253E-8,2.940130926729945E-7,1.1421645206112078E-6,26.010275371093705,-1.8458905102066754,-6.08482805651043,-0.13428424995177543,-0.1576380325520835,-0.18766432446676526,-0.2276993803530087,-0.28374845859374825,-0.36782207595485833,48.36721773108296,-3.4325122260768475,-11.314997602544263,-0.24970729692815397,-0.29313465291565843,-0.3489698248995909,-0.4234167208781675,-0.5276423752481748,-0.6839808568031921,0.005095234374999994,-3.6159727822569207E-4,-0.0011919760416666178,-2.630536265432642E-5,-3.088020833334042E-5,-3.6762152777787E-5,-4.4604745370382435E-5,-5.558437500001605E-5,-7.205381944446608E-5,0.21622396744802713,-0.015344926722117378,-0.05058330389996244,-0.0011163078005173082,-0.0013104482875638157,-0.0015600574851950394,-0.0018928697487033295,-0.0023588069176149456,-0.003057712670982359,1.1745320229089626,-0.083353885496778,-0.27476930960173834,-0.006063801689540405,-0.007118375896416947,-0.008474257019543987,-0.010282098517046642,-0.012813076613550436,-0.016609543758306027,0.08984375,-0.021295362903225805,-0.016927083333333332,4.3402777777777775E-4,4.3402777777777775E-4,4.3402777777777775E-4,4.3402777777777775E-4,4.3402777777777775E-4,4.3402777777777775E-4,-0.09967879509875092,-0.24650103349849045,-8.568979882781879E-4,-2.7361994267344557E-5,7.985455547483302E-7,1.9581892600996227E-5,2.058307076189656E-4,7.995988524094564E-4,-0.07096774193548484,-0.23393939393939486,-0.005162738496071867,-0.006060606060606078,-0.007215007215007204,-0.008754208754208749,-0.010909090909090861,-0.014141414141414059,-0.0709677419354837,-0.23393939393939409,-0.005162738496071912,-0.0060606060606061465,-0.007215007215007265,-0.008754208754208757,-0.01090909090909085,-0.014141414141414115,-0.0709677419354615,-0.23393939393938462,-0.0051627384960729016,-0.006060606060607459,-0.007215007215009033,-0.008754208754211132,-0.01090909090909407,-0.014141414141418404,-0.07096774193548075,-0.2339393939393927,-0.005162738496071813,-0.00606060606060613,-0.007215007215007393,-0.00875420875420904,-0.01090909090909139,-0.014141414141414867,-0.07096774193549486,-0.23393939393939842,-0.005162738496071135,-0.006060606060605203,-0.007215007215006195,-0.008754208754207463,-0.010909090909089305,-0.014141414141411983,-0.2370266479663394,-0.18840579710144925,0.004830917874396135,0.004830917874396135,0.004830917874396135,0.004830917874396135,0.004830917874396135,0.004830917874396135,1.6289844132967302,1.403214125240258,0.9249774316817748,0.9215609462409565,0.9181438747613572,0.913606549491382,0.9070990620072377,0.8969921951057329,1.6000000000000039,1.4278787878787915,0.9463524130190821,0.9393939393939418,0.9304473304473327,0.9185185185185207,0.901818181818184,0.8767676767676787,1.6000000000000003,1.427878787878788,0.9463524130190798,0.9393939393939394,0.9304473304473306,0.9185185185185187,0.9018181818181822,0.8767676767676773,1.5999999999999994,1.4278787878787873,0.9463524130190792,0.939393939393939,0.93044733044733,0.9185185185185182,0.9018181818181814,0.8767676767676765,1.6000000000000019,1.4278787878787886,0.9463524130190806,0.9393939393939406,0.9304473304473316,0.9185185185185196,0.901818181818183,0.8767676767676779,1.600000000000002,1.4278787878787886,0.9463524130190804,0.9393939393939401,0.9304473304473315,0.9185185185185197,0.9018181818181829,0.8767676767676775,1.826086956521739,1.1681159420289855,0.7987117552334944,0.8236714975845411,0.8557625948930296,0.8985507246376812,0.9584541062801931,1.0483091787439613,68.68574350637252,34.34287175318626,54.77460084771694,68.68574350637252,6.868574350637252,34.342871753186266,0.0,1.1657341758564144E-15,1.1657341758564144E-16,-34.385425312513625,49.36979012827422,4.936979012827422,3.899338701264657,68.68574350637252,34.34287175318626,54.77460084771694,68.68574350637252,6.868574350637252,34.342871753186266,0.0,1.1657341758564144E-15,1.1657341758564144E-16,-34.385425312513625,49.36979012827422,4.936979012827422,3.899338701264657,68.68574350637252,34.34287175318626,54.77460084771694,68.68574350637252,6.868574350637252,34.342871753186266,0.0,1.1657341758564144E-15,1.1657341758564144E-16,-34.385425312513625,49.36979012827422,4.936979012827422,3.899338701264657,68.68574350637252,34.34287175318626,54.77460084771694,68.68574350637252,6.868574350637252,34.342871753186266,0.0,1.1657341758564144E-15,1.1657341758564144E-16,-34.385425312513625,49.36979012827422,4.936979012827422,3.899338701264657,68.68574350637252,34.34287175318626,54.77460084771694,68.68574350637252,6.868574350637252,34.342871753186266,0.0,1.1657341758564144E-15,1.1657341758564144E-16,-34.385425312513625,49.36979012827422,4.936979012827422,3.899338701264657,68.68574350637252,34.34287175318626,54.77460084771694,68.68574350637252,6.868574350637252,34.342871753186266,0.0,1.1657341758564144E-15,1.1657341758564144E-16,-34.385425312513625,49.36979012827422,4.936979012827422,3.899338701264657,75.83469465145228,37.85068065905948,60.84580395105104,75.72802798478563,7.572802798478563,37.85068065905948,-0.13333333333331865,1.6653345369377348E-16,1.6653345369377347E-17,-36.33133546156894,48.66635119410134,4.866635119410134,3.88498785070623,0,11.890000000000004,12.110155106233561,-0.17050516483886882,0.0498651712172756,5.112413350934601,7.407268786675994,9.0,31.0,31.0,31.0,9.0,0.0,0.0,0.0,0.0,0.0,24.050553999999995,3.512805122785978,3.337201265018059,3.062823148325889,2.716438049308188,2.333784738593552,1.9563341411324866,1.6241838023077406,1.3653173914034886,1.932483317270505,1.8155325841767003,1.6327371751645097,1.4053729187571289,1.1643359317599806,0.9427627789409331,0.7639300391167512,0.6347995783090945,3.5416513487690304,3.3701822858416186,3.102652657835908,2.765819865021094,2.3954300268612485,2.0327254362558067,1.7167205138336248,1.4731247536697565,1.8720498967682717,1.7472001049563093,1.552915660894548,1.3117548291290875,1.05552496344922,0.8186350772609327,0.6262724705986966,0.48687800287375826,3.667491354763528,3.5141732416673475,3.276143496427582,2.979400327844343,2.658834882371634,2.353568730272246,2.0970218030613417,1.9061391548678777,1.6924207038659647,1.5426756430595507,1.3103213698077554,1.0210629634554147,0.709480343045507,0.41413829570196087,0.16732649102160727,0.01541566674761807,3.562848206910904,3.394431522715746,3.1319313886306928,2.8020616501396325,2.44052331864176,2.088317692477111,1.7835880162132216,1.5504061291485374,1.833409087044487,1.7033664294027884,1.5013680983922306,1.2507603931631506,0.9839654451612739,0.7362537896781731,0.5341588953033405,0.3872662791302255,3.7281987376921495,3.5835452092030855,3.359192445223237,3.0803501681901726,2.7810978016073866,2.499169271408668,2.2652780973418527,2.0931462980466455,1.6357595609153033,1.4778721925948077,1.232516296102695,0.9259965363347266,0.5935429685845042,0.27494148158986603,0.005070188560871749,0.19716714707996802,3.5693401701437946,3.442789513973993,3.2168713570832543,2.9055462915569583,2.5486058274349555,2.198203331056927,1.9004137095638676,1.6789495894693878,1.8069349663281173,1.6420365032921005,1.4006032842305824,1.1220399134796888,0.8429150670910684,0.5900435049959123,0.3813700549119156,0.22576644055550524,0,0,0,0,0,2,8,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.6568542494923815,4.914213562373096,3.121320343559643,1.9571067811865475,1.2071067811865475,0.7285533905932737,0.42677669529663687,0.23927669529663687,0.7656854249492382,0.5460237291525663,0.39016504294495535,0.27958668302664963,0.20118446353109123,0.14571067811865474,0.10669417382415922,0.07975889843221229,7.6568542494923815,4.914213562373096,3.121320343559643,1.9571067811865475,1.2071067811865475,0.7285533905932737,0.42677669529663687,0.23927669529663687,0.7656854249492382,0.5460237291525663,0.39016504294495535,0.27958668302664963,0.20118446353109123,0.14571067811865474,0.10669417382415922,0.07975889843221229,15.960105841644623,30.766205389657678,28.980392156862756,29.35999999999999,18.784099401197608,246.56811137724554,0.49875330755139446,0.9614439184268024,0.9056372549019611,0.9174999999999996,0.5870031062874252,7.705253480538923,4.147000000000004,48.28400000000003,34.34287175318626,54.77460084771694,68.68574350637252,6.868574350637252,34.342871753186266,1.1657341758564144E-15,1.1657341758564144E-16,-34.385425312513625,49.36979012827422,4.936979012827422,3.899338701264657,122,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9999999999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.539767731166541,0.0,11.46023226883346,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2698838655832705,0.0,1.3688271604938271,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2698838655832705,0.0,1.4661111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.0,1.6,0.2,2.2698838655832705,0.2,1.3688271604938271,7.485011613441673,0.13117283950617284,0.2698838655832704,1.0795354623330815,0.13117283950617284,0.2698838655832704,1.0795354623330815,5.0,0.5,0.0,0.0,0.425,0.7,0.425,0.425,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.2,0.0,0.0,4.5,0.45,4.5,0.45,0.0,0.0,-4.5,-0.45,0.0,0.0,10.82617,1.08262,10.82617,0.0,0.0,4.91421,0.49142,4.91421,0.0,0.0,-2.1E-4,-2.0E-5,-2.1E-4,-2.0E-5,0.0,9.0,0,0,0,0,0,0,1.0,0.8960382325345575,1.1216407621868583,1.9056390622295665,2.35845859334435,2.3522170014624826,2.021782221599798,28.67322344110584,35.892504389979464,60.98044999134613,75.4706749870192,75.27094404679944,64.69703109119354,0.1792076465069115,0.22432815243737164,0.3811278124459133,0.47169171866886994,0.47044340029249654,0.4043564443199596,4.103961767465442,3.8783592378131417,3.0943609377704338,2.64154140665565,2.6477829985375174,2.978217778400202,0.1808644987797396,0.2264021633206676,0.3846515040662073,0.47605271280826106,0.4747928531880879,0.40809489469784777,6.667318507215866,9.374548863043474,12.394109747813378,13.369088575307941,12.844182173711285,10.281733958180848,39.639944988972836,35.17609676811088,33.0184203068209,31.584585933443496,33.04547782360919,37.304951102397176,10.0,9.0,9.142857142857142,10,0,10,2.56,1.5176000000000014,0.1111111111111111,4.250401118884065,0.0,0.0,11.24058362962237,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.08499999999999999,0.064,0.12700000000000003,0.04000000000000001,4.764,8.0,7.0,6.0,5.0,4.0,3.0,2.0,1.0,0.0,55.0,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,4.02535169073515,1.0,0.4444444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.7777777777777778,9.0,1.0,1,5.0,9.0,0.8,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.0,0.0,0.05555555555555555,0.02777777777777779,0.017857142857142856,0.013333333333333336,0.01111111111111111,0.010204081632653062,0.010416666666666666,0.012345679012345675,0.0,0.0,0.15860134794658604,34.34287175318626,54.77460084771694,68.68574350637252,6.868574350637252,34.342871753186266,1.1657341758564144E-15,1.1657341758564144E-16,-34.385425312513625,49.36979012827422,4.936979012827422,3.899338701264657,0.0,181.5163049594668,4.321928094887363,3.5553480614894135,4.174387269895637,4.812184355372417,5.4510384535657,6.09807428216624,6.744059186311348,7.394493107219038,8.043342170441608,8.695004592732307,73.9679314791937,2.9444389791664403,0.0,3.9318256327243257,0.0,5.056245805348308,0.0,6.244166900663736,0.0,7.466799475018602,7.822845290279774,142.172150704,4.4428797095,18.82909733129015,1.882909733129015,0.0,0.0,0.0,165.0,7.0,6.029999999999999,34.0,1.2320322580645158,2.1268167838401726,2.8534787770853365,3.5911820091218942,4.927171109355264,5.939369941553135,7.2560699771538975,8.351068313135457,9.639996477001446,10.743210396451312,73.35104720370964,64.85722262296646,63.21784037116326,82.25633201436726,99.99898706215153,114.67082218889738,124.78627585477936,126.3910231444818,111.14726030939362,53.69799054428418,277.88990195892205,310.8455963922357,315.75833275701507,419.3363500228855,526.7493237961389,623.7543860977077,709.842604136826,768.6351913562601,778.0286238267245,656.6194204949801,8.956135160129032,15.108394701215369,19.90650426892767,25.16007837419461,34.362158575735165,41.41828006373133,50.44784132036397,57.954809162890015,66.61187972156772,73.71761160785667,2.11269994434387,2.6394158314502922,2.8214625016443944,3.7282467437734237,4.782526661022711,5.713564367588104,6.6358304917183935,7.344922410210135,7.781398572242591,7.356886999828035,177.01061103947418,330.45300933437125,471.5092079931628,584.8518715520812,814.4923176393844,981.697822031386,1210.798686024468,1401.0894089409392,1638.6308828299898,1863.963708683909,2.3610725806451605,3.360669099200457,3.9860038325411375,5.194605393811468,6.925482083530807,8.405321627352302,10.13863169370264,11.69622522226007,13.512902479800129,14.600582016603274,0.4382847580645162,0.55886793697206,0.6042750491266607,0.7970317247343102,1.0266622663429026,1.228052559284326,1.4314952549985627,1.5900151034902776,1.696931382724301,1.6308790795295243,518.8062760052476,289.94837754261357,12.879820937233278,185.6728382161371,-103.76809357247754,-11.194831884216741,333.1334377891105,393.7164711150911,24.07465282145002,0.736439541686982,0.4115783870513675,0.018282757681849112,0.263560458313018,-0.14729761532698626,-0.01589093510116289,365.488185772672,204.26257618114803,9.073564845192145,130.80263660147472,-73.10245464438073,-7.886525249650324,0.04723538126907843,0.1166016673511864,0.7178761051106234,7.744630494182614,704.4791142213846,0.0,1.0,0.0,558.7341223153495,23.63755745239659,8.236355148340857,771.8489161146774,27.78216903185706,9.172986750451702,886.8236150892278,29.77958386360071,9.6075447600756,3.546894799571765,3.546894799571765,1919.0235442037745,1889.9056180239568,62.493487862038364,1.01540707953991,30.70757625882943,30.241640892186126,5.191248623886248,6.901696073057126,12.517572780258538,0.8136951624289425,6.135812175590677,8.536735897353479,3.2990795415869036,35.84605018540822,15.41652224519094,0.14356137602956526,5.950185579207464,9.031373116020387,21.5859796575465,1.2713856274672422,2.190334645680714,21.20866241064248,4.6709174909711315,16.956803870182227,2.706616095463924,0.7527423208781139,4.229476653550687,4.699786720645897,5.486966136230032,4.287083639459336,2.590008366788644,0.8296339607482874,0.2823763830192396,2.4509729114244765,1.5611086829557146E-10,2.423946210120688E-42,7.259202141614881E-96,4.19305642628047E-171,4.6714147570249984E-268,0.0,0.5149361979124288,8.536277481826827,0.2294801958423597,8.14921674726104,0.11209190017586339,0.00124131958272532,0.8906466654112617,0.3379472596952994,6.322296711262548,0.046024466162840685,0.01949480040023484,1.278356878190708,0.1512311099385781,4.295801437884373,0.11438497452167844,0.062463040750484276,0.19262003002338313,0.08700827277079784,1.8602780891312385,0.18627976341312186,0.15314091129325583,0.006395500809092864,0.023697580392466215,0.01726240261966175,1.0995016098553814E-12,1.7072051352533226E-44,5.112715423412716E-98,2.953203925674797E-173,3.2901156093287036E-270,0.0,1.662276817780128,8.536308980260062,0.7720158012650224,10.140029090880288,1.140508705716813,0.010951643989502241,1.9233068532197672,1.3676805062260777,8.324227980566071,0.18855249378283184,0.16791155517054573,4.394495877376373,0.6468404475278834,6.389425923225785,0.44355110525306946,0.1921694766395836,0.7198595016781172,0.48343600408675674,2.600545408614079,0.7156614760135485,0.5269004609825131,0.06141166001559921,0.07649888430734192,0.17988754467925333,1.1457654494890148E-11,1.7790393771417576E-43,5.327843663627192E-97,3.0774661837726336E-172,3.428554134167352E-269,0.0,5.791706175940591,8.536685873776557,3.0814320477889567,32.85472730909976,13.738262039241944,0.12800671028562696,5.640409007794132,8.235689212974611,20.257553572061482,1.1583065927850824,1.9531830174354898,19.651735651626804,4.243182990392833,16.008093145513424,2.4771810994614984,0.706523752030964,3.877356132355395,4.2245437187664026,5.264936868373508,3.9271884490297673,2.39707931923059,0.7392516171355188,0.26654005590465923,2.183772737884322,1.3909197310270787E-10,2.1596924335990107E-42,6.467818416824855E-96,3.735937785946478E-171,4.162146446495333E-268,0.0,2.449890184437459,8.536349033987353,1.1694012356458368,12.594191347643577,2.46869490704017,0.02335999288508498,2.6322252628811658,2.2957007886934258,10.029175133410016,0.31834049415191784,0.3572969227149374,6.816314305808646,1.1138325008370664,7.972349123062706,0.7288866387926177,0.2845326924865016,1.1699097377338428,0.9174341755686584,3.108720772532409,1.1704219228105555,0.8201910124923655,0.13273780107329244,0.11274548878907491,0.39073978480929655,2.4887556610632753E-11,3.864311254184387E-43,1.157278837917987E-96,6.684667782582116E-172,7.447277725538277E-269,0.0,7.409881808517357,8.536946045740805,4.138685090970624,48.39279077500683,22.472093416347434,0.2089218041207253,7.097188786082382,12.276592632280913,26.951894519361815,1.7332844167909722,3.1867733877399975,27.355681308147428,6.4261232807729,20.666577446355195,3.636431100350006,0.9283653491353567,5.652425364557811,6.678366622108731,6.309047418859899,5.74320103720865,3.3540078259164483,1.2096782390102505,0.3410113970612709,3.5745136450233277,2.2767302986414686E-10,3.53509774118365E-42,1.0586864092310275E-95,6.115178727692002E-171,6.81281939621458E-268,0.0,3.9220390326965293,8.05851354851277,1.8635496495308894,18.642120391109586,6.031401034337315,0.0564516951065236,3.7904061273991623,4.2248341707364965,13.54827596221988,0.5908108620607517,0.8620419170947575,11.771523996856253,2.1252015750910966,11.389132551508691,1.299436218360583,0.42800972605186427,2.255648849539252,1.9728048736322688,4.883516438969167,2.071174959286423,1.6738373885128197,0.3247414545450158,0.22060496035076044,0.9574112935251862,6.09808079279576E-11,9.468539883283937E-43,2.835625836568313E-96,1.6379126665158085E-171,1.82477138946289E-268,0.0,14.582445501867275,0.781085363124543,0.517444134375,0.9182336413506529,0.04918371593404595,0.5578536014774192,0.6243504826714569,0.6249844532197386,15.880974999366817,19.339903669449146,41.11463707980603,0.8773504620259793,1.8071885373686147,13.175443069211372,0.3221003424957729,0.11730372628649328,0.9677261107430237,0.023658021219857737,0.4555664995617707,0.10609252732709121,0.03211928685651992,13.614847137993639,5.827126863033496,19.939789281953967,0.9515891661145357,0.5937783137453818,13.75116159669741,0.510061603974371,0.28106642569122064,0.9455981107520102,0.03507436704119174,0.4961626003575047,0.26625210271782573,0.18439970388060364,14.542289626363,11.02229057151978,27.535963114551695,0.9183971661280153,0.9468144069559341,14.549268994652806,0.7702767251616462,0.5080120056057954,0.9192365143793212,0.0486668087726841,0.5553219016409603,0.6072056016376949,0.6024073047639381,15.827557725420249,18.98947642078966,40.51030603613924,0.8788547715689817,1.764934808042593,14.000456074219247,0.5913837081632023,0.35196350149613415,0.9368736865884053,0.039573841874724666,0.5142817717103989,0.3579646948381281,0.28915954781206266,14.943803283878585,13.415436652225722,31.27337159503233,0.9053105298826081,1.1614060143605895,14.685796540490355,0.814752274635258,0.5468261210467121,0.9151525778454368,0.05077168557947307,0.5657774263187394,0.6792727433254189,0.6979764693569802,16.047374936172325,20.441391118865468,43.03169706010737,0.8727288667681552,1.9430266390011384,14.601993970474862,0.7718241564357449,0.5096119829969727,0.9193224555045325,0.048593040111298474,0.5593448751892429,0.6096088455633325,0.6062078285907635,15.883430109907579,19.104853620431314,40.73169826815679,0.8789836832567989,1.775161549343339 +UMLCN0280,L,"2,5-dimethylundecane",CCCCCCC(C)CCC(C)C,Alkanes,,C13H28,NREL (2014),Unknown,PubChem,,58,0,0.3724000000000016,0.1386817600000012,53.70360000000001,41.550203999999965,0,0,41,13,28,0,13,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1903.883364999997,2070.1679159999994,2451.664837,2306.5608829999987,2061.5471619999935,1976.7118659999944,1604.3692629999955,1283.6648219999945,947.5529320000002,6376.0645668073275,8294.828079366476,11374.195219972835,12358.369957659846,11409.16178082394,10347.737149429653,9392.601209233597,7661.722100881752,5870.288942730669,286.1437000000001,289.77988800000014,553.0885960000006,756.990092000002,812.6425360000019,689.3151760000011,628.7778520000008,621.5691120000002,437.72814399999976,48.70486133577205,64.64604068000001,95.92638345213086,111.26551045880869,106.23342545578866,94.21680473760075,87.19601573941284,74.14882616184599,56.1178407303191,6826.020885848973,5808.963609041202,12205.399212424134,17551.224321906593,19591.55752917256,16453.810418604204,14773.150812320617,15339.995777236449,10527.055973072922,63.30555555555556,75.91666666666666,121.99999999999997,159.77777777777777,159.08333333333331,138.83333333333331,133.5,118.91666666666669,89.66666666666667,46.43617963414627,51.75419789999999,31.431600474358973,21.35704521296295,17.620061213675157,19.96678652525247,17.826325144444393,14.262942466666605,15.040522730158733,155.51376992212994,207.3707019841619,145.82301564067737,114.42935145981339,97.51420325490548,104.52259746898639,104.36223565815108,85.13024556535281,93.17918956715347,6.9791146341463435,7.244497200000003,7.090879435897444,7.009167518518537,6.945662700854717,6.962779555555566,6.986420577777787,6.906323466666669,6.948065777777774,1.1879234472139524,1.6161510170000004,1.2298254288734727,1.0302362079519323,0.907977995348621,0.9516848963394016,0.9688446193268093,0.8238758462427332,0.8907593766717318,166.48831428899933,145.22409022603006,156.4794770823607,162.51133631394993,167.44920965104754,166.2001052384263,164.14612013689575,170.44439752484942,167.09612655671305,1.5440379403794038,1.8979166666666665,1.5641025641025637,1.4794238683127572,1.3596866096866096,1.4023569023569022,1.4833333333333334,1.3212962962962964,1.4232804232804233,0.056934934699465437,-0.0069605563190181475,-0.012536695442449841,-0.01709707936131295,0.0040143293691069365,0.009765301523464415,-0.017962041059974787,0.011280958653766295,-0.006611869627490845,1074.8299335609747,-56.463861425343936,-240.61959314039456,-347.9297379411091,101.18842513087432,112.42358123081513,-360.31721774360693,209.57887340273757,-130.86076047174282,1998.6921583384633,-104.99696141365303,-447.4424082691499,-646.9902048333653,188.16419743135555,209.05644995754204,-670.025252490442,389.7208644307787,-243.34117205179393,0.2105518048780482,-0.01106088280784821,-0.04713572635335746,-0.06815704699583441,0.019822117787030243,0.02202300773349152,-0.07058366924449692,0.04105506246281732,-0.025634724568709657,8.935083894756966,-0.4693852702686331,-2.000275749958635,-2.8923472457498582,0.8411815111319639,0.934579600624206,-2.9953246264720708,1.7422335924512617,-1.0878482603037676,48.5355175267178,-2.549708237801995,-10.865529620528875,-15.711276143900974,4.569311319019163,5.07665122347949,-16.270650910357208,9.46384052551293,-5.909209015414419,4.345528455284551,-1.6697567585431958,0.32639302002776244,-1.4982483971181217,-0.04293079516161353,1.7896589331746968,-2.0958754709498355,1.3085960737656166,-0.8134542930795184,0.001388656943889401,-1.7401390797545368E-4,-1.6072686464679284E-4,-1.583062903825273E-4,3.4310507428264414E-5,9.863940932792338E-5,-1.9957823399971986E-4,1.2534398504184771E-4,-1.0495031154747374E-4,26.215364233194506,-1.4115965356335984,-3.084866578723007,-3.2215716476028624,0.8648583344519173,1.1355917296041933,-4.003524641595632,2.3286541489193064,-2.077154928122902,48.7485892277674,-2.6249240353413255,-5.736441131655768,-5.990650044753382,1.6082410036867996,2.1116813127024447,-7.444725027671577,4.330231827008652,-3.8625582865364114,0.005135409875074346,-2.7652207019620526E-4,-6.043041840174033E-4,-6.310837684799482E-4,1.6941981014555763E-4,2.2245462357062143E-4,-7.842629916055214E-4,4.5616736069797024E-4,-4.069003899795184E-4,0.21792887548187723,-0.011734631756715828,-0.025644560896905578,-0.02678099301620239,0.007189585565230461,0.00944019798610309,-0.033281384738578564,0.01935815102723624,-0.017267432703234407,1.183793110407751,-0.06374270594504987,-0.13930166180165224,-0.1454747791101942,0.03905394289759968,0.05127930528767162,-0.18078501011508008,0.10515378361681034,-0.09379696849864157,0.1059884989093793,-0.041743918963579894,0.004184525897791826,-0.013872670343686312,-3.66929873176184E-4,0.018077362961360574,-0.02328750523277595,0.014539956375173517,-0.012911972906024102,-0.125310940719505,-0.11574267161810546,-0.11399956704867459,0.02470769154271198,0.07103223712809194,-0.14372032983231545,0.09026274314430727,-0.07557684567761212,-0.05384615384615568,-0.11767399267399371,-0.12288868538868643,0.0329905137597445,0.04331779331779341,-0.15271672771672865,0.08882783882783937,-0.07923425780568633,-0.05384615384615393,-0.11767399267399245,-0.12288868538868573,0.03299051375974464,0.04331779331779354,-0.1527167277167281,0.08882783882783903,-0.07923425780568605,-0.05384615384613327,-0.11767399267398392,-0.12288868538868321,0.03299051375974248,0.04331779331779256,-0.15271672771672729,0.08882783882783382,-0.07923425780568832,-0.053846153846150914,-0.11767399267399127,-0.12288868538868533,0.032990513759744246,0.043317793317793396,-0.152716727716728,0.08882783882783835,-0.07923425780568648,-0.05384615384616831,-0.11767399267399904,-0.12288868538868775,0.032990513759746216,0.04331779331779414,-0.15271672771672887,0.08882783882784273,-0.07923425780568508,-0.3938532896788279,0.039480943129212694,-0.1308884500340694,-0.0034619782047287124,0.1705596658823974,-0.21971728510549893,0.13718428437792343,-0.12182428319004597,1.6492978546237882,1.2477184123549854,1.1578608095231366,0.8717400957484954,0.8584643081315293,1.1801923405466357,0.7426174191748036,1.0462865199531894,1.5769230769230793,1.328543251620177,1.16809116809117,0.885695501080118,0.9102009102009118,1.1514041514041535,0.7509157509157522,1.0012210012210028,1.576923076923077,1.3285432516201747,1.1680911680911679,0.8856955010801164,0.9102009102009102,1.1514041514041513,0.7509157509157509,1.0012210012210012,1.5769230769230789,1.3285432516201765,1.1680911680911705,0.8856955010801177,0.9102009102009113,1.151404151404153,0.7509157509157518,1.0012210012210023,1.576923076923079,1.3285432516201752,1.1680911680911679,0.8856955010801166,0.9102009102009108,1.1514041514041518,0.750915750915752,1.0012210012210025,1.5769230769230804,1.328543251620177,1.1680911680911699,0.8856955010801179,0.9102009102009119,1.1514041514041533,0.7509157509157525,1.0012210012210034,2.0007795447458694,0.8555803410808088,1.1269329822494778,0.7998528859146261,0.6740936020636675,1.3892526764369613,0.6562727367217547,1.2053989041828148,103.74800729470735,51.874003647353646,80.52455498763395,103.74800729470729,7.980615945746715,51.874003647353646,-4.973799150320701E-14,0.0873414513537712,0.006718573181059322,-3.1693091479096465,82.19507828607476,6.322698329698058,5.73182405302558,103.74800729470735,51.874003647353646,80.52455498763395,103.74800729470729,7.980615945746715,51.874003647353646,-4.973799150320701E-14,0.0873414513537712,0.006718573181059322,-3.1693091479096465,82.19507828607476,6.322698329698058,5.73182405302558,103.74800729470735,51.874003647353646,80.52455498763395,103.74800729470729,7.980615945746715,51.874003647353646,-4.973799150320701E-14,0.0873414513537712,0.006718573181059322,-3.1693091479096465,82.19507828607476,6.322698329698058,5.73182405302558,103.74800729470735,51.874003647353646,80.52455498763395,103.74800729470729,7.980615945746715,51.874003647353646,-4.973799150320701E-14,0.0873414513537712,0.006718573181059322,-3.1693091479096465,82.19507828607476,6.322698329698058,5.73182405302558,103.74800729470735,51.874003647353646,80.52455498763395,103.74800729470729,7.980615945746715,51.874003647353646,-4.973799150320701E-14,0.0873414513537712,0.006718573181059322,-3.1693091479096465,82.19507828607476,6.322698329698058,5.73182405302558,103.74800729470735,51.874003647353646,80.52455498763395,103.74800729470729,7.980615945746715,51.874003647353646,-4.973799150320701E-14,0.0873414513537712,0.006718573181059322,-3.1693091479096465,82.19507828607476,6.322698329698058,5.73182405302558,124.04544936832785,61.87422041065965,97.12599620625956,123.794134443936,9.522625726456615,61.87422041065965,-0.29700854700854507,0.0598319893117496,0.0046024607162884305,-3.6610792695496226,78.42449126548615,6.032653174268166,5.670777147312668,0,11.889999999999999,12.110219518117958,-0.1647185427302309,0.056101991070604235,5.146641098201463,8.860212420823151,12.0,40.0,40.0,40.0,12.0,0.0,0.0,0.0,0.0,0.0,30.609795999999992,3.584894206139581,3.4186019098533817,3.246059560489893,2.916530391981262,2.5541077284301297,2.398561155494726,2.3335527931030486,1.937550255373352,1.9655187765846325,1.860969263933726,1.7370649282413122,1.527725028437154,1.3092834213991758,1.249629722584357,1.215826972364398,0.9238547647618435,3.6104627070759325,3.448724640631209,3.2792935312518905,2.9592348007994365,2.608594473415592,2.4598474617775845,2.4054545878412834,2.0141818966219227,1.9095392397134316,1.796964332144888,1.6661131126981066,1.4424931516866428,1.2078221014262494,1.1345406859483518,1.1094308820781895,0.7998596138765101,3.722987621617445,3.580808223738936,3.4257457075198037,3.145619692985785,2.8441510940205457,2.720272192519431,2.7042369872335215,2.3352854818754567,1.7454779952896498,1.6070785486173285,1.4549600124356266,1.1823519968039273,0.8899889501253169,0.770120208679581,0.7603185604308982,0.3958181765838854,3.629302831612874,3.4709007052407594,3.303808608169924,2.9906575453875286,2.648595069690191,2.504589130337905,2.4575399160416964,2.0698957042189385,1.8739503864778664,1.7560571376603968,1.620680609433902,1.3873407764842753,1.1414663333756658,1.0582626705327125,1.0394042934356622,0.7175770771936503,3.7778738324788677,3.6448264007383995,3.4969574309148586,3.234855558596245,2.9551135394788877,2.8405112481537396,2.838982085149649,2.4807732603352988,1.6944571399447095,1.5474129553661484,1.3886360498742236,1.0987256869236852,0.7853222107666553,0.6559126225598977,0.6313372621875625,0.2566764042326984,3.6175075568301076,3.49213404661051,3.3592309375314042,3.065124916589503,2.755513756131489,2.6803227147912767,2.6127846493517963,2.1643045965796692,1.8717662515437772,1.7212323440717603,1.551910822159939,1.2905086846398148,1.0114069610974235,0.8977085135082589,0.837803029751906,0.586159546240726,0,0,0,0,0,4,7,2,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696923425058676,0.0,0.0,0.0,0.696923425058676,0.0,0.0,0.0,0.696923425058676,0.5731929314592376,0.8076775358252054,0.696923425058676,0.5731929314592376,0.8076775358252054,10.104448006685086,6.163902460147015,4.925704141204152,2.787293031334987,1.6817646726185458,1.2796694075041228,0.5740539442948837,0.3847796894370765,0.7772652312834681,0.5136585383455846,0.37890031855416556,0.25339027557590793,0.1681764672618546,0.1279669407504123,0.08200770632784052,0.06412994823951275,10.104448006685086,6.163902460147015,4.925704141204152,2.787293031334987,1.6817646726185458,1.2796694075041228,0.5740539442948837,0.3847796894370765,0.7772652312834681,0.5136585383455846,0.37890031855416556,0.25339027557590793,0.1681764672618546,0.1279669407504123,0.08200770632784052,0.06412994823951275,20.58558925300222,39.42971595047344,37.15686274509803,37.64,24.179762874251523,315.6528766467066,0.5020875427561516,0.9617003890359375,0.906264945002391,0.9180487804878049,0.5897503140061348,7.698850649919673,5.029100000000005,61.99500000000006,51.874003647353646,80.52455498763395,103.74800729470729,7.980615945746715,51.874003647353646,0.0873414513537712,0.006718573181059322,-3.1693091479096465,82.19507828607476,6.322698329698058,5.73182405302558,182,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,7.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.337423705593348,0.0,9.984476358444613,0.0,0.0,0.0,1.8447666026287055,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2799518927941547,0.0,1.3614831611657008,0.0,0.0,0.0,0.8871220448055763,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4110374149659863,0.0,1.451489984882842,0.0,0.0,0.0,0.9576445578231291,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.166666666666668,1.6282051282051282,0.2,2.4110374149659863,0.2,0.8871220448055763,9.63031045170383,0.4462112885277569,0.4110374149659864,2.674847411186697,0.4462112885277569,0.4110374149659864,2.674847411186697,6.5,0.5,0.0,0.0,0.42683,0.7,0.42683,0.42683,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.30769,0.15385,0.0,6.0,0.46154,6.0,0.46154,0.0,0.0,-6.0,-0.46154,0.0,0.0,16.82868,1.29451,16.82868,0.0,0.0,6.16389,0.47415,6.16389,0.0,0.0,0.25011,0.01924,0.25011,0.01924,0.0,12.0,0,0,0,0,0,0,1.0,0.9011701959974223,1.35127341261769,2.6115231893997732,3.343687979489095,3.323794004977739,3.0827477169457826,36.947978035894316,55.40220991732529,107.0724507653907,137.09120715905289,136.2755542040873,126.39265639477709,0.16820559001959007,0.25221844070816746,0.48744710030788346,0.6241074238023102,0.6203941654906395,0.575402294609278,4.4563818086206615,4.006278592000394,2.7460288152183105,2.013864025128989,2.0337579996403448,2.274804287672301,0.16933152420137976,0.25390673991176677,0.49070997255836574,0.62828507260391,0.6245469584925097,0.579253921131948,6.683794723801698,12.085033323244913,17.480379693710027,17.682070039735457,17.635246279097693,16.549067316969055,51.50405783451427,39.219968184252856,32.103962743990735,29.73059075361342,30.70441464623305,32.54898976896281,13.0,8.591715976331361,9.917355371900827,13,0,11,2.8899999999999997,1.9403000000000008,1.0490750933266733,6.706654294902342,2.889137892242401,0.0,8.073660071953366,4.799845794385868,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.121,0.10400000000000001,0.049000000000000044,0.010000000000000009,5.805,13.0,11.0,10.0,10.0,7.0,6.0,4.0,3.0,2.0,91.0,2.5649493574615367,2.6390573296152584,2.4849066497880004,2.3978952727983707,2.3978952727983707,2.0794415416798357,1.9459101490553132,1.6094379124341003,1.3862943611198906,1.0986122886681098,4.5217885770490405,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.6666666666666666,12.0,1.0,1,5.0,10.0,1.0,2.5,0.8888888888888893,0.375,0.40000000000000013,0.1666666666666667,0.12244897959183672,0.0625,0.049382716049382706,0.04000000000000001,0.0,0.20833333333333334,0.06837606837606841,0.03409090909090909,0.040000000000000015,0.01666666666666667,0.017492711370262388,0.010416666666666666,0.012345679012345677,0.013333333333333336,0.0,0.4210553678495855,51.874003647353646,80.52455498763395,103.74800729470729,7.980615945746715,51.874003647353646,0.0873414513537712,0.006718573181059322,-3.1693091479096465,82.19507828607476,6.322698329698058,5.73182405302558,0.0,233.40425883706678,4.700439718141093,3.9318256327243257,4.59511985013459,5.3230099791384085,6.013715156042802,6.744059186311348,7.448333860897476,8.178358165605836,8.890548245606167,9.619863900211849,85.74483397667281,3.2188758248682006,0.0,4.343805421853684,0.0,5.602118820879701,0.0,6.920671504248683,0.0,8.275121630216509,8.57922858233569,184.219100896,4.493148802341463,24.483338531388107,1.8833337331837006,0.0,0.0,0.0,324.0,11.0,7.615,50.0,1.2359999999999998,2.1338629731300025,2.8860563617412645,3.5448782388209503,4.59343162173992,5.71728893405103,6.682930064115333,8.052877730547596,9.147266936948087,10.488769251385584,75.34690914569995,75.68515800924362,71.58921524781161,78.69584755942891,111.52993872467508,120.06229053247169,113.87907609257846,138.29664800302874,131.97652064032448,152.93889574976296,282.8961702235399,335.64228780000605,356.4825701183324,395.84069017797407,542.3425949449801,653.6755848961471,631.4901541130065,807.841646998323,795.3681299401261,943.715264729049,8.990608851600005,15.185920609695344,20.27947556680394,24.75052608641194,32.14679577949565,40.09348950359249,46.33482773519185,56.116152606049575,63.26152843786729,72.72038343330605,2.141810781920999,2.77327553742081,3.126757611505098,3.5364121658653875,4.768451589669897,5.902895843423472,5.916922483791906,7.549663519604007,7.675510819492826,9.07726364033685,177.23011822064137,329.961356478386,465.50661099191467,584.0848223594629,751.318574552358,927.3681273682773,1125.5301968286701,1333.2939388873476,1552.0708302939147,1765.0515254246254,2.40194375,3.4411519006068,4.362181831563668,5.013485926182804,6.722662252387139,8.710819369226916,9.143764325488023,11.743351616333687,12.4029446154236,15.205031171026071,0.4439902499999998,0.5846461188862244,0.6666857853445548,0.7572073132894249,1.0180712101056921,1.2643899224939996,1.2779008461220434,1.6274654420724484,1.6656353827400423,1.967333072672835,553.4051594980075,391.1139365317869,13.659958483442917,174.7287075082754,-123.48788486298679,-10.480124575706883,378.6764519897321,514.6018213947737,24.140083059149802,0.7600321652024357,0.5371456462255341,0.018760229543512016,0.23996783479756437,-0.16959502978580893,-0.014393128860762704,402.95303880651295,284.7833030469399,9.946278393694572,127.2258894750103,-89.91571113371319,-7.630933634017033,0.04192956005804724,0.09220620226312794,0.49439361155122397,6.124294635076028,728.1338670062829,0.0,1.0,0.0,744.9788297537992,27.294300316252826,9.065281831960075,1016.2158400438528,31.878140473431834,10.053763233611223,1328.0426531916517,36.44231953638039,10.99184699772968,2.7791676761857644,2.7791676761857644,2957.1647023700393,2854.250150639539,172.0633694226908,1.036056598510625,17.186486073659697,16.588366020124766,6.2152971593658854,6.901696073057126,13.741761268236147,0.9910701837308223,7.809215496207035,11.382324407127337,4.5415860133625685,47.82635207577324,17.13170475423029,9.182977627556443,10.343045206715468,15.99396057901624,28.134552042980808,7.094411091050264,6.518022903022272,29.16038209033005,9.64187109084492,26.518504354568186,4.249603325336013,4.29770190006981,9.076211258401331,6.942890593356373,13.618505357475179,5.837138847393335,3.9876347527929523,1.604010365717823,5.308992496903478,0.7342981997984919,3.5613483077654577,0.485123806686541,0.002541068546941153,2.1493749366309443E-25,3.5080067057873627E-69,1.104293599754945E-134,0.6553733427983569,11.381703346579425,0.2942559078589004,13.748806267530464,1.609033770501064,0.2672976876279549,1.1175696329348075,0.8694442126139047,7.605390854458814,0.3035217281549604,0.19751899836340267,2.5318864367277025,0.39510207496394095,6.0916638310979945,0.14688201504391418,0.18166845522906366,1.2481845676508445,0.10359396828118975,3.6684100689820935,0.256169304580936,0.2366002747471244,0.4119446751315405,0.13512198684817228,0.6631245355814951,0.23607967420014433,0.0034167679932935653,1.7896953547301038E-5,1.5138223422946472E-27,2.4707178062029236E-71,7.777630115955225E-137,2.1156250408117923,11.381745949508112,1.0071468739080796,17.201527987301997,2.662286094986738,1.1943501288003189,2.649721053049317,2.997586632921641,10.354306388060744,1.171217880398858,0.8639486266501311,6.331083863921866,1.548282318470882,9.268996071100505,0.6123672238115789,0.691152940546178,2.2388176055853957,0.650089941271483,5.376332930942546,0.9809381875334665,0.8088374246486705,0.5828613392197253,0.6407380920281456,0.6775330840594124,0.8034744200546822,0.03560534618131502,1.8650005458659157E-4,1.5775195969871098E-26,2.574678447407596E-70,8.104890239259273E-136,7.37126240574329,11.382256610123042,4.227059228672018,44.50082174588078,15.43311054310762,8.32131315134635,9.654108473753151,14.728752904351275,26.367808090280043,6.49526050215624,5.91043471992977,26.951354951436784,8.81602571163642,24.91697275320948,3.8668478239889037,3.9287356385602306,8.382165765190251,6.2236510088789245,12.895064262512077,5.3488657065922975,3.6895703526579653,1.5054169263372346,4.797509849261825,0.7298987190670446,3.3183810365206172,0.43223657874469473,0.002264046327089081,1.9150543721752307E-25,3.125570818308852E-69,9.839057161849412E-135,3.118042052921123,11.381800186533088,1.5422736131846255,20.611895271176518,4.013374016616619,2.095841655110075,3.8057036918650105,4.7432644943817905,12.669369019139117,1.920808307964472,1.5066270434547175,9.424949171690123,2.5579280620103395,11.744746116843015,1.0423531300929176,1.1390854945922606,3.099156503411086,1.2774913573497235,6.644704613976071,1.601520957371678,1.2590933497071701,0.7216901079947428,1.151276951470171,0.6874595869931645,1.2260392462097913,0.07733956639008581,4.0510303993543465E-4,3.426583363279857E-26,5.592545633367602E-70,1.7604904628821582E-135,9.430758665386445,11.382609237469293,5.768027184333095,61.54645723126167,24.270481445187936,12.731960634843556,13.034841882809237,21.063699817635783,35.25503483889642,9.521052506201974,9.018181631784238,37.9966556720188,12.994548241560281,32.84680625809022,5.816185050428083,5.796646305274875,11.88986051811637,9.947154758291386,16.426865024241724,7.811459367582424,5.168928781027657,1.9981425748929387,7.423897438700594,0.7506355024937026,4.505678755928819,0.7075074749293606,0.0037059096620948666,3.1346613434390065E-25,5.11609809240303E-69,1.6105084319931753E-134,5.014711147542103,10.107326288797196,2.336959560046802,28.317387133789712,7.61608060798579,4.434030925154055,5.615013883930515,8.383780503478265,16.695523414157996,3.614010675729998,3.1674222810475823,15.312251597321255,4.82672046110185,16.086496522387755,1.8825095744482228,2.1329848334304304,5.132851397993606,2.7547750565354803,9.428240317446448,2.8740733433475345,1.9420364321276546,1.271270271994019,2.4199757692943926,1.0490459651716026,2.3786196045622523,0.18299295351419428,9.585133014811815E-4,8.107630426227705E-26,1.3232508399783193E-69,4.1654921327478985E-135,16.718977932224817,1.3055105627109458,0.6165418107372523,0.8968913015036909,0.0700342492503561,0.5363158066433587,0.40709108560196416,0.4269795383360501,18.641030305673016,32.93965306253118,65.03781957360628,0.8453369522555363,1.3703864305813729,15.306183559797736,0.746352338229783,0.18766780183892312,0.942487165966004,0.04595707985090858,0.44949543854573765,0.13253150290541585,0.03960608387978146,16.24020369986644,14.43635001515253,32.82043425488518,0.913730748949006,0.621633025330935,15.880501397355534,0.9737132591639512,0.36203376128992165,0.9224135834917376,0.05655780722568398,0.4838619621634808,0.2259556793627744,0.14732142358827466,17.216248417809407,21.56484949846421,44.37924579669405,0.8836203752376064,0.8571390651145299,16.685303196689823,1.2921879881205993,0.6063215507125396,0.8978406871694237,0.06953298585766428,0.5341569853390855,0.3987910154881145,0.4129514760397753,18.58381273552296,32.46068870200809,64.117126558783,0.8467610307541354,1.3458994768669752,16.130801384455125,1.0727772731000627,0.43801581467446954,0.9143618741405302,0.06080954160854137,0.49923692463636665,0.2744614275872268,0.21560519674026818,17.641594472229656,24.84019664313984,50.06154840396506,0.8715428112107954,0.9893035489638615,16.82399450711335,1.347056211388646,0.6484136308107971,0.8939677662891446,0.07157781892117639,0.5430762592207129,0.4335269159557334,0.4722284096420257,18.819464349312796,34.44522327320652,67.95959904544418,0.8409516494337169,1.448831584818472,16.731340096709587,1.298163888169308,0.6077913658243381,0.8977343429865359,0.06965409217063918,0.537109989012805,0.40249940708733484,0.4146804257320535,18.637295350703234,32.67819836633245,64.51673525890206,0.8466015144798039,1.3542898218321935 +UMLCN0281,L,3-methylheptane,CCCCC(C)CC,Alkanes,,C8H18O,Marquardt (2015),IQT,PubChem,,45,0,-0.37239999999999984,0.13868175999999988,33.5193,26.082273999999977,0,0,26,8,18,0,8,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1172.4021199999981,1227.7764309999995,1362.056142999998,1256.2310939999968,947.5529320000002,684.2500590000005,357.28274500000043,93.979872,9.144576,3947.6426137513863,5029.877406914643,6581.3322482219155,6822.461001246645,5870.288942730669,4361.573366138026,2849.893907865307,1341.1783312726463,279.75369987837234,181.25648000000004,180.90098800000004,339.4173399999999,440.17058399999974,437.7281439999998,372.44823599999995,249.07344400000022,183.79353600000007,60.46617599999999,30.314232287281975,39.56609758000001,56.48150844303706,62.1442777309231,56.11784073031911,43.08272344001706,29.05325415213098,16.018136861829007,4.001516143641,4342.872585156482,3643.766351462201,7578.921304906439,10347.219172581725,10527.055973072922,9238.871443902419,6090.1905079571325,4802.005978786629,1664.258868218241,40.77777777777778,48.5,74.50000000000001,91.91666666666669,89.58333333333334,72.0,52.0,33.0,9.0,45.09238923076916,49.11105723999998,28.37616964583329,19.940176095238044,15.040522730158733,12.671297388888899,9.924520694444457,3.480736,1.016064,151.83240822120717,201.19509627658573,137.11108850462324,108.29303176581976,93.17918956715347,80.76987715070419,79.16371966292519,49.67327152861653,31.08374443093026,6.971403076923078,7.236039520000002,7.071194583333331,6.986834666666662,6.948065777777775,6.8971895555555545,6.918706777777784,6.8071680000000026,6.718463999999999,1.1659320110493068,1.5826439032000004,1.176698092563272,0.9864171068400492,0.8907593766717319,0.7978282118521678,0.8070348375591938,0.5932643282158891,0.444612904849,167.033560967557,145.75065405848804,157.89419385221748,164.24157416796388,167.09612655671305,171.09021192411888,169.17195855436478,177.85207328839368,184.917652024249,1.5683760683760684,1.94,1.5520833333333337,1.4589947089947093,1.421957671957672,1.3333333333333333,1.4444444444444444,1.2222222222222223,1.0,0.036687857443027085,-0.0058509722140217746,-0.0100223782350242,-0.003618442467173987,-0.006221560150621278,0.00641005525231665,-0.006826658681482918,0.0030577803904512516,0.004728247384042702,670.519434461538,-58.02572028994014,-166.91349169822433,-116.0514405798815,-134.6769804260356,88.11313081065055,-136.8260811775149,85.96403005917115,103.15683607100566,1246.859520586465,-107.9013046661365,-310.38276527419487,-215.802609332273,-250.43759601523047,163.85012930783654,-254.43394063249443,159.85378469057252,191.82454162868686,0.13135015384615364,-0.011366840236684104,-0.03269720710059003,-0.02273368047337239,-0.026382295857988628,0.017260757396448403,-0.026803289940829,0.016839763313608012,0.020207715976330587,5.57404219300985,-0.4823690359335299,-1.3875553749693217,-0.9647380718670887,-1.1195725772284795,0.7324863138250032,-1.1374380970778692,0.7146207939756122,0.8575449527707408,30.27828565910215,-2.6202362589608965,-7.537222818985997,-5.240472517921537,-6.08153600845209,3.978877282125675,-6.178581795821019,3.8818314947567703,4.658197793708065,3.0170940170940157,-1.157462195923734,-0.4033530571992115,0.23422090729782996,-0.8939842209072997,0.9901380670611435,-0.562130177514794,-0.09467455621301879,0.3786982248520708,0.0014110714401164262,-2.3403888856087098E-4,-2.0879954656300416E-4,-5.743559471704741E-5,-9.875492302573456E-5,1.1870472689475277E-4,-1.8962940781896994E-4,1.1325112557226858E-4,5.25360820449189E-4,25.789209017751464,-2.3210288115976057,-3.4773644103796735,-1.8420863584108174,-2.1377298480323113,1.6317246446416769,-3.800724477153192,3.183852965154487,11.461870674556184,47.95613540717173,-4.31605218664546,-6.46630760987906,-3.4254382433694124,-3.97519993674969,3.0342616538488247,-7.067609462013734,5.920510544095278,21.313837958742983,0.005051928994082832,-4.5467360946736417E-4,-6.811918145956256E-4,-3.6085207100591094E-4,-4.187666009204544E-4,3.1964365548978527E-4,-7.445358316896944E-4,6.236949375410375E-4,0.002245301775147843,0.21438623819268654,-0.0192947614373412,-0.028907403645194202,-0.015313302728049026,-0.017770993289340942,0.013564561367129689,-0.03159550269660748,0.026467436813911564,0.09528277253008231,1.1645494484270058,-0.10480945035843586,-0.1570254753955416,-0.08318210345907202,-0.09653231759447763,0.07368291263195695,-0.17162727210613943,0.14377153684284336,0.5175775326342295,0.11604207758053907,-0.046298487836949356,-0.00840318869165024,0.0037177921793306343,-0.014190225728687297,0.018335890130761916,-0.015614727153188722,-0.0035064650449266217,0.042077580539118975,-0.16585899332039536,-0.14797234259505407,-0.0407035342677678,-0.06998577125023973,0.08412382500276425,-0.13438682296859739,0.08025895950592292,0.37231341058525147,-0.08999999999999898,-0.13483796296296263,-0.07142857142857137,-0.08289241622574968,0.0632716049382714,-0.14737654320987675,0.12345679012345621,0.4444444444444436,-0.0900000000000001,-0.134837962962963,-0.0714285714285715,-0.08289241622574967,0.06327160493827153,-0.14737654320987653,0.12345679012345685,0.4444444444444443,-0.08999999999998204,-0.13483796296295622,-0.07142857142857031,-0.08289241622575114,0.06327160493826695,-0.14737654320988006,0.1234567901234463,0.4444444444444281,-0.08999999999999725,-0.13483796296296194,-0.07142857142857137,-0.08289241622574994,0.06327160493827082,-0.14737654320987711,0.12345679012345513,0.4444444444444417,-0.09000000000000459,-0.1348379629629647,-0.07142857142857158,-0.08289241622574886,0.06327160493827275,-0.14737654320987562,0.12345679012345948,0.4444444444444484,-0.3989801699716714,-0.07241501416430605,0.03203831107513823,-0.12228517469310701,0.15801070192005034,-0.13456090651558106,-0.03021718602455181,0.3626062322946175,1.7010056828114504,1.2437129617530769,1.0199798531198507,1.011731570328524,0.7379665683495219,1.0850447991726149,0.5876669810203194,1.5520168330150394E-8,1.625000000000002,1.3165509259259276,1.0747354497354513,1.0030864197530878,0.7523148148148158,1.0030864197530875,0.5015432098765435,0.0,1.6249999999999982,1.316550925925924,1.0747354497354482,1.003086419753085,0.7523148148148141,1.0030864197530855,0.5015432098765429,0.0,1.6250000000000002,1.3165509259259258,1.0747354497354495,1.0030864197530862,0.7523148148148149,1.0030864197530864,0.5015432098765434,0.0,1.6249999999999991,1.3165509259259254,1.074735449735449,1.003086419753086,0.7523148148148143,1.0030864197530858,0.5015432098765429,0.0,1.6249999999999991,1.316550925925925,1.0747354497354489,1.0030864197530855,0.7523148148148144,1.0030864197530858,0.5015432098765428,0.0,2.007082152974505,0.949451133144476,0.84395656279509,1.0960474841494676,0.6393610324205228,1.3234773371104822,0.9206798866855528,0.0,39.52559662253776,19.762798311268885,30.51630347207011,39.52559662253776,4.94069957781722,19.762798319332692,7.105427357601002E-15,0.08223418383364317,0.010279272979205396,-1.9985473613146967,56.59442820477872,7.07430352559734,3.228728431001409,39.52559662253776,19.762798311268885,30.51630347207011,39.52559662253776,4.94069957781722,19.762798319332692,7.105427357601002E-15,0.08223418383364317,0.010279272979205396,-1.9985473613146967,56.59442820477872,7.07430352559734,3.228728431001409,39.52559662253776,19.762798311268885,30.51630347207011,39.52559662253776,4.94069957781722,19.762798319332692,7.105427357601002E-15,0.08223418383364317,0.010279272979205396,-1.9985473613146967,56.59442820477872,7.07430352559734,3.228728431001409,39.52559662253776,19.762798311268885,30.51630347207011,39.52559662253776,4.94069957781722,19.762798319332692,7.105427357601002E-15,0.08223418383364317,0.010279272979205396,-1.9985473613146967,56.59442820477872,7.07430352559734,3.228728431001409,39.52559662253776,19.762798311268885,30.51630347207011,39.52559662253776,4.94069957781722,19.762798319332692,7.105427357601002E-15,0.08223418383364317,0.010279272979205396,-1.9985473613146967,56.59442820477872,7.07430352559734,3.228728431001409,39.52559662253776,19.762798311268885,30.51630347207011,39.52559662253776,4.94069957781722,19.762798319332692,7.105427357601002E-15,0.08223418383364317,0.010279272979205396,-1.9985473613146967,56.59442820477872,7.07430352559734,3.228728431001409,47.96663101669348,23.886093286124524,37.512825130756354,47.82079768336015,5.9775997104200185,23.88609328624202,-0.1944444444444393,0.0606986165415585,0.007587327067694813,-2.24146749833081,35.64509479483856,4.45563684935482,2.85888923518464,0,11.89,12.110114161591724,-0.1691480378551553,0.051292577872934626,5.1662892791285415,8.113568414860612,7.0,25.0,25.0,25.0,7.0,0.0,0.0,0.0,0.0,0.0,19.677725999999996,3.5293320720382892,3.1950582115117236,2.7559484034352817,2.4934527418990506,1.9322182730132251,1.6807313918296996,1.269169756892211,0.9285489711227074,1.9320889457807546,1.7261470671598722,1.4639143180825598,1.2974427617878495,0.9423328324643808,0.8055866374831433,0.5844156860079662,0.3611470088261123,3.556432943096495,3.2318896957368457,2.807379491773158,2.5536742756727766,2.012096202795974,1.7723836876233607,1.3825361725529803,1.0566282888534333,1.8730694459724375,1.6510272042177707,1.3686542075772203,1.1924972635143118,0.817048643012954,0.6698025618760798,0.4329363052136334,0.20067391157711165,3.6757221762553436,3.3926247200611055,3.0283956792275166,2.809477666289922,2.3438514641643273,2.147975037925781,1.8343017053809496,1.5568491099359645,1.6995538224089444,1.4243804319951807,1.0712660368687128,0.8584685330799845,0.4059121009177224,0.21730660531775828,0.08440613378939742,0.3546312519789725,3.5764058206371927,3.2589750591247393,2.8450420206170723,2.597623259064105,2.069990728138932,1.8385283244393815,1.463572978990382,1.1475084469387127,1.835492375086268,1.6026665770702997,1.306472480649653,1.1234763622279553,0.7337064744466314,0.5789684453323206,0.3307276698793997,0.0919182891861281,3.7338674564365513,3.4698554664034496,3.132152305193547,2.9276806473284793,2.492786237450896,2.3138823921694676,2.0278529897714392,1.7669797497380773,1.6454816182471805,1.3521399874792563,0.9733351939975259,0.7462467522241202,0.2630452049383078,0.05726589851029427,0.27299397808772236,0.5606220165137809,3.5611143883072325,3.3123884020274335,2.974505452361921,2.720785426079825,2.1767440825565245,1.938015646285814,1.5680481031045512,1.2558469206686518,1.8360415730458894,1.536097577370804,1.1686875123496654,0.9766975195287656,0.5978099453728435,0.44573148126810075,0.19353541149138023,0.04715259903550018,0,0,0,0,0,3,4,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.49279927982674443,0.348461712529338,0.2886751345948129,0.49279927982674443,0.348461712529338,0.2886751345948129,6.405777393935816,3.808060412490447,2.655648531174489,1.7474002407106257,0.7567100029932011,0.49279927982674443,0.14433756729740646,0.0,0.800722174241977,0.5440086303557782,0.3793783615963556,0.29123337345177097,0.18917750074830028,0.1642664266089148,0.14433756729740646,0.0,6.405777393935816,3.808060412490447,2.655648531174489,1.7474002407106257,0.7567100029932011,0.49279927982674443,0.14433756729740646,0.0,0.800722174241977,0.5440086303557782,0.3793783615963556,0.29123337345177097,0.18917750074830028,0.1642664266089148,0.14433756729740646,0.0,12.876450234072873,24.99053168244719,23.52941176470589,23.84,15.18699041916167,200.51160119760482,0.49524808592587977,0.9611742954787381,0.9049773755656112,0.916923076923077,0.5841150161216027,7.711984661446339,3.2227000000000023,38.98,19.762798311268885,30.51630347207011,39.52559662253776,4.94069957781722,19.762798319332692,0.08223418383364317,0.010279272979205396,-1.9985473613146967,56.59442820477872,7.07430352559734,3.228728431001409,63,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,4.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.8456018518518515,0.0,5.534074074074074,0.0,0.0,0.0,0.9536574074074073,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.252361111111111,0.0,1.3472222222222223,0.0,0.0,0.0,0.9536574074074073,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3290277777777777,0.0,1.4236111111111112,0.0,0.0,0.0,0.9536574074074073,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.333333333333332,1.6666666666666665,0.2,2.3290277777777777,0.2,0.9536574074074073,6.030028101851852,0.37967592592592597,0.3290277777777778,1.6912037037037038,0.37967592592592597,0.3290277777777778,1.6912037037037038,4.0,0.5,0.0,0.0,0.42308,0.7,0.42308,0.42308,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.375,0.125,0.0,3.5,0.4375,3.5,0.4375,0.0,0.0,-3.5,-0.4375,0.0,0.0,8.4771,1.05964,8.4771,0.0,0.0,3.80805,0.47601,3.80805,0.0,0.0,0.10595,0.01324,0.10595,0.01324,0.0,7.0,0,0,0,0,0,0,1.0,0.8904916402194915,1.3229959670593578,2.526234909949523,3.228721929429923,2.9989462197746497,2.5863973248860344,23.15278264570678,34.3978951435433,65.6821076586876,83.946770165178,77.9726017141409,67.2463304470369,0.1894485821789581,0.2814621708588936,0.5374465074404967,0.6868978485074163,0.6380139730758335,0.5502458237904794,3.809948077921601,3.377443751081735,2.1742048081915697,1.4717177887111696,1.701493498366443,2.1140423932550583,0.19175693730143042,0.2848916747190522,0.5439950779509544,0.695267423771482,0.6457879178898798,0.5569503488460743,6.648700044059478,11.838751966137876,16.752762263372777,16.615194345644813,14.899772135790407,13.661462326159027,31.725216152945546,24.137207276979716,20.305074362997345,19.405554002356777,22.410874847994453,20.30924765873201,8.0,5.142857142857143,5.0,8,0,7,2.34,1.2358000000000005,0.6694329500821695,4.653771984446965,1.5000000000000004,0.0,3.1473451902649443,2.5557724169850897,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.103,0.084,0.08800000000000005,0.024999999999999994,3.538,7.0,6.0,4.0,3.0,1.0,0.0,0.0,0.0,0.0,36.0,2.0794415416798357,2.0794415416798357,1.9459101490553132,1.6094379124341003,1.3862943611198906,0.6931471805599453,0.0,0.0,0.0,0.0,3.6109179126442243,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.5714285714285714,7.0,1.0,0,3.0,6.0,1.0,1.5,0.666666666666667,0.25,0.16000000000000003,0.05555555555555555,0.0,0.0,0.0,0.0,0.0,0.21428571428571427,0.09523809523809527,0.041666666666666664,0.04000000000000001,0.018518518518518517,0.0,0.0,0.0,0.0,0.0,0.4097089947089947,19.762798311268885,30.51630347207011,39.52559662253776,4.94069957781722,19.762798319332692,0.08223418383364317,0.010279272979205396,-1.9985473613146967,56.59442820477872,7.07430352559734,3.228728431001409,0.0,146.92433570773346,4.0,3.367295829986474,4.007333185232471,4.6913478822291435,5.3612921657094255,6.052089168924417,6.729824070489475,7.422373700986824,8.10258642539079,8.795582216956426,69.52972464590545,2.70805020110221,0.0,3.7612001156935624,0.0,4.990432586778736,0.0,6.289715570908998,0.0,7.623153068476902,7.934871565945177,114.14085057599999,4.3900327144615385,14.66013744428829,1.8325171805360363,0.0,0.0,0.0,76.0,6.0,4.8309999999999995,28.0,1.2277999999999998,2.11761442981603,2.8689954536698687,3.5395239790088486,4.467589819805339,5.700746328472045,6.680694242345839,8.14971445718844,0.0,0.0,71.22212779891997,68.08752345669303,66.1627835570032,65.99938978293066,70.31859579514915,65.85283057969536,26.040667854072733,8.280631470228712,0.0,0.0,272.54988247666296,313.60501101098725,335.09696154139823,370.68743051339754,408.7154134515556,487.6108123671555,352.87209993179323,253.32364137230303,0.0,0.0,8.919363222559998,15.02844115317633,20.09578731418255,24.703329230659122,30.95744607408169,39.563724872963604,45.57691036549867,54.75356319090007,0.0,0.0,2.0816483842615994,2.6349985923939347,2.975411711531051,3.415836305684123,3.883087001997085,4.852306450792022,4.131505603019203,3.6234682185004434,0.0,0.0,176.77647004622915,330.4239685352606,467.6398062621873,583.2325182342844,753.5137585922246,955.0537651538372,1180.1858986818022,1507.026062091363,0.0,0.0,2.440753333333333,3.386759232028582,4.287736566597928,5.21611900237449,6.24200425792691,8.505067865478992,8.41657137500896,8.14971445718844,0.0,0.0,0.43219890000000005,0.5571708345826829,0.6360083043860099,0.7346205746772668,0.8403664159393329,1.0559212422328907,0.922959783870659,0.8345307604160962,0.0,0.0,411.7576844314203,184.3877973630287,10.066200146639684,164.97962555586983,-73.87896065140873,-9.89724449666371,246.77805887555044,258.2667580144374,19.963444643303394,0.7139432065535943,0.31970846028166994,0.01745370027623411,0.28605679344640556,-0.12809811221167022,-0.017160749487287064,237.47601928557282,106.34332224563472,5.805553194366636,95.14990544580276,-42.60875303075033,-5.7081101672923396,0.06615901873586368,0.14552223187983898,1.0318189691639499,9.665521430355833,576.7373099872901,0.0,1.0,0.0,434.57098402304956,20.84636620668095,7.574493114672902,608.937633495227,24.676661716999465,8.475999811250393,711.042358649695,26.665377526854837,8.925485001222029,2.177133727013515,2.177133727013515,737.5840449444288,692.6762219967162,87.22342175299195,1.064832343772767,8.456261289922717,7.941401610662631,4.4180283497331665,4.466158665423347,8.836778876532481,0.9786083609044471,5.020209961846426,6.639703040333497,2.81980556847097,27.051158414162185,9.814810797994365,5.557618818300524,6.176446412081709,11.526503653104657,9.906275281819411,2.9651432020890534,3.4534237105558145,7.89784775894518,4.730372909322069,0.8602648366970715,2.474850258276829,0.24108105686345987,0.13932910995207265,1.5778104362607236E-19,3.446397419078224E-59,1.4519504420343953E-120,1.1798156019634413E-203,1.8490658661802625E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.42131143465514237,6.639327089498135,0.18401251407673377,7.480973734601727,1.0603714481817885,0.17197088118589332,0.6483790713362478,0.5163413295379102,3.1337461873355026,0.10090414071819408,0.07444312825437167,0.3436506621258881,0.15164985756993812,0.8595610273381927,0.1127526279465125,0.0016980199715199876,9.81306313676862E-4,1.1112647912704614E-21,2.4273258818235872E-61,1.022620568239026E-122,8.309537752587714E-206,1.3023122084905E-310,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3600446690923484,6.639352919986414,0.628697017207428,9.533992743167515,1.6543820685688613,0.7490581057804494,1.6106799445311977,1.9237754967285663,4.015222215232106,0.4229866630920566,0.38091138341220654,1.294580719056247,0.6512041372243812,0.8596960106748393,0.4265408019391599,0.017694156127444002,0.01022596837965762,1.1580235914695827E-20,2.529460716669373E-60,1.065649476565307E-121,8.659179006924674E-205,1.357109730046205E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.738668689405447,6.639662014942334,2.625424649123717,25.166186176711083,8.856841593740262,5.043162686584363,5.779262995897516,10.55531418417557,9.314449378908526,2.6969080653009376,3.1109824703760536,7.226293925449826,4.296156697543891,0.8602186795937828,2.270681910560425,0.21479892705608863,0.12413972854974938,1.405800692531117E-19,3.0706780530364185E-59,1.2936617036012088E-120,1.0511944604891376E-203,1.647484397030775E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0044556054483453,6.639385767770147,0.9616726908032468,11.519848809908895,2.41636539166,1.3002737667534756,2.3205865257360156,3.139340803364092,4.76906778880486,0.7220486066268087,0.7050881955106441,2.122857180425168,1.1233110200193441,0.859791249525474,0.6919379890153549,0.03843390818324413,0.022212169782285754,2.515381983459243E-20,5.494326679911311E-60,2.3147330622456956E-121,1.880889389992962E-204,2.947823679656997E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.062630570604617,6.639875387837387,3.577001848489218,34.81028503164355,13.840921469191784,7.672188773597069,7.7137543672855635,15.459778556151328,12.298756271207939,4.063765065714554,4.875273200973357,10.621716803216788,6.512833421529345,0.8604392218821036,3.2984224112470177,0.35159384775844577,0.20319841249619847,2.301088236179779E-19,5.026246737875419E-59,2.1175332631208977E-120,1.7206501745377132E-203,2.6966887877054743E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.145998242759462,5.8617125672901516,1.4244991694104745,15.267158706981835,4.439264277119132,2.615559502830521,3.508301107266131,5.447476415885507,6.181935188632731,1.3403150234714352,1.469931101628143,4.131225710044308,1.9831117961569487,1.2382091272152804,1.3373033367278269,0.0867894912844828,0.05015847958274617,5.680117570538606E-20,1.240703070868161E-59,5.227021591323825E-121,4.2473361670683896E-204,6.65663711824895E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.859036214378203,1.0632085962157212,0.5975392398042116,0.8050716043744883,0.1247929043654618,0.524217609017607,0.4356150977563063,0.45599445276396355,8.519784050398135,12.026438406546998,24.90382890986926,0.7076074065617324,1.4158271595378769,5.883112772829619,0.5807351745459465,0.1853022953562689,0.8847916738323715,0.08733975821658509,0.3855941426187982,0.12973988635181155,0.04376882499271706,6.649150242731834,4.614296384485295,11.896537575284281,0.8271875107485571,0.5591028539633268,6.285341934693356,0.7795919189919889,0.3552163211884987,0.8470639793756221,0.10506416994521858,0.4401523956531177,0.23398243267876526,0.1609810094386739,7.420150174873844,7.409581593334606,16.570292374455118,0.7705959690634332,0.8351158377705569,6.836298366874648,1.051967920342185,0.5879354639102394,0.8065285097733347,0.12410840978417081,0.5207459172828779,0.4264376158447749,0.44143906856796794,8.476201751127073,11.82935807486213,24.533736856996946,0.7097927646600021,1.3886226016956207,6.4582595461693035,0.8650782312543891,0.4282577570503477,0.8331522868352944,0.11160002188028069,0.46471696880827296,0.28819835120802995,0.2340689090261777,7.751595534474041,8.723175955863464,18.867404644074274,0.7497284302529417,0.9869842290424806,6.929785300939971,1.0981839882596234,0.627421271303217,0.8006323056711844,0.12687861750236576,0.5350936555662885,0.4647974351535871,0.5027957790068583,8.655390560502811,12.647097956981964,26.07727686336904,0.7009484585067767,1.502686869726734,6.859568803306722,1.054489552412651,0.5890963698350756,0.806708689269375,0.12401156822933065,0.5243029493977985,0.4283686847952218,0.4427786887209253,8.503154725554449,11.89548668515992,24.65977788912477,0.7100630339040626,1.3954503229139457 +UMLCN0282,L,n-nonane,CCCCCCCCC,Alkanes,,C9H20,Marquardt (2015),IQT,PubChem,,60.9,0,-1.9133999999999993,3.6610995599999976,32.1786,29.175859999999968,0,0,29,9,20,0,9,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1318.698368999998,1396.2547279999994,1434.6986709999978,1265.375669999996,1068.6189409999965,871.8622120000002,675.1054830000003,478.3487540000002,281.5920250000005,4433.327004362573,5682.867541405009,7269.751946445027,7102.214701125014,6095.416356169891,5088.6180112147695,4081.8196662596565,3075.02132130453,2068.2229763493997,202.2339240000001,202.67676800000004,382.123132,500.6367599999996,437.75185999999974,374.86695999999995,311.9820600000001,249.09716000000023,186.21226000000007,33.992358096979984,44.58208620000001,63.16277430303707,66.14579387456408,57.1242650151681,48.102736155772085,39.08120729637604,30.05967843697998,21.038149577583987,4839.502245294981,4076.805802978001,8497.656591183839,12011.478040799966,10532.522885761371,9053.567730722774,7574.6125756841775,6095.657420645581,4616.702265606985,43.75,52.5,83.25,98.0,85.75,73.5,61.25,49.0,37.0,45.472357551724066,49.86624028571426,26.56849390740737,17.57466208333328,16.962205412698356,16.145596518518524,15.002344066666673,13.287465388888895,10.429334259259278,152.87334497801973,202.95955505017892,134.62503604527828,98.64187084895852,96.75264057412525,94.23366687434758,90.70710369465904,85.41725892512584,76.6008509759037,6.9735835862068996,7.238456000000001,7.076354296296296,6.953288333333328,6.948442222222218,6.94198074074074,6.932934666666669,6.9193655555555615,6.896750370370373,1.1721502792062064,1.5922173642857147,1.1696810056117977,0.9186915815911677,0.9067343653201285,0.8907914102920756,0.8684712732528009,0.8349910676938883,0.7791907250957032,166.87938776879244,145.60020724921432,157.36401094784887,166.82608389999953,167.18290294859318,167.65866168005138,168.32472390409282,169.32381724015502,170.9889728002587,1.5086206896551724,1.875,1.5416666666666667,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3703703703703705,0.04152814630489386,-0.004413884622868276,-0.019035771140578778,-9.914142773000925E-5,-2.7213559341532616E-6,1.4859704934174715E-6,1.323058917028475E-5,4.1117922742003486E-5,-2.2712817797470772E-4,751.4441937931031,-57.58193055885778,-326.34559144232986,-12.092205417360413,-12.668024722949008,-13.24384402853766,-13.819663334126256,-14.39548263971488,-14.971301945303447,1397.3425661744839,-107.07605871068859,-606.8535627428276,-22.4859723292446,-23.55673291635146,-24.62749350345832,-25.698254090565182,-26.769014677672043,-27.839775264778904,0.14720275862068952,-0.011279904875145685,-0.06392886087990254,-0.00236878002378162,-0.002481579072533161,-0.0025943781212847024,-0.0027071771700362506,-0.0028199762187878195,-0.0029327752675393746,6.246771423200696,-0.4786798025440945,-2.7129177809187515,-0.10052275853426734,-0.1053095565597088,-0.11009635458515027,-0.11488315261059129,-0.11966995063603275,-0.12445674866147466,33.932561514511015,-2.6001962846371294,-14.736612443179597,-0.546041219773702,-0.5720431826200708,-0.5980451454664361,-0.624047108312796,-0.6500490711591559,-0.6760510340055158,2.706896551724142,-0.6652794292508926,-0.9283590963139126,0.03804994054696766,0.033293697978596735,0.028537455410225697,0.02378121284185477,0.01902497027348373,0.26426872770511284,0.00143200504499634,-1.5763873653100986E-4,-3.5251428038108847E-4,-1.3769642740279063E-6,-4.319612593894066E-8,2.7517972100323545E-8,2.940130926729945E-7,1.1421645206112078E-6,-8.41215473980399E-6,25.911868751486313,-2.056497519959206,-6.043436878561664,-0.16794729746333906,-0.20107975750712712,-0.24525637089884555,-0.30710362964725013,-0.3998745177698578,-0.5544926646408684,48.18422641980979,-3.8241449539531636,-11.238028939681994,-0.31230517123950835,-0.3739163954976422,-0.4560646945084874,-0.5710723131236707,-0.7435837410464456,-1.0311027875844039,0.00507595719381688,-4.0285374554091736E-4,-0.0011838677940722694,-3.28997225525225E-5,-3.939014400846288E-5,-4.804403928305004E-5,-6.015949266747223E-5,-7.83326727441061E-5,-1.0862130620516202E-4,0.21540591114485158,-0.01709570723371766,-0.05023921816516207,-0.0013961494240870465,-0.0016715802628525208,-0.0020388213812064866,-0.0025529589469020287,-0.0033241652954453544,-0.004609509209684247,1.1700883280865868,-0.09286415302275462,-0.2729002304292518,-0.0075839058301903055,-0.009080050517778902,-0.011074910101230297,-0.013867713518062133,-0.018056918643309886,-0.025038927185389474,0.09334126040428076,-0.023759979616103304,-0.017191835116924306,5.28471396485662E-4,5.284713964856624E-4,5.28471396485661E-4,5.284713964856616E-4,5.284713964856592E-4,0.00978773065574492,-0.11008252874654695,-0.2461683229488828,-9.615638428364793E-4,-3.0164786143648722E-5,1.92163932637499E-5,2.0531568216210154E-4,7.975981122427729E-4,-0.005874389038779881,-0.0793650793650784,-0.23323045267489673,-0.006481481481481552,-0.007760141093474515,-0.009465020576131838,-0.011851851851852042,-0.015432098765432379,-0.02139917695473286,-0.07936507936507949,-0.23323045267489753,-0.006481481481481491,-0.0077601410934744295,-0.009465020576131682,-0.011851851851851834,-0.015432098765432063,-0.021399176954732445,-0.07936507936505871,-0.23323045267488884,-0.006481481481482601,-0.007760141093475879,-0.009465020576133581,-0.011851851851854396,-0.015432098765435734,-0.021399176954737857,-0.07936507936507603,-0.23323045267489556,-0.006481481481481693,-0.0077601410934746914,-0.009465020576132023,-0.011851851851852242,-0.015432098765432627,-0.021399176954733347,-0.0793650793650876,-0.23323045267490022,-0.006481481481481024,-0.007760141093473908,-0.009465020576131028,-0.011851851851850897,-0.015432098765430698,-0.021399176954730367,-0.25454959053685156,-0.18418259023354547,0.005661712668082052,0.005661712668082057,0.005661712668082041,0.005661712668082047,0.005661712668082021,0.10485963670677026,1.641971499115631,1.3934111265661333,0.9170635172146779,0.9128207047828966,0.908279744867528,0.9018098842407677,0.89176194917807,0.8806051642552457,1.611111111111113,1.4201646090534998,0.939814814814816,0.9308641975308654,0.9189300411522645,0.9022222222222231,0.8771604938271613,0.8353909465020583,1.6111111111111123,1.4201646090534987,0.9398148148148153,0.9308641975308648,0.9189300411522641,0.902222222222223,0.8771604938271613,0.8353909465020586,1.6111111111111103,1.420164609053497,0.9398148148148141,0.9308641975308636,0.9189300411522627,0.9022222222222217,0.87716049382716,0.8353909465020573,1.6111111111111098,1.4201646090534965,0.9398148148148142,0.9308641975308635,0.9189300411522626,0.9022222222222214,0.8771604938271599,0.8353909465020569,1.611111111111111,1.420164609053497,0.9398148148148142,0.9308641975308638,0.9189300411522634,0.9022222222222219,0.87716049382716,0.8353909465020571,1.8471337579617808,1.1493276716206635,0.7901627742392061,0.8209483368719025,0.8619957537154975,0.9194621372965308,1.0056617126680805,1.053550365652275,55.48437863830439,27.742189319152196,44.32390805791539,55.48437863830439,6.164930959811599,27.74218931915535,3.552713678800501E-15,1.2212453270876722E-15,1.356939252319636E-16,-30.905014767190856,2000019.3289432311,222224.36988258123,13.057800662654222,55.48437863830439,27.742189319152196,44.32390805791539,55.48437863830439,6.164930959811599,27.74218931915535,3.552713678800501E-15,1.2212453270876722E-15,1.356939252319636E-16,-30.905014767190856,2000019.3289432311,222224.36988258123,13.057800662654222,55.48437863830439,27.742189319152196,44.32390805791539,55.48437863830439,6.164930959811599,27.74218931915535,3.552713678800501E-15,1.2212453270876722E-15,1.356939252319636E-16,-30.905014767190856,2000019.3289432311,222224.36988258123,13.057800662654222,55.48437863830439,27.742189319152196,44.32390805791539,55.48437863830439,6.164930959811599,27.74218931915535,3.552713678800501E-15,1.2212453270876722E-15,1.356939252319636E-16,-30.905014767190856,2000019.3289432311,222224.36988258123,13.057800662654222,55.48437863830439,27.742189319152196,44.32390805791539,55.48437863830439,6.164930959811599,27.74218931915535,3.552713678800501E-15,1.2212453270876722E-15,1.356939252319636E-16,-30.905014767190856,2000019.3289432311,222224.36988258123,13.057800662654222,55.48437863830439,27.742189319152196,44.32390805791539,55.48437863830439,6.164930959811599,27.74218931915535,3.552713678800501E-15,1.2212453270876722E-15,1.356939252319636E-16,-30.905014767190856,2000019.3289432311,222224.36988258123,13.057800662654222,61.71840483361289,30.794387601991616,49.643353336918665,61.617581788345376,6.84639797648282,30.794387601991758,-0.12962962962965463,7.771561172376096E-16,8.635067969306773E-17,-31.311801378559608,2000019.0368197656,222224.3374244184,13.057800531199923,0,11.889999999999997,12.110134441590946,-0.1705051577633551,0.04984285710949768,5.107464721976749,7.32766003133685,8.0,28.0,28.0,28.0,8.0,0.0,0.0,0.0,0.0,0.0,21.864139999999995,3.5012107575108065,3.293101695484398,2.972029978714458,2.575531305869185,2.153032440180409,1.7593593013849884,1.441039877441725,1.2206961037970796,1.9254927394086454,1.7886074377691485,1.5769799222331515,1.3202820951383285,1.0604667899186937,0.8377531044420266,0.6731636779018053,0.5663534871113826,3.530384202123776,3.3273669544944,3.014671680966566,2.629759571142197,2.221949550065858,1.8453826341894888,1.5443921923462771,1.3382919388177874,1.8644391380604506,1.7181003808411093,1.4930749186037993,1.2206852820188476,0.9441011703562565,0.7054722719790669,0.5281701738230213,0.41288755623310724,3.657651319347832,3.476869652668494,3.1999328648455716,2.862981140949593,2.513667726571267,2.2018029998927586,1.9621617424374254,1.8032555484891615,1.6828605444509128,1.5064320677109388,1.2363086798035154,0.9081829248737099,0.5692083818092483,0.26821578998463286,0.03826978501090829,0.11359514777974856,3.5518219774117923,3.352557551582275,3.045997117535607,2.669494684705047,2.272217781428267,1.9077076166105722,1.6186454648279702,1.4221044732001267,1.825391287547245,1.6728124380723264,1.4387359755580629,1.1555294161292229,0.8672011066286369,0.6172280454184431,0.43069799755851296,0.3091854444420958,3.7190371541530762,3.5487974358379986,3.288241071081643,2.9723286878770505,2.6474443323074626,2.361009518170998,2.1437911428732583,2.001016242160756,1.6255612766238268,1.4392008584773344,1.153436184846447,0.8048937202744818,0.44180016208596556,0.1151865243553132,0.1378776116303686,0.306708510908684,3.5569073416522365,3.407257028678227,3.1394086096747076,2.7777303922357857,2.3811847527894656,2.0188440617043018,1.7395256934277878,1.5554925727122646,1.8011133191674165,1.6059829913982546,1.3283128739695826,1.020032904591151,0.7242668754189083,0.4702494404758909,0.27596341354454057,0.14581733955494028,0,0,0,0,0,2,7,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.949747468305834,4.414213562373095,2.767766952966369,1.7071067811865475,1.0303300858899105,0.6035533905932737,0.33838834764831843,0.17677669529663687,0.7721941631450926,0.5517766952966369,0.39539527899519555,0.2845177968644246,0.2060660171779821,0.15088834764831843,0.11279611588277282,0.08838834764831843,6.949747468305834,4.414213562373095,2.767766952966369,1.7071067811865475,1.0303300858899105,0.6035533905932737,0.33838834764831843,0.17677669529663687,0.7721941631450926,0.5517766952966369,0.39539527899519555,0.2845177968644246,0.2060660171779821,0.15088834764831843,0.11279611588277282,0.08838834764831843,14.418278037858748,27.878368536052434,26.254901960784323,26.599999999999994,16.985544910179637,223.53985628742518,0.4971820013054741,0.9613230529673253,0.9053414469235974,0.9172413793103447,0.5857084451786082,7.708270906462937,3.7569000000000026,43.667000000000016,27.742189319152196,44.32390805791539,55.48437863830439,6.164930959811599,27.74218931915535,1.2212453270876722E-15,1.356939252319636E-16,-30.905014767190856,2000019.3289432311,222224.36988258123,13.057800662654222,96,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7999999999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.527422052154195,0.0,9.972577947845807,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2637110260770976,0.0,1.3671875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2637110260770976,0.0,1.46,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.5,1.6111111111111112,0.2,2.2637110260770976,0.2,1.3671875,6.7626288973922914,0.1328125,0.2637110260770975,1.05484410430839,0.1328125,0.2637110260770975,1.05484410430839,4.5,0.5,0.0,0.0,0.42414,0.7,0.42414,0.42414,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.22222,0.0,0.0,4.0,0.44444,4.0,0.44444,0.0,0.0,-4.0,-0.44444,0.0,0.0,9.36685,1.04076,9.36685,0.0,0.0,4.41421,0.49047,4.41421,0.0,0.0,-2.1E-4,-2.0E-5,-2.1E-4,-2.0E-5,0.0,8.0,0,0,0,0,0,0,1.0,0.8935711016541907,1.1307380174672108,1.94686429210791,2.3930174277012264,2.298021306936969,1.8475337913756258,25.91356194797153,32.79140250654911,56.45906447112939,69.39750540333557,66.6426179011721,53.57847994989315,0.18393878085369603,0.23275883923821672,0.40075584776073925,0.4925950575149141,0.47304040695956284,0.3803089788182897,3.9644098934733822,3.727242977660362,2.9111167030196627,2.4649635674263464,2.5599596881906037,3.010447203751947,0.18587583320595183,0.2352100137809758,0.40497619245358935,0.4977825574561462,0.47802197761454013,0.384313998306757,6.65913786016461,9.505140849920851,12.617756999367977,13.39138730530513,12.25143385613404,9.337363029136611,35.683323207831734,31.375750671093662,29.425599962844814,28.44352999510166,30.82320953070021,34.817066149104086,9.0,8.0,8.0,9,0,9,2.45,1.376700000000001,0.12499999999999997,4.141993257674248,0.0,0.0,9.333258269463991,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.08499999999999999,0.064,0.12700000000000003,0.04000000000000001,4.265,7.0,6.0,5.0,4.0,3.0,2.0,1.0,0.0,0.0,45.0,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,0.0,3.828641396489095,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.75,8.0,1.0,1,4.0,8.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.0,0.0,0.0,0.0625,0.03174603174603176,0.020833333333333332,0.016000000000000004,0.013888888888888888,0.01360544217687075,0.015625,0.0,0.0,0.0,0.17419869614512473,27.742189319152196,44.32390805791539,55.48437863830439,6.164930959811599,27.74218931915535,1.2212453270876722E-15,1.356939252319636E-16,-30.905014767190856,2000019.3289432311,222224.36988258123,13.057800662654222,0.0,164.2203203336001,4.169925001442312,3.4339872044851463,4.04305126783455,4.672828834461906,5.303304908059076,5.942799375126701,6.580639137284949,7.223295679562314,7.8636512654486515,8.507344855361422,70.57090252762471,2.833213344056216,0.0,3.8066624897703196,0.0,4.919980925828125,0.0,6.09807428216624,0.0,7.311218384419629,7.671360923190644,128.15650064,4.419189677241379,16.82976753783411,1.8699741708704565,0.0,0.0,0.0,120.0,6.0,5.461,30.0,1.230142857142857,2.1230257024885213,2.8504430698770458,3.586273228421035,4.921433940189485,5.9303126873984295,7.24369035425539,8.328762969665952,9.59831800043608,10.610256765774116,72.40063675514283,63.44328061214143,61.450165692671376,79.26257742799935,94.97999307143903,106.26406352369054,110.01792037222104,98.29450566201722,47.76925588163212,10.78069993045951,275.5059646900563,306.4296225128547,310.4934705902581,410.2212838939531,511.61824239393826,598.1591075851546,665.0444460738746,682.9442251509269,585.0889713751963,329.8065096538712,8.939719116571426,15.072091628534979,19.873864086277717,25.10506814354863,34.28716667121883,41.29469906837189,50.25486318751371,57.592899761491665,65.85418381091253,71.28462811160982,2.0988376407357134,2.610672148870635,2.788157221624341,3.670064104601195,4.6867799836645,5.550987443311869,6.3523406771029425,6.801559624543243,6.560435092308874,4.717457081824585,176.90608381034693,330.54708606995894,471.8361821217183,585.5537828536478,816.0901388099206,984.6131038169659,1216.5408327780326,1412.500258789788,1665.9142127011592,1962.0237685013515,2.372410714285714,3.356207511354029,3.9823059226493687,5.188946192447977,6.918659145591021,8.394854930897804,10.124019515902704,11.762504544801903,13.0260222864278,10.610256765774116,0.4355678571428573,0.5531176194623115,0.5976525957764033,0.7854464357294751,1.007639296589391,1.1957338415464618,1.3751961400876995,1.4820761831659457,1.4545198729971154,1.0864902928152693,464.62937979439766,235.1389675852102,11.519319860597584,161.8976577128513,-81.93293352630694,-9.695387667303098,302.73172208154637,317.07190111151715,21.214707527900682,0.7415950980232386,0.3753053795104407,0.01838599002275988,0.25840490197676125,-0.13077318075895322,-0.015474811280097263,291.10286886141444,147.3209207636748,7.2171653463586205,101.43325986619536,-51.33319811651545,-6.074422512679728,0.052163286744309915,0.12876631976899552,0.7927696593461709,8.55260125657616,626.527037507249,0.0,1.0,0.0,496.6525531691995,22.285702887034986,7.919253115729209,690.3932748049522,26.27533586474114,8.838234441616704,775.1207465276423,27.84099040134245,9.185929762513629,2.950990615738759,2.950990615738759,1410.9169199157923,1384.171775460289,56.79147305221545,1.0193221281705513,24.843816229569555,24.37288031228998,4.85376418022005,5.6454556919422,11.281711498940464,0.9983703910816152,5.578011068718544,7.588218589643498,3.0027470351267005,30.87317242129455,13.441672596508278,0.1435457354622084,5.155872504563185,8.893345643214834,17.221581117871004,1.2405738756510698,2.1899285681969642,16.659436215495713,4.560378906038274,10.991767258432487,2.706547914765403,0.7507018012425246,1.1811808021789933,4.552075903404732,0.7641552493409282,2.3401866838351744,0.34640345823415597,0.017048723176411977,7.836303603535253E-23,6.948258438477839E-65,1.1882739552933633E-128,3.919521923166262E-214,2.49E-321,0.0,0.0,0.0,0.46812381628378513,7.587802279470205,0.2073632637344529,7.135824148035504,0.09802555604163102,0.0012258070078453097,0.7680875982874671,0.33697476543250227,5.243344557249031,0.045807429140516165,0.019088724364486647,0.9659936582327617,0.15045257706618576,3.1461654739631557,0.1143844940416248,0.060424052502450414,0.09064242715261309,0.08596793151861945,0.7640296572093278,0.17256760895428372,0.0024397560529623627,1.2007555132518267E-4,5.519172701729797E-25,4.89371523085324E-67,8.369110626690027E-131,2.7605513385687943E-216,2.0E-323,0.0,0.0,0.0,1.5111607434362364,7.587830885594931,0.6988061444921478,8.858824136789643,0.9951617380068745,0.010936122861922698,1.6636436326836859,1.3575491576187058,6.829620469019547,0.18629101529785602,0.16750547883922892,3.3529402016487713,0.6387275402527548,4.502180978720311,0.4435461004621732,0.19013017587432218,0.2922592544998701,0.4725948640487577,0.7640501138294967,0.5727702545184815,0.025424074963971706,0.0012512798235450972,5.75140348565447E-24,5.099628577976618E-66,8.721258534832019E-130,2.8767073344156376E-215,1.8E-322,0.0,0.0,0.0,5.265187432673013,7.588173161008094,2.8036133886485377,28.315423062767227,11.97859823476193,0.12799108377072696,4.8872255955295145,8.112708975015028,16.184489164520464,1.1308538578163776,1.9527769400403854,15.409872678164165,4.144695101239939,10.424636922298212,2.477120351495456,0.7044833261711603,1.1069949187396735,4.092936039714244,0.7641457283764376,2.192538312602564,0.3086392504247493,0.015190105412771425,6.98200542952523E-23,6.190773175417914E-65,1.0587307010257747E-128,3.492223468261761E-214,2.223E-321,0.0,0.0,0.0,2.2271728949429,7.587867260714654,1.0596688976817779,10.968684776366434,2.1533689908364195,0.023344460668470665,2.278439837655001,2.2736950202484714,8.173526103977876,0.31342832795259523,0.35689084618072225,5.233916069116044,1.0962101828204953,5.505919055980478,0.7288757684013564,0.2824931771666952,0.4368938571229641,0.8938857729726439,0.7640656945323977,0.860043095680158,0.05522446804366455,0.0027179469810430634,1.249281691149376E-23,1.1077074717534544E-65,1.8943738930022338E-129,6.248592735050703E-215,3.95E-322,0.0,0.0,0.0,6.736256189560979,7.588409434558548,3.7718437546339727,41.5975186732518,19.592473926265562,0.20890610446468022,6.150584994577324,12.07529369424647,21.406399837253883,1.6883484616603148,3.1863673099280345,21.6139435101227,6.2649131435068455,13.190182544244141,3.6363316661144345,0.9263244822614733,1.4642870243467894,6.462944278133645,0.7641925816308007,2.9038347999072074,0.5051968616351228,0.024863960486977373,1.142851233761804E-22,1.0133381924263194E-64,1.7329858879400545E-128,5.716254362102766E-214,3.636E-321,0.0,0.0,0.0,3.54578444392346,7.125566530541661,1.6735843148842293,15.991559065542392,5.187280015864141,0.05566224045206471,3.2616724061562423,4.113584785501602,10.930055393808418,0.5708193772190189,0.8498406868175037,9.170217631819709,2.0534039152060317,7.883755802432651,1.2815484968200677,0.4203582100532275,0.8522183543433693,1.901520513682218,1.1774626881172972,1.6837348437039403,0.13345392973979645,0.006568116895549918,3.01898022300288E-23,2.676855807451629E-65,4.5778925269328145E-129,1.510017958508762E-214,9.6E-322,0.0,0.0,0.0,11.951213451982975,0.7824147410170799,0.5140179413793103,0.9021386388762319,0.059060661273749746,0.5592482071827903,0.6068659286592284,0.6206729859061356,13.247646134379364,15.896118927928537,33.9502468956844,0.8532079583143478,1.7867871217481546,10.683176980761438,0.32619503538621597,0.11715179802119141,0.9601540570251745,0.0293168864628528,0.4468702476581238,0.1054807966156918,0.03224068085374551,11.126523814168847,4.774567020052571,16.30934133717176,0.9402310855377619,0.5845917251275611,11.203777639423596,0.5134990164911764,0.28008778631647296,0.9338532386317957,0.04280098507999286,0.49148419445695524,0.2613953993009733,0.18428697017218038,11.997364442231245,9.034994879042703,22.64374043093175,0.9007798579476936,0.9371665639301088,11.921478905806353,0.7717167159904821,0.5047117148365862,0.903285543816171,0.05847265754385383,0.5564688567356565,0.5903839226624112,0.5984020300446248,13.197907336633422,15.606409079972012,33.44766649001409,0.8549283157242564,1.7452548094426925,11.42845257219977,0.5943335461124275,0.3504058537410078,0.9236462667040747,0.04803397114138559,0.5113937959254814,0.3501702087898355,0.28843568714619544,12.373191972053204,11.005167377945904,25.758425495870895,0.885469400056112,1.1499996918615123,12.043791519672297,0.8157228829732879,0.542992739436981,0.8986222795476799,0.06086345445114501,0.567946009852714,0.6596354664394356,0.6926188911305525,13.402507142082566,16.80701929367816,35.54410231792546,0.84793341932152,1.920200367422702,11.966147469837104,0.7732671035507539,0.5061986764443761,0.9034045645254413,0.05837910929194222,0.5606467330959995,0.5927584814052463,0.6019332006771192,13.245613249832234,15.701702990387249,33.631186865459945,0.8551068467881618,1.755338415178365 +UMLCN0283,L,2-methylbutane,CCC(C)C,Alkanes,,C5H12,NREL (2014),IQT,PubChem,,24.9,0,0.3362000000000003,0.11303044000000019,23.0781,16.801516,0,0,17,5,12,0,5,0,0,0,0,0.0,0.0,0.0,0.0,0.0,733.5133730000002,722.3415399999998,780.9305319999999,544.8948979999999,169.67059200000003,18.289152,0.0,0.0,0.0,2490.589441917814,3070.907003443543,3840.690913234923,3576.9385529420597,2122.8492627885494,559.5073997567447,0.0,0.0,0.0,118.32414799999997,115.573648,211.22881600000017,251.49216800000022,246.6547200000002,120.93235199999997,0.0,0.0,0.0,19.279854858187992,24.518131720000014,33.418438008490014,34.07326686788601,24.033241436375977,8.003032287282004,0.0,0.0,0.0,2852.9836047409885,2344.6479969148004,4806.314708008891,5904.886794777487,6275.494221136777,3328.517736436482,0.0,0.0,0.0,28.02777777777778,32.66666666666667,47.33333333333332,57.0,48.0,18.0,0.0,0.0,0.0,43.14784547058825,45.146346249999986,26.03101773333333,15.135969388888887,4.713072,1.016064,0.0,0.0,0.0,146.50526128928317,191.93168771522144,128.02303044116408,99.35940424839055,58.9680350774597,31.08374443093026,0.0,0.0,0.0,6.960243999999998,7.223353,7.0409605333333385,6.9858935555555615,6.851520000000005,6.718463999999998,0.0,0.0,0.0,1.134109109305176,1.5323832325000009,1.1139479336163338,0.9464796352190559,0.6675900398993327,0.4446129048490002,0.0,0.0,0.0,167.82256498476403,146.54049980717502,160.21049026696303,164.02463318826352,174.31928392046603,184.917652024249,0.0,0.0,0.0,1.6486928104575165,2.041666666666667,1.5777777777777773,1.5833333333333333,1.3333333333333333,1.0,0.0,0.0,0.0,0.024097139271244905,-0.005577075577033901,-0.0021605843083407645,-0.010416376562844762,-0.00344945577133085,0.009554922583927811,0.0,0.0,0.0,427.2917964705883,-60.32354773702403,-56.134412477508484,-235.429401584775,-50.26962311418687,188.51108667820057,0.0,0.0,0.0,794.5673415501982,-112.1742129247337,-104.38433702718285,-437.79102544236366,-93.47851077061168,350.5444153897929,0.0,0.0,0.0,0.08370352941176468,-0.011816968858130245,-0.010996346020760508,-0.04611900346020721,-0.009847474048443994,0.03692802768165961,0.0,0.0,0.0,3.5520857112317654,-0.5014709239386028,-0.46664655422064377,-1.9571295781492664,-0.4178924366155002,1.5670966373081325,0.0,0.0,0.0,19.29498595923174,-2.723998017773819,-2.5348314887617747,-10.631158930478652,-2.269998348144984,8.51249380554334,0.0,0.0,0.0,2.496732026143792,-1.310649750096116,0.4763552479815458,-0.4538638985005769,-0.875432525951559,0.9152249134948083,0.0,0.0,0.0,0.001417478780661465,-3.485672235646188E-4,-7.201947694469214E-5,-2.893437934123545E-4,-9.58182158703014E-5,5.308290324404339E-4,0.0,0.0,0.0,25.13481155709343,-3.770221733564002,-1.871147082583616,-6.539705599577084,-1.3963784198385243,10.47283814878892,0.0,0.0,0.0,46.739255385305775,-7.010888307795856,-3.479477900906095,-12.160861817843434,-2.596625299183658,19.474689743877384,0.0,0.0,0.0,0.004923737024221451,-7.385605536331403E-4,-3.6654486735868363E-4,-0.0012810834294502004,-2.7354094579011096E-4,0.002051557093425534,0.0,0.0,0.0,0.2089462183077509,-0.031341932746162676,-0.015554885140688125,-0.05436471050414629,-0.01160812323931945,0.08706092429489626,0.0,0.0,0.0,1.1349991740724554,-0.17024987611086367,-0.08449438295872583,-0.29530997029107364,-0.06305550967069401,0.47291632253018556,0.0,0.0,0.0,0.14686658977316425,-0.08191560938100725,0.015878508266051528,-0.012607330513904913,-0.024317570165321083,0.050845828527489347,0.0,0.0,0.0,-0.24590648432984674,-0.05080815171785805,-0.20412566125140336,-0.06759763685886566,0.3744881684879425,0.0,0.0,0.0,-0.1499999999999995,-0.07444444444444422,-0.2601851851851851,-0.05555555555555557,0.41666666666666635,0.0,0.0,0.0,-0.14999999999999977,-0.07444444444444441,-0.2601851851851849,-0.055555555555555636,0.4166666666666662,0.0,0.0,0.0,-0.14999999999998428,-0.07444444444443948,-0.260185185185183,-0.055555555555561714,0.4166666666666523,0.0,0.0,0.0,-0.1500000000000002,-0.07444444444444445,-0.26018518518518513,-0.05555555555555534,0.4166666666666669,0.0,0.0,0.0,-0.14999999999999591,-0.0744444444444432,-0.2601851851851848,-0.05555555555555736,0.41666666666666297,0.0,0.0,0.0,-0.5577552356020936,0.1081151832460733,-0.08584205933682372,-0.16557591623036677,0.34620418848167467,0.0,0.0,0.0,1.7926289933949728,1.085756572790194,1.240142882574549,0.8361048270932763,1.785410738528278E-5,0.0,0.0,0.0,1.7000000000000004,1.2088888888888893,1.25925925925926,0.7555555555555558,0.0,0.0,0.0,0.0,1.6999999999999988,1.2088888888888878,1.259259259259258,0.7555555555555551,0.0,0.0,0.0,0.0,1.6999999999999984,1.2088888888888876,1.2592592592592577,0.7555555555555548,0.0,0.0,0.0,0.0,1.7,1.208888888888889,1.2592592592592593,0.7555555555555555,0.0,0.0,0.0,0.0,1.7000000000000002,1.2088888888888891,1.2592592592592597,0.7555555555555555,0.0,0.0,0.0,0.0,2.1583769633507845,0.729842931937172,1.1422338568935422,1.0680628272251302,0.0,0.0,0.0,0.0,14.918588541826855,7.459294270913427,11.321988793881975,14.918588541826853,2.9837177083653703,7.460499637077917,-1.7763568394002505E-15,0.060810163219641444,0.012162032643928289,-1.3999991728808034,12.375954771565192,2.4751909543130384,1.257877729368194,14.918588541826855,7.459294270913427,11.321988793881975,14.918588541826853,2.9837177083653703,7.460499637077917,-1.7763568394002505E-15,0.060810163219641444,0.012162032643928289,-1.3999991728808034,12.375954771565192,2.4751909543130384,1.257877729368194,14.918588541826855,7.459294270913427,11.321988793881975,14.918588541826853,2.9837177083653703,7.460499637077917,-1.7763568394002505E-15,0.060810163219641444,0.012162032643928289,-1.3999991728808034,12.375954771565192,2.4751909543130384,1.257877729368194,14.918588541826855,7.459294270913427,11.321988793881975,14.918588541826853,2.9837177083653703,7.460499637077917,-1.7763568394002505E-15,0.060810163219641444,0.012162032643928289,-1.3999991728808034,12.375954771565192,2.4751909543130384,1.257877729368194,14.918588541826855,7.459294270913427,11.321988793881975,14.918588541826853,2.9837177083653703,7.460499637077917,-1.7763568394002505E-15,0.060810163219641444,0.012162032643928289,-1.3999991728808034,12.375954771565192,2.4751909543130384,1.257877729368194,14.918588541826855,7.459294270913427,11.321988793881975,14.918588541826853,2.9837177083653703,7.460499637077917,-1.7763568394002505E-15,0.060810163219641444,0.012162032643928289,-1.3999991728808034,12.375954771565192,2.4751909543130384,1.257877729368194,19.045618478001074,9.446420350111648,14.67123205409648,18.953951811334406,3.7907903622668813,9.446563726512895,-0.15277777777777857,0.059659742931586435,0.011931948586317288,-1.409548904397712,10.93742666774862,2.187485333549724,1.1960952734991366,0,11.889999999999999,12.110055527006956,-0.16483401734827463,0.05580235726249497,5.126992646394263,7.020913596103859,4.0,16.0,16.0,16.0,4.0,0.0,0.0,0.0,0.0,0.0,13.118483999999997,3.4360534135873335,2.7571629240290325,2.33355279310305,1.747015970217695,0.9874609734311534,0.0839230705186915,0.08392307051869131,0.08392307051869122,1.8798208891487065,1.4798238386995886,1.249629722584356,0.8503380634221899,0.38201820791995833,0.08392307051869083,0.08392307051869115,0.08392307051869118,3.466127007207847,2.8103404500185265,2.405454587841286,1.8370209207567285,1.1101916233321731,0.2709139018929374,0.27091390189293735,0.27091390189293724,1.8154407779178987,1.38355989901182,1.1345406859483516,0.7170175986553207,0.22400611815848734,0.27091390189293696,0.270913901892937,0.2709139018929371,3.598324270754605,3.0374974495386873,2.704236987233518,2.2053069327673542,1.5938565545871108,0.9439184268026231,0.9439184268026228,0.9439184268026224,1.624670541737511,1.0813216366364151,0.7603185604308986,0.27325862779346677,0.3199393057301208,0.9439184268026218,0.943918426802622,0.9439184268026221,3.4882864025351394,2.849202999374567,2.4575399160416924,1.9019282686571266,1.1975733694943729,0.39927724550898236,0.3992772455089822,0.39927724550898214,1.7743067469595084,1.3205932264897124,1.0582626705327116,0.627879322758158,0.11710276181790388,0.3992772455089818,0.39927724550898186,0.3992772455089819,3.6625520560885683,3.143442613932947,2.8389820851496497,2.367920827501356,1.7987427669839577,1.2076448229620893,1.207644822962088,1.2076448229620877,1.5648553230149758,0.9811040754534734,0.6313372621875595,0.11640187349938934,0.5202822993093668,1.207644822962087,1.207644822962087,1.207644822962087,3.4746734361915825,2.9468093803401154,2.604077879884297,1.9750631512225456,1.2622099868881396,0.5660377358490568,0.5660377358490567,0.5660377358490566,1.7734007925781352,1.209675239324728,0.90596467233713,0.5249548365884699,0.01864961445293055,0.5660377358490557,0.566037735849056,0.5660377358490565,0,0,0,0,0,3,1,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.4082482904638631,0.0,0.0,4.284457050376173,2.270055610029662,1.8020951405812151,0.8164965809277261,0.0,0.0,0.0,0.0,0.8568914100752346,0.5675139025074155,0.4505237851453038,0.4082482904638631,0.0,0.0,0.0,0.0,4.284457050376173,2.270055610029662,1.8020951405812151,0.8164965809277261,0.0,0.0,0.0,0.0,0.8568914100752346,0.5675139025074155,0.4505237851453038,0.4082482904638631,0.0,0.0,0.0,0.0,8.250966822715249,16.32702112163146,15.352941176470594,15.560000000000006,9.79132694610778,131.42683592814373,0.4853509895714852,0.9604130071547918,0.9031141868512114,0.9152941176470591,0.5759604085945753,7.730990348714337,2.0524,25.12899999999999,7.459294270913427,11.321988793881975,14.918588541826853,2.9837177083653703,7.460499637077917,0.060810163219641444,0.012162032643928289,-1.3999991728808034,12.375954771565192,2.4751909543130384,1.257877729368194,19,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.643518518518518,0.0,1.3055555555555556,0.0,0.0,0.0,0.8842592592592591,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.199074074074074,0.0,1.3055555555555556,0.0,0.0,0.0,0.8842592592592591,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2222222222222223,0.0,1.3055555555555556,0.0,0.0,0.0,0.8842592592592591,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.833333333333332,1.7666666666666664,0.2,2.2222222222222223,0.2,0.8842592592592591,3.8750879629629624,0.4490740740740741,0.22222222222222224,1.2870370370370372,0.4490740740740741,0.22222222222222224,1.2870370370370372,2.5,0.5,0.0,0.0,0.41765,0.7,0.41765,0.41765,0.7,-0.0,0.0,0.0,0.0,0.71429,0.0,0.0,0.6,0.2,0.0,2.0,0.4,2.0,0.4,0.0,0.0,-2.0,-0.4,0.0,0.0,4.43249,0.8865,4.43249,0.0,0.0,2.27005,0.45401,2.27005,0.0,0.0,0.14395,0.02879,0.14395,0.02879,0.0,4.0,0,0,0,0,0,0,1.0,0.8739810481273578,1.2772018112022605,2.1739731346044096,2.660129752633257,2.1792517713096875,0.9719119449860382,14.857677818165083,21.71243079043843,36.95754328827496,45.22220579476537,37.04728011226469,16.52250306476265,0.21381993722541345,0.31246811550501313,0.5318637059314278,0.6508021860865487,0.5331551272630193,0.23777878423201368,3.213481793122982,2.8102610300480793,1.9134897066459304,1.427333088617083,1.9082110699406525,3.1155508962643017,0.21849526203183944,0.3193004528005651,0.5434932836511024,0.6650324381583143,0.5448129428274219,0.24297798624650954,6.5887808142979205,11.42742997119675,14.112524761309281,14.602485570431215,8.831949794548382,0.9795171870567361,19.834721234744052,15.090860089398962,14.025371680189185,14.16019228603407,11.274924398092653,4.506618548459603,5.0,2.25,4.0,5,0,4,2.01,0.8130999999999999,1.1447142425533319,1.8898815748423097,2.381101577952299,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.103,0.084,0.08800000000000005,0.024999999999999994,2.0410000000000004,4.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,1.6094379124341003,1.6094379124341003,1.0986122886681098,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.772588722239781,1.0,0.3333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.25,4.0,1.0,0,2.0,3.0,0.5,1.5,0.44444444444444464,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.375,0.11111111111111116,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.48611111111111116,7.459294270913427,11.321988793881975,14.918588541826853,2.9837177083653703,7.460499637077917,0.060810163219641444,0.012162032643928289,-1.3999991728808034,12.375954771565192,2.4751909543130384,1.257877729368194,0.0,95.03638183013345,3.321928094887362,2.833213344056216,3.367295829986474,4.007333185232471,4.574710978503383,5.220355825078324,5.796057750765372,6.444131256700441,7.02197642307216,7.6708948313621175,55.93596942475696,2.1972245773362196,0.0,3.2188758248682006,0.0,4.394449154672439,0.0,5.60947179518496,0.0,6.834108738813838,7.183870715062453,72.093900384,4.2408176696470585,8.696801932082174,1.7393603864164349,0.0,0.0,0.0,18.0,2.0,3.124,16.0,1.2154999999999998,2.0916211781026264,2.863343202864383,3.446051890599863,4.115155855594804,0.0,0.0,0.0,0.0,0.0,65.03495577874999,62.39041709847384,47.82482085605015,17.407232622592815,4.181261719259079,0.0,0.0,0.0,0.0,0.0,257.03045085634767,291.4144008335819,298.7912011331536,211.99939372821808,127.91445290875504,0.0,0.0,0.0,0.0,0.0,8.812494779,14.784432431878793,20.041369180361407,23.652648717209573,27.647526470202887,0.0,0.0,0.0,0.0,0.0,1.9914047877725,2.477132363029974,2.801831113523775,2.370859152831749,1.829651398862377,0.0,0.0,0.0,0.0,0.0,176.09599778461077,330.9145584279684,466.81235258973174,597.3714165243686,760.9649585304303,0.0,0.0,0.0,0.0,0.0,2.537166666666666,3.4340547565819004,4.644254449376291,4.699842645576351,4.115155855594804,0.0,0.0,0.0,0.0,0.0,0.4145118750000001,0.5251008585964118,0.6035249940713301,0.5253973214821906,0.4213919596129079,0.0,0.0,0.0,0.0,0.0,320.2387707424511,92.82474179811395,7.655435268944876,145.9846400744086,-42.31525898622631,-8.564313563013906,174.2541306680425,135.14000078434026,16.219748831958782,0.6868783576984431,0.1990992722469208,0.016420100516900165,0.313121642301557,-0.09076176357615051,-0.018369548513251538,149.3028119713439,43.27706772931101,3.569143142375163,68.06145682236239,-19.728364374157202,-3.9928834806534357,0.10136098888024983,0.22405102943475236,2.053958422762463,13.063474468478562,466.22341081685965,0.0,1.0,0.0,248.32627658459978,15.75837163493106,6.285515363355494,364.57070956605156,19.093734824964223,7.1437666152651085,368.18298093762434,19.188094770915228,7.167283279754013,1.2677905082591663,1.1868763415216441,186.22437511483855,142.70190208362794,67.41636493379036,1.304988738031712,2.762302228809423,2.1167249557844827,3.253688012594212,3.2201944036352645,5.261228038604414,0.6338231110100169,3.3468066412300743,3.79413405154817,1.9648033693046478,12.352541953292413,3.8080600654370675,2.6879060913318242,3.564863284135404,6.6571124928705645,1.87696542695652,0.0066838722963393415,3.96215598587167E-24,4.530132448623586E-67,9.990014880796824E-132,4.2491031628307606E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.28087428976921486,3.793901362233451,0.11790115263972696,4.327785163107604,0.5259030807817328,0.08441776222153585,0.25275371838388744,0.3211300845994386,0.01321962097279739,4.707505909184265E-5,2.790578857530843E-26,3.1906093243227646E-69,7.036049164186808E-134,2.9926781004949072E-220,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9066964460606864,3.7939173834684756,0.41156311893435127,5.412198172473335,0.7553950645958254,0.3654996924350217,0.7473679548615024,1.1931789749334012,0.13775864291687914,4.905584107983382E-4,2.9079983243079734E-25,3.324860913216263E-68,7.332105711324666E-133,3.118601317410064E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1591124596027553,3.7941086714451777,1.8222578920888777,11.66542288347365,3.4513064053962452,2.439958441474867,3.297904502488252,6.120200286665716,1.6723424033915828,0.005955209882659649,3.530209650568121E-24,4.036266453291713E-67,8.900923403132858E-132,3.785874419172986E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3363037369646853,3.7939377273056683,0.6378952992553596,6.320992253296276,1.043717658397597,0.632786399369058,1.1407837400534937,1.9168940724756158,0.2992301806380313,0.0010655584199201088,6.316560946406312E-25,7.222042193457083E-68,1.5926313369557217E-132,6.774018789591803E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.041753713735537,3.7942406656360403,2.5260568090750697,15.119006661938057,5.3058828808490555,3.7065023615374284,4.626178740366904,8.814266717687723,2.737377675052621,0.009747799583379676,5.778432135742333E-24,6.606772427344681E-67,1.4569497826330704E-131,6.196917625590147E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9956928173954471,3.140274201691987,0.8491912869764624,7.835403719708204,1.7147395512665076,1.1336438287495207,1.897012396864444,3.275844954866724,0.6013773172881383,0.002141504117730655,1.2694696999944837E-24,1.4514486307444746E-67,3.200787964655445E-132,1.3614072077421453E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.427091100919114,1.2510663002850184,0.5452108670006623,0.5746813791236788,0.2962247715179247,0.5108031512720119,0.47709067179637055,0.4399161549939431,4.223368268204794,5.041823269756977,10.920698102287677,0.36202206868551806,1.4278099780623257,1.8136506176718545,0.7701957555048267,0.1659769817437074,0.6595516815385992,0.28008917522890303,0.2868600912243637,0.1825532563038789,0.041462334592721126,2.7498233549203883,1.82572503000886,4.807395988787606,0.4893275223078988,0.5108756821209637,2.0713903708933077,0.9726156823398773,0.3255377475643151,0.6147391140613911,0.2886490693813446,0.3731175598629016,0.2899147801978137,0.1583355778939966,3.3695438007975,3.0056056331203176,7.030999512728425,0.42210867109208666,0.821367917954712,2.4132527706897586,1.2402506468323375,0.5366748048076927,0.5759308178896413,0.29598995102951575,0.5050412982478885,0.4689725336922643,0.426401201371179,4.190178222329789,4.953781543280813,10.750248016314073,0.363896226834462,1.4004150333113317,2.1800534768156217,1.0577825513221528,0.392706367072972,0.6004759728715614,0.2913566173245996,0.4128818699227807,0.34233083265280423,0.22972910726450452,3.6305423952107465,3.577541352512725,8.1136734773674,0.40071395930734205,0.9849418098400895,2.470014697691791,1.2846059677960482,0.5716830994532105,0.5709295583236623,0.2969292119998773,0.5288842931310239,0.5026991711098069,0.48314056127110433,4.326303764941049,5.319448800515991,11.45970053673545,0.35639433748549343,1.5147240255119352,2.4202685757572304,1.2424358302884437,0.5366321470186259,0.5763454643784469,0.2958647906850489,0.5079081624052697,0.4705173983616025,0.42600183695908805,4.1993365530643,4.972553326752835,10.785557984882393,0.3645181965676703,1.4044273977259603 +UMLCN0284,L,n-nonadecane,CCCCCCCCCCCCCCCCCCC,Alkanes,,C19H40,NREL (2014),Unknown,PubChem,,110,0,-4.793399999999998,22.976683559999984,61.2946,60.11171999999995,0,0,59,19,40,0,19,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2781.6608589999964,3081.037698000003,3371.784041000005,3232.9429599999994,3036.1862309999988,2839.429501999998,2642.672772999998,2445.916043999998,2249.1593149999962,9290.170910474499,12212.768886308688,16405.223063068413,17170.198150676297,16163.399805721214,15156.601460766084,14149.803115810955,13143.004770855825,12136.206425900695,412.00836399999974,420.43456800000035,809.418212000001,1129.4857600000032,1066.6008600000032,1003.7159600000032,940.8310600000032,877.9461600000026,815.0612600000021,70.77361619395995,94.74197239999992,140.03967575152706,156.36108246852436,147.3395536091281,138.31802474973188,129.2964958903356,120.27496703093959,111.25343817154364,9805.798846679962,8407.200318136003,17739.678580842294,26801.02959118581,25322.074436147228,23843.11928110865,22364.16412607007,20885.208971031494,19406.253815992914,86.25,105.0,175.75,220.5,208.25,196.0,183.75,171.5,159.25,47.146794220338926,53.1213396206897,29.577052991228115,19.956438024691355,19.844354450980383,19.718260430555542,19.575353874074057,19.41203209523808,19.223583888888857,157.46052390634745,210.56498079842567,143.9054654655124,105.98887747331048,105.64313598510597,105.25417681087558,104.81335641341448,104.30956167345893,103.72826005043329,6.983192610169487,7.248871862068972,7.100159754385973,6.972134320987674,6.971247450980413,6.970249722222245,6.969118962962987,6.967826666666687,6.966335555555574,1.1995528168467788,1.6334822827586193,1.2284182083467285,0.9651918670896565,0.9630036183603145,0.9605418385398047,0.9577518214098932,0.9545632304042825,0.9508840869362704,166.19998045220274,144.95172962303454,155.61121562142364,165.43845426657907,165.5037544846224,165.5772172299212,165.66047500792644,165.7556267542182,165.86541723070866,1.4618644067796611,1.8103448275862069,1.5416666666666667,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,0.0833416947036208,-0.0044138846237198074,-0.039942545416939014,-9.914503779510681E-5,-2.817692058737801E-6,-2.4474546643461423E-8,2.3201926491189795E-17,2.3201926491189795E-17,1.6263032587282567E-17,1559.4943532203415,-55.646542487790924,-721.2139697308264,-5.703770605000358,-5.842886961219364,-5.982003317438483,-6.12111967365783,-6.260236029877063,-6.399352386096297,2899.9463426069324,-103.47712194851832,-1341.1281736538951,-10.606404999725864,-10.865097804596498,-11.123790609466905,-11.382483414337539,-11.641176219207946,-11.899869024078807,0.3054942372881355,-0.010900775639193557,-0.14128086526860925,-0.0011173295030157534,-0.0011445814421136699,-0.0011718333812115863,-0.001199085320309475,-0.0012263372594073915,-0.0012535891985052802,12.964109431953204,-0.46259088071194393,-5.995466933327663,-0.047415565272981755,-0.04857204247476289,-0.04972851967654314,-0.0508849968783225,-0.05204147408010186,-0.05319795128188122,70.42124819019033,-2.5128010058957333,-32.567471537021255,-0.2575621031040809,-0.2638441056188041,-0.27012610813352733,-0.27640811064825055,-0.28269011316298087,-0.288972115677697,4.381355932203393,-0.6376041367423144,-1.7834673944268924,0.02068371157712793,0.01953461648950986,0.018385521401891793,0.017236426314273724,0.016087331226655656,0.014938236139038032,0.0014125710966715389,-7.610145902965185E-5,-3.5037320541174573E-4,-6.120064061426346E-7,-1.8416287965606545E-8,-1.699621294684821E-10,1.7186612215696145E-19,1.8414227373960154E-19,1.3900027852378263E-19,26.432107681700703,-0.9594231463412228,-6.326438330972161,-0.03520846052469356,-0.038188803668100416,-0.041541689704433914,-0.045341627212280224,-0.049684412935532246,-0.05469531953928459,49.15163292554123,-1.7840883094572124,-11.764282225034169,-0.06547163580077695,-0.07101371114115358,-0.07724854589907573,-0.08431469195805584,-0.09239028745403131,-0.10170828225708382,0.005177868428612466,-1.879444075723027E-4,-0.0012393058356895549,-6.8970956976281075E-6,-7.48092445825928E-6,-8.13773181396935E-6,-8.882113483773889E-6,-9.732835392122155E-6,-1.0714437594062224E-5,0.2197306683381899,-0.007975704839861103,-0.05259181520462862,-2.9268867452457876E-4,-3.174643299004111E-4,-3.4533694219821627E-4,-3.769259028023889E-4,-4.130275720643005E-4,-4.5468334428958306E-4,1.193580477799836,-0.043324155274064365,-0.28567957488615137,-0.0015898895253338328,-0.0017244712785542753,-0.0018758757509272732,-0.0020474674862833372,-0.002243572326690324,-0.002469847142544419,0.07426027003734564,-0.010993174771419215,-0.015644450828306074,1.276772319575798E-4,1.2767723195758078E-4,1.276772319575819E-4,1.2767723195758314E-4,1.2767723195758457E-4,1.2767723195759002E-4,-0.05387442742455285,-0.2480393420460995,-4.332570640760765E-4,-1.3037423750918522E-5,-1.2032111507092723E-7,1.2166900665172324E-16,1.3035964998398918E-16,9.840232385563526E-17,-0.03629764065335751,-0.23934672206832897,-0.0013320337881745558,-0.0014447884416927913,-0.001571637426900836,-0.0017153996101366834,-0.0018796992481204752,-0.002069275753486389,-0.036297640653361204,-0.23934672206833152,-0.0013320337881746176,-0.0014447884416928884,-0.0015716374269009114,-0.0017153996101367047,-0.0018796992481204318,-0.0020692757534863503,-0.03629764065338889,-0.23934672206834282,-0.0013320337881733988,-0.0014447884416916273,-0.0015716374268996344,-0.001715399610135336,-0.0018796992481190376,-0.0020692757534848012,-0.0362976406533548,-0.23934672206832763,-0.0013320337881742497,-0.001444788441692619,-0.0015716374269007564,-0.0017153996101366153,-0.0018796992481204544,-0.0020692757534864223,-0.036297640653376914,-0.23934672206833796,-0.0013320337881736518,-0.0014447884416918806,-0.0015716374268998881,-0.0017153996101356296,-0.0018796992481193817,-0.002069275753485148,-0.14803575001667413,-0.21067053513862052,0.001719320868256615,0.0017193208682566281,0.001719320868256643,0.0017193208682566598,0.0017193208682566793,0.0017193208682567526,1.57074266018004,1.4470399009413886,0.959570863324331,0.9585332058303174,0.9578042370271841,0.9569925885049134,0.9560651306260962,0.9549949869197687,1.5526315789473673,1.4613804247460744,0.9727907732293689,0.9711558307533532,0.9693165204678356,0.9672319688109154,0.9648496240601496,0.962100764732343,1.5526315789473695,1.4613804247460764,0.9727907732293702,0.9711558307533545,0.9693165204678369,0.9672319688109168,0.964849624060151,0.9621007647323443,1.5526315789473664,1.4613804247460767,0.97279077322937,0.9711558307533542,0.9693165204678361,0.9672319688109159,0.96484962406015,0.962100764732343,1.5526315789473695,1.4613804247460764,0.97279077322937,0.9711558307533539,0.9693165204678361,0.9672319688109161,0.9648496240601504,0.9621007647323438,1.5526315789473701,1.4613804247460767,0.9727907732293705,0.9711558307533547,0.9693165204678371,0.967231968810917,0.9648496240601513,0.9621007647323447,1.7117988394584127,1.2773422918999617,0.8580127516297722,0.8652229428199384,0.8733344079088753,0.8825274016763371,0.8930336802677221,0.9051563094116278,250.0324010879321,125.01620054396592,198.3369898780148,250.03240108793187,13.159600057259572,125.01620054396592,-2.7000623958883807E-13,7.771561172376096E-16,4.0902953538821554E-17,-66.1026917991814,2000090.626599441,105267.92771576006,27.566535796514916,250.0324010879321,125.01620054396592,198.3369898780148,250.03240108793187,13.159600057259572,125.01620054396592,-2.7000623958883807E-13,7.771561172376096E-16,4.0902953538821554E-17,-66.1026917991814,2000090.626599441,105267.92771576006,27.566535796514916,250.0324010879321,125.01620054396592,198.3369898780148,250.03240108793187,13.159600057259572,125.01620054396592,-2.7000623958883807E-13,7.771561172376096E-16,4.0902953538821554E-17,-66.1026917991814,2000090.626599441,105267.92771576006,27.566535796514916,250.0324010879321,125.01620054396592,198.3369898780148,250.03240108793187,13.159600057259572,125.01620054396592,-2.7000623958883807E-13,7.771561172376096E-16,4.0902953538821554E-17,-66.1026917991814,2000090.626599441,105267.92771576006,27.566535796514916,250.0324010879321,125.01620054396592,198.3369898780148,250.03240108793187,13.159600057259572,125.01620054396592,-2.7000623958883807E-13,7.771561172376096E-16,4.0902953538821554E-17,-66.1026917991814,2000090.626599441,105267.92771576006,27.566535796514916,250.0324010879321,125.01620054396592,198.3369898780148,250.03240108793187,13.159600057259572,125.01620054396592,-2.7000623958883807E-13,7.771561172376096E-16,4.0902953538821554E-17,-66.1026917991814,2000090.626599441,105267.92771576006,27.566535796514916,265.4531267008242,132.65200194690323,211.07873581140308,265.31970103138724,13.964194791125646,132.65200194690323,-0.14912280701776126,2.1094237467877974E-15,1.1102230246251565E-16,-64.20548702197026,2000090.4411672798,105267.91795617262,27.566535620362338,0,11.890000000000008,12.110360320944865,-0.17050522379881805,0.05008846780093955,5.117349963704112,7.633957897385928,18.0,58.0,58.0,58.0,18.0,0.0,0.0,0.0,0.0,0.0,43.72827999999999,3.553649602650055,3.4956380644118106,3.4009455403150954,3.272536821998103,3.1145090664719857,2.9320290720579116,2.731233870021583,2.519070979173046,1.9586023759480446,1.9172666877191733,1.850027867091866,1.7594778183107478,1.6493854478761882,1.524674120589389,1.391214457446277,1.255376239017402,3.5814808354632364,3.5245821822064936,3.4317588654439333,3.3059990364301535,3.1514352228481823,2.9732818597774004,2.777731760585638,2.571783260529585,1.9002151111637628,1.8565029301661131,1.7854521080115293,1.6898227860718358,1.5735438767978949,1.4416736683640812,1.300215286622176,1.1557210547602883,3.702841499572951,3.650927396239631,3.5664314676459563,3.45238117994473,3.312977637881785,3.1535314450865184,2.980331461030475,2.8003972888458577,1.726881995240926,1.675969700457881,1.593135798420611,1.4813994436265143,1.3449546974098223,1.1891066057860127,1.0201336726957546,0.8450236956546222,3.6019275622845486,3.545855607250221,3.4544189228287294,3.330620162420175,3.1786140406644465,3.003644757155707,2.8119387399243494,2.6105209333601125,1.862905160586086,1.8176566215579426,1.744118897352925,1.6451385570382253,1.5247309378975609,1.3880316521776503,1.241123417451245,1.0906711726648077,3.7613880081011173,3.7119160242539104,3.6314631915561026,3.5230256122343127,3.390774113091981,3.23999168624914,3.0769269883374175,2.908505746720596,1.6722423750045612,1.619057441696875,1.5324468898142294,1.4154401913880028,1.2722368196652285,1.1081424053032272,0.9294453755979732,0.7431900646326338,3.6204979752739965,3.576365644951595,3.5003548611002926,3.391832469737353,3.2527964153972184,3.0878067406496146,2.9034573924423395,2.7077619896689615,1.8210390328926684,1.7673213502917373,1.6809632917856172,1.5665372415008274,1.4300334561209398,1.2783798897400926,1.1188091898102537,0.9581949611683285,0,0,0,0,0,2,17,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.020815280171313,9.414213562373096,6.303300858899108,4.207106781186548,2.7980970388562802,1.8535533905932737,1.2222718241315031,0.801776695296637,0.737937646324806,0.5230118645762831,0.3707824034646534,0.26294417382415924,0.1865398025904187,0.13239667075666242,0.09402090954857717,0.06681472460805309,14.020815280171313,9.414213562373096,6.303300858899108,4.207106781186548,2.7980970388562802,1.8535533905932737,1.2222718241315031,0.801776695296637,0.737937646324806,0.5230118645762831,0.3707824034646534,0.26294417382415924,0.1865398025904187,0.13239667075666242,0.09402090954857717,0.06681472460805309,29.836556075717425,56.75673707210496,53.50980392156856,54.20000000000005,34.97108982035934,453.82240718562883,0.505704340266397,0.9619785944424569,0.9069458291791281,0.918644067796611,0.5927303359382938,7.691905206536082,7.657900000000008,89.83700000000009,125.01620054396592,198.3369898780148,250.03240108793187,13.159600057259572,125.01620054396592,7.771561172376096E-16,4.0902953538821554E-17,-66.1026917991814,2000090.626599441,105267.92771576006,27.566535796514916,486,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,17.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.800000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.590893160810531,0.0,24.909106839189466,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2954465804052653,0.0,1.373456790123457,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2954465804052653,0.0,1.49,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,29.5,1.5526315789473684,0.2,2.2954465804052653,0.2,1.373456790123457,13.98945534195947,0.12654320987654322,0.29544658040526517,1.1817863216210607,0.12654320987654322,0.29544658040526517,1.1817863216210607,9.5,0.5,0.0,0.0,0.42881,0.7,0.42881,0.42881,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.10526,0.0,0.0,9.0,0.47368,9.0,0.47368,0.0,0.0,-9.0,-0.47368,0.0,0.0,25.65601,1.35032,25.65601,0.0,0.0,9.41421,0.49548,9.41421,0.0,0.0,-2.1E-4,-1.0E-5,-2.1E-4,-1.0E-5,0.0,18.0,0,0,0,0,0,0,1.0,0.906579548498746,1.0629143697559047,1.6269333791759726,2.0043005204056263,2.170876330211346,2.256544921704082,53.48819336142601,62.71194781559838,95.98906937138239,118.25373070393195,128.0817034824694,133.13615038054084,0.15411092274196259,0.1806865316893928,0.27656503471725435,0.3407142849884553,0.3690307761316312,0.38359371846450474,4.976063500863096,4.819728679605937,4.255709670185869,3.8783425289562152,3.7117667191504955,3.6260981276577597,0.15475972852298456,0.18144722057650806,0.277729371353234,0.34214868946702304,0.3705843928167387,0.38520864502308616,6.700326184183171,8.576344039269074,10.799845825543038,12.018112900185734,12.659623290453471,12.938641616485011,75.21928437217133,69.9520312069355,66.77249998753075,63.757412554239075,62.81520621253483,62.71546490916308,19.0,18.0,18.0,19,0,19,3.55,2.7857,0.055555555555555566,4.73733078269703,0.0,0.0,29.494413321441016,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.08499999999999999,0.064,0.12700000000000003,0.04000000000000001,9.255,17.0,16.0,15.0,14.0,13.0,12.0,11.0,10.0,9.0,154.0,2.9444389791664403,2.8903717578961645,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,5.043425116919247,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.0,0.8888888888888888,18.0,1.0,2,9.0,18.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.027777777777777776,0.013071895424836607,0.0078125,0.005333333333333334,0.003968253968253968,0.0031397174254317113,0.0026041666666666665,0.0022446689113355773,0.0020000000000000005,0.0018365472910927456,0.08404039686301618,125.01620054396592,198.3369898780148,250.03240108793187,13.159600057259572,125.01620054396592,7.771561172376096E-16,4.0902953538821554E-17,-66.1026917991814,2000090.626599441,105267.92771576006,27.566535796514916,0.0,337.1801665922683,5.247927513443585,4.2626798770413155,4.919980925828125,5.58724865840025,6.255750041753367,6.928537818164665,7.601402334583733,8.27664912542186,8.951699168308815,9.62832676063802,99.41227471014015,3.6109179126442243,0.0,4.653960350157523,0.0,5.820082930352362,0.0,7.0431599159883405,0.0,8.298290634359283,8.640472207576408,268.3130012800003,4.547677987796615,36.82842843374334,1.9383383386180706,0.0,0.0,0.0,1140.0,16.0,11.151000000000003,70.0,1.2402413793103448,2.1429787622340606,2.865621605918497,3.6093733728956585,4.946534055289764,5.96654170401725,7.287903293178617,8.397394795725948,9.702514191849515,10.851631149705046,77.48041673886205,70.88508066911523,70.28853908513105,93.350834305025,116.93809178080593,139.89109818451792,162.76204709564405,184.74532868498554,206.2142669510357,226.4415108321399,288.24769836847616,329.6715902990699,336.8177814240442,453.115712735987,577.8167235285658,700.5402216353652,825.0378677272734,946.6087365519503,1067.438102504014,1184.2961370919643,9.02746003903449,15.26316043211596,20.03706499952748,25.363939817176835,34.61525625347778,41.78902304980957,50.94407080483606,58.70646715040951,67.74842358755053,75.7602870125485,2.1729292634689648,2.7619546887635673,2.954683621724617,3.9438647595293364,5.105671697106689,6.201295140416821,7.364804300729542,8.473445118902909,9.612843792143153,10.70034026990553,177.464763828096,330.0519453563384,470.20131147894136,582.2506708462749,809.0996711888251,972.9519766746481,1196.0331658010161,1377.389951562563,1597.705888023235,1787.6434234442881,2.311810344827586,3.379689552651015,4.0007954721082175,5.2155777282761715,6.948509499077581,8.436721716715786,10.176205865188207,11.749878156410292,13.482506837700626,15.092916958832639,0.45008922413793057,0.5833824484609902,0.6307648625276918,0.8399654428110505,1.0908647892610088,1.325008712497917,1.5762644076264951,1.814195938010045,2.0605486473150814,2.294808868887426,800.2650961320926,827.5165085329311,20.346862518733598,202.15193158084847,-209.03580753865543,-11.856087169131069,598.1131645512442,1036.5523160715866,32.20294968786467,0.7983354971113499,0.8255212009127048,0.020297802168380827,0.20166450288865012,-0.2085317804462878,-0.011827499774401536,802.1993590471433,829.5166388669713,20.39604144931278,202.64053840170394,-209.54105287847335,-11.884743660385903,0.025529369897261647,0.0630198596151603,0.38799146181068067,4.185750835317809,1002.417027712941,0.0,1.0,0.0,1117.4682446306992,33.42855433055249,10.377157225804659,1504.9496879022054,38.793681030577716,11.459719664321378,1920.5349629658085,43.82390857700632,12.430084259897384,4.810005859433711,4.810005859433711,12735.258760903855,12678.156512660913,120.4409076947486,1.0045039866944312,105.73864814420632,105.26453806536448,7.936067570243311,11.837186512466078,23.638492044490096,0.9969687914941383,11.156022137439745,17.073391666743113,5.96607209972875,80.60195006243102,33.19016908333511,0.14370214113577903,13.099003251006117,10.27362037127055,60.86556651462625,1.548691393812732,2.1939893430344863,62.15169816696359,5.665764755366935,70.64213337593009,2.7072297217506747,0.7711069975983257,31.665032153797146,4.699885611240728,66.78826130782727,4.287089183346243,1.7895338261328233,21.155343446913527,5.278308651064651,55.28244716280179,5.795343522759875,2.7609666658674197,12.415442128353645,4.252101282060447,39.30388052007617,7.251381243632426,0.9362476325702123,17.072554303036405,0.4285325848135198,17.26975014029095,0.23868899738395563,0.0013809327566454395,1.99367826952543,0.34669970806048045,16.032866097384254,0.0479777993637576,0.0231494847219689,4.089625857812205,0.15823790579011277,14.64252511317531,0.1143892988421634,0.08081393498278155,1.1104247441906356,0.0870089862639275,11.858895721494811,0.1862798025650632,0.20131838667022,0.314364753669902,0.0709023702752404,8.662237640380404,0.25181388517288156,0.2833764603941049,0.11863365226825602,0.06239343354290183,5.686604186449133,0.3067676712180973,3.0223214868751196,17.072611832246192,1.4309027122208928,21.670873677696235,2.448631415106269,0.011091334137718307,4.260275838044542,1.458862643692451,21.77569558448485,0.20890580014760152,0.17156624215239918,13.768496958924802,0.7198566130040549,23.374630423775063,0.44359614837114514,0.21052318352691246,4.568327255532775,0.48344327798209313,20.508522912129074,0.7156618831746739,0.5184476927180975,1.9685616159645152,0.4740486040588148,15.711130099335497,0.9674370294501679,0.700952238424024,0.9889435358448017,0.3954388284334952,10.577586263946436,1.1891418050189944,10.530374865348682,17.073300288692785,5.58179998005278,73.70846552609228,29.575236279562176,0.1281473489197287,12.419059718175804,9.342511354611004,56.91513323993067,1.4053812075033683,1.9568377139914523,57.82850241279065,5.129573992768961,66.2591991544505,2.4777278311559376,0.7248875847691107,28.81140255739258,4.224631830380264,62.51895222974293,3.927193388605803,1.6898070597508874,18.959718281165465,4.726100857821338,51.55554721116267,5.308830553259934,2.5781046856715095,11.08255785520944,3.81088629188654,36.548573113796664,6.63691171804202,4.45434578988845,17.072684993441726,2.156992277322362,27.22375048913786,5.306628152873946,0.023499782834614198,5.816294089916699,2.4937527046980614,26.730016398299277,0.36254998994580157,0.36095161152287847,21.057898436042038,1.272433362986232,30.17021972680274,0.7289844723139849,0.30288833036472373,7.767195001520197,0.9174499553577915,27.207117930303436,1.1704228069590272,0.7382430790175443,3.8760774199393033,0.9467030659692506,21.282562141157495,1.5821879435622022,1.0137794299771068,2.0732540296204545,0.7791051433659812,14.520328980581176,1.9537669032812763,13.47251237912461,17.07377554638099,7.440257118000548,109.55023969080204,48.388668827084544,0.20906310102513373,15.616622909628099,14.088283074591123,76.86134665833343,2.137708012966814,3.1904280880477085,79.0313214903703,7.877014516167493,87.95413156535467,3.6373260084702403,0.9467331510001962,43.346972546625636,6.678510836861407,83.62493637756694,5.743209122102767,2.1616127138563086,30.329068338020388,7.587909752739342,70.07252914709373,7.763750822580885,3.473431272621229,18.009152733593726,6.095462115107978,50.297254828700304,9.74144993416009,7.288750688654195,16.525231986935545,3.571662813897705,42.99962939051633,13.78177562849678,0.06007953060694178,8.644132191565523,5.001874765838439,37.95534964897123,0.7424438098397893,0.918854561535453,36.14129205714789,2.6695388135134617,44.54725400090855,1.380187877639667,0.47165998607491255,15.69556057993653,2.095056661041942,41.5704822709422,2.1994818178280577,1.125247268973751,9.258193516768545,2.2805557502811515,33.703211669524435,2.9732841196620123,1.6270490825912618,5.242714300532863,1.8514041426439865,23.712559545890272,3.6978737433707627,49.7446291402255,0.8157294852075083,0.5326006830508477,0.9736102549841057,0.015965594795212,0.5566694028718644,0.6844137199157407,0.644058343497747,51.09295930848385,67.506642259596,140.21155768470908,0.9604153824761585,1.885141466285352,47.13286821656181,0.3308661705499514,0.11795682336879836,0.9905673173336073,0.006953644608518523,0.4997498752491564,0.1125981138836092,0.03159132992464358,47.581691210480564,21.193342947373427,70.61453208290324,0.9858509760004108,0.6439393190574091,48.187073298143666,0.526575266873959,0.28532270282699074,0.9834303058065679,0.010746659638944745,0.522355360225196,0.2851985406706537,0.18483934944399133,48.99897126784462,39.27323085498001,95.5120149032237,0.9751454587098519,0.9923932503398409,49.68164716608237,0.8040371252866514,0.5226016480654967,0.9739917005851293,0.01576287284464601,0.5552606902684014,0.6649340764504982,0.6201022718977102,51.00828593943452,66.32979058130638,138.21386382377565,0.960987550877694,1.84029703861661,48.64971915238948,0.6124636804610724,0.35877248183714233,0.9804268951264883,0.012342843393016749,0.532433816752516,0.3858220689068296,0.2922537028078386,49.6209553146877,47.47010164112684,107.78110857262902,0.9706403426897325,1.2105095884671841,49.941273803264366,0.8522358063898448,0.563820042116046,0.9724273855726632,0.016594239072951267,0.561079222918323,0.7470435834664921,0.7217765896638307,51.35732965177026,71.20014047919807,146.5546331580349,0.9586410783589947,2.0298993960486458,49.806027314009825,0.8064863098003094,0.5247323598674474,0.9739677285301468,0.015771015710500533,0.5580444086975656,0.6689911692284851,0.6251690477221178,51.13724598367758,66.72590288693442,138.94053490060728,0.9609515927952201,1.8522046256481683 +UMLCN0285,L,2-methylhexane,CCCCC(C)C,Alkanes,,C7H16,NREL (2014),IQT,PubChem,,43.5,0,0.30379999999999874,0.09229443999999923,30.441499999999998,22.988687999999986,0,0,23,7,16,0,7,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1026.105871,1059.2981339999997,1168.3476059999982,938.4083559999999,684.2500590000005,478.3487540000002,160.52601600000003,18.289152,0.0,3461.9582231401955,4376.8872724242765,5667.785136559584,5590.535242852299,4361.573366138026,3075.02132130453,1843.095562910177,559.5073997567447,0.0,160.27903600000002,159.12520800000004,296.68783200000007,377.26196799999997,372.44823599999995,249.09716000000023,186.1885440000001,120.93235199999997,0.0,26.63610647758398,34.55010896000001,48.79381829818805,52.11632458667809,43.08272344001706,30.05967843697998,20.03172529273499,8.003032287282004,0.0,3846.242925017985,3210.726899946401,6654.7191059405895,8862.79710485468,9238.871443902419,6095.657420645581,4611.235352918536,3328.517736436482,0.0,36.52777777777778,43.16666666666667,65.91666666666669,80.66666666666667,71.33333333333333,51.0,39.0,18.0,0.0,44.613298739130435,48.149915181818166,27.817800142857102,17.377932518518517,12.671297388888899,13.287465388888895,5.945408000000001,1.016064,0.0,150.5199227452259,198.94942147383074,134.94726515618058,103.52843042319073,80.76987715070419,85.41725892512584,68.26279862630285,31.08374443093026,0.0,6.968653739130436,7.232964000000002,7.063996000000001,6.98633274074074,6.8971895555555545,6.9193655555555615,6.895872000000003,6.718463999999998,0.0,1.158091585981912,1.5704594981818187,1.161757578528287,0.9651171219755201,0.7978282118521678,0.8349910676938883,0.7419157515827774,0.4446129048490002,0.0,167.22795326165152,145.94213181574548,158.44569299858546,164.1258723121237,171.09021192411888,169.32381724015502,170.78649455253836,184.917652024249,0.0,1.5881642512077294,1.9621212121212124,1.5694444444444449,1.4938271604938274,1.3209876543209875,1.4166666666666667,1.4444444444444444,1.0,0.0,0.032479792655738526,-0.005563371981495918,-0.006666306465031193,-0.0117438597759058,0.005232375450621871,0.0013164868029892354,-0.008367378182062464,0.00955215782301501,0.0,589.5388264347827,-58.587709459356645,-129.07604740264617,-236.6394202381855,84.44869058790125,-17.393226245746895,-139.37466820604953,201.85296774669135,0.0,1096.27262196491,-108.94634752446328,-240.02242188983323,-440.0411067980275,157.03594623643295,-32.343446921325196,-259.17314704061766,375.3542129553769,0.0,0.115486608695652,-0.011476930056708506,-0.025285111531189317,-0.046356037807182865,0.016542918714554346,-0.003407213610586633,-0.027302540642722813,0.0395416105860096,0.0,4.9008486914386085,-0.4870408637454439,-1.073011902939193,-1.9671884887218614,0.7020237450080877,-0.14459025642443368,-1.1586245547694558,1.6780079758729958,0.0,26.621487874186396,-2.645613701782522,-5.8286176867395865,-10.685799092355893,3.813404124834946,-0.7854165677166713,-6.293666970256021,9.114965956922537,0.0,2.8454106280193265,-1.2579290065112378,0.3583805923125392,-1.2022684310018905,0.3557025834908631,0.8579080025204784,-1.3293950850661633,0.794896030245747,0.0,0.0014121648980755881,-2.528805446134508E-4,-1.587215825007427E-4,-2.174788847389963E-4,9.689584167818278E-5,3.656907786081209E-5,-3.099028956319431E-4,5.30675434611945E-4,0.0,25.63212288846881,-2.6630777026980295,-3.0732392238725277,-4.382211485892324,1.5638646405166898,-0.4831451734929693,-5.162024748372205,11.214053763705074,0.0,47.664027041952615,-4.952106705657422,-5.714819568805553,-8.148909385148658,2.908073078452462,-0.8984290811479221,-9.599005445948803,20.85301183085427,0.0,0.005021156899810956,-5.216786389412957E-4,-6.02026465028317E-4,-8.584451445774605E-4,3.063503465658212E-4,-9.464482251629536E-5,-0.0010112052089897338,0.0021967561436672,0.0,0.21308037788863515,-0.02213822107933836,-0.025547902450933163,-0.036429416457812246,0.013000439722371995,-0.0040163960117898245,-0.04291202054701688,0.09322266532627754,0.0,1.1574559945298433,-0.1202551682628419,-0.13877661158903778,-0.197885168376961,0.07061859490435085,-0.02181712688101865,-0.23309877667614895,0.5063869976068076,0.0,0.12371350556605767,-0.057178591205056264,0.008532871245536647,-0.022264230203738713,0.006587084879460427,0.023830777847791067,-0.049236855002450494,0.04416089056920816,0.0,-0.1790729573848358,-0.11239592679087176,-0.15400388795626008,0.06861510423480041,0.025895756161795406,-0.2194523430332108,0.3757885749285491,0.0,-0.10389610389610278,-0.11989795918367314,-0.17096560846560863,0.061011904761904434,-0.01884920634920657,-0.20138888888888942,0.43749999999999883,0.0,-0.10389610389610406,-0.11989795918367369,-0.17096560846560874,0.061011904761904684,-0.01884920634920647,-0.20138888888888914,0.43750000000000006,0.0,-0.10389610389608352,-0.11989795918366601,-0.17096560846560688,0.06101190476189962,-0.018849206349209818,-0.20138888888889434,0.4374999999999814,0.0,-0.10389610389610221,-0.11989795918367284,-0.17096560846560824,0.06101190476190434,-0.0188492063492067,-0.20138888888888926,0.43749999999999845,0.0,-0.10389610389610479,-0.11989795918367387,-0.17096560846560876,0.06101190476190502,-0.018849206349206157,-0.20138888888888884,0.437500000000001,0.0,-0.4621855224571691,0.06897283531409158,-0.17996604414261444,0.05324467081682693,0.192628749292586,-0.39799094510469707,0.3569609507640065,0.0,1.7170019216653367,1.2007722924290012,1.1650259363467717,0.7380866428166052,0.8680624760273308,1.1398091046748573,1.928907316705291E-5,0.0,1.6428571428571437,1.2908163265306132,1.171296296296297,0.7529761904761908,0.8784722222222225,1.0039682539682542,0.0,0.0,1.6428571428571428,1.290816326530612,1.1712962962962958,0.7529761904761905,0.8784722222222223,1.0039682539682542,0.0,0.0,1.6428571428571432,1.2908163265306123,1.1712962962962963,0.7529761904761906,0.8784722222222224,1.0039682539682542,0.0,0.0,1.6428571428571432,1.2908163265306125,1.1712962962962967,0.7529761904761907,0.8784722222222224,1.0039682539682544,0.0,0.0,1.642857142857144,1.2908163265306132,1.171296296296297,0.752976190476191,0.8784722222222227,1.0039682539682544,0.0,0.0,2.069609507640066,0.7977201067184079,1.1812393887945658,0.6920392378796446,0.7338002263723818,1.7181663837011867,0.0,0.0,30.80953372865898,15.404766864329497,24.297933041903924,30.80953372865899,4.401361961236999,15.404767428568496,1.4210854715202004E-14,0.07722462758314846,0.011032089654735495,-1.7927258038759395,25.111161609085254,3.5873088012978935,2.256318703040721,30.80953372865898,15.404766864329497,24.297933041903924,30.80953372865899,4.401361961236999,15.404767428568496,1.4210854715202004E-14,0.07722462758314846,0.011032089654735495,-1.7927258038759395,25.111161609085254,3.5873088012978935,2.256318703040721,30.80953372865898,15.404766864329497,24.297933041903924,30.80953372865899,4.401361961236999,15.404767428568496,1.4210854715202004E-14,0.07722462758314846,0.011032089654735495,-1.7927258038759395,25.111161609085254,3.5873088012978935,2.256318703040721,30.80953372865898,15.404766864329497,24.297933041903924,30.80953372865899,4.401361961236999,15.404767428568496,1.4210854715202004E-14,0.07722462758314846,0.011032089654735495,-1.7927258038759395,25.111161609085254,3.5873088012978935,2.256318703040721,30.80953372865898,15.404766864329497,24.297933041903924,30.80953372865899,4.401361961236999,15.404767428568496,1.4210854715202004E-14,0.07722462758314846,0.011032089654735495,-1.7927258038759395,25.111161609085254,3.5873088012978935,2.256318703040721,30.80953372865898,15.404766864329497,24.297933041903924,30.80953372865899,4.401361961236999,15.404767428568496,1.4210854715202004E-14,0.07722462758314846,0.011032089654735495,-1.7927258038759395,25.111161609085254,3.5873088012978935,2.256318703040721,37.67959715839531,18.747536674435754,30.097471051662925,37.54779443730688,5.363970633900983,18.747536691995943,-0.1845238095238031,0.06039553030781636,0.008627932901116622,-1.9647881248140848,26.33453469107591,3.7620763844394154,2.289616828756877,0,11.889999999999997,12.11009425580983,-0.16472169156838729,0.05597035343999972,5.126994334349671,7.491492999149201,6.0,22.0,22.0,22.0,6.0,0.0,0.0,0.0,0.0,0.0,17.491311999999997,3.4972271792365563,3.1420664856845457,2.532459519534727,2.33355279310305,1.8412962268867823,1.2936344395185948,0.9687506274751279,0.08392307051869144,1.9157972609293734,1.6930839464307825,1.3076339152252625,1.249629722584356,0.8849136458128086,0.5917547763594811,0.37871251046646814,0.08392307051869088,3.525573412725685,3.1803729496592243,2.589675666419137,2.4054545878412865,1.9240936318889545,1.4045508488329652,1.094121287370024,0.2709139018929377,1.8548586938535399,1.6154576476811866,1.2051879299633097,1.1345406859483502,0.7560831051246427,0.4413186573983498,0.21999835151734115,0.27091390189293685,3.650070151806071,3.347508358998186,2.8343147358508483,2.7042369872335175,2.2677539669871885,1.8487416533230034,1.5850861957726157,0.9439184268026234,1.674881991266513,1.3805010063716163,0.8814597929385238,0.7603185604308967,0.33194634569281045,0.07101327913203581,0.32781135521524807,0.9439184268026215,3.54645057901925,3.2085447634181072,2.6315216086792086,2.457539916041693,1.9841046156136186,1.4839826208965519,1.1831612135636387,0.3992772455089826,1.8159857739853669,1.565413161970905,1.1379900839148573,1.0582626705327125,0.6702730552732414,0.3399074727880045,0.11253238020411434,0.3992772455089814,3.710568777640463,3.427721511117403,2.9482178324452124,2.8389820851496492,2.4217352943242574,2.039930890095117,1.791956841340166,1.2076448229620884,1.6185555555288076,1.305428883404991,0.7736028611516967,0.6313372621875596,0.18411643917503367,0.25703841300295055,0.530403117067502,1.207644822962087,3.5361882670276383,3.2688363237007776,2.720209556284044,2.6444473435212075,2.064607439039842,1.5760047973928233,1.279868995789094,0.5915492957746485,1.8134522912938162,1.4903321625340604,1.0226538163137862,0.8697994561972608,0.5548101525130807,0.21369994455307878,0.015430171072195647,0.5915492957746472,0,0,0,0,0,3,3,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.2886751345948129,0.20412414523193154,0.20412414523193154,0.2886751345948129,0.20412414523193154,0.20412414523193154,5.698670612749268,3.270055610029662,2.5360753753054386,1.135027805014831,0.6123724356957946,0.4082482904638631,0.0,0.0,0.814095801821324,0.545009268338277,0.4226792292175731,0.28375695125370776,0.20412414523193154,0.20412414523193154,0.0,0.0,5.698670612749268,3.270055610029662,2.5360753753054386,1.135027805014831,0.6123724356957946,0.4082482904638631,0.0,0.0,0.814095801821324,0.545009268338277,0.4226792292175731,0.28375695125370776,0.20412414523193154,0.20412414523193154,0.0,0.0,11.334622430286998,22.102694828841948,20.80392156862746,21.080000000000002,13.388435928143707,177.48334610778446,0.4928096708820434,0.9609867316887803,0.9045183290707591,0.9165217391304349,0.5821059099192916,7.716667222077585,2.832600000000001,34.362999999999985,15.404766864329497,24.297933041903924,30.80953372865899,4.401361961236999,15.404767428568496,0.07722462758314846,0.011032089654735495,-1.7927258038759395,25.111161609085254,3.5873088012978935,2.256318703040721,47,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,3.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.785416666666666,0.0,4.145185185185185,0.0,0.0,0.0,0.9027314814814813,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.238472222222222,0.0,1.3454166666666667,0.0,0.0,0.0,0.9027314814814813,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2734722222222223,0.0,1.400462962962963,0.0,0.0,0.0,0.9027314814814813,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.833333333333332,1.6904761904761902,0.2,2.2734722222222223,0.2,0.9027314814814813,5.312940138888888,0.4306018518518519,0.2734722222222222,1.5708333333333333,0.4306018518518519,0.2734722222222222,1.5708333333333333,3.5,0.5,0.0,0.0,0.42174,0.7,0.42174,0.42174,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.42857,0.14286,0.0,3.0,0.42857,3.0,0.42857,0.0,0.0,-3.0,-0.42857,0.0,0.0,7.02591,1.0037,7.02591,0.0,0.0,3.27005,0.46715,3.27005,0.0,0.0,0.14395,0.02056,0.14395,0.02056,0.0,6.0,0,0,0,0,0,0,1.0,0.8865408928220899,1.3274847819558417,2.5218619553045025,3.0879293469851055,2.653146738289453,2.3380660925358105,20.39044053490807,30.53214998498436,58.00282497200356,71.02237498065743,61.022374980657425,53.77552012832364,0.19598292262472913,0.2934600641820215,0.5574947308785613,0.6826322656751486,0.5865171659110164,0.5168639482001919,3.637021063234923,3.1960771741011715,2.0017000007525105,1.4356326090719076,1.87041521776756,2.1854958635212025,0.1988013201316891,0.29768026409641224,0.565511969006294,0.6924490856816204,0.5949517708044137,0.5242968818636737,6.634953581644547,11.92628025124957,16.719080021498648,15.017117979201256,13.98386820741592,12.210038602433892,27.765075162887893,20.806172767965645,17.575220926044228,19.1554731271758,21.36755301839727,14.279814423654074,7.0,4.166666666666667,6.0,7,0,6,2.23,1.0949000000000004,0.814325284978472,3.639717276513833,1.8898815748423097,0.0,2.381101577952299,1.6509636244473134,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.103,0.084,0.08800000000000005,0.024999999999999994,3.0389999999999997,6.0,4.0,3.0,2.0,0.0,0.0,0.0,0.0,0.0,28.0,1.9459101490553132,1.9459101490553132,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.0,0.0,0.0,0.0,0.0,3.367295829986474,1.0,0.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.5,6.0,1.0,0,3.0,5.0,0.6666666666666666,1.5,0.44444444444444464,0.25,0.16000000000000003,0.0,0.0,0.0,0.0,0.0,0.0,0.25,0.07407407407407411,0.0625,0.053333333333333344,0.0,0.0,0.0,0.0,0.0,0.0,0.43990740740740747,15.404766864329497,24.297933041903924,30.80953372865899,4.401361961236999,15.404767428568496,0.07722462758314846,0.011032089654735495,-1.7927258038759395,25.111161609085254,3.5873088012978935,2.256318703040721,0.0,129.62835108186675,3.807354922057604,3.2188758248682006,3.8066624897703196,4.48863636973214,5.10594547390058,5.7899601708972535,6.418364935936212,7.10085190894405,7.734121303328305,8.415160465851086,65.07857894322815,2.5649493574615367,0.0,3.6109179126442243,0.0,4.795790545596741,0.0,6.042632833682381,0.0,7.321849713788356,7.653494909661253,100.12520051199999,4.353269587478261,12.670365275467146,1.8100521822095923,0.0,0.0,0.0,52.0,4.0,4.262,24.0,1.2248181818181816,2.111425560360458,2.8681502801601435,3.5055960035681295,4.583763999974041,5.606109700520502,6.368471560361217,0.0,0.0,0.0,69.72220730918178,66.73106956187895,57.669626503733014,55.78784930697624,72.0583420450715,35.568902267950016,6.470774687506857,0.0,0.0,0.0,268.7875960232532,308.32153239731934,318.48654411912685,321.2462046886142,431.4218164931315,399.5708236027169,197.95594239791566,0.0,0.0,0.0,8.893455721090907,14.970343838581678,20.083454696950017,24.28782136990316,31.839555848807045,38.73957148377532,42.78634691331066,0.0,0.0,0.0,2.05977114874909,2.597411394926325,2.8971889896174576,3.0465636058417838,4.095354511764395,4.294258938066266,2.8315046399004427,0.0,0.0,0.0,176.6115070737156,330.54077565257205,467.5060400480615,591.5953955750394,766.8304209570387,951.0312158372864,1177.6428079252012,0.0,0.0,0.0,2.4602803030303027,3.4294946634045687,4.380938342426519,4.833811803042875,6.787786519838775,8.299525206717258,6.368471560361217,0.0,0.0,0.0,0.4279111363636364,0.5495351260145235,0.6214348880237943,0.6592018039346632,0.8855220495516067,0.9446796069859731,0.6521314877809884,0.0,0.0,0.0,384.702419398399,152.1280071488018,9.347763553348004,164.19340926938548,-64.92918910720836,-9.846918523916568,220.50901012901352,217.05719625601017,19.194682077264574,0.7008659918806515,0.2771527841959175,0.017030123140188178,0.29913400811934826,-0.11829054934667084,-0.017939503289387076,211.16155328618584,83.50242854752022,5.130948421805468,90.12507744270805,-35.63936105972843,-5.404932503009342,0.0743151145376763,0.16479178267060993,1.2691699693108796,10.945396358850044,548.8958286677846,0.0,1.0,0.0,372.4894148768997,19.299984841364505,7.195118958220815,527.481992185502,22.966976121934337,8.079836002258588,586.8869358607552,24.225749438577854,8.372429142972598,1.797339331228562,1.797339331228562,521.676957331976,474.27492637160924,81.91748164445409,1.0999463145205906,6.368322693270859,5.789666831191194,4.136657848791488,4.466158665423345,7.636289769507168,0.7098115722190376,4.462408854974311,5.691193727061776,2.6038422967090775,19.568251011544852,7.346172765921744,3.228350448642152,4.423540967171899,11.388326047507089,4.94612521892711,2.934331450272898,3.4530319645068737,0.41075747246571487,1.952300582088577,1.2676777684879954,3.597159703075308E-6,7.995820946993893E-33,3.428011782949732E-81,2.8346370330024104E-151,4.5209375932365845E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3744990530265,5.690851943446994,0.1624616321264017,6.332239363427834,0.5511295035780402,0.09044613341321046,0.43837638719704874,0.5153677778775809,2.050598106632173,0.10068710369587042,0.07403715315609068,0.010595825157392052,0.1307501938465948,0.008928358175495341,2.5335089911548482E-8,5.631522071025826E-35,2.414376727967612E-83,1.9964580398341465E-153,3.1841333124917024E-245,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2089285947484616,5.690875412067824,0.5613860154290883,7.766265760554495,1.0158617899930251,0.41082354302995544,1.0733476703459202,1.9136331292236701,2.47688991250128,0.4207251846070838,0.38050635892712087,0.03740244075813044,0.4438833965507518,0.09304037598899745,2.640111703353308E-7,5.868480190642837E-34,2.5159666999664363E-82,2.0804632052311433E-152,3.3181124095851594E-244,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.212149946137885,5.691156425074411,2.4192135332798115,18.309472482752188,6.603912652335537,2.9229967682455333,4.116429694862415,10.432200180601225,4.7105810898192075,2.6694553303322492,3.110589162031347,0.3668469385706843,1.820026094118951,1.1294780690322697,3.2050045338226384E-6,7.124132510669613E-33,3.0542967822525127E-81,2.525610562896957E-151,4.028074002681864E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.781738315953793,5.690905268989325,0.8647530121595282,9.12709394683501,1.6087302286383593,0.7258075246901083,1.5622316693409155,3.1173111004013028,2.818442670124032,0.717136440427491,0.7046844037269974,0.07209783802817166,0.67626403740791,0.20209612931978432,5.734675408907019E-7,1.2747123159293762E-33,5.465015872472587E-82,4.519044087044184E-152,7.207383541790543E-244,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.38900495164826,5.691350435791984,3.3273714777319348,24.73815597616452,10.464885717191338,4.487528446561506,5.632329175282151,15.258260663549468,5.8844139821534975,4.018829110583921,4.8748880242121695,0.5953803330714983,2.4656254378020437,1.8487888869891698,5.2461193602085865E-6,1.1661153391361632E-32,4.999433015493015E-81,4.134051708987146E-151,6.593362594909712E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.7652151677714367,4.9233104025784655,1.2422511153248201,11.819224311287009,2.9387773420489784,1.4311665474660968,2.2745197410207516,5.246753633182833,3.5915542478010294,1.2920435174007212,1.433204595478703,0.15202354555064992,1.215712266425419,0.44359920325586727,1.258756142873407E-6,2.7979821762541625E-33,1.1995661148826282E-81,9.919261508066362E-152,1.5820142659133782E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.3995674238673175,1.1452435962573313,0.5711163233323486,0.7588002467214832,0.1609408782553644,0.548336668736635,0.46143489710875435,0.420600829182546,7.115927343456997,9.921668421462368,20.5692763158888,0.6382003700822247,1.4303723950279355,4.564541268960928,0.646523158599551,0.1725722014064011,0.8478546349880346,0.12009041530048782,0.3927665455465564,0.14833374663277676,0.03894567584369854,5.383636628966881,3.8503664987013213,9.743277782600169,0.7717819524820521,0.5800459680230317,4.910239005534773,0.8531590802165128,0.33775178787673155,0.8048055050670186,0.13983578471072472,0.45402289495512754,0.2573669628004904,0.1483415730838314,6.101149873628017,6.13581300131312,13.651877728831336,0.707208257600528,0.8597314308394493,5.380257049680638,1.1337253429792775,0.5619160174701919,0.7603638065207481,0.16022351894654058,0.5444456507789022,0.45228791289431736,0.4072958260231806,7.075898410130107,9.760044812920267,20.263481330136113,0.6405457097811221,1.4040293896964,5.05819075470351,0.9415203754940534,0.40836285796252575,0.7893464969426544,0.14692720109562693,0.48159854533941276,0.312958127346153,0.21630835504834986,6.408073988160089,7.212448842766051,15.565305882679557,0.6840197454139815,1.0108650277339155,5.459607676078174,1.1810522928460214,0.5997177028726135,0.7540501232891198,0.16312026062487503,0.5605235293496669,0.49044546345716267,0.4632970957119985,7.240377671796809,10.430603505993206,21.53801020104112,0.6310751849336796,1.514266088518828,5.398490030547711,1.1370252092247106,0.5625352293915672,0.7605595443425393,0.16018838048056733,0.5481005656407368,0.45478164881453254,0.4077859182866398,7.098050469163989,9.814676821078487,20.365691867742765,0.640839316513809,1.4106681327419093 +UMLCN0286,L,n-pentane,CCCCC,Alkanes,,C5H12 ,NREL (2014),"20% Blend, CFR",PubChem,,30,0,-0.7614000000000001,0.5797299600000001,20.5322,16.801516,0,0,17,5,12,0,5,0,0,0,0,0.0,0.0,0.0,0.0,0.0,733.5133730000002,722.3415399999999,659.8645229999998,478.3487540000002,281.5920250000005,84.835296,9.144576,0.0,0.0,2490.589441917814,3070.907003443543,3615.5634997957,3075.02132130453,2068.2229763493997,1061.4246313942745,279.75369987837234,0.0,0.0,118.32414799999997,115.573648,211.20510000000016,249.09716000000023,186.21226000000007,123.32735999999997,60.46617599999999,0.0,0.0,19.279854858187992,24.518131720000007,32.41201372364101,30.05967843697998,21.038149577583987,12.016620718188005,4.001516143641,0.0,0.0,2852.9836047409885,2344.6479969148004,4800.847795320442,6095.657420645581,4616.702265606985,3137.747110568388,1664.258868218241,0.0,0.0,26.75,31.5,46.25,49.0,37.0,24.0,9.0,0.0,0.0,43.14784547058825,45.14634624999999,21.995484099999995,13.287465388888895,10.429334259259278,4.713072,1.016064,0.0,0.0,146.50526128928317,191.93168771522144,120.51878332652333,85.41725892512584,76.6008509759037,58.96803507745969,31.08374443093026,0.0,0.0,6.960243999999998,7.223353,7.040170000000005,6.9193655555555615,6.896750370370373,6.851519999999998,6.718463999999999,0.0,0.0,1.134109109305176,1.5323832325000004,1.0804004574547004,0.8349910676938883,0.7791907250957032,0.6675900398993336,0.444612904849,0.0,0.0,167.82256498476403,146.54049980717502,160.02825984401474,169.32381724015502,170.9889728002587,174.319283920466,184.917652024249,0.0,0.0,1.5735294117647058,1.96875,1.5416666666666667,1.3611111111111112,1.3703703703703705,1.3333333333333333,1.0,0.0,0.0,0.024802919497732553,-0.004412370561484932,-0.010659830752287226,-5.802735981846885E-5,-2.299457211755024E-4,-0.0017681406658447783,0.004726855311744638,0.0,0.0,427.2917964705883,-60.32354773702403,-177.20042147750848,-21.78350334948093,-23.45915745328719,-25.13481155709343,94.25554333910026,0.0,0.0,794.5673415501982,-112.1742129247337,-329.51175046640554,-40.507354667265176,-43.62330502628548,-46.73925538530584,175.27220769489648,0.0,0.0,0.08370352941176468,-0.011816968858130245,-0.03471234602076048,-0.004267238754325648,-0.004595487889273822,-0.004923737024221995,0.018464013840829806,0.0,0.0,3.5520857112317654,-0.501470923938603,-1.4730708390696434,-0.18108672253338298,-0.19501647042056658,-0.2089462183077504,0.783548318654066,0.0,0.0,19.29498595923174,-2.723998017773818,-8.001744177210771,-0.9836659508628227,-1.059332562467655,-1.1349991740724894,4.256246902771671,0.0,0.0,2.029411764705882,-0.7041522491349474,-0.5666089965397927,0.05536332179930779,0.291522491349481,-0.47231833910034665,0.3814878892733562,0.0,0.0,0.001458995264572503,-2.7577316009280825E-4,-3.5532769174290754E-4,-1.6118711060685792E-6,-8.516508191685275E-6,-9.823003699137657E-5,5.252061457494043E-4,0.0,0.0,25.13481155709343,-3.770221733564002,-5.906680715916949,-0.6050973152633592,-0.8688576834550811,-1.3963784198385238,10.472838148788917,0.0,0.0,46.739255385305775,-7.010888307795856,-10.98372501554685,-1.1252042963129216,-1.6156779639364993,-2.596625299183658,19.474689743877388,0.0,0.0,0.004923737024221451,-7.385605536331403E-4,-0.0011570782006920161,-1.1853440984237912E-4,-1.702032551582897E-4,-2.7354094579011085E-4,0.002051557093425534,0.0,0.0,0.2089462183077509,-0.03134193274616269,-0.04910236130232145,-0.005030186737038416,-0.007222832237798762,-0.011608123239319467,0.08706092429489623,0.0,0.0,1.1349991740724554,-0.17024987611086362,-0.2667248059070257,-0.027324054190633964,-0.039234539350653894,-0.06305550967069386,0.4729163225301856,0.0,0.0,0.11937716262975775,-0.044009515570934216,-0.018886966551326424,0.001537870049980772,0.010797129309240037,-0.026239907727797038,0.04238754325259513,0.0,0.0,-0.18901580203114088,-0.24354273133780274,-0.0011047815885412554,-0.0058372418324336905,-0.06732718013321225,0.3599779646325951,0.0,0.0,-0.1499999999999995,-0.23499999999999976,-0.02407407407407403,-0.034567901234567884,-0.05555555555555556,0.4166666666666662,0.0,0.0,-0.14999999999999977,-0.23499999999999988,-0.024074074074074178,-0.034567901234567974,-0.055555555555555636,0.4166666666666663,0.0,0.0,-0.14999999999998428,-0.23499999999999494,-0.024074074074076277,-0.034567901234571416,-0.05555555555556169,0.4166666666666523,0.0,0.0,-0.15000000000000027,-0.23499999999999996,-0.024074074074073925,-0.03456790123456774,-0.05555555555555542,0.4166666666666668,0.0,0.0,-0.14999999999999586,-0.23499999999999882,-0.024074074074074758,-0.03456790123456888,-0.05555555555555722,0.416666666666663,0.0,0.0,-0.3686594202898548,-0.15821256038647355,0.012882447665056324,0.09044551798174989,-0.21980676328502452,0.35507246376811585,0.0,0.0,1.7376492354994908,1.3204758749710224,0.8549354811815885,0.842596686737308,0.8364193399129414,0.0,0.0,0.0,1.7000000000000004,1.3600000000000008,0.8814814814814818,0.8395061728395063,0.7555555555555555,0.0,0.0,0.0,1.6999999999999988,1.3599999999999988,0.8814814814814808,0.8395061728395056,0.7555555555555551,0.0,0.0,0.0,1.6999999999999984,1.3599999999999985,0.8814814814814805,0.8395061728395055,0.7555555555555549,0.0,0.0,0.0,1.7,1.36,0.8814814814814815,0.8395061728395061,0.7555555555555554,0.0,0.0,0.0,1.7000000000000002,1.3600000000000005,0.8814814814814816,0.8395061728395061,0.7555555555555555,0.0,0.0,0.0,1.9710144927536237,1.0512077294685993,0.7665056360708538,0.8030059044551799,1.3140096618357493,0.0,0.0,0.0,16.576431503800357,8.288215751900175,13.524283729399965,16.576431503800354,3.3152863007600706,8.288774052044314,-5.329070518200751E-15,2.220446049250313E-16,4.4408920985006264E-17,-18.021826694558577,2000004.2294850536,400000.8458970107,7.254329926632255,16.576431503800357,8.288215751900175,13.524283729399965,16.576431503800354,3.3152863007600706,8.288774052044314,-5.329070518200751E-15,2.220446049250313E-16,4.4408920985006264E-17,-18.021826694558577,2000004.2294850536,400000.8458970107,7.254329926632255,16.576431503800357,8.288215751900175,13.524283729399965,16.576431503800354,3.3152863007600706,8.288774052044314,-5.329070518200751E-15,2.220446049250313E-16,4.4408920985006264E-17,-18.021826694558577,2000004.2294850536,400000.8458970107,7.254329926632255,16.576431503800357,8.288215751900175,13.524283729399965,16.576431503800354,3.3152863007600706,8.288774052044314,-5.329070518200751E-15,2.220446049250313E-16,4.4408920985006264E-17,-18.021826694558577,2000004.2294850536,400000.8458970107,7.254329926632255,16.576431503800357,8.288215751900175,13.524283729399965,16.576431503800354,3.3152863007600706,8.288774052044314,-5.329070518200751E-15,2.220446049250313E-16,4.4408920985006264E-17,-18.021826694558577,2000004.2294850536,400000.8458970107,7.254329926632255,16.576431503800357,8.288215751900175,13.524283729399965,16.576431503800354,3.3152863007600706,8.288774052044314,-5.329070518200751E-15,2.220446049250313E-16,4.4408920985006264E-17,-18.021826694558577,2000004.2294850536,400000.8458970107,7.254329926632255,19.162768098205774,9.531384049102888,15.75236882701165,19.102768098205775,3.820553619641155,9.531534189993558,-0.09999999999999964,1.1102230246251565E-16,2.2204460492503132E-17,-18.36840028483855,2000004.098599896,400000.8197199792,7.2543298939110334,0,11.889999999999999,12.110055527006956,-0.1705084810009635,0.049754285180420646,4.958848988607048,6.384508432323282,4.0,16.0,16.0,16.0,4.0,0.0,0.0,0.0,0.0,0.0,13.118483999999997,3.393942979969189,2.902564077577704,2.2348288923346553,1.5980269148551993,1.1872585431812512,0.08392307051869147,0.08392307051869134,0.0839230705186912,1.8659297546083602,1.5630263350622526,1.1444440362872346,0.7697185163332705,0.553887413033428,0.08392307051869104,0.08392307051869105,0.08392307051869118,3.42670686769594,2.950308951251466,2.3050782113236647,1.6953097213903001,1.3078909928406965,0.2709139018929374,0.2709139018929373,0.2709139018929372,1.7988134978281451,1.4734536838206151,1.0290239660714369,0.6303371850352759,0.3990969022819083,0.2709139018929369,0.27091390189293696,0.2709139018929371,3.5692834818699497,3.155598407702862,2.5996811889418416,2.09011734434169,1.782051108154083,0.9439184268026232,0.9439184268026226,0.9439184268026222,1.5974274877946721,1.195492746415068,0.6553677412071494,0.16238615202424034,0.13353473044381,0.9439184268026218,0.9439184268026218,0.9439184268026221,3.4507691463874766,2.9852679791260983,2.3561415432978805,1.7652768165580859,1.393671185411709,0.3992772455089823,0.3992772455089822,0.3992772455089821,1.7557229360528765,1.4151331810518293,0.9526301911563524,0.5368571236143947,0.2943970113608897,0.3992772455089813,0.39927724550898164,0.39927724550898186,3.6377446592328138,3.2522175179205757,2.733638931316385,2.262776160355088,1.9826702353057684,1.2076448229620889,1.2076448229620882,1.2076448229620882,1.5334042271730237,1.1044071629954342,0.5274568069301678,0.004703130643947086,0.3297416771344814,1.2076448229620864,1.2076448229620873,1.2076448229620877,3.4561675510688454,3.0880175909043115,2.4688178387518893,1.8594152763658618,1.4954575064023898,0.5882352941176474,0.5882352941176471,0.5882352941176471,1.7347803426175177,1.3008636641066773,0.816419180913135,0.4112750855164383,0.16336101975129824,0.5882352941176463,0.5882352941176465,0.5882352941176467,0,0,0,0,0,2,3,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.121320343559642,2.414213562373095,1.3535533905932737,0.7071067811865475,0.35355339059327373,0.0,0.0,0.0,0.8242640687119284,0.6035533905932737,0.45118446353109126,0.35355339059327373,0.35355339059327373,0.0,0.0,0.0,4.121320343559642,2.414213562373095,1.3535533905932737,0.7071067811865475,0.35355339059327373,0.0,0.0,0.0,0.8242640687119284,0.6035533905932737,0.45118446353109126,0.35355339059327373,0.35355339059327373,0.0,0.0,0.0,8.250966822715249,16.32702112163146,15.352941176470594,15.560000000000006,9.79132694610778,131.42683592814373,0.4853509895714852,0.9604130071547918,0.9031141868512114,0.9152941176470591,0.5759604085945753,7.730990348714337,2.1965000000000003,25.19899999999999,8.288215751900175,13.524283729399965,16.576431503800354,3.3152863007600706,8.288774052044314,2.220446049250313E-16,4.4408920985006264E-17,-18.021826694558577,2000004.2294850536,400000.8458970107,7.254329926632255,24,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.423611111111111,0.0,4.076388888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2118055555555554,0.0,1.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2118055555555554,0.0,1.3888888888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.5,1.7,0.2,2.2118055555555554,0.2,1.34375,3.8758194444444447,0.15625,0.21180555555555555,0.8472222222222223,0.15625,0.21180555555555555,0.8472222222222223,2.5,0.5,0.0,0.0,0.41765,0.7,0.41765,0.41765,0.7,-0.0,0.0,0.0,0.0,0.71429,0.0,0.0,0.4,0.0,0.0,2.0,0.4,2.0,0.4,0.0,0.0,-2.0,-0.4,0.0,0.0,4.09272,0.81854,4.09272,0.0,0.0,2.41421,0.48284,2.41421,0.0,0.0,-2.1E-4,-4.0E-5,-2.1E-4,-4.0E-5,0.0,4.0,0,0,0,0,0,0,1.0,0.8739810481273578,1.1595547523787308,2.027489311329523,2.116299605701696,1.540007324184224,1.3846928876868903,14.857677818165083,19.712430790438425,34.467318292601895,35.977093296928835,26.180124511131808,23.539779090677133,0.21381993722541345,0.2836856987852218,0.4960263591556765,0.5177538458195079,0.376763626727709,0.3387658656398495,3.213481793122982,2.927908088871609,2.059973529920817,1.971163235548644,2.547455517066116,2.7027699535634495,0.21849526203183944,0.2898886880946827,0.5068723278323808,0.529074901425424,0.385001831046056,0.34617322192172256,6.5887808142979205,10.015665265314396,12.671697642370962,10.17480877002088,9.537453638593172,5.388226007751699,19.834721234744052,16.564363271458024,16.523706937977614,19.103557581858354,13.947149551842077,9.505207406415538,5.0,4.0,4.0,5,0,5,2.01,0.8130999999999999,0.25,3.3019272488946267,0.0,0.0,2.381101577952299,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.08499999999999999,0.064,0.12700000000000003,0.04000000000000001,2.2689999999999997,3.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,0.0,0.0,0.0,0.0,0.0,2.772588722239781,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.5,4.0,1.0,0,2.0,4.0,1.0,0.5,0.22222222222222232,0.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.125,0.07407407407407411,0.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2615740740740741,8.288215751900175,13.524283729399965,16.576431503800354,3.3152863007600706,8.288774052044314,2.220446049250313E-16,4.4408920985006264E-17,-18.021826694558577,2000004.2294850536,400000.8458970107,7.254329926632255,0.0,95.03638183013345,3.321928094887362,2.70805020110221,3.2188758248682006,3.7612001156935624,4.290459441148391,4.844187086458591,5.37989735354046,5.937536205082426,6.47543271670409,7.034387929915503,52.65002687451343,2.1972245773362196,0.0,3.044522437723423,0.0,4.04305126783455,0.0,5.10594547390058,0.0,6.192362489474872,6.60934924316738,72.093900384,4.2408176696470585,8.849873734152917,1.7699747468305833,0.0,0.0,0.0,20.0,2.0,3.1849999999999996,14.0,1.2154999999999998,2.09269705167531,2.82312170500243,3.533912900945204,4.841113571868578,5.7118575299807866,0.0,0.0,0.0,0.0,65.03495577875,52.131744525541244,45.5410935862442,47.32919517340829,24.714077201463517,5.803612809342397,0.0,0.0,0.0,0.0,257.03045085634767,271.1018314778084,263.1097110894442,312.9939118520076,299.78310276312806,177.54591968780733,0.0,0.0,0.0,0.0,8.812494779,14.781667047091872,19.580102442428174,24.518292349991537,33.2372800079904,38.374909188304834,0.0,0.0,0.0,0.0,1.9914047877725003,2.3807226882333756,2.488409701443862,3.0494492867640974,3.3463265006495417,2.5395655684883907,0.0,0.0,0.0,0.0,176.09599778461077,331.2996999546618,474.77894927871534,593.040836737029,838.45963519743,1056.2232831410734,0.0,0.0,0.0,0.0,2.4602812499999995,3.3205148085826077,3.949024733623451,5.174637486285243,6.625907832630833,5.7118575299807866,0.0,0.0,0.0,0.0,0.41451187500000014,0.5071150793843204,0.5380505156240858,0.6618700196778996,0.7413177200402287,0.5848942110700325,0.0,0.0,0.0,0.0,342.5156733493623,101.0040335147017,8.289209606551012,159.57045750485767,-47.05553962004389,-9.585666139983209,182.94521584450465,148.0595731347456,17.874875746534222,0.682185091961465,0.20116873840522007,0.016509537103620513,0.3178149080385347,-0.09372005464478043,-0.019091676807871022,171.97236918890925,50.712724388066555,4.16189717919283,80.11811360725174,-23.625933823085294,-4.812830023884477,0.0894748773412591,0.22098477972685635,1.9516564096329827,14.677710042243456,502.08613085422013,0.0,1.0,0.0,248.32627658459975,15.758371634931057,6.285515363355493,364.57070956605156,19.093734824964223,7.1437666152651085,343.5942835438261,18.53629638152741,7.00404041261395,1.9105240899334037,1.9105240899334037,262.2128482838347,247.82685464082329,31.115389897690534,1.0580485664633121,8.427111122374104,7.964767771051381,3.319965475203801,3.2201944036352645,6.424246450394837,0.9949871483356816,3.3468066412300677,3.794149358803651,1.8174170092858726,10.981661364839864,5.542274001777526,0.14348317319278248,1.9786394020934526,8.390983759352329,1.6223946076559668,4.2923769177642,0.16254680401923777,1.1267105496169145,8.026179104848394E-15,1.1027773721920957E-50,2.922420801982873E-108,1.4937350086590368E-187,1.4725846652083677E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2808742897692142,3.793901470043701,0.11889553530282714,3.0822537511333334,0.041760179504701136,0.0011637567083252719,0.2778514649920336,0.33343516766480535,0.9406248582164694,0.06730141815786089,0.0011458987955155222,0.007935514526761375,5.652903569827095E-17,7.766951201255298E-53,2.058284866093577E-110,1.0520497801654618E-189,1.037153420336769E-290,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9066964460606843,3.7939185069344212,0.4059675174006508,3.7340043204269917,0.4137738671671139,0.010874038351604618,0.6249921594250204,1.3206749854670705,0.9875870298057943,0.4102758113074897,0.011932760598071244,0.08269417968271339,5.890761360915981E-16,8.093761986793297E-52,2.1448915250668306E-109,1.0963169843968191E-188,1.0807938289399416E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.159112459602748,3.7941223099342256,1.6923387520868496,10.15820607743712,4.939943016841801,0.12792857771112834,1.8745090498571328,7.665112602093842,1.5480392912373222,3.8499553497888117,0.14482701159489214,1.0038788149274471,7.15118108276359E-15,9.825547847239097E-51,2.6038243206397363E-108,1.330891000193545E-187,1.3120464249601051E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3363037369646822,3.7939401676238296,0.6207395458255468,4.466658491257878,0.8920653260214055,0.02328233180201361,0.8633011970382809,2.1936028891566757,1.0472016428118793,0.7999535042736129,0.02591692155545434,0.17962280841521377,1.2795520838484675E-15,1.7580732577434633E-51,4.658991007066404E-109,2.3813469872513914E-188,2.3476286192921382E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.041753713735528,3.79426298982956,2.3044784092873476,14.416430266231627,8.0739959659379,0.20884330584050226,2.3641978242756543,11.342650735446886,1.9347340080665403,6.139116741957655,0.23705575255036812,1.6432014465866507,1.1705427911484995E-14,1.6082971565902106E-50,4.26207608598847E-108,2.1784721265636447E-187,2.147626338383388E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0266130180474877,3.4461033685911047,0.9126955005132464,5.761058270107625,1.9242293252869733,0.04994504799896711,1.2171396195757567,3.5210307791956557,1.5357570275603316,1.6520952053011189,0.056249377348411254,0.38986524208197737,2.77722460375377E-15,3.8158386581041377E-51,1.011218270582309E-108,5.168633247955145E-188,5.095448668541065E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.055730039809965,0.7315315223762313,0.48822072352941176,0.7687884860862183,0.13866628352766816,0.5656152153842764,0.5150617655833757,0.5882134550497387,5.275482285715608,5.304134673984283,12.02811627583688,0.6531827291293274,1.6688904360173906,3.3213900119661504,0.31630764337648853,0.11595335225291409,0.8848425187225136,0.08426666270690499,0.37933486017413076,0.09629696401244162,0.03317944766338934,3.753651007595553,1.4723842850387647,5.347853686895954,0.8272637780837704,0.5088112718499617,3.630227242089277,0.49093600055292197,0.2725157340528406,0.8262386171918193,0.1117368845464008,0.45315901878999076,0.2319759611082625,0.18326760244565063,4.393678976695039,2.9052910695497975,7.784650106426552,0.739357925787729,0.8684025823439039,4.039189804767068,0.7221790421985619,0.4798357934067896,0.7706605793739928,0.13778875120343456,0.5610111950376935,0.5019760352817939,0.5681824520869013,5.241204640372419,5.201693422851001,11.84258781734159,0.6559908690609891,1.6311696824063886,3.760295700377003,0.5644816711386904,0.3384528220731278,0.8063714516059693,0.12104949738804668,0.48621348641481105,0.3066852660601993,0.2826824286466749,4.663230193588821,3.586351107151933,8.967987353336852,0.709557177408954,1.0755811811216853,4.107027869185883,0.7605372729687447,0.514225717632805,0.7631340526205621,0.14131676476903898,0.5800137703898262,0.5567166734582744,0.6525444802547598,5.381790859787433,5.626574953986156,12.614574410261014,0.6447010789308433,1.7892749241028603,4.054481876469969,0.7225809531741931,0.48055118792639123,0.771163851686372,0.13743514658158273,0.5652671293254521,0.502534915575187,0.5698779388661401,5.257614017570553,5.225314596511671,11.890795286483378,0.6567457775295581,1.6376799837667793 +UMLCN0287,L,n-pentadecane,CCCCCCCCCCCCCCC,Alkanes,,C15H32,NREL (2014),Unknown,PubChem,,96,0,-3.6414000000000026,13.25979396000002,49.6482,47.73737599999996,0,0,47,15,32,0,15,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2196.4758629999965,2407.1245100000006,2596.9498930000013,2445.916043999997,2249.1593149999962,2052.4025859999942,1855.6458569999945,1658.889127999995,1462.1323989999955,7347.433348029707,9600.808348347215,12751.034616419063,13143.004770855823,12136.206425900693,11129.40808094556,10122.609735990429,9115.811391035284,8109.013046080135,328.098588,333.33144800000014,638.5001800000014,877.9461600000027,815.0612600000021,752.1763600000015,689.291460000001,626.4065600000006,563.52166,56.061112955168056,74.67801791999997,109.28891517213081,120.27496703093962,111.25343817154366,102.2319093121477,93.21038045275176,84.18885159335582,75.16732273395995,7819.28020612597,6675.042512072803,14042.869784978924,20885.208971031494,19406.253815992917,17927.298660954337,16448.343505915756,14969.38835087716,13490.433195838563,69.25,84.0,138.75,171.5,159.25,147.0,134.75,122.5,110.25,46.733528999999926,52.32879369565219,28.854998811111127,19.41203209523807,19.223583888888857,19.003727648148097,18.74389754545449,18.432101422222168,18.051017271604884,156.32836910701505,208.7132249640699,141.67816240465626,104.30956167345892,103.72826005043328,103.05007482357001,102.24858319182252,101.28679323372538,100.11127217382882,6.980821021276596,7.24633582608696,7.0944464444444595,6.967826666666688,6.966335555555574,6.9645959259259405,6.96254000000001,6.960072888888895,6.957057530864198,1.1927896373440012,1.6234351721739124,1.2143212796903424,0.9545632304042827,0.9508840869362706,0.9465917528902565,0.9415189944722401,0.9354316843706202,0.9279916386908635,166.36766396012703,145.10961982766963,156.03188649976582,165.7556267542182,165.8654172307087,165.99350611994757,166.14488389813894,166.32653723196844,166.54855797331558,1.4734042553191489,1.826086956521739,1.5416666666666667,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,0.06661627534412702,-0.004413884623719816,-0.03157983573719214,-9.914503779512047E-5,-2.8176920587633884E-6,-2.4474546675120126E-8,3.7368112076885396E-15,8.51510051705362E-13,7.699298165166069E-11,1236.4188153191476,-56.12113771661607,-561.9238525473086,-7.234365408782963,-7.453588602988447,-7.67281179719393,-7.892034991399299,-8.111258185604783,-8.330481379810038,2299.17358406015,-104.35965204244671,-1044.9213988195315,-13.452611396095154,-13.860266286886418,-14.26792117767791,-14.675576068469173,-15.083230959260323,-15.490885850051018,0.24220595744680856,-0.010993745586233509,-0.11007702489813988,-0.001417162516976436,-0.0014601068356727446,-0.0015030511543690536,-0.0015459954730653066,-0.0015889397917615597,-0.0016318841104578266,10.278375675053603,-0.4665362008534679,-4.671284831397339,-0.06013943214126426,-0.06196183917584962,-0.06378424621043409,-0.06560665324502034,-0.0674290602796057,-0.06925146731419195,55.83229979692582,-2.534232047521005,-25.37449334299204,-0.3266783498755368,-0.3365776938111449,-0.3464770377467634,-0.3563763816823855,-0.3662757256180076,-0.3761750695536261,3.7127659574468144,-0.6444092349479419,-1.4446582163875077,0.025350837483022255,0.023540063377092142,0.02172928927116203,0.019918515165232138,0.018107741059302025,0.016296966953371912,0.001417367560513341,-9.595401355912643E-5,-3.5088706374657933E-4,-7.868653793263529E-7,-2.408283810908879E-8,-2.2661617291777894E-10,3.7745567754429693E-17,9.461222796726244E-15,9.505306376748232E-13,26.306783304662716,-1.2200247329699145,-6.243598361636762,-0.05741559848240447,-0.06370588549562775,-0.07104455367772157,-0.07971752516564949,-0.09012509095116425,-0.10284544913345726,48.91858689489681,-2.2686880878792763,-11.610237764661461,-0.1067667571118663,-0.11846381441783263,-0.13211038127479546,-0.14823814210574923,-0.16759145510289247,-0.19124550432161752,0.005153318243549118,-2.3899446926594584E-4,-0.0012230780544237765,-1.1247321563305049E-5,-1.2479545604040553E-5,-1.3917140318231978E-5,-1.5616115889548552E-5,-1.765488657512844E-5,-2.014671741305959E-5,0.21868884415007667,-0.010142091322901477,-0.05190316479330377,-4.7729708048622425E-4,-5.295883690243557E-4,-5.905948723188342E-4,-6.626934671214175E-4,-7.492117808845077E-4,-8.549563865949623E-4,1.1879212722750174,-0.05509200103306533,-0.2819388149221338,-0.0025926853164725144,-0.002876732425736281,-0.003208120719877439,-0.003599761431135207,-0.004069730284644529,-0.004644136661155878,0.07899502037120881,-0.01400889641191178,-0.016051757959861197,2.01197122881129E-4,2.0119712288112942E-4,2.011971228811299E-4,2.011971228811327E-4,2.0119712288113362E-4,2.0119712288113473E-4,-0.0676987510031441,-0.24756250497188984,-5.551597209134423E-4,-1.6991244035785954E-5,-1.5988525434835217E-7,2.6630754651079383E-14,6.675207659825082E-12,6.706310093131812E-10,-0.04637681159420478,-0.23733796296296408,-0.0021825396825398986,-0.002421652421652642,-0.0027006172839508418,-0.0030303030303032163,-0.003425925925926114,-0.003909465020576215,-0.046376811594202975,-0.23733796296296206,-0.002182539682539444,-0.0024216524216522446,-0.0027006172839505556,-0.003030303030303057,-0.003425925925926033,-0.003909465020576223,-0.04637681159418345,-0.23733796296295415,-0.0021825396825403427,-0.002421652421653242,-0.002700617283951625,-0.00303030303030415,-0.00342592592592718,-0.003909465020577584,-0.04637681159420002,-0.23733796296296159,-0.0021825396825394345,-0.002421652421652209,-0.0027006172839504085,-0.003030303030302907,-0.003425925925925861,-0.003909465020576188,-0.046376811594220614,-0.23733796296297127,-0.002182539682539061,-0.00242165242165163,-0.0027006172839497077,-0.003030303030302012,-0.0034259259259247776,-0.0039094650205747875,-0.17733898093932995,-0.20319961795606492,0.002546959567016695,0.0025469595670167,0.0025469595670167063,0.002546959567016742,0.0025469595670167535,0.0025469595670167674,1.5885040953849514,1.433697563900246,0.9491637484485793,0.9475904278356049,0.9463348724615055,0.9448706751738257,0.943113833499561,0.9409665819224728,1.5666666666666695,1.4513425925925956,0.9651785714285733,0.9624287749287769,0.9592206790123474,0.9554292929292947,0.9508796296296315,0.945318930041154,1.566666666666663,1.4513425925925891,0.9651785714285692,0.9624287749287728,0.9592206790123435,0.9554292929292909,0.9508796296296275,0.9453189300411501,1.566666666666664,1.4513425925925918,0.9651785714285707,0.9624287749287738,0.9592206790123442,0.9554292929292912,0.950879629629628,0.9453189300411505,1.566666666666669,1.4513425925925925,0.9651785714285716,0.9624287749287752,0.9592206790123462,0.9554292929292937,0.9508796296296305,0.9453189300411535,1.5666666666666687,1.4513425925925936,0.9651785714285721,0.9624287749287757,0.9592206790123464,0.9554292929292938,0.9508796296296307,0.9453189300411534,1.7507163323782209,1.2389684813753563,0.8358120707690896,0.8471579359831496,0.8603947787328863,0.8760383201643933,0.8948105698822019,0.917754430648412,155.53745797650708,77.76872898825354,123.53029447214068,155.53745797650708,10.369163865100472,77.76872898825354,0.0,1.1102230246251565E-16,7.401486830834377E-18,-55.10520085451565,2000056.8187539596,133337.12125026397,21.76302922124649,155.53745797650708,77.76872898825354,123.53029447214068,155.53745797650708,10.369163865100472,77.76872898825354,0.0,1.1102230246251565E-16,7.401486830834377E-18,-55.10520085451565,2000056.8187539596,133337.12125026397,21.76302922124649,155.53745797650708,77.76872898825354,123.53029447214068,155.53745797650708,10.369163865100472,77.76872898825354,0.0,1.1102230246251565E-16,7.401486830834377E-18,-55.10520085451565,2000056.8187539596,133337.12125026397,21.76302922124649,155.53745797650708,77.76872898825354,123.53029447214068,155.53745797650708,10.369163865100472,77.76872898825354,0.0,1.1102230246251565E-16,7.401486830834377E-18,-55.10520085451565,2000056.8187539596,133337.12125026397,21.76302922124649,155.53745797650708,77.76872898825354,123.53029447214068,155.53745797650708,10.369163865100472,77.76872898825354,0.0,1.1102230246251565E-16,7.401486830834377E-18,-55.10520085451565,2000056.8187539596,133337.12125026397,21.76302922124649,155.53745797650708,77.76872898825354,123.53029447214068,155.53745797650708,10.369163865100472,77.76872898825354,0.0,1.1102230246251565E-16,7.401486830834377E-18,-55.10520085451565,2000056.8187539596,133337.12125026397,21.76302922124649,167.2754005088616,83.56547803220862,133.31951543547916,167.15021532367643,11.143347688245099,83.56547803220862,-0.14444444444436044,8.326672684688674E-16,5.551115123125783E-17,-52.082846323702256,2000056.5936148772,133337.10624099182,21.763029052396966,0,11.889999999999993,12.110264591747008,-0.1705051985951469,0.049983918992999546,5.117206021826002,7.603041152854793,14.0,46.0,46.0,46.0,14.0,0.0,0.0,0.0,0.0,0.0,34.982623999999994,3.5432803868530867,3.4549521100943648,3.3123511370321626,3.1223093297134463,2.8941988806485495,2.6396802390062866,2.3722458101894275,2.1063977258957434,1.9516956780938148,1.89016647944939,1.7911436303781179,1.6603311530367584,1.5061430465531724,1.3393621194066507,1.1719551742277037,1.0150869874527235,3.5713453478197072,3.484832064165327,3.34527517112972,3.159541722772468,2.937061544740784,2.689569156384921,2.430612561220346,2.1746455946956753,1.8928174019925856,1.8275257593776422,1.722619600553097,1.584194131169767,1.420988599503454,1.2440604962042947,1.0657389445917007,0.8977721802559141,3.6937459312365535,3.615317956096422,3.489203177534116,3.322257729047465,3.123943614772498,2.906031922609897,2.6819223489533317,2.465340742459404,1.7179944235260298,1.6411825645173679,1.5177248385218636,1.35443597599573,1.1607371514461748,0.9483524614347572,0.7305877164888389,0.5209529576566337,3.5919652678960965,3.506797940897113,3.3694932925305956,3.1869368223708405,2.9685901951918683,2.7262275201953634,2.473415689862092,2.2245411383859124,1.855189985184791,1.787454898517555,1.678677780136378,1.5351684510285795,1.3658579112866613,1.1819763849932754,0.9960850739299446,0.8203163346787551,3.7527990642867417,3.678305289362435,3.5586377699121914,3.4005266307416835,3.2133078632834544,3.0086121365747056,2.7995842070919306,2.599401651540386,1.662882549600528,1.5824001174542435,1.4528917180621692,1.2812460065042126,1.076954059489741,0.8518223869831254,0.6193434528194374,0.39349151502263263,3.6057936126691446,3.540319366137428,3.4259500719511307,3.2629459397749914,3.058186651128919,2.82406864781004,2.5765592202148886,2.3328592673940576,1.8189430566357632,1.7365212123928895,1.6069130537290166,1.4408980777775375,1.2516761367268945,1.0529235266674815,0.856914220308218,0.6735040402153661,0,0,0,0,0,2,13,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.192388155425121,7.414213562373096,4.889087296526013,3.207106781186548,2.0909902576697323,1.353553390593274,0.8687184335382292,0.5517766952966369,0.7461592103616748,0.5295866830266497,0.3760836381943087,0.26725889843221234,0.1900900234245211,0.1353553390593274,0.09652427039313657,0.06897208691207961,11.192388155425121,7.414213562373096,4.889087296526013,3.207106781186548,2.0909902576697323,1.353553390593274,0.8687184335382292,0.5517766952966369,0.7461592103616748,0.5295866830266497,0.3760836381943087,0.26725889843221234,0.1900900234245211,0.1353553390593274,0.09652427039313657,0.06897208691207961,23.669244860573947,45.205389657683945,42.607843137254875,43.16000000000002,27.776871856287467,361.7093868263473,0.5036009544802967,0.9618168012273179,0.9065498539841462,0.9182978723404259,0.5909972735380312,7.695944400560581,6.097500000000006,71.36900000000007,77.76872898825354,123.53029447214068,155.53745797650708,10.369163865100472,77.76872898825354,1.1102230246251565E-16,7.401486830834377E-18,-55.10520085451565,2000056.8187539596,133337.12125026397,21.76302922124649,294,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,13.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0000000000000004,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.575995839000543,0.0,18.92400416099946,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2879979195002713,0.0,1.3724489795918366,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2879979195002713,0.0,1.484375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.5,1.5666666666666667,0.2,2.2879979195002713,0.2,1.3724489795918366,11.098200208049972,0.12755102040816327,0.2879979195002713,1.1519916780010853,0.12755102040816327,0.2879979195002713,1.1519916780010853,7.5,0.5,0.0,0.0,0.42766,0.7,0.42766,0.42766,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.13333,0.0,0.0,7.0,0.46667,7.0,0.46667,0.0,0.0,-7.0,-0.46667,0.0,0.0,18.73969,1.24931,18.73969,0.0,0.0,7.41421,0.49428,7.41421,0.0,0.0,-2.1E-4,-1.0E-5,-2.1E-4,-1.0E-5,0.0,14.0,0,0,0,0,0,0,1.0,0.9034535552068336,1.0842544615535057,1.7295897988902842,2.147214476628099,2.2899252254315647,2.3159595263148773,42.46231709472118,50.95995969301477,81.29072054784336,100.91908040152066,107.62648559528354,108.85009773679923,0.16264994211659176,0.19519976914691556,0.31138034606610004,0.3865658708438126,0.4122582762790705,0.41694526600567283,4.651135296470804,4.4703343901241315,3.824999052787353,3.4073743750495384,3.264663626246073,3.2386293253627603,0.16356357770480456,0.19629624328999093,0.3131294285553646,0.388737284692446,0.4145740092442495,0.41928732668151725,6.69088082898904,8.860491705149103,11.394039512739495,12.639210244416832,13.102995495354236,13.024367928730866,59.41046020874917,54.41098591413237,51.57480380793514,49.00709286103159,48.663974134835485,49.297031639168345,15.0,14.0,14.0,15,0,15,3.11,2.222100000000003,0.07142857142857142,4.587405910354257,0.0,0.0,21.215216789392638,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.08499999999999999,0.064,0.12700000000000003,0.04000000000000001,7.259,13.0,12.0,11.0,10.0,9.0,8.0,7.0,6.0,5.0,110.0,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,4.709530201312334,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,0.8571428571428571,14.0,1.0,2,7.0,14.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.03571428571428571,0.017094017094017103,0.010416666666666666,0.0072727272727272745,0.005555555555555555,0.0045351473922902496,0.00390625,0.003527336860670193,0.003333333333333334,0.003305785123966942,0.10718014122760419,77.76872898825354,123.53029447214068,155.53745797650708,10.369163865100472,77.76872898825354,1.1102230246251565E-16,7.401486830834377E-18,-55.10520085451565,2000056.8187539596,133337.12125026397,21.76302922124649,0.0,267.99622808880036,4.906890595608519,4.007333185232471,4.653960350157523,5.313205979041787,5.973809611869261,6.639875833826536,7.305860032684009,7.9748769005588755,8.643473357326567,9.314069557738659,88.8264648084357,3.367295829986474,0.0,4.394449154672439,0.0,5.54907608489522,0.0,6.762729506931879,0.0,8.009363076630045,8.355144739461839,212.25040102399998,4.515965979234042,28.828448068700688,1.9218965379133792,0.0,0.0,0.0,560.0,12.0,8.875,54.0,1.237782608695652,2.1381900278951314,2.86215222625188,3.604397957162662,4.941514032269709,5.959954610086556,7.280829222950905,8.388243885584624,9.692094572708168,10.837863435006158,76.24360074282603,69.09904865544154,68.26833945256877,90.31644051612717,112.54647203893313,133.77709188254917,154.32298681989644,173.21855228192257,190.36976584409578,204.50582571622178,285.1453632119914,324.0935180303781,330.8007960906076,443.87691267770265,564.5770273016411,681.9254736262368,799.4389202627293,911.4534683651468,1019.2031893911327,1117.289569905045,9.006097031826092,15.217303919256528,19.999761933641825,25.30818284131844,34.54963833702598,41.69914596227553,50.83379758606442,58.55799149855384,67.55899960988667,75.50089965957167,2.1548895640208685,2.725646879189263,2.916620444558842,3.8848923107755833,5.0218933544182445,6.083057377306831,7.202810120949296,8.250527052988286,9.30760292215972,10.275774775292511,177.32873738899187,330.1707791276076,470.5749961972904,582.9621103555555,810.4977647130436,975.0721816096149,1199.314392517339,1382.0713258595272,1604.526720491029,1797.3348882366188,2.326565217391304,3.3740538627397383,3.996569289374762,5.209841705174713,6.942539428380267,8.429109573839797,10.167856049302511,11.739280045960864,13.470248511333912,15.076949622641353,0.4465535869565215,0.5761188895013071,0.623196344413112,0.8282228874396339,1.0742196907266828,1.3015041905067422,1.5440934848202883,1.769913304030832,1.9999457698832854,2.21050032420706,673.7712241297896,554.4215542626044,17.00699640287067,188.50321684748064,-155.11236266146776,-11.11378796882562,485.268007282309,709.5339169240722,28.12078437169629,0.7813883748730415,0.6429757486888319,0.01972341472118269,0.2186116251269584,-0.17988746423432087,-0.012888921949524165,580.9757056330855,478.0635357675366,14.664698315987755,162.54150592957856,-133.74942580258076,-9.583135307959024,0.03208154239961787,0.07919405400125414,0.48757037807283327,5.260033578497683,862.2744409772704,0.0,1.0,0.0,869.1419680460992,29.481213815684374,9.54326331746017,1179.1271226633037,34.33842050332694,10.564611792567593,1456.573952550012,38.16508813758999,11.335591314699633,4.1653962843257215,4.1653962843257215,6322.990582373656,6277.999687404427,95.01262207899345,1.0071664379116638,66.5489536444613,66.07542819084502,6.788645960621639,9.364340826787707,18.68330496712931,0.9951543106679437,8.924817709951261,13.279322435903302,4.780742073887918,60.71043900597649,25.29077048860437,0.14363957886634637,9.921750952428969,9.721510480048298,43.407972355924144,1.4254443865480428,2.192365033099493,43.954793386376444,5.223610415635464,46.78198692893101,2.7069569989565543,0.7629449190559952,19.47145193146535,4.699841659865249,39.54324123156181,4.287086719262624,1.7651900722322336,10.694228262410366,5.278308571550226,26.676902560910904,5.795343463723463,2.7026083660443505,4.175707401785724,4.252101056624537,11.537467723941722,7.251381241058951,0.7489981060556409,13.278653493609944,0.3400648563818925,13.216179743388738,0.1824236208470257,0.0013188824571253618,1.5034420010302458,0.3428097310092906,11.717057481330178,0.047109651274459985,0.021525180578976028,2.8401729779804303,0.15512377430054206,10.043981257490449,0.11438737692194681,0.07265798199064827,0.7025115378940768,0.08700866915587055,7.4150656626665645,0.18627978516325552,0.17722902805754182,0.16743576673057312,0.07090234590305894,4.650354121161588,0.25181388475335126,0.22779272258848912,0.04289135127716042,0.06239335922050763,2.2457863027128786,0.30676767119956294,2.417857189499565,13.278699453585702,1.138064085129392,16.546053861333572,1.867243544266512,0.011029249627399755,3.221622955900208,1.4183372492629587,15.797265538298747,0.19985988620769926,0.16994193682713193,9.602274256014384,0.687404983903535,15.82565064575319,0.44357612920755274,0.20236598046587356,2.8578971427084725,0.4834400451397231,12.549421799455722,0.7156617022043428,0.494306539301395,1.0161714467246665,0.47404857587776855,8.089031860212977,0.9674370251077318,0.6448078056096376,0.3399026070071887,0.3954387430834308,3.748211750822318,1.189141804829085,8.42429989227841,13.279249437618892,4.470525343491076,55.55124854076234,22.53658106164208,0.1280848428601241,9.40632606911731,8.850590402772644,40.62287560976666,1.2955702676285492,1.955213404411039,40.86105051894007,4.735622436157347,43.925374261589575,2.477484839291734,0.7167258813299211,17.729604146264922,4.224592669662993,37.07272318024538,3.9271911931193872,1.665478926691602,9.589886123735452,4.726100784317132,24.954376281551273,5.308830500657019,2.5199182421260127,3.729335836112984,3.810886082712583,10.829181037887576,6.63691171574883,3.5634766319102273,13.278757900350879,1.7180629254661255,20.721724204029314,4.0453244880589345,0.0234376539681561,4.401152389012029,2.405729630918235,19.30742028057074,0.34290132514851246,0.35932730538601815,14.728305489271634,1.2019440909199368,20.304499458473845,0.7289409907489284,0.29473026908550815,4.835068217615141,0.9174429421181789,16.496719193516324,1.1704224139828014,0.714066330690923,1.9848008994291901,0.9467030329624176,10.763543358855516,1.5821879341389637,0.9572484193466746,0.7060838076245908,0.7791050445614456,4.89662729192911,1.9537669028697575,10.778009903299154,13.279629101652038,5.972891772653913,82.369151283782,36.87019086675695,0.20900030240094591,11.830207743607819,13.283087322453312,54.67936792990174,1.957964192444181,3.188803776799861,56.06437029827132,7.2321739671032255,58.04855195691058,3.6369282715279048,0.9385696835046944,26.59384046570656,6.678446741415771,49.2623190625861,5.743205528621245,2.137211069709914,15.30529141322138,7.587909647980577,33.479378131591396,7.763750736493846,3.414434395983843,6.047970160237121,6.095461821501056,14.318277023609639,9.741449930408217,5.795172205850627,12.752519497438376,2.812727835311625,32.1042907205446,10.315878447784039,0.05895081086715522,6.473711435507264,4.687710256551338,26.990605545065165,0.6789868308435436,0.900976055307657,25.177144059545302,2.4417782093707805,29.586564398057128,1.3554585189548185,0.45576687513819136,9.609847117070736,2.0576694816123386,24.946568769963786,2.160248926374678,1.082945375191781,4.641540735172812,2.239877712319025,16.92420664070177,2.9202499914521907,1.5454631680219524,1.7467856628051142,1.8183807436722534,8.00962122105937,3.631915221932185,31.53372377003111,0.8077669769442797,0.5280143042553193,0.959361077110299,0.02457496623953682,0.5571993051854414,0.6642574276991472,0.6382863860446811,32.86950505123071,42.548670456858055,88.86770344561955,0.9390416156654485,1.8597431189292695,29.460058466357886,0.32987662316405775,0.11776239485926544,0.9850326485929887,0.011029823453855994,0.486325740897564,0.11078151776861274,0.0317495419105425,29.90769748438121,13.22631870394202,44.278452881103995,0.977548972889483,0.6288568005767192,30.300563818243205,0.5235768308374507,0.2840471491336096,0.9740382183234274,0.016830836763416547,0.5144716734452779,0.2790776585609521,0.1847162380273083,31.108187798214264,24.62018245240847,60.234685438356415,0.961057327485141,0.9782655700335383,31.48405825218711,0.7963212186287603,0.5181885269273524,0.9599217336059744,0.024279145927454907,0.5554455130025153,0.6455662337187728,0.6147517755851121,32.79856799774323,41.79874592139854,87.58903800040993,0.9398826004089618,1.8157635223064004,30.667927431928074,0.6082382884984074,0.3567260060783322,0.9694949072971343,0.019228033078897176,0.5270221909765677,0.3766272519276262,0.2913357285075102,31.632891726504816,29.810429375881075,68.0974767284568,0.9542423609457014,1.1949851714117041,31.688683844204377,0.8434785860150953,0.5586714533126615,0.9576272376736463,0.02548979542140997,0.5626890340372235,0.7242897733583319,0.7145574748198602,33.090833883532135,44.90351670588318,92.92692692400007,0.9364408565104696,2.0015362822154152,31.576144833632668,0.7985446830163436,0.5201532785906117,0.9599117110905363,0.024275680172330994,0.5586994696624047,0.6491763283097615,0.6194223705888232,32.894842795239626,42.05476346248945,88.06525170652039,0.9398675666358044,1.8272981685609895 +UMLCN0288,L,2-methylheptane,CCCCCC(C)C,Alkanes,,C8H18,NREL (2014),IQT,PubChem,,49.8,0,0.015799999999999592,2.496399999999871E-4,33.3531,26.082273999999977,0,0,26,8,18,0,8,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1172.4021199999981,1227.7764309999995,1362.056142999998,1135.165084999997,881.0067880000005,675.1054830000003,478.3487540000002,160.52601600000003,18.289152,3947.6426137513863,5029.877406914642,6581.332248221916,6597.33358780742,5368.371711093139,4081.8196662596565,3075.02132130453,1843.095562910177,559.5073997567447,181.25648000000004,180.9009880000001,339.41733999999997,440.1468679999998,435.3331359999998,311.9820600000001,249.09716000000023,186.1885440000001,120.93235199999997,30.314232287281975,39.56609758000001,56.48150844303706,61.1378534460741,52.10425229941311,39.08120729637604,30.05967843697998,20.03172529273499,8.003032287282004,4342.872585156482,3643.766351462201,7578.921304906439,10341.752259893277,10717.826598941016,7574.6125756841775,6095.657420645581,4611.235352918536,3328.517736436482,40.77777777777778,48.416666666666664,75.16666666666669,92.91666666666667,83.66666666666667,62.33333333333333,51.0,39.0,18.0,45.09238923076916,49.11105723999998,28.37616964583329,18.018493412698362,13.984234730158738,15.002344066666673,13.287465388888895,5.945408000000001,1.016064,151.83240822120717,201.19509627658567,137.11108850462327,104.71958075884794,85.21224938243078,90.70710369465904,85.41725892512584,68.26279862630285,31.08374443093026,6.971403076923078,7.236039520000004,7.071194583333333,6.986458222222219,6.9100497777777745,6.932934666666669,6.9193655555555615,6.895872000000003,6.718463999999998,1.1659320110493068,1.5826439032000004,1.176698092563272,0.9704421181916524,0.8270516238002081,0.8684712732528009,0.8349910676938883,0.7419157515827774,0.4446129048490002,167.033560967557,145.75065405848804,157.89419385221748,164.15479777608377,170.12423172922246,168.32472390409282,169.32381724015502,170.78649455253836,184.917652024249,1.5683760683760684,1.9366666666666665,1.5659722222222225,1.4748677248677249,1.3280423280423281,1.385185185185185,1.4166666666666667,1.4444444444444444,1.0,0.03666131941970946,-0.0055621392405364786,-0.008748151771327128,-0.01174031159343817,0.00490429040501114,3.1718186613825545E-4,0.00131371591770418,-0.008367403116421514,0.009552157823015012,670.519434461538,-58.02572028994014,-166.91349169822422,-237.11744957988168,88.82949772781035,-15.04370526035512,-15.760072177514894,-137.5424480946747,206.31367214201137,1246.859520586465,-107.9013046661365,-310.38276527419487,-440.9300227714957,165.182244180258,-27.974412320850302,-29.30652719327166,-255.76605550491578,383.64908325737366,0.13135015384615364,-0.011366840236684102,-0.03269720710059003,-0.046449680473372404,0.017401088757395197,-0.0029469585798821965,-0.0030872899408289764,-0.026943621301775793,0.04041543195266116,5.57404219300985,-0.48236903593353003,-1.3875553749693217,-1.9711623567160874,0.738441487108133,-0.12505863894573804,-0.13101381222886782,-1.1433932703609995,1.715089905541481,30.27828565910215,-2.6202362589608956,-7.537222818985997,-10.707385206370509,4.011225877915309,-0.6793205115823912,-0.7116691073720246,-6.210930391610656,9.31639558741613,3.017094017094014,-1.2407955292570694,0.2633136094674551,-1.1760355029585794,0.42011834319526736,-0.0552268244575936,0.8481262327416174,-1.3254437869822473,0.7573964497041431,0.0014100507469119023,-2.2248556962145915E-4,-1.822531619026485E-4,-1.8635415227679635E-4,7.784587944462126E-5,7.0484859141834545E-6,3.649210882511611E-5,-3.099038191267227E-4,5.306754346119452E-4,25.789209017751464,-2.3210288115976057,-3.4773644103796713,-3.763769040950503,1.409992027425561,-0.3343045613412249,-0.43777978270874707,-5.0941647442472116,11.461870674556188,47.95613540717173,-4.31605218664546,-6.46630760987906,-6.998889250341202,2.621940383813619,-0.6216536071300067,-0.8140701998131017,-9.472816870552437,21.31383795874298,0.005051928994082832,-4.546736094673641E-4,-6.811918145956256E-4,-7.372965154503556E-4,2.76207758053892E-4,-6.548796844182659E-5,-8.575805391191602E-5,-9.979119000657702E-4,0.002245301775147842,0.21438623819268654,-0.019294761437341202,-0.028907403645194202,-0.03128829137644583,0.01172129344616084,-0.0027790808654608455,-0.003639272561912995,-0.04234789890225924,0.09528277253008227,1.1645494484270058,-0.10480945035843582,-0.1570254753955416,-0.16995849533921442,0.06367025203040173,-0.01509601136849758,-0.019768586315889573,-0.23003445894854282,0.5175775326342295,0.116042077580539,-0.049631821170282774,0.005485700197238648,-0.018667230205691738,0.006668545130083609,-0.0012272627657243023,0.023559062020600482,-0.04909051062897212,0.04207758053911906,-0.15778550531512162,-0.12925290972810313,-0.13216130886418337,0.05520785660736574,0.004998746271806225,0.025879996805105113,-0.21978203252998596,0.37635201128339313,-0.08999999999999898,-0.13483796296296252,-0.1459435626102294,0.05467372134038785,-0.012962962962963048,-0.01697530864197543,-0.19753086419753121,0.44444444444444375,-0.0900000000000001,-0.134837962962963,-0.1459435626102293,0.05467372134038795,-0.012962962962963022,-0.016975308641975335,-0.1975308641975308,0.4444444444444442,-0.08999999999998202,-0.13483796296295622,-0.1459435626102283,0.05467372134038415,-0.012962962962965357,-0.016975308641978493,-0.1975308641975359,0.44444444444442793,-0.08999999999999726,-0.13483796296296194,-0.14594356261022906,0.054673721340387296,-0.012962962962963401,-0.016975308641975804,-0.19753086419753166,0.4444444444444415,-0.09000000000000455,-0.1348379629629647,-0.14594356261022903,0.05467372134038892,-0.012962962962962411,-0.016975308641974485,-0.19753086419752955,0.4444444444444484,-0.4277053824362616,0.04727337110481582,-0.16086604613516806,0.05746661270740612,-0.010576015108593007,0.20302171860245535,-0.42304060434372054,0.3626062322946184,1.6922197625292104,1.2358601557260536,1.141057761623505,0.7754919984472196,0.8929849974262563,0.8739792165480081,1.147505827775281,1.9419312274670557E-5,1.625000000000002,1.3165509259259276,1.1463844797178147,0.7881393298059975,0.9027777777777789,0.8777006172839517,1.0030864197530875,0.0,1.6249999999999982,1.316550925925924,1.1463844797178115,0.7881393298059955,0.9027777777777769,0.8777006172839499,1.0030864197530858,0.0,1.6250000000000002,1.3165509259259258,1.1463844797178129,0.7881393298059964,0.9027777777777778,0.8777006172839507,1.0030864197530867,0.0,1.6249999999999991,1.3165509259259254,1.1463844797178124,0.7881393298059961,0.9027777777777773,0.8777006172839502,1.0030864197530858,0.0,1.6249999999999991,1.316550925925925,1.146384479717812,0.7881393298059961,0.9027777777777772,0.87770061728395,1.0030864197530855,0.0,2.0347025495750732,0.8343661473087826,1.1508498583569418,0.690509915014165,0.8899905571293681,0.7864140698772435,1.8413597733711065,0.0,40.95843393470408,20.479216967352045,32.49588583122389,40.95843393470409,5.119804241838011,20.479216971305924,7.105427357601002E-15,0.07348346977903569,0.009185433722379462,-2.088555839218289,33.639794315006135,4.204974289375767,2.8125677766302264,40.95843393470408,20.479216967352045,32.49588583122389,40.95843393470409,5.119804241838011,20.479216971305924,7.105427357601002E-15,0.07348346977903569,0.009185433722379462,-2.088555839218289,33.639794315006135,4.204974289375767,2.8125677766302264,40.95843393470408,20.479216967352045,32.49588583122389,40.95843393470409,5.119804241838011,20.479216971305924,7.105427357601002E-15,0.07348346977903569,0.009185433722379462,-2.088555839218289,33.639794315006135,4.204974289375767,2.8125677766302264,40.95843393470408,20.479216967352045,32.49588583122389,40.95843393470409,5.119804241838011,20.479216971305924,7.105427357601002E-15,0.07348346977903569,0.009185433722379462,-2.088555839218289,33.639794315006135,4.204974289375767,2.8125677766302264,40.95843393470408,20.479216967352045,32.49588583122389,40.95843393470409,5.119804241838011,20.479216971305924,7.105427357601002E-15,0.07348346977903569,0.009185433722379462,-2.088555839218289,33.639794315006135,4.204974289375767,2.8125677766302264,40.95843393470408,20.479216967352045,32.49588583122389,40.95843393470409,5.119804241838011,20.479216971305924,7.105427357601002E-15,0.07348346977903569,0.009185433722379462,-2.088555839218289,33.639794315006135,4.204974289375767,2.8125677766302264,49.179710657759976,24.492633106657756,39.411694893504176,49.033877324426626,6.129234665553328,24.492633106721215,-0.19444444444446418,0.055492210129778174,0.006936526266222272,-2.3132101008822974,31.516941109597152,3.939617638699644,2.7604201714120724,0,11.889999999999999,12.110114161591722,-0.1647216853375386,0.05599046004134556,5.126994155576848,7.569956516006138,7.0,25.0,25.0,25.0,7.0,0.0,0.0,0.0,0.0,0.0,19.677725999999996,3.5127911181971387,3.238919283723906,2.754377524890701,2.3335527931030478,2.1610629697407,1.6026220419989972,1.2120982409260161,0.9674584648927586,1.9260228395960703,1.7494604949278967,1.4390168782161123,1.249629722584356,1.0668012359792234,0.7478546321037617,0.554062797117694,0.37864927279861715,3.540819883166093,3.2740337840341374,2.8035051811359253,2.405454587841289,2.2300040447336364,1.6957780098824933,1.3285174541164033,1.0931222512777041,1.865897481848745,1.6766628064168394,1.3460122577203557,1.1345406859483504,0.9508044918303078,0.6096970564091434,0.40039992937138624,0.2199092714990423,3.663808076203263,3.42774061299968,3.015830140146705,2.704236987233522,2.52145606799722,2.0782074497796175,1.7910126897039413,1.58473321303379,1.6883024047601851,1.4582063753509862,1.0572280201575162,0.760318560430897,0.5768927135693421,0.14884778956302058,0.12601423180707733,0.3281038093481037,3.561456170271329,3.2998799963339676,2.839550006799546,2.4575399160416964,2.280266140317582,1.7630650269567634,1.4116518675687237,1.1823311031848411,1.8275446736088354,1.6298992809231392,1.2854204103062774,1.0582626705327114,0.8741357706997085,0.5172337498223344,0.29660577195018917,0.11241993555939415,3.7235257767791365,3.5018943085872523,3.1161321144819274,2.8389820851496506,2.654960150009686,2.2472440521176456,1.9884457730363774,1.7917312384543749,1.6326899954896248,1.3889493798136474,0.9627584782453479,0.6313372621875627,0.4497010754245739,0.014206762062813232,0.3186169606251763,0.5308555535534294,3.5544853715843865,3.348832867122278,2.9223794636027165,2.6578395831246917,2.3643932045727056,1.8502201074798053,1.5183594634965607,1.2887851882902048,1.8218444053564262,1.5664160663769038,1.1775465270093874,0.8578395831246943,0.7557606557709853,0.39321295703632436,0.15748016560935796,0.024805111010724794,0,0,0,0,0,3,4,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.2886751345948129,0.20412414523193154,0.14433756729740646,0.2886751345948129,0.20412414523193154,0.14433756729740646,6.405777393935816,3.770055610029662,2.8896287658987125,1.385027805014831,0.8025858577612696,0.4330127018922194,0.2886751345948129,0.0,0.800722174241977,0.5385793728613802,0.4128041094141018,0.2770055610029662,0.2006464644403174,0.14433756729740646,0.14433756729740646,0.0,6.405777393935816,3.770055610029662,2.8896287658987125,1.385027805014831,0.8025858577612696,0.4330127018922194,0.2886751345948129,0.0,0.800722174241977,0.5385793728613802,0.4128041094141018,0.2770055610029662,0.2006464644403174,0.14433756729740646,0.14433756729740646,0.0,12.876450234072873,24.99053168244719,23.52941176470589,23.84,15.18699041916167,200.51160119760482,0.49524808592587977,0.9611742954787381,0.9049773755656112,0.916923076923077,0.5841150161216027,7.711984661446339,3.2227000000000023,38.98,20.479216967352045,32.49588583122389,40.95843393470409,5.119804241838011,20.479216971305924,0.07348346977903569,0.009185433722379462,-2.088555839218289,33.639794315006135,4.204974289375767,2.8125677766302264,65,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,4.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.825046296296296,0.0,5.604074074074074,0.0,0.0,0.0,0.9042129629629628,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.250324074074074,0.0,1.353888888888889,0.0,0.0,0.0,0.9042129629629628,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.287361111111111,0.0,1.4247685185185186,0.0,0.0,0.0,0.9042129629629628,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.333333333333334,1.6666666666666667,0.2,2.287361111111111,0.2,0.9042129629629628,6.033874212962962,0.42912037037037043,0.2873611111111111,1.6500925925925927,0.42912037037037043,0.2873611111111111,1.6500925925925927,4.0,0.5,0.0,0.0,0.42308,0.7,0.42308,0.42308,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.375,0.125,0.0,3.5,0.4375,3.5,0.4375,0.0,0.0,-3.5,-0.4375,0.0,0.0,8.40872,1.05109,8.40872,0.0,0.0,3.77005,0.47126,3.77005,0.0,0.0,0.14395,0.01799,0.14395,0.01799,0.0,7.0,0,0,0,0,0,0,1.0,0.8904916402194915,1.3229959670593578,2.5262349099495225,3.093730583109656,2.4304570255005586,2.0080009247969564,23.15278264570678,34.3978951435433,65.68210765868758,80.43699516085105,63.191882663014525,52.208024044720865,0.1894485821789581,0.2814621708588936,0.5374465074404966,0.6581789723139242,0.5170701405062895,0.427194272282056,3.809948077921601,3.377443751081735,2.17420480819157,1.6067091350314366,2.269982692640534,2.6924387933441363,0.19175693730143042,0.2848916747190522,0.5439950779509543,0.666198619570029,0.5233704331439388,0.4323994634498717,6.648700044059478,11.838751966137876,16.75276226337278,14.99529818980161,11.790178733533315,12.552136323766616,31.725216152945546,24.137207276979716,20.305074362997342,22.099395532171947,27.997584427449066,21.0960871402145,8.0,5.142857142857143,7.2,8,0,7,2.34,1.235800000000001,0.7211247851537042,4.146039495461224,1.7544106429277195,0.0,3.965406456500188,1.8072040072196898,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.103,0.084,0.08800000000000005,0.024999999999999994,3.538,7.0,5.0,4.0,3.0,2.0,0.0,0.0,0.0,0.0,36.0,2.0794415416798357,2.0794415416798357,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.0,0.0,0.0,0.0,3.6109179126442243,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.5714285714285714,7.0,1.0,0,3.0,6.0,1.0,1.5,0.44444444444444464,0.25,0.16000000000000003,0.1111111111111111,0.0,0.0,0.0,0.0,0.0,0.21428571428571427,0.06349206349206352,0.05,0.04000000000000001,0.037037037037037035,0.0,0.0,0.0,0.0,0.0,0.4048148148148148,20.479216967352045,32.49588583122389,40.95843393470409,5.119804241838011,20.479216971305924,0.07348346977903569,0.009185433722379462,-2.088555839218289,33.639794315006135,4.204974289375767,2.8125677766302264,0.0,146.92433570773346,4.0,3.367295829986474,3.970291913552122,4.653960350157523,5.2832037287379885,5.973809611869261,6.610696044717759,7.3031700512368,7.942717540573791,8.635687085464026,68.74083215629574,2.70805020110221,0.0,3.7612001156935624,0.0,4.948759890378168,0.0,6.19644412779452,0.0,7.475905969367397,7.807510042216193,114.14085057599999,4.3900327144615385,14.665959166031309,1.8332448957539136,0.0,0.0,0.0,79.0,5.0,4.8309999999999995,28.0,1.2277999999999998,2.117614429816031,2.8695237308160744,3.5227313564909557,4.659330024849221,5.700733815782469,6.739604561988631,7.64606720009838,0.0,0.0,71.22212779891997,68.08752345669306,60.48242811735667,62.56281570868574,83.66926383734254,88.14618724785448,43.01500052657246,7.768893623600762,0.0,0.0,272.54988247666296,313.6050110109872,324.1137849722618,344.3741487224424,468.6446156363739,530.0032673699951,482.27889425816176,237.66839874957657,0.0,0.0,8.919363222559998,15.02844115317633,20.095479130261058,24.46743974401934,32.434066679612236,39.5739121007499,46.58145233975503,51.36982722544177,0.0,0.0,2.0816483842615994,2.6349985923939347,2.924434097072796,3.2021295504328173,4.347684954445912,5.046203376513812,5.177858357136665,3.3995401485064005,0.0,0.0,176.77647004622912,330.4239685352607,467.70423646472716,589.9301236987644,774.4454148888641,955.577830909972,1142.5900178818372,1413.8927938618162,0.0,0.0,2.4356766666666663,3.4259107542062854,4.328745309462058,4.897592389999189,6.704884100043943,8.386110038064883,10.000541600525382,7.64606720009838,0.0,0.0,0.43219890000000016,0.557170834582683,0.6265520005816406,0.6904770816251624,0.93657765661408,1.0917623559308887,1.1388404436502926,0.7829572812900741,0.0,0.0,417.6863933675199,187.22407342877483,10.195224709033491,149.94717015828962,-67.21243603320043,-9.084440154096724,267.73922320923026,254.43650946197528,19.279664863130215,0.7358380832399952,0.32983263404272245,0.017960926492272027,0.26416191676000444,-0.11840814277386252,-0.016004057437459234,237.09281590344844,106.27466797819332,5.787151732535067,85.11504653756089,-38.152034578776096,-5.156633137306879,0.06556167610204498,0.1453814045716478,0.9804423888096108,9.46414168056899,567.6335635258097,0.0,1.0,0.0,434.57098402304956,20.84636620668095,7.574493114672902,608.9376334952268,24.67666171699946,8.475999811250391,697.4366738228209,26.409026370217077,8.868188725148443,1.99023832985812,1.8964598642644726,800.2727231413322,752.9108926298472,87.83305506877127,1.0629049612312746,9.11129326555631,8.572067680445992,4.54645199771743,4.466158665423347,8.836778876532481,0.9786083609044471,5.020209961846427,6.639711034771735,2.9001748031692713,24.54112877565857,9.321022414604437,3.228366089209502,5.252105494128359,11.527470777189773,9.750016298434046,3.5484274248350625,3.887846314801896,7.457765018277401,5.146040259116622,3.8002503119546533,2.755731928233448,0.26094510901120876,0.13932910995207265,1.5778104362607236E-19,3.446397419078224E-59,1.4519504420343953E-120,1.1798156019634413E-203,1.8490658661802625E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.42131143465514254,6.639327145803616,0.1845785642343068,7.345631962653385,0.5651958477122686,0.09046164598809023,0.5611766901000602,0.516345165294729,3.20601870392152,0.14623327509142886,0.034217053082960094,0.802523222349918,0.25353916296628737,0.9553178362245727,0.11473090052345448,0.0018379241149864725,9.81306313676862E-4,1.1112647912704614E-21,2.4273258818235872E-61,1.022620568239026E-122,8.309537752587714E-206,1.3023122084905E-310,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3600446690923487,6.639353506732949,0.6345956722019583,9.047470714645165,1.1612087577029626,0.41083906415753396,1.335524753695184,1.9238388328175433,4.192263274928221,0.571701186927278,0.3015860838430226,1.5935960269314402,0.9359635471882068,1.2682929197928055,0.447155927375874,0.01915206516902636,0.01022596837965762,1.1580235914695827E-20,2.529460716669373E-60,1.065649476565307E-121,8.659179006924674E-205,1.357109730046205E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.738668689405448,6.639669137842875,2.697032192420222,22.84877672908476,8.36357645681557,2.923012394760426,4.900130534489707,10.55617382532473,9.225747140857699,3.2449869199589187,3.4682403850213963,6.849607169478363,4.73464982591501,3.531369355173775,2.5209424216329444,0.23249743989642657,0.12413972854974938,1.405800692531117E-19,3.0706780530364185E-59,1.2936617036012088E-120,1.0511944604891376E-203,1.647484397030775E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0044556054483462,6.639387042262028,0.9744853501235797,10.752600518112166,1.9240561448421096,0.7258230569067207,1.9214775405163171,3.139485700515232,4.9730704179410425,0.9436409956213955,0.6392993068552206,2.3051166797796494,1.4983245154123446,1.5626369486608904,0.7367167961712758,0.041600681437029725,0.022212169782285754,2.515381983459243E-20,5.494326679911311E-60,2.3147330622456956E-121,1.880889389992962E-204,2.947823679656997E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.062630570604619,6.639887046974228,3.694212814068577,31.533428077919606,13.344505207273265,4.487544146217539,6.628885490979154,15.461198721897292,11.831544658141315,4.779978768183133,5.650023846869548,9.937412178452849,6.796259549833238,4.903338635238926,3.7080619291480397,0.38056370096107317,0.20319841249619847,2.301088236179779E-19,5.026246737875419E-59,2.1175332631208977E-120,1.7206501745377132E-203,2.6966887877054743E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1459982427594233,5.833261199631146,1.4315733166246083,14.39668314670613,3.734656360085974,1.4723617059108531,2.7976873573489898,5.267984437659188,6.514947327884311,1.6634980195622688,1.4197777173483848,4.2550298788831675,2.5504968481349928,2.6480359253469508,1.43842073795467,0.09394055005767238,0.050158479582746156,5.680117570538605E-20,1.2407030708681605E-59,5.227021591323823E-121,4.247336167068388E-204,6.65663711824895E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.3760938485201875,1.094015369961544,0.5837863995340236,0.8146873080625074,0.12083366278098395,0.5610193045273426,0.4652152233333398,0.432107025075873,9.053895618015755,13.014294604877273,26.779089624795112,0.7220309620937612,1.4583415529365553,6.419161132598467,0.5922269883080643,0.1778841760155393,0.892880512447232,0.08237648594303672,0.42474763335123455,0.13571327220286505,0.03998713009679893,7.189272296922071,5.048815463635571,12.914332326818544,0.8393207686708479,0.6004480356508985,6.813526747819101,0.7990630186854437,0.3452051820139558,0.8562078806877994,0.10041261729597656,0.47860617495383895,0.24756075326505567,0.1508365678105298,7.957794948518501,8.072342686950124,17.909585587665834,0.784311821031699,0.8770034960294244,7.353795179986498,1.0823263760789252,0.5743317958720275,0.8161404196610448,0.12011897002343404,0.557627678426406,0.4552853243893322,0.41820112058405523,9.01045335193745,12.804339331071231,26.38601803873763,0.7242106294915671,1.4311141233997935,6.983080047467182,0.887971447934033,0.41712385394506307,0.8425352689983767,0.10713714545193241,0.5027535885841274,0.30595946001400753,0.22035999783301316,8.288175349346279,9.483979035150497,20.358645842258653,0.7638029034975652,1.0290730464311482,7.445477346852452,1.1303852189585926,0.6132038484327214,0.8102539486831202,0.12301415268981054,0.5716385409207886,0.4968011636791608,0.47683174255554855,9.189066414243767,13.675009469958493,28.024957397727846,0.7153809230246804,1.545271447155498,7.379196445624237,1.0858718816508601,0.5752675267541301,0.8162524672504694,0.12011410850039304,0.561498350098082,0.4583415683214962,0.41936273278019864,9.040335854029228,12.882540849917596,26.53241596834188,0.7243787008757042,1.439202651199777 +UMLCN0289,L,3-methylpentane,CCC(C)CC,Alkanes,,C6H14,NREL (2014),Unknown,PubChem,,30,0,-0.3400000000000003,0.1156000000000002,26.1559,19.895101999999994,0,0,20,6,14,0,6,0,0,0,0,0.0,0.0,0.0,0.0,0.0,879.8096220000002,890.8198369999998,974.6390689999997,862.717636,432.9734650000004,103.124448,9.144576,0.0,0.0,2976.2738325290047,3723.8971379339105,4754.238024897251,4808.8643113364,3631.5648393812107,1620.9320311510182,279.75369987837234,0.0,0.0,139.30159199999997,137.349428,253.9583240000002,314.4007840000001,311.9346280000001,244.25971200000018,60.46617599999999,0.0,0.0,22.95798066788598,29.534120340000015,41.10612815333904,44.101220012131066,37.06835872667803,20.019653005469994,4.001516143641,0.0,0.0,3349.6132648794865,2777.687448430601,5730.516906974741,7389.308862504533,7563.67875030728,6466.264847004871,1664.258868218241,0.0,0.0,32.27777777777778,38.0,55.91666666666666,68.0,67.0,42.0,9.0,0.0,0.0,43.99048110000001,46.885254578947354,27.073307472222215,19.171503022222222,9.621632555555564,2.8645680000000002,1.016064,0.0,0.0,148.81369162645024,195.99458620704792,132.06216735825697,106.8636513630311,80.70144087513802,45.02588975419495,31.08374443093026,0.0,0.0,6.965079599999998,7.228917263157894,7.054397888888895,6.986684088888891,6.9318806222222245,6.784992000000005,6.718463999999999,0.0,0.0,1.147899033394299,1.5544273863157902,1.1418368931483067,0.9800271113806903,0.8237413050372895,0.5561014723741665,0.444612904849,0.0,0.0,167.48066324397433,146.19407623318952,159.1810251937428,164.20686361121184,168.08175000682846,179.6184679723575,184.917652024249,0.0,0.0,1.613888888888889,2.0,1.5532407407407405,1.511111111111111,1.488888888888889,1.1666666666666667,1.0,0.0,0.0,0.028302395166444325,-0.005876358298774439,-0.0055428937026633495,-0.0020116660728191817,-0.013336365613531988,0.007886446238256774,0.0047296398663100045,0.0,0.0,508.47723779999967,-59.322344409999474,-92.01016683999958,-115.01270854999984,-260.2919193500002,174.33505295999936,98.06346728999975,0.0,0.0,945.5351364447346,-110.31243258521903,-171.0968342138091,-213.87104276726146,-484.02393889432926,324.1834753524805,182.3532048857703,0.0,0.0,0.09960719999999997,-0.01162083999999791,-0.018024159999998603,-0.022530199999999494,-0.05098940000000038,0.03415103999999738,0.01920995999999909,0.0,0.0,4.226981996365799,-0.4931478995760045,-0.7648824564852373,-0.9561030706065513,-2.1638122124253534,1.4492509701825527,0.8152036707276876,0.0,0.0,22.961033291485773,-2.678787217339912,-4.154853643221177,-5.193567054026529,-11.753862280165368,7.872354271366433,4.428199277643645,0.0,0.0,2.67222222222222,-1.1969444444444437,-0.2933333333333326,0.779166666666667,-1.4375000000000004,0.38999999999999974,0.4224999999999996,0.0,0.0,0.0014151197583222163,-3.092820157249705E-4,-1.5396926951842638E-4,-4.4703690507092926E-5,-2.9636368030071085E-4,2.1906795106268817E-4,5.255155407011117E-4,0.0,0.0,25.423861889999984,-3.122228653157867,-2.5558379677777663,-2.5558379677777743,-5.78426487444445,4.842640359999982,10.895940809999972,0.0,0.0,47.27675682223673,-5.805917504485212,-4.752689839272475,-4.752689839272477,-10.756087530985095,9.005096537568903,20.261467209530036,0.0,0.0,0.004980359999999998,-6.116231578946269E-4,-5.006711111110723E-4,-5.006711111110999E-4,-0.0011330977777777862,9.486399999999272E-4,0.002134439999999899,0.0,0.0,0.21134909981828995,-0.025955152609263395,-0.021246734902367705,-0.021246734902367805,-0.04808471583167452,0.0402569713939598,0.09057818563640974,0.0,0.0,1.1480516645742886,-0.14098880091262694,-0.11541260120058824,-0.11541260120058953,-0.2611969395592304,0.21867650753795648,0.492022141960405,0.0,0.0,0.133611111111111,-0.06299707602339177,-0.008148148148148128,0.01731481481481482,-0.031944444444444456,0.010833333333333327,0.0469444444444444,0.0,0.0,-0.21855536530113828,-0.10880299608068103,-0.03159004052073598,-0.20942657224437553,0.15480523805449362,0.3713576448993755,0.0,0.0,-0.12280701754385864,-0.10052910052910015,-0.10052910052910045,-0.22751322751322786,0.19047619047618988,0.42857142857142777,0.0,0.0,-0.12280701754385964,-0.10052910052910052,-0.10052910052910055,-0.22751322751322792,0.19047619047619052,0.42857142857142877,0.0,0.0,-0.12280701754383762,-0.10052910052909278,-0.10052910052909832,-0.2275132275132293,0.19047619047617595,0.42857142857140845,0.0,0.0,-0.12280701754385831,-0.1005291005291002,-0.10052910052910069,-0.22751322751322794,0.19047619047618958,0.42857142857142744,0.0,0.0,-0.1228070175438553,-0.10052910052909912,-0.10052910052910025,-0.22751322751322814,0.19047619047618763,0.4285714285714247,0.0,0.0,-0.4714957872852611,-0.060984060984060895,0.12959112959112976,-0.2390852390852394,0.08108108108108111,0.35135135135135137,0.0,0.0,1.7610415522262084,1.1604030254730064,1.0210132861526506,1.1827651477441883,0.4332131129254449,0.0,0.0,0.0,1.6666666666666685,1.2566137566137583,1.1058201058201071,1.1058201058201071,0.37698412698412725,0.0,0.0,0.0,1.6666666666666674,1.256613756613757,1.105820105820106,1.105820105820106,0.37698412698412725,0.0,0.0,0.0,1.666666666666665,1.2566137566137554,1.1058201058201045,1.1058201058201045,0.37698412698412676,0.0,0.0,0.0,1.6666666666666674,1.2566137566137572,1.1058201058201063,1.1058201058201063,0.3769841269841271,0.0,0.0,0.0,1.666666666666667,1.2566137566137574,1.1058201058201065,1.1058201058201065,0.37698412698412703,0.0,0.0,0.0,2.079002079002081,0.9052321552321557,0.7636867636867645,1.382536382536384,0.592515592515593,0.0,0.0,0.0,21.484809458209455,10.742404729104726,15.978472706604519,21.484809458209455,3.580801576368242,10.742456782927917,-5.329070518200751E-15,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,3000004.2294850536,500000.7049141756,8.948474553875846,21.484809458209455,10.742404729104726,15.978472706604519,21.484809458209455,3.580801576368242,10.742456782927917,-5.329070518200751E-15,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,3000004.2294850536,500000.7049141756,8.948474553875846,21.484809458209455,10.742404729104726,15.978472706604519,21.484809458209455,3.580801576368242,10.742456782927917,-5.329070518200751E-15,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,3000004.2294850536,500000.7049141756,8.948474553875846,21.484809458209455,10.742404729104726,15.978472706604519,21.484809458209455,3.580801576368242,10.742456782927917,-5.329070518200751E-15,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,3000004.2294850536,500000.7049141756,8.948474553875846,21.484809458209455,10.742404729104726,15.978472706604519,21.484809458209455,3.580801576368242,10.742456782927917,-5.329070518200751E-15,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,3000004.2294850536,500000.7049141756,8.948474553875846,21.484809458209455,10.742404729104726,15.978472706604519,21.484809458209455,3.580801576368242,10.742456782927917,-5.329070518200751E-15,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,3000004.2294850536,500000.7049141756,8.948474553875846,27.13010823602891,13.47940596986631,20.522880973656985,27.015910705164714,4.50265178419412,13.479408976185898,-0.17129629629629228,1.1102230246251565E-16,1.850371707708594E-17,-22.042080341806265,3000004.078833091,500000.67980551516,8.948474523745494,0,11.890000000000002,12.110074714184961,-0.16915134561979733,0.05124700717567182,5.275584960687388,7.642003615501864,5.0,19.0,19.0,19.0,5.0,0.0,0.0,0.0,0.0,0.0,15.304897999999996,3.486065375214154,2.9025640775777095,2.6020984808380505,1.9074784091668462,1.598026914855201,0.940486378889422,0.08392307051869154,0.08392307051869138,1.9056784955599693,1.5630263350622522,1.3896757743286678,0.9416660991946494,0.7697185163332705,0.3634159929504106,0.08392307051869087,0.08392307051869098,3.514277282332211,2.9503089512514618,2.661111006863596,1.9904065163705034,1.6953097213902995,1.0668971763103876,0.27091390189293774,0.27091390189293735,1.8442730967394585,1.4734536838206147,1.2866300525695453,0.8147423363516475,0.6303371850352759,0.20339088864430052,0.2709139018929366,0.27091390189293696,3.63859816865669,3.15559840770286,2.9114550756038984,2.33237647583545,2.0901173443416927,1.562551549446809,0.9439184268026227,0.9439184268026224,1.6634479115987388,1.1954927464150675,0.9593896919696815,0.3959587790753951,0.1623861520242408,0.3494888203114495,0.9439184268026207,0.9439184268026213,3.535079058675276,2.9852679791261005,2.70414943858002,2.050359443271941,1.7652768165580879,1.1567349301390946,0.3992772455089825,0.3992772455089824,1.8051431030617526,1.4151331810518297,1.218928543061201,0.7301504946737466,0.5368571236143954,0.09499174783370541,0.3992772455089812,0.3992772455089817,3.6992267811735227,3.2522175179205743,3.0271255817706133,2.4847842091318206,2.262776160355087,1.7714441989452467,1.2076448229620889,1.2076448229620886,1.6070683785951534,1.1044071629954348,0.849593123355421,0.2494179058096499,0.004703130643947864,0.5540779285873716,1.207644822962087,1.2076448229620875,3.51547682002817,3.0760031382312776,2.844065600412372,2.151382766693803,1.84983072350734,1.2413485259593586,0.5806451612903233,0.5806451612903231,1.8104479782356302,1.3119017151348717,1.0696910661687455,0.603837508280612,0.4203837595069717,0.022025420236445287,0.580645161290322,0.5806451612903222,0,0,0,0,0,3,2,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.5773502691896258,0.2886751345948129,0.0,0.5773502691896258,0.2886751345948129,0.0,4.99156383156272,2.808060412490447,1.9216682964502652,1.393846850117352,0.2886751345948129,0.0,0.0,0.0,0.8319273052604533,0.5616120824980894,0.38433365929005303,0.348461712529338,0.2886751345948129,0.0,0.0,0.0,4.99156383156272,2.808060412490447,1.9216682964502652,1.393846850117352,0.2886751345948129,0.0,0.0,0.0,0.8319273052604533,0.5616120824980894,0.38433365929005303,0.348461712529338,0.2886751345948129,0.0,0.0,0.0,9.792794626501124,19.214857975236704,18.078431372549026,18.320000000000004,11.589881437125744,154.4550910179641,0.48963973132505617,0.9607428987618352,0.9039215686274513,0.9160000000000001,0.5794940718562872,7.7227545508982045,2.442500000000001,29.74599999999998,10.742404729104726,15.978472706604519,21.484809458209455,3.580801576368242,10.742456782927917,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,3000004.2294850536,500000.7049141756,8.948474553875846,29,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.738425925925926,0.0,2.6597222222222223,0.0,0.0,0.0,0.9351851851851851,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.230324074074074,0.0,1.3298611111111112,0.0,0.0,0.0,0.9351851851851851,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2777777777777777,0.0,1.3298611111111112,0.0,0.0,0.0,0.9351851851851851,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.333333333333332,1.722222222222222,0.2,2.2777777777777777,0.2,0.9351851851851851,4.590439814814815,0.3981481481481482,0.2777777777777778,1.4768518518518516,0.3981481481481482,0.2777777777777778,1.4768518518518516,3.0,0.5,0.0,0.0,0.42,0.7,0.42,0.42,0.7,-0.0,0.0,0.0,0.0,0.71429,0.0,0.0,0.5,0.16667,0.0,2.5,0.41667,2.5,0.41667,0.0,0.0,-2.5,-0.41667,0.0,0.0,5.73058,0.9551,5.73058,0.0,0.0,2.80805,0.46801,2.80805,0.0,0.0,0.10595,0.01766,0.10595,0.01766,0.0,5.0,0,0,0,0,0,0,1.0,0.8812908992306927,1.319035274338866,2.2954618442383214,2.708694969562842,2.492598564818474,1.7282129458410016,17.625817984613853,26.38070548677732,45.90923688476643,54.17389939125684,49.85197129636948,34.56425891682003,0.20391151353795506,0.30519602487121955,0.5311198598962682,0.6267330020522786,0.5767330020522786,0.3998708233682546,3.44063719565667,3.002892820548497,2.026466250649041,1.6132331253245207,1.8293295300688888,2.593715149046361,0.20746373294780487,0.31051266062437805,0.5403721784267227,0.6376509394264679,0.586779919603159,0.406836731646587,6.6160959460597875,11.869028447357868,14.367205858459306,14.783672546212948,12.19051568928053,5.393257752456702,23.802045510726657,17.71551634031143,17.305035693768797,16.99759575219031,15.7010173237241,10.202028776648689,6.0,3.2,3.0,6,0,5,2.12,0.9540000000000003,0.9085602964160698,3.3019272488946267,1.8898815748423097,0.0,0.4999999999999999,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.103,0.084,0.08800000000000005,0.024999999999999994,2.54,5.0,4.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,21.0,1.791759469228055,1.791759469228055,1.6094379124341003,0.6931471805599453,0.0,0.0,0.0,0.0,0.0,0.0,3.091042453358316,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.4,5.0,1.0,0,2.0,4.0,1.0,1.5,0.666666666666667,0.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3,0.1333333333333334,0.03125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.46458333333333335,10.742404729104726,15.978472706604519,21.484809458209455,3.580801576368242,10.742456782927917,2.220446049250313E-16,3.700743415417188E-17,-21.626192033470296,3000004.2294850536,500000.7049141756,8.948474553875846,0.0,112.33236645600009,3.584962500721156,3.044522437723423,3.6635616461296463,4.31748811353631,4.962844630259907,5.6240175061873385,6.274762021241939,6.93828448401696,7.590346945602565,8.254528881939745,61.67035666663784,2.3978952727983707,0.0,3.4339872044851463,0.0,4.672828834461906,0.0,5.968707559985366,0.0,7.280008252884188,7.597396320212795,86.109550448,4.3054775223999995,10.675850796199953,1.7793084660333254,0.0,0.0,0.0,31.0,4.0,3.693,20.0,1.220894736842105,2.1031737344196952,2.865487861237151,3.5054598788105205,4.175001234015565,5.7118575299807866,0.0,0.0,0.0,0.0,67.74862771742103,64.92246436879346,61.684201860164954,39.379512625805646,14.139666444427013,5.803612809342397,0.0,0.0,0.0,0.0,263.8372191108719,301.2768942457621,325.9848541215285,303.0664720749939,204.42625422398697,177.54591968780733,0.0,0.0,0.0,0.0,8.85936690336842,14.892880752455474,20.067051947804682,24.36139425280665,28.405811868429122,38.374909188304834,0.0,0.0,0.0,0.0,2.0309853125484203,2.547295131636179,2.9304144994215435,3.0229818232130303,2.453211892782388,2.5395655684883907,0.0,0.0,0.0,0.0,176.39445053093462,330.6965184756539,467.1383627811737,584.5081840574456,743.6575655448837,1056.2232831410734,0.0,0.0,0.0,0.0,2.499333333333333,3.3763141658843603,4.439815547545189,5.353172262641481,5.067398364396693,5.7118575299807866,0.0,0.0,0.0,0.0,0.42226934210526323,0.539354181256977,0.6275097557689246,0.6577444970123298,0.5503139715036371,0.5848942110700325,0.0,0.0,0.0,0.0,348.2452838510406,119.17802200677583,8.411708705540411,145.48146165105865,-49.7873011990137,-8.519307768313887,202.76382219998195,168.96532320578953,16.9310164738543,0.7053401239118409,0.24138457779024472,0.017037174473880402,0.29465987608815913,-0.10083978972697157,-0.01725510689045235,171.93801063222904,58.841376940783,4.153085563298144,71.82808859186565,-24.5813221883218,-4.206210098380367,0.08655029764811478,0.18974904982203766,1.6140666938939021,11.063470112241198,493.7267455020993,0.0,1.0,0.0,310.4078457307497,17.618395095205173,6.770866171770718,446.0263508757768,21.119335947793832,7.64047171687309,486.09972392480836,22.0476693535804,7.862761904322122,1.6003761918109023,1.2058246599887232,297.99800324319267,257.20676835669013,72.90961007383792,1.1585931627970767,4.087225304612114,3.527748510741019,3.5986614467676388,3.2201944036352645,6.424246450394837,0.9949871483356816,3.9046077481021895,4.742643364819892,2.1807666410665463,19.83544935590975,6.276698097509669,5.017174460990199,5.317616430226515,8.391284526883329,2.813927459619321,4.292376917764212,0.16254680401923777,1.1267105496169145,8.026179104848394E-15,1.1027773721920957E-50,2.922420801982873E-108,1.4937350086590368E-187,1.4725846652083677E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3276866713978571,4.742376508284596,0.13945203459005967,5.476519534281499,1.0351450253854815,0.16594250999421906,0.46275532987005413,0.3334372859951192,0.9490169215188707,0.06730141815786098,0.0011458987955155222,0.007935514526761375,5.652903569827095E-17,7.766951201255298E-53,2.058284866093577E-110,1.0520497801654618E-189,1.037153420336769E-290,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.057812520404573,4.742394891387067,0.47887412071269325,7.179925155086362,1.3939153431716607,0.7037342551855165,1.2846890511751579,1.3206970601021775,1.0750387997316326,0.4102758113074906,0.011932760598071244,0.08269417968271339,5.890761360915981E-16,8.093761986793297E-52,2.1448915250668306E-109,1.0963169843968191E-188,1.0807938289399416E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.685631202870316,4.742614261313098,2.0284690079327907,18.52213657743254,5.704235346800951,4.560124359813699,4.960602108017815,7.665380580549083,2.6096736105243745,3.8499553497888224,0.14482701159489214,1.0038788149274471,7.15118108276359E-15,9.825547847239097E-51,2.6038243206397363E-108,1.330891000193545E-187,1.3120464249601051E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5590210264592381,4.7424182260864916,0.7348149778990817,8.71374711637016,1.8513528214192359,1.2072526414324272,1.8991143166177722,2.1936508382138844,1.237158572975901,0.7999535042736149,0.02591692155545434,0.17962280841521377,1.2795520838484675E-15,1.7580732577434633E-51,4.658991007066404E-109,2.3813469872513914E-188,2.3476286192921382E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.715379332691894,4.742765617681443,2.775687179832359,25.1911357174171,8.681918632849472,6.891162688572993,6.707381818856533,11.343089376624244,3.6724726905235414,6.139116741957673,0.23705575255036812,1.6432014465866507,1.1705427911484995E-14,1.6082971565902106E-50,4.26207608598847E-108,2.1784721265636447E-187,2.147626338383388E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.382118358588111,4.050602643189386,1.030788425638518,11.15558878756155,3.130429895662418,2.2635526440252307,3.019410176200966,3.4308530999871913,1.8981041564646401,1.6097355530028719,0.0548071456544832,0.37986911350247693,2.706016680510801E-15,3.7180007137381793E-51,9.852906762148291E-109,5.036109706613194E-188,4.964801576769107E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.530987441338469,1.1304751714715802,0.5858937884539924,0.6729078742369939,0.2154370858436943,0.5029557388386188,0.4417941085872484,0.47652834489288565,5.2473564012640415,6.722815623167028,14.308880529540803,0.509361811355491,1.4212781923187527,2.800335672776924,0.6627090712202928,0.18642183304669757,0.7673273925542318,0.18159066735640317,0.31634254752499336,0.15186406631675844,0.04834147511858871,3.6494665770439143,2.5013950019097413,6.496824680657147,0.6509910888313476,0.5165480889603404,3.1049302417322715,0.8577104202769483,0.35295523024139486,0.7194673271674257,0.19874669493895686,0.3889028419391974,0.25435448292961693,0.17313062134550763,4.315595892250615,4.061765769790171,9.317327685273849,0.5792009907511385,0.8163879462143219,3.5142850464658966,1.119782124317494,0.576762135145579,0.6744195290502576,0.21489518435067273,0.49820879641802784,0.43347800814951787,0.46180873684900015,5.21082930592897,6.607988050617845,14.088511075438563,0.5116292935753864,1.393495541416546,3.234374000276451,0.9405808571107132,0.42372645734009196,0.7033264057499229,0.20453273291595725,0.4220052914718177,0.3058656767126094,0.24943162002151748,4.598681314727257,4.811229100672103,10.698966920805294,0.5549896086248844,0.9773025882059445,3.58286124665882,1.1636853501153417,0.6142545797323303,0.6683443628464667,0.2170730291612285,0.5178421549148686,0.4681256467908921,0.5237129930479313,5.360801176506492,7.0849111292142934,15.006738141449818,0.5025165442697,1.509680794753692,3.5257736150146743,1.1214494467137333,0.5773746200836745,0.674841170505555,0.21464800067146483,0.5014715150266,0.434727231888185,0.46240830993143295,5.224597681812082,6.637165519505616,14.144689094335849,0.5122617557583325,1.3986070568462179 +UMLCN0290,L,4-propyldecane,CCCCCCC(CCC)CCC,Alkanes,,C13H28,NREL (2014),Unknown,PubChem,,39,0,-1.113400000000003,1.2396595600000069,51.323899999999995,41.550203999999965,0,0,41,13,28,0,13,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1903.883364999997,2070.1679159999994,2330.5988279999992,2361.080747999997,2361.0807479999967,2118.9487299999946,1743.7244239999939,1350.2109659999949,956.6975080000004,6376.0645668073275,8294.828079366476,11149.067806533614,12081.58013946154,12081.580139461536,11631.325312583089,10177.236022429579,8163.639332519281,6150.042642609039,286.1437000000001,289.7798880000001,553.0648800000006,754.6188000000018,754.6188000000019,754.5713680000019,749.7339200000016,623.9641200000004,498.19431999999966,48.70486133577205,64.64604068000001,94.91995916728183,108.25834631275168,108.25834631275171,106.24549774305372,96.20547231154374,78.16241459275193,60.11935687396013,6826.020885848973,5808.963609041201,12199.932299735683,17747.46186046314,17747.46186046314,17736.52803508624,18107.13546144553,15149.225151368357,12191.314841291163,62.02777777777778,74.83333333333334,120.50000000000001,150.33333333333331,151.16666666666669,154.66666666666669,148.33333333333334,123.5,98.0,46.43617963414627,51.75419789999999,29.879472153846145,21.86185877777775,21.861858777777748,19.6198956481481,16.145596518518463,15.002344066666609,13.287465388888895,155.51376992212994,207.3707019841619,142.93676675043096,111.86648277279203,111.866482772792,107.69745659799156,94.23366687434795,90.70710369465868,85.41725892512554,6.9791146341463435,7.244497200000002,7.090575384615392,6.987211111111128,6.987211111111129,6.986771925925944,6.941980740740756,6.932934666666672,6.919365555555551,1.1879234472139524,1.6161510170000004,1.21692255342669,1.0023920954884415,1.0023920954884418,0.9837546087319788,0.8907914102920717,0.8684712732527993,0.8349910676938906,166.48831428899933,145.22409022603003,156.40938845814978,164.3283505598439,164.3283505598439,164.22711143598372,167.6586616800512,168.32472390409285,169.32381724015505,1.5128726287262872,1.8708333333333336,1.5448717948717952,1.391975308641975,1.3996913580246915,1.432098765432099,1.373456790123457,1.3722222222222222,1.3611111111111112,0.05768786164840622,-0.00606487557431237,-0.022580755344984292,1.643084236862902E-4,0.003526442365424605,-0.00966801629591507,2.079760346527864E-4,3.0698881099134635E-5,-2.548451770629373E-5,1074.8299335609747,-56.463861425343964,-361.6856021403948,3.456971107673258,3.456971107673258,-238.675046892328,-20.165664794765522,-20.74182664604388,-21.317988497322407,1998.6921583384633,-104.99696141365305,-672.569821708373,6.428385392673675,6.428385392673675,-443.82644148577356,-37.49891479059015,-38.57031235603499,-39.64170992148017,0.2105518048780482,-0.011060882807848216,-0.07085172635335743,6.771969066038048E-4,6.771969066038186E-4,-0.04675480309339629,-0.0039503152885201065,-0.004063181439620686,-0.004176047590721307,8.935083894756966,-0.4693852702686331,-3.006700034807639,0.028737873689923282,0.028737873689923282,-1.9841106960080825,-0.16763759652453034,-0.17242724213951552,-0.1772168877545007,48.5355175267178,-2.549708237801995,-16.332442308977864,0.156104585987762,0.156104585987762,-10.777720790910248,-0.9106100849288056,-0.936627515926766,-0.9626449469247299,3.8644986449864493,-1.026340141450197,-1.1040055522506453,-0.1755899266309743,0.6577434067023588,-0.6064842355740638,0.20652389450723707,-0.13751735078326488,0.042831647828673,0.0014070210158147857,-1.5162188935780924E-4,-2.894968633972345E-4,1.521374293391576E-6,3.2652244124301894E-5,-8.951866940662101E-5,1.925704024562837E-6,3.4109867887927375E-7,-3.5395163480963513E-7,26.215364233194506,-1.411596535633599,-4.63699489923583,0.032008991737715355,0.032008991737715355,-2.209954137891926,-0.18671911847005113,-0.23046474051159865,-0.29608317357392233,48.7485892277674,-2.6249240353413263,-8.622690021902217,0.0595220869692007,0.0595220869692007,-4.109504087831237,-0.3472121739869458,-0.42855902617816655,-0.5505793044650024,0.005135409875074346,-2.765220701962054E-4,-9.08355466068685E-4,6.270341727813007E-6,6.270341727813136E-6,-4.32914843457373E-4,-3.657699341222321E-5,-4.5146460440229846E-5,-5.800066098224038E-5,0.21792887548187723,-0.011734631756715828,-0.03854743634368768,2.660914230548452E-4,2.660914230548452E-4,-0.01837139533340817,-0.0015521999678197254,-0.001915858245994617,-0.0024613456632569543,1.183793110407751,-0.06374270594504987,-0.20939028601253673,0.0014454128332200185,0.0014454128332200185,-0.09979371102694674,-0.008431574860451903,-0.010406972399186289,-0.013370068707287915,0.09425606451186462,-0.02565850353625492,-0.014153917336546735,-0.0016258326539905028,0.006090216728725544,-0.005615594773833925,0.0019122582824744174,-0.0015279705642584987,5.948839976204583E-4,-0.1077609272737175,-0.20575162712092895,0.0010812733259073389,0.023206649905931537,-0.06362283747039986,0.0013686391339703548,2.4242614363634675E-4,-2.5156101496086526E-4,-0.05384615384615571,-0.1768808114961973,0.0012210012210009586,0.0012210012210009586,-0.08429995929996008,-0.007122507122507305,-0.008791208791208737,-0.011294261294260978,-0.053846153846153946,-0.17688081149619603,0.0012210012210014207,0.0012210012210014207,-0.08429995929995952,-0.007122507122507092,-0.00879120879120862,-0.011294261294261006,-0.0538461538461333,-0.17688081149618745,0.0012210012210022926,0.0012210012210023176,-0.08429995929995864,-0.0071225071225096085,-0.00879120879121187,-0.011294261294265376,-0.053846153846150914,-0.176880811496195,0.0012210012210014506,0.0012210012210014506,-0.0842999592999594,-0.007122507122507522,-0.008791208791209213,-0.01129426129426175,-0.05384615384616831,-0.17688081149620258,0.0012210012210006477,0.0012210012210006477,-0.08429995929996023,-0.007122507122505294,-0.008791208791206484,-0.011294261294258309,-0.27222124824684485,-0.15016452691768273,-0.0172491039426524,0.06461352657004822,-0.05957807386629275,0.020287907121707898,-0.016210846189808434,0.006311360448807794,1.6328100671618881,1.3491573350513675,0.9500141340748858,0.9400086818794183,1.0737136951569626,0.9273264553106686,0.9206494281790815,0.9050482535071582,1.5769230769230793,1.3863060016906195,1.001221001221003,1.001221001221003,1.0846560846560864,0.9177859177859193,0.9010989010989027,0.8760683760683775,1.576923076923077,1.386306001690617,1.0012210012210012,1.0012210012210012,1.0846560846560844,0.9177859177859177,0.901098901098901,0.8760683760683762,1.5769230769230789,1.3863060016906192,1.0012210012210028,1.0012210012210028,1.0846560846560866,0.9177859177859189,0.9010989010989021,0.8760683760683771,1.576923076923079,1.3863060016906172,1.0012210012210014,1.0012210012210014,1.0846560846560847,0.9177859177859181,0.901098901098902,0.8760683760683773,1.5769230769230804,1.3863060016906195,1.001221001221003,1.001221001221003,1.0846560846560864,0.9177859177859193,0.9010989010989028,0.8760683760683781,1.8688639551192145,1.0947782932355161,0.8066464079788062,0.7267804269908056,1.0302711547452081,0.9184587813620071,1.0254791958859282,1.006311360448808,99.67697353808649,49.83848676904325,73.90339009436768,99.67697353808649,7.667459502929731,49.83848676904325,2.1316282072803006E-14,0.15460562170186903,0.011892740130913003,-2.426941114787686,71.8651212960059,5.528086253538915,5.5572283608831645,99.67697353808649,49.83848676904325,73.90339009436768,99.67697353808649,7.667459502929731,49.83848676904325,2.1316282072803006E-14,0.15460562170186903,0.011892740130913003,-2.426941114787686,71.8651212960059,5.528086253538915,5.5572283608831645,99.67697353808649,49.83848676904325,73.90339009436768,99.67697353808649,7.667459502929731,49.83848676904325,2.1316282072803006E-14,0.15460562170186903,0.011892740130913003,-2.426941114787686,71.8651212960059,5.528086253538915,5.5572283608831645,99.67697353808649,49.83848676904325,73.90339009436768,99.67697353808649,7.667459502929731,49.83848676904325,2.1316282072803006E-14,0.15460562170186903,0.011892740130913003,-2.426941114787686,71.8651212960059,5.528086253538915,5.5572283608831645,99.67697353808649,49.83848676904325,73.90339009436768,99.67697353808649,7.667459502929731,49.83848676904325,2.1316282072803006E-14,0.15460562170186903,0.011892740130913003,-2.426941114787686,71.8651212960059,5.528086253538915,5.5572283608831645,99.67697353808649,49.83848676904325,73.90339009436768,99.67697353808649,7.667459502929731,49.83848676904325,2.1316282072803006E-14,0.15460562170186903,0.011892740130913003,-2.426941114787686,71.8651212960059,5.528086253538915,5.5572283608831645,114.65891359894893,57.21887987639749,85.48739179794849,114.47178342143403,8.805521801648773,57.21887987639749,-0.22115384615395328,0.12972630649715317,0.009978946653627167,-2.6550268972452042,85.46031660023324,6.573870507710249,5.782467775329564,0,11.889999999999995,12.110219518117955,-0.17038872703632146,0.05006314937014372,5.156460456699874,9.488959053342636,12.0,40.0,40.0,40.0,12.0,0.0,0.0,0.0,0.0,0.0,30.609795999999992,3.5961984996750864,3.3826059247225446,3.1587260666029606,3.044658439397453,2.7234511070190983,2.362021221371019,2.183920019976966,1.903280919801394,1.970475273014266,1.8406240659559745,1.7088829911445012,1.6171820214880357,1.3986445189370809,1.1773775513934974,1.0916179333990528,0.9051134179458052,3.621253140721356,3.4140034146206797,3.1972402575009724,3.084657308798898,2.7714517354998813,2.4221261573212067,2.2533236133568275,1.980965609292987,1.9152421736374312,1.7747638322957813,1.6317336011836348,1.5370135368602627,1.3063005064314241,1.0699461125447198,0.9757096246993562,0.7793052817506254,3.7316539681548573,3.5513239410056325,3.3647010139811853,3.2589448708226025,2.9798377671653404,2.679738098204638,2.546003083689894,2.30719201651982,1.7537488750044512,1.5785651672691914,1.3976618505360248,1.2932855365711862,1.0206265352824426,0.729413792223359,0.6015651512168515,0.3687416806711879,3.6397216058757085,3.4370993312357507,3.22553055495365,3.1140647303299396,2.8067239621266453,2.466136868813668,2.303876515065057,2.037502592949451,1.8801622255191006,1.7326002214577498,1.581957034690615,1.4852328764933105,1.2462173490579451,0.9993790785181734,0.8990644770566052,0.695760999324095,3.785593091881809,3.617666410036921,3.4447908655003965,3.3423898338602895,3.078742426995209,2.7997352416768835,2.679762813132366,2.4551198248961,1.7036395717293755,1.516660208971319,1.3226200741067486,1.2151113701373557,0.9276181878435981,0.6157635836473833,0.4740403316760594,0.22727014074494814,3.621488010945638,3.47028559318285,3.3228351308470665,3.195755926114009,2.91130047106083,2.5682393244132538,2.435465570245523,2.14069590495627,1.87949830603612,1.6852678494203135,1.4751833640834464,1.387374516842913,1.1173389177479018,0.8631486763085218,0.7384019512664964,0.5547125676486366,0,0,0,0,0,3,9,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.4330127018922194,0.696923425058676,0.6247546414099728,0.4330127018922194,0.696923425058676,0.6247546414099728,9.941311299868556,6.346065214951233,4.2927109793486995,2.8597726764064206,2.109298680008802,1.2644373275660916,0.7391989197401168,0.3907372072107787,0.7647162538360427,0.5288387679126028,0.357725914945725,0.23831438970053506,0.1757748900007335,0.12644373275660917,0.0923998649675146,0.06512286786846312,9.941311299868556,6.346065214951233,4.2927109793486995,2.8597726764064206,2.109298680008802,1.2644373275660916,0.7391989197401168,0.3907372072107787,0.7647162538360427,0.5288387679126028,0.357725914945725,0.23831438970053506,0.1757748900007335,0.12644373275660917,0.0923998649675146,0.06512286786846312,20.58558925300222,39.42971595047344,37.15686274509803,37.64,24.179762874251523,315.6528766467066,0.5020875427561516,0.9617003890359375,0.906264945002391,0.9180487804878049,0.5897503140061348,7.698850649919673,5.173200000000005,62.06500000000006,49.83848676904325,73.90339009436768,99.67697353808649,7.667459502929731,49.83848676904325,0.15460562170186903,0.011892740130913003,-2.426941114787686,71.8651212960059,5.528086253538915,5.5572283608831645,167,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,9.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.915649407911313,0.0,12.883557886117412,0.0,0.0,0.0,1.0341260393046106,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.287270565633661,0.0,1.367283950617284,0.0,0.0,0.0,1.0341260393046106,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.314189421138826,0.0,1.4877777777777779,0.0,0.0,0.0,1.0341260393046106,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.833333333333336,1.6025641025641026,0.2,2.314189421138826,0.2,1.0341260393046106,9.636939012030739,0.2992072940287227,0.3141894211388259,1.831298815822625,0.2992072940287227,0.3141894211388259,1.831298815822625,6.5,0.5,0.0,0.0,0.42683,0.7,0.42683,0.42683,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.23077,0.07692,0.0,6.0,0.46154,6.0,0.46154,0.0,0.0,-6.0,-0.46154,0.0,0.0,16.48843,1.26834,16.48843,0.0,0.0,6.34606,0.48816,6.34606,0.0,0.0,0.06794,0.00523,0.06794,0.00523,0.0,12.0,0,0,0,0,0,0,1.0,0.9011701959974223,1.2626702891849813,2.3671245644328076,3.1853898088629227,3.2801577781845714,3.046696678174082,36.947978035894316,51.76948185658423,97.05210714174511,130.60098216337983,134.48646890556742,124.91456380513736,0.16820559001959007,0.23568045407615068,0.4418295076543171,0.5945606885602215,0.6122493585423254,0.5686732812948715,4.4563818086206615,4.094881715433102,2.990427440185276,2.172162195755161,2.0773942264335123,2.3108553264440017,0.16933152420137976,0.23725805134383451,0.444787024970676,0.5985405574951386,0.6163476318546531,0.5724798651640867,6.683794723801698,11.02179584205241,15.9592746080981,18.129693339756447,16.518861283482288,16.81977699986907,51.50405783451427,42.20503369534106,34.49685690634757,29.62194337906554,32.28608264296005,32.865713612227665,13.0,10.083333333333334,8.333333333333334,13,0,10,2.8899999999999997,1.9403000000000015,0.381571414184444,6.6478574212985935,0.7937005259840998,0.0,12.265523318737166,4.532385238201483,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.103,0.084,0.08800000000000005,0.024999999999999994,6.0329999999999995,12.0,12.0,12.0,10.0,8.0,6.0,4.0,2.0,0.0,91.0,2.5649493574615367,2.5649493574615367,2.5649493574615367,2.5649493574615367,2.3978952727983707,2.1972245773362196,1.9459101490553132,1.6094379124341003,1.0986122886681098,0.0,4.5217885770490405,1.0,0.4444444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,0.75,12.0,1.0,1,5.0,9.0,0.8,1.5,0.666666666666667,0.375,0.2400000000000001,0.1666666666666667,0.08163265306122448,0.0625,0.049382716049382706,0.0,0.0,0.125,0.05555555555555558,0.03125,0.020000000000000007,0.01666666666666667,0.01020408163265306,0.010416666666666666,0.012345679012345677,0.0,0.0,0.2814386495338877,49.83848676904325,73.90339009436768,99.67697353808649,7.667459502929731,49.83848676904325,0.15460562170186903,0.011892740130913003,-2.426941114787686,71.8651212960059,5.528086253538915,5.5572283608831645,0.0,233.40425883706678,4.700439718141093,3.8918202981106265,4.574710978503383,5.293304824724492,6.003887067106539,6.736966958001855,7.457609289715606,8.196161139282902,8.921190556249368,9.662116382947598,85.73776749464238,3.2188758248682006,0.0,4.290459441148391,0.0,5.53338948872752,0.0,6.8679744089702925,0.0,8.254528881939745,8.549853973655786,184.219100896,4.493148802341463,24.673285010414425,1.8979450008011096,0.0,0.0,0.0,310.0,12.0,7.676,48.0,1.2359999999999998,2.1342767706579573,2.8716684090498763,3.573381394185646,4.541596518711578,5.371173015731762,6.313615158857379,7.594953046836872,8.901641865054744,10.024228680069205,75.34690914569995,71.7395147119618,73.27432427812465,94.28215978786423,102.6385293685732,102.42304407075187,114.39959957203845,117.30798758116869,102.66543699503917,49.20547978428965,282.89617022354,327.82976112470857,349.1629658582554,450.3382484670394,531.5379761391196,554.0233157423411,638.4796852854181,708.1454392306736,721.1978143428687,605.8964466272769,8.990608851600005,15.184857000161916,20.11994866750446,25.10053446169707,31.842430834579968,37.407307949493116,43.95961366151249,52.73766757579269,61.526915409550156,68.7517644998441,2.141810781920999,2.7361948932682716,3.0426845513022323,3.904261671502993,4.738200665995479,5.086046358444062,5.9139240528193024,6.74266086793293,7.210387582863696,6.810322708956511,177.23011822064137,330.1094878348066,468.06374320335163,577.410985696907,737.6230932775759,891.661610462062,1048.6676735399767,1271.924407031582,1511.7401665880589,1741.7959219614993,2.3743624999999993,3.3813605148243764,4.091727467281546,5.226874161495508,6.693234332754894,7.551127098629073,8.96190945073351,10.685196131703442,12.508035654713401,13.542408957625524,0.44399024999999986,0.5777285114969586,0.6486012033407507,0.8311371186303894,1.0131293608771317,1.0939098969328975,1.2736194358983484,1.4586825534822823,1.5721799254671207,1.5105826230308361,566.0589711078917,402.6498870223472,13.951157678749011,194.38411467038338,-138.26958992943995,-11.760061811941073,371.6748564375083,540.9194769517871,25.711219490690084,0.7443804562027927,0.5294937840223183,0.01834609050915455,0.2556195437972075,-0.1818276640492142,-0.01546474947550512,430.45563072176054,306.1923225755475,10.609061395407174,147.81805598622438,-105.14615363524,-8.942857693215721,0.04200524776421535,0.0916124122175048,0.5055077125142969,6.084855366333631,760.443085778275,0.0,1.0,0.0,744.9788297537992,27.294300316252826,9.065281831960075,1016.2158400438528,31.878140473431834,10.053763233611223,1369.1158663150557,37.00156572788583,11.104015716406195,2.6755613560609284,2.6755613560609284,2412.1101661450934,2188.425910274943,322.61827317759116,1.102212396051392,7.476669385113543,6.7833290678804286,6.382471646333098,6.901696073057126,12.517572780258538,0.8136951624289425,8.153584244619184,11.388712192956076,4.826440391929134,46.173348120092044,20.737447694752934,9.239983899478666,16.731301632437532,23.44881604448314,29.427102796347807,11.905319286875347,8.012883513703247,27.053323321154735,8.669512766266598,21.635414817812237,5.847061753091472,6.918187365288041,8.133947823953225,7.3674556832458675,6.84495187128143,5.852115136093908,2.591962189708197,0.8315517089370981,0.2823763830192396,2.4509729114244765,1.5611086829557146E-10,2.423946210120688E-42,7.259202141614881E-96,4.19305642628047E-171,4.6714147570249984E-268,0.0,0.6577987600508328,11.381755149506777,0.3362708792133806,13.422344036350195,1.2924313308294013,1.187817211084907,2.5554601459712125,1.3826080917878891,6.947857671870148,1.195571193261404,0.27645889898579834,2.8664105316696746,0.7833023068055559,4.683024099314518,0.26527269159173794,0.475449780649432,0.4031814114735688,0.24128478145803353,1.8700813623339625,0.2020099272261791,0.15315467222783313,0.006409007666391886,0.023697580392466215,0.01726240261966175,1.0995016098553814E-12,1.7072051352533226E-44,5.112715423412716E-98,2.953203925674797E-173,3.2901156093287036E-270,0.0,2.14089975858912,11.382232281351543,1.1308437096773072,16.364639241000265,2.854600376040394,2.1322304129979632,4.68800404439028,4.723243114219538,9.865382363150307,2.421435342357816,1.1499621353228882,6.473831238425239,1.7880271853005991,7.2044997275182805,1.0029713572768235,1.3364888333835054,1.3525122981364155,0.986179418629395,2.7008275781274427,0.8426204600783725,0.527043860530545,0.06155241188249672,0.07649888430734192,0.17988754467925333,1.1457654494890148E-11,1.7790393771417576E-43,5.327843663627192E-97,3.0774661837726336E-172,3.428554134167352E-269,0.0,7.67808876072113,11.387952703606102,4.5084077264744895,42.84424711470983,18.69553028911266,8.499680215011521,15.59423335557234,21.686313705358565,27.459806221917653,10.909980824523094,7.289623900752881,25.102233906484855,7.972689001683453,20.265460949748853,5.363253392204603,6.363135831264574,7.438268499404382,6.680125154401252,6.475042184967554,5.324844742364454,2.398820140276178,0.7409602962454881,0.26654005590465923,2.183772737884322,1.3909197310270787E-10,2.1596924335990107E-42,6.467818416824855E-96,3.735937785946478E-171,4.162146446495333E-268,0.0,3.172942117308782,11.382839798494933,1.7125074249469148,19.495772087033583,4.641660663971445,2.9881491107061295,6.3778993524892575,7.361965951216763,12.364316730980704,3.5480629615798214,1.9591215546335294,9.345011241978737,2.657381923565884,9.214183259260855,1.6286405667326824,2.0623852724487186,2.190867291732081,1.7082534593156407,3.3259592443731267,1.4346096809050892,0.8205024954726885,0.13304353293639115,0.11274548878907491,0.39073978480929655,2.4887556610632753E-11,3.864311254184387E-43,1.157278837917987E-96,6.684667782582116E-172,7.447277725538277E-269,0.0,9.932988120628941,11.391902999901948,6.052963183069695,60.0029358944995,29.264571516921023,12.261849173975774,21.247047989189543,30.441938055943876,37.38230398420859,15.976308174099199,10.97423719937346,34.81141487219063,11.492558884981138,27.084858138800055,7.799724815933934,9.155678659376646,10.962262070588968,10.197404039411392,8.288762864577093,8.010297769842841,3.356857293021265,1.2124750945106397,0.3410113970612709,3.5745136450233277,2.2767302986414686E-10,3.53509774118365E-42,1.0586864092310275E-95,6.115178727692002E-171,6.81281939621458E-268,0.0,5.165758353573132,10.528180883411311,2.695499987475818,25.920052853950274,9.134050649594988,4.672897412401435,9.593443379886157,12.554528934629205,17.3685811035011,5.952112372179434,3.710568392618219,14.983508472115652,4.5616076249045,13.52293702361566,2.9556267347974186,3.495534657361279,4.370610103213822,3.506215289566658,5.397871374474088,2.6977804948480024,1.669246165646416,0.32444983834736163,0.21989958922633657,0.9543500283588169,6.078582545345644E-11,9.43826479511953E-43,2.826559093093436E-96,1.632675539039384E-171,1.8189367924313657E-268,0.0,12.976329858218717,2.078192521505617,0.7111312033573632,0.823075921961381,0.13181772075315348,0.5099498820467716,0.34390282077650486,0.4119581743214902,15.765653583081697,37.6730522838039,72.61600266462096,0.7346138829420715,1.2658108771447667,11.610715660787378,1.484578603782695,0.26860492219750964,0.8688119760948109,0.11108873114312831,0.4084754186335291,0.17554834684671916,0.05955924606480773,13.363899186767581,20.75448054169793,38.74832815646479,0.8032179641422162,0.643583011545056,12.165791367593316,1.7258451698206188,0.44868455614567493,0.8483625497798024,0.12034913015969453,0.4483593284145174,0.23721133790203877,0.16531959090054898,14.340321093559611,27.229235042732917,50.990259239935625,0.7725438246697037,0.8508902572171051,12.943773931888911,2.064039488306165,0.7006004812195241,0.824002602243838,0.13139706537273574,0.5073993502278735,0.3392365618189242,0.39997862673452583,15.7084139014146,37.23094182736816,71.65692082776772,0.736003903365757,1.2466145387813234,12.407733165981899,1.8310147261989806,0.5270836291988499,0.8403003344590858,0.12400349574270975,0.4663272769636176,0.2669891567306306,0.22760116882442255,14.765831521379729,30.22375305991853,56.96426164226579,0.7604505016886288,0.9609176025186708,13.077858999254698,2.122330579021696,0.7439670036172132,0.820228961756816,0.13311024437829735,0.5179452209863799,0.3586597497211052,0.45041891267486556,15.944156581893607,39.0639795572162,75.65734211300119,0.730343442635224,1.3270238833823504,12.987850437959228,2.07318163012931,0.7020512661395495,0.8239409868345555,0.13152132651786383,0.5108468918044172,0.3421783911520725,0.4016074639512919,15.763083334228089,37.499789575613896,72.1664267166581,0.7359114802518334,1.2546327469077816 +UMLCN0291,L,n-undecane,CCCCCCCCCCC,Alkanes,,C11H24,NREL (2014),"20% Blend, CFR",PubChem,,81,0,-2.4894,6.197112359999999,38.0018,35.36303199999997,0,0,35,11,24,0,11,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1611.2908669999974,1733.2113219999992,1822.1157449999973,1658.889127999995,1462.1323989999955,1265.375669999996,1068.6189409999965,871.8622120000002,675.1054830000003,5404.695785584948,6988.847810385742,9096.84616976971,9115.811391035286,8109.013046080136,7102.214701125012,6095.4163561698915,5088.6180112147695,4081.8196662596565,244.18881200000015,246.22832800000003,467.5821480000001,626.4065600000005,563.52166,500.63675999999964,437.75185999999974,374.86695999999995,311.9820600000001,41.34860971637604,54.61406344000002,78.53815459273493,84.18885159335582,75.16732273395995,66.14579387456408,57.1242650151681,48.102736155772085,39.08120729637604,5832.761565571977,4942.884706009601,10346.060989115538,14969.38835087716,13490.433195838563,12011.478040799966,10532.522885761371,9053.567730722774,7574.6125756841775,52.25,63.0,101.75,122.5,110.25,98.0,85.75,73.5,61.25,46.036881914285644,50.97680358823527,27.607814318181777,18.432101422222168,18.051017271604884,17.57466208333328,16.962205412698356,16.145596518518524,15.002344066666673,154.41987958814136,205.55434736428654,137.83100257226832,101.2867932337254,100.11127217382884,98.64187084895849,96.75264057412527,94.23366687434758,90.70710369465904,6.9768232000000046,7.242009647058825,7.084578000000001,6.960072888888894,6.957057530864198,6.953288333333329,6.948442222222218,6.94198074074074,6.932934666666669,1.1813888490393154,1.6062959835294122,1.1899720392838624,0.9354316843706202,0.9279916386908635,0.9186915815911677,0.9067343653201285,0.8907914102920756,0.8684712732528009,166.65033044491364,145.37896194145887,156.7584998350839,166.32653723196844,166.54855797331558,166.82608389999953,167.18290294859318,167.65866168005138,168.32472390409282,1.4928571428571429,1.8529411764705883,1.5416666666666667,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,0.04989085598463323,-0.0044138846237198204,-0.023217126057441487,-9.914503694358288E-5,-2.8176150657507285E-6,-2.0864481546341643E-8,9.633612458822584E-8,1.510445040071558E-6,1.3230589170285184E-5,913.1836107428561,-56.92573157877722,-404.11339657224653,-9.882939510203876,-10.278257090611994,-10.67357467102017,-11.068892251428345,-11.464209831836463,-11.859527412244638,1698.1039185129912,-105.8558286865241,-751.4661171861077,-18.377748035854914,-19.1128579572892,-19.847967878723367,-20.58307780015754,-21.3181877215916,-22.053297643025772,0.1788863999999997,-0.011151359999996995,-0.07916303999999746,-0.00193600000000042,-0.0020134400000004597,-0.0020908800000004994,-0.0021683200000005252,-0.002245760000000565,-0.0023232000000006046,7.591314605718174,-0.4732248065901967,-3.359403184283697,-0.08215708447746796,-0.08544336785656782,-0.08872965123566769,-0.09201593461476755,-0.09530221799386786,-0.09858850137296772,41.23614142144383,-2.570564660038614,-18.248331414749792,-0.44627858681210353,-0.4641297302845805,-0.4819808737570609,-0.49983201722953774,-0.5176831607020128,-0.5355343041744897,3.042857142857145,-0.6559183673469389,-1.102244897959183,0.0326530612244904,0.029387755102041384,0.02612244897959192,0.022857142857142708,0.019591836734693578,0.016326530612244837,0.0014254530281323779,-1.298201359917594E-4,-3.517746372339619E-4,-1.1016115215953652E-6,-3.478537118210776E-8,-2.8978446592141173E-10,1.5291448347337435E-9,2.7971204445769592E-8,2.940130926730041E-7,26.090960306938747,-1.6742862229052122,-6.122930251094644,-0.1098104390022653,-0.12689206284706167,-0.1482440926530579,-0.17569670240362453,-0.21230018207104562,-0.2635450536054364,48.517254814656894,-3.1134067260742384,-11.385850260395571,-0.20419720039838793,-0.23596120934924938,-0.2756662205378245,-0.32671552063742126,-0.39478125410354814,-0.4900732809561283,0.005111039999999991,-3.2798117647049986E-4,-0.0011994399999999616,-2.151111111111578E-5,-2.485728395062296E-5,-2.9040000000006935E-5,-3.441777777778612E-5,-4.158814814815861E-5,-5.16266666666801E-5,0.21689470302051925,-0.01391837666441755,-0.05090004824672268,-9.128564941940884E-4,-0.0010548563932909608,-0.0012323562671620512,-0.001460570390710596,-0.0017648558887753307,-0.0021908555860659495,1.1781754691841095,-0.07560484294231218,-0.2764898699204514,-0.004958650964578928,-0.005729996670180006,-0.0066941788021814014,-0.007933841543325996,-0.009586725198185422,-0.011900762314988659,0.08693877551020414,-0.019291716686674672,-0.016700680272108834,3.628117913832267E-4,3.6281179138322696E-4,3.628117913832211E-4,3.628117913832176E-4,3.6281179138321443E-4,3.628117913832186E-4,-0.09107289642637273,-0.24678093931643294,-7.728150278222016E-4,-2.4403028718303963E-5,-2.032928901916088E-7,1.0727430540010302E-6,1.9622677067386317E-5,2.0625940446330858E-4,-0.0641711229946544,-0.2346763085399461,-0.004208754208754126,-0.004863449307893639,-0.0056818181818180605,-0.006734006734006604,-0.008136924803591286,-0.01010101010100989,-0.06417112299465239,-0.23467630853994537,-0.004208754208754216,-0.004863449307893783,-0.005681818181818208,-0.006734006734006756,-0.008136924803591445,-0.01010101010101006,-0.06417112299463523,-0.2346763085399378,-0.004208754208755129,-0.004863449307894871,-0.005681818181819549,-0.006734006734008377,-0.008136924803593532,-0.010101010101012747,-0.06417112299464874,-0.23467630853994298,-0.004208754208754134,-0.004863449307893732,-0.005681818181818228,-0.006734006734006866,-0.008136924803591756,-0.010101010101010555,-0.0641711229946663,-0.2346763085399508,-0.004208754208753651,-0.004863449307893033,-0.0056818181818173,-0.006734006734005596,-0.008136924803589962,-0.010101010101008109,-0.22190002761668035,-0.19209702660406863,0.0041731872717788955,0.004173187271778899,0.004173187271778831,0.004173187271778791,0.004173187271778755,0.004173187271778803,1.6181742239311907,1.4113651818205961,0.9315048459194252,0.9286797080510861,0.9260068487820164,0.9225998110471172,0.9180407389047619,0.9115016673299322,1.5909090909090937,1.434228650137744,0.9515993265993283,0.9460344182566424,0.9390782828282845,0.9301346801346818,0.9182098765432115,0.901515151515153,1.5909090909090926,1.4342286501377421,0.9515993265993276,0.9460344182566413,0.9390782828282837,0.930134680134681,0.9182098765432108,0.9015151515151526,1.5909090909090913,1.4342286501377413,0.9515993265993268,0.9460344182566406,0.939078282828283,0.9301346801346803,0.9182098765432101,0.9015151515151518,1.5909090909090908,1.4342286501377397,0.951599326599326,0.9460344182566401,0.9390782828282829,0.9301346801346801,0.9182098765432097,0.9015151515151515,1.590909090909092,1.4342286501377408,0.9515993265993266,0.9460344182566406,0.9390782828282831,0.9301346801346807,0.9182098765432106,0.901515151515152,1.8075117370892007,1.1850903400199166,0.806990088680229,0.8276821422361323,0.8535472091810115,0.8868022952529988,0.9311424100156488,0.9932185706833588,83.27678045305557,41.63839022652778,66.32546526588186,83.27678045305557,7.570616404823234,41.63839022652778,0.0,5.551115123125783E-17,5.046468293750712E-18,-41.17294252526076,2000029.9561581695,181820.90510528814,15.959539988140248,83.27678045305557,41.63839022652778,66.32546526588186,83.27678045305557,7.570616404823234,41.63839022652778,0.0,5.551115123125783E-17,5.046468293750712E-18,-41.17294252526076,2000029.9561581695,181820.90510528814,15.959539988140248,83.27678045305557,41.63839022652778,66.32546526588186,83.27678045305557,7.570616404823234,41.63839022652778,0.0,5.551115123125783E-17,5.046468293750712E-18,-41.17294252526076,2000029.9561581695,181820.90510528814,15.959539988140248,83.27678045305557,41.63839022652778,66.32546526588186,83.27678045305557,7.570616404823234,41.63839022652778,0.0,5.551115123125783E-17,5.046468293750712E-18,-41.17294252526076,2000029.9561581695,181820.90510528814,15.959539988140248,83.27678045305557,41.63839022652778,66.32546526588186,83.27678045305557,7.570616404823234,41.63839022652778,0.0,5.551115123125783E-17,5.046468293750712E-18,-41.17294252526076,2000029.9561581695,181820.90510528814,15.959539988140248,83.27678045305557,41.63839022652778,66.32546526588186,83.27678045305557,7.570616404823234,41.63839022652778,0.0,5.551115123125783E-17,5.046468293750712E-18,-41.17294252526076,2000029.9561581695,181820.90510528814,15.959539988140248,91.34176647922914,45.60270142143277,73.14465898524693,91.2301962312953,8.293654202845026,45.60270142143277,-0.1363636363635976,3.885780586188048E-16,3.532527805625498E-17,-39.03244136129991,2000029.6828123943,181820.8802556722,15.959539837802312,0,11.889999999999999,12.110176166327694,-0.17050517180289018,0.049887944594048245,5.114887429447139,7.484885086502149,10.0,34.0,34.0,34.0,10.0,0.0,0.0,0.0,0.0,0.0,26.236967999999994,3.521812291993885,3.371723967362218,3.134916013553223,2.8309757420783255,2.4862967282156063,2.1323396087870896,1.8018693063292213,1.5224457309026382,1.9380230146878903,1.8369515487822652,1.6776282612139597,1.4757385671617473,1.2543633087090817,1.0400663528085061,0.8551005363972263,0.7107249830547557,3.5504149116640575,3.4037431077027205,3.1726202309277802,2.8766536559651508,2.5422881998043407,2.200948400741412,1.884916903660157,1.6203977662123337,1.878062249460006,1.7703111676086547,1.6010685333756338,1.3870204531748962,1.1519633963134723,0.9233187772681725,0.7247525800416715,0.5690240336312788,3.675187702253529,3.543576632053115,3.3371181549743696,3.07498697915586,2.78319302076199,2.4921411282751356,2.231035536060382,2.020007199347099,1.6999068143046558,1.5712734993559858,1.3695971175789419,1.1138575680074017,0.829863642590294,0.547696640355617,0.2958592123168969,0.09337824862988497,3.571432156406808,3.4272857411520414,3.2003469700701883,2.910212397154231,2.5833287159687663,2.251041483339445,1.945209541030022,1.6910041349935927,1.839730603917434,1.7276031270031533,1.5517357867287425,1.3294132477039302,1.0849023138116383,0.8461984249129657,0.637935709982111,0.4739778217530123,3.7353848874627014,3.611002781247451,3.4160906759503957,3.1692882008059327,2.896065841018266,2.626002035327499,2.3865868876116276,2.195360083343059,1.6437245571666264,1.508311984285237,1.2956991508545828,1.0252562865575696,0.723200070804458,0.4203022837560139,0.14663875528025783,0.07618392110078231,3.5794312186353867,3.4708299049296163,3.2777136058037257,3.0080301280400428,2.689032257080052,2.359512560518155,2.0587488211475753,1.814361100833775,1.8110777847124095,1.6701505593649368,1.4592661470475217,1.2083409361704303,0.9476982828794781,0.7016101213960779,0.48723007154003,0.31520468214553443,0,0,0,0,0,2,9,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.36396103067893,5.414213562373096,3.474873734152917,2.2071067811865475,1.3838834764831844,0.8535533905932737,0.5151650429449552,0.30177669529663687,0.7603600936980844,0.5414213562373096,0.3860970815725463,0.27588834764831843,0.19769763949759778,0.1422588984322123,0.10303300858899105,0.07544417382415922,8.36396103067893,5.414213562373096,3.474873734152917,2.2071067811865475,1.3838834764831844,0.8535533905932737,0.5151650429449552,0.30177669529663687,0.7603600936980844,0.5414213562373096,0.3860970815725463,0.27588834764831843,0.19769763949759778,0.1422588984322123,0.10303300858899105,0.07544417382415922,17.501933645430487,33.65404224326293,31.705882352941188,32.11999999999999,20.582653892215582,269.5963664670659,0.5000552470122996,0.9615440640932266,0.9058823529411768,0.9177142857142855,0.5880758254918738,7.702753327630454,4.537100000000004,52.90100000000004,41.63839022652778,66.32546526588186,83.27678045305557,7.570616404823234,41.63839022652778,5.551115123125783E-17,5.046468293750712E-18,-41.17294252526076,2000029.9561581695,181820.90510528814,15.959539988140248,150,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,9.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1999999999999997,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.549767731166541,0.0,12.95023226883346,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2748838655832704,0.0,1.37,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2748838655832704,0.0,1.4722222222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.5,1.5909090909090908,0.2,2.2748838655832704,0.2,1.37,8.207511613441673,0.13,0.2748838655832704,1.0995354623330813,0.13,0.2748838655832704,1.0995354623330813,5.5,0.5,0.0,0.0,0.42571,0.7,0.42571,0.42571,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.18182,0.0,0.0,5.0,0.45455,5.0,0.45455,0.0,0.0,-5.0,-0.45455,0.0,0.0,12.33112,1.12101,12.33112,0.0,0.0,5.41421,0.4922,5.41421,0.0,0.0,-2.1E-4,-2.0E-5,-2.1E-4,-2.0E-5,0.0,10.0,0,0,0,0,0,0,1.0,0.8980587934501658,1.1130423017938647,1.8658570316680585,2.317214891585818,2.3663337482524627,2.1917760479982986,31.432057770755804,38.95648056278526,65.30499610838204,81.10252120550363,82.8216811888362,76.71216167994045,0.1750846639741582,0.21699763848414036,0.36376566188764814,0.45176194878128717,0.4613381130335573,0.42730651452797674,4.2312242234948005,4.016240715151102,3.263425985276908,2.8120681253591484,2.7629492686925037,2.9375069689466677,0.17652390228160386,0.21878141158477996,0.3667559036577629,0.4554755413243114,0.46513042396411713,0.43081907748335085,6.673894307913393,9.25369640803778,12.172471275031642,13.268626918508092,13.11241250939344,11.763360795457855,43.595449500465214,38.99655443673954,36.665142294776,34.89654782271818,35.76025269913566,38.52243264195188,11.0,10.0,10.0,11,0,11,2.67,1.6585000000000016,0.09999999999999998,4.340313073803048,0.0,0.0,13.18512473533854,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.08499999999999999,0.064,0.12700000000000003,0.04000000000000001,5.263,9.0,8.0,7.0,6.0,5.0,4.0,3.0,2.0,1.0,66.0,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,4.204692619390966,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.8,10.0,1.0,1,5.0,10.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.0,0.05,0.02469135802469137,0.015625,0.01142857142857143,0.009259259259259259,0.00816326530612245,0.0078125,0.008230452674897117,0.010000000000000002,0.0,0.14521040669354163,41.63839022652778,66.32546526588186,83.27678045305557,7.570616404823234,41.63839022652778,5.551115123125783E-17,5.046468293750712E-18,-41.17294252526076,2000029.9561581695,181820.90510528814,15.959539988140248,0.0,198.81228958533345,4.459431618637298,3.6635616461296463,4.290459441148391,4.9344739331306915,5.579729825986222,6.2324480165505225,6.884486652042782,7.5406215286571525,8.195609567288775,8.853236764745898,77.17462737568007,3.044522437723423,0.0,4.04305126783455,0.0,5.176149732573829,0.0,6.371611847231857,0.0,7.601402334583733,7.954372272531867,156.187800768,4.462508593371428,20.82876222801817,1.8935238389107427,0.0,0.0,0.0,220.0,8.0,6.599,38.0,1.2335882352941174,2.1299185776733434,2.8559073428519683,3.594999949667005,4.931473986229599,5.945839408806497,7.264323059086235,8.36445151921716,9.660835715284133,10.787381814443576,74.1337381613529,66.01408426818696,64.6319801139568,84.58480780376452,103.76323255518591,120.67564980690223,134.63184617648494,143.24893363396055,142.8362625232745,124.07498029118837,279.8531444156349,314.45866592991086,319.9702224904207,426.42584590094367,538.0976348477901,642.0367278923882,739.7080428454603,820.0497710794607,874.4984500524887,871.59882355301,8.969654254823531,15.138097215226598,19.93261641504763,25.20286410914148,34.41840250412241,41.5065522032738,50.57649340893078,58.171954803729015,66.99072767689525,74.549812698657,2.1241159590799987,2.662933389924557,2.848106725660437,3.7734999075740503,4.85433666904137,5.829690742071131,6.824823701462029,7.670940081610268,8.391880312209446,8.719034628378127,177.09669228699073,330.3760374597993,471.24762869031855,584.3059405397518,813.293951761482,979.6154778988287,1206.9705881887583,1394.2428990316303,1624.9892178944053,1832.870259141841,2.351735294117647,3.364319489256625,3.9889621604545513,5.199006994871961,6.930599286985646,8.412797839105517,10.148373145569265,11.71172495879236,13.433473532233606,15.133542994226227,0.440522205882353,0.563572742207309,0.6095730118068663,0.8060425050714041,1.0409294936580364,1.2511373576685145,1.4690279982724717,1.6547784556848761,1.8181371375878943,1.901368993712373,541.0610565638899,330.95268014637975,13.520044016320098,178.62834028923757,-109.26221218776993,-10.643054794077369,362.4327162746523,440.2148923341497,24.163098810397464,0.7517980102662376,0.4598548784982583,0.018785943040757674,0.24820198973376234,-0.15181856598905527,-0.01478840016347966,389.3959054591818,238.18313476147407,9.730232323533146,128.5569224836366,-78.63485558825458,-7.659693685424329,0.04315819379179775,0.10653703263920793,0.6559116329848929,7.0761419667550145,719.6893968531275,0.0,1.0,0.0,620.8156914614995,24.916173290886775,8.530756815835044,853.3045574244024,29.21137719150541,9.484942193235652,999.4577212164696,31.614201258555777,9.998192077216116,3.3952193860167257,3.3952193860167257,2536.3601889456477,2503.5150965715443,69.54988714183389,1.0131195902988894,36.46821430167412,35.99596202745947,5.535275893686067,6.901696073057126,13.741761268236147,0.9910701837308223,6.693613282462787,9.485253205063442,3.595412048047113,40.81892794952184,17.391371893873632,0.14357701659692215,6.74449865385176,9.169400588825969,25.950378197222012,1.302197379283401,2.1907407231644718,25.757888605789283,4.781456075904011,22.921840481931977,2.706684276162445,0.7547828405136907,7.277871709133628,4.6997977084897835,12.298221155296384,4.2870842551790505,1.7408463183316711,0.23332750065448596,4.920836389635829,0.6570979566838955,2.828408648786193,0.4851238034659488,0.002541068546941153,2.1493749366309443E-25,3.5080067057873627E-69,1.104293599754945E-134,0.5617485795410708,9.48475268418345,0.25159712795026606,9.162609346486578,0.12615824431009584,0.0012568321576053349,1.0132057325350583,0.3389197539580978,7.401248865276068,0.04624150318516415,0.019900876435983112,1.5907200981486533,0.15200964281097157,5.445437401805591,0.1143854550017321,0.06450202899851704,0.2945983315975231,0.08700835204781247,2.971235603838303,0.1862797677614516,0.15313966944486623,0.02050828998818595,0.06838461628486645,0.6566821801701128,0.2309175202529331,0.003416767970610671,1.7896953547301038E-5,1.5138223422946472E-27,2.4707178062029236E-71,7.777630115955225E-137,1.8133928921240139,9.484787074925189,0.8452254580378961,11.421234044970939,1.2858556734267532,0.010967165117081798,2.1829700737558566,1.3778118548334546,9.818835492112614,0.19081397226780425,0.1683176315018632,5.436051553103975,0.6549533548030164,8.276670867731264,0.4435561100439657,0.19420877740484163,1.147467029884192,0.4834368122973512,4.5903206867824045,0.7156615212340235,0.4701653858846991,0.06379701490131645,0.4478121178723366,0.6567123074196839,0.7496807958831276,0.035605345944941774,1.8650005458659157E-4,1.5775195969871098E-26,2.574678447407596E-70,8.104890239259273E-136,6.318224919208149,9.485198586545023,3.35925070692938,37.39403155543225,15.497925843721974,0.12802233680052702,6.393592420058763,8.358669450934217,24.330617979602525,1.1857593277537744,1.9535890948306016,23.893598625089467,4.341670879545747,21.591549368728636,2.477241847427541,0.7085641778907558,6.64780573513731,4.224553508945736,11.626494130747886,3.9271889976330154,1.6411507936323424,0.22024501311289926,4.407599503338725,0.6570531373786035,2.665344995880365,0.4322365758752051,0.002264046327089081,1.9150543721752307E-25,3.125570818308852E-69,9.839057161849412E-135,2.6726074739320107,9.484830807260057,1.2791335736098939,14.219697918920712,2.7840208232439236,0.02337552510169932,2.9860106881073367,2.317706557138388,11.88482416284216,0.3232526603512354,0.357702999249154,8.398712542501247,1.1314548188536446,10.438779190144935,0.7288975091838791,0.286572207806303,1.9029414337101067,0.917435928878565,5.786320456729197,1.1704220210065928,0.6898895823643126,0.09355856269065045,0.8897139684913773,0.6567492427465174,1.1091923062485856,0.07733956587665154,4.0510303993543465E-4,3.426583363279857E-26,5.592545633367602E-70,1.7604904628821582E-135,8.08350742747371,9.48548265692305,4.5055264273072835,55.18806287676182,25.35171290642935,0.20893750377677048,8.043792577587482,12.47789157031539,32.49738920146978,1.7782203719216132,3.187179465551973,33.09741910617223,6.58733341803898,28.142972348466245,3.6365305345855785,0.930406216009225,9.840708384787572,6.678382645970161,14.899701747605121,5.743201935139776,2.1128094255635537,0.28182720384750404,7.066570077661893,0.6572858907698294,3.4367551461295287,0.7075074702324295,0.0037059096620948666,3.1346613434390065E-25,5.11609809240303E-69,1.6105084319931753E-134,4.297572936050562,8.994065667762465,2.053458512364177,21.31129130293987,6.881199643179344,0.05711254114117354,4.322663171460274,4.327791792893798,16.197705018732655,0.6097561342434943,0.8722829671535669,14.4082894093715,2.193233008214278,14.954082487692682,1.3143562876158967,0.434728726464859,3.689042475504423,1.9954199754256559,8.79000700781218,2.0949134037546067,1.0286341428713714,0.18436281371347138,2.061778295860512,1.037992310318943,2.2018659242589167,0.1916734117693779,0.001003981368750627,8.492224239423485E-26,1.3860206086539457E-69,4.3630865492358644E-135,17.447335969929505,0.7939589596865311,0.5202829800000011,0.9299503514033896,0.04231834675694288,0.558249813070622,0.6318220616891144,0.6285568847034897,18.761577909616037,23.343104001026163,49.31188561455251,0.8949255271050844,1.818628759463226,15.911094033907329,0.3279723204491303,0.11742838749432215,0.9727691834361172,0.02005150404322016,0.4642697878774282,0.10781347975032754,0.03201927868121766,16.35649474185078,7.125325807590278,24.094608662518002,0.9591537751541759,0.6041025463089734,16.538184205506525,0.5181869179746643,0.28187263915824495,0.9538557902354055,0.029886932325363717,0.5015866719813236,0.26913586008691465,0.1844893042662028,17.338243762639433,13.37759504538682,33.131450880142204,0.9307836853531082,0.9552118363344411,17.410967372391074,0.782927311517498,0.5107459037115589,0.9308367776879237,0.041857383350936285,0.5559249191755663,0.6143863590792452,0.6057244913324894,18.70464058762013,22.92397905815083,48.59086360518266,0.8962551665318855,1.7760357695873008,16.81036987925473,0.6007487100885536,0.35324892834329813,0.9462971233013486,0.033817624494113595,0.5182327762133782,0.36172986997080675,0.2897524090990275,17.76436751768658,16.249267004017344,37.58102763269293,0.919445684952023,1.1697150552832125,17.560676219521035,0.8283383375430162,0.55000462669708,0.9272220514237649,0.043737129653116234,0.5655263033664514,0.6877240347016631,0.7024218866315819,18.939019183761133,24.660224432594415,51.59971065732539,0.8908330771356473,1.9556722246996963,17.471215675964537,0.784775640242529,0.512441446890809,0.9308830362392378,0.04181359467507269,0.5597789822501226,0.6172906603666004,0.6097528614536535,18.768432763097874,23.06611107242357,48.86062055455997,0.8963245543588567,1.7868225040703765 +UMLCN0292,L,n-tridecane,CCCCCCCCCCCCC,Alkanes,,C13H28,NREL (2014),Unknown,PubChem,,90,0,-3.0653999999999995,9.396677159999996,43.825,41.550203999999965,0,0,41,13,28,0,13,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1903.883364999997,2070.1679159999994,2209.5328189999996,2052.4025859999942,1855.6458569999945,1658.889127999995,1462.1323989999955,1265.375669999996,1068.6189409999965,6376.0645668073275,8294.828079366476,10923.940393094388,11129.408080945563,10122.609735990429,9115.811391035284,8109.013046080136,7102.214701125013,6095.4163561698915,286.1437000000001,289.779888,553.0411640000005,752.1763600000015,689.291460000001,626.4065600000006,563.52166,500.63675999999964,437.75185999999974,48.70486133577205,64.64604068000001,93.91353488243287,102.2319093121477,93.21038045275176,84.18885159335582,75.16732273395995,66.14579387456408,57.1242650151681,6826.020885848973,5808.963609041202,12194.465387047234,17927.298660954337,16448.343505915756,14969.38835087716,13490.433195838563,12011.478040799966,10532.522885761371,60.75,73.5,120.25,147.0,134.75,122.5,110.25,98.0,85.75,46.43617963414627,51.75419789999999,28.327343833333327,19.003727648148097,18.74389754545449,18.432101422222168,18.051017271604884,17.57466208333328,16.962205412698356,155.51376992212994,207.3707019841619,140.05051786018447,103.05007482357003,102.24858319182252,101.28679323372538,100.11127217382884,98.6418708489585,96.75264057412527,6.9791146341463435,7.2444972000000005,7.09027133333334,6.9645959259259405,6.96254000000001,6.960072888888895,6.957057530864198,6.953288333333329,6.948442222222218,1.1879234472139524,1.6161510170000004,1.2040196779799086,0.9465917528902565,0.9415189944722401,0.9354316843706202,0.9279916386908635,0.9186915815911677,0.9067343653201285,166.48831428899933,145.22409022603006,156.3392998339389,165.99350611994757,166.14488389813894,166.32653723196844,166.54855797331558,166.82608389999953,167.18290294859318,1.4817073170731707,1.8375,1.5416666666666667,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,0.05825356566438013,-0.004413884623719816,-0.027398480897318698,-9.91450377951274E-5,-2.8176920550094468E-6,-2.447369512018245E-8,7.699298165166069E-11,3.6100650873619605E-9,9.633612458475639E-8,1074.8299335609747,-56.463861425343936,-482.7516111403955,-8.354346843546189,-8.642427769185254,-8.930508694824546,-9.218589620463838,-9.506670546103244,-9.794751471742764,1998.6921583384633,-104.996961413653,-897.697235147597,-15.535264698958123,-16.070963481680543,-16.606662264403077,-17.142361047125952,-17.67805982984894,-18.21375861257193,0.2105518048780482,-0.011060882807848206,-0.09456772635335746,-0.0016365591909581092,-0.0016929922665084337,-0.0017494253420587444,-0.0018058584176090689,-0.0018622914931593934,-0.001918724568709704,8.935083894756966,-0.4693852702686331,-4.013124319656641,-0.06944986141730308,-0.07184468422479612,-0.07423950703228915,-0.0766343298397813,-0.07902915264727478,-0.0814239754547687,48.5355175267178,-2.5497082378019957,-21.79935499742686,-0.3772527494705218,-0.390261464969502,-0.40327018046848573,-0.4162788959674659,-0.4292876114664461,-0.4422963269654263,3.378048780487807,-0.6493158834027355,-1.2740928019036284,0.028554431885783105,0.026174895895301198,0.023795359904819513,0.021415823914337606,0.0190362879238557,0.016656751933373792,0.0014208186747409787,-1.103471155929954E-4,-3.5126257560665E-4,-9.180096092141427E-7,-2.846153590918633E-8,-2.71929945779805E-10,9.505306376748232E-13,5.013979288002723E-11,1.5291448346786729E-9,26.215364233194506,-1.4115965356335984,-6.18912321974866,-0.07735506336616842,-0.08729725019379045,-0.0992278743869394,-0.11380974840078813,-0.13203709091810062,-0.15547224558321848,48.7485892277674,-2.624924035341325,-11.508938912148679,-0.1438450435088715,-0.16233296446141962,-0.18451846960447862,-0.21163408700155498,-0.24552860874790194,-0.2891072795646338,0.005135409875074346,-2.7652207019620515E-4,-0.0012124067481199675,-1.5153325842204715E-5,-1.7100931984933674E-5,-1.943805935620827E-5,-2.229454836554406E-5,-2.5865159627213798E-5,-3.0455945535074667E-5,0.21792887548187723,-0.011734631756715828,-0.05145031179046976,-6.430542723824359E-4,-7.257038810585466E-4,-8.248834114698794E-4,-9.461028375281642E-4,-0.0010976271201010386,-0.0012924440548375985,1.183793110407751,-0.0637427059450499,-0.2794789102234213,-0.0034930810136159425,-0.003942034999691939,-0.004480779782983175,-0.005139245629227974,-0.005962327937033974,-0.00702057661849883,0.08239143367043432,-0.016232897085068386,-0.01633452310132857,2.64392887831325E-4,2.6439288783132523E-4,2.6439288783132795E-4,2.643928878313285E-4,2.6439288783132914E-4,2.6439288783133006E-4,-0.07766446032468721,-0.24722547771318296,-6.46113135711353E-4,-2.0031786191418823E-5,-1.9138961967077115E-7,6.690020722370566E-10,3.528936786333268E-8,1.076242072168317E-6,-0.05384615384615568,-0.23608763031840113,-0.0029507529507531933,-0.003330003330003427,-0.0037851037851038037,-0.004341337674670931,-0.0050366300366299,-0.005930577359148643,-0.05384615384615392,-0.23608763031839985,-0.002950752950752814,-0.0033300033300031192,-0.003785103785103511,-0.0043413376746707436,-0.005036630036629816,-0.005930577359148623,-0.05384615384613325,-0.23608763031839117,-0.0029507529507535827,-0.003330003330004132,-0.0037851037851047604,-0.0043413376746722285,-0.0050366300366315635,-0.005930577359150666,-0.053846153846150914,-0.23608763031839863,-0.0029507529507530163,-0.003330003330003396,-0.0037851037851038515,-0.004341337674671025,-0.005036630036630076,-0.005930577359148889,-0.05384615384616833,-0.23608763031840618,-0.0029507529507523233,-0.0033300033300025936,-0.0037851037851029516,-0.0043413376746700184,-0.005036630036628852,-0.005930577359147352,-0.19702166064981905,-0.1982551143200961,0.0032089851584437335,0.003208985158443736,0.0032089851584437687,0.0032089851584437756,0.0032089851584437834,0.0032089851584437947,1.6012094816858888,1.424141284996656,0.9416458303335244,0.9395968540719198,0.9378301656702325,0.9356947502371584,0.9330256904581996,0.9295930700335954,1.5769230769230793,1.444068751761062,0.9595034595034612,0.9557109557109573,0.9511599511599528,0.9455976122642804,0.9386446886446902,0.9297052154195027,1.576923076923077,1.4440687517610595,0.9595034595034594,0.9557109557109558,0.9511599511599512,0.9455976122642789,0.9386446886446886,0.9297052154195012,1.5769230769230789,1.444068751761062,0.9595034595034608,0.9557109557109569,0.9511599511599522,0.94559761226428,0.9386446886446896,0.9297052154195022,1.576923076923079,1.4440687517610595,0.9595034595034597,0.9557109557109562,0.9511599511599519,0.9455976122642799,0.9386446886446899,0.9297052154195025,1.5769230769230804,1.4440687517610618,0.959503459503461,0.9557109557109573,0.9511599511599529,0.9455976122642807,0.9386446886446908,0.9297052154195032,1.776173285198555,1.214477459964824,0.8223024468511828,0.8372534004302953,0.8551945447252302,0.877122609974595,0.9045326915363012,0.9397742249727805,116.62782523560162,58.31391261780084,92.72762715260265,116.62782523560168,8.97137117196936,58.31391261780084,4.973799150320701E-14,4.996003610813204E-16,3.843079700625542E-17,-45.80254012477108,2000042.4827746218,153849.421751894,18.861282673591717,116.62782523560162,58.31391261780084,92.72762715260265,116.62782523560168,8.97137117196936,58.31391261780084,4.973799150320701E-14,4.996003610813204E-16,3.843079700625542E-17,-45.80254012477108,2000042.4827746218,153849.421751894,18.861282673591717,116.62782523560162,58.31391261780084,92.72762715260265,116.62782523560168,8.97137117196936,58.31391261780084,4.973799150320701E-14,4.996003610813204E-16,3.843079700625542E-17,-45.80254012477108,2000042.4827746218,153849.421751894,18.861282673591717,116.62782523560162,58.31391261780084,92.72762715260265,116.62782523560168,8.97137117196936,58.31391261780084,4.973799150320701E-14,4.996003610813204E-16,3.843079700625542E-17,-45.80254012477108,2000042.4827746218,153849.421751894,18.861282673591717,116.62782523560162,58.31391261780084,92.72762715260265,116.62782523560168,8.97137117196936,58.31391261780084,4.973799150320701E-14,4.996003610813204E-16,3.843079700625542E-17,-45.80254012477108,2000042.4827746218,153849.421751894,18.861282673591717,116.62782523560162,58.31391261780084,92.72762715260265,116.62782523560168,8.97137117196936,58.31391261780084,4.973799150320701E-14,4.996003610813204E-16,3.843079700625542E-17,-45.80254012477108,2000042.4827746218,153849.421751894,18.861282673591717,126.52773834087421,63.193356349924294,101.0351384464896,126.40840895231406,9.723723765562621,63.193356349924294,-0.14102564102561388,5.551115123125783E-16,4.2700885562506023E-17,-45.6655714544159,2000042.2339421057,153849.4026109312,18.861282511854004,0,11.889999999999995,12.110219518117955,-0.17050518540683307,0.04993492564433056,5.116742618583416,7.563559586193441,12.0,40.0,40.0,40.0,12.0,0.0,0.0,0.0,0.0,0.0,30.609795999999992,3.5346950071541294,3.4215067278352778,3.2404342384296307,3.002657470892632,2.7234122437197232,2.421386886003532,2.1175235529539242,1.8327893668646489,1.946138894572097,1.8684747113146127,1.7445342890900153,1.5834447961863882,1.398725650975301,1.2071495361084916,1.025715220871915,0.8675896329795012,3.562967093995667,3.4522132543406823,3.2752134934448023,3.043184898903442,2.7714302937688218,2.478707924326384,2.185922364442759,1.9136760219820412,1.8868365378002774,1.8042453711118924,1.6727604380244308,1.5021274139861405,1.306339283357815,1.1026144370402486,0.9086557774614357,0.7386639147065447,3.68628453496022,3.586328950229996,3.4271850731744604,3.2199469884696854,2.979837753926134,2.7254312457942476,2.476807307537379,2.2522665115123974,1.7107155070371958,1.6129087563996782,1.4572667696932884,1.2547948059219853,1.020626549151776,0.7732169511762234,0.5323897244272949,0.3159234128247774,3.5837402397337863,3.4747893134738894,3.300796438037741,3.0729926577731925,2.806711215651595,2.5207346034616167,2.235899347509762,1.9724890824637937,1.848933903913473,1.7631312886426518,1.626650565260713,1.4495904567601636,1.2462381825662345,1.0341031421020421,0.8313520275446213,0.6528977394119898,3.7457816129590125,3.651051185158204,3.500387276306743,3.3046286072903683,3.0787431746960467,2.840981219286792,2.61076892269778,2.4051325478027765,1.6551888824961432,1.5524969158163529,1.3888664626304659,1.1754724100799552,0.9276175582278462,0.663992669381813,0.4049692523091299,0.1694973728352631,3.594758741516638,3.511935601559656,3.3659886608480005,3.159207295089881,2.904952602774717,2.6247966965953196,2.344212626330743,2.087235038911378,1.8162237028883261,1.710210436483722,1.5466949415727265,1.3432800384452441,1.1200730933190615,0.8958309700539226,0.6855201069195053,0.5000107944740378,0,0,0,0,0,2,11,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.778174593052025,6.414213562373096,4.181980515339465,2.707106781186548,1.7374368670764584,1.1035533905932737,0.6919417382415922,0.42677669529663687,0.7521672763886174,0.5345177968644247,0.3801800468490422,0.2707106781186548,0.19304854078627315,0.13794417382415922,0.09884881974879889,0.07112944921610614,9.778174593052025,6.414213562373096,4.181980515339465,2.707106781186548,1.7374368670764584,1.1035533905932737,0.6919417382415922,0.42677669529663687,0.7521672763886174,0.5345177968644247,0.3801800468490422,0.2707106781186548,0.19304854078627315,0.13794417382415922,0.09884881974879889,0.07112944921610614,20.58558925300222,39.42971595047344,37.15686274509803,37.64,24.179762874251523,315.6528766467066,0.5020875427561516,0.9617003890359375,0.906264945002391,0.9180487804878049,0.5897503140061348,7.698850649919673,5.317300000000005,62.13500000000006,58.31391261780084,92.72762715260265,116.62782523560168,8.97137117196936,58.31391261780084,4.996003610813204E-16,3.843079700625542E-17,-45.80254012477108,2000042.4827746218,153849.421751894,18.861282673591717,216,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,11.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.5649766384209025,0.0,15.935023361579095,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2824883192104513,0.0,1.3715277777777777,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2824883192104513,0.0,1.4795918367346939,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.5,1.5769230769230769,0.2,2.2824883192104513,0.2,1.3715277777777777,9.652751168078954,0.1284722222222222,0.28248831921045126,1.129953276841805,0.1284722222222222,0.28248831921045126,1.129953276841805,6.5,0.5,0.0,0.0,0.42683,0.7,0.42683,0.42683,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.15385,0.0,0.0,6.0,0.46154,6.0,0.46154,0.0,0.0,-6.0,-0.46154,0.0,0.0,15.46341,1.18949,15.46341,0.0,0.0,6.41421,0.4934,6.41421,0.0,0.0,-2.1E-4,-2.0E-5,-2.1E-4,-2.0E-5,0.0,12.0,0,0,0,0,0,0,1.0,0.9011701959974223,1.0975596723589818,1.7930008917564182,2.230237139137796,2.341901630558478,2.3020120690121435,36.947978035894316,44.99994656671825,73.51303656201314,91.43972270464964,96.01796685289759,94.38249482949789,0.16820559001959007,0.2048621593244286,0.33466793979991116,0.41627913965471247,0.43712158622815306,0.4296761033822655,4.4563818086206615,4.2599923322591025,3.5645511128616656,3.1273148654802876,3.015650374059606,3.0555399356059403,0.16933152420137976,0.20623346516338292,0.33690813926608804,0.4190656279780117,0.4400475896711723,0.43255226826976984,6.683794723801698,9.040468440140412,11.758663018192165,12.970874969051877,13.226061903941767,12.747387165385753,51.50405783451427,46.68222344049514,44.06957826146544,41.8290094163434,41.949415088804734,43.28592444691287,13.0,12.0,12.0,13,0,13,2.8899999999999997,1.940300000000002,0.08333333333333334,4.481346495405641,0.0,0.0,17.158645119421905,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.08499999999999999,0.064,0.12700000000000003,0.04000000000000001,6.261,11.0,10.0,9.0,8.0,7.0,6.0,5.0,4.0,3.0,88.0,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,4.48863636973214,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.8333333333333334,12.0,1.0,1,6.0,12.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.041666666666666664,0.02020202020202021,0.0125,0.00888888888888889,0.006944444444444444,0.005830903790087464,0.005208333333333333,0.00493827160493827,0.005000000000000001,0.005509641873278237,0.12363361524810197,58.31391261780084,92.72762715260265,116.62782523560168,8.97137117196936,58.31391261780084,4.996003610813204E-16,3.843079700625542E-17,-45.80254012477108,2000042.4827746218,153849.421751894,18.861282673591717,0.0,233.40425883706678,4.700439718141093,3.8501476017100584,4.48863636973214,5.14166355650266,5.796057750765372,6.456769655572163,7.117205503164344,7.781138509845015,8.444407421690585,9.109967397829395,83.18599376681173,3.2188758248682006,0.0,4.23410650459726,0.0,5.37989735354046,0.0,6.586171654854675,0.0,7.826044013518965,8.174702882469461,184.219100896,4.493148802341463,24.828510900564183,1.9098854538895524,0.0,0.0,0.0,364.0,10.0,7.737,46.0,1.2359999999999998,2.134690568185914,2.8595501915019166,3.60055331773262,4.937498013853667,5.954465365144313,7.274639411501655,8.379746611881965,9.681674953566816,10.822718948837387,75.34690914569995,67.79387141467998,66.75318972814709,87.97168167925156,109.03317624543435,128.68208663090869,146.93880907861725,162.5151170505075,174.52526473715537,180.37657208871184,282.8961702235399,320.0172344494112,326.2880570905297,436.737839905392,553.9852703201008,666.4131836186288,777.0398412312529,878.8092907631179,970.9682762782535,1043.5823459994342,8.990608851600005,15.183793390628475,19.971784634227582,25.265097905427865,34.49714400386454,41.62424838933043,50.7373085196393,58.42012125040213,67.3695756322228,75.21557357129727,2.141810781920999,2.6991142491157336,2.8880730616845107,3.8393226912840475,4.954870680267491,5.984525908048498,7.0610652136415695,8.04353170606756,9.002362052176299,9.808752731218199,177.23011822064137,330.2576191912271,470.8552597360521,583.5118590672722,811.6162395324191,976.8390190554203,1202.185465894121,1386.418316278135,1611.3475529588206,1807.995499508187,2.3372624999999996,3.3699354739584226,3.993399652324674,5.205409323687224,6.9377633718224185,8.422766121443134,10.160549960402543,11.729438943400678,13.457990184967148,15.05938555283094,0.44399024999999986,0.5708109041076925,0.6175199558271758,0.8191490946526302,1.0609036118992243,1.2819170888474314,1.5159439273648574,1.7287937153358457,1.939342892451489,2.1177609250586538,602.7815712344782,432.3561301736686,15.165237620728043,189.66681695147747,-136.04200080562768,-11.327706655326628,413.1147542830007,568.3981309792963,26.492944276054672,0.7606571989052106,0.5455953177763445,0.019137192840335954,0.23934280109478911,-0.1716730109288885,-0.014294567096360185,477.6732845529602,342.61991847844104,12.017668109002958,150.30116338555905,-107.80626426401216,-8.976622880856912,0.03680452628116621,0.09085285256845915,0.5593495652476324,6.0344057548162215,792.4483881859559,0.0,1.0,0.0,744.9788297537993,27.29430031625283,9.065281831960075,1016.2158400438527,31.878140473431834,10.053763233611221,1226.905527282434,35.027211240440394,10.705419932350187,3.798190388866133,3.798190388866133,4144.81825095748,4105.893985405768,82.28752649045464,1.0094800951242449,50.36994581965323,49.896918287877476,6.177704173759406,8.108225633110866,16.210047073847118,0.9992101610556493,7.809215496207026,11.382287820483372,4.188077060967528,50.76468347774915,21.341071191239013,0.14360829773163483,8.333124803140375,9.44545553443713,34.67917527657308,1.3638208829157357,2.1915528781319638,34.85634099608285,5.002533245769732,34.851913705431514,2.7068206375595127,0.7588638797848415,13.374661820299497,4.699819684177513,25.920731193429088,4.287085487220853,1.753018195281952,5.463670670158785,5.278308531793014,12.374130259965478,5.7953434342053045,2.6734292161328304,0.056288164138106424,3.600274093918311,0.5478884550853566,3.3506037320236994,0.655373342798356,11.381703088896696,0.29583099216607944,11.189394544937658,0.1542909325785609,0.0012878573073653518,1.258323866782652,0.3408647424836936,9.559153173303136,0.04667557722981265,0.02071302850747947,2.215446538064543,0.1535667085557563,7.744709329648029,0.11438641596183956,0.06858000549458265,0.4985549347458012,0.08700851060184148,5.193150633252434,0.1862797764623537,0.16518434875120402,0.09397127326090879,0.07090233371696825,2.6444123615521944,0.25181388454358816,0.20000085368568205,0.005023356967110569,0.05780245225803514,0.5457574133140141,0.27929417617498137,2.11562504081179,11.381743264255444,0.9916447715836441,13.98364395315225,1.5765496088466338,0.010998207372240816,2.702296514828034,1.3980745520482045,12.808050515205684,0.195336929237754,0.16912978416449628,7.51916290455917,0.6711791693532739,12.051160756742227,0.4435661196257602,0.19828737893535747,2.0026820862963355,0.4834384287185369,8.56987124311906,0.7156616117191844,0.482235962593047,0.5399763621047429,0.4740485617872457,4.277982740651713,0.9674370229365217,0.6167355892024458,0.015415032474702306,0.34759829749988475,0.5459003540931872,0.9028468051271239,7.3712624057432805,11.382224012081958,3.914888025210224,46.47264004809729,19.017253452682045,0.12805358983032605,7.899959244588043,8.604629926853427,32.47674679468461,1.2406647976911744,1.9544012496208036,32.37732457201476,4.538646657851542,32.75846181515908,2.477363343359649,0.7126450296103372,12.188704940701129,4.224573089304361,24.349608655496635,3.9271900953762144,1.6533148601619718,4.904970045020448,4.726100747565029,11.653790816745623,5.308830474355605,2.490825020353278,0.053124098438888864,3.2301199899784274,0.5476546765209974,3.161389182956681,3.1180420529211195,11.381794353805468,1.4985982495380095,17.470711061475004,3.4146726556514317,0.0234065895349278,3.693581538559686,2.3617180940283093,15.596122221706464,0.3330769927498776,0.35851515231758324,11.56350901588644,1.1666994548867884,15.371639324309404,0.7289192499664058,0.2906512384459054,3.3690048256626284,0.9174394354983715,11.14151982512276,1.1704222174946997,0.7019779565276179,1.0391626391741349,0.9467030164590015,5.504033967704535,1.5821879294273575,0.9289829140314605,0.022570137854709512,0.6751892472901773,0.5460851942301655,1.33189590707926,9.430758665386435,11.382555879287544,5.239209099980597,68.7786070802719,31.110951886593178,0.20896890308885901,9.937000160597663,12.880489446384349,43.58837856568577,1.8680922821829158,3.1879916211758905,44.5808947022218,6.909753692571098,43.09576215268841,3.6367294030567607,0.9344879497569575,18.217274425247084,6.678414693692961,32.08101040509559,5.743203731880533,2.125010247636733,7.793402950821886,7.587909595601197,15.18280262384026,7.76375069345039,3.384935957665171,0.06803242268386875,5.144833473702299,0.5488713413894478,4.052532534947778,5.047087944991248,10.870742831299362,2.4331517595561305,26.68951353668879,8.592963337858581,0.05815829067819842,5.394727282950303,4.515915183918239,21.563474947556863,0.6454016886686883,0.8885593035108166,19.75785188602569,2.3212142114915055,22.211734906837886,1.3378290399550257,0.446165889067478,6.620008862265745,2.0309812553828417,16.78486731083088,2.1322390165282172,1.057932716064831,2.3844603508023634,2.210835822813433,8.72072738483593,2.8823865227507137,1.4994835105065336,0.04516742117835196,1.5913409041134847,0.8787270706958559,2.6849021061156337,23.97491180051739,0.8019325067861458,0.5247143487804878,0.9475665956552591,0.03169498439548952,0.5576241606882787,0.6501830608954764,0.6341334925046769,25.301558656084023,32.22702684570797,67.61688058494333,0.9213498934828886,1.841940714088432,22.170078448373985,0.32910124069987345,0.11762080310684653,0.980248221053143,0.014551184674138743,0.47682828121314996,0.10950124409940004,0.03186420528313322,22.616800492180705,9.942571908047523,33.41755734193889,0.9703723315797145,0.6181937305956833,22.90382492380306,0.5213285588350622,0.28312276147502924,0.966068755398873,0.02198930674955797,0.5089130374215086,0.27477868924602866,0.18462239550304457,23.70827624411315,18.572612181317734,45.661492553894185,0.9491031330983095,0.9683141221705819,23.931898207330082,0.7906637812268006,0.515012313885143,0.9482645962934082,0.03132883421170531,0.5556250790835824,0.6320387484608695,0.6108998756061136,25.237574302442027,31.65450898343806,66.63719013146242,0.9223968944401124,1.7985637031505655,23.22358093757078,0.605098420827554,0.35524610141696883,0.9602899651737573,0.025020686647128598,0.5232219061238448,0.37017923479002535,0.2906654762625026,24.183925459815303,22.517597595270974,51.6936374217889,0.9404349477606361,1.1840666171763727,24.10905048106183,0.8370742344573676,0.5549703228348043,0.9454123615006133,0.03282503097213654,0.5638813864425388,0.7084153500678498,0.7093724700803166,25.501095038354002,34.025423861777846,70.72641104441828,0.9181185422509198,1.9816692065907051,24.00798455035958,0.7927262236459267,0.5168605494243171,0.9482736019051595,0.0313113060300657,0.5591636770595836,0.6353403886767209,0.6152924418394917,25.317571323429828,31.850267926722367,67.00460462720056,0.9224104028577395,1.8097965075757965 +UMLCN0293,L,"2,2,4-trimethylpentane",CC(C)CC(C)(C)C,Alkanes,,C8H18,NREL (2014),IQT,PubChem,,18,0,2.4502999999999995,6.0039700899999975,38.1492,26.082273999999977,0,0,26,8,18,0,8,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1172.4021199999981,1227.7764309999995,1725.2541699999977,1334.8035169999982,1150.5725339999938,444.99974399999996,54.867456000000004,0.0,0.0,3947.6426137513863,5029.877406914641,7256.714488539584,8103.08528272001,6657.887637606692,4410.271889217043,1678.5221992702322,0.0,0.0,181.25648000000004,180.9009880000001,339.48848799999996,447.3318920000004,616.7790960000002,316.7009280000001,362.79705599999994,0.0,0.0,30.314232287281975,39.56609758000001,59.50078129758405,73.178618738792,66.12164930003412,44.089111303641054,24.009096861845986,0.0,0.0,4342.872585156482,3643.7663514622013,7595.322042971787,9769.440382288996,15721.537028972636,7176.6705858826435,9985.553209309446,0.0,0.0,43.59027777777778,51.041666666666664,78.58333333333333,112.75,115.5,81.0,54.0,0.0,0.0,45.09238923076916,49.11105723999998,35.94279520833329,21.187357412698386,12.784139266666598,9.888883199999999,1.016064,0.0,0.0,151.83240822120717,201.19509627658564,151.18155184457467,128.62040131301603,73.97652930674101,98.00604198260096,31.083744430930228,0.0,0.0,6.971403076923078,7.236039520000004,7.0726768333333325,7.100506222222228,6.853101066666669,7.037798400000002,6.718463999999999,0.0,0.0,1.1659320110493068,1.5826439032000004,1.2395996103663343,1.1615653768062222,0.7346849922226013,0.9797580289698012,0.44461290484899973,0.0,0.0,167.033560967557,145.75065405848807,158.23587589524556,155.0704822585555,174.68374476636262,159.48156857516986,184.917652024249,0.0,0.0,1.6765491452991452,2.0416666666666665,1.6371527777777777,1.7896825396825398,1.2833333333333334,1.8,1.0,0.0,0.0,0.03487442343511994,-0.008917483944401842,0.015414224046298443,-0.049197904560579125,0.0411461745176879,-0.045353304500128325,0.029471082723562823,0.0,0.0,670.519434461538,-58.02572028994015,196.28453530177563,-907.6368840414185,640.4320239408268,-825.2546885680464,618.9410164260336,0.0,0.0,1246.859520586465,-107.9013046661365,364.99947504347324,-1687.7895433579567,1190.9106959447643,-1534.5963330294917,1150.947249772121,0.0,0.0,0.13135015384615364,-0.011366840236684102,0.038450792899409954,-0.17779983431952345,0.12545623668638686,-0.16166172781064952,0.1212462958579834,0.0,0.0,5.57404219300985,-0.4823690359335298,1.6317174795776792,-7.545204549725919,5.32392491511836,-6.860359622165958,5.145269716624447,0.0,0.0,30.27828565910215,-2.6202362589608956,8.863515246360992,-40.98567086547284,28.919644635937537,-37.26558234966424,27.949186762248427,0.0,0.0,4.000267094017092,-2.6164427186061774,3.5956607495069015,-6.340390779092698,6.364460059171587,-5.9595968934911205,2.9561760355029536,0.0,0.0,0.0013413239782738438,-3.5669935777607367E-4,3.211296676312176E-4,-7.809191200091925E-4,4.571797168631989E-4,-0.0010078512111139628,5.457607911770893E-4,0.0,0.0,25.789209017751464,-2.321028811597606,4.089261152120326,-14.406934667324103,7.115911377120297,-18.33899307928992,11.461870674556177,0.0,0.0,47.95613540717173,-4.31605218664546,7.6041557300723595,-26.79031021203106,13.232341066052935,-34.102140733988705,21.313837958742983,0.0,0.0,0.005051928994082832,-4.546736094673641E-4,8.01058185404374E-4,-0.002822219592373388,0.0013939581854042985,-0.003592482840236656,0.0022453017751478408,0.0,0.0,0.21438623819268654,-0.01929476143734119,0.033994114157868315,-0.11976515158295109,0.05915472127909289,-0.15245243604813238,0.09528277253008234,0.0,0.0,1.1645494484270058,-0.10480945035843582,0.18465656763252067,-0.6505662042138546,0.3213293848437504,-0.8281240522147609,0.5175775326342301,0.0,0.0,0.15385642669296506,-0.1046577087442471,0.07490959894806044,-0.10064112347766188,0.07071622287968429,-0.13243548652202491,0.05474400065746211,0.0,0.0,-0.26593079938458397,0.23941245577707548,-0.5822002235538658,0.3408421263381466,-0.7513853680681765,0.40688215525635457,0.0,0.0,-0.08999999999999901,0.1585648148148153,-0.5586419753086413,0.2759259259259254,-0.7111111111111108,0.4444444444444433,0.0,0.0,-0.0900000000000001,0.1585648148148146,-0.5586419753086407,0.27592592592592585,-0.7111111111111095,0.4444444444444443,0.0,0.0,-0.08999999999998202,0.15856481481482196,-0.5586419753086329,0.2759259259259183,-0.7111111111111063,0.44444444444442766,0.0,0.0,-0.08999999999999722,0.1585648148148157,-0.5586419753086403,0.27592592592592474,-0.7111111111111099,0.4444444444444418,0.0,0.0,-0.09000000000000455,0.15856481481481288,-0.5586419753086442,0.2759259259259281,-0.7111111111111121,0.444444444444449,0.0,0.0,-0.6802296855177936,0.4868798824864793,-0.6541236244781681,0.4596247579622082,-0.8607731855511785,0.35581224544301226,0.0,0.0,1.8011679031292582,0.788153350087439,1.8566452200060224,0.36028924341940355,2.060966310187509,2.3646129775977396E-5,0.0,0.0,1.625000000000002,1.0344328703703716,1.7912257495590855,0.45138888888888945,1.8055555555555582,0.0,0.0,0.0,1.6249999999999982,1.0344328703703691,1.7912257495590804,0.45138888888888845,1.8055555555555531,0.0,0.0,0.0,1.6250000000000002,1.0344328703703702,1.7912257495590838,0.4513888888888889,1.8055555555555554,0.0,0.0,0.0,1.6249999999999991,1.0344328703703698,1.7912257495590798,0.4513888888888887,1.805555555555554,0.0,0.0,0.0,1.6249999999999991,1.03443287037037,1.7912257495590804,0.4513888888888886,1.8055555555555536,0.0,0.0,0.0,2.284569673499367,0.33092408359484565,1.997427801994806,0.1518995793550111,2.4998330773853255,0.0,0.0,0.0,34.06763490751516,17.033817453757575,25.438068607981563,34.067634907515156,4.2584543634393945,17.03381756689279,-1.4210854715202004E-14,0.07469592539889064,0.00933699067486133,-2.0754637876245225,34.55960745133435,4.319950931416794,2.83414846832241,34.06763490751516,17.033817453757575,25.438068607981563,34.067634907515156,4.2584543634393945,17.03381756689279,-1.4210854715202004E-14,0.07469592539889064,0.00933699067486133,-2.0754637876245225,34.55960745133435,4.319950931416794,2.83414846832241,34.06763490751516,17.033817453757575,25.438068607981563,34.067634907515156,4.2584543634393945,17.03381756689279,-1.4210854715202004E-14,0.07469592539889064,0.00933699067486133,-2.0754637876245225,34.55960745133435,4.319950931416794,2.83414846832241,34.06763490751516,17.033817453757575,25.438068607981563,34.067634907515156,4.2584543634393945,17.03381756689279,-1.4210854715202004E-14,0.07469592539889064,0.00933699067486133,-2.0754637876245225,34.55960745133435,4.319950931416794,2.83414846832241,34.06763490751516,17.033817453757575,25.438068607981563,34.067634907515156,4.2584543634393945,17.03381756689279,-1.4210854715202004E-14,0.07469592539889064,0.00933699067486133,-2.0754637876245225,34.55960745133435,4.319950931416794,2.83414846832241,34.06763490751516,17.033817453757575,25.438068607981563,34.067634907515156,4.2584543634393945,17.03381756689279,-1.4210854715202004E-14,0.07469592539889064,0.00933699067486133,-2.0754637876245225,34.55960745133435,4.319950931416794,2.83414846832241,47.51137914806986,23.60404026847938,36.42074142586523,47.283905189736544,5.910488148717068,23.604040268602514,-0.3032986111110958,0.06967645594662092,0.008709556993327615,-2.131114247661342,29.679963501962657,3.709995437745332,2.712377750864148,0,11.889999999999999,12.110114161591722,-0.15933971178617345,0.06192297230148533,5.911937500000001,8.904306430972863,7.0,25.0,25.0,25.0,7.0,0.0,0.0,0.0,0.0,0.0,19.677725999999996,3.592008556366148,3.1797052116420166,2.3335527931030478,2.3335527931030473,2.333552793103046,2.167113910632676,1.0488806779135764,0.46270766667390206,1.9541370360585015,1.7002107889126912,1.249629722584357,1.2496297225843556,1.2496297225843553,1.0683984483482345,0.39197746783412685,0.08392307051869048,3.6154392977349943,3.2148217483891735,2.405454587841291,2.4054545878412896,2.405454587841288,2.235900366412896,1.1625350515602124,0.568769731310276,1.8993109897254072,1.6251721062050732,1.1345406859483513,1.1345406859483504,1.1345406859483502,0.9531629966959888,0.23616449520932997,0.2709139018929365,3.7202289041703382,3.3701032166030167,2.7042369872335206,2.7042369872335206,2.704236987233519,2.5262662512043392,1.6214705235470903,0.9663538783054336,1.7414848759461998,1.4011308111611274,0.7603185604308988,0.7603185604308983,0.7603185604308963,0.581431987456459,0.2952986079440545,0.943918426802621,3.6327964009960603,3.2407632222379834,2.457539916041695,2.4575399160416938,2.457539916041692,2.2860222518759574,1.2442383858537864,0.6430433405922424,1.8646927521756669,1.5770401945144261,1.0582626705327127,1.0582626705327125,1.0582626705327116,0.876980677731029,0.13104099509897593,0.39927724550898064,3.7722739653970505,3.445738001244054,2.83898208514965,2.83898208514965,2.8389820851496483,2.6590905507553377,1.8198200276053438,1.207644822962089,1.6934094543033127,1.3307031005111938,0.6313372621875635,0.6313372621875615,0.6313372621875608,0.45483492718556556,0.4881606298444718,1.1244435990021806,3.5922313292148673,3.2768639638087267,2.6072545986923386,2.6072545986923386,2.607254598692335,2.3273741267382384,1.2964858790155487,0.6251270800178081,1.8935130398242705,1.5225490925368947,0.9031125868580205,0.9031125868580197,0.9031125868580192,0.800458082578614,0.03765683841161504,0.5680473372781061,0,0,0,0,0,5,1,1,1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9689084622436843,0.35355339059327373,0.0,0.0,1.9689084622436843,0.35355339059327373,0.0,0.0,0.8164965809277261,2.041241452319315,1.0206207261596576,0.8164965809277261,2.041241452319315,1.0206207261596576,6.784457050376173,3.4165022194363885,4.158631167129105,1.0206207261596576,1.2247448713915892,0.0,0.0,0.0,0.8480571312970216,0.4880717456337698,0.4158631167129105,0.2041241452319315,0.20412414523193154,0.0,0.0,0.0,6.784457050376173,3.4165022194363885,4.158631167129105,1.0206207261596576,1.2247448713915892,0.0,0.0,0.0,0.8480571312970216,0.4880717456337698,0.4158631167129105,0.2041241452319315,0.20412414523193154,0.0,0.0,0.0,12.876450234072873,24.99053168244719,23.52941176470589,23.84,15.18699041916167,200.51160119760482,0.49524808592587977,0.9611742954787381,0.9049773755656112,0.916923076923077,0.5841150161216027,7.711984661446339,3.0786000000000016,38.91,17.033817453757575,25.438068607981563,34.067634907515156,4.2584543634393945,17.03381756689279,0.07469592539889064,0.00933699067486133,-2.0754637876245225,34.55960745133435,4.319950931416794,2.83414846832241,45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.39236111111111,0.0,1.3263888888888888,0.0,0.0,0.0,0.8425925925925923,0.0,0.0,0.0,0.0,0.0,0.5219907407407407,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2690972222222223,0.0,1.3263888888888888,0.0,0.0,0.0,0.8425925925925923,0.0,0.0,0.0,0.0,0.0,0.5219907407407407,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2847222222222223,0.0,1.3263888888888888,0.0,0.0,0.0,0.8425925925925923,0.0,0.0,0.0,0.0,0.0,0.5219907407407407,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.083333333333332,1.7604166666666665,0.2,2.2847222222222223,-0.0,0.5219907407407407,6.046809027777778,0.7280092592592593,0.2847222222222222,2.7847222222222223,0.7280092592592593,0.2847222222222222,2.7847222222222223,4.0,0.5,0.0,0.0,0.42308,0.7,0.42308,0.42308,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.625,0.125,0.125,3.5,0.4375,3.5,0.4375,0.0,0.0,-3.5,-0.4375,0.0,0.0,9.73928,1.21741,9.73928,0.0,0.0,3.41649,0.42706,3.41649,0.0,0.0,0.49751,0.06219,0.49751,0.06219,0.0,7.0,0,0,0,0,0,0,1.0,0.8904916402194915,1.3670439296642294,2.1097379321298906,2.6699017366229683,2.489115593617542,1.8428940985189124,23.15278264570678,35.54314217126996,54.85318623537715,69.41744515219717,64.71700543405609,47.91524656149172,0.1894485821789581,0.29083320107014615,0.4488384190924673,0.5680110578418073,0.529549519380269,0.3920684465766814,3.809948077921601,3.3333957884768632,2.590701786011202,2.0305379815181244,2.2113241245235504,2.8575456196221802,0.19175693730143042,0.294376887181458,0.4543073355232895,0.5749320451614774,0.5360018682530069,0.3968456436219469,6.648700044059478,12.367327517396335,15.168305974106984,15.732853078295461,13.563419362230341,8.937675331842438,31.725216152945546,23.58736256250015,20.757884194736043,21.587896475885646,20.503179617853085,17.764447483612415,8.0,2.52,7.2,8,0,5,2.34,1.2357999999999998,3.298769776932236,2.4999999999999996,2.586409289858932,3.2219700748862707,0.0,1.0,1.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.15399999999999997,0.131,0.009000000000000008,0.003999999999999948,3.126,10.0,5.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,36.0,2.0794415416798357,2.3978952727983707,1.791759469228055,1.9459101490553132,0.0,0.0,0.0,0.0,0.0,0.0,3.6109179126442243,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.2857142857142857,7.0,1.0,0,2.0,4.0,1.0,4.0,0.666666666666667,0.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5714285714285714,0.0666666666666667,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7880952380952381,17.033817453757575,25.438068607981563,34.067634907515156,4.2584543634393945,17.03381756689279,0.07469592539889064,0.00933699067486133,-2.0754637876245225,34.55960745133435,4.319950931416794,2.83414846832241,0.0,146.92433570773346,4.0,3.5553480614894135,4.174387269895637,5.056245805348308,5.68697535633982,6.577861357721047,7.2115567333138015,8.105005537547246,8.739536422559677,9.633841842570446,73.7407583867854,2.70805020110221,0.0,4.007333185232471,0.0,5.41610040220442,0.0,6.882437470997847,0.0,8.379079889286603,8.635687085464026,114.14085057599999,4.3900327144615385,14.279080744360847,1.784885093045106,0.0,0.0,0.0,66.0,5.0,4.807,34.0,1.2277999999999998,2.115728773290938,2.941571657473457,3.435863963801067,4.168456882136027,4.591747211619545,0.0,0.0,0.0,0.0,71.22212779891996,87.33182300294537,66.23604419637789,49.51859867017726,42.38461034942971,4.665509038827001,0.0,0.0,0.0,0.0,272.54988247666296,351.76502363100604,389.21402772123446,271.24509237825015,417.3074773291088,142.7286968174187,0.0,0.0,0.0,0.0,8.919363222559998,15.034844997527765,20.910048557604178,23.589427383768204,29.378623934143498,30.849488338366307,0.0,0.0,0.0,0.0,2.0816483842615985,2.816384766535609,3.482229516544019,2.6318085812712053,4.154236655860136,2.0415500660904624,0.0,0.0,0.0,0.0,176.77647004622915,329.69950746599505,454.48625585181156,597.0247560002318,661.4573700683277,849.0951130615789,0.0,0.0,0.0,0.0,2.546391666666666,3.6460972685574276,5.311626286267569,4.525357563044394,7.6081024347864465,4.591747211619545,0.0,0.0,0.0,0.0,0.43219890000000016,0.5910227669426933,0.7427232270337217,0.5730883262079777,0.9001452127754266,0.4701949144698415,0.0,0.0,0.0,0.0,373.707761408692,162.5423625903275,8.947225014776935,118.78155656205111,-51.66345692948552,-6.901876529466561,254.92620484664093,214.20581951981302,15.849101544243496,0.7588139433125584,0.3300424124122496,0.018167348383601803,0.2411860566874416,-0.10490269543786257,-0.014014266457402787,184.04708053653994,80.05037729346363,4.406412745258264,58.4986477787478,-25.443700667213186,-3.3991004647152665,0.06797427097362276,0.14403678193375585,0.8360739375629468,8.049388055551495,492.4893179707431,0.0,1.0,0.0,434.5709840230496,20.84636620668095,7.574493114672902,608.9376334952268,24.67666171699946,8.475999811250391,801.7991681824894,28.316058485998532,9.290131622559658,1.404310375492846,1.404310375492846,410.02612213472406,373.1117008682985,161.65047107314751,1.0989366486779133,2.536498158110443,2.3081386549097274,4.0050127930841795,3.220223780314462,6.424248771333048,0.9949696696872741,5.020218393090364,6.68300448861035,3.1865286032484885,26.75033514210322,4.692708238618285,14.652689388164765,10.095363124019155,12.722502726825388,5.5467212464747195,8.179924101447684,2.3276195799816803,1.1267105586488266,8.026179379330098E-15,1.1027775070766132E-50,2.922421574368591E-108,1.4937356959976128E-187,1.4725857105471169E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4213114940370834,6.6429589866263274,0.17252640001319713,11.704917386360739,1.5277646318154978,1.6708969116851364,0.4140371817387492,0.6796631895180676,1.115878737779974,0.09479433237040369,0.016394683384423674,0.00793551459037387,5.652903763146804E-17,7.766952151257983E-53,2.0582854100911538E-110,1.0520502642636408E-189,1.0371541565773973E-290,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3600452878979534,6.651078506026612,0.619466496684155,13.979447004325568,1.765622122279263,3.5259058587979513,1.4233515457998034,2.32910150731752,1.6548606684960994,0.6958890748878391,0.17083685288911868,0.08269418034560465,5.890761562370021E-16,8.093762976769341E-52,2.1448920919542476E-109,1.0963174888644457E-188,1.0807945961594407E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.738676201492004,6.680533608469351,2.9424809476933453,25.54746858736874,4.354553874266008,13.57676116806912,9.160639551582053,11.699135523604328,5.146185027736403,7.313767433660365,2.073867875997779,1.0038788229747184,7.151181327321846E-15,9.825549049035864E-51,2.6038250088215056E-108,1.3308916125998413E-187,1.312047356338111E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.004456949576807,6.65666851974272,0.9762432736127947,15.777355702184204,2.0500994318023227,5.035319258200125,2.4032921898068027,3.701527375256092,2.1333637908901384,1.4200665918649433,0.3710778438295592,0.17962280985510215,1.2795521276069771E-15,1.7580734727794887E-51,4.658992238421625E-109,2.3813480830224867E-188,2.347630285795412E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.062642866781517,6.692174985664994,4.15772202151639,31.523967750281816,6.10869562032393,18.955639917095993,13.94458422125823,16.83643090466166,7.176517962860496,11.808371676603118,3.3946109193466962,1.6432014597588456,1.1705428311790764E-14,1.6082973533066026E-50,4.26207721244045E-108,2.1784731289823603E-187,2.147627862911711E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0898314211114024,5.141674799240031,1.242128225643486,18.98228423776258,2.3430870816711957,8.19308642267419,3.640308071006999,5.5289222220314285,3.318008076442275,2.795540533275114,0.7510755967725016,0.3635644588252368,2.5898697230456283E-15,3.5584179493778465E-51,9.430004982101794E-109,4.819953143907426E-188,4.751706840937724E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.400794242088663,1.4247659661213898,1.0378137328482577,0.5800063711227049,0.24299421808055902,0.5234232630902679,0.5840573214323718,0.46425529518512976,5.863373941058311,9.853368546676005,20.745298618696197,0.37000955668405733,1.5717358797077694,2.7224398639600453,0.8710127024788403,0.5463246245754884,0.6576295627381249,0.2104008651406225,0.33515206922624535,0.21790994852464304,0.12801861469163206,4.139777191014374,4.334471327533515,9.769737012186123,0.4864443441071873,0.6810806324425205,3.0019977397749193,1.0992448563700066,0.7489317724880373,0.6189463535969825,0.2266402757556595,0.4076587170119966,0.34735167891367774,0.24111536856904064,4.850174368632963,6.371481461216225,13.69307868393365,0.42841953039547376,0.996125764494715,3.384986923430006,1.4118643468390886,1.0263660623310644,0.5812915318272271,0.24245434545865882,0.5185584640260592,0.5735101945783745,0.45402514487695733,5.823217332600159,9.702467701561215,20.43083455100288,0.37193729774084067,1.5460938034813911,3.1221913996142336,1.1973609678582755,0.8360148269945666,0.6055961025907975,0.23224621514840815,0.4410219432024517,0.4122497565251275,0.3007090377325879,5.155567194467076,7.349599941267383,15.630516701868014,0.4083941538861964,1.1539807374601672,3.4499796000082275,1.464909442104819,1.0734323574715299,0.5761179752722625,0.244627725259777,0.5387062545664947,0.6174901561034863,0.49681917600263203,5.988321399584576,10.329708622307455,21.743058069215607,0.3641769629083938,1.653015586672613,3.39316235000566,1.4151766126302276,1.0285298242976524,0.5813326415014879,0.24245475858533141,0.5210869131439183,0.5763323097084677,0.4560177657869351,5.83686878693354,9.747444028988879,20.523234864535233,0.37199896225223184,1.5534369886393211 +UMLCN0294,L,8-propylpentadecane,CCCCCCCC(CCC)CCCCCCC,Alkanes,,C18H38,NREL (2014),Unknown,PubChem,,48,0,-2.5533999999999963,6.519851559999982,65.88189999999999,57.018133999999954,0,0,56,18,38,0,18,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2635.3646099999964,2912.5594010000023,3299.141513000005,3344.864393000001,3344.8643930000007,3223.7983840000015,3036.1862310000006,2839.4295020000004,2642.6727729999993,8804.486519863294,11559.77875181832,15716.8033648453,17115.57186423715,17115.571864237147,16890.444450797935,16163.399805721216,15156.601460766087,14149.803115810953,391.0309199999998,398.65878800000036,766.7124200000011,1069.0433000000028,1069.0433000000028,1069.0195840000026,1066.6008600000032,1003.7159600000032,940.8310600000032,67.09549038426202,89.72598377999994,133.3584098915269,153.36599060973228,153.36599060973228,152.35956632488325,147.3395536091281,138.31802474973185,129.2964958903356,9309.169186541463,7974.160866620204,16820.94329456491,25142.23763565603,25142.23763565603,25136.77072296758,25322.074436147228,23843.119281108648,22364.16412607007,83.27777777777777,101.08333333333334,166.75,211.66666666666663,212.08333333333331,213.83333333333331,210.58333333333331,198.16666666666666,186.75,47.06008232142851,52.95562547272731,30.5476066018519,21.861858777777787,21.861858777777783,21.070577673202624,19.844354450980397,19.71826043055556,19.575353874074068,157.22297356898738,210.1777954876058,145.52595708190094,111.86648277279183,111.86648277279181,110.39506176992114,105.64313598510599,105.2541768108756,104.81335641341447,6.982694999999997,7.248341600000006,7.099189074074084,6.9872111111111295,6.9872111111111295,6.9870561045751804,6.971247450980413,6.970249722222245,6.969118962962987,1.1981337568618218,1.631381523272726,1.234800091588212,1.0023920954884462,1.0023920954884462,0.995814158986165,0.9630036183603145,0.9605418385398045,0.9577518214098932,166.23516404538327,144.98474302945826,155.7494749496751,164.32835055984333,164.32835055984333,164.29261910436327,165.5037544846224,165.57721722992116,165.66047500792644,1.4871031746031744,1.8378787878787881,1.5439814814814814,1.3834422657952068,1.3861655773420478,1.3976034858387798,1.3763616557734204,1.3761574074074074,1.3833333333333333,0.07859765123903839,-0.006051608738815742,-0.0329940501119804,-6.858434822820409E-5,0.0017566771316036255,-0.004860945467834939,1.9701276144999018E-5,4.7126459448270915E-4,0.003559835901926039,1478.7348242142843,-55.745955674747584,-560.2391334846973,2.6251558073960553,2.625155807396169,-118.44085319260435,-6.022416264032472,-6.176837193879237,-6.331258123726002,2749.770549864786,-103.6619850147514,-1041.7885917825313,4.881589322023295,4.881589322023068,-220.24582411719905,-11.19894020934851,-11.486092522408743,-11.77324483546899,0.2896739999999996,-0.0109202500000057,-0.10974700000000495,5.142499999994657E-4,5.142499999994657E-4,-0.023201750000000576,-0.0011797499999996472,-0.0012099999999996012,-0.0012402499999995273,12.292753764941379,-0.46341730463069414,-4.657279726316518,0.021822975564333186,0.021822975564333186,-0.9846013092846686,-0.05006447335346004,-0.05134817779842099,-0.052631882243381056,66.77443355176989,-2.517290153738469,-25.298417389915407,0.11854274962194111,0.11854274962194111,-5.348369938827042,-0.27195101383851306,-0.2789241167574543,-0.2858972196763956,4.704365079365086,-1.0042871315192803,-1.5369897959183723,-0.08811649659864157,0.3285501700680232,-0.2904974489795931,0.013073979591835982,-0.15646258503401406,0.6740008503401338,0.0014035294864113998,-1.1002924979664985E-4,-3.0550046399981855E-4,-4.4826371390983063E-7,1.1481549879762257E-5,-3.177088541068588E-5,1.2876651075162758E-7,3.2726707950188135E-6,2.636915482908177E-5,26.405979003826506,-1.013562830449956,-5.187399384117567,0.017157881094091866,0.01715788109409261,-0.7741232234810742,-0.0393621978041338,-0.04289470273527248,-0.04689820832389631,49.10304553329975,-1.8847633639045709,-9.646190664653068,0.03190581256224376,0.03190581256224227,-1.4395151903084906,-0.07319568764280072,-0.07976453140561628,-0.087209221003474,0.0051727499999999925,-1.9855000000010362E-4,-0.0010161759259259718,3.3611111111076186E-6,3.3611111111076186E-6,-1.5164542483660508E-4,-7.710784313723184E-6,-8.402777777775008E-6,-9.187037037033536E-6,0.2195134600882389,-0.00842576917510353,-0.043122960428856646,1.4263382721786395E-4,1.4263382721786395E-4,-0.006435302675063193,-3.272187800879741E-4,-3.565845680445902E-4,-3.898657943954152E-4,1.192400599138748,-0.045768911886153986,-0.2342446054621797,7.747892132153014E-4,7.747892132153014E-4,-0.03495666626684341,-0.001777457606787667,-0.0019369730330378772,-0.0021177571827881154,0.08400651927437654,-0.01825976602762328,-0.014231386999244188,-5.759248143702064E-4,0.0021473867324707397,-0.0018986761371215237,8.545084700546394E-5,-0.0010865457294028753,0.0049925988914083985,-0.07839468344763958,-0.2176658680544962,-3.193831823626087E-4,0.008180483553016576,-0.022636421762622847,9.174478484300528E-5,0.0023317435270893442,0.018787745526104675,-0.03838383838384027,-0.19644790989820365,6.497725795966704E-4,6.497725795966985E-4,-0.029316209914765728,-0.001490654741429197,-0.0016244314489932976,-0.0017760450508992778,-0.03838383838384116,-0.1964479098982038,6.497725795970536E-4,6.497725795970233E-4,-0.029316209914765228,-0.0014906547414286614,-0.0016244314489927741,-0.0017760450508987706,-0.03838383838385847,-0.19644790989821145,6.497725795964668E-4,6.497725795964668E-4,-0.029316209914765898,-0.0014906547414282917,-0.0016244314489923194,-0.0017760450508981778,-0.038383838383835696,-0.19644790989820077,6.497725795973E-4,6.497725795973E-4,-0.029316209914764968,-0.0014906547414287959,-0.0016244314489929326,-0.0017760450508989241,-0.03838383838385534,-0.19644790989820943,6.497725795969235E-4,6.497725795969235E-4,-0.02931620991476527,-0.0014906547414279198,-0.001624431448991993,-0.001776045050897943,-0.21736129749626262,-0.16940812596654045,-0.0068557157152191826,0.025562143879061184,-0.022601533232441084,0.0010171930433919066,-0.012934064389146651,0.0594310886170858,1.5973280205233726,1.389525927727343,0.9643836330678026,0.9601831006796137,1.0078992348750033,0.9560311137506768,0.9533364168470503,0.9451591152653889,1.5555555555555582,1.4175871778210982,1.0006497725795989,1.0006497725795989,1.0300806482437048,0.9712188969154932,0.9693794671864865,0.9672947801602789,1.5555555555555576,1.4175871778210973,1.0006497725795982,1.0006497725795982,1.030080648243704,0.9712188969154923,0.9693794671864857,0.9672947801602784,1.5555555555555551,1.4175871778210982,1.0006497725795986,1.0006497725795986,1.0300806482437046,0.9712188969154927,0.9693794671864858,0.9672947801602781,1.5555555555555522,1.4175871778210918,1.0006497725795944,1.0006497725795944,1.0300806482437002,0.9712188969154885,0.9693794671864817,0.9672947801602743,1.5555555555555542,1.4175871778210942,1.000649772579596,1.000649772579596,1.0300806482437017,0.9712188969154901,0.9693794671864836,0.9672947801602763,1.800927878532262,1.1637143258821858,0.8278132003539488,0.7959742311095662,0.9169623142382203,0.8787555511449612,0.9066146492337959,0.8515862973897544,191.393596994717,95.69679849735843,141.45836398124558,191.39359699471692,10.632977610817605,95.69679849735843,-1.4210854715202004E-13,1.1102230246251565E-16,6.1679056923619804E-18,-66.12624102541878,5000056.81875396,277780.93437522,27.76492770135228,191.393596994717,95.69679849735843,141.45836398124558,191.39359699471692,10.632977610817605,95.69679849735843,-1.4210854715202004E-13,1.1102230246251565E-16,6.1679056923619804E-18,-66.12624102541878,5000056.81875396,277780.93437522,27.76492770135228,191.393596994717,95.69679849735843,141.45836398124558,191.39359699471692,10.632977610817605,95.69679849735843,-1.4210854715202004E-13,1.1102230246251565E-16,6.1679056923619804E-18,-66.12624102541878,5000056.81875396,277780.93437522,27.76492770135228,191.393596994717,95.69679849735843,141.45836398124558,191.39359699471692,10.632977610817605,95.69679849735843,-1.4210854715202004E-13,1.1102230246251565E-16,6.1679056923619804E-18,-66.12624102541878,5000056.81875396,277780.93437522,27.76492770135228,191.393596994717,95.69679849735843,141.45836398124558,191.39359699471692,10.632977610817605,95.69679849735843,-1.4210854715202004E-13,1.1102230246251565E-16,6.1679056923619804E-18,-66.12624102541878,5000056.81875396,277780.93437522,27.76492770135228,191.393596994717,95.69679849735843,141.45836398124558,191.39359699471692,10.632977610817605,95.69679849735843,-1.4210854715202004E-13,1.1102230246251565E-16,6.1679056923619804E-18,-66.12624102541878,5000056.81875396,277780.93437522,27.76492770135228,213.1113778869879,106.43917659781494,158.3436041513387,212.90424482800302,11.828013601555721,106.43917659781494,-0.2330246913580254,5.551115123125783E-17,3.0839528461809902E-18,-67.37390595042669,5000055.239222308,277780.8466234615,27.76492713272726,0,11.890000000000002,12.110335656157309,-0.170505217475016,0.05006382476444294,5.134521748384006,9.803335995887581,17.0,55.0,55.0,55.0,17.0,0.0,0.0,0.0,0.0,0.0,41.54186599999999,3.611159668634458,3.454952110094371,3.3863906078281483,3.1413919843948555,3.122309329713449,2.869519677879042,2.6396802390062852,2.443643706153368,1.9816138478514878,1.8901664794493898,1.8383700450649205,1.6861799045202563,1.6603311530367584,1.485839148859347,1.3393621194066512,1.2185193706436763,3.636019563997766,3.48483206416532,3.4172641683431193,3.1793328947638857,3.159541722772465,2.9126783041053645,2.689569156384912,2.499797176241874,1.9270360642638087,1.8275257593776422,1.773155699627295,1.6094885500888036,1.5841941311697667,1.4001290454595838,1.2440604962042936,1.1148995074612866,3.745435216075099,3.6153179560964297,3.5524707382958716,3.344695313243531,3.3222577290474593,3.1009348885475894,2.906031922609897,2.742241069532437,1.7673110465585395,1.6411825645173646,1.5793294854761344,1.3773130316108788,1.354435975995738,1.1380046581490513,0.9483524614347588,0.7893296992421034,3.6543371757902845,3.5067979408971146,3.4399838239238507,3.207224512150301,3.1869368223708423,2.944431155931222,2.726227520195363,2.5410103563917263,1.892361230421537,1.7874548985175587,1.7314449573586885,1.5600456213705498,1.5351684510285792,1.3446206134620609,1.1819763849932756,1.0470582845247278,3.798828471293985,3.678305289362434,3.6179040867020955,3.4239874459509134,3.4005266307416866,3.190968007765394,3.008612136574705,2.8561724140105853,1.7176888267517323,1.5824001174542501,1.5183118657846906,1.3030842671884952,1.2812460065042042,1.053592834261773,0.8518223869831215,0.6817590103470326,3.644681750916216,3.5359668593297804,3.4845509372101655,3.302901868499246,3.258534002131781,3.0393796621917306,2.819804229761141,2.6525538514630504,1.8808408468346673,1.7406749444566683,1.673700948131404,1.4522763638836296,1.445055917773463,1.2258691327429332,1.0569737152162761,0.9030559604206886,0,0,0,0,0,3,14,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.4330127018922194,0.6546479303772353,0.637136847124151,0.4330127018922194,0.6546479303772353,0.637136847124151,13.476845205801295,8.846065214951231,6.060477932315069,4.128775077636813,2.9143931773270695,1.9128492513477444,1.2479807653676673,0.7989854976746418,0.7487136225445163,0.5203567773500725,0.35649870190088645,0.24286912221393014,0.17143489278394528,0.11955307820923403,0.08319871769117783,0.05707039269104584,13.476845205801295,8.846065214951231,6.060477932315069,4.128775077636813,2.9143931773270695,1.9128492513477444,1.2479807653676673,0.7989854976746418,0.7487136225445163,0.5203567773500725,0.35649870190088645,0.24286912221393014,0.17143489278394528,0.11955307820923403,0.08319871769117783,0.05707039269104584,28.294728271931554,53.86890021849971,50.78431372549014,51.44000000000004,33.17253532934137,430.79415209580844,0.5052630048559206,0.9619446467589234,0.9068627450980381,0.9185714285714293,0.5923667023096674,7.692752715996579,7.1237000000000075,85.15000000000008,95.69679849735843,141.45836398124558,191.39359699471692,10.632977610817605,95.69679849735843,1.1102230246251565E-16,6.1679056923619804E-18,-66.12624102541878,5000056.81875396,277780.93437522,27.76492770135228,345,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,14.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.600000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.951928693623873,0.0,20.341355508946044,0.0,0.0,0.0,1.0400491307634163,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3017749256731106,0.0,1.3708503401360543,0.0,0.0,0.0,1.0400491307634163,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.348378842277652,0.0,1.505289745527841,0.0,0.0,0.0,1.0400491307634163,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,28.333333333333336,1.5740740740740742,0.2,2.348378842277652,0.2,1.0400491307634163,13.249787431531958,0.293284202569917,0.3483788422776518,1.9250163693591102,0.293284202569917,0.3483788422776518,1.9250163693591102,9.0,0.5,0.0,0.0,0.42857,0.7,0.42857,0.42857,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.16667,0.05556,0.0,8.5,0.47222,8.5,0.47222,0.0,0.0,-8.5,-0.47222,0.0,0.0,25.37116,1.40951,25.37116,0.0,0.0,8.84606,0.49145,8.84606,0.0,0.0,0.06794,0.00377,0.06794,0.00377,0.0,17.0,0,0,0,0,0,0,1.0,0.9059282160429993,1.2095138163107082,2.2109276838953873,3.0946155828034083,3.4283347110826417,3.279361503927303,50.73198009840796,67.73277371339967,123.81195029814168,173.29847263699088,191.98674382062794,183.64424421992896,0.1559967021478377,0.20827275627957748,0.3807116516157468,0.5328786727068087,0.5903435827662394,0.5646910767364279,4.901426706014606,4.597841105746896,3.5964272381622173,2.7127393392541963,2.379020210974963,2.5279934181303014,0.15669812309441852,0.20920923039630704,0.38242347707983637,0.5352746994040174,0.5929979937180774,0.5672301441918081,6.698383050008051,10.341410253220557,15.235843262321293,18.069731957303617,18.181263239327194,16.853391279773007,71.26744542347804,61.11904461291351,50.005985184836895,41.6233013489921,40.3666053752532,43.85776039798276,18.0,15.058823529411764,13.28719723183391,18,0,15,3.44,2.644799999999999,0.26817106052897033,7.478081066260969,0.5684367439851988,0.0,22.97178030389421,5.205177412138249,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.103,0.084,0.08800000000000005,0.024999999999999994,8.528,17.0,17.0,17.0,16.0,15.0,14.0,13.0,10.0,7.0,161.0,2.8903717578961645,2.8903717578961645,2.8903717578961645,2.8903717578961645,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,2.3978952727983707,2.0794415416798357,5.087596335232384,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,0.8235294117647058,17.0,1.0,2,7.0,14.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407406,0.060000000000000026,0.01652892561983471,0.08823529411764706,0.039215686274509824,0.022058823529411766,0.014117647058823535,0.01041666666666667,0.008163265306122448,0.006696428571428571,0.0056980056980056966,0.006000000000000003,0.0023612750885478157,0.2154821285252545,95.69679849735843,141.45836398124558,191.39359699471692,10.632977610817605,95.69679849735843,1.1102230246251565E-16,6.1679056923619804E-18,-66.12624102541878,5000056.81875396,277780.93437522,27.76492770135228,0.0,319.88418196640134,5.169925001442312,4.23410650459726,4.919980925828125,5.631211781821365,6.340359303727752,7.065613363597717,7.786136437783072,8.519390774959724,9.246575864558277,9.984929281123371,98.72830423799668,3.5553480614894135,0.0,4.634728988229636,0.0,5.8664680569332965,0.0,7.1785454837637,0.0,8.539932678385727,8.843759381917984,254.29735121599998,4.541024128857143,34.680248775252615,1.9266804875140342,0.0,0.0,0.0,822.0,17.0,10.521000000000003,68.0,1.2397272727272728,2.1416822554765944,2.8734613577856942,3.5887231823745434,4.665007411164658,5.559055345935258,6.597600802132237,7.671617024149081,8.749670101727279,9.843605353533366,77.22180975787272,73.36262193652564,74.47576943135239,96.9087640028874,114.86609186411124,129.5682646229087,150.4288332622251,171.28744998261016,172.0534166882984,154.52901001234574,287.5990282903022,334.1518722863629,351.7259847502604,459.9863556606782,564.7138744030436,646.9376793485068,758.1918975429966,869.8737414967442,944.7421504850707,917.3162378490589,9.022993228436372,15.254375154377719,20.13397133298177,25.231303734349876,32.7169865272281,38.90761378544361,46.154370691596164,53.63562300843529,61.14278006569873,68.32004617708462,2.1691573263116353,2.7811710269901986,3.055984607332408,3.9722803616430054,4.9562216636024345,5.731771343166052,6.743789932723975,7.765734012037117,8.626359791694558,8.712815092457964,177.43632193628335,329.9697186346047,468.3077643096367,578.1543700334385,757.4880095697339,908.6875123162229,1080.0328883752484,1258.2453582412777,1436.0755341419583,1651.241597668451,2.3418772727272725,3.3867668689893553,4.071420813111191,5.218294971758967,6.711555433212376,7.877254616061294,9.325451163731014,10.869981144872826,12.64939584319425,13.67218660803225,0.4493499545454541,0.5868652567921926,0.651146342337213,0.8449581860238495,1.057335309327395,1.2250549771052928,1.4423288473579852,1.6620200562957614,1.8522582851578844,1.8845571545540112,710.6929226907974,693.1449007033018,17.77795460327697,171.01776663606938,-166.79509403955646,-10.291072254569432,539.6751560547281,859.9399947428583,28.069026857846403,0.8060386828624804,0.7861364380559753,0.020163024922437277,0.19396131713751952,-0.1891721355526431,-0.011671710890140219,626.6255467654287,611.153268202511,15.675012608077086,150.78819290783,-147.06501734195695,-9.073748411489008,0.030635732295791508,0.0668156473584247,0.3727488317324879,4.349612352021446,881.7106893268669,0.0,1.0,0.0,1055.3866754845487,32.486715369279004,10.181314874118693,1423.49404659248,37.7292200634002,11.249120053887372,1986.2266498438973,44.56710277597028,12.570221628130113,3.5422498172504064,3.5422498172504064,6624.108482265252,6360.153383364185,403.58172818633125,1.0415013731573637,16.413301246400682,15.759269905370296,7.971439121452759,9.364340826787707,18.68330496712931,0.9951543106679437,10.942589778979764,16.131298731505844,6.308102924230149,70.86354661231879,31.608823227979922,10.271654101600634,21.202935396948504,29.15625680533447,53.20966232183172,13.978328144181527,12.744482256723348,53.782818253402816,17.431534272423825,53.67910367200395,14.256095846485879,9.033511306101545,30.861652680065266,10.367451266461519,48.40134181758211,8.007605145724071,3.575238998535425,13.20110613793641,5.887767071217071,27.516288353273094,5.795343463723641,2.7026083660443505,4.175707401785724,4.252101056624537,11.537467723941722,7.251381241058951,0.8918606681940443,16.124131161289853,0.4468555397529112,18.48808019575273,1.3697859262282002,1.278860132574796,3.1324651983065452,2.3910145310138162,12.51858932771096,1.3724174468178385,0.5051985331696338,5.836136856204183,1.1824581925814188,11.003302337651732,1.4266305170986324,0.6086610247380887,2.9852955262999634,0.5253228923763597,7.969928301132777,0.6559310109224457,0.30551843763966896,0.23819877341076534,0.07519553813515992,4.656265983929814,0.2518138847533525,0.22779272258848912,0.04289135127716042,0.06239335922050763,2.2457863027128786,0.30676767119956294,2.8964801303085568,16.124622754677155,1.496891993541673,22.757879426880617,3.6545187821700043,2.423061936166629,5.922021420850842,6.0696282566236315,17.871474883839543,2.8303687621821947,1.995184113858054,13.316845617735575,3.294871891764907,17.610580215588268,2.950569645892784,1.490410005801365,6.312356541550342,1.8818259078727209,14.096346150289428,1.6077234606796214,0.9240009766277357,1.3366038957743298,0.5187812472960007,8.15063802832804,0.9674370251077449,0.6448078056096376,0.3399026070071887,0.3954387430834308,3.748211750822318,1.189141804829085,10.310682477058942,16.13051626744845,5.8975010221765976,65.38556789986305,28.38227179260578,9.476520501956255,19.778633497133526,26.886324957522696,49.673899817908335,12.812088234884545,11.638494282740838,50.031688608178364,16.010711569914225,50.3222800371445,13.083371201047376,8.22131168410015,28.31909635433599,9.534095565872535,45.17387594647605,7.363379167590521,3.357756711311685,11.86003640044508,5.269117835130704,25.70225391062823,5.308830500657177,2.5199182421260127,3.729335836112984,3.810886082712583,10.829181037887576,6.63691171574883,4.286528564781547,16.125248664858468,2.261169114767197,27.595535117365817,6.377254669817442,3.4138172665548923,8.103899586422658,9.124808348650282,22.422878725612016,4.1623277905178275,3.3174015537533195,19.13688541681989,5.102579803030128,22.7709201224139,4.321783256168127,2.3445055342051813,9.29793227443509,3.0067590681444942,18.933340509595475,2.4240613851030735,1.363100298880781,2.5501392404252825,1.043866585781322,10.897360188225925,1.5821879341389917,0.9572484193466746,0.7060838076245908,0.7791050445614456,4.89662729192911,1.9537669028697575,13.301116215410726,16.134586055813138,7.887169864752969,93.72525618006965,45.116885324122364,13.49340221668587,26.837595534243746,38.277680589854654,67.48715983138558,18.744331853468562,17.24447282547995,68.59791995887343,23.175967061557518,66.95294117746023,19.037933285943915,12.377302115385804,41.22479333426521,13.715079794027302,61.20535689246958,10.613340065155946,4.400134877282874,18.788117347100425,8.476745223257698,34.70354342295464,7.763750736494106,3.414434395983843,6.047970160237121,6.095461821501056,14.318277023609639,9.741449930408217,7.0429045607387,15.219362080580554,3.6548323561187672,39.336936399956,13.857306273658981,5.461631591868254,12.589858925854402,15.791951459659368,31.735879961294575,7.132495073734627,6.302072025882741,30.857626162055123,9.385133668562315,32.952556308803544,7.832680192653187,4.4712389125618595,17.06841565377167,5.7798076875344995,29.672461972719695,4.482374082251451,2.341536572138881,5.888527163696859,2.4648265323504877,17.104069726102857,2.892829955546363,1.5309518571128016,1.7303840102978891,1.801306840606409,7.9344139264383715,3.5978129203881175,26.69904116942587,1.9020109585710674,0.7317525063694248,0.9102109908080602,0.06484245138777722,0.4748921894540492,0.24988905273159026,0.42209578625335875,29.33280463436636,71.71076046705241,138.20332493803488,0.8653164862120905,1.1468770284389982,24.73595798947622,1.3133755300023748,0.2748064002984769,0.9396682309416056,0.04989243842362533,0.407611694566749,0.11866239369290006,0.06018285024725707,26.32413991977707,39.646125509207174,74.89806637094634,0.9095023464124085,0.5864569385069062,25.529020194405753,1.5511230224447967,0.4594678630967186,0.9269927639971098,0.05632334523323147,0.43417357356222686,0.16579059593105758,0.16747155168136962,27.53961107994727,52.04110650020032,97.77502512008991,0.8904891459956649,0.7674357211746541,26.651769108490438,1.887831379722777,0.7207545518121314,0.91084913604204,0.0645184030453631,0.47321165980522445,0.24615338215617416,0.40960401272872393,29.260355040025345,70.8840930069138,136.4085257562172,0.8662737040630599,1.1289690546901225,25.876767392929303,1.6553965033523121,0.5404122387442136,0.9217810032276718,0.05896845716581362,0.44608509431452015,0.18896813207863347,0.2312285559886413,28.072576135025827,57.715028588978456,108.93687105132354,0.8826715048415076,0.866281782381795,26.84661440774679,1.9462779319753871,0.7660842110127546,0.9082389696973219,0.06584388768111785,0.4801576135412258,0.2617344709274444,0.46227915925455537,29.558976550734933,74.30875338090131,143.89637548726265,0.8623584545459828,1.2041712437232257,26.725344260056495,1.8972642475498551,0.7227704008386009,0.9107173004457452,0.06465291361441117,0.47582879152573093,0.24860333664767983,0.41201815763751226,29.345378908444953,71.3926143921559,137.38609550741194,0.8660759506686179,1.1364502858109229 +UMLCN0295,L,"2,3-dimethylpentane",CCC(C)C(C)C,Alkanes,,C7H16,NREL (2014),IQT,PubChem,,22,0,0.46960000000000024,0.22052416000000022,31.6134,22.988687999999986,0,0,23,7,16,0,7,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1026.105871,1059.2981339999997,1289.4136149999981,1247.0865179999976,705.420914,187.95974400000003,18.289152,0.0,0.0,3461.9582231401955,4376.8872724242765,5892.912549998807,6542.707301368272,5420.034115852226,2682.3566625452972,559.5073997567447,0.0,0.0,160.27903600000002,159.12520800000004,296.71154800000005,379.70440799999994,437.6807119999998,367.5870719999999,120.93235199999997,0.0,0.0,26.63610647758398,34.55010896000002,49.800242583037054,58.14276158728208,54.1049921606211,32.036273723657956,8.003032287282004,0.0,0.0,3846.242925017985,3210.726899946401,6660.186018629039,8682.960304363483,10516.122147696024,9604.011957573259,3328.517736436482,0.0,0.0,37.80555555555556,44.44444444444445,66.0,87.33333333333334,96.0,66.0,18.0,0.0,0.0,44.613298739130435,48.149915181818166,30.700324166666622,23.094194777777734,11.197157365079367,3.4807360000000007,1.016064,0.0,0.0,150.5199227452259,198.94942147383074,140.30744166663825,121.16124632163466,86.03228755320994,49.67327152861662,31.08374443093026,0.0,0.0,6.968653739130436,7.232964000000002,7.064560666666668,7.03156311111111,6.947312888888885,6.807167999999998,6.718463999999998,0.0,0.0,1.158091585981912,1.570459498181819,1.1857200615008823,1.0767178071718904,0.8588093993749382,0.593264328215888,0.4446129048490002,0.0,0.0,167.22795326165152,145.94213181574548,158.57585758640568,160.79556119191636,166.92257377295275,177.85207328839368,184.917652024249,0.0,0.0,1.643719806763285,2.0202020202020203,1.5714285714285714,1.617283950617284,1.5238095238095237,1.2222222222222223,1.0,0.0,0.0,0.031819435543439974,-0.00732606462320041,-7.182549146391437E-4,-0.005132310970501073,-0.018510699563597806,0.00621981647689899,0.009557795823319476,0.0,0.0,589.5388264347827,-58.587709459356645,-8.010038402646014,-215.58446215122865,-377.8449543648387,163.40478341398756,201.85296774669135,0.0,0.0,1096.27262196491,-108.94634752446328,-14.895008450610387,-400.8885131564235,-702.618827198784,303.8581723924478,375.3542129553769,0.0,0.0,0.115486608695652,-0.011476930056708506,-0.0015691115311893033,-0.042231516068051506,-0.07401723251417791,0.032009875236291604,0.0395416105860096,0.0,0.0,4.9008486914386085,-0.4870408637454439,-0.06658761809019298,-1.7921581783133367,-3.1410330704833616,1.3583874090400379,1.6780079758729958,0.0,0.0,26.621487874186396,-2.645613701782522,-0.36170499829058933,-9.735031668277813,-17.062141490792612,7.378781965127788,9.114965956922537,0.0,0.0,3.311594202898553,-1.7545683679899173,0.4020163831127917,0.5437933207309396,-1.7846565847510993,0.029300567107747477,0.9083175803402634,0.0,0.0,0.0013834537192799988,-3.3300293741820046E-4,-1.7101307491408185E-5,-9.504279575001986E-5,-2.9382062799361596E-4,1.1518178660924056E-4,5.30988656851082E-4,0.0,0.0,25.63212288846881,-2.6630777026980295,-0.19071520006300033,-3.9923048546523825,-5.997538958172043,3.0260145076664364,11.214053763705074,0.0,0.0,47.664027041952615,-4.952106705657422,-0.35464305834786636,-7.423861354748584,-11.152679796806094,5.627003192452737,20.85301183085427,0.0,0.0,0.005021156899810956,-5.216786389412957E-4,-3.735979836165008E-5,-7.820651123713241E-4,-0.0011748767065742525,5.927754673387334E-4,0.0021967561436672,0.0,0.0,0.21308037788863515,-0.02213822107933836,-0.001585419478337928,-0.033188114413209936,-0.049857667785450185,0.025155322389630332,0.09322266532627754,0.0,0.0,1.1574559945298433,-0.1202551682628419,-0.008612023768823555,-0.1802783642273669,-0.27082764271099385,0.13664411046532943,0.5063869976068076,0.0,0.0,0.14398235664776318,-0.07975310763590533,0.00957181864554266,0.010070246680202585,-0.028327882297636497,5.426030945879163E-4,0.0504620877966813,0.0,0.0,-0.24070406749241144,-0.012361315202006428,-0.06869965682660038,-0.21238197122093194,0.08325669663108462,0.3838138200441056,0.0,0.0,-0.10389610389610278,-0.0074404761904757356,-0.1557539682539682,-0.23398526077097465,0.11805555555555476,0.43749999999999883,0.0,0.0,-0.10389610389610406,-0.007440476190476288,-0.1557539682539685,-0.23398526077097515,0.1180555555555555,0.43750000000000006,0.0,0.0,-0.10389610389608352,-0.007440476190468506,-0.15575396825396323,-0.2339852607709761,0.11805555555554359,0.4374999999999814,0.0,0.0,-0.10389610389610221,-0.007440476190475575,-0.15575396825396778,-0.23398526077097498,0.11805555555555458,0.43749999999999845,0.0,0.0,-0.10389610389610479,-0.007440476190476464,-0.15575396825396864,-0.23398526077097523,0.11805555555555616,0.437500000000001,0.0,0.0,-0.5539088919832895,0.0664791080546004,0.06994083799335445,-0.1967455107498866,0.0037685387794793106,0.3504741064916112,0.0,0.0,1.7791262459126085,1.0451800285084807,1.150743429531634,1.2152524631633999,0.5788936421112711,1.968580862980484E-5,0.0,0.0,1.6428571428571437,1.1832482993197286,1.2549603174603183,1.1473922902494338,0.5019841269841271,0.0,0.0,0.0,1.6428571428571428,1.1832482993197277,1.254960317460317,1.1473922902494327,0.5019841269841271,0.0,0.0,0.0,1.6428571428571432,1.183248299319728,1.2549603174603174,1.1473922902494331,0.5019841269841271,0.0,0.0,0.0,1.6428571428571432,1.1832482993197282,1.2549603174603179,1.1473922902494333,0.5019841269841272,0.0,0.0,0.0,1.642857142857144,1.1832482993197289,1.254960317460318,1.1473922902494333,0.5019841269841272,0.0,0.0,0.0,2.1641137855579853,0.751328540168802,0.953440311208363,1.3093327776041117,0.7381473377097005,0.0,0.0,0.0,27.269244053461584,13.634622026730792,19.85726871160522,27.269244053461584,3.895606293351655,13.63462516632695,0.0,0.04860843749690108,0.006944062499557297,-2.116770706467897,32.00227291232056,4.5717532731886505,2.4260648501511373,27.269244053461584,13.634622026730792,19.85726871160522,27.269244053461584,3.895606293351655,13.63462516632695,0.0,0.04860843749690108,0.006944062499557297,-2.116770706467897,32.00227291232056,4.5717532731886505,2.4260648501511373,27.269244053461584,13.634622026730792,19.85726871160522,27.269244053461584,3.895606293351655,13.63462516632695,0.0,0.04860843749690108,0.006944062499557297,-2.116770706467897,32.00227291232056,4.5717532731886505,2.4260648501511373,27.269244053461584,13.634622026730792,19.85726871160522,27.269244053461584,3.895606293351655,13.63462516632695,0.0,0.04860843749690108,0.006944062499557297,-2.116770706467897,32.00227291232056,4.5717532731886505,2.4260648501511373,27.269244053461584,13.634622026730792,19.85726871160522,27.269244053461584,3.895606293351655,13.63462516632695,0.0,0.04860843749690108,0.006944062499557297,-2.116770706467897,32.00227291232056,4.5717532731886505,2.4260648501511373,27.269244053461584,13.634622026730792,19.85726871160522,27.269244053461584,3.895606293351655,13.63462516632695,0.0,0.04860843749690108,0.006944062499557297,-2.116770706467897,32.00227291232056,4.5717532731886505,2.4260648501511373,36.667715687129956,18.212826097533245,27.502193445013717,36.49481319279891,5.213544741828414,18.21282612491692,-0.242063492063469,0.03164857181191305,0.004521224544559007,-2.4171435790853524,25.316658658223677,3.6166655226033826,2.262023836829932,0,11.889999999999997,12.11009425580983,-0.16340912390310283,0.05746836293952759,5.44136797913392,8.270756012836438,6.0,22.0,22.0,22.0,6.0,0.0,0.0,0.0,0.0,0.0,17.491311999999997,3.547091456401244,3.006727816106361,2.625332468886112,2.333552793103048,1.85316397301631,1.3731479905754842,0.8188803029595437,0.08392307051869134,1.9336256628908715,1.6146596845612033,1.4002735452488064,1.2496297225843558,0.8990301641871421,0.5797725080802253,0.2934440198646563,0.0839230705186906,3.572575547098361,3.049614047251461,2.68305163310231,2.405454587841286,1.9370229251685525,1.4739445067047299,0.9509867937886902,0.2709139018929379,1.8760264643278197,1.5304180284520554,1.298376168096088,1.1345406859483511,0.7707311708067249,0.4371603880871768,0.12899982198661203,0.2709139018929365,3.685697279047946,3.2358981484503815,2.928576465624807,2.704236987233521,2.28293487982595,1.8820959558808334,1.4670255673662398,0.9439184268026222,1.7084784006337221,1.2724627069370944,0.9757076961021199,0.760318560430897,0.34724914629362524,0.04341361306311496,0.44176660152302005,0.9439184268026207,3.5914083143432567,3.0811179182465636,2.725184981270951,2.457539916041695,1.9976596616231377,1.546401871842642,1.0447658161408915,0.3992772455089823,1.8395050915309255,1.4758483050404099,1.231499507088955,1.0582626705327118,0.6852100234480512,0.3413888629239653,0.01742330038123484,0.39927724550898136,3.741381864923856,3.3246560602076913,3.0423700628019628,2.8389820851496497,2.4370904574335253,2.0599378660545837,1.6834467346315207,1.2076448229620895,1.6568755078226638,1.1891535541320315,0.8678066183707918,0.63133726218756,0.19901724773905405,0.2157517641307973,0.6540870556531279,1.2076448229620873,3.5566613540109167,3.1491137647020198,2.8526687655456406,2.6187912295903715,2.081679666903241,1.6008848366017536,1.1305894461597434,0.5753424657534255,1.8617565350608074,1.3925740137307512,1.0931016192698622,0.8927638323300949,0.5726215926848913,0.2507514739338039,0.1005772637705096,0.5753424657534242,0,0,0,0,0,4,1,2,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5690355937288492,0.0,0.23570226039551587,0.0,0.5690355937288492,0.0,0.23570226039551587,0.0,1.2761423749153968,0.7071067811865476,0.23570226039551587,1.2761423749153968,0.7071067811865476,0.23570226039551587,5.8618073195657985,3.1807392125526213,2.6295491105128677,1.782021738317077,0.47140452079103173,0.0,0.0,0.0,0.8374010456522569,0.5301232020921035,0.3756498729304097,0.29700362305284617,0.23570226039551587,0.0,0.0,0.0,5.8618073195657985,3.1807392125526213,2.6295491105128677,1.782021738317077,0.47140452079103173,0.0,0.0,0.0,0.8374010456522569,0.5301232020921035,0.3756498729304097,0.29700362305284617,0.23570226039551587,0.0,0.0,0.0,11.334622430286998,22.102694828841948,20.80392156862746,21.080000000000002,13.388435928143707,177.48334610778446,0.4928096708820434,0.9609867316887803,0.9045183290707591,0.9165217391304349,0.5821059099192916,7.716667222077585,2.6885000000000012,34.292999999999985,13.634622026730792,19.85726871160522,27.269244053461584,3.895606293351655,13.63462516632695,0.04860843749690108,0.006944062499557297,-2.116770706467897,32.00227291232056,4.5717532731886505,2.4260648501511373,36,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,1.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.081018518518519,0.0,1.3171296296296298,0.0,0.0,0.0,1.7685185185185182,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.240740740740741,0.0,1.3171296296296298,0.0,0.0,0.0,0.8657407407407406,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2962962962962963,0.0,1.3171296296296298,0.0,0.0,0.0,0.9027777777777777,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.166666666666666,1.738095238095238,0.2,2.2962962962962963,0.2,0.8657407407407406,5.309476851851851,0.46759259259259267,0.29629629629629634,2.162037037037037,0.46759259259259267,0.29629629629629634,2.162037037037037,3.5,0.5,0.0,0.0,0.42174,0.7,0.42174,0.42174,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.57143,0.28571,0.0,3.0,0.42857,3.0,0.42857,0.0,0.0,-3.0,-0.42857,0.0,0.0,7.55695,1.07956,7.55695,0.0,0.0,3.18073,0.45439,3.18073,0.0,0.0,0.23327,0.03332,0.23327,0.03332,0.0,6.0,0,0,0,0,0,0,1.0,0.8865408928220899,1.3061706517091867,2.2724994555866935,2.7827315205218937,2.7829820882142324,2.2784593565379287,20.39044053490807,30.041924989311294,52.26748747849395,64.00282497200355,64.00858802892735,52.40456520037236,0.19598292262472913,0.2887482617454227,0.502369477341597,0.6151637907370404,0.6152191824161581,0.5036870012329753,3.637021063234923,3.217391304347826,2.2510625004703195,1.7408304355351194,1.7405798678427806,2.2451025995190843,0.1988013201316891,0.2929007020200308,0.5095939684531183,0.6240103579326179,0.6240665461901733,0.5109304394343813,6.634953581644547,11.67051068828971,15.151148624374112,15.665373271544855,14.820339753910023,7.826158094030974,27.765075162887893,21.21742031364256,18.721594554361914,18.542748595289567,15.329602312458473,11.00039300217964,7.0,3.061224489795918,2.6666666666666665,7,0,5,2.23,1.0949,1.9441612972396658,1.9419670868292938,4.93099806741505,0.0,0.0,1.4142135623730951,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.121,0.10400000000000001,0.049000000000000044,0.010000000000000009,2.811,7.0,6.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,28.0,1.9459101490553132,2.0794415416798357,1.9459101490553132,1.0986122886681098,0.0,0.0,0.0,0.0,0.0,0.0,3.367295829986474,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.3333333333333333,6.0,1.0,0,2.0,4.0,1.0,2.0,1.1111111111111116,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3333333333333333,0.1587301587301588,0.041666666666666664,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5337301587301587,13.634622026730792,19.85726871160522,27.269244053461584,3.895606293351655,13.63462516632695,0.04860843749690108,0.006944062499557297,-2.116770706467897,32.00227291232056,4.5717532731886505,2.4260648501511373,0.0,129.62835108186675,3.807354922057604,3.295836866004329,3.970291913552122,4.6913478822291435,5.3981627015177525,6.12029741895095,6.834108738813838,7.556427969440253,8.272059622210412,8.994296557777195,68.132829670496,2.5649493574615367,0.0,3.713572066704308,0.0,5.056245805348308,0.0,6.46302945692067,0.0,7.890956716138919,8.168486417126681,100.12520051199999,4.353269587478261,12.505242858682479,1.7864632655260684,0.0,0.0,0.0,46.0,6.0,4.2010000000000005,26.0,1.2248181818181816,2.1106570792371127,2.8945054487374215,3.511633513244133,4.185783687860599,5.352201743647857,0.0,0.0,0.0,0.0,69.72220730918178,74.05869282825938,74.56712260537292,45.480466272438846,16.59196324060365,5.438179512457814,0.0,0.0,0.0,0.0,268.7875960232532,322.8305105085862,372.2390591034905,323.9122252595766,223.17496977196262,166.36647114232926,0.0,0.0,0.0,0.0,8.893455721090907,14.972319113429483,20.399634011174175,24.462772283523,28.566117714210627,35.958574735435356,0.0,0.0,0.0,0.0,2.0597711487490895,2.6662754483524673,3.246447641871764,3.161677674069881,2.605250182901647,2.3796579645811557,0.0,0.0,0.0,0.0,176.6115070737156,330.26567456207675,462.0932757011149,581.1491615054466,738.6527364334312,989.7165795954529,0.0,0.0,0.0,0.0,2.523888888888888,3.4435576087792334,4.803360557083409,5.514555882799554,5.298299459495504,5.352201743647857,0.0,0.0,0.0,0.0,0.4279111363636364,0.5623821111660176,0.6911766919822876,0.6855279632205419,0.5817064198138883,0.5480654585495405,0.0,0.0,0.0,0.0,362.77946956379213,141.31890351624602,8.686955574127863,130.44900625347842,-50.81574916764647,-7.829374359784952,232.33046331031372,192.1346526838925,16.516329933912814,0.7355201237371246,0.2865181360060025,0.01761243723759813,0.2644798762628756,-0.10302679520570202,-0.015873727377179153,178.93316483074707,69.70250738548593,4.2846538573194275,64.34116452628075,-25.063774509471,-3.8616703820795495,0.07665336176245187,0.16668109850691973,1.2175336868646245,9.498315138518823,493.22847581727046,0.0,1.0,0.0,372.4894148768997,19.299984841364505,7.195118958220815,527.481992185502,22.966976121934337,8.079836002258588,629.2361872094914,25.08458066640723,8.569152996624528,1.3567128507615636,1.2058352054617782,381.1611578265571,287.32515369982536,129.85281536425566,1.3265847174130956,2.935332258737292,2.2126986842282728,3.8994540601093677,3.220218460982486,6.424246450394837,0.9949722443472996,4.462408854974309,5.691170425368054,2.6708594226474354,23.44903724798976,6.5680183480567615,4.460822488897621,7.840284493168692,15.462957559284833,5.403743144046088,5.573907010252334,0.8842203317266488,1.1267105526461845,8.026179104848394E-15,1.1027773721920957E-50,2.922420801982873E-108,1.4937350086590368E-187,1.4725846652083677E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.37449905302649994,5.690851779331259,0.16090119931007907,7.713112088734804,1.5337037779357596,0.10279106264122062,0.6539462003165574,0.7415402409167317,1.0164619527705037,0.07636488002237136,0.006228704459000645,0.00793551454809677,5.652903569827095E-17,7.766951201255298E-53,2.058284866093577E-110,1.0520497801654618E-189,1.037153420336769E-290,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2089285947484611,5.690873701855342,0.5610829620136042,9.93097360626203,1.884584279383361,0.5106949596678062,1.816010773510864,2.7200382114911337,1.3915331312399302,0.504429318665455,0.06489951447535151,0.08269417990504467,5.890761360915981E-16,8.093761986793297E-52,2.1448915250668306E-109,1.0963169843968191E-188,1.0807938289399416E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.212149946137884,5.6911356636848165,2.477525130535859,22.133988548619538,6.0204164085708785,4.023630433566775,7.292506694814931,14.198596401177873,4.95103314550342,4.991801439069591,0.787825132102195,1.0038788176264721,7.15118108276359E-15,9.825547847239097E-51,2.6038243206397363E-108,1.330891000193545E-187,1.3120464249601051E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.781738315953793,5.69090155417928,0.8690961063675084,11.748657527496087,2.326388016831237,0.9337239799590225,2.7042391234469885,4.382991419697569,1.8035449985541436,1.0043751248033062,0.1409677887456072,0.179622808898147,1.2795520838484675E-15,1.7580732577434633E-51,4.658991007066404E-109,2.3813469872513914E-188,2.3476286192921382E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.389004951648258,5.69131645246162,3.431738912841429,28.717407144582243,8.867368032623732,6.273020309737602,9.990898027521688,20.55662074613217,7.288983234796503,8.007985494489654,1.2895487686983966,1.643201451004556,1.1705427911484995E-14,1.6082971565902106E-50,4.26207608598847E-108,2.1784721265636447E-187,2.147626338383388E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.738867285122111,4.639785482397059,1.1800102060905244,14.296108816578684,3.5099053395999524,1.7810195701295815,4.220876503683527,7.072385979188616,2.9327307918352297,2.004840630582988,0.29269828835109407,0.37296254735745354,2.6568174030686004E-15,3.6504021102399274E-51,9.673766738033007E-109,4.944545984752377E-188,4.874534339327381E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.4090353170520835,1.7044613488239928,0.58293967599283,0.5984505245842237,0.29921537721683505,0.5185200965413558,0.512568308754345,0.47624719107227453,5.696436341868907,8.791429024287439,17.87507653827925,0.3976757868763356,1.5073355963679753,2.6899029031498936,1.1171517037615943,0.17999796224412834,0.6746595026008311,0.28019487688826394,0.3221299375071084,0.21891959901381788,0.04569873762249111,3.9870525691556162,3.6902916826033514,8.218243458259522,0.5119892539012466,0.5867482741434173,2.9877336015416143,1.360420250719093,0.34692392702346253,0.636354442246777,0.2897545716327852,0.3977792334778032,0.32545955650402997,0.1692856300411077,4.69507777928417,5.573051905019583,11.678227413580839,0.4545316633701655,0.8925244200229407,3.392415010341876,1.6908906454942199,0.5736310752021005,0.5996911706168718,0.2989057021296926,0.5134516808636732,0.5043763181190233,0.461220994130803,5.656936731038196,8.652144895559434,17.59954581013709,0.3995367559253077,1.4790489931134996,3.115148846132374,1.464478903993391,0.4183155334568347,0.6232861537995263,0.29301631109019527,0.43259685587997093,0.37753968278799616,0.24584830283250717,4.997943283582599,6.477799193287798,13.384127125521973,0.43492923069928946,1.0559848415004742,3.4607088124025935,1.7466525953892968,0.6118795938223216,0.5947010634965315,0.30015127314795675,0.5344383614115239,0.53846376109772,0.524489500316474,5.819241001614213,9.230934212155336,18.748776889632303,0.3920515952447974,1.597391622825718,3.40248244542735,1.6962386884045897,0.5739491356100994,0.5998026121412512,0.2990194401994444,0.51659830149752,0.5078035238680372,0.4615582732253742,5.672670269442039,8.697828948031118,17.683002092552393,0.39970391821187673,1.4859600985909314 +UMLCN0296,L,n-dodecane,CCCCCCCCCCCC,Alkanes,,C12H26,NREL (2014),IQT,PubChem,,72.9,0,-2.7774,7.71395076,40.913399999999996,38.45661799999996,0,0,38,12,26,0,12,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1757.5871159999972,1901.689618999999,2015.824281999997,1855.6458569999945,1658.889127999995,1462.1323989999955,1265.375669999996,1068.6189409999965,871.8622120000002,5890.380176196138,7641.837944876109,10010.39328143205,10122.609735990429,9115.811391035286,8109.013046080135,7102.214701125013,6095.4163561698915,5088.6180112147695,265.16625600000015,268.00410800000003,510.31165600000014,689.291460000001,626.4065600000005,563.52166,500.63675999999964,437.75185999999974,374.86695999999995,45.02673552607405,59.63005206000002,86.2258447375839,93.21038045275176,84.18885159335582,75.16732273395995,66.14579387456408,57.1242650151681,48.102736155772085,6329.391225710475,5375.924157525402,11270.263188081388,16448.343505915756,14969.38835087716,13490.433195838563,12011.478040799966,10532.522885761371,9053.567730722774,56.5,68.25,111.0,134.75,122.5,110.25,98.0,85.75,73.5,46.25229252631571,51.39701672972971,27.997559472222182,18.74389754545449,18.432101422222168,18.051017271604884,17.57466208333328,16.962205412698356,16.145596518518524,155.01000463674046,206.53616067232727,139.0332400198896,102.24858319182252,101.2867932337254,100.11127217382882,98.6418708489585,96.75264057412527,94.23366687434758,6.978059368421056,7.243354270270271,7.087661888888891,6.96254000000001,6.960072888888894,6.957057530864198,6.953288333333329,6.948442222222218,6.94198074074074,1.1849140927914223,1.611623028648649,1.1975811769108875,0.9415189944722401,0.9354316843706202,0.9279916386908635,0.9186915815911677,0.9067343653201285,0.8907914102920756,166.5629269923809,145.29524750068654,156.53143316779705,166.14488389813894,166.32653723196844,166.54855797331558,166.82608389999953,167.18290294859318,167.65866168005138,1.486842105263158,1.8445945945945945,1.5416666666666667,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,0.054072210824506674,-0.004413884623719819,-0.025307803477381974,-9.914503779136653E-5,-2.817691207225798E-6,-2.439755365552139E-8,3.6100650908314075E-9,9.633612458822584E-8,1.510445040071558E-6,994.0156528421055,-56.67633108310406,-443.3497614903059,-9.054798457063386,-9.390161362880578,-9.725524268697827,-10.060887174515019,-10.39625008033221,-10.731612986149345,1848.4145524483527,-105.39205781503773,-824.4278132040234,-16.83778438465087,-17.461406028526806,-18.08502767240274,-18.708649316278734,-19.332270960154784,-19.955892604030947,0.1947208421052631,-0.011102504155120298,-0.08684917451523158,-0.001773772853185876,-0.0018394681440446897,-0.0019051634349035035,-0.0019708587257623172,-0.002036554016621131,-0.0021022493074799448,8.263273075602317,-0.47115153501238727,-3.6855759129373116,-0.07527273044576897,-0.07806060935116864,-0.08084848825656742,-0.08363636716196708,-0.08642424606736675,-0.08921212497276686,44.886230494633914,-2.5593026159226975,-20.020106853545037,-0.4088826664490519,-0.4240264689101203,-0.4391702713711887,-0.45431407383225,-0.46945787629331837,-0.48460167875438676,3.2105263157894712,-0.6523545706371181,-1.188365650969526,0.030470914127424822,0.027700831024931108,0.024930747922437838,0.022160664819944123,0.019390581717450853,0.016620498614957915,0.0014229529164343862,-1.1929417901945456E-4,-3.514972705191941E-4,-1.0014650281956215E-6,-3.130768008028664E-8,-3.01204366117548E-10,5.0139792928213994E-11,1.5291448347337435E-9,2.7971204445769592E-8,26.15830665373962,-1.5317927319757854,-6.157635576254249,-0.09146261067740794,-0.10433512625422864,-0.12006820084812132,-0.13973454409048636,-0.16501984254495572,-0.19873357381758047,48.64248822232507,-2.84843399500102,-11.450386294500326,-0.1700786301479886,-0.19401562253918672,-0.22327194657287336,-0.2598423516149824,-0.3068614438119807,-0.36955356674131384,0.005124232686980608,-3.000676798681162E-4,-0.0012062385349337719,-1.791689750692804E-5,-2.0438534933829884E-5,-2.3520536233376586E-5,-2.7373037857809962E-5,-3.232625423208145E-5,-3.893054273111009E-5,0.2174545546211136,-0.012733825270605062,-0.05118855434635155,-7.603306105633229E-4,-8.673401039018737E-4,-9.981294846489804E-4,-0.001161616210582876,-0.001371813429640742,-0.0016520763883845714,1.1812165919640503,-0.06917034097088372,-0.27805703963256995,-0.004130127943929817,-0.0047114052101124475,-0.00542185520211344,-0.006309917692114583,-0.0074517123221161646,-0.008974105162118273,0.08448753462603871,-0.017631204611814003,-0.01650507848568786,3.077870113881295E-4,3.077870113881234E-4,3.0778701138812147E-4,3.077870113881128E-4,3.077870113881088E-4,3.0778701138810954E-4,-0.08383564743546125,-0.24701960722633792,-7.037935104030549E-4,-2.2001908649751356E-5,-2.116755675038787E-7,3.523643849991434E-8,1.0746278510503715E-6,1.965715388240632E-5,-0.05855855855856016,-0.235398860398861,-0.0034965034965033694,-0.003988603988603856,-0.00459006014561559,-0.005341880341880225,-0.006308506308506186,-0.007597340930674093,-0.058558558558558606,-0.23539886039886074,-0.0034965034965034726,-0.003988603988603956,-0.004590060145615658,-0.005341880341880302,-0.006308506308506292,-0.007597340930674321,-0.0585585585585356,-0.23539886039884994,-0.00349650349650405,-0.003988603988604789,-0.004590060145616802,-0.005341880341881819,-0.0063085063085082695,-0.00759734093067687,-0.058558558558555386,-0.23539886039885885,-0.0034965034965034445,-0.003988603988603971,-0.004590060145615675,-0.005341880341880362,-0.006308506308506387,-0.00759734093067446,-0.058558558558572026,-0.23539886039886618,-0.0034965034965031335,-0.003988603988603503,-0.004590060145615066,-0.005341880341879436,-0.0063085063085051496,-0.007597340930672768,-0.20868409392999543,-0.19535519125683026,0.003642987249544749,0.003642987249544677,0.003642987249544654,0.003642987249544551,0.003642987249544504,0.003642987249544513,1.6090359187713241,1.4182495476226415,0.9369825183885839,0.9345969424298666,0.9324475502670478,0.9297875389154573,0.9263668317160059,0.921789144656559,1.5833333333333341,1.4395477207977216,0.9559052059052066,0.9513532763532768,0.9457898069009185,0.9388354700854705,0.9298941798941803,0.9179724596391268,1.5833333333333341,1.4395477207977212,0.9559052059052063,0.9513532763532767,0.9457898069009183,0.9388354700854704,0.9298941798941803,0.9179724596391269,1.5833333333333313,1.4395477207977194,0.9559052059052047,0.951353276353275,0.9457898069009167,0.9388354700854689,0.9298941798941786,0.9179724596391251,1.5833333333333335,1.4395477207977194,0.9559052059052051,0.9513532763532758,0.9457898069009179,0.9388354700854702,0.92989417989418,0.9179724596391262,1.5833333333333313,1.4395477207977179,0.955905205905204,0.9513532763532747,0.9457898069009164,0.9388354700854687,0.9298941798941787,0.9179724596391254,1.7909836065573783,1.2004781420765036,0.8148700115913238,0.8323315118397092,0.8536733454766249,0.8803506375227693,0.9146500130106695,0.960382513661203,99.25747698333795,49.62873849166897,78.97647876215954,99.25747698333791,8.271456415278161,49.62873849166897,-1.4210854715202004E-14,0.0,0.0,0.0,68.7263116082826,5.72719263402355,5.076158542497369,99.25747698333795,49.62873849166897,78.97647876215954,99.25747698333791,8.271456415278161,49.62873849166897,-1.4210854715202004E-14,0.0,0.0,0.0,68.7263116082826,5.72719263402355,5.076158542497369,99.25747698333795,49.62873849166897,78.97647876215954,99.25747698333791,8.271456415278161,49.62873849166897,-1.4210854715202004E-14,0.0,0.0,0.0,68.7263116082826,5.72719263402355,5.076158542497369,99.25747698333795,49.62873849166897,78.97647876215954,99.25747698333791,8.271456415278161,49.62873849166897,-1.4210854715202004E-14,0.0,0.0,0.0,68.7263116082826,5.72719263402355,5.076158542497369,99.25747698333795,49.62873849166897,78.97647876215954,99.25747698333791,8.271456415278161,49.62873849166897,-1.4210854715202004E-14,0.0,0.0,0.0,68.7263116082826,5.72719263402355,5.076158542497369,99.25747698333795,49.62873849166897,78.97647876215954,99.25747698333791,8.271456415278161,49.62873849166897,-1.4210854715202004E-14,0.0,0.0,0.0,68.7263116082826,5.72719263402355,5.076158542497369,108.23948842649702,54.05029976880404,86.54088184055637,108.12374768575623,9.010312307146352,54.05029976880404,-0.13888888888893547,2.7755575615628914E-16,2.312964634635743E-17,-42.98461180536354,68.13911138086199,5.678259281738499,5.06586164528228,0,11.889999999999995,12.11019763308084,-0.17050517865803363,0.04991119122257312,5.11612431284215,7.525212172115982,11.0,37.0,37.0,37.0,11.0,0.0,0.0,0.0,0.0,0.0,28.423381999999993,3.5289474598596677,3.3992370225047646,3.1930053267562135,2.924908085463314,2.6148220970899994,2.286848729311171,1.9672386839055758,1.6805889164947045,1.9424877367284898,1.8542709870443246,1.714265621719078,1.534314666067437,1.3319411683839062,1.1282493074937356,0.9430484018309325,0.7893806480045383,3.5573642590673495,3.430519255372359,3.229070828203406,2.967707578707057,2.666371748436675,2.3492064760641473,2.0422809300647313,1.7694573019477888,1.8828945216687507,1.7889685131342319,1.6403407019587344,1.4496387234272883,1.2349633779829108,1.0180223019502863,0.8196272416646841,0.6541198608563717,3.6813199789964335,3.567149418287566,3.3865732083230973,3.154040823337434,2.889287506947244,2.6159896794824395,2.358588440125105,2.137101907303954,1.70587753842378,1.594221836316097,1.4177180051614175,1.1906845417310599,0.9327235700497444,0.6673179256006909,0.4184837406168096,0.20545790066560626,3.5782443345895194,3.453519595675242,3.255597663664482,2.9991729886467544,2.7042101605285316,2.3948454852764827,2.096960386365945,1.8338227839712584,1.844802615797453,1.7471464882300733,1.5927864534367964,1.394808121436116,1.1716814791795318,0.9455136078647962,0.7377881267073209,0.5637690066140515,3.7411247604735935,3.6330648865538384,3.4623370932559174,3.243023133775289,2.994490431736129,2.7399064744330506,2.5026524395140224,2.3008753294664164,1.650062982668942,1.532686302085905,1.3468820048974626,1.1072251819660492,0.8335793215034997,0.5498270501222274,0.28091665496434903,0.04787287528222482,3.5877679702755545,3.4934191174192724,3.326395621112751,3.0911021394921367,2.8064880163369814,2.5013945183490494,2.2077760234815313,1.9525228269141313,1.81406028373844,1.692388137564271,1.5072082681078076,1.2813677077409615,1.0396500877491814,0.8035951457510062,0.589340772750705,0.40793618807829224,0,0,0,0,0,2,10,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.071067811865477,5.914213562373096,3.8284271247461907,2.457106781186548,1.5606601717798214,0.9785533905932737,0.6035533905932737,0.36427669529663687,0.7559223176554565,0.5376557783975542,0.3828427124746191,0.2730118645762831,0.19508252147247768,0.13979334151332481,0.10059223176554562,0.07285533905932737,9.071067811865477,5.914213562373096,3.8284271247461907,2.457106781186548,1.5606601717798214,0.9785533905932737,0.6035533905932737,0.36427669529663687,0.7559223176554565,0.5376557783975542,0.3828427124746191,0.2730118645762831,0.19508252147247768,0.13979334151332481,0.10059223176554562,0.07285533905932737,19.04376144921635,36.54187909686818,34.43137254901961,34.879999999999995,22.381208383233552,292.62462155688627,0.5011516170846408,0.9616283972860047,0.9060887512899898,0.9178947368421051,0.5889791679798303,7.700647935707534,4.9272000000000045,57.51800000000005,49.62873849166897,78.97647876215954,99.25747698333791,8.271456415278161,49.62873849166897,0.0,0.0,0.0,68.7263116082826,5.72719263402355,5.076158542497369,182,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.558032193976458,0.0,14.441967806023545,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.279016096988229,0.0,1.3708677685950414,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.279016096988229,0.0,1.475907029478458,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.0,1.5833333333333333,0.2,2.279016096988229,0.2,1.3708677685950414,8.930098390301177,0.12913223140495866,0.27901609698822905,1.1160643879529162,0.12913223140495866,0.27901609698822905,1.1160643879529162,6.0,0.5,0.0,0.0,0.42632,0.7,0.42632,0.42632,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.16667,0.0,0.0,5.5,0.45833,5.5,0.45833,0.0,0.0,-5.5,-0.45833,0.0,0.0,13.87794,1.15649,13.87794,0.0,0.0,5.91421,0.49285,5.91421,0.0,0.0,-2.1E-4,-2.0E-5,-2.1E-4,-2.0E-5,0.0,11.0,0,0,0,0,0,0,1.0,0.8997437586982626,1.1050139971135324,1.8282344370732124,2.273728829005326,2.3598063039211006,2.2662704368960473,34.19026283053398,41.99053189031423,69.47290860878208,86.40169550220239,89.67263954900181,86.1182766020498,0.17144744404212792,0.2105619779013381,0.3483726542315676,0.4332622398424384,0.4496644242657694,0.43184103269158264,4.348183754745323,4.142913516330053,3.419693076370373,2.9741986844382593,2.8881212095224846,2.981657076547538,0.1727136602536098,0.21211707247524642,0.3509455424124879,0.4364620756578772,0.4529853975641061,0.4350303722552731,6.679290298877863,9.1425331598611,11.9597180685162,13.129040280482199,13.21579131439367,12.401181714054802,47.55009264780696,42.83293844949645,40.35187351810857,38.32249390726152,38.762776006948016,40.6655556524939,12.0,11.0,11.11111111111111,12,0,12,2.7800000000000002,1.7994000000000014,0.09090909090909091,4.4162504264120175,0.0,0.0,15.159595654909138,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.08499999999999999,0.064,0.12700000000000003,0.04000000000000001,5.7620000000000005,10.0,9.0,8.0,7.0,6.0,5.0,4.0,3.0,2.0,77.0,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,4.356708826689592,1.0,0.45454545454545453,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,0.8181818181818182,11.0,1.0,1,6.0,11.0,0.8333333333333334,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.045454545454545456,0.022222222222222233,0.013888888888888888,0.010000000000000002,0.007936507936507936,0.006802721088435375,0.00625,0.006172839506172837,0.006666666666666668,0.008264462809917356,0.13365885457335677,49.62873849166897,78.97647876215954,99.25747698333791,8.271456415278161,49.62873849166897,0.0,0.0,0.0,68.7263116082826,5.72719263402355,5.076158542497369,0.0,216.10827421120015,4.584962500721156,3.7612001156935624,4.394449154672439,5.043425116919247,5.6937321388027,6.35088571671474,7.007600613951853,7.668093709082406,8.327726166461412,8.989818381366925,80.23693111366529,3.1354942159291497,0.0,4.143134726391533,0.0,5.2832037287379885,0.0,6.484635235635252,0.0,7.720017940432244,8.070593539949519,170.203450832,4.479038179789473,22.82859467638218,1.902382889698515,0.0,0.0,0.0,286.0,9.0,7.167999999999999,42.0,1.2348918918918916,2.132503405867651,2.857894351206486,3.5980543021030935,4.9348206682429705,5.95069150924652,7.270218117609333,8.373373656604961,9.673339258253742,10.809467523439707,74.78950626099996,66.97813563920403,65.78900353987878,86.44758843528233,106.69097904976852,125.17927052040591,141.66439640627485,154.48754062694638,161.84966385160297,159.26347516464054,281.49802323071873,317.4695572113069,323.4163140904799,432.09744260339,546.9240989990737,655.7484842383984,761.0404990659133,854.3261575615943,932.3803457879483,979.088525082025,8.980981063891894,15.16284931023595,19.953980898236686,25.237092697098994,34.46214778175693,41.57275630793065,50.66838775790707,58.31671856428834,67.21803645009179,74.96591324405719,2.133680728183242,2.6825313553197776,2.8699065453099304,3.809702438614549,4.910188897500326,5.9167855229334,6.95981885127891,7.888285195877021,8.758169356189558,9.40010844265317,177.16881441328837,330.3118942309893,471.03360926071866,583.8691957298881,812.3618894120025,978.0537197994114,1204.2362325918225,1389.6785590920906,1616.8042189330545,1817.323534370807,2.343912162162162,3.3673614809700982,3.9913826105655277,5.202528275720356,6.934579334117186,8.418404997920426,10.155331325473997,11.722058116480547,13.448183523873725,15.044016991746835,0.44239682432432437,0.5674934132366835,0.613907708545217,0.8132511293410781,1.0520262260142517,1.2684509564566555,1.4958371006109779,1.6979540238146087,1.8908605905060512,2.036613950803798,565.9704829148156,376.07090856972854,14.186149967837657,175.8923076122722,-116.87531758459097,-10.441093815523358,390.07817530254346,492.9462261543195,24.627243783361017,0.7629045291686594,0.5069278488850115,0.01912233656813884,0.23709547083134075,-0.1575430377112619,-0.014074157578526134,419.8724418111486,278.9930136675961,10.524176801975802,130.48795815748917,-86.70544924704429,-7.745858994139277,0.03972893558919693,0.0980718268240334,0.6037942909467693,6.513886789920568,741.8627905270878,0.0,1.0,0.0,682.8972606076494,26.132303010022852,8.80613063078039,934.7601987341277,30.573848281401013,9.7776256140097,1112.8582778724879,33.359530540349155,10.362867696816702,3.9719168950788464,3.9719168950788464,3275.0799265807905,3239.7588672339157,75.35508720011194,1.010902372921671,43.46196186972132,42.99323360386349,5.853876813612153,8.108225633110866,14.981119257404517,0.847644593932784,7.251414389334918,10.433770512773409,3.8917445545073166,45.79180571363552,19.366221542556314,0.14359265716427846,7.538811728496068,9.307428061631535,30.314776736897503,1.333009131099582,2.1911468006482058,30.307114800936063,4.891994660836849,28.88687709368174,2.7067524568609658,0.7568233601492675,10.326266764716577,4.699808696333624,19.109476174362733,4.287084871199966,1.7469322568068117,2.8483918740329983,5.27830851191437,5.2227441094927745,5.795344081769427,2.233802734120392,1.989911868235921,0.1302727431305852,2.2901557243846753,4.057018452412124E-12,0.6085609611697146,10.433227886540074,0.2737140600581733,10.176001945712118,0.14022458844432828,0.0012723447324853414,1.1357647996588554,0.3398922482208947,8.480201019289607,0.04645854020748921,0.020306952471731157,1.9030833181065976,0.15278817568336325,6.595073365726808,0.11438593548178573,0.06654101724654984,0.3965766331716631,0.08700843132482564,4.082193118545371,0.18627977211190502,0.15916200909803513,0.057239026526076625,0.07090232762392165,1.6414414817474974,0.25181388910350305,0.18311134954461428,0.014214732921460754,0.010932692827776045,0.016129754022077263,2.857391268360948E-14,1.9645089664679047,10.433265169590317,0.9184351148107706,12.702438999061597,1.431202641136693,0.0109826862446613,2.4426332942919458,1.387943203440826,11.31344300365914,0.19307545075278199,0.16872370783317878,6.477607228831574,0.6630662620781419,10.163915812236743,0.443561114834862,0.19624807817009965,1.575074558090267,0.48343762050793926,6.580095964950736,0.7156615664766107,0.47620067423887313,0.301878819794781,0.4740485547419788,2.3724581808710803,0.9674370704616924,0.5715041767781868,0.1462593177847968,0.035292194153486965,0.16808447301576407,2.977622007656894E-13,6.844743662475724,10.433711299313492,3.6370693660698,41.93333580176479,17.257589648201996,0.1280379633154265,7.146775832323405,8.481649688893809,28.403682387143544,1.213212062722487,1.953995172225692,28.13546159855211,4.440158768698626,27.17500559194385,2.477302595393583,0.7106046037505477,9.418255337919232,4.224563299125025,17.98805139312225,3.92718954650463,1.6472328268971572,2.5625120056629465,4.726100729188942,5.003498084342805,5.308831051322946,2.097578177449413,1.77300632617896,0.1229667079445091,2.0404875195109144,3.6147304003952208E-12,2.8953247634265686,10.433312580532764,1.3888659115739517,15.845204490197862,3.099346739447676,0.02339105731831355,3.339796113333512,2.3397123255833434,13.7404731922743,0.32816482655056095,0.3581090757833666,9.981110779193845,1.1490771368702113,12.905209257227167,0.7289083795751404,0.28861172312610445,2.6359731296863727,0.9174376821884607,8.463920140925975,1.1704221192506554,0.6959337694459652,0.5663435090466078,0.946703008207284,2.874279272129047,1.582188032660655,0.8470897920832707,0.317439760976328,0.052014331233587695,0.36510193595153506,6.467792890218181E-13,8.757133046430084,10.434019268105299,4.872367763643936,61.983334978516886,28.231332396511245,0.2089532034328147,8.990396369092574,12.679190508349851,38.04288388357774,1.823156327052282,3.187585543363915,38.839156904197,6.748543555305009,35.619367250577305,3.63662996882115,0.9324470828830933,14.028991405017347,6.67839866983153,23.490356076350345,5.743202833510169,2.1189098366001438,4.037458719622137,7.587909569411454,6.034514869964705,7.763751637864806,2.7503103552007198,2.9019649056417594,0.15732384239684083,3.33997689157796,5.916780127867774E-12,4.672549992194708,9.93161899496979,2.243322925559163,23.99477828668947,7.735365755714076,0.057674353372843185,4.857630517420864,4.424364117591081,18.87115157885535,0.6278957116658876,0.8810145988527963,17.07234538028512,2.258364047958311,18.564886489231643,1.326991147084827,0.4407296426221404,5.1454714159542645,2.01456496898034,12.761777857228118,2.1150086271022803,1.0439424402155635,1.2756189018029769,2.192970545080454,4.690494317986259,2.8590948642036773,1.7047751426062618,0.7940607277558909,0.10392848563670273,0.9135247210841919,1.6183120696602381E-12,20.590873108005397,0.7927649964147654,0.5226735868421053,0.9399516175157154,0.036188885084246024,0.5574530631554744,0.6446196077296819,0.6315652984539877,21.906311691262268,27.500386273415593,57.93867704863159,0.9099274262735733,1.8336379693391438,18.91671344743729,0.3250436136717392,0.1175325177315955,0.9771388237362252,0.016790058971327456,0.4705913529369791,0.10833947504755649,0.03193546404768521,19.359289578840624,8.41028905071965,28.492257508672086,0.9657082356043377,0.6108662920322209,19.598511424133427,0.5156434689264371,0.2825483067409848,0.9608666279129259,0.0252807261975294,0.5050740178770694,0.27278948314098406,0.18456212000008126,20.39670319980085,15.789064823094526,39.041157250975054,0.9412999418693888,0.9624256210181348,20.551087342182097,0.7816610273201894,0.5130476920353982,0.9407341936311907,0.03578084429234435,0.5553031303496339,0.6267075790932568,0.6085168782895435,21.845796061537687,27.008701360182055,57.096087360611605,0.911101290446786,1.7905275877324343,19.895125302198366,0.5985098874413772,0.3543277613203498,0.9542958872767066,0.028708314996972625,0.5204579762987921,0.3675259333089255,0.29024684844031323,20.847962950960092,19.168893083311833,44.235988767649005,0.9314438309150598,1.1782307580480307,20.714910074420423,0.827379686080219,0.5526828638564938,0.9375395220713985,0.037446513292717504,0.5641825264086964,0.7020660840427919,0.7061698165253169,22.094972624357137,29.045150193413853,60.61260736541584,0.9063092831070978,1.9724184269768053,20.619466386911085,0.7834923743771589,0.5148250739184842,0.9407642005205772,0.03574687935002937,0.5589990817920677,0.6295973283698888,0.6127404246004714,21.917783835206727,27.173974504225473,57.40885763363464,0.9111463007808658,1.8013368347624277 +UMLCN0297,L,"2,4-dimethylpentane",CC(C)CC(C)C,Alkanes,,C7H16,NREL (2014),IQT,PubChem,,28.6,0,1.2082000000000006,1.4597472400000016,33.400999999999996,22.988687999999986,0,0,23,7,16,0,7,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1026.105871,1059.2981339999997,1289.4136149999981,1004.9544999999997,814.4606440000008,302.76288000000034,36.578304,0.0,0.0,3461.9582231401955,4376.8872724242765,5892.912549998806,6092.452474489829,4866.454479455616,3126.683726063614,1119.0147995134885,0.0,0.0,160.27903600000002,159.12520800000004,296.71154800000005,379.656976,432.9381279999998,251.4447360000002,241.86470400000016,0.0,0.0,26.63610647758398,34.55010896000001,49.80024258303705,56.12991301758408,48.090663868507086,32.060418298188,16.00606457456401,0.0,0.0,3846.242925017985,3210.7268999464013,6660.186018629039,8672.026478986587,10908.59722480911,5893.95296940059,6657.035472872964,0.0,0.0,37.80555555555556,44.333333333333336,67.11111111111113,87.33333333333334,83.0,60.0,36.0,0.0,0.0,44.613298739130435,48.149915181818166,30.700324166666622,18.610268518518513,12.927946730158743,8.41008000000001,1.016064,0.0,0.0,150.5199227452259,198.94942147383074,140.30744166663823,112.82319397203388,77.2453091977082,86.85232572398928,31.083744430930235,0.0,0.0,6.968653739130436,7.232964000000002,7.064560666666668,7.030684740740741,6.872033777777775,6.984576000000006,6.718464000000004,0.0,0.0,1.158091585981912,1.5704594981818187,1.185720061500882,1.0394428336589645,0.7633438709286839,0.8905671749496666,0.4446129048490003,0.0,0.0,167.22795326165152,145.9421318157455,158.57585758640568,160.59308294419606,173.1523369017319,163.72091581668303,184.917652024249,0.0,0.0,1.643719806763285,2.015151515151515,1.5978835978835984,1.617283950617284,1.3174603174603174,1.6666666666666667,1.0,0.0,0.0,0.03180922121102681,-0.0067164782581084805,0.0011975018070250715,-0.024035702460642926,0.020938684079566602,-0.026591974374872665,0.019303358601518977,0.0,0.0,589.5388264347827,-58.587709459356645,-8.010038402646042,-457.7164801512279,306.4411834612469,-480.60230415878976,403.7059354933826,0.0,0.0,1096.27262196491,-108.94634752446328,-14.895008450610387,-851.1433400348685,569.840466153344,-893.7005070366117,750.7084259107536,0.0,0.0,0.115486608695652,-0.01147693005670851,-0.0015691115311893102,-0.0896635160680514,0.06002972400755912,-0.09414669187145511,0.07908322117201916,0.0,0.0,4.9008486914386085,-0.4870408637454439,-0.0665876180901932,-3.8050067480113343,2.547452017793585,-3.9952570854119056,3.3560159517459915,0.0,0.0,26.621487874186396,-2.6456137017825236,-0.36170499829058755,-20.6688570451758,13.837799791745208,-21.702299897434575,18.229931913845064,0.0,0.0,3.311594202898553,-1.8656794791010285,1.5131274942239024,-3.1301197227473194,3.5849086326402047,-3.574669187145555,1.8166351606805262,0.0,0.0,0.001383009617870731,-3.052944662776582E-4,2.8511947786311225E-5,-4.4510560112301714E-4,3.323600647550254E-4,-7.38665954857574E-4,5.362044055977494E-4,0.0,0.0,25.63212288846881,-2.6630777026980295,-0.19071520006300102,-8.476231113911629,4.864145769226141,-13.350064004410827,11.214053763705072,0.0,0.0,47.664027041952615,-4.952106705657422,-0.35464305834786636,-15.761913704349418,9.045086764338793,-24.825014084350325,20.853011830854268,0.0,0.0,0.005021156899810956,-5.216786389412958E-4,-3.735979836165024E-5,-0.0016604354827416926,9.528527620247479E-4,-0.0026151858853181976,0.002196756143667199,0.0,0.0,0.21308037788863515,-0.02213822107933836,-0.0015854194783379333,-0.07046308792613581,0.04043574631418389,-0.11097936348366405,0.09322266532627754,0.0,0.0,1.1574559945298433,-0.12025516826284198,-0.008612023768823513,-0.38275661194769994,0.21964761574198743,-0.602841663817627,0.5063869976068074,0.0,0.0,0.14398235664776318,-0.08480361268641039,0.0360268451005691,-0.05796518005087629,0.0569033116292096,-0.09929636630959876,0.050462087796681286,0.0,0.0,-0.2207464520367449,0.020615870936753107,-0.3218383989319594,0.24031652452766303,-0.5341003745113626,0.3877083706932456,0.0,0.0,-0.10389610389610278,-0.007440476190475763,-0.3306878306878301,0.18976757369614466,-0.5208333333333329,0.4374999999999987,0.0,0.0,-0.10389610389610406,-0.007440476190476288,-0.33068783068783086,0.18976757369614503,-0.5208333333333335,0.43749999999999994,0.0,0.0,-0.10389610389608354,-0.007440476190468538,-0.33068783068782553,0.1897675736961381,-0.5208333333333316,0.4374999999999812,0.0,0.0,-0.10389610389610221,-0.007440476190475599,-0.33068783068783,0.1897675736961445,-0.5208333333333329,0.43749999999999845,0.0,0.0,-0.10389610389610486,-0.007440476190476428,-0.3306878306878311,0.18976757369614553,-0.5208333333333336,0.43750000000000083,0.0,0.0,-0.5889861415025522,0.25021708172692836,-0.40258529864656717,0.39521030877704844,-0.6896425966447839,0.35047410649161115,0.0,0.0,1.7581719206148396,1.032756391085613,1.4468903742338877,0.5030499271813356,1.6977839916617745,0.0,0.0,0.0,1.6428571428571437,1.1832482993197286,1.4222883597883607,0.5736961451247168,1.5059523809523818,0.0,0.0,0.0,1.6428571428571428,1.1832482993197277,1.4222883597883593,0.5736961451247166,1.5059523809523807,0.0,0.0,0.0,1.6428571428571432,1.183248299319728,1.4222883597883598,0.5736961451247167,1.5059523809523812,0.0,0.0,0.0,1.6428571428571432,1.1832482993197282,1.42228835978836,0.5736961451247167,1.5059523809523814,0.0,0.0,0.0,1.642857142857144,1.1832482993197289,1.4222883597883602,0.5736961451247169,1.505952380952382,0.0,0.0,0.0,2.197665937272063,0.5755791740474447,1.5378069535618761,0.2811989857941717,2.2144420131291014,0.0,0.0,0.0,28.351942130093807,14.1759710650469,21.640072680184655,28.3519421300938,4.050277447156257,14.175972910950268,-7.105427357601002E-15,0.0,0.0,0.0,2000010.5285921034,285715.7897988719,10.15606410196449,28.351942130093807,14.1759710650469,21.640072680184655,28.3519421300938,4.050277447156257,14.175972910950268,-7.105427357601002E-15,0.0,0.0,0.0,2000010.5285921034,285715.7897988719,10.15606410196449,28.351942130093807,14.1759710650469,21.640072680184655,28.3519421300938,4.050277447156257,14.175972910950268,-7.105427357601002E-15,0.0,0.0,0.0,2000010.5285921034,285715.7897988719,10.15606410196449,28.351942130093807,14.1759710650469,21.640072680184655,28.3519421300938,4.050277447156257,14.175972910950268,-7.105427357601002E-15,0.0,0.0,0.0,2000010.5285921034,285715.7897988719,10.15606410196449,28.351942130093807,14.1759710650469,21.640072680184655,28.3519421300938,4.050277447156257,14.175972910950268,-7.105427357601002E-15,0.0,0.0,0.0,2000010.5285921034,285715.7897988719,10.15606410196449,28.351942130093807,14.1759710650469,21.640072680184655,28.3519421300938,4.050277447156257,14.175972910950268,-7.105427357601002E-15,0.0,0.0,0.0,2000010.5285921034,285715.7897988719,10.15606410196449,37.48986373543582,18.623900121686173,29.28763256709068,37.316961241104764,5.330994463014967,18.623900139514472,-0.24206349206347255,1.6653345369377348E-16,2.3790493384824782E-17,-25.43193482309826,2000010.2022035578,285715.74317193683,10.156063987729093,0,11.889999999999997,12.11009425580983,-0.16461530407139624,0.056093614941176,5.749051431582622,7.648782393821565,6.0,22.0,22.0,22.0,6.0,0.0,0.0,0.0,0.0,0.0,17.491311999999997,3.5266482568552804,3.1125998766762324,2.3335527931030478,2.3335527931030464,2.181727047332505,1.1628377907398895,0.9025870105527269,0.08392307051869151,1.9266882760429127,1.667247237489143,1.2496297225843553,1.2496297225843551,1.0844387414685328,0.4403442888895924,0.3480660856729887,0.08392307051869097,3.5533673242586135,3.1507138345875383,2.405454587841289,2.4054545878412887,2.2508214560767406,1.269690915589076,1.0319793757821962,0.2709139018929377,1.8677208576342215,1.5885766696580805,1.1345406859483513,1.134540685948351,0.9692452565818074,0.2900002767326535,0.18646033622270905,0.27091390189293674,3.67134812041964,3.318028628441953,2.70423698723352,2.7042369872335184,2.5420335572392454,1.7027021271007752,1.53720927175353,0.943918426802623,1.694987867815454,1.3512179951585752,0.760318560430898,0.7603185604308974,0.5972919185346326,0.21832409322109553,0.3734441173455394,0.9439184268026214,3.573079272212479,3.178805544111846,2.4575399160416938,2.457539916041693,2.3011389185206834,1.3465506406215018,1.1237951848154755,0.39927724550898236,1.8302288796261328,1.5379078067250227,1.0582626705327134,1.0582626705327132,0.8930655865736975,0.18889388699036044,0.07688717282186244,0.3992772455089814,3.729063388314582,3.398793114336882,2.8389820851496497,2.838982085149649,2.675051040490036,1.891182113605947,1.7492631293248346,1.2076448229620897,1.6413834561849918,1.2757669623783703,0.6313372621875615,0.6313372621875613,0.47045338684358073,0.4010813803597136,0.5813937537853744,1.2076448229620875,3.5448754625440655,3.234857963976209,2.6187912295903693,2.6187912295903684,2.361003521754911,1.3969346383096644,1.2084614789987815,0.5753424657534252,1.8459449227200324,1.46608629604835,0.8927638323300946,0.8927638323300938,0.8003298117750456,0.09721315555258922,0.03878358626581481,0.5753424657534238,0,0,0,0,0,4,1,2,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8164965809277261,0.0,0.0,0.0,0.8164965809277261,0.0,0.0,0.0,0.47140452079103173,0.9428090415820635,0.23570226039551587,0.47140452079103173,0.9428090415820635,0.23570226039551587,5.8618073195657985,3.1258976576862296,3.02339596063022,0.9428090415820635,0.9428090415820635,0.0,0.0,0.0,0.8374010456522569,0.520982942947705,0.43191370866146,0.23570226039551587,0.23570226039551587,0.0,0.0,0.0,5.8618073195657985,3.1258976576862296,3.02339596063022,0.9428090415820635,0.9428090415820635,0.0,0.0,0.0,0.8374010456522569,0.520982942947705,0.43191370866146,0.23570226039551587,0.23570226039551587,0.0,0.0,0.0,11.334622430286998,22.102694828841948,20.80392156862746,21.080000000000002,13.388435928143707,177.48334610778446,0.4928096708820434,0.9609867316887803,0.9045183290707591,0.9165217391304349,0.5821059099192916,7.716667222077585,2.6885000000000012,34.292999999999985,14.1759710650469,21.640072680184655,28.3519421300938,4.050277447156257,14.175972910950268,0.0,0.0,0.0,2000010.5285921034,285715.7897988719,10.15606410196449,38,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,1.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.055555555555555,0.0,1.3611111111111112,0.0,0.0,0.0,1.7499999999999996,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.263888888888889,0.0,1.3611111111111112,0.0,0.0,0.0,0.8749999999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.263888888888889,0.0,1.3611111111111112,0.0,0.0,0.0,0.8749999999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.166666666666666,1.738095238095238,0.2,2.263888888888889,0.2,0.8749999999999998,5.311805555555555,0.4583333333333334,0.2638888888888889,2.111111111111111,0.4583333333333334,0.2638888888888889,2.111111111111111,3.5,0.5,0.0,0.0,0.42174,0.7,0.42174,0.42174,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.57143,0.28571,0.0,3.0,0.42857,3.0,0.42857,0.0,0.0,-3.0,-0.42857,0.0,0.0,7.47656,1.06808,7.47656,0.0,0.0,3.12588,0.44655,3.12588,0.0,0.0,0.28812,0.04116,0.28812,0.04116,0.0,6.0,0,0,0,0,0,0,1.0,0.8865408928220899,1.3061706517091867,2.04445108611554,2.04445108611554,1.8477744793304525,1.2349810956683633,20.39044053490807,30.041924989311294,47.02237498065742,47.02237498065742,42.49881302460041,28.404565200372357,0.19598292262472913,0.2887482617454227,0.45195602624123155,0.45195602624123155,0.4084777653716663,0.27301076179905825,3.637021063234923,3.217391304347826,2.479110869941473,2.479110869941473,2.6757874767265606,3.2885808603886497,0.1988013201316891,0.2929007020200308,0.4584555299763243,0.4584555299763243,0.4143520155367,0.2769368837290852,6.634953581644547,11.67051068828971,12.414568190720267,12.414568190720267,10.054448909299218,6.068894351577366,27.765075162887893,21.21742031364256,22.491983638261004,22.491983638261004,21.31192399755048,17.022370311915854,7.0,3.061224489795918,6.0,7,0,5,2.23,1.0949000000000004,1.88988157484231,1.9999999999999996,4.618802153517007,0.0,0.0,2.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.121,0.10400000000000001,0.049000000000000044,0.010000000000000009,2.811,7.0,4.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,28.0,1.9459101490553132,2.0794415416798357,1.6094379124341003,1.6094379124341003,0.0,0.0,0.0,0.0,0.0,0.0,3.367295829986474,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.3333333333333333,6.0,1.0,0,2.0,4.0,1.0,2.5,0.44444444444444464,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4166666666666667,0.06349206349206352,0.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6051587301587302,14.1759710650469,21.640072680184655,28.3519421300938,4.050277447156257,14.175972910950268,0.0,0.0,0.0,2000010.5285921034,285715.7897988719,10.15606410196449,0.0,129.62835108186675,3.807354922057604,3.295836866004329,3.8918202981106265,4.653960350157523,5.262690188904886,6.0330862217988015,6.645090969505644,7.417580402414544,8.030409562130485,8.803424211600703,67.03389907062754,2.5649493574615367,0.0,3.713572066704308,0.0,4.976733742420574,0.0,6.300785794663244,0.0,7.655864017616056,7.958576903813898,100.12520051199999,4.353269587478261,12.5091624342836,1.787023204897657,0.0,0.0,0.0,48.0,4.0,4.201,26.0,1.2248181818181816,2.110657079237113,2.894964612068071,3.4592295157351445,4.302684991839985,4.961617097221267,0.0,0.0,0.0,0.0,69.72220730918178,74.05869282825935,59.19211135027032,52.69936513421234,38.59170012607586,5.041320514271031,0.0,0.0,0.0,0.0,268.7875960232532,322.83051050858626,342.2742041482653,291.6801335311936,391.84350210199676,154.22563781415997,0.0,0.0,0.0,0.0,8.893455721090907,14.972319113429483,20.390965855571906,23.83418797206444,30.13901462034475,33.33444584946559,0.0,0.0,0.0,0.0,2.0597711487490895,2.6662754483524673,3.1061365976707163,2.795064770777662,3.9769292024220997,2.205998990344011,0.0,0.0,0.0,0.0,176.6115070737156,330.26567456207675,462.1949755887313,594.3973486978276,697.5427907299957,917.4905838615268,0.0,0.0,0.0,0.0,2.5161969696969693,3.517174070315658,4.759650394438915,4.723785449485649,7.388053556773842,4.961617097221267,0.0,0.0,0.0,0.0,0.4279111363636364,0.5623821111660176,0.665084540321953,0.6067940765218183,0.865141657699313,0.5080695907554579,0.0,0.0,0.0,0.0,372.2477062229362,145.3219568260701,8.886691416340803,126.29778426084123,-49.305451302338774,-7.265832583247286,245.94992196209495,194.6274081284089,16.152523999588087,0.7466674823629742,0.291491869047001,0.017825236785749193,0.2533325176370258,-0.09889860051586037,-0.014574061388453607,185.58241528037482,72.44960624391545,4.4304199309376,62.965190801335396,-24.581010403048488,-3.6223480689880296,0.07529428301984528,0.16021453373641104,0.9261090524208664,9.165087943938016,498.5454904837774,0.0,1.0,0.0,372.4894148768997,19.299984841364505,7.195118958220815,527.481992185502,22.966976121934337,8.079836002258588,621.9030979871213,24.93798504264371,8.535734669923686,1.4043103754928463,1.4043103754928463,364.3162778506397,345.28603340167456,119.05522664554763,1.0551144344342103,3.0600611843383043,2.9002173455993114,3.9332287776524915,3.220223780314462,6.424248771333048,0.9949696696872741,4.462408854974314,5.691203506402945,2.797575607806219,18.209122186903013,5.9884819347894656,11.66874288594321,6.912930955508153,12.275982571723876,4.238511115592298,6.905147207325773,1.6059459214795573,1.126710555619561,8.026179379330098E-15,1.1027775070766132E-50,2.922421574368591E-108,1.4937356959976128E-187,1.4725857105471169E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3744990530265003,5.690852012323694,0.1617936748286924,7.555440401455878,1.0378948449462777,1.45106090209943,0.3652825010779527,0.5925207064876128,1.0574602187462212,0.08577844068288172,0.011311876799740696,0.007935514569038505,5.652903763146804E-17,7.766952151257983E-53,2.0582854100911538E-110,1.0520502642636408E-189,1.0371541565773973E-290,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2089285947484625,5.690876129816137,0.5703832209503539,9.236120945371356,1.3850420084929762,2.7960944720830696,1.1222308300050867,2.1207278547634436,1.4324290865013491,0.6022312316776522,0.11787008941224654,0.08269418012327369,5.890761562370021E-16,8.093762976769341E-52,2.1448920919542476E-109,1.0963174888644457E-188,1.0807945961594407E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.212149946137888,5.691165138291329,2.5904269722829323,17.38216366249343,5.450731075679679,10.781219315274143,6.307057246524108,11.257679791012093,3.9467130085038895,6.177938327258143,1.4308696389547424,1.0038788202756972,7.151181327321846E-15,9.825549049035864E-51,2.6038250088215056E-108,1.3308916125998413E-187,1.312047356338111E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7817383159537945,5.69090682803457,0.8892975039967422,10.536523300654189,1.8203168896633173,3.9393212283611128,1.8139373627499618,3.4241472628839245,1.771294080094498,1.2167216032450356,0.25602695578781004,0.1796228093721696,1.2795521276069771E-15,1.7580734727794887E-51,4.658992238421625E-109,2.3813480830224867E-188,2.347630285795412E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.389004951648263,5.6913646980419985,3.6165425499101365,21.46939034193988,8.245992229476007,15.252329510229417,9.38900630710171,16.390389506697467,5.429108477009972,9.94935180687343,2.3421177124468717,1.6432014553409464,1.1705428311790764E-14,1.6082973533066026E-50,4.26207721244045E-108,2.1784731289823603E-187,2.147627862911711E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.7388672851220663,4.604911638021253,1.1946707204430478,12.634720085566293,2.562279928547451,6.564074637029091,2.71696067237058,5.292805326990082,2.7588772062738918,2.4456679455550634,0.5316031373517316,0.3729625483416975,2.6568174939272463E-15,3.650402556733245E-51,9.673769294776123E-109,4.944548259973334E-188,4.874537799596763E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.656836928100027,1.1975442257033664,0.9730519218872676,0.6275210509674747,0.20550115465057225,0.5597653968343371,0.46076099884428756,0.5131769807087653,5.827433075690661,9.102788858866747,19.191434213129764,0.44128157645121197,1.5337033763873902,2.9489104441486758,0.6895391642769028,0.4994106197280346,0.71266555213358,0.16664148285757524,0.3633783536788494,0.15276028690305685,0.13510882247162445,4.137860228153613,3.850469616978751,9.003826027220057,0.56899832820037,0.6512474630535308,3.242065490986544,0.8999544005183953,0.6956598795159279,0.6701695119233554,0.18603017213115022,0.4395388916685109,0.26021576159870996,0.26227934973283024,4.837679771020867,5.799148164059075,12.666562491112389,0.505254267885033,0.9620340030000512,3.64047253925456,1.1858054912268332,0.962113215625316,0.6289264813782505,0.2048592503183695,0.5547447616885844,0.45177220043252214,0.501708400172275,5.78839124610671,8.96031820311682,18.90204860814346,0.4433897220673758,1.5082253622933814,3.3674959687610664,0.9899618122951329,0.7795774306133195,0.6555329737883268,0.19271073128840763,0.47435396195860596,0.3148686869766921,0.3294012073529606,5.137035211669519,6.730668153093068,14.466574729866993,0.4832994606824902,1.1186238562882587,3.707715601461166,1.234040061052467,1.0070588267418374,0.6232696629148388,0.2074430230227123,0.575520680376261,0.4892728375751561,0.5496554122971921,5.94881448925547,9.552108246728134,20.108689770254465,0.4349044943722581,1.6144489302486091,3.6512449791740815,1.1886455250164458,0.964571618602987,0.6290410553005463,0.20478133888560657,0.5580764256427668,0.4539388032865827,0.5042662881948894,5.804462122793514,9.008457022722322,18.999194699879673,0.44356158295081943,1.516281517124239 +UMLCN0298,L,"2,2,5-trimethylhexane",CC(C)CCC(C)(C)C,Alkanes,,C9H20,NREL (2014),"20% Blend, CFR",PubChem,,24,0,2.4470999999999994,5.988298409999997,42.7118,29.175859999999968,0,0,29,9,20,0,9,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1318.698368999998,1396.2547279999994,1918.9627069999974,1531.5602459999975,1105.1972449999935,1113.9942299999968,444.99974399999996,54.867456000000004,0.0,4433.327004362573,5682.8675414050085,8170.261600201918,9109.883627675146,7214.43115568337,5538.8728380932125,4410.271889217043,1678.5221992702322,0.0,202.2339240000001,202.6767680000001,382.2179959999999,510.2167920000004,679.6165640000005,374.9143919999999,316.7009280000001,362.79705599999994,0.0,33.992358096979984,44.58208620000001,67.188471442433,82.20014759818794,73.13032958973204,50.11558472547008,44.089111303641054,24.009096861845986,0.0,4839.502245294981,4076.805802978001,8519.524241937635,11248.395537327588,17189.558358634327,9064.50155609967,7176.6705858826435,9985.553209309446,0.0,47.84027777777778,56.291666666666664,87.79166666666666,125.83333333333333,124.75,79.5,81.0,54.0,0.0,45.472357551724066,49.86624028571426,35.53634642592588,21.271670083333298,11.16360853535347,20.62952277777772,9.888883199999999,1.016064,0.0,152.87334497801973,202.95955505017886,151.30114074447997,126.52616149548814,72.8730419765997,102.57171922394838,98.00604198260096,31.083744430930228,0.0,6.9735835862068996,7.238456000000004,7.0781110370370355,7.086344333333339,6.8648137777777825,6.942859111111109,7.037798400000002,6.718463999999999,0.0,1.1721502792062064,1.5922173642857147,1.244230952637648,1.1416687166414992,0.7386901978760813,0.9280663838050015,0.9797580289698012,0.44461290484899973,0.0,166.87938776879244,145.60020724921432,157.76896744328954,156.2277157962165,173.63190261246794,167.8611399277717,159.48156857516986,184.917652024249,0.0,1.6496647509578544,2.0104166666666665,1.6257716049382713,1.7476851851851851,1.2601010101010102,1.4722222222222223,1.8,1.0,0.0,0.039070905884120134,-0.008893289677742451,0.013966006954972146,-0.04826557001535592,0.01855514670730858,0.02099854651780884,-0.04536697032675769,0.029470676897706497,0.0,751.4441937931031,-57.58193055885779,157.91844455766991,-913.8252379690825,407.1042490511284,228.88817397146227,-827.884206609987,629.6584106611161,0.0,1397.3425661744839,-107.07605871068859,293.6560910140633,-1699.2970517386293,757.0277350845683,425.62733337498713,-1539.4860341129263,1170.876702001379,0.0,0.14720275862068952,-0.011279904875145689,0.030935139120097377,-0.17901209036860502,0.07974892746729674,0.04483762187871522,-0.16217683234244784,0.12334575980974476,0.0,6.246771423200696,-0.4786798025440945,1.3127793584772482,-7.5966484663750595,3.384266203986858,1.90275221511285,-6.882218861077984,5.234363640819853,0.0,33.932561514511015,-2.6001962846371285,7.131038310616372,-41.26511503718729,18.38338773238295,10.33578023143156,-37.38432208236658,28.433146372504563,0.0,4.1791187739463584,-2.5766778966838397,3.4452041220768908,-5.340542013476012,1.0968588981371339,4.356123662306775,-5.853373959571932,2.782847800237805,0.0,0.0013472726166937976,-3.176174884908018E-4,2.586297584254101E-4,-6.703551391021655E-4,1.874257243162483E-4,3.888619725520156E-4,-0.0010081548961501708,5.457532758834536E-4,0.0,25.911868751486313,-2.056497519959207,2.9244156399568504,-12.692017194015035,4.11216413182958,4.238669888360413,-18.397426813555267,11.660340938168817,0.0,48.18422641980979,-3.8241449539531636,5.43807575951969,-23.601347940814296,7.646744798834024,7.881987655092354,-34.21080075806503,21.682901888914426,0.0,0.00507595719381688,-4.0285374554091747E-4,5.7287294666847E-4,-0.0024862790328972918,8.055447218918863E-4,8.303263310873188E-4,-0.003603929607609952,0.0022841807372174956,0.0,0.21540591114485158,-0.01709570723371766,0.024310728860689784,-0.10550900647743139,0.03418450711097836,0.03523615213171944,-0.15293819691284408,0.09693266001518247,0.0,1.1700883280865868,-0.0928641530227546,0.1320562650114143,-0.5731265977387124,0.18569078517558535,0.19140333761910297,-0.8307627129414795,0.5265397476389734,0.0,0.14410754392918476,-0.09202421059585142,0.06380007633475723,-0.07417419463161129,0.011079382809465998,0.08066895670938472,-0.13007497687937625,0.051534218522922316,0.0,-0.23574849258811037,0.19196542349393744,-0.49756458403141507,0.13911492150429836,0.2886290181613589,-0.7482931692207769,0.40508006258060103,0.0,-0.07936507936507843,0.11286008230452714,-0.48981481481481404,0.158698092031425,0.16358024691358014,-0.7099999999999994,0.44999999999999907,0.0,-0.07936507936507949,0.11286008230452686,-0.489814814814816,0.15869809203142562,0.1635802469135805,-0.7100000000000016,0.45000000000000046,0.0,-0.07936507936505872,0.11286008230453506,-0.4898148148148049,0.15869809203141738,0.16358024691357823,-0.7099999999999935,0.44999999999998025,0.0,-0.07936507936507603,0.11286008230452794,-0.4898148148148123,0.15869809203142385,0.16358024691357975,-0.7099999999999975,0.44999999999999657,0.0,-0.07936507936508758,0.11286008230452334,-0.4898148148148188,0.1586980920314284,0.16358024691358095,-0.7100000000000025,0.45000000000000795,0.0,-0.6385801054320419,0.44272544375684414,-0.5147141683856669,0.07688273984400475,0.5597830239132094,-0.9026243410497358,0.3576094430437765,0.0,1.7678272134995114,0.8600074526542758,1.7515582090769821,0.5914612152333091,0.6046268028641953,2.0609435396474853,2.365885627111468E-5,0.0,1.611111111111113,1.0860082304526761,1.6916666666666689,0.5923681257014597,0.7518518518518527,1.8044444444444465,0.0,0.0,1.6111111111111123,1.0860082304526757,1.6916666666666673,0.5923681257014595,0.7518518518518524,1.8044444444444454,0.0,0.0,1.6111111111111103,1.0860082304526741,1.6916666666666669,0.5923681257014586,0.7518518518518514,1.8044444444444432,0.0,0.0,1.6111111111111098,1.0860082304526741,1.691666666666663,0.5923681257014586,0.7518518518518512,1.804444444444442,0.0,0.0,1.611111111111111,1.0860082304526746,1.6916666666666647,0.5923681257014588,0.7518518518518518,1.804444444444443,0.0,0.0,2.2466192986477203,0.3825604196908347,1.8426875620750256,0.5505768202307284,0.27141110856444356,2.679990831996334,0.0,0.0,44.93236025441672,22.46618012720836,34.616844750355455,44.93236025441672,4.992484472712969,22.466180127763238,0.0,0.0814466936074476,0.009049632623049733,-2.2570258850065787,33.80823996204667,3.7564711068940744,3.1686341027736584,44.93236025441672,22.46618012720836,34.616844750355455,44.93236025441672,4.992484472712969,22.466180127763238,0.0,0.0814466936074476,0.009049632623049733,-2.2570258850065787,33.80823996204667,3.7564711068940744,3.1686341027736584,44.93236025441672,22.46618012720836,34.616844750355455,44.93236025441672,4.992484472712969,22.466180127763238,0.0,0.0814466936074476,0.009049632623049733,-2.2570258850065787,33.80823996204667,3.7564711068940744,3.1686341027736584,44.93236025441672,22.46618012720836,34.616844750355455,44.93236025441672,4.992484472712969,22.466180127763238,0.0,0.0814466936074476,0.009049632623049733,-2.2570258850065787,33.80823996204667,3.7564711068940744,3.1686341027736584,44.93236025441672,22.46618012720836,34.616844750355455,44.93236025441672,4.992484472712969,22.466180127763238,0.0,0.0814466936074476,0.009049632623049733,-2.2570258850065787,33.80823996204667,3.7564711068940744,3.1686341027736584,44.93236025441672,22.46618012720836,34.616844750355455,44.93236025441672,4.992484472712969,22.466180127763238,0.0,0.0814466936074476,0.009049632623049733,-2.2570258850065787,33.80823996204667,3.7564711068940744,3.1686341027736584,60.71954154684735,30.19919978576936,47.58831528942802,60.46976445494064,6.718862717215627,30.19919978576955,-0.3211419753086311,0.07220628726776113,0.008022920807529014,-2.3654053400434027,35.083793172960185,3.8981992414400204,3.2019653617886097,0,11.889999999999999,12.110134441590947,-0.15944503774944926,0.061815109808701474,5.833343750000001,8.90430740402473,8.0,28.0,28.0,28.0,8.0,0.0,0.0,0.0,0.0,0.0,21.864139999999995,3.591887365855594,3.3064306883621635,2.5892258629471736,2.3335527931030495,2.3335527931030473,2.3335527931030464,1.684383188178773,0.9875765029054504,1.9579724045350677,1.773603563577478,1.3244689746320477,1.249629722584356,1.2496297225843556,1.249629722584355,0.7682442799331793,0.3804266465574576,3.615774919464129,3.3374754896755503,2.6424170779750535,2.4054545878412896,2.405454587841288,2.4054545878412874,1.770231442998209,1.109347444582342,1.9029257172161007,1.7050606383145654,1.2257028767696232,1.134540685948351,1.13454068594835,1.13454068594835,0.6346525799082254,0.22223362432311566,3.722242308016885,3.4753256072679832,2.871922809763478,2.7042369872335192,2.704236987233519,2.704236987233519,2.127319530766013,1.5916648574560346,1.7437678402266068,1.503024705316412,0.9165263325985588,0.7603185604308981,0.760318560430898,0.7603185604308971,0.19406261793387647,0.3221440743945154,3.633450986869734,3.360432046781487,2.681436754652523,2.4575399160416946,2.457539916041693,2.457539916041693,1.832519943189761,1.1962467510192836,1.868108985793366,1.6613331132312692,1.161141482119426,1.058262670532712,1.0582626705327116,1.0582626705327116,0.5455996913826219,0.11521116784295549,3.774907100143351,3.5429569172465345,2.9798808146562275,2.8389820851496514,2.83898208514965,2.8389820851496492,2.287406508373467,1.7965749344204833,1.6950493862454445,1.4402356180944569,0.8146578012887976,0.6313372621875626,0.6313372621875599,0.6313372621875599,0.0403597203487435,0.5223851994970704,3.600743018246845,3.382988800326012,2.7209595828813433,2.622268059633965,2.6222680596339627,2.6222680596339614,1.875216435711886,1.272179231232682,1.8907874754038403,1.621832559913444,1.086393283375192,0.8896477387783488,0.8896477387783488,0.8896477387783477,0.46173621365553214,0.004470493771645046,0,0,0,0,0,5,2,1,1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9689084622436843,0.35355339059327373,0.0,0.0,1.9689084622436843,0.35355339059327373,0.0,0.0,1.0386751345948129,0.8273502691896258,1.4433756729740648,1.0386751345948129,0.8273502691896258,1.4433756729740648,7.49156383156272,3.9165022194363885,4.4931821564919865,1.4716878364870323,0.7216878364870323,0.8660254037844387,0.0,0.0,0.8323959812847467,0.48956277742954857,0.4084711051356351,0.24528130608117205,0.14433756729740646,0.14433756729740646,0.0,0.0,7.49156383156272,3.9165022194363885,4.4931821564919865,1.4716878364870323,0.7216878364870323,0.8660254037844387,0.0,0.0,0.8323959812847467,0.48956277742954857,0.4084711051356351,0.24528130608117205,0.14433756729740646,0.14433756729740646,0.0,0.0,14.418278037858748,27.878368536052434,26.254901960784323,26.599999999999994,16.985544910179637,223.53985628742518,0.4971820013054741,0.9613230529673253,0.9053414469235974,0.9172413793103447,0.5857084451786082,7.708270906462937,3.468700000000003,43.52700000000001,22.46618012720836,34.616844750355455,44.93236025441672,4.992484472712969,22.466180127763238,0.0814466936074476,0.009049632623049733,-2.2570258850065787,33.80823996204667,3.7564711068940744,3.1686341027736584,65,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.469861111111111,0.0,2.716435185185185,0.0,0.0,0.0,0.865023148148148,0.0,0.0,0.0,0.0,0.0,0.5320138888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.283472222222222,0.0,1.3518518518518519,0.0,0.0,0.0,0.865023148148148,0.0,0.0,0.0,0.0,0.0,0.5320138888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.300972222222222,0.0,1.3645833333333335,0.0,0.0,0.0,0.865023148148148,0.0,0.0,0.0,0.0,0.0,0.5320138888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.583333333333332,1.7314814814814814,0.2,2.300972222222222,-0.0,0.5320138888888889,6.7622800000000005,0.7179861111111111,0.3009722222222222,2.939722222222222,0.7179861111111111,0.3009722222222222,2.939722222222222,4.5,0.5,0.0,0.0,0.42414,0.7,0.42414,0.42414,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.55556,0.11111,0.11111,4.0,0.44444,4.0,0.44444,0.0,0.0,-4.0,-0.44444,0.0,0.0,11.22291,1.24699,11.22291,0.0,0.0,3.91649,0.43517,3.91649,0.0,0.0,0.49751,0.05528,0.49751,0.05528,0.0,8.0,0,0,0,0,0,0,1.0,0.8935711016541907,1.4080429822936391,2.3283862904278743,2.8995676323871855,2.801127874722588,2.131284152832869,25.91356194797153,40.833246486515534,67.52320242240836,84.08746133922838,81.23270836695505,61.8072404321532,0.18393878085369603,0.28984118787328916,0.47929094262887906,0.5968668126317035,0.5766033003282733,0.4387180919337665,3.9644098934733822,3.4499380128339334,2.5295947046996985,1.9584133627403872,2.056853120404985,2.7266968422947038,0.18587583320595183,0.2928934944730439,0.4843383374388546,0.6031523944868495,0.5826754879008751,0.44333821558584957,6.65913786016461,12.832800427837991,16.358574556417867,16.176144378379952,14.994867286404775,12.477186840726082,35.683323207831734,25.714358998507166,22.43127942320778,23.258789263754686,25.906293419392355,19.9085339093267,9.0,3.239669421487603,8.0,9,0,6,2.45,1.3767000000000005,2.8853998118144273,4.0824829046386295,2.1763764082403103,2.871745887492588,1.0,1.4142135623730951,1.4142135623730951,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.15399999999999997,0.131,0.009000000000000008,0.003999999999999948,3.6249999999999996,11.0,6.0,5.0,6.0,0.0,0.0,0.0,0.0,0.0,45.0,2.1972245773362196,2.4849066497880004,1.9459101490553132,1.791759469228055,1.9459101490553132,0.0,0.0,0.0,0.0,0.0,3.828641396489095,1.0,0.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.375,8.0,1.0,1,3.0,5.0,0.6666666666666666,4.0,0.8888888888888893,0.375,0.4800000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.5,0.08080808080808084,0.0625,0.09600000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.7393080808080809,22.46618012720836,34.616844750355455,44.93236025441672,4.992484472712969,22.466180127763238,0.0814466936074476,0.009049632623049733,-2.2570258850065787,33.80823996204667,3.7564711068940744,3.1686341027736584,0.0,164.2203203336001,4.169925001442312,3.6635616461296463,4.290459441148391,5.1298987149230735,5.796057750765372,6.6240652277998935,7.311218384419629,8.128290171607052,8.82834762005316,9.637501738166108,76.40940069501232,2.833213344056216,0.0,4.110873864173311,0.0,5.501258210544727,0.0,6.9363427358340495,0.0,8.39773375137891,8.664578178329295,128.15650064,4.419189677241379,16.272093595774795,1.8080103995305328,0.0,0.0,0.0,98.0,6.0,5.376000000000001,38.0,1.230142857142857,2.120751855814726,2.9335957546332314,3.4537602255245945,4.286328139821292,5.46356025064479,5.814793429911547,0.0,0.0,0.0,72.40063675514281,86.24858719377274,67.62644339671797,47.016341411930554,106.33650667708164,54.80669199254855,5.908202271569646,0.0,0.0,0.0,275.5059646900563,351.6343944838568,385.2969280174641,276.56052598749073,499.0916844215917,541.3312766493524,180.74555289402284,0.0,0.0,0.0,8.939719116571426,15.079320259506774,20.817245704169565,23.768666201904708,29.92745383009031,38.479442533473616,39.066480326297246,0.0,0.0,0.0,2.0988376407357126,2.825465234105787,3.4329389197016194,2.7052469933428327,4.365978114470528,5.399901455592657,2.585332197969853,0.0,0.0,0.0,176.90608381034693,329.6891531602268,456.2871507409252,595.3801274991691,706.9286127518787,869.1063094113039,1075.2579480652728,0.0,0.0,0.0,2.515197916666666,3.6169256108483085,5.188109351262536,4.453798295494078,6.718967672785015,9.904571748774938,5.814793429911547,0.0,0.0,0.0,0.4355678571428573,0.5932003255668162,0.7320396581455966,0.5891548317849185,0.932021502465224,1.1705517518087343,0.5954348472229425,0.0,0.0,0.0,410.51884972835484,200.3464521452396,9.867695935528811,125.22853011122254,-61.11556565977055,-7.2375340229027,285.2903196171323,261.46201780501013,17.10522995843151,0.7662545169166846,0.3739569425523477,0.01841856126012892,0.23374548308331553,-0.1140753421473957,-0.013509228967335103,219.9343981167233,107.33508679696737,5.2865922425132075,67.09085688824909,-32.74250416963572,-3.877489889269917,0.06054632600991771,0.12840286045938393,1.1612673832187188,7.175698022438173,535.7473798395773,0.0,1.0,0.0,496.65255316919956,22.285702887034986,7.919253115729209,690.3932748049521,26.27533586474114,8.838234441616704,899.6982346379552,29.99497015564368,9.653814646713256,1.5588570727669946,1.5371003814252615,684.0044343397789,639.5119233109409,175.07241253685703,1.0695726059312345,3.906980114275738,3.6528423527396585,4.56321002786776,4.466158665423345,7.636292012694009,0.7098120744821699,5.578011068718552,7.5882976881654,3.5686143048617325,28.709356327550015,6.256189288968512,9.418879503450679,8.440513592994243,15.792793607833984,4.564672940757549,5.79009050953993,9.175356153903527,2.2432543419086723,3.7561628483554803,1.2676779168733845,3.5971597471497404E-6,7.995821532682838E-33,3.428012415642248E-81,2.834638014355782E-151,4.5209401166217034E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4681238162837857,7.587802836567568,0.19523258579100672,11.86707702597402,1.5388770362567177,0.26949411190742545,0.5197018320166018,1.3662630650200547,2.0518243886317977,0.21320099536913198,0.300788882885942,0.02352401747852215,0.1434549433089495,0.00892835922058577,2.5335090221968316E-8,5.631522483531339E-35,2.4143771735781246E-83,1.9964587310093503E-153,3.184135089732474E-245,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5111607434362382,7.587836690978926,0.6989321521042672,14.504398987178911,1.880631450850747,1.2131643698374261,1.5041727570463437,3.2535442435297215,2.376609371148339,0.867038430782187,1.2795159457929983,0.1719532668683428,0.5762766811441322,0.09304038687964547,2.640111735701448E-7,5.868480620505385E-34,2.5159671643269468E-82,2.0804639254889955E-152,3.318114261607069E-244,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.265187432673019,7.588243636367056,3.2966940290441875,27.39507729192092,5.747656665781686,8.531910391299117,7.731907776642655,14.535509902843273,4.344280106964852,5.277268573114787,8.337458137007356,1.9995836457032963,3.4272348974709423,1.1294782012409799,3.2050045730921646E-6,7.124133032507917E-33,3.054297345970154E-81,2.525611437265143E-151,4.0280762509725756E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2271728949429033,7.587879870784432,1.0996006820827262,16.55253660474848,2.2996673125369185,2.135293716398071,2.3677347195832144,4.863091685388383,2.6554270309512833,1.4597427189047285,2.1986454647936022,0.3643066482513859,0.9638399427446579,0.20209615297572717,5.734675479171502E-7,1.2747124093012658E-33,5.465016881125667E-82,4.519045651540484E-152,7.207387564629611E-244,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.736256189560987,7.588524792318937,4.649674323659543,33.89710004599513,8.38855740503357,13.074040859325732,11.318155848223002,20.87271380479795,5.456260067106968,7.8834610865600645,12.612215367537885,3.2678337981863264,5.096389023248873,1.8487891033953143,5.246119424487005E-6,1.1661154245533913E-32,4.999433938215588E-81,4.13405314019881E-151,6.593366275029756E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.4730452514243275,5.997944653017507,1.4548227899561583,20.520303411257895,3.136755159186462,4.000212485992764,3.621784336828899,7.782124639181007,2.9831514092608087,2.5632648094879196,4.08375081669204,0.7562367918646401,1.7604955163060454,0.4228372336186671,1.1998418968444786E-6,2.6670268625700653E-33,1.143422368842437E-81,9.455008092723794E-152,1.5079712179437657E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.246530020283159,1.4298528165597582,0.99535750243338,0.6838774239298724,0.18637919863364946,0.5967112182681599,0.5406696533493811,0.4440143754606149,7.671740339276297,14.147153472436251,29.28583260924834,0.5258161358948086,1.581395247078156,4.480598510839547,0.8565221562529983,0.5101950302106534,0.7662658804117612,0.1464812574850421,0.4357498836915842,0.19372887751902607,0.11854734153423986,5.847315697303198,6.560704337793446,14.366011776639318,0.649398820617642,0.7480261027448502,4.794969597073855,1.0919080118721225,0.7094675459844818,0.7269130836020368,0.1655322737404019,0.49875838457916005,0.3150355166761567,0.22770789744777453,6.59634515493046,9.412214330458083,19.723094395159173,0.5903696254030552,1.0415017987030915,5.22856154121565,1.4164087357736292,0.9839886123889129,0.6853571525330123,0.18566212720659653,0.5926456211813586,0.5305333259987518,0.43408886761664867,7.628958889378192,13.944355324728129,28.860517638588874,0.5280357287995184,1.557267814796759,4.930680833985811,1.1934926462646307,0.7954293199397195,0.7125670325831865,0.17247993573154688,0.5272736335480172,0.376477307176472,0.2854161974006092,6.919602800190161,10.756078463028496,22.356569092282513,0.5688505488747798,1.1891671381250983,5.302476881240729,1.471710729083833,1.030752137511274,0.679374479823628,0.18856144654952792,0.6094590377147486,0.5728449250270138,0.4756106482470107,7.804939747835836,14.786220476085393,30.63485316887768,0.519061719735442,1.6579146109887732,5.242111732088778,1.4209423748895211,0.9863045809284757,0.6853008135670609,0.18575967383199782,0.5957255294170866,0.5340786478310382,0.4359051590898065,7.6493586879067745,14.020539482717439,29.016623266685638,0.5279512203505913,1.565709336337931 +UMLCN0299,L,"9,10-dipropyloctadecane",CCCCCCCCC(CCC)C(CCC)CCCCCCCC,Alkanes,,C24H50,NREL (2014),Unknown,PubChem,,47,0,-3.4166000000000025,11.673155560000017,87.76999999999998,75.57964999999993,0,0,74,24,50,0,24,0,0,0,0,0.0,0.0,0.0,0.0,0.0,3513.1421039999964,3923.4291830000057,4582.458744000017,4955.148938000036,5339.517820000034,5490.899260000032,5267.05639400004,4891.832088000045,4498.318630000046,11718.59286353046,15477.71955876053,21423.213448258488,24333.661405923,26067.504395954886,27630.84625898669,27740.098831864972,26286.009541711453,24272.41285180121,516.8955839999994,529.3134680000005,1023.1131840000005,1448.8188560000026,1514.1224800000023,1639.844848000002,1760.7297680000024,1755.892320000003,1630.122520000003,89.16424524244972,119.82191549999986,180.49097504547038,214.52802505156197,228.56956662671305,244.59977577580722,250.58995949339135,240.54993406188134,222.5068763430892,12288.947147372452,10572.397575714995,22371.62340104839,33841.59867808478,35135.25011994374,38082.226604644035,41399.81051570359,41770.41794206286,38812.50763198567,110.05555555555556,133.94444444444446,222.3333333333333,287.66666666666663,303.83333333333337,332.66666666666674,354.1666666666667,347.9166666666667,322.5,47.47489329729725,53.74560524657542,31.822630166666784,23.9379175748794,24.719989907407562,23.46538145299159,20.901017436508095,19.412032095238274,19.223583888889085,158.3593630206819,212.0235555994593,148.77231561290617,117.55391983537682,120.68289072201335,118.0805395683192,110.07975726930545,104.30956167345815,103.72826005043252,6.985075459459452,7.250869424657541,7.10495266666667,6.999124908212573,7.009826296296307,7.007883965811974,6.987022888888898,6.967826666666679,6.966335555555569,1.2049222330060774,1.6413961027397241,1.2534095489268777,1.0363672707804925,1.0581924380866345,1.0452981870760991,0.9944046011642513,0.954563230404291,0.9508840869362787,166.06685334287096,144.82736405089034,155.3584958406138,163.48598395210038,162.66319499973955,162.74455813950442,164.28496236390313,165.75562675421767,165.86541723070798,1.4872372372372373,1.8348554033485542,1.5439814814814812,1.3896940418679546,1.4066358024691359,1.421652421652422,1.4054232804232805,1.3806216931216932,1.3782051282051282,0.10319536105683527,-0.007913660389229643,-0.0424641418941872,0.004822579141319139,0.0037815371878340645,-0.006132941663469737,-0.009456787998113152,-1.254153501800601E-4,-0.0013733474598135688,1963.2325783783747,-55.27118745433992,-679.1723514389998,129.6440972929168,15.210630787438971,-226.74451941270905,-239.65586880204717,-10.612067991237273,-10.788935791090472,3650.714812527936,-102.77913323560965,-1262.9499891988778,241.0787349173796,28.284817466424013,-421.64111618566767,-445.65032170949416,-19.7335935812285,-20.062486807582058,0.3845837837837834,-0.010827246165115646,-0.1330452008765809,0.025396388604814656,0.0029796581446208032,-0.044417694667651,-0.046946939371806884,-0.0020788312636911975,-0.002113478451419307,16.32039380836217,-0.45947054640655977,-5.645974074244158,1.0777341136513285,0.12644629437112387,-1.8849319695783762,-1.9922642892189615,-0.08821834491005198,-0.08968865065855525,88.65263819106495,-2.4958513004259473,-30.669020779613152,5.854268810274525,0.6868582778762545,-10.238980374860283,-10.822011238638897,-0.4792034496809171,-0.4871901738422727,6.198198198198203,-1.3284027270513794,-2.0523496469442377,0.06044558071585843,0.42598003408814766,0.02641831020210131,-0.5983686389091676,0.2597394691989384,-0.6627708789870834,0.0013945319061734497,-1.0840630670177593E-4,-2.948898742651889E-4,2.3297483774488596E-5,1.750711661034289E-5,-2.6209152407990328E-5,-3.752693650044902E-5,-4.976799610319846E-7,-5.869006238519524E-6,26.530169978086143,-0.75713955416904,-4.716474662770832,0.6262999869223034,0.07041958697888412,-0.9689936727038848,-0.9510153523890761,-0.04211138091760823,-0.04610656320978834,49.333983953080214,-1.4079333319946528,-8.770486036103318,1.1646315696491767,0.13094822901122227,-1.8018851119045627,-1.7684536575773577,-0.07830791103662103,-0.08573712310932503,0.005197078159240316,-1.4831844061802255E-4,-9.239250060873673E-4,1.2268786765610944E-4,1.379471363250372E-5,-1.8981920798141451E-4,-1.8629737845955111E-4,-8.249330411473006E-6,-9.031959194099603E-6,0.22054586227516446,-0.006294117074062463,-0.03920815329336221,0.005206444993484679,5.853995109774253E-4,-0.008055264827258019,-0.007905810671503815,-3.5007279726211103E-4,-3.832848318741677E-4,1.1980086242035803,-0.034189743841451334,-0.2129793109695358,0.028281491837075002,0.0031798994346122897,-0.04375632638829181,-0.04294448904221784,-0.0019016009907972902,-0.0020820092899242423,0.08375943511078653,-0.018197297630840815,-0.014252428103779429,2.920076363084948E-4,0.001972129787445128,1.1289876154744148E-4,-0.00237447872583003,0.0010307121793608667,-0.002832354183705485,-0.0777366987602595,-0.21146154703219172,0.016706311036235905,0.01255411692829736,-0.018794229297992463,-0.026910059450286596,-3.5687958004317175E-4,-0.004208585126333816,-0.02853881278538492,-0.17777777777777634,0.02360708534621624,0.0026543209876548294,-0.03652421652421644,-0.035846560846561196,-0.0015873015873020086,-0.0017378917378920774,-0.02853881278539531,-0.1777777777777812,0.02360708534621522,0.0026543209876535097,-0.036524216524217286,-0.03584656084656108,-0.001587301587301299,-0.0017378917378914004,-0.028538812785471563,-0.17777777777781625,0.02360708534620987,0.0026543209876451358,-0.0365242165242251,-0.0358465608465629,-0.0015873015872978238,-0.0017378917378875539,-0.02853881278538609,-0.17777777777777615,0.023607085346216326,0.0026543209876549417,-0.03652421652421596,-0.03584656084656041,-0.001587301587301339,-0.0017378917378915125,-0.028538812785408957,-0.17777777777778644,0.023607085346214557,0.002654320987652525,-0.03652421652421777,-0.035846560846560474,-0.0015873015872998814,-0.0017378917378898949,-0.217256690028672,-0.17015907622738974,0.003486265588136591,0.02354516580534051,0.0013478930630097146,-0.028348791066813737,0.012305624769288013,-0.03381534486185586,1.5939557281430805,1.380644491458065,0.9484947890114563,0.9762681085546862,1.0348519287538254,1.0255158317253439,0.963105769121193,0.9627867971421676,1.5416666666666707,1.406770833333337,1.000370370370373,1.0420524691358053,1.0773219373219403,1.0360978835978862,0.9646428571428597,0.9618945868945895,1.541666666666665,1.4067708333333317,1.0003703703703692,1.0420524691358013,1.077321937321936,1.0360978835978822,0.964642857142856,0.9618945868945858,1.5416666666666667,1.4067708333333353,1.0003703703703717,1.042052469135803,1.0773219373219374,1.0360978835978834,0.9646428571428574,0.9618945868945876,1.5416666666666643,1.406770833333333,1.0003703703703701,1.0420524691358026,1.0773219373219378,1.036097883597884,0.9646428571428574,0.961894586894587,1.5416666666666627,1.406770833333329,1.0003703703703672,1.0420524691358,1.0773219373219358,1.0360978835978825,0.9646428571428555,0.9618945868945846,1.801598837209301,1.1586775274547794,0.8060365408381073,0.7906270187338493,0.8975818674219829,0.9814680232558132,0.9230473075858243,0.9898566388391962,302.173183257388,151.086591628694,217.31807839626447,302.173183257388,12.590549302391171,151.086591628694,-2.8421709430404007E-14,6.106226635438361E-16,2.544261098099317E-17,-84.07692594585284,314.0347439754353,13.08478099897647,13.798808710536804,302.173183257388,151.086591628694,217.31807839626447,302.173183257388,12.590549302391171,151.086591628694,-2.8421709430404007E-14,6.106226635438361E-16,2.544261098099317E-17,-84.07692594585284,314.0347439754353,13.08478099897647,13.798808710536804,302.173183257388,151.086591628694,217.31807839626447,302.173183257388,12.590549302391171,151.086591628694,-2.8421709430404007E-14,6.106226635438361E-16,2.544261098099317E-17,-84.07692594585284,314.0347439754353,13.08478099897647,13.798808710536804,302.173183257388,151.086591628694,217.31807839626447,302.173183257388,12.590549302391171,151.086591628694,-2.8421709430404007E-14,6.106226635438361E-16,2.544261098099317E-17,-84.07692594585284,314.0347439754353,13.08478099897647,13.798808710536804,302.173183257388,151.086591628694,217.31807839626447,302.173183257388,12.590549302391171,151.086591628694,-2.8421709430404007E-14,6.106226635438361E-16,2.544261098099317E-17,-84.07692594585284,314.0347439754353,13.08478099897647,13.798808710536804,302.173183257388,151.086591628694,217.31807839626447,302.173183257388,12.590549302391171,151.086591628694,-2.8421709430404007E-14,6.106226635438361E-16,2.544261098099317E-17,-84.07692594585284,314.0347439754353,13.08478099897647,13.798808710536804,341.2819204924864,170.47776580179865,247.2129435426881,340.98273067767144,14.207613778236308,170.47776580179865,-0.3263888888891131,6.661338147750939E-16,2.7755575615628914E-17,-83.86809864107772,268.59528003139945,11.19147000130831,13.423693707487155,0,11.890000000000002,12.110491665894921,-0.17050525300368236,0.05023905061460442,5.130326241427592,10.929215372924572,23.0,73.0,73.0,73.0,23.0,0.0,0.0,0.0,0.0,0.0,54.66034999999999,3.6707633203881618,3.4912272526447783,3.4488773747403565,3.295322917441313,3.1945141075268024,3.189613779820197,2.9739288227299374,2.8649721854350565,2.0089324184847874,1.9134332801194092,1.8805417682703178,1.7776876245429978,1.714308799052547,1.714108407892154,1.5580645725430062,1.4804860878328059,3.692998192013715,3.520172278201782,3.4784185389839197,3.3282341044606985,3.2303889506505428,3.22601584608223,3.0147733895845525,2.908002770102123,1.9581438704610803,1.8525278157754672,1.818220857043638,1.7082496023072775,1.6404498912267322,1.6399719016809438,1.476467334111323,1.3947638828590787,3.7915932348101946,3.6466002307599004,3.6075807218051357,3.4726220498087126,3.387231304402003,3.3848231888249116,3.192807031518005,3.0958307686142073,1.8114585061957187,1.6716725739625635,1.6332146143191366,1.5013256488344853,1.4182770855871787,1.4161889988300524,1.2278779138626474,1.1328409315843095,3.709419245068298,3.5414509171004305,3.500143535243512,3.3524722660562327,3.256785180648924,3.2527822243529947,3.044809490683209,2.939668481041429,1.9260520375097463,1.8135985839580444,1.778388779586068,1.663777327537618,1.5929576341372258,1.5922347338744798,1.4237138784702235,1.3392672527656682,3.840172973770188,3.707668952916812,3.6700251829396207,3.5425465421269795,3.4627710624983905,3.4611008816112814,3.2780121451473545,3.185732935312905,1.7664722308207221,1.6146981746156643,1.5749719932626332,1.436120140511307,1.347680832432554,1.3448314327357194,1.1480332298675167,1.0485765961153641,3.684779240694834,3.5629688690716947,3.531346900250745,3.4176507652217394,3.3348155613651396,3.3344290362593605,3.1443200824056987,3.02303881524506,1.930811164855436,1.7723761379877243,1.7311160974569495,1.5891901675912588,1.5018117881360642,1.4932738460874984,1.30525342142256,1.2289997563684023,0,0,0,0,0,4,18,2,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3333333333333333,0.0,0.08333333333333333,0.0,0.3333333333333333,0.0,0.08333333333333333,0.0,0.9428090415820635,1.569035593728849,1.9630290988420027,0.9428090415820635,1.569035593728849,1.9630290988420027,17.88262259973711,11.794753619934976,8.21039375508368,5.842535255101097,4.346778501339036,3.059338815008246,1.9865025267429106,1.2868182773063654,0.7451092749890463,0.5128153747797816,0.34209973979515335,0.2247128944269653,0.15524208933353698,0.1092621005360088,0.0764039433362658,0.05361742822109856,17.88262259973711,11.794753619934976,8.21039375508368,5.842535255101097,4.346778501339036,3.059338815008246,1.9865025267429106,1.2868182773063654,0.7451092749890463,0.5128153747797816,0.34209973979515335,0.2247128944269653,0.15524208933353698,0.1092621005360088,0.0764039433362658,0.05361742822109856,37.54569509464685,71.19592134013124,67.13725490196067,68.00000000000006,43.96386227544917,568.9636826347303,0.5073742580357683,0.9621070451369086,0.9072602013778469,0.9189189189189196,0.5941062469655294,7.688698413982841,9.3202,112.78200000000011,151.086591628694,217.31807839626447,302.173183257388,12.590549302391171,151.086591628694,6.106226635438361E-16,2.544261098099317E-17,-84.07692594585284,314.0347439754353,13.08478099897647,13.798808710536804,560,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,18.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.800000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.410478999788506,0.0,26.206619240742278,0.0,0.0,0.0,2.049568426135886,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3143643353962524,0.0,1.3703272224019818,0.0,0.0,0.0,1.024784213067943,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.390875164498,0.0,1.5143515648913377,0.0,0.0,0.0,1.024784213067943,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,37.66666666666667,1.5694444444444446,0.2,2.390875164498,0.2,1.024784213067943,17.567983983054162,0.3085491202653903,0.39087516449799997,2.87836425914236,0.3085491202653903,0.39087516449799997,2.87836425914236,12.0,0.5,0.0,0.0,0.42973,0.7,0.42973,0.42973,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.16667,0.08333,0.0,11.5,0.47917,11.5,0.47917,0.0,0.0,-11.5,-0.47917,0.0,0.0,39.00724,1.6253,39.00724,0.0,0.0,11.79474,0.49145,11.79474,0.0,0.0,0.11926,0.00497,0.11926,0.00497,0.0,23.0,0,0,0,0,0,0,1.0,0.9090221560878149,1.2465958046195191,2.2857218655012375,3.2029984748849634,3.6887868113994795,3.7930649343703906,67.2676395504983,92.24808954184442,169.1434180470916,237.0218871414873,272.9702240435615,280.6868051434089,0.14639326564871313,0.20075773682749162,0.3681035561283611,0.5158261583240885,0.5940598301000115,0.6108532766130523,5.300431209541136,4.962857561009432,3.9237315001277135,3.0064548907439876,2.5206665542294715,2.4163884312585604,0.14685749934280734,0.2013943679277846,0.3692708644257301,0.5174619158292447,0.595943677613203,0.6127903785138468,6.7074934957589765,10.75837727813943,15.643889479079037,18.974698900924842,20.282726531608006,19.423743759442583,94.97612660482295,79.83743896607919,65.0791604123825,52.439540208069126,45.450358705495844,47.98636438300289,24.0,19.32638888888889,15.035502958579881,24,0,18,4.1,3.490199999999996,0.5313354344849333,11.094827581942711,1.4755758929337621,0.0,31.731574758922896,10.83415764088383,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.121,0.10400000000000001,0.049000000000000044,0.010000000000000009,11.294,24.0,26.0,28.0,28.0,26.0,24.0,22.0,21.0,18.0,264.0,3.1780538303479458,3.2188758248682006,3.295836866004329,3.367295829986474,3.367295829986474,3.295836866004329,3.2188758248682006,3.1354942159291497,3.091042453358316,2.9444389791664403,5.579729825986222,1.0,0.47058823529411764,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.0,0.8260869565217391,23.0,1.0,2,9.0,17.0,0.8888888888888888,2.0,1.333333333333334,0.75,0.4800000000000002,0.3333333333333334,0.24489795918367357,0.15625,0.12345679012345678,0.10000000000000003,0.08264462809917356,0.08695652173913043,0.05555555555555558,0.028846153846153848,0.01714285714285715,0.011904761904761908,0.009419152276295138,0.006510416666666667,0.005611672278338945,0.004761904761904763,0.004591368227731864,0.24631219537322915,151.086591628694,217.31807839626447,302.173183257388,12.590549302391171,151.086591628694,6.106226635438361E-16,2.544261098099317E-17,-84.07692594585284,314.0347439754353,13.08478099897647,13.798808710536804,0.0,423.6600897216032,5.584962500721157,4.553876891600541,5.272999558563747,6.018593214496234,6.769641976852503,7.534228326274089,8.301769763117166,9.077380244719953,9.855189767128376,10.638136496521085,115.02181623927369,3.8501476017100584,0.0,4.962844630259907,0.0,6.244166900663736,0.0,7.624130585661289,0.0,9.06958293425992,9.346530726426447,338.3912516000014,4.57285475135137,46.53837838406052,1.939099099335855,0.0,0.0,0.0,1724.0,26.0,13.874000000000008,94.0,1.2421780821917803,2.1462716802810613,2.8809474461513744,3.5951404902925272,4.589113467211416,5.436886828132923,6.404611515531108,7.465005003381242,8.551563071485822,9.691985214391226,78.45462111930141,76.55486508518635,80.91237831219152,107.57164272912993,124.81730957574379,132.74327518154777,144.48772934236396,164.8778224406885,190.02246979835746,206.5190365625181,290.69131852598116,342.49302982389077,369.73960522873705,491.49524701175426,592.2277902041999,657.038369258409,731.148488668313,841.116172504363,961.7022689392421,1084.311037053004,9.044287065260285,15.30013807644862,20.222221177692944,25.348899002372736,32.279761834246045,38.13637327264842,44.79139037432442,52.17822552680263,59.74815480751109,67.78239001276663,2.187138615773974,2.8304908628254086,3.1660664180387332,4.168888851856021,5.108555024897301,5.775915611196704,6.515415245767385,7.523448856244139,8.591690913922697,9.762804425222939,177.57190794108905,329.7986308364125,466.99717811964223,573.93298489842,738.1550870999484,882.267477487861,1049.3955702316225,1225.2965522500672,1405.7301307325495,1587.2603206190129,2.3414254185692536,3.3928461462555095,4.099115628815972,5.284834526130926,6.7101982817970915,7.859366225736348,9.08271273894065,10.531821397304006,11.980682559493948,13.9296226408106,0.45287414383561586,0.5965511785699479,0.6728847664695319,0.8838933226906908,1.0863684248368595,1.2324454343411972,1.3939567223458293,1.610706232348091,1.8392956287990085,2.091757081822117,838.3150191548209,1077.8076077263613,20.971755579231218,226.7762256735374,-291.5624027932021,-13.745377240085947,611.5387934812835,1369.3700105195635,34.717132819317165,0.7870828187024643,1.0119392239488854,0.019690102309132075,0.21291718129753553,-0.273744061092332,-0.012905351824858012,892.8819873099173,1147.9634465987451,22.336833256119448,241.53737250010468,-310.5405625361589,-14.640080955278528,0.023432480086788117,0.05068579056605881,0.20164766320621413,3.366527496192433,1065.0912448283584,0.0,1.0,0.0,1427.8760903614486,37.787247721439684,11.260651220454463,1912.2278944508323,43.72902805289448,12.412136691661729,2935.798667823056,54.183010878162314,14.31887033573108,4.115503673265246,4.115503673265246,11602.025636528075,10961.905356521138,827.0097767102205,1.0583949832796298,14.028885707591046,13.254867917192866,9.362649249550401,11.837186512466076,22.40291636690961,0.892587934076773,14.633765168624636,21.828826957236885,8.724435695051003,95.93525068371636,44.31367761823387,16.62438479826924,36.901229176397905,57.99749084345533,79.60044193406115,27.17775346654381,28.72545753258554,83.87139943120208,33.53696678650115,79.0325145574715,27.15362204550312,25.334511879496784,49.11141078865305,19.195944871889598,84.19633269645713,19.925067530776133,18.364214828967985,26.112691061420826,13.313793664188792,53.0295713478781,10.824983809590297,4.433631317326614,12.740812600731626,4.2952215815649515,32.366330060103856,7.251381242989022,1.1751603752183775,21.81503443608896,0.6199968404778591,26.800157010261632,2.602602913789913,2.3973156581649477,5.908910393551437,4.904289293215125,16.985429103388277,3.1845575611804575,2.0888690023417746,10.120414172147848,2.3431448533242123,15.41560061124946,3.014517925965025,1.4682953275075463,6.029790322785502,1.6980517660931749,14.720442889637585,2.0855786964446525,1.1436515838070795,1.4619268740526035,0.42107879242536783,8.66630006467627,1.1033822142757435,0.3420803446519928,0.1930945886646483,0.06269711515494683,4.826428259287678,0.30676767121346327,3.828451294149216,21.815980340277676,2.0753469968631406,32.81331413001787,5.911761569536212,4.217501331613118,10.420757659203433,12.39133333652638,25.404698896749714,6.031629813574362,5.765777408601072,21.283915003964676,6.460476010313257,25.098541399746427,6.209600061324256,4.044066460887134,11.559420010988065,3.8591139260143996,25.014550045943793,4.610035704816971,3.3959721385158437,3.527851030706021,1.8180710241700517,15.329964331363072,2.3160020908099836,0.9667430880473444,1.198542662175456,0.39860359725309485,8.870540083783109,1.189141804971514,13.776621291642195,21.827321241818996,8.157909871035157,88.83776637566076,39.91881275154118,15.369979189698636,34.362046210622864,53.56189891013287,74.22413917442708,24.98352572460403,26.472088751266647,77.98003472979659,30.831330394944256,73.96957242417778,25.06304004498038,23.061249725686988,45.31920221400616,17.62570192263745,78.56783405352819,18.437802302929107,16.863260378822698,23.554379239731194,12.087719984594147,49.46753514666979,9.956808986457435,4.108678020187932,11.422256721523278,3.8493057003486326,30.122336012359344,6.636911717468693,5.677732366136535,21.8171847502999,3.1334682410590986,39.34585620400442,9.72885589274514,5.788822931237085,14.05671616662287,18.525760527676347,32.47936918044851,8.594876872628822,8.812495770783363,30.10252215426269,9.954964248117845,32.72619519651616,8.91725683926798,6.493932780250827,16.3245600978429,5.761460854243371,33.23538234950911,6.674645732249951,5.317060222120731,5.826657247054713,3.143666149419039,20.614543357532423,3.377581000941584,1.4580592665202639,2.3507030470731687,0.7859794657849881,12.115049655476765,1.9537669031783902,17.845099384391407,21.835152853727777,10.90193462794623,125.4671275087753,62.676590488798944,21.70424537919638,47.03145942295275,75.76626975167736,101.25849597084115,36.125607357369695,37.77569232762045,107.24724984413018,44.45848804780145,99.10489573751408,35.589898386655705,34.67355858480271,64.46342121178012,25.576463903503868,106.5976051961182,25.880398153276076,24.42879501890798,36.77626704831184,18.34933591689671,67.17892621153318,14.349444178557755,5.721343884454684,18.247762100840013,6.158349028212478,41.308420916465735,9.741449933222073,9.413417888425368,20.52108711759795,5.078451064531647,54.324018635063396,20.18641693562165,8.959648809634045,21.659134647280585,31.758244151876376,46.65754431179915,14.341871023718435,15.848037125202437,48.089327351365334,17.954929767477523,47.627559100458356,15.083943482763594,12.904526455145108,27.071921009448243,10.580808629456095,49.93546863126409,12.06445089681126,10.018553580166685,12.293090814867046,6.5241362127104985,32.37151825730697,6.295825569025671,2.5826113506131185,5.656274447104233,1.829455933157176,19.402393826082097,3.6190702629372025,34.3448285994207,2.8974204068205163,0.7386188265654994,0.9042665573258619,0.07628631392982055,0.4306366181244281,0.24568303404199754,0.4358563336696562,37.980867832806716,127.01923351236447,238.50110020005263,0.856399835988793,1.1121759858360818,32.1180001251054,2.167671162657758,0.2760614820684695,0.9292936884559411,0.06271882191479367,0.37659145771344704,0.13734050806795114,0.06100826959652175,34.56173276983162,79.0862159028415,132.8676976297782,0.8939405326839116,0.5749402353779199,33.01382541729022,2.461278515105694,0.46217824435289145,0.9186511449285376,0.06848816510387437,0.3978963730562979,0.1771578116861644,0.1708669644242123,35.93728217674881,97.65204045473779,171.14417936457082,0.8779767173928064,0.7459211491666746,34.29083443365107,2.8797297687354115,0.7274065470595299,0.9048198031593112,0.07598638427830617,0.429283200182274,0.242685266348181,0.42274598984684875,37.89797074944601,125.7864484720748,235.51460585805947,0.8572297047389666,1.0947144563773037,33.40824749134957,2.5905339413524806,0.54410780552098,0.914220199545834,0.07089023323976368,0.40746310713239037,0.1962967232636322,0.23673039245508953,36.54288923822303,106.13241701422184,189.76522458452655,0.871330299318751,0.8404902228511121,34.51350542117571,2.9526845283407557,0.7736447660534935,0.90255372906,0.07721488731065365,0.4348784325640714,0.2551667472712089,0.4780961533043292,38.239834715569955,130.89301523431973,247.97304889915824,0.8538305935899999,1.1681413331396096,34.36867351281617,2.895875222789187,0.729450054602367,0.9045816341309693,0.07621927975466343,0.4312355355572583,0.2454106642163777,0.42521870629190556,37.993998790207726,126.71001717581525,237.3042760840214,0.8568724511964538,1.1018649060655414 +UMLCN0300,L,n-octadecane,CCCCCCCCCCCCCCCCCC,Alkanes,,C18H38,NREL (2014),Unknown,PubChem,,106,0,-4.505399999999998,20.298629159999983,58.382999999999996,57.018133999999954,0,0,56,18,38,0,18,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2635.3646099999964,2912.5594010000023,3178.075504000004,3036.1862309999988,2839.429501999998,2642.6727729999975,2445.9160439999973,2249.1593149999962,2052.4025859999942,8804.486519863294,11559.77875181832,15491.675951406076,16163.399805721214,15156.601460766084,14149.803115810953,13143.004770855825,12136.206425900695,11129.40808094556,391.0309199999998,398.6587880000003,766.688704000001,1066.6008600000032,1003.7159600000032,940.8310600000032,877.9461600000027,815.0612600000021,752.1763600000015,67.09549038426202,89.72598377999994,132.35198560667786,147.3395536091281,138.31802474973188,129.29649589033562,120.2749670309396,111.25343817154364,102.2319093121477,9309.169186541463,7974.160866620205,16815.47638187646,25322.074436147228,23843.11928110865,22364.16412607007,20885.208971031494,19406.253815992914,17927.298660954337,82.0,99.75,166.5,208.25,196.0,183.75,171.5,159.25,147.0,47.06008232142851,52.95562547272731,29.426625037037073,19.844354450980383,19.718260430555542,19.575353874074057,19.412032095238075,19.223583888888857,19.003727648148097,157.22297356898738,210.1777954876058,143.4414439945007,105.64313598510597,105.25417681087558,104.81335641341447,104.30956167345893,103.72826005043329,103.05007482357001,6.982694999999997,7.248341600000005,7.098969481481491,6.971247450980413,6.970249722222245,6.969118962962987,6.967826666666688,6.966335555555574,6.9645959259259405,1.1981337568618218,1.631381523272726,1.2254813482099802,0.9630036183603145,0.9605418385398047,0.9577518214098935,0.9545632304042826,0.9508840869362704,0.9465917528902565,166.23516404538327,144.98474302945826,155.698855387745,165.5037544846224,165.5772172299212,165.66047500792644,165.7556267542182,165.86541723070866,165.99350611994757,1.4642857142857142,1.8136363636363637,1.5416666666666667,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,0.07916033986374735,-0.004413884623719816,-0.03785186799700231,-9.914503779510659E-5,-2.8176920587633884E-6,-2.4474546654303445E-8,7.15573433840433E-18,7.15573433840433E-18,-6.7220534694101275E-18,1478.7348242142843,-55.7459556747475,-681.3051424846974,-6.022416264032472,-6.17683719387901,-6.331258123725775,-6.4856790535725395,-6.640099983419304,-6.794520913266069,2749.770549864786,-103.66198501475142,-1266.9160052217553,-11.198940209348965,-11.486092522408743,-11.77324483546899,-12.06039714852945,-12.347549461589683,-12.634701774649916,0.2896739999999996,-0.010920250000005703,-0.13346300000000502,-0.0011797499999996195,-0.0012099999999995734,-0.001240249999999555,-0.001270499999999509,-0.0013007499999994352,-0.001330999999999389,12.292753764941379,-0.4634173046306937,-5.663704011165514,-0.05006447335345737,-0.051348177798419214,-0.05263188224338017,-0.053915586688340233,-0.05519929113330119,-0.05648299557826125,66.77443355176989,-2.517290153738469,-30.7653300783644,-0.27195101383850595,-0.2789241167574472,-0.2858972196763885,-0.29287032259532975,-0.29984342551427456,-0.3068165284332156,4.214285714285709,-0.6390306122448982,-1.6989795918367379,0.0216836734693863,0.020408163265305514,0.019132653061224615,0.017857142857143272,0.016581632653061708,0.015306122448980143,0.001413577497566917,-8.025244770399665E-5,-3.504802592315029E-4,-6.480067829745529E-7,-1.9567305963634643E-8,-1.8129293818002553E-10,5.679154236828833E-20,6.116012255046435E-20,-6.224123582787155E-20,26.405979003826506,-1.0135628304499544,-6.308380948932383,-0.0393621978041338,-0.0428947027352709,-0.04689820832389462,-0.05147364328232174,-0.056752991311276105,-0.06291223067838952,49.10304553329975,-1.8847633639045713,-11.730703752053289,-0.0731956876428037,-0.07976453140561628,-0.087209221003474,-0.09571743768674167,-0.1055346107828178,-0.11698797939490663,0.0051727499999999925,-1.985500000001037E-4,-0.001235768518518565,-7.710784313723003E-6,-8.402777777774814E-6,-9.18703703703374E-6,-1.0083333333329436E-5,-1.111752136751654E-5,-1.2324074074068418E-5,0.2195134600882389,-0.008425769175103522,-0.05244170380708809,-3.272187800879567E-4,-3.5658456804457786E-4,-3.8986579439540865E-4,-4.279014816534939E-4,-4.7178881310513834E-4,-5.229906997987153E-4,1.192400599138748,-0.045768911886153986,-0.28486416739226295,-0.0017774576067876207,-0.001936973033037828,-0.002117757182788063,-0.002324367639645474,-0.0025627643206348255,-0.0028408937817890334,0.07525510204081623,-0.011618738404452695,-0.01573129251700683,1.4172335600906078E-4,1.4172335600906607E-4,1.4172335600907122E-4,1.4172335600907358E-4,1.4172335600907442E-4,1.417233560090754E-4,-0.05677258434159363,-0.2479384822089753,-4.584161703832422E-4,-1.384240057394402E-5,-1.2825114894094678E-7,4.0175754400476294E-17,4.3266197046666776E-17,-4.403100356011795E-17,-0.038383838383840206,-0.23889971843188362,-0.001490654741429197,-0.0016244314489932375,-0.001776045050899214,-0.0019493177387917588,-0.0021492477632831563,-0.00238249945852312,-0.038383838383841164,-0.23889971843188398,-0.001490654741428722,-0.0016244314489927741,-0.0017760450508987706,-0.0019493177387913724,-0.0021492477632827963,-0.0023824994585227915,-0.03838383838385849,-0.2388997184318915,-0.0014906547414282566,-0.001624431448992282,-0.0017760450508982175,-0.0019493177387906724,-0.0021492477632819207,-0.0023824994585217602,-0.03838383838383566,-0.2388997184318804,-0.0014906547414287167,-0.0016244314489928763,-0.0017760450508988942,-0.0019493177387914537,-0.0021492477632829034,-0.00238249945852289,-0.03838383838385534,-0.23889971843188923,-0.0014906547414278808,-0.0016244314489919517,-0.001776045050897899,-0.0019493177387904096,-0.002149247763281794,-0.002382499458521713,-0.15439137134052414,-0.2090395480225995,0.0018832391713746407,0.001883239171374711,0.0018832391713747793,0.0018832391713748107,0.0018832391713748218,0.0018832391713748348,1.5744793819404375,1.4442344852361755,0.9573908969055148,0.9562519930568053,0.95542809309633,0.9545020207003735,0.9534336266156936,0.9521871668502342,1.5555555555555582,1.4592809183452482,0.9712188969154932,0.9693794671864865,0.9672947801602789,0.9649122807017562,0.962163242864999,0.9589560320554489,1.5555555555555576,1.4592809183452473,0.9712188969154923,0.9693794671864857,0.9672947801602784,0.9649122807017554,0.9621632428649984,0.9589560320554483,1.5555555555555551,1.4592809183452482,0.9712188969154927,0.9693794671864858,0.9672947801602781,0.9649122807017552,0.9621632428649978,0.9589560320554474,1.5555555555555522,1.4592809183452418,0.9712188969154885,0.9693794671864817,0.9672947801602743,0.9649122807017515,0.9621632428649947,0.9589560320554448,1.5555555555555542,1.459280918345244,0.9712188969154901,0.9693794671864836,0.9672947801602763,0.9649122807017535,0.9621632428649964,0.9589560320554463,1.7203389830508495,1.2688323917137492,0.8529965658579827,0.8609934086629013,0.8700564971751424,0.8804143126177036,0.8923656381283511,0.9063088512241066,224.32420920933717,112.16210460466854,177.9851524265985,224.32420920933714,12.462456067185396,112.16210460466854,-8.526512829121202E-14,1.4432899320127035E-15,8.018277400070575E-17,-61.509332181988015,141.4961896525919,7.8608994251439945,8.914091019246877,224.32420920933717,112.16210460466854,177.9851524265985,224.32420920933714,12.462456067185396,112.16210460466854,-8.526512829121202E-14,1.4432899320127035E-15,8.018277400070575E-17,-61.509332181988015,141.4961896525919,7.8608994251439945,8.914091019246877,224.32420920933717,112.16210460466854,177.9851524265985,224.32420920933714,12.462456067185396,112.16210460466854,-8.526512829121202E-14,1.4432899320127035E-15,8.018277400070575E-17,-61.509332181988015,141.4961896525919,7.8608994251439945,8.914091019246877,224.32420920933717,112.16210460466854,177.9851524265985,224.32420920933714,12.462456067185396,112.16210460466854,-8.526512829121202E-14,1.4432899320127035E-15,8.018277400070575E-17,-61.509332181988015,141.4961896525919,7.8608994251439945,8.914091019246877,224.32420920933717,112.16210460466854,177.9851524265985,224.32420920933714,12.462456067185396,112.16210460466854,-8.526512829121202E-14,1.4432899320127035E-15,8.018277400070575E-17,-61.509332181988015,141.4961896525919,7.8608994251439945,8.914091019246877,224.32420920933717,112.16210460466854,177.9851524265985,224.32420920933714,12.462456067185396,112.16210460466854,-8.526512829121202E-14,1.4432899320127035E-15,8.018277400070575E-17,-61.509332181988015,141.4961896525919,7.8608994251439945,8.914091019246877,238.82355543687237,119.33770364436205,189.98971349632734,238.69186819407392,13.260659344115219,119.33770364436205,-0.14814814814828026,2.7755575615628914E-16,1.5419764230904953E-17,-64.4769177080453,141.11870670864798,7.839928150480443,8.909282569926514,0,11.890000000000002,12.110335656157309,-0.17050521763904578,0.05006146630145666,5.117340556679238,7.629202222217388,17.0,55.0,55.0,55.0,17.0,0.0,0.0,0.0,0.0,0.0,41.54186599999999,3.5516322317963627,3.4876972225847465,3.3835587458624956,3.242812952717805,3.0704226274091146,2.8726313176965226,2.6568236022871714,2.431294242191838,1.9572394907427852,1.9119059420688873,1.8383215701250408,1.7395950499046307,1.6202628500529908,1.4862395048683386,1.3445026568000225,1.202447703294987,3.5795073740797627,3.5168173604370083,3.414769755430982,3.2769869168856873,3.108471828330378,2.9155221093861554,2.7055833579695716,2.4869976992370857,1.898758876356212,1.8507821119204717,1.772978768151064,1.668663436718934,1.5425628363418458,1.4007499686457485,1.2503662715770423,1.0990467559167922,3.7010638793512323,3.643944124823067,3.5511952895048924,3.426475560368181,3.2748563454875006,3.1027318759655897,2.9176287485639776,2.727842171121975,1.7251436362708479,1.669142202609147,1.578245764829682,1.45609973705073,1.307763930920611,1.139621960256393,0.9591809253902924,0.7746832669660503,3.5999866639576266,3.5382211697967842,3.43772383090656,3.3021328786644757,3.136476009712009,2.947083900182645,2.7414374804087314,2.5278997130107728,1.861388672551082,1.8117016024970403,1.731141127040292,1.6231292431990678,1.4924975048950389,1.3454118774118138,1.189114042543444,1.0313890953563893,3.7597060704189253,3.7053117268675897,3.617066847171639,3.4985849895645225,3.354893698743439,3.1923449118906175,3.0184003938828403,2.8412080872393957,1.6704149170945426,1.6118759439761374,1.5167685007126266,1.3887565259844292,1.2329134133398296,1.0556325806940319,0.8644493242376294,0.6677075243961613,3.6174799785119385,3.5691468349358972,3.4856447193700975,3.366399728103005,3.214114081272472,3.034572311403133,2.8359244201586074,2.627861083230537,1.8207671288013831,1.7614548919301343,1.6665001449047092,1.5414881274617616,1.3936521664256378,1.231199617737837,1.0624623009697944,0.8950850635976918,0,0,0,0,0,2,16,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.313708498984765,8.914213562373096,5.9497474683058345,3.9571067811865475,2.6213203435596433,1.7285533905932737,1.1338834764831844,0.7392766952966369,0.7396504721658202,0.5243655036690056,0.37185921676911465,0.26380711874576984,0.18723716739711738,0.13296564543025183,0.09449028970693203,0.06720697229969426,13.313708498984765,8.914213562373096,5.9497474683058345,3.9571067811865475,2.6213203435596433,1.7285533905932737,1.1338834764831844,0.7392766952966369,0.7396504721658202,0.5243655036690056,0.37185921676911465,0.26380711874576984,0.18723716739711738,0.13296564543025183,0.09449028970693203,0.06720697229969426,28.294728271931554,53.86890021849971,50.78431372549014,51.44000000000004,33.17253532934137,430.79415209580844,0.5052630048559206,0.9619446467589234,0.9068627450980381,0.9185714285714293,0.5923667023096674,7.692752715996579,7.267800000000007,85.22000000000008,112.16210460466854,177.9851524265985,224.32420920933714,12.462456067185396,112.16210460466854,1.4432899320127035E-15,8.018277400070575E-17,-61.509332181988015,141.4961896525919,7.8608994251439945,8.914091019246877,434,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,16.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.600000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.5878067410574435,0.0,23.412193258942555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2939033705287217,0.0,1.3732698961937717,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2939033705287217,0.0,1.4888271604938272,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,28.0,1.5555555555555556,0.2,2.2939033705287217,0.2,1.3732698961937717,13.266609662947126,0.12673010380622837,0.29390337052872195,1.1756134821148878,0.12673010380622837,0.29390337052872195,1.1756134821148878,9.0,0.5,0.0,0.0,0.42857,0.7,0.42857,0.42857,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.11111,0.0,0.0,8.5,0.47222,8.5,0.47222,0.0,0.0,-8.5,-0.47222,0.0,0.0,23.88573,1.32698,23.88573,0.0,0.0,8.91421,0.49523,8.91421,0.0,0.0,-2.1E-4,-1.0E-5,-2.1E-4,-1.0E-5,0.0,17.0,0,0,0,0,0,0,1.0,0.9059282160429993,1.0676898236494567,1.649984495037365,2.0370823715112873,2.20043640564007,2.276256157654859,50.73198009840796,59.79063012436958,92.39913172209243,114.07661280463209,123.22443871584392,127.4703448286721,0.1559967021478377,0.1838513123408623,0.284119795876495,0.35077628263669625,0.37890510140551786,0.3919609164938654,4.901426706014606,4.739665098408148,4.15737042702024,3.7702725505463173,3.606918516417535,3.5310987644027456,0.15669812309441852,0.18467797828800547,0.2853973073457899,0.3523535072114309,0.38060880392764096,0.39372332296326157,6.698383050008051,8.639522341285542,10.933503620262906,12.164417871645144,12.778648574545217,12.99816716495723,71.26744542347804,66.05869386515188,62.955189350247565,60.03488301076138,59.21835309999893,59.25916978376144,18.0,17.0,17.066666666666666,18,0,18,3.44,2.6448,0.058823529411764705,4.705559331331742,0.0,0.0,27.408212328519852,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.08499999999999999,0.064,0.12700000000000003,0.04000000000000001,8.756,16.0,15.0,14.0,13.0,12.0,11.0,10.0,9.0,8.0,143.0,2.8903717578961645,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,4.969813299576001,1.0,0.47058823529411764,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,0.8823529411764706,17.0,1.0,2,9.0,17.0,0.8888888888888888,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.029411764705882353,0.013888888888888895,0.008333333333333333,0.005714285714285715,0.004273504273504273,0.0034013605442176874,0.002840909090909091,0.002469135802469135,0.0022222222222222227,0.002066115702479339,0.08890544667796645,112.16210460466854,177.9851524265985,224.32420920933714,12.462456067185396,112.16210460466854,1.4432899320127035E-15,8.018277400070575E-17,-61.509332181988015,141.4961896525919,7.8608994251439945,8.914091019246877,0.0,319.88418196640134,5.169925001442312,4.204692619390966,4.859812404361672,5.5254529391317835,6.192362489474872,6.863803391452954,7.5352967024440884,8.209308411646937,8.883085524404578,9.558529412264617,96.83234389457246,3.5553480614894135,0.0,4.59511985013459,0.0,5.75890177387728,0.0,6.980075940561763,0.0,8.233503140233994,8.576405051048084,254.29735121599998,4.541024128857143,34.8284297427405,1.9349127634855832,0.0,0.0,0.0,969.0,15.0,10.582000000000003,66.0,1.2397272727272728,2.1419811092467844,2.864907321869488,3.6083627415748936,4.945530050685753,5.965247810566577,7.286542895057904,8.39567900007445,9.700619715642,10.849221799632737,77.2218097578727,70.51299066626655,69.87261563136823,92.73447306665513,116.05976783243192,138.69013266091693,161.13915088876948,182.58405810941133,203.33344856795568,222.6027659368542,287.5990282903021,328.50949190975916,335.57899032598374,451.239081474148,575.1687842831805,696.8837532764292,820.1149932148611,940.0171237669247,1058.668118301672,1172.5699878342534,9.02299322843637,15.25360699193691,20.029384956551024,25.352614181455596,34.60213267018743,41.771368621901104,50.922864416610736,58.67862796568658,67.71398286433893,75.7148942257776,2.1691573263116353,2.7543905617689206,2.9468470852493103,3.931885980876229,5.088916028569002,6.178069865520216,7.333651573848725,8.431647981543918,9.557345452146167,10.62604130834825,177.43632193628335,330.07670239201957,470.27824656801323,582.3951819965976,809.3792898936691,973.3684455011595,1196.6641709387711,1378.267709243244,1598.9460393810161,1789.3394297829457,2.314895454545454,3.378515450586166,3.9999253756630937,5.214412598583689,6.947315484938118,8.43522647436515,10.174600131364034,11.747891010701023,13.480278051088497,15.090122674999161,0.4493499545454541,0.581869207011056,0.6292066382099842,0.8375802362512315,1.0875357695541432,1.3203917528210796,1.5700776917022237,1.8058929441389433,2.0495299423274824,2.2800548735683623,760.7329958753394,746.4734660929489,19.339340940568416,220.86387919917527,-216.72390488444083,-13.197184252431954,539.8691166761641,963.1973709773897,32.53652519300037,0.7749953317828063,0.7604684622047955,0.019701917795021846,0.22500466821719367,-0.2207870770452371,-0.013444607035276201,746.7331315173068,732.7360216428802,18.983436633262585,216.79929363874552,-212.73550778851347,-12.9543148219698,0.026903003344731485,0.06641070660318261,0.40886773300032075,4.410969372763343,981.5968750745146,0.0,1.0,0.0,1055.3866754845492,32.48671536927901,10.181314874118694,1423.49404659248,37.7292200634002,11.249120053887372,1804.077369451015,42.47443194971552,12.17358202185375,4.994331973261886,4.994331973261886,10848.30119813991,10794.602206393722,113.70841811248283,1.0049746151566736,95.40455648066914,94.93230479836126,7.653189717725082,11.837186512466076,22.40291636690961,0.892587934076773,10.598221030567625,16.12487435903315,5.6697395932685435,75.62907229831741,31.21531943465229,0.14368650056842328,12.304690176361778,10.135592898464983,56.50116797495072,1.5178796419965424,2.1935832655507808,57.60247197181678,5.55522617043407,64.67709676418028,2.707161541052115,0.7690664779627407,28.61663709821423,4.699874623396842,59.97700628876089,4.287088567325311,1.7834478876576678,18.540064650787752,5.278308631186018,48.13106101232908,5.79534350800073,2.7463770909116607,10.355508446711738,4.25210122570144,32.36227732104266,7.251381242989022,0.8894352509415692,16.12407910067978,0.406415652705613,16.256357541065388,0.22462265324972222,0.0013654201817654397,1.871119202401631,0.3457272137976829,14.953913943370749,0.04776076234143295,0.022743408686220944,3.7772626378542684,0.15745937291772083,13.4928891492541,0.11438881836210951,0.07877494673474772,1.008446442616498,0.08700890698691309,10.747938206787747,0.1862797982146108,0.19529604701704956,0.27763250693507063,0.07090236418219417,7.659266760575689,0.2518138850679984,0.26948052594270044,0.09969807702048285,0.06239341496230284,4.826399715515097,0.30676767121346327,2.8712054125312307,16.12413373758106,1.3576930554480178,20.389668723605574,2.3032844473963197,0.011075813010138854,4.0006126175084455,1.4487312950850775,20.281088072938314,0.2066443216626244,0.17116016582108542,12.726941283197204,0.7117437057289268,21.48738547926959,0.443591143580246,0.20848388276165136,4.140719727326705,0.48344246977149935,18.51874763396074,0.7156618379320885,0.5124124043639195,1.7304640736545556,0.4740485970135495,13.805605539554868,0.967437028364555,0.6869161302204275,0.8266833036354043,0.3954388070959764,8.870242635665447,1.189141804971514,10.003856122081116,16.124787575924316,5.303981320912357,69.1691612797598,27.815572475082035,0.12813172240482967,11.665876305911132,9.219531116651417,52.84206883238964,1.3779284725346481,1.9564316365963872,53.58663943932799,5.03108610361606,60.67574293123525,2.4776670831898606,0.722847158909311,26.0409529546107,4.224622040200932,56.157394967368525,3.9271928397341744,1.6837250264860586,16.61726024180797,4.726100839445262,44.90525447875983,5.308830540109168,2.563558074785143,9.244252350435392,3.810886239593024,30.11872509481948,6.636911717468693,4.231628500393893,16.124203220169015,2.047259939358304,25.598243917860735,4.991302236670171,0.02348425061800007,5.462508664690512,2.4717469362531053,24.874367368867144,0.35763782374647624,0.36054553498867015,19.475500199349437,1.254811044969661,27.703789659720506,0.7289736019227174,0.300848815044918,7.0341633055439425,0.9174482020478856,24.529518246106647,1.1704227087149657,0.7321988919358858,3.4032582898117782,0.9467030577175359,18.652807445582024,1.5821879412063855,0.9996466773195001,1.7314614741215018,0.7791051186648419,12.114403558418214,1.9537669031783902,12.798886760168246,16.12523893519874,7.073415781663891,102.75496758904701,45.50904933700246,0.20904740136909028,14.670019118122966,13.886984136556668,71.31585197622552,2.09277205783613,3.19002201023581,73.28958369234554,7.715804378901427,80.47773666324365,3.6372265742346115,0.944692284126319,39.15868952639591,6.6784948129999755,75.0342820488217,5.743208223732349,2.1555123028197,26.573124106820643,7.587909726549614,60.92424139321814,7.763750801059066,3.4586820534618945,15.018857090254686,6.095462041706205,41.302510377427765,9.741449933222073,6.91559535561374,15.581211328598949,3.381949389312516,40.26973678807171,12.913453467541775,0.059839403240949204,8.10038032674804,4.9260454774571185,35.20398652728308,0.7269217894380582,0.9150258782239015,33.388688199858485,2.6138306230687474,40.787640169570835,1.3749759005199105,0.46799164202801646,14.164362863711576,2.0871833686996104,37.38681713356943,2.1912206059395287,1.1153835628443043,8.094587060571667,2.271990278887171,29.4741813368865,2.9621168591251283,1.607608594999792,4.3602247455023715,1.8444504851443342,19.748737034913027,3.6839850276981188,44.80933119223938,0.8114550983850306,0.5316383625000002,0.9708987453859782,0.017582068645013153,0.5566658052583372,0.68168925433335,0.6428472498744834,46.152424653124406,60.61452037067605,126.09772006298545,0.9563481180789672,1.8812023094661705,42.33030375587677,0.3290700079900173,0.1179162532569491,0.9895508513730523,0.007692633354246859,0.4968044914384619,0.11211842838284504,0.03162441564528318,42.77729001712374,18.959866915689194,63.37968711201381,0.9843262770595784,0.6405473354665902,43.33175085811516,0.5240046435326224,0.28505594471916157,0.9816709171911163,0.011871205498098093,0.5205754534836199,0.2843591387469865,0.1848142149764411,44.14081144636694,35.20738247794581,85.82068522595353,0.9725063757866744,0.9897488072070475,44.749630128671136,0.7998444151841593,0.52167580374787,0.9713156669854939,0.01736106889342673,0.5551840709246856,0.6623385961534658,0.6189799116413722,46.071150347603165,59.554800482933246,124.2981581460775,0.9569735004782408,1.8365025787195237,43.77089402398855,0.6094561201862483,0.3583440800407081,0.9783677146369837,0.0136225728254798,0.5311749682713298,0.3846569096407354,0.29206239037060555,44.73869422421551,42.57987499324232,96.87791329888232,0.9675515719554755,1.2078942682826708,44.99570656261441,0.847699531103002,0.5627393096536663,0.9696066366103699,0.01826696709529817,0.5613042404457146,0.7438788662942841,0.7202606256393246,46.40614540337108,63.940726052127715,131.8113465422364,0.9544099549155549,2.025443732379323,44.86603528545494,0.8021715103758496,0.523771303535021,0.9712949549149298,0.017366035042930168,0.5580746333152496,0.666151647389277,0.6239626129436502,46.19197809936581,59.90995149306874,124.95259251997915,0.9569424323723946,1.8481888936481767 +UMLCN0301,L,n-hexadecane,CCCCCCCCCCCCCCCC,Alkanes,,C16H34,NREL (2014),CFR,PubChem,,100,0,-3.9293999999999993,15.440184359999995,52.559799999999996,50.83096199999996,0,0,50,16,34,0,16,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2342.7721119999965,2575.602807000001,2790.658430000002,2642.6727729999975,2445.916043999997,2249.1593149999962,2052.4025859999942,1855.6458569999945,1658.889127999995,7833.117738640897,10253.798482837583,13664.5817280814,14149.803115810953,13143.004770855823,12136.206425900693,11129.408080945563,10122.609735990427,9115.811391035284,349.07603199999994,355.1072280000002,681.2296880000013,940.8310600000032,877.9461600000027,815.0612600000021,752.1763600000015,689.291460000001,626.4065600000006,59.73923876486606,79.69400653999996,116.97660531697979,129.29649589033562,120.27496703093962,111.25343817154366,102.2319093121477,93.21038045275176,84.18885159335582,8315.909866264466,7108.081963588604,14967.07198394477,22364.16412607007,20885.208971031494,19406.253815992917,17927.298660954337,16448.343505915756,14969.38835087716,73.5,89.25,148.0,183.75,171.5,159.25,147.0,134.75,122.5,46.85544223999993,52.56332259183676,29.069358645833358,19.575353874074057,19.41203209523807,19.223583888888857,19.003727648148097,18.74389754545449,18.432101422222168,156.66235477281793,209.26119352729762,142.33939300084793,104.81335641341447,104.30956167345892,103.72826005043328,103.05007482357003,102.24858319182249,101.28679323372538,6.9815206399999985,7.24708628571429,7.0961425833333465,6.969118962962987,6.967826666666688,6.966335555555574,6.9645959259259405,6.96254000000001,6.960072888888895,1.194784775297321,1.6264082967346931,1.218506305385206,0.9577518214098935,0.9545632304042827,0.9508840869362706,0.9465917528902565,0.9415189944722401,0.9354316843706202,166.31819732528933,145.06289721609394,155.90699983275803,165.66047500792644,165.7556267542182,165.8654172307087,165.99350611994757,166.14488389813894,166.32653723196844,1.47,1.8214285714285714,1.5416666666666667,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,1.3611111111111112,0.07079763018400045,-0.004413884623719816,-0.03367051315712886,-9.91450377951274E-5,-2.8176920587564495E-6,-2.447454666124234E-8,-6.7220534694101275E-18,3.7368112076885396E-15,8.51510051705362E-13,1317.198177919997,-55.98092256160214,-601.6496383264009,-6.779696503998936,-6.9734021183991235,-7.167107732799197,-7.3608133471992705,-7.554518961599344,-7.7482245759994175,2449.3862582187403,-104.0989159742972,-1118.7931938275588,-12.607135152595337,-12.96733901409846,-13.32754287560181,-13.687746737104934,-14.047950598608285,-14.40815446011118,0.25803007999999966,-0.010966278400000067,-0.11785903359999983,-0.001328096000000012,-0.0013660416000000454,-0.0014039872000000788,-0.0014419328000000843,-0.0014798784000000756,-0.0015178240000000673,10.94989621915714,-0.46537058931414566,-5.00152612598557,-0.05635975995155512,-0.05797003880731172,-0.05958031766307009,-0.06119059651882758,-0.06280087537458506,-0.06441115423034255,59.48001005032516,-2.527900427139746,-27.16836929651696,-0.30614711055310817,-0.31489417085461735,-0.3236412311561303,-0.3323882914576395,-0.34113535175914866,-0.34988241206065784,3.8800000000000003,-0.6423999999999985,-1.5296000000000012,0.023999999999998224,0.022399999999999066,0.020799999999999465,0.01919999999999964,0.017599999999999817,0.016000000000000215,0.001415952603680009,-9.007927803509828E-5,-3.507345120534256E-4,-7.344076873713141E-7,-2.2362635386955947E-8,-2.0918415949779776E-10,-6.224123582787155E-20,3.7745567754429693E-17,9.461222796726244E-15,26.343963558399942,-1.1424678073796355,-6.267183732566676,-0.05021997410369582,-0.0553444612571359,-0.06125733104956579,-0.06815567914073399,-0.0763082723393873,-0.0860913841777713,48.98772516437481,-2.124467672944841,-11.65409576903707,-0.09338618631552101,-0.10291538900078143,-0.11391062286839154,-0.12673839571393458,-0.14189849089503317,-0.16009060511234646,0.005160601599999993,-2.2380160000000138E-4,-0.0012276982666666648,-9.837748148148238E-6,-1.084160000000036E-5,-1.1999890598291271E-5,-1.3351229629630411E-5,-1.4948266666667431E-5,-1.686471111111186E-5,0.21899792438314278,-0.00949735896559481,-0.05209923047901635,-4.1747970334485274E-4,-4.600796730739025E-4,-5.092334842997444E-4,-5.665795973965516E-4,-6.343522765109602E-4,-7.156794914482506E-4,1.1896002010065032,-0.05158980463550502,-0.2830038468387183,-0.002267756374467468,-0.0024991600861477567,-0.0027661643688558146,-0.003077669365348514,-0.0034458116339307946,-0.0038875823562295317,0.0776,-0.013110204081632623,-0.015933333333333344,1.777777777777646E-4,1.7777777777777036E-4,1.777777777777732E-4,1.7777777777777445E-4,1.7777777777777594E-4,1.7777777777778017E-4,-0.06361743874829252,-0.24770215552546,-5.186668575364848E-4,-1.5793350235619663E-5,-1.4773387114380507E-7,-4.395714635229234E-17,2.6657366677620667E-14,6.681878173137202E-12,-0.043367346938777265,-0.23789828431372637,-0.0019063180827883761,-0.0021008403361341943,-0.002325289089994717,-0.00258714596949866,-0.0028966131907305925,-0.003267973856208912,-0.043367346938775815,-0.23789828431372523,-0.0019063180827885015,-0.0021008403361343314,-0.0023252890899949446,-0.00258714596949895,-0.002896613190731003,-0.0032679738562093642,-0.043367346938775836,-0.23789828431372545,-0.001906318082788691,-0.0021008403361345265,-0.002325289089995106,-0.0025871459694990656,-0.0028966131907309897,-0.0032679738562092996,-0.043367346938772464,-0.2378982843137241,-0.0019063180827890438,-0.0021008403361347876,-0.002325289089995331,-0.0025871459694992603,-0.002896613190731177,-0.003267973856209477,-0.04336734693879141,-0.23789828431373242,-0.0019063180827884466,-0.002100840336134152,-0.002325289089994608,-0.002587145969498444,-0.0028966131907302503,-0.003267973856208418,-0.16894592888701834,-0.2053264604810998,0.002290950744558822,0.0022909507445588962,0.002290950744558933,0.002290950744558949,0.0022909507445589682,0.002290950744559023,1.5832769850053434,1.4376261643427068,0.9522385843626805,0.950837638031816,0.9497577665827496,0.9485159621990414,0.9470485529519688,0.945287661848991,1.5625000000000047,1.4543121936274555,0.9674564270152536,0.9650735294117677,0.9623240321769764,0.9591162854030532,0.955325311942962,0.9507761437908526,1.5625000000000004,1.4543121936274512,0.9674564270152508,0.9650735294117648,0.9623240321769736,0.9591162854030504,0.9553253119429593,0.9507761437908501,1.5624999999999996,1.4543121936274526,0.9674564270152514,0.9650735294117653,0.9623240321769737,0.9591162854030499,0.9553253119429587,0.9507761437908494,1.5624999999999971,1.4543121936274461,0.9674564270152475,0.9650735294117618,0.9623240321769706,0.9591162854030476,0.9553253119429566,0.9507761437908476,1.562499999999997,1.4543121936274472,0.9674564270152481,0.9650735294117623,0.962324032176971,0.9591162854030478,0.9553253119429568,0.9507761437908476,1.7396907216494844,1.2497315292096218,0.8419243986254294,0.851947308132875,0.8635122037183891,0.877004581901489,0.8929501197542434,0.9120847651775487,177.07673655063593,88.53836827531794,140.5818027352267,177.07673655063587,11.067296034414742,88.53836827531794,-7.105427357601002E-14,7.216449660063518E-16,4.5102810375396984E-17,-55.78399742844082,114.91260732245561,7.182037957653476,7.590675045022073,177.07673655063593,88.53836827531794,140.5818027352267,177.07673655063587,11.067296034414742,88.53836827531794,-7.105427357601002E-14,7.216449660063518E-16,4.5102810375396984E-17,-55.78399742844082,114.91260732245561,7.182037957653476,7.590675045022073,177.07673655063593,88.53836827531794,140.5818027352267,177.07673655063587,11.067296034414742,88.53836827531794,-7.105427357601002E-14,7.216449660063518E-16,4.5102810375396984E-17,-55.78399742844082,114.91260732245561,7.182037957653476,7.590675045022073,177.07673655063593,88.53836827531794,140.5818027352267,177.07673655063587,11.067296034414742,88.53836827531794,-7.105427357601002E-14,7.216449660063518E-16,4.5102810375396984E-17,-55.78399742844082,114.91260732245561,7.182037957653476,7.590675045022073,177.07673655063593,88.53836827531794,140.5818027352267,177.07673655063587,11.067296034414742,88.53836827531794,-7.105427357601002E-14,7.216449660063518E-16,4.5102810375396984E-17,-55.78399742844082,114.91260732245561,7.182037957653476,7.590675045022073,177.07673655063593,88.53836827531794,140.5818027352267,177.07673655063587,11.067296034414742,88.53836827531794,-7.105427357601002E-14,7.216449660063518E-16,4.5102810375396984E-17,-55.78399742844082,114.91260732245561,7.182037957653476,7.590675045022073,189.73463528651632,94.7944009765915,151.11023448179373,189.6070311198497,11.850439444990606,94.7944009765915,-0.14583333333331439,1.1102230246251565E-16,6.938893903907228E-18,-58.77888091148336,114.48145803753813,7.155091127346133,7.584660594150478,0,11.890000000000004,12.110287805853517,-0.17050520503935002,0.05000921005099096,5.117283083235749,7.613970644030794,15.0,49.0,49.0,49.0,15.0,0.0,0.0,0.0,0.0,0.0,37.16903799999999,3.5465347021657787,3.4676865844319966,3.3399499940349564,3.1687778622292275,2.9616684485116203,2.7279938079507042,2.4787015814671958,2.2257923885222457,1.9538381385059749,1.8985556776612356,1.8092938571098593,1.6906586803842962,1.549421296409491,1.3943326377173086,1.2353705836891562,1.082376542009509,3.5745242351244486,3.4972648487243543,3.3721946425128566,3.2047988957109617,3.0026273804384944,2.7751202195839473,2.533289588615222,2.289144385423,1.8951167807596088,1.8365102894174328,1.7420089161968861,1.6165326151227641,1.467123751537301,1.3027583086357912,1.1336843482172332,0.9701741092342484,3.6965898784603795,3.6264197020938225,3.5131562531932325,3.362298782503891,3.181450848680012,2.980126546017893,2.769317765186813,2.560659054300621,1.720771504570067,1.6520207633044575,1.5410981632633247,1.393474710502817,1.2167265629116066,1.0203382815086224,0.8152449591627149,0.6129447859717025,3.5950882987573487,3.5190076943616297,3.395911902670393,3.2313043321065185,3.0327645924393107,2.8097716018709935,2.5733685553573644,2.335546218543559,1.85759096344424,1.7968288106473331,1.6988889179953308,1.5688604395456043,1.4139418546194857,1.2432475342739664,1.0671962509817046,0.8963387739569236,3.7554802165230594,3.6887669382010286,3.5811879684708146,3.4381534219591403,3.267177866092432,3.0776811008860587,2.880493583429727,2.686894952186096,1.6658115096475477,1.5938380987700904,1.4775884665466887,1.3225816977526825,1.1364374347763893,0.9286869553088886,0.7103717749473799,0.4932755772172187,3.6102129696977605,3.5513777080102784,3.4490135573216674,3.3029338656619367,3.1181446368100554,2.9041771559525147,2.67371999221379,2.441013841025199,1.8197697016752437,1.7463389197455943,1.6300468473576044,1.4794645487387441,1.3053354322907265,1.1192142507364147,0.9319858253008714,0.7528225172198648,0,0,0,0,0,2,14,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.899494936611669,7.914213562373096,5.2426406871192865,3.4571067811865475,2.2677669529663693,1.478553390593274,0.9571067811865477,0.6142766952966369,0.7437184335382293,0.5276142374915397,0.37447433479423475,0.26593129086050366,0.18898057941386412,0.13441394459938855,0.09571067811865477,0.06825296614407077,11.899494936611669,7.914213562373096,5.2426406871192865,3.4571067811865475,2.2677669529663693,1.478553390593274,0.9571067811865477,0.6142766952966369,0.7437184335382293,0.5276142374915397,0.37447433479423475,0.26593129086050366,0.18898057941386412,0.13441394459938855,0.09571067811865477,0.06825296614407077,25.21107266435981,48.0932265112892,45.33333333333329,45.92000000000002,29.575426347305438,384.7376419161677,0.5042214532871963,0.961864530225784,0.9066666666666658,0.9184000000000004,0.5915085269461088,7.694752838323354,6.487600000000007,75.98600000000008,88.53836827531794,140.5818027352267,177.07673655063587,11.067296034414742,88.53836827531794,7.216449660063518E-16,4.5102810375396984E-17,-55.78399742844082,114.91260732245561,7.182037957653476,7.590675045022073,338,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,14.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.2000000000000006,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.580440283444987,0.0,20.419559716555014,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2902201417224934,0.0,1.3727777777777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2902201417224934,0.0,1.4860146604938271,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,25.0,1.5625,0.2,2.2902201417224934,0.2,1.3727777777777779,11.820977985827751,0.1272222222222222,0.29022014172249355,1.1608805668899744,0.1272222222222222,0.29022014172249355,1.1608805668899744,8.0,0.5,0.0,0.0,0.428,0.7,0.428,0.428,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.125,0.0,0.0,7.5,0.46875,7.5,0.46875,0.0,0.0,-7.5,-0.46875,0.0,0.0,20.42601,1.27663,20.42601,0.0,0.0,7.91421,0.49464,7.91421,0.0,0.0,-2.1E-4,-1.0E-5,-2.1E-4,-1.0E-5,0.0,15.0,0,0,0,0,0,0,1.0,0.904381457724494,1.0783220795483648,1.70115093316285,2.1084930703645584,2.2605038327557687,2.307601311512057,45.2190728862247,53.91610397741824,85.0575466581425,105.42465351822791,113.02519163778844,115.38006557560286,0.1602417615393904,0.19106122539089823,0.3014164209649629,0.37359085693654415,0.4005247045187374,0.40886961572352987,4.739474732050231,4.565534110226359,3.942705256611874,3.535363119410166,3.3833523570189556,3.3362548782626673,0.16107358756434734,0.19205303737619797,0.3029810943740629,0.3755301928156582,0.40260385585641767,0.41099208607024634,6.693715826846142,8.781003288732594,11.229761595731441,12.475755646803329,13.00477966730046,13.052245685335134,63.36307636776333,58.28737500568233,55.35452822295242,52.655284728851285,52.13360217487471,52.52994988709879,16.0,15.0,15.076923076923077,16,0,16,3.2199999999999998,2.3630000000000013,0.06666666666666665,4.631272037803469,0.0,0.0,23.267138275621512,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.08499999999999999,0.064,0.12700000000000003,0.04000000000000001,7.758,14.0,13.0,12.0,11.0,10.0,9.0,8.0,7.0,6.0,121.0,2.772588722239781,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,4.804021044733257,1.0,0.4666666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,0.8666666666666667,15.0,1.0,2,8.0,15.0,0.875,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.03333333333333333,0.01587301587301588,0.009615384615384616,0.006666666666666668,0.00505050505050505,0.004081632653061225,0.003472222222222222,0.0030864197530864187,0.0028571428571428576,0.0027548209366391185,0.10037330660915411,88.53836827531794,140.5818027352267,177.07673655063587,11.067296034414742,88.53836827531794,7.216449660063518E-16,4.5102810375396984E-17,-55.78399742844082,114.91260732245561,7.182037957653476,7.590675045022073,0.0,285.2922127146674,5.0,4.07753744390572,4.727387818712341,5.389071729816501,6.052089168924417,6.720220155135295,7.388327859577107,8.059276223305648,8.729882284826589,9.402364704231523,91.54615738843512,3.4339872044851463,0.0,4.465908118654584,0.0,5.6240175061873385,0.0,6.840546529288687,0.0,8.089789175789319,8.434463543817241,226.26605108799998,4.52532102176,30.82843759672344,1.926777349795215,0.0,0.0,0.0,680.0,13.0,9.444,58.0,1.2385102040816327,2.139611683402001,2.8631930401518653,3.6059083512244645,4.943058654737418,5.962013076939898,7.283080063477905,8.391217931380554,9.69556777908862,10.8425960869339,76.60959731308158,69.62927690950092,68.87439934233747,91.23759577347116,113.89773965181729,135.68771885191438,157.0081423621798,176.96475461291783,195.6512662130759,212.04621747481863,286.0634011664614,325.7495082351459,332.6058916906386,446.6815484096818,568.650779986849,687.7425823790888,807.5840399105388,922.878930525858,1035.2814937620926,1140.3230773755488,9.012418738040823,15.230917571511673,20.01095285340752,25.325109066132597,34.569828465164996,41.72723255212993,50.86888451930994,58.60624608540695,67.62214093577462,75.59006406215748,2.1602278424289785,2.7364257601566346,2.9280393977085746,3.9027946612901148,5.04767130601469,6.120006678278703,7.254353723606647,8.322975424410538,9.409349878820866,10.421719164065735,177.36899011076758,330.1355003517622,470.46289078178563,582.746137647381,810.0675820902075,974.4096175674377,1198.2703658348728,1380.549879213014,1602.2531096684315,1794.0034472142543,2.3221989795918363,3.3757269581821485,3.9978371441947966,5.211582997901941,6.944376373210209,8.431488368488546,10.170512808902501,11.742724431856926,13.474334620122823,15.082438394457107,0.4475998469387752,0.578275258567463,0.6254668998474862,0.8317875917488139,1.0793412595064744,1.3088493536289847,1.5543296875313524,1.7843051600740785,2.020146729027218,2.2394813864409366,696.6896661365029,610.0637294031941,17.648137450730747,187.08802753180888,-163.82562473716976,-11.018305698433437,509.601638604694,773.8893541403638,28.666443149164184,0.7883087241597383,0.6902909337652456,0.01996897814593884,0.2116912758402617,-0.1853697212668673,-0.012467281961710937,615.7187863406646,539.1607157626438,15.597030213748178,165.34422548501567,-144.7854327939862,-9.73773279829392,0.030147204745098213,0.07441909528011378,0.45817261004202,4.942882959983559,883.7776936683117,0.0,1.0,0.0,931.2235371922492,30.51595545271767,9.765278826845286,1260.5827639730292,35.50468650717858,10.802487892701938,1572.0586914069477,39.64919534375127,11.627586669554816,4.689051558998678,4.689051558998678,7653.027508107396,7605.430743001751,100.94772530091905,1.0062582602766375,75.81178758901387,75.34028845454836,7.0792264430807,10.582349022805118,19.925723347507738,0.8829206355382448,9.482618816823384,14.227839743613268,5.077074580348123,65.68331677009019,27.26562013728702,0.14365521943370044,10.716064027073253,9.859537952853863,47.772370895599664,1.4562561383641957,2.1927711105832652,48.50401958152322,5.334149000568351,52.747023540680765,2.7070251796550493,0.7649854386915748,22.519846987048282,4.699852647709111,46.35449625062817,4.287087335283479,1.7712760107073746,13.309507058536155,5.2783085914288055,33.828288711383635,5.795343478482542,2.7171979410001095,6.235641083427717,4.25210111298351,18.47907092297535,7.251381241702264,0.7958104876842839,14.22712869596657,0.3621817884897992,14.229572342614278,0.19648996498125787,0.0013343950320053543,1.6260010681540418,0.34378222527208857,12.796009635343703,0.047326688296783895,0.021931256614724382,3.152536197938375,0.15590230717293616,11.193617221411664,0.11438785740200025,0.07469697023868108,0.8044898394682147,0.08700874843288506,8.526023177373624,0.18627978951370625,0.1832513677107107,0.20416801346540528,0.07090235199610313,5.653325000966288,0.2518138848582328,0.24168865703989256,0.06182692652493438,0.062393377801105994,3.1059907736469516,0.30676767120419546,2.5689732638434544,14.227177548250832,1.2112737419022668,17.82725881542424,2.0125905119764487,0.011044770754979095,3.4812861764362917,1.4284685978703335,17.29187304984527,0.2021213646926725,0.17034801315845047,10.643829931741989,0.6955178911786696,17.712895590258658,0.443581133998447,0.20440528123113183,3.2855046709145426,0.4834408533503159,14.539197077624053,0.7156617474469196,0.500341827655569,1.2542689890346281,0.47404858292302565,9.994556419993602,0.9674370261933369,0.6588439138132334,0.5021628392165928,0.3954387644209462,5.4555553791033535,1.1891418048765563,8.95081863554598,14.227762150387361,4.7483440026315,60.09055278709484,24.296244866122077,0.12810046937502156,10.15950948138193,8.973570640732238,44.695940017307656,1.3230230025972367,1.9556194818061639,45.10291349240271,4.834110325310269,49.50883048480482,2.4775455872577528,0.7187663071897155,20.500053749046817,4.224602459842304,43.43428044261975,3.9271917419909466,1.6715609599564174,11.932344163092955,4.726100802693159,31.60466901395412,5.3088305138077265,2.5344648530123797,5.567641340887108,3.8108861350060685,17.259029056864865,6.636911716322078,3.7861939214047835,14.227239673623586,1.8277952634301837,22.347230775306468,4.360650404262681,0.023453186184769974,4.754937814238196,2.4277353993631943,21.16306931000288,0.3478134913478305,0.35973338192023696,16.310703725964235,1.2195664089365172,22.770929525556063,0.7289518611401854,0.2967697844053101,5.5680999135913956,0.9174446954280817,19.17431887771308,1.1704225122268468,0.7201105177725755,2.457620029556718,0.9467030412141184,13.393298054431016,1.5821879364947669,0.9713811720042812,1.0478763631235586,0.7791050692625784,7.302552714092138,1.953766902972626,11.45163552225552,14.228165712834286,6.339733108990567,89.16442338553703,39.749810356838786,0.20901600205698684,12.776811535112884,13.484386260487767,60.22486261200967,2.002900147574812,3.189209854611859,61.80610809629607,7.393384104369317,65.52494685902161,3.637027705763438,0.940610550378567,30.782123485936307,6.678462765277169,57.85297339133131,5.7432064269915575,2.143311480746505,19.06123564442113,7.587909674170232,42.62766588546698,7.763750758015574,3.4291836151431774,9.038265803576293,6.0954618949027815,23.31302147488233,9.741449931346109,6.168834001124601,13.694755562680308,3.002484175002844,34.821354275633496,11.180287314039807,0.05927998274745102,7.015034939044807,4.76928171221487,29.72041744632843,0.695233488651361,0.9061619084002588,27.90525392909261,2.5000949949317626,33.30500955096617,1.362725197425713,0.4600809020764717,11.12035771645198,2.068662852761933,29.071605814769384,2.1717858681055096,1.0943162147207728,5.7851507732926,2.251839666056612,21.08064989066951,2.9358454303432016,1.5669279174923083,2.611260623097521,1.828091737778677,11.892791706882031,3.6513112636656095,35.70487776016525,0.8068785958881888,0.5293672860000003,0.9639253416067777,0.02178331855387144,0.5568698649098905,0.6720160640503554,0.6399890967854994,37.04112364205344,48.13763100277883,100.42956233556099,0.9458880124101666,1.8688750257457456,33.49448568787392,0.3281653811439611,0.11782003468522599,0.9868597753264384,0.009668851682738027,0.49009754313171394,0.11116631127210708,0.0317027305408066,33.9404711037031,14.976716584080076,50.212233775628576,0.9802896629896576,0.6329665849446277,34.3892413125389,0.5220261078774335,0.28442454411603296,0.977086665811084,0.014832102417633755,0.5166113037904256,0.28138051226031197,0.1847534335191481,35.19569196453237,27.881703115807355,68.18340776088532,0.9656299987166262,0.9827452495698856,35.65182428652344,0.7953961568115253,0.5194905520474918,0.964430519419938,0.021516551929947968,0.5552170982338438,0.6530447004997635,0.616330533900027,36.96671099538246,47.29131068952526,98.9893835950734,0.9466457791299071,1.8245923326336344,34.78081665034955,0.6068311541821139,0.35733096344002935,0.9730266417590921,0.016976682462764483,0.5284351207183025,0.38022428342948106,0.29160816332676154,35.744978767971695,33.75118539519784,77.03802117578574,0.9595399626386382,1.200267567474545,35.87044421468634,0.8427101174583528,0.5601897249280433,0.9623618465722237,0.02260892170469062,0.5620435793277954,0.7329540319632935,0.7166855599797932,37.273344057072734,50.794718084006554,105.00169352365414,0.9435427698583356,2.011683171270882,35.75210585926909,0.7975971233215429,0.5215037736022289,0.9644171039373189,0.02151527271737119,0.5583426610140347,0.6566137544000996,0.6211168162055537,37.071206756192865,47.57658481550197,99.51887677281368,0.9466256559059784,1.8360732316196882 +UMLCN0302,L,"5,6-dibutyldecane",CCCCC(CCCC)C(CCCC)CCCC,Alkanes,,C18H38,NREL (2014),Unknown,PubChem,,30,0,-1.6886000000000028,2.8513699600000093,70.3004,57.018133999999954,0,0,56,18,38,0,18,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2635.3646099999964,2912.559401000003,3420.2075220000042,3774.608564000004,4158.9774460000335,4552.490904000032,4461.740326000033,3620.5411360000035,2476.579065999994,8804.486519863294,11559.77875181832,15941.930778284523,18292.871336192282,20026.714326224155,22040.311016134398,23153.398052287757,21358.306508134076,16436.531237916988,391.0309199999998,398.65878800000036,766.7361360000011,1071.5094560000025,1136.8130800000022,1262.5828800000022,1388.2578160000019,1504.257856000003,1368.8131600000045,67.09549038426202,89.72598377999994,134.3648341763759,160.39885189518543,174.44039347033655,192.48345118912874,206.50081176852487,200.43812148490096,162.31501290308836,9309.169186541463,7974.160866620205,16826.410207253357,24967.867747853285,26261.519189712213,29219.42949978937,32155.472159112767,35832.729671154695,33616.034213796105,84.55555555555556,102.44444444444446,166.83333333333331,214.33333333333331,229.5,255.33333333333326,288.5,307.0,270.0,47.06008232142851,52.95562547272733,31.668588166666705,24.670644209150353,25.672700283950824,25.291616133333513,22.534042050505217,16.761764518518536,12.50797508080805,157.22297356898738,210.1777954876058,147.61047016930112,119.56125056334825,123.62169337175405,122.44617231185777,116.93635379943312,98.88104864876887,83.01278402988378,6.982694999999997,7.248341600000006,7.099408666666677,7.003329777777794,7.017364691358038,7.014349333333346,7.011403111111121,6.964156740740754,6.913197777777801,1.1981337568618218,1.631381523272726,1.2441188349664434,1.048358509118859,1.076792552286028,1.0693525066062708,1.0429333927703277,0.9279542661338007,0.8197727924398402,166.23516404538327,144.98474302945826,155.80009451160515,163.18867809054436,162.10814314637167,162.33016388771873,162.40137454097356,165.89226699608656,169.7779505747278,1.5099206349206349,1.8626262626262629,1.544753086419753,1.400871459694989,1.4166666666666667,1.418518518518518,1.457070707070707,1.4212962962962963,1.3636363636363635,0.07811284783381536,-0.007890546485645217,-0.029872341453687473,0.004223790875829931,5.5462628418773E-4,0.00799466253657686,-0.012246196000254542,-0.018802095213787638,1.261428058884045E-4,1478.7348242142843,-55.74595567474767,-439.1731244846969,132.33873687882465,20.07472088009942,20.383562739793064,-463.5716314005151,-497.85307782653445,-48.48817197194032,2749.770549864786,-103.66198501475131,-816.661178343309,246.08953229261752,37.32980069782725,37.90410532394772,-862.031243806825,-925.7790573061942,-90.16582630090889,0.2896739999999996,-0.010920250000005682,-0.08603100000000496,0.025924249999998535,0.0039324999999975335,0.003992999999997441,-0.09081050000000274,-0.09752599999999911,-0.009498499999995247,12.292753764941379,-0.463417304630695,-3.6508554414675185,1.1001347093311222,0.1668815778448737,0.1694489867347956,-3.853680743771272,-4.138663130552503,-0.403083195717596,66.77443355176989,-2.517290153738469,-19.83150470146642,5.975949201531379,0.9065033794617912,0.9204495852996737,-20.933254962658367,-22.48128381066239,-2.1895543165460856,5.190476190476184,-1.3537414965986334,-1.5340136054421734,0.21768707482993466,-0.4319727891156463,0.9115646258503443,0.0646258503401389,-1.1632653061224563,0.6122448979591784,0.001394872282746703,-1.4346448155718575E-4,-2.7659575420080996E-4,2.7606476312613926E-5,3.423619038195864E-6,4.4414791869871445E-5,-6.184947474876031E-5,-8.70467371008687E-5,6.370848782242651E-7,26.405979003826506,-1.0135628304499575,-4.06641781930275,0.8649590645674814,0.12391803012407049,0.11324201522107258,-2.341270865659167,-2.3048753603080296,-0.244889757434042,49.10304553329975,-1.8847633639045693,-7.561677577252861,1.608428315638023,0.2304308685051065,0.21057836291082066,-4.35369315053952,-4.286014154195343,-0.4553829611157015,0.0051727499999999925,-1.9855000000010333E-4,-7.965833333333792E-4,1.6943954248365055E-4,2.4274691358009465E-5,2.218333333331912E-5,-4.5863888888890273E-4,-4.515092592592552E-4,-4.797222222219822E-5,0.2195134600882389,-0.008425769175103546,-0.03380421705062517,0.007190422936804721,0.0010301331965732945,9.413832596377534E-4,-0.01946303405945087,-0.01916047745626159,-0.002035773715745434,1.192400599138748,-0.045768911886153986,-0.1836250435320965,0.039058491513276984,0.005595699873220933,0.005113608807220409,-0.105723509912416,-0.10408001764195551,-0.011058355134071138,0.09268707482993185,-0.02461348175633879,-0.014203829680020123,0.0014227913387577429,-0.00266649869824473,0.005064247921390801,3.263931835360551E-4,-0.005385487528344705,0.0030921459492887797,-0.10285133867215691,-0.19829468089806285,0.019791400728282327,0.002454431907883544,0.03184147568149564,-0.044340600579552594,-0.062404808079963583,4.5673348456659694E-4,-0.038383838383840324,-0.15399610136452363,0.03275618239498485,0.004692801963756521,0.004288499025340534,-0.08866442199775636,-0.08728611652588336,-0.009274026817886772,-0.03838383838384112,-0.1539961013645239,0.03275618239498506,0.004692801963756757,0.004288499025340795,-0.08866442199775607,-0.08728611652588306,-0.009274026817886045,-0.038383838383858414,-0.1539961013645315,0.03275618239498348,0.004692801963754193,0.004288499025338389,-0.08866442199775813,-0.08728611652588195,-0.00927402681788184,-0.03838383838383577,-0.15399610136452097,0.03275618239498549,0.004692801963757515,0.004288499025341503,-0.08866442199775457,-0.0872861165258821,-0.009274026817886721,-0.03838383838385534,-0.15399610136452963,0.03275618239498396,0.004692801963754981,0.0042884990253392085,-0.0886644219977568,-0.08728611652588136,-0.009274026817881852,-0.2655546288573803,-0.15324498810737328,0.015350482700725759,-0.02876882999207162,0.05463812436289532,0.003521453062737626,-0.05810397553516864,0.03336113427856523,1.6238651402254187,1.3413884856043243,0.9330787995105135,0.9748951761743064,0.9616369848663137,1.1009445135354539,1.077109929660204,0.9266553777029795,1.5555555555555582,1.3758934372969485,1.0006497725795989,1.0562414266117988,1.0506822612085787,1.1371020142949988,1.0423435131037488,0.864197530864199,1.5555555555555576,1.3758934372969476,1.0006497725795982,1.056241426611798,1.050682261208578,1.1371020142949977,1.042343513103748,0.8641975308641984,1.5555555555555551,1.375893437296948,1.0006497725795986,1.0562414266117988,1.050682261208579,1.137102014294998,1.0423435131037482,0.8641975308641991,1.5555555555555522,1.375893437296942,1.0006497725795944,1.0562414266117945,1.050682261208575,1.1371020142949955,1.0423435131037457,0.8641975308641956,1.5555555555555542,1.3758934372969445,1.000649772579596,1.0562414266117957,1.0506822612085756,1.137102014294996,1.0423435131037462,0.8641975308641964,1.86238532110092,1.095608222901802,0.7618276668465559,0.8067165024351578,0.7064220183486246,0.9454638124362906,1.128312945973498,1.0435779816513775,158.69408592836135,79.34704296418067,103.68778750638822,158.69408592836135,8.816338107131187,79.34704296418067,-1.4210854715202004E-14,2.7755575615628914E-16,1.5419764230904953E-17,-64.4769177080453,96.83416595463784,5.379675886368769,8.231399794954317,158.69408592836135,79.34704296418067,103.68778750638822,158.69408592836135,8.816338107131187,79.34704296418067,-1.4210854715202004E-14,2.7755575615628914E-16,1.5419764230904953E-17,-64.4769177080453,96.83416595463784,5.379675886368769,8.231399794954317,158.69408592836135,79.34704296418067,103.68778750638822,158.69408592836135,8.816338107131187,79.34704296418067,-1.4210854715202004E-14,2.7755575615628914E-16,1.5419764230904953E-17,-64.4769177080453,96.83416595463784,5.379675886368769,8.231399794954317,158.69408592836135,79.34704296418067,103.68778750638822,158.69408592836135,8.816338107131187,79.34704296418067,-1.4210854715202004E-14,2.7755575615628914E-16,1.5419764230904953E-17,-64.4769177080453,96.83416595463784,5.379675886368769,8.231399794954317,158.69408592836135,79.34704296418067,103.68778750638822,158.69408592836135,8.816338107131187,79.34704296418067,-1.4210854715202004E-14,2.7755575615628914E-16,1.5419764230904953E-17,-64.4769177080453,96.83416595463784,5.379675886368769,8.231399794954317,158.69408592836135,79.34704296418067,103.68778750638822,158.69408592836135,8.816338107131187,79.34704296418067,-1.4210854715202004E-14,2.7755575615628914E-16,1.5419764230904953E-17,-64.4769177080453,96.83416595463784,5.379675886368769,8.231399794954317,186.20243245552365,92.94380882035443,123.70484421550503,185.9225970645772,10.329033170254288,92.94380882035443,-0.31481481481479534,9.43689570931383E-16,5.2427198385076835E-17,-62.27412193112549,90.98829383364343,5.054905212980191,8.119315546292498,0,11.890000000000002,12.110335656157309,-0.17050180737275245,0.050070460518346994,5.334719289692777,10.943947782876513,17.0,55.0,55.0,55.0,17.0,0.0,0.0,0.0,0.0,0.0,41.54186599999999,3.6712234128934655,3.38856739829462,3.2931016954844035,3.2931016954843946,3.070582467120682,2.8067922742293803,2.5755313058691827,2.575531305869179,2.0075398090543457,1.8428292544491798,1.788607437769149,1.7886074377691483,1.620677237585631,1.4511299977232168,1.3202820951383323,1.3202820951383287,3.693324033105577,3.419579723500992,3.327366954494404,3.3273669544943987,3.108565713075953,2.852087240648142,2.629759571142199,2.629759571142199,1.9569824983981896,1.7773029005029206,1.718100380841111,1.7181003808411106,1.542853848158537,1.362045165661603,1.2206852820188496,1.2206852820188474,3.791330082114093,3.5554642003442933,3.4768696526685043,3.4768696526685,3.274860956512751,3.0495581526095976,2.862981140949594,2.8629811409495933,1.8110798931986918,1.582465254442471,1.5064320677109413,1.5064320677109384,1.3077821257470652,1.0883866223939371,0.9081829248737089,0.9081829248737073,3.709645961320733,3.442406324900242,3.3525575515822816,3.3525575515822768,3.1365333381549108,2.885412987112826,2.669494684705045,2.6694946847050436,1.925048803588578,1.7353824124916115,1.6728124380723286,1.672812438072326,1.4927130858124111,1.304242137877647,1.1555294161292249,1.1555294161292227,3.8396305604864382,3.621245403016697,3.548797435838001,3.5487974358379963,3.3549450198131576,3.1438149153206068,2.9723286878770527,2.9723286878770514,1.7663571155216937,1.5211265799287668,1.439200858477339,1.4392008584773368,1.2329138521975758,0.9999357206206483,0.804893720274487,0.8048937202744864,3.6713866787081137,3.4784288528210796,3.418104286830842,3.418104286830839,3.223730423091884,2.98356801631986,2.788236198488871,2.78823619848887,1.9438450080349554,1.685370544150128,1.5958472211649284,1.5958472211649264,1.3919932433482844,1.1818524103274366,1.0101522016469067,1.0101522016469056,0,0,0,0,0,4,12,2,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3333333333333333,0.0,0.08333333333333333,0.0,0.3333333333333333,0.0,0.08333333333333333,0.0,0.9428090415820635,1.4999999999999996,1.9832491561019434,0.9428090415820635,1.4999999999999996,1.9832491561019434,13.639981912617825,8.794753619934976,6.089073411524036,4.3805400575618805,3.09673554708526,2.4570030804445206,1.6906570452189678,0.9267463220525111,0.7577767729232125,0.5173384482314692,0.3382818561957798,0.219027002878094,0.14076070668569363,0.10237512835185503,0.07684804750995308,0.05792164512828194,13.639981912617825,8.794753619934976,6.089073411524036,4.3805400575618805,3.09673554708526,2.4570030804445206,1.6906570452189678,0.9267463220525111,0.7577767729232125,0.5173384482314692,0.3382818561957798,0.219027002878094,0.14076070668569363,0.10237512835185503,0.07684804750995308,0.05792164512828194,28.294728271931554,53.86890021849971,50.78431372549014,51.44000000000004,33.17253532934137,430.79415209580844,0.5052630048559206,0.9619446467589234,0.9068627450980381,0.9185714285714293,0.5923667023096674,7.692752715996579,6.979600000000008,85.08000000000008,79.34704296418067,103.68778750638822,158.69408592836135,8.816338107131187,79.34704296418067,2.7755575615628914E-16,1.5419764230904953E-17,-64.4769177080453,96.83416595463784,5.379675886368769,8.231399794954317,234,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,12.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.600000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.349100214159737,0.0,17.25645534139582,0.0,0.0,0.0,2.061111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3372750535399343,0.0,1.3719251543209876,0.0,0.0,0.0,1.0305555555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3372750535399347,0.0,1.4946381330309901,0.0,0.0,0.0,1.0305555555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,28.666666666666664,1.5925925925925926,0.2,2.3372750535399347,0.2,1.0305555555555554,13.232394989292013,0.3027777777777779,0.3372750535399346,2.698200428319476,0.3027777777777779,0.3372750535399346,2.698200428319476,9.0,0.5,0.0,0.0,0.42857,0.7,0.42857,0.42857,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.22222,0.11111,0.0,8.5,0.47222,8.5,0.47222,0.0,0.0,-8.5,-0.47222,0.0,0.0,27.21689,1.51205,27.21689,0.0,0.0,8.79474,0.4886,8.79474,0.0,0.0,0.11926,0.00663,0.11926,0.00663,0.0,17.0,0,0,0,0,0,0,1.0,0.9059282160429993,1.2994835734949235,2.4313076001654323,2.9677201004744993,2.763809173883546,2.967720100474499,50.73198009840796,72.77108011571572,136.1532256092642,166.19232562657197,154.7733137374786,166.19232562657194,0.1559967021478377,0.2237651376462631,0.41866006689737423,0.5110278500806709,0.4759153196209851,0.5110278500806708,4.901426706014606,4.507871348562681,3.3760473218921723,2.8396348215831053,3.0435457481740587,2.8396348215831058,0.15669812309441852,0.2247712714458795,0.4205425229773781,0.5133256271067073,0.47805521725590117,0.5133256271067071,6.698383050008051,11.42104733943114,16.295053309395666,15.265352544970565,16.630156718568177,15.265352544970566,71.26744542347804,57.30076465571869,46.79915662946385,50.04783976125539,45.538256942485766,50.04783976125538,18.0,13.432098765432098,9.6,18,0,10,3.44,2.6448,0.6933612743506348,10.042006058401176,1.788854381999832,0.0,18.538216781823234,10.482965576835586,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.121,0.10400000000000001,0.049000000000000044,0.010000000000000009,8.3,18.0,20.0,22.0,24.0,22.0,16.0,10.0,4.0,0.0,171.0,2.8903717578961645,2.9444389791664403,3.044522437723423,3.1354942159291497,3.2188758248682006,3.1354942159291497,2.833213344056216,2.3978952727983707,1.6094379124341003,0.0,5.147494476813453,1.0,0.4444444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,0.7647058823529411,17.0,1.0,2,5.0,9.0,0.8,2.0,1.333333333333334,0.75,0.4800000000000002,0.3333333333333334,0.24489795918367357,0.1875,0.09876543209876541,0.0,0.0,0.11764705882352941,0.07407407407407411,0.0375,0.021818181818181827,0.013888888888888893,0.011131725417439708,0.01171875,0.009876543209876541,0.0,0.0,0.2976552222319905,79.34704296418067,103.68778750638822,158.69408592836135,8.816338107131187,79.34704296418067,2.7755575615628914E-16,1.5419764230904953E-17,-64.4769177080453,96.83416595463784,5.379675886368769,8.231399794954317,0.0,319.88418196640134,5.169925001442312,4.2626798770413155,4.990432586778736,5.752572638825633,6.52649485957079,7.312553498102598,8.103796712981794,8.899321434159964,9.696893794766453,10.49601297178542,101.0407583740127,3.5553480614894135,0.0,4.672828834461906,0.0,5.978885764901122,0.0,7.394493107219038,0.0,8.881141619321468,9.145588494746486,254.29735121599998,4.541024128857143,34.540780821838425,1.9189322678799126,0.0,0.0,0.0,681.0,20.0,10.460000000000004,70.0,1.2397272727272728,2.141383401706404,2.8820708619395066,3.585006162380736,4.4769220310243805,5.289330228711554,6.0338118399966,6.866394112636894,7.658873063552869,8.572618382785214,77.22180975787272,76.21225320678465,82.16642790504771,109.02465226585919,129.096054235637,133.62873272398286,112.83876406176717,94.86636739623938,76.44268472466379,36.33803377932178,287.5990282903022,339.79425266296676,373.92632586556005,494.27972504053594,595.6295349185635,662.3492468492489,636.7633641821643,600.7519077788353,582.567800178083,474.848111923993,9.022993228436372,15.255143316818543,20.24149015918671,25.283482006924828,31.518809661266523,37.19543616409053,42.138437618268796,47.55900606330128,52.83500972621598,58.589154185383386,2.1691573263116353,2.807951492211476,3.193652892003648,4.180010063148356,5.083483196004137,5.791864824884659,5.864507214152961,5.832124425239807,5.960016000233565,5.477802724572453,177.43632193628332,329.86273487719,466.3279180566734,571.9311490508549,718.2628415245475,850.9434757678993,992.0760536226854,1158.9678493188553,1308.2606304395424,1506.026961204631,2.3696282828282826,3.3901870650679107,4.1327714180579935,5.278057440622165,6.541846156212665,7.905127570257441,8.789617520672184,9.53511417776083,10.642988804883641,11.06361514330394,0.44934995454545407,0.591861306573329,0.6784012690133476,0.8858148476648682,1.0791396191521545,1.234178702558103,1.260926628969816,1.2659498813715147,1.304215819722634,1.2205972766445834,652.5119357432533,632.2178094827226,16.030742472320384,187.62265460661826,-181.78730105467827,-11.478446162929213,464.889281136635,814.0051105374009,27.509188635249597,0.7766754794270722,0.7525196757098614,0.019081159919441516,0.22332452057292793,-0.21637878399813715,-0.013662627744144007,548.1978478340598,531.1480503816603,13.467981259987171,157.62828206828664,-152.72579970238087,-9.64343966494559,0.031093874126113086,0.06725762769746903,0.26757761168840477,4.378384701284863,840.1345903498715,0.0,1.0,0.0,1055.386675484549,32.48671536927901,10.181314874118693,1423.4940465924801,37.7292200634002,11.249120053887372,2225.5348918890145,47.1755751622491,13.056039916136864,2.208427119370391,2.208427119370391,3381.6743248808957,2226.6988072289114,1317.394739074913,1.5186940927539867,2.566940814759545,1.6902290112320626,7.286749565295028,6.901696073057126,12.517572780258538,0.8136951624289425,11.286958527391906,16.137723110977124,6.946440656289699,66.09798305654691,33.15263742903774,19.469681265433508,30.47355171945534,63.24654079143904,52.12493202038846,31.429069477144175,26.952989592152694,52.32041494088501,25.797069154715658,36.93424220583099,14.456023580492033,18.938396394311603,10.485121368004906,12.856888896372066,8.620962331291333,7.669814852209003,3.4022521603004128,1.0485032768165643,0.2823763830192396,2.4509729114244765,1.5611086829557146E-10,2.423946210120688E-42,7.259202141614881E-96,4.19305642628047E-171,4.6714147570249984E-268,0.0,0.8942860854465206,16.12418322194922,0.4872952478304179,20.719801407566013,2.5230508956469495,2.5709254645647004,5.1654307090470635,6.885932820074384,11.898578510458881,3.4922469170009913,2.0572129622463367,7.826984805568395,2.9312076903824402,6.342454494996944,0.7122884335175645,2.6458702432631265,0.3157634061074146,0.550281494829056,1.9629578323533299,0.34947205191133185,0.15886161082753264,0.00793701529807379,0.023697580392466215,0.01726240261966175,1.0995016098553814E-12,1.7072051352533226E-44,5.112715423412716E-98,2.953203925674797E-173,3.2901156093287036E-270,0.0,2.921754848085885,16.12511177228691,1.6360890562258772,25.126084328961213,5.090179305807565,4.821032603453581,8.750006588371605,14.652461006148492,17.116389288135995,7.051756886734684,5.411492766614226,13.944673928333088,5.85494464682214,10.46034638882919,2.596799451983971,4.897504897689616,1.3719721406836385,1.8333210361471932,3.0376553211325454,1.321996704952364,0.5865145601587314,0.07747542950469866,0.07649888430734192,0.17988754467925333,1.1457654494890148E-11,1.7790393771417576E-43,5.327843663627192E-97,3.0774661837726336E-172,3.428554134167352E-269,0.0,10.617508832036783,16.136244965208196,6.490997916192571,61.60193996882826,29.97387695046991,18.010882756787765,28.364777026062992,58.47384894507794,48.60339235460034,28.960677953300355,24.817763152637372,48.54786364012059,23.78038380651291,34.30913399868996,13.288865714367411,17.561027882950718,9.501869043528414,11.668707227178892,8.112772871210803,7.037103800981302,3.120773916041256,0.9342602373293276,0.26654005590465923,2.183772737884322,1.3909197310270787E-10,2.1596924335990107E-42,6.467818416824855E-96,3.735937785946478E-171,4.162146446495333E-268,0.0,4.341428629169207,16.126294110663657,2.4750742132747345,29.59281661014585,7.946592149979395,6.7217543997406,11.680241450367973,21.093791134260414,21.58700938038603,10.131547311274348,8.227024960417882,19.02445810403744,8.379730973033459,13.918565063652615,4.163885026117853,6.7620794618353575,2.3997589596158364,3.07900341371185,3.8598288297249073,2.144511891994644,0.9496808017293421,0.1676304549509612,0.11274548878907491,0.39073978480929655,2.4887556610632753E-11,3.864311254184387E-43,1.157278837917987E-96,6.684667782582116E-172,7.447277725538277E-269,0.0,13.803345670653222,16.1439331866343,8.70088660992623,84.69549337787515,46.40234104323647,25.35268087583573,38.91658560447467,82.41908349264509,66.36592240181741,41.42919974494488,35.552658374294914,67.47918922133043,33.964338322574335,47.50801747853137,19.147378279533285,24.469578691923843,14.535200288146957,17.749850828749146,10.616772911439481,10.222018683402965,4.538589062532631,1.5288785668132556,0.3410113970612709,3.5745136450233277,2.2767302986414686E-10,3.53509774118365E-42,1.0586864092310275E-95,6.115178727692002E-171,6.81281939621458E-268,0.0,7.162456743302318,14.880419336597601,3.922729678173307,38.05438361948717,14.858999002467494,10.664711365099775,16.925012620297924,34.79554121563359,30.809688893827353,16.375671262040377,14.608238922331422,30.800749473869512,14.30724187694036,22.26216184968199,7.6124561814429,11.715214008013522,5.072940570517697,6.494747610585924,6.578056421240503,4.1389107887104455,2.0096852429407446,0.41406231668137583,0.22266187193347925,0.9663381570732521,6.154939047456548E-11,9.556824159967449E-43,2.862065095314899E-96,1.6531844968947875E-171,1.8417854828941176E-268,0.0,9.679691826691613,5.756072127333955,0.7794622073395034,0.5969507751766524,0.3549794538819669,0.42202962711229164,0.3860231238915626,0.45105960272318973,16.21522616136507,67.7485989683782,127.393124307098,0.4278953435879289,1.2591123537270439,8.438669775482214,4.861175267171753,0.31926734714844773,0.6196196590462708,0.35693774513614096,0.32171294526664634,0.2771311648283333,0.07595952526490325,13.619112389802414,45.26805904465752,71.98410955315902,0.46483610627361754,0.6748036353598829,8.940006270009254,5.222588144820666,0.5053225833935435,0.6094939227629965,0.35605520166586785,0.3606114273164543,0.3189654511453881,0.19006679564497828,14.667916998223463,53.84664955762958,92.10806319905362,0.4483236866432965,0.8696436741068206,9.649805366169877,5.7345119201244685,0.7683936374303142,0.5974108873573976,0.35501854439193703,0.41945504201075307,0.3831904293826455,0.43839321585890473,16.15271092372466,67.15813541818,125.83138658100177,0.42864414762400177,1.2410386872523034,9.159845225902913,5.3811138633445665,0.5868422930822675,0.605497454283225,0.3557102401959122,0.3783640830823139,0.33823128129874735,0.2561643703971077,15.127801382329746,57.82341990674614,101.87677775528246,0.44181154171870574,0.9727597347781689,9.772991526485434,5.8233815214297735,0.8140121233514498,0.5955369983391494,0.35485952710153773,0.43011737508779524,0.39493303858938034,0.49174325161177107,16.410385171266658,69.6074950057398,132.34482276670784,0.4255947881610308,1.3167936652889467,9.686838377042982,5.755877022966588,0.7702303463526237,0.5974755315033656,0.3550173492844798,0.4226315980629205,0.38593612285368883,0.4403245060010989,16.21294574636219,67.65069847078702,126.8088003045757,0.42873932118176816,1.2488922269177083 +UMLCN0303,L,7-hexylpentadecane,CCCCCCCCC(CCCCCC)CCCCCC,Alkanes,,C21H44,NREL (2014),Unknown,PubChem,,83,0,-3.417399999999999,11.678622759999993,74.6167,66.29889199999994,0,0,65,21,44,0,21,0,0,0,0,0.0,0.0,0.0,0.0,0.0,3074.2533569999964,3417.994292000005,3880.267124000007,3935.1345800000036,3935.1345800000036,3935.134580000004,3935.1345800000045,3935.1345800000045,3693.0025620000065,10261.539691696886,13518.749155289426,18457.444699832267,20135.966899102437,20135.966899102437,20135.966899102437,20135.966899102437,20135.966899102437,19685.712072224,453.9632519999996,463.98612800000046,894.9009440000008,1257.6980000000028,1257.6980000000028,1257.6980000000028,1257.6980000000028,1257.6980000000028,1257.6505680000025,78.12986781335584,104.7739496399999,156.42148032607417,180.43057718792068,180.4305771879207,180.43057718792068,180.43057718792068,180.43057718792068,178.4177286182226,10799.058166956956,9273.279221167599,19593.54989146242,29579.10310077177,29579.10310077177,29579.103100771765,29579.103100771765,29579.103100771765,29568.169275394863,96.02777777777777,116.83333333333334,194.49999999999997,248.49999999999997,248.49999999999997,248.49999999999997,248.33333333333331,249.16666666666663,252.58333333333331,47.296205492307635,53.406160812500076,30.79577082539688,21.861858777777798,21.861858777777798,21.8618587777778,21.8618587777778,21.8618587777778,20.516680900000036,157.8698414107213,211.23045555139728,146.48765634787515,111.86648277279131,111.86648277279131,111.86648277279131,111.86648277279131,111.86648277279131,109.36506706791111,6.984050030769225,7.249783250000007,7.1023884444444505,6.987211111111127,6.987211111111127,6.987211111111127,6.987211111111127,6.987211111111127,6.986947600000014,1.2019979663593208,1.6370929631249984,1.2414403200482078,1.0023920954884482,1.0023920954884484,1.0023920954884482,1.0023920954884482,1.0023920954884482,0.9912096034345701,166.1393564147224,144.89498783074373,155.5043642179557,164.32835055984316,164.32835055984316,164.32835055984313,164.32835055984313,164.32835055984313,164.267607085527,1.4773504273504272,1.8255208333333335,1.5436507936507935,1.3805555555555553,1.3805555555555553,1.3805555555555553,1.3796296296296295,1.384259259259259,1.4032407407407406,0.0911447308455514,-0.006038348882276172,-0.03922616947461004,-3.0411907314302814E-4,-3.3413042386658785E-5,-8.167856862641653E-5,4.5223410957678876E-4,0.0034932632611916125,-0.00943645623103307,1720.9998817846156,-55.4754540648466,-680.0900964747883,2.2923741349121336,2.2923741349121336,2.2923741349121336,2.2923741349121336,2.2923741349121336,-239.83964386508796,3200.27276950525,-103.15897572033043,-1264.6565752820243,4.262767591751889,4.262767591751661,4.262767591751434,4.262767591751434,4.262767591751661,-445.99205928669465,0.3371320615384619,-0.0108672605917358,-0.1332249808284205,4.4906035502743306E-4,4.490603550275163E-4,4.4906035502757184E-4,4.490603550275441E-4,4.490603550275441E-4,-0.046982939644972584,14.30670829539195,-0.46116861904556894,-5.653603308072439,0.019056554506018147,0.019056554506019924,0.019056554506019924,0.0190565545060217,0.0190565545060217,-1.9937920151919781,77.71426652502888,-2.5050752579513405,-30.710462898853237,0.10351550652667085,0.10351550652665664,0.10351550652665664,0.10351550652665664,0.10351550652665664,-10.830309870371334,5.206837606837612,-0.9959631821170336,-1.7932544378698314,-0.0035502958579918392,-0.0035502958579918392,-0.0035502958579918392,-0.1702169625246599,0.6631163708086804,-0.6484220907297924,0.0014022266283930985,-9.434920128556519E-5,-3.113188053540479E-4,-1.6895504063501564E-6,-1.8562801325921547E-7,-4.5376982570231405E-7,2.5124117198710486E-6,1.940701811773118E-5,-5.242475683907261E-5,26.476921258224856,-0.8668039697632282,-5.397540448212606,0.012735411860622964,0.012735411860622964,0.012735411860622964,0.012735411860622964,0.012735411860622964,-1.3324424659171554,49.23496568469615,-1.611858995630163,-10.036956946682732,0.02368204217639938,0.02368204217639812,0.023682042176396856,0.023682042176396856,0.02368204217639812,-2.477733662703859,0.0051866471005917215,-1.6980094674587187E-4,-0.001057341117685877,2.494779750152406E-6,2.4947797501528685E-6,2.494779750153177E-6,2.4947797501530227E-6,2.4947797501530227E-6,-2.610163313609588E-4,0.22010320454449153,-0.007205759672587015,-0.04486986752438444,1.0586974725565637E-4,1.0586974725566624E-4,1.0586974725566624E-4,1.0586974725567612E-4,1.0586974725567612E-4,-0.0110766223066221,1.1956041003850597,-0.039141800905489695,-0.24373383253058126,5.750861473703936E-4,5.750861473703147E-4,5.750861473703147E-4,5.750861473703147E-4,5.750861473703147E-4,-0.06016838816872963,0.08010519395134788,-0.01556192472057865,-0.014232178078331995,-1.972386587773244E-5,-1.972386587773244E-5,-1.972386587773244E-5,-9.45649791803666E-4,0.003683979837826002,-0.0036023449484988467,-0.06728527284757528,-0.2220174678260162,-0.0012049053784453662,-1.3238089300296525E-4,-3.2360662428891255E-4,0.0017917301447556893,0.013840143757625633,-0.03738679310287347,-0.032738095238092006,-0.20385831100116675,4.810004810006679E-4,4.810004810006679E-4,4.810004810006679E-4,4.810004810006679E-4,4.810004810006679E-4,-0.050324675324675154,-0.0327380952380999,-0.20385831100117024,4.810004810008539E-4,4.810004810008282E-4,4.8100048100080254E-4,4.8100048100080254E-4,4.810004810008282E-4,-0.05032467532467521,-0.03273809523815492,-0.20385831100119567,4.8100048099817465E-4,4.810004809982638E-4,4.810004809983233E-4,4.8100048099829353E-4,4.8100048099829353E-4,-0.05032467532467759,-0.03273809523809294,-0.20385831100116705,4.810004810005205E-4,4.810004810005653E-4,4.810004810005653E-4,4.810004810006102E-4,4.810004810006102E-4,-0.050324675324675154,-0.03273809523811735,-0.2038583110011781,4.8100048099967177E-4,4.810004809996058E-4,4.810004809996058E-4,4.810004809996058E-4,4.810004809996058E-4,-0.05032467532467614,-0.19426861047275198,-0.17766860519651134,-2.4622455679605226E-4,-2.4622455679605226E-4,-2.4622455679605226E-4,-0.01180509958415442,0.045989275552637425,-0.04497017947034422,1.5838006278785142,1.4046643741311557,0.9700110816379075,0.9689940867081406,0.9691990387917166,0.9676977306938521,0.962840809160284,1.0433377254193308,1.5476190476190488,1.429258572115716,1.0004810004810012,1.0004810004810012,1.0004810004810012,1.0004810004810012,1.0004810004810012,1.0505050505050513,1.5476190476190503,1.4292585721157172,1.000481000481002,1.000481000481002,1.000481000481002,1.000481000481002,1.000481000481002,1.0505050505050522,1.5476190476190435,1.429258572115714,1.0004810004809999,1.0004810004809999,1.0004810004809999,1.0004810004809999,1.0004810004809999,1.05050505050505,1.5476190476190452,1.4292585721157134,1.0004810004809994,1.0004810004809994,1.0004810004809994,1.0004810004809994,1.0004810004809994,1.0505050505050495,1.547619047619045,1.4292585721157118,1.0004810004809983,1.0004810004809983,1.0004810004809983,1.0004810004809983,1.0004810004809983,1.0505050505050482,1.7711753118844367,1.1950098489822705,0.8365068942875894,0.8365068942875894,0.8365068942875894,0.8478879404683729,0.7909827095644553,1.012913110089734,250.39324657567028,125.19662328783517,175.0563660087037,250.39324657567033,11.923487932174778,125.19662328783517,7.105427357601002E-14,0.13659214056324154,0.0065043876458686445,-4.18058732624603,169.10339809934376,8.052542766635417,10.774071736908233,250.39324657567028,125.19662328783517,175.0563660087037,250.39324657567033,11.923487932174778,125.19662328783517,7.105427357601002E-14,0.13659214056324154,0.0065043876458686445,-4.18058732624603,169.10339809934376,8.052542766635417,10.774071736908233,250.39324657567028,125.19662328783517,175.0563660087037,250.39324657567033,11.923487932174778,125.19662328783517,7.105427357601002E-14,0.13659214056324154,0.0065043876458686445,-4.18058732624603,169.10339809934376,8.052542766635417,10.774071736908233,250.39324657567028,125.19662328783517,175.0563660087037,250.39324657567033,11.923487932174778,125.19662328783517,7.105427357601002E-14,0.13659214056324154,0.0065043876458686445,-4.18058732624603,169.10339809934376,8.052542766635417,10.774071736908233,250.39324657567028,125.19662328783517,175.0563660087037,250.39324657567033,11.923487932174778,125.19662328783517,7.105427357601002E-14,0.13659214056324154,0.0065043876458686445,-4.18058732624603,169.10339809934376,8.052542766635417,10.774071736908233,250.39324657567028,125.19662328783517,175.0563660087037,250.39324657567033,11.923487932174778,125.19662328783517,7.105427357601002E-14,0.13659214056324154,0.0065043876458686445,-4.18058732624603,169.10339809934376,8.052542766635417,10.774071736908233,275.51664723162287,137.6396066845944,193.2921645901032,275.3018261179921,13.109610767523435,137.6396066845944,-0.23743386243407372,0.12190806321116351,0.005805145867198262,-4.419425006996077,152.36339042281466,7.255399543943556,10.555163627551797,0,11.890000000000008,12.110411205543496,-0.1705052356928365,0.0501468417296642,5.13643677123608,10.068590575379027,20.0,64.0,64.0,64.0,20.0,0.0,0.0,0.0,0.0,0.0,48.10110799999999,3.620513995439417,3.467117840101241,3.421506727835278,3.32306105382625,3.1561703172804827,3.0026574708926375,2.8739365206599556,2.665087045588358,1.9878695581446637,1.897475762833223,1.8684747113146145,1.7924156352660345,1.6792361389192296,1.583444796186389,1.4886955660912147,1.3473792864270708,3.6451863886087863,3.496640867456601,3.4522132543406836,3.355168549337175,3.192191975679106,3.043184898903452,2.9169559480061595,2.7133381880561314,1.9337658401290747,1.835466303591273,1.804245371111894,1.7249198185928747,1.6048355632299633,1.5021274139861434,1.403133220337078,1.253790074226601,3.7537244779060006,3.6255896067757787,3.586328950229997,3.4958078029718336,3.3498719930001513,3.2199469884696788,3.104643621197031,2.923422586656777,1.7754170333962018,1.6511566487794929,1.6129087563996733,1.5237347236804275,1.3811129650292067,1.2547948059219722,1.1416112599045025,0.9646354191547437,3.663362629937402,3.518344998506329,3.4747893134738947,3.3788007107807108,3.2187083027846963,3.072992657773196,2.9486079862700296,2.748832442143471,1.8993926787497983,1.7958140841106534,1.7631312886426473,1.681691720603961,1.5569978097972192,1.4495904567601614,1.3477337315994773,1.1929196887768432,3.8066672176062992,3.6878579254003427,3.651051185158208,3.5638282145259743,3.4258989163666143,3.304628607290373,3.194435477237447,3.023394514766579,1.7262073846465398,1.5930545698540057,1.5524969158163626,1.4602812614512664,1.3100848863833554,1.175472410079952,1.0574372804822043,0.8706980749587829,3.654969255660039,3.5499677266475294,3.5198963916282744,3.435369542082499,3.2908049222378772,3.1672339986227835,3.0388715324680593,2.8450080108441522,1.8852248450151468,1.7462203396572946,1.7026582398642203,1.6114607438604873,1.4672404239920251,1.3357297705943514,1.232278295770184,1.065573021201152,0,0,0,0,0,3,17,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.4330127018922194,0.6123724356957946,0.6495190528383291,0.4330127018922194,0.6123724356957946,0.6495190528383291,15.598165549360939,10.346065214951231,7.121138104094891,4.897777478867205,3.365934284052063,2.311261175129397,1.572213031259502,1.1425290268628747,0.7427697880648066,0.5173032607475616,0.35605690520474453,0.24488887394336026,0.16829671420260314,0.11556305875646986,0.0786106515629751,0.05712645134314374,15.598165549360939,10.346065214951231,7.121138104094891,4.897777478867205,3.365934284052063,2.311261175129397,1.572213031259502,1.1425290268628747,0.7427697880648066,0.5173032607475616,0.35605690520474453,0.24488887394336026,0.16829671420260314,0.11556305875646986,0.0786106515629751,0.05712645134314374,32.92021168328918,62.53241077931547,58.9607843137254,59.72000000000007,38.56819880239527,499.87891736526956,0.5064647951275258,0.9620370889125457,0.9070889894419292,0.9187692307692319,0.593356904652235,7.690444882542608,8.294000000000006,99.00100000000009,125.19662328783517,175.0563660087037,250.39324657567033,11.923487932174778,125.19662328783517,0.13659214056324154,0.0065043876458686445,-4.18058732624603,169.10339809934376,8.052542766635417,10.774071736908233,426,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,17.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.200000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.944147732941682,0.0,24.842993575742284,0.0,0.0,0.0,1.0461920246493657,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3081695865859966,0.0,1.3725021258503403,0.0,0.0,0.0,1.0461920246493657,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3179890731778428,0.0,1.5182291666666667,0.0,0.0,0.0,1.0461920246493657,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,32.833333333333336,1.5634920634920637,0.2,2.3179890731778428,0.2,1.0461920246493657,15.418826334614566,0.2871413086839676,0.31798907317784275,1.9846149103278086,0.2871413086839676,0.31798907317784275,1.9846149103278086,10.5,0.5,0.0,0.0,0.42923,0.7,0.42923,0.42923,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.14286,0.04762,0.0,10.0,0.47619,10.0,0.47619,0.0,0.0,-10.0,-0.47619,0.0,0.0,31.26833,1.48897,31.26833,0.0,0.0,10.34606,0.49267,10.34606,0.0,0.0,0.06794,0.00324,0.06794,0.00324,0.0,20.0,0,0,0,0,0,0,1.0,0.9076961653608384,1.1845717049752187,2.1174220910747157,2.910282257416979,3.0157621004806696,2.820539817259139,59.0002507484545,76.99716082338921,137.63243591985653,189.16834673210363,196.0245365312435,183.33508812184405,0.1507208117373999,0.1966953433851354,0.35159295426858567,0.4832455186680954,0.5007601983320478,0.4683439977142115,5.114671647667616,4.837796108053236,3.9049457219537387,3.1120855556114755,3.0066057125477847,3.201827995769315,0.1512826942268064,0.1974286174958698,0.35290368184578597,0.4850470429028298,0.5026270167467782,0.4700899695431899,6.703626317238106,10.026132792610673,14.673748140233885,16.773139381538492,15.47472810510397,16.067898633568838,83.12242776833801,72.6265198022661,60.51547580810678,52.368571155114026,58.37606856730034,56.291475898994356,21.0,18.05,16.2,21,0,15,3.77,3.0674999999999972,0.22558427134487072,7.796267836591871,0.454280148208035,0.0,30.65513171864432,5.862047476674482,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.103,0.084,0.08800000000000005,0.024999999999999994,10.025000000000002,20.0,20.0,20.0,20.0,20.0,20.0,18.0,16.0,13.0,208.0,3.044522437723423,3.044522437723423,3.044522437723423,3.044522437723423,3.044522437723423,3.044522437723423,3.044522437723423,2.9444389791664403,2.833213344056216,2.6390573296152584,5.342334251964811,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.0,0.85,20.0,1.0,2,7.0,14.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407406,0.060000000000000026,0.049586776859504134,0.075,0.03333333333333335,0.01875,0.012000000000000005,0.008333333333333335,0.0061224489795918356,0.0046875,0.004115226337448558,0.0037500000000000016,0.0038143674507310874,0.1825561510678963,125.19662328783517,175.0563660087037,250.39324657567033,11.923487932174778,125.19662328783517,0.13659214056324154,0.0065043876458686445,-4.18058732624603,169.10339809934376,8.052542766635417,10.774071736908233,0.0,371.77213584400226,5.392317422778761,4.394449154672439,5.081404364984463,5.7899601708972535,6.499787040655854,7.223295679562314,7.946263643580541,8.679141958402255,9.41058370340406,10.14968334738049,106.17456906353966,3.713572066704308,0.0,4.795790545596741,0.0,6.023447592961033,0.0,7.327123292259293,0.0,8.679482094459956,8.986446539271268,296.3443014080011,4.559143098584633,40.68912860030825,1.9375775523956311,0.0,0.0,0.0,1252.0,20.0,12.228000000000005,80.0,1.2411249999999998,2.144432864123515,2.874106819330588,3.594246226122547,4.709271798619711,5.623998768622111,6.611085327650929,7.526033997213736,8.378024458415034,9.26506266278998,77.92489748743752,73.9654903342207,74.90828968651437,97.85434152029562,120.0868392800076,141.63397038002967,161.98590694969673,170.00491737847366,170.36076554504777,176.90519656525927,289.36260006533786,336.5000850035487,352.6486715513821,463.45967425038776,578.1342407319426,687.1532649814745,793.5968904445908,872.3445749891945,897.8596361120527,969.5611946921331,9.035137369750009,15.280196183086456,20.139019492553597,25.278380672504845,33.0306311873672,39.4463253932987,46.3323878368814,52.7146616547236,58.438503401602944,64.61100086121529,2.1794122804581253,2.797876448086914,3.0607726275032685,3.9967670900934067,5.041071263432492,6.005733477643233,6.969461906301395,7.774896186151211,8.149281425669338,8.8983561284817,177.51364832964904,329.91780436024385,468.39561190789925,578.4219883945897,764.6670394664312,913.1001435354606,1076.1197817953187,1226.6073507510644,1384.1426238795295,1531.1916467093258,2.3296953124999993,3.3887749433934915,4.064820190752571,5.212619757370538,6.701520575785602,7.996749488792791,9.383064586289638,10.781745152692965,11.671282631419038,13.047969346862063,0.4513598437499995,0.5902589050447086,0.6520625923759391,0.8499337702854965,1.0744053718195972,1.2804379464884001,1.4872228029221386,1.6628118046351865,1.7492388025197279,1.9130812325378945,805.8177302476186,913.5562174645698,20.29356706339705,211.30348915552594,-239.55493785259574,-12.422034066584645,594.5142410920926,1153.1111553171656,32.71560112998169,0.7922533861996109,0.8981783095633896,0.0199519650915409,0.20774661380038917,-0.23552250536388245,-0.01221293374832353,819.6143124061318,929.1974139008875,20.641017677561898,214.92126255400765,-243.65641050267666,-12.634714437271976,0.026355587536118347,0.05748066232453235,0.3381629561869115,3.81783983348723,1017.1212194031444,0.0,1.0,0.0,1241.631382922999,35.236790190410346,10.748080083804734,1667.860970521656,40.8394536021438,11.859142346370753,2404.611519123132,49.03683838832936,13.39722880082184,3.621205414456274,3.621205414456274,8280.107995136575,7108.511378374419,1361.1901247844144,1.1648160288983147,6.0829915265863255,5.222276630533348,9.561158488323466,9.364340826787707,18.68330496712931,0.9951543106679437,12.615993099596112,18.976850654635726,7.197100443610766,85.78217938342178,38.62274296783735,11.586345427259555,24.31678358602779,31.437741819965932,62.52592775764824,17.1760811599659,18.062855955435428,66.88171340043354,34.42525314880944,70.18690499509584,23.063938489214383,15.80587344974589,34.75935943153652,17.25651457327277,49.63435344207193,11.669586086166417,14.185627130497396,19.939057984800215,9.813569211720806,34.3212608661703,10.959533035750233,7.180362392047214,7.106771530271844,10.324430390845981,14.186976354164202,7.486739324673216,1.0322978130799723,18.969556768359727,0.5132063360766299,21.52825798975823,1.4196574862052358,1.3649971006246737,3.521376597066616,3.3741915536844393,16.50368232973281,1.4435878829385946,1.0470415701775921,8.661396030512307,3.899799442066196,15.426504221857115,1.7701164393483295,2.01412907214589,2.47929198978105,0.8173726457018761,8.63983266806416,1.887215783946168,0.6519456264904435,0.5675698921267146,0.4957749519301999,5.899697438038607,0.9726074033523439,1.3558513525344082,0.22099591425375448,0.2653764007978375,2.4532907588657116,0.3259982669981061,3.34982835334022,18.970057038672543,1.7165209638602976,26.60149425089667,4.170513338167816,2.7169903842007144,6.795984598440183,7.1615814015695705,22.662552830325236,3.1819959764730394,3.028118981476527,17.772945904727536,7.697844205857783,23.656984037659434,4.480217447504809,3.6210773790851993,6.560543280431048,2.7152428966172315,14.653676890132532,3.2271838682453895,2.398999053306761,2.2532954901235693,1.5656307497891342,10.085434633144017,2.1362602806091453,2.205784582395692,0.8565095041277816,1.2526946272563264,4.352220525488648,1.2515640626143674,11.890238706861634,18.97605440575385,6.730956999597866,79.00348017444688,34.63187297079725,10.700794770231525,22.700486865670317,29.033057288793056,58.56395425438517,15.69187563974441,16.493264438646747,62.33670344873271,31.695844611184377,65.79186054431524,21.181434051625242,14.534117188198321,31.896020740154842,15.734432897139927,46.291926986502396,10.838354432696203,12.997868914805679,17.95066171924189,8.948769459764415,32.00972850392777,10.03863295307805,6.703872352141547,6.412821708147044,9.331524816708026,13.293121570652367,6.858711548621226,4.95468043326521,18.970693984676597,2.5903661286593738,32.47205474810024,7.496902436392942,3.863150491776336,9.331966236834024,10.337822658643399,27.851037327716046,4.8127018003354,4.831135467466384,24.850939453101105,11.027446725852661,30.182060462052526,6.826504406778017,5.082948703988295,10.106811679752441,4.450895328897133,19.480947141212894,4.342054072006992,3.8998074057688044,4.084030589816665,2.547122313328739,13.438549688915703,3.194844914690193,2.889885392269671,1.521404541849041,2.2469600039488,5.80309812161503,2.0461134053292773,15.321993072279808,18.98019588935988,8.987693873762929,114.1110717251581,55.344488716355734,15.160132297963548,30.690899745412892,41.12085043300352,78.49485408308215,23.26306604186269,24.4737326162454,84.82346862229524,45.50824166130686,87.64362935570269,30.691316094147687,20.999935432582607,46.368335629078,23.47762426664249,62.955403398467105,15.011092304832514,18.99124660893852,28.21235882299045,13.349769678398234,43.528816175296235,14.720634234435707,9.08074802234204,9.985453712445013,14.428878707441081,17.695815969126368,10.02737948957685,8.165397279583956,18.045143280924652,4.228013318784139,47.498366608078754,16.738598213783426,6.278006097493907,14.332251589331884,16.99181437679614,38.786910732172124,8.624308509457455,9.171460102782012,39.20351694829753,19.150421931114803,44.09053260795381,12.630656000334108,8.700152380621217,18.547849339623838,8.781208965772993,30.256208830010344,6.669797037856584,7.266703472915254,9.063863089260039,4.926197210182982,21.266004579913606,5.8621717593886835,4.699437032474371,3.2562624921428087,5.009631942713568,9.942043395924568,3.8364655710684596,25.663627515177886,4.968185126424677,0.7919029999546855,0.8166961478367707,0.1581030449452753,0.46549953934472116,0.3285991703781797,0.49522304425006225,31.42371564155725,151.75907683594477,284.1517336001506,0.7250442217551561,1.2893217539729631,23.66783830373789,4.275740869859995,0.3198120700491716,0.8374026350803838,0.15128194748466642,0.3959035071893559,0.24345964207315351,0.08072443155632644,28.263391243647057,110.1342374366212,170.7618245625771,0.7561039526205757,0.7200875808188358,24.472187539664077,4.554803408168283,0.5101109101455066,0.8285236533134759,0.15420617195515568,0.4232741404107404,0.27623843984263,0.20544364290295258,29.537101857977866,126.27298798217947,212.6701141884001,0.7427854799702138,0.904956223156323,25.61537952651099,4.951444548954476,0.7804935957900601,0.8171474125838671,0.15795432964571607,0.4637505659658631,0.3263904610316289,0.48105460986018556,31.347317671255524,150.69034176048513,281.03010616563876,0.7257211188758007,1.2711956368576776,24.825706075558728,4.677457553083668,0.5937334758517921,0.8248593198616363,0.1554132818690207,0.43559343596079475,0.2913003196471457,0.2783485210134045,30.09689710449419,133.6382022836153,232.68013500570885,0.7372889797924546,1.005242276621345,25.814307423751625,5.020466695208306,0.8275339095772729,0.8153008744809512,0.15856287831838933,0.47098284832457543,0.3355450480902695,0.5407927149237312,31.662308028537204,155.1166918584086,294.02728755214844,0.7229513117214268,1.347320611338576,25.69394513890346,4.966268726079218,0.7827980571013677,0.817159157735054,0.1579450702237324,0.46660033097229914,0.3283276612953713,0.48393917487362037,31.443011922084043,151.60379203675228,282.93421277089857,0.7257387366025809,1.2788671671412908 +UMLCN0304,L,"2,9-dimethyl-5,6-diisopentyldecane",CC(C)CCC(CCC(C)C)C(CCC(C)C)CCC(C)C,Alkanes,,C22H46,NREL (2014),Unknown,UML,,48,0,3.724199999999997,13.869665639999978,98.2912,69.39247799999994,0,0,68,22,46,0,22,0,0,0,0,0.0,0.0,0.0,0.0,0.0,3220.5496059999964,3586.472589000005,4679.3057060000165,4827.820056000023,4982.58266600004,5823.7818560000305,6483.479890000019,5945.043580000033,5079.791832000061,10747.224082308077,14171.739289779793,20496.628878690703,24327.73364256292,25172.922505558094,26968.01404971177,30989.279666172177,32320.871848082108,28968.366204256698,474.94069599999955,485.76190800000063,937.7490320000011,1332.6290880000008,1630.2173840000034,1514.2173440000024,1649.5671760000007,2017.0119520000014,2123.4793920000043,81.80799362305379,109.78993825999989,169.1412918951683,212.5393210563938,226.53257348248525,232.59526376610913,266.69267520852526,292.6904032230897,272.58620778553984,11295.687827095455,9706.318672683397,20545.086653870505,30120.60586453528,38834.37528273946,35157.11777069753,37351.945577302395,46923.15605874491,51374.42989963605,106.66666666666667,128.11111111111111,208.50000000000003,292.1111111111112,318.2777777777778,305.6666666666668,357.5555555555556,431.11111111111103,431.3333333333335,47.36102361764701,53.52944162686575,35.449285651515275,25.544021460317584,21.293088316239487,26.96195303703718,27.7071790170941,20.64251243055567,16.600626901960982,158.0474129751188,211.51849686238498,155.2774915052326,128.71816742096783,107.57659190409441,124.85191689681376,132.43281908620588,112.22524947250731,94.66786341260358,6.984421999999993,7.250177731343293,7.1041593333333415,7.05094755555556,6.966740957264972,7.010265481481492,7.0494323760683795,7.003513722222227,6.939475137254916,1.203058729750791,1.6386557949253715,1.2813734234482448,1.1245466722560518,0.9680879208653216,1.076829924843098,1.13971228721592,1.0162861223023947,0.8908046006063394,166.1130562808155,144.87042795049848,155.64459586265534,159.36828499754117,165.9588687296558,162.76443412359967,159.62369904830084,162.9276252039754,167.8902937896603,1.5686274509803921,1.912106135986733,1.5795454545454548,1.545561434450324,1.360161443494777,1.415123456790124,1.5280151946818616,1.4969135802469133,1.4095860566448806,0.09210845194053684,-0.012430756886341838,-0.005291677781318883,-0.04330586820411668,0.013016618575169179,0.028715156218683667,-0.006326735692001265,-0.041418786399693625,0.020331325050364026,1801.7470751176513,-55.401313807087206,-114.78230611072149,-809.6551172828646,472.74391403632904,501.020577038063,-438.8119184342494,-950.9337039100235,202.96360332352918,3350.425623536673,-103.0211087451298,-213.44259959291287,-1505.5882640991722,879.0874950386263,931.6691573470868,-815.9895002684804,-1768.301828744075,377.4194872363583,0.3529498823529418,-0.010852737024245357,-0.02248506574396633,-0.1586058788927511,0.09260728719723565,0.0981464913494722,-0.08596024221455431,-0.18628138408305295,0.03975917647060489,14.977961415693954,-0.46055228951996857,-0.9541877302720367,-6.730680057238372,3.9299301226716183,4.1649946182678415,-3.647852727956094,-7.905131925976537,1.687240712835105,81.36052412809396,-2.5017273461863354,-5.18316289493235,-36.561160894810314,21.347442799013024,22.62431686984371,-19.815193914016575,-42.94080208574149,9.165118330636284,7.784313725490215,-3.5783352556708934,2.506920415224914,-4.642349096501319,0.13763936947327868,2.3517877739330992,0.8271818531334123,-3.857747020376749,3.2450980392156805,0.001354536057949071,-1.855336848707737E-4,-4.0088468040294563E-5,-2.2913157779955916E-4,5.562657510756059E-5,1.3294053804946141E-4,-2.7037332017099424E-5,-1.4381523055449175E-4,6.644223872667982E-5,26.496280516436048,-0.8268852807027941,-0.8695629250812235,-4.283889509433146,2.020273136907389,2.319539708509551,-1.8752646086933733,-3.3018531385764707,0.663279749423298,49.2709650520099,-1.5376284887332805,-1.6169893908554005,-7.966075471424191,3.7567841668317365,4.3132831358661425,-3.4871346165319674,-6.139936905361371,1.2333970171122821,0.005190439446366791,-1.6198114961560233E-4,-1.703414071512601E-4,-8.391845444060905E-4,3.9575763759502414E-4,4.5438190439570466E-4,-3.6735146245536033E-4,-6.468103613994894E-4,1.2993194925034279E-4,0.22026413846608756,-0.006873914768954755,-0.007228694926303308,-0.03561206379491202,0.016794573173810334,0.01928238249198075,-0.01558911422203459,-0.027448374742974086,0.005513858538676814,1.1964782960013818,-0.03733921412218411,-0.039266385567669315,-0.19344529573973712,0.09122838802997019,0.10474220773075792,-0.08468031587186571,-0.14910000724215794,0.029951367093582627,0.11447520184544434,-0.053407988890610346,0.01899182132746147,-0.024562693632282112,5.8820243364649E-4,0.010887906360801385,0.0035349651843308216,-0.013394954931863712,0.01060489555299242,-0.13697212693746505,-0.029595718626341538,-0.16915871412569974,0.04106688395714312,0.09814470221689722,-0.019960584923842607,-0.10617305439047901,0.04905165745626682,-0.0312075983717739,-0.0328183015930036,-0.16167890080933373,0.07624742407351034,0.08754208754208746,-0.07077463599202605,-0.12461572244180766,0.025032938076416253,-0.031207598371782986,-0.032818301593007644,-0.16167890080933645,0.07624742407351096,0.08754208754208666,-0.07077463599202868,-0.1246157224418097,0.02503293807641725,-0.031207598371846158,-0.03281830159303676,-0.1616789008093532,0.07624742407351405,0.08754208754207958,-0.07077463599204484,-0.12461572244181451,0.025032938076426783,-0.031207598371775263,-0.032818301593004244,-0.16167890080933417,0.07624742407351104,0.08754208754208763,-0.07077463599202614,-0.1246157224418087,0.025032938076416565,-0.031207598371797787,-0.03281830159301441,-0.1616789008093413,0.07624742407351184,0.08754208754208521,-0.070774635992033,-0.12461572244180996,0.025032938076419597,-0.4665463613920308,0.16590336615525494,-0.21456781238477118,0.005138251989637336,0.09511148428024965,0.030879746244985542,-0.11701184812015929,0.09263923873495623,1.6545297495353462,1.1437288149455753,1.2845804218477088,0.850167674197704,0.8559240075342347,1.1104722708907926,1.173984509521942,0.8891182084884603,1.5454545454545432,1.2619175949215455,1.2862789384528497,0.8850038850038837,0.9587542087542072,1.1928313232661043,1.1567577953447485,0.882740447957838,1.5454545454545416,1.2619175949215442,1.2862789384528481,0.8850038850038826,0.9587542087542061,1.1928313232661025,1.1567577953447488,0.8827404479578369,1.5454545454545408,1.2619175949215455,1.2862789384528481,0.8850038850038835,0.9587542087542072,1.1928313232661019,1.1567577953447472,0.8827404479578366,1.5454545454545427,1.2619175949215455,1.2862789384528515,0.8850038850038845,0.9587542087542082,1.1928313232661063,1.1567577953447528,0.8827404479578393,1.5454545454545427,1.2619175949215446,1.2862789384528504,0.8850038850038829,0.9587542087542066,1.192831323266106,1.1567577953447534,0.8827404479578392,2.0839630562552425,0.6846519349667944,1.2700589518389658,0.6702548314638977,0.5844295176788864,0.8929919553345227,1.1622177908386953,0.881332213825915,216.87090358381687,108.43545179190845,140.87108800431676,216.8709035838169,9.857768344718947,108.43545179190845,1.4210854715202004E-14,2.220446049250313E-16,1.0092936587501423E-17,-79.29603745605775,130.66608995799297,5.939367725363317,10.719819302556816,216.87090358381687,108.43545179190845,140.87108800431676,216.8709035838169,9.857768344718947,108.43545179190845,1.4210854715202004E-14,2.220446049250313E-16,1.0092936587501423E-17,-79.29603745605775,130.66608995799297,5.939367725363317,10.719819302556816,216.87090358381687,108.43545179190845,140.87108800431676,216.8709035838169,9.857768344718947,108.43545179190845,1.4210854715202004E-14,2.220446049250313E-16,1.0092936587501423E-17,-79.29603745605775,130.66608995799297,5.939367725363317,10.719819302556816,216.87090358381687,108.43545179190845,140.87108800431676,216.8709035838169,9.857768344718947,108.43545179190845,1.4210854715202004E-14,2.220446049250313E-16,1.0092936587501423E-17,-79.29603745605775,130.66608995799297,5.939367725363317,10.719819302556816,216.87090358381687,108.43545179190845,140.87108800431676,216.8709035838169,9.857768344718947,108.43545179190845,1.4210854715202004E-14,2.220446049250313E-16,1.0092936587501423E-17,-79.29603745605775,130.66608995799297,5.939367725363317,10.719819302556816,216.87090358381687,108.43545179190845,140.87108800431676,216.8709035838169,9.857768344718947,108.43545179190845,1.4210854715202004E-14,2.220446049250313E-16,1.0092936587501423E-17,-79.29603745605775,130.66608995799297,5.939367725363317,10.719819302556816,274.6959240956021,137.0297802296192,180.71713913880814,274.1174116989079,12.459882349950359,137.0297802296192,-0.6363636363637113,6.661338147750939E-16,3.027880976250427E-17,-76.87909042098791,124.46599730378026,5.657545331990011,10.612871642068242,0,11.889999999999999,12.110437457482972,-0.16471865306344557,0.05633000979409867,5.985329021344108,11.415512536654264,21.0,67.0,67.0,67.0,21.0,0.0,0.0,0.0,0.0,0.0,50.28752199999999,3.690391676305739,3.473841385502327,3.4141514179632617,3.4141514179632524,3.2197914247309547,2.906167450655301,2.63562661043988,2.635626610439874,2.0195334809785814,1.8873895532828557,1.84945571210264,1.8494557121026376,1.6948940416993759,1.4946041334087312,1.3383051683349545,1.338305168334953,3.712043692365309,3.5015742405244006,3.4433686133305277,3.443368613330521,3.2512930896730388,2.946351731218485,2.685713071228758,2.6857130712287574,1.9700491072492123,1.8266782834555815,1.785761682726472,1.7857616827264657,1.6251928669825502,1.4111993760260044,1.2426646083459485,1.2426646083459456,3.807983651158211,3.6238641616566047,3.5722882065226895,3.572288206522685,3.3914019191189593,3.1236480171748817,2.903156547410757,2.903156547410756,1.8273071487507462,1.6483300979243674,1.5980779486110825,1.5980779486110779,1.4195847910849264,1.1589210818778655,0.945676396337046,0.9456763963370457,3.7280293852010438,3.522025970879991,3.464922761178477,3.4649227611784656,3.274602241972047,2.9760296485656506,2.7225263915466678,2.7225263915466646,1.9388025135369311,1.7880318548412086,1.74515669291251,1.7451566929125069,1.5807030568680307,1.3574001460900282,1.1803369868265547,1.1803369868265536,3.855238683959575,3.6835727505270652,3.6352156702985337,3.6352156702985323,3.4602231485077066,3.2095061289703737,3.006216650998751,3.0062166509987485,1.783546228182878,1.5928334811017508,1.5395728005093248,1.53957280050932,1.3557097025777667,1.078766460598261,0.8486917828168323,0.8486917828168302,3.673691250790995,3.5390741962714247,3.502371325223548,3.5023713252235456,3.314555781923591,3.0178406118991865,2.7850385601961185,2.785038560196112,1.9789081930116748,1.7627217279764986,1.6990651840749642,1.6990651840749633,1.5198885584214932,1.28071152175072,1.081700683170025,1.081700683170021,0,0,0,0,0,8,8,6,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9663264951887858,0.0,0.08333333333333333,0.0,1.9663264951887858,0.0,0.08333333333333333,0.0,2.0975095799613146,2.1054988603092415,2.8775428943086503,2.0975095799613146,2.1054988603092415,2.8775428943086503,17.12095586463014,10.218121810561247,9.404947787999602,5.125897657686229,3.4211222097609912,2.9236071211200483,2.236453998894989,1.2658116494903622,0.7782252665740973,0.4865772290743451,0.36172876107690777,0.21357906907025956,0.1315816234523458,0.09136272253500151,0.06577805879102909,0.04520755891037008,17.12095586463014,10.218121810561247,9.404947787999602,5.125897657686229,3.4211222097609912,2.9236071211200483,2.236453998894989,1.2658116494903622,0.7782252665740973,0.4865772290743451,0.36172876107690777,0.21357906907025956,0.1315816234523458,0.09136272253500151,0.06577805879102909,0.04520755891037008,34.462039487075074,65.42024763292072,61.68627450980382,62.480000000000075,40.36675329341324,522.9071724550898,0.5067946983393393,0.9620624651900106,0.9071510957324092,0.9188235294117658,0.5936287249031359,7.689811359633674,7.963600000000009,103.2680000000001,108.43545179190845,140.87108800431676,216.8709035838169,9.857768344718947,108.43545179190845,2.220446049250313E-16,1.0092936587501423E-17,-79.29603745605775,130.66608995799297,5.939367725363317,10.719819302556816,302,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,22.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,8.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.400000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.08528890568573,0.0,11.531201814058957,0.0,0.0,0.0,5.383509280255311,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.385661113210716,0.0,1.4192649281934997,0.0,0.0,0.0,0.8587013941379018,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3856611132107166,0.0,1.4635355253212396,0.0,0.0,0.0,0.9743518518518517,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,36.0,1.6363636363636365,0.2,2.3856611132107166,0.2,0.8587013941379018,16.090875525741158,0.4746319391954315,0.3856611132107165,6.170577811371462,0.4746319391954315,0.3856611132107165,6.170577811371462,11.0,0.5,0.0,0.0,0.42941,0.7,0.42941,0.42941,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.36364,0.27273,0.0,10.5,0.47727,10.5,0.47727,0.0,0.0,-10.5,-0.47727,0.0,0.0,38.66777,1.75763,38.66777,0.0,0.0,10.21808,0.46446,10.21808,0.0,0.0,0.69592,0.03163,0.69592,0.03163,0.0,21.0,0,0,0,0,0,0,1.0,0.9081783472997051,1.4169683562069642,2.447038208579241,2.6457113704075788,2.8810054880546376,2.8810054880546376,61.75612761637995,96.35384822207357,166.3985981833884,179.90837318771537,195.90837318771537,195.90837318771537,0.14918831884206935,0.23276829660547457,0.40197998285877495,0.4346164304247581,0.4732686774746523,0.4732686774746523,5.179284493950635,4.670494485043376,3.640424632671099,3.4417514708427612,3.2064573531957024,3.2064573531957024,0.1497139786088721,0.23358844746890936,0.40339634511614847,0.4361477860512503,0.4749362229270528,0.4749362229270528,6.705039124153289,12.810519231040391,14.739302514173755,16.232727354909763,16.469862656556824,16.469862656556824,87.07377858143167,63.54302659858298,64.8762896881507,58.389030556472626,56.342041678824934,56.34204167882494,22.0,12.42603550295858,13.194444444444445,22,0,10,3.88,3.2084,3.9888398662333775,13.135862331730232,10.532300358797253,0.0,9.428904717731152,16.278620242697393,0.0,3.624070320776508,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.193,0.184,-0.10699999999999998,-0.04999999999999993,9.384000000000002,26.0,24.0,26.0,32.0,34.0,28.0,24.0,16.0,0.0,253.0,3.091042453358316,3.295836866004329,3.2188758248682006,3.295836866004329,3.4965075614664802,3.5553480614894135,3.367295829986474,3.2188758248682006,2.833213344056216,0.0,5.537334267018537,1.0,0.4444444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,0.6190476190476191,21.0,1.0,2,5.0,9.0,0.8,6.0,2.2222222222222223,0.75,0.8000000000000005,0.9999999999999992,0.6530612244897964,0.5,0.39506172839506165,0.0,0.0,0.2857142857142857,0.08547008547008547,0.03125,0.03076923076923079,0.031249999999999976,0.019207683073229308,0.017857142857142856,0.016460905349794237,0.0,0.0,0.5179793332337684,108.43545179190845,140.87108800431676,216.8709035838169,9.857768344718947,108.43545179190845,2.220446049250313E-16,1.0092936587501423E-17,-79.29603745605775,130.66608995799297,5.939367725363317,10.719819302556816,0.0,389.0681204698692,5.459431618637297,4.553876891600541,5.272999558563747,6.075346031088684,6.836259277277067,7.645397699428633,8.427487278331744,9.240578555036793,10.034296492647542,10.849162314098441,111.93540409807318,3.7612001156935624,0.0,4.990432586778736,0.0,6.3473892096560105,0.0,7.771067086065406,0.0,9.24212969446559,9.508442961755847,310.3599514720013,4.564116933411784,41.87753140846445,1.9035241549302022,0.0,0.0,0.0,1145.0,24.0,12.492000000000006,94.0,1.241507462686567,2.1439604465128075,2.9118955408461575,3.5290494724246653,4.3463373356711505,5.288673558694253,5.966045078281525,6.6132553840190855,7.398524345454748,8.0736395392695,78.11728467711947,85.78749145737906,82.99075532852868,89.2519740229939,136.83484213509954,160.94984611331935,134.8165239833133,121.00306069640963,121.77498829277697,50.8440175667573,289.8451694565168,360.2229718307059,398.05525241800734,419.9403754376562,602.402125093732,743.3125494390582,705.5735088577612,662.9806053455358,722.9970368446922,572.5717767164801,9.038460393492548,15.290380764537638,20.578862068267302,24.677318488130712,30.619052383640497,37.386455251312725,41.875923251846274,45.99584932129711,51.4962276199302,55.777102644676,2.1822183624385083,2.9119889206548826,3.412307653550469,3.662392896025979,5.056036074322872,6.294834631004241,6.29142813974271,6.131297231533713,6.806481891951479,6.16142598255765,177.53480729300784,329.46598509599403,460.74679618088305,579.1079294457695,696.4209100272648,836.5927198951323,965.2093103632675,1102.5809507535323,1229.5199083429172,1370.7186298400998,2.4225854063018235,3.501619455255681,4.580962302383769,4.934150269270566,6.391394343678485,8.269699665610045,9.09414660672406,9.513531848249302,11.359942501031517,11.918251459857633,0.45190981343283526,0.6116228309454992,0.7242586634332221,0.7811752042765439,1.0705040331296591,1.3336108038929826,1.3449366822770767,1.320572865158271,1.4692032927115741,1.3557592890941224,698.7027725289839,810.4438742419171,17.01094683532007,167.52696632407896,-194.31897076385155,-9.867629293451147,531.175806204905,1004.7628450057687,26.878576128771215,0.8066021532048828,0.9355992271923042,0.019637915985017466,0.1933978467951171,-0.2243272910730828,-0.01139146908823108,605.2371201836928,702.0305855396404,14.735388034802641,145.1168402897528,-168.3248712989671,-8.547633945965021,0.025973132727350242,0.0539284753864709,0.22351119050211093,3.013752597094297,866.2297388530629,0.0,1.0,0.0,1303.7129520691485,36.10696542315829,10.924309439933415,1749.3166118313814,41.82483247822257,12.049142485493915,2984.6394265524923,54.631853588840386,14.39783825984405,1.8073823185161277,1.8073823185161277,4595.978724809302,2869.8748563759054,2004.9515055891172,1.6014561452387266,2.292314159218958,1.431393651355496,7.766843143649321,6.901696073057126,12.517575517152906,0.8136955589828241,13.5181629548804,19.931831368514658,9.89936750849258,81.53953556121944,33.98508553626221,35.83704364673238,43.040429387161055,68.66431888781118,65.6230154329959,50.14873444973496,42.908470664603385,70.01506736468065,49.42105680398154,53.44312982017179,32.02310116721707,27.58986654359642,20.78205589127987,20.785634112927276,17.176684749454317,11.18718322660787,7.4000308057586865,3.0923635088768373,0.3429804242301991,2.4509729110032463,1.5611087351103171E-10,2.423946555292178E-42,7.259204510284638E-96,4.193058879652744E-171,4.671419049188976E-268,0.0,1.081535611961093,19.918084306243927,0.5800825578444669,29.673123266995255,4.659531609006385,3.086239923736045,6.622246346682984,8.358027690598881,14.678831132313224,6.0149752541483155,4.314249686492849,10.963720103592681,5.598960315744623,8.515574377542286,2.145512009995504,3.698363645975487,3.361516521169123,1.4489854034132836,3.4209531670177893,0.5953876476261626,0.3274353250381968,0.02233209009675325,0.0241244196470821,0.01726240261669499,1.0995016465882946E-12,1.7072053783604255E-44,5.112717091686193E-98,2.9532056536049502E-173,3.2901186323348884E-270,0.0,3.5262191454614427,19.919027015286236,2.0377723960658494,36.20272976917529,7.399906345181528,7.050078843136946,11.639177436249714,16.989494214232373,20.776019951586377,12.17931120578628,9.76914952780766,18.707571089659204,11.424000655451968,14.23787614604284,5.812268262572089,6.877117336201328,5.274877444909946,3.5845599831725847,5.099287803510816,2.1483094319067897,1.2406874068925848,0.22748320703824645,0.08094687814425212,0.17988754464833742,1.1457654877675426E-11,1.7790396304781025E-43,5.32784540209678E-97,3.077467984409077E-172,3.428557284372871E-269,0.0,12.723583805107065,19.93033058836708,9.171571688844153,76.92892522286316,31.041611779987207,32.869357702393366,39.955951782117,63.671138517664716,60.98248351817857,46.44067637710472,39.688581751377605,64.87532599856098,45.634552539211214,49.472777951462476,29.333692087755576,25.526545670697374,19.134505808786624,18.961028156837553,15.934987817039087,10.323285401570441,6.779408166822412,2.7553029074170077,0.320537165561713,2.1837727375090137,1.3909197774958909E-10,2.1596927411405943E-42,6.467820527266963E-96,3.735939971857005E-171,4.162150270736163E-268,0.0,5.232297787147433,19.920227425481105,3.1704342624877255,41.889836075876964,10.244772334332287,10.579139805544049,15.800740252044807,24.006898656134037,26.23878458507131,17.25546767745929,14.233207143133042,25.303147270968612,16.349096012011678,19.18994938784261,9.051461937941115,9.56340682532366,7.076044621171683,5.588421291535977,6.586784868832459,3.3951928346802,2.0250976541851586,0.4934673926212518,0.12240712568206319,0.3907397847421431,2.4887557442093525E-11,3.8643118044647806E-43,1.157279215536812E-96,6.684671693805086E-172,7.447284568205616E-269,0.0,16.49784814647869,19.938136548134096,12.772642786209207,100.24032309841022,46.1871210930003,47.918128392681375,55.43163007887333,88.62931546810351,84.53266677732017,65.0204928086694,55.80353167549773,90.7763533751656,64.69399950639772,69.52868225644374,42.957606308557665,35.91146497230411,27.541961735246385,28.26894324439491,22.227823701366976,14.630464490934523,9.910972094075737,4.509656629853785,0.42939669538345954,3.5745136444090035,2.2767303747040556E-10,3.5350982445838293E-42,1.0586867546792504E-95,6.115182305704893E-171,6.812825655932358E-268,0.0,8.589798130796593,17.04686011178501,4.811912520250699,52.71393027667156,16.335174044121665,17.768094992000265,22.905330736950468,36.75116502627448,36.261351204076554,26.85029000249706,23.57376631356127,39.12190314018994,27.3576923943298,29.30678885531744,16.349433850346173,15.991196936719035,11.85130742026071,10.766795095085559,10.880055841972577,6.181900543134706,4.078704835233677,1.15550058144938,0.23354222704662442,0.915332476022817,5.830066572479889E-11,9.05239299970227E-43,2.7109992152606205E-96,1.5659263099937716E-171,1.7445731634316853E-268,0.0,9.909470821053354,6.968210224239742,0.9496733979863112,0.5558576205225475,0.3908718058201078,0.4608108274673308,0.46529088149276493,0.4586552478729526,17.827354443279404,85.07956060048203,168.4830748554732,0.4200941395139827,1.3847569568330484,8.798129795129965,6.010760051947265,0.4495017474429952,0.5766092540376048,0.39393143207216685,0.3652915195288919,0.3487762125134046,0.10290614609218492,15.258391594520223,59.54006896836621,98.5696624471298,0.4558110291646573,0.8169738781344815,9.245666498494298,6.396437307085746,0.650987022169156,0.567459335754009,0.3925858742646792,0.4024520973925925,0.393764024356537,0.21571647023345555,16.2930908277492,69.32213269669714,124.11415732829272,0.4400678150280324,1.011932591982585,9.882569211224478,6.945044472001425,0.9375722944445793,0.5562885310430261,0.3909356468730938,0.45837055201426674,0.46228110731439365,0.44705859262577696,17.76518597767048,84.41198704059515,166.52733744172392,0.42083626687417985,1.3677102519544375,9.442516928284777,6.566029632837278,0.7395818644500913,0.5637953500444456,0.3920455746453336,0.4193547218072716,0.41437860928777265,0.2783538566523295,16.748128425572144,73.83947667249622,136.441566768551,0.4337613870346687,1.112087187747374,9.993496430045012,7.040563867508907,0.9874686223756011,0.554530998698644,0.39067516961465676,0.4684737765212735,0.4747519992243382,0.4958275307197136,18.02152891992952,87.18044993094264,174.680122877941,0.41780925246995115,1.4390533064653253,9.91415692365824,6.970332487550434,0.9406709700162896,0.5561889324766306,0.3910389774047815,0.46117769035793205,0.465471128486692,0.44995515169198264,17.82516038122496,84.98771912431954,167.8179187546018,0.42084186482211805,1.3766039705366067 +UMLCN0305,L,9-heptylheptadecane,CCCCCCCCC(CCCCCCC)CCCCCCCC,Alkanes,,C24H50,NREL (2014),Unknown,PubChem,,88,0,-4.2814,18.330385959999997,83.3515,75.57964999999993,0,0,74,24,50,0,24,0,0,0,0,0.0,0.0,0.0,0.0,0.0,3513.1421039999964,3923.4291830000066,4461.392735000016,4525.40476700004,4525.40476700004,4525.404767000039,4525.404767000037,4525.4047670000355,4525.404767000037,11718.59286353046,15477.719558760531,21198.08603481927,23156.3619339678,23156.3619339678,23156.361933967804,23156.361933967804,23156.361933967804,23156.361933967808,516.8955839999994,529.3134680000005,1023.0894680000004,1446.3527000000029,1446.3527000000026,1446.3527000000026,1446.3527000000029,1446.3527000000026,1446.3527000000026,89.16424524244972,119.82191549999986,179.48455076062135,207.49516376610893,207.49516376610896,207.49516376610896,207.49516376610893,207.49516376610896,207.49516376610896,12288.947147372452,10572.397575714995,22366.156488359942,34015.96856588752,34015.96856588752,34015.96856588752,34015.96856588752,34015.96856588752,34015.96856588752,108.77777777777777,132.58333333333334,222.24999999999997,285.25,285.25,285.25,285.25,285.16666666666663,285.41666666666663,47.47489329729725,53.74560524657543,30.981893993055664,21.86185877777797,21.86185877777797,21.861858777777968,21.861858777777957,21.86185877777795,21.861858777777957,158.3593630206819,212.02355559945934,147.20893079735603,111.86648277279131,111.86648277279131,111.86648277279133,111.86648277279133,111.86648277279133,111.86648277279134,6.985075459459452,7.250869424657541,7.1047879722222245,6.987211111111125,6.987211111111124,6.987211111111124,6.987211111111125,6.987211111111124,6.987211111111124,1.2049222330060774,1.6413961027397241,1.2464204913932038,1.0023920954884489,1.002392095488449,1.002392095488449,1.0023920954884489,1.002392095488449,1.002392095488449,166.06685334287096,144.82736405089034,155.32053116916626,164.32835055984307,164.32835055984307,164.32835055984307,164.32835055984307,164.32835055984307,164.32835055984307,1.46996996996997,1.8162100456621006,1.5434027777777777,1.3780193236714975,1.3780193236714975,1.3780193236714975,1.3780193236714975,1.3776167471819645,1.3788244766505635,0.10368879567389697,-0.006038341692000165,-0.045498011944956056,-3.011955628970293E-4,-8.680094898303901E-6,-1.617868552681082E-5,-6.64309008955317E-5,1.525187611188675E-4,0.002232078263079094,1963.2325783783747,-55.27118745433995,-800.2383604390009,2.0339796983204828,2.0339796983204828,2.03397969832071,2.0339796983209375,2.03397969832071,2.03397969832071,3650.714812527936,-102.77913323560965,-1488.0774026381005,3.7822721030669655,3.7822721030674202,3.7822721030674202,3.7822721030674202,3.7822721030674202,3.7822721030674202,0.3845837837837834,-0.010827246165115646,-0.1567612008765807,3.9844265887283275E-4,3.9844265887277724E-4,3.984426588727217E-4,3.984426588726662E-4,3.9844265887263846E-4,3.9844265887263846E-4,16.32039380836217,-0.45947054640655977,-6.65239835909316,0.0169085161077846,0.0169085161077846,0.016908516107782823,0.016908516107781046,0.01690851610777927,0.01690851610777927,88.65263819106495,-2.4958513004259455,-36.13593346806211,0.09184732785562821,0.09184732785562111,0.091847327855614,0.0918473278556069,0.09184732785559979,0.09184732785559269,5.708708708708724,-0.9896721045369744,-2.048027757487226,-0.0027392257122026975,-0.0027392257122022534,-0.0027392257122022534,-0.0027392257122022534,-0.08607255904553632,0.1639274409544646,0.0014011999415391482,-8.27170094794543E-5,-3.1595841628441707E-4,-1.4550510284880643E-6,-4.193282559567102E-8,-7.815790109570444E-8,-3.209222265484623E-7,7.368056092698914E-7,1.0782986778159873E-5,26.530169978086143,-0.7571395541690404,-5.557210836381951,0.009825988880775278,0.009825988880775278,0.009825988880776378,0.009825988880777476,0.009825988880776378,0.009825988880776378,49.333983953080214,-1.4079333319946528,-10.333870851653476,0.018271845908536064,0.01827184590853826,0.01827184590853826,0.01827184590853826,0.01827184590853826,0.01827184590853826,0.005197078159240316,-1.4831844061802255E-4,-0.0010886194505318103,1.9248437626706895E-6,1.9248437626704214E-6,1.9248437626701533E-6,1.9248437626698852E-6,1.924843762669751E-6,1.924843762669751E-6,0.22054586227516446,-0.006294117074062463,-0.04619721082703584,8.168365269461158E-5,8.168365269461158E-5,8.1683652694603E-5,8.168365269459443E-5,8.168365269458585E-5,8.168365269458585E-5,1.1980086242035803,-0.034189743841451306,-0.25094398241709803,4.437068978532764E-4,4.4370689785324204E-4,4.437068978532077E-4,4.437068978531734E-4,4.437068978531391E-4,4.437068978531048E-4,0.07714471227984762,-0.013557152116944854,-0.014222414982550181,-1.3232974455085496E-5,-1.323297445508335E-5,-1.323297445508335E-5,-1.323297445508335E-5,-4.1580946398809816E-4,7.919200046109401E-4,-0.05903298096672328,-0.22549131420698784,-0.0010384321218924427,-2.992636835940052E-5,-5.5779263742940135E-5,-2.2903385664999762E-4,5.258390237017475E-4,0.00769553755926888,-0.028538812785384938,-0.2094675925925915,3.703703703704696E-4,3.703703703704696E-4,3.703703703705111E-4,3.7037037037055244E-4,3.703703703705111E-4,3.703703703705111E-4,-0.02853881278539531,-0.209467592592596,3.703703703701238E-4,3.7037037037016837E-4,3.7037037037016837E-4,3.7037037037016837E-4,3.7037037037016837E-4,3.7037037037016837E-4,-0.028538812785471563,-0.2094675925926308,3.703703703682713E-4,3.7037037036821973E-4,3.703703703681681E-4,3.703703703681165E-4,3.703703703680907E-4,3.703703703680907E-4,-0.02853881278538609,-0.209467592592591,3.7037037037085206E-4,3.7037037037085206E-4,3.7037037037081314E-4,3.7037037037077427E-4,3.7037037037073535E-4,3.7037037037073535E-4,-0.028538812785408936,-0.20946759259260103,3.703703703704526E-4,3.703703703704239E-4,3.703703703703953E-4,3.703703703703666E-4,3.70370370370338E-4,3.703703703703093E-4,-0.17573663464795067,-0.1843602051551818,-1.7153443267870378E-4,-1.7153443267867597E-4,-1.7153443267867597E-4,-1.7153443267867597E-4,-0.005389993062385422,0.010265382826734736,1.5736625262840354,1.416305752769385,0.9736913153702046,0.972730333106762,0.9727554147990267,0.9729339614443092,0.9724577674264819,0.9689422853624383,1.5416666666666707,1.4380324074074113,1.000370370370373,1.000370370370373,1.000370370370373,1.000370370370373,1.000370370370373,1.000370370370373,1.541666666666665,1.4380324074074058,1.0003703703703692,1.0003703703703692,1.0003703703703692,1.0003703703703692,1.0003703703703692,1.0003703703703692,1.5416666666666667,1.4380324074074091,1.0003703703703717,1.0003703703703717,1.0003703703703717,1.0003703703703717,1.0003703703703717,1.0003703703703717,1.5416666666666643,1.4380324074074071,1.0003703703703701,1.0003703703703701,1.0003703703703701,1.0003703703703701,1.0003703703703701,1.0003703703703701,1.5416666666666627,1.4380324074074031,1.0003703703703672,1.0003703703703672,1.0003703703703672,1.0003703703703672,1.0003703703703672,1.0003703703703672,1.7468437664387113,1.2210267622304016,0.8494099215515837,0.8494099215515837,0.8494099215515837,0.8494099215515837,0.8545578604700781,0.8391140437145947,324.4054062459451,162.20270312297242,220.93329891171638,324.40540624594473,13.516891926914369,162.20270312297242,-1.9895196601282805E-13,1.6653345369377348E-16,6.938893903907228E-18,-87.19520510776547,9000072.888328314,375003.03701367974,38.43058376153003,324.4054062459451,162.20270312297242,220.93329891171638,324.40540624594473,13.516891926914369,162.20270312297242,-1.9895196601282805E-13,1.6653345369377348E-16,6.938893903907228E-18,-87.19520510776547,9000072.888328314,375003.03701367974,38.43058376153003,324.4054062459451,162.20270312297242,220.93329891171638,324.40540624594473,13.516891926914369,162.20270312297242,-1.9895196601282805E-13,1.6653345369377348E-16,6.938893903907228E-18,-87.19520510776547,9000072.888328314,375003.03701367974,38.43058376153003,324.4054062459451,162.20270312297242,220.93329891171638,324.40540624594473,13.516891926914369,162.20270312297242,-1.9895196601282805E-13,1.6653345369377348E-16,6.938893903907228E-18,-87.19520510776547,9000072.888328314,375003.03701367974,38.43058376153003,324.4054062459451,162.20270312297242,220.93329891171638,324.40540624594473,13.516891926914369,162.20270312297242,-1.9895196601282805E-13,1.6653345369377348E-16,6.938893903907228E-18,-87.19520510776547,9000072.888328314,375003.03701367974,38.43058376153003,324.4054062459451,162.20270312297242,220.93329891171638,324.40540624594473,13.516891926914369,162.20270312297242,-1.9895196601282805E-13,1.6653345369377348E-16,6.938893903907228E-18,-87.19520510776547,9000072.888328314,375003.03701367974,38.43058376153003,353.32853449513937,176.54389687719927,241.4124548135332,353.10785548279364,14.712827311783068,176.54389687719927,-0.24074074074079022,9.43689570931383E-16,3.932039878880763E-17,-83.032162574834,9000070.880664542,375002.9533610226,38.4305832261573,0,11.890000000000002,12.110491665894921,-0.17050525312800702,0.050235713337028746,5.127105624451425,10.117712826745333,23.0,73.0,73.0,73.0,23.0,0.0,0.0,0.0,0.0,0.0,54.66034999999999,3.6229918728591004,3.4784764850454106,3.4650183934875107,3.3816480024405977,3.208543892408335,3.1584526019726233,2.9953878124700584,2.805089376900488,1.9901532756580533,1.9057273028776596,1.896513761662503,1.8306364045545453,1.716844043480398,1.6827310560681135,1.5636814922392408,1.4430279432730615,3.6476692994123,3.5078052115263407,3.4946305532799844,3.412299960724002,3.2435598857708374,3.1946162053454468,3.034692217990521,2.8499141325553725,1.9361126875677546,1.8441811604973315,1.834366573019937,1.765822892282097,1.6444358517593742,1.6082527162688105,1.4835337069419137,1.3547006004220823,3.7561977354208342,3.635856438920467,3.6239536209976686,3.5465663719499254,3.3967095073594185,3.3528052489968347,3.206778728210469,3.045285145318942,1.7778822146093987,1.6612384265801379,1.6495913101353694,1.5732444271586374,1.4270447019619623,1.3841264815635073,1.2408277572929394,1.0837055785743541,3.6658475307859817,3.5293634417235706,3.516399518820137,3.4348581286523725,3.269326042085344,3.22123077935411,3.0636366863767774,2.8828884909350907,1.9017738195828684,1.8048255263639006,1.794621111814045,1.7243729622897954,1.5979153267994446,1.5603515302004334,1.4318378426781302,1.2974209920518742,3.809117234278378,3.6976712519727233,3.6863915989374014,3.611563010721391,3.4705361724381194,3.429016474371694,3.289586085658934,3.1385609627935183,1.728687964440173,1.6035540552706384,1.591326821365061,1.512640223073529,1.358075921036166,1.312906397131299,1.1633811704028223,0.9961897027031462,3.6610412958590386,3.562832730521633,3.553494043858433,3.48321336320418,3.3390235417473093,3.2979012965160566,3.1469914394231546,2.9757431358305246,1.8834609975086483,1.7526824422264384,1.7398086154320695,1.6614034722525808,1.5108407925515643,1.4660799120168786,1.3260970759578783,1.176551045364624,0,0,0,0,0,3,20,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.4330127018922194,0.6123724356957946,0.6495190528383291,0.4330127018922194,0.6123724356957946,0.6495190528383291,17.71948589292058,11.846065214951231,8.181798275874712,5.647777478867205,3.896264369941974,2.686261175129397,1.8508148009732956,1.2695662051049978,0.7383119122050242,0.5150463136935318,0.35573035982063966,0.2455555425594437,0.1694027986931293,0.11679396413606075,0.08047020873796938,0.055198530656739034,17.71948589292058,11.846065214951231,8.181798275874712,5.647777478867205,3.896264369941974,2.686261175129397,1.8508148009732956,1.2695662051049978,0.7383119122050242,0.5150463136935318,0.35573035982063966,0.2455555425594437,0.1694027986931293,0.11679396413606075,0.08047020873796938,0.055198530656739034,37.54569509464685,71.19592134013124,67.13725490196067,68.00000000000006,43.96386227544917,568.9636826347303,0.5073742580357683,0.9621070451369086,0.9072602013778469,0.9189189189189196,0.5941062469655294,7.688698413982841,9.4643,112.8520000000001,162.20270312297242,220.93329891171638,324.40540624594473,13.516891926914369,162.20270312297242,1.6653345369377348E-16,6.938893903907228E-18,-87.19520510776547,9000072.888328314,375003.03701367974,38.43058376153003,545,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,20.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.800000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.948467736095439,0.0,29.339516695331454,0.0,0.0,0.0,1.0453489019064413,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.314567156030441,0.0,1.3734288194444444,0.0,0.0,0.0,1.0453489019064413,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3193334240345562,0.0,1.5226813271604938,0.0,0.0,0.0,1.0453489019064413,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,37.333333333333336,1.5555555555555556,0.2,2.3193334240345562,0.2,1.0453489019064413,17.58765839245323,0.2879844314268919,0.3193334240345562,2.0305859509008792,0.2879844314268919,0.3193334240345562,2.0305859509008792,12.0,0.5,0.0,0.0,0.42973,0.7,0.42973,0.42973,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.125,0.04167,0.0,11.5,0.47917,11.5,0.47917,0.0,0.0,-11.5,-0.47917,0.0,0.0,37.24742,1.55198,37.24742,0.0,0.0,11.84606,0.49359,11.84606,0.0,0.0,0.06794,0.00283,0.06794,0.00283,0.0,23.0,0,0,0,0,0,0,1.0,0.9090221560878149,1.1636931103769639,2.0341279571995963,2.8152052190356867,3.061277989022249,2.858818162374448,67.2676395504983,86.11329016789533,150.52546883277012,208.32518620864082,226.53457118764643,211.55254401570915,0.14639326564871313,0.18740669135520502,0.3275856725906115,0.4533740819471533,0.4930028150251152,0.46039771845277083,5.300431209541136,5.045760255251987,4.175325408429355,3.3942481465932643,3.148175376606702,3.350635203254503,0.14685749934280734,0.18800098440714477,0.32862449296424806,0.45481179510927333,0.49456619648944533,0.4618577045569318,6.7074934957589765,9.763544947228766,14.15023861037895,16.50427048081753,16.355505559678146,14.830545427013355,94.97612660482295,84.20314616640768,71.40194181081115,61.23638417067654,62.34138476288897,70.63461821377153,24.0,21.043478260869566,19.21361058601134,24,0,17,4.1,3.4901999999999953,0.19574338205844322,8.022687326699328,0.3920684689310327,0.0,38.00976271409824,6.136494046318542,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.103,0.084,0.08800000000000005,0.024999999999999994,11.522000000000002,23.0,23.0,23.0,23.0,23.0,23.0,23.0,22.0,19.0,249.0,3.1780538303479458,3.1780538303479458,3.1780538303479458,3.1780538303479458,3.1780538303479458,3.1780538303479458,3.1780538303479458,3.1780538303479458,3.1354942159291497,2.995732273553991,5.521460917862246,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.0,0.8695652173913043,23.0,1.0,2,8.0,16.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407406,0.060000000000000026,0.049586776859504134,0.06521739130434782,0.028985507246376826,0.016304347826086956,0.010434782608695656,0.007246376811594205,0.005323868677905944,0.004076086956521739,0.0032206119162640893,0.0027272727272727284,0.0026098303610265334,0.1603051132159159,162.20270312297242,220.93329891171638,324.40540624594473,13.516891926914369,162.20270312297242,1.6653345369377348E-16,6.938893903907228E-18,-87.19520510776547,9000072.888328314,375003.03701367974,38.43058376153003,0.0,423.6600897216032,5.584962500721157,4.532599493153256,5.220355825078324,5.926926025970411,6.634633357861686,7.354362330421477,8.073714641109857,8.802522498284421,9.530029703062944,10.265523102716957,113.34066697765932,3.8501476017100584,0.0,4.9344739331306915,0.0,6.159095388491933,0.0,7.456454555176209,0.0,8.800415333145924,9.110188490025742,338.3912516000014,4.57285475135137,46.690776503014675,1.9454490209589448,0.0,0.0,0.0,1852.0,23.0,13.935000000000008,92.0,1.2421780821917803,2.1464958206087035,2.8745838996029045,3.5983284758493332,4.742183406323655,5.6710410438879215,6.701672693880974,7.6424266809092485,8.565548964046021,9.461836379610997,78.45462111930142,74.41764163249205,75.22797857076453,98.5532466418582,121.39459298345366,143.59970670197333,164.83901010212915,185.397384015182,199.47705888514594,196.41958494101576,290.6913185259811,338.261244541438,353.3306574478634,466.02690972973824,583.2735761420387,695.576418939602,806.0453703503337,911.3585960588032,1003.0176697108722,1041.8825056926632,9.044287065260285,15.299561954618007,20.142750740932772,25.313176670271552,33.262997989384516,39.784133173372126,46.96987036056182,53.54368069541613,59.99088938410043,66.12758008865242,2.187138615773974,2.8104055139094504,3.0643115989339016,4.014865976339358,5.082280236702864,6.073652892164025,7.073852494633415,8.017609364651806,8.889826283247631,9.423557545570507,177.57190794108905,329.8788686544737,468.4605427413976,578.6197932702235,769.91552005118,920.1463960878124,1090.6906927363907,1245.2368879534513,1396.7904598246528,1552.9307445855718,2.3205171232876705,3.3902809991965928,4.058398484785972,5.215437154672979,6.736072636922622,8.062874931733631,9.460911573702246,10.77313819612119,12.159777080230441,13.406353333908879,0.45287414383561586,0.5928041412340953,0.6527398206654322,0.8536113760441045,1.0830655517819079,1.2946824945082156,1.5093274435812536,1.711445605494383,1.899800458548313,2.020713573609299,891.960986207214,1152.4966725449956,22.562569399773928,208.9762889475324,-270.016829633938,-12.28196726474065,682.9846972596815,1422.5135021789335,34.84453666451458,0.8101832923059501,1.0468322751475576,0.02049396446914068,0.18981670769405004,-0.24526086610700398,-0.011155919180785585,981.9930976993103,1268.8265462965994,24.839973675476966,230.06978612584723,-297.27159266311105,-13.521675573983362,0.023124765633051027,0.05043434690521511,0.28750075602790637,3.3498267209155754,1100.9372751547462,0.0,1.0,0.0,1427.8760903614486,37.787247721439684,11.260651220454463,1912.2278944508323,43.72902805289448,12.412136691661729,2789.332273796448,52.814129490094295,14.076675004514373,3.859039283841819,3.859039283841819,11621.193452731595,9674.176423831677,2157.635613725579,1.2012592021894053,5.386077880252142,4.483693336488511,10.761780777962851,10.582349022805118,21.159791535562274,0.9995363496292374,14.28939642021248,21.82240257776561,8.086097962991388,100.70081267576279,44.54729191388512,11.586392348961628,26.69972280996063,31.85182423838267,75.62533587466989,16.860794200562687,18.575921195178363,83.42683466884328,37.2700001479244,87.25179617075881,29.56959153600249,23.044221796335183,52.56919147081218,30.049677326189304,74.54942421137764,22.81698101404887,20.64059262801176,26.963845439723254,12.247200114465583,50.257466523655985,14.206434597560015,7.2696448795588635,10.960923877196755,11.207426082219586,29.488418011428,11.38315469654792,1.1727349579659008,21.814982375429597,0.5795571324003496,24.56843578743489,1.4618565186079322,1.3650436383493139,3.8890537984380003,3.377109036472836,19.740582546904704,1.441367373108842,1.051657988620986,9.760337328489433,4.251033493134157,18.79934074319746,3.5717191388379232,3.2089576775266804,6.542104359407081,3.6392882238649165,13.841498651284601,3.4724364996770403,1.3998060792128866,1.2762263027423588,0.5746225806426106,8.039394660804511,1.1016030803705408,2.2100030787491454,0.23972017663944162,0.5937217353768716,4.17183921706828,1.436018834234046,3.8031765763718854,21.815491322667928,1.9361499341789221,30.445109113168673,4.606554241297615,2.7170369475834533,7.5749742600484264,7.191975447391702,27.146831327168833,3.1588559081527565,3.0663726014265635,21.473667653225736,8.757544935092104,29.077366295137644,6.479918602243677,5.885214258115383,12.467500068010493,7.01544366464281,22.95178564107003,6.296706559297729,3.720056439151801,3.460367543341363,1.9027836157486202,14.223667737375365,2.647204812273943,3.019478916755579,1.1171440547786196,1.777450041901367,7.84055425683146,2.721487791838026,13.469794936664345,21.821592544059254,7.564412977019141,92.62139291344442,39.91086438423709,10.700841649776224,24.96003710246415,29.40199800267189,70.78868270087496,15.410960691661854,16.95038675210299,77.74125470591032,34.458512612760984,81.75416589774518,27.129503300121925,21.344360646173005,48.52397629124477,27.720094043831097,69.67204432893236,21.234959162783216,18.894109795295243,24.309006682117513,11.159579948966288,46.812072940851955,13.00463117559877,6.8808993500752615,9.840790260340784,10.209996533582247,27.40828043825442,10.51065828250858,5.622832301748873,21.816139304494722,2.9195631425515463,37.34857446193162,8.44288018500416,3.8631970884261793,10.39332251251251,10.403839963978278,33.4189748268483,4.7624382780230805,4.913308377685972,30.501339124594924,12.514255643545457,37.22990589040362,9.18847676324196,8.129917136916982,17.5653283828332,9.931294865817604,30.180055807164134,8.569326327658857,5.79004782009519,5.8680665265196765,3.127615794727941,19.191484994146023,4.043546396425048,3.641462556263643,2.1087317804399137,2.8818427255091477,10.804077964341674,3.825114058062023,17.3428699291489,21.825805722906615,10.088217882772886,134.4968880304232,63.983347186601094,15.160179396931682,33.53071111992807,41.724747247106926,95.14039847387156,22.80324937526848,25.22210609720158,105.81297645071419,48.57676094918663,109.09106961546838,39.567567439476655,29.889359994443637,68.9405023830913,39.48435905551508,93.926263387153,29.126125524347025,27.752607426849487,38.022344627000145,16.697719378603974,63.991619933977205,19.109813749054812,8.798690763423417,15.634872298249624,15.29520758329245,37.792318330949385,14.912845949336782,9.286269515321207,20.87560946836893,4.80016259174864,55.6894556087516,19.35951496313591,6.342274236091208,16.01272914270269,17.336771311289592,47.01269643184939,8.566418855206743,9.273885719258955,48.98394982137829,20.570855239391943,54.293170829995255,15.850255160699716,13.199557795608355,29.823431455996545,17.874727947379746,46.504607742334294,14.344270764159385,11.048527702442316,12.679796816169016,6.196693374241676,30.462486818266466,7.513626007894519,5.408796855233882,4.952415374242697,5.603660786869008,18.070266059882258,7.188753543076098,30.40104943663718,6.878945841210262,0.7825920892881353,0.798712109174333,0.1807272263143561,0.43435754928087617,0.28997838556770983,0.4839383775180657,38.06258736713558,238.30220198372538,440.02606027544573,0.6980681637614995,1.2082743123666517,28.27802287129578,6.06782616636285,0.31112505433838944,0.8159403298231317,0.17508239900736258,0.37579501039755053,0.22555311700923783,0.07655719126581143,34.65697409199702,182.27198125959532,270.31369847285777,0.7239104947346977,0.6779053186725997,29.13213516872671,6.394144950483305,0.5008034403930282,0.8086176367990109,0.17748161435007254,0.39884553741074524,0.2504985741778125,0.1982848926449546,36.02708355960304,204.06677829397782,333.3810702820632,0.7129264551985164,0.8476290042335124,30.349576488871868,6.859280007866811,0.7711616233902907,0.7990932598525261,0.18060233636991008,0.4328875492143986,0.2883206157855762,0.46991516034036823,37.98001812012897,236.87028543786482,435.38783325961884,0.6986398897787891,1.191123325340343,29.508171753325993,6.5378127992630475,0.5843110504363747,0.8055673935344605,0.1784810275656926,0.40921144732102566,0.26189664952915115,0.26988135266064306,36.63029560302542,213.98097006968365,363.3359125171636,0.7083510903016907,0.9409894495108199,30.561848708642568,6.940381109532029,0.8183002852131844,0.7975319920206612,0.1811139118067277,0.4389658187745262,0.2951878492495064,0.5290722598281008,38.32053010338778,242.79896280618138,454.68988442359097,0.6962979880309917,1.2632259278521334,30.43561779675437,6.8806569120162315,0.7734223844438857,0.7990511902016764,0.18064351877563212,0.43534747871403184,0.29012570144598726,0.47271935033906964,38.08969709321449,238.2782861285426,438.3358127081425,0.6985767853025147,1.1981925304990888 +UMLCN0306,L,methylcyclopentane,CC1CCCC1,Naphthenes,,C6H12,NREL (2014),IQT,PubChem,,17.2,0,0.0686,0.0047059599999999995,23.2621,18.561515999999997,0,0,18,6,12,0,6,0,0,0,0,0.0,0.0,0.0,0.0,0.0,877.7774940000002,1010.8697819999998,1283.3172309999986,646.8319219999998,149.52067200000002,12.192768000000001,0.0,0.0,0.0,2914.106343667144,3917.9408069422025,5706.410083413224,4650.250206060854,2017.7110077712323,373.00493317116315,0.0,0.0,0.0,125.86466399999996,130.65467999999998,256.4007640000002,342.025544,259.2933120000002,80.62156799999998,0.0,0.0,0.0,22.068754858187983,30.09593172000001,47.13256515394304,45.20468587213107,23.58460443577198,5.335354858188001,0.0,0.0,0.0,2979.7779608309884,2598.236709094801,5550.6801064835445,8054.455436601933,6708.919733807973,2219.011824290988,0.0,0.0,0.0,26.77777777777778,32.75,56.08333333333333,68.33333333333333,45.0,12.0,0.0,0.0,0.0,48.76541633333334,56.15943233333332,35.647700861111076,13.200651469387752,3.93475452631579,1.016064,0.0,0.0,0.0,161.89479687039687,217.6633781634557,158.5113912059229,94.90306542981335,53.097658099242956,31.083744430930263,0.0,0.0,0.0,6.992481333333331,7.258593333333333,7.12224344444445,6.980113142857143,6.82350821052632,6.718463999999998,0.0,0.0,0.0,1.2260419365659991,1.6719962066666672,1.3092379209428622,0.922544609635328,0.6206474851518942,0.4446129048490001,0.0,0.0,0.0,165.54322004616603,144.34648383860005,154.1855585134318,164.37664156330476,176.55051931073612,184.917652024249,0.0,0.0,0.0,1.4876543209876543,1.8194444444444444,1.5578703703703702,1.3945578231292517,1.1842105263157894,1.0,0.0,0.0,0.0,0.024452519172942087,-0.0014072673916084046,-0.005881809767476088,-0.01738955128546404,0.005112837957461146,0.007339530900616349,0.0,0.0,0.0,484.2640359999999,4.902744876744691E-13,-121.06600899999958,-390.10158455555506,107.6142302222215,161.421345333333,0.0,0.0,0.0,900.509653756891,2.984279490192421E-13,-225.12741343922238,-725.4105544152735,200.11325639041962,300.16988458563,0.0,0.0,0.0,0.0948639999999999,1.35828848168984E-15,-0.023715999999998613,-0.07641822222222219,0.021080888888887133,0.031621333333332384,0.0,0.0,0.0,4.025697139396,2.942091015256665E-15,-1.0064242848489966,-3.2429226956245496,0.8945993643102175,1.3418990464653309,0.0,0.0,0.0,21.867650753795992,6.52811138479592E-14,-5.466912688448932,-17.615607551668965,4.859477945287907,7.289216917931946,0.0,0.0,0.0,1.493827160493828,-0.43518518518518484,-0.015432098765431612,-0.7146776406035649,0.0068587105624147715,0.41152263374485565,0.0,0.0,0.0,0.0013584732873856715,-7.818152175602248E-5,-1.6338360465211355E-4,-3.548888017441641E-4,1.3454836730160912E-4,6.116275750513624E-4,0.0,0.0,0.0,26.90355755555555,2.7237471537470508E-14,-3.362944694444433,-7.961256827664389,2.8319534269005655,13.451778777777749,0.0,0.0,0.0,50.028314097605055,1.6579330501069005E-14,-6.253539262200622,-14.804297028883132,5.2661383260636745,25.0141570488025,0.0,0.0,0.0,0.005270222222222217,7.546047120499111E-17,-6.587777777777393E-4,-0.001559555555555555,5.547602339180824E-4,0.002635111111111032,0.0,0.0,0.0,0.22364984107755553,1.634495008475925E-16,-0.02795623013469435,-0.06618209582907245,0.023542088534479408,0.11182492053877757,0.0,0.0,0.0,1.2148694863219995,3.6267285471088444E-15,-0.1518586857902481,-0.3595021949320197,0.12788099856020807,0.6074347431609955,0.0,0.0,0.0,0.08299039780521267,-0.024176954732510268,-4.286694101508781E-4,-0.014585257971501325,1.8049238322144135E-4,0.034293552812071304,0.0,0.0,0.0,-0.057551018840038985,-0.12027001647307978,-0.26124091289798834,0.09904380789153548,0.4502315803562216,0.0,0.0,0.0,1.0124115177416752E-15,-0.12499999999999958,-0.29591836734693844,0.10526315789473614,0.499999999999999,0.0,0.0,0.0,3.3139894478000584E-16,-0.1249999999999998,-0.2959183673469389,0.10526315789473653,0.49999999999999944,0.0,0.0,0.0,1.4318271227123475E-14,-0.12499999999999283,-0.29591836734693894,0.10526315789472818,0.4999999999999855,0.0,0.0,0.0,7.308277084396084E-16,-0.1249999999999996,-0.29591836734693827,0.1052631578947363,0.4999999999999991,0.0,0.0,0.0,2.9852824422224273E-15,-0.12499999999999849,-0.29591836734693827,0.10526315789473487,0.4999999999999965,0.0,0.0,0.0,-0.29132231404958636,-0.005165289256198182,-0.17574633159048694,0.0021748586341889366,0.4132231404958672,0.0,0.0,0.0,1.4730907912132944,1.2374011757811767,1.2025330577322226,0.6044721118390074,0.003655279273092001,0.0,0.0,0.0,1.4166666666666674,1.298611111111112,1.2142857142857155,0.5592105263157898,0.0,0.0,0.0,0.0,1.416666666666666,1.29861111111111,1.214285714285713,0.5592105263157893,0.0,0.0,0.0,0.0,1.416666666666666,1.2986111111111103,1.2142857142857135,0.5592105263157893,0.0,0.0,0.0,0.0,1.4166666666666672,1.2986111111111116,1.2142857142857149,0.5592105263157897,0.0,0.0,0.0,0.0,1.4166666666666656,1.2986111111111107,1.2142857142857135,0.5592105263157889,0.0,0.0,0.0,0.0,1.773760330578511,0.9220041322314044,1.1547900151796247,0.8235645933014349,0.0,0.0,0.0,0.0,17.643740059501134,8.821870029750563,12.988302897090314,17.643740059501127,2.940623343250188,8.822274636871272,-7.105427357601002E-15,0.053128175458597854,0.008854695909766308,-1.7610287281113595,43.830782490388344,7.305130415064724,2.268201820272443,17.643740059501134,8.821870029750563,12.988302897090314,17.643740059501127,2.940623343250188,8.822274636871272,-7.105427357601002E-15,0.053128175458597854,0.008854695909766308,-1.7610287281113595,43.830782490388344,7.305130415064724,2.268201820272443,17.643740059501134,8.821870029750563,12.988302897090314,17.643740059501127,2.940623343250188,8.822274636871272,-7.105427357601002E-15,0.053128175458597854,0.008854695909766308,-1.7610287281113595,43.830782490388344,7.305130415064724,2.268201820272443,17.643740059501134,8.821870029750563,12.988302897090314,17.643740059501127,2.940623343250188,8.822274636871272,-7.105427357601002E-15,0.053128175458597854,0.008854695909766308,-1.7610287281113595,43.830782490388344,7.305130415064724,2.268201820272443,17.643740059501134,8.821870029750563,12.988302897090314,17.643740059501127,2.940623343250188,8.822274636871272,-7.105427357601002E-15,0.053128175458597854,0.008854695909766308,-1.7610287281113595,43.830782490388344,7.305130415064724,2.268201820272443,17.643740059501134,8.821870029750563,12.988302897090314,17.643740059501127,2.940623343250188,8.822274636871272,-7.105427357601002E-15,0.053128175458597854,0.008854695909766308,-1.7610287281113595,43.830782490388344,7.305130415064724,2.268201820272443,19.319462840798444,9.613435124102924,14.179992473578327,19.257734445736713,3.2096224076227857,9.613610387204563,-0.09259259259259522,0.030784955229149643,0.00513082587152494,-2.0884375049563952,42.46516056076743,7.077526760127905,2.2492103929434073,0,11.900000000000006,12.10008240422211,-0.1513866814367923,0.04870941921771496,5.658995553766252,7.448506274769765,6.0,18.0,18.0,18.0,6.0,0.0,0.0,0.0,0.0,0.0,13.118483999999997,3.627101148638274,2.7814181569307914,2.459820994687674,1.9958572749989105,1.1900601602723233,0.9391295454912585,0.08392307051869176,0.0839230705186916,1.8034834231733081,1.7241710785035242,1.2268921716347703,0.75786393541909,0.6212001261827019,0.3562381229936884,0.08392307051869086,0.08392307051869104,3.652027278561878,2.827185890883608,2.510897621120326,2.0692994184052367,1.3088559198117942,1.065160976512025,0.2709139018929375,0.2709139018929374,1.7415749404769885,1.655976006668751,1.1176153649466718,0.6219497304774959,0.47607979332668154,0.19474785804065886,0.27091390189293696,0.2709139018929372,3.761432788576264,3.0283736086853237,2.7348014887900645,2.377097535900608,1.778468089172857,1.560463306872206,0.9439184268026233,0.9439184268026225,1.5609048059381339,1.4525836511201309,0.7670271529750057,0.17284907323754745,0.010166861897251177,0.3660715641919841,0.9439184268026207,0.9439184268026216,3.670376731962931,2.8609602765713404,2.548571848552046,2.1226815677594755,1.3935289897419556,1.1548242966382096,0.3992772455089826,0.3992772455089824,1.702261214662667,1.6122857329828693,1.0455239172558997,0.531260614293167,0.37876724764294684,0.08518151133451124,0.3992772455089815,0.3992772455089817,3.8146596536477384,3.1251344186371575,2.841861734879931,2.516843434795675,1.978039144454595,1.7694752879858582,1.2076448229620884,1.2076448229620882,1.5051429305051978,1.3884283102424038,0.6482843661447949,0.01618292316794736,0.18265930894676644,0.5752344844851514,1.2076448229620875,1.2076448229620877,3.683113856064131,3.004731084221969,2.6027721282304808,2.2466934595991472,1.5502846171191988,1.3067776667178548,0.6428571428571433,0.6428571428571433,1.648721687827791,1.56117574872624,0.8402573809638368,0.3775952823377305,0.21243759121263409,0.10295773625830408,0.6428571428571423,0.6428571428571425,0,0,0,0,0,1,4,1,0,0.0,0.0,0.14433756729740646,0.14433756729740646,0.0,0.0,0.0,0.14433756729740646,0.14433756729740646,0.0,0.2886751345948129,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.0,0.4082482904638631,0.4330127018922194,0.0,4.405777393935816,2.893846850117352,2.3896287658987125,1.643846850117352,1.1299361269508954,0.2886751345948129,0.0,0.0,0.734296232322636,0.482307808352892,0.3413755379855304,0.23483526430247886,0.16141944670727076,0.14433756729740646,0.0,0.0,4.405777393935816,2.893846850117352,2.3896287658987125,1.643846850117352,1.1299361269508954,0.2886751345948129,0.0,0.0,0.734296232322636,0.482307808352892,0.3413755379855304,0.23483526430247886,0.16141944670727076,0.14433756729740646,0.0,0.0,9.250966822715249,17.32702112163146,16.352941176470594,16.560000000000006,10.79132694610778,138.16953053892217,0.5139426012619582,0.9626122845350812,0.9084967320261441,0.9200000000000004,0.5995181636726544,7.676085029940121,2.1965000000000003,27.631999999999984,18.09925825304857,25.291618651911577,36.19851650609714,6.033086084349524,18.099258274357467,0.06483357154617181,0.010805595257695302,-1.6415590382186902,30.976184639674084,5.16269743994568,2.0599312030858092,29,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,4.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3402777777777777,0.0,5.9467592592592595,0.0,0.0,0.0,1.0462962962962963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3402777777777777,0.0,1.4861111111111112,0.0,0.0,0.0,1.0462962962962963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3402777777777777,0.0,1.4872685185185186,0.0,0.0,0.0,1.0462962962962963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.333333333333332,1.5555555555555554,0.2,2.3402777777777777,0.2,1.0462962962962963,4.322013888888889,0.2870370370370371,0.3402777777777778,0.6805555555555556,0.2870370370370371,0.3402777777777778,0.6805555555555556,3.0,0.5,0.0,0.0,0.43333,0.7,0.43333,0.43333,0.7,-0.0,0.0,0.0,0.0,0.71429,0.0,0.0,0.16667,0.16667,0.0,3.0,0.5,3.0,0.5,0.0,0.0,-3.0,-0.5,0.0,0.0,5.2306,0.87177,5.2306,0.0,0.0,2.89384,0.48231,2.89384,0.0,0.0,0.02016,0.00336,0.10616,0.01769,0.2777777777777778,6.0,0,0,0,0,0,0,1.0,0.9182958340544896,1.3355055565170972,2.3502090290998976,2.6835423624332306,2.2810361125534238,2.1699250014423126,16.529325012980813,24.03910001730775,42.303762523798156,48.30376252379815,41.058650025961626,39.058650025961626,0.22021878900384667,0.3202708816238102,0.5636094242191398,0.6435469130751836,0.5470208964824185,0.5203750668637372,3.2516291673878226,2.834419444925215,1.8197159723424146,1.4863826390090815,1.8888888888888884,1.9999999999999996,0.22021878900384667,0.3202708816238102,0.5636094242191398,0.6435469130751836,0.5470208964824185,0.5203750668637372,6.732876570223358,11.73939323977465,15.204742347945365,14.319331251056475,11.470969828446716,15.02304759200227,23.69925001442313,19.032583347756457,16.9169604270433,18.061488203218513,21.585966680128248,17.321638900106873,4.166666666666667,1.6326530612244898,0.9795918367346939,0,0,0,2.12,0.8454000000000006,0.0,1.6329931618554518,1.0,0.0,4.242640687119286,2.8284271247461903,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.089,0.084,0.23800000000000002,0.23299999999999998,2.896,7.0,7.0,7.0,2.0,0.0,0.0,0.0,0.0,0.0,35.0,1.9459101490553132,2.0794415416798357,2.0794415416798357,2.0794415416798357,1.0986122886681098,0.0,0.0,0.0,0.0,0.0,3.58351893845611,1.0,0.3333333333333333,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.16666666666666666,0,2.0,3.0,0.5,1.0,0.44444444444444464,0.2222222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.16666666666666666,0.06349206349206352,0.1111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3412698412698413,8.821870029750563,12.988302897090314,17.643740059501127,2.940623343250188,8.822274636871272,0.053128175458597854,0.008854695909766308,-1.7610287281113595,43.830782490388344,7.305130415064724,2.268201820272443,0.0,99.97590775520011,3.584962500721156,3.295836866004329,4.007333185232471,4.762173934797756,5.493061443340548,6.251903883165888,6.98933526597456,7.747164966520335,8.487764380725425,9.243871855184976,68.27844578094629,2.5649493574615367,0.0,3.713572066704308,2.3978952727983707,5.017279836814924,4.442651256490317,6.385194398997726,6.22455842927536,7.7886260656250315,8.24564690087386,84.093900384,4.671883354666666,11.57549816824563,1.929249694707605,0.0,0.0,0.0,26.0,2.0,3.3529999999999998,26.0,1.3586932003886525,2.428984679279461,3.2718621564296915,3.9916257484362148,5.1894207753634545,0.0,0.0,0.0,0.0,0.0,97.95016177674577,98.62149701937359,49.38424621975264,17.81665478832583,5.272783630698893,0.0,0.0,0.0,0.0,0.0,346.3145629054054,419.9486791899578,329.9106066045122,227.8648601163838,161.30662912595758,0.0,0.0,0.0,0.0,0.0,9.93146788862184,17.381223175748584,22.888838084830056,27.312851494385864,34.864936660131455,0.0,0.0,0.0,0.0,0.0,2.546145544583912,3.3949887461738566,3.14206421786342,2.604688044428695,2.307283445418095,0.0,0.0,0.0,0.0,0.0,191.81014765133233,368.62732744998675,534.057766855387,698.6730895043642,959.6155051460674,0.0,0.0,0.0,0.0,0.0,2.567627535662149,3.9118296432074726,4.653612384206844,4.864094394469072,5.1894207753634545,0.0,0.0,0.0,0.0,0.0,0.5249699252186172,0.7126886384638794,0.6782964084469542,0.5794661970815572,0.5313966873972178,0.0,0.0,0.0,0.0,0.0,278.56083180360207,86.71527130055746,7.192341102568471,52.1733127710995,-16.24141822919496,-2.8117469983328696,226.38751903250255,102.95668952975242,10.00408810090134,0.8422499955721525,0.26219025982958777,0.021746593814246977,0.15775000442784742,-0.049107171108928475,-0.008501532256213092,92.12957841858166,28.679701075153044,2.3787527820474494,17.255495968977947,-5.37159156471276,-0.9299407382541065,0.09519277542092627,0.2001858183646059,1.7647099867431182,1.9579235229747773,330.7341445747016,0.0,1.0,0.0,278.2605623849093,16.681143917157158,6.528557289777621,394.5049953663611,19.862149817337524,7.334167690854337,424.03054692368994,20.59200201349276,7.5127519175913,1.1917050257334696,1.0760599489532512,286.30802347356587,231.54637085232076,101.17557646519299,1.2365040420183129,2.829813611905273,2.2885599365176703,3.7540107723846945,3.8287201413622123,6.541971622826076,0.7086575621321128,3.3468066412265496,2.5443779086937695,1.7795182468849695,9.595076347381642,8.74986650951061,7.112944535842013,6.789601352067322,7.741810795765518,1.6867683636920479,0.5246708383739211,0.9447582557110952,0.8384823794881626,7.743482333291081E-10,1.3792868258338516E-40,4.738586023867882E-93,3.139921966476338E-167,4.012960138755452E-263,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.28087428976568757,2.5441484141517314,0.7212312245273749,3.2390670565837167,0.7147049121258372,1.15221665648169,0.33463232308777463,0.30657463301981785,0.07230070500471932,0.04352054867432708,0.006655235559131982,0.0059054999574860365,5.453797922141064E-12,9.714429892128527E-43,3.3374248817939255E-95,2.2114727146507996E-169,2.826360637808496E-265,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9066964460571599,2.5441642219059992,0.8894888351781849,4.220068039931055,1.614829963964534,1.7606410462328321,1.1501061318242358,1.093093332923452,0.2790153226682891,0.14082663808975335,0.06934306036724783,0.061539862721404555,5.6832779249010097E-11,1.012318493407951E-41,3.4778540436401925E-94,2.3045250741086617E-168,2.945285698147048E-264,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1591124595992306,2.5443528793489345,1.6978342964031479,9.094035582711962,7.996164144882603,6.532841167757832,6.216798294603194,7.027966704522514,1.5444776876090267,0.49489431620877683,0.8417634409588748,0.7470727044708292,6.899303348849354E-10,1.228919729769024E-40,4.221994835931587E-93,2.797613942411963E-167,3.5754752361328474E-263,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.336303736961159,2.544184288953914,1.0191737383416144,4.9874389881363665,2.4524656616855873,2.3589183916850773,1.8589940449873055,1.8501137213629708,0.4573899839048633,0.20789350794252254,0.15061937650062682,0.13367280519521443,1.2344839090148303E-10,2.1988910403884882E-41,7.554363716693936E-94,5.005736406878084E-168,6.397554104970804E-264,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.041753713732012,2.5444830478908367,2.1011417166656146,11.57729337564989,11.837736283052955,9.505140417450946,9.112123862660445,10.678548003531349,2.262945584585985,0.6352841941627432,1.377837127490759,1.2228477485906395,1.129314123845589E-9,2.0115602079333457E-40,6.910782376043616E-93,4.579281093300649E-167,5.852525218069133E-263,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2283585034703677,2.4371205253030923,1.1780629169015084,6.5353187400465975,4.533551727435639,3.6745827706652747,3.6180095234641465,3.815306312219764,1.0135876732305682,0.3363214190429801,0.39044239054984015,0.346515677237455,3.200112596921315E-10,5.700113923088878E-41,1.9582932037413187E-93,1.297620812676446E-167,1.6584172001999574E-263,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.2181391621376116,1.4471900770771282,0.7566914536967626,0.5935313316573757,0.2669097296085788,0.4732184934979203,0.39964609756144703,0.41748590394739304,5.422020692911503,8.187473826094267,17.133602648947775,0.39029699748606367,1.2903504950067604,2.482296311140144,0.9273198937047037,0.27647491981837835,0.6734223943980591,0.25157269919349234,0.28049863934805036,0.16379551436379347,0.056148188137157024,3.686091124663226,3.244556118235979,7.567060092021079,0.5101335915970886,0.5004423418490008,2.774309777585721,1.1338449838730729,0.46739124146232724,0.6340488194464388,0.2591322278673602,0.35087939153895,0.2450841885071316,0.1600337045419412,4.375546002921121,4.972274530810721,10.818063821526662,0.4510732291696582,0.7559972845880228,3.1998992263525516,1.4343238520042494,0.7448208894830708,0.5948825191770228,0.266650330538244,0.467824238646975,0.3925584805406267,0.4045728798717051,5.379043967839872,8.041357939652096,16.838900224777646,0.3923237787655343,1.2649555990593067,2.9045790644641247,1.2258783895876586,0.5524069656680539,0.6202569205789429,0.2617796031901772,0.3848613489383242,0.28657615465966596,0.22325242171733264,4.682864419719838,5.84235417498905,12.49215237107018,0.43038538086841444,0.8946899253153228,3.2752500234024207,1.4874697679975892,0.7938495534346708,0.5894374424476594,0.26769570857247066,0.4903120082344622,0.4222453717229359,0.45919797682109115,5.556569344834681,8.652718371981864,18.076792067515832,0.3841561636714892,1.3717553567784893,3.211726984912884,1.4358375676947115,0.7471445210847572,0.5953475787183924,0.2661566264428727,0.4713744510856894,0.3934142510645322,0.4067482243936375,5.394709073692353,8.083920653985281,16.924100331100494,0.3930213680775887,1.2715369265438592 +UMLCN0307,L,"1,3,5-triisopropyl cyclohexane",CC(C)C1CC(CC(C1)C(C)C)C(C)C,Naphthenes,,C15H30 ,NREL (2014),IQT,UML,,25.3,0,0.9875999999999978,0.9753537599999956,65.808,46.403789999999965,0,0,45,15,30,0,15,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2194.4437349999967,2527.1744550000026,3632.024109000005,4007.4295170000078,3650.5849140000046,3444.850098,2721.2451960000003,944.8669440000009,109.73491200000001,7285.265859167847,9794.852017355506,15053.97115557038,18869.074579857064,19154.999756526864,17462.745595028755,15430.427397284315,10499.065977704357,3357.044398540473,314.66166000000004,326.6367000000003,641.0849160000014,935.2354440000008,1195.9868880000024,1148.4910800000036,947.9923680000018,996.1989120000036,725.5941120000008,55.17188714547005,75.23982929999997,121.35389788182876,160.09558204001726,172.40941825912856,157.70097553731637,140.330836898205,112.18731946912764,48.01819372369204,7449.444902077472,6495.591772737002,13895.834460618426,20708.52271629635,27999.295720110687,27462.1016855695,21786.38533577733,24338.89438107464,19971.10641861886,71.41666666666667,86.33333333333333,142.08333333333326,208.66666666666669,245.83333333333334,226.49999999999994,216.00000000000006,216.0,108.0,48.765416333333256,56.15943233333339,40.35582343333339,30.35931452272733,21.34844978947371,20.877879381818182,20.157371822222224,6.561576000000006,1.016064,161.89479687039662,217.6633781634557,167.26634617300422,142.94753469588684,112.01754243582961,105.83482178805306,114.29946220210604,72.9101804007247,31.083744430930306,6.992481333333334,7.25859333333334,7.123165733333349,7.0851170000000065,6.994075368421067,6.960552000000022,7.022165688888902,6.918048000000025,6.718464000000007,1.2260419365660011,1.671996206666666,1.3483766431314306,1.2128453184849792,1.0082422120416874,0.9557634881049477,1.0394876807274445,0.7790786074244975,0.4446129048490004,165.54322004616603,144.34648383860005,154.39816067353806,156.8827478507299,163.7385714626356,166.43697991254243,161.3806321168691,169.02009986857388,184.9176520242487,1.5870370370370372,1.9185185185185185,1.5787037037037028,1.5808080808080809,1.4376218323586745,1.3727272727272724,1.6000000000000003,1.5,1.0,0.059142066953094236,-0.00903737852667778,0.0034743696010122015,-0.022426664755694964,-0.016012529078640418,0.03209754072426965,-0.018830752114373225,-0.05677964328492832,0.05794402395848549,1210.6600900000005,-2.1529444893531036E-12,121.06600899999783,-524.6193723333365,-242.13201800000053,403.5533633333334,-847.4620629999993,-968.5280719999934,1452.792108000007,2251.2741343922257,-1.7053025658242404E-13,225.1274134392225,-975.552124903302,-450.2548268784486,750.4247114640742,-1575.8918940745555,-1801.019307513769,2701.5289612706715,0.23715999999999973,3.436487205910055E-15,0.023716000000003425,-0.10276933333332952,-0.047431999999999475,0.07905333333333213,-0.16601199999999838,-0.1897280000000024,0.28459199999999146,10.064242848489982,2.858824288409778E-14,1.00642428484903,-4.361171901012301,-2.0128485696980167,3.3547476161633254,-7.044969993943034,-8.051394278792113,12.077091418187898,54.669126884489856,-8.326672684688674E-13,5.466912688448155,-23.689954983279925,-10.933825376898188,18.223042294830286,-38.26838881914343,-43.73530150759113,65.60295226138982,5.411111111111106,-2.683333333333332,1.5944444444444463,-1.6225925925925957,-2.323333333333352,2.8481481481481437,3.450000000000002,-8.782222222222192,4.8133333333333175,0.0013142681545132051,-2.0083063392617288E-4,3.860410667791335E-5,-1.6989897542193155E-4,-9.364052092772174E-5,1.945305498440585E-4,-1.3948705269906092E-4,-3.943030783675578E-4,5.365187403563471E-4,26.90355755555557,-4.784321087451341E-14,1.3451778777777537,-3.9743891843434582,-1.4159767134502954,2.4457779595959597,-6.277496762962958,-6.7258893888888425,13.451778777777841,50.02831409760502,-3.789561257387201E-15,2.50141570488025,-7.390546400782591,-2.6330691630318634,4.548028554327723,-11.673273289441152,-12.507078524401173,25.014157048802513,0.005270222222222216,7.636638235355678E-17,2.6351111111114916E-4,-7.785555555555267E-4,-2.7738011695906123E-4,4.791111111111038E-4,-0.0012297185185185066,-0.0013175555555555722,0.002635111111111032,0.22364984107755517,6.35294286313284E-16,0.01118249205387811,-0.033039181068275005,-0.011771044267239864,0.020331803734323185,-0.052184962918096545,-0.055912460269389674,0.11182492053877684,1.2148694863219969,-1.850371707708594E-14,0.06074347431609061,-0.17946935593393884,-0.06394049928010637,0.110442680574729,-0.28346954680846986,-0.30371737158049394,0.6074347431610169,0.1202469135802468,-0.059629629629629595,0.01771604938271607,-0.012292368125701482,-0.013586744639376327,0.01726150392817057,0.02555555555555557,-0.06098765432098744,0.044567901234567754,-0.1528079587384958,0.029373082308466962,-0.12927268673329517,-0.07124917438359867,0.14801435245618585,-0.10613287114966721,-0.3000172202404194,0.4082262348927336,-1.7783228398592893E-15,0.04999999999999908,-0.14772727272727354,-0.05263157894736851,0.09090909090909087,-0.23333333333333303,-0.24999999999999814,0.5000000000000021,-7.574833023542996E-17,0.04999999999999998,-0.14772727272727335,-0.05263157894736883,0.09090909090909079,-0.23333333333333295,-0.24999999999999836,0.5000000000000001,1.449016362755127E-14,0.05000000000000728,-0.14772727272726743,-0.0526315789473679,0.09090909090908963,-0.23333333333333137,-0.25000000000000344,0.4999999999999856,2.840575621482256E-15,0.05000000000000158,-0.14772727272727187,-0.052631578947368945,0.09090909090909086,-0.23333333333333484,-0.25000000000000394,0.49999999999999667,-1.5231032868481806E-14,0.0499999999999924,-0.1477272727272789,-0.052631578947369466,0.09090909090909256,-0.23333333333333656,-0.24999999999999567,0.5000000000000152,-0.495893223819302,0.1473305954825465,-0.10222605936158326,-0.11299038149789359,0.14355049467985803,0.21252566735112968,-0.5071868583162205,0.3706365503080073,1.6249000732555774,1.032381995754603,1.2425022061352535,1.0384871247508276,0.726744179216102,1.2297632615101675,1.3641854004778549,0.0,1.466666666666667,1.1733333333333338,1.3000000000000005,1.042105263157895,0.8400000000000004,1.2711111111111115,1.1000000000000003,0.0,1.4666666666666663,1.173333333333333,1.2999999999999996,1.0421052631578944,0.8399999999999996,1.2711111111111106,1.0999999999999996,0.0,1.4666666666666661,1.1733333333333333,1.300000000000002,1.0421052631578966,0.8400000000000009,1.2711111111111133,1.1000000000000016,0.0,1.4666666666666694,1.1733333333333342,1.3000000000000016,1.0421052631578962,0.8400000000000002,1.2711111111111126,1.100000000000001,0.0,1.466666666666669,1.1733333333333347,1.300000000000001,1.0421052631578955,0.8400000000000009,1.2711111111111122,1.100000000000001,0.0,2.0780287474332666,0.6475017111567422,1.0959958932238199,0.9787816563997273,0.6139630390143738,0.9787816563997267,2.032854209445587,0.0,97.71592308415657,48.857961542078286,64.34127631562617,97.71592308415657,6.514394872277105,48.857961542078286,7.105427357601002E-15,6.852157730108388E-16,4.568105153405592E-17,-52.375196832203486,410.4575938869257,27.363839592461712,9.025908929988262,97.71592308415657,48.857961542078286,64.34127631562617,97.71592308415657,6.514394872277105,48.857961542078286,7.105427357601002E-15,6.852157730108388E-16,4.568105153405592E-17,-52.375196832203486,410.4575938869257,27.363839592461712,9.025908929988262,97.71592308415657,48.857961542078286,64.34127631562617,97.71592308415657,6.514394872277105,48.857961542078286,7.105427357601002E-15,6.852157730108388E-16,4.568105153405592E-17,-52.375196832203486,410.4575938869257,27.363839592461712,9.025908929988262,97.71592308415657,48.857961542078286,64.34127631562617,97.71592308415657,6.514394872277105,48.857961542078286,7.105427357601002E-15,6.852157730108388E-16,4.568105153405592E-17,-52.375196832203486,410.4575938869257,27.363839592461712,9.025908929988262,97.71592308415657,48.857961542078286,64.34127631562617,97.71592308415657,6.514394872277105,48.857961542078286,7.105427357601002E-15,6.852157730108388E-16,4.568105153405592E-17,-52.375196832203486,410.4575938869257,27.363839592461712,9.025908929988262,97.71592308415657,48.857961542078286,64.34127631562617,97.71592308415657,6.514394872277105,48.857961542078286,7.105427357601002E-15,6.852157730108388E-16,4.568105153405592E-17,-52.375196832203486,410.4575938869257,27.363839592461712,9.025908929988262,127.40260123375887,63.442967283546096,84.50685880378774,126.95482345598109,8.463654897065403,63.442967283546096,-0.516666666666687,6.106226635438361E-16,4.070817756958907E-17,-52.54807871615802,83.14344178771715,5.542896119181143,6.630850995693649,0,11.89,12.110264591747015,-0.16328804896204624,0.05779276749879998,6.421593230685405,10.328271094434267,15.0,45.0,45.0,45.0,15.0,0.0,0.0,0.0,0.0,0.0,32.796209999999995,3.760879378917607,3.3614236107208533,3.361423610720847,2.947642075869704,2.5505468502875743,2.5505468502875734,2.33355279310305,2.3335527931030473,2.0617997364267904,1.7949309873451185,1.7949309873451182,1.545570920454392,1.2496297225843567,1.2496297225843562,1.2496297225843551,1.2257647898899573,3.780577454301512,3.389587386663261,3.389587386663259,2.989221731252445,2.597450412829799,2.5974504128297955,2.4054545878412914,2.405454587841291,2.0162320841842183,1.730019692677766,1.7300196926777645,1.4619654761268492,1.134540685948351,1.134540685948351,1.1345406859483504,1.1319452678561401,3.8679314206073374,3.5157117774437663,3.5157117774437645,3.171155547315347,2.8034574227621722,2.8034574227621714,2.7042369872335206,2.7042369872335197,1.88555329913028,1.5412758804672633,1.5412758804672626,1.207083549348642,0.8441679167457743,0.8441679167457726,0.7603185604308984,0.7603185604308973,3.7951221290846724,3.4104680562961374,3.4104680562961347,3.0198443063792557,2.632059136150318,2.6320591361503167,2.4575399160416938,2.4575399160416933,1.9875359853802892,1.6888344012530085,1.6888344012530063,1.4078815239641065,1.0710869112146466,1.0710869112146462,1.058262670532712,1.0582626705327112,3.911049143034768,3.5782637814786318,3.578263781478629,3.258470313891936,2.9023564113582174,2.902356411358217,2.838982085149651,2.838982085149649,1.8456624462588747,1.483434652545215,1.4834346525452142,1.1253194583402333,0.7515073867616825,0.7515073867616794,0.6313372621875613,0.6313372621875608,3.7362330975100537,3.4520099139319194,3.452009913931917,3.1109555530613715,2.6772621572583892,2.677262157258389,2.677262157258385,2.652729974786626,2.0345651264229065,1.6400386358851495,1.6400386358851475,1.292823221380537,1.006658133628214,1.0066581336282132,0.8405274633808368,0.8405274633808368,0,0,0,0,0,6,3,6,0,0.0,0.0,0.0,0.06804138174397717,0.11785113019775792,0.0,0.0,0.0,0.06804138174397717,0.11785113019775792,1.5,0.0,0.5,0.0,1.5,0.0,0.5,0.0,2.99156383156272,2.8794454097708395,4.557640714150005,2.99156383156272,2.8794454097708395,4.557640714150005,11.585421958697399,6.913591357920935,6.719396554912958,4.644923705673915,3.088274216628679,2.839091203758511,1.9414030135091844,0.8563047002507824,0.77236146391316,0.4609060905280623,0.3199712645196647,0.19353848773641313,0.11438052654180293,0.07886364454884753,0.058830394348763165,0.035679362510449265,11.585421958697399,6.913591357920935,6.719396554912958,4.644923705673915,3.088274216628679,2.839091203758511,1.9414030135091844,0.8563047002507824,0.77236146391316,0.4609060905280623,0.3199712645196647,0.19353848773641313,0.11438052654180293,0.07886364454884753,0.058830394348763165,0.035679362510449265,23.127417056788076,43.317552804078694,40.88235294117645,41.40000000000001,26.9783173652695,345.4238263473054,0.5139426012619572,0.9626122845350821,0.9084967320261433,0.9200000000000003,0.5995181636726555,7.67608502994012,4.986900000000005,68.83500000000006,74.51623707186718,97.37944249417981,149.03247414373436,9.935498276248957,74.51623707186718,4.996003610813204E-16,3.3306690738754695E-17,-52.84908475935124,82.14581442366843,5.476387628244562,6.612743839160151,147,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,3.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0000000000000004,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.445000000000002,0.0,4.454027777777778,0.0,0.0,0.0,5.600972222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4075,0.0,1.484675925925926,0.0,0.0,0.0,0.882222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4075,0.0,1.484675925925926,0.0,0.0,0.0,0.9847685185185184,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.5,1.6333333333333333,0.2,2.4075,0.2,0.882222222222222,10.767494583333333,0.4511111111111113,0.4075000000000001,4.890000000000001,0.4511111111111113,0.4075000000000001,4.890000000000001,7.5,0.5,0.0,0.0,0.43333,0.7,0.43333,0.43333,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.4,0.4,0.0,7.5,0.5,7.5,0.5,0.0,0.0,-7.5,-0.5,0.0,0.0,23.04605,1.5364,23.04605,0.0,0.0,6.91355,0.4609,6.91355,0.0,0.0,0.50045,0.03336,0.58645,0.0391,0.13333333333333333,15.0,0,0,0,0,0,0,1.0,0.9182958340544896,1.4256051990169438,2.472905595320056,2.4225797618424916,2.33012496531497,2.4729055953200563,41.32331253245203,64.15223395576247,111.28075178940252,109.01608928291212,104.85562343917364,111.28075178940253,0.16721056043327281,0.25958545758802376,0.4502861879121917,0.4411224625548623,0.4242875627667905,0.45028618791219177,4.573557262275186,4.066247897312731,3.018947501009619,3.069273334487183,3.161728131014705,3.0189475010096185,0.16721056043327281,0.25958545758802376,0.4502861879121917,0.4411224625548623,0.4242875627667905,0.45028618791219177,6.732876570223358,12.820588949772805,15.34170783425727,13.27217450345983,15.197809941253414,13.876084505190601,59.248125036057814,44.29366844699513,42.18678823927419,47.85951185216319,41.90022119951904,46.00056943049123,13.066666666666666,5.365079365079365,3.5,3,0,3,3.11,2.1134999999999997,3.114327349038794,5.060595991810496,11.815556183018474,0.0,1.5000000000000004,9.442035570794832,0.0,6.3771225031289545,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.179,0.184,0.04300000000000004,0.15800000000000003,6.247,21.0,24.0,27.0,36.0,33.0,24.0,12.0,0.0,0.0,207.0,2.772588722239781,3.091042453358316,3.2188758248682006,3.332204510175204,3.6109179126442243,3.5263605246161616,3.2188758248682006,2.5649493574615367,0.0,0.0,5.337538079701318,1.0,0.3333333333333333,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.2,9.0,0.6,1,4.0,6.0,0.5,4.5,2.000000000000001,0.9375,1.053333333333334,1.0416666666666667,0.0,0.0,0.0,0.0,0.0,0.3,0.09523809523809527,0.044642857142857144,0.05851851851851855,0.05787037037037038,0.0,0.0,0.0,0.0,0.0,0.5562698412698414,48.857961542078286,64.34127631562617,97.71592308415657,6.514394872277105,48.857961542078286,6.852157730108388E-16,4.568105153405592E-17,-52.375196832203486,410.4575938869257,27.363839592461712,9.025908929988262,0.0,255.63976938800027,4.906890595608519,4.290459441148391,5.093750200806762,5.953243334287785,6.796823718274855,7.655864017616056,8.50976567558744,9.368454615069874,10.224954919906036,11.083510843105353,98.97682676580257,3.4339872044851463,0.0,4.74493212836325,0.0,6.236369590203704,0.0,7.810758116529357,0.0,9.4343635363174,9.657970572245025,210.23475095999999,4.671883354666666,28.95149813134445,1.9300998754229635,0.0,0.0,0.0,354.0,21.0,8.169000000000002,72.0,1.2360663788427606,2.124277991903993,2.887893869150443,3.515043345796495,4.225586397277843,5.337545279927513,6.023297820302704,6.4469683140731,0.0,0.0,80.25951115540377,95.96287211103686,95.60929795915246,87.51681722892425,105.08663425178514,116.6995788923242,40.58056383384036,6.550532413070375,0.0,0.0,294.3800313729215,383.2379978370599,434.9424868696841,427.92021768263504,502.08724896033755,639.916142972783,447.1413741283051,200.39591542895357,0.0,0.0,9.006798378725904,15.189544754854678,20.5090416376723,24.65604267475669,29.563806635206117,37.564161614341145,41.707549598965386,43.313724527240794,0.0,0.0,2.2041516019745733,3.0307066884159592,3.635969038282905,3.7481434424424633,4.393998174648545,5.742068487438652,4.756447805632245,2.8664053095895015,0.0,0.0,176.2617587740576,323.8948066403438,449.64261753433146,570.4885270857104,692.0082434519632,855.1779891116619,1015.0247054825346,1192.1582433131287,0.0,0.0,2.4118142391670023,3.466238288781323,4.648653873940887,5.153045583756531,6.053778783487265,8.762140927906326,9.130360590823468,6.4469683140731,0.0,0.0,0.45599233809905243,0.634114918128608,0.7681473000124718,0.799348893388618,0.937565783666257,1.227811249076861,1.044317534022654,0.6601695553610853,0.0,0.0,449.918217695494,340.88039429744344,10.975172504472317,75.60255810833225,-57.28025406454168,-4.506555930344495,374.31565958716175,398.1606483619851,15.481728434816812,0.8561378320529918,0.6486525556978021,0.020884374148072288,0.14386216794700854,-0.1089971257119701,-0.008575409646652614,236.44137081161068,179.1397292675066,5.767681169131112,39.7307149898446,-30.101963554238203,-2.368288768717972,0.03976372159777153,0.08224932708085061,0.21551546729281393,0.6052715183112681,525.520775803826,0.0,1.0,0.0,993.2930200879708,31.516551525951737,9.977593231464333,1283.9041025416007,35.831607590807316,10.868698183739319,2106.5419331187545,45.89707978857429,12.819075426223419,1.0978033050640033,1.0116898687488025,1530.244344073753,1042.5121197669844,778.9504016668272,1.467843217415816,1.9644952243419846,1.3383549421582914,5.6688234246231275,5.562575380758677,8.748515930046297,0.5727455955577705,9.272781531643858,14.34710915346857,15.59709503585033,31.784764699278565,27.090082288085163,28.863602709170753,28.79446420579967,29.288984269429964,32.55700630757535,36.938585797752815,28.091822351601138,20.576415321469263,17.184919916516375,8.2111316595141,3.05257404732047,2.0761419905099108,0.0017923839389800426,2.9796224140601207E-25,9.555660312571006E-69,5.910661363788423E-134,7.051594956172882E-221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7091806884501806,12.296073707226325,0.9404139940151459,16.590557403642087,1.3637453363245664,5.983134420838233,4.077741008327375,5.691263544900861,2.6173782986992595,4.267159421149895,2.9975467738571253,1.0559615196269996,0.9336240082788247,0.16077809311695757,0.03490153356950885,0.014622437795503308,1.262390663702043E-5,2.0985724291901956E-27,6.7301296902728485E-71,4.16292712720741E-136,4.9664959851998434E-223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3337935891851496,12.548676900484782,3.236954474872068,19.05531036828406,4.647494827360955,9.302944213576852,7.388099770144668,8.495425106510941,6.779006603807957,8.91385092857349,5.922803656742819,3.699568458023197,2.860392947487609,0.8671398736806711,0.2584740070200325,0.15237707578794413,1.3155084024093008E-4,2.1868742720009487E-26,7.013314032990903E-70,4.33809102991871E-135,5.175471735431434E-222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.704868979537936,14.16280081407366,14.45388458555439,30.62933977908708,24.819082361051905,26.98508581226281,26.667591171240428,27.132344654804502,30.034388683284657,34.22306184947472,25.778335971670614,18.907009152933036,15.698126054433843,7.386855193864664,2.7290165940136495,1.8498051356338452,0.0015969818203708625,2.654789927168912E-25,8.513921302764566E-69,5.2662928622926375E-134,6.282844152260812E-221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.485679607099708,12.771386795094365,5.01987696471984,20.936337994243022,7.4858905535013776,11.982905189302341,10.175670569175091,11.017987495456834,10.21473671380881,12.70410482681214,8.583241444501375,5.912472760729844,4.59591786211181,1.6302162388161388,0.5284608338618292,0.33098337024618896,2.857460036984508E-4,4.750183143420202E-26,1.5233855245159375E-69,9.422913401458363E-135,1.1241816190191766E-221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.42507311676551,15.096220987677569,20.10913396405246,36.318533529503384,36.28888761669504,36.36140107347699,37.3661654112717,38.08247718751534,42.680266278643906,47.80523467405204,37.540110590501136,27.296095519362936,23.24836521275039,11.639381162682913,4.408178740078003,3.0278579740689415,0.0026140235239406253,4.345499261305663E-25,1.3936032509898851E-68,8.620144105833761E-134,1.0284088523592944E-220,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.880592583661026,11.484285748249608,7.605897525595702,24.60877396885449,12.750338640754114,16.83152098902069,15.032640018543102,15.669589684017499,16.93329227404535,20.47925756450144,15.219839650491803,10.934105243689128,9.020493046169975,3.5798278566240405,1.2095826666826845,0.778228984364398,6.718640337701118E-4,1.116893033175389E-25,3.5818801671444835E-69,2.215574855230979E-134,2.6432467557499347E-221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.263488125482457,3.754832541307064,1.2921885611635204,0.5104973972781579,0.36417527575915043,0.4847856352159862,0.4736794907635607,0.4940470002473541,10.310509227953041,31.41688730087484,67.26558647118685,0.31200900955596256,1.452512126226901,4.267810719210404,3.0125490023661152,0.6925242067025894,0.5352907125704991,0.37784934905183715,0.3188195578135537,0.3043446134935305,0.14144514795227714,7.972883928279108,17.89881426513898,34.775474248903144,0.36971009243350433,0.7646093192593613,4.663018266894955,3.3075737313068845,0.9307208225153671,0.5238573636061968,0.3715826865008866,0.3805251187032165,0.36721272701232993,0.25583307989982007,8.901312820717207,22.84167266868673,46.097750291743246,0.34316007516062513,1.0035709256153664,5.238815815590701,3.736474977185018,1.277345419092938,0.5109725642587555,0.3644404131748671,0.4802520336537834,0.4690448252180887,0.48272837115061834,10.252636211868658,31.039250784214868,66.29554574248525,0.31311946615043396,1.4320252300224905,4.839289705279976,3.4389800504514905,1.0368820359350597,0.5195073374552283,0.3691813217180265,0.4098171880683211,0.39709766389898543,0.31770520716114237,9.315151791666526,25.225809953155583,51.79698148355344,0.33303298875988213,1.124620059128449,5.340736513630046,3.8123000759586305,1.3386576003153534,0.5090442417554775,0.3633636290721415,0.4991186400683942,0.48833471128234923,0.5303337948463515,10.491694189904031,32.613272213204255,70.36069137768868,0.3086118062414286,1.5177871461970949,5.261670679296121,3.7481284672306545,1.2835070264251027,0.5111740184239753,0.3641326124233784,0.4844497019865467,0.47205147384355667,0.4875541500201507,10.293306172951878,31.285558169508658,66.89144247790475,0.31295994627103046,1.444055325850254 +UMLCN0308,L,2-methyl-3-cyclohexylnonane,CC(C(CCCCCC)C1CCCCC1)C,Naphthenes,,C16H32,NREL (2014),Unknown,UML,,63,0,-1.2372000000000023,1.5306638400000057,59.50869999999999,49.49737599999996,0,0,48,16,32,0,16,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2340.7399839999966,2695.6527520000022,3462.5346190000055,3641.349787000005,3521.385522000003,3257.0714560000015,2617.5330839999983,1974.8559689999925,1521.7374549999947,7770.950249779037,10447.842151845874,15292.136026915048,17694.73898958192,17758.963637374276,17141.403066616687,15069.753205705607,11724.345044435062,8909.880700302463,335.639104,348.41248000000024,683.7432760000012,990.8641720000021,1071.0628560000025,1070.2170880000026,1064.5338720000034,894.0387240000025,665.8952920000007,58.850012955168054,80.25581791999996,126.02231517213073,154.0570727521483,157.7170719203364,154.36636054033633,140.9756237288259,111.9002188394296,84.51224192729882,7946.074562215969,6928.631224252804,14803.63592151892,22743.389010873867,24988.729026787732,25041.385410033534,25464.649219638624,21741.51223215238,16137.017558956903,71.83333333333334,87.88888888888889,149.1944444444444,202.16666666666666,215.0833333333333,218.75,210.08333333333331,170.91666666666666,130.75,48.76541633333326,56.15943233333338,36.06806894791672,25.825175794326277,23.015591647058844,21.288048732026155,17.108059372549008,15.308960999999941,15.851431822916611,161.89479687039662,217.66337816345572,159.29308361369843,125.49460276299236,116.07165776061618,112.03531416089338,98.49511899153991,90.88639569329506,92.81125729481732,6.992481333333333,7.258593333333338,7.122325791666679,7.02740547517732,7.000410823529428,6.994882928104592,6.957737725490218,6.930532744186066,6.936409291666674,1.2260419365660011,1.6719962066666658,1.312732449709695,1.0926033528521155,1.0308305354270353,1.00893046104795,0.9214093054171627,0.8674435568948031,0.8803358534093627,165.54322004616603,144.34648383860008,154.20454084915542,161.30063128279338,163.32502631887408,163.66918568649368,166.43561581463152,168.53885451280917,168.09393290580107,1.496527777777778,1.8310185185185184,1.5541087962962958,1.433806146572104,1.4057734204793024,1.4297385620915033,1.3730936819172113,1.3249354005167957,1.3619791666666667,0.06521006344642526,-0.004908220978172197,-0.018825103534979154,-0.007137642313562031,0.0014267365281387463,-0.007679543824505391,-0.007879999186464277,0.004682706789945149,0.005568388160926649,1291.3707626666678,-2.2950530365051236E-12,-282.4873543333357,-161.42134533333524,-80.7106726666683,-242.1320180000012,-161.42134533333308,80.71067266666702,40.3553363333339,2401.359076685042,-5.6843418860808015E-14,-525.2972980248531,-300.169884585633,-150.08494229281848,-450.25482687845,-300.1698845856339,150.0849422928124,75.0424711464069,0.25297066666666634,3.644654023027272E-15,-0.055337333333329575,-0.03162133333333164,-0.015810666666666,-0.04743199999999953,-0.03162133333333442,0.015810666666664693,0.007905333333332014,10.735192371722643,3.1030733538273125E-14,-2.348323331314302,-1.3418990464653184,-0.670949523232661,-2.012848569698006,-1.3418990464653575,0.6709495232326521,0.3354747616163234,58.313735343455846,-8.824052599720744E-13,-12.756129606381872,-7.289216917932398,-3.6446084589661716,-10.93382537689816,-7.289216917931787,3.6446084589664682,1.8223042294833405,4.145833333333333,-1.1736111111111114,-0.430555555555556,-0.5742187500000004,0.5664062499999998,-0.516927083333333,-0.6731770833333335,0.13932291666666652,1.3125,0.0013585429884671928,-1.0225460371192077E-4,-1.9609482848936618E-4,-5.06215766919293E-5,9.325075347312067E-6,-5.01930968921921E-5,-5.150326265662926E-5,3.630005263523372E-5,5.800404334298593E-5,26.90355755555558,-4.781360492719008E-14,-2.9425766076389137,-1.144832236406633,-0.527520736383453,-1.5825622091503346,-1.0550414727668829,0.6256641291989692,0.4203680868055615,50.02831409760504,-1.1842378929335002E-15,-5.471846854425554,-2.1288644296853403,-0.9809473352471796,-2.942842005741503,-1.9618946704943392,1.1634491650605612,0.7816924077750719,0.005270222222222215,7.59302921464015E-17,-5.764305555555164E-4,-2.242647754136996E-4,-1.0333769063180393E-4,-3.100130718954218E-4,-2.0667538126362364E-4,1.2256330749352474E-4,8.234722222220848E-5,0.22364984107755506,6.464736153806901E-16,-0.024461701367857313,-0.009517014513938429,-0.00438529100152066,-0.01315587300456213,-0.008770582003041552,0.0052011590948267605,0.003494528766836702,1.2148694863219969,-1.8383442916084885E-14,-0.13287635006647783,-0.05169657388604538,-0.02382097032004034,-0.07146291096011868,-0.04764194064007704,0.02825277875167805,0.018982335723784795,0.08637152777777778,-0.024450231481481486,-0.004484953703703709,-0.004072473404255322,0.0037020016339869267,-0.0033786083877995624,-0.004399850217864924,0.0010800226098191203,0.013671875,-0.07526784546383171,-0.14434201210711387,-0.03726166718437394,0.006864026701012455,-0.036946270613654714,-0.0379106609756523,0.02671984099390928,0.042695773218358234,-1.7772223925573952E-15,-0.10937500000000082,-0.04255319148936217,-0.019607843137255283,-0.05882352941176495,-0.039215686274509706,0.023255813953488455,0.015625000000000205,-2.367135319857185E-17,-0.10937500000000004,-0.04255319148936209,-0.01960784313725534,-0.05882352941176531,-0.03921568627451028,0.02325581395348795,0.015624999999999863,1.4407417551813425E-14,-0.10937499999999271,-0.04255319148935948,-0.019607843137254104,-0.058823529411764205,-0.0392156862745112,0.0232558139534855,0.015624999999997414,2.8905614788991173E-15,-0.10937499999999878,-0.042553191489361326,-0.019607843137254777,-0.05882352941176501,-0.039215686274510594,0.023255813953487917,0.015624999999999572,-1.5132031154836676E-14,-0.10937500000000776,-0.04255319148936414,-0.019607843137255877,-0.05882352941176571,-0.03921568627450876,0.02325581395349142,0.01562500000000296,-0.28308207705192634,-0.051926298157454,-0.0471506468512777,0.04286136565178834,-0.0391171543994482,-0.050940979406838116,0.012504382377001272,0.15829145728643215,1.5478230034444356,1.2838305906423662,1.0339969220004421,0.9573613316320193,1.0463113261810295,0.9854731815608678,0.8651633052094397,0.8900279675544199,1.4687499999999998,1.3310546875,1.09375,1.0223651960784312,1.0511642156862744,0.964767156862745,0.8539244186046512,0.8720703124999999,1.468749999999999,1.331054687499999,1.0937499999999991,1.0223651960784306,1.0511642156862735,0.9647671568627443,0.8539244186046504,0.8720703124999994,1.4687499999999996,1.331054687500001,1.0937500000000016,1.0223651960784328,1.0511642156862762,0.9647671568627463,0.8539244186046514,0.8720703124999997,1.4687500000000033,1.3310546875000009,1.093750000000001,1.0223651960784326,1.051164215686276,0.964767156862746,0.8539244186046521,0.8720703125000014,1.4687500000000022,1.331054687500001,1.0937500000000009,1.0223651960784321,1.0511642156862753,0.9647671568627458,0.8539244186046521,0.8720703125000011,1.836962590731435,0.9808068118369625,0.957007258514796,0.8376961058013376,1.0723333442813194,1.0239651416122004,0.8641657901912664,0.8069514237855946,128.00805990286875,64.00402995143432,93.80147075548253,128.00805990286867,8.000503743929292,64.00402995143432,-9.947598300641403E-14,0.2699010279402856,0.01686881424626785,-2.0955199205897546,111.935132330759,6.995945770672438,7.548671244623815,128.00805990286875,64.00402995143432,93.80147075548253,128.00805990286867,8.000503743929292,64.00402995143432,-9.947598300641403E-14,0.2699010279402856,0.01686881424626785,-2.0955199205897546,111.935132330759,6.995945770672438,7.548671244623815,128.00805990286875,64.00402995143432,93.80147075548253,128.00805990286867,8.000503743929292,64.00402995143432,-9.947598300641403E-14,0.2699010279402856,0.01686881424626785,-2.0955199205897546,111.935132330759,6.995945770672438,7.548671244623815,128.00805990286875,64.00402995143432,93.80147075548253,128.00805990286867,8.000503743929292,64.00402995143432,-9.947598300641403E-14,0.2699010279402856,0.01686881424626785,-2.0955199205897546,111.935132330759,6.995945770672438,7.548671244623815,128.00805990286875,64.00402995143432,93.80147075548253,128.00805990286867,8.000503743929292,64.00402995143432,-9.947598300641403E-14,0.2699010279402856,0.01686881424626785,-2.0955199205897546,111.935132330759,6.995945770672438,7.548671244623815,128.00805990286875,64.00402995143432,93.80147075548253,128.00805990286867,8.000503743929292,64.00402995143432,-9.947598300641403E-14,0.2699010279402856,0.01686881424626785,-2.0955199205897546,111.935132330759,6.995945770672438,7.548671244623815,147.67859601082824,73.60354545857707,108.10497881058184,147.4715647608282,9.216972797551762,73.60354545857707,-0.27604166666674246,0.18847900477631546,0.011779937798519716,-2.670029854070944,115.00246053713515,7.187653783570947,7.591925638575117,0,11.899999999999993,12.100320657229208,-0.15114651655880557,0.049194514562721975,5.177437109901441,10.831084891124087,16.0,48.0,48.0,48.0,16.0,0.0,0.0,0.0,0.0,0.0,34.982623999999994,3.71285871009988,3.455331617610468,3.33649759195679,3.0328529286511476,2.79197222644936,2.750129471945502,2.4982191293599323,2.3335527931030495,2.0372709208860327,1.883654665941814,1.7935051916909466,1.606210619355177,1.384715907989656,1.3728744165178635,1.2496297225843558,1.2283818045518942,3.7341705527790205,3.4844673212667816,3.3673996145113474,3.0727171097281802,2.8319473307902494,2.7929956936812457,2.5504627834909366,2.405454587841292,1.9884761999270337,1.8215606361567795,1.7270620712464688,1.5257051536770967,1.2999101169909362,1.2852290050479287,1.13454068594835,1.1295756172332911,3.8286783461228096,3.6122245215269775,3.5033443373409683,3.246868169071111,3.009328457203729,2.9815376553220228,2.7771651685947005,2.704236987233519,1.8477249938225562,1.637642633125276,1.530460968142879,1.2812521352840756,1.0447979957005757,1.0189282736728753,0.8214294375417267,0.7603185604308977,3.7499095933463615,3.5059154192559667,3.3901745692143113,3.102052890240909,2.8615273912674253,2.824624263979156,2.588864979335704,2.4575399160416946,1.9576622415413554,1.7819042168931258,1.6846337627766075,1.4737249226612148,1.2453180868014626,1.2285965048401608,1.0650700672698732,1.0582626705327107,3.8752611411544895,3.6741748448229177,3.569464921739886,3.3304494932254607,3.0957582453511674,3.0724805342736476,2.8843970482354306,2.8389820851496474,1.804595779402122,1.579918387176504,1.468908605208337,1.2030090367008808,0.96427872296407,0.9339036709558717,0.7204248084913374,0.6313372621875579,3.729928378259539,3.5356025352210283,3.4628278148698035,3.2095427094438262,2.9142911568801853,2.8606408939919525,2.72136310850432,2.672604351352111,1.9609010667152489,1.7335308858170169,1.604624658930202,1.3453208130515064,1.1589521862111491,1.1545102268461378,0.9418854216303838,0.8013631085043207,0,0,0,0,0,3,10,3,0,0.0,0.0,0.0,0.10206207261596577,0.05892556509887897,0.0,0.0,0.0,0.10206207261596577,0.05892556509887897,0.6360827634879543,0.0,0.2041241452319315,0.0,0.6360827634879543,0.0,0.2041241452319315,0.0,1.4387714471543238,2.184922224769916,2.619378335394647,1.4387714471543238,2.184922224769916,2.619378335394647,11.803118619434356,7.753218857624056,6.155296949107125,4.502644343979622,3.4825023129748014,2.4812297402849515,1.3442260923100258,0.9128603985360347,0.7376949137146472,0.4845761786015035,0.32396299732142764,0.20466565199907372,0.13930009251899206,0.09543191308788275,0.06401076630047742,0.04564301992680174,11.803118619434356,7.753218857624056,6.155296949107125,4.502644343979622,3.4825023129748014,2.4812297402849515,1.3442260923100258,0.9128603985360347,0.7376949137146472,0.4845761786015035,0.32396299732142764,0.20466565199907372,0.13930009251899206,0.09543191308788275,0.06401076630047742,0.04564301992680174,24.66924486057394,46.20538965768395,43.60784313725487,44.16000000000002,28.77687185628747,368.4520814371258,0.5139426012619571,0.9626122845350823,0.9084967320261431,0.9200000000000004,0.5995181636726556,7.676085029940121,5.809300000000006,73.66200000000006,84.40751159428501,120.11200748035753,168.81502318857002,10.550938949285626,84.40751159428501,0.21453821032145837,0.013408638145091148,-2.4628278716507954,171.15469741763397,10.697168588602123,8.228108497283998,244,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,10.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.2000000000000006,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.193700605050713,0.0,14.80883718784422,0.0,0.0,0.0,2.997462207105064,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.306611130371953,0.0,1.370807350718065,0.0,0.0,0.0,0.9071541950113378,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4435447373393804,0.0,1.524429012345679,0.0,0.0,0.0,1.065163454270597,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,25.0,1.5625,0.2,2.4435447373393804,0.2,0.9071541950113378,11.519459623942474,0.4261791383219955,0.4435447373393803,2.501043185410069,0.4261791383219955,0.4435447373393803,2.501043185410069,8.0,0.5,0.0,0.0,0.43333,0.7,0.43333,0.43333,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.1875,0.1875,0.0,8.0,0.5,8.0,0.5,0.0,0.0,-8.0,-0.5,0.0,0.0,22.74383,1.42149,22.74383,0.0,0.0,7.7532,0.48458,7.7532,0.0,0.0,0.1608,0.01005,0.2468,0.01542,0.125,16.0,0,0,0,0,0,0,1.0,0.9182958340544896,1.3614405016961446,2.6268908982340324,3.4850877607321724,3.684227221973716,3.747862303483989,44.0782000346155,65.34914408141495,126.09076311523356,167.28421251514428,176.84290665473839,179.89739056723147,0.16442291849514026,0.2437689602249521,0.47035067789530116,0.6240127414073346,0.6596691063723331,0.6710631097344069,4.666666666666668,4.223521999025012,2.9580716024871245,2.0998747399889846,1.9007352787474407,1.8371001972371679,0.16442291849514026,0.2437689602249521,0.47035067789530116,0.6240127414073346,0.6596691063723331,0.6710631097344069,6.732876570223358,12.050612581923218,18.012385863729897,19.39591411319797,20.79776172841,18.684121615763686,63.19800003846167,49.767130088307084,39.13374530862596,33.69843411865486,29.498248379208498,34.43309367576512,14.0625,8.14404432132964,5.264462809917355,10,0,9,3.2199999999999998,2.2544000000000004,0.5952753944880748,6.288575237577775,3.2140985943166847,0.0,13.69109390927961,10.33151091697212,0.0,2.381101577952299,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.125,0.124,0.16000000000000003,0.203,7.430000000000001,19.0,22.0,25.0,26.0,21.0,20.0,16.0,8.0,6.0,195.0,2.833213344056216,2.995732273553991,3.1354942159291497,3.258096538021482,3.295836866004329,3.091042453358316,3.044522437723423,2.833213344056216,2.1972245773362196,1.9459101490553132,5.278114659230517,1.0,0.5,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.4375,10.0,0.625,1,5.0,10.0,1.0,2.0,1.333333333333334,0.9375,0.5111111111111114,0.31944444444444453,0.22204081632653058,0.10590277777777779,0.032753842277651796,0.025625000000000002,0.012345679012345678,0.125,0.07017543859649127,0.049342105263157895,0.02839506172839508,0.019965277777777783,0.018503401360544215,0.011766975308641977,0.004679120325378828,0.008541666666666668,0.012345679012345678,0.3487147260393994,64.00402995143432,93.80147075548253,128.00805990286867,8.000503743929292,64.00402995143432,0.2699010279402856,0.01686881424626785,-2.0955199205897546,111.935132330759,6.995945770672438,7.548671244623815,0.0,272.9357540138673,5.0,4.2626798770413155,5.030437921392435,5.831882477283517,6.6293632534374485,7.444833273892193,8.254528881939745,9.076466063419854,9.891870333195937,10.717191695635183,99.13925377723763,3.4965075614664802,0.0,4.6913478822291435,0.0,6.089044875446846,0.0,7.587310506022615,0.0,9.141311785565748,9.38437770918244,224.25040102399998,4.671883354666666,31.390100196135982,1.961881262258499,0.0,0.0,0.0,491.0,19.0,8.921000000000001,70.0,1.2369163968317547,2.127483646846954,2.861892754857352,3.563572113767362,4.347294452103616,5.1311995279421785,6.212774038250782,7.156029161851106,8.334787710226518,9.166450293976943,80.3821382534202,85.6273913474909,82.71679418107425,94.38393245130648,107.91958323788369,103.27128854416611,109.50494090934038,130.11429377158188,106.4952532618152,62.04480012996079,294.74002835805163,363.15280170398,384.23376834353456,449.8515317096407,531.5392386018169,558.5653471962628,608.7905079098009,722.3626563643353,738.7017701994396,556.6704931807362,9.0132079529722,15.203012893515414,20.16822329966271,25.032199149650545,30.511974834914593,35.858069645115116,43.17004810293706,49.81163476931325,57.889019294347875,62.6887906333548,2.2065222171440784,2.937405957172377,3.2797689901768217,3.8972643448562683,4.659411816167177,5.079663080198263,5.667808948665031,6.687116636707721,7.241410791388197,6.10316794840757,176.36953625763704,324.51238454339756,457.56342269001385,575.8017496736454,704.0653034224605,842.2266713163278,1038.8444471678388,1189.7094433097398,1393.318215742781,1608.4221454094745,2.317282235128594,3.389709063272932,4.194443352661211,5.144424498300163,6.370171922347937,7.2968806416770375,8.409993483314055,10.071715609027677,11.918703405626827,11.067890229079387,0.45647047321786166,0.6168162929999587,0.696107807980442,0.8295574753603483,0.9936618028919607,1.0900919646237723,1.2221981648751563,1.4401359094210573,1.572419481476613,1.351682955716234,504.8251414992216,417.4458735950848,12.788494496940517,110.10172875926422,-91.0444202714317,-6.282859211045195,394.7234127399574,508.4902938665165,19.07135370798571,0.820951508082607,0.678854500893107,0.02079677294239044,0.1790484919173929,-0.14805731327557856,-0.010217246171734504,310.4305442899136,256.69868455214504,7.863988896321502,67.70451147598308,-55.98566041200975,-3.8634989509227218,0.03671581374791559,0.07880631598593679,0.09746748047616419,2.312302755834918,614.9268702584859,0.0,1.0,0.0,1055.3745892341208,32.48652935039569,10.18127600861917,1365.359743851326,36.95077460421264,11.093851920517729,2102.7462775518075,45.8557115041497,12.811371481434524,1.2579682735518596,1.2489150455437859,2660.3486915441495,2302.297934680737,650.5603798469126,1.1555188629021047,4.089318645826807,3.538945816562799,6.665272360713559,6.668313229328093,11.867391019487807,0.7796691024191104,9.793290419736582,14.50229240730694,12.110639270101776,44.89264941144812,31.034671727922547,22.90143559904693,27.696824269685326,26.431595183819997,36.06082382300842,25.491770954207524,15.375254285421402,24.394261573235525,13.529872084519953,18.314830715653308,11.154376922762708,8.360522081159692,13.01312162583677,8.244533658717964,7.397035240761374,4.921768599732358,3.377635860360927,1.0755182645086414,0.17567129456963898,4.166681599879084E-18,1.94343093444883E-56,1.7483324752913295E-116,3.0335757422687867E-198,1.0152232751934272E-301,0.0,0.0,0.7557304179145446,13.168336085515804,0.8210794349476439,15.817805014166122,1.575977075182827,4.447463843741609,3.353350331995255,3.3531342998400877,6.790513373373612,2.590346515583737,1.6509899117642053,2.623722375498014,0.5462472926955538,3.482041017305743,2.7179309321964396,1.1032927471073322,1.5395729805797504,1.2204386752271823,0.28089913615039463,0.8646235773724238,0.14404663977798193,0.007767779674503305,0.0012372672914674721,2.934627919785781E-20,1.3687742976507763E-58,1.231364857638033E-118,2.1365721993984857E-200,7.150300537207963E-304,0.0,0.0,2.4821726256143193,13.257478690334603,2.7548113447680005,18.640227342515708,4.812411832924403,7.1975990795038625,6.36337672130988,6.774304763306606,10.743634039547171,5.651746490331535,3.133217903746247,5.565012093562489,2.0264749686567227,5.682164369058619,3.9508628144118787,1.9768692596428057,2.9547765430461506,1.9912033313771338,1.1159013793405563,1.4019397607470343,0.5568645851829083,0.0794323387191157,0.01289327911518697,3.058108553418696E-19,1.4263683512051718E-57,1.2831771203883812E-117,2.22647296235567E-199,7.45116445083987E-303,0.0,0.0,9.198161027252569,14.35583745622208,11.28835631841593,42.01165370955427,28.24892252206035,21.412017000091346,25.51350647978856,24.56251805491513,33.553750576356066,23.519041031098574,14.068380008324445,22.5299353666078,12.321114178619874,17.114012787439542,10.464866955006196,7.7012277260393756,11.982850776034887,7.579975141187589,6.742920747490293,4.570505791211943,3.0922172807653983,0.9584001761976207,0.156519960755937,3.71243829046315E-18,1.7315619739525551E-56,1.5577327593066162E-116,2.702861371251798E-198,9.045456605819992E-302,0.0,0.0,3.7024516845471513,13.37305222735841,4.192328539170593,21.501859838643846,7.8585863589614116,9.387364083418715,9.01133182703969,9.505750485073996,14.057574531337119,8.23231455833648,4.5424148680241325,8.030250939854547,3.3900041449081506,7.438201330097103,4.94246371294358,2.7570142302220364,4.201453248071403,2.717168383479618,1.8724684657886472,1.857144995327871,0.9136578439646431,0.17206317672299565,0.028005925123594084,6.6426204227585E-19,3.0982626596102434E-57,2.7872321721148857E-117,4.83619679031011E-199,1.61849248612021E-302,0.0,0.0,12.044311539472885,15.118114600309056,15.30408730332769,56.809844509943574,42.464385287020136,28.824471531097654,36.56754829697623,33.86996174319753,46.15540468262013,33.44391290466043,20.74390687054157,31.900556794316284,18.47532192121924,23.093331875094265,13.903792260748638,11.045722277174235,17.200020824059813,10.971406884876977,10.066982771799557,6.3391574738900935,4.533717295008927,1.56791339563731,0.2562000732652472,6.0767135221332504E-18,2.83431137119764E-56,2.549778604176481E-116,4.4241851198793554E-198,1.4806077345893994E-301,0.0,0.0,6.296370732938002,12.731600690602697,6.797577037364885,28.506212790208835,14.862319324241296,14.05885717290516,15.131727128926467,15.24522570259534,21.21869908200972,14.346833451676797,8.34927796153642,13.568655860062053,6.526668426444299,11.494441058364819,6.984368025702131,4.654520948546918,7.565628924340226,4.830758450517533,3.6342485023034166,3.0434293873918516,1.8524095492768662,0.4415595637083861,0.07195496225572412,1.7066727833104729E-18,7.960293107502407E-57,7.161169818793287E-117,1.242552624033295E-198,4.158354535192278E-302,0.0,0.0,10.725628534523588,2.922741581890729,1.182011985977093,0.7232199723831844,0.19707796884204587,0.4335232927349238,0.3947956067008832,0.42543894337426447,14.830382102391411,47.48077757641911,99.36515570064637,0.5848299585747766,1.2537578428100715,9.631936908024558,2.250037804238158,0.6523195589668549,0.7684466871128994,0.1795105297154825,0.3502285731395552,0.23427412346071322,0.13103635584561438,12.534294271229571,29.42306667505059,56.094575354758625,0.6526700306693491,0.7155390524458828,10.065633983049391,2.5176812239925446,0.8629106223905407,0.7485843321935514,0.18724073624299734,0.3821520667671342,0.2932429730988849,0.22836472693070198,13.446225829432477,36.20033404374965,71.51449064427351,0.622876498290327,0.9037597667967211,10.698485336377367,2.9061326655101896,1.1689194351066412,0.7241654466307743,0.196712038528632,0.4313439159491519,0.3903421030331237,0.4161968769307375,14.773537436994197,46.99392009713608,98.11058617359154,0.5862481699461614,1.237882895913013,10.259247265838374,2.63677682062129,0.9566871730328597,0.7405948968154706,0.19034373641581878,0.3968722335331329,0.3215691344627076,0.28013918429570317,13.852711259492523,39.38880621422373,79.1211926193004,0.6108923452232059,0.9985805522915436,10.810627122008494,2.9747258362564506,1.2229946146332982,0.7203076201093648,0.19820475384166528,0.44038507125246823,0.4088938830715165,0.4550004213179178,15.008347572898243,49.01806423475062,103.3562697802217,0.5804614301640472,1.3042793756419024,10.724683590687967,2.917596445518737,1.1726151399402422,0.7239122155893134,0.19693669181110904,0.43342565701958,0.3934267142739571,0.4188310095162394,14.814895176146946,47.287442837264834,98.7938160298458,0.5858683233839701,1.2456833808097767 +UMLCN0309,L,"1,2,4-trimethyl-5-hexadecyl cyclohexane",C1(C((C)C(C)C(C(C)C1CCCCCCCCCCCCCCCC))),Naphthenes,,C25H50,NREL (2014),Unknown,UML,,42,0,-3.5062000000000015,12.293438440000012,89.2524,77.33964999999992,0,0,75,25,50,0,25,0,0,0,0,0.0,0.0,0.0,0.0,0.0,3657.4062249999965,4211.957425000004,5326.977461000013,5599.772501000032,4971.415704000042,4321.797501000051,3879.770011000002,3607.322562000002,3401.4212570000022,12142.10976527979,16324.753362259189,23739.187445315245,27482.968739254757,26675.4788173498,23629.02107866403,20898.209606471086,19109.740330000066,17823.188285166634,524.4360999999994,544.3945000000004,1068.3325640000003,1559.246996000002,1698.6194880000025,1628.1029640000038,1400.3587000000032,1274.612616000003,1151.2615400000027,91.95314524244972,125.39971549999986,196.21795076062148,240.27084520246808,241.89986915944823,218.15579503248517,191.43674952550487,174.40011609156167,161.37707108852447,12415.74150346245,10825.986287894995,23126.92262489995,35868.68169304151,39851.798239353855,38966.016240853955,33329.72646334711,30377.283065958403,27234.069042701598,111.36111111111111,136.38888888888889,232.72222222222223,319.6388888888888,341.58333333333326,317.16666666666663,275.4166666666667,248.16666666666669,226.91666666666669,48.765416333333285,56.15943233333339,35.51318307333342,25.2242004549551,20.458500839506346,18.469220089743807,19.302338363184088,19.712145147540994,20.614674284848498,161.89479687039722,217.66337816345586,158.26124963543498,123.79715648312954,109.77563299320904,100.9787225583933,103.97119207199545,104.42481054644846,108.01932294040384,6.992481333333326,7.258593333333339,7.122217093333335,7.023635117117125,6.990203654320998,6.9577049743589905,6.966958706467677,6.9650962622950985,6.977342666666683,1.2260419365659962,1.6719962066666647,1.3081196717374766,1.082301104515622,0.9954727125903219,0.9322897223610478,0.9524216394303725,0.9530060988609927,0.9780428550819665,165.543220046166,144.34648383859994,154.17948416599967,161.57063825694374,163.99916970927512,166.5214369267263,165.81953464351798,165.99608232764155,165.0549638951612,1.4848148148148148,1.8185185185185184,1.5514814814814815,1.4398148148148144,1.4056927297668036,1.3554131054131053,1.3702321724709785,1.3561020036429874,1.3752525252525254,0.10219226106577664,-0.006309399263595458,-0.03064524097408019,-0.009637119574395555,-0.017749746765955532,0.006549027443541934,-9.771082342338116E-4,0.004884416706181631,1.457746449696172E-6,2017.7668166666656,6.409095476556104E-12,-524.6193723333262,-282.48735433333195,-443.9086996666706,80.7106726666632,-1.588063014423824E-12,121.06600899999923,3.552713678800501E-15,3752.1235573203867,-2.8407498575688805E-11,-975.5521249033275,-525.2972980248649,-825.4671826104798,150.0849422928254,4.838796030526282E-12,225.12741343922636,5.186961971048731E-13,0.3952666666666666,-3.5383154739498934E-14,-0.10276933333336856,-0.05533733333334719,-0.0869586666666675,0.01581066666667896,7.262419832176903E-15,0.023716000000007124,2.8770388849075346E-15,16.773738080816692,3.824718319833664E-14,-4.361171901012295,-2.348323331314311,-3.6902223777796577,0.6709495232326631,-4.718447854656915E-16,1.006424284848993,-4.0245584642661925E-15,91.1152114741498,-1.7785772854495008E-12,-23.689954983280813,-12.756129606381766,-20.04534652431323,3.644608458966534,3.013145288832675E-13,5.46691268844929,8.815170815523743E-14,6.142962962962958,-1.5988888888888937,-1.0081481481481502,0.17053333333333232,-1.1317185185185168,0.5172888888888932,-0.47202962962962514,0.3256148148148171,0.016592592592594248,0.0013625634808770218,-8.412532351460611E-5,-2.0430160649386793E-4,-4.341044853331331E-5,-7.30442253743026E-5,2.7987296767273223E-5,-4.861234996188117E-6,2.6690801673123668E-5,8.834826967855588E-9,26.90355755555554,8.545460635408139E-14,-3.4974624822221743,-1.2724655600600538,-1.8267847722908255,0.34491740455838976,-7.90081101703395E-15,0.6615628907103783,2.153159805333637E-17,50.028314097605154,-3.7876664767585073E-13,-6.5036808326888496,-2.366204045157049,-3.3969842905781062,0.6413886422770316,2.4073612092170557E-14,1.230204445023095,3.14361331578711E-15,0.005270222222222221,-4.717753965266524E-16,-6.851288888891238E-4,-2.492672672673297E-4,-3.5785459533608024E-4,6.75669515670041E-5,3.613144195112887E-17,1.2959562841533947E-4,1.7436599302469905E-17,0.2236498410775559,5.099624426444886E-16,-0.029074479340081963,-0.010578033023938336,-0.015186100320080895,0.0028673056548404407,-2.347486494854187E-18,0.005499586256005427,-2.4391263419795106E-17,1.2148694863219973,-2.3714363805993343E-14,-0.15793303322187208,-0.05746004327198993,-0.08249113796013675,0.015575249824643308,1.4990772581257089E-15,0.02987383982759175,5.342527766984087E-16,0.0819061728395061,-0.021318518518518584,-0.006720987654321001,7.681681681681636E-4,-0.004657277853985666,0.0022106362773029625,-0.0023484061175603243,0.0017793159279498201,1.0056116722784392E-4,-0.06174048012827876,-0.14993914732131822,-0.031859395281438135,-0.05360794296885695,0.02054017824494976,-0.003567712671309197,0.01958866654487465,6.483974575752611E-6,3.176331092184318E-15,-0.12999999999999828,-0.04729729729729709,-0.06790123456790187,0.012820512820512277,-2.9367160832610574E-16,0.024590163934426087,8.003253104677277E-19,-7.571045607031203E-15,-0.13000000000000358,-0.047297297297298264,-0.0679012345679008,0.01282051282051367,4.811997471112655E-16,0.024590163934426576,6.283668303620877E-17,-8.95171734006551E-14,-0.13000000000004458,-0.04729729729730915,-0.0679012345679019,0.012820512820522791,6.855772001184008E-15,0.02459016393443362,3.3085131076536764E-15,2.2801824503315743E-15,-0.12999999999999864,-0.047297297297296766,-0.06790123456790097,0.012820512820512733,-1.0496258273843978E-17,0.024590163934426024,-1.0906005254587619E-16,-1.9520091724246275E-14,-0.13000000000001022,-0.04729729729730024,-0.06790123456790217,0.012820512820514727,1.2339409911958091E-15,0.02459016393442759,4.3976145809362E-16,-0.26027975400940656,-0.08205715663812878,0.009378635840712243,-0.05686113381358363,0.02698986169985833,-0.028671906355116728,0.021723831870845225,0.0012277605428456777,1.5448134120739365,1.3148255104369904,1.0576097532003834,1.043006293392118,0.912904392321357,0.967786041616459,0.9289925790287813,0.9755032409945317,1.480000000000002,1.361600000000002,1.1000000000000014,1.0597530864197546,0.9202564102564116,0.949850746268658,0.9219672131147554,0.9687272727272741,1.4799999999999953,1.3615999999999957,1.0999999999999965,1.0597530864197495,0.9202564102564073,0.9498507462686536,0.921967213114751,0.9687272727272696,1.4799999999999989,1.3616000000000004,1.0999999999999992,1.059753086419752,0.9202564102564103,0.9498507462686575,0.9219672131147546,0.9687272727272731,1.4799999999999962,1.3615999999999981,1.0999999999999992,1.0597530864197526,0.9202564102564091,0.9498507462686553,0.9219672131147522,0.9687272727272704,1.4800000000000009,1.3616000000000001,1.1000000000000019,1.059753086419755,0.9202564102564107,0.9498507462686567,0.9219672131147543,0.9687272727272729,1.8203303991317992,1.0462438200892326,0.9480887495478121,1.0610056376566293,0.8815938372492098,0.9589097800518697,0.8228349803211484,0.8760948445019355,377.6053057861151,188.80265289305743,302.04276136506746,377.60530578611485,15.104212231444595,188.80265289305743,-1.9895196601282805E-13,0.2598713596226743,0.010394854384906973,-3.3689213527200823,293.47407771344996,11.738963108537998,14.204473285296768,377.6053057861151,188.80265289305743,302.04276136506746,377.60530578611485,15.104212231444595,188.80265289305743,-1.9895196601282805E-13,0.2598713596226743,0.010394854384906973,-3.3689213527200823,293.47407771344996,11.738963108537998,14.204473285296768,377.6053057861151,188.80265289305743,302.04276136506746,377.60530578611485,15.104212231444595,188.80265289305743,-1.9895196601282805E-13,0.2598713596226743,0.010394854384906973,-3.3689213527200823,293.47407771344996,11.738963108537998,14.204473285296768,377.6053057861151,188.80265289305743,302.04276136506746,377.60530578611485,15.104212231444595,188.80265289305743,-1.9895196601282805E-13,0.2598713596226743,0.010394854384906973,-3.3689213527200823,293.47407771344996,11.738963108537998,14.204473285296768,377.6053057861151,188.80265289305743,302.04276136506746,377.60530578611485,15.104212231444595,188.80265289305743,-1.9895196601282805E-13,0.2598713596226743,0.010394854384906973,-3.3689213527200823,293.47407771344996,11.738963108537998,14.204473285296768,377.6053057861151,188.80265289305743,302.04276136506746,377.60530578611485,15.104212231444595,188.80265289305743,-1.9895196601282805E-13,0.2598713596226743,0.010394854384906973,-3.3689213527200823,293.47407771344996,11.738963108537998,14.204473285296768,413.99391274036736,206.81140081462797,330.29709984227384,413.6524905181449,16.54609962072579,206.81140081462797,-0.37111111111144623,0.21056155486897127,0.00842246219475885,-3.8949431160658685,344.6624549990447,13.78649819996179,14.606413866967626,0,11.889999999999997,12.1105196585791,-0.17050525663231564,0.05028317470824832,5.117481719664699,10.169036763534043,25.0,75.0,75.0,75.0,25.0,0.0,0.0,0.0,0.0,0.0,54.66034999999999,3.739965232599603,3.545059120146957,3.4662613262385413,3.3489938882009014,3.214310844105874,3.097135014941452,2.993212403030014,2.8706831310983367,2.050660696926484,1.9507853344513835,1.8911292304247653,1.802361000883175,1.6966669033841009,1.616535709288804,1.5512474150900846,1.4769256059239917,3.760319438126311,3.57292378418373,3.495327563775722,3.3797795078999515,3.246566535361219,3.1319115099320123,3.0310327448793073,2.9118858281473,2.003708932176873,1.892263078573987,1.8297731606465075,1.7367631962983887,1.6264032332585525,1.5409223359418396,1.4713716349932644,1.3903589404322112,3.8505998226052514,3.694475498113576,3.6224315532597666,3.5150550467408928,3.389543233421256,3.2859373999386055,3.198172957250326,3.0937781510327906,1.8688092787594588,1.7185609960786195,1.6476603974019413,1.5419948652868147,1.4182061002037276,1.3168004738277284,1.2315198174379596,1.1300248673086515,3.7753504622391474,3.5933978081433904,3.5167043051379596,3.40246266984327,3.270408225387062,3.1576080815202237,3.058971788091615,2.9423146219518803,1.97411391005005,1.8548688031027867,1.7905600390839485,1.6948154986872945,1.5814791163704687,1.492569291601305,1.4200061713452103,1.3346565394510075,3.895150047283463,3.753134842702733,3.6838911991085843,3.5807139197094515,3.4594805701311793,3.361238815876497,3.279415546621941,3.1820610215107648,1.8275855158201249,1.6638221325858131,1.5903396901074875,1.4808204825765734,1.3531966936811644,1.2467957923113102,1.1557963428002203,1.047695328646191,3.7664241888564463,3.6115556412641547,3.5452281848341354,3.4422156139579743,3.3260193942189593,3.244408328456309,3.138304657002978,3.0452132869364843,1.9707311427655794,1.8134995257426276,1.7412475205791806,1.6348909488510344,1.5099783401714029,1.3939361404338046,1.3164639904875515,1.2216998702224824,0,0,0,0,0,4,17,4,0,0.0,0.0,0.0,0.05555555555555555,0.20595037673258595,0.0,0.0,0.0,0.05555555555555555,0.20595037673258595,0.8737734478532143,0.0,0.2845177968644246,0.0,0.8737734478532143,0.0,0.2845177968644246,0.0,2.0449134498486816,2.4043323908463785,3.6122568734641165,2.0449134498486816,2.4043323908463785,3.6122568734641165,18.330216356929814,12.147065707741406,9.548205041062385,7.122715224444233,4.956789457560972,3.6986091467410165,2.274003828099423,1.3490449769636728,0.7332086542771925,0.48588262830965623,0.3292484496918064,0.2225848507638823,0.14578792522238151,0.09733181965107938,0.06890920691210373,0.049964628776432325,18.330216356929814,12.147065707741406,9.548205041062385,7.122715224444233,4.956789457560972,3.6986091467410165,2.274003828099423,1.3490449769636728,0.7332086542771925,0.48588262830965623,0.3292484496918064,0.2225848507638823,0.14578792522238151,0.09733181965107938,0.06890920691210373,0.049964628776432325,38.54569509464687,72.19592134013124,68.13725490196066,69.00000000000006,44.96386227544917,575.7063772455086,0.5139426012619582,0.9626122845350832,0.9084967320261421,0.9200000000000007,0.5995181636726556,7.676085029940115,9.176100000000002,115.14500000000011,219.22103471558887,340.2158663617729,438.44206943117774,17.537682777247113,219.22103471558887,0.005889705670059697,2.355882268023879E-4,-12.836373134236565,258.94470249668046,10.357788099867218,13.8915363375763,777,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,25.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,17.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.000000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.756811371669485,0.0,25.13936064110613,0.0,0.0,0.0,3.9371613205577187,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.302979325128974,0.0,1.373025575316883,0.0,0.0,0.0,0.9607320519404219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.510770654479339,0.0,1.5101765046296296,0.0,0.0,0.0,1.0310428467582715,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,38.833333333333336,1.5533333333333335,0.2,2.510770654479339,0.2,0.9607320519404219,18.005407902811402,0.3726012813929114,0.5107706544793392,3.5355189624747725,0.3726012813929114,0.5107706544793392,3.5355189624747725,12.5,0.5,0.0,0.0,0.43333,0.7,0.43333,0.43333,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.16,0.16,0.0,12.5,0.5,12.5,0.5,0.0,0.0,-12.5,-0.5,0.0,0.0,39.64147,1.58566,39.64147,0.0,0.0,12.14704,0.48588,12.14704,0.0,0.0,0.26696,0.01068,0.35296,0.01412,0.08,25.0,0,0,0,0,0,0,1.0,0.9182958340544896,1.326422986629321,2.4473683178115273,3.2114282839093957,3.491221905014517,3.806874271163717,68.87218755408672,99.48172399719907,183.55262383586455,240.85712129320467,261.84164287608877,285.51557033727875,0.14742696483614992,0.21294936528706754,0.3929105083032511,0.5155758167771828,0.5604950277877776,0.6111711482262857,5.310522856441391,4.90239570386656,3.781450372684353,3.0173904065864847,2.7375967854813634,2.4219444193321635,0.14742696483614992,0.21294936528706754,0.3929105083032511,0.5155758167771828,0.5604950277877776,0.6111711482262857,6.732876570223358,11.630402401121332,16.55188852831611,18.137069395638896,20.179947219600162,20.22296519658807,98.74687506009636,79.8326731062649,68.10773060947425,59.646913064453464,51.984883339252136,48.408045637144006,23.04,15.096313912009512,11.34375,16,0,16,4.21,3.522499999999995,0.6960119428147122,8.354564528358404,4.313136341148069,0.0,28.219137218380606,10.236790202613875,0.0,3.3019272488946267,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.143,0.14400000000000002,0.12100000000000002,0.188,11.693000000000001,29.0,32.0,34.0,38.0,33.0,27.0,25.0,24.0,23.0,315.0,3.258096538021482,3.4011973816621555,3.4965075614664802,3.5553480614894135,3.6635616461296463,3.5263605246161616,3.332204510175204,3.258096538021482,3.2188758248682006,3.1780538303479458,5.755742213586912,1.0,0.5,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,0.6,19.0,0.76,2,10.0,20.0,1.0,3.0,1.7777777777777786,0.875,0.8044444444444447,0.2569444444444445,0.18285714285714288,0.1371527777777778,0.10682791635172587,0.08562500000000005,0.07019691868176717,0.12,0.06130268199233719,0.03017241379310345,0.03351851851851853,0.012235449735449737,0.009624060150375941,0.0076195987654321,0.006283995079513286,0.005351562500000003,0.004679794578784478,0.32091672899970397,188.80265289305743,302.04276136506746,377.60530578611485,15.104212231444595,188.80265289305743,0.2598713596226743,0.010394854384906973,-3.3689213527200823,293.47407771344996,11.738963108537998,14.204473285296768,0.0,428.59961564667,5.643856189774724,4.6913478822291435,5.442417710521793,6.220590170099739,6.9985096422506015,7.790282380703483,8.585038738311304,9.388402871849754,10.195447959847472,11.008529128969142,120.32056648478243,3.9318256327243257,0.0,5.117993812416755,0.0,6.478509642208569,0.0,7.942717540573791,0.0,9.476620038167528,9.726511682066926,350.3912516000014,4.671883354666686,49.256635349483446,1.9702654139793379,0.0,0.0,0.0,2276.0,29.0,13.981000000000009,108.0,1.2415064939723226,2.139401789480958,2.8673120027423797,3.5675557018272084,4.59866638756558,5.5490431226778165,6.609615975954805,7.666181186292443,8.856229011504812,9.894294317647727,81.04432458270907,84.24416761924877,83.66923118586867,88.20564855669063,99.24961688688421,124.74362296299317,149.95018834048616,179.92718273188592,202.7406596170902,224.97245475980702,296.6840120777531,361.4412320040052,384.42455603455426,441.38575933273864,507.7726630580338,632.4815651218901,749.9355395675193,898.1586881567171,1017.5862018557091,1135.9873304390464,9.047819653902216,15.28604018320441,20.193867483863524,25.076060029179168,32.10468679933434,38.80670013411612,46.18639091170767,53.67875881416199,61.94447942354643,69.21732270878881,2.219323539059413,2.9357964030186925,3.2741423101459883,3.874238960456068,4.559878760826236,5.639786889051866,6.674437970504186,7.948445047162218,9.04386521203912,10.10926615871206,176.95153466896605,326.390567952298,459.499117117403,574.7698110803543,757.8226963327879,909.2791527161955,1086.186776208009,1251.2882245407484,1450.669440787396,1619.625251711168,2.3149850340508396,3.397437891423293,4.221289787205577,5.226412136109045,6.410668985623633,7.8125739293448175,9.179209161569652,10.817372037834215,12.409463923360207,13.903656253300136,0.4590524028594311,0.6168870781695696,0.6947807564000129,0.8260878950720418,0.9770875678023823,1.206736908606674,1.428036093633814,1.6983626916695946,1.9341252831808344,2.1622723274704247,779.0721738903636,1010.156377734383,19.89422053050616,83.46472097317543,-108.22157822150496,-4.748486755667479,695.6074529171882,1118.377955955888,24.64270728617364,0.9032334483658461,1.1711457025779735,0.023064776299979148,0.09676655163415392,-0.12546892644937416,-0.0055052563941844265,671.9784937419813,871.2971453776149,17.159499202113253,71.99140125885444,-93.34510403640849,-4.095745021534068,0.023235034693555045,0.050258474847507846,0.1876123940435292,0.45520164240737176,862.536894863539,0.0,1.0,0.0,1614.1087115494693,40.17597181835767,11.730348831631535,2098.4605156388516,45.80895671851577,12.80266162838581,3207.027750032374,56.630625548658514,14.74690579551165,2.7660868793761817,2.760605587849813,17653.996806666175,17417.148160267017,685.3887532835724,1.0135985894027972,25.757640057688572,25.4120717283799,10.33085141245787,11.837186512466081,23.263501479656522,0.965289763336673,14.483691187373282,23.638330256714145,16.905326950168973,87.16586200940499,48.978252669367414,18.34773212322786,32.83457619626881,31.890173240690594,71.34548522395067,22.404622603745135,16.705170689189966,66.81044296392689,17.843059469698265,70.52098896736774,9.901698566644223,15.831612271484572,31.977180321872495,20.373247872118025,65.57399878576895,14.703660083152567,15.533198048332453,23.041507893745866,19.482251637763714,52.8918522704494,12.261624728348515,18.304768204573566,16.226589284978107,16.50864296339977,35.13310535568077,12.052433384896963,1.1747189794505506,21.763012880050653,1.204085881552646,22.403816299316503,1.8322256791697145,4.234134819519848,3.8108959572182997,2.966781336622285,17.398285934097732,1.102338575441694,2.2229301855860713,5.193242693016663,2.170141801106755,14.470736578704235,1.302460316915067,1.6217352411595294,2.026107836737498,3.0878327042185165,11.220714398210037,1.8819495634814019,2.019553308643094,1.1030915067222407,4.412876255681547,7.733075694749723,1.450568269003382,2.3124535016483243,0.46569331484476784,3.4493804805600936,4.532113999899493,1.3494770194555104,3.8180111658357743,21.97696777960449,3.969738804857745,27.626257020467698,6.503978373338448,6.13948215467207,8.12140444459657,6.817968807894407,24.40675656313553,3.9629447578279504,3.9302981959756087,15.011954437035854,3.971049305910473,23.09666613619286,2.3351493628354314,3.2949010670702834,5.438048609538718,5.250081853556135,19.573873820280866,3.387317822199732,3.7533050284835308,3.2861459138080935,6.307575374521934,14.454040328308075,3.020290215245784,4.399557669765816,2.0092898448441767,5.204119266431496,8.85047324794185,2.76328864899326,13.642975662351272,23.463795606537396,15.788696624677296,80.37214704083429,44.34023925009834,17.138594509778528,30.48684294993527,29.393328971427813,66.62664040101308,20.574232823950734,15.376806249121115,62.06235518167295,16.38891338266786,66.09373580323907,9.11962784056073,14.52748986530006,29.187821038841445,18.83177590859608,61.276676117546565,13.52540040831538,14.343407647719468,20.886543189716914,18.141816953122234,49.24394225703942,11.37441412351403,16.90925166437605,14.669676097229074,15.386905608913045,32.5776878095317,11.124490739873004,5.654328343501442,22.173972417099225,5.99871161718982,33.58573612902542,11.181269156796837,7.737101021543252,11.559616903863114,10.071175447126217,30.40651542456653,6.368373561448612,5.473137292706276,22.57129919458555,5.622490898056824,29.8539643236041,3.2586125630281177,4.807909409766764,8.582433103313052,7.140013341139977,26.122065386964678,4.750827185803561,5.247717343155783,5.466190423849695,7.9589739002451605,19.8091544564328,4.287007016134157,6.181844551341806,3.565828649539166,6.679167920228976,12.387341382705173,3.962719191899895,17.625946396308205,24.352371374058766,21.21616464288993,115.53208054781344,68.13972912563888,23.21647470063545,42.17541739161117,41.95938083848517,90.42527317609388,29.779282616603158,22.12510529707241,85.49856662486212,23.78875866600146,88.04388081616506,13.087604846888501,21.15319648791773,43.3901342100617,26.629342919910922,82.5862462442618,19.51281489136362,20.35004193965772,31.94223571300867,24.9197700987153,67.40136698070076,15.802451832127641,23.944617875609076,22.663357761385697,21.027831997556763,45.369079222694005,15.797835099000169,9.50920223350914,21.403315472950418,9.952058713689956,49.41550180783292,23.313621397045267,11.641167957964381,19.242757706753224,18.415465849765592,44.696147091015945,12.552142445149883,9.648349030460176,38.59792417542236,9.900684496339988,43.56838838225029,5.620855590055584,8.457497379669478,16.061332732093668,11.448679211224555,39.530293529746515,8.371966355799007,8.757196026517551,11.14215039631719,11.856774289777245,31.352932536901285,7.382705916277977,10.320045888181067,7.538319115195376,9.882589810764985,20.381748322219224,6.6143035749637065,51.29702566223784,1.9056594818560333,1.1603547183159624,0.9436011266490629,0.03505432158832845,0.563039238099688,0.3345356413505657,0.35297884417541603,54.36303986240984,159.4886500782837,327.28177478958924,0.9154016899735945,1.2505537236256696,49.09984814918997,1.3166755695589472,0.6402499222163297,0.9616715794551276,0.025788460093814403,0.5158094911780926,0.15924345338955195,0.10694447776299418,51.05677364096524,96.92774591643925,189.37576180877238,0.9425073691826914,0.7819974223306387,49.97248641206531,1.5506042353356113,0.8468246191744138,0.9542212577143472,0.02960868329541239,0.5343195027125835,0.22111244122560797,0.1874662009048183,52.36991526657533,121.11857069697383,239.10685020465613,0.9313318865715209,0.9428981448430098,51.24262881490545,1.8910782435352251,1.1474789678390032,0.9440219082555944,0.03483855792354424,0.56184494211194,0.3294132455084215,0.3451502689744404,54.281186026279684,157.87363182629838,323.34991377202243,0.9160328623833915,1.236408456594802,50.36146121947459,1.6548744504918054,0.9389008672838812,0.9510194744206052,0.031250440158599194,0.5426755161794289,0.25197789576692553,0.2306475757974497,52.95523653725028,132.18007813500333,263.3850926021783,0.9265292116309077,1.0253009877438042,51.467327960150534,1.9513093313221748,1.2006650778562573,0.9422919321110115,0.03572563629845842,0.5667864742774213,0.35083002216520254,0.3780604329147866,54.61930236932896,164.56656960940165,339.76707763637313,0.9134378981665172,1.2956769293574104,51.33991822771454,1.8996251587105835,1.151971989905863,0.9438957137431699,0.034925027287201205,0.5639849321612527,0.3325464102621157,0.3484470874762719,54.391515376330986,158.8570630480503,325.5964902539859,0.9158435706147549,1.2449784298996402 +UMLCN0310,L,4-methyl-1-cyclohexene,CC1CCC=CC1,Cycloalkenes,,C7H12,Kubic (2016),Unknown,PubChem,,28,0,1.1748000000000003,1.3801550400000007,32.6229,20.321515999999992,0,0,19,7,12,0,7,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1022.0416150000001,1155.1339029999997,1426.5652879999986,1076.5760929999979,387.59330500000056,64.68537599999999,3.0481920000000002,0.0,0.0,3337.6232454164738,4341.457708691531,6098.843240731624,5827.549678016047,3265.869607191927,956.286376376958,93.25123329279079,0.0,0.0,133.40517999999997,138.195196,257.2228160000002,344.4917,303.6194920000001,135.965952,20.155392,0.0,0.0,24.857654858187985,32.88483172000001,49.47685224909404,52.23754715758407,33.94802020122499,11.567983717584006,1.3338387145469999,0.0,0.0,3106.5723169209887,2725.031065184801,5492.556810549296,7880.085548799187,7505.941515528427,3571.1726232395845,554.7529560727469,0.0,0.0,32.52777777777778,39.25,63.25,77.91666666666666,60.333333333333336,24.0,3.0,0.0,0.0,53.79166394736843,60.7965212105263,39.626813555555515,21.970940673469343,8.808938750000012,3.2342687999999997,1.016064,0.0,0.0,175.66438133770916,228.4977741416595,169.4123122425451,118.92958526563362,74.22430925436198,47.814318818847894,31.083744430930263,0.0,0.0,7.021325263157894,7.273431368421053,7.145078222222228,7.030442857142857,6.900443000000002,6.7982976,6.718464,0.0,0.0,1.3082976241151572,1.7307806168421056,1.3743570069192788,1.0660723909711034,0.7715459136642043,0.5783991858792004,0.44461290484899996,0.0,0.0,163.50380615373624,143.42268764130532,152.57102251525822,160.8180724244732,170.58957989837333,178.55863116197924,184.91765202424895,0.0,0.0,1.7119883040935673,2.0657894736842106,1.7569444444444444,1.5901360544217684,1.3712121212121213,1.2,1.0,0.0,0.0,0.039582688614417535,-0.0013411455910319293,-0.015546465516596641,-0.012327221987711905,-0.0017427912919179627,0.007197648835531894,0.0039686312445177665,0.0,0.0,535.2391976842101,4.760636329592671E-13,-134.8158881385036,-284.38774413296426,-47.9568955318567,150.24258180609374,49.29834715512456,0.0,0.0,995.3001436260373,-8.526512829121202E-14,-250.69590083813705,-528.8311540068161,-89.1778950742619,279.3824964564316,91.67238164976659,0.0,0.0,0.10484968421052614,1.5074747006238454E-15,-0.02640950692520628,-0.05570960664819926,-0.00939442659279939,0.029431490304707746,0.009657207756232397,0.0,0.0,4.449454733016631,4.052314039881821E-15,-1.1207273199703507,-2.364121311778259,-0.39866668347204515,1.2489697496186993,0.40981819909363626,0.0,0.0,24.169508727879766,7.993605777301127E-14,-6.087808589353095,-12.84194448699374,-2.1655637519341617,6.784423502562673,2.2261389617783847,0.0,0.0,2.6315789473684217,-0.2631578947368415,-0.5256232686980602,-0.9445983379501379,-0.053247152970144734,0.2767005232379187,0.1941366574330562,0.0,0.0,0.0020832994007588175,-7.058661005431207E-5,-4.318462643499067E-4,-2.51575958932896E-4,-3.960889299813552E-5,3.598824417765947E-4,0.001322877081505922,0.0,0.0,28.170484088642638,2.505598068206669E-14,-3.7448857816250998,-5.803831512917638,-1.0899294439058342,7.512129090304687,16.43278238504152,0.0,0.0,52.38421808558091,-4.487638331116422E-15,-6.963775023281585,-10.792472530751349,-2.0267703425968615,13.96912482282158,30.557460549922197,0.0,0.0,0.005518404432132955,7.934077371704449E-17,-7.335974145890633E-4,-0.0011369307479224338,-2.1350969529089524E-4,0.0014715745152353874,0.003219069252077466,0.0,0.0,0.23418182805350687,2.1327968630956954E-16,-0.031131314443620852,-0.04824737370976039,-0.009060606442546481,0.06244848748093497,0.13660606636454542,0.0,0.0,1.272079406730514,4.2071609354216455E-15,-0.1691057941486971,-0.2620804997345661,-0.04921735799850368,0.33922117512813366,0.7420463205927949,0.0,0.0,0.13850415512465378,-0.01385041551246534,-0.014600646352723894,-0.019277517101023222,-0.0012101625675032895,0.013835026161895936,0.06471221914435206,0.0,0.0,-0.03388212468577571,-0.20728958314518392,-0.12075842715706749,-0.01901257830905555,0.17274638568297562,0.6349913416305307,0.0,0.0,8.894408986094914E-16,-0.1329365079365075,-0.2060252672497574,-0.03869047619047682,0.2666666666666661,0.5833333333333327,0.0,0.0,-8.566775443292668E-17,-0.13293650793650785,-0.20602526724975675,-0.03869047619047583,0.2666666666666667,0.5833333333333333,0.0,0.0,1.4377484414707525E-14,-0.13293650793650072,-0.2060252672497567,-0.038690476190482874,0.2666666666666545,0.5833333333333168,0.0,0.0,9.107439637068615E-16,-0.1329365079365075,-0.20602526724975698,-0.03869047619047655,0.26666666666666583,0.5833333333333323,0.0,0.0,3.307309994298901E-15,-0.13293650793650622,-0.20602526724975673,-0.03869047619047749,0.266666666666664,0.5833333333333295,0.0,0.0,-0.09999999999999973,-0.10541666666666648,-0.13918367346938762,-0.008737373737373747,0.09988888888888864,0.46722222222222176,0.0,0.0,1.2295971267299304,1.2308911150245396,1.0761313497543785,0.8353662123539712,0.6533439500126942,0.25738198981825094,0.0,0.0,1.2857142857142871,1.2440476190476208,1.1632653061224507,0.8327922077922089,0.4071428571428575,0.0,0.0,0.0,1.2857142857142854,1.2440476190476182,1.163265306122448,0.8327922077922073,0.4071428571428571,0.0,0.0,0.0,1.2857142857142863,1.2440476190476193,1.1632653061224492,0.832792207792208,0.40714285714285736,0.0,0.0,0.0,1.2857142857142863,1.2440476190476195,1.1632653061224494,0.8327922077922081,0.4071428571428572,0.0,0.0,0.0,1.2857142857142856,1.2440476190476195,1.163265306122449,0.8327922077922081,0.40714285714285714,0.0,0.0,0.0,1.3699999999999994,1.0924999999999996,1.101224489795918,0.8636363636363634,0.6839999999999998,0.0,0.0,0.0,24.614894999907104,11.746590831400926,17.708148531595356,24.614894999907104,3.516413571415301,11.74662459528154,-7.105427357601002E-15,0.0715247864386834,0.01021782663409763,-1.8463978581145903,35.36741839313211,5.052488341876016,2.4960537083658147,24.614894999907104,11.746590831400926,17.708148531595356,24.614894999907104,3.516413571415301,11.74662459528154,-7.105427357601002E-15,0.0715247864386834,0.01021782663409763,-1.8463978581145903,35.36741839313211,5.052488341876016,2.4960537083658147,24.614894999907104,11.746590831400926,17.708148531595356,24.614894999907104,3.516413571415301,11.74662459528154,-7.105427357601002E-15,0.0715247864386834,0.01021782663409763,-1.8463978581145903,35.36741839313211,5.052488341876016,2.4960537083658147,24.614894999907104,11.746590831400926,17.708148531595356,24.614894999907104,3.516413571415301,11.74662459528154,-7.105427357601002E-15,0.0715247864386834,0.01021782663409763,-1.8463978581145903,35.36741839313211,5.052488341876016,2.4960537083658147,24.614894999907104,11.746590831400926,17.708148531595356,24.614894999907104,3.516413571415301,11.74662459528154,-7.105427357601002E-15,0.0715247864386834,0.01021782663409763,-1.8463978581145903,35.36741839313211,5.052488341876016,2.4960537083658147,24.614894999907104,11.746590831400926,17.708148531595356,24.614894999907104,3.516413571415301,11.74662459528154,-7.105427357601002E-15,0.0715247864386834,0.01021782663409763,-1.8463978581145903,35.36741839313211,5.052488341876016,2.4960537083658147,31.651223946582558,14.114466795493847,21.524007308493825,31.62486340236487,4.517837628909268,14.114471197081564,-0.18452380952381908,0.11956552162256627,0.017080788803223754,-1.4867235318419831,63.088477877101354,9.012639696728765,2.9011767063137373,0,11.900000000000004,12.100104053883227,-0.16370326675949093,0.04396943559486548,5.88255772870531,7.8956324281809565,7.0,19.0,18.0,18.0,6.0,1.0,1.0,0.0,0.0,1.0,13.118483999999997,3.654070867987889,2.9618787171815617,2.6927977613517577,2.163971156692493,1.4072119105274667,1.0101544344041637,0.7328698976161665,0.08392307051869156,1.9795135557404242,1.4846677700325641,1.3014555618364891,1.029156197533244,0.608611648811393,0.37443132690013436,0.2576571912764134,0.08392307051869125,3.67527800327324,2.994425545312118,2.7343975714807556,2.2308036582018693,1.505105098051239,1.1255954943408064,0.8722756801913574,0.27091390189293785,1.930224776254298,1.4050001083076906,1.2151683112088265,0.9193648402269987,0.4649411059908872,0.21677139891670916,0.09001319669540876,0.270913901892937,3.769623985387386,3.14363749363067,2.9179249894034007,2.5111210003494957,1.9080606398776285,1.5927921409578343,1.410310711942495,0.9439184268026228,1.788696955293167,1.1744442500175756,0.9544099191195768,0.5640907817954549,0.01759691680281142,0.3225378152703772,0.49546520022202817,0.9439184268026215,3.69095591884058,3.018755894758438,2.7651259917882047,2.2793916205127847,1.5759462444134456,1.208716372041339,0.9707752745426923,0.39927724550898264,1.8991562151303316,1.3544353609319124,1.159556104337449,0.846730740274501,0.36852191376368254,0.11028917945500602,0.02396291555827121,0.3992772455089817,3.816305300942083,3.2192668913719755,3.006713028161216,2.6385285566389918,2.0858167298651415,1.7944851244769844,1.6335495255348376,1.2076448229620884,1.7455361593968308,1.1049783410582088,0.8714845009482247,0.44240816851565584,0.18929201364784135,0.5187995231737608,0.7151642368406995,1.2076448229620873,3.7144470737514648,3.1164249553063192,2.772082749388683,2.3823348150361414,1.665742727261969,1.310427982668233,1.1443917896690077,0.5915492957746489,1.8905135126511525,1.245821259239415,1.1033367818773065,0.7200133078163468,0.23458764845625116,0.017476480932551223,0.21178900644865303,0.5915492957746479,0,0,0,2,0,1,3,1,0,0.0,0.0,0.0,0.10206207261596577,0.10206207261596577,0.0,0.0,0.0,0.06804138174397717,0.06804138174397717,0.2886751345948129,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.3707908118985982,0.3319273052604535,0.2721655269759087,5.112884175122364,3.393846850117352,2.7431821564919865,1.893846850117352,1.3067128222475324,0.9010475702906074,0.20412414523193154,0.0,0.7304120250174806,0.48483526430247886,0.3428977695614983,0.236730856264669,0.16333910278094155,0.11263094628632593,0.10206207261596577,0.0,4.8533711511285205,3.0436767643784117,2.3896287658987125,1.5312509703768815,0.9449779553427077,0.6006983801937383,0.13608276348795434,0.0,0.6933387358755029,0.4348109663397731,0.29870359573733907,0.1914063712971102,0.11812224441783846,0.07508729752421729,0.06804138174397717,0.0,10.250966822715249,18.32702112163146,17.352941176470594,17.560000000000006,11.79132694610778,144.91222514970062,0.539524569616592,0.9645800590332347,0.9133126934984523,0.9242105263157898,0.6205961550583042,7.626959218405296,2.2887900000000005,31.884999999999984,25.811642861587288,34.91599912277318,51.623285723174575,7.374755103310654,25.811642861597285,0.0633099150090713,0.00904427357272447,-1.9317993288185376,26.809138241687002,3.8298768916695716,2.3021199659948364,45,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,5.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,3.0,0.0,2.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.563657407407407,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.607013888888889,0.0,0.0,1.2929861111111114,0.5805555555555556,0.0,0.607013888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3090277777777777,0.0,4.011574074074074,0.0,4.563657407407407,0.0,0.949074074074074,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2777777777777777,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3006944444444445,0.0,0.0,0.22562500000000002,0.2902777777777778,0.0,0.3006944444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3090277777777777,0.0,1.3055555555555556,0.0,2.2777777777777777,0.0,0.949074074074074,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2858796296296298,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3063194444444445,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.3063194444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3090277777777777,0.0,1.3993055555555556,0.0,2.2858796296296298,0.0,0.949074074074074,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.833333333333332,1.6904761904761902,0.3063194444444445,2.3090277777777777,0.22562500000000002,0.949074074074074,4.612259259259259,0.3842592592592593,0.3090277777777778,1.7453703703703705,0.3842592592592593,0.3090277777777778,1.7453703703703705,3.5,0.5,0.0,0.0,0.44737,0.7,0.43333,0.43333,0.7,0.01404,0.01404,-0.0,0.0,0.71429,0.0,0.0,0.14286,0.14286,0.0,4.5,0.64286,3.5,0.5,1.0,0.14286,-2.5,-0.35714,0.0,0.0,5.59495,0.79928,6.62679,1.03183,0.1474,2.85095,0.40728,3.39384,0.54289,0.07756,0.02016,0.00288,0.10616,0.01517,0.3157894736842105,7.0,0,0,0,0,0,0,0.7142857142857143,0.9494520153879485,2.1837548319239213,3.2608281712244565,3.576617644908667,3.5766176449086675,3.431623565847432,18.039588292371022,41.4913418065545,61.95573525326467,67.95573525326468,67.95573525326468,65.20084775110121,0.22350946723624165,0.5140753520423561,0.7676280164632715,0.8419676733158942,0.8419676733158943,0.8078347747194924,3.2984754980556366,2.064172681519664,0.9870993422191288,0.6713098685349181,0.6713098685349177,0.8163039475961531,0.2196825108013957,0.5052732909895471,0.7544845956789199,0.8275513998346333,0.8275513998346334,0.7940029289027,6.790838447282358,17.08973949294659,19.332312014856655,20.80764360054086,19.650572551277705,19.504443888908003,27.315542299974126,17.78709830508807,15.555418877712901,13.610232021456493,14.79335176537417,15.147406899441746,5.142857142857143,2.34375,1.5,0,2,0,2.23,0.943300000000001,0.0,1.8505358624357668,1.0,0.0,6.083643418932058,3.041821709466029,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.11099999999999999,0.108,0.338,0.369,3.335,8.0,8.0,8.0,8.0,2.0,0.0,0.0,0.0,0.0,48.0,2.1972245773362196,2.3978952727983707,2.4849066497880004,2.6390573296152584,2.772588722239781,1.6094379124341003,0.0,0.0,0.0,0.0,4.23410650459726,1.4166666666666667,0.25,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.14285714285714285,0,3.0,4.0,0.3333333333333333,1.0,0.44444444444444464,0.1875,0.1111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.14285714285714285,0.05555555555555558,0.0375,0.1111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.3470238095238095,12.17044963408896,17.878314744586095,24.340899268177914,3.4772713240254167,12.170468520160025,0.011449771148558163,0.0016356815926511661,-3.128849875344984,28.150736082299947,4.02153372604285,2.3363014519710363,0.0,114.6354336802668,3.807354922057604,3.4339872044851463,4.143134726391533,4.890349128221754,5.616771097666572,6.368187186350492,7.099201743553092,7.851271997109883,8.583542571957771,9.335650562941629,71.32209621867786,2.70805020110221,0.0,3.8501476017100584,0.0,5.209486152841421,0.0,6.652863029353347,0.0,8.12415060330663,8.388905171114706,96.093900384,5.057573704421053,13.676825320436386,1.9538321886337695,0.0,0.0,0.0,42.0,5.0,3.406,30.0,1.2810515879336044,2.254808579266141,3.0669049486752153,3.825986133326333,4.854014818855935,6.014823744123251,0.0,0.0,0.0,0.0,92.0772779227904,101.2570853003855,73.58629284775199,37.30757680412661,16.257746247968267,6.111445872748846,0.0,0.0,0.0,0.0,325.8807487305777,413.9643752217264,385.30684237732765,300.7005660425192,236.30427327719045,186.9632440594182,0.0,0.0,0.0,0.0,9.363058969954542,16.175043977943815,21.619763203000076,26.464794510242324,33.01913988319403,40.41037679123727,0.0,0.0,0.0,0.0,2.3971541388996087,3.2878538093401577,3.4036979838802255,3.0735421041634496,2.841246425046809,2.6742682570293765,0.0,0.0,0.0,0.0,180.9041875636136,339.5181963574342,488.8692344745956,647.7037829841738,865.1250012656353,1112.2470841029735,0.0,0.0,0.0,0.0,2.727837358858924,4.0941292594373655,5.015200031315374,5.4028126092479605,5.8751790084801065,6.014823744123251,0.0,0.0,0.0,0.0,0.4942983603179161,0.6880444582445369,0.7259380164969986,0.6718372361457315,0.6375633099431337,0.6159179513982208,0.0,0.0,0.0,0.0,270.4862841854068,105.84310658820917,9.04809441937104,55.88425364330549,-21.867885215637934,-4.351249479319139,214.60203054210132,127.7109918038471,13.39934389869018,0.8287705317548149,0.3243034965483262,0.027723379933637618,0.17122946824518515,-0.0670032453331151,-0.013332237365134923,88.27875404488115,34.54407162265555,2.9530314419750967,18.23897391772179,-7.137033459004299,-1.4201196327922918,0.14542104541651327,0.22466878640221125,4.272191120656654,6.210601184122446,326.3705378287123,0.0,1.0,0.0,423.29764760753926,20.574198589678755,7.5084210456009846,539.966705176202,23.23718367565661,8.14308548327775,663.7349019096421,25.763053039374856,8.72298016767741,1.8569858704949662,1.816687251586763,331.2996917495668,245.15105999259774,115.30647057979814,1.3514103987948096,2.8732098908559514,2.126082419832114,3.712701801323993,3.9956986185102115,6.2813681634514245,0.5720325187572382,3.5102687050084085,3.212110537436064,3.847999538733817,12.275485283034513,11.460192222925619,7.2158655261792655,8.417714682051976,6.010222337792152,1.0620519563288866,0.7720106451751232,1.41413764387646,0.008396133092798276,3.7295421895812895E-23,3.1952832550820925E-65,5.280063036610837E-129,1.6828474780127761E-214,1.033E-321,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2947257308684245,3.211922924888005,0.40382824345284446,4.582254275664597,4.072561610330273,0.5014432336152259,0.4389134902673991,1.2519048421705037,0.06057945827256172,0.044526009091047807,0.009959890120788843,5.913465188479532E-5,2.626747058830188E-25,2.2504641228789877E-67,3.7187915692710276E-131,1.1852432386147998E-216,4.9E-324,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9510866048339983,3.211935885926177,1.0700362293947825,5.675642513939221,5.038610213875222,1.6872898462841621,1.521723704039811,1.8343493025103719,0.2143710773150401,0.15708757928984732,0.10378971008877388,6.162286656958213E-4,2.737272958563816E-24,2.3451571277358098E-66,3.875267535517492E-130,1.2351148373706542E-215,7.4E-323,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.313415468265887,3.2120900893588242,3.624123859774835,11.635777050759573,10.816211903749233,6.739469081657696,7.736160481358984,5.581366523739841,0.9828312158084662,0.7147624561609561,1.2599711833190295,0.0074808034255446024,3.3229549459457514E-23,2.84693985386038E-65,4.7044411057811684E-129,1.4993868056933543E-214,9.2E-322,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4016577680390323,3.2119523056642705,1.5382999847467258,6.567839813505038,5.862680838415097,2.5561806291148677,2.4271081493377764,2.3496307174853373,0.3349773772182432,0.24502698430515402,0.22544511183310934,0.0013385310064498047,5.9457226385551186E-24,5.093994656880552E-66,8.417598926076145E-130,2.682834470999584E-215,1.63E-322,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.239127636070383,3.2121964237891443,4.691700432668143,14.835621878261346,14.06223931938548,9.053940703306345,11.160451063124889,7.754265789313781,1.3757076502331662,0.9984085572643032,2.062386840708137,0.012244971034052221,5.439186775263259E-23,4.660020329791163E-65,7.700475710267887E-129,2.454274890028755E-214,1.507E-321,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.098951041156323,2.8163378469034974,2.4976745067031483,7.628706237568709,7.30872184851022,3.6913666662078173,3.9366469811793756,3.6980528657352045,0.6133338944865464,0.44806797443775326,0.4948500047973986,0.002938063633345797,1.3050808217459625E-23,1.1181272886262276E-65,1.847655464507344E-129,5.888797760790594E-215,3.6E-322,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1847284252934704,1.6653686166132742,0.5274614007925761,0.592225720878426,0.30968861321706537,0.48546248047492363,0.4890829041295238,0.3385608099873503,5.37755844269932,7.861985751624019,16.037065896089345,0.3883385813176389,1.3131061945917977,2.434727222997763,1.049294510483524,0.15188741533861264,0.6696336798701359,0.28859205979447855,0.282368261565094,0.1935653952166342,0.02786490761679396,3.6359091488199,3.083924965698373,7.107867867576792,0.5044505198052038,0.5037985643985221,2.717706475592419,1.283057413928272,0.2940730849194411,0.6327845484627957,0.29874414827946505,0.3522971229836293,0.28996004846060486,0.10482863939255492,4.294836974440132,4.663490421415379,9.983752433091222,0.4491768226941937,0.7470858108367892,3.16458731595717,1.648962796678068,0.5174249426328006,0.5936226080874161,0.3093172974142081,0.4792576869885001,0.4794905992065413,0.3257567086669829,5.330975055268038,7.7089376417430735,15.73998441971256,0.39043391213112405,1.2845049948620244,2.849953644424966,1.391735846965926,0.3603111695508101,0.6192857964174615,0.3024197407831612,0.38774561052411766,0.341353014322011,0.1575769548286514,4.602000660941702,5.494710750651842,11.525843382790281,0.4289286946261922,0.8866755796747801,3.2483471636965753,1.7171434005036292,0.5591474416416861,0.5879746619166163,0.3108155500302244,0.5053369435400379,0.5199664200441053,0.3806094007248854,5.524638005841891,8.354319240154734,16.997813400600158,0.38196199287492455,1.4059127643090288,3.180679358739046,1.6484124792028112,0.5179258874153813,0.5948510968376381,0.3082863315349641,0.4840194172218777,0.47921666256936124,0.326421148873892,5.347017725357238,7.744183222864649,15.806723432133484,0.39227664525645717,1.2896572286651309 +UMLCN0311,L,1-heptyne,CCCCCC#C,Alkynes,,C7H12,NREL (2014),IQT,PubChem,,22,0,0.014599999999999724,2.1315999999999195E-4,27.263099999999998,20.321515999999992,0,0,19,7,12,0,7,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1022.0416150000001,1010.8697819999998,970.5748129999996,813.27322,618.5486190000001,421.7918900000001,225.03516100000002,50.46048,3.0481920000000002,3337.6232454164738,3917.940806942203,4629.903047173531,4318.8341014234,3374.203245330138,2367.4049003750115,1360.606555419883,521.113954343935,93.25123329279079,133.40517999999997,130.65467999999998,227.08446800000016,279.2117920000002,229.76382000000018,166.87892000000005,103.99401999999998,41.907455999999996,20.155392,24.857654858187985,30.095931720000003,39.327676533943034,39.20242986728205,31.07012681758399,22.048597958187983,13.027069098792003,5.343403049698001,1.3338387145469999,3106.5723169209887,2598.2367090948005,4990.846298877744,6591.901019628684,5482.781168638585,4003.8260135999885,2524.870858561392,982.325494900098,554.7529560727469,47.25,45.5,58.25,68.0,57.75,46.0,33.0,16.0,3.0,53.79166394736843,56.15943233333332,30.330462906249988,20.331830500000002,18.74389754545455,17.574662083333337,15.002344066666668,8.410079999999999,1.016064,175.66438133770916,217.66337816345572,144.68447022417286,107.97085253558501,102.24858319182236,98.64187084895882,90.70710369465887,86.85232572398917,31.083744430930263,7.021325263157894,7.258593333333333,7.096389625000005,6.980294800000005,6.962540000000005,6.953288333333336,6.932934666666665,6.984576,6.718464,1.3082976241151572,1.671996206666667,1.2289898916857198,0.9800607466820512,0.9415189944722421,0.9186915815911659,0.8684712732528002,0.8905671749496668,0.44461290484899996,163.50380615373624,144.34648383860002,155.9639468399295,164.79752549071708,166.14488389813894,166.82608389999953,168.32472390409282,163.720915816683,184.91765202424895,2.486842105263158,2.5277777777777777,1.8203125,1.7,1.75,1.9166666666666667,2.2,2.6666666666666665,1.0,0.06192637390033864,-0.006407150962345228,-0.02854942856351641,-0.003813259460637841,0.004376095718838963,0.005376711953058222,-6.343442671065624E-4,-0.009823469032845804,0.008511657664385336,535.2391976842101,-48.292258437672686,-206.91891288919638,-18.109596914127593,13.41451623268685,12.073064609418168,10.731612986149486,-79.81637158448754,49.29834715512456,995.3001436260373,-89.80151671813874,-384.774554271469,-33.675568769301606,24.94486575503882,22.450379179534863,19.955892604030893,-148.42195124247917,91.67238164976659,0.10484968421052614,-0.009460121883655151,-0.04053399445983293,-0.00354754570637161,0.00262781163434849,0.0023650304709136585,0.0021022493074788337,-0.01563547922437677,0.009657207756232397,4.449454733016631,-0.4014545623774366,-1.720121284631114,-0.15054546089154153,0.11151515621595376,0.10036364059435843,0.08921212497276332,-0.6635151794849364,0.40981819909363626,24.169508727879766,-2.180707554395095,-9.3437261184848,-0.8177653328982051,0.6057520984430775,0.5451768885987702,0.4846016787544629,-3.604224985736458,2.2261389617783847,10.289473684210524,1.0152354570637123,-0.8427977839335181,-0.6357340720221604,-0.7922437673130192,-0.7603878116343485,-0.583795013850415,-3.0124653739612186,0.4674515235457062,0.003259282836859928,-3.5595283124140154E-4,-8.921696426098878E-4,-9.533148651594603E-5,1.3260896117693827E-4,2.2402966471075925E-4,-4.2289617807104155E-5,-0.001637244838807634,0.0028372192214617784,28.170484088642638,-2.6829032465373714,-6.466216027787387,-0.4527399228531898,0.4065004918996015,0.503044358725757,0.715440865743299,-13.30272859741459,16.43278238504152,52.38421808558091,-4.988973151007708,-12.024204820983407,-0.8418892192325401,0.7559050228799642,0.9354324658139527,1.3303928402687262,-24.73699187374653,30.557460549922197,0.005518404432132955,-5.255623268697306E-4,-0.0012666873268697791,-8.868864265929025E-5,7.963065558631788E-5,9.854293628806911E-5,1.4014995383192225E-4,-0.0026059132040627954,0.003219069252077466,0.23418182805350687,-0.022303031243190923,-0.05375379014472231,-0.0037636365222885383,0.0033792471580592048,0.0041818183580982675,0.005947474998184221,-0.11058586324748941,0.13660606636454542,1.272079406730514,-0.1211504196886164,-0.29199144120265,-0.02044413332245513,0.018356124195244773,0.022715703691615425,0.03230677858363086,-0.6007041642894096,0.7420463205927949,0.541551246537396,0.05640196983687291,-0.02633743074792244,-0.01589335180055401,-0.024007386888273308,-0.031682825484764525,-0.038919667590027664,-0.5020775623268697,0.15581717451523538,-0.10921201045084357,-0.2737318874324591,-0.02924922177290716,0.04068654603314419,0.06873587716204306,-0.012975129782798167,-0.5023328507399484,0.8705041456896769,-0.09523809523809443,-0.22953869047619033,-0.016071428571428733,0.0144300144300143,0.017857142857142703,0.02539682539682518,-0.47222222222222265,0.5833333333333327,-0.09523809523809529,-0.2295386904761903,-0.016071428571428376,0.014430014430014597,0.017857142857143005,0.025396825396825484,-0.472222222222222,0.5833333333333333,-0.09523809523808173,-0.22953869047618597,-0.016071428571430495,0.014430014430011486,0.01785714285713935,0.02539682539682072,-0.47222222222222426,0.5833333333333168,-0.09523809523809434,-0.22953869047619022,-0.01607142857142872,0.014430014430014184,0.01785714285714256,0.025396825396825053,-0.47222222222222243,0.5833333333333323,-0.09523809523809211,-0.22953869047618936,-0.016071428571428917,0.01443001443001385,0.017857142857142155,0.025396825396824422,-0.4722222222222225,0.5833333333333295,0.10414890593918735,-0.04863331202046038,-0.029347826086956515,-0.044330775788576304,-0.05850383631713554,-0.07186700767263422,-0.9271099744245526,0.28772378516624036,1.1014184031947745,0.9911333205715648,0.6877450719739043,0.802627455004551,0.9480412911778311,1.4360776291461659,2.7967049178021752,1.4624362192747187,1.3571428571428588,1.2723214285714302,0.9160714285714299,0.8636363636363646,0.8482142857142865,0.8142857142857148,1.357142857142858,0.0,1.3571428571428568,1.2723214285714277,0.9160714285714281,0.8636363636363633,0.8482142857142855,0.8142857142857142,1.3571428571428568,0.0,1.3571428571428577,1.2723214285714288,0.9160714285714289,0.8636363636363639,0.848214285714286,0.8142857142857147,1.3571428571428579,0.0,1.3571428571428577,1.272321428571429,0.916071428571429,0.863636363636364,0.848214285714286,0.8142857142857145,1.3571428571428574,0.0,1.357142857142857,1.272321428571429,0.9160714285714288,0.8636363636363636,0.8482142857142857,0.8142857142857142,1.3571428571428572,0.0,0.8503836317135552,0.546675191815857,0.7653452685421998,0.9011857707509885,1.1662404092071614,1.6910485933503843,4.081841432225065,0.0,30.66812542342246,15.33406271171123,25.126461121422818,30.66812542342246,4.381160774774637,15.334063410415533,0.0,0.0852967384983595,0.0121852483569085,-1.7231333426115614,33.239905210612946,4.748557887230421,2.452625782821833,30.66812542342246,15.33406271171123,25.126461121422818,30.66812542342246,4.381160774774637,15.334063410415533,0.0,0.0852967384983595,0.0121852483569085,-1.7231333426115614,33.239905210612946,4.748557887230421,2.452625782821833,30.66812542342246,15.33406271171123,25.126461121422818,30.66812542342246,4.381160774774637,15.334063410415533,0.0,0.0852967384983595,0.0121852483569085,-1.7231333426115614,33.239905210612946,4.748557887230421,2.452625782821833,30.66812542342246,15.33406271171123,25.126461121422818,30.66812542342246,4.381160774774637,15.334063410415533,0.0,0.0852967384983595,0.0121852483569085,-1.7231333426115614,33.239905210612946,4.748557887230421,2.452625782821833,30.66812542342246,15.33406271171123,25.126461121422818,30.66812542342246,4.381160774774637,15.334063410415533,0.0,0.0852967384983595,0.0121852483569085,-1.7231333426115614,33.239905210612946,4.748557887230421,2.452625782821833,30.66812542342246,15.33406271171123,25.126461121422818,30.66812542342246,4.381160774774637,15.334063410415533,0.0,0.0852967384983595,0.0121852483569085,-1.7231333426115614,33.239905210612946,4.748557887230421,2.452625782821833,51.42472302504525,25.078279452629577,42.18713201948276,51.03645771892282,7.290922531274688,25.078279452666543,-0.9059523809523675,0.14809190422682972,0.02115598631811853,-1.3369455564061126,24.256168953728135,3.4651669933897336,2.232069682413439,0,11.689999999999998,12.310032676249222,-0.4229835702190088,0.1972061588615569,4.28235246731167,6.884268044847059,6.0,18.0,17.0,17.0,5.0,0.0,0.0,1.0,0.0,1.0,13.118483999999997,3.4853796629473153,3.1855098171930054,2.6834018888411406,2.0802103173251405,1.529780901762389,1.1730898372565182,0.309280162718223,0.08392307051869154,1.8760853842914882,1.6126526779221853,1.2680568563059698,0.9493086428697878,0.6971574173046549,0.5398531862375076,0.0839230705186909,0.08392307051869105,3.5093511273028515,3.2124067456461893,2.7253986770220004,2.146470616036261,1.6252776426315845,1.2932228327103632,0.4437985151686476,0.2709139018929376,1.8157649765041708,1.5456452310370488,1.187362169175826,0.8392757512770154,0.5576021332756288,0.3847924838905779,0.270913901892937,0.2709139018929371,3.6200019953368137,3.332995998430004,2.9061754560315696,2.4274055026909434,2.016906152487541,1.7668924196869482,0.9563858383829681,0.943918426802623,1.6429537650786328,1.3577050201897622,0.9413141438771538,0.48084597242799104,0.08906476451878298,0.14863086386126043,0.9439184268026216,0.9439184268026217,3.527318830975517,3.2323143707264537,2.7561696156765163,2.1948507078192336,1.6942573222004784,1.3787654864893362,0.538809312607991,0.39927724550898225,1.7776743949575902,1.503736249520736,1.135358624071605,0.7661967684565333,0.46394643188573903,0.27990970454942626,0.3992772455089817,0.3992772455089818,3.6763994991244737,3.393730401940161,2.991295154007409,2.556023816841718,2.1894427899521314,1.9677011631117591,1.2076448229620889,1.2076448229620889,1.5912434869536205,1.3019801081421074,0.8610895272793316,0.35819961611698375,0.07760083526224494,0.34493257626993495,1.1612554397547394,1.2076448229620873,3.7400834383830652,3.2339626323047552,2.7704562644448703,2.1829719272323436,1.6710308962856153,1.3640018376784853,0.6667634877272743,0.4827586206896556,1.9084403922380029,1.515209036654214,1.038056452306892,0.6326542337248454,0.3863994043013877,0.2519592406931226,0.4827586206896549,0.48275862068965497,1,1,0,0,0,1,4,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.535533905932738,3.414213562373095,2.060660171779821,1.2071067811865475,0.6767766952966369,0.35355339059327373,0.17677669529663687,0.0,0.7907905579903911,0.5690355937288492,0.4121320343559642,0.30177669529663687,0.22559223176554563,0.17677669529663687,0.17677669529663687,0.0,4.905777393935816,2.849335306374634,1.661230926418479,0.924667653187317,0.4770620726159658,0.19716878364870322,0.07216878364870323,0.0,0.7008253419908309,0.4748892177291057,0.3322461852836958,0.23116691329682926,0.15902069087198858,0.09858439182435161,0.07216878364870323,0.0,10.250966822715249,18.32702112163146,17.352941176470594,17.560000000000006,11.79132694610778,144.91222514970062,0.539524569616592,0.9645800590332347,0.9133126934984523,0.9242105263157898,0.6205961550583042,7.626959218405296,2.27949,32.329999999999984,16.625382301558535,26.723216980603148,33.25076460311708,4.750109229016725,16.625382474771918,3.3306690738754696E-16,4.7580986769649563E-17,-24.9467317967063,2000010.7099194438,285715.8157027777,10.156064165428724,54,1.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,5.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,4.0,1.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5691014739229026,0.0,0.0,7.621788548752835,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5691014739229026,0.0,0.0,0.0,0.0,1.3765929705215418,0.38055555555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1771003401360542,0.0,4.7011111111111115,5.019288548752835,0.0,0.0,0.0,0.0,2.6025,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5691014739229026,0.0,0.0,2.6025,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5691014739229026,0.0,0.0,0.0,0.0,0.22409297052154195,0.38055555555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1771003401360542,0.0,0.9522222222222222,5.019288548752835,0.0,0.0,0.0,0.0,2.6025,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5691014739229026,0.0,0.0,5.019288548752835,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5691014739229026,0.0,0.0,0.0,0.0,0.38055555555555554,0.38055555555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1771003401360542,0.0,1.2819444444444446,5.019288548752835,0.0,0.0,0.0,0.0,2.6025,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.5,2.0714285714285716,0.5691014739229026,5.019288548752835,0.22409297052154195,0.9522222222222222,4.149127893990929,0.5477777777777778,1.0192885487528345,2.597777777777778,0.5477777777777778,1.0192885487528345,2.597777777777778,3.5,0.5,0.0,0.0,0.44737,0.7,0.42174,0.42174,0.7,0.02563,0.02563,-0.0,0.0,0.71429,0.0,0.0,0.28571,0.0,0.0,5.0,0.71429,3.0,0.42857,2.0,0.28571,-1.0,-0.14286,0.0,0.0,4.98581,0.71226,6.60412,1.61831,0.23119,2.67836,0.38262,3.41421,0.73585,0.10512,-2.1E-4,-3.0E-5,-2.1E-4,-3.0E-5,0.0,6.0,0,0,0,0,0,0,1.0,0.9494520153879485,1.9948414446449678,3.0761031709967224,3.3263604079526945,3.070847093622519,3.0975291982919866,18.039588292371022,37.90198744825439,58.44596024893772,63.20084775110119,58.34609477882786,58.85305476754775,0.22350946723624165,0.46960345682260674,0.7241421048880087,0.7830548891019513,0.7229047774247764,0.7291859826913507,3.2984754980556366,2.253086068798617,1.1718243424468628,0.9215671054908907,1.177080419821066,1.1503983151515986,0.2196825108013957,0.46156284899898525,0.7117432552002907,0.769647327517462,0.7105271134092181,0.7167007711109812,6.790838447282358,16.462618615264983,20.303212584854094,17.804556757069204,17.547044042877964,17.86722929891157,27.315542299974126,18.1792790418243,14.709790458124097,17.15430651856316,17.743337586754176,12.857812295928484,7.0,6.0,6.0,7,2,7,2.23,1.0089000000000006,0.16666666666666669,3.838519496373775,0.0,0.0,5.6762400186093895,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.085,0.106,0.096,0.23600000000000004,0.184,2.779,5.0,4.0,3.0,2.0,1.0,0.0,0.0,0.0,0.0,28.0,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,0.0,0.0,0.0,0.0,3.713572066704308,1.4285714285714286,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.5,4.0,0.6666666666666666,0,3.0,6.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.0,0.0,0.0,0.0,0.0,0.08333333333333333,0.04444444444444447,0.03125,0.026666666666666672,0.027777777777777776,0.0,0.0,0.0,0.0,0.0,0.21347222222222223,16.625382301558535,26.723216980603148,33.25076460311708,4.750109229016725,16.625382474771918,3.3306690738754696E-16,4.7580986769649563E-17,-24.9467317967063,2000010.7099194438,285715.8157027777,10.156064165428724,0.0,124.3554336802668,3.807354922057604,3.1354942159291497,3.713572066704308,4.31748811353631,4.919980925828125,5.53338948872752,6.142037405587356,6.7580945044277305,7.368339686311381,7.98514393119862,62.8735403382505,2.5649493574615367,0.0,3.4965075614664802,0.0,4.574710978503383,0.0,5.720311776607412,0.0,6.900730664045173,7.275172319452771,96.093900384,5.057573704421053,12.83378877709787,1.8333983967282672,0.0,0.0,0.0,56.0,4.0,3.1879999999999997,22.0,1.2281666666666664,2.145401956060625,2.906631195697555,3.6867925610136925,4.980893970616476,6.096363632171623,7.552042638529276,8.734918247211194,0.0,0.0,79.2887334421111,73.5364908342184,70.82334222141758,87.43373274841952,102.2550378653375,104.86391517468373,65.91669512904207,8.875235973934394,0.0,0.0,291.4289223342635,334.2655603596157,345.1598410264911,436.59113699056996,538.4422503449829,597.5310185903643,674.0399500023142,271.51396642138207,0.0,0.0,8.947770824444442,15.277394774548442,20.351421785357505,25.83388927428605,34.760871528038585,42.391908053515564,52.83431501886398,58.68523378683151,0.0,0.0,2.1842608269572223,2.7813269748472447,3.0332938051888365,3.857238695971862,4.878968293982452,5.585492303254352,6.870557957759988,3.883657375511104,0.0,0.0,175.22647827720863,330.82829520671726,474.6555453809824,600.2834351430762,821.4878539044727,1016.7197279391553,1229.5373738689004,1615.2405728980623,0.0,0.0,3.159763888888888,4.072403782229943,5.166852401319572,6.926528251738644,10.0894844230098,14.130670427382967,20.525187729270048,8.734918247211194,0.0,0.0,0.4519608333333335,0.5868967252590933,0.6474914757916621,0.8238389235563087,1.046876672024314,1.204842887097945,1.4959209755001446,0.8944556285144262,0.0,0.0,338.12231964793443,149.43608858076578,11.97338646464382,205.86287245305445,-90.98288002820246,-15.658921860835104,132.25944719487998,240.41896860896824,27.632308325478924,0.6215653009634925,0.2747061698565933,0.022010500724109792,0.3784346990365075,-0.16725249390853236,-0.028785566387123422,183.9335350073136,81.29101935342827,6.513344936068649,111.9863542178362,-49.49333947004294,-8.518221616560758,0.2790295973259271,0.2707267382379784,8.382535047481966,12.51556652242119,543.9851921009889,0.0,1.0,0.0,412.99478198343434,20.32227305159131,7.447002875220269,529.6523388022973,23.014176909077094,8.090902445530029,596.5183689329156,24.42372553344218,8.417980988085203,2.916451587062072,2.916451587062072,617.0201486856073,594.3333604983626,39.374569028354585,1.0381718235843622,15.67052450126568,15.094345796403985,3.990520372464065,4.514102298098065,8.910251885780445,0.9738701733752508,3.5239355357060833,4.708311668822702,2.082986802788305,14.808552259451993,5.9016440441816105,2.6042515329262725,2.7359631594242346,7.088595376749372,4.4755501862862355,0.45626446006193894,5.197459554632232,0.04782353939821421,1.6559343441584229,0.09936627506701261,1.0657680636051121,0.347214841571717,0.8937535436696677,1.5708859395569904E-15,5.325341131209364E-52,3.4819787671615997E-110,4.391174631040105E-190,1.0680982508159067E-291,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.30597333550645917,4.708082415198577,0.15111630619117597,3.8404980866072966,0.044680126137990606,1.1291148358734473,0.349761154829909,0.2624607999936322,2.307260461528968,0.02196767499834428,1.1057619962295768,0.0011070808628080523,0.08020113065277423,0.058099935492442197,0.08944249860712498,0.009004283169756749,0.006294779286078882,1.1063878116236775E-17,3.7506813015144024E-54,2.452386116210616E-112,3.0927401972061606E-192,7.522703313854548E-294,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9628280250868749,4.70809817377636,0.503434729304534,4.648028450002807,0.4410827765880018,1.4205515601003764,0.8365347263110694,1.0663069042112365,2.7020592246884845,0.081670311002374,1.758421953418758,0.004230528166517226,0.29759257319679266,0.0665232751667531,0.2887313081871027,0.042334483635946635,0.06559645346128194,1.1529414026605265E-16,3.9084990952263676E-53,2.5555754130548837E-111,3.222873737011398E-191,7.839236856510613E-293,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.3269341956777145,4.708286654226687,1.9498546645972545,13.630755214750113,5.260379700365917,2.510523751663064,2.5897750528585517,6.462153964349672,4.325900615221788,0.41943677504647986,4.882391185274273,0.042695104416503135,1.5225891370240268,0.09683997932812796,1.005998093449028,0.313878309622801,0.7963183166797991,1.399631090633561E-15,4.744783072902357E-52,3.102380393588395E-110,3.912457539557801E-190,9.516563119247595E-292,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4137381772304844,4.708118207066163,0.7577661564724313,5.627350375462417,0.9504785780724837,1.6234849949244163,1.1707789345209425,1.7931608129284426,2.9872676411817554,0.1312491427203323,2.2606532733728595,0.00827864454096356,0.47777875842483236,0.07230563378327909,0.42553684396751496,0.07581640801850911,0.1424842623507686,2.504342790250221E-16,8.48978231438508E-53,5.551051290079453E-111,7.000512418537692E-191,1.7027869983125821E-292,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.253342826573544,4.70841675341152,2.592792609097906,19.74431633963659,8.596947807199129,2.955167573786459,3.2773528745413874,9.644819216884752,5.048833439897571,0.604247946350613,6.437338901157167,0.06938752227181455,2.1915260391191325,0.10872001109015085,1.287069381531777,0.48498716120479896,1.3034555470784208,2.2909895085124756E-15,7.766509555933292E-52,5.0781387900639647E-110,6.404115509873434E-190,1.5577209172614114E-291,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6107322048020194,2.9545903237223063,0.8469221605808235,5.079630061490699,1.3906537093413598,2.8432180433482768,1.2818404206984964,1.9741814200975265,3.185318322012249,0.1364222595806728,3.7171588067899686,0.011872592460013862,0.5487097763777062,0.143269469118263,0.9935302145461754,0.10080303246765486,0.20829452385167047,3.661042142130441E-16,1.2411020947883892E-52,8.114956460923585E-111,1.0233890935598818E-190,2.4892658401892705E-292,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.344135060729999,0.7835146339892327,0.4357424289473684,0.8387949424013829,0.10359302032450995,0.445291637388801,0.5843531285092363,0.5263026974482007,7.563392123666601,8.076542050749051,17.805888939945305,0.7581924136020742,1.555947463346238,6.364809432320679,0.32306160252439176,0.08677424016303957,0.9395044572740466,0.04768686616200802,0.44892003093874244,0.09985439376533879,0.020871686117838472,6.77464527500811,2.6365604623249648,9.589633145733753,0.9092566859110699,0.5696461108219197,6.356955410741791,0.49729952074849937,0.21880130821535648,0.8987565198557425,0.07030900135599587,0.4475498445930693,0.2362003953522047,0.1327014672046735,7.073056239705647,4.661030825033107,12.425786020779098,0.8481347797836136,0.8164517071499474,6.3446842885383425,0.7712027741923984,0.42640867823391504,0.8412139362393739,0.1022504023547825,0.4453889662222825,0.5662233990241722,0.5039970166098391,7.542295740964655,7.927314121576524,17.556043781840824,0.7618209043590608,1.515609381856294,6.353307090430309,0.5785088258612252,0.28034662374785935,0.8809156830782694,0.08021294898021882,0.4469100519495391,0.3193596447636167,0.21785451065918238,7.212162540039393,5.6187554137946405,13.861316333148205,0.8213735246174042,0.9841242073723382,6.3424024401760635,0.8223858756197713,0.46521224754829266,0.8312453436302597,0.10778319985592905,0.4449842385348333,0.643441122393212,0.5998990519155418,7.630000563344127,8.549049459896294,18.605551601389354,0.7468680154453895,1.6883244128435873,6.4569941167106855,0.7682147833015289,0.4249210110099339,0.8440371852257806,0.10041852782064538,0.4608935837510173,0.5600188088829182,0.5004864317941848,7.650129911022148,8.030501406699308,17.78839179688908,0.7660557778386711,1.5213988244281205 +UMLCN0312,L,4-vinyl-1-cyclohexene,C=CC1CCC=CC1,Cycloalkenes,Olefins,C8H12,Santana (2006),Unknown,PubChem,,32,0,1.4427999999999996,2.081671839999999,37.0376,22.081515999999986,0,0,20,8,12,0,8,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1166.3057359999987,1299.3980239999994,1580.9043689999987,1352.9972469999977,718.453515,271.51706500000046,43.433712,2.032128,0.0,3761.1401471658037,4764.9746104408605,6574.929269989612,6559.846865144187,4385.347409587075,2015.6538488407414,561.7960601280677,62.16748886186053,0.0,140.94569599999997,145.73571200000004,258.44403600000015,352.45509999999996,306.86026800000013,192.53155600000008,68.382144,13.436928,0.0,27.646554858187983,35.673731720000006,52.49007074939603,56.70180284758407,41.31232001213107,20.81383107728199,6.452923263943001,0.8892258096979999,0.0,3233.3666730109885,2851.8254212748006,5402.638410303697,7980.551713266286,7262.514506414533,4833.415021942583,1753.7912073084433,369.83530404849796,0.0,41.52777777777778,47.25,69.58333333333333,86.58333333333334,75.83333333333334,44.0,14.0,2.0,0.0,58.31528679999993,64.96990119999997,43.91401024999996,27.059944939999955,16.328488977272727,9.697038035714302,4.3433712,1.016064,0.0,188.05700735829018,238.24873052204302,182.63692416637812,131.19693730288375,99.66698658152444,71.9876374585979,56.179606012806765,31.083744430930263,0.0,7.047284799999998,7.286785600000002,7.179001000000004,7.0491019999999995,6.974097000000003,6.876127000000003,6.8382144,6.718464,0.0,1.3823277429093992,1.7836865860000004,1.4580575208165565,1.1340360569516814,0.9389163639120697,0.7433511099029282,0.6452923263943001,0.44461290484899996,0.0,161.6683336505494,142.59127106374004,150.0732891751027,159.6110342653257,165.05714787305757,172.62196506937795,175.37912073084433,184.91765202424898,0.0,2.076388888888889,2.3625,1.9328703703703702,1.731666666666667,1.7234848484848486,1.5714285714285714,1.4,1.0,0.0,0.0596659066939468,-0.0060461187310215945,-0.026354900885550724,-0.0022637059310067747,-0.003989215078948526,0.002108518361438126,6.606464955032304E-4,0.006051822422612865,0.0,581.1168431999998,3.765876499528531E-13,-198.54825475999968,-169.49241260000025,-140.43657044000054,130.75128971999953,48.426403599999844,38.74112287999994,0.0,1080.6115845082686,-1.8474111129762605E-13,-369.20895804032534,-315.1783788149123,-261.14779958949885,243.1376065143606,90.05096537568915,72.04077230055127,0.0,0.1138367999999999,1.8127860323957634E-15,-0.0388942399999981,-0.03320239999999974,-0.027510560000000992,0.025613279999998264,0.009486399999999236,0.007589119999999751,0.0,4.8308365672752025,6.050715484207103E-15,-1.6505358271523538,-1.4089939987886,-1.167452170424844,1.0869382276369146,0.4025697139395975,0.3220557711516792,0.0,26.241180904555176,7.061018436615996E-14,-8.965736809056278,-7.653677763828586,-6.341618718600877,5.9042657035248505,2.186765075379569,1.749412060303669,0.0,5.526388888888887,-0.3791666666666659,-2.0169444444444435,-0.5131944444444455,-0.37333333333333507,0.4852777777777769,-0.19930555555555574,0.23347222222222208,0.0,0.00298329533469734,-3.0230593655107974E-4,-7.320805801541868E-4,-4.527411862013549E-5,-9.066397906701195E-5,7.53042271942188E-5,6.606464955032304E-5,0.0030259112113064325,0.0,29.05584215999999,1.8829382497642654E-14,-5.51522929888888,-3.389848252000005,-3.1917402372727395,4.669688918571412,4.842640359999985,19.37056143999997,0.0,54.03057922541343,-9.237055564881303E-15,-10.255804390009038,-6.303567576298247,-5.935177263397701,8.68348594694145,9.005096537568914,36.020386150275634,0.0,0.005691839999999995,9.063930161978817E-17,-0.001080395555555503,-6.640479999999949E-4,-6.252400000000225E-4,9.14759999999938E-4,9.486399999999236E-4,0.0037945599999998753,0.0,0.24154182836376012,3.0253577421035517E-16,-0.045848217420898715,-0.028179879975772,-0.026533003873291907,0.03881922241560409,0.04025697139395975,0.1610278855758396,0.0,1.3120590452277587,3.530509218307998E-15,-0.24904824469600773,-0.15307355527657174,-0.14412769815001994,0.21086663226874466,0.21867650753795692,0.8747060301518345,0.0,0.27631944444444434,-0.018958333333333292,-0.056026234567901206,-0.010263888888888911,-0.008484848484848524,0.017331349206349177,-0.019930555555555573,0.11673611111111104,0.0,-0.10133288951821096,-0.24539326416653867,-0.015175875513755871,-0.030390547664705128,0.025241961906483028,0.02214485732671365,1.014284833322885,0.0,6.480411888926182E-16,-0.18981481481481455,-0.11666666666666688,-0.1098484848484853,0.1607142857142852,0.16666666666666619,0.6666666666666659,0.0,-1.7095977310079675E-16,-0.18981481481481494,-0.1166666666666669,-0.1098484848484851,0.16071428571428584,0.16666666666666682,0.6666666666666669,0.0,1.5924428940340603E-14,-0.18981481481480575,-0.11666666666666588,-0.10984848484848891,0.16071428571427496,0.1666666666666534,0.6666666666666453,0.0,1.2525191858477557E-15,-0.189814814814814,-0.11666666666666661,-0.10984848484848517,0.16071428571428484,0.16666666666666555,0.6666666666666647,0.0,2.6908158067651147E-15,-0.18981481481481327,-0.11666666666666659,-0.1098484848484856,0.16071428571428398,0.1666666666666645,0.6666666666666631,0.0,-0.06861020356873575,-0.2027589288207534,-0.03714501130937431,-0.030706664534259562,0.06272214842207294,-0.07212867554661985,0.4224679567730585,0.0,1.2058101019983836,1.1648911092400256,0.8903177515824012,0.9617114536811628,0.9432543556882823,1.0701014487664497,0.0021950196819126356,0.0,1.1875000000000009,1.2644675925925937,1.0687500000000012,0.9895833333333343,0.6361607142857145,0.5937500000000002,0.0,0.0,1.1875000000000002,1.2644675925925921,1.0687499999999996,0.989583333333333,0.6361607142857144,0.5937500000000001,0.0,0.0,1.1874999999999993,1.2644675925925917,1.0687499999999992,0.9895833333333328,0.6361607142857141,0.5937499999999998,0.0,0.0,1.1874999999999998,1.2644675925925921,1.0687499999999996,0.989583333333333,0.6361607142857141,0.5937499999999997,0.0,0.0,1.1874999999999998,1.264467592592593,1.06875,0.9895833333333336,0.6361607142857141,0.59375,0.0,0.0,1.2558431766775577,0.9576666387422863,0.8079416938929382,1.127567456418927,1.0743905503895455,1.0314149283739635,0.0,0.0,31.115240861180897,14.99675729755554,23.08481967666028,31.1152408611809,3.8894051076476126,14.99675876620233,1.4210854715202004E-14,0.03384749335281416,0.00423093666910177,-2.708712267185075,63.94441117160334,7.993051396450418,3.326411304388605,31.115240861180897,14.99675729755554,23.08481967666028,31.1152408611809,3.8894051076476126,14.99675876620233,1.4210854715202004E-14,0.03384749335281416,0.00423093666910177,-2.708712267185075,63.94441117160334,7.993051396450418,3.326411304388605,31.115240861180897,14.99675729755554,23.08481967666028,31.1152408611809,3.8894051076476126,14.99675876620233,1.4210854715202004E-14,0.03384749335281416,0.00423093666910177,-2.708712267185075,63.94441117160334,7.993051396450418,3.326411304388605,31.115240861180897,14.99675729755554,23.08481967666028,31.1152408611809,3.8894051076476126,14.99675876620233,1.4210854715202004E-14,0.03384749335281416,0.00423093666910177,-2.708712267185075,63.94441117160334,7.993051396450418,3.326411304388605,31.115240861180897,14.99675729755554,23.08481967666028,31.1152408611809,3.8894051076476126,14.99675876620233,1.4210854715202004E-14,0.03384749335281416,0.00423093666910177,-2.708712267185075,63.94441117160334,7.993051396450418,3.326411304388605,31.115240861180897,14.99675729755554,23.08481967666028,31.1152408611809,3.8894051076476126,14.99675876620233,1.4210854715202004E-14,0.03384749335281416,0.00423093666910177,-2.708712267185075,63.94441117160334,7.993051396450418,3.326411304388605,45.50301444466016,20.744496800617174,32.5224875157111,45.37844847243794,5.672306059054742,20.744496807459235,-0.49826388888888573,0.021703890122832838,0.0027129862653541047,-3.0642110129352482,51.98570419016718,6.498213023770898,3.1607750090914357,0,11.899999999999999,12.100126148280118,-0.16217947755141837,0.046440507687083354,5.53627747285137,8.693130026224523,8.0,20.0,18.0,18.0,6.0,2.0,2.0,0.0,0.0,2.0,13.118483999999997,3.679015909036467,3.1576119423880686,2.70103417049305,2.4964473309723845,1.42348773432128,1.3078026833608398,0.825819993864348,0.7154119559453587,1.9810393395643477,1.5532999916748145,1.3016827891747529,1.1269871852928885,0.6095231656939222,0.5218267391127004,0.28692098810834676,0.2539669576105034,3.698640670358735,3.1819902304687373,2.7411170667362774,2.538077934882909,1.5183944258514304,1.405893885467178,0.9539357502906608,0.8571995007782004,1.9350900051589468,1.4913767027314822,1.2151884807615143,1.0359308997920926,0.4663321560170731,0.37596104088295657,0.12238371009107231,0.08567525425550204,3.785974886639711,3.293446743059181,2.9199291742235354,2.7250968735119936,1.9136079122657186,1.8117933304936888,1.4621708805548297,1.4017212484493105,1.8036457687168501,1.3164992272374185,0.9558413777924704,0.7628334064394658,0.012915108086372655,0.11304928092234566,0.44720110844720823,0.5032606479532986,3.7131486086344934,3.200182820465354,2.7708326575531146,2.56902333199101,1.5873974695738862,1.4770270723763061,1.0455066112843636,0.9571837172866574,1.9061768761308153,1.4525387387165718,1.1595669958562582,0.9773414320018283,0.3703323473469641,0.27812357355283646,0.010817369768903943,0.02881300828084,3.8292392251020324,3.3501272472759904,3.0075117608881787,2.817188314835183,2.0894928671160713,1.9915969493198624,1.6774472027896377,1.626716297610205,1.7636675269682254,1.2645633004295567,0.8743851027477857,0.6773048450468883,0.1823964423796727,0.28652067675240034,0.6578955833148261,0.7249467915050994,3.701421539455173,3.4051056035855196,2.7269656487677074,2.5914597315268537,1.6328317158931984,1.5685063478948273,1.151461463425503,1.0623430488163357,1.9631943291015936,1.322943396563858,1.1778030344152086,0.8614284952781073,0.29789102431670844,0.16938145372975197,0.11088298251816497,0.15627039309497373,0,0,1,3,0,0,3,1,0,0.0,0.0,0.0,0.10206207261596577,0.07216878364870323,0.0,0.0,0.0,0.06804138174397717,0.039283710065919304,0.20412414523193154,0.0,0.0,0.0,0.16666666666666666,0.0,0.0,0.0,0.49279927982674443,0.5948613524427102,0.49279927982674443,0.3319273052604535,0.3430130341208204,0.24453107276206532,5.819990956308912,3.931851652578137,2.9122841352177495,2.302095140581215,1.5953879568423455,1.1051717155225391,0.348461712529338,0.14433756729740646,0.727498869538614,0.4914814565722671,0.3235871261353055,0.2302095140581215,0.15953879568423454,0.1105171715522539,0.0871154281323345,0.07216878364870323,5.137828201504693,3.207908118985982,2.2802389661575337,1.6429563388745072,1.0310971652475585,0.6429563388745068,0.15713484026367722,0.05555555555555555,0.6422285251880866,0.40098851487324777,0.25335988512861485,0.16429563388745072,0.10310971652475584,0.06429563388745067,0.039283710065919304,0.027777777777777776,11.250966822715249,19.32702112163146,18.352941176470594,18.560000000000006,12.79132694610778,151.65491976047906,0.5625483411357625,0.966351056081573,0.9176470588235297,0.9280000000000003,0.639566347305389,7.582745988023953,2.3810800000000008,36.13799999999999,31.311335179564956,44.10503795080262,62.62267035912991,7.827833794891239,31.311335179565006,0.10680307413318396,0.013350384266647995,-1.7894148550813747,44.797410666305446,5.599676333288181,3.0417202720987855,60,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,3.0,0.0,0.0,4.0,3.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,3.0,0.0,3.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.305370370370369,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38097222222222227,0.9489583333333335,0.0,0.0,1.2700694444444445,0.9832638888888889,0.0,1.3299305555555558,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.750462962962963,3.764074074074074,0.0,6.554907407407407,0.0,0.7638888888888886,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0590277777777777,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38097222222222227,0.3163194444444445,0.0,0.0,0.28680555555555554,0.3159027777777778,0.0,0.3163194444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.750462962962963,1.2118055555555556,0.0,2.0590277777777777,0.0,0.7638888888888886,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.750462962962963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38097222222222227,0.3163194444444445,0.0,0.0,0.33368055555555554,0.33368055555555554,0.0,0.38097222222222227,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.750462962962963,1.3055555555555556,0.0,2.25,0.0,0.7638888888888886,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.833333333333332,1.8541666666666665,0.38097222222222227,3.750462962962963,0.28680555555555554,0.7638888888888886,5.166957777777777,0.5694444444444446,0.750462962962963,2.6107407407407415,0.5694444444444446,0.750462962962963,2.6107407407407415,4.0,0.5,0.0,0.0,0.46,0.7,0.43333,0.43333,0.7,0.02667,0.02667,-0.0,0.0,0.71429,0.0,0.0,0.125,0.125,0.0,6.0,0.75,4.0,0.5,2.0,0.25,-2.0,-0.25,0.0,0.0,5.64851,0.70606,8.02289,2.37438,0.2968,2.85095,0.35637,3.93185,1.0809,0.13511,-0.01785,-0.00223,0.06815,0.00852,0.3,8.0,0,0,0,0,0,0,0.5,0.9709505944546688,2.421127473337187,3.2464393446710154,3.6841837197791882,3.9219280948873623,3.8219280948873617,19.419011889093376,48.42254946674374,64.92878689342031,73.68367439558376,78.43856189774725,76.43856189774723,0.22465681361132722,0.5601961486127608,0.7511553347015191,0.8524398460347834,0.9074487147360962,0.8843108934201203,3.350977500432694,1.9008006215501756,1.0754887502163473,0.6377443751081744,0.40000000000000036,0.5000000000000009,0.21772967442684313,0.5429228835393667,0.727993973739428,0.8261554464434175,0.8794681543038921,0.8570437718821345,6.790894279573414,17.73048353489198,19.661470994828978,22.715968502527055,22.95557323497827,21.75557323497827,30.687171699834046,21.476560376945123,18.506743882563796,14.477900825758722,13.894555522617033,15.287712379549449,6.125,3.111111111111111,1.8,2,2,2,2.34,1.0412000000000012,0.0,2.0041451295984074,0.4999999999999999,0.0,7.732315986074721,3.965406456500188,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.134,0.14400000000000002,0.378,0.496,3.727,9.0,10.0,10.0,10.0,4.0,2.0,0.0,0.0,0.0,61.0,2.3978952727983707,2.5649493574615367,2.772588722239781,2.8903717578961645,3.091042453358316,2.5649493574615367,2.1972245773362196,0.0,0.0,0.0,4.6443908991413725,1.6885245901639345,0.4,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.125,1.0,0.125,0,3.0,5.0,0.6666666666666666,1.0,0.44444444444444464,0.1875,0.15111111111111114,0.0625,0.0,0.0,0.0,0.0,0.0,0.125,0.04938271604938274,0.026785714285714284,0.05037037037037038,0.0625,0.0,0.0,0.0,0.0,0.0,0.3140388007054674,16.427289909297677,24.539179878650465,32.854579818595354,4.106822477324419,16.427290200017914,0.07755761457499238,0.009694701821874048,-2.045387363957745,52.854475777570336,6.606809472196292,3.174033917638171,0.0,129.29495960533347,4.0,3.5553480614894135,4.290459441148391,5.043425116919247,5.796057750765372,6.555356891810665,7.311218384419629,8.071843149609158,8.82834762005316,9.589256144850811,75.04131256106584,2.833213344056216,0.0,3.970291913552122,0.0,5.342334251964811,0.0,6.803505257608338,0.0,8.298290634359283,8.556606193773073,108.093900384,5.4046950192,15.692665461309003,1.9615831826636254,0.0,0.0,0.0,64.0,7.0,3.605,34.0,1.2807490085369242,2.2814508273911507,3.0812280688495486,3.871664741892601,4.616527880022068,5.896397513666779,6.679223503616983,0.0,0.0,0.0,96.90813439980087,111.6061702456463,90.22507572926757,71.03366663599652,50.24982516046606,25.426904989466415,6.786518549979086,0.0,0.0,0.0,337.1417182942504,446.1889488668858,426.3836897719091,407.1300172784186,359.2199492128794,329.8744806267568,207.6152763834929,0.0,0.0,0.0,9.376375107656816,16.432918398694135,21.78046047138441,27.045223986333284,31.850035684306246,40.314232012051676,44.87412265700457,0.0,0.0,0.0,2.458104447196628,3.497160368148811,3.637188018047764,3.761628577735631,3.63000895325007,3.7938424200030156,2.9696689640788616,0.0,0.0,0.0,179.89472764124918,338.65850199570593,487.28892585107934,635.9554609713473,788.6093287654173,1034.630594615768,1235.1063276340303,0.0,0.0,0.0,3.095578824249311,4.519856975219,5.493920520213177,6.844122255800996,7.644932270177691,8.277750529756831,6.679223503616983,0.0,0.0,0.0,0.5060233173020202,0.7298968012496785,0.7713986325950092,0.8090856849653503,0.7931012335773469,0.8449198229884832,0.683952486770379,0.0,0.0,0.0,272.963953591538,133.90455357743042,11.673306984239684,83.33892636733796,-40.88254725215368,-7.321960136627629,189.6250272242,174.7871008295841,18.99526712086731,0.7661008904083041,0.3758166467609959,0.032762314426386344,0.2338991095916958,-0.11474099579793542,-0.020549820246955963,97.25784278962594,47.71057807924606,4.1592328971286605,29.69389947736322,-14.566569325997186,-2.608835483624509,0.11602428266344857,0.2086564926278837,2.6565290988112773,4.862416295739624,356.30287995887596,0.0,1.0,0.0,506.02917948692044,22.495092342262577,7.96878030127966,623.3351739363998,24.96668127598059,8.542281482778526,816.2124308392362,28.569431755623636,9.345468290529864,2.1948562828527387,2.1172782967371586,459.48140509924,362.22623434126047,127.42234706651656,1.26849289625542,3.605971916836402,2.8427214117486974,4.011451490811713,4.101031438688357,7.346168202142092,0.7912977044847127,3.7552553807252167,3.33284062426261,4.848962161950893,14.395568139751422,10.72733355489126,7.996376200304971,8.921516809753578,5.173402027318825,3.3272250856103422,1.3212644582233442,1.9795108210228234,0.4987811827292552,8.963981828877669E-6,0.09381578033982622,2.716963177922881E-19,1.5176356324746166E-58,1.635035482092583E-119,3.397525723831242E-202,1.3616774025799115E-306,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.31529647256655213,3.332713399488211,0.4514715234616276,5.57777689113431,5.00835107831197,1.3337466874824895,0.4344550123266274,1.0375810655818953,0.2419569188276506,0.11102928396784849,0.018238907085875236,0.004744088675635792,6.313405696331636E-8,6.607522118074334E-4,1.913579381538002E-21,1.0688831849429069E-60,1.1515688589520594E-121,2.3929051472603276E-204,9.59040528431151E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.017465423043278,3.332722253172371,1.247793565212508,6.805486320033609,5.862702885388603,2.550427212272089,1.5807129453698985,1.416596189293062,0.7151173748224433,0.35804442406542164,0.15632484849193473,0.03977073309405846,6.579055501715342E-7,0.006885547489666546,1.994097253308418E-20,1.113858690037247E-59,1.2000235374537597E-120,2.493591657401872E-203,9.993941730386655E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.5446635613098914,3.332826780719139,4.543914511424631,13.653327497452777,10.266487405400193,7.537798516473429,8.194590770196696,4.755639766448518,3.082944261165676,1.2471677729124027,1.7666672773710292,0.4452527613729813,7.98674642610251E-6,0.08358817126640011,2.420765276567343E-19,1.3521860257173307E-58,1.456787178113761E-119,3.027134252434998E-202,1.2132300506817628E-306,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4994823946998643,3.3327334129263,1.8245216153033743,7.818165336897099,6.5421290841665325,3.4281902335867387,2.5416178996723136,1.8149039497599282,1.0864275154478975,0.5276184114108992,0.3289844081570425,0.08335781426941019,1.4290587686725776E-6,0.014956329240046556,4.331445698677122E-20,2.41944991594137E-59,2.6066114784480205E-120,5.416414290120872E-203,2.170817689513054E-307,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.534982099621958,3.3328987555958176,6.019105877327514,17.373585881785047,12.559369717399843,9.751844773226322,11.848431860393774,6.907044819185938,4.294592879181001,1.5956190297042954,2.872914708207826,0.7234098676500176,1.307312504830665E-5,0.13682149867104046,3.9624354505276386E-19,2.213328940180449E-58,2.3845455874257315E-119,4.954971963396484E-202,1.985878519078769E-306,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.096995075726575,2.5027265555741582,2.6564182738639386,7.849426833352573,6.846616605103952,4.35582441818174,3.595608133446603,2.479273395936759,1.7754885336317825,0.9508006342665352,0.5895675651124217,0.15322222232498592,2.607374590800929E-6,0.027288417864279726,7.902895040947255E-20,4.414382650197599E-59,4.755866368818726E-120,9.882463410815787E-203,3.960743259113897E-307,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.914103399837043,1.7608591029903888,0.44909493916754295,0.6391356444497985,0.28753144784624535,0.46696013633570704,0.5289860032680596,0.2747966136270374,6.1240574419949745,9.440781541634058,18.660084208037926,0.45870346667469775,1.270742753230804,3.21231904604586,1.0396977608640448,0.13995835348159602,0.7314064694663515,0.23672669423097698,0.3156301687723679,0.18751451962212926,0.02645651410266422,4.3919751603915005,3.934946190625989,8.794359986980847,0.5971097041995271,0.5296012024971614,3.4648604415922875,1.303153841107746,0.2524489461930195,0.6901475588252132,0.2595684465146605,0.36633915387718863,0.29372292077543866,0.08647884990804486,5.020463228893052,5.718926374464159,11.87925874667381,0.5352213382378197,0.7465409245606722,3.893829495138686,1.7405025283361504,0.44030849463936006,0.6409975180469579,0.2865194282930951,0.4621208534215871,0.517257947005684,0.2641182677897391,6.074640518114196,9.258064332753303,18.316772422659767,0.46149627707043683,1.2434970682170101,3.5877923907606006,1.4297904119829246,0.30667919829730095,0.6738572200352335,0.2685424593499378,0.3925209023873443,0.3526259798457684,0.1278156226102966,5.324262001040826,6.66857943183051,13.566041673404463,0.5107858300528503,0.8729625048434093,3.978704409339453,1.8255373900683365,0.4770395318799574,0.6334224180536371,0.2906313686309728,0.4825738051514463,0.5669760799618525,0.3101650798006853,6.2812813312877465,10.0321264541865,19.77827645372085,0.45013362708045557,1.3597149649139841,3.9289736828956117,1.7361747359962545,0.43941246438015713,0.6436128262168622,0.28440616273543834,0.47047453180369075,0.5147834446203141,0.2630938808322485,6.104560883272024,9.310721674462146,18.412684083680624,0.4654192393252934,1.2483518572562533 +UMLCN0313,L,"2,4,4-trimethyl-1-pentene",CC(=C)CC(C)(C)C,Olefins,,C8H16,NREL (2014),IQT,PubChem,,8.8,0,3.1663000000000006,10.025455690000003,38.157,24.74868799999998,0,0,24,8,16,0,8,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1170.3699919999983,1203.5622549999996,1674.793689999998,1290.353740999999,1097.0638619999943,399.5339039999998,45.72288,0.0,0.0,3885.4751248895254,4800.404174173605,6735.600534195651,7510.205478161015,6043.522449969969,3786.3083402271172,1398.7684993918604,0.0,0.0,167.81955200000002,166.66572400000007,297.58103200000005,372.23128400000047,554.7162479999998,234.8818560000002,302.3308800000001,0.0,0.0,29.425006477583977,37.339008960000015,54.15737824788604,66.28108257000005,59.44440753578914,36.74696223000003,20.007580718205,0.0,0.0,3973.0372811079847,3337.521256036401,6612.996548071687,7830.731522956304,14184.45857799979,5053.044074525702,8321.294341091205,0.0,0.0,47.59027777777778,53.208333333333336,76.0,108.25,112.25,75.0,45.0,0.0,0.0,48.76541633333326,52.32879369565216,39.876040238095186,24.81449501923075,13.543998296296225,12.107087999999994,1.016064,0.0,0.0,161.8947968703969,208.71322496406975,160.37144129037264,144.42702842617337,74.61138827123419,114.7366163705187,31.08374443093023,0.0,0.0,6.992481333333334,7.24633582608696,7.085262666666668,7.158293923076932,6.848348740740739,7.117632000000006,6.718464000000002,0.0,0.0,1.2260419365659991,1.6234351721739138,1.2894613868544293,1.2746362032692318,0.7338815745159153,1.1135443100000009,0.44461290484899996,0.0,0.0,165.54322004616603,145.1096198276696,157.4522987636116,150.59099082608276,175.11677256789864,153.12254771290006,184.917652024249,0.0,0.0,1.9829282407407407,2.3134057971014492,1.8095238095238095,2.081730769230769,1.3858024691358024,2.272727272727273,1.0,0.0,0.0,0.04569494296468145,-0.008055359707749371,0.008393323984297159,-0.050392711799467846,0.051517313103240106,-0.06431359110744754,0.04000355404478674,0.0,0.0,645.6853813333338,-53.807115111110534,242.1320180000003,-995.431629555554,766.7513903333331,-887.8173993333323,605.330044999999,0.0,0.0,1200.6795383425201,-100.05662819521012,450.2548268784454,-1851.047621611387,1425.8069517817423,-1650.9343652209668,1125.6370671961133,0.0,0.0,0.12648533333333326,-0.010540444444441743,0.04743200000000177,-0.19499822222221774,0.15020133333332805,-0.17391733333333098,0.11857999999999447,0.0,0.0,5.367596185861331,-0.4472996821551001,2.012848569698008,-8.275044119869536,6.374020470710307,-7.380444755559322,5.032121424244974,0.0,0.0,29.156867671727976,-2.4297389726441034,10.933825376897918,-44.95017099391412,34.62378036017716,-40.09069304862604,27.33456344224519,0.0,0.0,6.46498842592592,-2.938958815586421,4.194372106481481,-8.817081404320989,9.859483506944445,-9.827727141203708,4.297417534722227,0.0,0.0,0.001903955956861727,-3.5023303077171176E-4,1.9984104724517045E-4,-9.690906115282278E-4,6.360162111511124E-4,-0.001948896700225683,8.889678676619276E-4,0.0,0.0,26.903557555555576,-2.3394397874395882,5.765048047619055,-19.142915952991423,9.4660665473251,-26.903557555555526,13.451778777777756,0.0,0.0,50.028314097605005,-4.3502881824004405,10.720353020915367,-35.59706964637283,17.602554960268424,-50.028314097605055,25.014157048802517,0.0,0.0,0.005270222222222219,-4.5828019323659755E-4,0.0011293333333333756,-0.0037499658119657256,0.0018543374485596056,-0.005270222222222151,0.0026351111111109883,0.0,0.0,0.22364984107755545,-0.019447812267613048,0.04792496594519066,-0.1591354638436449,0.07869161074950996,-0.2236498410775552,0.11182492053877721,0.0,0.0,1.214869486321999,-0.10564082489756972,0.2603291756404266,-0.8644263652675792,0.42745407852070566,-1.2148694863220013,0.6074347431610042,0.0,0.0,0.26937451774691334,-0.12778081806897482,0.09986600253527336,-0.16955925777540365,0.1217220186042524,-0.29780991336980933,0.0954981674382717,0.0,0.0,-0.18395017464006763,0.10496096116349593,-0.5089879353751287,0.33404985491337313,-1.023603877601261,0.46690568889377315,0.0,0.0,-0.08695652173912943,0.21428571428571438,-0.7115384615384599,0.35185185185185147,-0.9999999999999981,0.49999999999999883,0.0,0.0,-0.08695652173913054,0.21428571428571444,-0.7115384615384623,0.3518518518518518,-1.0000000000000009,0.5000000000000003,0.0,0.0,-0.08695652173910821,0.21428571428572246,-0.7115384615384457,0.3518518518518397,-0.9999999999999871,0.499999999999977,0.0,0.0,-0.08695652173912834,0.21428571428571522,-0.7115384615384601,0.3518518518518506,-0.9999999999999989,0.4999999999999977,0.0,0.0,-0.08695652173913421,0.21428571428571283,-0.711538461538464,0.35185185185185375,-1.0000000000000018,0.5000000000000039,0.0,0.0,-0.4743611947327152,0.3707329237025342,-0.6294554481011096,0.4518690914877644,-1.105560822384885,0.35451819361768855,0.0,0.0,1.5091261887458964,0.8748719052837358,1.640375021097893,0.417348027688406,2.4629467896658714,0.0925231608467166,0.0,0.0,1.4999999999999998,0.9241071428571426,1.9489182692307692,0.37268518518518506,2.15625,0.0,0.0,0.0,1.5000000000000007,0.9241071428571432,1.9489182692307692,0.3726851851851854,2.15625,0.0,0.0,0.0,1.499999999999999,0.9241071428571421,1.9489182692307683,0.3726851851851849,2.1562499999999982,0.0,0.0,0.0,1.5000000000000009,0.9241071428571436,1.9489182692307685,0.3726851851851855,2.1562500000000013,0.0,0.0,0.0,1.5,0.9241071428571429,1.9489182692307678,0.3726851851851851,2.156249999999999,0.0,0.0,0.0,1.869041758045027,0.34823306756350697,1.8971145669440452,0.16058720852168482,3.234203919877288,0.0,0.0,0.0,32.19501901001485,16.097509505007437,24.291617800556246,32.19501901001487,4.024377376251858,16.097509815094345,2.1316282072803006E-14,0.015329860279716057,0.001916232534964507,-3.342362160250978,29.99484803205217,3.7493560040065215,2.7208205077196435,32.19501901001485,16.097509505007437,24.291617800556246,32.19501901001487,4.024377376251858,16.097509815094345,2.1316282072803006E-14,0.015329860279716057,0.001916232534964507,-3.342362160250978,29.99484803205217,3.7493560040065215,2.7208205077196435,32.19501901001485,16.097509505007437,24.291617800556246,32.19501901001487,4.024377376251858,16.097509815094345,2.1316282072803006E-14,0.015329860279716057,0.001916232534964507,-3.342362160250978,29.99484803205217,3.7493560040065215,2.7208205077196435,32.19501901001485,16.097509505007437,24.291617800556246,32.19501901001487,4.024377376251858,16.097509815094345,2.1316282072803006E-14,0.015329860279716057,0.001916232534964507,-3.342362160250978,29.99484803205217,3.7493560040065215,2.7208205077196435,32.19501901001485,16.097509505007437,24.291617800556246,32.19501901001487,4.024377376251858,16.097509815094345,2.1316282072803006E-14,0.015329860279716057,0.001916232534964507,-3.342362160250978,29.99484803205217,3.7493560040065215,2.7208205077196435,32.19501901001485,16.097509505007437,24.291617800556246,32.19501901001487,4.024377376251858,16.097509815094345,2.1316282072803006E-14,0.015329860279716057,0.001916232534964507,-3.342362160250978,29.99484803205217,3.7493560040065215,2.7208205077196435,49.382177861897866,24.451505597615594,38.128201143198346,49.02280286189785,6.127850357737231,24.451505597675553,-0.4791666666666785,0.04716788325879018,0.005895985407348772,-2.4432336459416137,24.13005028974672,3.01625628621834,2.5467663710015316,0,11.889999999999999,12.110114161591722,-0.1576632146566233,0.06393857988163498,5.956422936881394,8.994597206767374,7.0,23.0,22.0,22.0,6.0,1.0,1.0,0.0,0.0,1.0,17.491311999999997,3.6106703068228754,3.211917665809036,2.333552793103047,2.333552793103046,2.2566779666148227,2.079746184741647,0.529871049697227,0.3870295672195153,1.9394012546212034,1.66286822539143,1.249629722584357,1.2496297225843551,1.1541140882766654,0.9838368905410659,0.08392307051869068,0.08392307051869081,3.631157041822418,3.2404561186939747,2.405454587841288,2.4054545878412865,2.3266166895538105,2.1472216468922243,0.6207605983280952,0.5074065759180721,1.887974041671917,1.5943889626940164,1.1345406859483513,1.1345406859483511,1.0410288529409555,0.8665712063299599,0.27091390189293674,0.270913901892937,3.7240772347126443,3.370020408033235,2.7042369872335192,2.704236987233519,2.6185780487495482,2.4355405792819074,0.9701336493656847,0.961482150254827,1.7431930293100955,1.3965664231731194,0.7603185604308988,0.7603185604308984,0.6735529669381953,0.4908459437659505,0.9439184268026213,0.9439184268026213,3.646399809584192,3.261717860343901,2.457539916041694,2.4575399160416924,2.3773709785716473,2.196607990049773,0.6851610205291783,0.5919618653993202,1.8557944419383867,1.5510214289012092,1.0582626705327116,1.0582626705327112,0.966078726551091,0.7892159450514007,0.3992772455089811,0.39927724550898175,3.77104467565822,3.435106011121225,2.8389820851496506,2.838982085149649,2.750724253862447,2.5689317559259903,1.2076448229620886,1.2076448229620882,1.7000883860766098,1.3366244161081626,0.6313372621875608,0.6313372621875608,0.5471831561201767,0.36415303645044206,1.110382942815596,1.1424386472202603,3.629789626176959,3.3181486992798472,2.534091446846318,2.529754754575966,2.529754754575966,2.2303170963181866,0.6518090656920753,0.5697667236404605,1.9219251891292137,1.4847931626431041,0.9729979978192097,0.9729979978192089,0.8938572147382263,0.6333470914433076,0.5189189189189181,0.5189189189189182,0,0,1,0,1,4,1,0,1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9689084622436843,0.35355339059327373,0.0,0.0,1.8106601717798212,0.35355339059327373,0.0,0.0,0.8164965809277261,2.041241452319315,1.0206207261596576,0.6553300858899106,1.4571067811865475,0.6767766952966369,6.784457050376173,3.4165022194363885,4.158631167129105,1.0206207261596576,1.2247448713915892,0.0,0.0,0.0,0.8480571312970216,0.4880717456337698,0.4158631167129105,0.2041241452319315,0.20412414523193154,0.0,0.0,0.0,6.414213562373095,3.060660171779821,3.6945436482630063,0.8321067811865475,0.9053300858899106,0.0,0.0,0.0,0.8017766952966369,0.43723716739711727,0.3694543648263006,0.1664213562373095,0.15088834764831843,0.0,0.0,0.0,12.334622430286998,23.102694828841948,21.80392156862746,22.080000000000002,14.388435928143707,184.2260407185629,0.5139426012619582,0.9626122845350812,0.9084967320261441,0.92,0.5995181636726544,7.676085029940121,2.9248900000000013,38.616,17.033817453757575,25.438068607981563,34.067634907515156,4.2584543634393945,17.03381756689279,0.07469592539889064,0.00933699067486133,-2.0754637876245225,34.55960745133435,4.319950931416794,2.83414846832241,45,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,4.0,2.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.1159490740740745,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.34881944444444446,0.0,0.0,0.0,0.9671527777777778,0.5805555555555556,0.0,0.34881944444444446,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.746319444444444,3.8404861111111113,1.1319444444444444,0.0,0.0,0.0,0.0,0.0,0.0,1.2754629629629632,0.0,0.0,0.4224537037037037,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2754629629629632,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.34881944444444446,0.0,0.0,0.0,0.22562500000000002,0.2902777777777778,0.0,0.34881944444444446,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0746527777777777,3.8404861111111113,1.1319444444444444,0.0,0.0,0.0,0.0,0.0,0.0,1.2754629629629632,0.0,0.0,0.4224537037037037,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.8404861111111113,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.34881944444444446,0.0,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.34881944444444446,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.223888888888889,3.8404861111111113,1.1319444444444444,0.0,0.0,0.0,0.0,0.0,0.0,1.2754629629629632,0.0,0.0,0.4224537037037037,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.416666666666668,1.9270833333333335,0.34881944444444446,3.8404861111111113,0.043402777777777776,0.4224537037037037,5.468942685185184,0.8275462962962963,0.8404861111111112,3.1736111111111107,0.8275462962962963,0.8404861111111112,3.1736111111111107,4.0,0.5,0.0,0.0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,-0.0,0.0,0.71429,0.0,0.0,0.625,0.125,0.125,4.5,0.5625,3.5,0.4375,1.0,0.125,-2.5,-0.3125,0.0,0.0,8.28712,1.03589,9.73928,1.45216,0.18152,2.87519,0.3594,3.41649,0.5413,0.06766,0.49751,0.06219,0.49751,0.06219,0.0,7.0,0,0,0,0,0,0,0.75,0.9182958340544896,2.0825518169307426,2.8333333333333335,2.8333333333333335,2.6422932291366186,1.9614661456830926,22.03910001730775,49.98124360633783,68.0,68.0,63.415037499278846,47.07518749639422,0.20028426271971758,0.4542134895548619,0.6179621606256727,0.6179621606256727,0.576295493959006,0.42780418495780037,3.6666666666666674,2.5024106837904143,1.7516291673878235,1.7516291673878235,1.9426692715845384,2.623496355038064,0.20028426271971758,0.4542134895548619,0.6179621606256727,0.6179621606256727,0.576295493959006,0.42780418495780037,6.732876570223358,16.720644720716088,17.477301126509538,17.477301126509538,15.18481987614896,10.298772796510459,31.599000019230836,19.429158768440644,19.57694218620793,19.57694218620793,18.43070156102764,15.540726560546869,8.0,2.52,7.2,8,2,5,2.34,1.1928000000000003,3.298769776932236,2.4999999999999996,2.586409289858932,3.2219700748862707,0.0,1.0,1.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.155,0.135,0.06400000000000003,0.15400000000000003,3.2239999999999998,10.0,5.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,36.0,2.1972245773362196,2.5649493574615367,1.9459101490553132,2.302585092994046,0.0,0.0,0.0,0.0,0.0,0.0,3.784189633918261,1.1944444444444444,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.2857142857142857,6.0,0.8571428571428571,0,2.0,4.0,1.0,4.0,0.666666666666667,0.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5714285714285714,0.0666666666666667,0.15,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7880952380952381,17.033817453757575,25.438068607981563,34.067634907515156,4.2584543634393945,17.03381756689279,0.07469592539889064,0.00933699067486133,-2.0754637876245225,34.55960745133435,4.319950931416794,2.83414846832241,0.0,144.28787700693348,4.0,3.5553480614894135,4.174387269895637,5.056245805348308,5.68697535633982,6.577861357721047,7.2115567333138015,8.105005537547246,8.739536422559677,9.633841842570446,73.7407583867854,2.70805020110221,0.0,4.007333185232471,0.0,5.41610040220442,0.0,6.882437470997847,0.0,8.379079889286603,8.635687085464026,112.12520051199999,4.671883354666666,14.279080744360847,1.784885093045106,0.0,0.0,0.0,66.0,5.0,3.9949999999999997,34.0,1.2263913043478256,2.122827540558165,3.0010814233141683,3.466999627554862,4.267526704565327,4.641581648232001,0.0,0.0,0.0,0.0,74.73814722499996,97.23810672583211,77.48127974316061,51.73940796019953,51.6673213545224,4.716144015829196,0.0,0.0,0.0,0.0,280.64315880289416,375.4189097976862,440.4722740923253,273.53268219229477,489.6415743526555,144.2777377089395,0.0,0.0,0.0,0.0,8.920641989391303,15.11613074032033,21.492257564630606,23.78171194372197,30.374684633268718,31.184299206707347,0.0,0.0,0.0,0.0,2.124868552566955,2.9478168913974683,3.8634569897724464,2.638677270461189,4.75208007964177,2.0637070997142386,0.0,0.0,0.0,0.0,175.85691139357755,328.88413858289397,451.335984711378,604.2908036459902,653.4545614358792,858.310380069905,0.0,0.0,0.0,0.0,2.884896739130434,4.074284291127107,6.268878605559986,4.892084028104832,9.501570859161964,4.641581648232001,0.0,0.0,0.0,0.0,0.4404825000000002,0.6164889059420648,0.8206695032887569,0.5743534341427884,1.0242064090956788,0.475297960778957,0.0,0.0,0.0,0.0,378.50824588307114,175.48565448721328,11.283266248274584,174.47711829660037,-80.89184748376776,-11.664369018383223,204.03112758647077,256.37750197098103,22.947635266657805,0.6844814897489571,0.317342312933613,0.020404276458587275,0.3155185102510428,-0.14628207674857202,-0.021093449798055285,209.30952019465877,97.04099855491965,6.239481095438317,96.4832928022652,-44.73200773997777,-6.4502253495567246,0.11524811474552753,0.2150302855086468,1.7081813194010844,8.094607765098518,552.9853641796716,0.0,1.0,0.0,457.3961476632632,21.38682182240417,7.7048496332244625,612.8133495590762,24.755067149153042,8.493944242861332,831.5107869369428,28.83592875107273,9.403494954125511,1.5686821023899082,1.5686821023899082,395.9470608344605,360.83143069173,150.0026356480491,1.0973186567351194,2.639600691840311,2.4055006042583686,3.9455572046143415,3.4809031019242767,6.533428095659197,0.8769347793816653,4.625737201661969,5.969182007159486,4.833867253472589,20.01946838230864,1.9380968731457926,11.401676485236072,6.391314561801068,6.214192257913181,6.435939819227883,0.7167103768169604,3.023401943294125,1.7885467574452478,7.029136857974544E-10,5.328188795574554E-41,7.789922115475269E-94,2.196658427978376E-168,1.1947247243398122E-264,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.388216777035024,5.863019004823985,0.3005728868460284,10.166937537908547,0.8191973799571065,0.44799719190281007,0.31237840864520044,0.3671378635384678,1.0376119360062839,0.012675958845269794,0.057447806259828434,0.012596881053722711,4.950678563009474E-12,3.752686934810814E-43,5.48650584044959E-96,1.547124491865459E-170,8.414543920533139E-267,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.25318503643109,5.870113599463388,1.0395393644886828,11.945171487402131,0.9467796487340937,1.781373764117455,0.8872424188723036,1.2358255536236076,1.634041974644613,0.0722005731071758,0.3147865449765922,0.1312692128261329,5.1589887619794076E-11,3.910589119756369E-42,5.7173620975722515E-95,1.6122230044491237E-169,8.76860352994191E-266,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.36631923771034,5.95752644190525,4.4904087253461125,19.333919107655742,1.8339357730666277,10.411824459552033,5.783566036999968,5.741328950409052,5.9266346409921224,0.643828447402613,2.718690692439995,1.5935629607062207,6.262834391091417E-10,4.747320290583695E-41,6.940680358694874E-94,1.957183111695448E-168,1.0644782201094663E-264,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.846958629937458,5.879311595057188,1.6021554434798397,13.235019539727897,1.0642931471002601,2.9646667717111637,1.4796107360264104,1.9285984291877458,2.1935610933825718,0.1380582734827318,0.5947924118655581,0.2851342713205895,1.1206012969289809E-10,8.494322126947174E-42,1.2418874467743292E-94,3.50196380158666E-169,1.904657858595305E-265,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.586245156892432,6.018191958530912,6.180402123109011,22.65129007214056,2.3642510594123296,15.429166497165852,8.909040369645766,8.095464861951667,8.524708209651461,1.0203739531844456,4.291424122749092,2.6084273552964823,1.0251335498018061E-9,7.770662606781946E-41,1.1360869296287755E-93,3.2036198717923476E-168,1.7423937283408793E-264,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.610296131135476,4.087026154263253,1.905552412501308,14.902934938944476,1.1493131416411233,4.098193007699149,2.0632887551348458,2.5492926467644885,2.9283220616149785,0.21971142366121668,0.9407628087155623,0.4816142269281346,1.8927837920553214E-10,1.4347578653035816E-41,2.097645645470272E-94,5.915092497369965E-169,3.2171170371119664E-265,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.498140358641164,1.4237704996249088,0.9694120120848412,0.593778415412632,0.2416724615094984,0.48693586180480747,0.5358618508579792,0.4041487832965503,5.891322870350914,9.751908554594529,20.471435497090603,0.3906676231189479,1.426946495959337,2.711650873486799,0.825400571538998,0.5122357967927846,0.6696612790227658,0.2038384837249286,0.29281436455135873,0.18221604466045008,0.11284032606209582,4.049287241818582,4.050002546030087,9.245775016365911,0.5044919185341488,0.5878707352739047,3.0237743674610273,1.0632982855814626,0.6938113500997857,0.632471811797489,0.22240620874352962,0.3639402782802819,0.30106959573428344,0.20701760623336626,4.780884003142276,6.050831496269804,13.062439783167871,0.4487077176962336,0.8720274802479316,3.4786457274391736,1.4089799136416448,0.9580936171031166,0.5950757424022907,0.24102763944215935,0.4815263166355885,0.5249503722006765,0.3947665768985446,5.8457192581839355,9.584144886146184,20.125808588223848,0.3926136136034361,1.4012432657348097,3.1630086776611144,1.1692310663453596,0.7747470477521733,0.619349296686138,0.22894734488685098,0.3981757328423995,0.36328958918654614,0.2581334833935166,5.106986791758647,7.054677960864977,15.026902469365657,0.429023945029207,1.0195988054224623,3.5591797671250056,1.4700689524015613,1.004846884895342,0.5898447754982148,0.2436270567745504,0.5040706629582469,0.5707173141320132,0.4342344378198088,6.034095604421909,10.285864580846448,21.577559920368056,0.38476716324732213,1.5090224149100688,3.48210466135661,1.412405140641733,0.9578762999585302,0.594988881576404,0.2413383389331515,0.4825011075806151,0.5283095920319487,0.3945875133614488,5.852386101956872,9.606477463201548,20.16983572867086,0.39248332236460587,1.4053982129740126 +UMLCN0314,L,2-octene,CCCCCC=CC,Olefins,,C8H16,NREL (2014),"20% Blend, CFR",PubChem,,43,0,0.3502000000000012,0.12264004000000082,35.1364,24.74868799999998,0,0,24,8,16,0,8,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1170.3699919999983,1203.5622549999996,1190.5296539999983,1024.169165,840.5355880000001,646.8270510000002,450.07032200000015,264.40461700000026,81.787104,3885.4751248895254,4800.4041741736055,5835.090880438761,5502.536551610896,4641.558567457224,3728.0114557948973,2721.2131108397707,1798.06763782423,968.1733981014837,167.81955200000002,166.665724,297.4861680000001,362.65125199999994,313.6024480000001,270.8729400000002,207.98804000000013,145.502308,103.17196799999998,29.425006477583977,37.33900896000001,50.13168110849005,50.226728846376076,42.76335720182907,35.07566705698001,26.05413819758398,17.701540743339,10.682782003641003,3973.0372811079847,3337.5212560364007,6591.128897317892,8593.814026428678,7452.899071127231,6528.696872161381,5049.741717122784,3538.9914577728396,2582.994154495641,41.0,48.75,71.5,77.75,67.0,58.0,45.0,31.5,21.0,48.76541633333326,52.32879369565216,28.345944142857103,19.695560865384614,18.678568622222222,16.585309000000006,15.002344066666671,12.59069604761906,5.4524736,161.8947968703969,208.7132249640698,138.93073524854194,105.81801060790184,103.14574594349386,95.59003732807429,90.70710369465903,85.62226846782048,64.54489320676558,6.992481333333334,7.246335826086957,7.083004000000002,6.974062538461538,6.968943288888891,6.945460000000005,6.932934666666671,6.9286813333333335,6.878131199999999,1.2260419365659991,1.6234351721739133,1.1936114549640489,0.9658986316610784,0.9502968267073127,0.8993760783841028,0.8684712732527994,0.8429305115875714,0.7121854669094002,165.54322004616603,145.1096198276696,156.93164041233075,165.26565435439764,165.61997935838292,167.40248390157387,168.32472390409282,168.5234027510876,172.1996102997094,1.7083333333333333,2.119565217391304,1.7023809523809523,1.4951923076923077,1.488888888888889,1.4871794871794872,1.5,1.5,1.4,0.04848187116343001,-0.0027091036912800515,-0.02446221739154394,-0.0029093320739276497,0.0019699611995002333,0.002709863809659949,-0.0013850182432186258,-0.002710404222588089,-3.6344491379698663E-4,645.6853813333338,-53.807115111110534,-242.13201799999973,-26.903557555555775,-40.355336333333526,-2.7355895326763857E-13,-2.1671553440683056E-13,-40.3553363333335,-40.355336333333526,1200.6795383425201,-100.05662819521007,-450.25482687844533,-50.02831409760489,-75.04247114640741,1.4210854715202004E-13,1.4210854715202004E-13,-75.04247114640741,-75.04247114640746,0.12648533333333326,-0.010540444444441749,-0.0474319999999981,-0.005270222222222517,-0.007905333333333698,-7.381248390281314E-16,-7.24247051220317E-16,-0.007905333333333864,-0.007905333333334045,5.367596185861331,-0.4472996821551001,-2.0128485696979936,-0.22364984107755678,-0.33547476161633494,-2.6922908347160046E-15,-2.6922908347160046E-15,-0.3354747616163354,-0.33547476161633627,29.156867671727976,-2.4297389726441017,-10.93382537689806,-1.2148694863219878,-1.8223042294829845,2.731148640577885E-14,2.731148640577885E-14,-1.8223042294829774,-1.8223042294829703,3.5,-0.3125,-1.0,-0.375,-0.1875,0.1875,0.0,-0.0625,-0.5625,0.002020077965142917,-1.1778711701217616E-4,-5.824337474177128E-4,-5.594869372937788E-5,4.377691554444963E-5,6.948368742717818E-5,-4.6167274773954194E-5,-1.2906686774228994E-4,-2.422966091979911E-5,26.903557555555576,-2.3394397874395882,-5.765048047619041,-0.517376106837611,-0.8967852518518561,-7.014332135067656E-15,-7.223851146894351E-15,-1.9216826825396904,-2.690355755555568,50.028314097605005,-4.350288182400438,-10.720353020915365,-0.9620829634154787,-1.6676104699201646,3.643808901333847E-15,4.736951571734001E-15,-3.5734510069717813,-5.002831409760498,0.005270222222222219,-4.5828019323659777E-4,-0.0011293333333332882,-1.0135042735043302E-4,-1.7567407407408217E-4,-1.8926277923798242E-17,-2.4141568374010564E-17,-3.7644444444446976E-4,-5.270222222222697E-4,0.22364984107755545,-0.019447812267613048,-0.04792496594519032,-0.004300958482260708,-0.00745499470258522,-6.90330983260514E-17,-8.974302782386682E-17,-0.015974988648396922,-0.02236498410775575,1.214869486321999,-0.10564082489756964,-0.26032917564043,-0.023362874736961303,-0.04049564954406632,7.002945232250987E-16,9.103828801926283E-16,-0.08677639188014179,-0.12148694863219803,0.14583333333333334,-0.01358695652173913,-0.023809523809523808,-0.007211538461538462,-0.004166666666666667,0.004807692307692308,0.0,-0.002976190476190476,-0.0375,-0.058308203467702754,-0.2883224100593101,-0.027696304150032946,0.02167090394521109,0.03439653747337536,-0.0228542044270494,-0.06389202296613274,-0.011994418699619301,-0.08695652173912943,-0.21428571428571389,-0.01923076923076937,-0.033333333333333465,-2.6072136075621713E-16,-2.6850914166192227E-16,-0.07142857142857167,-0.1000000000000004,-0.08695652173913049,-0.2142857142857144,-0.019230769230769187,-0.03333333333333329,7.283493291868267E-17,9.468541279428746E-17,-0.07142857142857133,-0.09999999999999995,-0.08695652173910826,-0.21428571428570586,-0.019230769230770318,-0.033333333333334894,-3.591172653781925E-15,-4.580749607144865E-15,-0.07142857142857628,-0.10000000000000908,-0.08695652173912834,-0.2142857142857137,-0.019230769230769346,-0.033333333333333506,-3.086659842611409E-16,-4.012657795394832E-16,-0.0714285714285719,-0.10000000000000092,-0.08695652173913414,-0.21428571428571563,-0.01923076923076905,-0.033333333333333076,5.764360131763873E-16,7.493668171293034E-16,-0.0714285714285706,-0.09999999999999845,-0.09316770186335403,-0.16326530612244897,-0.04945054945054945,-0.02857142857142857,0.03296703296703297,0.0,-0.02040816326530612,-0.2571428571428571,1.3841718827245728,1.3864036071651313,0.9821552944238128,0.8729961028282845,0.8589486638754644,1.0043754535275933,1.0264545962358422,0.6903238456199019,1.4999999999999998,1.3348214285714284,0.9537259615384613,0.9583333333333333,0.8846153846153844,0.8624999999999997,0.9241071428571422,0.8624999999999994,1.5000000000000007,1.3348214285714288,0.9537259615384617,0.9583333333333335,0.884615384615385,0.8625000000000006,0.9241071428571435,0.8625000000000006,1.499999999999999,1.3348214285714275,0.9537259615384608,0.9583333333333325,0.8846153846153839,0.8624999999999994,0.9241071428571423,0.8624999999999996,1.5000000000000009,1.3348214285714297,0.9537259615384622,0.9583333333333339,0.8846153846153852,0.8625000000000007,0.9241071428571436,0.8625000000000006,1.5,1.3348214285714286,0.9537259615384617,0.9583333333333334,0.8846153846153845,0.8624999999999997,0.9241071428571425,0.8624999999999997,1.5,1.1539115646258502,0.9004120879120878,0.8761904761904761,0.8846153846153846,1.013095238095238,1.0561224489795917,1.3142857142857143,40.51657403263658,20.258287016318306,32.652855105561095,40.5165740326366,5.064571754079575,20.25828702167552,2.4868995751603507E-14,0.08132610340328983,0.010165762925411229,-2.007430591112582,33.056754484525065,4.132094310565633,2.798580733689445,40.51657403263658,20.258287016318306,32.652855105561095,40.5165740326366,5.064571754079575,20.25828702167552,2.4868995751603507E-14,0.08132610340328983,0.010165762925411229,-2.007430591112582,33.056754484525065,4.132094310565633,2.798580733689445,40.51657403263658,20.258287016318306,32.652855105561095,40.5165740326366,5.064571754079575,20.25828702167552,2.4868995751603507E-14,0.08132610340328983,0.010165762925411229,-2.007430591112582,33.056754484525065,4.132094310565633,2.798580733689445,40.51657403263658,20.258287016318306,32.652855105561095,40.5165740326366,5.064571754079575,20.25828702167552,2.4868995751603507E-14,0.08132610340328983,0.010165762925411229,-2.007430591112582,33.056754484525065,4.132094310565633,2.798580733689445,40.51657403263658,20.258287016318306,32.652855105561095,40.5165740326366,5.064571754079575,20.25828702167552,2.4868995751603507E-14,0.08132610340328983,0.010165762925411229,-2.007430591112582,33.056754484525065,4.132094310565633,2.798580733689445,40.51657403263658,20.258287016318306,32.652855105561095,40.5165740326366,5.064571754079575,20.25828702167552,2.4868995751603507E-14,0.08132610340328983,0.010165762925411229,-2.007430591112582,33.056754484525065,4.132094310565633,2.798580733689445,47.14902418556531,23.49117875944932,38.74380497460086,47.02402418556531,5.878003023195664,23.491178759655618,-0.16666666666666785,0.17163714812795405,0.021454643515994257,-1.4098981075398065,43.999564698125766,5.499945587265721,3.027343792515927,0,11.89,12.110114161591724,-0.18112604134431037,0.04340033826891822,5.117889281922837,7.339208172934398,7.0,23.0,22.0,22.0,6.0,1.0,1.0,0.0,0.0,1.0,17.491311999999997,3.516410378856839,3.2601926448814247,2.8232373176754804,2.3441127849015007,1.9207376285552453,1.4940568112851982,1.172188343293298,0.7655527080955363,1.9019380348110184,1.72467366957715,1.474847658918473,1.1641582565722741,0.8824727807319522,0.6748199370989544,0.5372447780224676,0.2649489376627196,3.541383160047556,3.291623903460881,2.869140784110707,2.4053370906104172,1.9950426921134732,1.5912239129438384,1.292051298361531,0.9002374438600521,1.8438008787624398,1.6571526903542806,1.3848638321974047,1.057160998676931,0.7609940592988935,0.5340475500943772,0.3822886677840033,0.09842039319662484,3.6531455101390122,3.4298351839427266,3.069028381224379,2.6661871074767736,2.307265261003014,1.9882279995309566,1.7649586258647783,1.426151911228367,1.6758140259844365,1.457393085745485,1.1082969452007012,0.7162114964225249,0.3662601369006518,0.06117741654063995,0.1506631845258227,0.4810373562795761,3.559889258705195,3.3147856092074575,2.902899550168071,2.4500786831834067,2.0491193657120355,1.661310387421979,1.3774236666622197,0.9958686588629776,1.8070237174607493,1.6140425118023494,1.3264675959136698,0.9867534693396569,0.6804731588299096,0.4395870274373676,0.2774831286229951,0.014673393555218536,3.7086378078532856,3.497027259730973,3.164338756879871,2.786888017016633,2.4491216959091737,2.162581267119153,1.9655462463463853,1.6462824257720086,1.6245387037212045,1.3948344727960524,1.0188291094093198,0.6016375244814546,0.23071334909323263,0.10739453214788242,0.3467215071843781,0.697172227238206,3.600434655644112,3.34625452676348,2.9512773541740898,2.538830201835671,2.13310262851098,1.731107365695125,1.460951896718655,1.1564375915586453,1.812706100368023,1.5297878773181088,1.2408414017608222,0.8873628916036219,0.5643581426645833,0.3299850927094316,0.1639777966556435,0.18205165360806091,0,0,0,2,0,2,4,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.242640687119286,3.914213562373095,2.414213562373095,1.4571067811865475,0.8535533905932737,0.47855339059327373,0.25,0.125,0.7803300858899107,0.5591733660532993,0.40236892706218247,0.29142135623730947,0.21338834764831843,0.15951779686442458,0.125,0.125,5.983127663125442,3.52603867417337,2.0648175095102097,1.2100464628873877,0.678855364161831,0.34552203082849775,0.16666666666666666,0.08333333333333333,0.7478909578906803,0.5037198105961956,0.34413625158503497,0.24200929257747755,0.16971384104045775,0.11517401027616592,0.08333333333333333,0.08333333333333333,12.334622430286998,23.102694828841948,21.80392156862746,22.080000000000002,14.388435928143707,184.2260407185629,0.5139426012619582,0.9626122845350812,0.9084967320261441,0.92,0.5995181636726544,7.676085029940121,3.068990000000002,38.686,21.836353346989743,34.97342453153384,43.67270669397949,5.4590883367474365,21.83635334804216,2.7755575615628914E-16,3.469446951953614E-17,-28.656407870242358,32.7162929366335,4.089536617079188,2.7902985670066807,74,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,5.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,4.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.352499999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6214257369614513,0.0,0.0,1.1882964852607711,0.5805555555555556,0.0,0.6214257369614513,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.307148526077097,0.0,5.340351473922902,0.0,4.352499999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.120694444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.299375,0.0,0.0,0.212046485260771,0.2902777777777778,0.0,0.299375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.075342970521542,0.0,1.2681944444444444,0.0,2.120694444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2318055555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.32205073696145126,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.32205073696145126,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2318055555555554,0.0,1.3793055555555556,0.0,2.2318055555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,1.75,0.32205073696145126,2.2318055555555554,0.212046485260771,1.2681944444444444,5.653437573696145,0.23180555555555554,0.23180555555555554,1.3192970521541951,0.23180555555555554,0.23180555555555554,1.3192970521541951,4.0,0.5,0.0,0.0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,-0.0,0.0,0.71429,0.0,0.0,0.25,0.0,0.0,4.5,0.5625,3.5,0.4375,1.0,0.125,-2.5,-0.3125,0.0,0.0,6.82804,0.85351,7.95768,1.12964,0.1412,3.31066,0.41383,3.91421,0.60355,0.07544,-2.1E-4,-3.0E-5,-2.1E-4,-3.0E-5,0.0,7.0,0,0,0,0,0,0,0.75,0.9182958340544896,1.9992184835974094,3.375814583693912,3.772055208874201,3.5697738350294785,3.7201755214643453,22.03910001730775,47.98124360633783,81.01955000865388,90.52932501298082,85.67457204070749,89.28421251514429,0.20028426271971758,0.43603813188940094,0.7362796496509925,0.8227014306618439,0.77858299483758,0.8113862481708866,3.6666666666666674,2.585744017123748,1.209147917027245,0.812907291846956,1.0151886656916784,0.8647869792568117,0.20028426271971758,0.43603813188940094,0.7362796496509925,0.8227014306618439,0.77858299483758,0.8113862481708866,6.732876570223358,15.720644720716088,20.20180045071931,19.68512709080467,19.481262858736606,20.54885602384735,31.599000019230836,20.721640018801224,15.614912501682694,15.484461460677089,16.119295216633763,14.599248439933898,8.0,7.0,7.2,8,2,8,2.34,1.192800000000001,0.14285714285714285,4.008290259196815,0.0,0.0,7.473424936522629,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.10699999999999998,0.088,0.22700000000000004,0.17600000000000002,3.7059999999999995,6.0,5.0,4.0,3.0,2.0,1.0,0.0,0.0,0.0,36.0,2.1972245773362196,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.0986122886681098,0.0,0.0,0.0,3.8918202981106265,1.3333333333333333,0.42857142857142855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.5714285714285714,6.0,0.8571428571428571,0,4.0,7.0,0.75,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.0,0.0,0.0,0.0,0.07142857142857142,0.037037037037037056,0.025,0.020000000000000004,0.018518518518518517,0.020408163265306124,0.0,0.0,0.0,0.0,0.1923922902494331,21.836353346989743,34.97342453153384,43.67270669397949,5.4590883367474365,21.83635334804216,2.7755575615628914E-16,3.469446951953614E-17,-28.656407870242358,32.7162929366335,4.089536617079188,2.7902985670066807,0.0,144.28787700693348,4.0,3.295836866004329,3.8918202981106265,4.51085950651685,5.1298987149230735,5.75890177387728,6.385194398997726,7.016609683894219,7.645397699428633,8.27715777243181,66.91167671418455,2.70805020110221,0.0,3.6635616461296463,0.0,4.762173934797756,0.0,5.926926025970411,0.0,7.126890808898808,7.492760300922379,112.12520051199999,4.671883354666666,14.83110795092203,1.8538884938652538,0.0,0.0,0.0,84.0,5.0,4.481000000000001,26.0,1.2146923961290623,2.111932660082032,2.890920841112511,3.6654151069505665,4.990101339049039,6.0061530735852715,7.37090927342483,8.438627766012562,9.588960406947496,0.0,74.59227906456528,68.07188782042608,69.58777094946225,88.00649251086897,98.17803422717179,106.87380674976056,104.41179010601056,49.349556736450545,9.742997466924699,0.0,279.2909860351518,317.2670419857941,338.45753506085464,444.29540872851584,524.2344212914003,603.560627284512,672.0783530460217,569.848057877561,298.06079464786507,0.0,8.837359935443262,15.014560233085747,20.220778600064154,25.736131064674364,34.77849952089142,41.81726902112089,51.19502828725412,58.16212997524913,64.4230852915021,0.0,2.111787695805726,2.6676829872658026,2.980062525550952,3.919137377923501,4.785998177022442,5.60792604576835,6.486993419604033,6.211202138421265,4.263375541014976,0.0,174.06638714905688,327.3965425686912,473.7173127673478,592.6354887376807,826.5390761828374,997.6091344577715,1232.7640820495885,1443.55876465073,1773.1680438062183,0.0,2.6657316826696276,3.716805757186243,4.4651737193350725,5.85340461006207,7.715169927467694,9.449570839047317,11.396242931849391,12.11505753967501,9.588960406947496,0.0,0.4376644434329258,0.5639577046632955,0.6364658016146616,0.8364625537733101,1.0283783514905773,1.2082447648650387,1.405776480027205,1.3699922200956391,0.9819095456714236,0.0,378.5967340761472,183.4849674660122,11.00428910227839,117.80664836681059,-57.09438855993037,-7.368723074152152,260.7900857093366,240.57935602594256,18.373012176430542,0.7626796018450822,0.3696287615185551,0.022168038114734043,0.2373203981549176,-0.11501611507752194,-0.01484422414264854,187.9366993772565,91.08255847756455,5.462566331751174,58.47961872355294,-28.341847599661957,-3.657859058294599,0.11737884779638305,0.18783266385879152,1.9708653473662987,1.7012401857736323,496.4033824429579,0.0,1.0,0.0,457.31826837259484,21.38500101408917,7.704412315532065,617.531343331976,24.85017793360796,8.515686573117925,685.5029438126361,26.182111141247493,8.81731672726046,3.027347361021096,3.027347361021096,996.237696249329,972.1569251006345,43.035756710762485,1.024770456833604,23.1490688764905,22.58951623958584,4.408150500571074,5.629470501743481,10.254204902380293,0.8215220950539671,6.526809115770224,5.867358291383178,3.03230329358619,25.36948526586809,11.084803912239598,2.477963702102685,4.345160566194629,7.262065217461217,13.363345391484696,1.4045054202491634,1.6887041140829677,6.229803329571098,3.6949008263578182,4.534128050221169,1.3572072442841165,0.49518613568528796,3.7366022313194014,4.127799287748758,0.0031290719508542185,0.004755429798394741,1.3963705186357315E-24,7.908379240946928E-68,8.638736434607232E-133,1.8200733084850166E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.5477578192290811,5.860969511028383,0.2502395780754694,6.150572585884205,0.08596041006541094,0.081374569386566,0.9242099051176069,0.2108845841306598,4.284221055140491,0.038660725695787844,0.06746955071968956,0.577930553143079,0.1356372290820791,2.1350125664549595,0.0491752285634362,0.024265705007728535,0.1812263052420342,0.10522744626933651,2.2108971121237186E-5,3.349288089916795E-5,9.834751737385181E-27,5.569936162487345E-70,6.084332705768722E-135,1.2818925130473155E-221,0.0,0.0,0.0,0.0,0.0,0.0,1.7682096577035304,5.861396573412457,0.8105981299331945,7.521285263314912,0.8338308488435369,0.3447258766146331,1.6222200640028122,0.9433904263157206,5.4283143305655885,0.17699505205592111,0.2645942093640271,1.7236746979862856,0.5528037139071924,2.604007599819142,0.20139328734235692,0.08941714082006269,0.6501655584152373,0.4986140841615237,2.2983772076668574E-4,3.490216421162377E-4,1.0248569573699976E-25,5.804302925647232E-69,6.340343783928381E-134,1.3358308330275628E-220,0.0,0.0,0.0,0.0,0.0,0.0,6.1607758797539995,5.86665691282758,2.8593270322943556,23.290006099732075,9.881792922437498,2.2513502382958555,4.135633786736547,6.58035794319091,12.556654281619192,1.271197984598734,1.5421179157222886,5.88099662710745,3.367565673982286,4.379927431950215,1.2365253962497467,0.4553993389078579,3.428101303842295,3.73023209563166,0.0027879954284786117,0.004237002335787408,1.2441409924885105E-24,7.046223524842234E-68,7.696958635376817E-133,1.6216525500930545E-219,0.0,0.0,0.0,0.0,0.0,0.0,2.6060115839134057,5.861950144898515,1.1974995416322474,9.220060458639452,1.7917784478792214,0.5925659412761825,2.101464938026895,1.6560934387417092,6.424259681555449,0.31366380891347223,0.4396432492352446,2.5125448102467693,0.931029359467858,2.9321088730983003,0.3399665218192798,0.14333822157164272,1.0483235563725277,0.8956564533806544,4.990643602091684E-4,7.581216452614938E-4,2.2261262595867094E-25,1.2607721563931811E-68,1.3772073937450662E-133,2.9016030719052436E-220,0.0,0.0,0.0,0.0,0.0,0.0,7.882065435405396,5.870307459680917,3.6757771186191475,34.09404838270259,16.14041226011439,3.407727260130523,5.121055909952853,10.070020975700338,16.635007634613952,1.9545037074148384,2.285192596624861,7.524460259882705,5.031135990632331,5.113384480376158,1.8501418102530516,0.6549400241941822,4.981988121901252,5.771610780901803,0.0045632268869355876,0.006935347438186617,2.0364751683325678E-24,1.15336278810012E-67,1.2598785207836938E-132,2.6544058670731316E-219,0.0,0.0,0.0,0.0,0.0,0.0,3.7519355603244935,5.40354421695435,1.7627247175968426,12.160454202976055,3.6507970838571984,0.9436809952332933,2.8208297073020905,2.7106508692674196,8.013232281939912,0.5197105249716938,0.6675610018207113,3.9403631432134665,1.4587227479689646,3.8391546167390516,0.5273017956252559,0.24932645671306317,1.8340665495358814,1.6713042908437221,0.0010220378989314687,0.0015527934035574663,4.559577203708511E-25,2.5823279154112415E-68,2.820811897014606E-133,5.943096517502094E-220,0.0,0.0,0.0,0.0,0.0,0.0,9.989607667746377,0.7919913414933198,0.39182945204502106,0.8940503536904352,0.07088167649146579,0.546165649706789,0.5649472535415317,0.4999819866824308,11.173428461284718,12.13623080972994,26.409689598582467,0.8410755305356529,1.6110948899307518,8.612213397846084,0.29934103610885704,0.08447225140684486,0.9573352435536637,0.03327480526441087,0.406489372572335,0.08133257969259616,0.023237443291350267,8.996026685361786,3.3307679482726518,12.544563158573604,0.9360028653304957,0.5110593955562814,9.15887679202488,0.4953986476849072,0.20654455512502,0.9288149258197987,0.050239092483627304,0.4594293881239562,0.22233874521594005,0.1389273354356783,9.860819994834808,6.531333202831073,17.329306811487143,0.8932223887296981,0.8206954687755745,9.955469855338762,0.7798321191225532,0.3842201537521021,0.8953145414476833,0.07013180154063416,0.5424517512149102,0.5478951954011138,0.480751322000877,11.119522128213417,11.888314529352296,25.990766381362118,0.842971812171525,1.571098268616901,9.402721106222693,0.5826156557568607,0.26095720527372646,0.917670441261337,0.056861110721483844,0.4841022496784049,0.3070884193595203,0.22176795411936873,10.24629396725328,8.083918098323993,19.759780657239073,0.8765056618920056,1.0129586231572938,10.096495059953135,0.8300476044192684,0.41565213340671164,0.8901711917282625,0.0731822737325758,0.5578770516090825,0.6199554111730554,0.5626265624120776,11.342194797779115,12.922212306750922,27.747809543278212,0.8352567875923937,1.7404590251942156,9.98948060373715,0.7798869998208057,0.38457335109481977,0.8956009937967369,0.06992030915274679,0.5461556457864757,0.547860791833671,0.48163559696994146,11.153940954652775,11.932277846288967,26.08230135405698,0.8434014906951054,1.5756520345900882 +UMLCN0315,L,"2,6-dimethylheptane",CC(C)CCCC(C)C,Olefins,,C9H20,NREL (2014),"20% Blend, CFR",PubChem,,51,0,1.3689999999999998,1.8741609999999993,40.35079999999999,29.175859999999968,0,0,29,9,20,0,9,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1318.698368999998,1396.2547279999994,1676.8306889999976,1398.4679579999968,1086.908092999995,871.8622120000002,796.1714920000003,302.76288000000034,36.578304,4433.327004362573,5682.867541405009,7720.006773323471,8106.049164400074,6654.923755926631,5088.6180112147695,4306.947079698876,3126.683726063614,1119.0147995134885,202.2339240000001,202.6767680000001,382.170564,505.42677599999996,558.6842119999998,374.86695999999995,312.0057760000001,251.4447360000002,241.86470400000016,33.992358096979984,44.58208620000001,65.17562287273505,74.17297073637594,65.12729730245013,48.10273615577209,40.08763158122505,32.060418298188,16.00606457456401,4839.502245294981,4076.805802978001,8508.590416560737,11629.936789063779,13861.040622197854,9053.567730722774,7580.079488372627,5893.95296940059,6657.035472872964,46.30555555555556,54.83333333333333,85.58333333333334,112.33333333333331,106.11111111111111,75.33333333333334,65.0,60.0,36.0,45.472357551724066,49.86624028571426,31.05242016666662,19.42316608333329,13.418618432098704,16.145596518518524,17.692699822222227,8.41008000000001,1.016064,152.87334497801973,202.95955505017892,142.9630883948791,112.58401617222324,82.15955254230408,94.23366687434758,95.70993510441947,86.85232572398928,31.083744430930235,6.9735835862068996,7.238456000000004,7.077232666666667,7.019816333333333,6.897335950617281,6.94198074074074,6.933461688888891,6.984576000000006,6.718464000000004,1.1721502792062064,1.5922173642857147,1.206955979124723,1.0301801491163325,0.804040707437656,0.8907914102920758,0.8908362573605566,0.8905671749496666,0.4446129048490003,166.87938776879244,145.60020724921432,157.5664891955692,161.52689984810803,171.12395829873893,167.65866168005138,168.44621085272505,163.72091581668303,184.917652024249,1.5967432950191571,1.9583333333333333,1.5848765432098768,1.560185185185185,1.3100137174211248,1.395061728395062,1.4444444444444444,1.6666666666666667,1.0,0.040157381774309824,-0.006709071267021227,-0.002631797782464295,-0.02336861917489102,0.009493957782380477,-6.686683259345431E-4,0.011099867669201954,-0.02659762021382518,0.019303260425398906,751.4441937931031,-57.58193055885778,-84.21357344233007,-462.9587216932216,197.21811216408972,-13.24384402853766,107.2463456658737,-481.9607587776452,419.7722737740774,1397.3425661744839,-107.07605871068861,-156.59873586438198,-860.8915120339382,366.7355010841084,-24.627493503458208,199.4291593486575,-896.2266114084641,780.5844680009199,0.14720275862068952,-0.011279904875145689,-0.016496860879902535,-0.09069043519619338,0.038633674197381805,-0.0025943781212846885,0.02100882282996369,-0.0944128038049937,0.0822305065398299,6.246771423200696,-0.4786798025440945,-0.7000692112207507,-3.8485856124546576,1.6394783237135755,-0.11009635458515027,0.8915411322384081,-4.006549947294227,3.4895757605465665,33.932561514511015,-2.6001962846371285,-3.8027870662816223,-20.905578128480457,8.905672274881438,-0.5980451454664343,4.842865580136203,-21.763642902410517,18.955430915003024,3.660919540229888,-1.8124587131721503,1.2836900515259604,-2.4914783987316627,0.8829105562161438,-0.4778042013476034,2.6324811732065028,-3.4756242568370963,1.6278240190249698,0.0013847373025624077,-2.3960968810790096E-4,-4.873699597156102E-5,-3.245641552068197E-4,1.1720935533803059E-4,-1.2382746776565613E-5,2.466637259822656E-4,-7.38822783717366E-4,5.36201678483303E-4,25.911868751486313,-2.056497519959206,-1.5595106193024089,-6.429982245739189,2.4347915081986384,-0.24525637089884555,2.3832521259083044,-13.387798854934589,11.660340938168817,48.18422641980979,-3.824144953953165,-2.8999765900811476,-11.956826556026918,4.527598778816153,-0.45606469450848536,4.431759096636833,-24.895183650235115,21.68290188891444,0.00507595719381688,-4.0285374554091747E-4,-3.0549742370189877E-4,-0.001259589377724908,4.7695894070841734E-4,-4.8044039283049784E-5,4.668627295547487E-4,-0.0026225778834720473,0.0022841807372174974,0.21540591114485158,-0.01709570723371766,-0.012964244652236124,-0.05345257795075913,0.020240473132266363,-0.0020388213812064866,0.019812025160853515,-0.1112930540915063,0.0969326600151824,1.1700883280865868,-0.0928641530227546,-0.07042198270891893,-0.29035525178445076,0.10994657129483257,-0.011074910101230264,0.10761923511413785,-0.6045456361780699,0.5265397476389729,0.12623860483551338,-0.0647306683275768,0.02377203799122149,-0.03460386664905087,0.010900130323656096,-0.008848225950881543,0.058499581626811174,-0.0965451182454749,0.045217333861804716,-0.17303620525316366,-0.03519584247595188,-0.23438680723500777,0.08464374803880764,-0.008942307507461361,0.17813033961446917,-0.5335472528617525,0.38722267212061134,-0.0793650793650784,-0.06018518518518487,-0.24814814814814787,0.09396433470507518,-0.009465020576131838,0.09197530864197513,-0.5166666666666664,0.44999999999999907,-0.07936507936507951,-0.060185185185185244,-0.24814814814814906,0.09396433470507559,-0.009465020576131638,0.09197530864197545,-0.5166666666666678,0.45000000000000073,-0.07936507936505872,-0.060185185185176696,-0.24814814814814393,0.09396433470507003,-0.00946502057613353,0.0919753086419726,-0.5166666666666653,0.4499999999999806,-0.07936507936507603,-0.06018518518518373,-0.2481481481481466,0.09396433470507447,-0.009465020576132023,0.09197530864197476,-0.516666666666665,0.44999999999999624,-0.07936507936508758,-0.06018518518518859,-0.2481481481481494,0.09396433470507749,-0.009465020576131,0.0919753086419763,-0.5166666666666667,0.45000000000000756,-0.5127644464379156,0.1883103668817952,-0.27411477411477325,0.0863454593613322,-0.07009128437699878,0.46340484911913493,-0.7647828362114065,0.35818942961800065,1.7041222142856862,1.1293491417820551,1.3362174745672033,0.717326055336402,0.9128933661361466,0.7125533030529748,1.711875424554081,0.0,1.611111111111113,1.253086419753088,1.3157407407407424,0.7240054869684508,0.9189300411522645,0.8019753086419761,1.5037037037037053,0.0,1.6111111111111123,1.253086419753087,1.3157407407407413,0.7240054869684504,0.9189300411522641,0.8019753086419761,1.5037037037037047,0.0,1.6111111111111103,1.2530864197530855,1.3157407407407398,0.7240054869684495,0.9189300411522627,0.8019753086419749,1.5037037037037027,0.0,1.6111111111111098,1.2530864197530855,1.3157407407407387,0.7240054869684495,0.9189300411522626,0.8019753086419745,1.5037037037037027,0.0,1.611111111111111,1.2530864197530858,1.3157407407407393,0.7240054869684497,0.9189300411522634,0.801975308641975,1.5037037037037033,0.0,2.1245421245421228,0.6609686609686602,1.3809523809523798,0.6111337222448329,0.9206349206349199,0.4532356532356529,2.5494505494505475,0.0,49.579145339317385,24.789572669658693,39.15799292805505,49.579145339317385,5.508793926590821,24.78957266971565,0.0,1.1102230246251565E-16,1.2335811384723961E-17,-33.06312051270939,2000018.1858486992,222224.24287207768,13.057800148266507,49.579145339317385,24.789572669658693,39.15799292805505,49.579145339317385,5.508793926590821,24.78957266971565,0.0,1.1102230246251565E-16,1.2335811384723961E-17,-33.06312051270939,2000018.1858486992,222224.24287207768,13.057800148266507,49.579145339317385,24.789572669658693,39.15799292805505,49.579145339317385,5.508793926590821,24.78957266971565,0.0,1.1102230246251565E-16,1.2335811384723961E-17,-33.06312051270939,2000018.1858486992,222224.24287207768,13.057800148266507,49.579145339317385,24.789572669658693,39.15799292805505,49.579145339317385,5.508793926590821,24.78957266971565,0.0,1.1102230246251565E-16,1.2335811384723961E-17,-33.06312051270939,2000018.1858486992,222224.24287207768,13.057800148266507,49.579145339317385,24.789572669658693,39.15799292805505,49.579145339317385,5.508793926590821,24.78957266971565,0.0,1.1102230246251565E-16,1.2335811384723961E-17,-33.06312051270939,2000018.1858486992,222224.24287207768,13.057800148266507,49.579145339317385,24.789572669658693,39.15799292805505,49.579145339317385,5.508793926590821,24.78957266971565,0.0,1.1102230246251565E-16,1.2335811384723961E-17,-33.06312051270939,2000018.1858486992,222224.24287207768,13.057800148266507,62.298844257069106,31.015162869275287,49.73618855334939,62.08999652044358,6.898888502271509,31.015162869275382,-0.2685185185185368,2.220446049250313E-16,2.4671622769447922E-17,-32.43928805020544,2000017.9912669596,222224.2212518844,13.057800060705514,0,11.889999999999999,12.110134441590947,-0.1647216776090486,0.05601203414325312,5.749051044655035,7.649411755133028,8.0,28.0,28.0,28.0,8.0,0.0,0.0,0.0,0.0,0.0,21.864139999999995,3.541910422514307,3.3243785260841667,2.817756486012099,2.3335527931030478,2.3335527931030455,2.129651587035608,1.4693900424564628,1.0060898823357585,1.9408493304331775,1.791374782859008,1.4674034994770444,1.249629722584356,1.249629722584356,1.0318065900563742,0.656889490776595,0.38516941098406493,3.568834115393977,3.355738049381551,2.8635792150135613,2.4054545878412887,2.405454587841287,2.1978846583105174,1.5661721221556606,1.126073003787195,1.8824861260613481,1.723341423128063,1.3778480404336306,1.1345406859483518,1.1345406859483504,0.9157810427802993,0.5142269022223269,0.2278315398920903,3.687161070550702,3.4943007648444437,3.063071074566317,2.7042369872335206,2.7042369872335197,2.487337738190711,1.9635724936630223,1.6023379263084385,1.7107710760041301,1.5220241787367885,1.1022428804745819,0.7603185604308981,0.7603185604308978,0.5425440237720969,0.03690741254259055,0.31234705357316117,3.5886655800594642,3.3788884190272572,2.897278233307949,2.4575399160416938,2.4575399160416933,2.2476934681476193,1.636104302285888,1.2117477430339503,1.8453193850235263,1.6798809077222754,1.3196992253825812,1.0582626705327125,1.0582626705327116,0.8391462889399188,0.4186321113486265,0.12147069701967626,3.744752059489491,3.5619315701798877,3.158131196769815,2.838982085149649,2.838982085149649,2.6203526349885244,2.1389911969970865,1.8052667068598842,1.657189202707903,1.4591269771621662,1.0129841498158383,0.6313372621875617,0.6313372621875613,0.4159445138871359,0.1324165993515439,0.5104550479072606,3.569896370345626,3.41445078795781,2.9523823704184635,2.6473898468255532,2.6473898468255532,2.3044219070447416,1.7072271266542736,1.3020029774644533,1.8519046922050693,1.632619812374053,1.2334893267913634,0.8671700666057746,0.8671700666057738,0.7441204022522324,0.30705501099165394,0.004216190510930239,0,0,0,0,0,4,3,2,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8164965809277261,0.0,0.0,0.0,0.8164965809277261,0.0,0.0,0.0,0.5773502691896258,0.4082482904638631,0.23570226039551587,0.5773502691896258,0.4082482904638631,0.23570226039551587,7.276020881938894,4.125897657686229,3.718597360017603,1.5629488288431148,0.9343477111254841,0.47140452079103173,0.47140452079103173,0.0,0.8084467646598772,0.5157372072107786,0.41317748444640034,0.2604914714738525,0.18686954222509683,0.11785113019775793,0.11785113019775793,0.0,7.276020881938894,4.125897657686229,3.718597360017603,1.5629488288431148,0.9343477111254841,0.47140452079103173,0.47140452079103173,0.0,0.8084467646598772,0.5157372072107786,0.41317748444640034,0.2604914714738525,0.18686954222509683,0.11785113019775793,0.11785113019775793,0.0,14.418278037858748,27.878368536052434,26.254901960784323,26.599999999999994,16.985544910179637,223.53985628742518,0.4971820013054741,0.9613230529673253,0.9053414469235974,0.9172413793103447,0.5857084451786082,7.708270906462937,3.468700000000003,43.52700000000001,24.789572669658693,39.15799292805505,49.579145339317385,5.508793926590821,24.78957266971565,1.1102230246251565E-16,1.2335811384723961E-17,-33.06312051270939,2000018.1858486992,222224.24287207768,13.057800148266507,76,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,3.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7999999999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.167962962962964,0.0,4.213981481481482,0.0,0.0,0.0,1.7847222222222219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.291990740740741,0.0,1.4009722222222223,0.0,0.0,0.0,0.8923611111111109,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.291990740740741,0.0,1.412037037037037,0.0,0.0,0.0,0.8923611111111109,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.166666666666666,1.6851851851851851,0.2,2.291990740740741,0.2,0.8923611111111109,6.750206018518518,0.4409722222222224,0.2919907407407408,2.3359259259259266,0.4409722222222224,0.2919907407407408,2.3359259259259266,4.5,0.5,0.0,0.0,0.42414,0.7,0.42414,0.42414,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.44444,0.22222,0.0,4.0,0.44444,4.0,0.44444,0.0,0.0,-4.0,-0.44444,0.0,0.0,10.3323,1.14803,10.3323,0.0,0.0,4.12588,0.45843,4.12588,0.0,0.0,0.28812,0.03201,0.28812,0.03201,0.0,8.0,0,0,0,0,0,0,1.0,0.8935711016541907,1.3685517054754783,2.3569697877834064,2.5469620293119215,2.3569697877834064,2.0938103087850197,25.91356194797153,39.68799945878887,68.35212384571878,73.86189885004572,68.35212384571878,60.720498954765574,0.18393878085369603,0.2817120336304526,0.48517476502015655,0.5242840661308592,0.48517476502015655,0.4310042198364004,3.9644098934733822,3.4894292896520946,2.5010112073441664,2.3110189658156512,2.5010112073441664,2.764170686342553,0.18587583320595183,0.2846787324139825,0.49028412214145317,0.5298052818246655,0.49028412214145317,0.43554310899284393,6.65913786016461,12.358905106020062,14.399271572173406,14.590750509071633,12.310843610729453,12.292681238049338,35.683323207831734,26.142133731356516,26.52663456009659,25.81390883954212,30.090263162868922,25.05626184560812,9.0,4.839506172839506,8.0,9,0,7,2.45,1.3767000000000005,1.4422495703074083,4.160167646103808,3.577708763999664,0.0,2.381101577952299,3.3019272488946267,0.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.121,0.10400000000000001,0.049000000000000044,0.010000000000000009,3.8089999999999997,9.0,6.0,5.0,4.0,4.0,0.0,0.0,0.0,0.0,45.0,2.1972245773362196,2.302585092994046,1.9459101490553132,1.791759469228055,1.6094379124341003,1.6094379124341003,0.0,0.0,0.0,0.0,3.828641396489095,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.5,8.0,1.0,1,3.0,6.0,1.0,2.5,0.666666666666667,0.375,0.16000000000000003,0.22222222222222227,0.0,0.0,0.0,0.0,0.0,0.3125,0.07407407407407411,0.0625,0.03200000000000001,0.055555555555555566,0.0,0.0,0.0,0.0,0.0,0.5366296296296297,24.789572669658693,39.15799292805505,49.579145339317385,5.508793926590821,24.78957266971565,1.1102230246251565E-16,1.2335811384723961E-17,-33.06312051270939,2000018.1858486992,222224.24287207768,13.057800148266507,0.0,164.2203203336001,4.169925001442312,3.5553480614894135,4.174387269895637,4.90527477843843,5.54907608489522,6.282266746896006,6.932447891572509,7.666221925662725,8.318010277546872,9.05193063522854,73.43496367162535,2.833213344056216,0.0,3.970291913552122,0.0,5.220355825078324,0.0,6.517671272912275,0.0,7.838737559599282,8.153061946801051,128.15650064,4.419189677241379,16.498299849904463,1.8331444277671625,0.0,0.0,0.0,108.0,6.0,5.339,34.0,1.230142857142857,2.1218302874077626,2.890664567738969,3.496157035776553,4.497980760032525,5.584881153452347,6.542015021500479,7.098691092076143,0.0,0.0,72.40063675514281,74.84180569317765,63.73389296247741,58.607400573900975,87.8397635233674,112.48053013810713,57.10423111769176,7.212724465779252,0.0,0.0,275.5059646900563,328.99914401927003,346.174960633967,323.99696808397454,475.3013855540394,578.8715140230165,583.9178368681903,220.65389970021604,0.0,0.0,8.939719116571426,15.075164278298233,20.335130824210744,24.210997692522685,31.3736474613583,38.844439048745585,45.76825365326067,47.69230054923426,0.0,0.0,2.098837640735713,2.717794009755746,3.101578633704243,3.0456017047440764,4.34503048835025,5.262014009586393,5.9518779530403565,3.1561696670736934,0.0,0.0,176.90608381034693,330.11915104029976,463.86958543272874,591.1135817968728,742.9540073388868,931.6721245678406,1065.0864974247468,1312.6732891921727,0.0,0.0,2.4602797619047614,3.490039027194548,4.59689514682798,4.747495743723814,6.545528666533812,8.374885942985697,11.091380811970852,7.098691092076143,0.0,0.0,0.4355678571428573,0.5731018185868579,0.6631270742236449,0.6583123971311402,0.933590153270723,1.130644028357027,1.295895070970373,0.7269059678285971,0.0,0.0,436.644988734077,216.57498818967068,10.618594693217808,131.92709287206895,-65.43555821744872,-7.5527059802626,304.71789586200805,282.01054640711936,18.17130067348041,0.7679676910983894,0.38091034575224486,0.01867589886443525,0.23203230890161045,-0.11508753302237656,-0.013283638477160428,248.26415016742635,123.13849185882756,6.037436488454825,75.0100618145196,-37.204831546754974,-4.294257760957095,0.05924907722988761,0.12611572251670236,1.1363863905070808,7.214462140373067,568.5720816061461,0.0,1.0,0.0,496.6525531691995,22.285702887034986,7.919253115729209,690.3932748049522,26.27533586474114,8.838234441616704,844.0742224468322,29.052955485575513,9.450618073836914,1.8335454244069433,1.8335454244069433,917.9182604516033,888.6688235535868,131.94738977501743,1.032913765086362,6.956698893526725,6.735023899061965,4.8295541274171425,4.466160583139281,8.836781533055184,0.9786081061249654,5.5780110687185465,7.588238110632114,3.3902520046511895,28.154877759645302,9.150111028897914,6.313279276067899,6.936952723189256,14.43765780438016,12.204196515926837,5.679809238111668,5.658703486030016,5.950749019440626,5.9692402331583265,6.745205453741506,3.0372433439752244,0.28080573659735913,0.1393291103410531,1.5778105314109849E-19,3.4463980683503354E-59,1.4519510040109945E-120,1.1798163762515322E-203,1.849067707997644E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.46812381628378535,7.587802416958125,0.20602761922241605,9.582225600289984,1.0604990947587334,0.17972965727262205,0.5993809989288483,0.6976608927217991,3.3911351940084775,0.9828673339855338,0.05066524288344969,1.2706458373580005,0.3583052935691657,1.0511119169166285,0.11671360852249962,0.0019778041389865815,9.81306316416483E-4,1.1112648582855685E-21,2.427326339111244E-61,1.0226209640437398E-122,8.309543205962048E-206,1.3023135056976E-310,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5111607434362369,7.587832318325053,0.7168033700117552,11.798530856998363,1.6179525833272743,0.810779398751539,1.5267241622439545,2.5103924604862025,4.776122186308098,1.721368175523751,0.4417718248550177,1.8573758489184706,1.2506503475773456,1.6772604064833898,0.46781727277280066,0.02060972286716525,0.010225968408206585,1.158023661304491E-20,2.5294611931983685E-60,1.0656498890243356E-121,8.659184689761188E-205,1.35711108183596E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.265187432673017,7.588190553857504,3.1460744334356052,26.460772194868362,8.267917472943953,5.718120291865446,6.419389735638845,13.245605541499643,11.518226582774826,5.314350386957343,5.048779881856412,5.5338454777119495,5.536251688369976,6.206949477215467,2.7717640249113042,0.2501929015140351,0.12413972889632394,1.4058007773082865E-19,3.0706786315261807E-59,1.2936622043122412E-120,1.0511951503658868E-203,1.6474860380569027E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2271728949429015,7.5878703727959245,1.108763994776505,13.787536450521957,2.325401393663451,1.4283447567916967,2.2720753554840054,4.049289930367863,5.849781684893782,2.293721191522334,0.934017704985492,2.3695862905890963,1.9383282094261574,2.266282005762306,0.7815959990821661,0.04476690873926751,0.02221216984429792,2.5153821351499957E-20,5.494327714995966E-60,2.314733958161821E-121,1.8808906243809905E-204,2.94782661592497E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.736256189560983,7.58843790408583,4.350241824967539,35.059934610144154,12.855833109938938,8.766301027363106,9.000385442678425,19.249710811797385,14.910306762191992,7.121405992262144,8.219684339080448,7.642404347740613,7.674012379644651,8.953478435937518,4.118619871860477,0.4095285597624515,0.2031984130634899,2.301088374947493E-19,5.026247684777774E-59,2.1175340827109527E-120,1.720651303764125E-203,2.6966914738230284E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.5028104286401467,6.401588560303977,1.5713090743871432,17.924334793014957,3.956323585479447,2.829531391500256,3.3631338787184104,6.525707127386016,7.929989631428451,3.584820547226118,2.024798393951651,3.9841936670344054,3.193268514076632,3.9709293211694705,1.5061098018083003,0.09888081699171568,0.04906215260892535,5.555966078486211E-20,1.213584925408716E-59,5.1127751813743024E-121,4.154503747312484E-204,6.511147731579673E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.443403432238201,1.1419894439429985,0.8627369265731555,0.7878176514963068,0.12086936439104397,0.5981137088321214,0.46942600543162444,0.5270025726892752,9.448129802754355,15.907223610044742,32.68886588340467,0.6817264772444602,1.594542286953021,6.5334049213323855,0.6289195502987237,0.40058843566619257,0.8638741449777155,0.08315837535189542,0.46033386311752206,0.14237480968650792,0.11306747678385114,7.562912907297302,6.978130440868227,16.187055656147393,0.7958112174665732,0.715776149587881,6.9068293134119,0.8395637475540441,0.5905079608455288,0.8284648330766866,0.1007045358170296,0.5146627869789113,0.25371744016202125,0.24639157432804099,8.336901021811473,10.373030272423174,22.134123684957444,0.74269724961503,1.0147718014689735,7.422048113242565,1.1299583227641996,0.851916382088134,0.7892502157675265,0.1201581876650401,0.5946708869490085,0.4595870858765999,0.5138454079041017,9.403922818094898,15.672199420072081,32.22080845972867,0.6838753236512898,1.56810338072971,7.068067913441391,0.930471183168225,0.6723909447672697,0.8151453050264754,0.10730927117715187,0.5390714133450238,0.31163686095754106,0.3197312936569906,8.670930041376886,11.954778774060461,25.047777637393445,0.7227179575397131,1.1704395679595554,7.509897607368049,1.1794481609603347,0.8964218242827053,0.783442487501662,0.12304159782357735,0.6088982211870525,0.5007266210914388,0.569018590119012,9.585767592611088,16.646854107478795,34.172709313526454,0.675163731252493,1.6786434323975032,7.4456422366103014,1.1332630529279566,0.854523180441824,0.7892827364202214,0.1201326809795961,0.5984866253315668,0.4622792777371782,0.5170314623285045,9.433428469980083,15.768744684795747,32.4125297332536,0.6839241046303322,1.5777973653972497 +UMLCN0316,L,1-undecene,CCCCCCCCCC=C,Olefins,,C11H22,NREL (2014),Unknown,PubChem,,65.5,0,-1.0016000000000007,1.0032025600000014,40.878899999999994,34.02944599999997,0,0,33,11,22,0,11,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1609.2587389999976,1708.9971459999992,1782.7462889999977,1628.5785679999956,1433.853966999996,1237.0972379999964,1040.3405089999983,843.5837800000002,646.8270510000002,5342.528296723088,6759.374577644706,8659.38508736536,8699.835691708658,7755.204835615379,6748.406490660255,5741.608145705135,4734.809800750015,3728.0114557948973,230.75188400000013,231.993064,426.0738600000001,571.8605120000001,522.4125399999997,459.52763999999974,396.6427399999999,333.75784000000004,270.8729400000002,40.459383906678035,52.38697482000001,73.86368294818796,79.29408554426188,71.161782494564,62.1402536351681,53.11872477577209,44.09719591637607,35.07566705698001,5462.926261523479,4636.639610583801,9331.940389904092,13553.637343305865,12444.517492315767,10965.56233727717,9486.607182238575,8007.652027199978,6528.696872161381,57.0,65.75,99.0,118.75,108.5,96.25,84.0,71.75,59.5,48.76541633333326,53.40616081249998,29.71243814999996,19.860714243902386,19.118052893333278,18.74389754545449,18.251587877192954,17.574662083333337,16.585309000000006,161.8947968703966,211.23045555139706,144.32308478942267,106.09555721595925,103.40273114153838,102.24858319182205,100.72996746851113,98.64187084895865,95.59003732807429,6.9924813333333375,7.24978325,7.101231000000001,6.97390868292683,6.965500533333329,6.962539999999996,6.958644561403506,6.953288333333334,6.945460000000005,1.2260419365660011,1.6370929631250004,1.2310613824697993,0.9670010432227057,0.9488237665941865,0.941518994472244,0.9319074522065278,0.9186915815911681,0.8993760783841028,165.54322004616603,144.8949878307438,155.53233983173487,165.28826028421787,165.92689989754356,166.14488389813894,166.43170495155394,166.82608389999953,167.40248390157387,1.7272727272727273,2.0546875,1.65,1.4481707317073171,1.4466666666666668,1.4583333333333333,1.4736842105263157,1.4947916666666667,1.5256410256410255,0.06617117133795149,-0.007612276217838827,-0.0312737519994246,0.001676791684063806,0.0012149549993739246,8.867779852834295E-5,-1.4310628016083599E-5,-7.05169506043427E-5,9.6087998211035E-5,887.8173993333327,-53.80711511111257,-403.55336333333446,-26.903557555555434,2.0961010704922955E-13,2.6645352591003757E-13,2.6645352591003757E-13,3.232969447708456E-13,3.232969447708456E-13,1650.9343652209643,-100.05662819520948,-750.4247114640749,-50.02831409760475,2.1316282072803006E-14,-9.237055564881302E-14,-9.237055564881302E-14,-2.0605739337042905E-13,-2.0605739337042905E-13,0.17391733333333317,-0.010540444444442085,-0.07905333333333125,-0.005270222222222468,-4.3107878378023656E-16,-4.3107878378023656E-16,-4.44956571588051E-16,-4.44956571588051E-16,-4.44956571588051E-16,7.380444755559337,-0.4472996821550864,-3.354747616163311,-0.22364984107755542,-2.3592239273284576E-15,-3.247402347028583E-15,-3.6914915568786455E-15,-4.135580766728708E-15,-5.023759186428833E-15,40.09069304862599,-2.4297389726443965,-18.22304229483032,-1.2148694863219696,6.217248937900877E-14,6.572520305780927E-14,6.927791673660977E-14,7.283063041541027E-14,7.638334409421077E-14,6.060606060606067,-0.3996786042240592,-1.5798898071625351,-0.0521120293847567,0.013774104683196078,-0.037878787878786874,-0.08953168044077049,-0.14118457300275428,-0.1928374655647379,0.002005187010240954,-2.3788363180746335E-4,-5.2122919999041E-4,2.0448679073948855E-5,1.6199399991652327E-5,1.3436030080051964E-6,-2.5106364940497543E-7,-1.4691031375904731E-6,2.4637948259239747E-6,26.903557555555537,-1.681472347222268,-6.725889388888907,-0.32809216531165164,2.7948014273230606E-15,4.0371746350005696E-15,4.674623261579607E-15,6.735353016059283E-15,8.289665250534503E-15,50.02831409760498,-3.1267696311002964,-12.507078524401248,-0.6101013914342043,2.842170943040401E-16,-1.399553873466864E-15,-1.6205360640142635E-15,-4.292862361883938E-15,-5.2835229069340785E-15,0.005270222222222218,-3.2938888888881516E-4,-0.0013175555555555208,-6.42710027100301E-5,-5.747717117069821E-18,-6.531496723942978E-18,-7.806255641895632E-18,-9.269928574751063E-18,-1.1409142861232077E-17,0.22364984107755564,-0.01397811506734645,-0.05591246026938852,-0.0027274370863116515,-3.14563190310461E-17,-4.920306586406944E-17,-6.47630097698008E-17,-8.615793264018141E-17,-1.2881433811355984E-16,1.2148694863219995,-0.07592934289513739,-0.3037173715805054,-0.014815481540511825,8.289665250534502E-16,9.95836409966807E-16,1.2154020480106977E-15,1.5173048003210472E-15,1.958547284466943E-15,0.18365472910927474,-0.01248995638200185,-0.02633149678604225,-6.355125534726427E-4,1.8365472910928103E-4,-5.739210284664678E-4,-0.0015707312358029912,-0.002941345270890714,-0.004944550399095844,-0.11863413766024644,-0.25994044312494136,0.010197891253789655,0.008078747722241488,6.700636903905246E-4,-1.2520709944894678E-4,-7.326514335507977E-4,0.001228710745352331,-0.06250000000000173,-0.25000000000000083,-0.012195121951219466,1.0388222529871106E-16,1.5006099571269898E-16,1.7375483714101988E-16,2.503517611806861E-16,3.081252445300752E-16,-0.06249999999999971,-0.25000000000000006,-0.012195121951219457,5.681124767657252E-18,-2.797523559831222E-17,-3.239237806120363E-17,-8.580865534482306E-17,-1.0561065273208994E-16,-0.06249999999998606,-0.24999999999999362,-0.012195121951220092,-1.090602421437604E-15,-1.2393209334518226E-15,-1.4812004717713937E-15,-1.75892556022853E-15,-2.164831458742806E-15,-0.062499999999996524,-0.24999999999999825,-0.0121951219512195,-1.4064986086950946E-16,-2.2000045082530223E-16,-2.895732429666371E-16,-3.8523583216097257E-16,-5.759643623841904E-16,-0.06250000000001023,-0.2500000000000045,-0.012195121951219213,6.823502725079835E-16,8.197064961946553E-16,1.0004383694665922E-15,1.2489446952155052E-15,1.6121462482331477E-15,-0.06800781250000001,-0.14337499999999992,-0.003460365853658536,0.0010000000000000343,-0.0031249999999999143,-0.008552631578947279,-0.016015624999999922,-0.026923076923076845,1.469718200180471,1.2883813842334872,0.8222767329196267,0.8372034294012333,0.8658643244692229,0.8959636169820265,0.9369081700250629,0.9943567237422178,1.5000000000000022,1.4181818181818204,0.9578713968957886,0.9309090909090924,0.9256198347107452,0.9186602870813411,0.9090909090909103,0.8951048951048963,1.500000000000001,1.4181818181818189,0.9578713968957877,0.9309090909090914,0.9256198347107443,0.9186602870813403,0.9090909090909098,0.8951048951048959,1.4999999999999991,1.4181818181818173,0.9578713968957865,0.9309090909090902,0.9256198347107433,0.9186602870813392,0.9090909090909085,0.8951048951048947,1.4999999999999996,1.4181818181818169,0.9578713968957865,0.9309090909090907,0.9256198347107436,0.9186602870813395,0.909090909090909,0.8951048951048948,1.4999999999999996,1.4181818181818167,0.9578713968957862,0.9309090909090901,0.9256198347107432,0.9186602870813394,0.9090909090909087,0.8951048951048947,1.4437499999999985,0.912999999999999,0.7163414634146335,0.7479999999999992,0.8099999999999992,0.8915789473684202,1.003749999999999,1.1676923076923065,81.08137408976677,40.540687044883384,65.06250526401323,81.08137408976677,7.371034008160617,40.540687044883384,-7.105427357601002E-15,0.035942988137890375,0.003267544376171852,-3.6584033845500965,96.65482060463079,8.786801873148253,5.02826068946714,81.08137408976677,40.540687044883384,65.06250526401323,81.08137408976677,7.371034008160617,40.540687044883384,-7.105427357601002E-15,0.035942988137890375,0.003267544376171852,-3.6584033845500965,96.65482060463079,8.786801873148253,5.02826068946714,81.08137408976677,40.540687044883384,65.06250526401323,81.08137408976677,7.371034008160617,40.540687044883384,-7.105427357601002E-15,0.035942988137890375,0.003267544376171852,-3.6584033845500965,96.65482060463079,8.786801873148253,5.02826068946714,81.08137408976677,40.540687044883384,65.06250526401323,81.08137408976677,7.371034008160617,40.540687044883384,-7.105427357601002E-15,0.035942988137890375,0.003267544376171852,-3.6584033845500965,96.65482060463079,8.786801873148253,5.02826068946714,81.08137408976677,40.540687044883384,65.06250526401323,81.08137408976677,7.371034008160617,40.540687044883384,-7.105427357601002E-15,0.035942988137890375,0.003267544376171852,-3.6584033845500965,96.65482060463079,8.786801873148253,5.02826068946714,81.08137408976677,40.540687044883384,65.06250526401323,81.08137408976677,7.371034008160617,40.540687044883384,-7.105427357601002E-15,0.035942988137890375,0.003267544376171852,-3.6584033845500965,96.65482060463079,8.786801873148253,5.02826068946714,102.46711634790265,50.94488863708049,82.79188574772563,102.13929265644256,9.285390241494781,50.94488863708049,-0.5151515151515369,0.06769833205552944,0.00615439382322995,-2.9619631103221375,72.87001964047514,6.624547240043194,4.717545031330714,0,11.789999999999996,12.210089069636629,-0.3069480403671795,0.1133244020585861,5.121644712138741,7.506008938538986,10.0,32.0,31.0,31.0,9.0,1.0,1.0,0.0,0.0,1.0,24.050553999999995,3.528511113887566,3.3892355968008983,3.1538955198662233,2.8372517811711404,2.4681830432935397,2.0850261187334356,1.7295060179176969,1.4369303080015872,1.9333589495416723,1.821098237493319,1.6505557519567313,1.4416607748846155,1.2151997098109555,0.9948185203319502,0.8050285147037434,0.6606111275625258,3.555951435454726,3.4182153283317787,3.187664420810013,2.8792609029697203,2.5216836297260743,2.1529880629923164,1.8140999762278023,1.5383925538973127,1.8744143229159171,1.7578159223833218,1.5790099162727715,1.357086744516552,1.1142474611236783,0.8769924884875917,0.6720499316030683,0.5156609571928565,3.676395758731973,3.5460250795208936,3.3361586842346553,3.063099334933301,2.7537980127776285,2.443357203507463,2.167585494419018,1.9514999674335496,1.7003895896134382,1.5715931496013136,1.365725143868353,1.0994091935632042,0.7991018186460962,0.4990368245259047,0.23385554870753653,0.027138287124881127,3.5761568310073146,3.4395886772456947,3.2125562406132997,2.910201054043837,2.561009291018704,2.20273149746615,1.8755909322078246,1.611498846208315,1.8368230026433903,1.7174976455838407,1.5331701881028683,1.302393020113015,1.048314109384358,0.7992297305867077,0.5834198964433649,0.41829014873978776,3.7348964836491607,3.6084177557616988,3.4082009542546907,3.151346204858152,2.8635348602536506,2.577634141512103,2.3266046702623018,2.1321469540414006,1.6459162508976588,1.5135937578940668,1.2985769468506596,1.0167790997845572,0.6957150486304072,0.3714743804446226,0.08131675278283956,0.14777338241372195,3.6821746098146635,3.4702226167685954,3.2701287903527683,2.9739235360930834,2.6226635754137497,2.2645414733322258,1.9444849253351217,1.6924705227590657,1.869561892034516,1.702410435145853,1.4591835123018888,1.1842043056450773,0.9190294802347955,0.6819445374395864,0.47390565803946155,0.30549269030017945,0,0,1,1,0,1,8,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.36396103067893,5.414213562373096,3.474873734152917,2.2071067811865475,1.3838834764831844,0.8535533905932737,0.5151650429449552,0.30177669529663687,0.7603600936980844,0.5414213562373096,0.3860970815725463,0.27588834764831843,0.19769763949759778,0.1422588984322123,0.10303300858899105,0.07544417382415922,7.9413112998685556,5.023603362114274,3.198670612749269,2.0118016810571366,1.2457819157813605,0.7559008405285684,0.4461142625940433,0.2529504202642842,0.7219373908971414,0.5023603362114274,0.3554078458610299,0.2514752101321421,0.17796884511162295,0.12598347342142807,0.08922285251880865,0.06323760506607105,16.960105841644616,31.766205389657678,29.980392156862756,30.35999999999999,19.784099401197615,253.310805988024,0.513942601261958,0.9626122845350812,0.9084967320261441,0.9199999999999997,0.599518163672655,7.676085029940121,4.239290000000004,52.537000000000035,41.63839022652778,66.32546526588186,83.27678045305557,7.570616404823234,41.63839022652778,5.551115123125783E-17,5.046468293750712E-18,-41.17294252526076,2000029.9561581695,181820.90510528814,15.959539988140248,150,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,9.0,1.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,8.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.727799925142999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3729919515058855,0.3125580672083649,0.0,0.0,2.0144499812857495,0.2902777777777778,0.0,0.6855500187142504,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.261619402773353,3.7079160595597283,11.010580672083648,0.0,2.0198838655832705,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0198838655832705,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3729919515058855,0.3125580672083649,0.0,0.0,0.20456611570247935,0.2902777777777778,0.0,0.3125580672083649,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.261619402773353,3.7079160595597283,1.2021604938271606,0.0,2.0198838655832705,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7079160595597283,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3729919515058855,0.3125580672083649,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.3729919515058855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.261619402773353,3.7079160595597283,1.4354988662131518,0.0,2.0198838655832705,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.0,1.7272727272727273,0.3729919515058855,3.7079160595597283,0.20456611570247935,1.2021604938271606,8.028804255245717,0.2978395061728395,0.7079160595597284,1.9788386558327034,0.2978395061728395,0.7079160595597284,1.9788386558327034,5.5,0.5,0.0,0.0,0.43333,0.7,0.42571,0.42571,0.7,0.00762,0.00762,-0.0,0.0,0.71429,0.0,0.0,0.18182,0.0,0.0,6.0,0.54545,5.0,0.45455,1.0,0.09091,-4.0,-0.36364,0.0,0.0,10.90278,0.99116,12.33112,1.42834,0.12985,4.84933,0.44085,5.41421,0.56488,0.05135,-2.1E-4,-2.0E-5,-2.1E-4,-2.0E-5,0.0,10.0,0,0,0,0,0,0,0.8181818181818182,0.9182958340544896,1.8590306432373982,2.812045728891583,3.363062499498938,3.5677560601705576,3.2207332264074218,30.303762523798156,61.34801122683414,92.79750905342223,110.98106248346495,117.7359499856284,106.28419647144491,0.18204284049305777,0.36853398034526097,0.5574595605248266,0.6666930497347128,0.7072714731941495,0.6384777141118853,4.126098285303964,3.185363476121055,2.2323483904668704,1.6813316198595154,1.4766380591878958,1.8236608929510316,0.18204284049305777,0.36853398034526097,0.5574595605248266,0.6666930497347128,0.7072714731941495,0.6384777141118853,6.732876570223358,13.810696858091228,17.449877077685578,18.704662804176966,18.21150086648954,15.183054807549038,43.44862502644239,33.254979156789574,27.301885038802922,24.184443195076376,25.227319919903508,31.293843466855204,11.0,10.0,10.0,11,2,11,2.67,1.6155000000000015,0.09999999999999998,4.340313073803048,0.0,0.0,13.18512473533854,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.10799999999999998,0.1,0.16700000000000004,0.167,5.156,9.0,8.0,7.0,6.0,5.0,4.0,3.0,2.0,1.0,66.0,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,4.343805421853684,1.1515151515151516,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.8,9.0,0.9,1,5.0,10.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.0,0.05,0.02469135802469137,0.015625,0.01142857142857143,0.009259259259259259,0.00816326530612245,0.0078125,0.008230452674897117,0.010000000000000002,0.0,0.14521040669354163,41.63839022652778,66.32546526588186,83.27678045305557,7.570616404823234,41.63839022652778,5.551115123125783E-17,5.046468293750712E-18,-41.17294252526076,2000029.9561581695,181820.90510528814,15.959539988140248,0.0,196.17583088453347,4.459431618637298,3.6635616461296463,4.290459441148391,4.9344739331306915,5.579729825986222,6.2324480165505225,6.884486652042782,7.5406215286571525,8.195609567288775,8.853236764745898,77.17462737568007,3.044522437723423,0.0,4.04305126783455,0.0,5.176149732573829,0.0,6.371611847231857,0.0,7.601402334583733,7.954372272531867,154.172150704,4.671883354666666,20.82876222801817,1.8935238389107427,0.0,0.0,0.0,220.0,8.0,6.2330000000000005,38.0,1.2333749999999997,2.14279600595182,2.8743787791350233,3.61510246509714,4.951656529181814,5.975941230022469,7.29615339622401,8.408424236322507,9.711591380231312,10.8612271581935,76.95552721181247,71.11208456083176,69.72189952122436,89.71809270730711,110.8259021379455,130.0763843013298,146.80522054876846,158.71036612504946,161.66787437939118,144.14142844754213,286.4277218978316,330.285912072616,336.9612814730896,442.38550819445925,560.1335185793639,671.3745088669289,777.7821582072521,868.4269862895933,933.7544148546568,935.2117934069958,8.977174115249996,15.263221291722962,20.101717381192245,25.37562733144181,34.60774047462997,41.77977177512414,50.8841031690828,58.585935480151875,67.47873875228152,75.20192250321352,2.1596830806093745,2.7655695598720524,2.9624080156958916,3.878261917306795,4.997921290181857,6.0214199212901,7.072656671535655,7.986488117755551,8.778790237183104,9.138969323665217,176.5013728543758,329.9271930661408,471.3122369083702,585.2682557949566,813.0842998952913,979.9798664375026,1205.9709427182618,1393.671801189516,1623.5626796713905,1835.0575720366846,2.6021015624999997,3.624857843543496,4.2867746662186,5.5965943738109765,7.496444231376569,9.212971881699472,11.258157939557313,13.285816815738084,15.829506337575822,18.701224136429563,0.44736328125,0.5840888687922187,0.6325850502279821,0.8270652399737409,1.0696663571324407,1.2895464385886362,1.518603789213344,1.7179408991979472,1.8955803730503709,1.9856813565370626,506.2409525884395,336.557693209638,15.23275627613104,213.7879326208164,-142.12989500557956,-15.083588440921357,292.45301996762305,478.68758821521754,30.316344717052395,0.7030842275741687,0.46742248835173755,0.02115575720507945,0.2969157724258313,-0.19739471280276977,-0.020948587967464308,364.5081087395258,242.3312606503344,10.96802452016693,153.93348679615795,-102.33762985577603,-10.860619370071824,0.08518105460417033,0.15437395020898056,1.9842515098428655,5.96175893696137,720.0288852092559,0.0,1.0,0.0,641.4656541947307,25.32717225026771,8.624312195272058,855.2173848748753,29.244100001109203,9.492024274920768,1021.7702756107528,31.965141570322395,10.072047258018907,3.6142992170710024,3.6142992170710024,2460.5211355064403,2427.389853700992,63.13599498859321,1.013648933134879,38.97176461622222,38.44700402899406,5.4265550098861866,7.064528488141851,13.924482305964826,0.9710419923053232,6.380798851307486,8.65746598418002,4.312505498172818,37.81016288848414,16.311100773424133,1.027433483178592,8.003968815383574,8.814162311193867,25.69145662146021,0.7078907720229806,2.0654649295137495,20.500281237663728,3.4699848034836593,21.72527090367491,1.3534203792216257,2.5386899809111694,7.16738680583912,3.715005058909265,10.16082998665788,2.0094452201903747,2.8262743258776113,1.9921112424489933,2.1178749707293423,1.1752815691184697,2.1894043491792865,0.036817747060560305,1.130720419904851,8.24710278187176E-15,1.1601749491608482E-50,3.147903897971115E-108,0.5355069396105567,8.657067956427031,0.294849135613714,8.987384935263277,0.11856449221697153,0.08486637634624154,1.0263778649159048,0.24109717552936707,7.122368951346574,0.023520902421864005,0.06442030120017214,1.3730694205607665,0.134302434972034,4.999487058298504,0.05719339823461734,0.09915544119310533,0.2635037983881682,0.11219532587801205,2.432209834890044,0.09219617886958158,0.1755722728963725,0.043309170371087426,0.09301281747234774,0.4531128225889669,0.16138522468371197,0.0030813560784903383,0.0079637563710675,5.808501921943399E-17,8.171207028975474E-53,2.2170944542670614E-110,1.728655635989408,8.657095347506257,0.9960029982971219,11.04611963205859,1.2066076156100876,0.26758098803305186,2.4416205145656753,1.1068422983548445,9.581528140052889,0.09957561357542036,0.24992816009324975,4.606644352159118,0.5369366481485868,7.709122612782284,0.22178410494699274,0.3249979826614567,1.0664232137918672,0.49368861157405247,3.8063273085015212,0.3479907344102912,0.4846497253542209,0.22115443133574855,0.3560847777228161,0.6004967232335633,0.5357023886410552,0.009952595450707268,0.08298848147495963,6.052906840517176E-16,8.515027727565867E-52,2.310383360227209E-109,6.0229542689845985,8.657422565136873,4.024472030657736,34.69263318843145,14.535433836112574,0.9663045236724364,7.57361032617308,7.976524650756059,24.08374034517919,0.6434804966782683,1.8640907904651502,19.092056733400508,3.16734120224376,20.452118085700523,1.2386907175644972,2.2930769249537275,6.530243538418228,3.3692395214275868,9.615712462106757,1.844117085287807,2.581930806810234,1.7949970880319763,1.9407624536610784,1.1310616696662303,2.051225463384096,0.03474709554314534,1.0074515371621287,7.348020101582608E-15,1.033694992443354E-50,2.8047256996707667E-108,2.5477148110982926,8.657130141249382,1.5126375423930054,13.594981972969773,2.6118473137904354,0.39588405160108203,3.4158221385587457,1.9636865395168939,11.664920948897931,0.17068075340581618,0.443471369005975,7.0255359278375575,0.8959505006099032,9.778369303803398,0.3644616013450636,0.5608294130919411,1.7976282976226998,0.8606570729967306,4.810026965948214,0.5638353119536119,0.7657035526458202,0.4085463821807122,0.581286452166069,0.7016789110740301,0.8044307413473933,0.014673962618917161,0.18026207123452861,1.3147722487132103E-15,1.8495778058712954E-51,5.018461387150588E-109,7.705736272068934,8.657648377547476,5.426737267045863,50.88922462099972,23.77619110201588,1.2576561043338892,9.601020698392572,12.270719309733837,32.17881203902701,0.9719355803031227,2.900615528978196,25.98370533766636,4.702303974302611,26.722144605092833,1.8183789842966156,3.5573879559700337,9.76998166527418,5.137379074286257,12.260879226324086,2.676030782934512,3.82415208100491,2.8102835184350305,2.8339929008441076,1.339018451642073,2.7169429118034727,0.044490493789119116,1.6490494655476895,1.2027624331668926E-14,1.6920061282845738E-50,4.590921990231305E-108,3.7712977648675157,7.106689490348113,2.369415867160238,17.67325945646623,5.484468205853502,0.509058554707517,5.287505698998432,3.344572329476069,14.448360626215413,0.27767590590353175,0.78101010583175,10.16520102667253,1.4025591978428136,13.330024226531108,0.5575356460438926,0.9798815812164883,3.0081207887102863,1.4327321369768329,7.701295415054231,0.8436522984570896,1.3731594812610226,0.7339728163645177,0.9343171075636522,1.3066187275394578,2.006583272122144,0.02464408088472462,0.3789949329874986,2.764264367330978E-15,3.8886750373535357E-51,1.0551146029210662E-108,16.44147173045025,0.8170385313377997,0.45108709545454556,0.9283933111966699,0.046135353326012235,0.5303112030120016,0.6378288798384878,0.5454461514086525,17.709597357242597,21.218407181541465,44.98759999751103,0.892589966795005,1.7135862342591417,15.717029303830522,0.3123783858937035,0.09724726432270224,0.9745994658294831,0.01937031497132102,0.48460633021668004,0.0932378930498062,0.025350461002347318,16.126654954046927,6.468476291513584,23.07258227313822,0.9618991987442246,0.6031946842688335,16.004754244972922,0.5128130911382707,0.23778096001980203,0.9552027186846727,0.030605934420156772,0.5025122802894011,0.25127210606768763,0.15156022028203725,16.755348296130993,12.135010515645167,30.841933556989837,0.9328040780270089,0.905344606639126,16.423536569490214,0.8045445756501435,0.4423270181909896,0.9294373065796763,0.0455306163962692,0.5291548171928594,0.6184713942899809,0.52446681142211,17.67040816333135,20.83391302205746,44.34899475845786,0.8941559598695143,1.6720930229049504,16.133005126357922,0.6021550565131886,0.3004226124766422,0.9470180926691679,0.035346900880763005,0.5105983736445165,0.34645013319916007,0.2419336693774875,17.035582795347754,14.742191155942836,34.696250634114,0.9205271390037518,1.0989821762211642,16.4976219334036,0.8561537683950142,0.4785125585299607,0.9251545114434808,0.048011436103783514,0.5339397002996557,0.7003606394700519,0.6137870993077332,17.832288260328575,22.428500799062455,47.01954026074369,0.8877317671652212,1.8480874390774409,16.552688341403744,0.8047331599052097,0.4428855119008268,0.9299102722846203,0.0452089483236446,0.537509012418134,0.6187706947616872,0.5257920586802092,17.800307013209782,21.007847700789593,44.70760993249505,0.8948654084269304,1.6820717658600304 +UMLCN0317,L,1-tetradecene,CCCCCCCCCCCCC=C,Olefins,,C14H28,NREL (2014),Unknown,PubChem,,80.9,0,-1.8656000000000006,3.480463360000002,49.613699999999994,43.31020399999996,0,0,42,14,28,0,14,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2048.147485999997,2214.4320369999996,2363.8719,2218.8487549999963,2024.1241539999944,1827.367424999995,1630.6106959999954,1433.853966999996,1237.0972379999964,6799.5814685566575,8718.344981115808,11400.026422352375,11720.23072657407,10775.5998704808,9768.801525525665,8762.003180570518,7755.204835615378,6748.406490660256,293.6842160000001,297.32040400000005,554.2623840000007,760.5152120000017,711.0672400000012,648.1823400000007,585.2974400000002,522.4125399999997,459.52763999999974,51.49376133577205,67.43494068,96.92675338273487,106.3586721224497,98.22636907275174,89.2048402133558,80.18331135395987,71.161782494564,62.1402536351681,6952.8152419389735,5935.757965131203,12104.546986801633,17990.50280842164,16881.382957431553,15402.42780239296,13923.472647354363,12444.517492315767,10965.56233727717,69.75,81.5,126.75,155.5,145.25,133.0,120.75,108.5,96.25,48.76541633333326,54.01053748780487,30.306050000000003,20.356410596330242,19.844354450980337,19.64911209677414,19.41203209523804,19.118052893333278,18.74389754545449,161.89479687039662,212.6425605150197,146.15418490195353,107.52505253737678,105.64313598510589,105.04087661855554,104.30956167345855,103.40273114153838,102.24858319182206,6.992481333333336,7.251717170731709,7.1059280000000085,6.97720377981653,6.971247450980404,6.969702580645169,6.967826666666669,6.965500533333329,6.962539999999996,1.2260419365660011,1.6447546507317072,1.2426506843940368,0.9757676341509147,0.9630036183603111,0.9591918302511375,0.9545632304042841,0.9488237665941865,0.941518994472244,165.54322004616603,144.7745845153952,155.18649983079018,165.05048448093248,165.50375448462307,165.61750325153722,165.7556267542186,165.92689989754356,166.14488389813894,1.6607142857142858,1.9878048780487805,1.625,1.426605504587156,1.4240196078431373,1.4301075268817205,1.4375,1.4466666666666668,1.4583333333333333,0.07883882962962942,-0.007612276215576272,-0.03760758100438828,0.0016767970587680727,0.0012150833080996275,9.059837100243266E-5,2.8860747494081733E-6,-9.156037475031506E-8,-1.920565193764493E-6,1129.9494173333333,-53.807115111113,-524.6193723333351,-26.903557555555775,-1.7763568394002505E-14,-1.7763568394002505E-14,2.0961010704922955E-13,2.0961010704922955E-13,2.6645352591003757E-13,2101.1891920994094,-100.05662819521007,-975.5521249033,-50.02831409760614,-6.536993168992922E-13,-1.9895196601282805E-13,1.4210854715202004E-13,1.4210854715202004E-13,1.4210854715202004E-13,0.2213493333333331,-0.010540444444441403,-0.10276933333333052,-0.005270222222222426,-3.894454203567932E-16,-4.172009959724221E-16,-4.3107878378023656E-16,-4.3107878378023656E-16,-4.3107878378023656E-16,9.393293325257321,-0.4472996821550859,-4.361171901012309,-0.22364984107755603,-2.6645352591003757E-15,-3.552713678800501E-15,-3.552713678800501E-15,-3.552713678800501E-15,-3.552713678800501E-15,51.02451842552395,-2.4297389726446252,-23.689954983279492,-1.2148694863219234,9.969802761133906E-14,9.969802761133906E-14,9.969802761133906E-14,9.614531393253856E-14,9.259260025373806E-14,6.601190476190473,-0.3190192743764191,-1.824829931972789,-0.03642290249432864,0.03401360544217796,0.002125850340136945,-0.029761904761903407,-0.0616496598639443,-0.09353741496598532,0.0018771149911816529,-1.856652735506408E-4,-4.8214847441523437E-4,1.5383459254752962E-5,1.1912581451957133E-5,9.741760322842221E-7,3.4358032731049685E-8,-1.2208049966708674E-9,-2.909947263279535E-8,26.903557555555555,-1.3123686612466585,-6.725889388888912,-0.24682162895005297,-1.7415263131375004E-16,-1.910061117634678E-16,2.4953584172527326E-15,2.7948014273230606E-15,4.0371746350005696E-15,50.028314097604984,-2.440405565736831,-12.507078524401281,-0.4589753586936343,-6.408816832346002E-15,-2.1392684517508393E-15,1.691768418476429E-15,1.8947806286936005E-15,2.153159805333637E-15,0.005270222222222216,-2.5708401084003425E-4,-0.0013175555555555195,-4.8350662589196566E-5,-3.818092356439149E-18,-4.486032214757227E-18,-5.1318902830980546E-18,-5.747717117069821E-18,-6.531496723942978E-18,0.22364984107755528,-0.010909748345245999,-0.05591246026938858,-0.002051833404381248,-2.6122894697062506E-17,-3.820122235269356E-17,-4.229421046191072E-17,-4.7369515717340015E-17,-5.3828995133340925E-17,1.2148694863219989,-0.05926192616206403,-0.3037173715805063,-0.011145591617632325,9.774316432484222E-16,1.072021802272463E-15,1.1868812810873697E-15,1.2819375191005141E-15,1.4029181856626978E-15,0.1571712018140589,-0.007780957911619977,-0.02339525553811268,-3.341550687553086E-4,3.334667200213526E-4,2.285860580792414E-5,-3.5430839002265963E-4,-8.219954648525907E-4,-0.0014172335600906867,-0.0989099093144867,-0.2568561205255303,0.00819526737947418,0.0063462182700155766,5.189751490242873E-4,1.8303637705978333E-5,-6.50362392504449E-7,-1.550223229237389E-5,-0.048780487804879764,-0.25000000000000083,-0.00917431192660558,-6.473219422900735E-18,-7.09966001221371E-18,9.27519868738491E-17,1.03882225298711E-16,1.5006099571269888E-16,-0.0487804878048781,-0.2500000000000007,-0.009174311926605717,-1.2810379378050664E-16,-4.2761154165162105E-17,3.3816218855102684E-17,3.7874165117715E-17,4.3038823997403415E-17,-0.048780487804864034,-0.24999999999999345,-0.00917431192660587,-7.244651544938519E-16,-8.512036163943138E-16,-9.73752161997861E-16,-1.0906024214376043E-15,-1.239320933451823E-15,-0.048780487804875365,-0.24999999999999892,-0.009174311926605535,-1.1680265262519835E-16,-1.7080818018308578E-16,-1.8910905663127351E-16,-2.1180214342702636E-16,-2.406842538943481E-16,-0.048780487804890645,-0.25000000000000544,-0.009174311926604934,8.045569126998024E-16,8.824172590901058E-16,9.769619654211885E-16,1.0552059571284179E-15,1.1547892193012551E-15,-0.04950625701027104,-0.14885204966359164,-0.0021260578585549673,0.0021216782474938367,1.4543762180406925E-4,-0.0022542831379620265,-0.005229936880072031,-0.009017132551848413,1.4745838164273326,1.3191470203213649,0.8465393809197754,0.8557528686861097,0.8733038210250874,0.8889771799403786,0.9078378886020164,0.9318333153430444,1.500000000000001,1.4361263736263752,0.967234600262124,0.9474789915966395,0.944700460829494,0.9413265306122457,0.9371428571428579,0.9318181818181827,1.5000000000000007,1.4361263736263739,0.9672346002621234,0.947478991596639,0.9447004608294933,0.9413265306122452,0.9371428571428574,0.9318181818181822,1.4999999999999993,1.4361263736263739,0.9672346002621232,0.9474789915966383,0.9447004608294927,0.9413265306122444,0.9371428571428567,0.9318181818181813,1.5000000000000022,1.4361263736263739,0.9672346002621235,0.9474789915966393,0.9447004608294939,0.9413265306122459,0.9371428571428586,0.9318181818181833,1.5,1.4361263736263727,0.9672346002621227,0.9474789915966382,0.9447004608294927,0.9413265306122446,0.937142857142857,0.9318181818181819,1.4391343552750233,0.9455850731774992,0.7193934530654118,0.7383175091497377,0.7763751127141573,0.8225879170423809,0.8798917944093781,0.9528240019673749,133.08847659199023,66.54423829599509,106.29579647691851,133.08847659199017,9.506319756570727,66.54423829599509,-5.6843418860808015E-14,0.025711823591611893,0.001836558827972278,-5.125126063325215,90.51939694682609,6.465671210487578,6.3077898221022295,133.08847659199023,66.54423829599509,106.29579647691851,133.08847659199017,9.506319756570727,66.54423829599509,-5.6843418860808015E-14,0.025711823591611893,0.001836558827972278,-5.125126063325215,90.51939694682609,6.465671210487578,6.3077898221022295,133.08847659199023,66.54423829599509,106.29579647691851,133.08847659199017,9.506319756570727,66.54423829599509,-5.6843418860808015E-14,0.025711823591611893,0.001836558827972278,-5.125126063325215,90.51939694682609,6.465671210487578,6.3077898221022295,133.08847659199023,66.54423829599509,106.29579647691851,133.08847659199017,9.506319756570727,66.54423829599509,-5.6843418860808015E-14,0.025711823591611893,0.001836558827972278,-5.125126063325215,90.51939694682609,6.465671210487578,6.3077898221022295,133.08847659199023,66.54423829599509,106.29579647691851,133.08847659199017,9.506319756570727,66.54423829599509,-5.6843418860808015E-14,0.025711823591611893,0.001836558827972278,-5.125126063325215,90.51939694682609,6.465671210487578,6.3077898221022295,133.08847659199023,66.54423829599509,106.29579647691851,133.08847659199017,9.506319756570727,66.54423829599509,-5.6843418860808015E-14,0.025711823591611893,0.001836558827972278,-5.125126063325215,90.51939694682609,6.465671210487578,6.3077898221022295,161.70092354589556,80.51091219565699,129.76723729873694,161.30976708331053,11.522126220236466,80.51091219565699,-0.5476190476190652,0.05031279740322897,0.003593771243087784,-4.185294137781045,90.30609244738692,6.450435174813351,6.304486897954451,0,11.79,12.210120530012643,-0.30694804448284363,0.11336519207796272,5.12381048005043,7.5939607907682465,13.0,41.0,40.0,40.0,12.0,1.0,1.0,0.0,0.0,1.0,30.609795999999992,3.5432057754793402,3.4511504109732383,3.295618999470297,3.081433848785649,2.8198448691211855,2.527064612780817,2.2227674349700126,1.9281278088934897,1.9465719247673428,1.8709740611263224,1.7524664853634928,1.6011240153584188,1.428451035129129,1.246347226474742,1.067712403276151,0.9054538445962269,3.5706960910661856,3.4794510427270593,3.3264879185531187,3.116946260973284,2.8620793361363273,2.578071556093893,2.284536202238407,2.0023805748900583,1.8880747132191056,1.8096377954520821,1.6860282701612712,1.5267614790742494,1.3432211533245402,1.1482236668849035,0.9561027890698593,0.7810008276835709,3.691055120241918,3.6039949960860755,3.4623422479421655,3.2729423845317456,3.0470663107216724,2.8002046271821337,2.5507966713493184,2.3175987879035227,1.7149786100180147,1.6288627595780865,1.4894495968417798,1.3039466706042038,1.083627467470806,0.8437372539327272,0.6023259251159555,0.37760193981974605,3.5909209022519084,3.5003080772592745,3.3492417656453424,3.143118661698277,2.8931954644081905,2.6156061421145314,2.3298689016639362,2.056631212321091,1.850738151186155,1.7705406316393801,1.6436015938980275,1.4790121855094511,1.2881073700412375,1.0842853251242004,0.882768919197723,0.6985411663947456,3.7493569910910187,3.6646551461083954,3.5284439820146702,3.348444080638099,3.1359342753538253,2.905755625793205,2.6753285667044153,2.462046513306683,1.6606409395195592,1.5724309921948367,1.4279219697411265,1.233500967437386,1.0004355794403026,0.7444800296104586,0.4845017028626175,0.23991434349429575,3.7172290538031456,3.5229665239195977,3.397773982878705,3.2036653114162066,2.957507504616445,2.6807665354256804,2.3973539895033738,2.130313385768214,1.8686394473701118,1.7611652165203624,1.5956701696533224,1.3909951599515977,1.1697258379042057,0.9531934431693183,0.7543491982836449,0.5757049548219453,0,0,1,1,0,1,11,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.485281374238573,6.914213562373096,4.535533905932739,2.957106781186548,1.9142135623730954,1.2285533905932737,0.7803300858899107,0.48927669529663687,0.7489486695884695,0.5318625817210074,0.37796115882772824,0.2688278891987771,0.19142135623730955,0.13650593228814153,0.09754126073623884,0.06989667075666241,10.0626316434282,6.523603362114274,4.259330784529091,2.761801681057137,1.7761120016712715,1.1309008405285685,0.7112793055389988,0.4404504202642842,0.7187594031020142,0.5018156432395595,0.3549442320440909,0.25107288009610335,0.17761120016712714,0.12565564894761871,0.08890991319237485,0.06292148860918347,21.58558925300221,40.42971595047344,38.156862745098024,38.64,25.179762874251526,322.3955712574851,0.5139426012619575,0.9626122845350819,0.9084967320261434,0.92,0.5995181636726554,7.676085029940121,5.409590000000006,66.38800000000006,67.6939100309657,107.57890115145126,135.3878200619314,9.670558575852244,67.6939100309657,2.220446049250313E-16,1.586032892321652E-17,-50.46111474476402,90.61877602992156,6.4727697164229685,6.3093260055361995,254,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,12.0,1.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,11.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.768931057303101,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.36850104024986435,0.307276550453946,0.0,0.0,2.62422240929619,0.2902777777777778,0.0,0.6757775907038104,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2773862783941246,3.7364427380926504,15.453682664302772,0.0,2.0324883192104513,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0324883192104513,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.36850104024986435,0.307276550453946,0.0,0.0,0.20275480014491004,0.2902777777777778,0.0,0.307276550453946,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2773862783941246,3.7364427380926504,1.2048611111111112,0.0,2.0324883192104513,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7364427380926504,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.36850104024986435,0.307276550453946,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.36850104024986435,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2773862783941246,3.7364427380926504,1.4597800925925926,0.0,2.0324883192104513,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.5,1.6785714285714286,0.36850104024986435,3.7364427380926504,0.20275480014491004,1.2048611111111112,10.189791436552587,0.29513888888888884,0.7364427380926506,2.0926346713944532,0.29513888888888884,0.7364427380926506,2.0926346713944532,7.0,0.5,0.0,0.0,0.43333,0.7,0.42727,0.42727,0.7,0.00606,0.00606,-0.0,0.0,0.71429,0.0,0.0,0.14286,0.0,0.0,7.5,0.53571,6.5,0.46429,1.0,0.07143,-5.5,-0.39286,0.0,0.0,15.54577,1.11041,17.08479,1.53902,0.10993,6.34933,0.45352,6.91421,0.56488,0.04035,-2.1E-4,-2.0E-5,-2.1E-4,-2.0E-5,0.0,13.0,0,0,0,0,0,0,0.8571428571428571,0.9182958340544896,1.7239704419357793,2.554378151352315,3.08232813685843,3.386630971409058,3.3880124354600927,38.56842503028856,72.40675856130274,107.28388235679722,129.45778174805406,142.23850079918043,142.2965222893239,0.17029706563180674,0.3197086348539522,0.47370693360184213,0.5716147428261094,0.6280474063160518,0.6283035974751997,4.474021588724272,3.6683469808429816,2.8379392714264458,2.309989285920331,2.005686451369703,2.004304987318668,0.17029706563180674,0.3197086348539522,0.47370693360184213,0.5716147428261094,0.6280474063160518,0.6283035974751997,6.732876570223358,12.801127323366636,16.05088893466259,17.5605768907756,18.0386922567497,17.50569628591666,55.29825003365396,44.61199237637071,38.46966904350395,34.288671484667525,32.81542624537541,34.607735312059994,14.0,13.0,13.090909090909092,14,2,14,3.0,2.038200000000002,0.07692307692307693,4.537846781638471,0.0,0.0,19.17822877738171,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.10799999999999998,0.1,0.16700000000000004,0.167,6.653,12.0,11.0,10.0,9.0,8.0,7.0,6.0,5.0,4.0,99.0,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,4.700480365792417,1.101010101010101,0.46153846153846156,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.0,0.8461538461538461,12.0,0.9230769230769231,2,7.0,13.0,0.8571428571428571,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.038461538461538464,0.018518518518518528,0.011363636363636364,0.008000000000000002,0.006172839506172839,0.005102040816326531,0.004464285714285714,0.004115226337448558,0.004000000000000001,0.004132231404958678,0.11487710651582893,67.6939100309657,107.57890115145126,135.3878200619314,9.670558575852244,67.6939100309657,2.220446049250313E-16,1.586032892321652E-17,-50.46111474476402,90.61877602992156,6.4727697164229685,6.3093260055361995,0.0,248.0637847621335,4.807354922057604,3.9318256327243257,4.574710978503383,5.231108616854587,5.8888779583328805,6.55250788703459,7.215975002651466,7.8826922062890254,8.548885638148727,9.217216675915616,86.04380059645462,3.295836866004329,0.0,4.31748811353631,0.0,5.4680601411351315,0.0,6.678342114654332,0.0,7.921898411023797,8.268988209506656,196.219100896,4.671883354666666,26.828469012655187,1.9163192151896562,0.0,0.0,0.0,455.0,11.0,7.94,50.0,1.2369512195121948,2.146982277502564,2.8752174277740066,3.6178662615788095,4.954541637456431,5.978742474334532,7.2995500223326175,8.412335189276742,9.717162877552775,10.869386820475228,78.1114822753902,72.60530367457633,71.61371725978036,93.2901719045048,116.42536793847243,138.6354586199874,160.14483235381655,179.9709063614782,197.77937717253505,211.9733748265273,289.4377304620885,334.9713234343192,342.1422962683702,453.17394179971086,576.7987006009712,697.2033098719961,817.8332663525484,932.7692559779575,1042.7745003744533,1141.172340235405,9.006188677756098,15.302890767942003,20.118043302488083,25.42050097601453,34.66707356346314,41.86219032471842,51.00493741484834,58.77190897935181,67.78593849519561,75.77131301568001,2.1777705263824387,2.7961555786709336,2.99349436069536,3.946361026308269,5.10217190034028,6.183750693044126,7.323624579847689,8.390883747078156,9.463043797937955,10.43465250148802,176.8273101937069,329.85314513874215,470.7130791792091,583.8574360836454,810.7097778465132,975.8467921515696,1199.440238983363,1382.7020522733308,1604.8528844475131,1798.8492063727979,2.525963414634146,3.573157584991526,4.219599767386769,5.5006716933964,7.342566144864844,8.970191490675466,10.876170027081542,12.667233352222203,14.680400931752082,16.68141806269184,0.45093676829268303,0.5902116208924301,0.6386958749428444,0.8405820508604964,1.09031808453837,1.3217213451766743,1.568315442367666,1.7980781122610339,2.031136492111148,2.242459748397118,619.0191546639448,510.06430344672225,18.917713718385112,246.14859497251103,-202.82346788962136,-18.168118209898683,372.8705596914338,712.8877713363436,37.085831928283795,0.7154903253433301,0.5895553823649246,0.02186594880164493,0.2845096746566695,-0.23443253400840222,-0.020999532423085502,535.5554090224666,441.29118558288724,16.366995806001967,212.9598259885429,-175.47632328752576,-15.718469946787167,0.06872653007168167,0.12455335262780795,1.5370957033802486,6.11449159580062,865.1677496364563,0.0,1.0,0.0,827.7103616331805,28.769955885144846,9.389146828111516,1099.5843088040506,33.15998053081531,10.321500658137062,1363.8348066437993,36.930134127075675,11.089720230493153,3.985458292919727,3.985458292919727,5029.150608523473,4986.797744033434,82.3452769297055,1.0084929982453597,61.07394128769079,60.559608637790376,6.386189079781691,9.364340826787707,17.6309575358515,0.8827761464444187,8.054202171923844,11.503017907309918,5.201503017553399,52.72879618082516,22.235649719472168,1.0274804048806618,10.386908039316475,9.228244729610594,38.78465224048675,0.8003260274714634,2.066683161965022,34.14795982310412,3.801600558282265,39.62038073892419,1.353624921317188,2.544811539817889,16.312571972587985,3.7358451424197736,30.62154833413707,2.1435539721831764,2.6744185355103074,8.277147479064938,4.498238516902905,16.8228114393734,2.897711866824242,2.4036965227869436,2.3085085319395775,5.288126049163758,4.811646400814741,3.7855336957728696,0.6759440844964846,11.502493563496905,0.3611999319374315,12.0275627329399,0.16076352461966884,0.08491291407088154,1.3940550662872935,0.2440146583177605,10.359225413387147,0.024172013488835853,0.0656385293074174,2.310159080434602,0.13663803358921278,8.448394950062156,0.05719483967477816,0.10527240593720366,0.5694387031105864,0.11234210995636716,5.765272213238526,0.0931407178104537,0.1826008051179303,0.1400804309939636,0.11497861137061646,3.08098311458317,0.12591030316461213,0.24298545343424144,0.03319863475648976,0.13322044173798306,0.8833487321565724,0.1734499599579178,2.182003859021072,11.502529631501645,1.2156319686157375,14.889734494330556,1.6426485187399056,0.2676275514157904,3.2206101761739383,1.1372363441769693,14.065350674692473,0.10636004903034176,0.25114638908720227,7.731311379341916,0.5612753699739789,13.370857446298727,0.22179911931968174,0.33111588495723004,2.349245798410091,0.49521816109056843,9.777631362017795,0.3578335581412861,0.464988419309182,0.8146432441384802,0.5441515172937024,5.309325384215747,0.4837293665035131,0.5221357593638934,0.2125631166522835,0.6346981542896619,1.4543270452961736,0.6549638673270188,7.602510498787293,11.502960703442279,4.857928008078986,48.31054592742901,19.81442524955264,0.9663514032171346,9.833160562966984,8.345465364634864,36.302933567802285,0.7258387015843508,1.8653090226504851,31.817645653788446,3.4628048697024747,37.20248675534618,1.2388729614626246,2.299198202533094,14.841592346764008,3.3878076612648713,28.724399145614793,1.9636055689048817,2.4418330733509395,7.430051356364067,4.065204480116318,15.77754410872354,2.654453129321602,2.2141455833825052,2.0683656780258755,4.777709874478622,4.489484324164657,3.4739147048030032,3.215866679581955,11.5025754610675,1.8418345562851688,18.471501686801204,3.5578250624016907,0.39593064825092467,4.477178414237263,2.0297038448517735,17.231868037194364,0.18541725200377415,0.4446895986086249,11.772730637915355,0.9488174546596272,17.177659505050105,0.36449421251884695,0.5669479590513438,3.996723385551493,0.8639794522406384,12.84712297457381,0.5852152402744135,0.7260156384150565,1.5705879039690414,0.9769948801598621,7.010234148966916,0.7911099687683868,0.7618342304625016,0.4203358125714175,1.1424754894873266,1.9148361330663672,1.0614572341932254,9.72661312893802,11.50325821109422,6.527261276055803,71.2750409262649,32.415049572261566,1.2577032033020223,12.44083207290782,12.87461612383725,48.81529608535091,1.1067434456950498,2.90183376241412,43.20891873174067,5.185934386100814,49.15132931142607,1.8186772870033319,3.5635105565916234,22.33483072596354,5.167772374873846,38.072151053320745,2.8716157938504256,3.6264551408592043,11.809770462529466,6.288566319793592,20.924595343172655,3.8819238613634655,3.17054838224435,3.3121570456604776,7.399189670139502,6.097202834200296,5.042062944828098,4.884175471173786,9.797315482649198,2.9631160986171388,25.33085908685745,7.911113871410331,0.5390635517672361,6.916049624929146,3.688428671678739,22.020242150288716,0.32682891648258133,0.8279601040928404,17.505688338170206,1.6028205858890254,23.369936675888052,0.5904297329150464,1.042453141678404,6.978297845015347,1.5244718439482061,18.54834586816022,0.9409139200827029,1.2094468134034106,3.155245784984809,1.7887454930693083,11.026391272451338,1.2719524567195644,1.2056632643172693,0.8670690972049653,2.1417494172988736,3.701529555652745,2.0211460895727233,26.116288285285943,0.8233448600528275,0.47240357499999996,0.9527306763713975,0.030035887827405922,0.5374474452037519,0.6613243530018793,0.571421765260203,27.412036720338772,34.22909073039458,71.79908534103738,0.9290960145570962,1.7701935634658343,25.389164706168494,0.3176655298493376,0.10184276116061872,0.9837454528926839,0.012308479784453336,0.5079847012600316,0.09856862473493423,0.026557718188515312,25.808672997178448,10.68331703074045,37.31337862620992,0.9756181793390258,0.6331110441834811,25.677843195058557,0.5186163411961395,0.24901748844554492,0.9709729633946588,0.0196107765691558,0.5195782569739289,0.2627176364709685,0.1587779259109709,26.445477024700242,19.840325647512945,49.601955887771865,0.9564594450919881,0.9410738193558683,26.098275577706495,0.8108368410598761,0.46322953331651934,0.9534542430966729,0.029622486905917664,0.5367071158241501,0.6414354640377364,0.5494433326355628,27.372341952082888,33.62653891424455,70.80148638278345,0.9301813646450092,1.7275859124974493,25.806566551517992,0.6081409167075602,0.314619322022051,0.9654776101930751,0.02275182317459058,0.5247918278219398,0.36117039058922557,0.25345520190129095,26.7293267902476,24.004606394778744,55.671577961295796,0.9482164152896126,1.1394174203124563,26.172684898022993,0.8625004935416705,0.5011250501506058,0.9504790031119603,0.03132229698554867,0.5397688111436808,0.7255260101419717,0.6430172930445598,27.53631044171527,36.12196227703423,74.97064636962176,0.9257185046679405,1.9083121143302124,26.280950317393756,0.8116132561310518,0.4641690172706426,0.9537034273131557,0.029452448814709927,0.5442463151108977,0.642635241095835,0.5516742639894199,27.55673259079545,33.90549627058377,71.36293898914793,0.9305551409697336,1.7385558201961526 +UMLCN0318,L,"2,6,7-trimethyl-2,6-tridecadiene",CCCCCCC(=C(C)CCC=C(C)C)C,Olefins,,C16H30,NREL (2014),Unknown,PubChem,,24,0,2.1965000000000003,4.824612250000001,70.713,48.16378999999996,0,0,46,16,30,0,16,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2338.707855999997,2527.1744550000017,3019.6624250000004,3063.1010080000024,2818.0921580000004,2556.9070929999984,2447.857620999998,2211.650626999997,1643.7387189999952,7708.782760917177,9794.85201735551,13046.77744389243,14530.812254286468,14503.842827716535,13315.563056786392,12024.665192651068,11244.376198756894,9830.062291637947,322.202176,326.63670000000013,596.288420000001,735.8231680000016,862.6282160000023,884.2891720000026,746.7265480000016,639.9820280000012,670.2861400000012,57.96078714547005,75.23982929999995,107.30227785667782,123.88421993577174,128.98115374790265,121.05707281548659,106.8133634772987,99.0245712403188,91.8704873839598,7576.239258167471,6495.591772737002,13114.20704514398,16393.75681689296,19959.848588599456,21107.38864005554,17663.396434061393,14630.18996767382,15787.271411532063,78.08333333333334,94.69444444444444,144.25000000000006,176.75000000000003,191.36111111111114,186.61111111111111,163.5,150.5,148.08333333333334,50.841475130434716,56.15943233333337,35.948362202380956,29.45289430769233,22.91131835772358,20.133126716535422,22.877174028037363,24.30385304395601,17.122278322916618,167.58223393298212,217.66337816345577,155.3187790939575,139.71934859890834,117.91742136354907,104.84695320304246,112.38004852944923,123.56457361271312,102.39648220456195,7.004395130434783,7.258593333333336,7.098671666666679,7.075222769230785,7.013237528455304,6.962906866141753,6.978752785046743,7.032769538461551,6.982147291666679,1.2600171118580445,1.6719962066666656,1.2774080697223549,1.1911944224593436,1.048627266243111,0.953205297759737,0.998255733432698,1.0881821015419648,0.9569842435829146,164.70085343842328,144.34648383860005,156.12151244219024,157.63227708550923,162.27519177723136,166.19991055161842,165.07847134636816,160.77131832608592,164.45074387012565,1.6974637681159421,2.104320987654321,1.7172619047619055,1.699519230769231,1.5557813911472451,1.4693788276465443,1.52803738317757,1.6538461538461537,1.5425347222222223,0.07556932898723168,0.006458072417160834,-0.01783690366268758,-0.04097865372120135,-9.022465429226827E-4,0.019852703211386682,0.008310007958300013,-0.021418248512667038,-0.015742366003325473,1263.2974852173895,-51.493104017015014,-38.219326092629146,-413.77569805671203,-293.39626377693776,191.55434694329017,235.4951290378076,-325.20755914744836,-399.3576289319466,2349.1556184962346,-95.75362575392302,-71.07046889291168,-769.4335793915232,-545.5828809623538,356.20348780459153,437.91324844794025,-604.7373430947755,-742.6225641804255,0.2474713043478254,-0.010087145557652267,-0.007486903591679779,-0.08105581852551741,-0.05747431379962159,0.03752418147447862,0.046131879017012524,-0.06370592816635065,-0.07823141776937685,10.501818624511301,-0.4280632591512502,-0.31771806345892784,-3.4397261002022317,-2.439009325475265,1.5923953240427355,1.9576759718518293,-2.7034572944620505,-3.3198683876398984,57.046045444685106,-2.3252464175830267,-1.7258495632727104,-18.68464676883939,-13.248737365957771,8.649916673406407,10.634126949743099,-14.685222930597547,-18.03357777191576,6.208333333333334,-1.2430555555555551,1.1249999999999998,-2.625,-1.2430555555555554,1.2986111111111112,1.7291666666666665,-1.0624999999999996,-2.541666666666667,0.0016428114997224278,1.4351272038135187E-4,-2.123440912224712E-4,-3.94025516550013E-4,-7.335337747338884E-6,1.563204977274542E-4,7.76636257785048E-5,-2.3536536827106636E-4,-1.63982979201307E-4,27.462988809073686,-1.1442912003781114,-0.4549919772932041,-3.978612481314539,-2.3853354778612825,1.5083019444353556,2.2008890564281085,-3.573709441180751,-4.159975301374444,51.06860040209206,-2.127858350087178,-0.8460770106299009,-7.398399801841569,-4.4356331785557215,2.8047518724770986,4.092647181756451,-6.6454653087337965,-7.735651710212765,0.005379810964083161,-2.2415879017005037E-4,-8.91298046628545E-5,-7.793828704376674E-4,-4.6727084389936254E-4,2.9546599586203635E-4,4.3113905623376193E-4,-7.00065144685172E-4,-8.149106017643422E-4,0.22830040488068046,-0.009512516870027783,-0.0037823578983205695,-0.033074289425021455,-0.019829344109555,0.012538545858604217,0.018296037120110555,-0.02970832191716539,-0.03458196237124894,1.2401314227105458,-0.05167214261295615,-0.020545828134198935,-0.17966006508499413,-0.10771331191835586,0.06810958010556226,0.09938436401629064,-0.1613760761604126,-0.18784976845745582,0.13496376811594205,-0.027623456790123447,0.01339285714285714,-0.025240384615384616,-0.010106142728093946,0.010225284339457567,0.01616043613707165,-0.01167582417582417,-0.026475694444444448,0.08735799597555777,-0.12925651619698864,-0.239848282421074,-0.004465112247253124,0.0951542509617606,0.047274824769382835,-0.14326985677348503,-0.09981849970554373,-0.04166666666666816,-0.01656746031746101,-0.14487179487179552,-0.0868563685636858,0.05492125984252003,0.0801401869158881,-0.13012820512820544,-0.15147569444444448,-0.041666666666666845,-0.01656746031746037,-0.14487179487179538,-0.08685636856368621,0.054921259842519596,0.080140186915888,-0.13012820512820555,-0.15147569444444514,-0.041666666666651545,-0.016567460317454517,-0.14487179487179092,-0.08685636856368537,0.05492125984251759,0.08014018691588684,-0.13012820512820353,-0.15147569444444617,-0.04166666666666417,-0.01656746031745932,-0.144871794871794,-0.08685636856368548,0.05492125984251932,0.08014018691588762,-0.13012820512820478,-0.15147569444444461,-0.04166666666668017,-0.01656746031746545,-0.14487179487179874,-0.08685636856368634,0.054921259842521906,0.08014018691588912,-0.1301282051282066,-0.15147569444444364,-0.20467312950534416,0.09923298178331733,-0.18701600413009808,-0.07488041323366253,0.07576318060913526,0.1197390704384369,-0.08651080463160996,-0.19616890380313198,1.2506734504336008,1.3847298789440299,1.400300486473705,0.9073619575051903,0.7615531194619634,0.9888284967656252,1.2266160959626737,0.9607978222853116,1.437500000000003,1.1551339285714313,1.2439903846153875,1.0868902439024415,0.8658956692913405,0.8665303738317776,1.161057692307695,1.1005859375000024,1.4375000000000002,1.1551339285714286,1.2439903846153848,1.086890243902439,0.8658956692913388,0.8665303738317758,1.1610576923076923,1.1005859375,1.4375000000000018,1.1551339285714302,1.2439903846153875,1.0868902439024417,0.8658956692913401,0.8665303738317767,1.1610576923076943,1.1005859375000018,1.4375000000000007,1.155133928571428,1.2439903846153832,1.0868902439024377,0.8658956692913379,0.8665303738317753,1.1610576923076914,1.1005859374999993,1.4375000000000013,1.155133928571429,1.243990384615385,1.086890243902439,0.8658956692913389,0.8665303738317761,1.1610576923076927,1.1005859375000004,1.659955257270693,0.8161553211888777,1.274845121321631,0.9993452283516123,0.7736616815515509,0.7969014614564384,1.1947783759864292,1.2741191275167782,135.9477573635648,67.9738786817824,103.4229625030182,135.9477573635648,8.4967348352228,67.9738786817824,-1.4210854715202004E-14,0.1425200461138769,0.008907502882117306,-3.1172361834941,347.05069491490946,21.69066843218184,9.359153382610707,135.9477573635648,67.9738786817824,103.4229625030182,135.9477573635648,8.4967348352228,67.9738786817824,-1.4210854715202004E-14,0.1425200461138769,0.008907502882117306,-3.1172361834941,347.05069491490946,21.69066843218184,9.359153382610707,135.9477573635648,67.9738786817824,103.4229625030182,135.9477573635648,8.4967348352228,67.9738786817824,-1.4210854715202004E-14,0.1425200461138769,0.008907502882117306,-3.1172361834941,347.05069491490946,21.69066843218184,9.359153382610707,135.9477573635648,67.9738786817824,103.4229625030182,135.9477573635648,8.4967348352228,67.9738786817824,-1.4210854715202004E-14,0.1425200461138769,0.008907502882117306,-3.1172361834941,347.05069491490946,21.69066843218184,9.359153382610707,135.9477573635648,67.9738786817824,103.4229625030182,135.9477573635648,8.4967348352228,67.9738786817824,-1.4210854715202004E-14,0.1425200461138769,0.008907502882117306,-3.1172361834941,347.05069491490946,21.69066843218184,9.359153382610707,135.9477573635648,67.9738786817824,103.4229625030182,135.9477573635648,8.4967348352228,67.9738786817824,-1.4210854715202004E-14,0.1425200461138769,0.008907502882117306,-3.1172361834941,347.05069491490946,21.69066843218184,9.359153382610707,158.40003298508213,79.06459982587437,122.10646686054903,158.16305381841545,9.885190863650966,79.06459982587437,-0.27083333333338544,0.2552813703335698,0.015955085645848112,-2.1846222865018463,134.97510531193646,8.435944081996029,7.848144570139124,0,11.889999999999997,12.110287805853513,-0.17325746987848692,0.04992049688909758,5.162642434940252,9.607821415498979,15.0,45.0,43.0,43.0,13.0,2.0,2.0,0.0,0.0,2.0,32.796209999999995,3.6812947282996045,3.50013065654172,3.3741502024661125,3.0319823021190033,2.814358649419341,2.5786750059634187,2.3989388535170946,2.3335527931030455,1.9651526567722617,1.868733283277274,1.7792399919834008,1.5879954927760338,1.4475482547894902,1.3479720822373285,1.2496297225843558,1.2161020373662528,3.6980987880647866,3.5218881979189605,3.4022934112938015,3.0700105183443944,2.8577994997958958,2.634325461514013,2.460151896635805,2.4054545878412887,1.9187267301782869,1.8106106471179266,1.7200353564677204,1.5088497129326732,1.3583541137546162,1.2452341981406283,1.1345406859483504,1.109576997992622,3.775777000037819,3.6239825543128905,3.5236737262413746,3.2373081063104787,3.0492851638981544,2.8750560683031665,2.7203141668210424,2.704236987233522,1.7920574005189902,1.645533544527596,1.5475187298382012,1.2705573723060586,1.087316008629164,0.9218542874902442,0.7701369563534752,0.760318560430899,3.7106764682232996,3.538268939032462,3.4228929832574497,3.098059482331696,2.8898785290171194,2.6752028551187594,2.5048395015318676,2.4575399160416933,1.8900579725773716,1.7739538762418823,1.6825945497194017,1.4579144439625404,1.3007092645469036,1.1779072662738432,1.0582626705327107,1.0394836817546098,3.8159627290320115,3.677143965435858,3.581701913245483,3.3182512278088225,3.1418042070191965,2.98828605437068,2.8405116904384777,2.83898208514965,1.75549197594395,1.5971579190636398,1.4932524215178962,1.194998945903797,1.0008567035321116,0.8149568733411003,0.656002281476265,0.6313372621875613,3.717387649471645,3.587651709177774,3.4145345749401406,3.1135921547876175,2.9434782370793218,2.8049996411239286,2.629038207377957,2.567872971387515,1.8916414644208819,1.7591529575536302,1.616991790034262,1.4113958389700636,1.2190779323104544,1.0356192257970331,0.9405966044039579,0.8835836619234094,0,0,0,1,3,5,7,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8796528112548948,0.0,0.16666666666666666,0.0,0.6422285251880866,0.0,0.125,0.0,1.4267463220525114,1.2445642597518125,1.2406303660661002,1.0576775358252053,0.9084480891877018,0.8601490746826792,12.38890505706126,7.574586062669975,6.128653584660311,3.9253642187926854,2.310199827843892,1.4138067012761093,1.011098667020697,0.6112417020386042,0.7743065660663287,0.5049724041779984,0.360509034391783,0.24533526367454284,0.16501427341742086,0.10875436163662379,0.07777682054005361,0.05556742745805492,12.02709773749546,6.861136987431771,5.191469892576014,3.2058069015418607,1.8210687027278551,1.0418439533204211,0.686049869517919,0.4060342293194903,0.7516936085934662,0.4574091324954514,0.30538058191623607,0.2003629313463663,0.1300763359091325,0.08014184256310931,0.05277306688599377,0.036912202665408206,24.12741705678807,44.3175528040787,41.88235294117644,42.40000000000001,27.978317365269504,352.1665209580839,0.5245090664519145,0.9634250609582327,0.9104859335038357,0.9217391304347828,0.608224290549337,7.655793933871388,5.891980000000006,75.25800000000007,74.50289660584998,113.79780226962056,149.0057932117,9.31286207573125,74.50289660584998,0.054421028589052886,0.0034013142868158054,-4.6576074317880485,136.92575106871445,8.557859441794653,7.871102105457614,267,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,8.0,7.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,7.0,0.0,1.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.008408411140194,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2636169515058855,0.0,0.0,2.1066680952875485,2.1838803854875284,0.0,0.2636169515058855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.234575640058594,0.0,9.257015948801211,0.0,2.34113386558327,0.0,0.0,0.0,0.0,4.667274545556923,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4383322742039375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2636169515058855,0.0,0.0,0.21281051762991698,0.30232426303854876,0.0,0.2636169515058855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.177235106814382,0.0,1.2087962962962964,0.0,2.34113386558327,0.0,0.0,0.0,0.0,1.4383322742039375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.34113386558327,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2636169515058855,0.0,0.0,0.33368055555555554,0.33368055555555554,0.0,0.2636169515058855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.309321617535903,0.0,1.3979076646090536,0.0,2.34113386558327,0.0,0.0,0.0,0.0,1.6233881330309903,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,27.5,1.71875,0.33368055555555554,2.34113386558327,-0.021833900226757408,1.2087962962962964,9.312650135267285,0.29120370370370374,0.3411338655832703,3.1514190112837293,0.29120370370370374,0.3411338655832703,3.1514190112837293,8.0,0.5,0.0,0.0,0.43913,0.7,0.428,0.428,0.7,0.01113,0.01113,-0.0,0.0,0.71429,0.0,0.0,0.3125,0.1875,0.0,9.5,0.59375,7.5,0.46875,2.0,0.125,-5.5,-0.34375,0.0,0.0,20.30235,1.2689,22.97817,2.67582,0.16724,6.40558,0.40035,7.57457,1.16899,0.07306,0.33943,0.02121,0.33943,0.02121,0.0,15.0,0,0,0,0,0,0,0.75,0.9321115676166747,1.9063614372955666,3.365209510075615,3.963248097126201,4.249014336859389,4.379449119468084,42.877132110367036,87.69262611559607,154.7996374634783,182.30941246780523,195.4546594955319,201.45465949553184,0.16875189869003682,0.3451326250093192,0.6092462684129762,0.7175167271872804,0.7692525893006443,0.7928668410545624,4.591450388440339,3.6172005187614467,2.158352445981398,1.560313858930812,1.274547619197624,1.1441128365889295,0.1678092821100794,0.3432047786434802,0.6058431325766317,0.7135088127952426,0.7649556880481029,0.7884380350033234,6.76453914283198,16.944049238267656,21.64261307489762,23.67909328537694,24.445016305863167,24.576471744819695,62.93903019363514,37.68375065890477,30.607624342720193,24.436688853043936,22.185575890036734,21.42699349447053,16.0,10.173010380622838,9.953125,16,2,13,3.2199999999999998,2.277000000000001,1.6102005289503165,8.65003841873696,4.60136703694437,0.0,8.732356484065601,7.336307426277911,0.0,1.1052094495921163,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.11699999999999999,0.076,0.25500000000000006,0.336,7.569,17.0,16.0,14.0,13.0,13.0,11.0,7.0,5.0,4.0,131.0,2.8903717578961645,3.2188758248682006,3.258096538021482,3.1780538303479458,3.258096538021482,3.4965075614664802,3.4657359027997265,3.044522437723423,2.833213344056216,2.70805020110221,5.497168225293202,1.8549618320610688,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.5333333333333333,13.0,0.8666666666666667,1,6.0,12.0,1.0,3.0,1.5555555555555562,0.75,0.40000000000000024,0.3333333333333334,0.24489795918367346,0.09375,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.2,0.09150326797385624,0.046875,0.028571428571428588,0.025641025641025647,0.018838304552590265,0.008522727272727272,0.007054673721340387,0.008000000000000002,0.008264462809917356,0.45253014980214507,74.50289660584998,113.79780226962056,149.0057932117,9.31286207573125,74.50289660584998,0.054421028589052886,0.0034013142868158054,-4.6576074317880485,136.92575106871445,8.557859441794653,7.871102105457614,0.0,280.01929531306723,5.0,4.174387269895637,4.875197323201151,5.6240175061873385,6.35088571671474,7.107425474110705,7.846589975291186,8.607582191143917,9.354354132115088,10.117993910454674,95.05843349911444,3.4339872044851463,0.0,4.59511985013459,0.0,5.905361848054571,0.0,7.285506548522785,0.0,8.706324840138741,8.988321188323683,222.23475095999999,4.831190238260869,30.303719700248706,1.8939824812655441,0.0,0.0,0.0,571.0,16.0,6.996000000000002,64.0,1.226098269303727,2.1223284624106404,2.972017870448714,3.71032858163653,4.60042528162547,5.579524809126319,6.496749996988874,7.062096235593714,7.878043797048024,7.344693111501412,80.49983815470513,88.02492430443515,100.84452001915268,101.57590074499274,109.39981594451633,143.0680300253016,169.77567200923468,121.86483665909208,89.64454247097115,105.4697529166255,294.0798156072188,362.2835565557777,450.06059029651357,487.2051042089795,534.4034845769612,676.3021290545166,836.161982663027,744.0016852622639,594.7093684780305,635.6912427348922,8.93700423043163,15.136240182523924,21.09367091649313,26.14361092045592,32.16702135154366,39.070852472249925,45.76366744142741,49.4291446497706,54.191588051727166,50.78234798790469,2.1976282193186223,2.9077165046408937,3.742964931915421,4.2012800293951456,4.71552552669856,5.886445123393761,7.271830213301557,6.941032829238277,5.9932739261558305,6.140402058004218,174.66349604093517,326.3203300577172,463.9313562423274,593.1657284039178,754.6582953981123,911.2041757138887,1039.2357385663413,1151.618017173382,1359.0116748935861,1247.2259055624809,2.666622505879075,3.8063981119840817,5.201067453352971,6.020727743765362,7.068279526955336,8.872717693726218,10.996540983829641,11.245698569507537,10.395110321714046,10.243099678331822,0.45448096118363857,0.6100471926018207,0.7902301122374747,0.8930461120776978,1.0075168447978746,1.2547503036173746,1.547734770199923,1.4941061615215308,1.310478873826139,1.3327884735408182,547.4322064653697,467.6639749796978,14.845261937437481,170.38879360688193,-145.56085588148636,-9.550496815943738,377.04341285848784,613.2248308611842,24.39575875338122,0.7626305254517051,0.6515050060288364,0.020681008128688408,0.23736947454829488,-0.2027815512040398,-0.01330484454339235,392.95833391673114,335.69902221769115,10.656240770265907,122.3086542279965,-104.48663914022146,-6.85554717560759,0.06690334160012391,0.09948552389305358,0.407010711865235,0.8791606440925752,717.8210000722518,0.0,1.0,0.0,976.7417631774043,31.252868079224413,9.921863604446495,1277.5677819202228,35.74308019631524,10.850788964608835,1861.41587668042,43.1441291102326,12.301209206874573,2.498658994489687,2.498658994489687,2992.798361377134,1666.4047710297634,1365.071993077065,1.795961229472308,2.192410639552383,1.220744971313529,7.320647555786655,7.065149601388494,10.786417338949944,0.5267075642432426,12.417482690326157,12.8763601070629,8.800567897499514,40.34040322837897,22.53620981417988,13.1001609384097,21.417492415485782,24.224973865457848,38.05405536311558,20.717818255682797,22.7479194417109,27.445374572415503,33.70200339359831,25.012695497603477,19.19691809802243,19.756138664323142,18.27447878081901,10.658742080114802,3.221117459656958,0.23937824501448682,0.010443710893433081,7.68627079478992E-23,1.091069525791408E-64,2.987205330045822E-128,1.577442835833224E-213,1.6067E-320,0.0,0.0,0.0,0.0,1.042120033636691,12.859068563395075,0.7138873742133336,13.807141216109898,2.6987153551655556,0.553837000862589,5.207789564813477,3.9684908558329224,7.579039926944861,2.5603659113287773,2.8630628939684013,4.077366805374378,2.4739306772233465,6.370081724810996,1.9086460982002622,0.9375775157182336,1.6751003491803662,0.3340432150923818,0.09773585326649153,0.0016859605601895352,7.355590975544911E-5,5.413503367782919E-25,7.684491881759855E-67,2.1039131389208537E-130,1.1110058872836782E-215,1.14E-322,0.0,0.0,0.0,0.0,3.364074065993221,12.860224284264318,2.3207799850991133,16.746597922200717,4.719065812785965,2.1360626410566996,7.923954688961716,6.280824291735683,12.003813866804354,4.438096900988002,5.933607118678078,8.104980258420378,6.460639672355723,9.464354956994788,4.771931838319811,3.4802750810332572,3.480274341866328,1.4476426318206863,0.42922785968051885,0.017569008858969355,7.665092915562963E-4,5.641287892533353E-24,8.007833018232094E-66,2.1924397033111793E-129,1.1577537935537522E-214,1.18E-321,0.0,0.0,0.0,0.0,11.721091139630666,12.87446174100629,8.290022279502843,37.83993538813819,20.604013209425155,11.985835868311156,20.21551056269647,22.3401652538922,35.55309285799935,18.959336709692707,21.18092704917248,25.752202457068645,30.945587104069485,23.619850895947557,17.903068468964847,18.14468809138728,16.69822377915703,9.67506544104837,2.9216335298269436,0.213281706656826,0.009305158382256333,6.848328898055182E-23,9.721233043636068E-65,2.661546168792822E-128,1.4054731671683247E-213,1.4313E-320,0.0,0.0,0.0,0.0,4.958022716446107,12.86172249615905,3.436857987576265,19.49978108884553,6.708396982176901,3.512821052747428,9.96446640349361,8.409290824877573,15.574500497586374,6.270047216839451,8.334909631163988,11.090213416131506,9.906320180959783,11.79961139806353,6.935123839068966,5.611330143154686,5.189528726001823,2.507200750716319,0.7476613196497945,0.03816223491008493,0.0016649606073119965,1.2253631128859329E-23,1.739408337532141E-65,4.7622720039158404E-129,2.5147959463338736E-214,2.56E-321,0.0,0.0,0.0,0.0,14.995907153340674,12.884342420745835,10.708470384517836,50.593279257907014,30.50522605464717,17.619143833857205,26.105915518937852,31.93560433762344,48.03533368761529,27.96318497771675,28.946794774808392,34.01259073554116,44.86681575286018,30.455396377431153,24.254823955137798,26.244219638759166,24.74653963444089,14.700076093106292,4.4529072243081025,0.34911067318446526,0.015231170821695814,1.120970358638232E-22,1.5912223629366274E-64,4.356558231616437E-128,2.3005521255039377E-213,2.3434E-320,0.0,0.0,0.0,0.0,7.433849481482152,11.979127540662173,4.636974628774865,24.46481048208853,10.381141161735504,5.970307266175071,12.491498291261967,12.079341186908058,20.781579173236207,9.478239666366779,12.008992280701452,16.30505824166296,15.73071496466392,15.567475657543222,10.332328146403459,9.363440349697566,9.160267723811915,4.743043423043253,1.4208396541195096,0.08103250347030999,0.003535325604917512,2.6018979483850832E-23,3.6934056013567E-65,1.0112060356915443E-128,5.339839550060236E-214,5.44E-321,0.0,0.0,0.0,0.0,8.693615342281904,7.1344752436712495,0.4171531804220905,0.5351483466364559,0.4391731725465604,0.5405433699312011,0.47594150180882894,0.521470455629381,16.245243766375243,68.62712176545011,110.74603434650221,0.4614822787745245,1.537955327369411,7.415167111900172,6.0664466165349,0.08696568069825658,0.5464954648759214,0.4470951920325154,0.4123124583958589,0.3462023517437474,0.02266388671801837,13.568579409133328,46.15615315183198,63.63677199428309,0.49038598536265515,0.7811786968576246,7.901766733068584,6.49301700968773,0.21546357017164564,0.5408373016435294,0.4444152703659128,0.4598065614347439,0.3984402506287465,0.1391189506533519,14.61024731292796,54.407857301461995,80.07274443532398,0.4778788580141633,0.9973657627168423,8.65986490480743,7.108202970360708,0.408707007712721,0.5353270332006517,0.43940791794555994,0.5369781048173884,0.47278498654755335,0.5005676261005697,16.17677488288086,68.00059727794567,109.33577237756501,0.4621024267193175,1.5103307174655116,8.127739949640373,6.681938235701418,0.27384597364939667,0.5388488700630006,0.4429958254628683,0.4822995223445478,0.42140482291853026,0.2247249588961864,15.083524158991189,58.36462708143909,88.32046765165676,0.4727670432888035,1.1284293041592646,8.799944153290353,7.216718654928905,0.44368836246553706,0.5346146058513436,0.4384304186524029,0.5518603453820651,0.48582394469739454,0.5899220989721076,16.460351170684795,70.61312802692451,115.25067230283555,0.4595675367556197,1.627606389051567,8.669347912034231,7.131557914397138,0.40930088528049774,0.5348079803183899,0.4399424412795792,0.5381232204385556,0.47587973062052624,0.5020233969025999,16.210206711711866,68.29328145772217,109.80890698608677,0.46212563239695365,1.5160263479616818 +UMLCN0319,L,4-butyl-4-dodecene,CCCC(CCCC)=CCCCCCCC,Olefins,,C16H32 ,NREL (2014),Unknown,UML,,45,0,-1.4974999999999987,2.2425062499999964,64.27000000000001,49.49737599999996,0,0,48,16,32,0,16,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2340.7399839999966,2551.388631000001,2850.1729350000023,2870.5798949999994,2866.5156390000006,2756.5406540000013,2473.092731999999,2105.9112579999937,1715.4459919999942,7770.950249779037,10024.325250096545,13284.942315237098,14164.885520656366,14040.550542932644,13899.076001433012,13207.460920089005,11743.773268582292,9823.427811964819,335.639104,340.8719640000002,638.9467800000015,846.8199960000027,819.9461400000024,820.3215920000025,838.8328800000025,814.239208000002,708.6248000000011,58.850012955168054,77.46691791999997,111.97069514697978,125.08476379214764,123.30631217275165,122.96881929305364,119.61408381729863,108.90915107639266,92.19993207214776,7946.074562215969,6801.836868162803,14022.008506044474,19786.25082310751,19046.580215010523,19009.318198010722,19680.31774595196,19464.377111927166,17061.219757922747,75.52777777777777,91.33333333333333,146.33333333333331,179.08333333333331,174.99999999999997,175.58333333333331,175.58333333333331,166.08333333333331,142.91666666666669,48.76541633333326,54.28486448936173,31.66858816666669,23.723800785123963,24.500133666666674,23.56017652991454,20.609106099999995,17.999241521367466,16.818097960784257,161.89479687039662,213.28351595950096,147.6104701693011,117.06516959220137,120.0047054951508,118.79552137976933,110.06217433407504,100.37413050070334,96.30811580357665,6.992481333333333,7.252594978723409,7.099408666666683,6.998512363636386,7.008086666666687,7.011295658119679,6.990274000000022,6.959309470085487,6.9473019607843245,1.2260419365660011,1.6482322961702123,1.244118834966442,1.033758378447501,1.0539001040406124,1.051015549513279,0.996784031810822,0.9308474450973732,0.9039209026681153,165.54322004616603,144.719933365166,155.80009451160527,163.5227340752687,162.79128388897882,162.47280511120275,164.00264788293302,166.36219753783902,167.26686037179164,1.5734953703703702,1.9432624113475176,1.6259259259259258,1.4800275482093663,1.4957264957264955,1.5007122507122506,1.4631944444444442,1.4195156695156694,1.4011437908496733,0.07588275707237553,-0.0033479746036727265,-0.030096002815610277,-0.002755015933166527,0.002308564896164701,-0.007685693053779181,-0.006101196970016405,0.00458338816422962,-0.002047500019921841,1291.3707626666678,-53.807115111113305,-403.55336333333526,53.80711511111059,-8.135714324453147E-13,-161.42134533333456,-201.7766816666677,-40.3553363333336,2.0961010704922955E-13,2401.359076685042,-100.05662819521007,-750.4247114640767,100.05662819520919,-6.536993168992922E-13,-300.1698845856321,-375.2123557320406,-75.04247114640957,-1.1084466677857563E-12,0.25297066666666634,-0.010540444444440963,-0.07905333333333031,0.010540444444444878,7.485331798839923E-16,-0.031621333333332446,-0.03952666666666643,-0.00790533333333418,-1.111090386363145E-15,10.735192371722643,-0.4472996821550824,-3.3547476161633076,0.4472996821551156,7.993605777301127E-15,-1.3418990464653247,-1.677373808081664,-0.3354747616163394,-8.881784197001252E-15,58.313735343455846,-2.429738972644845,-18.22304229483068,2.4297389726439107,-1.6076029396572267E-13,-7.289216917932185,-9.111521147415047,-1.8223042294827845,2.9398705692074145E-13,5.041087962962969,-0.8185884452160499,-1.2292390046296306,-0.10820553626543267,0.23491753472222227,-0.3935546875000015,-0.8353587962963003,0.4067925347222225,-0.5560619212962983,0.001580890772341157,-7.123350220580269E-5,-3.3440003128455865E-4,-2.2768726720384522E-5,1.97313238988436E-5,-6.568968422033488E-5,-5.084330808347004E-5,3.9174257813928377E-5,-2.007352960707687E-5,26.90355755555558,-1.144832236406666,-4.483926259259281,0.44468690174471565,-6.953601986712091E-15,-1.3796696182336288,-1.681472347222231,-0.3449174045584068,2.0550010495022507E-15,50.02831409760504,-2.1288644296853207,-8.338052349600853,0.8269142826050346,-5.587173648711899E-15,-2.5655545691079666,-3.126769631100338,-0.6413886422770049,-1.0867124193978002E-14,0.005270222222222215,-2.242647754136375E-4,-8.783703703703368E-4,8.71111111111147E-5,6.3977194861879684E-18,-2.702678062677987E-4,-3.2938888888888693E-4,-6.756695156695881E-5,-1.0893043003560244E-17,0.22364984107755506,-0.009517014513937924,-0.03727497351292564,0.0036966915880588067,6.832141690000964E-17,-0.011469222619361749,-0.0139781150673472,-0.0028673056548405075,-8.707631565687502E-17,1.2148694863219969,-0.05169657388606053,-0.2024782477203409,0.020080487377222404,-1.3740196065446382E-15,-0.06230099929856568,-0.07592934289512539,-0.015575249824639184,2.8822260482425633E-15,0.10502266589506186,-0.01741677543012872,-0.013658211162551451,-8.942606302928319E-4,0.002007842177113011,-0.0033637152777777905,-0.006961323302469169,0.0034768592711301068,-0.005451587463689199,-0.045059091653949175,-0.21152633511127547,-0.014402466709743702,0.012481143064440363,-0.04155232313934907,-0.03216117708636864,0.02477986366883199,-0.01269760691774409,-0.0425531914893634,-0.16666666666666732,0.016528925619834538,-2.5846403295746194E-16,-0.05128205128205163,-0.06250000000000028,-0.012820512820512893,7.638398919022862E-17,-0.0425531914893617,-0.1666666666666669,0.016528925619834562,-1.1168023047531335E-16,-0.0512820512820516,-0.06250000000000046,-0.012820512820513164,-2.1721947641042404E-16,-0.0425531914893477,-0.16666666666666052,0.016528925619835412,1.2139373287167269E-15,-0.05128205128204991,-0.06249999999999971,-0.012820512820514211,-2.0669039262953773E-15,-0.04255319148935907,-0.16666666666666577,0.016528925619834912,3.0548386071205754E-16,-0.051282051282051065,-0.06250000000000004,-0.01282051282051308,-3.893421754173282E-16,-0.04255319148937661,-0.16666666666667332,0.016528925619834146,-1.131001825310854E-15,-0.05128205128205272,-0.06250000000000049,-0.012820512820511339,2.372457355043519E-15,-0.16583825293038626,-0.13005012819041054,-0.008514929826542138,0.01911817949012299,-0.032028469750889764,-0.06628400872460131,0.03310579903393585,-0.051908675305732566,1.4665548614729058,1.3739687388976818,1.0376760084125656,1.0491774140823258,1.1114460667050141,1.0336782704718204,0.9019296996957946,0.9263082849481561,1.4999999999999998,1.3463541666666665,0.9832128099173553,1.0168269230769231,1.0733173076923077,1.0464843750000001,0.9415064102564102,0.9071691176470587,1.499999999999999,1.3463541666666656,0.9832128099173546,1.0168269230769222,1.0733173076923068,1.0464843749999992,0.9415064102564096,0.9071691176470581,1.4999999999999996,1.3463541666666674,0.9832128099173559,1.0168269230769238,1.0733173076923086,1.0464843750000008,0.9415064102564106,0.9071691176470585,1.5000000000000036,1.3463541666666679,0.9832128099173563,1.016826923076924,1.0733173076923086,1.0464843750000008,0.9415064102564112,0.9071691176470602,1.500000000000002,1.3463541666666679,0.9832128099173562,1.016826923076924,1.0733173076923086,1.0464843750000008,0.9415064102564111,0.9071691176470598,1.653082309723336,1.1553514713197859,0.9663700593246298,0.9363227749176538,1.0160098195914966,1.0359315807599574,0.8931589590526556,1.0054630048552529,144.82963144095586,72.41481572047788,108.15815947087742,144.82963144095572,9.051851965059733,72.41481572047788,-1.1368683772161603E-13,0.21001345832898616,0.013125841145561635,-2.4969338608596545,118.25526385112853,7.390953990695533,7.636552865565726,144.82963144095586,72.41481572047788,108.15815947087742,144.82963144095572,9.051851965059733,72.41481572047788,-1.1368683772161603E-13,0.21001345832898616,0.013125841145561635,-2.4969338608596545,118.25526385112853,7.390953990695533,7.636552865565726,144.82963144095586,72.41481572047788,108.15815947087742,144.82963144095572,9.051851965059733,72.41481572047788,-1.1368683772161603E-13,0.21001345832898616,0.013125841145561635,-2.4969338608596545,118.25526385112853,7.390953990695533,7.636552865565726,144.82963144095586,72.41481572047788,108.15815947087742,144.82963144095572,9.051851965059733,72.41481572047788,-1.1368683772161603E-13,0.21001345832898616,0.013125841145561635,-2.4969338608596545,118.25526385112853,7.390953990695533,7.636552865565726,144.82963144095586,72.41481572047788,108.15815947087742,144.82963144095572,9.051851965059733,72.41481572047788,-1.1368683772161603E-13,0.21001345832898616,0.013125841145561635,-2.4969338608596545,118.25526385112853,7.390953990695533,7.636552865565726,144.82963144095586,72.41481572047788,108.15815947087742,144.82963144095572,9.051851965059733,72.41481572047788,-1.1368683772161603E-13,0.21001345832898616,0.013125841145561635,-2.4969338608596545,118.25526385112853,7.390953990695533,7.636552865565726,158.27249919575326,79.01368015343215,118.12122808389458,158.05800266797542,9.878625166748463,79.01368015343215,-0.24513888888895963,0.25413055687669855,0.01588315980479366,-2.19185142490649,94.1873634479946,5.8867102154996624,7.272457642554594,0,11.890000000000004,12.110287805853517,-0.17069334296314015,0.049821942380190457,5.128230928202158,9.719120668753984,15.0,47.0,46.0,46.0,14.0,1.0,1.0,0.0,0.0,1.0,34.982623999999994,3.6476741157252985,3.4488184410594016,3.259882306493967,3.1785762601771537,2.9590807052697508,2.6935001913550676,2.4463391914441908,2.235877447137396,1.9628041763729154,1.8789515278766078,1.7604204225520272,1.7017995562781376,1.524139778973156,1.3741036256731491,1.210867147897628,1.0894928761910017,3.6669437163616347,3.47830816095154,3.2943013341762617,3.2148346331588646,2.9981445465769414,2.7416619065375682,2.501563426679118,2.2993809638620784,1.912746337132237,1.8169516480259638,1.688912515799474,1.6277672776158045,1.4443689051650543,1.2807858767297062,1.1082115880227168,0.9781534948950897,3.7549925972164555,3.607155994098227,3.4448749717119025,3.373135949662211,3.1691755218767867,2.951289474510917,2.7402022696086017,2.5707711125394614,1.773236544910848,1.632709174044055,1.474717872638776,1.4044215234245003,1.2030188834371962,0.9924022370701037,0.7866108217561383,0.6228995972752808,3.6813144795925075,3.499990673584546,3.3196281532250342,3.241502542090168,3.0269112065281827,2.7770862359754913,2.542102184004447,2.3458490790745916,1.881547733323478,1.7773096496498102,1.6430179065898338,1.5801065918669508,1.392938999401474,1.2200866212672903,1.0410826079966653,0.9048347852962426,3.7998950123946647,3.6693929077608813,3.5175197809591685,3.4492278572177635,3.251487049748412,3.051013886643259,2.852530087449009,2.696562370901859,1.7321600228823049,1.5746409781294015,1.406879554771937,1.3332550587638226,1.126042622544098,0.8986885328973803,0.6806262292749179,0.5035302189727963,3.713494813685928,3.498573852339153,3.3712413851758574,3.2960936779748558,3.1214139034113777,2.851823154696711,2.6431163828392203,2.445896890213005,1.8507885095287355,1.755687419357204,1.5773331636657202,1.5150877577628457,1.2783253115766198,1.1170331987173931,0.9078728514459736,0.7776600908869713,0,0,0,1,1,3,11,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.14433756729740646,0.0,0.0,0.0,0.4330127018922194,0.6546479303772353,0.6670301360914136,0.3061862178478973,0.46290599085948186,0.4716615324860241,12.0626316434282,7.846065214951231,5.353371151128521,3.6287750776368126,2.5474030599649575,1.7185614727980232,1.054649340004401,0.640974205409588,0.7539144777142625,0.5230710143300821,0.3568914100752348,0.24191833850912084,0.1698268706643305,0.12275439091414451,0.08788744500036676,0.06409742054095881,11.855524862241651,7.525350549804866,4.918814523256977,3.1632488487954227,2.1081543514771552,1.3793639626850722,0.8244692640906439,0.4791255548590972,0.7409703038901032,0.5016900366536577,0.3279209682171318,0.2108832565863615,0.14054362343181034,0.09852599733464802,0.06870577200755366,0.04791255548590972,24.66924486057394,46.20538965768395,43.60784313725487,44.16000000000002,28.77687185628747,368.4520814371258,0.5139426012619571,0.9626122845350823,0.9084967320261431,0.9200000000000004,0.5995181636726556,7.676085029940121,6.189790000000007,75.62200000000007,76.25867138604612,114.953301320631,152.51734277209226,9.532333923255766,76.25867138604612,0.17558694629225563,0.010974184143265977,-2.7833935012603632,110.27812941824477,6.892383088640298,7.524808998238945,273,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,14.0,3.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,11.0,0.0,1.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.254918456580163,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2043944869614512,0.0,0.0,3.3398530013857397,0.8708333333333333,0.0,0.2043944869614512,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.860468572466227,0.0,15.051279637620278,0.0,2.532842970521542,0.0,0.0,0.0,0.0,1.7220754860586212,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7220754860586212,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2043944869614512,0.0,0.0,0.20699266975308644,0.2902777777777778,0.0,0.2043944869614512,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2817504374466857,0.0,1.3108951684438697,0.0,2.532842970521542,0.0,0.0,0.0,0.0,1.7220754860586212,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.532842970521542,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2043944869614512,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.2043944869614512,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.292692400843104,0.0,1.4329475308641975,0.0,2.532842970521542,0.0,0.0,0.0,0.0,1.7220754860586212,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,26.166666666666668,1.6354166666666667,0.2902777777777778,2.532842970521542,-0.04424748834719078,1.3108951684438697,10.68482259685015,0.18910483155613028,0.532842970521542,2.8974407247594485,0.18910483155613028,0.532842970521542,2.8974407247594485,8.0,0.5,0.0,0.0,0.43333,0.7,0.428,0.428,0.7,0.00533,0.00533,-0.0,0.0,0.71429,0.0,0.0,0.1875,0.0625,0.0,8.5,0.53125,7.5,0.46875,1.0,0.0625,-6.5,-0.40625,0.0,0.0,20.19157,1.26197,21.68395,1.49239,0.09327,7.33094,0.45818,7.84606,0.51512,0.0322,0.06794,0.00425,0.06794,0.00425,0.0,15.0,0,0,0,0,0,0,0.875,0.9182958340544896,1.6872570710061545,3.0110276044371003,3.901754427398839,4.202368167875317,4.193902085446845,44.0782000346155,80.98833940829542,144.52932501298082,187.28421251514428,201.71367205801522,201.30730010144856,0.16442291849514026,0.3021071441013772,0.5391312124384545,0.6986178379702686,0.7524433990976103,0.7509275281446041,4.666666666666668,3.8977054297150024,2.5739348962840567,1.683208073322318,1.3825943328458399,1.3910604152743122,0.16442291849514026,0.3021071441013772,0.5391312124384545,0.6986178379702686,0.7524433990976103,0.7509275281446041,6.732876570223358,14.490227619421873,19.946422312637576,22.391012962178444,22.693979014793793,22.227439394666067,63.19800003846167,43.82075878536548,33.56478750408655,26.158897397005212,24.50006141245852,25.153079564836208,16.0,13.066666666666666,11.324444444444444,16,2,13,3.2199999999999998,2.3200000000000016,0.3080093718011149,7.141555691370003,0.6551853485522243,0.0,18.558922553442763,4.794171849785346,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.103,0.076,0.20300000000000004,0.184,7.675,15.0,15.0,15.0,14.0,12.0,10.0,8.0,7.0,5.0,132.0,2.833213344056216,2.9444389791664403,3.044522437723423,3.1354942159291497,3.1354942159291497,3.044522437723423,2.9444389791664403,2.833213344056216,2.70805020110221,2.3978952727983707,5.262690188904886,1.4545454545454546,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.0,0.7333333333333333,14.0,0.9333333333333333,2,6.0,12.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.1,0.04444444444444447,0.025,0.016000000000000007,0.011904761904761908,0.01020408163265306,0.00625,0.006172839506172838,0.005714285714285715,0.006611570247933884,0.23693161307988156,76.25867138604612,114.953301320631,152.51734277209226,9.532333923255766,76.25867138604612,0.17558694629225563,0.010974184143265977,-2.7833935012603632,110.27812941824477,6.892383088640298,7.524808998238945,0.0,282.6557540138673,5.0,4.110873864173311,4.795790545596741,5.5093883366279774,6.220590170099739,6.947937068614969,7.669961995473577,8.40357646462927,9.131188933670746,9.868326587442539,93.65763396632887,3.4339872044851463,0.0,4.51085950651685,0.0,5.746203190540153,0.0,7.065613363597717,0.0,8.436200032206706,8.736971085254146,224.25040102399998,4.671883354666666,30.67728579174479,1.9173303619840494,0.0,0.0,0.0,584.0,15.0,8.316,60.0,1.2271102008573291,2.1282978724491546,2.9086425885560248,3.7089690051913236,4.78552847454006,5.6644017386618595,6.5960883853620675,7.618650518892382,8.902129751626868,10.3981871949733,78.52023934604733,77.38779811010264,83.04531290545548,111.42902489243819,130.34935225680678,134.62618109364362,138.32256564846293,151.81571236898867,178.793763241656,189.5599282395393,289.5420325252998,341.9957895967624,377.86752529997284,508.6719582446287,621.1444103492197,678.9631910758854,722.3523755958352,809.3305762461314,943.7857338901129,1082.6090444937568,8.937833144623212,15.16996578936691,20.42982228808963,26.156463504066355,33.68163685717153,39.73945406329724,46.05817181924552,53.13242998326853,62.0553585782211,72.58157514763461,2.173504348206435,2.8156543728255348,3.2265590997589335,4.31173304267136,5.358209021145876,5.998605420314715,6.520944808299758,7.372242719359722,8.5847214430371,10.014183842335386,175.21526000897467,327.2929508155172,470.495414273147,591.7277052306385,768.1088968987731,918.3768209415786,1086.0129572839044,1259.2508270617382,1473.7585477188006,1712.3284666432478,2.462491842061182,3.5737874384064114,4.4527251987962755,5.873766566629037,7.453546101988311,8.557869117411128,9.624775774841014,11.00736765395643,12.584386708957208,15.146170542707466,0.44986315465617405,0.5930981534319358,0.6853544455379593,0.9140532044639222,1.1393120772731256,1.2808196031738182,1.3982575896177623,1.5833143554105629,1.843581250964147,2.154720284756684,573.0937824574426,500.94820465275075,15.157188600229144,63.30613538771749,-55.336658391222464,-4.1428219932441195,509.78764706972504,556.2848630439732,19.300010593473264,0.900524601571177,0.7871594426802463,0.023817081327651868,0.09947539842882294,-0.08695264854620269,-0.006509777699644665,364.7168360734885,318.803396285691,9.646033579949425,40.28801935983799,-35.21624485399966,-2.63649157614768,0.06539481819151083,0.09696917601438947,0.8824670679919215,0.6587027608562875,636.3999178451601,0.0,1.0,0.0,950.9930869460579,30.83817580444826,9.833899976608862,1271.3908755116756,35.656568476392614,10.8332732292592,1711.519532069101,41.37051525022502,11.961728841638697,2.1085574841807655,2.0817071420289497,4854.140058713596,4382.940215589923,515.866146234026,1.1075077048615984,9.409689110538151,8.496274174195518,7.891431006977609,8.405621598668358,15.584482031495304,0.8540546762138617,13.04451912219532,13.295378524682851,9.521908210879033,49.3275969899044,34.00337842620033,9.859089967867831,18.453155364546415,13.056415752952114,36.3167967884125,5.334790842164124,15.387084793223819,29.36171450407282,15.015261215747797,24.920364665171256,1.9706377513613353,9.453584115033054,23.378605166155378,11.869906878381938,10.889796075906293,1.810217067640311,11.421725436812851,21.79315279980035,7.292440335793333,2.339915695539647,6.540771271019489,6.444661888384911,10.06852862193833,0.09884021664367833,2.290677429840237,0.49023996632914985,1.0947416131838723,13.28330581607676,0.7806169112247089,10.938283262738574,1.1795563609740336,0.5309672942193027,4.254963849327503,0.9372046829165251,9.00632305628576,0.5518311300636767,1.076904789821348,3.1089100194618013,0.6573360479824505,6.191467991873906,0.06874478345236795,0.4963653513366417,3.7824737962662445,0.4420087137193677,3.180283475144707,1.1934413900715084,0.603348152162807,2.009585744070569,0.6859712429942612,0.896913915376663,0.34638038356260986,0.5313479600565556,0.8230450620007708,0.007572152104667282,0.016229639870473864,0.003452800167466874,3.53394596298942,13.284112846591285,2.5321106764492955,14.289727460047564,4.191265449396847,1.9089378093764267,6.522957378880111,1.8636823452332971,12.513586444510965,1.1849943547981978,3.075303913396115,7.480533079457161,2.1673306730728767,8.81528551972874,0.19831539738138285,1.793346176575841,6.322714472177059,1.7842503069801574,4.378782019653335,1.2420109205172036,2.1583890343968637,4.675347577536874,1.603470009376998,1.1411331565691694,1.2512192661894752,1.3875903710317807,2.1247153753951706,0.024920118301126223,0.1683699490262548,0.035980839867926884,12.31296230584426,13.294053156055208,8.975172553467386,45.390916055130845,30.68911760330297,9.101912869413416,17.36102250155181,11.767098715671027,33.91349628254446,4.920589620026133,14.18463566378238,27.405321306791507,13.633660085501951,23.34957563654329,1.762704737963566,8.717245494888463,21.662533731368296,10.819915673849259,10.285099924609543,1.7451025824380304,10.5283443354162,20.096476928198758,6.735515577524937,2.2337717155693153,6.034351725769016,5.958554801072669,9.295385629811937,0.09279939574463544,2.0410185969559493,0.4367949839432217,5.2083832805988015,13.28515892452637,3.7441923106602824,17.92196925464345,7.353851672487299,3.011080812278089,8.2669714001806,2.9591090859982163,15.53506266761285,1.72152667210248,4.721085367485813,10.77461578678827,3.6257488875837693,10.97250632632605,0.36405899872442454,2.841460125100831,8.499939313563214,2.999738049226434,5.312911615814811,1.298312526232741,3.4198305563443427,6.912829001523143,2.361283628023683,1.3237254896141697,1.9791260810509945,2.079531061200454,3.192127212524042,0.03720954368231431,0.36548527380658435,0.07815519219143005,15.753144735876008,13.300951451943883,11.55939526762375,65.70472281587324,47.756108201289884,12.873896822633954,22.74995177339816,18.451693946945763,46.04555579551934,7.006222869415939,20.209804210047686,37.00186569922603,20.70139473522657,31.217958681755206,2.844412041475784,12.39335643020125,30.318790405838502,16.155385816004177,13.27941337396633,2.0823672909024893,14.991896377601066,28.626474158138784,9.527613281014947,2.753134687600663,8.560244783005869,8.385401871819285,13.166322304277152,0.12172152196718042,3.3404239349465144,0.7149689173679471,8.089875929700446,12.451406117399603,5.755964879319591,26.084825483029213,14.250278661460142,4.8100035427393015,11.56130664825547,5.490513939522347,21.388177919192216,2.8123747894535294,8.308820605910448,16.97977959636797,6.577595270804123,15.113267846833603,0.7663343202439019,4.60310287866691,12.72217269808508,5.319506326485559,7.095114958884417,1.3735801053488832,5.7449913422786985,11.200549802144913,3.9532515465281843,1.8108697235052007,3.546817923218347,3.680098660026775,6.17484780194273,0.0703953278129182,0.8569279302724617,0.18329553043488356,21.992715100488766,2.896646523038379,0.4616614733955928,0.867527713434113,0.11426152356707021,0.5630382577125433,0.4314832084003735,0.5830016634895505,25.351023096922738,75.19558108699769,129.95680454371654,0.8012915701511694,1.5775231296024674,19.445205762276103,2.2043352636125406,0.09952693378680655,0.8940707619438729,0.1013530909784069,0.4402396823484066,0.2502763248149146,0.027095912185471607,21.74906795967545,45.01846520618536,71.03363104965335,0.8411061429158093,0.7176119193487928,20.456980985161618,2.4793116212975903,0.24335501846571939,0.8825406372081496,0.1069607123203893,0.4872045234569313,0.31640286236910203,0.16199557084153565,23.17964762492493,56.300892603955056,91.82331955078467,0.8238109558122243,0.965602956667569,21.929644729126817,2.879508064701951,0.45269604252182605,0.8680934190996783,0.11398643398413802,0.5598159106415231,0.4264081329618073,0.5605778365538682,25.261848836350595,74.37759414165488,128.22565385076916,0.8021401286495176,1.5468018801571985,20.90797651379759,2.601874234068666,0.3074651156817988,0.8778477236302201,0.10924296629288881,0.5089057826765759,0.3483599393865701,0.2585914877956349,23.817315863548053,61.62838435761728,102.17177957052039,0.8167715854453301,1.1158572098587811,22.19017195244878,2.950302102057572,0.4897298437973056,0.8657821077232024,0.11511036407528692,0.5731863819739555,0.44756506538554175,0.6560480791169903,25.630203898303655,77.77975138803221,135.47144714674585,0.7986731615848037,1.6767995264764874,21.975325138985944,2.887532601408773,0.4539375705308833,0.8680136987757836,0.11405600771921726,0.5621332492024681,0.4286720926657825,0.5636568448920152,25.3167953109256,74.74065300450944,128.86181525218174,0.8020205481636754,1.5544621867602657 +UMLCN0320,L,5-butyl-4-dodecene,CCCC=C(CCCC)CCCCCCC,Olefins,,C16H32 ,NREL (2014),Unknown,UML,,45,0,-1.4974999999999987,2.2425062499999964,64.27000000000001,49.49737599999996,0,0,48,16,32,0,16,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2340.7399839999966,2551.388631000001,2850.1729350000023,2870.579895,2866.5156390000006,2877.606663000001,2660.704885000001,2302.6679869999966,1912.2027209999937,7770.950249779037,10024.325250096545,13284.942315237098,14164.885520656368,14040.550542932644,14124.203414872232,13934.505565165757,12750.571613537426,10830.226156919953,335.639104,340.8719640000003,638.9467800000015,846.8199960000026,819.9461400000025,820.3453080000024,841.2516040000023,877.1241080000026,771.5097000000015,58.850012955168054,77.46691791999997,111.97069514697979,125.08476379214764,123.30631217275166,123.97524357790265,124.63409653305364,117.9306799357886,101.2214609315437,7946.074562215969,6801.8368681628035,14022.008506044474,19786.25082310751,19046.580215010523,19014.785110699173,19495.014032772313,20943.332266965743,18540.174912961327,75.52777777777777,91.33333333333333,146.33333333333331,179.25,174.41666666666666,173.33333333333331,178.83333333333331,177.91666666666666,156.5,48.76541633333326,54.28486448936173,31.66858816666669,23.723800785123967,24.500133666666674,24.59492874358975,22.17254070833334,18.27514275396823,17.227051540540483,161.89479687039662,213.28351595950096,147.6104701693011,117.06516959220139,120.0047054951508,120.71968730660028,116.12087970971464,101.19501280585258,97.56960501729687,6.992481333333333,7.25259497872341,7.099408666666683,6.998512363636385,7.008086666666689,7.01149835897438,7.0104300333333525,6.961302444444465,6.950537837837852,1.2260419365660011,1.6482322961702123,1.244118834966442,1.033758378447501,1.0539001040406124,1.0596174664778004,1.0386174711087803,0.9359577772681635,0.9119050534373306,165.54322004616603,144.71993336516604,155.80009451160527,163.5227340752687,162.79128388897882,162.5195308606767,162.4584502731026,166.21692275369637,167.02860281947142,1.5734953703703702,1.9432624113475176,1.6259259259259258,1.4814049586776858,1.4907407407407407,1.4814814814814814,1.4902777777777776,1.412037037037037,1.40990990990991,0.075885908915249,-0.0033352527185972307,-0.030067486486919717,-0.003059258831442855,4.923312769366577E-4,4.216194454388497E-4,-0.013125662098545116,0.006010161977522083,0.0013519325437996188,1291.3707626666678,-53.807115111113305,-403.55336333333526,53.80711511111048,-8.135714324453147E-13,-40.35533633333428,-322.8426906666682,-40.35533633333371,-1.7763568394002505E-14,2401.359076685042,-100.05662819521007,-750.4247114640767,100.05662819520941,-8.810729923425242E-13,-75.04247114640843,-600.3397691712638,-75.04247114641002,-1.5631940186722204E-12,0.25297066666666634,-0.01054044444444097,-0.07905333333333034,0.010540444444444878,7.485331798839923E-16,-0.007905333333332487,-0.06324266666666573,-0.00790533333333418,-1.083334810747516E-15,10.735192371722643,-0.44729968215508187,-3.3547476161633076,0.4472996821551156,7.105427357601002E-15,-0.33547476161632517,-2.683798092930658,-0.3354747616163394,-8.881784197001252E-15,58.313735343455846,-2.429738972644844,-18.223042294830677,2.4297389726439107,-1.5720758028692217E-13,-1.8223042294831788,-14.578433835864228,-1.8223042294827987,2.8332891588433995E-13,5.041087962962969,-0.8185884452160499,-1.2292390046296306,0.05846113040123385,-0.3484157986111125,0.3859592013888893,-1.2207754629629686,0.008463541666664742,0.795609085648149,0.0015809564357343543,-7.096282379994108E-5,-3.340831831879969E-4,-2.5283130838370704E-5,4.207959631937245E-6,3.603585003750852E-6,-1.0938051748787597E-4,4.769969823430225E-5,1.2179572466663232E-5,26.90355755555558,-1.144832236406666,-4.483926259259281,0.4446869017447147,-6.953601986712091E-15,-0.34491740455841263,-2.690355755555568,-0.32028044708995007,-1.6003214769371625E-16,50.02831409760504,-2.1288644296853207,-8.338052349600853,0.8269142826050365,-7.53053839608995E-15,-0.6413886422769951,-5.002831409760532,-0.5955751678286509,-1.408282899704703E-14,0.005270222222222215,-2.2426477541363766E-4,-8.783703703703371E-4,8.71111111111147E-5,6.3977194861879684E-18,-6.756695156694434E-5,-5.270222222222144E-4,-6.274074074074747E-5,-9.759773069797441E-18,0.22364984107755506,-0.009517014513937912,-0.03727497351292564,0.0036966915880588067,6.073014835556412E-17,-0.002867305654840386,-0.022364984107755486,-0.0026624981080661855,-8.001607384685813E-17,1.2148694863219969,-0.05169657388606051,-0.20247824772034084,0.020080487377222404,-1.343654532366856E-15,-0.015575249824642553,-0.1214869486322019,-0.014462731980022212,2.5525127557147743E-15,0.10502266589506186,-0.01741677543012872,-0.013658211162551451,4.83149838026726E-4,-0.0029779128086419872,0.00329879659306743,-0.010173128858024738,6.717096560845033E-5,0.007167649420253595,-0.04488600836554921,-0.2113171341326779,-0.015992300778754028,0.0026616543864364283,0.0022793702105251158,-0.06918629445792965,0.0301714184882936,0.007703926680943501,-0.0425531914893634,-0.16666666666666732,0.016528925619834503,-2.5846403295746194E-16,-0.01282051282051311,-0.10000000000000038,-0.011904761904762005,-5.9483637940168864E-18,-0.0425531914893617,-0.1666666666666669,0.0165289256198346,-1.505255280319441E-16,-0.01282051282051297,-0.10000000000000056,-0.011904761904762294,-2.814971731722058E-16,-0.04255319148934773,-0.16666666666666058,0.016528925619835412,1.2139373287167269E-15,-0.012820512820511465,-0.09999999999999865,-0.011904761904763196,-1.8518712605029746E-15,-0.042553191489359016,-0.16666666666666577,0.016528925619834912,2.7154120952182895E-16,-0.012820512820512537,-0.09999999999999991,-0.011904761904762145,-3.577738909240313E-16,-0.04255319148937659,-0.16666666666667326,0.016528925619834146,-1.106007309834371E-15,-0.01282051282051411,-0.10000000000000182,-0.01190476190476062,2.101059236776517E-15,-0.16583825293038626,-0.13005012819041054,0.004600433953081014,-0.02835495350706012,0.03141032999832219,-0.09686603145448316,6.395854174523359E-4,0.06824859528337889,1.466408022737665,1.373751045291973,1.0389072072507186,1.0548438480819662,1.0417163972172085,1.071531077928315,0.8945092404209701,0.9122660017906776,1.4999999999999998,1.3463541666666665,0.9832128099173553,1.0168269230769231,1.0356570512820513,1.119921875,0.9441964285714286,0.9130067567567567,1.499999999999999,1.3463541666666656,0.9832128099173546,1.0168269230769222,1.0356570512820504,1.119921874999999,0.9441964285714278,0.913006756756756,1.4999999999999996,1.3463541666666674,0.9832128099173559,1.0168269230769238,1.035657051282052,1.119921875000001,0.9441964285714292,0.9130067567567567,1.5000000000000036,1.3463541666666679,0.9832128099173563,1.016826923076924,1.0356570512820522,1.1199218750000008,0.9441964285714294,0.9130067567567579,1.500000000000002,1.3463541666666679,0.9832128099173562,1.016826923076924,1.0356570512820522,1.1199218750000008,0.9441964285714294,0.9130067567567576,1.653082309723336,1.1553514713197859,0.9535279322904155,0.9828068843107289,0.8400342626034271,1.074779015038456,0.8971907440510346,0.8539436003561812,142.8557320530021,71.427866026501,104.84950037296963,142.85573205300204,8.928483253312628,71.427866026501,-9.947598300641403E-14,0.2125854926573516,0.013286593291084475,-2.477457685021554,95.21523323029695,5.950952076893559,7.289823907071848,142.8557320530021,71.427866026501,104.84950037296963,142.85573205300204,8.928483253312628,71.427866026501,-9.947598300641403E-14,0.2125854926573516,0.013286593291084475,-2.477457685021554,95.21523323029695,5.950952076893559,7.289823907071848,142.8557320530021,71.427866026501,104.84950037296963,142.85573205300204,8.928483253312628,71.427866026501,-9.947598300641403E-14,0.2125854926573516,0.013286593291084475,-2.477457685021554,95.21523323029695,5.950952076893559,7.289823907071848,142.8557320530021,71.427866026501,104.84950037296963,142.85573205300204,8.928483253312628,71.427866026501,-9.947598300641403E-14,0.2125854926573516,0.013286593291084475,-2.477457685021554,95.21523323029695,5.950952076893559,7.289823907071848,142.8557320530021,71.427866026501,104.84950037296963,142.85573205300204,8.928483253312628,71.427866026501,-9.947598300641403E-14,0.2125854926573516,0.013286593291084475,-2.477457685021554,95.21523323029695,5.950952076893559,7.289823907071848,142.8557320530021,71.427866026501,104.84950037296963,142.85573205300204,8.928483253312628,71.427866026501,-9.947598300641403E-14,0.2125854926573516,0.013286593291084475,-2.477457685021554,95.21523323029695,5.950952076893559,7.289823907071848,157.62424882273987,78.68955496692544,117.0220963106087,157.409752294962,9.838109518435125,78.68955496692544,-0.24513888888898805,0.2656084442794524,0.016600527767465775,-2.1211713098630756,91.44056755131737,5.715035471957336,7.22510276205436,0,11.890000000000004,12.110287805853517,-0.17069334296441474,0.049821952804262847,5.13760067152391,9.86648361983983,15.0,47.0,46.0,46.0,14.0,1.0,1.0,0.0,0.0,1.0,34.982623999999994,3.6501155187346193,3.434503591255081,3.2830310917896637,3.171144051548013,2.966104191897026,2.6207086569238585,2.535980126334065,2.2125200070995885,1.9652925350656607,1.8683945869669016,1.7774190025762924,1.6946387727310113,1.527488752798162,1.332333476691954,1.2697798713151636,1.068970918046528,3.6694109122850804,3.464243258120463,3.3170691929253717,3.2073453483988565,3.0047991546693145,2.6714683700774846,2.588868598074539,2.2759616728799394,1.9152863251246797,1.8058395895068633,1.7068341245985819,1.6204334655362114,1.448048607134977,1.235601183890297,1.1708457845372222,0.956899496591735,3.757543684832767,3.594200371800649,3.4658751321527315,3.3655330542901227,3.1744337958647018,2.891829664773898,2.8174065404489155,2.547654883417644,1.7757974824730516,1.6199758612877122,1.4953522334792033,1.396822313992835,1.2080413137907424,0.9349098342466112,0.8618881109802498,0.5999366226164353,3.6837992580430754,3.486110694846319,3.342109498532412,3.233978618084821,3.0333062459621343,2.7087779314702067,2.627684562271302,2.322418243746612,1.8841078641528648,1.7658456359489945,1.6615295596190833,1.5726825061595113,1.3968591463944793,1.1725331758998518,1.1062376008409502,0.8831438145333685,3.8024653470540923,3.6569797626819107,3.5376228180504645,3.441648719482101,3.2561935214546023,2.996237407203049,2.9251077126535736,2.6738625018091393,1.7346950026652694,1.5614034041260272,1.4283390257720745,1.325659919251593,1.1316202961483752,0.8366401139648457,0.7603302506295307,0.4802589914492911,3.713589928308562,3.491580726402105,3.3922484869560217,3.283340294015188,3.1215298771389928,2.7798351843898095,2.7503657628841602,2.407848005074573,1.8586905525595319,1.7359810120467063,1.5949224571524947,1.511062375777133,1.2914134341894317,1.0683115737896398,0.9583769149949661,0.7646971081508002,0,0,0,1,1,3,11,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.14433756729740646,0.0,0.0,0.0,0.4330127018922194,0.6123724356957946,0.7093056307728542,0.3061862178478973,0.43301270189221935,0.5015548214532867,12.0626316434282,7.846065214951231,5.353371151128521,3.647777478867205,2.455177354031202,1.7976856180299547,1.110598559653489,0.6670301360914135,0.7539144777142625,0.5230710143300821,0.3568914100752348,0.24318516525781367,0.1636784902687468,0.11984570786866365,0.08543065843488377,0.06063910328103759,11.855524862241651,7.525350549804866,4.918814523256977,3.1745765334549403,2.037040088883112,1.4473602219813242,0.8840188438263596,0.5189288058694812,0.7409703038901032,0.5016900366536577,0.3279209682171318,0.21163843556366269,0.1358026725922075,0.09649068146542161,0.06800144952510459,0.04717534598813466,24.66924486057394,46.20538965768395,43.60784313725487,44.16000000000002,28.77687185628747,368.4520814371258,0.5139426012619571,0.9626122845350823,0.9084967320261431,0.9200000000000004,0.5995181636726556,7.676085029940121,6.189790000000007,75.62200000000007,74.34312343914209,108.30118277145577,148.6862468782842,9.292890429892763,74.34312343914209,0.16793391495783583,0.01049586968486474,-2.8546955845003996,100.93909027098182,6.308693141936364,7.3832276292791965,254,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,14.0,3.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,11.0,0.0,1.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.245700349584278,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2113080672083648,0.0,0.0,3.3398530013857397,0.8708333333333333,0.0,0.2113080672083648,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.84891507452384,0.0,15.072051242558548,0.0,2.509405470521542,0.0,0.0,0.0,0.0,1.7362948790627364,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7362948790627364,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2113080672083648,0.0,0.0,0.20699266975308644,0.2902777777777778,0.0,0.2113080672083648,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2730049008431044,0.0,1.2857218442932727,0.0,2.509405470521542,0.0,0.0,0.0,0.0,1.7362948790627364,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.509405470521542,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2113080672083648,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.2113080672083648,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2903660119542155,0.0,1.4358487654320988,0.0,2.509405470521542,0.0,0.0,0.0,0.0,1.7362948790627364,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,26.166666666666664,1.6354166666666665,0.2902777777777778,2.509405470521542,-0.0511610685941043,1.2857218442932727,10.681275964905707,0.21427815570672715,0.509405470521542,2.855897514882904,0.21427815570672715,0.509405470521542,2.855897514882904,8.0,0.5,0.0,0.0,0.43333,0.7,0.428,0.428,0.7,0.00533,0.00533,-0.0,0.0,0.71429,0.0,0.0,0.1875,0.0625,0.0,8.5,0.53125,7.5,0.46875,1.0,0.0625,-6.5,-0.40625,0.0,0.0,20.30299,1.26894,21.79005,1.48706,0.09294,7.33094,0.45818,7.84606,0.51512,0.0322,0.06794,0.00425,0.06794,0.00425,0.0,15.0,0,0,0,0,0,0,0.875,0.9182958340544896,1.6872570710061547,3.0110276044371003,3.9017544273988394,4.285701501208649,4.394102928664278,44.0782000346155,80.98833940829543,144.52932501298082,187.2842125151443,205.71367205801516,210.91694057588535,0.16442291849514026,0.30210714410137723,0.5391312124384545,0.6986178379702686,0.7673644184101969,0.7867739359211258,4.666666666666668,3.8977054297150024,2.5739348962840567,1.6832080733223176,1.2992609995125077,1.1908595720568789,0.16442291849514026,0.30210714410137723,0.5391312124384545,0.6986178379702686,0.7673644184101969,0.7867739359211258,6.732876570223358,14.490227619421873,19.946422312637573,22.391012962178444,23.693979014793797,22.6020788055743,63.19800003846167,43.82075878536548,33.56478750408656,26.158897397005212,22.707580162097937,23.541677791535356,16.0,13.066666666666666,11.324444444444444,16,2,12,3.2199999999999998,2.3200000000000016,0.3032700123503612,7.214326179108824,0.6223699000246825,0.0,18.826410502522783,5.144916486848134,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.103,0.076,0.20300000000000004,0.184,7.675,15.0,15.0,15.0,15.0,13.0,11.0,9.0,6.0,4.0,134.0,2.833213344056216,2.9444389791664403,3.044522437723423,3.1354942159291497,3.1780538303479458,3.044522437723423,2.8903717578961645,2.70805020110221,2.302585092994046,1.9459101490553132,5.204006687076795,1.3507462686567164,0.45454545454545453,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.0,0.7333333333333333,14.0,0.9333333333333333,2,6.0,11.0,0.8333333333333334,1.5,0.666666666666667,0.375,0.24000000000000005,0.1666666666666667,0.12244897959183672,0.09375,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.1,0.04444444444444447,0.025,0.016000000000000004,0.011111111111111115,0.009419152276295133,0.008522727272727272,0.005486968449931412,0.006666666666666668,0.008264462809917356,0.23491553303109344,74.34312343914209,108.30118277145577,148.6862468782842,9.292890429892763,74.34312343914209,0.16793391495783583,0.01049586968486474,-2.8546955845003996,100.93909027098182,6.308693141936364,7.3832276292791965,0.0,282.6557540138673,5.0,4.110873864173311,4.795790545596741,5.5093883366279774,6.22455842927536,6.953684210870537,7.682021510826875,8.418697944667139,9.153452509769135,9.894194505624535,93.74266185743163,3.4339872044851463,0.0,4.51085950651685,0.0,5.746203190540153,0.0,7.065613363597717,0.0,8.438366410870266,8.738575192110787,224.25040102399998,4.671883354666666,30.681590709251847,1.9175994193282404,0.0,0.0,0.0,568.0,15.0,8.316,60.0,1.2271216186841796,2.1282934583707926,2.9035698262102283,3.6863969720660257,4.80045501319324,5.679434187256132,6.55630414402791,7.357851004313522,8.544469766575007,9.627742719091867,78.52773690600756,77.13550593889093,82.80910929649902,111.29885487255059,135.87257782577748,142.16419120224242,136.04186905775467,147.3452871468593,150.47137078601872,139.109137757501,289.5605373696755,341.4200450793685,376.54812364528124,507.8240596572825,631.9972186644919,711.3080748226824,710.6661692938604,786.2313096008213,862.4711110567071,862.034931493963,8.937937961317113,15.169216110045495,20.39108477126061,26.005127774804265,33.783921157782835,39.95459778203868,45.750865274490884,51.33425724579587,59.53228087713666,66.73890635530516,2.1736103566590774,2.812580926168326,3.215684253385297,4.301291963384546,5.411973443304352,6.231513466531165,6.427135178430251,7.155697852916237,8.026684463025886,8.304676401914799,175.2155422186963,327.33529624902116,469.9220535681054,587.5216698320781,771.0428046801018,912.3300632379695,1081.77474934314,1214.5096623853995,1415.6872901188524,1621.0429056563842,2.463112821324448,3.5735762513114984,4.4441260650375956,5.809088328166837,7.360366496069988,8.725969769127234,9.447771577751745,10.710960788256742,12.378144415583105,13.352798476236353,0.44988385373498385,0.5925085711173037,0.6830806476262314,0.9116797692754838,1.1495330238978514,1.328094130511808,1.3787328111950528,1.5364548318840083,1.729402234129224,1.800365146420241,557.5641045725848,487.3734291640399,14.828802330482766,71.35699016131693,-62.37399557205229,-4.537922292275109,486.20711441126787,549.7474247360922,19.366724622757875,0.8865406316327991,0.7749357323914359,0.023578160209043186,0.11345936836720075,-0.09917618616122724,-0.007215407990401586,350.6638270321178,306.51943061406377,9.326146595279857,44.877916369171714,-39.22832157810267,-2.853995055875039,0.06539470680038016,0.09697896624437481,1.0792119858412057,0.7838134310355737,628.9210947339019,0.0,1.0,0.0,950.1060023813395,30.823789552573505,9.830841344242245,1270.5393525857505,35.644625858406066,10.83085413562046,1734.0038835864575,41.64137225868592,12.013881813750595,2.0689496472175715,1.93317157409414,4363.382123928619,3838.670014608585,569.2649519816673,1.136691121488216,7.664940742863681,6.743204550439645,7.708555969481559,8.437319812594518,15.611968501761716,0.8503468931517195,13.05736107250337,13.468764652508733,8.785740987150614,51.34535241640031,31.5811669153924,7.918104836395688,19.8805286340099,17.87279394896954,40.86842190573562,11.450132568815226,15.041933753093547,34.32626180889047,21.345876740560648,17.891040302834178,2.785160013778424,11.28517249729983,29.510460989801327,3.992535632980243,12.839502047531917,6.08515969658338,14.75195355086565,15.911298858008575,0.018266700403202638,7.915274070766633,3.337830605871654,4.72234064084751,4.3079421834342195,0.11856131855318783,0.060082558920080756,0.28544824674166436,1.0958153056948983,13.457120693108925,0.6984415270796941,11.135242514084078,1.6090065539074832,0.23667259652810552,4.587678632275214,2.9531280867270873,10.716042402849448,2.968079466784848,0.7302700695843887,5.128541091336701,0.9560204565057286,6.146682350831457,1.0653856973186981,1.0091006350681437,3.0358886080557146,0.18360403416157384,3.464664866568479,0.6002165260330623,0.43946502963203826,1.2493186718961475,0.0010415622568437806,1.7998898776090073,0.07838255535883995,0.18203442846922338,0.1561221414093547,0.006244889496402501,4.624389092225448E-4,0.0020104353415588516,3.5374218078071697,13.457899069281916,2.280276687364015,14.698290154655478,4.180066413192708,1.0457107974894395,6.821844860231629,4.588039739363022,14.680192036395846,3.887214575146837,2.5282790477550505,9.805068744047713,3.3973326847134473,7.751125660396412,1.180550830726578,2.8247389314551965,7.219266457943804,0.6140807566342696,4.77066071105289,1.7086647998393465,1.6901037079269325,3.493468558351222,0.0036758218911358614,2.629961571305759,0.3859595635669446,0.7286581307063027,0.6056026498684837,0.022600687159740358,0.004510618627306341,0.02095028631283913,12.32508381184265,13.467486355207166,8.266248288046288,47.24057976316461,28.491518051117993,7.17937729740673,18.63036780491012,16.46043090218368,38.24755530013093,10.643526310976494,13.768395259908221,32.0847916853425,19.488900471215295,16.891581946494696,2.596431027603538,10.556342290547637,27.457882239522668,3.6365958394157496,12.050629547996976,5.7454324753017785,13.284663519058952,14.748847282659803,0.016900252915343725,7.392946284938832,3.011730908547444,4.309902015201796,3.912973473868155,0.10936100445036298,0.0535595197670099,0.2543292487671917,5.213508127668159,13.458907999411537,3.386631123754585,18.52331616923471,6.998165561745555,1.8264250250952938,8.619026417489826,6.129165018835988,18.051889144327465,4.759340732486293,4.096088854177924,13.396411437146373,5.5841261087292136,9.087933489446277,1.3296449876557332,4.154827678815889,10.453459503949453,1.012623217537211,5.847597394171225,2.472889138308893,3.044736527838113,5.256303569271423,0.005745970835079264,3.3239545555134913,0.7033236789767179,1.2167724487224763,1.032329726281513,0.03577931133837325,0.009701025733388794,0.045506821387595646,15.768654167187218,13.474139652194557,10.736886204814803,68.40913838167322,44.44544841240067,10.95811447276222,24.86577075911425,23.668706306511982,51.452219637142704,14.762886660996264,20.208478589380757,43.14090715862894,28.91258427980938,21.910045506863533,3.5786847532595716,14.096945952442526,37.60054040184006,5.449804932821635,16.00440333314096,7.347493585789196,20.855806112922835,20.51605752124336,0.023680221299059338,10.017202997001634,4.688928818035247,6.40211209088445,5.930198254174517,0.15526510267292878,0.08749666942026214,0.4162994409975165,8.096911329362836,12.618307514460533,5.080280645686846,27.079563842492078,13.887936350981116,3.404162690988396,12.182078929689231,10.144176454633358,25.421444372213347,6.537768433137533,7.667580474642256,19.431758792466674,10.022048997757189,11.746324820477648,1.565085499430202,6.525644402058608,15.980243558367343,1.7789821290052434,8.777246886026308,4.120036698044847,6.155327343368014,8.617709280662892,0.009041405095709214,5.034617306562096,1.514841406849034,2.1272687187627284,2.145421732758189,0.07063848314540244,0.022655225925083747,0.10672607578283823,19.38823413175142,3.0817044936267117,0.4604887704638698,0.845524324385995,0.1343936787757179,0.5258452664730678,0.40246063642355445,0.5831095012857852,22.930427395842003,70.09596265730413,120.5400452996292,0.7682864865789925,1.5114154041824075,17.01876566661709,2.4453145464800565,0.09927411746091463,0.869930860477934,0.12499464586502237,0.4044962862561758,0.24906728589029098,0.027100924029265765,19.56335433055806,43.54851463305779,67.24328398987848,0.8048962907169009,0.6806644961757325,17.95938727997015,2.6985223277773387,0.24273685307447632,0.8592742484609185,0.12911190727213578,0.45074154198665306,0.3056310014514947,0.162025535019782,20.900646460821967,53.4782435374814,86.14284213541517,0.7889113726913777,0.9183980784579298,19.32952977431489,3.065992265874766,0.4515461133941193,0.8460398351498275,0.1341963111093463,0.5226442303387658,0.3982244527701892,0.5606815266102254,22.847068153583773,69.37679972572543,118.98438199136112,0.7690597527247413,1.4815502097191804,18.37886309649445,2.8111854097885005,0.30668409915875605,0.8549607716589454,0.13077268352293103,0.4721829004761034,0.3326976164528995,0.25863931934157464,21.496732605441704,58.165042722645225,95.50703614956511,0.782441157488418,1.0635198362705776,19.572034311341483,3.1308827739170573,0.48848584216447827,0.843934900039973,0.13500187046532222,0.5359314975065247,0.41586638072400106,0.6561694283192676,23.19140292742302,72.36779864787549,125.49251248463615,0.7659023500599595,1.6079673065497935,19.37682620430475,3.07236592534297,0.4527844876996507,0.8460765866657791,0.13415287146070048,0.5252096093503758,0.3999123521231561,0.5637611044750093,22.90197661734737,69.69734652909223,119.55480647603704,0.7691148799986688,1.4888830659485413 +UMLCN0321,L,"3,12-diethyl-3,11-tetradecadiene",C(C(CC)=CCCCCCCC=C(CC)CC)C,Olefins,,C18H34,NREL (2014),Unknown,PubChem,,26,0,1.1311999999999989,1.2796134399999974,80.149,54.35096199999996,0,0,52,18,34,0,18,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2631.300353999997,2864.1310490000023,3297.1045140000033,3492.0004750000016,3240.7287520000036,2743.5937330000006,2407.6483319999975,2192.602450999996,1995.8457219999948,8680.15154213957,11100.832286336245,14732.397125717469,16193.564615412042,16385.79483892118,15192.031024498834,12994.89574968306,11428.59000497117,10421.791660016035,364.1570639999999,370.18826000000024,682.1228880000014,878.5787320000023,889.2177280000014,1024.6459720000032,916.6602720000027,732.8430200000015,669.958120000001,65.31703876486604,85.27180653999994,122.34016526667777,138.91608941275197,143.0307435145641,139.98330198973187,120.26691883942955,103.2423576927517,94.22082883335577,8569.498578444467,7361.670675768604,14925.34942607587,20166.247830222106,20016.81370106751,24328.815115870242,22121.895300422373,17314.422408947346,15835.46725390876,86.05555555555556,103.91666666666667,163.5,198.41666666666666,206.16666666666663,213.91666666666669,183.66666666666669,153.66666666666669,140.33333333333334,50.60192988461532,56.15943233333338,34.34483868750004,27.936003800000012,25.72006946031749,18.663902945578236,18.239760090909073,20.88192810476187,20.79005960416661,166.92599119499175,217.66337816345577,153.46247005955698,129.54851692329635,130.04599078508875,103.34714982652268,98.44617992184136,108.84371433305877,108.5603297918337,7.003020461538459,7.258593333333338,7.105446750000014,7.028629856000019,7.057283555555567,6.970380761904784,6.944396000000021,6.979457333333348,6.978730416666678,1.2560968993243469,1.6719962066666656,1.2743767215278934,1.1113287153020157,1.135164631067969,0.9522673604743664,0.91111302151083,0.983260549454778,0.9814669670141226,164.79804958547052,144.34648383860008,155.472389854957,161.32998264177684,158.8636008021231,165.5021436453758,167.5901159122907,164.8992610375938,164.9527838948829,1.65491452991453,2.0375816993464055,1.703125,1.5873333333333333,1.6362433862433858,1.455215419501134,1.3914141414141417,1.4634920634920636,1.4618055555555556,0.08820628022574642,-0.0019722042652404754,-0.022389092436642558,-0.006991439443488241,-0.034909720535272394,0.00636734098648135,0.01201920957613112,-3.3593906352729556E-4,-0.0017816666629671025,1424.8537982307694,-51.75750976479485,-283.68129919526757,90.4413232914199,-677.3249201745571,-149.1834104985187,266.4884931834337,5.193660149409144,5.014568420119051,2649.5764812462357,-96.24529953245327,-527.5174894788927,168.1795026432048,-1259.5146118744706,-277.41292218176386,495.5467325407761,9.65783282505577,9.324804106950346,0.2791190769230765,-0.010138940828402356,-0.05557121893491106,0.01771683431952676,-0.13268330177514806,-0.029224005917159984,0.052203266272189304,0.0010174023668639669,9.82319526627317E-4,11.844839660145944,-0.4302612697061284,-2.358248620119534,0.7518406269951887,-5.630616339199566,-1.2401648362118707,2.2153244613244047,0.0431750063026842,0.04168621298190342,64.34135702559192,-2.3371860458023805,-12.810043932697795,4.084010218441653,-30.58559731910429,-6.736595073192069,12.033677633746237,0.23452731947503058,0.22644017052760934,6.463675213675217,-1.124630177514799,-0.9179815910585167,1.268943129520051,-3.059418145956605,-1.519107495069023,0.9447731755424129,0.1374506903353087,0.24654832347140293,0.0016962746197258928,-3.86706718674603E-5,-2.3321971288169332E-4,-5.593151554790593E-5,-2.7706127408946347E-4,4.331524480599558E-5,9.105461800099333E-5,-3.19941965264091E-6,-1.8559027739240653E-5,27.40103458136095,-1.0148531326430361,-2.955013533284037,0.7235305863313592,-5.375594604559977,-1.0148531326429844,2.018852221086619,0.0494634299943728,0.05223508770957345,50.95339387011992,-1.8871627359304564,-5.494973848738465,1.3454360211456384,-9.99614771328945,-1.8871627359303664,3.7541419131876976,0.09197936023862638,0.0971333761140661,0.00536767455621301,-1.9880276134122266E-4,-5.788668639053235E-4,1.4173467455621408E-4,-0.0010530420775805402,-1.9880276134122437E-4,3.954792899408281E-4,9.689546351085399E-6,1.0232495069034553E-5,0.22778537807972968,-0.00843649548443389,-0.024565089792911814,0.00601472501596151,-0.04468743126348862,-0.008436495484434495,0.01678276107063943,4.1119053621603997E-4,4.342313852281606E-4,1.2373337889536908,-0.04582717736867413,-0.1334379576322687,0.03267208174753323,-0.2427428358659071,-0.04582717736865353,0.09116422449807755,0.0022335935188098153,0.002358751776329264,0.12430144641683111,-0.022051572108133317,-0.009562308240192883,0.010151545036160408,-0.024281096396480992,-0.010334064592306279,0.007157372541987977,0.0013090541936696069,0.0025682117028271137,-0.022797412292656503,-0.13748936060800115,-0.03297314886250206,-0.16333515273266,0.025535514298383504,0.05367917254796112,-0.0018861448585240966,-0.010941051362449598,-0.03703703703703842,-0.10784313725490244,0.02640522875816987,-0.19618217657433365,-0.037037037037036535,0.07367795603089769,0.0018051665110491628,0.00190631808278894,-0.037037037037038784,-0.1078431372549028,0.026405228758169707,-0.19618217657433393,-0.03703703703703702,0.07367795603089751,0.0018051665110489314,0.0019063180827887313,-0.03703703703703705,-0.10784313725490176,0.026405228758170172,-0.19618217657433393,-0.03703703703703737,0.07367795603089726,0.001805166511048976,0.0019063180827888643,-0.037037037037034655,-0.10784313725490104,0.026405228758170026,-0.1961821765743325,-0.03703703703703731,0.07367795603089637,0.00180516651104846,0.00190631808278831,-0.03703703703705232,-0.10784313725490836,0.026405228758168208,-0.19618217657433754,-0.037037037037035675,0.07367795603090051,0.0018051665110500033,0.0019063180827898203,-0.1774039863879445,-0.07692837465564756,0.08166876033057836,-0.1953404171585987,-0.08313712261764147,0.05758076634109729,0.010531286894923482,0.020661157024793587,1.3675434491329983,1.301303226069417,1.177298447345431,1.30835180600856,0.8962207086230004,0.7781590904180314,0.9267132983705524,0.9082237376582317,1.4444444444444455,1.2638888888888897,1.005333333333334,1.2724867724867732,0.9727891156462594,0.8207070707070713,0.9492063492063498,0.9479166666666673,1.4444444444444435,1.2638888888888882,1.0053333333333327,1.2724867724867717,0.9727891156462579,0.8207070707070703,0.9492063492063487,0.9479166666666663,1.4444444444444442,1.2638888888888902,1.0053333333333345,1.2724867724867748,0.9727891156462599,0.8207070707070712,0.9492063492063495,0.9479166666666666,1.444444444444442,1.263888888888885,1.0053333333333303,1.2724867724867694,0.9727891156462556,0.8207070707070685,0.9492063492063467,0.9479166666666644,1.4444444444444462,1.26388888888889,1.005333333333334,1.2724867724867732,0.9727891156462593,0.8207070707070714,0.94920634920635,0.9479166666666676,1.6115702479338838,1.1072830578512387,0.8889679338842967,1.3098229043683582,0.988517456569404,0.7123140495867765,0.8391216056670598,0.8219008264462806,183.43500905486627,91.71750452743315,145.9914549508813,183.43500905486627,10.190833836381461,91.71750452743315,1.4210854715202004E-14,3.3306690738754696E-16,1.850371707708594E-17,-64.14873890581619,120.67006796600471,6.7038926647780395,8.627508198583154,183.43500905486627,91.71750452743315,145.9914549508813,183.43500905486627,10.190833836381461,91.71750452743315,1.4210854715202004E-14,3.3306690738754696E-16,1.850371707708594E-17,-64.14873890581619,120.67006796600471,6.7038926647780395,8.627508198583154,183.43500905486627,91.71750452743315,145.9914549508813,183.43500905486627,10.190833836381461,91.71750452743315,1.4210854715202004E-14,3.3306690738754696E-16,1.850371707708594E-17,-64.14873890581619,120.67006796600471,6.7038926647780395,8.627508198583154,183.43500905486627,91.71750452743315,145.9914549508813,183.43500905486627,10.190833836381461,91.71750452743315,1.4210854715202004E-14,3.3306690738754696E-16,1.850371707708594E-17,-64.14873890581619,120.67006796600471,6.7038926647780395,8.627508198583154,183.43500905486627,91.71750452743315,145.9914549508813,183.43500905486627,10.190833836381461,91.71750452743315,1.4210854715202004E-14,3.3306690738754696E-16,1.850371707708594E-17,-64.14873890581619,120.67006796600471,6.7038926647780395,8.627508198583154,183.43500905486627,91.71750452743315,145.9914549508813,183.43500905486627,10.190833836381461,91.71750452743315,1.4210854715202004E-14,3.3306690738754696E-16,1.850371707708594E-17,-64.14873890581619,120.67006796600471,6.7038926647780395,8.627508198583154,205.75658484126018,102.72211958112388,165.63082285651063,205.47894423769355,11.415496902094086,102.72211958112388,-0.3123456790124095,3.885780586188048E-16,2.1587669923266933E-17,-63.87126768212712,113.73835411829423,6.318797451016346,8.521021208181773,0,11.889999999999997,12.110335656157295,-0.1589080182939221,0.06305694437012002,5.682971816528603,8.947848572873811,17.0,51.0,49.0,49.0,15.0,2.0,2.0,0.0,0.0,2.0,37.16903799999999,3.636258669244943,3.6009119801217464,3.36750613952151,3.0695969545782096,2.902564077577705,2.902564077577703,2.753262681993049,2.4613337708943517,1.9584203771776811,1.9097084808056648,1.7987533158523188,1.6057916309430602,1.5630263350622533,1.563026335062253,1.362778168016612,1.147966895514106,3.6561254020463676,3.61960574407353,3.3964596585531033,3.106253355286848,2.9503089512514644,2.9503089512514613,2.795832753278241,2.5093995932115085,1.907822282055998,1.8601969002402123,1.7353204598018466,1.5294234748724653,1.473453683820618,1.4734536838206147,1.2779277542364382,1.0529308005892537,3.746765226778712,3.7053211349096853,3.523931141433492,3.2675046458864268,3.155598407702867,3.1555984077028607,2.981883942407615,2.719639670100229,1.7654968766812054,1.7231449020803873,1.5494134714133603,1.2995608229928122,1.195492746415068,1.195492746415066,1.0185551730849662,0.7610434144313528,3.670937694536412,3.6335619289966656,3.4177978751357574,3.1332875330197147,2.9852679791261028,2.9852679791260988,2.8271789473281737,2.5448154216536474,1.8761541650604292,1.8294296699882853,1.694990809061574,1.4802766370606424,1.4151331810518306,1.4151331810518275,1.2229939449682226,0.9912749821538097,3.792825609035632,3.749229690483662,3.5861204334685093,3.3455512884946192,3.2522175179205757,3.2522175179205752,3.0709559316782453,2.820159051084481,1.7232935745325813,1.6830455527523482,1.4916065945000156,1.2267196280750152,1.104407162995441,1.1044071629954337,0.9350610102791153,0.666743560174206,3.6911660267272524,3.668744159731841,3.3936250287840086,3.14900074637303,3.0962067534037105,3.09620675340371,2.9106173008132323,2.6422873237971714,1.8654605020655546,1.7870647756104419,1.67405681194017,1.4487201567123713,1.2933468925595875,1.2933468925595872,1.1388786414236682,0.8675375194894497,0,0,0,2,2,4,10,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,1.1051717155225391,1.1897227048854204,0.5525858577612696,0.7814744144215573,0.8412609923560825,0.39073720721077865,13.639981912617825,8.777916867529369,6.0637145821736,4.784145948150093,2.9669790350883387,1.5647227048854206,1.0180376876527195,0.6573613524427102,0.7577767729232125,0.5163480510311393,0.3368730323429778,0.2517971551657944,0.18543618969302117,0.1203632849911862,0.08483647397105996,0.059760122949337295,13.22576835024473,8.136487537236638,5.130522265327406,3.8407702751760286,2.3319512300735075,1.1703851375880139,0.7391989197401168,0.46229716284470795,0.7347649083469294,0.47861691395509637,0.2850290147404115,0.2021458039566331,0.14574695187959422,0.09002962596830875,0.06159990997834306,0.04202701480406436,27.21107266435981,50.09322651128921,47.333333333333286,47.92000000000003,31.575426347305438,398.2230311377246,0.5232898589299964,0.963331279063254,0.9102564102564094,0.9215384615384621,0.6072197374481815,7.658135214187012,6.672180000000007,84.49200000000008,99.24950128595829,157.60045838786,198.49900257191655,11.027722365106477,99.24950128595829,8.881784197001252E-16,4.9343245538895844E-17,-62.38324625039508,127.35836625944003,7.075464792191113,8.724608809698578,350,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,14.0,6.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,10.0,0.0,2.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.194595526227019,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.452225900001874,0.0,0.0,3.762805144440696,1.777947711109237,0.0,0.452225900001874,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.058389286571522,0.0,13.080348520534793,0.0,4.928916393717981,0.0,0.0,0.0,0.0,3.265679132509039,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6328395662545194,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.226112950000937,0.0,0.0,0.24256944444444445,0.29484389348025714,0.0,0.226112950000937,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.26459732164288,0.0,1.2342332075461446,0.0,2.4644581968589905,0.0,0.0,0.0,0.0,1.6328395662545194,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4644581968589905,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22611295000093704,0.0,0.0,0.29928606859410434,0.29928606859410434,0.0,0.22611295000093704,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2645973216428805,0.0,1.4014205404383975,0.0,2.4644581968589905,0.0,0.0,0.0,0.0,1.6328395662545194,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,30.333333333333336,1.6851851851851853,0.29928606859410434,2.4644581968589905,-0.007515522221285209,1.2342332075461446,11.137587991253929,0.2657667924538554,0.46445819685899054,3.9746113605790043,0.2657667924538554,0.46445819685899054,3.9746113605790043,9.0,0.5,0.0,0.0,0.43846,0.7,0.42857,0.42857,0.7,0.00989,0.00989,-0.0,0.0,0.71429,0.0,0.0,0.22222,0.11111,0.0,10.5,0.58333,8.5,0.47222,2.0,0.11111,-6.5,-0.36111,0.0,0.0,22.81418,1.26745,25.72032,2.90614,0.16145,7.74766,0.43043,8.7779,1.03025,0.05724,0.1361,0.00756,0.1361,0.00756,0.0,17.0,0,0,0,0,0,0,0.7777777777777778,0.930586129131993,1.902174814211728,2.939884429263502,3.1996877947313274,3.4116022179746714,3.4116022179746714,48.39047871486363,98.91309033900986,152.87399032170208,166.38376532602902,177.40331533468293,177.40331533468293,0.1632481308714648,0.3336891377270849,0.5157294129271478,0.5613054348331469,0.5984805360045438,0.5984805360045438,4.7698535890091,3.7982649039293648,2.760555288877591,2.5007519234097653,2.288837500166421,2.288837500166421,0.16246491837899618,0.33208820361608604,0.5132551076056611,0.5586124702870597,0.595609217173536,0.595609217173536,6.761451457427647,16.100799663239226,17.99218130985087,19.41871785423401,19.632290514620497,19.632290514620497,70.84465151823343,45.09808926087714,43.852208544160234,38.86558577942389,37.4695561283242,37.4695561283242,18.0,13.432098765432098,10.637119113573407,18,2,14,3.44,2.5588000000000006,0.6836529388632395,8.71076917033759,1.7056057308448833,0.0,17.46606826617161,6.756957667866331,0.0,0.1111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.121,0.088,0.279,0.328,8.59,18.0,19.0,16.0,13.0,12.0,11.0,10.0,9.0,8.0,151.0,2.995732273553991,3.2188758248682006,3.4011973816621555,3.295836866004329,3.1780538303479458,3.1354942159291497,3.091042453358316,3.044522437723423,3.044522437723423,3.2188758248682006,5.5093883366279774,1.6291390728476822,0.46153846153846156,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.0,0.6470588235294118,15.0,0.8823529411764706,2,7.0,13.0,0.8571428571428571,2.5,1.1111111111111116,0.625,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407407,0.04000000000000001,0.06611570247933884,0.14705882352941177,0.06172839506172842,0.03289473684210526,0.015000000000000006,0.012820512820512824,0.01020408163265306,0.008522727272727272,0.007407407407407407,0.004444444444444445,0.008264462809917356,0.3212071960286658,99.24950128595829,157.60045838786,198.49900257191655,11.027722365106477,99.24950128595829,8.881784197001252E-16,4.9343245538895844E-17,-62.38324625039508,127.35836625944003,7.075464792191113,8.724608809698578,0.0,314.61126456480116,5.169925001442312,4.2626798770413155,4.976733742420574,5.700443573390687,6.424869023905388,7.152268856032539,7.878912912297133,8.607216694063826,9.334414687078109,10.062924236792623,99.40046360302219,3.5553480614894135,0.0,4.672828834461906,0.0,5.963579343618446,0.0,7.323170717943469,0.0,8.713582005421628,9.005159521036145,250.26605108799998,4.81280867476923,34.49666491396401,1.9164813841091117,0.0,0.0,0.0,865.0,19.0,8.326000000000002,70.0,1.2291936216220691,2.1331032516771065,2.946860776035952,3.76412715841267,4.608720804815102,5.468226032078054,6.860760093429285,7.873325383183514,9.075230586715476,10.103223283933051,80.86598491409106,84.32020550380007,96.34307535904367,112.97532849455992,103.3883368967094,122.92110091253605,165.3471496662486,188.34116275365545,209.13694883081527,225.17384035727164,295.2028942868044,358.017496074224,419.51794225911755,538.6701000531862,526.0293934166234,614.8090549631573,812.5469597824956,933.17523382941,1044.9005606462763,1128.9356351229596,8.96008751050172,15.222442521832662,20.788749304892708,26.68802730219577,32.23771447804314,38.18828705678239,48.04450703481417,55.1559732832983,63.473898300711795,70.53580852430363,2.20524159670696,2.90274181667557,3.4984112267874496,4.5820921289236365,4.6926162995435,5.4802777785115895,7.15581244457752,8.230649110119247,9.275154821107579,10.07830353999709,175.07198675561995,326.9621355090043,470.0618845009994,588.9221281240483,754.607506679589,900.3659511318689,1119.6569790421913,1283.136589703627,1486.820254312772,1665.1900062602538,2.5890621002149445,3.7731810837126827,4.8550915801551175,6.402332064604407,6.895550973013752,8.002760967389344,10.35021589674691,11.919762819719063,13.676982614410688,15.906059510198588,0.45602589473665917,0.6098949990661592,0.7397783978471243,0.9708180036372678,1.0040775881643091,1.1729759534828388,1.5278935489600964,1.7576084555764766,1.9832603816977228,2.157756573871178,593.0257479478369,578.7433928980889,16.773077417066464,122.20945957112276,-119.26618282795829,-7.268512595262315,470.8162883767141,698.0095757260472,24.04159001232878,0.8291338873053403,0.8091651345096115,0.023451135012284522,0.1708661126946595,-0.16675099544061067,-0.010162408839569937,424.1528938975575,413.93765071969153,11.996695507127109,87.4085081771319,-85.30337302494894,-5.198696114426615,0.05857284705295971,0.08687123631318036,1.0314180744089412,0.8004710871688,715.2352075189598,0.0,1.0,0.0,1095.573842990019,33.09945381709522,10.308936985271364,1435.9442176477598,37.8938546158577,11.281820607288607,2009.8011604548835,44.83080593135577,12.61975811761201,2.6618630904067127,2.476219896506233,7294.896539792293,7011.169875917741,328.36347577984907,1.0404678062143535,22.215919485159635,21.351856686455505,8.01886692673175,9.606752642282407,18.02532601452745,0.8763183237582486,13.835795341540067,14.685958641905465,12.121901677057545,44.04059120877802,33.06258949947058,11.143672957354166,26.30334739278149,17.343559704619057,45.47528805871369,8.948081483153267,13.219357822104875,28.07908171302175,13.378555713720289,34.29537935031377,3.9452003405557194,12.155035902916659,24.085381083969335,5.735486797128206,21.003687745936006,4.788782649263227,13.12673141553594,19.195377638131617,12.146146110049624,17.28466854023518,7.287603877715802,7.577300637839343,13.26622630891347,7.842941643753872,10.55258185189386,2.4520356432618087,1.1611475103679658,14.66151653982982,0.7354600482838056,11.872196908784593,2.6552086655437535,0.569637238413369,3.5510239902094707,2.4479807235898376,8.789170679166778,0.3775374377702076,1.5230203424867634,2.466134593685509,0.46823781012057075,8.281968208966788,0.16992017640519017,0.7542137711307427,3.324796018746043,0.15906596355239,5.393270091729904,1.4819764129641693,0.7489236619207117,3.629023776208318,1.2207060454225591,4.1395481046325795,1.3975446233430788,1.1675684326609606,3.1615014224853573,0.2868452756222674,1.6935687951771827,0.39438383155346474,3.7483133466133967,14.663150135503644,2.55987179606821,14.58221151261422,5.689140437246701,2.077713086165256,7.421428419263923,3.6254454901665674,13.666914944568022,1.4217288862447643,2.7963957483342443,6.994536898072278,1.9169152035282138,12.547421234665471,0.43007539907481757,2.500081000784547,6.271606262899335,0.7249139477803642,7.775634315609848,2.0297771396031408,2.389109488080981,5.423482871681167,2.5142035357975216,6.0728796063428785,2.115517882455734,2.282981467201808,4.722832251824508,1.1706701906985375,2.6755461509762846,0.726221367384704,13.059862483480495,14.683275228507844,11.248017873203608,40.70705502025173,30.078617636650602,10.266279835103829,24.63671109398522,15.772581030944378,42.305820114416655,8.173908612245823,12.109186010913557,26.26352839959502,12.168417748324337,32.333369119950106,3.533496575020515,11.251446850616572,22.357766687412113,5.191599643952573,19.763581202069872,4.541347112654537,12.055395962282036,17.75316919489257,11.145954164725309,16.214655290605382,6.755684630890543,7.116642121279153,12.470293481883376,7.147394812989809,9.717909089792991,2.2948749636562535,5.524321586102955,14.665267882484896,3.9606753422046594,17.58754920329392,8.713928165305648,3.3060504594572278,10.30810582140662,4.986913419025854,17.79049674126608,2.3479337298801175,4.0013263368657155,10.31091226258638,3.263711059368997,15.785636508139227,0.7602299279684124,3.871159262206374,8.677784475229984,1.2833137198606992,9.64979318943546,2.4435901896297114,3.7782327686242905,7.065953896508992,3.6802502100189276,7.622702351959421,2.7521866923069225,3.1059683844613777,5.943471075793225,1.9729210923723735,3.594999107499147,0.9801978413576361,16.70872546379597,14.697241960245625,15.558259088762608,57.932133434497906,45.385356196177504,14.65347861550742,32.784980102106516,23.90852474366375,58.259045780699815,12.097772670366405,17.777329828239843,35.08232952073887,18.335777797849996,41.9793458169784,5.674593439022106,15.734106970547085,31.00046982333217,7.979182687699264,25.918213397151668,5.756013771993853,17.449445171159354,25.090730054079266,16.225623298498327,21.5476496812504,9.451598364165818,9.360415093290335,16.414550860506722,10.68275618588841,13.974918535984749,3.069347880799597,8.367834085378847,13.59043759078565,6.41363938257675,23.310333053625524,14.757999267825786,5.2221592599170075,15.213816496159648,7.975602011002426,23.756097603200168,4.060204110171726,6.138692655060417,16.15954239867056,5.541537774496701,20.372453206873438,1.4976515596525086,6.340899125082927,12.963834304143642,2.296660512994137,12.792002284885523,3.3210522108939675,6.107257638839873,10.171222240374576,5.671988231758185,10.49643271458739,4.540066835492452,4.970374819942589,8.172935480121343,3.3610024920148778,5.508534441736482,1.6803982060134064,30.061159335031725,1.9479210731630254,0.4258676838873232,0.926813856759961,0.06005624142307619,0.605617735923335,0.48065638515025916,0.538267926203656,32.434948092082074,72.18839868922069,129.56078098821826,0.8902207851399414,1.6245420472772503,27.92644303135845,1.2229807634314933,0.0891215740078859,0.9551242265684119,0.041827688347882315,0.5222341223440998,0.18231671961616744,0.02357299840364162,29.23854536879783,36.75134514843147,69.03370442846506,0.932686339852618,0.7281238403639089,28.757960974681165,1.5069380592085933,0.22047718701815677,0.9433362660933136,0.04943150605355113,0.5539360276739046,0.28163876056101783,0.1442701386546652,30.485376220907916,50.00918570236304,90.04926401976643,0.9150043991399704,0.9798449268895877,30.006636635894562,1.929565230984951,0.41728568660668963,0.9274621966577213,0.0596400999365224,0.6034065258718933,0.4712876116787947,0.5167923866536633,32.353487553486204,71.22628267505205,127.74051248262955,0.891193294986582,1.5914865242043512,29.135449377246918,1.6351671404893149,0.28002923063943097,0.9383202402085652,0.05266129257794436,0.5686551691068378,0.3338888362235684,0.23273187322407185,31.050645748375665,56.258001514826674,100.6496120943433,0.9074803603128477,1.135275878554478,30.232421610549963,2.0055276612283923,0.45281871678996233,0.924799980872948,0.0613484413070292,0.6125912636888681,0.5106667052959171,0.6085522466228792,32.69076798856832,75.22990462706355,135.37595794575222,0.887199971309422,1.7318102156076642,30.07290668982473,1.9342135764040513,0.4181178648530111,0.9274536880269758,0.05965148408732815,0.6060820025766326,0.47371902710394714,0.518855683938997,32.42523813108179,71.55017318720033,128.29625061299075,0.8911805320404637,1.5986567136195768 +UMLCN0322,L,1-octadecene,CCCCCCCCCCCCCCCCC=C,Olefins,,C18H36,NREL (2014),Unknown,PubChem,,90,0,-3.0176000000000034,9.10590976000002,61.260099999999994,55.68454799999996,0,0,54,18,36,0,18,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2633.3324819999966,2888.345225000002,3138.7060480000036,3005.875670999999,2811.151069999998,2614.3943409999974,2417.6376119999973,2220.880882999996,2024.1241539999944,8742.319031001432,11330.305519077281,15054.214869001726,15747.42410639459,14802.793250301322,13795.994905346191,12789.196560391063,11782.398215435933,10775.599870480799,377.59399199999984,384.42352400000027,725.1804160000011,1012.054812000003,962.6068400000031,899.7219400000029,836.8370400000024,773.9521400000017,711.0672400000012,66.20626457456403,87.49889515999995,127.67751396213076,142.444787560034,134.31248451033576,125.29095565093961,116.26942679154364,107.24789793214767,98.22636907275174,8939.333882492965,7667.915771194404,15801.355782665018,23906.32342857595,22797.203577585868,21318.248422547287,19839.29326750871,18360.33811247013,16881.382957431553,86.75,102.5,163.75,204.5,194.25,182.0,169.75,157.5,145.25,48.76541633333327,54.49707971698117,30.771627921568662,20.730177041379303,20.370659927536217,20.266622798449593,20.146980099999976,20.007935882882848,19.844354450980337,161.8947968703969,213.77934941655246,147.5903418529581,108.60292487168682,107.26661775580668,106.94569694066816,106.57663800325886,106.14773167059398,105.64313598510587,6.99248133333333,7.253274037735854,7.1096119215686375,6.97968835862071,6.975411884057993,6.974588682170565,6.97364200000002,6.972541801801817,6.971247450980404,1.2260419365660005,1.6509225501886782,1.2517403329620662,0.9823778452416138,0.9732788732633026,0.9712477182243381,0.9689118899295303,0.966197278667997,0.9630036183603111,165.54322004616603,144.67765606027177,154.91525277122565,164.8711960591445,165.19712737381064,165.2577397096689,165.32744389590593,165.40845146369486,165.50375448462307,1.6064814814814814,1.9339622641509433,1.6053921568627452,1.410344827586207,1.4076086956521738,1.4108527131782946,1.4145833333333333,1.4189189189189189,1.4240196078431373,0.0957290406851432,-0.007612276215576264,-0.04605268653214505,0.0016767970587893179,0.0012150833103620664,9.059851185648895E-5,2.8914494748220367E-6,3.675059205869233E-8,1.4587193302231793E-10,1452.7921080000024,-53.80711511111357,-686.0407176666697,-26.90355755555657,-5.861977570020827E-13,-4.725109192804666E-13,-3.588240815588506E-13,-2.4513724383723456E-13,-1.3145040611561853E-13,2701.528961270673,-100.05662819521574,-1275.7220094889315,-50.028314097602355,2.6645352591003757E-12,2.2097879082139116E-12,1.9824142327706795E-12,1.7550405573274475E-12,1.7550405573274475E-12,0.2845919999999993,-0.01054044444444759,-0.13439066666666946,-0.005270222222221954,4.119968255444917E-16,4.397524011601206E-16,4.397524011601206E-16,4.675079767757495E-16,4.675079767757495E-16,12.077091418188026,-0.4472996821550851,-5.70307094747764,-0.22364984107755856,-4.912736883966318E-15,-4.912736883966318E-15,-4.912736883966318E-15,-5.800915303666443E-15,-4.912736883966318E-15,65.60295226138797,-2.429738972645098,-30.979171901211906,-1.2148694863218394,1.9451107391432743E-13,1.8740564655672642E-13,1.8030021919912542E-13,1.7319479184152442E-13,1.6253665080512292E-13,7.30092592592592,-0.25368655692729936,-2.1563786008230497,-0.03026406035665606,0.041152263374483244,0.021862139917693535,0.0025720164609040613,-0.01671810699588515,-0.03600823045267418,0.0017727600126878369,-1.4362785312408045E-4,-4.514969267857358E-4,1.1564117646822881E-5,8.8049515243628E-6,7.023140453991391E-7,2.4095412290183638E-8,3.3108641494317414E-10,1.4301169904148817E-12,26.9035575555556,-1.0152285870021427,-6.725889388888919,-0.18554177624521773,-4.247809833348425E-15,-3.662875343259431E-15,-2.9902006796570883E-15,-2.2084436381732843E-15,-1.2887294717217503E-15,50.028314097605055,-1.887860909343693,-12.507078524401289,-0.3450228558455335,1.9308226515220114E-14,1.7130138823363655E-14,1.652011860642233E-14,1.5811176192139166E-14,1.7206279973798503E-14,0.005270222222222209,-1.9887631027259604E-4,-0.0013175555555555829,-3.6346360153254856E-5,2.985484243076027E-18,3.408933342326516E-18,3.664603343001005E-18,4.211783574556302E-18,4.583411537017152E-18,0.22364984107755603,-0.008439616644435568,-0.05591246026938863,-0.0015424126970866108,-3.559954263743708E-17,-3.8083231658653625E-17,-4.093947403305265E-17,-5.226049823122922E-17,-4.8164087097709E-17,1.2148694863219995,-0.04584413155934147,-0.3037173715805089,-0.008378410250495445,1.4095005356110683E-15,1.4527569500521428E-15,1.5025018266593785E-15,1.5603134400137336E-15,1.593496576520813E-15,0.13520233196159112,-0.004786538809949044,-0.021140966674735782,-2.0871765763211077E-4,2.9820480706147277E-4,1.6947395285033749E-4,2.1433470507533843E-5,-1.5061357653950585E-4,-3.530218671830802E-4,-0.08101934390223169,-0.25468587036842155,0.0065232279406446615,0.004966804001300121,3.961698370747314E-4,1.3592032828882727E-5,1.86763246335405E-7,8.067177622348081E-10,-0.03773584905660543,-0.25000000000000067,-0.00689655172413818,-1.578902650542307E-16,-1.3614836386212593E-16,-1.1114517749120543E-16,-8.208742035743296E-17,-4.7901823729465357E-17,-0.037735849056605895,-0.2500000000000005,-0.006896551724137559,3.8594597606367137E-16,3.4240887650027177E-16,3.3021537712007726E-16,3.160445535160673E-16,3.4393083764983796E-16,-0.03773584905661513,-0.25000000000000583,-0.006896551724137597,5.664816619093504E-16,6.468291465875089E-16,6.95341332581572E-16,7.991662205052877E-16,8.696808870204602E-16,-0.037735849056601496,-0.2499999999999983,-0.006896551724138009,-1.5917535405308907E-16,-1.702806113126069E-16,-1.8305165716105244E-16,-2.33671072509757E-16,-2.1535489077770875E-16,-0.03773584905662084,-0.2500000000000074,-0.006896551724137023,1.1602073732860897E-15,1.1958131852091736E-15,1.23675986892072E-15,1.284346555396301E-15,1.311660712909254E-15,-0.035402782929134874,-0.15636539967921265,-0.001543743030197173,0.002205618813928358,0.00125348394803192,1.585288522510304E-4,-0.0011139865293321482,-0.0026110634488417566,1.4790681892121795,1.348965552812891,0.8709494021467495,0.8766633565271595,0.8877355334909041,0.8962665622668209,0.9057673355318852,0.9169293772686092,1.4999999999999987,1.4505718954248354,0.9747126436781601,0.960144927536231,0.9586563307493532,0.9569444444444436,0.9549549549549541,0.9526143790849665,1.4999999999999984,1.450571895424835,0.9747126436781598,0.9601449275362308,0.958656330749353,0.9569444444444434,0.9549549549549541,0.9526143790849664,1.5000000000000013,1.4505718954248403,0.9747126436781632,0.960144927536234,0.9586563307493559,0.956944444444446,0.9549549549549563,0.9526143790849683,1.4999999999999964,1.450571895424832,0.9747126436781575,0.9601449275362284,0.9586563307493506,0.9569444444444413,0.954954954954952,0.9526143790849646,1.4999999999999987,1.4505718954248346,0.9747126436781596,0.9601449275362306,0.9586563307493527,0.9569444444444433,0.954954954954954,0.9526143790849663,1.4381737476220684,0.9874855458987661,0.7321933833336982,0.7430316230597452,0.7667340107062283,0.7939917564996835,0.8256696772866722,0.8629378193890118,221.9330622929677,110.96653114648379,176.68370385380308,221.93306229296763,12.329614571831534,110.96653114648379,-9.947598300641403E-14,0.017960487533669633,9.978048629816464E-4,-7.235245927708657,141.4322805891096,7.8573489216172,8.91327783621071,221.9330622929677,110.96653114648379,176.68370385380308,221.93306229296763,12.329614571831534,110.96653114648379,-9.947598300641403E-14,0.017960487533669633,9.978048629816464E-4,-7.235245927708657,141.4322805891096,7.8573489216172,8.91327783621071,221.9330622929677,110.96653114648379,176.68370385380308,221.93306229296763,12.329614571831534,110.96653114648379,-9.947598300641403E-14,0.017960487533669633,9.978048629816464E-4,-7.235245927708657,141.4322805891096,7.8573489216172,8.91327783621071,221.9330622929677,110.96653114648379,176.68370385380308,221.93306229296763,12.329614571831534,110.96653114648379,-9.947598300641403E-14,0.017960487533669633,9.978048629816464E-4,-7.235245927708657,141.4322805891096,7.8573489216172,8.91327783621071,221.9330622929677,110.96653114648379,176.68370385380308,221.93306229296763,12.329614571831534,110.96653114648379,-9.947598300641403E-14,0.017960487533669633,9.978048629816464E-4,-7.235245927708657,141.4322805891096,7.8573489216172,8.91327783621071,221.9330622929677,110.96653114648379,176.68370385380308,221.93306229296763,12.329614571831534,110.96653114648379,-9.947598300641403E-14,0.017960487533669633,9.978048629816464E-4,-7.235245927708657,141.4322805891096,7.8573489216172,8.91327783621071,260.0299156045909,129.63431758691445,207.68125823017516,259.5834135469777,14.421300752609866,129.63431758691445,-0.5740740740742183,0.036153151772632675,0.0020085084318129266,-5.975984066783213,141.29447385568804,7.849692991982669,8.91152312332342,0,11.790000000000001,12.210163964695276,-0.30694804982816914,0.1134220553416114,5.124099042923728,7.631528367623157,17.0,53.0,52.0,52.0,16.0,1.0,1.0,0.0,0.0,1.0,39.35545199999999,3.5536772921137287,3.4944091857747255,3.3946359734915306,3.2556737537618647,3.0814338487856534,2.8780822173386627,2.6535909492335596,2.417302224222692,1.9558750443822766,1.9068208091087209,1.8281804811683156,1.7244057922398481,1.601124015358419,1.4645061546534432,1.3209196674660688,1.1769940845162903,3.5811915020494216,3.522375015196602,3.4239419469624375,3.2874710626434975,3.1169462609732825,2.9185524725817205,2.700282865559807,2.4714947947713086,1.8976986186329052,1.8468221473528657,1.7650255950471363,1.6565417825371629,1.5267614790742503,1.381846714187498,1.2285564469756993,1.0741763021825783,3.7014384281838697,3.645116790198963,3.552793222600104,3.427249579365222,3.2729423845317362,3.0960873662527524,2.9045053917519663,2.7072075170783374,1.7253029173794707,1.6695654364605796,1.578494930559236,1.4550988020494775,1.3039466706042,1.1312502643832436,0.9447440302730153,0.7532929523784373,3.601421261745832,3.54296693990876,3.4455342025519364,3.310902317084446,3.1431186616982756,2.9483796393447452,2.7346805307280753,2.511368115961063,1.860547774679562,1.8085459295233883,1.7247321789697723,1.6131461159532814,1.4790121855094507,1.3284979915567852,1.1686068905419702,1.0070218493695273,3.7595782825657205,3.7047236337875735,3.6154707336763217,3.495132013180524,3.3484440806381,3.1816089582866365,3.002210442680746,2.8188655695293394,1.6710829865877013,1.6140577548935098,1.5201574765787043,1.3918655116386385,1.2335009674373927,1.0512803076776265,0.853110203530938,0.6481525776829412,3.747537978907945,3.561150863349491,3.4852341283615673,3.3638721226102795,3.2035199281799738,3.012633272506831,2.801381392511879,2.581007736504641,1.863265831674066,1.7966283113193742,1.6905098562612593,1.552050642571495,1.390604646845559,1.2169092322283261,1.0417799580536353,0.8741602731305094,0,0,1,1,0,1,15,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.313708498984765,8.914213562373096,5.9497474683058345,3.9571067811865475,2.6213203435596433,1.7285533905932737,1.1338834764831844,0.7392766952966369,0.7396504721658202,0.5243655036690056,0.37185921676911465,0.26380711874576984,0.18723716739711738,0.13296564543025183,0.09449028970693203,0.06720697229969426,12.891058768174391,8.523603362114274,5.673544346902187,3.7618016810571366,2.4832187828578194,1.6309008405285685,1.0648326961322725,0.6904504202642842,0.7161699315652439,0.5013884330655456,0.35459652168138667,0.25078677873714245,0.17737277020412995,0.12545391080988988,0.0887360580110227,0.06276822002402584,27.752900468145683,51.98106336489446,49.05882352941171,49.680000000000035,32.373980838323405,414.5085916167665,0.5139426012619571,0.9626122845350826,0.9084967320261428,0.9200000000000007,0.5995181636726556,7.676085029940121,6.969990000000007,84.85600000000008,112.16210460466854,177.9851524265985,224.32420920933714,12.462456067185396,112.16210460466854,1.4432899320127035E-15,8.018277400070575E-17,-61.509332181988015,141.4961896525919,7.8608994251439945,8.914091019246877,434,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,16.0,1.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,15.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.801969798061746,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3647767097973674,0.3030483147356391,0.0,0.0,3.4321749754669937,0.2902777777777778,0.0,0.6678250245330065,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2890868469694072,3.7597965313392523,21.408943354968848,0.0,2.0421732667224934,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0421732667224934,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3647767097973674,0.3030483147356391,0.0,0.0,0.2016366568413858,0.2902777777777778,0.0,0.3030483147356391,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2890868469694072,3.7597965313392523,1.2063802083333335,0.0,2.0421732667224934,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7597965313392523,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3647767097973674,0.3030483147356391,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.3647767097973674,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2890868469694072,3.7597965313392523,1.4752470202957215,0.0,2.0421732667224934,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,29.5,1.6388888888888888,0.3647767097973674,3.7597965313392523,0.2016366568413858,1.2063802083333335,13.075420026633948,0.29361979166666663,0.7597965313392521,2.182113290062305,0.29361979166666663,0.7597965313392521,2.182113290062305,9.0,0.5,0.0,0.0,0.43333,0.7,0.42857,0.42857,0.7,0.00476,0.00476,-0.0,0.0,0.71429,0.0,0.0,0.11111,0.0,0.0,9.5,0.52778,8.5,0.47222,1.0,0.05556,-7.5,-0.41667,0.0,0.0,22.23204,1.23511,23.88573,1.65369,0.09187,8.34933,0.46385,8.91421,0.56488,0.03138,-2.1E-4,-1.0E-5,-2.1E-4,-1.0E-5,0.0,17.0,0,0,0,0,0,0,0.8888888888888888,0.9182958340544896,1.5970567179079336,2.303399070155501,2.777699428635537,3.0945570790778967,3.2050618637984503,49.58797503894244,86.24106276702841,124.38354978839706,149.995769146319,167.10608227020643,173.0733406451163,0.15956799046189332,0.27751310817240865,0.4002509291953267,0.482667893610657,0.5377267718812125,0.5569286736871142,4.83659166810898,4.157830784255536,3.451488432007968,2.977188073527932,2.6603304230855724,2.549825638365019,0.15956799046189332,0.27751310817240865,0.4002509291953267,0.482667893610657,0.5377267718812125,0.5569286736871142,6.732876570223358,11.845509027635217,14.650658898423844,16.155702466120747,16.95636000514173,17.15900139291252,71.09775004326937,59.993930243408556,53.81814827147209,49.08958209053675,46.39495782638648,45.98908897380115,18.0,17.0,17.066666666666666,18,2,18,3.44,2.6018,0.058823529411764705,4.705559331331742,0.0,0.0,27.408212328519852,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.10799999999999998,0.1,0.16700000000000004,0.167,8.649000000000001,16.0,15.0,14.0,13.0,12.0,11.0,10.0,9.0,8.0,143.0,2.9444389791664403,2.8903717578961645,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,5.0369526024136295,1.06993006993007,0.47058823529411764,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,0.8823529411764706,16.0,0.9411764705882353,2,9.0,17.0,0.8888888888888888,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.029411764705882353,0.013888888888888895,0.008333333333333333,0.005714285714285715,0.004273504273504273,0.0034013605442176874,0.002840909090909091,0.002469135802469135,0.0022222222222222227,0.002066115702479339,0.08890544667796645,112.16210460466854,177.9851524265985,224.32420920933714,12.462456067185396,112.16210460466854,1.4432899320127035E-15,8.018277400070575E-17,-61.509332181988015,141.4961896525919,7.8608994251439945,8.914091019246877,0.0,317.2477232656013,5.169925001442312,4.204692619390966,4.859812404361672,5.5254529391317835,6.192362489474872,6.863803391452954,7.5352967024440884,8.209308411646937,8.883085524404578,9.558529412264617,96.83234389457246,3.5553480614894135,0.0,4.59511985013459,0.0,5.75890177387728,0.0,6.980075940561763,0.0,8.233503140233994,8.576405051048084,252.28170115199998,4.671883354666666,34.8284297427405,1.9349127634855832,0.0,0.0,0.0,969.0,15.0,10.216000000000001,66.0,1.2398301886792453,2.1502656277384418,2.8758497881270793,3.619869012652485,4.956509773333687,5.980516595732171,7.301508437386227,8.414329008429865,9.719559220486754,10.87210303331217,79.04206245235846,73.7764559206505,73.04019132471463,95.87863509087994,120.24515856208767,144.0562056884706,167.8361400612318,190.80961314867776,213.3112063308761,234.62576838015698,291.8608820106726,338.6461558748709,346.0489005277998,460.9916473107632,588.1671968637714,713.5615505085378,840.925797175063,965.5711973877092,1089.6648597378037,1209.9088928498331,9.029546312981136,15.334004082623618,20.130353422453677,25.453018109762894,34.70754884886871,41.91438873946144,51.074607610605156,58.866718998551676,67.9180674168792,75.96112810049911,2.192331489017358,2.8201446130229986,3.0169341794535747,3.995708206744118,5.173288595642162,6.286560181821683,7.4683267972528204,8.597046224772036,9.757346404714234,10.86694280891243,177.08970000147022,329.7950683329394,470.26130047768066,582.8351029595065,809.0899488519985,973.2291784371461,1195.6747881812596,1377.1096312572367,1596.8056606953098,1786.7781293806138,2.4646698113207544,3.5326083625978257,4.168948349417028,5.4311625046901835,7.237595047089405,8.816430576360263,10.655924744212628,12.351877076704314,14.22619030930643,16.012607377467074,0.45381353773584887,0.5950137794023997,0.6433035772565803,0.8503768413581463,1.1044060846292378,1.3420987860157654,1.5969780171593446,1.8389323777441797,2.089440199234062,2.328126494260383,754.4945782634732,781.819004326183,22.45395434799542,234.22955606940877,-242.71230514528742,-16.401731970140457,520.2650221940644,1024.5313094714704,38.85568631813588,0.7630991821318798,0.7907352285414744,0.02271002959095935,0.23690081786812003,-0.24548030812361196,-0.016588784880028372,745.9869987524055,773.0033182574011,22.200766575071825,231.58841505990148,-239.97551379671265,-16.21678824373708,0.054650628474061394,0.09904354246550033,1.1279819236865027,4.307748825431669,988.7241343328822,0.0,1.0,0.0,1076.0366382177801,32.80299739685049,10.247289827095912,1425.4068740429518,37.754560970072895,11.254156486303529,1826.4212028143993,42.736649410247395,12.223633313821304,4.608186973065209,4.608186973065209,10628.598091161126,10574.132288429222,107.77514751361196,1.0051508531618716,98.61826530850945,98.11290016646662,7.563397309832199,11.837186512466078,22.59906970865249,0.9091588769723926,10.285406599412322,15.297087138149779,6.386833043394187,72.62030723727979,30.13504831420291,1.0275429671501033,13.564160337893608,9.780354620832805,56.242246399188886,0.9235730347361055,2.068307471900009,52.34486460369129,4.243754898013665,63.48052718592315,1.3538976441112711,2.5529736183601863,28.50615219491969,3.7358890937951696,57.866568410402465,2.143556436266719,2.698762289410932,18.738262663568126,4.4982385964172575,45.42835604126428,2.8977119258605537,2.5239294528618994,10.680730194902598,4.413696651651059,29.635840240233204,3.6258196155115234,0.8631936110110554,15.296394372923404,0.44966766036905603,16.081133129842083,0.21702890115659884,0.08497496437040256,1.8842913347824763,0.247904635368949,14.675034029441274,0.025040161578131645,0.0672628334504099,3.559611960266383,0.13975216507878044,13.04693880574704,0.05719676159499261,0.113428358929334,0.9773519094071419,0.11234242706442264,10.209102272066792,0.09314073521225727,0.2066901637306038,0.2870094179332945,0.11497863574279653,7.092866633801997,0.1259103035841383,0.29900497931990433,0.10987405207344934,0.11947584354696311,4.2869844923085205,0.1533945705832049,2.786468156396626,15.296442010162162,1.5084705957072273,20.014554310693228,2.2240363895796635,0.2676896359261124,4.259263058318267,1.1777617386064572,20.043780720878612,0.11540596297023682,0.2527706944124717,11.897534082252344,0.5937269990744873,20.91983722432065,0.22181913848326706,0.33927308801826367,4.059675911234376,0.49522139393292985,17.736732474691145,0.3578337391116025,0.4891295727258818,1.7670334133783347,0.5441515454747408,12.931423623338304,0.4837293708459334,0.5828214399668775,0.8713278370418585,0.5510301690204403,8.025470834186418,0.5946056159956881,9.708585471857562,15.29701155451615,5.969202644640647,66.46776291275911,26.85308046747275,0.9664139092767464,12.845894212025456,8.837386316473184,52.59519119796634,0.8356496414591259,1.8669333322308945,48.78509754763909,3.856756426314025,59.536311648207075,1.239115953326794,2.3073599059722527,25.92339075789159,3.3878468219820683,54.17062819511225,1.9636077643912258,2.466161206410254,16.7998835137941,4.06520455362046,42.3787150383349,2.6544531819244304,2.327461208519898,9.539631172216172,3.9933856263700123,27.57607870779792,3.318577556182191,4.106735837560175,15.296502554158325,2.2807639081413904,24.97352797190983,4.819128727216702,0.39599277711738734,5.892320115141923,2.1177269186315906,24.65446415492294,0.2050659168010511,0.44631390474548854,18.10232358468575,1.019306726725903,27.043379773379,0.36453769408389153,0.5751060203305512,6.928850169456529,0.8639864654802348,23.557521711360923,0.5852156332506168,0.7501923867416759,3.461864424479163,0.9769949131666807,17.529252931268925,0.7911099781916003,0.828229438121411,1.808627409175615,0.9794047411690343,11.018130045997438,0.9769346733132815,12.421115604763475,15.29740465582321,7.994626621402384,98.45612933328498,43.93352753258915,1.2577660019262176,16.22724723892806,13.679811875975007,70.99727481378277,1.2864872662176174,2.903458073661951,66.17586992383976,5.83077493516499,79.0569089198702,1.8190750239456202,3.571674024087078,39.087962806882466,5.167836470319368,72.43476836830155,2.8716193873318554,3.65085678500565,26.83354738732849,6.288566424552252,57.51774635867494,3.8819239474503746,3.319783592029043,15.466559364418663,6.1486599442169245,37.83891822048744,4.870881041071834,6.369599644875385,13.455682157844429,3.74364907457419,35.827745425063526,11.241380285230736,0.5655365305127669,9.097471684123576,4.074765211558768,32.500509255439525,0.388733558287288,0.8699011019871521,27.793709641052278,1.845995778768009,37.460431630854046,0.6194696640521719,1.1003817228475155,12.625655865032769,1.5992062699549625,33.97090732833549,0.9870313087665287,1.2890395585338574,7.377715297551423,1.8764162849507782,26.350239340154786,1.3342939507116676,1.3358514260564018,4.066139355129429,1.8572714436223865,17.30486300079204,1.6595054651475742,42.61792582208355,0.8286262924777734,0.48977255833333344,0.9699929645771109,0.018859708877492255,0.5433580487170772,0.6834494633810657,0.5925871757620673,43.936324672894656,56.59326284695705,117.82557916375222,0.9549894468656663,1.8193946878602103,41.89099880352465,0.32145914029282885,0.10558724006558799,0.9899086458624733,0.007596266294815936,0.5250018910177093,0.10296164321816235,0.027541413668152614,42.31804518388307,17.923341392061353,61.663250162671,0.98486296879371,0.6555049479040244,42.179636428255364,0.5229636629233365,0.25817317827392794,0.9818174399166903,0.01217305050920001,0.5322509530546493,0.2724865757535334,0.16465904592572925,42.96077326945263,33.08308315339515,81.73874809062052,0.9727261598750356,0.9693965747339119,42.599921698313196,0.8160777216810171,0.48026121230769186,0.9704681238147477,0.018591053313559258,0.5428994224700385,0.6629456239921021,0.5697946639808922,43.8962606323019,55.61586755834563,116.20833577737787,0.9557021857221216,1.7756397104430328,42.30832566815041,0.6127509520708845,0.32618701128127303,0.9782890780939906,0.014168548495737402,0.5354997271592472,0.3740209576736267,0.2628431596554565,43.24726363150256,39.924764537408706,91.6282525244512,0.9674336171409859,1.1723638444883304,42.6742943615455,0.8679100824979393,0.5195500433229833,0.9685110104678483,0.019697583371238434,0.5447952594834962,0.749639656618261,0.6668345954199567,44.06175448736642,59.65980454515127,122.96436796117015,0.9527665157017724,1.961269511521714,42.854800912580146,0.8173731529414905,0.4815500993248176,0.9705817962847975,0.018511986664813483,0.5494150423730361,0.6650256170104832,0.5728571074576572,44.15372416484646,56.058703499578165,117.08033970289422,0.9558726944271964,1.7872977668411765 +UMLCN0323,L,9-methyl-9-heptadecene,CCCCCCCCC(C)=CCCCCCCC,Olefins,,C18H36,NREL (2014),Unknown,UML,,66,0,-1.8331999999999988,3.3606222399999957,67.7428,55.68454799999996,0,0,54,18,36,0,18,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2633.3324819999966,2888.3452250000023,3237.590009000003,3154.1183680000004,2976.5811749999993,2782.872637999999,2586.1159089999987,2389.3591799999986,2192.602450999996,8742.319031001432,11330.305519077283,15112.036538561772,16037.007669066994,15362.5321514989,14448.985039836562,13442.186694881431,12435.388349926301,11428.590004971169,377.59399199999984,384.4235240000003,724.4057960000011,972.9652480000026,964.2272280000029,921.497720000003,858.6128200000026,795.7279200000021,732.8430200000014,66.20626457456403,87.49889515999995,127.34607543667775,142.79032863124203,137.99463441578888,130.30694427093965,121.28541541154362,112.26388655214767,103.24235769275171,8939.333882492965,7667.9157711944035,15870.412903976166,22706.899116184868,22675.490073028916,21751.28787406308,20272.3327190245,18793.377563985923,17314.422408947346,84.02777777777777,101.91666666666667,164.75000000000003,204.16666666666669,199.41666666666669,190.16666666666669,177.91666666666669,165.91666666666666,152.83333333333331,48.76541633333327,54.497079716981176,31.741078519607875,22.691499050359713,21.569428804347822,21.082368469696963,21.025332593495925,20.959291052631567,20.88192810476187,161.8947968703969,213.77934941655252,148.15722096629187,115.3741558925683,111.32269674999202,109.46200787754971,109.28607069009294,109.08235394672194,108.84371433305876,6.99248133333333,7.2532740377358556,7.102017607843148,6.99974998561153,6.987153826086978,6.981043333333356,6.980592032520346,6.980069473684229,6.979457333333347,1.2260419365660005,1.6509225501886782,1.2484909356537035,1.0272685513038995,0.9999611189549918,0.9871738202343913,0.9860602878987287,0.984770934667962,0.9832605494547781,165.54322004616603,144.67765606027177,155.59228337231536,163.35898644737316,164.31514545673127,164.78248389441728,164.81571316280082,164.85418915777126,164.8992610375938,1.5560699588477365,1.9229559748427674,1.6151960784313728,1.4688249400479618,1.445048309178744,1.4406565656565657,1.4464769647696478,1.455409356725146,1.4555555555555553,0.08458366752703173,-0.0013650596378291255,-0.033799708899191094,-0.013342426658700245,0.0021310259014207336,0.001057643101672015,7.67130263939356E-5,0.0017481315528740248,8.398409032955612E-4,1452.7921080000024,-53.807115111113575,-484.2640360000022,-107.61423022222348,-40.355336333334165,-5.861977570020827E-13,-5.861977570020827E-13,-4.725109192804666E-13,-2.4513724383723456E-13,2701.528961270673,-100.05662819521578,-900.5096537568936,-200.1132563904185,-75.04247114640566,1.7550405573274475E-12,1.5276668818842154E-12,1.3002932064409833E-12,1.3002932064409833E-12,0.2845919999999993,-0.010540444444447579,-0.0948640000000025,-0.021080888888889218,-0.007905333333333263,2.454633718507182E-16,2.732189474663471E-16,2.732189474663471E-16,3.0097452308197603E-16,12.077091418188026,-0.44729968215508475,-4.025697139395976,-0.8945993643102202,-0.33547476161633494,-3.1363800445660672E-15,-4.0245584642661925E-15,-3.1363800445660672E-15,-3.1363800445660672E-15,65.60295226138797,-2.429738972645101,-21.867650753796845,-4.859477945288061,-1.822304229482931,1.234568003383174E-13,1.163513729807164E-13,1.056932319443149E-13,9.85878045867139E-14,5.385288065843625,-0.7089144185337561,-0.8707704618198404,-0.6934061118731885,-0.262402834933696,-0.14860539551897248,-0.16309442158207235,0.0724165523548268,-0.17201074531321175,0.0015663642134635504,-2.5755842223191047E-5,-3.3136969509010877E-4,-9.598868099784349E-5,1.5442216676961836E-5,8.012447739939507E-6,6.236831414141106E-7,1.53344873059125E-5,7.998484793291059E-6,26.9035575555556,-1.015228587002143,-4.747686627451002,-0.77420309512391,-0.2924299734299577,-4.440892098500626E-15,-4.76583542278116E-15,-4.144832625267251E-15,-2.334640417497472E-15,50.028314097605055,-1.887860909343694,-8.828526017224448,-1.4396637150389822,-0.5437860228000411,1.3295761797935207E-14,1.2420055950278174E-14,1.140608075825424E-14,1.238374482324746E-14,0.005270222222222209,-1.9887631027259582E-4,-9.30039215686299E-4,-1.516610711430879E-4,-5.7285024154588856E-5,1.8595709988690774E-18,2.2212922558239604E-18,2.3966574339153255E-18,2.8664240293521525E-18,0.22364984107755603,-0.008439616644435561,-0.039467619013686034,-0.006435966649713814,-0.0024309765334517026,-2.3760454883076267E-17,-3.271998751435929E-17,-2.7512105654088308E-17,-2.987028613872445E-17,1.2148694863219995,-0.04584413155934153,-0.21438873288036123,-0.034960272987683894,-0.013205103112195152,9.352787904417985E-16,9.459461217944422E-16,9.271336135466219E-16,9.389314722544181E-16,0.09972755677488195,-0.013375743745919927,-0.00853696531195922,-0.0049885331789438015,-0.0019014698183601158,-0.0011257984509013066,-0.00132597090717132,6.352329153932176E-4,-0.0016381975744115406,-0.016443073712875265,-0.21155341282815882,-0.061281201506508474,0.00985863731067754,0.005115315883157438,3.9817249146354035E-4,0.009789860604644958,0.005106401643079408,-0.03773584905660544,-0.17647058823529463,-0.028776978417266477,-0.010869565217391509,-1.6506709528396847E-16,-1.7714517542669788E-16,-1.5406262226503724E-16,-8.677813009214342E-17,-0.037735849056605916,-0.17647058823529466,-0.028776978417265942,-0.010869565217391026,2.657647381839657E-16,2.482605335459974E-16,2.279925071230867E-16,2.475347220193513E-16,-0.03773584905661509,-0.1764705882352992,-0.02877697841726671,-0.010869565217391233,3.528448935280346E-16,4.214798090406412E-16,4.547545308070076E-16,5.438905436028301E-16,-0.03773584905660147,-0.17647058823529266,-0.02877697841726606,-0.010869565217391334,-1.0623953394555174E-16,-1.4630007048837042E-16,-1.2301419720011254E-16,-1.3355827124583648E-16,-0.03773584905662089,-0.176470588235301,-0.02877697841726656,-0.010869565217390896,7.698594795341696E-16,7.786401193253121E-16,7.631549100418235E-16,7.728661249835322E-16,-0.13412284606664335,-0.0856028723458048,-0.05002161228319841,-0.019066643963336648,-0.01128873991611572,-0.013295932940225082,0.006369682923518805,-0.016426729255079354,1.4423458236719737,1.4033563367588338,1.0818516915775958,0.9787652817190897,0.9724920979829896,0.9833062365067535,0.9843584533457199,1.0115620815633424,1.4999999999999987,1.363970588235293,1.0326738609112702,0.9921497584541055,0.970328282828282,0.9695121951219503,0.9685672514619874,0.9674603174603166,1.4999999999999984,1.3639705882352926,1.0326738609112698,0.9921497584541051,0.9703282828282818,0.9695121951219501,0.9685672514619873,0.9674603174603165,1.5000000000000013,1.3639705882352973,1.0326738609112736,0.9921497584541086,0.9703282828282849,0.9695121951219531,0.9685672514619899,0.9674603174603187,1.4999999999999964,1.3639705882352893,1.0326738609112673,0.9921497584541026,0.9703282828282794,0.969512195121948,0.9685672514619852,0.9674603174603145,1.4999999999999987,1.3639705882352922,1.0326738609112696,0.9921497584541049,0.9703282828282815,0.96951219512195,0.9685672514619873,0.9674603174603165,1.624797019772661,1.0961943665612195,1.0295947404842383,0.9568249116439005,0.9630380604208089,0.9934976434490674,1.0071841175198952,1.0427438833017202,201.53470812429862,100.7673540621493,156.1453866376674,201.5347081242986,11.196372673572146,100.7673540621493,-2.8421709430404007E-14,0.020770658812669818,0.0011539254895927677,-6.973585059891478,197.52240024400868,10.973466680222705,9.51453359436013,201.53470812429862,100.7673540621493,156.1453866376674,201.5347081242986,11.196372673572146,100.7673540621493,-2.8421709430404007E-14,0.020770658812669818,0.0011539254895927677,-6.973585059891478,197.52240024400868,10.973466680222705,9.51453359436013,201.53470812429862,100.7673540621493,156.1453866376674,201.5347081242986,11.196372673572146,100.7673540621493,-2.8421709430404007E-14,0.020770658812669818,0.0011539254895927677,-6.973585059891478,197.52240024400868,10.973466680222705,9.51453359436013,201.53470812429862,100.7673540621493,156.1453866376674,201.5347081242986,11.196372673572146,100.7673540621493,-2.8421709430404007E-14,0.020770658812669818,0.0011539254895927677,-6.973585059891478,197.52240024400868,10.973466680222705,9.51453359436013,201.53470812429862,100.7673540621493,156.1453866376674,201.5347081242986,11.196372673572146,100.7673540621493,-2.8421709430404007E-14,0.020770658812669818,0.0011539254895927677,-6.973585059891478,197.52240024400868,10.973466680222705,9.51453359436013,201.53470812429862,100.7673540621493,156.1453866376674,201.5347081242986,11.196372673572146,100.7673540621493,-2.8421709430404007E-14,0.020770658812669818,0.0011539254895927677,-6.973585059891478,197.52240024400868,10.973466680222705,9.51453359436013,221.17730914800788,110.4605681542508,171.17218403727784,220.9495999573356,12.274977775407534,110.4605681542508,-0.25617283950629144,0.04857634655642451,0.0026986859198013615,-5.444313413257216,168.92430648964773,9.384683693869318,9.233011303193377,0,11.890000000000002,12.110335656157309,-0.170693355222814,0.049872175518613004,5.125006735511604,8.923364999380517,17.0,53.0,52.0,52.0,16.0,1.0,1.0,0.0,0.0,1.0,39.35545199999999,3.6232810842888403,3.4764876790610617,3.4066939487727903,3.20107316517032,3.0689627553981085,2.790655041767097,2.6570546403959434,2.3337847978248556,1.9583053227621112,1.9033572835492492,1.8297945453619249,1.7078447927614664,1.605663356117348,1.4272817968492544,1.3636677257260406,1.1656143481688506,3.643943406630577,3.50576138235672,3.4355804315730096,3.235880032466515,3.105747801390194,2.835134182222398,2.7070411797239498,2.3955340051676797,1.9057558210652397,1.841814031296113,1.7684037023804398,1.635488668737456,1.52912018551908,1.3387341286915253,1.267027406202749,1.0573115582320753,3.7382442913367244,3.633624356743987,3.5618862530375,3.3883176897031295,3.2671907862460086,3.029500376466879,2.924858112222006,2.6603312415103355,1.7577352337149692,1.6589788727511368,1.5869666113073064,1.4185483648675066,1.299240414219526,1.0678110246659054,0.9675929487990141,0.7112039343648388,3.6593509607039905,3.5272820209291194,3.456822607706412,3.2615037131577416,3.1328521951762065,2.8678830905644332,2.7438266433806424,2.4408080704449477,1.872840983693844,1.8024686729808943,1.7292522501616352,1.5890249195438333,1.4799247940154023,1.2813735511858262,1.2040823249128418,0.9859601056930295,3.786170536678465,3.6953777862537263,3.6229990763633317,3.4619092549998616,3.3452126527761656,3.1225551468764405,3.028508910611479,2.7830569206724562,1.7138214824483635,1.6013615810496877,1.529991540887803,1.3498339700998145,1.2263997985867052,0.9805852151143551,0.8701819273738719,0.5946897991754214,3.7191929371831245,3.5256517750169154,3.4858112482618275,3.300238475835429,3.1999490222523357,2.934676970904472,2.850296099092581,2.5596018584293434,1.837639702719294,1.7832374932254587,1.6689704115499788,1.529339832470804,1.385234920334938,1.1835085646571302,1.072384531133488,0.8534469886531859,0,0,0,1,1,3,13,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.2886751345948129,0.3061862178478973,0.2886751345948129,13.476845205801295,8.808060412490446,6.218055890644904,4.1009536313038994,2.6905962987307173,1.7546009608838813,1.1360823260694912,0.7293625530579064,0.7487136225445163,0.5181212007347321,0.3657679935673473,0.2563096019564937,0.1793730865820478,0.12532864006313438,0.08739094815919163,0.060780212754825536,13.269738424614747,8.464690378025045,5.771132465586228,3.7251444688392676,2.3825835968384976,1.5069098017170401,0.9398004804419406,0.5708730841996251,0.7372076902563749,0.49792296341323794,0.33947838032860167,0.23282152930245423,0.15883890645589985,0.10763641440836001,0.07229234464938004,0.04757275701663543,27.752900468145683,51.98106336489446,49.05882352941171,49.680000000000035,32.373980838323405,414.5085916167665,0.5139426012619571,0.9626122845350826,0.9084967320261428,0.9200000000000007,0.5995181636726556,7.676085029940121,6.969990000000007,84.85600000000008,105.05898820987329,163.78958399861722,210.11797641974658,11.673220912208144,105.05898820987329,6.661338147750939E-16,3.700743415417188E-17,-62.901073980808285,3000072.8883283115,166670.71601823953,26.845464856404014,401,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,15.0,3.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,13.0,0.0,1.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.110025956370203,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2154247763920383,0.0,0.0,3.4141813114134547,0.8708333333333333,0.0,0.2154247763920383,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.884964316051857,0.0,18.171676394244606,0.0,2.484115724993701,0.0,0.0,0.0,0.0,1.6259102313765015,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6259102313765015,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2154247763920383,0.0,0.0,0.20558641975308642,0.2902777777777778,0.0,0.2154247763920383,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2823031535537694,0.0,1.3108951684438697,0.0,2.484115724993701,0.0,0.0,0.0,0.0,1.6259102313765015,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.484115724993701,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2154247763920383,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.2154247763920383,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3175455089443187,0.0,1.4425969756738988,0.0,2.484115724993701,0.0,0.0,0.0,0.0,1.6259102313765015,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,29.166666666666664,1.6203703703703702,0.2902777777777778,2.484115724993701,-0.01988386558327032,1.3108951684438697,12.199351666934453,0.18910483155613028,0.4841157249937012,2.7381600820911167,0.18910483155613028,0.4841157249937012,2.7381600820911167,9.0,0.5,0.0,0.0,0.43333,0.7,0.42857,0.42857,0.7,0.00476,0.00476,-0.0,0.0,0.71429,0.0,0.0,0.16667,0.05556,0.0,9.5,0.52778,8.5,0.47222,1.0,0.05556,-7.5,-0.41667,0.0,0.0,23.36365,1.29798,24.86264,1.49899,0.08328,8.25482,0.4586,8.80805,0.55324,0.03074,0.10595,0.00589,0.10595,0.00589,0.0,17.0,0,0,0,0,0,0,0.8888888888888888,0.9182958340544896,1.6515791059026517,2.9396348619613537,3.711877892580871,3.995744567724748,3.909193115396679,49.58797503894244,89.1852717187432,158.7402825459131,200.44140619936704,215.77020665713638,211.09642823142067,0.15956799046189332,0.28698720961648055,0.5108066597055527,0.6449957347012331,0.6943219248373845,0.6792822820475766,4.83659166810898,4.103308396260817,2.8152526402021154,2.0430096095825983,1.7591429344387213,1.84569438676679,0.15956799046189332,0.28698720961648055,0.5108066597055527,0.6449957347012331,0.6943219248373845,0.6792822820475766,6.732876570223358,14.19033595555415,18.827295763586363,21.41656218209142,21.54898613221986,20.88064733494014,71.09775004326937,51.304517194029955,41.223212296299025,32.46108192286381,32.241600072070284,33.120387910449665,18.0,15.058823529411764,15.0,18,2,17,3.44,2.601799999999999,0.2751606040745523,7.412537482016503,0.75,0.0,21.276040235007784,4.141993257674248,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.103,0.076,0.20300000000000004,0.184,8.673000000000002,17.0,16.0,15.0,14.0,13.0,12.0,11.0,10.0,7.0,150.0,2.9444389791664403,3.044522437723423,3.044522437723423,3.044522437723423,3.044522437723423,3.044522437723423,3.044522437723423,3.044522437723423,2.995732273553991,2.70805020110221,5.3471075307174685,1.3933333333333333,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,0.7647058823529411,16.0,0.9411764705882353,2,8.0,16.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407406,0.020000000000000004,0.01652892561983471,0.08823529411764706,0.039215686274509824,0.0234375,0.016000000000000007,0.011904761904761908,0.009419152276295133,0.0078125,0.006734006734006732,0.0020000000000000005,0.0023612750885478157,0.221222088487035,105.05898820987329,163.78958399861722,210.11797641974658,11.673220912208144,105.05898820987329,6.661338147750939E-16,3.700743415417188E-17,-62.901073980808285,3000072.8883283115,166670.71601823953,26.845464856404014,0.0,317.2477232656013,5.169925001442312,4.23410650459726,4.90527477843843,5.602118820879701,6.289715570908998,6.994849985833071,7.690286020676768,8.400434630806041,9.100860271357362,9.814492390964565,98.0321389744622,3.5553480614894135,0.0,4.634728988229636,0.0,5.849324779946859,0.0,7.1284959456800365,0.0,8.445697189711167,8.764209507142004,252.28170115199998,4.671883354666666,34.64845767333276,1.924914315185153,0.0,0.0,0.0,905.0,16.0,9.559000000000003,68.0,1.2275153585374763,2.128056454738745,2.8955969338563867,3.6393526325527614,4.8021376944853555,5.899949342270134,7.096074529268401,8.266174158128294,9.474168598966871,10.66873487752101,78.70744028663299,76.58604314828474,78.73297806957333,99.82214414138853,122.62346977757004,147.64398821065816,172.5595689111371,197.29847230973922,222.77920658011195,211.06438384116882,290.01444638246835,340.8855765703304,367.6542147606046,471.47701820126485,590.5523237840783,718.0242820876872,847.5809583356549,976.4533691285087,1113.9163229086182,1175.546436924155,8.941300228480966,15.170629014842893,20.32991088656678,25.600958897579616,33.68645575617689,41.37472139596121,49.71974451590436,57.892431540487024,66.35830303918306,74.68715595278806,2.1762664726844885,2.8124319414309684,3.1684265868490775,4.060628017789245,5.148322910826127,6.282555127817502,7.453394224539505,8.615110512459413,9.855382563417432,10.723180421287893,175.2409820263768,327.01344052414817,468.81814043423503,585.2913939757094,779.3930106855247,958.4232014920157,1155.9265444274588,1348.4034712183136,1544.7914908891541,1740.232250903703,2.4363578279366753,3.5451202035876666,4.3753466311307045,5.550953558802007,7.2077255813586385,8.866326973137674,10.674706019064683,12.391116385274689,14.180053321838288,15.926165784784894,0.45040524472789173,0.5925915830894709,0.6739810329775106,0.8633102071157792,1.097197528396661,1.339727368886022,1.5908815399849279,1.8399147968763094,2.1055895149727486,2.301091501779493,674.987936784586,664.5583677750562,18.00338571534108,126.4864761695975,-124.5320717127308,-8.018909568580101,548.5014606149886,789.0904394877871,26.02229528392118,0.8421827645085055,0.829169786376007,0.022462832779628912,0.1578172354914942,-0.15537872413632456,-0.010005197220236775,540.9855603855818,532.6265276863037,14.42925299739073,101.37567423467151,-99.80926906992923,-6.4269508390104235,0.05805074900442256,0.08635849590420315,0.8539939785668329,0.7821671726151245,801.4744129541838,0.0,1.0,0.0,1081.704576180504,32.889277525973476,10.26525059141607,1441.3863532673224,37.96559433575777,11.296055096373882,1897.199080868063,43.55684883997077,12.379534140147875,4.447518059906644,4.447518059906644,9228.455105485047,9126.244425157916,152.73469445587034,1.011199643091453,60.42147226838121,59.752268190740146,7.639591844530132,10.888043545100286,21.716643183512502,0.9945404418670956,14.347039673125582,15.654258911486837,6.770596141849602,67.845671133389,37.24233335638641,5.56441687510419,15.229241171835813,9.728276107811844,55.356208090887684,4.637152948752089,3.264500882000258,43.737765648048295,6.313632918431125,57.40274332485747,4.187162240171851,4.736383701364053,32.29313733916943,2.0104236416020114,53.378235401401994,4.158252388186245,1.710641587763967,23.88745766356495,1.2331249445904178,49.141939668664804,2.4835606482235247E-5,4.216373809217451,13.535280615522492,1.2997845387932028,36.868036060744075,2.0857049252835013E-5,1.2040521759507836,15.635309146200283,0.5392631556738685,16.124800193906562,0.8290967593983275,0.322738427622468,2.181263089766367,0.7254352985583365,14.458193579950022,0.10330654070869458,0.11956543125773944,3.650066620502277,0.27332825464867716,13.350390496454105,0.087884169411933,0.10204263006847487,2.7630361214558596,0.1424058508487715,11.056148023031353,0.1426060754434655,0.19060981356435824,0.5333557896358013,0.08101388726398082,7.727314779324342,3.057884968331952E-7,0.13239319863255214,0.19467207002960452,0.07071833301500853,4.950897979545897,1.6276325661510851E-6,3.886816122674736,15.636575778206197,1.7598805835187354,19.744576512800208,3.314106437781158,1.1347140589156417,4.74933194620524,1.371888819136177,19.95392211070929,0.5209552527619157,0.465579729755262,10.654739356680116,1.051345091811199,19.934586921844414,0.45730995784283773,0.47167727692764383,6.576138328028025,0.4770431620864508,17.54924939730396,0.5963271382335156,0.49115715466871446,2.6700293008705462,0.27633126705196315,13.746685603559612,2.159018743723929E-6,0.45801026344945445,1.2414978380598998,0.25356620097463384,9.406972034216277,5.335082991892146E-6,13.542435396307507,15.652178524537044,6.37095937742496,62.22507894353436,33.262805835245196,5.152266422590411,14.396738738937344,8.755715097602984,51.84336635963259,4.1799491798406105,2.9672785147029326,40.866859308811755,5.782907758715587,53.85408008364714,3.77088353162902,4.2487850790073045,29.701866150121152,1.8795564194246595,50.028216182853136,3.782953594731993,1.6141464618767298,21.52718910806939,1.1484948425965325,45.74541357900453,2.2218188530614788E-5,3.786638175431282,12.125566899074553,1.2004749615223915,34.18572314543751,1.96028289392544E-5,5.728449468027589,15.638217696545782,2.613037264285352,24.289343489188983,6.489064665279793,1.7687043366505422,6.540527738364801,2.16935624364965,24.573512419793524,0.9584361129443003,0.790976650892352,15.813024312219946,1.7205098048904814,25.169365315819427,0.849667426536048,0.8965451214274706,9.851280274553014,0.7206169734688757,22.643674240561573,1.016452917606925,0.7003606054993033,4.917807874663934,0.42224372038168667,18.601570336315348,4.367640194900517E-6,0.8323749875753126,2.4578322056287716,0.3992852672494307,13.077255506382341,7.944766211718205E-6,17.32612715389974,15.663006574846175,8.270889410223123,91.44284197539285,53.96410680837025,7.194041837773902,18.34990332334737,13.80771520813323,69.50843099614005,6.533946053905359,4.483851058585436,54.84064625448477,8.46140689835301,71.50901205541982,5.916167735923306,6.773240967490727,42.777007691828075,2.5137102364421566,66.64373993351118,5.694811322705798,2.071825319896658,33.68303618654545,1.5624801219587952,62.69552089665452,3.5793543394152775E-5,6.011546895008701,19.4281356938103,1.6948095029671448,47.62644129965332,2.558830071000653E-5,8.997321589272318,14.793842818186754,4.00340141530127,35.51399047416668,14.70197672048905,3.110947525235933,9.61373238818379,4.256014218159693,33.49308413015965,1.9402071995793644,1.457958268065743,24.983490099048936,3.4666318143605688,35.726771810267,1.7393573373481808,1.914771707655404,16.86696473382151,1.1243105956913582,32.47914018247634,2.1451092367641404,1.2423081189871266,10.069147412893008,0.7367225028414754,27.381881563014197,9.783612567603173E-6,1.7255941093460687,5.437101620906331,0.6475371564327579,20.164182739157816,1.1611524358164227E-5,39.531609006971024,1.0701691308339683,0.46418269979791715,0.9626368944172634,0.026059761150262567,0.545754584251295,0.5197667646622166,0.5925590215054463,41.06596083760291,61.15215064406082,121.85559623963915,0.9439553416258951,1.6580803704189577,36.07441161053999,0.5064603944647417,0.10007047044076572,0.9834646870016626,0.013807180521704703,0.4544739265529455,0.11641193218545566,0.027540105300967007,36.68094247544549,21.9309258050318,60.44018186723991,0.9751970305024938,0.5984259640393681,37.447497227582815,0.7303481794279896,0.2446840292990231,0.9746234247710512,0.01900833157376152,0.4897282751567702,0.24208403002717543,0.16465122303348262,38.42252943630983,36.6912204684424,81.80578749621543,0.961935137156577,0.8964635282174283,39.44601844643214,1.0562133845572532,0.4551683068986699,0.9630986906793968,0.025788096436819292,0.5433939537592329,0.5062990928591662,0.5697675926267395,40.957400137888065,60.0987449387428,120.02001007243143,0.9446480360190953,1.6194606392451387,38.05953842893626,0.8301437538458213,0.30914424468447776,0.970935660519367,0.021177770599380516,0.5058668910128419,0.312760814913127,0.26283067193737203,39.19882642746656,43.61740952545199,92.58361377080405,0.9564034907790504,1.0814583778633409,39.7995702286559,1.1138608181049667,0.4924043572289469,0.9612067922392615,0.026901058926530833,0.5531781729978926,0.5630734286328934,0.6668029135673892,41.40583540398982,64.47713357172786,127.711836082286,0.9418101883588924,1.7830545151981754,39.49424250411313,1.0595454719682975,0.4565338456792674,0.9630317624856308,0.025836068211639505,0.5447231252221846,0.5094977256033041,0.5731914111122782,41.0103218217607,60.36012259563303,120.47453498596865,0.9445476437284464,1.627412261937767 +UMLCN0324,L,8-propyl-8-pentadecene,CCCCCCCC(CCC)=CCCCCCC,Olefins,,C18H36,NREL (2014),Unknown,UML,,45,0,-2.073500000000003,4.2994022500000115,70.0932,55.68454799999996,0,0,54,18,36,0,18,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2633.3324819999966,2888.3452250000023,3237.5900090000046,3264.093353000001,3260.029097000001,3150.054112000002,2976.581175000001,2782.8726380000003,2597.206933,8742.319031001432,11330.305519077283,15112.036538561775,16178.48221056663,16054.147232842904,15912.67269134327,15362.5321514989,14448.985039836563,13525.83956682102,377.59399199999984,384.4235240000003,724.4057960000011,972.5897960000027,945.7159400000025,946.0913920000024,964.2272280000029,921.497720000003,859.0119880000026,66.20626457456403,87.49889515999995,127.34607543667774,143.12782151094004,141.349369891544,141.011877011846,137.99463441578885,130.30694427093965,121.95434681669462,8939.333882492965,7667.9157711944035,15870.412903976166,22744.16113318467,22004.490525087676,21967.22850808788,22675.490073028916,21751.28787406308,20240.537614713154,84.02777777777777,101.83333333333334,164.83333333333337,203.58333333333337,199.41666666666669,200.16666666666669,199.66666666666669,189.58333333333334,176.25,48.76541633333327,54.497079716981176,31.74107851960789,23.482685992805763,24.148363681481488,23.33373416296298,21.569428804347833,21.082368469696974,21.115503520325202,161.8947968703969,213.77934941655252,148.1572209662919,116.39195834940021,118.91960913216967,117.8716495655057,111.32269674999202,109.46200787754972,109.96617534000829,6.99248133333333,7.2532740377358556,7.102017607843148,6.99704889208635,7.0053032592592785,7.008084385185203,6.987153826086978,6.981043333333356,6.983837300813029,1.2260419365660005,1.6509225501886782,1.2484909356537033,1.0296965576326622,1.0470323695669925,1.0445324223099703,0.9999611189549917,0.9871738202343913,0.9914987546072733,165.54322004616603,144.67765606027177,155.59228337231536,163.62705851211993,162.99622611176056,162.72021117102133,164.31514545673127,164.78248389441728,164.55721637978175,1.5560699588477365,1.9213836477987423,1.6160130718954253,1.4646282973621105,1.4771604938271605,1.4827160493827163,1.4468599033816427,1.4362373737373737,1.4329268292682926,0.08433192071668606,-0.0033289559270506,-0.034233830715279946,-0.002810690970930823,2.4904585147525135E-4,-0.00823684745725823,0.004027489231956892,0.0016353422789346498,2.938109975199909E-4,1452.7921080000024,-53.80711511111359,-484.2640360000023,53.80711511111036,-9.272582701669307E-13,-161.42134533333478,-40.35533633333428,-6.998845947236987E-13,-40.35533633333405,2701.528961270673,-100.05662819521578,-900.5096537568936,100.05662819521089,6.181721801112872E-13,-300.1698845856297,-75.04247114640611,1.7550405573274475E-12,-75.04247114640611,0.2845919999999993,-0.010540444444447579,-0.0948640000000025,0.01054044444444423,-4.761815941556335E-16,-0.03162133333333389,-0.007905333333333263,2.454633718507182E-16,-0.007905333333333152,12.077091418188026,-0.44729968215508487,-4.0256971393959775,0.4472996821551122,3.0808688933348094E-15,-1.3418990464653304,-0.3354747616163367,-4.912736883966318E-15,-0.3354747616163376,65.60295226138797,-2.429738972645101,-21.867650753796845,2.4297389726439427,-1.3233858453531866E-13,-7.289216917932135,-1.822304229482931,1.163513729807164E-13,-1.8223042294829097,5.385288065843625,-0.7922477518670896,-1.3908321902149003,-0.06994932174973031,0.19573045267490116,-0.8644547325102843,-0.012402834933696483,-0.12854366712391221,0.5838191586648384,0.0015617022354941863,-6.281048918963397E-5,-3.3562579132627397E-4,-2.022079835202031E-5,1.8447840850018619E-6,-6.101368486857948E-5,2.9184704579397766E-5,1.2388956658595832E-5,2.388707296910495E-6,26.9035575555556,-1.0152285870021431,-4.747686627451003,0.38710154756194504,-6.868579779014302E-15,-1.1957136691358132,-0.2924299734299585,-5.302156020634081E-15,-0.32809216531165897,50.028314097605055,-1.887860909343694,-8.828526017224448,0.7198318575195028,4.579053186009535E-15,-2.22348062656022,-0.5437860228000443,1.3295761797935207E-14,-0.6101013914341961,0.005270222222222209,-1.9887631027259582E-4,-9.30039215686299E-4,7.583053557154121E-5,-3.5272710678195076E-18,-2.3423209876543622E-4,-5.7285024154588856E-5,1.8595709988690774E-18,-6.427100271002563E-5,0.22364984107755603,-0.008439616644435563,-0.039467619013686055,0.003217983324856922,2.2821251061739328E-17,-0.009939992936780226,-0.002430976533451715,-3.7217703666411495E-17,-0.002727437086311688,1.2148694863219995,-0.04584413155934153,-0.21438873288036123,0.017480136493841315,-9.802858113727307E-16,-0.05399419939208989,-0.013205103112195152,8.814497953084576E-16,-0.01481548154051146,0.09972755677488195,-0.014948070789945088,-0.01363560970798922,-5.032325305735994E-4,0.0014498552049992679,-0.006403368388965069,-8.987561546156872E-5,-9.73815660029638E-4,0.004746497224917385,-0.04021924779390366,-0.21491023301254883,-0.01294792175642985,0.001181264931991403,-0.03906870559692338,0.018687752323132543,0.007932982598744543,0.0015295536131153776,-0.037735849056605444,-0.17647058823529466,0.014388489208632869,-2.553037740392046E-16,-0.04444444444444477,-0.01086956521739154,-1.9708010770267752E-16,-0.012195121951219709,-0.037735849056605916,-0.17647058823529466,0.014388489208633207,9.152923236781114E-17,-0.044444444444444356,-0.01086956521739109,2.657647381839657E-16,-0.012195121951219273,-0.03773584905661509,-0.1764705882352992,0.014388489208632836,-6.692831761337419E-16,-0.044444444444445334,-0.010869565217391233,3.528448935280346E-16,-0.012195121951219263,-0.037735849056601475,-0.17647058823529277,0.014388489208633096,1.0204009514062433E-16,-0.04444444444444426,-0.01086956521739139,-1.6641059741913857E-16,-0.012195121951219641,-0.03773584905662089,-0.176470588235301,0.014388489208632761,-8.069062746324565E-16,-0.044444444444445286,-0.010869565217390896,7.255510202804045E-16,-0.012195121951218912,-0.1498890705172676,-0.1367286049007427,-0.0050460729897310284,0.014538160282739807,-0.0642086159136495,-9.012114441392331E-4,-0.009764760027440176,0.047594640623070686,1.469703978921335,1.3857680827010475,1.0312467080938317,1.047949998100946,1.0845204693984434,0.9746770833006538,0.9815746223950736,0.9796789590856874,1.4999999999999987,1.363970588235293,0.9850119904076731,1.0141975308641968,1.0632716049382709,0.9921497584541055,0.970328282828282,0.9874661246612457,1.4999999999999984,1.3639705882352926,0.9850119904076727,1.0141975308641964,1.0632716049382704,0.9921497584541051,0.9703282828282818,0.9874661246612455,1.5000000000000013,1.3639705882352973,0.9850119904076761,1.0141975308641997,1.0632716049382742,0.9921497584541086,0.9703282828282849,0.9874661246612486,1.4999999999999964,1.3639705882352893,0.9850119904076703,1.014197530864194,1.063271604938268,0.9921497584541026,0.9703282828282794,0.9874661246612433,1.4999999999999987,1.3639705882352922,0.9850119904076726,1.0141975308641962,1.06327160493827,0.9921497584541049,0.9703282828282815,0.9874661246612453,1.640271277103829,1.1725795485832113,0.9587916637747204,0.9355621358295917,1.060101251313401,0.9389958760232067,0.9412920397016292,0.826803407971036,183.1420437261496,91.57102186307475,134.44857316900914,183.1420437261495,10.17455798478608,91.57102186307475,-1.1368683772161603E-13,0.04530646490119439,0.0025170258278441326,-5.56974997852507,218.79989301395483,12.155549611886379,9.698683646844731,183.1420437261496,91.57102186307475,134.44857316900914,183.1420437261495,10.17455798478608,91.57102186307475,-1.1368683772161603E-13,0.04530646490119439,0.0025170258278441326,-5.56974997852507,218.79989301395483,12.155549611886379,9.698683646844731,183.1420437261496,91.57102186307475,134.44857316900914,183.1420437261495,10.17455798478608,91.57102186307475,-1.1368683772161603E-13,0.04530646490119439,0.0025170258278441326,-5.56974997852507,218.79989301395483,12.155549611886379,9.698683646844731,183.1420437261496,91.57102186307475,134.44857316900914,183.1420437261495,10.17455798478608,91.57102186307475,-1.1368683772161603E-13,0.04530646490119439,0.0025170258278441326,-5.56974997852507,218.79989301395483,12.155549611886379,9.698683646844731,183.1420437261496,91.57102186307475,134.44857316900914,183.1420437261495,10.17455798478608,91.57102186307475,-1.1368683772161603E-13,0.04530646490119439,0.0025170258278441326,-5.56974997852507,218.79989301395483,12.155549611886379,9.698683646844731,183.1420437261496,91.57102186307475,134.44857316900914,183.1420437261495,10.17455798478608,91.57102186307475,-1.1368683772161603E-13,0.04530646490119439,0.0025170258278441326,-5.56974997852507,218.79989301395483,12.155549611886379,9.698683646844731,199.15275392250305,99.44829054149838,146.1717617592533,198.92504473183075,11.051391373990596,99.44829054149838,-0.25617283950627723,0.09454792568326709,0.005252662537959283,-4.2455671613137795,169.10078954969757,9.394488308316532,9.234890865040567,0,11.890000000000002,12.110335656157309,-0.1706932984825532,0.04987458004586663,5.139989485801067,9.846836251814183,17.0,53.0,52.0,52.0,16.0,1.0,1.0,0.0,0.0,1.0,39.35545199999999,3.6515412597655503,3.452225980644308,3.3884959464128834,3.1392413595217072,3.109404002838612,2.8737524411652857,2.6191609721037685,2.420376646824702,1.9680152082463112,1.8869816194486209,1.829960854611498,1.681876215324871,1.645622556177626,1.4653284880329884,1.3145477452950778,1.197973906075238,3.6709427543479816,3.482034595776482,3.4186461134298503,3.1770608179484996,3.1463288875351716,2.914763737650526,2.6684667466141847,2.476508468781848,1.9179000550072367,1.8243368850293344,1.7661219551231606,1.605557111097531,1.5694718928895408,1.3822352228195378,1.2194643725285566,1.0937426055520199,3.7595393616252615,3.6122821015246016,3.5506033532641443,3.341856078025802,3.3080759462849993,3.09431531657646,2.8829975616598196,2.7193696292558482,1.7778817837045993,1.638113129601406,1.5768119450729776,1.3743530645230708,1.3401275404614963,1.1298109771852696,0.925038761213622,0.7666171600504555,3.6854096226963144,3.5039520736572753,3.4408272866821226,3.204861348316671,3.1735192858002184,2.944970201391781,2.704732118545532,2.5177374110367623,1.886630137727791,1.7842745051293138,1.7253395598471457,1.5563395364768116,1.5204718707518303,1.3285680160765778,1.1575667153579354,1.025525093702949,3.804672526425051,3.6751952188472354,3.614457213902834,3.420848684164565,3.3860696112886255,3.180610489635152,2.9849476212671626,2.8337195790368286,1.7365753566494362,1.5794134091524599,1.5172719971845248,1.3003944112347292,1.267254846677093,1.049053190820139,0.8291890518095993,0.6587163179010713,3.722806691726993,3.509448924826045,3.467330500522962,3.2832993755809996,3.2299628130777958,3.0367246879923098,2.7870748763981155,2.611285638588727,1.8532991267036303,1.759096147808035,1.6761197441271265,1.4755327390117212,1.439399220943506,1.2155864621329775,1.0420837551141673,0.897007930550114,0,0,0,1,1,3,13,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.14433756729740646,0.0,0.0,0.0,0.4330127018922194,0.6546479303772353,0.637136847124151,0.3061862178478973,0.46290599085948186,0.4505237851453038,13.476845205801295,8.846065214951231,6.060477932315069,4.128775077636813,2.9143931773270695,1.9128492513477444,1.2479807653676673,0.7989854976746418,0.7487136225445163,0.5203567773500725,0.35649870190088645,0.24286912221393014,0.17143489278394528,0.11955307820923403,0.08319871769117783,0.05707039269104584,13.269738424614747,8.525350549804866,5.625921304443525,3.6632488487954222,2.4831543514771552,1.5780240643110834,0.9833674943768506,0.6041255548590972,0.7372076902563749,0.5014912088120509,0.33093654732020733,0.21548522639973072,0.14606790302806796,0.09862650401944272,0.0655578329584567,0.04315182534707838,27.752900468145683,51.98106336489446,49.05882352941171,49.680000000000035,32.373980838323405,414.5085916167665,0.5139426012619571,0.9626122845350826,0.9084967320261428,0.9200000000000007,0.5995181636726556,7.676085029940121,6.969990000000007,84.85600000000008,95.69679849735843,141.45836398124558,191.39359699471692,10.632977610817605,95.69679849735843,1.1102230246251565E-16,6.1679056923619804E-18,-66.12624102541878,5000056.81875396,277780.93437522,27.76492770135228,345,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,16.0,3.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,13.0,0.0,1.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.295745228647014,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.19620602639203832,0.0,0.0,3.7609077774628377,0.8708333333333333,0.0,0.19620602639203832,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.884301772485047,0.0,17.986619665534604,0.0,2.5545443594104307,0.0,0.0,0.0,0.0,1.7412008692365837,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7412008692365837,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.19620602639203832,0.0,0.0,0.20699266975308644,0.2902777777777778,0.0,0.19620602639203832,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2863625107071246,0.0,1.3152314814814814,0.0,2.5545443594104307,0.0,0.0,0.0,0.0,1.7412008692365837,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.5545443594104307,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.19620602639203832,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.19620602639203832,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3075455089443184,0.0,1.4369097222222222,0.0,2.5545443594104307,0.0,0.0,0.0,0.0,1.7412008692365837,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,29.166666666666664,1.6203703703703702,0.2902777777777778,2.5545443594104307,-0.0571138038548753,1.3152314814814814,12.113332142573784,0.18476851851851853,0.5545443594104308,3.02676066893079,0.18476851851851853,0.5545443594104308,3.02676066893079,9.0,0.5,0.0,0.0,0.43333,0.7,0.42857,0.42857,0.7,0.00476,0.00476,-0.0,0.0,0.71429,0.0,0.0,0.16667,0.05556,0.0,9.5,0.52778,8.5,0.47222,1.0,0.05556,-7.5,-0.41667,0.0,0.0,23.80719,1.32262,25.37116,1.56397,0.08689,8.33094,0.46283,8.84606,0.51512,0.02862,0.06794,0.00377,0.06794,0.00377,0.0,17.0,0,0,0,0,0,0,0.8888888888888888,0.9182958340544896,1.6390733994546838,2.924476578243927,3.870654058425424,4.281113262802843,4.337677779700863,49.58797503894244,88.50996357055293,157.92173522517206,209.0153191549729,231.18011619135353,234.23460010384662,0.15956799046189332,0.2848141512476998,0.5081726753380515,0.6725855295990245,0.7439091139824051,0.753738066655547,4.83659166810898,4.115814102708786,2.8304109239195423,1.884233443738045,1.4737742393606261,1.417209722462606,0.15956799046189332,0.2848141512476998,0.5081726753380515,0.6725855295990245,0.7439091139824051,0.753738066655547,6.732876570223358,14.040267478178531,19.481107767965838,22.54447995016153,23.037612125863006,23.675729338983345,71.09775004326937,50.95012178596711,39.31531434073957,29.8278433583461,27.846269252457954,25.54040811359068,18.0,15.058823529411764,13.28719723183391,18,2,15,3.44,2.601799999999999,0.26817106052897033,7.478081066260969,0.5684367439851988,0.0,22.97178030389421,5.205177412138249,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.103,0.076,0.20300000000000004,0.184,8.673000000000002,17.0,17.0,17.0,16.0,15.0,14.0,13.0,10.0,7.0,161.0,2.9444389791664403,3.044522437723423,3.1354942159291497,3.2188758248682006,3.2188758248682006,3.2188758248682006,3.2188758248682006,3.1780538303479458,2.9444389791664403,2.6390573296152584,5.43372200355424,1.4161490683229814,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,0.7647058823529411,16.0,0.9411764705882353,2,7.0,14.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407406,0.060000000000000026,0.01652892561983471,0.08823529411764706,0.039215686274509824,0.022058823529411766,0.014117647058823535,0.01041666666666667,0.008163265306122448,0.006696428571428571,0.0056980056980056966,0.006000000000000003,0.0023612750885478157,0.2154821285252545,95.69679849735843,141.45836398124558,191.39359699471692,10.632977610817605,95.69679849735843,1.1102230246251565E-16,6.1679056923619804E-18,-66.12624102541878,5000056.81875396,277780.93437522,27.76492770135228,0.0,317.2477232656013,5.169925001442312,4.23410650459726,4.919980925828125,5.631211781821365,6.340359303727752,7.065613363597717,7.786136437783072,8.519390774959724,9.246575864558277,9.984929281123371,98.72830423799668,3.5553480614894135,0.0,4.634728988229636,0.0,5.8664680569332965,0.0,7.1785454837637,0.0,8.539932678385727,8.843759381917984,252.28170115199998,4.671883354666666,34.680248775252615,1.9266804875140342,0.0,0.0,0.0,822.0,17.0,9.454,68.0,1.2275946867923029,2.1284902531513326,2.899725495109607,3.689905131681652,4.795023045699077,5.690414675550018,6.677119564360638,7.760136667200511,8.781168342160564,9.931247966251082,78.80249485913725,77.26064230134834,82.11564723993878,110.08340989691843,130.01059659632202,143.31395928417544,162.66085090340147,186.41797749131726,185.0491114870127,159.62144528728408,290.24339590128005,342.3892579282395,374.48955461115577,504.05193693552906,619.1641303123962,695.4529503530804,799.5642432722561,921.6766131243401,996.574611732915,940.9349661050936,8.942165945872967,15.175165614638836,20.360984649950936,26.01829007621331,33.735106255498785,39.91324103272546,46.79369376837121,54.366078180575364,61.525408355871214,68.98285429653332,2.1775476403026794,2.8203938040412897,3.202232669646403,4.277946108199066,5.344641684456101,6.078284505583368,7.029353129877235,8.123037250082309,8.992873600987053,8.899431656463921,175.23438363095323,327.0028809207496,469.51658313755763,588.9425486847288,770.6828296355309,923.7959407016441,1086.931376140983,1264.4905671152987,1428.7804015886202,1661.7352360425218,2.4348917632620464,3.5475237968089464,4.388930863751535,5.771757510580673,7.367275993548866,8.514042883101734,9.924258327438707,11.416133059939055,13.070594550661808,13.891775766313279,0.45065389943584955,0.5941185110581152,0.6803764580151259,0.9070867294236016,1.136636485791777,1.2958979618968802,1.500243545648668,1.7344159120799345,1.9264864508720045,1.9233618557578915,660.0776762512612,647.025191367661,17.353986427327232,123.2787137207415,-120.84098009452943,-7.882636644212849,536.7989625305197,767.8661714621904,25.23662307154008,0.8426275507561158,0.8259652945331639,0.022153373163838582,0.1573724492438844,-0.15426054046594084,-0.01006264421292916,517.0760655692961,506.851318130715,13.59435615933419,96.57116814067203,-94.66155392752918,-6.174913785071598,0.05831554244314239,0.08647183715722405,0.7869361393046699,0.6363449042673487,783.3563899720025,0.0,1.0,0.0,1078.9417594080358,32.847248886444596,10.256503536882676,1439.241088391023,37.937331065732906,11.290448211396178,1969.5163172418686,44.3792329501296,12.534870775314355,2.799382309986316,2.799382309986316,6789.211831145712,6392.026706216382,448.18030675733917,1.0621375884651825,15.148393913750507,14.262176650428449,8.184562597642419,9.634470879607246,19.254909024453998,0.9985434867222239,14.611196047400796,15.289741821617325,10.820419564476529,58.79778291244388,39.513581146025146,8.48723769187164,22.417511370808572,15.217045346443353,45.50122328598786,11.830922610068624,18.19846204991982,30.861535935299244,14.661644469594474,36.49456558957056,5.632618504579516,7.6466144370054945,28.765450610868296,12.254975976172823,33.73794001511257,1.1255661862126438,5.542821362719009,24.836137859091593,0.3567258291082146,30.6536580681942,0.35678604376399964,2.811608893063596,10.511683343711828,1.6523347741199343,20.840837787964386,1.0081781980219077E-5,1.2262225601189976,15.276355540266163,0.8886998874892055,13.045646328515765,1.561326889349372,0.5372607459159215,4.714651181048221,1.6333952437418346,11.109539125616912,0.40606347093970613,1.3363606872311062,3.9254174097528685,1.5572855716129619,10.41567318827116,0.3141893944967187,1.4788623902440596,3.6880212658312326,0.481509844650921,7.079104144258125,0.4783463665790288,0.38671876288619483,1.42158086921008,0.021633715193419622,5.721348095490469,0.002514997262913239,0.1282669491319597,0.3074445972303678,0.058924068228621736,3.7079979477426934,2.3896788057269625E-7,3.9583810063820315,15.27725038917195,2.881603510315992,16.93537266909444,4.863746015186075,1.8461217658362568,7.7007588458653595,2.6418814847173513,16.132087502459214,1.3949855438111851,3.4173598491834762,8.297488468930865,3.1177587690717194,14.006134312954249,0.6925756060557886,2.593592656323112,7.251091578649872,1.8869325762494626,10.898729361979607,0.5216508411868239,1.2083747225951826,4.517411429889006,0.07530788614654763,9.178166513822564,0.026191531089973994,0.45344238458846065,1.3303072978779722,0.24276028743149763,6.144506010403638,1.17144801572672E-6,13.791777561666217,15.288272249369482,10.200247092165556,54.069102169823374,35.617873891792,7.889498815967799,21.111793300745223,13.761339183735101,42.68912994274689,10.656344162365558,16.684729566188626,28.814126192413536,13.465165141402373,34.28502837758698,5.056837588003497,7.218001948073532,26.679849298026515,11.181226808920359,31.53209123707796,1.0545269171675158,5.1455139302347375,22.807120729716807,0.3310024160641055,28.549831726146117,0.3178914030660464,2.5686051454360705,9.51198013147939,1.504760121310492,19.416747767224084,9.09832953387769E-6,5.833922127161516,15.27841028939475,4.25987515828879,21.223545995975336,8.45040096102692,2.837816863815532,9.936923172362008,3.858010993164742,20.173016790855687,2.472654202444094,5.249984433234402,11.63315988494579,4.519864857710082,16.98537655325084,1.1623137065053668,3.4016477065790918,10.15896726659102,3.1479765312003725,14.002391128854928,0.5777466090399012,1.8409493847035248,7.14249172021916,0.11652576032466437,12.035856621660619,0.05688628099862495,0.7427453816081038,2.3472182868438813,0.4109464989183756,8.132027233592389,2.1312454926021484E-6,17.64513387584556,15.295921096049584,13.130445524731256,78.4947947746823,55.72285729784341,10.826481214668231,27.50401846326633,21.31551692643133,56.71549751669203,16.719362732165127,24.349778693407053,38.89452579415617,19.539298641346356,45.37150975841041,8.048548597136183,9.29151103484295,37.11240761918415,16.63137494421804,42.5567278216528,1.4242641951354784,7.106584537120468,33.02492810302377,0.4578828341362422,39.09887454130219,0.5203319905264848,3.800736072221318,14.638926684353386,2.2555394078845374,26.539647450876434,1.415552711568796E-5,9.14198109967134,14.418114987800083,6.622843940071249,31.03699148805507,16.689238995571994,4.412578782992198,14.14646992533572,6.693969806074851,28.17658953264773,5.207689583967113,9.285649912508278,17.720794479090202,7.5075711924494515,23.10354697080666,2.375977743179599,5.224987632497427,15.973205719383282,6.074088533968874,19.957484214981765,0.7896227189893708,3.5514343604543797,12.765384126029343,0.1874974944227001,17.38441647802364,0.13589757351497211,1.306874345609361,4.573263163707583,0.7464463125910505,12.362236993507654,4.26027807860928E-6,28.04874087226781,2.4052202546211867,0.4685114895376197,0.9070665603037118,0.07778227454370797,0.4943162229492596,0.29101272660396266,0.5922687740974093,30.922472616426617,81.7314303524792,144.26128083410214,0.8605998404555678,1.3775977236506316,25.236928997518593,1.6770240545088535,0.10100368946750864,0.9341835798224577,0.06207761391425609,0.4001583050422824,0.14117942847970802,0.02752661575748928,27.014956741494952,45.041345547180775,76.33107507384446,0.9012753697336865,0.5688643492794797,26.353658992938747,1.966270361886773,0.24696585878173782,0.9225244394212542,0.06883038381259508,0.4363627913773089,0.19425095484474877,0.16457057380114817,28.56689521360726,58.812474278838906,100.17674974396287,0.8837866591318814,0.7951843200232058,27.979125410037003,2.3871950910065327,0.45941303187320726,0.9076548131501871,0.07744163130643449,0.49186493197599224,0.28665382901631453,0.569488508943997,30.825733532916743,80.74231419771442,142.25299335376613,0.8614822197252807,1.348007269936304,26.851444891121094,2.0951859710235325,0.3120272053619835,0.9177264667835583,0.07160909315080156,0.4530066904014725,0.22063932985441903,0.2627019324021439,29.25865806750661,65.29090697014834,112.10383201680249,0.8765897001753374,0.9363479526580355,28.266689173991832,2.4616513534111366,0.4969963313045269,0.905248494256336,0.07883506155754028,0.5020300255495278,0.30487264143057907,0.6664762999237779,31.225336858707497,84.8546061708044,150.66230638147152,0.857872741384504,1.4733789669038848,28.02687505651213,2.3961525078325394,0.4607913051423922,0.9074938295342235,0.07758601738853989,0.4935470100643837,0.2888488611153812,0.5729106503714488,30.88381886948706,81.17533353112815,143.0043606150719,0.8612407443013352,1.355306521551214 +UMLCN0325,L,"10,13-dimethyl-11-doeicosene",CCCCCCCCCC(C)C=CC(C)CCCCCCCCC,Olefins,,C24H48,NREL (2014),Unknown,UML,,56,0,-2.683600000000002,7.201708960000011,88.8526,74.24606399999993,0,0,72,24,48,0,24,0,0,0,0,0.0,0.0,0.0,0.0,0.0,3511.1099759999965,3899.2150070000057,4531.9982640000135,4514.228063000034,4328.648038000039,4275.139366000039,4029.9591560000054,3775.8008590000027,3569.899554000003,11656.425374668599,15248.24632601949,20902.09949391455,22814.440745227577,22149.563589012676,21535.198401375957,20991.69234120473,19762.73046449043,18476.17841965696,503.45865599999945,515.0782040000006,981.2057280000006,1372.4495960000024,1383.4678000000029,1321.4049520000026,1301.2021280000024,1296.3883960000032,1173.0373200000029,88.27501943275173,117.59482687999987,175.14757199577235,202.60442181276986,198.47363490671287,191.7963931424678,188.44970585822273,179.41610471156173,166.39305970852453,11919.111843323954,10266.152480289196,21389.297906148295,31981.874393620797,32537.013410848926,30999.934959876096,30434.248178426456,30810.322517474197,27667.10849421739,111.55555555555556,134.83333333333331,222.3333333333333,289.2777777777778,286.33333333333337,273.41666666666663,273.16666666666663,263.91666666666663,242.66666666666663,48.765416333333285,54.918521225352194,32.84056713043488,23.031775831632828,21.861858777777975,22.619785005291213,21.666447075268845,20.300004618279583,21.249402107142874,161.89479687039722,214.7640327608379,151.46448908633732,116.40020788381418,111.86648277279129,113.94284868452887,112.85856097421897,106.25123905640015,109.9772524979581,6.992481333333326,7.254622591549304,7.110186434782613,7.0022938571428694,6.987211111111126,6.991560592592607,6.99571036559141,6.969830086021523,6.9823650000000175,1.2260419365659962,1.656265167323942,1.269185304317191,1.033696029656989,1.0023920954884489,1.014795730912528,1.013170461603348,0.9646027135030201,0.9904348792174079,165.54322004616603,144.59369690548164,154.99491236339344,163.17282853888162,164.32835055984305,164.02081989352433,163.62499020659385,165.6468952552376,164.68516960843687,1.5493827160493827,1.8990610328638495,1.6111111111111107,1.4759070294784582,1.4461279461279464,1.446649029982363,1.468637992831541,1.4189068100358422,1.4444444444444442,0.11351712945514929,-0.01016008502309776,-0.03635123464351524,-0.009305270647701064,-0.008307779961791398,0.009722967805940626,-0.01039709342137006,0.005151817557827527,-1.847860652285972E-4,1937.0561440000001,-53.80711511110471,-645.6853813333265,-147.96956655555368,8.775202786637237E-13,40.355336333334385,-242.13201799999933,121.06600899999961,6.501466032204917E-13,3602.0386150275526,-100.05662819523374,-1200.679538342542,-275.1557275368343,-1.9042545318370685E-12,75.0424711464069,-450.2548268784508,225.12741343922727,1.2789769243681803E-12,0.3794559999999994,-0.010540444444474224,-0.12648533333335996,-0.028986222222226854,1.0408340855860843E-17,0.007905333333332059,-0.04743200000000253,0.02371600000000506,1.2871648191747909E-15,16.102788557584034,-0.44729968215507565,-5.367596185861295,-1.2300741259265433,4.85722573273506E-15,0.3354747616163349,-2.01284856969799,1.0064242848489948,-4.0245584642661925E-15,87.4706030151838,-2.4297389726458736,-29.156867671729646,-6.6817821747712856,-4.440892098500626E-16,1.8223042294829215,-10.933825376898124,5.4669126884493195,8.482103908136196E-14,7.234567901234584,-1.4303840877914957,-0.6193415637860109,-0.1015089163237335,-0.9506172839506168,0.777777777777773,-1.411522633744855,0.17181069958847406,-0.21399176954732912,0.0015766267979881845,-1.4309978905771494E-4,-2.634147437935887E-4,-4.747587065153604E-5,-4.195848465551211E-5,5.144427410550596E-5,-5.5898351727796024E-5,2.7697943859287778E-5,-1.0999170549321262E-6,26.903557555555558,-0.7578466917057001,-4.678879574879177,-0.75494676814058,4.431920599311736E-15,0.2135202980599703,-1.3017850430107492,0.6508925215053742,3.869920257264831E-15,50.0283140976049,-1.409248284439912,-8.700576364801028,-1.4038557527389506,-9.617447130490245E-15,0.3970501118857508,-2.4207248756905955,1.210362437845308,7.61295788314393E-15,0.005270222222222214,-1.4845696400667921E-4,-9.165603864736228E-4,-1.4788888888891253E-4,5.2567378059903247E-20,4.1827160493820414E-5,-2.550107526881856E-4,1.2750537634411321E-4,7.661695352230899E-18,0.22364984107755603,-0.006299995523310925,-0.038895624535226776,-0.006275888397584405,2.4531443094621515E-17,0.0017749987387107667,-0.010821766503752635,0.005410883251876316,-2.3955705144441623E-17,1.214869486321997,-0.034221675671068645,-0.21128164979514236,-0.03409072538148615,-2.2428747972225387E-18,0.009641821320015457,-0.058784007402678085,0.029392003701340427,5.048871373890593E-16,0.10048010973936922,-0.0201462547576267,-0.004487982346275441,-5.179026343047628E-4,-0.004801097393689984,0.004115226337448535,-0.007588831364219651,9.2371343864771E-4,-0.0012737605330198163,-0.0907632606779955,-0.1670748867961096,-0.03011230730830939,-0.026612819666044108,0.03262932874866148,-0.03545439656304442,0.017567850486006613,-6.976394517305225E-4,-0.028169014084503684,-0.173913043478259,-0.02806122448979556,1.6473362640460718E-16,0.007936507936508142,-0.048387096774193415,0.024193548387096694,1.4384418303317274E-16,-0.028169014084513784,-0.1739130434782644,-0.02806122448979667,-1.922400805217356E-16,0.00793650793650789,-0.04838709677419427,0.024193548387097336,1.5217298484796234E-16,-0.02816901408458667,-0.17391304347829772,-0.028061224489800446,9.974413951322524E-18,0.007936507936506668,-0.0483870967741962,0.02419354838710197,1.453770833405258E-15,-0.02816901408450475,-0.17391304347825925,-0.028061224489795582,1.0968683445705932E-16,0.007936507936507957,-0.04838709677419321,0.024193548387096597,-1.0711255160755691E-16,-0.028169014084528834,-0.1739130434782711,-0.028061224489797185,-1.8461858022402187E-18,0.007936507936507613,-0.04838709677419421,0.024193548387098245,4.1558961112571776E-16,-0.20049992789501478,-0.044665380620270166,-0.005154280142091075,-0.04778156996587018,0.04095563139931707,-0.07552570736540769,0.00919299790817992,-0.012676743052169885,1.5249012853023574,1.303739181180091,1.0814120713588695,1.0760112065636125,0.9694002237628693,1.0450868923632268,0.9405664582785448,0.9954689360753985,1.500000000000001,1.38269927536232,1.0414540816326538,0.9861111111111119,0.9861111111111119,1.0497311827956999,0.9304435483870975,0.9773065476190483,1.500000000000003,1.3826992753623215,1.041454081632655,0.9861111111111132,0.9861111111111132,1.049731182795701,0.9304435483870986,0.9773065476190496,1.5000000000000007,1.3826992753623217,1.041454081632655,0.986111111111113,0.9861111111111133,1.049731182795701,0.9304435483870986,0.9773065476190496,1.4999999999999953,1.3826992753623157,1.041454081632651,0.9861111111111089,0.9861111111111088,1.0497311827956965,0.9304435483870943,0.9773065476190448,1.500000000000001,1.3826992753623193,1.0414540816326534,0.9861111111111114,0.9861111111111115,1.0497311827956992,0.9304435483870971,0.9773065476190481,1.6970989761092112,1.0588366226443067,1.0195092115344406,1.045008532423206,0.9130302291565069,1.1344131894748404,0.9497412749091687,1.022290955631397,348.8246726965324,174.41233634826605,268.84615843182655,348.82467269653205,14.534361362355503,174.41233634826605,-2.8421709430404007E-13,1.8318679906315083E-15,7.632783294297951E-17,-81.44025645304937,306.7797368215043,12.782489034229345,13.742712049070134,348.8246726965324,174.41233634826605,268.84615843182655,348.82467269653205,14.534361362355503,174.41233634826605,-2.8421709430404007E-13,1.8318679906315083E-15,7.632783294297951E-17,-81.44025645304937,306.7797368215043,12.782489034229345,13.742712049070134,348.8246726965324,174.41233634826605,268.84615843182655,348.82467269653205,14.534361362355503,174.41233634826605,-2.8421709430404007E-13,1.8318679906315083E-15,7.632783294297951E-17,-81.44025645304937,306.7797368215043,12.782489034229345,13.742712049070134,348.8246726965324,174.41233634826605,268.84615843182655,348.82467269653205,14.534361362355503,174.41233634826605,-2.8421709430404007E-13,1.8318679906315083E-15,7.632783294297951E-17,-81.44025645304937,306.7797368215043,12.782489034229345,13.742712049070134,348.8246726965324,174.41233634826605,268.84615843182655,348.82467269653205,14.534361362355503,174.41233634826605,-2.8421709430404007E-13,1.8318679906315083E-15,7.632783294297951E-17,-81.44025645304937,306.7797368215043,12.782489034229345,13.742712049070134,348.8246726965324,174.41233634826605,268.84615843182655,348.82467269653205,14.534361362355503,174.41233634826605,-2.8421709430404007E-13,1.8318679906315083E-15,7.632783294297951E-17,-81.44025645304937,306.7797368215043,12.782489034229345,13.742712049070134,390.9723089561912,195.26856188550272,300.9509361499015,390.5733892031043,16.273891216796017,195.26856188550272,-0.4351851851857589,4.440892098500626E-16,1.850371707708594E-17,-84.84121490053732,423.69354775848603,17.653897823270253,14.517625030058552,0,11.890000000000002,12.110491665894921,-0.17069339071508213,0.050045816908123486,5.120472834897372,9.220942384453174,23.0,71.0,70.0,70.0,22.0,1.0,1.0,0.0,0.0,1.0,52.47393599999999,3.642985560517599,3.5211450079536437,3.47228284452247,3.369832506173412,3.2395306343390033,3.1327427062979156,2.917776940890271,2.8298630086875556,1.9746235524068536,1.9316690313434113,1.8851677231678752,1.8171991524429998,1.721188755749051,1.653705744701343,1.5002046106180864,1.4659604780065456,3.6638580345650538,3.5491701356507175,3.5006382059295307,3.4000976584034532,3.27237080295282,3.1681868945312583,2.957593706930652,2.8741574726884234,1.9231070065835594,1.8722162571257144,1.8256112660416413,1.7522098807117148,1.6518175562741784,1.5789187281798955,1.417384292880617,1.3772967564691436,3.758103000082568,3.6717806718410846,3.6243576168170675,3.533237220125462,3.4164963346577815,3.324188922372248,3.132896278435242,3.0680199820808833,1.7774190838147361,1.696135889336121,1.6488708727749188,1.559789730055581,1.445155563862397,1.3552499963464653,1.167746057227785,1.1062870899596626,3.6793634865574774,3.569783198736193,3.5214756724316225,3.4224037546138657,3.2965596464152416,3.1943259835728113,2.9869723005589357,2.906786994977831,1.8908109789232406,1.8342560430787003,1.787565308757159,1.7106990562569784,1.6073936332257737,1.5309287351709822,1.3640540722722108,1.3198740731948961,3.805525554824634,3.7311261862578093,3.684055308363765,3.5979777193736022,3.486316469707838,3.399858170708145,3.217732906779864,3.1609974260424805,1.7338310421422427,1.6408104026492398,1.593157641904318,1.4995148065914266,1.3800542086263297,1.2847007930783407,1.0885512711021672,1.019185972535417,3.747572324621695,3.5620963166681117,3.5339454011738667,3.442904195762654,3.3424650913605474,3.2506506530086896,3.055146488174445,2.991580164449061,1.8565183087287267,1.8201572406269315,1.743863704613764,1.6745128923738783,1.5369452012411684,1.459307846883004,1.2683618052362216,1.210378688859083,0,0,0,2,0,4,16,2,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5773502691896258,0.0,0.0,0.0,0.47140452079103173,0.0,0.0,0.0,0.8164965809277261,0.8130525295851416,0.9772838841927124,0.6054988603092419,0.5852871903890684,0.6821064926405203,17.88262259973711,11.7019072626078,8.607684656543617,5.753218857624056,3.757522850350247,2.656969887946064,1.6430591647796071,1.0784849439730317,0.7451092749890463,0.5087785766351217,0.35865352735598405,0.2501399503314807,0.17079649319773849,0.1207713585430029,0.08215295823898036,0.05676236547226483,17.623109575743268,11.385410681680073,8.159458904154086,5.2942154917201405,3.418646400043062,2.3340147186160944,1.434337229560096,0.9170073593080473,0.7342962323226362,0.49501785572522056,0.33997745433975357,0.23018328224870177,0.15539301818377554,0.10609157811891338,0.0717168614780048,0.048263545226739334,37.003867290860974,69.30808448652598,65.41176470588225,66.24000000000007,43.16530778443121,552.6781221556885,0.513942601261958,0.9626122845350831,0.9084967320261423,0.9200000000000009,0.5995181636726556,7.6760850299401175,9.022390000000001,112.4180000000001,180.18080408432974,279.27047548963037,360.3616081686595,15.01506700702748,180.18080408432974,5.551115123125783E-17,2.3129646346357427E-18,-89.83187460056892,229.31778996649157,9.554907915270482,13.044261049582593,712,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,22.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,16.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.978170295513369,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.37669002824576414,0.0,0.0,4.923309971754237,0.5805555555555556,0.0,0.37669002824576414,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.382244715182225,0.0,22.756000436629083,0.0,4.978170295513369,0.0,1.5502512193419893,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4890851477566844,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.18834501412288207,0.0,0.0,0.20380222681359045,0.2902777777777778,0.0,0.18834501412288207,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2942638151379557,0.0,1.3599904224414436,0.0,2.4890851477566844,0.0,0.7751256096709945,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4890851477566844,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.18834501412288207,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.18834501412288207,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.396858542453156,0.0,1.4519233696565046,0.0,2.4890851477566844,0.0,0.7751256096709946,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,38.66666666666667,1.6111111111111114,0.2902777777777778,2.4890851477566844,0.18834501412288207,0.7751256096709945,17.074266378378027,0.5582077236623387,0.48908514775668455,4.720830021391186,0.5582077236623387,0.48908514775668455,4.720830021391186,12.0,0.5,0.0,0.0,0.43333,0.7,0.42973,0.42973,0.7,0.0036,0.0036,-0.0,0.0,0.71429,0.0,0.0,0.16667,0.08333,0.0,12.5,0.52083,11.5,0.47917,1.0,0.04167,-10.5,-0.4375,0.0,0.0,35.23262,1.46803,37.21982,1.9872,0.0828,11.21275,0.4672,11.70189,0.48915,0.02038,0.21211,0.00884,0.21211,0.00884,0.0,23.0,0,0,0,0,0,0,0.9166666666666666,0.9182958340544896,1.5576493072947764,2.530493056757482,3.3218881955261783,3.6388301270322083,3.634893753418978,66.11730005192325,112.1507501252239,182.19550008653871,239.17595007788483,261.995769146319,261.7123502461664,0.14883419714823506,0.2524583859496919,0.41013351964018063,0.5384000931534236,0.589768939846364,0.5891309460924188,5.251629167387822,4.612275694147536,3.63943194468483,2.848036805916134,2.531094874410104,2.5350312480233343,0.14883419714823506,0.2524583859496919,0.41013351964018063,0.5384000931534236,0.589768939846364,0.5891309460924188,6.732876570223358,12.573951659621876,16.757474292725274,19.237406870498223,19.93700928362328,19.552861706897712,94.79700005769251,74.58135981200206,63.7426944780984,51.4984152975695,47.30893669079486,49.36510593455526,24.0,19.32638888888889,19.21361058601134,24,2,22,4.1,3.447199999999998,0.5453038740612918,10.57441525942813,1.754765350603323,0.0,27.60653971802369,8.028983345468422,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.14300000000000002,0.128,0.14900000000000005,0.14600000000000002,11.234000000000002,24.0,23.0,22.0,22.0,20.0,19.0,18.0,17.0,16.0,228.0,3.2188758248682006,3.295836866004329,3.367295829986474,3.367295829986474,3.4339872044851463,3.367295829986474,3.367295829986474,3.367295829986474,3.367295829986474,3.367295829986474,5.707110264748875,1.3157894736842106,0.47619047619047616,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.0,0.782608695652174,22.0,0.9565217391304348,2,11.0,21.0,0.9090909090909091,2.5,1.1111111111111116,0.5,0.4800000000000002,0.27777777777777785,0.20408163265306128,0.15625,0.12345679012345678,0.10000000000000006,0.049586776859504134,0.10869565217391304,0.046296296296296315,0.021739130434782608,0.021818181818181827,0.01262626262626263,0.010204081632653064,0.008223684210526315,0.006858710562414266,0.005882352941176474,0.0030991735537190084,0.2624693130139582,180.18080408432974,279.27047548963037,360.3616081686595,15.01506700702748,180.18080408432974,5.551115123125783E-17,2.3129646346357427E-18,-89.83187460056892,229.31778996649157,9.554907915270482,13.044261049582593,0.0,421.02363102080307,5.584962500721157,4.553876891600541,5.241747015059643,5.958424693029782,6.663132695990803,7.385851078125209,8.099554282376364,8.826294231241318,9.546169544733285,10.276119503549053,113.551169935706,3.8501476017100584,0.0,4.962844630259907,0.0,6.208590026096629,0.0,7.516977224604321,0.0,8.863191340690854,9.170871628065816,336.37560153600134,4.671883354666686,46.46843610960781,1.9361848379003253,0.0,0.0,0.0,2066.0,23.0,13.350000000000009,94.0,1.2304654214835569,2.13615285167663,2.8927489912634488,3.624683624661637,4.804403518436173,5.862043078022663,6.990205951562846,8.205859877588084,9.403544950695329,10.60190323335752,79.60244972627898,79.20840822002772,79.55188965242041,100.7614741599924,130.55602104815392,150.77817770708427,166.0617843271917,199.78060335306068,225.2160821678687,250.5869743818308,292.36063412132006,349.03427254585307,369.8992616570959,472.2326545752853,612.7581789463209,734.5994858499176,817.865107617039,980.9494197596048,1112.8592859267546,1244.245766794408,8.965047307440958,15.244658701550222,20.316010940173538,25.499047516834263,33.74977148524853,41.19533329703775,48.915622381144644,57.49804815879524,65.86209856861984,74.22799519020772,2.1904447593008762,2.8655427642182585,3.181361602781995,4.056888437058547,5.2828643432373985,6.4005412173786285,7.220136255932894,8.624455468505685,9.81256630031116,10.996563843662722,175.52151573682926,327.0730404214881,467.91593297761045,582.9103230769726,776.3840813359694,945.4830886986322,1143.5124435185637,1336.5241660023653,1533.652297754493,1731.1186841121585,2.4054527992362744,3.546506947030444,4.3877768955121015,5.519940267188601,7.228650008208575,8.917282289124465,10.253075147633835,12.195961558274554,13.975859552221829,15.918011598536747,0.453210173721211,0.6032250715628492,0.6764863443899078,0.8621879862174971,1.1236861307460593,1.3633838578739594,1.5424417123895806,1.8407650816912935,2.095437542149328,2.3492695883189727,845.3055864078336,1108.6810326652799,22.216863070584314,87.17566184538151,-114.33735249371253,-5.545258047832995,758.1299245624521,1223.0183851589925,27.76212111841731,0.9065121555970325,1.1889579921763935,0.02382553334150407,0.09348784440296752,-0.12261624853893495,-0.005946777008353503,788.2316083689929,1033.8242732543838,20.716808208329223,81.28966997488155,-106.61743717530493,-5.170849146329498,0.04359108856444855,0.06468764530373805,0.3857296661288842,0.1708844937143226,932.4812482532152,0.0,1.0,0.0,1452.8288377188562,38.11599188947936,11.325867691673832,1932.4797371153702,43.95997881158919,12.455800670259675,2673.9778351578543,51.71051957926795,13.879887125386759,4.825846177396604,4.825846177396604,19885.138763206494,19738.106489320282,258.44028670358966,1.0074491580013396,76.94287534208301,76.37395369383069,9.334119916701967,14.582411325977604,27.925434244251242,0.9150079928484751,19.16200013790909,21.18683868758674,9.989609226555373,99.32841624462226,53.82843654292969,10.004698371147985,26.229268759119428,21.909992487919926,73.7079719799572,12.319600638228717,10.881574527249063,59.14493991029255,9.894354444683694,83.0444631430762,3.9071979436832662,12.591997460927459,49.65712872811548,6.463772777543154,83.867269727609,2.3831398766923932,14.169643134099642,41.58602268779452,0.6666038885641443,74.70630539555454,0.7639290619540082,4.24315883335522,24.94140872198696,1.019434093761483,72.75735993760722,0.004014177459824668,1.6081404198343514,21.162430565181634,0.7115145960704303,23.915352830372452,4.054572718819028,0.6925063963054043,3.358545066485936,2.673209390239531,19.625057207327416,1.180228283106791,0.3034551796422276,4.5246796155082505,0.4191880900866624,18.36472014606911,0.03388223862568503,0.3358273993044274,5.890315214093968,0.15658055927385942,16.946132161412187,0.021552676347102524,0.5015746909383331,3.852337454199028,0.04539550736542704,13.101887207080845,0.05823375021557273,0.3890952355976146,0.9221454871119643,0.08515425757274048,10.356544172981748,3.052434109697266E-5,5.191257423302843,21.16406205737773,2.3804370249581246,29.258034915416122,7.505077199804467,2.327664069744706,7.714617181179514,4.728757443714667,27.248625253550102,3.1785634599982044,1.3497331807040014,13.723828907739145,1.6241005955854675,28.435033301946294,0.30308517745725944,1.4652303270510403,11.36983628041166,0.7597278015055795,27.456296209296607,0.18715753541702748,1.865303046268264,8.090324924421484,0.15349235810402437,22.154070187419723,0.19185851109846808,0.8552566125873095,3.2268826913779347,0.27515130815185224,18.919526005518495,3.0040413189341155E-4,18.08736542438877,21.184159063977724,9.342036551192933,91.15606653069966,48.40775199833744,9.340631213160744,24.718647372338314,20.07040093072712,69.18861964326274,11.540211794650663,9.840267743078979,55.11127766663732,9.05633502198705,77.97674655608976,3.4856140150062105,11.356194133967527,45.75576763291706,5.835573569441206,78.6560870938462,2.126617287855759,12.828345870179882,38.05045232792925,0.6219567388864962,69.6887506501212,0.717039695658442,3.8938210967686966,22.551842624749384,0.9619871957615671,67.4604781894223,0.003578110586733509,7.650954916235992,21.166176925518933,3.592887657482121,35.90988903152082,11.865900773181354,3.529028277568959,10.797661421027183,6.695391943298151,33.49621947578224,4.632144185124877,2.3984256494865006,20.617754928393694,2.6677412062442944,36.27800298870982,0.6427059485066673,2.6480069782873366,16.15698473043835,1.3769479019319344,35.60645500406884,0.3947992798953411,3.2249328057767785,12.028181603316318,0.23325136601706237,29.414040542072225,0.28668243486904765,1.2704353106989352,5.580444128947445,0.40578895724545516,26.03719699686153,6.469758821102073E-4,23.140888783783804,21.19810603294869,12.47763008930007,133.62408376947846,76.59379550339149,12.570149022119745,31.947875264451593,29.472743228360894,91.81318674259435,15.315967574140647,15.184106497553888,74.86304741227475,13.29005343505694,103.06606587007649,5.6775765818726995,17.71885766761941,65.48958859500395,9.064572419752736,104.42715846324477,3.460036008499889,19.70873943524061,56.0681583329123,0.8394255416766836,94.69899191343342,0.9417258245628529,5.665350427273622,34.83249271461887,1.2324190415024965,94.04606593924316,0.005846954675585123,12.159789283353634,19.41582985437046,5.7704011181866015,53.046327561358495,24.509439656238776,6.220040074105288,16.361502166959333,11.42558128974516,45.2891170808997,7.560754168468693,4.7234646828068865,32.97178157534111,5.0089709795273425,51.05110106255279,1.5288381550961552,5.36305248363857,26.52826577198966,2.8063703915355713,51.70476531515038,0.9308163689253143,6.224444851874947,22.334416648825194,0.32579138633492294,44.748764788473444,0.4267375835026374,2.1342601853639946,11.538453781649745,0.7834620328579426,40.44871636511424,0.001550318873779486,62.80933485413143,1.1822418205264764,0.5747917740265461,0.972787170213089,0.01831048963929401,0.5302004779417007,0.37697726247674007,0.36817108257884174,64.56636844868446,111.0376542635878,218.28565859217483,0.9591807553196336,1.2753488229972825,58.51241804591154,0.6026067925293798,0.16552895107228655,0.9870423655904248,0.01016533675898253,0.4601693616206884,0.09619096356712128,0.02994622264270986,59.280553789513206,45.04522861590424,110.16233000263892,0.9805635483856373,0.5863065478305195,60.21896500869145,0.8327264772738479,0.3282163147881366,0.9810859476063317,0.013566759988903507,0.4873883754825173,0.18525334770439783,0.11887071156210337,61.37990780075343,70.18408778787052,148.0227068178505,0.9716289214094975,0.7915124347490184,62.70295054224104,1.1678842531374094,0.5646717753000511,0.9731117807456509,0.018124855616000655,0.528406695229779,0.36775569379090517,0.35520554990147996,64.4355065706785,109.29584623733972,215.08214752103808,0.9596676711184764,1.2513679389221641,60.979664556612974,0.9353462313321398,0.4006655038001975,0.9785605835540083,0.015009806311867645,0.499773657645921,0.23446640238739822,0.17773789633211157,62.31567629174531,81.8443084210727,167.01278289161195,0.9678408753310126,0.9119779563654308,63.14239719090623,1.227193037722262,0.6064718215220729,0.9717793784143295,0.01888684846390161,0.5358360340070151,0.40659520548317335,0.41027583174338456,64.97606205015057,116.52625285435958,228.4965489602223,0.9576690676214944,1.352707071233573,62.74242706571408,1.1730051538003603,0.5664508782569287,0.9730241123786689,0.018191236009993353,0.5290707055974909,0.37054888754704,0.3571327517998086,64.48188309777137,109.80214302494099,215.97321921106882,0.9595361685680035,1.2567523449443396 +UMLCN0326,L,benzene,C1=CC=CC=C1,Aromatics,,C6H6,NREL (2014),CFR,PubChem,,14.3,0,1.4033999999999995,1.9695315599999987,30.955799999999996,14.560758000000002,6,6,12,6,6,0,6,0,0,0,0,0.0,0.0,0.0,0.0,0.0,871.68111,938.2272539999997,1010.8697819999995,584.1738029999999,78.738912,3.0481920000000002,0.0,0.0,0.0,2727.603877081561,3229.52110871909,3917.9408069422025,2833.8925682797963,874.9221648086931,93.25123329279079,0.0,0.0,0.0,85.55387999999998,87.948888,130.65467999999998,148.34391600000004,83.01657599999999,20.155392,0.0,0.0,0.0,19.40107742909399,23.41466586,30.09593172000001,24.396909149094,9.348943289094002,1.3338387145469999,0.0,0.0,0.0,1870.2720486854944,1679.5014228174005,2598.236709094801,3327.3595529702948,2028.241198422894,554.7529560727469,0.0,0.0,0.0,30.0,36.0,48.0,42.0,18.0,3.0,0.0,0.0,0.0,72.6400925,78.18560449999997,56.15943233333331,27.817800142857138,6.561576,1.016064,0.0,0.0,0.0,227.3003230901301,269.12675905992415,217.6633781634557,134.94726515618078,72.91018040072443,31.083744430930263,0.0,0.0,0.0,7.129489999999998,7.329073999999999,7.258593333333333,7.063996000000001,6.918047999999999,6.718464,0.0,0.0,0.0,1.6167564524244993,1.951222155,1.6719962066666672,1.1617575785282857,0.7790786074245002,0.44461290484899996,0.0,0.0,0.0,155.85600405712452,139.95845190145005,144.34648383860005,158.44569299858546,169.0200998685745,184.91765202424895,0.0,0.0,0.0,2.5,3.0,2.6666666666666665,2.0,1.5,1.0,0.0,0.0,0.0,0.04576883216409318,5.204170427930421E-18,-0.022884416082046583,-0.011442208041023305,-1.1275702593849246E-17,0.011442208041023291,0.0,0.0,0.0,363.198027,2.1316282072803006E-13,-181.59901349999978,-90.79950675000006,-2.0605739337042905E-13,90.79950674999989,0.0,0.0,0.0,675.3822403176679,1.7053025658242404E-13,-337.6911201588338,-168.84556007941723,-1.9895196601282805E-13,168.8455600794169,0.0,0.0,0.0,0.07114799999999992,8.222589276130066E-16,-0.035573999999999134,-0.017787000000000372,-8.170547571850761E-16,0.017786999999999567,0.0,0.0,0.0,3.019272854547,-6.661338147750939E-16,-1.5096364272735006,-0.7548182136367503,4.440892098500626E-16,0.7548182136367503,0.0,0.0,0.0,16.40073806534698,2.398081733190338E-14,-8.200369032673466,-4.100184516336755,-2.353672812205332E-14,4.100184516336733,0.0,0.0,0.0,3.0,0.0,-1.5,-0.75,0.0,0.75,0.0,0.0,0.0,0.0038140693470077648,4.3368086899420177E-19,-0.001271356449002588,-5.448670495725383E-4,-9.396418828207704E-19,0.003814069347007764,0.0,0.0,0.0,30.266502250000002,1.7763568394002505E-14,-10.088834083333321,-4.3237860357142885,-1.7171449447535753E-14,30.266502249999963,0.0,0.0,0.0,56.28185335980566,1.4210854715202004E-14,-18.76061778660188,-8.040264765686535,-1.6579330501069005E-14,56.28185335980564,0.0,0.0,0.0,0.005928999999999993,6.852157730108388E-17,-0.0019763333333332853,-8.470000000000177E-4,-6.808789643208968E-17,0.005928999999999855,0.0,0.0,0.0,0.25160607121225,-5.551115123125783E-17,-0.08386869040408336,-0.03594372445889287,3.700743415417188E-17,0.2516060712122501,0.0,0.0,0.0,1.3667281721122484,1.9984014443252818E-15,-0.45557605737074813,-0.19524688173032168,-1.96139401017111E-15,1.3667281721122444,0.0,0.0,0.0,0.25,0.0,-0.08333333333333333,-0.03571428571428571,0.0,0.25,0.0,0.0,0.0,1.137055542355137E-16,-0.33333333333333326,-0.142857142857143,-2.4636203417694636E-16,0.9999999999999998,0.0,0.0,0.0,5.869052276763333E-16,-0.3333333333333329,-0.14285714285714293,-5.673417200871221E-16,0.9999999999999987,0.0,0.0,0.0,2.524944341180998E-16,-0.3333333333333332,-0.14285714285714307,-2.945768398044498E-16,0.9999999999999997,0.0,0.0,0.0,1.1557020964932359E-14,-0.3333333333333256,-0.14285714285714599,-1.1483875262622661E-14,0.9999999999999767,0.0,0.0,0.0,-2.2062723273648551E-16,-0.3333333333333335,-0.14285714285714293,1.4708482182432368E-16,1.0000000000000004,0.0,0.0,0.0,1.4621791553742514E-15,-0.33333333333333237,-0.1428571428571432,-1.4351017636080615E-15,0.9999999999999971,0.0,0.0,0.0,0.0,-0.3333333333333333,-0.14285714285714285,0.0,1.0,0.0,0.0,0.0,0.9166666666666666,1.2222222222222223,1.0476190476190477,0.9166666666666666,0.0,0.0,0.0,0.0,0.9166666666666666,1.2222222222222225,1.047619047619048,0.9166666666666666,0.0,0.0,0.0,0.0,0.9166666666666669,1.2222222222222225,1.047619047619048,0.9166666666666669,0.0,0.0,0.0,0.0,0.9166666666666667,1.2222222222222219,1.0476190476190474,0.9166666666666667,0.0,0.0,0.0,0.0,0.9166666666666667,1.2222222222222225,1.047619047619048,0.9166666666666667,0.0,0.0,0.0,0.0,0.9166666666666666,1.222222222222222,1.0476190476190474,0.9166666666666666,0.0,0.0,0.0,0.0,0.9166666666666667,1.2222222222222223,1.0476190476190477,0.9166666666666667,0.0,0.0,0.0,0.0,11.999999999999998,5.999999999999997,8.666666666666664,11.999999999999996,1.9999999999999996,6.009012618906293,-3.552713678800501E-15,6.661338147750939E-16,1.1102230246251565E-16,-20.96702466026943,16.820652584690873,2.8034420974484786,1.693564471158451,11.999999999999998,5.999999999999997,8.666666666666664,11.999999999999996,1.9999999999999996,6.009012618906293,-3.552713678800501E-15,6.661338147750939E-16,1.1102230246251565E-16,-20.96702466026943,16.820652584690873,2.8034420974484786,1.693564471158451,11.999999999999998,5.999999999999997,8.666666666666664,11.999999999999996,1.9999999999999996,6.009012618906293,-3.552713678800501E-15,6.661338147750939E-16,1.1102230246251565E-16,-20.96702466026943,16.820652584690873,2.8034420974484786,1.693564471158451,11.999999999999998,5.999999999999997,8.666666666666664,11.999999999999996,1.9999999999999996,6.009012618906293,-3.552713678800501E-15,6.661338147750939E-16,1.1102230246251565E-16,-20.96702466026943,16.820652584690873,2.8034420974484786,1.693564471158451,11.999999999999998,5.999999999999997,8.666666666666664,11.999999999999996,1.9999999999999996,6.009012618906293,-3.552713678800501E-15,6.661338147750939E-16,1.1102230246251565E-16,-20.96702466026943,16.820652584690873,2.8034420974484786,1.693564471158451,11.999999999999998,5.999999999999997,8.666666666666664,11.999999999999996,1.9999999999999996,6.009012618906293,-3.552713678800501E-15,6.661338147750939E-16,1.1102230246251565E-16,-20.96702466026943,16.820652584690873,2.8034420974484786,1.693564471158451,11.999999999999998,5.999999999999997,8.666666666666664,11.999999999999996,1.9999999999999996,6.009012618906293,-3.552713678800501E-15,6.661338147750939E-16,1.1102230246251565E-16,-20.96702466026943,16.820652584690873,2.8034420974484786,1.693564471158451,0,11.850000000000001,12.150054401635797,-0.21175815206924314,0.08829624956655278,6.093375000000003,6.393429401635799,6.0,12.0,9.0,6.0,0.0,3.0,0.0,0.0,0.0,6.0,6.559241999999999,3.7241945308459092,2.619181913839717,2.619181913839716,0.9414285011440499,0.9414285011440494,0.5773113880847849,0.1907817175440394,0.3105139719294343,1.9428780603492732,1.0822503020169476,1.0822503020169474,0.3105139719294346,0.3105139719294343,0.1907817175440394,0.5773113880847849,0.9414285011440494,3.7379228064229593,2.6458150318986826,2.645815031898682,1.0533366226901497,1.0533366226901495,0.7297826520238876,0.01751916174684628,0.15015625861415693,1.9083584929141284,1.0071675921888017,1.007167592188801,0.15015625861415738,0.15015625861415693,0.01751916174684628,0.7297826520238876,1.0533366226901495,3.7996613221720303,2.7718202154797913,2.7718202154797895,1.5177937868953875,1.5177937868953868,1.3067337123799676,0.5937468474137687,0.3968430827144212,1.8123050283605244,0.7986202314843545,0.798620231484354,0.3968430827144207,0.3968430827144212,0.5937468474137687,1.3067337123799676,1.5177937868953868,3.7481019673847316,2.6659250192640345,2.6659250192640336,1.134811365366186,1.1348113653661858,0.8366884657929876,0.1006650209074282,0.04190290236346202,1.886900963067185,0.9602789912487926,0.9602789912487915,0.04190290236346203,0.04190290236346202,0.1006650209074282,0.8366884657929876,1.1348113653661858,3.8307214564286935,2.8380785876458883,2.838078587645887,1.7214642273785616,1.7214642273785612,1.5419338252565085,0.8264131093165666,0.59431110670779,1.783778745077595,0.7385642758080646,0.7385642758080624,0.5943111067077896,0.59431110670779,0.8264131093165666,1.5419338252565085,1.7214642273785612,3.7565620437456393,2.6828595495473087,2.682859549547307,1.2012599172119682,1.2012599172119678,0.9217248075861563,0.19292769903753482,0.04188532184428217,1.871214550369333,0.9260047886035592,0.9260047886035572,0.041885321844282085,0.04188532184428217,0.19292769903753482,0.9217248075861563,1.2012599172119678,0,0,0,6,0,0,0,0,0,0.0,0.0,0.0,0.125,0.0,0.0,0.0,0.0,0.037037037037037035,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.242640687119285,3.0,2.1213203435596424,1.5,1.0606601717798212,0.75,0.0,0.0,0.7071067811865475,0.5,0.35355339059327373,0.25,0.17677669529663687,0.125,0.0,0.0,3.464101615137755,1.9999999999999998,1.1547005383792517,0.6666666666666667,0.3849001794597505,0.2222222222222222,0.0,0.0,0.5773502691896258,0.3333333333333333,0.1924500897298753,0.11111111111111112,0.06415002990995843,0.037037037037037035,0.0,0.0,7.625483411357624,11.66351056081573,11.176470588235297,11.280000000000003,8.39566347305389,89.31284910179642,0.6354569509464687,0.9719592134013109,0.9313725490196081,0.9400000000000003,0.6996386227544908,7.442737425149701,1.6866,26.441999999999993,20.999999999999993,26.999999999999993,41.999999999999986,6.999999999999998,21.000000000972356,1.1102230246251565E-16,1.850371707708594E-17,-22.042080341806265,4000004.0,666667.3333333334,9.1210835514502,36,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.7,0.0,0.0,0.0,0.0,2.7,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,2.0,0.45,2.0,0.45,2.0,3.588,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.5,0.0,0.0,0.5,0.7,0.43333,0.43333,0.7,0.06667,0.06667,0.0,0.0,0.71429,0.0,0.0,0.0,0.0,0.0,9.0,1.5,3.0,0.5,6.0,1.0,3.0,0.5,0.0,0.0,1.6667,0.27778,5.0,3.3333,0.55555,1.00002,0.16667,3.0,1.99998,0.33333,-0.086,-0.01433,-0.0,-0.0,0.5,6.0,0,0,0,0,0,0,0.0,1.0,1.0,1.0,1.0,1.0,1.0,12.0,12.0,12.0,12.0,12.0,12.0,0.2789429456511298,0.2789429456511298,0.2789429456511298,0.2789429456511298,0.2789429456511298,0.2789429456511298,2.5849625007211565,2.5849625007211565,2.5849625007211565,2.5849625007211565,2.5849625007211565,2.5849625007211565,0.2559580248098155,0.2559580248098155,0.2559580248098155,0.2559580248098155,0.2559580248098155,0.2559580248098155,6.503912516,6.503912516,6.503912516,6.503912516,6.503912516,6.503912516,21.0,21.0,21.0,21.0,21.0,21.0,4.166666666666667,2.2222222222222223,1.3333333333333333,0,6,0,2.12,0.7164000000000005,0.0,0.0,0.0,0.0,9.125465128398087,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.137,0.136,0.5770000000000001,0.656,2.944,6.0,6.0,6.0,6.0,0.0,0.0,0.0,0.0,0.0,36.0,2.302585092994046,2.6741486494265287,3.056356895370426,3.446011397451948,3.840795496139778,0.0,0.0,0.0,0.0,0.0,4.833798667532871,3.4635416666666665,0.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0,3.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,13.000000000000002,18.0,3.0,9.00042006176254,7.216449660063518E-16,1.2027416100105862E-16,-20.91899903566531,22.42419282679312,3.7373654711321866,1.8660842477706872,0.0,81.16653165280017,3.584962500721156,3.2188758248682006,3.8918202981106265,4.574710978503383,5.262690188904886,5.953243334287785,6.645090969505644,7.337587743538596,8.030409562130485,8.723394022000136,65.63782292184975,2.5649493574615367,0.0,3.6109179126442243,0.0,4.890349128221754,0.0,6.248042874508429,0.0,7.627057417018934,7.9211727215870145,78.046950192,6.503912516,11.8125,1.96875,0.0,0.0,0.0,27.0,3.0,2.082,24.0,1.224525311746752,2.1947539413175003,2.990248634022655,4.019699156636017,4.898348670173365,0.0,0.0,0.0,0.0,0.0,103.90262107489612,129.4371991017029,79.35261059623727,25.14298672585859,4.97703574321103,0.0,0.0,0.0,0.0,0.0,348.6236190435811,492.15939612925985,403.50636260457713,283.78042608840565,152.25901819725598,0.0,0.0,0.0,0.0,0.0,9.00075506363137,15.950604864903353,21.167085074548154,27.7641111171597,32.90937920000763,0.0,0.0,0.0,0.0,0.0,2.4927953345855163,3.747977654249039,3.507091430174491,3.0573215075736475,2.1778690312090156,0.0,0.0,0.0,0.0,0.0,169.75656790724238,315.57362901724116,469.9801923291475,682.9434268064546,905.7911348845611,0.0,0.0,0.0,0.0,0.0,3.7971012469870082,5.946218375610808,6.051216873978656,5.9184160940414685,4.898348670173365,0.0,0.0,0.0,0.0,0.0,0.5112592378575481,0.7777605129085493,0.7456118069796207,0.6728806442265184,0.5015909038257527,0.0,0.0,0.0,0.0,0.0,174.54296084263186,64.67670431001129,10.779450718335214,100.76147927583051,-37.33705655903181,-6.222842759838635,73.78148156680135,102.0137608690431,17.002293478173847,0.6339998031543799,0.23492793753047056,0.03915465625507843,0.36600019684562035,-0.13562097488498853,-0.022603495814164758,48.052452111399454,17.805783868775,2.967630644795833,27.740082637540564,-10.279057451655614,-1.7131762419426022,0.16666666666666669,0.16666666666666669,5.596878212064115,2.9142417019018807,275.3044401184623,0.0,1.0,0.0,476.38274635324797,21.8261940418674,7.8100175166721515,535.7788366056071,23.146896910938345,8.121978801215153,694.3401308072678,26.350334548298772,8.855044655196956,1.4194047438975452,1.0784101581365475,167.16677708365117,86.32704913701173,80.84022103433782,1.9364356682496673,2.067866402946191,1.0678725024804585,2.9113605279006025,3.7853889834970476,4.922407598303984,0.30037035025037956,2.163472944254799,0.8736779376295432,3.050218658259068,4.8286023515913765,0.001325092339746528,1.0726941777125416,0.16619733727612251,0.017045900247860714,1.0969426629767276,3.3343499578672686E-15,3.7137298954192055E-51,8.182653394950888E-109,3.479815461698147E-188,2.854318075308182E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.18167490048699633,0.8736772676344589,0.25634525627364996,0.64478820437513,5.687137609272421E-4,0.0900237891211591,0.010588676311822441,1.2005566920857857E-4,0.007725856867174797,2.348409938733449E-17,2.615610330762158E-53,5.7631096917627775E-111,2.4508624824843775E-190,2.0103195588527053E-291,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5862021316550388,0.8736774043947394,0.826634369221136,0.9243683535768082,7.231067487784487E-4,0.2906077652219405,0.03639495421021167,0.0012510726365608901,0.08050938522291604,2.4472242195182546E-16,2.7256676292706813E-52,6.005604636909627E-110,2.553987669239366E-189,2.0949079767772152E-290,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0421486880955326,0.8736778966129242,2.879179726444952,4.369259528937287,0.0012787873831955371,1.0125358006667544,0.1545637796202403,0.015187590234254963,0.9773561638584518,2.970845782348683E-15,3.3088664765246434E-51,7.290596858153385E-109,3.1004529273676205E-188,2.543146017262918E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8638973940101445,0.8736774982763846,1.2181199702820604,1.2868501871253715,8.29092696385834E-4,0.42830237655058595,0.05587884247368288,0.0027174969432276676,0.17487714290181808,5.315698019113295E-16,5.9205143125494134E-52,1.3044975780062555E-109,5.5476024983472955E-189,4.550420061048361E-290,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6126820561770674,0.8736780894956212,3.683498842000447,6.760074851829099,0.0014965387539807474,1.2954335703361246,0.21166385371858293,0.024859843510988622,1.5997877815547454,4.862836046095881E-15,5.416126030292136E-51,1.1933630957899587E-108,5.07498381235637E-188,4.162754659534803E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0817962968088717,0.8736775719424144,1.525306642310505,1.6684996832299737,9.122565997185794E-4,0.5363470888562708,0.07217542775676145,0.0042614750619651785,0.2742356657441819,8.335874894668172E-16,9.284324738548014E-52,2.045663348737722E-109,8.699538654245368E-189,7.135795188270454E-290,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0014779866059556,1.9067970439920854,1.0991445032804137E-5,0.5121114410044314,0.48788574665149476,0.5285055698581788,0.5159161333782236,0.38944227343278226,3.908286022043074,3.816455266065639,7.724783235994824,0.4999957814838893,1.4338639766691845,1.105975761515722,1.035678097047413,3.157933614269747E-6,0.5164112427884648,0.48358728268335915,0.16137738002957117,0.15220248835518604,0.03214958359489472,2.141657016496749,1.1454416352678767,3.287102268971911,0.499997788207736,0.34572945197965194,1.3936283625144243,1.315499097053681,5.674215303170439E-6,0.5144185588871998,0.4855793466364409,0.2562382729928518,0.24555727104334324,0.10379227689826583,2.7091331337834084,1.8333322246886148,4.542475761106564,0.49999685828546103,0.6055878209344608,1.970909352008273,1.8770608487515892,1.0724043065530963E-5,0.5121931190730141,0.487804093999692,0.5124851905836375,0.499950439287547,0.37072454219012796,3.8479809248029277,3.6995580468912417,7.547578645471452,0.49999581960905926,1.3831601720613125,1.5465905899047216,1.4642964448119309,7.012270850426109E-6,0.5136649001156768,0.48633277091799587,0.3155732272856931,0.30424914170694345,0.15851284146029945,3.010894046987503,2.2646882155324586,5.275598142979069,0.49999650655050903,0.778335210452936,2.1011391311455263,2.003744200099211,1.1863239902775066E-5,0.5118618214585914,0.48813528851880383,0.5824481687831279,0.5697108044722886,0.4536677256579131,4.10489519448464,4.210194044850075,8.315139185299,0.4999956649660927,1.6058266989133296,1.9672979759959708,1.8735478167143058,1.0692452216279958E-5,0.5122029379633906,0.4877942781647679,0.5106088291798531,0.4980808271344465,0.3685436756035705,3.840856485162493,3.6858678958138325,7.5267637915035595,0.49999582419223776,1.37723333191787 +UMLCN0327,L,toluene,CC1=CC=CC=C1,Aromatics,,C7H8,NREL (2014),IQT,PubChem,,6,0,1.8498000000000006,3.421760040000002,35.23779999999999,17.654344,6,6,15,7,8,0,7,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1017.977359,1106.7055509999998,1314.5533039999991,943.3124449999996,311.81690500000025,56.556864,3.0481920000000002,0.0,0.0,3213.288267692752,3882.5112432094566,4972.962460104169,4307.178581139705,2225.930358875376,707.6164209295163,93.25123329279079,0.0,0.0,106.53132399999997,109.724668,173.00873600000008,192.6938120000001,167.25437200000005,82.21823999999998,20.155392,0.0,0.0,23.07920323879199,28.43065448,38.121114744547015,35.76674919939603,21.711105078489986,8.011080478792003,1.3338387145469999,0.0,0.0,2366.9017088239925,2112.5408743332005,3559.700925060448,4129.848247379197,3966.563996600191,2091.831407045592,554.7529560727469,0.0,0.0,34.77777777777778,42.0,58.00000000000001,58.66666666666667,39.666666666666664,16.0,3.0,0.0,0.0,67.86515726666667,73.78037006666665,54.7730543333333,34.937497962962944,12.992371041666678,4.7130719999999995,1.016064,0.0,0.0,214.21921784618345,258.83408288063043,207.20676917100704,159.5251326348039,92.747098286474,58.96803507745969,31.083744430930263,0.0,0.0,7.102088266666665,7.314977866666666,7.208697333333337,7.136807851851855,6.968932166666669,6.851519999999998,6.718464,0.0,0.0,1.5386135492527993,1.8953769653333334,1.5883797810227922,1.3246944147924455,0.9046293782704161,0.6675900398993336,0.44461290484899996,0.0,0.0,157.79344725493283,140.83605828888003,148.32087187751867,152.95734249552584,165.2734998583413,174.319283920466,184.91765202424895,0.0,0.0,2.3185185185185184,2.8,2.416666666666667,2.17283950617284,1.6527777777777777,1.3333333333333333,1.0,0.0,0.0,0.043872185635945186,7.570518929657013E-4,-0.012880024683643984,-0.02024884007273477,-0.005060112039438956,0.010353840188237614,0.005141991896641801,0.0,0.0,451.9797669333334,3.055333763768431E-13,-37.126909426666415,-264.7310063466664,-93.6243802933335,90.3959533866664,79.09645921333322,0.0,0.0,840.4756768397644,5.6843418860808015E-14,-69.03907345469489,-492.2786107204337,-174.09853305966584,168.09513536795288,147.0832434469588,0.0,0.0,0.08853973333333326,9.454242944073599E-16,-0.007272906666665887,-0.051858986666666274,-0.018340373333334183,0.017707946666665787,0.015494453333332985,0.0,0.0,3.7573173301029317,1.1102230246251565E-16,-0.30863678068702677,-2.2007144362031474,-0.7783014469498939,0.7514634660205868,0.6575305327680132,0.0,0.0,20.409807370209574,4.707345624410664E-14,-1.6765198911243184,-11.95431574540845,-4.227745812400602,4.081961474041873,3.571716289786659,0.0,0.0,3.481481481481482,-0.3703703703703699,0.22222222222222254,-2.0,-0.7777777777777786,0.5925925925925926,0.5925925925925926,0.0,0.0,0.0029248123757296793,5.047012619771342E-5,-5.366676951518327E-4,-7.499570397309174E-4,-2.1083800164328984E-4,8.628200156864679E-4,0.0017139972988806003,0.0,0.0,30.131984462222228,2.0368891758456206E-14,-1.546954559444434,-9.80485208691357,-3.9010158455555626,7.532996115555534,26.365486404444407,0.0,0.0,56.03171178931763,3.789561257387201E-15,-2.876628060612287,-18.23254113779384,-7.254105544152743,14.007927947329406,49.02774781565293,0.0,0.0,0.005902648888888884,6.3028286293824E-17,-3.030377777777453E-4,-0.0019207032098765286,-7.641822222222576E-4,0.0014756622222221489,0.005164817777777661,0.0,0.0,0.2504878220068621,7.401486830834377E-18,-0.012859865861959448,-0.08150794208159805,-0.03242922695624558,0.06262195550171556,0.2191768442560044,0.0,0.0,1.3606538246806383,3.1382304162737757E-15,-0.06985499546351327,-0.4427524350151278,-0.17615607551669177,0.3401634561701561,1.190572096595553,0.0,0.0,0.23209876543209879,-0.024691358024691325,0.009259259259259273,-0.07407407407407407,-0.03240740740740744,0.04938271604938271,0.19753086419753085,0.0,0.0,0.017255850876630056,-0.18348790493542183,-0.2564120167003256,-0.07208599204271698,0.2950001247417494,0.5860195727778927,0.0,0.0,6.759890568772052E-16,-0.05133928571428536,-0.325396825396825,-0.12946428571428592,0.24999999999999922,0.8749999999999987,0.0,0.0,6.763243771020531E-17,-0.05133928571428567,-0.3253968253968256,-0.12946428571428598,0.24999999999999997,0.875,0.0,0.0,1.0677966363960445E-14,-0.05133928571428025,-0.3253968253968232,-0.1294642857142918,0.24999999999998776,0.8749999999999809,0.0,0.0,2.954829009863647E-17,-0.051339285714285754,-0.32539682539682563,-0.1294642857142859,0.25000000000000017,0.8750000000000002,0.0,0.0,2.306413548655813E-15,-0.051339285714284505,-0.32539682539682496,-0.12946428571428717,0.24999999999999742,0.874999999999996,0.0,0.0,-0.1063829787234041,0.039893617021276646,-0.3191489361702127,-0.1396276595744682,0.21276595744680848,0.8510638297872339,0.0,0.0,0.9443846826140277,1.0978958469549298,1.2485927825328211,0.9847991440642742,0.5486704355438187,0.18449987380556573,0.0,0.0,0.9999999999999999,1.0156250000000002,1.2500000000000004,1.0156250000000002,0.6249999999999999,0.0,0.0,0.0,1.0000000000000002,1.0156250000000002,1.2499999999999998,1.0156250000000002,0.6250000000000001,0.0,0.0,0.0,0.9999999999999997,1.0156249999999996,1.2499999999999993,1.0156249999999996,0.6249999999999998,0.0,0.0,0.0,1.0000000000000007,1.0156250000000007,1.2500000000000009,1.0156250000000007,0.6250000000000002,0.0,0.0,0.0,1.0,1.0156250000000002,1.2500000000000004,1.0156250000000002,0.6250000000000002,0.0,0.0,0.0,1.1170212765957448,0.875,1.2659574468085106,1.0425531914893618,0.6702127659574468,0.0,0.0,0.0,17.59312982874191,8.79656491437095,12.876483663165125,17.5931298287419,2.5133042612488437,8.797148846576722,-5.329070518200751E-15,0.12221263544579548,0.017458947920827927,-1.4713949865089517,38.555190783339015,5.5078843976198595,2.5564635191305167,17.59312982874191,8.79656491437095,12.876483663165125,17.5931298287419,2.5133042612488437,8.797148846576722,-5.329070518200751E-15,0.12221263544579548,0.017458947920827927,-1.4713949865089517,38.555190783339015,5.5078843976198595,2.5564635191305167,17.59312982874191,8.79656491437095,12.876483663165125,17.5931298287419,2.5133042612488437,8.797148846576722,-5.329070518200751E-15,0.12221263544579548,0.017458947920827927,-1.4713949865089517,38.555190783339015,5.5078843976198595,2.5564635191305167,17.59312982874191,8.79656491437095,12.876483663165125,17.5931298287419,2.5133042612488437,8.797148846576722,-5.329070518200751E-15,0.12221263544579548,0.017458947920827927,-1.4713949865089517,38.555190783339015,5.5078843976198595,2.5564635191305167,17.59312982874191,8.79656491437095,12.876483663165125,17.5931298287419,2.5133042612488437,8.797148846576722,-5.329070518200751E-15,0.12221263544579548,0.017458947920827927,-1.4713949865089517,38.555190783339015,5.5078843976198595,2.5564635191305167,17.59312982874191,8.79656491437095,12.876483663165125,17.5931298287419,2.5133042612488437,8.797148846576722,-5.329070518200751E-15,0.12221263544579548,0.017458947920827927,-1.4713949865089517,38.555190783339015,5.5078843976198595,2.5564635191305167,19.08329982745063,9.35030992287152,13.706341916173852,19.07921819479757,2.7256025992567956,9.350652786540037,-0.028571428571430246,0.1886531713008486,0.026950453042978374,-1.1674915155490913,74.42522833841485,10.632175476916407,3.0168564824516473,0,11.85,12.150068461048527,-0.21017962486970565,0.0899037918013994,5.768181322170351,7.500882457492526,7.0,15.0,12.0,9.0,1.0,3.0,0.0,0.0,0.0,6.0,8.745655999999999,3.76541602078832,2.875673982214788,2.619181913839713,2.0730008901063335,0.9414285011440501,0.758222679128022,0.307866889001589,0.08392307051869152,1.9683426764951668,1.4120361418599916,1.082250302016949,0.8311483101291761,0.310513971929435,0.2329610506799499,0.08392307051869102,0.08392307051869152,3.7777378781621103,2.906585377943842,2.6458150318986857,2.1322528268669916,1.0533366226901497,0.8827413701799575,0.44552586326836485,0.27091390189293746,1.9352943702316265,1.3278276192894358,1.0071675921888017,0.7328461774374401,0.15015625861415696,0.06521954189101042,0.27091390189293674,0.27091390189293746,3.833794233402096,3.0545627074906356,2.7718202154797913,2.3772810511644247,1.5177937868953872,1.3922741425785472,0.9568632645768952,0.9439184268026223,1.8454104983860615,1.0861332601182305,0.7986202314843528,0.4231500897620856,0.39684308271441954,0.5155921562642595,0.9439184268026222,0.9439184268026223,3.7869067610243117,2.9300476733117455,2.6659250192640322,2.1751053809673837,1.1348113653661849,0.9730744166031913,0.5414782949107112,0.39927724550898214,1.914955465756608,1.274383396960249,0.9602789912487932,0.6687475842704991,0.041902902363462176,0.04858290220593787,0.3992772455089817,0.39927724550898214,3.8624171119890356,3.1325079812787355,2.8380785876458856,2.4875600498671577,1.7214642273785614,1.6113615443473384,1.207644822962088,1.2076448229620875,1.819269483557945,1.015368102401733,0.7385642758080648,0.31764450810955136,0.5943111067077904,0.7294367683764265,1.1595779300588815,1.2076448229620875,3.7900120531196415,2.94625592053957,2.7051424250036837,2.218788872242332,1.217490681237599,1.0550137915866924,0.5924277461408322,0.5121951219512201,1.905765741194268,1.2285746742312182,0.9056501867755283,0.6168458305635452,0.05618781224156394,0.14868786235996148,0.5121951219512193,0.5121951219512201,0,0,0,5,1,1,0,0,0,0.0,0.0,0.0,0.10206207261596577,0.10206207261596577,0.0,0.0,0.0,0.032075014954979206,0.032075014954979206,0.2886751345948129,0.0,0.0,0.0,0.16666666666666666,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.19245008972987526,0.16666666666666666,0.12830005981991682,5.112884175122364,3.393846850117352,2.7431821564919865,1.893846850117352,1.3067128222475324,0.9010475702906074,0.20412414523193154,0.0,0.7304120250174806,0.48483526430247886,0.3428977695614983,0.236730856264669,0.16333910278094155,0.11263094628632593,0.10206207261596577,0.0,4.386751345948129,2.410683602522959,1.654700538379252,0.940455735015306,0.5343778974176115,0.30356120084098637,0.06415002990995841,0.0,0.6266787637068756,0.3443833717889942,0.2068375672974065,0.11755696687691325,0.06679723717720144,0.037945150105123296,0.032075014954979206,0.0,9.1673112151435,14.551347414420974,13.90196078431373,14.040000000000004,10.194217964071854,112.34110419161678,0.6111540810095666,0.970089827628065,0.9267973856209153,0.9360000000000003,0.6796145309381235,7.489406946107786,1.71462,30.08199999999999,25.811642861587288,34.91599912277318,51.623285723174575,7.374755103310654,25.811642861597285,0.0633099150090713,0.00904427357272447,-1.9317993288185376,26.809138241687002,3.8298768916695716,2.3021199659948364,45,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.583333333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1531944444444444,0.0,0.0,0.0,0.0,2.1531944444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0833333333333335,0.0,0.0,0.0,0.0,10.261574074074074,0.0,0.0,0.0,0.0,1.3217592592592595,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3217592592592595,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4222222222222222,0.0,0.0,0.0,0.0,0.4222222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0833333333333335,0.0,0.0,0.0,0.0,2.0208333333333335,0.0,0.0,0.0,0.0,1.3217592592592595,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0833333333333335,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.44,0.0,0.0,0.0,0.0,0.44,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0833333333333335,0.0,0.0,0.0,0.0,2.0833333333333335,0.0,0.0,0.0,0.0,1.3217592592592595,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.666666666666668,1.9523809523809526,0.44,2.0833333333333335,0.1875,1.3217592592592595,4.2325625,0.34490740740740733,0.08333333333333331,0.6898148148148147,0.34490740740740733,0.08333333333333331,0.6898148148148147,3.5,0.5,0.0,0.0,0.48667,0.7,0.43333,0.43333,0.7,0.05333,0.05333,-0.0,0.0,0.71429,0.0,0.0,0.14286,0.14286,0.0,9.5,1.35714,3.5,0.5,6.0,0.85714,2.5,0.35714,0.0,0.0,2.78594,0.39799,6.62679,3.84085,0.54869,1.35326,0.19332,3.39384,2.04058,0.29151,0.02016,0.00288,0.10616,0.01517,0.4,7.0,0,0,0,0,0,0,0.14285714285714285,0.9967916319816367,2.0419460322060456,2.365596230357602,2.8729055953200557,3.006238928653389,2.872905595320056,14.95187447972455,30.629190483090685,35.48394345536403,43.093583929800836,45.093583929800836,43.09358392980084,0.2551368172689722,0.5226524731716993,0.6054933386198771,0.7353432416431885,0.7694709782844973,0.7353432416431886,2.910098963626882,1.864944563402473,1.5412943652509168,1.033985000288463,0.9006516669551297,1.0339850002884625,0.23904305991998945,0.489684114582341,0.5672994669063303,0.6889585770310886,0.7209335725735062,0.6889585770310888,6.644859528439603,13.591349368167265,17.47515174598594,20.005244519025613,18.12080749389646,17.986430822963122,25.42029907619427,23.00989850849939,20.17023959585596,17.55180316003792,19.085184372604676,19.339436452019143,5.142857142857143,2.34375,1.5,0,6,0,2.23,0.8573000000000006,0.0,1.8505358624357668,1.0,0.0,6.083643418932058,3.041821709466029,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.13299999999999998,0.124,0.553,0.664,3.42,8.0,8.0,8.0,8.0,2.0,0.0,0.0,0.0,0.0,48.0,2.3978952727983707,2.8622008809294686,3.248434627109745,3.6408702349275757,4.0375537278753555,2.7842393394597567,0.0,0.0,0.0,0.0,5.119489699008338,3.4635416666666665,0.25,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.14285714285714285,0,3.0,4.0,0.3333333333333333,1.0,0.44444444444444464,0.1875,0.1111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.14285714285714285,0.05555555555555558,0.0375,0.1111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.3470238095238095,12.17044963408896,17.878314744586095,24.340899268177914,3.4772713240254167,12.170468520160025,0.011449771148558163,0.0016356815926511661,-3.128849875344984,28.150736082299947,4.02153372604285,2.3363014519710363,0.0,98.46251627866684,3.807354922057604,3.4339872044851463,4.143134726391533,4.890349128221754,5.616771097666572,6.368187186350492,7.099201743553092,7.851271997109883,8.583542571957771,9.335650562941629,71.32209621867786,2.70805020110221,0.0,3.8501476017100584,0.0,5.209486152841421,0.0,6.652863029353347,0.0,8.12415060330663,8.388905171114706,92.062600256,6.137506683733333,13.676825320436386,1.9538321886337695,0.0,0.0,0.0,42.0,5.0,2.4739999999999998,30.0,1.2286202493974014,2.169154658081617,3.027831434190232,3.853973213515809,4.915824512774887,5.732538453621932,0.0,0.0,0.0,0.0,99.3260336653169,128.06214710621182,108.34844737709051,53.40161996137167,22.78420042040288,5.8246259513409155,0.0,0.0,0.0,0.0,338.28458519192924,473.53412372147153,493.9717822195442,373.1626645842853,286.9769562647459,178.1887602328643,0.0,0.0,0.0,0.0,9.015098242105097,15.68185142720332,21.64853859159286,26.91873561465425,33.66703409906946,38.513853229274616,0.0,0.0,0.0,0.0,2.4387092987204126,3.5851898489562495,4.088898066063601,3.6012670007001133,3.258569140650884,2.5487605740234414,0.0,0.0,0.0,0.0,171.30521518234065,318.6294216301322,460.0733267879784,632.2284800529832,858.0250833225426,1060.0475509824869,0.0,0.0,0.0,0.0,3.548368201416551,5.411829213538425,6.690545286466671,6.53551459506668,6.519770920487535,5.732538453621932,0.0,0.0,0.0,0.0,0.5009528902860384,0.7437486092973559,0.8615497580109349,0.7791028574608868,0.7240834558094088,0.5870119376508859,0.0,0.0,0.0,0.0,208.21271830809263,81.7424226698857,10.126599257151096,86.9869699366252,-34.15029456947391,-4.981305311710721,121.22574837146743,115.8927172393596,15.107904568861816,0.7053283814293402,0.27690551828131327,0.03430423425364947,0.2946716185706599,-0.11568540188011184,-0.016874358307523905,61.464329533134205,24.130337688518214,2.9893689436901947,25.678526406644405,-10.081156310373977,-1.470479775068762,0.15797618534881033,0.15726784115780973,4.078381182849749,2.126720454606185,295.19968824471783,0.0,1.0,0.0,540.6395164063804,23.251656207814108,8.146466238256696,619.1973665287093,24.883676708410864,8.523337786319898,835.3178833542045,28.901866433747916,9.417824498985913,1.6257805227968365,1.6257805227968365,271.59032675390847,186.8193823156633,88.14246262908023,1.4537588305211833,3.0812654724296817,2.1195162551996507,3.353501576173444,3.7853895623559457,5.736871497743987,0.5155300143463916,2.6396157220977483,1.8728395108364408,3.296951734841278,6.216241405142334,0.015703019230458574,3.157315436703254,2.2977769202265956,2.688998164926236,0.825492882560919,0.3756943941956385,0.002381321910023465,8.99235488329243E-26,7.245768018238514E-70,1.2178280765529348E-135,4.165799021686812E-223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22163426442603373,1.8727781661572351,0.26472636264026594,2.197550667844576,0.001775230680772358,0.20191011586815108,0.22530330146152017,0.18376402615792725,0.005841898016461001,0.003324209675411796,1.677184492176043E-5,6.333389070549039E-28,5.103253660474247E-72,8.577262719222344E-138,2.934006312748538E-225,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7151958294722698,1.8727824601067402,0.8618111799608559,2.581673168467351,0.004617971253893209,0.5278124267523977,0.645135184318422,0.6207605617182751,0.06065814690720977,0.029316175717399053,1.7477555524514853E-4,6.599879718376127E-27,5.31798377713955E-71,8.938169063861384E-137,3.0574607909597343E-224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.49158862989153,1.8728328446334526,3.1035887786013454,5.81591472637401,0.01485029287446132,2.8782672417998225,2.1697680424434296,2.509318057579635,0.7355184964546654,0.3352038970639683,0.0021217149496007824,8.012026306770571E-26,6.455848854758321E-70,1.0850628909891759E-135,3.71165192918337E-223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.054010370827524,1.872787850774781,1.2781809920069407,2.974871486644752,0.006569488266683627,0.8338877515987468,0.9342879935629491,0.9428285087787027,0.13168898415835473,0.06200984725128244,3.79635860660512E-4,1.433582066798285E-26,1.1551371388185332E-70,1.941489758409662E-136,6.641213396139323E-224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.187693416826004,1.8728674976960318,4.021667164749759,7.873673000317046,0.018860368675672392,4.301913645476205,2.7730232130396444,3.384147424034,1.2038128377406287,0.5457029849089414,0.0034729342053906173,1.3114504481626297E-25,1.0567271685925887E-69,1.776087796254339E-135,6.075426364785909E-223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3850296159886808,1.7316089894557625,1.5988083885202131,3.496679939148366,0.008476251183580199,1.1649049982841577,1.2182008756093217,1.2677852692189286,0.21665812648689378,0.10087526310397132,6.247251411780775E-4,2.3590889372587513E-26,1.9008826270334234E-70,3.194896976560644E-136,1.0928717243092706E-223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.276735353119205,1.6908291129596695,0.11149957918418618,0.645145507896326,0.33290171139633584,0.5646060178327124,0.46726294813494007,0.13335342639032788,5.079064045263061,6.094280878056246,11.791097139484341,0.4677182618444889,1.1652223923579803,2.0578052991852096,0.9390278238955532,0.018298640005124045,0.6824926606454884,0.3114384039172104,0.22267631054906023,0.14410585390296815,0.003591677143460558,3.015131763085887,1.9871744025693117,5.037665294394884,0.5237389909682327,0.3703738415954889,2.464919506085556,1.1901245213390217,0.049427123809201445,0.6653903905459249,0.3212670507482962,0.3194991945056141,0.23148616506673494,0.026205322533321713,3.704471151233779,3.114219460990887,6.963688102255079,0.49808558581888723,0.5771906821056708,3.237395042834468,1.6665651621149022,0.10849157079372995,0.645870561488748,0.33248502662508556,0.5511302140599396,0.4539475330346267,0.1262553409130625,5.0124517757431,5.927368140136306,11.525167720223141,0.46880584223312194,1.1313330880076287,2.6752280729520965,1.3198368618027154,0.06550758459046735,0.658830265980189,0.32503713590011785,0.3763443801341359,0.2846999117367217,0.04603007256033702,4.060572519345279,3.7925716785694816,8.084442610975893,0.48824539897028346,0.7070743644311946,3.4039498874261773,1.7692913012614062,0.12122655803996873,0.6429257954267675,0.33417736888754945,0.6092968179286479,0.5116385162913695,0.15763517779595587,5.294467746727553,6.64971314896807,12.674277409388697,0.46565474647147553,1.2785705120159732,3.235853692007202,1.6655399467326357,0.10822025230992893,0.6459287606552703,0.3324687257252118,0.5506056036757941,0.45338845474678907,0.1256246489434004,5.009613891049766,5.919873642074983,11.512734477792348,0.46889314098290535,1.1296187073659836 +UMLCN0328,L,ethyl benzene,CCC1=CC=CC=C1,Aromatics,,C8H10,NREL (2014),IQT,PubChem,,6.3,0,1.5146999999999997,2.2943160899999993,40.0862,20.74792999999999,6,6,18,8,10,0,8,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1164.2736079999988,1275.1838479999997,1508.2618409999989,1250.0441589999984,670.9555469999998,289.63485700000035,56.556864,3.0481920000000002,0.0,3698.972658303943,4535.501377699823,5886.509571766503,5455.45146759446,3699.2163717352882,2058.6246149961976,707.6164209295163,93.25123329279079,0.0,127.50876799999996,131.500448,215.73824400000012,255.20326000000023,211.60426800000016,166.45603600000004,82.21823999999998,20.155392,0.0,26.757329048489986,33.4466431,45.80880488939602,45.12577093849005,33.08094512879202,20.373242268187987,8.011080478792003,1.3338387145469999,0.0,2863.5313689624904,2545.5803258490005,4483.903124026297,5646.065419417591,4769.052691009093,4030.154205222889,2091.831407045592,554.7529560727469,0.0,39.02777777777778,47.166666666666664,67.16666666666667,70.66666666666667,55.66666666666667,37.5,16.0,3.0,0.0,64.68186711111105,70.84354711111109,50.275394699999964,34.723448861111066,22.365184899999992,12.068119041666682,4.7130719999999995,1.016064,0.0,205.4984810168857,251.97229876110129,196.21698572555007,151.54031854429056,123.30721239117628,85.77602562484157,58.96803507745969,31.083744430930263,0.0,7.083820444444442,7.305580444444445,7.191274800000004,7.088979444444451,7.053475600000005,6.935668166666669,6.851519999999998,6.718464,0.0,1.486518280471666,1.858146838888889,1.5269601629798675,1.2534936371802792,1.1026981709597339,0.8488850945078328,0.6675900398993336,0.44461290484899996,0.0,159.08507605347168,141.42112921383335,149.46343746754323,156.83515053937754,158.96842303363644,167.92309188428703,174.319283920466,184.91765202424895,0.0,2.16820987654321,2.6203703703703702,2.238888888888889,1.962962962962963,1.8555555555555556,1.5625,1.3333333333333333,1.0,0.0,0.047887470348391095,-0.001151418478483721,-0.015501769788516468,-0.009323014180348827,-0.012553397716112368,0.005902742046756098,0.004368537572238874,0.004314585370270861,0.0,538.0711511111111,3.126388037344441E-13,-76.22674640740716,-67.25889388888884,-264.5516492962964,-4.483926259259505,71.74282014814793,71.74282014814806,0.0,1000.5662819521006,-7.105427357601002E-14,-141.7468899432144,-125.07078524401275,-491.94508862644943,-8.338052349601028,133.4088375936134,133.40883759361344,0.0,0.10540444444444434,1.5230872119076366E-15,-0.014932296296295014,-0.013175555555555378,-0.05182385185185204,-8.783703703716342E-4,0.01405392592592489,0.014053925925925505,0.0,4.47299682155111,4.052314039881821E-15,-0.6336745497197374,-0.5591246026938888,-2.1992234372626305,-0.03727497351292941,0.5963995762068122,0.5963995762068137,0.0,24.297389726439967,4.440892098500626E-14,-3.442130211245626,-3.0371737158049994,-11.946216615499676,-0.2024782477203786,3.239651963525299,3.2396519635253176,0.0,3.8410493827160503,-0.1373456790123455,-0.255144032921811,-0.17283950617283914,-1.9681069958847734,-0.1723251028806578,0.309670781893004,0.4755658436213992,0.0,0.0026604150193550607,-6.396769324909561E-5,-5.167256596172156E-4,-2.5897261612080075E-4,-4.184465905370789E-4,2.459475852815041E-4,3.6404479768657283E-4,0.0014381951234236203,0.0,29.892841728395062,1.736882242969134E-14,-2.540891546913572,-1.8683026080246898,-8.818388309876546,-0.18683026080247936,5.978568345678994,23.91427338271602,0.0,55.587015664005584,-3.947459643111668E-15,-4.72489633144048,-3.4741884790003543,-16.39816962088165,-0.34741884790004285,11.117403132801117,44.46961253120448,0.0,0.005855802469135796,8.461595621709093E-17,-4.977432098765004E-4,-3.659876543209827E-4,-0.001727461728395068,-3.659876543215143E-5,0.0011711604938270742,0.004684641975308501,0.0,0.2484998234195061,2.251285577712123E-16,-0.02112248499065791,-0.015531238963719132,-0.07330744790875435,-0.0015531238963720588,0.04969996468390101,0.19879985873560457,0.0,1.3498549848022203,2.4671622769447922E-15,-0.11473767370818753,-0.08436593655013887,-0.39820722051665586,-0.008436593655015775,0.2699709969604416,1.0798839878417725,0.0,0.2133916323731139,-0.007630315500685862,-0.0085048010973937,-0.004801097393689976,-0.06560356652949245,-0.007180212620027409,0.025805898491083668,0.15852194787379972,0.0,-0.024044253540788797,-0.19422746295518978,-0.09734293869066378,-0.1572862081640627,0.0924470744196621,0.13683759678022897,0.5405905142470095,0.0,5.8103617539957E-16,-0.08499999999999973,-0.06249999999999995,-0.2950000000000001,-0.006250000000000342,0.19999999999999937,0.7999999999999989,0.0,-7.101405959571558E-17,-0.08500000000000009,-0.0625000000000001,-0.29500000000000004,-0.006250000000000143,0.2,0.8000000000000003,0.0,1.4449933491280932E-14,-0.08499999999999279,-0.06249999999999922,-0.29500000000000137,-0.006250000000009,0.19999999999998547,0.7999999999999768,0.0,9.059505744241938E-16,-0.08499999999999956,-0.0625,-0.2950000000000002,-0.006250000000000586,0.19999999999999915,0.7999999999999987,0.0,1.8277239442178146E-15,-0.08499999999999912,-0.06250000000000007,-0.29500000000000065,-0.006250000000001406,0.19999999999999815,0.7999999999999973,0.0,-0.03575733226195254,-0.03985536359983933,-0.022498995580554387,-0.3074327038971474,-0.033648051426275485,0.12093210124548005,0.7428686219365205,0.0,1.0379894526473392,1.092800598451021,1.0347971309133575,1.1725577599020893,0.827777597425214,0.7039980973007977,0.2627009610196606,0.0,1.0625000000000002,1.0837500000000007,1.0093750000000006,1.2112500000000008,0.8765625000000004,0.6375000000000001,0.0,0.0,1.0625,1.0837499999999998,1.0093749999999997,1.2112499999999997,0.8765625000000002,0.6375000000000002,0.0,0.0,1.0624999999999996,1.0837499999999993,1.0093749999999995,1.2112499999999993,0.8765624999999998,0.6375,0.0,0.0,1.0625000000000004,1.0837500000000004,1.0093750000000004,1.2112500000000006,0.8765625000000005,0.6375000000000002,0.0,0.0,1.0625,1.0837500000000004,1.0093750000000006,1.2112500000000006,0.8765625000000001,0.6375000000000002,0.0,0.0,1.1064684612294091,0.9855765367617515,0.9425472077139412,1.2683406990759338,0.9451084773001203,0.737645640819606,0.0,0.0,25.536269676952834,12.768134838476414,19.28700652670988,25.536269676952834,3.1920337096191043,12.768146777845176,-5.329070518200751E-15,0.2592582707086129,0.03240728383857661,-1.0799444239498797,54.18975052352141,6.773718815440176,3.1939934286647755,25.536269676952834,12.768134838476414,19.28700652670988,25.536269676952834,3.1920337096191043,12.768146777845176,-5.329070518200751E-15,0.2592582707086129,0.03240728383857661,-1.0799444239498797,54.18975052352141,6.773718815440176,3.1939934286647755,25.536269676952834,12.768134838476414,19.28700652670988,25.536269676952834,3.1920337096191043,12.768146777845176,-5.329070518200751E-15,0.2592582707086129,0.03240728383857661,-1.0799444239498797,54.18975052352141,6.773718815440176,3.1939934286647755,25.536269676952834,12.768134838476414,19.28700652670988,25.536269676952834,3.1920337096191043,12.768146777845176,-5.329070518200751E-15,0.2592582707086129,0.03240728383857661,-1.0799444239498797,54.18975052352141,6.773718815440176,3.1939934286647755,25.536269676952834,12.768134838476414,19.28700652670988,25.536269676952834,3.1920337096191043,12.768146777845176,-5.329070518200751E-15,0.2592582707086129,0.03240728383857661,-1.0799444239498797,54.18975052352141,6.773718815440176,3.1939934286647755,25.536269676952834,12.768134838476414,19.28700652670988,25.536269676952834,3.1920337096191043,12.768146777845176,-5.329070518200751E-15,0.2592582707086129,0.03240728383857661,-1.0799444239498797,54.18975052352141,6.773718815440176,3.1939934286647755,29.58989952000207,14.526780978321192,22.567086706364943,29.567677297779845,3.6959596622224806,14.526783063423242,-0.08888888888890811,0.3903194513258027,0.04878993141572534,-0.7526318153432494,44.37253523915062,5.546566904893828,3.0340965618771962,0,11.85,12.150082711440122,-0.21004852815544667,0.09005289589744814,5.447589186240761,8.129630703224734,8.0,18.0,15.0,12.0,2.0,3.0,0.0,0.0,0.0,6.0,10.932069999999998,3.778338103624786,3.075106368979846,2.6191819138397174,2.4489401845992957,1.6061335260398937,0.9414285011440524,0.7501004399684403,0.30010145279505507,1.9805116463451315,1.5970476064484136,1.082250302016947,1.02499887962215,0.7041154242683662,0.31051397192943425,0.23243116672980424,0.08392307051869119,3.790516618215423,3.108532990574632,2.6458150318986875,2.4865167834618176,1.6961558406494852,1.0533366226901493,0.8765754005431206,0.43930589340301524,1.947260401204868,1.520375277514205,1.007167592188801,0.9371076136691059,0.5737542927540042,0.15015625861415766,0.06453643224061754,0.270913901892937,3.846032039251894,3.2610371532999713,2.7718202154797926,2.6529152242607927,2.065523568334679,1.5177937868953868,1.390101534362051,0.9563839198476138,1.8575641150446969,1.2922035972400374,0.7986202314843523,0.6865072893640198,0.13354633095525023,0.39684308271442115,0.5174200272601022,0.9439184268026216,3.799583846658721,3.133513591446163,2.6659250192640345,2.5142421100646883,1.76120250852709,1.1348113653661855,0.9680026874623215,0.5363429928350236,1.926879096879616,1.471135888956609,0.9602789912487928,0.8818380908555495,0.48604877839170746,0.04190290236346221,0.04940034563438611,0.3992772455089819,3.874468449813755,3.337283949591762,2.8380785876458834,2.7351761443088174,2.228105817944772,1.7214642273785616,1.6099095830052148,1.2076448229620889,1.8316273874093603,1.2217380666530357,0.738564275808062,0.6104981427938003,0.023603471643282685,0.5943111067077905,0.7321869465620247,1.1613533487970011,3.817371662589437,3.127691873447098,2.733079799006313,2.555167962827892,1.7909241103382567,1.2378676016991497,1.0694792357002971,0.6070311145486318,1.91384780655501,1.4440757620743412,0.8801948906731564,0.8273404624765588,0.4216878700876258,0.07408265480285803,0.16675846921444867,0.5274725274725273,0,0,0,5,1,1,1,0,0,0.0,0.0,0.0,0.10206207261596577,0.07216878364870323,0.0,0.0,0.0,0.032075014954979206,0.022680460581325723,0.20412414523193154,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.49279927982674443,0.5948613524427102,0.49279927982674443,0.2539338936857123,0.25393389368571223,0.1692892624571415,5.819990956308912,3.931851652578137,2.9122841352177495,2.302095140581215,1.5953879568423455,1.1051717155225391,0.348461712529338,0.14433756729740646,0.727498869538614,0.4914814565722671,0.3235871261353055,0.2302095140581215,0.15953879568423454,0.1105171715522539,0.0871154281323345,0.07216878364870323,5.093858127134677,2.9713437743027806,1.8391519502467628,1.2510729525413518,0.7137128315712065,0.40710027334966825,0.12392834129449005,0.045360921162651446,0.6367322658918346,0.3714179717878476,0.20435021669408476,0.12510729525413516,0.07137128315712064,0.04071002733496683,0.030982085323622514,0.022680460581325723,10.709139018929374,17.439184268026217,16.62745098039216,16.800000000000008,11.992772455089817,135.36935928143714,0.5949521677182985,0.968843570445901,0.9237472766884535,0.9333333333333338,0.6662651363938787,7.520519960079842,2.2490000000000006,35.82,31.311335179564956,44.10503795080262,62.62267035912991,7.827833794891239,31.311335179565006,0.10680307413318396,0.013350384266647995,-1.7894148550813747,44.797410666305446,5.599676333288181,3.0417202720987855,60,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,2.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.864907407407408,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0949999999999998,0.0,0.6452777777777778,0.0,0.0,2.0949999999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.162037037037037,0.0,1.1397222222222223,0.0,0.0,10.455185185185186,0.0,0.0,0.0,0.0,1.4097222222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4097222222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4065972222222222,0.0,0.28597222222222224,0.0,0.0,0.4065972222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.162037037037037,0.0,1.1397222222222223,0.0,0.0,2.0408333333333335,0.0,0.0,0.0,0.0,1.4097222222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.138888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4330555555555556,0.0,0.35930555555555554,0.0,0.0,0.4330555555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.162037037037037,0.0,1.1397222222222223,0.0,0.0,2.138888888888889,0.0,0.0,0.0,0.0,1.4097222222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.166666666666668,1.8958333333333335,0.4330555555555556,2.162037037037037,0.1597222222222222,1.1397222222222223,4.891390925925926,0.3602777777777778,0.16203703703703703,1.2344444444444442,0.3602777777777778,0.16203703703703703,1.2344444444444442,4.0,0.5,0.0,0.0,0.47778,0.7,0.43333,0.43333,0.7,0.04444,0.04444,-0.0,0.0,0.71429,0.0,0.0,0.125,0.125,0.0,10.0,1.25,4.0,0.5,6.0,0.75,2.0,0.25,0.0,0.0,3.90009,0.48751,8.02289,4.12281,0.51535,1.94966,0.24371,3.93185,1.98218,0.24777,-0.01785,-0.00223,0.06815,0.00852,0.3333333333333333,8.0,0,0,0,0,0,0,0.25,0.9910760598382221,2.2349849223695104,2.7744019192887706,3.3082708345352603,3.5724312513221195,3.3082708345352603,17.839369077087998,40.229728602651186,49.93923454719787,59.548875021634686,64.30376252379816,59.548875021634686,0.2376723944664291,0.5359772469760161,0.665336167515998,0.7933645889053115,0.8567135500246338,0.7933645889053115,3.17884894160409,1.9349400790728017,1.3955230821535416,0.8616541669070519,0.5974937501201927,0.8616541669070519,0.2256385330209643,0.5088395731098065,0.631648774949778,0.7531948436555189,0.8133363114412738,0.7531948436555189,6.714395846294912,15.53453832555926,19.042859283165573,22.484603260698634,22.750830741199987,19.58090573975767,29.669493956074607,24.703223963163982,20.71495057086961,16.560234728392114,15.962740978271924,19.547703478993082,6.125,3.111111111111111,1.8,2,6,2,2.34,0.9982000000000006,0.0,2.0041451295984074,0.4999999999999999,0.0,7.732315986074721,3.965406456500188,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.13299999999999998,0.124,0.553,0.664,3.919,9.0,10.0,10.0,10.0,4.0,2.0,0.0,0.0,0.0,61.0,2.4849066497880004,2.917770732084279,3.3586377672433594,3.7524409356036807,4.150055169236106,3.2700441114426,2.7842393394597567,0.0,0.0,0.0,5.3462142747402535,3.423155737704918,0.4,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.125,2.0,0.25,0,3.0,5.0,0.6666666666666666,1.0,0.44444444444444464,0.1875,0.15111111111111114,0.0625,0.0,0.0,0.0,0.0,0.0,0.125,0.04938271604938274,0.026785714285714284,0.05037037037037038,0.0625,0.0,0.0,0.0,0.0,0.0,0.3140388007054674,16.427289909297677,24.539179878650465,32.854579818595354,4.106822477324419,16.427290200017914,0.07755761457499238,0.009694701821874048,-2.045387363957745,52.854475777570336,6.606809472196292,3.174033917638171,0.0,115.7585009045335,4.0,3.5553480614894135,4.290459441148391,5.043425116919247,5.796057750765372,6.555356891810665,7.311218384419629,8.071843149609158,8.82834762005316,9.589256144850811,75.04131256106584,2.833213344056216,0.0,3.970291913552122,0.0,5.342334251964811,0.0,6.803505257608338,0.0,8.298290634359283,8.556606193773073,106.07825032,5.893236128888889,15.692665461309003,1.9615831826636254,0.0,0.0,0.0,64.0,7.0,2.9379999999999997,34.0,1.2321279856089455,2.1675516612370815,2.9788909407659045,3.844102222188133,4.583801355400929,5.496638830911568,6.220278542893091,0.0,0.0,0.0,96.47528550837518,117.87343342016035,108.76376688267952,93.02847257798787,58.56735402885167,25.49527964633224,6.320201097406126,0.0,0.0,0.0,331.92715151577454,448.7318028054039,470.13718813638064,493.62539536746505,408.55375463921996,321.02776511867773,193.3495485164881,0.0,0.0,0.0,9.030807129532029,15.63249621418121,21.173833920722775,27.156616201457123,31.851133896615284,37.64554701754747,41.790717460399684,0.0,0.0,0.0,2.405937989714788,3.4466359472309165,3.8589175421985584,4.357022194647363,4.003514551572477,3.64472632507932,2.765616111925602,0.0,0.0,0.0,172.4187124038386,320.8496130440387,462.9208532921558,608.0778515254298,765.0916593834603,959.3477306941971,1150.2393030886071,0.0,0.0,0.0,3.327001278958237,4.9942262165712465,5.987842291415879,7.250041466149526,7.308954227918131,7.291815075164663,6.220278542893091,0.0,0.0,0.0,0.494734491905032,0.7169050800475104,0.8128766771894846,0.9287249722288319,0.8691674333987626,0.8098720674945702,0.6369565227922526,0.0,0.0,0.0,240.02422371895506,105.92573914477774,10.654122877346898,81.9237370516662,-36.1539859029439,-4.781169785407127,158.10048666728886,142.07972504772164,15.435292662754026,0.7455373320098941,0.3290150957665074,0.033092686320624516,0.25446266799010575,-0.11229760802461669,-0.0148507534384216,77.27530936186898,34.10257571078196,3.430073134161458,26.375180082492523,-11.63970203518258,-1.5392878625099335,0.14055492878566397,0.13990466851281114,3.5353456389556075,1.8919196577673498,321.9479607706213,0.0,1.0,0.0,602.7210855525303,24.550378521573354,8.44705771797185,700.6530078384345,26.469850922104463,8.881800151099196,969.5358289614192,31.137370296179785,9.89740376420039,1.774949519563643,1.774949519563643,392.15757654414455,320.66296822985635,107.02972597739364,1.2229587304981213,3.664006171771143,2.9960178380498275,3.753839470985601,3.7855247285438245,6.661528954964442,0.7597372709613572,3.1974168289698683,2.821356818546404,3.4797690942827746,8.057634602044505,4.012685415313271,3.5075670480915795,3.561349467868617,3.914348690153772,3.4402881787286326,2.6903646948349706,1.7464534173860464,0.549171909147553,1.8016219975097672E-5,4.163404036927282E-31,1.9615664856937802E-78,1.8606110058260105E-147,3.509080151184936E-238,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2684466460546765,2.8212533685138617,0.2770550384073,3.1160407922789837,0.9639572968869293,1.196584823221876,0.2625293791691141,0.8370524382434554,0.5400233928996276,0.18656842867287965,0.07852217003519996,0.0038678626593433153,1.268897103859777E-7,2.9323195053997404E-33,1.3815473146784466E-80,1.310443544742216E-149,2.471473842573491E-240,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8663119038161582,2.821260554771871,0.9035956041046317,3.5976406971095782,1.2634605849151668,1.6024358041045794,0.8066479680903396,1.371286834833402,0.9500440577717797,0.6281056680800587,0.2983162977647911,0.04030611104799107,1.3222886147028326E-6,3.055703007648757E-32,1.4396788197527938E-79,1.3655832093497634E-148,2.575466295596438E-239,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0181073731590975,2.821345557401924,3.2740781911300805,7.568648648097157,3.7118459995845976,3.3427878332888485,3.313676909730559,3.6927375005050513,3.1983557080982417,2.512482794363277,1.6016561576021362,0.48930228401069714,1.605212764203068E-5,3.709518040880839E-31,1.7477204236076388E-78,1.6577709086017247E-147,3.1265272388322696E-238,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2767276603220787,2.821269624047488,1.341772794268138,4.084746304678969,1.5649083181858108,1.9005978742917924,1.2185426257213963,1.7659050432281393,1.2855455659602542,0.9518552906549543,0.4850263682312798,0.08755025916588358,2.872187564102963E-6,6.637395255901224E-32,3.1271747759287026E-79,2.966229208986777E-148,5.5942569449112636E-239,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.8613190357823672,2.821404108878282,4.252276169484394,10.079846636708709,5.256222142962388,4.144128595522327,4.530282411094685,4.772595488986846,4.409154262009061,3.3769142207866834,2.3310411784114717,0.8009156174518468,2.6274963640989574E-5,6.071933504598569E-31,2.860760368280769E-78,2.713526288848415E-147,5.117663611631303E-238,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7016784807777794,2.396487163435312,1.7696371818851822,4.383235990786132,2.0619065970514243,2.3474664920253185,1.7288224779763317,2.1633834452450356,1.7579081375136543,1.3539192798655337,0.7255662796812156,0.1527945995262095,5.012603649634711E-6,1.158372527603002E-31,5.457612828207305E-79,5.176727155443942E-148,9.763217809841919E-239,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.097047474073013,1.5175074084873907,0.403595621745183,0.6807818234425755,0.25215511100988836,0.5728400393394478,0.4387849688454327,0.2822929530930961,6.018150504305586,8.483309663479767,17.01073518441567,0.5211727351638633,1.2939179612779768,2.9589179884274563,0.8414507610786613,0.16965194596631739,0.7453155072470833,0.21195122787099935,0.29885963388845926,0.13508197993853946,0.049917894507258524,3.970020695472435,3.134523747074918,7.526941108121463,0.617973260870625,0.4838595083342572,3.349355567983075,1.0734296263476604,0.2499255344669964,0.7167906943909729,0.22972310691782308,0.3828901427101758,0.21972872176341435,0.10830267369390015,4.672710728797732,4.700664449371356,10.271931826386135,0.5751860415864593,0.7109215381674903,4.061726858602058,1.4965333678456845,0.3963375753809302,0.6821160712743168,0.2513240050211443,0.5630084379672542,0.4267549041313683,0.27223687185626,5.954597801828673,8.281457156459568,16.64519678443033,0.5231741069114754,1.2620002139548825,3.5469194072160852,1.1907877990690783,0.29053608075162807,0.7053993223359585,0.23681984563854006,0.4293729350266988,0.27034106534702507,0.1463388455927564,5.0282432870367915,5.600103237857078,11.85546295353102,0.5580989835039377,0.8460528459664802,4.210646571267254,1.5849623579468006,0.4269384380520167,0.6766756961011671,0.25471278310946266,0.6050379134161308,0.47860627076243983,0.31586985146334723,6.222547367266071,9.148084541875328,18.219897929983173,0.5150135441517507,1.3995140356419178,4.063590645056809,1.4973735625739393,0.3955274468840524,0.6822120940901105,0.25138515243935333,0.5634976248270301,0.4271962430839523,0.2711396138153074,5.956491654514801,8.284227176288635,16.647389908228856,0.5233181411351657,1.2618334817262897 +UMLCN0329,L,"1,4-dimethylbenzene",CC1=CC=C(C=C1)C,Aromatics,,C8H10,NREL (2014),IQT,PubChem,,6.2,0,2.2962000000000002,5.272534440000001,39.5198,20.74792999999999,6,6,18,8,10,0,8,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1164.2736079999988,1275.1838479999997,1618.2368259999987,1302.451086999999,544.894898,231.13154500000002,72.642528,9.144576,0.0,3698.972658303943,4535.501377699823,6027.984113266136,5780.4645939996135,3576.9385529420597,1547.1090220054643,688.4196982231118,279.75369987837234,0.0,127.50876799999996,131.500448,215.36279200000007,237.04370800000015,251.49216800000022,144.304804,42.705792,60.46617599999999,0.0,26.757329048489986,33.4466431,46.14629776909402,47.136589249698034,34.07326686788601,15.694746527886005,6.68126586,4.001516143641,0.0,2863.5313689624904,2545.580325849001,4521.165141026095,4932.3369417880995,5904.886794777487,3634.3767707068864,918.7352862774,1664.258868218241,0.0,39.55555555555556,48.0,68.0,75.44444444444444,60.66666666666667,28.0,12.0,9.0,0.0,64.68186711111105,70.84354711111109,53.94122753333329,39.46821475757573,15.135969388888888,11.006264047619048,12.107088,1.016064,0.0,205.4984810168857,251.97229876110129,200.93280377553785,175.16559375756404,99.35940424839055,73.6718581907364,114.73661637051863,31.08374443093026,0.0,7.083820444444442,7.305580444444445,7.178759733333336,7.183142666666671,6.9858935555555615,6.871657333333333,7.117632,6.718463999999999,0.0,1.486518280471666,1.858146838888889,1.5382099256364674,1.428381492415092,0.9464796352190559,0.747368882280286,1.11354431,0.444612904849,0.0,159.08507605347168,141.42112921383338,150.70550470086982,149.4647558117606,164.02463318826352,173.06556050985174,153.1225477129,184.917652024249,0.0,2.197530864197531,2.6666666666666665,2.2666666666666666,2.2861952861952863,1.6851851851851853,1.3333333333333333,2.0,1.0,0.0,0.04198201458354537,0.0015398081995872475,-0.002835091691683402,-0.0300041404984342,-0.011543660262170928,0.02153212778242405,-0.006612255337918363,0.006932204516422912,0.0,538.0711511111111,3.268496584496461E-13,98.64637770370392,-408.0372895925924,-188.32490288888903,192.80882914814782,-179.35705037037036,215.22846044444418,0.0,1000.5662819521006,-4.263256414560601E-14,183.43715169121833,-758.7627638136762,-350.1981986832351,358.536251032836,-333.5220939840336,400.2265127808402,0.0,0.10540444444444434,1.5230872119076366E-15,0.01932414814814924,-0.0799317037037023,-0.036891555555556704,0.03776992592592426,-0.035134814814814674,0.042161777777776514,0.0,4.47299682155111,3.941291737419306E-15,0.8200494172843733,-3.392022589676256,-1.5655488875428922,1.6028238610558105,-1.4909989405170367,1.7891987286204412,0.0,24.297389726439967,4.39648317751562E-14,4.454521449847362,-18.42552054255028,-8.504086404254046,8.706564651974274,-8.099129908813323,9.718955890575952,0.0,3.9012345679012355,-0.7901234567901234,1.6954732510288075,-2.7448559670781885,-2.1975308641975313,2.0411522633744865,-1.4485596707818928,1.4938271604938278,0.0,0.0023323341435302985,8.55448999770693E-5,-9.450305638944674E-5,-9.092163787404303E-4,-3.20657229504748E-4,0.0010253394182106691,-0.0011020425563197272,7.702449462692125E-4,0.0,29.892841728395062,1.815831435831367E-14,3.288212590123464,-12.36476635129068,-5.231247302469139,9.181372816578468,-29.89284172839506,23.91427338271602,0.0,55.587015664005584,-2.3684757858670005E-15,6.114571723040611,-22.992811024656856,-9.727727741200974,17.073154811087427,-55.5870156640056,44.46961253120447,0.0,0.005855802469135796,8.461595621709093E-17,6.441382716049747E-4,-0.00242217283950613,-0.0010247654320987972,0.0017985679012344883,-0.005855802469135779,0.004684641975308501,0.0,0.2484998234195061,2.1896065207885033E-16,0.027334980576145775,-0.10278856332352292,-0.043487469098413674,0.0763249457645624,-0.24849982341950613,0.19879985873560457,0.0,1.3498549848022203,2.4424906541753444E-15,0.14848404832824538,-0.5583491073500085,-0.23622462234039018,0.4145983167606797,-1.3498549848022205,1.0798839878417725,0.0,0.21673525377229086,-0.0438957475994513,0.056515775034293586,-0.0831774535478239,-0.06104252400548698,0.0971977268273565,-0.24142661179698213,0.1659807956104253,0.0,0.03667780631448704,-0.04051866095241558,-0.3898310974276654,-0.13748340065004175,0.4396194349145364,-0.47250629133767214,0.33024639647188125,0.0,6.074469106450049E-16,0.11000000000000024,-0.41363636363636347,-0.1750000000000001,0.30714285714285666,-0.9999999999999999,0.7999999999999989,0.0,-4.260843575742934E-17,0.10999999999999995,-0.41363636363636364,-0.17499999999999993,0.3071428571428571,-1.0000000000000002,0.8,0.0,1.4449933491280932E-14,0.11000000000000633,-0.4136363636363568,-0.17500000000000562,0.3071428571428439,-0.999999999999997,0.7999999999999768,0.0,8.811300107413393E-16,0.11000000000000042,-0.41363636363636336,-0.17500000000000043,0.3071428571428564,-1.0000000000000002,0.7999999999999987,0.0,1.8094467047756366E-15,0.11000000000000085,-0.4136363636363631,-0.1750000000000012,0.3071428571428555,-1.0000000000000002,0.7999999999999973,0.0,-0.2025316455696202,0.2607594936708862,-0.3837744533947064,-0.28164556962025317,0.4484629294755878,-1.113924050632911,0.7658227848101267,0.0,0.967312109719486,0.9930931349850388,1.4790490577330855,1.1438473537370644,0.48951252951702046,0.9214502026524186,0.0,0.0,1.0625000000000002,0.8925000000000004,1.390909090909092,1.0625000000000007,0.5464285714285715,1.9125,0.0,0.0,1.0625,0.8925,1.3909090909090904,1.0624999999999996,0.5464285714285716,1.9125000000000003,0.0,0.0,1.0624999999999996,0.8924999999999995,1.39090909090909,1.0624999999999993,0.5464285714285714,1.9124999999999999,0.0,0.0,1.0625000000000004,0.8925000000000005,1.3909090909090918,1.0625000000000004,0.5464285714285716,1.9125000000000008,0.0,0.0,1.0625,0.8925000000000003,1.3909090909090918,1.0625000000000007,0.5464285714285716,1.9125000000000005,0.0,0.0,1.2911392405063287,0.6455696202531644,1.4378596087456843,1.2238924050632907,0.2766726943942134,2.17879746835443,0.0,0.0,23.999999999999996,11.999999999999996,17.62977265568976,23.999999999999993,2.999999999999999,12.00002520400193,-3.552713678800501E-15,2.220446049250313E-16,2.7755575615628914E-17,-28.834922711293725,35.49890880819778,4.437363601024723,2.8556015665693675,23.999999999999996,11.999999999999996,17.62977265568976,23.999999999999993,2.999999999999999,12.00002520400193,-3.552713678800501E-15,2.220446049250313E-16,2.7755575615628914E-17,-28.834922711293725,35.49890880819778,4.437363601024723,2.8556015665693675,23.999999999999996,11.999999999999996,17.62977265568976,23.999999999999993,2.999999999999999,12.00002520400193,-3.552713678800501E-15,2.220446049250313E-16,2.7755575615628914E-17,-28.834922711293725,35.49890880819778,4.437363601024723,2.8556015665693675,23.999999999999996,11.999999999999996,17.62977265568976,23.999999999999993,2.999999999999999,12.00002520400193,-3.552713678800501E-15,2.220446049250313E-16,2.7755575615628914E-17,-28.834922711293725,35.49890880819778,4.437363601024723,2.8556015665693675,23.999999999999996,11.999999999999996,17.62977265568976,23.999999999999993,2.999999999999999,12.00002520400193,-3.552713678800501E-15,2.220446049250313E-16,2.7755575615628914E-17,-28.834922711293725,35.49890880819778,4.437363601024723,2.8556015665693675,23.999999999999996,11.999999999999996,17.62977265568976,23.999999999999993,2.999999999999999,12.00002520400193,-3.552713678800501E-15,2.220446049250313E-16,2.7755575615628914E-17,-28.834922711293725,35.49890880819778,4.437363601024723,2.8556015665693675,25.65172980463644,12.759198235651553,18.61519494512438,25.626729804636437,3.2033412255795546,12.759209651881033,-0.049999999999998934,3.3306690738754696E-16,4.163336342344337E-17,-28.510550624807195,39.049195537072514,4.881149442134064,2.9318578201842254,0,11.849999999999996,12.15008271144012,-0.20858920360300104,0.09149925947468003,5.845781250000003,7.6590857425223335,8.0,18.0,15.0,12.0,2.0,3.0,0.0,0.0,0.0,6.0,10.932069999999998,3.7995777520245584,3.025396389478882,2.6191819138397134,2.3849468507748726,1.8427191025351428,0.9414285011440492,0.36233954126689216,0.280919994992441,1.988995779778115,1.5170666884517763,1.2169384375825616,1.082250302016949,0.6372064431855777,0.31051397192943425,0.08392307051869115,0.08392307051869122,3.810779039497663,3.053343151871892,2.6458150318986817,2.448321325502315,1.9044895988037367,1.0533366226901497,0.4777148334977354,0.42723202742339167,1.9573881350637434,1.4383457998215812,1.1105937106409918,1.0071675921888017,0.5318967234986672,0.15015625861415688,0.2709139018929368,0.27091390189293724,3.862194007099971,3.187435319513403,2.7718202154797926,2.716126481297054,2.158952528058775,1.517793786895386,0.9570084487881142,0.9567243149977305,1.8729475298523504,1.2161498628998766,0.7986202314843567,0.7670726505039019,0.2065973492884291,0.3968430827144215,0.9439184268026215,0.9439184268026218,3.81913666782022,3.0745659341959657,2.6659250192640345,2.4945104783968537,1.949078733287012,1.1348113653661847,0.5622492969258605,0.5284628231870706,1.9380861486634668,1.3887727138944854,1.0402117223802092,0.9602789912487912,0.46382436683890566,0.04190290236346205,0.39927724550898175,0.3992772455089818,3.888755315939496,3.258431154201385,2.838821756589846,2.8380785876458856,2.273637885777667,1.7214642273785614,1.2076448229620895,1.2076448229620884,1.8487970933084577,1.151850519105841,0.7385642758080624,0.6501904275015891,0.09706758766796882,0.5943111067077895,1.157463255363581,1.1613755515602344,3.816521900093818,3.077733287526269,2.7225923666721012,2.5672491268425,1.9861537825122726,1.2302146880173261,0.6098725624888511,0.5986734656737432,1.9327060546116552,1.3541283948519105,0.9545993524922144,0.8897421681045662,0.4147703231816656,0.06736989602383797,0.521739130434782,0.5217391304347824,0,0,0,4,2,2,0,0,0,0.0,0.0,0.0,0.08333333333333333,0.16666666666666666,0.0,0.0,0.0,0.027777777777777776,0.05555555555555555,0.5773502691896258,0.0,0.0,0.0,0.3333333333333333,0.0,0.0,0.0,0.8164965809277261,0.7600796553858447,1.1380711874576985,0.3849001794597505,0.30356120084098637,0.4146723119520976,5.983127663125442,3.787693700234704,3.36504396942433,2.304530452640311,1.4267463220525112,1.3047378541243648,0.3333333333333333,0.0,0.7478909578906803,0.473461712529338,0.336504396942433,0.23045304526403113,0.14267463220525112,0.10872815451036373,0.08333333333333333,0.0,5.309401076758503,2.821367205045918,2.1547005383792515,1.218233512793084,0.6368945341743196,0.5257834230632087,0.1111111111111111,0.0,0.6636751345948129,0.35267090063073975,0.21547005383792514,0.12182335127930839,0.06368945341743196,0.04381528525526739,0.027777777777777776,0.0,10.709139018929374,17.439184268026217,16.62745098039216,16.800000000000008,11.992772455089817,135.36935928143714,0.5949521677182985,0.968843570445901,0.9237472766884535,0.9333333333333338,0.6662651363938787,7.520519960079842,1.74264,33.721999999999994,30.701527021213188,40.304048890007394,61.40305404242639,7.675381755303299,30.70152702121328,0.09442189336509499,0.011802736670636874,-1.887985849183874,23.371456285751503,2.921432035718938,2.5212123687466352,58,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6263888888888889,0.0,0.0,0.0,0.0,1.6263888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.193333333333333,0.0,0.0,0.0,0.0,8.481481481481481,0.0,0.0,0.0,0.0,2.6585185185185187,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3292592592592594,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4065972222222222,0.0,0.0,0.0,0.0,0.4065972222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0966666666666667,0.0,0.0,0.0,0.0,2.1203703703703702,0.0,0.0,0.0,0.0,1.3292592592592594,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1203703703703702,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4065972222222222,0.0,0.0,0.0,0.0,0.4065972222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0966666666666667,0.0,0.0,0.0,0.0,2.1203703703703702,0.0,0.0,0.0,0.0,1.3292592592592594,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.333333333333334,1.9166666666666667,0.4065972222222222,2.1203703703703702,0.1775,1.3292592592592594,4.879186666666667,0.3374074074074073,0.12037037037037035,1.349629629629629,0.3374074074074073,0.12037037037037035,1.349629629629629,4.0,0.5,0.0,0.0,0.47778,0.7,0.43333,0.43333,0.7,0.04444,0.04444,-0.0,0.0,0.71429,0.0,0.0,0.25,0.25,0.0,10.0,1.25,4.0,0.5,6.0,0.75,2.0,0.25,0.0,0.0,4.09034,0.51129,8.39431,4.30397,0.538,1.7065,0.21331,3.78768,2.08118,0.26015,0.12632,0.01579,0.21232,0.02654,0.3333333333333333,8.0,0,0,0,0,0,0,0.25,0.9910760598382221,2.1971597234241496,2.1971597234241496,2.419381945646372,2.4193819456463714,2.1971597234241496,17.839369077087998,39.54887502163469,39.54887502163469,43.54887502163469,43.548875021634686,39.54887502163469,0.2376723944664291,0.5269062927184989,0.5269062927184989,0.5801979519558614,0.5801979519558613,0.5269062927184989,3.17884894160409,1.9727652780181626,1.9727652780181626,1.7505430557959403,1.7505430557959407,1.9727652780181626,0.2256385330209643,0.5002279006589045,0.5002279006589045,0.5508212892582275,0.5508212892582274,0.5002279006589045,6.714395846294912,15.258033798476411,15.258033798476411,17.924700465143076,15.481994916698632,15.258033798476411,29.669493956074607,25.124813903151757,25.124813903151757,22.005013899305588,24.604847235844062,25.124813903151757,6.125,2.52,1.8,0,6,0,2.34,0.9982000000000003,0.19999999999999996,3.2659863237109037,1.9999999999999996,0.0,3.3019272488946267,5.656854249492381,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.129,0.112,0.529,0.672,3.896,10.0,10.0,10.0,12.0,4.0,0.0,0.0,0.0,0.0,62.0,2.4849066497880004,3.0204248861443626,3.4094961844768505,3.803880846808443,4.298135385020496,3.446011397451948,0.0,0.0,0.0,0.0,5.37325089069706,3.4606854838709675,0.4,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.25,0,3.0,5.0,0.6666666666666666,2.0,0.8888888888888893,0.25,0.3022222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.25,0.08888888888888893,0.03571428571428571,0.1511111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.5257142857142857,15.88819441731559,23.72040607190284,31.77638883463118,3.9720486043288976,15.888194908016297,6.661338147750939E-16,8.326672684688674E-17,-27.95603288035924,32.54481954248038,4.068102442810048,2.786094561717931,0.0,115.7585009045335,4.0,3.6109179126442243,4.343805421853684,5.1298987149230735,5.8888779583328805,6.670766320845874,7.438971592395862,8.217438537730187,8.989319566042951,9.765890764521682,76.05588678929041,2.833213344056216,0.0,4.04305126783455,0.0,5.4510384535657,0.0,6.940222469119639,0.0,8.463159302923751,8.71292443512011,106.07825032,5.893236128888889,15.532829208695095,1.9416036510868868,0.0,0.0,0.0,62.0,7.0,2.8659999999999997,36.0,1.2313502078311678,2.1537694027097016,3.054081916350415,3.8031475085659645,4.921182279327806,6.1212235408720455,6.55256675069579,0.0,0.0,0.0,96.27497539226407,127.35537074952141,126.91063355908356,62.84478792461861,58.47853178740489,74.11019207700946,6.657827182978966,0.0,0.0,0.0,331.3918959574948,462.63303810050587,552.0594152671271,403.25520610874315,370.31327801237666,702.3284771272238,203.67831024523903,0.0,0.0,0.0,9.02466036108758,15.520795939151984,21.972167474433125,26.66740924918624,33.81586864740356,43.568616553664185,44.023183822146635,0.0,0.0,0.0,2.4026519414770102,3.4889916236514478,4.463319944635185,3.7858540835240544,3.7114025937793977,6.816253644176119,2.9133557372438275,0.0,0.0,0.0,172.33764669907274,320.4353436162558,454.07966478946815,616.0766503391519,852.0166314279784,937.2973436985067,1211.685258270828,0.0,0.0,0.0,3.381661893462061,5.092398480771378,7.113058049389068,6.662841140099185,6.618832576022742,12.242447081744091,6.55256675069579,0.0,0.0,0.0,0.49408199190503205,0.7236246362701467,0.9362022664211,0.8152321668822966,0.8113093124217843,1.4690936498092915,0.6709828352712489,0.0,0.0,0.0,264.29211067007896,109.5841136681814,10.466470791043028,108.96957730672679,-45.182334484666605,-5.519303014343361,155.32253336335216,154.766448152848,15.985773805386389,0.7080611784794316,0.2935852170153367,0.028040570806434892,0.29193882152056844,-0.1210473400834918,-0.014786685031243623,98.65011934766642,40.90355124322753,3.906732554624653,40.674168363627864,-16.864834436479295,-2.0601443595892746,0.1495980176291508,0.1413039149963234,3.8620867996224737,1.8041899344610721,373.2616879768057,0.0,1.0,0.0,604.8962864595127,24.594639384620233,8.457207237365088,702.6158964518111,26.506902807604874,8.890086577698176,980.0983617553375,31.306522671087848,9.933216191006556,1.8337409524761272,1.8337409524761272,413.5027283493311,328.61594156233514,91.62968927152892,1.2583160950239347,4.512759255616228,3.5863478767077117,3.705446905313063,4.288153177805148,6.664765497223214,0.5542274776281461,3.115758499940702,2.8720010840433376,3.6659411253526994,7.4169127818132745,0.13553658696039156,4.808251927849965,4.302966476721245,5.9083304524166484,0.8846068599164197,1.3261649329784486,1.452645365050422,1.8392325202051838,2.733938298829974E-5,7.605898678379592E-31,4.935151270411348E-78,6.44181609039601E-147,1.6652297936767896E-237,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2615936283650715,2.8718790646800127,0.283316288494546,4.151625241345966,0.011785942269634597,0.2862808309704604,0.4299995840713913,0.3875218395691764,0.006235092591465617,0.051674526334935605,0.12193812270600075,0.012954488952862688,1.9255350979904272E-7,5.3568966290302234E-33,3.475867392155833E-80,4.537023744158903E-149,1.1728349594854662E-239,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8441895272895021,2.871887515818744,0.9299771502447132,4.597598515970897,0.03696413815053564,0.7506018752548813,1.2193915132439026,1.3222196628009346,0.06493730156262101,0.13683838731352616,0.3935630874964103,0.1349908640356655,2.006556031642429E-6,5.582299306350545E-32,3.6221218134109553E-79,4.727928547782941E-148,1.2221844538345391E-238,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.9410285716875313,2.871987792653983,3.4433625049834595,7.138993932145883,0.12793167033620007,4.369143814443613,4.065454723391196,5.502350528271487,0.7881720458692137,1.1862370095058872,1.3711801548057387,1.638723492413245,2.4358898036832522E-5,6.776718789316391E-31,4.397130931731052E-78,5.739542161033322E-147,1.4836897661307186E-237,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.244123347644905,2.8718982032731786,1.3868961652253444,4.969228532138529,0.05427251263748835,1.205544109755569,1.7616296982689559,2.020933596626033,0.14104084670104405,0.2472579118596096,0.5800253340350492,0.29321665971701905,4.358507830043127E-6,1.2125500037224427E-31,7.867732590651591E-79,1.0269692582932332E-147,2.6547479501155954E-238,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.762704777474946,2.872056905896445,4.50764497061427,8.534507365102476,0.16372708712150805,6.6183241594639295,5.182832816212943,7.488700244852182,1.2901005269700438,1.9145430006509971,1.7542746731800754,2.6823457416751197,3.987192069022071E-5,1.1092488408095773E-30,7.19745431461622E-78,9.394783355834283E-147,2.4285811531624026E-237,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6963462202867183,2.6223479920518282,1.7318845553232425,5.706314980922604,0.07384616265027123,1.7566008055198106,2.368033918846645,2.779708344332939,0.24081158039971773,0.3958144830775174,0.7908693764503368,0.5006628573852324,7.442100473185562E-6,2.070414763112781E-31,1.343406016898363E-78,1.7535378393516548E-147,4.5329506670974994E-238,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.913938493883807,1.5034013345899417,0.18582725152721236,0.7441790332349264,0.22767882689858016,0.5660593511642354,0.43794829473828945,0.22223797402689,6.6031670800009605,8.580138312239193,16.5561268261781,0.6162685498523895,1.226245619929415,3.06582481821841,0.8319670494095713,0.0317616344962367,0.7801967364895533,0.21172050436769235,0.22035047409474412,0.1341164909898249,0.006492398687722809,3.929553502124218,2.67446546866181,6.685032267480653,0.6702951047343301,0.3609593637722918,3.699887039562987,1.0623330654351422,0.0846197947141033,0.7633606878128277,0.21918055628332497,0.32091326969305217,0.21867254136686334,0.04608328331004328,4.846839899712233,4.333490428171018,9.51292947525784,0.6450410317192417,0.5856690943699588,4.856591742496791,1.4825674544354361,0.18104665301378087,0.7448525175837826,0.2273804675120361,0.5529246907868485,0.4258944363323946,0.21095045370524546,6.5202058499460085,8.347908412431735,16.17169087366714,0.617278776375674,1.1897695808244886,4.02069889224152,1.1788867196995296,0.11136387251803326,0.7570583949267267,0.22197287380518146,0.3789753271657133,0.2692882911894676,0.07981566243872651,5.310949484459083,5.3189945172089415,11.157803025279376,0.6355875923900901,0.7280792807939074,5.098376038214844,1.570406690538037,0.20120251176199333,0.7421232884384981,0.22858952902500593,0.609348171033955,0.4778559688548555,0.2605351093705111,6.869985240514874,9.348299676711479,17.829217624576465,0.613184932657747,1.3477392492593216,4.854883391690938,1.4828773521155316,0.1807203356367093,0.744787525272015,0.22748817309479738,0.552535790082855,0.42607250688682985,0.21019070731370543,6.51848107944318,8.344558877506195,16.164081188002765,0.6171812879080224,1.1887990042833902 +UMLCN0330,L,"1,3,5-trimethylbenzene",CC1=CC(=CC(=C1)C)C,Aromatics,,C9H12,NREL (2014),"80% Blend, IQT",PubChem,,8,0,2.7425999999999995,7.521854759999997,43.8018,23.84151599999998,6,6,21,9,12,0,9,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1310.5698569999986,1443.6621449999996,1921.9203479999983,1661.589728999999,1141.1709179999975,363.21263999999985,36.578304,0.0,0.0,4184.657048915133,5188.491512190189,7083.005766428105,7253.75060685952,5603.328987326401,3442.098491115561,1119.0147995134885,0.0,0.0,148.486212,153.276228,257.71684800000014,281.39360400000027,335.80111200000005,213.52896000000015,241.86470400000016,0.0,0.0,30.43545485818798,38.462631720000005,54.171480793641024,58.50642930000004,49.454701511829064,33.406329300000024,16.00606457456401,0.0,0.0,3360.161029100989,2978.619777364801,5482.629356991742,5734.825636197002,7859.610331020131,4593.676431387002,6657.035472872964,0.0,0.0,44.333333333333336,54.0,78.33333333333331,90.0,79.99999999999997,60.0,36.0,0.0,0.0,62.40808842857136,68.7458164285714,53.386676333333284,42.604864846153816,23.774394124999947,12.107087999999996,1.016064,0.0,0.0,199.269383281673,247.07102439000897,196.75016017855847,185.99360530409027,116.73602056930002,114.7366163705187,31.083744430930235,0.0,0.0,7.070772,7.298868000000001,7.158801333333337,7.215220615384622,6.995856500000001,7.117632000000005,6.718464000000004,0.0,0.0,1.4493073741994276,1.8315538914285716,1.5047633553789173,1.500164853846155,1.0303062814964388,1.1135443100000009,0.4446129048490003,0.0,0.0,160.00766805242804,141.83903701737148,152.29525991643726,147.0468111845385,163.74188189625272,153.12254771290006,184.917652024249,0.0,0.0,2.111111111111111,2.5714285714285716,2.1759259259259256,2.3076923076923075,1.666666666666666,2.0,1.0,0.0,0.0,0.04015560224206936,0.002342022650978791,0.005962363959045577,-0.043375965852769684,0.019847947045275274,-0.041208049129519156,0.03635388020595453,0.0,0.0,622.6251891428572,3.907985046680551E-13,229.7783436122452,-533.6787335510198,81.53425095918357,-889.4645559183678,800.5181003265296,0.0,0.0,1157.798126258859,-1.1368683772161603E-13,427.28264183362677,-992.3983939361649,151.61642129580326,-1653.997323226941,1488.597590904247,0.0,0.0,0.12196799999999984,1.8648277366750676E-15,0.04501200000000121,-0.10454399999999758,0.0159719999999987,-0.17423999999999917,0.156815999999995,0.0,0.0,5.175896322080571,9.603429163007604E-15,1.9101522141011698,-4.436482561783334,0.6777959469391148,-7.394137602972241,6.6547238426749935,0.0,0.0,28.11555096916627,4.39648317751562E-14,10.375977143382814,-24.099043687856742,3.681798341200306,-40.165072813094646,36.148565531785096,0.0,0.0,4.285714285714285,-1.2380952380952377,3.3673469387755075,-5.48299319727891,3.061224489795916,-7.074829931972786,5.224489795918363,0.0,0.0,0.0019121715353366364,1.1152488814184719E-4,1.6562122108459938E-4,-0.0011122042526351202,4.134988967765682E-4,-0.0013736016376506386,0.001009830005720959,0.0,0.0,29.648818530612246,1.860945260324072E-14,6.3827317670068116,-13.68407009105179,1.6986302283163244,-29.648818530612257,22.236613897959156,0.0,0.0,55.133244107564714,-5.4136589391245725E-15,11.8689622731563,-25.44611266502987,3.158675443662568,-55.1332441075647,41.34993308067353,0.0,0.0,0.005807999999999992,8.880132079405084E-17,0.001250333333333367,-0.0026806153846153226,3.327499999999729E-4,-0.005807999999999972,0.004355999999999861,0.0,0.0,0.24647125343240814,4.573061506194097E-16,0.05305978372503249,-0.1137559631226496,0.014120748894564892,-0.24647125343240803,0.18485344007430538,0.0,0.0,1.338835760436489,2.093563417864581E-15,0.2882215873161893,-0.6179241971245318,0.0767041321083397,-1.3388357604364882,1.0041268203273637,0.0,0.0,0.20408163265306117,-0.05895691609977322,0.09353741496598632,-0.14058956916099768,0.06377551020408158,-0.2358276643990929,0.14512471655328787,0.0,0.0,0.0583236838750522,0.0866142069495046,-0.5816446025274178,0.21624571286371128,-0.7183464518045014,0.5281063895468872,0.0,0.0,6.276625351538564E-16,0.21527777777777807,-0.461538461538461,0.057291666666666595,-1.0000000000000004,0.749999999999999,0.0,0.0,-9.81922799348166E-17,0.2152777777777779,-0.46153846153846156,0.05729166666666678,-0.9999999999999998,0.7499999999999999,0.0,0.0,1.5289483607791142E-14,0.21527777777778387,-0.4615384615384515,0.05729166666666208,-0.9999999999999966,0.7499999999999771,0.0,0.0,1.8554137419714163E-15,0.2152777777777785,-0.4615384615384603,0.057291666666666026,-0.9999999999999996,0.749999999999997,0.0,0.0,1.5637193744974623E-15,0.2152777777777783,-0.46153846153846034,0.05729166666666606,-0.9999999999999993,0.7499999999999977,0.0,0.0,-0.28888888888888886,0.4583333333333331,-0.6888888888888888,0.31249999999999983,-1.1555555555555554,0.7111111111111108,0.0,0.0,0.988654709318894,0.9096072971098139,1.7425681617670261,0.8753306308268548,1.461474012452282,0.07422609572718038,0.0,0.0,1.1111111111111116,0.8101851851851856,1.4957264957264969,0.8506944444444451,1.944444444444446,0.0,0.0,0.0,1.1111111111111116,0.8101851851851853,1.4957264957264955,0.8506944444444444,1.944444444444444,0.0,0.0,0.0,1.1111111111111112,0.8101851851851852,1.4957264957264955,0.8506944444444443,1.944444444444444,0.0,0.0,0.0,1.1111111111111114,0.8101851851851853,1.4957264957264962,0.8506944444444448,1.9444444444444453,0.0,0.0,0.0,1.1111111111111105,0.8101851851851849,1.495726495726495,0.8506944444444444,1.9444444444444435,0.0,0.0,0.0,1.4444444444444446,0.432098765432099,1.854700854700855,0.4537037037037039,2.333333333333334,0.0,0.0,0.0,29.665225363082044,14.832612681541024,19.7474668970537,29.665225363082044,3.2961361514535605,14.83261425253047,5.329070518200751E-15,1.734723475976807E-18,1.927470528863119E-19,-36.8061152877331,291.90791456455923,32.43421272939547,5.108794552306119,29.665225363082044,14.832612681541024,19.7474668970537,29.665225363082044,3.2961361514535605,14.83261425253047,5.329070518200751E-15,1.734723475976807E-18,1.927470528863119E-19,-36.8061152877331,291.90791456455923,32.43421272939547,5.108794552306119,29.665225363082044,14.832612681541024,19.7474668970537,29.665225363082044,3.2961361514535605,14.83261425253047,5.329070518200751E-15,1.734723475976807E-18,1.927470528863119E-19,-36.8061152877331,291.90791456455923,32.43421272939547,5.108794552306119,29.665225363082044,14.832612681541024,19.7474668970537,29.665225363082044,3.2961361514535605,14.83261425253047,5.329070518200751E-15,1.734723475976807E-18,1.927470528863119E-19,-36.8061152877331,291.90791456455923,32.43421272939547,5.108794552306119,29.665225363082044,14.832612681541024,19.7474668970537,29.665225363082044,3.2961361514535605,14.83261425253047,5.329070518200751E-15,1.734723475976807E-18,1.927470528863119E-19,-36.8061152877331,291.90791456455923,32.43421272939547,5.108794552306119,29.665225363082044,14.832612681541024,19.7474668970537,29.665225363082044,3.2961361514535605,14.83261425253047,5.329070518200751E-15,1.734723475976807E-18,1.927470528863119E-19,-36.8061152877331,291.90791456455923,32.43421272939547,5.108794552306119,31.846325665006244,15.889829499169792,21.13524662595107,31.794473813154397,3.532719312572711,15.889830020922115,-0.06666666666665932,3.3306690738754696E-16,3.700743415417188E-17,-32.074369452908094,42.05922377741873,4.673247086379859,3.3651708434808216,0,11.890000000000006,12.110134441590954,-0.15494059496398788,0.06542733154194977,6.076417200479811,8.135950041075526,9.0,21.0,18.0,15.0,3.0,3.0,0.0,0.0,0.0,6.0,13.118483999999997,3.831659837740532,2.9789818692303696,2.978981869230367,2.2386370604575294,2.024738678685835,2.024738678685833,0.4413655887573252,0.4413655887573251,2.0076215226665486,1.4939169775120515,1.493916977512051,1.1145237931681575,0.7833230181240912,0.7833230181240912,0.08392307051869108,0.08392307051869122,3.841767026665108,3.008518800164741,3.0085188001647367,2.30750999407763,2.082600026910615,2.0826000269106144,0.545672475938066,0.5456724759380657,1.9775121656886712,1.4123008547197748,1.412300854719774,1.0056376630694484,0.6826626445077714,0.682662644507771,0.2709139018929365,0.27091390189293707,3.888629993743566,3.149926771892168,3.1499267718921664,2.5943232637888736,2.3241566227011057,2.3241566227011052,0.9637200066827345,0.9637200066827345,1.8985318941337623,1.180117151125875,1.1801171511258706,0.6481527848470945,0.3698493965448941,0.36984939654489296,0.9439184268026211,0.9439184268026214,3.8493316760513356,3.0309373633066894,3.030937363306681,2.357458751917583,2.124567978492839,2.1245679784928377,0.6211141506828718,0.6211141506828708,1.9592680935522924,1.3607318946307858,1.3607318946307845,0.9331308696580618,0.6173331068336424,0.6173331068336424,0.3992772455089813,0.3992772455089814,3.913151999710756,3.224500232294662,3.22450023229466,2.7235903314432304,2.434292051602586,2.4342920516025846,1.207644822962089,1.2076448229620884,1.8763432069411303,1.1124632204894098,1.1124632204894078,0.5243189502189541,0.2649880183760785,0.2649880183760783,1.1339486008924133,1.1339486008924138,3.8383146383888667,3.0554663049784674,3.055466304978467,2.442311884212655,2.193688615603935,2.1936886156039335,0.6575508414023544,0.6575508414023541,1.960646186607101,1.3069968002576655,1.3069968002576637,0.8396388266640253,0.5408854323153263,0.5408854323153262,0.529411764705882,0.529411764705882,0,0,0,3,3,3,0,0,0,0.0,0.0,0.0,0.06804138174397717,0.2041241452319315,0.0,0.0,0.0,0.024056261216234408,0.07216878364870322,0.8660254037844388,0.0,0.0,0.0,0.5,0.0,0.0,0.0,0.9999999999999999,1.99578191578136,1.7474002407106248,0.49999999999999994,0.9136751345948128,0.6830127018922192,6.8533711511285205,4.181540550352056,4.022621927754165,2.414213562373095,2.349335306374634,0.9855985596534886,0.6969234250586759,0.0,0.7614856834587245,0.46461561670578405,0.33521849397951375,0.20118446353109123,0.15662235375830894,0.08213321330445739,0.07743593611763065,0.0,6.232050807568878,3.2320508075688776,2.6650635094610973,1.3660254037844386,1.2023502691896255,0.39433756729740643,0.2693375672974065,0.0,0.6924500897298753,0.35911675639654195,0.22208862578842478,0.11383545031536989,0.08015668461264171,0.032861463941450536,0.029926396366378498,0.0,12.250966822715249,20.32702112163146,19.352941176470594,19.560000000000002,13.79132694610778,158.3976143712575,0.58337937251025,0.9679533867443553,0.9215686274509807,0.9314285714285715,0.656729854576561,7.542743541488453,1.77066,37.362,36.232406093403505,46.5962927655083,72.46481218680702,8.051645798534114,36.232406093403505,0.0,0.0,0.0,50.966159244386205,5.662906582709578,3.5380456814283305,63,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1533333333333333,0.0,0.0,0.0,0.0,1.1533333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.375,0.0,0.0,0.0,0.0,6.5625,0.0,0.0,0.0,0.0,4.062500000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3541666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3844444444444445,0.0,0.0,0.0,0.0,0.3844444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.125,0.0,0.0,0.0,0.0,2.1875,0.0,0.0,0.0,0.0,1.3541666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3844444444444445,0.0,0.0,0.0,0.0,0.3844444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.125,0.0,0.0,0.0,0.0,2.1875,0.0,0.0,0.0,0.0,1.354166666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.0,1.8888888888888888,0.3844444444444445,2.1875,0.15625,1.3541666666666667,5.5286875,0.31249999999999994,0.18749999999999994,1.8749999999999996,0.31249999999999994,0.18749999999999994,1.8749999999999996,4.5,0.5,0.0,0.0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,-0.0,0.0,0.71429,0.0,0.0,0.33333,0.33333,0.0,10.5,1.16667,4.5,0.5,6.0,0.66667,1.5,0.16667,0.0,0.0,5.71523,0.63503,10.39611,4.68088,0.5201,2.05974,0.22886,4.18152,2.12178,0.23575,0.23248,0.02583,0.31848,0.03539,0.2857142857142857,9.0,0,0,0,0,0,0,0.3333333333333333,0.9852281360342516,2.128085278891394,2.1280852788913944,2.128085278891394,2.128085278891394,2.1280852788913944,20.689790856719284,44.68979085671927,44.689790856719284,44.68979085671927,44.68979085671927,44.689790856719284,0.22430713475415348,0.4845017046935282,0.4845017046935283,0.4845017046935282,0.4845017046935282,0.4845017046935283,3.407089286744509,2.2642321438873667,2.2642321438873663,2.2642321438873667,2.2642321438873667,2.2642321438873663,0.2148824850539754,0.46414453303743985,0.46414453303743997,0.46414453303743985,0.46414453303743985,0.46414453303743997,6.751545309820625,15.369996114525957,15.369996114525957,15.369996114525957,15.369996114525955,15.369996114525957,33.825801216467084,27.57483227619536,27.574832276195362,27.57483227619536,27.574832276195366,27.574832276195362,7.111111111111111,2.7222222222222223,2.0,0,6,0,2.45,1.1391000000000002,0.75,3.5716523669284492,4.326748710922225,0.0,1.5000000000000004,6.240251469155711,0.0,1.5000000000000004,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.125,0.1,0.5050000000000001,0.68,4.372,12.0,12.0,15.0,12.0,9.0,0.0,0.0,0.0,0.0,78.0,2.5649493574615367,3.1570004211501135,3.548179572010801,4.066887715989061,4.342993403944672,4.123093975508087,0.0,0.0,0.0,0.0,5.606950303877661,3.4783653846153846,0.25,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.3333333333333333,0,3.0,4.0,0.3333333333333333,3.0,0.666666666666667,0.9375,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.3333333333333333,0.05555555555555558,0.10416666666666667,0.05555555555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.5486111111111112,19.13022188119751,25.9586490059437,38.26044376239503,4.2511604180438916,19.130221901681278,4.440892098500626E-16,4.9343245538895844E-17,-31.815455587701493,34.85310703607327,3.8725674484525854,3.196028059004401,0.0,133.0544855304002,4.169925001442312,3.7612001156935624,4.51085950651685,5.351858133476067,6.111467339502679,6.957497370876951,7.719129840906732,8.566173813637858,9.328212292571072,10.17545936253226,80.48185777571403,2.9444389791664403,0.0,4.204692619390966,0.0,5.645446897643238,0.0,7.181591944611865,0.0,8.760766624241956,8.995660899074103,120.093900384,5.7187571611428565,17.381716180560105,1.9313017978400115,0.0,0.0,0.0,84.0,9.0,3.2579999999999996,42.0,1.233300178141001,2.143634967678706,3.067216359082984,3.7768333109101015,5.127024075370118,5.718497301095881,0.0,0.0,0.0,0.0,94.09564805436919,126.61046960566104,139.93222910463322,105.48820585786255,62.07333165862463,5.8103592417406835,0.0,0.0,0.0,0.0,326.46854650432726,454.73669920829155,592.1040207714666,491.8880051535669,588.2573944581542,177.7523086362288,0.0,0.0,0.0,0.0,9.031490446075068,15.413416227606856,22.160253860253004,26.562617148167803,36.49227062362476,38.419518251509835,0.0,0.0,0.0,0.0,2.3768966863031515,3.4215070756734347,4.718641821894762,4.221324940316035,5.709168486361405,2.542517696411405,0.0,0.0,0.0,0.0,173.07509778245284,321.71285893156994,449.18083399383,607.9603435253331,785.062988606048,1057.4510940256548,0.0,0.0,0.0,0.0,3.2652863080890517,4.896798955325246,7.171554172813797,6.68864151360552,10.254048150740235,5.718497301095881,0.0,0.0,0.0,0.0,0.48917420734717043,0.7095664688300048,0.9869856780228599,0.8970487674997286,1.2304857780888283,0.5855741236322182,0.0,0.0,0.0,0.0,274.1143001015275,119.6860575951175,9.372117195184648,99.37773861161808,-43.39113188453599,-4.660144438261514,174.73656148990938,163.0771894796535,14.032261633446161,0.7339227391458709,0.32045142918572467,0.02509321812447721,0.266077260854129,-0.11617685890719034,-0.012477225630612869,102.3795087853465,44.7017896567394,3.500411158288042,37.11679419675533,-16.206242309626322,-1.7405268469440196,0.14264372205607573,0.12802816381618634,2.7390358923913576,1.5380516045203951,373.4920387131456,0.0,1.0,0.0,669.153056512645,25.86799289687248,8.746651481774649,786.034426374913,28.036305505093086,9.228841539673093,1134.6651319718273,33.68479081086637,10.430118351393574,1.160669060303461,1.0599640035980977,538.2183018154037,282.83589006882926,265.49636213324055,1.9029349552647867,2.0272153542551985,1.065309851314975,4.237581030331934,4.355172233790399,6.54925274014049,0.5037873104826756,3.5919012777836516,3.8711626572502364,3.7105007800951877,8.942055073940946,0.17254455780270636,6.025544479262652,6.741029972941809,3.8566998076431482,8.593259789112475,3.7043567438503917,5.45550977687527,2.5562341235930237,1.5007972053978169E-9,5.53653308324128E-40,3.93955335994741E-92,5.4066963604528513E-166,1.431175451329311E-261,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3015529923041089,3.87097996320279,0.27466693786852225,5.369459263656868,0.014936667238227085,0.29676375135583555,0.6430554579005685,0.2800067545437468,2.3452945224061197,0.15141268943469596,0.04465924782135861,0.018003765943677863,1.0570237430728375E-11,3.8994255201475E-42,2.7746596432813715E-94,3.8079804546739425E-168,1.007988572418131E-263,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9731832251067332,3.8709925715307465,0.9102193899457415,5.961449222246259,0.04710547455733387,0.7697693053561092,1.8846272960707635,0.9319785079679563,3.4359306345156657,0.5938568284896775,0.4164241332017108,0.1876131221096286,1.1015002372408609E-10,4.0635020392815927E-41,2.8914092756821534E-93,3.968209230606538E-167,1.0504018087871268E-262,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.390468513483529,3.8711427406745136,3.4768926604798267,8.674787749633627,0.16289509379766237,5.428483270860569,6.36660029151014,3.6101053576512268,8.145420685010993,3.386807208874458,4.865054604935739,2.277558582851795,1.337183290343239E-9,4.932951299959519E-40,3.5100711177969405E-92,4.8172691174759806E-166,1.275151560906406E-261,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4342363244622849,3.871008555771576,1.3660360298649066,6.4085850303052245,0.06918904211062493,1.3012367039472446,2.737864154864797,1.402728426293429,4.239461406894653,0.9815463185591674,0.8891843726540717,0.40752077133093045,2.3926057050492476E-10,8.826469421393724E-41,6.280527316052407E-93,8.61948070729484E-167,2.2816130903370634E-262,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.337716138123882,3.871246314096858,4.601866512126849,9.986756879312978,0.20827311292639417,8.515904587894065,8.12864174298448,4.801101969223844,10.325598653721324,4.993688608585612,7.936009343530815,3.7280272303568736,2.1887716767907983E-9,8.074513169820012E-40,5.745468330062135E-92,7.885158511892513E-166,2.087234891643835E-261,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0134980246997167,3.616537559240196,1.6433217218047533,7.4975458823454595,0.09690233757935188,2.020948544228986,3.2004014867284516,1.7536942921161078,5.494803140250724,1.4951264951964547,1.5517858395657482,0.7164531626679411,4.206386631045785E-10,1.5517618676212586E-40,1.1041654745873363E-92,1.5153716442791728E-166,4.0112529950752316E-262,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.6799972325511985,3.4722272599976063,0.23891789684903353,0.4978928883618775,0.4697822172900245,0.5368997524786759,0.5157606814731651,0.2857283485788305,7.391142389397839,14.486581141131929,24.930565457090324,0.451512658477853,1.3383887825306715,2.312861850583406,2.168451909280343,0.042080398425642054,0.5113111459334023,0.4793860170921707,0.21213395349474823,0.20129639859260745,0.008863710765173295,4.523394158289391,5.203905164284634,9.938346394409212,0.4860457445383595,0.42229406285252896,2.7911983382598247,2.624652787877327,0.11095278535146327,0.5050293773690318,0.4748952251447602,0.30891761352469105,0.29481785797729876,0.061621510815323965,5.526803911488615,7.926830267525988,14.266466129473274,0.469886903770688,0.6653569823173138,3.63879205958105,3.4329351704324775,0.2329855084742129,0.49814307418396464,0.4699616936809457,0.5249464952072924,0.5041620265434608,0.27171510468948257,7.304712738487741,14.139347203701856,24.354453694596977,0.4521571517973655,1.3008236264402357,3.0294685987456313,2.8518813211395146,0.14525854366843216,0.5026821664401459,0.47321496632583765,0.36389349512934627,0.34803178112081956,0.10561833290613405,6.026608463553578,9.494001233908332,16.775597745205072,0.4638456991489752,0.8175436091562999,3.812009072012274,3.598109055496178,0.2579238251717697,0.49712939698769604,0.46923439878136364,0.576101297687546,0.553807610268056,0.3329959040927247,7.668041952680222,15.627270374062597,26.833001796246435,0.44954569365358965,1.4629048120483268,3.640228379710942,3.434249531676466,0.23268538533065525,0.49817257831721273,0.4699839585108114,0.5253604243650706,0.5045465249549127,0.2710155409550286,7.3071632967180635,14.147580227042072,24.363648841096193,0.45223480524203624,1.3009224902750118 +UMLCN0331,L,n-propylbenzene,CCCC1=CC=CC=C1,Aromatics,,C9H12,NREL (2014),"80% Blend, IQT",PubChem,,16,0,1.0335000000000008,1.0681222500000016,43.4114,23.84151599999998,6,6,21,9,12,0,9,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1310.5698569999986,1443.6621449999996,1701.9703779999986,1446.800887999998,977.6872609999998,648.7734989999999,289.63485700000035,56.556864,3.0481920000000002,4184.657048915133,5188.49151219019,6800.0566834288375,6462.249812549583,4847.489258190042,3531.9106278561117,2058.6246149961976,707.6164209295163,93.25123329279079,148.486212,153.276228,258.4677520000001,318.08816,274.1137160000002,210.80593200000015,166.45603600000004,82.21823999999998,20.155392,30.43545485818798,38.46263172,53.49649503424502,54.14729979788606,42.43996686788606,31.743082318490004,20.373242268187987,8.011080478792003,1.3338387145469999,3360.161029100989,2978.6197773648005,5408.105322992145,7125.020574456188,6285.269863047488,4832.642899631791,4030.154205222889,2091.831407045592,554.7529560727469,43.27777777777778,52.416666666666664,76.33333333333331,82.83333333333333,67.66666666666667,53.5,37.5,16.0,3.0,62.40808842857136,68.7458164285714,47.276954944444405,32.151130844444396,25.068904128205123,21.6257833,12.068119041666682,4.7130719999999995,1.016064,199.269383281673,247.07102439000906,188.8904634285788,143.60555138999072,124.29459636384723,117.73035426187039,85.77602562484157,58.96803507745969,31.083744430930263,7.070772,7.298868000000001,7.17965977777778,7.068625777777778,7.028556820512825,7.026864400000005,6.935668166666669,6.851519999999998,6.718464,1.4493073741994276,1.8315538914285714,1.4860137509512505,1.2032733288419126,1.0882042786637451,1.0581027439496669,0.8488850945078328,0.6675900398993336,0.44461290484899996,160.00766805242804,141.83903701737145,150.22514786089292,158.33379054347085,161.16076571916636,161.08809665439304,167.92309188428703,174.319283920466,184.91765202424895,2.060846560846561,2.496031746031746,2.12037037037037,1.8407407407407406,1.735042735042735,1.7833333333333334,1.5625,1.3333333333333333,1.0,0.05227690601963988,-0.0011724143060231657,-0.019610676977574487,-0.009912737401962645,-0.0017431494022415485,-0.0014917508653822693,2.8086238392228784E-6,0.0035305919739282484,0.0042588753455967045,622.6251891428572,4.050093593832571E-13,-116.12453924489753,-54.35616730612231,-84.00498583673465,-163.0685019183673,-19.76587902040832,59.29763706122428,66.70984169387745,1157.798126258859,-2.8421709430404007E-14,-215.93853942129527,-101.07761419720204,-156.21085830476676,-303.2328425916061,-36.755496071709715,110.2664882151295,124.04979924202065,0.12196799999999984,1.8769708010069053E-15,-0.0227479999999984,-0.010647999999999935,-0.016456000000000526,-0.0319440000000004,-0.0038720000000012,0.011615999999998999,0.013067999999999583,5.175896322080571,1.0158540675320182E-14,-0.965345742610257,-0.4518639646260816,-0.6983352180584932,-1.3555918938782474,-0.16431416895494522,0.4929425068648109,0.5545603202229161,28.11555096916627,4.39648317751562E-14,-5.243773395042876,-2.454532227466898,-3.7933679879033995,-7.363596682400699,-0.8925571736243558,2.677671520872955,3.0123804609820897,4.145502645502643,0.08862433862433816,-0.14361300075585837,-0.5340136054421774,-0.4897959183673475,-1.1681783824640972,-0.3647014361300076,0.1390778533635677,0.39984882842025704,0.0024893764771257085,-5.5829252667769794E-5,-5.447410271548469E-4,-2.2028305337694766E-4,-4.469613851901406E-5,-4.972502884607564E-5,1.1702599330095326E-7,2.94215997827354E-4,0.0014196251151989015,29.648818530612246,1.9286159970631292E-14,-3.225681645691598,-1.2079148290249402,-2.153973995813709,-5.435616730612243,-0.8235782925170133,4.941469755102023,22.23661389795915,55.133244107564714,-1.3534147347811431E-15,-5.998292761702647,-2.2461692043822676,-4.005406623199148,-10.107761419720202,-1.5314790029879048,9.188874017927459,41.34993308067355,0.005807999999999992,8.937956195270978E-17,-6.318888888888445E-4,-2.366222222222208E-4,-4.2194871794873145E-4,-0.0010648000000000135,-1.6133333333338332E-4,9.679999999999165E-4,0.004355999999999861,0.24647125343240814,4.837400321581039E-16,-0.026815159516951584,-0.010041421436135147,-0.017906031232269057,-0.04518639646260825,-0.006846423706456051,0.04107854223873424,0.18485344007430538,1.338835760436489,2.093563417864581E-15,-0.14566037208452431,-0.054545160610375516,-0.09726584584367691,-0.24545322274668996,-0.03718988223434816,0.2231392934060796,1.0041268203273632,0.19740488788107824,0.00422020660115896,-0.003989250020996066,-0.011866969009826164,-0.01255886970172686,-0.03893927941546991,-0.01519589317208365,0.011589821113630642,0.13328294280675235,-0.022427002577059593,-0.21882629331494988,-0.08848924837246457,-0.017954752497147904,-0.019974893031643536,4.7010162736041506E-5,0.118188630980824,0.5702733709599576,6.504866273412694E-16,-0.10879629629629589,-0.04074074074074063,-0.07264957264957261,-0.18333333333333326,-0.027777777777777995,0.16666666666666607,0.7499999999999988,-2.454806998370415E-17,-0.10879629629629638,-0.040740740740740765,-0.07264957264957268,-0.1833333333333334,-0.027777777777777707,0.1666666666666668,0.7500000000000003,1.5389043035934902E-14,-0.10879629629628881,-0.04074074074074055,-0.07264957264957507,-0.1833333333333359,-0.027777777777786422,0.16666666666665253,0.7499999999999771,1.9626630912183192E-15,-0.10879629629629538,-0.040740740740740744,-0.07264957264957302,-0.18333333333333368,-0.02777777777777887,0.16666666666666485,0.749999999999997,1.5637193744974623E-15,-0.10879629629629546,-0.040740740740740765,-0.0726495726495729,-0.18333333333333354,-0.027777777777778703,0.16666666666666524,0.7499999999999973,0.021378430121250697,-0.02020846628376949,-0.060114869176770995,-0.06361985175003693,-0.19725590299936205,-0.07697830248883222,0.05871091257179329,0.6751754945756226,1.081037450128221,1.1358845450855133,0.9848998711819246,0.967972222529051,1.0410648750200735,0.9520165502415234,0.78266315759334,0.2875525649634729,1.1111111111111116,1.13425925925926,0.9938271604938278,0.9971509971509979,1.1018518518518525,0.891203703703704,0.6481481481481483,0.0,1.1111111111111116,1.134259259259259,0.993827160493827,0.9971509971509972,1.1018518518518519,0.891203703703704,0.6481481481481484,0.0,1.1111111111111112,1.134259259259259,0.993827160493827,0.997150997150997,1.1018518518518519,0.8912037037037037,0.6481481481481483,0.0,1.1111111111111114,1.1342592592592595,0.9938271604938276,0.9971509971509974,1.1018518518518523,0.8912037037037039,0.6481481481481481,0.0,1.1111111111111105,1.134259259259259,0.9938271604938271,0.9971509971509971,1.1018518518518516,0.8912037037037032,0.6481481481481479,0.0,1.0912571793235488,0.9734630929589456,0.9783024888321641,0.9604339502233574,1.2061263560944488,1.0302329291640084,0.8040842373962992,0.0,35.355140388764454,17.677570194382227,27.44812675907312,35.35514038876445,3.9283489320849387,17.677570289540363,-3.552713678800501E-15,0.3166157517492988,0.03517952797214431,-1.035059741939131,42.45923777579417,4.717693086199352,3.3736900540780574,35.355140388764454,17.677570194382227,27.44812675907312,35.35514038876445,3.9283489320849387,17.677570289540363,-3.552713678800501E-15,0.3166157517492988,0.03517952797214431,-1.035059741939131,42.45923777579417,4.717693086199352,3.3736900540780574,35.355140388764454,17.677570194382227,27.44812675907312,35.35514038876445,3.9283489320849387,17.677570289540363,-3.552713678800501E-15,0.3166157517492988,0.03517952797214431,-1.035059741939131,42.45923777579417,4.717693086199352,3.3736900540780574,35.355140388764454,17.677570194382227,27.44812675907312,35.35514038876445,3.9283489320849387,17.677570289540363,-3.552713678800501E-15,0.3166157517492988,0.03517952797214431,-1.035059741939131,42.45923777579417,4.717693086199352,3.3736900540780574,35.355140388764454,17.677570194382227,27.44812675907312,35.35514038876445,3.9283489320849387,17.677570289540363,-3.552713678800501E-15,0.3166157517492988,0.03517952797214431,-1.035059741939131,42.45923777579417,4.717693086199352,3.3736900540780574,35.355140388764454,17.677570194382227,27.44812675907312,35.35514038876445,3.9283489320849387,17.677570289540363,-3.552713678800501E-15,0.3166157517492988,0.03517952797214431,-1.035059741939131,42.45923777579417,4.717693086199352,3.3736900540780574,42.52555330324448,20.933705206205293,33.67217424897286,42.480285813532554,4.720031757059172,20.933705209898054,-0.1358024691357862,0.4463148790160485,0.04959054211289428,-0.7260575123746502,36.50784148750533,4.0564268319450365,3.2377743655098947,0,11.849999999999998,12.150097156670702,-0.21004422278947843,0.09007269762404457,5.287292423627707,8.444005921879661,9.0,21.0,18.0,15.0,3.0,3.0,0.0,0.0,0.0,6.0,13.118483999999997,3.7827712816382904,3.217181511605479,2.6669359327645212,2.6191819138397174,2.057455151088963,1.358834671889144,0.941428501144052,0.7492635182262994,1.9869930949806713,1.7040830389167072,1.2318163146829142,1.0822503020169474,0.8591237339841917,0.6145014995996791,0.31051397192943425,0.2324100735654798,3.7950096571767316,3.249844489544061,2.700116221252555,2.6458150318986795,2.119778364187484,1.4647656716488482,1.0533366226901486,0.8760097666110294,1.9531680845473243,1.63419577329601,1.142552134433718,1.0071675921888013,0.7566384717903413,0.4682458817112885,0.1501562586141573,0.06450700170986177,3.850861646933,3.3950685574943367,2.8559193814678574,2.7718202154797895,2.3801382857562183,1.8926721901427246,1.5177937868953861,1.3899655840993481,1.8624804486873061,1.4241786058761845,0.8888935232360143,0.7986202314843517,0.42905666797138287,0.029582283448807072,0.39684308271442165,0.5175279753200079,3.8041242364543715,3.274026461489773,2.7250916020286198,2.665925019264035,2.1650545359886344,1.5408964106511174,1.134811365366185,0.967572151174732,1.9325001263240984,1.5891885395461909,1.0861482507337246,0.9602789912487909,0.6894113840093762,0.36961217990190065,0.041902902363462356,0.0494376025091581,3.8795252947977694,3.46604685834251,2.9373352306364744,2.8380785876458865,2.4976669137600567,2.0780513985252487,1.7214642273785619,1.60983008103817,1.8363578164561458,1.3581325318203825,0.8149302714463819,0.7385642758080618,0.31654088842572503,0.20964688226578015,0.5943111067077903,0.7323735275728208,3.840167168754424,3.2478663307871667,2.760003470980357,2.75600698656636,2.2025099770364815,1.5794109621659607,1.2546133185716273,1.084563756412443,1.9137396336881842,1.5748746177726327,1.0353030118150002,0.8593581899632154,0.6180190056686199,0.2949321583931725,0.08873788482523116,0.18083373380033377,0,0,0,5,1,1,2,0,0,0.0,0.0,0.0,0.10206207261596577,0.07216878364870323,0.0,0.0,0.0,0.032075014954979206,0.022680460581325723,0.20412414523193154,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.4330127018922194,0.6546479303772353,0.637136847124151,0.21941609682128765,0.29740950839602887,0.24250244274579608,6.52709773749546,4.431851652578137,3.2927109793486995,2.421668296450265,1.8840630914371586,1.3092958607544707,0.49279927982674443,0.24639963991337224,0.72523308194394,0.49242796139757083,0.32927109793486997,0.22015166331366046,0.15700525761976322,0.10910798839620589,0.0821332133044574,0.06159990997834306,5.800964908321225,3.471343774302781,2.235598559653489,1.3814997966723015,0.9333523724371702,0.5339092213933182,0.19714152158314463,0.08763057051053477,0.6445516564801361,0.3857048638114201,0.22355985596534889,0.12559089060657286,0.07777936436976418,0.04449243511610985,0.03285692026385744,0.021907642627633693,12.250966822715249,20.32702112163146,19.352941176470594,19.560000000000002,13.79132694610778,158.3976143712575,0.58337937251025,0.9679533867443553,0.9215686274509807,0.9314285714285715,0.656729854576561,7.542743541488453,2.639100000000001,40.43700000000001,37.5046319563535,54.266871783488,75.00926391270698,8.334362656967443,37.5046319563535,0.13643752829959288,0.015159725366621432,-1.7926995935285996,35.32189190055228,3.92465465561692,3.2080526449825744,81,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,3.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,2.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.01601851851852,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0560090702947846,0.0,0.8998937074829931,0.0,0.0,2.0560090702947846,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.201388888888889,0.0,2.449259259259259,0.0,0.0,10.571574074074075,0.0,0.0,0.0,0.0,1.4444444444444446,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4444444444444446,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.39659722222222227,0.0,0.2546159297052154,0.0,0.0,0.39659722222222227,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.201388888888889,0.0,1.2091666666666667,0.0,0.0,2.0547222222222223,0.0,0.0,0.0,0.0,1.4444444444444446,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.170138888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.42795351473922905,0.0,0.35930555555555554,0.0,0.0,0.42795351473922905,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.201388888888889,0.0,1.2400925925925925,0.0,0.0,2.170138888888889,0.0,0.0,0.0,0.0,1.4444444444444446,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.666666666666668,1.851851851851852,0.42795351473922905,2.201388888888889,0.1440972222222222,1.2091666666666667,5.581332499999999,0.29083333333333333,0.2013888888888889,1.5459259259259255,0.29083333333333333,0.2013888888888889,1.5459259259259255,4.5,0.5,0.0,0.0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,-0.0,0.0,0.71429,0.0,0.0,0.11111,0.11111,0.0,10.5,1.16667,4.5,0.5,6.0,0.66667,1.5,0.16667,0.0,0.0,5.09633,0.56626,9.45555,4.35922,0.48436,2.44966,0.27218,4.43185,1.98218,0.22024,-0.01785,-0.00198,0.06815,0.00757,0.2857142857142857,9.0,0,0,0,0,0,0,0.3333333333333333,0.9852281360342516,2.3508524035751006,3.1009166856947723,3.5585186130489057,3.784941827437642,3.7849418274376423,20.689790856719284,49.367900475077114,65.11925039959021,74.72889087402702,79.48377837619049,79.48377837619049,0.22430713475415348,0.5352191513717728,0.70598647302066,0.8101688176255806,0.8617186471562276,0.8617186471562277,3.407089286744509,2.04146501920366,1.2914007370839884,0.833798809729855,0.6073755953411188,0.6073755953411184,0.2148824850539754,0.5127309990442324,0.6763232382395793,0.7761281826163672,0.8255120574797107,0.8255120574797108,6.751545309820625,16.984242909575908,20.281333330497922,23.231399596954834,23.459594580241703,23.459594580241703,33.825801216467084,25.971281574429597,21.07585090297736,17.006340360656196,16.430662168742764,16.430662168742764,7.111111111111111,3.92,2.3801652892561984,3,6,3,2.45,1.1391000000000004,0.0,2.085481946770769,0.33333333333333337,0.0,9.563073857754226,4.445544946128441,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.13299999999999998,0.124,0.553,0.664,4.417999999999999,10.0,11.0,12.0,12.0,6.0,4.0,2.0,0.0,0.0,75.0,2.5649493574615367,2.970414465569701,3.392829131991639,3.8204558119026557,4.218588164881428,3.498399709618518,3.2700441114426,2.7842393394597567,0.0,0.0,5.5348706047721645,3.365,0.5,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.2222222222222222,3.0,0.3333333333333333,0,3.0,6.0,1.0,1.0,0.44444444444444464,0.1875,0.15111111111111114,0.09027777777777779,0.04,0.0,0.0,0.0,0.0,0.1111111111111111,0.04444444444444447,0.0234375,0.030222222222222227,0.030092592592592598,0.04,0.0,0.0,0.0,0.0,0.27930787037037036,21.584303800340436,32.83143626202035,43.16860760068087,4.796511955631208,21.584303802155944,0.1321491349920785,0.014683237221342056,-1.8214417652448018,74.38584677350923,8.26509408594547,3.8783391229834896,0.0,133.0544855304002,4.169925001442312,3.6635616461296463,4.394449154672439,5.153291594497779,5.905361848054571,6.673297967767654,7.430707082545968,8.200562797008564,8.95944014361693,9.729669736233394,78.11034197052693,2.9444389791664403,0.0,4.07753744390572,0.0,5.43372200355424,0.0,6.88653164253051,0.0,8.379997952238393,8.639410824140487,120.093900384,5.7187571611428565,17.70058553174531,1.966731725749479,0.0,0.0,0.0,94.0,8.0,3.507,38.0,1.2346335114743343,2.1664491370317407,2.9586665319611565,3.782312058060464,4.7225985897979275,5.575264778837041,6.787610532942602,7.865256659300101,0.0,0.0,94.43903682484539,111.15831130353224,102.41545834013405,107.38886263542011,114.00984274664587,74.34291480131141,32.63329358509974,7.991604142275098,0.0,0.0,327.3861274613783,432.37472922228017,447.5452097412323,507.2652263674558,590.8444670738419,508.5544907472738,405.10027992214003,244.48162788135664,0.0,0.0,9.042027763408404,15.599600571040822,20.972492644117892,26.673383776655093,33.26775781600166,38.77791974909418,46.52858368096914,52.842443716268,0.0,0.0,2.382529911853628,3.355214785136964,3.7040207740286797,4.346417110545044,5.212510633096114,4.948853680538325,4.570110079511019,3.4969946106743586,0.0,0.0,173.21406756205147,322.3090639890457,464.12000621245704,603.0726964161604,754.7526435750838,927.7201055929709,1181.3686760955268,1454.424794005863,0.0,0.0,3.173893953392774,4.723268280132793,5.5884187963374305,6.801800452466157,8.672114792478228,9.009545079652804,9.1081038324392,7.865256659300101,0.0,0.0,0.49029277877574173,0.6991910324662254,0.7816213322289954,0.9228697006791649,1.1116889805039432,1.0731169062989692,1.0143511965840544,0.8054022819123303,0.0,0.0,268.80500851696064,132.8104994657379,11.290966323861,82.11242896042242,-40.56990144173794,-4.866745460417801,186.69257955653822,173.38040090747586,16.1577117842788,0.7660064157805934,0.37846651457523445,0.03217556358848287,0.23399358421940672,-0.11561095890070355,-0.0138686338741188,94.32836476985794,46.6055201426081,3.9621969690127297,28.81468315583509,-14.236685852644666,-1.7078258458245013,0.12554465294698,0.1315182764874334,3.057812664525034,1.1663724274569829,350.91743747738303,0.0,1.0,0.0,664.8026546986803,25.783767271263528,8.727655225120495,782.1086491481598,27.966205483550315,9.213451687744083,1090.5825157966178,33.02396880746797,10.293257647312469,2.1104221153813563,2.1104221153813563,623.6686470483247,553.1776619767729,111.34750865036591,1.1274291966520362,5.6011010448977405,4.968029089126414,4.201869871600454,4.443439900639552,7.963231373116322,0.7921321208755767,3.7552179358419915,3.7698741262563673,3.7773870503693843,11.895049886643013,3.79637213835546,4.371070036102421,2.6460838825867103,7.427906737500988,4.514606055110536,2.005039305253646,3.9881604719193975,2.0749192602129423,1.7327911071664355,1.2715914761697136,1.7181417541120616,4.994004318472114E-13,2.926165982772149E-47,3.4364621095254113E-103,8.028906669003418E-181,3.7040493977200253E-280,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3152590276833196,3.769728570870487,0.2991810187440639,4.127939627755106,0.961062659437916,1.1672596030902571,0.2802572607175675,1.5301884318197798,0.5108441193426573,0.15851382129744404,1.1122477087630074,0.32148525967129865,0.0826996953753718,0.06848812673779876,0.01210101285856708,3.517318075118657E-15,2.0609226275460418E-49,2.4203283620691993E-105,5.6548246155634835E-183,2.6087922770797597E-282,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0174279781600473,3.7697386494369995,0.9768995919958161,4.812217599471733,1.2440617280238533,1.5747265635011995,0.7597908460868608,2.4787904097815323,0.928602370871401,0.4771132911726927,1.6832625956532716,0.6023254082477771,0.30829365206146714,0.24627736555845667,0.12610188391618257,3.6653166209226724E-14,2.147640275872776E-48,2.5221687615736913E-104,5.8927632386867034E-182,2.7185626916589203E-281,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.5446261164266675,3.7698582701703933,3.5530421590970183,11.10075423803833,3.518170663121353,4.087731858089789,2.5000532092141747,6.976554339480976,4.1281705504097435,1.871366158416944,3.8064317300493102,1.9403093729392251,1.5924260154995373,1.173956564136132,1.5308333702758228,4.4495679379898447E-13,2.60716120929646E-47,3.06182587109563E-103,7.153611293319898E-181,3.3002413273579254E-280,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4994449498166347,3.7697513973201957,1.4517100450633909,5.549524495649052,1.5261454326098005,1.9276305289054432,1.0899798245103487,3.2057643628417547,1.3339986243672588,0.7131369919313332,2.0800031493564037,0.817997968601905,0.49618180001817785,0.38845230044813883,0.2739101424354282,7.9615574845435E-14,4.6649616611232175E-48,5.478487579044123E-104,1.2799869184506858E-181,5.905081438647815E-281,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.5349446547387355,3.76994072006053,4.62099223057308,15.197941166259241,4.945221788517533,5.519156460838579,3.1881282306730387,9.201588460315367,6.105870199769084,2.523394820938171,4.667455139579577,2.6042774821030186,2.2971761957215358,1.66031912765228,2.5057482747079645,7.283285954110823E-13,4.267538080191648E-47,5.011757022628661E-103,1.1709405807464327E-180,5.402007934186281E-280,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0274502657789433,3.1339788951827194,1.9821051089744157,6.067799633256069,1.7315627305053163,2.30432611473373,1.52214693540158,3.9629518263183523,1.7524562141819824,0.9365714104723909,2.666803347611809,1.1667197698290876,0.7726660249223,0.5965972350342089,0.5010101354990969,1.456251659266468E-13,8.532700005763584E-48,1.0020723511376096E-103,2.3412291846813957E-181,1.080100804375159E-280,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.820679909852009,1.3792247867852219,0.42879829793794927,0.762997316056364,0.1807941386322154,0.5502621607249695,0.4129134925180024,0.30714590674790815,7.62870299457518,11.115332886844152,22.186439769284373,0.644495974084546,1.27032155999088,4.6334199700056145,0.7569821639010048,0.17066108025003332,0.8331895883165721,0.13612184122884546,0.3488690542846557,0.12439093237637368,0.048613372943948484,5.561063214156652,4.427348126311567,10.586990790873056,0.7497843824748582,0.5218733596049778,5.048693385274976,0.9747000084454278,0.26112591022441833,0.8033539465947519,0.15509539573434106,0.4140953413823607,0.20622615176013645,0.11391454495208927,6.284519303944822,6.493825567840883,14.063335418805067,0.7050309198921278,0.7342360380945865,5.784881322919737,1.3604711866541357,0.42103490844863956,0.7645499765371022,0.17980458989102321,0.5435189176072448,0.4017612318497453,0.29613610620009856,7.5663874180225115,10.878607197747652,21.75860854573579,0.6468249648056533,1.2414162556570887,5.255605949290933,1.0831473840551833,0.3061238859392486,0.79092596835915,0.1630048755320226,0.44868898948933256,0.25466667171585244,0.1565814721986428,6.644877219285365,7.633039638013611,16.020556415574227,0.6863889525387249,0.8599371334038278,5.935375438096335,1.4393067830320478,0.45366471220423565,0.7581901375402605,0.18385832862153417,0.5721478883830976,0.4496707520323564,0.3437547490623936,7.828346933332619,11.888459215339768,23.592384905394184,0.6372852063103908,1.3655733894778477,5.7963117326862665,1.3625268767394059,0.42003246615815826,0.7647988301793026,0.17977966152887026,0.5456679755639376,0.40297235496397266,0.29480209439809896,7.57887107558383,10.904575157690298,21.80070745812862,0.6471982452689539,1.2434424249260092 +UMLCN0332,L,"1,2,4,5-tetramethylbenzene",CC1=C(C(=C(C=C1)C)C)C,Aromatics,,C10H14,NREL (2014),"20% Blend, CFR",PubChem,,1,0,3.189000000000001,10.169721000000006,48.0838,26.93510199999998,6,6,24,10,14,0,10,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1456.8661059999984,1612.1404419999994,2225.6038699999986,2383.9263979999996,1452.8213339999982,498.67490500000076,97.028064,9.144576,0.0,4670.341439526318,5841.481646680555,8138.027419590073,9402.418860037104,8234.961462866446,4618.934960189095,1434.429564565437,279.75369987837234,0.0,169.46365600000004,175.05200800000006,300.07090400000004,325.81464800000026,427.20021600000035,454.61904399999975,203.9489280000001,60.46617599999999,0.0,34.11358066788599,43.47862034000001,62.196663818188036,72.89554220484901,72.851204309094,49.08095534911111,17.351975576376002,4.001516143641,0.0,3856.7906892394867,3411.6592288806014,6444.0935729573885,6553.715068671252,9220.154338904698,11319.769025571113,5356.7589348593765,1664.258868218241,0.0,49.111111111111114,60.333333333333336,86.22222222222223,104.44444444444443,120.0,93.0,36.0,9.0,0.0,60.7027544166666,67.17251841666665,52.9905683333333,52.97614217777777,24.21368889999997,7.555680378787891,3.2342688,1.016064,0.0,194.59755998026324,243.3950686116898,193.76255760928746,208.94264133415786,137.24935771444078,69.9838630331681,47.8143188188479,31.08374443093026,0.0,7.060985666666668,7.293833666666669,7.144545333333334,7.240325511111117,7.120003600000006,6.888167333333329,6.798297600000003,6.718463999999999,0.0,1.4213991944952495,1.8116091808333339,1.4808729480520961,1.6199009378855336,1.2141867384849,0.7436508386228956,0.5783991858792,0.444612904849,0.0,160.6996120516453,142.15246787002505,153.4307993561283,145.63811263713893,153.66923898174497,171.51165190259263,178.5586311619792,184.917652024249,0.0,2.0462962962962963,2.513888888888889,2.052910052910053,2.3209876543209873,2.0,1.4090909090909092,1.2,1.0,0.0,0.03834694270297152,0.0019510002746989594,0.011057730148085067,-0.016371542161299085,-0.047873149222041056,0.007484154411272183,0.017641947722470207,0.006936387475327934,0.0,706.2183858333335,-7.815970093361102E-14,358.15360995833305,-285.0095628541665,-1039.149910583333,95.84392379166702,327.88710770833336,189.16563906250002,0.0,1313.2432450621316,1.2789769243681803E-13,666.0019314243671,-529.9874524715029,-1932.3436320199946,178.2258689727167,609.7200780645612,351.76158349878534,0.0,0.13834333333333312,2.2273849431542203E-15,0.07015983333333468,-0.055831416666663344,-0.20356233333333132,0.018775166666662315,0.06423083333333024,0.037056249999998764,0.0,5.870808328285838,1.3933298959045715E-14,2.9773385093449676,-2.3692905039153342,-8.638475111620581,0.796752558838767,2.7257324381326895,1.572537945076555,0.0,31.890324015952487,-1.0658141036401503E-13,16.17295003666154,-12.870023620723828,-46.92433390918727,4.327972545022342,14.806221864549503,8.542051075701611,0.0,4.648148148148148,-1.3703703703703733,2.5138888888888884,-0.0208333333333377,-6.583333333333336,0.2175925925925981,1.7453703703703751,1.173611111111113,0.0,0.0015977892792904801,8.129167811245664E-5,2.632792892401206E-4,-3.6381204802886857E-4,-7.978858203673509E-4,1.1339627895866943E-4,5.880649240823402E-4,7.707097194808815E-4,0.0,29.425766076388896,-3.2566542055671257E-15,8.527466903769835,-6.3335458412037005,-17.319165176388882,1.4521806635101064,10.929570256944446,21.01840434027778,0.0,54.71846854425548,5.329070518200751E-15,15.85718884343731,-11.777498943811176,-32.20572720033324,2.7003919541320713,20.324002602152042,39.084620388753926,0.0,0.005764305555555547,9.280770596475918E-17,0.0016704722222222544,-0.0012406981481480743,-0.003392705555555522,2.844722222221563E-4,0.0021410277777776745,0.004117361111110974,0.0,0.24461701367857658,5.805541232935715E-16,0.07088901212726113,-0.05265090008700743,-0.14397458519367634,0.012072008467254047,0.09085774793775632,0.17472643834183946,0.0,1.328763500664687,-4.440892098500626E-15,0.3850702389681319,-0.28600052490497396,-0.7820722318197878,0.0655753415912476,0.4935407288183168,0.9491167861890679,0.0,0.19367283950617284,-0.05709876543209889,0.05985449735449734,-4.6296296296306E-4,-0.10972222222222226,0.0032968574635242136,0.05817901234567917,0.13040123456790143,0.0,0.05087759641781756,0.1647772285448262,-0.2276971392563256,-0.49936861556716844,0.07097073464469894,0.36804911117157973,0.4823600517729882,0.0,-1.1067355721896568E-16,0.28979591836734664,-0.21523809523809506,-0.5885714285714282,0.04935064935064952,0.3714285714285714,0.7142857142857142,0.0,9.739071030269568E-17,0.2897959183673471,-0.21523809523809517,-0.5885714285714289,0.049350649350649034,0.37142857142857155,0.7142857142857145,0.0,1.6100414016969064E-14,0.28979591836735297,-0.21523809523808274,-0.5885714285714236,0.04935064935063799,0.37142857142855407,0.7142857142856915,0.0,2.373318660722478E-15,0.28979591836734764,-0.21523809523809326,-0.588571428571428,0.04935064935064779,0.3714285714285686,0.7142857142857104,0.0,-3.342123783712572E-15,0.28979591836734553,-0.21523809523809767,-0.5885714285714291,0.049350649350651844,0.3714285714285748,0.7142857142857186,0.0,-0.29482071713147473,0.3090495162208309,-0.0023904382470124534,-0.5665338645418329,0.017022817819631,0.30039840637450277,0.6733067729083675,0.0,1.04248987455652,0.8531177153409931,1.3986343126673293,1.532122579734436,0.7582075597062694,0.3413900390537377,0.0,0.0,1.1500000000000001,0.7510204081632654,1.3142857142857147,1.577142857142858,0.776623376623377,0.39428571428571424,0.0,0.0,1.1500000000000006,0.7510204081632655,1.314285714285714,1.577142857142857,0.7766233766233767,0.3942857142857145,0.0,0.0,1.1500000000000001,0.7510204081632654,1.3142857142857143,1.5771428571428576,0.7766233766233767,0.3942857142857144,0.0,0.0,1.1499999999999995,0.7510204081632648,1.3142857142857134,1.5771428571428543,0.7766233766233761,0.39428571428571396,0.0,0.0,1.1499999999999992,0.7510204081632649,1.3142857142857134,1.5771428571428554,0.7766233766233762,0.394285714285714,0.0,0.0,1.5119521912350602,0.5498007968127492,1.014077025232404,1.6677290836653387,0.849692140528794,0.49482071713147413,0.0,0.0,35.332446534071565,17.66622326703577,23.70303141813646,35.33244653407156,3.5332446534071558,17.666223363276217,-2.4868995751603507E-14,3.608224830031759E-16,3.608224830031759E-17,-35.55814557333546,44.918439879580994,4.4918439879581,3.8048483981803054,35.332446534071565,17.66622326703577,23.70303141813646,35.33244653407156,3.5332446534071558,17.666223363276217,-2.4868995751603507E-14,3.608224830031759E-16,3.608224830031759E-17,-35.55814557333546,44.918439879580994,4.4918439879581,3.8048483981803054,35.332446534071565,17.66622326703577,23.70303141813646,35.33244653407156,3.5332446534071558,17.666223363276217,-2.4868995751603507E-14,3.608224830031759E-16,3.608224830031759E-17,-35.55814557333546,44.918439879580994,4.4918439879581,3.8048483981803054,35.332446534071565,17.66622326703577,23.70303141813646,35.33244653407156,3.5332446534071558,17.666223363276217,-2.4868995751603507E-14,3.608224830031759E-16,3.608224830031759E-17,-35.55814557333546,44.918439879580994,4.4918439879581,3.8048483981803054,35.332446534071565,17.66622326703577,23.70303141813646,35.33244653407156,3.5332446534071558,17.666223363276217,-2.4868995751603507E-14,3.608224830031759E-16,3.608224830031759E-17,-35.55814557333546,44.918439879580994,4.4918439879581,3.8048483981803054,35.332446534071565,17.66622326703577,23.70303141813646,35.33244653407156,3.5332446534071558,17.666223363276217,-2.4868995751603507E-14,3.608224830031759E-16,3.608224830031759E-17,-35.55814557333546,44.918439879580994,4.4918439879581,3.8048483981803054,39.97889398017815,19.776342599196415,26.92250745455147,39.941491663607465,3.994149166360747,19.77634261109791,-0.0800000000000125,0.001201836637433229,1.201836637433229E-4,-6.723904361062961,46.22418591435763,4.622418591435763,3.8335031657467193,0,11.849999999999994,12.150111800703517,-0.20832414754096223,0.0918015465920949,6.317343750000002,9.073764747673575,10.0,24.0,21.0,18.0,4.0,3.0,0.0,0.0,0.0,6.0,15.304897999999996,3.8660883601699885,3.0741087678373495,2.930341262407183,2.52618996895657,2.4143453281086784,1.752003503687916,1.7278860927631126,0.64227422580733,2.026218595051958,1.5437222307347018,1.4573393908133634,1.3420582925814508,1.1915155322257205,0.529337855924514,0.49310606850042205,0.08392307051869093,3.874881015929989,3.100516906634708,2.9603089761840535,2.587387089722953,2.473602252840069,1.816107662278992,1.789198530969962,0.7581293198672909,1.9978535108068263,1.4677815773654794,1.3732780090155523,1.2357498433655516,1.0923678944372872,0.4186500072193306,0.4084804700396228,0.25951296917924066,3.916338786721287,3.227667876797901,3.1041922238558666,2.847252567924753,2.7240408317605507,2.071891252836257,2.0413203320259727,1.2157799991779952,1.9252396872680064,1.2549972945345054,1.1350209986997157,0.8969897360530833,0.7716638486729767,0.1178307036612366,0.08864450780907006,0.7054134664137404,3.8814968459682047,3.1205916596392314,2.983069863454302,2.6320473192472265,2.5167967786770102,1.8619745943177868,1.833409530746375,0.8413537561842666,1.9808388295134045,1.420105698244169,1.3202185272788867,1.1658021213810572,1.0267217396742756,0.3512811756067747,0.34817359639293055,0.33806481291098467,3.9384683716164917,3.295307959946592,3.1804151350256196,2.9672338845134503,2.838709674169715,2.1811573426340334,2.1554930046333927,1.4003315314692002,1.9053613589397234,1.1938507579424085,1.0659929700745465,0.7830404699062755,0.6623901821827001,0.011177143262584352,0.020019442704238763,0.8905454733680329,3.856848635801367,3.1370990956791545,3.0307590720277706,2.718776455127658,2.610219652273573,1.8925297330967976,1.8771207828801926,0.9138367778430195,1.996651787564645,1.372262947181777,1.2460897807874698,1.0651503339176103,0.9230177006685798,0.323420728149654,0.28874958325824773,0.39243837108415935,0,0,0,2,4,4,0,0,0,0.0,0.0,0.0,0.05555555555555555,0.2222222222222222,0.0,0.0,0.0,0.020833333333333332,0.08333333333333333,0.8563047002507822,0.0,0.3832766380870198,0.0,0.5386751345948129,0.0,0.20683756729740646,0.0,2.3410914892179053,2.755763801170003,3.5105583505406806,1.3690169358562925,1.4218481522075894,1.5773502691896264,7.723614639131599,4.62589765768623,4.250151550368134,3.701831786987179,2.087989615047976,1.3455962205644139,0.6368945341743198,0.16666666666666666,0.7723614639131599,0.462589765768623,0.30358225359772384,0.21775481099924582,0.1304993509404985,0.08409976378527587,0.06368945341743198,0.05555555555555555,7.1547005383792515,3.6606836025229597,2.949358737117772,2.328846035225553,1.0915063509461096,0.5930021169820366,0.25,0.0625,0.7154700538379252,0.36606836025229594,0.210668481222698,0.13699094324856195,0.06821914693413185,0.03706263231137729,0.025,0.020833333333333332,13.792794626501124,23.214857975236704,22.078431372549026,22.319999999999997,15.589881437125744,181.42586946107787,0.5746997761042135,0.967285748968196,0.9199346405228761,0.9299999999999998,0.6495783932135727,7.559411227544911,1.79868,41.00200000000001,42.11558272820247,54.12612461275754,84.23116545640492,8.423116545640493,42.11558272820247,4.440892098500626E-16,4.4408920985006264E-17,-35.35050620855721,55.74143816779758,5.574143816779758,4.020723823080795,76,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.001111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7619444444444445,0.0,0.0,0.0,0.0,0.7619444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.665555555555555,0.0,0.0,0.0,0.0,4.356481481481481,0.0,0.0,0.0,0.0,5.64462962962963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3917592592592594,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38097222222222227,0.0,0.0,0.0,0.0,0.38097222222222227,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.154537037037037,0.0,0.0,0.0,0.0,2.1782407407407405,0.0,0.0,0.0,0.0,1.3917592592592594,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1782407407407405,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38097222222222227,0.0,0.0,0.0,0.0,0.38097222222222227,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1782407407407405,0.0,0.0,0.0,0.0,2.1782407407407405,0.0,0.0,0.0,0.0,1.4305555555555558,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.666666666666668,1.8666666666666667,0.38097222222222227,2.1782407407407405,0.11631944444444445,1.3917592592592594,6.175033888888889,0.2749074074074074,0.1782407407407407,2.0440740740740733,0.2749074074074074,0.1782407407407407,2.0440740740740733,5.0,0.5,0.0,0.0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,-0.0,0.0,0.71429,0.0,0.0,0.4,0.4,0.0,11.0,1.1,5.0,0.5,6.0,0.6,1.0,0.1,0.0,0.0,7.70126,0.77013,12.65295,4.95169,0.49517,2.41574,0.24157,4.62587,2.21014,0.22101,0.28813,0.02881,0.37413,0.03741,0.25,10.0,0,0,0,0,0,0,0.4,0.9798687566511528,1.9591479170272446,2.125814583693911,2.292481250360578,2.792481250360578,2.792481250360578,23.516850159627666,47.019550008653866,51.019550008653866,55.01955000865387,67.01955000865388,67.01955000865388,0.21371358140814276,0.427298569338156,0.4636492846690779,0.4999999999999999,0.6090521459927657,0.6090521459927657,3.605093744070004,2.6258145836939124,2.459147917027246,2.292481250360579,1.792481250360579,1.792481250360579,0.20607611772209405,0.4120282375000111,0.44707989047620317,0.48213154345239534,0.5872865023809716,0.5872865023809716,6.772325919164824,14.729809598523122,16.729809598523122,18.729809598523122,19.233722114523122,19.233722114523125,37.92632203826385,30.8621562566106,27.692231255168288,24.52230625372598,24.522306253725976,24.52230625372598,8.1,2.938775510204082,1.5501730103806228,0,6,0,2.56,1.28,1.6688179349970051,2.746356191876157,7.883079777506848,0.0,1.0,4.298279727294167,0.0,3.965406456500188,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.121,0.088,0.4810000000000001,0.688,4.848,14.0,17.0,16.0,16.0,10.0,3.0,0.0,0.0,0.0,96.0,2.6390573296152584,3.2771447329921766,3.7784916128036232,4.141148628419903,4.541298109393681,4.2749284991175145,3.168897455061959,0.0,0.0,0.0,5.830690418089585,3.5374348958333335,0.4,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.4,0,3.0,5.0,0.6666666666666666,2.5,2.000000000000001,0.875,0.5244444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.25,0.14285714285714293,0.0625,0.08740740740740742,0.0,0.0,0.0,0.0,0.0,0.0,0.5427645502645503,22.385922455963023,30.81456194271811,44.77184491192607,4.477184491192606,22.385922456792883,4.996003610813204E-16,4.9960036108132046E-17,-35.232723172900826,42.18307695146161,4.21830769514616,3.7420191205043545,0.0,150.3504701562669,4.321928094887363,3.8918202981106265,4.709530201312334,5.54907608489522,6.385194398997726,7.226209010100671,8.065579427282092,8.906664409770052,9.746892220313054,10.587821006063988,85.06878705684578,3.044522437723423,0.0,4.343805421853684,0.0,5.860786223465865,0.0,7.471363088187097,0.0,9.122710622015209,9.338997404184445,134.109550448,5.587897935333333,19.22532836678542,1.922532836678542,0.0,0.0,0.0,109.0,14.0,3.6499999999999995,48.0,1.2347626558733757,2.1362863968053127,3.0765761820902426,3.799060094179618,4.377213256784503,5.8025645828577215,6.55256675069579,0.0,0.0,0.0,92.46115255094803,126.22579524923546,172.61717133383817,101.27016058445115,38.70682904133014,19.473904420552117,6.657827182978966,0.0,0.0,0.0,322.77603441445166,449.4313646948727,666.156059580593,547.5869914488536,335.27235848889063,282.7770203331494,203.67831024523903,0.0,0.0,0.0,9.036613009815685,15.336411611839546,22.31141919604532,27.107261851900148,30.26836288469851,39.47300056927718,44.023183822146635,0.0,0.0,0.0,2.357580244922757,3.3750670832212015,5.113386499320156,4.771451803105875,3.4708813501878595,3.398830827646081,2.9133557372438275,0.0,0.0,0.0,173.6281860949879,322.57894503189226,445.7260584241083,579.6521704584434,741.5378524373094,1034.0716301820933,1211.685258270828,0.0,0.0,0.0,3.1949951425526333,4.601016549002155,7.290494429627011,7.770231032149209,6.472098506971385,7.026809291032131,6.55256675069579,0.0,0.0,0.0,0.4854933689287741,0.6998615280226841,1.0627347011268904,1.0132510008776152,0.759959437163801,0.7626386851294293,0.6709828352712489,0.0,0.0,0.0,300.41741549340185,137.3697177717284,9.883958950114838,99.40918726307748,-45.45612635611591,-4.536823692426448,201.00822823032436,182.8258441278443,14.420782642541287,0.7513692521264669,0.34357323105735305,0.024720613590924107,0.24863074787353306,-0.11368959954823635,-0.011346978067864262,120.1148746456086,54.92406757828654,3.9518697288089144,39.74643762617895,-18.17456857543509,-1.8139428042479733,0.1356695392022464,0.12755059811819572,3.2323872781738023,1.6767210189272346,399.82660275647936,0.0,1.0,0.0,733.4098265657774,27.08154032852964,9.01811096475332,869.452956298015,29.486487690093153,9.544401408811897,1326.9786772671896,36.42771852953722,10.988910800577093,1.401189173102973,1.3807478120051881,623.5093488170812,394.2647407965834,242.73109892251284,1.581448413462806,2.5687246157779082,1.624286062011546,4.279070419925262,4.288153177805148,6.664765497223214,0.5542274776281461,4.068044055629804,5.849592127441224,7.4141637141849435,11.845991847118936,2.170232746154816,4.161435662416819,9.574914905754092,8.790058297787633,3.7752629250929264,8.284653087104726,2.451060082255126,2.574079701627309,2.733938298832324E-5,7.605898678379592E-31,4.935151270411348E-78,6.44181609039601E-147,1.6652297936767896E-237,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3415123562431692,4.876977925594148,0.30657139875199424,7.255657378064656,0.8869229342668707,0.5629383096928476,0.9154811073701634,0.551997140362099,1.3891578876147543,0.317688321694651,0.1293649588668239,0.018130077736608092,1.9255350979920826E-7,5.3568966290302234E-33,3.475867392155833E-80,4.537023744158903E-149,1.1728349594854662E-239,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1021769229242002,4.941970350417526,1.1969980686830783,8.043898827644393,1.010293532344052,1.2476075532527418,2.6798162818478652,1.9035328004021028,1.860022487175372,1.2050788197545497,0.4678557039615613,0.18892448956221966,2.006556031644154E-6,5.582299306350545E-32,3.6221218134109553E-79,4.727928547782941E-148,1.2221844538345391E-238,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.8399084552823806,5.742807754616695,6.780796550410274,11.512354274159684,2.042644321711443,3.9234991395512226,9.043644412704984,8.16897703391919,3.6234596896447,7.535545206435577,2.261021618441606,2.293459101207924,2.4358898036853464E-5,6.776718789316391E-31,4.397130931731052E-78,5.739542161033322E-147,1.4836897661307186E-237,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.624349301280176,5.026236067115202,1.9746378062913348,8.629166948624826,1.1361309381455573,1.7324162234405018,3.891939053953097,2.9293118802055376,2.1880635110207485,2.033620535132336,0.7404270180868543,0.4103677013291927,4.358507830046874E-6,1.2125500037224427E-31,7.867732590651591E-79,1.0269692582932332E-147,2.6547479501155954E-238,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.912727498777488,6.298605916911347,9.98433006599618,13.141048331460926,2.698299592587866,5.062435376133414,11.543271793749028,11.222207000831103,4.3438252323835265,11.355035217945249,3.209080587225545,3.754051293685362,3.9871920690254984E-5,1.1092488408095773E-30,7.19745431461622E-78,9.394783355834283E-147,2.4285811531624026E-237,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.335014303739879,4.88796598661418,2.818577710818774,9.129813534496687,1.4179109957010856,2.3542503794676026,5.268687103513726,4.20822585873912,2.8104363073298217,3.224387024681325,1.1218138619815206,0.738736937343698,7.846123944352971E-6,2.182815309483939E-31,1.4163380559216242E-78,1.8487354851264055E-147,4.779039586444868E-238,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.459063589152009,2.71882254801016,0.27874295854626396,0.5979999181826499,0.36461818244050026,0.5618715189385057,0.5557359503291789,0.33332427729543346,7.456629095708434,14.124187847178392,24.96013005939692,0.44392715093472523,1.4509317465631182,2.8895617821848587,1.7926687713856138,0.05024833297579945,0.6105810192623256,0.3788012190570786,0.2359432863242154,0.241412811909631,0.01083177358875288,4.732478886546272,5.415301449837426,10.408068066441134,0.48407335747910635,0.48818787182259926,3.4469842065641956,2.121650914645476,0.13140484267163588,0.6047298314408752,0.37221684902026336,0.3357509019665992,0.33828538219805826,0.07407646980710839,5.7000399638813075,8.04504281662374,14.706085447775719,0.46542002069170785,0.7481127539717658,4.412808745233938,2.6915326881277126,0.27200943011222556,0.598237370606275,0.3648867492808146,0.5502742641880656,0.544628770455774,0.3174146722342806,7.376350863473876,13.809666848864353,24.416733279562987,0.4446861798306344,1.41231770687812,3.721287778535365,2.2835159687562387,0.17133911404119528,0.602526182131143,0.36973172739457333,0.39131524451551714,0.3919251444482245,0.12594214274961824,6.176142861332799,9.52647782067513,17.158595375681784,0.45838686428857456,0.9091825317133598,4.606824877784156,2.8059989153516516,0.30025313250303753,0.5972745925132323,0.3637976053401336,0.5997294225059494,0.5919681355762659,0.3867536408786228,7.713076925638845,15.152469174859423,26.74684196305393,0.441608296780049,1.578451198960838,4.4166304301262596,2.695280838950484,0.27176661532678015,0.5981613092108836,0.365032288941491,0.5512275837178444,0.5461449566541361,0.31684822195053686,7.383677884403524,13.836839425146314,24.45564323346776,0.44479039722856195,1.4142207623225174 +UMLCN0333,L,naphthalene,C1=CC=C2C=CC=CC2=C1,Aromatics,,C10H8O,NREL (2014),"5%–7% Blend, CFR",PubChem,,22,0,1.9478,3.79392484,49.1528,22.93434399999999,10,11,18,10,8,0,10,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1450.7697219999989,1683.7620349999993,2213.411102,1979.4075959999984,1113.8228699999988,441.9418099999999,54.524736,2.032128,0.0,4483.838972940738,5576.578850206775,7765.022486418911,7563.437614987905,5022.3362044919295,2472.543155392327,645.4489320676558,62.16748886186053,0.0,129.15287199999997,139.886732,219.44933600000002,273.1496160000001,227.90652000000017,154.24032800000003,68.78131199999999,13.436928,0.0,31.445903238791985,39.58625448,56.86130896,58.40536362909403,41.671963629094044,22.497234958791992,7.121854669094002,0.8892258096979999,0.0,2747.2847770939925,2619.7182986932003,4225.0817486664,5693.489139483495,4932.723002943495,3570.4005009287926,1721.996102997094,369.83530404849796,0.0,45.55555555555556,56.111111111111114,81.33333333333334,88.66666666666669,68.66666666666666,40.0,14.0,2.0,0.0,80.59831788888883,88.61905447368417,73.78037006666666,52.08967357894733,34.80696468749996,20.08826409090909,5.452473599999999,1.016064,0.0,249.10216516337434,293.50415001088294,258.8340828806304,199.03783197336594,156.9480063903728,112.38832524510578,64.54489320676558,31.083744430930263,0.0,7.175159555555554,7.362459578947369,7.314977866666667,7.188147789473686,7.122078750000005,7.010924000000002,6.878131199999999,6.718464,0.0,1.7469946243773324,2.0834870778947367,1.8953769653333334,1.5369832533972114,1.3022488634091889,1.0226015890359996,0.7121854669094002,0.44461290484899996,0.0,152.62693206077736,137.87991045753685,140.83605828888,149.82866156535513,154.14759384198422,162.29093186039967,172.1996102997094,184.91765202424898,0.0,2.5308641975308643,2.953216374269006,2.7111111111111112,2.333333333333334,2.145833333333333,1.8181818181818181,1.4,1.0,0.0,0.0581030993806526,-0.003705496043161785,-0.02088630058683328,0.0013478020004827197,-0.016093198344910013,-0.0052749270854345505,0.00792794924141699,0.007632621128113614,0.0,538.0711511111109,23.914273382716313,-143.48564029629597,-86.68924101234572,-230.17488130864223,-11.9571366913583,104.62494604938253,74.73210432098759,0.0,1000.5662819521006,44.46961253120441,-266.81767518722694,-161.20234542561627,-428.0200206128429,-22.234806265602288,194.55455482401956,138.96753916001398,0.0,0.10540444444444433,0.0046846419753097225,-0.028107851851850524,-0.01698182716049356,-0.04508967901234604,-0.0023423209876553197,0.020495308641974422,0.01463950617283922,0.0,4.472996821551109,0.19879985873561115,-1.192799152413622,-0.7206494879165664,-1.9134486403302,-0.09939992936780839,0.8697493819682662,0.6212495585487637,0.0,24.297389726439977,1.0798839878418094,-6.479303927050621,-3.9145794559264293,-10.393883382977108,-0.5399419939209138,4.724492446807747,3.374637462005544,0.0,4.049382716049382,-0.29903978052126273,-1.3415637860082312,0.1426611796982159,-1.2976680384087804,-0.38134430727023416,0.6145404663923186,0.5377229080932786,0.0,0.003227949965591811,-1.9502610753483078E-4,-6.962100195611093E-4,3.546847369691368E-5,-5.029124482784379E-4,-2.3976941297429774E-4,7.92794924141699E-4,0.003816310564056807,0.0,29.89284172839505,1.258645967511385,-4.782854676543199,-2.281295816114361,-7.19296504089507,-0.5435062132435591,10.462494604938254,37.366052160493794,0.0,55.587015664005584,2.340505922694969,-8.893922506240898,-4.242166984884639,-13.375625644151341,-1.0106730120728313,19.455455482401955,69.48376958000699,0.0,0.005855802469135796,2.465601039636696E-4,-9.369283950616842E-4,-4.468901884340411E-4,-0.0014090524691358138,-1.0646913580251452E-4,0.0020495308641974423,0.00731975308641961,0.0,0.24849982341950605,0.010463150459769009,-0.03975997174712074,-0.018964460208330692,-0.05979527001031875,-0.004518178607627654,0.08697493819682663,0.31062477927438187,0.0,1.349854984802221,0.05683599936009523,-0.21597679756835403,-0.10301524884016919,-0.32480885571803464,-0.024542817905496082,0.4724492446807747,1.687318731002772,0.0,0.22496570644718789,-0.015738935816908564,-0.04471879286694104,0.0037542415710056817,-0.04055212620027439,-0.01733383214864701,0.06145404663923186,0.2688614540466393,0.0,-0.060417946254961476,-0.21568178781651792,0.01098792548676042,-0.15579933197205992,-0.0742791603123063,0.24560322576014537,1.1822706686090552,0.0,0.04210526315789522,-0.15999999999999967,-0.07631578947368427,-0.24062500000000034,-0.018181818181818608,0.34999999999999953,1.2499999999999993,0.0,0.04210526315789469,-0.1600000000000001,-0.07631578947368425,-0.24062499999999995,-0.018181818181818226,0.35000000000000003,1.2500000000000002,0.0,0.04210526315790449,-0.15999999999999262,-0.07631578947368309,-0.24062500000000217,-0.018181818181825952,0.3499999999999852,1.249999999999977,0.0,0.042105263157896075,-0.1599999999999991,-0.07631578947368407,-0.24062500000000042,-0.018181818181819274,0.34999999999999803,1.2499999999999971,0.0,0.042105263157896006,-0.159999999999999,-0.07631578947368398,-0.24062500000000014,-0.018181818181819038,0.34999999999999803,1.249999999999997,0.0,-0.06996148908857527,-0.1987804878048782,0.016688061617458186,-0.18025914634146362,-0.07705099778270531,0.27317073170731726,1.1951219512195128,0.0,0.9245476203974718,1.0426786712475435,0.8766242092953275,1.1367086667488548,1.1646306936011646,0.8844962526610365,0.0,0.0,0.8052631578947371,1.020000000000001,1.006578947368422,1.195312500000001,1.0431818181818189,0.7650000000000003,0.0,0.0,0.805263157894737,1.0199999999999998,1.0065789473684208,1.1953124999999998,1.0431818181818184,0.7650000000000001,0.0,0.0,0.8052631578947368,1.0199999999999996,1.0065789473684206,1.1953124999999996,1.043181818181818,0.765,0.0,0.0,0.8052631578947372,1.0200000000000007,1.0065789473684217,1.1953125000000009,1.0431818181818189,0.7650000000000002,0.0,0.0,0.8052631578947367,1.0200000000000002,1.0065789473684212,1.1953125000000004,1.043181818181818,0.765,0.0,0.0,0.9329268292682926,1.026219512195122,0.8838254172015405,1.1661585365853662,1.1449556541019956,0.8396341463414636,0.0,0.0,29.545318534896218,14.772659267448102,21.43932593411477,29.545318534896218,2.954531853489622,14.772661540001435,-1.2434497875801753E-14,1.3877787807814457E-16,1.3877787807814457E-17,-36.51365701836289,5000017.121246596,500001.71212465956,15.424951894641831,29.545318534896218,14.772659267448102,21.43932593411477,29.545318534896218,2.954531853489622,14.772661540001435,-1.2434497875801753E-14,1.3877787807814457E-16,1.3877787807814457E-17,-36.51365701836289,5000017.121246596,500001.71212465956,15.424951894641831,29.545318534896218,14.772659267448102,21.43932593411477,29.545318534896218,2.954531853489622,14.772661540001435,-1.2434497875801753E-14,1.3877787807814457E-16,1.3877787807814457E-17,-36.51365701836289,5000017.121246596,500001.71212465956,15.424951894641831,29.545318534896218,14.772659267448102,21.43932593411477,29.545318534896218,2.954531853489622,14.772661540001435,-1.2434497875801753E-14,1.3877787807814457E-16,1.3877787807814457E-17,-36.51365701836289,5000017.121246596,500001.71212465956,15.424951894641831,29.545318534896218,14.772659267448102,21.43932593411477,29.545318534896218,2.954531853489622,14.772661540001435,-1.2434497875801753E-14,1.3877787807814457E-16,1.3877787807814457E-17,-36.51365701836289,5000017.121246596,500001.71212465956,15.424951894641831,29.545318534896218,14.772659267448102,21.43932593411477,29.545318534896218,2.954531853489622,14.772661540001435,-1.2434497875801753E-14,1.3877787807814457E-16,1.3877787807814457E-17,-36.51365701836289,5000017.121246596,500001.71212465956,15.424951894641831,31.72127567463572,15.535002424464851,22.712328250938686,31.69994234130239,3.1699942341302387,15.535003491282438,-0.05333333333332391,0.023860643828989975,0.0023860643828989975,-3.7355248790640974,173.12869745566854,17.312869745566854,5.154035233858198,0,11.850000000000001,12.150111800703517,-0.18704179951847208,0.11522808468052029,6.897968750000001,8.88276888042921,11.0,19.0,14.0,8.0,0.0,5.0,0.0,0.0,0.0,11.0,8.745655999999999,3.9751990428752095,3.293268816670033,2.873955553144896,2.492115958163888,2.2241698066756763,1.166655371517947,0.8120143677490665,0.6842050178984318,2.1054003319361745,1.5819607768384494,1.2098985131755997,0.8736574242134726,0.8396662590663767,0.3833127780898646,0.25108024895693193,0.22766691669262892,3.9830383923849406,3.310654291750374,2.892276219654681,2.5114598499272236,2.2597424969623905,1.2570869051279294,0.9310875410771623,0.8245527622607915,2.0839219078983517,1.5353176898265652,1.1520860685801653,0.8049671439407672,0.7431069613021135,0.2318946370023311,0.08536517322785932,0.058061560398728944,4.0187357480846355,3.3904249324058005,2.9800120597639244,2.606912126101388,2.429892988366698,1.6531141085966667,1.4244923644520318,1.369277281931796,2.026150333892381,1.4070376845878845,0.9989905909296076,0.6281255824667081,0.4661296398611646,0.2709593965030445,0.48551126484912976,0.5351723238555324,3.9888718948380486,3.323634332881354,2.90614758799841,2.52624639528939,2.2867444797365213,1.324217248382391,1.017910966931073,0.9240193198762948,2.0707740068344416,1.5064209038260226,1.1167402499630226,0.7633851787681775,0.6818739609405305,0.13053327616042099,0.026882613846357713,0.05732174208633693,4.03702239067656,3.431373898442711,3.027189272245875,2.6599765502653736,2.519318627559591,1.8355820112155061,1.6387907999785036,1.5956442911012398,2.009475478420339,1.369678297597864,0.9566381202605471,0.5810489141123126,0.38487114632054037,0.4452601534696169,0.6940837127654262,0.7579497539780818,3.9709639362706133,3.367060990945851,2.920789463055149,2.5129169288960345,2.3400274487719055,1.4045510525701994,1.1045413317327055,1.0244355238438898,2.0849014458304316,1.4543902153715653,1.0859771337254747,0.7530660682442186,0.6097608727062875,0.03136935277375186,0.13156925413788356,0.16634197644389384,0,0,0,8,2,0,0,0,0,0.0,0.0,0.0,0.16666666666666666,0.23570226039551587,0.0,0.0,0.0,0.05555555555555555,0.06415002990995841,0.3333333333333333,0.0,0.08333333333333333,0.0,0.16666666666666666,0.0,0.027777777777777776,0.0,0.9428090415820635,1.4999999999999996,1.8856180831641258,0.3849001794597506,0.5000000000000001,0.5132002392796674,6.811554787871632,4.966326495188786,4.089073411524036,3.4663264951887856,2.8575892353471595,2.316496580927726,1.1401194830787669,0.7041241452319316,0.6811554787871632,0.4514842268353442,0.29207667225171685,0.19257369417715475,0.12989041978850724,0.08909602234337408,0.06333997128215371,0.04400775907699572,5.618802153517007,3.4047005383792524,2.347150628109127,1.6586892478083894,1.1329058247451813,0.7566001196398339,0.30356120084098637,0.15387779771775006,0.5618802153517006,0.3095182307617502,0.16765361629350908,0.09214940265602163,0.05149571930659915,0.029100004601532073,0.016864511157832576,0.009617362357359379,12.1673112151435,17.551347414420974,16.90196078431373,17.040000000000003,13.194217964071854,132.5691880239521,0.6759617341746389,0.9750748563567208,0.9389978213507627,0.9466666666666668,0.733012109115103,7.364954890219561,2.839800000000001,43.94800000000002,69.06175437447962,80.5546797136114,138.12350874895924,13.812350874895923,69.06175437447962,1.0547118733938987E-15,1.0547118733938987E-16,-34.485508771070606,35.258437856282,3.5258437856282,3.562704872422836,90,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.333333333333332,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.6000000000000005,0.0,0.0,0.0,0.0,3.6000000000000005,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.712962962962962,0.0,0.0,0.0,0.0,0.0,2.6203703703703707,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3101851851851853,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0578703703703702,0.0,0.0,0.0,0.0,0.0,1.3101851851851853,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1203703703703702,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1203703703703702,0.0,0.0,0.0,0.0,0.0,1.3101851851851853,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.333333333333336,1.9333333333333336,0.45,2.1203703703703702,0.25,1.3101851851851853,5.87237962962963,0.3564814814814814,0.12037037037037035,1.4259259259259256,0.3564814814814814,0.12037037037037035,1.4259259259259256,5.0,0.5,0.0,0.0,0.52222,0.7,0.44286,0.44286,0.7,0.07937,0.07937,-0.0,0.0,0.71429,0.0,0.0,0.0,0.2,0.0,15.5,1.55,5.5,0.55,10.0,1.0,4.5,0.45,0.0,0.0,3.84421,0.38442,10.92696,7.08275,0.70828,1.76011,0.17601,4.96631,3.20621,0.32062,-0.05231,-0.00523,0.11969,0.01197,0.5555555555555556,31.0,0,0,0,0,0,0,0.0,0.9910760598382221,1.3921472236645345,1.8365916681089791,2.503258334775646,2.725480556997868,2.9477027792200903,17.839369077087998,25.05865002596162,33.058650025961626,45.058650025961626,49.058650025961626,53.058650025961626,0.2376723944664291,0.3338542595329682,0.44043757800769334,0.600312555719781,0.6536042149571435,0.7068958741945061,3.17884894160409,2.7777777777777777,2.333333333333333,1.666666666666666,1.4444444444444442,1.2222222222222219,0.21476454496961855,0.30167600362563096,0.39798638054157315,0.5424519459154865,0.5906071343734575,0.6387623228314286,6.177348133484644,10.990202099400392,16.323535432733728,19.43812433584484,19.662085454067064,22.32875212073373,32.42629689029322,33.34470003782063,31.532166689102638,28.110277793803473,27.59031112649578,24.47051112264961,6.694214876033058,2.938775510204082,1.382716049382716,0,10,0,2.56,1.0854000000000008,0.0,0.0,0.0,0.0,11.678631656953222,8.596559454588334,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.197,0.196,0.919,1.3920000000000001,5.37,14.0,18.0,22.0,26.0,18.0,16.0,14.0,12.0,0.0,161.0,2.8622008809294686,3.481240089335692,4.123093975508087,4.721841492791785,5.290474189087011,5.3280278563135735,5.614495783829436,5.885561349502718,6.136257967948038,0.0,7.454195361560395,10.721079192546584,0.4,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,3.0,0.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0,3.0,5.0,0.6666666666666666,1.0,0.8888888888888893,0.25,0.28444444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.09090909090909091,0.06349206349206352,0.020833333333333332,0.047407407407407405,0.0,0.0,0.0,0.0,0.0,0.0,0.22264189514189517,22.15898890117216,32.158988901172165,44.31797780234433,4.431797780234433,22.15898890249232,5.273559366969494E-16,5.2735593669694933E-17,-35.17865595163055,5000017.121246596,500001.71212465956,15.424951894641831,0.0,121.82109405386691,4.321928094887363,3.9318256327243257,4.74493212836325,5.572154032177765,6.401917196727186,7.234898420314831,8.068089626278244,8.902047345620277,9.735956081214809,10.570059724910275,86.16188018833097,3.1354942159291497,0.0,4.3694478524670215,0.0,5.849324779946859,0.0,7.43543801981455,0.0,9.06681636189014,9.288504392945537,128.062600256,7.114588903111111,20.658424477801383,2.0658424477801383,0.0,0.0,0.0,109.0,12.0,3.2239999999999993,50.0,1.2552372302933101,2.2471307193338963,3.0991817281669674,4.117758291171349,5.144493652770547,6.088439560737305,7.077315234687393,0.0,0.0,0.0,119.82047742926527,174.64154357878581,167.4400434939039,149.77099719269904,101.0866712316838,32.77661951476087,7.191005226617412,0.0,0.0,0.0,388.47014307020265,602.3056770775341,637.1972565472954,666.3227977721928,575.3488612828706,389.8065838807113,219.98945801215214,0.0,0.0,0.0,9.269096299243445,16.46602194061321,22.336354568085138,29.379061957595408,36.07581160883155,41.86195451642485,47.548687620898804,0.0,0.0,0.0,2.724071484327118,4.3713184544113135,4.897278790118737,5.489718222978485,5.254495850405281,4.310740445204638,3.146665685026443,0.0,0.0,0.0,171.3621917138934,314.71446131486374,459.91515423212456,630.900849359146,834.1031386230985,1049.6322025367224,1308.7205158338393,0.0,0.0,0.0,3.804814791592848,6.201852109596564,7.4171187844729785,9.017055590580883,9.354657479304938,8.485907572791005,7.077315234687393,0.0,0.0,0.0,0.5565667315136714,0.8990946865063674,1.0188358399517128,1.1563018849580244,1.1272602398717295,0.953347809478089,0.7247170800319891,0.0,0.0,0.0,215.97755725052156,107.24408681693185,13.40143793269158,196.7742121812957,-97.70862752200742,-10.550212664676799,19.20334506922586,204.95271433893927,23.951650597368378,0.5232625835809993,0.25982707951697254,0.03246851721832625,0.476737416419001,-0.23672491496889392,-0.025560672166711568,89.14511891271435,44.265186594788034,5.531467219649124,81.21890425638162,-40.32940889846291,-4.354618945227315,0.12558947461405146,0.12318257368705661,3.6090070489226123,1.6657881050736836,412.75176943181714,0.0,1.0,0.0,849.3839861709323,29.14419300943041,9.47039346457865,928.5787731740777,30.472590522862962,9.756025285335022,1439.4910038701044,37.940624716392115,11.291101679507731,1.2973095613252856,1.2973095613252856,548.7259612468492,394.10599975488674,154.620232478917,1.392330899778557,3.548862606461738,2.548864359058731,3.976013832403303,3.8066113868448874,7.0835694289065385,0.8608596226518831,2.8846163449196,2.606702661959873,4.603023663466927,9.068708000749863,0.0599733065851872,4.034976408215248,3.888771394998955,3.8149368936929995,3.054427758099713,1.1314115809033105,5.60552905861848,0.14680323690097186,1.1009479230110903,3.964495978418976E-8,3.691175219904844E-37,7.598864224750891E-88,3.161722096795925E-160,2.5735158572314933E-254,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24221895322920317,2.606701768633019,0.3863773384614101,5.154261278818506,0.02034163005994991,0.5525783056529718,0.9673901560987992,0.32848409297062126,1.053776244596607,0.011512265957355907,0.3451524928385346,0.001033947203518079,0.007754066241088042,2.7922269334149264E-10,2.5997248883784456E-39,5.351942205822119E-90,2.226826724684272E-162,1.8125482606739486E-256,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7815885947865917,2.606701950980075,1.247083544280255,5.421561209485284,0.028430727542694583,1.2634100004789939,1.55287460251761,1.039587664151699,1.224685156187659,0.09214350960340069,1.196745356600729,0.010774527017602792,0.08080334864863367,2.909715746446507E-9,2.709113773532808E-38,5.5771364153796626E-89,2.3205251363639357E-161,1.8888150358277115E-255,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.722850670040579,2.606702607271044,4.344883170709559,8.64096271273263,0.05754688117518719,3.8217864917288287,3.706094615950954,3.601302137066127,2.8479414486606474,1.0105073565637588,5.204898968622543,0.13079904110225796,0.9809247784402,3.532294541799615E-8,3.288770666705406E-37,6.770451217778304E-88,2.8170374660471433E-160,2.2929562963912457E-254,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1518489445933984,2.6067020761556123,1.8379317293576518,5.762933529903334,0.033983809393908285,1.7513736745561987,1.9580074898039501,1.5279029936234956,1.4125175492667663,0.19142792942660508,1.8473016986810962,0.023403712439506168,0.17551567074381802,6.320291416784536E-9,5.884557125850835E-38,1.2114285548135963E-88,5.040490680130903E-161,4.10275865380135E-255,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.483561827482624,2.6067028644479953,5.558802201809761,10.866036127307456,0.06895749773748978,4.824322711150179,4.569492133486338,4.606153480356418,3.9143382344267255,1.6384990828060084,7.178119093499739,0.21409872421242884,1.6056290768942256,5.7818447949563985E-8,5.3832321557783205E-37,1.108222931858733E-87,4.6110745345612307E-160,3.753231014704072E-254,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5435703588661092,2.3064390235526853,2.4473908955161074,5.967680588365971,0.038859156019934414,1.9704388700921398,2.3967680250007146,2.0452398633450177,1.712348921192185,0.3150280224496606,2.5634204504638594,0.03927553901352526,0.2945461149554046,1.0606558800764201E-8,9.875320148378E-38,2.0329898342080264E-88,8.458828439703722E-161,6.885149439679974E-255,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.420010157800322,2.2533379570775702,2.5614631535830767E-6,0.6623374631683202,0.33766215299703994,0.5501251903512884,0.5248154694532663,0.32432847799571113,6.6733506763410455,9.959793752775193,16.63316994071717,0.4999994242480403,1.399269137800266,3.0772977755570197,1.2072804181255365,1.0609808900397447E-6,0.7182263631154938,0.2817733892567168,0.26665952340466004,0.15064668613295518,0.056569502701752865,4.284579254663446,3.7151658910268477,7.999749087405484,0.5773395446732407,0.4738757122393681,3.482753181922254,1.5231659440981493,1.514275372205276E-6,0.6957268067510705,0.30427289075205016,0.341555571302164,0.2397972581846079,0.11449775857032193,5.005920640295775,5.304818618743491,10.310747291983976,0.5435902101266057,0.6958505880570939,4.370030962543288,2.214402594731083,2.505637802207925E-6,0.6636910011410309,0.33630861831950026,0.5377544038627137,0.5068356944517124,0.31047725861620745,6.5844360629121725,9.677024400716654,16.261484710705638,0.49999942919079665,1.3550673569306335,3.707868674794244,1.6985466534297946,1.7658628741479276E-6,0.6858273437411258,0.314172329635374,0.38713640109188996,0.2981995194899366,0.15525214739930918,5.406417094086914,6.2979974759170405,11.704425691387021,0.5287410156116887,0.8405880679811357,4.585203532487942,2.3820280451468454,2.7459698928034015E-6,0.6581095624921751,0.34189004338158113,0.5920146598617323,0.5864720244384378,0.37223775626905475,6.96723432360468,10.92210253890081,17.889366854217695,0.4999994088106344,1.5507244405692249,4.3731540645387055,2.212638277322366,2.5029944645800306E-6,0.6640282862674921,0.3359713336729216,0.5385232960111513,0.5060283874137758,0.309835315630198,6.585794844855536,9.676224560028002,16.26204362437879,0.4999994299106205,1.3543869990551252 +UMLCN0334,L,2-methylnaphthalene,CC1=CC2=CC=CC=C2C=C1,Aromatics,,C11H10,NREL (2014),"20% Blend, CFR",PubChem,,6,0,2.3942000000000005,5.732193640000003,53.4348,26.027929999999987,10,11,21,11,10,0,11,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1597.0659709999986,1852.2403319999994,2517.0946240000007,2338.5462380000013,1467.9668719999981,793.0376199999998,284.5545370000002,55.5408,3.0481920000000002,4969.523363551928,6229.568984697142,8820.044139580887,9036.723627847825,6598.47181199783,3955.4275296054416,1903.2058928415465,676.532676498586,93.25123329279079,150.130316,161.662512,261.803392,317.49951200000004,312.168032,218.34644800000018,132.86371599999998,75.49977599999998,20.155392,35.12402904849001,44.602243099999995,64.88649198454699,69.77520367939599,55.04054970333906,34.53198231849002,18.150177743942994,7.566467573943003,1.3338387145469999,3243.914437232491,3052.7577502090003,5186.545964632048,6495.977833892397,6876.51271380924,4959.437255721791,3105.5659451016436,1906.9137550213431,554.7529560727469,50.333333333333336,62.111111111111114,91.44444444444446,104.77777777777779,88.66666666666666,57.666666666666664,32.666666666666664,15.0,3.0,76.05076052380946,84.19274236363634,69.91929511111113,53.14877813636367,33.36288345454541,25.581858709677412,14.976554578947379,5.0491636363636365,1.016064,236.64396969294896,283.1622265771428,245.00122609946908,205.38008245108693,149.96526845449614,127.59443643888521,100.16873120218666,61.50297059078055,31.083744430930263,7.149062666666667,7.3482959999999995,7.272316444444444,7.215898000000001,7.094728,7.043433806451619,6.992827157894736,6.863615999999999,6.718464,1.6725728118328576,2.027374686363636,1.8024025551263054,1.585800083622636,1.2509215841667969,1.113934913499678,0.955272512839105,0.6878606885402729,0.44461290484899996,154.47211605869003,138.7617159185909,144.07072123977912,147.63585986119085,156.2843798593009,159.98184695876745,163.450839215876,173.3557959110312,184.91765202424895,2.3968253968253967,2.8232323232323235,2.540123456790124,2.3813131313131315,2.015151515151515,1.8602150537634408,1.7192982456140349,1.3636363636363635,1.0,0.05629043386416741,-0.002759782155481181,-0.011172707729005379,-0.01340796561438137,-0.011029852725899762,4.0605857041116486E-4,-0.0019480959712795867,0.006623602012108341,0.005143526681444062,634.1552852380952,27.452609750566335,25.530927068026635,-267.93747116553334,-169.93165435600895,-71.37678535147359,-72.20036364399056,111.73212168480762,99.65297339455796,1179.2388323006903,51.049300099597275,47.47584909262548,-498.2411689720665,-315.9951676165057,-132.72818025895242,-134.25965926194033,207.7706514053595,185.30895936153695,0.12422666666666651,0.005377777777779203,0.005001333333334808,-0.05248711111111001,-0.033288444444445064,-0.01398222222222319,-0.014143555555556454,0.02188755555555455,0.0195213333333329,5.271746253970954,0.22821412354853443,0.21223913490013796,-2.227369845833607,-1.412645424765378,-0.593356721226173,-0.6002031449326286,0.9288314828424953,0.8284172684811473,28.636209320447108,1.2396627411449141,1.1528863492647745,-12.09910835357418,-7.673512367686929,-3.223123126976748,-3.26031300921109,5.045427356459717,4.49997575035597,4.57142857142857,-0.6621315192743773,0.6235827664399076,-1.578231292517009,-0.9591836734693898,-0.2562358276643999,-0.7233560090702957,0.5895691609977328,0.6802721088435376,0.0026804968506746385,-1.2544464343096278E-4,-3.1035299247237166E-4,-3.047264912359402E-4,-2.506784710431764E-4,1.3098663561650479E-5,-1.0253136690945193E-4,6.021456374643946E-4,0.0017145088938146872,30.19787072562358,1.2478458977530151,0.7091924185562954,-6.089487981034849,-3.862083053545658,-2.3024769468217285,-3.800019139157398,10.157465607709783,33.21765779818599,56.15423010955668,2.320422731799876,1.3187735859062633,-11.323662931183328,-7.181708354920584,-4.281554201901691,-7.066297855891596,18.888241036850864,61.76965312051232,0.005915555555555548,2.4444444444450926E-4,1.389259259259669E-4,-0.001192888888888864,-7.565555555555697E-4,-4.5103942652332873E-4,-7.443976608187608E-4,0.0019897777777776863,0.006507111111110967,0.25103553590337874,0.01037336925220611,0.005895531525003832,-0.0506220419507638,-0.03210557783557677,-0.019140539394392676,-0.031589639206980456,0.08443922571295412,0.27613908949371574,1.3636290152593862,0.056348306415677916,0.0320246208129104,-0.2749797353085041,-0.1743980083565211,-0.10397171377344348,-0.1715954215374258,0.45867521422361063,1.4999919167853235,0.2176870748299319,-0.03009688723974442,0.017321743512219656,-0.035868893011750204,-0.021799628942486132,-0.008265671860141932,-0.03807136889843662,0.05359719645433935,0.22675736961451254,-0.04679902660560498,-0.11578189035896862,-0.11368283874657245,-0.09351940517299419,0.004886655083498327,-0.038250881318381856,0.2246395616218852,0.639623543442393,0.04132231404958594,0.023484848484847956,-0.20165289256198385,-0.127892561983471,-0.07624633431085008,-0.12583732057416205,0.3363636363636375,1.1000000000000016,0.041322314049587014,0.023484848484848626,-0.20165289256198343,-0.12789256198347124,-0.0762463343108506,-0.12583732057416294,0.33636363636363603,1.0999999999999994,0.04132231404959779,0.02348484848485544,-0.20165289256197952,-0.12789256198347362,-0.07624633431085581,-0.12583732057417082,0.3363636363636213,1.099999999999977,0.041322314049588284,0.02348484848484944,-0.20165289256198277,-0.12789256198347118,-0.0762463343108511,-0.12583732057416372,0.3363636363636342,1.0999999999999965,0.04132231404958737,0.023484848484848907,-0.20165289256198332,-0.1278925619834714,-0.07624633431085084,-0.12583732057416316,0.3363636363636356,1.099999999999999,-0.13825757575757597,0.07957175925925906,-0.16477272727272754,-0.1001420454545457,-0.037970430107527015,-0.17489035087719326,0.24621212121212147,1.0416666666666672,0.9464100258852446,0.9702672691738888,1.0683738568189556,1.0822738873324216,1.0341320319066851,1.034088335658235,0.6634699172807353,0.20563884696743082,0.8677685950413226,0.901515151515152,1.12809917355372,1.0847107438016539,1.0469208211143701,1.1052631578947374,0.694214876033058,0.0,0.8677685950413221,0.901515151515151,1.1280991735537182,1.084710743801652,1.046920821114369,1.1052631578947367,0.6942148760330576,0.0,0.8677685950413222,0.9015151515151514,1.1280991735537185,1.0847107438016526,1.0469208211143692,1.1052631578947367,0.6942148760330579,0.0,0.8677685950413222,0.9015151515151514,1.128099173553719,1.0847107438016528,1.0469208211143695,1.105263157894737,0.6942148760330576,0.0,0.8677685950413223,0.9015151515151519,1.1280991735537194,1.0847107438016534,1.04692082111437,1.105263157894737,0.694214876033058,0.0,1.0716540404040404,0.7831790123456793,1.0992739898989898,1.0661300505050508,1.011424731182796,1.2024853801169595,0.7954545454545456,0.0,37.25766908976554,18.62883454488277,27.06826548470808,37.25766908976554,3.3870608263423225,18.628834594921674,-3.552713678800501E-15,0.09565938490453396,0.008696307718593997,-2.5816576178448827,72.04665479326134,6.549695890296485,4.705045281645836,37.25766908976554,18.62883454488277,27.06826548470808,37.25766908976554,3.3870608263423225,18.628834594921674,-3.552713678800501E-15,0.09565938490453396,0.008696307718593997,-2.5816576178448827,72.04665479326134,6.549695890296485,4.705045281645836,37.25766908976554,18.62883454488277,27.06826548470808,37.25766908976554,3.3870608263423225,18.628834594921674,-3.552713678800501E-15,0.09565938490453396,0.008696307718593997,-2.5816576178448827,72.04665479326134,6.549695890296485,4.705045281645836,37.25766908976554,18.62883454488277,27.06826548470808,37.25766908976554,3.3870608263423225,18.628834594921674,-3.552713678800501E-15,0.09565938490453396,0.008696307718593997,-2.5816576178448827,72.04665479326134,6.549695890296485,4.705045281645836,37.25766908976554,18.62883454488277,27.06826548470808,37.25766908976554,3.3870608263423225,18.628834594921674,-3.552713678800501E-15,0.09565938490453396,0.008696307718593997,-2.5816576178448827,72.04665479326134,6.549695890296485,4.705045281645836,37.25766908976554,18.62883454488277,27.06826548470808,37.25766908976554,3.3870608263423225,18.628834594921674,-3.552713678800501E-15,0.09565938490453396,0.008696307718593997,-2.5816576178448827,72.04665479326134,6.549695890296485,4.705045281645836,40.644040418574164,19.967915132214735,29.09541527342177,40.61098256733449,3.691907506121317,19.967915145687968,-0.07272727272728474,0.12406849615823085,0.011278954196202805,-2.295613625266024,65.4098056619717,5.946345969270155,4.598739398982867,0,11.849999999999993,12.150126647608326,-0.20603036761663152,0.09414203506617491,6.095978034109327,9.180137524279411,12.0,22.0,17.0,11.0,1.0,5.0,0.0,0.0,0.0,11.0,10.932069999999998,3.988346138228924,3.3655211508234752,2.9019171296510105,2.670698567446758,2.3032977642103583,1.9929470828391562,1.1298670956190677,0.7511728253008303,2.1132293534612647,1.6575359377114112,1.3080170464491225,1.158512854720041,0.8504041594841437,0.6968492926738308,0.3626695048922642,0.2383758889906173,3.995768091262992,3.3820057632862204,2.921734621840091,2.6994033857669364,2.3379511115792573,2.0457043829815684,1.2219037062760594,0.8785566085469664,2.0923475187604783,1.6075667340790913,1.2337101588679222,1.0885598939752585,0.7639348282871465,0.6007499959005096,0.2098706922761031,0.07057575765983203,4.029697076354236,3.4593271011887827,3.0201742379554193,2.8410730864029587,2.4934534952329495,2.265854233915448,1.6242575924263436,1.3952893999030276,2.0367746298824736,1.4757970638221014,1.0424044392440457,0.8713138852866534,0.5249392450065813,0.3078733879891589,0.29875945115020314,0.5119316223986645,4.00129733505655,3.39439591425289,2.936886248888751,2.7215091890604697,2.36371835162013,2.0838829896911313,1.290194507519113,0.9707054450563416,2.079627736007024,1.577158975801525,1.188204394364268,1.042981219104423,0.7102792613455969,0.5388721034971835,0.10750117732536958,0.04334081858743157,4.047173321477532,3.5001639783716016,3.0761309820464997,2.915172326300131,2.570656690845895,2.3674699324254718,1.8091778230519369,1.61569133871964,2.0208731207221895,1.4389411628310942,0.9932915756097129,0.8033085471379643,0.453723134196034,0.21170101789208712,0.47556301723651884,0.7275270754910534,3.984414964741804,3.418994355836663,2.9622396321190423,2.744161720112034,2.408831982403322,2.128786738427247,1.3773471176818495,1.071057524536147,2.0925358189351604,1.5417948811834143,1.1358387873891613,0.9930544418893784,0.6550049254685268,0.48392378721052676,0.0013215275488692973,0.15760715419010143,0,0,0,7,3,1,0,0,0,0.0,0.0,0.0,0.15137471507731048,0.2821175568066728,0.0,0.0,0.0,0.051834038994012184,0.0839090539489914,0.6220084679281462,0.0,0.08333333333333333,0.0,0.3333333333333333,0.0,0.027777777777777776,0.0,1.2919737681478412,1.9542517707870113,2.711064599685314,0.5580127018922193,0.7053418012614795,0.826774548573967,7.681798275874712,5.360173345306138,4.722840606255543,3.8018716965365393,3.108068805338923,2.609602715200687,1.4370442853073497,0.8119290595772591,0.698345297806792,0.4466811121088448,0.29517753789097145,0.19009358482682698,0.12432275221355692,0.08418073274840926,0.05987684522113957,0.040596452978862954,6.5414518843273814,3.8153841409022116,2.8506049518030756,1.904967731246846,1.3087426863819087,0.9228453295648739,0.42789641593613004,0.19683639119627505,0.594677444029762,0.31794867840851765,0.17816280948769223,0.0952483865623423,0.05234970745527635,0.02976920417951206,0.017829017330672086,0.009841819559813753,13.709139018929374,20.439184268026217,19.62745098039216,19.8,14.992772455089817,155.59744311377247,0.6528161437585416,0.9732944889536294,0.9346405228758172,0.9428571428571428,0.7139415454804675,7.409402053036784,2.867820000000002,47.58800000000002,77.22193472640522,93.59608076567488,154.44386945281045,14.040351768437311,77.22193472640522,0.04582434809453184,0.004165849826775622,-3.391233682469746,93.03013459280598,8.457284962982362,4.986215815401914,108,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,1.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.8825,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0498285147392292,0.0,0.0,0.0,0.0,3.0498285147392292,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1175,0.0,0.0,0.0,0.0,14.915555555555555,0.0,0.0,0.0,0.0,1.3228703703703706,2.6440740740740747,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3176851851851854,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4222222222222222,0.0,0.0,0.0,0.0,0.4222222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1175,0.0,0.0,0.0,0.0,2.0671296296296298,0.0,0.0,0.0,0.0,1.3228703703703706,1.3176851851851854,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2037037037037037,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4448979591836735,0.0,0.0,0.0,0.0,0.4448979591836735,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1175,0.0,0.0,0.0,0.0,2.2037037037037037,0.0,0.0,0.0,0.0,1.3228703703703706,1.326388888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.0,1.9090909090909092,0.4448979591836735,2.2037037037037037,0.1875,1.3176851851851854,6.522205925925926,0.3489814814814814,0.20370370370370366,2.0661111111111103,0.3489814814814814,0.20370370370370366,2.0661111111111103,5.5,0.5,0.0,0.0,0.50952,0.7,0.44194,0.44194,0.7,0.06759,0.06759,-0.0,0.0,0.71429,0.0,0.0,0.09091,0.27273,0.0,16.0,1.45455,6.0,0.54545,10.0,0.90909,4.0,0.36364,0.0,0.0,5.26718,0.47883,12.97475,7.70757,0.70069,2.11335,0.19212,5.36015,3.24681,0.29516,0.05385,0.0049,0.22585,0.02053,0.47619047619047616,34.0,0,0,0,0,0,0,0.09090909090909091,0.998363672593813,2.199086165113526,2.813209829505895,3.52257158913636,3.594465636961452,3.844232898763192,20.96563712447007,46.180809467384044,59.0774064196238,73.97400337186356,75.48377837619049,80.72889087402703,0.22729770562943674,0.500666494117425,0.6404841815203198,0.8019847497514959,0.8183528854996652,0.8752174601104245,3.3939537501849477,2.193231257665235,1.5791075932728655,0.8697458336424009,0.7978517858173086,0.5480845240155685,0.20880329705581854,0.4599290362724942,0.5883702540824083,0.7367300935698973,0.7517664121346208,0.8040041178849836,6.377551320619961,16.173219439404214,23.54270341211265,25.304489756687985,24.72520854768732,28.11755166573378,37.34828698075439,33.47770282218621,24.893970336430307,22.09630972816884,22.843880490121595,18.414400822137868,7.638888888888889,3.1640625,1.6,0,10,0,2.67,1.2263000000000006,0.0,1.9681153135510978,1.3103706971044482,0.0,8.780973944665202,10.61787551781312,0.0,1.6509636244473134,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.193,0.184,0.895,1.4000000000000001,5.845999999999999,16.0,20.0,25.0,31.0,24.0,20.0,18.0,15.0,2.0,194.0,2.917770732084279,3.56953269648137,4.193435464866331,4.808111029984782,5.410529357154965,5.527815683500254,5.768125664217802,6.05946995204361,6.290099599665153,4.355255447327337,7.64265527071807,10.743677512886597,0.5,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,3.0,0.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.08333333333333333,0,3.0,6.0,1.0,2.0,1.1111111111111116,0.4375,0.5555555555555557,0.08333333333333334,0.04,0.0,0.0,0.0,0.0,0.16666666666666666,0.06944444444444448,0.03125,0.06944444444444446,0.020833333333333336,0.04,0.0,0.0,0.0,0.0,0.39763888888888893,26.784809668709215,39.18469576715644,53.56961933741843,4.869965394310767,26.784809668722747,0.024155823163646117,0.0021959839239678288,-4.095552783476887,76.7553501150659,6.977759101369627,4.774685401615156,0.0,139.11707867973357,4.459431618637298,4.04305126783455,4.859812404361672,5.707110264748875,6.543911845564792,7.394493107219038,8.236685322712457,9.087155271405804,9.931054080253933,10.78109982421129,89.58437338831241,3.2188758248682006,0.0,4.48863636973214,0.0,5.983936280687191,0.0,7.581209826196346,0.0,9.225721474014485,9.444146871458646,142.07825032,6.765630967619048,22.509724421977143,2.046338583816104,0.0,0.0,0.0,144.0,14.0,3.6159999999999997,56.0,1.2538412443442224,2.2211771698956753,3.0997713263527613,3.9901371637274705,5.137074257748755,6.126236497853735,7.032937959752581,7.9013915120941265,0.0,0.0,114.5294601471382,165.79371994315198,173.1620801731672,145.11144835878142,136.10835061184204,94.73311856028504,35.34465272279314,8.028319465344406,0.0,0.0,375.9871848949917,570.5897370169346,659.8444957906136,637.4478188600267,668.6864495379551,626.3087552535602,431.29603341152796,245.6048344106554,0.0,0.0,9.24228375243752,16.19856184415535,22.416955192842696,28.416926313703524,36.21189654691923,42.88504311040318,48.26541826730026,53.08521442390995,0.0,0.0,2.6556569849088736,4.15371793132649,5.054812403724692,5.244480669953787,5.802537928399751,5.942028779000965,4.827681561447324,3.5130606325414018,0.0,0.0,172.1991388823716,316.9493953494045,454.139030518535,615.5435888539809,819.7454568889528,997.833098780396,1219.6758688198222,1461.1067661407762,0.0,0.0,3.6362192892361644,5.803823995830792,7.549803573837866,8.362419633921032,9.676974092199446,10.66219207506153,9.575420750129295,7.9013915120941265,0.0,0.0,0.5433613817618071,0.8551955424170323,1.0505871823962725,1.1047574124494817,1.234425160098455,1.2818695958112076,1.0700184790345004,0.8091024908384385,0.0,0.0,281.4145760303067,145.93280377337922,13.750694258565721,204.1646452742483,-105.87340405942503,-9.66861014040285,77.2499307560584,251.80620783280426,23.41930439896857,0.5795441066737979,0.3005334605984926,0.02831812741414916,0.4204558933262022,-0.2180352853134572,-0.019911498919634996,136.64907069254784,70.86193721906791,6.677051410471359,99.13810947019019,-51.409925100038116,-4.69487618307414,0.12076322912638905,0.1179526376869769,2.9600552221143106,1.6173208066204987,485.579221304555,0.0,1.0,0.0,913.6407562240646,30.226490967759798,9.703427265989227,1011.9973030971798,31.81190505293859,10.039832139729564,1600.1811548102546,40.00226437103598,11.696512352758647,1.4632360807225828,1.4632360807225828,756.0970027062167,589.4744823370471,169.99364052892258,1.2826628214822349,4.447795813735603,3.4676266741681694,4.326153900487528,4.359645622648054,7.951795460621055,0.823954547890781,3.360759122762555,3.6058642351667394,4.191081726944236,13.483477498024168,0.18554782173340428,5.54133002955164,6.114329061264633,5.585721598701737,5.163524826060351,2.6866883900711116,7.337938642265975,2.038579772792529,2.8139411603971447,1.1228603705778104,1.6015936866701952,1.7409349214873648E-13,3.69505973392538E-48,1.5131300494406176E-104,1.19549201249494E-182,1.8223525893486606E-282,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.28217831716824104,3.6058026671557943,0.3394133108421896,6.375883263021771,0.030880227528351144,0.6558631654490584,1.1730202927238522,0.4705296119474632,2.0366522720230584,0.4070271270009028,0.769458735485328,0.3728003489475109,0.12244096746672742,0.08194142084754955,0.011280155290130156,1.2261547000075908E-15,2.6024607833649487E-50,1.0657098659720332E-106,8.419947993747238E-185,1.2834978291961851E-284,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9105822926038245,3.60580700669207,1.1036417372633913,7.12118137547469,0.062450605766718494,1.4416423442564674,2.1716133087986873,1.502247418387225,2.3772820168430746,0.6475245933839914,1.8728529614212361,0.4938616093127629,0.4701835104462128,0.2726167535039711,0.11754791516744209,1.2777477344321957E-14,2.711964787047356E-49,1.110551847005418E-105,8.774234990887237E-184,1.3375036962252104E-283,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1722906118365817,3.6058575552915446,3.9475098293556177,12.798768401990474,0.1760789789813102,5.1674416810751085,5.808276177476029,5.268185818584367,4.866807725988649,2.467591755432477,6.8518464612175665,1.8591412143420236,2.5778323474348768,1.0514245006598963,1.426991140463299,1.5511416720494573E-13,3.29223169876269E-48,1.348171632350493E-104,1.0651618600417803E-182,1.6236833483074317E-282,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3419619214107803,3.6058124286539965,1.6347866766129209,7.8422866973874275,0.08412285147226736,2.0438386311768837,2.860095247227478,2.2141717381413977,2.6994866428891515,0.8793752449904543,2.70077933253102,0.6419800763248178,0.7687719318277235,0.4099817928611516,0.2553297792748169,2.775438820307515E-14,5.8907499081757545E-49,2.4122670109939543E-105,1.905881087163944E-183,2.9052367543096016E-283,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.058573188131567,3.60589227264837,5.101747346554594,16.302034690552805,0.22060691549016817,7.010604128401506,7.251535326691188,6.766395222244389,6.381686082664047,3.5882133624273513,9.233065988772545,2.790910836633671,3.7691437403762578,1.3961111378720628,2.335773871714232,2.5389899671871404E-13,5.3888973544045333E-48,2.2067579707671415E-104,1.7435127460041854E-182,2.6577299840023558E-282,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8442929077486976,3.264529003872068,2.118879893997628,8.727743512074055,0.1087341578961488,2.480581915949248,3.5506011410083294,2.999181836327038,3.202186864068759,1.205983503972914,3.6301475150847513,0.8728055324335039,1.138326517251591,0.5723023095619205,0.43943953761298316,4.7767148639449233E-14,1.0138372512584376E-48,4.151672017739563E-105,3.280148152197001E-183,5.000105744017867E-283,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.046645369760267,2.1197688261899352,0.0796373394255081,0.7332776594737553,0.25706470752651606,0.5591921052256369,0.4814931665954508,0.09524327299595864,8.24605153537571,13.467841857055701,22.73464422264217,0.599916489210633,1.1359285448170464,4.187657377547582,1.1860804178488054,0.011855426778834091,0.7775665938349876,0.2202320838055704,0.2692615079405807,0.15175161519606006,0.0021107417417881532,5.385593222175221,5.030606367131244,10.475084289749846,0.6663498907524813,0.4231238648784289,4.7681361243757925,1.4788104549937409,0.0330493473249607,0.7592578371122486,0.23547952454996574,0.3484696721695795,0.23550002957941776,0.016403122689031924,6.279995926694494,7.257627058782316,13.770659537033513,0.6388867556683728,0.6003728244380292,5.98061851434953,2.0867652249841213,0.0772337405948856,0.734303179871623,0.25621402479941036,0.5470863448557756,0.4667426278426662,0.08958080525504651,8.144617479928538,13.10322096264389,22.211726858447953,0.6014547698074346,1.1034097779534882,5.0831416922243715,1.6371526601260218,0.04453811752920901,0.7514068847760895,0.24200934279088795,0.39575374853149764,0.28830598029248644,0.029789587718810028,6.764832469879602,8.62118820291848,15.75666149523518,0.6271103271641343,0.713849316542794,6.263214927523353,2.2279605857322036,0.0875197217633631,0.7300894548574718,0.25970855994947706,0.5998353180696117,0.5314269310926653,0.11503041636739213,8.578695235018918,14.697341316855617,24.497303903093954,0.5951341822862076,1.246292665529669,5.98445126182023,2.0868938429541832,0.07708190811857306,0.7344302467643424,0.2561100246283313,0.5478002233553506,0.4668383080482899,0.0892289407993731,8.148427012892988,13.111069173511549,22.222165545758482,0.6016453701465138,1.1038674722030137 +UMLCN0335,L,n-pentylbenzene,CCCCCC1=CC=CC=C1,Aromatics,,C11H16,NREL (2014),Blend,PubChem,,18,0,0.4574999999999996,0.2093062499999996,49.2346,30.028687999999978,6,6,27,11,16,0,11,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1603.1623549999981,1780.6187389999993,2089.3874519999986,1840.314345999997,1371.2007189999972,1152.2619419999976,955.5052129999999,648.7734989999999,289.63485700000035,5156.025830137508,6494.471781170925,8627.150906753512,8475.846502459837,6861.0859481002835,5686.981859265986,4680.183514310866,3531.9106278561117,2058.6246149961976,190.44110000000006,196.82778799999994,343.9267680000001,443.8579599999998,399.8835159999999,336.20028,273.3153800000002,210.80593200000015,166.45603600000004,37.79170647758402,48.49460896,68.87187532394297,72.19035751667795,60.483024586678084,50.12363291698008,41.102104057584064,31.743082318490004,20.373242268187987,4353.420349377985,3844.6986803964,7256.509720923846,10082.93088453338,9243.18017312468,7827.815226708783,6348.860071670186,4832.642899631791,4030.154205222889,51.77777777777778,62.91666666666667,94.83333333333333,107.25,92.0,77.66666666666666,65.5,53.5,37.5,59.37638351851845,65.94884218518516,43.52890524999997,29.211338825396776,24.056152964912233,24.00545712499995,24.500133666666663,21.6257833,12.068119041666682,190.96391963472252,240.53599189521944,179.73231055736483,134.53724607079107,120.36992891404006,118.47878873470803,120.0047054951504,117.73035426187039,85.77602562484157,7.0533740740740765,7.289918074074072,7.165141000000002,7.045364444444441,7.015500280701752,7.0041725,7.008086666666671,7.026864400000005,6.935668166666669,1.399692832503112,1.796096628148148,1.4348307359154786,1.1458786907409197,1.0611056945031243,1.044242352437085,1.053900104040617,1.0581027439496669,0.8488850945078328,161.23779071770315,142.3962474220889,151.17728585258013,160.04652197672033,162.16105566885403,163.0794838897663,162.7912838889791,161.08809665439304,167.92309188428703,1.9176954732510287,2.3302469135802473,1.9756944444444444,1.7023809523809523,1.6140350877192982,1.6180555555555554,1.6794871794871795,1.7833333333333334,1.5625,0.060763863842743016,-0.0010642711209392416,-0.023784825240465466,-0.01195372654504504,-0.00434001365362422,0.008722489621747452,0.0034224512025032017,-0.008222923232130905,-8.904843252860357E-4,789.1710216296301,-9.166001291305292E-13,-196.79454137860154,-38.86069424691384,-78.71781655144032,13.949992806584522,7.971424460905531,-168.39634173662552,-37.86426618930004,1467.4972135297473,3.694822225952521E-13,-365.94785312136946,-72.26312036320721,-146.3791412485481,25.940607309869257,14.823204177068057,-313.14018824056495,-70.41021984107383,0.15459318518518497,1.5040052536718918E-15,-0.038550699588476095,-0.007612543209876592,-0.015420279835391373,0.002732707818929537,0.0015615473251025047,-0.03298768724279848,-0.007417349794239307,6.56039533827497,1.637578961322106E-14,-1.6359571708450664,-0.3230497704453582,-0.6543828683380375,0.1159665842624309,0.06626661957853108,-1.3998823385965529,-0.314766442998048,35.6361715987786,-1.8562928971732617E-13,-8.88654531661478,-1.7548114802428927,-3.55461812664581,0.6299323262410947,0.35996132928063673,-7.6041830810524935,-1.7098163140827367,4.662551440329218,0.3899176954732525,0.04023776863283127,-0.11694101508916342,-0.9583904892546871,-0.39391860996799366,0.1355738454503888,-1.1497485139460446,-0.5395518975765896,0.0022505134756571486,-3.941744892367562E-5,-4.955171925096972E-4,-1.897416911911911E-4,-7.614059041446E-5,1.8171853378640525E-4,8.775515903854364E-5,-2.740974410710302E-4,-3.7103513553584824E-5,29.228556356652966,-3.394815293076034E-14,-4.099886278720866,-0.61683641661768,-1.3810143254638654,0.29062485013717754,0.20439549899757772,-5.61321139122085,-1.5776777578875016,54.3517486492499,1.3684526762787114E-14,-7.623913606695197,-1.1470336565588446,-2.5680551096236512,0.5404293189556095,0.38008215838636045,-10.438006274685499,-2.9337591600447426,0.0057256735253772215,5.570389828414414E-17,-8.031395747599186E-4,-1.2083401920439035E-4,-2.705312251823048E-4,5.693141289436535E-5,4.003967500262833E-5,-0.0010995895747599493,-3.090562414266378E-4,0.24297760512129518,6.065107264155948E-16,-0.03408244105927222,-0.005127774134053305,-0.011480401198912938,0.0024159705054673103,0.0016991440917572072,-0.046662744619885094,-0.013115268458252,1.3198582073621705,-6.875158878419488E-15,-0.18513636076280793,-0.027854150480045917,-0.06236172152010193,0.013123590130022808,0.00922977767386248,-0.25347276936841645,-0.07124234642011402,0.17268709038256363,0.014441396128638982,8.382868465173181E-4,-0.0018562065887168797,-0.01681386823253837,-0.008206637707666534,0.003476252447445867,-0.038324950464868154,-0.022481329065691235,-0.017514869095447538,-0.2201796158385617,-0.08431039993474673,-0.03383254143467281,0.08074536578073302,0.038993394168821485,-0.1217932903027803,-0.01648668801805358,-1.1614721068162885E-15,-0.1402698863636368,-0.021103896103896232,-0.047248803827751165,0.009943181818181926,0.006993006993007148,-0.19204545454545444,-0.053977272727272166,2.517771203848098E-16,-0.14026988636363613,-0.02110389610389609,-0.04724880382775123,0.009943181818181813,0.006993006993006947,-0.19204545454545469,-0.0539772727272728,9.728794007771205E-15,-0.1402698863636319,-0.021103896103896267,-0.04724880382775257,0.009943181818179997,0.00699300699300532,-0.19204545454545552,-0.053977272727277335,2.496158961287081E-15,-0.14026988636363485,-0.021103896103896094,-0.04724880382775147,0.009943181818181351,0.006993006993006574,-0.19204545454545452,-0.053977272727273845,-5.2090132410207734E-15,-0.140269886363639,-0.021103896103896187,-0.04724880382775072,0.009943181818182746,0.006993006993007862,-0.19204545454545424,-0.053977272727270355,0.08362753751103297,0.004854368932038945,-0.01074895977808601,-0.09736609838807082,-0.047523168578993934,0.020130355081811414,-0.22193292144748453,-0.13018534863195075,1.1407474882002506,1.178877027865204,0.9697673895814577,0.9277319436356267,0.8167042940306813,0.9281062742634192,1.2277349792262655,1.079698647887125,1.1818181818181817,1.2049005681818183,0.9813311688311689,0.9796650717703351,0.9140625000000001,0.9204545454545454,1.1301136363636364,0.9140624999999998,1.1818181818181819,1.204900568181818,0.9813311688311686,0.9796650717703346,0.9140624999999999,0.9204545454545454,1.1301136363636364,0.9140625000000004,1.1818181818181819,1.204900568181818,0.9813311688311687,0.9796650717703348,0.9140624999999999,0.9204545454545454,1.1301136363636364,0.9140625000000001,1.1818181818181808,1.2049005681818172,0.981331168831168,0.9796650717703341,0.9140624999999992,0.9204545454545446,1.1301136363636355,0.9140624999999992,1.181818181818183,1.2049005681818192,0.9813311688311694,0.9796650717703358,0.9140625000000011,0.9204545454545464,1.1301136363636375,0.9140625000000006,1.0842894969108563,0.9600479920564873,0.9035745807590466,0.9592836902494541,0.94391273168579,0.9532215357458077,1.3940864960282437,1.190782215357458,59.993365770123994,29.996682885062015,47.93384901976745,59.99336577012403,5.4539423427385465,29.9966828850625,3.552713678800501E-14,0.32956903917394353,0.029960821743085776,-1.2209663618944226,64.17512907293366,5.834102642993969,4.5777773118222385,59.993365770123994,29.996682885062015,47.93384901976745,59.99336577012403,5.4539423427385465,29.9966828850625,3.552713678800501E-14,0.32956903917394353,0.029960821743085776,-1.2209663618944226,64.17512907293366,5.834102642993969,4.5777773118222385,59.993365770123994,29.996682885062015,47.93384901976745,59.99336577012403,5.4539423427385465,29.9966828850625,3.552713678800501E-14,0.32956903917394353,0.029960821743085776,-1.2209663618944226,64.17512907293366,5.834102642993969,4.5777773118222385,59.993365770123994,29.996682885062015,47.93384901976745,59.99336577012403,5.4539423427385465,29.9966828850625,3.552713678800501E-14,0.32956903917394353,0.029960821743085776,-1.2209663618944226,64.17512907293366,5.834102642993969,4.5777773118222385,59.993365770123994,29.996682885062015,47.93384901976745,59.99336577012403,5.4539423427385465,29.9966828850625,3.552713678800501E-14,0.32956903917394353,0.029960821743085776,-1.2209663618944226,64.17512907293366,5.834102642993969,4.5777773118222385,59.993365770123994,29.996682885062015,47.93384901976745,59.99336577012403,5.4539423427385465,29.9966828850625,3.552713678800501E-14,0.32956903917394353,0.029960821743085776,-1.2209663618944226,64.17512907293366,5.834102642993969,4.5777773118222385,73.64333945475332,36.403673262412404,59.9711765414733,73.55059381655315,6.686417619686649,36.403673262412404,-0.20404040404040558,0.43736962231773163,0.03976087475615742,-0.9096742861008197,51.04695638223802,4.640632398385275,4.326020514755465,0,11.849999999999993,12.150126647608326,-0.21004416769780893,0.09010388665490837,5.167069235309166,8.67978882920316,11.0,27.0,24.0,21.0,5.0,3.0,0.0,0.0,0.0,6.0,17.491311999999997,3.7849504511893817,3.3770528102970725,2.968138690559239,2.6191819138397165,2.541369776913065,2.049918071527198,1.532949973891357,1.1766991012708012,1.9929078424929374,1.8168983476912401,1.5123685983627608,1.1503362948903617,1.082250302016948,0.8760975615670498,0.6878338914854377,0.5400213413151832,3.7972921890440494,3.40734831408632,3.0028600065107565,2.645815031898682,2.5796595739029975,2.113647325454725,1.6274065646394829,1.2961574963857878,1.9579958913076732,1.7546228798149954,1.4321843109924,1.0567986992058016,1.0071675921888017,0.7705295087023872,0.5504799653930976,0.3851558143706223,3.8537335751229858,3.5400066439994826,3.16159878453521,2.7718202154797913,2.752675540697085,2.381635160286923,2.0154273031214567,1.7682392166880918,1.8655058683803603,1.5663109261048798,1.194083098034424,0.79862023148435,0.7882590021195224,0.43219127494728815,0.08695440641560079,0.1474608244660141,3.806488941539886,3.4296486723377244,3.028828747490455,2.6659250192640314,2.6080912348321794,2.1600632856721655,1.69569062988168,1.3813073143192462,1.9367969671555443,1.7144238418185969,1.380752677607669,0.9975435484286811,0.9602789912487906,0.7012137693167159,0.4580510636141071,0.2804072357778135,3.8828006801291752,3.60403091520486,3.2410861134140245,2.8401204241069133,2.838078587645887,2.5031304632519342,2.186427584067955,1.9686579922539262,1.8390549517159074,1.5065179422372066,1.1206542221322864,0.7385642758080623,0.7080368256638923,0.31597214463243156,0.07825720728003474,0.34331557266733315,3.875694248893117,3.3824284385899803,3.040308532044903,2.7914016352402506,2.6542316598621922,2.2005728245115277,1.742056639175689,1.4483385622668181,1.9068604022592939,1.707349672753307,1.3451831781236951,0.9347618221140608,0.8272854367265103,0.6160422543024302,0.36918266202754524,0.1817559241468213,0,0,0,5,1,1,4,0,0,0.0,0.0,0.0,0.10206207261596577,0.07216878364870323,0.0,0.0,0.0,0.032075014954979206,0.022680460581325723,0.20412414523193154,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.4330127018922194,0.6123724356957946,0.6495190528383291,0.21941609682128765,0.2730017401615745,0.25598544629150227,7.9413112998685556,5.431851652578137,3.9998177605352474,2.9406706976806576,2.158827502865515,1.5732065839209273,0.7814744144215575,0.4505237851453038,0.7219373908971414,0.49380469568892155,0.33331814671127064,0.2262054382831275,0.15420196449039394,0.10488043892806181,0.07814744144215575,0.05631547314316297,7.215178470694321,4.47134377430278,2.942705340840036,1.9118298825622122,1.2238013830742889,0.754431252221816,0.39662875909292405,0.20280458078670066,0.6559253155176655,0.4064857976638891,0.245225445070003,0.14706383712017018,0.08741438450530635,0.05029541681478773,0.039662875909292405,0.025350572598337583,15.334622430286998,26.102694828841948,24.80392156862746,25.079999999999995,17.388435928143714,204.45412455089823,0.5679489788995185,0.9667664751422943,0.9186637618010169,0.9288888888888887,0.6440161454868042,7.572374983366601,3.4193000000000024,49.671000000000035,51.95745349855638,77.50879761058772,103.91490699711278,9.446809727010251,51.95745349855638,0.16745524311114884,0.01522320391919535,-1.9657430856022176,60.22890153014555,5.4753546845586865,4.507967561867476,135,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,5.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,4.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.178656226379442,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.006906848387503,0.0,1.3659403738347191,0.0,0.0,2.006906848387503,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.241064814814815,0.0,5.246945625472411,0.0,0.0,10.705554374527589,0.0,0.0,0.0,0.0,1.473101851851852,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.473101851851852,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38455073696145126,0.0,0.22804744583018394,0.0,0.0,0.38455073696145126,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.241064814814815,0.0,1.2447222222222223,0.0,0.0,2.0727388038548753,0.0,0.0,0.0,0.0,1.473101851851852,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2040277777777777,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4209608449861426,0.0,0.35930555555555554,0.0,0.0,0.4209608449861426,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.241064814814815,0.0,1.356045918367347,0.0,0.0,2.2040277777777777,0.0,0.0,0.0,0.0,1.473101851851852,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.666666666666664,1.7878787878787876,0.4209608449861426,2.241064814814815,0.12715277777777778,1.2447222222222223,6.992748919831821,0.25527777777777777,0.2410648148148148,1.8932383786848073,0.25527777777777777,0.2410648148148148,1.8932383786848073,5.5,0.5,0.0,0.0,0.46296,0.7,0.43333,0.43333,0.7,0.02963,0.02963,-0.0,0.0,0.71429,0.0,0.0,0.09091,0.09091,0.0,11.5,1.04545,5.5,0.5,6.0,0.54545,0.5,0.04545,0.0,0.0,7.71013,0.70092,12.43916,4.72903,0.42991,3.44966,0.31361,5.43185,1.98218,0.1802,-0.01785,-0.00162,0.06815,0.0062,0.2222222222222222,11.0,0,0,0,0,0,0,0.45454545454545453,0.9751190649408661,2.3094091223098627,3.2501026694564064,3.8841550945958043,3.954530447554699,4.134336113194452,26.328214753403383,62.35404630236629,87.75277207532297,104.87218755408672,106.77232208397687,111.6270750562502,0.20507721044865684,0.48569164281154575,0.6835288254406887,0.8168763388888838,0.8316769735888371,0.8694918883597842,3.779768437222603,2.4454783798536064,1.5047848327070628,0.8707324075676648,0.8003570546087699,0.6205513889690168,0.19872443575847415,0.47064614083238304,0.6623548265708482,0.7915715704099814,0.8059137187802504,0.8425572228764437,6.784181072660866,16.958974928474117,21.819283116973118,23.57986018710808,24.465021412270694,24.646234062997856,41.99082118495734,31.084517899881952,22.77627260974643,18.966528713479374,17.853632329324412,17.21381343449967,9.090909090909092,5.625,3.78698224852071,5,6,5,2.67,1.4209,0.0,2.1868566133603333,0.19999999999999996,0.0,13.415716594466002,4.797076866257135,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.13299999999999998,0.124,0.553,0.664,5.4159999999999995,12.0,13.0,14.0,15.0,10.0,8.0,6.0,4.0,2.0,106.0,2.70805020110221,3.068052935133617,3.457892725338701,3.863357833446865,4.275797686482101,3.702843994464309,3.6260062122954264,3.498399709618518,3.2700441114426,2.7842393394597567,5.839187111662404,3.231132075471698,0.5,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.36363636363636365,5.0,0.45454545454545453,0,4.0,8.0,1.0,1.0,0.44444444444444464,0.1875,0.1511111111111111,0.09027777777777776,0.060408163265306125,0.043402777777777776,0.02040816326530612,0.0,0.0,0.09090909090909091,0.037037037037037056,0.01875,0.02158730158730159,0.015046296296296294,0.012081632653061225,0.014467592592592593,0.02040816326530612,0.0,0.0,0.23028711434068577,34.320609633576325,53.5859142957591,68.64121926715265,6.240110842468423,34.32060963357633,0.1769424902840365,0.01608568093491241,-1.9051235641390651,65.66287019606538,5.969351836005944,4.602986986537999,0.0,167.64645478213353,4.459431618637298,3.8501476017100584,4.574710978503383,5.3230099791384085,6.07073772800249,6.831953565565855,7.5883236773352225,8.35490952835879,9.115040192121858,9.884151816229386,83.59298506696545,3.1354942159291497,0.0,4.2626798770413155,0.0,5.594711379601839,0.0,7.020190708311925,0.0,8.491465042843506,8.758098072309089,148.125200512,5.486118537481481,21.706525584572546,1.9733205076884133,0.0,0.0,0.0,182.0,10.0,4.645,46.0,1.2379742126281859,2.1650709817750653,2.935551647044158,3.732819921988276,4.803879437796696,5.755821527917704,6.850150089716499,7.847245303271534,9.080821211158314,10.15998100349068,91.72403858013901,102.76440865774718,95.25653818555251,106.02377645823553,131.4299719091343,160.6443035536094,164.30864871323962,102.50831122270391,43.53963765606849,10.323190938330756,321.3314287221834,411.92838724337594,421.9257869840436,499.55459514373104,615.2418873981482,749.2120248856918,857.695854150681,706.7701495159644,541.0676517337341,315.8102529356108,9.056988608576908,15.558481017115332,20.74253066869199,26.317138089352127,33.75192591004771,40.47965521901787,48.27151444596013,54.54802226932974,62.24409951554025,68.25946661263602,2.351319141372081,3.240938332519525,3.5279876219647215,4.279376322041479,5.297897014521074,6.430437251219033,7.576182770449899,6.901513538607666,6.106962056876071,4.51725866717265,174.27454110633522,324.1333776703044,465.4838372845324,595.7712300581466,775.8788915989422,926.6155284621935,1093.3660230836329,1308.2750153756142,1580.837784501771,1878.7598317764698,2.9697508526388243,4.392657057554172,5.134174015868027,6.291781564298484,8.011497157304523,10.037979137344536,12.608443627274445,12.591803116371693,12.174579022247185,10.15998100349068,0.48437049460335463,0.677048472989619,0.7460880018574882,0.9086581620226891,1.1266409371280692,1.3665282357497561,1.6159597529722218,1.4974745615882112,1.35557716682844,1.0403820547574458,333.2686571729086,200.0221613597418,12.988418257966867,83.81065613922856,-50.30172572528777,-4.969674478048688,249.45800103368003,250.32388708502958,17.958092736015555,0.7990534330900616,0.4795782360225755,0.031141362909664357,0.20094656690993848,-0.12060470064033735,-0.011915418289589069,138.99946268213478,83.4251057071306,5.417200568043645,34.955690910789095,-20.979809223918483,-2.0727484186894003,0.10334979818083942,0.10876043960625752,2.517226455569879,1.026110747323608,417.0793133121371,0.0,1.0,0.0,788.96579299098,28.088534902891965,9.240299713667726,945.01993176761,30.741176486393783,9.813267922814608,1326.5546667899926,36.42189817664632,10.987740244296214,2.4455152933905446,2.4455152933905446,1322.4643916064658,1265.9492527804969,136.9668613185711,1.0446424994539398,9.655360273829647,9.24274120464823,5.095749306984143,5.645455691942199,10.311084268280604,0.8264396766053256,4.870820149586218,5.666908741676293,4.3700523609697886,21.776703715975117,7.650740139791034,4.386218973386798,5.089629609335063,11.17513359269505,8.595295475220658,2.9568402938309655,4.666002459238356,3.2713244432951556,4.43976253981425,3.341925054423056,3.65250366942608,1.4010324552226139,1.7049305229105076,1.0164523920028916,0.43662373648211544,0.052998374494648066,3.984358595725021E-21,5.932110478831909E-62,1.744689289263888E-124,1.0103176833255601E-208,1.1478544394E-314,0.0,0.0,0.0,0.0,0.0,0.408883790940604,5.666678975583739,0.3434148850564611,6.154273352699575,0.9885239215943565,1.167397094305673,0.5647480470192789,1.6249232655815367,2.5354667336281467,0.47236693571100397,1.2976567729306523,0.8573984941980786,1.1903732282012212,0.18602543405735966,1.0881208787485876,0.19315603942124,0.097855539165949,0.008776620730906473,0.003463657642111752,3.732718849930129E-4,2.806216337190831E-23,4.1780339143118374E-64,1.2287989319302914E-126,7.115750052575457E-211,8.0844327E-317,0.0,0.0,0.0,0.0,0.0,1.3196601268478199,5.666694838767252,1.1233189273895914,7.369922805626247,1.5277588856841875,1.5758671335184191,1.4275497017370975,2.929401550565519,3.5364105887892774,0.8126416818907228,1.804393704321743,1.1400972917421885,1.6431706298482691,0.6257032637027828,1.394000964580284,0.43753876842065076,0.3447533241569153,0.0787579449183584,0.0330437946770992,0.003889780835763258,2.9242937837697E-22,4.353833466820932E-63,1.2805032279670027E-125,7.415160181996432E-210,8.42460216E-316,0.0,0.0,0.0,0.0,0.0,4.597663602961787,5.666883695707328,4.108679742605375,20.12224927104538,6.952559803709005,4.10123266450262,4.791102390614073,10.362324078961269,8.140829399541754,2.745713345734666,4.395828663667334,3.049242218076961,4.16637915115467,3.076374785543041,3.418546662763417,1.3263192407267286,1.5778417297086975,0.9067546387064718,0.3892913806086642,0.04722059751624574,3.549991776221827E-21,5.28540363763633E-62,1.5544867461464203E-124,9.001748665457612E-209,1.02271764E-314,0.0,0.0,0.0,0.0,0.0,1.9448795288057388,5.666714943865613,1.67117476844834,8.790318396727631,2.1415993287677586,1.9300716576109682,2.0378956381422784,4.0163760599612575,4.293599376988451,1.0957735880111137,2.2059402105459256,1.3965248786729794,2.0164954133160355,0.9882511360719766,1.6685776397821699,0.605944346152642,0.5383332017485539,0.16709208330281522,0.07081957536134671,0.008449123753573318,6.351956861864477E-22,9.457108078018744E-63,2.781424120472425E-125,1.6106718778145124E-209,1.829936164E-315,0.0,0.0,0.0,0.0,0.0,5.882195892651447,5.667013942425023,5.3546753373846805,28.69499906630912,10.56542903295289,5.54123556964107,6.219372709780046,14.443651380017647,10.37277281208582,3.805571655597921,5.738963104752453,4.177960902894852,5.536519761345595,4.4072842988710175,4.606131782520672,1.678533736421338,2.2080752816896543,1.477123916622204,0.6355075679359016,0.07729314832984979,5.81081255557725E-21,8.651425624303116E-62,2.5444653597478113E-124,1.473453389885355E-208,1.6740378225E-314,0.0,0.0,0.0,0.0,0.0,2.6986460500088727,4.697544141472241,2.3934041886048747,10.378838988661196,3.0640649315055435,2.4769170703778784,2.8069158780286854,5.407119330514877,4.966960833260056,1.4064409780187361,2.6390488231371503,1.7615193080820963,2.570488763145263,1.507690350390544,2.400930108533965,0.9166543188454234,0.8809135140171425,0.3245707415173521,0.13817467866501995,0.016580071768075768,1.2464712757094364E-21,1.855808190591195E-62,5.458105820190677E-125,3.160689333931443E-209,3.590960887E-315,0.0,0.0,0.0,0.0,0.0,9.567097904425179,1.2171442215422776,0.6150983037242018,0.8392676719703827,0.10677321456002875,0.5539515544205014,0.38675628642835547,0.35354900115651566,11.399340429691657,18.277906969934,36.839782928820625,0.7589015079555741,1.2942568420053724,8.630593796300937,0.6530196768632295,0.2716216746280056,0.9032319626686652,0.06834156007286915,0.4510538610296213,0.11154213539492597,0.06921601349753752,9.555235147792173,8.157578210178198,19.24365887559217,0.8548479440029978,0.6318120099220847,8.967111740910884,0.8557424859101537,0.3951538406347515,0.8775792387041665,0.08374846450118603,0.48680832385897727,0.19136247408188076,0.14633245543395396,10.21800806745579,11.555077066324841,24.8053133403906,0.8163688580562499,0.824503253374812,9.539980858587372,1.2008119225519427,0.6051648652807201,0.8408264120038824,0.1058361012770775,0.5508230309839957,0.37645867384235693,0.3422721734948446,11.345957646420034,17.955673172315336,36.234231737008336,0.7612396180058237,1.2695538783211973,9.13111416688725,0.9545361067310925,0.45530947521958454,0.8662507384959797,0.0905549522505599,0.5047293103645988,0.2380197378261608,0.1941424444277836,10.540959748837928,13.308070300307108,27.817497494377,0.7993761077439695,0.9368914926185432,9.653530958323898,1.2692007055766918,0.6467560779690411,0.8343957116950008,0.10970241154096153,0.5639827751493846,0.42050503086595015,0.39069285312072294,11.569487741869631,19.316611395263735,38.81032813140129,0.7515935675425012,1.3751806591360576,9.571385668387956,1.2038804330773498,0.6045534944782469,0.8410841303494627,0.10579081881987697,0.5544403929298906,0.37834573913427477,0.3415394055514863,11.379819595943552,18.037028699183075,36.38299967333224,0.7616261955241941,1.2743255376156517 +UMLCN0336,L,biphenyl,C1=CC=C(C=C1)C2=CC=CC=C2,Aromatics,,C12H10,NREL (2014),"5%–7% Blend, CFR",PubChem,,12,0,2.4156000000000004,5.835123360000002,59.471399999999996,27.78792999999999,12,12,22,12,10,0,12,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1741.3300919999986,1996.504452999999,2550.367696000001,2318.396318,1717.1256579999983,1380.1690639999986,778.8984039999998,249.24933700000003,28.278432,5393.040265301258,6653.085886446473,9071.002755399648,8931.58537283051,7008.044533092142,5702.06426411141,3778.523424373062,1590.0797881609205,353.8082104647583,157.67083200000002,169.20302799999996,263.00089600000007,330.13810399999994,285.74077600000015,242.18921600000021,197.79188800000014,118.22928399999998,41.10912,37.912929048490014,47.3911431,66.89328619999999,69.32656667879198,55.943878058792045,45.91190081879204,32.52921219879201,15.254157718792003,4.005540239396,3370.7087933224907,3179.5521062990006,5091.160651698001,6929.403346563594,6115.9808267777935,5249.9019237461935,4436.479403960393,2831.1159539871924,1045.915703522796,55.55555555555556,68.11111111111111,97.33333333333334,105.33333333333336,88.66666666666666,75.33333333333334,56.0,28.0,8.0,79.15136781818175,86.80454143478256,70.84354711111115,50.39991995652174,42.928141449999956,40.59320776470584,27.817800142857134,14.661725705882354,4.7130719999999995,245.1381938773299,289.2646037585423,251.97229876110134,194.16489940935892,175.20111332730355,167.707772473865,134.94726515618078,93.5341051859365,58.96803507745972,7.166856000000001,7.356653391304346,7.3055804444444465,7.176915304347824,7.143519400000004,7.123212235294124,7.063996000000005,6.954663764705881,6.85152,1.723314956749546,2.060484482608696,1.8581468388888887,1.5070992756259125,1.3985969514698011,1.350350024082119,1.161757578528286,0.897303395223059,0.6675900398993333,153.21403606011322,138.2413959260435,141.42112921383335,150.63920318616508,152.89952066944483,154.40888011018217,158.44569299858546,166.5362325874819,174.319283920466,2.5252525252525255,2.961352657004831,2.703703703703704,2.2898550724637685,2.2166666666666663,2.215686274509804,2.0,1.6470588235294117,1.3333333333333333,0.07335928354754459,-0.003706698114300665,-0.028534076379486323,-0.0040651138770834115,-0.0027265148964932167,-1.561111555867349E-4,-0.013056063426896636,0.004113800252697621,0.007637012929103884,660.3600490909088,25.013638223140102,-200.10910578512443,-82.04473337190083,-122.06655452892535,-52.02836750413205,-92.05018866115661,73.03982361157054,84.04582442975223,1227.9677096684875,46.51392839653378,-372.11142717226863,-152.56568514063008,-226.9879705750838,-96.74897106478993,-171.17125649924367,135.82067091787792,156.28679941235282,0.1293599999999998,0.004900000000002031,-0.039199999999997584,-0.016071999999999646,-0.023912000000000273,-0.010192000000000544,-0.018032000000001186,0.014307999999998398,0.016463999999999136,5.489587008267273,0.20793890182831246,-1.6635112146264384,-0.6820395979968412,-1.0147418409221327,-0.43251291580287776,-0.7652151587281689,0.6071815933386471,0.6986747101431043,29.819523755176345,1.1295274149687906,-9.036219319750415,-3.704849921097666,-5.512093785047746,-2.3494170231351017,-4.156660887085182,3.2982200517089044,3.7952121142951736,5.050505050505051,-0.30027548209366584,-1.8402203856749326,-0.1763085399449028,-0.3140495867768585,-0.14876033057851157,-0.9329660238751134,0.3599632690541803,0.5619834710743811,0.003334512888524754,-1.6116078757828978E-4,-7.926132327635089E-4,-8.837204080616112E-5,-6.816287241233042E-5,-4.591504576080439E-6,-4.6628797953202273E-4,2.4198825015868362E-4,0.0012728354881839808,30.01636586776858,1.087549487962613,-5.558586271809012,-1.7835811602587137,-3.051663863223134,-1.5302461030627073,-3.2875067378984504,4.296460212445326,14.007637404958706,55.81671407584034,2.022344712892773,-10.336428532563017,-3.3166453291441322,-5.674699264377095,-2.8455579724938214,-6.1132591606872735,7.989451230463407,26.047799902058802,0.005879999999999991,2.1304347826095788E-4,-0.0010888888888888218,-3.493913043478184E-4,-5.978000000000068E-4,-2.9976470588236894E-4,-6.440000000000423E-4,8.416470588234352E-4,0.002743999999999856,0.24952668219396698,0.00904082181862228,-0.0462086448507344,-0.014826947782540026,-0.02536854602305332,-0.012720968111849347,-0.02732911281172032,0.035716564314038066,0.11644578502385072,1.3554328979625612,0.04910988760733872,-0.2510060922152893,-0.08054021567603621,-0.13780234462619365,-0.06910050068044417,-0.1484521745387565,0.19401294421817084,0.6325353523825289,0.22956841138659323,-0.013055455743202863,-0.05111723293541479,-0.003832794346628322,-0.007851239669421462,-0.0043753038405444575,-0.033320215138396905,0.021174309944363548,0.09366391184573018,-0.04833113350165819,-0.23769985579938024,-0.026502233987543058,-0.020441628115129836,-0.0013769641112743756,-0.13983691025357425,0.07257079467032541,0.38171557008049384,0.03623188405797046,-0.1851851851851857,-0.05942028985507249,-0.10166666666666649,-0.050980392156862585,-0.10952380952380908,0.1431372549019614,0.46666666666666784,0.03623188405797115,-0.18518518518518504,-0.059420289855072396,-0.10166666666666656,-0.05098039215686275,-0.1095238095238095,0.14313725490196055,0.4666666666666663,0.03623188405798609,-0.18518518518517404,-0.059420289855071244,-0.10166666666666799,-0.05098039215686554,-0.10952380952381689,0.14313725490194498,0.46666666666664286,0.03623188405797217,-0.1851851851851843,-0.0594202898550723,-0.1016666666666667,-0.050980392156862946,-0.10952380952381002,0.1431372549019594,0.4666666666666645,0.03623188405797068,-0.18518518518518534,-0.05942028985507244,-0.10166666666666661,-0.050980392156862654,-0.10952380952380938,0.14313725490196103,0.4666666666666669,-0.056869565217391664,-0.22266666666666682,-0.01669565217391297,-0.03419999999999988,-0.019058823529411656,-0.1451428571428569,0.09223529411764761,0.40800000000000064,0.9371521243639301,1.0929093644486754,0.9103449366426626,0.9496670271509438,1.0201078507267336,1.2072774150078502,1.0227039487857759,0.7274690289316885,0.836956521739131,1.0694444444444455,1.0043478260869578,1.0587500000000012,1.0191176470588246,1.100000000000001,0.9058823529411769,0.641666666666667,0.8369565217391304,1.0694444444444438,1.0043478260869558,1.0587499999999994,1.019117647058823,1.0999999999999996,0.9058823529411762,0.6416666666666666,0.8369565217391305,1.0694444444444444,1.0043478260869563,1.0587499999999999,1.0191176470588237,1.1,0.9058823529411768,0.6416666666666669,0.8369565217391305,1.0694444444444444,1.0043478260869565,1.0587499999999999,1.0191176470588235,1.1,0.9058823529411765,0.6416666666666665,0.8369565217391299,1.0694444444444444,1.0043478260869565,1.05875,1.0191176470588235,1.0999999999999999,0.905882352941176,0.6416666666666664,0.9440869565217389,1.0779999999999998,0.9139565217391303,0.98175,1.0327058823529411,1.188,0.9783529411764705,0.693,49.08074459731277,24.54037229865639,37.904828330803994,49.08074459731277,4.090062049776064,24.540372298799298,1.0658141036401503E-14,5.551115123125783E-17,4.625929269271485E-18,-44.91593730028446,58.48804452146511,4.874003710122093,4.882586839437067,49.08074459731277,24.54037229865639,37.904828330803994,49.08074459731277,4.090062049776064,24.540372298799298,1.0658141036401503E-14,5.551115123125783E-17,4.625929269271485E-18,-44.91593730028446,58.48804452146511,4.874003710122093,4.882586839437067,49.08074459731277,24.54037229865639,37.904828330803994,49.08074459731277,4.090062049776064,24.540372298799298,1.0658141036401503E-14,5.551115123125783E-17,4.625929269271485E-18,-44.91593730028446,58.48804452146511,4.874003710122093,4.882586839437067,49.08074459731277,24.54037229865639,37.904828330803994,49.08074459731277,4.090062049776064,24.540372298799298,1.0658141036401503E-14,5.551115123125783E-17,4.625929269271485E-18,-44.91593730028446,58.48804452146511,4.874003710122093,4.882586839437067,49.08074459731277,24.54037229865639,37.904828330803994,49.08074459731277,4.090062049776064,24.540372298799298,1.0658141036401503E-14,5.551115123125783E-17,4.625929269271485E-18,-44.91593730028446,58.48804452146511,4.874003710122093,4.882586839437067,49.08074459731277,24.54037229865639,37.904828330803994,49.08074459731277,4.090062049776064,24.540372298799298,1.0658141036401503E-14,5.551115123125783E-17,4.625929269271485E-18,-44.91593730028446,58.48804452146511,4.874003710122093,4.882586839437067,54.968332828514434,27.273354048438367,43.171145554379216,54.940555050736634,4.578379587561386,27.273354048447633,-0.055555555555596214,0.006813327844407385,5.677773203672821E-4,-5.986649529516507,54.35369271663978,4.529474393053315,4.794615065433145,0,11.850000000000007,12.150141701565017,-0.20764979288054003,0.09258724334640672,6.636898437499998,9.400572610646472,13.0,23.0,17.0,11.0,1.0,6.0,0.0,0.0,0.0,12.0,10.932069999999998,3.879853033753178,3.5968830801645404,2.803693984491458,2.6191819138397143,2.6191819138397134,2.266033763194211,0.9414285011440507,0.9414285011440499,2.03148183354937,1.8221201700984335,1.1146288821138095,1.0822503020169485,1.0822503020169463,0.8022025048258803,0.31051397192943436,0.31051397192943375,3.8889625083298984,3.6106737035967362,2.8202598972953434,2.6458150318986875,2.6458150318986826,2.293956355031052,1.053336622690151,1.053336622690149,2.00649946263637,1.7858859200419674,1.059714863445235,1.0071675921888015,1.0071675921888008,0.7114432025668671,0.15015625861415752,0.15015625861415752,3.9305237789990497,3.6733328840681168,2.9000042482862667,2.771820215479792,2.7718202154797913,2.4328995256831116,1.5177937868953868,1.517793786895386,1.939166758946046,1.686287459656864,0.9173758077035225,0.7986202314843523,0.7986202314843522,0.4636713658849439,0.396843082714421,0.3968430827144214,3.89574617351381,3.620933503890902,2.8328178834178854,2.665925019264034,2.665925019264033,2.315402584340786,1.1348113653661847,1.1348113653661842,1.9911870774177687,1.7634699795121425,1.0264684576239889,0.9602789912487915,0.960278991248791,0.6549286508801673,0.04190290236346232,0.04190290236346218,3.9518426141633602,3.7052261526897925,2.9432860235358165,2.8380785876458874,2.838078587645887,2.509576103073094,1.7214642273785614,1.7214642273785612,1.919732866820823,1.6571168803926346,0.8786763572451513,0.7385642758080635,0.7385642758080619,0.395245533470923,0.5943111067077897,0.59431110670779,3.885167206972848,3.6471985999442134,2.8197374639023987,2.708963957285701,2.7089639572856967,2.330114245903916,1.2202762135106608,1.2202762135106606,1.9971143740949233,1.7299368263472201,1.0217300600181365,0.9021639420451075,0.9021639420451062,0.6115711787058925,0.05863805696303279,0.05863805696303355,0,0,0,10,2,0,0,0,0,0.0,0.0,0.0,0.20412414523193154,0.11785113019775793,0.0,0.0,0.0,0.06415002990995841,0.032075014954979206,0.3333333333333333,0.0,0.08333333333333333,0.0,0.16666666666666666,0.0,0.027777777777777776,0.0,0.9428090415820635,1.4999999999999996,1.8856180831641258,0.3849001794597506,0.5000000000000001,0.5132002392796674,8.225768350244728,5.966326495188786,4.796180192710584,3.966326495188786,3.2111426259404334,2.558078204724923,1.1785113019775788,0.833333333333333,0.6854806958537273,0.45894819193759895,0.2997612620444115,0.1983163247594393,0.13379760941418473,0.09135993588303296,0.05892556509887894,0.04166666666666665,6.77350269189626,4.071367205045919,2.7320508075688776,1.880911470030612,1.261205884565098,0.8293446239041952,0.32075014954979214,0.18518518518518512,0.5644585576580217,0.31318209269583996,0.17075317547305485,0.0940455735015306,0.05255024519021242,0.029619450853721255,0.016037507477489606,0.009259259259259255,14.709139018929374,21.439184268026217,20.62745098039216,20.799999999999997,15.992772455089817,162.3401377245509,0.6685972281331534,0.9745083758193736,0.9376114081996437,0.9454545454545453,0.7269442025040825,7.3790971692977685,3.353600000000002,51.87800000000003,70.38474912016915,101.4858645680008,140.76949824033832,11.730791520028191,70.38474912016915,5.551115123125783E-17,4.625929269271485E-18,-44.91593730028446,75.88583335113235,6.323819445927696,5.195076021738397,140,0.0,0.0,0.0,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.333333333333332,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.500000000000001,0.0,0.0,0.0,0.0,4.500000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.781296296296297,0.0,0.0,0.0,0.0,2.5520370370370373,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2760185185185187,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0341666666666667,0.0,0.0,0.0,0.0,1.2760185185185187,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1203703703703702,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1203703703703702,0.0,0.0,0.0,0.0,1.2760185185185187,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.333333333333336,1.9444444444444446,0.45,2.1203703703703702,0.25,1.2760185185185187,6.724015,0.3906481481481481,0.12037037037037035,1.5625925925925923,0.3906481481481481,0.12037037037037035,1.5625925925925923,6.0,0.5,0.0,0.0,0.51818,0.7,0.44118,0.44118,0.7,0.07701,0.07701,-0.0,0.0,0.71429,0.0,0.0,0.0,0.16667,0.0,18.5,1.54167,6.5,0.54167,12.0,1.0,5.5,0.45833,0.0,0.0,4.94251,0.41188,14.15801,9.2155,0.76796,2.09345,0.17445,5.96631,3.87287,0.32274,-0.05231,-0.00436,0.11969,0.00997,0.5454545454545454,37.0,0,0,0,0,0,0,0.0,0.9940302114769565,1.3485878960124222,1.7899290753099992,2.663532754804255,3.0957952550009344,3.0957952550009344,21.86866465249304,29.66893371227329,39.378439656819985,58.59772060569361,68.10749561002056,68.10749561002056,0.22290513600939796,0.3024125070953595,0.4013805409257428,0.5972807708660799,0.6942129669760336,0.6942129669760336,3.465401407160341,3.110843722624875,2.6695025433272983,1.7958988638330422,1.3636363636363629,1.3636363636363629,0.20461797040250726,0.2776025466886389,0.3684512304813977,0.5482797807310709,0.6372596471879852,0.6372596471879852,6.244890828734465,10.499583043160055,15.795677194730974,21.427621885239617,21.86326685333274,21.86326685333274,39.5132577388427,39.96721933964771,38.0803398218798,30.683757496433586,29.503407095463885,29.50340709546388,8.591715976331361,4.296875,2.25,0,12,0,2.7800000000000002,1.3242000000000003,0.0,0.0,0.0,0.0,15.69030319227685,9.4902056125271,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.21899999999999997,0.22,1.0190000000000001,1.528,6.307999999999999,16.0,20.0,24.0,28.0,20.0,20.0,16.0,12.0,8.0,189.0,2.995732273553991,3.5263605246161616,4.085976312551584,4.627420794922911,5.154013876941603,5.029620594007336,5.432902890880455,5.614495783829436,5.731873776697638,5.731873776697638,7.417599171007182,8.804398148148149,0.42857142857142855,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.07692307692307693,1.0,0.07692307692307693,0,4.0,7.0,0.75,1.0,0.8888888888888893,0.375,0.06222222222222218,0.13888888888888887,0.0783673469387755,0.0,0.0,0.0,0.0,0.07692307692307693,0.05555555555555558,0.026785714285714284,0.0062222222222222175,0.01736111111111111,0.019591836734693877,0.0,0.0,0.0,0.0,0.202439516832374,33.87359091601544,51.31509801323664,67.74718183203089,5.645598486002573,33.87359091601545,4.718447854656915E-16,3.932039878880763E-17,-42.34785790408894,66.34663728752953,5.528886440627461,5.03387169368406,0.0,153.7766046048003,4.584962500721156,4.07753744390572,4.875197323201151,5.68697535633982,6.502790045915623,7.323170717943469,8.144098463338524,8.966866554188723,9.789366553431428,10.612778714919378,90.97878117318383,3.295836866004329,0.0,4.51085950651685,0.0,5.958424693029782,0.0,7.497207223203318,0.0,9.076466063419854,9.311361486034912,154.07825032,7.003556832727273,24.594433723682137,2.049536143640178,0.0,0.0,0.0,198.0,14.0,3.9179999999999997,58.0,1.2402284849389822,2.217128213201281,3.0335582451168457,3.9418979238465957,4.66954699310573,5.620298751079754,6.721708765831835,7.913638718323114,8.907683282852187,0.0,115.65747511757966,164.0190762744179,155.29513659921398,179.61852064938995,208.4456754166854,168.29754205413792,100.22521138409515,36.90259784807098,9.050776307107926,0.0,377.44594531476594,574.8929722309232,600.5582030789552,711.3999885434506,836.4967420216403,797.5771065657657,641.9676725703064,463.672847903563,276.8841506358473,0.0,9.149530002164244,16.219647061623892,21.816638648985737,28.170103485203242,33.38078560921401,39.81059243886423,46.81146441212756,54.206239584329296,59.84594945924424,0.0,2.6568877369985016,4.207853071403658,4.65661731545477,5.612718742784129,6.629522060528709,6.7834840576010835,6.138170700768274,5.259245749500121,3.9604709398637867,0.0,169.85716301179846,312.16423352239667,453.45496556641285,602.4483733628967,712.5246502992468,882.3894051735831,1114.284299591076,1380.632057814245,1647.1878776406804,0.0,3.7747178336506626,6.085842284578887,7.05327288415257,8.82790699914909,10.756362527182599,11.582980433915456,11.231112972146384,10.51590830473612,8.907683282852187,0.0,0.5432491749520907,0.8668587178742169,0.970430139138321,1.174021963082499,1.387625177770552,1.4374685523913133,1.3274553338542245,1.1684288998467167,0.9121467681640639,0.0,227.9013412675277,141.31439690101965,14.10588084471176,171.14356124190687,-106.12069681504227,-9.530475976132127,56.75778002562083,247.4350937160619,23.636356820843886,0.57111703428448,0.3541315676816059,0.03534910671958341,0.4288829657155201,-0.265936730798192,-0.02388321694174956,90.94286850786995,56.390789734546914,5.6288798464877035,68.29396571089416,-42.3469231147918,-3.8030878567641526,0.10057231342711193,0.09954160301795813,1.239250123694454,1.740529743534574,399.0449025094345,0.0,1.0,0.0,1032.8412610678968,32.13784779769636,10.108293880362362,1131.8347448218285,33.642751742713145,10.421438594159255,1823.7405184710535,42.705275066097556,12.217650074247926,2.3750522273315617,2.3750522273315617,965.0529528769921,795.3693054197244,169.74159806745317,1.2133394465954705,5.685423984835421,4.68576538971699,4.5470940701535145,5.1223707032500725,8.907683282852187,0.7389766963176613,3.6058092550889094,2.67095968685969,5.1938633133623515,9.802893625523797,0.0027287298727657226,7.816378852010648,11.37350868438579,5.715397018459572,3.091197341060629,2.037951169181843,8.19624913169881,1.4911592654360393,2.1883903958395323,0.06895184303338828,3.1783945645454885,6.059705232445346E-8,0.42645960620237383,5.797647006061783E-16,1.5202028495916489E-52,7.688245096056186E-111,7.499439438700999E-191,1.4109326700819478E-292,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3028125154756954,1.7455782508836033,0.4367428092879698,1.9575570148953592,0.0016502651765992098,4.540480169667846,5.802649483210446,1.0816043631047525,0.7076696906528784,0.2950760357852868,1.6310493476367414,0.027574494830714457,0.18381748755457747,9.16432232331508E-4,0.026066423823002022,4.2678999425660064E-10,0.0030035898760746534,4.0833301909954175E-18,1.0706912969493568E-54,5.414893884307681E-113,5.281916516057581E-193,9.93731416069935E-295,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.977024567422446,1.8074141430608397,1.4077712931894069,2.8293438263052106,0.001870402807627968,5.209160930380207,6.498190770282085,1.86521984016979,0.9706566259410572,0.5456750352661056,2.795540965456479,0.12985902506346747,0.5929935541133031,0.0061674805064962585,0.24273268828866318,4.447480796967339E-9,0.03129972228866479,4.255144885429775E-17,1.1157428821541363E-53,5.642736917961542E-112,5.504164247635954E-192,1.0355447526397741E-293,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.403602161490109,2.5693609357392444,4.902635370025501,9.064494600484501,0.0026627070349033474,7.615830682047987,10.876244817751603,5.374324275857173,2.8661977765340705,1.894051841570018,7.732208852884518,1.3320570847550497,2.0656718787940638,0.06173148125566713,2.8344267361820643,5.399088265948353E-8,0.379967831342686,5.165599104216989E-16,1.3544733699496041E-52,6.850087964939008E-111,6.681865523406207E-191,1.2571156072567771E-292,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4398500046809735,1.887587562781758,2.0743522708255604,3.644435537177707,0.0020215203916979065,5.668189309621634,7.106775224045159,2.4513198300627783,1.2175631219644187,0.748927267803679,3.647068899148886,0.25840847313110915,0.8738800962241671,0.012336495232941664,0.5181904029548906,9.660522592873145E-9,0.06798717928731687,9.242743291814827E-17,2.4235426329974917E-53,1.2256778605717737E-111,1.1955780248771936E-191,2.2493415790867027E-293,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.354491108292788,3.098168714005415,6.272149798166411,12.829920943473011,0.002973182726384251,8.558918457693695,13.392028878358808,7.0434038919966975,4.014060797362635,2.6129854150641423,9.984917932034024,2.159157976092171,2.6427618282598853,0.09915463680451697,4.623384238372528,8.837510580892616E-8,0.621951256301607,8.455323286356552E-16,2.217072985074538E-52,1.1212582919231232E-110,1.0937227612231336E-190,2.057712697642977E-292,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9075071475013035,1.93938899357978,2.6830642671852782,4.355321918965748,0.002222043502030358,5.7966682700509935,7.7647501664665555,2.8794565702633896,1.4938994395325427,0.9798934431818398,4.596787945253393,0.4152793765675386,1.157706852819738,0.01971913347372091,0.8533157281040196,1.602730200255004E-8,0.11279421421189315,1.533418473440014E-16,4.020781414430156E-53,2.0334623764262887E-111,1.9835252066441822E-191,3.731772939645314E-293,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.5021599170737225,2.1548823864921793,3.9503599311485615E-4,0.7510490301053594,0.24890534022645808,0.549686094500745,0.5661641057572906,0.33158795760612153,8.657437339559017,14.014809722761441,22.67778206563641,0.6265735451580392,1.447438157864157,5.1617695176538305,1.1013501365048515,1.9894045643381597E-4,0.8241269288283783,0.1758413083843023,0.3464337099719065,0.14792730336816148,0.08439540687030903,6.263318594615116,5.686161550757326,11.950611105069308,0.7361903932425676,0.578756420210377,5.570979183323527,1.4229996820798645,2.5911696930669414E-4,0.7965098124147113,0.2034531403801521,0.4035314771959185,0.24693344056867214,0.14331998979000746,6.994237982372699,7.929313865349921,14.925605997913134,0.6947647186220669,0.7937849075545981,6.453016824532252,2.116258869774624,3.8789095239111226E-4,0.7530070183422518,0.24694771839291504,0.5414092816050665,0.5460559283997424,0.31981493443361514,8.569663585259267,13.659578036231624,22.234538758896626,0.6295105275133777,1.4072801444384242,5.796500898760361,1.6002597484671002,2.921500577190983E-4,0.7836230263068767,0.21633747822570867,0.43685971846314364,0.31227313671633267,0.18209527165431172,7.3970527972851805,9.278068034289598,16.677830788360748,0.6754345394603151,0.931228126833788,6.664184561371759,2.282222811913416,4.1857467594796915E-4,0.7448657881726702,0.2550874271152562,0.5774195258822681,0.6350335182876123,0.3718293944241,8.946825947961123,15.212898768331005,24.16609088301116,0.6172986822590053,1.5842824385939804,6.457836550768646,2.114828203687674,3.868769579455922E-4,0.7532716270021251,0.24668324589791357,0.54221844125636,0.5453185585221633,0.31818215123187404,8.573051631414264,13.660531438832352,22.23886673199045,0.6299074405031876,1.4057191510103972 +UMLCN0337,L,m-diisopropylbenzene,CC(C)C1=CC(=CC=C1)C(C)C,Aromatics,,C12H18,NREL (2014),CFR,PubChem,,-3,0,2.1580000000000013,4.656964000000006,57.051199999999994,33.122273999999976,6,6,30,12,18,0,12,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1749.4586039999979,1949.0970359999992,2635.202992000001,2662.4702310000007,2120.8046269999973,1593.1876879999966,979.7242599999996,314.9556480000007,36.578304,5641.710220748698,7147.46191566129,10132.427386793936,11377.390603093727,10254.71741757768,8128.441270227375,5831.8954973178625,3499.688659234779,1119.0147995134885,211.4185440000001,218.6035680000001,386.328256,491.8715160000002,549.8478200000004,483.7221439999999,358.70324800000003,332.066304,241.86470400000016,41.46983228728203,53.51059758,78.90990691818791,92.59985306788587,88.56208364122486,72.17625497092298,53.458211492735074,37.39577315637602,16.00606457456401,4850.0500095164825,4277.7381319122005,8228.907762266388,10615.664378205489,12448.82622153803,11213.298075613327,8180.863731536538,8112.964793691578,6657.035472872964,59.111111111111114,71.11111111111111,107.44444444444441,139.11111111111114,142.77777777777777,114.99999999999997,87.00000000000001,72.0,36.0,58.31528679999993,64.96990119999997,48.80005540740743,38.586525086956534,27.189802910256375,23.08967663768111,19.21027960784313,6.561576000000014,1.016064,188.05700735828992,238.248730522043,187.63754419988769,164.88971888541633,131.47073612279078,117.80349666996196,114.35089210427181,72.91018040072457,31.083744430930235,7.0472848000000035,7.2867856000000035,7.154226962962963,7.128572695652177,7.049331025641031,7.010465855072463,7.033397019607844,6.918048,6.718464000000004,1.382327742909401,1.7836865860000002,1.4612945725590354,1.342026856056317,1.135411328733652,1.0460326807380143,1.0482002253477465,0.7790786074245005,0.4446129048490003,161.6683336505494,142.59127106374,152.38718078271089,153.8502083797897,159.60033617356447,162.51156631323664,160.40909277522624,169.02009986857453,184.917652024249,1.9703703703703705,2.3703703703703707,1.989711934156378,2.016103059581321,1.8304843304843303,1.6666666666666663,1.7058823529411768,1.5,1.0,0.056619232342478044,-0.008304681812994123,0.0030159772728887693,-0.012062368849642582,-0.0259276575779535,0.009429522051355128,-0.008507668180309978,-0.005910089150144555,0.019957350075561875,871.6752648000005,-1.0302869668521453E-12,174.33505295999922,-237.289377640001,-256.65993907999984,-116.22336863999959,-464.89347455999945,-232.44673727999907,697.3402118400015,1620.9173767624015,5.826450433232822E-13,324.1834753524812,-441.2497303408762,-477.2701164911532,-216.12231690165447,-864.4892676066164,-432.24463380330906,1296.7339014099211,0.1707551999999997,2.7287200277115176E-15,0.034151040000002214,-0.046483359999997656,-0.050277919999999726,-0.022767360000000677,-0.0910694400000001,-0.045534720000002124,0.1366041599999955,7.2462548509127975,1.715294573045867E-14,1.449250970182574,-1.9725915983040254,-2.133619483879876,-0.9661673134550445,-3.864669253820159,-1.9323346269100927,5.79700388073021,39.36177135683278,-3.446132268436486E-13,7.872354271366265,-10.715148869360304,-11.589854899511867,-5.248236180910917,-20.9929447236441,-10.496472361821771,31.48941708546678,5.777777777777772,-1.7777777777777777,2.5555555555555567,-0.444444444444444,-3.0000000000000067,-0.5555555555555558,-0.9999999999999992,-2.6666666666666723,4.000000000000001,0.001887307744749268,-2.768227270998041E-4,5.5851430979421656E-5,-1.748169398498925E-4,-3.3240586638401924E-4,1.36659739874712E-4,-1.668170231433329E-4,-1.2312685729467824E-4,5.543708354322744E-4,29.055842160000015,-3.434289889507151E-14,3.228426906666652,-3.4389764875362463,-3.2905120394871776,-1.684396646956516,-9.115558324705871,-4.84264035999998,19.370561440000042,54.03057922541338,1.9421501444109406E-14,6.003397691712615,-6.394923628128641,-6.118847647322477,-3.1322074913283258,-16.95076995307091,-9.005096537568939,36.020386150275584,0.00569183999999999,9.095733425705058E-17,6.324266666667077E-4,-6.73671884057937E-4,-6.445887179487145E-4,-3.299617391304446E-4,-0.001785675294117649,-9.486400000000443E-4,0.0037945599999998753,0.24154182836375993,5.717648576819557E-16,0.026837980929306924,-0.028588284033391673,-0.027354095947177897,-0.014002424832681803,-0.07577782850627762,-0.04025697139396026,0.16102788557583916,1.3120590452277594,-1.1487107561454953E-14,0.14578433835863455,-0.15529201259942468,-0.1485878833270752,-0.07606139392624517,-0.4116263671302765,-0.21867650753795356,0.874706030151855,0.1925925925925924,-0.059259259259259255,0.04732510288065846,-0.006441223832528173,-0.03846153846153855,-0.008051529790660228,-0.019607843137254888,-0.05555555555555567,0.11111111111111113,-0.1466759874588341,0.029593176383028944,-0.09262768106380934,-0.1761270080668163,0.07240988665198715,-0.08838888284512117,-0.0652394171736077,0.293736322003979,-1.1819619168481706E-15,0.11111111111111055,-0.11835748792270574,-0.11324786324786312,-0.057971014492753395,-0.31372549019607787,-0.1666666666666659,0.6666666666666677,3.594538819042396E-16,0.11111111111111142,-0.11835748792270538,-0.11324786324786364,-0.057971014492753874,-0.31372549019607926,-0.16666666666666743,0.6666666666666666,1.598030412960497E-14,0.11111111111111852,-0.11835748792269955,-0.11324786324786285,-0.057971014492755456,-0.31372549019607937,-0.16666666666667476,0.666666666666646,2.36714635123521E-15,0.11111111111111222,-0.11835748792270448,-0.11324786324786307,-0.05797101449275391,-0.3137254901960784,-0.1666666666666678,0.6666666666666634,-8.755023337734709E-15,0.11111111111110701,-0.11835748792270827,-0.11324786324786316,-0.057971014492752285,-0.3137254901960777,-0.16666666666666183,0.6666666666666784,-0.307692307692308,0.24572649572649607,-0.033444816053511704,-0.19970414201183495,-0.04180602006688969,-0.10180995475113125,-0.2884615384615393,0.5769230769230776,1.3004118325768395,0.8653977111771556,1.1575803752005045,1.2273519113180544,1.0394542075406414,1.0880551054015468,0.9674275614937933,0.0,1.2083333333333335,0.969650205761317,1.1674718196457332,1.0844017094017098,0.9923510466988731,1.2636165577342051,1.0069444444444446,0.0,1.2083333333333341,0.9696502057613173,1.1674718196457332,1.0844017094017098,0.9923510466988731,1.2636165577342053,1.0069444444444449,0.0,1.2083333333333337,0.9696502057613171,1.1674718196457328,1.0844017094017095,0.992351046698873,1.2636165577342051,1.0069444444444446,0.0,1.2083333333333341,0.9696502057613174,1.1674718196457325,1.084401709401709,0.9923510466988732,1.2636165577342056,1.006944444444445,0.0,1.208333333333333,0.9696502057613166,1.1674718196457314,1.0844017094017082,0.992351046698872,1.263616557734204,1.0069444444444442,0.0,1.5615384615384629,0.6712962962962968,1.09113712374582,1.2655325443786993,0.9294871794871804,1.0497737556561093,1.2548076923076934,0.0,57.25928245201304,28.62964122600652,41.123548870279954,57.25928245201304,4.771606871001087,28.629641226008438,-3.552713678800501E-15,6.106226635438361E-16,5.088522196198634E-17,-42.03846297292642,4000032.029555953,333336.0024629961,18.242175511729318,57.25928245201304,28.62964122600652,41.123548870279954,57.25928245201304,4.771606871001087,28.629641226008438,-3.552713678800501E-15,6.106226635438361E-16,5.088522196198634E-17,-42.03846297292642,4000032.029555953,333336.0024629961,18.242175511729318,57.25928245201304,28.62964122600652,41.123548870279954,57.25928245201304,4.771606871001087,28.629641226008438,-3.552713678800501E-15,6.106226635438361E-16,5.088522196198634E-17,-42.03846297292642,4000032.029555953,333336.0024629961,18.242175511729318,57.25928245201304,28.62964122600652,41.123548870279954,57.25928245201304,4.771606871001087,28.629641226008438,-3.552713678800501E-15,6.106226635438361E-16,5.088522196198634E-17,-42.03846297292642,4000032.029555953,333336.0024629961,18.242175511729318,57.25928245201304,28.62964122600652,41.123548870279954,57.25928245201304,4.771606871001087,28.629641226008438,-3.552713678800501E-15,6.106226635438361E-16,5.088522196198634E-17,-42.03846297292642,4000032.029555953,333336.0024629961,18.242175511729318,57.25928245201304,28.62964122600652,41.123548870279954,57.25928245201304,4.771606871001087,28.629641226008438,-3.552713678800501E-15,6.106226635438361E-16,5.088522196198634E-17,-42.03846297292642,4000032.029555953,333336.0024629961,18.242175511729318,72.08970796869583,35.6818702480859,51.42873969279597,71.94804130202914,5.995670108502429,35.6818702480859,-0.28333333333337407,1.1102230246251565E-16,9.25185853854297E-18,-44.08416068361253,4000036.4421364856,333336.37017804047,18.242176835492145,0,11.89,12.110197633080846,-0.15163590603490854,0.07165436340479495,6.228058449416805,9.388139656889125,12.0,30.0,27.0,24.0,6.0,3.0,0.0,0.0,0.0,6.0,19.677725999999996,3.845512612229013,3.3403713617030366,3.098333688072424,2.5297219501991357,2.425252947073636,2.333552793103047,2.3335527931030464,1.2785790481155703,2.0272002098675213,1.7660797336075982,1.5910816819269786,1.2496297225843558,1.2496297225843556,1.0173996580632165,0.9310532914550457,0.4695469709351181,3.85600283892212,3.366623877865444,3.131032051559185,2.55959704866097,2.456850110428701,2.4054545878412883,2.4054545878412865,1.3723809604798163,1.9961043837308974,1.700343809281984,1.5202216469714467,1.1345406859483511,1.13454068594835,0.9409523083901505,0.8524270737806423,0.32400603825626806,3.904479906260632,3.487254786356532,3.2774642723563385,2.70423698723352,2.704236987233519,2.6965820379842675,2.6003684014456847,1.7661816156762844,1.9146969745238351,1.51222671443471,1.3069649963135745,0.7603185604308975,0.7603185604308971,0.724989298098391,0.6298627092041839,0.1600916042723146,3.86384499164799,3.386262514763504,3.1553049608462493,2.5819127533932558,2.480385089633875,2.457539916041694,2.4575399160416938,1.440777584311558,1.9772928616623617,1.6588496160447657,1.4745280429224286,1.0582626705327123,1.0582626705327123,0.8929639733370948,0.8030976924833356,0.22663712617067508,3.9297720190029413,3.5486130403532807,3.349445891943465,2.8389820851496483,2.838982085149648,2.766466851425955,2.6727949832747857,1.9429036308239986,1.891791659761302,1.4559536708181284,1.2400889938111632,0.6610232866017357,0.6313372621875606,0.6313372621875604,0.5633284784815575,0.32992045581252716,3.8688270936424582,3.355696846920654,3.1905873760102725,2.658285742648383,2.5715728656350856,2.5715728656350834,2.5344852705201815,1.472760298824584,1.979621846209903,1.668129911550754,1.4110760177399495,0.9352092292714473,0.9352092292714463,0.8034372975245458,0.7376037276069919,0.15405415549417514,0,0,0,4,2,4,0,2,0,0.0,0.0,0.0,0.08333333333333333,0.09622504486493763,0.0,0.0,0.0,0.027777777777777776,0.032075014954979206,1.0,0.0,0.3333333333333333,0.0,0.769800358919501,0.0,0.19245008972987526,0.0,2.0376280583741213,2.01174686531371,2.566134154925654,1.258903002102466,1.0046057649252644,1.1489433322226703,9.137828201504695,5.609060905280623,5.174799102662689,3.640946857734428,2.4777971462615587,1.942739907754045,1.090334534274966,0.5420350197234279,0.7614856834587246,0.4674217421067186,0.3234249439164181,0.20227482542969044,0.1304103761190294,0.08830635944336568,0.06413732554558624,0.04516958497695233,8.464101615137757,4.708118550994048,3.979522067119118,2.2440169358562922,1.2772433920425879,0.8849001794597504,0.49485984933954563,0.1924500897298753,0.7053418012614797,0.3923432125828374,0.24872012919494488,0.1246676075475718,0.0672233364232941,0.04022273542998866,0.029109402902326213,0.016037507477489606,16.876450234072866,28.99053168244719,27.52941176470589,27.83999999999999,19.186990419161685,227.4823796407186,0.5625483411357622,0.966351056081573,0.9176470588235297,0.9279999999999996,0.6395663473053895,7.582745988023953,3.9334000000000033,54.62000000000005,54.48701467380995,77.3502200961226,108.97402934761993,9.081169112301659,54.48701467380995,2.220446049250313E-16,1.850371707708594E-17,-43.25238406694059,4000028.1386575545,333335.6782214629,18.242174344468577,112,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,6.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,4.0,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.773148148148149,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4448611111111114,0.0,1.8625000000000003,0.0,0.0,1.4448611111111114,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.942222222222222,0.0,0.0,0.0,0.0,8.882037037037037,1.2846296296296293,0.0,0.0,0.0,2.8911111111111114,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4455555555555557,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3319444444444445,0.0,0.28597222222222224,0.0,0.0,0.3319444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2355555555555555,0.0,0.0,0.0,0.0,2.1574074074074074,0.6423148148148146,0.0,0.0,0.0,1.4455555555555557,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.314814814814815,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.37875000000000003,0.0,0.35930555555555554,0.0,0.0,0.37875000000000003,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2355555555555555,0.0,0.0,0.0,0.0,2.314814814814815,0.6423148148148148,0.0,0.0,0.0,1.4455555555555557,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.999999999999996,1.833333333333333,0.37875000000000003,2.314814814814815,0.09631944444444443,0.6423148148148146,7.642958888888889,0.6910185185185187,0.31481481481481477,3.648518518518518,0.6910185185185187,0.31481481481481477,3.648518518518518,6.0,0.5,0.0,0.0,0.46,0.7,0.43333,0.43333,0.7,0.02667,0.02667,-0.0,0.0,0.71429,0.0,0.0,0.33333,0.33333,0.0,12.0,1.0,6.0,0.5,6.0,0.5,0.0,0.0,0.0,0.0,10.39174,0.86598,15.99011,5.59836,0.46653,3.69639,0.30803,5.60903,1.91264,0.15939,0.30497,0.02541,0.39097,0.03258,0.2,12.0,0,0,0,0,0,0,0.5,0.9709505944546688,2.1967916319816365,2.672905595320056,2.9395722619867226,3.00623892865339,2.939572261986723,29.128517833640064,65.90374895944909,80.18716785960169,88.18716785960167,90.1871678596017,88.18716785960169,0.1978749221194442,0.44769525408772753,0.5447249216667283,0.5990702675575299,0.6126566040302305,0.59907026755753,3.93594000115385,2.710098963626882,2.2339850002884627,1.967318333621796,1.9006516669551288,1.9673183336217956,0.19248111299006795,0.435491672538272,0.5298764394840736,0.582740402996223,0.5959563938742605,0.5827404029962231,6.790894279573414,16.460824941770916,19.139099505708106,20.14066451210811,20.207852847574777,19.407852847574777,46.03075754975106,33.58909948305866,29.057858826182798,27.192805722736548,26.999013016362646,28.161769254606053,10.083333333333334,4.296875,2.7777777777777777,3,6,3,2.7800000000000002,1.5617999999999992,1.4422495703074083,4.368193380334507,6.362165830136405,0.0,3.5327755290014426,7.883079777506848,0.0,2.94168275343288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.16499999999999998,0.152,0.45100000000000007,0.642,5.436,16.0,18.0,19.0,22.0,17.0,12.0,4.0,0.0,0.0,132.0,2.772588722239781,3.2771447329921766,3.7436043538031827,4.176308500073531,4.632906940959691,4.453620287860891,4.406719247264253,3.056356895370426,0.0,0.0,6.102278913448272,3.377840909090909,0.5,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.16666666666666666,6.0,0.5,0,3.0,6.0,1.0,3.0,1.5555555555555562,0.75,0.5422222222222224,0.47222222222222227,0.0,0.0,0.0,0.0,0.0,0.25,0.09722222222222227,0.05,0.049292929292929305,0.05902777777777778,0.0,0.0,0.0,0.0,0.0,0.5055429292929293,33.888858282339434,49.3721730558873,67.77771656467887,5.648143047056571,33.88885828233944,4.996003610813204E-16,4.163336342344337E-17,-42.279267807481,4000028.890724486,333335.7408937072,18.242174570087045,0.0,184.94243940800024,4.584962500721156,4.04305126783455,4.8283137373023015,5.659482215759621,6.47543271670409,7.305860032684009,8.129469764784231,8.958925938694943,9.784760321267326,10.613713064630824,89.79900905966191,3.2188758248682006,0.0,4.48863636973214,0.0,5.953243334287785,0.0,7.500529485395295,0.0,9.089866218508309,9.321971188147367,162.140850576,5.4046950192,23.242198006496878,1.9368498338747397,0.0,0.0,0.0,197.0,15.0,4.802,56.0,1.2386767913653671,2.1559258759529243,2.97986363065198,3.688090172266208,4.47579859603025,5.673274470294356,6.645838500704851,7.339653928111577,0.0,0.0,90.65360312482508,116.24192642411714,123.56928111810126,115.15514938302407,120.54241785719397,121.95379832895391,45.89902274555516,7.45755812881276,0.0,0.0,318.8911308284975,434.5067138781178,515.3158185372325,524.9073797721741,582.688586589505,687.4231614774832,501.8353069723192,228.14392691289362,0.0,0.0,9.058536843319215,15.485719658728055,21.294243332941882,26.079381796926807,31.5284680027879,39.99666248697904,46.05871379269605,49.3112006884762,0.0,0.0,2.3384237427608725,3.328704873228983,4.143637321927964,4.424336917145078,5.0393165271113025,6.187796250294376,5.315858537994287,3.263304853564061,0.0,0.0,174.59706742397503,324.18714607912597,454.74137760749915,582.9550493408057,716.1328728957999,903.1680853210689,1116.710149209782,1357.231571056949,0.0,0.0,3.0056410111893626,4.4653732069224255,6.145014009932015,6.947711953245185,7.776308228776807,9.90962988563394,10.175397673525593,7.339653928111577,0.0,0.0,0.48190619514301924,0.6924663287478366,0.8693157885081497,0.9366215809763222,1.0717013986536759,1.3231722109087698,1.1662012046523107,0.7515805622386252,0.0,0.0,350.78931940197884,210.26216510104487,11.334093019058395,83.46472097317545,-50.028527012431816,-4.8083481732326465,267.32459842880337,260.29069211347667,16.14244119229104,0.8077974797860951,0.4841916149344248,0.026100144075267125,0.19220252021390483,-0.11520566848200632,-0.011072661912549367,152.33167927075985,91.3071947331565,4.921875687513939,36.24489231138632,-21.72508998916606,-2.088044621756769,0.1039659038453772,0.1021483933369331,1.8721501369652644,1.4584428655114108,434.2540403751543,0.0,1.0,0.0,853.2225630441125,29.209973691260192,9.484638379526153,1028.438461690712,32.06927597702686,10.093910199067384,1597.4909516636326,39.96862459059146,11.689954002759318,1.6854810321166904,1.6854810321166904,1046.7802719164622,1000.178583362735,252.06118606749783,1.0465933677534327,4.152881640555923,3.9679991948260676,4.9859377371317954,4.475177780625598,8.682558320223729,0.9401594184287284,5.346962927429187,6.666030738987795,4.921214252162194,17.228876745510924,8.39905004325719,9.635402907276735,12.758033413608974,8.320096580270112,9.249026428713632,10.996127753976731,13.515775745070837,6.437165370295269,8.927883689593035,8.880776314075993,1.8888753839725043,2.4257805700418302,4.255292508079229E-5,9.54946441348517E-30,4.1837549090052385E-76,3.5354035541293765E-144,5.762191344894974E-234,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4488431548796431,6.665779595370251,0.3107323548949193,9.579352547303834,2.1258973946295856,3.067054481789636,0.9529983818138753,1.735079827883602,3.3513011446187067,0.5941200805192581,2.687837690168086,1.6369055207951066,0.7953263815252175,0.3830374670558958,0.04204327440137782,0.017084970899444794,2.9970373069607616E-7,6.725765867885749E-32,2.9466527910037305E-78,2.490013630501316E-146,4.058358478931409E-236,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4486538246650564,6.665796989832449,1.0698300380266896,10.889347533684802,2.7704433172422473,4.348577168945589,2.5188473443862303,2.888425441838885,4.492571030181635,2.134295852353103,4.3568566746244155,2.089952267406806,1.4634123611834786,1.475197972081179,0.21247079537567082,0.1780385693540173,3.1231439466440696E-6,7.00876659361107E-31,3.070639396350244E-77,2.594786184042394E-145,4.229122436129958E-235,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.047103544757804,6.666003382317564,4.574578295714153,16.671628633149837,7.790038238623385,9.212344218785878,11.736825473911068,7.849469023653901,8.865832622981388,10.153044334509637,12.66144062088275,5.956936536224898,8.079098015270441,8.133287750900852,1.702742996682274,2.1613268152637715,3.791389014359231E-5,8.508400868227219E-30,3.727650301514508E-76,3.1499809169412633E-144,5.134008748444864E-234,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.134992505623126,6.665818987082996,1.644966356742673,11.863274572390514,3.4017271237764866,5.245885148143294,3.8442983317384685,3.7368125363221734,5.2945987946046085,3.3647114361361954,5.6632775903073655,2.557369103963517,2.2165606581842994,2.415676497172168,0.3907930011261151,0.3867235633305465,6.783885987304289E-6,1.5223977599167391E-30,6.669839088060104E-77,5.6362223242674205E-145,9.186219054643482E-235,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.457207253300405,6.666145632901407,6.277756142491854,19.393111414958824,10.909387598162692,11.225584944860987,16.87804489603699,10.139256989111452,10.692958114973738,14.351901586890168,16.896378664143494,8.426834788988295,12.468994152787515,11.906430175047461,2.6610060691702317,3.5377729827326054,6.205944203950637E-5,1.3926996373382503E-29,6.101613338917301E-76,5.156053820910959E-144,8.403614536723564E-234,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0710770649701247,5.286157351129169,2.1535428619009576,12.87843437888508,4.748899162057793,7.0338198482718095,5.817684817327155,4.77010513873993,6.087249984095292,4.6569392673575,7.1928625882346395,3.4935684910504636,3.439112270821606,3.8824879574438826,0.6732005354122107,0.7217198390207098,1.2660374404202668E-5,2.8411629659955883E-30,1.2447535266461869E-76,1.0518556028814676E-144,1.714370978646439E-234,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.614686702532759,1.4556111922284425,1.1987599124878805,0.7415175613440833,0.14174729751749032,0.6440478403147407,0.33830099202226843,0.4290903852495959,10.269057807249082,21.957132700082724,45.513273176014174,0.6122763420161249,1.411439217586605,5.534681967872476,0.9292710629438327,0.6334980452592804,0.7798126268920732,0.13093025270385616,0.3402365858719431,0.1378837956477792,0.1197673859983647,7.097451076075589,9.238121405010853,19.59379216777375,0.6697189403381097,0.597887767518087,6.2894085913282405,1.120255400825442,0.8386082716292597,0.7625122437997337,0.13581697657391031,0.4393620668934525,0.20038071397726745,0.20992984422406108,8.248272263782942,13.259549456246956,27.416440869936295,0.6437683656996005,0.849672625094781,7.555342863550114,1.4405946436318617,1.1826332313644194,0.7422793491956508,0.14153211493400628,0.6340477277137312,0.3313572340344302,0.4176187010667728,10.178570738546396,21.523081103303504,44.57365244585101,0.6134190237934762,1.3830236628149342,6.654231128899003,1.212572914160993,0.937752550226104,0.7557712939199206,0.137721065372632,0.4918152264864813,0.23476574418133156,0.2625270633384292,8.8045565932861,15.445855984978396,31.816894494987828,0.6336569408798809,0.9891080340062419,7.803494028799349,1.503387505706654,1.2500681072583613,0.7391807570936907,0.14240737682020385,0.6763845397934652,0.36087204073942347,0.4666225324764797,10.556949641764364,23.365911208071132,48.58825414177637,0.608771135640536,1.5038791130093683,7.55678038611768,1.4426371467535613,1.184773861218588,0.7420108375519229,0.14165455959427117,0.6342904053498838,0.33229759383445706,0.41913995302234147,10.18419139408983,21.563966754010202,44.66419798515779,0.6130162563278844,1.3857279522066823 +UMLCN0338,L,n-octylbenzene,CCCCCCCCC1=CC=CC=C1,Aromatics,,C14H22,NREL (2014),Unknown,PubChem,,37.5,0,-0.4065000000000003,0.16524225000000026,57.96939999999999,39.30944599999997,6,6,36,14,22,0,14,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2042.0511019999974,2286.05363,2670.513063,2430.5845329999984,1961.4709059999957,1742.532128999996,1545.7753999999966,1349.018670999997,1152.2619419999976,6613.079001971078,8453.442184642026,11367.792241740523,11496.241537325242,9881.480982965692,8707.376894131368,7700.57854917623,6693.780204221108,5686.981859265986,253.37343200000018,262.15512799999993,472.1152920000003,632.5126600000009,588.5382160000004,524.8549799999998,461.9700799999998,399.08517999999987,336.20028,48.826083906678036,63.542574820000006,91.9349457584899,99.25494409486578,87.54761116486583,77.1882194951679,68.16669063577203,59.145161776376085,50.12363291698008,5843.309329793479,5143.817034943801,10029.116317821396,14519.796349649172,13680.04563824047,12264.680691824571,10785.725536785974,9306.770381747378,7827.815226708783,64.52777777777777,78.66666666666667,122.58333333333334,144.0,128.75,114.33333333333333,102.08333333333333,89.83333333333333,77.66666666666666,56.72364172222215,63.50148972222222,40.46231913636363,27.006494811111093,23.35084411904757,23.233761719999947,23.420839393939342,23.666994228070124,24.00545712499995,183.69663894364103,234.8178384622785,172.23927639000792,127.73601708139158,117.63667836863918,116.09835858841825,116.67543256327622,117.43474042493172,118.47878873470803,7.038150888888894,7.282086888888887,7.153262000000004,7.027918444444454,7.006407333333338,6.998066399999998,6.999546666666664,7.00149438596491,7.0041725,1.3562801085188343,1.765071522777778,1.3929537236134835,1.1028327121651753,1.0422334662484027,1.029176259935572,1.032828645996546,1.037634417129405,1.044242352437085,162.31414804981887,142.88380652621672,151.95630784577872,161.33107055165746,162.85768616952942,163.52907589099428,163.4200838906966,163.2766733639891,163.0794838897663,1.792438271604938,2.185185185185185,1.8573232323232325,1.6,1.5327380952380953,1.5244444444444445,1.5467171717171717,1.5760233918128654,1.6180555555555554,0.07343180012353918,-0.0010620820988667063,-0.03009741542722748,-0.011845642126718441,-0.004272802267810028,0.006768260223125372,7.867413740334597E-4,-1.0959520043886482E-5,0.0019347367530752947,1035.7869658888899,-1.3358203432289883E-12,-318.3587644074082,-26.903557555555093,-76.22674640740684,14.572760342592982,11.209815648148446,7.8468709537039665,4.483926259259427,1926.0900927577943,-1.4210854715202004E-14,-592.0017168216586,-50.02831409760393,-141.74688994321355,27.09867013620326,20.845130874002486,14.591591611801825,8.33805234960105,0.20290355555555553,2.1805474093028465E-15,-0.06236429629629416,-0.005270222222222316,-0.014932296296296776,0.0028547037037030725,0.0021959259259253976,0.0015371481481477158,8.783703703700409E-4,8.61051888148589,2.0095036745715333E-14,-2.646523119417717,-0.2236498410775496,-0.6336745497197404,0.1211436639170076,0.09318743378231353,0.06523120364761914,0.03727497351292508,46.772475223396974,-4.3920422854171193E-13,-14.375955588143995,-1.2148694863219314,-3.4421302112455177,0.6580543050912384,0.5061956193009616,0.3543369335106812,0.20247824772040524,5.323302469135806,0.6535493827160486,0.07780349794238668,0.26350308641975256,-0.7019032921810726,-0.21058384773662575,-0.33114711934156355,-0.4517103909465015,-0.4889403292181061,0.0020397722256538663,-2.9502280524075174E-5,-4.5602144586708303E-4,-1.3161824585242713E-4,-5.086669366440509E-5,9.024346964167163E-5,1.1920323848991814E-5,-1.9227228147169267E-7,4.030701568906864E-5,28.771860163580275,-3.710612064524968E-14,-4.8236176425364885,-0.2989284172839455,-0.9074612667548433,0.1943034712345731,0.16984569163861282,0.13766440269656083,0.09341513040123806,53.502502576605394,-3.9474596431116675E-16,-8.969722982146344,-0.5558701566400437,-1.687462975514447,0.3613156018160435,0.31583531627276495,0.25599283529476885,0.17370942395002187,0.005636209876543209,6.057076136952351E-17,-9.449135802468813E-4,-5.855802469135906E-5,-1.7776543209877115E-4,3.80627160493743E-5,3.32716049382636E-5,2.6967511371012556E-5,1.8299382716042518E-5,0.2391810800412747,5.5819546515875925E-16,-0.040098835142692676,-0.0024849982341949954,-0.007543744639520718,0.001615248852226768,0.0014119308148835383,0.001144407081537178,7.765619481859392E-4,1.2992354228721381,-1.2200117459491998E-14,-0.21781750891127266,-0.013498549848021459,-0.040977740610065684,0.008774057401216511,0.007669630595469115,0.0062164374300119505,0.004218296827508443,0.14786951303155016,0.018154149519890236,0.0011788408779149497,0.002927812071330584,-0.008355991573584198,-0.002807784636488343,-0.005017380596084296,-0.007924743700815817,-0.010186256858710543,-0.01446351712854506,-0.22356488637887081,-0.06452595255346993,-0.02493743812405296,0.04424193471540349,0.005843948505167362,-9.426164306657237E-5,0.0197605473700123,-1.2896670717251365E-15,-0.1676505312868952,-0.0103896103896102,-0.03153988868274556,0.006753246753246927,0.00590318772136969,0.004784688995215467,0.003246753246753365,-7.378084113840577E-18,-0.16765053128689464,-0.010389610389610159,-0.03153988868274566,0.006753246753246885,0.005903187721369649,0.004784688995215427,0.003246753246753328,1.0746718574410623E-14,-0.1676505312868892,-0.010389610389610575,-0.03153988868274685,0.0067532467532452605,0.00590318772136812,0.0047846889952139655,0.003246753246752029,2.3337776761541227E-15,-0.1676505312868934,-0.010389610389610112,-0.031539888682745806,0.00675324675324666,0.005903187721369458,0.004784688995215221,0.0032467532467531732,-9.390228471851518E-15,-0.16765053128689886,-0.010389610389609808,-0.031539888682744474,0.006753246753248348,0.005903187721371039,0.004784688995216635,0.003246753246754402,0.12277141614726748,0.00797216987969269,0.019799971010291295,-0.0565092249394324,-0.01898825916799537,-0.03393113626480777,-0.053592816655350414,-0.0688867951877082,1.2045844821253866,1.2293392084660244,0.9568600289627242,0.9163073421048755,0.8328868268503408,0.8818106118647879,0.9214503162237563,0.9538856991333546,1.2499999999999996,1.2706611570247932,0.9772727272727271,0.9740259740259739,0.927272727272727,0.9297520661157023,0.9330143540669854,0.9374999999999997,1.2499999999999993,1.2706611570247923,0.9772727272727264,0.9740259740259732,0.9272727272727266,0.9297520661157017,0.933014354066985,0.9374999999999993,1.2499999999999982,1.2706611570247914,0.9772727272727257,0.9740259740259726,0.9272727272727259,0.9297520661157012,0.9330143540669843,0.9374999999999987,1.2500000000000002,1.2706611570247925,0.9772727272727265,0.9740259740259735,0.9272727272727271,0.9297520661157026,0.9330143540669859,0.9375000000000002,1.25,1.2706611570247923,0.9772727272727264,0.9740259740259732,0.9272727272727267,0.929752066115702,0.9330143540669854,0.9375,1.095810987099579,0.972670611023995,0.8553413538193936,0.8849108566458903,0.8510798666473397,0.9173266217765413,1.0044934048412808,1.11293303377301,108.59778880566877,54.298894402834385,87.85978701365325,108.59778880566877,7.7569849146906265,54.298894402834385,0.0,0.29085800671102024,0.02077557190793002,-1.7288881124807347,83.88384584833138,5.991703274880813,6.20120627614674,108.59778880566877,54.298894402834385,87.85978701365325,108.59778880566877,7.7569849146906265,54.298894402834385,0.0,0.29085800671102024,0.02077557190793002,-1.7288881124807347,83.88384584833138,5.991703274880813,6.20120627614674,108.59778880566877,54.298894402834385,87.85978701365325,108.59778880566877,7.7569849146906265,54.298894402834385,0.0,0.29085800671102024,0.02077557190793002,-1.7288881124807347,83.88384584833138,5.991703274880813,6.20120627614674,108.59778880566877,54.298894402834385,87.85978701365325,108.59778880566877,7.7569849146906265,54.298894402834385,0.0,0.29085800671102024,0.02077557190793002,-1.7288881124807347,83.88384584833138,5.991703274880813,6.20120627614674,108.59778880566877,54.298894402834385,87.85978701365325,108.59778880566877,7.7569849146906265,54.298894402834385,0.0,0.29085800671102024,0.02077557190793002,-1.7288881124807347,83.88384584833138,5.991703274880813,6.20120627614674,108.59778880566877,54.298894402834385,87.85978701365325,108.59778880566877,7.7569849146906265,54.298894402834385,0.0,0.29085800671102024,0.02077557190793002,-1.7288881124807347,83.88384584833138,5.991703274880813,6.20120627614674,131.9599460968302,65.47586029194093,108.20192932676272,131.80575108549232,9.414696506106596,65.47586029194093,-0.2698412698413222,0.37494670747192327,0.026781907676565946,-1.3733599271265973,82.36949264378548,5.88353518884182,6.175701186838466,0,11.850000000000003,12.150172447925994,-0.2100441685024312,0.09015226762623277,5.132003163999876,8.748561239187923,14.0,36.0,33.0,30.0,8.0,3.0,0.0,0.0,0.0,6.0,24.050553999999995,3.7852802746787026,3.4759444882180968,3.232460861961342,2.9157547777203825,2.6191819138397117,2.5894854954363558,2.235906752324788,1.852338569415403,1.9957163452038336,1.8896473398437783,1.7133588866807938,1.473637279685261,1.211516470987159,1.0822503020169474,0.9815571999610059,0.8163040545509852,3.797658739038217,3.50466023362565,3.26505426189783,2.9515795641274987,2.645815031898686,2.6287508068546193,2.2903904043879173,1.9277263212482092,1.959857441827054,1.8314013372240086,1.6443480212276345,1.3917804274671617,1.117790117999296,1.0071675921888013,0.8789331597063608,0.6977103287984374,3.8543470917426985,3.629848063226155,3.4088977938360925,3.114856158038998,2.8070531375777077,2.77182021547979,2.5226626393618794,2.2447090866520116,1.8661939721206284,1.6545979556535053,1.4375920475997674,1.1481815696352473,0.8437585113454255,0.7986202314843522,0.5673409653795097,0.30435447072029176,3.8068861083168506,3.5257615449068727,3.289115686932223,2.9783447922458315,2.6659250192640336,2.6579683742831564,2.3302106922801786,1.9826563618551842,1.9382581456595698,1.7937168252296882,1.6000034228666582,1.3392413902975804,1.0579387216157812,0.9602789912487907,0.8129668382670466,0.6184660609736368,3.8836191202640755,3.690062575397156,3.4788201077051077,3.1963566094858757,2.8971610130513294,2.8380785876458874,2.6307008481094125,2.3878417497352453,1.8395886472674823,1.5983108080637995,1.3724393725843755,1.0728122454151203,0.7609804346209323,0.7385642758080669,0.46512678017162096,0.1671237547692765,3.912609027206066,3.474974299605537,3.2781010715432766,3.0023106462167357,2.828057599260013,2.7081801965741503,2.379759824553204,2.033205907887025,1.8951188574664282,1.7824652944412485,1.5748515224592736,1.29385829012424,0.9907510664195212,0.7941906412157762,0.722589380238584,0.5155527480340035,0,0,0,5,1,1,7,0,0,0.0,0.0,0.0,0.10206207261596577,0.07216878364870323,0.0,0.0,0.0,0.032075014954979206,0.022680460581325723,0.20412414523193154,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.4330127018922194,0.6123724356957946,0.6495190528383291,0.21941609682128765,0.2730017401615745,0.25598544629150227,10.0626316434282,6.931851652578136,5.060477932315069,3.6906706976806576,2.689157588755426,1.9577077845361233,1.007244967784054,0.6497297470361302,0.7187594031020142,0.4951322608984383,0.3373651954876713,0.2306669186050411,0.15818574051502507,0.10876154358534018,0.07748038213723493,0.05414414558634418,9.336498814253964,5.971343774302779,4.003365512619858,2.6618298825622118,1.7541314689641991,1.1445962951667712,0.6302416120598018,0.38314811767342705,0.6668927724467117,0.4265245553073414,0.2668910341746572,0.16636436766013823,0.10318420405671759,0.06358868306482063,0.04848012400460014,0.03192900980611892,19.960105841644598,34.766205389657685,32.98039215686275,33.359999999999985,22.784099401197626,273.5388898203593,0.5544473844901278,0.9657279274904913,0.9161220043572986,0.9266666666666663,0.6328916500332674,7.598302495009981,4.589600000000004,63.522000000000055,78.75992345057676,119.94543392898049,157.51984690115353,11.251417635796681,78.75992345057676,0.17395892171555338,0.01242563726539667,-2.4485105256274506,115.69399549932744,8.263856821380532,6.651328229979045,239,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,8.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,7.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.296090008342894,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9663142111566083,0.0,2.018627721635027,0.0,0.0,1.9663142111566083,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.267826252414546,0.0,9.602750405909225,0.0,0.0,10.807208966728716,0.0,0.0,0.0,0.0,1.4888810416141767,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4888810416141767,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3750580672083649,0.0,0.21395476226915622,0.0,0.0,0.3750580672083649,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.267826252414546,0.0,1.2569097222222223,0.0,0.0,2.0880438747660066,0.0,0.0,0.0,0.0,1.4888810416141767,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2282171989166035,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4146586181725522,0.0,0.35930555555555554,0.0,0.0,0.4146586181725522,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.267826252414546,0.0,1.4219143675988914,0.0,0.0,2.2282171989166035,0.0,0.0,0.0,0.0,1.4888810416141767,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.166666666666664,1.726190476190476,0.4146586181725522,2.267826252414546,0.11505806720836484,1.2569097222222223,9.137358326066051,0.24309027777777778,0.26782625241454605,2.1500704382865274,0.24309027777777778,0.26782625241454605,2.1500704382865274,7.0,0.5,0.0,0.0,0.45556,0.7,0.43333,0.43333,0.7,0.02222,0.02222,-0.0,0.0,0.71429,0.0,0.0,0.07143,0.07143,0.0,13.0,0.92857,7.0,0.5,6.0,0.42857,-1.0,-0.07143,0.0,0.0,12.05901,0.86136,17.19076,5.13174,0.36655,4.94966,0.35355,6.93185,1.98218,0.14158,-0.01785,-0.00127,0.06815,0.00487,0.16666666666666666,14.0,0,0,0,0,0,0,0.5714285714285714,0.9640787648082292,2.163927105485192,3.054953737902934,3.850209029099897,4.1597992243145265,4.103081335982125,34.70683553309625,77.90137579746691,109.97833456450563,138.6075250475963,149.75277207532295,147.7109280953565,0.18647828828063642,0.41856063770393126,0.5909087147397031,0.744732085673537,0.8046150037290716,0.7936442665681692,4.205846236634083,3.0059978959571203,2.114971263539378,1.319715972342415,1.0101257771277856,1.066843665460187,0.18240404890429696,0.4094157863260982,0.577998345518641,0.7284609325207996,0.7870355087583055,0.7763044638947775,6.796248324843849,16.000324422376366,20.673686003247884,24.148365727239334,24.229882489390157,24.172720781766575,54.06281140650123,40.62893258678688,30.595989181535256,22.736509036151205,22.046364524210187,22.338778724450997,12.071428571428571,8.32,6.1875,8,6,8,3.0,1.8436000000000003,0.0,2.2811590108786466,0.12499999999999997,0.0,19.4207203723346,4.794171849785346,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.13299999999999998,0.124,0.553,0.664,6.912999999999999,15.0,16.0,17.0,18.0,13.0,12.0,11.0,10.0,8.0,148.0,2.8903717578961645,3.1986731175506815,3.548179572010801,3.924445525426703,4.316654432787733,3.7741966885207425,3.7509735839097313,3.727198318416073,3.702843994464309,3.6260062122954264,6.024959766241777,2.7880067567567566,0.45454545454545453,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.5,8.0,0.5714285714285714,1,6.0,11.0,0.8333333333333334,1.0,0.44444444444444464,0.1875,0.1511111111111111,0.09027777777777776,0.06040816326530612,0.043402777777777776,0.032753842277651796,0.025625000000000002,0.020610141822263034,0.07142857142857142,0.02962962962962964,0.014423076923076924,0.015111111111111112,0.010030864197530862,0.007551020408163265,0.006200396825396825,0.005458973712941966,0.005125,0.006870047274087678,0.1818286915105097,59.10739414886919,93.88824729039634,118.21478829773838,8.443913449838455,59.10739414886919,0.17600717465218824,0.012571941046584875,-2.4321227275878496,99.51819463283879,7.108442473774199,6.440476683310776,0.0,219.53440865973357,4.807354922057604,4.07753744390572,4.795790545596741,5.53338948872752,6.270988431858299,7.020190708311925,7.766840537085513,8.522578663692576,9.274722630905451,10.03482278536615,91.29686123544988,3.367295829986474,0.0,4.48863636973214,0.0,5.796057750765372,0.0,7.192182058713246,0.0,8.635687085464026,8.911260254572033,190.172150704,5.282559741777778,27.708258099980487,1.9791612928557492,0.0,0.0,0.0,399.0,13.0,6.352000000000002,58.0,1.2408973261378058,2.163943400201423,2.9182154833564105,3.698338206572445,4.860656724955859,5.849441602483068,7.058832646832441,8.15308094655614,9.315167360497187,10.398780185352878,89.34841511602093,95.89667012937753,89.88734806961631,105.12018856346288,130.95584438415972,158.99274390834495,187.8292496552932,217.7681270377667,249.15339222961936,242.20264780602665,316.0335673253878,395.1995619879086,402.7112199161526,494.279058002128,616.0677003301789,750.1629894805455,890.6575254290351,1032.7627273969313,1180.1946802215402,1279.7524641405537,9.070079348099343,15.524837745721745,20.570059187122574,26.068999057004948,34.13359218345044,41.11641470641973,49.57185955261348,57.272367261759626,65.43304869644658,73.22091615756153,2.324009717200728,3.1474394167416198,3.395962757916758,4.2331384671642605,5.319176510355402,6.469335878774699,7.708380749485878,8.933107979001894,10.205456246018809,11.360090842451687,175.20245545758354,325.62599795497067,466.50671058858876,590.6821358241003,786.3284312451431,943.1882072767177,1141.6509454196603,1317.3794436284163,1505.3781435163594,1663.9672848609036,2.791125639479118,4.122156966353476,4.798597944610206,5.951850998281226,7.628447183183841,9.373518836867529,11.429546281471218,13.564397263988473,16.04154325605977,18.965863462215697,0.479188495952516,0.6589318334178501,0.7194380040788576,0.8988451360123029,1.131738230312994,1.3759147980163835,1.6406349325044696,1.9010210998542754,2.171714704453295,2.4251529475085696,423.8584448345788,321.85845862895735,15.394023878376313,85.88626713554717,-65.21805073019259,-5.082315536454173,337.9721776990316,387.07650935914995,20.476339414830484,0.8315112150872482,0.6314110790575894,0.030199477340097435,0.16848878491275182,-0.12794257438812776,-0.00997031536984738,216.0596008783079,164.06564728896655,7.847022267944175,43.780070503198786,-33.24455648471508,-2.5906834692711285,0.0816862934605341,0.0859629486510333,1.9895820076639765,0.8245427372166242,509.74471197012593,0.0,1.0,0.0,975.21050042943,31.22836051459362,9.91667597379658,1189.3868556967857,34.48748839357232,10.595164685883129,1675.4965579164586,40.93282983030197,11.877212134762283,3.0807451424329844,3.0807451424329844,3231.333106682552,3186.65611219544,178.97892668997974,1.0140200237848482,18.054265753195292,17.804644217781238,6.365017140540077,7.4494304233199395,13.843703808523962,0.858357353763206,6.544223470202585,8.512460664806186,5.259049880350396,36.69533700831611,13.57528908583905,4.386265895088864,7.472568833267916,11.590042303707987,21.751369355846773,3.123653154366214,4.520017959717358,17.131483537051075,6.433088441920456,14.620796127111284,4.603121406662026,3.6021962969829056,6.4071290552100475,9.293299218708931,4.279830235447504,5.370750037686374,4.172484178478673,6.124640175948682,1.8664263197924067,1.8606655236912468,0.4508935532464288,0.5197573374790745,0.16726374543118216,3.384922914959585E-19,1.34127520629569E-58,1.0398227722388655E-119,0.5493209358265329,8.512104582653611,0.4097656813801806,9.194451150376198,1.0307229539970537,1.1674436320303132,0.9324252483906669,1.6278465680162475,5.772766052406408,0.47354189433210775,1.2961553555593148,1.7751550804850293,1.2095462104986283,3.188550582355252,1.2121227704262152,0.4036882375698387,1.3726423782690682,1.2577848361756956,0.689525774344375,0.5075128905555235,0.451354125047388,0.9433233576839325,0.4740695048026578,0.10480047325001449,0.028514039214999103,0.0036658158425110186,0.001178052235439668,2.3840288859247934E-21,9.446710947690341E-61,7.323556806283877E-122,1.7730083498794862,8.512129122762643,1.3429478977082132,11.213537667898224,1.9637997888140042,1.5759136969011573,2.206539363345349,2.959856241589242,8.024848032080088,0.8248850127482878,1.7904844296173372,4.226843937897516,1.8026592542452322,5.039266508526517,1.6687791557737668,0.9787172014325105,2.1620248507943565,2.319790918286084,1.052587484765111,1.2485923449300735,1.1034697183896607,1.648749625949537,0.7480915313883016,0.3717178983970335,0.0981921805893529,0.03816040838685683,0.012276212576329075,2.484341908726899E-20,9.844201152735808E-60,7.631710841345533E-121,6.177219832764494,8.512421834012724,4.942135720026637,33.74016201004295,12.231551217149056,4.101279544047318,7.050652627407936,10.732001004667104,20.416046021218566,2.894340657712685,4.264733146012599,15.949805037492153,5.945931582938489,13.750106224192526,4.312208175152583,3.378843504285185,6.01463162301911,8.59681792779536,3.9292128036878964,4.984014532884141,3.906668292241649,5.682850179422686,1.777583168395234,1.7208058615152657,0.4191850007383939,0.4630979573080463,0.14902898583923993,3.0159053766255564E-19,1.1950520611043285E-58,9.264633695713951E-120,2.6130313972894053,8.51216026368372,2.000371782340511,13.666838110559048,3.0875770773790117,1.930118254260811,3.099251913820778,4.082525094777821,9.87057066355003,1.1223675368773987,2.1784406721980734,6.112608281870671,2.3502928627202375,6.453092870070196,2.0521898344365916,1.3965732363237242,2.7746565631228854,3.2205084210235917,1.4116180462425443,1.8320286505949435,1.5830296845974445,2.2375754294835057,0.9392239961819734,0.5821142310779425,0.15093466985720214,0.08287690117527037,0.026665574144674086,5.3963225999861075E-20,2.1382920351144483E-59,1.6577095747185704E-120,7.903072749520547,8.512623775971768,6.455199346394639,49.08081537157421,19.20428750319857,5.541282668609201,9.059184084295246,15.048753264216344,27.10095889355474,4.048852267884583,5.530989090658793,21.78099749703414,8.426853155016024,18.038517701036888,5.774844316233863,4.460443507006546,7.956075079914519,12.104310357872993,5.726546833229507,6.90372354039007,5.199839362855672,7.901856236189057,2.1994646656997445,2.4152530422005847,0.5749391737991564,0.7580005211994422,0.2439384530014999,4.936591951088972E-19,1.956123833228728E-58,1.5164837891307472E-119,3.7373662286572635,7.187918849932004,2.997026360669977,17.39104831511189,5.276288611774142,2.6571492057442425,4.25672001163146,5.9397356599850255,11.723678995079263,1.5647428415174385,2.776622789048573,8.659494328827522,3.266676920968698,8.203937381707648,2.754014452056312,2.1016940601947334,4.007953283245635,4.715526821422678,2.222445879062092,2.9081588359823933,2.5589333418031006,3.552514869300154,1.4500385517780738,1.023836199498484,0.26192839729080103,0.17445317030294874,0.05613379252139936,1.1359817402118827E-19,4.501325971758568E-59,3.4896501692829665E-120,17.25315233435849,1.1145694563455235,0.766062364876905,0.9017114541519541,0.05825138651521932,0.5667995418993086,0.39216212371417586,0.4114359942349604,19.13378415558092,33.30065700994022,67.16569528095987,0.8525671812279311,1.3703976598484449,16.953784923912913,0.5879634924394967,0.35304429312161123,0.9474144349790142,0.032856680822472555,0.5471590184681661,0.11279448574936969,0.08782210228555842,17.89479270947402,16.161220763700204,37.5752319238191,0.9211216524685213,0.7477756065030942,17.06364272954468,0.7818975810747968,0.5053904844247568,0.9298516200689289,0.042608061128210035,0.5543038901783298,0.1966778709756405,0.17955517253650483,18.350930795044235,22.36098723696103,47.45484847554115,0.8947774301033934,0.9305369336904752,17.244757242570437,1.0998861407890075,0.7545685465593287,0.9029041253559081,0.057588037916163654,0.5662413554731263,0.3821866227783762,0.39922182794171124,19.099211929918773,32.80956038730482,66.2208772902834,0.8543561880338622,1.3476498061932136,17.116238235553272,0.8744742166401579,0.5779959682353119,0.921778609907111,0.04709397104206167,0.557750042214528,0.2446031335915944,0.2346466394584424,18.56870842042874,25.36626828591039,52.58625217527253,0.8826679148606666,1.0369998152645648,17.27980615078519,1.161153875894255,0.8025224448575913,0.8979562912452925,0.060340111391569244,0.5685746295409851,0.4246203378759582,0.4513936792856275,19.243482471537035,34.863798212817514,70.20950342357658,0.8469344368679388,1.4445886467025708,17.3127158702796,1.1032734723756272,0.7558690014909267,0.9030275291787656,0.057546506581220166,0.5707054560053341,0.3841407609943262,0.4003668213692644,19.171858344146152,33.02073563035636,66.6301908932687,0.8545412937681482,1.3552130383689247 +UMLCN0339,L,"1,3,5-triisopropylbenzene",CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C,Aromatics,,C15H24,NREL (2014),"Blend, IQT",PubChem,,2.8,0,2.535299999999999,6.427746089999995,70.0989,42.403031999999975,6,6,39,15,24,0,15,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2188.347350999997,2454.5319270000014,3447.3695970000026,3701.618445000006,3323.4364980000046,3214.472706000001,2608.9761720000024,926.5777920000004,109.73491200000001,7098.763392582267,9106.432319132395,13239.670676719807,15649.139620500704,15282.306164121026,14249.676616786346,13529.741666254893,9939.5585779476,3357.044398540473,274.35087600000014,283.93090800000016,514.1650440000001,663.6353160000012,783.299016000002,719.2403280000018,643.2664800000005,875.2665600000029,725.5941120000008,52.50420971637604,68.55856343999997,103.3168945172818,126.70132502728174,129.6782902445637,119.65639145456375,116.30966774909383,104.18428718184573,48.01819372369204,6339.938989931978,5576.856486459601,11044.243288852185,14259.816790823073,17667.319102128244,16289.216172712166,13655.861620554277,21010.37664463819,19971.10641861886,73.66666666666667,88.66666666666667,137.3333333333333,187.33333333333343,200.33333333333331,170.0000000000001,174.00000000000006,198.0,108.0,56.11147053846147,62.93671607692311,47.8801332916667,39.802348870967805,29.94086935135139,31.514438294117657,28.98862413333336,7.353792000000003,1.016064,182.01957416877607,233.49826459313832,183.88431495444175,168.27031850000756,137.67843391100024,139.7027119292779,150.3304629583877,78.88538553926666,31.083744430930306,7.03463784615385,7.280279692307697,7.141181166666668,7.135863612903239,7.05674789189191,7.0513757647059,7.147405333333339,6.946560000000023,6.718464000000007,1.3462617875993856,1.7579118830769223,1.4349568682955804,1.3623798390030295,1.1682728850861595,1.1731018770055268,1.2923296416565981,0.8268594220781408,0.4446129048490004,162.56253820338404,142.9963201656308,153.3922679007248,153.33136334218358,159.1650369561103,159.6981977716879,151.7317957839364,166.74902098919196,184.9176520242487,1.888888888888889,2.2735042735042734,1.9074074074074068,2.014336917562725,1.8048048048048047,1.6666666666666679,1.933333333333334,1.5714285714285714,1.0,0.062103549398036854,-0.012338129078784581,0.01555573911419315,-0.017306743832563552,-0.03223080403805926,0.03564168951947035,-0.036341784611998156,-0.04390379411315911,0.059872052341883066,1117.5323907692316,-1.3713474800169934E-12,339.5579187337268,-262.19029168047484,-163.3316571124255,94.56043306508872,-1405.511891467456,-1096.0413832544336,1934.1906763313686,2078.099200977439,4.263256414560601E-14,631.4224495277603,-487.5540433062467,-303.7221909120893,175.83916315962819,-2613.6093796908576,-2038.1357548047888,3596.7101555378845,0.2189169230769231,3.273423199168235E-15,0.06651706508876003,-0.05136127810650547,-0.0319955502958568,0.018523739644971178,-0.27533013017751073,-0.21470698224852386,0.3788946745562019,9.290070321683077,1.815214645262131E-14,2.8227521362037176,-2.179593421625629,-1.3577795085536817,0.7860828733731834,-11.684049981501396,-9.111415123189184,16.07896786445141,50.46380943183688,-5.964118088286341E-13,15.333234404288408,-11.839586059008479,-7.375479840037876,4.270014644232231,-63.467944939272336,-49.493351558146784,87.3412086320276,6.974358974358964,-2.871794871794873,4.1499013806706095,-0.1696252465483228,-4.773175542406331,1.8106508875739626,-1.633136094674557,-10.224852071005904,10.224852071005913,0.0015923987025137656,-3.1636228407139953E-4,2.1605193214157154E-4,-1.8609401970498443E-4,-2.9036760394647983E-4,3.4942832862225835E-4,-4.037976067999795E-4,-3.484428104218977E-4,5.543708550174358E-4,28.654676686390555,-3.5162755897871626E-14,4.716082204635095,-2.819250448177149,-1.4714563703822117,0.9270630692655757,-15.616798794082845,-8.69874113693995,17.909172928994153,53.28459489685741,1.0931426704001542E-15,8.769756243441115,-5.242516594690825,-2.7362359541629666,1.7239133643100804,-29.040104218787306,-16.1756805936888,33.30287181053597,0.005613254437869823,8.39339281838009E-17,9.238481262327781E-4,-5.52271807596833E-4,-2.882482008635748E-4,1.8160529063697233E-4,-0.003059223668639008,-0.0017040236686390782,0.0035082840236685363,0.2382069313252071,4.6543965263131565E-16,0.03920489078060719,-0.02343648840457666,-0.012232247824807942,0.007706694836991994,-0.12982277757223773,-0.0723128184380094,0.1488793320782538,1.293943831585561,-1.529261048278549E-14,0.2129615889484501,-0.1273073769785858,-0.06644576432466555,0.04186288866894344,-0.7051993882141371,-0.3928043774456094,0.8087148947409963,0.1788297172912555,-0.07363576594345829,0.057637519175980687,-0.0018239273822400301,-0.043001581463120095,0.01775147928994081,-0.018145956607495076,-0.08114961961115796,0.09467455621301771,-0.198670272446209,0.13567703352213945,-0.11686396089824479,-0.18234604404544202,0.2194352005378111,-0.2535782063641118,-0.2188163114374841,0.34813571132801363,-1.227121013533266E-15,0.16458333333333272,-0.09838709677419402,-0.05135135135135114,0.03235294117647055,-0.5449999999999997,-0.30357142857142716,0.6250000000000019,2.0515172772095616E-17,0.16458333333333333,-0.09838709677419383,-0.051351351351351694,0.032352941176470355,-0.5450000000000003,-0.3035714285714275,0.6250000000000016,1.4952810194660094E-14,0.16458333333333983,-0.09838709677418701,-0.051351351351349446,0.032352941176471924,-0.5449999999999919,-0.303571428571433,0.6249999999999817,1.9539299299224997E-15,0.16458333333333414,-0.09838709677419284,-0.051351351351351396,0.032352941176470584,-0.5449999999999994,-0.303571428571429,0.6249999999999973,-1.1818604571147708E-14,0.16458333333332809,-0.0983870967741985,-0.051351351351352596,0.03235294117646968,-0.5450000000000049,-0.30357142857142294,0.6250000000000161,-0.41176470588235375,0.32230392156862775,-0.010199240986717243,-0.24046104928458,0.09926470588235299,-0.10147058823529431,-0.45378151260504207,0.5294117647058829,1.4330327668005223,0.7776970348409794,1.2579630249142357,1.3192741676322939,0.8996710319819843,1.2837637615962925,1.2570028401285032,0.0,1.2666666666666666,0.9434027777777777,1.1951612903225808,1.0569819819819821,0.9686274509803922,1.6466666666666667,1.1761904761904762,0.0,1.2666666666666666,0.9434027777777776,1.1951612903225801,1.0569819819819817,0.9686274509803919,1.646666666666666,1.1761904761904758,0.0,1.2666666666666648,0.9434027777777764,1.19516129032258,1.0569819819819815,0.968627450980391,1.6466666666666672,1.1761904761904765,0.0,1.266666666666667,0.9434027777777778,1.1951612903225792,1.0569819819819806,0.9686274509803914,1.6466666666666652,1.1761904761904753,0.0,1.2666666666666668,0.9434027777777775,1.1951612903225795,1.056981981981981,0.9686274509803915,1.6466666666666647,1.176190476190475,0.0,1.7463235294117667,0.5801674836601315,1.1619623655913993,1.3416799152093288,0.6766147635524802,1.2107843137254928,1.5567226890756325,0.0,83.97603913989408,41.98801956994702,54.481927214220455,83.97603913989403,5.598402609326269,41.98801956994702,-4.263256414560601E-14,3.3306690738754696E-16,2.2204460492503132E-17,-53.45728242151349,359.3528759229643,23.956858394864287,8.826457270511122,83.97603913989408,41.98801956994702,54.481927214220455,83.97603913989403,5.598402609326269,41.98801956994702,-4.263256414560601E-14,3.3306690738754696E-16,2.2204460492503132E-17,-53.45728242151349,359.3528759229643,23.956858394864287,8.826457270511122,83.97603913989408,41.98801956994702,54.481927214220455,83.97603913989403,5.598402609326269,41.98801956994702,-4.263256414560601E-14,3.3306690738754696E-16,2.2204460492503132E-17,-53.45728242151349,359.3528759229643,23.956858394864287,8.826457270511122,83.97603913989408,41.98801956994702,54.481927214220455,83.97603913989403,5.598402609326269,41.98801956994702,-4.263256414560601E-14,3.3306690738754696E-16,2.2204460492503132E-17,-53.45728242151349,359.3528759229643,23.956858394864287,8.826457270511122,83.97603913989408,41.98801956994702,54.481927214220455,83.97603913989403,5.598402609326269,41.98801956994702,-4.263256414560601E-14,3.3306690738754696E-16,2.2204460492503132E-17,-53.45728242151349,359.3528759229643,23.956858394864287,8.826457270511122,83.97603913989408,41.98801956994702,54.481927214220455,83.97603913989403,5.598402609326269,41.98801956994702,-4.263256414560601E-14,3.3306690738754696E-16,2.2204460492503132E-17,-53.45728242151349,359.3528759229643,23.956858394864287,8.826457270511122,103.29519972505409,51.42383466999959,66.59209205969161,103.06119972505408,6.870746648336939,51.42383466999959,-0.3900000000000148,4.996003610813204E-16,3.3306690738754695E-17,-52.84908475935124,111.68253545255094,7.445502363503396,7.073490512386205,0,11.89,12.110264591747015,-0.1516325930576844,0.07172561841958724,6.385436122762457,10.017897951871085,15.0,39.0,36.0,33.0,9.0,3.0,0.0,0.0,0.0,6.0,26.236967999999994,3.8862190711391897,3.3403713617030424,3.34037136170304,2.960216236273129,2.425252947073639,2.425252947073639,2.3335527931030473,2.3335527931030473,2.0520486154523345,1.7660797336076082,1.7660797336076022,1.5012509615869392,1.2496297225843556,1.2496297225843553,1.249629722584355,0.9310532914550466,3.895539013610926,3.3666238778654574,3.3666238778654543,2.9981399616107005,2.456850110428706,2.4568501104287055,2.4054545878412887,2.405454587841288,2.0229857708217454,1.7003438092819856,1.7003438092819834,1.4268347258152971,1.1345406859483504,1.1345406859483504,1.1345406859483502,0.8524270737806434,3.938989749532894,3.487254786356532,3.4872547863565293,3.1639614506753055,2.704236987233521,2.7042369872335206,2.7042369872335197,2.6003684014456883,1.9482323900167167,1.512226714434712,1.5122267144347112,1.1966449599700162,0.7603185604308981,0.760318560430898,0.7603185604308969,0.6298627092041881,3.902524700007632,3.3862625147634984,3.3862625147634975,3.0260690597347084,2.4803850896338746,2.480385089633874,2.457539916041694,2.4575399160416938,2.005537013360411,1.6588496160447663,1.6588496160447654,1.3783379181455526,1.058262670532712,1.0582626705327114,1.0582626705327107,0.803097692483335,3.9619259795426425,3.5486130403532865,3.5486130403532794,3.2433232761453956,2.838982085149653,2.838982085149649,2.8389820851496483,2.6727949832747897,1.9275537909123646,1.4559536708181302,1.4559536708181233,1.1222225371096002,0.6313372621875605,0.6313372621875605,0.6313372621875604,0.5633284784815571,3.8962762100343173,3.371777846607396,3.3717778466073893,3.082341473572832,2.5875170448718823,2.587517044871882,2.5875170448718814,2.551838037146321,2.013063090810678,1.6529729079558297,1.6529729079558257,1.299470722562439,0.9208503782052164,0.9208503782052162,0.920850378205215,0.7218423766604363,0,0,0,3,3,6,0,3,0,0.0,0.0,0.0,0.06804138174397717,0.11785113019775792,0.0,0.0,0.0,0.024056261216234408,0.041666666666666664,1.5,0.0,0.5,0.0,1.1547005383792517,0.0,0.28867513459481287,0.0,2.99156383156272,2.8794454097708395,4.557640714150005,1.8660254037844384,1.4828523861716623,2.164137926216904,11.585421958697399,6.913591357920935,6.719396554912958,4.644923705673915,3.088274216628679,2.839091203758511,1.9414030135091844,0.8563047002507824,0.77236146391316,0.4609060905280623,0.3199712645196647,0.19353848773641313,0.11438052654180293,0.07886364454884753,0.058830394348763165,0.035679362510449265,10.964101615137757,6.062177826491073,5.397114317029975,3.0,1.7023502691896253,1.4433756729740643,0.9910254037844382,0.3333333333333334,0.7309401076758505,0.4041451884327382,0.257005443668094,0.125,0.06305000996998612,0.04009376869372401,0.03003107284195267,0.013888888888888893,21.501933645430462,37.65404224326294,35.705882352941174,36.12,24.5826538922156,296.56714491017965,0.5513316319341144,0.9654882626477678,0.9155354449472096,0.9261538461538461,0.630324458774759,7.604285766927683,5.056800000000005,68.70900000000006,74.51623707186718,97.37944249417981,149.03247414373436,9.935498276248957,74.51623707186718,4.996003610813204E-16,3.3306690738754695E-17,-52.84908475935124,82.14581442366843,5.476387628244562,6.612743839160151,147,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,9.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,3.0,3.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.517222222222221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9241666666666667,0.0,2.79375,0.0,0.0,0.9241666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.604444444444445,0.0,0.0,0.0,0.0,7.086944444444445,1.878333333333333,0.0,0.0,0.0,4.430277777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4767592592592593,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3080555555555555,0.0,0.28597222222222224,0.0,0.0,0.3080555555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2674074074074073,0.0,0.0,0.0,0.0,2.3623148148148148,0.6261111111111108,0.0,0.0,0.0,1.4767592592592593,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3623148148148148,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3080555555555556,0.0,0.35930555555555554,0.0,0.0,0.3080555555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2674074074074073,0.0,0.0,0.0,0.0,2.3623148148148148,0.6261111111111111,0.0,0.0,0.0,1.4767592592592595,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,26.999999999999996,1.7999999999999998,0.35930555555555554,2.3623148148148148,0.06069444444444441,0.6261111111111108,9.68046361111111,0.7072222222222224,0.36231481481481476,5.382777777777778,0.7072222222222224,0.36231481481481476,5.382777777777778,7.5,0.5,0.0,0.0,0.45385,0.7,0.43333,0.43333,0.7,0.02051,0.02051,-0.0,0.0,0.71429,0.0,0.0,0.4,0.4,0.0,13.5,0.9,7.5,0.5,6.0,0.4,-1.5,-0.1,0.0,0.0,16.50986,1.10066,23.04605,6.53619,0.43575,5.04458,0.33631,6.91355,1.86897,0.1246,0.50045,0.03336,0.58645,0.0391,0.15384615384615385,15.0,0,0,0,0,0,0,0.6,0.961236604722876,2.0349409139562287,2.353533948577482,2.353533948577482,2.353533948577482,2.353533948577482,37.48822758419216,79.36269564429291,91.7878239945218,91.7878239945218,91.7878239945218,91.7878239945218,0.18186631119434363,0.3850115525161065,0.4452894692060183,0.4452894692060183,0.4452894692060183,0.4452894692060183,4.324165614139373,3.25046130490602,2.9318682702847667,2.9318682702847667,2.9318682702847667,2.9318682702847667,0.1782603896169623,0.3773778052011608,0.4364605723386111,0.4364605723386111,0.4364605723386111,0.4364605723386111,6.796774065078518,16.004330104473542,16.325416139785684,16.325416139785684,16.325416139785684,16.325416139785684,58.06266587286679,41.28001451265182,41.302275559690564,41.30227555969057,41.30227555969056,41.302275559690564,13.066666666666666,5.365079365079365,3.5,3,6,3,3.11,1.9844999999999993,3.114327349038794,5.060595991810496,11.815556183018474,0.0,1.5000000000000004,9.442035570794832,0.0,6.3771225031289545,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.179,0.16,0.3880000000000001,0.635,6.6819999999999995,21.0,24.0,27.0,36.0,33.0,24.0,12.0,0.0,0.0,207.0,2.9444389791664403,3.481240089335692,3.965563772356176,4.447053317890954,4.972846888034599,5.0072963928307415,5.029620594007336,4.123093975508087,0.0,0.0,6.559880782969465,3.4067028985507246,0.3333333333333333,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.2,9.0,0.6,1,4.0,6.0,0.5,4.5,2.000000000000001,0.9375,1.053333333333334,1.0416666666666667,0.0,0.0,0.0,0.0,0.0,0.3,0.09523809523809527,0.044642857142857144,0.05851851851851855,0.05787037037037038,0.0,0.0,0.0,0.0,0.0,0.5562698412698414,48.857961542078286,64.34127631562617,97.71592308415657,6.514394872277105,48.857961542078286,6.852157730108388E-16,4.568105153405592E-17,-52.375196832203486,410.4575938869257,27.363839592461712,9.025908929988262,0.0,236.83039328560028,4.906890595608519,4.290459441148391,5.093750200806762,5.953243334287785,6.796823718274855,7.655864017616056,8.50976567558744,9.368454615069874,10.224954919906036,11.083510843105353,98.97682676580257,3.4339872044851463,0.0,4.74493212836325,0.0,6.236369590203704,0.0,7.810758116529357,0.0,9.4343635363174,9.657970572245025,204.187800768,5.235584635076923,28.95149813134445,1.9300998754229635,0.0,0.0,0.0,354.0,21.0,6.162000000000001,72.0,1.2408539420759235,2.151056534510446,2.980027622378579,3.6715860643608673,4.491238875552117,5.7442090823109035,6.281353407909868,6.63672701373111,0.0,0.0,88.61529267096799,114.68797218803746,128.6341699522691,128.03869605436327,164.55615718711115,173.77662263940013,46.94857642961558,6.74333939647968,0.0,0.0,314.31690187233085,427.52178674415416,528.2677673159728,553.4156286348438,699.0969367333814,880.2086445250102,501.21514435062136,206.2943263526686,0.0,0.0,9.067426347886581,15.4278023680992,21.31856382598352,26.002725023293145,31.85568240185767,41.07763577161534,43.66103606039504,44.58861151957995,0.0,0.0,2.3146742670955427,3.2774906564939443,4.218102840009975,4.570289144005455,5.724074928694907,7.512851606161692,5.239441625535978,2.9507744762648156,0.0,0.0,175.3417596573185,325.2423566724335,453.19225513115407,577.906987323586,703.4957488592812,870.2781035930074,1045.2399522744438,1227.2479765050618,0.0,0.0,2.882949037688976,4.286043324631819,6.142720549243333,6.822678722355656,7.850098459772636,11.197880077591577,9.938934471710741,6.63672701373111,0.0,0.0,0.47739034241770684,0.6820341599704569,0.8838232092159033,0.9642680488603175,1.2057829927051242,1.5900911281266081,1.1464937433489715,0.6796008462060654,0.0,0.0,433.9682208935246,309.7651863500845,11.480240722897218,78.0870015736227,-55.7382624565667,-4.451382526246192,355.8812193199019,365.5034488066512,15.93162324914341,0.8475027728505735,0.6049448824241971,0.022419927029713623,0.15249722714942654,-0.10885205347191394,-0.00869316888283819,222.21569389330583,158.61688140906983,5.878517217339539,39.98485696257384,-28.541068382129502,-2.2793536697633656,0.08730366197022636,0.08216598360724205,0.5330486874704403,0.7261066358588754,512.0552224671472,0.0,1.0,0.0,1041.6424713895447,32.27448638459712,10.136924839714492,1274.7682742332656,35.70389718550715,10.842857465745011,2117.820914305045,46.01978829052829,12.841913617800143,1.1451423654719477,1.0539051649223017,1593.785736317183,975.7040672695338,877.7298777309151,1.6334724736541524,1.8158043570732687,1.1116222564872682,5.842828758029974,5.462203494223519,8.622589913311744,0.5785918489544467,6.938709078026827,9.745300070838,6.3196942560855005,22.934826841706727,13.02761625917801,14.269983784924024,19.374174161164902,12.76114193090196,20.3620355775462,22.886549972968808,25.43825575276107,25.228826308327715,19.662957988926635,13.450237151825316,3.2698651872266695,1.2847211340525162,6.515986133982259E-7,3.6804945788176163E-34,4.009666326274404E-83,8.425315816741729E-154,3.4146016798952983E-246,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5824272902389712,9.563120297723025,0.3996696722107758,14.05591281999943,3.0659255307742117,4.315723929158628,2.098154085419707,2.3993331194476943,8.09691611265146,1.7994445189979693,5.348720590923884,3.307018184616326,1.0579579596882753,0.3565551847089652,0.02338251037622504,0.009048395992721824,4.589262312310176E-9,2.5922024255301446E-36,2.824040778746142E-85,5.934018819566279E-156,2.4049318827382843E-248,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.879879756234874,9.57529476780317,1.3756621644357883,15.695008209799637,4.085167412882912,6.135203423771335,4.641828207420884,4.060933764566172,9.958855549809275,5.545441934441302,8.51095362656751,5.753669322673214,3.420657070853266,1.6598479675204862,0.2408954572608903,0.0942912625941416,4.782365163411341E-8,2.7012747872599434E-35,2.9428682261420013E-84,6.183705125243892E-155,2.506124443036082E-247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.549582005746382,9.725298630521937,5.875055373602231,22.329965273860388,12.058995459662427,13.585452050290368,17.96889131114793,11.966378369366492,19.384185277078515,21.398093697951925,23.87638942486863,23.1693294471295,18.016325523309696,12.164200542016205,2.9136337866182793,1.1446634009093017,5.805626334545139E-7,3.279254407786061E-34,3.572540508512526E-83,7.506804707185809E-154,3.0423486218603726E-246,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.7705402462017488,9.591078831126044,2.1146579716263956,16.871646303907788,5.085967606710679,7.447284169799448,6.679773594854024,5.33621379240336,11.427532700555057,8.282731568058757,10.960378457111084,8.035390807813425,5.4686506249432005,2.9611228471088937,0.5223894988650367,0.2048132221779163,1.0387936186258585E-7,5.867529800168874E-35,6.392303032737211E-84,1.3431833839692226E-154,5.443637175232256E-247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.379471542169886,9.829403237355649,8.05934565281593,25.243959446545507,17.021343158725934,16.889811468515333,24.97204276250198,15.885939727916677,24.240303471907495,28.621901349381805,31.598104124575435,33.668837549034585,26.336092685135373,18.761909347045936,4.767641042190586,1.873645033902721,9.50295339378747E-7,5.3676554445360465E-34,5.847721502123202E-83,1.228753129428545E-153,4.979875640490701E-246,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.111041797121635,7.695062727129256,2.8108766319197693,18.569648400398012,7.433464476407179,10.21193451327185,9.728067779783759,7.101999186999075,12.885204914955319,11.085471610288483,14.471147557152955,12.429188138890286,8.937170427829534,5.202425196956552,1.010633126126867,0.3965188685347273,2.0111068314760057E-7,1.1359551169190174E-34,1.2375513352698778E-83,2.6004061162783116E-154,1.0538894073750922E-246,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.603036241310494,4.963711265965183,1.204251466988258,0.47600346016178824,0.42168989028185466,0.5320832192618078,0.5017117252117315,0.4567558107204826,11.770998974263936,40.53687530153537,85.80034039297473,0.3465400256654645,1.4905507551940218,4.142743094847882,3.662716465560534,0.6359577442464741,0.490763925693311,0.4338982819319672,0.2914958199474474,0.2733020876001715,0.12790941084907076,8.44141730465489,20.137635800930955,38.22888089785077,0.3869933114379173,0.6927073183966896,4.68327162122244,4.144370459212813,0.8464971715262104,0.4841021510283606,0.42839681663384455,0.37217245825678485,0.3498366069056383,0.22631986154956063,9.674139251961464,26.881786611798173,52.9857693968969,0.3687484514933078,0.9483289267119838,5.562629077311064,4.927721093234148,1.1885451921790264,0.4762975353872436,0.42193383365365644,0.5244592115154599,0.4944670059236648,0.4449770197649489,11.678895362724239,39.87933989757927,84.1375481193336,0.34734705356135015,1.4639032372040737,4.9401416117448695,4.373221368577891,0.9464657493694801,0.4815033215367384,0.42624701481825533,0.413962632677057,0.3895082032832126,0.28272204329836664,10.259828729692241,30.41911193260464,61.126701752532774,0.3616255045324907,1.0861928792586362,5.731119856366651,5.0777911001580085,1.2540320748826903,0.4751012950525405,0.42094131481325553,0.5566137038429003,0.5250239264408296,0.4950936646507806,12.06294303140735,42.656150434630284,91.21321935932096,0.34406391479869414,1.5767312949345105,5.567030352351541,4.930600388331569,1.1912299224978486,0.47626800530587826,0.4218204434468616,0.5252567974662533,0.49503834483726045,0.4469264661560047,11.688860663180959,39.95389387079311,84.34058883353215,0.34713267312910984,1.4672216084595184 +UMLCN0340,L,4-methyl-4-(2-naphthyl)heptane,C(C(CCC)(C)C1=CC=C2C(=C1)C=CC=C2)CC,Aromatics,,C18H24,NREL (2014),Unknown,UML,,9,0,1.6758000000000002,2.8083056400000004,83.4067,47.683031999999976,10,11,42,18,24,0,18,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2621.1397139999976,3031.588411000002,4236.2524100000055,4729.67076400001,4451.308033000012,3798.6513800000075,3064.2884320000026,2240.945122999998,1334.9700059999964,8369.314097830262,10800.499926129718,15890.256161534911,18914.99701570207,19301.039406778676,18005.807935332057,15078.432632318709,11629.26815365259,7697.383166055334,296.97242400000005,314.0929720000001,560.9810960000008,763.8473440000014,887.103556000001,938.7368480000015,889.5495040000027,687.8096120000015,523.1871599999997,60.87090971637603,79.71416343999996,121.71959585303684,150.00484676637618,159.00219463001724,154.18231941880921,132.77245393699673,103.47472438456376,71.493221020017,6720.322058201978,6084.033910819602,11672.362095458338,16410.005743311467,19531.352115814465,21142.33429012294,20710.453022073347,15861.023323220863,12375.46037100462,82.89583333333334,101.61111111111111,157.52777777777777,205.69444444444443,230.5833333333333,234.91666666666663,210.6666666666667,167.58333333333337,122.0,62.408088428571375,70.50205606976749,54.3109283333334,44.20253050467299,35.61046426400009,28.561288571428626,24.12825537007876,22.866786969387736,17.79960007999995,199.2693832816729,251.17441688673762,203.72123284019116,176.77567304394458,154.40831525422942,135.38201455136885,118.72781600250951,118.66600156788358,102.63177554740446,7.070772000000001,7.304487720930235,7.1920653333333435,7.138760224299078,7.096828448000008,7.058171789473695,7.0043268031496275,7.018465428571444,6.975828799999996,1.4493073741994293,1.8538177544186039,1.5605076391414978,1.401914455760525,1.272017557040138,1.1592655595399188,1.0454523932046986,1.0558645345363649,0.95324294693356,160.00766805242804,141.48916071673494,149.64566789049152,153.36453965711652,156.2508169265157,158.96491947460856,163.074433244672,161.84717676755983,165.0061382800616,1.9737103174603177,2.363049095607235,2.0195868945868947,1.9223779854620975,1.8446666666666662,1.7662907268170422,1.6587926509186355,1.7100340136054426,1.6266666666666667,0.08362226760549704,-0.012684433868392367,-0.012029595000339476,0.003661023960551797,-0.021374667074642355,-0.013133365399188957,0.005758455620075846,-0.0035050014342554885,3.7748071772037307E-4,1245.2503782857143,39.53175804081481,160.59776704081494,9.882939510203165,-264.3686318979594,-432.3786035714294,91.41719046938876,-276.7223062857135,-96.35866022448877,2315.596252517718,73.51099214341946,298.63840558264206,18.377748035854893,-491.6047599591188,-804.026476568652,169.99416933165793,-514.5769450039377,-179.18304334958538,0.24393599999999965,0.0077440000000022135,0.03146000000000211,0.001936000000001696,-0.05178799999999915,-0.08470000000000022,0.017907999999998214,-0.05420800000000102,-0.018876000000001465,10.351792644161149,0.32862833790989354,1.335052622758893,0.08215708447748055,-2.1977020097723035,-3.5943724458892667,0.7599530314165822,-2.3003983653691504,-0.8010315736553404,56.231101938332465,1.7851143472480118,7.252027035697028,0.44627858681168364,-11.93795219722565,-19.524688173032185,4.128076928012925,-12.495800430740339,-4.351216221418177,7.561011904761897,-0.7246669501133766,2.234410430839004,1.8599418934240366,-0.4514243197278899,-2.973958333333338,-0.039647108843541376,-2.5059523809523863,-0.6163903061224487,0.0019910063715594534,-2.949868341486597E-4,-1.5422557692742916E-4,3.421517720141866E-5,-1.7099733659713885E-4,-9.874710826457863E-5,4.5342170236817685E-5,-3.576532075770907E-5,5.033076236271641E-6,29.648818530612246,0.9193432102515071,2.0589457312924995,0.09236392065610435,-2.114949055183675,-3.250966944146086,0.7198203973967618,-2.823697002915444,-1.284782136326517,55.133244107564714,1.7095579568237083,3.8286975074697702,0.17175465454069994,-3.9328380796729503,-6.045311853899639,1.3385367663910073,-5.250785153101405,-2.3891072446611386,0.005807999999999992,1.8009302325586543E-4,4.033333333333604E-4,1.8093457943941083E-5,-4.1430399999999317E-4,-6.368421052631595E-4,1.4100787401573396E-4,-5.531428571428675E-4,-2.516800000000195E-4,0.2464712534324083,0.007642519486276594,0.017116059266139655,7.67823219415706E-4,-0.017581616078178427,-0.027025356736009525,0.005983882137138442,-0.023473452707848473,-0.010680420982071205,1.3388357604364873,0.0415142871453026,0.09297470558585932,0.004170827914127885,-0.0955036175778052,-0.1468021667145277,0.032504542740259254,-0.1275081676606157,-0.0580162162855757,0.18002409297052135,-0.016852719770078524,0.028646287574859024,0.01738263451798165,-0.003611394557823119,-0.022360588972431112,-3.121819593979636E-4,-0.025570942662779452,-0.008218537414965983,-0.14815966355628066,-0.0774611167148763,0.017184865749384652,-0.08588487663311965,-0.04959658074184618,0.022773493286866522,-0.01796343862510893,0.0025279056401660283,0.031007751937983302,0.06944444444444385,0.0031152647975074992,-0.07133333333333339,-0.10964912280701775,0.024278215223097376,-0.09523809523809497,-0.04333333333333288,0.031007751937984426,0.06944444444444442,0.0031152647975077863,-0.07133333333333335,-0.10964912280701752,0.02427821522309712,-0.0952380952380953,-0.04333333333333335,0.031007751937993402,0.0694444444444492,0.0031152647975105216,-0.07133333333333225,-0.10964912280701797,0.024278215223094722,-0.09523809523809715,-0.043333333333336756,0.031007751937985988,0.06944444444444521,0.0031152647975082096,-0.07133333333333321,-0.1096491228070169,0.02427821522309679,-0.0952380952380955,-0.043333333333334056,0.031007751937973414,0.06944444444443858,0.003115264797504446,-0.07133333333333516,-0.10964912280701798,0.0242782152230996,-0.09523809523809364,-0.04333333333332928,-0.09361369076770257,0.15912474326172446,0.09655726759211074,-0.020060617988584887,-0.1242088689545161,-0.0017341121082558816,-0.14204178030196576,-0.045652430623892966,1.267911637149293,0.9699979625319937,0.8967150033778363,1.0414112255841228,1.0472532387938656,0.8544188471276651,0.9991739373980376,1.0194080222723363,1.1124031007751944,0.9965277777777787,1.0244678089304267,1.0682777777777788,1.0789473684210535,0.910214348206475,1.0372023809523818,0.9566666666666673,1.1124031007751938,0.9965277777777776,1.0244678089304253,1.0682777777777774,1.0789473684210522,0.910214348206474,1.0372023809523807,0.9566666666666664,1.1124031007751938,0.9965277777777776,1.0244678089304264,1.0682777777777792,1.0789473684210544,0.9102143482064751,1.0372023809523814,0.9566666666666664,1.1124031007751933,0.9965277777777767,1.0244678089304238,1.0682777777777759,1.078947368421051,0.9102143482064723,1.0372023809523792,0.9566666666666658,1.112403100775195,0.9965277777777782,1.0244678089304258,1.0682777777777779,1.0789473684210527,0.9102143482064743,1.0372023809523812,0.9566666666666672,1.2628106839738877,0.761581188170443,0.833724810714402,0.994285639309848,1.0944488755839616,0.9457151107440055,1.1544830882559685,1.0363104375779058,114.26737689227642,57.1336884461382,81.80872136242958,114.26737689227639,6.348187605126467,57.1336884461382,-7.105427357601002E-15,0.2980443992866366,0.016558022182590924,-2.178923062824036,128.6746397617412,7.148591097874511,8.743116682686612,114.26737689227642,57.1336884461382,81.80872136242958,114.26737689227639,6.348187605126467,57.1336884461382,-7.105427357601002E-15,0.2980443992866366,0.016558022182590924,-2.178923062824036,128.6746397617412,7.148591097874511,8.743116682686612,114.26737689227642,57.1336884461382,81.80872136242958,114.26737689227639,6.348187605126467,57.1336884461382,-7.105427357601002E-15,0.2980443992866366,0.016558022182590924,-2.178923062824036,128.6746397617412,7.148591097874511,8.743116682686612,114.26737689227642,57.1336884461382,81.80872136242958,114.26737689227639,6.348187605126467,57.1336884461382,-7.105427357601002E-15,0.2980443992866366,0.016558022182590924,-2.178923062824036,128.6746397617412,7.148591097874511,8.743116682686612,114.26737689227642,57.1336884461382,81.80872136242958,114.26737689227639,6.348187605126467,57.1336884461382,-7.105427357601002E-15,0.2980443992866366,0.016558022182590924,-2.178923062824036,128.6746397617412,7.148591097874511,8.743116682686612,114.26737689227642,57.1336884461382,81.80872136242958,114.26737689227639,6.348187605126467,57.1336884461382,-7.105427357601002E-15,0.2980443992866366,0.016558022182590924,-2.178923062824036,128.6746397617412,7.148591097874511,8.743116682686612,146.67865410253967,72.61630611513802,104.48721770591294,146.45951830007044,8.13663990555947,72.61630611513802,-0.39444444444461624,0.5599681801454397,0.031109343341413315,-1.0437755724651305,103.93737539125341,5.774298632847412,8.358819404527658,0,11.890000000000002,12.110335656157309,-0.17030086598818656,0.05034345213045757,5.673598230937611,11.754740605866909,19.0,43.0,38.0,32.0,8.0,5.0,0.0,0.0,0.0,11.0,26.236967999999994,4.004397570117944,3.6116005981534958,3.2214916164913503,3.158726066602963,2.9068191319590593,2.8064539048636137,2.4238159212988597,2.259201443381892,2.127789878758719,1.911211624849517,1.7088829911444985,1.5853938358890347,1.4357072554271688,1.1970545496343807,1.1575187465076324,1.091617933399053,4.011612603749401,3.6290430009663206,3.2435156816266835,3.197240257500971,2.9352199615264087,2.8368337739670886,2.447766899217716,2.3266848383299203,2.1067125618760154,1.8623709097043335,1.6317336011836392,1.5249183905294512,1.3596777871240802,1.136105813012053,1.046173270398113,0.9757096246993556,4.044717877905667,3.710623741628067,3.3647010139811853,3.3435319692033327,3.087004056212567,2.952498876793088,2.6274626027021153,2.5460030836898944,2.051655177800933,1.7278702146439326,1.3976618505360234,1.3641989215811827,1.1201500945854665,0.9739817004493907,0.680840362464953,0.6015651512168504,4.016993107812295,3.642152725704053,3.2599028579940987,3.225530554953656,2.957915824502434,2.8580143523199437,2.4663233286441,2.3755492905505955,2.0939973580272353,1.8320053377810992,1.5819570346906144,1.4882082916195254,1.3093264156101532,1.099417905553382,0.9714780046269927,0.8990644770566038,4.061872504125583,3.753248450619966,3.4447908655003934,3.3944399577118727,3.1682764552599445,3.00493364853079,2.7569705235870976,2.679762813132368,2.036085767823275,1.6891930384544398,1.3226200741067484,1.317663807822714,1.0456923087743073,0.9249461083438129,0.561669210042303,0.5111899175762142,4.049207026547415,3.591775951894649,3.3173055362315056,3.221656770898622,3.0218259005587695,2.932153537288087,2.527253850303729,2.455521950685542,2.082529237112412,1.8680958506106626,1.569163407577163,1.4151789262929326,1.218049542643313,1.0020568532580192,0.8705422135635044,0.8251768813919841,0,0,0,7,3,3,4,0,1,0.0,0.0,0.0,0.15137471507731048,0.24809686593468416,0.0,0.0,0.0,0.051834038994012184,0.07188092334087419,1.2802567583920093,0.14433756729740646,0.3596262622139681,0.07216878364870323,0.9785533905932737,0.125,0.18729557464220237,0.041666666666666664,3.0828671595694557,4.923750031604748,5.983026538186483,2.0023339199753547,2.970993709836874,2.9731493245049894,13.010225400620904,8.692818554270966,7.468622522036904,6.16751008388295,5.181817081973993,3.83448635933565,2.472504443785633,1.7315050347006422,0.7227903000344946,0.4575167660142614,0.2872547123860348,0.18139735540832208,0.12337659718985697,0.076689727186713,0.04945008887571266,0.032064908050011894,11.869879009073573,7.186704484461853,5.622589988988084,4.049942429916761,3.0819688062080712,1.79470995037268,1.0189682096903692,0.5801556344401934,0.6594377227263096,0.37824760444536065,0.2162534611149263,0.1191159538210812,0.07338020967162075,0.0358941990074536,0.020379364193807384,0.01074362286000358,24.501933645430455,40.65404224326296,38.70588235294116,39.120000000000005,27.582653892215603,316.795228742515,0.583379372510249,0.9679533867443562,0.92156862745098,0.9314285714285715,0.656729854576562,7.542743541488453,5.697700000000005,81.11600000000007,134.62383556988226,187.06117980966883,269.2476711397645,14.958203952209143,134.62383556988226,0.45112399462897945,0.025062444146054415,-1.4328234802944455,88.34961082508356,4.908311712504642,8.066343228900031,259,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,7.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,4.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,1.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.854596718316955,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.713883338057445,0.0,1.9634713955026455,0.0,0.0,2.713883338057445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.994068405139834,0.0,5.060529887881078,0.0,0.0,15.637070735701686,0.0,0.0,0.0,0.0,1.5045370370370372,2.712988945578232,0.3408049886621314,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.344071239606954,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.34145833333333336,0.0,0.2505783100277148,0.0,0.0,0.34145833333333336,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2866638321995465,0.0,1.25330042202066,0.0,0.0,2.1104064310909547,0.0,0.0,0.0,0.0,1.5045370370370372,1.344071239606954,0.3408049886621314,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.389537037037037,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.42200636967750066,0.0,0.30702699829931973,0.0,0.0,0.42200636967750066,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4207407407407406,0.0,1.276964521919879,0.0,0.0,2.389537037037037,0.0,0.0,0.0,0.0,1.5045370370370372,1.3689177059712776,0.3408049886621314,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,32.25,1.7916666666666667,0.42200636967750066,2.4207407407407406,0.05291666666666667,0.3408049886621314,11.42664004440665,0.9091950113378686,0.4207407407407407,5.2622782816830425,0.9091950113378686,0.4207407407407407,5.2622782816830425,9.0,0.5,0.0,0.0,0.47143,0.7,0.43846,0.43846,0.7,0.03297,0.03297,-0.0,0.0,0.71429,0.0,0.0,0.16667,0.16667,0.05556,19.5,1.08333,9.5,0.52778,10.0,0.55556,0.5,0.02778,0.0,0.0,17.57992,0.97666,28.0152,10.43527,0.57974,5.54568,0.30809,8.6928,3.14712,0.17484,0.2212,0.01229,0.3932,0.02184,0.23809523809523808,55.0,0,0,0,0,0,0,0.4444444444444444,0.9852281360342516,2.450776358201958,3.3224198758847723,4.129947184477477,4.2431587916718465,4.338396886909941,41.37958171343857,102.93260704448224,139.54163478716043,173.45778174805406,178.21266925021754,182.21266925021754,0.18270959566889616,0.45449408223802745,0.6161395213586421,0.7658946721184005,0.7868896541118806,0.8045514658657252,4.407089286744509,2.9415410645768025,2.0698975468939884,1.2623702383012834,1.1491586311069142,1.0539205358688193,0.17593633397505815,0.43764544686105716,0.5932984975864647,0.73750204706123,0.7577187201389761,0.7747257875562786,6.751545309820625,18.868012764833345,24.889633004356817,26.947921034669115,27.58545542955065,28.204875669169695,67.65160243293417,46.78876612873755,32.24357245069891,26.009870354369887,24.771479491084893,23.640707016825303,14.409972299168976,6.437869822485207,3.3217993079584773,8,10,7,3.44,2.2125999999999992,0.6551853485522243,7.63390400720667,1.913033917574397,1.4422495703074083,15.88081681722212,13.016709524821927,4.325072263661397,1.6509636244473134,1.3103706971044482,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.244,0.231,0.8160000000000001,1.379,8.927000000000001,26.0,34.0,42.0,50.0,50.0,54.0,52.0,47.0,27.0,419.0,3.2386784521643803,3.817712325956905,4.421848128860553,5.003946305945459,5.602579969147039,5.8799217661240855,6.268148865350222,6.560444833085341,6.8314013972374354,6.284804412148625,8.199214054691215,8.680405355011933,0.4444444444444444,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,3.0,0.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.2631578947368421,8.0,0.42105263157894735,1,5.0,9.0,0.8,4.0,2.666666666666667,1.1875,0.9155555555555559,0.6041666666666666,0.2644897959183673,0.17013888888888892,0.06550768455530359,0.03125,0.0,0.21052631578947367,0.10256410256410257,0.04241071428571429,0.03662222222222224,0.03020833333333333,0.016530612244897956,0.01546717171717172,0.010917947425883931,0.015625,0.0,0.4808724195827997,68.49980874587868,99.20418977748547,136.99961749175742,7.611089860653188,68.49980874587868,0.020295155319665525,0.001127508628870307,-7.015271536116918,142.1448913871033,7.896938410394629,8.922324418680471,0.0,260.1889710608007,5.169925001442312,4.51085950651685,5.351858133476067,6.2324480165505225,7.099201743553092,7.987864096085687,8.862908295118627,9.753536375772624,10.631881213283142,11.52282628964749,108.95338367000409,3.6635616461296463,0.0,4.962844630259907,0.0,6.4967749901858625,0.0,8.13593277200489,0.0,9.8233073354086,10.031572892299346,240.187800768,5.7187571611428565,36.1495671348964,2.008309285272022,0.0,0.0,0.0,594.0,28.0,7.272000000000002,90.0,1.251802497106346,2.1876319954681542,2.999950078627883,3.7309026913353533,4.4693147117326895,5.411344030973138,6.387299010049343,7.5452590004321385,8.759088777110385,9.707232121975272,98.7511758705591,130.0307469727217,143.33187517097798,151.34693571824576,147.75272845009144,150.67039386794076,166.02631801154203,148.17378114816736,117.15589173944508,45.910446320946164,338.945528221508,475.36473561496325,559.6146489372882,624.820531740632,667.1804927429285,700.7481690059078,822.9394323566517,819.8135882330627,804.7918467396581,573.619886819287,9.177363382642453,15.791447951565955,21.476918474226117,26.571642540254416,31.704911380521814,38.03831813294828,45.00836911771451,52.760833817142654,60.955066462810436,66.5150377089075,2.4536782327073308,3.587932241468051,4.380399110210588,5.03085539091124,5.574553421425635,6.015547894089247,7.164967643817263,7.48745362767131,7.82510185296549,6.490075145272729,175.02537730581568,323.34839756488094,455.7793390596755,576.4336873040796,698.6990193875179,872.6573400740263,1020.3974788278124,1235.578819578074,1454.8812803218946,1691.7003280921097,3.0313447526324557,4.566319495740857,5.930301757197814,7.145003929842461,8.29108050082732,9.321760171411206,11.355468356075496,12.615417053511429,14.217034404863464,12.957362788193599,0.5044289046223198,0.7440824241175871,0.9148541308314544,1.0562546612759567,1.1778518377360265,1.2785355118598685,1.5251219030335155,1.60748590105241,1.696348506032702,1.44123854896191,396.16164040175556,340.41707062950604,14.935037058605227,124.88259494516946,-107.31015527079626,-6.711653183642711,271.2790454565861,447.7272259003023,21.64669024224794,0.7603224707744453,0.6533362189543224,0.028663664321439207,0.23967752922555477,-0.2059521015511213,-0.01288115812119851,206.4177389969162,177.37235226519115,7.781814964078949,65.06935619134559,-55.91333779803183,-3.497068200984871,0.07290974038662804,0.0759345910166963,0.5225837459413554,0.7020839030586665,521.044235346925,0.0,1.0,0.0,1348.2117402471142,36.71800294470158,11.047212335695368,1582.1867922652566,39.77671168240603,11.652503756206402,2775.6248260054167,52.6841990164548,14.053578409979755,1.8040245072316792,1.8040245072316792,2588.6788307518364,2256.122352626872,632.7988069907351,1.1474017921668827,4.0908402515204765,3.56530753171901,6.3600740330960805,5.992979418019742,11.388496502104761,0.9003062930371046,7.265367093014532,11.152676328556673,8.150447806911302,36.25094437456407,8.058790464719202,21.015669801784323,24.54146549145612,29.095225130522174,21.08712493884248,17.2553872511984,23.128411664985286,12.81991806281254,13.422095650346522,10.464993835133694,13.357227272293793,6.587791874615066,4.577303707100773,6.953156725765516,4.197956993465105,2.199515934987306,1.0051676073570908,0.28940732279362397,5.756293557337596E-17,2.2157533052522434E-54,1.6450374262333777E-113,2.3556245133814607E-194,6.505972930371043E-297,0.0,0.0,0.0,0.6098649901333402,10.251521325566062,0.4888197263511872,17.383218948979152,2.1074339353439284,3.5597289099451257,4.658064055537179,3.5402584466007587,5.328629591355553,1.3535100554791193,4.7317369861218745,2.5370451507005543,3.8889927491710172,1.5360288159422608,1.4144874447074556,1.7083199532441176,0.26603137026796037,0.9167594829450834,0.09593727782279136,0.07551552576046618,0.007079477646432146,0.0020383194379077854,4.0542046189313194E-19,1.5605731700592526E-56,1.1586133099916027E-115,1.6590856056055827E-196,4.5822099311335524E-299,0.0,0.0,0.0,1.9683948293153835,10.311743601769212,1.7064464586968993,19.882203180477998,2.5789592914695074,5.941987657524446,7.792814110103997,7.675193421673,7.616715235866807,3.75715862142033,7.245225247385857,3.803922283812219,5.53502068606368,2.587387341920921,3.5377791734174426,2.5339123237083245,0.8373465898518648,1.788409912505038,0.4786255169391032,0.3156456886037382,0.0737736153817785,0.021240860095546314,4.224793793745575E-18,1.6262375640255956E-55,1.2073643985669939E-114,1.728895117213576E-195,4.775016038483854E-298,0.0,0.0,0.0,6.8579220126386495,11.053739282124056,7.558907837225763,34.617469451001575,7.431507178702797,19.52927658886802,22.99738115115722,27.148212476787357,19.793907654603434,15.983920768023228,21.56292039142063,11.89604686620211,12.73239774420569,9.645532097295709,12.514850077840016,6.228788023573477,4.204160259990343,6.456077399045582,3.786004281201245,2.001059288574581,0.8955862415774664,0.2578567142520939,5.1287539259123084E-17,1.97419630357103E-54,1.465698730272783E-113,2.0988190318369278E-194,5.796704750400684E-297,0.0,0.0,0.0,2.900982983287874,10.389820128798746,2.645125223634303,21.99920954391007,3.1233399217027342,7.9279586297153894,10.219039680789969,10.83478032545675,9.463122752271836,5.657273501794152,9.339332255205202,4.920654442015704,6.754008317926339,3.5381072287517297,5.088726838428455,3.151254417257099,1.3211981881875656,2.493812579179568,0.8763155112956084,0.5379189889575547,0.16024615072865844,0.046137986472030316,9.176816664962718E-18,3.532405297705091E-55,2.62255680972048E-114,3.7553912210120236E-195,1.03719729048773E-297,0.0,0.0,0.0,8.773952844806841,11.568692072416301,10.479744278099341,42.84216119827394,10.679893001657307,26.99344201666168,30.629613389913835,36.73850012728365,26.248306147814134,22.301372175125792,29.42346799328962,16.574822170405653,16.096191718724832,13.808877613423187,16.602488270424317,7.985471857914754,6.082886195346574,8.93842461816551,5.905842856801715,3.01200513474076,1.4659424880975822,0.42207338133910516,8.395013167854479E-17,3.231467955729684E-54,2.3991324829566387E-113,3.4354569674700085E-194,9.488350077377139E-297,0.0,0.0,0.0,4.179154218143276,8.549217555023965,3.879000385497139,23.18545265106156,3.7691772047733,10.429147894511516,13.178876191921669,14.792723017508385,12.120471175183887,8.24357738433444,12.820898536830535,6.541384029688418,8.583235131742532,4.983780518145588,7.219247395628948,4.318894497521378,2.148529310935535,3.659996172153098,1.5766823933451901,0.9284120916682062,0.3131295521025877,0.09015609406659135,1.7931990746492457E-17,6.902508944431002E-55,5.1246163196886186E-114,7.338235368889785E-195,2.026738998320022E-297,0.0,0.0,0.0,9.720937059286344,3.1297635012679104,1.1690766531644852,0.693373147882417,0.22323917517072597,0.4743130704866208,0.45321685258067274,0.4756594904641403,14.01977721371874,45.44768800842875,95.03572688929893,0.5400597218236255,1.4031894135314338,9.211671196719635,2.01090254143473,0.6258043017243924,0.777462633764334,0.16971964725184507,0.4263835409484454,0.18753802024372734,0.13630711191992573,11.848378039878757,25.546907942100816,48.98754282227747,0.666193950646501,0.7502286731120984,9.389741617889964,2.402468677169586,0.8159286908760617,0.7447365252210677,0.1905490318475662,0.44285751448911254,0.26748116318131354,0.23172970302855533,12.608138985935613,32.18016283227947,63.19447824799154,0.6171047878316016,0.9420683806989815,9.705572635304204,3.096053948379903,1.1527079002490614,0.695523863676843,0.2218704125191106,0.47283034776454047,0.4435429673785681,0.46243983902790126,13.95433448393317,44.80551257787259,93.39753964334156,0.5432857955152647,1.3788131541710098,9.47848593559457,2.5974784065928533,0.9106162306568566,0.7298677186367791,0.2000124969019433,0.45118203537681056,0.31254213125720737,0.28863294472088735,12.986580572844279,35.616731675730264,71.02283186337137,0.5948015779551686,1.0523571113549053,9.770168084450868,3.2377555069329365,1.221516198856036,0.6866164956931301,0.22753921128741522,0.479079440401102,0.48490216960937044,0.5192610124633092,14.22943979023984,47.52280489944812,100.39297417140179,0.5299247435396952,1.4832426224737816,9.736961485741691,3.100756479187983,1.154994097201192,0.6958594904624164,0.22159796224062284,0.47588862474113364,0.4450544860528046,0.4641443397873613,13.992712062130865,45.019434885544875,93.88366683945803,0.5437892356936245,1.3850874505812996 +UMLCN0341,L,2-methyl-4-isobutyl-4-phenylundecane,CC(CC(CCCCCCC)(CC(C)C)C1=CC=CC=C1)C,Aromatics,,C22H38 ,NREL (2014),Unknown,UML,,18,0,1.2998999999999938,1.689740009999984,95.7231,64.05813399999995,6,6,60,22,38,0,22,0,0,0,0,0.0,0.0,0.0,0.0,0.0,3212.421093999997,3633.8800060000053,4825.511404000014,5283.715109000014,6099.096395000027,6526.651691000009,5925.728622000027,4271.26108300005,2983.025149999998,10498.55412686063,13677.36326056497,19801.806202235293,23693.92801878845,26488.720425342377,29854.03202563237,29885.8032033625,24694.116308051412,17504.346635553,421.1929839999997,436.3613680000004,814.0699360000011,1146.958292000001,1370.8057400000027,1426.284908,1747.0559280000016,1654.996780000002,1369.7063600000047,78.25109038426183,103.67048377999991,158.46858834152712,198.20864859305462,222.264077187921,250.351148012753,263.9847204006564,228.84861906490121,167.67857285278652,9816.346610901463,8608.132647070202,17450.068472990402,25504.90997074764,31481.01844212175,31382.310390436076,40358.2035414031,38969.31859825691,33574.31165592721,103.89583333333334,125.95833333333333,199.79166666666663,266.7361111111111,301.15277777777777,348.3749999999999,405.7083333333334,371.3333333333333,275.25,53.540351566666615,60.564666766666754,42.329047403508895,32.615525364197616,31.277417410256547,32.47090393532343,23.798106915662757,18.02219866244747,15.065783585858576,174.97590211434382,227.9560543427495,173.70005440557276,146.2588149307929,135.8395919248327,148.5275225155839,120.02330603760039,104.194583578276,88.40579108865151,7.019883066666662,7.272689466666674,7.140964350877203,7.07998945679013,7.02977302564104,7.095944815920398,7.016288867469886,6.983108776371316,6.917708888888913,1.3041848397376972,1.727841396333332,1.3900753363291853,1.223510176500337,1.1398157804508768,1.2455280995659352,1.060179600002636,0.9656059876156169,0.8468614790544774,163.60577684835772,143.46887745117004,153.0707760788632,157.4377158688126,161.44112021600898,156.1308974648561,162.08113872049438,164.4275046339954,169.56723058549096,1.7315972222222225,2.0993055555555555,1.7525584795321634,1.6465192043895747,1.5443732193732194,1.73320895522388,1.6293507362784474,1.5668073136427565,1.3901515151515151,0.10407783635022147,-0.0116494852169229,-0.02147273845045878,-0.02840137918451506,0.0433762098940313,-0.015388357963884158,-0.02675778110444172,-0.03645946386109294,0.030255361860078007,1686.8530587333325,4.952482868247898E-12,-37.12690942666228,-288.9442081466648,752.6270226166661,-836.5661221899963,-483.05337591000284,-767.1549436966673,567.396028846658,3136.7752939198335,-1.3514522834157106E-11,-69.039073454707,-537.3040934082903,1399.542086880498,-1555.630426865047,-898.2583796225063,-1426.557376493207,1055.097144318503,0.33044293333333297,-1.314226505400029E-14,-0.007272906666678847,-0.056602186666675436,0.14743446666666424,-0.1638775600000134,-0.09462683999999971,-0.15028038666665966,0.11114898666668317,14.022845035562701,2.2370993946196904E-14,-0.3086367806870023,-2.4019992931729366,6.256604304144626,-6.9543918083066085,-4.015632896547574,-6.377375218326598,4.716775148325603,76.17231679238934,-1.2883027977750316E-12,-1.6765198911255508,-13.047698283099175,33.98597387985773,-37.776366677183915,-21.812981626911316,-34.64200340247079,25.621597466532513,8.681828703703697,-1.3785879629629623,2.2567245370370377,-3.0648958333333463,4.042042824074067,-1.7805381944444516,-0.021950231481495247,-6.410121527777779,1.4808680555555422,0.0017346306058370245,-1.9415808694871499E-4,-1.8835735482858578E-4,-1.753171554599695E-4,2.2244210202067332E-4,-7.655899484519481E-5,-1.0746096829093061E-4,-1.538374002577761E-4,1.5280485787918185E-4,28.11421764555554,8.254138113746497E-14,-0.32567464409352875,-1.7836062231275605,3.859625757008544,-4.1620205084079425,-1.939973397228927,-3.2369406907032374,2.865636509326556,52.279588231997224,-2.2524204723595175E-13,-0.6056059074974298,-3.316691934619076,7.177138907079477,-7.739454860025109,-3.607463371977937,-6.019229436680198,5.328773456154056,0.005507382222222216,-2.1903775090000484E-16,-6.379742690069164E-5,-3.493962139918237E-4,7.560741880341756E-4,-8.153112437811613E-4,-3.800274698795169E-4,-6.340944585091125E-4,5.613585185186018E-4,0.23371408392604504,3.7284989910328174E-16,-0.0027073401814649324,-0.01482715613069714,0.03208515027766475,-0.034598964220430885,-0.01612703974517098,-0.026908756195470878,0.023822096708715164,1.269538613206489,-2.1471713296250528E-14,-0.014706314834434657,-0.08054134742653811,0.17428704553773194,-0.1879421227720593,-0.08760233585104946,-0.14616879072772487,0.12940200740672986,0.1446971450617283,-0.022976466049382704,0.019795829272254716,-0.018919110082304607,0.02072842473884137,-0.00885839897733558,-8.81535400863263E-5,-0.027046926277543373,0.007479131593714859,-0.11193050917894211,-0.10858643574877792,-0.10106887015023719,0.12823600671644822,-0.04413561860811987,-0.06195034719745225,-0.08868597137633448,0.0880907193525781,2.935930217873717E-15,-0.011583983883151495,-0.06344143186248412,0.1372837688627162,-0.14803970577733286,-0.06900328587075619,-0.11513536430258631,0.10192837465564589,-4.308412802266383E-15,-0.011583983883154889,-0.06344143186248598,0.13728376886271604,-0.14803970577733527,-0.06900328587075641,-0.11513536430258618,0.1019283746556487,-3.9771663208010214E-14,-0.01158398388317227,-0.06344143186249439,0.13728376886271412,-0.1480397057773457,-0.06900328587075562,-0.11513536430258091,0.10192837465566262,1.5953249065694472E-15,-0.011583983883151969,-0.06344143186248437,0.13728376886271676,-0.14803970577733414,-0.069003285870757,-0.11513536430258824,0.10192837465564665,-1.6913005301996417E-14,-0.011583983883161095,-0.06344143186248889,0.13728376886271546,-0.14803970577733874,-0.06900328587075519,-0.11513536430258281,0.10192837465565356,-0.15879004412686143,0.13680870665284894,-0.13074971226442408,0.14325386122855813,-0.061220274757712446,-6.092279156490592E-4,-0.1869209393592739,0.051688176643182815,1.4089517466936337,1.1065386613427493,1.0527353414344147,0.7148538668184631,1.1057520979127156,1.0865752925188772,1.161469608593819,0.8137788141458207,1.3409090909090926,1.1700453286325878,1.1370281765018622,0.8686050791313961,1.242947939727203,1.054360984608291,1.0541457210344634,0.748513846599972,1.340909090909091,1.1700453286325863,1.1370281765018604,0.8686050791313948,1.2429479397272012,1.0543609846082893,1.0541457210344616,0.748513846599971,1.3409090909090904,1.1700453286325874,1.1370281765018626,0.8686050791313964,1.2429479397272012,1.0543609846082893,1.0541457210344616,0.7485138465999719,1.3409090909090935,1.1700453286325871,1.1370281765018633,0.8686050791313965,1.2429479397272054,1.054360984608293,1.0541457210344654,0.748513846599972,1.3409090909090902,1.1700453286325851,1.1370281765018593,0.868605079131394,1.2429479397272023,1.0543609846082909,1.0541457210344627,0.7485138465999702,1.5227633280452213,0.7764089337072672,1.055872299223275,0.6541686706462543,1.106806822561547,1.0885680541954255,1.2914375933723823,0.775468082862999,196.39459236860282,98.1972961843014,137.018873947029,196.39459236860282,8.927026925845583,98.1972961843014,-2.8421709430404007E-14,0.5183891723946291,0.02356314419975587,-1.4454638456425957,168.3491581839345,7.652234462906113,11.277288319444736,196.39459236860282,98.1972961843014,137.018873947029,196.39459236860282,8.927026925845583,98.1972961843014,-2.8421709430404007E-14,0.5183891723946291,0.02356314419975587,-1.4454638456425957,168.3491581839345,7.652234462906113,11.277288319444736,196.39459236860282,98.1972961843014,137.018873947029,196.39459236860282,8.927026925845583,98.1972961843014,-2.8421709430404007E-14,0.5183891723946291,0.02356314419975587,-1.4454638456425957,168.3491581839345,7.652234462906113,11.277288319444736,196.39459236860282,98.1972961843014,137.018873947029,196.39459236860282,8.927026925845583,98.1972961843014,-2.8421709430404007E-14,0.5183891723946291,0.02356314419975587,-1.4454638456425957,168.3491581839345,7.652234462906113,11.277288319444736,196.39459236860282,98.1972961843014,137.018873947029,196.39459236860282,8.927026925845583,98.1972961843014,-2.8421709430404007E-14,0.5183891723946291,0.02356314419975587,-1.4454638456425957,168.3491581839345,7.652234462906113,11.277288319444736,196.39459236860282,98.1972961843014,137.018873947029,196.39459236860282,8.927026925845583,98.1972961843014,-2.8421709430404007E-14,0.5183891723946291,0.02356314419975587,-1.4454638456425957,168.3491581839345,7.652234462906113,11.277288319444736,258.18518286547476,128.4049019935245,180.88074566845893,257.74376872406054,11.715625851093662,128.4049019935245,-0.6069444444445082,0.5157128196014028,0.023441491800063764,-1.4568514831040085,309.86520474458746,14.084782033844885,12.619502234925358,0,11.849999999999987,12.1503046350951,-0.20977153191880812,0.09057809866160035,5.171297527129493,13.293543683345426,22.0,60.0,57.0,54.0,16.0,3.0,0.0,0.0,0.0,6.0,41.54186599999999,3.8531264271386103,3.540127057664368,3.4357363239376393,3.3243785260841534,3.1733877967766877,2.92453256305725,2.6191819138397165,2.599075452766196,2.05423572539178,1.8896658152603785,1.8425114352717624,1.7913747828590068,1.685995830384192,1.4645493939675267,1.2682580863298647,1.2496297225843567,3.8646541723726937,3.561521324206275,3.465050549386789,3.355738049381545,3.208240046975658,2.959221125987227,2.6458150318986853,2.6426994378098883,2.0195971120409704,1.8327190541592349,1.7888896206787872,1.723341423128065,1.612576853219917,1.3846723907541474,1.1731100720470011,1.1345406859483516,3.918047708917567,3.658353746309642,3.5921121678269494,3.4943007648444375,3.3618588239595377,3.1166719654951467,2.8423192406313107,2.7718202154797877,1.9293287243387987,1.678300941455775,1.6169907864792803,1.5220241787367932,1.3924588835271308,1.1487905362106687,0.8828225052871994,0.7986202314843532,3.8732778104806265,3.5774222725339295,3.48656348002618,3.3788884190272634,3.233960179264044,2.9850845110643984,2.6754066627922346,2.6659250192640367,1.998678380935952,1.797632459434113,1.7534082541695688,1.6798809077222732,1.5654041376951071,1.3335814333331617,1.1114201140078563,1.058262670532711,3.9459928001928066,3.707455808552138,3.652404296038932,3.561931570179879,3.43639904195246,3.195262797445417,2.941074510358951,2.838982085149649,1.9040522231040644,1.6333577062410372,1.5602626165424196,1.4591269771621567,1.3229569029520665,1.0761662153609528,0.7910249590762942,0.7385642758080648,3.938448256479407,3.5721218675962008,3.4560787349849775,3.4019560178075765,3.2398105854273136,3.015163059522316,2.8391707145098746,2.72149981096285,2.0250669503529615,1.7974215453091809,1.6696309360181172,1.6442788902794858,1.5391788418745893,1.28066537235065,1.0456245376785693,0.8785568370761789,0,0,0,5,1,5,8,2,1,0.0,0.0,0.0,0.10206207261596577,0.051031036307982884,0.0,0.0,0.0,0.032075014954979206,0.016037507477489603,1.570623545413989,0.10206207261596577,0.2165063509461097,0.051031036307982884,1.4516066095576965,0.08838834764831843,0.125,0.029462782549439483,2.397512713036683,4.85690899179463,6.56412845622129,1.9088387076410385,3.778700344175386,4.66618149423749,16.424438962994,10.498836326175137,9.057461854795582,5.878967273600438,5.246596592221448,3.9057964795273157,2.440107272621554,1.4196316174253187,0.7465654074088182,0.4772198330079608,0.3234807805284136,0.18371772730001368,0.12491896648146306,0.08490861912015904,0.05951481152735497,0.03943421159514774,15.698306133819765,9.55434821317556,8.00651104274601,4.743015975876902,4.089094116488842,2.760373410081843,1.7606306778088068,0.8834645913236754,0.7135593697190802,0.4342885551443436,0.2859468229552147,0.14821924924615318,0.09735938372592481,0.06000811761047485,0.04294221165387334,0.024540683092324315,32.29472827193156,57.868900218499725,54.78431372549012,55.440000000000055,37.17253532934137,457.7649305389222,0.5382454711988593,0.9644816703083288,0.9130718954248354,0.9240000000000009,0.6195422554890229,7.629415508982037,7.377100000000008,100.40600000000009,125.29004371215599,166.80272562736613,250.580087424312,11.390003973832364,125.29004371215599,0.056978184388132215,0.002589917472187828,-6.303190991768412,305.0722345960106,13.866919754364119,12.585206883276523,379,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,15.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,8.0,0.0,0.0,5.0,2.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.92149533714108,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6599465807711207,0.0,3.692495352020514,0.0,0.0,1.6599465807711207,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.833521051167379,0.0,10.925812863917121,0.0,0.0,11.344743925156534,1.5177739459981519,0.0,0.0,0.0,1.5767514119845472,0.0,0.3847301351095993,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5767514119845472,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.29603028943058707,0.0,0.21395476226915622,0.0,0.0,0.29603028943058707,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.297411514760225,0.0,1.322391975308642,0.0,0.0,2.153032536897526,0.7588869729990759,0.0,0.0,0.0,1.5767514119845472,0.0,0.3847301351095993,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.371828310027715,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3749406476510102,0.0,0.28597222222222224,0.0,0.0,0.3749406476510102,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3840273841017887,0.0,1.4074670886873268,0.0,0.0,2.371828310027715,0.758886972999076,0.0,0.0,0.0,1.5767514119845472,0.0,0.3847301351095993,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,37.58333333333333,1.708333333333333,0.3749406476510102,2.3840273841017887,-0.011747488347190749,0.3847301351095993,14.82506442068214,0.8652698648904007,0.3840273841017889,6.356529952647828,0.8652698648904007,0.3840273841017889,6.356529952647828,11.0,0.5,0.0,0.0,0.44667,0.7,0.43333,0.43333,0.7,0.01333,0.01333,-0.0,0.0,0.71429,0.0,0.0,0.22727,0.13636,0.04545,17.0,0.77273,11.0,0.5,6.0,0.27273,-5.0,-0.22727,0.0,0.0,30.6958,1.39526,38.07783,7.38204,0.33555,8.55793,0.389,10.49882,1.94089,0.08822,0.41518,0.01887,0.50118,0.02278,0.1,22.0,0,0,0,0,0,0,0.7272727272727273,0.9480782435939052,2.1186584729061955,3.1907591470963843,4.004574504151558,4.112432314185073,4.216458562854842,56.88469461563432,127.11950837437173,191.44554882578305,240.27447024909347,246.74593885110437,252.98751377129054,0.16050377575957722,0.3586757598797095,0.5401757651425872,0.6779496656208194,0.6962093249606591,0.7138203246881821,4.958812352014613,3.7882321227023232,2.7161314485121344,1.902316091456961,1.794458281423446,1.6904320327536766,0.15861365967929617,0.35445194135489694,0.5338145758494238,0.66996603060322,0.6880106615079008,0.7054142715113049,6.789428508607512,16.925632056147233,22.121664341024026,23.884472088996134,24.51617295920539,24.62101321659984,85.91605932950984,56.82109209210457,42.6904261601511,35.231241669115406,33.38497173765086,32.74908364379916,20.045454545454547,10.714285714285714,7.421875,16,6,11,3.88,2.970800000000003,1.6925187973291358,12.06095432520276,4.382395744126268,1.4068681330735169,21.61705574257065,10.825967379392262,5.347128990876171,0.9085602964160698,1.8898815748423097,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.21999999999999997,0.211,0.396,0.613,10.036999999999999,28.0,32.0,42.0,46.0,41.0,36.0,31.0,24.0,12.0,336.0,3.258096538021482,3.624340932976365,3.965563772356176,4.414312298171851,4.799399727137659,4.675745138657694,4.8534940358325995,4.791130946174585,4.675745138657694,3.727198318416073,6.731167254035943,2.4914434523809526,0.45454545454545453,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.0,0.5,16.0,0.7272727272727273,2,6.0,11.0,0.8333333333333334,5.0,2.000000000000001,1.5625,1.0488888888888896,0.9374999999999991,0.3885714285714288,0.27951388888888895,0.13151927437641722,0.10562500000000005,0.020610141822263034,0.22727272727272727,0.07142857142857147,0.05387931034482758,0.02996825396825399,0.02678571428571426,0.01295238095238096,0.014711257309941524,0.0093942338840298,0.009602272727272732,0.002944305974609005,0.46893902814832855,103.32862678658094,142.25688438407892,206.65725357316194,9.393511526052812,103.32862678658094,0.428547612244252,0.01947943692019327,-1.8641775533951492,211.9300755072475,9.633185250329431,11.783764053055108,0.0,357.90228566666883,5.459431618637297,4.61512051684126,5.3981627015177525,6.259581464064923,7.087573705557973,7.969357742016346,8.817742129574842,9.707898368741269,10.566098203034423,11.459809457818992,115.88134428916779,3.8066624897703196,0.0,5.056245805348308,0.0,6.505784060128229,0.0,8.07246736935477,0.0,9.713839220355712,9.934937768809375,302.29735121600106,5.038289186933351,43.015647628104276,1.9552567103683762,0.0,0.0,0.0,1085.0,29.0,10.559999999999999,100.0,1.2444050623493506,2.1613440923980707,2.940343913279788,3.608740497559813,4.406491582081231,5.032918336405366,5.730525084372286,6.618086533440677,7.654527509981373,8.67207777758566,86.49766695907923,101.63889276071451,105.72201919258765,128.6520528881175,157.7600867755866,135.784279843513,119.28267965816234,117.0647196432117,163.3718056798011,151.14292215182786,309.67613364923335,403.06283812058746,456.6577132901569,534.9406010805441,695.6432083966575,649.6321182319318,649.931509977602,638.9470357715833,856.9179416111114,869.8533127525207,9.085788235526282,15.49124936010311,20.87208143954523,25.468636612436487,31.35842595907367,35.41501783335416,40.16537547965451,45.92139559671216,53.5335118019821,60.40488396293518,2.2912384081951034,3.1689805241518307,3.75553102421009,4.385276549507022,5.737289387254859,5.613399709066514,5.877658160144055,5.94647215648334,7.713180670986255,8.109959280666326,176.31595267908148,326.80809439477844,459.08923171544336,575.4272412734658,681.5479121523701,808.371916849831,931.1535455265912,1111.9307714666857,1253.5691908248245,1438.0748760113377,2.6725538559096926,3.9076775385481444,4.943906809744755,5.777426244910001,7.849308413991596,8.432696304139348,9.289834182797556,9.498003796044705,11.96467727224668,13.609662066195293,0.4729700975715093,0.6621965842508838,0.791521440057579,0.9248275476918086,1.2091748599340848,1.1939238038928717,1.2594020554423024,1.2827857002830507,1.6525387933045588,1.747906734369468,528.2745126643915,605.5673749250834,16.655139875379177,98.62297097659315,-113.05268796783623,-6.058723289274922,429.6515416877984,718.6200628929197,22.7138631646541,0.8426808632189802,0.9659751246854313,0.026567565367541558,0.15731913678101972,-0.1803368029350392,-0.009664615742411667,331.1739626609746,379.62866351561155,10.441065277563832,61.82649233442412,-70.87244560588597,-3.7981983841234785,0.05412708316251592,0.0569446042968689,0.6453996491003704,0.5462034589723608,626.8974836409848,0.0,1.0,0.0,1471.8630535986292,38.364867438825186,11.375115139128077,1841.031986174587,42.9072486437267,12.256141829031364,3375.857351650149,58.10212863269425,15.001270043055818,1.8737467417425613,1.8737467417425613,4014.34412017114,3733.172594177865,1219.325974917525,1.0753170443905489,3.2922649092607656,3.061669045827041,7.399541490693587,7.410868665048408,13.843703808523962,0.8680271415164169,11.0685821498035,19.926421906262558,13.07526788638133,67.96192721773434,31.143660779047632,38.17705572361109,42.93422944688003,52.37048961242455,53.957231885831526,37.50136611353953,40.67525523117493,46.04699831070675,32.03004519966811,27.50714807388712,20.7157549326132,17.63920219559779,14.680019585307763,14.043402677781119,10.18543002671458,9.164065327273265,6.142293261051284,7.763858936534363,1.8664263264248673,1.8606655236912468,0.4508935532464288,0.5197573374790745,0.16726374543118216,3.384922914959585E-19,1.34127520629569E-58,1.0398227722388655E-119,0.9242565475470511,16.212617889800086,0.7538352392106692,25.776976961737816,3.873448554543811,8.0406097815887,6.869892432262018,6.57384248586571,10.540712674652296,4.715999041678484,10.506515241091662,5.024092390655664,6.435893908738118,5.934761208464495,2.8130592060027957,1.2844651059400796,3.888656199288084,1.7925102062602638,0.9224924418180404,0.569961266717367,0.5266161701055128,0.9548685095472607,0.47406950484937066,0.10480047325001449,0.028514039214999103,0.0036658158425110186,0.001178052235439668,2.3840288859247934E-21,9.446710947690341E-61,7.323556806283877E-122,2.9864843304650766,16.601097339023458,2.659153912481784,30.600177626004296,6.4804526626001815,12.06497579570808,12.191963451799333,13.64518533998024,16.734826577988816,9.580106983366479,14.625901028611647,10.013340809333595,9.84929751678506,8.967924797116892,5.27991967021911,3.5662660696076194,5.287024658717908,3.643554001678177,1.9667622341245552,1.6180194624180049,1.4057615372003884,1.7690590089286622,0.7480915318750867,0.3717178983970335,0.0981921805893529,0.03816040838685683,0.012276212576329075,2.484341908726899E-20,9.844201152735808E-60,7.631710841345533E-121,10.44456612327918,19.56831780324072,12.105249818471975,64.03945073948046,28.427250480615914,35.57961770402972,40.00491414432419,48.76142032816665,50.355410059470024,34.847553717198494,38.107123044166286,42.3383163521691,29.822550222248694,25.701763392682864,19.19968021900464,16.264204679528593,13.734817452533992,13.063596177088302,9.318898355037796,8.388116755436297,5.704002355971986,7.14336458342974,1.777583174304637,1.7208058615152657,0.4191850007383939,0.4630979573080463,0.14902898583923993,3.0159053766255564E-19,1.1950520611043285E-58,9.264633695713951E-120,4.404646649857096,16.977514370458604,4.148142376349642,35.03578448568996,9.148794565524616,15.45916437245373,16.45094705663426,19.17544854512479,21.77911261985183,13.461960707850103,18.05906163594601,14.443202228268097,12.730188250351256,11.456943335489848,7.325923915489224,5.44636232860233,6.4857975053746255,5.10712451011133,2.9349620768027522,2.547158511257249,2.0885848996475707,2.4989034856019314,0.9392239972393357,0.5821142310779425,0.15093466985720214,0.08287690117527037,0.026665574144674086,5.3963225999861075E-20,2.1382920351144483E-59,1.6577095747185704E-120,13.382424912131844,21.400774389319018,16.91172931344834,84.00649793044686,42.39003564366107,48.64861408657887,54.59935463158486,66.64775553667648,68.36487724177051,48.061536050880235,51.00278795882799,61.13801011001406,40.93080339464453,34.74205922919486,26.806071616376748,23.154589401710815,18.502777103057124,17.93212353639199,13.733822559259872,12.32070965655695,7.872388466513686,10.29250274181536,2.199464675372565,2.415253042200585,0.5749391737991564,0.7580005211994422,0.2439384530014999,4.936591951088972E-19,1.956123833228728E-58,1.5164837891307472E-119,6.672265541141085,14.53132793494886,6.3617609842952065,39.49040720988586,13.580483399540652,20.551742037717148,23.175074219529748,27.733855922798185,29.559941624097004,20.161229051775138,25.772365017516343,22.13122304797845,18.93550777259525,15.100683532714243,11.497711027549267,8.783685919861687,8.828767466710032,7.4180075762951105,5.122777718625125,4.426685192376728,3.561279044863576,4.188855162064789,1.4805113864649393,1.0453523094589294,0.26743287173762426,0.17811933643091446,0.05731345471050622,1.1598546097660447E-19,4.595922182191063E-59,3.562985822781599E-120,11.621007352136784,3.1567308648203287,2.250134151351811,0.6824697238020755,0.1853861008904092,0.3794266657986829,0.3475409463104782,0.3326616713609238,17.027872368308923,69.93628603050617,169.5089629844581,0.5237045857031132,1.059629283470085,10.98005552584577,2.5030556788663105,1.5570231578540916,0.730050361330172,0.16642508760402025,0.3399545009727947,0.23183635966922314,0.16477493163780096,15.040134362566173,48.477206723894355,106.31008340638422,0.595075541995258,0.7365657922798189,11.208199113717674,2.7591854962271083,1.8265688291459066,0.7096512698319672,0.17469884958619733,0.3528486021368625,0.2770650795745661,0.22451917324897092,15.79395343909069,56.43788978661273,128.71939834308156,0.564476904747951,0.8544328549603994,11.602293841015811,3.1400923955288835,2.2325180307426056,0.6834968644491762,0.18498439496829577,0.378137918782001,0.34454905873385205,0.32787281596047146,16.9749042672873,69.344917750123,167.65553209875915,0.5252452966737644,1.0505597934763244,11.320562323691085,2.87457297151909,1.9494714176321466,0.7011977761394508,0.17805159473054827,0.3596866608936703,0.29746130675230076,0.25426198271558914,16.14460671284232,60.214793005513236,139.79867453817462,0.5517966642091762,0.9114099503615603,11.68064360999355,3.2090565453030884,2.3053395882935117,0.679303088807793,0.1866268757243983,0.38358425838499866,0.35702089278356214,0.34780651717870736,17.19503974359015,71.80966105582789,175.41769451281345,0.5189546332116894,1.088411668347268,11.63443751477234,3.153433898712181,2.239776458619985,0.6832674484555452,0.18519492077812372,0.3802036241274557,0.3476635419993696,0.33018722519992094,17.027647872104506,69.80995591655387,169.01148482589474,0.5249011726833179,1.0580543913267462 +UMLCN0342,L,5-butyl-5-phenyltetradecane,C1(=CC=CC=C1)C(CCCC)(CCCC)CCCCCCCCC,Aromatics,,C24H42,NREL (2014),Unknown,UML,,58,0,-1.9889000000000001,3.9557232100000004,96.67609999999999,70.24530599999994,6,6,66,24,42,0,24,0,0,0,0,0.0,0.0,0.0,0.0,0.0,3505.013591999997,3970.8366000000065,4970.796460000012,5544.136279000022,5990.056665000019,6434.030603000023,6056.783911000022,5092.481713000037,3980.6909710000036,11469.922908083014,14983.34352954571,21178.645598681524,24703.690245423615,27042.300061739024,29577.010705993198,29905.231427509756,26900.60623078903,21940.437515158956,463.14787199999955,479.91292800000053,899.4815200000005,1267.9380760000017,1375.5483240000012,1543.2255800000014,1667.2564120000013,1698.6432040000022,1484.173612000003,85.60734200365776,113.70246101999987,171.83112006152726,208.22452945003477,228.2784054800349,251.66486624852513,260.9936526376193,242.9062934442973,202.123555624901,10809.60593117846,9474.2115501018,19287.539045545174,28844.361532560986,31088.5433650087,35028.77916998599,38081.06842117788,39857.26515204231,35294.37745314729,109.84027777777777,134.125,215.875,278.0416666666667,305.29166666666663,345.5416666666667,377.4583333333333,370.95833333333337,314.70833333333337,53.1062665454545,60.164190909091005,39.450765555555655,30.80075710555568,30.718239307692407,29.379135173516087,25.55605025738406,20.95671486831291,18.688690004694852,173.78671072853052,227.02035650826832,168.0844888784248,137.24272358568675,138.67846185507193,135.05484340636164,126.18241108653905,110.70208325427585,103.00674889745989,7.017391999999993,7.271408000000008,7.138742222222226,7.044100422222232,7.054093969230776,7.046692146118728,7.034837181434605,6.990301251028816,6.967951230046962,1.29708093944936,1.722764560909089,1.3637390481073592,1.1568029413890821,1.1706584896412047,1.1491546404042243,1.1012390406650603,0.9996143763139806,0.9489368808680798,163.78190804815847,143.54865985002726,153.07570671067597,160.24645295867214,159.4284275128651,159.94876333326934,160.67961359146784,164.02166729235518,165.70130259693562,1.664246632996633,2.0321969696969697,1.7132936507936507,1.544675925925926,1.5655982905982904,1.5778158295281584,1.5926511954992968,1.5265775034293554,1.4775039123630676,0.11376252102993664,-0.009586860423597523,-0.040610890955717724,0.0038855094012682635,-0.0024619477800476366,0.010213636088467537,-0.022405940503154177,-0.015265902031846797,-0.0021524872958107654,1849.0081374545446,5.6843418860808015E-12,-360.19639041321716,251.13692776033292,-15.008182933881137,-93.05073419008063,-641.3496840413229,-303.1652952644672,-101.05509842149215,3438.3095870717657,-2.084732386720134E-11,-669.8005689101033,466.9998411011905,-27.908357037927313,-173.03181363510964,-1192.617124087119,-563.7488121659721,-187.91627072197792,0.36220799999999986,-2.0723006644018938E-14,-0.0705600000000193,0.04919599999999305,-0.002940000000009789,-0.018228000000008952,-0.12563600000000563,-0.059387999999992676,-0.01979599999998803,15.370843623148373,2.353672812205332E-14,-2.994320186327574,2.0877065743562087,-0.12476334109695494,-0.7735327148012614,-5.331553442877707,-2.5202194901590236,-0.840073163386327,83.49466651449364,-1.4512835377900046E-12,-16.265194775552082,11.340455246286298,-0.6777164489819038,-4.201841983684451,-28.961082919800486,-13.689872269421393,-4.563290756473061,8.168455387205393,-0.023884680134680925,-0.12473217018671678,1.4600837924701537,-0.8286223982246747,0.2683702555861582,-1.8340746479950913,-1.5735049357208268,-1.021555517294143,0.0017236745610596461,-1.4525546096359884E-4,-3.223086583787121E-4,2.158616334037924E-5,-1.262537323101352E-5,4.663760770989743E-5,-9.45398333466421E-5,-6.282264210636542E-5,-1.0105574158735988E-5,28.015274809917344,8.612639221334548E-14,-2.858701511216009,1.3952051542240718,-0.07696504068656994,-0.42488919721498003,-2.7061168103009408,-1.2475938076727044,-0.47443708179104294,52.09559980411766,-3.1586854344244453E-13,-5.315877531032566,2.5944435616732804,-0.14311977968167852,-0.7900996056397701,-5.032139764080671,-2.3199539595307495,-0.8822360127792391,0.005487999999999998,-3.139849491518021E-16,-5.600000000001531E-4,2.7331111111107253E-4,-1.5076923076973276E-5,-8.323287671236965E-5,-5.30109704641374E-4,-2.4439506172836494E-4,-9.293896713609404E-5,0.2328915700477026,3.566170927583836E-16,-0.023764445923234713,0.011598369857534492,-6.3981200562541E-4,-0.003532112852973796,-0.022496006088091592,-0.010371273622053595,-0.0039440054619076384,1.2650707047650551,-2.1989144511969767E-14,-0.12908884742501653,0.06300252914603499,-0.003475468969137968,-0.01918649307618471,-0.12219866210886281,-0.0563369229194296,-0.021423900265131742,0.12376447556371807,-3.61889092949711E-4,-9.899378586247364E-4,0.008111576624834187,-0.004249345631921408,0.001225434957014421,-0.007738711594915997,-0.006475328953583649,-0.004796035292460765,-0.08427081552697605,-0.18698927608502247,0.012523340442588496,-0.007324685016672721,0.02705708418718351,-0.054847843950613734,-0.03644692770063542,-0.005862808668779961,3.0742654783046044E-15,-0.10204081632652895,0.049801587301587784,-0.0027472527472521702,-0.01516634050880594,-0.09659433393610622,-0.04453262786596186,-0.016934942991281787,-6.063248040719902E-15,-0.10204081632653351,0.04980158730158654,-0.0027472527472534496,-0.015166340508806662,-0.09659433393610582,-0.04453262786595998,-0.016934942991279404,-5.721300093873947E-14,-0.10204081632655855,0.04980158730158029,-0.0027472527472618955,-0.015166340508813715,-0.09659433393611044,-0.04453262786595573,-0.016934942991270786,1.5312580557782258E-15,-0.10204081632652955,0.049801587301587714,-0.0027472527472521178,-0.015166340508805545,-0.09659433393610507,-0.04453262786596042,-0.016934942991280438,-1.7381751414482023E-14,-0.10204081632653923,0.04980158730158534,-0.0027472527472552776,-0.015166340508808133,-0.09659433393610767,-0.044532627865959726,-0.016934942991277725,-0.0029240142722812123,-0.007998562221637529,0.06554042739556616,-0.03433413031135662,0.009901346500543496,-0.06252772905688798,-0.052319770467980004,-0.038751307841898515,1.3982281791527995,1.2254428900844092,0.8891015819453354,0.9344382284261915,0.9576201521490207,1.107258495760645,1.064325518127014,1.0141972012825138,1.3541666666666685,1.2666524943310673,0.9812334656084669,1.047619047619049,1.0494129158512735,1.1133715089411307,0.9983098177542635,0.9391068634026394,1.3541666666666654,1.2666524943310644,0.9812334656084645,1.0476190476190463,1.0494129158512706,1.1133715089411278,0.998309817754261,0.9391068634026369,1.354166666666665,1.2666524943310666,0.9812334656084665,1.047619047619048,1.0494129158512715,1.1133715089411278,0.9983098177542613,0.9391068634026384,1.354166666666665,1.2666524943310642,0.9812334656084648,1.0476190476190474,1.0494129158512722,1.1133715089411298,0.9983098177542625,0.9391068634026377,1.3541666666666672,1.2666524943310657,0.9812334656084656,1.047619047619048,1.0494129158512733,1.113371508941132,0.998309817754264,0.939106863402638,1.346334677263534,0.9751636668991395,0.7750215758762378,0.9272345523166688,0.9318502282163932,1.1125447924647724,1.1069056639239416,1.0386546087287183,254.5480621238715,127.2740310619357,184.0355678176414,254.54806212387143,10.606169255161308,127.2740310619357,-9.947598300641403E-14,0.5344375417340647,0.022268230905586026,-1.503696981543036,187.32788896698642,7.805328706957767,12.558865196038685,254.5480621238715,127.2740310619357,184.0355678176414,254.54806212387143,10.606169255161308,127.2740310619357,-9.947598300641403E-14,0.5344375417340647,0.022268230905586026,-1.503696981543036,187.32788896698642,7.805328706957767,12.558865196038685,254.5480621238715,127.2740310619357,184.0355678176414,254.54806212387143,10.606169255161308,127.2740310619357,-9.947598300641403E-14,0.5344375417340647,0.022268230905586026,-1.503696981543036,187.32788896698642,7.805328706957767,12.558865196038685,254.5480621238715,127.2740310619357,184.0355678176414,254.54806212387143,10.606169255161308,127.2740310619357,-9.947598300641403E-14,0.5344375417340647,0.022268230905586026,-1.503696981543036,187.32788896698642,7.805328706957767,12.558865196038685,254.5480621238715,127.2740310619357,184.0355678176414,254.54806212387143,10.606169255161308,127.2740310619357,-9.947598300641403E-14,0.5344375417340647,0.022268230905586026,-1.503696981543036,187.32788896698642,7.805328706957767,12.558865196038685,254.5480621238715,127.2740310619357,184.0355678176414,254.54806212387143,10.606169255161308,127.2740310619357,-9.947598300641403E-14,0.5344375417340647,0.022268230905586026,-1.503696981543036,187.32788896698642,7.805328706957767,12.558865196038685,314.2601152989227,156.45438827619722,228.5316019172301,313.8818166878115,13.078409028658818,156.45438827619722,-0.5043981481481978,0.5360105239672105,0.022333771831967105,-1.4966435612085627,176.81649759751656,7.36735406656319,12.420269899328108,0,11.890000000000002,12.110491665894921,-0.17069338776509652,0.05006507605138634,5.127980042483682,12.99390550672245,24.0,66.0,63.0,60.0,18.0,3.0,0.0,0.0,0.0,6.0,45.91469399999999,3.84806409106977,3.5331467584013607,3.463545506778915,3.293101695484406,3.27694828056371,3.0799269862438705,2.867608455432891,2.619181913839727,2.0495232950884676,1.91456983680823,1.8405079565496003,1.788607437769151,1.7653287684569179,1.6000393724634465,1.4669843891378946,1.3202820951383305,3.8595900697708903,3.5569383403425237,3.490656726615884,3.3273669544944053,3.3105864555031754,3.1149385875686204,2.9084130275318434,2.6458150318986795,2.0147215616574368,1.8562970953413163,1.7881164136665164,1.7181003808411104,1.695664028978929,1.5251028210762019,1.3820800252565746,1.2206852820188459,3.9129904246830076,3.6656735166061445,3.606644854326975,3.4768696526685092,3.457628094179406,3.270041021614977,3.0889558179888725,2.8629811409496,1.9242776315526147,1.6881197294326897,1.6291767637206807,1.5064320677109402,1.4867537176984487,1.3010672640694525,1.1249219491897717,0.9081829248737046,3.8682129611541463,3.5746919162384705,3.5104600590769643,3.352557551582271,3.3353313862841083,3.140821486178832,2.938586598958591,2.6694946847050365,1.993735247471621,1.8193765769595656,1.7543550982372886,1.6728124380723266,1.6509245443720078,1.4769952637750623,1.3272748450949885,1.155529416129223,3.9409553607319676,3.7207889406734664,3.6612818415434285,3.548797435838003,3.528518945191702,3.3456809834189962,3.176506065314377,2.9723286878770505,1.8989900373585684,1.6375133278058145,1.5777575625285984,1.4392008584773301,1.4205386961293403,1.2306541537362656,1.0432043579999355,0.8048937202744897,3.965964096501055,3.568561510501165,3.49675434111021,3.3780680497833497,3.3411376203989733,3.179338315409641,2.9778293083169176,2.868343924539481,1.9955300992725238,1.8161572938043198,1.6462161086533178,1.6332972921278908,1.627068715515346,1.4180473501469657,1.2567125915424378,1.0466641520891828,0,0,0,5,1,3,14,0,1,0.0,0.0,0.0,0.10206207261596577,0.051031036307982884,0.0,0.0,0.0,0.032075014954979206,0.016037507477489603,0.7541269644862627,0.10206207261596577,0.2165063509461097,0.051031036307982884,0.6351100286299702,0.08838834764831843,0.125,0.029462782549439483,2.110055234471418,3.705756566432854,4.679248516682178,1.6113445279437049,2.657222072766935,3.0760831698916506,17.51237911173403,11.787152230862004,8.77573342647011,6.8058602506487516,5.194179938034909,4.179312861681996,2.6177190555683296,1.744312721609452,0.7296824629889179,0.4911313429525835,0.31341905094536104,0.20017236031319857,0.12985449845087274,0.09085462742786948,0.06232664418019832,0.0436078180402363,16.786246282559798,10.842664117862425,7.724782614420541,5.6628119334939875,4.050544159762943,3.0948645277933995,1.9468575963414854,1.205483185283117,0.6994269284399915,0.451777671577601,0.2758850933721622,0.16655329216158787,0.10126360399407357,0.06727966364768259,0.04635375229384489,0.030137079632077922,35.37838387950334,63.64457392571023,60.235294117646966,60.96000000000007,40.769644311377306,503.82144071856294,0.5360361193864143,0.9643117261471248,0.9126559714794995,0.9236363636363647,0.6177218835057168,7.633658192705499,8.445500000000006,109.7800000000001,154.34923271690786,212.3646446668248,308.69846543381567,12.862436059742318,154.34923271690786,0.16189779740190297,0.006745741558412624,-4.369896055376626,201.5676158932309,8.398650662217955,12.734699730824916,499,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,17.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,14.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.053807985172801,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.656948963166756,0.0,4.093947974216247,0.0,0.0,1.656948963166756,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.974488011283404,0.0,19.447201491890983,0.0,0.0,11.444657073137238,0.0,0.0,0.0,0.0,1.6091509120355623,0.0,0.4411691783194759,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6091509120355623,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.29591286987323245,0.0,0.20977242801044002,0.0,0.0,0.29591286987323245,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.301264753537585,0.0,1.3171888124085926,0.0,0.0,2.1682856179129697,0.0,0.0,0.0,0.0,1.6091509120355623,0.0,0.4411691783194759,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.395404985877118,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.37382550799992736,0.0,0.28597222222222224,0.0,0.0,0.37382550799992736,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3366116288729093,0.0,1.440572404887881,0.0,0.0,2.395404985877118,0.0,0.0,0.0,0.0,1.6091509120355623,0.0,0.4411691783194759,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,39.91666666666667,1.6631944444444446,0.37382550799992736,2.395404985877118,-0.010202492938559016,0.4411691783194759,16.2383990359293,0.8088308216805241,0.3954049858771179,4.838290168841284,0.8088308216805241,0.3954049858771179,4.838290168841284,12.0,0.5,0.0,0.0,0.44545,0.7,0.43333,0.43333,0.7,0.01212,0.01212,-0.0,0.0,0.71429,0.0,0.0,0.125,0.04167,0.04167,18.0,0.75,12.0,0.5,6.0,0.25,-6.0,-0.25,0.0,0.0,32.92358,1.37182,40.3329,7.40932,0.30872,9.84626,0.41026,11.78715,1.94089,0.08087,0.12685,0.00529,0.21285,0.00887,0.09090909090909091,24.0,0,0,0,0,0,0,0.75,0.9456603046006402,1.8924712119627767,2.7146296752117203,3.581236164354082,4.018291476738886,4.4064287203306645,62.41358010364225,124.90309998954326,179.16555856397355,236.3615868473694,265.2072374647665,290.82429554182386,0.15645245593300455,0.31309527052541736,0.4491152664114908,0.5924888572180318,0.6647964043028657,0.7290108211537931,5.098733814757813,4.151922907395677,3.329764444146733,2.4631579550043714,2.026102642619567,1.637965399027789,0.15480993999317005,0.3098082401655679,0.44440023027156744,0.586268613589695,0.6578170399694627,0.7213573018343541,6.78663383797895,14.464667591663577,19.39832832985162,22.396018392820157,24.61106741131663,25.60342062408693,93.84937828450117,71.79644816670675,54.872956660652385,44.51351930192076,36.87560231655706,32.276414532315954,22.041666666666668,14.198979591836734,8.792387543252595,18,6,14,4.1,3.2525999999999957,0.27130784858316437,9.143325202985013,0.4762203155904598,0.5723571212766659,38.923200808850964,6.082051414804042,6.931849102280447,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.184,0.17099999999999999,0.4740000000000001,0.643,11.491,28.0,34.0,40.0,46.0,42.0,40.0,34.0,28.0,23.0,363.0,3.332204510175204,3.624340932976365,4.00277736869661,4.389808775115936,4.782793222000492,4.6569321205466805,4.8495858725778405,4.759499421301942,4.616975231437854,4.381245079339061,6.764029239947545,2.3832644628099175,0.46153846153846156,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,0.625,18.0,0.75,2,7.0,13.0,0.8571428571428571,3.0,2.0000000000000004,1.0625,0.488888888888889,0.43750000000000006,0.3036734693877552,0.22395833333333334,0.12295288485764674,0.06562500000000002,0.053667993061932456,0.125,0.07142857142857144,0.034274193548387094,0.014814814814814817,0.012500000000000002,0.009795918367346942,0.008958333333333334,0.0064712044661919335,0.004375000000000001,0.003833428075852318,0.3032391156473243,132.39122871329317,189.19431315203587,264.78245742658635,11.03260239277443,132.39122871329317,0.4657416833246656,0.019405903471861066,-1.8338979028375826,181.7598773667937,7.573328223616404,12.486447506001651,0.0,392.4942549184028,5.584962500721157,4.653960350157523,5.43372200355424,6.251903883165888,7.077498053569231,7.923348211930154,8.77043908654689,9.6302999262348,10.48829756939169,11.355651579676989,119.5851206642274,3.8918202981106265,0.0,5.081404364984463,0.0,6.493753839851686,0.0,8.033009498596668,0.0,9.651751606857816,9.879246088163093,330.3286513440012,5.0049795658182,47.35985966502774,1.9733274860428225,0.0,0.0,0.0,1512.0,31.0,11.820000000000006,104.0,1.2448833900145606,2.161817596347633,2.9180023897859346,3.6510730168169987,4.561521808361174,5.419542375659849,6.262542582783162,7.118954677386593,8.095315553556963,9.020967818332238,86.10892857404176,94.46274467452537,101.97579486664276,132.19321274279582,153.44188637596054,156.30758752586695,148.21122796550696,150.77604179665656,167.27865566905896,208.22371307615398,308.8092108752121,388.3927120641308,432.5157853461805,564.0408194564415,672.1708440144995,737.4626841983035,744.7130331601546,790.204860830663,874.938517421045,1027.1172641462065,9.087930356539047,15.484587081179388,20.617176076877513,25.887762945534334,32.27333965912159,38.258219161347526,43.90561381322756,49.758734826438264,56.48229963900641,63.017831461636014,2.2867695933307006,3.097273864773961,3.563449590474595,4.627891478926266,5.586293221363099,6.303825857125493,6.5831179549095555,7.1218209225503575,7.91858170952848,9.111207493591852,176.46779320928576,327.25799267599433,463.25636386832673,572.5096445728753,720.2455034263832,861.108921457173,1017.7713181541806,1168.1585771763578,1336.3175232141523,1484.1776525653677,2.597339363958306,3.800404489914326,4.6261007505541185,5.952336860532916,7.4492708847931,8.907020779703778,9.828919930087608,10.83445915589516,11.95568873551968,13.391246748200379,0.47212213415591714,0.6487199475126418,0.7519146795970809,0.9752419755410584,1.1799869689602251,1.337731565627375,1.405968761738122,1.5263477918109116,1.6989133888143073,1.948632967361332,632.1817733840168,798.1843493596442,19.603063943278766,99.1261493999431,-125.15536574202808,-6.045261106269043,533.0556239840737,923.3397151016723,25.648325049547807,0.8644536093324583,1.0914476986945494,0.026805485531530098,0.1355463906675418,-0.1711390808752403,-0.008266368950654608,462.31953951534535,583.7185385288678,14.335875972560336,72.49173841124487,-91.52711054606932,-4.420947342312277,0.04914238065887079,0.051700429764812476,0.422893615509302,0.49590218277187836,731.3079227839598,0.0,1.0,0.0,1596.0261918909298,39.95029651818532,11.686380021022103,2003.9432687940403,44.765424925873766,12.60748540856202,3414.388681352911,58.432770611643186,15.058128052994403,1.6047888168991076,1.4644539462633939,6564.128912108994,6321.669978992499,1703.4641701835699,1.0383536207872617,3.853400046213843,3.711067182769837,8.868913729766332,8.325409267550626,16.293560920257043,0.9570882819855275,12.591390948420164,19.032019749822055,11.204184592744697,76.89963770972612,36.12939059729499,20.746740786676273,33.1940997912019,51.80145271747097,55.38637053857518,31.596460730038306,41.387317580680126,56.16960552951338,31.454267817543418,51.41448820877012,30.719096152344683,22.97253575910045,30.41660818898317,18.990109693856017,24.836714255075176,14.482142744828785,18.369760097852414,12.3989662748602,13.174856807993095,7.1375249043180675,11.084366041940246,7.370984892856287,5.093385423922519,2.6933291418634244,2.2123984416181073,0.4557946386618499,1.0207490590657486,18.00414423818119,0.7068122666790939,24.200754510687847,2.6547517378942262,4.341332073958854,6.063488288345201,7.24584859242267,13.941931424349937,3.312613977504165,9.149707079544761,7.804537593512325,4.11741341469374,8.377161059091357,5.223511764032666,1.55939778885302,5.38495794321001,2.958267749093807,5.186367464900464,2.6086283693014605,1.9589746880456886,2.863771984312994,1.981593054812919,0.8708851560547047,1.3105614667715584,0.8580488947406838,0.6404085143429586,0.37152912994725457,0.1392373176937685,0.018870088163972846,3.3186025194004944,18.072834230675017,2.4348798256914503,28.95473847532986,5.468288664506909,6.634302188518997,10.445219035853187,13.509729138149906,19.573970263868524,7.408846030301423,13.711265457211272,14.74706457902706,7.330416041842298,14.73125951977449,8.445811956194495,4.366175947102928,8.742844407198737,5.169316340933104,8.032551487217306,4.483782881314578,4.0525281356770275,4.275675324828164,3.5789128718974603,1.7743675581427336,2.705432429807395,1.6898036110000636,1.3387358176059008,0.7524302577869451,0.4799993715689682,0.07368603181224741,11.860417179824097,18.919169901772825,10.414846496447469,71.5497938072331,32.65818412387434,19.368933398882767,31.124156002749558,48.072323183915415,51.84884109218001,29.271640038163422,38.69956068305691,52.17225941413981,28.943347612146084,47.91985946032782,28.457146962189526,21.108312094546964,28.264527962033,17.633166439654,23.221641443144293,13.561219619546433,16.92068828298731,11.626163786664398,12.246411250112432,6.620985269126035,10.273700138743834,6.796206911103661,4.746266912165531,2.5182800712414193,2.0563255433396375,0.4168875793312598,4.914998294907942,18.161889596180117,3.7442681160610993,34.00060893036675,8.59312193166254,8.52182046522534,13.796441163887824,18.650230114497656,24.279777591972522,10.718747830445274,17.442063273919985,20.382814277113695,10.238862464336707,19.81488520425477,11.24628481832319,6.757354772812209,11.568016574921913,7.002281179619471,10.332241811771762,5.933873596796642,5.862689928630958,5.403586954755537,4.879545127239536,2.506124806552837,3.8411707871660803,2.4085469713951015,1.8806531215397562,1.0415288066323398,0.7383923592414864,0.1215205257415618,15.323549470277365,19.50653694749697,14.293311119521547,99.11895362884783,50.59618126421001,26.27219990197946,41.32258960736545,66.74583187491835,69.62005006857137,40.87787731515171,52.149784663367825,72.14681430551012,41.70185450056517,65.3298937574264,39.89015383138277,30.503177807331593,39.08837060864334,24.44059524494552,31.284502194774834,18.112218830643005,24.23962098136989,15.474974844226264,16.88861038496314,9.200937145358703,14.326971081980815,9.699032759224233,6.463210060413771,3.378824049604393,2.8233699697928616,0.6136554297653364,7.522634550579827,15.809679103475379,5.996591937534509,41.1961062199665,15.102393052218032,12.239985443353156,18.702471194305016,27.93827230795341,31.770822547539304,16.568107156042487,24.775955498610884,30.484635282729236,16.736571450880167,28.69517819937771,17.241069895776405,11.340817881357422,16.763811085723447,10.554403779496248,13.552586742197725,8.374523796488845,9.494692764929413,7.986152483556166,7.431619153555954,4.000620980224706,6.592247266370576,4.217283283728117,3.2286458436811665,1.7567721174689477,1.3810837929542603,0.23840775769713804,18.006128003300695,3.686018476735264,2.9274450224540693,0.7313739548229122,0.1497189129381964,0.4113028031574861,0.2915215885713656,0.3074215434582572,24.619591502490028,129.87348675395245,348.79029915268086,0.5970609322343683,1.010245935187109,17.148245049523506,2.9718888201056357,2.2245871003732964,0.7674405544175222,0.133001831801586,0.3731501046488009,0.16731095502329665,0.152104504647612,22.344720970002438,95.72166801127156,231.43730449797778,0.6511608316262834,0.6925655643197095,17.459847751105777,3.242521439792454,2.508617236609214,0.7522234268516064,0.13969770091070868,0.38615666026621087,0.20590019339810586,0.20298989967108894,23.210986427507446,108.54825085940737,273.78191959404404,0.6283351402774097,0.7950467533354056,17.98179000713995,3.666736821262015,2.9108354558838276,0.7321765850021899,0.14930097853591914,0.4101231413013126,0.28710009427490085,0.30255899322848845,24.55936228428579,128.94979099114613,345.4336089906489,0.5982648775032847,0.9997822288047019,17.610612530832935,3.367799199645504,2.6340496588591877,0.7458185845371094,0.14262804474785748,0.39281014205496,0.22685941072510715,0.23019470585071,23.612461389337625,114.56718504868054,294.40251553155554,0.618727876805664,0.8498642586307772,18.083444555729645,3.7470921213711876,2.9789991727442993,0.728890885552078,0.1510343500196751,0.4150854656232697,0.30595789298478054,0.3228100805969292,24.809535849845133,132.7934833236747,359.4609939994176,0.593336328328117,1.0438534392049794,18.029711062305033,3.6811634879343633,2.9223872725375326,0.7319254425994863,0.14943873508991032,0.41227020603779957,0.2883666039798172,0.3038488790983678,24.63326182277693,129.8178975218422,348.410920429529,0.5978881638992295,1.0044856891159846 +UMLCN0343,L,"1,2,4-trimethyl-5-hexadecyl benzene",C1(=C(C=C(C=C1C)C)CCCCCCCCCCCCCCCC)C,Aromatics,,C25H44,NREL (2014),Unknown,UML,,42,0,-1.3713000000000033,1.8804636900000091,94.1082,73.33889199999993,6,6,69,25,44,0,25,0,0,0,0,0.0,0.0,0.0,0.0,0.0,3651.309840999997,4139.314897000006,5131.231925000012,5324.186309000022,4852.1150410000255,4245.849741000037,3794.9347150000017,3522.4872660000015,3316.585961000002,11955.607298694205,15636.333664036076,21841.23409452509,24420.741162424347,23893.236441838617,22072.545196746243,19836.784975076822,18048.315698605842,16761.76365377241,484.1253159999995,501.68870800000053,941.0135240000006,1268.6889800000015,1349.2156840000016,1344.7299720000021,1277.0313400000027,1151.2852560000028,1027.9341800000025,89.28546781335575,118.71844963999986,177.51201599092332,207.54954369063876,208.85920140943085,197.4752588133738,179.4201288073167,162.3834953733735,149.36045037033617,11306.235591316956,9907.251001617597,20307.12655744506,28769.837498561403,30966.981672098584,31294.86016876961,30191.97935277876,27239.53595539005,24096.321932133247,112.86111111111111,138.88888888888889,225.75,287.77777777777777,296.58333333333337,285.8333333333333,262.5833333333333,235.33333333333331,214.08333333333331,52.91753392753619,59.990070971014575,38.87296912878797,29.578812827777902,25.271432505208466,22.113800734375193,20.737348169398917,21.34840767272728,22.561809258503416,173.2696709955682,226.61353136284168,165.4638946554931,135.6707842356908,124.44393980124279,114.96117289972001,108.39773210424492,109.38373150670208,114.02560308688714,7.016308927536224,7.270850840579718,7.128890333333338,7.048272111111119,7.027165020833341,7.003801937500011,6.9783133333333485,6.977486400000017,6.9927495238095405,1.2939922871500833,1.7205572411594183,1.3447879999312373,1.1530530205035487,1.087808340674119,1.028516972986322,0.9804378623350639,0.9841423962022636,1.0160574855124909,163.85848683068053,143.58334784953038,153.84186785943226,159.83243054756335,161.28636287551345,162.9940633790084,164.98349373103147,165.08809669933362,163.92055736145065,1.6356682769726247,2.0128824476650564,1.7102272727272727,1.5987654320987654,1.5447048611111114,1.4887152777777777,1.4348816029143896,1.4262626262626261,1.4563492063492063,0.10171109053985819,5.978843503862893E-4,-0.02194271329012142,-0.02388635252584493,-0.014523830749766296,-0.009681873833665557,0.008614703936803239,0.007145128008664737,6.393571317656749E-6,1930.0378246376822,5.066169705969514E-12,-269.0610042488926,-76.43865218525127,-369.98748812224,-371.74206796282107,32.65044225078769,151.8855853301826,7.933752322621952,3588.9877504803694,-2.3007373783912044E-11,-500.3304267171856,-142.14093778583293,-688.0075331948522,-691.2702493316442,60.71489158916302,282.4377316682426,14.753151227273186,0.37808115942029025,-2.69038263889243E-14,-0.05270720352869368,-0.014973807183375126,-0.07247800882168086,-0.07282171896660157,0.0063959974795297055,0.02975334341525695,0.0015541676118500762,16.044445120781127,2.7144952952085077E-14,-2.2367098000393053,-0.6354361269178794,-3.0757137879758374,-3.090299647176559,0.2714238146914655,1.2626280725484296,0.06595345029886895,87.15368054049127,-1.6195933483231784E-12,-12.149843133057196,-3.4516991265448658,-16.70732611151722,-16.786556730189957,1.4743784692232271,6.858615729491436,0.3582601887833725,7.739935587761687,-0.3812399355877592,2.046628859483302,1.0178008821676114,-1.1064552264930365,-1.7763425050759516,-0.4745151578800015,0.3960477490723171,-0.13918644542463637,0.0014740737759399737,8.664990585308542E-6,-1.6623267644031377E-4,-1.3270195847691629E-4,-7.564495182169946E-5,-5.042642621700811E-5,4.7074884900564144E-5,4.330380611311962E-5,4.3493682433039106E-8,27.971562675908437,7.342274936187702E-14,-2.0383409412794893,-0.42465917880695153,-1.9270181673033333,-1.9361566039730265,0.1784177172174191,0.9205186989708036,0.05397110423552349,52.01431522435318,-3.334401997668412E-13,-3.7903820205847394,-0.7896718765879608,-3.5833725687231883,-3.6003658819356468,0.33177536387520773,1.7117438282923794,0.10036157297464753,0.005479437093047684,-3.8991052737571453E-16,-3.9929699642949755E-4,-8.318781768541737E-5,-3.774896292795878E-4,-3.792797862843832E-4,3.495080589906943E-5,1.803232934257997E-4,1.0572568788095756E-5,0.2325281901562482,3.9340511524760984E-16,-0.01694477121241898,-0.0035302007050993303,-0.016019342645707486,-0.01609531066237791,0.0014831902442156584,0.007652291348778361,4.4866292720319016E-4,1.2630968194274097,-2.3472367367002585E-14,-0.09204426615952421,-0.019176106258582588,-0.08701732349748552,-0.08742998296973936,0.008056712946575012,0.041567368057523854,0.0024371441413834865,0.11217297953277808,-0.0055252164577936115,0.015504764086994713,0.005654449345375619,-0.0057627876379845655,-0.009251783880603914,-0.002592979004808751,0.0024002893883170733,-9.468465675145332E-4,0.00587826113369606,-0.11277093396109843,-0.09002395988782592,-0.05131693749416503,-0.034208889025824134,0.03193522988396281,0.029376959837377235,2.9505770432219008E-5,2.6249069532720507E-15,-0.07287190082644497,-0.015181818181817394,-0.06889204545454482,-0.06921874999999962,0.006378539493293597,0.03290909090909086,0.0019294990723563734,-6.410546756765222E-15,-0.07287190082644934,-0.015181818181819209,-0.06889204545454532,-0.06921874999999904,0.00637853949329453,0.03290909090909147,0.00192949907235649,-7.11588655466879E-14,-0.07287190082647833,-0.015181818181828597,-0.0688920454545499,-0.06921874999999796,0.0063785394933021594,0.032909090909099784,0.0019294990723609626,1.6918598772185848E-15,-0.0728719008264455,-0.015181818181817863,-0.06889204545454565,-0.06921875000000045,0.006378539493293364,0.03290909090909096,0.0019294990723563857,-1.8583189353325377E-14,-0.07287190082645442,-0.015181818181820416,-0.06889204545454594,-0.06921874999999869,0.006378539493296564,0.032909090909093795,0.0019294990723579678,-0.04925621554145388,0.13822191539865503,0.05040830125871206,-0.051374115780713665,-0.08247782950171569,-0.023115896676802247,0.021398106730468762,-0.008440950498581123,1.3420426699063315,1.2575826599760678,1.10984219420594,1.07388126225755,0.9888513791486391,0.9049384320685075,0.899666422725206,0.9531062939872809,1.3600000000000005,1.2279338842975211,1.0545151515151518,1.0774715909090913,1.0441477272727275,0.9323397913561852,0.9047933884297523,0.9575510204081638,1.359999999999996,1.227933884297517,1.0545151515151483,1.0774715909090875,1.044147727272724,0.932339791356182,0.9047933884297493,0.9575510204081603,1.3599999999999968,1.22793388429752,1.0545151515151507,1.0774715909090895,1.0441477272727262,0.9323397913561843,0.9047933884297513,0.9575510204081623,1.3600000000000017,1.2279338842975225,1.0545151515151536,1.0774715909090935,1.0441477272727298,0.9323397913561864,0.9047933884297531,0.957551020408164,1.3599999999999985,1.227933884297519,1.0545151515151499,1.0774715909090895,1.0441477272727258,0.9323397913561834,0.9047933884297509,0.957551020408162,1.435972121086027,0.8162549766887629,0.9809234023371112,1.0378247555393718,1.0143100488921235,0.8801605749045421,0.7898168200259106,0.8566460808811183,359.3576460354933,179.67882301774668,290.44560749074134,359.35764603549336,14.374305841419737,179.67882301774668,5.6843418860808015E-14,0.34971039824091177,0.01398841592963647,-2.6266247515205055,232.3675740559607,9.294702962238427,13.620801222014228,359.3576460354933,179.67882301774668,290.44560749074134,359.35764603549336,14.374305841419737,179.67882301774668,5.6843418860808015E-14,0.34971039824091177,0.01398841592963647,-2.6266247515205055,232.3675740559607,9.294702962238427,13.620801222014228,359.3576460354933,179.67882301774668,290.44560749074134,359.35764603549336,14.374305841419737,179.67882301774668,5.6843418860808015E-14,0.34971039824091177,0.01398841592963647,-2.6266247515205055,232.3675740559607,9.294702962238427,13.620801222014228,359.3576460354933,179.67882301774668,290.44560749074134,359.35764603549336,14.374305841419737,179.67882301774668,5.6843418860808015E-14,0.34971039824091177,0.01398841592963647,-2.6266247515205055,232.3675740559607,9.294702962238427,13.620801222014228,359.3576460354933,179.67882301774668,290.44560749074134,359.35764603549336,14.374305841419737,179.67882301774668,5.6843418860808015E-14,0.34971039824091177,0.01398841592963647,-2.6266247515205055,232.3675740559607,9.294702962238427,13.620801222014228,359.3576460354933,179.67882301774668,290.44560749074134,359.35764603549336,14.374305841419737,179.67882301774668,5.6843418860808015E-14,0.34971039824091177,0.01398841592963647,-2.6266247515205055,232.3675740559607,9.294702962238427,13.620801222014228,415.1299805311598,207.08016152886393,338.8418271094765,414.857393864493,16.594295754579722,207.08016152886393,-0.35866666666692026,0.41316870792085286,0.016526748316834115,-2.2097481891921804,227.7338378758338,9.109353515033353,13.570443923251812,0,11.889999999999986,12.11051965857909,-0.17069338953116392,0.05010617398306312,5.11748175640424,10.01584973901963,25.0,69.0,66.0,63.0,19.0,3.0,0.0,0.0,0.0,6.0,48.10110799999999,3.875589266282595,3.5455942280397164,3.4660629764989226,3.342481015004883,3.1862157418933705,3.0579034570106325,3.0054541787365037,2.83535966527864,2.039508571048126,1.9498939150103374,1.8881185196040873,1.7949737348637789,1.676943433616567,1.5452281790254774,1.529478827363661,1.4209976247644072,3.8845339946095248,3.5734139462481678,3.4949945653376355,3.373194380375259,3.2188843322334058,3.0854590931163672,3.0397743685053156,2.8733230489310024,2.010078219358929,1.8918118772348276,1.8274320154160175,1.7296101191478699,1.6055784653687255,1.4681077819188204,1.451547150000192,1.3339852754478636,3.9266959208624312,3.6947372859500236,3.621495430619319,3.50828081612185,3.364354403359798,3.2181332535112315,3.193821395329228,3.0440441527152746,1.935755104378651,1.7187669846740754,1.6465928868264237,1.5351914287149127,1.3935707462980025,1.2467408722425566,1.2248457921940032,1.0787335059941696,3.8912623446197965,3.593853781316604,3.5162729171285454,3.395834322547549,3.2430817989951253,3.106388468222361,3.065283832727541,2.9015109397626895,1.9925632148890255,1.854616971049218,1.788563226544436,1.687772610291761,1.5598924058776646,1.4190851246538343,1.4021735425929436,1.2785345380705224,3.949231146680857,3.7532510747828516,3.6826222999198204,3.5738654027622516,3.435642445979927,3.2889824116154256,3.269524214470009,3.1289198892839183,1.9155293085058407,1.664148623722145,1.5895627866342414,1.4740838102559881,1.3273166131579703,1.1827905957527796,1.15449710917066,1.0002670040790167,3.9794233721014276,3.561017881194801,3.495532410339319,3.390395770488289,3.261681246734995,3.2382265987457477,3.1101092556274037,2.9744457132426123,1.9177339446198682,1.8582761443507592,1.7810976946161396,1.6682212572446478,1.52631826772503,1.3645821219286476,1.2425847650008237,1.1934035285409472,0,0,0,2,4,4,15,0,0,0.0,0.0,0.0,0.05555555555555555,0.20595037673258595,0.0,0.0,0.0,0.020833333333333332,0.07723139127471974,0.8834941513868708,0.0,0.23230780835289197,0.0,0.5380663065800388,0.0,0.12319981995668611,0.0,1.918867387492796,2.748157195653564,3.759247118183814,1.0893606450878395,1.4028716408978696,1.7480968510300114,18.330216356929817,12.147065707741406,9.557925744596043,7.048879150599879,5.123456124227638,3.602384101876079,2.274003828099423,1.3490449769636732,0.7332086542771927,0.48588262830965623,0.3295836463653808,0.2202774734562462,0.14638446069221822,0.09736173248313727,0.06890920691210373,0.04996462877643234,17.76130225617747,11.215360710159073,8.21213725788186,5.71892440649675,3.897420143036766,2.603436269987733,1.642659245949664,1.0206963507955313,0.7104520902470988,0.44861442840636295,0.2831771468235124,0.17871638770302345,0.11135486122962188,0.07036314243210089,0.04977755290756558,0.03780356854798264,36.92021168328923,66.53241077931548,62.960784313725384,63.720000000000084,42.56819880239527,526.8496958083832,0.5350755316418729,0.9642378373813838,0.9124751349815273,0.9234782608695664,0.6169304174260184,7.6355028378026555,7.794460000000009,111.37800000000009,220.52126971187377,342.47482457795013,441.0425394237476,17.641701576949906,220.52126971187377,0.015229575232593273,6.09183009303731E-4,-10.46129000660432,272.47901321244086,10.899160528497635,14.018903988508182,756,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,16.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,15.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.675742290278603,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6470553432635562,0.0,3.6768123652710605,0.0,0.0,0.6470553432635562,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.052256466675402,0.0,21.438667909712663,0.0,0.0,4.703003511003752,0.0,0.0,0.0,0.0,5.9727387792748505,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4198736472490723,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3113739320195897,0.0,0.20441830333090394,0.0,0.0,0.3113739320195897,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2233593997342895,0.0,1.270222800925926,0.0,0.0,2.309563103437993,0.0,0.0,0.0,0.0,1.4198736472490723,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.393440407565759,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.33568141124396644,0.0,0.35930555555555554,0.0,0.0,0.33568141124396644,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.29620219791267,0.0,1.47120485057548,0.0,0.0,2.393440407565759,0.0,0.0,0.0,0.0,1.5800339826663088,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,41.166666666666664,1.6466666666666665,0.35930555555555554,2.393440407565759,0.044020536957861234,1.270222800925926,16.84475853173037,0.2467930194175944,0.39344040756575893,3.5105199553583093,0.2467930194175944,0.39344040756575893,3.5105199553583093,12.5,0.5,0.0,0.0,0.44493,0.7,0.43333,0.43333,0.7,0.01159,0.01159,-0.0,0.0,0.71429,0.0,0.0,0.16,0.16,0.0,18.5,0.74,12.5,0.5,6.0,0.24,-6.5,-0.26,0.0,0.0,33.14477,1.32579,39.74979,6.60502,0.2642,10.01122,0.40045,12.14704,2.13582,0.08543,0.26696,0.01068,0.35296,0.01412,0.08695652173913043,25.0,0,0,0,0,0,0,0.76,0.9445911819316591,1.8109130340582003,2.867008690929263,3.3760231019763483,3.9481222483602276,4.203800950035841,65.17679155328447,124.95299935001582,197.82359967411915,232.94559403636802,272.4204351368557,290.06226555247304,0.15463491856589318,0.29645670519478173,0.4693455369157046,0.5526740747072281,0.6463299404456494,0.6881859898868375,5.163933274846511,4.29761142271997,3.241515765848907,2.7325013548018218,2.1604022084179424,1.9047235067423287,0.15309605573987478,0.293506490538357,0.4646748040306903,0.547174090639214,0.6398979318933853,0.6813374472223147,6.785276066048207,15.311248341773092,18.96966870019648,21.801402797407434,23.726414779429536,24.81967670125882,97.81376428845861,69.92168481964133,61.29666165784884,51.57067096653917,43.137026930991325,38.309249427075805,23.04,15.096313912009512,11.34375,16,6,16,4.21,3.3934999999999946,0.701987573148643,8.505357049888033,4.406252961524526,0.0,27.932951007867796,10.38551527465793,0.0,3.5327755290014426,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.121,0.088,0.4810000000000001,0.688,12.333000000000002,29.0,32.0,35.0,37.0,33.0,27.0,25.0,24.0,23.0,315.0,3.367295829986474,3.7256934272366524,4.081765780015241,4.467343869080688,4.836777815714431,4.773329428969542,4.405193693955416,4.294304778080654,4.280564759431712,4.2666333194846615,6.654112248753779,2.4602182539682538,0.47368421052631576,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,0.6,19.0,0.76,2,10.0,19.0,0.9,3.0,1.5555555555555562,1.125,0.8044444444444445,0.2569444444444445,0.18285714285714288,0.1371527777777778,0.10682791635172587,0.08562500000000005,0.07019691868176717,0.12,0.05363984674329504,0.03879310344827586,0.03217777777777778,0.012235449735449737,0.009624060150375941,0.0076195987654321,0.006283995079513286,0.005351562500000003,0.004679794578784478,0.31886717599842684,187.39382390694936,299.77373144803835,374.78764781389873,14.99150591255595,187.39382390694936,0.27379798709093905,0.010951919483637561,-3.2384117947612188,264.0356152254423,10.561424609017692,13.940210000510692,0.0,409.7902395442697,5.643856189774724,4.6913478822291435,5.442417710521793,6.22455842927536,7.00033446027523,7.798523053625206,8.590257762273243,9.401208634738603,10.204887601816106,11.026190646728798,120.37972618148348,3.9318256327243257,0.0,5.117993812416755,0.0,6.478509642208569,0.0,7.945555428253489,0.0,9.485013189834323,9.733529254725571,344.34430140800123,4.99049712185509,49.2563517312901,1.9702540692516042,0.0,0.0,0.0,2260.0,29.0,12.080000000000004,108.0,1.2444826629124786,2.1531025193184083,2.9254292879533055,3.6792124738933083,4.814029639604116,5.846351568143156,6.980392607376378,8.148228986171723,9.324921550709142,10.499569136776259,85.7831474461994,93.03881754094067,100.86743528404962,114.18751154668473,125.13018298976958,141.9699371608417,171.6175974970102,208.35407738337543,235.63459039662524,263.26101185958646,308.0133922756795,381.99028046630156,433.2615456195094,524.3797439369536,609.358368874784,697.4693111760887,832.7030780658021,1003.8787752783797,1140.5314903861836,1277.5472878888281,9.084051199066336,15.40371174289511,20.683168197603536,26.029192157773256,33.85374583998589,40.96037103099286,48.880972723622435,57.16715173388952,65.40265392532376,73.62309664984994,2.282254940420961,3.049608076452469,3.581174242956797,4.426429036809077,5.300599768699825,6.134788895571078,7.305900788389483,8.749915311473755,9.961820159700345,11.173691440025324,176.47036810564478,327.3760003886744,463.2522303718088,580.4856804553576,774.634823508854,952.5824585853244,1139.4930775362045,1321.814928637028,1514.159188469415,1706.2539669554849,2.5784531765851235,3.7969826836283254,4.818992567838151,5.986951326614978,7.40281839047723,8.644123227841872,10.238142380357022,12.163715762127993,13.952015148356196,15.745144144404177,0.47124280223609466,0.638965703802143,0.7559291247657071,0.9371791845200651,1.1286390015819776,1.3095007005836787,1.559113273016613,1.8646430955904467,2.1237011481478074,2.382659241489796,800.3093402286303,999.5245325321432,22.28301344442003,158.3754087494015,-197.79864914435458,-7.7639548709037065,641.9339314792288,1197.3231816764978,30.046968315323735,0.8347992821224793,1.042599805199412,0.02324331691744753,0.16520071787752058,-0.206322932909082,-0.008098548432297651,767.2443589418588,958.2289255679624,21.362385150437923,151.83208898121316,-189.62654830314938,-7.443185126489087,0.049882429701228956,0.05226606668879315,0.5087141996260419,1.3757746521931362,958.6847489780318,0.0,1.0,0.0,1664.633363758026,40.799918673424166,11.8514875585907,2091.287575943894,45.7305978087308,12.788057660031985,3160.4037645675,56.217468500169055,14.67509281904943,2.1834497914750086,2.1834497914750086,19122.73250502266,18877.621342568167,567.2087566134505,1.0129842186156037,33.71374697949999,33.28161126298189,10.371226990438672,12.72210720416316,24.463312870178576,0.9228978719950768,12.435060658708476,19.864283421765176,10.131442394734723,82.10188211235149,31.325630944295735,7.580364187129075,21.74794503240845,17.335400277142103,65.49724978008129,10.790130436806876,12.45258925716055,59.83911187616504,11.073029972681153,69.21422005809308,9.871468323620249,6.399638207453955,32.888876310803205,10.359922319738553,59.52375202236989,9.806611839536584,8.462268208495807,24.331187644711413,12.680272216351558,44.98856945204754,11.491329597898641,9.257724726363296,15.418908430312603,13.64918537162682,27.39524419218632,12.854898008611501,1.0436980806727891,19.102605303334784,0.6170069109012972,22.395051622547268,1.979824975391509,1.497561848783114,2.8462508716544264,2.0146401186997287,16.611829555762387,0.8649796411428013,2.4754270793779822,4.446953647213522,1.9277370789315638,13.23045131617796,1.6300590729874305,0.6426517243975371,2.323313315854022,3.013314499445524,9.612542283515074,1.515075247868656,1.0219158589566921,1.6272316263749647,2.4429689275114717,6.49977991667967,1.3096460156215395,2.006088203495705,1.2819000577032458,2.786043153529171,3.8224951327856993,1.2434736209226853,3.3689180380822967,19.153503761098804,2.1448305496092726,27.017755357243963,4.07486911737894,2.3371647705076186,6.643803564405168,4.2705953566378305,23.104911967466926,2.1627530514348448,3.585040275235895,13.270172223205313,3.295239633295668,21.89956992199215,2.741007117849046,1.6158787302293016,5.986643945943777,3.9399254233013137,17.10324014825862,2.5703317735206164,2.1730187361963162,3.9795459451027386,3.635000332857539,12.009895631049089,2.525963537953158,3.124721000136369,2.61627368652677,4.334721619653974,7.17021168461967,2.788651782953434,11.737689604293102,19.780658407827293,9.402418529040427,75.77052068967426,28.15115835794901,7.065755651933893,20.569328144032607,16.08922360779697,61.271474121529906,9.924920412145584,11.513874469361413,55.569462959286376,10.336544751823173,64.81111670442226,9.164828392935329,5.975775266363363,30.106458567018386,9.707463953510542,55.514027908207304,9.073581570762755,7.876719265934041,22.133955044150753,11.736003464788242,41.80228187099125,10.563073843320026,8.685869419263772,14.004655479539034,12.747580444250412,25.4342283127558,11.852211017444027,4.965108643698002,19.219494820361266,3.3166405475076353,32.43722245143514,6.669575329163299,3.0328959090453087,9.268723381551128,6.077956352517918,28.59711888410261,3.2698400244648766,4.621982120270572,20.064438274443773,4.3822239445583,28.669662884075297,3.673268706104553,2.3439158599116148,9.266199788858618,4.746146877529961,23.04623701136859,3.483936954760339,3.0723722245368177,6.271923014085733,4.7198146145849895,16.48907250397817,3.6168674362055007,3.9999881755633275,3.9928898110917226,5.596397781600256,9.90300132685015,4.094316178411998,15.017111783118374,20.215914962487787,12.997094034472484,108.58263334770086,44.64382530100977,9.64721233480227,26.13620898367762,22.29942710561224,82.54342529333208,14.28609850120139,16.300556206954965,76.64526240771467,14.00043852467626,86.6248970041653,12.717314974513839,8.050108885277604,44.22553403399308,13.005837484274622,75.45337308440352,12.776649934512571,10.777961095118458,33.38319389976231,16.53702672056457,57.728396593765304,15.274479746492018,11.520285767777324,21.278366538538165,17.256031369226083,35.24405018819628,16.8987634651482,7.629233065286214,17.96169655191325,5.255411902178042,44.94716638296173,13.037802112662638,4.756891269561774,13.35221427386455,9.885266802784136,37.700819771376594,5.6723050670442365,6.969162118458008,30.75037296277154,6.470297364131912,38.48573879490937,5.415086554014268,3.525653507681125,15.669350416755268,6.711932831561531,31.941248436753913,5.345983137436041,4.779991709172833,11.068947142094563,6.94331353298257,23.63423135454152,5.924053830002175,5.799552012071737,6.997862533946878,8.162741292544844,14.488102140201878,6.730731974451927,55.87924699288824,1.873508778251514,0.9386244316343183,0.9520860950931784,0.03192136173623264,0.5841329022732799,0.27038327637794163,0.38816274987980365,58.69138020277407,158.89840732426228,315.854623094976,0.9281291426397676,1.2426789285310251,54.889138788007365,1.180278006639504,0.4677358064283482,0.9708507815259781,0.020876148732984788,0.5636763125893672,0.10942897922851952,0.09621382145111171,56.53715260107522,91.01011719527973,177.84927363424654,0.9562761722889673,0.7693191132689985,55.26635616503421,1.4452144590115379,0.6473795626155697,0.9635175676190507,0.02519597123567333,0.5714174702832646,0.1629195120229237,0.18446813792519967,57.35895018666132,116.58564881242562,225.65192918070585,0.945276351428576,0.9188051202313879,55.85305361313258,1.8552589504378865,0.9261932559301002,0.9525628779932015,0.03164107763010885,0.583585973857191,0.2652904872689525,0.37793617916393707,58.63450581950057,157.0709275325366,311.67931757517385,0.9288443169898022,1.2268126402900805,55.44110229686262,1.5676007488877177,0.7304981961327205,0.9601986363581102,0.027149678470969323,0.5750254390608046,0.19102385260176627,0.2349533799131537,57.73920124188306,128.55426821850895,249.78071228410158,0.9402979545371652,1.0010026715757245,55.96184532586011,1.9310262884453069,0.9778157504835012,0.9505892971674624,0.03280115070645957,0.5858596430014592,0.2867264876693509,0.4212981641741276,58.87068736478892,164.67235617933304,329.20952383795384,0.9258839457511936,1.2938842948449376,55.991683791213674,1.8656947935708639,0.9283627475060638,0.9524704889697091,0.03173719938351871,0.5864863934519465,0.26834212023883175,0.3799703791033031,58.785741332290605,158.17602787900256,313.9416916879455,0.9287057334545638,1.2347988927940814 +UMLCN0344,L,5-phenyleicosane,CCCCCCCCCCCCCCCC(CCCC)C1=CC=CC=C1,Aromatics,,C26H46,NREL (2014),Unknown,PubChem,,39,0,-2.8045000000000027,7.865220250000015,96.91349999999998,76.43247799999993,6,6,72,26,46,0,26,0,0,0,0,0.0,0.0,0.0,0.0,0.0,3797.606089999997,4307.7931940000035,5116.081516000015,5210.318428000029,5100.343443000027,5114.482659000029,4850.168593000029,4358.872918000037,3802.977547000005,12441.291689305397,16289.323798526442,22555.48499512774,24671.468276802254,24529.993735302625,24706.897840535003,24089.337269777385,22307.270971538666,19827.186613723632,505.1027599999994,523.4644880000005,984.8931040000006,1389.1984480000026,1389.5739000000021,1410.1284600000022,1409.282692000002,1364.5099120000023,1257.2751160000025,92.96359362305374,123.73443825999988,185.1936517815274,213.87722028792092,213.53972740822294,215.54249752792094,212.19178614792094,199.14659040761885,178.75522149792064,11802.865251455454,10340.290453133399,21125.009618099964,32124.68342662076,32087.421409620965,32610.37926138236,32663.035644628155,31886.875141842138,29605.431292394664,116.80555555555556,142.97222222222223,233.83333333333334,294.91666666666663,294.91666666666663,301.5,303.75,291.5,263.25,52.74452902777774,59.83046102777783,37.07305446376822,26.31473953535368,25.759310318181956,25.4451873582091,24.13019200497527,22.353194451282242,21.127653038888916,172.7957179070194,226.24060831286727,163.44554344295463,124.60337513536491,123.88885724900315,122.91988975390548,119.84744910337007,114.39626139250598,110.15103674290907,7.015316111111103,7.2703401111111186,7.136906550724642,7.016153777777791,7.018050000000011,7.015564477611951,7.011356676616925,6.99748672820514,6.98486175555557,1.291161022542413,1.7185338647222206,1.3419829839241115,1.0801879812521258,1.0784834717587017,1.072350733969756,1.055680528099109,1.0212645661929172,0.9930845638773369,163.92868404799242,143.61514518240833,153.0797798413041,162.24587589202403,162.05768388697456,162.2406928426983,162.50266489864754,163.52243662483147,164.47461829108147,1.6222993827160495,1.9857253086419755,1.6944444444444444,1.4894781144781142,1.4894781144781142,1.5,1.5111940298507462,1.494871794871795,1.4625,0.1234840098836546,-0.004510965416203749,-0.05283581790481994,-0.003709920152967108,-0.0035125256101969414,0.006803197072427612,-0.0057299389945064585,-0.007911177902671237,-8.794028073277832E-4,2011.0409272777792,5.4214410738495644E-12,-683.238263754625,132.83631543055637,-31.94797459722119,-28.304784511572706,-183.00024045601745,-160.02011837731467,-60.5330045000002,3739.616478795971,-2.390265763096977E-11,-1270.5107267704436,247.01480085693018,-59.408622990905236,-52.63395545685493,-340.29676151808485,-297.56424322637724,-112.56370671960426,0.39394911111111136,-2.9710608973054775E-14,-0.13384168518521303,0.026021722222220454,-0.0062583888888910885,-0.005544712962964478,-0.03584849074074094,-0.03134684259258845,-0.01185799999999261,16.71782562054729,2.7478019859472624E-14,-5.679774089032048,1.104271090320451,-0.26558418627957514,-0.2352982703003279,-1.521284856496265,-1.3302506172425201,-0.5032121424244851,90.8114941025692,-1.6631140908884845E-12,-30.85262299638721,5.998418088714804,-1.4426575150074825,-1.2781439387346296,-8.263643485085991,-7.225942465519061,-2.7334563442240007,8.024305555555536,0.5937499999999982,-0.5789930555555602,1.1970486111111078,-0.4418402777777857,0.021267361111106678,-0.3919270833333406,-0.8111979166666754,-0.7135416666666736,0.0017150556928285361,-6.265229744727429E-5,-3.82868245687101E-4,-1.873697046953085E-5,-1.7740028334327986E-5,3.384675160411747E-5,-2.8507159176649048E-5,-4.057014309062173E-5,-4.885571151821018E-6,27.931123989969155,7.529779269235506E-14,-4.951001911265399,0.6708904819725069,-0.16135340705667267,-0.14081982344066024,-0.9104489574926241,-0.8206159916785368,-0.3362944694444456,51.93911776105515,-3.3198135598569125E-13,-9.20659946935104,1.2475494992774252,-0.30004355045911735,-0.261860474909726,-1.6930187140203226,-1.5259704780839858,-0.6253539262200236,0.005471515432098769,-4.12647346847983E-16,-9.69867283950819E-4,1.314228395061639E-4,-3.1608024691369134E-5,-2.758563663166407E-5,-1.7835070020269124E-4,-1.6075303893635102E-4,-6.587777777773673E-5,0.23219202250760126,3.8163916471489756E-16,-0.04115778325385542,0.005577126718790156,-0.0013413342741392684,-0.0011706381606981487,-0.007568581375603309,-0.006821798037141129,-0.0027956230134693616,1.2612707514245722,-2.3098806817895617E-14,-0.22356973185787835,0.030295040852094973,-0.007286149065694356,-0.00635892506833149,-0.041112654154656675,-0.03705611520779006,-0.015185868579022226,0.11144868827160466,0.008246527777777754,-0.004195601851851886,0.006045700056116706,-0.002231516554433261,1.0580776672192377E-4,-0.0019498859867330377,-0.004159989316239361,-0.003964120370370409,-0.036530765565954124,-0.2232395410178546,-0.010924992434869047,-0.010343703944138657,0.019735074345192897,-0.016621710476138498,-0.023655291930323195,-0.0028486370280859778,2.6958382598350353E-15,-0.17725752508361073,0.024019458802067628,-0.005776831863788195,-0.005041681225976891,-0.03259621624319851,-0.029379984563931007,-0.012040133779264247,-6.391740374046488E-15,-0.1772575250836145,0.02401945880206805,-0.005776831863788322,-0.00504168122597711,-0.032596216243198826,-0.029379984563930827,-0.012040133779263475,-7.541737786704904E-14,-0.1772575250836488,0.024019458802065848,-0.005776831863790412,-0.005041681225978512,-0.03259621624319888,-0.02937998456392715,-0.012040133779256704,1.6436359897007395E-15,-0.17725752508361065,0.02401945880206792,-0.0057768318637879,-0.005041681225976769,-0.03259621624319818,-0.029379984563930504,-0.012040133779263848,-1.8313916176844757E-14,-0.17725752508362078,0.024019458802067295,-0.005776831863788835,-0.005041681225977254,-0.03259621624319838,-0.029379984563929786,-0.012040133779262054,0.07399394201644306,-0.037646040675032855,0.054246489123165875,-0.0200228157822277,9.493854827978437E-4,-0.017495818182992805,-0.037326498685218354,-0.03556901774123799,1.358579567093162,1.3028767839643618,0.9291874805661375,0.9421160532187736,0.9369745101554278,1.0104824767130107,1.022908548462838,0.9873990032150891,1.3653846153846156,1.3473171441035336,0.9714198844633629,1.0038005472788083,0.9994509060050917,1.020715818898817,0.9973244147157192,0.9617056856187292,1.3653846153846165,1.3473171441035343,0.9714198844633634,1.0038005472788087,0.9994509060050921,1.0207158188988175,0.9973244147157198,0.9617056856187297,1.3653846153846125,1.3473171441035334,0.9714198844633622,1.0038005472788074,0.9994509060050908,1.020715818898816,0.9973244147157185,0.9617056856187289,1.3653846153846132,1.3473171441035325,0.971419884463362,1.0038005472788076,0.9994509060050911,1.0207158188988166,0.9973244147157184,0.9617056856187282,1.3653846153846179,1.3473171441035352,0.9714198844633639,1.0038005472788094,0.999450906005093,1.0207158188988186,0.9973244147157203,0.9617056856187304,1.2596278667243648,1.0418979173329845,0.8031330177587226,0.896231899260893,0.9158706682941866,0.9959634970969494,1.0417335152947467,0.9872205394490144,379.21219676333976,189.6060983816697,299.55923444951867,379.21219676333953,14.585084490897671,189.6060983816697,-3.410605131648481E-13,0.3800807229419024,0.014618489343919324,-2.5151662120702705,233.31440527582984,8.973630972147301,14.17620599937991,379.21219676333976,189.6060983816697,299.55923444951867,379.21219676333953,14.585084490897671,189.6060983816697,-3.410605131648481E-13,0.3800807229419024,0.014618489343919324,-2.5151662120702705,233.31440527582984,8.973630972147301,14.17620599937991,379.21219676333976,189.6060983816697,299.55923444951867,379.21219676333953,14.585084490897671,189.6060983816697,-3.410605131648481E-13,0.3800807229419024,0.014618489343919324,-2.5151662120702705,233.31440527582984,8.973630972147301,14.17620599937991,379.21219676333976,189.6060983816697,299.55923444951867,379.21219676333953,14.585084490897671,189.6060983816697,-3.410605131648481E-13,0.3800807229419024,0.014618489343919324,-2.5151662120702705,233.31440527582984,8.973630972147301,14.17620599937991,379.21219676333976,189.6060983816697,299.55923444951867,379.21219676333953,14.585084490897671,189.6060983816697,-3.410605131648481E-13,0.3800807229419024,0.014618489343919324,-2.5151662120702705,233.31440527582984,8.973630972147301,14.17620599937991,379.21219676333976,189.6060983816697,299.55923444951867,379.21219676333953,14.585084490897671,189.6060983816697,-3.410605131648481E-13,0.3800807229419024,0.014618489343919324,-2.5151662120702705,233.31440527582984,8.973630972147301,14.17620599937991,445.30040635097475,221.97488571168182,353.53097822438076,444.95154047326264,17.113520787433174,221.97488571168182,-0.45352564102583415,0.3960755807329478,0.015233676182036453,-2.4079905863063846,234.34283722454407,9.013186047097848,14.187641414611933,0,11.849999999999996,12.150376834611613,-0.20990817285783847,0.09051031361119116,5.127076904266392,10.640932945790178,26.0,72.0,69.0,66.0,20.0,3.0,0.0,0.0,0.0,6.0,50.28752199999999,3.8122875275953643,3.5456709330049794,3.4766506820733123,3.4039909562581516,3.2984653260740684,3.1550232167259873,3.0016433739308983,2.817653222087534,2.022596727137939,1.9471736885323525,1.8818238619023895,1.8227308551617618,1.7764499604881898,1.6614802193800873,1.5406821994965223,1.427741727631981,3.8244813599751124,3.5732207913353995,3.503906262711369,3.4328512886221763,3.331322998343682,3.189633492031751,3.0376966352352706,2.858811623940648,1.986415482368383,1.8894334514268656,1.8226339334590937,1.7633227188706195,1.7081451971152264,1.5890914228695632,1.4629021394233168,1.340964455990551,3.880612206467923,3.693576452991211,3.62406765930094,3.5590331772515027,3.4750519289807404,3.341710825087152,3.198114223166625,3.0418840070571975,1.8924074160969369,1.7174434174471227,1.6480836101002476,1.584045943473185,1.503543977353642,1.3719388858035964,1.230293597643589,1.0784962010133008,3.833584881464199,3.5934758369397457,3.5240079279942447,3.4540790589426376,3.3554984529364282,3.215144467055148,3.0643951466629975,2.8893058502027333,1.9646390200832975,1.8524581140133367,1.784898424358104,1.7250126953087017,1.6642956728734706,1.5425783854612634,1.4129505579753288,1.2849650879733856,3.9097990229369675,3.7517047323028714,3.6826531752970824,3.6199223159903573,3.5444149162576677,3.41532046200139,3.276593367077678,3.1310636159311658,1.86595049069759,1.6632061608166562,1.5935914263679196,1.527191454958756,1.4387808206473114,1.3032567521965361,1.157295694509213,0.9953676937042142,3.9773251209127083,3.5699252540977393,3.521490757197953,3.4611424951010203,3.365302167043106,3.240458904522841,3.101627335625466,2.929805266294806,1.9163533623280613,1.8473535845919071,1.7604421986971939,1.6387520783405498,1.6248313090000985,1.4944788718798074,1.348986959695904,1.2101862896588613,0,0,0,5,1,2,17,1,0,0.0,0.0,0.0,0.10206207261596577,0.05892556509887897,0.0,0.0,0.0,0.032075014954979206,0.018518518518518517,0.3333333333333333,0.0,0.08333333333333333,0.0,0.2405626121623441,0.0,0.048112522432468816,0.0,0.9428090415820635,1.4999999999999996,1.9100258513985802,0.6179846864976636,0.8980185862001159,1.0511122248368263,18.7110497244833,12.880540057561882,9.331714098643321,6.923433276375334,5.1119194615446935,3.8345861189514605,2.391245261744935,1.628365740060045,0.719655758633973,0.4954053868293032,0.33327550352297575,0.22333655730243013,0.15035057239837335,0.1036374626743638,0.07246197762863439,0.05088642937687641,17.98491689530907,11.930068880418597,8.281151374483821,5.833255508911967,4.061903291727948,2.8704807193514776,1.8500122421978062,1.2084408677583192,0.6917275728965027,0.45884880309302295,0.29575540623156504,0.18816953254554733,0.1194677438743514,0.07758055998247237,0.05606097703629716,0.037763777117447474,38.462039487075124,69.42024763292073,65.68627450980381,66.48000000000008,44.36675329341324,549.8779508982034,0.5341949928760434,0.964170106012788,0.9123093681917196,0.9233333333333343,0.6162049068529617,7.6371937624750466,9.441699999999999,119.02000000000011,217.8645850831237,330.3712144925894,435.7291701662475,16.758814237163364,217.8645850831237,0.11822574879540407,0.004547144184438618,-5.551414327745938,323.5935467247572,12.445905643259891,15.026669431408406,783,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,20.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,17.0,0.0,0.0,5.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.7984346958332,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7738517239363594,0.0,4.683447183550222,0.0,0.0,1.7738517239363594,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.611393614043101,0.0,24.294932570697867,0.0,0.0,11.229095157611335,0.7952391194258353,0.0,0.0,0.0,1.5693395382218644,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5693395382218644,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.32710522453659646,0.0,0.20441830333090394,0.0,0.0,0.32710522453659646,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2986360661606637,0.0,1.3213665174056695,0.0,0.0,2.144431536922498,0.7952391194258353,0.0,0.0,0.0,1.5693395382218644,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3358941112694627,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3878228117856646,0.0,0.35930555555555554,0.0,0.0,0.3878228117856646,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3127575478824376,0.0,1.4721215295416095,0.0,0.0,2.3358941112694627,0.7952391194258353,0.0,0.0,0.0,1.5693395382218644,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,42.5,1.6346153846153846,0.3878228117856646,2.3358941112694627,0.04270109251341683,0.7952391194258353,17.711623525869136,0.538094213907498,0.3358941112694626,3.6809775433088703,0.538094213907498,0.3358941112694626,3.6809775433088703,13.0,0.5,0.0,0.0,0.44444,0.7,0.43333,0.43333,0.7,0.01111,0.01111,0.0,0.0,0.71429,0.0,0.0,0.07692,0.07692,0.0,19.0,0.73077,13.0,0.5,6.0,0.23077,-7.0,-0.26923,0.0,0.0,34.04237,1.30932,40.86666,6.82429,0.26247,10.92422,0.42016,12.88053,1.95631,0.07524,0.03347,0.00129,0.11947,0.0046,0.08333333333333333,26.0,0,0,0,0,0,0,0.7692307692307693,0.943601631299382,1.8037335925607734,2.5455672803412988,3.31304477745575,3.8135660730170207,4.24313255764786,67.9393174535555,129.86881866437568,183.2808441845735,238.53922397681401,274.5767572572255,305.5055441506459,0.15293567281268428,0.2923428716133703,0.4125766974065705,0.5369667826888133,0.6180895346581268,0.6877121774828647,5.22632337014293,4.366191408881539,3.6243577211010134,2.856880223986562,2.3563589284252915,1.9267924437944526,0.15148966091100996,0.28957875998429117,0.408675770933163,0.5318897437985944,0.6122454774347301,0.6812098358428957,6.78395510843524,13.622457731547868,17.76483181454837,20.926261485529174,23.143536865205565,24.872659702854282,101.77689601534782,81.22368266852013,66.73267649076872,55.24175462926855,46.9998965855579,39.5476998823146,24.03846153846154,18.367346938775512,13.785639958376692,20,6,20,4.32,3.5343999999999975,0.05263157894736841,5.35841576622599,0.4805622828269509,0.0,0.0,9.926537977071282,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.15099999999999997,0.14400000000000002,0.514,0.649,12.673000000000002,28.0,31.0,34.0,37.0,33.0,32.0,29.0,26.0,23.0,325.0,3.4011973816621555,3.624340932976365,3.926911617921897,4.264438892446495,4.626809361091572,4.381245079339061,4.512232190328822,4.449977296582389,4.355104977107617,4.200954297280359,6.565088898197597,2.181153846153846,0.47368421052631576,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.0,0.6923076923076923,20.0,0.7692307692307693,2,10.0,19.0,0.9,1.5,1.1111111111111116,0.5625,0.27111111111111114,0.2361111111111111,0.1616326530612245,0.11805555555555555,0.07785336356764927,0.04562500000000001,0.037139067442097745,0.057692307692307696,0.0396825396825397,0.020089285714285716,0.010041152263374487,0.00874485596707819,0.00646530612244898,0.005366161616161616,0.004097545450928909,0.0026838235294117654,0.002321191715131109,0.17296845616216747,195.03867418726315,305.34477348803705,390.0773483745264,15.002974937481785,195.03867418726315,0.32804486636056207,0.012617110244637002,-2.897972719896632,238.05337793669761,9.155899151411447,14.228486806482223,0.0,427.0862241701365,5.700439718141093,4.6913478822291435,5.424950017481403,6.175867270105761,6.934397209928558,7.70210434005105,8.474911799159631,9.253687176479549,10.036224879974322,10.823072851359713,121.51656342676912,3.970291913552122,0.0,5.10594547390058,0.0,6.415096959171596,0.0,7.818027938530729,0.0,9.282009658666542,9.552439604462528,358.3599514720013,4.97722154822224,51.57350353324081,1.9835962897400312,0.0,0.0,0.0,2437.0,28.0,13.115000000000002,108.0,1.245281996402236,2.162151982917239,2.90134802722122,3.6572167680779684,4.79639614584215,5.730401734239996,6.836499640673824,7.821071607097997,9.0272115086748,10.088085531523717,85.78497991984385,88.55154131357968,89.30406648310799,115.8518655037481,141.59455396761004,159.84844618247436,173.16088818664508,187.89027323032582,214.0618553277909,249.21995429588412,308.0867752301944,376.29432111561715,395.0804858989753,520.1394778887029,645.46759533515,753.5638426396694,841.8809013630552,933.2991231879973,1059.037970869694,1214.3770403831832,9.089715457383017,15.478646207250307,20.418494982207804,25.83958801213703,33.77634579273289,40.3501288657041,47.980755644389774,54.8205003513688,63.19245124560052,70.69812595442578,2.2830455809436967,3.0380678452085395,3.3283640262735403,4.369427556732447,5.4847507342455915,6.472886881900777,7.35212830271108,8.226874127637526,9.353541508224701,10.648301891715299,176.594326984456,327.62473102115143,466.4639579190189,579.923978764399,769.039946421356,918.5117346666323,1107.576265934617,1272.181203444093,1474.8955298405178,1642.3824874973511,2.5433116623321506,3.7518628045061195,4.438992564447339,5.729740039116764,7.4145889152286815,8.956113221182326,10.463307953666849,11.759286261628333,13.300246674112731,14.970443923487567,0.4714154979762577,0.6375892020403418,0.7052570863025645,0.924689790051418,1.1635074545580575,1.3753341102616798,1.5670769550852697,1.756412832982421,1.9981554977777616,2.271767240053072,758.4101808070911,1050.6820105652237,23.496029333328735,111.26532886326102,-154.14413254822546,-6.813512331199472,647.1448519438301,1204.8261431134492,30.309541664528208,0.8720610990811549,1.2081310774905931,0.027017007000961574,0.12793890091884474,-0.17724327158143532,-0.007834545477521968,659.5707605325912,913.7524130397815,20.43392128569222,96.76473158779591,-134.05537703657234,-5.925544809281131,0.0447804019292104,0.04711815197304109,0.5339518407986307,0.4519497133370283,869.6755096703524,0.0,1.0,0.0,1720.189330183229,41.47516522189187,11.981892435881452,2166.85455141349,46.54948497473941,12.9402674823762,3290.589950293127,57.36366402430311,14.87389081056204,4.247665442933849,4.247665442933849,18215.340843633952,17317.859231488677,1122.7908905341392,1.0518240505450815,16.223270955617092,15.42393991391411,11.138633007326955,12.156657738030875,23.689658382630522,0.9486983094473262,13.23783675312641,20.771289176443474,9.939423977816977,91.07745439445418,34.525653340461226,9.07472677286622,24.358925616748515,29.45375341131911,64.91772982896956,16.881842827066393,21.357267695881486,69.29401426549632,21.37469105097701,71.84104709248354,17.21621194895053,17.43932206996702,38.560731588728146,14.483268817895368,64.59811414396594,9.430386764838595,9.039139785765032,25.08203300984593,11.959426208445674,49.930559897036055,8.587907827151039,11.04157380310541,17.17070548317777,14.378853473588679,31.076233863397572,11.57615384884478,1.1110695153734707,19.89998112303927,0.685077718474947,22.42403227147111,1.7686674484667382,2.5867400204809634,4.379474282135857,3.182963565608569,16.293649405990006,1.3366757208515894,5.946775242598535,5.592459114644372,4.315236804577335,14.36905117431802,2.0485783813279808,1.7448709116639394,4.037513471792968,1.596115949474736,12.205917860624883,1.5011159207512348,0.5965544141241179,2.7176883997530243,1.6372920749251976,8.259670024436728,0.8917634784051389,1.0854097871751451,1.745647164791325,1.8072107620068614,5.364578626184776,0.46736328318593356,3.58640124203978,19.958205267156192,2.3090991873272997,27.629055669089322,4.084589713340844,3.4811265468171033,8.222448389594877,6.6654149835969605,22.957207653639887,3.59166649527001,8.111510373680284,15.66657397733988,6.526801851284755,23.426851797986945,3.8343651853290854,3.786923377144444,8.378155351175174,3.163303439734335,20.098660069999617,2.8532633183858933,1.651672147503272,5.064311606382218,2.966052289719778,14.355645783377303,1.8393883431447708,2.3110398349829366,3.5363281912910796,3.3436601575136136,9.264551568296158,1.7688667560125149,12.495444752383708,20.675627754788135,9.279135590643575,83.75834889103358,30.974164181588907,8.525434844724586,23.052571485955983,27.180400943335002,60.787133612144586,15.605382198806135,20.066847336541105,64.35816283119777,19.880815529700282,67.3768714500263,15.824137042107806,16.067611854482944,35.48985165481747,13.3181467245922,60.39958036725934,8.850724003989534,8.285905880820632,22.928101651427678,11.05220854612905,46.52694049379338,7.896244612836939,10.146703732639,15.74601363972625,13.244955984159253,29.025192371066378,10.55432957938566,5.285638871297131,20.033694466631893,3.502619405322641,33.817597833676906,6.972082809323939,4.2227558804060035,10.930382565527752,9.61421275466049,28.499983840486646,5.412252607884362,9.88877524496813,23.451738753780706,8.422249241066128,30.438553285398417,5.449292358973772,5.533607592757399,12.161421351127284,4.554860677982413,26.348639731411954,3.8605655838482127,2.5743780035508412,7.333888598702996,4.109270413549888,19.255903479798945,2.674980390723323,3.3919031535075863,5.168763858685465,4.704121043266416,12.34210604939805,2.9491446230431246,15.986580177665425,21.173532188638564,12.49061388066381,121.71500991719888,49.43073360106091,11.281207973808192,29.29026433510305,38.626095408241696,81.52159530535675,21.976784181222847,26.52910709861896,88.74565044568449,27.416222231667103,89.44374371204279,22.896734586746422,22.98470180691565,51.017865910130354,19.22431544675727,81.26873847085538,11.683617777669605,12.096423177886344,33.94815530144825,15.631031893370423,63.500645444314685,11.399198809844167,14.678880695695518,22.99113446979522,18.990767334998804,39.211906353673506,15.747543001439464,8.064710092665825,17.913253120374353,5.706963708201942,46.24877700336218,14.054530486103111,5.763817059454702,15.250758450012336,15.921827312531612,37.06682801133594,9.113879346055183,14.19223597531284,36.614485173404546,12.914388806740424,41.29224511449629,9.222886914401595,9.761058627898596,19.879767883074784,7.556557819782411,35.81419003595149,5.713248818749287,4.616251796138576,12.125339075978953,6.531843600001132,27.044718073905095,4.537370513113148,5.620178163599652,8.577709679734017,7.78394735026982,17.317524998543337,5.35213349387033,48.670204252970336,3.4986050575524725,0.7639448002345282,0.9194723582893878,0.06609527723103044,0.5546119374921143,0.2610412737534692,0.44934964095227403,52.93275411075734,210.13191335875442,393.1475247558179,0.8792085374340818,1.2650028521978576,48.53527577748799,2.8457733561093628,0.31429483083517523,0.9388713190665927,0.05504892970762153,0.5506245047281512,0.15928874968832019,0.0762552946936934,51.695343964432524,154.26919278457328,249.37506281695653,0.9083069785998891,0.7861685491101648,48.57619999313103,3.105838438116034,0.4861324875400581,0.9311463127344852,0.05953512234406402,0.5516728563281978,0.19631366052785482,0.18227873981347342,52.16817091878712,175.9941470200012,301.5050432618281,0.8967194691017278,0.9302652566695261,48.66548889664843,3.482573915038812,0.7521067085293325,0.9199495831114529,0.065832944329373,0.5544546546126942,0.2582012026285017,0.4355689562403906,52.90016952021657,208.70207007155773,389.07015864728885,0.8799243746671793,1.2482248134815865,48.59952709450738,3.2215828246786233,0.5655159033825878,0.9277086724216986,0.06149628410102219,0.5523538412713017,0.21430541067318876,0.24655879575040512,52.38662582256859,185.87306356540526,326.80104504312277,0.8915630086325479,1.0132180476948955,48.68548192576236,3.548716507176227,0.8012547525362526,0.9179799360910555,0.06691215581331428,0.5551265945665692,0.27002025192611917,0.4941743059130907,53.035453185474836,214.62387310909645,406.09288980742406,0.8769699041365833,1.319321152405779,48.79169402829408,3.500820677730592,0.7551456718637671,0.91977089433772,0.0659938751830386,0.5573022090148946,0.26061300739548227,0.43917000686220176,53.04766037788844,210.29943750688312,392.33426361091676,0.8796563415065799,1.2570852232725787 +UMLCN0345,L,tert-butanol,CC(C)(C)O,Alcohols,,C4H10O,NREL (2014),"Blend, IQT",PubChem,,5.6,0,0.5732999999999988,0.32867288999999866,22.0651,14.509930000000002,0,0,15,5,10,0,4,0,1,0,0,0.0,0.0,0.0,0.0,0.0,843.1851250000002,750.0471359999998,1139.499785999999,399.3917759999998,36.578304,0.0,0.0,0.0,0.0,2221.295828270979,2687.923385283945,3605.8590750590142,3147.591619410093,1119.0147995134885,0.0,0.0,0.0,0.0,110.69841999999997,106.18528800000001,184.3656960000001,234.71078400000007,241.86470400000016,0.0,0.0,0.0,0.0,16.244933048490005,20.262706776,27.521679243640985,28.197342383999995,16.00606457456401,0.0,0.0,0.0,0.0,2541.80523040499,2097.0136027972508,4035.897398862242,4882.23199223625,6657.035472872964,0.0,0.0,0.0,0.0,59.5625,39.0,69.5,96.0,36.0,0.0,0.0,0.0,0.0,56.21234166666668,53.57479542857141,45.57999143999996,13.313059199999994,1.016064,0.0,0.0,0.0,0.0,148.0863885513986,191.9945275202818,144.23436300236057,104.91972064700309,31.083744430930235,0.0,0.0,0.0,0.0,7.379894666666664,7.58466342857143,7.374627840000004,7.823692800000003,6.718464000000004,0.0,0.0,0.0,0.0,1.0829955365660002,1.4473361982857145,1.1008671697456394,0.9399114127999998,0.4446129048490003,0.0,0.0,0.0,0.0,169.45368202699936,149.78668591408933,161.43589595448967,162.74106640787502,184.917652024249,0.0,0.0,0.0,0.0,3.970833333333333,2.7857142857142856,2.78,3.2,1.0,0.0,0.0,0.0,0.0,0.20974541541584596,-0.11911992853684339,0.07812742568509984,-0.13081193077270145,0.06693172591652208,0.0,0.0,0.0,0.0,476.9038497333333,-65.66428988444412,245.6175854444446,-975.4218618666661,557.0166414399989,0.0,0.0,0.0,0.0,665.157589150708,-80.97945498155484,177.3049009910116,-1194.0226199860979,765.1183794012871,0.0,0.0,0.0,0.0,1.034995733333333,-0.10335015111110998,0.19091671111111128,-1.0555738666666614,0.4505094399999935,0.0,0.0,0.0,0.0,2.8968984481633338,-0.28801826802177827,-0.04520243352922229,-3.8682196203266646,2.7529910977960026,0.0,0.0,0.0,0.0,16.061086142163315,-1.4774818384050803,-1.6629024046958703,-18.826836538576618,13.936677710595912,0.0,0.0,0.0,0.0,23.524999999999988,-6.415000000000001,10.9875,-27.225000000000005,10.890000000000006,0.0,0.0,0.0,0.0,0.01398302769438973,-0.008508566324060243,0.0031250970274039934,-0.004360397692423382,0.00185921460879228,0.0,0.0,0.0,0.0,31.79358998222222,-4.6903064203174365,9.824703417777783,-32.5140620622222,15.472684484444414,0.0,0.0,0.0,0.0,44.343839276713865,-5.784246784396774,7.092196039640465,-39.800753999536596,21.25328831670242,0.0,0.0,0.0,0.0,0.06899971555555554,-0.00738215365079357,0.007636668444444451,-0.03518579555555538,0.01251415111111093,0.0,0.0,0.0,0.0,0.19312656321088892,-0.02057273343012702,-0.0018080973411688916,-0.1289406540108888,0.07647197493877785,0.0,0.0,0.0,0.0,1.070739076144221,-0.1055344170289343,-0.06651609618783481,-0.6275612179525539,0.387129936405442,0.0,0.0,0.0,0.0,1.5683333333333325,-0.4582142857142858,0.4395,-0.9075000000000002,0.30250000000000016,0.0,0.0,0.0,0.0,-0.6084924173806828,0.22349215747157855,-0.3118350179748883,0.13296223460518738,0.0,0.0,0.0,0.0,-0.14752364935636647,0.3090152267570724,-1.0226609225445393,0.4866605027332918,0.0,0.0,0.0,0.0,-0.1304408206132534,0.1599364456330412,-0.8975486707673739,0.4792839019661315,0.0,0.0,0.0,0.0,-0.1069881751157334,0.11067681051954108,-0.5099411681954735,0.1813652565137763,0.0,0.0,0.0,0.0,-0.10652461830256958,-0.009362240548932147,-0.6676484677568105,0.3959681861851005,0.0,0.0,0.0,0.0,-0.0985622168651661,-0.062121666865248094,-0.5861009763577787,0.3615539444021359,0.0,0.0,0.0,0.0,-0.2921663883406712,0.28023379383634445,-0.578639744952179,0.1928799149840597,0.0,0.0,0.0,0.0,1.4826866990889698,0.5435110252598314,2.013787531972681,0.2844717950577296,0.0,0.0,0.0,0.0,1.3946504172107372,0.738816233832077,2.233482943774926,0.0,0.0,0.0,0.0,0.0,1.6116802173128446,0.99118412691306,1.921895792826456,0.0,0.0,0.0,0.0,0.0,1.046261317921053,0.733292452864218,2.4006676742499935,0.0,0.0,0.0,0.0,0.0,1.6965599023193287,1.1912271760044217,1.7155827322472943,0.0,0.0,0.0,0.0,0.0,1.7047907970940608,1.2438077227986544,1.6679245256905613,0.0,0.0,0.0,0.0,0.0,1.2380446333687574,0.5787460148777899,2.4399574920297566,0.0,0.0,0.0,0.0,0.0,12.257161349437915,6.253580674718958,8.253580674718958,12.407161349437915,2.4814322698875833,6.257590792621475,0.2500000000000018,2.7755575615628914E-16,5.551115123125783E-17,-17.910254918901472,4000000.0,800000.0,7.600902459542082,12.259940095159774,6.254602837129234,8.254602837129234,12.40949944261899,2.481899888523798,6.258607840302132,0.24926557909869373,2.7755575615628914E-17,5.551115123125783E-18,-19.061547465398498,4000000.0,800000.0,7.600902459542082,14.759442816529567,7.180224169235771,10.119527483531176,14.52004612969475,2.90400922593895,7.181632639666769,-0.39899447805802435,0.10295818655081113,0.020591637310162225,-1.1367161644961197,19.065350523072237,3.8130701046144475,1.473936289412434,12.26285657114683,6.255675685682885,8.255675685682885,12.411953451278194,2.482390690255639,6.259675329240801,0.2484948002189391,5.551115123125783E-17,1.1102230246251566E-17,-18.714973875118524,4000000.0,800000.0,7.600902459542082,17.457581476932134,8.187643606296486,12.812946291162536,16.808204918328634,3.361640983665727,8.188145484146746,-1.0822942643391595,0.1922949315202246,0.038458986304044915,-0.8243624919419384,15.054728949035756,3.010945789807151,1.3558460788610935,12.548802689408122,6.360968437643212,8.360968437643212,12.652683200935101,2.5305366401870204,6.364482684205861,0.1731341858783022,2.7755575615628914E-17,5.551115123125783E-18,-19.061547465398498,4000000.0,800000.0,7.600902459542082,14.432748872420941,7.480957769543803,10.015332769543805,14.75024887242094,2.950049774484188,7.482133550508397,0.529166666666665,1.388188628868717E-16,2.776377257737434E-17,-18.256680867646164,4000000.0,800000.0,7.600902459542082,0,11.996461491259481,15.997941969829796,-0.41569096484912016,0.08265241829830589,4.576436188204859,6.860312569026865,4.0,14.0,14.0,14.0,4.0,0.0,0.0,0.0,0.0,0.0,10.932069999999998,3.4582709957412465,2.3335527931030464,2.3335527931030446,2.007291586904503,0.4228032402674571,0.08392307051869177,0.08392307051869147,0.08392307051869127,1.8140530028688708,1.2496297225843562,1.2496297225843558,0.5744377055659488,0.08392307051869065,0.08392307051869094,0.08392307051869115,0.08392307051869127,3.4345339879059624,2.405454587841289,2.4054545878412887,1.7321334598164952,0.5209968738775556,0.27091390189293757,0.2709139018929374,0.27091390189293724,1.778993290063714,1.134540685948351,1.1345406859483507,0.6520441233335703,0.27091390189293696,0.27091390189293707,0.2709139018929371,0.27091390189293724,3.590479276998698,2.7042369872335206,2.704236987233519,2.2931611343027094,0.9626565170665847,0.9439184268026223,0.9439184268026221,0.9439184268026221,1.5724922211965549,0.7603185604308975,0.7603185604308973,0.055305071337495126,0.9439184268026207,0.9439184268026212,0.943918426802622,0.9439184268026221,3.441393985084504,2.4575399160416938,2.457539916041692,1.6727637811520528,0.5996208838421822,0.39927724550898264,0.39927724550898236,0.39927724550898225,1.757873253534092,1.0582626705327107,1.0582626705327105,0.6771113845685965,0.3992772455089818,0.39927724550898186,0.3992772455089822,0.39927724550898225,3.6366315642282996,2.838982085149649,2.838982085149649,2.352183550826985,1.2076448229620884,1.2076448229620882,1.207644822962088,1.2076448229620875,1.5247833048038317,0.6313372621875606,0.6313372621875601,0.022173742949975993,1.1384701659179561,1.2076448229620875,1.2076448229620875,1.2076448229620875,4.092326462720444,3.0629526422151434,2.581467582900623,2.581467582900623,0.5996667507100985,0.551724137931035,0.5517241379310348,0.5517241379310346,1.6610874961523154,0.9262951691075204,0.9262951691075196,0.1130381922307666,0.5517241379310337,0.551724137931034,0.5517241379310341,0.5517241379310346,0,0,0,0,0,3,0,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.5,0.0,0.0,1.1708203932499368,0.22360679774997896,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.5,2.0,3.0,0.0,0.0,0.0,0.0,0.0,0.9,0.5,0.5,0.0,0.0,0.0,0.0,0.0,3.947213595499958,1.723606797749979,2.170820393249937,0.0,0.0,0.0,0.0,0.0,0.7894427190999915,0.43090169943749473,0.3618033988749895,0.0,0.0,0.0,0.0,0.0,7.423938123346227,14.769847050254914,13.9764705882353,14.200000000000006,8.473011976047902,116.5531017964072,0.4949292082230818,0.9846564700169942,0.9317647058823533,0.9466666666666671,0.5648674650698601,7.770206786427147,0.7772,21.971799999999995,6.605551275463987,8.605551275463988,13.211102550927974,2.642220510185595,6.6081882352653345,1.1102230246251565E-16,2.2204460492503132E-17,-18.36840028483855,4000000.0,800000.0,7.600902459542082,12,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6166666666666667,0.0,8.520833333333332,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6166666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.229166666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.520833333333332,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6166666666666667,0.0,8.520833333333332,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6166666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7430555555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.520833333333332,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6166666666666667,0.0,8.520833333333332,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6166666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7430555555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.520833333333332,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.25,2.65,0.6166666666666667,8.520833333333332,0.25,-0.5,2.1365,1.75,2.520833333333333,5.041666666666667,1.75,2.520833333333333,5.041666666666667,2.33333,0.46667,0.0,0.03333,0.48444,0.85333,0.41765,0.48444,0.76111,0.0668,0.0,-0.0668,0.09222,0.54687,0.16742,0.0,0.78571,0.0,0.21429,2.25,0.45,2.25,0.45,0.0,0.0,-2.25,-0.45,0.0,0.0,4.22847,0.84569,5.0,0.77153,0.15431,1.72847,0.34569,2.0,0.27153,0.05431,0.414,0.0828,0.414,0.0828,0.0,4.01,1,1,1,1,1,1,1.0,1.1589385323502772,1.6879430945989002,1.6879430945989002,1.4274837215583323,0.7026387295402917,-0.0,17.38407798525416,25.319146418983504,25.319146418983504,21.412255823374984,10.539580943104376,-0.0,0.29663961761636337,0.432042580484902,0.432042580484902,0.3653759138182353,0.17984602136801123,-0.0,2.7479520632582415,2.2189475010096187,2.2189475010096187,2.4794068740501864,3.204251866068227,3.9068905956085187,0.30439466665848786,0.4433374689656428,0.4433374689656428,0.3749279357404587,0.18454773561288204,-0.0,10.661101907048607,13.572302238062482,13.57230223806248,10.446789761575667,0.7081369000833837,-0.0,18.187524801026772,16.24544594570054,16.24544594570054,14.682689707457131,4.2400735815380814,-0.0,5.0,1.0,0,5,0,3,1.7899999999999998,0.7309000000000002,1.5000000000000004,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.436,0.422,0.37000000000000005,0.184,2.208,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,1.6094379124341003,1.9459101490553132,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.772588722239781,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,1.0,0,1.0,2.0,1.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.75,6.605551275463987,8.605551275463988,13.211102550927974,2.642220510185595,6.6081882352653345,1.1102230246251565E-16,2.2204460492503132E-17,-18.36840028483855,4000000.0,800000.0,7.600902459542082,20.23,86.53062390482788,3.321928094887362,3.044522437723423,3.4965075614664802,4.394449154672439,4.859812404361672,5.771441123130016,6.240275845170769,7.155396301896734,7.6251071482389,8.54110501146255,60.128616988122985,2.1972245773362196,0.0,3.4965075614664802,0.0,4.859812404361672,0.0,6.240275845170769,0.0,7.6251071482389,7.913521017283895,74.07316494,4.938210996,8.5,1.7,2.25,2.25,0.0,16.0,0.0,0.8009999999999999,20.0,1.209285714285714,2.09502115222636,2.9066389847308844,3.3032863320799524,0.0,0.0,0.0,0.0,0.0,0.0,76.0732148847857,109.12879649095059,38.64823640963582,3.3563503237184844,0.0,0.0,0.0,0.0,0.0,0.0,256.14635801683306,331.35406112738843,305.3546484556424,102.67850812855824,0.0,0.0,0.0,0.0,0.0,0.0,9.195663069428571,15.611118582894967,22.712535920647856,22.193010303771207,0.0,0.0,0.0,0.0,0.0,0.0,1.8770259697201428,2.457226319104364,2.7388970285596312,1.4686837316540657,0.0,0.0,0.0,0.0,0.0,0.0,178.75592203578088,333.93413941169143,472.6465290402519,610.8359524920184,0.0,0.0,0.0,0.0,0.0,0.0,3.401678571428571,6.357069850930888,9.253462050741664,3.3032863320799524,0.0,0.0,0.0,0.0,0.0,0.0,0.41714457857142867,0.5772712519019231,0.6673197364201494,0.3382565204049872,0.0,0.0,0.0,0.0,0.0,0.0,320.603162765344,160.27973377298645,16.502673589878793,106.4546996626047,-53.22009544021224,-12.635535051062666,214.1484631027393,213.4998292131987,29.138208640941457,0.7507253488850933,0.3753115160127233,0.03864271107445786,0.24927465111490663,-0.1246203386530351,-0.029587407615506617,136.91610137820754,68.44872049561229,7.0475965076398,45.46231648332124,-22.72806019690846,-5.396104589540244,0.42100821073367156,0.7802847328899652,17.8913563662138,19.28836902403225,359.8417531834509,67.21610924449777,0.8426065525117497,0.15739344748825032,283.9246063397544,16.850062502547413,6.572556741551606,389.138863139799,19.726602929541595,7.300762184381672,454.6662313931703,21.322903915582657,7.689490533449346,1.1747921229991687,1.1747921229991687,109.59085811167161,106.5539725667708,105.15077684363206,1.028500913403278,1.0422258532111686,1.0133446063382432,3.014038931158436,2.1518300908516808,4.1017130454081165,0.9061509841535325,3.224442390516313,3.22844615406569,2.187503163203247,7.030466168513002,7.5144728833333225,2.276299340854652,2.497794443970347,7.734888642946028E-7,5.410514064683889E-35,7.299603476207592E-85,1.8994868115212248E-156,9.533438509974838E-250,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.29051015711751155,3.355247217711874,0.12531113919087297,4.40225408253039,0.3571904146151422,0.016400028226524345,0.017592170501758278,5.4477453157644884E-9,3.81066929497943E-37,5.141170413709028E-87,1.3378240925624895E-158,6.714478693007166E-252,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8183531198523748,3.1190278482492806,0.4429125052210452,4.416022070330331,1.1294476791851167,0.1680120730442802,0.18332398026307273,5.6769706423982134E-8,3.9710112095155334E-36,5.357495957407231E-86,1.3941158512298216E-157,6.997004487141829E-251,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.2665686545142867,3.354973373621983,2.0247037433980446,7.264462038113719,7.305800494043427,2.0283960880579284,2.225489880429244,6.89164652546878E-7,4.820670623213636E-35,6.503815278579818E-85,1.6924085515739418E-156,8.494122076722548E-250,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1392011093954686,3.029276935039317,0.6916177531265257,4.569221517083994,1.7441087394704753,0.364039544797982,0.39820418209665065,1.233113882973134E-7,8.625566979904172E-36,1.1637197123606138E-85,3.0282059198709767E-157,1.5198428732185574E-250,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.074611355723917,3.308715009667902,2.831796337870938,7.978389434556343,10.437332863349646,3.318570025251726,3.6427984498802086,1.1280608148736164E-6,7.890726274719634E-35,1.0645785641832773E-84,2.7702229978455185E-156,1.3903624099252304E-249,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.832813374766065,3.0392448644394077,0.7748089753569295,9.233291292422729,5.008010027743825,0.6943649733593144,0.7603274407329474,2.354496424012108E-7,1.6469579079180447E-35,2.2219958262891125E-85,5.782028819850577E-157,2.9019741481017346E-250,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.40333272637746,1.329464701791159,0.8099490174421069,0.3961143558879621,0.3752638587608478,0.5326308210890605,0.4998063822985188,0.43496383834310687,3.542746445610726,4.079107916400673,9.132961117720878,0.1570673219732149,1.4674010417306862,0.77335371877425,0.741257411727075,0.7302834316696866,0.34449445056624334,0.3301969830646361,0.26295322334598903,0.1859336870560602,0.1508102950494079,2.2448945621710115,1.6793495899557198,4.342882178942489,0.01674167584936495,0.5996972054514571,1.069035355800966,1.0314502024742147,0.6387219492637597,0.39027176760385274,0.37655058977292605,0.3139068156943274,0.30084632353730517,0.26016964093908207,2.73920750753894,2.4442829643749002,5.887781530546405,0.15023353606516815,0.8749227801707147,1.3589031650939196,1.2862041475702657,0.8487980538146292,0.3889353095053725,0.3681279292537085,0.4973874097530372,0.4678083693431463,0.4828670119325873,3.4939053664788147,3.9929888262103654,8.97044625285619,0.13559485813862154,1.4480627910287707,1.2074108796951475,1.1590031429577086,0.6212602614734102,0.4041306932653972,0.3879282119592412,0.40023186183407894,0.37985461192170805,0.2464372701067931,2.9876742841262667,2.8695519988756653,6.726613546824511,0.18808835783695774,1.02652374386258,1.4346577336196296,1.356059995190639,0.8447951721028172,0.39462319973044374,0.37300376374680294,0.5553453528628118,0.5200031610957806,0.47615756081375793,3.6355129009130858,4.3030668233531015,9.582113490940264,0.15144044521587008,1.5515060747723504,1.3651267796100852,1.2925885875204746,0.8435843075122449,0.38989144216835786,0.36917393757572087,0.5023353131879091,0.4724640953911587,0.47599833699885785,3.5012996746428047,4.006554273388059,8.996398356666825,0.13859806961611812,1.4507977455779257 +UMLCN0346,L,dimethoxymethane,COCOC,Ethers,,C3H8O2,NREL (2014),Blend,PubChem,,49,0,-0.09810000000000069,0.009623610000000135,18.8655,12.218344000000002,0,0,13,5,8,0,3,0,2,0,0,0.0,0.0,0.0,0.0,0.0,952.8568770000002,865.5126599999999,712.878611,505.3988579999998,253.218841,72.642528,9.144576,0.0,0.0,1952.0022146241447,2128.8109392674346,2101.147097734196,1752.8251678568297,1288.603618673293,688.4196982231118,279.75369987837234,0.0,0.0,103.07269199999998,97.076592,170.17367600000009,91.244088,144.989092,42.705792,60.46617599999999,0.0,0.0,13.210011238792003,14.26571448,14.680974193943005,13.8141231,11.332862774188005,6.68126586,4.001516143641,0.0,0.0,2230.6268560689923,1838.3536953632004,3585.306329113743,1837.9121339590004,3456.9118405578884,918.7352862774,1664.258868218241,0.0,0.0,42.75,39.5,60.25,31.0,37.0,12.0,9.0,0.0,0.0,73.29668284615386,72.126055,35.64393055,42.116571499999985,13.327307421052632,12.107088,1.016064,0.0,0.0,150.1540165095496,177.40091160561954,105.0573548867098,146.06876398806915,67.82124308806806,114.73661637051863,31.08374443093026,0.0,0.0,7.9286686153846135,8.089716000000001,8.508683800000004,7.603674000000001,7.631004842105263,7.117632,6.718463999999999,0.0,0.0,1.0161547106763078,1.18880954,0.7340487096971502,1.151176925,0.5964664617993687,1.11354431,0.444612904849,0.0,0.0,171.58668123607634,153.1961412802667,179.26531645568713,153.15934449658337,181.9427284504152,153.1225477129,184.917652024249,0.0,0.0,3.2884615384615383,3.2916666666666665,3.0125,2.5833333333333335,1.9473684210526316,2.0,1.0,0.0,0.0,0.3128384716650739,-0.09459966381550418,-0.07507051007111587,0.03221292172215015,-0.0562908579447146,0.012265691354275245,0.025063182922372362,0.0,0.0,507.43772123076934,11.197246863905534,-148.48617089349096,-173.4180712899407,24.698351739644878,-179.01669472189346,211.30647768639034,0.0,0.0,534.223548632559,-221.73218685452224,181.85816827414172,-406.922259903592,262.47306235445905,-296.056166476331,213.26760828956503,0.0,0.0,1.8124209230769222,-0.08359839053254399,-0.6909284970414182,0.011818224852070732,-0.5532527337278113,0.05361742011834274,0.3561335147928981,0.0,0.0,2.228247827843076,-1.8674022513037631,1.8824923680945735,-2.0704552086563788,1.5050504892856562,-1.136754083004497,0.5729447716628702,0.0,0.0,12.658920449919986,-11.741107535743968,11.80010870900697,-11.670460063911966,8.490883549503968,-5.799906296039981,2.5910214122249813,0.0,0.0,10.423076923076922,-0.044378698224851465,-5.131656804733729,0.9171597633136093,-2.4837278106508887,-1.4644970414201184,2.995562130177514,0.0,0.0,0.024064497820390298,-0.007883305317958682,-0.0037535255035557936,0.0026844101435125126,-0.002962676733932347,0.0020442818923792076,0.0027847981024858182,0.0,0.0,39.033670863905336,0.9331039053254612,-7.424308544674548,-14.451505940828392,1.2999132494549936,-29.836115786982244,23.478497520710036,0.0,0.0,41.09411912558146,-18.477682237876852,9.092908413707086,-33.91018832529934,13.814371702866266,-49.34269441272183,23.696400921062782,0.0,0.0,0.13941699408284017,-0.0069665325443786655,-0.03454642485207091,9.848520710058943E-4,-0.029118564933042698,0.008936236686390457,0.039570390532544235,0.0,0.0,0.171403679064852,-0.1556168542753136,0.09412461840472867,-0.17253793405469822,0.07921318364661349,-0.18945901383408284,0.06366053018476335,0.0,0.0,0.9737631115323067,-0.978425627978664,0.5900054354503486,-0.9725383386593305,0.4468886078686299,-0.9666510493399968,0.2878912680249979,0.0,0.0,0.801775147928994,-0.0036982248520709554,-0.2565828402366864,0.07642998027613411,-0.13072251635004678,-0.2440828402366864,0.33284023668639046,0.0,0.0,-0.32759068470063857,-0.15597772002436558,0.11155064043089907,-0.12311400620303059,0.08495011645940309,0.11572226120281666,0.0,0.0,0.023905102560781898,-0.1902026732397298,-0.37023179273133094,0.033302357187651316,-0.7643686880234438,0.6014934542684978,0.0,0.0,-0.4496429813085914,0.221270308433176,-0.8251834823778943,0.33616420054291163,-1.2007239834471974,0.5766372762157971,0.0,0.0,-0.04996903419277009,-0.24779206494398937,0.0070640747742754025,-0.2088595090189704,0.06409718374132091,0.28382759786824774,0.0,0.0,-0.9078968148427823,0.5491400121529239,-1.0066174483303656,0.4621440104365702,-1.105338081817949,0.37140702307023915,0.0,0.0,-1.0047881424045941,0.6059024299266381,-0.9987422270791827,0.4589294897045434,-0.992696311753771,0.2956481557120954,0.0,0.0,-0.004612546125461192,-0.3200184501845019,0.0953259532595326,-0.16304136725577792,-0.30442804428044284,0.4151291512915129,0.0,0.0,1.3291893641708812,1.7550216019786617,0.6025047866817963,1.036662013768143,0.0037766480999776625,0.0,0.0,0.0,1.0170160837635163,1.3286167243632956,1.2242570132413924,0.8391263522294498,1.4314979427192684,0.0,0.0,0.0,1.8146092686523272,0.4686086584424364,2.1715361382470038,0.29596336322680195,2.52846300784168,0.0,0.0,0.0,0.9621341145408911,1.8668577243391247,0.5203228389126114,1.1790680364247104,0.07851156328433125,0.0,0.0,0.0,2.4829128386277635,0.024612521938409064,2.596455094425182,0.01554475069794257,2.7099973502226002,0.0,0.0,0.0,2.605721475957649,9.110597949980478E-5,2.598448156371255,5.754061863145566E-5,2.5911748367848615,0.0,0.0,0.0,0.911439114391144,1.8132841328413287,0.47970479704797053,1.1361429403767722,0.5756457564575647,0.0,0.0,0.0,12.091684440121565,6.295842220060782,10.157397718742008,12.391684440121566,2.4783368880243133,6.30087371383736,0.5,0.0,0.0,0.0,2000004.3038655478,400000.86077310954,7.254329945227339,12.10484348129382,6.301687319745604,10.167267124300972,12.403962176212252,2.48079243524245,6.306686204640422,0.49853115819738747,5.551115123125783E-16,1.1102230246251565E-16,-17.5636813286215,2000004.303560187,400000.8607120374,7.254329945150999,23.745631217337774,11.473821130610862,18.914564575814033,23.266837843668142,4.6533675687336284,11.473838973052107,-0.7979889561160523,3.3306690738754696E-16,6.661338147750939E-17,-17.819094140504497,2000004.1723243431,400000.83446486865,7.254329912342108,12.118654103603848,6.307821852020861,10.177625298786783,12.416847863866572,2.4833695727733147,6.312786742132927,0.49698960043787377,3.3306690738754696E-16,6.661338147750939E-17,-17.819094140504497,2000004.303240465,400000.860648093,7.254329945071069,36.034825823588264,16.935118647454985,28.16374899332765,34.73607270638129,6.947214541276258,16.935118704950114,-2.1645885286782978,1.1102230246251565E-16,2.2204460492503132E-17,-18.36840028483855,2000004.1304254686,400000.8260850937,7.25432990186741,13.469546406345081,6.907907389050841,11.191167204146376,13.677307429399042,2.7354614858798083,6.91045835060347,0.34626837175660174,1.1102230246251565E-16,2.2204460492503132E-17,-18.36840028483855,2000004.275331851,400000.8550663702,7.25432993809393,8.949249026248378,4.923037211536888,7.8520472751039385,9.487344264343617,1.8974688528687236,4.94695322150683,0.8968253968253981,5.551115123125783E-16,1.1102230246251565E-16,-17.5636813286215,2000004.253985216,400000.8507970432,7.254329932757282,0,11.996548717499213,15.998257667556485,-0.3864607409759526,0.14643157700689996,3.9635852356777317,4.81051011332134,4.0,12.0,12.0,12.0,4.0,0.0,0.0,0.0,0.0,0.0,12.577656,3.2825359644430034,2.7923952454984864,2.2284216584698124,1.018637611975961,0.6456084216294922,0.08392307051869127,0.08392307051869123,0.08392307051869116,1.553809786818035,1.3950808135147437,1.1028811432458783,0.0839230705186909,0.0839230705186911,0.08392307051869116,0.08392307051869123,0.08392307051869127,3.103496184591065,2.7220878085447904,2.2899614586113244,0.607375549132887,0.4662349015648598,0.2709139018929381,0.27091390189293724,0.2709139018929372,1.5988239692500579,1.3437503513678872,1.0042416673144616,0.27091390189293707,0.2709139018929371,0.2709139018929372,0.27091390189293724,0.2709139018929381,3.4130261607168895,3.0283146380231623,2.5864541870205,1.2323294533668112,1.1088833564622547,0.9439184268026225,0.9439184268026224,0.9439184268026221,1.2601456133169473,0.9860628823586546,0.6297184550487536,0.9439184268026216,0.9439184268026218,0.9439184268026221,0.9439184268026224,0.9439184268026225,3.065180826540806,2.730940908725636,2.3365820482705693,0.46016391745763585,0.4341539739510709,0.3992772455089827,0.399277245508982,0.399277245508982,1.6225070485835749,1.3115880597162077,0.9346157882028213,0.3992772455089818,0.39927724550898197,0.399277245508982,0.399277245508982,0.3992772455089827,3.433473514840557,3.1067444809930955,2.7152393685072607,1.2089507309389211,1.2083910426680151,1.207644822962088,1.207644822962088,1.2076448229620877,1.2248914288146182,0.898664315774719,0.5075367780818336,1.2076448229620866,1.2076448229620873,1.2076448229620877,1.207644822962088,1.207644822962088,3.5553472151623984,3.102302771939383,2.407157339541028,1.5272858792503772,1.1081821703406143,0.5454545454545455,0.5454545454545454,0.5454545454545452,1.3043569802772204,1.0841341057352154,0.8572388356759151,0.5454545454545446,0.5454545454545451,0.5454545454545452,0.5454545454545454,0.5454545454545455,0,0,0,0,0,0,0,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.121320343559642,2.414213562373095,1.3535533905932737,0.7071067811865475,0.35355339059327373,0.0,0.0,0.0,0.8242640687119284,0.6035533905932737,0.45118446353109126,0.35355339059327373,0.35355339059327373,0.0,0.0,0.0,3.5236033621142737,1.393846850117352,0.6952013993873838,0.23570226039551587,0.11785113019775793,0.0,0.0,0.0,0.7047206724228547,0.348461712529338,0.2317337997957946,0.11785113019775793,0.11785113019775793,0.0,0.0,0.0,6.5969094239772055,13.212672978878366,12.600000000000003,12.840000000000003,7.154697005988021,101.67936766467066,0.5074545710751697,1.0163594599137205,0.9692307692307695,0.987692307692308,0.5503613081529247,7.8214898203592815,0.23670000000000002,18.885000000000005,8.288215751900175,13.524283729399965,16.576431503800354,3.3152863007600706,8.288774052044314,2.220446049250313E-16,4.4408920985006264E-17,-18.021826694558577,2000004.2294850536,400000.8458970107,7.254329926632255,24,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.173611111111111,0.0,0.38888888888888884,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.9375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.46875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5868055555555556,0.0,0.38888888888888884,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.46875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.46875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5868055555555556,0.0,0.38888888888888884,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.46875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.5,2.5,0.7,4.46875,0.4375,0.38888888888888884,1.5584444444444445,1.1111111111111112,0.96875,3.875,1.1111111111111112,0.96875,3.875,2.16666,0.43333,0.0,0.06667,0.5718,1.00667,0.41765,0.5718,1.00667,0.15415,0.0,-0.15415,0.0,0.43046,0.28383,0.0,0.46154,0.0,0.0,3.0,0.6,3.0,0.6,0.0,0.0,-3.0,-0.6,0.0,0.0,2.3199,0.46398,4.09272,1.77282,0.35456,1.31412,0.26282,2.41421,1.10009,0.22002,-2.1E-4,-4.0E-5,-2.1E-4,-4.0E-5,0.0,4.02,2,2,2,2,0,0,1.0,1.3346791410515946,1.5465935642949384,2.045841640885174,2.045841640885174,1.7611924317973977,0.9302879031386,17.35082883367073,20.1057163358342,26.595941331507262,26.595941331507262,22.89550161336617,12.0937427408018,0.3606812278304233,0.41794859046423444,0.5528644692833689,0.5528644692833689,0.4759413923602919,0.2513992860302365,2.365760577089498,2.1538461538461537,1.6545980772559181,1.6545980772559181,1.9392472863436945,2.7701518150024924,0.37229933110405156,0.4314113645495102,0.5706730936442513,0.5706730936442513,0.49127220478404265,0.259497248005094,12.937780825704762,15.480753904624887,15.98390861339038,15.983908613390378,12.568118104337064,5.5042914161104095,18.882921744786263,16.788877268136737,17.26047701726383,17.26047701726383,15.55258176273717,8.074441004807994,5.0,4.0,4.0,5,0,0,1.57,0.6487,0.25,0.9999999999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.507,0.516,0.497,0.068,1.991,3.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,0.0,0.0,0.0,0.0,0.0,2.772588722239781,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.5,4.0,1.0,0,2.0,4.0,1.0,0.5,0.22222222222222232,0.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.125,0.07407407407407411,0.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2615740740740741,8.288215751900175,13.524283729399965,16.576431503800354,3.3152863007600706,8.288774052044314,2.220446049250313E-16,4.4408920985006264E-17,-18.021826694558577,2000004.2294850536,400000.8458970107,7.254329926632255,18.46,78.0248659795223,3.321928094887362,2.70805020110221,3.2188758248682006,3.7612001156935624,4.290459441148391,4.844187086458591,5.37989735354046,5.937536205082426,6.47543271670409,7.034387929915503,52.65002687451343,2.1972245773362196,0.0,3.044522437723423,0.0,4.04305126783455,0.0,5.10594547390058,0.0,6.192362489474872,6.60934924316738,76.052429496,5.850186884307693,8.849873734152917,1.7699747468305833,5.267766952966369,5.267766952966369,0.0,20.0,2.0,-0.033,14.0,1.2093333333333331,2.0039311501834076,2.7792461174986656,3.2965404510045344,4.892332333457272,5.264453405053932,0.0,0.0,0.0,0.0,98.78809682199999,77.23836135353035,135.90864235412107,55.743345277731805,59.23189808641252,5.34902158455272,0.0,0.0,0.0,0.0,226.61015665035862,223.0757553635787,425.64845980547847,257.6819673955114,561.3296581009712,163.638924211237,0.0,0.0,0.0,0.0,9.970451399999998,17.200986666153938,21.437883756710892,25.714320223403867,34.82182117125014,35.36904068153227,0.0,0.0,0.0,0.0,1.4521681046866668,1.533046505103615,3.2230502844210656,2.130619335804868,5.447828832550368,2.340643920863238,0.0,0.0,0.0,0.0,185.2793792155818,357.8105256030479,425.6906346449669,596.1673333194113,749.1263911571745,973.4903628536358,0.0,0.0,0.0,0.0,4.253666666666667,6.241436159497324,7.716769353980802,7.068744644552669,9.784664666914544,5.264453405053932,0.0,0.0,0.0,0.0,0.40240000000000004,0.4474183956730894,0.8033227337204895,0.5718373584270363,1.174159760029745,0.5390800286775227,0.0,0.0,0.0,0.0,358.8281314037396,256.90805530693234,21.199733790970008,76.03856862625003,-54.440884324402866,-27.22044216220143,282.78956277748955,311.3489396313352,48.42017595317144,0.8251451108557951,0.590774265514502,0.0487499589863009,0.17485488914420488,-0.12518982097421685,-0.06259491048710843,156.0424053814717,111.72075822244773,9.219058275193388,33.066641413501245,-23.674527712867466,-11.837263856433731,0.20447968548856105,0.5,3.8069213327955427,27.610259282078424,358.8281314037396,76.03856862625003,0.8251451108557951,0.17485488914420488,390.71959560521856,19.766628331741824,7.3106343762587604,468.2158842595197,21.63829670421218,7.7651297048128205,543.3194640670423,23.309214145205374,8.159904723367728,2.057179051977499,2.057179051977499,215.57793293124234,203.13159081440554,22.517272200499434,1.061272311544139,9.573892033265949,9.021145590179438,2.8677829441904574,2.999255684942301,5.948881151981046,0.9834524885114918,2.231204810914395,1.531124070725388,7.30434821392496,3.2519810289893787,7.9501921567880585,6.203546763057888,3.9401860341263184,1.1873811494498998,3.1179464142268705,0.15080853213831977,1.5400988270121818,1.2885981541928362E-13,2.079543457853065E-48,6.472832981966407E-105,3.8859455095478994E-183,4.499610448904143E-283,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.18725003725075293,2.0392831503699926,0.9612239043868395,0.2766440666242927,0.3634969340069699,1.3300985224193673,0.3775441477983291,1.0124784458957299,0.042079951680950176,0.001066304599181742,0.01084704196526665,9.075702162575753E-16,1.4646394608123088E-50,4.558869194502434E-107,2.7369031959188777E-185,3.1691124303563597E-285,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6044645714465469,1.094340756265877,1.4024389617003357,0.8839432047453825,1.3735336721787683,1.1830851786832994,0.6907763625420189,1.048179816161659,0.28053179776699294,0.011079149460122862,0.1130345403913928,9.457581393718719E-15,1.5262672424624192E-49,4.750693191333975E-106,2.8520641464930426E-184,3.302459492284032E-284,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.106075483282609,2.037337386653661,9.0296543576642,3.069826427694587,7.295212124797253,6.4530244054145065,4.729725350507345,1.1766737322744338,2.791887933973247,0.13437054303741694,1.3722003276332244,1.14811775605423E-13,1.852835781798134E-48,5.767177653008622E-105,3.462307488222188E-183,4.0090719010458075E-283,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8908693421117511,0.7352539455431316,1.4097533628768715,1.30084504597328,2.2268046646036224,1.310979575004528,0.7361094345596989,1.0726876874303655,0.559841863546667,0.024055186374000337,0.24552612615454972,2.054313057186477E-14,3.315256400572933E-49,1.0319140430687724E-105,6.195064437896729E-184,7.173383313765944E-284,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.694502939536524,1.8517605959530363,10.64438731594481,3.926440748466347,10.591618843440122,8.838431494098305,5.753410285785167,1.2270259003622122,4.481605956826105,0.21992654200464157,2.246089398287134,1.8792993034089266E-13,3.0328186945136806E-48,9.440018577173454E-105,5.667286318404547E-183,6.562258959259416E-283,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2446808545594619,2.7899379165923306,7.498027745232465,1.9362209387615095,2.960355003380017,4.489150800721361,3.6561921306418754,1.2994729704998103,1.0055165980174139,0.04488470582058435,0.4582112212598228,3.833845748011744E-14,6.187071444852096E-49,1.925801548353642E-105,1.1561490772208629E-183,1.3387270757070181E-283,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.01255775799954,0.3843360230769224,0.37221474784755204,0.8413643207454612,0.08058865105416978,0.6153790991977013,0.46152270022774944,0.5257931331484761,4.769108528924015,3.17875920111184,8.521886330509641,0.7620464811181917,1.6026949325739266,2.604948733296482,0.36384370148152045,0.06618489054997045,0.8583091252633921,0.11988349911055823,0.2593573196372788,0.5024090790888808,0.013686379969372324,3.034977325327973,1.1442833916535524,4.241990371663728,0.7874636878950882,0.7754527786955319,3.4132225363045112,0.3024121890466791,0.20518481374436082,0.8705380347833781,0.07712984135873774,0.4452760711064359,0.3470774038858231,0.1315410522755644,3.920819539095551,1.7945919179705687,5.927203242107326,0.8058070521750671,0.9238945272678234,3.836851273892106,0.3898490484289503,0.3569424682652556,0.8370746694685863,0.08505223165068741,0.5626652296618069,0.5767939727344813,0.39807722197382706,4.583642790586312,3.0044816637570726,8.122036434845958,0.7556120042028794,1.5375364243701153,3.7849708503016424,0.288886132980819,0.27882888271896933,0.8695713329247636,0.06636962599053871,0.5475518194395848,0.31672412680766404,0.24291056266670097,4.35268586600143,2.2293345833942837,6.8868990856578,0.8043569993871452,1.1071865089139497,4.03860286477496,0.4001237418861823,0.38738110803609827,0.8368240212451032,0.08290816648531509,0.6233937532552779,0.5002182426755508,0.5695142964808142,4.82610771469724,3.3354197214037162,8.787512408685297,0.7552360318676549,1.693126292411643,3.936558953025872,0.3775185638276173,0.36894890471530245,0.8406014826000371,0.0806142288860182,0.5922890007333484,0.5408843066295742,0.42530778646725675,4.683026421568791,3.077798257069083,8.30912853109898,0.7609022239000556,1.5584810938301794 +UMLCN0347,L,diethyl ether,CCOCC,Ethers,,C4H10O,NREL (2014),Other Ignition Delay Method,PubChem,,160,0,0.5513000000000005,0.3039316900000005,21.6001,14.50993,0,0,15,5,10,0,4,0,1,0,0,0.0,0.0,0.0,0.0,0.0,843.1851250000002,793.9270999999999,722.299459,445.91131400000006,269.39925700000015,84.835296,9.144576,0.0,0.0,2221.295828270979,2599.858971355489,2753.0665475554697,2171.0669859046975,1695.2180431782372,1061.4246313942745,279.75369987837234,0.0,0.0,110.69841999999997,106.32512,190.41698800000012,181.00013600000008,105.59069199999999,123.32735999999997,60.46617599999999,0.0,0.0,16.24493304849,19.391923100000007,22.29899828279199,18.575940014187996,15.702794719396001,12.016620718188005,4.001516143641,0.0,0.0,2541.80523040499,2091.5008461390003,4184.7848130275925,4196.196387499488,2397.6904413159964,3137.747110568388,1664.258868218241,0.0,0.0,34.75,34.5,55.25,45.0,25.0,24.0,9.0,0.0,0.0,56.21234166666668,56.70907857142856,28.89197836,18.579638083333336,17.959950466666676,4.713072,1.016064,0.0,0.0,148.0863885513986,185.7042122396778,110.1226619022188,90.46112441269572,113.01453621188247,58.96803507745969,31.08374443093026,0.0,0.0,7.379894666666664,7.594651428571429,7.616679520000004,7.541672333333337,7.039379466666666,6.851519999999998,6.718463999999999,0.0,0.0,1.082995536566,1.3851373642857148,0.8919599313116797,0.7739975005911665,1.0468529812930667,0.6675900398993336,0.444612904849,0.0,0.0,169.45368202699936,149.39291758135715,167.3913925211037,174.841516145812,159.84602942106642,174.319283920466,184.917652024249,0.0,0.0,2.316666666666667,2.4642857142857144,2.21,1.875,1.6666666666666667,1.3333333333333333,1.0,0.0,0.0,0.16906212124355627,-0.03380313384853888,-0.04427557750362607,-0.03457845329418614,0.011682181240752858,0.010692589530817299,0.005751333253002731,0.0,0.0,476.9038497333333,-21.784325884444122,-121.95986382222208,-86.57448170666669,-166.21173093333329,18.824317119999733,139.25416035999973,0.0,0.0,665.157589150708,-169.04386891001135,-190.4952259464647,154.2819614615859,-286.13138442436633,-32.469871606419076,191.27959485032179,0.0,0.0,1.034995733333333,0.036481848888889945,-0.29033315555555333,-0.5028625066666643,0.0046986666666655914,0.12188991999999767,0.11262735999999846,0.0,0.0,2.8968984481633338,-1.158801944021778,-0.9187477029768889,1.4044584885333335,-1.1755662896653334,-0.2880395503999998,0.6882477744490003,0.0,0.0,16.061086142163315,-6.990238496655076,-5.240349928176883,8.659843477066639,-6.183583692665313,-1.7603838583000109,3.4841694276489803,0.0,0.0,6.73333333333333,-0.8511111111111113,-0.5555555555555554,-3.106666666666667,-0.2833333333333331,0.22000000000000086,1.2100000000000004,0.0,0.0,0.011270808082903752,-0.0024145095606099196,-0.0017710231001450427,-0.001440768887257756,7.788120827168573E-4,5.940327517120721E-4,6.390370281114145E-4,0.0,0.0,31.79358998222222,-1.5560232774602945,-4.878394552888883,-3.607270071111112,-11.08078206222222,1.0457953955555408,15.472684484444414,0.0,0.0,44.343839276713865,-12.07456206500081,-7.619809037858588,6.428415060899412,-19.07542562829109,-1.803881755912171,21.25328831670242,0.0,0.0,0.06899971555555554,0.002605846349206425,-0.011613326222222133,-0.020952604444444346,3.1324444444437276E-4,0.006771662222222093,0.01251415111111094,0.0,0.0,0.19312656321088892,-0.08277156743012701,-0.03674990811907555,0.0585191036888889,-0.0783710859776889,-0.016002197244444433,0.07647197493877782,0.0,0.0,1.070739076144221,-0.49930274976107686,-0.20961399712707532,0.3608268115444433,-0.4122389128443542,-0.09779910323888949,0.38712993640544224,0.0,0.0,0.44888888888888867,-0.0607936507936508,-0.022222222222222213,-0.12944444444444445,-0.018888888888888875,0.01222222222222227,0.13444444444444448,0.0,0.0,-0.2142268365187049,-0.15713364002989622,-0.12783190669737354,0.06909993294076286,0.052705426917271106,0.05669842156932339,0.0,0.0,-0.048941414867914076,-0.15343956299419784,-0.11345903602355575,-0.34852251879759966,0.03289327805196929,0.4866605027332918,0.0,0.0,-0.27229401562758876,-0.1718346711097691,0.1449674896389755,-0.4301708183014299,-0.04067942210992627,0.4792839019661315,0.0,0.0,0.037766044805044335,-0.16830976952175394,-0.3036621857893636,0.004539793271932579,0.09814043677861031,0.18136525651377644,0.0,0.0,-0.4285871713035287,-0.19028924611963224,0.3030090874914376,-0.40580169125730164,-0.08285860307559283,0.3959681861851004,0.0,0.0,-0.46631598760651216,-0.19576571155122557,0.3369885526582225,-0.38500407991911983,-0.09133794163099791,0.36155394440213606,0.0,0.0,-0.13543140028288553,-0.04950495049504951,-0.2883663366336635,-0.04207920792079207,0.027227722772277346,0.2995049504950497,0.0,0.0,1.195073389664775,1.7150673065976887,1.7560540717609168,0.11113620224328297,0.08777495132442743,0.0,0.0,0.0,1.3026403316881816,1.2572530854914834,1.120815693174947,1.1846721492866525,0.5923360746433263,0.0,0.0,0.0,1.7440765326595578,1.1171923148243215,0.6144128262700291,1.5794672017365607,0.7897336008682805,0.0,0.0,0.0,0.9111573793283272,1.7307220332502502,1.933723591517543,0.10693248590525581,0.05346624295262791,0.0,0.0,0.0,1.9971516184535572,1.1254726876722922,0.4163602279215661,1.6212672783218876,0.8106336391609437,0.0,0.0,0.0,2.048027649785984,1.1469222919415156,0.3971548067805253,1.5884516767385728,0.7942258383692864,0.0,0.0,0.0,1.1509900990099016,1.4554455445544563,1.689356435643565,0.3811881188118814,0.3465346534653467,0.0,0.0,0.0,14.0290319110557,7.13951595552785,11.442291593259844,14.1790319110557,2.83580638221114,7.141457868551218,0.2499999999999991,4.440892098500626E-16,8.881784197001253E-17,-17.675253104278607,2000004.3851575572,400000.87703151145,7.254329965550297,14.036492437152194,7.142879008125442,11.448345821906981,14.186051784611406,2.8372103569222817,7.144813748123204,0.24926557909869107,2.220446049250313E-16,4.4408920985006264E-17,-18.021826694558577,2000004.3844977515,400000.8768995503,7.254329965385346,20.665522639787422,10.133264080864691,16.902572979118816,20.426125952952596,4.085225190590519,10.133343852950144,-0.39899447805803945,3.3306690738754696E-16,6.661338147750939E-17,-17.819094140504497,2000004.122035258,400000.8244070516,7.254329899769862,14.044322467901456,7.1464086340602,11.454700247503386,14.193419348032823,2.838683869606564,7.1483358749295896,0.24849480021894355,8.881784197001252E-16,1.7763568394002506E-16,-17.328679513998633,2000004.3838070421,400000.8767614084,7.254329965212669,27.706006489344123,13.311856112502484,22.759410624375015,27.05662993074063,5.411325986148126,13.311859173445775,-1.0822942643391542,1.1102230246251565E-16,2.2204460492503132E-17,-18.36840028483855,2000004.05645119,400000.811290238,7.254329883373879,14.810668278042318,7.491901231960311,12.078203246568085,14.9145487895693,2.98290975791386,7.493221272537201,0.1731341858783031,1.1102230246251565E-16,2.2204460492503132E-17,-18.36840028483855,2000004.3240940885,400000.8648188177,7.254329950284463,12.573237387400724,6.494952027033697,10.161618693700362,12.823237387400725,2.564647477480145,6.49888101489814,0.41666666666666874,5.551115123125783E-16,1.1102230246251565E-16,-17.5636813286215,2000004.472135955,400000.894427191,7.254329987294849,0,11.890000000000002,15.99491563608925,-0.3811880449166726,0.11945979404445514,4.559545341615024,5.299943910247673,4.0,14.0,14.0,14.0,4.0,0.0,0.0,0.0,0.0,0.0,12.848069999999998,3.329350335882746,2.902564077577703,2.095016804937339,1.5980269148552022,0.7162389024657672,0.0839230705186914,0.08392307051869126,0.08392307051869119,1.7172219831979683,1.5630263350622517,0.9235089456094874,0.7697185163332703,0.08392307051869098,0.0839230705186911,0.08392307051869116,0.08392307051869119,3.256161193986592,2.950308951251466,2.0500512424026605,1.695309721390301,0.4981352340917411,0.2709139018929375,0.2709139018929372,0.2709139018929371,1.6974470745895154,1.4734536838206145,0.8502736876887507,0.6303371850352761,0.27091390189293674,0.270913901892937,0.2709139018929371,0.2709139018929371,3.4838713125656455,3.1555984077028603,2.4334977073406314,2.0901173443416923,1.135422874453989,0.943918426802623,0.9439184268026223,0.9439184268026222,1.4279581642112222,1.1954927464150726,0.40633409431510603,0.1623861520242408,0.9439184268026215,0.9439184268026218,0.9439184268026221,0.9439184268026222,3.2535167714089464,2.9852679791261005,2.071087791998552,1.7652768165580863,0.43998228802141004,0.3992772455089821,0.39927724550898197,0.39927724550898197,1.6853504721079628,1.41513318105183,0.8004423673448998,0.5368571236143953,0.3992772455089813,0.39927724550898175,0.39927724550898186,0.39927724550898197,3.5302373766023414,3.2522175179205752,2.5467967446966338,2.262776160355087,1.208515408510604,1.2076448229620884,1.207644822962088,1.2076448229620877,1.3739977192424009,1.1044071629954386,0.286876091447798,0.00470313064394819,1.2076448229620864,1.2076448229620869,1.2076448229620877,1.2076448229620877,3.543902835973067,3.0614223622484196,2.4632560528504994,1.8381966288054257,1.2133248303217672,0.5714285714285718,0.5714285714285717,0.5714285714285715,1.5060266329733112,1.3253136534628127,0.5715999433148741,0.4314481947338825,0.5714285714285712,0.5714285714285713,0.5714285714285714,0.5714285714285715,0,0,0,0,0,4,0,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.121320343559642,2.414213562373095,1.3535533905932737,0.7071067811865475,0.35355339059327373,0.0,0.0,0.0,0.8242640687119284,0.6035533905932737,0.45118446353109126,0.35355339059327373,0.35355339059327373,0.0,0.0,0.0,3.822461852836958,1.9915638315627207,0.7814744144215573,0.4082482904638631,0.20412414523193154,0.0,0.0,0.0,0.7644923705673916,0.49789095789068016,0.26049147147385243,0.20412414523193154,0.20412414523193154,0.0,0.0,0.0,7.423938123346227,14.769847050254914,13.9764705882353,14.200000000000006,8.473011976047902,116.5531017964072,0.4949292082230818,0.9846564700169942,0.9317647058823533,0.9466666666666671,0.5648674650698601,7.770206786427147,1.0428,22.166999999999998,8.288215751900175,13.524283729399965,16.576431503800354,3.3152863007600706,8.288774052044314,2.220446049250313E-16,4.4408920985006264E-17,-18.021826694558577,2000004.2294850536,400000.8458970107,7.254329926632255,24,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.833333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5222222222222221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.9791666666666665,0.0,1.6875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.833333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.833333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9895833333333333,0.0,0.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.833333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.833333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9895833333333333,0.0,0.84375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.833333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.5,2.1,0.45,4.833333333333333,0.2777777777777777,0.84375,2.532375,0.65625,1.3333333333333333,2.6666666666666665,0.65625,1.3333333333333333,2.6666666666666665,2.33333,0.46667,0.0,0.03333,0.48444,0.85333,0.41765,0.48444,0.85333,0.0668,0.0,-0.0668,0.0,0.54687,0.16742,0.0,0.42857,0.0,0.0,2.5,0.5,2.5,0.5,0.0,0.0,-2.5,-0.5,0.0,0.0,3.20423,0.64085,4.09272,0.88849,0.1777,1.86119,0.37224,2.41421,0.55302,0.1106,-2.1E-4,-4.0E-5,-2.1E-4,-4.0E-5,0.0,4.01,1,1,1,1,0,0,1.0,1.1589385323502772,1.4256051990169438,2.072905595320056,2.0729055953200564,1.8124462222794882,1.4248608095316857,17.38407798525416,21.38407798525416,31.09358392980084,31.093583929800847,27.186693334192324,21.372912142975284,0.29663961761636337,0.36489509089898087,0.5305768217953362,0.5305768217953363,0.46391015512866957,0.36470455843664495,2.7479520632582415,2.481285396591575,1.8339850002884628,1.8339850002884623,2.0944443733290306,2.482029786076833,0.30439466665848786,0.3744345426684061,0.5444476907868097,0.5444476907868098,0.47603815756162554,0.3742390291162165,10.661101907048607,13.861101907048607,14.513467449666402,14.513467449666404,10.34744201590379,5.696417062930159,18.187524801026772,15.285474895079512,16.592368953317226,16.592368953317226,14.508693968992683,9.857669016019052,5.0,4.0,4.0,5,0,2,1.7899999999999998,0.7309000000000002,0.25,2.3094010767585034,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.296,0.29000000000000004,0.31200000000000006,0.05400000000000002,2.13,3.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,0.0,0.0,0.0,0.0,0.0,2.772588722239781,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.5,4.0,1.0,0,2.0,4.0,1.0,0.5,0.22222222222222232,0.125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.125,0.07407407407407411,0.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2615740740740741,8.288215751900175,13.524283729399965,16.576431503800354,3.3152863007600706,8.288774052044314,2.220446049250313E-16,4.4408920985006264E-17,-18.021826694558577,2000004.2294850536,400000.8458970107,7.254329926632255,9.23,86.53062390482788,3.321928094887362,2.70805020110221,3.2188758248682006,3.7612001156935624,4.290459441148391,4.844187086458591,5.37989735354046,5.937536205082426,6.47543271670409,7.034387929915503,52.65002687451343,2.1972245773362196,0.0,3.044522437723423,0.0,4.04305126783455,0.0,5.10594547390058,0.0,6.192362489474872,6.60934924316738,74.07316494,4.938210996,8.849873734152917,1.7699747468305833,2.7071067811865475,2.7071067811865475,0.0,20.0,2.0,0.8660000000000001,14.0,1.2128571428571426,2.0576119834672975,2.7732932478424357,3.6394298877880042,4.594067893547503,5.458298847150794,0.0,0.0,0.0,0.0,79.50058765442853,65.64067038050048,61.048508827659454,78.23780585456484,23.52604700558101,5.545980959831425,0.0,0.0,0.0,0.0,243.9931819109238,239.78650800442617,274.46056185147125,458.91517983399393,285.036654440494,169.66436639247658,0.0,0.0,0.0,0.0,9.308761902285713,15.771200203436852,20.994767276510412,25.770921775485217,31.543789133991293,36.67138430582411,0.0,0.0,0.0,0.0,1.760303352164286,1.9043821371443457,2.2756662514822192,4.133531239398674,3.1799726883021644,2.4268301059656614,0.0,0.0,0.0,0.0,180.03173268359836,341.81235742604855,482.4800000690213,570.2026207509932,795.4627114709596,1009.3358068617898,0.0,0.0,0.0,0.0,3.135214285714285,4.730213754610833,5.351369634521699,6.4292723774779805,6.29437798262418,5.458298847150794,0.0,0.0,0.0,0.0,0.4093210714285716,0.4762504720309922,0.5512673946015353,0.8831381165714789,0.7043952205562147,0.5589298019482413,0.0,0.0,0.0,0.0,374.2019077531629,173.7462631042473,13.459899541691668,104.59725754986236,-48.56571346565374,-11.417799089973357,269.60465020330054,222.31197656990105,24.877698631665027,0.7815425231920271,0.36287921052302946,0.028111785727890908,0.21845747680797273,-0.10143232692337124,-0.023846739755168937,179.1675610870141,83.18956574883345,6.4445886656245435,50.08107960785967,-23.25322306970091,-5.466832673876886,0.12067662509102771,0.8209545944814516,2.6642748969567105,17.090673846620255,457.9811152409322,20.81805006209317,0.9565202874802053,0.043479712519794635,319.5229360949092,17.87520450498145,6.836503063674472,416.39329691278573,20.405717260434287,7.467374112888245,445.61117906723075,21.10950447232788,7.638100337403202,1.867406767540263,1.867406767540263,233.28488641200943,218.881806932555,27.803242648625172,1.065802999716155,8.390563984217323,7.872528024833764,3.0878396124546583,3.0965690674687893,6.184431767287332,0.9971883825419198,2.789005726072236,2.6626367147646697,4.439855440310378,4.140717275021536,5.548591786924646,0.8010281534705564,2.1178966447966783,2.892728687013097,0.02876139982172959,1.3527868948100537,0.9219632469946056,9.466333817928835E-5,2.5933764008109367E-29,1.3703301042733433E-75,1.3965636940932336E-143,2.745188693404706E-233,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.234062163509984,2.916592310206861,0.4259167368129991,0.6992098607188938,0.20396670794422178,0.7766761866430985,0.08719584598949341,0.1808843801481136,5.616765476241109E-4,0.1133913476307124,0.0064934625331709,6.667216309715737E-7,1.8265362039072516E-31,9.651346969828973E-78,9.836112287927417E-146,1.9334588428785835E-235,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7555805087536172,2.4441296316001773,0.8550845903412615,1.2359105616864625,0.5965380057190911,0.7816469082596025,0.3411409035158795,0.6109668293456803,0.002446114432463672,0.36613247435214874,0.06766688608156914,6.947753439803254E-6,1.9033915511529056E-30,1.00574476653245E-76,1.0249987372263983E-144,2.0148131847398298E-234,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6325939714426836,2.9157298482941325,5.174489182127886,4.034806961259565,5.518358655357328,0.7995374495765005,1.9367762776422586,2.6830344770578143,0.025665344270726517,1.276824986535527,0.821452654467727,8.43433300423173E-5,2.3106516831603902E-29,1.220939452111328E-75,1.2443131083433022E-143,2.445913702702382E-233,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1135865395382187,2.2645970565835083,0.9819851624939813,1.6554261782237374,0.9354570023048796,0.7850591329675918,0.5631410794389662,0.9428636052940313,0.0048893178061486416,0.5397043554121391,0.1469815186669612,1.5091448876114826E-5,4.134420792898258E-30,2.1846120271899466E-76,2.2264342243803753E-144,4.376443469946205E-234,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.3681283266360325,2.8230117928915193,6.305415400399427,5.025669147050084,8.095409864739583,0.8065480402894433,2.852998608945774,3.7187239661509546,0.041779878630054376,1.6341384334058695,1.344596748185554,1.3805758212507712E-4,3.7821957509895665E-29,1.9984976713041242E-75,2.0367568965824012E-143,4.00359971217954E-233,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6392525610945332,3.1705556229825596,4.223301127567265,2.5682056395394413,3.096831744811723,0.7716610497933866,0.9957899570647192,1.5983786762047132,0.009745909072134363,0.8828636436811708,0.30104922350844276,3.091047777282884E-5,8.468167839382651E-30,4.474547279259896E-76,4.5602079807125994E-144,8.9638814478521E-234,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.098926725848083,0.6956758244767649,0.44320402,0.7825655015728976,0.1328181587342618,0.6163105585545363,0.44908071913437986,0.533312758789188,5.237806570324847,4.976511354080436,11.478124926035655,0.6738482523593464,1.5987040364781042,2.8647034744151463,0.29143507767260524,0.09040709067900657,0.8823850916119572,0.08976774385473898,0.30103614796036987,0.0788123419161422,0.022191138267382185,3.246545642766758,1.1202123838492661,4.442236653640818,0.8235776374179358,0.40203962814389427,3.5857489185818694,0.4683298757027772,0.24260061519488174,0.83453955411959,0.10899809622042701,0.4716491442321364,0.20352338302919526,0.1597932344236569,4.296679409479529,2.6628353548827945,7.36691721504698,0.7518093311793852,0.8349657616849885,3.981231869113625,0.6739531672768616,0.42486740711080445,0.783698970314107,0.1326665767277704,0.5814257239527463,0.4214732575958922,0.490096300743768,5.080052443501291,4.661000223884949,10.881041525779521,0.6755484554711605,1.4929952822924064,3.8662132545428856,0.5497563590147954,0.3132792933687941,0.8175110531569646,0.11624601915319371,0.548315987941249,0.2804472008779844,0.26646365024311375,4.7292489069264745,3.5089071620656562,8.90402347593867,0.7262665797354468,1.0952268390623472,4.1313068049546375,0.7194675838657834,0.4644551985973185,0.7772583925131485,0.13535964383719448,0.6260862922522542,0.4803226306848543,0.5856825009802485,5.315229587417739,5.225308707279357,11.921057675177472,0.6658875887697228,1.6920914239173572,4.049256351288514,0.6817687558023455,0.43126951762545906,0.7843907885267263,0.1320669983728041,0.60146428317463,0.4313052807411543,0.5049776046852259,5.162294624716319,4.801003380351726,11.153884986860986,0.6765861827900895,1.5377471686010102 +UMLCN0348,L,2-butoxyethanol,CCCCOCCO,Ethers,Alcohols,C6H14O2,NREL (2014),Blend appx. 20% (Method?),PubChem,,41,0,-1.1043,1.2194784900000002,30.042199999999998,21.499101999999986,0,0,22,8,14,0,6,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1391.7456239999985,1327.0675869999998,1332.1023779999987,1167.5068169999977,894.8863640000002,684.515879,499.91361400000005,309.2532690000003,68.61657600000001,3409.055386457718,4175.845756666993,4984.750045345029,4509.740285846832,3687.449623238332,3027.6334280695087,2348.4772730905756,1528.1813947210292,609.447463694361,166.00502400000002,162.2641,291.415296,336.85028399999993,263.5869440000002,230.58794000000017,174.87769600000007,152.30358,89.27884799999998,24.244388667885982,30.184464016000007,39.19402873479202,38.03973035298002,31.450666465583986,25.83745938788598,20.779348120489985,14.425496690188005,6.2747515067920006,3720.5158364844865,3142.9848065688507,6187.065788718092,7672.352051129981,6065.103751754135,5299.803481831336,4030.9082352687906,3661.458992375688,2188.016593995342,77.5,56.25,89.0,101.75,67.5,64.25,50.0,46.0,28.0,63.261164727272664,63.193694619047605,35.05532573684207,25.944595933333282,24.857954555555562,22.081157387096777,20.82973391666667,14.726346142857157,5.7180480000000005,154.95706302080538,198.8497979365235,131.17763277223762,100.21645079659628,102.42915620106479,97.66559445385512,97.85321971210732,72.7705426057633,50.787288641196746,7.54568290909091,7.726861904761906,7.668823578947369,7.485561866666665,7.321859555555561,7.438320645161296,7.28657066666667,7.252551428571429,7.4399039999999985,1.10201766672209,1.4373554293333337,1.0314218088103164,0.8453273411773339,0.8736296240439996,0.8334664318672896,0.8658061716870827,0.6869284138184765,0.5228959588993334,169.1143562038403,149.66594316994528,162.81752075573928,170.4967122473329,168.47510421539266,170.96140263972052,167.95450980286628,174.355190113128,182.33471616627853,3.522727272727273,2.6785714285714284,2.3421052631578947,2.261111111111111,1.875,2.0725806451612905,2.0833333333333335,2.1904761904761907,2.3333333333333335,0.3862904788228103,-0.13258361373397784,-0.14116303174004405,0.12519639706154068,-0.04170891978105416,-0.03151761954911637,0.018877529520116444,0.016974066556521172,-0.0217036345539467,756.9471250909094,-35.00554913223088,-303.4847151570242,12.721221495867809,18.186476396694076,-67.31592635537191,-77.41228246280997,32.47628704958652,-15.763041322314223,984.5731867127781,-131.92223328997002,-391.53033691763056,30.561086815193818,-31.446100856453953,34.661390990721394,-151.3247800740499,-5.99376463566275,82.01462449174511,1.975697454545453,-0.11200538842974975,-0.6090934214875994,0.45403447933884317,-0.07551801652892753,-0.37549550413223093,-0.07083358677686113,-0.02411811570248112,-0.23240370247933878,4.276936093049454,-0.8890113614016544,-1.5596444273739638,0.4803626483656592,-0.4160777517074723,0.4350030806460397,-0.7407919718861329,-0.2715595696658456,0.57804610444284,23.906329579285817,-5.411859017431893,-8.402741145814074,3.4407010959049322,-2.787932824076064,2.682622909535724,-4.165403624403073,-1.9245443635050756,3.4029128046503088,28.0,-3.0,-7.0,5.0,1.5,-4.0,-2.5,0.25,-5.0,0.01755865812830956,-0.006313505415903707,-0.0037148166247380015,0.002782142156923126,-0.0011585811050292823,-0.0010166974048102053,7.865637300048518E-4,8.082888836438653E-4,-0.0018086362128288916,34.40668750413224,-1.6669309110586135,-7.986439872553269,0.28269381101928465,0.5051798999081688,-2.171481495334578,-3.2255117692837487,1.5464898595041199,-1.3135867768595186,44.75332666876264,-6.282011109046191,-10.303429918885016,0.6791352625598626,-0.8735028015681654,1.1181093867974643,-6.305199169752079,-0.2854173636029881,6.8345520409787595,0.08980442975206605,-0.005333589925226178,-0.016028774249673666,0.010089655096418737,-0.0020977226813590983,-0.0121127581978139,-0.0029513994490358805,-0.0011484817001181486,-0.019366975206611566,0.19440618604770246,-0.042333874352459736,-0.041043274404577994,0.01067472551923687,-0.011557715325207564,0.014032357440194829,-0.030866332161922205,-0.012931408079325982,0.04817050870357,1.0866513445129917,-0.2577075722586616,-0.22112476699510722,0.07646002435344294,-0.07744257844655733,0.08653622288824916,-0.17355848435012802,-0.09164496969071789,0.2835760670541924,1.2727272727272727,-0.14285714285714285,-0.18421052631578946,0.1111111111111111,0.041666666666666664,-0.12903225806451613,-0.10416666666666667,0.011904761904761904,-0.4166666666666667,-0.3595665095685494,-0.21156608879744968,0.1584484495678813,-0.06598346505541443,-0.05790291019853046,0.04479634629577342,0.046033636382536165,-0.10300537772375981,-0.0484478754561425,-0.23211882491140995,0.008216246070922495,0.014682607846149,-0.06311219279896627,-0.09374665227207253,0.04494736261136404,-0.03817824010816958,-0.14036970157641868,-0.23022712915052868,0.015175078884893086,-0.01951816471730271,0.02498382734926146,-0.14088783201345886,-0.006377567542977905,0.15271606715549946,-0.059391167450773476,-0.17848534080029504,0.11235141879163943,-0.023358788504648766,-0.13487929527814002,-0.03286474238725379,-0.012788697654323966,-0.21565723717727864,-0.21775991398788128,-0.2111212366179901,0.054909392217681575,-0.05945137631768357,0.07218061176690971,-0.15877237648368026,-0.06651747221743723,0.24778279787737903,-0.23715755155501075,-0.20349191864683097,0.07036297772926448,-0.07126718136189768,0.07963568381451035,-0.15971864869675592,-0.08433705084291847,0.2609632505275035,-0.11224489795918367,-0.14473684210526316,0.0873015873015873,0.03273809523809524,-0.10138248847926268,-0.0818452380952381,0.00935374149659864,-0.3273809523809524,1.3052582359433142,1.2914909991175556,0.8278743909677034,0.823543192515404,0.9970569417732346,0.7559382977263491,0.832625435466231,1.5190345839454027,1.219570409081255,1.3051197124130423,0.9430188090274745,0.878473762510345,0.9974728595427551,0.9687079175602065,0.7872150646300886,0.9192837880405826,1.5811164170209329,1.3067749462038143,0.8737597337721615,0.9615532241323028,0.852415631319297,1.0898327275459578,0.7882134596149996,0.4225542095324348,0.9894085734142589,1.352049011010268,0.9357853834079863,0.788442580829454,1.1447136634025108,0.7345881813336163,0.8155216256887329,1.5090073599785618,1.7959198245738632,1.3234926021697848,0.8157813975364577,0.9987333151654388,0.7842348763653018,1.1103100348341681,0.7982971251182827,0.21712007796436406,1.8352295420501625,1.330168255394549,0.801303107121206,1.0027381324877749,0.7758948998331594,1.102224215120946,0.8023237096030609,0.20013769687870375,1.0535714285714286,1.080592105263158,0.7541666666666667,0.4791666666666667,1.1068548387096775,1.1640625,1.2321428571428572,2.375,38.48998200630087,19.494991003150425,30.978390242028702,38.86498200630085,4.858122750787606,19.49499101538145,0.4999999999999787,0.0634128752453399,0.007926609405667487,-2.2064706868618638,40.27645909164921,5.034557386456151,2.9566137253032116,38.5051644520264,19.501847805111893,30.989931712285454,38.87906282067445,4.859882852584306,19.501847817254713,0.49853115819738747,0.0631967548194724,0.00789959435243405,-2.2092018615526614,40.21947532310383,5.027434415387979,2.9554810712683754,51.99126137428898,25.596636209086483,41.54368351237784,51.392769657201974,6.424096207150247,25.596636209108244,-0.7979889561160185,0.069539022157031,0.008692377769628876,-2.132693771273034,31.569598286858714,3.946199785857339,2.761755662374017,38.52109881531268,19.50904420787527,31.00204596880259,38.89384101564107,4.861730126955134,19.509044219926206,0.4969896004378569,0.06297014466334383,0.007871268082917979,-2.212075647317281,40.16021413630237,5.0200267670377965,2.9543014459588006,66.32211514658594,32.078763308953825,53.082282187519695,64.6986737500772,8.08733421875965,32.07876330895385,-2.164588528678294,0.1391449992891759,0.017393124911146987,-1.577790983369069,34.415219889039804,4.3019024861299755,2.8307991241336943,40.080472381040565,20.21337037639858,32.19319163192416,40.34017365985801,5.042521707482251,20.21337038213903,0.34626837175659375,0.04181833590580203,0.005227291988225254,-2.539536302080155,36.1968079426066,4.524600992825825,2.8711767492502003,33.77482841476502,17.422065843252252,27.775457306045006,34.54056025793308,4.317570032241635,17.42206596415703,1.214285714285701,0.16502089117243296,0.02062761139655412,-1.4413465599440531,34.23908182698437,4.279885228373046,2.826694188090641,0,11.996355229082399,15.998258890633446,-0.4183282385388529,0.09208697928207106,3.7281759740241585,6.491981061666529,7.0,21.0,21.0,21.0,7.0,0.0,0.0,0.0,0.0,0.0,17.220898,3.4399131529992477,3.1983279967786546,2.7619548600733608,2.2532781276123113,1.8297075700190675,1.3338496331853664,1.2091644625059346,0.7055866819207257,1.8246249371365062,1.6069526764212778,1.3658334637222214,0.9208670514985462,0.7962244993716698,0.5768384810839688,0.38892193534760205,0.08392307051869093,3.406759127218916,3.1560249669477125,2.736942771841243,2.131934108099791,1.8473850299541248,1.3755626884303926,1.1894022485963331,0.49769534637942703,1.7832900121311845,1.596438809624533,1.2961968731523816,0.8755794084760171,0.7050108430428157,0.4296914156831774,0.3295034032735637,0.270913901892937,3.583640768783025,3.3716868014974173,2.9897400452375176,2.522306959943468,2.2312832738039066,1.843139236891105,1.7578540158289657,1.1351099655122308,1.5641416446005605,1.3255406724750551,0.9829302817004302,0.43496276215870955,0.24427496474535204,0.09416078599320574,0.29168302426500087,0.9439184268026212,3.417127078597139,3.154883589657823,2.758827332934185,2.128323218391424,1.8862343299143445,1.4504048343205067,1.2058303940516322,0.4399795575920508,1.7630262136836725,1.5799011787566175,1.2563250569985809,0.8544292349877461,0.6353264629760382,0.3333256579527194,0.2638567696246903,0.3992772455089816,3.63200647039914,3.4256939053614768,3.0711411636895365,2.602096391550387,2.3716024266590607,2.026632251738673,1.9236174389790137,1.2085154084831051,1.5095719848417932,1.272629942352038,0.8958849176370153,0.3381742261958948,0.10754601117793681,0.2808792512095443,0.45390828125975885,1.2076448229620869,4.442680151923393,3.6226895492587543,3.292585908602807,2.7484605085031317,2.264307282530332,1.8400673746914495,1.5993971318261222,1.300978500560375,1.6298283638124336,1.3412306501787001,1.0500829322070484,0.5197540492186731,0.3582807432282318,0.14407566224056523,0.35313862456823264,0.6315789473684205,0,0,0,0,0,4,2,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.242640687119286,3.914213562373095,2.414213562373095,1.4571067811865475,0.8535533905932737,0.47855339059327373,0.25,0.125,0.7803300858899107,0.5591733660532993,0.40236892706218247,0.29142135623730947,0.21338834764831843,0.15951779686442458,0.125,0.125,5.390995791896559,3.100684816393011,1.6895326240390474,0.8778531854030207,0.41301143496612824,0.21987440272343284,0.10444364486709837,0.03227486121839514,0.6738744739870699,0.4429549737704302,0.28158877067317456,0.17557063708060414,0.10325285874153206,0.07329146757447762,0.052221822433549184,0.03227486121839514,11.22239283533483,21.876183539694097,20.776470588235302,21.12,12.550360479041911,170.76413293413177,0.5101087652424923,0.9943719790770044,0.9443850267379683,0.9600000000000001,0.5704709308655415,7.762006042460535,0.7954,32.81279999999998,21.836353346989743,34.97342453153384,43.67270669397949,5.4590883367474365,21.83635334804216,2.7755575615628914E-16,3.469446951953614E-17,-28.656407870242358,32.7162929366335,4.089536617079188,2.7902985670066807,74,1.0,0.0,2.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7350779478458049,0.0,13.213781179138323,0.0,0.0,3.65568556646038,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7350779478458049,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4896442743764173,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1133985260770976,0.0,3.6728202947845805,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.240586734693878,0.0,4.973194444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7350779478458049,0.0,4.973194444444444,0.0,0.0,3.65568556646038,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7350779478458049,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.255625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1133985260770976,0.0,0.14257369614512472,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.240586734693878,0.0,4.973194444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7350779478458049,0.0,8.240586734693878,0.0,0.0,3.65568556646038,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7350779478458049,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5611111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1133985260770976,0.0,1.1581632653061225,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.240586734693878,0.0,4.973194444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.0,2.375,0.7350779478458049,8.240586734693878,0.17527777777777787,0.14257369614512472,2.6832875453514737,1.3574263038548753,2.2405867346938777,7.654359410430839,1.3574263038548753,2.2405867346938777,7.654359410430839,3.66666,0.45833,0.0,0.04167,0.51515,0.89167,0.42308,0.51515,0.82593,0.09207,0.0,-0.09207,0.06574,0.51402,0.20027,0.0,0.22727,0.0,0.0,4.25,0.53125,4.25,0.53125,0.0,0.0,-4.25,-0.53125,0.0,0.0,6.12133,0.76517,7.95768,1.83635,0.22954,3.07224,0.38403,3.91421,0.84198,0.10525,-2.1E-4,-3.0E-5,-2.1E-4,-3.0E-5,0.0,7.02,2,2,2,2,1,1,1.0,1.2406705316766886,1.9657678078192218,3.1746742319786425,3.788754913993503,3.572623663895164,3.140361163698485,27.29475169688715,43.24689177202288,69.84283310353014,83.35260810785707,78.59772060569361,69.08794560136667,0.27821270461723324,0.4408112907491822,0.711901090423885,0.8496048909370343,0.8011387928820575,0.7042065967721037,3.2187610869606087,2.4936638108180755,1.2847573866586548,0.6706767046437943,0.8868079547421335,1.3190704549388124,0.2824637684978126,0.4475468456866663,0.7227788719263857,0.8625867735207036,0.8133801180596313,0.7149668071374867,11.58313237654466,18.05069603593691,22.644103342138443,23.262989225140647,20.669414223960572,20.233769255867454,29.245189717995448,21.32201134669469,16.77508599964545,15.064033191898544,18.470922429716737,19.651272830686445,8.0,7.0,7.2,8,0,4,1.9000000000000001,1.0714000000000008,0.0,1.7697645979915575,0.0,0.0,4.508797713853318,0.0,0.0,0.0,0.0,0.0,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.259,0.596,0.601,0.567,0.248,3.906,6.0,5.0,4.0,3.0,2.0,1.0,0.0,0.0,0.0,36.0,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,0.0,0.0,3.6109179126442243,1.0,0.42857142857142855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.7142857142857143,7.0,1.0,0,4.0,7.0,0.75,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.0,0.0,0.0,0.0,0.07142857142857142,0.037037037037037056,0.025,0.020000000000000004,0.018518518518518517,0.020408163265306124,0.0,0.0,0.0,0.0,0.1923922902494331,21.836353346989743,34.97342453153384,43.67270669397949,5.4590883367474365,21.83635334804216,2.7755575615628914E-16,3.469446951953614E-17,-28.656407870242358,32.7162929366335,4.089536617079188,2.7902985670066807,29.46,129.91281985712226,4.0,3.295836866004329,3.8918202981106265,4.51085950651685,5.1298987149230735,5.75890177387728,6.385194398997726,7.016609683894219,7.645397699428633,8.27715777243181,66.91167671418455,2.70805020110221,0.0,3.6635616461296463,0.0,4.762173934797756,0.0,5.926926025970411,0.0,7.126890808898808,7.492760300922379,118.099379688,5.3681536221818185,14.83110795092203,1.8538884938652538,5.29790651840597,5.29790651840597,0.0,84.0,5.0,0.661,26.0,1.2242380952380951,2.105330600308997,2.816026879744553,3.5391819403664595,4.785671389937443,5.70531705594458,6.897639819196165,7.843102516551093,8.611265998324612,0.0,89.40323074295236,81.20865117918517,88.47072414605663,112.46936719597585,124.78652665240969,141.88917133355162,116.93278601437294,48.58542887349349,8.749597375321699,0.0,266.2250568334307,292.6389417150213,308.2671692970977,422.7293238646073,511.35412120472273,619.2447056661754,533.6415699706465,412.4108484777394,267.6703915186818,0.0,9.526009392380951,16.215939615990916,21.22258428645306,26.334055201037092,35.891233894289115,41.994868720492924,50.389601590351404,58.98098681112439,57.854480604167975,0.0,1.8685174716286659,2.2614581893357224,2.5038750949289263,3.427813082720961,4.217849273338216,5.293314952975067,4.8928006073898125,4.142731304444099,3.8286799899425294,0.0,181.30318991045206,339.9609814618659,477.59199978061895,584.6701294599598,812.1497690834751,945.5385863595692,1196.1894106248444,1429.1114072254857,1592.3750893664376,0.0,3.3911071428571424,5.061785364076895,6.776238673585932,7.350455053150508,10.425466714652126,12.769612060784437,16.111331644427917,19.451993736938586,8.611265998324612,0.0,0.4338624571428572,0.5471672981459119,0.6070730490261657,0.8159169985733509,1.016166095472469,1.244420587826846,1.2165792654214866,1.1211829350854388,0.8817936382284404,0.0,377.3240290772851,347.3751221086051,17.02201747323518,181.58532346827468,-167.1725600597849,-27.156573896531896,195.73870560901042,514.54768216839,44.17859136976708,0.6751077385961747,0.6215231871259277,0.030455774976224998,0.32489226140382504,-0.29910496093578554,-0.04858851220300202,210.88992879146744,194.1512045881553,9.513764764985083,101.48973557142946,-93.43430730639811,-15.178063133866297,0.2279230637784052,0.42729038422270454,4.048826389880117,16.439974522351353,491.39277123494645,67.51658131061339,0.8791994068392158,0.12080059316078401,541.3659732885137,23.26727257949487,8.150113405216942,685.3283744157086,26.178777175714465,8.816568194446798,838.7325744788535,28.96088007086203,9.43064007527056,2.87252722016917,2.87252722016917,940.1460914726074,916.5663147541076,43.596790645118176,1.0257262091557726,21.564571097113127,21.02371071795262,4.221483048632582,4.610697771358493,8.995260611860749,0.9509542932393055,4.340044795974827,4.942392272860336,6.8180646508851215,15.593396509734125,3.935385221807657,1.8123008929111541,7.941970641326472,8.998644895918522,4.752222796445696,1.9306537273885986,4.80998511664744,1.1398011887212443,4.638821187313305,0.10413627820846202,1.654476181916007,0.21383477457266423,2.0614663567549365,1.7252952755740144E-11,2.8770557564690265E-44,9.253563912905291E-99,5.740446638123138E-175,6.868442143655729E-273,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3841351757442081,5.323363008809353,0.6743744184583619,3.037337083147336,0.029773846648008823,1.9116265214261285,0.6349036081658024,0.639867132621492,0.2545314935510273,0.21582248498553708,2.443926682650311,0.018371249152805302,0.6407917530721677,0.008900196170623738,0.03198969997086273,0.2831235188266224,0.22353881188853242,1.9286724170082627E-12,3.216201980541644E-45,1.0344370461655698E-99,6.417128276090127E-176,7.678091457209849E-274,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1205854055769677,4.6146664194717815,1.384092005502261,4.178932433167535,0.2941133744591673,1.1681949937837062,1.673624122333113,1.2943020662556355,0.6496130962984886,0.3738732589768902,2.51621598064161,0.11022948729548442,0.7996342105290434,0.028323008561784532,0.17274928263503755,0.15215249703124534,0.3912696907103115,3.3410172964053185E-12,5.5713901174971735E-45,1.791943531857793E-99,1.1116318339589829E-175,1.3300670519061802E-273,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.319606396156906,5.3220360461406235,7.9269137021382186,14.821339374311945,3.507784213968786,2.3651113148935408,8.024593045138493,8.301703299102444,4.340400380155134,2.4249564322230364,5.029401062107525,1.022664503946903,4.373680102346854,0.09835826802530123,1.4899371498843639,0.2841654442846486,2.565201538682001,2.1670349087743153E-11,3.6136888264523593E-44,1.1622819766958042E-98,7.210214062896949E-175,8.627018289045943E-273,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5846357804526627,4.345364291986677,1.6075952604723576,5.322950356510393,0.6337937731775571,0.9998294693804647,2.346162518969659,2.0536800850944394,1.0785599614067984,0.370211221989682,2.6192818300978153,0.21398011928980157,1.1098027059437827,0.04164642317610932,0.32537120928651675,0.10241230439615538,0.3931514765209899,3.3082314880258918E-12,5.516717388564122E-45,1.7743589720056805E-99,1.1007232555522183E-175,1.3170149421349985E-273,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.421862825493492,5.182937780739857,9.574214407446032,20.669310367803735,5.732694010813966,2.286875986478119,10.550823814816477,12.510819367266048,6.604015820743721,2.8197235966871292,5.870640754628761,1.628555203993089,6.4195738331490375,0.12576705502772884,2.34870959074995,0.2588020183280327,3.0106511291491787,2.5198089847740836E-11,4.2019653374637156E-44,1.351491180614238E-98,8.383973004595896E-175,1.003142040091605E-272,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0459362377481085,6.666015783966577,9.501912935836405,10.257767157992227,1.5753774106281098,6.316068820398803,6.030353559966032,5.09165783745316,2.366991262350948,2.695386381031404,6.291501793439257,0.48154281381608005,3.387180070301661,0.08341361165879417,0.7245885163306862,1.0188566166023774,4.80227226065792,4.129238552546015E-11,6.885806575039443E-44,2.214703385249355E-98,1.3738908297336265E-174,1.643859837151953E-272,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.148408146515578,0.7599375625475849,0.45139991590909095,0.8705800855073701,0.08119211707207456,0.5875354951458799,0.5931900593078604,0.5454427577557167,9.359745624972254,10.213507929466157,22.368448869197213,0.8058701282610551,1.7261683122094569,7.978439316494974,0.29008876260520244,0.08470623929731919,0.9551317504553826,0.03472771761786921,0.5641226828457908,0.08715639185400308,0.019206889313241368,8.353234318397496,3.0148515069475863,11.56413465429661,0.9326976256830738,0.6704859640130352,7.7330481888821305,0.49450186416181596,0.23973419173642677,0.9132855311488025,0.05840147205010271,0.5295838264475655,0.25340855509362226,0.1538459932939129,8.467284244780373,5.796431806992854,15.180461217993718,0.8699282967232037,0.9368383748351007,8.229315414860881,0.7293153053946662,0.42849628453855393,0.8766596436436928,0.07769313284268951,0.5992846787665365,0.5470041441880727,0.4914964134940491,9.3871270047941,9.84050566316075,21.79936696463904,0.8149894654655391,1.6377852364486583,7.704957483495066,0.5931991978427651,0.3159384734533452,0.8944592954965854,0.068863785131608,0.5255737542029464,0.3641466547390329,0.2671968062528522,8.614095154791176,7.192281553000434,17.250397069284844,0.8416889432448781,1.1569172151948315,8.231587420878924,0.7868977471434802,0.4735438616356445,0.8672105189690372,0.08290089976387569,0.5995644373740973,0.634925284635662,0.600270021912517,9.492029029658049,10.748065889473349,23.307436261396106,0.8008157784535558,1.8347597439222763,8.313264336426347,0.7346314969575746,0.43346349540939205,0.8768008940638232,0.07748166391359315,0.6115511329825116,0.5543848821683468,0.5029575010663544,9.481359328793312,10.029118378111573,22.157719821322218,0.8152013410957348,1.6688935162172127 +UMLCN0349,L,2-ethylhexyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC,Esters,,C26H52O2,BioCompoundML (2016),Unknown,PubChem,,116,0,-5.1252999999999975,26.268700089999975,92.91260000000001,82.03723599999992,0,0,80,28,52,0,26,0,2,0,0,0.0,0.0,0.0,0.0,0.0,4315.63847600002,4668.399447000002,5495.601048000012,5578.966760000035,5475.968143000034,5392.234591000038,5126.818781000033,4550.811370000036,4246.201665000036,13060.575709819697,17038.89819947836,23170.76645818331,25194.81421384475,24743.90438281842,23971.83181265572,23064.919180666548,21552.232943577514,19969.699942929994,572.1169759999997,581.1909000000003,1113.9794160000006,1550.995592000003,1549.302628000003,1506.1976680000034,1425.1295000000025,1400.2324480000032,1280.121372000003,96.9176790521477,128.85592411999983,190.67591225747046,217.97924800610897,213.18971629156195,205.83951902641084,197.82238419337367,187.85259451961872,174.9535263390717,13283.273735205948,11465.467012475792,23999.963416339804,35861.72913915619,35646.73556733551,34759.79538536945,32561.64484001293,32351.262806616163,29792.99709571202,177.05555555555554,160.83333333333331,281.4166666666667,349.80555555555554,366.41666666666663,358.5,362.58333333333326,343.91666666666663,300.0,53.94548095000025,59.09366388607597,35.68572109090917,25.591590642201993,25.351704365740897,25.677307576190657,25.89302414646481,23.33749420512839,23.5900092500002,163.25719637274622,215.68225568959951,150.45952245573577,115.57254226534289,114.5551128834186,114.15158006026533,116.48949081144721,110.52427150552572,110.94277746072218,7.151462199999996,7.356846835443042,7.233632571428576,7.114658678899096,7.172697351851866,7.172369847619064,7.19762373737375,7.180679220512837,7.1117854000000165,1.2114709881518464,1.6310876470886053,1.2381552743991588,0.9999048073674723,0.9869894272757498,0.9801881858400516,0.9991029504715842,0.9633466385621473,0.9719640352170649,166.04092169007436,145.1324938288075,155.84391828792081,164.5033446750284,165.03118318210886,165.52283516842596,164.45275171723702,165.90391182880083,165.51665053173343,2.2131944444444445,2.0358649789029535,1.8273809523809526,1.604612640163099,1.6963734567901232,1.707142857142857,1.8312289562289559,1.7636752136752134,1.6666666666666667,0.35089656583244405,-0.16528864332678317,0.004659344829309847,0.00985678237050311,-0.03414577778646562,0.004435048679161677,0.023310814805295746,-0.03466437117776419,0.027723450324724234,2348.502351000001,-21.609857062494456,-688.8949263749985,159.93318812499524,-71.1276270000048,139.51253537499554,-246.45048712500454,-266.06259406250547,38.38988874999586,3935.526363775862,-156.10304196992436,-1521.6994008238355,48.294664681953044,-79.14313135104217,300.6566911926242,-385.7072872202031,-120.61340574274726,79.32233951192104,2.4028992000000082,0.0642884399999691,0.8113538399999708,0.13016248000000283,-0.2530526400000217,-0.2056832000000206,-0.3117295200000282,-0.5503838000000218,-0.09144319999999839,17.522061226651786,-1.0388306092186703,-6.939888396338395,-0.5512285160365559,-0.3449976690135593,1.3172397821824822,-1.6673596864864004,0.3646453450432445,0.3110274834971571,96.004664490197,-6.214676022353681,-37.47761026366905,-4.307658340994328,-1.9755158672775703,6.993500233350708,-9.085099760802919,3.3411874744212358,1.5636714543384804,44.44305555555551,0.3840104166666684,10.537395833333319,1.3329513888888878,-4.469166666666678,-1.5171874999999995,-2.5194791666666703,-10.065364583333384,0.33437500000000064,0.004386207072905551,-0.002092261307933964,3.0255485904609393E-5,4.521459802983078E-5,-1.5808230456697045E-4,2.1119279424579414E-5,1.1773138790553407E-4,-1.7776600603981637E-4,1.5401916847069017E-4,29.356279387500013,-0.2735424944619551,-4.47334367775973,0.7336384776375928,-0.3292945694444666,0.6643454065475978,-1.2446994299242653,-1.3644235592949,0.21327715972219924,49.19407954719828,-1.9759878730370173,-9.881164940414516,0.22153515909152774,-0.3664033858844545,1.4316985294886866,-1.948016602122238,-0.6185302858602424,0.44067966395511693,0.030036240000000103,8.137777215185962E-4,0.005268531428571239,5.970755963302882E-4,-0.0011715400000001004,-9.794438095239077E-4,-0.0015743915151516575,-0.0028224810256411376,-5.080177777777689E-4,0.21902576533314733,-0.013149754547071776,-0.04506421036583373,-0.002528571174479614,-0.0015972114306183301,0.006272570391345153,-0.008421008517608084,0.0018699761284268947,0.001727930463873095,1.2000583061274626,-0.07866678509308457,-0.2433611056082406,-0.019759900646762973,-0.009145906792951715,0.0333023820635748,-0.045884342226277366,0.01713429474062172,0.008687063635213781,0.5555381944444439,0.004860891350210992,0.06842464826839817,0.006114455912334347,-0.02069058641975314,-0.0072247023809523785,-0.012724642255892274,-0.05161725427350453,0.0018576388888888924,-0.47700924127779254,0.006897869936762306,0.01030835919925671,-0.03604077553553625,0.004814929863899332,0.026841274465308217,-0.040528411697183964,0.03511443165145949,-0.009318023270293248,-0.1523811522131954,0.024990853505433598,-0.01121717657397283,0.02263043615910257,-0.04239976781438665,-0.04647808195598095,0.007265129102600559,-0.04016718863783588,-0.20086085625271693,0.004503289036620357,-0.007448119555380969,0.029103065707634025,-0.03959859845031255,-0.012573266774242739,0.008957981692335876,0.027093195470491428,0.17540582405025465,0.01987850664165309,-0.03900421624011848,-0.03260873563148731,-0.05241639816274114,-0.09396918607792214,-0.016913494424660582,-0.060037477906174426,-0.20574844378372192,-0.011544628873381868,-0.007292344935715234,0.028638504615218725,-0.038447570334016995,0.008537699323102846,0.007889165282654488,-0.06555246915205225,-0.20279106803864938,-0.016465783825560392,-0.007621218691002748,0.027750636692845512,-0.03823509407167407,0.014277885210355626,0.007238867970712663,0.008749877864063046,0.12316821588986339,0.01100636459109531,-0.03724421943741311,-0.013004870687923293,-0.022905071844101246,-0.09291396125359744,0.0033438544954529927,1.6086027117906607,1.0274740651327523,0.965829950698669,1.2553016217275177,1.3423646412199015,1.3381013157953145,1.29311151887865,0.9735235866269167,1.3504659463719657,1.29719699289859,0.9614974827075516,1.0296142328346283,0.9911572160492939,1.0820794259439004,1.0616546160555282,0.9675708019572498,1.50043100094937,1.3968206757089368,0.9910778089688146,0.9882593016584171,0.9411768277991882,1.0324535085324476,0.9722692056944818,0.9626082102161012,0.7712816251301725,0.7427612076646024,0.9023914783724108,1.33449980694925,1.3596332099078232,1.447942114881447,1.5073731487918094,1.0041570708510006,1.557874216564992,1.4184635170266644,1.007775777406411,0.986550107914866,0.9391111450748378,1.030402476040185,0.9478140508790311,0.9624031069668784,1.5674051702851275,1.4175053215454974,1.0120245675895319,0.9901585838409328,0.9434722459797713,1.0347326471514664,0.9464509683463522,0.9628361240780028,0.6331447857745561,0.5325612853973121,0.7807382742178591,1.1684638871816604,1.1709294486881292,1.6245630782022558,1.7145055013738424,1.1788649645301426,480.46564681982875,240.48282340991418,381.63042669406457,480.9299325341141,17.1760690190755,240.48282340991418,0.4999999999995737,0.2339953820723485,0.008356977931155304,-4.066870915947621,293.3827683997433,10.477956014276547,15.908138773072775,480.5032742825123,240.50090272035467,381.6572317109335,480.9661960722667,17.177364145438098,240.50090272035467,0.4985311581970677,0.23385383158494502,0.00835192255660518,-4.068565228410925,293.2973403015377,10.474905010769204,15.907323341722304,513.879144027314,256.5405775355988,406.01372413899776,513.1381542823488,18.326362652941025,256.5405775355988,-0.7979889561164555,0.11296797190945956,0.004034570425337842,-6.105822617648564,356.92902750025377,12.747465267866206,16.457103486587403,480.54276499857036,240.51987729950386,381.6853656863899,481.00425534183364,17.178723405065483,240.51987729950386,0.4969896004373595,0.23370528334301843,0.008346617262250658,-4.0703444048962485,293.20818297337036,10.471720820477513,15.906472060665655,549.3655383195478,273.60047489543456,433.1084498296211,547.3555632572034,19.54841297347155,273.60047489543456,-2.164588528678678,0.003732669814712597,1.333096362397356E-4,-15.653768293370787,307.76813094126265,10.991718962187951,16.04217069795705,484.40621377905643,242.37624107540634,384.44574975657105,484.72774869568724,17.311705310560257,242.37624107540634,0.34626837175622427,0.21923069957478802,0.007829667841956715,-4.249365906548182,286.6419220588941,10.237211502103362,15.843054579672852,499.3043139380236,249.7314646722311,397.38984371135075,500.15705137915324,17.86275183496976,249.7314646722311,1.0853021978014112,0.28937458967156415,0.010334806773984434,-3.4720931619479836,3098.4664253744077,110.65951519194313,22.50825518641268,0,11.89,15.995927743602664,-0.3154265756531931,0.26155640290325544,4.458545288136721,9.017826628243835,27.0,79.0,78.0,78.0,26.0,1.0,1.0,0.0,0.0,1.0,59.72076399999998,3.6167731169900676,3.5477392501795397,3.496531701676229,3.425185529956535,3.3102242876303967,3.2018096159437417,3.134388865814052,2.9586833755116606,1.9562288937383296,1.9266306608853974,1.9050060469370684,1.8269451896659024,1.729375659327569,1.7133796885110075,1.595110947833282,1.4672264445539913,3.5911968179338905,3.5712406733361317,3.5182858500864804,3.42749757354546,3.305717329662175,3.233358136009547,3.1359535767062097,2.9612010542758638,1.9009277096647457,1.8815603444420765,1.8455747304463515,1.7698387788745378,1.6751823211707084,1.641920644067861,1.538720298043351,1.4137868626421126,3.7255880277354887,3.694658621238889,3.6443094884442324,3.568488736886572,3.464847894548406,3.3917653409452186,3.308595992150038,3.1564770227522856,1.727109644076032,1.7065778935432512,1.6659879508617927,1.5773720610795876,1.461831962935853,1.4201418738536444,1.30713470644752,1.1504774618494888,3.6049684318861086,3.587427473306378,3.5378457828570045,3.4435470880079464,3.318482891592966,3.258597830301105,3.1504577434526437,2.9752840621434364,1.872154441575909,1.8521177316285375,1.8079357807798728,1.7361602250593429,1.6447682209502403,1.5957305859573427,1.5061446960042084,1.378837024297295,3.768834797760085,3.7494948821991767,3.7030409178506787,3.6234871276252947,3.5201094312833865,3.465992767670351,3.370557575905514,3.226431287911961,1.6760690339825006,1.6579408124698392,1.6105507435104278,1.522056937405778,1.4057679879693807,1.3502776844379536,1.245929902252273,1.0843330671571851,5.1633254578311405,3.6472838579327767,3.611743960764037,3.55149958510473,3.4524025834222902,3.398645166103348,3.313283970063318,3.2024141385922418,1.821512129159484,1.7907351404939404,1.7592694875061932,1.6612239853341175,1.5319257209518948,1.4817050449744813,1.3760774489017715,1.2075492054048347,0,0,1,0,0,4,20,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.49279927982674443,0.0,0.0,0.0,0.2630497103308105,0.0,0.0,0.0,0.9010475702906076,0.9826588779526486,1.014934870976991,0.5151283791960047,0.5133070313273645,0.4560910920747877,20.7110497244833,13.739912065068586,9.8374468070492,6.911467148087919,4.574062385531748,3.2242619788767333,2.1529971623174515,1.2612602688509404,0.7396803473029749,0.5088856320395773,0.35133738596604286,0.2468381124317114,0.16940971798265736,0.1194171103287679,0.08611988649269806,0.057330012220497294,19.743089255034853,12.896542030603182,8.799262389634443,6.00775355804423,3.8217319692641456,2.558901173058017,1.6129469704186175,0.946749438308115,0.705110330536959,0.4776497048371549,0.3142593710583729,0.2145626270730082,0.14154562849126465,0.09477411752066729,0.0645178788167447,0.04303406537764159,41.51712110726649,77.74508375819389,73.56078431372535,74.56000000000003,47.722895808383306,615.0436742514963,0.5189640138408311,0.9718135469774236,0.9195098039215669,0.9320000000000004,0.5965361976047914,7.688045928143704,9.007500000000002,123.8110000000001,247.50807105290096,391.71212105740574,495.01614210580203,17.67914793235007,247.50807105290096,0.18095307398288155,0.006462609785102913,-4.786649115060453,283.4285855695373,10.122449484626332,15.81148852830967,983,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,25.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,21.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.32120328567577,0.01818756635831842,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.905115800017265,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.698271500785585,0.0,26.40219138511141,0.0,0.0,0.0,0.5601462620689177,0.0,0.0,0.01818756635831842,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.84890885376227,5.4722944319135,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.4722944319135,0.01818756635831842,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20700429191888103,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.197235428107071,0.0,0.6135596417216124,0.0,0.0,0.0,0.5601462620689177,0.0,0.0,0.01818756635831842,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.84890885376227,5.4722944319135,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.84890885376227,0.01818756635831842,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.283567703586465,0.0,1.4447174434849,0.0,0.0,0.0,0.5601462620689177,0.0,0.0,0.01818756635831842,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.84890885376227,5.4722944319135,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,51.00000000000001,1.8214285714285716,0.5559027777777779,11.84890885376227,-0.11768251828944054,0.01818756635831842,15.855007250485839,1.6484791003083483,4.8489088537622695,15.038949572922707,1.6484791003083483,4.8489088537622695,15.038949572922707,13.66666,0.4881,0.0,0.0119,0.45917,0.75476,0.43023,0.45917,0.75476,0.02893,0.0,-0.02893,0.0,0.64669,0.0676,0.0,0.13415,0.07317,0.0,15.75,0.5625,14.25,0.50893,1.5,0.05357,-12.75,-0.45536,0.0,0.0,40.41472,1.44338,45.21758,4.80286,0.17153,12.69202,0.45329,13.7399,1.04788,0.03742,0.1741,0.00622,0.1741,0.00622,0.0,27.02,2,2,2,2,0,0,0.9615384615384616,1.0639993696997976,1.5483233998757575,2.605567882885758,3.287483183763734,3.7901456763707904,4.152689896091419,85.11994957598381,123.8658719900606,208.44543063086064,262.9986547010987,303.21165410966324,332.21519168731356,0.16830298505930016,0.2449131620348403,0.41214766188070373,0.5200127452291605,0.5995236926905161,0.6568707890635077,5.257928725187564,4.7736046950116044,3.7163602120016037,3.034444911123628,2.5317824185165714,2.1692381987959424,0.16830298505930016,0.2449131620348403,0.41214766188070373,0.5200127452291605,0.5995236926905161,0.6568707890635077,8.85902780966628,14.7707890372778,18.59908851784255,21.256508077091514,23.204483777364988,24.789699626679994,105.3445390730148,83.51828870012005,72.8453718043838,61.86974415914398,51.79033628823942,44.29720036003274,28.0,23.28061224489796,21.556122448979593,28,3,18,4.1000000000000005,3.846399999999993,0.20426448516081097,6.847846234606047,0.8879293787665905,0.0,0.0,6.73437437577289,0.0,0.33333333333333337,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.442,0.426,0.519,0.065,13.11,28.0,28.0,27.0,27.0,25.0,22.0,21.0,19.0,18.0,270.0,3.367295829986474,3.4339872044851463,3.4339872044851463,3.4011973816621555,3.4339872044851463,3.367295829986474,3.2188758248682006,3.1780538303479458,3.044522437723423,2.995732273553991,5.66988092298052,1.0703703703703704,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.0,0.8518518518518519,26.0,0.9629629629629629,2,12.0,24.0,1.0,2.5,1.1111111111111116,0.5,0.4800000000000002,0.3333333333333334,0.163265306122449,0.125,0.07407407407407406,0.060000000000000026,0.049586776859504134,0.09259259259259259,0.0396825396825397,0.017857142857142856,0.017777777777777785,0.012345679012345682,0.006530612244897959,0.005681818181818182,0.003527336860670193,0.0031578947368421065,0.0027548209366391185,0.22345268932541892,247.50807105290096,391.71212105740574,495.01614210580203,17.67914793235007,247.50807105290096,0.18095307398288155,0.006462609785102913,-4.786649115060453,283.4285855695373,10.122449484626332,15.81148852830967,26.3,473.19605367365904,5.807354922057604,4.709530201312334,5.407171771460119,6.124683390894205,6.838405200847344,7.562681246721884,8.28374674710613,9.01225522000275,9.738082108118487,10.469851945892822,123.14640783235608,4.007333185232471,0.0,5.117993812416755,0.0,6.368187186350492,0.0,7.684783943522785,0.0,9.041329829241901,9.345657668923812,396.39673090400146,4.954959136300018,54.48793876681988,1.94599781310071,5.506024971391987,5.506024971391987,0.0,3333.0,28.0,12.383000000000006,110.0,1.2450886075949363,2.1489718077877122,2.8768641878898746,3.6117906772938357,4.776959960366129,5.760525920946268,6.932460958714978,8.042656299529561,9.464982856321969,10.595910416624925,85.19614818681015,85.06253075775278,86.42038285574894,113.27389685530039,143.5309330102896,174.4527512939682,187.17529360554624,219.41490436721284,244.30415101011482,265.5196259286791,295.06497518193004,345.257860843127,364.0848922862802,477.0529675290599,601.4148578627223,742.9878593187074,836.616613409552,981.9981052466592,1132.31756282103,1240.1702950329661,9.20340781356963,15.606543905324493,20.532481935468734,26.073858108463998,34.42522041626896,41.67189338981473,49.9778121522419,57.47277827446236,67.6545151451574,75.21874084322073,2.172608012728609,2.7898644827233885,3.055191521877238,3.961287916961398,5.015851300623591,6.198615049055347,7.103087467704295,8.382785130363164,9.748789317855636,10.775484496133442,178.48521790924858,331.52536856867334,469.41623457557847,583.5291392205522,781.5116020451235,933.7065060362605,1138.2427068449656,1313.2529751520972,1549.0500447498507,1737.7761998762019,2.604659282700421,4.044919017595087,4.720579317670059,6.352675299631165,8.395099564282768,10.816875499989898,12.459789652835687,13.828890770789998,16.016793878381794,16.83329305958545,0.4599734810126578,0.6039327902847083,0.6703676426619678,0.8757738601879242,1.1140139603131494,1.377886339645341,1.5775241550306485,1.8423165730518245,2.141152298208472,2.355774562055496,976.3018842815063,1751.1703238091013,30.425169041867708,232.09935171950315,-416.3112900326337,-21.138007255447167,744.2025325620032,2167.481613841735,51.563176297314875,0.8079285714010065,1.4491629697469444,0.02517803535401406,0.19207142859899326,-0.3445141213280634,-0.017492540247144785,1179.764403675887,2116.1163837392064,36.765811875732595,280.4691434928807,-503.07107743660936,-25.54319409408067,0.14576682539478195,0.17579790244248752,2.39293678498583,0.9011744406218355,1157.3832193845753,51.018016616434466,0.9577805656792694,0.042219434320730734,1827.6159735522642,42.7506254170891,12.226298134689555,2331.3418498052197,48.28397094072959,13.259749510902056,3506.582884256139,59.21640722178389,15.19245771393118,5.251014506381185,5.251014506381185,31453.088410597502,31330.464522942737,323.5659157309892,1.0039138866761765,97.20766892130695,96.8286923922812,10.406875262739783,15.542959551267757,30.75885257345301,0.9789572553409992,14.516054990246932,23.785315833098778,10.75421361154448,105.17682168186127,40.821740627768705,10.15724472453304,24.453581418822477,22.133309197083204,77.42335006685467,6.348126168990481,10.480636979625421,68.06476870761077,11.239574201712463,73.64894204114358,5.059246392492688,18.147151395954843,36.81025036457637,9.520554948073478,64.77059625465483,5.284372210478363,32.244560179867605,26.00187004225175,9.494158985159066,51.938869083283535,6.105161723890806,36.4005229406922,18.018871680255348,11.215897639302888,35.661106551934154,6.3699097056464025,1.2347394153156779,23.417175793341404,0.8544923139463163,25.74949456144765,0.9289566058705724,2.9735482486235165,4.176900044831821,1.9933661122881354,20.694547305870557,0.3454598819439843,5.100793142460322,5.983479766882148,0.7944940403521096,16.188083765776977,0.3046702319375364,8.024878821253814,1.6106112975996802,1.330138316808571,11.053559362447336,0.13480937776384094,7.798905510616151,0.640381109505143,1.7518657045270243,7.773195589035782,0.2598895864927007,6.984848805628276,0.36546028849504064,2.4865301282160677,4.799514074527134,0.3171510156695936,3.9384719183500483,23.17078598360195,2.5440729681616467,31.4042464712589,3.6284715200171886,3.8313072912467336,7.263130167700288,4.295113008848569,26.42090672635179,1.096627369620486,5.244997098548759,15.192244289453583,1.8492660613769025,23.981229235458553,0.7753970871977927,9.490998283795053,5.57173414296926,2.1765252991569772,19.066297591902515,0.6385730708063486,11.31604605900196,2.8725947735444533,2.6686035937156625,14.305257037216588,1.005313004115776,11.191365708274967,1.8967303021058493,3.575043993826473,9.18630287470201,1.1670110971419412,13.70708688473279,23.878888201486372,10.5903473813531,98.35285761798553,36.72128206844111,9.698486489831376,24.073279539098912,20.713162167524143,75.53347610838154,6.110480500007468,10.191810935799994,63.780862364258866,10.356727111806022,70.3812838049994,5.257993534818805,17.78352745913317,34.12616834829882,9.053841995981811,60.78528781488008,4.7754776298398935,30.877284045620943,23.860323980144532,8.787296039791508,48.52818810484904,5.588929407725555,34.81655976408686,16.289075847686203,10.439880350212118,33.18138640111982,5.862938557186329,5.7970012269619895,23.108960561226745,3.6604930249210867,38.09500200809209,7.035755521219792,4.596522309804344,9.456562565938206,6.297711390935021,31.488235975759572,1.6784117828251484,5.646148110602143,22.56318481004609,2.8584362986909695,30.31252537956395,1.077915507905443,10.687632108467893,9.11181514359717,2.920084636593609,25.40593306963188,1.1469170909558657,14.151066788638186,5.164956529922767,3.495021163774753,19.50875514881778,1.6499605162929125,14.552259442473863,3.5419089806488957,4.528196903201372,12.756768053694053,1.8649170104471802,17.530261727290856,24.12042837336307,13.708722890304198,141.11144210396424,59.22051685247891,12.645708639282203,30.786196119392326,29.910833387276877,99.58313479704671,8.592692387940334,12.844492336848162,87.18778164207359,15.485647964736238,92.66229835715204,7.163985058461556,20.921847388321435,50.36879010129952,12.87250625167493,81.82957938127797,7.388445773541878,39.71738609214434,36.90427177621802,12.382634480461775,66.11289752326982,8.196376383196359,45.57036609752853,25.588309910185178,14.377127667344348,45.885860958010454,8.40189669985872,9.527283756595255,23.056204022009137,7.895061773868495,67.76569716530105,18.988879841358948,7.49649486799821,18.98328845600202,15.100524232475363,66.5100547491921,5.562903004287445,8.110186504110736,44.31102713168072,5.840109601692562,56.34659858072477,4.303493078024527,14.916053212448041,22.543304877652652,7.329554658306054,41.3323256959392,2.439638137319298,22.473398752900014,14.82113696739667,5.465354226981701,32.15821347206785,3.0982617983846734,24.89060095517876,8.60138629630234,6.822474749447753,21.442891920910725,3.3572170492308864,85.78718258000737,0.9880811798874832,0.6963357832680244,0.9807432701362191,0.011296022766794317,0.5792363617330726,0.4162673334362611,0.3670619178271209,87.47159954316288,145.1894218414124,291.68571555843226,0.9711149052043287,1.3625656129964545,79.0008891779444,0.569510889608482,0.25339008515738887,0.9896910310423548,0.007134600956919674,0.49120872537549637,0.14549146970487106,0.04747491928580477,79.82379015271027,65.15421712471695,156.3785002057454,0.9845365465635323,0.6841751143661723,82.72293805383136,0.7082652350183514,0.42770290763814645,0.986453816366328,0.008445915492372768,0.5385817708959477,0.21363359969104354,0.13814870304191018,83.85890619648785,94.27354939649568,203.1914753538987,0.979680724549492,0.8903640736289015,85.23851980627651,0.9815925440613112,0.6817583578075097,0.9808594350350053,0.011295413275485522,0.5718470311228888,0.41564268858118375,0.35074710978957035,86.90187070814534,142.45077771460876,286.3950262793233,0.971289152552508,1.3382368294936429,84.14688483815257,0.7813417354918398,0.5081586007176674,0.9849068949537386,0.009145304238905305,0.5572897995056988,0.2559447862037636,0.19595642733237423,85.43638517436207,108.90448181277027,227.75101088566308,0.9773603424306078,1.0091910130418367,86.05344724459046,1.0258494754545513,0.7300817014210772,0.9800029198652617,0.011682686905386062,0.5828388947509395,0.4503779359908148,0.40324112645806065,87.80937842146608,151.85288482484032,304.11233078820663,0.9700043797978924,1.436457957199815,85.43086050757856,0.9897926157589859,0.686007176169066,0.980761519427263,0.011362995807159791,0.5744316707463242,0.423267819861026,0.3550930422214202,87.10666029950661,143.84402310016438,288.9586509415655,0.9711422791408946,1.3527925328287704 +UMLCN0350,L,"7,8-diethyltetradecane",CCCCCCC(CC)C(CC)CCCCCC,Alkanes,,C18H38,BioCompoundML (2016),Unknown,PubChem,,67,0,-2.775800000000003,7.705065640000016,67.22,57.018133999999954,0,0,56,18,38,0,18,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2635.3646099999964,2912.5594010000023,3420.2075220000042,3774.6085640000024,3916.8454280000046,3693.002562000004,3317.778256000002,3045.3308070000003,2597.297483999999,8804.486519863294,11559.77875181832,15941.930778284524,18292.871336192275,19576.45949934571,19685.712072223992,18231.622782070524,16443.153505599592,14706.34663388764,391.0309199999998,398.6587880000004,766.7361360000011,1071.5094560000025,1136.765648000002,1257.6505680000025,1252.8131200000032,1127.0670360000033,1003.668528000003,67.09549038426202,89.72598377999994,134.3648341763759,160.39885189518546,172.42754490063854,178.41772861822267,168.3777031867126,151.34106975276916,136.30517618003378,9309.169186541463,7974.160866620205,16826.410207253357,24967.867747853288,26250.585364335315,29568.169275394866,29938.77670175416,26986.333304365453,23832.18545573175,84.55555555555556,102.44444444444446,166.66666666666666,214.8333333333333,234.6666666666666,256.41666666666663,248.99999999999997,222.41666666666663,206.0,47.06008232142851,52.95562547272731,31.668588166666705,24.670644209150343,24.17805819753089,20.516680900000022,18.43210142222223,18.798338314814817,18.036788083333324,157.22297356898738,210.1777954876058,147.61047016930115,119.5612505633482,120.84234258855376,109.36506706791107,101.28679323372513,101.50094756542958,102.12740717977528,6.982694999999997,7.248341600000008,7.099408666666677,7.003329777777794,7.017071901234581,6.986947600000014,6.960072888888907,6.957203925925946,6.969920333333354,1.1981337568618218,1.631381523272726,1.2441188349664434,1.0483585091188592,1.0643675611150527,0.9912096034345704,0.9354316843706256,0.9342041342763528,0.9465637234724569,166.23516404538327,144.98474302945826,155.80009451160515,163.18867809054436,162.04065039713157,164.26760708552703,166.32653723196756,166.5823043479349,165.50128788702602,1.5099206349206349,1.8626262626262629,1.5432098765432098,1.4041394335511979,1.4485596707818926,1.424537037037037,1.383333333333333,1.3729423868312756,1.4305555555555556,0.07805535090615466,-0.007993663789872332,-0.02942693180617104,0.008443998008561247,-0.006344546281047012,-0.009802428640970865,-0.0011448379411776437,0.00883869446169885,-0.006511253086375236,1478.7348242142843,-55.745955674747556,-439.1731244846969,132.33873687882488,-222.0572971199014,-239.04359940306466,-14.206725545920449,106.55044159438629,-248.30885519387968,2749.770549864786,-103.66198501475137,-816.661178343309,246.0895322926173,-412.9250261806183,-444.5117806172422,-26.418012801539636,198.13509601156247,-461.74091940085367,0.2896739999999996,-0.010920250000005696,-0.08603100000000494,0.025924249999998535,-0.04349950000000244,-0.0468270000000007,-0.00278299999999887,0.020872500000001234,-0.0486419999999996,12.292753764941379,-0.46341730463069436,-3.6508554414675194,1.1001347093311231,-1.8459669918531265,-1.9871744807987766,-0.11810080893636304,0.8857560670227095,-2.064196747496418,66.77443355176989,-2.517290153738469,-19.831504701466415,5.975949201531379,-10.027321997436173,-10.7943633185192,-0.641525468542137,4.811441014068964,-11.212749493655418,5.190476190476183,-1.3537414965986398,-1.7006802721088403,0.71768707482993,-0.027210884353739778,-0.3860544217687012,-0.6598639455782214,0.8180272108843534,0.5578231292516989,0.001393845551895619,-1.453393416340424E-4,-2.7247159079788E-4,5.5189529467720565E-5,-3.916386593238896E-5,-5.4457936894282584E-5,-6.360210784320243E-6,5.455984235616574E-5,-4.521703532205025E-5,26.405979003826506,-1.0135628304499555,-4.06641781930275,0.8649590645674828,-1.3707240562956875,-1.3280199966836925,-0.07892625303289139,0.6577187752739894,-1.7243670499574977,49.10304553329975,-1.8847633639045702,-7.561677577252861,1.6084283156380215,-2.548919914695175,-2.4695098923180123,-0.1467667377863313,1.2230561482195215,-3.2065341625059283,0.0051727499999999925,-1.9855000000010357E-4,-7.96583333333379E-4,1.6943954248365055E-4,-2.6851543209878046E-4,-2.601500000000039E-4,-1.5461111111104834E-5,1.288425925926002E-4,-3.377916666666639E-4,0.2195134600882389,-0.008425769175103534,-0.03380421705062518,0.007190422936804726,-0.011394857974402015,-0.01103985822665987,-6.56115605202017E-4,0.005467630043350058,-0.014334699635391792,1.192400599138748,-0.045768911886153986,-0.18362504353209644,0.039058491513276984,-0.06189704936688996,-0.05996868510288444,-0.00356403038078965,0.02970025317326521,-0.07786631592816262,0.09268707482993184,-0.024613481756338908,-0.015747039556563338,0.0046907651949668625,-1.679684219366653E-4,-0.0021447467876038956,-0.0036659108087678965,0.005049550684471317,0.003873771730914575,-0.10427219962526124,-0.1954819100490157,0.039595154135021085,-0.0280977084434688,-0.039070280649258604,-0.0045630671028582806,0.0391433916634198,-0.032440491889905186,-0.03838383838384025,-0.15399610136452363,0.03275618239498491,-0.051909609414483554,-0.050292397660819485,-0.0029889538661472897,0.02490794888455675,-0.06530214424951329,-0.03838383838384114,-0.1539961013645239,0.032756182394985026,-0.05190960941448322,-0.050292397660818985,-0.002988953866146651,0.024907948884557333,-0.06530214424951265,-0.03838383838385846,-0.15399610136453148,0.03275618239498348,-0.05190960941448569,-0.05029239766081954,-0.0029889538661456395,0.02490794888455858,-0.06530214424951224,-0.03838383838383572,-0.15399610136452105,0.03275618239498551,-0.05190960941448223,-0.050292397660818264,-0.002988953866146864,0.02490794888455682,-0.06530214424951254,-0.03838383838385534,-0.15399610136452957,0.03275618239498396,-0.051909609414484706,-0.05029239766081874,-0.00298895386614523,0.024907948884558787,-0.06530214424951163,-0.2655546288573816,-0.1698946653075093,0.05060862265395448,-0.0018122097632799878,-0.02313965341488243,-0.03955147808358764,0.05447955600860805,0.04179408766564722,1.624900060595953,1.3393178005606587,0.9230359077449258,1.0523793257120109,1.0375012059356359,0.9505605089070899,0.893394410733541,1.040100171265945,1.5555555555555582,1.3758934372969485,1.0006497725795989,1.1118330806439989,1.0506822612085787,0.9506172839506188,0.917262291531299,1.0319200779727116,1.5555555555555576,1.3758934372969476,1.0006497725795982,1.111833080643998,1.050682261208578,0.9506172839506183,0.9172622915312983,1.0319200779727107,1.5555555555555551,1.375893437296948,1.0006497725795986,1.1118330806439989,1.050682261208579,0.950617283950619,0.9172622915312987,1.031920077972711,1.5555555555555522,1.375893437296942,1.0006497725795944,1.1118330806439944,1.050682261208575,0.9506172839506152,0.9172622915312946,1.0319200779727065,1.5555555555555542,1.3758934372969445,1.000649772579596,1.1118330806439953,1.0506822612085756,0.9506172839506161,0.9172622915312962,1.0319200779727082,1.8623853211009205,1.1119605844376503,0.7271991365353488,0.9048306716502448,0.9860474006116223,0.9811416921508679,0.8176180767923898,1.0179345056065254,175.59317307707113,87.79658653853551,128.0255102404053,175.593173077071,9.7551762820595,87.79658653853551,-1.2789769243681803E-13,2.220446049250313E-16,1.2335811384723961E-17,-64.87857610041088,171.0935136407092,9.505195202261623,9.255978486761986,175.59317307707113,87.79658653853551,128.0255102404053,175.593173077071,9.7551762820595,87.79658653853551,-1.2789769243681803E-13,2.220446049250313E-16,1.2335811384723961E-17,-64.87857610041088,171.0935136407092,9.505195202261623,9.255978486761986,175.59317307707113,87.79658653853551,128.0255102404053,175.593173077071,9.7551762820595,87.79658653853551,-1.2789769243681803E-13,2.220446049250313E-16,1.2335811384723961E-17,-64.87857610041088,171.0935136407092,9.505195202261623,9.255978486761986,175.59317307707113,87.79658653853551,128.0255102404053,175.593173077071,9.7551762820595,87.79658653853551,-1.2789769243681803E-13,2.220446049250313E-16,1.2335811384723961E-17,-64.87857610041088,171.0935136407092,9.505195202261623,9.255978486761986,175.59317307707113,87.79658653853551,128.0255102404053,175.593173077071,9.7551762820595,87.79658653853551,-1.2789769243681803E-13,2.220446049250313E-16,1.2335811384723961E-17,-64.87857610041088,171.0935136407092,9.505195202261623,9.255978486761986,175.59317307707113,87.79658653853551,128.0255102404053,175.593173077071,9.7551762820595,87.79658653853551,-1.2789769243681803E-13,2.220446049250313E-16,1.2335811384723961E-17,-64.87857610041088,171.0935136407092,9.505195202261623,9.255978486761986,204.8928944019314,102.28903979355822,150.9489057298834,204.61305901098478,11.367392167276929,102.28903979355822,-0.31481481481495166,1.1102230246251565E-15,6.167905692361981E-17,-61.981587858029506,148.5757678498939,8.254209324994106,9.001971088804039,0,11.890000000000002,12.110335656157309,-0.17050521731703072,0.05006660216549132,5.161575657934061,10.41344143731059,17.0,55.0,55.0,55.0,17.0,0.0,0.0,0.0,0.0,0.0,41.54186599999999,3.6555883531826763,3.4456461318301943,3.363708903150631,3.1476158541765353,2.9751071103138056,2.964633958368336,2.624914156407836,2.5043151667675714,1.999029385245967,1.8827479336425792,1.8228705084747778,1.6826391952781363,1.5771176872355335,1.5763942564043874,1.339497154258598,1.2564054005241327,3.6781566006840634,3.4755942447181254,3.3951020668561904,3.1843251302431557,3.0173518193328506,3.0079989735279704,2.6767158282774988,2.558763715277659,1.9474589844954087,1.8197518120720677,1.7567111856239492,1.6063884480584927,1.493348699810489,1.492012468666687,1.243407564956102,1.1555153783106027,3.7782800321552164,3.6065098441456396,3.532564039389823,3.3453437314149896,3.2012764936644174,3.1960079507323256,2.8997646577411396,2.79370771062591,1.7984592488761246,1.6324816287988613,1.559862207034256,1.377295613546375,1.2374574366164188,1.2328407683507712,0.9430719100778426,0.8393551944506434,3.694827169403793,3.49761799500985,3.4182038456762998,3.211367928224616,3.0484079101756216,3.0398356121740755,2.7146818543396307,2.598709616667932,1.914865718766906,1.7794628597413666,1.7143754820668209,1.557372761001103,1.4391316497679256,1.4372846128836432,1.180645178766757,1.0895368134214432,3.8276288282703983,3.6697688299774653,3.5990605137982055,3.423121801470185,3.2891456442881606,3.2853760835651746,3.004583327002814,2.904178982938601,1.7527639643339228,1.5734652540649674,1.4978411132161507,1.3046716176361348,1.1550593879477489,1.1488862999821454,0.8441542887461689,0.735093029977691,3.6669073935142746,3.5185420089223207,3.459614307498043,3.296113689601659,3.150293438983993,3.150292427483892,2.833348240424984,2.695071209777768,1.9250897895298764,1.741249211987283,1.6605478147981947,1.4647342182265457,1.322067132412906,1.3070255113296592,1.0370242455811316,0.9600295268300078,0,0,0,0,0,4,12,2,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3333333333333333,0.0,0.08333333333333333,0.0,0.3333333333333333,0.0,0.08333333333333333,0.0,1.040440114519881,1.6094757082487297,1.6094757082487297,1.040440114519881,1.6094757082487297,1.6094757082487297,13.639981912617825,8.794753619934976,6.035326504448684,4.572358152094931,3.2129253980999763,2.0361790760474654,1.1906570452189678,0.8160440616569954,0.7577767729232125,0.5173384482314692,0.3352959169138158,0.22861790760474654,0.1606462699049988,0.11312105978041474,0.07441606532618548,0.05440293744379969,13.639981912617825,8.794753619934976,6.035326504448684,4.572358152094931,3.2129253980999763,2.0361790760474654,1.1906570452189678,0.8160440616569954,0.7577767729232125,0.5173384482314692,0.3352959169138158,0.22861790760474654,0.1606462699049988,0.11312105978041474,0.07441606532618548,0.05440293744379969,28.294728271931554,53.86890021849971,50.78431372549014,51.44000000000004,33.17253532934137,430.79415209580844,0.5052630048559206,0.9619446467589234,0.9068627450980381,0.9185714285714293,0.5923667023096674,7.692752715996579,6.979600000000008,85.08000000000008,87.79658653853551,128.0255102404053,175.593173077071,9.7551762820595,87.79658653853551,2.220446049250313E-16,1.2335811384723961E-17,-64.87857610041088,171.0935136407092,9.505195202261623,9.255978486761986,318,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,12.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.600000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.414824574198326,0.0,17.2361334756883,0.0,0.0,0.0,2.015708616780045,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3054377658091654,0.0,1.3660870707860178,0.0,0.0,0.0,1.0078543083900224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4019745212899974,0.0,1.4888734567901234,0.0,0.0,0.0,1.0078543083900224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,28.666666666666668,1.5925925925925926,0.2,2.4019745212899974,0.2,1.0078543083900224,13.231696713466954,0.3254790249433108,0.40197452128999756,2.829649148396651,0.3254790249433108,0.40197452128999756,2.829649148396651,9.0,0.5,0.0,0.0,0.42857,0.7,0.42857,0.42857,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.22222,0.11111,0.0,8.5,0.47222,8.5,0.47222,0.0,0.0,-8.5,-0.47222,0.0,0.0,26.66444,1.48136,26.66444,0.0,0.0,8.79474,0.4886,8.79474,0.0,0.0,0.11926,0.00663,0.11926,0.00663,0.0,17.0,0,0,0,0,0,0,1.0,0.9059282160429993,1.2994835734949235,2.359879028736861,3.110577243331642,3.5530900835303276,3.5071273521802215,50.73198009840796,72.77108011571572,132.1532256092642,174.19232562657197,198.97304467769834,196.39913172209242,0.1559967021478377,0.2237651376462631,0.4063603930549387,0.5356271977655419,0.611825888243013,0.6039113157798199,4.901426706014606,4.507871348562681,3.4474758933207434,2.6967776787259625,2.254264838527277,2.300227569877383,0.15669812309441852,0.2247712714458795,0.40818754508844407,0.5380355828845754,0.6145768918717138,0.6066267324580757,6.698383050008051,11.42104733943114,15.437910452252808,18.54994896897057,18.699572503985024,18.94960209511049,71.26744542347804,57.30076465571869,50.589497857611974,39.85119431420074,38.11603308265689,37.12144638482147,18.0,13.432098765432098,9.6,18,0,14,3.44,2.644799999999999,0.7192637817704093,9.729044159501875,2.007889699518317,0.0,17.199353938379232,8.7851516663944,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.121,0.10400000000000001,0.049000000000000044,0.010000000000000009,8.3,18.0,20.0,20.0,18.0,16.0,15.0,12.0,7.0,4.0,165.0,2.8903717578961645,2.9444389791664403,3.044522437723423,3.044522437723423,2.9444389791664403,2.833213344056216,2.772588722239781,2.5649493574615367,2.0794415416798357,1.6094379124341003,5.111987788356544,1.0,0.46153846153846156,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,0.7647058823529411,17.0,1.0,2,7.0,13.0,0.8571428571428571,2.0,1.333333333333334,0.75,0.4800000000000003,0.27777777777777785,0.20408163265306126,0.15625,0.07407407407407406,0.020000000000000004,0.01652892561983471,0.11764705882352941,0.07407407407407411,0.0375,0.024000000000000014,0.015432098765432103,0.012755102040816329,0.010416666666666666,0.006172839506172838,0.0028571428571428576,0.004132231404958678,0.31553400353173616,87.79658653853551,128.0255102404053,175.593173077071,9.7551762820595,87.79658653853551,2.220446049250313E-16,1.2335811384723961E-17,-64.87857610041088,171.0935136407092,9.505195202261623,9.255978486761986,0.0,319.88418196640134,5.169925001442312,4.2626798770413155,4.990432586778736,5.739792912179234,6.4967749901858625,7.2633296174768365,8.034306936339489,8.810310466357958,9.58911921482184,10.370831397690157,100.55757799887142,3.5553480614894135,0.0,4.672828834461906,0.0,5.978885764901122,0.0,7.384610383176974,0.0,8.850087606689566,9.120087382998621,254.29735121599998,4.541024128857143,34.51205648834134,1.9173364715745187,0.0,0.0,0.0,753.0,20.0,10.460000000000004,70.0,1.2397272727272728,2.141383401706404,2.8820708619395066,3.5844415032303023,4.460974445894119,5.347323777251438,6.406558790235334,7.539362421047601,8.650055640238529,9.761726138145502,77.2218097578727,76.21225320678467,82.16642790504771,103.28889652691473,108.48218117657119,117.93931368040094,142.13970502048517,156.55345007743142,131.10438532797113,113.10205901587535,287.5990282903022,339.7942526629667,373.92632586556005,483.15772345416286,538.7941709552202,602.3742806784988,718.300861401193,837.5247901883564,812.8712311829521,764.8156785858498,9.022993228436372,15.25514331681854,20.24149015918671,25.275795781114045,31.294020122879633,37.37731730485817,44.75023342717002,52.73735372555425,60.13285088477583,67.30157101598078,2.1691573263116353,2.807951492211476,3.1936528920036484,4.128059532597425,4.740115991033973,5.389413091500469,6.41861801211955,7.57559692979248,7.759215999781341,7.664060539480227,177.43632193628335,329.86273487718995,466.3279180566735,571.7930219721482,723.6261188077785,877.6057626846692,1054.0245327134583,1233.688071911518,1442.8736264825436,1671.677430940305,2.3696282828282826,3.386349056036146,4.141881250239869,5.376677328325705,6.5325778748936845,7.619650496859068,9.05121907444377,11.08317765700145,12.414480594571478,12.914061188704997,0.44934995454545407,0.5918613065733291,0.6784012690133479,0.8761562494547447,1.0115179308498339,1.153861415690491,1.3742215970404963,1.6240942172758064,1.6785616297725607,1.6731362196384099,661.9580503541288,641.3871678900242,16.496626422258657,199.76183406993619,-193.55407331037105,-12.037413391349233,462.1962162841926,834.9412412003953,28.53403981360789,0.7681824016357148,0.744310511435742,0.01914383864228022,0.23181759836428528,-0.22461367877072252,-0.013969056080671161,570.4224146447391,552.6960761852699,14.215471013975705,172.13874456708461,-166.7893936828199,-10.372878476358151,0.031085929803979482,0.06725590544498193,0.2881397801971154,4.378272584872206,861.7198844240648,0.0,1.0,0.0,1055.386675484549,32.48671536927901,10.181314874118693,1423.49404659248,37.7292200634002,11.249120053887372,2113.0747452677933,45.968192756163404,12.832313265539963,3.370550419871252,3.370550419871252,5444.202817273905,5226.994523964298,360.3498780718593,1.0415551025190035,15.108102287711187,14.505331740176018,7.32713342926623,9.364340826787707,17.451328748131427,0.863593932656746,10.598221338711877,17.181374799973206,8.83768005818886,67.56863656139188,32.912908717113595,18.759370863244662,17.522819824353935,40.29476132898034,55.58152176324737,20.87651277099316,17.5503496352999,52.475684002719376,20.98592488080169,49.547466331086675,14.789750778165555,9.593439846313691,25.339158210342255,9.546871456903181,38.52128933816542,7.705536668564924,4.396271115103128,8.205558536942654,5.278916876929329,19.5255164104382,5.795343448964398,2.6880187910885898,2.115773720143784,4.252101000265545,4.5958645249081025,7.251446834168715,0.8894352531118546,16.13152443703964,0.6577103944348348,20.576612205115012,2.243805558619339,2.433015186861926,2.4032313509372387,3.8775102244142152,11.93956392342528,2.5499294320764188,0.288812870556969,6.627439823407169,0.7502626704176484,10.284898671083955,1.5191626677566132,0.3359360368694249,2.7637405192023077,0.2643199504106918,6.746761808640766,0.35393024223799685,0.28910895874297937,0.13159523803272707,0.07090662429454254,3.6473832413568936,0.25181388464847093,0.21389678813708551,0.023955776029386835,0.062393340639908944,1.3855818317788064,0.3067681331770978,2.8712054351472758,16.20168598467556,2.1785027468827987,24.839529689007822,4.359487198400659,4.427434787749324,4.928880248641452,8.863630822011666,18.132168366236048,5.066857454235499,1.7049809045651187,13.532755692805365,3.081693831382551,16.249949363151522,3.2159144568967286,1.3703787501506086,5.3167271541327255,1.2070243913382321,11.648581946261663,1.3354250522814024,0.9370184817900351,0.7873662938774215,0.47409321646466146,6.183507300432347,0.9674370240221308,0.6307716974060414,0.1776423747977886,0.39543872174591355,2.0408681225412826,1.189146618991978,10.003856396632091,17.06611342081606,8.284227390763649,62.80653945843716,29.569168596985595,17.286494291039357,16.398894305590858,37.19950834131054,51.94908551823997,19.321590703550843,15.74812499846465,48.800995243050224,19.1106505443964,46.41887396116767,13.619302230418587,8.724156711768686,23.230067779654195,8.641792230147002,36.015695239112596,7.071827435970272,4.0774587482355065,7.360234486922597,4.726642772793688,18.30408354914846,5.308830487506326,2.5053716312396443,1.8910303313389054,3.8108860304190797,4.399333018910287,6.636970158028653,4.231628549518963,16.29264643985178,3.266694623971568,29.348225786683734,7.042434896177195,6.193862089737324,6.829107274465875,13.013134991197642,23.189529750321288,7.158056328788063,3.3028308046599744,19.001470612605615,5.2163379403955785,20.953242248666406,4.681182385890142,2.3344211449203516,7.679485281473599,2.1368484171277493,15.483861572993922,2.1633293665965856,1.438336555819901,1.5321660809250686,0.9468000053338634,8.133788663280027,1.5821879317831669,0.9431156666890672,0.36429125212563085,0.7791050198603091,2.4907018697660908,1.953777359875105,12.798887209567674,17.66603145467577,10.946681250124545,87.34113145917073,46.95803288210202,24.750267264970397,21.909382091214788,52.73815782900307,70.12160868868742,27.125307588424587,25.069619329445707,67.06682878909946,28.651876021708468,61.954380256519585,19.52991411453655,13.15552158804346,33.97366955536094,13.2803927275911,48.434646243407755,10.260396544573503,5.653188884571222,11.733994612656463,7.588796807007894,24.33109037771584,7.7637507149721365,3.399685176824506,3.057674516898026,6.095461748099304,5.3235325723369575,9.74154559179458,6.89091028005313,15.291871238412366,5.254045408270935,38.71910800445969,14.050169611688263,10.662854147266938,10.46154965446746,22.26135663264507,32.77990484455725,11.992431185937562,7.69093228370767,29.788681302717553,9.975639034957254,29.465347325800302,8.559102797064137,4.642317616273061,13.578940208786653,4.308839581619391,23.755337533493623,4.174565220592965,2.5917346099851972,3.4646281144462745,2.167784878832314,12.463818085865755,2.8259459688706148,1.482838580504846,0.8672413959502803,1.7596595038014493,4.054329996201674,3.51465516777023,22.081027275459654,1.7085694871799137,0.7424897316160788,0.9000876171144299,0.06964631759226786,0.4510831912737081,0.3378067291649184,0.4479015535709339,24.532086494255648,55.39050076398478,107.934474678699,0.8501314256716449,1.2367914740095605,20.2735517915674,1.1354933892466705,0.28136235724939307,0.9346782330387435,0.05235002557024562,0.3802546987076761,0.14967296334152952,0.06409946740723893,21.69040753806346,29.04418345440738,57.21168864582659,0.9020173495581153,0.5940271294564445,21.003700279076696,1.3669952936242526,0.467722510028878,0.9196652851783755,0.059855077907430033,0.4081366630538673,0.2166145411515697,0.17743717462585468,22.838418082729827,39.175237314547836,75.44288512981448,0.8794979277675634,0.8021883788312918,22.037497618272155,1.6947682964034587,0.7313920549175101,0.9008259372193421,0.06927697805904395,0.4493061626009827,0.33239214416873825,0.43458994875873713,24.463657969593125,54.70604303069776,106.48606227269575,0.8512389058290133,1.216288255528458,21.323882634455774,1.468512275126844,0.5494078055585787,0.9135490902175926,0.06291340446358325,0.42067542610195857,0.24984292501861224,0.24497230878080367,23.3418027151412,43.836703072760756,84.38287245524907,0.8703236353263888,0.9154906599013745,22.216918926582643,1.751654154076985,0.7771324227563261,0.8978090733164091,0.07078618768154267,0.4566533804525833,0.3549905183134518,0.4907478149140826,24.745705503415955,57.54311359672515,112.53198293285277,0.8467136099746136,1.3023917136801177,22.093985189110224,1.7023843049241918,0.7334159589038762,0.9007003029642766,0.06940070096374497,0.4516132449627777,0.3352268053395941,0.43718859863971055,24.52978545293829,55.065090770066995,107.18044996083555,0.8510504544464149,1.2240286489420824 +UMLCN0351,L,butyl laurate,CCCCCCCCCCCC(=O)OCCCC,Esters,,C16H32O2,NREL (2014),Blend,PubChem,,73,0,-3.1101000000000036,9.672722010000022,59.378099999999996,51.10137599999996,0,0,50,18,32,0,16,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2852.6759859999975,2983.616477000002,3437.4496690000014,3258.841343999998,3090.274342999998,2849.6376499999974,2663.0032569999985,2318.4879629999973,2079.4466419999953,8203.731803707753,10508.99685457468,13810.167928120778,14262.723119706106,13295.617058278185,12376.883127251513,11635.559483410718,10761.853477469993,9695.51670722405,362.3425359999999,363.4331000000002,686.660620000001,919.5643200000023,848.747900000002,785.7231680000018,716.5759960000013,694.2375000000011,643.2498800000006,60.13642095516805,78.69603791999997,112.79258652413083,122.6083060875437,112.87786158075174,104.7271163973558,98.77977932026181,92.95921868626183,85.00106329795982,8316.977133820968,7135.072497317802,14752.474513992925,21257.527145919797,19409.269936176526,17935.827537796195,16297.096987185161,15895.898483950512,14970.896410968962,133.27777777777777,107.0,189.08333333333334,222.16666666666669,220.91666666666669,205.75,191.83333333333337,180.08333333333334,152.83333333333334,57.05351971999995,60.89013218367351,36.56861350000001,25.459697999999985,26.412601222222207,26.385533796296272,26.899022797979782,24.150916281249973,23.104962688888836,164.07463607415505,214.46932356274857,146.91668008639127,111.42752437270396,113.63775263485628,114.60076969677327,117.53090387283554,112.10264039031243,107.72796341360055,7.246850719999998,7.417002040816331,7.304900212765968,7.184096250000018,7.254255555555573,7.275214518518535,7.2381413737373865,7.231640625000011,7.147220888888896,1.202728419103361,1.606041590204081,1.1999211332354343,0.9578773913089351,0.9647680476987328,0.9696955221977389,0.9977755486895132,0.9683251946485608,0.9444562588662202,166.33954267641937,145.61372443505718,156.9412182339673,166.07443082749842,165.8911960356968,166.0724772018166,164.6171412846986,165.5822758744845,166.3432934552107,2.6655555555555552,2.183673469387755,2.0115248226950357,1.7356770833333335,1.8881766381766383,1.9050925925925926,1.9377104377104382,1.8758680555555556,1.6981481481481482,0.3082996664023419,-0.16298776839977064,0.030516199526759245,-0.008530352731699328,-0.007433514143156053,-0.015480361363525874,0.021186079577267106,-0.016406339382476952,0.0019895430672533256,1537.5490880000032,-19.920418560001657,-396.7306683600009,131.77391167999986,-27.574943680000644,-73.30124512000071,-116.5266477600005,-226.78185384000017,7.625585600000136,2434.164358322124,-154.51537631383832,-989.2082614924516,147.99172800997653,-0.04116318050653689,87.77721113567172,-158.49113913385793,-213.15121729858578,8.283020456443019,2.214149120000002,0.0526401024000005,0.8349841343999993,-0.06018142720000089,-0.2866283008000009,-0.44116913920000067,-0.23418581760000073,-0.3760543104000008,-0.07315609600000034,10.811375630900493,-1.045459502325324,-4.619561170888605,0.2743581511843667,-0.027604679246004793,0.8426076223101651,-0.6629620332249475,-0.48729843693764124,-0.035782627401664435,59.53942844581234,-6.280918617972045,-24.99680163895192,0.7607909958297743,-0.3363700540519965,5.167193905930319,-3.6238543787707536,-1.982948196156637,-0.36018836700315515,41.702222222222126,0.5107111111111087,11.183155555555565,-0.8265777777777861,-4.629866666666664,-6.506799999999988,-2.397066666666674,-8.138266666666645,-1.7173333333333372,0.006165993328046838,-0.003326280987750421,3.246404204974388E-4,-6.6643380716401E-5,-6.35343089158637E-5,-1.4333667929190624E-4,2.1400080381077884E-4,-1.7089936856746826E-4,2.2106034080592506E-5,30.750981760000062,-0.4065391542857481,-4.220539025106392,1.0294836849999989,-0.2356832793162448,-0.6787152325925992,-1.177036846060611,-2.3623109775000017,0.0847287288888904,48.683287166442476,-3.153375026813027,-10.52349214353672,1.1561853750779416,-3.518220556114264E-4,0.8127519549599234,-1.6009205973116962,-2.2203251801936017,0.09203356062714466,0.04428298240000004,0.0010742878040816428,0.008882809940425524,-4.70167400000007E-4,-0.0024498145367521443,-0.004084899437037043,-0.0023655133090909166,-0.0039172324000000085,-8.128455111111149E-4,0.21622751261800985,-0.021335908210720896,-0.049144267775410685,0.0021434230561278647,-2.359374294530324E-4,0.007801922428797825,-0.006696586194191389,-0.005076025384767096,-3.975847489073826E-4,1.1907885689162467,-0.1281820126116744,-0.2659234216909779,0.0059436796549201115,-0.002874957726940141,0.04784438801787333,-0.03660458968455307,-0.020655710376631636,-0.0040020929667017235,0.8340444444444425,0.010422675736961401,0.11896973995271878,-0.006457638888888954,-0.03957150997150995,-0.06024814814814804,-0.024212794612794686,-0.08477361111111088,-0.019081481481481526,-0.5394558201385641,0.05265014138448201,-0.010808214860250456,-0.010303985997985026,-0.023246324098328223,0.03470662266813813,-0.027716437478144815,0.003585153746443461,-0.01322036341664258,-0.1372489196620168,0.033478075367958486,-0.007664252190569551,-0.022071335409377116,-0.03827639895359909,-0.07682066855416056,0.0027553178480663318,-0.06477325608749479,-0.21616231680408368,0.023749123002419267,-7.226752261173076E-6,0.016694681116770513,-0.032884398126986285,-0.04560754438381634,0.0018904549381082805,0.024259608225521003,0.2005919533645845,-0.010617338185424624,-0.055321805442628505,-0.09224535511494907,-0.05341811189959316,-0.08845909168032921,-0.0183557083795493,-0.098673420197055,-0.22728036400358334,0.009912813731129868,-0.0010911536029637558,0.036082006097812334,-0.03097009308904024,-0.023475390912600768,-0.0018387333974921158,-0.10764464486616178,-0.2233170762908805,0.004991381182244248,-0.002414330975276896,0.040178743117610854,-0.030739789279189515,-0.017346245098263487,-0.003360876205205836,0.012496547164107006,0.1426419667982617,-0.007742559682404444,-0.047445325288232754,-0.0722361362748233,-0.029030580773093985,-0.10164159916870934,-0.022878255000177733,1.6136649742821814,0.9739505092063064,1.022843202873961,1.1967112708555374,1.2892115302956184,1.0874915898759434,1.0094160133514574,0.8442510915719897,1.2753494345671244,1.2335416087493074,0.9293391756128749,1.0119729390361576,1.0378033216894822,1.0431214945024583,1.0701907693031794,0.9364331262537501,1.5010127045772457,1.3788457920444286,0.9353306075777991,0.9601576114860687,0.9398334647322448,1.0227093957706048,1.0125996222693465,0.9514019986571088,0.7299201238984289,0.7130197457311231,0.9725894726548489,1.268388029491092,1.3930208164185485,1.1441334998331905,1.2093888746300867,0.8623576556778805,1.5939622436510097,1.4140804365190498,0.9461913101210669,0.9578853177700949,0.9166963133932207,1.0218142497612823,0.98887812531823,0.952058439063946,1.6091703113363118,1.4131898407477683,0.9502375779031406,0.9626697645851018,0.9175656273392699,1.0236990318399226,0.9849968997110465,0.9506762655396137,0.5855003730150284,0.5059016306085485,0.8368796127304718,1.2620341752815405,1.3744567598612178,1.3604451474136043,1.4728265213684357,0.8594887917865663,202.02422781878997,101.26211390939496,160.42860305477063,202.46867226323434,11.248259570179687,101.26211390939496,0.49999999999994316,0.14834326616625043,0.00824129256479169,-3.434807384653285,151.8811619159286,8.4378423286627,9.041577094003914,202.047326926658,101.27292904242769,160.443701743655,202.4904657339446,11.249470318552477,101.27292904242769,0.4985311581973946,0.1481673546144105,0.008231519700800584,-3.4369431653523224,151.99644781934987,8.444247101074993,9.042942871734592,222.6237866031201,110.9128988235021,174.37461294830933,221.91446308657265,12.328581282587368,110.9128988235021,-0.7979889561158728,0.0029806746144487306,1.6559303413604058E-4,-10.46809012211563,143.50047685015016,7.9722487138972316,8.93940904474509,202.0715701444971,101.28427987246744,160.45954958644052,202.51333867821955,11.250741037678864,101.28427987246744,0.49698960043778584,0.1479827421275144,0.008221263451528578,-3.43918731467466,152.1180701017648,8.451003894542488,9.044382593333644,244.64277990790634,121.23909568961395,190.29777720501397,242.71870121574773,13.484372289763758,121.23909568961395,-2.1645885286784363,0.1476099706475697,0.008200553924864983,-3.4437272711120697,249.99745329254543,13.888747405141412,9.938611315764975,204.44467921319784,102.39547379247715,162.01734497254208,204.75247332142584,11.375137406745877,102.39547379247715,0.34626837175645164,0.12997286099149302,0.00722071449952739,-3.6727733014635446,168.29802919980048,9.349890511100027,9.226325503953754,206.4435664079126,103.36721933685376,165.61869523506107,207.2284209052671,11.512690050292615,103.36721933685376,1.1772817460316816,0.24280574433633667,0.01348920801868537,-2.5478884104485013,126.38779158818748,7.021543977121527,8.710838804720847,0,11.890000000000002,15.99592268662098,-0.3156792519024736,0.26151026965971,4.310581095094192,7.588901011037136,17.0,49.0,48.0,48.0,16.0,1.0,1.0,0.0,0.0,1.0,37.85662399999999,3.584223532185277,3.492222018057472,3.358593995899684,3.2499575363633726,3.0386710511082056,2.7831717986064124,2.6396049273627,2.3750505955616346,1.9391086754481315,1.846521080140583,1.8131951233316081,1.6838250941847042,1.4972131071316361,1.393317959969127,1.2616169863076674,1.060711427327837,3.566191727660943,3.4701306868075923,3.378660903795831,3.249683166583058,3.0237702683971976,2.794463180429369,2.648376600175603,2.3842787850876124,1.884145868851655,1.80574423416678,1.7519456163930163,1.6288053630226684,1.4550682258218988,1.3232894077206812,1.1848550435927945,0.9899828084883879,3.6994679200025398,3.626416869495344,3.52743216583507,3.4110343639440592,3.2198833051267615,3.017678279896807,2.876044783157008,2.6502364784776264,1.7072019770817681,1.607063965154177,1.545180727216258,1.4112183844582453,1.1984457788494973,1.0261851140774305,0.8868897371496559,0.6470452488105031,3.582528312705206,3.476980320992981,3.397994131641502,3.263799577396926,3.031850833984917,2.8151673217847915,2.6736896179198246,2.406355361242456,1.853105892064425,1.7866160081084717,1.7119499678568906,1.5966178119192702,1.4293186181559108,1.2745979137888184,1.1371830320488503,0.9446009801996035,3.7482975014263875,3.6692414535323983,3.59243174306451,3.469468519086248,3.2803213011080943,3.1045929098070646,2.9630777314446144,2.7457874959239845,1.6547995753744844,1.5592929303167986,1.484005048565499,1.3531034553885104,1.1391390425879533,0.9437319359410927,0.8010654025896745,0.5558316411573231,5.126200974102696,3.583977437372141,3.549508765914414,3.454250170354719,3.2574696566838943,3.167770915760832,2.9587112919131293,2.6609492136338826,1.8063617097907905,1.6799323504989858,1.616784004302721,1.4796790828337973,1.2410101396403759,1.0743327440905548,0.9686859336561054,0.7241952564684934,0,0,1,0,0,3,12,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.08333333333333333,0.08838834764831845,0.08333333333333333,13.476845205801295,8.808060412490448,6.218055890644904,4.1009536313039,2.6905962987307173,1.7450997602686853,1.1878590213661282,0.6753810964856393,0.7487136225445163,0.5181212007347322,0.3657679935673473,0.25630960195649377,0.1793730865820478,0.12464998287633466,0.09137377087431756,0.06139828149869448,12.508884736352847,7.964690378025045,5.152450695796949,3.2453948993433333,1.9825083239874108,1.2469517906830125,0.801969168572454,0.4837445040667865,0.6949380409084915,0.4685111987073556,0.30308533504687935,0.20283718120895833,0.13216722159916072,0.08906798504878662,0.06168993604403493,0.04397677309698059,26.098843069407646,48.86671522214135,46.30588235294113,46.96000000000003,29.737350898203637,384.76112335329344,0.5219768613881529,0.977334304442827,0.9261176470588226,0.9392000000000006,0.5947470179640727,7.695222467065869,5.250600000000007,77.71100000000006,105.83169317182822,166.54990565293033,211.66338634365647,11.759077019092025,105.83169317182822,0.07909402698075668,0.004394112610042038,-4.566812254763607,261.9678045445675,14.553766919142639,10.022798903026734,407,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,13.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.418243809611504,-0.007966856559478819,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.5755709651569,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.355098561738224,0.0,14.90129115187642,0.0,0.0,0.0,0.0,0.0,0.0,-0.007966856559478819,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.302748126458063,5.115495683153442,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.115495683153442,-0.007966856559478819,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.21504972057856675,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.105502820766333,0.0,0.6039304610733183,0.0,0.0,0.0,0.0,0.0,0.0,-0.007966856559478819,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.302748126458063,5.115495683153442,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.302748126458063,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2495957409718907,0.0,1.3891413664231125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.302748126458063,5.115495683153442,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,35.66666666666667,1.9814814814814818,0.5559027777777779,11.302748126458063,0.055772868482450555,-0.007966856559478819,9.064948240650233,1.6746335232261456,4.302748126458062,12.546684742699457,1.6746335232261456,4.302748126458062,12.546684742699457,8.66666,0.48148,0.0,0.01852,0.47467,0.78519,0.42857,0.47467,0.78519,0.0461,0.0,-0.0461,0.0,0.61321,0.10108,0.0,0.15385,0.05769,0.0,10.75,0.59722,9.25,0.51389,1.5,0.08333,-7.75,-0.43056,0.0,0.0,20.9118,1.16177,24.80733,3.89552,0.21642,7.75049,0.43058,8.80805,1.05757,0.05875,0.10595,0.00589,0.10595,0.00589,0.0,17.02,2,2,2,2,0,0,0.9375,1.1238561897747248,1.6427812336745191,2.81848108839971,3.6203107519800506,4.029275070710712,4.285533250556852,56.19280948873624,82.13906168372596,140.9240544199855,181.01553759900253,201.4637535355356,214.27666252784257,0.19912913298727827,0.29107425462945596,0.49938924622248576,0.6414604891136597,0.7139223494054943,0.7593271526516181,4.52,4.001074956100205,2.8253751013750144,2.0235454377946738,1.6145811190640122,1.3583229392178726,0.19912913298727827,0.29107425462945596,0.49938924622248576,0.6414604891136597,0.7139223494054943,0.7593271526516181,9.698823505695543,16.085720617293077,20.87655133342562,23.286645351546248,25.205782709830768,24.916586340891957,66.65750487792172,50.97089271964049,40.739727386045985,33.6270817787771,27.974423355773506,27.363285273429668,18.0,15.058823529411764,15.0,18,3,12,2.9999999999999996,2.437400000000002,0.0625,4.1165658542912595,0.2696799449852968,0.0,18.62257304801997,3.185488931658689,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,8.347999999999999,17.0,16.0,15.0,14.0,13.0,11.0,10.0,9.0,8.0,148.0,2.9444389791664403,2.995732273553991,2.9444389791664403,2.8903717578961645,2.833213344056216,2.772588722239781,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,5.099866427824199,1.1013513513513513,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,0.8235294117647058,16.0,0.9411764705882353,2,8.0,16.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.16666666666666669,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.08823529411764706,0.039215686274509824,0.0234375,0.016000000000000007,0.011904761904761906,0.006279434850863422,0.005681818181818182,0.004938271604938271,0.004444444444444445,0.004132231404958678,0.21963031671109323,105.83169317182822,166.54990565293033,211.66338634365647,11.759077019092025,105.83169317182822,0.07909402698075668,0.004394112610042038,-4.566812254763607,261.9678045445675,14.553766919142639,10.022798903026734,26.3,300.2362074149898,5.169925001442312,4.23410650459726,4.90527477843843,5.602118820879701,6.289715570908998,6.994849985833071,7.68937110752969,8.399085102935908,9.09750756370184,9.810220284565686,98.02224971939059,3.5553480614894135,0.0,4.634728988229636,0.0,5.849324779946859,0.0,7.1284959456800365,0.0,8.445697189711167,8.764209507142004,256.240230264,5.12480460528,34.6490944241484,1.9249496902304668,5.451971915407946,5.451971915407946,0.0,914.0,16.0,6.964999999999998,68.0,1.242285714285714,2.141678123895597,2.8659603257505024,3.6309700652724555,4.933932410350629,5.946598080899462,7.215018410202149,8.28667459568535,9.57896030536209,10.71195516291374,87.01733398057144,86.56284591789856,86.41381757930338,120.21152044433508,150.8716188197312,186.0745832946785,196.88054791558605,216.88549807040596,246.24929537271038,276.3009702185141,291.9578274555604,335.37204054009084,351.34400494366497,481.8369144194954,621.3095017675353,774.3354268941738,871.8191801213273,967.1071663302116,1093.2953423680642,1215.3501961868567,9.26099327085715,15.715079346340739,20.657092333447466,26.541775748309384,36.04175758385634,43.21861074882826,52.32606022015624,59.45879928059338,68.83990859572651,77.23096011334741,2.1300732584685704,2.6900032086752272,2.9228401534078317,3.9331206598351742,5.117647475114559,6.406055823441188,7.371616347658802,8.290259257134958,9.385011019194492,10.408133247861938,178.79073998960789,332.8732115162944,472.19293354364254,588.4328239863182,810.3785418647703,964.0218209372995,1183.4419905783122,1363.7022304495913,1583.5106289717928,1773.023259097893,2.7882976190476194,4.456891993056169,5.089255656643156,7.124752400516263,9.60342576873591,11.773567862773035,13.736491420133335,14.409760872281685,16.936202207411277,19.450476988771015,0.45772714285714267,0.5939237090839802,0.6546519317426679,0.886990968260581,1.1556783426923412,1.433229747611932,1.6522283731902856,1.8466645833448287,2.103257398185342,2.3477232209135828,673.1853825497419,853.0282080321078,19.829250232786833,222.67623454860015,-282.16463733790954,-22.783972234763716,450.50914800114174,1135.1928453700175,42.61322246755055,0.7514390277486838,0.9521874715372113,0.022134278167885945,0.24856097225131604,-0.31496453464747026,-0.025432468363317133,603.0809454179779,764.1952298781451,17.764264179392093,199.48709157207867,-252.7804682935069,-20.41128621015915,0.20632843913611051,0.24906987850686155,1.0122451822934813,3.653012090086708,846.8133872569393,49.04822984140281,0.9452502162105483,0.05474978378945171,1206.8002820907643,34.7390311046633,10.646621165322587,1516.785436707969,38.94592965520234,11.489683089282352,2156.0749455409414,46.43355409120587,12.918773509836202,4.182225692261355,4.182225692261355,9103.958777640262,9008.727538605435,145.25296614459512,1.0105709978048207,62.676577417204236,62.020954048108784,7.483981372675745,10.582349022805118,20.839494614391388,0.9692692586005214,8.938043767523311,13.778201457750654,6.207435143415085,60.1558379714663,21.89905651061823,1.7335396315711298,13.403660288313775,13.768984931638146,41.936254384475326,2.7095106912151823,7.077381030867812,34.90564244757037,6.524950650937216,32.81450956036634,3.0489594565803477,13.529761914853182,15.038207678846469,4.7444084842721175,19.933515199035593,2.9262040815043067,19.167557885768254,7.446986730380232,6.050153481378957,5.044388288200515,3.0390525006279994,22.614470839076848,4.0795041815286694,5.8076556518870985,0.0678657623225225,0.7025719441227524,0.7666155979445988,13.928745535850327,0.5076791785809361,13.59219013664718,0.23433661337665007,1.6892513476335445,1.8991765258905604,0.7209825602318429,11.66655675750778,0.23983904560774108,4.767567052679648,3.80937884449807,0.7854525905447672,7.313383750436454,0.07070587661207697,4.747593344573686,0.759757678960212,0.7354571185157497,4.25276924911371,0.10150731105912239,4.6676687239661385,0.3695998269125621,1.0131312465621825,1.5541573578407906,0.13986063444630542,4.337039958947748,0.18271439784722854,1.429031688376639,0.002466568784105581,0.05750316786824366,2.4273111636082567,13.647691952600125,1.4016093925585054,16.749050089526158,1.7058635170489127,1.5167107540055282,3.6668083825635454,2.083986317002422,14.050478961954674,0.4786469281926691,4.741139414074832,7.763522728864421,1.3454315074205043,10.76333022698764,0.3502623692027084,5.715713322360116,2.3883608382616917,1.1063525655218063,6.583337471979663,0.4226086701841957,6.660565469698419,1.15621996430822,1.5007557159102844,2.135070927860112,0.5273850058976791,6.70752861219525,0.6942699726359269,1.9593591494326135,0.008663483196964703,0.16039019360346646,8.441899314843742,13.9287192874722,6.322497946611148,56.849756759497254,19.777709685717152,1.8156208054387117,13.587791193170766,13.150785320965992,41.4581984131528,3.1316637016327507,7.082524364095753,33.12594283642817,6.64976581202474,31.360041165426264,2.7504669884674082,13.168758344079237,14.27029511613979,4.341652841869865,19.013250052265317,2.662897995024604,18.58812468766817,7.233697082844008,5.552450481994983,4.9557388437195735,2.789304746959807,21.989850016944864,3.740766541392041,5.695537443188632,0.06159557246867434,0.7137078960249318,3.569828307465018,13.540927001667812,1.953534673996226,20.470762426464574,3.5290629779513214,1.4598606026487682,4.8090037812674105,3.2434037206852464,16.448322009211928,0.5521929052940674,4.886990667763692,11.151598828048844,1.7359853862738535,13.567347364173095,0.6396685592961359,6.637133358514961,3.7544375580232265,1.4938503320561798,8.404197644595191,0.7188918305451591,8.299028735990976,1.7772937031436926,1.9960523846076854,2.555060663336691,0.8540581017564544,8.647030632008393,1.1296972356360662,2.3601757280787075,0.015053254545703006,0.22414806325384845,10.794005313129174,13.873866971939723,8.104430534279535,81.43965193634818,31.9239758145055,1.860728740009028,17.114908066579982,19.11671983246447,54.340558905930415,3.89516993208438,8.036273699112323,45.232800736816976,9.05021234998043,41.28116847238123,4.28604038885171,16.384865962681534,20.57646313083007,6.417667054703582,24.807794862086315,4.003727904619361,23.520148684301102,10.291458614227363,8.114761546462518,5.973857794430594,4.045803304809785,28.542395906462176,5.448486780153263,7.490415219333952,0.0945961753604142,0.9137118868182117,5.8115519145504635,13.7751446309564,4.977129884836708,41.59994703860151,10.610175326955392,1.9287557432265334,11.329568772980641,10.735364146926008,41.6655124869881,3.0947264429827053,6.653504102862685,26.998831834754284,8.00473941346008,24.777840634946365,1.3617843231480744,10.366134172046753,11.236116757278195,2.5149482869299637,15.01460325137201,1.395408424808173,14.083604413672413,6.674567200287968,3.2981932117365824,5.206617536280693,1.5397505147913102,16.939300589909315,2.0548804530518665,4.398811188617183,0.03211681769503871,0.5514731682272056,39.73661433190366,0.837608788129482,0.496333446,0.9675207168915578,0.02039438610438056,0.5571268154848942,0.6187973220473078,0.599989202882,41.07055656603314,53.422081354853354,111.01246998793677,0.9512810753373367,1.7759133404142018,35.32407272413549,0.47659591015486313,0.09755179065788155,0.9840062350162146,0.013276310204603976,0.44040469633999835,0.19836788606830374,0.02317751352984357,35.898220424948235,20.32772792236041,57.86826284657393,0.9760093525243221,0.6619500959381457,37.64932324268584,0.5766485032139084,0.25760458066710634,0.9783218410679494,0.014984275326194757,0.500162552389766,0.2931864936185475,0.16162313050536808,38.483576326566855,31.55761131710656,75.63389280243635,0.967482761601924,0.9549721765136816,39.38117169237404,0.8362470940117763,0.47936339018093976,0.9676728622306103,0.020548236231150683,0.5472175302473112,0.616818482786112,0.5596623324912451,40.69678217656676,52.21114860029515,108.69451307930949,0.9515092933459155,1.7236983455246682,38.58507769493529,0.6365693308273475,0.33320831410176555,0.9754827154189653,0.0160933297659111,0.5253076413656519,0.35742018674111126,0.27041327647818325,39.55485533986441,37.63105596993507,85.3701996071916,0.9632240731284478,1.1531411045849465,39.924570321062525,0.8745002236564581,0.5252004335935918,0.9661288481535554,0.021161903233947073,0.5624099695161103,0.6745087995920835,0.6718100613984563,41.324270978312576,56.341735215459124,116.0028781208707,0.949193272230333,1.90872883050665,39.4916122402772,0.8451363267845622,0.48214914504600165,0.9674835542793978,0.02070453574580179,0.5502971142679509,0.6299488676112307,0.5661860357768564,40.81889771210776,52.824124943092485,109.73513421368423,0.9512253314190968,1.7464320176560382 +UMLCN0352,L,butyl octanoate,CCCCCCCC(=O)OCCCC,Esters,,C12H24O2,BioCompoundML (2016),Unknown,PubChem,,39.6,0,-1.9581000000000002,3.8341556100000007,47.7317,38.727031999999966,0,0,38,14,24,0,12,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2267.4909899999975,2309.703289000001,2662.6155210000006,2471.8144279999974,2303.2474269999975,2062.6107339999967,1875.976340999997,1531.4610469999973,1292.4197259999971,6260.994241262992,7897.036316613206,10155.979481471435,10235.529739885596,9268.423678457673,8349.689747430983,7608.366103590184,6734.660097649465,5668.323327403519,278.43276000000014,276.32998000000003,515.7425880000001,668.0247200000008,597.2083000000001,534.1835679999997,465.0363959999998,442.69789999999983,391.71027999999984,45.423917716376046,58.63208344000002,82.0418259447349,86.5221906499598,76.79174614316788,68.641000959772,62.693663882678074,56.87310324867807,48.914947860376074,6330.458493266977,5402.914691254602,11055.665718129538,15341.706525765463,13493.44931602217,12020.006917641824,10381.27636703078,9980.07786379613,9055.075790814577,116.27777777777777,86.0,152.08333333333334,173.16666666666669,171.91666666666669,156.75,142.83333333333331,131.16666666666666,107.25,59.67081552631572,62.424413216216244,38.03736458571429,26.867548130434756,28.435153419753057,28.64737130555551,29.777402238095192,25.524350783333286,23.933698629629575,164.76300634902609,213.43341396251907,145.08542116387764,111.25575804223475,114.42498368466264,115.96791315876365,120.76771593000292,112.24433496082442,104.96895050747258,7.327177894736846,7.4683778378378385,7.367751257142858,7.261138260869574,7.372941975308644,7.419216222222218,7.381530095238092,7.378298333333331,7.253894074074071,1.1953662556941065,1.5846509037837841,1.1720260849247843,0.9404585940213022,0.948046248681085,0.9533472355523889,0.995137521947271,0.9478850541446345,0.9058323677847421,166.5910129807099,146.0247213852595,157.93808168756482,166.75767962788547,166.58579402496505,166.9445405228031,164.7821645560441,166.33463106326883,167.68658871878847,3.059941520467836,2.324324324324324,2.172619047619048,1.8822463768115945,2.1224279835390947,2.1770833333333335,2.267195767195767,2.186111111111111,1.9861111111111112,0.29132831811336785,-0.16298777814660403,0.03900161049898221,-0.008535135841854651,-0.0074908575480647725,-0.015896652299909032,0.019893536127224703,-0.012949190638524247,0.03238849774479255,1211.467208842106,-18.542485451524968,-227.4288631828258,128.29007796121957,-39.095800110803,-86.17233170083097,-132.1842876066481,-238.16824101385,4.919157119114043,1833.3929407082658,-153.1843582727421,-683.0161866643408,149.8222728816953,-0.42901467449593866,87.20943039613796,-161.72504525661356,-214.0948482353474,10.217160954383736,2.1251014736842073,0.042474459833796316,0.8377657063711916,-0.13022125207756274,-0.39955208864265757,-0.5648495290858703,-0.33777939058171613,-0.4773353795013837,-0.13700272576177286,8.126575126664845,-1.0510555772029058,-3.301320887141063,0.2612350407049026,-0.03719246145695744,0.8326019928605067,-0.661785009447607,-0.493833358204385,-0.04866515916793747,44.944867069128016,-6.336924671096552,-17.940770856989385,0.6177121530520775,-0.4565976723599394,5.0402436495540766,-3.6389453161260343,-2.071072997261955,-0.49939659998390584,40.48538011695902,0.21014158202524,11.127808556478909,-2.0552477685441755,-6.885503231763622,-8.932825484764543,-4.787165281625121,-10.433056325023086,0.9944598337950138,0.00766653468719389,-0.004405075085043352,5.571658642711744E-4,-9.277321567233317E-5,-9.247972281561447E-5,-2.2078683749873656E-4,3.1577041471785245E-4,-2.1581984397540412E-4,5.997869952739361E-4,31.880716022160684,-0.5011482554466208,-3.2489837597546543,1.394457369143691,-0.48266419889880247,-1.196837940289319,-2.0981632953436207,-3.969470683564167,0.09109550220581562,48.24718265021752,-4.140117791155191,-9.757374095204868,1.6285029661053838,-0.005296477462912823,1.2112420888352495,-2.5670642104224375,-3.568247470589123,0.18920668434043955,0.05592372299168966,0.0011479583738863868,0.011968081519588452,-0.0014154483921474212,-0.004932741835094538,-0.007845132348414864,-0.0053615776282812085,-0.007955589658356394,-0.002537087514106905,0.21385724017539065,-0.028406907491970425,-0.04716172695915804,0.002839511312009811,-4.5916619082663504E-4,0.011563916567507038,-0.010504523959485826,-0.008230555970073083,-9.012066512581013E-4,1.1827596597138952,-0.17126823435396088,-0.2562967265284198,0.006714262533174756,-0.005637008300739993,0.0700033840215844,-0.05776103676390531,-0.034517883287699246,-0.009248085184887145,1.0654047399199742,0.005679502216898378,0.15896869366398442,-0.022339649658088864,-0.0850062127378225,-0.12406702062172975,-0.07598675050198606,-0.1738842720837181,0.01841592284805581,-0.5745849024072831,0.07267505946354866,-0.012101062534459108,-0.012062780198476342,-0.028798778914747088,0.04118815444027306,-0.028150899041245795,0.0782344331234573,-0.015719479295830945,-0.10191062702281357,0.0437398384708294,-0.015139691296873526,-0.03754112484353808,-0.0658129288528263,-0.12451008568329953,0.0028573857043390745,-0.0858105606118024,-0.202237178612975,0.03375332768986133,-1.0977796364424492E-4,0.02510492887463531,-0.053206510088540146,-0.07395763388834967,0.0039216110443619145,0.020527216581359843,0.2140072384194973,-0.025310339090939254,-0.0882048184779749,-0.14028272669866168,-0.0958730453099116,-0.14225786898233878,-0.04536692799375892,-0.13283117031096575,-0.22052901702312866,0.013277601963258499,-0.00214706871953486,0.054073065555429074,-0.04911932815962067,-0.03848621614738393,-0.004214057239862419,-0.14480391933166709,-0.21669383498454534,0.005676776746679802,-0.004765979507707899,0.05918648260164532,-0.04883581908591427,-0.02918419055317543,-0.007819073899700147,0.005330840012336516,0.14920967375827993,-0.020968228149395002,-0.07978771780591813,-0.11645059945110513,-0.07132195648734739,-0.16320959121768042,0.01728537724493237,1.620286566658881,0.9527362744108224,1.06689534537549,1.3015532419866738,1.4562223995784471,1.2656748874993886,1.178109005504865,0.9399264441723262,1.2188925240587811,1.1648984556906252,0.9176123162848083,1.035664842090444,1.0810269627420013,1.1013861158964666,1.1479786136522054,0.9479308047023015,1.5016977059212062,1.337050575142704,0.9095573297134758,0.9416873011823144,0.9085106051874631,1.0342593009620884,1.0184904558359662,0.9166049577329253,0.715866051027954,0.7061028869896063,1.028689414776247,1.4006223138369451,1.598044134126413,1.3620700242868249,1.4673093051226374,1.06958329528447,1.6251898508699647,1.383899446363626,0.9239993798509717,0.9373672750700549,0.8721899568660758,1.03117356802476,0.9784696993929152,0.9151649490288388,1.6451584947711915,1.3839347018517505,0.931115574855195,0.9464430528242793,0.8767021386164291,1.0376562664206346,0.9763968008461039,0.9181902082802466,0.5783980933121484,0.5022879222467557,0.8857643708118506,1.3953113882335333,1.5781874428234404,1.6337957326509993,1.801164596273294,1.0076987738135372,116.66146407195062,58.58073203597531,91.52892751005497,117.09003550052205,8.363573964323002,58.58073203597531,0.5,0.1243969200756635,0.00888549429111882,-2.9179890001048707,88.33416763699178,6.30958340264227,6.273577775108821,116.68178069428153,58.5901559262395,91.54334328816134,117.10909311559365,8.364935222542403,58.5901559262395,0.49853115819746563,0.12418307148146956,0.00887021939153354,-2.9203977869412805,88.38322890236347,6.313087778740248,6.274355126684049,134.7551299921565,66.97857051802023,104.94134702639198,134.07113945834277,9.576509961310197,66.97857051802023,-0.7979889561160292,0.0411316245976589,0.0029379731855470642,-4.467369197798854,101.60775091707036,7.257696494076455,6.469567749103761,116.70310354314138,58.600046571789576,91.5584747658465,117.12909462923088,8.36636390208792,58.600046571789576,0.49698960043777163,0.12395869574050528,0.008854192552893233,-2.9229296148272415,88.43495968559428,6.316782834685306,6.275174308230561,154.0430070581066,75.93920926471418,120.20543963167447,152.18764546209667,10.870546104435476,75.93920926471418,-2.1645885286782516,0.16541260706805655,0.011815186219146897,-2.51903718864569,264.9061430982352,18.921867364159656,7.811125820768128,118.79001857842948,59.56814347509304,93.04789018654972,119.08682003993513,8.50620143142394,59.56814347509304,0.34626837175658665,0.10232022474334662,0.007308587481667616,-3.1915070953342104,94.98612470565125,6.784723193260803,6.375223155284729,117.96415553818035,59.15947799980674,93.27424566383145,118.69451664249576,8.47817976017827,59.15947799980674,1.1765873015873325,0.23662047665983493,0.016901462618559637,-2.01781689998811,80.56420360431684,5.754585971736917,6.144676197582135,0,11.890000000000002,15.995920670931358,-0.3156658333142558,0.261496203936752,4.3013721047051785,7.427635184182673,13.0,37.0,36.0,36.0,12.0,1.0,1.0,0.0,0.0,1.0,29.11096799999999,3.5792415629749703,3.4188136090744945,3.2808433661522596,3.0221724961369727,2.7222580474877,2.5112592832208422,2.0714433889834485,1.934579282009504,1.9080824618787715,1.8201905566648202,1.7151438903833522,1.460447055325412,1.3715587541796421,1.1175326251169992,0.9119198464611675,0.8218072211622289,3.5387905101495827,3.407581165160959,3.286849819419942,2.989483081505578,2.739328114028967,2.496818157806028,2.0942557962080177,1.9297360716459824,1.8589843116479343,1.7730809599926964,1.6616101432720647,1.432622137597183,1.2883382700107628,1.0602289841524533,0.8281100651841047,0.7178861903062779,3.6851502149668556,3.5698163288577005,3.4441976708243622,3.2012587607452474,2.967910535537715,2.7542027313318855,2.4158011805289363,2.281474703096021,1.6746855362782476,1.5608031978622625,1.4469768718294647,1.1609910527535832,0.9885918390822193,0.7328420753447326,0.42265981775237943,0.29812370531313953,3.5494416953614767,3.417530942910246,3.301576522620825,2.9906311219165858,2.7671932043231573,2.51064979596844,2.124477153260941,1.9697338445817087,1.8357694514197336,1.745641646975021,1.628805621458777,1.4134624752871277,1.2345384576882714,1.0248689071188677,0.7687690464184922,0.6526681648455355,3.7259202385610104,3.6226611741937376,3.5036913218085677,3.2574239743798783,3.060757113076109,2.8356468825657233,2.5360929444345532,2.408059866366524,1.625432684716973,1.5068778537737333,1.3894899954565991,1.1056509140077568,0.8981028781943359,0.6528515864751043,0.3090003713212896,0.1680268608504665,5.068619839147937,3.541379019260846,3.517103318274746,3.2759885826896395,3.1483675419459476,2.84843770734097,2.4952837395923293,2.335863342505615,1.7722824994903221,1.6330510449907492,1.5147746134414128,1.1731471818733616,1.0727775825789758,0.7831504210708855,0.5300950970083433,0.4442516701222307,0,0,1,0,0,3,8,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.08333333333333333,0.08838834764831845,0.08333333333333333,10.648418081055103,6.8080604124904465,4.803842328271808,3.1009536313039,1.9834895175441694,1.245099760268685,0.8343056307728542,0.4206304961780412,0.760601291503936,0.5236969548069574,0.36952633294398524,0.25841280260865834,0.18031722886765175,0.1245099760268685,0.09270062564142825,0.06009007088257732,9.680457611606656,5.964690378025045,3.7382371334238536,2.2453948993433333,1.2754015428008632,0.7469517906830124,0.44841577797918053,0.22616198259430884,0.6914612579719039,0.4588223367711573,0.28755670257106564,0.18711624161194443,0.11594559480007847,0.07469517906830124,0.04982397533102006,0.032308854656329836,19.93153185426418,37.315367807720335,35.40392156862745,35.919999999999995,22.543132934131755,292.648102994012,0.5245139961648468,0.9819833633610614,0.9316821465428277,0.9452631578947367,0.5932403403718883,7.701265868263474,3.6902000000000026,59.24300000000005,62.63405507671773,97.38140765672927,125.26811015343546,8.947722153816816,62.63405507671773,0.04793517622307425,0.003423941158791018,-4.253067946634606,176.90869617420032,12.636335441014309,7.245887262121835,231,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,9.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.178369787729906,-0.018566232048374598,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.6961486678004536,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.289282272711656,0.0,9.21758083827348,0.0,0.0,0.0,0.0,0.0,0.0,-0.018566232048374598,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.128340498236332,5.050029289493575,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.050029289493575,-0.018566232048374598,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2316840277777778,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.095817873254291,0.0,0.6014814814814815,0.0,0.0,0.0,0.0,0.0,0.0,-0.018566232048374598,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.128340498236332,5.050029289493575,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.128340498236332,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1934643994573646,0.0,1.2826213589200601,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.128340498236332,5.050029289493575,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,29.666666666666664,2.119047619047619,0.5559027777777779,11.128340498236332,0.08689893550012595,-0.018566232048374598,6.298461744578073,1.6852328987150413,4.128340498236332,11.935304120883124,1.6852328987150413,4.128340498236332,11.935304120883124,6.66666,0.47619,0.0,0.02381,0.48772,0.80952,0.42727,0.48772,0.80952,0.06045,0.0,-0.06045,0.0,0.58823,0.12606,0.0,0.2,0.075,0.0,8.75,0.625,7.25,0.51786,1.5,0.10714,-5.75,-0.41071,0.0,0.0,14.30664,1.0219,17.90576,3.59912,0.25708,5.75049,0.41075,6.80805,1.05757,0.07554,0.10595,0.00757,0.10595,0.00757,0.0,13.02,2,2,2,2,0,0,0.9166666666666666,1.1674367232867007,1.7823858168196123,3.101410897251563,3.8854423157904976,4.070167316018232,4.0793387777444625,44.36259548489463,67.73066103914526,117.8536140955594,147.6468080000389,154.6663580086928,155.01487355428958,0.22245671654116503,0.33963613488442534,0.5909782269870719,0.7403765211766327,0.7755761308805634,0.7773237658665147,4.080490790156885,3.4655416966239727,2.1465166161920224,1.3624851976530876,1.1777601974253535,1.1685887356991227,0.22245671654116503,0.33963613488442534,0.5909782269870719,0.7403765211766327,0.7755761308805634,0.7773237658665147,10.299818506707174,17.889466293312637,22.9493825290708,24.896620067811966,25.082790547077686,24.73186286970481,51.436928914486664,36.309894341455944,27.771254879682022,23.074268367743997,22.23568626101701,22.374729582522104,14.0,11.076923076923077,11.0,14,3,8,2.56,1.8738000000000015,0.08333333333333334,3.8027751634921345,0.33806170189140655,0.0,10.60720334000578,3.0437173248525777,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,6.352,13.0,12.0,11.0,10.0,9.0,7.0,6.0,4.0,3.0,102.0,2.70805020110221,2.772588722239781,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.1972245773362196,2.0794415416798357,1.6094379124341003,1.3862943611198906,4.7535901911063645,1.1274509803921569,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.7692307692307693,12.0,0.9230769230769231,0,6.0,12.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.16666666666666669,0.08163265306122448,0.0625,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.11538461538461539,0.05128205128205131,0.03125,0.021818181818181827,0.01666666666666667,0.009070294784580497,0.008928571428571428,0.004115226337448558,0.005000000000000001,0.005509641873278237,0.2759696940198383,62.63405507671773,97.38140765672927,125.26811015343546,8.947722153816816,62.63405507671773,0.04793517622307425,0.003423941158791018,-4.253067946634606,176.90869617420032,12.636335441014309,7.245887262121835,26.3,231.05226891152236,4.807354922057604,3.970291913552122,4.634728988229636,5.332718793265369,6.018593214496234,6.727431724850855,7.422373700986824,8.137103389639302,8.836809882398365,9.5551350238842,87.63518663130291,3.295836866004329,0.0,4.3694478524670215,0.0,5.58724865840025,0.0,6.874198495453294,0.0,8.20166019080868,8.516593011344206,200.177630008,5.267832368631579,26.649341707753724,1.9035244076966946,5.448519245577934,5.448519245577934,0.0,420.0,12.0,4.689,52.0,1.2398918918918918,2.13507524660093,2.861341326576135,3.63338188360337,4.920101553350972,5.9248505772267785,7.160676375074685,8.199147886039391,9.472652671406511,10.588723723432656,88.57272509091887,89.64175284275804,89.95691401503562,127.76658992228721,161.25095272638325,202.85742202596236,204.69305799393007,221.10815940115532,208.99571047517776,201.1700936431149,289.3041553433092,330.15467342012306,348.7875255381572,481.2569595279771,623.1963465466306,787.2523687420043,861.4895463609448,928.2138748605917,1049.0546586420587,1123.8968582866796,9.310174364108112,15.811064600398543,20.848622743442316,26.98472053035064,36.65658137436797,43.89428258214243,52.98984404119092,59.73783123897414,69.4524404851679,73.95295976406729,2.093746279154594,2.6186526603351212,2.858249662295956,3.84316307843791,4.997967850085848,6.3372597288537005,7.132712306145966,7.83460373242146,9.06706970109715,10.323150379656841,179.05167236094175,333.99328904848204,473.48404950930797,592.2080824508535,813.1151174890723,962.2506254137629,1180.8091255191744,1361.5984867997122,1578.488693820867,1740.83445588056,2.9611779279279276,4.818972657023435,5.50938682641318,7.964989110365313,10.92192879751911,13.668375150286325,15.872033564516848,16.73658527101035,18.474374973903586,15.34914340649962,0.4558086486486486,0.5881989940636991,0.6536334666263851,0.890929732923882,1.1631174716065247,1.4581346616909532,1.6495503683192494,1.8020451725103528,2.0552045300622885,2.2187283923564105,560.6569698151202,591.1652589386373,17.338707385593118,220.42243634396073,-232.41677830230492,-23.275543797689497,340.23453347115947,823.5820372409422,40.61425118328262,0.71779765974387,0.7568567987801175,0.022198392697171908,0.28220234025612967,-0.29755845112496665,-0.029799203018481588,437.917613042144,461.7470093936702,13.542907268305147,172.16742568367872,-181.53595917777113,-18.180047927529,0.24795686102587328,0.29932172951648317,1.536188053174478,3.4267858952094064,729.0330497286025,52.04635643047867,0.9333661135857952,0.06663388641420469,958.4740055061644,30.95923134553189,9.859618544690194,1190.962871469068,34.51032992408314,10.59984238364503,1687.606181998813,41.08048419868993,11.905757593289588,3.33287615288681,3.3326594051080987,4003.1172916168434,3919.8216618216557,120.00042456291703,1.0212498519018025,33.359192737838875,32.665064945386646,6.226156429081937,8.108225633110866,15.890937782035195,0.9598539188577504,6.706839340034837,9.984132226910795,5.022105117574281,40.26432691501163,13.999657915887425,1.7334770693017105,10.226407989736561,13.216875040415793,24.4786602257733,2.5862636839505364,7.075756720932784,16.708737666983243,6.07166092540976,8.83043568781529,2.86664533682506,13.786526552296525,3.3995296492505584,4.268856245032326,0.46348844662666566,1.295504486696281,16.147543825032383,6.025982067824367,1.6677876819466866,0.15734450499006356,0.5084439367418533,4.882189746930554,7.479790999141548,0.468892559744353,2.1187411796934295,0.0018758473654888201,0.5793660714300284,10.134844726423827,0.41921145014931177,9.538619739745029,0.17807123683972106,1.689189297334031,1.40894025739537,0.717092583180649,7.350748141453704,0.23897089751844497,4.76594274853666,2.5599259646662924,0.782260031622541,2.713967063760445,0.06942182224839832,4.759652016568568,0.21199303809069803,0.8984694967823849,0.006864148618808267,0.06567891988382944,3.109150592292151,0.2917554465260953,0.8521943578228748,0.002480409236828035,0.01804146477138561,1.084965869849348,0.34941024077447175,0.45265119424493816,0.01780858972472987,1.1265575720848714E-4,1.822846866232705,9.85377957393961,1.1087707654670123,11.624230273163526,1.1244756462091507,1.5166486694952162,2.628155500419192,2.0434609225729155,8.072048915768564,0.46960101425277334,4.739515108749569,3.59730002595402,1.3121626040039045,3.2052548770819826,0.3368815414489139,5.7741404140909784,0.566721708309347,1.2359680728128528,0.037625041031186045,0.16414044010605738,5.281158111647226,1.0828087760420226,1.0052703453044567,0.01506486349431956,0.07446801162404688,1.8072065490230436,1.3113297135491149,0.45594840471380715,0.16291854552638751,3.931674797792454E-4,6.33582434177348,10.134668436398325,5.211223310049473,38.69253977416719,12.739054467796995,1.815558299379121,10.575057544112212,12.65886436912754,25.165940782988777,3.021852761757973,7.0809000545153085,16.158490942577615,6.2458928271452905,8.915799167531206,2.588028389300825,13.409278217631938,3.1560751519761467,4.5498506559132155,0.4144651575851834,1.3432480955648751,15.176206923563615,5.540708977733256,1.6131157526620463,0.14113285193009675,0.4629710619440095,4.6310285451762025,6.868674944125659,0.4678919077192795,1.8897474856447758,0.00173981932808436,2.678959149486802,9.74699990857699,1.5146053221400007,13.96873614135599,2.267759313136297,1.459798473782315,3.3938620803627186,3.155380646905397,9.025725891483358,0.53254424049679,4.885366361626832,4.8220058812784385,1.6637208851834286,3.681870298302063,0.6106036161133608,6.7284535390944855,0.8923429145545154,1.4170027220798884,0.07733547759295135,0.2321543374232625,6.917488104851005,1.7385010974160644,1.1143321362265606,0.029353090971688055,0.1261710943084886,2.318695481326333,2.1182004843556776,0.45821718045607895,0.3467788282132928,6.093034900341413E-4,8.09950283730373,10.079720527210728,6.637065188932926,54.258563529328015,20.40549785417778,1.8606659413848592,13.328492900559628,18.311524080326528,32.158580177498536,3.7154261115618077,8.03464938786443,22.265849544717923,8.389131887253797,11.194852360663717,4.020152382978317,16.703227647711767,4.599441014300661,5.788602244311774,0.6725397014606377,1.8809715994532417,19.940549877936938,7.975135534296157,1.8755972884205823,0.22501148625459666,0.6943527326735577,5.833356663191572,9.940723025278325,0.4726047533485201,3.0805712879739406,0.0024113883116400493,4.324126780634461,10.012933745128564,4.157922480852801,30.5989485295352,7.191664940247106,1.8704461963532681,9.047548026693919,10.19469929895293,30.50919373233321,2.9529445174248172,6.4511143129506365,16.25493653275904,7.585287840547435,10.311121201891506,1.249189680496496,10.236483818189406,2.077924617867021,4.9960564939911,0.18872854669640815,1.0171487106886754,10.479166686147858,2.997677328800598,1.527839424572627,0.06516542776278061,0.2361661542305724,3.977182599670295,3.688677173790549,0.7212529029237944,0.8452296734469427,0.0012423349394204437,24.16599398641012,0.8346681973904673,0.479208007894737,0.9484347370924426,0.03275794543343127,0.5772615772513188,0.5814859882596287,0.578933972753212,25.479870191695323,32.15110415993417,67.29688099287023,0.922652105638664,1.7376815382641593,19.566741561241162,0.5210824301389421,0.09163039273968909,0.9696367993298766,0.02582242414586826,0.37853704348392975,0.22592892705961248,0.02116703353305977,20.179454384119794,12.03654044424809,33.15024779747907,0.9544551989948148,0.625633004076602,22.199797981664354,0.5893968471528099,0.24751314967065793,0.9636705905372854,0.02558511605491555,0.48717175201995183,0.28991227228579675,0.15444628103013627,23.036707978487822,18.72511632836109,45.00040787070648,0.9455058858059281,0.9315303053358849,23.70912538098544,0.8372221761211298,0.4606323139477691,0.9481003105228564,0.033479539730034216,0.5556532495554622,0.5850412993494412,0.5349210689723304,25.00697987105434,31.15664641959351,65.3070881504375,0.9221504657842845,1.675615617877234,23.236398736994456,0.6391285291750108,0.32252839262096133,0.9602589176851228,0.02641239189574451,0.5337069150544691,0.3409494771656188,0.26225079064153445,24.198055658790427,22.551580780234918,51.53952022388883,0.9403883765276843,1.1369071828616222,24.30562834032782,0.870690627137261,0.5066810527066418,0.946370296353148,0.033901437778040354,0.5839521982075271,0.6327609540246173,0.6472174681080768,25.683000020171725,33.91904658031861,70.32477699087747,0.919555444529722,1.8639306203402213,23.817635220357147,0.8476770401811757,0.46351907096708667,0.9478210469141737,0.03373324564912798,0.5607570373839394,0.5997204730088261,0.5416467187850124,25.12883133150541,31.622505151825088,66.10963010131238,0.9217315703712606,1.702124229177778 +UMLCN0353,L,butyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCCCC,Esters,Olefins,C22H42O2,NREL (2014),Blend,PubChem,,102,0,-2.7071000000000023,7.328390410000012,84.42349999999999,68.32930599999995,0,0,66,24,42,0,22,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3728.421351999997,3970.2720830000044,4549.240411000011,4383.840918000029,4214.257853000027,3973.6211599999997,3786.986767000001,3442.4714730000005,3203.430152000001,11055.670658513069,14197.464428775851,18770.336643750823,19626.98051293816,18628.790707079323,17710.05677605269,16968.73313221194,16095.027126271249,15028.690356025309,474.7702719999995,479.85251600000043,901.1302120000009,1221.3739440000031,1143.8390600000027,1080.8143280000031,1011.6671560000025,989.3286600000026,938.3410400000024,81.31595000365779,106.56488101999989,153.5753243435272,169.17101166997762,158.99595425833652,150.84520907494033,144.89787199784615,139.07731136384598,131.11915597554372,10926.919790603459,9427.064110986797,19315.362212887878,28224.34432112995,26191.169459362434,24717.727060982106,23078.99651037107,22677.79800713643,21752.795934154885,160.27777777777777,139.75,242.58333333333331,289.66666666666663,287.41666666666663,272.25,258.33333333333326,246.58333333333331,219.66666666666666,56.491232606060564,61.08110896923084,36.68742266935492,25.636496596491398,26.504766371069355,26.49080773333333,26.85806217730497,24.945445456521742,24.26841024242425,167.51016149262225,218.42252967347463,151.37368261089372,114.77766381835181,117.1622057049014,118.0670451736846,120.3456250511485,116.63063134979166,113.85371481837355,7.193488969696962,7.3823464000000065,7.267179129032265,7.142537684210544,7.193956352201275,7.205428853333354,7.1749443687943435,7.169048260869585,7.108644242424261,1.2320598485402696,1.6394597079999982,1.2385106801897354,0.9893041618127346,0.9999745550838776,1.005634727166269,1.027644482254228,1.0078066040858404,0.9933269392086645,165.55939076671908,145.03175555364305,155.7690501039345,165.05464515280673,164.72433622240524,164.78484707321405,163.68082631468846,164.33186961693065,164.79390859208246,2.428451178451178,2.15,1.956317204301075,1.6939571150097463,1.8076519916142555,1.815,1.832151300236406,1.7868357487922704,1.6641414141414141,0.34441126120754956,-0.1628683813454962,0.011964611776061902,-0.008827127571014563,-0.006892865053473465,-0.014760398448855464,0.023533512236375412,-0.014596266285815007,-0.018404241173333474,1991.5469917575765,-19.907325367304097,-612.2969223627113,137.50093959779772,-38.91147380991501,-84.64871120660976,-127.8984999972435,-238.11313934159648,-3.6232792727270535,3280.9551750105597,-151.68024655577807,-1376.7702339791676,170.84774131839015,-9.853850033516395,77.52091711688725,-174.49909246185558,-224.28923040276658,3.249438749481932,2.317104484848477,0.05903212855829431,0.8083371496785912,-0.02791010468319266,-0.23554165289256723,-0.3846946776859564,-0.19224309641873522,-0.3361247713498625,-0.05844218181817473,14.615489296360504,-1.018802137262054,-6.296404780422964,0.4396740031860947,0.004242147932817214,0.8748747418431467,-0.6858992438942644,-0.47378448738267,0.007112707636372423,80.24325696016052,-6.108163573504441,-33.99886535040741,1.7861286085771448,-0.0028620872095554972,5.509891393896207,-3.640495895847426,-1.7765163892296671,-0.0028017214696571813,43.83164983164995,0.7297724721967125,10.1875063769003,-1.0461432506887,-4.543924089378646,-6.36738598102237,-2.291857973676147,-8.044459749005238,-1.7138047138047063,0.00521835244253863,-0.002505667405315326,9.64888046456605E-5,-5.16206290702606E-5,-4.335135253756896E-5,-9.840265632570309E-5,1.6690434210195327E-4,-1.0577004554938411E-4,-1.3942606949495057E-4,30.174954420569343,-0.3062665441123707,-4.937878406150897,0.8040990619754252,-0.24472625037682397,-0.5643247413773984,-0.9070815602641383,-1.725457531460844,-0.027449085399447376,49.71144204561454,-2.333542254704278,-11.102985757896514,0.9991095983531587,-0.06197389958186412,0.5168061141125816,-1.2375822160415288,-1.6252842782809171,0.024616960223347972,0.03510764370982541,9.081865932045279E-4,0.006518847981278961,-1.6321698645141907E-4,-0.0014813940433494794,-0.0025646311845730426,-0.0013634262157357108,-0.0024356867489120472,-4.427438016528389E-4,0.22144680752061371,-0.01567387903480083,-0.05077745790663681,0.002571193001088273,2.6680175678095686E-5,0.005832498278954311,-0.004864533644640173,-0.003433220923062826,5.388414876039714E-5,1.2158069236387958,-0.0939717472846837,-0.2741843979871565,0.010445196541386812,-1.8000548487770424E-5,0.036732609292641376,-0.025819119828705148,-0.012873307168330921,-2.122516264891804E-5,0.6641159065401507,0.011227268803026345,0.08215730949113145,-0.006117796787653217,-0.028578138926909726,-0.04244923987348247,-0.016254311870043597,-0.05829318658699448,-0.012983369043975047,-0.480164464341233,0.018490281311608864,-0.009892131594919284,-0.008307478847955956,-0.01885703532087075,0.031984106849777566,-0.020268858172011277,-0.026718407970758376,-0.010149693677866773,-0.1636416193816981,0.026647896489523627,-0.00811024424315291,-0.01870175952917813,-0.03006074334434814,-0.057181777556709494,-9.096645190203228E-4,-0.04694175342093379,-0.2233486960146633,0.02009818177143985,-0.001246672738340556,0.010396119944345356,-0.024895319168290075,-0.03269436997602239,4.951970655117947E-4,0.025868628516084607,0.18568172888955697,-0.004649044173982554,-0.042195769547897305,-0.07305050734166166,-0.03883559452194552,-0.0693776765266187,-0.012611037223467387,-0.07077943100779091,-0.2292986675904556,0.01161088312753811,1.2048119355079039E-4,0.02633814568950778,-0.02196705249041511,-0.015503591862543511,2.4332772896435302E-4,-0.07729166980184246,-0.2255163979215946,0.008591163891488066,-1.4805433443244815E-5,0.03021253504849613,-0.021236200688371596,-0.01058828249620616,-1.7457675422174044E-5,0.0169055863478969,0.12370929333577772,-0.009211941360545248,-0.043031854297532875,-0.06391842064833315,-0.024475113018635253,-0.08777562171441564,-0.01954985404824076,1.5736503542961047,1.0209897907559449,1.0192738409836601,1.163377021843079,1.2269452043612212,1.0372462818369943,0.9688785397799694,0.859483573327916,1.288567337663093,1.2763264616914807,0.9435054929831348,1.0111413575329804,1.0286729088720605,1.0303157257532445,1.0487753356606417,0.9532288874500543,1.4566942975840433,1.3883828836625982,0.9498649673201635,0.97584888830467,0.9633011144968487,1.023017038518836,1.0164543316336114,0.9762936668313436,0.7486636927006936,0.7388031240939101,0.9617362054346573,1.2249363605097852,1.3157127296596753,1.0654730929973348,1.1146497468823147,0.795706391550753,1.523386971886966,1.4128377624963813,0.9567375903596804,0.9731548073191283,0.9460475415343289,1.0214406581606772,0.9993660214039664,0.9760510887357101,1.5346291852574934,1.4115647305513503,0.959069811365865,0.9757512390910421,0.9454807233767799,1.021530793836325,0.9953340943666572,0.9734760286308903,0.6083883853126424,0.5468033715104135,0.8426490446426383,1.2280166503853847,1.308288523582728,1.2686556339340258,1.3575768000160278,0.8032627899830982,362.2008662917854,181.35043314589254,288.07944060371744,362.65919962511845,15.110799984379934,181.35043314589254,0.49999999999965894,0.10049462897108291,0.004187276207128454,-5.514362390363858,237.98468041000862,9.916028350417026,13.133295128579018,362.226941329356,181.36273624377665,288.095563114195,362.6839282243702,15.11183034268209,181.36273624377665,0.4985311581972667,0.10035915574734361,0.004181631489472651,-5.5175999274282965,237.91938422595408,9.91330767608142,13.13263654692629,385.49476756692457,192.34838930540423,302.81208303497357,384.7632776904848,16.03180323710353,192.34838930540423,-0.7979889561161144,0.019891941559086412,8.288308982952672E-4,-9.401857382506456,229.93753542132052,9.580730642555022,13.0507384485902,362.25430798017635,181.3756487903069,288.1124851162781,362.7098817805773,15.11291174085739,181.3756487903069,0.4969896004375016,0.1002169732210505,0.004175707217543771,-5.521002507007586,237.85109241534676,9.910462183972781,13.131947557782869,410.48591906098477,204.16066526615296,319.3753491698582,408.5017129096958,17.02090470457066,204.16066526615296,-2.16458852867882,0.1464506852795065,0.006102111886646104,-4.610559663471621,328.6355477792608,13.693147824135865,13.907878510172832,364.93368257713666,182.6399754744465,289.7735934707572,365.25109525124674,15.218795635468613,182.6399754744465,0.34626837175630953,0.08630295058039789,0.003595956274183245,-5.879739580007016,232.21875661981468,9.675781525825611,13.074431625274917,374.87847495492076,187.5507209750149,299.13419474007924,375.6605095869551,15.652521232789791,187.5507209750149,1.0427128427124046,0.1370222160142805,0.005709259000595021,-4.770269293469896,214.16243572353744,8.92343482181406,12.880163454071154,0,11.890000000000002,15.995925717758162,-0.31569915441079144,0.2615318921550914,4.311842985770914,7.804213958450468,23.0,65.0,63.0,63.0,21.0,2.0,2.0,0.0,0.0,2.0,48.788693999999985,3.5943379643231004,3.554794115603814,3.458004642074212,3.3653744994560975,3.267118824045023,3.1420330733202193,2.9517025641322836,2.7679854615944484,1.9468198626164708,1.90525715498348,1.8281105186469089,1.8047169626179758,1.7109493493397954,1.5758783843119721,1.449073769548304,1.383905524765252,3.604209540056948,3.5290112973602783,3.4588303986803575,3.3827134649613853,3.2777922532860218,3.1435754719190765,2.947767868793526,2.789440033595676,1.8932705916654777,1.8516633213200986,1.7877728305255827,1.7421803113270302,1.651611952984063,1.5238808857231105,1.4003963103199737,1.3058587724201507,3.7155792950827484,3.6696227898464135,3.6023371988865547,3.5259278209775387,3.4303538542739087,3.307434210378918,3.1441069584637593,3.0006797706332544,1.732136344059461,1.6694512418303515,1.593761270330584,1.5443898273937628,1.441620909915409,1.3034742290345178,1.1349938239198973,1.0184679674439723,3.6212154552787283,3.5428955772654684,3.4689630540554695,3.4007631081016876,3.2957616968075327,3.1568273100718836,2.9599220000854802,2.812891243069814,1.8612080930096235,1.8231897969956192,1.764624547112974,1.7024188135525782,1.6152497350563249,1.49466005027513,1.3658135133109321,1.253879009439321,3.7656082664302453,3.7151091151749926,3.650621248133117,3.58876887011253,3.4921368176563936,3.365135119683095,3.2129587072263495,3.088942699907633,1.6837153523839787,1.6175077504621538,1.5463947500354382,1.484722847105719,1.381410420835494,1.2467084361469802,1.069733532780948,0.9353516894578267,5.065684163488264,3.702883088552538,3.537666028007468,3.52753844956689,3.4594886309615687,3.29739848878386,3.18069982985346,3.1043317276030282,1.8121263111885817,1.7795130702592086,1.644808939704954,1.6254530845659514,1.5392123070534325,1.3479962350217403,1.2052892807140905,1.0855097492067214,0,0,1,2,0,3,16,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.08333333333333333,0.08838834764831845,0.08333333333333333,17.71948589292058,11.808060412490448,8.339376234204547,5.6009536313038994,3.751256470510539,2.495099760268685,1.718189107256039,1.0503810964856393,0.7383119122050242,0.5133939309778456,0.3625815754001977,0.2545888014229045,0.17863126050050188,0.12475498801343425,0.09043100564505469,0.06178712332268466,16.49201239947829,10.614520292286103,6.908312266964154,4.4036431898071955,2.7425879793732553,1.7427426025816106,1.1230834311664977,0.6899732433494189,0.6871671833115954,0.4615008822733088,0.300361402911485,0.2001655995366907,0.13059942758920262,0.08713713012908053,0.05910965427192093,0.04058666137349523,34.80798208833704,64.30589949016762,60.93333333333323,61.760000000000076,39.73012335329347,506.6450934131737,0.5273936680051067,0.9743318104570852,0.9232323232323216,0.9357575757575769,0.601971565958992,7.6764408092905105,7.293390000000009,105.04900000000008,192.06795082598492,304.4507914202721,384.1359016519699,16.00566256883208,192.06795082598492,0.07599339997826465,0.003166391665761027,-6.185061083659392,276.2210321165996,11.509209671524983,13.49088332692145,761,0.0,0.0,2.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,19.0,3.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,17.0,0.0,2.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.57389726642846,4.712572927426233,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5056224491782685,0.0,0.0,5.81294024830781,1.149423368788899,0.0,0.5056224491782685,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.377975420209296,0.0,20.00222105260268,0.0,4.7254641907479344,0.0,0.0,0.0,0.0,-0.012891263321701318,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.420421384891952,5.153475881536508,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.153475881536508,-0.012891263321701318,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2514769219669528,0.0,0.0,0.21259071167196744,0.30796889348025713,0.0,0.2514769219669528,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.108804778069278,0.0,0.5976270278543006,0.0,2.358273151506654,0.0,0.0,0.0,0.0,-0.012891263321701318,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.420421384891952,5.153475881536508,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.420421384891952,2.3671910392412805,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25414552721131567,0.0,0.0,0.5597050045913683,0.5194926697530864,0.0,0.25414552721131567,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2691706421400184,0.0,1.4133694137377173,0.0,2.3671910392412805,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.420421384891952,5.153475881536508,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,45.66666666666667,1.902777777777778,0.5597050045913683,11.420421384891952,0.037569538456122764,-0.012891263321701318,12.857303570422689,1.679557929988368,4.420421384891953,14.354673754771383,1.679557929988368,4.420421384891953,14.354673754771383,11.66666,0.48611,0.0,0.01389,0.46869,0.76389,0.42973,0.46373,0.76389,0.03896,0.00496,-0.034,0.0,0.63636,0.07793,0.0,0.11429,0.04286,0.0,14.75,0.61458,12.25,0.51042,2.5,0.10417,-9.75,-0.40625,0.0,0.0,29.9515,1.24798,35.87415,5.92265,0.24678,10.20759,0.42532,11.80805,1.60046,0.06669,0.10595,0.00441,0.10595,0.00441,0.0,23.02,2,2,2,2,0,0,0.8636363636363636,1.0961391592565068,1.9271558218812996,3.1711008672843786,4.096103491722837,4.5629632479824345,4.7237689760443615,72.34518451092946,127.19228424416578,209.292657240769,270.3428304537072,301.15557436684065,311.7687524189279,0.1813480619580859,0.3188335809720241,0.5246350262184685,0.6776698227873985,0.7549082931850154,0.7815124035203942,4.948254960101947,4.1172382974771535,2.873293252074075,1.9482906276356164,1.481430871376019,1.3206251433140919,0.18069947949014376,0.3176932882742313,0.5227586947242155,0.6752461698331422,0.7522084006216359,0.7787173626584752,9.203044451924114,17.364309761984586,22.690794710336803,25.645214217273057,27.36646596633572,26.52924137091097,89.61234858606497,63.71327634762486,47.21945206614096,35.361649010271194,29.322657696887156,30.455024175041626,24.0,21.043478260869566,21.0,24,3,18,3.6599999999999997,3.239799999999998,0.045454545454545456,4.386859157067171,0.21693045781865616,0.0,31.312221175313205,3.1990841363812454,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.446,0.43,0.658,0.21600000000000003,11.282,23.0,22.0,21.0,20.0,19.0,17.0,16.0,15.0,14.0,214.0,3.258096538021482,3.332204510175204,3.332204510175204,3.332204510175204,3.332204510175204,3.332204510175204,3.258096538021482,3.258096538021482,3.258096538021482,3.295836866004329,5.655991810819852,1.3317757009345794,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.0,0.8260869565217391,21.0,0.9130434782608695,2,11.0,22.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.16666666666666669,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.06521739130434782,0.028985507246376826,0.017045454545454544,0.011428571428571434,0.008333333333333335,0.004296455424274973,0.003676470588235294,0.003086419753086419,0.002666666666666667,0.0023612750885478157,0.16582082533251785,192.06795082598492,304.4507914202721,384.1359016519699,16.00566256883208,192.06795082598492,0.07599339997826465,0.003166391665761027,-6.185061083659392,276.2210321165996,11.509209671524983,13.49088332692145,26.3,401.37565646939146,5.584962500721157,4.532599493153256,5.209486152841421,5.905361848054571,6.594413459749778,7.29641326877392,7.990576881743923,8.696008608880904,9.393078508655353,10.10082086695052,112.71875908880364,3.8501476017100584,0.0,4.9344739331306915,0.0,6.1463292576688975,0.0,7.418780882750794,0.0,8.726967774991493,9.048644632975885,338.3184805840012,5.126037584606078,46.6490781961618,1.9437115915067418,5.452198496865541,5.452198496865541,0.0,2215.0,22.0,9.863000000000005,92.0,1.2350105462147198,2.1414479644044677,2.8889657754133924,3.672084011000001,5.001640470005441,6.0326223516385,7.333049440121586,8.432972328006285,9.741684728868234,10.89411185526069,87.53836881749199,87.87331851174022,88.9478097225175,123.27291190686744,154.95367596509632,189.8315430668025,207.57597655876967,232.18775980661897,263.98268233003057,293.31061723295096,296.8571365806731,347.8300257603444,367.3233389173455,505.7581545986834,651.7669216785854,807.8042338413327,924.6767605052205,1041.77964117577,1183.991890071346,1324.2835867618014,9.167809904523915,15.63683322385661,20.71126846496863,26.63680426517999,36.19775938123859,43.482025091157844,52.734389266393855,60.180059761316755,69.54030444022438,77.40781840030606,2.1677959765521453,2.789392319119958,3.056748072184731,4.143041435280285,5.395632693849977,6.712845937694238,7.814921944793655,8.887426101101951,10.11955739443948,11.376911832250663,176.886801144922,329.9798403028046,472.693649757327,589.9950135131955,814.4695137522783,971.5997787231053,1192.995452759733,1373.981178858241,1592.6734288206276,1776.08093188468,2.7456898532971175,4.339854591193077,5.033787669778749,6.9726742292006,9.328910025125635,11.374846792627666,13.365171027937196,14.420816316913639,16.99072131483306,18.237360915681524,0.4611612157906039,0.6078122364538687,0.6743777551816467,0.9170583621773856,1.195122729062435,1.4758493685877174,1.7196958578693726,1.9455421252333625,2.22146302084654,2.4859324542723633,810.8200620499907,1307.3081402697414,24.861064355104904,149.63464713910446,-241.2601777227374,-19.25854420677265,661.1854149108863,1548.5683179924788,44.119608561877556,0.844204369339352,1.3611346040184364,0.02588468161720496,0.15579563066064814,-0.25119370587128637,-0.020051486053967605,778.7559469009079,1255.6102596833111,23.87792633531366,143.71730150260143,-231.71947383360117,-18.49695947552116,0.1621564875965979,0.19574759947726225,0.8261356633688459,2.3413611445826645,911.046914251012,49.40779493808321,0.9485579127621773,0.05144208723782285,1588.8319216598122,39.860154561413985,11.668794340729502,2008.323508311482,44.81432258008016,12.616664580314582,2845.921707455356,53.34718087636268,14.171233351360815,5.4629138274313815,5.4629138274313815,23220.078892908838,23107.87870085466,172.12201039799766,1.0048554951108526,134.904762262636,134.25289797291074,9.162916612705843,14.565733387989772,29.080389424662112,0.9964933210050688,16.685775463393767,19.09618693989769,8.618438933309239,84.51046204893632,40.889804604610504,1.8034346857406234,21.575744866137686,13.305737396642815,66.54757048267169,0.6828314107732494,2.1147459738991414,51.19402103268341,3.9105993091379956,75.75397168945848,0.01728210178911029,3.3085038806750657,38.00357356343693,2.0623681559197435,72.0427011960967,2.570877437054367E-4,2.2553191020136722,28.52110121136708,2.757986253505374,67.59057568567118,1.7595073628270616E-4,4.757744746126354,16.308152556621504,3.7602828236288572,48.96819532436144,2.4109579051243333E-4,1.4076563648549263,19.367433979997973,0.7442591286019662,20.516949805453876,0.3508424788094154,0.2332657557793616,3.534960806581045,0.2308876403071494,19.17416004805757,0.0048221533027289765,0.5018535648437014,5.898438785698259,0.14787889647720917,16.117446643300188,1.9506166599881822E-4,0.6496750217993579,2.4776367485749047,0.10398243511632856,13.583150030943782,1.3320206752806357E-5,0.8538773745833274,0.6540887821158892,0.1324815179495979,9.85146035071062,1.4299493404491722E-5,1.7915996410474542,0.29202687694742396,0.15246242435749688,7.086117477381759,1.989121994438096E-5,4.523021523372408,18.832623174115596,2.2278276899476346,24.0634488000374,3.0853137956366,0.5465433355114732,6.872580353258757,1.1430004886205491,24.120982762311066,0.05014858116857151,0.6684948680229843,12.801144446492554,0.5471162653202748,24.263023868643124,0.0014568348498736712,0.860630981402797,6.165229203182286,0.38114581331573494,21.276071177799217,4.843887813257232E-5,0.9473971507189501,3.1688019161303997,0.49280651105606504,17.629330704907606,4.646807192807089E-5,2.0480255080784446,1.5593777593984182,0.5985140919021938,12.633525694041722,6.443681840951268E-5,15.75228127342372,19.38143423987091,8.464450597131643,78.49169742956666,36.60617975987766,1.7099710910213304,21.36411733054758,12.268443428427297,64.88138891110202,0.6083995917255294,2.0509476058807894,48.54785469057913,3.663548861363629,72.69448922645682,0.015448541266495322,3.0428074137493466,35.0138407120884,1.8991651801350131,68.43712225755728,2.369855211757604E-4,2.1614361644639395,25.75938647524713,2.535135433410421,63.57145375662927,1.657617806026061E-4,4.540318299996538,14.799468785815206,3.436689502973187,46.039498153221395,2.273390792228028E-4,6.662732126057758,18.63042926489281,3.1888220970349495,29.2601817425027,6.567955336152389,0.764013238698613,9.026929030064283,2.1944565052791996,28.557478039230773,0.10889799919860259,0.8108880689933803,18.25570362059319,0.9018421781639337,30.750374807486732,0.0029839646707199474,1.104672963524906,9.762923830756845,0.6077939697837248,27.679140162427448,7.68935082175957E-5,1.0641158433888864,5.822562340290711,0.7922964485923735,24.022228519431863,6.879658479137214E-5,2.3307898965984606,2.9783862597466713,0.9909348670916284,17.227882978950678,9.519619730796278E-5,20.150498326012606,19.285875254240946,10.710431530520687,114.32996827173893,59.599041643029686,2.1649319987455553,26.4243601810761,19.36886890043079,84.20473272445398,0.9958042613341098,2.766249416400692,64.37697723876533,5.4240113928407485,95.60712437225695,0.024965105691815856,4.460363766354896,51.65275072818689,2.7160903859946246,91.72160984224374,3.3739759515362297E-4,2.8640431219141913,40.27532153984218,3.653638398821168,87.26639144431674,2.1400877657258932E-4,5.920789631690534,23.409802066202655,5.075047977160301,63.412162399464115,2.922745056878914E-4,10.480203502081975,19.162905338547358,6.280995796786795,50.675828644759854,17.11463328941684,1.1003434144700583,17.01120036100446,7.851670906459979,55.49448669004578,0.26727124079792197,1.4237924697582762,37.108817471743045,2.5850132415689027,55.89349019188406,0.006950310632417824,1.745373320129047,21.638694080914252,1.0351275647031137,50.094320731070205,1.3020052166922853E-4,1.6325295795708108,12.830742995918062,1.4623528573849396,42.03175696503336,1.0210363518463537E-4,3.5853065209606685,7.90006731591416,1.790915720651418,30.76455822602447,1.4066379048374304E-4,73.63190901838088,0.853791937344808,0.4504285482365649,0.9825955717994161,0.011393595359093955,0.5576448162569148,0.6700437813552579,0.5757070397779752,74.93612950396225,96.41681639707049,199.6697357690412,0.9738933576991242,1.8033956373901479,68.64789725899641,0.4230660641961342,0.0885063048629312,0.9926030032935426,0.006117254317758847,0.4847194942219171,0.16290650309891505,0.022227884978052077,69.15946962805548,35.15581144576302,106.88573390362393,0.9889045049403138,0.6698538822988842,70.54011872836043,0.5620396271860683,0.23137812067188962,0.9888773529667567,0.007879037756293556,0.5117948528981591,0.2901608580857538,0.15191277661129546,71.33353647621838,56.09782580777013,136.60465839480946,0.9833160294501352,0.9538684875952083,73.46092924849319,0.8469238026495425,0.4363685985725269,0.98283088146618,0.011330960226177817,0.5550560444710951,0.6591096369886451,0.5403270440499197,74.74422164971526,94.64142324416326,196.53467051421757,0.97424632219927,1.7544927255096598,71.45526357819158,0.6363148004254732,0.29876140401672974,0.9870828592979403,0.008790051301542905,0.5251630792320862,0.3721748295447425,0.25327872236087756,72.39033978263377,67.00622295728431,152.98065874093032,0.9806242889469102,1.1506166311377064,74.02667611374977,0.8939227763383422,0.4777918273032252,0.9818071103296749,0.011855992784898399,0.5636400978242692,0.7345043361757028,0.6477794358023841,75.39839071739134,101.97058168104961,208.98643176794795,0.9727106654945123,1.945923869802356,73.51647345216108,0.8531561101847956,0.438615816524749,0.9827322253026082,0.011404573197298477,0.5558952465430145,0.6686728528202965,0.5459065434680695,74.80824537887062,95.340724320081,197.65940483869443,0.9740983379539122,1.7704746428313807 +UMLCN0354,L,cyclopentane,C1CCCC1,Naphthenes,,C5H10,BioCompoundML (2016),Unknown,PubChem,,6.1,0,-1.4400000000000004,2.073600000000001,14.558,15.467930000000003,0,0,15,5,10,0,5,0,0,0,0,0.0,0.0,0.0,0.0,0.0,731.4812450000002,842.3914849999996,968.5426849999996,262.4630400000002,20.32128,0.0,0.0,0.0,0.0,2428.421953055953,3264.950672451836,4567.735558311672,2916.4072160289825,621.6748886186051,0.0,0.0,0.0,0.0,104.88721999999997,108.8789,213.64754000000013,276.7219200000001,134.36927999999997,0.0,0.0,0.0,0.0,18.390629048489995,25.07994310000001,38.43845072424504,31.16314429697998,8.892258096980004,0.0,0.0,0.0,0.0,2483.1483006924905,2165.1972575790005,4621.010994829247,6760.803994742982,3698.3530404849803,0.0,0.0,0.0,0.0,21.25,26.25,46.25,50.0,20.0,0.0,0.0,0.0,0.0,48.76541633333334,56.15943233333331,32.284756166666654,6.561576000000005,1.016064,0.0,0.0,0.0,0.0,161.89479687039687,217.66337816345575,152.25785194372241,72.91018040072456,31.083744430930256,0.0,0.0,0.0,0.0,6.992481333333331,7.258593333333334,7.121584666666672,6.918048000000003,6.718463999999999,0.0,0.0,0.0,0.0,1.2260419365659996,1.6719962066666672,1.281281690808168,0.7790786074244995,0.44461290484900023,0.0,0.0,0.0,0.0,165.54322004616603,144.34648383860002,154.03369982764156,169.02009986857453,184.917652024249,0.0,0.0,0.0,0.0,1.4166666666666667,1.75,1.5416666666666667,1.25,1.0,0.0,0.0,0.0,0.0,0.020906774199367244,2.168404344971009E-18,-0.010453387099683619,-0.013937849466244826,0.013937849466244824,0.0,0.0,0.0,0.0,403.55336333333304,7.815970093361102E-14,-201.77668166666652,-269.0355755555559,269.03557555555545,0.0,0.0,0.0,0.0,750.4247114640758,2.4158453015843406E-13,-375.21235573203757,-500.2831409760502,500.28314097604976,0.0,0.0,0.0,0.0,0.07905333333333325,1.1293049828609014E-15,-0.03952666666666548,-0.052702222222222886,0.052702222222220645,0.0,0.0,0.0,0.0,3.3547476161633347,-1.3322676295501878E-15,-1.6773738080816678,-2.2364984107755514,2.236498410775557,0.0,0.0,0.0,0.0,18.223042294829984,5.3734794391857577E-14,-9.111521147414935,-12.14869486322001,12.14869486321991,0.0,0.0,0.0,0.0,0.8333333333333333,-2.914335439641036E-16,-0.4166666666666672,-0.5555555555555552,0.5555555555555559,0.0,0.0,0.0,0.0,0.001393784946624483,1.4456028966473392E-19,-3.484462366561206E-4,-3.484462366561207E-4,6.968924733122412E-4,0.0,0.0,0.0,0.0,26.903557555555537,5.210646728907401E-15,-6.725889388888884,-6.7258893888888975,13.451778777777772,0.0,0.0,0.0,0.0,50.028314097605055,1.6105635343895604E-14,-12.507078524401253,-12.507078524401255,25.01415704880249,0.0,0.0,0.0,0.0,0.005270222222222217,7.528699885739343E-17,-0.001317555555555516,-0.0013175555555555722,0.002635111111111032,0.0,0.0,0.0,0.0,0.22364984107755564,-8.881784197001253E-17,-0.055912460269388925,-0.055912460269388786,0.11182492053877786,0.0,0.0,0.0,0.0,1.2148694863219989,3.582319626123838E-15,-0.30371737158049783,-0.3037173715805003,0.6074347431609955,0.0,0.0,0.0,0.0,0.05555555555555555,-1.9428902930940238E-17,-0.013888888888888905,-0.013888888888888881,0.027777777777777797,0.0,0.0,0.0,0.0,1.0371778660318802E-16,-0.24999999999999992,-0.24999999999999997,0.49999999999999983,0.0,0.0,0.0,0.0,1.9367872513319012E-16,-0.25,-0.2500000000000005,0.5000000000000001,0.0,0.0,0.0,0.0,3.219304035005771E-16,-0.24999999999999978,-0.24999999999999983,0.4999999999999992,0.0,0.0,0.0,0.0,1.428535566108411E-14,-0.24999999999999276,-0.25000000000000344,0.4999999999999855,0.0,0.0,0.0,0.0,-3.971290189256738E-16,-0.25000000000000006,-0.24999999999999944,0.5000000000000002,0.0,0.0,0.0,0.0,2.948727963338073E-15,-0.24999999999999845,-0.25000000000000044,0.4999999999999968,0.0,0.0,0.0,0.0,-3.497202527569243E-16,-0.25000000000000033,-0.24999999999999986,0.5000000000000003,0.0,0.0,0.0,0.0,1.4000000000000006,1.4,1.05,0.0,0.0,0.0,0.0,0.0,1.4000000000000015,1.400000000000002,1.0500000000000014,0.0,0.0,0.0,0.0,0.0,1.3999999999999997,1.399999999999999,1.0499999999999994,0.0,0.0,0.0,0.0,0.0,1.3999999999999997,1.3999999999999992,1.0499999999999996,0.0,0.0,0.0,0.0,0.0,1.3999999999999997,1.3999999999999997,1.0499999999999998,0.0,0.0,0.0,0.0,0.0,1.3999999999999997,1.4000000000000004,1.0500000000000003,0.0,0.0,0.0,0.0,0.0,1.4000000000000001,1.4000000000000001,1.05,0.0,0.0,0.0,0.0,0.0,12.000000000000002,6.000000000000002,8.618033988749897,12.000000000000004,2.4000000000000004,6.006204681249255,1.7763568394002505E-15,0.0,0.0,0.0,13.967595206243132,2.7935190412486266,1.3183700092986783,12.000000000000002,6.000000000000002,8.618033988749897,12.000000000000004,2.4000000000000004,6.006204681249255,1.7763568394002505E-15,0.0,0.0,0.0,13.967595206243132,2.7935190412486266,1.3183700092986783,12.000000000000002,6.000000000000002,8.618033988749897,12.000000000000004,2.4000000000000004,6.006204681249255,1.7763568394002505E-15,0.0,0.0,0.0,13.967595206243132,2.7935190412486266,1.3183700092986783,12.000000000000002,6.000000000000002,8.618033988749897,12.000000000000004,2.4000000000000004,6.006204681249255,1.7763568394002505E-15,0.0,0.0,0.0,13.967595206243132,2.7935190412486266,1.3183700092986783,12.000000000000002,6.000000000000002,8.618033988749897,12.000000000000004,2.4000000000000004,6.006204681249255,1.7763568394002505E-15,0.0,0.0,0.0,13.967595206243132,2.7935190412486266,1.3183700092986783,12.000000000000002,6.000000000000002,8.618033988749897,12.000000000000004,2.4000000000000004,6.006204681249255,1.7763568394002505E-15,0.0,0.0,0.0,13.967595206243132,2.7935190412486266,1.3183700092986783,12.000000000000002,6.000000000000002,8.618033988749897,12.000000000000004,2.4000000000000004,6.006204681249255,1.7763568394002505E-15,0.0,0.0,0.0,13.967595206243132,2.7935190412486266,1.3183700092986783,0,11.900000000000002,12.100061186288146,-0.1527974421089599,0.04726374417918451,6.091000000000002,6.291061186288147,5.0,15.0,15.0,15.0,5.0,0.0,0.0,0.0,0.0,0.0,10.932069999999998,3.5731868217953515,2.459820994687677,2.459820994687677,1.190060160272322,1.1900601602723209,0.0839230705186914,0.08392307051869118,0.08392307051869113,1.7241710785035256,1.7241710785035238,0.7578639354190906,0.75786393541909,0.48926375127666155,0.08392307051869081,0.08392307051869106,0.08392307051869113,3.6006484766559366,2.5108976211203284,2.5108976211203267,1.3088559198117948,1.3088559198117937,0.2709139018929378,0.2709139018929375,0.2709139018929373,1.655976006668749,1.6559760066687481,0.6219497304774956,0.6219497304774952,0.32973457476300205,0.2709139018929372,0.27091390189293724,0.2709139018929373,3.7203492897030648,2.7348014887900653,2.7348014887900627,1.778468089172858,1.7784680891728575,0.9439184268026225,0.9439184268026224,0.9439184268026224,1.4525836511201309,1.45258365112013,0.17284907323754756,0.17284907323754736,0.22356913709955828,0.9439184268026218,0.943918426802622,0.9439184268026224,3.6208204755294524,2.5485718485520428,2.548571848552042,1.3935289897419567,1.3935289897419556,0.39927724550898236,0.3992772455089821,0.3992772455089819,1.61228573298287,1.612285732982869,0.5312606142931667,0.5312606142931666,0.2215432300204716,0.39927724550898164,0.39927724550898186,0.3992772455089819,3.778078744950819,2.8418617348799304,2.841861734879929,1.978039144454595,1.9780391444545937,1.2076448229620882,1.2076448229620882,1.207644822962088,1.3884283102424042,1.3884283102423995,0.016182923167947384,0.016182923167947366,0.42956607801127156,1.2076448229620869,1.2076448229620875,1.207644822962088,3.666666666666667,2.6344210181857637,2.634421018185763,1.577575474938901,1.5775754749389004,0.6666666666666671,0.6666666666666667,0.6666666666666667,1.5289427970221325,1.528942797022129,0.3497203627692025,0.3497203627692016,0.0,0.6666666666666664,0.6666666666666666,0.6666666666666667,0,0,0,0,0,0,5,0,0,0.0,0.0,0.17677669529663687,0.0,0.0,0.0,0.0,0.17677669529663687,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.5355339059327373,2.5,1.7677669529663687,1.25,0.8838834764831843,0.0,0.0,0.0,0.7071067811865475,0.5,0.35355339059327373,0.25,0.17677669529663687,0.0,0.0,0.0,3.5355339059327373,2.5,1.7677669529663687,1.25,0.8838834764831843,0.0,0.0,0.0,0.7071067811865475,0.5,0.35355339059327373,0.25,0.17677669529663687,0.0,0.0,0.0,7.709139018929374,14.439184268026217,13.627450980392162,13.800000000000004,8.992772455089817,115.14127544910181,0.5139426012619582,0.9626122845350812,0.9084967320261441,0.9200000000000003,0.5995181636726544,7.676085029940121,1.9505000000000001,23.084999999999994,13.999999999999993,18.618033988749886,27.999999999999986,5.599999999999996,14.000001001560843,1.1102230246251565E-16,2.2204460492503132E-17,-18.36840028483855,19.225433765858742,3.8450867531717483,1.4781170388653044,20,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.5,1.5,0.2,1.5,0.2,1.5,3.6149999999999998,0.0,0.0,0.0,0.0,0.0,0.0,2.5,0.5,0.0,0.0,0.43333,0.7,0.43333,0.43333,0.7,-0.0,0.0,0.0,0.0,0.71429,0.0,0.0,0.0,0.0,0.0,2.5,0.5,2.5,0.5,0.0,0.0,-2.5,-0.5,0.0,0.0,3.75,0.75,3.75,0.0,0.0,2.5,0.5,2.5,0.0,0.0,-0.086,-0.0172,-0.0,-0.0,0.3333333333333333,5.0,0,0,0,0,0,0,1.0,0.9182958340544896,0.9182958340544896,0.9182958340544896,0.9182958340544896,0.9182958340544896,0.9182958340544896,13.774437510817343,13.774437510817343,13.774437510817343,13.774437510817343,13.774437510817343,13.774437510817343,0.23504518787566925,0.23504518787566925,0.23504518787566925,0.23504518787566925,0.23504518787566925,0.23504518787566925,2.988594761554029,2.988594761554029,2.988594761554029,2.988594761554029,2.988594761554029,2.988594761554029,0.23504518787566925,0.23504518787566925,0.23504518787566925,0.23504518787566925,0.23504518787566925,0.23504518787566925,6.732876570223358,6.732876570223358,6.732876570223358,6.732876570223358,6.732876570223358,6.732876570223358,19.74937501201927,19.74937501201927,19.74937501201927,19.74937501201927,19.74937501201927,19.74937501201927,3.2,1.44,0.64,0,0,0,2.01,0.7045000000000003,0.0,0.0,0.0,0.0,7.0710678118654755,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.071,0.064,0.277,0.248,2.625,5.0,5.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,25.0,1.791759469228055,1.791759469228055,1.791759469228055,1.791759469228055,0.0,0.0,0.0,0.0,0.0,0.0,3.258096538021482,1.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.000000000000002,8.618033988749897,12.000000000000004,2.4000000000000004,6.006204681249255,0.0,0.0,0.0,13.967595206243132,2.7935190412486266,1.3183700092986783,0.0,82.67992312933347,3.321928094887362,3.044522437723423,3.713572066704308,4.394449154672439,5.081404364984463,5.771441123130016,6.46302945692067,7.155396301896734,7.848153086199526,8.54110501146255,62.01307300369413,2.3978952727983707,0.0,3.4339872044851463,2.3978952727983707,4.61512051684126,4.2626798770413155,5.860786223465865,5.8888779583328805,7.147559271189454,7.698936199813447,70.07825032,4.671883354666666,9.6875,1.9375,0.0,0.0,0.0,15.0,0.0,2.8449999999999998,20.0,1.3804985071330498,2.484266496949655,3.279932063445277,4.048814736426247,0.0,0.0,0.0,0.0,0.0,0.0,101.0958851873616,89.89445501212526,22.717608498275325,4.113854896352198,0.0,0.0,0.0,0.0,0.0,0.0,355.54947885948627,407.30684274108836,248.16178259301765,125.85232251525773,0.0,0.0,0.0,0.0,0.0,0.0,10.095891153012875,17.763335941666238,22.73377477108457,27.201816049349226,0.0,0.0,0.0,0.0,0.0,0.0,2.606958364563362,3.3646022186778826,2.6274642138871407,1.8001552811579118,0.0,0.0,0.0,0.0,0.0,0.0,194.5749374793331,377.442553407229,550.9455778530601,748.6973145411201,0.0,0.0,0.0,0.0,0.0,0.0,2.5496216410493617,3.9334728611629663,4.153836384911125,4.048814736426247,0.0,0.0,0.0,0.0,0.0,0.0,0.5372354102623406,0.708711424955437,0.5763635125641975,0.41459862901004774,0.0,0.0,0.0,0.0,0.0,0.0,251.4392006257736,66.37673319481212,6.63767331948121,48.99699897370285,-12.934581084134207,-2.586916216826841,202.44220165207074,79.31131427894633,9.22458953630805,0.8369137972087826,0.22093453879160233,0.022093453879160226,0.16308620279121727,-0.0430526717531969,-0.008610534350639378,75.54143786633773,19.94197346287777,1.9941973462877762,14.720472163438734,-3.886016384328557,-0.7772032768657113,0.09999999999999996,0.2,2.4887304302656625,1.0189363072836792,300.4361995994765,0.0,1.0,0.0,216.17899323875935,14.703026669320822,6.0016568872153355,313.0493540566358,17.693200786082652,6.790018183848438,307.0246732429342,17.52211954196564,6.746177429573921,1.3320337156607014,1.3283934672568587,185.64621962056188,125.28292214620052,90.98938608812477,1.4818158488027573,2.040306321451167,1.3768960043851914,3.393045837069177,3.649051611898809,5.316433721093496,0.4569357429085672,2.7890055343544233,1.5958839026775302,1.4931272317183548,7.635143179535447,8.37424020811782,9.286193547847002,3.940990778109012,2.4896836788490075,0.6392076971221896,0.034401404905588094,5.093683216584535E-21,1.4546670112411875E-61,8.01255738497449E-124,8.512450913033416E-208,1.74427113153E-313,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.23406190813704433,1.5956733759108406,0.7103591818255923,2.273149055709667,0.36827530720356255,1.2298883379935537,0.09883274440632482,0.0587919179346527,0.004501992075831351,2.4229190759074093E-4,3.587522738086589E-23,1.0245338701434753E-63,5.643309681141523E-126,5.995388780347115E-210,1.22850442E-315,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.75558037171327,1.5956878374533552,0.8457192319576047,3.1059052527705227,1.1446906336804137,2.0804082805294937,0.4718544778659635,0.28872557976769864,0.04691422848429727,0.0025248684851381935,3.738475292543223E-22,1.0676432846660952E-62,5.880763789212909E-125,6.24765735602637E-209,1.2801963237E-314,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6325937163316575,1.5958609279700582,1.4365678881512303,7.214290404578959,7.580669174673212,8.512121332920193,3.560291888055908,2.2466711373007873,0.5695225501329534,0.030651032423724987,4.538380041634737E-21,1.2960821178565916E-61,7.139044375595153E-124,7.584440509241296E-208,1.5541141751E-313,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1135864474666017,1.5957062304912495,0.9458903466700938,3.755282631168042,1.9323659126490216,2.9000018784059813,0.8500292482051305,0.5256268775503863,0.1019039732580363,0.005484351739381176,8.120467895249912E-22,2.3190638798664608E-62,1.2773804776803813E-124,1.3570746630672701E-208,2.7807574837E-314,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.3681280947756416,1.5959804200389534,1.7123497824036849,9.298506628356952,11.65702305588107,12.471142453332298,5.515734396562286,3.4964011894237266,0.9322243525079491,0.050171215956658376,7.428658259028162E-21,2.1214951240015574E-61,1.1685561913239565E-123,1.2414609643133476E-207,2.54385551597E-313,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8593370229030934,1.5957666747785644,1.173507762182669,5.311140405749784,4.238942350203958,5.223522694014206,1.9569972728500529,1.225779398514331,0.2840923098320846,0.015289513291372486,2.2638592073709044E-21,6.465186716627499E-62,3.5611366155442177E-124,3.7833115169037405E-208,7.75231614E-314,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1684406244798984,1.6167494163437917,0.6797601378049565,0.48565841447886154,0.3620979745938298,0.43606058371201434,0.40795277925570306,0.458130377808132,4.464950178628647,6.0788464177723025,12.926916759016414,0.27163458360903714,1.3021437407758494,1.5699852778913839,1.0806473203326943,0.21845884117367498,0.5472064279069953,0.3766514045155464,0.2288524130747355,0.18214409967365924,0.04678315349748609,2.869091439397753,2.2756545093003036,5.515383302415579,0.38578674863381246,0.45777966624588085,1.8076415626998983,1.2935556320074268,0.4017175361984604,0.5160392705969401,0.3692797945078551,0.30321996152821457,0.26104721275205056,0.15897384008039384,3.5029147309057853,3.5840902204045637,8.026335009942237,0.3279785976571928,0.723241014360659,2.1536216298359796,1.603475673988801,0.668343908804572,0.4866456306525913,0.36233125624012175,0.4301309793686493,0.4012745631279298,0.4427640859461393,4.4254412126293525,5.96431299221548,12.69773278767647,0.27346533033906956,1.2741696284427184,1.9135883722411078,1.3884637507590272,0.4833837367264058,0.5055133525309143,0.36679098582305114,0.3397345215080036,0.30079268229652606,0.2306431311004868,3.785435859726541,4.253106382811916,9.32286773795721,0.30845650753094833,0.8711703349050164,2.2148358010234688,1.6583063775870721,0.7155000241363533,0.4826778169144685,0.3613936986837548,0.45488722911775925,0.4292180210689721,0.5079510581846006,4.588642202746894,6.44410965642476,13.660694964902522,0.26610727339733503,1.392056308371332,2.157539440029277,1.6069849594760623,0.6713621334485025,0.48638291895004326,0.36226917607966325,0.4316946895810359,0.403034763520515,0.44680085585504514,4.435886532953842,5.994492561874301,12.758081191077341,0.2729781425445598,1.281530308956596 +UMLCN0355,L,decanoic acid,CCCCCCCCCC(=O)O,Acids,,C10H20O2,BioCompoundML (2016),Unknown,PubChem,,48,1,-2.1697,4.707598090000001,38.04840000000001,32.53985999999997,0,0,32,12,20,0,10,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1974.8984919999978,1928.8667309999992,2241.4408189999976,1896.7847769999958,1685.9331839999961,1489.1764549999966,1292.4197259999974,1095.6629969999979,898.9062680000001,5289.625460040613,6679.12046156093,8682.424373189542,8708.564504032513,7681.920017313767,6675.121672358644,5668.323327403523,4661.524982448399,3654.72663749328,236.47787200000016,232.638588,423.88146800000004,576.39922,517.4800799999996,454.59517999999963,391.71027999999984,328.82538000000005,265.94048000000015,38.06766609698002,49.47088987600001,70.61142111333898,75.62507661486592,66.95800557916805,57.93647671977208,48.91494786037607,39.893419000980046,30.871890141583982,5337.199172989981,4542.34854488125,9052.998681283641,13307.290228578018,12012.98610089177,10534.030945853174,9055.075790814579,7576.120635775981,6097.165480737384,129.77777777777777,78.91666666666667,147.0,152.58333333333334,135.33333333333334,123.08333333333334,110.83333333333333,98.58333333333333,86.33333333333333,61.71557787499993,62.22150745161288,38.64553136206892,23.709809712499947,23.415738666666613,23.637721507936455,23.933698629629582,24.348066599999953,24.969618555555556,165.30079562626915,215.45549876003003,149.69697195154384,108.85705630040641,106.69333357380232,105.95431225966101,104.96895050747264,103.58944405440887,101.52018437481334,7.389933500000005,7.504470580645161,7.308301172413794,7.20499025,7.1872233333333275,7.215796507936502,7.253894074074071,7.307230666666668,7.387235555555559,1.1896145655306256,1.5958351572903229,1.2174382950575686,0.945313457685824,0.9299722997106673,0.9196266145995569,0.905832367784742,0.8865204222440011,0.8575525039328884,166.7874741559369,146.52737241552418,156.08618416006277,166.34112785722522,166.84702917905236,167.20684041036785,167.6865887187885,168.35823635057736,169.36570779826067,4.055555555555555,2.545698924731183,2.5344827586206895,1.9072916666666668,1.8796296296296298,1.953703703703704,2.052469135802469,2.1907407407407407,2.398148148148148,0.33524957734001837,-0.22197102931922885,0.11430004224329403,-0.06881670727426416,0.005717814510038388,3.030623811177066E-4,-4.893482505025949E-5,-4.147417899073528E-4,-0.0012805712198419115,1047.5152474999998,-61.37440864062613,-228.54987759375058,-61.10026012499958,19.12723312500043,14.619573359375181,10.11191359375016,5.604253828125124,1.0965940625000457,1532.8858307768633,-64.0838802848212,-690.6356045544646,-61.20873500732189,13.90331169865371,13.302629051490356,12.701946404327003,12.101263757163991,11.500581110000752,2.07332,-0.10552624999999825,0.9664844999999989,-0.15564900000000265,-0.05685000000000262,-0.09276025000000183,-0.12867050000000096,-0.16458075000000003,-0.2004909999999991,6.783892946367495,-0.1846526449566209,-3.2624588474520735,-0.19946720806837434,-0.05367842389387628,-0.05507338103214304,-0.056468338170409804,-0.057863295308676566,-0.05925825244694177,37.64305050992998,-0.8680644878144178,-17.537064359653193,-1.022228935277714,-0.5268853458344397,-0.5493284568394928,-0.571771567844546,-0.5942146788496044,-0.6166577898546629,55.76388888888896,-1.465711805555554,26.917534722222218,-4.569444444444457,-2.3020833333333415,-3.4309895833333433,-4.559895833333341,-5.688802083333341,-6.817708333333339,0.010476549291875574,-0.007160355784491253,0.0019706903835050695,-8.602088409283019E-4,7.941409041719983E-5,4.8105139859953435E-6,-9.062004638936943E-7,-9.216484220163396E-6,-3.557142277338643E-5,32.73485148437499,-1.9798196335685847,-3.9405151309267343,-0.7637532515624947,0.26565601562500596,0.23205671999008223,0.18725765914352147,0.12453897395833609,0.030460946180556822,47.90268221177698,-2.067221944671652,-11.90751042335284,-0.7651091875915237,0.19310155137019042,0.21115284208714852,0.2352212297097593,0.26891697238142204,0.3194605863889098,0.06479125,-0.003404072580645105,0.016663525862068946,-0.0019456125000000331,-7.895833333333698E-4,-0.0014723849206349498,-0.0023827870370370548,-0.0036573500000000006,-0.005569194444444419,0.21199665457398423,-0.005956536934084545,-0.05624929047331161,-0.0024933401008546793,-7.455336651927261E-4,-8.741806513038579E-4,-0.0010457099661187001,-0.0012858510068594793,-0.0016460625679706048,1.1763453284353118,-0.028002080252077993,-0.30236317861471024,-0.012777861690971426,-0.007317852025478329,-0.008719499314912584,-0.010588362367491591,-0.013204770641102322,-0.017129383051518413,1.74262152777778,-0.047281025985663035,0.46409542624521066,-0.05711805555555571,-0.03197337962962974,-0.054460152116402274,-0.08444251543209891,-0.12641782407407426,-0.1893807870370372,-0.6834650976198828,0.18810491208525254,-0.08210803165841854,0.007580176277964388,4.591696991036766E-4,-8.649799076461568E-5,-8.797251808198581E-4,-0.003395337699691978,-0.06048048314847534,-0.12037675297862958,-0.023331501959831698,0.008115387838304657,0.007088980382295231,0.0057204371076161244,0.0038044765230653655,9.30535646239191E-4,-0.043154617846501736,-0.24857711246125905,-0.015972157554956703,0.004031121900784002,0.004407954468053485,0.0049103978910794615,0.0056138186833159884,0.006668949871670646,-0.052539078666411054,0.25718790518887885,-0.030028939092856418,-0.012186573547097328,-0.02272505810020566,-0.036776370837683404,-0.05644820867015223,-0.08595596541885547,-0.028097315714978827,-0.26533102886150167,-0.011761223807352745,-0.0035167237270366646,-0.004123558709266233,-0.004932672018905658,-0.006065430652400852,-0.00776456860264344,-0.02380430267812965,-0.25703606866607065,-0.010862338959570315,-0.006220836559288248,-0.007412363618182274,-0.00900106636337431,-0.011225250206643264,-0.014561525971546689,-0.027132125497127645,0.26632026452527124,-0.03277708592777091,-0.018347862183478662,-0.03125185316966144,-0.04845717448457177,-0.07254462432544626,-0.10867579908675795,1.6358147864768493,0.4988187472931463,0.7212336581776252,0.6769077511983753,0.7625620810459404,0.8684602702255971,1.016752041343808,1.240632571633261,1.2204082690452687,1.120020919922631,0.9302770340521946,0.8879337921045403,0.9010415319962456,0.9185185185185194,0.9429862996497027,0.9796879713464774,1.444910434839324,1.4249549159667056,0.9720086963199973,0.9418232082438679,0.9318354840758604,0.9185185185185173,0.8998747667382364,0.8719091390678158,0.7783111145409293,0.32258699523735684,0.7519909492987091,0.7085888012141554,0.7985586800588823,0.9185185185185182,1.0864622923620086,1.338377953127244,1.521780378037639,1.4866372337571037,0.9654474313702525,0.9443891277715153,0.9333017238059454,0.9185185185185191,0.8978220311161222,0.8667773000125274,1.5273695155184943,1.4761463607783363,0.9576624984594541,0.9390077924169595,0.9302266750319131,0.9185185185185186,0.9021270993997652,0.8775399707216348,0.7128268991282681,0.3012539184952974,0.7597509339975085,0.7013283520132826,0.7971060902567743,0.9248097412480962,1.1035948526359471,1.3717725197177235,91.8296974455048,46.16484872275238,74.41129241579458,92.24636411217145,7.687197009347621,46.16484872275238,0.49999999999995737,0.10197649471998349,0.00849804122666529,-2.739615523411053,71.7206984117583,5.976724867646525,5.12733526406755,91.83537164434728,46.16695140127231,74.41379504248971,92.25081427617837,7.687567856348199,46.16695140127231,0.4985311581973306,0.10191626471896209,0.008493022059913508,-2.74032448437197,71.71556169768371,5.976296808140309,5.127249315690376,96.91821036494116,48.06011070441255,76.69174966036704,96.2532195681778,8.021101630681482,48.06011070441255,-0.7979889561160505,0.04774648801662801,0.003978874001385667,-3.650219716980332,68.73171439929808,5.727642866608174,5.076252874555092,91.84132696701975,46.16915828372882,74.41642175679421,92.25548496738466,7.687957080615388,46.16915828372882,0.4969896004378853,0.10185305039572107,0.008487754199643422,-2.7410690242481532,71.71017569625519,5.975847974687933,5.127159189582821,102.41647786991209,50.125944670616875,79.23817982940024,100.61265409601347,8.384387841334457,50.125944670616875,-2.164588528678337,0.011771884392948406,9.809903660790338E-4,-5.330449523003762,68.38361443848227,5.698634536540189,5.07015988912521,92.4246651389717,46.385466755364135,74.6741954003299,92.7132221154355,7.726101842952959,46.385466755364135,0.3462683717565582,0.09565950491882125,0.00797162540990177,-2.8163522594023465,71.20777708009977,5.933981423341648,5.118722449327203,94.85128095649331,47.56351201501074,77.74343945890155,95.56937619458857,7.96411468288238,47.56351201501074,1.4361904761905038,0.14244350178190784,0.011870291815158987,-2.3385718039384273,76.45824762608713,6.37152063550726,5.2040937710080675,0,11.996249475411343,15.998260524598201,-0.35137695966392246,0.27872209018540406,3.719288043687763,7.45582460021019,11.0,31.0,30.0,30.0,10.0,1.0,1.0,0.0,0.0,1.0,22.822139999999994,3.5515225961850323,3.4240980769098117,3.1824980655088386,2.850813641459221,2.464732129199342,2.070142293166662,1.7632299205290578,1.6664607343321047,1.9266351728864206,1.793937238786387,1.5906709774925891,1.345732257911481,1.097762969491506,0.8840782805095321,0.7262305244464473,0.6216888354558133,3.5497086603093,3.397601056015031,3.1509923776398683,2.8287343130618927,2.4627346383264794,2.0942798983496416,1.766050736041437,1.5107250132673464,1.8712025142448605,1.7442315498718228,1.5479565950755625,1.3073646169852546,1.0566339440353092,0.82947130175463,0.644959003642481,0.5052425448689964,3.6807911994704305,3.5542035244027064,3.3386817779207854,3.053059943967576,2.731734039209873,2.4174080144944043,2.1516400909598254,1.975326257517399,1.692395419257442,1.5424225119853452,1.3095276889172414,1.0200347054328622,0.7100237038647961,0.4191232321384757,0.17787579942699933,0.002628318420338725,3.566526137934609,3.407462659768713,3.1560450663327617,2.8349817478365287,2.477507942668369,2.124151551189689,1.8142148949803674,1.5736413914617562,1.8383503509605819,1.719462292305462,1.5283985915193732,1.285002761370122,1.0215124217606306,0.7742521596386172,0.5703476206444956,0.41920180052272626,3.733204588222661,3.6003391221842804,3.388219430641181,3.117571406810112,2.8212744985497737,2.538114814396419,2.300624505632473,2.123989571796581,1.6393952198787167,1.4905566172004239,1.255515429354459,0.9568135385644664,0.627875446093747,0.30861981642587677,0.03507801166098353,0.1727287024872667,5.22486502992221,4.19963581783419,3.569812811629961,3.3918133425112997,3.1003863005470085,2.734549638929778,2.3511348851131055,2.0079774660187355,1.784500777119919,1.6068449480012146,1.3440437590123762,1.0389333934028016,0.7361370155757587,0.47198852107368033,0.26898721976551676,0.13240261207170478,0,0,1,0,0,1,8,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.06454972243679027,0.0,0.0,0.0,0.2886751345948129,0.20412414523193154,0.14433756729740646,0.04564354645876384,0.03227486121839514,0.02282177322938192,9.234204518682008,5.770055610029663,4.303842328271808,2.3850278050148312,1.5096926389478171,0.9425139025074155,0.5780696241772716,0.34625695125370776,0.7695170432235007,0.5245505100026967,0.3912583934792553,0.26500308944609235,0.18871157986847714,0.13464484321534506,0.0963449373628786,0.06925139025074155,8.012316135456203,4.988391114761733,3.2650588867829957,1.9941955573808658,1.2333325063394602,0.7470977786904329,0.4398895578730932,0.24854888934521646,0.667693011288017,0.4534901013419757,0.29682353516209053,0.22157728415342953,0.15416656329243253,0.10672825409863328,0.0733149263121822,0.04970977786904329,16.847876246692447,31.539694100509827,29.9529411764706,30.399999999999988,18.946023952095814,246.5915928143713,0.526496132709139,0.9856154406409321,0.9360294117647062,0.9499999999999996,0.5920632485029942,7.705987275449103,3.2117000000000027,50.245800000000024,47.91092783364703,76.40574701202543,95.82185566729405,7.985154638941172,47.91092783364703,0.052690216481420526,0.004390851373451711,-3.531990583419509,68.92705853457316,5.743921544547764,5.0796585873139595,169,1.0,0.0,2.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7322455838013198,0.0,18.48872414362133,-0.6633720448055762,7.420935019295918,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7322455838013198,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.630514369238666,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1988370336273477,0.0,8.642477534223566,0.0,0.0,0.0,0.0,0.0,0.0,-0.6633720448055762,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.354234863711325,10.134489279910005,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7322455838013198,0.0,8.354234863711325,-0.6633720448055762,7.420935019295918,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7322455838013198,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22109504132231406,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1988370336273477,0.0,0.34104938271604945,0.0,0.0,0.0,0.0,0.0,0.0,-0.6633720448055762,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.354234863711325,10.134489279910005,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7322455838013198,0.0,10.134489279910005,0.0,7.420935019295918,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7322455838013198,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5125,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1988370336273477,0.0,1.318383487654321,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.354234863711325,10.134489279910005,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,28.666666666666664,2.388888888888889,0.7322455838013198,10.134489279910005,0.22109504132231406,-0.6633720448055762,5.209107228340359,2.330038711472243,3.1344892799100053,11.375122354497353,2.330038711472243,3.1344892799100053,11.375122354497353,5.66666,0.47222,0.0,0.02778,0.49792,0.82778,0.42632,0.49792,0.78718,0.0716,0.0,-0.0716,0.0406,0.57047,0.14382,0.0,0.20588,0.08824,0.0,7.5,0.625,6.0,0.5,1.5,0.125,-4.5,-0.375,0.0,0.0,11.55251,0.96271,14.40819,2.85569,0.23797,4.87183,0.40599,5.77005,0.89822,0.07485,0.14395,0.012,0.14395,0.012,0.0,11.02,2,2,2,2,1,1,0.9,1.198192411043098,1.8636841496927703,2.7603907223310395,3.328626767019874,3.5397170014624826,3.181849704144249,38.342157153379134,59.63789279016865,88.33250311459327,106.51605654463597,113.27094404679944,101.81919053261596,0.23963848220861958,0.37273682993855406,0.552078144466208,0.6657253534039749,0.7079434002924965,0.6363699408288498,3.801807588956902,3.1363158503072297,2.2396092776689605,1.6713732329801259,1.4602829985375174,1.8181502958557512,0.23963848220861958,0.37273682993855406,0.552078144466208,0.6657253534039749,0.7079434002924965,0.6363699408288498,10.71860944884017,16.986614062060376,20.652754770235035,21.94675255067928,21.438179302439124,18.315094304156734,43.93974703476992,34.09799439256032,28.662642454284843,25.636455560215268,26.706372917773436,32.746053993694915,12.0,9.090909090909092,11.11111111111111,12,3,10,2.34,1.5920000000000014,0.0,2.1252005594420327,0.1111111111111111,0.0,11.24058362962237,2.1252005594420327,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.591,0.41100000000000003,0.402,0.508,0.152,5.864999999999999,11.0,9.0,8.0,7.0,6.0,5.0,4.0,3.0,2.0,78.0,2.5649493574615367,2.6390573296152584,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,4.499809670330265,1.141025641025641,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.7272727272727273,10.0,0.9090909090909091,0,5.0,10.0,1.0,1.5,0.44444444444444464,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.0,0.13636363636363635,0.04040404040404042,0.027777777777777776,0.020000000000000004,0.015873015873015876,0.013605442176870748,0.0125,0.012345679012345677,0.013333333333333336,0.0,0.2922029249410202,47.91092783364703,76.40574701202543,95.82185566729405,7.985154638941172,47.91092783364703,0.052690216481420526,0.004390851373451711,-3.531990583419509,68.92705853457316,5.743921544547764,5.0796585873139595,37.3,196.460299659789,4.584962500721156,3.8066624897703196,4.442651256490317,5.1298987149230735,5.783825182329737,6.47543271670409,7.136483208590247,7.829232537543592,8.493924564476883,9.186969385652942,81.28508005648119,3.1354942159291497,0.0,4.204692619390966,0.0,5.3981627015177525,0.0,6.647688373563329,0.0,7.927685045615778,8.259199362666282,172.14632988,5.37957280875,22.66182843843521,1.8884857032029343,4.763097565475968,4.763097565475968,0.0,277.0,9.0,4.155999999999999,44.0,1.2373548387096773,2.1466105430963967,2.8620133524797327,3.571385261978992,4.915723655901428,5.9133300410406,7.234245867997761,8.312382346559932,9.59940440704671,10.666394555690719,88.26974680667742,91.65489115136289,80.6929335526413,107.23239198551887,136.0266345592911,166.44721358328547,197.91764743817632,232.51051903500255,271.31424057648337,323.630560972478,292.77479752561044,342.3530271954001,342.1036537251236,450.76437329402984,573.9762581802846,690.9673990265021,806.5944372250095,908.608928163893,991.5453959490734,1016.1987849838442,9.30713204683871,15.769486733726758,20.69385496547323,25.88472799081656,35.62787308509381,43.12314566999274,53.05661387954623,61.653659774077155,72.43802376411965,83.41974625338152,2.1182672047084505,2.7324764442632197,2.8736488969470586,3.760015016345666,4.837905296014208,5.790556913553345,6.75362133859716,7.514839590573034,8.048997458484912,7.809686177335497,178.8609311457521,331.9646553920837,472.66515324207523,581.4187703928021,812.776205658482,977.3059598947016,1207.403227397977,1394.70584861832,1632.326144632566,1851.531819345444,3.1943252688172037,5.682970373733897,5.610704562746865,7.093452570783913,9.903193269722529,12.568148953908873,16.244312253015064,20.46436227804818,26.95546417404145,40.622865813818436,0.45802380967741946,0.6042186366668688,0.6452707558466224,0.842565517022638,1.0973405346007739,1.327564764606321,1.5767641184675705,1.7993724092797407,2.018717992000781,2.1714886799614512,441.43588480587806,454.0609440501317,16.77539922242383,236.3478567284004,-243.10740165021986,-34.70455297745442,205.08802807747767,697.1683457003516,51.47995219987825,0.6512931157165455,0.6699200884079745,0.02475037123854559,0.34870688428345425,-0.35867989559605684,-0.051202988284869105,299.1980656512228,307.755125542885,11.370092850705651,160.19273463698283,-164.7742442851627,-23.52218176533365,0.2516537489019194,0.3223036771694406,1.883572706963315,13.189997103030175,565.9653123769066,111.81842915737198,0.8350234413940765,0.16497655860592342,798.7125374587097,28.26150274593886,9.278195100277644,999.7013108211052,31.61805355838821,9.999004270259201,1345.4032235054303,36.679738596470806,11.039536031623856,3.393570436974685,3.393570436974685,2884.593142243296,2814.2101656738146,100.38768975262474,1.0250098508732481,28.734530591863486,28.033418964103955,5.839261706192281,6.901696073057126,12.86241092145062,0.8636594230312402,6.236930991758937,8.652814203862244,3.280347816157847,37.233632601738066,15.347592332587304,0.44957192618307584,7.280172599136181,7.148268891036478,25.376324424557737,0.7172858172287568,2.655250576209542,19.419922632839228,5.344692534676189,18.72635245934807,1.3534632430517763,2.578836052138757,5.679789194433394,5.3109327489761995,5.804173470100341,1.9167318816842598,4.5131134926439245,0.2127175241142963,2.051994203451556,0.5665927341774699,0.30121641352515605,4.426882208649833E-18,1.2548565016649406E-56,6.86066271284021E-117,7.234590893531777E-199,1.4714238485682862E-302,0.5656935256673771,8.676548599378744,0.23634076655258054,8.68508583543668,0.26907726397246323,0.3796939440902303,0.9845782608130733,0.29153482711604223,7.751984783877121,0.023586979369382317,0.9372990962281094,2.1890242900672985,0.173049007047709,4.995185488164434,0.05719360898428309,1.215469119554637,0.42715728300459255,0.14315712684463552,2.026367627252056,0.09154362903860795,1.4655580422154157,0.005887418870701374,0.20685841513041778,0.005362592767419707,0.033672306286945924,4.948721377773355E-19,1.4027785025979182E-57,7.6693949900871315E-118,8.087401680647943E-200,1.6448747249130617E-303,1.6241034284024511,8.631714848715134,0.7878222152985495,10.473195548400069,1.3145193264813462,0.23142241854846343,2.03994434327464,1.076602083263651,9.435534292291317,0.10026491745514829,0.7899929976197471,4.657972205925891,0.7371929074427157,6.82098542364191,0.2217870167430211,0.8791259596888568,1.0222692226243308,0.656395135937446,2.5642794975053267,0.34118722468332535,1.2398044468756284,0.01781434094889231,0.4734845327420257,0.04224915589365649,0.05833018981098478,8.572613767786487E-19,2.4300172482001018E-57,1.3285605727957953E-117,1.4009713964607316E-199,2.849397781092764E-303,6.180852387545005,8.676803827835332,3.0694448707485646,35.00875139931008,14.22899063378297,0.528212267521004,7.131983774877609,6.665497758678885,25.10350448694655,0.6518512486862313,2.6966037054321204,18.360114754230942,4.855585364973191,18.26778801293463,1.238728845707469,2.746252118610211,5.7505823981164745,4.803910522437277,5.8379428589120055,1.7615114712928588,4.683586621895418,0.19101857907501738,2.2775134253167604,0.5052805242373992,0.3783387785701105,5.560328379958828E-18,1.5761463463721759E-56,8.61724703516913E-117,9.08691471033409E-199,1.848162973064018E-302,2.299455688074024,8.614701513776952,1.187161930780675,12.731230949366378,2.5029203017374906,0.18513345181170215,2.7595460556956333,1.7589220030243198,10.938446086297061,0.1721782427223038,0.852884784270302,6.681980283862685,1.2701913801753537,8.27896776376214,0.36446815043946396,0.8427574746688479,1.4387161722774138,1.1695759966979022,2.9654025133248005,0.5490561023931688,1.3181972697437094,0.03506837501940922,0.5940313571789185,0.09065976387643787,0.0577578403599415,8.488489666100984E-19,2.4061711933535301E-57,1.3155232462873736E-117,1.3872234937315533E-199,2.821436294063005E-303,7.765817127199865,8.66821503452164,4.089697853030565,50.528271975270876,22.37867441318911,0.5611536180454194,9.143165367439021,9.793643198583544,32.23802715922552,0.985637674563326,3.4801014534381745,24.64913189990374,7.357765516293364,23.192981817737873,1.818441794451062,3.393139364668676,7.787790990092516,7.408080668640565,6.890230258531544,2.5408156641173294,6.067861682522718,0.30933391663659693,2.752928299904059,0.8260644774475077,0.43992923051614796,6.465500556239107E-18,1.8327290013866043E-56,1.0020058473515615E-116,1.0566183883297446E-198,2.1490275238841936E-302,5.731997071987073,8.552356755951376,1.9591934135930944,26.16805070124648,9.962230700475372,1.1105020706940254,6.268825663614642,4.517997980211355,25.70841820247217,0.34135277771147515,3.3557578754675568,14.011649596778202,2.541775062838867,17.29288366974661,0.6777231177721212,4.183479142204218,6.814234844612917,2.443666620385248,7.0561939990022715,0.9877191327422676,6.301173447904634,0.10425816338299443,3.514604452376082,0.23549103094564788,0.7363358742002049,1.0821712959125895E-17,3.0675532408287375E-56,1.6771199026408848E-116,1.768528330695862E-198,3.596961875178246E-302,14.873210788832298,0.8559809438052253,0.4651835671875001,0.9184183096579835,0.05285668190081244,0.5490843192969526,0.6211843915231241,0.5624913436401728,16.194375299825023,20.048146527603187,42.16485988417776,0.8776274644869753,1.7327600544602495,17.33617595839134,0.509285396008262,0.08710242844405224,0.9667427462311392,0.02840003259854582,0.7490921079768161,0.20938155431205857,0.01972094132082526,17.932563782843655,10.383444258910936,29.085040716486393,0.9501141193467088,0.9781946036097,15.097845395940052,0.5985837233985132,0.2393649021404357,0.9474172027820188,0.03756221513604621,0.5662487219152647,0.3072843309340022,0.14893201144204518,15.935794021479,12.794498732501657,30.8935110515019,0.9211258041730281,1.022465064291312,15.371228967770781,0.8593618094458453,0.44550371555514523,0.9217523308250273,0.05153255816692178,0.5865242718968665,0.6318414725363299,0.5159050450601327,16.67609449277177,20.440235636054968,43.0011879097473,0.882628496237541,1.734270789493329,14.377512761950097,0.6517435552731348,0.31371177628791497,0.9370750609871006,0.042478323053332184,0.5131578918451075,0.3638344787903517,0.2558166206299858,15.342968093511148,14.08530597902069,32.36789498928489,0.905612591480651,1.132808991265445,14.997645308088485,0.8934360493500462,0.491551234546191,0.9154600290203757,0.054535560407254935,0.5583102669580812,0.675591321406363,0.6280651504902544,16.38263259198472,21.210717633134706,44.1798600117222,0.8731900435305635,1.8619667388546985,15.458474247006297,0.8667272289965462,0.44578151650400427,0.9217393073448962,0.051680168621230704,0.5932332295451609,0.6437932368952475,0.5165486473037498,16.77098299250685,20.675753619828193,43.419442433845965,0.8826089610173442,1.7535751137441582 +UMLCN0356,L,decyl acetate,CCCCCCCCCCOC(=O)C,Esters,,C12H24O2,BioCompoundML (2016),Unknown,PubChem,,62,0,-2.3223000000000003,5.393077290000001,45.619800000000005,38.727031999999966,0,0,38,14,24,0,12,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2267.4909899999975,2309.703289,2662.6155209999984,2274.0795149999963,2073.350257999996,1882.6899129999956,1685.9331839999963,1489.1764549999968,1292.4197259999974,6260.994241262993,7897.036316613206,10155.979481471428,10270.184026242863,9509.014240638466,8688.718362268904,7681.920017313767,6675.121672358643,5668.323327403522,278.43276000000014,276.32998000000003,515.7425880000001,668.1205080000008,602.9390960000004,580.3649800000001,517.4800799999997,454.59517999999974,391.71027999999984,45.42391771637605,58.63208344000002,82.04182594473495,87.92626512226188,82.33338586886586,75.97953443856392,66.95800557916805,57.93647671977208,48.91494786037607,6330.458493266977,5402.9146912546,11055.665718129538,15315.470022082165,13861.39049882347,13491.941255930367,12012.98610089177,10534.030945853174,9055.075790814577,116.27777777777777,86.08333333333333,155.5,168.08333333333334,146.83333333333334,140.58333333333334,128.33333333333334,116.08333333333334,103.83333333333333,59.67081552631572,62.424413216216216,38.037364585714265,24.718255597826047,24.682741166666617,23.24308534567896,23.415738666666616,23.637721507936458,23.933698629629582,164.7630063490261,213.43341396251907,145.08542116387753,111.6324350678572,113.20255048379126,107.26812792924574,106.69333357380232,105.954312259661,104.96895050747263,7.327177894736846,7.4683778378378385,7.367751257142858,7.262179434782617,7.177846380952386,7.164999753086421,7.187223333333329,7.215796507936504,7.253894074074071,1.1953662556941067,1.5846509037837841,1.172026084924785,0.955720273068064,0.9801593555817364,0.9380189436859743,0.9299722997106673,0.9196266145995569,0.905832367784742,166.5910129807099,146.02472138525945,157.93808168756482,166.47250024002352,165.01655355742227,166.56717599914035,166.84702917905236,167.20684041036785,167.68658871878847,3.059941520467836,2.3265765765765765,2.2214285714285715,1.8269927536231885,1.748015873015873,1.73559670781893,1.7824074074074074,1.8425925925925928,1.9228395061728394,0.2889570410720956,-0.1594431037461692,0.06947206066960693,-0.051479071265156634,-0.013410248399108215,0.006910025899666623,6.04917875846785E-4,-9.730057542776114E-5,-4.4082679628146444E-4,1211.467208842106,-18.54248545152494,-227.4288631828257,-127.44859730193832,-91.36589796675815,14.508859889197577,11.312292299169638,8.115724709141812,4.9191571191139865,1833.392940708266,-153.1843582727421,-683.016186664341,22.516977818012275,-151.50483848555484,11.495067527850871,11.06909867002853,10.64312981220619,10.217160954383736,2.1251014736842073,0.04247445983379631,0.8377657063711921,-0.4496983047091411,-0.10069546814404562,-0.060606404432134386,-0.08607184487534725,-0.11153728531856,-0.13700272576177286,8.126575126664852,-1.0510555772029004,-3.3013208871410584,0.6714209332273272,-0.6742469288411246,-0.0456974941203248,-0.046686715802862586,-0.04767593748539993,-0.04866515916793772,44.944867069128016,-6.336924671096553,-17.940770856989378,4.452332141056069,-3.697659580086029,-0.4516505909759363,-0.4675659273119297,-0.48348126364791955,-0.4993965999839094,40.48538011695902,0.2934749153585699,15.250615574022767,-5.726300400123126,-1.9764542936288125,-1.4995383194829206,-2.042474607571563,-2.5854108956602064,-3.1283471837488497,0.007604132659791989,-0.00430927307422079,9.924580095658133E-4,-5.595551224473548E-4,-1.596458142750978E-4,8.530896172427929E-5,8.401637164538681E-6,-1.5444535782184307E-6,-8.163459190397489E-6,31.880716022160684,-0.50114825544662,-3.248983759754653,-1.38531084023846,-1.0876892615090257,0.17912172702713058,0.15711517082180051,0.1288210271292351,0.09109550220581457,48.247182650217525,-4.140117791155191,-9.757374095204872,0.24474975889143777,-1.8036290295899386,0.14191441392408483,0.15373748152817404,0.16893856844771732,0.18920668434043955,0.05592372299168966,0.0011479583738863868,0.011968081519588458,-0.004888025051186316,-0.0011987555731434003,-7.482272152115356E-4,-0.0011954422899353783,-0.0017704331002946032,-0.002537087514106905,0.21385724017539084,-0.028406907491970283,-0.047161726959157976,0.007298053622036165,-0.00802674915287053,-5.641665940780839E-4,-6.484266083730915E-4,-7.567609124666656E-4,-9.012066512581059E-4,1.1827596597138952,-0.1712682343539609,-0.25629672652841967,0.0483949145766964,-0.04401975690578606,-0.00557593322192514,-0.00649397121266569,-0.007674305772189199,-0.009248085184887211,1.0654047399199742,0.007931754469150537,0.2178659367717538,-0.062242395653512236,-0.023529217781295388,-0.0185128187590484,-0.028367702882938377,-0.04103826818508264,-0.057932355254608325,-0.5667014591955672,0.13051560959918365,-0.07358566025630876,-0.020994611932436343,0.01121876294654398,0.0011048777737615782,-2.031071323077995E-4,-0.001073555598728968,-0.01571947929583092,-0.10191062702281353,-0.04345293999280045,-0.034117466519665345,0.005618497617889787,0.004928219639502068,0.004040719381575056,0.0028573857043390416,-0.08581056061180238,-0.20223717861297505,0.00507283006897677,-0.037383095354310954,0.0029414031271615608,0.00318645510646166,0.003501521936990359,0.003921611044361914,0.020527216581359843,0.2140072384194974,-0.08740521534863985,-0.02143554665202703,-0.013379424244031877,-0.021376300181463644,-0.03165799781530446,-0.04536692799375892,-0.13283117031096497,-0.22052901702312816,0.03412581971062008,-0.03753321209180268,-0.0026380523456460657,-0.0030320535692001686,-0.003538626570912553,-0.004214057239862437,-0.1448039193316671,-0.21669383498454522,0.040916947225273934,-0.03721783757524691,-0.004714341731331905,-0.005490524773424007,-0.0064884743989709484,-0.007819073899700203,0.0074448274650498695,0.20449124037886146,-0.058421361686627614,-0.022084769195848272,-0.017376324757517932,-0.026626221772834576,-0.03851894650681313,-0.05437591281878453,1.6042786205736486,0.903903398558883,0.998137561260608,0.7431149349637776,0.7285712999528272,0.8000213781681721,0.8897740199016525,1.0087290765731365,1.2188925240587811,1.164898455690625,1.007032103073625,0.9615302734709579,0.9058453468166843,0.9163667112880886,0.92989417989418,0.9479308047023016,1.5016977059212062,1.3370505751427035,0.9449977079611616,1.0219444069118995,0.9476131427758537,0.9398610965151216,0.9298941798941804,0.9166049577329253,0.7158660510279542,0.7061028869896061,1.0883479777060467,0.7269147559196381,0.7436420260404635,0.8251273433514648,0.9298941798941811,1.0695832952844695,1.625189850869963,1.3838994463636254,0.9125214120602119,1.0247215665554923,0.9495331543813001,0.9409411030431847,0.9298941798941788,0.9151649490288376,1.6451584947711915,1.3839347018517505,0.9058357285539171,1.0188871379992037,0.9454994753794217,0.9386721586046277,0.9298941798941788,0.9181902082802467,0.5763397371081908,0.44625652586616094,0.917221423233206,0.7162589504962761,0.7371456390667723,0.8229422456545822,0.9332521684103378,1.080332065418012,123.22482088789744,61.86241044394873,99.58655959683784,123.65339231646888,8.832385165462064,61.86241044394873,0.5000000000000213,0.13303548133778093,0.009502534381270066,-2.823995173108532,108.25266461154592,7.732333186538995,6.558255174700321,123.24342458965845,61.8709778739279,99.59873798542431,123.67073701097047,8.833624072212178,61.8709778739279,0.49853115819734484,0.13284304720232482,0.009488789085880344,-2.8260217213834893,108.14441969155945,7.724601406539961,6.556854574492527,139.90659410079715,69.55430257234048,110.97773014705723,139.22260356698328,9.944471683355946,69.55430257234048,-0.7979889561161997,0.03213270718775313,0.0022951933705537947,-4.8130331929146655,97.06869593010916,6.933478280722083,6.405586506632983,123.26295005537904,61.879969827908425,99.61152105823807,123.6889411414686,8.834924367247757,61.879969827908425,0.49698960043780716,0.13264109391769602,0.009474363851264002,-2.828151676504902,108.03157947162747,7.716541390830534,6.555393021657207,157.86310762620872,77.84925954876516,124.2110554245532,156.00774603019866,11.143410430728476,77.84925954876516,-2.164588528678408,0.18637212719235663,0.013312294799454045,-2.352013888198172,106.15892383882696,7.582780274201926,6.530912153934072,125.17575805352558,62.76101321264105,100.87015326797567,125.47255951503118,8.962325679645085,62.76101321264105,0.3462683717565156,0.11293578735994886,0.008066841954282061,-3.0533102253342648,99.83954855528192,7.13139632537728,6.444990136100633,127.63008259855337,63.98827136238288,104.84463452080092,128.36042407880907,9.168601719914932,63.98827136238288,1.1765873015872543,0.22941736397255408,0.01638695456946815,-2.0610973378220567,109.4445921905727,7.817470870755193,6.573585779319416,0,11.89,15.995920670931373,-0.3158807979800074,0.30162196544969083,3.7211308937541316,7.499690604753041,13.0,37.0,36.0,36.0,12.0,1.0,1.0,0.0,0.0,1.0,29.11096799999999,3.542387181468603,3.45416889554767,3.2926441084443807,3.0464510119236294,2.7317521409232484,2.382776039235536,2.117998781471026,1.9650415441169906,1.9303530818599528,1.8093457688732768,1.636088333588285,1.5421440278905663,1.3719908826522602,1.1395076553275132,0.9268728259369418,0.7567980404565602,3.546876031025345,3.4001868181552783,3.2439711302384757,3.0630364716312517,2.7585189324113375,2.4089599468015757,2.0935850688060684,1.9414236810503414,1.8739822046000594,1.7595523983729904,1.6191111078380305,1.494693872872496,1.2875018705337726,1.0472141222900881,0.8274917691227421,0.6681872514545079,3.678546726528969,3.5716389569479574,3.437528793030958,3.240657399319132,2.9720593691447412,2.676410482569628,2.4322847839924133,2.298063535800076,1.6938468211968307,1.5519650511926306,1.3736620498992362,1.2472216956520747,0.9989483846586762,0.7015657162238899,0.4252203792947,0.23882585088447672,3.565735596945176,3.4109145395246103,3.2294496227534553,3.0807168974819663,2.7883591896673674,2.4434502462597387,2.1214933529519944,1.9482153952865646,1.8401424749751232,1.7380458878770413,1.6126181474830572,1.4550543202542139,1.233007102302694,0.9871973525010791,0.7715344106324621,0.6411527446271679,3.7335571402780436,3.6132893390688503,3.4756798700991527,3.3128892121063673,3.064250353818409,2.7852158102241398,2.538662010179687,2.398996743972839,1.6391907384800113,1.4976134361744307,1.3355094731891322,1.182448906843809,0.9102666519904866,0.5955762295074258,0.3083246343568378,0.14918739599621833,5.072344340356899,3.5812846056624332,3.4796685256424085,3.288700668922833,3.0319045743563864,2.8583324264963625,2.6360695997271675,2.31048925892993,1.808245993337145,1.649782414512056,1.4148997785299249,1.173492519326712,1.0921008438845659,0.8376510785132395,0.5829989682443305,0.37460644992745856,0,0,1,0,0,3,8,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.08333333333333333,0.0,0.0,0.0,0.2886751345948129,0.20412414523193154,0.14433756729740646,0.05892556509887897,0.041666666666666664,0.029462782549439483,10.648418081055103,6.770055610029663,5.010949109458356,2.8850278050148317,1.863246029541091,1.1925139025074154,0.7548463194739086,0.47125695125370776,0.760601291503936,0.5207735084638203,0.38545762380448895,0.26227525500134835,0.1863246029541091,0.13250154472304615,0.09435578993423857,0.06732242160767253,9.680457611606656,5.904030206245224,3.814917070479451,2.3032161629029315,1.4518430720304858,0.9016080814514658,0.549144840718606,0.3258040407257328,0.6914612579719039,0.45415616971117106,0.2934551592676501,0.20938328753663013,0.1451843072030486,0.10017867571682953,0.06864310508982575,0.0465434343893904,19.93153185426418,37.315367807720335,35.40392156862745,35.919999999999995,22.543132934131755,292.648102994012,0.5245139961648468,0.9819833633610614,0.9316821465428277,0.9452631578947367,0.5932403403718883,7.701265868263474,3.6902000000000026,59.24300000000005,65.85863230616327,104.9872357358382,131.71726461232655,9.408376043737611,65.85863230616327,0.04449446453565087,0.0031781760382607765,-4.357346686006454,90.71068684096275,6.4793347743544825,6.310745247003528,239,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,9.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.276667244457267,-0.15930944915207146,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.899004712423065,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.698260062132648,0.0,10.851048809228823,0.0,0.0,0.0,0.0,0.0,0.0,-0.15930944915207146,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.428623976798198,4.848043267659069,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.848043267659069,-0.15930944915207146,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2173970236251705,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4630438747660066,0.0,0.6014814814814815,0.0,0.0,0.0,0.0,0.0,0.0,-0.15930944915207146,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.428623976798198,4.848043267659069,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.428623976798198,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.235216187366641,0.0,1.3754423868312757,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.428623976798198,4.848043267659069,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,29.666666666666668,2.119047619047619,0.5711049744919521,10.428623976798198,0.17113447269020865,-0.15930944915207146,6.8503165052200385,1.8259761158187382,3.428623976798198,10.023766863647817,1.8259761158187382,3.428623976798198,10.023766863647817,6.66666,0.47619,0.0,0.02381,0.48772,0.80952,0.42727,0.48772,0.80952,0.06045,0.0,-0.06045,0.0,0.58823,0.12606,0.0,0.2,0.075,0.0,8.75,0.625,7.25,0.51786,1.5,0.10714,-5.75,-0.41071,0.0,0.0,14.35953,1.02568,17.64206,3.28253,0.23447,5.65409,0.40386,6.77005,1.11596,0.07971,0.14395,0.01028,0.14395,0.01028,0.0,13.02,2,2,2,2,0,0,0.9166666666666666,1.1674367232867007,1.720582776146013,2.8526761974263786,3.4445242236283016,3.7974165797919084,3.8264535021013883,44.36259548489463,65.38214549354849,108.40169550220239,130.89192049787545,144.3018300320925,145.40523307985276,0.22245671654116503,0.32785947819180167,0.5435814786158335,0.6563589559506079,0.7236030928521952,0.729136119410793,4.080490790156885,3.527344737297572,2.3952513160172066,1.8034032898152836,1.4505109336516768,1.4214740113421969,0.22245671654116503,0.32785947819180167,0.5435814786158335,0.6563589559506079,0.7236030928521952,0.729136119410793,10.299818506707174,17.14782980522945,20.744730279814252,22.935009822125465,24.229370002980787,22.85431061125108,51.436928914486664,38.28918718495263,32.90755782030124,27.447868277227716,24.26529048534946,27.17789055630383,14.0,11.076923076923077,13.090909090909092,14,3,10,2.56,1.8738000000000015,0.08333333333333334,3.4740354110475327,0.6030226891555274,0.0,13.18512473533854,1.680273392255895,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,6.352,13.0,11.0,10.0,9.0,8.0,7.0,6.0,5.0,4.0,100.0,2.70805020110221,2.772588722239781,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,4.718498871295094,1.11,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.7692307692307693,12.0,0.9230769230769231,1,6.0,12.0,1.0,1.5,0.44444444444444464,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.11538461538461539,0.034188034188034205,0.022727272727272728,0.016000000000000004,0.012345679012345682,0.01020408163265306,0.008928571428571428,0.008230452674897118,0.008000000000000002,0.008264462809917356,0.25353242911756624,65.85863230616327,104.9872357358382,131.71726461232655,9.408376043737611,65.85863230616327,0.04449446453565087,0.0031781760382607765,-4.357346686006454,90.71068684096275,6.4793347743544825,6.310745247003528,26.3,231.05226891152236,4.807354922057604,3.970291913552122,4.61512051684126,5.303304908059076,5.963579343618446,6.655440350367647,7.321849713788356,8.014666370464942,8.684231891345675,9.377294451639015,86.90577945967654,3.295836866004329,0.0,4.3694478524670215,0.0,5.564520407322694,0.0,6.814542897259958,0.0,8.094683648698815,8.426173793029069,200.177630008,5.267832368631579,26.661621902055405,1.904401564432529,5.261034042356889,5.261034042356889,0.0,444.0,11.0,5.004999999999999,52.0,1.2398918918918915,2.135184975489468,2.867591088060659,3.6356643873244443,4.906256904187018,5.923182723150773,7.236177446691527,8.335761016153944,9.625403612558852,10.752483886930296,88.57272509091885,89.64663120020388,83.85483708985201,112.49710700936336,133.42401474397397,162.51374778394796,192.25798227887233,223.26402238071654,255.6605135552839,291.17366509275865,289.30415534330916,330.4456337698289,351.68868212566167,479.82629635305466,579.3452500958572,701.6401278273543,824.7981089950716,941.6024467179478,1053.070602972048,1149.5643424205887,9.310174364108109,15.80824365192054,20.8808377272181,26.280810446391083,35.29315307653229,42.77832792247622,52.38189571585588,60.67761704159494,70.52055456416646,79.65407059736677,2.0937462791545935,2.6205146319122936,2.9180666382776623,3.9964735883299403,4.922450127447549,5.9451627866561205,7.0070123557552515,7.9618518241502265,8.867823035511814,9.56537337051749,179.05167236094175,333.9575072753892,473.69607937038063,585.9048083837193,808.0690773375321,974.0882076234585,1199.2844599092143,1384.3106096908823,1609.9087808786694,1809.2855584722524,2.9642927927927922,4.9229267341634815,5.337165840182372,6.586911388232,8.706433421393818,10.827314575694425,13.554530255646926,16.29921414191456,19.830359809023506,24.320297713078812,0.4558086486486486,0.5884947278378894,0.6569839868282235,0.8846648657262998,1.100107996609061,1.3367066226892133,1.5914309972828329,1.828925527049189,2.072747367497508,2.2937396937360304,579.3825310016127,607.9957757767849,18.460987983997093,203.14653199879007,-213.17907722458415,-23.129024055581482,376.23599900282267,821.174853001369,41.590012039578575,0.7403974604855211,0.7769625494107326,0.02359144069769532,0.25960253951447865,-0.2724232073978246,-0.029556760444013785,453.3836691034939,475.7743647268105,14.446259629178943,158.96806533679455,-166.81882355184436,-18.099133522327957,0.246160865050712,0.3009599118252962,2.229531047400254,3.4969666108253934,722.6940357019748,59.83502729842813,0.9235363513924884,0.07646364860751162,958.4740055061646,30.959231345531894,9.859618544690194,1190.9628714690682,34.51032992408314,10.599842383645031,1639.1661812601305,40.48661731066366,11.790738162848355,3.508168861711761,3.508168861711761,4553.562974750139,4478.567545969563,111.70022354830326,1.0167454053133724,40.76592535001519,40.094526256994165,6.426919790937539,8.108225633110866,15.896097509319064,0.9604902759989231,6.706839340034847,9.984132226910798,5.136208540429775,43.78994336223278,17.186610082611548,1.4669403433966053,9.546297466686223,7.687643417160581,25.942948115119467,1.8813712485225633,3.4465247863264903,23.660929624891594,4.297104510526095,21.043579187724458,3.216594380157074,5.548490593107673,9.603045168055083,2.820436006691101,9.692184383546172,2.979785146656469,6.205740736945051,3.4259314474775437,4.171660278565945,0.048221639961379896,1.8499461343516228,4.461031067372959,5.579162747562162,0.468874018221107,1.7695164987447312,0.0019333421785008153,0.5793660714300298,10.134844726423834,0.43855267589412084,11.130421808058864,0.32734710295170694,1.325542994225475,2.44056463208813,0.48647405259835486,6.817479722147287,0.039556644460139304,2.1173687633122404,1.6483224720381604,0.2947561523058553,4.602830947958651,0.07235961119696181,2.2585812775532643,0.4658953477979599,0.3411544527391589,2.1145725662802533,0.1052897436751804,2.704282787665503,0.19291214351679786,0.546885505013262,0.03467588283752561,0.1729781196968812,2.295888032986793,0.32105467634168333,0.4569048897126971,0.015128580787211807,1.290585899862561E-4,1.8228468662327075,9.853779573939612,1.141878235743541,12.469540388934828,1.5025063030623695,1.3333140070985492,3.11657779899754,1.2762665901951762,9.112628416302657,0.20566718855167723,2.1765713053569016,5.2442840191291555,0.6713718570743932,7.049990668387532,0.3637812568088678,2.4968597558099344,1.6484080890769333,0.5673352073578855,3.2897239133923017,0.4352896834894477,2.9788249587055193,0.6826436563249967,0.8567760318034643,0.021644241109486553,0.3543769669659386,2.271157475331605,1.0943661493863401,0.45934504892576006,0.1367212063059482,4.3848895257285296E-4,6.3358243417734865,10.134668436398332,5.324036914290252,41.350623350786705,16.023574366279647,1.4665433406535449,10.01890036940832,7.43553542807562,24.960904572588916,1.694381146809423,3.3451919516916444,22.517001573733765,3.8971076311536996,20.1215203822172,2.900152433118402,5.349980681263278,8.966269646493142,2.573683085020676,9.30594198679857,2.7129824196163774,6.225240313142961,3.1713696241002545,4.1141157316789805,0.05475197221917216,2.1369037587280553,4.763054829139296,5.241708359784477,0.4681421710262619,1.578442831206393,0.001802061668573312,2.678959149486805,9.746999908576992,1.560177889710186,14.915710278444886,2.812022074438394,1.3435523659097452,3.6609419801324283,1.9115225542546475,10.997716115981019,0.3820036246110172,2.2830256776190025,7.8478198577263285,1.0605239509741073,8.9076217323043,0.6678692551222628,2.796775090540891,2.6212410710799183,0.8050950666540101,4.160181992375823,0.7380574555197659,3.3142447660099186,1.0684584742460081,1.1182663508094708,0.018003568402438188,0.413460864887217,2.3524398545987615,1.6913283687446041,0.46102053565274764,0.29041703540640124,6.683806561308652E-4,8.09950283730374,10.079720527210737,6.775315053131426,59.09438738157568,25.059362719778825,1.5257295968206561,12.021461767030287,10.594480881351723,33.10402422349465,2.6580003007831468,4.039283991040739,30.31668523346692,5.957807366152789,26.374782387229644,4.528977103402649,6.834602835883623,12.884609102010337,3.860384046793414,12.066780726171597,4.070764130759842,7.26609188461677,4.450965214155512,5.803965136301446,0.06177249444319141,2.6204302187783006,5.334768630168334,7.307745049815106,0.4715926592934219,2.5719787596282897,0.0024430584070007284,4.324126780635909,10.058111748804864,4.267686931776439,32.64827891986499,8.80699206546861,1.5506452437263845,10.879671377298491,6.475632750892135,17.437290227087136,0.8045317614015984,2.9303726374229684,16.27012095845522,2.022218014129008,13.836675680582157,1.3875704580432036,4.4630831455393825,5.852720782125627,1.4728016519894436,6.831327651678904,1.3829464546229393,6.535732139876823,1.880922799376788,3.0117940400717793,0.08207676183270603,2.054356529053912,8.763638002156442,3.5397041782669962,0.7249281569691608,0.7072151897998438,0.001346439839572103,22.59568747556807,0.831981298409218,0.4792080078947369,0.9451543035810434,0.034800919668439845,0.5331299900502433,0.5983823860639571,0.5789339727532119,23.906876781872025,30.025915887167418,62.94151477354441,0.917731455371565,1.7104463488674124,23.073793373762125,0.472235686746437,0.09163039273968909,0.9761454351856889,0.019978106871386674,0.5573205701750295,0.1845019153280599,0.021167033533059775,23.63765945324825,13.053800549978478,37.68988937991257,0.9642181527785333,0.7629895190361492,22.23018683216087,0.5760016290491095,0.24751314967065788,0.9642784142598994,0.024985212300017552,0.516268508355717,0.28693445116223487,0.15444628103013627,23.05370161088064,18.44945536740742,44.67246975264852,0.946417621389849,0.9576492405480882,22.81204579874275,0.8301325693418118,0.460632313947769,0.9464475367492391,0.034441318080826226,0.5434873978093682,0.5967980813998667,0.5349210689723304,24.102810682032334,29.827373519310086,62.65318855239548,0.9196713051238588,1.6752065481815652,22.0193528544767,0.6346692153160571,0.3225283926209612,0.9583402386923636,0.027622476069864503,0.5063118173109417,0.3485593126566163,0.2622507906415344,22.97655046241372,21.28157072248815,48.76545721276165,0.9375103580385454,1.1171219206090923,22.71591955405591,0.8680449826163992,0.5066810527066418,0.9429352762580538,0.036032449997898834,0.5388186734633753,0.6513825567120299,0.6472174681080769,24.09064558937895,31.66798797285322,65.7495934963356,0.9144029143870809,1.8374186982834821,22.905657259471752,0.8390610178073334,0.46351907096708655,0.9461926917670117,0.03466014504637701,0.5480001674419337,0.6097043108831439,0.5416467187850122,24.208237348246172,30.225373849937906,63.34209736517552,0.9192890376505175,1.6993511971100899 +UMLCN0357,L,decyl caprate,CCCCCCCCCCOC(=O)CCCCCCCCC,Esters,,C20H40O2,BioCompoundML (2016),Unknown,UML,decyl decanoate,81,0,-4.2620999999999984,18.165496409999985,71.02449999999999,63.475719999999946,0,0,62,22,40,0,20,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3437.8609819999974,3657.5296650000046,4212.283817000012,4045.868260000001,3877.3012590000008,3680.54453,3483.7878010000004,3287.031072,3090.274343,10146.469366152547,13120.957392536153,17464.356374770086,18289.916499526516,17322.81043809865,16316.012093143581,15309.213748188453,14302.415403233323,13295.617058278194,446.2523119999996,450.53622000000047,857.5786520000005,1171.1039200000023,1100.287500000002,1037.402600000002,974.5177000000019,911.632800000002,848.7479000000021,74.8489241939599,98.75999239999992,143.5433471035271,158.69442152512852,148.96397701833627,139.94244815893998,130.9209192995437,121.89939044014766,112.8778615807517,10303.49577437496,8867.230303381,18449.283309856284,27173.347766074105,25325.090556330833,23846.135401292253,22367.18024625367,20888.225091215092,19409.26993617651,150.27777777777777,128.0,226.08333333333334,271.1666666666667,268.9166666666667,256.6666666666667,244.41666666666669,232.16666666666669,219.91666666666669,55.44937067741931,59.95950270491811,35.69732048305095,24.669928414634153,25.34183829411765,25.55933701388889,25.805835562962965,26.08754819047619,26.41260122222222,163.65273171213786,215.09766217272383,148.00302012517022,111.52388109467388,113.22098325554674,113.30563953571931,113.40158331991447,113.51123335899463,113.63775263485635,7.197617935483865,7.385839672131155,7.267615694915258,7.140877560975624,7.191421568627463,7.2041847222222355,7.218649629629644,7.2351809523809685,7.254255555555574,1.207240712805805,1.6190162688524576,1.2164690432502299,0.9676489117385886,0.9736207648257272,0.9718225566593054,0.9697845874040274,0.9674554796837116,0.9647680476987325,166.18541571572516,145.3644312029672,156.3498585581041,165.691144915086,165.52346768843682,165.59816250897399,165.68281663891608,165.7795642159928,165.89119603569668,2.4238351254480284,2.098360655737705,1.9159604519774012,1.6534552845528456,1.7576252723311547,1.7824074074074074,1.810493827160494,1.8425925925925928,1.8796296296296298,0.32529971231243643,-0.16286696686244329,0.022471960082318068,-0.00927905254405973,-0.01720043338990996,0.0010913700813679687,2.0639164721683915E-4,-5.164596469536045E-4,-0.001733336227594983,1862.3770877419327,-20.78518206867318,-563.1033161217417,133.46423965036547,-21.181161040581014,-22.38195281997748,-23.582744599374177,-24.7835363787707,-25.984328158167283,3034.7686862162686,-155.33385656032036,-1293.0853358769998,146.81049125257374,0.1076174004783752,-0.05239795610168585,-0.21241331268197428,-0.3724286692622627,-0.5324440258427785,2.2932077419354835,0.05870954422475044,0.8200721040582573,-0.020798285119663563,-0.22273368574402364,-0.23229978772113236,-0.2418658896982413,-0.25143199167535,-0.26099809365245874,13.495788104953514,-1.0420359085323285,-5.946997236673607,0.28226365980054924,-0.02193482879452735,-0.022306430279850575,-0.02267803176517469,-0.02304963325049969,-0.023421234735824692,74.1277469034696,-6.2466930195898795,-32.14370217538927,0.8462692507805953,-0.2660050029584431,-0.27198360484948747,-0.27796220674052474,-0.28394080863156557,-0.28991941052260284,42.70609318996403,0.6914961267198525,11.067435541681133,-0.14909238062203578,-4.360735345126589,-4.564689559486631,-4.768643773846675,-4.972597988206717,-5.176552202566759,0.005246769553426394,-0.0026699502764334967,1.9044033968066158E-4,-5.657958868329104E-5,-1.1242113326738535E-4,7.578958898388672E-6,1.5288270164210307E-6,-4.09888608693337E-6,-1.4814839552093872E-5,30.038340124869883,-0.34074068965038,-4.77206200103171,0.8138063393314968,-0.13843896104954911,-0.1554302279165103,-0.17468699703240131,-0.19669473316484684,-0.22208827485613064,48.94788203574627,-2.5464566649232845,-10.958350304042371,0.8951859222717911,7.033817024730406E-4,-3.638746951505962E-4,-0.001573431945792402,-0.0029557830893830375,-0.004550803639681867,0.0369872216441207,9.624515446680401E-4,0.006949763593714044,-1.2681881170526564E-4,-0.001455775723817148,-0.0016131929702856414,-0.0017915991829499356,-0.001995491997423413,-0.002230752937200502,0.2176740016927986,-0.017082555877579154,-0.05039828166672548,0.0017211198768326173,-1.433648940818781E-4,-1.5490576583229566E-4,-1.6798542048277547E-4,-1.8293359722618802E-4,-2.001814934685871E-4,1.1956088210237032,-0.10240480359983409,-0.2724042557236379,0.005160178358418264,-0.0017385947905780594,-0.0018887750336769964,-0.002058979309189072,-0.0022534984812029014,-0.002477943679680366,0.6888079546768392,0.01133600207737463,0.09379182662441639,-9.090998818416816E-4,-0.028501538203441756,-0.03169923305199049,-0.03532328721367907,-0.039465063398466005,-0.04424403591937401,-0.5088750800366084,0.036296684605920004,-0.010783699971412283,-0.021426733559122856,0.001444500053073466,2.913844415794158E-4,-7.812209103517037E-4,-0.0028236116340232755,-0.011343525915011124,-0.15886570233888317,0.02709225396438319,-0.004608742043470313,-0.005174394699253828,-0.005815467709141868,-0.006548122577585297,-0.007393493579635425,-0.05202383758021698,-0.223877925832206,0.01828855274305931,1.4370013026495533E-5,-7.433921142591242E-6,-3.214504653425733E-5,-6.0386332696161427E-5,-9.297243211378277E-5,0.02602119061357036,0.18789634054113236,-0.0034287195974186968,-0.03935888285484537,-0.043614872882512555,-0.048438328247202074,-0.05395084866399004,-0.060311449144899235,-0.07847770401946125,-0.23153101093741146,0.007906869279049772,-6.586220355529997E-4,-7.116410992016989E-4,-7.717293713369216E-4,-8.404016823486371E-4,-9.196389642852318E-4,-0.08565075951192225,-0.22783727497962097,0.004315942026924844,-0.0014541501869227104,-0.0015797600356108037,-0.001722117864123932,-0.0018848125252818163,-0.002072537134310119,0.01645742038895736,0.13616542315981195,-0.0013198161775994507,-0.04137806192556752,-0.046020422436704414,-0.051281764349326256,-0.05729472653517977,-0.06423275982654922,1.6073971316593711,0.9957083354488393,1.0006488789118102,1.1504374556512282,1.1845209874454576,1.2470629438117584,1.3182740571564562,1.4013495738390274,1.3129330317120114,1.2787772349626068,0.9389121385922983,1.0026902645732614,1.0102837309234551,1.018889659453675,1.0287250063453548,1.040073483528062,1.5006815185989322,1.403569784654188,0.9496747227550615,0.9697626373431989,0.9675235483399731,0.9649859141363171,0.9620857607607101,0.958739429942702,0.7461234186118213,0.7254928100885365,0.9431893297836181,1.1988387376494167,1.2650043174876298,1.3399919746376046,1.425692154237576,1.5245769768529274,1.5752041697496117,1.4318096528602324,0.9583817647114821,0.968361476500239,0.9657039853008494,0.9626921619415421,0.9592500781023334,0.9552784429032464,1.587485608000071,1.4306510559959842,0.9610273381061124,0.9713157779808844,0.9695404740291889,0.9675284628839341,0.9652290215750717,0.9625758200648457,0.5951531682752851,0.5141181888660513,0.8114405391850836,1.2011980285190067,1.271313295565817,1.3507772648855356,1.4415932298223568,1.5463808816725353,304.5071086816739,152.5035543408369,237.9521102992748,304.9616541362193,13.861893369828149,152.5035543408369,0.49999999999991473,0.022886738414083452,0.0010403062915492478,-8.309834818395828,424.6201849885599,19.300917499479997,13.312629191339239,304.5405939773097,152.51956256775344,237.98054473470478,304.99380412112544,13.863354732778424,152.51956256775344,0.4985311581971814,0.022903588246088846,0.0010410721930040384,-8.308215715201385,424.38687366722195,19.29031243941918,13.311420049637457,334.2069322889197,166.7044716664016,263.46873933775703,333.4814877833592,15.158249444698146,166.7044716664016,-0.7979889561164839,0.03486782345491701,0.0015849010661325915,-7.383619845990313,320.63298297822587,14.574226499010267,12.69465365034412,304.5757373092263,152.53636345483193,238.01038802224735,305.0275460368968,13.864888456222582,152.53636345483193,0.49698960043753004,0.02292126279072726,0.0010418755813966936,-8.30651864475804,424.14252435385237,19.279205652447835,13.310152990404092,365.6808931245556,181.75815229793864,291.0204254448931,363.71308537121166,16.53241297141871,181.75815229793864,-2.1645885286783084,0.042951335299277194,0.001952333422694418,-6.92491259110829,298.92154575930573,13.587342989059351,12.54039853043091,308.01336580479193,154.17981708827404,240.9340271814508,308.3281552336611,14.014916146984596,154.17981708827404,0.346268371756139,0.02460355378141954,0.0011183433537008882,-8.150701644400073,402.55676294011505,18.298034679096137,13.195239448277855,307.55797653371036,153.90537540535968,239.03069188952782,308.414484470218,14.018840203191726,153.90537540535968,1.1776984126979642,0.022067361382525297,0.001003061881023877,-8.390042369744354,374.7388234290721,17.03358288313964,13.037704487425431,0,11.889999999999995,15.995924706363363,-0.31569213017014464,0.26152468685239605,4.347420727021823,7.544752411808002,21.0,61.0,60.0,60.0,20.0,1.0,1.0,0.0,0.0,1.0,46.602279999999986,3.5888164382735765,3.510855162667463,3.448087196019478,3.330688172866369,3.1994819582458147,3.0527621658332413,2.8589069961412865,2.708766377243362,1.9325802211954195,1.924875612839732,1.81459604251824,1.7874179779415025,1.627940134421163,1.5778095922444555,1.3949324710005455,1.326592503871158,3.5622804211471424,3.538209996434836,3.425832553815394,3.35757923099608,3.1824094365607207,3.0784880930966407,2.853211544060414,2.732515439956743,1.8812676885958692,1.8656771095799012,1.7711492712815518,1.7238723663778006,1.5830667911398746,1.5081208832195188,1.3380690877551313,1.2493131516938776,3.7018127239593976,3.6634531138930764,3.5845024964034193,3.4995821475949125,3.363940308026074,3.2489017827853597,3.0670144738087872,2.943563901177937,1.7007813056834546,1.687100947633827,1.5671353012914002,1.522928027105,1.3453926365368285,1.271445041021674,1.0563371781182922,0.9648847501256446,3.5758068486738934,3.5588394065826745,3.4327778322188736,3.379577626800701,3.1896746379296896,3.1027971501109084,2.8660392097903076,2.7602744414061986,1.8542010507664348,1.827795078505614,1.749271364959846,1.682985608508395,1.5569088697408189,1.462864921041106,1.3019382418210903,1.1986412762917344,3.7470538539707117,3.723223403203628,3.629963573605664,3.565344758526725,3.4196887026805145,3.3243434603432047,3.1398273052788626,3.032271992032226,1.6500380186151649,1.6312527605473752,1.517779453905398,1.4612346438941972,1.2894154790375096,1.2001146135050167,0.9858351173184745,0.8800662565873705,5.161751012861933,3.6071253861217456,3.5757950355033317,3.5074264032632456,3.4018242120720203,3.3094406376214893,3.1180043072082615,3.0204361795928185,1.787733864608124,1.77956127849558,1.6309567303014707,1.6013771083375739,1.3946075594557608,1.3381818737044069,1.1132503022140434,1.033148576952237,0,0,1,0,0,3,16,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.08333333333333333,0.08838834764831845,0.08333333333333333,16.30527233054749,10.808060412490448,7.632269453018,5.1009536313039,3.397703079917265,2.2546009608838817,1.4896357166627652,0.9793625530579064,0.7411487422976131,0.5146695434519261,0.36344140252466667,0.25504768156519503,0.1788264778903824,0.12525560893799342,0.08762563039192736,0.06121015956611915,15.337311861099039,9.964690378025045,6.566664258170045,4.245394899343333,2.720562915195881,1.7247595222876324,1.0788968506533698,0.663410797451799,0.6971505391408654,0.47450906562024026,0.31269829800809734,0.21226974496716666,0.1431875218524148,0.09581997346042402,0.06346452062666881,0.041463174840737436,32.266154284551135,60.41806263656237,57.20784313725482,58.000000000000064,36.931568862275505,476.87414371257495,0.5204218432992118,0.9744848812348769,0.9227071473750778,0.935483870967743,0.5956704655205727,7.691518446977016,6.811000000000009,96.17900000000007,158.7759015567938,248.50828715998549,317.55180311358765,14.434172868799436,158.7759015567938,0.025982656410771188,0.001181029836853236,-8.030717254272025,379.5456444426773,17.252074747394424,13.065744702591841,623,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,17.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.85642201424856,0.010651839375685146,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.52951908166173,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.489373205733125,0.0,20.310219607309293,0.0,0.0,0.0,0.0,0.0,0.0,0.010651839375685146,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.563113256708203,5.293308757540359,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.293308757540359,0.010651839375685146,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2173970236251705,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2385637156204234,0.0,0.6158685806121703,0.0,0.0,0.0,0.0,0.0,0.0,0.010651839375685146,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.563113256708203,5.293308757540359,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.563113256708203,0.010651839375685146,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2508094901127014,0.0,1.3788991769547325,0.0,0.0,0.0,0.0,0.0,0.0,0.010651839375685146,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.563113256708203,5.293308757540359,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,41.66666666666667,1.8939393939393943,0.5559027777777779,11.563113256708203,-0.02578661017513828,0.010651839375685146,11.727433166247819,1.6560148272909816,4.563113256708203,13.691590439963376,1.6560148272909816,4.563113256708203,13.691590439963376,10.66666,0.48485,0.0,0.01515,0.46667,0.7697,0.42941,0.46667,0.7697,0.03726,0.0,-0.03726,0.0,0.62992,0.08437,0.0,0.125,0.04688,0.0,12.75,0.57955,11.25,0.51136,1.5,0.06818,-9.75,-0.44318,0.0,0.0,27.90288,1.26831,32.20868,4.30581,0.19572,9.75049,0.4432,10.80805,1.05757,0.04807,0.10595,0.00482,0.10595,0.00482,0.0,21.02,2,2,2,2,0,0,0.95,1.0942658959797504,1.5432207824897417,2.5869343639740894,3.35308735766509,3.7479557883841257,3.7797972150137564,67.84448555074452,95.67968851436399,160.38993056639353,207.89141617523558,232.37325887981578,234.3474273308529,0.18378062108413254,0.2591820460802829,0.4344724676714602,0.5631469274561459,0.6294645982440913,0.634812326966788,4.859930414407126,4.4109755278971345,3.3672619464127864,2.601108952721786,2.20624052200275,2.1743990953731194,0.18378062108413254,0.2591820460802829,0.4344724676714602,0.5631469274561459,0.6294645982440913,0.634812326966788,9.285756372440845,14.802083224109131,19.14268278679355,21.759080933033314,23.112085824647554,21.772754102343548,82.05817974081342,66.0779878347168,55.26443145674423,45.22195930692668,40.06608789994281,44.41411357581235,22.0,19.047619047619047,19.0,22,3,10,3.44,3.000999999999998,0.04999999999999999,4.40546782022508,0.20100756305184242,0.0,25.726600921246938,3.7468606001613822,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,10.344,21.0,20.0,19.0,18.0,17.0,16.0,15.0,14.0,13.0,196.0,3.1354942159291497,3.1780538303479458,3.1354942159291497,3.091042453358316,3.044522437723423,2.995732273553991,2.9444389791664403,2.8903717578961645,2.833213344056216,2.772588722239781,5.375278407684165,1.096938775510204,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.0,0.8571428571428571,20.0,0.9523809523809523,2,10.0,20.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407407,0.06000000000000002,0.03305785123966942,0.07142857142857142,0.03174603174603176,0.01875,0.012631578947368426,0.009259259259259262,0.0072028811524609835,0.005859375,0.0049382716049382715,0.004285714285714287,0.0025429116338207248,0.18347472933319126,158.7759015567938,248.50828715998549,317.55180311358765,14.434172868799436,158.7759015567938,0.025982656410771188,0.001181029836853236,-8.030717254272025,379.5456444426773,17.252074747394424,13.065744702591841,26.3,369.4201459184577,5.459431618637297,4.442651256490317,5.117993812416755,5.814130531825066,6.502790045915623,7.205635176410364,7.900636613018005,8.607582191143917,9.306650052113591,10.01668230030247,107.91475197963612,3.7612001156935624,0.0,4.844187086458591,0.0,6.056784013228625,0.0,7.3310603052186325,0.0,8.641709066113805,8.962519832949532,312.3028305200011,5.037142427741953,42.64831145677921,1.9385596116717823,5.4958155907977355,5.4958155907977355,0.0,1672.0,20.0,9.241,84.0,1.2437377049180323,2.14562821676198,2.869393239759565,3.629752676631345,4.940949141561616,5.949732212072465,7.2423981157379576,8.330788773388639,9.599907351523113,10.716528140032922,86.07390002839345,84.69723010765325,84.44269063346526,116.21758067536105,147.45824956070524,179.76746017623316,212.91808833827474,247.25978326119758,282.7563972411405,320.0409096050321,293.56743185151583,338.5387054635217,352.8507856724077,482.1548990745448,616.2965923869446,749.4153177962326,886.2982360845484,1021.8862743221416,1159.417703017406,1295.8666749372273,9.231162115934433,15.656104723702438,20.557630205771847,26.307854175096757,35.74783664081089,43.17236727667884,52.59116217920738,60.67441914713166,70.07784405931577,78.52907852230567,2.152107655757377,2.732870743792926,2.9595371962248063,3.98079919666955,5.137626239535852,6.231836745918409,7.390075768511209,8.495243206514758,9.62811366909185,10.710479758211038,178.63246953486438,332.1909362032815,471.62400872934154,586.4442919495199,808.8881718641576,971.1893335426342,1189.517393791442,1367.6570103468914,1582.077851707285,1766.9437249728232,2.6834357923497256,4.232459858278443,4.859522125096612,6.649103459887403,9.026193007555882,11.070119639071041,13.614875723604575,15.98573069926537,18.78720510162501,22.052972741501478,0.45889081967213063,0.5973858470593895,0.6554001756375902,0.8849254893023479,1.1496575266716498,1.3987433039439152,1.6681015222380275,1.926220154074513,2.196919221523568,2.4594070467205342,829.8358605827815,1228.071887148523,24.927020151679017,221.94150274797266,-328.45064073859965,-21.88121981945333,607.8943578348088,1556.5225278871226,46.80823997113235,0.7889843321545432,1.1676158186742884,0.023699901728955707,0.2110156678454567,-0.31228152667068876,-0.020804041408687655,872.8025734410653,1291.6582114456971,26.217675530825534,233.43304857392803,-345.45694890034116,-23.01417168816527,0.17666731899943633,0.21326428323147645,1.533441907295129,2.22291002471349,1003.3695193356008,48.407843995153485,0.9539751988559098,0.04602480114409021,1455.1265586753648,38.14612114849116,11.331835354131789,1842.6080019468718,42.92561009405541,12.259638122380101,2639.683635867597,51.37785160813555,13.820294364723477,5.082798729382222,5.082798729382222,16605.495503922295,16488.77725212054,180.05691125354497,1.007078648102105,92.22359413096599,91.57536435189687,8.58961343298894,12.933903917849165,25.7933268692545,0.9942414164418646,11.1692481950118,17.57227068859047,7.398313526124277,79.78635935523431,29.234740429565555,1.7336363004180417,17.335825874368044,13.920453556541682,52.44531604387007,1.5697194475015996,7.6632449666051645,46.782125934024705,8.85637748710874,41.73038892580356,2.7078878461589397,18.60013461771915,14.416022545588154,10.25777604745925,17.64690130124549,4.0602766519303355,41.00951144506906,1.3253663831707707,17.052584179338506,0.28005229447832775,1.6040168999113842,51.761846341301954,5.2306085029563,13.539159159975778,0.318671617715148,0.22902620173609617,0.9538651244591702,17.722646345276793,0.6059910842168983,19.178626751073725,0.270682789009454,1.6893172107223526,3.395114233625458,0.7249895858956461,13.19122690717981,0.04815026333374814,4.8709274456574105,3.2667023114368785,0.7364380494343642,9.191591497747497,0.11439424894697799,7.2342269767218825,1.8855572938212348,1.1945992886546206,4.647042084275766,0.18468262075969302,9.383790794776687,0.9271686063679219,2.5909308035033622,0.03765350111644484,0.17901290165510828,7.904898720314298,0.30174289117284697,3.3748676278874994,0.005603453657058036,0.016458289642563618,3.031775460983811,17.44160433126062,1.6972827374656676,22.50161451991149,2.1964949347624763,1.5167794432570638,5.245137991932303,2.0543002498121585,17.884733139972756,0.21046190321640057,4.735691832291167,9.807302127006809,1.5135469735040328,13.82460957190991,0.44364463263445475,8.778719996696326,2.7914585153228075,2.0111525754261863,6.326181836489704,0.6990153806952505,13.972842035616356,0.626558409509545,4.021004478925297,0.039219703679681334,0.3114419274178892,14.317306456201951,1.0254756315953484,4.72262925699671,0.03200671397528977,0.054941561231939696,10.547974287914014,17.722770138546096,7.4435968682835725,74.76296018526929,26.11095402636218,1.8157261506308324,17.605104684013593,13.085722643148888,50.14265897311973,1.4241261823561648,7.62058829072438,43.961773631370924,8.317447267956014,40.02486629349785,2.478314331289048,18.254443095758802,13.738860289822268,9.342590947962329,17.577542036096194,3.7251075414588306,39.45241027909956,1.559680644396214,16.947823419074673,0.2617346978015243,2.011368150030545,48.778152039501784,4.91954583547232,12.659726562482565,0.286239329684097,0.21427723492379366,4.46069746544324,17.33485409475867,2.393743552117532,27.302104190852337,4.692464196420184,1.4599292714275558,6.586717381654879,3.2641623888665543,21.802893101954975,0.3659092583913343,4.871235523266005,14.868585183247117,2.2402607420340694,17.408281026610208,0.7290895022933906,10.08895946829069,3.886740311669253,2.877903873332841,7.597634837578001,1.1342640553287813,17.676818947152,0.5340527674720092,5.122030241069291,0.05516245412598008,0.3097856864732311,19.433013293570923,1.5831698813334831,5.863682347508581,0.061266436683343334,0.0828159238657385,13.488507788954632,17.66801341666868,9.579911069811898,107.90831980663435,42.610274186395124,1.8608413515733966,21.814279464446457,19.323662669060504,67.17891756699831,2.16836987766704,9.014757088582881,60.58983410219874,12.271941126519838,52.496657442284416,3.6382857369047286,21.755938043170726,19.471630846477062,14.078640335866924,22.021437400945494,5.412424235599442,50.297686206502355,1.6587761480528893,23.265354963596508,0.3997651189496116,2.339979489818804,65.63381196218707,6.854393937662767,17.08732298057229,0.45381687335005294,0.28560575737396626,7.299025798265191,17.549425367421957,5.829380807589585,53.56292918444169,12.490261922334835,1.9651803802367325,16.89932713593821,9.821483974450315,36.47831758473158,0.7457592868384536,6.714411338716512,31.011082730995355,6.167668520009237,31.464267944163005,1.3703784931803775,14.905505154292275,12.35397895551733,5.120684038861597,18.871417057621866,2.090016287455172,29.542293805827125,4.681949949225243,15.415594914904382,0.18413342491896134,2.303295052293255,36.34232033731836,3.5289182841055413,8.754914388425481,0.14020714707674883,0.13405895531856507,61.09825829080228,0.8600160245618592,0.5068296822580642,0.9781182513220189,0.013767943532033448,0.5766521344969362,0.6208483005726911,0.6128942301026933,62.4651039976222,83.9477736874234,173.04448722721327,0.9671773769830283,1.8103946651723204,52.70288345952339,0.48239029961822766,0.10134712522125322,0.9890453285430455,0.009052747042546784,0.42906710026779704,0.19522473452721176,0.024506670901333717,53.286620884362875,30.813534342378382,86.67673965013816,0.9835679928145682,0.6487985056963426,57.77006040560489,0.5915932753002906,0.2638382853902354,0.985408539323093,0.010091058607071572,0.5155388038650935,0.29378387786899174,0.16608755135856382,58.625491966295414,49.57441788935618,117.21694715772499,0.9781128089846395,0.9754102330926491,60.25543228717477,0.8579497154171587,0.49093206631144876,0.9781041019266945,0.013926779778077823,0.5608521422472389,0.6178834627547365,0.5750482024989957,61.60431406890338,81.69864988893282,168.68225236168635,0.9671561528900419,1.7537838075009708,59.63537296814655,0.654959347892337,0.3397273680462567,0.9835941656478414,0.01080255159412713,0.5493687927122415,0.36008680665337317,0.2753737377691864,60.63005968408514,59.541020906895625,133.44040522580465,0.9753912484717621,1.184829337134801,61.31145306988727,0.8976738929080916,0.5365654064205855,0.9771420276807345,0.014306542154732918,0.5806834752993496,0.6764089034207611,0.6869209928958316,62.74569236921595,88.41695624895956,180.69396952770802,0.9657130415211019,1.9440133716159425,60.47881174998394,0.8667471636773634,0.49367945852701295,0.9780005922127233,0.01401613581429838,0.5650181638857736,0.6306217443292129,0.5815024710048766,61.83923837218832,82.70488085440907,170.42271673649248,0.967000888319085,1.7771423792198633 +UMLCN0358,L,decyl laurate,CCCCCCCCCCCC(=O)OCCCCCCCCCC,Esters,,C22H44O2,BioCompoundML (2016),Unknown,PubChem,,84,0,-4.838100000000001,23.407211610000008,76.8477,69.66289199999994,0,0,68,24,44,0,22,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3730.4534799999974,3994.4862590000052,4599.700891000011,4439.381718000032,4270.814717000031,4074.0579880000014,3877.301259000001,3680.544530000001,3483.7878010000013,11117.83814737493,14426.93766151689,19291.450598094754,20303.51318943674,19336.407128008836,18329.608783053725,17322.81043809865,16316.012093143578,15309.213748188447,488.2071999999995,494.0877800000005,943.0376680000003,1296.8737200000023,1226.057300000002,1163.172400000002,1100.287500000002,1037.402600000002,974.517700000002,82.20517581335578,108.79196963999989,158.91872739322525,176.73747924392075,167.0070347371286,157.9855058777325,148.96397701833624,139.94244815893998,130.92091929954373,11296.755094651957,9733.309206412598,20297.68770778796,30131.25807615127,28283.000866407998,26804.045711369414,25325.090556330833,23846.135401292253,22367.18024625367,158.77777777777777,138.5,244.58333333333334,295.6666666666667,293.4166666666667,281.1666666666667,268.9166666666667,256.6666666666667,244.41666666666669,54.85960999999996,59.61919789552247,35.382314546153935,24.39220724175842,24.975524660818895,25.14850609876544,25.341838294117654,25.559337013888896,25.805835562962972,163.4976198143372,215.32742778383417,148.3957738314981,111.55776477712494,113.07840425736161,113.1457332287267,113.22098325554674,113.3056395357193,113.40158331991442,7.179517647058816,7.374444477611948,7.2541359076923095,7.125679780219793,7.169925730994164,7.180076543209888,7.191421568627463,7.2041847222222355,7.2186496296296445,1.2088996443140556,1.6237607408955208,1.2224517491786557,0.9710850507907733,0.9766493259481205,0.9752191720847685,0.973620764825727,0.9718225566593054,0.9697845874040276,166.12875139194054,145.27327173750146,156.13605929067663,165.55636305577622,165.39766588542687,165.45707229240378,165.52346768843682,165.59816250897399,165.68281663891608,2.3349673202614376,2.0671641791044775,1.8814102564102564,1.6245421245421245,1.7158869395711502,1.73559670781893,1.7576252723311547,1.7824074074074074,1.810493827160494,0.33378538621335374,-0.1628669668583671,0.01822912337549952,-0.009279042805386637,-0.017200170704953277,0.0010961434530493207,2.63472367524493E-4,-1.0494208017839475E-4,-4.97873331748718E-4,2024.5283261176514,-21.106973968852884,-645.6575054013799,134.00067268512012,-18.958022266436284,-19.956258339100952,-20.95449441176562,-21.95273048443006,-22.95096655709416,3335.035835038237,-155.63528334395826,-1444.536305165753,146.3648846101203,0.14532350925646398,0.012300362480068827,-0.12072278429678107,-0.25374593107363097,-0.38676907785048087,2.330643764705876,0.06091017301036225,0.8102198615916777,-0.006996429065739353,-0.20025887889273974,-0.20821132179931578,-0.21616376470589171,-0.22411620761246764,-0.23206865051904357,14.837913026831519,-1.0407784301547445,-6.612636662463377,0.28514378894959824,-0.019889786715363345,-0.0201987045591292,-0.02050762240289772,-0.02081654024666535,-0.021125458090432092,81.42059787353165,-6.234129318107801,-35.73610386987348,0.8772718196173983,-0.24077038916377091,-0.24574048987077646,-0.2507105905777678,-0.255680691284752,-0.26065079199175045,43.16339869281033,0.7573048827374083,10.976835832372183,0.08554402153018065,-3.915801614763532,-4.085351787773914,-4.254901960784296,-4.424452133794678,-4.59400230680506,0.004908608620784614,-0.0024308502516174196,1.4022402596538093E-4,-5.098375167794855E-5,-1.00585793596218E-4,6.76631761141556E-6,1.7220416178071437E-6,-7.287644456832969E-7,-3.6879506055460597E-6,29.77247538408311,-0.3150294622216848,-4.96659619539523,0.7362674323358248,-0.11086562728910108,-0.12318677987099352,-0.13695747981546155,-0.15244951725298653,-0.17000715968217894,49.04464463291525,-2.3229146767754965,-11.111817732044253,0.8042026626929687,8.498450833711343E-4,7.592816345721498E-5,-7.890378058613142E-4,-0.0017621245213446596,-0.0028649561322257842,0.034274173010380535,9.09107059856153E-4,0.006232460473782136,-3.844191794362282E-5,-0.0011711045549283026,-0.0012852550728352826,-0.0014128350634372007,-0.0015563625528643586,-0.0017190270408818042,0.21820460333575764,-0.015534006420220067,-0.0508664358651029,0.0015667241151076827,-1.1631454219510728E-4,-1.2468336147610618E-4,-1.3403674773135763E-4,-1.4455930726850938E-4,-1.5648487474394143E-4,1.197361733434289,-0.09304670624041493,-0.2748931066913345,0.004820174833062628,-0.0014080139717179585,-0.0015169166041405955,-0.0016386313109658026,-0.0017755603561441112,-0.0019307466073462997,0.6347558631295637,0.011303057951304601,0.08443719871055526,4.7002209631967387E-4,-0.022899424647739954,-0.025218220912184654,-0.02780981673715226,-0.03072536204024082,-0.03402964671707452,-0.49522185193670254,0.028566959967357693,-0.010386599465695246,-0.020491711881510714,0.0013784593831263738,3.5082072148010955E-4,-1.4846660265344357E-4,-7.513230103394475E-4,-0.010581231763822538,-0.1668183827956227,0.024729802370730865,-0.003723762497369359,-0.004137606238037276,-0.004600137477607302,-0.0051204851221235284,-0.005710212452575165,-0.047363268592561535,-0.2265653633584858,0.016397359359257044,1.732798942131144E-5,1.5481438192796575E-6,-1.6088154206581172E-5,-3.592898948567461E-5,-5.8415269468647166E-5,0.02652455128766532,0.18184130866978254,-0.001121600160330054,-0.034168718077416865,-0.03749922930149242,-0.04122156537545921,-0.04540919345867184,-0.050155171952979485,-0.07119009490518148,-0.23311348655112132,0.0071800690322601475,-5.330526506635186E-4,-5.714057337472957E-4,-6.14270944252773E-4,-6.62494306071407E-4,-7.171474494658286E-4,-0.07770977110946842,-0.22958233841571202,0.004025663004309766,-0.0011759303244805344,-0.001266882481528581,-0.0013685348923469086,-0.001482893854517486,-0.0016125006783108947,0.017806937450843947,0.13302310953734395,7.404769670063449E-4,-0.03607595609253288,-0.03972900823294517,-0.04381183121340596,-0.04840500706642435,-0.05361060636651187,1.6046668232671286,1.0067651782646092,0.9932725096298043,1.131725191895314,1.158608626480145,1.2111789039900767,1.269648543898677,1.3359673809345123,1.327375062789729,1.2960746750753849,0.9428991472854877,1.0001856308285764,1.0062876223640156,1.0131074952565653,1.0207798522606835,1.0294751901986843,1.5005764120818161,1.4124967040635021,0.9546990017155205,0.9730184209139835,0.9712385675976569,0.9692493197735274,0.9670114159713818,0.9644751249956167,0.7544902514185438,0.7326567988889944,0.933493871211259,1.1751751130672043,1.2320456580916268,1.2956068554718636,1.3671132025246304,1.4481537291844324,1.568378937428464,1.4381874391010614,0.962621337214358,0.9718753997778778,0.9697639292183605,0.9674040503577235,0.9647491866395069,0.9617403410921952,1.579582563854358,1.4369856275433415,0.9648352213705345,0.9742866512449228,0.972874741296216,0.9712967242947202,0.9695214551680374,0.9675094834911305,0.6004315566323457,0.5190720658808197,0.8031283903861153,1.177040496456165,1.2376407676604564,1.3053704825358405,1.3815664117706479,1.467921798236763,365.5196320663804,183.00981603319016,285.8724106879536,365.97796539971375,15.249081891654734,183.00981603319016,0.49999999999994316,0.020338087754417977,8.47420323100749E-4,-9.348623776372163,321.5311713893969,13.397132141224871,13.855426788210803,365.55564569247474,183.02708842533576,285.9027293504324,366.0126325874884,15.250526357812015,183.02708842533576,0.4985311581967551,0.02027462441871991,8.447760174466629E-4,-9.356124488415297,321.8994426118858,13.412476775495241,13.85817409619166,397.4516650186267,198.3268380312552,313.1063523866043,396.7201751421867,16.530007297591112,198.3268380312552,-0.7979889561163702,0.027806276108590322,0.0011585948378579302,-8.597984458712478,257.7796566755009,10.740819028145872,13.325052422699875,365.59344251308926,183.04521605676345,285.93455029622197,366.0490163134904,15.252042346395433,183.04521605676345,0.4969896004376153,0.020208043976214618,8.420018323422757E-4,-9.364018889274949,322.28834129973114,13.428680887488797,13.861071875340937,431.2749525588063,214.55518201506382,342.5675025710203,429.29074640751753,17.88711443364656,214.55518201506382,-2.164588528678678,0.06507559853361339,0.002711483272233891,-6.557293513312754,188.25403616615452,7.843918173589771,12.570701536578769,369.29046833523466,184.81836835349552,289.0522932326756,369.6078810093446,15.400328375389362,184.81836835349552,0.34626837175633796,0.013818643999591484,5.757768333163119E-4,-10.276167801971337,376.96816859217085,15.707007024673786,14.237185801057896,369.34484647378747,184.79190703119778,287.56366807172026,370.22823391967495,15.42617641331979,184.79190703119778,1.1778499278498487,0.04979728651759752,0.00207488693823323,-7.199507481682745,277.89721238507235,11.579050516044681,13.505403133675316,0,11.890000000000006,15.995925717758166,-0.31569851437483354,0.26153205820829284,4.349262164271181,7.59367268319977,23.0,67.0,66.0,66.0,22.0,1.0,1.0,0.0,0.0,1.0,50.975107999999985,3.5900038574367374,3.51740927288961,3.4747931932374883,3.3547408742743183,3.274729892754943,3.099200046787293,2.9982797066818776,2.774228726484141,1.9398004314246644,1.92966568396584,1.8429455703374074,1.8056877895898273,1.688046471262336,1.615299307096441,1.4891435197887322,1.3838611725342977,3.5693056324012704,3.5435600876655786,3.4606446729221507,3.3776664281805013,3.2666107705937204,3.118996270837617,2.999473375212457,2.793964697842273,1.8866827696419717,1.8711908800282788,1.7956219730968697,1.7444324721248852,1.6399578136353405,1.5488436431162043,1.4332185688971368,1.3087330034162108,3.70509833591404,3.6696042687833237,3.6102807175262606,3.5222359134911647,3.430916499847235,3.292953753152828,3.185930589873514,3.0064783973539035,1.7088705617551605,1.6922078619294676,1.6009972301795676,1.54212822737292,1.4214060771875414,1.310172984384998,1.182403397799259,1.0232715640067742,3.584509594870116,3.563816632135583,3.470557824692501,3.3983444157296723,3.2766591673466428,3.1409239855098727,3.0136952626073144,2.8187153895394093,1.8578398628197978,1.833744928772922,1.7713889290747908,1.7049153618146202,1.612446815648164,1.5054705729400266,1.3984029383779697,1.259153877380631,3.7521318030988087,3.729015123908219,3.6568130278251276,3.5868124732875977,3.485303194481025,3.366553843040328,3.252947367411847,3.0934975782212866,1.65732378604839,1.6365899536759996,1.5508997021174198,1.4812265566196312,1.3669763205123782,1.2402071340618892,1.1178187728023279,0.9401257434321011,5.17487009339993,3.6110195274506256,3.5931672968657598,3.5138322598071112,3.464409327098299,3.3221459869314436,3.2487661305894706,3.0461227617901887,1.795443712641379,1.7833771951613606,1.6679966777441568,1.6237889902418603,1.4712350348336436,1.385651646087548,1.2277060708177177,1.10509181983157,0,0,1,0,0,3,18,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.08333333333333333,0.08838834764831845,0.08333333333333333,17.71948589292058,11.808060412490448,8.339376234204547,5.6009536313039,3.751256470510539,2.5046009608838813,1.6664124119594022,1.1043625530579064,0.7383119122050242,0.5133939309778456,0.3625815754001977,0.2545888014229046,0.17863126050050188,0.12523004804419408,0.0877059164189159,0.06135347516988369,16.751525423472135,10.964690378025045,7.273771039356593,4.745394899343333,3.074116305789155,1.9747595222876324,1.2556735459500068,0.7884107974517991,0.6979802259780056,0.47672566860978455,0.31625091475463446,0.2156997681519697,0.14638649075186452,0.09873797611438162,0.06608808136578984,0.043800599858433285,35.34980989212292,66.19373634377287,62.65882352941166,63.52000000000008,40.52867784431144,522.9306538922156,0.5198501454723958,0.9734372991731304,0.9214532871972303,0.9341176470588247,0.5960099682986977,7.690156674885523,7.5912000000000095,105.41300000000008,189.7053021774661,297.06993672871937,379.4106043549323,15.808775181455509,189.7053021774661,9.43689570931383E-16,3.932039878880763E-17,-83.032162574834,3000130.890112612,125005.45375469216,35.793999541723586,749,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,19.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.955231348853353,0.014714435029189898,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.962259917942776,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.5106472757172345,0.0,23.186073607066888,0.0,0.0,0.0,0.0,0.0,0.0,0.014714435029189898,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.635025731374174,5.320205617479177,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.320205617479177,0.014714435029189898,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.21504972057856675,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2529763348120135,0.0,0.6179091887133844,0.0,0.0,0.0,0.0,0.0,0.0,0.014714435029189898,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.635025731374174,5.320205617479177,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.635025731374174,0.014714435029189898,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2576709409052214,0.0,1.3904423868312756,0.0,0.0,0.0,0.0,0.0,0.0,0.014714435029189898,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.635025731374174,5.320205617479177,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,44.66666666666667,1.8611111111111114,0.5559027777777779,11.635025731374174,-0.03864821438289656,0.014714435029189898,13.122212366376969,1.6519522316374768,4.635025731374175,13.931757249141175,1.6519522316374768,4.635025731374175,13.931757249141175,11.66666,0.48611,0.0,0.01389,0.46373,0.76389,0.42973,0.46373,0.76389,0.034,0.0,-0.034,0.0,0.63636,0.07793,0.0,0.11429,0.04286,0.0,13.75,0.57292,12.25,0.51042,1.5,0.0625,-10.75,-0.44792,0.0,0.0,31.57614,1.31567,36.01651,4.44037,0.18502,10.75049,0.44794,11.80805,1.05757,0.04407,0.10595,0.00441,0.10595,0.00441,0.0,23.02,2,2,2,2,0,0,0.9545454545454546,1.0827203878670804,1.50361196593715,2.4905624303286817,3.2308373605301015,3.6551489228150595,3.815076813931515,73.62498637496147,102.2456136837262,169.35824526235035,219.6969405160469,248.55012675142405,259.42522334734304,0.17786069765063142,0.24700141999196407,0.4091297959885584,0.5307362763082593,0.6004388064674094,0.6267104889872172,5.00474245338326,4.58385087531319,3.5969004109216582,2.8566254807202385,2.4323139184352804,2.272386027318825,0.17786069765063142,0.24700141999196407,0.4091297959885584,0.5307362763082593,0.6004388064674094,0.6267104889872172,9.123484061109917,14.291680486774288,18.419309950798436,21.036696951882796,22.662137914208323,22.357671818726615,89.80102835834022,73.71972487899073,62.75665689557884,52.13320271154674,45.2606595866236,46.17324553769547,24.0,21.043478260869566,21.0,24,3,12,3.6599999999999997,3.2827999999999964,0.045454545454545456,4.48774090445057,0.18181818181818182,0.0,29.770515631135044,3.8748262131472875,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,11.341999999999999,23.0,22.0,21.0,20.0,19.0,18.0,17.0,16.0,15.0,218.0,3.2188758248682006,3.258096538021482,3.2188758248682006,3.1780538303479458,3.1354942159291497,3.091042453358316,3.044522437723423,2.995732273553991,2.9444389791664403,2.8903717578961645,5.472270673671475,1.0871559633027523,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.0,0.8695652173913043,22.0,0.9565217391304348,2,11.0,22.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407407,0.060000000000000026,0.049586776859504134,0.06521739130434782,0.028985507246376826,0.017045454545454544,0.011428571428571434,0.008333333333333335,0.006444683136412459,0.005208333333333333,0.004357298474945533,0.0037500000000000016,0.003305785123966942,0.16890080773014973,189.7053021774661,297.06993672871937,379.4106043549323,15.808775181455509,189.7053021774661,9.43689570931383E-16,3.932039878880763E-17,-83.032162574834,3000130.890112612,125005.45375469216,35.793999541723586,26.3,404.0121151701916,5.584962500721157,4.532599493153256,5.209486152841421,5.905361848054571,6.594413459749778,7.29641326877392,7.991253929840199,8.697011617992073,9.395574350217172,10.104180975012746,112.72629509563512,3.8501476017100584,0.0,4.9344739331306915,0.0,6.1463292576688975,0.0,7.418780882750794,0.0,8.726967774991493,9.048644632975885,340.33413064800123,5.004913686000018,46.64827230841075,1.943678012850448,5.496506124763737,5.496506124763737,0.0,2179.0,22.0,10.379,92.0,1.2442686567164174,2.147011217095135,2.8694626438057904,3.6292564048794356,4.9431592367328765,5.9538099308602055,7.250234302653818,8.342386754703996,9.617486430754807,10.740987519151764,85.72891298617917,84.07603647858886,83.72729390825373,114.84344476263206,145.52771259779124,177.05044625780664,209.28300956052053,242.37919485081656,276.3461762932672,311.5038039977856,294.1560185336189,339.5860678292956,353.2824343830056,482.24898763188907,616.4249912428949,749.6811233383206,886.6330068781659,1022.3898999854773,1160.0523997320943,1296.6563645375143,9.220253708537323,15.637552794986364,20.511865978616203,26.22705182422742,35.64306723788362,43.03839494241772,52.41913751599101,60.45629285895921,69.79865422812333,78.17259646186488,2.1601650099898513,2.74763249771916,2.9718153609541904,3.9970378887227085,5.161948217686568,6.266465638113943,7.437498444816717,8.559183901182779,9.713106055435171,10.822810524500234,178.57459451783131,331.9685335095271,471.2139555037427,585.7504034983588,808.4304728278062,970.7056020798972,1189.295208277072,1367.5456467788056,1582.3515472220847,1767.5148950932694,2.6450907960199,4.164442226005683,4.770694659784564,6.499709781336535,8.796704387571353,10.762489575621462,13.187177861010241,15.423875320220153,18.025167756714634,20.64693976098592,0.4593163432835817,0.5985475173695924,0.6554241745231449,0.8841923723156062,1.14865318832147,1.3976616416046166,1.6666597068196907,1.9245580827976234,2.1947386349473232,2.4566998675254728,869.341584551214,1379.006757572222,25.05345418464255,234.97265726921492,-372.7290721819371,-23.418213974436135,634.3689272819992,1751.735829754159,48.47166815907869,0.7872230128248009,1.2487448819812106,0.02268688860096803,0.21277698717519886,-0.3375208415020568,-0.021206114245010465,960.0262928266446,1522.856801953617,27.666886262896398,259.4836518607847,-411.61002275102794,-25.861067209968024,0.16482074379213418,0.19896366790181755,0.8086088594677726,2.918123575160909,1055.2660119790264,49.04822984140281,0.9555848978633579,0.044415102136642064,1579.289696967664,39.74027801824823,11.645387226168129,2005.5192845663212,44.78302451338365,12.61078962539855,2875.0315374377033,53.61932056113452,14.219386892272183,5.3948292833524905,5.3948292833524905,21800.70733776899,21676.374659705245,194.32980368653443,1.0057358612782639,112.1840650492028,111.54426263235736,9.127109347317479,14.278997464446961,28.274015323991502,0.9801120768030461,12.28485040875603,19.46930530401038,7.985430182176344,89.99310455614821,33.74815440271425,1.7336334749752735,18.16943678128654,14.665523730962,66.37980642227228,1.6313216245033897,7.6633100563972825,55.59329916419582,8.302258168988448,56.08335179588965,2.7080239324573068,18.53883262845155,22.327017504461278,10.279506042302721,31.36743963559063,4.287104332712148,40.53829741944726,6.008946654796528,16.661698325206846,6.090064100239477,3.9397110336802785,57.07953036055582,1.3415711264700625,17.005996275327075,0.2115787935615713,0.3534400334108258,1.0474898877164547,19.619596749990027,0.6403807712283761,19.672545732000494,0.31873467818204404,1.6893444230828243,2.634530210556696,0.7179950520021121,18.227188685051395,0.04856017525389243,4.870744485270375,5.149035842954907,0.6507795921115754,13.106902886145422,0.11439492472924787,7.151214204286362,1.2203854587164842,1.190350331277574,7.149001216427118,0.1862801738650779,8.91201938547457,0.4057218973343383,2.28513082626793,2.07847742147827,0.2688897085020785,8.699821749115248,0.11338075664314878,3.6745479643017913,0.0039548975584619275,0.03333543663089485,3.3340076096715867,19.338560520590864,1.8408673331957586,24.43627981407015,2.5779453233085428,1.516803880771005,5.224780222867755,2.139176998008325,22.862672005289834,0.2149714291592149,4.735969983435549,12.38560648907364,1.379418485003016,18.6428037503277,0.4436544802817891,8.736063440047511,3.540182284036617,2.0100236021710605,10.436212487101539,0.715663242692421,13.692550052734328,0.9468628631058601,3.6716019398033266,2.501207831406864,0.7163526197655403,15.618341407153602,0.3628381307074441,5.314272309090577,0.020426025900347734,0.07898646198226228,11.601011774449148,19.61979556408302,7.989409901453709,84.08558223749226,30.335692512597234,1.815714564528113,18.10680082678435,13.917030495790025,64.96775467822978,1.4790035333839113,7.620406353689842,52.163541131187124,7.540713363582748,54.31728515145245,2.478435466127235,18.17152126672878,21.492912359276616,9.357675519231302,30.423968587999138,3.9272069157244722,38.86987008043329,6.384851752277576,15.540213230651636,6.2454898108160855,4.0547521763498064,54.15931103891603,1.2665597662239094,16.115399279618615,0.18996614654073274,0.3876879642733658,4.906132044432346,19.23181764130407,2.6119287017805837,30.223801854127416,5.42101847517382,1.4599537959484552,6.931700078738972,3.383597877411274,27.055228386558035,0.37572435264065196,4.871688906112511,18.28321370009026,2.126730552567771,23.123758423734643,0.7291111301746152,10.061639301301154,5.447247092486151,2.8802428979810597,13.034905465206307,1.1704254471017426,17.462073239308303,1.2623571223143555,5.005921754222943,2.8506663597262127,0.9999243813058057,21.126328540485858,0.5344372696635818,6.683871256497373,0.039438028952651215,0.10075278638325627,14.83575902686735,19.56508663903316,10.305478552299489,122.21128454687839,49.20169275499675,1.8608229379452994,22.794382123980824,20.423891185802432,85.40033106950841,2.2582151220709292,9.01466575398792,71.38831428020634,11.462294897201811,70.7112620917177,3.6384842559519233,21.68094617712404,30.718460750497105,14.110973065309661,39.2894666530792,5.743231092641303,49.73089237044552,8.543111659987078,22.646042440904996,7.414270400981206,5.403330172969637,72.5879471957247,1.6215225585931898,21.95313508199979,0.3026496029899095,0.47535303165466736,8.042768246455475,19.439128902003247,6.166644256536995,58.132638910648055,15.798942865368785,1.9785540988079942,14.753943805096053,11.291356944799562,59.801399371143326,0.7763230676976322,6.757849500045447,37.17398688674133,4.051027112208185,47.519110544606825,1.3798085911759366,14.726641243430596,19.383119137609302,5.133085488968143,27.59713874027561,2.198358995655032,28.051921801677015,9.507760418961094,9.454252243646284,8.504283208360986,3.2583051979471307,37.84974457281902,0.9313311332104308,11.218970897982606,0.09380185069775404,0.3623882299836789,72.8303663309854,0.861756910532479,0.510688592647059,0.9815041307835234,0.011613534436651947,0.5745457361753313,0.6277466937736961,0.6176387628729139,74.20281183416493,100.39579818972305,206.65048398081765,0.972256196175285,1.8199311928219413,63.593093874696216,0.474472537379377,0.10277586935218708,0.9910044362207083,0.007393953663181553,0.4380455093483974,0.19030017749172704,0.025015232770407386,64.17034228142778,36.757776445812084,104.02919318450436,0.9865066543310624,0.6533609196105319,69.17336033326096,0.5901546741590877,0.26613946440373576,0.9877724066322883,0.008427210995258226,0.5182953292673081,0.29440644878624217,0.16774160239474523,70.02965447182378,59.389806446961536,140.28406746445725,0.9816586099484323,0.9804433804482956,71.91235683421255,0.858944025245318,0.4952022830509215,0.9815175250596808,0.01172355699267656,0.5601529450343498,0.623655897167098,0.5807477111784228,73.26650314250878,97.8052035702452,201.6597026474735,0.9722762875895212,1.7645565533798706,71.21501067980688,0.655562443494695,0.3421190004036747,0.9861841261617935,0.009078216366337264,0.5493418725239899,0.36328128749381833,0.27718940052136865,72.21269212370524,71.27417505013814,159.45899596701886,0.9792761892426901,1.189812560539177,73.06690714717305,0.8996029922157796,0.5407464576548615,0.9806683333187202,0.012074031890357833,0.5782838500131094,0.6840954375506322,0.6924837659229074,74.50725659704369,105.72833664451632,215.77951128799668,0.9710024999780802,1.954863053486649,72.15095584714138,0.8673982526106201,0.4979405372982327,0.9814280793577868,0.011798721043993893,0.5638761911738991,0.63599307072809,0.5871880350483927,73.51629463705024,98.94241149905955,203.62162403233913,0.9721421190366802,1.7870572969503817 +UMLCN0359,L,decyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCCCCCC,Esters,,C24H48O2,BioCompoundML (2016),Unknown,PubChem,,72,0,-5.414100000000001,29.312478810000012,82.67090000000002,75.85006399999993,0,0,74,26,48,0,24,0,2,0,0,0.0,0.0,0.0,0.0,0.0,4023.045977999997,4331.442853000002,4987.11796500001,4832.895176000032,4664.32817500003,4467.571446000029,4270.814717000031,4074.0579880000023,3877.301259000002,12089.206928597314,15732.917930497624,21118.544821419422,22317.109879346983,21350.003817919078,20343.205472963957,19336.407128008836,18329.608783053725,17322.810438098655,530.1620879999995,537.6393400000004,1028.4966840000002,1422.6435200000028,1351.8271000000025,1288.9422000000022,1226.0573000000022,1163.172400000002,1100.287500000002,89.56142743275173,118.82394687999985,174.29410768292337,194.7805369627129,185.0500924559208,176.0285635965247,167.0070347371286,157.9855058777325,148.9639770183362,12290.014414928952,10599.388109444195,22146.092105719654,33089.16838622844,31240.91117648516,29761.95602144658,28283.000866407998,26804.04571136942,25325.09055633084,167.27777777777777,149.0,263.08333333333337,320.1666666666667,317.9166666666667,305.6666666666667,293.4166666666667,281.1666666666667,268.9166666666667,54.36548618918915,59.33483360273976,35.120549049295846,24.164475880000158,24.67898505291021,24.81984136666683,24.975524660818895,25.148506098765445,25.34183829411766,163.367661197261,215.5194237054469,148.72214662971425,111.58554939673492,112.96298316359301,113.0178081831331,113.07840425736161,113.1457332287267,113.22098325554677,7.164352540540533,7.3649224657534305,7.242934394366198,7.113217600000014,7.152524338624351,7.160790000000012,7.169925730994165,7.180076543209888,7.191421568627463,1.2102895599020504,1.6277252997260254,1.2274232935417138,0.9739026848135645,0.9791010182852953,0.9779364644251372,0.9766493259481205,0.9752191720847685,0.9736207648257269,166.08127587741828,145.1970973896465,155.9583951107018,165.4458419311422,165.29582633060932,165.34420011914764,165.39766588542687,165.45707229240384,165.52346768843688,2.2605105105105103,2.041095890410959,1.8526995305164322,1.6008333333333333,1.682098765432099,1.6981481481481482,1.7158869395711502,1.73559670781893,1.7576252723311547,0.3422710601141817,-0.1628669668583668,0.013986286425130464,-0.009279042801311015,-0.01720017046135791,0.0010961531917224308,2.6373505248124436E-4,-1.0016870849705235E-4,-4.407926114411068E-4,2186.561203459455,-21.378182872163435,-727.9223428816596,134.41492816362324,-17.148175105916266,-17.991097604089745,-18.834020102263466,-19.67694260043696,-20.519865098610452,3635.2872112813493,-155.88804325158563,-1595.7670354210209,145.98684935921034,0.16988139630400667,0.05755505760846802,-0.054771281086615886,-0.16709761978215454,-0.2794239584774658,2.3671368648648548,0.0627412008765284,0.799324934989021,0.004286959824694495,-0.1818491278305403,-0.18856426588751818,-0.1952794039444958,-0.20199454200147343,-0.20870968005845095,16.180001320264235,-1.0397253621687226,-7.2791401550096975,0.2875459805907861,-0.018192707388102344,-0.018453561316076825,-0.018714415244052193,-0.018975269172029338,-0.019236123100005595,88.71285953784242,-6.22361093721398,-39.337019307713,0.9030717458519502,-0.21989067341396207,-0.2240874859905,-0.2282842985670308,-0.23248111114355452,-0.23667792372009955,43.600600600600536,0.8121702783864915,10.872270919568187,0.27615453291128644,-3.5519844168493115,-3.6951546140735596,-3.8383248112978086,-3.9814950085220575,-4.124665205746307,0.00462528459613759,-0.0022310543405255727,9.849497482486243E-5,-4.639521400655508E-5,-9.100619291723762E-5,6.0897399540135045E-6,1.5423102484283297E-6,-6.183253610929158E-7,-2.880997460399391E-6,29.54812437107372,-0.2928518201666224,-5.126213682265209,0.6720746408181162,-0.09073108521648818,-0.09995054224494303,-0.11014046843428928,-0.12146260864467259,-0.1341167653503951,49.12550285515337,-2.135452647281995,-11.237796024091697,0.7299342467960517,8.98843366687866E-4,3.197503200470445E-4,-3.2029988939541454E-4,-0.0010314667887787318,-0.001826300382205659,0.03198833601168723,8.594685051579234E-4,0.005629048837950852,2.1434799123472475E-5,-9.621646975160863E-4,-0.0010475792549306565,-0.0011419848183888645,-0.001246879888897984,-0.0013641155559375878,0.21864866649005724,-0.01424281318039346,-0.05126155038739223,0.0014377299029539306,-9.625771104816055E-5,-1.0251978508931569E-4,-1.0944102481901868E-4,-1.1713129118536628E-4,-1.257262947712784E-4,1.1988224261870597,-0.08525494434539699,-0.27702126273037325,0.00451535872925975,-0.0011634427164759899,-0.001244930477725,-0.0013349958980528116,-0.0014350685873058921,-0.0015469145341182977,0.5891973054135208,0.011125620251869747,0.07656528816597315,0.0013807726645564322,-0.01879356834311805,-0.02052863674485311,-0.02244634392571818,-0.024577129682234924,-0.02695859611598894,-0.4823604459688051,0.02129490040615275,-0.010030780385989235,-0.019675803947984873,0.0013166195133373693,3.33451967413261E-4,-1.3368374383043526E-4,-6.228800413287452E-4,-0.009911012167435953,-0.17348694008082424,0.022745086367513972,-0.0030706207973494864,-0.0033826357636016348,-0.003727494410511952,-0.004110670684856701,-0.0045389265208890675,-0.04346932902810951,-0.22875686498775102,0.014858560307225028,1.829687869736636E-5,6.508845741280835E-6,-6.520032789075347E-6,-2.0996564489528248E-5,-3.717621756647476E-5,0.026868184229523813,0.175971917885764,6.700817171496847E-4,-0.030078610439897555,-0.032748788638080895,-0.03570003822554665,-0.038979204433841924,-0.042644154901936626,-0.06514017857520817,-0.23444712108373772,0.00657552559562173,-4.402391864234751E-4,-4.6887907772342915E-4,-5.005336944234022E-4,-5.357054907567556E-4,-5.750151454822417E-4,-0.07111557348535465,-0.23107781159171267,0.0037664950459937348,-9.704879480578307E-4,-0.0010384611186200364,-0.0011135893597677025,-0.001197065183265073,-0.0012903616918798974,0.01888267334159203,0.12994846965947468,0.0023434809559886804,-0.031896901378270934,-0.03484170167826097,-0.03809648095719734,-0.04171290237823775,-0.04575478514292998,1.6020718959303433,1.0175644456359438,0.9875538357260516,1.1167064732320795,1.138124880821909,1.1832110556505138,1.2326665827602317,1.2879236711877136,1.339747740591576,1.3108589779671944,0.9464369372445853,0.9984466170206283,1.0034591667402581,1.008999353272481,1.0151551160860615,1.0220350862894751,1.500495178883472,1.4199103438704859,0.9588111810229574,0.9756422957069514,0.9741936210543732,0.9725924543331025,0.970813380198357,0.9688250032242298,0.7628963186727691,0.7401441994011355,0.9259109063493601,1.1560896607398723,1.2057677395132878,1.2606750897365362,1.3216832566512566,1.3898688549677092,1.5626895409896702,1.443474367770143,0.9660788188353295,0.9746920007528318,0.9729740758632536,0.9710753167747722,0.9689655844542376,0.966607648331287,1.5729893370983048,1.4422588278511348,0.9679637076443883,0.9766975466232279,0.9755478597302617,0.9742771531643515,0.9728652569800068,0.9712872553622103,0.605878504029204,0.5243615941811077,0.7966824505819972,1.1575330409960911,1.2107588906490363,1.269587461318081,1.3349525398392421,1.4080076275981865,432.39441452171025,216.44720726085512,338.85256410168853,432.8559529832486,16.6483058839711,216.44720726085512,0.5,0.05178821606519424,0.0019918544640459323,-7.697540876181473,278.68036777065095,10.718475683486576,14.638170273607516,432.4327181043725,216.4656246312848,338.88422256401776,432.8929007119391,16.649726950459197,216.4656246312848,0.49853115819712457,0.05169613919758964,0.00198831304606114,-7.702167660942133,278.80084305099933,10.72310934811536,14.639294027117774,466.3517782344535,232.77689463916875,367.3434415446115,465.61517304419255,17.908275886315096,232.77689463916875,-0.7979889561160007,0.020359700935093428,7.830654205805165E-4,-10.12491421825987,303.25354637390717,11.663597937457968,14.85788003000891,432.4729182509868,216.4849539257121,338.9174498412533,432.93167788215976,16.651218380083066,216.4849539257121,0.4969896004373311,0.05159953150985047,0.0019845973657634797,-7.707030983085981,278.92797206366475,10.727998925525567,14.640479317996414,502.31266160954044,250.07403654043102,398.27625454822305,500.31457989076046,19.242868457336936,250.07403654043102,-2.1645885286783653,0.07955400952326269,0.003059769597048565,-6.581429719574713,480.1897881423586,18.46883800547533,16.05287168606779,436.4049409683157,218.375604670036,342.17370077509923,436.7245733114755,16.79709897351829,218.375604670036,0.34626837175630953,0.0422887833823255,0.0016264916685509807,-8.224406830535383,295.62991714369264,11.370381428603563,14.791681819595391,437.1551545892157,218.6913178672536,341.54585981527833,438.06129012035115,16.84851115847504,218.6913178672536,1.177976190475988,0.09876506148640996,0.0037986562110157674,-6.019029550169331,276.130670035522,10.620410385981614,14.614272909174801,0,11.889999999999999,15.995926730170755,-0.31570481005880824,0.26153953095021343,4.349722077093759,7.618518478474061,25.0,73.0,72.0,72.0,24.0,1.0,1.0,0.0,0.0,1.0,55.34793599999998,3.590611845496579,3.5254320291559194,3.489503358066783,3.3877405187437954,3.311881492640748,3.1754907349415697,3.055054654625626,2.909793415300167,1.9470758640095032,1.9302735850702717,1.8714529870547492,1.8086655878981144,1.7485821101987993,1.6260901529044238,1.5827030479169055,1.4224560205753323,3.5752264958389617,3.5464029523312757,3.488190720717681,3.393235102985302,3.326861934890052,3.171161376029062,3.0826083841946708,2.9092281063356755,1.8920272497490225,1.8733448821501573,1.8187938900253664,1.7541727403897802,1.691224023950643,1.5762303022763111,1.51110143614375,1.3690522714786695,3.7076069668781666,3.674734732149749,3.6289499574026505,3.544445459149355,3.47485908989882,3.3479869652135843,3.2514743625555274,3.1093856609751858,1.716240977453469,1.6936833708123107,1.6309924814724546,1.5500286286331844,1.4857850847435725,1.3399266348762267,1.2762601487575036,1.102008528873015,3.591998412723678,3.565605766126699,3.501821428756122,3.4087245426359245,3.3439622223438525,3.182348695315431,3.1077013696627565,2.9230035057551293,1.861030682657206,1.837682625244092,1.7897687930383377,1.7213420052741581,1.6556525540439733,1.5452663513549951,1.4650244655157756,1.3341544321713261,3.7566410396002605,3.732324753716054,3.6792292718632886,3.602106488434362,3.5358037354884,3.408741681093018,3.3274161465704544,3.179666477811297,1.6637746714602528,1.6388329081331894,1.578837467155266,1.4931262873730375,1.427738313006619,1.2808617693616848,1.2043406955546432,1.0347832947123143,5.18588200207714,3.614644165010056,3.6046257396351358,3.523552547253596,3.501054763229635,3.3582590005364295,3.3106211852850524,3.1365182210106455,1.803706118927556,1.7811304037436821,1.7065195580310941,1.6227460943613274,1.5529535713386533,1.3900513160190588,1.352741140155362,1.1456955499827743,0,0,1,0,0,3,20,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.08333333333333333,0.08838834764831845,0.08333333333333333,19.133699455293673,12.808060412490448,9.046483015391093,6.1009536313038994,4.104809861103813,2.7546009608838813,1.8431891072560391,1.2293625530579066,0.7359115175112951,0.512322416499618,0.36185932061564374,0.25420640130432914,0.17846999396103533,0.12520913458563096,0.0877709098693352,0.06146812765289533,18.165738985845227,11.964690378025045,7.98087782054314,5.245394899343333,3.427669696382429,2.2247595222876324,1.4324502412466438,0.9134107974517991,0.6986822686863549,0.4785876151210018,0.31923511282172556,0.21855812080597223,0.14902911723401865,0.10112543283125602,0.06821191624984017,0.045670539872589955,38.4334654996947,71.96941005098338,68.10980392156851,69.04000000000006,44.12578682634737,568.987164071856,0.5193711554012796,0.9725595952835593,0.9204027556968718,0.9329729729729739,0.5962944165722618,7.689015730700757,8.371400000000005,114.64700000000009,223.5332953499809,350.5184117636565,447.06659069996186,17.19486887307545,223.5332953499809,0.020473583661687056,7.874455254495022E-4,-10.110411546736842,516.8428368801123,19.878570649235087,16.244120978106377,891,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,21.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.028302703628004,0.017472170273188814,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.386494309924421,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.524889820500025,0.0,26.09600197226545,0.0,0.0,0.0,0.0,0.0,0.0,0.017472170273188814,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.68826775796785,5.340034945660154,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.340034945660154,0.017472170273188814,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.21127551020408164,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2547895699516904,0.0,0.6190828402366864,0.0,0.0,0.0,0.0,0.0,0.0,0.017472170273188814,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.68826775796785,5.340034945660154,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.68826775796785,0.017472170273188814,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.270100250548335,0.0,1.4152160754108807,0.0,0.0,0.0,0.0,0.0,0.0,0.017472170273188814,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.68826775796785,5.340034945660154,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,47.66666666666667,1.8333333333333335,0.5559027777777779,11.68826775796785,-0.048194699643667294,0.017472170273188814,14.530561777079438,1.649194496393478,4.68826775796785,14.106385048256056,1.649194496393478,4.68826775796785,14.106385048256056,12.66666,0.48718,0.0,0.01282,0.46126,0.75897,0.43,0.46126,0.75897,0.03126,0.0,-0.03126,0.0,0.64189,0.0724,0.0,0.10526,0.03947,0.0,14.75,0.56731,13.25,0.50962,1.5,0.05769,-11.75,-0.45192,0.0,0.0,35.33833,1.35917,39.89382,4.55549,0.17521,11.75049,0.45194,12.80805,1.05757,0.04068,0.10595,0.00407,0.10595,0.00407,0.0,25.02,2,2,2,2,0,0,0.9583333333333334,1.0727330946570142,1.469063868466198,2.4049347244220445,3.117963626742561,3.5542096356610533,3.7856584288752146,79.38224900461904,108.71072626649865,177.9651696072313,230.72930837894953,263.01151303891794,280.1387237367659,0.17275805638462313,0.23658505539277816,0.3873021637836957,0.5021317406136514,0.5723868795495898,0.6096604976260689,5.136720270971937,4.740389497162753,3.8045186412069065,3.09148973888639,2.6552437299678977,2.4237949367537364,0.17275805638462313,0.23658505539277816,0.3873021637836957,0.5021317406136514,0.5723868795495898,0.6096604976260689,8.982608296450126,13.84654824756574,17.776533701991227,20.359297771689594,22.119873470982498,22.41349702933789,97.5644579671489,81.40054383496667,70.33444573667677,59.321656751900484,51.319449737061944,49.31049113319268,26.0,23.04,23.0,26,3,14,3.8799999999999994,3.5645999999999933,0.04166666666666667,4.55410943223214,0.16724840200141816,0.0,0.0,3.9491192418664762,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,12.339999999999998,25.0,24.0,23.0,22.0,21.0,20.0,19.0,18.0,17.0,240.0,3.295836866004329,3.332204510175204,3.295836866004329,3.258096538021482,3.2188758248682006,3.1780538303479458,3.1354942159291497,3.091042453358316,3.044522437723423,2.995732273553991,5.560681631015528,1.0791666666666666,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,22.0,0.88,24.0,0.96,2,12.0,24.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407407,0.060000000000000026,0.049586776859504134,0.06,0.02666666666666668,0.015625,0.010434782608695656,0.007575757575757578,0.005830903790087463,0.0046875,0.003898635477582846,0.003333333333333335,0.002916869227029655,0.15634513756739024,223.5332953499809,350.5184117636565,447.06659069996186,17.19486887307545,223.5332953499809,0.020473583661687056,7.874455254495022E-4,-10.110411546736842,516.8428368801123,19.878570649235087,16.244120978106377,26.3,438.60408442192545,5.700439718141093,4.61512051684126,5.293304824724492,5.988961416889864,6.678342114654332,7.3796321526095525,8.074337694089515,8.77909581088053,9.477232830220407,10.184635826136912,117.47066318704685,3.9318256327243257,0.0,5.017279836814924,0.0,6.2285110035911835,0.0,7.499423290592229,0.0,8.805525052709516,9.127936545721367,368.36543077600135,4.977911226702721,50.64826252131864,1.948010096973794,5.496678758255237,5.496678758255237,0.0,2782.0,24.0,11.517000000000001,100.0,1.2447123287671227,2.148188002918505,2.8702098049909197,3.6289027924173847,4.945002725494585,5.957056907856675,7.256384765553166,8.351280588685158,9.630719805676978,10.758952469988612,85.440636142685,83.52730387930458,83.15416885842984,113.73574660609019,143.98623643865466,174.9087798638197,206.4581971410195,238.64994552623526,271.54081290222325,305.28049143608035,294.6478512405817,340.5159236161154,353.6959659967317,482.33401861222416,616.5360733395395,749.896876530126,886.899921268216,1022.780275278042,1160.534340856805,1297.3098665550547,9.21113846400001,15.620445997269679,20.4808843562522,26.162108792273955,35.559971514378596,42.93289916327147,52.2858726644103,60.28973338932696,69.58973139246766,77.91147891765058,2.1668978676361657,2.760348819714768,2.9822634052307433,4.01022715817569,5.1814540684351105,6.293832306625033,7.474419700968206,8.608104708950785,9.776883490019523,10.905546439297307,178.52623320222833,331.7689097239966,471.00510685523045,585.1968881595739,808.0779646066424,970.3283190297493,1189.1324183585307,1367.4646129688742,1582.56563170528,1767.937357088528,2.6130490867579903,4.0999110567504085,4.702734980454732,6.379186926290758,8.613675919931165,10.519875421306018,12.854944810331585,14.994445741949724,17.460399723429592,19.910129099143443,0.4596719178082187,0.5995677943152441,0.6555889196496468,0.8836148842634682,1.1478678779757205,1.396817905432935,1.6655521521332803,1.923296174758289,2.193115605851243,2.4547863947991515,944.4823939893158,1598.6631084474848,27.211511022695948,244.18407691015886,-413.3142956511163,-22.995848813941112,700.298317079157,2011.977404098601,50.20735983663706,0.7945730927150804,1.3449215129604535,0.02289246957736155,0.20542690728491947,-0.3477125886611049,-0.01934592198645928,1122.6745540899674,1900.2772352754562,32.34541077519015,290.2534249506445,-491.29284518391466,-27.33439445500526,0.15446309166642044,0.18646040884370982,0.8743780679677938,1.7842207309229203,1143.961190196118,44.70528070335706,0.9623903914194467,0.037609608580553434,1703.4528352599643,41.2729067944089,11.942906652669379,2168.4305671857705,46.56641028880979,12.943403998582163,3112.3919306648318,55.788815462105234,14.600400205869692,5.6412925432090635,5.6412925432090635,28039.060245795823,27907.313642596328,208.40219499333034,1.004720862956813,134.54301787317152,133.9108431343032,9.654084464920935,15.542959551267757,30.755728069315495,0.9787562315831231,13.400452622500264,21.36633991943031,8.578095195096804,99.93886008437545,37.697853700079406,1.7336647561100025,19.758062930575058,14.94157867657312,75.10860350162326,1.6929451281357362,7.6641222113648215,64.69175155448941,8.523335338854244,68.0134250193891,2.708160293854375,18.542913667722956,28.42380761562716,10.279528017990595,44.989949673723345,4.287105564753979,40.55046929639778,11.239504247048162,16.726490557229216,20.387901343896957,4.193684932945816,57.197663386294224,3.917771221701153,18.200553883146785,4.273734265537784,3.4946370635428172,1.1411146509737395,21.516547154703282,0.684614635444191,21.699330930451598,0.3468673664505076,1.6893754482325956,2.8796483448042824,0.7199400405277094,20.385092993078416,0.04899424929854149,4.87155663734189,5.773762282870784,0.6523366578563673,15.406174813987798,0.11439588568935528,7.155292180782442,1.4243420618647658,1.1903504898316422,9.370916245841224,0.18628018256598244,8.92406406478092,0.47918639080400965,2.285587175161965,4.084384423075668,0.2706784674106672,8.700350240378139,0.1655442325791864,3.612909935439025,1.1965146780509892,0.16255145951927993,3.636239758359361,21.23551670992113,1.9872866467415147,26.99868972225147,2.8686392587284075,1.516834923026174,5.744106663939908,2.1594396952230728,25.85188702838288,0.21949438612916672,4.7367821360982,14.468717840528852,1.3956442995532874,22.41729363933859,0.4436644898635836,8.740142041578073,4.395397340448778,2.0100252185922973,14.415763043438194,0.7156633331775897,13.704620629442692,1.4230579477257956,3.6763573342274354,6.311894745684574,0.7349928669703757,15.63413147889214,0.6026390229710086,5.342916305948513,1.7400187127731197,0.6108657585439125,12.654049260984273,21.516820989619962,8.545047219734574,93.16419073015723,33.85502012155711,1.8157458175579286,19.61316765131353,14.162990971709222,73.11388349331179,1.533909003321322,7.6212185084800925,60.64726707811244,7.737689141888617,65.48419759788284,2.4785569620593435,18.175602118448598,27.03381156484043,9.357695099590066,43.1470831127479,3.9272080134677014,38.88203414696316,11.069767830992648,15.59794194422302,19.541678228426697,4.28103834814471,54.14446570437489,3.6561114361236573,16.893436259715774,4.141674058370884,3.2086334821169804,5.351566623421453,21.128781187849498,2.8313933777087104,33.47481499668167,6.051670307581292,1.4599848603816938,7.639270929191285,3.4276094143011884,30.766526445422294,0.3855486850392977,4.87250105918096,21.448010173475453,2.161975188600934,28.056618557899053,0.7291328709571416,10.065718331940834,6.913310484438683,2.880246404600926,18.390104833599842,1.170425643589861,17.474161613471637,2.2079953825694214,5.016251092256253,8.109388992601039,1.040413489142398,21.186297239460963,0.979072908575517,6.895026512247938,2.129389223314332,0.9874562026548602,16.18301026478007,21.46215986139766,11.039161224972826,135.80182875038835,54.960931735160266,1.8608543372574076,24.687589706990888,20.826489061871346,96.49132043372431,2.3480870323322476,9.015477909611894,82.87178987625582,11.784715171734028,85.66405189593974,3.6386831244231055,21.685027910872087,39.09502679095663,14.111005113032665,56.4707753105697,5.743232889382097,49.743093192519034,16.05500012238665,22.740535816430935,25.70364859148232,5.773727236280432,72.71611361745806,5.35205003499748,23.644454143642314,5.0718579845130085,4.646702248766266,8.786511979601716,21.329995590014764,6.557656225318601,63.64784923200667,17.53703977203931,1.9898916207777348,15.870032037892813,11.471003350866939,65.40770628075127,0.8064560147548676,6.797235553674173,42.66722114147169,4.166365282546309,55.03988424734106,1.387751666562076,14.814638291148201,22.464864047985646,5.162432499061083,35.88233726754822,2.2109240994870567,28.22362709618243,11.840062857752843,9.535304533111272,16.82015382127225,3.3828298918976705,37.17539136783546,2.64563723515336,10.926930818466511,4.150283682124298,1.8312525538049425,85.49360261090983,0.863046927008269,0.5139217337837838,0.9841491929817594,0.009934859577577185,0.5714464366598696,0.6337446584758537,0.6216139269378782,86.87057127170189,118.16555006649732,242.95583184641606,0.9762237894726392,1.8268050220736016,75.67938436313187,0.4671775844460271,0.10398715832099112,0.992509368791905,0.006126875018266397,0.4477841915394331,0.18562103225502918,0.025449906307090854,76.2505491058989,43.27397657197233,123.20106569699642,0.9887640531878574,0.6588551301015532,81.58573728073236,0.5886715276224166,0.2680713796271121,0.9896079920776762,0.007140390806780103,0.5204008567757489,0.29483462785571923,0.16913273278488383,82.44248018798189,70.05580773654783,165.37300584826255,0.9844119881165143,0.9843682174163519,84.5346366791207,0.8595956346600921,0.4987871147489216,0.9841851787438989,0.01000774731612909,0.5586993764664937,0.6286826944341335,0.5855408768075704,85.89301942852971,115.2591474189389,237.3968341407819,0.9762777681158484,1.7729229477081976,83.74087291035556,0.6558449030194744,0.34412070374890524,0.9881997201789984,0.00773941955845699,0.5482560918602409,0.3659716280893263,0.2787073179278587,84.74083851712393,83.96368260069465,187.60398277878474,0.9822995802684975,1.192935037877426,85.7529933683137,0.9010602819175055,0.5442506407947679,0.9834250111345224,0.010333461060322915,0.5749192711812885,0.6908013588446926,0.6971474855505121,87.19830429102598,124.43014060632525,253.68193887534045,0.9751375167017837,1.962868115576493,84.78540565126224,0.8677431648785721,0.5015198789658906,0.9841069199779507,0.010071922717844042,0.5620192306142323,0.6406542869850691,0.5919745979721346,86.15466869510671,116.52871306265821,239.58118034419635,0.9761603799669263,1.794648115571436 +UMLCN0360,L,decyl oleate,CCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC,Esters,Olefins,C28H54O2,BioCompoundML (2016),Unknown,PubChem,,134,0,-4.4350999999999985,19.670112009999986,101.89309999999999,86.89082199999991,0,0,84,30,54,0,28,0,2,0,0,0.0,0.0,0.0,0.0,0.0,4606.198846000022,4981.141865000002,5711.491633000009,5564.381292000034,5394.79822700003,5198.041498000029,5001.284769000028,4804.528040000027,4607.771311000027,13969.777002180219,18115.405235718055,24251.619313724823,25667.770582668887,24669.580776810057,23662.78243185494,22655.98408689982,21649.1857419447,20642.38739698958,600.6349359999998,610.5071960000002,1157.5072599999996,1598.6833440000023,1521.148460000002,1458.263560000002,1395.378660000002,1332.4937600000019,1269.6088600000019,103.3847048618457,136.66081273999993,199.70146521262154,223.30018482635415,213.12512741471303,204.10359855531695,195.08206969592084,186.06054083652475,177.03901197712867,13906.697751434445,12025.300820081591,24860.575406682958,37098.07525136147,35064.900389593946,33585.94523455535,32106.990079516752,30628.034924478157,29149.07976943957,185.77777777777777,171.25,298.08333333333337,363.1666666666667,359.9166666666667,347.6666666666667,335.4166666666667,323.1666666666667,311.25,54.83570054761931,60.01375740963858,35.69682270625005,24.73058352000015,25.32769120657291,25.48059557843151,25.647614200000145,25.83079591397864,26.032606276836308,166.30686907357403,218.25789440624163,151.57262071078014,114.07898036741727,115.81962806014111,115.99403152870069,116.18453377897345,116.39347173088548,116.62365761011061,7.1504159047619025,7.355508385542172,7.234420374999997,7.105259306666677,7.141542065727709,7.148350784313735,7.15578800000001,7.163944946236569,7.1729314124293895,1.2307702959743536,1.6465158161445774,1.2481341575788847,0.9924452658949073,1.0005874526512348,1.0005078360554753,1.0004208702354915,1.0003254883684127,1.0002204066504445,165.55592561231484,144.8831424106216,155.37859629176847,164.88033445049544,164.6239454910514,164.6369864438988,164.65123117700898,164.66685443267826,164.68406649400887,2.2116402116402116,2.0632530120481927,1.8630208333333336,1.6140740740740742,1.6897496087636934,1.704248366013072,1.7200854700854702,1.7374551971326166,1.7584745762711864,0.3698969810185612,-0.16274757980409285,-3.2246437519783586E-4,-0.009575817644701654,-0.016659521615230613,0.0018161063711049927,0.002610905207408788,0.0017051372483255839,-0.020891518065292228,2478.7296002380904,-20.868254830493,-859.7731075487452,141.18584762415205,-29.21824934183361,-30.36483138775206,-31.511413433670693,-32.65799547958912,-33.80457752550754,4182.548559418671,-153.18577162722195,-1833.7684127610746,170.24681106382195,-7.239150081125956,-7.664901408391927,-8.090652735657898,-8.516404062923868,-8.942155390190976,2.426615809523813,0.06427409297048456,0.7757805532879456,0.007836700680278749,-0.17826789795919407,-0.18402220408164505,-0.18977651020409614,-0.19553081632654712,-0.2012851224489982,18.64142385046878,-1.020732167087788,-8.317360076938618,0.4367991359856673,0.003443344492213646,0.003350074426660049,0.003256804361104676,0.0031635342955510792,0.003070264229999259,102.11091270661164,-6.107466336490625,-44.929804505876874,1.7873329935817743,-0.0022464647889588463,-0.0022484261892170565,-0.0022503875894681613,-0.0022523489897263715,-0.0022543103899774763,45.201058201058316,0.9706475182665628,10.009889140841553,-0.25680272108843094,-4.184429327286437,-4.3295540438397255,-4.474678760393016,-4.619803476946306,-4.431594860166266,0.004403535488316205,-0.001960814214507143,-2.0154023449864743E-6,-4.255918953200735E-5,-7.82137165034301E-5,8.902482211298985E-6,1.338925747389122E-5,9.167404560890236E-6,-1.1803117551012558E-4,29.508685717120123,-0.25142475699389155,-5.373581922179658,0.6274926561073424,-0.1371748795391249,-0.1488472126850591,-0.16159699196754201,-0.17558062085800602,-0.19098631370343244,49.79224475498418,-1.8456117063520718,-11.461052579756716,0.7566524936169865,-0.03398662009918289,-0.03757304611956827,-0.04149052684952768,-0.045787118617870264,-0.05052065192198291,0.028888283446712057,7.743866622949947E-4,0.00484862845804966,3.4829780801238885E-5,-8.369384880713336E-4,-9.020696278512012E-4,-9.732128728415187E-4,-0.0010512409479921888,-0.0011372040816327582,0.2219217125055807,-0.012297977916720338,-0.05198350048086636,0.0019413294932696323,1.6165936583162657E-5,1.6421933464019847E-5,1.6701560826177824E-5,1.7008248900812254E-5,1.734612559321615E-5,1.2156061036501387,-0.07358393176494729,-0.28081127816173046,0.007943702193696774,-1.0546783046755147E-5,-1.1021697005965963E-5,-1.1540449176759802E-5,-1.210940317057189E-5,-1.2736216892528116E-5,0.5381078357268847,0.011694548412850154,0.0625618071302597,-0.0011413454270596932,-0.019645208109325994,-0.021223304136469244,-0.02294707056611803,-0.024837653101861857,-0.02503725909698455,-0.4452818013411551,-4.576782338495722E-4,-0.00966477723295943,-0.017761572879553867,0.002021666961676527,0.0030405699033007943,0.0020818282457843,-0.02680372982647576,-0.008520364458252435,-0.18210170299323275,0.021264676513304978,-0.0046486272162077295,-0.005044183062300944,-0.005476251755725871,-0.005950133548514464,-0.006472206710061217,-0.037066248276893095,-0.23017746310000353,0.015196191642700462,-6.825685458935018E-4,-7.545963493804369E-4,-8.332728731892428E-4,-9.195632541408367E-4,-0.0010146289280706874,0.0268062539514833,0.16784065647214874,0.0012056715265026613,-0.028971554838665585,-0.031226141543341544,-0.033688843943833764,-0.03638987238308328,-0.03936558168056157,-0.055415839116738426,-0.23424251684953595,0.008747812331435633,7.284522276186081E-5,7.399876865859568E-5,7.525879571498813E-5,7.664076087365514E-5,7.816326486206231E-5,-0.06053271001518872,-0.23100515645531033,0.006534766623698228,-8.676151769134747E-6,-9.066832564323894E-6,-9.49357620211591E-6,-9.961617611338577E-6,-1.0477256451974597E-5,0.02173272276745974,0.11626258340161542,-0.0021210347653048862,-0.03650793912485763,-0.03944061529563208,-0.0426440000360165,-0.04615738975127682,-0.04652833026146854,1.5682876451628924,1.0473546300158811,0.997653245703428,1.1201326377858798,1.1375515085408672,1.174564824427532,1.2179433785981364,1.2950775642255554,1.3283572595751203,1.3188625938433318,0.9518789681277016,1.0027702619637604,1.0072661795991615,1.012177105016292,1.0175632812802415,1.023497204282898,1.4656406465138787,1.412855306572852,0.9613690735598313,0.9813567140246918,0.980852750680798,0.9803022676436218,0.9796985120544607,0.9790333575918256,0.7735167605160933,0.7589742338987802,0.9344706758506371,1.160611872022528,1.2038625684836928,1.2511056369258884,1.302920615217329,1.3600049133350174,1.5183170512058932,1.4322871142439557,0.9669460406524483,0.9797283910222965,0.9790198063564187,0.9782458138752297,0.977396918895861,0.9764616956135054,1.5272130671276958,1.4310305202502862,0.9684159683682937,0.9812508779500021,0.9809753364682029,0.9806743603880841,0.9803442575905346,0.979980585016963,0.6231417534823817,0.5591606432166671,0.8174669319911017,1.1695614398082248,1.2166591499060087,1.2681043409358956,1.3245280988396426,1.3832317865553483,570.5887831901831,285.5443915950914,448.62679407477526,571.0554498568495,19.03518166189498,285.5443915950914,0.49999999999965894,0.045001970955610926,0.0015000656985203642,-9.30314697347217,481.4560246588971,16.04853415529657,18.530444691537863,570.6311408095484,285.5648359838725,448.66062925739925,571.0964365571983,19.036547885239948,285.5648359838725,0.4985311581966698,0.044887086209820515,0.0014962362069940172,-9.310815413567116,483.26726346936636,16.108908782312213,18.541709523397344,608.1407999290145,303.6714054864489,479.13642412661784,607.3960102366389,20.246533674554634,303.6714054864489,-0.797988956116626,0.04884116501530694,0.0016280388338435648,-9.057545328935596,346.22527238759966,11.54084241291999,17.54126891839279,570.6755957248931,285.5862926626652,448.6961412558311,571.1394526853011,19.037981756176706,285.5862926626652,0.4969896004372458,0.044766535594548906,0.0014922178531516302,-9.318883176062247,485.2070807640019,16.173569358800062,18.55372731137664,647.9115345110343,322.8734729911777,512.4200068275741,645.8912518842674,21.52970839614224,322.8734729911777,-2.1645885286789053,0.13204996258448468,0.0044016654194828225,-6.073724770747749,368.82281354460156,12.294093784820053,17.730949045863646,575.023785143729,287.68502675774266,452.1769811255141,575.3469689573683,19.178232298578944,287.68502675774266,0.34626837175630953,0.0330865840598194,0.0011028861353273133,-10.225882182524776,665.8396674318564,22.194655581061877,19.503146705898466,583.4493315630193,291.80502888625074,457.41684744272516,584.2783565063298,19.475945216877655,291.80502888625074,1.0362811791379727,0.0415352131631313,0.00138450710543771,-9.543641104714743,374.41219038215024,12.480406346071675,17.776071911564287,0,11.89,15.995928758055431,-0.3157176010562223,0.26155458396859815,4.350524040490521,7.80484041013966,29.0,83.0,81.0,81.0,27.0,2.0,2.0,0.0,0.0,2.0,61.90717799999998,3.597302614366333,3.5613164007015095,3.5028930147338944,3.4514286490484283,3.360338396100386,3.2884187017111937,3.1606092751694974,3.060524036096869,1.9469734069932803,1.9306006441154737,1.9044998632786247,1.8199233778252402,1.8021618324487427,1.71327590458836,1.621075786659866,1.5692765013209442,3.6043814928260383,3.5518132293122355,3.521384059625078,3.4520772954646453,3.380219538678122,3.2903173440546687,3.167116097498698,3.088596652649911,1.8939439539410767,1.8750146397427279,1.8479149190939488,1.7750680731468302,1.7391654246500967,1.6582726476693572,1.5653191210767978,1.5019357883269886,3.7170038434636288,3.6861319950184086,3.650685392221953,3.591689814918425,3.521643716065769,3.4449905967373113,3.3343454665659373,3.2522190633787003,1.7322835256031264,1.6952857534823378,1.667022830995003,1.587796200380259,1.5418160898614413,1.4478584973132635,1.3341983366376715,1.2766324949193666,3.6213117933221035,3.5682301903566684,3.539273844963135,3.463975381574265,3.399954382403381,3.3045849819195885,3.1805944701847415,3.113457234521561,1.863079322039541,1.8420549757942837,1.8130298748269427,1.750718481609447,1.6991025613559894,1.6255903957308997,1.5303485114959976,1.4583629210970601,3.7662876721437453,3.7370049260094267,3.707075840260442,3.639563605641732,3.5848942349882664,3.50266379505014,3.397289516159686,3.325736364974959,1.6839156035107226,1.641996616288586,1.6128236864447056,1.5392399249199342,1.481799116971354,1.3906651260053662,1.2747257583992075,1.207066714562346,5.115470000416691,3.716680590818855,3.5941910125978564,3.5450621646643343,3.499551353584747,3.4675232037382933,3.3168318633484652,3.2901747643804145,1.8010604039478892,1.7968348181818343,1.7676329265440718,1.641346230842301,1.6223635984310671,1.5295782146641745,1.401990029566845,1.333742990390767,0,0,1,2,0,3,22,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.08333333333333333,0.08838834764831845,0.08333333333333333,21.962126580039858,14.808060412490448,10.460696577764185,7.1009536313039,4.8119166422903605,3.2546009608838817,2.1967424978493124,1.4793625530579066,0.7320708860013286,0.5106227728444982,0.3607136750953167,0.2536054868322822,0.17821913489964297,0.12517696003399545,0.08786969991397249,0.061640106377412775,20.734653086597568,13.614520292286105,9.029632610523796,5.9036431898071955,3.834195961175,2.470550334186231,1.57678780854405,0.9946395367344315,0.6911551028865855,0.46946621697538293,0.31136664174219986,0.21084439963597126,0.14200725782129628,0.09502116669947042,0.063071512341762,0.041443314030601315,44.05894891105239,81.63292061179915,77.28627450980376,78.32000000000002,50.52145029940127,644.814623952095,0.5245112965601475,0.9718204834737995,0.9200746965452828,0.9323809523809526,0.6014458368976342,7.676364570858273,9.633989999999997,132.7510000000001,299.78587484519073,471.6121927955022,599.5717496903815,19.985724989679387,299.78587484519073,0.04611190914801405,0.001537063638267135,-9.230052088239056,591.4538380965787,19.715127936552623,19.147750914812548,1211,0.0,0.0,2.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,25.0,3.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,23.0,0.0,2.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.11088480567031,4.756722644335546,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4960829644091029,0.0,0.0,7.209168685862852,1.149423368788899,0.0,0.4960829644091029,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.529116202640706,0.0,28.2699430140201,0.0,4.7469326160685785,0.0,0.0,0.0,0.0,0.009790028266967177,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.752698989808065,5.358185815862243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.358185815862243,0.009790028266967177,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24697928842590744,0.0,0.0,0.21259071167196744,0.30796889348025713,0.0,0.24697928842590744,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2552690542323144,0.0,0.6063259768059419,0.0,2.3696578743710575,0.0,0.0,0.0,0.0,0.009790028266967177,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.752698989808065,5.358185815862243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.752698989808065,2.377274741697521,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24910367598319544,0.0,0.0,0.5597050045913683,0.5194926697530864,0.0,0.24910367598319544,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2738471484083913,0.0,1.413879768767303,0.0,2.377274741697521,0.0,0.0,0.0,0.0,0.009790028266967177,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.752698989808065,5.358185815862243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,54.66666666666667,1.8222222222222224,0.5597050045913683,11.752698989808065,-0.05685154440922435,0.009790028266967177,16.91045147081203,1.6568766383996996,4.752698989808065,15.773867248759183,1.6568766383996996,4.752698989808065,15.773867248759183,14.66666,0.48889,0.0,0.01111,0.46111,0.75111,0.43043,0.45736,0.75111,0.03068,0.00375,-0.02693,0.0,0.65089,0.0634,0.0,0.09091,0.03409,0.0,17.75,0.59167,15.25,0.50833,2.5,0.08333,-12.75,-0.425,0.0,0.0,41.27564,1.37585,47.84489,6.56926,0.21898,13.20759,0.44025,14.80805,1.60046,0.05335,0.10595,0.00353,0.10595,0.00353,0.0,29.02,2,2,2,2,0,0,0.8928571428571429,1.0664857211782814,1.7745986656248511,2.87682457328462,3.7775870104348446,4.3263436148462135,4.5000025017881695,89.58480057897565,149.0662879124875,241.65326415590806,317.31730887652697,363.41286364708196,378.0002101502062,0.16683866751952953,0.2776142904451431,0.4500440736927697,0.5909573571821651,0.6768036267143848,0.7039704389135302,5.325831701600478,4.6177187571539084,3.51549284949414,2.6147304123439152,2.0659738079325463,1.8923149209905903,0.16639423804923115,0.2768747737978086,0.44884523380597435,0.5893831485821674,0.675000738440409,0.7020951829316672,8.806396150387364,15.783926970880074,20.637993739960447,23.960711168919268,25.93968205244887,25.311000481954213,112.94004058851704,86.12581448301968,68.24146965049982,50.98428000298911,41.76495081273001,43.79639746237319,30.0,27.03448275862069,27.0,30,3,18,4.32,4.0851999999999915,0.03571428571428571,4.656214456916952,0.1462544848254261,0.0,0.0,4.006126913926392,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.446,0.43,0.658,0.21600000000000003,14.276,29.0,28.0,27.0,26.0,25.0,24.0,23.0,22.0,21.0,284.0,3.4657359027997265,3.5263605246161616,3.5263605246161616,3.5263605246161616,3.5263605246161616,3.5263605246161616,3.5263605246161616,3.5263605246161616,3.5263605246161616,3.5553480614894135,5.886104031450156,1.2640845070422535,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,25.0,0.8620689655172413,27.0,0.9310344827586207,2,14.0,28.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407406,0.060000000000000026,0.049586776859504134,0.05172413793103448,0.022988505747126447,0.013392857142857142,0.008888888888888892,0.006410256410256412,0.004897959183673469,0.00390625,0.0032206119162640893,0.0027272727272727284,0.0023612750885478157,0.13580919349463258,299.78587484519073,471.6121927955022,599.5717496903815,19.985724989679387,299.78587484519073,0.04611190914801405,0.001537063638267135,-9.230052088239056,591.4538380965787,19.715127936552623,19.147750914812548,26.3,505.15156422459256,5.906890595608519,4.762173934797756,5.442417710521793,6.137727054086234,6.827629234502852,7.527793987721444,8.222285073872717,8.925454386826402,9.622913491543725,10.3283957461889,126.79679062006181,4.07753744390572,0.0,5.1647859739235145,0.0,6.375024819828097,0.0,7.643482907077201,0.0,8.946244609330543,9.269834943761822,422.4123809680015,5.0287188210476375,58.64825946285235,1.9549419820950784,5.496732706221333,5.496732706221333,0.0,4308.0,28.0,13.277000000000005,116.0,1.2356174233044503,2.142613617075027,2.8854505420479235,3.659969787890463,4.994280441468227,6.0205881270296135,7.33837810819504,8.450264061004994,9.749882853750032,10.89791044318325,86.32232650694709,85.57000785845233,86.19637324376271,118.27061911252538,149.80617466219132,182.02655140027906,214.954306011464,248.52881003559307,282.86703633159186,315.61045623428987,297.20637326996615,348.32301501542895,365.1287205955962,500.30757381903913,640.4341269952948,780.1907865641803,924.1514958281244,1067.6010056721914,1213.6681239199136,1358.360793273123,9.136658544007174,15.569265105191116,20.5750416308866,26.3578537437422,35.86125343547765,43.31392165919969,52.76444366117059,60.851282665513104,70.2424786983615,78.29532930300921,2.1806986374400714,2.8120298626873237,3.0644947264668523,4.142992365206463,5.362111031005243,6.525651264401954,7.763393969882558,8.95971563961945,10.19884066094028,11.44936991295234,176.73675538967518,329.33452599342445,471.6157851681623,587.3269098528061,812.3064280405503,975.7447473220528,1196.389412512264,1376.071422014688,1592.9167463848341,1776.523535836331,2.635176334499044,4.124602406062005,4.788115006968436,6.50829589338206,8.763897063536222,10.701225236009831,13.049242287751875,15.221392825957317,17.838641802160527,19.517430170935878,0.46101021766732747,0.6080169311944787,0.6702856651630754,0.9075138714397857,1.1801060091974036,1.4378201655029472,1.7161104519236572,1.984093730328673,2.265078684844661,2.5359677461443337,999.5523533617958,1930.5774236579507,29.811243279780886,165.11363411749954,-318.907412196332,-19.360392022916134,834.4387192442962,2249.4848358542827,49.17163530269702,0.8582309126457299,1.6576232537161402,0.02559638866444604,0.14176908735427018,-0.27381877347216804,-0.016623128202462693,1164.1446286653693,2248.4778615298205,34.720141092431504,192.30223372575264,-371.4206161401076,-22.548390093355888,0.1353649204667481,0.16340601590336548,0.6896411609806862,1.8707543598473724,1118.3339099238467,46.33207755544837,0.9602185707717578,0.03978142922824218,1962.9898295924245,44.305641058362134,12.521009637623312,2502.183728441702,50.02183251782867,13.576038633575092,3569.841049050625,59.74814682524158,15.283270262223397,6.360217580268691,6.360217580268691,44693.2669371471,44562.58924651038,209.4567339949208,1.0029324528230135,213.3770831079171,212.7531944023867,10.543125752827843,18.341050348330654,36.55721990482865,0.9931911864663724,21.386881140460478,24.84487302463519,10.81164593222998,115.43786886366215,57.74104947579847,1.6725838079209026,25.690643075530826,14.550676274748303,89.94321182556774,1.0668452295361235,3.4769667692580586,73.80471619964234,4.289174744735006,100.86599448203886,0.019008616217964888,5.826962460250983,54.89137093701529,0.3313268711673979,92.62173614999193,3.6490594814028666E-4,5.091712125560284,38.23535045609533,0.585646063235893,84.22859640234451,1.9012232469221323E-5,6.654696048064335,20.23060469521553,2.504151959613193,64.79902784101427,0.00885069003740066,1.8020839745006154,25.10478373534588,0.9262725781961669,26.706757694204132,0.4690008299424952,0.2398973167008446,4.430781211852315,0.24958888321046288,25.6356514567393,0.007528314935348635,0.6712494863851391,7.76873111633643,0.08064376181928258,23.399257971067954,1.348157108084439E-4,1.2369468142738953,3.7313792233040504,0.02458272979088892,18.66658115061405,2.973625257447052E-6,1.9932040366098163,1.1894699876769748,0.04722619148794626,12.948128025995404,1.4152395435337307E-6,3.542007210130734,0.5154777013784336,0.16958452351818618,8.000686857388798,5.97104648254939E-4,5.796579560588834,24.582365525799705,2.816889404444206,31.95694273355613,4.320987785409019,0.5232620609531344,8.39295929254388,1.2543705725033423,32.36264178199896,0.0783371164788099,0.9780489559662392,18.510350389616672,0.4028516547474581,32.73333104494872,0.0013975266904825382,1.6316297207173358,9.321981482866985,0.0813010543754873,27.276745153090733,2.7818548524863948E-5,2.2772818244664785,4.556809967385728,0.15345119968529206,21.37505836096036,3.5938700423610855E-6,3.8761291667900575,2.0515913011930493,0.5386303212044745,15.26993085497852,0.0020235143097762495,20.18970943935035,25.12312303875929,10.532931502642418,106.71887202161732,51.62030207800801,1.5877672177162911,25.36414408485063,13.397435009435746,86.98736789412403,0.9505497835685717,3.2243837523305725,70.16574871932224,3.9377077579285324,98.04787681542186,0.01693697883348491,5.373758373893937,50.9943000939687,0.31052061259608804,89.36985258928947,3.2540241263787463E-4,4.851618543494436,35.314821121601796,0.5513842776802866,80.68439851694238,1.9973753785280122E-5,6.4865872973639105,18.90417665965137,2.401399021309704,60.44462242286298,0.008254025306748191,8.539769937009911,24.385177726315206,4.058437616188746,39.3095446244899,9.253028827154264,0.7207925549197697,10.964042814084989,2.412411470828674,38.43374574041803,0.17012345458069003,1.268292515901611,26.60578449395081,0.759073437701646,40.46412375215498,0.003033313511213615,2.064545973350623,14.52173382939224,0.12197202731476828,34.68731090762643,5.943277338991161E-5,2.5706033736629577,7.915519797344922,0.2274633141575903,28.55076079467546,4.86538446572923E-6,4.190677041543776,3.655228401913071,0.8040599672177741,21.446043910267203,0.003079401293587732,25.827764112025278,25.03270328933322,13.36536768986217,156.62932681128066,84.17647360705826,2.004934589566878,31.33801595604439,21.165681367306085,114.39035023270993,1.5558469788898877,4.550824123414357,92.50210813924994,6.186669011858817,128.20754476645325,0.027719232383976545,7.770097403467306,74.2081930770956,0.410959484042724,118.95823510217399,5.308652530525404E-4,6.3410325618426935,53.96187387984934,0.7139825936351228,109.95066125736666,2.60734539005867E-5,7.763868405599824,29.1372757058823,3.2374210816789026,84.89874763075277,0.011163633080413925,13.598852416208107,24.856043986911715,7.763156899245643,67.62219832369432,24.34814589501047,1.058957934817104,20.378376099168342,8.68251365765398,71.87412435601587,0.42881244669640867,1.9400153887621157,51.23296610780463,2.4498952125711035,83.1757762900514,0.007642175156459001,3.151935535921961,34.034057143262096,0.1914783818135948,73.16023967186524,1.4800544178643127E-4,3.504410546206146,22.827503237779638,0.44561791477030593,61.67335906065721,1.6360307782291064E-5,5.637915193888705,13.768231178548664,1.95191791377808,38.75296723504623,0.004954978324965,117.52356637106142,0.8541789126957164,0.46528202840975497,0.9888974475747776,0.0071874550153626674,0.5707938415561423,0.6870299464022513,0.5951982779109483,118.8430273121669,155.4651895831559,321.0160893867866,0.9833461713621665,1.8530220658693421,105.43687819828496,0.4043759540558953,0.09319332559614019,0.9953030455012694,0.0038172281413948457,0.45942898099274104,0.15385980958142748,0.023878042954887588,105.934447477937,52.499836673829634,162.4076876625159,0.992954568251904,0.6371668335290561,112.29330006124715,0.5574116453858372,0.24032155410327632,0.9929460968169783,0.004928875696985636,0.5211200073460783,0.29256105097228063,0.15878685880164928,113.09103326073627,89.71405157194414,217.8476744161044,0.9894191452254676,0.9724679171200081,116.45638921357495,0.8456262632990085,0.4519232592416557,0.9889808397369327,0.007181299176701352,0.5604751469910814,0.6733369715798857,0.5615112958960841,117.75393873611561,151.49009039789436,313.7487905370869,0.983471259605399,1.7953234144670511,114.87467050492081,0.6360252010670981,0.30888322007558544,0.9918415484678468,0.0054915171248647145,0.5453532869953694,0.38091390825286114,0.26231174827835313,115.8195789260635,108.74250104824556,247.1300719513113,0.9877623227017701,1.1885789435265837,117.94610391622517,0.8942870035694762,0.4935525497121321,0.9883701190714758,0.007493986853773856,0.5749056437805612,0.7530641685771505,0.6697240722682382,119.33394346950678,164.13164580118624,335.5243611776921,0.9825551786072138,1.9976938846259498,116.69683127994327,0.8511682692288427,0.4542056667989069,0.9889377157516792,0.007213155615787096,0.5627922057509634,0.6821811001713094,0.5671973671912521,118.00220521597102,152.71960742114888,315.8374437574169,0.9834065736275189,1.812170673113525 +UMLCN0361,L,decyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC,Esters,,C26H52O2,BioCompoundML (2016),Unknown,PubChem,,91,0,-5.990099999999996,35.88129800999996,88.4941,82.03723599999992,0,0,80,28,52,0,26,0,2,0,0,0.0,0.0,0.0,0.0,0.0,4315.63847600002,4668.399447000002,5374.535039000009,5226.408634000033,5057.841633000031,4861.08490400003,4664.328175000031,4467.57144600003,4270.814717000032,13060.575709819697,17038.89819947836,22945.63904474409,24330.706569257225,23363.60050782932,22356.8021628742,21350.00381791908,20343.20547296396,19336.40712800884,572.1169759999997,581.1909000000003,1113.9557000000004,1548.4133200000033,1477.5969000000032,1414.7120000000032,1351.827100000003,1288.9422000000027,1226.0573000000027,96.9176790521477,128.85592411999983,189.66948797262148,212.82359468150506,203.09315017471297,194.07162131531686,185.05009245592078,176.0285635965247,167.00703473712858,13283.273735205948,11465.467012475792,23994.496503651357,36047.07869630563,34198.82148656235,32719.866331523754,31240.91117648516,29761.95602144658,28283.000866407998,175.77777777777777,159.5,281.5833333333333,344.66666666666663,342.41666666666663,330.16666666666663,317.9166666666667,305.6666666666667,293.4166666666667,53.94548095000025,59.09366388607597,34.899578175324734,23.974351532110244,24.434017550724786,24.55093385858601,24.678985052910214,24.819841366666832,24.975524660818902,163.25719637274622,215.68225568959951,148.99765613470188,111.60874573053773,112.86763530352329,112.91314223673838,112.96298316359302,113.01780818313311,113.07840425736163,7.151462199999996,7.356846835443042,7.2334785714285745,7.102813394495428,7.138149275362334,7.145010101010117,7.152524338624354,7.160790000000015,7.1699257309941675,1.2114709881518464,1.6310876470886053,1.2316200517702693,0.9762550214747938,0.9811263293464395,0.9801597036127114,0.9791010182852952,0.9779364644251372,0.9766493259481204,166.04092169007436,145.1324938288075,155.80841885487894,165.35357200140197,165.21169800271667,165.25185015921087,165.29582633060932,165.34420011914764,165.39766588542687,2.197222222222222,2.018987341772152,1.8284632034632033,1.5810397553516817,1.6541867954911431,1.6675084175084174,1.682098765432099,1.6981481481481482,1.7158869395711502,0.35075673401500956,-0.16286696685836682,0.009743449474716538,-0.009279042801310696,-0.017200170461313086,0.0010961531957981011,2.637352960765966E-4,-1.0015896982397605E-4,-4.4052992648436183E-4,2348.5023510000005,-21.609857062494456,-809.9609353749986,134.7418196249945,-15.647643562505209,-16.36886912500495,-17.090094687504234,-17.811320250003746,-18.53254581250303,3935.526363775862,-156.1030419699244,-1746.8268142630563,145.6621578650665,0.18571330398636832,0.08960408043932233,-0.006505143107723654,-0.1026143666534054,-0.19872359019976926,2.4028992000000073,0.06428843999996908,0.7876378399999703,0.013676880000006046,-0.1665022800000087,-0.1722479200000106,-0.1779935600000125,-0.1837392000000143,-0.1894848400000161,17.522061226651786,-1.0388306092186703,-7.946312681187405,0.28958003704834306,-0.016761899616080975,-0.016985092758200246,-0.017208285900321293,-0.017431479042440565,-0.01765467218456694,96.004664490197,-6.214676022353681,-42.94452295211804,0.9248760873632693,-0.20233130870873617,-0.20592220646953785,-0.20951310423033953,-0.2131040019911412,-0.21669489975195,44.02222222222235,0.8586111111111079,10.757222222222202,0.433888888888901,-3.2491666666666887,-3.3716666666666875,-3.4941666666666853,-3.6166666666666822,-3.73916666666668,0.00438445917518762,-0.002061607175422365,6.326915243322428E-5,-4.256441651977383E-5,-8.30926109242178E-5,5.536127251505561E-6,1.3954248469661196E-6,-5.564387212443113E-7,-2.576198400493344E-6,29.356279387500006,-0.2735424944619551,-5.259486593344147,0.6180817413990572,-0.07559248097828604,-0.08267105618689367,-0.09042378141536632,-0.09895177916668747,-0.10837746089183059,49.19407954719828,-1.9759878730370175,-11.343031261448418,0.6681750360782867,8.971657197409098E-4,4.5254586080465824E-4,-3.4418746601712455E-5,-5.700798147411411E-4,-0.0011621262584781827,0.030036240000000092,8.13777721518596E-4,0.005114531428571235,6.273798165140389E-5,-8.043588405797521E-4,-8.699389898990435E-4,-9.417648677249339E-4,-0.001020773333333413,-0.001108098479532258,0.21902576533314733,-0.013149754547071776,-0.05159943299472341,0.0013283487937997389,-8.09753604641593E-5,-8.57832967585871E-5,-9.104913174773172E-5,-9.684155023578092E-5,-1.0324369698577159E-4,1.2000583061274626,-0.07866678509308457,-0.2788605386501172,0.004242550859464538,-9.77445935790996E-4,-0.0010400111437855446,-0.0011085349430176694,-0.0011839111221730067,-0.0012672216359763157,0.5502777777777793,0.010868495077355796,0.06985209235209222,0.0019903160040775276,-0.015696457326892215,-0.017028619528619632,-0.018487654320987753,-0.02009259259259268,-0.021866471734892867,-0.47020786214394267,0.014430320800174144,-0.009708019807928172,-0.01895162153509209,0.0012626704982989514,3.1826612843450787E-4,-1.269115982179262E-4,-5.875749545285943E-4,-0.00931802327029325,-0.1791605306626034,0.021054498536426873,-0.0025750020968417935,-0.0028161285391668286,-0.003080219404570357,-0.003370719356514281,-0.003691798250768047,-0.04016718863783589,-0.23057716224907865,0.013582427849619981,1.8237270175573508E-5,9.19919358122093E-6,-6.996522125937954E-7,-1.1588382585635928E-5,-2.3623295103289896E-5,0.027093195470491428,0.17027868430173748,0.002088742853679545,-0.026779611581867424,-0.02896297905127409,-0.03135428627967186,-0.03398472423090939,-0.036892050387540336,-0.060037477906174426,-0.23558613260060304,0.0060648060824226085,-3.6970700840146544E-4,-3.9165847281988554E-4,-4.1570055289724564E-4,-4.421468409822967E-4,-4.7137694886596385E-4,-0.06555246915205225,-0.2323724915916697,0.0035352872754616984,-8.144987046047561E-4,-8.666338447684402E-4,-9.237342363762847E-4,-9.865446671449138E-4,-0.0010559667222050121,0.019750924926037736,0.12693969332030858,0.003616929638909177,-0.028524606954473408,-0.030945497376592884,-0.03359694879129517,-0.03651354534746767,-0.03973715206744781,1.5996025240286553,1.0280585258204622,0.9830602580671726,1.1044089774067227,1.1215688055587474,1.160821894797744,1.2033918074553365,1.2504266298658664,1.350465946371966,1.3236416291173805,0.9495873010166862,0.9972205665588395,1.001412673344911,1.006004028396322,1.0110545189528748,1.0166366400943276,1.50043100094937,1.4261655278803442,0.9622389420839469,0.9778017293108773,0.9765997146391825,0.9752832223797073,0.9738350808942846,0.9722345034630278,0.7712816251301727,0.7478242581662636,0.9199031301075127,1.1403842274474427,1.1843440178136826,1.2324904548814695,1.2854515356560345,1.3439874670384488,1.557874216564992,1.4479282347333349,0.9689519997203287,0.9769991513791256,0.9755741983930539,0.9740135355987849,0.972296806525089,0.9703993691278461,1.5674051702851275,1.4467169773041053,0.9705800083807268,0.9786935661617975,0.9777392839486918,0.9766941177152902,0.9755444348585486,0.9742737327537286,0.6114336193841475,0.5298837331270431,0.7916317400627034,1.1414598102261304,1.1888126596607127,1.2406753042795409,1.297724213360252,1.3607782707652483,505.06983649548636,252.784918247743,396.71023647587685,505.53412220977157,18.05479007892042,252.784918247743,0.49999999999968736,0.07328079515426189,0.0026171712555093534,-7.317678781758532,305.2521921007004,10.901864003596444,16.019187224023494,505.11023036557333,252.8043807618852,396.74289165200764,505.57315215532776,18.05618400554742,252.8043807618852,0.49853115819709615,0.07317281173126777,0.002613314704688135,-7.3218077840494855,305.3737624627448,10.906205802240887,16.020302135748675,540.8790962436406,270.0405536437618,426.14430842802335,540.1381064986747,19.290646660666958,270.0405536437618,-0.7979889561168534,0.013622119883654915,4.865042815591041E-4,-12.028968967298077,316.0297958408256,11.286778422886629,16.11634219937659,505.1526242936087,252.82480694702332,396.77716514752103,505.6141146368725,18.057646951316876,252.82480694702332,0.49698960043795637,0.07305950697280439,0.0026092681061715855,-7.326146816487697,305.5020540050306,10.910787643036807,16.021478205627357,578.8001409823391,288.31777622683035,458.21252165437295,576.7901659199952,20.599648782856963,288.31777622683035,-2.1645885286785074,0.0884971692086326,0.0031606131860225928,-6.789397198704294,405.77777451247584,14.492063375445566,16.816255837728537,509.29920171342974,254.82273504259283,400.13651377568993,509.62073663006015,18.20074059393072,254.82273504259283,0.34626837175594005,0.0621018986378476,0.0022179249513516997,-7.781140406568738,322.35889925515727,11.512817830541332,16.171863452656385,510.8925370273173,255.55515620095466,400.6364459362071,511.81817369223927,18.279220489008544,255.55515620095466,1.178083028082625,0.1299336468917574,0.004640487388991336,-5.714047828591955,303.18287772859475,10.827959918878383,16.00014130484625,0,11.890000000000002,15.995927743602675,-0.3157110190556043,0.2615471071762234,4.349836609406024,7.631600752021229,27.0,79.0,78.0,78.0,26.0,1.0,1.0,0.0,0.0,1.0,59.72076399999998,3.590932808902575,3.533605239703112,3.497607725198588,3.4203791934690706,3.33247761865181,3.2441624708681647,3.097023668994355,3.0104102932744317,1.9522952172962331,1.9305255832846258,1.8918991678848756,1.81282221205079,1.7897380235104678,1.6703639695796428,1.6148565891157012,1.5141829288773652,3.5798109731804306,3.5485092485055802,3.5083178808526836,3.4150789047075336,3.360453246723681,3.2398664172509712,3.1188381723251446,3.021078315040467,1.8962738487148982,1.87455537694323,1.8365282954311688,1.7649618463016168,1.725420685303973,1.6202003399350116,1.5472525671675317,1.451389557025847,3.7095469103028513,3.679349726984316,3.642182040479829,3.567987057284179,3.5013773750246435,3.405454401838627,3.2908750670569598,3.2001750509169073,1.7217298828939611,1.6944927483759435,1.6529907081967894,1.5621525206635298,1.5259550068358552,1.399229510222304,1.3098385133578607,1.20715823416148,3.5975951117728693,3.566723856612451,3.524618014822374,3.4259680913502693,3.3828745775274647,3.2516302417111116,3.1410544374608484,3.0392762803815745,1.8636794427872505,1.840659825693567,1.8038707698567373,1.7379353627651624,1.6842035903572696,1.5911080651498322,1.5029125204968414,1.4123866530656668,3.7602858175243643,3.7346943637652994,3.6961510387589116,3.6195751684628337,3.5673237631352257,3.4621933190546965,3.3649972185266317,3.2701087011750896,1.6687313672987008,1.6402720447466315,1.5995228085474984,1.5098825510547957,1.4640419391023332,1.3428361491943195,1.239747108223451,1.1399832036919713,5.195256609243833,3.6185806612047124,3.611971704568754,3.543103012599141,3.5142757102747715,3.414669437745831,3.3239150921359215,3.237121145815319,1.8088846813656922,1.7790832999267951,1.7325796873943042,1.6241068044315323,1.6072117970600996,1.454580759407793,1.3813557273038986,1.2683179166235123,0,0,1,0,0,3,22,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.08333333333333333,0.08838834764831845,0.08333333333333333,20.547913017666765,13.808060412490448,9.753589796577641,6.6009536313039,4.458363251697087,3.0046009608838817,2.019965802552676,1.3543625530579064,0.7338540363452416,0.5114096449070537,0.36124406653991264,0.2538828319732269,0.17833453006788347,0.12519170670349508,0.0878246001109859,0.06156193422990484,19.57995254821832,12.964690378025045,8.687984601729687,5.745394899343333,3.781223086975703,2.4747595222876324,1.6092269365432808,1.038410797451799,0.6992840195792257,0.4801737177046313,0.3217772074714699,0.2209767268978205,0.1512489234790281,0.10311498009531801,0.06996638854536004,0.0472004907932636,41.51712110726649,77.74508375819389,73.56078431372535,74.56000000000003,47.722895808383306,615.0436742514964,0.5189640138408311,0.9718135469774236,0.9195098039215669,0.9320000000000004,0.5965361976047914,7.688045928143706,9.1516,123.88100000000011,260.2327025872274,408.7311355019965,520.4654051744549,18.58805018480196,260.2327025872274,0.03552748153912122,0.0012688386263971865,-9.344856511537744,518.7573546827664,18.527048381527372,17.50402149760915,1045,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,25.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,23.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.084535372553418,0.019461848088759393,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.80515651316356,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.535058066734155,0.0,29.027611379290338,0.0,0.0,0.0,0.0,0.0,0.0,0.019461848088759393,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.729275393252356,5.355259979301062,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.355259979301062,0.019461848088759393,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2087620296280277,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2563292149221046,0.0,0.6198191978961209,0.0,0.0,0.0,0.0,0.0,0.0,0.019461848088759393,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.729275393252356,5.355259979301062,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.729275393252356,0.019461848088759393,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2787288518120508,0.0,1.4335187147836195,0.0,0.0,0.0,0.0,0.0,0.0,0.019461848088759393,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.729275393252356,5.355259979301062,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,50.66666666666667,1.8095238095238098,0.5559027777777779,11.729275393252356,-0.055561157256124094,0.019461848088759393,15.947709649066583,1.6472048185779073,4.729275393252356,14.239186878575149,1.6472048185779073,4.729275393252356,14.239186878575149,13.66666,0.4881,0.0,0.0119,0.45917,0.75476,0.43023,0.45917,0.75476,0.02893,0.0,-0.02893,0.0,0.64669,0.0676,0.0,0.09756,0.03659,0.0,15.75,0.5625,14.25,0.50893,1.5,0.05357,-12.75,-0.45536,0.0,0.0,39.18159,1.39934,43.83767,4.65608,0.16629,12.75049,0.45537,13.80805,1.05757,0.03777,0.10595,0.00378,0.10595,0.00378,0.0,27.02,2,2,2,2,0,0,0.9615384615384616,1.0639993696997976,1.4386589546162278,2.328503406608729,3.014562745603953,3.453555424414239,3.7222873522723003,85.11994957598381,115.09271636929823,186.2802725286983,241.16501964831625,276.2844339531391,297.78298818178405,0.16830298505930016,0.22756648494304973,0.36832171635925826,0.4768423019619403,0.5462819843217105,0.5887898907427578,5.257928725187564,4.883269140271134,3.993424688278633,3.3073653492834088,2.8683726704731227,2.5996407426150614,0.16830298505930016,0.22756648494304973,0.36832171635925826,0.4768423019619403,0.5462819843217105,0.5887898907427578,8.85902780966628,13.454815694163443,17.20296558081758,19.73299290206073,21.558595811492555,22.163243629946958,105.3445390730148,89.11157798280931,77.97204253093332,66.69037307100119,57.90780347732469,53.99369335861207,28.0,25.037037037037038,25.0,28,3,16,4.1000000000000005,3.846399999999992,0.038461538461538464,4.609291683753185,0.15569978883230456,0.0,0.0,3.988878603278465,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,13.338,27.0,26.0,25.0,24.0,23.0,22.0,21.0,20.0,19.0,262.0,3.367295829986474,3.4011973816621555,3.367295829986474,3.332204510175204,3.295836866004329,3.258096538021482,3.2188758248682006,3.1780538303479458,3.1354942159291497,3.091042453358316,5.641907070938114,1.0725190839694656,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.0,0.8888888888888888,26.0,0.9629629629629629,2,13.0,26.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407407,0.060000000000000026,0.049586776859504134,0.05555555555555555,0.02469135802469137,0.014423076923076924,0.009600000000000004,0.006944444444444447,0.005323868677905944,0.004261363636363636,0.003527336860670194,0.0030000000000000014,0.0026098303610265334,0.1454175292540285,260.2327025872274,408.7311355019965,520.4654051744549,18.58805018480196,260.2327025872274,0.03552748153912122,0.0012688386263971865,-9.344856511537744,518.7573546827664,18.527048381527372,17.50402149760915,26.3,473.19605367365904,5.807354922057604,4.6913478822291435,5.3706380281276624,6.066108090103747,6.755768921984255,7.456454555176209,8.151044945685024,8.854950316500325,9.55272367519805,10.259096928959389,122.15813334396383,4.007333185232471,0.0,5.093750200806762,0.0,6.304448802421981,0.0,7.5740450053721995,0.0,8.878358040627822,9.201400530406708,396.39673090400146,4.954959136300018,54.648260074545604,1.9517235740909145,5.496721916628113,5.496721916628113,0.0,3489.0,26.0,12.655000000000005,108.0,1.2450886075949361,2.1491813935486244,2.8708335817601562,3.62861067777482,4.946511034481436,5.95968541304429,7.261305135872641,8.358302036565028,9.641012430616437,10.77269037356973,85.19614818681015,83.06408804873993,82.67568831224638,112.82069160720778,142.7250286720885,173.1750499258304,204.19834720541883,235.70580132261847,267.80330804252225,300.52148771242327,295.06497518193,341.3008668127814,354.0412079861726,482.40426159597934,616.6269586913398,750.071533875871,887.1134527802562,1023.0884662984861,1160.9091839538028,1297.8096033919978,9.20340781356963,15.60600519400236,20.455018965104255,26.10846020066021,35.49198410423811,42.84749781824833,52.179260783145736,60.158239071196256,69.42723585362435,77.71180079560432,2.172608012728609,2.771083377243531,2.990986084397408,4.02112264163685,5.197413400865737,6.315986276372108,7.50395670588941,8.646726399293946,9.826488161362908,10.96881508002449,178.48521790924855,331.6003961388085,470.8307469743627,584.7396363579688,807.7895487893268,970.0228994177247,1189.0021864236978,1367.4006389084025,1582.7321418588772,1768.2604162613736,2.585874472573839,4.045436693093358,4.645998000463771,6.279624567774686,8.463925355498287,10.323473486860184,12.58915836978867,14.655422390683597,17.02113569754123,19.346685651852134,0.45997348101265767,0.6004290670615733,0.6557264591589281,0.8831378289160497,1.147225351329199,1.3961348809130036,1.6646661083841539,1.9222999315693399,2.191853249887625,2.4533231509496134,1018.4805799993679,1832.2490890061129,28.96992041762179,254.87661840634559,-458.5236685458205,-23.641131582560796,763.6039615930224,2290.7727575519334,52.61105200018258,0.7998388678954654,1.438912106752253,0.022750820000776766,0.2001611321045341,-0.36009037300759555,-0.01856598573610004,1296.889577978622,2333.107566758246,36.88905670101938,324.54897675302647,-583.8644139822163,-30.103605079110462,0.14533025903965469,0.17543569292538844,0.7129887434340006,1.678726343047301,1229.406685337382,43.950513068332114,0.9654845371562986,0.03451546284370138,1827.6159735522647,42.750625417089104,12.226298134689557,2331.3418498052206,48.2839709407296,13.259749510902058,3349.796001873095,57.87742221171478,14.962567407957014,5.870211244013941,5.870211244013941,35414.000024126435,35275.166671747815,222.1474103434448,1.0039357249157894,159.41666828065027,158.7917077998417,10.168785468542517,16.795448796565836,33.238235671908505,0.9790025306560861,14.516054836244495,23.26337453485022,9.17076020801719,109.88461561260279,41.647552997444876,1.7336960372447057,21.346689079863722,15.217633622184243,83.83740058097442,1.7545686317680271,7.664934366332274,73.79020394478292,8.74441250871977,79.94349824288878,2.708296655251417,18.546994706993814,34.520597726793035,10.279549993677964,58.612459711856076,4.287106796795751,40.5626411733478,16.470061839299643,16.72649059698585,34.69067364484234,4.19368496246399,57.22684253620585,8.037638584985078,18.304266295974266,18.208331181448184,3.7725928755062803,1.2347394142310248,23.41349755941652,0.7288484996599983,23.7261161289027,0.3750000547189755,1.6894064733823466,3.1247664790518868,0.7218850290532965,22.542997301105473,0.0494283233431887,4.872368789413372,6.398488722786663,0.6538937236011314,17.70544674183023,0.11439684664946252,7.159370157278502,1.6282986650130273,1.190350648385614,11.592831275255335,0.18628019126688422,8.936108744087292,0.5526508842736636,2.285587187347966,6.09032618268503,0.270678467620432,8.72814210928107,0.20341538307473386,3.613640426809837,2.917285567538271,0.16450912426483358,3.938471907047135,23.132472899251376,2.1337059602872577,29.56109963043283,3.159333194148301,1.5168659652813248,6.263433105012107,2.1797023924378114,28.841102051475985,0.22401734309911067,4.737594288760815,16.55182919198402,1.4118701141035115,26.191783528349582,0.44367449944537607,8.744220643108546,5.250612396860902,2.0100268350133916,18.395313599774866,0.7156634236627482,13.716691206151053,1.8992530323456989,3.6763573483178145,10.122943865245801,0.7349928691415885,15.662203695299478,0.9271594873898126,5.350528244672006,5.158477742589605,0.6312661405684634,13.707086747519392,23.413846415156886,9.100684538015349,102.2427992228223,37.3743477305173,1.8157770705877176,21.119534475842844,14.408951447628384,81.26001230839405,1.5888144732586822,7.622030663270252,69.13099302503775,7.934664920194231,76.65111004431334,2.4786784579914283,18.17968297016789,32.57471077040421,9.357714679948362,55.87019763749665,3.927209111210874,38.894198213492565,15.754683909707547,15.597941980974582,32.84226369323232,4.281038374446142,54.173558926147706,7.332722445671861,16.98584215651153,17.047158122512347,3.4562871058600693,5.7970012024105575,23.02574473439491,3.050858053636804,36.725828139235944,6.682322139988822,1.4600159248149143,8.346841779643695,3.4716209511910967,34.477824504286666,0.39537301743792974,4.873313212249366,24.612806646860648,2.1972198246340273,32.989478692063564,0.7291546117396642,10.06979736258036,8.379373876391183,2.880249911220613,23.745304201993434,1.1704258400779624,17.48624998763493,3.153633642824453,5.0162511087594766,13.368898383752006,1.0404134938540068,21.21456274477631,1.6626580195734448,6.911560617019639,6.949432863158306,1.0317685603295126,17.530261502692785,23.359233083762142,11.77284389764604,149.39237295389842,60.7201707153243,1.860885736569485,26.580797290001115,21.229086937940252,107.58230979794051,2.4379589425934896,9.01629006523577,94.3552654723053,12.107135446265874,100.6168417001618,3.6388819928942495,21.689109644619435,47.47159283141613,14.111037160754986,73.65208396806011,5.743234686122807,49.755294014591875,23.56688858478603,22.74053586880956,44.00022409923339,5.773727279323907,72.74561205577676,11.332641321675746,23.79570893311056,23.136295127570907,5.052074680286398,9.530256187695079,23.221767455395078,6.9469310793745445,69.16441500988597,19.277823822035256,1.9995655812373698,16.983714589202354,11.642270249556178,71.01475591905223,0.8361852068390687,6.8309460495520264,48.18038396424166,4.279190385447174,62.59096789325582,1.3945349573136214,14.890288226764403,25.559108234920206,5.1874629826125265,44.22311268300119,2.2216405209385313,28.371852692255462,14.186451486309851,9.581520262533452,25.220445332381146,3.3992258014909966,37.38260204889358,4.408007071201009,11.023347087881554,12.018648497486518,1.9565920415403457,99.11620335582327,0.8638491168640718,0.5166699037499998,0.9862630443265307,0.008595793936724563,0.568244692838985,0.6393402661919143,0.6249928269357912,100.49672237643735,137.27812882383097,282.0128748108747,0.979394566489796,1.8325777859666905,88.94020022996621,0.46007844479743004,0.10502712638870548,0.9936863455621101,0.005140236555579778,0.4575651814205907,0.18112949193739533,0.025825674334872865,89.50530580115235,50.30892336933478,144.11188341309526,0.9905295183431653,0.6645203476928588,95.01870680422795,0.5869978241913942,0.26971631150226805,0.9910642985731399,0.006122505835559507,0.5222358126761587,0.29518945039493777,0.17031901147633316,95.87542093992161,81.5621921625144,192.4812491777788,0.98659644785971,0.9877442745474296,98.14409644018497,0.8597947877352183,0.5018393129431155,0.986316023275472,0.008640656001034358,0.557154203496779,0.6333502512894749,0.5896279525493142,99.5057305408633,134.06782731876802,275.92065732622126,0.979474034913208,1.780132407335568,97.23668561783674,0.6557856732206844,0.34582065067468426,0.9898043186205899,0.006675458828311564,0.5468985179555539,0.3684523241744196,0.2799951774713439,98.23829194173211,97.61966345766744,217.9097021015529,0.9847064779308848,1.1953460196013173,99.39834323654435,0.9020018543702051,0.5472300142237189,0.9856294822450313,0.008944209649362678,0.5714843710458021,0.6970614940756843,0.7011138119300766,100.84757510513828,144.54484919143422,294.45569378113413,0.9784442233675471,1.969659677051563,98.40540374892211,0.8676544693511516,0.5045690083781531,0.9862471827014666,0.008695881967409565,0.5601253821785405,0.6449769244736874,0.5960598204555699,99.77762722665142,135.47199691491764,278.3306788904074,0.9793707740521999,1.8011621271077978 +UMLCN0362,L,decyl valerate,CCCCCCCCCCOC(=O)CCCC,Esters,,C15H30O2,BioCompoundML (2016),Unknown,PubChem,,61,0,-2.822099999999999,7.964248409999994,56.4665,48.007789999999964,0,0,47,17,30,0,15,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2706.3797369999975,2815.1381800000017,3243.741132000001,3062.084614999998,2893.5176139999976,2696.760884999997,2302.2692429999975,2073.350257999996,1882.6899129999958,7718.047413096562,9856.006720084311,12896.62081645844,13255.924774750976,12288.818713323057,11282.02036836793,10309.87630977008,9509.014240638464,8688.7183622689,341.36509199999995,341.6573200000002,643.9311120000011,856.6794200000024,785.8630000000018,722.9781000000012,660.1889880000007,602.9390960000004,580.3649800000003,56.45829514547006,73.68004929999998,105.10489637928187,113.58677722814775,103.8563327213558,94.83480386195981,87.21734947486583,82.33338586886585,75.97953443856392,7820.347473682471,6702.033045802002,13828.272315027076,19778.571990881213,17930.314781137942,16451.35962609936,14946.167967377467,13861.390498823468,13491.941255930367,129.02777777777777,101.75,179.83333333333334,209.91666666666669,207.75,198.83333333333337,178.08333333333334,146.83333333333334,140.58333333333334,57.58254759574463,61.19865608695656,36.860694681818195,25.73180348739494,26.791829759259237,27.24000893939391,25.580769366666637,24.682741166666617,23.24308534567896,164.21377474673537,214.26101565400677,146.55250927793682,111.3943258382435,113.78535845669496,113.95980170068616,114.55418121966756,113.20255048379124,107.2681279292457,7.263087063829786,7.427333043478265,7.317399000000012,7.198986722689096,7.276509259259275,7.302809090909103,7.335433200000008,7.177846380952386,7.164999753086423,1.2012403222440438,1.6017402021739127,1.1943738224918394,0.954510733009645,0.9616327103829241,0.9579273117369678,0.9690816608318426,0.9801593555817363,0.9380189436859743,166.39037178047812,145.69637056091307,157.13945812530767,166.20648731832952,166.02143315868466,166.17534975857942,166.06853297086076,165.01655355742224,166.56717599914035,2.745271867612293,2.2119565217391304,2.043560606060606,1.7640056022408965,1.9236111111111112,2.0084175084175087,1.9787037037037039,1.748015873015873,1.73559670781893,0.3040759798826673,-0.16292456495965918,0.03266276053377462,-0.010571905027922032,-0.013747809071805103,0.03143766217264635,-0.040832757242144774,0.0027131783748962934,0.005340758645313385,1456.1836857446824,-19.638600856497966,-354.762677266638,131.1423173272977,-29.794750221819683,-31.884312738795742,-288.4568778089628,-93.94456860751455,7.2765000995927736,2283.9921679398444,-154.2459010923128,-912.9459011666656,148.37140428119952,-0.10504991441457179,-0.38350126375593874,-127.34218076157438,-151.8484675053105,8.700343350097164,2.193122553191486,0.05061162879131122,0.8372178578542356,-0.07376016659121909,-0.3085859520144839,-0.3252324418288789,-0.6597873571751873,-0.12123843549117388,-0.08448422996831315,10.140223492616792,-1.046589602826636,-4.288862373509876,0.27172806993969617,-0.02950894168049696,-0.030155585460299464,0.37736965726338745,-0.6750449338380817,-0.03832528240731033,55.89156016476573,-6.29222256353715,-23.221532216127677,0.7322321954542539,-0.36012929428219786,-0.37053298177391136,3.4348553973569667,-3.7104984797468226,-0.38734058882983513,41.42434988179663,0.450518082591416,11.19128816457924,-1.062597454856387,-5.9839671042704214,-2.3229213822242287,-10.495208993511413,-2.4144409234947855,-1.9689150445148549,0.00646970169963122,-0.003541838368688243,3.7116773333834794E-4,-8.883953804976497E-5,-1.2729452844263984E-4,3.1755214315804393E-4,-4.536973026904975E-4,3.229974255828921E-5,6.59352919174492E-5,30.98263161158899,-0.42692610557604277,-4.031394059848159,1.102036280061325,-0.27587731686870076,-0.32206376503834083,-3.2050764200995867,-1.1183877215180305,0.08983333456287375,48.595578041273285,-3.3531717628763653,-10.374385240530291,1.2468185233714244,-9.726843927275165E-4,-0.0038737501389488763,-1.4149131195730487,-1.8077198512536965,0.10741164629749585,0.046662181982797576,0.0011002527998111133,0.009513839293798133,-6.198333326993201E-4,-0.0028572773334674434,-0.0032851761800896857,-0.007330970635279859,-0.0014433147082282606,-0.0010430151847939894,0.21574943601312324,-0.022751947887535564,-0.04873707242624859,0.0022834291591571107,-2.7323094148608295E-4,-3.046018733363582E-4,0.004192996191815416,-0.008036249212358116,-4.731516346581522E-4,1.1891821311652282,-0.1367874470334163,-0.2638810479105418,0.006153211726506336,-0.003334530502612943,-0.0037427573916556703,0.038165059970632964,-0.04417260094936694,-0.004781982578146112,0.8813691464212049,0.009793871360682957,0.1271737291429459,-0.00892939037694443,-0.05540710281731872,-0.02346385234569928,-0.11661343326123792,-0.028743344327318874,-0.024307593142158704,-0.5474500267748251,0.05737014634840196,-0.013731628160666037,-0.019675486498843646,0.04908296516609796,-0.07012646390116545,0.0049924624129317014,0.010191395983713991,-0.013779530122817326,-0.1301178708893219,0.0355694859583558,-0.008904257079489317,-0.010394977711250118,-0.10344752054246853,-0.036097247501070885,0.002899473992043716,-0.06900158199637925,-0.21348414112327463,0.02565703657877007,-2.0015903337982613E-5,-7.971404590884413E-5,-0.02911608785415274,-0.03719926635543589,0.002210317288669121,0.02357911167156159,0.20388757853855813,-0.013283419385056342,-0.06123325596991593,-0.07040339822301483,-0.15710732597079335,-0.030931144813595542,-0.02235247346938268,-0.10545542230827268,-0.2258966388365627,0.010583708589709676,-0.001266427141294883,-0.0014118316087641145,0.019434563859348265,-0.03724806590859084,-0.002193060818149124,-0.11502649043286935,-0.22190128912547327,0.005174322389520829,-0.0028040536560582025,-0.003147337395650491,0.03209353636455727,-0.0371453621709604,-0.004021236489199896,0.011112110516292661,0.14429110624002917,-0.010131271798204163,-0.06286480873797204,-0.026622048707938252,-0.13230941170875585,-0.03261215172329447,-0.027579355643273386,1.6150672128604109,0.9683781160294901,1.033316289461759,1.2225353680919722,1.2507188012005475,1.3089337788893307,0.8613361529812715,0.8704323359816842,1.2634713388229704,1.2191730869986146,0.926583226362872,1.015867470528943,1.0309583482847562,1.1436106582052497,0.9945224068103464,0.9369268127794337,1.5011365895023971,1.3705464077898604,0.9303693597281512,0.9567257920113563,0.9521027769279738,0.9827095221795968,1.0198688404607414,0.9456885429301878,0.726104429359247,0.7105537915274381,0.9831524670619882,1.2931149814234826,1.4006216961441418,1.6030965303052922,0.8757020449984038,0.8958531074617263,1.6002113054559097,1.4081079991899856,0.9419468768674597,0.9541068826587115,0.9486108977911133,0.9303253944571507,1.0209912301833053,0.9460765295009516,1.6163830040557174,1.4073549518104924,0.9465317632275441,0.9596186499115456,0.9559599207948932,0.9257343711191357,1.0186290442178014,0.9452599713894178,0.5833927807105159,0.5044031050986402,0.8460632248333787,1.2963911478892238,1.3614327034073095,1.5834308270319135,0.8702994109614182,0.8956780435736077,178.5222559335,89.51112796674994,141.49129165432953,178.96343240408817,10.527260729652244,89.51112796674994,0.4999999999998863,0.1471030863680986,0.008653122727535212,-3.2582568392831894,123.78364991440245,7.281391171435438,8.191509981076008,178.54785620633368,89.52319368226549,141.51111124054913,178.98773664003716,10.528690390590421,89.52319368226549,0.4985311581973093,0.14695005097057745,0.008644120645328086,-3.26002631674314,123.74216613664935,7.278950949214668,8.190940162347879,201.28991780920586,100.24596442654482,159.60665581639526,200.58580990675034,11.799165288632373,100.24596442654482,-0.7979889561162281,0.028216758538755438,0.0016598093258091435,-6.065326645312901,536.8459952942341,31.579176193778473,10.68570915256718,178.57472428609276,89.53585694326532,141.5319138514456,179.01324452177323,10.530190854221953,89.53585694326532,0.4969896004378711,0.14678948598080643,0.00863467564592979,-3.261884837476374,123.69894746240654,7.2764086742592085,8.190346309969096,225.51275756863782,111.67408451997973,179.706358010603,223.60282651392163,13.15310744199539,111.67408451997973,-2.1645885286783795,0.06578300336435716,0.0038695884331974803,-4.626369428635966,137.73665976207755,8.102156456592796,8.373084119168514,181.20385947923558,90.77506392549607,143.57483234904277,181.5093903954914,10.67702296444067,90.77506392549607,0.34626837175657954,0.1313203962333746,0.007724729190198506,-3.4511957873706876,120.823518946688,7.107265820393412,8.150362631690133,180.89131365903904,90.59746480640229,143.93283126937166,181.6529943313079,10.685470254782818,90.59746480640229,1.1771428571427265,0.2383064501332003,0.014018026478423547,-2.4381363075356957,150.17134397496204,8.833608469115415,8.520020790081809,0,11.890000000000006,15.995922182319102,-0.31567577353102955,0.2615065489234388,4.271284820847436,7.516997036887283,16.0,46.0,45.0,45.0,15.0,1.0,1.0,0.0,0.0,1.0,35.67020999999999,3.576248988527348,3.4955826719664294,3.3410741938043116,3.17289208339105,3.0180298575214186,2.7328996664910226,2.46590507155528,2.3205311706343297,1.9306846613614572,1.844655438340514,1.8023929872427058,1.6209420038842874,1.4736470880858685,1.3720569026845193,1.1470096028097196,0.9912285582735678,3.550445104250511,3.477858957302218,3.3682833323986543,3.149137672536972,3.0091590490173803,2.76070180651224,2.4609579484229296,2.3212008955729386,1.8756690693293587,1.8067621132930545,1.7379434560083538,1.568572378206864,1.4384584356787822,1.2872925026836126,1.069021689316802,0.9395609178325297,3.6888699785336665,3.6312504854948635,3.5115164751228214,3.340293283236506,3.202295319784102,2.9728007156774505,2.731701389155965,2.598980352357859,1.6950317817053404,1.60858093094231,1.5355278169582804,1.3251631385339482,1.1796157596570604,1.0003939808441815,0.7269652661445924,0.5854105569045425,3.5674696620601845,3.4812013308579752,3.3906248480516097,3.1602737524063556,3.014676283487976,2.7906277508217556,2.4818163601315635,2.340753506671564,1.8452015410454128,1.7880864618637613,1.6965171924613625,1.540398863393016,1.4116992186909283,1.232588558716465,1.0219822912277894,0.8988226642075613,3.737459165904318,3.6732057790631694,3.577992575515135,3.3978884625821,3.2642945344680525,3.064928888086335,2.8243202448074842,2.69467183069217,1.6414319151639472,1.5637976212003437,1.4730577204637745,1.2633108638972241,1.1232180769103115,0.9119383366456049,0.6335097896894835,0.49690896102569876,5.114521844880168,3.5938983126137405,3.4985200602473063,3.4391048273175713,3.294612415980662,3.0282792033831747,2.862679285337766,2.6671662050119966,1.7977654592421823,1.6567817550448358,1.6307267337257294,1.4013814563209472,1.161872402809423,1.100476153158451,0.8334082030518445,0.603536652866774,0,0,1,0,0,3,11,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4505237851453038,0.08333333333333333,0.08838834764831845,0.09196278254943947,12.769738424614747,8.308060412490448,5.86450250005163,3.8509536313039003,2.5003828766652423,1.7028242655872445,0.9713526704200184,0.6243500601776564,0.7511610838008674,0.519253775780653,0.3665314062532269,0.2567302420869267,0.17859877690466017,0.13098648196824958,0.08830478822000166,0.06243500601776564,11.8017779551663,7.464690378025045,4.798897305203675,2.9953948993433333,1.81523282930597,1.1268699740241177,0.6573980161916608,0.4023505951877072,0.6942222326568411,0.4665431486265653,0.2999310815752297,0.19969299328955556,0.12965948780756928,0.0866823056941629,0.059763456017423715,0.040235059518770724,24.557015265621775,45.978878368536094,43.580392156862715,44.20000000000002,27.93879640718567,361.7328682634731,0.522489686502591,0.9782740078411934,0.927242386316228,0.940425531914894,0.5944424767486313,7.6964440056058105,4.860500000000005,73.09400000000005,94.53376251044587,149.26644237480625,189.06752502089182,11.121619118875985,94.53376251044587,0.08485409666739735,0.004991417451023374,-4.193597412202775,122.21939520108799,7.189376188299294,8.169890176716695,361,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,12.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.337083911123933,-0.018707597300219536,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.358032490200843,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.332057040490065,0.0,13.516233312352886,0.0,0.0,0.0,0.0,0.0,0.0,-0.018707597300219536,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.186818421242643,5.150265489881291,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.150265489881291,-0.018707597300219536,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2173970236251705,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0891090306113824,0.0,0.5907914201183432,0.0,0.0,0.0,0.0,0.0,0.0,-0.018707597300219536,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.186818421242643,5.150265489881291,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.186818421242643,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2429480098786834,0.0,1.377483806949619,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.186818421242643,5.150265489881291,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,34.16666666666667,2.009803921568628,0.5559027777777779,11.186818421242643,0.040856694912430824,-0.018707597300219536,8.38891086926513,1.6853742639668863,4.186818421242643,12.338281903228,1.6853742639668863,4.186818421242643,12.338281903228,8.16666,0.48039,0.0,0.01961,0.47731,0.7902,0.4283,0.47731,0.7902,0.049,0.0,-0.049,0.0,0.60794,0.10635,0.0,0.16327,0.06122,0.0,10.25,0.60294,8.75,0.51471,1.5,0.08824,-7.25,-0.42647,0.0,0.0,19.18292,1.12841,22.99979,3.81687,0.22452,7.25049,0.4265,8.30805,1.05757,0.06221,0.10595,0.00623,0.10595,0.00623,0.0,16.02,2,2,2,2,0,0,0.9333333333333333,1.133097855882247,1.6731846215259525,2.885267321754209,3.6549247556107374,4.006612521844372,4.269346895154942,53.25559922646561,78.63967721171977,135.60756412244783,171.78146351370467,188.31078852668549,200.65930407228225,0.20399311022633485,0.30122564715489336,0.5194385036946126,0.6580009525829892,0.7213157677069592,0.7686161854923758,4.4214909957953905,3.881404230151685,2.6693215299234287,1.8996640960669002,1.5479763298332658,1.2852419565226958,0.20399311022633485,0.30122564715489336,0.5194385036946126,0.6580009525829892,0.7213157677069592,0.7686161854923758,9.8270042805424,16.478041835075377,21.373686525544954,23.26142092317252,25.48686916262243,24.52495317904436,62.83123232785535,47.24874548795054,37.27613204315452,31.362312592894778,25.973857016905242,26.70187899211488,17.0,14.0625,13.937777777777777,17,3,10,2.8899999999999997,2.296500000000002,0.06666666666666665,4.053014499415862,0.30151134457776363,0.0,16.566154073628123,2.935542613222824,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,7.849,16.0,15.0,14.0,13.0,11.0,10.0,9.0,8.0,7.0,136.0,2.8903717578961645,2.9444389791664403,2.8903717578961645,2.833213344056216,2.772588722239781,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,5.017279836814924,1.1029411764705883,0.4666666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,0.8125,15.0,0.9375,2,8.0,15.0,0.875,1.5,0.666666666666667,0.375,0.24000000000000007,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.09375,0.041666666666666685,0.025,0.017142857142857147,0.008547008547008548,0.007421150278293135,0.00625,0.005486968449931412,0.005000000000000001,0.004722550177095631,0.22982949978546977,94.53376251044587,149.26644237480625,189.06752502089182,11.121619118875985,94.53376251044587,0.08485409666739735,0.004991417451023374,-4.193597412202775,122.21939520108799,7.189376188299294,8.169890176716695,26.3,282.94022278912274,5.08746284125034,4.174387269895637,4.844187086458591,5.541263545158426,6.2285110035911835,6.932447891572509,7.627057417018934,8.334471554600944,9.033006356693267,9.742673052026605,95.45800517701608,3.4965075614664802,0.0,4.574710978503383,0.0,5.7899601708972535,0.0,7.0707241072602764,0.0,8.390041405755754,8.707813551024888,242.2245802,5.153714472340425,32.6499295893422,1.9205840934907177,5.467273520202966,5.467273520202966,0.0,772.0,15.0,6.395999999999999,64.0,1.2418043478260865,2.140409478383662,2.8662276618213784,3.6315065110494484,4.9315512401165895,5.936909962811507,7.209712361284538,8.26273831246037,9.547017171701608,10.6789439376644,87.33010284515211,87.12263785331074,87.12130725150293,121.6363167405355,155.38353137809747,176.68729400967484,200.66341433493122,216.8595254852734,246.49692390127817,277.03690320974886,291.4242086069012,334.4305273351778,350.95002937963545,481.7436849700177,615.8129739307494,752.0742564510921,878.9141904258315,958.2758018674958,1081.9271750459154,1200.1688233885527,9.270882947217395,15.731439622008223,20.705110889839112,26.625647586088487,36.17310558643571,43.75428383132627,51.92376115205909,59.429560625302656,68.81965653783708,77.29540386498347,2.1227683767586947,2.6765395287221483,2.910994847055891,3.9163300211239354,5.038277167379738,6.200777277336216,7.447113257635212,8.197863630662118,9.262197522567085,10.240617932503453,178.8432100860174,333.07205580187343,472.656586203358,589.1550417446891,810.6959186946327,972.0665099094898,1178.6482334658708,1362.039832205542,1581.2247185381386,1772.0991897535448,2.823061594202898,4.515972290708034,5.178657214205507,7.242300662541684,10.147548765913992,11.960933020917897,12.843587193885806,14.652901430254444,17.304785552441885,20.20360408487025,0.4573413586956519,0.5928739331387941,0.6546988940148943,0.8877574649415942,1.1537520721090093,1.4077334002691528,1.6572789047064522,1.8354535212400451,2.0892134622103735,2.329707050570526,664.4514277235274,806.6221343080044,20.5484058570207,203.16665782672706,-246.63762664771806,-20.812725677111796,461.2847698968004,1053.2597609557224,41.3611315341325,0.7658339986102568,0.9296972340041001,0.023683699313377767,0.23416600138974294,-0.2842698080588042,-0.02398834927917863,576.4900756626204,699.8399519307712,17.82816855077794,176.2710667112686,-213.98726545675163,-18.057497207058365,0.21536774960381166,0.2599817263117828,1.869354980834811,2.709858288992126,819.2102415551012,48.407843995153485,0.9442060454924097,0.05579395450759028,1144.7187129446147,33.83369197921821,10.46083280377357,1435.3297953982446,37.885746599456695,11.280211261924862,2039.428322875395,45.16003014697173,12.681466597197463,4.3039245609181185,4.3039245609181185,7630.989875104908,7543.54442766296,134.1379414662024,1.0115920902011628,56.889123179422164,56.23721629546285,7.160809500443533,10.297101362724511,19.61634918628073,0.9050360383254921,8.380242660651197,12.8296841500407,5.916650993823269,54.92197053466603,19.36049218615212,1.733558097581254,13.364317582589033,13.2690256493276,31.710655081523054,1.451177769956611,7.907830576995114,27.836521476676047,7.062964697752801,22.58381434603379,3.432520158212604,15.258734917494074,12.33816335091144,7.865413346261362,10.038054376624277,4.163401048962786,21.974549009140794,4.603247390126843,10.163532580549546,0.10805596720100157,2.372967395877837,22.18874858156389,6.1945524884862335,6.005211342959431,0.15789745137955302,0.5985109621354661,0.7198032163159569,12.980270333493714,0.4954064236773672,14.111663754945962,0.20035106833829155,1.6892396478479528,2.78231930003574,0.7225908511407144,7.733996964824449,0.07481169246469088,5.008356829092825,1.6451590707088748,0.6328755794736755,4.616754578952764,0.08042774911891627,4.9178810675127265,0.5244589414403638,0.8520193804823138,2.117735412796155,0.11005338304559993,5.1484029931065045,0.21836035274421975,1.2780166704982794,0.0349349200088384,0.15405903995789497,4.291773653499481,0.32717585325419,1.455892007410629,0.0030805604481575957,0.0171451216922366,2.2761950892643696,12.699213857935007,1.331234453601298,16.095589749458156,1.4697600962127784,1.5167018376191665,3.946826078706795,2.0094914811247673,10.358353547069594,0.27240520272409346,4.90882531249806,5.460631683414219,1.266420490274963,7.170827800451315,0.3964503735901464,6.534344603939327,1.9501194165972582,1.5082228123536452,3.316936364912904,0.512981366772099,7.705072236199947,0.8131297786045568,2.1346318727550164,0.025603681786231344,0.33469220636599006,6.67209922291788,1.1441232604875204,2.0571323890401447,0.01664059207668057,0.07714365637930061,7.915380571576179,12.980206574703741,6.0545035725814715,52.06643895360679,17.312635003962054,1.8156480180563297,13.839238481228083,12.511980299852809,30.60530328726796,1.337440132508089,8.327523064507439,26.22760869375032,6.42999213381124,21.49592126481415,3.0970466436797843,14.606969152153923,11.430271039254828,7.165798661612643,9.614592298024801,3.7651028308471077,21.02346782959304,4.232150046873579,9.597457032758111,0.10794621029019484,2.5873426987163044,21.24249306290182,5.791239951580325,5.61089361626437,0.14203722384643364,0.5421644374275063,3.3471110179704664,12.592445228395118,1.8450818622972465,19.174571334466638,3.11583461540142,1.459851610344483,4.817799355579949,3.161952948344377,12.572228806864928,0.4327962108090114,4.947124903101719,8.399156698978402,1.902782158864312,9.162613252087178,0.7227194364313978,7.7984716565256615,3.1798903056924517,2.1882999065237247,4.217533659861702,0.9156058040993355,9.73707059564642,1.3096741213334404,2.9279398519489765,0.02701522362839341,0.4263236711130411,8.643738715792956,1.795010223278473,2.567068293138193,0.03130599273636779,0.13575129334425298,10.120379694172819,12.925330360757485,7.745704388128657,73.93195929785924,28.212176735985597,1.8607628532931675,17.08134375484035,18.372531337144707,41.15735708584195,1.9058021172877215,9.379434846793112,36.527489796262316,9.682383794294743,28.61122583176287,4.8225289617745775,18.247577114350257,16.745336443203207,10.781129486360554,12.568897062847217,5.808610003031427,26.804347670855165,6.112010855100011,13.89042401912199,0.14959033333252736,3.456932704170993,28.008111797574113,8.199404660033265,7.596697795049952,0.22386752600560111,0.8307033477228509,5.439688375246341,12.833108045509968,4.829746491788821,39.76809012874146,8.21570050988497,1.9169709473273744,13.979794701123208,9.362917432562782,22.25383407132307,0.79181659830014,8.971005245776412,18.297400269115066,3.413763062193784,14.807455957736147,1.5258258319075608,11.111898283393701,7.199253412000759,3.855272845989636,7.142542456744647,1.8833748489861364,16.03352765374488,2.445325810395023,5.9680213877688635,0.10788257045256713,2.2563530496475797,18.75564822757452,3.878403940765557,3.875913269348936,0.0686024221606936,0.27420189075099216,35.6547281138476,0.8267500486569122,0.49287192127659557,0.964309799443578,0.022360096845071207,0.5639736375929887,0.6213267892520982,0.5957333234902871,36.974350083781104,47.45824443593624,98.96125033703984,0.9464646991653669,1.781033750335374,31.28641758391877,0.4625634891046353,0.0963284288659795,0.9824497884708121,0.014525325592366793,0.4342862205961527,0.19248304892043777,0.022755830655983526,31.845309501889385,17.530283944062145,50.76965408355304,0.9736746827062183,0.649525100172574,33.71290047441578,0.5668029330535624,0.2555569205974154,0.9761878194680165,0.016412296524457425,0.5042122757152329,0.292009455894905,0.1601618335523307,34.535260328066755,27.868986312447298,67.28757416923273,0.9642817292020247,0.9563835651624686,35.26070992279453,0.8240214145545046,0.47556296581285895,0.9644536674242534,0.02253869752036541,0.5515735871520315,0.6172062383035616,0.5546254486120912,36.560294303161896,46.21614192412712,96.59419405820971,0.9466805011363802,1.7234052740676842,34.66614898246138,0.6278868666448663,0.33105397210579157,0.9730824302882268,0.01762485006482727,0.5331365572706933,0.35830922957278544,0.2687703429560696,35.625089821212036,33.45065042273262,76.28159993198247,0.9596236454323402,1.1602161297995484,35.80997804195564,0.8631223902514851,0.5214548092940865,0.9627747343514227,0.023205611268834966,0.5688947890123354,0.677218724047037,0.666833015223898,37.194555241501206,50.03175843452539,103.34364429271533,0.9441621015271339,1.9129465282832703,35.42565716642696,0.8321739745050447,0.4783654705427394,0.9643256633530094,0.022652698190457496,0.5567456334095426,0.6293448638726652,0.5611815534357311,36.736196611474746,46.82480437822977,97.66336331807172,0.946488495029514,1.747272050717939 +UMLCN0363,L,dibutyl adipate,CCCCOC(=O)CCCCC(=O)OCCCC,Esters,,C14H26O4,NREL (2014),Blend,PubChem,,81,0,-1.7147999999999988,2.940539039999996,60.3732,45.184617999999965,0,0,44,18,26,0,14,0,4,0,0,0.0,0.0,0.0,0.0,0.0,3069.987361999998,3054.673553000002,3696.823834000003,3481.4964569999997,3341.119184,3056.6025270000005,2880.090470000002,2710.7734520000026,2034.0316259999959,7602.977087552225,9458.21495733104,12128.659904835487,12362.04643369101,11434.632655790301,10603.963138692083,10128.114195965618,9392.834928544838,8313.132709428299,333.65415199999995,328.20741200000015,606.632536000001,772.5277800000017,693.7798400000013,630.6152760000008,555.2058320000003,573.8006240000004,540.772296,53.17735152607405,67.66609206,93.23318744158388,97.87705856595979,87.43769841177185,80.15773690437587,77.2845916095839,76.6238401723759,71.50315387456399,7324.785081100475,6295.984128015401,12689.472646109378,17192.97985569235,14975.42059124437,13507.490949522276,11708.985003338783,12511.455922927478,12624.851354459966,184.55555555555554,114.25,211.66666666666666,236.08333333333331,245.8333333333333,227.77777777777774,214.49999999999997,249.25,130.66666666666669,69.7724400454545,71.03891983720935,46.210297925000035,33.80093647572815,37.12354648888889,37.73583366666667,40.001256527777805,35.66807173684214,26.763574026315734,172.7949338080051,219.95848737979162,151.6082488104436,120.01986828826223,127.05147395322557,130.91312516903807,140.6682527217447,123.58993327032682,109.38332512405657,7.583048909090908,7.63273051162791,7.582906700000012,7.500269708737881,7.7086648888889036,7.785373777777788,7.7111921111111155,7.550008210526322,7.115424947368421,1.2085761710471374,1.5736300479069767,1.1654148430197986,0.9502627045238814,0.9715299823530206,0.9896016901774798,1.0733971056886653,1.0082084233207356,0.9408309720337368,166.47238820682898,146.4182355352419,158.61840807636722,166.92213452128493,166.39356212493746,166.75914752496638,162.62479171303866,164.62442003851945,166.11646519026272,4.194444444444444,2.6569767441860463,2.645833333333333,2.292071197411003,2.731481481481481,2.812071330589849,2.979166666666666,3.2796052631578947,1.7192982456140353,0.536403053658631,-0.3213645841810925,0.10135511463393455,-0.003644400088421166,0.03326189945111494,-0.019305902141841434,-0.3360942588840521,0.35818120703207595,-0.00443727195534015,1552.9679037272713,11.276365221073664,-117.57474559504163,176.53741650206572,-222.6150192603315,-323.2509746342986,-433.81101346281105,-31.25793643801666,430.66614838016585,2103.5004391446437,-198.69422566589597,-681.5905474979049,288.51181433097076,-45.193110070161616,127.66201368653037,-409.34650085807596,-399.32079221742856,213.22491750727914,3.9113269090909135,0.015281975206612643,1.4806925289256192,-0.7324990826446294,-1.5153934049586721,-1.8749407190082557,-1.2515483966942123,3.0263786115702573,0.7571113388429688,9.327986379575727,-1.6172928222385778,-3.5356532050048517,0.6116019682326784,-0.007307768834898781,1.7341834456419087,-1.322539753270549,-0.7793123289113466,-0.5442919162923481,52.3022582563211,-10.072923605054193,-19.33659670825615,1.7426291326059498,-0.4149022068596102,10.59815061384241,-6.854666350758735,-0.9623847796217212,-5.28542312256173,75.3030303030302,0.4134527089072554,20.570247933884307,-10.833103764921947,-25.483471074380176,-29.643709825528056,-17.470615243342507,43.4942607897153,10.527089072543617,0.012190978492241612,-0.007473594980955639,0.001266938932924182,-3.5382525130302586E-5,3.695766605679438E-4,-2.383444708869313E-4,-0.004667975817834057,0.004712910618843105,-5.838515730710724E-5,35.29472508471071,0.2622410516528759,-1.4696843199380205,1.7139555000200555,-2.4735002140036833,-3.9907527732629453,-6.025152964761265,-0.41128863734232446,5.666659847107446,47.80682816237827,-4.620795945718511,-8.519881843723812,2.8010855760288424,-0.5021456674462402,1.5760742430435848,-5.685368067473277,-5.254220950229323,2.80559101983262,0.08889379338842986,3.5539477224680565E-4,0.01850865661157024,-0.007111641579074072,-0.016837704499540803,-0.02314741628405254,-0.01738261662075295,0.039820771204871805,0.009961991300565378,0.21199969044490288,-0.03761146098229251,-0.044195665062560646,0.005937883186725034,-8.119743149887534E-5,0.021409672168418627,-0.01836860768431318,-0.010254109590938771,-0.0071617357406887905,1.1886876876436614,-0.2342540373268417,-0.24170745885320186,0.016918729442776212,-0.004610024520662336,0.13084136560299273,-0.09520369931609354,-0.012662957626601594,-0.06954504108633856,1.71143250688705,0.009615179276912916,0.25712809917355384,-0.10517576470798007,-0.2831496786042242,-0.3659717262410871,-0.2426474339353126,0.5722929051278328,0.1385143299018897,-0.6130430781837458,0.10392430219858619,-0.002902353174752967,0.030315586300405983,-0.01955088929396559,-0.3829041139564618,0.3865900199760356,-0.004789210098620368,0.007430035253808391,-0.04164033907079989,0.048561236726065965,-0.07008129991286365,-0.11306938256877642,-0.17070972929525083,-0.01165297750174261,0.1605525991067198,-0.09665556413874077,-0.17821474821097963,0.05859174690516627,-0.010503639056343113,0.03296755513020798,-0.1189237664578508,-0.10990524057323152,0.058685989589254715,0.003997970597270774,0.20821089871477202,-0.08000155362927398,-0.1894137246001738,-0.26039406579160945,-0.19554364774150157,0.4479589596415485,0.1120662188082751,-0.17741281085534152,-0.2084704226209555,0.02800892385391593,-3.830073116072683E-4,0.10098916712325502,-0.08664450238471949,-0.048368512092727495,-0.03378182168879191,-0.19706945715169646,-0.20333975136256283,0.01423311574490542,-0.0038782470522604633,0.11007211310681606,-0.08009143217830082,-0.010652888692490294,-0.0585057301503626,0.005618205356168038,0.1502414486921532,-0.061454813020518015,-0.16544600938967166,-0.21383941509137191,-0.1417803114986215,0.33439408380105207,0.08093473119418275,1.6193008638966557,0.9244460484695421,1.1055797933600668,1.3484138107217414,1.5396385100872516,1.6637141257908155,0.38606180524710537,0.5100668596508884,1.0441751855322168,1.0520261506637156,0.9328528571588414,1.1313837348864737,1.2043227171853848,1.2352653099081001,0.9954575292659589,0.6732044459608402,1.440457221690968,1.2770997911814443,0.8862836755093498,0.9499414924230684,0.8974089750916463,1.1302618523819952,1.0967485217539636,0.9268370807266918,0.7111908732391112,0.7183175723486163,1.1173124700826453,1.548445711275371,1.7520148845230876,1.4652473784994968,0.5477622589352567,0.28998344525878506,1.644919608441248,1.3501908992515708,0.9055134465684535,0.935084785222861,0.8253158663786447,1.1182773148112517,1.0410866410204047,1.0070686588722522,1.6776870265775203,1.3512237522294879,0.9193309609132944,0.9522504401844553,0.8351703203533453,1.1268280553447707,1.0053814572340205,1.0073610014576995,0.5522132796780692,0.502820254862509,0.95540622375027,1.5343684328191394,1.7175824494290872,1.7280590953126191,0.9487883440996873,0.3017923329450391,179.5379791479076,90.26898957395376,141.76214469648116,180.42686803679638,10.023714890933132,90.26898957395376,0.9999999999999147,4.996003610813204E-16,2.7755575615628914E-17,-63.41890171122149,120.17218735519835,6.6762326308443525,8.620066096076023,179.5846928882973,90.29087760234606,141.79454265626777,180.47097050287047,10.02616502793725,90.29087760234606,0.9970623163948176,1.7208456881689926E-15,9.560253823161071E-17,-61.19272898235342,120.19068306933302,6.677260170518501,8.620343112950131,220.9226836304622,109.66335285911498,170.7411147667696,219.50403659736688,12.194668699853715,109.66335285911498,-1.5959779122322288,3.885780586188048E-16,2.1587669923266933E-17,-63.87126768212712,137.61584461473586,7.645324700818659,8.864038923635531,179.63371957398383,90.3138493874298,141.828545620521,180.51725664142893,10.028736480079385,90.3138493874298,0.9939792008757706,7.216449660063518E-16,4.0091387000352874E-17,-62.756997106995925,120.21009796796525,6.6783387759980695,8.620633850920807,264.651021499401,130.16092222102208,201.80894333234028,260.8028641150838,14.489048006393546,130.16092222102208,-4.329177057356844,4.440892098500626E-16,2.4671622769447922E-17,-63.630911175402986,157.71230041389984,8.76179446743888,9.109390481544876,184.42885269066457,92.56069471708884,145.1585321736718,185.0444409071207,10.280246717062262,92.56069471708884,0.6925367435131022,1.6653345369377348E-16,9.25185853854297E-18,-65.3964038308241,122.1255183499948,6.784751019444156,8.649088838596073,172.80302986978867,86.81820195714951,137.9477523246995,174.23549269030087,9.679749593905601,86.81820195714951,2.4882086167799287,8.881784197001252E-16,4.9343245538895844E-17,-62.38324625039508,110.15644681681842,6.1198026009343565,8.463422878471649,0,11.890000000000002,15.99792872940149,-0.31660939548918265,0.2625648872486207,4.301709472656252,7.439219293937721,17.0,43.0,41.0,41.0,15.0,2.0,2.0,0.0,0.0,2.0,34.17138199999999,3.6052857205262643,3.505112734550226,3.339792118322044,3.2559275748424277,2.9709606095041,2.7237906067099944,2.6286712657457336,2.239062292871586,1.8604531333712313,1.820412963909574,1.8013589881343028,1.5208071451275196,1.4028165082290458,1.3588142206061624,1.043657665012524,0.9069544133409203,3.535846560022775,3.419266060609363,3.3618689199266463,3.204044630471617,2.8778369300745883,2.7328167897782034,2.58868285825508,2.1660926146542883,1.8424636096908062,1.7778316470741102,1.7376389614195011,1.5451259448660666,1.3622006177336137,1.2790133549505391,1.0658373676930368,0.8330534239683861,3.6972423914368413,3.6012052480366235,3.510695936534008,3.39095225990012,3.1255780950586187,2.964321792271318,2.834580362203594,2.4884356018993152,1.64921483050141,1.5632737299493473,1.5315232921158315,1.3099128165713723,1.0592976774079954,0.9798355751556556,0.76123840096188,0.42831946662310943,3.532278462645925,3.4218927605036833,3.3832149048707625,3.1865845112748628,2.8671783429342,2.7592612729019406,2.5844096189219097,2.160784830189995,1.8377878455869565,1.7620264923748745,1.6970103807232764,1.5540973829352607,1.344382779267904,1.228251114095521,1.0655535464737131,0.7954347214602828,3.7236922762441087,3.6352372849898895,3.5767605753672513,3.4200101477964235,3.1732366749242646,3.054329377329254,2.889960494141319,2.5696500546989784,1.6131432302453321,1.5133441997905537,1.4686732737167336,1.2845844077641566,1.0000816015064227,0.8906126946847918,0.7148584916116065,0.34078683652693964,5.0743670352199,5.072115401501028,3.536780475702211,3.531528939240585,3.3644119354358386,3.1704341611528437,3.1380487867233597,2.752886276970682,1.7020409783888364,1.6317674410772318,1.6224068290343012,1.2547669743578742,1.0874677498505707,1.0637842189567097,0.6709847149606764,0.5239216837268855,0,0,2,0,0,4,8,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5773502691896258,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.8164965809277261,0.8660254037844387,0.8164965809277261,0.16666666666666666,0.1767766952966369,0.16666666666666666,13.639981912617825,8.701907262607799,6.486364312983974,4.244800481421253,2.7598722539017917,1.7658553180454983,1.2103297785833886,0.6746461760604292,0.7577767729232125,0.5118768978004588,0.3603535729435541,0.24969414596595604,0.17249201586886198,0.11772368786969989,0.08645212704167062,0.056220514671702436,11.70406097372093,7.015167193676994,4.355153923288064,2.5336830175001186,1.3436963044151788,0.7760734954761143,0.4795560612769202,0.25198191475568726,0.6502256096511627,0.4126568937457056,0.2419529957382258,0.14904017750000698,0.08398101902594868,0.05173823303174095,0.03425400437692287,0.020998492896307272,23.90295786688374,43.86453022578299,41.82745098039213,42.48000000000002,26.302166467065906,338.7280946107785,0.5432490424291759,0.996921141495068,0.950623885918003,0.9654545454545459,0.5977765106151343,7.698365786608602,3.2334000000000023,70.20200000000004,99.4797822240539,154.65883524364523,198.9595644481078,11.05330913600599,99.4797822240539,6.661338147750939E-16,3.700743415417188E-17,-62.901073980808285,126.61490917691047,7.034161620939471,8.7140704838158,380,0.0,0.0,4.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,32.49769521123417,-0.3281475334496611,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.334800283941248,1.17,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.107122348373805,0.0,7.056663307175018,0.0,0.0,0.0,0.0,0.0,0.0,-0.3281475334496611,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,22.47007748975011,10.027617721484063,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0138088607420315,-0.16407376672483065,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2901457642285564,0.585,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0535611741869024,0.0,0.39479591836734684,0.0,0.0,0.0,0.0,0.0,0.0,-0.16407376672483065,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.235038744875055,5.0138088607420315,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.235038744875055,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5875868055555555,0.585,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0535611741869024,0.0,1.0246831955922864,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.235038744875055,5.0138088607420315,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,43.33333333333333,2.407407407407407,0.5875868055555555,11.235038744875055,0.08632331906209068,-0.16407376672483065,5.221857370772245,1.8307404333914974,4.235038744875054,23.209635119215957,1.8307404333914974,4.235038744875054,23.209635119215957,8.33332,0.46296,0.0,0.03704,0.53333,0.87037,0.42857,0.53333,0.87037,0.10476,0.0,-0.10476,0.0,0.53191,0.18238,0.0,0.2,0.12,0.0,13.0,0.72222,10.0,0.55556,3.0,0.16667,-7.0,-0.38889,0.0,0.0,18.01063,1.00059,25.7624,7.75178,0.43065,6.58676,0.36593,8.70189,2.11513,0.11751,0.21211,0.01178,0.21211,0.01178,0.0,17.04,4,4,4,4,0,0,0.8571428571428571,1.288649764535596,2.0566768987283126,3.356492413796824,3.788754913993503,3.7887549139935026,3.6978458230844127,56.70058963956623,90.49378354404575,147.68566620706025,166.70521621571413,166.7052162157141,162.70521621571416,0.2360410120600155,0.3767199669114401,0.6148062011324582,0.6939833994915383,0.6939833994915382,0.6773316494084808,4.170781854101701,3.4027547199089847,2.102939204840473,1.6706767046437943,1.6706767046437947,1.7615857955528846,0.23464753006536698,0.37449597843446225,0.6111766565715389,0.6898864276842385,0.6898864276842384,0.6733329821869715,11.790235124255796,21.369734790932025,25.05547392113356,25.491118889226676,25.49111888922668,24.40020979831758,65.88018107042564,41.98802075425655,34.515781557844356,32.155080755904955,32.15508075590495,34.83809706714563,18.0,13.432098765432098,13.28719723183391,18,3,6,2.56,2.2300000000000018,0.06666666666666665,3.477214072229027,0.5656854249492381,0.0,10.498546720045582,5.685186206553481,0.0,0.19999999999999996,0.0,0.0,0.14285714285714285,1.0690449676496974,0.14285714285714285,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.7630000000000001,0.7480000000000002,0.989,0.12,7.9399999999999995,18.0,17.0,16.0,15.0,14.0,12.0,10.0,9.0,8.0,154.0,2.995732273553991,3.1354942159291497,3.091042453358316,3.044522437723423,2.995732273553991,2.9444389791664403,2.8903717578961645,2.5649493574615367,2.4849066497880004,2.3978952727983707,5.236441962829949,1.2142857142857142,0.4666666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,0.7647058823529411,15.0,0.8823529411764706,1,8.0,15.0,0.875,2.5,1.1111111111111116,0.625,0.40000000000000024,0.22222222222222227,0.163265306122449,0.09375,0.07407407407407407,0.060000000000000026,0.049586776859504134,0.14705882352941177,0.06172839506172842,0.03676470588235294,0.025000000000000015,0.014814814814814817,0.011661807580174929,0.0078125,0.007407407407407407,0.00666666666666667,0.006198347107438017,0.3379019799044409,99.4797822240539,154.65883524364523,198.9595644481078,11.05330913600599,99.4797822240539,6.661338147750939E-16,3.700743415417188E-17,-62.901073980808285,126.61490917691047,7.034161620939471,8.7140704838158,52.60000000000001,280.5882328635782,5.169925001442312,4.2626798770413155,4.948759890378168,5.673323267171493,6.3784261836515865,7.110696122978827,7.823645930834952,8.559294367434873,9.276596167753247,10.013820684220475,99.04724249146493,3.5553480614894135,0.0,4.672828834461906,0.0,5.932245187448011,0.0,7.257707677160043,0.0,8.620651899784468,8.922258219503062,258.18310931200006,5.867797938909092,34.46983256246063,1.9149906979144795,10.901505314037347,10.901505314037347,0.0,859.0,17.0,3.348,70.0,1.2455581395348836,2.141317963016575,2.8688647875683633,3.66724285899649,4.914773544387204,5.914222875541728,7.101825350792716,8.123279375752206,9.419224730966086,10.597059229822355,99.54649287006976,108.17241074674203,111.01094331720626,164.18466117152448,208.8982397808042,268.8505273623289,279.3398855268735,245.94816712153735,293.8653558062587,363.986454862294,297.533035690193,344.74211572312737,374.87762796028994,530.8120616432699,698.2302167564812,909.976097790171,942.2267126862328,964.8074612484377,1099.8344722123934,1292.9404839849046,9.565411929767444,16.335066553695015,21.60222085233951,28.4454178846511,38.44275363703071,45.7526299217527,53.83391411595302,58.13990271312149,70.265503265232,80.37004622984702,2.0800820089018597,2.603878166499753,2.88791713659177,3.9351878355303875,5.165646869293575,6.806786028959165,7.545584954247296,8.095609777217339,8.874235077637127,10.147644528478645,180.52313517409274,336.622210588036,475.28444914138174,598.1102793253954,812.0747137046973,947.6789073182222,1158.4030492034308,1334.7188595238322,1573.874008082977,1764.5587860956794,3.3938120155038756,5.8984835075648885,6.716860524945655,10.182167341548741,14.033567447682628,17.821684711674393,23.64618076836711,14.550193815095739,21.43660630159086,26.60246357415633,0.46844215116279037,0.6102948147534101,0.6927309911462605,0.9660817134435129,1.269290953945865,1.6308286955334712,1.7601759175005403,1.8296625133974105,2.1202333021971094,2.4751429981874473,633.2060962137043,979.2352661305948,23.461594047836606,229.59386612841837,-355.0604012573119,-31.881321368865578,403.61223008528594,1334.2956673879066,55.34291541670218,0.7338967592149958,1.1349505202485188,0.027192391135656385,0.2661032407850041,-0.41152111353074117,-0.03695099995405864,546.3301959679867,844.8841507415558,20.242662460959597,198.0935790495818,-306.34610083398775,-27.507202876474338,0.16906205432339466,0.20408353350646222,1.276025669141278,1.883109814546092,762.8374375292392,99.9625248128836,0.8841417139825444,0.11585828601745561,1358.2138886969792,36.85395350158486,11.074464169927726,1610.0768268234583,40.1257626322972,11.720573602233141,2516.922153785688,50.16893614365056,13.602641776644877,4.300605811834256,4.300605811834256,7492.5728674574,7353.657932606853,178.94896270378285,1.0188905897070062,41.869887113344035,41.09360468760852,7.22436892446115,10.25864206450363,19.296949430655697,0.8810432520524238,7.277866504479024,11.431528556468129,6.750679050430008,44.42161397192843,12.01907891080051,3.3234268691512945,15.25767517000228,16.953560850959505,21.941477341974025,3.8612295363018223,11.963877764540614,12.660806350053756,6.510208297825989,5.363295969803549,3.3907355360755,23.714002454816523,7.213468562118369,11.458048260553573,1.0052594956659908,1.6737180217661554,12.753506110630589,6.6760972523121165,10.371608805775134,0.1845165108142114,3.8258587391907324,2.3226154177975538,5.273657800063849,3.755901588426052,8.431513307066552,4.542143142792729,0.643795944947631,11.73341197102085,0.6187868816605959,12.460888949753318,0.22413137259945295,3.377141087874585,2.9329362146595033,1.105319693030153,5.498837170501694,0.4316607568200266,9.519165292964946,2.4151358323297063,2.953147176233264,1.1907799652306599,0.027049462666068374,7.57459555505158,0.42777584287033754,5.8134531009394275,0.01018119263368398,0.13552310818627242,3.565925101885014,0.3907430926993908,5.33519888636449,0.01872993158382427,1.4011483695641362,0.017458766227512384,0.19211370671066275,0.22939253554976033,0.2713759991272751,2.1632371506462826,1.983416914685289,11.17125016761917,1.4483604474846588,13.736176069469412,1.0176861335752942,3.022352299742113,3.8726905248970067,2.6561097886103884,5.805882257294562,0.7477326006346724,9.317079365532162,2.208898513315853,2.1147436500074144,0.6987789227418946,0.2569386038096003,9.80040820995488,1.2617331157405793,5.005088565119456,0.07886786745035973,0.21938394741622147,4.447265842490545,1.28567277522794,4.325284734360421,0.041317009496649876,1.6920494292075081,0.1730226810630545,0.7736469269090712,0.6345067728243701,1.1634742353091894,2.55436909415,6.879942507606389,11.732650999020118,7.350838857420673,44.28633867967664,11.034436019076983,3.5031527276050944,16.514403070540766,16.514689196074894,23.208797598176737,4.8498489420241775,12.210459760932087,12.445425235454469,7.569612602803842,5.353794083658575,3.0232607160643585,22.752274820761922,7.145896144183974,13.629062631085445,0.8973402795369313,1.5237577125914867,12.401789701758304,6.3567406088651355,11.833270192157782,0.20937820734465407,4.069947142974682,2.0702724019522796,4.8270414617573945,3.4286732100774153,7.658295731348643,4.363093708101561,2.9080281145361533,10.957650783166638,1.8610889348992283,15.67259641434761,1.9689212728862824,2.896243494591837,4.518091758533781,3.9428567431838033,6.429496966571823,0.7403909552310628,9.419229452657122,2.691166121526258,2.0716653892920784,0.9274006890903244,0.5503611172774207,11.678862068951974,1.860383619834255,4.6060406034345105,0.1659504595356373,0.34619836248496205,5.361980480712711,1.9638386373939418,4.004722379741797,0.05029047947110315,1.8467156759742502,0.37329236073162203,1.301649927973131,1.006052307708151,2.0055576119485887,2.85091410666487,8.789123866090133,11.622495008680676,9.143560477080946,59.411915746915284,17.506722703570162,3.5124598915891294,20.472945001401662,23.678283398518534,29.92631809624162,5.639355338016468,12.883396321597905,17.944191368643267,8.94715762660522,7.797232285654896,4.934822417494946,28.688210902396808,9.833886951946088,14.941400505854245,1.460231430324954,2.3849865166995166,15.880260973313298,8.817119254646897,13.6056571091175,0.25132962477552373,4.782003432069943,3.384188588821943,7.21206194434583,5.093896947713205,11.605110130980602,5.243022280165862,4.72429086950499,11.969018176954163,6.515269120538999,43.49723771057967,6.849620916527684,3.6935084770060755,17.442336922093787,14.97703264482932,30.612077464295687,5.310649671408112,12.072585234988308,15.249328419107714,26.73805048254065,8.103809720899491,1.340520802344738,18.333732098542303,7.078339547859769,19.936507661269644,0.4035117982000454,0.7834525365595194,12.49047832364386,4.72801482811329,16.62908743323927,0.35745706457470905,3.8999931850977445,0.9157737937108663,2.5209583424964386,1.851709436116931,3.855035399664138,3.9874565708473186,35.517342605333184,0.8600073931040411,0.4513999159090909,0.964391750682195,0.023351522794126462,0.5722803582078578,0.5637893136893046,0.5454427577557167,36.82874991434632,46.96590995428581,97.58275029897206,0.9465876260232926,1.6815124296528792,28.406393201277076,0.6154056219851307,0.0774912682030362,0.976188529410503,0.021148475445647654,0.36678550965392676,0.28008520743667836,0.01607428888043542,29.099290091465242,19.730390072734078,50.184340210611616,0.9642827941157546,0.6629450059710406,32.46317140015681,0.6316314193018648,0.22510948567207123,0.9742874201730113,0.018956575080919507,0.4783116706493072,0.30422542019685184,0.13564813384603966,33.31991230513075,27.954713067627708,65.8904411310483,0.9614311302595169,0.9181852246921988,34.67430257325101,0.8711233603330903,0.42740060446982997,0.9639026429177237,0.024216149915591723,0.5455175335554089,0.5791427152644728,0.4889860798803329,35.97282653805393,45.397731504968164,94.28044759362963,0.9458539643765854,1.6136463287002145,34.19285157055916,0.6617859471511149,0.3015068538937751,0.9725995891112862,0.018824190165905842,0.5304536366645055,0.3341833530078343,0.24334398179662853,35.15614437160405,33.137260763992735,75.11600734961445,0.9588993836669294,1.1079809714689683,35.70441791220652,0.8973941652171824,0.4774585174661101,0.9629212586810494,0.024202044722553398,0.5783192329558114,0.6137970222400068,0.6102355753228722,37.07927059488981,49.51678323794988,101.89427178015345,0.9443818880215742,1.8023518305186905,34.81764547025085,0.8878122202945224,0.43100372470273485,0.9635045631656461,0.024568322008416188,0.5500626842699233,0.6016177568262693,0.4972654421449268,36.13646141524811,46.30071638721189,95.76016285591442,0.9452568447484692,1.6489458832411195 +UMLCN0364,L,dibutyl azelate,CCCCOC(=O)CCCCCCCC(=O)OCCCC,Esters,,C17H32O4,BioCompoundML (2016),Unknown,PubChem,,83,0,-2.578799999999998,6.65020943999999,69.108,54.46537599999996,0,0,53,21,32,0,17,0,4,0,0,0.0,0.0,0.0,0.0,0.0,3508.876108999998,3560.1084440000036,4277.949445000009,4071.7666440000016,3931.3893710000016,3646.872714000001,3470.360657000002,2978.0867980000016,2696.760885,9060.03025938582,11417.185360802143,14869.301239822498,15382.441468556397,14455.02769065569,13624.358173557473,13148.50923083101,12407.895563904693,11282.020368367932,396.58648399999976,393.53475200000025,734.8210600000008,961.1824800000022,882.434540000002,819.2699760000017,743.8605320000013,762.0684400000015,722.9781000000014,64.21172895516804,82.71405791999996,116.2962578761308,124.94164514414766,114.50228498995976,107.2223234825638,104.3491781877718,101.7295857791678,94.8348038619598,8814.674061515969,7595.102482562802,15462.079243006921,21629.845320808094,19412.28605636013,17944.356414638052,16145.850468454573,16822.408617023866,16451.359626099358,197.30555555555554,130.0,239.41666666666666,272.8333333333333,282.58333333333326,264.5,248.9166666666666,237.66666666666663,195.44444444444446,66.20520960377355,68.463623923077,43.652545357142955,31.321281876923088,33.60161855555557,33.76733994444445,35.05414805050507,29.19692939215688,27.24000893939394,170.94396715822302,219.56125693850274,151.72756367165815,118.3264728350492,123.5472452192794,126.15146456997661,132.81322455384858,121.64603494024209,113.95980170068619,7.4827638490565995,7.567976000000005,7.498174081632661,7.3937113846154014,7.5421755555555725,7.5858331111111275,7.513742747474761,7.471259215686289,7.302809090909105,1.2115420557578875,1.5906549599999993,1.1866965089401103,0.9610895780319051,0.9786520084611945,0.9927992915052203,1.0540321029067858,0.9973488801879197,0.9579273117369677,166.31460493426357,146.05966312620774,157.77631880619307,166.38342554467764,165.91697484068487,166.15144828368568,163.08939867125832,164.92557467670457,166.1753497585794,3.722746331236897,2.5,2.443027210884354,2.0987179487179484,2.4152421652421645,2.449074074074074,2.514309764309764,2.330065359477124,1.974186307519641,0.5491087650758094,-0.32154434384764397,0.09306164684208944,-0.01693924805918929,-0.014683919716147135,-0.029030866665982064,0.05567882597452189,0.015321889463789515,0.015748638498677695,1805.7894538867943,10.361228941263793,-246.61248139444382,198.8916692588092,-176.34151880669356,-272.9757753919549,-375.4548069960842,-556.1225120085444,-15.458551373444294,2556.473058106294,-201.83227845499766,-920.6891015137505,289.03021601625767,-35.365086331937334,138.50746130495907,-387.73032969875453,-465.94377727548726,15.008475696763142,4.025077132075467,0.04380839871840113,1.548135944464219,-0.5330054937700233,-1.2055083859024605,-1.5402290238519134,-0.969313737273054,-1.1899772730509086,-0.31886452972587687,11.340898157783569,-1.615772117384591,-4.535850594519023,0.6144472470680464,-0.006016737194776495,1.7354981398159413,-1.3257556236132653,-0.9406042137177725,-0.010039424796743718,63.246428195768296,-10.0230004662765,-24.602343478235277,1.8545886276373222,-0.33624953725946827,10.680675840520388,-6.916747130977724,-3.610944803698167,-0.346157403153337,77.05345911949672,0.9517424152525618,21.431025275898858,-7.611209999604478,-19.825560697757275,-23.684407262371042,-14.499228669752021,-24.96766346267956,-6.213589256754068,0.010360542737279424,-0.006183545073993153,9.496086412458106E-4,-1.303019081476099E-4,-1.255035873174969E-4,-2.688043209813154E-4,5.624123835810292E-4,1.502146025861717E-4,1.5907715655229994E-4,34.07149912993951,0.1992544027166114,-2.516453891780039,1.5299359173754554,-1.5071924684332783,-2.5275534758514344,-3.792472797940244,-5.452181490279847,-0.1561469835701444,48.23534071898668,-3.8813899702884167,-9.394786750140312,2.2233093539712128,-0.30226569514476354,1.2824764935644357,-3.9164679767550963,-4.568076247798895,0.15160076461376912,0.0759448515485937,8.424692061230986E-4,0.015797305555757337,-0.00410004225976941,-0.010303490477798808,-0.01426137985048068,-0.00979104785124297,-0.01166644385344028,-0.003220853835614918,0.21397921052421828,-0.031072540718934442,-0.04628418973999003,0.004726517285138818,-5.142510422885893E-5,0.016069427220517976,-0.013391470945588539,-0.009221609938409535,-1.0140833128023957E-4,1.1933288338824206,-0.19275000896685576,-0.2510443212064824,0.014266066366440941,-0.0028739276688843443,0.09889514667148508,-0.06986613263613863,-0.03540141964409968,-0.0034965394257912828,1.453838851311259,0.018302738754856957,0.21868393138672304,-0.058547769227726754,-0.16944923673296816,-0.2193000672441763,-0.14645685525002042,-0.2447810143399957,-0.06276352784600069,-0.5968360182274477,0.09165626409019267,-0.012576745393728854,-0.012113611275006708,-0.025945003828235814,0.05428406579100828,0.014498719458553827,0.01535413352235947,0.005848125495056993,-0.07385803255040121,0.044903686554580186,-0.04423616532648747,-0.0741838058317313,-0.11130924364310403,-0.16002176685817954,-0.004582920844622713,-0.08046776310549832,-0.19476978103820633,0.046092954270271394,-0.006266477869529881,0.026587901618358837,-0.0811949893662402,-0.09470392827557621,0.003142939644543552,0.011093170754097008,0.2080102236508995,-0.053987099535588355,-0.13567069087239003,-0.1877859994413902,-0.1289231284490446,-0.15361731066095305,-0.04241043033119945,-0.14521289541545268,-0.2163022736021898,0.02208867522017457,-2.403275724911538E-4,0.07509807696341243,-0.0625830467959077,-0.0430958218595999,-4.7391674654656286E-4,-0.16152296290349047,-0.21037312941624434,0.011954849293322769,-0.002408328356178406,0.08287334041006611,-0.05854725927373559,-0.029666105970911117,-0.002930072019139528,0.012589248621571222,0.15041827448034267,-0.04027115465714844,-0.11655297048922378,-0.1508420737596765,-0.10073802548193479,-0.16836873916199216,-0.043170897372423675,1.6168473629704943,0.9301818799699579,1.072210225265702,1.2941891009489628,1.403058154106257,1.1519075513373247,0.9727026174473083,0.7996471778585122,1.0991140588001393,1.1065862334857623,0.929569116702369,1.0838825838185524,1.1330455738941194,1.145590972498696,1.170852100626509,0.939800518917292,1.4494127473647047,1.317709064569146,0.9100676809048663,0.9619239451064109,0.9241123167185176,1.0954512688472091,1.07300325971892,0.9615740487147448,0.7087685294937378,0.7078313437519055,1.0544282906229847,1.4154201085268283,1.5611514773310675,1.2708247189573636,1.2718727014432312,0.862690578906158,1.6191892654446352,1.3788411007552546,0.9265982211678846,0.9521038362065715,0.8720508862013817,1.0886255109417518,1.023560452411938,0.9588125239477654,1.6466947015618536,1.3782801507314373,0.9358772845352341,0.9630350227232466,0.8761162095657361,1.0919593396923273,1.0150372531798915,0.954982526467088,0.5494021140268548,0.49543010282511646,0.9024037872913537,1.4035469579688682,1.5319650957328004,1.5150179508013273,1.5493020862591484,0.8564462181570307,256.6338267455494,128.8169133727747,204.97298645969522,257.53858865031134,12.26374231668149,128.8169133727747,0.9999999999999716,8.326672684688674E-16,3.9650822308041306E-17,-72.91598485318316,2000100.2570380168,95242.8693827627,30.468286518152354,256.6838745307632,128.84046842357884,205.00593976143432,257.5859785313106,12.265998977681459,128.84046842357884,0.9970623163944623,5.551115123125783E-16,2.6433881538694202E-17,-73.7674615802103,2000100.2647598349,95242.86975046832,30.46828652625986,300.9930594957058,149.69854079173666,234.4564919112115,299.5490794798764,14.264241879994117,149.69854079173666,-1.5959779122324278,4.440892098500626E-16,2.114710523095536E-17,-74.23606303797015,2000107.7020746712,95243.22390831767,30.468294335034443,256.7364003973289,128.86518979910227,205.04052553665065,257.6357149124069,12.268367376781278,128.86518979910227,0.9939792008756569,5.551115123125783E-16,2.6433881538694202E-17,-73.7674615802103,2000100.272865785,95242.87013646595,30.468286534770677,347.9058889626191,171.7883559526311,266.14868164608873,343.9890144821533,16.380429261054918,171.7883559526311,-4.329177057356901,1.1657341758564144E-15,5.551115123125783E-17,-72.20939315627862,2000116.6690603,95243.65090763333,30.46830374984125,261.8740595640759,131.28329815379448,208.42742130200594,262.50064042725444,12.500030496535924,131.28329815379448,0.6925367435131022,1.6653345369377348E-16,7.93016446160826E-18,-76.29580446929478,2000101.0745010294,95242.90830957283,30.46828737644532,252.3924403509005,126.57154898470694,204.57310097534503,253.8955032008998,12.090262057185704,126.57154898470694,2.4947712418301364,8.881784197001252E-16,4.229421046191072E-17,-72.78045395879427,2000096.0107892237,95242.66718043922,30.468282059809884,0,11.890000000000004,15.997931753676037,-0.31660939623014484,0.2625861003847743,4.309141418457031,7.574236882230685,20.0,52.0,50.0,50.0,18.0,2.0,2.0,0.0,0.0,2.0,40.730623999999985,3.5980200699142673,3.5478673336585986,3.3907440635438046,3.305407322089873,3.195104013333451,2.9213681173790063,2.725516464603035,2.639570470862848,1.91116579429361,1.824839964598804,1.8160644968703652,1.7205103259821073,1.4857086516990308,1.4019109659840572,1.3603180021202108,1.1394305419038377,3.5596280141131635,3.4570217001788035,3.3888918294417203,3.320791670456226,3.1245117287066613,2.864318338513488,2.7364265078267898,2.6199797519781325,1.8700285150774871,1.7927427075498534,1.761604104026843,1.6797978389132773,1.4917984483081275,1.3556256452236148,1.2796180396772,1.1163840438972037,3.7041387339314955,3.6368014822296146,3.547289442003619,3.4702085141251007,3.323834466905537,3.1005467629539103,2.9655982069454714,2.855535621619889,1.6886040871310855,1.581153862285534,1.5506511305304267,1.4760202548037094,1.244724855097339,1.055814040281889,0.9824689704740351,0.8200236334523872,3.5679398962545275,3.4506255610497787,3.404040088152509,3.337552542417926,3.108979584056553,2.861855206243314,2.7629398302009096,2.629610242867225,1.8507974158107277,1.7859988940741223,1.728125528968033,1.6498677108834008,1.4952818108876202,1.3292684939342236,1.2282826602544594,1.0961678175799328,3.74266899139935,3.6623356199465182,3.605617340308096,3.5298521935781446,3.3539399073669953,3.159897012096391,3.0557497192498224,2.9233668071578967,1.6428951333230624,1.5405585876492816,1.4923583514390224,1.4211805066498917,1.2121133878529877,0.991915758753143,0.8934469021319436,0.7565147531943145,5.1129822211501095,5.112929186349341,3.554293327500801,3.546018332835881,3.5018046739233086,3.251321632968683,3.177876833311798,3.1258181144048622,1.7745727967513318,1.6268976633534127,1.6201725319814515,1.5396435287867667,1.220186581809778,1.0792017150453967,1.0593497504080767,0.8204778649819726,0,0,2,0,0,4,11,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5773502691896258,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.8164965809277261,0.8660254037844387,0.8164965809277261,0.16666666666666666,0.1767766952966369,0.16666666666666666,15.76130225617747,10.201907262607799,7.547024484763796,4.994800481421252,3.290202339791702,2.1366461299440966,1.506999609194027,0.7989854976746419,0.7505382026751176,0.51009536313039,0.3593821183220855,0.2497400240710626,0.17316854419956326,0.11870256277467203,0.08864703583494277,0.05707039269104585,13.825381317280574,8.515167193676994,5.415814095067886,3.2836830175001186,1.8740263903050896,1.1403501907727511,0.7352199036066794,0.4157123128369361,0.6583514912990749,0.42575835968384973,0.25789590928894696,0.16418415087500593,0.09863296791079419,0.06335278837626396,0.04324822962392232,0.02969373663120972,28.528441278241353,52.52804078659876,50.00392156862739,50.76000000000004,31.697829940119806,407.81285988023956,0.53827247694795,0.9910951091811087,0.9434702182759885,0.9577358490566046,0.5980722630211284,7.694582261891313,4.403700000000006,84.05300000000005,138.67059387797906,218.15257722615655,277.3411877559581,13.206723226474198,138.67059387797906,4.440892098500626E-16,2.114710523095536E-17,-74.23606303797015,2000103.0054085103,95243.0002575481,30.46828940379474,540,0.0,0.0,4.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,13.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,32.85199671995689,-0.1612001356350754,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.10624779212629,1.0883680555555557,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.153629366403878,0.0,10.988907382607646,0.0,0.0,0.0,0.0,0.0,0.0,-0.1612001356350754,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,22.67558912153047,10.176407598426412,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.088203799213206,-0.08060006781753781,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2837301587301587,0.5441840277777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.076814683201939,0.0,0.5166405792264308,0.0,0.0,0.0,0.0,0.0,0.0,-0.08060006781753781,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.337794560765236,5.088203799213206,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.337794560765236,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5735938934802571,0.5441840277777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.076814683201939,0.0,1.06,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.337794560765236,5.088203799213206,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,47.83333333333333,2.2777777777777777,0.5735938934802571,11.337794560765236,0.059056961734076374,-0.08060006781753781,7.113750463827907,1.7472667344842046,4.337794560765236,24.011252172721523,1.7472667344842046,4.337794560765236,24.011252172721523,9.83332,0.46825,0.0,0.03175,0.51635,0.84603,0.42923,0.51635,0.84603,0.08712,0.0,-0.08712,0.0,0.55347,0.16082,0.0,0.16949,0.1017,0.0,14.5,0.69048,11.5,0.54762,3.0,0.14286,-8.5,-0.40476,0.0,0.0,23.14826,1.1023,31.23461,8.08635,0.38506,8.08676,0.38508,10.20189,2.11513,0.10072,0.21211,0.0101,0.21211,0.0101,0.0,20.04,4,4,4,4,0,0,0.8823529411764706,1.2470361469923354,1.9443482845069573,3.287857953950897,4.010570454399919,4.114528473349484,3.9635850771230685,66.09291579059378,103.05045907886874,174.25647155939754,212.5602340831957,218.07000908752266,210.07000908752264,0.21771184793581985,0.33945099271725654,0.5740055191114946,0.700179146378484,0.7183284939076987,0.69197627805139,4.480884307570864,3.7835721700562424,2.4400625006123025,1.7173500001632807,1.6133919812137156,1.7643353774401311,0.2166916636552026,0.33786034631884754,0.5713157646808688,0.6968981501188688,0.7149624509258756,0.6887337199264129,11.257361456841863,19.926610097206005,24.967042717648795,26.26677283335076,26.37154432712526,24.560223572408287,76.73807292719442,51.79327563055809,38.82693854078558,33.381920153532846,32.729314922456446,37.67045385902375,21.0,16.3718820861678,16.2,21,3,9,2.89,2.652700000000001,0.055555555555555566,3.7118572080347882,0.49613893835683376,0.0,16.40157810351763,6.08074448993028,0.0,0.12499999999999997,0.0,0.0,0.09999999999999998,0.894427190999916,0.09999999999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.7630000000000001,0.7480000000000002,0.989,0.12,9.437000000000003,21.0,20.0,19.0,18.0,17.0,14.0,13.0,12.0,12.0,187.0,3.1354942159291497,3.258096538021482,3.2188758248682006,3.1780538303479458,3.1354942159291497,3.091042453358316,2.833213344056216,2.772588722239781,2.70805020110221,2.8903717578961645,5.3981627015177525,1.1764705882352942,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.0,0.8,18.0,0.9,2,9.0,18.0,1.0,2.5,1.1111111111111116,0.625,0.40000000000000024,0.27777777777777785,0.12244897959183672,0.09375,0.049382716049382706,0.08000000000000003,0.049586776859504134,0.125,0.052910052910052935,0.03125,0.021052631578947382,0.015432098765432103,0.0072028811524609835,0.006696428571428571,0.0037986704653371313,0.006666666666666669,0.004132231404958678,0.29469582306763725,138.67059387797906,218.15257722615655,277.3411877559581,13.206723226474198,138.67059387797906,4.440892098500626E-16,2.114710523095536E-17,-74.23606303797015,2000103.0054085103,95243.0002575481,30.46828940379474,52.60000000000001,332.4761867411791,5.392317422778761,4.418840607796598,5.10594547390058,5.82600010738045,6.529418838262226,7.256297239690681,7.9658927350845286,8.696008608880904,9.408617295560266,10.140415658820954,106.34743656537718,3.713572066704308,0.0,4.8283137373023015,0.0,6.07993319509559,0.0,7.395721608602045,0.0,8.748463629942055,9.053686561930807,300.2300595040009,5.664718103849074,40.469741728660416,1.9271305585076388,10.904041827698745,10.904041827698745,0.0,1400.0,20.0,5.055,82.0,1.2462692307692307,2.144921370708334,2.87071317582951,3.6576199240037366,4.926476476139372,5.933289440904807,7.157053735757254,8.208847715242358,9.494379288041207,10.61980957253516,96.54794415242313,102.55389257863685,104.02174294036853,150.11418877477482,189.20168795252,238.3778517332301,234.7344629582045,253.0039601384698,291.2082998936041,368.38534080205125,297.9842381325637,345.8160996058178,371.34677609514455,519.8112350160716,678.055914586571,866.7555826632922,936.0705830053786,1013.4580210906095,1153.4756876515003,1277.9082662448945,9.486478405384618,16.169770680527545,21.304266480803136,27.776125293281563,37.535076495414636,44.73854509993903,53.64470822742897,60.24676720766818,69.91989584696435,77.72578692657837,2.108120372787691,2.657920559836632,2.9294530238283296,3.981419539172382,5.213482042857492,6.729102753100794,7.521996253387679,8.326984994334568,9.452837242825886,10.671169126810184,180.0840499824605,335.33357738669724,473.95708050469045,593.9167900444074,810.2820706963582,952.9794233548245,1169.4016058886202,1349.594579158409,1567.705176122321,1749.3981721424796,3.1967532051282044,5.4397296083869415,6.155826816035657,9.040333294273475,12.2652494896706,15.112633069893914,16.892006720523497,16.64038583532206,20.01447907470827,28.76263834067689,0.4676114423076921,0.6103546885954002,0.6853628333703097,0.9457848752107381,1.237167261881991,1.5649729363378047,1.7481340104510008,1.9110195147628737,2.1876299590021584,2.4285785063976646,729.0567098482747,1243.7689256110768,25.591589540216635,237.1615783130653,-404.59706010531914,-31.197137691317177,491.89513153520943,1648.365985716396,56.78872723153381,0.7545465851568897,1.2872545892066485,0.026486343566230787,0.24545341484311028,-0.4187429125102206,-0.032287877463677075,704.4279261621388,1201.7522821722036,24.727061836875773,229.14985421529153,-390.92907881007227,-30.143244975638105,0.15325315266942705,0.18499991700604718,1.1567051960042067,1.7070223815645018,871.6134469136117,94.60484124772837,0.902087507132828,0.09791249286717202,1544.458596135429,39.299600457707314,11.559137328553957,1854.4437507526343,43.063252904914584,12.285831506956407,2867.0746059541675,53.54507079044875,14.206256923160234,4.861550658188523,4.861550658188523,12906.10949336436,12763.064239072311,193.06698140181652,1.01120775165059,66.84783384323907,66.10692385825133,8.143339292733081,11.529527389143688,22.995429173553664,0.9944815079936735,8.951269825095393,14.277080479598023,7.639676569810636,59.3402472642696,17.94362785684858,3.323473790853377,17.64058486656878,17.34744415441888,35.258843113975495,3.9935983225128373,11.963144277738463,24.302056071803822,6.721665125884369,18.554891255886936,3.391060555322544,26.29655071182191,9.561018321485012,4.790368767936174,2.585432562812665,1.5653199235038342,35.70489555737907,6.628526590140215,9.107642867550508,0.21287055434353652,0.8050845482313688,19.287122504422918,8.152904449650455,9.52829660980452,0.0733027892018275,4.164330817928812,0.7842330898335601,14.578837578090724,0.6851376779843167,15.501066747429974,0.2663304050021509,3.3771876255992477,3.3006132080672437,1.108094911873527,8.73799856384075,0.43259260206552225,9.514604057799689,3.3150960989941995,1.2922978433758616,4.156853084175561,0.027025354280073854,9.422502978467529,1.867008571118766,1.384072266275861,1.8984760687836864,0.016734826718954085,10.489208830827325,0.32919620835086466,4.615939299398643,0.007167720441182968,0.049845570185384866,4.321005397159867,0.3645137346983522,3.9743708201317802,0.0057390825207115775,1.285644953958074,2.4367651377169555,14.016684451614555,1.6679894178032832,17.579790931741428,1.4537270367051158,3.0223988631248666,4.651678019363634,2.6850213337604782,10.314968543386588,0.7574474012047672,9.312870928458063,5.072931974484768,1.789548468563469,5.480065084156529,0.2569559906416978,11.2290447159902,2.209676154646571,1.7295415185485874,1.1471980224636151,0.12955552677466234,12.90595260321828,1.210879322604206,3.8731678399967233,0.021348196575144432,0.13455810439903482,6.424111746478574,1.3873418623224834,3.8950941098883285,0.013645358484175672,1.7827460610285968,8.459498737409099,14.578189137325522,8.184294834841953,57.90425141867436,16.313427432517095,3.5031996071498113,18.773926998982787,16.865632862437455,35.614554326511076,4.967785254546575,12.210829646624305,23.35953170263214,7.176458247215207,18.420771766843757,3.023537141089673,25.620756950297856,9.65238077214816,4.460475363668794,3.0175650788007182,1.3986034425709222,35.11050109977007,6.1003048655605205,9.946871955181388,0.19260730622937522,0.7414276184939946,19.25472932705545,7.47555971880864,10.354274853787647,0.07034115522523748,3.9912822858674857,3.5761799830198227,13.803096102984755,2.190285948791405,20.549116128179087,2.9148990214975457,2.8962900912416916,5.579443326891078,4.0056538587974755,12.048186512114334,0.7614937235889404,9.415012835631055,6.971913719456522,2.058216184181831,6.681558630108911,0.5504119224836269,12.979523673159639,2.7192082927821266,2.070527555799636,0.9399583532775926,0.26736100480549096,15.642324650393572,1.9362169755014815,3.9652908874427393,0.039266937334567764,0.2136316839942046,7.987902639117393,2.2578143757254536,3.9950656996192686,0.020221311158928196,2.148359717536866,10.810000722959233,14.468104842227419,10.244084486090927,79.79773205218062,26.145581173815913,3.512506990557278,23.312713313028045,24.252721701802642,46.87132574366487,5.832402337581955,12.884647380270609,32.39638616155242,9.254934994280926,24.169170778268647,4.935296313194618,31.831128155283388,12.834151908059848,6.158921408639986,3.4150740250131464,2.2642480634579947,43.76707240070489,8.747638544618177,11.69226426707404,0.3052139480033997,1.0861935547765198,23.872994624465502,10.88862557651445,12.260110545532346,0.09837035745945279,4.948017728545184,5.832921879568146,14.79498749708044,7.168430518800535,51.911918852381376,9.375451765642499,3.7726244228663592,19.305464984029413,15.455770742201054,38.89059105040107,5.4774611389198125,12.330789927336651,22.073522265689753,10.388720623884854,18.89806810747231,1.3692830651897865,20.138569625118706,11.818494349426068,2.9718266954242,8.882818194528003,0.6431827904299522,33.85513674966703,3.3996719150760315,14.720430775664436,0.10504328191502772,0.4148433863366389,20.953380321790483,4.07412163608403,13.196961029608492,0.059106779088338106,2.9604156191044524,48.509898209550954,0.8636205989435659,0.46823909999999985,0.9732782358642174,0.017327249984422786,0.5537493197869249,0.5900783988068645,0.566027549888679,49.84175790849452,65.01275935714635,134.47099511439774,0.9599173537963261,1.7098552684824684,42.428556327540576,0.5798287094897354,0.08326217860663902,0.9846120784202524,0.013455710026311763,0.4236127708271659,0.2659860919484105,0.017897721986335876,43.09164721563695,28.182266897446716,73.32227153639981,0.9769181176303785,0.7074965847619124,45.670384496814215,0.6192473916086811,0.23566592577629344,0.9816247642132435,0.013309907097890542,0.49081950937721885,0.30338359798472275,0.14338238648867838,46.52529781419919,39.19015542624677,92.38038408602999,0.9724371463198652,0.93758549385062,47.90187369449218,0.8695616825319732,0.44595065654663624,0.973271389541466,0.01766777459369443,0.5399548959834519,0.5982249547656989,0.5134236057631125,49.21738603357079,63.40328751332245,131.19613892600478,0.959907084312199,1.6516034565122633,47.05923999954234,0.6607894459174446,0.31259971352491916,0.9797348349135645,0.013757095072399158,0.5211254672503656,0.34545367351055445,0.2522779936953425,48.032629158984705,46.01351665864507,103.76682438567725,0.9696022523703467,1.1188571344562626,48.73685794329404,0.90154686900242,0.4955133314688753,0.972133432769706,0.017982772988480986,0.5589430145859765,0.6430435255214445,0.6338885453066786,50.133918143765335,68.53505302113413,140.44111424478615,0.958200149154559,1.8358750854140995,48.02366063276855,0.8840506003946409,0.44935748971181955,0.9729844554263718,0.017911327055468333,0.5427039773951136,0.6183266162190865,0.521298153491137,49.357068722875006,64.43239236283227,132.8670887961004,0.9594766831395578,1.682328747105337 +UMLCN0365,L,dibutyl malonate,CCCCOC(=O)CC(=O)OCCCC,Esters,,C11H20O4,NREL (2014),CFR,PubChem,,21,0,-1.1735999999999989,1.3773369599999974,50.00080000000001,35.90385999999997,0,0,35,15,20,0,11,0,4,0,0,0.0,0.0,0.0,0.0,0.0,2631.0986149999985,2549.2386620000016,3115.6982230000017,2891.226269999999,3073.805838000001,2393.8732679999985,2293.8845389999988,1797.5464239999983,1516.2205109999977,6145.923915718655,7499.244553859935,9388.01856984848,9341.651398825627,8419.572020430442,7635.075479752471,7232.0541388239535,6367.105494173913,5241.23029863715,270.72182000000015,262.88007200000004,478.44401200000004,583.8730800000002,505.5120239999997,448.40947199999965,393.4249879999999,384.75903999999997,345.66869999999994,42.14297409698004,52.61812620000001,70.17011700703695,70.81247198777196,62.331952804980055,56.82608691698005,51.99845665079203,47.60041262279202,40.70563070558404,5834.896100684981,4996.865773468001,9916.86604921184,12756.114390576573,10664.46789714798,9680.98267788288,8011.790146319992,7948.677686792293,7577.628695867785,171.80555555555554,98.5,183.94444444444446,201.66666666666669,257.41666666666663,163.0,179.41666666666669,164.33333333333334,128.75,75.1742461428571,74.9776077058824,50.253197145161316,38.04245092105262,48.02821621875002,41.27367703448273,46.81397018367345,37.4488838333333,33.69378913333328,175.59782616339012,220.5660162899981,151.41965435239484,122.9164657740214,131.55581281922565,131.63923240952536,147.59294160865213,132.6480311286232,116.47178441415888,7.7349091428571475,7.731766823529413,7.716838903225807,7.682540526315792,7.8986253749999955,7.731197793103442,8.0290813877551,8.015813333333332,7.681526666666666,1.2040849741994297,1.547591947058824,1.1317760807586605,0.9317430524706837,0.9739367625778134,0.9797601192582768,1.0611929928733068,0.9916752629748338,0.904569571235201,166.71131716242803,146.96664039611767,159.94945240664256,167.84361040232332,166.6323108929372,166.91349444625655,163.50592135346923,165.59745180817276,168.3917487970619,4.908730158730158,2.8970588235294117,2.966845878136201,2.653508771929825,4.022135416666666,2.810344827586207,3.6615646258503407,3.423611111111111,2.861111111111111,0.5501379712950725,-0.2729007263620364,0.1201998985685439,-0.39708193050866814,0.37662532368922036,-0.039360191756300095,-0.05124474364319791,-0.02416352003436499,0.07267367852562867,1294.648879885715,12.505072339590953,14.306170002448518,138.13164127673474,283.9557717518365,92.1662169893877,-424.63207606857225,-674.7316761861234,-69.482728653061,1649.1300985402079,-193.98225206077257,-435.6263147038717,286.5686938463667,19.70254509712143,317.13034311465276,-311.7830268734158,-498.53490523047367,11.012881810765435,3.7634701714285734,-0.028889652244897344,1.3585713534693873,-1.0628490579591832,2.553046086530619,-0.9783997126530608,-1.6221112685714245,-1.897166406530606,-0.7686970775510202,7.31504209413428,-1.619596532652717,-2.538665649030584,0.6072664685741174,0.152340136795019,1.2002435478477538,-0.8801544453691386,-0.9400265335064477,-0.015474999126370514,41.35276825613419,-10.148673502653194,-14.175522710230812,1.5686824183742578,2.164823067366504,5.6456207250335195,-4.622943095740639,-3.6831436811492924,-0.5687683862119807,72.90952380952379,-0.4200453514739215,19.019002267573686,-13.351156462585063,40.99004535147392,-16.029433106575993,-28.405079365079366,-39.59020408163265,-6.326530612244898,0.015718227751287783,-0.0080264919518246,0.0019387080414281276,-0.005224762243535107,0.005884770682644068,-6.786239957982775E-4,-0.0010458110947591409,-5.03406667382604E-4,0.0016149706339028593,36.98996799673471,0.3677962452820869,0.23074467745884705,1.8175215957465098,4.436808933622445,1.5890727067135813,-8.66596073609331,-14.056909920544237,-1.544060636734689,47.11800281543451,-5.7053603547286045,-7.026230882320511,3.7706407085048252,0.30785226714252234,5.46776453645953,-6.362918915783996,-10.386143858968202,0.24473070690589857,0.10752771918367353,-8.496956542616866E-4,0.021912441184990118,-0.013984856025778725,0.03989134510204092,-0.016868960562983808,-0.03310431160349846,-0.03952430013605429,-0.01708215727891156,0.20900120268955086,-0.04763519213684462,-0.04094622014565458,0.00799034827071207,0.002380314637422172,0.020693854273237135,-0.01796233561977834,-0.01958388611471766,-3.438888694749003E-4,1.1815076644609768,-0.29849039713685865,-0.2286374630682389,0.020640558136503392,0.033825360427601626,0.0973382883626469,-0.09434577746409467,-0.07673216002394359,-0.012639297471377348,2.08312925170068,-0.012354275043350633,0.30675810108989815,-0.17567311134980346,0.64046945861678,-0.2763695363202757,-0.5796954972465177,-0.8247959183673469,-0.14058956916099774,-0.510648660830544,0.12334138887059265,-0.3324014848370578,0.37439148838913683,-0.043174332789692425,-0.06653492437615674,-0.032026935564752855,0.10274508420776292,0.00994313499580627,0.006238033984760842,0.049135527662715235,0.11994627662327538,0.042959558841842105,-0.23427867623076337,-0.3800195210167554,-0.0417426864730186,-0.12108663385154542,-0.14911987907982635,0.08002547822909148,0.006533644228266797,0.11604406404654416,-0.13504220331044434,-0.2204283551586783,0.005193995761334175,-0.007902108039790917,0.20378411586653644,-0.13005814809379976,0.37098662005376026,-0.15688011138940913,-0.3078677001132267,-0.36757312845575046,-0.1588628254053512,-0.22791826804748894,-0.19591380154149568,0.03823111143805658,0.011388999712876663,0.09901308703938734,-0.0859436950057148,-0.09370226516738016,-0.0016453918209538287,-0.2526351763219707,-0.193513313493863,0.01746967773240807,0.028628980958014617,0.08238481331143478,-0.07985202322588128,-0.06494427614140791,-0.010697600914119844,-0.0059306329807737685,0.1472583138273628,-0.08433135447854848,0.3074554582217578,-0.13267037371523918,-0.2782810988676054,-0.39594082685650844,-0.06748960442383474,1.5443549699443726,0.9256424359160789,1.4280026296644166,0.867484254043009,1.3678224302016007,1.6571933922966773,1.3747181656286658,0.9931883041041893,0.9719797711570133,0.9798089760326051,0.9480988377717203,0.9283822694264803,0.968925882695602,1.3322240757831125,1.4742324033332883,1.0377499754620212,1.4277952722848497,1.2127914947491083,0.8449902540955103,0.9274680440119858,0.8252465277802613,1.106656348841963,1.1507575314202887,0.9064935602908899,0.7202267791513023,0.7409251436582769,1.227440325607281,0.9064112958560064,1.2931918532171656,1.74303201056109,1.8364451827296322,1.2700733584360007,1.6848180352062048,1.3039166840067795,0.8680700790457208,0.9187441179975663,0.8336728420216786,1.0839961320767546,1.035393692042045,0.8908523769327714,1.7253036515011693,1.3086334149131595,0.8911532651721714,0.9154044861221335,0.8564168686890496,1.1054562764593878,1.0332731080272648,0.9023652173444884,0.5600548625171448,0.5183549250907529,1.030667379375223,0.9759765582478831,1.271691076282772,2.086595071703818,2.244219841943701,1.1822364458377785,116.02612403064725,58.51306201532362,89.56253385057113,116.8927906973139,7.792852713154259,58.51306201532362,0.9999999999999858,6.661338147750939E-16,4.4408920985006264E-17,-52.41756165067357,2000059.9649258005,133337.33099505337,21.763031580806484,116.06852224701115,58.53279228170296,89.59396245290439,116.93264292121995,7.79550952808133,58.53279228170296,0.9970623163947749,1.1102230246251565E-16,7.401486830834377E-18,-55.10520085451565,2000059.9725530015,133337.33150353344,21.76303158652671,153.6442823785149,76.02415223314134,117.61157700232644,152.26110152124696,10.150740101416464,76.02415223314134,-1.5959779122322146,3.3306690738754696E-16,2.2204460492503132E-17,-53.45728242151349,2000067.3446237827,133337.82297491885,21.76303711540382,116.11301994550172,58.55349957318869,89.62694794252813,116.97446858626061,7.798297905750708,58.55349957318869,0.993979200875664,8.326672684688674E-16,5.551115123125783E-17,-52.082846323702256,2000059.9805604462,133337.33203736308,21.763031592532116,193.46123122497812,94.56602708381075,147.50681856525668,189.70927777526902,12.647285185017935,94.56602708381075,-4.329177057356603,6.106226635438361E-16,4.070817756958907E-17,-52.54807871615802,2000075.738236565,133338.38254910434,21.763043410388228,120.4661955179687,60.579366130740944,92.85675245535806,121.06639402901345,8.071092935267565,60.579366130740944,0.6925367435131875,6.661338147750939E-16,4.4408920985006264E-17,-52.41756165067357,2000060.7758873308,133337.38505915538,21.763032189009273,107.25217611632415,54.10704396416193,82.45922269995636,108.5945010793274,7.239633405288492,54.10704396416193,2.4780663780663588,3.885780586188048E-16,2.590520390792032E-17,-53.226056401772595,2000058.413898293,133337.22759321952,21.763030417570278,0,11.889999999999999,15.997925709672558,-0.3162081290377592,0.2724312320033986,4.242253906249993,7.098426218006266,14.0,34.0,32.0,32.0,12.0,2.0,2.0,0.0,0.0,2.0,27.612139999999993,3.622163381549048,3.4142796325595204,3.298404973997561,3.064967258055208,2.7218515511205776,2.612598000473188,1.9994871801980565,1.9446682422846888,1.82646571739881,1.8167348247175539,1.6069134511481105,1.4038068060369904,1.3567772563267175,0.9301899816951078,0.8921063490117731,0.6357182747424852,3.48971496543395,3.3905248072725285,3.2992270940121875,2.899900939337835,2.728724150708832,2.528258277732136,1.9971797051845346,1.9332971287925507,1.8054975701169282,1.764775877760498,1.6397000972316076,1.3709350037047934,1.278255747567557,0.968507561420552,0.7880697600839559,0.6953365254195495,3.6835568556036735,3.5566196741378526,3.45771966506051,3.169152903822587,2.96283020878167,2.7980854012579086,2.3485987009399416,2.28851620055522,1.59098642318425,1.551518521809855,1.4258315371881918,1.063788803584467,0.9766575338784041,0.6378761821047976,0.3632815416254199,0.28629359126990894,3.468241492281598,3.4044608205350517,3.30276439006064,2.874783218127743,2.755009832911849,2.489684985716527,2.0333282735749383,1.9688824358641062,1.8154343182318091,1.735695621203579,1.6313864199184709,1.367731687092828,1.2282125118292897,1.0079862011715557,0.7207652431996893,0.6525467500120938,3.690490916454893,3.6101234021046427,3.507773295425374,3.1938672684569873,3.052635081633209,2.8256958043042033,2.4755964941755892,2.4092820221789584,1.5613376329306285,1.493910982939548,1.3903963169500362,1.0120505897712888,0.8872891300317105,0.6303380709401207,0.23382922950153354,0.16747641223728502,5.057024152919264,4.965812842513748,3.515487524916954,3.50882233350158,3.1596927689764382,3.1284147696094653,2.67023373876462,2.45111466142969,1.6497016984953254,1.6434886464861038,1.337334956714329,1.1007073297065522,1.0688656307645488,0.5463746988418495,0.5269445950847048,0.17860926391150478,0,0,2,0,0,4,5,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5773502691896258,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.7415816237971964,1.093412988719178,1.0576775358252055,0.1422588984322123,0.14870475419801446,0.12707094928232893,11.518661569058182,7.201907262607799,5.437609523003316,3.405691485428264,2.4081875439756115,1.3505100081504064,0.9540937719878058,0.4023689270621826,0.7679107712705454,0.5144219473291285,0.3625073015335544,0.24326367753059028,0.17201339599825796,0.11254250067920053,0.08673579745343689,0.05029611588277282,9.582740630161286,5.515167193676994,3.324823837398154,1.8105564710377944,0.8805968053366827,0.46082732199428766,0.2856756303964263,0.1135310363079829,0.6388493753440857,0.393940513834071,0.22165492249321025,0.12932546221698532,0.06289977180976306,0.0384022768328573,0.02597051185422057,0.014191379538497863,19.27747445552614,35.201019664967234,33.65098039215687,34.19999999999999,20.90650299401199,269.6433293413174,0.550784984443604,1.0057434189990637,0.9614565826330533,0.9771428571428569,0.5973286569717712,7.704095124037639,2.0631000000000004,56.35100000000004,66.91821489153786,102.00539145625413,133.83642978307574,8.922428652205049,66.91821489153786,5.551115123125783E-17,3.7007434154171884E-18,-56.14492162535557,2000062.3793457,133337.49195638,21.763033391566022,246,0.0,0.0,4.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,31.715072908793147,-0.9908361678004529,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.4192417800453514,0.825,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.013587907002409,0.0,4.09550868533823,0.0,0.0,0.0,0.0,0.0,0.0,-0.9908361678004529,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,22.075847663139328,9.639225245653817,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.8196126228269085,-0.49541808390022646,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3041386763038549,0.825,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0067939535012047,0.0,-0.27040816326530637,0.0,0.0,0.0,0.0,0.0,0.0,-0.49541808390022646,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.037923831569664,4.8196126228269085,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.037923831569664,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6284027777777779,0.825,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0067939535012047,0.0,0.9664944727891157,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.037923831569664,4.8196126228269085,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,38.83333333333333,2.5888888888888886,0.825,11.037923831569664,0.152523935500126,-0.49541808390022646,3.8476130618179316,2.162084750566893,4.037923831569665,21.45732163159111,2.162084750566893,4.037923831569665,21.45732163159111,6.83332,0.45555,0.0,0.04445,0.55905,0.90445,0.42766,0.55905,0.90445,0.13139,0.0,-0.13139,0.0,0.50368,0.21061,0.0,0.2439,0.14634,0.0,11.5,0.76667,8.5,0.56667,3.0,0.2,-5.5,-0.36667,0.0,0.0,13.18563,0.87904,20.52002,7.33439,0.48896,5.08676,0.33912,7.20189,2.11513,0.14101,0.21211,0.01414,0.21211,0.01414,0.0,14.04,4,4,4,4,0,0,0.8181818181818182,1.3437884540090375,2.1453241055807593,3.200432302535625,3.5432894453927677,3.543289445392768,3.543289445392768,47.03259589031631,75.08634369532658,112.01513058874689,124.01513058874687,124.01513058874689,124.01513058874689,0.2619836826257652,0.4182502892691868,0.6239531513396239,0.6907962445603506,0.6907962445603506,0.6907962445603506,3.785494562935929,2.983958911364207,1.9288507144093412,1.5859935715521987,1.5859935715521982,1.5859935715521982,0.2599241678813804,0.4149623263359244,0.6190481103000072,0.685365734397357,0.6853657343973572,0.6853657343973572,12.482979808319332,22.557969298037143,23.621333750396637,25.2231223291395,25.2231223291395,25.223122329139496,55.30863743323901,34.73460933874125,33.92070485829532,29.968057962421117,29.968057962421117,29.968057962421113,15.0,10.515555555555556,10.285714285714286,15,3,4,2.23,1.807300000000001,0.08333333333333334,3.1322125263061733,0.6761234037828131,0.0,5.484657876824658,4.48672145903185,0.0,0.4999999999999999,0.0,0.0,0.25,1.4142135623730951,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.7630000000000001,0.7480000000000002,0.989,0.12,6.443,15.0,14.0,14.0,12.0,11.0,8.0,7.0,4.0,3.0,117.0,2.833213344056216,2.995732273553991,2.9444389791664403,3.091042453358316,2.833213344056216,2.772588722239781,2.3978952727983707,2.302585092994046,1.6094379124341003,1.3862943611198906,4.990432586778736,1.2478632478632479,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.7142857142857143,12.0,0.8571428571428571,0,6.0,12.0,1.0,2.5,0.8888888888888893,0.75,0.40000000000000024,0.27777777777777785,0.12244897959183672,0.09375,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.17857142857142858,0.05925925925925928,0.05357142857142857,0.028571428571428588,0.023148148148148154,0.011131725417439701,0.01171875,0.003527336860670193,0.005000000000000001,0.005509641873278237,0.3869535917175257,66.91821489153786,102.00539145625413,133.83642978307574,8.922428652205049,66.91821489153786,5.551115123125783E-17,3.7007434154171884E-18,-56.14492162535557,2000062.3793457,133337.49195638,21.763033391566022,52.60000000000001,228.70027898597786,4.906890595608519,4.07753744390572,4.762173934797756,5.501258210544727,6.208590026096629,6.961296045910167,7.6783263565068856,8.438366410870266,9.160414563206457,9.924710738987654,91.71267373082625,3.367295829986474,0.0,4.48863636973214,0.0,5.75890177387728,0.0,7.104144092987527,0.0,8.494743062578646,8.787525625532906,216.13615912,6.175318832,28.470559232862406,1.8980372821908271,10.881213204746192,10.881213204746192,0.0,480.0,14.0,3.0429999999999997,58.0,1.244470588235294,2.135765244621788,2.867942236603743,3.6832329423231265,4.878527113706627,5.88536347320127,7.120256255530154,8.116413356747122,9.359311439380006,10.426194176834287,104.13250855588232,117.1648427590782,123.27471621644298,202.377652054712,224.32384551483383,307.8614828212016,291.03385934795466,302.67105609210694,261.3110888648182,229.91526309949342,296.84296136656724,343.3175187268263,381.66091920551844,543.7878051659877,695.4020730427924,942.7364981353561,998.9093882650676,1010.0648822244164,1178.4747882899253,1239.6531670045317,9.68613379058824,16.597709829668634,22.1303377127836,29.28371150239152,37.94533852300945,47.25164091913287,57.09796417364316,62.64365154337077,73.76352343183005,73.28898847202474,2.0371998053117637,2.5200076994536085,2.821524417389672,3.9307739386689398,5.066674181920096,6.685252735542511,7.37515079322899,7.695583399150655,9.323105921466963,11.104733017018912,181.19467723188333,338.6590998138879,477.8457917506089,602.8252155434113,807.2025551534518,948.2656847463668,1169.6262142848893,1355.1775158569603,1562.6856505517665,1677.7297063336546,3.695196078431372,6.625635448997809,7.7797147010585705,14.54215185818976,13.986632896043307,21.480169526343406,24.336041587597833,23.78253766042291,26.032156703235316,15.911216979349847,0.46971264705882354,0.6105024779036557,0.7064538240924596,0.9905866340225649,1.2576490275788388,1.6863861892633596,1.8715299124389206,1.9319430382285097,2.2576665012975448,2.374595485969998,546.3001859125263,796.2253433178746,20.87969048555924,241.5043965514172,-351.9894849307594,-30.498337882148128,304.79578936110914,1148.214828248634,51.37802836770737,0.6934463166029242,1.0106888954968936,0.026503641829875833,0.3065536833970757,-0.44679796584817316,-0.03871307499476748,430.37778986279255,627.2699741397483,16.44911584495237,190.25827028839586,-277.29892920757544,-24.02673034108998,0.1861686493816662,0.2162682473493203,1.5456547833054777,1.9955400230528215,699.6752590798875,88.12932338405595,0.8881330150322023,0.11186698496779748,1171.9691812585293,34.23403542176308,10.543190746216654,1365.7099028942828,36.95551248317743,11.094800212852276,2200.7400896777444,46.912046317313255,13.007372720618582,3.5241857698406527,3.5241857698406527,3888.427951982993,3754.711963218848,163.7623173608563,1.0356128486216858,23.74433883598935,22.9278140644847,6.235198634818007,7.784677824757081,15.564119088322796,0.9993273246100549,5.604463183862685,8.58597663333824,5.955299270364106,31.81797222483922,7.769227790946119,3.2728078719223634,12.706626345987186,16.65020667432064,11.48731633254479,3.8613000244252333,12.331481950452835,7.83317547933941,14.236548750008405,2.6148169199170654,3.338824776372474,7.816218096690889,3.057003715241182,15.09333781172552,2.631364958213912,2.784686937739688,3.02618879572846,5.46652853260698,6.56068343590316,5.3036943240249785,4.517953799789796,0.5429578850910377,2.9045390169164165,3.8850053236146005,0.8683751288451943,2.978084758704073,0.5033588000617041,8.887986363950983,0.5602927709197059,11.255570441308913,0.2854001367917339,3.309794652797142,4.27833975045741,1.850726697050062,3.570530257535759,0.43176556926216064,6.404246206750177,1.760056453575917,3.979128268776447,1.2557019859573666,0.12522646449475888,1.9698315683724439,0.30844833912381664,3.4037921564477602,0.2941503454772147,0.7253267377582211,0.028308576608126076,0.12239206653399701,0.7674398190035762,0.1564218142527461,0.6478172006680796,0.005857964254500462,0.050426320514123976,0.028406887603946572,0.07287670701220594,0.020974894459502486,1.53006869165363,8.32581588362379,1.2540938221361466,10.62352342608317,0.7512463722851704,2.9861088234893605,3.437782384232581,2.746983365710399,2.9655160182575897,0.7477876456865904,7.180014338356325,1.699882638652329,4.47722527003899,0.9249105083750075,0.34418169573895735,2.3870604746160202,0.7878251624654714,4.513971230275235,0.5095559774755938,1.0280148454570297,0.24004363054410213,0.6132676806932426,1.6526088274060615,0.6951684924457077,0.9175570636233641,0.04507470758303991,0.2845773033981739,0.286112447281173,0.2352548940446193,0.21857457199664765,5.3003862778037085,8.88711286071472,6.6057503890447835,33.31553861370569,7.2889985996436,3.4358698107049683,14.411263836154978,16.49562034704012,12.645320982735415,4.849943418065243,13.224549673193533,8.632464889349949,15.82314719715483,3.3109885018639837,2.9885079699109336,8.18470095859649,3.0475173604766996,14.741415052361797,3.305076097381162,2.616986212876493,2.7010845541505306,4.927112491286317,6.1008306795814224,4.807481163957151,4.0969840072355845,0.4851658811971478,2.606547781667528,3.4615845990362772,0.8196752853821568,2.6534199039299167,2.2398762460524972,8.112205463348525,1.5692713523600952,11.427943369058148,1.3123458564136958,2.8718199541552027,3.5725772424747473,3.882285012801213,2.944472231856651,0.7404273795554294,7.494916487646239,1.7854340830097524,4.792951726091216,0.7482915822056802,0.6242968998638396,2.667797645874592,1.0991490044476784,5.612547014248038,0.5045594387645498,1.270739759122159,0.5042196465556231,1.1283838647591296,2.3485406114684517,1.217001251203634,1.2571943136044188,0.0929039783322008,0.5487719588347292,0.6202412401996362,0.3467224290066927,0.47477317775967265,6.768247009221068,8.776885175133938,8.15609344693842,42.301842121292225,11.293762098233612,3.4512872404125736,17.290188036176723,23.258823436774097,15.919668569696107,5.639438348134868,14.725616703496234,11.066367511809498,18.96397723566423,3.5972422381224334,4.813869168134396,10.63741727720274,3.839618789516045,19.298234101948793,3.843131656420209,3.4528729402680156,4.390652571548306,7.704739359578926,8.38275170295635,7.346574694127534,6.285582242228379,0.7852203821333364,4.147824017467348,5.665432349754292,1.0486887292691178,4.343256735480135,3.6191049565848727,9.152675214082622,5.876851042193517,51.29434273196164,5.375649491017603,3.5875366852862505,23.01189014424526,15.311191622199543,21.071521845860982,5.141944420587079,12.88442253837373,15.00875636088772,17.61253945255105,7.809385145279783,1.3277415700669117,7.766299933061157,2.4487888858659597,12.020957400782065,3.5040015615061857,1.6432814303887575,1.1799520011092177,2.2853086608551103,3.4524387433776274,2.3125214468884185,2.2036967271527157,0.21361343060629662,1.2397261450375803,1.4793290797184717,0.6607812134937087,1.1330716402231586,24.630440291511775,0.9049931962072115,0.4259005800000004,0.9487355398325974,0.03485927163244296,0.6098247869854452,0.509895730029657,0.5142719026079419,25.961334067718987,33.16593681637708,68.62075703075965,0.9231033097488961,1.6339924196230442,17.30435113520389,0.738481334494538,0.06947466657295978,0.9553918782964156,0.04077235047630505,0.30100411086615214,0.339505515286846,0.013684510793992811,18.112307136271387,14.032460088751515,33.032579842833364,0.9330878174446232,0.6541941369469909,21.6016571487729,0.7002033904355223,0.2094871705023384,0.9595896890462295,0.031104463378417553,0.46906706174367435,0.3052384316625712,0.12442028617505772,22.511347709710762,19.797507235893047,45.477464366227565,0.9393845335693443,0.8987257795813033,23.653256618648932,0.9248371886375342,0.39971964802714605,0.9469706650250083,0.03702634701360501,0.5623965827245051,0.5325022584921507,0.4529886565209838,24.977813455313612,31.699758359140148,65.42160354104924,0.9204559975375125,1.5478874977376396,23.484676221268444,0.7106906651352602,0.28468818372983945,0.9593391907814989,0.029031416109938646,0.554408469195594,0.31444992659519067,0.22978158326690043,24.480055070133545,23.57847521774687,52.810072915053865,0.9390087861722483,1.098639979057685,24.774438255036078,0.942217603479321,0.45015212961272,0.946788705228251,0.036008121583144766,0.6169761294338358,0.5527048406237651,0.5745065074425261,26.16680798812812,34.91931924143465,71.5939887057937,0.9201830578423764,1.7441874775001271,23.820999459342286,0.946156294643945,0.4036419045949897,0.9463744368554501,0.03758944422332924,0.5704016344829943,0.5573352827452281,0.4619221922039579,25.170797658581222,32.535450503106475,66.80368625589908,0.9195616552831752,1.5896591094321804 +UMLCN0366,L,dibutyl phthalate,CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC,Aromatics,Esters,C16H22O4,BioCompoundML (2016),Unknown,PubChem,,38,0,-0.19619999999999946,0.03849443999999979,73.9672,46.037445999999974,6,6,42,20,22,0,16,0,4,0,0,0.0,0.0,0.0,0.0,0.0,3354.4513479999987,3439.0375640000025,4461.487600000003,4809.0983300000125,5047.9266340000095,4742.190080000009,3741.616988000005,3342.1295290000053,2840.853646000004,8325.67591332717,10269.819197096958,13627.533406643599,14525.2129731178,13729.999021326004,12786.243101073851,12656.575849011679,12597.824915051995,11189.00063651596,321.86132799999996,322.3584320000001,568.0607200000006,699.8951120000014,682.4659600000009,619.3510880000008,524.6484800000005,621.8501800000007,583.5107440000007,56.97669990667803,71.57861481999997,99.27978134218786,106.67216991431876,94.46929179867789,87.33013371103694,93.22483066739592,96.74985044218789,89.18008276558389,6838.703185183478,6063.877005433801,11485.587792849185,14988.346772589117,13993.02272096268,12236.683510063946,10428.7374950806,12891.948453957291,12446.375429033185,193.1111111111111,125.49999999999999,225.88888888888886,249.94444444444443,310.99999999999994,351.2500000000001,216.16666666666663,234.74999999999994,194.3333333333333,79.8678892380952,81.88184676190482,60.29037297297302,51.71073473118293,58.6968213255815,63.22920106666679,55.02377923529419,41.260858382716115,36.42120058974364,198.23037888874214,244.51950469278472,184.15585684653513,156.18508573244947,159.65115141076748,170.48324134765136,186.12611542664234,155.5287026549629,143.44872610917898,7.6633649523809515,7.675200761904764,7.676496216216225,7.5257538924731335,7.935650697674429,8.258014506666678,7.715418823529419,7.677162716049391,7.480906974358984,1.3565880930161436,1.704252733809523,1.3416186667863224,1.1470125797238575,1.098480137193929,1.1644017828138258,1.3709533921675872,1.1944425980517024,1.1433343944305627,162.82626631389235,144.37802393890001,155.2106458493133,161.16501906009802,162.70956652282186,163.15578013418593,153.36378669236177,159.15985745626287,159.5689157568357,4.597883597883597,2.9880952380952377,3.052552552552552,2.687574671445639,3.616279069767441,4.6833333333333345,3.1789215686274503,2.8981481481481475,2.491452991452991,0.5821049801459729,-0.34095047157000535,0.0470210570429377,0.07954020403687148,-0.24601606234797296,0.2884910027753781,-0.04121075464909771,-0.10182514388687225,0.011704452552351911,1509.7463693333343,42.94012533333564,81.80553022222384,811.3715713333333,373.2752122222232,-82.66764266666448,-675.5890431111084,-929.3458603333313,-634.5199539999987,2114.117228459054,-98.81960974639134,-156.0581769234746,752.9539027423785,363.3002648306652,299.73853727067086,-835.8189844890621,-814.2240958060191,-863.491732139335,3.8181904761904724,-0.01055009523809474,1.3583082086167793,0.18228337414965906,-1.2276681179138305,0.9801764353741557,-1.0488249614512446,-1.6972783945578236,-0.7282946938775513,9.621171579941905,-1.0557588986666524,-0.7806556295159168,0.8421901245097848,-0.4111864059003758,3.5713990014611716,-2.973821833204025,-1.643697875952573,-3.225413047578485,54.28957477537042,-6.834123177691172,-3.7304288523714746,0.10592939570839754,-6.483718692892108,23.849086983619767,-15.24885504087461,-6.127039906460226,-16.68945854473642,74.21164021164033,-1.2513227513227503,19.791131267321738,11.264172335600913,-11.433358528596628,17.305933484504894,-23.742126480221735,-40.70578231292518,-17.26606198034772,0.013859642384427925,-0.008117868370714413,6.354196897694283E-4,8.552710111491557E-4,-0.0028606518877671277,0.003846546703671708,-6.060405095455546E-4,-0.0012571005418132376,1.500570840045117E-4,35.94634212698415,1.0223839365079914,1.10548013813816,8.724425498207886,4.340409444444456,-1.1022352355555263,-9.935132986928064,-11.473405683127547,-8.134871205128189,50.33612448712033,-2.3528478511045554,-2.108894282749657,8.096278524111597,4.224421684077502,3.9965138302756116,-12.291455654250914,-10.052149330938509,-11.070406822299166,0.0909092970521541,-2.511927437641605E-4,0.01835551633265918,0.0019600362811791295,-0.014275210673416633,0.013069019138322075,-0.015423896491930067,-0.02095405425380029,-0.009337111459968607,0.2290755138081406,-0.025137116634920294,-0.010549400398863741,0.009055807790427793,-0.0047812372779113465,0.04761865335281562,-0.04373267401770625,-0.020292566369784854,-0.04135144932792929,1.2926089232231053,-0.16271721851645649,-0.05041120070772263,0.00113902576030535,-0.07539207782432683,0.31798782644826357,-0.224247868248156,-0.07564246798099045,-0.21396741724021054,1.766943814562865,-0.029793398841017865,0.26744771982867216,0.12112013264087003,-0.13294602940228636,0.23074577979339858,-0.3491489188267902,-0.5025405223817924,-0.22135976897881696,-0.5857199013904779,0.04584675940003744,0.061709457389037686,-0.20640156566963289,0.2775357831738513,-0.04372699473302966,-0.09070223508982163,0.010826908793340088,0.028441946412692425,0.03075361977674774,0.24270690651604984,0.12074690184362885,-0.030663349045690572,-0.2763878714510418,-0.31918145224892597,-0.22630595281130192,-0.04674272950247861,-0.0418962386206206,0.16084429634989517,0.0839242537465994,0.07939653421864476,-0.2441875646861921,-0.19970050204223777,-0.21992966155214805,-0.0027631139158413335,0.2019102218129432,0.021560350203287445,-0.157026961337376,0.14375888453767782,-0.16966247668906156,-0.23049407412950382,-0.1027079931617111,-0.10973288334943376,-0.04605206476890962,0.03953197633341281,-0.020871882805928412,0.20787317055937304,-0.19090942235901312,-0.08858461575592337,-0.18051448904557602,-0.12588279068252367,-0.03899957659430579,8.811835813922765E-4,-0.058325512434447356,0.24600466601713117,-0.17348469766787356,-0.05851922156964292,-0.16553144063610925,-0.016861542848994684,0.15136175673748725,0.06854781212770746,-0.07524066600565717,0.13059033224012512,-0.19760046468323514,-0.2844122819525639,-0.12527832925665522,1.6017771459462655,0.9294179108182608,1.0451295555493125,1.8364704529649918,1.500632692115774,1.2817377519526423,1.0704837152839526,0.8207232711844236,0.8919344227646687,0.9377544749477015,0.7247502893086316,0.962955075925284,1.1880024002565854,1.2483461990821176,1.3092878111746618,1.1670664694518758,1.1911945924240623,1.0738215894601588,0.8290434179426914,0.8350293950791597,0.803055218574857,1.2803742709970027,1.1804735090714886,1.2196071921592597,0.6990658003043085,0.7447362945245523,0.8754331219057297,1.7069891757878746,1.841385585792324,1.1703954048656968,1.3249506816437067,0.9133726004109894,1.3525936745344929,1.1175352983224969,0.9466753006904739,0.9524106323293859,0.7096166598211909,1.2815033831432279,1.0920257213561098,1.186015209574404,1.3811880870879012,1.1186819610660295,0.981165539444162,1.0146507000308462,0.7184513130724572,1.278113381028936,1.0721363823263055,1.1662928220110895,0.5612434051048046,0.5178406607805573,0.6797014070642992,1.624409112313011,1.8511970625980299,1.5064394590718062,1.6352547649603097,0.9390877107350074,159.1812795797876,80.09063978989373,115.41583941253322,160.08127957978746,8.004063978989372,80.09063978989373,0.9999999999998721,8.881784197001252E-16,4.4408920985006264E-17,-69.31471805599453,253.01539942496464,12.650769971248232,11.066900708335064,159.22988879780786,80.11347555710122,115.45008062586183,160.127244882563,8.006362244128148,80.11347555710122,0.9970623163945902,6.106226635438361E-16,3.053113317719181E-17,-70.06410495487735,253.0937401288235,12.654687006441176,11.067519868894413,202.35679448506312,100.38040828641547,146.02496903576173,201.23960994650065,10.061980497325031,100.38040828641547,-1.5959779122321862,8.326672684688674E-16,4.163336342344337E-17,-69.44379509826967,325.1574752203746,16.25787376101873,11.568619208236337,159.28090520520323,80.13744220303948,115.48601819435952,160.1754864859914,8.00877432429957,80.13744220303948,0.9939792008757422,1.1657341758564144E-15,5.828670879282072E-17,-68.77085062502725,253.17596941873757,12.658798470936878,11.068169556514166,248.1296546913399,121.9002388169916,178.73918927653426,245.0992307511902,12.25496153755951,121.9002388169916,-4.329177057356702,8.881784197001252E-16,4.4408920985006264E-17,-69.31471805599453,405.0430946536877,20.252154732684385,12.007986935996158,164.27252806790477,82.48253240570892,119.00556948321741,164.89581113706654,8.244790556853326,82.48253240570892,0.6925367435130596,1.6653345369377348E-16,8.326672684688674E-18,-72.66267092313788,261.2649334523475,13.063246672617376,11.131069926370897,161.23462084655068,80.82007676011685,116.29013188084136,162.46597042931003,8.123298521465504,80.82007676011685,2.2636904761903764,0.008055477307453207,4.0277386537266034E-4,-9.642806016124874,253.3546128850853,12.667730644254265,11.069580278630426,0,11.889999999999999,15.997930745078822,-0.31276919684767424,0.29512608145303243,4.911197265625,9.60919365863051,20.0,42.0,37.0,34.0,12.0,5.0,2.0,0.0,0.0,8.0,29.79855399999999,3.8786180598069353,3.4499196613253904,3.3973856057379233,3.1786324441294367,3.1493704104832334,2.7126502324743136,2.6978381545110555,2.4691394669215208,1.9570357088570076,1.817883540913017,1.812482342123284,1.4140823482404667,1.413596892454803,1.1654712752961576,1.1263083785766963,0.9177184209586452,3.8444998371143884,3.3997142890833953,3.3871353159775306,3.059812821738555,3.0472776150173075,2.7194673281020294,2.7056477711579463,2.4211146430307595,1.9628588026323583,1.7686715304036877,1.7555191598345463,1.4088646199921806,1.3995500363950495,1.1760875384816276,1.1400033131423968,0.8665356810573661,3.9110054431713075,3.5708139172405846,3.544075178330749,3.269563123545294,3.245118773167556,2.928589960022176,2.9077099068291274,2.6232796727327523,1.8802147976444714,1.5552188663622624,1.5480032590420039,1.1473259286340887,1.1319031383123161,0.9332400661215786,0.900411179464862,0.5660353302152892,3.8401340197356237,3.41007339424948,3.402188685161105,3.036668182411138,3.0076152412214734,2.7433956429329975,2.7280900871498566,2.407390913647442,1.9692979491305924,1.743547440433588,1.7209500993031805,1.4277261888726616,1.4034498325876086,1.1550025801641708,1.1301382386346759,0.8350811359915881,3.916869090578108,3.617764893875238,3.6012656101849663,3.2746027602758945,3.262881709370779,3.0034970937298033,2.9767693992145365,2.6774951377897436,1.8704129316812423,1.4999939423811288,1.4896837859753327,1.1265595023115662,1.1154963606037138,0.8597818007497798,0.8360282384000923,0.5238121170664926,4.819509645402771,4.770586211543051,3.801765951805164,3.440023881417572,3.4391774125240193,3.057313116574247,3.053402607143425,2.777458782955477,1.8127562976479574,1.699344710058413,1.6925364690001188,1.164506363105744,1.1640601592951447,0.917590826472507,0.8547832013873814,0.5933874455248187,0,0,2,4,2,4,4,0,0,0.0,0.0,0.0,0.08333333333333333,0.09622504486493763,0.0,0.0,0.0,0.027777777777777776,0.027777777777777776,0.7435700477669405,0.0,0.24800564528543081,0.0,0.22767090063073978,0.0,0.04488959454956774,0.0,1.945482830071787,3.098141575158139,4.374484688693853,0.5053913347111422,0.6594223067318923,0.7147040245754992,14.794682450997078,9.701907262607799,7.558297871366133,5.8627004966176095,4.46201831401135,3.3180796246416238,2.075091972771546,1.2419672603109617,0.7397341225498539,0.4850953631303899,0.3149290779735889,0.2021620860902624,0.1312358327650397,0.0873178848589901,0.061032116846221944,0.038811476884717554,12.185034925733243,7.135410681680073,4.524528945358464,2.828986598940963,1.613025770164491,0.969862311572511,0.519341407141598,0.2856084780618568,0.6092517462866621,0.3567705340840036,0.18852203938993597,0.097551262032447,0.047441934416602674,0.02552269240980292,0.01527474726887053,0.008925264939433025,24.819302259311996,42.0888565185725,40.37647058823527,40.960000000000015,26.705057485029972,319.64236287425155,0.5909357680788571,1.0021156313945834,0.9613445378151255,0.9752380952380956,0.6358347020245232,7.610532449386942,3.6004000000000023,76.82300000000005,134.61150911050336,204.6711198815083,269.2230182210067,13.461150911050337,134.61150911050336,8.326672684688674E-16,4.163336342344337E-17,-69.44379509826967,202.71093009727338,10.135546504863669,10.623561949072739,370,0.0,0.0,4.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,8.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,6.0,0.0,0.0,4.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,34.165967970521535,6.1866738053246,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.238720710506425,0.0,3.609914572310405,0.0,0.0,2.238720710506425,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0414266255126785,0.0,4.272598265307847,0.0,0.0,6.591131109851348,0.0,0.0,0.0,-0.9416823612160905,0.5372250566893424,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.88948963844797,10.27647833207357,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.138239166036785,-0.47084118060804525,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5349772455278408,0.0,0.3196284486016629,0.0,0.0,0.5349772455278408,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0207133127563393,0.0,0.3695932032133329,0.0,0.0,1.5879891817838245,0.0,0.0,0.0,-0.47084118060804525,0.2686125283446712,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.944744819223985,5.138239166036785,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.944744819223985,1.7075763731418494,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5843831097253717,0.0,0.6633815192743764,0.0,0.0,0.5843831097253717,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0207133127563393,0.0,0.9523673051019662,0.0,0.0,1.7075763731418494,0.0,0.0,0.0,0.0,0.2686125283446712,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.944744819223985,5.138239166036785,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,48.66666666666667,2.4333333333333336,0.6781136227639204,11.944744819223985,0.037315602166792416,-0.47084118060804525,6.01625909221475,2.137507847274712,4.944744819223986,26.41478919206844,2.137507847274712,4.944744819223986,26.41478919206844,9.33332,0.46667,0.0,0.03333,0.56349,0.85333,0.43333,0.53056,0.85333,0.13016,0.03294,-0.09722,0.0,0.54687,0.16742,0.0,0.17857,0.21429,0.0,20.5,1.025,11.5,0.575,9.0,0.45,-2.5,-0.125,0.0,0.0,16.88375,0.84419,31.64595,14.7622,0.73811,5.78944,0.28947,9.70188,3.91245,0.19562,0.21212,0.01061,0.29812,0.01491,0.14285714285714285,20.04,4,4,4,4,0,0,0.5,1.3421389558735095,2.748063850732055,3.5944656369614516,3.8801799226757376,3.8801799226757376,3.8801799226757376,56.3698361466874,115.41868173074631,150.96755675238097,162.96755675238097,162.96755675238097,162.96755675238097,0.24889835865446522,0.5096257574013376,0.6665901420746031,0.7195755773361371,0.7195755773361371,0.7195755773361371,4.050178466905251,2.6442535720467055,1.797851785817309,1.512137500103023,1.512137500103023,1.512137500103023,0.24162705678353616,0.49473758078459124,0.6471164172440639,0.6985539391459761,0.6985539391459761,0.6985539391459761,12.024960475659702,25.33796670809583,28.28473922833971,28.572689237482567,28.572689237482567,28.572689237482567,72.00792668353155,42.962570383228396,35.40858357171898,33.89209078812017,33.892090788120164,33.892090788120164,18.05,10.6875,6.549346016646849,7,12,4,2.78,2.274200000000001,0.07692307692307693,3.5530835926244406,1.2495759747681023,0.0,10.3424241107555,11.946650334767769,0.0,3.965406456500188,0.0,0.0,0.19999999999999996,1.2649110640673518,0.19999999999999996,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.8070000000000002,0.796,1.391,0.7520000000000001,9.068000000000001,24.0,29.0,34.0,38.0,34.0,32.0,28.0,25.0,18.0,302.0,3.258096538021482,3.6506582412937387,4.123093975508087,4.573421487673511,4.989156262419131,4.931772445670531,5.08740341538998,4.902957280298067,5.088560376568013,4.773857551506242,7.000106540046323,3.6283112582781456,0.46153846153846156,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.5,12.0,0.6,0,7.0,13.0,0.8571428571428571,2.5,2.000000000000001,1.375,0.8622222222222227,0.5833333333333333,0.24326530612244898,0.18055555555555558,0.13958175862937763,0.051250000000000004,0.01652892561983471,0.125,0.08333333333333337,0.052884615384615384,0.03316239316239318,0.024305555555555552,0.01216326530612245,0.01062091503267974,0.009970125616384117,0.005694444444444445,0.004132231404958678,0.3718136686334301,95.84425789533697,137.43886864519828,191.68851579067393,9.584425789533698,95.84425789533697,7.216449660063518E-16,3.608224830031759E-17,-69.72999678555102,210.9265902174602,10.54632951087301,10.703020318557483,52.60000000000001,284.0143673121117,5.321928094887363,4.48863636973214,5.272999558563747,6.089044875446846,6.90875477931522,7.7437032581737535,8.579416534596369,9.423918318420691,10.268026494031647,11.117465141678133,109.89196532995854,3.713572066704308,0.0,4.919980925828125,0.0,6.333279628139691,0.0,7.85748078694253,0.0,9.44943600950432,9.683027896351076,278.1518091840006,6.6226621234285865,39.247140361500726,1.9623570180750363,11.039851734798015,11.039851734798015,0.0,912.0,26.0,3.646,88.0,1.2443405652609763,2.153812816986029,2.9150355103514634,3.7394545551846337,4.870355874630992,5.742818812580295,6.52400112908767,7.357375192906,7.923040801524308,8.108239391942588,111.62235942616086,138.73298731336212,164.00921059797383,242.73203356612797,306.84889098152536,326.0802000512376,276.86474235291,269.59687162244734,212.1071136014923,126.83480957420038,324.6252151605907,417.4914508018574,485.51455685959604,650.1160081358144,861.2762179722017,1114.4165528882338,1056.7539192416282,1079.4234507896817,924.4202286295709,731.2345033374528,9.605665049799446,16.600919893876576,22.024969389087957,29.761949025533763,39.92713008031642,44.09582960875699,49.54437894868482,54.47853045344447,58.49976689017236,60.21449397864151,2.22300644740348,3.005898446565634,3.5094214052861914,4.4154944171644805,5.907406182415855,8.209436375402028,8.152764635088632,8.661821498579295,7.810181922990676,6.5745253853404275,178.08581388032812,331.25397498626165,465.5984367402106,598.4944114240913,789.128795839184,872.4145532503416,1027.2373228241734,1165.1383417782422,1295.867052540918,1389.8671426806386,3.809412655866329,6.727998149853285,8.000092217283232,13.718187670958512,21.102607247777545,17.911045274387117,18.193005735597648,17.73651798226108,19.249161294853778,17.64727696032741,0.49678263938787043,0.691800082012527,0.8290904600712654,1.1211035672302145,1.4721149091936823,1.8595043565417626,1.851747773592854,1.9500985146107792,1.8182669237848472,1.5624546849473018,453.6199301392801,752.3560277863644,19.895677688493052,140.2513316563777,-232.6152970050096,-22.03319849706357,313.36859848290237,984.971324791374,41.92887618555662,0.7638354628706786,1.2668672087474055,0.03350166773238956,0.23616453712932167,-0.3916931361549014,-0.03710096769195892,269.3918402874723,446.8026235410571,11.81547121314508,83.29123529929427,-138.1435399453367,-13.084883392845327,0.17726799619156652,0.1879757934680623,1.733775061837431,1.3490409694633536,517.8695250707788,76.00173672487902,0.872023211739399,0.12797678826060135,1679.6650539507036,40.98371693673847,11.887053816042155,1893.6290969244544,43.51584880160853,12.37176435499922,3618.5561886490013,60.154436151035455,15.352476463007838,1.5376140750277878,1.2830576162023908,3502.580401448906,2061.7471848851774,1665.0435346390993,1.6988408797773968,2.10359689016065,1.238254220981714,7.194276745544555,7.501417614208058,11.531036834216058,0.5371810272735251,6.489026178607027,7.692942938395053,7.789024170122247,30.10430366623087,10.731969757389972,9.841152267811006,15.862232425257803,23.51043364525011,14.918427567931422,14.749538512914459,21.539534892788957,22.499650941800823,23.36697857200585,19.276576987982367,20.241428907397648,12.359457411921097,12.404543581928758,3.2602404549122492,6.792439077325839,6.932869956847048,0.8403568426739187,3.610942176488466,3.005997948958905E-10,1.68322707415559E-41,1.9307943290129095E-94,4.2857606371330437E-169,1.8351733471764364E-265,0.0,0.0,0.0,0.5777118242043164,7.994994327697763,1.2739587009071973,8.32151541881312,3.486276804254054,9.236801317302234,7.134879280869706,7.4959072776396605,5.754376991831881,2.162500451367941,7.691154358766609,3.9520434370015405,3.2712176089837275,1.8213306656889774,5.581052650285586,0.7353733512743795,2.6120628898498803,0.38531697912548807,0.22428547459386688,0.23101691063280386,0.019404301222482833,0.025432160998725233,2.117148934079723E-12,1.1855105912819622E-43,1.3598742331186928E-96,3.01849625937689E-171,1.2925275937635795E-267,0.0,0.0,0.0,1.769802843859693,7.432821046235584,1.871474511253543,9.547215911004844,2.296423869467016,7.361392954760842,6.892034194239766,7.411739232735375,4.898043347208402,3.6329740173009233,8.937594867052876,6.538505695763235,6.045876966804863,3.270789983236413,7.700666938057243,2.222122230091426,3.43749291655536,0.8462346695078458,0.9219090151512669,0.9769099987462888,0.0963245503395292,0.26502272590591414,2.2062324223518916E-11,1.2353934394628364E-42,1.4170937977641585E-95,3.145505829555603E-170,1.3469134071029432E-266,0.0,0.0,0.0,6.1353487987130935,7.994083733368636,8.586108064396065,29.448208628957552,11.157226062715372,11.325008599817568,17.420051387783438,24.573627361126505,15.594912114335877,16.905984418330295,21.557993922050716,22.535916385097075,22.249980011552218,18.43702414239521,19.448040623856027,11.334410929344129,12.050671017520374,3.0615657785276684,6.162848313679878,6.302509651811407,0.7580284520570927,3.2172844695004175,2.6782900539106665E-10,1.4997250190225261E-41,1.7203029860128127E-94,3.8185355688119254E-169,1.6351064127129219E-265,0.0,0.0,0.0,2.593139358011298,7.219207009940514,2.2793341421277975,11.154561097528555,2.37077193002149,6.865596669581584,7.03052344359045,8.127926546722543,5.095922819046731,4.131465044325469,10.137981951063427,8.348901442432911,8.222129366293464,4.765114815492316,9.31020363911924,3.505792884222153,4.28133836137183,1.1944819842139343,1.591746923083277,1.6736559931031028,0.17604484012260932,0.5756647747607686,4.7922316327468E-11,2.683439631972462E-42,3.078117090209062E-95,6.83245898513114E-170,2.925675903723969E-266,0.0,0.0,0.0,7.836458233162676,7.883832277962525,10.424840445251574,39.64311137222283,15.192343271872534,11.355331774276197,19.90452484860707,30.670973736866273,19.50340079981749,20.319258930631175,26.541367940156963,28.742197180321345,30.21524565652355,26.492594984925777,25.164723942690532,16.51061775824366,16.311105275518294,4.133029628914766,9.381862740749035,9.516692097374877,1.1815951933116695,5.26621980238315,4.383965500141285E-10,2.4548284953280057E-41,2.8158820697774044E-94,6.250379106732935E-169,2.6764278543791806E-265,0.0,0.0,0.0,3.866334800720803,7.6633878333702015,8.604701225998918,23.068681101579717,11.690138828044637,16.991666982802506,19.949000026192994,28.258108575945876,13.755312281136588,17.58314367311637,18.12721944252058,17.282738704604117,14.126445343454108,11.957560484775886,13.661762757017502,5.711437489400396,11.35894064067422,2.121175488689589,2.977703941622294,3.1112338429519246,0.3397197294554036,1.207665956543682,1.0053446471768496E-10,5.629489300122629E-42,6.457468622507973E-95,1.4333564389540622E-169,6.137667864558731E-266,0.0,0.0,0.0,9.017052555149386,8.1134843967987,0.6207179978394795,0.5079670468739054,0.45706539733382606,0.4704791232968429,0.5450207781350723,0.38515548008047823,17.751254949787565,83.79294781004681,146.95575470831045,0.44754866631159723,1.4006553815123934,7.601578607811945,5.59076302885477,0.4159233130073323,0.5586001327813669,0.41083584494647,0.3431461504252624,0.27194783988984006,0.1748345196223057,13.608264949674048,47.98562708133532,79.27006079015226,0.4541539665917555,0.7899285099374082,8.553321297803073,6.725966356635298,0.4333753105457827,0.5443584780545632,0.4280602448881001,0.4339852155454311,0.39551641361393475,0.18837535366314836,15.712662964984153,64.15101731867621,104.7954807629515,0.45862808441399494,1.0178769828225143,8.780846236609547,7.857795831191015,0.6265136300457244,0.5085877237530444,0.45512452761553857,0.44417041030258436,0.5032613975008378,0.39442591400109767,17.265155697846286,79.42243299328904,139.9158368790051,0.44556837705287444,1.3418577218045198,8.944773792811189,7.287690965704798,0.4587684395421068,0.5358965204471441,0.43661788672107643,0.4742490175556824,0.46452214577963163,0.20946833959173264,16.691233198058093,72.63368968732976,119.23054515887259,0.45877161075233075,1.1482395029270467,9.029746316123335,8.245145238734,0.6533067712069371,0.5036616703975079,0.4598981497626056,0.46553238358485366,0.5390815487134505,0.42717837486105553,17.92819832606427,85.73737347001402,152.30528650303833,0.44533973024017015,1.4317923071593597,8.887460129406264,7.897127053838487,0.6363921853608661,0.5101584670619824,0.45331131429211813,0.45647056578575457,0.5130928970060366,0.4071577374838165,17.420979368605618,80.86698194577023,142.95340256402872,0.4452046720311509,1.3767212002756075 +UMLCN0367,L,dibutyl succinate,CCCCOC(=O)CCC(=O)OCCCC,Esters,,C12H22O4,Jenkins (2013),CFR,PubChem,,21,0,-1.1387999999999991,1.2968654399999981,54.55000000000001,38.997445999999975,0,0,38,16,22,0,12,0,4,0,0,0.0,0.0,0.0,0.0,0.0,2777.3948639999985,2717.7169590000017,3309.406760000002,3087.9829989999994,2947.605726,2986.045910000001,2414.11794,1998.3674089999975,1712.9772399999974,6631.608306329845,8152.234688350301,10301.565681510818,10348.449743780759,9421.035965880052,8595.700848287357,8166.024881981135,7498.238816852756,6248.028643592272,291.6992640000001,284.65585200000004,521.1735200000002,646.7579800000008,568.0100400000001,505.2323599999998,435.8849279999999,474.51779599999986,408.55359999999985,45.82109990667804,57.634114820000015,77.85780715188591,79.83400084716784,69.39464069297995,64.07352015698005,62.97447048158406,58.400393101584044,49.727159564980056,6331.525760823479,5429.905224983801,10841.068248177688,14235.06954561517,12017.510281167182,10675.493410464482,9361.431886737986,10167.303449927884,9056.583850906381,176.05555555555554,103.75,193.16666666666669,211.61111111111114,223.66666666666666,251.58333333333334,159.66666666666669,180.41666666666669,134.33333333333334,73.08933852631576,73.45180970270275,48.66774647058827,36.32921175294117,40.93896841666666,46.65696734375002,41.62272310344828,32.760121459016354,31.721800740740694,174.5160080613117,220.33066725271084,151.49361296339438,121.74646757389128,130.84772174833404,134.30782575448995,140.7935324479506,122.9219478172583,115.70423414059762,7.676296421052633,7.693401405405407,7.664316470588238,7.608917411764715,7.889028333333335,7.894255624999997,7.515257379310343,7.77898026229508,7.565807407407404,1.2058184185967906,1.5576787789189193,1.1449677522336164,0.9392235393784452,0.963814454069166,1.0011487524528133,1.0857667324411044,0.9573834934685909,0.9208733252774084,166.6190989690389,146.75419526983248,159.42747423790718,167.471406419002,166.90986501621086,166.80458453850753,161.40399804720667,166.6771057365227,167.7145157575256,4.633040935672514,2.804054054054054,2.840686274509804,2.489542483660131,3.1064814814814814,3.9309895833333335,2.752873563218391,2.957650273224044,2.4876543209876547,0.5317355719765404,-0.3081310370243572,0.15189303851450006,-0.005240235238765782,-0.393417693051034,0.3600414752048185,0.033855487170334576,-0.1264721490446265,0.012934180817727306,1381.6071688421039,12.053254180054452,-30.043983401662445,153.60509353739593,-268.7504002271479,203.74583784487504,-6.821758969529185,-542.3916142465384,-54.132592775623266,1800.8034847272625,-195.7952083824274,-518.6654657446466,287.48397474169866,-55.121941474226844,196.99624047268918,-226.17253713856093,-360.33566148827725,12.65151307977186,3.818041263157891,-0.011701861495843714,1.4080667922437664,-0.9313118781163457,-1.822821340720218,2.329107346260389,-0.1744756121883666,-1.613381396121882,-0.6468097950138509,7.986028560285481,-1.6187072486945226,-2.8704971038523106,0.608943663857697,-0.008526586510058137,1.8943485575500414,-1.8515595260809814,-0.5018097050517899,-0.014194957745046338,45.00342271005384,-10.11941500391694,-15.879610367159255,1.6364489351442617,-0.49104419715540015,13.21084083151381,-11.634470820964523,-1.4952605139326103,-0.5143193110579639,73.80701754385974,-0.09572176054170367,19.634810710988003,-14.052246845183127,-28.22791628193292,39.402508464142784,-4.138196368113263,-34.36857494613733,-12.348568790397035,0.013993041367803695,-0.008327865865523167,0.002233721154625001,-6.164982633842097E-5,-0.005464134625708806,0.005625648050075289,5.837152960402513E-4,-0.002073313918764369,2.3952186699495012E-4,36.35808339058168,0.32576362648795815,-0.44182328531856535,1.8071187474987755,-3.7326444475992764,3.1835287163261725,-0.11761653395739974,-8.891665807320303,-1.0024554217708013,47.389565387559536,-5.291762388714254,-7.627433319774214,3.3821644087258664,-0.7655825204753728,3.0780662573857684,-3.8995265023889814,-5.907141991611103,0.23428727925503445,0.10047477008310239,-3.16266526914695E-4,0.020706864591820095,-0.010956610330780539,-0.025316963065558584,0.036392302285318576,-0.0030082002101442518,-0.02644887534626036,-0.011977959166923166,0.21015864632330214,-0.043748844559311426,-0.04221319270371045,0.0071640431042082,-1.1842481263969636E-4,0.029599196211719397,-0.031923440104844505,-0.008226388607406392,-2.6286958787122847E-4,1.1843005976329959,-0.27349770280856595,-0.23352368186998906,0.019252340413461903,-0.006820058293825002,0.20641938799240328,-0.20059432449938833,-0.0245124674415182,-0.009524431686258591,1.94228993536473,-0.0025870746092352343,0.2887472163380589,-0.16532055111980148,-0.3920543928046239,0.615664194752231,-0.07134821324333213,-0.5634192614120873,-0.2286771998221673,-0.5951433749552535,0.1596308547879037,-0.004405748880316312,-0.3904894212834332,0.4020318315515902,0.041714683798713695,-0.1481674972772406,0.017117212813081588,0.008959867960816246,-0.012151996038190966,0.04970335559456078,-0.10266339970401721,0.08756041076551478,-0.0032349486823573187,-0.24455815538460504,-0.027571734488910947,-0.1116651386320462,-0.16095174660066683,0.0713693907311869,-0.0161550863405122,0.06495240528611824,-0.082286606144159,-0.12465068930895525,0.0049438579429668785,-0.0031477208323354394,0.20609019134548412,-0.10904837425075328,-0.251973336635844,0.3622033895197631,-0.029939856619290377,-0.26323897356903203,-0.11921360115595418,-0.2081705669725786,-0.20086345930669378,0.034088738339069995,-5.635019767757495E-4,0.1408421529618383,-0.15190162604937218,-0.0391437076290982,-0.0012508150031897204,-0.2309360506574028,-0.19718277803517242,0.016256295447237484,-0.005758722327300958,0.17429644838900166,-0.16937787999120027,-0.02069784266807775,-0.008042241729248984,-0.0013319713818881651,0.14866329227198355,-0.08511630941894213,-0.2018516317601175,0.3169785228983434,-0.03673406938080751,-0.2900798954643641,-0.11773587231157921,1.5984913957189666,0.8810498560965319,1.1516023110138651,1.7960941811519942,0.9334467693121792,1.0112471925556359,1.2941954644736002,0.9971579738986358,0.9984303513393605,1.006350427701285,0.9407342585331103,1.1877047737456654,0.983432822884517,0.9562593432553212,1.2892547902134688,1.0019455672752382,1.4325536314187501,1.238042486117221,0.8617720633512154,0.9365082736176602,0.8677505616433921,1.1324943425351983,1.0540731942645627,0.9241432942694275,0.7161441722446172,0.7314087747818715,1.1826496410562846,1.6934036034973985,1.0146368701882198,0.8416635432779878,1.5576364904248774,1.1438319815568485,1.669282676953318,1.322205698844182,0.8833886589312212,0.9157183213472988,0.7897300793117208,1.228595945659732,0.965010777716439,0.9127010075463007,1.7068256175830552,1.3253122262341237,0.902519625225376,0.9406312473665674,0.7737297827216987,1.2438367319028387,0.9603997850550209,0.918409041149218,0.5566318041359632,0.5119560303322652,1.0103145084989058,1.6569058733680178,1.0674539210442897,1.1733184839717044,1.903872156865799,1.1418667300530847,135.66217257634872,68.33108628817429,105.65206648691276,136.5371725763486,8.533573286021788,68.33108628817429,0.9999999999998721,1.942890293094024E-15,1.214306433183765E-16,-54.19935950199621,97.79139456657286,6.111962160410804,7.332538532884115,135.70614332958195,68.35160282298834,105.68392396125286,136.57857285642734,8.536160803526709,68.35160282298834,0.9970623163947181,1.5543122344752192E-15,9.71445146547012E-17,-54.556389184098954,97.81112939356986,6.113195587098116,7.3328613888745515,174.6411796060726,86.52260084692023,134.10625581520327,173.24469893286948,10.827793683304343,86.52260084692023,-1.5959779122321436,1.1102230246251565E-16,6.938893903907228E-18,-58.77888091148336,116.1880258675461,7.261751616721631,7.608335666394499,135.75229130642322,68.37313525364947,105.7173596025398,136.62202310718948,8.538876444199342,68.37313525364947,0.9939792008757138,2.220446049250313E-16,1.3877787807814457E-17,-57.66984542258745,97.83184465267334,6.114490290792084,7.33320021437903,215.85604418978212,105.7634335662127,164.49107609457513,212.06801426459492,13.254250891537183,105.7634335662127,-4.3291770573567305,2.7755575615628914E-16,1.734723475976807E-17,-57.312815740484716,136.79310504711637,8.549569065444773,7.869551363545402,140.2663054571264,70.47942110031977,108.99143802755776,140.87227510770037,8.804517194231273,70.47942110031977,0.6925367435131307,4.440892098500626E-16,2.7755575615628914E-17,-56.560809933691544,99.87368380959889,6.2421052380999305,7.366249960996193,127.50053866493221,64.20624358134405,99.56895063553647,128.8753749135538,8.054710932097112,64.20624358134405,2.482010582010524,9.43689570931383E-16,5.898059818321144E-17,-55.35477504988933,88.51566618738157,5.532229136711348,7.173087288662906,0,11.89,15.997926715744427,-0.31659891712659605,0.2630663196957741,4.276228515624999,7.235338305968833,15.0,37.0,35.0,35.0,13.0,2.0,2.0,0.0,0.0,2.0,29.79855399999999,3.6145252316202163,3.4488791056074226,3.312546429769559,3.1692639215790828,2.7679637297969744,2.663623395482402,2.3138427702160587,1.9567727143645246,1.8310730675015503,1.8181314127457715,1.7173259672171173,1.4167933231156902,1.3825497057784906,1.0879268502929718,0.9059290794379584,0.8661927822987974,3.508323893885443,3.3994352603517415,3.329697544632711,3.0223996587549156,2.7625816268838093,2.6484813599103028,2.18630508542986,1.958881625348431,1.8171398870320674,1.7694099678466448,1.690817618399704,1.4159008259852017,1.3105058605383009,1.1331037436321567,0.8339540423659961,0.757212265930874,3.6893619758312814,3.571749585553522,3.4795327494144894,3.268345865242531,3.001559589279655,2.885525222356937,2.5187328860560436,2.3106205212005153,1.608619249793554,1.5554883566347426,1.4863884026139822,1.1251384465711742,1.0046265821650986,0.8426571795633424,0.42633861177543186,0.33439042007152403,3.491481724231052,3.4099742066921523,3.347239393436214,2.9781472110591327,2.784242399446869,2.6587960919616256,2.1644427988090746,2.0004418271495816,1.8241987989677593,1.7448888996756393,1.6610413091287022,1.4357973547770428,1.2641419150940425,1.1254875193885812,0.8054136029629066,0.687066866481634,3.7033576468219467,3.618548846903015,3.5405396681280923,3.2760584436649873,3.0872617839698107,2.9537028244462356,2.580322679740869,2.4414016782147243,1.580390588300167,1.5002162511031965,1.4314511247477,1.1034943260336982,0.9186574088680853,0.7862737768474686,0.3466994666560749,0.2006149659966709,5.049713712108457,5.023004289404429,3.5234407930580773,3.5178760837720646,3.195973876012952,3.1440347007965834,2.970098246252262,2.4849728914351528,1.6486153604689922,1.6389556502269722,1.5224432255319966,1.1034855343678929,1.083597702653105,0.6970415279713139,0.5305847602767453,0.49933477565849455,0,0,2,0,0,4,6,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5773502691896258,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.8164965809277261,0.8130525295851416,0.9772838841927124,0.16666666666666666,0.1595177968644246,0.14681680675476136,12.22576835024473,7.701907262607799,5.779257531797426,3.7532188576240553,2.343309287977151,1.6379674867156715,1.0395057741863334,0.47052203082849775,0.7641105218902956,0.5134604841738533,0.3612035957373391,0.25021459050827033,0.1673792348555108,0.11699767762254797,0.08662548118219444,0.05228022564761086,10.289847411347834,6.015167193676994,3.648047142101517,2.0551296269068446,1.0091453150522973,0.5628893946102534,0.3431130227704098,0.16033650880638817,0.6431154632092396,0.40101114624513295,0.2280029463813448,0.13700864179378963,0.07208180821802124,0.04020638532930382,0.028592751897534147,0.017815167645154242,20.819302259312003,38.088856518572484,36.376470588235286,36.96,22.70505748502996,292.6715844311378,0.5478763752450527,1.0023383294361181,0.9572755417956654,0.9726315789473684,0.5975015127639464,7.701883800819415,2.4532000000000016,60.968000000000046,77.02616263978724,118.28410665543271,154.05232527957452,9.628270329973407,77.02616263978724,8.326672684688674E-16,5.204170427930421E-17,-55.55503607861574,104.49226759996185,6.530766724997616,7.438580919053468,288,0.0,0.0,4.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,32.06809760015117,-0.6372379167716469,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.68722017510708,1.3618055555555557,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.053437679934447,0.0,4.8490359700193615,0.0,0.0,0.0,0.0,0.0,0.0,-0.6372379167716469,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,22.244582231040564,9.823515369110607,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.911757684555304,-0.31861895838582344,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.29804106827916355,0.6809027777777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0267188399672236,0.0,0.11971489984882844,0.0,0.0,0.0,0.0,0.0,0.0,-0.31861895838582344,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.122291115520282,4.911757684555304,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.122291115520282,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6809027777777779,0.6809027777777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0267188399672236,0.0,0.9924002164146395,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.122291115520282,4.911757684555304,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,40.33333333333333,2.520833333333333,0.6809027777777779,11.122291115520282,0.12162115772234805,-0.31861895838582344,4.178170961545816,1.9852856250524902,4.122291115520282,22.243070560171233,1.9852856250524902,4.122291115520282,22.243070560171233,7.33332,0.45833,0.0,0.04167,0.54912,0.89167,0.428,0.54912,0.89167,0.12112,0.0,-0.12112,0.0,0.51402,0.20027,0.0,0.22727,0.13636,0.0,12.0,0.75,9.0,0.5625,3.0,0.1875,-6.0,-0.375,0.0,0.0,14.7516,0.92197,22.23764,7.48604,0.46788,5.58676,0.34917,7.70189,2.11513,0.1322,0.21211,0.01326,0.21211,0.01326,0.0,15.04,4,4,4,4,0,0,0.8333333333333334,1.3235315761100483,2.139835523706203,3.366091329119193,3.576617644908667,3.576617644908667,3.5766176449086675,50.29419989218184,81.31374990083572,127.91147050652934,135.91147050652935,135.91147050652935,135.91147050652935,0.25220081121920324,0.4077486814032013,0.6414134571211773,0.6815295439478664,0.6815295439478664,0.6815295439478665,3.9243959373335366,3.108091989737382,1.881836184324392,1.6713098685349181,1.6713098685349181,1.6713098685349177,0.2504126500319508,0.40485765039218347,0.6368656896359702,0.6766973442711007,0.6766973442711007,0.6766973442711008,12.230286966291482,22.44645166586639,24.83937401146008,25.05154770240745,25.05154770240745,25.051547702407447,58.7939080473474,36.13424885599478,32.29570275118045,31.24481642407007,31.24481642407007,31.24481642407007,16.0,11.484375,11.324444444444444,16,3,4,2.3400000000000003,1.9482000000000013,0.07692307692307693,3.2649247315979193,0.6324555320336759,0.0,6.991690615009551,5.054607252192457,0.0,0.33333333333333337,0.0,0.0,0.19999999999999996,1.2649110640673518,0.19999999999999996,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.7630000000000001,0.7480000000000002,0.989,0.12,6.942,16.0,15.0,14.0,14.0,12.0,9.0,8.0,7.0,4.0,130.0,2.8903717578961645,3.044522437723423,2.995732273553991,2.9444389791664403,3.091042453358316,2.833213344056216,2.4849066497880004,2.3978952727983707,2.302585092994046,1.6094379124341003,5.087596335232384,1.2384615384615385,0.46153846153846156,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.0,0.7333333333333333,13.0,0.8666666666666667,1,7.0,13.0,0.8571428571428571,2.5,1.1111111111111116,0.5,0.4800000000000002,0.27777777777777785,0.12244897959183672,0.09375,0.07407407407407406,0.020000000000000004,0.01652892561983471,0.16666666666666666,0.06944444444444448,0.03333333333333333,0.0342857142857143,0.019841269841269847,0.01020408163265306,0.010416666666666666,0.009259259259259257,0.0028571428571428576,0.004132231404958678,0.37098759978505236,77.02616263978724,118.28410665543271,154.05232527957452,9.628270329973407,77.02616263978724,8.326672684688674E-16,5.204170427930421E-17,-55.55503607861574,104.49226759996185,6.530766724997616,7.438580919053468,52.60000000000001,245.99626361184457,5.0,4.143134726391533,4.8283137373023015,5.556828061699537,6.267200548541362,7.00397413672268,7.725330037917135,8.46611040118692,9.19370273082316,9.936487030799237,94.12108141138387,3.4339872044851463,0.0,4.553876891600541,0.0,5.820082930352362,0.0,7.153833801578843,0.0,8.527341522468053,8.825412915085566,230.151809184,6.056626557473685,30.47014399263282,1.9043839995395513,10.892808695769709,10.892808695769709,0.0,590.0,15.0,2.632,62.0,1.244891891891892,2.1378558654303745,2.866986460340999,3.6778090263796224,4.896998956795412,5.868675702220622,7.064838853736988,8.13787772129983,9.387827454664802,10.46960978603311,102.3559439208378,113.57059486903928,118.13775330576696,179.31102475323308,252.06093079492578,276.9244598808748,254.88965518225064,285.71885253213065,341.6616069014697,291.27224061875654,297.11028745589977,343.7102488554446,378.4794399422267,542.846256025103,712.1580499515222,906.0921158570152,925.9576672727903,1007.9549168967009,1148.7558068065289,1318.1477516462057,9.639367664324329,16.493880235757867,21.906063017309997,29.17119557847,38.88807741855792,44.319977126646435,55.04913354673352,61.76520339728764,72.35289917348796,82.46627975356192,2.0538118301259454,2.551955082705498,2.8455787653763167,3.8867672869071503,5.206140242600515,6.839515411526877,7.104167964283098,7.881090514642035,8.79017871466241,10.442486239415869,180.9345303085951,337.86030915402824,476.6387843749082,602.6478531092877,809.8540478950063,932.4317501833483,1167.3013157772907,1352.102791612631,1571.685292734884,1746.8426321544457,3.578443693693693,6.339247057755462,7.290061278423957,11.559128727773198,19.611884216398536,16.565009896233274,20.951242528653957,20.48794696677322,27.25971427902725,28.918996355009863,0.4692204729729728,0.6102372889052238,0.7002460621487546,0.9882083256703219,1.2883307543748836,1.613991010717098,1.752029942829778,1.920283194636689,2.207482334805482,2.5265499617036977,547.1315298684826,798.4984630983627,20.16426499684346,259.8811345973598,-379.2775141548362,-32.24078065946077,287.25039527112284,1177.7759772531988,52.405045656304225,0.6779714296437048,0.9894497301685901,0.024986305524944998,0.32202857035629523,-0.46997715259633266,-0.039950774106873255,441.5420737324368,644.3983722768897,16.272817222097963,209.72736687582153,-306.0817572700756,-26.018718304450232,0.17949853487211903,0.21624852937386316,1.3547968465587237,1.99535808229323,714.6899448440208,92.32271962182145,0.8855994166052779,0.11440058339472206,1234.0507504046795,35.129058490154264,10.726161708838877,1447.165544204008,38.0416290950323,11.311132017321015,2290.040081089733,47.854363239831464,13.18097980172964,3.7065239356385593,3.7065239356385593,4896.317325523016,4763.3271387981595,166.36574840707908,1.0279195996516022,29.431041980722224,28.63165756416886,6.550181726611967,9.06124473552273,16.82543315889983,0.8568567178126436,6.162264290734777,9.534493941048199,6.158014037665624,34.17036838419135,8.430820025488805,3.3237727095109646,13.792386835332213,16.25409328500638,14.478175448207983,3.861205758975006,10.700388370464912,11.333261113080434,10.730764827744936,3.237598317102698,3.4318273429597057,12.538393859268607,5.8118995977991865,12.014976135635157,0.05876134779268469,3.4889117736682027,4.720014546844525,5.983451294837743,6.051300393481322,8.481438137868192,5.100860088249006,1.9773010405194977,6.006681719590939,0.8182824923075345,8.827730304505268,0.8317925578314906,0.5501711816903444,9.836461566307602,0.5745530174458817,10.409854385304637,0.19883546027030155,3.37748742884373,2.783377331622155,1.0268530709189492,5.290394657304842,0.4316413367807686,7.944444905388203,1.4760068712304806,5.1276388509881095,0.03827458288088771,0.07444561411011552,4.006007263704747,0.452858247739637,5.196860139474402,0.0061837745226570005,1.087364190768794,0.039057286931664624,0.2150666207931174,0.3824581758805958,0.3165637217423449,1.694031740554698,0.02729261432577221,0.1936872821957248,0.11166772265222304,0.265018523443262,0.8115116895079894,1.6811847659975108,9.274293978288913,1.3019411339503617,11.121725465198331,0.7536689091756937,3.022698603740654,3.392992790448528,2.537984063346602,3.149324770142572,0.7477196492985663,8.348600413556944,1.8130883159110585,4.372227246312622,0.25906970960970677,0.292245814511209,4.4595413794781225,1.1998156554956194,4.392748134694303,0.01384863294784047,1.3238208190419611,0.36062621989724436,0.856028821090485,1.052765104065963,1.2823310423366068,2.0341395989878235,0.17946195139514567,0.8295116554981187,0.2559028609157629,1.1690511745625087,0.8156512108443066,5.82690502107125,9.83562557348318,6.795201539278849,34.86689206345243,7.838524374812913,3.5034985676545998,15.264963958258654,15.71904740418487,15.862343411712516,4.8498193087649115,10.633263961580909,11.675783784194383,12.98810305261034,2.8924106462967005,3.0708811016155146,12.085007999356588,6.022057055828948,13.037427631060398,0.06461311843997494,4.064347892795267,4.2093558202425525,5.503632998811474,5.532035509551386,7.733650168466303,4.766603680083618,1.7709426301578457,5.455983726414534,0.7750240421890859,8.005018958048362,0.8305508940238017,2.462593535547041,9.060687236621227,1.6416242589959873,12.357654988530978,1.395614597497158,2.896589767545958,3.7964556376129166,3.810393444351336,3.197313500365762,0.7403813567480064,8.706897405684648,2.2692831066809656,3.9433211643371573,0.5390813209945952,0.5810695075558147,5.16530605098647,1.6480282868959553,4.334244349020193,0.01750147782571429,1.3611324086822123,0.7695925113812745,1.4393227838350915,1.6574581045361039,2.1533991656983074,2.3731084426275615,0.3569250132484416,1.42950880280897,0.3549157618055249,2.0401827493662466,0.8184929326194493,7.441872628177397,9.72542178631618,8.409877804635183,45.38521302334928,12.275044120063297,3.5128054929502017,18.823421130682846,22.662258424334702,20.51087871169443,5.639325108775495,11.41614458742305,16.23069804920759,14.280090657749225,4.698375338418035,4.980115447318097,16.072269569987366,7.790495409835883,15.830216108889793,0.07826160422284517,4.648219837238977,6.865834229002222,8.225413495928422,8.169450165027628,11.53167789149277,6.4811758723358555,2.840112940202936,8.266884075173527,0.9784490625455432,12.21279383286741,0.8363899749328868,3.98697188237361,10.089980462249066,6.0588221727638425,37.30568108109598,5.341120082743873,3.621484153969706,16.626682345074784,13.306929788072242,38.52990103460484,5.206439801699386,10.049510155476083,15.860044550230585,20.609547543296877,1.289919479647569,1.372581841362651,11.12666637038813,7.18988065437465,15.685021764431273,0.09873858024237064,4.725673482449116,1.8327725027904689,2.8661433503028886,2.968762077672857,3.9110218940913493,3.4699018565625703,0.7952554751451241,2.6931162249499683,0.6485773971152643,3.909269566059447,1.2647523520211243,28.01193330675271,0.8590671428634217,0.43574242894736837,0.9558187145812822,0.029312951849445844,0.5928919560359728,0.543551424677086,0.5263026974482007,29.306742878563497,36.64445137396906,76.43695736804234,0.9337280718719234,1.6627460781612595,20.625788119389412,0.6501635328211393,0.07247237563568162,0.9661503862058278,0.030454872545771332,0.3220808584187313,0.3058667436000906,0.014558642823500213,21.34842402784623,14.952054031068107,37.27234241959393,0.9492255793087419,0.6425062448423221,24.933083693823825,0.6426476008437465,0.21546590979331237,0.9667284343633091,0.024917323370029262,0.4699570673276612,0.3043036540091392,0.1286865123943789,25.791197204460882,21.533884629507057,50.77753227319644,0.9500926515449637,0.9029472337311794,27.062094257919494,0.8734546535962338,0.4103457843965121,0.9547094755072987,0.030814150090037365,0.5534480898479552,0.5623351563724244,0.46674088815912257,28.34589469591224,35.10074689628275,73.14619506298651,0.9320642132609481,1.5825241343795022,26.79690786837033,0.6641733339327835,0.2911825879346908,0.9655755678495844,0.023932221852345413,0.5426513173357431,0.3251393879058153,0.23502101587170807,27.752263790237805,25.793980329996476,58.728651148916846,0.9483633517743766,1.1028117211132664,28.170941737975298,0.8960316519441083,0.4606866231318633,0.9540526315164731,0.030345501524606456,0.5996332639576506,0.5912675603039125,0.5882840854779404,29.527660013051268,38.63282127796493,79.78915858285004,0.9310789472747096,1.7791849097395036,27.221149156146325,0.8917141891578115,0.4141427023879581,0.9542238365511401,0.03125859712256602,0.5599963718750333,0.5861507198876313,0.4754183299395178,28.527006047692094,35.9162221454045,74.49591484571748,0.93133575482671,1.6215654217021824 +UMLCN0368,L,diethyl adipate,CCOC(=O)CCCCC(=O)OCC,Esters,,C10H18O4,BioCompoundML (2016),Unknown,PubChem,,15,0,0.016800000000001925,2.822400000000647E-4,47.486000000000004,32.81027399999998,0,0,32,14,18,0,10,0,4,0,0,0.0,0.0,0.0,0.0,0.0,2484.8023659999985,2380.7603650000005,2921.9896860000003,2606.709612999998,2486.5770120000007,1994.3031529999978,1712.9772399999974,1839.1773519999977,1247.0047099999979,5660.239525107466,6846.2544193695685,8474.471458186135,8510.981881727397,8114.517506055356,7373.903839129037,6248.028643592273,5246.564698142682,4285.939329607812,249.7443760000002,241.10429200000004,435.714504,520.7085159999996,429.43603199999995,447.6439399999998,408.5535999999999,346.05558399999995,289.23269600000015,38.46484828728202,47.60213758000001,62.48242686218805,63.532510480376054,59.24153389079203,56.621941482188035,49.727159564980056,42.66447167698007,35.417038436980015,5338.266440546483,4563.8263219522005,8992.663850245988,11288.184748854477,8751.074693261593,9427.63284183089,9056.583850906381,7703.541466887182,6709.030734305581,167.55555555555554,93.25,176.66666666666669,183.25,187.66666666666669,176.44444444444446,136.5,170.25,81.83333333333333,77.65007393749995,76.79872145161292,52.17838725000001,38.90611362686565,46.04772244444445,34.98777461403505,31.721800740740694,39.982116347826036,31.17511774999995,176.8824851596083,220.84691675385704,151.32984746760957,127.02958032428951,150.2688427047288,129.36673401980767,115.70423414059763,114.0557543074496,107.1484832401953,7.804511750000006,7.777557806451615,7.780616142857142,7.771768895522381,7.95251911111111,7.853402456140348,7.565807407407406,7.5229474782608685,7.230817400000004,1.202026508977563,1.5355528251612907,1.1157576225390724,0.9482464250802396,1.0970654424220745,0.9933673944243515,0.9208733252774084,0.927488514716958,0.8854259609245003,166.8208262670776,147.22020393394195,160.58328304010692,168.4803693858877,162.05693876410356,165.3970674005419,167.7145157575256,167.468292758417,167.72576835763954,5.236111111111111,3.0080645161290325,3.154761904761905,2.735074626865672,3.475308641975309,3.0955165692007798,2.5277777777777777,3.7010869565217392,2.0458333333333334,0.5178672270614686,-0.3198877546117236,0.13022896769468104,-0.038399295005276876,0.05565386409371176,-0.01928109599013897,-0.3745345608861083,0.38883317241238813,-7.756237895693417E-4,1206.5191628749992,13.004999277342975,59.11249459374973,30.935382042968882,-531.5310046015637,-664.0214695585948,-41.219964101562255,524.504159617188,426.26472953125074,1497.1588791229767,-191.8386737172498,-351.1622444904457,461.34071427523105,-449.16239617579276,-496.4840143465116,20.88726350121008,97.44137808894058,220.66059921994164,3.7016314999999946,-0.049527265624999095,1.2964963750000011,-1.5052997031249986,-1.6815611562499935,-1.8228068593749964,-0.6250061562500007,3.850227718749993,0.6290931249999935,6.644048701185877,-1.6206527738154883,-2.2075190459321465,2.346835873764884,-1.3152538460489067,-0.939610136982025,-0.01672014100191599,0.14505357329455315,-0.5488115066882197,37.70098017816085,-10.183453395654096,-12.493884066669802,12.51269564941107,-6.687426592638078,-3.661024549187493,-0.5884359583221582,2.107662678280542,-5.439286018256915,71.87499999999993,-0.8094618055555547,20.17708333333334,-19.31467013888887,-29.55989583333332,-38.72873263888887,-9.254340277777784,61.67274305555557,7.767361111111108,0.016183350845670894,-0.010318959826184632,0.002325517280262161,-5.731238060489086E-4,0.0010306271128465141,-3.3826484193226264E-4,-0.006935825201594598,0.00845289505244322,-1.939059473923354E-5,37.703723839843725,0.4195161057207411,1.0555802606026738,0.4617221200443117,-9.84316675188081,-11.649499465940261,-0.7633326685474492,11.402264339504086,10.656618238281268,46.78621497259302,-6.188344313459671,-6.270754365900816,6.885682302615389,-8.31782215140357,-8.710245865728274,0.3868011759483348,2.1182908280204473,5.516514980498541,0.11567598437499983,-0.0015976537298386805,0.023151720982142878,-0.02246715974813431,-0.031140021412036915,-0.031979067708333274,-0.011574188078703716,0.0837006025815216,0.015727328124999836,0.20762652191205866,-0.052279121735983494,-0.03941998296307404,0.03502740110096842,-0.024356552704609385,-0.0164843883681057,-3.0963224077622205E-4,0.0031533385498815902,-0.013720287667205492,1.1781556305675265,-0.3284984966340031,-0.2231050726191036,0.18675665148374732,-0.12384123319700144,-0.06422850086293848,-0.010896962191151079,0.045818753875663955,-0.13598215045642287,2.246093749999998,-0.026111671146953376,0.36030505952380965,-0.28827865878938613,-0.5474054783950615,-0.6794514498050679,-0.1713766718106997,1.3407118055555558,0.1941840277777777,-0.6376281355195974,0.14369813164399423,-0.03541440901296541,0.06368440767767268,-0.02090202734637924,-0.4285778185084554,0.5223204472950298,-0.001198181694517276,0.011126649120992498,0.02799671101683544,0.012246061476728274,-0.2610661693177097,-0.30897477170755094,-0.02024555112354157,0.30241745849662327,0.28264100075493864,-0.1322685392927116,-0.13402995667792686,0.1471733139055802,-0.17778360904544388,-0.18617120172748883,0.008267417575346065,0.04527596064912121,0.11790898203092663,-0.013811455666194176,0.2001428482085732,-0.19422492810002803,-0.26920040127851264,-0.27645381952975767,-0.10005696637240077,0.7235780446024125,0.13596018404317,-0.2517940446843617,-0.18986005544980708,0.16870388608544176,-0.1173094481394132,-0.07939442522226402,-0.0014912942620469675,0.015187551767674478,-0.06608157542135583,-0.27882436590806164,-0.1893680824761939,0.15851611335404409,-0.10511449420086053,-0.05451614302602715,-0.009249170405358017,0.038890238850356904,-0.11541951413576765,-0.011625370110643601,0.16041407867494845,-0.1283466724349268,-0.24371443907675805,-0.3025036020001697,-0.07629987475398116,0.5969082125603872,0.08645410628019329,1.6183314654974212,0.9135828204014771,1.2554932313142713,1.2584841631989796,1.0695822106310424,1.2120176845469846,0.10380194849583402,0.6406722967039721,0.9426344379727276,0.9502239703940374,0.9929870946840526,1.2979239987323499,1.323744158754129,0.9612900606991664,0.6086033988327834,0.5647937828034314,1.422355886428416,1.1820460867243348,0.7690524754072665,1.181167660113693,1.1368002234769372,0.9313174029306933,0.9120252514888764,0.8514204345671491,0.7258518304698897,0.7533310842607042,1.3197039552271181,1.4735308931670743,1.440550532399074,0.9884839918510221,0.038859269393016004,0.3799887968318837,1.7034930164826858,1.2814659352471225,0.7270081969546656,1.1613271582014795,1.0400283185906598,0.9191503386673756,0.9187443304573729,0.9975331674078298,1.7474126421175378,1.2884163215474689,0.7414445099672601,1.1696691385388003,1.027921398289133,0.9185208600369548,0.87950004901811,1.0152104269130418,0.5646376811594209,0.5117460317460322,1.0986459009301333,1.7551690821256059,1.7527519281295045,0.9608946144211854,0.15262339844570486,0.409739130434783,104.42320784269853,52.71160392134925,84.3372592850598,105.28035069984136,7.52002504998867,52.71160392134925,0.9999999999999787,1.6653345369377348E-15,1.189524669241239E-16,-47.64025051600485,76.11579065324375,5.436842189517411,6.06515803889985,104.45486361183877,52.725962964116746,84.35633801324997,105.30948845446284,7.522106318175917,52.725962964116746,0.9970623163947181,2.7755575615628914E-16,1.9825411154020653E-17,-50.148713772924125,76.12488277238882,5.4374916265992015,6.065325260530336,132.55464261094892,65.47933234935839,101.49955298474293,131.18666154332138,9.370475824522956,65.47933234935839,-1.5959779122321436,6.106226635438361E-16,4.3615904538845435E-17,-49.04487346841415,85.04287596511463,6.074491140365331,6.220417773403032,104.48808707903228,52.741033139953984,84.37636218934837,105.34006925121145,7.524290660800816,52.741033139953984,0.9939792008756925,3.3306690738754696E-16,2.3790493384824782E-17,-49.8934635934126,76.13442762345994,5.43817340167571,6.065500787287712,162.38802913546593,79.02942603905458,120.08571311558285,158.67730594344584,11.334093281674702,79.02942603905458,-4.329177057356759,8.881784197001252E-16,6.344131569286608E-17,-48.520302639196174,96.09967904612127,6.864262789008662,6.391540366652068,107.73908657822261,54.21581166086789,86.338759318944,108.33268950123392,7.738049250088137,54.21581166086789,0.6925367435131662,2.220446049250313E-16,1.586032892321652E-17,-50.46111474476402,77.08051897963956,5.50575135568854,6.08279080713289,101.31904982073364,51.1701178653947,84.81674800618742,102.62491142443781,7.330350816031273,51.1701178653947,2.4733333333334,7.771561172376096E-16,5.551115123125783E-17,-48.707246588870504,70.38120320267282,5.027228800190916,5.955496718571578,0,11.890000000000002,15.997924704104603,-0.31689266279138856,0.2625339411431011,4.180134765624995,7.350775230674278,13.0,31.0,29.0,29.0,11.0,2.0,2.0,0.0,0.0,2.0,25.42572599999999,3.5964071485882774,3.4710132418370288,3.159402997183951,2.997544348553848,2.7877109264582556,2.2585315408350874,1.919754869040509,1.8864877479659747,1.851127349232786,1.6712883683552742,1.640767695034785,1.4642122250381029,1.0576071472769735,0.8832135512713832,0.8356709201859266,0.6361082621957037,3.5275174380063667,3.3191740202867215,3.129916487990025,2.9971505052938094,2.6790191850381913,2.1765384514759014,1.888861201457767,1.821741032148848,1.8320346488492885,1.6744903816847239,1.5888344012134834,1.4346610154509059,1.1075743889762213,0.8366641630277256,0.7268931239948985,0.6025080531197373,3.687639260093128,3.5412156829955377,3.339898793069911,3.192910231784473,2.9330065849177434,2.5063919449272407,2.2717005846041096,2.210815906845384,1.6409412048672505,1.4213234656415608,1.3225753073463642,1.1870184918824878,0.8030676952135574,0.42344239711733794,0.28115673689295556,0.17255935948823392,3.5246633122687494,3.2879460809048764,3.1392518823062723,3.0148991329620314,2.6484332674974955,2.1637637732714325,1.9264158515024816,1.8469808408068709,1.827520564677167,1.6911334912450962,1.5558366359381564,1.407200993414087,1.130626503172951,0.811023751251281,0.6585942920027305,0.5709499521000573,3.7139462575883933,3.5480991707633773,3.404072384525617,3.2602567281188706,2.958178201801854,2.582133469125488,2.401596082190994,2.318809845994212,1.6045360143558003,1.3969774543025475,1.2562128502445356,1.1222360139941112,0.7782409388223395,0.34694080651387593,0.14357629921238774,0.05993794314820744,4.988067809209146,4.985519630538345,3.450964695034156,3.435387750553095,3.316096659691328,2.7967868834444056,2.613553164163882,2.5028720235205824,1.7182892728119146,1.3918236715432961,1.3602011956233686,1.2293505789659704,0.6951200819234284,0.47807858952292126,0.45102480306885573,0.21517747374395263,0,0,2,0,0,4,4,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5773502691896258,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.8164965809277261,0.9855985596534889,0.696923425058676,0.16666666666666666,0.20118446353109126,0.1422588984322123,10.811554787871634,6.701907262607799,5.072150750610878,3.206795678960467,2.2598722539017913,1.0689318929868221,0.6329795093937627,0.4705220308284977,0.7722539134194024,0.5155313278929076,0.3622964821864913,0.2466765906892667,0.18832268782514927,0.11877021033186913,0.07912243867422034,0.05881525385356221,8.875633848974738,5.015167193676994,2.8171491208272794,1.6224520910816391,1.004987977321909,0.5130237851453038,0.2762929288806348,0.1499198421397215,0.6339738463553385,0.38578209182130724,0.20122493720194853,0.12480400700627993,0.08374899811015908,0.05700264279392264,0.03453661611007935,0.01873998026746519,17.735646651740275,32.313182811361976,30.925490196078442,31.439999999999984,19.10794850299402,246.61507425149705,0.5542389578668836,1.0097869628550618,0.9664215686274513,0.9824999999999995,0.5971233907185631,7.706721070359283,1.673,51.73400000000003,59.4558370435541,92.85252777975718,118.9116740871082,8.493691006222015,59.4558370435541,1.2212453270876722E-15,8.723180907769087E-17,-48.074467415630224,79.48665988865771,5.6776185634755505,6.125824890412636,216,0.0,0.0,4.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,31.232702191987904,-0.3956317187368765,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.097874228395062,1.17,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.5486391898612317,0.0,2.9476236702210725,0.0,0.0,0.0,0.0,0.0,0.0,-0.3956317187368765,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.750086766187955,9.482615425799949,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.7413077128999745,-0.19781585936843826,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.40232253086419756,0.585,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7743195949306159,0.0,0.3821874999999999,0.0,0.0,0.0,0.0,0.0,0.0,-0.19781585936843826,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.875043383093978,4.7413077128999745,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.875043383093978,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5875868055555555,0.585,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7743195949306159,0.0,0.6782218442932729,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.875043383093978,4.7413077128999745,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,37.33333333333333,2.6666666666666665,0.5875868055555555,10.875043383093978,0.20403222631645246,-0.19781585936843826,3.0095508114085083,1.864482526035105,3.875043383093978,20.465404383975812,1.864482526035105,3.875043383093978,20.465404383975812,6.33332,0.45238,0.0,0.04762,0.57083,0.91905,0.42727,0.57083,0.91905,0.14356,0.0,-0.14356,0.0,0.49223,0.22206,0.0,0.26316,0.1579,0.0,11.0,0.78571,8.0,0.57143,3.0,0.21429,-5.0,-0.35714,0.0,0.0,11.75686,0.83978,18.59574,6.83888,0.48849,4.54303,0.3245,6.70189,2.15886,0.1542,0.21211,0.01515,0.21211,0.01515,0.0,13.04,4,4,4,4,0,0,0.8,1.3663146570363986,2.216917186688699,3.327819531114783,3.327819531114783,3.327819531114783,3.202819531114783,43.72206902516476,70.94134997403837,106.49022499567306,106.49022499567306,106.49022499567306,102.49022499567306,0.27326293140727975,0.4433834373377398,0.6655639062229566,0.6655639062229566,0.6655639062229566,0.6405639062229567,3.6336853429636014,2.783082813311301,1.6721804688852169,1.6721804688852169,1.6721804688852169,1.7971804688852169,0.270858030658827,0.4394813597496317,0.6597064885045135,0.6597064885045135,0.6597064885045135,0.6349265056081934,12.761433455288277,23.468028138615885,24.58762332943598,24.587623329435978,24.58762332943598,23.08762332943598,51.86835758125854,31.404509360396588,30.2169171866887,30.2169171866887,30.216917186688697,33.216917186688704,14.0,9.551020408163266,9.372781065088757,14,3,6,2.12,1.6664000000000008,0.09090909090909091,2.6615504235322356,0.8164965809277258,0.0,5.008288542409694,4.551187205107297,0.0,0.19999999999999996,0.0,0.0,0.14285714285714285,1.0690449676496974,0.14285714285714285,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.7630000000000001,0.7480000000000002,0.989,0.12,5.943999999999999,14.0,13.0,12.0,9.0,8.0,8.0,6.0,5.0,2.0,104.0,2.772588722239781,2.9444389791664403,2.8903717578961645,2.833213344056216,2.4849066497880004,2.3978952727983707,2.6390573296152584,2.1972245773362196,2.0794415416798357,1.0986122886681098,4.882801922586371,1.2596153846153846,0.45454545454545453,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,0.6923076923076923,11.0,0.8461538461538461,0,6.0,11.0,0.8333333333333334,2.5,1.1111111111111116,0.625,0.2400000000000001,0.11111111111111113,0.163265306122449,0.09375,0.07407407407407406,0.020000000000000004,0.01652892561983471,0.19230769230769232,0.0793650793650794,0.04807692307692308,0.020000000000000007,0.012345679012345682,0.020408163265306124,0.01171875,0.012345679012345677,0.004000000000000001,0.008264462809917356,0.4088324288496097,59.4558370435541,92.85252777975718,118.9116740871082,8.493691006222015,59.4558370435541,1.2212453270876722E-15,8.723180907769087E-17,-48.074467415630224,79.48665988865771,5.6776185634755505,6.125824890412636,52.60000000000001,211.40429436011115,4.807354922057604,4.007333185232471,4.6913478822291435,5.424950017481403,6.124683390894205,6.863803391452954,7.569927655242652,8.309676895987726,9.019300924562506,9.758288355043923,88.76931169812698,3.295836866004329,0.0,4.418840607796598,0.0,5.6937321388027,0.0,7.037905963447182,0.0,8.415603335654604,8.711607995897575,202.120509056,6.316265908,26.47499638216744,1.891071170154817,10.628217280721282,10.628217280721282,0.0,401.0,13.0,1.494,54.0,1.2439677419354838,2.1329100117358015,2.8639661814232684,3.731248427045636,4.8808234688621095,5.8056717352001685,7.082741204237876,8.13464783679,9.41104355341093,10.697992437050026,106.25292441061285,121.28228647232088,124.68083839007552,200.41443335490544,193.9059597848523,214.74348520698118,310.3407111349053,283.69681916143435,366.8780435723184,331.24487429447186,296.52389474381556,342.2361533301837,395.1536000016325,625.857642123159,682.6163424684855,743.222539074985,868.4948468046271,940.581870913066,1065.414720929102,1404.3684360605967,9.741951425161295,16.72075692441909,22.32734092559047,29.608784572665172,38.449992803893316,44.265179930576046,53.65944068414196,59.26021392475227,75.16243157552198,93.15206572160128,2.0173725498883863,2.4777792487137043,2.8888902379126993,4.484555699361929,5.130633825525627,5.745188738696453,6.9143179224908735,7.578482564516685,7.661936528060382,10.067834655395199,181.5051751725822,339.6290213911599,478.873551259222,592.2127372834238,799.5460404772111,960.8259201209081,1176.3438778530756,1351.3924532542453,1618.5003572113737,1827.6387745878237,3.834545698924731,7.050725993016547,7.955284879515874,12.723421381549214,15.230400421411428,15.204905050417688,26.9454082967215,17.461422849627883,33.29118771118846,43.59731291735556,0.4703000806451614,0.6101551091220998,0.7183699227104796,1.1016990811295355,1.2693965374393839,1.4023312317257384,1.6573415438093881,1.8126857236443523,2.124542373813384,2.745144297911869,517.4242370370558,689.3680817266767,21.652310685162814,199.87821207904372,-266.2991985627073,-31.616223516797795,317.54602495801214,955.667280289384,53.268534201960605,0.7213473726106124,0.9610563613384493,0.030185747604576024,0.27865262738938773,-0.37125092614817673,-0.044076558717674935,371.1496724587093,494.48541336501256,15.531255483489975,143.3731310492452,-191.0170673266844,-22.678394560401077,0.19623147100864843,0.2371019552008263,1.3329824696159773,4.97651474013919,607.6504180739963,109.65203104210315,0.8471327803533607,0.1528672196466394,1109.8876121123797,33.31497579336325,10.353638594387409,1284.2542615845573,35.83649343315494,10.869686166932246,2006.4518473539852,44.79343531538952,12.612743987184283,3.2293519452573785,3.2293519452573785,3413.190839844511,3293.7749090202046,146.13302633550938,1.0362550368870922,23.356738209253987,22.539565433059387,6.056873702272059,7.789857547987294,14.353407501371192,0.8425763774178074,5.046662076990555,7.637459325628261,5.55730143617599,26.07769995596634,10.65850791503856,3.36302895078821,9.253871047839024,9.08627874484368,13.243519904908059,1.7478215760094413,5.963013454045345,5.81339152109385,2.8881824947996484,2.3915746583761224,4.012196423779944,11.477564334437067,6.543917053473467,7.188663133291559,0.03607116863752203,2.3888365773808045,2.1154336045359066,5.913104844055791,0.7048862939435653,8.789324695968832,0.7868472705561205,1.5534670587962318,0.007575048632991949,0.2351384073946928,1.3930463873735503E-18,1.604900386284927E-57,0.45654641843306065,7.939511161594364,0.5302736155785787,8.249698185744885,0.3753305704477748,3.348749675872518,2.2056555262606117,0.8774622130545265,3.501238607166376,0.02872886597334373,5.440027258906203,1.484415131736794,2.217451120938401,1.1645670613619272,0.03269464269526847,3.899586245615606,0.4758188478980042,4.803024099156372,0.004625321062598306,0.37364987171325414,0.01687136136958031,0.21112444304044664,0.1414337855011669,0.32904327411783574,0.7583131181700584,0.026168883713673836,6.0501108230640456E-5,0.0016560990294397675,9.811339609107098E-21,1.1303444645742572E-59,1.3789526173097388,7.377337788958662,1.1549439562025683,8.434731031224867,1.0965825647701037,3.045931035634152,2.4656616095792177,1.5726501219921263,3.9554454493391047,0.1704126914515139,4.805667886642108,1.3888654081481955,1.0926777798147662,0.46719958285875923,0.3058085376557041,4.513372770416803,1.3025586220572565,3.546013587681837,0.009326769071385781,0.531609221623332,0.15982755172860302,0.8460002368026704,0.2564464531630515,1.3314193380108557,0.7641372721511878,0.15313856558910577,5.743339579429593E-4,0.017257828745825637,1.0224172330949635E-19,1.1779060821026815E-58,4.773867534536131,7.938600147946258,6.2324328142035,27.11104708952615,10.394027505251234,3.5348438775643722,9.593888795899963,9.550872991031191,14.120342574411794,1.5685770586826746,6.312711472939371,5.7076061375497815,3.4982485787623423,2.702442015284699,3.577844403047094,11.087912219327874,6.675363221702638,8.937577919004529,0.038072785044819264,2.9887555015129688,1.8861252812784624,5.431023506477683,0.6703921345263764,8.015071340088058,0.7851003329616123,1.3945963464275024,0.006754154754750963,0.20950408766436907,1.2411792513800452E-18,1.4299373502876167E-57,2.017158956557938,7.163723690075824,1.4208800392290635,9.173919701442344,1.7900947671132375,2.943300569353381,2.8763867206245872,2.0157200909418136,4.376508970208512,0.3297955232726803,4.6229356396887615,1.638744006059381,0.9489952588903376,0.4373003578936397,0.6533924283541106,5.24497540438923,1.828075301412813,2.951707569545002,0.012071626317722834,0.5165824908520785,0.3426968685250958,1.4251729543786864,0.3353990443930401,2.2346523043055075,0.7681354528811422,0.2951655960187734,0.001229937023216312,0.03748631014138978,2.2208268524492076E-19,2.558569409944507E-58,6.094621390264689,7.828348563951684,7.664458724250305,34.70786335194153,15.539159097347987,3.524658556842872,12.237951823619522,12.92300766199332,17.755937303885815,2.495555637869905,6.515903644730743,7.820317897803775,3.9638883709962753,3.480314642555173,5.8370282291236935,14.279189890516177,8.790583934453524,9.3828612444743,0.04650359561453003,3.4507613269334083,3.079491155114201,8.124923882514603,0.83260264095695,11.947069611247219,0.7933155045630385,2.215917219300479,0.01102417708722124,0.342927268507791,2.0316272352937606E-18,2.3405963823339678E-57,3.251955987315324,8.217374147074926,5.542655252443715,31.315744373650453,7.488616936590389,3.9476401269354082,11.625075786832452,12.321110043008453,16.943239023262315,0.6952103914719198,6.660298450459637,6.469177181244014,19.071607932369528,6.603675725223554,1.5147608848677225,9.955387672021756,7.240268315706237,13.24975888356855,0.05050338399088274,4.166440823273736,0.7976653189568098,2.73636320246547,0.562111174451163,3.945928504333697,1.156427277953665,0.6565531611885582,0.0028743185675891374,0.08814017769896854,5.221748224224052E-19,6.0158698361367505E-58,19.587325711023603,0.8486932779415799,0.414213384375,0.9394296121163919,0.04070425992118669,0.5472111454399959,0.5241973000472007,0.4999854431116807,20.85023237334018,25.088504252369045,52.82446735777441,0.9091444181745878,1.5713938885988772,16.23023751515406,0.656736620864594,0.0660611467312732,0.9573646986783938,0.03873858633048664,0.378097132376001,0.29551059942645674,0.012717487530847874,16.953035282749923,11.774564217778783,29.431744691549024,0.9360470480175906,0.6863252193333057,17.810950118998612,0.6438361817561002,0.2024689217250263,0.954639356465391,0.03450862273569348,0.4531178406713111,0.30163753257393355,0.11946091698499801,18.657255222479737,15.203854801044018,36.18288879746887,0.9319590346980865,0.8742162902302427,19.23964051765057,0.8659891924906304,0.3871941909750711,0.9388476966613939,0.04225816786740937,0.5282230978481456,0.5470006160073091,0.4368846340934717,20.49282390111627,24.44610378535271,51.39009429704463,0.9082715449920908,1.5121083479489263,18.599757635944766,0.6580801288983578,0.27697119512799845,0.9521340942753842,0.03368756409375864,0.49356309594909753,0.31570136143619787,0.22355187362794593,19.534808959971123,17.573997243850446,40.49896988842143,0.9282011414130764,1.0328163310132412,19.745355355278857,0.8850441003808633,0.43765027051596794,0.937217996535604,0.042008829098274504,0.5560675348642635,0.5699870550634113,0.5581661647402651,21.068049726175687,26.504410169735195,55.22062169171757,0.905826994803406,1.68422075466794,19.283169513725493,0.8850556316889682,0.3912670905270654,0.9379205134266496,0.04304851605925067,0.5307218913725901,0.5713960183347272,0.446124162826945,20.559492235941526,24.957840548676884,52.19496214258046,0.9068807701399744,1.5482420725342623 +UMLCN0369,L,diethyl azelate,CCOC(=O)CCCCCCCC(=O)OCC,Esters,,C13H24O4,BioCompoundML (2016),Unknown,PubChem,,47,0,-0.8471999999999975,0.7177478399999958,56.2208,42.09103199999997,0,0,41,17,24,0,13,0,4,0,0,0.0,0.0,0.0,0.0,0.0,2923.691112999998,2886.1952560000013,3503.115297000002,3196.9797999999987,3076.8471990000007,2584.5733400000004,2303.247426999999,2106.490697999997,1909.733968999997,7117.292696941036,8805.224822840672,11215.112793173146,11531.376916592788,11134.912540920746,10394.298873994429,9268.42367845767,8261.62533350252,7254.826988547394,312.676708,306.4316320000001,563.9030280000005,709.3632160000012,618.0907320000008,636.2986400000009,597.2083000000003,534.3233999999999,471.4384999999998,49.49922571637603,62.65010344000002,85.54549729673491,90.59709705856388,86.30612046897991,83.68652806037592,76.7917461431679,67.77021728377203,58.74868842437607,6828.155420961977,5862.9446764996,11765.270447143534,15725.050213970271,13187.940158377385,13864.498306946678,13493.449316022172,12014.494160983573,10535.539005944978,180.30555555555554,109.0,204.41666666666663,219.99999999999997,224.4166666666666,213.16666666666666,170.91666666666669,158.66666666666669,146.44444444444446,71.30953934146336,72.15488140000004,47.33939590540543,34.010423404255306,37.9857678888889,30.76873023809524,28.43515341975307,29.256815249999956,30.313237603174553,173.5925048034399,220.13062057101678,151.5555782861236,122.67422251694455,137.46805606074994,123.74165326183844,114.42498368466259,114.74479629864611,115.15598394519672,7.626261170731707,7.660790800000003,7.620311189189196,7.5464171914893745,7.630749777777788,7.57498380952382,7.372941975308646,7.421158333333332,7.483150793650791,1.2072981882042935,1.5662525860000005,1.156020233739661,0.9637989048783391,1.065507660110863,0.9962681911949515,0.9480462486810852,0.941253017830167,0.9325188638789852,166.54037612102383,146.57361691249,158.99014117761533,167.2877682337263,162.81407602935045,165.05355127317475,166.58579402496508,166.86797445810518,167.2307778721425,4.39769647696477,2.725,2.762387387387387,2.340425531914893,2.770576131687242,2.5376984126984126,2.1100823045267494,2.203703703703704,2.324514991181658,0.5305729384956793,-0.3200675137721798,0.1219355201205389,-0.05169359422430223,0.007718007016034766,-0.028888397907491307,0.018068191064223856,0.04834830737811616,0.011543165110489995,1467.651172487804,11.64525610945751,-73.98792656335549,78.40752054015599,-430.82401481736963,-590.31977856038,-12.708273256394012,-27.537535002973915,-42.36679674955366,1952.2444157102843,-197.34852366198757,-600.5797280602028,464.2297204137243,-411.5081910030194,-476.0241281041921,21.250786336852407,17.480476320179328,13.710166303506362,3.8669400975609722,0.002832295062463656,1.4480553361094612,-1.1027001261154028,-1.198627607376557,-1.3858241998810188,-0.3670580464009532,-0.4590592932778115,-0.5510605401546695,8.657009620155902,-1.617948235712666,-3.2028627804060825,2.3519389439743676,-1.320987702983609,-0.9400785226876067,-0.012934776649665941,-0.013022463886369656,-0.013110151123072483,48.65319238422408,-10.09445981669697,-17.601170650266276,12.719185897356953,-6.800691619533306,-3.61980448562995,-0.4404318010088717,-0.45478249694277284,-0.4691331928766792,74.59756097560994,0.17853129750809849,22.151150109062062,-12.929638442725903,-19.550465992464805,-29.48849890937931,-7.217132659131483,-8.951814396192752,-10.658718355476243,0.012940803377943398,-0.008001687844304495,0.0016477772989262015,-5.499318534500238E-4,9.528403723499711E-5,-3.4390949889870603E-4,2.230640872126402E-4,6.715042691405023E-4,1.832248430236507E-4,35.79637006067814,0.2911314027364377,-0.9998368454507498,0.8341225589378296,-5.318814997745304,-7.027616411433095,-0.15689226242461743,-0.38246576393019327,-0.6724888372945025,47.6157174563484,-4.93371309154969,-8.11594227108382,4.9386140469545134,-5.080348037074314,-5.666953906002287,0.2623553868747211,0.242784393335824,0.21762168735724385,0.09431561213563347,7.08073765615914E-5,0.019568315352830556,-0.011730852405483008,-0.014797871696006876,-0.0164979071414407,-0.004531580819764854,-0.0063758235177473815,-0.00874699270086777,0.21114657610136348,-0.04044870589281665,-0.043281929464947064,0.025020627063557104,-0.01630849016029147,-0.01119141098437627,-1.5968860061315977E-4,-1.8086755397735634E-4,-2.080976368741664E-4,1.1866632288835142,-0.25236149541742425,-0.23785365743603076,0.1353104882697548,-0.08395915579670749,-0.04309291054321369,-0.0054374296420848355,-0.006316423568649623,-0.007446558617090146,1.8194527067221935,0.004463282437702462,0.2993398663386765,-0.13754934513538195,-0.24136377768475067,-0.35105355844499175,-0.08910040319915412,-0.12433075550267711,-0.16918600564248004,-0.6183300688999537,0.12733191679078526,-0.04249595928389888,0.007363069699165773,-0.02657559108616651,0.017237267323977408,0.05189046224788714,0.01415869151801992,0.008132986731418386,-0.0279312355905343,0.023301875512067707,-0.1485853171349336,-0.1963220404616624,-0.004382909835792584,-0.01068448457991351,-0.018786509250926058,-0.10361522108897467,-0.17044670761338612,0.10371814835053103,-0.10669477030839054,-0.11901435510653502,0.005509848446896444,0.00509882883857407,0.004570375056445344,7.507492657712349E-4,0.20747694798067723,-0.12437869128827891,-0.1568973721415956,-0.17492233542115357,-0.04804698519316267,-0.06760093449405208,-0.09274172645233843,-0.19156695144987224,-0.2049852299957213,0.11849885290844427,-0.07723776753293116,-0.05300304267782063,-7.562926359577781E-4,-8.56597143637928E-4,-9.855600820837683E-4,-0.21266479762321572,-0.20043905604104556,0.1140260226964842,-0.07075230255150101,-0.03631435566075318,-0.004582116905400957,-0.005322844270309533,-0.006275208025192057,0.002453090658093124,0.16452192751849404,-0.07559929677050073,-0.13265735173714727,-0.19294459105640993,-0.04897099158992242,-0.0683341507274807,-0.09298730602746715,1.6158154636923432,0.9115145192315798,1.1682238283337973,1.13583413898183,0.9538397162556634,0.7468821392732738,0.7948660254759558,0.9401448233577708,1.0223849972854977,1.030301071549917,0.9613702832482699,1.1622552090190825,1.1885012423953603,0.9242007535121189,0.9480706980992312,0.9787606268540894,1.436743761378007,1.2591637251985461,0.8368459992629165,1.120886672570528,1.0928067160492205,0.9560626381081974,0.9474402150841806,0.9363542426247305,0.7132212887754754,0.7240425552377061,1.1775019128364794,1.2315384546821715,1.2249143655413943,0.8321306834316958,0.9293325582157328,1.0543063972237805,1.65615657683996,1.337388051909132,0.8099784066688337,1.111162381583871,1.031040476078194,0.9512785612698302,0.941015693115474,0.9278205769170158,1.6911512568200437,1.3393089669466618,0.8152920991160137,1.1126041133487437,1.018463750617083,0.9451952129856799,0.9384946893739817,0.9298797304446558,0.55408424609013,0.49233146830007907,0.9821019667314762,1.4646492168153078,1.4884098699694546,0.8252788054070435,0.9247149716333936,1.0523250466577783,166.05707245959582,83.5285362297979,134.93783592336143,166.93942540077228,9.819966200045428,83.5285362297979,0.9999999999999858,4.440892098500626E-16,2.6122894697062506E-17,-60.09586055454727,2000067.0321120336,117651.00188894315,24.6647751318316,166.09064851817982,83.54385541728729,134.95720627917314,166.97040938558695,9.821788787387465,83.54385541728729,0.9970623163947607,5.551115123125783E-17,3.2653618371328133E-18,-63.630911175402986,2000067.0355858956,117651.00209328799,24.664775134784282,195.98620451670942,97.19511330223854,152.3459798302514,194.57798871179853,11.4457640418705,97.19511330223854,-1.5959779122323425,2.7755575615628914E-16,1.6326809185664067E-17,-60.894866724265015,2000070.4406575228,117651.20239161898,24.66477802899569,166.12588763822612,83.55993341955092,134.97753646063694,167.00292810958703,9.82370165350512,83.55993341955092,0.993979200875728,8.326672684688674E-16,4.89804275569922E-17,-59.02722583352923,2000067.0392326796,117651.00230780468,24.664775137883943,227.89130915489767,111.7810660487705,171.20211926498578,224.07144704546533,13.180673355615605,111.7810660487705,-4.329177057356674,2.220446049250313E-16,1.3061447348531253E-17,-61.27421076149917,2000074.733232109,117651.45489600641,24.664781677551673,169.57542770598707,85.13398222475008,136.96957552128046,170.18648953849865,10.01096997285286,85.13398222475008,0.6925367435131164,1.1102230246251565E-16,6.530723674265627E-18,-62.45256096845108,2000067.400460923,117651.02355652489,24.66477544491763,166.56531919722036,83.71659945417798,139.1253287912644,167.96863118422192,9.880507716718935,83.71659945417798,2.4853479853479428,2.6645352591003757E-15,1.5673736818237505E-16,-57.049869456859575,2000064.7848633481,117650.86969784401,24.664773221733164,0,11.890000000000002,15.997927722320597,-0.31689266353234874,0.2625547138307681,4.190790283203118,7.544700407145769,16.0,40.0,38.0,38.0,14.0,2.0,2.0,0.0,0.0,2.0,31.984967999999988,3.590571932429848,3.5294046259551504,3.320995346566269,3.101203160874696,2.9759932197390033,2.7797700386180537,2.4019939572172495,2.00282229046804,1.910089546075567,1.7462906274319183,1.659350422811761,1.6269872320115573,1.437559494109159,1.1516830461453864,0.9292336442612894,0.8669615371782444,3.556249326050045,3.423632888629628,3.2370684612617553,3.100747688877199,2.971317050582158,2.706776543651749,2.339758709865392,1.9971865434508815,1.8670314522601554,1.7444308330960974,1.6374568500744604,1.5615390960407718,1.4022188629693049,1.1538456459429418,0.9182894625388329,0.7785561966388482,3.698512677098522,3.609621055833159,3.449100005823039,3.2981147345951074,3.1660069233477053,2.944286719387066,2.630221343521524,2.3479876774748596,1.6865163472990712,1.5306634863954705,1.3775508160762906,1.3031973216509605,1.1542407239792098,0.8607449892874038,0.5515349052706262,0.3438583235764795,3.56558260023733,3.410157216638117,3.222598732455259,3.1179426636993917,2.986580055687371,2.693667433810421,2.3305774993712323,2.021827197143926,1.8459740141190657,1.7523667290333709,1.629768792593243,1.5191390173308357,1.3764960525401613,1.1544905415351625,0.903847067746991,0.7172548739397648,3.738620589935678,3.626029454129604,3.483797711648078,3.371615586550202,3.229962238228833,2.9862930311914746,2.6973738512506764,2.4700813167398175,1.6400103942207471,1.5000530289427483,1.3348613660359683,1.2310826642452075,1.0923438549807374,0.8176840323863473,0.4890310657900213,0.2238018337138592,5.056316006589188,5.056255878692293,3.512201701876329,3.4666790460380565,3.445039399587256,3.1926817869346853,2.824856580855684,2.6524689603320453,1.7873346608994294,1.565284934299792,1.3617188629106218,1.339347955467403,1.2017336861401016,0.8393233705125637,0.525527315832365,0.455536575711112,0,0,2,0,0,4,7,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5773502691896258,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.8164965809277261,0.9855985596534889,0.696923425058676,0.16666666666666666,0.20118446353109126,0.1422588984322123,12.932875131431278,8.201907262607799,6.1328109223907,3.956795678960467,2.790202339791702,1.4397227048854204,0.9296493400044009,0.5948613524427102,0.760757360672428,0.5126192039129874,0.3607535836700412,0.2472997299350292,0.1860134893194468,0.11997689207378504,0.08451357636403645,0.05948613524427102,10.996954192534382,6.515167193676994,3.8778092926071004,2.3724520910816396,1.5353180632118195,0.8773004804419406,0.531956771210394,0.3136502402209703,0.6468796583843754,0.40719794960481215,0.22810642897688826,0.14827825569260247,0.10235453754745463,0.07310837337016172,0.04835970647367218,0.03136502402209703,22.361130063097868,40.97669337217774,39.10196078431371,39.720000000000006,24.503611976047935,315.6998395209581,0.5453934161731188,0.9994315456628717,0.9537063605930174,0.9687804878048782,0.597649072586535,7.699996085877027,2.843300000000002,65.58500000000004,90.7023038798462,143.6560931730074,181.4046077596924,10.670859279981904,90.7023038798462,7.771561172376096E-16,4.5715065719859385E-17,-59.144513715057045,2000068.3688851406,117651.08052265533,24.664776268050275,340,0.0,0.0,4.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,9.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,31.67510571108786,-0.22403042093788783,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.8984252666664005,1.0883680555555557,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.625563009721559,0.0,6.756695033461808,0.0,0.0,0.0,0.0,0.0,0.0,-0.22403042093788783,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,22.019467880134506,9.65563783095335,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.827818915476675,-0.11201521046894403,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.34500000000000003,0.5441840277777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8127815048607796,0.0,0.45671971727166527,0.0,0.0,0.0,0.0,0.0,0.0,-0.11201521046894403,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.009733940067253,4.827818915476675,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.009733940067253,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5735938934802571,0.5441840277777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8127815048607798,0.0,1.0543749999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.009733940067253,4.827818915476675,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,41.83333333333333,2.46078431372549,0.5735938934802571,11.009733940067253,0.17110344699484736,-0.11201521046894403,4.854558515680547,1.7786818771356108,4.009733940067252,21.350211422175708,1.7786818771356108,4.009733940067252,21.350211422175708,7.83332,0.46078,0.0,0.03922,0.54065,0.88039,0.4283,0.54065,0.88039,0.11235,0.0,-0.11235,0.0,0.52338,0.19091,0.0,0.21277,0.12766,0.0,12.5,0.73529,9.5,0.55882,3.0,0.17647,-6.5,-0.38235,0.0,0.0,16.50941,0.97114,23.74652,7.23711,0.42571,6.04303,0.35547,8.20189,2.15886,0.12699,0.21211,0.01248,0.21211,0.01248,0.0,16.04,4,4,4,4,0,0,0.8461538461538461,1.305239410639012,2.097826626770656,3.321358261804327,3.6253678580655513,3.759752614268647,3.662191638658891,53.51481583619949,86.01089169759689,136.1756887339774,148.6400821806876,154.14985718501453,150.14985718501453,0.24362608323986892,0.3915643982480018,0.6199395281541634,0.6766836523360985,0.7017668911151639,0.6835568997747792,4.052312593979072,3.259725377847428,2.0361937428137566,1.7321841465525325,1.597799390349437,1.6953603659591927,0.2420553740262564,0.38903989922937565,0.6159426460641796,0.6723209287997242,0.6972424505995006,0.6791498629492209,12.000287518790776,21.901081880175383,24.435755838129293,25.480734695817798,25.616171017038496,24.44543930972142,62.319269983497904,38.96496247422273,34.5445531541781,31.69036754854919,30.991289937624124,33.75135082107944,17.0,12.456747404844291,12.25,17,3,9,2.4499999999999997,2.0891000000000015,0.07142857142857142,3.0838959196507325,0.6963106238227915,0.0,10.683943158820739,5.004174505312983,0.0,0.12499999999999997,0.0,0.0,0.09999999999999998,0.894427190999916,0.09999999999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.7630000000000001,0.7480000000000002,0.989,0.12,7.440999999999999,17.0,16.0,15.0,12.0,11.0,10.0,9.0,8.0,8.0,139.0,2.9444389791664403,3.091042453358316,3.044522437723423,2.995732273553991,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.6390573296152584,5.1298987149230735,1.20863309352518,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,0.75,14.0,0.875,1,7.0,14.0,1.0,2.5,1.1111111111111116,0.625,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.049382716049382706,0.08000000000000003,0.049586776859504134,0.15625,0.06535947712418304,0.0390625,0.016000000000000007,0.013888888888888893,0.011131725417439701,0.009375,0.005486968449931412,0.010000000000000004,0.006198347107438017,0.34716625615397745,90.7023038798462,143.6560931730074,181.4046077596924,10.670859279981904,90.7023038798462,7.771561172376096E-16,4.5715065719859385E-17,-59.144513715057045,2000068.3688851406,117651.08052265533,24.664776268050275,52.60000000000001,263.29224823771125,5.08746284125034,4.204692619390966,4.890349128221754,5.616771097666572,6.315358001522335,7.046647277848756,7.749753406274437,8.481980435660493,9.186969385652942,9.919114808421828,96.41163616066008,3.4965075614664802,0.0,4.61512051684126,0.0,5.877735781779639,0.0,7.207118856207756,0.0,8.57035473953047,8.871505346165781,244.167459248,5.955303884097561,32.47475349743103,1.910279617495943,10.632365040303352,10.632365040303352,0.0,744.0,16.0,3.201,66.0,1.24525,2.139727269531023,2.8679295095069537,3.6960134427063913,4.906782619676532,5.865159028535567,7.167872913637993,8.264961979736915,9.539806240758493,10.658540479075484,100.84586398104993,110.65265750563537,111.08846375224174,168.01382694291786,173.40076886147165,195.53478460097642,235.95495324861292,281.00323998300036,331.1901573722952,454.67121455979117,297.33751463183233,344.26801472986784,384.4465575805138,578.2856990572433,661.6966992711704,745.9819846027502,886.3990591028864,1025.877013803362,1169.1583627057596,1286.0796890637153,9.599616457000002,16.408035002210376,21.706997199234014,28.254239711348948,37.28065246103826,43.52155958986267,53.454403303553434,62.16199848177784,72.50067701941583,80.57823123904369,2.0679320512179986,2.580021614486176,2.946053978392352,4.368212205567626,5.203390384176073,6.004108276068236,7.108858135518462,8.130864665893204,9.14111569992019,10.305780580809106,180.7134054238001,337.1910666859242,476.00691636612055,588.121322335987,801.2682872896106,962.921991009193,1185.4465339225005,1368.6813990958901,1589.2176889674895,1772.0627933957785,3.4792041666666655,6.162911846292649,6.823669563221238,10.227020855484778,12.572152448125992,12.766101819771553,16.185607343703953,19.658310293909054,24.62481045023548,39.76287243327617,0.46880212499999985,0.6102683839582971,0.7008155433157195,1.0271756366757412,1.2280607100914867,1.3980066806447233,1.6774168104332365,1.9467303156999296,2.234753888687279,2.468968097394431,644.2940856851616,961.1792788688583,25.053118881654616,213.32360686286205,-318.24322955269974,-33.019963770504916,430.9704788222995,1279.4225084215582,58.07308265215953,0.7512602541709846,1.1207549555247027,0.029212455735632727,0.2487397458290154,-0.371078199899519,-0.038501961955100306,552.5580070876468,824.3243552684835,21.485998006415954,182.95009948374948,-272.9310241980173,-28.31850513687976,0.17524777628996632,0.21174798427275904,1.1904421468838307,4.444362190246816,744.5838351891016,113.03385735892213,0.868200180172248,0.13179981982775227,1296.1323195508294,36.0018377246333,10.903094594644445,1528.6211855137328,39.097585417947904,11.519491043559402,2354.881979053145,48.52712621877732,13.30422911668067,4.010342477026305,4.010342477026305,6853.161493337945,6729.242151522678,160.62413658299192,1.0184150516544017,42.66582618980819,41.894339759117,7.083055768117153,9.053140357589678,18.048704018483154,0.9936401409431443,6.720065397606917,10.483011248758162,6.4462989555566175,40.99633324830741,16.583056861086583,3.36307587249031,11.636780744405424,9.480162048302965,26.560885676909493,1.8801903622205116,5.962279967243163,17.454641242844083,3.0996393228579815,15.583169944459648,4.012521445215346,13.500214696530119,9.090422315203941,1.312136788463167,1.85998613032141,2.0535509522992594,15.734774407501334,7.16424346288425,4.612571687677913,0.025177252042428537,1.8962037002090522,1.574774449890363,6.933839111998053,3.708496594362065,3.7491105709189534,3.468507512506019,0.5969835633189894,10.784936768664226,0.5966244119022988,11.28987598342151,0.4175296028504741,3.3487962135971903,2.5733325196683423,0.8802374318978989,6.740400000505445,0.029660711218841167,5.435466023740933,2.3843753984013523,0.5566017880810057,4.1306401803068855,0.03267053432468643,5.743550262377481,1.884231399795273,0.650058208328069,1.8921978793923964,0.025988764080330365,7.16377698417838,0.34154217374157914,3.5734196989509748,0.005341497797694872,0.10858884776571058,1.4983737350750197,0.6766999455727124,1.1364944017790404,0.41910037292836955,1.056934343985748,1.8323008403414038,10.22277207295404,1.3745729265211935,12.27834589349685,1.5326234678999233,3.0459775990169153,3.2446491040458207,1.6015616671422017,8.464531735431118,0.18012749202161346,4.801459449567995,4.252898869317182,0.7674825983708226,5.248485744273446,0.3058259246484139,5.900915938734082,2.2279013012341906,0.7236358502711123,1.0909935838247506,0.18032972271076678,6.775650339209745,1.2722232650937284,2.417153879626372,0.006294088258963133,0.34506232899292894,0.9456422187583493,1.6156315773722625,1.0677228276391242,0.7260255357327097,1.278051220429876,6.353423764338834,10.784138286251649,7.0658887916247775,40.72895982852383,15.6730189186913,3.5348907571091073,11.853412724341895,9.901816657393654,26.526099302746054,1.6865133712051261,6.313081358631562,16.62171260472764,3.1050942231736576,15.76941969847001,3.5781208300221965,13.457535404642403,9.247229334286898,1.2522199050060472,2.3704154753524835,1.8376127414477517,16.369021331092757,6.583521882024305,5.766196350515297,0.025034780391394118,1.7502438648696774,2.0036522562411716,7.60673783441832,3.674733578367942,4.708965516206915,3.224953576814092,2.6853108250416047,10.009169009893933,1.7500770531212393,14.050439415273775,2.7360725157244943,2.943347166003247,3.9377382889818517,2.0785172065554636,9.995198515750994,0.3508982916305653,4.61871902266268,5.91949160398973,0.935546053780083,6.191458298912267,0.6534432339091893,6.456376787909181,2.7082582418904617,0.7923859335252058,0.8207180091482792,0.3633391016935519,7.410592115218073,2.04836836238077,2.1389493356832117,0.00779493010743973,0.5453780013959938,0.720979488216877,2.062551997617281,1.2140098797781576,0.7189246803871991,1.510347099226864,8.115498247133784,10.67395839749843,8.76498273326029,55.093679657206756,24.178017567593674,3.524705655811042,15.077720135245785,13.497445965277334,34.70094495130893,2.688602637435474,6.5171547034034205,22.272512690713135,4.271665738671906,19.8522531351691,5.837502128014881,16.605548683757952,12.080844967162669,1.5653001362621206,2.3608188188903956,2.957318931809617,19.00978588515771,9.500968939979963,5.916141729564494,0.033096438217317344,2.512698103853338,1.978451354193238,9.233809819690073,4.874121291299308,5.475563332815884,4.479187108871703,4.355404535337028,11.028865603038557,6.255859187331118,39.78958148289864,10.0870127489505,4.100725685566553,13.520943196586142,12.952154129067528,24.995387117496918,0.7736916223731585,6.918261337111604,13.023478999699945,3.395033790998652,17.162992395063693,1.5735474697687855,11.58065587809563,11.33399817094333,1.0481868019013603,8.331938200225823,0.8287896389829574,21.4000434128467,3.528357635019823,11.746741844780644,0.027574183933734123,1.031334499356379,6.552438619233532,9.806423554056455,3.2944876059131984,5.109206824514896,2.3084974124600635,29.25071334986805,0.8469645527154784,0.4441440073170733,0.9577265376033766,0.027731304151207885,0.5292346311920373,0.5672714657737168,0.5365729503566358,30.5418219099006,38.14202062357164,79.68720711939297,0.936589806405065,1.63307904732239,27.48409878302413,0.6085826623550723,0.07512588879184395,0.9757273066009119,0.02160561009009693,0.4672382843479965,0.29288229144217276,0.015351839029645481,28.167807334171048,18.836833671932883,48.261222616330265,0.9635909599013678,0.7754724148198147,27.87018505383146,0.6193467087509674,0.22062016602422654,0.9707432103855134,0.021572393984228742,0.48045755641042,0.30333896806648714,0.1323949975917607,28.710151928606653,23.546672612784327,56.06501704254672,0.95611481557827,0.9161915220686678,29.228293545169983,0.8566801300122222,0.41947416456870634,0.9581649764229482,0.028083777635072173,0.528423647252425,0.5803606182105937,0.47862083206782857,30.50444783975091,37.6591675127802,78.6669540943136,0.9372474646344222,1.5874050975308474,28.164712377138144,0.649793266392642,0.29672361923594415,0.9674861931426859,0.022321052145459475,0.4906660182465673,0.3338955207992178,0.2394889043223382,29.11122926276673,26.851184853592862,61.39282441994746,0.951229289714029,1.0640504433681233,29.449791317775258,0.8840544487848199,0.46968427073832597,0.9560524810668136,0.028699777191586937,0.5364629984953598,0.6180427982714112,0.600057950826874,30.803530037298405,40.282549257819404,83.31441215885984,0.9340787216002205,1.754563747593645,29.236824992048593,0.8726942635355748,0.4231660277468906,0.957558259967723,0.028582296494308393,0.5287321751033757,0.6022609628331427,0.48708275235206433,30.53268528333106,38.256135115308396,79.58582096424203,0.9363373899515847,1.6180758902885826 +UMLCN0370,L,diethyl butanedioate,CCOC(=O)CCC(=O)OCC,Esters,,C8H14O4,NREL (2014),CFR,PubChem,,21,0,0.5928000000000007,0.3514118400000008,41.662800000000004,26.623101999999978,0,0,26,12,14,0,8,0,4,0,0,0.0,0.0,0.0,0.0,0.0,2192.2098679999986,2043.8037709999992,2534.5726119999995,2213.1961549999974,2093.0635539999994,1923.7465359999985,1247.0047099999979,1126.7713089999986,530.4804979999996,4688.870743885086,5540.2741503888365,6647.377234861462,6497.385191817141,6100.92081614511,5365.641548724322,4285.939329607812,3351.9685864506264,2290.1438364863347,207.7894880000001,197.55273200000005,350.25548799999996,394.9387159999998,303.66623200000004,322.261024,289.23269600000015,246.7727560000002,157.20557600000006,31.108596667885976,37.57016034000001,47.107046572490034,45.489452761584026,41.198476172,40.537724734792036,35.417038436980015,24.44102460618798,16.449193072000003,4345.007120269486,3697.747418920601,7144.259452314292,8330.274438777284,5793.164383184399,6595.635302773094,6709.030734305581,5359.388993887588,3088.2902233853997,159.05555555555554,82.75,158.16666666666669,158.77777777777777,165.5,200.25,81.83333333333333,108.25000000000001,75.0,84.3157641538461,81.75215083999997,57.60392299999999,45.1672684693877,58.14065427777776,48.09366339999996,31.17511774999995,36.34746158064512,29.471138777777753,180.3411824571187,221.61096601555346,151.0767553377605,132.59969779218656,169.4700226706975,134.14103871810806,107.1484832401953,108.12801891776215,127.23021313812971,7.991903384615388,7.902109280000002,7.960351999999999,8.059973795918363,8.435173111111112,8.0565256,7.230817400000004,7.960411483870974,8.733643111111114,1.1964844872263838,1.5028064136000003,1.070614694829319,0.9283561788078373,1.1444021158888888,1.013443118369801,0.8854259609245003,0.7884201485867091,0.9138440595555557,167.11565847190332,147.90989675682403,162.369533007143,170.00560079137313,160.9212328662333,164.89088256932735,167.72576835763954,172.8835159318577,171.57167907696666,6.117521367521367,3.31,3.59469696969697,3.240362811791383,4.597222222222222,5.00625,2.0458333333333334,3.4919354838709684,4.166666666666667,0.5131997069805845,-0.3066547560756773,0.18075689153803048,-0.04011299483848982,-0.3718406869358769,0.3577926141418872,0.003986253296605349,-0.030202328251291467,-0.08049342962530653,1025.1234673846147,14.153407899407725,150.2262090414199,-27.122109071005752,-649.2071839171605,-143.81361813017742,478.69212171597724,9.714205733728065,-699.6566086508878,1191.9105561254678,-186.11772756788272,-176.11326906736747,456.2312080947685,-491.7489147465603,-434.5184125556357,241.22877914167736,153.18939010893735,-279.95773577671554,3.546088615384618,-0.10631566863905292,1.114093727810651,-1.979113775147922,-2.2624974674556144,2.4055498224852077,0.8691368994082763,-1.0205028875739632,-2.098652733727805,5.30203154394739,-1.6234976681514712,-1.5482316021989533,2.3414229104743085,-1.3092957479709875,-0.7765212965116672,-0.5523037438007488,0.4132412070506508,0.7880070101815005,30.392433516747356,-10.277282742405514,-9.229520033022082,12.28772831706669,-6.57977687242491,-0.9562284662501395,-5.51513814063147,1.2618459744199748,6.9402279282738455,69.20512820512819,-1.880999342537803,17.74260355029585,-26.95282708744244,-38.510519395134764,29.27202498356345,11.859631821170275,-11.415516107823812,-33.82149901380671,0.019738450268484017,-0.012266190243027093,0.004108111171318874,-8.18632547724282E-4,-0.010328907970441024,0.00894481535354718,9.965633241513373E-5,-9.742686532674667E-4,-0.004471857201405919,39.42782566863903,0.566136315976309,3.4142320236686343,-0.5535124300205255,-18.033532886587793,-3.5953404532544355,11.967303042899431,0.31336147528155045,-38.869811591715994,45.84271369713338,-7.444709102715309,-4.002574296985625,9.310840981525887,-13.659692076293341,-10.862960313890891,6.0307194785419345,4.941593229320559,-15.553207543150863,0.13638802366863917,-0.004252626745562117,0.025320311995696617,-0.04039007704383514,-0.06284715187376706,0.06013874556213019,0.021728422485206907,-0.03291944798625688,-0.11659181854043361,0.20392429015182267,-0.06493990672605884,-0.03518708186815803,0.04778414103008793,-0.03636932633252743,-0.01941303241279168,-0.013807593595018718,0.01333036151776293,0.043778167232305584,1.168939750644129,-0.4110913096962206,-0.20976181893232004,0.2507699656544223,-0.18277157978958083,-0.023905711656253485,-0.13787845351578676,0.04070470885225725,0.38556821823743587,2.661735700197238,-0.07523997370151213,0.40324098977945116,-0.5500576956620906,-1.0697366498648546,0.7318006245890862,0.2964907955292569,-0.3682424550910907,-1.878972167433706,-0.6214363375128933,0.20812734107490757,-0.041474003105065244,-0.5232886994645665,0.45316705373922817,0.005048842794626738,-0.049358923320492985,-0.22655563839001294,0.014358801338279603,0.08659447904539969,-0.014038624261768266,-0.4573808618853588,-0.09118789566207747,0.30352429635546063,0.007947723973295306,-0.9858472013746656,-0.16239678025825158,-0.08731102446136195,0.2031040536352042,-0.297968662294691,-0.23696154607379125,0.1315524102343672,0.10779451805510296,-0.3392732735218385,-0.031180353165715376,0.18564908644188183,-0.296140936406298,-0.4607967047492164,0.44093860989026407,0.15931327326801864,-0.24136611925865395,-0.8548537870429055,-0.3184510618019597,-0.1725497332463978,0.23432294894596611,-0.1783472008432653,-0.09519725383542381,-0.0677094110992805,0.06536916964545228,0.2146785319184513,-0.351678783675287,-0.17944621937677585,0.21452770813571764,-0.15635671529594827,-0.020450764586524287,-0.11795171944474524,0.034821904918390746,0.32984438934938565,-0.028267259478819307,0.1514955033850921,-0.20665376191232307,-0.40189439161280577,0.27493361738915656,0.11139002099543036,-0.13834673933396296,-0.7059198880243713,1.5967626613621568,0.878080117718307,1.3834363233955027,2.003643218489867,0.39290540896161613,0.5242544857711555,1.226728348117215,1.6574417489102469,0.8732357842551868,0.8794764758746462,1.047702088207116,1.519840625964871,1.075348714152893,0.5360758843781473,1.0179156542599126,2.154906423204178,1.4088623589502995,1.0946840639432398,0.6797466378032758,1.270090572130274,1.1937181913980102,0.8624751846655688,0.7294256947648109,1.1080930141685177,0.7443141687291769,0.7919295249824665,1.5054189442507273,1.842105528921176,0.6339689285390753,0.3198841379988937,1.4171570598452083,2.66901896831228,1.7550333144595363,1.2167990719499284,0.6172004317027677,1.233139430848176,1.0741945430085533,1.0080826947014125,0.699556044457016,0.5560065224262455,1.8078626042355592,1.2316152004527834,0.6471014650902891,1.2555128460733398,1.0118342340099857,1.015597330272378,0.7302392124676282,0.49976492310375786,0.5791959985179698,0.5373061852313428,1.2506364161077552,2.1663544797112793,1.1223678522909721,0.3431826602445351,1.3177670343854957,2.5588180807706564,70.85876178897873,35.929380894489356,56.37869946236863,71.69209512231205,5.974341260192671,35.929380894489356,0.9999999999999858,1.942890293094024E-15,1.6190752442450199E-16,-40.64951962649716,55.05602449980885,4.588002041650737,4.810021552863609,70.88870635083285,35.94288433361382,56.397586930109284,71.71959161449517,5.976632634541264,35.94288433361382,0.9970623163947891,4.440892098500626E-16,3.700743415417188E-17,-42.42060745026866,55.06673455864712,4.588894546553926,4.810254966387867,97.41161004577359,47.90781606677071,73.3662874213468,96.08162845224678,8.006802371020566,47.90781606677071,-1.595977912232172,1.0547118733938987E-15,8.789265611615822E-17,-41.38261052528473,65.5954652413368,5.4662887701114,5.0202078793703855,70.92013368151774,35.957056441196755,56.41741042507837,71.74844968224755,5.979037473520629,35.957056441196755,0.9939792008757635,5.551115123125783E-17,4.625929269271485E-18,-44.91593730028446,55.07797835377918,4.589831529481598,4.810499963244249,125.48077687569472,60.575799909169,91.69106609592384,121.87312932789744,10.15609411065812,60.575799909169,-4.329177057356723,3.3306690738754696E-16,2.7755575615628914E-17,-42.7658259372108,78.29760279891856,6.524800233243213,5.232620384319818,73.99447830150655,37.343507522509874,58.360378981092204,74.57159225443422,6.214299354536184,37.343507522509874,0.6925367435132017,5.551115123125783E-16,4.625929269271486E-17,-42.152835188691604,56.19439527973433,4.682866273311194,4.834580428569432,65.30271738551554,33.24599751065248,54.05968160049648,66.53201443692691,5.544334536410576,33.24599751065251,2.460317460317455,1.6653345369377348E-16,1.3877787807814457E-17,-43.59760255388274,49.10647461212158,4.092206217676798,4.672789070321118,0,11.889999999999993,15.997922694479001,-0.3168821844248278,0.2630356557589252,4.143601562499995,7.0584851284349375,11.0,25.0,23.0,23.0,9.0,2.0,2.0,0.0,0.0,2.0,21.052898,3.603930858673932,3.375317489281856,3.060979840559159,2.9050205568212273,2.348305409102894,1.9170618678019489,1.882901887020598,1.435175501936169,1.761318488552844,1.6556072534394954,1.6044386914968416,1.1106538608766838,0.8802651656041518,0.8244698875337471,0.4414971152808624,0.3644766564340102,3.489272858710796,3.219966386674825,3.06585812663619,2.822853095097792,2.202941969527227,1.8791376381180263,1.8056691189792407,1.4275246208119285,1.7863678936118355,1.6340823379371452,1.5360125369323974,1.2053788368373017,0.8386069835217204,0.7181302195326681,0.5505371292438292,0.3682548610110235,3.6741095821691676,3.460708147780109,3.2656369544408004,3.057244838860666,2.546675344514525,2.2659898531459852,2.198965525670516,1.879413583712967,1.5760706568956577,1.3637470862614798,1.2762774978612992,0.9256056768850901,0.419547751285189,0.27131041438093745,0.1252516000130154,0.1414415291245418,3.467281018199737,3.1993730955645057,3.0871474175282034,2.7933203486079132,2.169113074580427,1.9156700815028573,1.8213794201560791,1.4617987566004702,1.8048584228911058,1.6353654897723153,1.4925395185993036,1.2400965161178896,0.8275956963728772,0.6520521497547883,0.5464514043432086,0.3186896096392924,3.6824056067766255,3.480882625487891,3.342072448266814,3.0801581812920995,2.598661904887499,2.394007087292017,2.2956063631457493,2.024293332371469,1.556417957190734,1.320035269948412,1.2005674102661328,0.912606552709897,0.3559861380146886,0.13414590417139008,0.03359945904474047,0.28081166568017757,4.929451509271937,4.899659250351409,3.414881321876179,3.403785291401723,3.0087584617181684,2.6008454500898956,2.513991191548997,1.913232110546404,1.5789770395817668,1.3871214748252667,1.3566094288708086,0.7360904779764117,0.49058219967750016,0.45428107561543246,0.17445156358181804,0.22296632347456302,0,0,2,0,0,4,2,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5773502691896258,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.8164965809277261,0.9326256854541918,0.8577107283236621,0.16666666666666666,0.18392556509887897,0.12240903852030705,9.397341225498538,5.701907262607799,4.365043969424331,2.715214055163271,1.843309287977151,0.9410440616569954,0.4511844635310912,0.32618446353109126,0.7831117687915449,0.5183552056916181,0.36375366411869425,0.24683764137847916,0.18433092879771512,0.11763050770712442,0.0751974105885152,0.06523689270621826,7.461420286601642,4.015167193676994,2.1100423396407315,1.1438987004883654,0.6704369879590275,0.2998396842794431,0.1310943487475822,0.06934223176554563,0.6217850238834702,0.3650151994251813,0.17583686163672763,0.10399079095348776,0.06704369879590275,0.037479960534930384,0.02184905812459703,0.013868446353109127,14.651991044168536,26.53750910415149,25.474509803921578,25.91999999999999,15.51083952095808,200.55856407185632,0.5635381170834053,1.0206734270827496,0.9797888386123683,0.9969230769230766,0.59657075080608,7.713790925840628,0.8927999999999998,42.50000000000001,42.30321813876381,64.72505501287915,84.60643627752762,7.050536356460636,42.30321813876381,2.7755575615628914E-16,2.312964634635743E-17,-42.98461180536354,58.816472783064924,4.901372731922077,4.8893063580503116,148,0.0,0.0,4.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,30.690914115646258,-0.7119387755102036,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.4133255385487526,1.3618055555555557,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.4489372323003273,0.0,0.9054207608969511,0.0,0.0,0.0,0.0,0.0,0.0,-0.7119387755102036,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.443517573696145,9.247396541950113,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.623698270975057,-0.355969387755102,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.41699440192743764,0.6809027777777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7244686161501637,0.0,0.10384259259259254,0.0,0.0,0.0,0.0,0.0,0.0,-0.355969387755102,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.721758786848072,4.623698270975057,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.721758786848072,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6809027777777779,0.6809027777777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7244686161501637,0.0,0.348867787855883,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.721758786848072,4.623698270975057,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,34.33333333333333,2.8611111111111107,0.6809027777777779,10.721758786848072,0.24646683673469383,-0.355969387755102,2.02673705845301,2.0226360544217687,3.721758786848073,19.381828231292516,2.0226360544217687,3.721758786848073,19.381828231292516,5.33332,0.44444,0.0,0.05556,0.60256,0.95556,0.42632,0.60256,0.95556,0.17625,0.0,-0.17625,0.0,0.46511,0.24918,0.0,0.3125,0.1875,0.0,10.0,0.83333,7.0,0.58333,3.0,0.25,-4.0,-0.33333,0.0,0.0,8.80548,0.73379,15.3124,6.50692,0.54224,3.54303,0.29525,5.70189,2.15886,0.17991,0.21211,0.01768,0.21211,0.01768,0.0,11.04,4,4,4,4,0,0,0.75,1.4195562985716133,2.1887870678023824,3.0269868333592873,3.0269868333592873,3.026986833359287,3.0269868333592873,36.90846376286194,56.90846376286194,78.70165766734146,78.70165766734146,78.70165766734146,78.70165766734146,0.30200500031793037,0.4656558107435943,0.64397950295518,0.64397950295518,0.6439795029551799,0.64397950295518,3.2808834195694794,2.51165265033871,1.6734528847818053,1.6734528847818053,1.6734528847818058,1.6734528847818053,0.2985467685461994,0.46032362843631663,0.6366053522784737,0.6366053522784737,0.6366053522784736,0.6366053522784737,13.408324955335429,23.25369643533543,24.098455140880212,24.098455140880212,24.098455140880212,24.098455140880212,45.141144450792424,29.50442211288225,29.024677142700288,29.024677142700288,29.024677142700288,29.024677142700288,12.0,7.638888888888889,7.43801652892562,12,3,4,1.9,1.3846000000000003,0.1111111111111111,2.2493653007613967,0.9428090415820635,0.0,1.8948485120271366,3.7829664360127033,0.0,0.33333333333333337,0.0,0.0,0.19999999999999996,1.2649110640673518,0.19999999999999996,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.7630000000000001,0.7480000000000002,0.989,0.12,4.946,12.0,11.0,10.0,8.0,6.0,5.0,2.0,1.0,0.0,78.0,2.6390573296152584,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,2.1972245773362196,2.0794415416798357,1.0986122886681098,0.6931471805599453,0.0,4.624972813284271,1.294871794871795,0.4444444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.6363636363636364,9.0,0.8181818181818182,0,5.0,9.0,0.8,2.5,1.1111111111111116,0.5,0.3200000000000001,0.1666666666666667,0.12244897959183672,0.03125,0.02469135802469135,0.0,0.0,0.22727272727272727,0.09259259259259263,0.045454545454545456,0.032000000000000015,0.02083333333333334,0.02040816326530612,0.00625,0.012345679012345675,0.0,0.0,0.4571570409308505,42.30321813876381,64.72505501287915,84.60643627752762,7.050536356460636,42.30321813876381,2.7755575615628914E-16,2.312964634635743E-17,-42.98461180536354,58.816472783064924,4.901372731922077,4.8893063580503116,52.60000000000001,176.81232510837782,4.584962500721156,3.8501476017100584,4.532599493153256,5.272999558563747,5.978885764901122,6.725033642166843,7.4413203897176174,8.187299270155147,8.90910013492555,9.653422343655654,83.55080819894899,3.1354942159291497,0.0,4.2626798770413155,0.0,5.54907608489522,0.0,6.906754778648554,0.0,8.299783171949787,8.59062950948942,174.089208928,6.695738804923077,22.475829129835134,1.8729857608195946,10.613996390725625,10.613996390725625,0.0,244.0,11.0,0.778,46.0,1.2426000000000001,2.1252664196623736,2.8589083707102487,3.784383545836482,4.837955346617075,5.701635434765022,7.00067541257473,8.23982208578915,9.344080776287061,10.102697172626417,112.02045553547994,133.20035531375612,142.06526615210228,248.78204661001317,256.594546409167,207.51322260450124,277.5050910016466,258.3732270546655,181.11431061134488,50.61476626599014,295.65603352993077,339.9580057002346,408.8499574548734,697.4488211267699,698.2649790081525,679.2270197215936,801.3465214107277,1090.6476295758503,1099.8760011959762,618.3635873781247,9.893775391199998,17.071384534168235,23.120784708060043,31.642023304309994,39.165587500253395,41.66722588076014,55.96615515195302,71.68028468862572,65.89966744786285,69.32680326091219,1.9634424151367995,2.3631438689082,2.8158035903711354,4.662398534031223,5.180542679215349,5.421087291827687,5.742819648073783,7.816482165052845,10.06750391120053,6.925400230281202,182.3497295712831,342.362485757636,482.54135397291304,598.3391138302215,790.6682890600234,943.318996756281,1202.521714402468,1405.948406035218,1484.4091253369215,1752.4946331202268,4.213576666666667,8.04615397570698,9.404544112738721,16.74797117399836,24.664361265191605,12.4956461279812,24.86758213471084,33.348539004320486,15.89538478016351,13.74075434083583,0.4718979000000001,0.6100281040027277,0.7408246533914592,1.2137609894261625,1.29990509111056,1.297942476409292,1.5920279962312673,2.123774507834371,2.1575509644481126,1.5351128568225603,455.52412798643724,567.2471301948401,19.96141452223501,216.4715972389912,-269.56396985006035,-32.90331081245256,239.05253074744604,836.8111000449005,52.86472533468757,0.6778675977940587,0.8441231229626515,0.029704674855690106,0.3221324022059419,-0.401139411652704,-0.04896357160815985,306.11026674392656,381.18764663732435,13.413985228394708,145.46798797732265,-181.14583541403672,-22.110884211731726,0.2103620140031008,0.25366713897194354,1.4289699582738478,5.324200110933602,560.1223427403112,111.87338248511719,0.8335206932341902,0.1664793067658103,985.7244738200799,31.39624935912059,9.952186665594832,1121.342978965107,33.48645963617395,10.38913738522925,1779.6722401533093,42.18616171392355,12.11843884119002,2.6514496160825174,2.6514496160825174,1913.2433364693252,1797.5536630189015,135.7483027906103,1.0643595102780568,14.094049775491294,13.241813164998467,5.291738640937132,6.594546029278646,11.893204609011201,0.8034910297399435,3.931059863246313,5.740424710208331,4.964636423411621,15.826454368229276,7.070249029726947,3.3633747911479053,7.788582713168908,8.386811178890545,5.780218011142072,1.7477977986826427,4.602993015652755,4.6556391801358705,6.762905955578842,0.013700968689310002,3.6976934508638997,1.820138551890743,6.32149025216164,1.3289580508368433,8.157994971375969,0.7699235184043083,3.0009860366051075,0.003969795186649867,0.6435147384115397,2.0430504726160903E-16,1.2592966588421764E-53,1.4971072491775416E-112,3.4328409348429577E-193,1.5182047719508632E-295,0.0,0.0,0.3629216551757748,6.042560756881102,0.48603975136386646,6.198663621296171,0.35003465811862633,3.34909601684169,2.0560966432232615,0.798995590943325,3.292796093969501,0.02870944593408615,3.8646269952914127,0.5700162668732536,4.185553065294523,0.009334540070066236,0.4559306933696835,0.031813928390547266,0.2340441669752512,0.23930448699129056,0.35735687656865384,0.5934181408937876,0.02727674413682759,6.125959709993329E-5,0.004532326919798602,1.438937152923973E-18,8.86932933497593E-56,1.0544248767358655E-114,2.4177779391317093E-195,1.0692840345296125E-297,0.0,0.0,1.0767204686219625,5.4803815996284015,1.0085246426682741,5.82028042695377,0.8325653403705121,3.0462773396327147,1.985963875130734,1.45452439672834,1.2988879621871123,0.1703997401154087,3.8301041021636,1.0325666101816846,3.0413804743783257,0.006566335954359803,0.7441152542407559,0.18058535851559138,0.8919853141545331,0.46172600967381816,1.3692503647734862,0.6293163792018591,0.2360316457377738,3.769146596173039E-4,0.04723034094672445,1.499483455984419E-17,9.24252499593106E-55,1.0987920181440878E-113,2.5195110242341846E-194,1.1142764062122601E-296,0.0,0.0,3.7208300480009973,6.041574722409313,5.6767954960616915,17.69160047330196,7.198115860987259,3.535189717613906,8.344449683617794,8.755231199141162,6.773888387947587,1.568547425423426,4.649508251002606,5.171208058003374,7.994699741997994,0.015664962809735408,4.637603801181818,1.6344588460545095,5.878637781919491,1.2622502403601403,7.475125199208649,0.7590718996800483,2.6780526581723505,0.003559945068680111,0.5733600463797632,1.8203211889549986E-16,1.1220106512275078E-53,1.3338956057832574E-112,3.058599469647536E-193,1.3526931187441395E-295,0.0,0.0,1.5717243775688283,5.266760143530409,1.2014153633258253,5.858978275625715,1.2167880917241294,2.9436468423075226,2.1547505997037173,1.8832567921093466,1.1443255040024622,0.3297859247896254,3.895214389796899,1.2512533784536959,2.605157807022633,0.005866121966772727,0.7337537727394086,0.34693895316939405,1.4825876964413873,0.6144114122139516,2.236211263636409,0.6539980749120254,0.4975818017393204,7.367653615190316E-4,0.10259061176747071,3.2570784373156524E-17,2.0075999338608777E-54,2.3867230912808722E-113,5.4727146183982366E-194,2.4203572512915015E-296,0.0,0.0,4.7473701523519605,5.93127534158718,6.930776051804564,20.681160628375544,10.307480513841265,3.5250041582039704,10.588427952900645,11.90698268780946,8.340497919338677,2.4955254086289607,4.907870454559077,6.354853432019371,8.902083033127061,0.01672077746078894,5.383481696812161,2.5952450532874973,8.73711291519517,1.575947047639073,10.919480152905798,0.810154505354643,4.356627349910568,0.005680957813795789,0.9385057674459515,2.9795971052137047E-16,1.8365658262406095E-53,2.183390222431416E-112,5.006475879677994E-193,2.2141589766179315E-295,0.0,0.0,2.5207533347950326,6.355406074199863,5.01601452119366,25.08693139363668,5.907956205700934,3.7916832949476893,10.722117315575808,10.546984873353379,24.2319273497781,0.6676034253590047,4.67199541687741,7.6091464775872755,9.956152702524873,0.038513805542890814,6.77818998443949,0.698992393754579,2.9783088003507254,1.0070625316317316,3.639038360547029,0.969677407241094,1.1091088253966663,0.0015850576349997398,0.23166530582815428,7.354981701417926E-17,4.533467971831834E-54,5.389586097039149E-113,1.2358227365434648E-193,5.465537179023107E-296,0.0,0.0,14.335434934562548,0.849039245560259,0.3827478576923076,0.9208730305085665,0.054540189861608926,0.5772844490503335,0.48745511924060236,0.4615225691616375,15.567222037815116,17.983171824245332,38.208950798575174,0.8813095457628497,1.5262621374525733,10.268529911715493,0.7219712777974223,0.05758488056212485,0.9294397098814191,0.06534808592349413,0.2988540443905286,0.33671770687480185,0.010446825662692881,11.04808607007504,8.04647035977828,19.521466759535947,0.8941595648221288,0.6460185769280233,12.387058581875934,0.6686505671496077,0.18400124574579413,0.9355989075688442,0.050503413383851135,0.43192435856913275,0.30237672054305725,0.1066618060502017,13.239710394771336,10.684880493602218,25.448602135684755,0.9033983613532665,0.8409628851623917,13.804019860007234,0.8736597747807817,0.35396508433417506,0.9183306363306165,0.05812136935816303,0.5356523810762627,0.5169524363174797,0.39471920346754635,15.031644719122191,17.255402991721102,36.55587260353903,0.8774959544959249,1.4473240208612888,13.437778872194375,0.66519672774883,0.2561682920883337,0.9358342651369023,0.04632565372633212,0.5074794264122623,0.2995840412832072,0.20673697246083958,14.35914389203154,12.551501706796955,29.20047415521862,0.9037513977053535,1.0138004401563092,14.463497866860203,0.884596929754952,0.4040337263867781,0.9181932362816861,0.056157295089563644,0.5876265407241538,0.5290762917693204,0.5142835634425587,15.752128523001934,18.995513740155772,39.91699755673038,0.8772898544225292,1.630986395936033,13.87729985775104,0.8956529743388355,0.3584406477725119,0.9171197534595636,0.059191704685415465,0.5414938874273615,0.5433766001276896,0.4047640320313719,15.131393479862387,17.724471676033676,37.311011746804745,0.8756796301893455,1.489634519586423 +UMLCN0371,L,diethyl oxalate,CCOC(=O)C(=O)OCC,Esters,,C6H10O4,BioCompoundML (2016),Unknown,PubChem,,21,0,0.5232000000000003,0.27373824000000035,32.5644,20.43592999999999,0,0,20,10,10,0,6,0,4,0,0,0.0,0.0,0.0,0.0,0.0,1899.6173699999988,1706.8471769999994,2147.155538,2142.6395379999985,1627.0910239999994,1211.3404929999995,530.4804979999996,269.39925700000015,84.835296,3717.501962662711,4234.293881408104,4820.283011536793,4489.122901412425,4138.831502160642,3471.0454370322614,2290.1438364863347,1695.2180431782372,1061.4246313942745,165.83460000000002,154.00117200000005,264.7964720000001,269.5558000000001,184.34532800000005,222.9781960000001,157.20557600000006,105.59069199999999,123.32735999999997,23.752345048489985,27.538183100000005,31.73166628279199,29.405236014187984,26.888355044,22.314277663999995,16.449193072000003,15.702794719396001,12.016620718188005,3351.7477999924904,2831.668515889001,5295.855054382592,5498.276899719488,3445.611266583601,4251.4828297735,3088.2902233853997,2397.6904413159964,3137.747110568388,150.55555555555554,72.27777777777777,142.0,182.58333333333334,110.83333333333334,138.25,75.0,25.0,24.0,94.98086849999994,89.8340619473684,67.0986105625,66.95748556249995,73.95868290909088,48.45361971999998,29.471138777777753,17.959950466666676,4.713072,185.87509813313554,222.8575727056897,150.6338441105248,140.28509066913827,188.12870464366554,138.84181748129046,127.23021313812971,113.01453621188247,58.96803507745969,8.291730000000001,8.105324842105267,8.274889750000003,8.423618750000003,8.379333090909093,8.919127840000005,8.733643111111114,7.039379466666666,6.851519999999998,1.1876172524244992,1.449378057894737,0.9916145713372497,0.9189136254433745,1.2221979565454546,0.8925711065599998,0.9138440595555557,1.0468529812930667,0.6675900398993336,167.58738999962452,149.0351850467895,165.495470449456,171.821153116234,156.6186939356182,170.05931319094,171.57167907696666,159.84602942106642,174.319283920466,7.527777777777777,3.8040935672514617,4.4375,5.705729166666667,5.037878787878788,5.53,4.166666666666667,1.6666666666666667,1.3333333333333333,0.6019781554939394,-0.30616628273059404,-0.24324676256501157,0.34936853016718733,0.008631066493707653,-0.062466449044992614,-0.07737108339822027,0.013504226251436997,0.010997701722554518,831.7431617999996,15.391631189999657,242.78790451999996,501.5905601200001,-225.73963318000034,-758.6280921500006,-731.2817630200003,-115.46204644999972,298.36191078000064,883.6151700808281,-177.11656688125282,12.695301015016938,535.6808899784239,-323.43498731124936,-405.40787068766053,-282.20747115939173,-313.57871041887586,151.13957241521007,3.3161928000000005,-0.20089476000000006,0.7830219200000006,2.121629920000001,-1.0428728799999976,-3.071533399999991,-2.3630303199999947,0.5489325999999946,0.9647848799999919,3.9599435202450013,-1.628053042412244,-0.8959697527509999,2.496513952146997,-1.831001101673496,-0.5082914121837514,0.7847782094284981,-1.3284461616612488,-0.03777911512650317,23.072289009244983,-10.427989589512222,-6.197941793000988,14.732811015546988,-11.118778307723476,-1.877743794683751,6.808353298228498,-6.805903818011235,-1.0277777021265067,65.13333333333334,-3.637777777777779,16.208888888888893,41.63666666666668,-24.602222222222217,-56.70555555555554,-38.253333333333316,8.46666666666666,14.079999999999997,0.03009890777469697,-0.01611401488055758,-0.007601461330156612,0.010917766567724604,3.9232120425943874E-4,-0.0024986579617997046,-0.004298393522123348,9.002817500957998E-4,6.109834290308066E-4,41.58715808999998,0.8100858521052451,7.587122016249999,15.674705003750002,-10.260892417272743,-30.345123686000026,-40.62676461222224,-7.697469763333315,16.575661710000034,44.18075850404141,-9.321924572697517,0.3967281567192793,16.740027811825748,-14.701590332329516,-16.216314827506423,-15.67819284218843,-20.90524736125839,8.396642911956114,0.16580964000000004,-0.010573408421052635,0.02446943500000002,0.06630093500000003,-0.04740331272727261,-0.12286133599999964,-0.13127946222222192,0.036595506666666305,0.05359915999999955,0.19799717601225006,-0.08568700223222336,-0.027999054773468746,0.07801606100459366,-0.08322732280334072,-0.020331656487350056,0.043598789412694336,-0.08856307744408326,-0.0020988397292501762,1.1536144504622492,-0.5488415573427485,-0.19368568103128087,0.46040034423584336,-0.5053990139874307,-0.07510975178735003,0.3782418499015832,-0.453726921200749,-0.05709876122925037,3.256666666666667,-0.19146198830409364,0.5065277777777779,1.3011458333333337,-1.118282828282828,-2.2682222222222217,-2.125185185185184,0.564444444444444,0.782222222222222,-0.5353687582678343,-0.2525494076747488,0.3627296594763071,0.013034400025280935,-0.08301490474349482,-0.1428089535440501,0.029910778053303087,0.020299189379371353,0.01947923083255929,0.18243905966910473,0.37691214604825646,-0.24673223390419818,-0.7296753392075809,-0.9769064893614676,-0.18509246884999922,0.3985764469437455,-0.21099512295255862,0.008979659248787882,0.3788986060593429,-0.33276002563388984,-0.3670447356856276,-0.35486472783744255,-0.47317538378944074,0.19005203161435166,-0.06376835762415643,0.14757546666164895,0.39986176316407185,-0.28588996832314817,-0.7409782446907165,-0.7917480685816692,0.22070795562107426,0.3232572002448081,-0.43276880992950084,-0.1414113844317479,0.39402612994726155,-0.4203460093703127,-0.10268659834871655,0.22019904672780224,-0.4472946494883537,-0.010600351840979395,-0.4757582198479134,-0.16789463841552235,0.39909377353184383,-0.4381004535656771,-0.06510819256576911,0.327875443784553,-0.3933089785924077,-0.0494955322433514,-0.05879078453554564,0.1555356533606278,0.3995330092118732,-0.34338264942154395,-0.6964858410098941,-0.6525645399749798,0.17331968611395412,0.24019106107130667,1.6171559339160995,1.2569626562461031,0.8602160025675567,1.6364962949298942,1.4426150810214144,1.0095694933943977,0.04544987652646334,0.033445868364883155,0.7851491986862047,0.7870349549848868,0.6654811886530984,1.1447781163416535,1.7983542264212469,2.018500886913789,0.9218607685021233,0.46093038425106164,1.3908578445635165,0.937967522170244,0.4939176588293502,1.3643163958839912,1.142569691114905,1.135979023631976,1.6136062395254247,0.8068031197627124,0.7816107676248497,0.8679525885829072,0.7619160065120458,1.2624764924842289,2.203547345015645,2.169077476771287,0.045293305423416017,0.022646652711708008,1.8415397560503133,1.0988962799990705,0.4229952375158709,1.5983945890895574,0.8932214295807838,0.5657789612805291,1.609624086334437,0.8048120431672184,1.9075488614116145,1.1326269227924526,0.42446117801015326,1.6474573422435672,0.9065534593273915,0.5003272482822924,1.5006651635779757,0.750332581788988,0.6073012623677925,0.561388497952917,0.5677189952234731,1.771250116311529,2.579682702149437,2.0662743091095184,0.05348004094165813,0.04861821903787102,43.54413371568326,22.272066857841615,33.50727253958024,44.34413371568324,4.434413371568324,22.272066858872314,0.9999999999999716,1.6653345369377348E-16,1.6653345369377347E-17,-36.33133546156894,44.91357513777584,4.491357513777584,3.804740090650769,43.57178559861096,22.284423957502867,33.52599049400488,44.36943545172678,4.436943545172678,22.284423958520303,0.9970623163947749,6.661338147750939E-16,6.661338147750939E-17,-34.945041100449046,44.93008545811585,4.493008545811585,3.805107625108211,68.05376748830989,33.2288947880389,50.22224403831336,66.77698515852421,6.677698515852422,33.228894788038914,-1.5959779122320796,4.440892098500626E-16,4.4408920985006264E-17,-35.35050620855721,60.078240393042286,6.007824039304229,4.095647719294666,43.60080670642648,22.297392953651116,33.54563580630962,44.39599006712709,4.439599006712708,22.297392954654818,0.9939792008757493,1.1102230246251565E-16,1.1102230246251566E-17,-36.7368005696771,44.94741588293987,4.494741588293987,3.805493270565199,93.94040899108,44.80561596686169,68.00669395976985,90.4770673451947,9.047706734519469,44.80561596686169,-4.329177057356631,8.881784197001252E-16,8.881784197001253E-17,-34.657359027997266,76.44523047822376,7.644523047822377,4.336574542962885,46.43966756273113,23.566102153122166,35.469737164580835,46.993696957541694,4.69936969575417,23.56610215338832,0.6925367435132053,5.551115123125783E-16,5.551115123125783E-17,-35.127362657243,46.65444897204616,4.665444897204616,3.842768291921697,35.82085504014361,18.55224539011783,28.126952060193034,36.79630477559334,3.679630477559334,18.552245448823545,2.438624338624326,2.220446049250313E-16,2.2204460492503132E-17,-36.04365338911715,39.261415825096044,3.9261415825096044,3.670242250987066,0,11.890000000000006,15.99792068686459,-0.3088952869916157,0.35995556231947606,3.997468750000001,6.155961352623836,9.0,19.0,17.0,17.0,7.0,2.0,2.0,0.0,0.0,2.0,16.68007,3.6203034611206695,3.1946598494315985,2.9843023312598107,2.5336514845910614,1.9145914208770831,1.8781943136986832,0.9884346979251716,0.9689504966877341,1.678829324038828,1.642952908330243,1.2632788151849041,0.8772521643031617,0.8014439172659318,0.1555227506299185,0.08392307051869086,0.08392307051869098,3.4121165089263794,3.1321548900354097,2.9649871842894306,2.2560695146126823,1.8702155337323765,1.7768754937486329,0.6058773914796554,0.6034078299864942,1.7158885658537333,1.5974091732685354,1.3743346123606066,0.8413788433047525,0.7068585375492994,0.4429825892349736,0.2709139018929371,0.2709139018929372,3.6472242394026844,3.3582228423371143,3.17228766778834,2.6293711699702498,2.2603791575799885,2.179464151042178,1.228063842023607,1.2260703791827516,1.4627083934927958,1.324456675800949,1.1213016096589765,0.413838413677865,0.2599561213178882,0.020497399253176805,0.9439184268026217,0.9439184268026218,3.353928649999794,3.1387881357699343,2.969508078143238,2.178993516140117,1.9051817126118051,1.7685604099392567,0.4596375456450549,0.45955254778898896,1.7641853623523367,1.5727738135318292,1.3779666678445517,0.8576630082236998,0.6447090465072776,0.4987856317102339,0.39927724550898186,0.3992772455089819,3.6240201916160846,3.414524423592709,3.2272013594083124,2.6293369590910385,2.385935605181856,2.2507123334554615,1.208936373231864,1.2089363334970857,1.465039248189844,1.2593938102175486,1.0799404830800952,0.3724190105138663,0.12446852605176305,0.0197810836078867,1.2076448229620873,1.2076448229620873,4.947454484782221,4.611071407899648,3.3667727606918225,3.3516757316693884,2.577744115910536,2.492537445365695,1.6828820965086442,1.5276483957795166,1.4339381636874426,1.4054513637736574,0.8540033774538635,0.5128895502632912,0.4369269234439103,0.5806451612903222,0.5806451612903223,0.5806451612903224,0,0,2,0,0,4,0,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.47140452079103173,0.0,0.16666666666666666,0.0,0.08333333333333333,0.0,0.006944444444444444,0.0,1.1380711874576983,1.1380711874576983,1.2071067811865472,0.12696694684285614,0.1310943487475822,0.09900005660117735,7.983127663125442,4.718744015013407,3.53191803757505,2.459438392503617,1.4797191962518084,0.6523689270621825,0.16666666666666666,0.08333333333333333,0.7983127663125442,0.5243048905570452,0.353191803757505,0.24594383925036173,0.18496489953147605,0.1304737854124365,0.08333333333333333,0.08333333333333333,6.0472067242285465,3.058060412490447,1.4409403609149687,0.717530498756644,0.3800398276929223,0.13868446353109126,0.041666666666666664,0.020833333333333332,0.6047206724228547,0.3397844902767163,0.14409403609149687,0.0717530498756644,0.04750497846161529,0.027736892706218253,0.020833333333333332,0.020833333333333332,11.568335436596787,20.761835396941002,20.023529411764713,20.4,11.913730538922152,154.5020538922156,0.5784167718298393,1.0380917698470502,1.0011764705882356,1.02,0.5956865269461076,7.72510269461078,0.11259999999999992,33.265999999999984,28.172047810432346,41.62507935488786,56.34409562086469,5.634409562086469,28.172047810434464,4.996003610813204E-16,4.9960036108132046E-17,-35.232723172900826,49.80304468887982,4.980304468887982,3.9080761204926557,92,0.0,0.0,4.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,29.557870370370367,-1.8530555555555557,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2215277777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.244297052154195,0.0,0.3842214663643235,0.0,0.0,0.0,0.0,0.0,0.0,-1.8530555555555557,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.872407407407408,8.685462962962962,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.342731481481481,-0.9265277777777781,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4492361111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6221485260770976,0.0,0.19211073318216165,0.0,0.0,0.0,0.0,0.0,0.0,-0.9265277777777781,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.436203703703704,4.342731481481481,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.436203703703704,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6615277777777777,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6221485260770976,0.0,0.19211073318216187,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.436203703703704,4.342731481481481,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,31.333333333333332,3.1333333333333333,0.8129166666666666,10.436203703703704,0.34368055555555543,-0.9265277777777781,1.8480119066515497,2.593194444444445,3.4362037037037036,17.11574074074074,2.593194444444445,3.4362037037037036,17.11574074074074,4.33332,0.43333,0.0,0.06667,0.65333,1.00667,0.425,0.65333,1.00667,0.22833,0.0,-0.22833,0.0,0.43046,0.28383,0.0,0.38462,0.23077,0.0,9.0,0.9,6.0,0.6,3.0,0.3,-3.0,-0.3,0.0,0.0,6.11339,0.61134,12.18028,6.0669,0.60669,2.65136,0.26514,4.71873,2.06737,0.20674,0.19527,0.01953,0.19527,0.01953,0.0,9.04,4,4,4,4,0,0,0.6666666666666666,1.4854752972273344,2.1609640474436813,2.6464393446710157,2.6464393446710153,2.6464393446710157,2.6464393446710153,29.709505944546688,43.219280948873624,52.928786893420316,52.92878689342031,52.928786893420316,52.92878689342031,0.3437066199654228,0.5,0.6123284068056636,0.6123284068056635,0.6123284068056636,0.6123284068056635,2.8364527976600282,2.1609640474436813,1.675488750216347,1.6754887502163474,1.675488750216347,1.6754887502163474,0.33819853035292735,0.491987222106677,0.6025155037626514,0.6025155037626513,0.6025155037626514,0.6025155037626513,14.184796981298867,23.08964490789503,23.578919064858376,23.57891906485838,23.578919064858376,23.57891906485838,38.61956822427415,27.589111045234066,27.57319159064313,27.57319159064313,27.57319159064313,27.573191590643127,10.0,5.76,4.48,10,6,2,1.6800000000000002,1.1028000000000002,0.14285714285714285,1.6329931618554518,1.1547005383792517,0.0,0.19999999999999996,1.6329931618554518,0.0,1.0,0.0,0.0,0.33333333333333337,1.6329931618554518,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.7630000000000001,0.7480000000000002,0.989,0.12,3.9479999999999995,10.0,10.0,8.0,5.0,2.0,1.0,0.0,0.0,0.0,55.0,2.4849066497880004,2.70805020110221,2.8903717578961645,2.5649493574615367,2.0794415416798357,1.0986122886681098,0.6931471805599453,0.0,0.0,0.0,4.31748811353631,1.3454545454545455,0.42857142857142855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.5555555555555556,7.0,0.7777777777777778,0,4.0,7.0,0.75,2.0,1.333333333333334,0.625,0.24000000000000007,0.05555555555555555,0.04081632653061225,0.0,0.0,0.0,0.0,0.2222222222222222,0.1333333333333334,0.0625,0.03000000000000001,0.01111111111111111,0.020408163265306124,0.0,0.0,0.0,0.0,0.4795748299319729,28.172047810432346,41.62507935488786,56.34409562086469,5.634409562086469,28.172047810434464,4.996003610813204E-16,4.9960036108132046E-17,-35.232723172900826,49.80304468887982,4.980304468887982,3.9080761204926557,52.60000000000001,142.22035585664446,4.321928094887363,3.6635616461296463,4.3694478524670215,5.117993812416755,5.855071922202427,6.610696044717759,7.358193752733032,8.114623886420098,8.866017398810255,9.621986339159427,78.5775926550564,2.9444389791664403,0.0,4.07753744390572,0.0,5.407171771460119,0.0,6.827629234502852,0.0,8.291295851905407,8.560061091643414,146.0579088,7.30289544,18.4791601205059,1.84791601205059,10.557112830742987,10.557112830742987,0.0,135.0,10.0,0.8,38.0,1.2361578947368421,2.1063394133348745,2.841057549634346,3.809825140004503,4.864726898514648,5.947307445454037,7.00820769492996,7.782322052326047,9.004591943827188,0.0,120.8232100192105,152.65420232106945,205.43363220300114,311.79012090086775,255.6754612804964,190.0035185385051,139.4473053713217,39.84386808136927,9.149241708812829,0.0,292.45682038412195,334.791006288677,429.55354066439367,772.1271454088935,709.7217539782636,796.0952039224695,836.4827515001681,482.78160541440616,279.8964346867379,0.0,10.109738636842104,17.613069697746756,24.093430990678698,31.672894866506535,43.21322319121773,51.710747987207114,49.4570300263108,53.43465218085865,60.49702680929298,0.0,1.8637084058052626,2.160489201508362,2.780618034927905,4.973066687177533,4.534928778774767,5.696444336487518,7.6251452552504855,5.386304404486584,4.003557781124909,0.0,183.19381577510038,346.13781323925116,484.97268694831445,586.1945089711709,820.2319250193958,1013.5514090060606,1111.0091215892355,1347.5349270481174,1665.1079996889919,0.0,4.822116959064328,9.805410153904976,16.869303624683326,18.594191841951616,26.47902377512521,23.86277913825473,12.003461681023813,10.66181548842308,9.004591943827188,0.0,0.4721364473684211,0.6074950952609838,0.7695665890986281,1.3139663513189292,1.3610294245255263,1.5421931141331129,1.632989343748778,1.1931280749651392,0.9220702150479041,0.0,384.5944271509319,463.4966762977719,20.405305279009372,186.4280721813216,-224.675101157233,-31.702909914515658,198.1663549696103,688.1717774550049,52.10821519352503,0.6735188676464969,0.8116959959367259,0.035734678235745665,0.3264811323535031,-0.39346103072990163,-0.05551954599265115,219.6120710209814,264.66703053174615,11.651888420057558,106.45462372267201,-128.29453780053007,-18.10307485549201,0.29781520586214394,0.2554814685379469,2.360203425331902,5.493245733898557,447.6489733269744,123.37352600527912,0.7839427935859786,0.21605720641402146,869.085179454644,29.480250668110745,9.543055464847885,965.9555402725204,31.079825293468435,9.885205737733298,1583.1362922660066,39.788645268041066,11.654834252173213,2.291199764484403,2.291199764484403,977.1283830109242,882.4730035774428,108.05554260265211,1.1072615015414176,9.042834448613851,8.166846256304703,4.4164573779693725,5.41407419136312,9.595753976031983,0.7723720874271999,2.815457682633012,3.293536411956951,4.3530218505463525,7.964072369989613,5.4326140909180145,2.9793905539353056,3.8404387612220425,10.45233139161872,0.6882710975131964,3.400757713875647,6.582766195177036,3.2468523216498255,5.698622891481576,2.809042102176618,0.45842213129257847,0.04642861313758388,1.1687552248602837,1.8517997871952556,1.5996071572073015E-7,6.172619747115588E-36,4.59411251203207E-86,6.594921570415346E-158,1.825969621621231E-251,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.26929692504943087,3.5957566693363936,0.4585430237746745,4.139492977101317,0.2032258779156478,3.1191838434883308,4.699625748774766,1.673732338880515,0.9143966362067475,0.32696321169206394,1.9101189298071732,0.3438291933788334,2.257729599855785,0.07109164911246069,0.02712813789484773,0.005858633697361488,0.09799878835308416,0.013042377314153971,1.126616400054647E-9,4.347426558494925E-38,3.2356710061161733E-88,4.644857185607847E-160,1.2860453346005238E-253,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7744883530651269,3.033571727466689,0.8602342839603319,3.2242650151903027,0.5880447179009548,2.60697566044784,2.5972102589135724,2.344374547568702,0.4921773088906565,0.8063185562900727,1.9806826494462435,0.6073640456805085,2.960056149761483,0.3379862661516447,0.09406289431837686,0.00857022038632834,0.3164091895672008,0.13591162733924939,1.1740211514379626E-8,4.530353662301224E-37,3.371818659918923E-87,4.840299307774777E-159,1.3401583932702304E-252,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6677925945968024,3.594695614040924,5.111681480268541,9.013581315986292,5.415062451620625,3.3044405151266214,4.981442478621576,12.801719216922562,0.9148181334866246,3.6747948854367687,6.672768734838728,4.010361270919746,5.4879621527312334,2.5381340830259207,0.4245535953386986,0.04197460418065708,1.1031498683597176,1.649920271434871,1.4252211784763268E-7,5.499693065658264E-36,4.0932715379208836E-86,5.87595638728954E-158,1.6269060589428976E-251,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1262898317106598,2.819942914153541,0.9730646755298535,3.096065950070674,0.9169706317528842,2.5122048671546926,1.8173472968961593,2.372393100214169,0.33168648508387233,1.0488755139340071,2.2954676884038956,0.6178167131809382,3.442191144262779,0.6078957938992484,0.14627699098709385,0.012085372449991838,0.4663867537967331,0.29521821599327436,2.550130821410554E-8,9.840533530400378E-37,7.324040694100595E-87,1.0513776889360307E-158,2.911003111029599E-252,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.4001189475701725,3.484348436391232,6.176511870084229,9.983206161358675,7.9262674758895795,3.2269404573598877,4.643994428448063,14.863646865561023,0.8320814722356855,4.483412663399247,8.41911020479448,4.740340686277523,6.478618104710845,3.92937361167109,0.5922980527540606,0.06515698104215013,1.4117241145215325,2.700675954567645,2.3328767051902453E-7,9.002185788655541E-36,6.700081336878965E-86,9.618073309348658E-158,2.6630050856375176E-251,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7965612437604732,4.015038283029355,4.459924287867786,14.22045776392785,3.1589105122465755,4.990287856834015,14.796534085495088,22.29479648166971,3.234163468400484,4.5884029996753055,5.420636309779327,3.675041926068376,4.496933576657322,1.0595665454305299,0.25733685428068864,0.02128927097410627,0.7877084673412842,0.6243320822593785,5.3930563885032835E-8,2.0810913611503123E-36,1.5488995357943708E-86,2.2234699155198455E-158,6.156234728462837E-252,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.36678990429888,0.7663981881903839,0.33240301499999997,0.9041653245010061,0.06684332111667375,0.6385203763885492,0.4416100230374172,0.3999845690918912,11.465591107489264,11.645794288510555,25.752356934044823,0.856247986751509,1.4801149685178574,5.996838897315667,0.6937660292913956,0.04585433881019827,0.8902063622801731,0.10298674748216165,0.21429709978613604,0.3585332334777333,0.007611569192120935,6.7364592654172615,4.467196375240704,11.394428174455076,0.8353095434202596,0.5804419024559903,8.345154214345412,0.6131688770563759,0.15568808198583584,0.9156401123045329,0.06727760866113407,0.41411096835817257,0.2821753375168084,0.08774534081257852,9.114011173387624,6.511692978382227,16.422358329574557,0.8734601684567993,0.7840316466875595,9.694747384363524,0.7931553843213393,0.30224816350242056,0.8984811653972193,0.07350734844267445,0.5585539181171695,0.47277903681861283,0.3307049305119431,10.790150932187284,10.8593904383701,23.97366081762736,0.8477217480958291,1.3620378854477255,9.573196161602244,0.596999106793827,0.2228033608691778,0.9211197367663887,0.05744243101435229,0.5446431478147044,0.2678411685852783,0.1797036109083932,10.392998629265248,7.9811432441330865,19.647505314844654,0.881679605149583,0.9921879273083758,10.464699291824513,0.7993851484543932,0.35037523889325617,0.901006123478178,0.06882671863658926,0.6506204744940698,0.48046442746603985,0.44440623376085997,11.614459679172162,12.311981473602254,26.85744396706704,0.8515091852172669,1.5754911357209695,9.806770668178176,0.8141000934556244,0.30729625698269064,0.8973847719816161,0.07449557570531071,0.5716830104621566,0.4978118360679483,0.34184392726350993,10.92816701861649,11.247446748408695,24.62897271746039,0.8460771579724242,1.4113387737936147 +UMLCN0372,L,diethyl sebacate,CCOC(=O)CCCCCCCCC(=O)OCC,Esters,,C14H26O4,BioCompoundML (2016),Unknown,PubChem,,47,0,-1.1351999999999987,1.288679039999997,59.132400000000004,45.184617999999965,0,0,44,18,26,0,14,0,4,0,0,0.0,0.0,0.0,0.0,0.0,3069.987361999998,3054.673553000002,3696.823834000003,3393.7365289999993,3273.6039280000014,2781.3300690000005,2500.0041559999995,2303.247426999999,2106.490697999997,7602.977087552226,9458.21495733104,12128.659904835484,12538.175261547916,12141.710885875877,11401.09721894956,10275.222023412798,9268.42367845767,8261.62533350252,333.65415199999995,328.2074120000001,606.632536000001,772.2481160000018,680.9756320000012,699.1835400000015,660.0932000000009,597.2083000000003,534.3233999999999,53.177351526074034,67.66609206,93.2331874415839,99.61862591795982,95.32764932837588,92.70805691977186,85.81327500256384,76.7917461431679,67.77021728377203,7324.785081100475,6295.9841280154005,12689.472646109383,17204.00536900886,14666.89531341598,15343.453461985278,14972.404471060767,13493.449316022172,12014.494160983573,184.55555555555554,114.25,213.66666666666663,232.24999999999997,236.6666666666666,225.41666666666666,183.16666666666669,170.91666666666669,158.66666666666669,69.7724400454545,71.03891983720935,46.210297925000035,32.948898339805815,36.373376977777795,29.906774935483877,27.77782395555555,28.43515341975307,29.256815249999956,172.79493380800514,219.95848737979162,151.60824881044354,121.7298569082322,134.9078987319542,122.5924432145114,114.16913359347554,114.42498368466259,114.74479629864611,7.583048909090908,7.632730511627909,7.582906700000012,7.497554524271862,7.566395911111124,7.518102580645177,7.334368888888899,7.372941975308646,7.421158333333332,1.2085761710471372,1.5736300479069767,1.1654148430197986,0.9671711254170856,1.0591961036486208,0.9968608270943211,0.9534808333618204,0.9480462486810852,0.941253017830167,166.47238820682898,146.41823553524188,158.6184080763673,167.02917833989184,162.96550348239978,164.98337055898148,166.36004967845295,166.58579402496508,166.86797445810518,4.194444444444444,2.6569767441860463,2.670833333333333,2.2548543689320386,2.629629629629629,2.4238351254480284,2.035185185185185,2.1100823045267494,2.203703703703704,0.5348157747505969,-0.32006752946178024,0.11981360799364338,-0.05170449643119587,0.007550135771735715,-0.030638874266287253,0.006692358461374859,0.013538861308367678,0.04812102623742668,1552.9679037272713,11.276365221073664,-117.57474559504163,88.7774885020658,-408.05895871487706,-573.9836930144638,-7.445107805785376,-20.321135179752392,-33.197162553719124,2103.5004391446437,-198.69422566589597,-681.5905474979052,464.6406421878836,-402.7990926576342,-471.4534070839709,20.91971926717587,17.646015166955173,14.372311066734476,3.9113269090909135,0.01528197520661264,1.4806925289256188,-1.0121630826446295,-1.091781768595041,-1.2893873305785128,-0.31475413223140936,-0.39463744628099495,-0.47452076033058055,9.327986379575727,-1.6172928222385774,-3.535653205004851,2.353169320232679,-1.3223874782241651,-0.940201123674651,-0.012026861881263756,-0.012102999404455667,-0.012179136927648021,52.3022582563211,-10.072923605054191,-19.33659670825615,12.768142449105959,-6.829745359162787,-3.6112933262912073,-0.406147556587799,-0.41860805238577314,-0.4310685481837473,75.30303030303021,0.4134527089072554,22.570247933884314,-11.51492194674011,-17.316804407713477,-27.42079889807168,-6.210743801652875,-7.716942148760317,-9.223140495867753,0.012154903971604476,-0.00744343091771582,0.0014976700999205423,-5.019854022446201E-4,8.389039746373017E-5,-3.2945026092781994E-4,7.435953845972066E-5,1.671464359057738E-4,6.683475866309261E-4,35.29472508471071,0.2622410516528759,-1.4696843199380205,0.8619173640977261,-4.533988430165301,-6.171867666822192,-0.08272342006428196,-0.25087821209570854,-0.4610717021349878,47.80682816237827,-4.620795945718511,-8.519881843723814,4.51107419599887,-4.475545473973714,-5.0693914740211925,0.232441325190843,0.21785203909821202,0.19961543148242328,0.08889379338842986,3.553947722468056E-4,0.018508656611570234,-0.00982682604509349,-0.0121309085399449,-0.013864379898693687,-0.0034972681359045485,-0.004872067238036975,-0.006590566115702507,0.21199969044490288,-0.0376114609822925,-0.04419566506256063,0.022846304079928922,-0.014693194202490724,-0.010109689501877968,-1.336317986807084E-4,-1.4941974573402057E-4,-1.6915467955066696E-4,1.1886876876436614,-0.23425403732684166,-0.24170745885320186,0.12396254804957242,-0.07588605954625319,-0.038831111035389325,-0.004512750628753322,-0.00516800064673794,-0.005987063169218713,1.7114325068870502,0.009615179276912916,0.2821280991735539,-0.11179535870621465,-0.19240893786348306,-0.2948472999792654,-0.06900826446280972,-0.09527089072543601,-0.1280991735537188,-0.6123808904706032,0.12321529675753139,-0.0412990019022221,0.006901773774577706,-0.027104307997616515,0.0061176574190495246,0.013751357994785548,0.0549858384889159,0.007430035253808391,-0.04164033907079989,0.024420571686818417,-0.12846079461685267,-0.17486657431129213,-0.0023437898968114313,-0.007108093673872706,-0.013063473395199188,-0.09665556413874077,-0.17821474821097966,0.09436045789686742,-0.09361728535455859,-0.10603906740691418,0.004862094686586286,0.004556923089694776,0.004175458593580389,0.003997970597270773,0.20821089871477197,-0.11054569358013829,-0.13646519152285183,-0.1559656683578792,-0.03934209580440452,-0.05480773237731024,-0.07413977809344241,-0.17741281085534147,-0.20847042262095544,0.10776574263850873,-0.06930762102367019,-0.047687284262829616,-6.303395934223701E-4,-7.048111505278524E-4,-7.979005969097346E-4,-0.19706945715169644,-0.20333975136256283,0.10428521245585011,-0.06384019985660179,-0.032667210604632686,-0.0037964140418573354,-0.004347652205418633,-0.005036699909870256,0.005618205356168037,0.16484909456740474,-0.06532268041908405,-0.11242566510172143,-0.17228099781484665,-0.04032193158953716,-0.055667337357478176,-0.0748490945674044,1.6148966974009702,0.9119895270599022,1.1469589462530898,1.1017224752923198,0.9313165557825975,0.7383620981559356,0.7997652701080666,0.8479471044511753,1.0441751855322168,1.0520261506637156,0.9564448707199241,1.1371983244722133,1.162688315285696,0.919533799239353,0.9389341788516516,0.9631846533670251,1.4404572216909683,1.2770997911814441,0.8513278897674599,1.1087464019997773,1.0837506553837033,0.9607459314352145,0.9538638570979153,0.9452612641762916,0.7111908732391109,0.7183175723486164,1.1471624250346266,1.1837857634322044,1.1814622680987754,0.8017440246401275,0.8843889936931377,0.9876952050094004,1.6449196084412483,1.350190899251571,0.8275692827562388,1.1008173323096473,1.0288678424255329,0.9572566587054645,0.9490654649723794,0.9388264728060234,1.6776870265775206,1.3512237522294879,0.8313255027639624,1.1012220326891233,1.0165592633541858,0.9505542425738314,0.9451938315190868,0.938493317700656,0.5522132796780691,0.4885446009389676,0.9572542048406959,1.4069450033534558,1.434728802925079,0.7941493404873696,0.8788633032764499,0.9847557567628001,189.54890573594923,95.2744528679746,154.05865937842063,190.4377946248381,10.579877479157672,95.2744528679746,0.9999999999999574,2.220446049250313E-16,1.2335811384723961E-17,-64.87857610041088,128.20429476341835,7.122460820189908,8.736525079956223,189.58300581207965,95.2900340642372,154.07811680028013,190.4692834266528,10.581626857036266,95.2900340642372,0.9970623163947465,9.43689570931383E-16,5.2427198385076835E-17,-62.27412193112549,128.21176045355068,7.122875580752815,8.73662989587526,219.96920282555487,109.1866124566613,171.54080639158295,218.55055579245953,12.14169754402553,109.1866124566613,-1.5959779122322857,2.220446049250313E-16,1.2335811384723961E-17,-64.87857610041088,135.33126787525563,7.518403770847535,8.833906095860984,189.61879496910035,95.30638708498805,154.09853834573667,190.50233203654545,10.58346289091919,95.30638708498805,0.9939792008757422,1.27675647831893E-15,7.093091546216277E-17,-61.73001636175422,128.21959719838264,7.123310955465702,8.736739914718752,252.44704527206179,124.05893410735257,190.47353263317783,248.5988878877448,13.811049327096931,124.05893410735257,-4.329177057356645,1.609823385706477E-15,8.943463253924872E-17,-61.31277345645103,143.9677267989203,7.998207044384461,8.945260479009974,193.12249840559332,96.90751757455314,156.09945238386734,193.73808662204925,10.763227034558291,96.90751757455314,0.6925367435129459,6.106226635438361E-16,3.39234813079909E-17,-63.057694459389616,128.99303809116276,7.166279893953487,8.747565182315588,191.24923113449245,96.04043320773368,159.40524002160817,192.6801410670124,10.70445228150069,96.04043320773368,2.488208616780142,5.551115123125783E-17,3.0839528461809902E-18,-67.37390595042669,123.06991800972892,6.837217667207162,8.662954739356074,0,11.890000000000006,15.997928729401483,-0.31689266353234896,0.26256179004582775,4.191551391601562,7.570104893094409,17.0,43.0,41.0,41.0,15.0,2.0,2.0,0.0,0.0,2.0,34.17138199999999,3.589318359435293,3.5393768361152125,3.3600917152307606,3.14260065385611,3.007453124102239,2.8611068605147727,2.5579423284628744,2.175592251360056,1.9204962940880177,1.778182119963316,1.6665955686243985,1.6385904193272267,1.512069970764207,1.258447144267321,1.0149534547885957,0.8889281400012445,3.5621122796739035,3.446632212709947,3.2741539345165167,3.1282665976595627,3.0157695838463927,2.811005067671115,2.4928262669818775,2.150100744885835,1.873972119853295,1.7648485857193732,1.6536677907012374,1.5817893017362774,1.4588312709863047,1.2435997770593092,1.011233271910068,0.8340994936996219,3.7008752604697275,3.6238034906915058,3.480209288250412,3.328653957447623,3.205851888884377,3.0293617972976294,2.7581946159899426,2.4668948626538882,1.695199402623023,1.5594382313343373,1.4014847115045188,1.3210017675951915,1.2139089901592939,0.9703567846573923,0.6788014471556106,0.4283395372460771,3.57356244959436,3.438594473872719,3.257564927010286,3.1396264274757226,3.037430228703083,2.807093148752301,2.4825237971329623,2.1580771866719823,1.8499195406893274,1.766991788755727,1.6516816840488886,1.5442034024134212,1.4224505709686517,1.2352324937511068,1.0036830058002089,0.7928259455121016,3.7437459496858563,3.6445579474061263,3.509619044522952,3.3965749292537124,3.277727660097064,3.0769180736997233,2.8145226870251103,2.564377949689467,1.6470638096607617,1.5247322176664646,1.3647335389622162,1.2537410798633482,1.1434522470375748,0.9219135065980526,0.6247236399272856,0.3371469022884176,5.0733008890972044,5.073283801619262,3.531666882132439,3.474787967258067,3.4588060786486694,3.269228422774349,2.9390883343173515,2.693067385148616,1.7974786705242856,1.6118334823022336,1.37887746855414,1.3403505636805682,1.282055229001321,0.979255550370088,0.6591808937087992,0.46923750331627295,0,0,2,0,0,4,8,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5773502691896258,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.8164965809277261,0.9855985596534889,0.696923425058676,0.16666666666666666,0.20118446353109126,0.1422588984322123,13.639981912617825,8.701907262607799,6.486364312983974,4.206795678960467,2.966979035088339,1.5647227048854206,1.0180376876527195,0.6573613524427102,0.7577767729232125,0.5118768978004588,0.3603535729435541,0.24745856935061572,0.1854361896930212,0.1203632849911862,0.08483647397105996,0.059760122949337295,11.70406097372093,7.015167193676994,4.231362683200374,2.622452091081639,1.7120947585084567,1.0023004804419406,0.6203451188587124,0.3761502402209703,0.6502256096511627,0.4126568937457056,0.23507570462224303,0.15426188771068466,0.10700592240677854,0.07710003695707236,0.051695426571559365,0.034195476383724575,23.90295786688374,43.86453022578299,41.82745098039213,42.48000000000001,26.302166467065906,338.7280946107785,0.5432490424291759,0.996921141495068,0.950623885918003,0.9654545454545457,0.5977765106151343,7.698365786608602,3.2334000000000023,70.20200000000004,102.56731860199586,162.83367022442349,205.13463720399176,11.396368733555096,102.56731860199586,7.771561172376096E-16,4.3175339846533866E-17,-62.623602757119215,131.0672258710859,7.2815125483936605,8.776278659088982,388,0.0,0.0,4.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,31.774223861502207,-0.1947943112103252,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.14013363832274,1.0761728395061727,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.6417615476508667,0.0,8.112142235390586,0.0,0.0,0.0,0.0,0.0,0.0,-0.1947943112103252,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,22.08226403391967,9.691959827582538,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.845979913791269,-0.09739715560516271,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3253628117913832,0.5380864197530864,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8208807738254333,0.0,0.46497315362699965,0.0,0.0,0.0,0.0,0.0,0.0,-0.09739715560516271,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.041132016959835,4.845979913791269,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.041132016959835,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5709524983563445,0.5380864197530865,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8208807738254333,0.0,1.1133238063744018,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.041132016959835,4.845979913791269,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,43.33333333333333,2.407407407407407,0.5709524983563445,11.041132016959835,0.16391749892415897,-0.09739715560516271,5.510759543924092,1.7640638222718295,4.041132016959835,21.54844772300442,1.7640638222718295,4.041132016959835,21.54844772300442,8.33332,0.46296,0.0,0.03704,0.53333,0.87037,0.42857,0.53333,0.87037,0.10476,0.0,-0.10476,0.0,0.53191,0.18238,0.0,0.2,0.12,0.0,13.0,0.72222,10.0,0.55556,3.0,0.16667,-7.0,-0.38889,0.0,0.0,18.16584,1.00921,25.51671,7.35087,0.40838,6.54303,0.3635,8.70189,2.15886,0.11994,0.21211,0.01178,0.21211,0.01178,0.0,17.04,4,4,4,4,0,0,0.8571428571428571,1.288649764535596,2.056676898728312,3.265583322887733,3.606936732175321,3.788754913993503,3.6978458230844127,56.70058963956623,90.49378354404574,143.68566620706025,158.70521621571413,166.70521621571413,162.70521621571416,0.2360410120600155,0.37671996691144005,0.5981544510494006,0.660679899325423,0.6939833994915383,0.6773316494084808,4.170781854101701,3.402754719908985,2.1938482957495644,1.8524948864619764,1.6706767046437943,1.7615857955528846,0.23464753006536698,0.37449597843446214,0.5946232110742717,0.6567795366897041,0.6898864276842385,0.6733329821869715,11.790235124255796,21.369734790932025,23.964564830224468,25.307877974317588,25.491118889226673,24.400209798317583,65.88018107042564,41.98802075425655,37.19879786908504,33.21648556945935,32.15508075590495,34.83809706714564,18.0,13.432098765432098,13.28719723183391,18,3,10,2.56,2.2300000000000018,0.06666666666666665,3.19239590705265,0.6666666666666667,0.0,12.695873846425902,5.084352763627957,0.0,0.1111111111111111,0.0,0.0,0.09090909090909091,0.8528028654224417,0.09090909090909091,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.7630000000000001,0.7480000000000002,0.989,0.12,7.9399999999999995,18.0,17.0,16.0,13.0,12.0,11.0,10.0,9.0,8.0,149.0,2.995732273553991,3.1354942159291497,3.091042453358316,3.044522437723423,2.772588722239781,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,5.170483995038151,1.174496644295302,0.4666666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,0.7647058823529411,15.0,0.8823529411764706,1,8.0,15.0,0.875,2.5,1.1111111111111116,0.625,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407406,0.04000000000000001,0.06611570247933884,0.14705882352941177,0.06172839506172842,0.03676470588235294,0.015000000000000006,0.012820512820512824,0.01020408163265306,0.008522727272727272,0.007407407407407406,0.004444444444444445,0.008264462809917356,0.3298263147287775,102.56731860199586,162.83367022442349,205.13463720399176,11.396368733555096,102.56731860199586,7.771561172376096E-16,4.3175339846533866E-17,-62.623602757119215,131.0672258710859,7.2815125483936605,8.776278659088982,52.60000000000001,280.5882328635782,5.169925001442312,4.2626798770413155,4.948759890378168,5.673323267171493,6.371611847231857,7.10085190894405,7.803435056952168,8.533656917446903,9.238052810542719,9.968197933904884,98.90056950961355,3.5553480614894135,0.0,4.672828834461906,0.0,5.932245187448011,0.0,7.257707677160043,0.0,8.617038526385954,8.919586920999915,258.18310931200006,5.867797938909092,34.47473614852129,1.9152631193622938,10.632661308844925,10.632661308844925,0.0,891.0,17.0,3.77,70.0,1.2455581395348834,2.141317963016575,2.8687888719069776,3.6889664458385427,4.912086958838475,5.877108746914676,7.18317464198354,8.284091342504361,9.56568459188353,10.696833486529497,99.54649287006976,108.172410746742,108.14124983400593,161.53370566052038,169.21162519808027,191.65176769237206,230.16659153043517,272.21306589711315,318.1206910995037,370.74638652213656,297.533035690193,344.7421157231275,382.1249658581355,568.7713104440601,657.4230650393807,746.5568640085227,886.6919676901913,1025.8564073184452,1168.3952936038684,1310.9734261898348,9.565411929767446,16.335066553695015,21.572489012613044,27.983330739085698,37.0417612554055,43.37302213492926,53.206108920021386,61.771827458963244,71.8754679295814,81.27477503240435,2.080082008901859,2.6038781664997535,2.9584487052924735,4.344943506808764,5.218256481691806,6.056342347358338,7.182294981591984,8.236386467573233,9.293879742230827,10.258541465988984,180.52313517409277,336.62221058803595,475.38534828250306,587.3030393464996,801.6202650308901,963.3419332186229,1185.7113744878018,1368.4535426607592,1588.4578009572972,1781.0391647701986,3.3938120155038747,5.955755212057075,6.578303135416254,9.727740750271892,12.029662183259227,12.33525714875688,15.520215461614903,18.669068997741793,22.671507004068946,27.5657623868625,0.46844215116279053,0.6102948147534099,0.69700925393239,1.0122709477849825,1.219616133456566,1.3971706273776154,1.6751140220119902,1.942618731059056,2.2271523201094583,2.507084931494477,664.0179861121026,1025.9193055952514,25.94990000929095,199.30907657243011,-307.93598021830974,-33.337945071207564,464.70890953967245,1333.8552858135613,59.28784508049851,0.7691383889291338,1.1883321512071396,0.030058017558952953,0.23086161107086653,-0.35668519328095283,-0.0386156608684808,573.2646975198601,885.7039006509036,22.403250951978475,172.06891964364263,-265.8494652967556,-28.78155019426391,0.16921521561970632,0.20445897559616905,1.1494635129317008,4.291373746565157,746.6335934958748,116.69346918865774,0.8648328377129787,0.13516716228702147,1358.2138886969794,36.85395350158487,11.074464169927726,1610.0768268234583,40.1257626322972,11.720573602233141,2471.5001119564686,49.714184212923264,13.520317120734088,4.440011744168632,4.440011744168632,8375.042214132945,8245.957966958145,169.1182750280359,1.015654245109185,49.52180485961412,48.758526927921636,7.431202489372345,10.263455125225432,19.29446018637138,0.879918599629244,7.277866504479013,11.431528556468129,6.742631462016816,45.96921101242104,18.55790650976935,3.363091513057641,12.431093819049748,9.61818952110864,30.92528421658504,1.9110021140366091,5.962686044726904,22.00386743799083,3.210177907195971,21.595759687919603,4.012491259894353,13.50226469721499,12.558676650335432,1.3115139394417266,8.010989191035895,2.0535509747567886,16.378680376077224,7.915429354333356,1.8194985695365373,0.21184179919601343,1.144155949530546,10.849863489117658,8.569891235895438,7.831460579588441,0.29586890056495524,0.9099260004139333,0.6437959449476303,11.73341197102085,0.618741344010205,12.303268582647048,0.43159594698470477,3.3488117261720514,2.695891586792149,0.8812099261606959,7.819352154518966,0.029877748241165306,5.4358720997766605,2.6967386183592823,0.5573803209492096,5.280611064822943,0.032670322004821784,5.745590046341371,2.0229195171243686,0.6499742802891516,2.7203588651392594,0.02598877754515726,5.8538193048455955,1.521027540167912,1.0096382414972065,0.2366643689234854,0.0481063722121097,3.1855289131860407,0.42295001342753513,5.224993684886067,0.02974249426378116,0.4580482181583559,1.9834169146852858,11.17125016761917,1.447782583294064,13.559550847587495,1.677970435609867,3.0459931201444785,3.5043123245819214,1.6116930157495848,9.959139246977653,0.18238897050658429,4.801865525899303,5.29445454504477,0.7755955056022938,7.139220819602193,0.3058237099300096,5.902957808142711,2.7409044534849194,0.7235049259521239,3.051026166349267,0.18032973173922331,6.693532306372573,1.7404667850143503,1.063050551635295,0.07618073790381534,0.18629652837061592,4.083826550466635,1.4844769771613944,4.008810745092243,0.06674748141305044,0.41026069226648354,6.879942507606382,11.732650999020114,7.3437074507652005,45.26826407485632,17.432682723171403,3.5349063836239805,12.606596136606564,10.024796895353344,30.59916371028711,1.713966106173764,6.313487436026655,20.863575578190236,3.2035821117965373,21.39524490591419,3.578093935635791,13.459584779864901,12.47824897020628,1.2514144400253604,8.6102115908551,1.8376127703214356,16.479734135183236,7.7514170764728965,1.7890949295008338,0.30593660526777705,1.0469503451781934,11.052252733873466,8.034985574774703,9.641200298265266,0.33355616655475084,1.0819824460703025,2.9080281145361497,10.957650783166642,1.8598093910852898,15.675945986550909,3.05139843192826,2.943362698219845,4.291523714208039,2.10052297500044,11.85084754518315,0.35581045782987664,4.619125099196891,7.501889840682314,0.9531683717018231,8.66546939651705,0.6534384225615308,6.458420088911965,3.5499558908676017,0.7922628381947828,3.344583101470083,0.36333910859217705,7.649029883282061,2.319896152479905,1.1433504346072438,0.046402529806782215,0.30659316139115395,4.825496927496848,2.3469826453004825,3.4191899950666214,0.08206124827944247,0.3814612838496568,8.789123866090119,11.622495008680676,9.131824069596941,61.88895175896176,27.05763705767571,3.5247213554670584,16.0243239267509,13.698744903311946,40.24643963341696,2.7335385925660223,6.517560781215374,28.014250488737844,4.432875875070401,27.39799981076136,5.83745810465559,16.607601000250927,16.8455751479528,1.5643915587735573,10.056825005972335,2.957318962351549,19.80031731819784,10.500799669267618,2.1253522425739932,0.3061811049350764,1.5388193264971932,13.1791642375796,11.491381281812519,10.129929802979065,0.4012626885583229,1.1854199995101633,4.724290869504982,11.969018176954158,6.4810869744314905,42.598082213248645,10.956313230458115,4.138490466584858,14.131581078669642,13.125631085204896,27.706123860521895,0.7929220508520495,6.982309441239949,15.631661504782164,3.4697255580174966,20.755482141014955,1.5880215851144903,11.689076582856678,13.527711079014749,1.055845184142045,12.843764121975507,0.8364194970280194,14.488001915396637,12.50524537139919,1.9101710338057967,1.3080847562045625,0.5519419374301866,13.917211359484792,5.363732962673632,15.892194336630407,0.5583696573111032,1.4872355920240572,32.9640854124381,0.847645785510766,0.45139991590909095,0.962086194133774,0.02473929725494147,0.5269592950673103,0.5754271056205409,0.5454427577557167,34.26313111385796,43.20448069256498,90.08056870494968,0.943129291200661,1.6478291584435678,31.859803813826822,0.5773448681467261,0.07749126820303621,0.9798602679484322,0.017756458906862067,0.493567802474578,0.2510046332910626,0.01607428888043542,32.51463995017658,20.907690020330982,54.84771165999716,0.9697904019226482,0.760646724646076,31.742753774093224,0.6141578380012067,0.22510948567206854,0.9742413976973697,0.018849593036550677,0.488922263739553,0.3017716621152229,0.1356481338460364,32.5820210977665,26.7789087610369,63.74945302043519,0.9613620965460545,0.9263420597008123,33.058870948437914,0.8563536168681178,0.42740060446982997,0.9626192169354674,0.02493558988675608,0.5301030566459228,0.5885358189816136,0.48898607988033277,34.342625169775864,42.805471186212976,89.24784324464062,0.943928825403201,1.6076249555078692,31.851578027918457,0.6492804066871525,0.301506853893775,0.9710146737218892,0.019793706977429222,0.4920408971780172,0.33814332223405774,0.24334398179662836,32.80236528849939,30.479837111059364,69.51754671121404,0.9565220105828339,1.0735282012087033,33.17616540134475,0.8849096766746376,0.47745851746611023,0.9605551234427966,0.025620939413313813,0.5337591728947453,0.6270671963650005,0.6102355753228723,34.5385335954855,45.62066020866129,94.17637789249409,0.9408326851641948,1.7710619445826181,33.0584926062246,0.8715743201613133,0.43100372470273507,0.9620914593118832,0.02536516772167865,0.5301401432900568,0.609552118629079,0.49726544214492724,34.361070651088646,43.43691844351342,90.2164706315281,0.943137188967825,1.636957704064063 +UMLCN0373,L,dihexyl azelate,CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCC,Esters,,C21H40O4,BioCompoundML (2016),Unknown,PubChem,,99,0,-3.730800000000001,13.918868640000007,80.7544,66.83971999999994,0,0,65,25,40,0,21,0,4,0,0,0.0,0.0,0.0,0.0,0.0,4094.061104999998,4234.021632000004,5052.78359300001,4858.793560000028,4718.416287000024,4521.659558000023,4324.9028290000215,4040.3861720000023,3863.874115000004,11002.76782183059,14029.145898763618,18523.489686471807,19409.634848376798,18482.221070476106,17475.422725521013,16468.624380565947,15637.954863467736,15162.105920741273,480.4962599999995,480.6378720000005,905.7390920000007,1212.7220800000025,1133.974140000002,1071.0892400000023,1008.2043400000023,945.0397760000023,869.6303320000018,78.92423219395982,102.77801239999991,147.0470184555271,161.02776058173248,150.58840042754431,141.56687156814806,132.54534270875183,125.26538120135571,122.39223590656371,10801.19270206996,9327.260288626,19158.88803887028,27545.665940962408,25328.106676514446,23849.151521475862,22370.196366437285,20902.26672471521,19103.76077853173,214.30555555555554,151.0,276.41666666666663,321.8333333333333,329.5833333333333,317.3333333333333,307.0833333333333,289.0,273.4444444444444,62.98555546153843,66.15658800000006,41.416258959016474,29.269840722891736,30.839322137255056,31.400413597222382,32.03631725185201,32.06655692063494,33.02456508547012,169.273351105086,219.20540466818153,151.83188267599843,116.92551113479999,120.79883052598761,121.3571022605626,121.98981022641442,124.11075288466456,129.59064889522455,7.392250153846146,7.509966750000008,7.4240909180327925,7.305554698795196,7.411595686274524,7.438119722222238,7.468180296296313,7.500315682539701,7.432737880341896,1.2142189568301511,1.6059064437499986,1.205303429963337,0.9700467504923643,0.9842379112911394,0.983103274778806,0.9818173533981617,0.9941696920742517,1.0460874863808864,166.17219541646094,145.73844200978124,157.04006589237932,165.93774663230366,165.54318089225129,165.6191077880268,165.7051582699058,165.891005751708,163.28000665411736,3.297008547008547,2.359375,2.265710382513661,1.9387550200803212,2.1541394335511983,2.2037037037037037,2.274691358024691,2.2936507936507935,2.3371320037986703,0.5661373212401288,-0.32130481136220507,0.08543002275832587,-0.018676247347115354,-0.0350997068476971,0.005621519594093778,0.033395695419993675,0.015009353910135002,0.05347322672020247,2138.280132553844,9.464417916217073,-415.79555613183123,217.01340110863873,-137.5520769344369,-143.45219267313513,-149.35230841183346,-243.01235215053134,-338.8353335507674,3159.2658088500752,-204.68258365755457,-1233.6129272809628,288.9757760766148,-27.251143839174574,-28.751236416222582,-30.251328993270363,144.3774062865951,-372.30121891886233,4.148176246153849,0.06911581917158298,1.5952757841419969,-0.3656953978698208,-0.9442765178698429,-0.9808810376331603,-1.0174855573964776,-1.333754077159795,-0.8141582276923263,14.024753300446163,-1.6144000026694179,-5.872132819957747,0.6170031456042928,-0.004869092039709394,-0.004903980145012782,-0.00493886825031617,1.7365935956443777,-1.3287530627516835,77.83419866244624,-9.978010189009298,-31.710543704943447,1.953651134050586,-0.2681397997011712,-0.27384950854493484,-0.27955921738869494,10.740244390267542,-6.9883117731980775,78.84871794871798,1.4292965154503632,22.033944773175552,-4.943563445101901,-17.066982248520706,-17.75715976331361,-16.447337278106513,-20.08366863905325,-11.08709401709401,0.008709804942155829,-0.005020387677534454,7.00246088182999E-4,-1.1250751413924912E-4,-2.2940984867775885E-4,3.903833051454012E-5,2.4737552162958277E-4,1.1912185642964287E-4,4.5703612581369634E-4,32.89661742390529,0.14788152994089176,-3.408160296162551,1.3073096452327635,-0.899033182578019,-0.9961957824523273,-1.1063133956432107,-1.9286694615121536,-2.896028491886901,48.604089366924235,-3.19816536964929,-10.111581371155433,1.7408179281723783,-0.17811205123643511,-0.19966136400154572,-0.22408391846866935,1.1458524308459928,-3.1820617001612166,0.06381809609467459,0.001079934674555984,0.013076031017557352,-0.002202984324516993,-0.006171741946861718,-0.006811673872452502,-0.007536930054788723,-0.010585349818728532,-0.0069586173307036436,0.21576543539147944,-0.025225000041709654,-0.04813223622916186,0.0037168864193029686,-3.1824130978492774E-5,-3.405541767369987E-5,-3.658420926160126E-5,0.013782488854320457,-0.011356863784202424,1.1974492101914807,-0.15590640920327029,-0.25992248938478235,0.011768982735244495,-0.0017525477104651712,-0.0019017326982287142,-0.0020708090176940366,0.08524003484339318,-0.059729160454684425,1.2130571992110457,0.022332758053911925,0.18060610469816027,-0.029780502681336755,-0.11154890358510265,-0.12331360946745562,-0.12183212798597418,-0.15939419554804168,-0.09476148732558982,-0.5764064420358673,0.08039744779975243,-0.012917340271847872,-0.02633926364612431,0.004482113063817644,0.028401958858145566,0.013676753638085279,0.05247374985421567,0.004495341512937112,-0.10360215010087669,0.03973994129508187,-0.02732904635735315,-0.03028262053862147,-0.03363000461072559,-0.058628199874149654,-0.08803423326382538,-0.06580033514269865,-0.208039724699307,0.03581628523127993,-0.0036645486739155506,-0.004107912864990699,-0.004610392281542499,0.02357522681261798,-0.0654690117973212,0.016922076035516532,0.20489534814951182,-0.03451974376121861,-0.09670833704762824,-0.10673577385240914,-0.1181002022311608,-0.16586752765273804,-0.10903830976688,-0.11690936500529865,-0.22307667649284013,0.01722651458311264,-1.4749411054069833E-4,-1.5783537160115831E-4,-1.6955546746967966E-4,0.06387718602524937,-0.05263523216124405,-0.1301987657400014,-0.21706347724194405,0.009828377383423677,-0.001463567469542133,-0.0015881531191829117,-0.0017293501887757723,0.07118467665928202,-0.0498803289077566,0.01841030914983796,0.14888506891152684,-0.02454995749640293,-0.09195683736731655,-0.10165523072420406,-0.10043395156074418,-0.1313987466145119,-0.0781179052292186,1.6129596134614255,0.938478674019621,1.037858493435939,1.2297499012815767,1.2682429670971795,1.323437096001919,1.4199422770238352,1.1936167916577713,1.1546815472915262,1.1615237533964742,0.9312820994177241,1.050969173456895,1.0663272763305083,1.083733126253937,1.1244724071182877,1.1314131687483775,1.4579002119948425,1.3532424066904152,0.9295956458660636,0.9710627490557526,0.9684124742567067,0.9654088294844546,0.9336586710294451,1.0790718586501258,0.7106043294889152,0.7030246524935793,1.0037905569800811,1.3117597196717832,1.3886627365746054,1.475819489064471,1.6096715456659563,1.2966975023698846,1.5963744400600428,1.4034832451340746,0.9435306328800694,0.9647554059729226,0.9612654458995404,0.9573101578163739,0.889715233242595,1.0737767632899005,1.619021087414113,1.4020195966911493,0.9496245838009826,0.9715546313036577,0.9698430837312796,0.9679033298159175,0.8937353101158084,1.077738312451685,0.5495756235569573,0.4919614325039496,0.8597624212828026,1.3121290704611759,1.391318800833938,1.4690422593905401,1.5857840214771695,1.5485916146057277,370.8835551926363,185.9417775963181,293.2423226198356,371.80355519263617,14.872142207705448,185.9417775963181,0.9999999999998579,4.440892098500626E-16,1.7763568394002505E-17,-88.37626552139304,2000140.716868667,80005.62867474668,36.27182023620878,370.9478119123321,185.97243711436332,293.288409092257,371.8651092434151,14.8746043697366,185.97243711436332,0.9970623163945334,6.106226635438361E-16,2.4424906541753444E-17,-87.58013119359669,2000140.7287383487,80005.62914953395,36.27182025104484,427.7807293712554,213.0923757295114,334.34243862662555,426.3124296920014,17.052497187680054,213.0923757295114,-1.5959779122326267,1.7208456881689926E-15,6.88338275267597E-17,-84.98990136437975,2000151.8567038241,80006.07426815297,36.2718341599843,371.0152500653286,186.0046146331021,293.33677825672044,371.9297109301342,14.877188437205362,186.0046146331021,0.9939792008756285,1.4432899320127035E-15,5.773159728050814E-17,-85.42962803053891,2000140.7411976708,80005.62964790683,36.2718202666179,487.87552765130727,241.77317529697515,378.26437870901424,483.8926847585389,19.355707390341557,241.77317529697515,-4.329177057356986,1.0547118733938987E-15,4.218847493575595E-17,-86.21377192767652,2000164.6861246729,80006.58744498692,36.27185019549138,377.6105796914837,189.15155821749832,298.0715488613345,378.24771349551565,15.129908539820622,189.15155821749832,0.6925367435129601,8.881784197001252E-16,3.552713678800501E-17,-86.64339756999317,2000141.9692384433,80005.67876953773,36.27182180156038,363.7081914375699,182.1928734042864,289.1077953224567,365.2832482914447,14.611329931657785,182.1928734042864,2.500604686318553,1.1102230246251565E-16,4.440892098500626E-18,-91.84200142419274,2000134.5617857738,80005.38247143096,36.27181254288462,0,11.89,15.997935793130775,-0.31660924661292245,0.2626152392954056,4.338729202270508,7.58164498397623,24.0,64.0,62.0,62.0,22.0,2.0,2.0,0.0,0.0,2.0,49.47627999999998,3.600847195821007,3.5567011295863633,3.447667751876421,3.402880570065974,3.2757835219520572,3.093577602398301,3.019938612485582,2.8438435081095466,1.912910757937584,1.8832343812574768,1.8779016604662868,1.7338369923975756,1.6323625415790588,1.6152833830639528,1.453115048063857,1.2816956958132835,3.562158344853652,3.497716903219863,3.4710042043753186,3.3870690067073475,3.20414307811044,3.107972182828991,3.023020447650502,2.777151554206868,1.873008404928532,1.8342392000429715,1.8176036500720922,1.7149807861003312,1.595421166740155,1.547147974840791,1.4298156770169557,1.246460300043139,3.707359097925738,3.657324346976495,3.6064270949949795,3.5434628218803303,3.403835118623802,3.288005912306442,3.204446055766219,3.012541730215059,1.690749728318239,1.6395878525135184,1.6274207172144683,1.510586164623772,1.3495205720023,1.3035389161771236,1.188907983388184,0.9445193453184119,3.5700378833592463,3.5071837196795794,3.4913200486202474,3.386751278820469,3.1968724729430686,3.129618127272125,3.034682561326171,2.7656026700189145,1.8541861497524623,1.812279494198669,1.7790993469532623,1.7033733519084777,1.5821433892935477,1.5033627353937247,1.406926610227003,1.231069516736088,3.745741807029594,3.6962091472436884,3.66810364507764,3.5848480810424075,3.4414188953079643,3.3619636571239186,3.2660542083362376,3.0619477174459995,1.6453800275812334,1.588475756727294,1.5692209708682536,1.4712809623040735,1.3018274441814108,1.2321608032524487,1.1344235775388174,0.8928725650260523,5.149112113352557,5.149063107375577,3.585035249388612,3.581660437607225,3.518999141468396,3.379290843191715,3.364365922998548,3.2124078735401596,1.7668295386421848,1.7172222609005852,1.7149190977465611,1.5400458158278205,1.3809604150418913,1.3720421105898044,1.1977131560900363,0.953328626262789,0,0,2,0,0,4,15,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5773502691896258,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.8164965809277261,0.8660254037844387,0.8164965809277261,0.16666666666666666,0.1767766952966369,0.16666666666666666,18.589729380923657,12.201907262607799,8.96123804713689,5.994800481421252,3.99730912097825,2.655648531174489,1.756999609194027,1.1474472102039799,0.7435891752369463,0.5084128026086583,0.3584495218854756,0.24978335339255217,0.1737960487381848,0.12071129687156769,0.08366664805685843,0.05737236051019899,16.653808442026765,10.515167193676996,6.830027657440981,4.283683017500119,2.6430287915354818,1.5959656539819909,0.9045740671533143,0.5472371680023413,0.6661523376810706,0.4381319664032082,0.2732011062976392,0.17848679239583828,0.11491429528415138,0.07254389336281776,0.04307495557872926,0.027361858400117067,34.69575249338487,64.07938820101977,60.90588235294108,61.800000000000075,38.89204790419167,499.925880239521,0.5337808075905365,0.9858367415541502,0.937013574660632,0.9507692307692319,0.5983391985260257,7.6911673883003235,5.964100000000008,102.52100000000007,198.14155390231394,310.7921910271682,396.28310780462795,15.851324312185119,198.14155390231394,2.220446049250313E-16,8.881784197001253E-18,-90.10913347279288,2000144.8458839625,80005.7938353585,36.27182539710947,788,0.0,0.0,4.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,17.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,33.492537612103504,-0.13305694780438726,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.127887359854251,1.0883680555555557,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.340454166885905,0.0,16.13339850214831,0.0,0.0,0.0,0.0,0.0,0.0,-0.13305694780438726,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.07334434548825,10.419193266615256,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.209596633307628,-0.06652847390219363,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2485085416587659,0.5441840277777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1702270834429527,0.0,0.5214081790123456,0.0,0.0,0.0,0.0,0.0,0.0,-0.06652847390219363,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.536672172744124,5.209596633307628,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.536672172744124,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5735938934802571,0.5441840277777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1702270834429527,0.0,1.212252456538171,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.536672172744124,5.209596633307628,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,53.83333333333333,2.1533333333333333,0.5735938934802571,11.536672172744124,0.0035045630785356385,-0.06652847390219363,9.670135307770616,1.7331951405688604,4.536672172744124,25.66598355797882,1.7331951405688604,4.536672172744124,25.66598355797882,11.83332,0.47333,0.0,0.02667,0.50103,0.82267,0.42987,0.50103,0.82267,0.07116,0.0,-0.07116,0.0,0.57536,0.13893,0.0,0.14084,0.08451,0.0,16.5,0.66,13.5,0.54,3.0,0.12,-10.5,-0.42,0.0,0.0,30.27195,1.21088,39.01046,8.73851,0.34954,10.08676,0.40347,12.20189,2.11513,0.08461,0.21211,0.00848,0.21211,0.00848,0.0,24.04,4,4,4,4,0,0,0.9047619047619048,1.2052018180461705,1.8226318110080133,3.078172549483861,3.856017906672556,4.003609644584245,3.9803823368253677,78.33811817300109,118.47106771552086,200.08121571645097,250.64116393371614,260.2346268979759,258.7248518936489,0.2001209251017356,0.30264372213617263,0.5111233064883075,0.6402826971694858,0.6647899578506412,0.6609331180693465,4.817165994982284,4.199736002020441,2.9441952635445934,2.166349906355898,2.0187581684442097,2.0419854762030867,0.1993916667654507,0.30154086166728417,0.5092607279901489,0.6379494504375288,0.6623674044949909,0.6585246193786983,10.713219147006349,18.36821996224077,23.430829125829923,25.170485854779393,25.31923250276318,25.04050480965667,91.51815325683201,65.82642288193978,50.09982886110557,42.04245961546428,40.899011388182664,42.29473069386876,25.0,20.3136,20.166666666666668,25,3,9,3.33,3.2162999999999973,0.045454545454545456,4.051932926381846,0.3903600291794133,0.0,23.407088993236496,6.746863987713742,0.0,0.12499999999999997,0.0,0.0,0.09999999999999998,0.894427190999916,0.09999999999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.7630000000000001,0.7480000000000002,0.989,0.12,11.433000000000002,25.0,24.0,23.0,22.0,21.0,20.0,19.0,16.0,16.0,235.0,3.295836866004329,3.4011973816621555,3.367295829986474,3.332204510175204,3.295836866004329,3.258096538021482,3.2188758248682006,3.1780538303479458,2.9444389791664403,3.091042453358316,5.60947179518496,1.1574468085106382,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.0,0.8333333333333334,22.0,0.9166666666666666,2,11.0,22.0,1.0,2.5,1.1111111111111116,0.625,0.40000000000000024,0.27777777777777785,0.20408163265306128,0.15625,0.049382716049382706,0.08000000000000003,0.049586776859504134,0.10416666666666667,0.04444444444444447,0.026041666666666668,0.017391304347826098,0.01262626262626263,0.00971817298347911,0.0078125,0.0025990903183885634,0.005000000000000002,0.0030991735537190084,0.25365908808014553,198.14155390231394,310.7921910271682,396.28310780462795,15.851324312185119,198.14155390231394,2.220446049250313E-16,8.881784197001253E-18,-90.10913347279288,2000144.8458839625,80005.7938353585,36.27182539710947,52.60000000000001,401.660125244647,5.643856189774724,4.59511985013459,5.2832037287379885,5.998936561946683,6.70073110954781,7.422373700986824,8.130647968160584,8.855805992536562,9.567805004029164,10.295360707124825,115.84998462320503,3.8918202981106265,0.0,5.003946305945459,0.0,6.248042874508429,0.0,7.554334823725748,0.0,8.896861744480391,9.2057297594185,356.29265976000113,5.481425534769248,48.4684904227142,1.9387396169085678,10.971961024547593,10.971961024547593,0.0,2376.0,24.0,7.3309999999999995,98.0,1.2469062499999997,2.148071891094572,2.8722423645114215,3.6500725240094205,4.9352699620525975,5.932887601386562,7.19681846454512,8.280044713745164,9.50547175763399,10.603149528857308,93.86174425953129,97.64152696717879,98.23951290973176,139.07852414987298,177.97471557661083,219.63958568190532,257.2978742894431,304.80954825612747,294.2166493009417,334.7390418856933,298.3884403205205,346.7551019076234,368.4256697328157,511.1831357006212,654.7660074804663,798.2829321229013,960.3196924400307,1155.515756802255,1213.5180719480434,1274.646548322844,9.415767123125006,16.02524969852321,21.057766077042107,27.251189927501574,36.87951727959803,44.5553671562056,54.203703342107765,61.751871771537544,70.53390679304347,76.60324169420286,2.13323807376875,2.705170739803303,2.9638160470039563,4.01767969889159,5.169520446680045,6.262342796834818,7.540586136178142,9.157820440959927,9.909450867021976,10.812729176666735,179.69070283162327,334.2069035494607,472.85893617072105,590.6277788436325,808.6596087795932,969.4208508114036,1183.530669407538,1336.8229460976777,1554.5974810981002,1740.2804199803131,3.0202213541666656,5.038633303094743,5.691678446415341,8.082116686827838,11.103173480599914,13.811101725487802,16.792679006804573,19.648913755153263,21.237011873333596,24.47278081855359,0.4668672656249996,0.610407037309709,0.6792670883829772,0.9298657864007199,1.2084275636642983,1.4724649655347442,1.767077658932831,2.1087795875943747,2.2771006095048842,2.412636411005306,836.6202608179027,1605.2663144014155,27.69282688532536,259.3694231502138,-497.6654492705242,-32.88483774455032,577.250837667689,2102.9317636719397,60.57766462987568,0.7633468389856132,1.4646728321286961,0.025267415643057258,0.23665316101438705,-0.4540785890143488,-0.030004696417842362,916.9271752551361,1759.3553206054698,30.351052586231493,284.26621210939544,-545.4361984678525,-36.04144292699248,0.13626022293222775,0.1644867819432842,1.1270076680570542,1.5177445633098732,1001.5055404193944,94.48414354872209,0.9137910283912212,0.08620897160877908,1792.784872720029,42.341290399798034,12.148128944030844,2180.2663159915346,46.69332196354779,12.96691055359859,3357.696803425507,57.94563662110812,14.974321701453931,5.643832646288136,5.643832646288136,22189.441908899644,22024.563717968384,228.21685038307623,1.0074861047438932,97.22963870394881,96.50717587679779,9.214038607561196,14.009685516637578,27.949268976608735,0.994996171999495,11.182474252583875,18.071149710437837,8.825006595651512,79.2317583207242,25.843026451579536,3.3235363531228224,20.817633255359862,18.03630197062194,49.230758872165076,1.590726174560005,13.131753524954918,31.626329571957363,12.527509754297375,21.106268992219544,3.858239581539066,34.407122198946915,7.281914329015832,9.407873549962133,3.306507108210357,0.8948019267170854,56.56921538732466,5.941247014868425,14.259737053511264,0.38466413450140474,0.5481417927286595,43.05956989415805,7.713172130707738,16.207861108208068,0.1644086703412434,3.2430429108484637,0.9714826163481305,18.37273838751719,0.7736054064159427,19.554637144332165,0.32259578153908264,3.377249675898779,3.790848040409141,1.0943399413116845,13.227645186819938,0.048298565179238195,9.717710294134001,3.704914828215823,1.3171177001023648,5.54725893482796,0.4312687903629574,13.544597184124319,1.8215237206278567,2.2481206011911095,1.9045255736073408,0.008967257596049783,13.838945420918213,0.3113046096959131,5.690463813609022,0.008778898737655416,0.03743237481834029,7.0831349939705515,0.3590908165619376,5.449694264414471,0.006826732279337803,1.2153900088396787,3.041229435092508,17.810596830275053,1.960828044894791,22.704610748104074,2.0351149075448913,3.022460947635194,5.69031593568335,2.714351906913278,15.982494537684703,0.21200457525807806,9.299283420908342,6.37807491012571,2.339973139712574,6.448751884630352,0.74710538116573,16.56997778362046,1.7771109865305736,2.9770853567849604,1.2025764286145408,0.07251982228753392,19.22048813331116,1.1269062639174956,5.407185563851234,0.034972494933623956,0.08845661205207699,12.45304676241956,1.3490924460720755,6.039032623343774,0.021472013359088115,1.5573036633811868,10.565573710479375,18.372239988399418,9.29556947140367,76.06146840400439,23.352082650437406,3.503262113209432,21.78647896809297,17.414281308408718,50.049151596336856,1.4428430382993833,13.28334477559197,30.259517414692255,11.9359407399354,21.621238874066854,4.845960783059211,33.686568668269835,7.586508058862361,9.039497879038535,3.6606843034321566,0.7990872282438621,54.68668645345178,5.478964727871309,14.717446868335916,0.3459431827582495,0.5051947962802322,41.37944401422078,7.082164655498772,16.575967977263357,0.1518198825100614,3.114702789427147,4.467049140998042,17.597023196075607,2.6292153006476577,27.05114241328762,4.176202686312593,2.896352220108158,6.994552520024837,4.109996024689832,18.41680703134944,0.3692592886875652,9.381160664779962,9.008983328788183,3.2807059760660087,7.455788186417723,0.7398064399681492,19.0328005631414,1.9973789291644097,3.612124507632143,1.0578888586844932,0.15096512395857195,24.17331267670821,1.7859318567613403,5.9254359599925115,0.06788531062905381,0.13958657492993562,16.562805094243892,2.180454907560201,6.714879678003873,0.03612894268135224,1.8144207920925672,13.50450319878469,18.262251286956378,11.711449831437593,106.97882045920075,37.66405913414385,3.5125697891814838,27.098831095789077,25.2566729042029,64.6269126139574,2.199005076509964,14.838182598832708,42.19409296875012,17.372144354167244,27.63631414389728,5.634986278642475,40.11617169637515,9.892729193956058,12.366262585676013,4.463593129195321,1.296292947894934,69.64591745123461,7.787874722839686,18.406707623453837,0.554476071558937,0.7460538889917661,54.156706234940636,10.254903585252976,20.793098946225328,0.22979500814057938,3.7985292746191797,7.3140355157914385,18.571165144971264,8.004128800605885,63.07823632873436,12.78863738790589,3.8451217230611565,21.808475543945242,15.851976728483251,52.6471139383516,0.7494405202856038,12.431009755001567,26.95231112942367,8.713599669599768,27.200869659575947,5.523790828363039,27.80541793910886,11.351071020837969,7.811957185288299,9.350880233745674,0.373135491637348,47.00321666071649,3.149075635894673,17.920939309171345,0.1783840108608537,0.2894867495889549,34.91415404450814,3.9662770035177664,17.432108251496576,0.09868899486493528,2.2886719519548477,71.58446711935551,0.8809294306624778,0.483437543076923,0.9812969324225493,0.012075990543430271,0.564873345449714,0.5973217234467131,0.5846068040979538,72.9488340930949,98.09335712996634,201.52818031365155,0.971945398633824,1.7468018729943808,61.72943422911547,0.5684812629304687,0.08883773477942611,0.9894638049952685,0.009112211062877212,0.42004721292571084,0.2487459343800568,0.019741405531031177,62.38675322682536,40.626432424344344,106.13068181473092,0.9841957074929027,0.6885345528367989,67.49005329179538,0.6264218615677315,0.24536279546598316,0.9872474953396327,0.009163326796986167,0.5021032506218304,0.30203681586936765,0.15059152786228563,68.36183794882909,58.99049358127022,137.72559450382062,0.9808712430094491,0.9547315943534835,70.50488704749301,0.884836239129541,0.4628815156545155,0.9812432999681405,0.012314602115879031,0.547963881137984,0.602631570946946,0.5359481723423707,71.85260480227707,95.43026241242511,196.1598597568909,0.9718649499522107,1.6865436244273007,69.78456651725864,0.6745525814916746,0.3226023149592928,0.9859122542298353,0.009530039225084762,0.5368244150052744,0.350233455479666,0.26032631843488946,70.7817214137096,69.80363442374367,155.77133058264295,0.978868381344753,1.14738418891983,71.84458111051974,0.919405819324961,0.5118242100409239,0.9804679060238087,0.012547194019726222,0.5689859252342019,0.650639728195604,0.6552767623962885,73.27581113988563,103.2966960897719,210.38071043390795,0.970701859035713,1.8749024158260945,70.71480936035107,0.8983890351562884,0.46612664995860426,0.9810692499651711,0.01246389355879242,0.5512317712751706,0.6212336066394291,0.5434892831830821,72.07932504546596,96.91022961342541,198.60230541422413,0.9716038749477566,1.715954661097682 +UMLCN0374,L,dihexyl phthalate,CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC,Aromatics,Esters,C20H30O4,BioCompoundML (2016),Unknown,PubChem,,48,0,-1.3481999999999987,1.8176432399999967,85.6136,58.411789999999954,6,6,54,24,30,0,20,0,4,0,0,0.0,0.0,0.0,0.0,0.0,3939.6363439999986,4112.950752000003,5236.321748000004,5596.125246000015,5834.953550000013,5616.976924000011,4596.159160000016,4404.428903000018,4227.916846000013,10268.413475771951,12881.77973505843,17281.72185329292,18552.406352938233,17757.192401146454,16637.307653037442,15976.69099874662,15827.884214615033,15352.03527188857,405.7711039999997,409.46155200000027,738.9787520000006,951.4347120000017,934.0055600000014,871.1703520000015,788.9922880000015,804.8215160000016,729.4120720000012,71.68920314546992,91.64256929999992,130.03054192158382,142.75828535190308,130.55540723626183,121.67468179662077,121.42099518837578,120.28564586437581,117.41250056958381,8825.22182573747,7796.034811497003,15182.396588712572,20904.16739274345,19908.843341117015,18141.4786169018,16653.083393063367,16971.80656164867,15173.30061546518,210.1111111111111,146.5,262.8888888888889,298.9444444444444,357.9999999999999,404.0833333333334,274.1666666666666,286.08333333333326,270.6666666666666,72.95622859259257,76.16575466666673,53.43185457142861,43.38081586046523,47.8274881147542,50.60339571171181,44.19383807692323,41.946941933333505,44.0408004791668,190.15580510688798,238.5514765751561,176.3441005438053,143.8171035111491,145.55075738644635,149.88565453186885,153.6220288341021,150.74175442490508,159.9170340821726,7.514279703703698,7.582621333333338,7.540599510204087,7.375462883720943,7.655783278688537,7.848381549549563,7.586464307692323,7.664966819047634,7.598042416666679,1.3275778360272208,1.697084616666665,1.3268422645059574,1.1066533748209542,1.0701262888218184,1.096168304474061,1.1675095691189978,1.145577579660722,1.2230468809331647,163.43003380995313,144.37101502772228,154.92241417053646,162.04780924607326,163.18724050095915,163.43674429641263,160.12580185637853,161.63625296808257,158.05521474442895,3.890946502057613,2.712962962962963,2.682539682539683,2.3173987941429797,2.9344262295081958,3.640390390390391,2.636217948717948,2.724603174603174,2.8194444444444433,0.5991335653278984,-0.3407106101823449,0.039394267179257994,0.07784953721662195,-0.26618248945030226,0.3235707115672855,-0.06741249827412198,-0.10636355905857096,0.05898513262267524,1868.139752592595,46.399346074077044,-70.09704685322177,906.1244579176941,531.1305741426614,202.32559833745,-294.3216198079556,-558.9779660041143,-683.864055497941,2737.8891341818457,-102.95285615193146,-476.31978569368846,819.6828525184917,447.3932907398896,227.95679330348807,-255.7091076019358,-119.49559838203788,-726.8256129170766,3.9912592592592544,0.03322607407407027,1.49212830727023,0.4529419917695505,-0.6370627709190788,2.0015084115226163,-1.0347582770919121,-1.8125986337448678,-1.2209435720164672,12.33930005280146,-1.079155788148135,-2.22328294384016,0.9515154373033503,-0.3419325112480145,1.9133452578351762,-0.8566529832416636,1.348911533382935,-2.189537963677515,68.97986204080138,-6.948838518426883,-11.506048709407539,0.4877839067625682,-6.377809901521976,12.941733964642717,-4.623375504619652,9.835980820801389,-10.544837917689005,77.3621399176956,0.16255144032922172,22.45800944977897,16.60608139003201,-1.1268099375095202,33.071444901691784,-22.0698826398415,-34.3492226794696,-24.853680841335166,0.011095066024590712,-0.006309455744117498,4.019823181556938E-4,6.034847846249764E-4,-0.002181823684018871,0.0029150514555611306,-6.481970987896343E-4,-0.0010129862767482949,6.144284648195338E-4,34.595180603566575,0.8592471495199453,-0.7152759882981813,7.0242206040131325,4.353529296251323,1.8227531381752253,-2.830015575076496,-5.32359967622966,-7.123583911436885,50.70165063299714,-1.906534373183916,-4.860405976466208,6.35413063967823,3.667158120818767,2.0536648045359285,-2.4587414192493826,-1.1380533179241703,-7.571100134552881,0.07391220850480101,6.152976680383384E-4,0.015225799053777857,0.0035111782307717097,-0.005221825991139991,0.01803160731101456,-0.009949598818191463,-0.017262844130903503,-0.012718162208504866,0.22850555653336038,-0.019984366447187686,-0.022686560651430203,0.007376088661266282,-0.0028027255020329055,0.01723734466518177,-0.008237047915785226,0.012846776508408904,-0.022807687121640784,1.2774048526074329,-0.12868219478568302,-0.11740866030007692,0.0037812705950586683,-0.05227713034034407,0.11659219787966411,-0.04445553369826589,0.09367600781715608,-0.1098420616425938,1.4326322206980666,0.0030102118579485504,0.22916336173243848,0.12872931310102334,-0.009236147028766559,0.29794094506028634,-0.21221040999847596,-0.32713545409018663,-0.25889250876390796,-0.568672212507203,0.03623072789875738,0.05439217606163262,-0.1966481027857927,0.2627340341283516,-0.0584221037849611,-0.09130060826164962,0.05537853163358706,0.024837192190618643,-0.02067559630616411,0.20304043746743652,0.12584207454036236,0.05268806540028033,-0.08180375201697132,-0.15388269647249148,-0.20591260942000927,-0.03760300403204475,-0.09586287459649306,0.12532394035201092,0.07232818014867831,0.04050489045024074,-0.04849430715869454,-0.022446080230443498,-0.14932650199805395,0.008324709550498296,0.2059984319476647,0.0475047127098582,-0.07064903209867966,0.24395979603076406,-0.13461373999594642,-0.23355876492017125,-0.17207119724583456,-0.08745680739833604,-0.09928231503691293,0.032279690582445064,-0.012265458856024472,0.07543512257070749,-0.03604747315885366,0.056220849520275694,-0.09981239610823645,-0.10073720521964319,-0.09191186338491114,0.002960119172351942,-0.04092448078119966,0.0912727062541501,-0.034801444199560896,0.07333306087411916,-0.0859884487039365,0.0021011755944465565,0.15995965916554353,0.0898551011496157,-0.006446977036622937,0.207967502584237,-0.14812623011862316,-0.2283457326757499,-0.18071107505718362,1.6061833051003302,0.9267351631791918,0.9820121134307878,1.6731368357048244,1.28546622231837,1.3700946758633756,1.5319208570504914,1.2404493382822341,0.9791502771468041,1.0201275946681987,0.7588482862947316,0.9343650615997904,1.0636910092599623,1.1117538927336983,1.213608486566222,1.2354780856503498,1.247606404055419,1.165118403402343,0.8668539687145829,0.8733223069737962,0.8864199258321664,1.0407298683257624,0.9876108291748236,1.1659068885778348,0.6957054118258428,0.721129219253866,0.7999996357242322,1.5086718010394313,1.5278301142536712,1.3517365253988078,1.6565014863166625,1.3536192942448335,1.3805659161867583,1.2034258269866287,0.955978930054,0.960157114618186,0.8622170978331646,1.0434374589336144,0.9225839065455718,1.141710285842838,1.4040797312057796,1.2022998299240046,0.9801434842353081,1.0031207219062876,0.8729338283679843,1.052850099272549,0.9221448325744693,1.1398507022852316,0.5539922336294475,0.49886487123175166,0.6182624137602561,1.4424006901308821,1.561339159788543,1.3679834647505782,1.6540021125743745,1.6443340569977103,251.6315888915614,126.3157944457807,184.80419127403897,252.54825555822805,10.522843981592835,126.3157944457807,1.0,2.3869795029440866E-15,9.945747928933694E-17,-80.80499432290438,393.7524242105917,16.406351008774653,14.341733632430888,251.69376001333387,126.34541116486419,184.85090126523195,252.60773380336218,10.525322241806755,126.34541116486419,0.9970623163944907,3.3306690738754696E-16,1.3877787807814457E-17,-85.5316518744216,393.85102452681264,16.41045935528386,14.342334545899577,306.8217690993406,152.61289559355413,226.45613253021946,305.6247856651663,12.734366069381931,152.61289559355413,-1.595977912232314,1.7208456881689926E-15,7.170190367370803E-17,-81.59030530980456,484.06107387059745,20.169211411274894,14.83730660265346,251.75900978036015,126.37649449061783,184.899924936917,252.67015738116265,10.52792322421511,126.37649449061783,0.9939792008755006,8.326672684688674E-16,3.469446951953614E-17,-83.33255411792362,393.95451745679736,16.41477156069989,14.34296511529813,365.3174917613477,180.4941573519955,270.8578646850521,362.0706089683302,15.086275373680426,180.4941573519955,-4.329177057356674,1.27675647831893E-15,5.3198186596622086E-17,-82.30668848233897,583.3891787604379,24.307882448351577,15.285250820844094,258.14259585832065,129.41756630091686,189.6991952213566,258.7774212065409,10.78239255027254,129.41756630091686,0.6925367435131022,1.4988010832439613E-15,6.245004513516506E-17,-81.92186612215853,404.1274388464611,16.83864328526921,14.404152650181183,259.08406334573124,129.64499948689684,188.34368720286596,260.4030258755086,10.850126078146193,129.64499948689684,2.244920634920547,0.005615074843215329,2.3396145180063868E-4,-12.437520868137076,418.92435564758205,17.45518148531592,14.490456883623251,0,11.890000000000004,15.997934782506455,-0.3127690472153033,0.2951519893402843,4.944354003906258,9.653406246974079,24.0,54.0,49.0,46.0,16.0,5.0,2.0,0.0,0.0,8.0,38.544209999999985,3.8786952590576607,3.490448014947811,3.4618868118965143,3.294362113252725,3.2397954906394153,3.0016410744429747,2.991738971244333,2.5746516428156956,1.957844000306467,1.8813720539691035,1.8770563522851544,1.6284865368804562,1.624859609958417,1.2982573165157174,1.2896824590376175,1.145097090486838,3.8445561002256414,3.4815096532253773,3.475521051099,3.1849479555538918,3.1700812338084354,2.9827346236930086,2.9491359297661983,2.5859771235946023,1.963363736503227,1.8265967880271252,1.8183835629755396,1.5851363072140365,1.572305645002849,1.3063728687222145,1.2954045333320374,1.1106906755932848,3.911145533260063,3.626787448458923,3.6128134794002533,3.394821463060603,3.359690844977664,3.149120118818638,3.1412446628453177,2.801847405994282,1.8803199955042578,1.6334824850839962,1.6295970983096848,1.3362280964891033,1.328846868204714,1.0839741492644284,1.0417712368906245,0.8211075925653991,3.8401859549868487,3.4982189893014883,3.494356366666638,3.177748243379288,3.1702374668047444,2.9783787655183973,2.9307042285062295,2.6100641806067792,1.9696889962292707,1.7947043801103797,1.7815481401673843,1.570934241301781,1.5451767645331753,1.3130841154935768,1.312466773192831,1.0667140976651048,3.9170468312828803,3.6807156625142907,3.671834717956745,3.4266732372557014,3.4061893895086195,3.1818714343235284,3.1674927307356735,2.89366370259167,1.870499431848018,1.5777986943652542,1.572554249093816,1.2842142313998186,1.272159351141328,1.060117462156147,1.0254079602220194,0.7316305163861173,4.908022723277873,4.863459331786332,3.835593951082609,3.5021699665217176,3.501432636072906,3.2765521998446836,3.2764041087131006,2.885924348429071,1.7967696074915942,1.779737065577966,1.7624489299006025,1.442339520345976,1.4390009089542768,1.0246267946555103,1.01836084448637,0.8791965114929832,0,0,2,4,2,4,8,0,0,0.0,0.0,0.0,0.08333333333333333,0.09622504486493763,0.0,0.0,0.0,0.027777777777777776,0.027777777777777776,0.7435700477669405,0.0,0.24800564528543081,0.0,0.22767090063073978,0.0,0.04488959454956774,0.0,1.9454828300717866,3.0981415751581394,4.374484688693853,0.5053913347111423,0.6594223067318925,0.7147040245754992,17.623109575743268,11.701907262607799,8.972511433739227,6.862700496617613,5.1691250951978995,3.837082025872016,2.336063014237163,1.5512742682537237,0.7342962323226362,0.487579469275325,0.32044683691925807,0.20796062110962463,0.13602960776836578,0.09135909585409563,0.06147534247992534,0.04082300705930852,15.013462050479434,9.135410681680073,5.938742507731559,3.828986598940965,2.3820281713948823,1.4254777747817506,0.6974511123147752,0.4005516782967639,0.6255609187699764,0.3806421117366697,0.21209794670469856,0.116029896937605,0.06268495187881269,0.03393994701861311,0.018353976639862504,0.010540833639388524,30.986613474455485,53.640203932993515,51.27843137254895,52.00000000000005,33.899275449101836,411.755383233533,0.5738261754528794,0.9933371098702503,0.9496005809731287,0.9629629629629639,0.6277643601685525,7.62509968950987,5.160800000000005,95.29100000000007,191.32339448913964,293.14695368681754,382.64678897827935,15.943616207428306,191.32339448913964,2.7755575615628914E-16,1.1564823173178714E-17,-85.96922361072708,280.1815622242989,11.674231759345787,13.525050790897163,578,0.0,0.0,4.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,12.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,10.0,0.0,0.0,4.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,34.92828824474387,6.342393111438026,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.201678954563154,0.0,4.734001982565294,0.0,0.0,2.201678954563154,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.270083361709786,0.0,9.125901948774985,0.0,0.0,6.682057609698303,0.0,0.0,0.0,-0.9073491585441431,0.5676846602838665,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.375583127190268,10.552705117553604,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.276352558776801,-0.4536745792720718,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5266089030117709,0.0,0.2713923900023738,0.0,0.0,0.5266089030117709,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.135041680854893,0.0,0.3881279658477461,0.0,0.0,1.6131473607961704,0.0,0.0,0.0,-0.4536745792720718,0.2838423301419333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.187791563595134,5.276352558776801,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.187791563595134,1.7278814440529808,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.574230574269806,0.0,0.6633815192743764,0.0,0.0,0.574230574269806,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.135041680854893,0.0,1.139758491606429,0.0,0.0,1.7278814440529808,0.0,0.0,0.0,0.0,0.2838423301419333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.187791563595134,5.276352558776802,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,54.666666666666664,2.2777777777777777,0.6645392162451145,12.187791563595134,-0.026079246130653155,-0.4536745792720718,8.48276914027946,2.1203412459387385,5.187791563595135,28.396743212907317,2.1203412459387385,5.187791563595135,28.396743212907317,11.33332,0.47222,0.0,0.02778,0.53457,0.82778,0.43333,0.51111,0.82778,0.10123,0.02346,-0.07778,0.0,0.57047,0.14382,0.0,0.14706,0.17647,0.0,22.5,0.9375,13.5,0.5625,9.0,0.375,-4.5,-0.1875,0.0,0.0,23.70856,0.98786,39.69026,15.9817,0.6659,7.78944,0.32456,11.70188,3.91245,0.16302,0.21212,0.00884,0.29812,0.01242,0.1111111111111111,24.04,4,4,4,4,0,0,0.6,1.2799749139041574,2.528749860095535,3.4676694465277853,3.9861879650463043,3.9545304475546987,4.028604521628773,69.1186453508245,136.5524924451589,187.2541501125004,215.25415011250044,213.54464416795372,217.54464416795372,0.22241527978139777,0.43940908647560656,0.6025607703407171,0.6926613184962787,0.6871603391148913,0.7000318459942572,4.474912588259311,3.226137642067934,2.287218055635684,1.7686995371171648,1.8003570546087704,1.7262829805346964,0.21758500442127135,0.42986627590294774,0.5894747339640068,0.677618535001666,0.6722370224356368,0.6848289940124451,11.292326908334145,23.11400607685389,27.31721347035466,27.839789412873174,27.80788417429416,28.696773063183045,86.72084062294508,54.66690561885856,41.87491298956562,38.63748520505704,38.87718966009114,36.42840076927916,22.041666666666668,14.198979591836734,9.333333333333334,9,12,6,3.22,2.837799999999999,0.058823529411764705,4.024476884953421,0.9494724175616781,0.0,17.48953408459526,13.608958500304686,0.0,3.965406456500188,0.0,0.0,0.19999999999999996,1.2649110640673518,0.19999999999999996,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.8070000000000002,0.796,1.391,0.7520000000000001,11.064000000000004,28.0,33.0,38.0,42.0,38.0,38.0,36.0,35.0,32.0,368.0,3.4011973816621555,3.7495040759303713,4.185859671057874,4.613882126590113,5.016037343385251,4.96021880818224,5.135614596623234,4.988304473611242,5.1938245299034325,5.029620594007336,7.087782539222719,3.250679347826087,0.47058823529411764,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,0.5833333333333334,16.0,0.6666666666666666,2,9.0,17.0,0.8888888888888888,2.5,2.000000000000001,1.375,0.8622222222222227,0.583333333333333,0.32489795918367365,0.24305555555555558,0.13958175862937766,0.11125000000000004,0.0908070605040302,0.10416666666666667,0.07142857142857147,0.04583333333333333,0.028740740740740754,0.020833333333333322,0.013537414965986401,0.010567632850241548,0.006344625392244439,0.005855263157894739,0.005675441281501888,0.32836363064697016,144.96137425276254,212.0772539634475,289.92274850552513,12.080114521063548,144.96137425276254,1.6653345369377348E-15,6.938893903907228E-17,-81.66900088457975,321.7995564861838,13.408314853590992,13.857429255190059,52.60000000000001,353.1983058155797,5.584962500721157,4.653960350157523,5.424950017481403,6.22455842927536,7.029087564149662,7.848933726364071,8.671972245203792,9.504575923397805,10.339190843704902,11.180036799680368,118.87726589941488,3.8918202981106265,0.0,5.081404364984463,0.0,6.466144724237619,0.0,7.9603236291488395,0.0,9.5258078304359,9.766922993079902,334.21440944000085,6.189155730370386,47.24743834571072,1.9686432644046132,11.108582948440219,11.108582948440219,0.0,1650.0,30.0,5.922000000000001,104.0,1.24552414335113,2.155557396337625,2.9046342799515164,3.705841449269532,4.89996491630492,5.8082293345487495,6.716201518135656,7.5857165451081565,8.35945700401688,8.984743047497409,105.08884504782883,123.75740692324689,139.82782284014817,201.5623688112208,254.128320430398,271.3979841245345,293.79922618002445,349.24686978543156,328.3680549272188,313.5395054541278,319.18405248823734,401.107265619361,449.89483776140355,600.8449341393014,771.6394833311058,939.8049879742853,1057.7239138951354,1266.1155133063085,1282.9178573525212,1277.7461214262494,9.495373164658828,16.31541845586732,21.5066409261222,28.517647670407378,38.30087371874832,44.080528986435304,51.149184399770405,57.17915231108824,62.873091021802104,66.17537058998204,2.227245335688633,2.9795010248762237,3.39178884803558,4.3328805551097584,5.625318444815381,7.091122870606343,8.029227378352541,9.676644390775417,10.05437266626091,10.353252580567508,178.06367713166154,330.8504673277684,466.51796554705055,593.0188943471472,793.884501954896,921.6446304657227,1076.7433872531446,1187.072137767467,1327.6910474032256,1430.696063141818,3.4640431767849225,5.9131798412732826,6.888137304090323,11.136139322599135,16.72887909824575,15.251975548813878,17.759574734132364,20.982340416951136,21.82824312335641,20.62172070795529,0.48941816396834353,0.6719194401873697,0.7811362877524155,1.0494060795200986,1.3586317394047733,1.6374687105248813,1.850045914228872,2.1915213614778635,2.2772656762887604,2.3243327173678483,583.6090857680894,1092.1160070058352,23.303913430695438,142.70432647020874,-267.044641709077,-22.16383352268186,440.9047592978806,1359.1606487149122,45.4677469533773,0.8035223857006397,1.5036429020913085,0.03208520321672044,0.19647761429936053,-0.36767136226511216,-0.030515522843477482,423.88310649749445,793.218503608473,16.9259448823543,103.64806629974538,-193.95810493967338,-16.097889554140636,0.15711400020655028,0.16660432357818136,1.5366582873158086,1.1956648994535717,650.3116755134191,76.00173672487902,0.8953595852090045,0.1046404147909958,1927.991330535303,43.90889807926524,12.446149851194237,2219.451662163354,47.111056686974806,13.044133360582464,4162.376935262348,64.51648576342599,16.085965593712157,1.5604159109587141,1.3113033317676268,6606.34700509376,3777.725219358749,3089.298069593785,1.7487632428213389,2.1384621542726165,1.2228425792061839,8.945732481897974,8.778643151007918,13.993531147545895,0.5940425993895458,8.720230606095518,11.487012169234925,8.974354195963075,49.99581472268549,18.631368352120763,9.841214830080432,19.039280814048894,24.199291461453146,29.13273232205621,12.019949816018746,22.788367367834,30.09806751306627,32.07402198650435,15.27402562428803,29.827025861068154,27.348016333185225,29.9490632943778,28.39503473056709,19.742727334709375,18.241359647797232,11.674660083394528,8.22804627339567,4.656156131583635,5.4350638583879345,5.113012543852922,0.1365734634150787,3.179904453219841,7.69645474060937E-12,1.0190591578831375E-44,2.749047832606742E-99,0.7649613507188887,11.788895137124257,1.3624264293388229,12.375085815715279,3.5425421807909863,9.236863367601746,7.625114113211597,7.482152307077817,10.245730780328458,1.7759053231133768,7.896931451355932,4.327120343952779,4.319722946110862,1.8164757642946576,8.736019312149232,10.631943670418373,6.085981177018958,8.221938014197832,2.8522304509522427,5.644254282710081,1.2299692410709229,1.9131373193302312,0.45060898525115106,0.31352533519489145,0.1521258684562041,0.0072755940193163894,0.02239632706982192,5.420676004092882E-14,7.177316972633635E-47,1.9361768661729393E-101,2.3742671412352494,11.226733424896096,2.164313138345042,14.672035727367467,2.8778117403067798,7.36145503927116,7.930672110559482,7.441069805888185,10.58335932242912,3.063552045146018,8.93685336692971,7.761604987863276,7.539529244631002,2.9144726082107515,10.77795088790364,12.16939159371747,8.7328417559398,10.094083191295626,4.659551031610481,7.526767717942377,2.751735495700808,2.729893796986646,1.1360242709030086,1.09269400572619,0.6735868073119402,0.026244825474183553,0.2333869957264793,5.648762332581499E-13,7.47931765953154E-46,2.017645574573246E-100,8.241423771783372,11.788134584442497,9.69738270095775,47.605425614287604,18.19588128063554,11.325071105877168,20.43260335689363,25.12227580709773,30.245473615679405,13.08994363903026,22.700390635523448,29.785432005417842,30.89139398739509,14.336422952724718,29.925437561862935,27.23768986115748,29.547943329648533,27.826573883576824,19.085184434970326,17.276528888319433,10.819769467833199,7.691726070270427,4.682715618114677,5.027337737449082,4.635553843817886,0.12603185108660028,2.833237618274026,6.8574026104332114E-12,9.079633629990543E-45,2.44935212625322E-99,3.48400851598952,11.01313410303133,2.718263493984025,17.656587382637124,3.632075594836511,6.865658798448037,8.445632636724222,8.232268712614914,11.50318555406087,3.687144699607416,10.12655085583659,10.260295561899264,10.229827990734428,4.178737054768687,12.442527621447363,13.65005954947294,10.898325869128989,11.918865637885167,6.229774378664591,9.01089363939199,3.9775040997155795,3.428096733559463,1.5703853354998434,1.7066229772355337,1.1773894979773707,0.041470715933455436,0.5069477414350978,1.2269866611428122E-12,1.6246077392498742E-45,4.3825957991470866E-100,10.530960708988143,11.67797872269152,11.892205790598181,66.824199779243,26.710821232200253,11.355394572900375,23.69064263136811,31.67492493926645,37.612489240582505,16.20937628826117,28.601458265130873,39.13110590695298,42.37447526605658,20.55328826516412,38.29915324337201,33.38239365646546,38.84250976465192,35.945867418412185,26.191022157787984,22.288530672677044,15.08643240325337,10.46348176828728,5.994445052936222,7.051634930419808,7.078114969509042,0.17858603634394488,4.637591792599056,1.1224555914256743E-11,1.4862020089900537E-44,4.009227904017738E-99,5.260854166193107,11.098949782683448,9.681852118093138,33.115077952728726,15.12459102092767,17.92960198179092,22.88963399841719,29.90364410247091,25.823402757810737,14.26169336124572,18.333518265337375,24.32716184763323,21.423700785042808,9.484335323711166,23.530181646904037,25.713458736914223,26.060192898400555,22.976560439102002,14.93661573310111,12.773262663792528,6.417864899184485,5.752600617680517,4.901960736912689,3.1527212035605654,2.3374227555806018,0.07717979061261257,1.122209198273838,2.716129503597071E-12,3.5963267997052196E-45,9.701570627766165E-100,12.698970533599008,11.970173625279639,0.6613238641180441,0.5013318554584161,0.47256030225783097,0.43156199572528187,0.4075863951096809,0.4058328062206363,25.33046802299669,168.32317588912485,294.1807452354867,0.4608382365743706,1.244981197055599,11.885704700071729,8.868670851893079,0.3965066147085867,0.5619484145583092,0.4193050096920824,0.4302578941412888,0.29734358017867574,0.14766798556890345,21.15088216667339,113.63965001823495,176.58645416520187,0.47188013637558734,0.8752694598888681,12.411396610424502,10.527120874960735,0.44869819053780513,0.5306915018191729,0.4501228799885882,0.46404915680121445,0.4165025742967949,0.1872269304406436,23.38721567592304,140.94874363432885,222.96119229387554,0.4712215727116416,1.0677786615386529,12.484907058614326,11.710101349726406,0.6613405256739722,0.5022824185385223,0.47111107833305726,0.40989001300567157,0.39930218545473917,0.4080888091266633,24.856348934014704,162.20066657774657,283.74468755009536,0.4600902453073693,1.217281007587074,12.59431735677913,11.279539119102257,0.48861199327629656,0.516955717058115,0.4629883516681362,0.47030228608545216,0.47082752045538284,0.22014700197171105,24.362468469157683,153.72314790405136,247.4969054808179,0.4699161030893769,1.161276808512546,12.814599540448993,11.977767543289465,0.6951257210435013,0.5027799179229084,0.4699468729635972,0.4620734962191441,0.4077491971303871,0.4490772240877368,25.487492804781958,170.7241065013009,302.9066509128794,0.45909018632975845,1.318899917437268,12.580690398713577,11.779624579478272,0.670345972884665,0.5026111944587908,0.47060781185531003,0.4160744857043148,0.4095935060074094,0.4195716259557205,25.030660951076513,164.52564889132563,288.8987741720505,0.45982850947115117,1.2452396176674447 +UMLCN0375,L,dimethyl adipate,COC(=O)CCCCC(=O)OC,Esters,,C8H14O4,BioCompoundML (2016),Unknown,PubChem,,5,0,-0.4840000000000011,0.23425600000000107,38.8984,26.623101999999978,0,0,26,12,14,0,8,0,4,0,0,0.0,0.0,0.0,0.0,0.0,2192.2098679999986,2043.8037709999992,2446.812683999999,2233.440826999998,1797.5464239999983,1516.220510999998,1319.4637819999987,1445.6638939999987,853.4912520000001,4688.870743885086,5540.274150388836,6823.506062718376,7028.334594045805,6367.105494173914,5241.2302986371515,4234.4319536820285,3232.96800823244,2272.342639697562,207.7894880000001,197.55273200000005,349.9758239999998,382.41417199999984,384.7590399999999,345.66869999999994,282.78380000000016,220.28578400000015,163.46289600000006,31.108596667885976,37.57016034000001,48.84861392449003,51.63783632618804,47.60041262279203,40.70563070558405,31.684101846187993,24.621413958187986,17.373980718187997,4345.007120269486,3697.747418920601,7155.284965630792,8010.723647632389,7948.677686792293,7577.628695867786,6098.673540829189,4745.631156809989,3751.1204242283884,159.05555555555554,84.75,152.33333333333331,155.41666666666669,164.16666666666669,121.94444444444446,112.0,145.91666666666669,63.99999999999999,84.3157641538461,81.75215083999997,55.60937918181816,45.58042504081629,37.4488838333333,33.69378913333329,36.651771722222186,51.63085335714281,38.79505690909092,180.3411824571187,221.61096601555343,155.07968324359945,143.4353998784858,132.64803112862322,116.47178441415892,117.62310982450079,115.46314315115856,103.28830180443464,7.991903384615388,7.902109280000002,7.953995999999996,7.804370857142854,8.015813333333332,7.681526666666666,7.85510555555556,7.867349428571434,7.430131636363639,1.1964844872263838,1.5028064136000003,1.110195771011137,1.0538333944120009,0.9916752629748339,0.9045695712352011,0.8801139401718887,0.8793362127924281,0.7897263962812726,167.11565847190332,147.90989675682403,162.62011285524525,163.4841560741304,165.59745180817276,168.3917487970619,169.40759835636635,169.4868270289282,170.5054738285631,6.117521367521367,3.39,3.4621212121212115,3.1717687074829937,3.4201388888888893,2.709876543209877,3.111111111111111,5.211309523809525,2.9090909090909087,0.5168554221674578,-0.3032626567520345,0.0789016779521083,0.041698448497518026,-0.025334236424503803,0.02043409003362271,-0.3804929321414262,0.40053973582820146,0.05392866767651614,1025.123467384615,14.153407899407725,62.46628104141999,-141.43714722485186,-715.5885447100596,-46.122798088756994,-82.99852145562093,488.77640512426086,404.94067498224905,1191.9105561254678,-186.11772756788272,0.01555878954553691,-117.26705481243107,-511.4044948267448,26.879348558076913,17.503769951528056,94.38985222263716,222.4776219285796,3.546088615384617,-0.1063156686390529,0.8344297278106515,-0.960676852071007,-2.1214263668638997,-0.7406410650887598,-0.9694193136094675,3.5575568757396443,0.41158040236686083,5.30203154394739,-1.6234976681514712,0.19333574980104584,-0.696656917554606,-0.9389644977262481,-0.020551378747015472,-0.020769429405151432,0.14167377180942858,-0.5527398451170211,30.392433516747356,-10.277282742405516,1.7959932834779009,-4.547292467839271,-3.6792805679416354,-0.7197681617469665,-0.7554538420204804,1.9675982596710133,-5.5865095011785035,69.20512820512818,0.11900065746219692,15.62721893491125,-13.583168967784363,-45.46844181459563,-14.404174884944132,-15.792570677186072,56.16157133464827,11.758053911900069,0.01987905469874838,-0.01213050627008138,0.0017932199534570067,8.509887448473067E-4,-5.277965921771625E-4,4.540908896360602E-4,-0.010569248115039617,0.01430499056529291,0.0024513030762052792,39.42782566863904,0.566136315976309,1.4196882054868178,-2.8864723923439155,-14.908094681459575,-1.0249510686390444,-2.3055144848783593,17.456300183009315,18.406394317374957,45.84271369713338,-7.444709102715309,3.5360885330765706E-4,-2.3932052002536954,-10.654260308890516,0.5973188568461536,0.48621583198689045,3.37106615080847,10.1126191785718,0.1363880236686391,-0.004252626745562116,0.018964311995696623,-0.019605650042265447,-0.04419638264299791,-0.016458690335305774,-0.026928314266929654,0.1270556027049873,0.018708200107584585,0.20392429015182267,-0.06493990672605884,0.004393994313660133,-0.014217488113359307,-0.019561760369296837,-4.566973054892327E-4,-5.769285945875398E-4,0.005059777564622449,-0.02512453841441005,1.168939750644129,-0.41109130969622065,0.040818029169952294,-0.09280188709876064,-0.07665167849878407,-0.015994848038821476,-0.020984828945013342,0.0702713664168219,-0.25393225005356834,2.6617357001972377,0.0047600262984878764,0.3551640667025284,-0.2772075299547829,-0.9472592044707423,-0.3200927752209807,-0.43868251881072423,2.005770404808867,0.5344569959954577,-0.6102154480637925,0.09020650029047463,0.042808310442492344,-0.02655038683556686,0.02284268022385645,-0.5316776011338746,0.719601147140743,0.12331084718830305,0.0143588013382796,0.03600726597043977,-0.07320901782924898,-0.3781110022842954,-0.0259956274853445,-0.05847429945172375,0.4427406251036077,0.4668376712443323,-0.16239678025825158,7.713523585096334E-6,-0.05220470184345449,-0.2324090231498827,0.013029744722191369,0.010606174739112234,0.07353548424467002,0.22059381661788838,-0.031180353165715383,0.13904675414735299,-0.14374905886090308,-0.3240488530750693,-0.12067548082735555,-0.19743899458762754,0.9315744835021194,0.13716893613061662,-0.3184510618019597,0.02154718454770043,-0.06971944393075644,-0.09592658311931848,-0.0022395434361900646,-0.002829131312204218,0.02481203960967778,-0.12320522678149182,-0.35167878367528704,0.034918847739979796,-0.07938979493821077,-0.06557367773364381,-0.01368320996014356,-0.017952019283671315,0.06011547334077721,-0.21723296680914675,0.0017883166604915556,0.1334332581090641,-0.10414540028682845,-0.35588026429541797,-0.1202571597162188,-0.16481069806375492,0.7535573139963659,0.20079266170411053,1.5770696103585593,0.9906543490457957,0.9916242188880813,1.0209100587101205,0.821005586088802,1.456532165170306,0.09462076012259517,0.7938001230908147,0.8732357842551866,0.9281180269082613,1.0134303588014213,1.3689981732123686,0.96367290357103,1.0405648047604672,0.5272274722606719,0.4378699998403107,1.4088623589503,1.010723738957714,1.054421755533606,1.170728442614128,0.9222253733758,0.8904491436058353,0.84321184215187,0.709593732837313,0.744314168729177,0.8367394598810525,1.0356642321130514,1.4331048143069232,0.9911258237461718,1.229618485052489,0.02985683988286808,0.5512078321172506,1.7550333144595363,1.030167420224834,1.0961541778669148,1.0503671451368726,0.9037355308315658,0.8660324481331663,0.8474045316630786,0.9700657399456153,1.807862604235559,1.0254949436097487,1.1059530871599903,1.033749542754611,0.9027812913939843,0.878646856933691,0.8030242199211068,1.028915940211923,0.5502964060763248,0.5564631120392516,1.0855778028143461,1.7397454304063242,0.9845038628847452,1.1971812262429162,0.19495756805871672,0.4693447067937621,76.09307166627326,38.54653583313662,62.572506743347994,76.92640499960658,6.410533749967215,38.54653583313662,0.9999999999999787,3.885780586188048E-16,3.23815048849004E-17,-42.580845121418086,58.590182690007566,4.882515224167297,4.88468058199303,76.11555913421103,38.55631072530289,62.58471575557382,76.94644439787331,6.412203699822776,38.55631072530289,0.9970623163947678,1.1657341758564144E-15,9.71445146547012E-17,-41.262510375016355,58.595058279387395,4.882921523282283,4.884780435988477,96.22864224785692,47.31633216781243,73.60587700776783,94.8986606543302,7.9082217211941845,47.31633216781243,-1.5959779122320654,1.6653345369377348E-16,1.3877787807814457E-17,-43.59760255388274,63.347418224570184,5.278951518714182,4.978360982143493,76.13916078800872,38.56656999444225,62.597529965712056,76.96747678873854,6.4139563990615445,38.56656999444225,0.9939792008757777,6.661338147750939E-16,5.551115123125783E-17,-41.93404932053886,58.60017648336542,4.883348040280452,4.88488524988795,117.78960860607705,56.73021577436022,85.6308655569617,114.18196105827988,9.515163421523322,56.73021577436022,-4.329177057356617,3.885780586188048E-16,3.23815048849004E-17,-42.580845121418086,69.29736450501001,5.7747803754175004,5.086088250290345,78.4511926614325,39.571864702472844,63.854196322351214,79.02830661436019,6.585692217863348,39.571864702472844,0.6925367435131875,5.551115123125783E-17,4.625929269271485E-18,-44.91593730028446,59.106750740613116,4.92556256171776,4.895214172341943,78.239409434216,39.52428723254843,66.78593815554036,79.09472155394948,6.5912267961624575,39.52428723254843,2.4603174603174693,9.43689570931383E-16,7.864079757761526E-17,-41.516081287417,54.959609141867084,4.579967428488923,4.807918243446199,0,11.996291860852361,15.999285834554785,-0.3496089928343399,0.2622580851112807,4.018035156249999,7.232872193212271,11.0,25.0,23.0,23.0,9.0,2.0,2.0,0.0,0.0,2.0,21.052897999999995,3.5858184682761487,3.4407485642317166,3.0353994541119045,2.702126786002241,2.5487242983636302,2.1828970411147446,1.6088239285495476,1.1976754481950012,1.8484155980664074,1.5560269257812847,1.4335705819358397,1.3480388025188992,1.0010199695280944,0.6508643242028148,0.40857552846766504,0.3949108521847428,3.5214316280174147,3.2746763472817078,2.917874525898602,2.6772470356178344,2.4809657463246095,2.0752245252831534,1.6012168796445325,1.287436895556094,1.826310013231926,1.6075392663140025,1.4210749828582938,1.274277793333604,1.004304090987417,0.6769268392070568,0.4547718509430538,0.35462232352371564,3.679055432655264,3.5013806522793063,3.190348788429192,2.950283489192188,2.7591532276750987,2.409174860444327,2.0135599537571145,1.7655665466010448,1.6365732681480236,1.3548144234434911,1.0895560013162875,0.944643817760038,0.6865206548194562,0.2851221924990533,0.023375763416843783,0.1795935448785064,3.5199471669005087,3.236251642872859,2.8922294074102677,2.6967167901985163,2.482175231681489,2.054247583152855,1.6250881033121551,1.360874885840565,1.8197840030771841,1.6428943100003803,1.4141235190282135,1.227989111659806,1.0023388077889768,0.6877962266594557,0.4186780085418717,0.2675936974106326,3.7070105815938934,3.497694579239494,3.2321350793702357,3.0394415844706506,2.8160438422674527,2.4650533386180573,2.14271603901506,1.9554775118398187,1.5990485178960907,1.3433958076260282,1.0400462194189342,0.8517725240400154,0.6271138458293516,0.23142644098023946,0.14119015640502483,0.36133781782830504,4.916879898092706,4.91405043521527,3.3737735683240033,3.3212964518766834,3.2500142537829797,2.6983689622768625,2.1234461816578905,1.9071385032296007,1.7341182123232126,1.302798567939475,1.0416828301448289,0.997162956039689,0.6730487959065954,0.2375748517627241,0.1927401408658723,0.19590308819793467,0,0,2,0,0,0,4,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5773502691896258,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.9855985596534889,0.696923425058676,0.49279927982674443,0.20118446353109126,0.1422588984322123,0.10059223176554563,9.397341225498538,5.701907262607799,4.311297062348978,3.0376937002347044,1.393846850117352,0.8648077477548907,0.4886419420963561,0.3607022603955159,0.7831117687915449,0.5183552056916181,0.3592747551957482,0.2761539727486095,0.174230856264669,0.12354396396498438,0.08144032368272601,0.06011704339925265,7.461420286601642,3.8400999430419995,2.3593720075067033,1.4671434823186165,0.7427992798267445,0.410961712529338,0.20412414523193154,0.09269770297464955,0.6217850238834702,0.34909999482199994,0.19661433395889194,0.1333766802107833,0.09284990997834307,0.058708816075619716,0.03402069087198859,0.015449617162441592,14.651991044168536,26.53750910415149,25.474509803921578,25.91999999999999,15.51083952095808,200.5585640718563,0.5635381170834053,1.0206734270827496,0.9797888386123683,0.9969230769230766,0.59657075080608,7.713790925840627,0.8927999999999998,42.50000000000001,43.807417364775155,68.87663022441502,87.61483472955032,7.301236227462526,43.807417364775155,7.771561172376096E-16,6.47630097698008E-17,-41.74906850474615,60.65069188848883,5.054224324040736,4.926157251857203,152,0.0,0.0,4.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,30.03217750062988,-0.4724707105064241,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1180555555555554,1.17,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6996828546233305,0.0,2.0739436885865454,0.0,0.0,0.0,0.0,0.0,0.0,-0.4724707105064241,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.17524108717561,8.856936413454271,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.4284682067271355,-0.23623535525321215,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.47402777777777777,0.585,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3498414273116652,0.0,0.36854591836734674,0.0,0.0,0.0,0.0,0.0,0.0,-0.23623535525321215,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.587620543587805,4.4284682067271355,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.587620543587805,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.585,0.585,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3498414273116655,0.0,0.6684259259259261,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.587620543587805,4.4284682067271355,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,34.333333333333336,2.861111111111111,0.5875868055555555,10.587620543587805,0.32514333742756363,-0.23623535525321215,2.2325222212773994,1.902902021919879,3.5876205435878057,18.064355001259763,1.902902021919879,3.5876205435878057,18.064355001259763,5.33332,0.44444,0.0,0.05556,0.60256,0.95556,0.42632,0.60256,0.95556,0.17625,0.0,-0.17625,0.0,0.46511,0.24918,0.0,0.3125,0.1875,0.0,10.0,0.83333,7.0,0.58333,3.0,0.25,-4.0,-0.33333,0.0,0.0,8.62628,0.71886,15.16032,6.53404,0.5445,3.45164,0.28764,5.70189,2.25026,0.18752,0.21211,0.01768,0.21211,0.01768,0.0,11.04,4,4,4,4,0,0,0.75,1.4195562985716133,2.188787067802383,3.026986833359287,3.0269868333592873,3.0269868333592873,3.0269868333592873,36.90846376286194,56.908463762861956,78.70165766734146,78.70165766734146,78.70165766734146,78.70165766734146,0.30200500031793037,0.4656558107435944,0.6439795029551799,0.64397950295518,0.64397950295518,0.64397950295518,3.2808834195694794,2.5116526503387098,1.6734528847818058,1.6734528847818053,1.6734528847818053,1.6734528847818053,0.2985467685461994,0.4603236284363167,0.6366053522784736,0.6366053522784737,0.6366053522784737,0.6366053522784737,13.408324955335429,23.25369643533543,24.098455140880212,24.098455140880212,24.098455140880212,24.098455140880212,45.141144450792424,29.50442211288225,29.024677142700288,29.024677142700284,29.024677142700288,29.024677142700284,12.0,7.638888888888889,7.43801652892562,12,3,6,1.9,1.3846000000000003,0.1111111111111111,1.8365990773291463,1.0690449676496974,0.0,3.965406456500188,3.6144080144393795,0.0,0.19999999999999996,0.0,0.0,0.14285714285714285,1.0690449676496974,0.14285714285714285,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.7630000000000001,0.7480000000000002,0.989,0.12,4.946,12.0,11.0,8.0,7.0,6.0,6.0,4.0,1.0,0.0,78.0,2.6390573296152584,2.833213344056216,2.772588722239781,2.3978952727983707,2.302585092994046,2.1972245773362196,2.4849066497880004,1.9459101490553132,0.6931471805599453,0.0,4.624972813284271,1.294871794871795,0.4444444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.6363636363636364,9.0,0.8181818181818182,0,5.0,9.0,0.8,2.5,1.1111111111111116,0.375,0.2400000000000001,0.11111111111111113,0.163265306122449,0.09375,0.02469135802469135,0.0,0.0,0.22727272727272727,0.09259259259259263,0.03409090909090909,0.030000000000000013,0.015873015873015876,0.0272108843537415,0.015625,0.006172839506172837,0.0,0.0,0.4488379686891592,43.807417364775155,68.87663022441502,87.61483472955032,7.301236227462526,43.807417364775155,7.771561172376096E-16,6.47630097698008E-17,-41.74906850474615,60.65069188848883,5.054224324040736,4.926157251857203,52.60000000000001,176.81232510837782,4.584962500721156,3.8501476017100584,4.532599493153256,5.25227342804663,5.953243334287785,6.675823221634848,7.382124365737512,8.105005537547246,8.81358720447004,9.535968306842717,83.1007724934301,3.1354942159291497,0.0,4.2626798770413155,0.0,5.54907608489522,0.0,6.890609120147166,0.0,8.256607344626158,8.555451903533328,174.089208928,6.695738804923077,22.482011793048947,1.873500982754079,10.263833236299861,10.263833236299861,0.0,254.0,11.0,0.6479999999999999,46.0,1.2425999999999997,2.12523623468857,2.8917093453331866,3.664036973764612,4.871755970427546,5.899535796011882,7.163136861348488,8.200879272676204,9.523682996848434,11.024617763880746,112.02045553547994,129.1997837043064,144.799999646878,163.591442287582,187.87712154340915,247.4058523688101,396.3328233068283,349.8600526726717,258.76758942907236,133.4760174336674,295.65603352993077,351.64646332213727,444.6165419096697,546.3940708111082,618.7644261588208,758.1164940695452,879.8969621545124,903.3591563066825,1061.3890964269128,1264.9273390059905,9.893775391199998,17.025424877926408,22.624074248761282,29.291569557894707,37.68056745127145,46.656449535064915,56.79031222334826,61.51780776449161,88.61565807690027,78.46917218396607,1.9634424151367995,2.4743591435695778,3.2096736125767467,4.001321623489452,4.6774959363132576,5.529059837576112,6.586582136042549,6.727063662757806,6.943227526777511,12.276400380894328,182.34972957128306,342.34500320961786,469.580871776027,594.4202826460877,812.4069537396292,988.1425518383013,1205.717992486432,1388.0944501802558,1715.7079526289683,1688.1175595663146,4.318476666666666,7.712609716982009,9.206429306447111,12.162817243352904,13.607461718692399,18.826720007865237,38.071430879462646,25.191064344416517,48.34753426191792,22.049235527761493,0.4718979000000001,0.6174541789526038,0.7928454191460361,1.0030502357115625,1.174097018885627,1.446169398488077,1.7054026730435439,1.7923509716942372,2.2440623700418385,2.645908263331379,517.4595472294851,650.2135394040781,31.903349580551325,153.70408954797787,-193.13679807621753,-44.785242391185285,363.7554576815072,843.3503374802956,76.68859197173661,0.7709886514621449,0.9687854105535646,0.04753438331929398,0.22901134853785493,-0.2877640972975651,-0.06672775451038726,347.30003160376066,436.3996837883874,21.41236812986558,103.16059572858968,-129.6263957923887,-30.058226157228123,0.20786074386282316,0.2538311089131334,6.530403145742065,13.19259977718629,479.84696008407525,191.31667669338776,0.7149477918500187,0.28505220814998117,985.72447382008,31.39624935912059,9.952186665594834,1121.3429789651068,33.48645963617395,10.389137385229247,1722.625152429516,41.50451966267669,11.987545301061479,2.99456184216766,2.99456184216766,2184.0273989620746,2091.543486347053,112.54254195520866,1.0442180204326268,19.40623839677716,18.58446992586569,5.3774236891826215,6.621754640726306,11.954417683764847,0.8053247715100523,3.9310598632463183,5.740426546151626,7.371169674115502,19.572082410557382,9.139368362703754,2.406950290325185,4.788120360461033,7.799195139859669,9.276577509980331,1.4354366716767117,5.206903550977531,2.3156949287037523,7.910443554235179,0.6755340825980004,3.867999070706701,2.4864031574007006,3.6106838948837865,1.8723282844386375,1.5099792215484347,2.949955783412507,1.5905718208027797,0.026612178047804948,1.6869582024096943,2.364926729401711E-13,6.639214391179275E-48,3.594939729917847E-104,3.754416408942907E-182,7.56256585915494E-282,0.0,0.0,0.36292165517577546,6.042560962117457,0.7597212609615714,7.294165696284963,0.5008251369702827,2.08170856849004,0.5939785098047967,0.3598761962131596,3.4624159805323544,0.05773736836432936,3.8613103121148837,1.4037949960302774,2.016967429715748,1.1515306549241038,0.041249046126027575,2.4015237441995896,0.31551613630486824,2.4452411406752783,0.16879749903789693,0.22103079579340648,0.011373132435418718,0.002225162844142942,0.011881384554190048,1.66563723240848E-15,4.676052981433394E-50,2.531945445908375E-106,2.644266174911339E-184,5.326376970138269E-284,0.0,0.0,1.0767204686219638,5.480381955157008,1.4621308676982367,6.725189923327414,1.5681612847855284,1.7869795597672538,1.2345279680864996,1.069841593927765,3.6363470958416055,0.2276664793025672,3.436091576411449,0.9883165037700414,1.4417205696625284,0.3388146071603375,0.31981249065235146,1.9575917493267732,0.9472141947866095,1.317516177962039,0.29240598808468665,0.643247342105617,0.1171452924235043,0.007188508590685773,0.12381318765030246,1.7357224174752765E-14,4.8728077322334975E-49,2.6384823686565113E-105,2.7555292282513257E-183,5.550495468707059E-283,0.0,0.0,3.7208300480010017,6.041577028422244,8.75072269546322,20.175195768677252,8.67543133003382,2.732613471187224,5.066926792523138,7.238456808764784,10.578371227920643,1.3117367429824573,5.520827611115721,2.5526720586205864,8.018039705555054,1.1728278806147914,3.4559566854074917,2.819428711404293,3.535352991449099,2.4884559156060244,1.8965899526874905,2.7351999315319024,1.4172770084388928,0.025114070201960024,1.5030493871234072,2.1071071388381298E-13,5.915420493162521E-48,3.203026577706722E-104,3.3451174275728876E-182,6.738110027531477E-282,0.0,0.0,1.5717243775688305,5.266760495570172,1.6291496591046233,7.02019136628726,2.4340625105472538,1.6575460313427193,1.590802661284426,1.7593516691137028,3.71015699580116,0.3773610854694487,3.384686075921199,0.906465865286991,1.8286442674891665,0.16076617068395313,0.660261287421075,1.798414466101131,1.3574323111527904,0.8876394714180847,0.28953657255854676,0.9731151594191234,0.2540604499268784,0.0106000141898111,0.26893878831518575,3.770221029489547E-14,1.058438953127578E-48,5.7311362762230755E-105,5.985377695840141E-183,1.2056417852023203E-282,0.0,0.0,4.7473701523519685,5.931278022998579,10.48667214654255,26.283932769911644,12.340958517073513,2.7834159115401897,6.2261037279626406,10.875596809441685,12.005996928897725,1.9381776349086977,5.87568792012109,2.901865543329485,11.054053840724904,0.98072329106295,5.595515181280336,2.807113665028553,4.463150692617291,2.2744012885832725,2.205337986574368,3.7992525965561135,2.319197814088991,0.032164847088160496,2.4602699952293157,3.449023375298651E-13,9.682670225723886E-48,5.2428817379949996E-104,5.475463486483919E-182,1.1029291563743125E-281,0.0,0.0,2.5207534555751505,6.325486375859535,9.42031502344985,22.8987081733157,6.182586442508362,3.8432299633675013,4.212709231068429,4.317535760742266,14.84448826312438,0.6282906785501341,5.626090716369482,4.822845382930809,20.16538749425531,5.726909076049246,1.4252738810498795,6.036310083990966,2.9454724458056414,4.713644042207544,1.9025738191154762,1.8068686930488864,0.57333442361454,0.019122310510661197,0.6073049528674901,8.51373622584616E-14,2.390117180824539E-48,1.2941783027704249E-104,1.3515899072194465E-182,2.7225237092957784E-282,0.0,0.0,13.248801880708362,0.7314054731419475,0.38274785769230846,0.9224286844577166,0.05092304907796149,0.5138612149918855,0.5582747141790491,0.46152256916163936,14.362955211542618,15.041140622903885,33.11301681111676,0.8836430266865749,1.533658498332574,11.956114997487102,0.5886915296637403,0.05758488056212538,0.9487179544486827,0.04671268417385028,0.4187791891313906,0.3736099900215546,0.01044682566269307,12.602391407712968,7.76085481224722,20.768555307244934,0.923076931673024,0.8028360048156382,12.177407219818502,0.5516071892327936,0.1840012457457938,0.9430335674761368,0.042717147100172194,0.4341326892965301,0.3208247327581072,0.10666180605020129,12.91301565479709,9.05929987704881,23.208278647536257,0.9145503512142052,0.8616192281048386,13.221152662494712,0.7485769312926345,0.3539650843341751,0.9230267022299163,0.05226144148660438,0.5117324733429377,0.5894098018904627,0.39471920346754635,14.323694678121521,14.841846402032294,32.66875117850484,0.8845400533448746,1.4958614787009468,12.390266315548683,0.5571694681650858,0.25616829208833375,0.9384003219436121,0.04219828654103584,0.4494223689249692,0.3229954826932901,0.20673697246083964,13.203604075802103,10.220200605095371,25.19225687356785,0.9076004829154183,0.9791548240790989,13.404890747152093,0.7646821274710313,0.404033726386778,0.9198059968369928,0.052470342339146256,0.5260409532901587,0.610885756744229,0.5142835634425582,14.573606601009903,15.975465704891997,34.69061208908749,0.8797089952554892,1.6512102734769458,13.20843616681181,0.757825868417751,0.35844064777251194,0.92207401850547,0.05290342740006741,0.5108142194745167,0.6102707049259096,0.40476403203137196,14.324702683002073,15.015770619422915,32.928354721920314,0.8831110277582049,1.525848956431798 +UMLCN0376,L,dimethyl azelate,COC(=O)CCCCCCCC(=O)OC,Esters,,C11H20O4,BioCompoundML (2016),Unknown,PubChem,,24,0,-1.348,1.8171040000000003,47.6332,35.90385999999997,0,0,35,15,20,0,11,0,4,0,0,0.0,0.0,0.0,0.0,0.0,2631.098614999998,2549.238662,3027.9382950000004,2823.711013999999,2387.8166109999993,2106.490697999997,1909.733968999997,1712.9772399999974,1516.220510999998,6145.923915718657,7499.244553859935,9564.147397705385,10048.729628911196,9387.500529039298,8261.625333502521,7254.826988547396,6248.028643592273,5241.2302986371515,270.72182000000015,262.88007200000004,478.16434799999996,571.0688720000003,573.4137400000004,534.3233999999999,471.4384999999997,408.55359999999985,345.66869999999994,42.14297409698003,52.61812620000001,71.91168435903698,78.70242290437594,74.66499920097992,67.77021728377203,58.74868842437608,49.72715956498006,40.70563070558405,5834.896100684981,4996.865773468,9927.891562528339,12447.589112748177,12385.543151908081,12014.494160983575,10535.539005944978,9056.583850906381,7577.628695867786,171.80555555555554,100.5,180.08333333333331,192.16666666666663,200.91666666666666,158.66666666666669,146.41666666666669,134.16666666666669,121.94444444444446,75.17424614285709,74.97760770588236,48.837714435483875,37.154092289473674,31.837554813333323,29.256815249999956,30.313237603174553,31.721800740740694,33.69378913333329,175.59782616339018,220.5660162899981,154.26044189847394,132.22012669619994,125.16667372052397,114.74479629864612,115.15598394519675,115.70423414059763,116.47178441415892,7.7349091428571475,7.731766823529413,7.7123281935483865,7.514064105263162,7.645516533333339,7.421158333333332,7.483150793650789,7.565807407407404,7.681526666666666,1.2040849741994295,1.547591947058824,1.159865876758661,1.0355581961102096,0.9955333226797323,0.941253017830167,0.9325188638789853,0.9208733252774086,0.9045695712352011,166.71131716242803,146.96664039611764,160.12728326658612,163.78406727300234,165.1405753587744,166.8679744581052,167.2307778721425,167.7145157575256,168.3917487970619,4.908730158730158,2.9558823529411766,2.904569892473118,2.528508771929824,2.678888888888889,2.203703703703704,2.3240740740740744,2.484567901234568,2.709876543209877,0.5295611346630609,-0.3034423952100787,0.07060877621036157,0.028413890932321197,-0.0731565751691443,0.011592335618102509,0.013778434843097294,0.048014005636573355,0.01077126296146128,1294.648879885715,12.505072339590924,-73.45375799755172,-53.48953666612283,-613.6835398693884,-8.434592336326428,-28.78397110857119,-49.13334988081601,-69.482728653061,1649.1300985402079,-193.9822520607725,-259.49748684695874,-85.80657108443705,-483.01353917816243,26.534247863076445,21.360459178972775,16.186670494869105,11.012881810765435,3.7634701714285725,-0.02888965224489737,1.0789073534693874,-0.5221775151020436,-1.5184216816326501,-0.38995235265306505,-0.5162005942857169,-0.6424488359183687,-0.7686970775510202,7.31504209413428,-1.6195965326527173,-0.7970982970305827,-0.7009168398527335,-0.9396655484168988,-0.015114014036820445,-0.015234342400003209,-0.015354670763186862,-0.015474999126370292,41.35276825613419,-10.148673502653194,-3.1500093937308344,-4.621321765624237,-3.6240656733169065,-0.5096903783795922,-0.529383047657055,-0.5490757169345196,-0.5687683862119824,72.90952380952376,1.5799546485260785,18.519795918367354,-4.920997732426308,-32.615646258503425,-7.699591836734676,-10.079999999999979,-12.460408163265285,-14.813038548752813,0.01513031813323031,-0.008924776329708197,0.0011388512291993801,3.738669859515947E-4,-9.754210022552573E-4,1.6100466136253485E-4,2.1870531496979832E-4,8.891482525291363E-4,2.3936139914358402E-4,36.98996799673471,0.367796245282086,-1.184738032218576,-0.7038096929753004,-8.182447198258512,-0.1171471157823115,-0.4568884302947808,-0.909876849644741,-1.544060636734689,47.11800281543451,-5.705360354728604,-4.18544333624127,-1.1290338300583822,-6.440180522375499,0.36853122032050617,0.3390549076027425,0.2997531573123908,0.24473070690589857,0.1075277191836735,-8.496956542616874E-4,0.017401731507570763,-0.0068707567776584684,-0.02024562242176867,-0.005416004897959237,-0.00819366022675741,-0.011897200665154975,-0.01708215727891156,0.20900120268955086,-0.047635192136844626,-0.01285642414565456,-0.009222589998062282,-0.012528873978891984,-2.0991686162250619E-4,-2.4181495873020967E-4,-2.843457548738308E-4,-3.438888694748954E-4,1.1815076644609768,-0.29849039713685865,-0.05080660312469088,-0.06080686533716101,-0.04832087564422542,-0.007079033033049891,-0.008402905518365953,-0.010168068832120734,-0.012639297471377388,2.083129251700679,0.04646925436841407,0.2987063857801186,-0.06474997016350405,-0.43487528344671234,-0.10693877551020384,-0.15999999999999967,-0.2307482993197275,-0.3291786344167292,-0.58986045442805,0.07526948337577594,0.024709790148462293,-0.06446797705548347,0.010641194715458404,0.014454773061873809,0.05876599848725744,0.015819984552597147,0.009943134995806246,-0.032028630906713915,-0.01902704249534439,-0.22120719863777163,-0.003166996948811977,-0.012351684930765893,-0.024597935573371147,-0.0417426864730186,-0.1210866338515454,-0.08882896315949619,-0.02396183544707763,-0.13668195037048303,0.007821452487366164,0.007195867552596644,0.006361754306237281,0.005193995761334175,-0.007902108039790925,0.16183484258459896,-0.06389754037209869,-0.18828282209897992,-0.05036845326094834,-0.07620044662866332,-0.1106431044522833,-0.15886282540535124,-0.22791826804748896,-0.06151363714758817,-0.0441269709426575,-0.059946420487839484,-0.0010043811180087583,-0.0011570027139480158,-0.0013604981752004378,-0.001645391820953805,-0.2526351763219707,-0.04300150109298672,-0.05146548530000616,-0.040897640445075066,-0.005991525274006125,-0.007112019474033202,-0.008606011740735997,-0.010697600914119879,0.022307427314208324,0.14339311184663792,-0.03108303054678042,-0.20876058607101677,-0.05133564104238774,-0.07680752400235114,-0.1107700346156357,-0.15802122415015094,1.575538754814871,0.9746712482255004,0.8920252162781059,0.9400197957095466,0.7199399384673326,0.8063553769578667,0.8860192126846065,1.1016922550969221,0.9719797711570133,1.016982307641466,0.9546296759779583,1.1978630650833797,0.9135461585700919,0.9431184959253133,0.9825482790656084,1.0377499754620214,1.4277952722848501,1.154223176426502,1.0346569123237928,1.1077997121825258,0.9533448210917447,0.9421897589963032,0.9273163428690478,0.9064935602908899,0.720226779151302,0.7816758662750166,0.8725753956056131,1.1924653530502525,0.8116504699634254,0.92079877674261,1.0663298524481897,1.270073358436001,1.684818035206205,1.1733565243098412,1.0659575313485898,1.0368772947042995,0.9466007895385973,0.9333273579657815,0.915629449202027,0.8908523769327714,1.7253036515011688,1.1624219400094513,1.0675776826848533,1.02088383576374,0.9385501844093582,0.9299347160605796,0.9184474249288755,0.9023652173444884,0.5326236039448766,0.5210710129691004,0.9127209883503097,1.4466636187490487,0.8042057634670794,0.9153912582819911,1.0636385847018732,1.2708969828034562,130.19605612013373,65.59802806006685,106.8024339643011,131.06272278680038,8.737514852453359,65.59802806006685,0.9999999999999574,3.3306690738754696E-16,2.2204460492503132E-17,-53.45728242151349,2000053.001314439,133336.86675429594,21.763026358245455,130.21967283234554,65.60836757437019,106.81483999600587,131.0837935065544,8.738919567103629,65.60836757437019,0.997062316394846,1.1102230246251565E-16,7.401486830834377E-18,-55.10520085451565,2000053.0031598622,133336.86687732415,21.763026359629485,151.40938137725448,74.90670173251112,118.00699145413623,150.0262005199865,10.001746701332435,74.90670173251112,-1.595977912232243,4.996003610813204E-16,3.3306690738754695E-17,-52.84908475935124,2000054.7728843973,133336.98485895983,21.763027686887124,130.24445982261642,65.61921951174611,106.82786094726174,131.10590846337544,8.740393897558363,65.61921951174611,0.993979200875799,5.551115123125783E-17,3.7007434154171884E-18,-56.14492162535557,2000053.0050970276,133336.8670064685,21.763026361082318,174.28396922265947,84.97739608265135,130.22390947483584,170.53201577295027,11.368801051530017,84.97739608265135,-4.329177057356759,1.1102230246251565E-16,7.401486830834377E-18,-55.10520085451565,2000056.9484543346,133337.12989695565,21.763029318519003,132.67334674891111,66.68294174621217,108.1046027840794,133.27354525995588,8.884903017330394,66.68294174621217,0.6925367435132017,9.43689570931383E-16,6.29126380620922E-17,-51.895101609271244,2000053.1963972952,133336.87975981968,21.76302650455371,136.40585849989805,68.5020904121663,114.64002200078687,137.38992630688418,9.159328420458946,68.5020904121663,2.4780663780664156,2.7755575615628914E-16,1.850371707708594E-17,-53.73076475670442,2000051.59808511,133336.773205674,21.763025305850977,0,11.996233052971405,15.999288448515289,-0.34961319584966777,0.2622784281120026,4.03298876953125,7.505366021749269,14.0,34.0,32.0,32.0,12.0,2.0,2.0,0.0,0.0,2.0,27.61213999999999,3.582360547917985,3.5111643188385675,3.28468240829501,2.964966550255817,2.7077159953004006,2.570444262394997,2.3297668007860213,1.933951999989696,1.9094835708505609,1.7346431525274988,1.5190287174744628,1.4302242254607072,1.35207816526638,1.1167483573641666,0.8557360720732354,0.6571570440484914,3.5535694942673675,3.4091443727530932,3.172250589994703,2.8935712195608714,2.6900441558922856,2.5282946071936374,2.2558845572320685,1.9033195221772685,1.865083417185463,1.7267400076363566,1.5466205251467142,1.4044008261622034,1.2760056061035607,1.074653738614723,0.8314765488133984,0.6217574359791824,3.693669608021101,3.591339822558262,3.394489177786775,3.148027965099905,2.9542623842498235,2.7945689010711665,2.5522805873856704,2.2537700942260845,1.685082760503512,1.5178362189495165,1.2815682239802864,1.080552466287422,0.9530731887429333,0.7619730852819446,0.47363051459699274,0.19937958789083793,3.5638240449451737,3.3978541890095197,3.1455561906392306,2.880758769832412,2.709748338438286,2.542573416103866,2.2505261797686527,1.9125628823435918,1.8423452488519183,1.733240437230697,1.5633342433249267,1.3832349082778193,1.2280803263273654,1.0497375318790103,0.8210610279635591,0.5959718082370862,3.735587900442598,3.608596839520414,3.4123574572507396,3.205495256390802,3.043816707296455,2.8662477846074568,2.615769835136377,2.3533195907553863,1.637886409358812,1.485650632055254,1.2565295156094558,1.022829743886398,0.8611586478154784,0.6853111972515142,0.40827556616821836,0.10726732100022905,5.014371438666109,5.014305342970318,3.4946416010008345,3.3787260177562977,3.3544564464707882,3.162339342199412,2.7599398794081424,2.3399904970784906,1.7969481184011395,1.5716273110938654,1.2487612956982346,1.0232665140825834,0.9819168013939517,0.8157824995223251,0.49222235879511256,0.24435969231812066,0,0,2,0,0,0,7,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5773502691896258,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.9855985596534889,0.696923425058676,0.49279927982674443,0.20118446353109126,0.1422588984322123,0.10059223176554563,11.518661569058182,7.201907262607799,5.3719572341288,3.7876937002347044,1.924176936007263,1.2355985596534889,0.7853117727069945,0.4927992798267445,0.7679107712705454,0.5144219473291285,0.35813048227525335,0.2705495500167646,0.17492517600066027,0.12355985596534888,0.0872568636341105,0.06159990997834306,9.582740630161286,5.3400999430419995,3.4200321792865247,2.2171434823186167,1.2731293657166551,0.7752384078259749,0.4597879875616907,0.26261920391298743,0.6388493753440857,0.3814357102172857,0.22800214528576832,0.15836739159418692,0.11573903324696865,0.07752384078259748,0.05108755417352119,0.03282740048912343,19.27747445552614,35.201019664967234,33.65098039215687,34.19999999999999,20.90650299401199,269.6433293413174,0.550784984443604,1.0057434189990637,0.9614565826330533,0.9771428571428569,0.5973286569717712,7.704095124037639,2.0631000000000004,56.35100000000004,71.16374626706455,113.27149710017409,142.3274925341291,9.488499502275273,71.16374626706455,1.6653345369377348E-16,1.1102230246251566E-17,-54.49700319235341,2000053.8191785498,133336.92127857,21.763026971627156,258,0.0,0.0,4.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,30.538460411942552,-0.29710969856262004,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.967665816326531,1.0883680555555557,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.802962558225004,0.0,5.789020061728396,0.0,0.0,0.0,0.0,0.0,0.0,-0.29710969856262004,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.490851838056926,9.04760857388563,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.523804286942815,-0.14855484928131002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.34500000000000003,0.5441840277777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.401481279112502,0.0,0.4935532407407406,0.0,0.0,0.0,0.0,0.0,0.0,-0.14855484928131002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.745425919028463,4.523804286942815,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.745425919028463,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5441840277777779,0.5441840277777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.401481279112502,0.0,1.049591836734694,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.745425919028463,4.523804286942815,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,38.833333333333336,2.588888888888889,0.5735938934802571,10.745425919028463,0.28813171786927194,-0.14855484928131002,4.043079962403618,1.8152215159479768,3.7454259190284622,19.07692082388511,1.8152215159479768,3.7454259190284622,19.07692082388511,6.83332,0.45555,0.0,0.04445,0.55905,0.90445,0.42766,0.55905,0.90445,0.13139,0.0,-0.13139,0.0,0.50368,0.21061,0.0,0.2439,0.14634,0.0,11.5,0.76667,8.5,0.56667,3.0,0.2,-5.5,-0.36667,0.0,0.0,13.10003,0.87334,20.11658,7.01656,0.46777,4.95164,0.33011,7.20189,2.25026,0.15002,0.21211,0.01414,0.21211,0.01414,0.0,14.04,4,4,4,4,0,0,0.8181818181818182,1.3437884540090375,2.0421915205968504,3.029741775363137,3.385867302411998,3.543289445392768,3.4290037311070543,47.03259589031631,71.47670322088976,106.04096213770978,118.50535558441993,124.01513058874689,120.0151305887469,0.2619836826257652,0.3981436613753461,0.5906754931155408,0.6601053775403959,0.6907962445603506,0.6685152134867751,3.785494562935929,3.087091496348116,2.0995412415818295,1.7434157145329685,1.5859935715521982,1.700279285837912,0.2599241678813804,0.3950137613267344,0.5860320554974967,0.654916135430863,0.6853657343973572,0.6632598596982406,12.482979808319332,21.320378278230233,23.840350262417296,25.064468352852394,25.223122329139496,23.85169375771093,55.30863743323901,37.303648498177076,33.55651856137765,30.68262591228277,29.96805796242112,32.888217528517075,15.0,10.515555555555556,10.285714285714286,15,3,9,2.23,1.807300000000001,0.08333333333333334,2.482449708330987,0.894427190999916,0.0,9.333258269463991,4.141993257674248,0.0,0.12499999999999997,0.0,0.0,0.09999999999999998,0.894427190999916,0.09999999999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.7630000000000001,0.7480000000000002,0.989,0.12,6.443,15.0,14.0,11.0,10.0,9.0,8.0,7.0,6.0,6.0,115.0,2.833213344056216,2.995732273553991,2.9444389791664403,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,2.4849066497880004,4.962844630259907,1.2347826086956522,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.7142857142857143,12.0,0.8571428571428571,0,6.0,12.0,1.0,2.5,1.1111111111111116,0.375,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.049382716049382706,0.08000000000000003,0.049586776859504134,0.17857142857142858,0.07407407407407411,0.026785714285714284,0.021818181818181827,0.01666666666666667,0.013605442176870746,0.01171875,0.007054673721340387,0.013333333333333338,0.008264462809917356,0.37536494967974954,71.16374626706455,113.27149710017409,142.3274925341291,9.488499502275273,71.16374626706455,1.6653345369377348E-16,1.1102230246251566E-17,-54.49700319235341,2000053.8191785498,133336.92127857,21.763026971627156,52.60000000000001,228.70027898597786,4.906890595608519,4.07753744390572,4.762173934797756,5.476463551931511,6.175867270105761,6.892641641172089,7.5953872788539725,8.312626025674962,9.016391478941248,9.733588515740731,91.04267714112375,3.367295829986474,0.0,4.48863636973214,0.0,5.75890177387728,0.0,7.084226422097916,0.0,8.435766192720509,8.740016691519521,216.13615912,6.175318832,28.481452145534234,1.898763476368949,10.270129323776157,10.270129323776157,0.0,516.0,14.0,2.355,58.0,1.2444705882352938,2.135600832490125,2.8867552323634347,3.6501793138593994,4.90544195829067,5.935792004238088,7.237936787125015,8.349428517482625,9.626508605195175,10.754619309729739,104.13250855588228,114.21417896704085,120.840781622009,141.8550641468719,166.21521314000626,208.7107942345916,255.74820322751242,312.06504136322036,381.49663267434005,581.4420173975669,296.84296136656724,351.33956273699965,413.8012600793783,523.6232579722573,618.3026443780775,755.2812290361455,898.2793378281727,1041.377319160176,1191.1234950289497,1301.0892537534623,9.68613379058824,16.563724145562283,21.751388590825517,27.94285851299054,36.60487155850711,44.67553640936676,55.009472382205004,64.4259118258269,75.93323878234683,85.02655119727754,2.0371998053117637,2.5973832880817933,3.1664136190130363,4.0496349175057,4.932305296526753,5.954583057534267,7.003767798739632,7.933522186114861,8.775267580046895,9.801570702125177,181.19467723188336,338.6466754528489,469.33664369832627,589.2068381722968,809.5933992140219,979.130372244357,1203.7117750147902,1393.5407745789455,1621.2053161345063,1811.9796569823975,3.7723284313725487,6.46080078328932,7.362314316199231,9.668522164953986,11.114774430045703,14.13890944384269,18.342468420827846,23.010632324522874,30.429537825427943,55.996509454630605,0.46971264705882365,0.615470293161144,0.7446750235293588,0.958078500051935,1.1616092064374044,1.421821475628627,1.7090291515033402,1.990022196339879,2.298856244814109,2.534846663237832,587.3073620949106,831.6714934841367,33.42281451476778,149.22309032025328,-211.3111437021414,-42.71569581419388,438.0842717746573,1042.9826371862782,76.13851032896166,0.7973972565140593,1.129174619673898,0.04537872725448176,0.20260274348594068,-0.286900756118405,-0.057995831230228764,432.5697571105209,612.5513813566662,24.616920695550014,109.907350224365,-155.6370922713039,-31.46141076325674,0.18444437640279654,0.22523614291686794,5.794726380225784,11.706407073517012,550.0092614640944,186.52119095106943,0.7467569869793623,0.25324301302063756,1171.9691812585297,34.23403542176309,10.543190746216656,1365.709902894282,36.95551248317742,11.094800212852274,2069.7946797860513,45.494996206023046,12.744097598205633,3.63552913837342,3.63552913837342,4828.494287483681,4720.570109703973,137.97050637641678,1.0228625304299264,34.99656857321655,34.21434213501486,6.526618921966746,7.824183867534373,15.642670974092736,0.9992719034889188,5.6044631838626735,8.585978469281521,8.260167193496118,34.49071570289838,15.063917308751764,2.4069972120272416,7.171030057027487,8.193078443319,22.593943281981847,1.567805457887749,5.206170064175305,13.95694465368161,7.673314997731534,14.253941371729006,4.080180617102061,7.192165643250485,6.376250018826238,3.566646373360655,1.6665988931937474,3.2455374257810097,10.59786899606754,4.928374457297665,2.5534614870595855,0.028007016648728414,2.5872150595751964,0.0023171662883317754,0.9521357175309803,0.1588824633914786,3.808848556400168,2.025736350201769,0.5033588000617029,8.887986569187325,0.8260720572852908,10.334343493961589,0.5430241693729778,2.0817551062146737,0.9616555032125286,0.3626514150565251,6.701577373871464,0.05866921360982688,3.8567490769495736,2.303755262717576,0.35295867331616726,4.120328122434397,0.04271462786370632,4.2924670738970345,1.7899484560857006,0.24773940580315604,1.890446067928779,0.02799799467328544,5.84543647624401,0.26608241832807106,2.7634204955165482,0.006552689071263418,0.305835421836321,0.0012719578284597491,0.08557069981711288,0.1419309211594753,0.3193958167367379,0.014267426749817362,1.5300686916536264,8.32581623915239,1.6817598380168577,10.5688047855994,2.0042021879153418,1.7870261231499835,2.0135154625531175,1.0987531390778384,8.145433381933673,0.23738127987266514,3.431883139337314,3.852349965175905,1.0836017589806886,5.148490581108838,0.3353726978165188,3.656011877489041,1.8355783482130188,0.6248075042022514,1.0758001390849457,0.2514082137220034,4.297975895693255,0.9536794171024771,1.4624156784379287,0.008035793836684457,0.5085111960101953,7.836339734265458E-4,0.24107893827930493,0.14306368328606794,1.0312162947819494,0.14867758697351954,5.300386277803695,8.887115166727641,9.58417867288449,33.79310850767482,13.954422743473868,2.732660350731912,7.326450720965138,7.5894004751272774,22.984127956255023,1.4296730555048793,5.521197496807857,13.466778528674192,7.225203848447678,14.584448094529126,3.6449917868823385,7.516726908199331,6.777193880275636,3.2595920359718065,2.197843071991716,2.895254200834105,11.331495553288738,4.552316549698863,3.4549159726138448,0.031381676412464095,3.2492510353297988,0.0025084466714361993,0.9644638356977613,0.15702134190295358,3.5950671338873272,1.8048946175996767,2.2398762460524932,8.112205815388284,1.9583466729967918,11.896711080118688,3.3800402591585055,1.6575926279925541,2.6521542296417064,1.822148784727359,9.328846541343694,0.39846385382732946,3.3804694588950985,5.1872134637318785,1.7436805402006634,5.97659057816086,0.6940791616858617,3.6078711984988874,2.0410485662938394,0.9728063158379854,0.788673793535783,0.5334453378638453,4.249866523829921,1.5035868850398018,1.1453331839970782,0.008942485699058646,0.5009914686921537,6.740081277934653E-4,0.3356840216032039,0.14453234489533173,1.5199927136874625,0.3229475861899717,6.768247009221052,8.776887856545324,11.58719615555251,46.66974907517672,20.979816987319182,2.783463010508311,9.065872039588976,11.45003511272577,28.951004576320987,2.1312246344742185,5.87693897879371,17.354060340946052,10.707611583776902,17.916790736921154,5.904969846072451,8.858406278443972,8.367653024649544,4.830778621850364,2.0800504996831366,4.716547999571863,13.657512370833999,6.437310461572635,3.290576823624789,0.03686343779507327,3.774061877463203,0.0031451786381662913,1.2039243357376281,0.16670822225811882,4.600566183471118,2.9543460848794525,3.6191050842326415,9.121054255927481,10.442886978846214,31.294466050139288,8.789414048187947,4.061799312670247,5.8643713557748685,4.7128979468862795,22.91469016800892,0.7143660914983908,5.94575292194652,11.256398910508194,5.101236066536258,16.26498058084873,1.586972851307728,7.599512038602876,9.85610231343529,1.7015669820752306,8.067302188861758,1.2475464882144327,17.173991547850143,2.46323723733081,8.480731408245425,0.056659394963109753,4.4736140760579985,0.0031084775533325943,0.8438903607614583,0.22231415521861078,2.897045296112017,0.7707317269196962,21.121836035929196,0.8099844909656788,0.42590058000000014,0.9447222252636228,0.036228401235217506,0.5074158103685366,0.5500317324451379,0.5142719026079412,22.357721106894875,26.449134692683074,56.093316080249984,0.9170833378954342,1.5717194454216157,21.76966013276085,0.5825479381718965,0.06947466657295977,0.9709199968450991,0.02598145487079985,0.5390189271754066,0.28450691607963136,0.013684510793992808,22.421682737505705,14.234782827940242,37.53753429864221,0.9563799952676486,0.8372103540490307,20.55897965257073,0.5911230054296004,0.20948717050233834,0.9625175304226307,0.027674829440816034,0.48073279147510567,0.2929478562323727,0.12442028617505767,21.35958982850267,16.583561002452086,40.489024499180545,0.9437762956339459,0.898100933882536,21.465182776266136,0.8182617983046541,0.3997196480271461,0.9463046057252279,0.03607352970135739,0.5240464894203921,0.561331166619866,0.4529886565209841,22.683164222597938,26.471269681625472,56.17516538696486,0.9194569085878418,1.5383663125612421,20.19507328693192,0.6199140012985564,0.2846881837298394,0.9571271991253828,0.029380262370498053,0.46386494360111447,0.3221786778152305,0.22978158326690037,21.099675471960317,18.444989613265587,43.10873586829608,0.9356907986880744,1.0158252046832454,21.31654665640369,0.845629767874752,0.4501521296127199,0.942695777907203,0.037396845966543975,0.516814099471863,0.5995079605513878,0.5745065074425257,22.612328553891164,28.002257315187727,58.728986023664284,0.9140436668608045,1.6908285674657764,21.40028972225811,0.8321062834069339,0.4036419045949898,0.9454079290332957,0.03676024429300733,0.5208827032684268,0.5804865555631713,0.46192219220395825,22.636037910260033,26.781242212056483,56.605058884470814,0.9181118935499437,1.5632914510355562 +UMLCN0377,L,dimethyl malonate,COC(=O)CC(=O)OC,Esters,,C5H8O4,BioCompoundML (2016),Unknown,PubChem,,15,0,0.057199999999999473,0.00327183999999994,28.525999999999996,17.342343999999997,0,0,17,9,8,0,5,0,4,0,0,0.0,0.0,0.0,0.0,0.0,1753.321120999999,1538.3688799999995,1865.687072999999,1643.1706399999994,1530.2330779999995,853.4912520000001,337.78802499999983,72.642528,9.144576,3231.81757205152,3581.3037469177375,4082.864727731377,4007.939559180433,3352.044858814075,2272.342639697562,1407.680469254931,688.4196982231118,279.75369987837234,144.857156,132.225392,221.7873000000001,193.75947200000007,196.49122400000005,163.46289600000006,121.19453200000004,42.705792,60.46617599999999,20.07421923879199,22.522194480000003,25.785543489942988,24.573249748000002,22.494667016,17.373980718187997,9.206115832000002,6.68126586,4.001516143641,2855.1181398539925,2398.6290643732004,4382.678368733244,3573.8581825166,3637.7249926959003,3751.1204242283884,2349.0056764437995,918.7352862774,1664.258868218241,146.30555555555554,69.0,124.6111111111111,121.00000000000001,175.91666666666669,63.99999999999999,67.0,12.0,9.0,103.13653652941171,96.14805499999997,71.75719511538458,74.68957454545452,69.55604899999997,38.79505690909092,25.983694230769217,12.107088,1.016064,190.1069160030306,223.8314841823586,157.0332587588991,182.17907087183787,152.36567540063976,103.28830180443464,108.28311301961008,114.73661637051863,31.08374443093026,8.521009176470589,8.264087,8.530280769230773,8.80724872727273,8.931419272727275,7.430131636363639,9.322656307692311,7.117632,6.718463999999999,1.1808364258112936,1.4076371550000002,0.9917516726901149,1.1169658976363637,1.0224848643636364,0.7897263962812726,0.7081627563076924,1.11354431,0.444612904849,167.94812587376427,149.91431652332503,168.5645526435863,162.4480992053,165.35113603163182,170.5054738285631,180.69274434183075,153.1225477129,184.917652024249,8.606209150326796,4.3125,4.792735042735043,5.500000000000001,7.996212121212122,2.9090909090909087,5.153846153846154,2.0,1.0,0.5305703418295384,-0.25492467102665406,0.09684301076979566,-0.35411756975695385,0.3274835385156179,0.0639472346870374,-0.18467347342745702,0.0145735899434415,0.025583169380403573,726.593284235294,15.84087695501728,200.4648127577854,-371.98448359861607,-313.9030638339101,516.4142295778547,-649.7862286505192,-172.04359490657436,411.7008095813149,727.3166090252414,-170.35984800519847,292.46661278294135,-194.61850577472134,-486.2793369396472,271.2580078986849,-131.31982799169361,-332.3927881732558,387.58738169026947,3.1487604705882344,-0.27630726643598635,0.22130163321799373,-2.1704373148788894,1.4505650380622859,0.8625518615916911,-2.6962483598615883,0.2500318339100332,0.7841623391003428,3.288849485007531,-1.6315395064579095,1.1667582463776016,-0.6881790630488029,-0.7730538247890383,-0.5628164437238616,1.2092392666878886,-1.3264546549438336,0.96162123739419,19.40403004060751,-10.543717573469664,6.177235366783476,-4.442761170389977,-0.9719022534302062,-5.836057180265044,8.499073572040817,-6.7832175612732355,4.1993317797000635,62.10784313725489,-3.088427527873893,7.838331410995771,-34.12975778546713,8.175797770088428,19.402921953094967,-44.42723952326029,1.6580161476355257,13.51643598615917,0.031210020107619908,-0.01593279193916588,0.0037247311834536796,-0.016096253170770628,0.014885615387073541,0.0029066924857744274,-0.014205651802112078,0.00242893165724025,0.0028425743756003968,42.74078142560553,0.99005480968858,7.7101851060686695,-16.908385618118913,-14.26832108335955,23.47337407172067,-49.98355605003994,-28.67393248442906,45.74453439792388,42.78332994266126,-10.647490500324905,11.248715876266974,-8.846295717032788,-22.10360622452942,12.329909449940224,-10.101525230130278,-55.398798028875966,43.065264632252166,0.18522120415224907,-0.017269204152249147,0.008511601277615143,-0.09865624158540406,0.06593477445737662,0.03920690279962232,-0.20740371998935295,0.041671972318338864,0.08712914878892698,0.1934617344122077,-0.10197121915361934,0.044875317168369296,-0.03128086650221831,-0.03513881021768356,-0.025582565623811893,0.09301840512983758,-0.22107577582397228,0.10684680415491,1.1414135318004417,-0.658982348341854,0.2375859756455183,-0.20194368956318076,-0.044177375155918464,-0.2652753263756838,0.653774890156986,-1.130536260212206,0.4665924199666737,3.6534025374855816,-0.1930267204921183,0.3014742850382989,-1.5513526266121422,0.37162717136765583,0.8819509978679531,-3.4174799633277146,0.27633602460592094,1.5018262206843522,-0.5105024567182479,0.11934408150362866,-0.5157399167083759,0.47694988134401195,0.09313331025585467,-0.4551631736579297,0.07782537944111186,0.09107890241013923,0.02316417193756427,0.1803941071945302,-0.3956030997596428,-0.33383388434755096,0.5492032033288476,-1.1694581704604805,-0.6708799307831752,1.0702783821944544,-0.24887007426945965,0.2629228695228408,-0.2067696864383558,-0.5166406227414495,0.2881942444981473,-0.23610890605449517,-1.2948687748971879,1.006589825756171,-0.09323556787836298,0.045953708791455286,-0.5326401047706725,0.35597854338091456,0.21167610360309952,-1.1197622914645895,0.2249848904128985,0.4704059083716361,-0.527087278853553,0.2319596549917915,-0.16169019985920505,-0.18163183703715544,-0.13223579175250894,0.4808103546288066,-1.1427364511936375,0.5522890843480819,-0.5773388259226164,0.208150656204991,-0.17692421189771515,-0.038704092710583164,-0.23240948086294727,0.5727765371116069,-0.9904703498905624,0.40878472785466335,-0.052834780320968146,0.08251877036407425,-0.4246322738035446,0.10172083901365672,0.24140537179211222,-0.9354238763078545,0.07563799000263094,0.4110760326229941,1.5006941809541796,1.0532180530960564,1.8413109743399003,0.5088043459038101,0.5093967218586072,1.6685010234663928,9.075821535849386E-4,0.0,0.732151644588734,0.8030145142957646,1.3110556159636872,1.2807167773838117,0.3953756884807244,2.284008467384964,1.3329714064441585,0.0,1.3802182776884506,0.6510709868932342,1.1124501822187918,1.3758958296387873,0.7442346842486945,0.8472595200209576,2.47625213719171,0.0,0.8156403206879094,0.9927993614679065,1.6297128094245348,0.808886725187683,0.3972878773477059,2.64507072914639,0.060254821467749124,0.0,1.911297299572712,0.6688407433457169,1.1836509692619466,1.1248950007331384,1.0008740968104308,0.04104707697243164,2.4480884015808235,0.0,1.9864227101603276,0.6993931358698007,1.2398260819171683,1.0245563023720718,1.0314149130223356,1.4630468724902208E-4,2.253928767171846,0.0,0.6011049723756907,0.6564264464816952,1.673205615747053,1.4416110592906177,0.3347061778001005,2.511760063141279,0.12880820836621945,0.0,35.49584483374209,18.247922416871045,28.583579034377358,36.27362261151987,4.030402512391096,18.24792247111392,1.0,5.551115123125783E-17,6.1679056923619804E-18,-33.686952975213345,2000018.407440436,222224.26749338178,13.057800247981875,35.516661895340036,18.25686210586741,28.595605359732957,36.29215480809153,4.032461645343503,18.256862159591677,0.9970623163947785,3.885780586188048E-16,4.3175339846533866E-17,-31.93563384106356,2000018.4096479544,222224.2677386616,13.05780024897525,54.0062942849885,26.2051581863782,39.454373627068385,52.7649781310302,5.862775347892245,26.20515818639039,-1.595977912232101,2.7755575615628914E-16,3.0839528461809905E-17,-32.23845885402265,2000020.7982915787,222224.53314350874,13.057801323854346,35.53850999272374,18.26624459679974,28.608227897829344,36.311604926738205,4.034622769637578,18.266244649985072,0.9939792008757422,1.4432899320127035E-15,1.603655480014115E-16,-30.754666090994007,2000018.411966238,222224.26799624867,13.057800250018467,73.61753383494244,34.644178388792895,51.241634001697314,70.25039612366503,7.805599569296117,34.644178388792895,-4.329177057356645,6.661338147750939E-16,7.401486830834377E-17,-31.450536990404142,2000023.9287635807,222224.8809737312,13.057802732550993,37.676855648806786,19.184696196159994,29.8463995384069,38.21549533820594,4.246166148689548,19.18469621603106,0.6925367435132017,3.885780586188048E-16,4.3175339846533866E-17,-31.93563384106356,2000018.6457828702,222224.29397587446,13.057800355234978,32.86239166311729,17.07393844798149,28.274493266332932,33.609816931236345,3.7344241034707055,17.073938698616768,2.4212698412698543,6.661338147750939E-16,7.401486830834377E-17,-31.450536990404142,2000017.4577200094,222224.16196888994,13.057799820611516,0,11.996400464948113,15.999283225137242,-0.34923146303870733,0.27212664490380933,3.898406249999997,6.548256687654108,8.0,16.0,14.0,14.0,6.0,2.0,2.0,0.0,0.0,2.0,14.493656,3.594176662838792,3.191357590517657,2.6951550811824134,2.515376341588265,1.7803813965673874,1.0904172323277306,1.0848026014752057,0.08392307051869169,1.6454237936087992,1.437435277711502,1.3415618932562425,0.611734869321436,0.3356259672793528,0.08392307051869102,0.08392307051869116,0.0839230705186912,3.4373022497879524,2.960931567813848,2.6612973241198348,2.3909959894335975,1.6436145194082288,0.6343418107751022,0.6340998585054494,0.2709139018929373,1.72261959267589,1.4447437170867767,1.2717247271037937,0.8410135402091289,0.41054361942219997,0.2709139018929368,0.27091390189293707,0.27091390189293707,3.6440031260385997,3.2700346410305507,2.945002599769595,2.6958107093690056,2.065822978072213,1.2560466481271082,1.255858950598376,0.9439184268026224,1.495688287102913,1.102470051681422,0.9331437531805579,0.5141779555852233,0.06730680386732768,0.9439184268026215,0.9439184268026217,0.9439184268026218,3.3968804011393425,2.9106368220548267,2.680207508814997,2.3557511524741326,1.6227127506182835,0.4651450157401904,0.46514341581370117,0.39927724550898225,1.765167291414533,1.4651510294522176,1.2278587196866222,0.9066256733917847,0.4128845323510444,0.39927724550898164,0.3992772455089819,0.39927724550898197,3.63467653564658,3.2764130577543376,3.033459397829926,2.715766466168812,2.1437517053362,1.2090580278561893,1.2090580278398395,1.2076448229620886,1.4937950374999875,1.0677667781386833,0.8394313233312164,0.5070538042881575,0.14634248649324347,1.2076448229620869,1.2076448229620875,1.207644822962088,4.770244868084088,4.660058124452512,3.2366016972115776,3.2170270384653907,2.5254995303317442,1.8562058238829173,1.722996983008103,0.5660377358490576,1.4370091199268917,1.0898465103905264,1.0279840849446795,0.05853881603294026,0.20965012623605128,0.5660377358490558,0.5660377358490563,0.5660377358490565,0,0,2,0,0,0,1,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5773502691896258,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.9106836025229591,0.9023689270621824,0.922588984322123,0.1767766952966369,0.10703808753134779,0.07707924740694315,7.276020881938894,4.201907262607799,3.2625422723683206,2.198584704241717,1.0202200572599405,0.5690355937288492,0.11785113019775793,0.0,0.8084467646598772,0.5252384078259749,0.3625046969298134,0.2748230880302146,0.17003667620999008,0.1422588984322123,0.11785113019775793,0.0,5.3400999430419995,2.3400999430419995,1.3290419216167926,0.7440169358562925,0.2621886974951644,0.11785113019775793,0.029462782549439483,0.0,0.5933444381157778,0.29251249288024994,0.14767132462408805,0.09300211698203656,0.04369811624919406,0.029462782549439483,0.029462782549439483,0.0,10.026507632810912,17.87399854333576,17.298039215686277,17.640000000000004,10.115176047904189,131.4737988023952,0.589794566635936,1.0514116790197505,1.017531718569781,1.0376470588235296,0.5950103557590699,7.73375287072913,-0.27749999999999997,28.64899999999999,23.068725004866224,34.63549723837185,46.13745000973245,5.126383334414716,23.06872500518247,2.220446049250313E-16,2.4671622769447922E-17,-32.43928805020544,2000019.0576273235,222224.3397363693,13.057800540563234,72,0.0,0.0,4.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,28.881944444444446,-1.1632407407407404,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.825,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.427129629629629,0.0,-0.3125,0.0,0.0,0.0,0.0,0.0,0.0,-1.1632407407407404,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.516111111111112,8.365833333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.182916666666666,-0.5816203703703702,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.825,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2135648148148146,0.0,-0.3125,0.0,0.0,0.0,0.0,0.0,0.0,-0.5816203703703702,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.258055555555556,4.182916666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.258055555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.825,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2135648148148148,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.258055555555556,4.182916666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,29.833333333333336,3.314814814814815,0.825,10.258055555555556,0.41451388888888885,-0.5816203703703702,1.0619119444444443,2.248287037037037,3.258055555555556,15.76388888888889,2.248287037037037,3.258055555555556,15.76388888888889,3.83332,0.42592,0.0,0.07408,0.69216,1.04074,0.42414,0.69216,1.04074,0.26802,0.0,-0.26802,0.0,0.40925,0.30504,0.0,0.43478,0.26087,0.0,8.5,0.94444,5.5,0.61111,3.0,0.33333,-2.5,-0.27778,0.0,0.0,4.65721,0.51747,10.52199,5.86478,0.65164,1.95164,0.21685,4.20189,2.25026,0.25003,0.21211,0.02357,0.21211,0.02357,0.0,8.04,4,4,4,4,0,0,0.6,1.522189872165821,2.205109900073869,2.5868878409958143,2.586887840995814,2.5868878409958143,2.3464488503340295,25.877227826818956,37.486868301255775,43.97709329692884,43.977093296928835,43.97709329692884,39.8896304556785,0.3724045774322412,0.5394813324833392,0.6328835126986732,0.632883512698673,0.6328835126986732,0.5740599832869084,2.565272969084519,1.882352941176471,1.5005750002545257,1.5005750002545262,1.5005750002545257,1.7410139909163105,0.3650401078291142,0.5288128441905204,0.6203679538843144,0.6203679538843143,0.6203679538843144,0.5627076864745599,14.603236625701252,23.73825687118606,24.12302223671261,24.123022236712615,24.123022236712615,21.237754348771197,35.38959279261834,25.87754335926834,25.691792875976002,25.691792875976002,25.691792875976,24.24915893200529,9.0,4.839506172839506,4.5,9,3,3,1.5699999999999998,0.9618999999999999,0.16666666666666669,0.6666666666666667,1.4142135623730951,0.0,0.0,2.0,0.0,0.4999999999999999,0.0,0.0,0.25,1.4142135623730951,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.7630000000000001,0.7480000000000002,0.989,0.12,3.449,9.0,8.0,6.0,4.0,1.0,0.0,0.0,0.0,0.0,45.0,2.3978952727983707,2.6390573296152584,2.5649493574615367,2.4849066497880004,1.9459101490553132,0.6931471805599453,0.0,0.0,0.0,0.0,4.143134726391533,1.3777777777777778,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.5,6.0,0.75,0,3.0,6.0,1.0,2.5,0.8888888888888893,0.5,0.24000000000000007,0.05555555555555555,0.0,0.0,0.0,0.0,0.0,0.3125,0.09876543209876548,0.0625,0.040000000000000015,0.013888888888888888,0.0,0.0,0.0,0.0,0.0,0.5276543209876543,23.068725004866224,34.63549723837185,46.13745000973245,5.126383334414716,23.06872500518247,2.220446049250313E-16,2.4671622769447922E-17,-32.43928805020544,2000019.0576273235,222224.3397363693,13.057800540563234,52.60000000000001,124.92437123077781,4.169925001442312,3.5553480614894135,4.23410650459726,4.976733742420574,5.680172609017068,6.428105272684596,7.136483208590247,7.88570539124302,8.595079730073309,9.344608992781216,74.83634351289672,2.833213344056216,0.0,3.970291913552122,0.0,5.2832037287379885,0.0,6.660575149839686,0.0,8.069968149059841,8.354674261918463,132.042258736,7.767191690352941,16.48648897316664,1.8318321081296267,10.213464536489482,10.213464536489482,0.0,100.0,8.0,0.34299999999999997,34.0,1.2386249999999999,2.1008616327508505,2.916558853803138,3.706764806349901,4.73140160450453,5.817763796571656,7.314762847863888,7.667580283938928,0.0,0.0,128.78234286712498,165.20068747357544,228.6341478852021,273.997247994014,206.50086178855145,162.31850498410932,88.5604774982187,7.790752293620124,0.0,0.0,293.1338118770787,353.0292803610419,553.6383969674257,602.5567900755518,528.1427208834284,659.6858982636253,839.2711387166813,238.33710594959732,0.0,0.0,10.3350137925,18.1296684527929,25.702570753176705,32.730239332427466,35.573748145338556,54.06899170323051,52.06379011836714,51.514362104753474,0.0,0.0,1.806707961015,2.184693321661724,3.3751998940419794,4.066639309298686,3.906039037239182,4.316096094026809,8.145312548238229,3.409105143205007,0.0,0.0,184.8042157925076,351.1641339477443,471.4293012958766,603.7755555684057,799.9229397814362,1046.146152277829,1120.0551231805866,1417.870942813411,0.0,0.0,5.4790416666666655,10.702520953072368,15.933487237588974,27.22335371359317,14.626157601010789,29.07497507434516,14.629525695727777,7.667580283938928,0.0,0.0,0.4765415625,0.6229058586026315,0.9631192764144557,1.1180273491674029,1.0438600643642562,1.3826859253841066,1.755543083487333,0.7851602210753462,0.0,0.0,378.20704568740825,441.58124632238815,27.387125723836647,146.0396179458465,-170.51072220974044,-42.4242110282171,232.16742774156177,612.0919685321286,69.81133675205375,0.7214295710844794,0.842315797037296,0.05224091562935679,0.27857042891552075,-0.3252490364517112,-0.0809241411937638,198.2737818642137,231.4974951075264,14.357609287225847,76.5607824663852,-89.38967723215312,-22.240751088815944,0.23217202388623182,0.2728328907227717,6.8999147196354444,14.180197016710492,341.3177775255639,182.9288861076908,0.651063328014498,0.34893667198550204,799.47976638163,28.27507323388624,9.281164972087712,876.9760550359312,29.613781505169705,9.57185060967053,1405.7105699779574,37.49280690983215,11.202079147324321,2.2857898723484134,2.2857898723484134,716.3706655891522,637.3772934149918,89.0643022578231,1.1239350271656579,8.043297341682466,7.15637216322555,4.045477293546052,4.193003681563745,8.313477067662712,0.9827020673070984,2.257656542629954,2.8948746230217455,6.575789894049551,6.968440663468169,4.889517242849262,2.3563312930962046,2.108231370531667,4.399459249013787,1.0255658570322475,2.787105580652156,0.09419373136251984,2.9366704192383617,0.7803553763781382,4.5319253136361315,0.5988313266848038,0.06167199644990535,6.79413996597755E-21,1.4436446991419695E-61,5.916461685001797E-124,4.676701995225836E-208,7.1300609535E-314,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2224845102898469,3.197135355047585,0.701227150220676,6.088847187840543,0.562093901162563,2.014362133412594,1.938474659353154,1.158873872724757,1.3659540309814255,0.28827259814336864,0.09056372197421952,0.28207941915790186,0.7726755117741992,0.17085997191795704,0.004217632336293332,4.3436091362506304E-4,4.785168330517201E-23,1.0167707656077468E-63,4.1670123408644806E-126,3.293839454424808E-210,5.0217602E-316,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6233722455902981,2.634947671161628,1.2678642423497133,3.61253727994116,1.3017215234953963,1.7507360835144907,0.7901637405125047,0.9848775355293387,0.7331789642788422,0.60468580725617,0.05242206557044292,0.5158212322981908,0.7742431333360714,0.6895846234245421,0.04395086817330073,0.004526375613997867,4.98651433881646E-22,1.0595535312013603E-62,4.3423481375210073E-125,3.432434667867458E-209,5.233061335E-315,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1412738181982975,3.1960388901168484,8.005634227087269,9.204395702706273,4.929993910600352,2.665330554287053,2.84899344871993,4.7925057708762715,1.364556620856788,3.2384857223846955,0.12320540296970688,3.5271710426858633,0.779885219674209,4.133533152913737,0.5335479408640821,0.0549486385224588,6.053456391098621E-21,1.2862614362168522E-61,5.271460844067425E-124,4.166857280543261E-208,6.352755943E-314,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9035725090851651,2.4213151757520563,1.3373320765654757,2.7755383209978013,1.7774870940746514,1.6331224909060698,0.6247481612878063,1.1588959659158518,0.4927121166743268,0.7088091211608801,0.03698325753849623,0.5492080515638232,0.7753192571457037,1.1559675205072255,0.09546712339412816,0.009831892677912308,1.0831375475004357E-21,2.3014918543345825E-62,9.432160408033485E-125,7.45570676327754E-209,1.13669085E-314,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.726493295482871,3.085668189451843,9.49920511639995,9.173859144288539,6.127997911736823,2.7222432603635642,2.8554454902684743,6.023026729386548,1.240226532289517,3.8581216867605566,0.1210999651216663,4.287679309203677,0.7820961560503479,6.156199335192589,0.8733391640905106,0.08994281079095873,9.908614616417978E-21,2.105420117699076E-61,8.628603329200158E-124,6.82053033622754E-208,1.0398523806E-313,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4392271826639755,3.578360885442541,8.02082365904294,28.110123306333627,4.444576020743075,3.4300866958360663,8.849102264660726,5.396684161720072,4.598960878983913,4.814835851338946,0.17933011105802893,2.939382069969056,0.9947273661048419,2.0310631949139646,0.19186484936801484,0.01975962862403518,2.1768337377642563E-21,4.625419114374412E-62,1.8956267413676104E-124,1.4984093256330552E-208,2.2844623913E-314,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.4820883095009805,0.6876926229083868,0.29390401764705887,0.8840225449851012,0.08125215281126481,0.5771685357655822,0.447010958971622,0.3529291237035743,8.463684950056425,7.546508373724356,17.522440277107364,0.8260338174776518,1.3771086184407786,4.789240324041151,0.6538774177737958,0.03812087383264579,0.8737514747796318,0.11929373333741322,0.23649253297615297,0.4041082789341924,0.0059374798200701505,5.481238615647592,3.339072500874128,8.93968953378161,0.8106272121694478,0.6465382917304155,6.019999069592214,0.5596034760483353,0.13500070822443552,0.8965532053032396,0.08334125709158208,0.37363959412099207,0.29600692700669656,0.07446437448881209,6.7146032538649845,4.25706340864832,11.426458723084027,0.8448298079548593,0.7441108956165007,7.098931779532267,0.7176688392032247,0.26385613124159574,0.8785310037767848,0.08881538029459285,0.519571058372942,0.4868404106858255,0.2844532058670576,8.080456749977087,7.157140128520013,16.58185999517177,0.8177965056651774,1.290864674925825,6.744754838656641,0.5324126379678216,0.19722209113559974,0.9023820310021545,0.07123158796329315,0.46901723662197575,0.2679303983144119,0.15892329858415846,7.4743895677600625,5.026210903379264,13.208823563860369,0.8535730465032317,0.8958709335205461,7.589567083229729,0.7182803700887302,0.309448189929899,0.8807365323686146,0.08335333958879572,0.5938697474461679,0.48766186049098564,0.39124819361254437,8.617295643248358,8.022285409998613,18.32651838192461,0.8211047985529218,1.4727798015496978,7.142463407762657,0.7285778635761582,0.2692211352190273,0.8774242218541565,0.08950299476700059,0.5259631081855841,0.5017544051950035,0.29613841965197896,8.140262406557842,7.322891396724255,16.8641377121921,0.8161363327812347,1.3238559330325665 +UMLCN0378,L,dimethyl phthalate,COC(=O)C1=CC=CC=C1C(=O)OC,Aromatics,Esters,C10H10O4,BioCompoundML (2016),Unknown,PubChem,,19,0,1.0346,1.07039716,52.4924,27.475929999999984,6,6,24,14,10,0,10,0,4,0,0,0.0,0.0,0.0,0.0,0.0,2476.673853999999,2428.167782,3211.47645,3561.0427000000027,3504.3538740000026,2981.858094000003,1394.1444859999988,446.8374970000001,78.738912,5411.569569660027,6351.8783901547495,8322.379564526489,9191.501133472602,8662.47185970962,7140.561178019651,5096.714361040802,2698.578333390246,874.9221648086931,195.9966640000001,191.703752,311.40400799999986,309.781504,373.44516000000004,335.15541600000006,289.9999280000001,258.7571560000002,83.01657599999999,34.90794504849,41.4826831,54.895207825094005,60.43294767454702,54.63200600969801,47.20304175284902,40.239884193094035,23.449825170187985,9.348943289094002,3858.9252243524907,3465.6402963390005,5951.400112370595,5806.090564529148,6966.279816510599,6232.297222409849,6085.901094453895,5792.997882437988,2028.241198422894,167.6111111111111,96.0,166.55555555555554,169.44444444444437,229.3333333333333,247.24999999999994,119.00000000000001,95.0,18.0,103.19474391666664,101.17365758333334,84.51253815789474,91.30878717948725,79.64440622727278,76.45789984615392,36.68801278947365,13.540530212121215,6.561576,225.48206540250112,264.66159958978125,219.00998854017075,235.67951624288725,196.87436044794592,183.09131225691414,134.12406213265268,81.77510101182564,72.91018040072443,8.16652766666667,7.987656333333334,8.19484231578947,7.943115487179487,8.487390000000001,8.593728615384617,7.631577052631582,7.841125939393945,6.918047999999999,1.45449771035375,1.7284451291666667,1.444610732239316,1.5495627608858211,1.2416365002204093,1.2103344039192057,1.0589443208708957,0.7106007627329692,0.7790786074245002,160.7885510146871,144.40167901412502,156.61579243080513,148.87411703920893,158.3245412843318,159.80249288230382,160.15529195931302,175.54539037690873,169.0200998685745,6.983796296296295,4.0,4.383040935672514,4.344729344729343,5.212121212121211,6.3397435897435885,3.1315789473684212,2.878787878787879,1.5,0.5624582489801928,-0.3231227193758337,0.02421067136584018,0.12905218798825027,-0.3008245100317752,0.3242943087890193,-0.039148774522771324,-0.15581777182574028,0.03453348869860987,905.4987458333336,31.265255333333087,176.27779876388865,169.9098761041663,-384.3205660277782,-375.84237356250026,-379.1364442361109,-276.8633834374995,134.42983858333355,1134.5241138407573,-84.86990312772843,519.8286902539456,-96.90291486876521,-340.1250722330471,-563.1192127277,-772.3536723968962,200.93988280086208,25.38799745561927,3.3526633333333313,-0.1582946666666668,0.4819097222222223,-0.12868158333333363,-2.3819534444444446,1.265307749999999,-0.2513862777777781,-1.5017837499999998,0.47509833333333273,5.479609408285835,-0.9767943966666589,3.2868975868864334,-1.935843211570387,-1.8990562044993597,-1.1105946153500623,-3.8048233513585688,2.276573284237051,-0.32282273517141946,32.0444186967858,-6.446958902708353,19.783134268653065,-13.262310127957917,-12.11747960500769,-2.879628755312552,-21.379549223466878,14.104055563916251,-2.3083147885714075,64.82870370370371,-4.023148148148147,8.530478395061731,2.5954861111111103,-44.40817901234569,17.627893518518505,-3.8445216049382633,-26.493634259259256,7.307870370370376,0.0234357603741747,-0.013463446640659738,6.371229306800048E-4,0.0033090304612371866,-0.006836920682540345,0.008315238686897932,-0.0010302309084939821,-0.0047217506613860686,0.002877790724884156,37.729114409722236,1.302718972222212,4.638889441154965,4.356663489850418,-8.734558318813141,-9.636983937500007,-9.977274848318707,-8.389799498106045,11.202486548611128,47.271838076698224,-3.5362459636553516,13.679702375103833,-2.4846901248401334,-7.730115278023797,-14.438954172505127,-20.325096642023585,6.089087357601882,2.115666454634939,0.13969430555555548,-0.006595611111111117,0.01268183479532164,-0.0032995277777777853,-0.05413530555555556,0.032443788461538434,-0.006615428362573108,-0.04550859848484848,0.039591527777777726,0.22831705867857646,-0.04069976652777745,0.08649730491806404,-0.04963700542488172,-0.04316036828407636,-0.028476785008975956,-0.1001269302989097,0.06898706921930459,-0.026901894597618287,1.3351841123660748,-0.26862328761284804,0.5206087965435017,-0.340059234050203,-0.27539726375017476,-0.07383663475160389,-0.5626197164070231,0.42739562314897733,-0.19235956571428395,2.7011959876543212,-0.16763117283950613,0.2244862735542561,0.0665509259259259,-1.0092767957351294,0.45199726970560267,-0.10117162118258588,-0.802837401795735,0.6089891975308647,-0.5744830304501634,0.02718592955840637,0.14119577979998507,-0.29173026918616074,0.35480985272664767,-0.04395978163478991,-0.20147631593764095,0.12279485192447051,0.03452821495026982,0.12295251329725332,0.11547219058838472,-0.23150711209278674,-0.25542565968674574,-0.2644449784845125,-0.2223693725486469,0.29691888409987205,-0.07480661018337847,0.2893837627576193,-0.05256174132278803,-0.16352474522953264,-0.3054451605854214,-0.4299620549775589,0.12881004008607366,0.044755324538095706,-0.047214602519986666,0.09078276129357442,-0.023619629766981343,-0.3875269313252451,0.23224846805681537,-0.04735646407535343,-0.3257727528968603,0.2834154736681979,-0.17825985830114588,0.37884731617813316,-0.21740384057224751,-0.18903698450687073,-0.12472473661753598,-0.4385433610541903,0.30215468620075475,-0.11782691470062528,-0.20118819953363712,0.3899153620251912,-0.25469089311404797,-0.20626163927470967,-0.055300714012210844,-0.42137987652504855,0.3201023882703271,-0.14406969340985062,-0.062058130400628415,0.0831062516678757,0.024637577661929574,-0.3736407133536321,0.16733227495207056,-0.0374543800764497,-0.29721553173670573,0.22545168892380218,1.5365246103382442,1.027968082555844,1.0112647463708697,1.573797768189072,0.803876078989633,0.7808949067052541,0.9191793079643208,0.0013420506465946908,0.6911465937103106,0.795608037384203,0.6825852157881145,1.1929728544806661,1.236969636700997,1.2118612102149298,1.4106012879962788,0.7687802495069715,1.0381228990438178,0.6507301091447253,1.0257331707668527,1.0135580386971286,1.1455210980174524,1.4469421429794163,0.8607919375866799,1.1409917263840768,0.7408954970128231,0.9256462720054829,0.758502245478471,1.6763902131539212,1.1169897762873107,0.7520047769301617,1.4264945219038438,0.04067423013942148,1.275372600037379,0.617168089132154,1.2719689519605797,1.1120116133431566,1.0365768692187731,1.3933175723838456,0.5259930476699415,1.0560861562744226,1.3162262593247231,0.6230626087858189,1.3164380711417158,1.168376129719645,1.0095446729398085,1.3458784413767464,0.4756740229402198,0.9809741988465143,0.5789830750553453,0.6226823575399257,0.8111448645619898,1.9387533840151139,1.1815929553557207,0.7360152147848017,1.4056857946024552,0.08869527958294651,64.98886846421205,32.994434232105995,46.37769664971762,65.84601132135487,4.703286522953918,32.99443423210603,0.9999999999999467,5.551115123125783E-16,3.9650822308041306E-17,-49.178307720140204,103.32696915850255,7.380497797035896,6.493057785376023,65.01242108568388,33.004741701039336,46.39079148176155,65.86704592830799,4.704788994879143,33.00474170103937,0.9970623163947891,1.2212453270876722E-15,8.723180907769087E-17,-48.074467415630224,103.35041773411056,7.382172695293612,6.493375459278191,86.19616735602446,42.30009472189616,58.32803548829169,85.28417997760609,6.091727141257577,42.30009472189616,-1.5959779122321365,5.551115123125783E-16,3.9650822308041306E-17,-49.178307720140204,126.73527583909751,9.05251970279268,6.778940656282858,65.03714113539215,33.01556016813395,46.404535853373154,65.88912330757137,4.706365950540811,33.01556016813399,0.9939792008757635,8.881784197001252E-16,6.344131569286608E-17,-48.520302639196174,103.37503501831249,7.3839310727366065,6.493708888931741,109.03186795860455,52.35134545062398,71.47593221334799,106.55805249725796,7.611289464089854,52.35134545062398,-4.3291770573565955,2.7755575615628914E-16,1.9825411154020653E-17,-50.148713772924125,156.307080763202,11.164791483085859,7.0725515543046535,67.46093231219282,34.076734527853006,47.75447896335689,68.05453523520413,4.861038231086009,34.07673452785302,0.6925367435131804,9.43689570931383E-16,6.740639792367021E-17,-48.43542816865317,105.82061425159318,7.558615303685228,6.526443478999499,66.29927154585806,33.63924908999386,49.01773099833524,67.29355726014379,4.806682661438842,33.63924908999388,2.3200000000000003,0.009810314304195211,7.007367360139437E-4,-6.47404935345627,101.15679589981568,7.225485421415406,6.463340446796696,0,11.996249451005681,15.999287576689692,-0.34602405317639323,0.2948234975480991,4.601734374999999,9.196572257891276,14.0,24.0,19.0,16.0,6.0,5.0,2.0,0.0,0.0,8.0,16.68007,3.8757791746404973,3.32313535654091,3.2352259628188236,2.6838377758502947,2.6652286392014903,2.425115173208085,2.148519091045477,1.0941174736270192,1.9546482352661867,1.4548865334810455,1.4509170175585557,1.1288399022833644,1.10349605574424,0.6978308546338217,0.4474696022445699,0.23685719928350205,3.8429812032066875,3.1121456421200118,3.1038818595192255,2.656587737318072,2.6529793558140375,2.349035666514791,2.0042465765588102,0.8968286828609842,1.9593300231706787,1.4892717592288491,1.4641832072551817,1.1303178231414088,1.0902839972678346,0.7949989426172459,0.45330770279179955,0.07181483743640844,3.9080767580486118,3.3715376101345593,3.3143312694137887,2.8904219095415695,2.8615576204834565,2.584300281348188,2.2524815040834665,1.4017415430737785,1.8786830676473656,1.1889948270723354,1.1857980343964416,0.8771785168709049,0.8497334240690425,0.4951722164239532,0.11713764793925197,0.5095368031182671,3.8389013118498148,3.0716771781363605,3.0574262272945583,2.672744689497336,2.670482668403166,2.3324110830892324,1.9619550473507985,0.9776611442259072,1.9651350986917504,1.5269383917930648,1.4770705484201958,1.1144111438361477,1.07963637986516,0.79330324253462,0.4511904283662563,0.04098313570155005,3.9141973878328833,3.3596632525895562,3.3251516671051866,2.9588866742934634,2.9258219426371,2.629559457818182,2.2757006613281945,1.6192892778913268,1.8687465902103413,1.1790863587432994,1.1722027847055978,0.8034277717467281,0.7826091294010341,0.46086223679383653,0.09433330912457412,0.7225488837843406,4.58762343271925,4.52417190996979,3.708085062535037,3.1426006684121695,3.1420851094233977,2.698128984329501,2.575181172627577,1.8112800556821296,1.8850878459878395,1.1725498158295107,1.165302804954709,0.9456904970785616,0.9035667957756902,0.2992979212356514,0.04317865068829476,0.17651150857069212,0,0,2,4,2,0,0,0,0,0.0,0.0,0.0,0.08333333333333333,0.09622504486493763,0.0,0.0,0.0,0.027777777777777776,0.027777777777777776,0.7435700477669405,0.0,0.24800564528543081,0.0,0.2276709006307398,0.0,0.04488959454956774,0.0,2.0835540175294853,3.0961531511883953,4.1814403415774635,0.5297991029455966,0.6613102541751456,0.6764063190346853,10.55204176387779,6.701907262607799,5.383230620731137,4.624562924162997,3.2067391387410096,2.4427399077540453,1.280271076476601,0.6259423616138584,0.7537172688484136,0.4787076616148428,0.2990683678183965,0.20106795322447812,0.12333612072080806,0.0872407109912159,0.06401355382383005,0.044710168686704174,7.942394238613956,3.9603434310450787,2.5287470295771026,1.7376826523311049,1.0590287481546588,0.6366081963480126,0.25517125438870086,0.10504434788804794,0.5673138741867112,0.282881673646077,0.1404859460876168,0.07555141966656978,0.04073187492902534,0.022736007012429022,0.012758562719435044,0.007503167706289138,15.568335436596787,24.761835396941002,24.023529411764713,24.39999999999999,15.913730538922152,181.47283233532937,0.6486806431915327,1.0317431415392084,1.000980392156863,1.0166666666666664,0.663072105788423,7.561368013972057,1.2598,49.12100000000002,71.12351867787336,105.97244575167144,142.24703735574676,10.160502668267625,71.12351867787336,9.43689570931383E-16,6.740639792367021E-17,-48.43542816865317,110.44003484629944,7.888573917592817,6.586261783618097,148,0.0,0.0,4.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,31.499009826152683,5.647037037037037,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3379903628117913,0.0,0.0,0.0,0.0,2.3379903628117913,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.5206198034769463,0.0,0.0,0.0,0.0,6.326944444444444,0.0,0.0,0.0,-1.0999999999999996,0.42009259259259313,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,22.449266817838247,9.049743008314437,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.524871504157218,-0.55,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5565646258503401,0.0,0.0,0.0,0.0,0.5565646258503401,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2603099017384731,0.0,0.0,0.0,0.0,1.5119907407407407,0.0,0.0,0.0,-0.55,0.21004629629629656,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.224633408919123,4.524871504157218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.224633408919123,1.6514814814814813,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6124305555555556,0.0,0.0,0.0,0.0,0.6124305555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2603099017384731,0.0,0.0,0.0,0.0,1.6514814814814813,0.0,0.0,0.0,0.0,0.21004629629629656,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.224633408919123,4.524871504157218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,39.66666666666667,2.8333333333333335,0.7227777777777777,11.224633408919123,0.28889739229024924,-0.55,3.219782662509448,2.216666666666667,4.224633408919123,20.998019652305366,2.216666666666667,4.224633408919123,20.998019652305366,6.33332,0.45238,0.0,0.04762,0.66111,0.91905,0.43333,0.58889,0.91905,0.22778,0.07222,-0.15556,0.0,0.49223,0.22206,0.0,0.26316,0.31579,0.0,17.5,1.25,8.5,0.60714,9.0,0.64286,0.5,0.03571,0.0,0.0,7.5419,0.53871,19.99379,12.45189,0.88942,2.65431,0.18959,6.70188,4.04757,0.28911,0.21212,0.01515,0.29812,0.02129,0.25,14.04,4,4,4,4,0,0,0.2,1.4833557549816874,2.8553885422075336,3.0220552088742005,3.188721875540867,3.188721875540867,3.188721875540867,35.6005381195605,68.5293250129808,72.52932501298082,76.5293250129808,76.5293250129808,76.5293250129808,0.3235262567029445,0.6227724963417731,0.659123211672695,0.695473927003617,0.695473927003617,0.695473927003617,3.1016067457394696,1.7295739585136234,1.5629072918469564,1.39624062518029,1.39624062518029,1.39624062518029,0.30534408357493664,0.5877726868572383,0.6220804922673108,0.6563882976773832,0.6563882976773832,0.6563882976773832,13.736596816023624,26.419784857929894,28.419784857929894,28.587755696596563,28.587755696596563,28.58775569659656,50.62497017399848,35.37794584078528,32.208020839342964,31.679700005769256,31.679700005769252,31.679700005769252,12.071428571428571,5.777777777777778,2.9943289224952743,4,12,0,2.12,1.4287999999999994,0.14285714285714285,1.6164124037412986,2.417100317885414,0.0,3.965406456500188,6.871566675357258,0.0,3.965406456500188,0.0,0.0,0.19999999999999996,1.2649110640673518,0.19999999999999996,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.8070000000000002,0.796,1.391,0.7520000000000001,6.073999999999999,18.0,23.0,26.0,28.0,20.0,14.0,8.0,6.0,4.0,175.0,2.995732273553991,3.481240089335692,4.020877410340228,4.464470303884956,4.888938359118736,4.741665930576629,4.799657028052497,4.342993403944672,4.4371212884808555,3.840795496139778,6.655520784713156,4.434642857142857,0.42857142857142855,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.2857142857142857,6.0,0.42857142857142855,0,4.0,7.0,0.75,2.5,2.000000000000001,1.125,0.7022222222222225,0.47222222222222227,0.12081632653061225,0.0,0.0,0.0,0.0,0.17857142857142858,0.11111111111111116,0.05625,0.039012345679012364,0.033730158730158735,0.020136054421768707,0.0,0.0,0.0,0.0,0.43881109851347955,43.70547986617038,60.02537686096929,87.41095973234076,6.243639980881483,43.70547986617038,0.0,0.0,0.0,86.9737391234932,6.212409937392372,6.251848713507191,52.60000000000001,180.23845955691127,4.807354922057604,4.174387269895637,4.990432586778736,5.831882477283517,6.675823221634848,7.5256399750415355,8.374938143835367,9.22631214148588,10.076894491940509,10.928471241312758,95.8047815492088,3.367295829986474,0.0,4.61512051684126,0.0,6.093569770045136,0.0,7.67275789664251,0.0,9.304650051446924,9.526682784921174,194.0579088,8.0857462,27.244836102998388,1.946059721642742,10.398360407470786,10.398360407470786,0.0,295.0,20.0,0.946,64.0,1.2403459892067092,2.1470290984720335,3.007666340114632,3.803215919238497,4.799864296723356,5.465310206436439,5.9999570487583105,6.37711453904799,5.263299905560237,0.0,133.67297045303138,192.03259695891887,279.84434375990645,317.80687542993263,346.07535142147896,187.2913535023707,71.16459667853974,34.435961163389514,5.347849555243157,0.0,342.9891391797828,494.40638125424476,726.3248374770861,781.1935563192158,882.778774728718,733.8179876714388,468.958949380196,409.08281493154044,163.6030691277738,0.0,9.977900162149021,17.652143223158618,23.894180604705504,31.9310739092347,40.69977476234578,41.56248591786604,45.822042450938845,43.85057061587458,35.361290936709864,0.0,2.208700199441091,3.236790369551003,4.77422391381857,4.943645725397201,5.922225157121818,5.890168502547926,4.265711173750402,4.521478208925779,2.3401310601026046,0.0,178.1605254070779,332.79466955693874,445.0210018539132,594.4347012468451,763.9891612926349,871.5283446567616,1049.1080057447537,1099.0972478844014,973.2770604356506,0.0,5.08430548109941,9.614421316609485,12.888747366428628,19.27878744825843,27.499606554933923,16.58853582766083,15.44901483126079,8.89774785986546,5.263299905560237,0.0,0.5216377439287739,0.7773053884886512,1.143680672736379,1.3097475676078612,1.5365631712369392,1.406044173008859,1.0841226259688894,0.999855673742998,0.5389619103293684,0.0,295.53855482730035,404.49217266223945,19.309875271432556,130.93800660373296,-179.20977791258426,-25.246580721899498,164.6005482235674,583.7019505748237,44.55645599333205,0.6929772502283051,0.9484511207485219,0.04527769405811814,0.30702274977169475,-0.4202101454561759,-0.059198049799466385,126.04026663304398,172.50643092275973,8.235209207422699,55.84199081699397,-76.42876985897809,-10.767074934166715,0.21462367200310997,0.23023291027697182,2.05863564200575,2.7866280535391885,334.97516375735387,91.50139767367942,0.7854480035980209,0.21455199640197894,1307.1756390738042,36.154884027940184,10.933972616028875,1404.895249066103,37.4819323016584,11.199912969843773,2681.5209856460256,51.78340453896427,13.892926348663998,1.4405508567196943,1.0338407768145284,1118.6338614515012,679.8775366388442,551.7213976278863,1.645346111862683,2.0275339442353375,1.2322841556661792,4.923727075713145,5.060968451346779,7.9577586363153,0.5723786292715681,3.1422195373742845,2.0608075657975404,7.540645595785858,6.683769118337427,8.586685450159452,9.604864987341772,8.055684326858207,11.54675753326721,6.8741444689891535,7.365575898335624,3.29866058252445,6.786515109251307,1.0784933049655174,0.5606819170803343,1.7739430200605582,1.7605149701709985E-13,6.679920855454222E-48,5.0434617418800334E-104,7.355971189510334E-182,2.0694776177165417E-281,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.29683753443245814,2.3107350790197665,1.3177639637763372,3.314536828429625,3.9157894193436316,7.978405550247338,5.011211497489689,5.5906485279155,2.6767410008415085,0.9585495742895916,0.34506754398928774,0.45064772236723816,0.029866625600262636,0.0105898848064506,0.012494025737243505,1.2399450883923007E-15,4.704722877059806E-50,3.5521513428148877E-106,5.180870655080364E-184,1.4575500073005263E-283,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8631063977963576,1.753371665052962,1.716989267586698,2.812953628170704,3.0703102625031806,6.365566523856378,4.379721954238296,4.959405368217987,2.2456709159862505,1.7725669790228342,0.7651640082402225,1.5306300163716966,0.13637306547059122,0.0582127813960613,0.13019738112655443,1.2921183823735965E-14,4.902683973936791E-49,3.7016155715212E-105,5.398866669820863E-183,1.518879485303403E-282,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.97623633910767,2.3770740485877306,8.894659937293191,7.131939011263909,9.96715612087712,10.97309984805943,8.748502607785518,12.299099932948547,7.578896738614529,7.780917233930223,3.688302404928454,6.323913026307977,0.9762528216128047,0.5041301859468355,1.5805512936154686,1.5685871429163374E-13,5.95168921997094E-48,4.493633611837479E-104,6.554037896314041E-182,1.8438672994572717E-281,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2568356210439613,1.5396234992432287,1.8807903157492314,2.7761643878444406,2.9985637221075176,6.04702115921103,4.245613656624389,5.0750139045448295,2.237929437903722,2.2304121467445235,0.9467923725870039,2.335151865491036,0.24141743408170585,0.11010407579155876,0.2828061096438498,2.80665378793746E-14,1.0649284720516759E-48,8.040403655749862E-105,1.172705983919733E-182,3.2992092048224746E-282,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7947045194244686,2.278736587359533,10.49896097866421,8.60219115181361,11.100634815422412,11.266722503602791,9.890322236216495,14.228535830377425,9.042316779310402,9.908367643577865,4.444533326316251,8.587911097970613,1.500240252091264,0.7960409254201142,2.5871291768031224,2.5675456280284484E-13,9.742036778211359E-48,7.355414958064832E-104,1.0727992654158466E-181,3.01813861267805E-281,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.876970247608952,2.995786526444911,8.389993128670778,8.973373395599241,12.595620886190154,14.34409890759296,10.504867973046066,13.902248748612845,6.665548671297911,6.342112209170563,2.9087147038549404,3.450555753057155,0.39265220286145786,0.18570040192792636,0.5091035452979918,5.052498320006054E-14,1.9170691230576527E-48,1.447422056024244E-104,2.1110886704589603E-182,5.939189591660993E-282,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.219996759671399,3.714805332577493,0.28365611520372713,0.5662548597824437,0.4029746893655467,0.5511475275485903,0.5894881145769288,0.29845169872939703,9.218458207452617,21.925683050466,36.64459408524412,0.4538443237219855,1.439087340854916,3.2227727200448997,2.551992773862552,0.2977226157368679,0.5307170078977174,0.420254881983133,0.20907802891471583,0.27360116412276686,0.2957870717570558,6.07248810964432,9.943770981469077,18.464876568888087,0.4264578348212756,0.7784662647945385,4.153384066649783,2.8522739345551233,0.2236591913205177,0.57451955088429,0.39454264608892275,0.3489070776334468,0.3476935552803381,0.1828797007824058,7.229317192525425,13.41346891671934,23.292384650277015,0.45359329545981913,0.8794803336961906,4.931320552330309,3.6332499977649726,0.31116760980150915,0.5555955418571802,0.4093462349059676,0.49155813802215004,0.5633212582581051,0.3562559271661259,8.875738159896791,20.581737332782,35.032578550589136,0.4474126651447218,1.411135323446381,4.658969249998877,3.06878605891788,0.19714281619856228,0.5878901124588376,0.3872335026228775,0.4392766281305957,0.4023102073928637,0.1442674449860481,7.92489812511532,15.820851327816884,26.5643751873913,0.4626854226225727,0.9858542805095076,5.3163579487705785,3.843651547748964,0.3037065559489539,0.5617621998901658,0.4061461191818401,0.5715843626676417,0.6309347468093692,0.3419347378915186,9.463716052468497,23.216182394827204,38.88590729209695,0.45186247860800893,1.5444538473685294,5.002196071534591,3.643298331549856,0.3113532532961283,0.5584772973079636,0.4067612257482671,0.5058005997978664,0.5666568959424981,0.3553062118133987,8.956847656380575,20.916295410261032,35.5473981277921,0.44785778458434594,1.4277637075537633 +UMLCN0379,L,dioctyl adipate,CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC,Esters,,C22H42O4,BioCompoundML (2016),Unknown,PubChem,,89,0,-4.018800000000001,16.150753440000006,83.666,69.93330599999993,0,0,68,26,42,0,22,0,4,0,0,0.0,0.0,0.0,0.0,0.0,4240.357354000017,4402.499929000003,5246.492130000006,5055.550289000024,4915.17301600002,4718.416287000019,4521.6595580000185,4647.859670000021,4055.6870280000035,11488.452212441784,14682.136033253984,19437.03679813414,20416.433193331915,19489.019415431227,18482.221070476106,17475.422725521017,16473.958780071487,15513.33341153661,501.47370399999943,502.4136520000006,948.4686000000004,1275.6069800000025,1196.859040000002,1133.9741400000019,1071.0892400000018,1008.5912240000018,951.7683360000019,82.60235800365777,107.79400101999988,154.7347086003762,170.04928944112862,159.60992928694048,150.58840042754431,141.56687156814806,134.5041836801478,127.25675044014766,11297.822362208459,9760.299740141798,20083.090237836113,29024.62109600099,26807.061831553023,25328.106676514442,23849.151521475866,22496.10913745668,21501.59840487509,218.55555555555554,156.25,285.66666666666663,334.0833333333333,341.8333333333333,329.6111111111111,319.66666666666663,353.41666666666663,266.8333333333333,62.35819638235319,65.70895416417915,40.98821976562505,28.888858794285852,30.340574172839627,30.839322137255028,31.40041359722235,34.175438750000154,31.19759252307695,168.94782665355564,219.13635870528336,151.85184998542297,116.66533253332523,120.30258898414337,120.79883052598761,121.35710226056261,121.13204985346681,119.333333934897,7.374613294117639,7.498711223880606,7.409910937500003,7.289182742857157,7.388018765432112,7.411595686274522,7.438119722222235,7.416111941176484,7.321294892307707,1.2147405588773201,1.6088656868656699,1.208864910940439,0.9717102253778779,0.9852464770798796,0.9842379112911394,0.983103274778806,0.989001350589322,0.9788980803088281,166.14444650306558,145.67611552450444,156.89914248309464,165.85497769143421,165.47569031822854,165.54318089225126,165.61910778802684,165.41256718718145,165.39691080673146,3.214052287581699,2.332089552238806,2.231770833333333,1.9090476190476189,2.110082304526749,2.154320987654321,2.219907407407407,2.5986519607843133,2.0525641025641024,0.5704031453764926,-0.3211229838364322,0.08526654233946215,-0.005143844861563913,0.013699880390994257,0.013610082157906028,-0.3787836445115266,0.3926355994642006,0.011836080098402688,2220.8707440588228,9.281847265575365,-457.7258833460168,220.3175667015563,-130.32246425778544,-135.71346533823453,-141.10446641868435,402.0298634705884,264.2152460051901,3309.828721816955,-205.23996334362826,-1311.1564560510244,288.9074776052414,-25.7536703122925,-27.12432150996294,-28.494972707633607,45.08344010162995,155.4730413879647,4.175650117647058,0.07399850173008615,1.6023289550172817,-0.33450227335639793,-0.8954135155709585,-0.9288594705882636,-0.9623054256055686,3.3401974117646835,-0.09387981314879082,14.69571393998687,-1.6141326883480813,-6.206513497609343,0.617499828221667,-0.004647413200630945,-0.004679290848751239,-0.004711168496869755,0.15547516938393857,-0.5371701233130435,81.48062639138664,-9.96925127303766,-33.4976368747662,1.9727341703130679,-0.2551864359063769,-0.26040346009861803,-0.2656204842908556,2.360216231784025,-5.1766293544423485,79.23529411764694,1.5214340638216077,22.12572087658593,-4.45030757400998,-16.17820069204151,-16.781045751633975,-14.628988850442127,53.30555555555539,-2.152441368704343,0.008388281549654304,-0.004792880355767645,6.661448620270481E-4,-2.9393399208936644E-5,8.456716290737196E-5,8.895478534579103E-5,-0.00263044197577449,0.002887026466648534,9.104676998771298E-5,32.65986388321798,0.1385350338145577,-3.5759834636407564,1.258957524008893,-0.8044596559122558,-0.8870161133217943,-0.9798921279075302,2.956101937283738,2.0324249692706933,48.67395179142581,-3.063283034979526,-10.243409812898628,1.6508998720299508,-0.15897327353266974,-0.17728314712394078,-0.19788175491412227,0.3314958831002202,1.1959464722151132,0.06140661937716262,0.0011044552497027785,0.012518194961072513,-0.0019114415620365595,-0.0055272439232775215,-0.006070976931949435,-0.006682676566705337,0.024560275086505025,-7.221524088368525E-4,0.21611344029392457,-0.024091532661911663,-0.048488386700072994,0.0035285704469809544,-2.8687735806363862E-5,-3.058360031863555E-5,-3.271644789492886E-5,0.0011431997748819012,-0.004132077871638796,1.1982445057556859,-0.14879479511996507,-0.26170028808411094,0.011272766687503245,-0.0015752249130023266,-0.0017019833993373729,-0.001844586696464275,0.01735453111605901,-0.03982022580340268,1.165224913494808,0.02270797110181504,0.17285719434832758,-0.02543032899434274,-0.09986543637062661,-0.10968003759237892,-0.10159020035029255,0.39195261437908374,-0.016557241297725716,-0.5713780978137493,0.07941374619864794,-0.0035041026025346036,0.010081583743556763,0.010604649452837813,-0.3135853225960084,0.34417376784015,0.010854043161136523,0.004241751720396571,-0.10949168301580853,0.038547543508158914,-0.02463144545821641,-0.02715921035352449,-0.03000294586074623,0.09051176538438387,0.06223005020896732,-0.06293475097534901,-0.2104495204497257,0.03391752284885909,-0.0032660851992024568,-0.0036422591673596185,-0.004065454881536458,0.0068105397425038145,0.02457056450521829,0.01798593149899944,0.20385741941247595,-0.031127614277157756,-0.09001055552869479,-0.09886518739390589,-0.10882664824226837,0.3999613614235063,-0.011760172049227384,-0.11147632756734625,-0.22436543805015774,0.016327399361103737,-1.327438763981878E-4,-1.4151641969625025E-4,-1.5138553090651341E-4,0.005289813411544858,-0.019119948606708466,-0.12417732307992184,-0.21840307785852672,0.009407734926682558,-0.0013146105869343368,-0.0014203974156877094,-0.0015394075980352327,0.014483297050558296,-0.033232137190806164,0.019488058347214714,0.148346634496412,-0.02182439518742409,-0.08570485853336639,-0.09412778281870098,-0.0871850568707783,0.3363750721768533,-0.014209481024625801,1.6118158545450265,0.9393594450668573,1.0224567685939046,1.1813609991361336,1.2460690335637779,1.5790704460371054,0.7912595079721568,1.1369026261939235,1.1662536543060518,1.17293943504826,0.932145967707635,1.0455573568519212,1.0593174443744404,1.0747975428372745,0.931561045030561,0.9257475598773212,1.4595987019104057,1.3600519061702743,0.9332114393745918,0.9726914387126124,0.9703373985926511,0.9676891034576948,0.9646746712105532,0.949815655967892,0.7116084720418038,0.7028103285875097,0.994590331391541,1.2931214277641507,1.3642131086071199,1.4441912495554605,0.8023453184859475,1.037043202190243,1.5919731479102184,1.4081559351459978,0.9466202850507002,0.9669651700259627,0.9638658436960665,0.960379101574934,0.9639063136740612,0.9906486533076951,1.6136611544118893,1.406573247468392,0.9521847336071239,0.9731004928693361,0.9715790789663905,0.9698674883255772,0.9596878993347094,1.00514594694452,0.5500494926998276,0.4917885939948864,0.8520253119807699,1.2936024575264058,1.3667798583042357,1.4326299240653693,0.870107440402542,1.03963318295167,398.9600000693372,199.9800000346683,311.3130807452728,399.8830769924135,15.380118345862055,199.9800000346683,0.99999999999946,2.275957200481571E-15,8.753681540313734E-17,-87.66257677718512,242.52132299791472,9.327743192227489,14.276833054640624,399.032493280136,200.0147777982653,311.3701824236235,399.9528584952694,15.382802249818056,200.0147777982653,0.9970623163945902,4.996003610813204E-16,1.921539850312771E-17,-91.60508024954216,242.5511390270876,9.328889962580293,14.277152683900233,463.1974710856466,230.80074658670696,362.12838976475007,461.72426070512415,17.758625411735544,230.80074658670696,-1.5959779122326552,8.881784197001252E-16,3.416070845000482E-17,-90.10913347279289,270.04671346736694,10.386412056437191,14.556346887876245,399.10857586787404,200.0512775343746,311.43011209412896,400.02609513022037,15.385619043470015,200.0512775343746,0.9939792008752022,5.551115123125783E-17,2.135044278125301E-18,-97.31786415061633,242.58243508970185,9.330093657296224,14.277488136926992,531.1277175881295,263.399270265386,416.2063988427101,527.1315541505686,20.27429054425264,263.399270265386,-4.3291770573574695,1.4988010832439613E-15,5.764619550938313E-17,-88.74868829900507,300.7596114989466,11.5676773653441,14.836409413222453,406.5500202276791,203.621278485596,317.29507622978554,407.1892849139988,15.661126342846106,203.621278485596,0.6925367435129033,1.3877787807814457E-15,5.337610695313253E-17,-88.948787005959,245.6614535656203,9.44851744483155,14.31028139599427,388.30626730586187,194.4848728227769,301.55279628220154,389.8963199005083,14.996012303865701,194.4848728227769,2.5017316017314215,7.771561172376096E-16,2.9890619893754213E-17,-90.45631509361665,228.32196610904182,8.781614081116993,14.119967588716152,0,11.889999999999997,15.997936804262851,-0.3166092458701998,0.26262284013197146,4.339701568603525,7.467032351877542,25.0,67.0,65.0,65.0,23.0,2.0,2.0,0.0,0.0,2.0,51.66269399999998,3.6095582732296436,3.5358825059018244,3.4764627816561675,3.422525418085622,3.2584439784679273,3.1994881392991745,2.9969202625453875,2.863869591247031,1.914763559956722,1.9129295984824228,1.8478699792753883,1.744922640301039,1.7351339822065863,1.5354378440290946,1.4842559157979567,1.4365909682265268,3.5509557374102156,3.525078146349977,3.4941479796843673,3.3409472877782425,3.278106975726231,3.185651747329248,2.9557694043933833,2.8868472153256484,1.8676975295346818,1.8576071162040602,1.8158630389371966,1.7026413715212552,1.6707172803230894,1.5416035702555781,1.424114435950197,1.3673765781623295,3.7059506496626455,3.6633961019738117,3.6270935750057536,3.5299979274201223,3.4351308504330027,3.3590100555401183,3.1699989096388568,3.0823935768316777,1.6810105200244017,1.672896786686208,1.6292990148786048,1.480397765178187,1.4538816075657346,1.3090359686188484,1.1529060766251131,1.104600621911711,3.556167668406198,3.5425888311883127,3.5068154598457184,3.33750934020928,3.299497931113228,3.179670400938993,2.966919648052482,2.913578040167903,1.850543862757581,1.8255132816958932,1.7896318405790526,1.6904493268937664,1.6296070806108227,1.5361023800184208,1.3904622296932299,1.319766742838018,3.7390030661306426,3.7160915148768345,3.6814184459460484,3.5600505205052952,3.50302430035512,3.4043291909196074,3.2332414840816917,3.1654502367072066,1.6342928282115716,1.6182823353943594,1.5827999367932448,1.4323826239904094,1.3890188218706851,1.2753954716065765,1.0831833825009816,1.0247359151361237,5.157160339964341,5.1551556121964195,3.598061247323569,3.595936227050728,3.4711245122063885,3.457031240302288,3.3689475288597235,3.1880766154230935,1.7633803837339481,1.76249685232842,1.676991830147556,1.5385582896875567,1.533736917741426,1.2585444137220108,1.2169835006916845,1.1776140196850422,0,0,2,0,0,4,16,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5773502691896258,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.8164965809277261,0.8660254037844387,0.8164965809277261,0.16666666666666666,0.1767766952966369,0.16666666666666666,19.296836162110203,12.7019072626078,9.314791437730163,6.244800481421252,4.174085816274887,2.784857719275891,1.8138831691766624,1.2826090892049635,0.7421860062350079,0.508076290504312,0.3582612091434678,0.24979201925685007,0.17392024234478695,0.1210807704032996,0.08244923496257556,0.05830041314568016,17.36091522321331,11.015167193676996,7.183581048034255,4.533683017500119,2.819805486832119,1.7316889586853539,1.0334114254387514,0.6113145015257123,0.6677275085851273,0.44060668774707984,0.2762915787705483,0.18134732070000475,0.11749189528467163,0.07529082429066757,0.04697324661085234,0.027787022796623286,36.237580297170766,66.96722505462503,63.631372549019495,64.56000000000009,40.69060239520964,522.9541353293413,0.5329055926054524,0.9848121331562505,0.9357554786620514,0.9494117647058836,0.5983912116942594,7.6905019901373715,6.3542000000000085,107.13800000000008,213.4953239792074,332.48932540131443,426.9906479584148,16.4227172291698,213.4953239792074,3.3306690738754696E-16,1.2810265668751807E-17,-92.65928953062338,252.77620665304065,9.722161794347716,14.384511800336588,852,0.0,0.0,4.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,18.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,33.64733108719399,-0.27962076005768344,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.330259372089235,1.17,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.410857633516518,0.0,17.55476537268051,0.0,0.0,0.0,0.0,0.0,0.0,-0.27962076005768344,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.206914789959768,10.440416297234218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.220208148617109,-0.13981038002884194,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2350764311358535,0.585,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.205428816758259,0.0,0.4033167481868778,0.0,0.0,0.0,0.0,0.0,0.0,-0.13981038002884194,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.603457394979882,5.220208148617109,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.603457394979884,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5875868055555555,0.585,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.205428816758259,0.0,1.29283815941169,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.603457394979884,5.220208148617109,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,55.333333333333336,2.128205128205128,0.5875868055555555,11.603457394979884,-0.009203196017423476,-0.13981038002884194,10.406313934479275,1.8064770466955087,4.603457394979883,26.116377441421008,1.8064770466955087,4.603457394979883,26.116377441421008,12.33332,0.47436,0.0,0.02564,0.49804,0.81795,0.43,0.49804,0.81795,0.06804,0.0,-0.06804,0.0,0.57994,0.13435,0.0,0.13513,0.08108,0.0,17.0,0.65385,14.0,0.53846,3.0,0.11538,-11.0,-0.42308,0.0,0.0,32.07718,1.23374,41.09407,9.01689,0.3468,10.58676,0.40718,12.70189,2.11513,0.08135,0.21211,0.00816,0.21211,0.00816,0.0,25.04,4,4,4,4,0,0,0.9090909090909091,1.1965094976219797,1.7965760667574806,3.0269376526924003,3.771142620598473,3.9002708419385668,3.8990401366454366,81.36264583829461,122.16717253950868,205.83176038308324,256.43769820069616,265.21841725182253,265.1347292918897,0.19655306797342545,0.29512723339900854,0.497241253315097,0.6194933289849693,0.6407054866124599,0.6405033161310583,4.89095334362836,4.29088677449286,3.0605251885579396,2.316320220651867,2.187191999311773,2.1884227046049034,0.19587537155463183,0.2941096625657208,0.4955268124258118,0.6173573744824611,0.638496394593416,0.6382949211767442,10.599107168449896,18.034900975722966,23.041806526313874,24.438433449437785,24.971116057096747,24.323277193965907,95.25344753429682,69.43584537874376,53.328978559358454,45.599411588078304,44.00407207456991,45.76214364229736,26.0,21.301775147928993,21.1968,26,3,8,3.44,3.3571999999999957,0.04347826086956522,4.159228588714289,0.3563483225498992,0.0,24.829104354569882,6.892485436744457,0.0,0.19999999999999996,0.0,0.0,0.14285714285714285,1.0690449676496974,0.14285714285714285,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.7630000000000001,0.7480000000000002,0.989,0.12,11.932,26.0,25.0,24.0,23.0,22.0,22.0,20.0,19.0,18.0,250.0,3.332204510175204,3.4339872044851463,3.4011973816621555,3.367295829986474,3.332204510175204,3.295836866004329,3.4011973816621555,3.2188758248682006,3.1780538303479458,3.1354942159291497,5.676753802268282,1.164,0.4782608695652174,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.0,0.84,23.0,0.92,2,12.0,23.0,0.9166666666666666,2.5,1.1111111111111116,0.625,0.40000000000000024,0.2222222222222223,0.24489795918367346,0.15625,0.12345679012345678,0.10000000000000006,0.049586776859504134,0.1,0.04273504273504276,0.025,0.016666666666666677,0.009661835748792274,0.011131725417439703,0.007102272727272727,0.006172839506172839,0.0052631578947368455,0.0027548209366391185,0.24516110622449283,213.4953239792074,332.48932540131443,426.9906479584148,16.4227172291698,213.4953239792074,3.3306690738754696E-16,1.2810265668751807E-17,-92.65928953062338,252.77620665304065,9.722161794347716,14.384511800336588,52.60000000000001,418.95610987051396,5.700439718141093,4.634728988229636,5.3230099791384085,6.037870919922137,6.739336627357174,7.459914766241105,8.168202930236053,8.892199092039693,9.605148899895818,10.331659563179363,118.19207176623938,3.9318256327243257,0.0,5.043425116919247,0.0,6.285998094508865,0.0,7.590346945602565,0.0,8.93075873555827,9.240384493324559,370.3083098240012,5.445710438588253,50.46823604938993,1.9410860018996128,10.986907824448618,10.986907824448618,0.0,2655.0,25.0,7.899999999999999,102.0,1.247029850746268,2.14867492038725,2.8725263566952055,3.6487097990104465,4.936820004473748,5.936221126530374,7.202352391728645,8.266509395065745,9.523618369991315,10.674948967165724,93.34054129523884,96.70126948686064,97.16567018975631,137.085973592599,175.1594797557927,215.62875607008772,272.4470971450163,288.2483850240224,329.64900849418973,392.9428737421483,298.466867610721,346.9348328169534,367.8831785512404,509.6252844353314,652.5764908408424,795.4165293444103,937.6957673240661,1063.7372335076714,1231.1767590198128,1480.1530139175902,9.402047023582094,15.997587479311438,21.011987430629336,27.156409930902388,36.75791654548242,44.39826817374314,53.65780969426427,60.83678006486162,71.75693737590345,79.8748103370007,2.1381116575411947,2.714214719562548,2.970197751308001,4.024226672174225,5.180552432760058,6.279693490997751,7.501919376283759,8.542192081079607,9.698747704736512,11.701406404278272,179.61438174265487,333.9912511353024,472.6549950801266,590.0339295990482,808.4389928190664,969.2785010142325,1180.7215620565976,1353.169895808838,1575.6633499400048,1726.8784293413453,2.9859689054726357,4.961860963409908,5.605479463485856,7.9239001933016215,10.860915746316063,13.482069735294093,19.043371428946198,17.445910767056304,22.332887739439034,25.98908410940803,0.46672287313432786,0.6104170571808071,0.6781350214567582,0.9269915064766889,1.2044501647655028,1.4673428962167283,1.7415781305197318,1.978727039286556,2.287958637103268,2.7104442384764535,871.4708971469556,1718.5077652654788,29.06053192571406,247.5773078628089,-488.21312043655456,-33.842246702683354,623.8935892841467,2206.7208857020332,62.902778628397414,0.7787608194584894,1.5356869861119915,0.025968972378147458,0.2212391805415109,-0.43627532598767244,-0.030241991856274027,975.2179431705495,1923.0930300156751,32.520136088099264,277.0509419650261,-546.3340160867422,-37.871105426135415,0.1325835035322765,0.160048315291661,1.1508019801503482,1.9143576099043746,1016.7007695863392,102.34743542342517,0.9085406375120972,0.09145936248790296,1854.86644186618,43.06816041887765,12.286764889682054,2261.72195730126,47.55756466957975,13.126423285328146,3489.9308977948035,59.07563709173862,15.168371005746163,5.554676836359214,5.554676836359214,24479.290089851587,24308.151051019933,237.8069313689557,1.0070403972096624,102.9376643857035,102.21800900036011,9.403742140907816,15.21405122617789,29.215129263624867,0.9202728339284263,11.740275359456055,19.01966701814778,9.12133910211171,84.20463608483772,27.81787610026225,3.323551993690167,21.611975857370545,18.194528558384786,53.370987258865604,1.581604395613564,13.134111321737635,37.68092959980038,11.50249124313251,25.86253215146886,2.708591765035089,33.78924311333784,8.890428776046662,23.65196095246168,3.2063453061965737,3.374092181908382,51.116954608954856,2.184016629335985,21.745689932428597,0.5209584600347907,2.877007354340263,37.363431392821596,7.160993414385752,19.86780544091288,0.2127278921346709,8.33312002939623,1.0182949979767792,19.3212135898738,0.7957223385238514,20.56802974355771,0.3366621256733161,3.3772651884736566,3.9134073154965794,1.0954546995194954,14.304292409534948,0.04823486802303393,9.723895833442606,4.050878469830893,2.891386134362193,6.988833159020225,0.11442563698008272,12.460796014284277,0.7269341563523825,6.873683140860637,0.9087586859416638,0.4838286594572936,11.222274128742091,0.1949111786526826,7.834171420838488,0.0056791942596558275,1.2753490922880537,5.873470216842962,0.3505390893263353,7.221308340378569,0.00474950455006381,3.135304153956671,3.1923455094364113,18.75907492494017,2.0340377016676645,23.98581570219474,2.1804618752548346,3.022476468762769,5.94998132336106,2.7259657561926884,17.45183829777874,0.21133568862786636,9.305116163311078,7.643489547441904,2.5145298415408615,8.082496495235524,0.4437028068040953,15.879689472827803,1.6206423262379783,7.048983210062333,0.7358079209851158,0.7222963939389331,17.204346154423412,0.5728261507316722,8.012055568062909,0.04313685408014881,1.4971396663623577,10.316295953182347,1.2958566940008875,7.44713371997473,0.023933942370811295,3.9555961347669135,11.092092453746993,19.32075270116787,9.573388130544092,80.60077265033672,25.111746454917444,3.503277739724321,22.539688688709468,17.555258593884478,53.935652498166476,1.4347176656516933,13.284599199520786,35.866431829514994,11.318716773194305,26.140518069515913,2.47895467951957,32.83654142418999,9.424594408262168,25.16221360802994,3.451056674583471,4.226705345519504,48.977896787781184,2.1297069662063173,23.254043993679964,0.4655021659198304,2.7867806691943975,35.69793361351944,6.587271142074476,21.515194444748214,0.19176946963089747,8.00680597926999,4.689766430492619,18.545504969348304,2.738947638611704,28.67664898456473,4.4915286025163494,2.8963677523247675,7.3483426525722155,4.135221982856002,20.220713603535458,0.3678051851269474,9.387001587950165,10.977949322750232,3.1432517728538403,9.532940886165365,0.7292027774692584,18.551101691271445,2.1423724948212066,7.587431926232065,0.7438613485882981,0.7052169315415826,21.893780905414282,0.8218968799304412,8.486553108111387,0.08895944820872735,1.681408361034617,13.857109379315215,2.076723396124348,7.843785263186257,0.0440124118479167,4.589956874369209,14.17812881774112,19.210787898138605,12.078291167774228,113.77409256095562,40.54367862422577,3.5125854888375136,28.04547795018301,25.48743035305651,69.86388369496582,2.185701897466952,14.838555851474311,49.97810769517507,15.871864415278207,33.765287506774186,3.639312414752756,39.35109928717125,12.347441136595515,31.985666391294775,4.516802790953152,4.890085877204399,63.05224640270872,2.6981949632413174,28.26782119456826,0.7536087915211902,3.369275998933032,47.40112921410458,9.466203487846165,25.728917202589006,0.29968791614287293,9.844479876469125,7.684657310143732,19.516170260735905,8.208919473282824,65.86354591188241,13.647263798163301,3.859370695561854,22.397204084931346,15.97562849264094,55.411529397889396,0.7484829087412891,12.478791116645848,30.514791742227914,24.920486916921856,30.5922905353025,1.36674780684274,27.53820526253427,13.974747530292756,27.76992482616082,5.758808955134497,4.853039515742494,40.66261717334831,1.9894124236532764,28.336242314601243,0.21928866410070316,2.14090580851899,29.803393402453842,3.744659454561067,26.93503392342148,0.09602739826302864,5.903089456732184,79.15802902008456,0.8671249706256412,0.4863990044117645,0.983188450294588,0.01077019307624309,0.5799769296642955,0.6083413034281312,0.5882270428160046,80.51155299512196,107.56405881780405,221.46199258144975,0.974782675441882,1.7765452759084313,65.5570998447107,0.5520073262515339,0.08996781576257384,0.9903023547966064,0.008338595763796253,0.39793214877604005,0.24458172013484508,0.020124911795947192,66.19907498672481,42.13569137626898,111.59052162601658,0.9854535321949095,0.6626387807068324,73.9390750882652,0.6132953118897113,0.24727128780498908,0.9884950438227403,0.008199174461933688,0.5060687562179638,0.3044872088826278,0.15202220005977163,74.7996416879599,63.78114875485524,149.79367495696272,0.9827425657341105,0.9625781651603632,77.55216721123938,0.8711246494043117,0.4662015907249896,0.9830481071480869,0.011042340510670351,0.5566985358248757,0.6142815245961496,0.540389788878216,78.88949345136868,104.11866788775768,214.50362400974544,0.9745721607221303,1.711369849299241,77.17404271382411,0.6617201937275219,0.32455031241178867,0.9873814412262694,0.008466191683051084,0.5512854585234874,0.35446916279435514,0.2618928820881194,78.16031321996341,76.32924366378353,171.06356971873285,0.981072161839404,1.167647503405962,79.41674432372803,0.9054264979499891,0.5150041189412697,0.9824284975577801,0.011200620242049404,0.5837721563049798,0.6632055617373027,0.6594487311473635,80.83717494061928,113.27227350709119,231.14134734058882,0.97364274633667,1.906426449189646,77.84168063359772,0.8842693789346612,0.4694173180426314,0.9829069964240866,0.011165670527716217,0.5608658077866286,0.6330015249836897,0.5478704130674218,79.19536733057501,105.78833890434291,217.29511533612336,0.9743604946361301,1.74173774583774 +UMLCN0380,L,dioctyl sebacate,CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC,Esters,,C26H50O4,BioCompoundML (2016),Unknown,PubChem,,70,0,-3.4412000000000025,11.841857440000018,104.1494,82.30764999999992,0,0,80,30,50,0,26,0,4,0,0,0.0,0.0,0.0,0.0,0.0,4825.542350000021,5076.413117000002,6263.458296000012,6547.6934570000285,6538.452952000028,6567.742577000031,6233.6676860000225,5278.4095930000285,4865.946912000029,13431.18977488655,17294.096571215454,23541.480071661917,26171.841862327456,26276.820545229904,25739.473749859622,24932.446830836387,22913.87270161347,20755.605045273554,585.3834799999997,589.5167720000004,1119.4340640000005,1532.3111240000019,1591.8100960000017,1568.4850760000022,1469.233640000001,1482.3244360000022,1304.9871840000023,97.31486124244972,127.85795549999983,187.49831774947043,216.44671152792085,215.8891769582228,210.21031128731678,203.19757048063863,192.2795199925246,175.50291249082667,13284.34100276245,11492.457546204992,23790.8328590764,34569.74260185647,35618.710613253694,35323.78540436018,32406.439468685727,33464.630556930795,29827.05429016107,238.1111111111111,179.91666666666669,322.33333333333337,393.36111111111103,438.8333333333333,435.24999999999994,455.66666666666674,430.58333333333326,354.99999999999994,60.31927937500026,64.25839388607598,41.206962473684285,31.031722545023833,30.270615518518646,30.83447219248841,31.483170131313244,26.260744243781236,27.033038400000162,167.88987218608187,218.91261482551207,154.87815836619683,124.03716522430074,121.65194696865696,120.84259976459917,125.92144864058781,113.99936667469387,115.30891691818641,7.317293499999996,7.46223762025317,7.364697789473688,7.262138028436028,7.369491185185193,7.363779699530527,7.420371919191925,7.374748437810956,7.249928800000013,1.2164357655306215,1.6184551329113903,1.2335415641412528,1.0258137987105254,0.9994869303621426,0.9869028698935061,1.0262503559628213,0.9566145273259931,0.9750161805045926,166.05426253453064,145.47414615449358,156.5186372307658,163.83764266282688,164.90143802432266,165.83936809558767,163.66888620548346,166.4906992882129,165.7058571675615,2.9763888888888888,2.277426160337553,2.1206140350877196,1.8642706687730382,2.0316358024691357,2.043427230046948,2.301346801346802,2.142205638474295,1.9722222222222219,0.5876313567859635,-0.32614610939127125,0.06468304702259471,0.019824119921861696,-0.06827631922004611,0.009049438409719088,0.048551429930813655,-0.056022050242621295,0.10358190998454314,2549.823235950005,8.670868224380257,-382.2749264549941,231.44394160687898,-254.1356812149927,191.54984080812926,-642.6756903762399,-605.8950665993651,39.00278326250225,3911.721895678906,-207.0559282984313,-1169.2357988356416,52.701673076808675,-197.31463807654504,582.6425040720325,-839.4517038034692,-247.19141975623907,155.1644734708731,4.276798200000006,0.0897578774999723,1.6658800199999726,-0.05238875249999961,-1.0548177400000478,-0.9359407075000447,-1.230227945000061,-1.6220545775000348,-0.427584549999997,17.379548160918777,-1.6132640210191087,-5.532009035214341,-1.1031982643425642,-0.6703273662673701,2.6747835411079484,-3.341332813615896,0.7838719960537517,0.6624646982275515,96.06497285466858,-9.940801851786368,-29.738728917153225,-8.417056241633542,-3.757582120504989,14.177104915636194,-17.96075612250999,6.874838926694651,3.329973438252635,81.31111111111093,0.6233333333333344,21.986666666666725,-1.8122222222221844,-17.473333333333258,-11.069999999999943,-17.253333333333266,-30.856666666666868,-4.799999999999972,0.007345391959824543,-0.0041284317644464715,4.2554636199075465E-4,9.395317498512653E-5,-3.160940704631764E-4,4.2485626336709335E-5,2.4520924207481644E-4,-2.787166678737378E-4,5.754550554696841E-4,31.87279044937506,0.10975782562506654,-2.514966621414435,1.0968907185160142,-1.1765540796990404,0.8992950272682125,-3.24583682008202,-3.014403316414752,0.2166821292361236,48.896523695986325,-2.620961117701662,-7.6923407818134315,0.2497709624493302,-0.9134936947988196,2.7354108172395892,-4.239655069714491,-1.2298080584887516,0.8620248526159617,0.053459977500000075,0.0011361756645566115,0.01095973697368403,-2.482879265402825E-4,-0.004883415462963185,-0.004394087828638708,-0.006213272449495258,-0.008069923271144452,-0.0023754697222222055,0.2172443520114847,-0.020421063557203908,-0.03639479628430488,-0.005228427793092722,-0.00310336743642301,0.01255766920707957,-0.016875418250585333,0.0038998606768843366,0.0036803594345975084,1.2008121606833573,-0.12583293483273883,-0.19564953234969226,-0.03989126180868977,-0.01739621352085643,0.06655917800768166,-0.09071088950762622,0.03420317873977438,0.018499852434736862,1.0163888888888866,0.007890295358649803,0.14464912280701792,-0.008588730911005614,-0.08089506172839471,-0.05197183098591523,-0.0871380471380468,-0.15351575456053168,-0.026666666666666512,-0.5620437666263198,0.05793378546962108,0.012790763991765356,-0.04303297525741932,0.005783983559908513,0.03338273075364567,-0.0379444241230655,0.07834232109288689,0.0034436214739151775,-0.0789063833431549,0.03441464343256212,-0.03691405939394646,0.028215133177517105,-0.10183723402685822,-0.09457607175006091,0.00679834197700039,-0.05360219744858475,-0.15731876625096067,0.005108153782102769,-0.018682180771755024,0.055942848498739504,-0.08670667665608513,-0.025151237051841798,0.017629573381854162,0.021252827211844783,0.20500826012663426,-0.004644370202742457,-0.09134712903616875,-0.08219397078194994,-0.11622287812401808,-0.15095261256225634,-0.044434543995500224,-0.0940004348473204,-0.1675293094956082,-0.024067036701678295,-0.014285146691679925,0.05780435298228468,-0.07767943375436158,0.01795149397798001,0.016941105260140178,-0.10478985719226054,-0.1629310051610005,-0.033220234700145346,-0.014487039763951597,0.05542846765459488,-0.07554128154065706,0.02848337138783643,0.015406116826972321,0.007763067311052024,0.14231671005883184,-0.008450240852588215,-0.07959065925723466,-0.051133804741540105,-0.08573297887318099,-0.15104037070727394,-0.026236676687619476,1.619620601628667,0.951839957836931,0.9906460156583575,1.3107212985239307,1.3973947853840254,1.4084605621444628,1.3124003080565725,0.9393410626776457,1.2057159938204762,1.1624589798877722,0.9588546208819192,1.0804672963007251,1.007635088092398,1.1786915959644273,1.132170097464275,0.9696507784286751,1.4652195407853625,1.3221173628761969,1.004529421105553,0.9992383480548969,0.9065842426992403,1.0900781978780694,0.9705550553204091,0.9518337920009255,0.7169597106545724,0.6986297599919491,0.9459156636342894,1.4042428723639286,1.4137374593910546,1.531901315306104,1.5539005242693287,1.0334454353674611,1.577767089646556,1.3628667146454296,1.0371056610904963,0.9938426215960126,0.9004513258063753,1.0841919508320137,0.9209594022617157,0.949388509310711,1.5963130768872353,1.3620607910147582,1.0458432911653412,1.000827520034038,0.9093891558495233,1.0918118400371322,0.9181967539220472,0.950379656656634,0.5783684066684899,0.49715193970167404,0.8173218280186896,1.2165952420718094,1.202687565678303,1.7145715835590154,1.760278275199573,1.226615878655373,491.4504452024795,246.22522260123947,390.66546640038,492.38377853581216,16.412792617860404,246.22522260123947,0.9999999999994031,1.5265566588595902E-15,5.088522196198634E-17,-102.34728523669355,287.10543623381824,9.570181207793942,16.97954856579434,491.52972802576403,246.26339517107928,390.7243460117141,492.46031952106557,16.415343984035516,246.26339517107928,0.9970623163945049,1.1102230246251565E-15,3.700743415417188E-17,-103.30264643004918,287.13605706718306,9.571201902239435,16.979868509585422,561.613482797389,280.00875244257804,443.12376521410556,560.1239034126381,18.67079678042127,280.00875244257804,-1.5959779122328541,4.996003610813204E-16,1.6653345369377347E-17,-105.69816951870249,315.3551023339023,10.51183674446341,17.261097938659486,491.6129361168096,246.3034576588426,390.78614181029303,492.5406500376268,16.41802166792089,246.3034576588426,0.9939792008756001,3.885780586188048E-16,1.295260195396016E-17,-106.45211280354519,287.16819748530827,9.572273249510276,16.980204294158533,635.6577272571283,315.66427509988546,499.097539646317,631.6171620035949,21.053905400119827,315.66427509988546,-4.329177057357356,1.27675647831893E-15,4.255854927729767E-17,-102.88336060292369,347.14029746592513,11.57134324886417,17.549187041091443,499.7499202707395,250.22122850712626,396.83445569682243,500.3962878980184,16.67987626326728,250.22122850712626,0.6925367435129886,2.1649348980190553E-15,7.216449660063518E-17,-101.29915831232219,290.3285811715659,9.677619372385529,17.013039960298375,505.108525219032,252.8346940651102,401.45269599844346,506.6763254125543,16.889210847085145,252.8346940651102,2.3137362637364447,1.27675647831893E-15,4.255854927729767E-17,-102.88336060292369,273.4081275981048,9.113604253270159,16.83289695513691,0,11.889999999999999,15.997940853876091,-0.3163246702701288,0.26266269783970975,4.457323371887213,9.01878480800291,29.0,79.0,77.0,77.0,27.0,2.0,2.0,0.0,0.0,2.0,60.40834999999998,3.6236111447225583,3.6073027838996987,3.5151779186245173,3.4537319376428393,3.312664008272683,3.2025093005779692,3.1776318437769002,3.005483288565507,1.9325069949635096,1.9256116994221888,1.911398383674865,1.7700664301189404,1.7223223959166105,1.717324759835892,1.547169199337542,1.449534424431206,3.5918966661429197,3.579342689936653,3.537195547262468,3.4182516050931757,3.2619837901787987,3.2333418983038382,3.1750174090835954,2.9352161743101615,1.8932228877581503,1.8816077751331364,1.854075797739352,1.7399620898393813,1.6577060630369067,1.644981685923755,1.5399312256489446,1.3919905496771081,3.7303166692301377,3.7146092552510415,3.6588371622505256,3.572218571730347,3.440555133327352,3.3932054574123085,3.350728376661735,3.161951272092811,1.7166842278055594,1.7067986289218167,1.6794659326429424,1.5426421573855802,1.4314727505564064,1.4208901385865922,1.308073621607342,1.1045431661389635,3.60019394059355,3.5899691955452715,3.5559046869559747,3.419452579001764,3.2742409234484398,3.258555830006979,3.1728317191498587,2.925519140179015,1.873709626644763,1.8593657379040474,1.8177259493902544,1.7249438749520785,1.623763103680453,1.5986352816843517,1.5328959304929821,1.371201109739296,3.7689786055992442,3.75520924507439,3.715680034000056,3.6101331039744253,3.4914217701948176,3.4675941059751105,3.3986620474683704,3.2091457962151755,1.672544250718516,1.6608435472628456,1.6260679354126852,1.5009478654177109,1.3686099448788902,1.3508075240627297,1.2688438667001032,1.0477377147506644,5.116569100713621,5.116553749076646,3.634269961675863,3.6335120688215294,3.533874978857601,3.390628266226006,3.384772959676739,3.3009455638762377,1.8044548625952874,1.8013107012838325,1.7833144544704929,1.59895142601059,1.494251889067098,1.4919458683968567,1.3162019227804191,1.1296217343223467,0,0,2,0,0,6,16,2,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.985598559653489,0.0,0.0,0.0,0.526099420661621,0.0,0.0,0.0,1.8020951405812153,1.9653177559052977,2.0298697419539815,1.0302567583920095,1.026614062654729,0.9121821841495752,22.451536700489452,14.565610567764075,10.896719021046376,7.86582751498929,5.112590865130759,3.719970567160192,2.4650040669651716,1.2832438424052441,0.7483845566829818,0.502262433371175,0.34052246940769926,0.23835840954513,0.15976846453533622,0.11272638082303613,0.08216680223217239,0.05132975369620976,20.51561576159256,12.878870498833269,8.82035018621686,6.058400334901915,3.607930032595553,2.3892489555227594,1.384903683167503,0.6542221813195929,0.683853858719752,0.4440989827183886,0.2756359433192769,0.18358788893642167,0.11274781351861103,0.07240148350068967,0.046163456105583436,0.026168887252783716,42.404891512314336,78.51857246904605,74.53333333333319,75.60000000000002,47.884820359281505,615.067155688622,0.5300611439039292,0.9814821558630756,0.9316666666666649,0.9450000000000003,0.5985602544910188,7.688339446107776,7.62640000000001,125.46600000000011,260.9912547439359,412.58151942085885,521.9825094878718,17.399416982929058,260.9912547439359,0.0,0.0,0.0,297.72763533246115,9.924254511082038,17.08853727954239,1020,0.0,0.0,4.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,18.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,34.61139562018389,-0.08886281237563276,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.561002069777567,1.0761728395061727,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.731972903738807,0.0,17.70884855736662,0.0,0.0,0.0,1.0366457310863164,0.0,0.0,-0.08886281237563276,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.7261499271931,10.885245692990793,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.4426228464953965,-0.0444314061878166,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24755600837829686,0.5380864197530864,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1700173243585184,0.0,0.5348853943583606,0.0,0.0,0.0,0.5183228655431581,0.0,0.0,-0.0444314061878166,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.86307496359655,5.4426228464953965,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.863074963596551,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5709524983563445,0.5380864197530865,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.195969127510885,0.0,1.2142821650743503,0.0,0.0,0.0,0.5183228655431584,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.863074963596551,5.4426228464953965,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,62.0,2.066666666666667,0.5709524983563445,11.863074963596551,-0.11251645837335711,-0.0444314061878166,12.760981391322526,1.7110980728544833,4.863074963596551,28.68673704784539,1.7110980728544833,4.863074963596551,28.68673704784539,14.33332,0.47778,0.0,0.02222,0.48833,0.80222,0.43043,0.48833,0.80222,0.0579,0.0,-0.0579,0.0,0.59557,0.11872,0.0,0.18605,0.13954,0.0,19.0,0.63333,16.0,0.53333,3.0,0.1,-13.0,-0.43333,0.0,0.0,42.16081,1.40536,51.98252,9.8217,0.32739,12.46983,0.41566,14.56558,2.09576,0.06986,0.34842,0.01161,0.34842,0.01161,0.0,29.04,4,4,4,4,0,0,0.9230769230769231,1.1668750678823046,1.8782308649180788,3.2516094970590275,3.984183719779188,4.312814895472354,4.312814895472354,93.35000543058436,150.2584691934463,260.1287597647222,318.73469758233506,345.02519163778834,345.02519163778834,0.18457582091545363,0.29709778990321517,0.5143382601407082,0.6302165510236122,0.6821992959648169,0.6821992959648169,5.155053027005057,4.443697229969283,3.0703185978283343,2.3377443751081737,2.0091131994150073,2.0091131994150073,0.184054049756915,0.2962579341882672,0.5128842946725157,0.6284350131259239,0.6802708097999208,0.6802708097999208,10.207359362553364,18.943374657982655,23.52937891586153,25.916511800516854,26.247714525676013,26.24771452567602,110.31429268762562,73.98414257900693,58.32938285042764,45.9441082326059,42.54096287172933,42.54096287172933,30.0,22.203125,19.43801652892562,30,3,10,3.8800000000000003,3.9207999999999936,0.43445769711393706,8.515200107573436,1.9534122692026485,0.0,24.363726757997764,12.95142691096373,0.0,0.8022839832235757,0.0,0.0,0.09090909090909091,0.8528028654224417,0.09090909090909091,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.7990000000000002,0.788,0.9110000000000001,0.08999999999999997,13.472000000000001,32.0,33.0,32.0,33.0,30.0,25.0,24.0,21.0,20.0,309.0,3.4657359027997265,3.6109179126442243,3.6375861597263857,3.6109179126442243,3.6888794541139363,3.6109179126442243,3.4011973816621555,3.367295829986474,3.1780538303479458,3.1354942159291497,5.8522024797744745,1.1229773462783172,0.4782608695652174,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.0,0.7931034482758621,27.0,0.9310344827586207,2,12.0,23.0,0.9166666666666666,4.5,2.000000000000001,0.875,0.8800000000000007,0.6111111111111109,0.28571428571428586,0.21875,0.12345679012345678,0.08000000000000004,0.09917355371900827,0.15517241379310345,0.06250000000000003,0.026515151515151516,0.02750000000000002,0.018518518518518514,0.009523809523809528,0.00875,0.0051440329218107,0.0038095238095238117,0.0049586776859504135,0.3498272111269597,260.9912547439359,412.58151942085885,521.9825094878718,17.399416982929058,260.9912547439359,0.0,0.0,0.0,297.72763533246115,9.924254511082038,17.08853727954239,52.60000000000001,488.1400483739812,5.906890595608519,4.812184355372417,5.53338948872752,6.282266746896006,7.02197642307216,7.7752758464868625,8.521384396034705,9.276408971945887,10.025572433086365,10.781390824005488,129.0298494856274,4.07753744390572,0.0,5.231108616854587,0.0,6.535241271013659,0.0,7.906547232368036,0.0,9.315510869581722,9.601368432286577,426.37091008000135,5.329636376000017,58.14745365439394,1.9382484551464647,11.01192159941695,11.01192159941695,0.0,3785.0,33.0,9.632000000000001,122.0,1.2474303797468347,2.1501862748639975,2.885881404479988,3.609533583419895,4.610897231759884,5.606149543959615,6.623748864813168,7.673391897059082,9.067896770373475,10.183198592332738,91.65157979069626,97.73202411831255,101.52422590019908,130.0307649894386,165.47371604512148,202.35322348402465,201.85382797780437,242.7436044277854,269.2136043906089,287.0923051004086,298.7210117409914,355.5299831136604,386.9297767042302,492.96504197402595,614.7805184773391,770.3469720779203,824.4430730159343,980.4083733498046,1148.3490307077466,1235.8211652066684,9.357586954177226,15.90986879583695,21.027991382576424,26.72679697962379,34.150888416131295,41.8535574604702,49.10627364054734,56.04193260413141,66.41765426160566,73.48187381902208,2.1539045366012677,2.781307105156679,3.122951411967195,3.930146619967532,4.880687881122186,6.122755916575026,6.729802991110492,8.049990914973522,9.522686962643803,10.424694799124017,179.36706277080776,333.1468638345728,469.0903301984938,585.4806529706435,755.2297942624646,906.6379573194722,1092.2100929069236,1253.8424105211454,1480.0693911373235,1669.9385649895682,2.912543248945147,4.714332372491058,5.488329366977638,7.4683197868103095,9.761095626933335,13.182794527130323,14.460082943943915,15.827972600558184,18.427869973721243,18.531718603284375,0.4662549683544299,0.617548875929632,0.7048263179890607,0.9008957610131927,1.125050341846594,1.4157827887029417,1.551444017848388,1.8220468962154124,2.1497034218022812,2.3301300859179648,910.5575457453681,1979.5717649646076,28.36432220883163,267.78290280083854,-582.1658125856002,-31.60021850413462,642.7746429445295,2561.737577550208,59.964540712966254,0.7727457263041261,1.6799658939035242,0.024071415221149795,0.227254273695874,-0.49405569782812353,-0.02681756239728664,1072.9467868807299,2332.6094814578014,33.42282815426379,315.5394257993453,-685.989524730383,-37.23581564632012,0.12026495796718124,0.14504210605331075,0.6770085635135947,0.5948113690695103,1092.6137890436773,85.72665950252926,0.927247970136054,0.0727520298639461,2103.192718450779,45.8605791333993,12.812278091920277,2587.5445225401586,50.86791250425123,13.728695642692275,4301.65287477922,65.58698708417104,16.263416611720697,4.917530857354237,4.917530857354237,30073.895008924417,29889.564160859838,472.00587943281425,1.0061670637642137,63.715085593981804,63.32455900078327,10.523710525738709,15.21610739243753,29.211006417214616,0.9197423929679025,13.971480365528633,23.596671651440836,12.689504445631469,95.03261347722221,35.19871999739909,20.833757128220398,30.586538292683798,33.086188474392536,62.459847371084365,13.653111822954532,20.43896808341894,42.40016774875821,19.03136477836621,31.500327216598233,6.587691063061108,37.9587811364902,18.13607401755092,16.78005292545637,16.632907195775818,5.719159197441355,62.11524031906406,10.506257457558723,17.931655254782335,6.3187218935153755,6.532451332498505,61.553670917138476,11.497980126942956,24.670326256332288,2.7886411397802133,6.580588251936962,1.2055445285663586,23.120632992240452,1.088785482973503,29.34604641282595,1.6412710389669625,6.71791536271222,7.409316091526506,2.8290412579757835,15.07181803790436,1.8333201194200484,10.225487862752,5.709366716031056,1.5607565755682358,7.491605445217121,0.4883077925634393,15.15519245245106,2.317208713588067,2.703555309734371,3.5425357464088165,0.145250673542324,14.953411109437019,1.6001253680316636,3.705115816000088,1.513198994936852,0.30206806426047184,12.120152885605203,0.4648258023277937,10.804290051039178,0.09417469833692253,0.8493502665198429,3.7968098492767517,22.610461417596213,2.8820972538084835,33.27174858951594,3.9228572982341374,8.464297633365343,9.196282189094314,6.244279036952866,19.381531432865387,3.19486190152941,10.764176010215149,9.839239517143314,3.318966650339708,9.664714264028012,1.044459792057843,18.271091162416177,3.592937172750444,4.479331224619644,4.675726586338595,0.6894417881956969,21.826098506015633,2.086418777244878,5.588270773921581,2.0707369764974937,1.087913332161848,19.21789204295134,1.7660360375618547,10.592005426886363,0.39063321263013484,1.4939612721955728,13.198167942325277,23.812387872556787,13.138152818914593,91.52001899771983,32.34001798529676,20.013833755991346,31.39453919467638,31.014689419721375,62.60344893109029,13.169532039814495,20.022508191857234,40.37947808751361,17.865131525556585,31.337702189750644,7.303846176051351,37.011252538417565,17.600163223424616,15.858860768656655,16.475311354320016,5.167945789685906,59.46206630069222,10.101507553840856,16.758357811023508,6.022335152789761,6.09264018063427,58.75150329772191,10.634776192872344,26.208565421547,2.5410853291070654,6.774771232169245,5.580635680710043,22.46426290030088,3.94154693500059,38.32583731460098,6.656498828812967,9.97803928662765,10.844773149417746,9.239483611390503,23.03813140998977,4.287289971276368,11.630941914514363,13.568875177134165,4.925447748645437,11.67922473900582,1.2927443871281368,20.88681877241488,4.936351249011287,5.941421304723578,5.754630422231508,1.2392529045195921,27.3522165786901,2.9220311967226804,7.194499162938877,2.61341379114801,1.7429439722832596,24.924778484172553,2.90393131712472,11.01345105980722,0.6677744226420808,1.9343936350914868,16.87263213737713,24.146757973401236,16.644199675637324,124.51174335551862,50.7468341186611,25.62663564965479,39.79990375735695,44.747228224482846,81.82254786851136,18.284735372947928,24.423561111242655,55.526353170227665,26.223592497401636,40.72122085176116,9.492508530644715,44.6310071498207,24.473390218029756,21.930965284162315,21.798051370229675,7.998473993813992,76.315129881401,14.081720221346067,22.83420833651195,7.966557888305022,8.805329884425309,76.84796561673797,15.664572589776942,31.147368460233594,3.834393577693884,8.827677219540549,9.171425056570548,22.862099427270493,10.783070157831835,75.47673628211217,19.5133863120207,15.484718120243619,32.197218926849644,22.357441507002232,59.50548112754159,11.955864784407105,16.300223074754808,34.01603778148217,11.670983128311418,33.075955498612004,6.717598248556373,29.598696869711038,17.183029920319285,11.54014472271957,17.75827782533435,2.662120259454126,42.22322835059812,14.11391997832937,10.933276482443814,5.607176874827615,4.081154044739631,47.41082047801727,5.965755162293851,30.755797094492,1.4110770306999572,7.33009192279357,78.28589570103222,1.225859335960413,0.7556165405460747,0.9753140555425767,0.015272199797600531,0.6015078206026323,0.38681137178806085,0.42000393318021606,80.2673715775387,156.04789339293282,308.82989239288,0.9629710833138649,1.4083231255709092,69.76818695193623,0.769561394704032,0.33727908340505647,0.9843832091747471,0.0108580048940877,0.4777861548828093,0.16471938159982324,0.07038336031450448,70.87502743004531,77.48181036451506,166.46565643217093,0.9765748137621206,0.712888896797137,74.73238633401243,0.9244934839911223,0.4898132164706779,0.9814265512512604,0.012140953824121715,0.5481061972868297,0.22035982729713818,0.171575454493473,76.14669303447424,106.14734386069352,216.135038157416,0.9721398268768906,0.940041479077441,77.39978927268751,1.2094706852920656,0.7447236510089901,0.975373708446318,0.015241461490473512,0.5879642011094742,0.38007731315814114,0.40082074889847236,79.35398360898857,152.1549512521202,301.2245833138264,0.9630605626694769,1.3688622631660876,76.67042355527114,1.0115788860386383,0.56163657389135,0.9798933756183766,0.01292857667116057,0.5769069336839977,0.2603248025189707,0.23280124069224986,78.24363901520113,121.18723535630848,242.99038579186708,0.9698400634275649,1.0700329768952184,78.52546854071439,1.2643960466038646,0.7908518383267991,0.9744945444009905,0.015691049952013914,0.6052013255360107,0.41258581405518097,0.45931103156430686,80.58071642564505,162.38925306932242,321.491506880311,0.9617418166014858,1.4770981711554985,77.58654343335019,1.2215638726827174,0.752345399879788,0.9751898184911181,0.015353908017568814,0.5908131434062381,0.3886884837468851,0.40793813308423177,79.5604527059127,154.0678354694357,304.9332667969036,0.9627847277366772,1.387439760237355 +UMLCN0381,L,dipentyl ether,CCCCCOCCCCC,Ethers,,C10H22O,NREL (2014),IQT,PubChem,,111,0,-1.7562999999999998,3.084589689999999,40.310500000000005,33.071445999999966,0,0,33,11,22,0,10,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1720.9626189999976,1804.7968819999994,1884.5506809999977,1714.2116159999957,1517.4548869999962,1320.698157999997,1036.1815009999987,859.6694439999999,675.1054830000003,5135.402171938114,6517.799778297688,8234.34921752947,8035.728227778524,7028.929882823399,6022.131537868276,5191.462020770066,4715.61307804361,4081.8196662596565,236.56308400000015,236.97980000000007,446.794036,558.5892,495.70429999999965,432.81939999999975,369.65483599999993,294.24539200000015,311.9820600000001,38.31368790667801,49.48785482000002,68.425139151886,70.96354581856399,61.94201695916809,52.92048809977208,45.64052659237606,42.76738129758406,39.08120729637604,5521.583191235979,4689.737555233801,9729.998006822689,13058.901804414567,11579.94664937597,10100.991494337373,8633.061852615278,6834.555906431786,7574.6125756841775,60.25,66.0,108.75,122.5,110.25,100.0,81.75,61.5,61.25,52.150382393939324,56.39990256249998,30.894273459016354,21.977071999999946,21.992099811594148,22.011635966666617,20.31728433333331,20.46832009523809,15.002344066666673,155.6182476344883,203.68124307180275,134.98933143490936,103.02215676639133,101.86854902642607,100.36885896447126,101.79337295627582,112.27650185818118,90.70710369465904,7.168578303030308,7.405618750000002,7.324492393442623,7.1614,7.184120289855067,7.213656666666663,7.248134039215685,7.005842666666671,6.932934666666669,1.1610208456569096,1.5464954631250005,1.121723592653869,0.9097890489559486,0.8977103907125811,0.8820081349962013,0.8949122861250208,1.018270983275811,0.8684712732528009,167.32070276472663,146.55429860105627,159.50816404627358,167.42181800531495,167.82531375907203,168.34985823895622,169.27572260029956,162.7275215817092,168.32472390409282,1.8257575757575757,2.0625,1.7827868852459017,1.5705128205128205,1.5978260869565217,1.6666666666666667,1.6029411764705883,1.4642857142857142,1.3611111111111112,0.19592894325825919,-0.03573087246987175,-0.07812716898689065,0.00339988954560286,0.00955037467600689,0.022094515302492033,-0.038587144089234936,0.00435820622931225,0.011313384367477766,961.7462182424237,-23.277426053261223,-372.1357151753916,0.9068690027545685,0.7754297961430652,0.6439905895315619,-87.24737661708008,-163.46735412672203,8.63537130578554,1566.919921982583,-163.3999281584979,-613.7830281423273,-9.133234404704499,-9.417934194473592,-9.702633984242684,166.1414940829011,-293.5040483589231,-14.588212674511315,1.159840242424241,0.06258982552800908,-0.23720578145086932,-0.08237536088154188,-0.08918911294765747,-0.096002865013773,-0.38248061707988784,-0.008298490358127741,0.05949276033057666,6.949992823922971,-1.0865281913561935,-2.597624745710688,-0.1357966966170811,-0.14202334124518118,-0.1482499858732807,1.5870907214986183,-1.2600666032917744,-0.1271910815867791,38.130881807322915,-6.501206483183874,-13.931160149080624,-0.9466668016018595,-0.9926088269117747,-1.038550852221685,9.94102043896841,-6.7407143356827754,-0.7726092658594442,8.060606060606053,-0.34664830119375545,-2.278696051423324,-0.6280991735537176,-0.7024793388429736,1.2231404958677683,-2.3360881542699707,-0.34986225895316797,0.37190082644628103,0.005937240704795733,-0.0011165897646834922,-0.0012807732620801746,4.3588327507728975E-5,1.3841122718850565E-4,3.6824192170820054E-4,-7.566106684163713E-4,1.0376681498362499E-4,2.5140854149950594E-4,29.14382479522496,-0.7274195641644132,-6.100585494678551,0.011626525676340621,0.011238112987580654,0.010733176492192697,-1.7107328748447075,-3.8920798601600484,0.19189714012856757,47.48242187826009,-5.106247754953059,-10.062016854792251,-0.11709274877826281,-0.13649179991990712,-0.16171056640404474,3.257676354566688,-6.988191627593407,-0.3241825038780292,0.03514667401285579,0.001955932047750284,-0.003888619368047038,-0.0010560943702761778,-0.0012925958398211227,-0.00160004775022955,-0.007499619942742899,-1.9758310376494622E-4,0.0013220613406794814,0.21060584314918093,-0.03395400597988105,-0.04258401222476538,-0.0017409832899625782,-0.002058309293408423,-0.0024708330978880115,0.031119425911737615,-0.030001585792661295,-0.0028264684797062022,1.1554812668885732,-0.20316270259949606,-0.2283796745750922,-0.012136753866690506,-0.014385635172634414,-0.01730918087036142,0.19492196939153744,-0.16049319846863752,-0.01716909479687654,0.24426078971533496,-0.010832759412304858,-0.03735567297415285,-0.008052553507098943,-0.010180859983231502,0.02038567493112947,-0.04580565008372492,-0.008330053784599237,0.008264462809917356,-0.18806543648829677,-0.21571860157962702,0.007341512610819541,0.023312382648846573,0.062022400643241174,-0.1274347303799269,0.01747727945404144,0.04234434040992035,-0.02495964648688104,-0.20932686555534386,3.989361642829241E-4,3.856087204251225E-4,3.6828304340998043E-4,-0.05869966920488078,-0.13354732563440824,0.006584487159009025,-0.10753974951077555,-0.21191035454320756,-0.002466023091207863,-0.002874575359063564,-0.0034056933072759755,0.06860804958346535,-0.14717428789774858,-0.006827421413111549,0.05565055877079157,-0.11063975403831033,-0.030048202281953748,-0.036777188059055686,-0.045524869569288175,-0.2133806442111627,-0.0056216728698901975,0.037615546216290735,-0.16122062651333943,-0.20219767689257007,-0.008266547897863246,-0.009773277239750829,-0.011732025384204639,0.14776145545826297,-0.1424537199160705,-0.013420655559419101,-0.1758251807461693,-0.19764896335365303,-0.010503635337483054,-0.012449907743957971,-0.014980061872375296,0.1686933185134315,-0.13889727429403181,-0.014858825745491043,-0.044349154135338346,-0.15293356341673867,-0.03296703296703292,-0.041680287675710956,0.0834586466165414,-0.1875276426360018,-0.034103114930182615,0.033834586466165446,1.2530071169311858,1.6371504742640508,1.1369704744385363,1.2559904482767217,1.3901212813660653,1.785398163184374,0.2685156412130516,0.2127495766541824,1.4012326926148713,1.3764506167046155,0.9731676254444718,0.9833429268167542,0.9965708186007216,1.0717226620745508,1.0550064425885732,0.8056412834312742,1.6024113211966688,1.3487072850523014,0.9368709804964979,0.9258076604241058,0.911425344329996,0.821438611963014,1.2041343690964164,0.9195207909463544,0.9357668067556226,1.5754906937677493,1.215336963134206,1.3548932453493252,1.5363164122289799,1.9330640619175836,0.17137072796441552,0.13086491953646276,1.7013098333912828,1.3510436373793555,0.9377674401958758,0.925768967977042,0.9101709540925579,0.731837647941143,1.2136406784938878,0.9267801544862416,1.7228823861823839,1.3550879595711587,0.9421094558618336,0.9320102837768893,0.9188813600664616,0.7196917603078008,1.2015965207475536,0.917582797661768,1.1475563909774447,1.4643165290274882,1.1197223828802787,1.2370055573716912,1.2571428571428582,1.6346749226006208,0.42534908700322277,0.3528822055137848,77.77475653057053,39.012378265285236,61.53308098299522,77.97930198511594,7.089027453192357,39.012378265285236,0.24999999999995026,3.3306690738754696E-16,3.027880976250427E-17,-39.20200710910989,2000031.7969479207,181821.07244981098,15.95954100055898,77.79089121190532,39.02007839550205,61.547041661206656,77.9948357766225,7.090439616056592,39.02007839550205,0.24926557909876834,4.996003610813204E-16,4.5418214643756407E-17,-38.75599549019091,2000031.7900140565,181821.07181945967,15.959540996745417,92.09315142053191,45.84707847123695,74.10990826091238,91.76670139302988,8.342427399366354,45.84707847123695,-0.3989944780580217,6.106226635438361E-16,5.551115123125783E-17,-38.53525772518255,2000028.2905088891,181820.7536826263,15.959539072046486,77.80782484172164,39.02815982097027,61.561694280953525,78.01113876917347,7.091921706288495,39.02815982097027,0.24849480021889292,3.3306690738754696E-16,3.027880976250427E-17,-39.20200710910989,2000031.7827492023,181821.0711590184,15.95954099274981,107.26920897959543,53.093457357628125,87.70129212441216,106.38369549059064,9.671245044599148,53.093457357628125,-1.0822942643391826,4.996003610813204E-16,4.5418214643756407E-17,-38.75599549019091,2000026.9252747258,181820.62957042962,15.95953832117806,79.4643875441041,39.81876086499118,62.99821242841589,79.60604278709539,7.236912980645037,39.81876086499118,0.17313418587825424,4.996003610813204E-16,4.5418214643756407E-17,-38.75599549019091,2000031.1284658872,181821.011678717,15.959540632899648,78.19182974872803,39.28514960607979,61.616489432075696,78.4958403377007,7.135985485245518,39.28514960607979,0.4095238095237974,1.6653345369377348E-16,1.5139404881252134E-17,-39.96446900772584,2000036.0306001822,181821.4573272893,15.959543329028241,0,11.889999999999997,15.994917142939306,-0.38064782195847985,0.051150495979401016,5.065319080293021,6.915542785089625,10.0,32.0,32.0,32.0,10.0,0.0,0.0,0.0,0.0,0.0,25.966553999999995,3.4927806479473413,3.3717239673622217,3.093451023166448,2.8309757420783255,2.4261287480180385,2.132339608787094,1.719113977153891,1.5224457309026407,1.8762419803258144,1.8369515487822652,1.577169928124772,1.475738567161747,1.143733496466456,1.0400663528085057,0.7622784736057708,0.7107249830547554,3.4791903960639368,3.4037431077027196,3.0666237291845397,2.8766536559651485,2.419674192819318,2.2009484007414124,1.7585475768066288,1.6203977662123334,1.833125558176219,1.7703111676086571,1.5327481941953982,1.3870204531748964,1.0679031818488736,0.9233187772681731,0.6416655925088758,0.5690240336312788,3.6369211629776594,3.543576632053117,3.2814136208131526,3.074986979155857,2.7083568803325333,2.492141128275135,2.1430387405618645,2.020007199347098,1.6296036813667785,1.5712734993559883,1.2610505026814338,1.113857568007396,0.7071048771165652,0.5476966403556187,0.18144785788553863,0.0933782486298859,3.4914622900413943,3.4272857411520445,3.0768201469285383,2.9102123971542255,2.4432618361313976,2.251041483339445,1.8091423326810714,1.6910041349935934,1.8079653835587755,1.7276031270031535,1.5029263325591555,1.3294132477039307,1.016576074335092,0.8461984249129652,0.5611357745258236,0.4739778217530126,3.6878749654009795,3.6110027812474494,3.3461527911395743,3.1692882008059353,2.8089851281665315,2.6260020353275,2.2944934861094093,2.1953600833430604,1.5766356579090843,1.5083119842852428,1.1948123039494993,1.0252562865575785,0.6067224274531196,0.4203022837560158,0.03146491437197344,0.0761839211007799,3.6764797349741873,3.465551475475359,3.333406823929934,3.002772913617505,2.7176328238693706,2.354685313119328,2.039759698786659,1.810005532531424,1.7178173939183583,1.6751256731104702,1.3130609069957717,1.2132866026727498,0.8034602637354915,0.7061916797191716,0.3715620520076226,0.3193721431417385,0,0,0,0,0,4,6,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.36396103067893,5.414213562373096,3.474873734152917,2.2071067811865475,1.3838834764831844,0.8535533905932737,0.5151650429449552,0.30177669529663687,0.7603600936980844,0.5414213562373096,0.3860970815725463,0.27588834764831843,0.19769763949759778,0.1422588984322123,0.10303300858899105,0.07544417382415922,8.065102539956245,4.991563831562722,3.0265859980688896,1.7844570503761734,1.010310363079829,0.4927992798267445,0.2974306762213551,0.174230856264669,0.7331911399960223,0.4991563831562722,0.3362873331187655,0.22305713129702168,0.144330051868547,0.08213321330445741,0.05948613524427102,0.04355771406616725,16.67490494606147,32.09686817188638,30.329411764705892,30.759999999999987,19.264338922155694,254.72263233532937,0.5053001498806506,0.9726323688450418,0.9190730837789665,0.9321212121212117,0.5837678461259301,7.7188676465251325,3.383400000000002,49.86900000000003,41.63839022652778,66.32546526588186,83.27678045305557,7.570616404823234,41.63839022652778,5.551115123125783E-17,5.046468293750712E-18,-41.17294252526076,2000029.9561581695,181820.90510528814,15.959539988140248,150,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.437777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.982777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.438656620055429,0.0,9.623565602166792,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.437777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.437777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2277777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2193283100277146,0.0,0.9697959183673469,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.437777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.437777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2193283100277146,0.0,1.3132716049382716,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.437777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.5,1.7727272727272727,0.45,5.437777777777778,0.01722222222222214,0.9697959183673469,6.5560582801083385,0.5302040816326531,1.937777777777778,4.752868795666415,0.5302040816326531,1.937777777777778,4.752868795666415,5.33333,0.48485,0.0,0.01515,0.45657,0.7697,0.42571,0.45657,0.7697,0.03085,0.0,-0.03085,0.0,0.62992,0.08437,0.0,0.1875,0.0,0.0,5.5,0.5,5.5,0.5,0.0,0.0,-5.5,-0.5,0.0,0.0,11.08355,1.0076,12.33112,1.24757,0.11342,4.90492,0.4459,5.41421,0.50929,0.0463,-2.1E-4,-2.0E-5,-2.1E-4,-2.0E-5,0.0,10.01,1,1,1,1,0,0,1.0,1.064794829694994,1.4802344037721662,2.7253236644196415,3.180461543469759,3.0074462118168293,3.1804615434697587,35.138229379934806,48.847735324481484,89.93568092584817,104.95523093450205,99.24572498995536,104.95523093450204,0.21108478134345593,0.29344146566415047,0.5402677903300404,0.6304942611966748,0.5961957255233888,0.6304942611966747,3.9795992896634593,3.564159715586287,2.319070454938812,1.8639325758886942,2.036947907541624,1.8639325758886947,0.21295896593899882,0.29604688075443325,0.5450647328839283,0.6360923086939518,0.6014892423633659,0.6360923086939517,9.101528875984172,14.08680376491024,18.509305911709824,17.63562041462186,18.793636077068317,17.63562041462186,41.1198975147443,31.783186383599066,26.45728619825245,27.49073111869611,25.577574771339304,27.49073111869611,11.0,10.0,10.0,11,0,5,2.45,1.5763000000000014,0.09999999999999998,3.9493066279781983,0.0,0.0,9.658117896693065,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.296,0.29000000000000004,0.31200000000000006,0.05400000000000002,5.1240000000000006,9.0,8.0,7.0,6.0,5.0,4.0,3.0,2.0,1.0,66.0,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,4.204692619390966,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.8,10.0,1.0,0,5.0,10.0,1.0,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.0,0.05,0.02469135802469137,0.015625,0.01142857142857143,0.009259259259259259,0.00816326530612245,0.0078125,0.008230452674897117,0.010000000000000002,0.0,0.14521040669354163,41.63839022652778,66.32546526588186,83.27678045305557,7.570616404823234,41.63839022652778,5.551115123125783E-17,5.046468293750712E-18,-41.17294252526076,2000029.9561581695,181820.90510528814,15.959539988140248,9.23,190.30653166002787,4.459431618637298,3.6635616461296463,4.290459441148391,4.9344739331306915,5.579729825986222,6.2324480165505225,6.884486652042782,7.5406215286571525,8.195609567288775,8.853236764745898,77.17462737568007,3.044522437723423,0.0,4.04305126783455,0.0,5.176149732573829,0.0,6.371611847231857,0.0,7.601402334583733,7.954372272531867,158.167065324,4.792941373454545,20.82876222801817,1.8935238389107427,2.9633883476483183,2.9633883476483183,0.0,220.0,8.0,3.858,38.0,1.2335625,2.1185903961125203,2.8457197017683473,3.600079703705177,4.87706877102963,5.866019082639421,7.13126071481949,8.112722700612991,9.418441819954557,10.548250271065049,81.03112600587497,72.68842599092814,76.13001899724071,101.27520345827656,127.30636832047736,140.5932658973292,166.05479207961957,139.58877058010833,139.59605095256813,121.56317995808938,275.5757575994674,305.1783558549263,322.6403603317317,428.430081197146,536.7219480613843,662.4735007322606,862.3331354901943,797.6869570194295,853.8057141038352,853.0807360431055,9.196593588500003,15.572859178329848,20.461392096858308,26.196018648238574,35.42782232059516,42.889727354644315,50.11749689367112,56.42836053956461,65.31381412534822,72.89952503922353,2.0313035292081243,2.490843877321772,2.744847365600786,3.6009189047641077,4.561455259800495,5.64181664094774,7.650935651959739,7.455615996412193,8.18976125920313,8.531026809343349,178.88111971169656,334.6087935960348,472.9406640796919,591.8886673159809,813.323968610775,981.7532080918079,1148.9071154339176,1351.7456132154189,1583.9206957563545,1792.0663096365574,2.640234375,3.870545074415654,4.616556215359353,6.215089885696286,8.534907150590612,9.86274199403962,10.72338985800404,11.371620874406537,13.104611784589936,14.803753101446652,0.4398768750000001,0.5555509902447147,0.6189937038925183,0.819023163925109,1.050254964484834,1.2735956147279148,1.6339265170747825,1.6080896451387423,1.774211588674178,1.8602726516281345,521.069040838919,408.99102174726244,15.11052994344288,188.1448462105071,-147.67630938930552,-14.809326246901591,332.9241946284119,556.667331136568,29.919856190344472,0.7347135333273656,0.576682195901163,0.02130602660123857,0.2652864666726344,-0.20822534934233985,-0.020881325813448866,369.5493998744859,290.06211230169237,10.71659767656587,133.43493770927023,-104.73408940710303,-10.502979832148167,0.0717489888500447,0.48492478057303084,1.0824939935135507,5.4688024485557944,697.9362566464318,11.277630402994387,0.9840984072521294,0.015901592747870757,692.0123509718088,26.306127631633828,8.84513804454497,905.1271447711366,30.085331056365934,9.673193228780068,1121.5220056048577,33.489132649336526,10.389690244142745,3.3780653437811017,3.3780653437811017,2404.459192892451,2372.5198762335463,65.31487834112522,1.01346219139357,36.81334565662804,36.32434043346751,5.346896393246982,6.773216465673424,13.502285589564382,0.9934820713310722,6.135812367304955,8.35374056102446,6.22589806748482,32.430386819211016,10.858862080051919,0.9520909313211762,12.183649824945224,12.246597169193821,13.41198057317074,0.6372290737713273,8.469840345145014,4.165510818629392,5.086548337057451,4.019071700053651,4.447305413578018,8.278629403173714,4.057815553357463,5.34995500039231,0.2395596808875872,4.739796609741042,7.839876917887093,3.9172495321128036,1.3542460059475627,2.1445061929819142,0.1745284116057167,2.4488417132529054,3.489019167732681E-11,1.1745695032126445E-43,7.626589588008703E-98,9.551199945191048E-174,0.5149364532818402,8.607443524346614,0.5586638671108307,6.937185823178435,0.08090019836436561,0.8210971790342599,1.1663941470884238,0.3758783550535726,2.745429473750444,0.04155880601052652,3.9031026594352305,0.030227125634630862,0.23838467612901687,0.048796684890567196,0.0928059798421465,4.187630766462889,0.11192017219948298,0.21521244319121915,0.005739012587465092,0.061375601505922056,2.1286649400679654,0.16827081342933176,0.13102202398320345,0.015225677198603016,0.014646857172044616,0.01724739241668135,2.457344727898865E-13,8.272589050137093E-46,5.371469405861818E-100,6.726988217056824E-176,1.6622769548169456,8.134998199590948,1.2949203951691046,9.099765508112359,0.80833550994416,0.8097445011661051,2.67865758331326,1.6179393790946675,3.6593770225637945,0.14201093375136062,4.121729823740134,0.30764324393126247,0.8116320206633126,0.3445352445541636,0.4843694006147187,4.728696239425994,0.511938939585086,0.7717835848780299,0.027065708622120908,0.4197932390871799,2.786073806982774,0.6489414321964426,0.38005940089842505,0.15752302112822988,0.047281908294150646,0.17973112679127026,2.5607426687450102E-12,8.620675610211193E-45,5.597485263376067E-99,7.010040375690946E-175,5.79170643104808,8.606806124904933,6.848532543625915,30.28870704407516,9.678094778143103,0.9478201000215722,12.628887199360703,11.102085564790084,13.720012499400859,0.5932850412720347,8.4281476714894,3.712674441255224,4.65052326258296,3.593937851774869,4.004803915078958,7.924175859529979,3.6728255784785704,4.861719424705255,0.21590551701213803,4.242348166679513,7.310395702725748,3.587066227777842,1.2791316160505783,1.9107350080115248,0.1647405127780211,2.181873878682569,3.1086532637450784E-11,1.0465202809505394E-43,6.795154017286258E-98,8.509947195731437E-174,2.4498902765055446,7.955487696219748,1.6416587340922675,11.405116033683292,1.744935340485424,0.8141487727055194,3.5855715770147283,2.8212407009693496,4.334417130731173,0.21724414547027662,4.392729230789512,0.6661401785317475,1.3267293648057015,0.7003694071418595,0.9008189554254765,5.1874137966929,0.9069176462248502,1.299800413423874,0.049544846176678474,0.8429631106071782,3.3883103339899443,1.0634032076278312,0.5512083700955541,0.3420057633221004,0.06968490203255383,0.3904000242550024,5.562275259921359E-12,1.8725259377188882E-44,1.2158485965132086E-98,1.5226744424056083E-174,7.409882040374209,8.514231459985012,8.518199825903386,43.32026574553398,15.822212451125516,1.0245984283283052,16.296777239230206,16.958604274131492,18.203867049129304,0.808424215385313,10.682184752875864,6.072930426140161,6.900164905840798,5.7998851279728765,6.285435695078548,9.709101812128115,5.646108559523125,7.355110974077405,0.3377450785217324,6.8212430682115315,10.004507924677453,5.254076904904217,1.63262135585539,3.127479220468584,0.2107686687667673,3.571405492783448,5.088406552628968E-11,1.7129992325462883E-43,1.11226641552256E-97,1.3929527483267526E-173,3.922039425862121,8.794724114898974,6.086110323865831,18.532238506611023,4.253373679113937,0.8070630257264676,10.023610903857694,5.488337613918731,11.182629434430954,0.3430975788302487,6.606936027992867,1.631030451543351,2.4237574346449846,1.6234811030955068,1.8934259700925615,6.3369509800683845,1.7968106750939308,2.451286740033856,0.11028115684953922,1.922598421192351,5.407312200955029,1.8875744371877754,1.0712710272431631,0.8378766776455808,0.13634979811182407,0.9565787942394162,1.3628981123955786E-11,4.588162121924393E-44,2.9791365578158997E-98,3.7309374785902533E-174,17.57690630461383,0.7575142085724681,0.501764009090909,0.9331457909549542,0.04021590506700389,0.5813313798417733,0.6022354560278249,0.6060455303948976,18.836184522277204,22.51430860954693,48.03135861717098,0.8997186864324312,1.789612366264496,14.895144238429555,0.3132158620483354,0.10544699749439296,0.9726610857206003,0.02045316752682673,0.4174729274395039,0.10296088088956387,0.02676545776798741,15.313807097972283,6.269071352382928,22.074830391940843,0.9589916285809004,0.5471992660970553,16.469280966852725,0.49482182247933615,0.26901801941750564,0.9556760583080794,0.02871341923327702,0.51037356109178,0.256970011001535,0.1742083555432371,17.233120808749565,12.713008956523403,32.1384543505579,0.933514087462119,0.9415519276365522,17.3395525834997,0.7414266691894937,0.486950989148835,0.9338441257404934,0.03993049626602326,0.565737107001977,0.5769273945571478,0.5707905101040215,18.567930241838027,21.660557449096828,46.48873287838933,0.90076618861074,1.7134550116631462,17.04678831065882,0.5776869001299046,0.34318942499985544,0.9487481348413233,0.03215147387486569,0.5467943611555058,0.3502432651235779,0.2835136893132506,17.96766463578858,15.896239809869975,37.243533107072146,0.9231222022619848,1.1805513155923344,17.656516797846947,0.7888111389952863,0.529320393253224,0.9305319651085266,0.0415718449835069,0.5866093149323802,0.6530265273588972,0.6744402678864622,18.974648330095455,23.691145363213064,50.0379866403384,0.89579794766279,1.9140761101777395,17.499958436843606,0.7458402646097282,0.49138941877888603,0.9339692980905353,0.03980534644920267,0.5762526366959354,0.583816553375996,0.581243139903618,18.737188120232222,22.017966050258387,47.16885418492447,0.9009539471358029,1.7413123299755495 +UMLCN0382,L,dodecyl acetate,CCCCCCCCCCCCOC(=O)C,Esters,,C14H28O2,BioCompoundML (2016),Unknown,PubChem,,77,0,-2.8983000000000008,8.400142890000005,51.443000000000005,44.91420399999996,0,0,44,16,28,0,14,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2560.0834879999975,2646.6598830000007,3050.0325949999997,2667.592972999996,2466.8637159999976,2276.203370999997,2079.4466419999953,1882.6899129999956,1685.9331839999963,7232.363022485372,9203.016585593941,11983.073704796103,12283.780716153122,11522.610930548724,10702.315052179178,9695.516707224051,8688.718362268903,7681.920017313765,320.387648,319.8815400000001,601.2016040000009,793.8903080000018,728.7088960000015,706.1347800000011,643.2498800000006,580.3649800000002,517.4800799999997,52.780169335772044,68.66406068,97.4172062344329,105.9693228410538,100.37644358765779,94.0225921573558,85.00106329795983,75.97953443856392,66.95800557916805,7323.7178135439735,6268.993594286201,12904.070116061233,18273.380332159344,16819.300808900658,16449.851566007557,14970.896410968962,13491.941255930367,12012.98610089177,124.77777777777777,96.58333333333333,173.99999999999997,192.58333333333334,171.33333333333334,165.08333333333334,152.83333333333334,140.58333333333334,128.33333333333334,58.18371563636358,61.55022983720932,37.19551945121951,24.250845209090873,24.184938392156837,22.99195324242421,23.104962688888836,23.24308534567896,23.415738666666616,164.37188687466755,214.0236415254405,146.13504518044027,111.6707337832102,112.96677382890907,108.10419244625432,107.72796341360056,107.26812792924571,106.69333357380229,7.281537454545455,7.439105581395351,7.331726878048792,7.217184618181835,7.144204862745112,7.132674545454557,7.147220888888896,7.164999753086422,7.187223333333329,1.1995493030857283,1.5968386204651164,1.188014710176011,0.9633574803732163,0.9840827802711548,0.9497231531046041,0.9444562588662203,0.9380189436859743,0.9299722997106673,166.4481321259994,145.79054870433026,157.36670873245407,166.12163938326677,164.8951059696143,166.16011682835915,166.3432934552107,166.56717599914035,166.84702917905236,2.8358585858585856,2.246124031007752,2.121951219512195,1.7507575757575757,1.6797385620915033,1.6675084175084176,1.6981481481481482,1.73559670781893,1.7824074074074074,0.2974427149729279,-0.15944310374586357,0.06522922374481693,-0.05147906989634471,-0.013410201448550815,0.006911058459269729,6.192805504726532E-4,2.147097344108663E-5,-1.4068124735540583E-5,1374.7290021818199,-19.32038258677847,-312.58695342975363,-124.4645282727281,-88.65806178512474,13.91071499999963,11.526498264462578,9.142281528925412,6.75806479338836,2133.8080800908238,-153.9399496466449,-836.5188146982531,21.936734201664006,-151.1439970977317,10.111499417203113,9.79378297572891,9.476066534254024,9.158350092779138,2.1713847272727267,0.04829038016529084,0.8385811900826462,-0.40790618181818095,-0.07912350413223276,-0.04134545454545608,-0.06033930578512505,-0.07933315702479413,-0.0983270082644632,9.46904372500801,-1.0478744358809748,-3.958818611616969,0.6774772027049994,-0.6734089517959938,-0.039038853741000926,-0.039776682310004544,-0.04051451087900461,-0.041252339448004674,52.243247362526034,-6.305078058978985,-21.452737247101382,4.520768978420982,-3.684177580297263,-0.3831893424250121,-0.395060078824375,-0.4069308152237414,-0.4188015516231043,41.131313131313156,0.46510560146923885,15.2931588613407,-5.042929292929274,-1.5165289256198369,-1.060606060606065,-1.4655647382920156,-1.8705234159779662,-2.275482093663917,0.006760061703930179,-0.003707979156880548,7.95478338351426E-4,-4.679915445122246E-4,-1.314725632210864E-4,6.980867130575485E-5,6.880895005251702E-6,2.650737461862547E-7,-1.9539062132695253E-7,31.243840958677723,-0.44931122294833653,-3.8120360174360197,-1.1314957115702555,-0.8691966841678896,0.140512272727269,0.1280722029384731,0.11286767319661004,0.09386201101928278,48.495638183882356,-3.5799988289917417,-10.201448959734794,0.1994248563787637,-1.4818038931150166,0.1021363577495264,0.10881981084143233,0.11698847573153115,0.1271993068441547,0.04934965289256197,0.0011230320968672288,0.01022659987905666,-0.0037082380165289175,-7.7572062874738E-4,-4.1763085399450586E-4,-6.704367309458339E-4,-9.79421691664125E-4,-0.001365652892561989,0.21520553920472751,-0.02436917292746453,-0.04827827575142645,0.006158883660954541,-0.006602048547019547,-3.9433185596970635E-4,-4.4196313677782824E-4,-5.001791466543779E-4,-5.72949159000065E-4,1.1873465309665008,-0.14662972230183688,-0.2616187469158705,0.04109789980382711,-0.03611938804213003,-0.003870599418434466,-0.004389556431381944,-0.005023837224984462,-0.005816688216987559,0.9348025711662081,0.010816409336493927,0.18650193733342318,-0.04584481175390249,-0.014867930643331735,-0.010713192531374394,-0.016284052647689062,-0.023092881678740323,-0.0316039179675544,-0.5485126200438075,0.11767323630921137,-0.06922888651151551,-0.019448426505434203,0.01032663226508263,0.0010178745855605538,3.921173471421801E-5,-2.89036742391502E-5,-0.01438079343517923,-0.12200919926835237,-0.03621500036012672,-0.02781977687434353,0.004497279092961291,0.004099118386496014,0.003612477523038407,0.0030041764437164493,-0.07382104789336627,-0.21035807222607641,0.004112222538913675,-0.03055540557062919,0.0021060936936689633,0.0022439092445555,0.0024123504734166494,0.0026229020094930867,0.022756636187738887,0.20722739228421247,-0.07514212966405336,-0.01571886696824766,-0.0084626908096744,-0.01358543964646371,-0.01984657711365067,-0.02767299894763437,-0.11323673645910133,-0.22433565571701558,0.02861861122959072,-0.030677874609625833,-0.0018323499359120766,-0.0020536791869347915,-0.002324192715962351,-0.0026623346272468006,-0.12349362084081739,-0.22033899968774295,0.03461323104247704,-0.030420258197687938,-0.0032598734383666376,-0.0036969463563504435,-0.0042311465894418,-0.004898896880805953,0.011570795449353516,0.1995094398389958,-0.049042239685657935,-0.015904888477984526,-0.01146037982973154,-0.017419777341191923,-0.02470348541075461,-0.033808120497707976,1.6013036801068756,0.9160505647677726,0.9759583248410527,0.7270068221345221,0.7101777574491109,0.7634520188326861,0.8265477858472682,0.9043805776057046,1.2502684814768152,1.203158034781312,1.0002829463739726,0.9594697406135068,0.9120433565635393,0.9190963450778121,0.9277166643730348,0.9384920634920628,1.5012862824363424,1.361025221200068,0.954181900787974,1.018285757583651,0.9574920969495601,0.9524254213608947,0.9462328178636364,0.9384920634920638,0.7224514294020672,0.7084954704616991,1.0523932193750514,0.6993001776324449,0.711003239714537,0.7716669260552108,0.8458114315827007,0.9384920634920635,1.6073509036281408,1.4012435521136493,0.9274055465233766,1.0209188419220867,0.9595267530292603,0.9539175024860077,0.947061751822032,0.9384920634920625,1.6246167594267267,1.4006769843228295,0.9210869830702866,1.0153800890654119,0.9552468076400118,0.9507788758672259,0.9453180703671544,0.9384920634920648,0.5794449901768169,0.44852300361780606,0.8870333988212175,0.6849972552871831,0.7004747871643742,0.7647143091028155,0.8432292803609104,0.9413729944335292,164.2909081295817,82.3954540647908,132.45025980993006,164.72840812958162,10.295525508098851,82.3954540647908,0.4999999999998863,0.11596549516228633,0.007247843447642895,-3.447140140195145,128.36870548325973,8.023044092703733,7.767850615654041,164.31060468784688,82.40456792302206,132.46276175660856,164.74681945126946,10.296676215704341,82.40456792302206,0.49853115819723826,0.11579459009267634,0.007237161880792271,-3.449499892182994,128.2977096264576,8.0186068516536,7.766965471614204,181.9749517402493,90.58848139206661,144.08230852962166,181.27671140364777,11.329794462727985,90.58848139206661,-0.797988956116086,0.03451207143854512,0.00215700446490907,-5.386313790999998,121.33322350460739,7.583326469037962,7.677665078058263,164.33127721021663,82.41413340532723,132.47588425025597,164.76614311059976,10.297883944412485,82.41413340532723,0.4969896004378427,0.11561522255604778,0.007225951409752986,-3.4519802374440207,128.22355206262284,8.013972003913928,7.766040385680509,201.0637656167846,99.44958854405314,157.5436355271163,199.16975065419106,12.448109415886941,99.44958854405314,-2.1645885286783084,0.18561056002506549,0.011600660001566593,-2.694567301698907,139.4559395024497,8.715996218903106,7.900397928817657,166.356721485298,83.35149492852727,133.76694861665018,166.65970631058497,10.41623164441156,83.35149492852727,0.3462683717565227,0.0980713034832022,0.0061294564677001374,-3.715296765297697,122.42356857972335,7.6514730362327095,7.691979048476864,170.5934951904277,85.4516352673806,139.44809296935316,171.34439851509686,10.709024907193553,85.4516352673806,1.1769841269841237,0.2005107759156916,0.012531923494730726,-2.5710196615429055,198.94561558081048,12.434100973800655,8.468850398137175,0,11.889999999999997,15.995921678270337,-0.3158875311356342,0.30163212505069775,3.721590900591634,7.570988355520629,15.0,43.0,42.0,42.0,14.0,1.0,1.0,0.0,0.0,1.0,33.48379599999999,3.5485121022998456,3.4782096999114573,3.3547380513349445,3.167400849100488,2.9221069249785314,2.635479684384411,2.333727625822773,2.1131273428689696,1.9410856707609192,1.8497459761821717,1.7095788475733722,1.5764783109002816,1.4921568429079382,1.3059359623698465,1.1082098428096867,0.9295732864946011,3.560592862328124,3.4470011910702696,3.29779041610391,3.1658018717984833,2.9483085601026104,2.6650323263977675,2.3633899253782817,2.0938368091080575,1.8840994228148804,1.7957582644212875,1.67016457939108,1.559740443861315,1.416393163845158,1.2186140110077184,1.0128542180485727,0.8271345470113188,3.688329778424953,3.6017459755379213,3.4884063407967916,3.3412910981887882,3.1347446769316583,2.8888338172849726,2.6347482262021704,2.428126349937057,1.7067499679463172,1.5991500916566759,1.4412888744786443,1.3143886241192555,1.1585991019024835,0.9175947711144535,0.6622178224596412,0.42762519068914934,3.5800228394780116,3.4625322619567767,3.2946521851613997,3.165932142682022,2.974326078631696,2.696628472480158,2.3992918275463366,2.1245271990395933,1.8491152116787872,1.7679770451579544,1.6584249009220138,1.535790818691678,1.3671374792110875,1.1618696736497631,0.951154090279083,0.7684229583371477,3.744493320305735,3.650085132896728,3.5248401878191173,3.3999690528611204,3.21665903771088,2.9857407170086687,2.746146639446572,2.5366597345209887,1.6521893167067885,1.5435750093566465,1.3928214615558965,1.2684107210383355,1.080930284061598,0.8245477525123237,0.5537720086142209,0.30905789953201585,5.104946509614117,3.5956586479472494,3.519377986968168,3.3761149136897237,3.171543921639627,2.953478502148648,2.820795881505227,2.582259786176751,1.8158296926306379,1.6985409611284685,1.518267150031646,1.2982170692009791,1.1368777886974313,1.030363079981461,0.800252635882525,0.5845235909929147,0,0,1,0,0,3,10,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.08333333333333333,0.0,0.0,0.0,0.2886751345948129,0.20412414523193154,0.14433756729740646,0.05892556509887897,0.041666666666666664,0.029462782549439483,12.0626316434282,7.770055610029663,5.718055890644904,3.3850278050148317,2.216799420134365,1.4425139025074154,0.9316230147705455,0.5962569512537078,0.7539144777142625,0.5180037073353109,0.38120372604299363,0.26038675423191016,0.1847332850111971,0.13113762750067412,0.09316230147705455,0.06625077236152309,11.094671173979751,6.904030206245224,4.522023851665999,2.803216162902932,1.8053964626237597,1.1516080814514658,0.7259215360152429,0.4508040407257328,0.6934169483737345,0.4602686804163483,0.30146825677773326,0.21563201253099476,0.15044970521864665,0.10469164376831507,0.0725921536015243,0.05008933785841476,23.015187461835907,43.09104151493084,40.85490196078429,41.44000000000001,26.1402419161677,338.7046131736527,0.5230724423144525,0.9793418526120646,0.9285204991087338,0.9418181818181821,0.5940964071856295,7.697832117583016,4.470400000000005,68.47700000000005,86.60958563578808,137.97519014431546,173.21917127157622,10.826198204473513,86.60958563578808,0.037973585570786894,0.002373349098174181,-5.233383164031235,114.94983668659164,7.184364792911977,7.591193328758202,321,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,11.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.356806130989758,-0.15655171390807254,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.326554223351697,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7216445126711943,0.0,13.744767736913785,0.0,0.0,0.0,0.0,0.0,0.0,-0.15655171390807254,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.481866003391872,4.8749401275978865,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.8749401275978865,-0.15655171390807254,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2127482255229508,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4685534750558267,0.0,0.6030092592592593,0.0,0.0,0.0,0.0,0.0,0.0,-0.15655171390807254,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.481866003391872,4.8749401275978865,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.481866003391872,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2530910376153677,0.0,1.4057059228650137,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.481866003391872,4.8749401275978865,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,32.66666666666667,2.041666666666667,0.5591718679159885,10.481866003391872,0.1582728684824506,-0.15655171390807254,8.254802270327438,1.8232183805747393,3.4818660033918727,10.219794337210253,1.8232183805747393,3.4818660033918727,10.219794337210253,7.66666,0.47917,0.0,0.02083,0.4803,0.79583,0.428,0.4803,0.79583,0.0523,0.0,-0.0523,0.0,0.60209,0.1122,0.0,0.17391,0.06522,0.0,9.75,0.60938,8.25,0.51563,1.5,0.09375,-6.75,-0.42188,0.0,0.0,17.60137,1.10009,21.00558,3.40421,0.21276,6.65409,0.41588,7.77005,1.11596,0.06975,0.14395,0.009,0.14395,0.009,0.0,15.02,2,2,2,2,0,0,0.9285714285714286,1.1433201021277661,1.6452221012171488,2.6878785072265208,3.254441845713346,3.6380914939232607,3.8227040633872176,50.30608449362171,72.38977245355454,118.26665431796691,143.19544121138722,160.07602573262346,168.19897878903757,0.209421086661242,0.30135409986649947,0.49233669271553754,0.5961136750212968,0.6663864936971859,0.70020183975514,4.316111516509531,3.8142095174201485,2.7715531114107765,2.2049897729239514,1.8213401247140366,1.6367275552500797,0.209421086661242,0.30135409986649947,0.49233669271553754,0.5961136750212968,0.6663864936971859,0.70020183975514,9.968326343312846,16.17273736056725,19.526733251527013,21.719131982952188,23.293659960502893,23.26618089682945,59.01754857028618,45.72971611622573,40.247540132338074,34.28796023644563,29.830819787971148,29.675299032953003,16.0,13.066666666666666,15.076923076923077,16,3,12,2.78,2.1556000000000024,0.07142857142857142,3.676243118058437,0.5547001962252291,0.0,17.158645119421905,1.7876032804556297,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,7.3500000000000005,15.0,13.0,12.0,11.0,10.0,9.0,8.0,7.0,6.0,122.0,2.833213344056216,2.8903717578961645,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,4.897839799950911,1.0901639344262295,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,0.8,14.0,0.9333333333333333,2,7.0,14.0,1.0,1.5,0.44444444444444464,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.1,0.02962962962962964,0.019230769230769232,0.013333333333333336,0.010101010101010104,0.008163265306122448,0.006944444444444444,0.006172839506172838,0.005714285714285715,0.005509641873278237,0.22307465554635056,86.60958563578808,137.97519014431546,173.21917127157622,10.826198204473513,86.60958563578808,0.037973585570786894,0.002373349098174181,-5.233383164031235,114.94983668659164,7.184364792911977,7.591193328758202,26.3,265.6442381632558,5.0,4.110873864173311,4.762173934797756,5.4510384535657,6.115892125483034,6.807934943699926,7.478169694159785,8.17103418920548,8.84404789894249,9.537122958049878,92.27828806207738,3.4339872044851463,0.0,4.51085950651685,0.0,5.707110264748875,0.0,6.957497370876951,0.0,8.237743803890933,8.569216219483389,228.208930136,5.186566593999999,30.661570267960457,1.9163481417475285,5.2615642115158865,5.2615642115158865,0.0,667.0,13.0,6.142999999999999,60.0,1.2412558139534882,2.1389534936136982,2.8692558175191865,3.633878343801523,4.916318216943914,5.935477420985947,7.251602118259616,8.356316848001446,9.653389274722661,10.793564141429567,87.6865138768837,87.88117795925575,82.79192084227421,110.85866708752444,132.82200315532907,161.35192133014465,190.3916968357925,220.1181606835062,250.5870151580362,282.392096656838,290.81613131424297,333.39349633619486,352.70135361091127,480.4113875128822,586.2889886619456,711.6582579939779,839.0730261936402,962.6288575315253,1084.7384103314005,1200.2287715034163,9.282152578418609,15.753640535347602,20.76413030951234,26.15098801268382,35.205690699496074,42.6298993460867,52.12364196828008,60.268347122967484,69.83675941522688,78.50745202499708,2.114444209228836,2.661138194266671,2.945858327945751,4.021012111209191,5.0014604179429,6.061420027118753,7.176518443405236,8.215141559915374,9.255109463111292,10.191358875504436,178.90300159122825,333.3207479737342,472.91018883127254,584.8519290997301,807.4938615700111,972.694848719465,1196.7390463761026,1379.9471721167615,1602.5246215098073,1796.4181590007365,2.8653565891472867,4.700179903283701,5.120907502790308,6.348201108547983,8.390067292262128,10.353382682480499,12.808430288814808,15.1678415826663,18.023692289426567,21.02680257911067,0.45690174418604645,0.5917326888215838,0.6570282814083055,0.8835114331454507,1.1075065581099544,1.3472945277460993,1.6059333789182062,1.8501521114027095,2.103892234549271,2.3432760698500448,669.3020795055935,773.5486459171136,22.769766560963625,203.2973039024698,-234.96169960882546,-22.929757477011666,466.0047756031237,1008.5103455259391,45.699524037975294,0.767021031909898,0.8864877292210628,0.0260941813550601,0.2329789680901019,-0.2692664057257851,-0.026277531147748667,584.0325818903154,674.9980714634156,19.868884261442396,177.3971020338168,-205.0274342031717,-20.008492236136806,0.22350575944923648,0.2732614448784555,3.746432870067418,2.56811798227287,805.6005349305152,66.99884847754797,0.9232192346780325,0.0767807653219674,1082.6371437984642,32.90345185232796,10.268199730135937,1353.8741540885178,36.7950289317527,11.062656625259239,1871.0576274593313,43.25572363814217,12.322411883596157,3.849238000500687,3.849238000500687,6949.805979388216,6868.619170265759,124.55007006120127,1.0118199607679392,55.79929401864831,55.14745328437523,7.0629250336470015,9.364340826787707,18.368543438657465,0.9615415306235187,7.822441553779085,11.881166842330739,5.7288735533501844,53.7356988904601,21.13630937997691,1.466971624531293,11.134923615974854,7.963698362771812,34.67174519447051,1.942994752154859,3.447336941294013,32.759382015185174,4.518181680391834,32.973652411223966,3.216730741554131,5.552571632378831,15.699835279221004,2.8204579823788203,23.31469442167888,2.979786378698236,6.239320580195822,8.66139885800369,3.331307567405349,9.842197194460338,3.4516070892990083,7.3720500980125205,4.025810379551507,4.506683509479119,0.05577968416857377,1.7522651361961308,0.6729908346873147,12.031795131137095,0.4827865401099321,13.157207006509958,0.3554797912201705,1.3255740193752112,2.685682766335732,0.48841904112395007,8.97538403017435,0.03999071850478741,2.11818091538374,2.27304891195405,0.2963132180506326,6.902102875801086,0.07236057215706916,2.262659254049342,0.6698519509462417,0.3411546112931762,4.3364875956943845,0.10528975237608186,2.7164782450289247,0.26641121723798633,0.4547228330972225,1.8765616257737405,0.15411525201572748,3.2137056150565515,0.19206264537556048,0.7061222529712461,0.021427164877377915,0.16531165306430598,2.125079014920484,11.750735763269876,1.2882975492892892,15.031950297116147,1.7932002384822467,1.3333450493536843,3.6359042400697277,1.2965292874099357,12.101843439395727,0.21019014552162377,2.177383458019541,7.32739537058435,0.6875976716246465,10.824480557398488,0.36379126639066167,2.5009383573404596,2.503623145489087,0.5673368237790586,7.269274469728956,0.43528977397460483,2.9924667590191665,1.159199093827653,0.7046240687188843,3.120257496471385,0.5868228908966625,3.3348751533354655,0.7157383988760452,1.0382599804722656,0.01660253834345415,0.3759066371217228,7.3888618283086185,12.031693861935281,5.879674232571091,50.42923184345176,19.54290197523969,1.466574593683319,11.52526719393762,7.681495903994907,33.107033387670995,1.7492866167467878,3.346004106481873,31.000727520659048,4.094083409459507,31.288432828647625,2.9002739290505,5.354061532982867,14.50716885205702,2.573702665379291,22.029056511547317,2.7129835173595467,6.256478492227096,7.860660262503652,3.0479955127749876,9.328870282911906,3.1646982570611217,7.56491518625937,3.6996004678303067,4.483757655101125,0.057116369712713486,1.95330362237452,3.124393728475914,11.64396345512241,1.779642565638303,18.16672342099919,3.4426739068458976,1.3435834303429501,4.368512830584789,1.9555340911445829,14.709014174845313,0.3918279570096526,2.283837830687441,11.01261633111153,1.0957685870072498,13.84048186646876,0.6678909959047875,2.8008541211805014,4.087304463032453,0.8050985732738039,9.515381360769386,0.7380576520078659,3.3297460478012413,2.0148794691151783,0.974571448832975,4.063637739087835,0.9552371388879038,3.6510619789583245,1.1520725615473442,1.3082031480856084,0.017182302788059156,0.46835618907321025,9.446754075216468,11.976793749575245,7.508997725804735,72.68493158508578,30.818601699942615,1.5257609961327185,13.914669350040494,10.997078757420773,44.19501358771062,2.747872211044392,4.040096146664693,41.80016082951649,6.280227640684931,41.327572191451786,4.529175971873816,6.838684569631364,21.261175142469924,3.860416094516206,29.24808938366205,4.070765927500552,7.30951421358488,11.970014185076028,4.5569379955597675,12.310310373044134,4.610456464253546,8.74298066552474,5.337880919887509,6.205598355598149,0.07399607640312847,2.3930544665606823,5.06782852323756,11.937903408257693,4.683221181317285,38.181694516297384,10.53849792585028,1.5779968098559631,12.058386337043345,6.699856565831994,22.78069690261416,0.8432895221993736,2.982737080114548,21.608509111612534,2.146037033935472,21.015209836363447,1.412074963359789,4.545388030197936,8.797935730775965,1.4987623725961783,14.726610589702425,1.4073155778765034,6.670325835442011,4.029157827396101,1.866889619898826,6.632998483027172,1.7135653572207281,9.033950249326796,2.0611514514500904,3.5636441304953266,0.061621330209041786,1.807060132912063,29.678925071984104,0.8340282701991883,0.4889383704545454,0.9573262608321921,0.026902496077657063,0.5341407805282703,0.6181786992038297,0.5908971180157215,31.001891712637835,39.672016224040895,82.7766299983342,0.9359893912482881,1.7432165977478218,30.89677020772277,0.4553371710606129,0.09495478774652341,0.9825010057889341,0.014479482014865049,0.5796940912471537,0.17767751766255743,0.02228626883022677,31.447062166529907,17.045480642852898,49.82840929757142,0.9737515086834012,0.7796578777399379,29.44118110093851,0.5705931287107662,0.2532349078435774,0.972779521300928,0.01885322836410133,0.5257554252458964,0.28930906667312983,0.15850784961452244,30.265009137492854,24.398964518592273,58.918050574073256,0.9591692819513922,0.9735723415335487,30.022773697112207,0.8304824502907326,0.47125315456696604,0.958443543606417,0.026512225372306346,0.5466442800090546,0.6136759449599769,0.5489239389199847,31.324509301969904,39.47308095262817,82.54752737428252,0.9376653154096255,1.7092441638890161,29.035111087485255,0.633793216357418,0.32860317520442894,0.9679174547340619,0.021128195960951588,0.5112348180233569,0.3572254750974943,0.26689911974657743,29.9975074790471,28.15155260251126,64.19609997979634,0.9518761821010929,1.1353594128674285,29.8202951747136,0.8705807814176243,0.5171998610085191,0.9555313614797116,0.02789600956235482,0.5392416071111356,0.6735561127841163,0.6611810978505173,31.20807581713974,41.83429265404715,86.46938158554087,0.9332970422195674,1.8739788177457692,30.121713419996336,0.8386954744960593,0.47407702180851063,0.9582378251770992,0.026680744095170298,0.5502792261779458,0.625810765999063,0.5555222293437593,31.434485916300908,39.94056317209282,83.35163068782929,0.9373567377656488,1.731612221520768 +UMLCN0383,L,dodecyl laurate,CCCCCCCCCCCCOC(=O)CCCCCCCCCCC,Esters,,C24H48O2,BioCompoundML (2016),Unknown,PubChem,,85,0,-5.414100000000001,29.312478810000012,82.67090000000002,75.85006399999993,0,0,74,26,48,0,24,0,2,0,0,0.0,0.0,0.0,0.0,0.0,4023.0459779999974,4331.442853000003,4987.11796500001,4832.895176000033,4664.328175000031,4467.571446000029,4270.814717000031,4074.0579880000023,3877.3012590000026,12089.206928597314,15732.917930497624,21118.544821419422,22317.109879346983,21350.003817919078,20343.20547296396,19336.407128008836,18329.608783053725,17322.81043809865,530.1620879999995,537.6393400000004,1028.496684,1422.6435200000024,1351.827100000002,1288.942200000002,1226.057300000002,1163.172400000002,1100.287500000002,89.56142743275173,118.82394687999988,174.29410768292337,194.78053696271292,185.05009245592083,176.02856359652472,167.0070347371286,157.9855058777325,148.96397701833624,12290.014414928952,10599.388109444195,22146.092105719654,33089.16838622844,31240.911176485155,29761.95602144657,28283.00086640799,26804.045711369414,25325.090556330833,167.27777777777777,149.0,263.0833333333333,320.16666666666663,317.9166666666667,305.6666666666667,293.4166666666667,281.1666666666667,268.9166666666667,54.365486189189156,59.33483360273977,35.120549049295846,24.164475880000165,24.678985052910214,24.81984136666683,24.975524660818895,25.148506098765445,25.341838294117665,163.367661197261,215.5194237054469,148.72214662971425,111.58554939673492,112.96298316359301,113.01780818313311,113.07840425736161,113.1457332287267,113.22098325554674,7.164352540540533,7.3649224657534305,7.242934394366197,7.113217600000012,7.1525243386243496,7.160790000000011,7.169925730994164,7.180076543209888,7.191421568627463,1.2102895599020504,1.6277252997260259,1.2274232935417138,0.9739026848135646,0.9791010182852954,0.9779364644251374,0.9766493259481205,0.9752191720847685,0.973620764825727,166.08127587741828,145.1970973896465,155.9583951107018,165.4458419311422,165.2958263306093,165.34420011914762,165.39766588542685,165.45707229240378,165.52346768843682,2.2605105105105103,2.041095890410959,1.8526995305164318,1.600833333333333,1.682098765432099,1.6981481481481482,1.7158869395711502,1.73559670781893,1.7576252723311547,0.3422710601141861,-0.16286696685806173,0.013986286450709514,-0.009279041436574532,-0.01720012375435673,0.0010971760158782525,2.7783520783711756E-4,1.383487143291162E-5,-7.099911629425415E-5,2186.561203459455,-21.378182872163435,-727.9223428816596,134.41492816362324,-17.148175105916266,-17.991097604089745,-18.834020102263466,-19.676942600437187,-20.51986509861068,3635.2872112813493,-155.88804325158563,-1595.7670354210204,145.98684935921034,0.16988139630400667,0.057555057608922766,-0.05477128108638851,-0.16709761978192716,-0.27942395847723844,2.3671368648648734,0.06274120087652557,0.7993249349890168,0.004286959824695791,-0.1818491278305413,-0.18856426588751907,-0.19527940394449675,-0.20199454200147443,-0.208709680058452,16.180001320264235,-1.0397253621687224,-7.2791401550096975,0.28754598059078434,-0.018192707388102344,-0.018453561316076825,-0.01871441524405308,-0.018975269172029338,-0.019236123100005595,88.71285953784242,-6.22361093721398,-39.337019307713,0.903071745851943,-0.21989067341396917,-0.2240874859905,-0.2282842985670237,-0.23248111114356873,-0.23667792372009955,43.600600600600536,0.8121702783864924,10.872270919568184,0.27615453291128556,-3.5519844168493115,-3.695154614073558,-3.8383248112978086,-3.9814950085220575,-4.124665205746306,0.00462528459613765,-0.0022310543405213937,9.849497500499658E-5,-4.639520718287266E-5,-9.100594579024725E-5,6.095422310434736E-6,1.6247672972930852E-6,8.540044094389889E-8,-4.640465117271513E-7,29.54812437107372,-0.2928518201666224,-5.126213682265209,0.6720746408181162,-0.09073108521648818,-0.09995054224494303,-0.11014046843428928,-0.121462608644674,-0.1341167653503966,49.12550285515337,-2.135452647281995,-11.237796024091693,0.7299342467960517,8.98843366687866E-4,3.1975032004957093E-4,-3.202998893940849E-4,-0.0010314667887773282,-0.001826300382204173,0.03198833601168748,8.594685051578845E-4,0.005629048837950823,2.1434799123478953E-5,-9.621646975160916E-4,-0.0010475792549306615,-0.0011419848183888699,-0.0012468798888979904,-0.0013641155559375947,0.21864866649005724,-0.014242813180393457,-0.05126155038739223,0.0014377299029539217,-9.625771104816055E-5,-1.0251978508931569E-4,-1.0944102481902387E-4,-1.1713129118536628E-4,-1.257262947712784E-4,1.1988224261870597,-0.08525494434539699,-0.27702126273037325,0.004515358729259716,-0.0011634427164760274,-0.001244930477725,-0.0013349958980527702,-0.0014350685873059797,-0.0015469145341182977,0.5891973054135208,0.011125620251869759,0.07656528816597312,0.0013807726645564278,-0.01879356834311805,-0.0205286367448531,-0.02244634392571818,-0.024577129682234924,-0.026958596115988925,-0.4823604459678954,0.021294900445098002,-0.010030778910689092,-0.01967575051840959,0.0013178480553444705,3.5127942151924E-4,1.8463824045597677E-5,-1.0032820728796969E-4,-0.009911012167435953,-0.17348694008082424,0.022745086367513972,-0.0030706207973494864,-0.0033826357636016348,-0.003727494410511952,-0.004110670684856749,-0.004538926520889118,-0.04346932902810951,-0.22875686498775094,0.014858560307225028,1.829687869736636E-5,6.508845741332262E-6,-6.52003278904828E-6,-2.0996564489499676E-5,-3.717621756644451E-5,0.026868184229522387,0.1759719178857617,6.70081717149882E-4,-0.030078610439897485,-0.03274878863808079,-0.03570003822554654,-0.03897920443384182,-0.04264415490193651,-0.06514017857520814,-0.23444712108373772,0.00657552559562169,-4.402391864234751E-4,-4.6887907772342915E-4,-5.005336944234259E-4,-5.357054907567556E-4,-5.750151454822417E-4,-0.07111557348535465,-0.23107781159171267,0.003766495045993706,-9.70487948057862E-4,-0.0010384611186200364,-0.001113589359767668,-0.001197065183265146,-0.0012903616918798974,0.018882673341592052,0.12994846965947465,0.002343480955988673,-0.031896901378270934,-0.03484170167826096,-0.03809648095719734,-0.04171290237823775,-0.04575478514292996,1.6020718959294566,1.0175644455975323,0.9875538342706894,1.1167064205245256,1.138123668879387,1.1831934677921943,1.232516261943681,1.2873920198902327,1.339747740591576,1.3108589779671944,0.9464369372445853,0.9984466170206283,1.0034591667402581,1.008999353272481,1.0151551160860615,1.0220350862894751,1.500495178883472,1.4199103438704859,0.9588111810229574,0.9756422957069514,0.9741936210543732,0.9725924543331025,0.9708133801983571,0.9688250032242299,0.7628963186727631,0.74014419940113,0.925910906349353,1.1560896607398636,1.2057677395132786,1.2606750897365266,1.3216832566512464,1.3898688549676987,1.5626895409896702,1.443474367770143,0.9660788188353295,0.9746920007528318,0.9729740758632536,0.9710753167747722,0.9689655844542376,0.966607648331287,1.5729893370983048,1.4422588278511348,0.9679637076443881,0.9766975466232277,0.9755478597302614,0.9742771531643512,0.9728652569800068,0.9712872553622103,0.6058785040292041,0.5243615941811077,0.7966824505819972,1.1575330409960911,1.2107588906490363,1.269587461318081,1.3349525398392421,1.4080076275981865,432.0975982136671,216.29879910683346,338.20241414529045,432.5591366752054,16.636889872123287,216.29879910683346,0.49999999999982947,0.01755563807658228,6.752168490993185E-4,-10.510188319117823,591.0357935833267,22.732145907051027,16.592879108028445,432.13677534557723,216.31765325188724,338.2360394481918,432.5969579531439,16.63834453665938,216.31765325188724,0.49853115819723826,0.017569277913989212,6.757414582303543E-4,-10.508169035766361,590.6876317023264,22.71875506547409,16.591347072871276,466.8233926902217,233.0127018670525,368.3070816474968,466.08678749996005,17.926414903844616,233.0127018670525,-0.7979889561166544,0.027620771284293966,0.0010623373570882294,-9.331886737012228,430.2712646830225,16.548894795500864,15.767481230505275,432.1778922766229,216.33744093853016,338.27133056375635,432.6366519077959,16.63987122722292,216.33744093853016,0.49698960043741636,0.017583586719287003,6.762917968956539E-4,-10.506052400538078,590.3229755416681,22.704729828525696,16.589741488565725,503.5866934494063,250.71105246036385,400.71473946642516,501.588611730626,19.291869681947155,250.71105246036385,-2.1645885286786495,0.03494745288453266,0.0013441328032512561,-8.72016519867578,381.8720700952405,14.687387311355403,15.457222709442984,436.19949976789746,218.27288406982692,341.7275450987886,436.5191321110572,16.789197388886816,218.27288406982692,0.3462683717563664,0.018952043403030916,7.289247462704199E-4,-10.311193157128683,558.0045411045072,21.461713119404124,16.443354461373623,436.4547222982502,218.34110172177242,339.93659714664693,437.3608578293853,16.82157145497635,218.34110172177242,1.177976190475448,0.016547264112694415,6.364332351036314E-4,-10.663989703212433,511.33292539415004,19.66665097669808,16.21625432820578,0,11.89,15.995926730170751,-0.31570481005880835,0.26153953095021387,4.349722079467053,7.594097280905368,25.0,73.0,72.0,72.0,24.0,1.0,1.0,0.0,0.0,1.0,55.34793599999998,3.5904262193183807,3.527714343923873,3.4851158207833213,3.394893633627718,3.302391539492292,3.18537146215379,3.0453026932179883,2.9163167966231334,1.9425731562172048,1.9376170123407794,1.8539127006223723,1.8359442651851594,1.711805564019626,1.6771970250218144,1.5280885225317296,1.4780373530137434,3.5713701833736247,3.555205557659331,3.470596165249333,3.4224181968185468,3.2903360964718384,3.212791272207589,3.040296405581218,2.943376619540598,1.8892116520261206,1.8788209507400424,1.8067346119570562,1.773730707793386,1.6652285373425784,1.609846809885274,1.4748039160027941,1.404140287361993,3.7064954611166145,3.678764807127326,3.620930339460257,3.557657628461276,3.4574869068856087,3.3678611999842456,3.2305071583889093,3.126949294111369,1.7114257981809202,1.702521416819208,1.6115646355724242,1.581516587083137,1.4450200018406538,1.3917626170991324,1.2218133855891677,1.1507981718899634,3.586825310874446,3.575731255424659,3.4804479649271207,3.4440111698762372,3.299273068185205,3.2361963246858445,3.052220707426918,2.9694352705153384,1.8597126273416256,1.8412172503154955,1.782299750084996,1.7338063359526776,1.6387200368036818,1.5663629837040847,1.4417457747926443,1.356076573898224,3.7542487123612793,3.73797151583093,3.6676048354957302,3.6212546730276953,3.5109222960274615,3.438677541338853,3.2957079877933264,3.207782362210165,1.6596651890694682,1.6472254277946325,1.5612981802859693,1.5219820921573977,1.3909908862420566,1.3251602442978325,1.1583648910391138,1.0742206997339334,5.185882002077104,3.6185265019309263,3.596538287216447,3.5441165480364276,3.470847903946607,3.3976119470493096,3.262296617539245,3.1806855474082787,1.7969737159467747,1.7919431505693835,1.6810231147636905,1.6622902650558027,1.5011038882901653,1.463674365618693,1.2764232014247472,1.219971669348618,0,0,1,0,0,3,20,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.08333333333333333,0.08838834764831845,0.08333333333333333,19.133699455293673,12.808060412490448,9.046483015391093,6.1009536313038994,4.104809861103813,2.7546009608838813,1.8431891072560391,1.2293625530579066,0.7359115175112951,0.512322416499618,0.36185932061564374,0.25420640130432914,0.17846999396103533,0.12520913458563096,0.0877709098693352,0.06146812765289533,18.165738985845227,11.964690378025045,7.9808778205431405,5.245394899343333,3.427669696382429,2.2247595222876324,1.4324502412466438,0.9134107974517991,0.6986822686863549,0.4785876151210018,0.3192351128217256,0.21855812080597223,0.14902911723401865,0.10112543283125602,0.06821191624984017,0.045670539872589955,38.4334654996947,71.96941005098338,68.10980392156851,69.04000000000006,44.12578682634737,568.987164071856,0.5193711554012796,0.9725595952835593,0.9204027556968718,0.9329729729729739,0.5962944165722618,7.689015730700757,8.371400000000005,114.64700000000009,223.5332953499809,350.5184117636565,447.06659069996186,17.19486887307545,223.5332953499809,0.020473583661687056,7.874455254495022E-4,-10.110411546736842,516.8428368801123,19.878570649235087,16.244120978106377,891,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,21.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.035370235385844,0.017472170273188814,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.389809428871408,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.526638995955494,0.0,26.08718526505214,0.0,0.0,0.0,0.0,0.0,0.0,0.017472170273188814,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.68826775796785,5.3471024774179945,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.3471024774179945,0.017472170273188814,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2127482255229508,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.259484176044898,0.0,0.6186455463728191,0.0,0.0,0.0,0.0,0.0,0.0,0.017472170273188814,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.68826775796785,5.3471024774179945,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.68826775796785,0.017472170273188814,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.267154819910597,0.0,1.4081450872359964,0.0,0.0,0.0,0.0,0.0,0.0,0.017472170273188814,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.68826775796785,5.3471024774179945,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,47.66666666666667,1.8333333333333335,0.5559027777777779,11.68826775796785,-0.05150981859065462,0.017472170273188814,14.527067767999384,1.649194496393478,4.68826775796785,14.124018462682677,1.649194496393478,4.68826775796785,14.124018462682677,12.66666,0.48718,0.0,0.01282,0.46126,0.75897,0.43,0.46126,0.75897,0.03126,0.0,-0.03126,0.0,0.64189,0.0724,0.0,0.10526,0.03947,0.0,14.75,0.56731,13.25,0.50962,1.5,0.05769,-11.75,-0.45192,0.0,0.0,35.33177,1.35891,39.89382,4.56205,0.17546,11.75049,0.45194,12.80805,1.05757,0.04068,0.10595,0.00407,0.10595,0.00407,0.0,25.02,2,2,2,2,0,0,0.9583333333333334,1.0727330946570142,1.469063868466198,2.4049347244220445,3.117963626742561,3.5542096356610533,3.785658428875215,79.38224900461904,108.71072626649865,177.9651696072313,230.72930837894953,263.01151303891794,280.13872373676594,0.17275805638462313,0.23658505539277816,0.3873021637836957,0.5021317406136514,0.5723868795495898,0.609660497626069,5.136720270971937,4.740389497162753,3.8045186412069065,3.09148973888639,2.6552437299678977,2.423794936753736,0.17275805638462313,0.23658505539277816,0.3873021637836957,0.5021317406136514,0.5723868795495898,0.609660497626069,8.982608296450126,13.84654824756574,17.776533701991227,20.35929777168959,22.119873470982498,22.41349702933789,97.5644579671489,81.40054383496668,70.33444573667677,59.32165675190047,51.31944973706195,49.3104911331927,26.0,23.04,23.0,26,3,12,3.8799999999999994,3.5645999999999933,0.04166666666666667,4.557165058220921,0.16724840200141816,0.0,0.0,3.9491192418664762,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,12.339999999999998,25.0,24.0,23.0,22.0,21.0,20.0,19.0,18.0,17.0,240.0,3.295836866004329,3.332204510175204,3.295836866004329,3.258096538021482,3.2188758248682006,3.1780538303479458,3.1354942159291497,3.091042453358316,3.044522437723423,2.995732273553991,5.560681631015528,1.0791666666666666,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,22.0,0.88,24.0,0.96,2,12.0,24.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407407,0.060000000000000026,0.049586776859504134,0.06,0.02666666666666668,0.015625,0.010434782608695656,0.007575757575757578,0.005830903790087463,0.0046875,0.003898635477582846,0.003333333333333335,0.002916869227029655,0.15634513756739024,223.5332953499809,350.5184117636565,447.06659069996186,17.19486887307545,223.5332953499809,0.020473583661687056,7.874455254495022E-4,-10.110411546736842,516.8428368801123,19.878570649235087,16.244120978106377,26.3,438.60408442192545,5.700439718141093,4.61512051684126,5.293304824724492,5.988961416889864,6.678342114654332,7.3796321526095525,8.074337694089515,8.77909581088053,9.477232830220407,10.184635826136912,117.47066318704685,3.9318256327243257,0.0,5.017279836814924,0.0,6.2285110035911835,0.0,7.499423290592229,0.0,8.805525052709516,9.127936545721367,368.36543077600135,4.977911226702721,50.64826252131864,1.948010096973794,5.4970362939227355,5.4970362939227355,0.0,2782.0,24.0,11.517000000000003,100.0,1.2447123287671227,2.148215534943902,2.8709000548581436,3.628950923754497,4.945078138119281,5.95708463317861,7.256440416406845,8.351305378131055,9.630768871175373,10.758976529127455,85.44063614268498,83.49477443656679,83.16766912327935,113.7404441884241,143.98918984984954,174.9121244580644,206.4606682153276,238.65291086841594,271.54311522208417,305.28332765481656,294.64785124058176,340.57543602855964,353.7555456677674,482.34288266518536,616.5444363514247,749.9027832413356,886.9064583743433,1022.7855250633488,1160.5402594455004,1297.3149093166232,9.211138464000008,15.618755591021282,20.487429400155825,26.162577187214744,35.56069131321536,42.93317101643667,52.286404773109055,60.289976375356,69.59020093020636,77.9117146117138,2.1668978676361657,2.7607983321097054,2.982643354429203,4.010270819776118,5.181502336663084,6.293860376034388,7.474456653326531,8.608129691384418,9.77691663484638,10.905570494860571,178.52623320222835,331.75409944454356,471.13250185170966,585.205092043157,808.0916156145595,970.3329292396566,1189.1424393956117,1367.4687395345395,1582.5744445523767,1767.9413696378995,2.6130490867579903,4.0919015819189815,4.707613822680779,6.379601811024261,8.6142383482786,10.520127106556032,12.855365652781867,14.994670277066813,17.46077322471308,19.819539857554858,0.4596719178082187,0.5996227395946705,0.6557339856899935,0.8836308718672649,1.1478860383101153,1.3968281132133324,1.6655660094389138,1.9233052624012805,2.193128016687345,2.4547951494276803,964.8663561227454,1633.1656978806898,29.897990110078098,237.38788752135596,-401.8108337305499,-23.41999458764209,727.4784686013894,2034.9765316112398,53.31798469772019,0.8025476817600412,1.3584195743243717,0.024868275797850857,0.19745231823995868,-0.33421452729718654,-0.019480068139875927,1160.0146711979917,1963.4803908510398,35.944985486270774,285.4005951622588,-483.0787799947281,-28.156787879114592,0.1544630916664205,0.18646040884370982,2.215091105518412,2.3842711553106883,1145.8218966199765,56.432347024124766,0.9530612203513,0.04693877964869984,1703.452835259964,41.2729067944089,11.942906652669379,2168.43056718577,46.56641028880979,12.943403998582161,3114.774107413109,55.81016132760332,14.604124229588017,5.808136287392192,5.808136287392192,28007.06352837365,27873.61358358103,210.10553658642675,1.0047876800900772,133.2999785888696,132.6648218625845,9.663405180411699,15.415470821093281,30.7550486057906,0.9950768265674949,13.400452622500293,21.366339919430317,8.583643551965132,99.6778704116889,37.13413902429627,1.7336988626874366,20.513078172945356,14.472563447764024,69.90291020257222,1.6929664547662782,7.664869276540064,64.97903071461188,9.29853182684007,65.59053537280269,2.7081605689530615,18.608296696261146,26.60960276792001,10.290701194883354,44.937290185357526,4.287105578251871,40.926944679926045,9.862165494243294,15.852322070343764,17.294656457042095,5.54137199477135,60.70387797390519,0.43615178260762616,24.650281187173476,0.09357226037839386,1.2019024345210712,1.1411146509737418,21.51654715470329,0.6944588126485215,23.23219714797595,0.3269481655463827,1.6893792610218379,3.885350502120662,0.7288795629468324,17.50703552323381,0.04901841142304492,4.872551749800373,4.516155191268655,0.7395521809238988,13.790135353432362,0.11439617086719374,7.242382929714055,2.2934705001177966,1.1948311907149434,9.091191679327288,0.18628019548119884,9.395506578352794,1.1083620393618345,2.2068329705296197,4.507787479772386,0.2500268424591082,10.562735016104195,0.38014540101953,4.129717781145825,0.021492340495943642,0.13302754217830168,3.636239758359367,21.23551670992113,1.9901213645571643,27.62643433627416,2.777882805602236,1.5168415277673521,6.2837908740766775,2.0948256442416557,23.8631631861589,0.2195078171563,4.737316137616404,13.973524829917212,1.5459986026045054,21.373589349931834,0.44366465179804493,8.786877199757347,4.501888628147117,2.013569102024521,14.288612762973095,0.7156633406629397,13.959281192152686,1.490438800986686,3.5298911136804882,6.056519947892099,0.9487985452923158,17.189776454128072,0.23975282088238278,6.365168558267074,0.0174249323314566,0.2363241293993294,12.65404926098429,21.51682098961997,8.554871504845256,92.92017717059936,33.1496092442823,1.8157886566903962,20.617838333072235,13.577643594987336,66.43491660328392,1.5339371222309721,7.622212600304704,60.929225525221526,8.711398824567501,62.3586911863588,2.478557323153252,18.262604799197632,24.820658700950002,9.371926662380911,43.064193876585776,3.9272080311191284,39.37348122626047,9.385912763367921,14.513636741856173,17.31767623284107,5.082546682457719,57.910059500805794,0.5199770352916258,23.973575417146208,0.09040663697074997,1.494919735493567,5.35156662342146,21.128781187849498,2.832672903973765,33.804130475960896,5.953767861235196,1.4599914002939864,8.001859082559612,3.352185462646393,29.22548921968358,0.38555792318861926,4.872859829402836,21.19817813001751,2.310750014100305,27.274001294939147,0.7291329838584446,10.097117529569841,6.818867095574323,2.8831528830907796,18.31526637491236,1.1704256488747553,17.647697493782346,2.129007503677726,4.8706258059193255,7.268382782112161,1.5417006567094798,22.766318516999515,0.19505991785795926,8.161728475854678,0.020598317943454368,0.24015839513682305,16.1830102647801,21.46215986139767,11.047276415158509,135.08940821365456,54.128752146722704,1.8609041501975403,25.600694630466933,20.128858421198412,89.36089629543017,2.348113698189658,9.016381399830614,83.55678529429781,12.916781675583916,82.40223705072879,3.638683473847069,21.764101510665764,36.224762927396235,14.126658565523005,56.45022085833879,5.7432329067484975,50.204071631759035,13.882099022580945,21.442115976374673,21.634588249864034,7.39335642722197,76.8598939874547,0.5289189049390335,32.950470914040956,0.13188956593469758,1.7435662302975077,8.786511979601734,21.329995590014786,6.61433834463824,64.60349268004086,15.943180587216476,1.989991173211028,19.175707950280096,10.17541281062768,47.466810185578794,0.8065443111631212,6.8005064219096525,41.963218902866025,6.429722719843207,46.35893721422578,1.3877527738336848,15.100902570970339,18.451506787707796,5.19891058090988,35.40111658364887,2.210924152527706,29.78515359354535,8.675784388175765,8.358846661535452,20.030718671307092,2.8828423458328003,42.33927515860102,1.7524679830570271,19.83107603312933,0.07905880683843619,1.7159036596457107,85.61639552533127,0.8671294559163798,0.5139217337837834,0.9841253825043401,0.009967297761700366,0.5732063957816731,0.6294211947952718,0.6216139269378776,86.99744671503144,118.68626157149801,243.8375139768969,0.9761880737565103,1.8242415175148223,75.57040287213758,0.47200061123890436,0.10398715832099098,0.9924357836962991,0.006198594670886982,0.44658106538239045,0.18644134521215436,0.02544990630709081,76.14639064169748,43.576709797353736,123.43224712576469,0.9886536755444488,0.6584723169016355,81.66215867364185,0.5927870591944888,0.26807137962711214,0.9895682626624228,0.00718329358203943,0.521481090404246,0.2941551125807416,0.16913273278488405,82.52301711246346,70.45846767137655,165.95835674604777,0.9843523939936342,0.9847689357698716,84.62093269551966,0.8638300239841605,0.49878711474892107,0.9841525833562379,0.010046456858891419,0.5599543446422928,0.6246486490787471,0.5855408768075697,85.98354983425274,115.73680047179022,238.18074185582367,0.976228875034357,1.7701438705286097,83.87595372960715,0.6597530770033124,0.3441207037489053,0.9881729992838441,0.007772790029795846,0.5501384807547322,0.3643673552964964,0.2787073179278591,84.87982751035936,84.4279054778977,188.35048440666728,0.982259498925766,1.1932131539790878,85.87107805472677,0.9051851400606772,0.5442506407947679,0.9834009705487461,0.01036623698487472,0.5766216973491012,0.6858801072690871,0.6971474855505128,87.32051383558222,124.95726066566769,254.58195437165813,0.9751014558231192,1.9596492901687013,84.88683198445307,0.8720653043453517,0.5015198789658902,0.9840762979311841,0.010109681044659313,0.5634788493844827,0.6366165641100485,0.5919745979721344,86.26041716776432,117.03665275796119,240.42301227934124,0.9761144468967763,1.7920700114666657 +UMLCN0384,L,dodecyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC,Esters,,C26H52O2,BioCompoundML (2016),Unknown,PubChem,,74,0,-5.990099999999996,35.88129800999996,88.4941,82.03723599999992,0,0,80,28,52,0,26,0,2,0,0,0.0,0.0,0.0,0.0,0.0,4315.63847600002,4668.399447000002,5374.535039000009,5226.408634000033,5057.841633000031,4861.08490400003,4664.328175000031,4467.57144600003,4270.814717000032,13060.575709819697,17038.89819947836,22945.63904474409,24330.706569257225,23363.60050782932,22356.8021628742,21350.00381791908,20343.20547296396,19336.40712800884,572.1169759999997,581.1909000000003,1113.9557,1548.4133200000028,1477.5969000000025,1414.7120000000023,1351.8271000000022,1288.942200000002,1226.057300000002,96.9176790521477,128.85592411999983,189.66948797262148,212.82359468150506,203.09315017471297,194.07162131531686,185.0500924559208,176.0285635965247,167.00703473712858,13283.273735205948,11465.467012475792,23994.496503651357,36047.07869630563,34198.82148656235,32719.866331523754,31240.91117648516,29761.95602144658,28283.000866407998,175.77777777777777,159.5,281.58333333333337,344.6666666666667,342.4166666666667,330.1666666666667,317.9166666666667,305.6666666666667,293.4166666666667,53.94548095000025,59.09366388607597,34.899578175324734,23.974351532110244,24.434017550724786,24.55093385858601,24.678985052910214,24.819841366666832,24.975524660818902,163.25719637274622,215.68225568959951,148.99765613470188,111.60874573053773,112.86763530352329,112.91314223673838,112.96298316359302,113.01780818313311,113.07840425736163,7.151462199999996,7.356846835443042,7.233478571428571,7.102813394495426,7.138149275362331,7.145010101010112,7.15252433862435,7.160790000000011,7.169925730994164,1.2114709881518464,1.6310876470886053,1.2316200517702693,0.9762550214747938,0.9811263293464395,0.9801597036127114,0.9791010182852953,0.9779364644251372,0.9766493259481204,166.04092169007436,145.1324938288075,155.80841885487894,165.35357200140197,165.21169800271667,165.25185015921087,165.29582633060932,165.34420011914764,165.39766588542687,2.197222222222222,2.018987341772152,1.8284632034632038,1.581039755351682,1.6541867954911433,1.6675084175084176,1.682098765432099,1.6981481481481482,1.7158869395711502,0.35075673401501406,-0.16286696685806124,0.009743449500340473,-0.009279041432498816,-0.01720012351076128,0.0010971857545513824,2.7809789279385246E-4,1.860824311431062E-5,-1.3918395986669803E-5,2348.5023510000005,-21.609857062494456,-809.9609353749984,134.7418196249945,-15.647643562505209,-16.368869125004494,-17.09009468750378,-17.81132025000329,-18.53254581250303,3935.526363775862,-156.1030419699244,-1746.8268142630563,145.6621578650665,0.18571330398636832,0.08960408043977708,-0.006505143107268907,-0.1026143666534054,-0.19872359019976926,2.4028992000000073,0.06428843999996905,0.7876378399999698,0.013676880000006046,-0.1665022800000089,-0.17224792000001082,-0.1779935600000125,-0.1837392000000143,-0.189484840000016,17.522061226651786,-1.0388306092186703,-7.946312681187405,0.28958003704834306,-0.016761899616080975,-0.016985092758200246,-0.017208285900324846,-0.017431479042444117,-0.01765467218456694,96.004664490197,-6.214676022353681,-42.94452295211805,0.9248760873632835,-0.20233130870873617,-0.20592220646953785,-0.20951310423033953,-0.21310400199114832,-0.21669489975195,44.02222222222234,0.8586111111111088,10.7572222222222,0.43388888888890187,-3.2491666666666887,-3.3716666666666875,-3.4941666666666835,-3.6166666666666822,-3.7391666666666783,0.004384459175187675,-0.0020616071754184966,6.326915259961347E-5,-4.256441024082026E-5,-8.309238410995788E-5,5.5413421947039515E-6,1.4714174221896955E-6,1.0337912841283678E-7,-8.139412857701639E-8,29.356279387500006,-0.2735424944619551,-5.259486593344145,0.6180817413990572,-0.07559248097828604,-0.08267105618689138,-0.0904237814153639,-0.09895177916668495,-0.10837746089183059,49.19407954719828,-1.9759878730370175,-11.343031261448418,0.6681750360782867,8.971657197409098E-4,4.5254586080695496E-4,-3.441874659930639E-5,-5.700798147411411E-4,-0.0011621262584781827,0.030036240000000092,8.137777215185956E-4,0.005114531428571233,6.273798165140389E-5,-8.043588405797532E-4,-8.699389898990446E-4,-9.417648677249339E-4,-0.001020773333333413,-0.0011080984795322573,0.21902576533314733,-0.013149754547071776,-0.05159943299472341,0.0013283487937997389,-8.09753604641593E-5,-8.57832967585871E-5,-9.104913174775051E-5,-9.684155023580065E-5,-1.0324369698577159E-4,1.2000583061274626,-0.07866678509308457,-0.27886053865011723,0.004242550859464603,-9.77445935790996E-4,-0.0010400111437855446,-0.0011085349430176694,-0.0011839111221730462,-0.0012672216359763157,0.5502777777777792,0.010868495077355806,0.06985209235209221,0.0019903160040775315,-0.015696457326892215,-0.017028619528619632,-0.018487654320987743,-0.02009259259259268,-0.021866471734892857,-0.47020786214305443,0.014430320838123723,-0.009708018375834985,-0.01895156980368078,0.0012638599136840533,3.35598385889113E-4,2.3578535979505767E-5,-1.8564234566862476E-5,-0.00931802327029325,-0.17916053066260335,0.021054498536426873,-0.0025750020968417935,-0.0028161285391667505,-0.0030802194045702748,-0.0033707193565141952,-0.003691798250768047,-0.04016718863783589,-0.23057716224907865,0.013582427849619981,1.8237270175573508E-5,9.199193581267618E-6,-6.996522125448857E-7,-1.1588382585635928E-5,-2.3623295103289896E-5,0.027093195470491417,0.1702786843017374,0.002088742853679545,-0.026779611581867462,-0.028962979051274124,-0.03135428627967186,-0.03398472423090939,-0.036892050387540315,-0.060037477906174426,-0.23558613260060304,0.0060648060824226085,-3.6970700840146544E-4,-3.9165847281988554E-4,-4.1570055289733146E-4,-4.421468409823868E-4,-4.7137694886596385E-4,-0.06555246915205225,-0.23237249159166976,0.0035352872754617526,-8.144987046047561E-4,-8.666338447684402E-4,-9.237342363762847E-4,-9.865446671449467E-4,-0.0010559667222050121,0.01975092492603776,0.12693969332030858,0.0036169296389091847,-0.02852460695447341,-0.03094549737659289,-0.033596948791295156,-0.036513545347467674,-0.039737152067447795,1.5996025240277896,1.028058525782994,0.9830602566529824,1.1044089263219554,1.1215676310087188,1.1608047779361534,1.20324298038998,1.249849436394347,1.350465946371966,1.3236416291173805,0.9495873010166861,0.9972205665588393,1.0014126733449107,1.006004028396322,1.0110545189528748,1.0166366400943276,1.50043100094937,1.4261655278803442,0.9622389420839469,0.9778017293108774,0.9765997146391827,0.9752832223797073,0.9738350808942844,0.9722345034630275,0.7712816251301726,0.7478242581662637,0.9199031301075127,1.1403842274474432,1.184344017813683,1.2324904548814695,1.2854515356560348,1.343987467038449,1.5578742165649917,1.4479282347333349,0.9689519997203287,0.9769991513791256,0.9755741983930539,0.9740135355987849,0.972296806525089,0.9703993691278461,1.5674051702851275,1.4467169773041053,0.9705800083807268,0.9786935661617975,0.9777392839486918,0.97669411771529,0.975544434858548,0.9742737327537283,0.6114336193841478,0.5298837331270432,0.7916317400627035,1.1414598102261306,1.188812659660713,1.240675304279541,1.2977242133602522,1.3607782707652487,504.2310736964364,252.36553684821774,394.92959190012425,504.69535941072127,18.02483426466862,252.36553684821774,0.4999999999990905,0.015914469922712338,5.683739258111549E-4,-11.593474271611324,423.9324850779424,15.140445895640799,16.9388077858895,504.272824655055,252.38567790662606,394.96521573475275,504.7357464448095,18.026276658743196,252.38567790662606,0.49853115819712457,0.015865232892367742,5.666154604417051E-4,-11.602150488382556,424.4025172097052,15.15723275748947,16.941910546237853,541.229320906496,270.2156659751897,426.8378320896983,540.4883311615305,19.303154684340377,270.2156659751897,-0.797988956116626,0.02223928266362224,7.942600951293657E-4,-10.656506180469718,337.2867555871806,12.045955556685021,16.298613730905245,504.31664282432644,252.40681621238184,395.0026044278022,504.77813316758943,18.027790470271054,252.40681621238184,0.49698960043727425,0.015813574764807214,5.647705273145434E-4,-11.611282327367341,424.8988947805357,15.174960527876276,16.945183488769107,580.3834328604278,289.10942216587455,461.2194304578978,578.3734577980832,20.656194921360118,289.10942216587455,-2.164588528678678,0.05306284100963027,0.0018951014646296524,-8.221579487424103,246.12975016862853,8.790348220308163,15.416404742465446,508.6023203653639,254.47429436856027,398.66443111109163,508.92385528199515,18.175851974356974,254.47429436856027,0.3462683717566222,0.010842987470723764,3.872495525258487E-4,-12.667862827228724,494.8217060885255,17.672203788875912,17.371753022300997,509.33960618350346,254.77869077904916,397.22339795579785,510.2652428484256,18.223758673158056,254.77869077904916,1.1780830280826535,0.03837720078237056,0.0013706143136560914,-9.128816830956072,369.36504476771404,13.191608741704073,16.55299922146549,0,11.889999999999999,15.99592774360267,-0.31571101905560417,0.2615471071762234,4.3501819928711125,7.618739587446974,27.0,79.0,78.0,78.0,26.0,1.0,1.0,0.0,0.0,1.0,59.72076399999998,3.5910108760330637,3.5318627464167416,3.5016855571493313,3.410480781217235,3.3502160623353068,3.2168088685368557,3.1360027426216877,2.9637776008382914,1.9473475561510116,1.9406543742364655,1.8726936854308527,1.847654026028919,1.75223725728793,1.7018055439181252,1.5939579074453247,1.5173030686151923,3.576070436459481,3.558566344720887,3.4931305274072213,3.435254229708631,3.345102892879484,3.2394716708999995,3.1377640957768547,2.985667178089433,1.8928543023286895,1.882332781520382,1.8228022454616932,1.787053412239401,1.702799855671881,1.6371369447416535,1.539667775375202,1.4462314733899768,3.7086089719780837,3.682667382999713,3.637349747980442,3.572348614954913,3.500749558610812,3.397602868331349,3.3094815551794934,3.1721605204278527,1.716803784966494,1.705738447061096,1.6338087555341727,1.5938089283186734,1.495285727810157,1.4173057834561997,1.30756424871745,1.1911558968590148,3.59261743215054,3.5788524864172397,3.505128662083333,3.4559681030262515,3.3563146868352547,3.261179107592676,3.1514080454800215,3.009332884699582,1.8621402377427552,1.8450151695361825,1.7965663179896172,1.7480963231896225,1.6749183938046075,1.5952367779624146,1.5065798135737263,1.3997605401002975,3.7576553436101743,3.741644457166193,3.6849973513594687,3.635141749301257,3.553765703693111,3.4670032603395793,3.3717457921141136,3.25130866790879,1.6645386883418718,1.6505871951180084,1.5829084650645775,1.5347963098343993,1.4418380644398296,1.3516848313194312,1.2472097986108142,1.115928843803783,5.1952566092437555,3.62123017531161,3.607854825285322,3.548371075996897,3.5107637632301496,3.405498617134439,3.347536500446335,3.195796761578309,1.8016768346306355,1.7939839606843464,1.7049462378306632,1.6760823418382647,1.5526218413485255,1.4943899115302406,1.3577636286505361,1.2692690644574154,0,0,1,0,0,3,22,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.08333333333333333,0.08838834764831845,0.08333333333333333,20.547913017666765,13.808060412490448,9.753589796577641,6.6009536313039,4.458363251697087,3.0046009608838813,2.019965802552676,1.3543625530579066,0.7338540363452416,0.5114096449070537,0.36124406653991264,0.2538828319732269,0.17833453006788347,0.12519170670349505,0.0878246001109859,0.06156193422990485,19.57995254821832,12.964690378025045,8.687984601729687,5.745394899343333,3.781223086975703,2.4747595222876324,1.6092269365432808,1.038410797451799,0.6992840195792257,0.4801737177046313,0.3217772074714699,0.2209767268978205,0.1512489234790281,0.10311498009531801,0.06996638854536004,0.0472004907932636,41.51712110726648,77.74508375819389,73.56078431372535,74.56000000000003,47.722895808383306,615.0436742514964,0.518964013840831,0.9718135469774236,0.9195098039215669,0.9320000000000004,0.5965361976047914,7.688045928143706,9.1516,123.88100000000011,260.0326504515085,407.92571575061197,520.0653009030173,18.573760746536323,260.0326504515085,5.551115123125783E-17,1.982541115402065E-18,-104.80385370066375,3000177.230702636,107149.18681080842,41.75970938100722,1041,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,25.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,23.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.108441590160496,0.02022990551718773,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.814043820853053,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.54033436039976,0.0,28.99766081058922,0.0,0.0,0.0,0.0,0.0,0.0,0.02022990551718773,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.741509784561524,5.366931805598972,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.366931805598972,0.02022990551718773,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.21127551020408164,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.268694464881011,0.0,0.6198191978961209,0.0,0.0,0.0,0.0,0.0,0.0,0.02022990551718773,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.741509784561524,5.366931805598972,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.741509784561524,0.02022990551718773,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2716398955187493,0.0,1.415404682674832,0.0,0.0,0.0,0.0,0.0,0.0,0.02022990551718773,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.741509784561524,5.366931805598972,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,50.66666666666667,1.8095238095238098,0.5559027777777779,11.741509784561524,-0.06105630385142535,0.02022990551718773,15.935444537718777,1.646436761149479,4.741509784561524,14.29755190112051,1.646436761149479,4.741509784561524,14.29755190112051,13.66666,0.4881,0.0,0.0119,0.45917,0.75476,0.43023,0.45917,0.75476,0.02893,0.0,-0.02893,0.0,0.64669,0.0676,0.0,0.09756,0.03659,0.0,15.75,0.5625,14.25,0.50893,1.5,0.05357,-12.75,-0.45536,0.0,0.0,39.1713,1.39897,43.84847,4.67717,0.16704,12.75049,0.45537,13.80805,1.05757,0.03777,0.10595,0.00378,0.10595,0.00378,0.0,27.02,2,2,2,2,0,0,0.9615384615384616,1.0639993696997976,1.4386589546162278,2.3285034066087293,3.0145627456039534,3.4535554244142395,3.7222873522723003,85.11994957598381,115.09271636929823,186.28027252869833,241.16501964831627,276.28443395313917,297.78298818178405,0.16830298505930016,0.22756648494304973,0.36832171635925837,0.47684230196194033,0.5462819843217106,0.5887898907427578,5.257928725187564,4.883269140271134,3.9934246882786324,3.3073653492834083,2.8683726704731223,2.5996407426150614,0.16830298505930016,0.22756648494304973,0.36832171635925837,0.47684230196194033,0.5462819843217106,0.5887898907427578,8.85902780966628,13.454815694163445,17.20296558081758,19.732992902060733,21.558595811492555,22.163243629946958,105.3445390730148,89.11157798280931,77.97204253093332,66.69037307100118,57.90780347732469,53.99369335861207,28.0,25.037037037037038,25.0,28,3,14,4.1000000000000005,3.846399999999992,0.038461538461538464,4.616586484339853,0.15384615384615385,0.0,0.0,4.044975785173507,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,13.338,27.0,26.0,25.0,24.0,23.0,22.0,21.0,20.0,19.0,262.0,3.367295829986474,3.4011973816621555,3.367295829986474,3.332204510175204,3.295836866004329,3.258096538021482,3.2188758248682006,3.1780538303479458,3.1354942159291497,3.091042453358316,5.641907070938114,1.0725190839694656,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.0,0.8888888888888888,26.0,0.9629629629629629,2,13.0,26.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407407,0.060000000000000026,0.049586776859504134,0.05555555555555555,0.02469135802469137,0.014423076923076924,0.009600000000000004,0.006944444444444447,0.005323868677905944,0.004261363636363636,0.003527336860670194,0.0030000000000000014,0.0026098303610265334,0.1454906840857691,260.0326504515085,407.92571575061197,520.0653009030173,18.573760746536323,260.0326504515085,5.551115123125783E-17,1.982541115402065E-18,-104.80385370066375,3000177.230702636,107149.18681080842,41.75970938100722,26.3,473.19605367365904,5.807354922057604,4.6913478822291435,5.3706380281276624,6.066108090103747,6.755768921984255,7.456454555176209,8.151044945685024,8.854950316500325,9.55272367519805,10.259096928959389,122.15813334396383,4.007333185232471,0.0,5.093750200806762,0.0,6.304448802421981,0.0,7.5740450053721995,0.0,8.878358040627822,9.201400530406708,396.39673090400146,4.954959136300018,54.64825276490615,1.9517233130323624,5.497208927414236,5.497208927414236,0.0,3485.0,26.0,12.655000000000003,108.0,1.2450886075949361,2.1491813935486244,2.8708335817601576,3.628610677774821,4.9465110344814365,5.959685413044289,7.261305135872638,8.358302036565025,9.641012430616433,10.772690373569729,85.19614818681019,83.06408804873993,82.6756883122464,112.82069160720775,142.7250286720885,173.1750499258303,204.19834720541883,235.70580132261847,267.8033080425224,300.52148771242355,295.06497518193,341.3008668127814,354.0412079861726,482.4042615959793,616.6269586913401,750.0715338758708,887.1134527802562,1023.0884662984863,1160.9091839538034,1297.8096033919976,9.203407813569632,15.606005194002355,20.45501896510426,26.108460200660215,35.4919841042381,42.847497818248314,52.179260783145715,60.15823907119627,69.42723585362438,77.71180079560433,2.172608012728609,2.7710833772435297,2.990986084397408,4.02112264163685,5.197413400865737,6.315986276372107,7.503956705889409,8.646726399293948,9.826488161362905,10.968815080024477,178.48521790924855,331.6003961388085,470.8307469743627,584.7396363579688,807.7895487893268,970.0228994177245,1189.0021864236978,1367.4006389084027,1582.7321418588772,1768.2604162613727,2.585874472573839,4.045436693093358,4.645998000463772,6.279624567774687,8.463925355498283,10.323473486860182,12.589158369788661,14.6554223906836,17.021135697541233,19.266562418205904,0.45997348101265767,0.6004290670615733,0.655726459158928,0.8831378289160497,1.1472253513291986,1.3961348809130034,1.6646661083841536,1.92229993156934,2.191853249887625,2.4533231509496147,1015.383558691551,1826.677539993481,29.060246447505467,242.45440107989333,-436.1760687714171,-22.751835638227373,772.9291576116577,2262.853608764898,51.81208208573284,0.8072451231127187,1.452235978253826,0.023103330776235956,0.1927548768872808,-0.3467665015060225,-0.018088049785332832,1277.1879838500497,2297.664350065722,36.553081101985654,304.9683491919406,-548.6388164445686,-28.61812252024317,0.14533025903965469,0.17543569292538846,0.8226793193469238,1.6787263430473012,1213.1326790680878,44.70528070335706,0.9644586328818695,0.0355413671181304,1827.6159735522644,42.7506254170891,12.226298134689557,2331.34184980522,48.283970940729596,13.259749510902056,3350.563831679988,57.88405507287813,14.96371054498656,6.088202483645746,6.088202483645746,35272.85770979449,35131.4836509276,224.6881168316977,1.0040241414302795,156.98586203477583,156.35666071847842,10.174374987263226,16.759277739356353,33.2373346394525,0.9832199905250208,14.516054836244507,23.26337453485024,9.170760208017258,109.88461561260273,41.64755299744488,1.7336960372447068,21.346689079863722,15.21763362218426,83.83740058097428,1.7545686317680795,7.6649343663322895,73.79020394478289,8.74441250871994,79.94349824288871,2.7082966552514405,18.546994706994116,34.520597726793,10.279549993678323,58.61245971185606,4.287106796795781,40.58404913964857,16.474971657574276,15.886137846068653,30.181876898395743,5.795345892823926,60.422240852213775,3.0633650950836464,23.981719091627987,4.700315353726895,4.343098350305972,1.2347394142310255,23.413497559416538,0.7288484996600043,23.726116128902692,0.37500005471897346,1.6894064733823555,3.124766479051874,0.7218850290533039,22.542997301105444,0.04942832334318957,4.872368789413387,6.398488722786665,0.6538937236011515,17.705446741830205,0.11439684664946456,7.1593701572785085,1.6282986650130395,1.1903506483856703,11.592831275255344,0.1862801912668845,8.936259522144338,0.5526854645251953,2.1934245032459385,5.926270166011842,0.25181560028070293,9.653219559757622,0.10356567148402954,3.834763174790558,1.5152613442147864,0.26224344049420234,3.9384719070471395,23.132472899251393,2.133705960287275,29.5610996304328,3.1593331941482967,1.5168659652813323,6.263433105012091,2.1797023924378176,28.841102051475954,0.22401734309911592,4.7375942887608335,16.551829191984016,1.4118701141035426,26.191783528349532,0.4436744994453825,8.744220643108594,5.250612396860909,2.0100268350134805,18.395313599774862,0.7156634236627504,13.718262429756344,1.8996133852284443,3.5242053711428714,9.410508001046408,0.9674387918559332,16.75856907036023,0.3465946108092851,6.022326031633445,1.9451188715526377,0.7682032101679531,13.707086747519408,23.413846415156904,9.100684538015424,102.24279922282227,37.37434773051725,1.8157770705877199,21.119534475842837,14.408951447628406,81.26001230839387,1.58881447325873,7.62203066327028,69.13099302503774,7.934664920194387,76.65111004431331,2.478678457991451,18.179682970168177,32.574710770404195,9.357714679948694,55.87019763749667,3.927209111210902,38.91327232604731,15.759058469396019,14.531821725319059,28.815796539119273,5.308832852670904,57.3401659768502,2.9531496628527805,22.409933396185444,4.740834610575013,4.315863853675757,5.797001202410566,23.025744734394923,3.0508580536368295,36.7258281392359,6.682322139988819,1.4600159248149214,8.346841779643675,3.4716209511911003,34.47782450428663,0.3953730174379398,4.873313212249386,24.612806646860623,2.1972198246340744,32.98947869206352,0.7291546117396738,10.069797362580443,8.379373876391185,2.880249911220731,23.745304201993413,1.1704258400779672,17.489662895262953,3.1544163774385803,4.872556190279779,12.155023163286366,1.5821897640885643,22.545043691212545,0.5704071918382281,8.00971241423947,2.2717927964938136,1.1268615977333574,17.53026150269281,23.35923308376216,11.772843897646137,149.39237295389842,60.720170715324244,1.8608857365694829,26.580797290001122,21.22908693794023,107.58230979794023,2.4379589425935646,9.016290065235781,94.35526547230526,12.107135446266112,100.61684170016184,3.638881992894279,21.689109644619833,47.47159283141609,14.11103716075548,73.6520839680601,5.743234686122852,49.786515521487175,23.574049093307124,21.493508675689277,37.95218647008307,7.763753488957015,76.5822805098986,4.402779816166875,31.925840828417996,5.647013441538749,5.914913819895734,9.530256187695084,23.22176745539509,6.946931079374604,69.16441500988603,19.277823822035206,1.9995655812373765,16.98371458920234,11.64227024955625,71.01475591905205,0.836185206839092,6.830946049552073,48.18038396424169,4.279190385447254,62.59096789325586,1.3945349573136365,14.890288226764609,25.55910823492023,5.187462982612723,44.22311268300137,2.221640520938545,28.380829627117613,14.119167668006778,8.323152855611049,23.78132767497269,3.003230229526464,39.453759207032505,2.8229677810280336,14.074665691624778,6.0411587592006635,3.1981193988982985,99.41058799289681,0.868989952500656,0.51666990375,0.9862528627223858,0.008621252983555438,0.5717240537046243,0.6335759259052737,0.6249928269357915,100.79624784914746,138.19824202314882,283.627950618212,0.9793792940835786,1.8302928065456894,88.5264320323553,0.46679911736317337,0.10502712638870694,0.9935820715823666,0.0052391497476483384,0.4533848639533456,0.18282273625199244,0.02582567433487357,89.09825827610717,50.67076367171531,144.1091692556276,0.9903731073735498,0.6620332745402117,95.13059324889987,0.5923794328142549,0.2697163115022679,0.9910191520483665,0.006171089059252389,0.523554121332197,0.2944212796868288,0.17031901147633285,95.99268899321639,82.17145398981117,193.36357602514798,0.9865287280725498,0.9882944124953588,98.33992539070923,0.8651552034731438,0.5018393129431153,0.9862898731834302,0.008676982543227836,0.5594752944896766,0.6279967694326031,0.5896279525493137,99.70691990712548,134.8643076467837,277.2673640886742,0.9794348097751454,1.7771000164715933,97.5200746504536,0.6608125460035268,0.3458206506746841,0.9897831438939375,0.006706938255044555,0.550185630646137,0.3663747234447618,0.27999517747134356,98.5267078471318,98.3954671103168,219.20771837096993,0.9846747158409064,1.1965555315622425,99.68817333909644,0.9071782424144388,0.547230014223719,0.9856202181742661,0.008969300843441162,0.5749213702577942,0.690485334735417,0.7011138119300766,101.14258159573458,145.48373755605763,296.11503368270496,0.9784303272613992,1.9665205169232878,98.62206710806848,0.8731345989067663,0.5045690083781534,0.9862229323384498,0.008731366008749358,0.5626902137894179,0.6396344118964128,0.5960598204555706,99.9997707153534,136.31253427143238,279.76091335103763,0.9793343985076747,1.7983844461414011 +UMLCN0385,L,dodecyl valerate,CCCCCCCCCCCCOC(=O)CCCC,Esters,,C17H34O2,BioCompoundML (2016),Unknown,PubChem,,67,0,-3.398100000000003,11.547083610000021,62.2897,54.19496199999996,0,0,53,19,34,0,17,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2998.9722349999975,3152.0947740000024,3631.1582060000023,3455.598072999998,3287.0310719999984,3090.274342999998,2695.7827009999983,2466.863715999999,2276.2033709999973,8689.416194318957,11161.986989065046,14723.715039783116,15269.521464661235,14302.415403233315,13295.617058278187,12323.472999680334,11522.610930548726,10702.31505217918,383.3199799999998,385.20888000000025,729.3901280000008,982.4492200000024,911.632800000002,848.7479000000021,785.9587880000017,728.7088960000015,706.1347800000011,63.81454676486605,83.71202653999997,120.48027666897981,131.62983494693978,121.89939044014774,112.87786158075176,105.26040719365781,100.37644358765777,94.02259215735577,8813.606793959467,7568.111948833603,15676.676712958772,22736.482300958378,20888.225091215103,19409.269936176523,17904.078277454646,16819.300808900654,16449.851566007557,137.52777777777777,112.25,198.33333333333331,234.41666666666666,232.25,223.33333333333337,202.58333333333334,171.33333333333334,165.08333333333334,56.58438179245278,60.61720719230774,36.31158206000002,25.22334359854013,26.087548190476177,26.412601222222207,24.96095093518517,24.18493839215685,22.991953242424216,163.9512489494143,214.65359594355857,147.23715039783116,111.45636105592142,113.51123335899457,113.6377526348563,114.10623147852162,112.96677382890908,108.10419244625434,7.232452452830185,7.407863076923082,7.293901280000008,7.171162189781039,7.2351809523809685,7.254255555555574,7.277396185185201,7.144204862745112,7.132674545454557,1.204048052167284,1.6098466642307687,1.204802766689798,0.9608017149411663,0.9674554796837123,0.9647680476987329,0.9746333999412761,0.9840827802711547,0.9497231531046038,166.29446781055597,145.5406144006462,156.76676712958772,165.9597248245137,165.77956421599288,165.89119603569677,165.7785025690245,164.89510596961426,166.16011682835915,2.5948637316561842,2.1586538461538463,1.9833333333333332,1.7110705596107054,1.8432539682539681,1.9088319088319092,1.8757716049382718,1.6797385620915033,1.6675084175084176,0.31256165378349965,-0.16292456495935353,0.0284199236089846,-0.010571903659109885,-0.013747762121208464,0.031438694735475274,-0.0408183944018324,0.0028319553264720665,0.005767632857707652,1618.8403699245246,-20.171730869347783,-438.5244857443927,132.30323785546398,-25.652586386614757,-27.295820135279428,-282.82186067639736,-91.11781974154542,7.851242178710663,2584.3266715621958,-154.7545312676869,-1065.3336393234613,147.65093401231874,0.009341174230151239,-0.20963320479983594,-126.81006160931538,-151.4717800266718,7.901759993539962,2.2345852075471635,0.05442779636880969,0.8320414951940153,-0.04838500818796687,-0.2675240783196896,-0.28061489213243496,-0.6108643474546133,-0.09871915414738178,-0.06377885938056038,11.482504831631228,-1.0444577705138336,-4.950803240168148,0.2766809661340766,-0.02593027556348075,-0.02643879678440668,0.38026189895451723,-0.6741701576318755,-0.03355378717358408,63.18692769039717,-6.270901327310005,-26.77743753458232,0.78596353951826,-0.31553031655053876,-0.32371178528288813,3.474899303016256,-3.696424427604246,-0.3365277587364226,41.96750524109018,0.5638523001463549,11.16508445077329,-0.6225030655432917,-5.166459000830685,-1.4408449032870507,-9.548564139076815,-1.9343182627269488,-1.508484632728134,0.005897389694028295,-0.003133164710756799,2.84199236089846E-4,-7.716717999350281E-5,-1.0910922318419415E-4,2.687067926108998E-4,-3.77948096313263E-4,2.776426790658889E-5,5.825891775462275E-5,30.544157923104237,-0.3879179013336112,-4.385244857443927,0.9657170646384232,-0.20359195544932346,-0.23329760799384125,-2.6187209321888645,-0.8933119582504453,0.07930547655263297,48.76088059551313,-2.976048678224748,-10.653336393234612,1.0777440438855383,7.413630341389872E-5,-0.0017917367931609908,-1.1741672371232905,-1.4850174512418806,0.07981575751050467,0.04216198504805969,0.0010466883917078786,0.008320414951940153,-3.5317524224793336E-4,-0.0021232069707911873,-0.002398417881473803,-0.005656151365320493,-9.678348445821743E-4,-6.442309028339432E-4,0.21665103455907977,-0.020085726356035262,-0.04950803240168148,0.0020195690958691725,-2.057958378054028E-4,-2.25972622088946E-4,0.0035209435088381226,-0.006609511349332113,-3.3892714316751597E-4,1.1922061828376824,-0.12059425629442318,-0.2677743753458232,0.0057369601424690515,-0.0025042088615122122,-0.0027667673955802403,0.03217499354644681,-0.03623945517259065,-0.003399270290266895,0.7918397215300034,0.010843313464352978,0.1116508445077329,-0.004543817996666363,-0.0410036428637356,-0.012314913703308126,-0.08841263091737792,-0.018963904536538713,-0.015237218512405394,-0.5312799176098953,0.048190682799481015,-0.013084972165166972,-0.018501274096686927,0.045563682671842534,-0.06408735320577064,0.004707891007220198,0.009878763449126622,-0.012700232309897207,-0.143570658208483,0.0316170793468801,-0.006665495770479967,-0.007638043536219739,-0.08573557466477115,-0.029246573452749388,0.0025964204595944895,-0.061033530196306536,-0.21848121410290752,0.02210263700579497,1.5204053435556819E-6,-3.6745373981737784E-5,-0.024080107306990162,-0.030455099110300494,0.0016368809696568347,0.024825405884347652,0.19734400414154746,-0.008376627472481555,-0.05035832559522475,-0.05688579128188319,-0.13415287157075617,-0.02295515364086764,-0.015279899703479236,-0.09271004127403773,-0.22851509803513476,0.00932176068293108,-9.498954769555148E-4,-0.001043025815910998,0.016251681031682206,-0.030507638067750507,-0.0015643919903603877,-0.10115218158606208,-0.22460408207955118,0.0048120536741505324,-0.002100483035200932,-0.0023207121682549876,0.026987776115926586,-0.030396969663698356,-0.0028512436348685686,0.013693823597787418,0.14100182331343472,-0.005738305206370219,-0.05178275571287053,-0.015552280806920223,-0.1116547055085161,-0.023949170546656084,-0.019242806464626245,1.6119432760834744,0.9795246995733226,1.017992252322443,1.1860215577902948,1.2000574668043973,1.2387704420486767,0.8214159019603885,0.825250441270143,1.2860924447399777,1.2465062351602227,0.9319485368957768,1.0088727677036717,1.0200022430385958,1.1131003620996038,0.9853244045811705,0.9366200300215397,1.5009089535747955,1.386144495780752,0.9396320730267842,0.9630869099347242,0.9597370969153667,0.9859293760396767,1.0167460716775,0.9560443333174512,0.7338578965176416,0.715806403173928,0.9635687725288944,1.2472277011480877,1.3337343776577413,1.502582517474129,0.8217474894722576,0.835499755226939,1.5884468685080342,1.419324083699133,0.9498599034127587,0.9610964340039085,0.9571171542371993,0.9427493924410271,1.0181120845711957,0.9568887776517354,1.6027997720290221,1.4183320738996419,0.9534610773834572,0.9652891855402823,0.9626358186525965,0.9380127545053394,1.0152347060658442,0.9551100345757005,0.5877563253990055,0.5076679071858526,0.8290506464002542,1.24970711615565,1.295976221994654,1.4838052579142058,0.8118637319303167,0.8302078153465613,227.0291980986226,113.7645990493112,180.58020049050486,227.47656651967512,11.972450869456583,113.7645990493112,0.49999999999978684,0.1459199492018346,0.007679997326412347,-3.6569244914811807,148.42398465273658,7.811788665933504,9.500138584713847,227.05672099351722,113.77762607585728,180.60084910136987,227.50277518769377,11.973830273036516,113.77762607585728,0.49853115819733773,0.14576149010024386,0.007671657373697046,-3.6589888828484307,148.39890956770233,7.810468924615912,9.499817567281525,251.51541191317799,125.35871147853089,199.48015863502357,250.8014217945477,13.200074831291985,125.35871147853089,-0.7979889561161997,0.017325280597276116,9.118568735408482E-4,-7.705618222098069,327.02510725972013,17.211847750511584,11.001070202265023,227.08560693209753,113.79129826626759,180.62252186733787,227.53028183775223,11.975277991460645,113.79129826626759,0.49698960043764373,0.14559521652190177,0.007662906132731673,-3.661157494903456,148.37283325129698,7.809096486910367,9.499483674298137,277.5862108613768,137.71081116634915,220.57452182477405,275.6494737567698,14.507867039829987,137.71081116634915,-2.164588528678536,0.09303908541794809,0.004896793969365688,-4.511997641534636,179.32106210912193,9.437950637322206,9.859437900278119,229.91230863263206,115.12928850219431,182.7509940932935,230.22212770209842,12.116954089584128,115.12928850219431,0.34626837175657954,0.12948852258278953,0.006815185399094186,-3.8839097579017943,146.91093074993037,7.732154249996335,9.480670330759327,230.78922163007707,115.53443491277136,184.5863826998175,231.59481404248038,12.189200739077915,115.53443491277136,1.1774042950510335,0.23550373132100644,0.012394933227421391,-2.747454190661188,486.04023288696885,25.581064888787836,11.753953667965094,0,11.890000000000011,15.995923191176153,-0.31568238736414367,0.26151367572164186,4.271744747716759,7.579809020709953,18.0,52.0,51.0,51.0,17.0,1.0,1.0,0.0,0.0,1.0,40.04303799999999,3.5772919835198573,3.5142280751149717,3.393391826134189,3.2334230419104233,3.1073523397530596,2.9118589380707673,2.642856846005254,2.4430842646380135,1.941265672903118,1.8567500691091325,1.8326651385915682,1.7034056025737077,1.5319130972349033,1.4559564966792875,1.3085404654940451,1.115972905840639,3.5624806310690103,3.4883451852856298,3.4194353190552516,3.244365495897436,3.0716021358351373,2.932877708698614,2.671902090359187,2.430965127275808,1.885035504698132,1.8169576316452587,1.7720248179023836,1.642894281744657,1.4927508428615905,1.3942991474324686,1.2230620789092987,1.0384339074137805,3.6947633936748487,3.6447729027496782,3.5559618277272205,3.409169403129885,3.272722675994081,3.121051107362047,2.895592908732375,2.705391632413933,1.7073824141062077,1.6196405602256558,1.5777420137640292,1.4203356177176332,1.235780934044422,1.135155852615406,0.9227999337279296,0.6928653054725675,3.5809320474632385,3.4916735068558977,3.440153736228723,3.2641583730548103,3.0718276560568123,2.9551096513760986,2.70280925739762,2.4482795874835133,1.8521336056221156,1.7993357172748123,1.732604244509161,1.605700842005972,1.472104901640712,1.3501378427177582,1.1672297532582216,0.9939838977921428,3.746677656714374,3.6840915552059585,3.6192050199692054,3.4746918001328866,3.3252154307010504,3.1996372782553317,2.9917265959232453,2.7950825337130087,1.6533850470494749,1.5742874925641996,1.5188442487508085,1.3561053744716125,1.1816006885188979,1.0623515528423102,0.8306713361120287,0.6016589838976862,5.136579375388812,3.6051238913695816,3.5318374655482256,3.4519521400978146,3.3774849311161614,3.1731276151175005,2.9380442032952665,2.8400879944345676,1.807758624455303,1.6920148947886577,1.6425656519200074,1.5079506493913275,1.286603882690178,1.1412208166958613,1.0319021598383291,0.7976509825862927,0,0,1,0,0,3,13,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4505237851453038,0.08333333333333333,0.08838834764831845,0.09196278254943947,14.183951986987843,9.308060412490448,6.571609281238178,4.3509536313039,2.8539362672585162,1.9528242655872443,1.1481293657166554,0.7493500601776565,0.7465237887888339,0.5171144673605804,0.36508940451323213,0.25593844890022943,0.17837101670365726,0.13018828437248295,0.0883176435166658,0.06244583834813804,13.215991517539395,8.464690378025045,5.506004086390223,3.4953948993433333,2.168786219899244,1.3768699740241175,0.8341747114882978,0.5273505951877072,0.695578500923126,0.470260576556947,0.30588911591056794,0.20561146466725488,0.13554913874370275,0.09179133160160784,0.06416728549909984,0.04394588293230894,27.640670873193518,51.7545520757466,49.03137254901956,49.72000000000004,31.535905389221604,407.78937844311383,0.5215220919470475,0.9765009825612566,0.9251202367739539,0.9381132075471706,0.5950170828155019,7.694139215907808,5.640700000000007,82.32800000000006,119.14180738764105,188.67318461434542,238.2836147752821,12.541242882909584,119.14180738764105,0.08189346798900754,0.0043101825257372385,-4.754438489751746,151.73370408168688,7.985984425351941,9.542041371367105,461,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,14.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.417222797656425,-0.01594986205622062,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.785582001129475,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.351788748061429,0.0,16.413604983005033,0.0,0.0,0.0,0.0,0.0,0.0,-0.01594986205622062,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.240060447836317,5.177162349820109,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.177162349820109,-0.01594986205622062,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2127482255229508,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0927922594176107,0.0,0.5915277777777778,0.0,0.0,0.0,0.0,0.0,0.0,-0.01594986205622062,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.240060447836317,5.177162349820109,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.240060447836317,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.258996488643818,0.0,1.4069559228650137,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.240060447836317,5.177162349820109,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,37.16666666666667,1.9561403508771933,0.5559027777777779,11.240060447836317,0.027995090704672765,-0.01594986205622062,9.79357927152089,1.6826165287228874,4.240060447836318,12.538023091435711,1.6826165287228874,4.240060447836318,12.538023091435711,9.16666,0.48246,0.0,0.01754,0.47233,0.7807,0.42881,0.47233,0.7807,0.04351,0.0,-0.04351,0.0,0.61798,0.09631,0.0,0.14545,0.05455,0.0,11.25,0.59211,9.75,0.51316,1.5,0.07895,-8.25,-0.43421,0.0,0.0,22.6082,1.18991,26.54676,3.93855,0.20729,8.25049,0.43424,9.30805,1.05757,0.05566,0.10595,0.00558,0.10595,0.00558,0.0,18.02,2,2,2,2,0,0,0.9411764705882353,1.1154562110958914,1.6148395751072484,2.75530017113613,3.505761256245891,3.8831197468119276,4.248554945948733,59.11917918808225,85.58649748068416,146.03090907021488,185.8053465810322,205.80534658103215,225.17341213528286,0.19474017140151678,0.28192423199955086,0.4810297546889107,0.6120478250449506,0.677928364685722,0.7417272952113159,4.612464243467308,4.113080879455952,2.97262028342707,2.222159198317309,1.844800707751272,1.4793655086144666,0.19474017140151678,0.28192423199955086,0.4810297546889107,0.6120478250449506,0.677928364685722,0.7417272952113159,9.581974988963779,15.7253268521944,20.404558222311177,22.35039797676984,24.703032154012764,24.813091151294422,70.4946406984941,54.71894451837466,44.28791714469898,37.824682628993756,31.21320827362103,28.995938095220797,19.0,16.055555555555557,15.944636678200691,19,3,12,3.11,2.5783000000000005,0.058823529411764705,4.1732695708674905,0.27735009811261463,0.0,20.701705544696676,2.954756758150067,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,8.847,18.0,17.0,16.0,15.0,13.0,12.0,11.0,10.0,9.0,158.0,2.995732273553991,3.044522437723423,2.995732273553991,2.9444389791664403,2.8903717578961645,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,5.153291594497779,1.0886075949367089,0.47058823529411764,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,0.8333333333333334,17.0,0.9444444444444444,2,9.0,17.0,0.8888888888888888,1.5,0.666666666666667,0.375,0.24000000000000007,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.08333333333333333,0.037037037037037056,0.022058823529411766,0.015000000000000005,0.0074074074074074086,0.006279434850863422,0.005208333333333333,0.0044893378226711555,0.004000000000000001,0.0036730945821854912,0.20658377087004898,119.14180738764105,188.67318461434542,238.2836147752821,12.541242882909584,119.14180738764105,0.08189346798900754,0.0043101825257372385,-4.754438489751746,151.73370408168688,7.985984425351941,9.542041371367105,26.3,317.5321920408567,5.247927513443585,4.290459441148391,4.962844630259907,5.659482215759621,6.3473892096560105,7.050122520269059,7.744569809354496,8.450412157725886,9.148358579620302,9.856238699935517,100.5098772637292,3.6109179126442243,0.0,4.6913478822291435,0.0,5.905361848054571,0.0,7.183111701743281,0.0,8.498418036089904,8.817594036275793,270.2558803280004,5.099167553358498,36.649914607167624,1.9289428740614538,5.467803689361963,5.467803689361963,0.0,1088.0,17.0,7.533999999999999,72.0,1.2427115384615384,2.142872722898227,2.8677434422063794,3.6306546486177984,4.936173222306341,5.944867671064032,7.226631674366312,8.29096486356647,9.58228442338773,10.72267298494522,86.74065383113465,85.97784539736038,85.83869958622353,119.00435922316512,151.49574978245548,173.3568475938844,197.69805259082804,215.73608005011025,244.77819295400582,274.32402689313744,292.4298748986051,336.36958741175613,351.8601725388022,481.9434175350739,616.0780259736091,752.0170101526554,880.7002573604434,970.5362178865435,1098.3233257826885,1222.6996692286682,9.252244711000007,15.6958815500079,20.63449240170179,26.471290786463918,35.96372165049685,43.46793403285999,51.79952456965429,59.35882912380851,68.68117953884533,77.05513964615557,2.136535269211922,2.703127862235555,2.934238482862321,3.9476436206746626,5.087312483963168,6.25505589594173,7.504056168084321,8.339163110034612,9.454423124475671,10.507887255386754,178.74432413509177,332.6561673513383,472.1621549457268,587.8383918441783,809.8050682210228,971.2423271084898,1180.2685626795774,1362.9156553307887,1581.7926194480417,1771.7845609322483,2.757544871794872,4.3821544226012685,5.025845083946064,6.955431968372285,9.658144295953296,11.377053369035703,12.376556584065215,14.129414607466634,16.545233140040327,18.922761468493402,0.4580684134615382,0.5950035565093149,0.6550346901787544,0.8863819339168169,1.1517594586866966,1.4047188582199015,1.6571752829303734,1.8497041290988145,2.1077216502040335,2.35473855534998,737.5401881102125,973.8004341837658,23.855179321114086,207.73180919516736,-274.2756655828558,-21.66907504752837,529.8083789150452,1248.0760997666216,45.52425436864246,0.780241232378264,1.0301801354104534,0.02523631228801484,0.21975876762173616,-0.2901552847907419,-0.022923640083805374,697.1760867079261,920.5062813977343,22.549633002947502,196.3630621817759,-259.2651062177685,-20.48316984993731,0.19801737190572638,0.2390371737759102,2.839684966255671,3.0565707863410467,888.839650281255,56.432347024124766,0.940300413865012,0.05969958613498811,1268.881851236914,35.621367902382886,10.82614223445018,1598.2410780176938,39.9780074293066,11.691783448781864,2273.747042221563,47.683823695479404,13.149645625964306,4.607745371566185,4.607745371566185,10943.499728419232,10850.064027104318,146.78666151018115,1.0086115345569855,74.5537749535927,73.91723413746115,7.764464522083756,11.515780587298694,22.093761831203658,0.9185639795509759,9.495844874395443,14.726718765460632,6.509316006743661,64.86772606289337,23.3101914835175,1.733589378715936,14.95294373187772,13.545080594938783,40.439452160874154,1.5128012735889285,7.908642731962553,36.93497386696963,7.284041867618479,34.51388756953333,3.4326565196096444,15.262815956765076,18.434953462077335,7.865435321949006,23.66056441475699,4.163402281004567,22.00812885239153,9.838714800652964,9.32317986938888,9.902031521699964,3.9746283508252396,25.09977067652823,4.747365745596843,11.925767583571252,0.039890918195199764,1.446973363245737,0.8134279795732424,14.877220738206965,0.5396402878931764,16.138448953397067,0.2284837566067554,1.689270672997678,3.02743743428335,0.7245358396663043,9.891901272851523,0.07524576650933873,5.009168981164288,2.2698855106247646,0.6344326452184286,6.916026506795199,0.0804287100790239,4.921959044008848,0.7284155445886431,0.8520195390363144,4.339650442210288,0.11005339174650186,5.160598450469952,0.2918594264654069,1.1858539985822136,1.876820662945054,0.1351961722767431,5.209591257151586,0.19893155546645913,1.718369709968166,0.020618003385506935,0.11683722723964439,2.5784272379521473,14.596170047265261,1.477653767147042,18.657999657639497,1.760454031632659,1.516732879874296,4.466152519778996,2.0297541783395148,13.34756857016268,0.2769281596940407,4.909637465160669,7.543743034869416,1.2826463048251893,10.945317689462277,0.39646038317193977,6.538423205469859,2.8053344730094008,1.5082244287747943,7.296486921249556,0.5129814572572582,7.718714036513616,1.2896852161072088,1.982479909670404,3.1242169371481285,0.5671381302967198,7.735817125825912,0.7732874662013793,2.7742302798577763,0.013639498507560526,0.2344813237963704,8.968418058111316,14.877232000240681,6.610140890862296,61.145047446271846,20.831962612922126,1.8156792710860952,15.345605305757454,12.757940775772045,38.751432102350094,1.3923456024454737,8.328335219297582,34.71133464067559,6.626967912116994,32.6628337112446,3.0971681396118687,14.611050003873364,16.97117024481868,7.165818241971192,22.337706822773534,3.7651039285902885,21.054706008677144,8.921440685276947,8.531336813854052,9.38206452098293,3.615137197049385,24.04435615028012,4.343723720251862,11.304002557902418,0.042477714274970685,1.649396208647733,3.7925455969595774,14.489408774940525,2.064546538225357,22.425584477020955,3.746486447808929,1.4598826747776847,5.525370206032326,3.205964485234297,16.283526865729243,0.44262054320764943,4.947937056170127,11.563953172363597,1.9380267948974244,14.095473386251644,0.7227411772139208,7.802550687165248,4.64595369764497,2.1883034131434895,9.572733028255268,0.9156060005874389,9.75257187743776,2.256095116202602,2.7842449499724435,4.072649394313792,0.9680999451137362,9.942361328674352,1.2726795862129066,3.714402758030839,0.012466281726944984,0.2751569020978237,11.467630932085552,14.822403583121984,8.479387060801946,87.52250350136933,33.97141571614942,1.8607942526052232,18.97455133785063,18.7751292132137,52.248346450057994,1.9956740275490004,9.380247002416969,48.01096539231184,10.00480406882681,43.56401563598505,4.822727830245718,18.251658848097794,25.121902483662748,10.781161534083255,29.750205720337696,5.808611799772157,26.847769999823203,13.631059826020488,12.643396878380223,12.398128211933479,5.446958949646255,31.41632830196017,6.384373116732595,16.076512681786426,0.05310748894867211,2.0989165463657278,6.183418075068141,14.717896572976569,5.2330032218288105,45.28493164069193,9.917844004838248,1.939429311585609,15.14896750217583,9.584662402239042,27.645237341181065,0.8261257238910297,9.076714881976265,23.65835134773355,3.5435536048506147,22.04606975918889,1.5437344733337561,11.245645950346066,10.179113857044184,3.9003911485564093,15.147487493167107,1.9054121433898992,16.24092588459837,4.628873337227077,4.8173094069750935,6.781998636322449,1.8986616492173178,19.093176581367885,2.397946897603612,7.348749367537803,0.05451340446872596,1.594584535131606,44.44296805205965,0.8293297101093695,0.4994030999999998,0.9709704296523621,0.01811883094767891,0.5570258998625661,0.6355219777108488,0.6037632988542437,45.77170086216902,59.466999657564855,123.64563696036336,0.9564556444785431,1.796311176427659,40.38457227510003,0.44841467171693594,0.09864825541361487,0.9866347160471924,0.010955210303753014,0.4599894634090674,0.18380197919393781,0.023558251863154515,40.931635202230574,22.13713764479825,64.85519752929932,0.9799520740707887,0.6673496944661597,42.517396140262214,0.5636949445421843,0.25942379915933805,0.9810080995598398,0.013006189383106636,0.5098034259427583,0.2935667697469722,0.1629235529545487,43.340514883963735,35.14310158051264,84.70118547782914,0.9715121493397597,0.9662937486442793,44.12148228046823,0.8253190768133205,0.482739697051745,0.9712068679650396,0.018167013305862956,0.5489961962520868,0.629355624783303,0.5641443841593048,45.4295410543333,58.111906294010375,121.12007599270733,0.9568103019475596,1.7424962051946946,43.37367008715978,0.6283194468890727,0.33511692340516414,0.9782702019307743,0.014171413001252334,0.5305453248299661,0.3647297321038808,0.27186729284948724,44.33710645745402,41.99833175507003,95.46821900357735,0.9674053028961616,1.1671423497833342,44.61821015101045,0.8660585909870129,0.5285230199406669,0.9696914367173591,0.018822126583143303,0.5614271193028401,0.6930785976229731,0.6762263006080951,46.01279176193813,62.681467291059924,129.117437247204,0.9545371550760386,1.9307320175339082,44.29774022410332,0.8329382452505065,0.4855122588841029,0.9710968740903997,0.018259706300615984,0.5533923991319253,0.6408787562874607,0.5706431945396525,45.616190728237925,58.808779659455524,122.33905312345404,0.9566453111355995,1.7649143499590383 +UMLCN0386,L,ethyl laurate,CCCCCCCCCCCC(=O)OCC,Esters,,C14H28O2,BioCompoundML (2016),Unknown,PubChem,,73,0,-2.244299999999999,5.0368824899999955,52.9345,44.91420399999996,0,0,44,16,28,0,14,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2560.0834879999975,2646.6598830000007,3050.0325949999997,2821.4479219999967,2663.003256999998,2318.4879629999973,2079.4466419999953,1882.6899129999956,1685.9331839999963,7232.363022485372,9203.016585593943,11983.073704796103,12337.190843724302,11635.559483410716,10761.853477469991,9695.516707224051,8688.718362268903,7681.920017313765,320.387648,319.8815400000001,601.2016040000009,793.6546880000018,716.5759960000013,694.2375000000011,643.2498800000006,580.3649800000002,517.4800799999997,52.780169335772044,68.66406067999999,97.41720623443288,105.4360320447518,98.77977932026181,92.95921868626185,85.00106329795982,75.97953443856392,66.95800557916805,7323.7178135439735,6268.993594286201,12904.070116061233,18305.129592500893,16297.096987185168,15895.898483950512,14970.896410968964,13491.941255930367,12012.98610089177,124.77777777777777,96.5,171.58333333333334,195.75,191.83333333333337,180.08333333333334,152.83333333333334,140.58333333333334,128.33333333333334,58.18371563636358,61.55022983720932,37.19551945121951,25.649526563636332,26.89902279797978,24.150916281249973,23.104962688888836,23.24308534567896,23.415738666666616,164.37188687466755,214.02364152544052,146.13504518044027,112.15628039749366,117.53090387283551,112.1026403903124,107.72796341360056,107.26812792924571,106.69333357380229,7.281537454545455,7.439105581395351,7.331726878048792,7.215042618181834,7.2381413737373865,7.231640625000011,7.147220888888896,7.164999753086422,7.187223333333329,1.1995493030857283,1.5968386204651162,1.1880147101760108,0.9585093822250164,0.9977755486895132,0.9683251946485609,0.9444562588662202,0.9380189436859743,0.9299722997106673,166.4481321259994,145.79054870433026,157.36670873245407,166.41026902273538,164.61714128469868,165.5822758744845,166.3432934552107,166.56717599914035,166.84702917905236,2.8358585858585856,2.244186046511628,2.0924796747967482,1.7795454545454545,1.9377104377104382,1.8758680555555556,1.6981481481481482,1.73559670781893,1.7824074074074074,0.29903175311227714,-0.1622493533620382,0.04495313616603176,-0.025907525810005758,0.003767449474319273,-0.015409116896980187,0.0023810363816606436,1.1185149186926369E-4,-5.434944848073408E-5,1374.7290021818199,-19.32038258677847,-312.58695342975363,86.49999181818121,-118.26347827272832,-226.65922157851338,11.526498264462578,9.142281528925412,6.75806479338836,2133.8080800908238,-153.93994964664492,-836.5188146982529,236.86131978449117,-159.21805300034362,-212.88714206823573,9.79378297572891,9.476066534254024,9.158350092779138,2.1713847272727294,0.04829038016529226,0.838581190082647,-0.22937818181818248,-0.23889236363636357,-0.3796423140495867,-0.06033930578512675,-0.07933315702479538,-0.098327008264464,9.469043725008012,-1.0478744358809748,-3.958818611616969,1.139509202589999,-0.6608988963309934,-0.4885607981610022,-0.039776682310004544,-0.04051451087900461,-0.041252339448004674,52.243247362526034,-6.305078058978985,-21.452737247101382,6.212313410862826,-3.60535490487877,-1.995911099448362,-0.395060078824375,-0.4069308152237414,-0.41880155162310073,41.13131313131315,0.38177226813590537,12.187098255280095,-1.8762626262626254,-2.5757575757575815,-8.309228650137708,-1.4655647382920156,-1.8705234159779662,-2.275482093663916,0.0067961762070972076,-0.003773240775861353,5.482089776345337E-4,-2.3552296190914324E-4,3.805504519514417E-5,-1.605116343435436E-4,2.6455959796229375E-5,1.380882615669922E-6,-7.548534511213066E-7,31.243840958677723,-0.44931122294833653,-3.8120360174360197,0.7863635619834656,-1.1945805886134173,-2.3610335581095145,0.1280722029384731,0.11286767319661004,0.09386201101928278,48.495638183882356,-3.579998828991742,-10.20144895973479,2.153284725313556,-1.6082631616196326,-2.2175743965441224,0.10881981084143233,0.11698847573153115,0.1271993068441547,0.04934965289256203,0.0011230320968672618,0.01022659987905667,-0.0020852561983471136,-0.0024130541781450868,-0.003954607438016528,-6.704367309458528E-4,-9.794216916641405E-4,-0.001365652892562,0.21520553920472754,-0.02436917292746453,-0.04827827575142645,0.010359174568999992,-0.006675746427585792,-0.005089174980843773,-4.4196313677782824E-4,-5.001791466543779E-4,-5.72949159000065E-4,1.1873465309665008,-0.14662972230183688,-0.2616187469158705,0.05647557646238933,-0.03641772631190677,-0.020790740619253772,-0.004389556431381944,-0.005023837224984462,-0.00581668821698751,0.9348025711662079,0.008878424840369893,0.1486231494546353,-0.01705693296602387,-0.02601775329048062,-0.08655446510560112,-0.016284052647689062,-0.023092881678740323,-0.031603917967554386,-0.5552005511453602,0.08066432666387346,-0.03465521710034357,0.005599478888643809,-0.023617933004138742,0.0038927713158174986,2.0318522851539287E-4,-1.1107031779620686E-4,-0.01438079343517923,-0.12200919926835237,0.02516859444469357,-0.03823411437132003,-0.0755679674990074,0.004099118386496014,0.003612477523038407,0.0030041764437164493,-0.07382104789336628,-0.21035807222607633,0.044401616432984806,-0.033163047685268794,-0.045727295888666926,0.0022439092445555,0.0024123504734166494,0.0026229020094930867,0.022756636187739526,0.2072273922842124,-0.042254728779691234,-0.048897085120304495,-0.08013445295402606,-0.013585439646464076,-0.01984657711365096,-0.027672998947634562,-0.11323673645910132,-0.22433565571701555,0.048136189278776824,-0.031020328065231986,-0.023647973930644883,-0.0020536791869347915,-0.0023241927159623507,-0.0026623346272468,-0.12349362084081739,-0.22033899968774295,0.04756452727951138,-0.030671522897584683,-0.01751025507467487,-0.0036969463563504435,-0.0042311465894418,-0.0048988968808059115,0.009497647005071523,0.15898881115530233,-0.018246561886051067,-0.027832351015062262,-0.0925911714145379,-0.017419777341191926,-0.02470348541075462,-0.03380812049770797,1.612650891278007,0.9505977126801668,1.0668448280658798,1.0046152864648543,0.9097645428071688,0.761335096930514,0.8262335735432503,0.904415619571712,1.2502684814768152,1.203158034781312,0.9361671955796362,1.023809523809523,1.0503776479347133,0.9190963450778121,0.927716664373035,0.9384920634920628,1.5012862824363424,1.361025221200068,0.908450820420618,1.0238095238095244,1.0136888752294388,0.9524254213608945,0.9462328178636364,0.9384920634920638,0.7224514294020662,0.7084954704616981,1.0208153054573623,1.0238095238095222,1.0822022500137307,0.7716669260552097,0.8458114315826998,0.9384920634920623,1.6073509036281406,1.401243552113649,0.9010318856260736,1.0238095238095222,0.9908090857259368,0.9539175024860076,0.9470617518220318,0.9384920634920624,1.6246167594267267,1.4006769843228295,0.9009769753077234,1.0238095238095248,0.9851032144032716,0.9507788758672259,0.9453180703671544,0.9384920634920649,0.5814710216110016,0.49048903277588746,0.8585216110019643,1.2104309921414533,1.3104202480353628,0.7647143091028156,0.8432292803609106,0.9413729944335294,160.7042972036645,80.60214860183223,129.1513225891012,161.1417972036644,10.071362325229025,80.60214860183223,0.49999999999992895,0.14726723820375925,0.009204202387734953,-3.0648102331274103,224.2556059217159,14.015975370107244,8.660458398660044,160.7204449257447,80.60948804197105,129.16030547751876,161.15665968916744,10.072291230572965,80.60948804197105,0.4985311581973946,0.14712612226017185,0.009195382641260741,-3.0663441367907067,223.32092896263603,13.957558060164752,8.65377580834567,175.24595503373823,87.22398303881107,137.45797160526018,174.54771469713666,10.909232168571041,87.22398303881107,-0.797988956116086,0.02024515629488588,0.0012653222684303675,-6.239743534969005,115.76315911778701,7.235197444861688,7.602474195499906,160.73739288669728,80.61719124356755,129.16973409221347,161.1722587870803,10.073266174192518,80.61719124356755,0.49698960043781426,0.1469780138591259,0.009186125866195369,-3.067955630357801,222.35722452796588,13.897326532997868,8.646856332995176,191.03340578439406,94.43440862785789,147.00225777942353,189.13939082180056,11.821211926362535,94.43440862785789,-2.16458852867828,0.11739413999006759,0.0073371337493792245,-3.4275492603834543,123.61545017017919,7.725965635636199,7.707480861741478,162.39850670909235,81.37238754042443,130.0966398234495,162.70149153437927,10.168843220898705,81.37238754042443,0.3462683717565085,0.1324652576795316,0.008279078604970725,-3.2342957986082057,171.18324286333205,10.698952678958253,8.228375325513353,167.1495873810798,83.73344699970161,136.46332826654978,167.89971570358028,10.493732231473768,83.73344699970161,1.176984126984209,0.22710995784313243,0.014194372365195777,-2.3717135727964416,126.66104348140865,7.916315217588041,7.746423311198516,0,11.89,15.99592167827035,-0.3159563471121521,0.2614973161428671,4.192691056977798,7.578685929904404,15.0,43.0,42.0,42.0,14.0,1.0,1.0,0.0,0.0,1.0,33.48379599999999,3.576475417700857,3.4838121729914326,3.315846459675571,3.110448793120171,2.9470418409763064,2.702146581176714,2.3838052327671413,2.0611495232680412,1.9389750875289484,1.8418008940104262,1.701345258418997,1.63585407488033,1.4802389787882853,1.269619316266289,1.0645105217006496,0.9057923202574363,3.564996995194831,3.4590827268331896,3.293368551702625,3.121057695298463,2.956161929993297,2.696981554727517,2.393713583204319,2.0946177611815506,1.8834783166271782,1.7937010629057506,1.6715821947776248,1.5701038017451503,1.4127143626525762,1.2070764992741643,1.0001299619199866,0.8280058058068029,3.696156175783277,3.6127922951562152,3.470586492903091,3.307981247584801,3.14743086929282,2.9227529644053942,2.6609288887536664,2.409967414080133,1.706754580406305,1.5989851021673982,1.4411037199553671,1.3178865977686778,1.1577392186084046,0.9128024608102289,0.6552131511465366,0.4250590297747561,3.5819063745176156,3.4685189176621143,3.296572234478599,3.13829411503735,2.9779373652605305,2.7125928341006507,2.4148616013510167,2.128666118081267,1.8511758716053537,1.7717809166390974,1.6531207527055094,1.5257878325063086,1.3710927825772883,1.170194527312973,0.9565148474205367,0.7660215872953727,3.7468858193199623,3.655765884211733,3.519820593261163,3.3825839046604416,3.221710628633903,2.9990915573768127,2.7566403925990657,2.53388779793156,1.6539916090006248,1.5488965490618938,1.3921548800158425,1.247446045721358,1.0847480456769727,0.837465588329155,0.5652700815280595,0.3099166718475399,5.101318562748838,3.5771648189755796,3.4898180078028096,3.4390254481483216,3.235903433073985,2.966600399468999,2.710306874064293,2.578635281209929,1.8120676345745703,1.6843204761938146,1.490443370756846,1.3386997280262682,1.2339107827116558,0.9803210219141507,0.7307969488801238,0.5168106771735865,0,0,1,0,0,3,10,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.49279927982674443,0.348461712529338,0.08333333333333333,0.10059223176554563,0.07112944921610614,12.0626316434282,7.808060412490448,5.510949109458356,3.5819512300735075,2.440596298730717,1.396638047739347,0.8991838867713151,0.5733190238696736,0.7539144777142625,0.5205373608326965,0.36739660729722373,0.2558536592909648,0.18773817682543975,0.12696709524903155,0.0899183886771315,0.06370211376329707,11.094671173979751,6.964690378025045,4.3834482945665565,2.7897794361340935,1.8131541604407757,1.1154269355176072,0.7003376023743115,0.4327134677588036,0.6934169483737345,0.46431269186833635,0.2922298863044371,0.19926995972386383,0.13947339695698274,0.10140244868341884,0.07003376023743116,0.04807927419542262,23.015187461835907,43.09104151493084,40.85490196078429,41.44000000000001,26.1402419161677,338.7046131736527,0.5230724423144525,0.9793418526120646,0.9285204991087338,0.9418181818181821,0.5940964071856295,7.697832117583016,4.470400000000005,68.47700000000005,84.0662416750125,133.2537565657986,168.13248335002504,10.508280209376565,84.0662416750125,0.08308196957703762,0.005192623098564851,-3.9806841172184315,130.6066304014652,8.162914400091575,7.7955039749190895,317,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,11.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.902869659951639,-0.03662426396688612,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.995894094408601,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.1007794243610505,0.0,12.699641846320862,0.0,0.0,0.0,0.0,0.0,0.0,-0.03662426396688612,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.027929532353753,4.8749401275978865,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.8749401275978865,-0.03662426396688612,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.21504972057856675,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8553590306113823,0.0,0.5101804610733183,0.0,0.0,0.0,0.0,0.0,0.0,-0.03662426396688612,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.027929532353753,4.8749401275978865,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.027929532353753,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2454203937496686,0.0,1.3882201646090535,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.027929532353753,4.8749401275978865,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,32.66666666666667,2.041666666666667,0.5559027777777779,11.027929532353753,0.1582728684824506,-0.03662426396688612,7.89792810246996,1.7032909306335529,4.027929532353753,11.296580107402617,1.7032909306335529,4.027929532353753,11.296580107402617,7.66666,0.47917,0.0,0.02083,0.4803,0.79583,0.428,0.4803,0.79583,0.0523,0.0,-0.0523,0.0,0.60209,0.1122,0.0,0.17391,0.06522,0.0,9.75,0.60938,8.25,0.51563,1.5,0.09375,-6.75,-0.42188,0.0,0.0,17.62044,1.10128,21.20647,3.58603,0.22413,6.72862,0.42054,7.80805,1.07943,0.06746,0.10595,0.00662,0.10595,0.00662,0.0,15.02,2,2,2,2,0,0,0.9285714285714286,1.1433201021277661,1.706357463396531,2.8635245848943027,3.5407410643743384,3.889122892960006,3.9702091769252417,50.30608449362171,75.07972838944737,125.99508173534932,155.79260683247088,171.12140729024026,174.68920378471063,0.209421086661242,0.3125522183612306,0.524509653187863,0.6485548884405894,0.712367727014548,0.7272202409078303,4.316111516509531,3.7530741552407663,2.5959070337429946,1.9186905542629589,1.5703087256772914,1.4892224417120556,0.209421086661242,0.3125522183612306,0.524509653187863,0.6485548884405894,0.712367727014548,0.7272202409078303,9.968326343312846,16.90636170671984,20.79010930465203,22.982011528326478,24.357356696612438,23.41484024260107,59.01754857028618,43.55853136264103,37.57531972365107,30.890847814569447,26.911206437055988,28.855185194924434,16.0,13.066666666666666,13.0,16,3,12,2.78,2.1556000000000024,0.07142857142857142,3.83525104268435,0.34815531191139576,0.0,15.90011901524786,2.6162800405704547,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,7.3500000000000005,15.0,14.0,13.0,11.0,10.0,9.0,8.0,7.0,6.0,124.0,2.833213344056216,2.8903717578961645,2.833213344056216,2.772588722239781,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,4.927253685157205,1.1048387096774193,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,0.8,14.0,0.9333333333333333,2,7.0,14.0,1.0,1.5,0.666666666666667,0.375,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.1,0.04444444444444447,0.026785714285714284,0.01230769230769231,0.010101010101010104,0.008163265306122448,0.006944444444444444,0.006172839506172838,0.005714285714285715,0.005509641873278237,0.23975951423670375,84.0662416750125,133.2537565657986,168.13248335002504,10.508280209376565,84.0662416750125,0.08308196957703762,0.005192623098564851,-3.9806841172184315,130.6066304014652,8.162914400091575,7.7955039749190895,26.3,265.6442381632558,5.0,4.110873864173311,4.77912349311153,5.476463551931511,6.159095388491933,6.863803391452954,7.552237287560802,8.260234291607297,8.951699168308815,9.661607055884954,92.8151374925231,3.4339872044851463,0.0,4.51085950651685,0.0,5.726847747587197,0.0,7.009408932708637,0.0,8.328692583545568,8.646289764750648,228.208930136,5.186566593999999,30.651599919729804,1.9157249949831128,5.316248610704584,5.316248610704584,0.0,647.0,14.0,6.0379999999999985,60.0,1.2412558139534882,2.1388598226112867,2.863993201945209,3.6418310758814902,4.9262289345134835,5.914443990039264,7.2275673555518365,8.330681306512474,9.622595004332604,10.759166856936742,87.6865138768837,87.8770135077776,86.55193777620218,122.09725090758637,139.01122114307339,161.35808253914405,190.36472315777405,220.10556748537206,250.53894728617996,282.3575706985946,290.81613131424297,333.14511554986075,353.66800357171695,498.8538641460517,606.86195386166,710.3113682422943,837.599008803049,960.9527619519415,1082.822104453195,1197.9779269977487,9.28215257841861,15.756048662097117,20.72326696175519,26.51294082025108,35.74309998978641,42.49169042822362,51.96893161247114,60.09972098124764,69.6373898835663,78.28094782720929,2.1144442092288362,2.6595487063349377,2.9288511824709254,4.082572408935555,5.100530030022374,6.045255391345282,7.158550299529846,8.195275179141964,9.232037151197366,10.164826166767623,178.90300159122827,333.3512933897891,472.7800939089914,585.0648660950391,806.4716799207176,969.1059954090495,1192.61874049199,1375.5796269950347,1597.2461210052857,1790.5517378761035,2.8626763565891475,4.639376034745702,5.2000768225400344,7.264574275624697,9.401731900738534,10.357527802482702,12.817225016420437,15.1724465821534,18.032550834838105,21.031708096094665,0.45690174418604645,0.5914802331606892,0.6562290329984558,0.9095973875962354,1.1412603799894225,1.344089765881894,1.6024250777642721,1.846199325900276,2.0993469221027317,2.337974433028623,640.0414491546759,742.4927770584937,19.5454149301317,222.44468117132266,-258.05136414668715,-21.39475384736614,417.59676798335323,1000.544141205181,40.94016877749784,0.742088975868813,0.8608750343357401,0.02266171506171816,0.2579110241311869,-0.299194798702618,-0.02480591060551831,552.0268727296608,640.3897220801847,16.85764928870529,191.8554522750546,-222.56572248822135,-18.452678455092094,0.22536612507110498,0.2723048686689739,1.105643872025254,2.7917760598041936,817.85212450597,44.63400582002874,0.9482495958478101,0.05175040415218987,1082.6371437984644,32.90345185232796,10.268199730135937,1353.8741540885183,36.795028931752704,11.06265662525924,1903.166133394668,43.62529235884463,12.392499221475534,3.982903343465303,3.982903343465303,6557.2209011496,6472.465625376441,128.11853671191284,1.0130947432831257,51.18089130142157,50.51935333862279,6.958578065350725,9.364340826787707,18.36611018918026,0.9612816885778038,7.822441553779087,11.881166842330726,5.610746336288087,50.98388096348519,21.218771012737186,1.7533406723895872,10.401757472253102,9.282531426725615,36.16580658985576,1.6528067110559355,4.0773225017332795,30.91849476419353,3.774716304564288,31.32864890463943,3.3596899015267576,7.131593907207382,14.802909675705948,3.005292494535601,19.57079198278995,3.170319595902041,9.182497310829497,7.715602527668401,3.554281690385073,4.95499658802127,3.2169127758956946,11.289902783799395,4.250141422856113,2.3139842595663014,0.03493249369145857,0.8650305178764535,0.6729908346873148,12.03179513113708,0.4634225455399293,11.486594754642951,0.3099362123008127,1.67505564163251,1.5355360972935455,0.5452657542393077,9.935854680599741,0.038373100172120936,2.7284956042405213,2.893586941124216,0.3126109122065802,7.300277298500615,0.07352846663438342,2.9081169865286784,0.7683690932984638,0.36845008954184955,4.249630154418064,0.10613427973981052,3.0049528006416626,0.3757781437627775,0.4901223941690518,1.5532756231029985,0.14805715168904116,2.9518458715420257,0.18425418843221425,0.7132257330964713,0.0019672127661387005,0.06736630188633835,2.1250790149204843,11.75073576326987,1.254901146917463,14.098327570403875,1.7453117326463152,1.528500121951547,2.963293778703708,1.4352090446947785,12.60527328691898,0.18998697359394068,2.4857006943140476,7.078923172972164,0.6525192651794609,10.647540557043525,0.3746973362060675,3.0516489337320882,2.397473411555502,0.6033997313830646,6.555235252660232,0.44799576815224906,3.59541433769415,1.1869475215592598,0.7545222635944093,2.1278708418982664,0.5582795890872517,3.7727186778281787,0.7076621129641616,0.9022524344308791,0.005562727623801145,0.19471689083590246,7.388861828308622,12.031693861935267,5.76329492500257,48.262110964421964,19.457505428804232,1.8314663804183513,10.127533107568656,8.974524852407779,35.09351032614963,1.491027759944944,4.13414738359973,29.02563657332083,3.434386801354373,30.03436513122276,3.027758832933676,7.087147571251611,14.067719397209183,2.73752511253848,18.68967525054119,2.8824026444630384,9.217384803329628,7.47598038601701,3.240849595450965,4.875921861911122,2.9525565014860553,11.443296281763178,3.8930339696044127,2.451777523540884,0.03206969271202053,0.8644599601966458,3.1243937284759142,11.643963455122403,1.7334302261611467,17.22142407001191,3.4396497250647897,1.4833891400295391,3.98815111754656,2.173836614229548,15.013793893715413,0.346895189309814,2.4890231647744625,10.425748454785577,0.9945558176932694,13.322297198572222,0.6911842150089188,3.3755599158897773,3.7489625325773943,0.8547795209189588,8.344577472530533,0.7668808789891927,4.1831624684032445,1.833490136816744,1.0432912757180057,2.5400348783370306,0.904077624760902,4.506166983893392,1.1579550666029172,1.0017555638235927,0.008973379558600897,0.27725297215193223,9.446754075216468,11.976793749575231,7.364879657864227,69.08762573886123,30.94019401139432,1.8668280726358983,12.997410375035349,12.931692498278062,46.297222368125794,2.323270081994259,4.8529792419906395,39.42768993853237,5.186836508391899,39.122709650812084,4.737143296261854,8.772076226918912,20.199809660381515,4.120856418514632,24.280667259024924,4.350263338795205,11.141505426527694,10.669228351626488,4.86452526749201,5.84429616684591,4.282545924568077,14.144699058886573,5.696242767629764,2.9807675666325575,0.0474325232219011,1.1221993652964366,5.067828523236095,11.891929331724974,4.554173544385202,35.6398895399232,10.97904705726144,2.1292822150717607,7.951805311156175,8.005236274594239,29.972454939818192,0.728641512080206,3.9847224137314665,19.88726090314221,1.8539807964775716,23.853491722249917,1.4695179331137882,6.154991391084301,11.021540367634612,1.542140555619746,14.671523159823028,1.48202720638296,8.03750716268058,6.7053016085555806,1.8711024035815462,5.1020352004030505,1.6085191878793392,10.378274080286152,2.0968741187632465,2.3780684806882655,0.01786966377388678,0.6316667546764725,30.24612751070279,0.8255340368670345,0.4889383704545454,0.9583508421659983,0.02615710851540465,0.5387406656335322,0.612968261002467,0.5908971180157214,31.56059991802437,40.161335307889495,83.93033897156448,0.9375262632489975,1.7426060446517206,28.82911016284399,0.4729144264022782,0.09495478774652345,0.9806827359074437,0.01608717754084623,0.48973958114879507,0.19730242194343414,0.022286268830226785,29.39697937699279,16.416069621764745,47.10763428751573,0.9710241038611656,0.709328271922456,29.082327351121492,0.5692352125128508,0.2532349078435774,0.972497050978497,0.019034912811423187,0.49812446999189813,0.2912596698116552,0.15850784961452238,29.90479747147792,24.063495503303947,58.160517051978246,0.9587455764677455,0.9478919894180756,30.276817882569627,0.824430519513287,0.47125315456696604,0.9589616403453037,0.026112296424596844,0.5398541634325346,0.6114296983149788,0.5489239389199847,31.572501556649883,39.617694116588446,82.95320819785708,0.9384424605179555,1.700207800667498,29.29714769558553,0.6272552373844267,0.32860317520442905,0.968404514606878,0.020733649910411444,0.5054683926026119,0.35392143377893703,0.26689911974657754,30.253006108174382,28.21004315235177,64.50172058524232,0.9526067719103171,1.1262889461281265,30.422496499305346,0.8618864438943987,0.5171998610085191,0.9566346645890712,0.027101998325075392,0.5450423238915773,0.6681510415411321,0.6611810978505173,31.801582804208262,42.401015832136274,87.76396033491488,0.9349519968836068,1.8743744632832267,30.315795143235608,0.8331353630743377,0.47407702180851063,0.9586626166495864,0.026345861073888456,0.5412569189943915,0.624268939896653,0.5555222293437593,31.623007528118457,40.024153200498525,83.62100039177575,0.9379939249743796,1.721048088234804 +UMLCN0387,L,ethyl levulinate,CCOC(=O)CCC(=O)C,Esters,Ketones,C7H12O3,NREL (2014),IQT,PubChem,,6,0,0.07729999999999991,0.005975289999999986,36.151,22.727515999999984,0,0,22,10,12,0,7,0,3,0,0,0.0,0.0,0.0,0.0,0.0,1789.9456179999986,1635.2616169999994,2028.9563979999984,1682.5749519999981,1481.8456949999988,1388.6188939999988,672.3644390000001,471.6351819999999,127.11988800000002,3986.7955763095442,4705.341913496157,5703.672717398382,5462.089407191211,4700.919621586812,3818.992094210945,2755.838848230216,1994.6690626258153,1120.9630566850935,173.46032800000003,163.24970000000002,286.97382400000004,329.43020799999994,264.24879600000014,242.86196000000018,198.94998800000013,133.768576,111.43007999999999,26.787266858187984,32.664391720000005,41.383265075641035,39.62529229049002,34.03241303709401,28.955852726489994,22.366687134489986,16.773807881094,10.953247247094001,3662.9261743284887,3084.8156666648006,5943.933537254442,6876.286603458191,5422.207080199494,5173.377863500741,4439.07205500469,2984.9925317459943,2583.794028511344,142.55555555555554,69.0,124.41666666666669,143.11111111111111,126.25,150.5,70.16666666666666,51.5,39.0,81.36116445454539,77.86960080952379,54.83665940540536,41.038413463414585,44.904414999999965,44.7941578709677,25.860170730769234,26.20195455555555,8.474659200000001,181.21798074134293,224.06390064267413,154.15331668644276,133.2216928583222,142.4521097450549,123.1932933616434,105.99380185500831,110.8149479236564,74.7308704456729,7.884560363636365,7.773795238095239,7.756049297297298,8.034883121951218,8.007539272727277,7.8342567741935545,7.6519226153846205,7.431587555555556,7.428672,1.2176030390085446,1.555447224761905,1.118466623665974,0.9664705436704883,1.0312852435483033,0.934059765370645,0.8602571974803841,0.9318782156163334,0.7302164831396001,166.49664428765857,146.89598412689526,160.64685235822816,167.7143074014193,164.30930546059074,166.8831568871207,170.73354057710347,165.83291843033302,172.25293523408962,6.479797979797979,3.2857142857142856,3.362612612612613,3.4905149051490514,3.8257575757575757,4.854838709677419,2.6987179487179485,2.861111111111111,2.6,0.36877559345432803,-0.1914820392625835,0.11285101084637378,-0.0536648135252169,-0.2007982633269989,0.20907588842152355,-0.04894246511009634,-0.002016457762577452,-0.016463103600850366,845.1733952727268,-8.022000396694771,153.89269713223118,-328.6001224628103,-302.13354454545487,128.3085837520662,-107.50530368595015,-81.03872576859479,-154.22965423140465,1029.010284540653,-133.45380414744378,-104.18833626751112,-22.748619720356444,-227.49308402754176,-106.06901613055444,60.69773497102443,-144.04672933616098,-163.34012896190498,2.7231032727272737,-0.03774039669421478,0.7122648595041312,-1.690621553719003,-1.1616738181818154,1.404967933884297,-0.6113376859504143,-0.08238995041322525,-0.23311041322314222,4.591802614085455,-1.020692587095563,-1.2936111443123517,0.7212446873136514,-0.6758560232074535,-0.6531574733918684,0.728274331692824,-0.6688263788282811,-0.45928088310644816,26.180599626471793,-6.31497013222352,-8.162375009053074,4.582138746268621,-3.605669442155181,-3.18983990432491,4.478004287843049,-3.7098039005807526,-2.1132609346539475,64.89898989898987,-1.5399449035812665,12.344123048668497,-35.31680440771352,-24.36616161616161,32.278696051423324,-10.905876951331505,-2.387052341597796,-9.506887052341606,0.01676252697519673,-0.009118192345837309,0.0030500273201722644,-0.001308897890858949,-0.006084795858393906,0.006744383497468502,-0.0018824025042344745,-1.1202543125430288E-4,-0.001097540240056691,38.416972512396676,-0.3820000188902272,4.159262084654896,-8.014637133239276,-9.155561955922876,4.138986572647297,-4.134819372536544,-4.502151431588599,-10.28197694876031,46.77319475184786,-6.35494305464018,-2.8159009802030033,-0.5548443834233279,-6.893729819016417,-3.4215811655017565,2.3345282681163244,-8.002596074231166,-10.889341930793666,0.12377742148760335,-0.001797161747343561,0.019250401608219763,-0.041234672041926906,-0.03520223691460046,0.045321546254332164,-0.02351298792116978,-0.004577219467401403,-0.015540694214876147,0.20871830064024796,-0.04860440890931252,-0.03496246335979329,0.017591333836918327,-0.020480485551741017,-0.021069595915866723,0.02801055121895477,-0.03715702104601562,-0.030618725540429877,1.190027255748718,-0.3007128634392152,-0.2206047299744074,0.11175948161630782,-0.10926271036833882,-0.1028980614298358,0.1722309341478096,-0.2061002166989307,-0.14088406231026315,2.9499540863177214,-0.07333070969434602,0.3336249472613107,-0.8613854733588663,-0.7383685338230791,1.041248259723333,-0.41945680582044254,-0.13261401897765535,-0.6337924701561071,-0.5439628738154676,0.18195510287233818,-0.07808475970214433,-0.36299991447575247,0.40234885273849635,-0.11229825354016364,-0.006683087306589592,-0.0654758224509172,-0.009943522196262619,0.10826626391011823,-0.2086222991843788,-0.2383207566126792,0.10773848905745234,-0.10763001616544067,-0.11719172899779677,-0.2676415208263078,-0.13586720104016664,-0.060203306512257346,-0.011862443571943687,-0.14738633646024504,-0.07315260767742576,0.04991167014573223,-0.17109363849718665,-0.23281159195061105,-0.0145193018706045,0.15552433858179657,-0.33313565225671365,-0.2843995010683436,0.3661535820478474,-0.18996184957306345,-0.03697943786831772,-0.1255535462615255,-0.23287085397024332,-0.1675102913953648,0.08428266128536177,-0.09812501102642499,-0.10094752521094354,0.1342026603945691,-0.17802473923961457,-0.1466988062211424,-0.2526940975398237,-0.18537788013570466,0.09391337977884648,-0.09181530073409541,-0.08646697874587454,0.14472856257350908,-0.17318949268036773,-0.11838725678734517,-0.02485825458588104,0.11309496266694709,-0.2919996203853092,-0.2502983138780805,0.35297100539726384,-0.14219096079018276,-0.04495460440985735,-0.21484824902723765,1.4122846020286375,0.8046469999913781,1.435349924293108,1.5856443798981952,0.5584974292196243,0.8858912974017966,0.5771864313338462,0.643374236966583,0.8970991588718161,0.8280209979437013,1.239955929892858,1.2477130542228578,0.8651517961183135,1.0568309417285597,0.9896634527049828,1.1600109674342434,1.3796381349027589,1.0869104020035762,0.8998325614041033,1.0843743632073004,0.9943179392611304,0.8284941250676291,1.135114790001724,1.0891770467077384,0.6577877592596889,0.7042181330060638,1.6075188186724247,1.4728583725466153,0.6613546338028673,1.1504714946672006,0.7004618661008946,0.9063481450441427,1.643231284800514,1.2302648814150037,0.7977589156132218,1.0558266261834086,1.0060509811228513,0.6955106296061103,1.1231910829816252,0.928910128293533,1.6775569269729798,1.2494253923854992,0.805804483437142,1.0675736035665797,0.992586490705809,0.676090240180113,1.0983495189698476,0.8770555652442521,0.555992217898833,0.5408786412872019,1.5144234601879103,1.5649221789883276,0.7977864942889423,1.0018527387009883,0.9085700389105064,1.2296031128404676,50.27165772603142,25.510828863015703,40.171307572143405,50.871657726031415,5.087165772603142,25.510828863054368,0.7499999999999893,0.04168010497097624,0.004168010497097624,-3.177731363042686,63.735087218081844,6.373508721808184,4.15473523068271,50.287474693821316,25.517635715558683,40.181026214179276,50.885712083658156,5.088571208365815,25.517635715597066,0.7477967372960492,0.041438872203068466,0.004143887220306846,-3.183535896578168,63.59608929597026,6.359608929597026,4.152551979398475,64.39447931218051,31.59874793900321,49.306966718319494,63.43689256484123,6.343689256484124,31.598747939003278,-1.1969834341740864,0.14470905964860864,0.014470905964860864,-1.933030037431715,54.02310741465686,5.402310741465686,3.9894118701209624,50.304075192556326,25.524779796606573,40.191227636439436,50.90046271308179,5.090046271308179,25.524779796644665,0.7454844006568244,0.041185758233700354,0.0041185758233700355,-3.189662756324976,63.452004873010466,6.345200487301047,4.15028379134458,79.47282706035755,38.112972133670034,59.827189016676975,76.87532082594356,7.687532082594357,38.112972133670034,-3.246882793017477,0.2776982468457292,0.027769824684572918,-1.2812201978123603,136.30143974399058,13.630143974399058,4.91486890169872,51.92954939331349,26.224475975474178,41.19674617980025,52.34507143942139,5.234507143942138,26.224475975492297,0.5194025576348658,0.016749948036709983,0.0016749948036709982,-4.089360123001845,54.772084478164864,5.477208447816486,4.003180656829216,49.48800551605049,25.128861478437127,40.891149010841666,50.261610958227365,5.026161095822735,25.128861478512263,1.934013605442157,0.139883624610469,0.0139883624610469,-1.9669444548373707,44.828546914305086,4.482854691430509,3.8028451443987774,0,11.889999999999999,15.996919924157389,-0.3161861738548533,0.26157401537244795,4.06651965036467,7.018470085677151,9.0,21.0,19.0,19.0,7.0,2.0,2.0,0.0,0.0,2.0,16.950484,3.594958971659772,3.3368160544784358,2.9836526930933864,2.4451297428833594,2.0404605625042245,1.8941873385089296,1.4347526239605723,0.9728516015718358,1.7950965109260368,1.6468166976184873,1.4320626125571652,0.9810473513455654,0.8270589992897306,0.40127241266180375,0.20375273134523564,0.08392307051869083,3.5105051650006116,3.2103751048331572,2.960039123539233,2.398401432125647,1.9338521507143416,1.7915148308734787,1.4081246878244749,0.6044134180308453,1.79925814830515,1.6151731429293896,1.3951221684759791,0.9887077572728197,0.7287714340353243,0.48293223729665957,0.308294201911223,0.27091390189293674,3.674274564717084,3.4318017778478462,3.165754987820194,2.692456482603605,2.3169295551376474,2.1939520508855987,1.868557157758134,1.2268935122114166,1.6056637257466586,1.3532879929072088,1.1314879822089843,0.6307777183569763,0.2877939623712647,0.04597849879703127,0.19595027210579244,0.9439184268026208,3.498581375622971,3.193233566286525,2.9655244955280256,2.399680750267872,1.9495493752169233,1.774418762653239,1.4273546909957329,0.4595935758184983,1.8055082319028766,1.6066993242584802,1.3746159271467693,0.974491706003896,0.6723397277612007,0.5047784597767271,0.29239842512068187,0.3992772455089815,3.6917158567738966,3.4594695631060097,3.2225307808027974,2.768521368546184,2.4199932557989756,2.2562560655020523,1.9987204550120325,1.208936353349502,1.5791226249477965,1.3079474716422448,1.076246672738492,0.5608517609314839,0.16256861740598813,0.014217676229884188,0.31275810694074213,1.2076448229620869,4.875863327013023,4.842633954549198,3.39025801580081,3.0348587053898113,2.7725815365432402,2.527568063722706,1.8837854186568637,1.5448075421659238,1.6212629180346678,1.3913424578128268,1.1188598749415966,0.614727006756726,0.46827507698310344,0.18407737197822316,0.4678925536387107,0.5915492957746474,0,0,1,1,0,3,2,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696923425058676,0.0,0.0,0.0,0.20326313239628543,0.0,0.0,0.0,0.696923425058676,0.6329795093937626,0.7478909578906803,0.1853954059492991,0.14299381885742238,0.11519934654215637,7.983127663125442,4.663902460147015,3.86504396942433,2.0182906301045946,1.2549879773219088,0.796706494359589,0.25,0.16666666666666666,0.7983127663125442,0.5182113844607794,0.386504396942433,0.25228632876307433,0.17928399676027268,0.13278441572659816,0.08333333333333333,0.08333333333333333,6.346065214951231,3.3152611326637027,2.007036272942978,0.9865114228601485,0.5112495302874966,0.25198191475568726,0.08690017492342297,0.05081578309907136,0.6346065214951231,0.36836234807374474,0.20070362729429778,0.12331392785751856,0.07303564718392809,0.041996985792614544,0.028966724974474323,0.02540789154953568,12.395364135965808,22.31900946831755,21.400000000000006,21.759999999999998,13.232045508982033,169.3757880239521,0.5634256425439004,1.0145004303780705,0.972727272727273,0.989090909090909,0.6014566140446379,7.698899455634187,0.9186999999999999,36.547999999999995,29.687690105843345,45.594755350324284,59.37538021168668,5.937538021168667,29.68769010584381,0.006853265358431615,6.853265358431615E-4,-4.983030045629259,50.63738999923129,5.063738999923129,3.924690236208134,96,0.0,0.0,3.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,25.518842120181404,-0.272450869236583,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.177921272675737,1.6620833333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.199298469387755,0.0,0.8876436130007557,0.0,0.0,0.0,0.0,0.0,0.0,-0.272450869236583,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.917731009070295,4.601111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.601111111111111,-0.2937962962962961,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.40136940192743764,0.4738888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.457565192743764,0.0,0.21148148148148138,0.0,0.0,0.0,0.0,0.0,0.0,-0.2937962962962961,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.34467545351474,4.601111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.573055555555555,0.021345427059713096,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6184027777777779,0.6184027777777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7417332766439908,0.0,0.3856528722600152,0.0,0.0,0.0,0.0,0.0,0.0,0.021345427059713096,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.573055555555555,4.601111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,29.333333333333332,2.933333333333333,0.6184027777777779,10.573055555555555,0.2547222222222222,-0.2937962962962961,1.8483567328042327,1.9604629629629629,3.5730555555555554,16.03768424036281,1.9604629629629629,3.5730555555555554,16.03768424036281,4.49999,0.45,0.0,0.05,0.58636,0.93,0.425,0.58636,0.93,0.16136,0.0,-0.16136,0.0,0.48387,0.23042,0.0,0.37037,0.22222,0.0,8.5,0.85,5.5,0.55,3.0,0.3,-2.5,-0.25,0.0,0.0,6.9161,0.69161,11.98413,5.06802,0.5068,2.84208,0.28421,4.66389,1.82181,0.18218,0.25011,0.02501,0.25011,0.02501,0.0,9.03,3,3,3,3,0,0,0.7142857142857143,1.3946169838545441,2.3221793455166666,3.5726236638951634,3.7544418457133455,3.754441845713345,3.6635327548042547,30.681573644799972,51.08794560136666,78.5977206056936,82.5977206056936,82.5977206056936,80.59772060569361,0.31273424577832365,0.5207343769577237,0.8011387928820574,0.841910397285253,0.8419103972852529,0.8215245950836552,3.064814634782753,2.1372522731206307,0.8868079547421339,0.7049897729239518,0.7049897729239523,0.7958988638330426,0.30830062623264465,0.513351948768445,0.78978108371246,0.8299746708865517,0.8299746708865516,0.8098778772995059,13.058220421379207,24.689220595817776,28.31120100427453,28.494441919183622,28.494441919183622,27.40353282827453,37.20890355746892,22.23227841508319,18.147798332968097,17.6170959261909,17.617095926190895,18.95860408181124,10.0,5.76,7.0,10,3,5,1.9,1.1850000000000005,0.14285714285714285,2.0041451295984074,1.3731780959380786,0.0,1.3103706971044482,3.244451241360597,0.0,0.33333333333333337,0.0,0.0,0.19999999999999996,0.6324555320336759,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.758,0.7450000000000001,1.029,0.219,4.476999999999999,10.0,8.0,7.0,6.0,3.0,2.0,0.0,0.0,0.0,55.0,2.4849066497880004,2.70805020110221,2.4849066497880004,2.3978952727983707,2.4849066497880004,1.6094379124341003,1.3862943611198906,0.0,0.0,0.0,4.31748811353631,1.3454545454545455,0.42857142857142855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.5555555555555556,7.0,0.7777777777777778,0,4.0,7.0,0.75,2.5,0.8888888888888893,0.375,0.32000000000000006,0.11111111111111113,0.08163265306122448,0.0,0.0,0.0,0.0,0.2777777777777778,0.08888888888888893,0.046875,0.04571428571428572,0.01851851851851852,0.027210884353741496,0.0,0.0,0.0,0.0,0.5049853552532124,29.687690105843345,45.594755350324284,59.37538021168668,5.937538021168667,29.68769010584381,0.006853265358431615,6.853265358431615E-4,-4.983030045629259,50.63738999923129,5.063738999923129,3.924690236208134,43.370000000000005,150.72611378195006,4.321928094887363,3.6635616461296463,4.31748811353631,5.056245805348308,5.739792912179234,6.478509642208569,7.175489713624222,7.9102237070973445,8.614501373883236,9.345308232386667,77.30112114639354,2.9444389791664403,0.0,4.07753744390572,0.0,5.351858133476067,0.0,6.688354713946762,0.0,8.058010800802085,8.356319965828153,144.078644244,6.549029283818182,18.487534507511732,1.8487534507511731,7.668801324408456,7.668801324408456,0.0,143.0,8.0,0.299,38.0,1.2421428571428572,2.132730274693171,2.906138866772636,3.728623802565485,4.876915098264058,5.7963559326383685,7.104004137498326,8.09743581700304,9.206725816588351,0.0,106.90533252119043,128.52966777100966,129.52771256540228,192.74738939142347,238.94740545259143,170.27821952363183,197.85342814524353,69.7970938981836,9.354622660106026,0.0,300.0280503759645,351.4764607290854,413.8435814023595,587.8178063869351,645.3017154832307,673.4591412286637,827.7883301462996,622.8226916051358,286.17951232848,0.0,9.70962507447619,16.685874363221636,23.390570317672093,29.67557721158391,38.358077365307736,44.718959135100185,52.73637179272281,59.885758817352276,61.85505595661943,0.0,2.0427845021123807,2.4978113426059267,2.963790219338935,4.19622880584309,4.798654490303067,5.334636029768371,6.90588687118996,6.0988332318262986,4.093429109461628,0.0,180.75983843956203,339.3373713575494,484.082220130988,600.943540656499,806.4649431800534,979.1911291316221,1168.2309127215522,1385.330379688883,1702.486120834554,0.0,4.156948412698413,7.572856261798236,10.221985792991637,13.886842027042348,24.082812611725252,16.19440372442726,20.250384007991237,20.50898737722923,9.206725816588351,0.0,0.473339642857143,0.6187986917655579,0.7592713694491339,1.0545770685293683,1.2234490644754852,1.3122921877885252,1.6247063223390867,1.4671895308555452,0.9427687236186473,0.0,408.2793850401975,379.06959746821036,16.915655697536845,174.23180408900177,-161.76662908335518,-30.408081565624,234.04758095119573,540.8362265515656,47.323737263160844,0.7008953521571623,0.6507507573114338,0.029039194462211437,0.29910464784283763,-0.2777056168228827,-0.05220171240157856,237.8273100767037,220.81228198393413,9.853558715272303,101.49197538401012,-94.23087146876735,-17.71304775192932,0.2816754962250417,0.3404504966926457,1.9133959331722794,7.145689345512218,481.08301316864555,101.42817596055369,0.8258777207143787,0.17412227928562107,781.9539123296852,27.96343885021449,9.212844033793251,898.1983453111366,29.9699573792012,9.648447029434912,1361.1495860756147,36.893760801463635,11.082437356888043,2.1985424858049853,2.1985424858049853,1136.694266176123,1033.081510194638,120.34215223616343,1.1002948508506012,9.445520501789236,8.584535767378371,4.766351834603018,5.328778950531526,9.772450337996569,0.8339004917856092,3.373247734901248,5.328617125725412,3.3837586454101416,13.612133145630137,4.510766701105113,1.7715553020758499,5.723953333200184,9.98793799448129,5.2182549116051,1.0384618107887345,4.593331369569323,3.2930803648499603,1.7934624818771816,0.21974700227695448,1.8269088968062035,2.255913043314969,3.2956306656527543,0.7399390610997948,0.01128006743052763,2.0539263444421767E-23,7.213440700147772E-66,4.886253238821739E-130,6.383889800127102E-216,2.0E-323,0.0,0.0,0.0,0.0,0.0,0.0,0.3160945926239838,5.479648054573578,0.3082875115941113,6.155464580884195,0.26168158968603766,1.6771774216406046,1.8530602808081116,0.6399949920783359,2.616371745234187,0.048739758209452,2.4472077238515424,0.32036028261218796,0.9163834273666445,0.020711843025493764,0.047678077026100434,1.0066447279284956,0.19372038339413986,0.005211481759757122,7.944643723113682E-5,1.4465971183779619E-25,5.0804852660177E-68,3.441428108691122E-132,4.496225784286548E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9255965161406825,5.198443233592031,0.7104102097586198,5.551329126606103,0.580819173869406,1.5341608530649056,1.7745673881561133,1.55410949879003,1.8963655766347272,0.13710002391052148,2.494421559578727,0.6722188618441882,0.77880427033141,0.06127389107886918,0.22077894610754786,1.210568968238046,0.6799512092913604,0.054307418921028694,8.278931294735182E-4,1.5074657305739157E-24,5.294257354663388E-67,3.586233424758014E-131,4.685413928056706E-217,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1942966388677263,5.479246431342886,3.6811979133994646,14.637454914616926,4.639419070634176,1.8493372758877942,6.078378150845499,9.822892064937028,5.805214836024172,0.9459825103111361,5.192837827807053,3.7935703431024983,1.809363574070154,0.20776263415536073,1.6571084448850777,2.1613640079037086,3.0537531369187936,0.6592724028830004,0.010050336999427147,1.8300113949478214E-23,6.427045796345715E-66,4.353563665922499E-130,5.6879308792821516E-216,2.0E-323,0.0,0.0,0.0,0.0,0.0,0.0,1.3490017951302975,5.09159501459413,0.9131317017516564,5.594820419376841,0.8203665041784216,1.4912639668030505,1.914573022620775,2.288694889249839,1.9211168547117317,0.23193423131711088,2.47083708374801,0.7935612808251101,0.7876880863537069,0.08908119525081176,0.39443131157595135,1.3657226984819628,1.0573615284728863,0.11796289588057024,0.0017982945057834574,3.2744170043684748E-24,1.1499834428085286E-66,7.789778214853053E-131,1.0177345147801688E-216,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0737312041785385,5.424131098620222,4.603886733264009,17.510247095689163,6.534406010951696,1.8883976265118803,7.483394969712015,13.981317641695975,6.977154336677684,1.446524575056075,5.725961523822765,4.602129712888524,2.2983923670235513,0.2650309608415883,2.557163284216112,2.626502379373874,4.250214583391378,1.0791314806542127,0.01645091822894538,2.9954585421405105E-23,1.0520125330662743E-65,7.126141131056694E-130,9.31030330548095E-216,3.0E-323,0.0,0.0,0.0,0.0,0.0,0.0,2.1574362823576525,5.487848517272356,2.934153384771544,19.27866308298689,4.2176725786750255,1.8812724413198914,8.224580899943772,8.575982182006562,17.69747254571068,0.4915882895814798,7.6674107160290275,5.9544795323508914,2.631508116828358,0.15540167031941188,0.7534372324928027,2.09414125970229,1.9293386331011206,0.25892743552392417,0.003947240418062039,7.187316150755801E-24,2.524203411041593E-66,1.709849377758688E-130,2.2339181923079163E-216,1.0E-323,0.0,0.0,0.0,0.0,0.0,0.0,9.82881976216577,0.8292324012817521,0.37726146818181827,0.8906697254162741,0.07514352821880947,0.5790164252888825,0.4592027060042053,0.45452857890207093,11.03531363162934,12.171248220286877,26.281384597417357,0.8360045881244111,1.4927477101951587,7.126365998619453,0.7795658424589229,0.05802975874592492,0.894826765460129,0.09788669027185183,0.31352667810416796,0.34646586240924687,0.010754192944547577,7.963961599824301,6.014250830783902,14.300595102249758,0.8422401481901934,0.6707467334579624,8.488859849876489,0.6811989557176914,0.18139993756324466,0.9077578250653022,0.07284413848439773,0.43412701099340134,0.3100289024647634,0.10508737902450023,9.351458743157425,7.4460505597557685,17.84647302901176,0.8616367375979535,0.8492432924826651,9.492221612909958,0.8766447631431893,0.35101419464821837,0.8854782989703507,0.08177747479194475,0.5408160265687496,0.5159193631871561,0.39348270877927977,10.719880570701367,11.960925647957398,25.601702871686165,0.8282174484555261,1.4502180985351856,9.170724705120183,0.6461881763939297,0.25044519643628277,0.9109365768171069,0.06418646991500342,0.5045722861031426,0.2800640837050474,0.2003095736480098,10.067358077950395,8.384612548421046,19.93611233498234,0.8664048652256605,0.9849459434561998,9.92776867427169,0.8665356631361294,0.3990125141841492,0.8869371613347757,0.07741545018560665,0.5906917134840857,0.5012021499915663,0.50845125922736,11.193316851591968,12.90982812416007,27.535756111382316,0.8304057420021635,1.600345122703012,9.552710431965158,0.8941574319948158,0.3530833851381215,0.8845142178547246,0.08279272853842622,0.547899040545531,0.5369200871694643,0.3981354577229699,10.799951249098095,12.230242497933698,26.04610033281927,0.8267713267820869,1.482954585437965 +UMLCN0388,L,ethyl linoleate,CCCCCC=CCC=CCCCCCCCC(=O)OCC,Esters,Olefins,C20H36O2,BioCompoundML (2016),Unknown,PubChem,,44.4,0,-0.4471000000000044,0.1998984100000039,84.42909999999999,60.80854799999995,0,0,58,22,36,0,20,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3433.7967259999973,3609.1013130000033,4111.362857000011,3890.9066959999996,3731.4459670000006,3387.946737,3147.8893519999997,2961.2075829999994,2778.5900699999997,10022.134388428824,12662.010927054074,16422.12846608225,17024.91556045786,16292.20045571338,15449.578194203588,14352.157679526712,13397.928462080241,12568.034222357493,419.3784559999997,422.06569200000024,773.763740000001,1019.9645360000029,936.1673800000026,920.5473480000026,862.8412640000023,793.637068000002,751.3067280000017,73.07047257456391,94.30581515999992,132.85654100413092,144.43227005324215,137.33140442390297,131.9554566947518,123.55268840160068,114.75547804250672,107.73671930280875,9563.825166277966,8254.740112529402,16484.63232005612,23365.033012689724,21172.082755349755,20955.801904139356,19845.882179133565,18150.21426775939,17194.216964482206,153.27777777777777,130.5,223.33333333333331,256.75,250.5833333333333,240.83333333333331,212.83333333333331,198.08333333333334,188.66666666666669,59.20339182758616,63.3175668947369,38.78644204716991,27.400751380281687,28.70343051538462,26.4683338828125,26.01561447933884,26.677545792792788,26.46276257142857,172.79542049015214,222.14054257989605,154.92574024605895,119.89377155252014,125.32461889010293,120.69982964221553,118.61287338451828,120.70205821693911,119.69556402245232,7.230663034482753,7.404661263157899,7.2996579245283115,7.182848845070443,7.201287538461559,7.19177615625002,7.130919537190102,7.149883495495514,7.155302171428588,1.2598357340442052,1.6544879852631567,1.2533635943785935,1.0171286623467757,1.0563954186454074,1.0309020054277485,1.0210965983603362,1.0338331355180785,1.0260639933600832,164.8935373496201,144.82000197420004,155.51539924581246,164.5424860048572,162.86217504115197,163.71720237608872,164.01555519945094,163.5154438536882,163.75444728078293,2.64272030651341,2.289473684210526,2.1069182389937104,1.8080985915492958,1.9275641025641022,1.8815104166666665,1.758953168044077,1.7845345345345347,1.796825396825397,0.34592087488991713,-0.1630956446037574,0.020345838651620443,-0.024004325560417566,0.0051455430315754756,-0.014771573819412818,0.002943511675900197,2.377099073271635E-5,-0.01835595559175315,1792.832035724141,-18.09452000475183,-495.56090932342204,86.94151039952288,-145.0863594161715,-231.09551352913184,-3.768876355530182,-73.51458247205767,-68.91902608680198,2922.0325411916465,-146.39082659126882,-1153.6407533133374,273.5848359710135,-180.57868430042103,-191.2423585733931,17.296390111133753,-97.32638780714458,-91.43811414738664,2.2630835862068897,0.05423109631390374,0.8124261355529069,-0.21474119381688336,-0.22595769322235512,-0.3602349488703914,-0.07153768846610715,-0.10667031153388544,-0.10960125089179326,13.035839176834624,-0.9923679898918589,-5.29189453234038,1.434682261794625,-0.6476275346537568,-0.2769266041844626,0.10875712674581611,-0.36824042163842063,-0.35356842617139195,71.69938305971739,-5.9621492012329655,-28.539090043602826,8.05537581851455,-3.3312820360669377,-0.6324619617739942,0.6118940799111361,-1.9268042401709626,-1.869665347966034,43.85057471264374,0.41409036860879966,10.336305984938564,-2.790295943982022,-3.4390276126304613,-9.407781741313244,-3.226582111243223,-3.877824019024965,-3.324316290130792,0.005964153015343399,-0.0028613270983115333,1.9194187407189098E-4,-1.690445462001237E-4,3.9581100242888276E-5,-1.1540292046416264E-4,2.4326542776034686E-5,2.1415306966411127E-7,-1.7481862468336334E-4,30.910897167657602,-0.31744771938161104,-4.675102918145491,0.6122641577431189,-1.1160489185859346,-1.8054336994463425,-0.031147738475456047,-0.6622935357843033,-0.6563716770171617,50.37987139985597,-2.568260115636295,-10.883403333144694,1.926653774443757,-1.389066802310931,-1.4940809263546335,0.1429453728192872,-0.8768143045688701,-0.8708391823560633,0.039018682520808444,9.514227423491885E-4,0.007664397505216102,-0.001512261928287911,-0.001738136101710424,-0.002814335538049933,-5.912205658355963E-4,-9.609937976025715E-4,-0.0010438214370646977,0.22475584787645905,-0.017409964734944893,-0.049923533323965846,0.010103396209821303,-0.004981750266567359,-0.002163489095191114,8.988192293042654E-4,-0.0033174812760218076,-0.003367318344489447,1.2361962596502998,-0.1045991087935608,-0.26923669852455495,0.05672799872193345,-0.025625246431284138,-0.004941109076359329,0.005056975867034182,-0.01735859675829696,-0.01780633664729556,0.7560443915973059,0.00726474330892631,0.09751232061262796,-0.01964997143649311,-0.026454058558695856,-0.07349829485400972,-0.02666596786151424,-0.03493535152274743,-0.03166015514410278,-0.47975413959877855,0.032182587129823914,-0.02834342877609598,0.006636499791514707,-0.019349423156528132,0.004078792531555134,3.590670278129693E-5,-0.02931155928320826,-0.010269767249388023,-0.15124449131282738,0.019807388780152826,-0.036105355096379035,-0.05840767706138879,-0.001007662065145306,-0.021425891723300353,-0.02123431337036475,-0.050977901377565596,-0.21602681846416558,0.03824253061609175,-0.027571860818900423,-0.02965630687097992,0.002837350887316792,-0.017404059998679885,-0.017285458619859695,0.024383774153363586,0.19642891584380692,-0.03875738058253069,-0.04454625295929676,-0.07212789761799526,-0.015152243172749406,-0.02462906832105566,-0.0267518370592865,-0.07746167630091913,-0.22212340099558692,0.04495276232089325,-0.02216516417097038,-0.009625952408501127,0.003999091626742976,-0.014760378016261087,-0.014982116711554274,-0.08461367519680914,-0.21779446137518466,0.045889152534712326,-0.020729108530495886,-0.003997026392683869,0.0040907548680536535,-0.01404194246891463,-0.014404134059047136,0.009608884596813133,0.12897697767007077,-0.02599049957235756,-0.034990086366233054,-0.09721425840978572,-0.035270373218663345,-0.04620806914384883,-0.04187605317356288,1.5464118886507416,1.0218944851031602,1.0824619522228618,1.0161886613934803,0.931782885972947,0.8189830213025866,0.8687242087626105,0.9198717417727422,1.2288069010938731,1.2365479754013882,0.9539757126589579,1.029358777533214,1.0413061437589115,0.9493525561530389,0.9828651541905307,0.9840419517693342,1.4044903319507236,1.3506179498416848,0.9286237532066844,1.0249726782934967,1.0104125119095269,0.9760990871436915,1.0046906227353412,0.9993650352653243,0.735096136147715,0.7421697207493245,1.039411895493707,1.0283978694584426,1.0696483435825244,0.7695043633512848,0.8307570281775349,0.8696955456181644,1.476373930838511,1.3758714008003328,0.9199994699222921,1.0215406399641707,0.9905656474606103,0.9741421346292266,1.0024344248122257,0.996849943030264,1.4887562686129003,1.3745761651887487,0.9189748057406207,1.020517914704442,0.985247700639711,0.9704050415399706,0.9990975865508771,0.9941014684567453,0.6138269986893831,0.560687702465441,0.8978554815129295,1.2186271297509812,1.3032540137614659,0.7998849149182747,0.8602360879883802,0.8913387006178606,297.2808374125399,148.89041870626994,237.47921349289578,297.7353828670854,13.533426493958425,148.89041870626994,0.4999999999999716,0.03741043573627606,0.0017004743516489118,-7.228772282823686,192.52947277547108,8.751339671612321,11.572548344138182,297.29862800503514,148.8985795816161,237.4889932760471,297.75183814885065,13.534174461311393,148.8985795816161,0.4985311581970677,0.037307245697488944,0.0016957838953404066,-7.234848976460569,192.54675359484173,8.752125163401898,11.572745800122412,313.3097849945657,156.25589801922467,246.42621844515025,312.5843404890054,14.20837911313661,156.25589801922467,-0.7979889561163134,0.05549697574602147,0.0025225898066373394,-6.361138851709657,235.42175975676673,10.700989079853032,12.015032981431808,297.3173002432204,148.90714492182911,237.49925806686028,297.7691089708912,13.53495949867687,148.90714492182911,0.49698960043781426,0.03719894264679702,0.0016908610293998644,-7.241244871476417,192.5649268424967,8.752951220113486,11.572953434151199,330.76314483659985,164.29927815396076,256.4926171607673,328.79533708325596,14.945242594693454,164.29927815396076,-2.1645885286783653,0.15721030413982612,0.007145922915446642,-4.070375876978256,239.16963480988446,10.87134703681293,12.049780752335868,299.14738913871616,149.74682875523627,238.50707801440154,299.4621785675855,13.611917207617523,149.74682875523627,0.3462683717563664,0.02658741323317626,0.0012085187833261936,-7.980098196191763,194.5343558036518,8.84247071834781,11.595339324762026,314.57038407776173,157.42817326016643,252.96204455013986,315.33144188232563,14.333247358287533,157.42817326016643,0.9470634920633643,0.011942884313335456,5.428583778788843E-4,-9.74076319240053,202.0811437801936,9.185506535463345,11.679072500970053,0,11.889999999999997,15.995924706363354,-0.3159769588191101,0.2615186010190767,4.194035473604838,7.959142314207838,21.0,57.0,54.0,54.0,18.0,3.0,3.0,0.0,0.0,3.0,42.22945199999999,3.6042322148199064,3.5608834195694885,3.4557097786626647,3.3315586637334396,3.189615078537064,3.040068272922093,2.877821915488532,2.7129236895309288,1.9389014013763923,1.8976297705994196,1.80815854490101,1.7058330853863233,1.6446654164765835,1.5509786324090928,1.4091911933252719,1.248804522495774,3.6216744419713267,3.5361709453542383,3.4462813894594895,3.3184372822888135,3.191490909369328,3.059644794093562,2.8844786632980757,2.723921458506749,1.8882434753805908,1.8441664203995385,1.7638681183582707,1.670726297767505,1.588116753262282,1.4819598062200152,1.34267618747078,1.1855061616887042,3.7205559686222176,3.6683465436323073,3.586645218581587,3.4776586868955204,3.3549220777270348,3.2313451456628184,3.0766723881303397,2.920155303068751,1.7374460031541317,1.6705454825321318,1.5801440470772106,1.460207711308836,1.3523288242097862,1.253049188447587,1.0858476045153802,0.921310710387176,3.6372043910516427,3.5502454452611176,3.457311506647092,3.325992778341283,3.2002264009336403,3.082915936376548,2.905489562348435,2.742202607001159,1.8577680941844534,1.8149250572047475,1.7423313749324585,1.6489118165037095,1.5491825330903854,1.4383555767573677,1.301661035766483,1.1478493961305969,3.7678216520644074,3.712942124000118,3.6315122861887494,3.5264452391036953,3.4181212213812335,3.3043993813960033,3.150847432422828,2.9933407867439317,1.6931799084046926,1.6208279621612727,1.5318083511755012,1.411525118607056,1.2952876018294373,1.182179176378414,1.0126917083020988,0.8512728199778241,4.932553451581734,3.729605520335236,3.5424329362997002,3.439972780589375,3.4050195491705084,3.3256534157385844,3.094572673590306,2.9092854882351697,1.82873692986903,1.7745137744536672,1.653387550139208,1.5243395161990163,1.3905102415769575,1.3395193111464228,1.1970156622080732,0.9766781718441968,0,0,1,4,0,3,12,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.49279927982674443,0.348461712529338,0.08333333333333333,0.10059223176554563,0.07112944921610614,16.30527233054749,10.808060412490448,7.632269453018,5.081951230073507,3.501256470510539,2.1466380477393474,1.429513972661226,0.9483190238696735,0.7411487422976131,0.5146695434519261,0.36344140252466667,0.25409756150367535,0.18427665634265997,0.12627282633760867,0.08934462329132663,0.06322126825797823,14.818285813111352,9.264350206547164,5.785756475140488,3.6368599202405316,2.3139212397984235,1.3905770880667412,0.8565275467707252,0.5292675477057686,0.673558446050516,0.441159533645103,0.27551221310192797,0.18184299601202658,0.12178532841044334,0.08179865223922007,0.053532971673170324,0.03528450318038457,31.182498676979392,56.64238892935187,53.75686274509796,54.480000000000054,35.33445988023957,444.30302275449105,0.5376292875341274,0.9765929125750322,0.9268424611223787,0.9393103448275871,0.609214825521372,7.660396944042949,6.215380000000008,95.45100000000006,162.48749403768932,258.4183639143959,324.97498807537875,14.771590367062668,162.48749403768932,0.06362161332150401,0.0028918915146138187,-6.060564475386939,210.11350600603495,9.550613909365225,11.764825356873624,635,0.0,0.0,2.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,14.0,4.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,13.0,0.0,4.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.04750391618896,9.115873260874126,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.157080038921882,0.0,0.0,4.674834115216103,1.5789455502510157,0.0,1.157080038921882,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.097747410660686,0.0,14.405542078942894,0.0,9.163852733707115,0.0,0.0,0.0,0.0,-0.04797947283298787,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.140093190497826,4.907410725691133,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.907410725691133,-0.04797947283298787,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.28087451599001245,0.0,0.0,0.22463719693273843,0.31849773242630386,0.0,0.28087451599001245,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8548365837415215,0.0,0.4991037852239151,0.0,2.274875883395905,0.0,0.0,0.0,0.0,-0.04797947283298787,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.140093190497826,4.907410725691133,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.140093190497826,2.3090752182698777,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2972663210599233,0.0,0.0,0.5620916259065609,0.5232948965666768,0.0,0.2972663210599233,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2429108269191644,0.0,1.3471902225004526,0.0,2.3090752182698777,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.140093190497826,4.907410725691133,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,43.66666666666667,1.984848484848485,0.5620916259065609,11.140093190497826,0.14282433860103283,-0.04797947283298787,11.286342034563337,1.7146461394996546,4.140093190497825,13.908534953630474,1.7146461394996546,4.140093190497825,13.908534953630474,10.66666,0.48485,0.0,0.01515,0.47816,0.7697,0.42941,0.46667,0.7697,0.04875,0.01149,-0.03726,0.0,0.62992,0.08437,0.0,0.125,0.04688,0.0,14.75,0.67045,11.25,0.51136,3.5,0.15909,-7.75,-0.35227,0.0,0.0,24.82668,1.12849,31.96926,7.14258,0.32466,8.64284,0.39286,10.80805,2.16522,0.09842,0.10595,0.00482,0.10595,0.00482,0.0,21.02,2,2,2,2,0,0,0.75,1.1242592373746325,2.2932415554350984,3.6894562104583084,4.461092201874919,4.782730512772395,5.004364184708142,65.20703576772868,133.00801021523571,213.9884602065819,258.7433477087453,277.3983697407989,290.25312271307223,0.1919192360490321,0.3914730275401239,0.6298170331257555,0.7615409141111029,0.8164469152000449,0.8542813964180777,4.73372175775294,3.5647394396924734,2.1685247846692635,1.3968887932526526,1.0752504823551767,0.8536168104194299,0.19033012702325378,0.3882315946633598,0.6246020898374581,0.7552352849046368,0.809686659226111,0.8472078674402128,9.465905525546166,20.197853637470104,25.395398878227052,27.4532609686057,28.914537657992177,29.13790562050309,81.61556759028763,50.94201739671129,36.25066747982345,28.110914985823257,24.190856891858814,22.876375374654014,22.0,19.047619047619047,19.0,22,3,18,3.44,2.914999999999998,0.04999999999999999,4.192466550569759,0.28005601680560194,0.0,28.42338870952683,2.6864293036505376,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.468,0.454,0.758,0.352,10.224,21.0,20.0,19.0,17.0,16.0,15.0,14.0,13.0,12.0,190.0,3.2188758248682006,3.332204510175204,3.367295829986474,3.4339872044851463,3.4339872044851463,3.4965075614664802,3.5263605246161616,3.5553480614894135,3.58351893845611,3.6109179126442243,5.805134968916488,1.7421052631578948,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.0,0.7619047619047619,18.0,0.8571428571428571,2,10.0,20.0,1.0,1.5,0.666666666666667,0.375,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.07142857142857142,0.03174603174603176,0.01875,0.008421052631578949,0.006535947712418302,0.00510204081632653,0.004166666666666667,0.0035273368606701934,0.0030769230769230774,0.0027548209366391185,0.17578442951060105,162.48749403768932,258.4183639143959,324.97498807537875,14.771590367062668,162.48749403768932,0.06362161332150401,0.0028918915146138187,-6.060564475386939,210.11350600603495,9.550613909365225,11.764825356873624,26.3,364.1472285168575,5.459431618637297,4.442651256490317,5.117993812416755,5.814130531825066,6.499787040655854,7.201170883281678,7.890956716138919,8.594709633844065,9.286653054825347,9.991818891326092,107.83987182080409,3.7612001156935624,0.0,4.844187086458591,0.0,6.056784013228625,0.0,7.3310603052186325,0.0,8.63994165667529,8.961237781491876,308.271530392001,5.315026386068983,42.65157338339059,1.9387078810632088,5.316475192162178,5.316475192162178,0.0,1720.0,20.0,8.609000000000002,84.0,1.2351262778320353,2.146117271354368,2.9043396251562137,3.7109011078550838,5.020738134595856,6.037202722589698,7.377717297010845,8.488964113274015,9.778337342090786,10.931949597822227,90.13577450989034,92.89727318959453,94.94324585776947,133.49986710035486,155.79034635227524,185.31990045448964,222.79278799540742,253.3888751162923,282.05838363118824,314.97120084014045,300.91727066118983,356.5878448506247,386.0448521901494,544.5632097952728,668.1867983679869,799.3613175572038,962.5103316444225,1099.5314534772372,1225.692265883573,1374.4955825364127,9.19723994259566,15.743397562287976,20.933012679793812,26.903689087039744,36.24125334431452,43.281637186723025,52.93808152033039,60.97158016131566,70.19087327236635,78.0548093449768,2.1829925578343112,2.828172028097851,3.1668527664704618,4.420973130978681,5.549355442742665,6.684410536622779,8.06273108079018,9.227960559255134,10.334558456434944,11.646427156393049,176.70042945473608,330.18776079874135,473.5919000006968,588.8230878490884,812.0115936654104,974.293113186686,1194.210884866166,1374.390506975152,1594.0436586099308,1775.5469092198607,2.9277147619116763,4.694063927889125,5.403114146154989,7.4775044746431565,9.697289566739418,11.04112939356943,13.513230875769091,15.670263243517322,18.371216313170958,19.70549613140821,0.46579434061977903,0.6186773208825079,0.6975263498603608,0.9683392259210583,1.219303954148048,1.4601917613535884,1.7666992047710692,2.0268595547081936,2.2791976483053924,2.5548499326372514,720.5087634870918,1102.933637472316,24.16763023299575,167.14735721177027,-255.86426151326782,-20.129808219673023,553.3614062753215,1358.7978989855837,44.29743845266877,0.8116980739341118,1.242523553607633,0.027226343253250247,0.18830192606588822,-0.28824705372596643,-0.022677484839314338,639.5640139264858,979.0257940269611,21.452544899105547,148.36937468766698,-227.1194778003465,-17.868347474687024,0.17079008561520093,0.20636185592993053,0.9023478030384547,2.5035812813971963,837.7178874761743,49.93823322268776,0.9437414646751144,0.0562585353248855,1486.5537174094122,38.55585192171757,11.412834927018626,1846.5456942995393,42.971452085070844,12.268364944361307,2617.068802145791,51.15729471097735,13.78071380362018,5.5812461383621,5.5812461383621,18171.581326314626,18065.86042524937,153.13163750354215,1.0058519715406136,118.66640769053548,117.97601540590514,8.67373013312748,13.314372876707338,26.544775686564012,0.9936932766095529,14.48549589416574,16.4081743234434,8.49413526852584,63.797780361157585,32.01129867339873,1.129689339370974,19.957791842813293,14.869837580984758,53.75195123313246,0.6904277060672087,2.721128688034166,38.14392159211422,5.236266808842364,58.277222340308576,0.018870674400231234,2.3696634825094387,28.800845552396865,2.7598932240233,54.300923102951145,6.008390955162783E-4,1.4472234188413047,21.075383230305736,3.3519633119592216,50.79450283244229,7.381672895160205E-4,3.0809575728823275,10.492485309359813,2.5933607634464173,39.957171209181126,0.011165875349924524,1.2230509577557938,16.679288262269335,0.7333677761468347,18.40092767628975,0.2890955652434056,0.20183079600574613,3.307587464287813,0.28651110278504516,15.870223431743874,0.005006297677286439,0.40982873655350016,3.820147422291511,0.15651147131411663,14.348137127454754,1.6425410490696922E-4,0.5116166874151616,2.3994175584817565,0.11530909367296138,11.628835278990211,4.406830747926111E-5,0.6798232120021417,0.6320959517016745,0.14609795052946384,8.237984762212998,6.139842411227407E-5,1.4124682019002397,0.18110537166178767,0.14656217500202615,5.757354133829754,9.369160605269106E-4,3.9269560166992927,16.152828548723186,2.199556235437374,20.790614415740862,2.435540039008156,0.3632252854599335,6.437073954272491,1.4112984202054684,20.426349976714683,0.0510417805185697,0.6321330974779733,9.517025257670506,0.6453427629256951,20.308747933303376,0.001465529169498409,0.6442231189945639,5.3236236195256055,0.44882685282273577,17.057138885020727,1.464458138117867E-4,0.7200001490055264,2.665076541529525,0.560663494466988,13.704397837603032,1.9856453663078907E-4,1.5809526731814638,1.022690221476941,0.5194596410474055,10.003156956143084,0.0030245836830033036,13.67541001575597,16.68928228630381,8.333840906686214,59.732979724783306,28.694141767156573,1.1421944559436352,19.590756761820302,13.610916134230107,51.60549771818013,0.6152574271158554,2.5016089097215692,36.02528353170161,4.8388903037715325,56.52149904404381,0.01683501365759817,2.1821634467087763,26.774572010249543,2.5250559106088044,52.014669329073385,5.627666064480051E-4,1.4082061545772793,19.14693155580356,3.0708627369527486,48.22445064661099,6.963904502865399E-4,2.9709596983983837,9.446789670341152,2.3988604111312606,37.548150353792536,0.010539566368840602,5.784218367165669,15.95353128273602,3.150783536476395,24.42625424188398,5.155302363503415,0.46382365513350854,8.494944518575423,2.661394477002809,24.29971886006201,0.11051672394065058,0.8593410056861402,13.810481193240772,1.1163868706259108,24.994242273182916,0.003106194017312155,0.8091640910848892,8.073222618391215,0.7390194757633671,21.620968126158747,2.2007143767957993E-4,0.7783428626548906,4.678903958698527,0.9164571767759964,18.249071893867033,2.930148070061502E-4,1.7497354851445335,1.967628877044522,0.8130017102171055,13.663259988842183,0.0044577855050515645,17.493340372138107,16.592839727218657,10.546608231859832,84.92255293838612,46.64748214893472,1.400283394045919,24.28716598159278,21.412605702142447,67.43872119565535,1.0064564709563246,3.6587214617454884,47.733742609411316,7.353362314579453,72.83536789072805,0.027418872082499757,3.1955558399029416,38.47229825616143,3.712428195324848,68.74846626621581,7.46331861908362E-4,1.789036809409847,29.37617843966093,4.489083861284011,65.57207433154217,8.93240652142728E-4,3.6883907496101536,14.998148305136464,3.3645696591737373,52.05432985509265,0.013484928491337499,8.705968105826646,16.191351145971392,6.03483033602346,39.56773865141142,12.67154500096255,0.8415845679108419,14.789192489138145,7.492358618874078,38.07381075690016,0.2514044816385978,1.3571412461983265,23.805639464535165,2.8167663268919796,44.69998544471095,0.006936363342450914,1.263135862261698,16.762312121801777,1.23051401753958,38.69980103617935,3.141531817542844E-4,1.122916581599772,9.405833254416832,1.6176796719435271,32.95918362664535,4.013337579073441E-4,2.6104346333218165,4.284154453312156,1.4166111795723932,24.854906792012954,0.008110145759739486,61.366472311305714,0.8694458216254805,0.40553988009792513,0.9796462958850954,0.013879718786951606,0.5566380053184774,0.6508611447390353,0.5171935934134286,62.64145801302912,78.59396971637369,162.8729362267149,0.9694694438276433,1.7246927434709414,59.07759674149725,0.42394207321683886,0.07685258535171641,0.9915943575044559,0.007115701905579992,0.5158993868165163,0.15221045342688239,0.01857389401752333,59.578391400065804,29.61832593357499,91.12152713411695,0.987391536256684,0.686683734260922,58.81303185795991,0.5628817010998001,0.20435343460707409,0.9871226636868139,0.009447451807485737,0.5112711829981426,0.27242371389805425,0.13132574775745648,59.58026699366678,45.2384512877718,111.58379365763004,0.9806839955302208,0.9150206446536533,61.629691267318385,0.8622169550330407,0.3919714762621239,0.980055485804849,0.013711255717131759,0.5614170462472833,0.6395718367094455,0.4831644014364337,62.88387969861355,77.63321026448588,161.34573484371745,0.9700832287072735,1.6841532843931626,59.02901996440755,0.6391060720756516,0.26578940566592785,0.9849017793837443,0.010663512760025584,0.5150425393285566,0.3517118144293643,0.2221576801397587,59.93391544214913,53.584960844364275,123.54599559910235,0.9773526690756165,1.0889120338976797,61.826633776225265,0.9125607366796091,0.4310771551165916,0.9787299016401668,0.014446047366637692,0.5650164584706115,0.716974045284112,0.5843809039249269,63.17027166802146,83.46599195018204,170.9578774514939,0.9680948524602502,1.8663714076796505,61.55829857339865,0.8679597972346579,0.3938701843847523,0.9799136039571409,0.013816587409153357,0.5601153795061664,0.6477878724906825,0.4878566310517468,62.820128555018066,78.01797024276915,161.88263330186675,0.9698704059357113,1.6957598830485958 +UMLCN0389,L,ethyl linolenate,CCC=CCC=CCC=CCCCCCCCC(=O)OCC,Esters,Olefins,C20H34O2,BioCompoundML (2016),Unknown,PubChem,,27,0,0.4035000000000005,0.16281225000000044,89.3381,59.474961999999955,0,0,56,22,34,0,20,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3431.7645979999975,3584.8871370000033,4060.9023770000044,3835.3658960000002,3686.9961910000015,3358.6522410000007,3120.626984,2933.9452149999997,2752.343766,9959.966899566962,12432.537694313038,15901.014511738314,16348.382883959304,15699.320651154378,15064.686239307897,14029.433213492883,13075.203996046412,12276.393500754595,405.9415279999997,407.8304280000002,731.8562840000011,944.4647600000028,861.0667720000022,872.7197640000022,828.4506080000023,759.2464120000018,723.6345360000015,72.18124676486592,92.07872653999993,127.51313795443278,136.86580247929894,130.4338682551108,127.50530355050671,119.9917610670537,111.19455070795975,104.62040487311077,9193.989862229468,7948.495017103603,15502.306825156023,21458.1192576684,19233.37389601708,19724.968548592322,18984.88412763503,17289.216216260855,16518.136565007913,154.77777777777777,131.75,221.83333333333331,249.74999999999997,240.8333333333333,235.58333333333331,209.83333333333331,193.83333333333334,186.16666666666669,61.28151067857139,65.17976612727279,40.60902377000004,29.277602259541986,30.983161268907576,27.757456537190087,26.90195675862069,27.678728443396224,27.250928376237624,177.85655177798145,226.0461398966007,159.01014511738313,124.79681590808629,131.92706429541494,124.50153916783387,120.94338977149037,123.35098109477747,121.54845050252075,7.248955857142852,7.415098690909095,7.318562840000011,7.209654656488571,7.2358552268907745,7.212560033057869,7.141815586206916,7.162702000000017,7.164698376237639,1.2889508350868915,1.6741586643636353,1.2751313795443278,1.0447771181625873,1.0960829265135361,1.053762839260386,1.0344117333366698,1.0490051953581108,1.035845592803077,164.17839039695477,144.51809122006551,155.02306825156023,163.80243708143817,161.62499072283262,163.01626899663077,163.66279420375025,163.10581336095146,163.54590658423677,2.763888888888889,2.3954545454545455,2.2183333333333333,1.9064885496183204,2.0238095238095233,1.9469696969696968,1.8089080459770113,1.828616352201258,1.8432343234323434,0.3565685338593937,-0.1639674404868672,0.016148689743390697,-0.023113707427945038,0.002263454472859544,-0.015534380226496945,0.00605704980819557,8.195896697691557E-4,-0.02015896166790407,1754.333881928567,-16.671575429842683,-462.69533930101807,73.70290609566194,-219.66627966964302,-269.2900219528076,5.540028362243419,-69.24748011479664,-44.3522689426028,2859.625032338733,-141.54806779305477,-1083.781817807755,275.92461493891636,-285.0895586843984,-241.4526040505858,39.40963170083339,-82.41075010114588,-42.64026076612176,2.24640771428572,0.05172313775509696,0.8062339387755056,-0.24979618877551024,-0.27845067857143,-0.39119923979591875,-0.07615740816326211,-0.1146756020408144,-0.11001519897959011,12.781224591625904,-0.9653132513792623,-4.959168539551426,1.5127069271946656,-1.0268691721176637,-0.4480998943725224,0.21918312007922025,-0.2843732207899705,-0.12865965352951292,70.35511021764016,-5.806956925360441,-26.701647302322414,8.58324643134346,-5.253720892283919,-1.4791808938248499,1.2291117979711086,-1.445056159325947,-0.6385176505302366,44.2698412698412,0.07029478458049743,9.446712018140582,-3.7760770975056737,-4.765873015873021,-10.28344671201812,-3.0549886621315228,-3.669501133786852,-3.643424036281182,0.006367295247489173,-0.002981226190670313,1.6148689743390696E-4,-1.7644051471713768E-4,1.9020625822349107E-5,-1.2838330765699955E-4,5.22159466223756E-5,7.731978016690149E-6,-1.995936798802383E-4,31.32739074872441,-0.30311955326986695,-4.62695339301018,0.562617603783679,-1.845935123274311,-2.2255373715108067,0.04775886519175361,-0.6532781142905344,-0.43913137566933463,51.06473272033452,-2.573601232600996,-10.83781817807755,2.106294770526079,-2.3957105771798184,-1.995476066533767,0.3397382043175292,-0.7774599066145838,-0.4221807996645719,0.04011442346938786,9.404206864563083E-4,0.008062339387755057,-0.001906841135690918,-0.002339921668667479,-0.003233051568561312,-6.565293807177768E-4,-0.001081845302271834,-0.001089259395837526,0.22823615342189113,-0.017551150025077497,-0.04959168539551426,0.011547381123623402,-0.008629152706871123,-0.0037033049121696065,0.001889509655855347,-0.0026827662338676462,-0.0012738579557377517,1.2563412538864314,-0.10558103500655347,-0.2670164730232241,0.06552096512475923,-0.0441489150612094,-0.012224635486155783,0.010595791361819902,-0.013632605276659878,-0.006321956935942936,0.7905328798185929,0.0012780869923726805,0.09446712018140582,-0.028825016011493693,-0.040049353074563206,-0.08498716290924066,-0.026336109156306232,-0.03461793522440427,-0.036073505309714676,-0.4682091963374724,0.025361930169264003,-0.027710434000482984,0.0029872379217611347,-0.020162926747840877,0.008200647934924333,0.001214326918441408,-0.03134669779274715,-0.009675863390640325,-0.14769673702233183,0.017959287075531103,-0.05892399842937682,-0.07104126192193093,0.0015245082354552065,-0.020853256485050053,-0.014017489652795779,-0.05039879963135811,-0.21223685312195545,0.04124754323226547,-0.046915169228445235,-0.0390773819861618,0.006653088858374497,-0.01522498728961311,-0.008267561136111753,0.023443455124662647,0.20098355380596694,-0.04753505025807158,-0.05833118031605568,-0.0805957381147088,-0.01636641696268645,-0.0269689854348128,-0.027153809069916265,-0.07689907914209568,-0.21728233959430943,0.05059400515867545,-0.0378080009564491,-0.01622575940159709,0.008278748250557029,-0.011754343883059546,-0.0055813153903932315,-0.08403850043126707,-0.2125349877648461,0.052152203807741944,-0.03514086234503313,-0.009730346311831646,0.008433848151560995,-0.010851036877510841,-0.005032038004313132,0.0016167410932559426,0.11949802796701336,-0.03646276675817494,-0.05066121106025787,-0.10750617093718233,-0.03331437544046201,-0.043790633012441176,-0.045631884809133584,1.5221828803484303,1.0429647701398346,1.1223141175787923,1.0528417802135732,0.9322218115029498,0.8048462425447589,0.8497950375047787,0.905175486111631,1.1867629021171557,1.2165937361385957,0.9617462168117477,1.061021326579988,1.0548530212774916,0.9437750487099738,0.9791000713064095,0.9712010838277415,1.3564152629960566,1.3249703819530143,0.9263714364735611,1.0494295503236903,1.0180855206689339,0.9665604984071359,0.996472700755466,0.9814969776725844,0.7299957125198087,0.7531184073314746,1.086363192651569,1.0847682872716287,1.0951322953170444,0.7752525353198476,0.8401728005004988,0.8731419763267666,1.427042355110729,1.3486681099688451,0.9153096557061823,1.0436728041911791,0.9954538733121556,0.962674615388509,0.9922076177192407,0.9770075205090296,1.4394973298185512,1.3473141209172739,0.9143056194827075,1.0424171137349265,0.9895706399447267,0.9585353046660332,0.9884855600909885,0.9739489445349482,0.6249551810684842,0.5897857655073511,0.943245205400717,1.276311349208025,1.3228103914729963,0.8001396341538816,0.8580436451828963,0.8948831867769078,291.16794749760635,145.833973748803,233.65989161348577,291.62249295215145,13.255567861461433,145.833973748803,0.49999999999965894,0.0020005883949172354,9.093583613260161E-5,-13.671490677308554,199.7753693158625,9.080698605266477,11.653825880219317,291.1858508009476,145.84219097957254,233.66982643666722,291.6390609447635,13.256320952034706,145.84219097957254,0.4985311581974372,0.0021037734786344964,9.562606721065892E-5,-13.560849834726989,199.8102013899501,9.082281881361368,11.654209430421352,307.29697919030457,153.2494951170941,242.74709637667442,306.57153468474417,13.935069758397468,153.2494951170941,-0.7979889561163702,0.09482519858332267,0.00431023629924194,-5.18258421384187,349.3432174733845,15.879237157881114,12.883320714234612,291.2046413330455,145.85081546674155,233.68025395256893,291.65645006071605,13.257111366396185,145.85081546674155,0.4969896004376153,0.002212071149698347,1.0054868862265213E-4,-13.450417267132101,199.84682807247046,9.083946730566838,11.654612669678166,324.8543899805363,161.34490072592888,252.966671288197,322.88658222719215,14.676662828508736,161.34490072592888,-2.1645885286785926,0.19621339675392158,0.00891879076154189,-3.5828153967566663,210.80851462658057,9.582205210299117,11.772090457199985,293.0463108496159,146.69628961068628,234.7040312813882,293.36110027848554,13.334595467203888,146.69628961068628,0.3462683717566222,0.012822168020844016,5.828258191292734E-4,-9.584475404673782,203.80579814071416,9.263899915487007,11.697768655176196,314.85912092719025,157.57394937428845,256.89832977835465,315.58054949861855,14.344570431755391,157.57394937428845,0.8817460317457915,0.11577714162464892,0.005262597346574951,-4.74339388297478,171.84441528522234,7.811109785691925,11.322496911340735,0,11.889999999999997,15.995924706363354,-0.3159774230139287,0.2615184137393409,4.194045923034996,7.98023908562658,21.0,55.0,51.0,51.0,17.0,4.0,4.0,0.0,0.0,4.0,40.04303799999999,3.6123572130811854,3.5665252683116484,3.477936775993303,3.3416948901668717,3.183942535437555,3.033849613992837,2.868006712726948,2.706713392989786,1.935772744517911,1.8825590855993548,1.797478739091389,1.697895080752488,1.6411078977363618,1.5347766101167912,1.3878016276985599,1.2197193173211673,3.6303080252974222,3.5470350690160473,3.4621533512697336,3.3216904481440714,3.1843245199594845,3.053172534992937,2.872834663821699,2.718660503979873,1.8861598427488857,1.8352917629938197,1.7556546332294019,1.6637701072990698,1.5816170752650076,1.468577850960378,1.3236405624190126,1.1618727932115585,3.7233561515018594,3.6722814992382213,3.5920199142196534,3.476348277346395,3.3467336476027567,3.222638251963082,3.0635693350866697,2.9066966728147503,1.7398241188928663,1.6743784534148631,1.582084544622677,1.4551472669687786,1.3459262181152378,1.2434735737039808,1.0702540476164069,0.9076529516860998,3.6450148416159713,3.5612225157709165,3.4706785246844296,3.3265777476724785,3.192927636387352,3.076366947718369,2.892944494168745,2.736414448000366,1.8565509627097747,1.8098450056958515,1.7361390595522888,1.6420422586896415,1.5415459072105289,1.4265602602117333,1.2844636285921387,1.1266198405922412,3.768799289383684,3.714477747405222,3.6314584619677284,3.522007147628226,3.4104870862353938,3.2943393385071897,3.135659858296357,2.977120654892157,1.697753523910204,1.6275174900698013,1.538772024758404,1.4093586409478935,1.2879340562843604,1.1739014692343335,0.9989420277331383,0.840761827616863,4.829646095855355,3.7285823474663227,3.589944744920731,3.4365626885335736,3.3746867597945216,3.303051248692752,3.066981763371095,2.9208334724005205,1.8526501630395789,1.7317469783062092,1.651793449195703,1.528001558023538,1.4124706140975867,1.341795249598889,1.1911904156055546,0.9580692695816088,0,0,1,6,0,3,10,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.49279927982674443,0.348461712529338,0.08333333333333333,0.10059223176554563,0.07112944921610614,16.30527233054749,10.808060412490448,7.632269453018,5.081951230073507,3.501256470510539,2.1466380477393474,1.429513972661226,0.9483190238696735,0.7411487422976131,0.5146695434519261,0.36344140252466667,0.25409756150367535,0.18427665634265997,0.12627282633760867,0.08934462329132663,0.06322126825797823,14.558772789117508,8.914180120808224,5.405329631009537,3.337050171786751,2.1215655886338816,1.2744231838902955,0.7858617113715581,0.48392888592643485,0.6617623995053413,0.42448476765753446,0.25739664909569226,0.16685250858933756,0.1116613467702043,0.07496606964060562,0.049116356960722383,0.03226192572842899,30.64067087319352,54.754552075746616,52.03137254901954,52.72000000000005,34.535905389221604,428.01746227544913,0.5471548370213128,0.9777598584954753,0.9291316526610631,0.9414285714285723,0.6167125962361001,7.643168969204448,5.9175700000000075,95.08700000000006,162.48749403768932,258.4183639143959,324.97498807537875,14.771590367062668,162.48749403768932,0.06362161332150401,0.0028918915146138187,-6.060564475386939,210.11350600603495,9.550613909365225,11.764825356873624,635,0.0,0.0,2.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,11.0,5.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,11.0,0.0,6.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.0401374585765,13.343316219027344,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8867460787312131,0.0,0.0,4.013677218340906,2.0175714518643844,0.0,1.8867460787312131,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.00801360367734,0.0,11.275199385385484,0.0,13.395471039082553,0.0,0.0,0.0,0.0,-0.052154820055209994,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.136409961691596,4.903727496884904,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.903727496884904,-0.052154820055209994,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2915336181725522,0.0,0.0,0.2680399747105162,0.3220243883228673,0.0,0.2915336181725522,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8519083323137318,0.0,0.49583047154114346,0.0,2.201307503818748,0.0,0.0,0.0,0.0,-0.052154820055209994,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.136409961691596,4.903727496884904,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.136409961691596,2.282575767770122,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3242772937677903,0.0,0.0,0.5637282827479468,0.5256815178818697,0.0,0.3242772937677903,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1561052713636086,0.0,1.254778913455133,0.0,2.282575767770122,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.136409961691596,4.903727496884904,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,44.66666666666667,2.0303030303030307,0.5637282827479468,11.136409961691596,0.14466595300414697,-0.052154820055209994,10.924193701115314,1.7188214867218767,4.136409961691596,14.183427538045324,1.7188214867218767,4.136409961691596,14.183427538045324,10.66666,0.48485,0.0,0.01515,0.48452,0.7697,0.42941,0.46667,0.7697,0.05511,0.01786,-0.03726,0.0,0.62992,0.08437,0.0,0.125,0.04688,0.0,15.75,0.71591,11.25,0.51136,4.5,0.20455,-6.75,-0.30682,0.0,0.0,23.40544,1.06388,31.96926,8.56382,0.38926,8.09994,0.36818,10.80805,2.70811,0.1231,0.10595,0.00482,0.10595,0.00482,0.0,21.02,2,2,2,2,0,0,0.65,1.1392781631244115,2.4861046398635493,3.8697925387715704,4.610577243331644,4.958966082694625,5.030394654123194,63.799577134967045,139.22185983235877,216.70838217120794,258.192325626572,277.702100630899,281.7021006308989,0.1961784975113513,0.4280958669188239,0.6663606049069347,0.7939203484566895,0.8539113157798203,0.8662109896222555,4.668076758933193,3.3212502821940553,1.9375623832860343,1.1967776787259607,0.8483888393629799,0.7769602679344105,0.1936677363499052,0.42261694598880106,0.6578322883608196,0.7837594776096106,0.8429826595092458,0.8551249178154536,9.552799292720403,21.37061759254097,26.12548307732987,28.983128824210695,30.119399172247267,29.798808997104413,81.26883907370753,48.93259069787263,34.87820653213749,25.776118412690792,22.56597670816617,22.84481081252536,22.0,19.047619047619047,19.0,22,3,18,3.44,2.871999999999997,0.04999999999999999,4.192466550569759,0.28005601680560194,0.0,28.42338870952683,2.6864293036505376,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.49000000000000005,0.47800000000000004,0.8580000000000001,0.48800000000000004,10.164,21.0,20.0,19.0,17.0,16.0,15.0,14.0,13.0,12.0,190.0,3.258096538021482,3.4011973816621555,3.4657359027997265,3.5553480614894135,3.58351893845611,3.6635616461296463,3.7376696182833684,3.8066624897703196,3.871201010907891,3.8918202981106265,5.978885764901122,2.0736842105263156,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,0.7142857142857143,17.0,0.8095238095238095,2,10.0,20.0,1.0,1.5,0.666666666666667,0.375,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.07142857142857142,0.03174603174603176,0.01875,0.008421052631578949,0.006535947712418302,0.00510204081632653,0.004166666666666667,0.0035273368606701934,0.0030769230769230774,0.0027548209366391185,0.17578442951060105,162.48749403768932,258.4183639143959,324.97498807537875,14.771590367062668,162.48749403768932,0.06362161332150401,0.0028918915146138187,-6.060564475386939,210.11350600603495,9.550613909365225,11.764825356873624,26.3,361.5107698160574,5.459431618637297,4.442651256490317,5.117993812416755,5.814130531825066,6.499787040655854,7.201170883281678,7.890956716138919,8.594709633844065,9.286653054825347,9.991818891326092,107.83987182080409,3.7612001156935624,0.0,4.844187086458591,0.0,6.056784013228625,0.0,7.3310603052186325,0.0,8.63994165667529,8.961237781491876,306.25588032800096,5.46885500585716,42.65157338339059,1.9387078810632088,5.316475192162178,5.316475192162178,0.0,1720.0,20.0,8.282,84.0,1.2358513075226967,2.1526595187225372,2.9221337192650574,3.7484861506179,5.041675981234782,6.0478106273382375,7.392473743242569,8.498049299698089,9.793574532824445,10.965746969467991,92.35183767874766,97.36752768293341,101.64480480146091,144.3288722842995,163.48566947613028,191.74099387863802,231.29769730152898,261.11667162589606,294.1615995442815,333.50565960467924,305.5598699840948,366.86986977657693,404.14094476746425,576.5917552574499,691.0824787162885,816.4087386421257,985.3564348494168,1118.0591010360222,1257.3431943284606,1426.2750100052947,9.215475313482672,15.832048930865298,21.13788415390761,27.29681572652073,36.49264766263522,43.42456224803221,53.138661770502615,61.11793650927965,70.44767159358506,78.50100723509465,2.206497647176504,2.885116219023873,3.274584200815495,4.62362337593333,5.692092626861756,6.784687984638417,8.197771442736386,9.329287014732323,10.517209919615587,11.961994704470767,176.46443646421037,330.1678976139597,474.25038741393837,590.0891092667787,811.889880363864,973.7629706985356,1193.5045002089616,1373.9698086262047,1592.2319596878738,1772.917268964804,3.068429196306554,4.960673222850839,5.738561133669296,7.919525117283809,10.077949851670024,11.391905468805554,13.887360644999687,16.109687875855236,19.127449013380097,20.70916560083814,0.4708424940779312,0.6312708037278092,0.7211020126852972,1.0121387371943795,1.2502330897639324,1.48176974148587,1.7959486789829715,2.0492259759031333,2.3194209860510644,2.6229394699247526,705.7962923912492,1098.6291966368358,25.11442555614526,174.38054704742603,-271.4374705238689,-21.227276550864246,531.4157453438231,1370.0666671607046,46.34170210700951,0.801880100414099,1.248191439958221,0.028533386054740723,0.198119899585901,-0.308389698934791,-0.02411705875424051,621.2255499244648,966.9879740108609,22.105135710325825,153.48571875979064,-238.9129749109275,-18.683757184430394,0.1679581208787267,0.20294005602367818,0.8556931373323778,2.496745031779655,830.4272981247437,49.74954131393152,0.9434777886843072,0.056522211315692926,1507.5675151466587,38.82740675279072,11.466360459658535,1847.9342161543873,42.98760537822952,12.271439265755333,2639.1165600171394,51.37233263165241,13.81930463545538,5.271749852596162,5.271749852596162,17960.866311247333,17853.55252395113,148.49599170853253,1.0060107806080745,120.95185940439973,120.22918813185225,8.623934641949662,13.30881448138789,26.521416227833686,0.9927707509127395,13.840845279230916,15.638958968033485,9.009623157954865,51.74127165832529,28.129116983567517,1.0528865052377234,20.030961290872998,14.649803671994169,51.40635847910631,0.6321675881542691,2.3220769574616544,34.1580993491756,5.698796470147135,56.86274227817608,0.019361145638817842,2.1204973503688858,28.213255168748585,3.2194393373118917,51.60320404833321,5.89848005473133E-4,1.5435657964736949,20.007688070944283,3.583708356508017,45.45313481353819,7.184255477687877E-4,3.2671908439809885,9.354600142622258,3.391706685726808,32.90761254721194,0.009991023495240904,1.1689696201005453,15.91205140396229,0.7769376195784999,18.383074764108898,0.2668886904343471,0.1950116330164252,3.384611954108904,0.29734605802694564,15.604971663059942,0.00459828524597445,0.40409244588685805,3.480046456130486,0.1744766564789322,13.867381129474838,1.6775795659229514E-4,0.5292252486764883,2.2552373791346203,0.14113602087603094,11.398774174956916,4.3732887999165E-5,0.7468487685505801,0.6056366632975242,0.16474710700285655,8.063244377638592,5.9788215072985196E-5,1.4646788497333831,0.1828659439571096,0.1668050511485308,5.492547248758052,8.38351211993549E-4,3.752321247796512,15.385733643447098,2.340175437054878,20.01256679645763,2.1638250852714926,0.33869366799551603,6.51361118461575,1.4269621598897282,19.793319360997035,0.04677176745568918,0.5982043009811602,8.479357236684681,0.7167930220035692,19.622521519387924,0.00150165348514877,0.6381839693894957,4.902802616730722,0.5405953585709893,16.547539073344694,1.4497620888856937E-4,0.7883236706626825,2.527081411124156,0.6213978968796654,12.85970028677029,1.9333588253131985E-4,1.6474593542736804,0.9579265398192256,0.6157125661991876,8.85465693705484,0.002706383035536348,13.06691682066864,15.920148570740347,8.820284422367948,49.01365857554956,25.238680083735098,1.0685528444325152,19.66417908781578,13.423173685539643,49.406588497484826,0.5633503062701046,2.1450059981209804,32.27753078791974,5.261681422690545,55.156863985573274,0.017272048610497127,1.959938667720143,26.151536029063273,2.950056794021457,49.550269640826265,5.527960771466212E-4,1.4978513525117643,18.176617508287418,3.289062625616886,43.377870679608435,6.777879319132334E-4,3.1382845345152646,8.44447502558308,3.1202550478708058,31.119268407406715,0.009430624312804097,5.526829392475779,15.186359779721261,3.357914064511356,22.622529838676734,4.552460361839026,0.4281293565396521,8.57107591102941,2.6650091339383746,23.397486399814476,0.1012359850352592,0.7905888897910719,12.280037488257197,1.235449209234429,24.1717183444428,0.003184539612797095,0.7777300042453705,7.518074648164597,0.8827626158233378,20.852867550424133,2.1751419598142697E-4,0.8491238239402729,4.435241453694628,1.006501069743654,16.827320206723126,2.8527768008233264E-4,1.82971568788811,1.8062323965300833,0.9860278639250551,11.765335692093764,0.003988794746329774,16.71482985184693,15.822543924000456,11.16772462716775,67.23227926218726,40.968884845949525,1.3134993727299265,24.35895124060704,21.051232933845867,64.52431052785764,0.9214820119065983,3.0814377021184143,42.84386806822054,7.980600965266191,71.23512957117654,0.028134017844068125,2.8335671134376446,38.097800965000154,4.308946590393955,65.10493730580856,7.311440179163549E-4,1.9025144095219952,27.897238863250323,4.771547822409058,58.37227441851441,8.692477345064633E-4,3.9347745588925367,13.318764442478528,4.481025335207607,42.54927307475602,0.012066019291853398,8.028792029971097,15.228097448303147,6.22054484013526,34.56101572861432,10.63482430323405,0.8707743972961738,14.13781119499341,7.05480113064115,35.11907152556298,0.21695158012089122,1.1422095078773868,20.45097743699861,2.8813400547169863,41.25670592359048,0.006704944946873156,1.128322936949209,15.308843982277333,1.3673369576187449,36.10409792738274,2.9323458855856014E-4,1.1594342018553396,8.336781914638888,1.6794622583337606,29.87366692427609,3.6814812830792846E-4,2.558471271119692,3.7128881169426484,1.642945400547174,21.433901756690233,0.006831973353275011,60.46574221405192,0.8860415474981791,0.3648433404715703,0.9797318008662081,0.01435661002720537,0.5419967401944732,0.6316653843971342,0.46423764871910983,61.716627102021675,75.95894953341792,157.22211690388653,0.9695977012993123,1.6378997733107172,58.46070911317899,0.4217297313341504,0.06719526588268132,0.9917060554387629,0.007154068684198635,0.5066971222359664,0.14086514673844758,0.015747255157105358,58.94963411039583,28.61124028188268,89.21754808115823,0.9875590831581444,0.6633095241315194,58.254532882698214,0.5630107924382678,0.180645635279512,0.987395266932599,0.009542848670761994,0.5030800627069825,0.2547790921037126,0.11381053280903325,58.998189310415995,43.42306326418453,108.34605560562288,0.9810929003988985,0.8716696876197283,60.686628680176,0.8783879391228333,0.35221567851501545,0.9801250221954559,0.014186485838028118,0.5459626579888361,0.6205381687098638,0.4326581406132276,61.91723229781385,74.99056680004696,155.68314989357543,0.9701875332931839,1.5991589673119275,58.444554990944354,0.6419626734448828,0.23620993808719654,0.9851966919421382,0.010821529949645876,0.5063679215755856,0.3315881953728923,0.19459148962819242,59.322727602476434,51.47604544957653,119.66118633970127,0.9777950379132074,1.0325476065766703,60.868819702123254,0.9324025445212097,0.3886920667246613,0.9787570922740141,0.014992825682680976,0.5492467261761985,0.6994926063238898,0.5269129403450913,62.18991431336912,80.77588717342083,165.025725249857,0.9681356384110212,1.7756522728451798,60.66094099115021,0.8835335319813614,0.35379240634389114,0.9800103298572961,0.014273962354843083,0.5455009064240275,0.6276445305504955,0.4365404837563379,61.89826692947547,75.36994318593291,156.23005923922983,0.9700154947859441,1.6096859207308611 +UMLCN0390,L,glycerol triacetate,CC(=O)OCC(COC(=O)C)OC(=O)C,Esters,,C9H14O6,BioCompoundML (2016),Unknown,PubChem,,5,0,-0.2708000000000007,0.07333264000000038,47.9706,29.98710199999998,0,0,29,15,14,0,9,0,6,0,0,0.0,0.0,0.0,0.0,0.0,2848.409990999999,2620.2957380000003,3540.018361000001,2982.6806500000002,3050.2135830000025,3516.5992480000027,2783.6324449999984,2496.216196,1196.0115879999994,5545.169199563129,6448.4626566163,7843.573546073946,8036.339036622724,8336.5181848302,8464.010241829483,7385.834728599688,6185.152286751143,4294.789345040266,242.03343600000014,227.65438400000005,398.57947599999994,447.8970399999997,393.332892,478.0318719999999,468.2566759999997,339.9289599999999,282.7313920000002,35.18390466788602,41.58818034000001,50.74635853333904,52.140190073395985,56.95357369339603,58.81891230873505,50.961711163282025,42.38454249418803,32.571797412,4842.704047964487,4157.777404165601,7853.818337358489,8587.375884530695,7641.744102282846,9729.295685114435,9747.625963248882,6965.728023477689,5597.3494779085,224.3611111111111,107.0,217.6388888888888,217.27777777777774,177.5833333333333,262.88888888888886,230.77777777777777,244.99999999999991,199.0,98.22103417241377,93.58199064285715,73.75038252083336,58.48393431372549,63.546116312500054,59.60337708474581,48.83565692982453,59.43371895238095,35.17681141176469,191.21273101941824,230.3022377362964,163.4077822098739,157.57527522789655,173.6774621839625,143.45780070897428,129.57604787016996,147.26553063693197,126.31733367765489,8.345980551724143,8.130513714285716,8.303739083333332,8.782294901960778,8.19443525,8.102235118644066,8.215029403508767,8.093546666666665,8.315629176470594,1.2132380919960697,1.4852921550000002,1.0572158027778966,1.0223566681058036,1.186532785279084,0.9969307170972043,0.8940651081277549,1.0091557736711436,0.9579940415294118,166.98979475739608,148.49205014877148,163.6212153616352,168.37991930452344,159.20300213089263,164.90331669685483,171.01098181138389,165.85066722565927,164.62792582083824,7.7365900383141755,3.8214285714285716,4.534143518518516,4.260348583877995,3.699652777777777,4.455743879472693,4.048732943469785,5.833333333333331,5.852941176470588,0.7616272109716004,-0.4657122163117803,0.20584290956821405,-6.96087192017282E-5,-0.2875432764995485,0.2754171367432113,-0.1613743963658692,0.05784685593991436,0.013648888676828438,1206.5678522068968,33.5483709726513,428.63248762306785,-943.9798167776466,-415.10832468727733,334.3751062342453,60.807925386444865,279.6674925279431,-1020.9470606563622,1283.99490937304,-220.4573259744936,81.32696368064637,-109.97984577331658,-477.4101740338092,-188.85815621874127,449.02886361599906,179.07300114018594,-1077.9596734855304,4.905109241379312,-0.32210712960760995,1.223326634958382,-3.6396643900118937,-1.0322023305588581,2.3212032675386447,-1.023037060642093,0.7207979262782402,-1.540119248513674,5.828619112078968,-2.169531423027816,-1.233324436608388,2.586345589424716,-1.8193787214675896,-1.967739432670961,2.40188908590506,0.12723152648742875,-3.012347852246234,34.105120159078936,-14.047692366403925,-8.976141158158436,17.820929676066168,-9.78969432723499,-11.578277600812333,13.240525183360372,-0.1779013281918813,-13.812427384656566,96.75095785440608,-5.43195930770247,30.64209274673008,-67.69612894702074,-31.43932487779097,17.662802219579863,-8.565101070154578,52.92773153653063,-37.365107676047046,0.02626300727488277,-0.016632579153992154,0.004288393949337793,-1.36487684709271E-6,-0.005990484927073926,0.004668087063444259,-0.002831129760804723,0.0013773060938074848,4.0143790225965993E-4,41.60578800713437,1.198156106166118,8.929843492147247,-18.509408172110717,-8.648090097651611,5.667374681936361,1.0668057085341205,6.658749822093884,-30.027854725187122,44.27568653010483,-7.873475927660486,1.6943117433467993,-2.156467564182678,-9.946045292371025,-3.2009856986227336,7.877699361684194,4.2636428842901415,-31.704696278986187,0.16914169797859696,-0.01150382605741464,0.02548597156163296,-0.07136596843160575,-0.02150421521997621,0.03934242826336686,-0.01794801860775602,0.017161855387577148,-0.04529762495628453,0.20098686593375753,-0.07748326510813629,-0.025694259096008084,0.0507126586161709,-0.03790372336390812,-0.03335151580798239,0.04213840501587825,0.003029322059224494,-0.0885984662425363,1.1760386261751357,-0.5017032988001402,-0.1870029407949674,0.34942999364835625,-0.20395196515072897,-0.19624199323410735,0.23228991549755038,-0.0042357459093305076,-0.40624786425460485,3.3362399260140028,-0.19399854670365962,0.6383769322235433,-1.3273750773925634,-0.6549859349539785,0.2993695291454214,-0.15026493105534347,1.2601840842031102,-1.0989737551778542,-0.6333082491242007,0.16328647760910064,-5.196955675361828E-5,-0.22809592459744943,0.17774381336400463,-0.10779914619725742,0.052442817358722776,0.015285298368842333,0.028797822696223503,0.2146298368538531,-0.4448757987455209,-0.2078578609343651,0.1362160159294314,0.025640800466300254,0.1600438338279297,-0.7217230141161629,-0.17782843236788642,0.03826731725988638,-0.04870545740078832,-0.22463898522744097,-0.07229669259778172,0.17792382183227873,0.0962976120402135,-0.7160746396880573,-0.06801295124086033,0.1506782293557082,-0.4219300697846627,-0.1271372788435489,0.23260040979572771,-0.106112323704041,0.10146436740719485,-0.2678087396403958,-0.3855140720173909,-0.12784048836542658,0.2523182715475801,-0.18858806115420826,-0.165938782382798,0.2096575058280996,0.015072238900540477,-0.44081719385453333,-0.4266044393727477,-0.15901088334416572,0.2971245891683146,-0.17342284565435392,-0.16686696241632032,0.19751895076187553,-0.0036017064533896696,-0.3454375181331046,-0.058148859496277544,0.1913462300015841,-0.39786559325139864,-0.19632458980146783,0.0897326138959962,-0.045040205257322004,0.37772585669781983,-0.32940489279824103,1.6234839625259176,0.960836918908894,1.3442043912026802,1.2585937469298378,0.6974098427340648,1.1072260922246422,1.020128303828877,0.8366207990687031,0.761690036179092,0.7490521502902522,1.4930848047901717,1.1049892597031075,0.8140041304147225,0.9978241882685698,0.8002305748773051,1.6748675076296005,1.3480668162842955,0.9401140509473076,0.8981732011894249,1.2559804807740855,1.0587594743330846,0.725582381759092,0.8849735422428807,1.6427546066703997,0.7902168553763025,0.8467123691416067,1.7574963060608375,1.023969685383458,0.671673881372195,1.1631705177958434,0.8153702197415994,1.3103936494985293,1.7903688323563964,1.1370193315403208,0.6246780562262112,1.3170847095564653,1.1512386552735767,0.6269185097538404,0.9554762282463839,1.4017344374825416,1.8555519319449323,1.1767151058444276,0.6198190276127538,1.3154124100123392,1.1462306592874,0.6339577172304512,0.9671975818831082,1.3223632569247623,0.6129712498019962,0.5192670382543961,1.4833470771486175,1.0675078541633674,0.8624858041115058,0.9335074380073425,0.6888629283489104,2.113775495942081,92.0389642825337,46.76948214126683,65.99425068725796,93.33896428253367,6.222597618835578,46.76948214126683,1.4999999999999645,6.098366169687841E-16,4.065577446458561E-17,-52.55001089045409,6000027.444005727,400001.8296003818,23.410911901774234,92.09540061139931,46.795497042995756,66.02979267075354,93.39158162271255,6.226105441514171,46.795497042995756,1.495593474592198,9.535558107010011E-16,6.357038738006675E-17,-51.879500577157344,6000027.4464926645,400001.82976617763,23.410911902395966,142.12721356880712,69.86662335022943,97.68996379548024,140.05244228290525,9.33682948552702,69.86662335022943,-2.393966868348244,3.614763924384562E-16,2.4098426162563748E-17,-53.33450240832656,6000029.687418258,400001.97916121717,23.410912462624697,92.15463174865681,46.82280027498523,66.06709533935953,93.4468047097953,6.229786980653021,46.82280027498523,1.4909688013136346,6.518977320305909E-17,4.345984880203939E-18,-55.903843604965054,6000027.449103265,400001.82994021766,23.410911903048614,195.09490039857212,94.30056740626854,131.37906856543287,189.46697022400843,12.631131348267228,94.30056740626854,-6.493765586035039,1.1032350028103086E-16,7.35490001873539E-18,-55.11467206871306,6000031.895624688,400002.1263749792,23.410913014673472,97.94994596112667,49.49437553819823,69.71968024675488,98.85024372769382,6.590016248512921,49.49437553819823,1.0388051152697884,2.3289001478167537E-16,1.5526000985445023E-17,-53.993948057004744,6000027.706660209,400001.8471106806,23.410911967437553,85.49784102997329,43.663525442344735,64.18547306297475,87.1955365032243,5.813035766881621,43.663525442344735,3.6379188712521966,4.469599933336888E-16,2.9797332888912584E-17,-53.01609387548507,6000025.811078432,400001.7207385621,23.410911493544223,0,11.889999999999999,15.999928231678231,-0.3140493116988247,0.3020670292657549,3.7822304687499995,8.115256839724076,14.0,28.0,25.0,25.0,11.0,3.0,3.0,0.0,0.0,3.0,23.926897999999994,3.609634001988158,3.4145788030628235,3.376642810799697,3.069330990736481,2.5170048292487257,2.1942797578699125,2.094027595992526,2.0505776184071127,1.7349987876819661,1.57075662768236,1.556749694520242,1.4824632811215137,1.1189858760751323,0.6463636130797737,0.4754278544111597,0.4664351911599127,3.4682867928099252,3.2442341579714764,3.2137216314288852,3.0192954568628014,2.4592319301778427,2.0952235410203848,1.9863194716691999,1.933897146700343,1.7865610019751053,1.5989353947959417,1.5710544398687005,1.430767197707534,1.0799599862942346,0.76186582957011,0.6276880860038421,0.592905009004875,3.6799714288705148,3.47984489848398,3.4432705661165723,3.2081090411060917,2.756849991955789,2.478091263784605,2.369352178734174,2.314380406903951,1.5539653212773459,1.3387104332392574,1.3136410824801779,1.1785631426608716,0.7156239506761027,0.3354535210243262,0.21439362618486293,0.17557926607006274,3.4366696923830746,3.2063351568450638,3.1795188921006017,3.0207654475020456,2.4667698168639363,2.073101958851205,1.9623185761248192,1.9148783728625123,1.816179981500918,1.6273198079523676,1.592506423091939,1.4026605375050638,1.0476878954791748,0.784985903673198,0.6620492869102887,0.6135452050992758,3.6825866600971926,3.479911007617288,3.4469909964808636,3.2590973775535015,2.839205735861092,2.543117927641365,2.4249641681221097,2.374648343650794,1.539288204347663,1.320766604220966,1.2916662575926143,1.123220671375874,0.6311267705557506,0.2801281477260127,0.16515416089064386,0.11674627348440834,4.846978380759813,4.842050281292865,4.839565555208042,3.535292408940374,3.094323672085458,2.93676917568049,2.8107000478117286,2.7371359295272923,1.6107685286511726,1.2270855339107332,1.207837534032475,1.1709696738154385,0.8554597071007771,0.22339167491140777,0.12443745501538551,0.12929547492792257,0,0,3,0,0,5,1,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4288690166235207,0.0,0.0,0.0,0.3678511301977579,0.0,0.0,0.0,1.2195787943777125,1.3377643330114815,1.7057007531136672,0.32111426259404335,0.334931489700965,0.3069312103843098,11.844934982691242,6.913591357920935,6.437968752911264,3.109268306764676,2.184777681817287,1.7169629925277157,0.9257769097176194,0.7367811436816925,0.7896623321794162,0.49382795413720965,0.37870404428889787,0.222090593340334,0.1456518454544858,0.10731018703298223,0.07121360843981688,0.061398428640141035,8.941053574345899,4.354293981904457,2.83661293744564,1.277608274639601,0.7714625129394688,0.43973518497819397,0.17560166759530066,0.10134577252781204,0.5960702382897266,0.3110209987074612,0.16685958455562588,0.09125773390282864,0.051430834195964586,0.027483449061137123,0.013507820584253897,0.008445481043984336,17.081589253002235,30.19883466860888,29.17254901960785,29.719999999999985,17.471318562874252,223.61030059880244,0.5890203190690426,1.0413391265037546,1.0059499661933742,1.024827586206896,0.6024592607887673,7.71070002064836,0.04429999999999995,48.82000000000002,58.77217915715285,81.55879509015347,117.5443583143057,7.836290554287048,58.77217915715285,5.997600218606713E-16,3.998400145737809E-17,-52.57500309337348,6000028.563963279,400001.9042642186,23.410912181762313,172,0.0,0.0,6.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,2.0,0.0,0.0,0.0,1.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,45.66088876291258,-1.5099461451247158,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.5890972222222226,1.8266372984378938,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.682390715545477,0.0,-0.24564814814814806,0.0,0.0,0.0,-0.7543518518518522,0.0,0.0,-1.5099461451247158,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,31.64363252708491,14.017256235827666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.629739229024944,-0.5284221466364325,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8398611111111112,0.6046575806248425,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2167998866213152,0.0,-0.12282407407407403,0.0,0.0,0.0,-0.7543518518518522,0.0,0.0,-0.5284221466364325,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.501653281683044,4.629739229024944,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.640325963718821,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.909375,0.6173221371882086,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2327954144620812,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.640325963718821,4.757777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,46.833333333333336,3.1222222222222222,0.909375,10.640325963718821,0.15527777777777763,-0.7543518518518522,1.3646932511337864,2.1950888133030992,3.640325963718821,28.32177752582514,2.1950888133030992,3.640325963718821,28.32177752582514,6.49998,0.43333,0.0,0.06667,0.66552,1.00667,0.42766,0.66552,1.00667,0.23786,0.0,-0.23786,0.0,0.43046,0.28383,0.0,0.38462,0.30769,0.0,13.75,0.91667,9.25,0.61667,4.5,0.3,-4.75,-0.31667,0.0,0.0,11.43774,0.76252,22.04183,10.6041,0.70694,3.62925,0.24195,6.91356,3.28432,0.21895,0.50044,0.03336,0.50044,0.03336,0.0,14.06,6,6,6,6,0,0,0.6666666666666666,1.501357928709841,2.2951355152151467,2.968533149628565,3.0635292703928223,3.2535215119213374,3.5385098742141103,43.53937993258539,66.55892994123926,86.08746133922838,88.84234884139185,94.35212384571878,102.6167863522092,0.3090497740142795,0.4724463758744852,0.6110631459048369,0.6306177964601882,0.6697270975708909,0.7283910492369449,3.3566230664177317,2.562845479912426,1.8894478454990078,1.7944517247347505,1.6044594832062353,1.3194711209134624,0.30304772654287476,0.46327100732831444,0.5991957047412098,0.6183705849463179,0.6567203453565343,0.7142449859718591,14.319804461525598,24.671669558899612,26.774051923757433,27.91400537292853,30.573413662955126,30.860632068302472,57.963698263510274,39.74009657813647,36.56966245026758,34.67298766253932,30.24741315784007,29.36994063231533,15.0,8.186851211072664,10.285714285714286,15,3,3,1.79,1.5999000000000003,0.4099138248797977,1.5326188647871062,3.4581544505214588,0.0,0.4999999999999999,3.6144080144393795,0.0,1.6078935375323395,0.0,0.0,0.4099138248797977,2.345974797336829,0.9085602964160698,0.0,0.0,0.0,0.0,0.0,0.0,0.003,1.1199999999999999,1.1100000000000003,1.3809999999999998,0.14500000000000002,5.8069999999999995,17.0,14.0,15.0,16.0,13.0,12.0,4.0,0.0,0.0,120.0,2.8903717578961645,3.1780538303479458,2.8903717578961645,2.995732273553991,3.1354942159291497,2.995732273553991,3.2188758248682006,2.302585092994046,0.0,0.0,5.111987788356544,1.375,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.5714285714285714,11.0,0.7857142857142857,0,4.0,8.0,1.0,4.5,1.1111111111111116,0.625,0.7200000000000004,0.388888888888889,0.4081632653061226,0.125,0.0,0.0,0.0,0.32142857142857145,0.06535947712418304,0.044642857142857144,0.04800000000000003,0.024305555555555563,0.03139717425431712,0.010416666666666666,0.0,0.0,0.0,0.545550302172151,58.77217915715285,81.55879509015347,117.5443583143057,7.836290554287048,58.77217915715285,5.997600218606713E-16,3.998400145737809E-17,-52.57500309337348,6000028.563963279,400001.9042642186,23.410912181762313,78.9,209.05230443456674,4.906890595608519,4.143134726391533,4.8283137373023015,5.616771097666572,6.336825731146441,7.1252830915107115,7.8636512654486515,8.648396877031582,9.397400683117311,10.178274337002176,93.13805154661728,3.367295829986474,0.0,4.574710978503383,0.0,5.8998973535824915,0.0,7.284134806195205,0.0,8.707648248106914,8.988196320995057,218.079038168,7.519966833379311,28.176494001028836,1.8784329334019223,15.908404095282018,15.908404095282018,0.0,424.0,14.0,0.33999999999999997,62.0,1.2499642857142856,2.1331001573232804,2.9059642785582493,3.693343180725412,4.540901014382977,5.336003935837669,6.240888327378535,6.664311862258054,7.438024321767546,9.906556054278788,127.04125425946422,170.79708076224503,178.22195731164905,247.0863606142345,275.7360811080592,269.06451500754406,351.6555928580751,265.7615232916541,55.603469941925304,10.065694970734722,306.45170270782586,369.27974951991837,479.1194784272644,676.5030441313181,676.3223861980522,708.8916117272508,910.5497269173142,896.629963227954,481.94990021619293,307.9328565818867,10.244735413857144,17.91983475216352,25.50251762335281,30.172243765949364,36.461166211997046,43.76079218330982,50.20922284164684,55.14366801831934,55.61263529409504,66.55684021465407,1.940526074943571,2.3386261534916835,3.0931845285381776,4.627212514059546,4.71180586206096,4.908218872174514,6.28153647870939,6.70294219651468,4.750634922532609,4.404582664342339,184.37027067425848,346.3968740012767,486.7307084792781,581.2541814219102,741.7449787093482,906.42626844503,1039.0085446167313,1086.0329772026573,1314.8664270511722,1831.8970852038417,4.869166666666665,10.246822683028242,12.311064358837706,13.197603620994384,19.02846792583404,21.708602873389932,31.94369952089282,39.456329132266966,19.98197512995785,9.906556054278788,0.4887361607142857,0.6512852583845558,0.8568768954457094,1.1691895479747918,1.2416695531858222,1.3379957608504587,1.6551811731406734,1.7702110044209984,1.2070894446795655,1.014431339958148,524.2099462691158,908.0233070433167,34.29866007908486,123.88306124501406,-214.58712822781624,-34.29091241434223,400.3268850241017,1122.610435271133,68.58957249342708,0.8088498721500045,1.4010694399036852,0.05292243502308899,0.19115012784999558,-0.3311054520567988,-0.05291048046617694,339.7368006463716,588.4835559546292,22.22872176435893,80.2877457423383,-139.07241730698564,-22.223700557014666,0.1493697394039976,0.18072615712869156,0.2207814130354023,2.8976910575586903,454.2681454234707,193.8248620906592,0.700930483983916,0.29906951601608417,1323.382787864745,36.37832854688001,10.978975786718623,1459.0012930097723,38.196875435168415,11.341884637237161,2828.495165838147,53.18359865445499,14.14224902464155,2.2385598966662474,2.2385598966662474,1963.936009987939,1735.9206177751794,407.16190574266216,1.1313512783234252,4.823476809319195,4.263465204606667,5.6695726634051375,5.599772339710974,10.881701574480417,0.943239995189173,3.944286587300565,6.460162455776248,6.660262092304598,20.79301818524786,6.991684302199359,7.887664892536355,13.891591203203545,17.864836876245562,11.33251107821224,9.18456349629155,7.748895087706235,5.531438875934448,11.225329386238991,4.132141670134057,1.8050934558098706,4.231337012861529,1.6391850972648156,0.019716371410623927,4.157931820773825,0.0013646955609960922,0.4934643965559379,4.99181445276532E-17,9.73950644404518E-55,3.665146759163578E-114,2.660245358358741E-195,3.724156506391587E-298,0.0,0.0,0.0,0.0,0.3805392215694195,6.717358074924411,1.743148472069857,11.782675988506426,1.2137618050071766,6.2019366212462925,6.9081995255101205,4.049437518451433,4.069494738586388,2.4206579525255933,4.042014329546071,2.917381640230607,5.454557109027261,0.3619609350728262,0.24487105649797997,1.6170634015569627,0.12494099135197582,0.008260907654139345,0.12471955942375454,1.144570947538443E-4,0.0034755100932005994,3.515775734795863E-19,6.859614023893247E-57,2.5813928306559205E-116,1.8736325574641085E-197,2.6229538781234885E-300,0.0,0.0,0.0,0.0,1.0861745717942752,5.8921517313016984,1.5808304889813736,8.749204628669755,1.4029631273391452,5.525827224337675,5.06182749456105,4.456638146840855,4.4288192020244646,2.2394042566761017,4.12564447109185,2.4167841031179846,3.9292508151034555,0.8543084167401671,0.4821725832630361,1.2464541321088998,0.38109843585818515,0.010588613581638007,0.5503594006945354,3.6952912576678073E-4,0.03621749480351707,3.6637093833912566E-18,7.148246691917956E-56,2.6900103559768565E-115,1.952469582707096E-196,2.733320171811665E-299,0.0,0.0,0.0,0.0,3.7384303076927083,6.968460663543104,7.987505051580367,23.97287712714605,8.385601764308687,8.69578306115186,15.774662756760303,18.924381632844057,12.149900496740976,9.12306637851278,7.943843714891693,6.204712270977854,12.425719244197365,4.506220328038105,1.961915782266946,5.087312384366216,1.597005365350371,0.019043656940445835,3.770354985516407,0.0012881114717679465,0.43966789322412325,4.447616807070432E-17,8.677724896026422E-55,3.265579776789436E-114,2.3702307204573668E-195,3.318156399185102E-298,0.0,0.0,0.0,0.0,1.5780761809207253,5.571282559118495,1.6364160173036624,7.839648268248831,1.473291996667388,5.291212596446719,4.570812002736721,5.304753622543193,4.7621927927211,2.597204401971307,4.391365741567213,2.280726176162108,3.6441350778850077,1.096457191118743,0.5979158797303091,1.0770756340436602,0.5551022171155873,0.012181460600768905,0.960610832086165,5.446661717734892E-4,0.07866923833493292,7.958066349855535E-18,1.5526947010945112E-55,5.843061950194043E-115,4.24102483556581E-196,5.937136657531883E-299,0.0,0.0,0.0,0.0,4.763366535585119,6.848076605103233,9.308033723976695,26.960321928782744,10.028657876938954,9.071988988647748,18.47537197955676,24.26568236954659,14.44190459155355,12.359017156319329,9.211190632242374,7.183594307275019,15.152324431613444,5.641775865237862,2.370040331302565,5.923239706859121,2.0908387615429933,0.022339416022189022,5.752670604748868,0.00164830350515709,0.7196714458166931,7.280092240784488E-17,1.4204154814505333E-54,5.3452720919828634E-114,3.8797178411232325E-195,5.431332262486055E-298,0.0,0.0,0.0,0.0,2.593601564850425,7.6965281001776615,11.08245544288209,39.77045233488952,13.911315129602972,13.859477519108195,19.788572740962152,23.053911430727254,15.316841362063343,10.14993598350456,8.836449996356455,12.03047064386654,19.265011225859315,5.992419752076284,1.594070476613318,10.921919051070915,1.3229942403172383,0.018710701651262304,1.8601492432519102,9.400000523094452E-4,0.17000734645050983,1.7197697240387142E-17,3.355434876043922E-55,1.2627088787477547E-114,9.165022997370144E-196,1.2830387963891624E-298,0.0,0.0,0.0,0.0,9.234884394052088,2.2607677244257047,0.6715730843907028,0.7589967507032671,0.18580799539181006,0.46018687243313994,0.31989003418238954,0.4159194586158946,12.167225202868496,28.598099127164243,54.78637922009388,0.6384951260549008,1.195996365231424,7.5494971272601825,1.4958061502257758,0.42419849313971836,0.7972433302329238,0.15796038550473218,0.30733970694239143,0.15008399773764514,0.13412729107858323,9.469501770625676,15.129588254368906,29.389387240739403,0.6958649953493857,0.5915509957586198,8.33604977237982,1.8152911836598036,0.4761267067506394,0.7843872159278981,0.17081126391150037,0.37487440511741693,0.20768419799624763,0.20380062587426806,10.627467662790263,19.96568219685243,37.798069476885885,0.676580823891847,0.7863592289879326,9.00415636743983,2.1606702769217545,0.6654369859675064,0.7611120638390503,0.18263923310909763,0.4374284120073546,0.29371757591908226,0.4009610166725334,11.83026363032909,26.884501622956677,51.66085048718055,0.6416680957585755,1.1321070045989703,8.778312049695554,2.0147676283931157,0.5106487282527992,0.7765855418793378,0.17823921063627263,0.41579094277928214,0.25361730859583964,0.241722110826979,11.30372840634147,23.197731361206934,43.53292540774188,0.6648783128190069,0.9111303622021009,9.303316133303849,2.299339692052984,0.7010882163768892,0.7561370020172263,0.18688130086693383,0.46703197063307467,0.33110599742240376,0.45235387312257974,12.303744041733722,29.52596933085678,56.827030772978674,0.6342055030258397,1.2504918411780581,9.143405262402167,2.1994683729425377,0.6795349833248887,0.7605302358633341,0.182947397872252,0.4511151553845252,0.3047209975056232,0.4172327959950636,12.022408618669594,27.818510142300216,53.50679585539129,0.6407953537950012,1.173068948885212 +UMLCN0391,L,hexadecyl acetate,CCCCCCCCCCCCCCCCOC(=O)C,Esters,,C18H36O2,BioCompoundML (2016),Unknown,PubChem,,86,0,-4.0503,16.40493009,63.089400000000005,57.288547999999956,0,0,56,20,36,0,18,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3145.268483999997,3320.573071000002,3824.866743000003,3454.6198889999982,3253.8906319999987,3063.2302869999976,2866.473557999998,2669.7168289999977,2472.9600999999984,9175.10058493016,11814.977123555414,15637.262151445453,16310.974095973643,15549.804310369243,14729.508431999699,13722.71008704457,12715.91174208944,11709.113397134312,404.29742399999975,406.98466000000025,772.1196360000013,1045.4299080000033,980.2484960000029,957.6743800000029,894.7894800000026,831.9045800000022,769.0196800000017,67.492672574564,88.72801515999993,128.1679668138288,142.05543827863806,136.46255902524192,130.1087075949397,121.08717873554366,112.0656498761477,103.04412101675175,9310.236454097965,8001.151400349403,16600.878911924614,24189.200952313662,22735.121429054976,22365.67218616188,20886.7170311233,19407.76187608472,17928.80672104614,141.77777777777777,117.58333333333333,210.99999999999997,241.58333333333331,220.33333333333331,214.08333333333331,201.83333333333334,189.58333333333334,177.33333333333334,56.16550864285709,60.374055836363674,36.08364851886795,23.661780061643825,23.578917623188396,22.6905947185185,22.749790142857126,22.818092555555534,22.89777870370369,163.84108187375287,214.8177658828257,147.5213410513722,111.71900065735372,112.67974137948727,109.10746986666443,108.91039751622675,108.68300634264479,108.41771664013251,7.219596857142853,7.399721090909096,7.284147509433974,7.16047882191783,7.103249971014514,7.093884296296317,7.10150380952383,7.110295555555574,7.120552592592609,1.2052262959743572,1.613236639272726,1.2091317623946114,0.9729824539632744,0.9888591233713182,0.9637682044069606,0.9610093550439973,0.9578260673175018,0.9541122316365902,166.25422239460653,145.4754800063528,156.61206520683598,165.67945857749083,164.74725673228244,165.67164582342133,165.76759548510555,165.87830663320275,166.00746963931613,2.5317460317460316,2.1378787878787877,1.9905660377358487,1.6546803652968036,1.5966183574879225,1.5858024691358024,1.6018518518518519,1.6203703703703705,1.6419753086419755,0.3144140627745838,-0.15944310374586357,0.05674354984399135,-0.05147906989603909,-0.013410201422924688,0.00691105982838724,6.193275266539906E-4,2.250490185600265E-5,3.415004477598949E-7,1700.069443714286,-20.397227719384354,-480.17084531632213,-120.87952732652892,-85.6169690102025,12.401736403061939,10.929847500000513,9.4579585969392,7.986069693877916,2734.480695057914,-154.9682105076265,-1141.3438796251612,21.087321373112207,-150.73874653462622,8.140890814631028,7.944749542088083,7.748608269545137,7.552466997002192,2.254525714285717,0.056015102040809284,0.8285140408163199,-0.3548911836734687,-0.05489665306121902,-0.020759918367340674,-0.032485714285709,-0.04421151020407739,-0.05593730612244577,12.153614781201446,-1.043563710881444,-5.282500874822388,0.685552584659635,-0.6724678439273681,-0.030217888873797158,-0.030673385082212498,-0.031128881290626062,-0.0315843774990414,66.83411720795125,-6.2619628486299215,-28.562571079592953,4.611333323591882,-3.6690363348898853,-0.29374897769958563,-0.3010773404767444,-0.3084057032539067,-0.3157340660310619,42.22222222222233,0.6944444444444404,15.22222222222221,-4.19444444444444,-0.9999999999999867,-0.5833333333333219,-0.8333333333333237,-1.0833333333333237,-1.3333333333333246,0.005614536835260425,-0.0028989655226520647,5.353165079621826E-4,-3.525963691509527E-4,-9.717537262988905E-5,5.119303576583141E-5,4.915297830587227E-6,1.9234958851284318E-7,3.16204118296199E-9,30.358382923469396,-0.3708586858069883,-4.529913635059643,-0.827941967989924,-0.6204128189145108,0.0918647140967551,0.0867448214285755,0.0808372529652923,0.07394508975812884,48.83001241174846,-2.817603827411391,-10.767395090803408,0.14443370803501512,-1.0923097574972913,0.0603028949231928,0.06305356779434987,0.06622742110722339,0.06993024997224252,0.040259387755102086,0.001018456400741987,0.007816170196380376,-0.0024307615320100597,-3.9780183377694943E-4,-1.537771730914124E-4,-2.578231292516587E-4,-3.7787615559040506E-4,-5.179380196522756E-4,0.21702883537859724,-0.01897388565238989,-0.04983491391341875,0.004695565648353665,-0.00487295539077803,-2.2383621387997896E-4,-2.4343956414454363E-4,-2.660588144497954E-4,-2.924479398059389E-4,1.1934663787134152,-0.11385386997508948,-0.269458217732009,0.03158447481912248,-0.026587219818042646,-0.002175918353330264,-0.002389502702196384,-0.002635946181657322,-0.0029234635743616844,0.7539682539682558,0.012626262626262553,0.14360587002096425,-0.028729071537290686,-0.007246376811594107,-0.004320987654320903,-0.006613756613756537,-0.009259259259259177,-0.012345679012345599,-0.5163320871716391,0.09534473166161933,-0.06280061552656958,-0.01730781638471193,0.009117944590607868,8.754591829762634E-4,3.425920857885354E-5,5.631882514517909E-7,-0.012216022399542422,-0.14921458914590824,-0.027272268423423184,-0.02043629334535086,0.003026008148337062,0.0028573597496036256,0.0026627654433727696,0.002435738752770113,-0.057702295949723696,-0.22050772791146744,0.00295788800578442,-0.022369639153204116,0.0012349555518172256,0.001291287154765892,0.001356285158168199,0.001432116162137558,0.025297364354799897,0.1941452821867573,-0.0603775086396342,-0.009880970773742974,-0.0038196600014595147,-0.006404049927932267,-0.009386038304631613,-0.012865024744114176,-0.08742564378272953,-0.22962346835840472,0.021635676384488066,-0.022453032023497587,-0.0010313662398340135,-0.0011216922567910113,-0.001225914584049016,-0.0013475072991834304,-0.09539763499481789,-0.2257778036633854,0.026464486459326392,-0.022277309434308733,-0.0018231919994897176,-0.0020021533449248266,-0.0022086472050422854,-0.002449556708512599,0.01674641148325345,0.19046673286991,-0.03810382119682755,-0.009610983981693213,-0.005730994152046657,-0.00877192982456128,-0.012280701754385826,-0.016374269005847805,1.5958355405029712,0.9415000005606784,0.9507495592374385,0.7147508520451598,0.6961519940002034,0.730541245617808,0.7685298951320607,0.8119934522639601,1.2958555229290067,1.2582639292552462,0.9940969637784584,0.9605487916348406,0.9238694096093775,0.9276905345152688,0.9320995247912974,0.9372433467799974,1.500821147198537,1.392613296729622,0.9656545469381694,1.0137158013507912,0.9691598252933353,0.9665108908158041,0.9634544279571147,0.9598885546219768,0.7378864607570284,0.7188470046424967,1.0084750556619022,0.6702774209156392,0.67660120492265,0.7157463590695022,0.7609138446235625,0.8136092444366329,1.583543124721241,1.423964637516105,0.9458731243212828,1.0160091052838716,0.9711133804955888,0.9681853667034498,0.9648068892509816,0.9608653322231023,1.597131980567743,1.4228982515780215,0.9403669220865185,1.0111767340811695,0.9669969161377319,0.9646569686824299,0.9619570293109275,0.9588071000441748,0.5881578947368407,0.4569109980139015,0.8505767844268183,0.6497425629290601,0.6593567251461971,0.7012844611528803,0.7496626180836689,0.8061038011695886,263.3851006243965,131.94255031219814,211.4657737532628,263.8351006243962,13.191755031219813,131.94255031219814,0.4999999999997726,0.08985232426809875,0.0044926162134049374,-4.819175595544385,179.84338980140487,8.992169490070243,10.384172831024733,263.40650673623026,131.9525189472138,211.47872234359602,263.85518477860785,13.192759238930392,131.9525189472138,0.49853115819735194,0.08971638994087883,0.004485819497043941,-4.822203614178583,179.79911482005113,8.989955741002557,10.383680397777734,282.63165544887215,140.91683324637788,223.40087619045312,281.91346538836734,14.095673269418372,140.91683324637788,-0.7979889561163986,0.03237005551069566,0.001618502775534783,-6.861042992329051,175.97668816662414,8.798834408331206,10.340703065333345,263.42897357374534,131.96298158709146,211.492313326515,263.87626421413916,13.193813210706958,131.96298158709146,0.4969896004375869,0.08957371967178945,0.0044786859835894725,-4.82538661851745,179.75280129960922,8.98764006498046,10.383165161800711,303.48714085045475,150.6612761608882,237.02767877369956,301.5390111746442,15.076950558732214,150.6612761608882,-2.164588528678337,0.16383231959376354,0.008191615979688177,-3.617823631418496,256.78174080505187,12.839087040252593,11.096452933007635,265.630500711579,132.98838454166776,212.8278732598539,265.94214224615985,13.297107112307994,132.98838454166776,0.3462683717565369,0.07559303752430813,0.0037796518762154064,-5.164782192554158,175.91210057563964,8.795605028781981,10.339968883469346,273.5677477903317,136.91444415286486,221.91892718596026,274.392007049591,13.719600352479544,136.91444415286486,1.1775132275131455,0.15647684998251765,0.007823842499125882,-3.709694406756143,239.2971525572976,11.96485762786488,10.955412191586754,0,11.89,15.995923695984803,-0.315900711987212,0.30165280323448923,3.721733802380503,7.625153781126586,19.0,55.0,54.0,54.0,18.0,1.0,1.0,0.0,0.0,1.0,42.22945199999999,3.5563759729812556,3.5081847343306194,3.4277320086531695,3.308766312857297,3.1502224901931886,2.9571227697972486,2.7376959086696284,2.502696828918468,1.9531412462590374,1.8960875489371822,1.8050532393811618,1.6878560744560633,1.5790342634563188,1.510891002305821,1.3722806258855171,1.2174208913115119,3.5760142495066587,3.5040702253165237,3.3931759195241944,3.2731333985633255,3.158078899415425,2.9847615946108017,2.7698232565692025,2.537069042170867,1.895680876929543,1.839286510982988,1.751143784182274,1.6472077171250021,1.5552147165894403,1.4384996320860015,1.2867707550819132,1.1250684773719186,3.6999292034100817,3.6417127002102667,3.5567665620959534,3.4568884940477616,3.328667311583037,3.1642906731888614,2.9751086639575943,2.7750116932777154,1.7211700252076785,1.653971694626014,1.5475513661427962,1.4173398527877792,1.313195429609674,1.1880006012135633,1.0054581567560166,0.806924169683903,3.595905916986738,3.522726817552439,3.407134214722214,3.27028303772321,3.163080536334586,3.0100161930513334,2.800279683312003,2.5713388904523247,1.859674699290507,1.8061668713325572,1.7252742615924705,1.6320184359621943,1.526075361643443,1.3902616069117395,1.2315988974009124,1.0649214255656252,3.7570695907826255,3.696038998272159,3.6030536613239925,3.499665510026598,3.391565251362174,3.244235539414255,3.0669009990125797,2.8786743754143536,1.6667968484311313,1.5983568352187265,1.4914057616693386,1.3686896347349584,1.2635232634944678,1.1129861331076127,0.9179675429648766,0.7075848774433264,5.149462736852996,3.61382497600826,3.565949532565342,3.4769335431510857,3.346306531510954,3.1805309627140095,3.001170934061049,2.876794332615837,1.8219005264115495,1.7506907888024446,1.6373325255996525,1.4896375758381737,1.3186654021956439,1.153830132230271,1.089499344299879,0.9302129970703663,0,0,1,0,0,3,14,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.08333333333333333,0.0,0.0,0.0,0.2886751345948129,0.20412414523193154,0.14433756729740646,0.05892556509887897,0.041666666666666664,0.029462782549439483,14.891058768174391,9.770055610029663,7.132269453018,4.385027805014831,2.923906201320913,1.9425139025074156,1.2851764053638195,0.8462569512537077,0.7445529384087195,0.514213453159456,0.37538260279042107,0.25794281205969594,0.18274413758255706,0.12950092683382772,0.09179831466884425,0.06509668855797751,13.923098298725943,8.904030206245224,5.936237414039095,3.803216162902932,2.5125032438103077,1.6516080814514658,1.0794749266085168,0.7008040407257328,0.6961549149362971,0.46863316874974864,0.31243354810732077,0.22371859781781953,0.15703145273814423,0.11010720543009772,0.07710535190060834,0.053908003132748676,29.182498676979392,54.64238892935186,51.756862745097976,52.48000000000005,33.33445988023957,430.81763353293417,0.5211160478032034,0.9757569451669975,0.9242296918767495,0.9371428571428579,0.5952582121471351,7.693172027373825,6.030800000000007,86.94500000000006,136.49642129976056,217.1611856215964,272.99284259952117,13.649642129976055,136.49642129976056,0.028600361469098723,0.001430018073454936,-7.108671844913046,170.27343308966326,8.513671654483163,10.274811149702758,521,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,15.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.465423956056817,-0.1530610164081212,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.163720197262467,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.750163482336526,0.0,19.604140244681442,0.0,0.0,0.0,0.0,0.0,0.0,-0.1530610164081212,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.555429466637047,4.909994489419771,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.909994489419771,-0.1530610164081212,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2076944164288447,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4760021359608206,0.0,0.6045283564814815,0.0,0.0,0.0,0.0,0.0,0.0,-0.1530610164081212,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.555429466637047,4.909994489419771,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.555429466637047,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2741613463757053,0.0,1.4406486736706516,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.555429466637047,4.909994489419771,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,38.66666666666667,1.9333333333333336,0.5559027777777779,10.555429466637047,0.14135992560922284,-0.1530610164081212,11.09084782561938,1.819727683074788,3.5554294666370483,10.479170604865049,1.819727683074788,3.5554294666370483,10.479170604865049,9.66666,0.48333,0.0,0.01667,0.47024,0.77667,0.42903,0.47024,0.77667,0.04121,0.0,-0.04121,0.0,0.62232,0.09197,0.0,0.13793,0.05172,0.0,11.75,0.5875,10.25,0.5125,1.5,0.075,-8.75,-0.4375,0.0,0.0,24.46353,1.22318,28.06635,3.60283,0.18014,8.65409,0.4327,9.77005,1.11596,0.0558,0.14395,0.0072,0.14395,0.0072,0.0,19.02,2,2,2,2,0,0,0.9444444444444444,1.1077843849525173,1.531992976330288,2.4299395143684306,2.9364949940128127,3.3152481831913363,3.56582300356956,62.03592555734097,85.79160667449612,136.0766128046321,164.44371966471752,185.65389825871483,199.68608819989538,0.19075541271722687,0.2638021951287054,0.418424488770092,0.5056510293282338,0.5708705990397278,0.6140184389326342,4.699570537105087,4.275361945727317,3.377415407689174,2.870859928044792,2.4921067388662683,2.2415319184880445,0.19075541271722687,0.2638021951287054,0.418424488770092,0.5056510293282338,0.5708705990397278,0.6140184389326342,9.474970853405472,14.708149472081578,17.631642824437648,19.673267872323258,21.32387309997418,21.897433580563092,74.34121964820336,60.90006024999504,55.38146412953523,49.042936209233304,43.55510139989164,41.06265826506208,20.0,17.05263157894737,19.058823529411764,20,3,16,3.2199999999999998,2.7191999999999994,0.055555555555555566,3.964940280127596,0.48507125007266605,0.0,25.332009090222645,1.9411091322536822,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,9.346,19.0,17.0,16.0,15.0,14.0,13.0,12.0,11.0,10.0,166.0,3.044522437723423,3.091042453358316,2.9444389791664403,2.8903717578961645,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,5.181783550292085,1.0662650602409638,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.0,0.8421052631578947,18.0,0.9473684210526315,2,9.0,18.0,1.0,1.5,0.44444444444444464,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.07894736842105263,0.023391812865497085,0.014705882352941176,0.010000000000000002,0.0074074074074074086,0.0058309037900874635,0.004807692307692308,0.004115226337448559,0.0036363636363636372,0.003305785123966942,0.17877229068511244,136.49642129976056,217.1611856215964,272.99284259952117,13.649642129976055,136.49642129976056,0.028600361469098723,0.001430018073454936,-7.108671844913046,170.27343308966326,8.513671654483163,10.274811149702758,26.3,334.8281766667237,5.321928094887363,4.343805421853684,5.003946305945459,5.6937321388027,6.364750756851911,7.057036981697891,7.732369222284388,8.4252971767117,9.10286651367095,9.795958019593462,102.51976253741213,3.6635616461296463,0.0,4.74493212836325,0.0,5.942799375126701,0.0,7.193685818395112,0.0,8.47407690034261,8.805525052709516,284.2715303920008,5.076277328428586,38.66155413230578,1.933077706615289,5.261729889378073,5.261729889378073,0.0,1313.0,17.0,8.419,76.0,1.243090909090909,2.1439307817023057,2.8713538327271935,3.631704029947534,4.928391792252187,5.949528504226152,7.268213303025243,8.37687267984894,9.678830785780686,10.826428345028976,86.49415697072726,85.54944726366378,81.45235516039534,108.86404457398142,132.09958924895466,160.0241196686551,188.38185097401416,216.9722989862964,245.97474388781058,275.3668419081015,292.85042625695394,337.28689972573517,353.97759712656745,481.1236724031072,594.6214749412503,723.1075496129756,854.4460139459457,983.6552683451018,1113.527326112627,1240.7603147696784,9.244450539490916,15.681523211572035,20.617046988568074,25.992943310779314,35.100735847052626,42.46026668735575,51.845522547813935,59.859077204339926,69.21512746164558,77.5901571671014,2.1422923333287263,2.714791955866792,2.980883471089086,4.05088509558393,5.096272766537332,6.1942854447903395,7.359063460874446,8.46843129568052,9.607188033656278,10.692147279493982,178.70297182834105,332.4797451224917,471.91975143951976,583.5701630148736,806.8036026489864,971.1024385434719,1193.9978318019814,1375.5837345426398,1595.811749356297,1786.1242394235235,2.7322424242424237,4.405985975706629,4.848362748816748,6.0575972898022235,8.010427937304097,9.811746233093137,12.004938016841775,14.03646902341803,16.381267271611122,18.66442546633336,0.4583724545454543,0.5960092410641991,0.6570841047147097,0.8821072543513734,1.1163848319110288,1.3593949906682559,1.6215513283716845,1.8713786957562328,2.1322057500508707,2.3829051707412536,804.9309175463724,1101.540628726328,29.499913631765665,215.66096815959457,-295.1300705188313,-23.159148284420453,589.2699493867779,1396.670699245159,52.65906191618612,0.7886902970912637,1.0793154875656947,0.028904711123937544,0.211309702908736,-0.2891754036577343,-0.02269187969136236,821.5059630016866,1124.22342745354,30.10737248160689,220.10183416717516,-301.20735519934914,-23.636038818940786,0.18876099747872987,0.2307819853718424,5.651337435528185,2.011157131353601,942.2671784694536,78.32470723651349,0.9232556045824971,0.07674439541750272,1330.9634203830642,36.482371364579144,10.999899228782246,1679.6967193274197,40.98410325147324,11.88712851460004,2337.8878748958937,48.35171015482176,13.272148313291593,4.444409658778745,4.444409658778745,13944.981244578425,13851.429164876246,150.2322729829575,1.0067539658607505,92.82280676243484,92.20009049884752,8.241998054016696,11.837186512466078,23.32274077049701,0.9702942710191453,10.05364598126755,15.675236073170593,6.914203579191029,73.62720994691465,29.035707974707645,1.4670341868007677,14.312175914552,8.515808253994031,52.129339353172625,2.0662417594195857,3.4489612512290235,50.95628679577238,4.9603360201232825,56.83379885822297,3.2170034643481555,5.560733710921135,27.893415501552823,2.8205019337543282,50.559714497944285,2.979788842781714,6.263664334096422,19.12251404250698,3.331307646919851,38.44774179635111,3.451607148335344,7.677858732971232,12.89162966133863,3.1692512501289793,23.54463169410195,4.38259995801671,0.8602403612018835,15.825695940563584,0.5712542685415595,17.21077740341214,0.4117451677571049,1.3256360696747704,3.175919034830907,0.4923090181751474,13.291192646228446,0.040858866594082534,2.1198052195267265,3.5225017917858286,0.29942734954022193,11.500646731485935,0.07236249407728293,2.2708152070414465,1.0777651572428002,0.341154928401259,8.780317654522628,0.10528976977788616,2.740567603641601,0.41334020417731865,0.4547228574694475,5.8884451449925255,0.15411525243525842,3.2710321658053507,0.2722145110807016,0.6052353339389689,3.3299443645716806,0.2078864317446478,2.7295433122960313,15.544648141930386,1.5811361763807905,20.156770113478785,2.3745881093220103,1.3334071338640427,4.674557122214056,1.3370546818394287,18.080273485581856,0.21923605946152164,2.179007763344799,11.493618073494781,0.7200493007251824,18.373460335420397,0.3638112855542421,2.509095560401476,4.214053258313386,0.5673400566214586,15.228375582402268,0.43528995494491923,3.0166079124358696,2.1115892630675166,0.7046240968999811,10.74235573559389,0.5868228952390963,3.4091810407338907,1.4107303918294853,0.8510270253069834,6.247903018350606,0.7764530706758295,9.49493680137887,15.825744713009144,6.990948869132807,68.58644882878174,26.58155719315981,1.4666370997429647,14.538000842996102,8.173416855833224,49.39929101783506,1.8590975566216372,3.347628416062296,47.968179414509684,4.488034966071105,53.62225772150856,2.9005169209146175,5.362223236422031,25.588967263184696,2.573741826096591,47.475285561044785,2.7129857128458346,6.280806625286409,17.23049241993377,3.047995586279268,35.93004121252313,3.164698309663974,7.843575423428113,11.61065255388598,2.9419846399779357,21.937475950816285,4.026705284225873,4.015262886454126,15.437890548213229,2.218571917494543,24.66874970610777,4.703977571660909,1.3436455592094503,5.783654531489448,2.043557164924408,22.13161029257387,0.4114766218069389,2.2854621368242944,17.34220927788192,1.1662578590735573,23.70620213479765,0.667934477469822,2.8090121824596967,7.01943124693751,0.8051055865134482,20.225780097556477,0.7380580449840621,3.3539227961278555,3.906155989625319,0.9745714818398638,14.582656521389792,0.955237148311135,3.747042095799244,2.619054635089276,1.0982863865309158,8.597406188773668,1.250957429821078,12.141256551041895,15.770940194304226,8.97636307115137,99.8660199921058,42.3370796602702,1.5258237947569462,17.70108451606076,11.80227450955854,66.3769923161425,2.9276160315670867,4.04172045791257,64.76711202161559,6.925068189749159,71.23315179989599,4.529573708816019,6.846848037126824,38.01430722338902,3.8604801899618613,63.61070669864293,4.070769520981882,7.333915857731282,26.9937911098752,4.5569381003186145,48.903461388546305,4.6104565503404755,9.162860600185766,18.212148976620064,4.216437049738025,30.197746412190902,5.814225504806782,6.555286107327256,15.708319919885186,5.49159669344048,49.243096839560366,14.017105082215833,1.615624070716399,14.366492132732478,7.084850790833781,33.63517873143422,0.9137001612508133,3.055244679606922,32.46691891943284,2.377702362034575,35.71520923758493,1.445805998617471,4.6611056501572365,14.826906290557227,1.534463894724802,30.997271590277812,1.4408229248735067,6.851421201746394,8.587144682989399,1.9113378613216063,23.007079879634045,1.7543631280197096,9.402853885259601,5.75077263419666,2.131095515924941,13.983153063842371,2.2599700649865357,46.911863685830056,0.8366627503741491,0.5021438625000002,0.9722530981520873,0.017339919739863555,0.5379090108343181,0.6465314253443267,0.6071330385125957,48.2506702987042,63.22603838992269,131.1855584727893,0.9583796472281308,1.7915734746912404,49.671405543243594,0.43179624086658963,0.09963659379929996,0.9894142870834224,0.0086010324280109,0.6033795949963996,0.16775706448436845,0.023903709012423047,50.20283837790949,26.440038556340216,78.77987524409257,0.9841214306251337,0.795040368493191,46.935478793125604,0.5633566211957675,0.26105078451324043,0.9827384972762117,0.011795602251864535,0.5385008597841039,0.2929925818907815,0.16408827683264376,47.75988619883461,38.84102099547472,93.50345873557839,0.9741077459143175,0.9955817185075291,47.51416722450601,0.8309640326925258,0.48575912994241804,0.9730350367933965,0.01701717961938598,0.5518299692477161,0.6381413828880378,0.5681584797831395,48.830890387140954,62.96665290335132,130.9765592303811,0.9595525551900947,1.7581298319188932,46.13246047137741,0.6325433624562695,0.33681957539912627,0.9794198426368058,0.013429275486016103,0.5201890138094716,0.3696798301489976,0.2731632033542612,47.1018234092328,44.93215039979637,101.86263229923088,0.9691297639552087,1.1630320473127305,47.09576678831044,0.873877714628124,0.5314904055716946,0.9710240157709542,0.018017675592056897,0.542134806043842,0.7053337103971523,0.680171463271906,48.50113490851026,66.65134686162466,137.02646957028637,0.9565360236564313,1.9276399797129005,47.624018246240354,0.8381947801231613,0.4885212709024106,0.9728969121695142,0.017123232003691872,0.554395122544497,0.6491813276034092,0.5746382163966901,48.950734297265925,63.593025400871326,132.04465120531415,0.9593453682542713,1.7782146665445961 +UMLCN0392,L,hexadecyl laurate,CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC,Esters,,C28H56O2,BioCompoundML (2016),Unknown,PubChem,,88,0,-6.566099999999995,43.113669209999934,94.31730000000002,88.22440799999991,0,0,86,30,56,0,28,0,2,0,0,0.0,0.0,0.0,0.0,0.0,4608.230974000022,5005.356041000001,5761.9521130000085,5619.922092000035,5451.355091000033,5254.598362000032,5057.841633000031,4861.08490400003,4664.32817500003,14031.94449104208,18344.878468459094,24772.733268068758,26344.303259167467,25377.197197739562,24370.39885278444,23363.60050782932,22356.8021628742,21350.003817919085,614.0718639999999,624.7424600000002,1199.4147160000002,1674.1831200000033,1603.3667000000032,1540.4818000000032,1477.596900000003,1414.7120000000027,1351.8271000000027,104.27393067154368,138.88790135999992,205.0448682623196,230.86665240029726,221.13620789350514,212.1146790341091,203.09315017471297,194.0716213153169,185.0500924559208,14276.533055482943,12331.54591550739,25842.900901583056,39004.98900638281,37156.731796639535,35677.77664160095,34198.82148656235,32719.866331523754,31240.91117648516,184.27777777777777,170.0,300.0833333333333,369.16666666666663,366.91666666666663,354.66666666666663,342.41666666666663,330.16666666666663,317.91666666666663,53.584081093023514,58.88654165882354,34.71055489759041,23.81322920338998,24.228244848889037,24.326844268518666,24.434017550724786,24.55093385858601,24.67898505291021,163.16214524467534,215.82209962893052,149.23333294017323,111.62840364054011,112.78754310106473,112.82592061474278,112.86763530352329,112.91314223673838,112.96298316359304,7.140370511627906,7.349911294117649,7.225389855421688,7.093996271186454,7.126074222222236,7.1318601851852,7.138149275362333,7.145010101010115,7.152524338624353,1.2124875659481824,1.633975310117646,1.2352100497730096,0.9782485271199036,0.9828275906378007,0.9820124029356903,0.9811263293464395,0.9801597036127115,0.9791010182852953,166.0061983195691,145.07701077067517,155.68012591315093,165.27537714568987,165.14103020728683,165.17489185926365,165.21169800271667,165.25185015921087,165.29582633060932,2.142764857881137,2.0,1.807730923694779,1.5642655367231637,1.6307407407407406,1.641975308641975,1.6541867954911431,1.6675084175084174,1.6820987654320985,0.35924240791584205,-0.16286696685806168,0.005500612549884016,-0.009279041436268835,-0.01720012372873044,0.0010971773849961148,2.7788218405761043E-4,1.486880307397919E-5,-5.6589325385046066E-5,2510.3709680000047,-21.810047999993635,-891.8192969999924,135.00454400000194,-14.384319999996961,-15.008419999998097,-15.63251999999855,-16.256619999998776,-16.88071999999923,4235.755850980731,-156.28815325418714,-1897.751243723087,145.3802996448559,0.19562733435237334,0.11246088888197647,0.029294443411579607,-0.05387200205881726,-0.13703844752966887,2.438083720930225,0.0656130665224028,0.7753350502974216,0.02160876581937118,-0.15351857220119625,-0.15849046187129068,-0.163462351541385,-0.16843424121147932,-0.17340613088157364,18.864098687468804,-1.0380609665124685,-8.614013796179945,0.29132452978454293,-0.015539352275304813,-0.015732488580010445,-0.01592562488471963,-0.016118761189428815,-0.016311897494138,103.29610832146854,-6.20699203888062,-46.557229207001626,0.9435455828053025,-0.1873606576336082,-0.1904679785731711,-0.1935752995127411,-0.1966826204523182,-0.19978994139188821,44.43152454780375,0.8984285800132233,10.634111531758917,0.5664623520221146,-2.993329727780764,-3.099332972778061,-3.2053362177753573,-3.311339462772655,-3.4173427077699543,0.004177237301347001,-0.0019160819630360197,3.313622018002419E-5,-3.931797218757981E-5,-7.644499434991307E-5,5.0795249305375684E-6,1.342426009940147E-6,7.509496502009692E-8,-2.9941442002669874E-7,29.190360093023312,-0.2565887999999251,-5.372405403614412,0.5720531525423811,-0.0639303111110976,-0.06948342592591711,-0.07551942028984807,-0.08210414141413523,-0.08931597883597475,49.252975011403855,-1.8386841559316134,-11.432236407970404,0.6160182188341352,8.694548193438815E-4,5.206522633424837E-4,1.4151905029748604E-4,-2.72080818478875E-4,-7.250711509506289E-4,0.028349810708490988,7.71918429675327E-4,0.004670693074080853,9.156256703123382E-5,-6.8230476533865E-4,-7.337521382930124E-4,-7.896731958521014E-4,-8.506779859165622E-4,-9.174927559871621E-4,0.21934998473800935,-0.012212481958970218,-0.051891649374577985,0.0012344259736633174,-6.90637878902436E-5,-7.283559527782614E-5,-7.693538591651995E-5,-8.140788479509502E-5,-8.630633594782011E-5,1.2011175386217272,-0.0730234357515367,-0.2804652361867568,0.003998074503412299,-8.327140339271476E-4,-8.817961970980144E-4,-9.351463744576865E-4,-9.93346567941001E-4,-0.0010570896369941176,0.5166456342767878,0.010569748000155569,0.06406091284192118,0.0024002642034835365,-0.013303687679025617,-0.014348763762861394,-0.015484716027900277,-0.016723936680669977,-0.018081178347989176,-0.4586959812932236,0.007932568295638607,-0.009412434427630257,-0.018300371474051152,0.00121600104664861,3.213669497558268E-4,1.797718434523259E-5,-7.167761810662491E-5,-0.008790189609933984,-0.1840472466421698,0.019597331129844662,-0.0021901172478642145,-0.0023803552167389708,-0.0025871356176896806,-0.0028127142369085974,-0.003059776534148404,-0.03733143339069145,-0.23211260650394064,0.012507228623073116,1.7652838618227043E-5,1.0570981006161227E-5,2.873309688698383E-6,-5.524149930351992E-6,-1.4721367608408398E-5,0.02722834510652064,0.16475217849274543,0.0032297417422900154,-0.024067348186360003,-0.025882082453314158,-0.027854619700003434,-0.03000647851457356,-0.03236327626386464,-0.05567578212306125,-0.23657010706682813,0.0056276547050491494,-3.1485658853695883E-4,-3.3205197331023594E-4,-3.507426089334414E-4,-3.7113239324966556E-4,-3.9346406178648256E-4,-0.06079624466672139,-0.23350357243853787,0.0033286288600864636,-6.932827197600331E-4,-7.341464667228725E-4,-7.785635829868569E-4,-8.270186189112336E-4,-8.8008842016171E-4,0.020458409592391775,0.12399391109071325,0.004645861774954279,-0.025750121159251484,-0.027772931407708725,-0.02997163819951006,-0.03237022742692972,-0.03499725372362745,1.5972498103170039,1.038223025751894,0.9794930806764265,1.0941724377258475,1.1079441434119985,1.142523432914141,1.179560095320545,1.2198842847899998,1.3598406416879805,1.3348039093791455,0.9524046543835506,0.996347897313813,0.999906475673267,1.003774495629195,1.0079941537629347,1.0126156840998874,1.5003793447324938,1.431514169968663,0.9651400161168793,0.9796098764475991,0.978596495403781,0.9774949942691964,0.9762933566678313,0.9749772773901458,0.7796057139804816,0.7556068049621888,0.9150980926367117,1.1272446009616606,1.1665573715212194,1.2092886438685662,1.255904577338399,1.3069601235196446,1.5537458990946789,1.4517315431843976,0.971377244581389,0.9789230229166616,0.9777220291028184,0.9764166010442931,0.97499249770772,0.9734327654819496,1.5626148505807227,1.450535603889367,0.9728005600761539,0.9803735743108345,0.9795687959241033,0.9786940368080915,0.9777397541360788,0.9766945874000648,0.6170543762721705,0.5355660793800368,0.7876495187308074,1.1279945720655196,1.1705659752512003,1.2168392395834615,1.2673191643095647,1.3226067009143447,582.7129667723837,291.60648338619126,457.7302718111663,583.1796334390492,19.43932111463498,291.60648338619126,0.49999999999886313,0.06617540405553357,0.002205846801851119,-8.146339275071593,345.95218709860364,11.531739569953455,17.538901733797953,582.7576101975599,291.6280706778783,457.7684255862871,583.22290594521,19.440763531507006,291.6280706778783,0.49853115819672666,0.06612270006743176,0.0022040900022477256,-8.148729512992501,346.07177441299854,11.535725813766618,17.53993858213474,622.2742464892575,310.7381287665705,491.8878656335672,621.5294567968822,20.71764855989607,310.7381287665705,-0.7979889561164555,0.024136228476397126,8.045409492132375E-4,-11.172123932886441,337.01821444853266,11.233940481617756,17.46041093310144,582.8044640471337,291.65072682378593,457.80846949789145,583.2683210075427,19.44227736691809,291.65072682378593,0.4969896004380985,0.06606740054502513,0.0022022466848341713,-8.151239513002016,346.1980663866115,11.539935546220384,17.541033172430936,664.1406736502562,330.9880425607888,528.6742283944202,662.1203910234896,22.07067970078299,330.9880425607888,-2.164588528678564,0.011875520896664993,3.9585069655549975E-4,-13.299828195123473,373.2965808009846,12.44321936003282,17.76711967947599,587.3870461212707,293.86665724651334,461.73006323847414,587.7102299349094,19.590340997830317,293.86665724651334,0.3462683717560253,0.06072727352783308,0.0020242424509277694,-8.404087095182946,363.37008528313004,12.112336176104334,17.68626550078485,588.6403885640051,294.4249272712882,460.8191717901684,589.5829282465447,19.652764274884827,294.4249272712882,1.1781746031743978,0.10094490676639356,0.003364830225546452,-6.879541165585037,350.5941243940508,11.686470813135028,17.578887640891093,0,11.890000000000004,15.995928758055424,-0.31571714314832994,0.2615547890424493,4.349864800425078,7.628757790780642,29.0,85.0,84.0,84.0,28.0,1.0,1.0,0.0,0.0,1.0,64.09359199999999,3.590776882606921,3.543242713685907,3.4973074007062226,3.4511585054135683,3.3526696522408206,3.286190235878334,3.1675460085630016,3.0479881564654256,1.953341620939904,1.9389701175438125,1.8962465744527162,1.8417600394377682,1.8026916962473714,1.6970971820282341,1.669991228544549,1.5422718256984493,3.5785777416973827,3.5640010192960787,3.505579536568353,3.454732538521062,3.3772327549353838,3.2777347986929355,3.197348864478314,3.0483636978927375,1.896842154290688,1.8831578853366333,1.8398118691609344,1.791161833787732,1.7408152756631208,1.6508332196037527,1.5993067520433923,1.4825108441379653,3.709004394462643,3.6900464742730494,3.642109103615861,3.597618352709585,3.5195677018217784,3.4423691326383015,3.352978604794168,3.234719122162571,1.7219141008158514,1.706658401163587,1.654562337797795,1.5981685490907709,1.5408762373464409,1.4319073900429247,1.379657542105728,1.233837374218851,3.597020241309582,3.581689320820966,3.523633126734459,3.4671070784888083,3.398485897564016,3.2871543245355057,3.221830531394512,3.0634891016497647,1.8638077689188297,1.848949287335858,1.8065391812903686,1.762291946707368,1.7012066495441842,1.6235100405283893,1.554096910593348,1.4463156886239046,3.760009859596513,3.7456029822023917,3.697052913876959,3.649642462602531,3.5840928483107612,3.4966502693230486,3.425471411402928,3.3020086010315155,1.6683073550857748,1.6535830839684298,1.5993515882202767,1.546409390928696,1.4800271011864488,1.3779837568461952,1.31143609479758,1.1676707723110593,5.2033337674866535,3.6287542484569686,3.601893505838645,3.5806467141881204,3.497976251615973,3.468877820707374,3.3611774939357084,3.264074412156698,1.8087658893004632,1.7885320611062594,1.737579651971231,1.6610643669556233,1.6231790783094453,1.481126246237624,1.4575731325528487,1.3031955083739368,0,0,1,0,0,3,24,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.08333333333333333,0.08838834764831845,0.08333333333333333,21.962126580039858,14.808060412490448,10.460696577764185,7.1009536313039,4.8119166422903605,3.2546009608838817,2.1967424978493124,1.4793625530579064,0.7320708860013286,0.5106227728444982,0.3607136750953167,0.2536054868322822,0.17821913489964297,0.12517696003399545,0.08786969991397249,0.06164010637741277,20.99416611059141,13.964690378025045,9.395091382916233,6.245394899343333,4.134776477568976,2.7247595222876324,1.7860036318399177,1.163410797451799,0.6998055370197137,0.481541047518105,0.3239686683764218,0.22304981783369046,0.1531398695395917,0.10479844316490894,0.07144014527359671,0.04847544989382496,44.60077671483827,83.5207574654044,79.01176470588219,80.08,51.32000479041924,661.1001844311368,0.5186136827306775,0.971171598434935,0.9187414500683975,0.9311627906976744,0.5967442417490609,7.687211446873683,9.931799999999996,133.1150000000001,299.785874845191,471.61219279550227,599.5717496903821,19.985724989679404,299.785874845191,0.04611190914801572,0.0015370636382671906,-9.230052088238947,591.453838096552,19.71512793655173,19.147750914812413,1211,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,27.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,25.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.143988060452905,0.02096286777314016,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.2269754027821795,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.545987186068231,0.0,31.955728552372396,0.0,0.0,0.0,0.0,0.0,0.0,0.02096286777314016,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.761831221213026,5.3821568392398795,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.3821568392398795,0.02096286777314016,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2076944164288447,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2623474471735943,0.0,0.6194827270437947,0.0,0.0,0.0,0.0,0.0,0.0,0.02096286777314016,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.761831221213026,5.3821568392398795,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.761831221213026,0.02096286777314016,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.283639738894637,0.0,1.442306748882985,0.0,0.0,0.0,0.0,0.0,0.0,0.02096286777314016,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.761831221213026,5.3821568392398795,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,53.66666666666667,1.788888888888889,0.5559027777777779,11.761831221213026,-0.06842276146388215,0.02096286777314016,17.363571862268955,1.6457037988935266,4.761831221213026,14.379950493042271,1.6457037988935266,4.761831221213026,14.379950493042271,14.66666,0.48889,0.0,0.01111,0.45736,0.75111,0.43043,0.45736,0.75111,0.02693,0.0,-0.02693,0.0,0.65089,0.0634,0.0,0.09091,0.03409,0.0,16.75,0.55833,15.25,0.50833,1.5,0.05,-13.75,-0.45833,0.0,0.0,43.08423,1.43614,47.84489,4.76067,0.15869,13.75049,0.45835,14.80805,1.05757,0.03525,0.10595,0.00353,0.10595,0.00353,0.0,29.02,2,2,2,2,0,0,0.9642857142857143,1.0562901796690893,1.4116856776725966,2.2599362926279394,2.920051040175226,3.3566191543943495,3.646474650362212,90.84095545154169,121.4049682798433,194.3545211660028,251.12438945506946,288.66924727791405,313.59681993115026,0.16437078458309734,0.21967437252560534,0.3516718309768274,0.45439320532796673,0.5223281770235675,0.5674329940567865,5.369974575033009,5.014579077029501,4.1663284620741585,3.5062137145268717,3.0696456003077484,2.779790104339886,0.16437078458309734,0.21967437252560534,0.3516718309768274,0.45439320532796673,0.5223281770235675,0.5674329940567865,8.749641217538878,13.107292184743754,16.68866185825553,19.1570758881222,21.008127723453466,21.800272395382436,113.13829721027092,96.84654969587622,85.65306363513798,74.18129939349774,64.84037793126944,59.594999643617484,30.0,27.03448275862069,27.0,30,3,16,4.32,4.12819999999999,0.03571428571428571,4.662228441321537,0.1462544848254261,0.0,0.0,4.006126913926392,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,14.335999999999999,29.0,28.0,27.0,26.0,25.0,24.0,23.0,22.0,21.0,284.0,3.4339872044851463,3.4657359027997265,3.4339872044851463,3.4011973816621555,3.367295829986474,3.332204510175204,3.295836866004329,3.258096538021482,3.2188758248682006,3.1780538303479458,5.717027701406222,1.0669014084507042,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,26.0,0.896551724137931,28.0,0.9655172413793104,2,14.0,28.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407407,0.060000000000000026,0.049586776859504134,0.05172413793103448,0.022988505747126447,0.013392857142857142,0.008888888888888892,0.006410256410256412,0.004897959183673469,0.00390625,0.00322061191626409,0.0027272727272727284,0.0023612750885478157,0.13580919349463258,299.785874845191,471.61219279550227,599.5717496903821,19.985724989679404,299.785874845191,0.04611190914801572,0.0015370636382671906,-9.230052088238947,591.453838096552,19.71512793655173,19.147750914812413,26.3,507.7880229253927,5.906890595608519,4.762173934797756,5.442417710521793,6.137727054086234,6.827629234502852,7.527793987721444,8.222285073872717,8.925454386826402,9.622913491543725,10.3283957461889,126.79679062006181,4.07753744390572,0.0,5.1647859739235145,0.0,6.375024819828097,0.0,7.643482907077201,0.0,8.946244609330543,9.269834943761822,424.42803103200157,4.935209663162809,58.64825946285235,1.9549419820950784,5.497201971784922,5.497201971784922,0.0,4308.0,28.0,13.79300000000001,116.0,1.2454117647058818,2.1500547129286445,2.871947163655461,3.628405731798242,4.947830802491059,5.961879690421744,7.265376425923403,8.364006133447788,9.649285782966718,10.783555080980221,84.9861761776471,82.64001679085473,82.28163722637024,112.05599137730705,141.67648337594565,171.74560116360627,202.35140086436127,233.3248470062179,264.81514601065027,296.7666186295913,295.4232110374408,342.02323245430966,354.3842771899664,482.4707115068213,616.709665661078,750.2206954881393,887.2935089223937,1023.3422040936183,1161.213793302357,1298.2081136013485,9.196768549082362,15.592206207549143,20.438645789473465,26.063788835454936,35.435927761484976,42.7771734554091,52.09246824195549,60.05198799282825,69.29761505274067,77.5543462471967,2.1775120196903552,2.7806504732023565,2.9987001762322616,4.030311523488583,5.210753068081232,6.334310569588289,7.528153580027196,8.678011801065637,9.866198414299097,11.018782998148515,178.44999301057183,331.44357692929617,470.79094622488094,584.3624361068305,807.5605781148281,969.7744046942361,1188.90383205281,1367.3521909364158,1582.8724002594306,1768.5186307789115,2.5625362745098035,3.991986662579117,4.602050426086729,6.196340689797326,8.339601908760413,10.161436324481024,12.372041062258326,14.381156682372467,16.670023277857325,18.830344055368013,0.46023247058823463,0.6012128198305933,0.6559659553874266,0.8827505320114077,1.1467050460690928,1.3955790757803457,1.6639525012940202,1.921500805651185,2.1908532937856107,2.452174869985657,1104.0240862864391,2103.5753204278026,35.069508714896315,260.25418236251187,-495.88073471963816,-23.942829091116415,843.7699039239272,2599.4560551474406,59.01233780601273,0.8092367309931257,1.541896084375058,0.02570553934691471,0.19076326900687365,-0.36347477352308044,-0.0175498134371275,1506.1960689856044,2869.8620961259066,47.84456863192808,355.0591253221763,-676.5193102196782,-32.66468141898606,0.13721711724136018,0.16564189869016752,2.7919947614660807,1.528403001281958,1303.377087887404,60.90118076154755,0.9553601474412852,0.044639852558714534,1951.7791118445643,44.178944213783154,12.497128112166422,2494.2531324246697,49.94249825974538,13.561680505041958,3589.98348936707,59.91647093552048,15.31196109877959,6.250380082445755,6.250380082445755,43914.45255460768,43764.23487889539,240.19019984810438,1.0034324300682502,182.8319914067229,182.2065800626827,10.697071167064509,18.026044614978584,35.719617356248904,0.9815560273587696,15.631657049988737,25.160409150270176,9.768973577806044,119.56938146814343,45.033537619027015,1.7337614249569142,23.690330471522575,15.024673338986346,87.36050436127407,1.8162134620309098,7.666493586475227,83.17593549519887,9.740686166571752,89.45068181980197,2.7084332917472445,18.616458774804045,38.80318299025142,10.2907451462594,72.18231026162286,4.28710804233552,40.95128843382736,20.323280678746446,15.852322149859305,45.90020105893272,5.541372053807795,61.00968660886378,9.301971064394598,23.312848927825222,23.582424270311765,3.8322372563415406,1.3283641774883108,25.3104479641298,0.7829265410801522,27.285767544878073,0.3832135420833124,1.6894413113214186,4.375586770615816,0.7327695399980341,21.82284413928782,0.04988655951234116,4.874176053943399,5.765608071100398,0.7426663124135298,18.38867920911712,0.11439809278741261,7.250538882706144,2.7013837064143287,1.1948315078231084,13.535021738155477,0.1862802128830066,9.41959593696537,1.2552910263011061,2.2068329949020353,8.519670998991137,0.2500268428786399,10.62006156685269,0.46029726672462423,4.0288308621138995,3.330009540190245,0.1756023208586334,4.240704055734916,25.02942908858166,2.282959991648686,32.75125415263673,3.359270676441996,1.51690361227772,7.3224437562210065,2.1353510386711627,29.841593232344984,0.22855373109619548,4.738940442941705,18.13974753282749,1.578450231705097,28.922569127953675,0.4436846709616468,8.79503440281843,6.212318740971324,2.0135723348670482,22.247713875646365,0.715663521633273,13.983422345569366,2.4428289702265036,3.529891141861878,13.678618187014525,0.948798549634757,17.264082341526155,0.9347448138357868,6.17793560310235,6.248725412338607,0.6368705629534096,14.760124234054535,25.310871840693853,9.666146141406994,111.07739415592928,40.18826446220241,1.8158511627500522,23.63057198213075,14.069564546825747,82.72717423344794,1.6437480621057383,7.623836909885289,77.89667741907209,9.105350381179338,84.69251607921984,2.478800315017513,18.270766502637354,35.90245711207727,9.371965823098703,68.51042292608314,3.927210226605572,39.397809359320476,18.755744920797934,14.51363681536142,43.91884716245224,5.082546735060662,58.18871973797439,8.431029121347159,22.43180240202471,21.970766218074306,3.5683213973448065,6.242435781399677,24.92270828094035,3.2716022558300204,40.306156761069374,7.215071526050208,1.4600535291604901,9.417000783464315,3.440208536426244,36.64808533741214,0.40520658798589615,4.874484135539738,27.527771076787804,2.3812392861666827,37.13972156326824,0.729176465423517,10.105275590849178,9.750993879479248,2.883159896330598,29.025665111699347,1.170426041850986,17.67187424210902,4.020284024187813,4.870625838926598,17.78740156441401,1.541700666132727,22.862298633840055,1.6620419913998534,7.951811714300721,8.600822203929063,1.0227596358846567,18.877512740605543,25.25630630612667,12.514641760505208,162.27049662067452,65.64723010705036,1.8609669488217704,29.38710979648731,20.934054173336285,111.54287502386184,2.527857518712209,9.018005711078686,106.52373648639686,13.56162222464848,112.30781665917301,3.6390812107894908,21.772264978162024,52.97789500831478,14.126722660969387,90.81283817331943,5.743236500230063,50.22847327590655,28.90587594737996,21.442116081134856,58.22773926536605,7.393356513309046,77.27977392211581,13.403186961671391,30.961309608183235,30.255639901722446,5.164737268543466,10.274000420954028,25.11425755259365,7.392019599419069,75.6463272712123,19.412491259839186,2.008018354708844,21.431009245008745,10.49959106508647,58.519503150389866,0.865682711175373,6.863447925516402,52.99901774880671,6.673812872016284,61.40679810866986,1.4003979591672149,15.244977880800166,24.61368607163231,5.24587159832159,52.12247201588413,2.2308882859063885,30.077050515613852,13.351180235902204,8.434321238336631,36.918368088920765,2.908872417835331,42.88004008170304,5.51898593363611,18.44683295149225,14.42099550921094,2.1536845690019546,114.02652458120525,0.8745190410327894,0.5190346081395348,0.9879262458444119,0.0075768363220760976,0.5684171604497911,0.6335133215386013,0.6279002601472331,115.42007823037757,159.35598508034934,326.53334681406454,0.9818893687666178,1.8298307421356252,103.06302283512699,0.4643953582267315,0.10592971957980367,0.9944967031434158,0.004481138239564434,0.46437474685001534,0.17832405574680738,0.02615373234473889,103.63334791293353,58.828619787491625,167.53197481709958,0.9917450547151238,0.6688525349415617,109.66923546110259,0.5953642838831499,0.2711337853027211,0.9921609235175661,0.005386170289628658,0.5258067853535565,0.2936142045954167,0.1713425808875782,110.53573353028845,95.18960414805932,223.42851546272738,0.9882413852763492,0.9907635708365514,112.96975598898698,0.8701175128830343,0.5044693765352204,0.9879785317330476,0.007609624498942853,0.5579306422225278,0.6271757554104083,0.5931542483902564,114.34434287840524,155.72569312247734,319.6578436973697,0.9819677975995715,1.7782606460231927,112.06016439782174,0.6653598489986479,0.34728229308819053,0.9910443352997573,0.0058843489372823864,0.5489819540150459,0.366724777215659,0.2811015954902451,113.07280653990857,113.70791261250253,252.67420293905704,0.986566502949636,1.19680832672095,114.31924982638316,0.912868906132779,0.5497942628474106,0.9873670841054528,0.007884382651108348,0.5713393487744256,0.6902936587994564,0.704528290400038,115.78191299536336,167.71244631381919,340.8700575873137,0.9810506261581792,1.9661612979739198,113.27909007884423,0.8778690533411435,0.5071976348229343,0.9879206656446403,0.007656002347140863,0.5609904627325027,0.6383989920418677,0.5995873602270522,114.66415676700831,157.3443472412839,322.4463708850739,0.9818809984669604,1.7989768150014225 +UMLCN0393,L,hexyl decanoate ,CCCCCCCCCC(=O)OCCCCCC,Esters,,C16H32O2,BioCompoundML (2016),Unknown,PubChem,,64,0,-3.1101000000000036,9.672722010000022,59.378099999999996,51.10137599999996,0,0,50,18,32,0,16,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2852.6759859999975,2983.6164770000028,3437.449669000003,3258.8413439999986,3090.274342999998,2893.5176139999976,2696.760884999998,2456.1241919999975,2269.4897989999986,8203.731803707753,10508.99685457468,13810.16792812078,14262.723119706106,13295.617058278187,12288.818713323059,11282.020368367932,10363.286437341261,9621.962793500461,362.3425359999999,363.43310000000025,686.660620000001,919.5643200000025,848.747900000002,785.8630000000018,722.9781000000012,659.9533680000008,590.8061960000003,60.136420955168056,78.69603791999997,112.79258652413083,122.6083060875437,112.87786158075174,103.85633272135576,94.83480386195977,86.6840586785638,80.73672160146987,8316.977133820968,7135.072497317802,14752.47451399292,21257.527145919787,19409.269936176515,17930.314781137935,16451.359626099358,14977.917227719016,13339.186677107971,133.27777777777777,107.0,189.08333333333334,222.16666666666669,219.91666666666669,207.66666666666669,196.41666666666669,181.25,167.33333333333337,57.05351971999995,60.89013218367353,36.56861350000003,25.45969799999999,26.412601222222207,26.791829759259237,27.240008939393917,27.29026879999997,28.018392580246896,164.07463607415505,214.46932356274857,146.91668008639127,111.42752437270396,113.6377526348563,113.785358456695,113.95980170068619,115.14762708156957,118.78966411728965,7.246850719999998,7.417002040816332,7.304900212765968,7.184096250000019,7.254255555555573,7.276509259259275,7.302809090909103,7.332815200000009,7.293903654320992,1.2027284191033611,1.606041590204081,1.1999211332354343,0.9578773913089351,0.9647680476987328,0.9616327103829236,0.9579273117369673,0.9631562075395977,0.9967496494008625,166.33954267641937,145.61372443505718,156.94121823396725,166.07443082749833,165.8911960356967,166.02143315868457,166.1753497585794,166.42130253021128,164.68131700133299,2.6655555555555552,2.183673469387755,2.0115248226950357,1.7356770833333335,1.8796296296296298,1.9228395061728396,1.9840067340067342,2.013888888888889,2.0658436213991775,0.3083282705835844,-0.16286800216112707,0.030943224191696036,-0.009398862114335813,-0.017641670393933797,0.0018410583906434243,0.009987433331214145,-0.01697413457254928,0.019616110367375195,1537.5490880000032,-19.920418560001657,-396.73066836000146,131.77391167999997,-27.57494368000019,-29.42128112000026,-31.26761856000033,-76.99392000000029,-120.21932264000053,2434.164358322124,-154.51537631383832,-989.2082614924516,147.99172800997653,-0.04116318050653689,-0.287202792784619,-0.5332424050629285,87.28513191111556,-158.9832183584142,2.214149119999999,0.05264010239999879,0.8349841343999979,-0.06018142719999953,-0.286628300800001,-0.30133713920000116,-0.3160459776000013,-0.4705868160000013,-0.26360349440000064,10.811375630900493,-1.045459502325324,-4.619561170888605,0.27435815118436757,-0.027604679246003905,-0.028176053689837055,-0.028747428133670205,0.8414648734224948,-0.6641047821126138,59.53942844581247,-6.28091861797218,-24.99680163895199,0.7607909958297707,-0.3363700540519876,-0.3455627523196452,-0.3547554505873063,5.1488085093950255,-3.642239775306083,41.702222222222126,0.5107111111111162,11.183155555555542,-0.8265777777777805,-5.629866666666685,-5.943466666666684,-5.257066666666676,-7.134000000000017,-3.024266666666662,0.006166565411671689,-0.0033238367787985115,3.2918323608187273E-4,-7.342861026824854E-5,-1.5078350764045982E-4,1.7046836950402076E-5,1.0088316496175905E-4,-1.8860149525054757E-4,2.4217420206636045E-4,30.750981760000062,-0.4065391542857481,-4.220539025106398,1.0294836849999998,-0.23568327931624092,-0.27241926962963203,-0.31583453090909425,-0.8554880000000031,-1.4841891683950683,48.683287166442476,-3.153375026813027,-10.52349214353672,1.1561853750779416,-3.518220556114264E-4,-0.002659285118376102,-0.005386286919827561,0.9698347990123951,-1.9627557822026445,0.04428298239999998,0.001074287804081608,0.008882809940425508,-4.7016739999999635E-4,-0.0024498145367521456,-0.002790158696296307,-0.0031923836121212253,-0.005228742400000015,-0.00325436412839507,0.21622751261800985,-0.021335908210720896,-0.049144267775410685,0.0021434230561278717,-2.3593742945302482E-4,-2.608893860170098E-4,-2.903780619562647E-4,0.009349609704694386,-0.008198824470526096,1.1907885689162494,-0.12818201261167714,-0.2659234216909786,0.005943679654920084,-0.002874957726940065,-0.0031996551140707884,-0.0035833883897707706,0.05720898343772251,-0.04496592315192695,0.8340444444444425,0.010422675736961555,0.11896973995271853,-0.00645763888888891,-0.04811851851851868,-0.05503209876543226,-0.053101683501683594,-0.07926666666666686,-0.03733662551440324,-0.5390094091124634,0.053381941827587744,-0.011907537724203405,-0.02445178110898917,0.0027643973285577886,0.016359700777812833,-0.030584528446511647,0.0392721370648219,-0.01322036341664258,-0.137248919662017,0.03347807536795852,-0.0076642521905694256,-0.008858880401145004,-0.01027071374091614,-0.027819859758519833,-0.04826477346247385,-0.06477325608749479,-0.21616231680408368,0.023749123002419267,-7.226752261173076E-6,-5.4624189802227535E-5,-1.1063934325988454E-4,0.019921308840478318,-0.0403168293770347,0.02425960822552025,0.2005919533645844,-0.010617338185424397,-0.0553218054426286,-0.06300747025332035,-0.07209052866595603,-0.11807566059507357,-0.07349017505187436,-0.098673420197055,-0.22728036400358334,0.0099128137311299,-0.0010911536029637207,-0.0012065503730688525,-0.00134292837410219,0.04323968578971502,-0.03791758213955982,-0.10764464486616385,-0.2233170762908806,0.004991381182244213,-0.0024143309752768264,-0.0026870052313172875,-0.003009256624819681,0.04804293972169138,-0.037761466918389185,0.012496547164107192,0.14264196679826138,-0.007742559682404392,-0.05769299087001347,-0.0659822136961648,-0.06366769043951208,-0.09503890013854889,-0.04476575051018197,1.613311842880545,0.9732553451523431,1.023491201771535,1.2064433951488511,1.2629491525553889,1.3485820341456383,1.5046917281341914,1.2823767799241461,1.2753494345671244,1.2335416087493074,0.9293391756128749,1.0119729390361578,1.0248551157814152,1.0400795064803556,1.073886622408765,1.0843958670378784,1.5010127045772457,1.3788457920444288,0.9353306075777993,0.9601576114860689,0.9562477839326861,0.9516270786423249,0.926385049253362,1.0261835854692598,0.7299201238984296,0.7130197457311244,0.9725894726548503,1.268388029491094,1.364367689254154,1.4777981962468616,1.6482985572353865,1.3724671414995968,1.5939622436510097,1.4140804365190496,0.9461913101210668,0.9578853177700949,0.9532390987346835,0.9477481126019247,0.8973075868328587,1.023630761664894,1.609170311336308,1.4131898407477654,0.9502375779031385,0.9626697645850995,0.9595740607212176,0.9559155016093575,0.9011151106167854,1.0290058809261957,0.5855003730150284,0.5059016306085485,0.8368796127304718,1.2720768875516852,1.3726434923679973,1.4796262744680129,1.6362925858822732,1.6482601513375292,199.60468704126583,100.0523435206329,156.26870154899848,200.04913148571026,11.113840638095013,100.0523435206329,0.49999999999995737,0.08906217119578891,0.00494789839976605,-4.353157080652929,141.0644654453859,7.836914746965884,8.908590577740524,199.63116339564215,100.06484727691974,156.28906438368801,200.07430220292866,11.115239011273815,100.06484727691974,0.49853115819733773,0.08890388844408398,0.004939104913560221,-4.356358916202575,141.1340433647721,7.840780186931784,8.909478181703856,223.12573640545455,111.16387372466916,174.8769434286155,222.4164128889068,12.356467382717046,111.16387372466916,-0.7979889561162281,0.032280025131837586,0.0017933347295465325,-6.179951982641663,159.59697546724706,8.86649863706928,9.130773121433405,199.65895085593704,100.07797022818743,156.31043717035135,200.10071938965956,11.116706632758863,100.07797022818743,0.49698960043781426,0.08873782300755462,0.004929879055975256,-4.359724318059902,141.20743308259256,7.844857393477365,8.910413938622847,248.1137434330908,122.97457745220622,195.52251681033837,246.1896647409323,13.67720359671846,122.97457745220622,-2.1645885286783653,0.1254129237652592,0.006967384653625511,-3.737058472376365,294.0714555575158,16.337303086528653,10.230881011059166,202.37762975466268,101.36194906320962,158.40927032863715,202.68542386289073,11.26030132571615,101.36194906320962,0.3462683717565511,0.0727636694286351,0.004042426079368617,-4.716969290378115,150.65022058413393,8.369456699118551,9.026929313624153,201.97956942346167,101.13522111444618,158.18957667752062,202.7644239208161,11.264690217823118,101.13522111444618,1.1772817460316816,0.17181073923187035,0.009545041068437241,-3.1704511703488567,135.42230648109617,7.523461471172009,8.835116565544185,0,11.890000000000002,15.995922686620986,-0.3156790886067677,0.2615102401983705,4.338211712120375,7.542314875941435,17.0,49.0,48.0,48.0,16.0,1.0,1.0,0.0,0.0,1.0,37.85662399999999,3.5861996312082742,3.476539017829229,3.3955896907593317,3.211667867123412,3.042742026885549,2.8377108954506616,2.5571422298477597,2.414855626454472,1.9275959466064239,1.882196097944141,1.7939963587463723,1.6374426812818845,1.5753069268555158,1.34881328641178,1.255255478526489,1.0800911669974478,3.5570734126299226,3.484523581557574,3.3944254086748145,3.192411175360412,3.066661511148867,2.824191941945716,2.579707066546815,2.415794660578473,1.8754655598887155,1.8283813495269596,1.7428634385553865,1.5968389945593493,1.504477186880443,1.3029492186735552,1.1682019920044902,1.0088037767380977,3.6969782497246575,3.62691621469931,3.543503955386282,3.3774154100282856,3.2417892226385194,3.0412267209146737,2.8240422079147156,2.6772865874616905,1.6954584546251672,1.6353921056819571,1.5420816000953295,1.354796476382748,1.2641224756540252,1.019889526834666,0.8473560424676232,0.6725661482904072,3.5707166951893505,3.500670876733178,3.406632800734077,3.1980133473602237,3.0914387753835926,2.8337825132193855,2.6100158303850978,2.43702582546931,1.8486571974952706,1.7957523347246618,1.7136720162744068,1.5719409686900736,1.4589625210978745,1.2731087702193038,1.110564784368451,0.9640474932345633,3.7414019073158347,3.682865868417415,3.5964439153268573,3.432873966871719,3.318127075724999,3.1096863243597515,2.9245757207030003,2.7691364358295365,1.6446027408828297,1.5803118444712476,1.488998974459133,1.2998408139832245,1.191218383341493,0.9536325950949961,0.7502823028355615,0.5831127471044872,5.126200650570652,3.579700447592417,3.562722459287215,3.4033716919194315,3.3492810075802293,3.1064044624663407,2.939666598437529,2.7298070873443603,1.789028746782394,1.722029884338305,1.6125357385140213,1.3916532956951446,1.3406071037597935,1.0517187402469144,0.9421843269684749,0.7414261151309399,0,0,1,0,0,3,12,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.08333333333333333,0.08838834764831845,0.08333333333333333,13.476845205801295,8.808060412490448,6.218055890644904,4.1009536313039,2.6905962987307173,1.7546009608838813,1.136082326069491,0.7246119527503083,0.7487136225445163,0.5181212007347322,0.3657679935673473,0.25630960195649377,0.1793730865820478,0.12532864006313438,0.08739094815919161,0.06038432939585903,12.508884736352847,7.964690378025045,5.152450695796949,3.2453948993433333,2.013456134009333,1.2247595222876322,0.7098695550491347,0.4245069316494891,0.6949380409084915,0.4685111987073556,0.30308533504687935,0.20283718120895833,0.13423040893395555,0.08748282302054515,0.05460535038839498,0.035375577637457425,26.098843069407646,48.86671522214135,46.30588235294113,46.96000000000003,29.737350898203637,384.76112335329344,0.5219768613881529,0.977334304442827,0.9261176470588226,0.9392000000000006,0.5947470179640727,7.695222467065869,5.250600000000007,77.71100000000006,105.14134994505861,164.12229256106954,210.28269989011721,11.682372216117624,105.14134994505861,0.0343654623056594,0.001909192350314411,-6.067265799048486,264.9306308996823,14.718368383315683,10.043042438751385,403,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,13.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.583472252154614,5.24638867895888E-5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.634987709500697,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.419679738849892,0.0,14.663462211775375,0.0,0.0,0.0,0.0,0.0,0.0,5.24638867895888E-5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.388705628486473,5.194766623668139,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.194766623668139,5.24638867895888E-5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22109504132231406,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1870243784634864,0.0,0.6126543209876543,0.0,0.0,0.0,0.0,0.0,0.0,5.24638867895888E-5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.388705628486473,5.194766623668139,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.388705628486473,5.24638867895888E-5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2326553603864054,0.0,1.347025462962963,0.0,0.0,0.0,0.0,0.0,0.0,5.24638867895888E-5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.388705628486473,5.194766623668139,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,35.666666666666664,1.9814814814814814,0.5559027777777779,11.388705628486473,0.02044853164712468,5.24638867895888E-5,8.977083035850846,1.6666142027798772,4.388705628486473,13.006303982009007,1.6666142027798772,4.388705628486473,13.006303982009007,8.66666,0.48148,0.0,0.01852,0.47467,0.78519,0.42857,0.47467,0.78519,0.0461,0.0,-0.0461,0.0,0.61321,0.10108,0.0,0.15385,0.05769,0.0,10.75,0.59722,9.25,0.51389,1.5,0.08333,-7.75,-0.43056,0.0,0.0,20.87027,1.15946,24.85672,3.98645,0.22147,7.75049,0.43058,8.80805,1.05757,0.05875,0.10595,0.00589,0.10595,0.00589,0.0,17.02,2,2,2,2,0,0,0.9375,1.1238561897747248,1.6427812336745191,2.81848108839971,3.6125035614687864,3.917082261221976,3.97617463006964,56.19280948873624,82.13906168372596,140.9240544199855,180.62517807343932,195.8541130610988,198.808731503482,0.19912913298727827,0.29107425462945596,0.49938924622248576,0.6400771812743479,0.694043598828539,0.7045138104818276,4.52,4.001074956100205,2.8253751013750144,2.031352628305938,1.7267739285527486,1.6676815597050845,0.19912913298727827,0.29107425462945596,0.49938924622248576,0.6400771812743479,0.694043598828539,0.7045138104818276,9.698823505695543,16.085720617293077,20.87655133342562,23.19295906541108,24.19138321616343,23.645293875869534,66.65750487792172,50.970892719640496,40.739727386045985,33.08381509234731,30.7605955095156,31.641241158409606,18.0,15.058823529411764,15.0,18,3,10,2.9999999999999996,2.437400000000002,0.0625,4.173791543518452,0.2519763153394848,0.0,17.965152907216037,3.466392492179917,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,8.347999999999999,17.0,16.0,15.0,14.0,13.0,12.0,11.0,9.0,8.0,150.0,2.9444389791664403,2.995732273553991,2.9444389791664403,2.8903717578961645,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,2.3978952727983707,2.302585092994046,5.123963979403259,1.1133333333333333,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,0.8235294117647058,16.0,0.9411764705882353,2,8.0,16.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.049382716049382706,0.04000000000000001,0.01652892561983471,0.08823529411764706,0.039215686274509824,0.0234375,0.016000000000000007,0.011904761904761908,0.009419152276295133,0.0078125,0.0044893378226711555,0.004444444444444445,0.002066115702479339,0.2211267046340754,105.14134994505861,164.12229256106954,210.28269989011721,11.682372216117624,105.14134994505861,0.0343654623056594,0.001909192350314411,-6.067265799048486,264.9306308996823,14.718368383315683,10.043042438751385,26.3,300.2362074149898,5.169925001442312,4.23410650459726,4.90527477843843,5.602118820879701,6.289715570908998,6.994849985833071,7.690286020676768,8.400434630806041,9.10063710688422,9.814383077453307,98.0318064964778,3.5553480614894135,0.0,4.634728988229636,0.0,5.849324779946859,0.0,7.1284959456800365,0.0,8.445697189711167,8.764209507142004,256.240230264,5.12480460528,34.64850965299118,1.9249172029439545,5.485212207617785,5.485212207617785,0.0,906.0,16.0,6.964999999999998,68.0,1.2422857142857138,2.141678123895598,2.8659603257505015,3.6309700652724555,4.933941792924349,5.936984686423957,7.2170197571391475,8.30346833291807,9.54113517455908,10.634331938849842,87.01733398057144,86.56284591789853,86.41381757930344,120.2115204443351,153.23509339347348,188.1481721175568,220.49584188867848,259.9288697992452,259.18745718265444,274.6832839962865,291.9578274555604,335.37204054009084,351.34400494366497,481.83691441949526,615.8695807596704,748.563129526239,894.1303141661457,1062.32602885712,1135.0245671412772,1206.895096604796,9.26099327085715,15.715079346340744,20.65709233344747,26.54177574830939,36.058545855408845,43.58505488890287,53.11506146432581,60.75722606768422,69.7149542354861,76.68911518195559,2.1300732584685704,2.6900032086752272,2.922840153407831,3.933120659835176,5.064418963943846,6.124656537647387,7.325824148640821,8.744776097293403,9.55756548850915,10.33172358702089,178.79073998960789,332.8732115162945,472.19293354364265,588.4328239863181,810.1930139336253,972.6606142488465,1190.5536261085329,1352.7691295017828,1570.8585341832327,1760.2297045594034,2.7882976190476185,4.4568919930561695,5.0892556566431555,7.083782078866052,9.711846725772299,12.093242215286605,14.799008490228728,17.44596640661214,19.294332617633405,19.888532342752576,0.45772714285714255,0.5939237090839803,0.6546519317426679,0.8869909682605808,1.152579740050213,1.4020337290396925,1.6776502891596554,1.9826599000738943,2.1708531294038327,2.3313351755942793,675.8777274538686,856.4456183739857,19.82628397333428,217.54500745389115,-275.66445950941284,-22.110027815193813,458.3327199999775,1132.1100778833984,41.936311788528094,0.7565038374847813,0.9586118473495175,0.022191380629441027,0.2434961625152189,-0.3085487404099623,-0.02474755449051399,603.8445277250765,765.1679866674535,17.71325285051419,194.35965552498436,-246.28489533176892,-19.753601519537092,0.2063270424617293,0.24906807366141726,1.0122383302234539,2.723779568425934,846.7382508326409,46.68448407511863,0.9477464785134011,0.052253521486598974,1206.8002820907643,34.7390311046633,10.646621165322587,1516.78543670797,38.94592965520235,11.489683089282355,2162.544246206841,46.503163830075486,12.931681530492332,4.163671329477901,4.163671329477901,8856.121748504078,8757.103242920397,149.04023269343816,1.0113072214449146,59.42101396688164,58.75663963121247,7.446419550277963,10.582349022805118,20.83762310868547,0.969092406967497,8.938043767523304,13.77820145775066,6.207435143415096,60.155837971466305,21.899056510618262,1.7335396315711378,13.4035583334207,13.83735889412852,40.19341518421912,1.4464511136063871,7.660873591472087,28.548469508812186,8.266884670810315,23.249276126224185,3.282412608291651,17.51469769312123,7.856549374109569,7.490254624886092,6.626173625755241,2.3641173888312865,29.735247432494482,2.967862789147469,7.1773831749217685,0.20484380255458734,0.5748869841771765,28.10377166971655,7.485417168337159,6.0227014171218185,0.20812983909773897,0.4404775389026431,0.766615597944598,13.928745535850334,0.507679178580937,13.592190136647186,0.23433661337665146,1.6892513476335558,1.8991758078139105,0.7121600864253277,11.753475760970344,0.04725795311994796,4.868308029055729,3.2766210089833216,0.6909559099207911,6.304535358891969,0.27282663369346694,6.7572521257670575,0.5792372490227085,1.2197895402010102,2.0335594358881584,0.09602596047706806,6.345183481467522,0.15971146602980957,1.6401329126318682,0.003745785580823521,0.043777229364590615,3.92320519872213,0.3399729436959824,1.876585252544599,0.004571744521405904,0.031281814902201055,2.4273111636082545,13.647691952600132,1.401609392558509,16.749050089526175,1.7058635170489163,1.5167107540055376,3.666800899651225,2.0783889063640792,13.895026936010678,0.20140255824936815,4.733533525445995,6.154659736920683,1.4222860957103367,7.886308586295888,0.5953270548829677,8.352226565406394,1.3445641958386245,1.818724015072979,2.628146304908414,0.37744294845811177,9.848789381892873,0.5653756805584932,2.256467019405018,0.018063953583069146,0.09942356642172824,7.836416221487818,1.2873945954219057,2.473016941805591,0.023248752866611586,0.10472265000129943,8.441899314843736,13.928719287472205,6.3224979466111595,56.84975675949726,19.777709685717177,1.8156208054387206,13.587700353196576,13.179149068032427,40.52936823298368,1.314287123571713,7.617969889298985,26.935578796336408,7.651950968136097,23.19033181927437,3.6615573135201966,17.111906836990958,7.7675947120374325,7.1921815449832085,6.571272348840309,2.1610404959440572,28.510730393270027,2.738359088655534,7.033976285166402,0.1836003034839175,0.6278043033406753,26.26170753265475,6.867162336473515,5.680480239485346,0.18757625820696766,0.411859224392742,3.5698283074650154,13.540927001667821,1.953534673996231,20.470762426464553,3.5290629779513245,1.4598606026487766,4.8089875273819445,3.2515632667415155,15.921334209965195,0.3462513554447287,4.869252446903612,8.828763957373722,2.131692984662703,9.342382835022596,0.7343440772559021,9.637552048566587,1.9474173908872936,2.349524609667614,3.1007307283578442,0.6245324930638492,12.612862154094776,0.8936697430248449,2.7370129760647557,0.03585625751379286,0.1268968514463019,10.826331579052276,2.0895307339910443,2.956642849713691,0.04286156063450502,0.1581318477921885,10.794005313129166,13.873866971939727,8.104430534279551,81.4396519363482,31.923975814505535,1.8607287400090353,17.114759374950307,19.216097557595653,52.127362976860766,1.9885993912870226,9.012229287083024,37.30325832844029,11.413705633744344,29.555226555527987,4.635686503104605,20.434731443481876,10.800806501284567,10.159786115095049,8.084579614274773,3.1889434724296555,36.624917190051235,3.8890157762700817,9.406533997154026,0.29549688009983804,0.812382781565441,35.33484280772683,9.979839356908728,7.390162733882583,0.29341824283936685,0.5504890698224548,5.811551914550459,13.775144630956403,4.977129884836717,41.599947038601584,10.610175326955435,1.9287557432265459,11.382866546190467,10.672905006139445,42.98960467708847,0.6820933152497313,6.585835113042836,21.026255277705467,4.329619925304097,25.303996244422923,3.401175615412903,13.678993538895654,8.260852274219499,6.194394839067534,7.247415032512708,1.1642146229298675,20.459346663160595,1.5703916276648828,5.436828779286973,0.08772426765885263,0.5582321578215129,17.317912220937295,3.7806598330122476,4.300616644120874,0.09228104422416429,0.25210852448365495,40.511627134056624,0.8465765861531729,0.4963334460000003,0.9679148278042041,0.020226638340099364,0.5760740714436152,0.6096476150759225,0.5999892028820009,41.8545371662098,54.823654771481664,113.7005405860643,0.9518722417063064,1.7857108894015385,34.12402856927115,0.4932861809069543,0.09755179065787956,0.9829802608957225,0.014209652234344302,0.4087603886853701,0.20671122587123067,0.02317751352984263,34.714866540835985,20.209892771742865,56.5668399938357,0.9744703913435839,0.6386491280864435,37.88440008298026,0.5869241616619565,0.25760458066710634,0.9781938522973772,0.015154670667741323,0.503785638998176,0.2930075837375437,0.16162313050536814,38.72892882530932,32.14565910851868,76.60249527605576,0.9672907784460658,0.9584163532410879,39.87876612414052,0.8461248888795456,0.47936339018093993,0.967831276205364,0.02053489138766732,0.5582195885052196,0.6089902831893151,0.5596623324912456,41.204254403201006,53.26443837619237,110.64357197230743,0.9517469143080461,1.7268722041857805,39.3084693388666,0.6452675123646419,0.3332083141017655,0.9757123350392825,0.016016789302751498,0.542365304568877,0.3541818922211182,0.2704132764781832,40.28694516533301,38.6773955234166,87.41599571622353,0.9635685025589238,1.1669604732681784,40.69045634121851,0.8835765960055575,0.5252004335935917,0.966536753361032,0.020987949785756316,0.5811712553371704,0.6641020942192648,0.6718100613984563,42.09923337081765,57.78783502875094,118.76967044013873,0.9498051300415479,1.9170834109548915,40.036937642873255,0.8555314270538137,0.48214914504600176,0.9676690534000935,0.020677687528345704,0.5626580137076251,0.6225960653684036,0.5661860357768568,41.37461821497307,53.96912739735731,111.85873200357108,0.9515035801001401,1.7514401148528855 +UMLCN0394,L,hexyl laurate,CCCCCCCCCCCC(=O)OCCCCCC,Esters,,C18H36O2,BioCompoundML (2016),Unknown,PubChem,,74,0,-3.686099999999998,13.587333209999985,65.20129999999999,57.288547999999956,0,0,56,20,36,0,18,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3145.2684839999974,3320.573071000003,3824.866743000003,3652.3548019999994,3483.7878009999995,3287.031071999999,3090.2743429999987,2849.6376499999983,2663.003257,9175.10058493016,11814.977123555416,15637.262151445453,16276.319809616367,15309.213748188446,14302.415403233317,13295.617058278187,12376.883127251513,11635.559483410716,404.29742399999975,406.9846600000003,772.1196360000007,1045.3341200000023,974.517700000002,911.632800000002,848.747900000002,785.7231680000017,716.5759960000014,67.492672574564,88.72801515999994,128.16796681382877,140.651363806336,130.92091929954375,121.8993904401477,112.87786158075174,104.7271163973558,98.77977932026181,9310.236454097965,8001.151400349403,16600.878911924614,24215.437455996955,22367.180246253683,20888.2250912151,19409.26993617652,17935.82753779619,16297.09698718516,141.77777777777777,117.5,207.58333333333334,246.66666666666669,244.41666666666669,232.16666666666669,220.91666666666669,205.75,191.83333333333337,56.1655086428571,60.37405583636369,36.08364851886795,25.016128780821912,25.805835562962958,26.08754819047618,26.41260122222221,26.38553379629628,26.899022797979796,163.84108187375287,214.81776588282574,147.5213410513722,111.48164253161895,113.40158331991441,113.51123335899459,113.6377526348563,114.60076969677327,117.53090387283551,7.219596857142853,7.399721090909097,7.284147509433969,7.159822739726043,7.2186496296296445,7.2351809523809685,7.254255555555573,7.275214518518534,7.238141373737387,1.2052262959743572,1.6132366392727262,1.209131762394611,0.9633655055228494,0.9697845874040278,0.9674554796837119,0.9647680476987328,0.9696955221977389,0.9977755486895132,166.25422239460653,145.4754800063528,156.61206520683598,165.8591606575134,165.68281663891617,165.77956421599285,165.89119603569674,166.07247720181658,164.6171412846986,2.5317460317460316,2.1363636363636362,1.9583333333333335,1.6894977168949774,1.810493827160494,1.8425925925925928,1.8881766381766383,1.9050925925925926,1.9377104377104382,0.3168139444845018,-0.16286800215705108,0.026700387484877484,-0.009398852375662667,-0.017641407708977003,0.0018458317623247927,0.01004451405152174,-0.01656261700577439,0.020851573263185024,1700.0694437142863,-20.39722771938427,-480.1708453163228,132.75141160204174,-23.972854311222967,-25.44474321428428,-26.916632117345593,-72.26848502040684,-114.63211520918233,2734.480695057914,-154.96821050762654,-1141.3438796251612,147.3433969719852,0.049549320181206724,-0.1465919523619661,-0.34273322490468416,87.52553943100904,-157.84938166636016,2.2545257142857165,0.056015102040809284,0.8285140408163193,-0.03804718367346854,-0.25075877551020853,-0.26248457142857673,-0.27421036734694515,-0.42576816326531297,-0.22626653061224877,12.153614781201446,-1.043563710881444,-5.282500874822388,0.2787473450975649,-0.02444661670936908,-0.024902112917783534,-0.025357609126198874,0.8449705706653844,-0.6644190907208802,66.83411720795127,-6.2619628486299215,-28.562571079592953,0.8083173464780553,-0.29710592578158623,-0.30443428855874854,-0.3117626513359073,5.193665644136924,-3.635751469086092,42.222222222222335,0.6111111111111069,11.13888888888888,-0.4444444444444308,-4.916666666666668,-5.166666666666668,-4.41666666666666,-6.250000000000011,-2.1666666666666594,0.005657391865794675,-0.002961236402855474,2.518904479705423E-4,-6.437570120316895E-5,-1.306770941405704E-4,1.4649458431149148E-5,8.585054744890375E-5,-1.533575648682814E-4,2.1062195215338408E-4,30.3583829234694,-0.3708586858069867,-4.529913635059649,0.909256243849601,-0.17757669860165162,-0.20194240646257364,-0.23005668476363755,-0.6691526390778412,-1.1579001536281044,48.83001241174846,-2.8176038274113915,-10.767395090803408,1.0092013491231862,3.6703200134227204E-4,-0.0011634281933489373,-0.002929343802604138,0.8104216613982318,-1.5944381986501026,0.04025938775510208,0.001018456400741987,0.007816170196380371,-2.605971484484147E-4,-0.0018574724111867298,-0.0020832108843537836,-0.0023436783533926937,-0.003942297808012157,-0.0022855205112348362,0.21702883537859724,-0.01897388565238989,-0.04983491391341875,0.0019092283910792116,-1.8108604969903024E-4,-1.9763581680780581E-4,-2.167317019333237E-4,0.00782380158023504,-0.006711303946675558,1.1934663787134154,-0.11385386997508948,-0.269458217732009,0.005536420181356543,-0.0022007846354191573,-0.002416145147291655,-0.0026646380456060454,0.04808949670497152,-0.03672476231400093,0.753968253968256,0.011111111111111035,0.10508385744234792,-0.003044140030441307,-0.03641975308641976,-0.04100529100529102,-0.037749287749287694,-0.05787037037037047,-0.021885521885521814,-0.5234278397364506,0.04452412948332333,-0.011379042274301837,-0.023098469620013606,0.002589436754367622,0.015174933871554363,-0.027107467275777928,0.03722951443877023,-0.012216022399542368,-0.14921458914590843,0.029950746920274038,-0.005849346424323905,-0.006651948721104522,-0.007578028294312929,-0.02204177477979349,-0.03814103526354025,-0.0577022959497237,-0.22050772791146744,0.02066764473892235,7.5165248422907306E-6,-2.382608842157528E-5,-5.999064218749493E-5,0.016596794089760357,-0.03265283213949137,0.0252973643547999,0.19414528218675722,-0.0064729535887040205,-0.0461376219252448,-0.0517447234177022,-0.058214455908999235,-0.09792244810063087,-0.056769877503792684,-0.08742564378272953,-0.22962346835840472,0.008797118538412864,-8.343870499195815E-4,-9.106431247398016E-4,-9.986309033785524E-4,0.03604959482267305,-0.030923558774888067,-0.09539763499481788,-0.22577780366338535,0.004638941054481093,-0.0018440273431009045,-0.0020244769273654074,-0.0022326879861321166,0.04029396852956438,-0.030771509754293273,0.014736842105263019,0.1393743793445874,-0.004037490987743197,-0.04830409356725134,-0.05438596491228057,-0.050067476383265655,-0.07675438596491221,-0.02902711323763938,1.6102768522541322,0.9845033033719344,1.0104749972615363,1.174916581215817,1.2176052587082242,1.2842171111499794,1.4100085937254263,1.1885095000948476,1.2958555229290065,1.2582639292552462,0.9344106759612854,1.0063776136560874,1.0160921817081725,1.0273012986913475,1.0535229342923236,1.0589216614980517,1.500821147198537,1.392613296729622,0.943397118870014,0.9656162395405259,0.9627141917949369,0.9593656751654112,0.9390582917323258,1.0218658668475413,0.7378864607570282,0.7188470046424973,0.9558014310749621,1.2289189978741393,1.3075154229460977,1.3982036057214347,1.5355921713822118,1.2612320107871895,1.5835431247212404,1.4239646375161052,0.9530620339864118,0.9638580398584926,0.9604117874494181,0.9564353423620245,0.9153086868303841,1.0202675035002384,1.5971319805677429,1.4228982515780213,0.9562909250766674,0.9675628577805697,0.9652633347283276,0.9626100388988176,0.91750869999116,1.023635519793036,0.5901315789473668,0.5096511916583899,0.822323359769284,1.2318713450292365,1.3146929824561366,1.39912280701754,1.5237573099415163,1.5082236842105223,250.27157087917823,125.38578543958904,196.90579055701738,250.7215708791781,12.536078543958904,125.38578543958904,0.4999999999998721,0.1142477758769625,0.005712388793848125,-4.338771433114752,167.3766427012091,8.368832135060455,10.240493236917645,250.29983134129668,125.39918124974682,196.92670956320245,250.7485093836739,12.537425469183695,125.39918124974682,0.49853115819696825,0.11408414505198894,0.005704207252599447,-4.341637976738082,167.45757641101446,8.372878820550723,10.241460088054858,275.3815163292141,137.2917636865488,216.05083754063702,274.6633262687092,13.733166313435461,137.2917636865488,-0.7979889561165123,0.018029048509795587,9.014524254897793E-4,-8.031542031543983,175.4915167424668,8.77457583712334,10.335181408175714,250.3294912676031,125.41324043402037,196.9486661153328,250.77678190799693,12.538839095399847,125.41324043402037,0.49698960043764373,0.11391244600004136,0.0056956223000020675,-4.344650286415408,167.54293772225597,8.377146886112799,10.242479326049878,302.0675125430201,149.95146200717085,237.4282718074289,300.11938286720954,15.005969143360474,149.95146200717085,-2.1645885286783937,0.1303183909656056,0.00651591954828028,-4.075549323120214,258.2216398685908,12.911081993429539,11.107636570781843,253.23141688137042,126.78884262656348,199.10491677946285,253.54305841595124,12.677152920797562,126.78884262656348,0.3462683717565227,0.09728670509089976,0.004864335254544988,-4.660185874903687,178.50658975806886,8.925329487903443,10.369251035900827,253.924456324051,127.09706980912253,200.37402154908847,254.7487155833102,12.737435779165512,127.09706980912253,1.1775132275131028,0.2010014284036663,0.010050071420183316,-3.2088865289248205,156.93576518830366,7.846788259415183,10.111673165400276,0,11.89,15.995923695984812,-0.31568565556423966,0.2615174148539391,4.340053150222484,7.592462417423771,19.0,55.0,54.0,54.0,18.0,1.0,1.0,0.0,0.0,1.0,42.22945199999999,3.587595352606449,3.499119162124458,3.416918081522013,3.295891958949641,3.1033237602852113,2.982087543606205,2.7321129041864434,2.531759070390212,1.9392279762174973,1.8834826380657037,1.8388675699511066,1.6912306931358407,1.621386626152396,1.4855622060521372,1.2977989003756958,1.236597237129404,3.56710495977158,3.4947365203709087,3.436518013957474,3.2768347170807144,3.1196807446461365,2.9860722000389837,2.7312624362281226,2.555684586630039,1.8847367326941575,1.8333144905715912,1.7813915942729701,1.6493687689699672,1.5561740703841445,1.4251542970841147,1.2454755432479372,1.1439303777537326,3.701752763623958,3.6416033708041873,3.5734649680716433,3.447375982281635,3.2983110929705335,3.172730799883222,2.9575782990832074,2.7981717235770485,1.7075732885035468,1.6397559017376488,1.5894730318850552,1.4277188327506356,1.3125557082175074,1.173936822987961,0.9462973764157414,0.8262030133205799,3.5830195706703387,3.507127478319107,3.454989949074348,3.283759333677776,3.1401005547530145,3.0027218641612303,2.7454324704804276,2.58839336718218,1.8546719178149094,1.8054601811254667,1.7453653500936896,1.6270329893013606,1.5128222552651698,1.388072658170425,1.2081998084222811,1.0847946991911033,3.749440284102775,3.692005933005628,3.63310427546272,3.4975883081549726,3.3720862775864786,3.2417823470867853,3.0360710571281455,2.8995765422448363,1.6554506641423303,1.5874458780401473,1.5329868969375369,1.3757634098208358,1.242551505020685,1.1068398617223225,0.8724592798003609,0.727172275929396,5.145856143863875,3.5909973175913157,3.577217977691201,3.462588492030273,3.3689526141402273,3.2445665096562886,2.9988198533415242,2.9174069510071874,1.8018699415907813,1.7182768487423727,1.672457947133218,1.478757097835481,1.3761221785528992,1.2316761505831155,0.9856278672976817,0.9287184552374622,0,0,1,0,0,3,14,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.08333333333333333,0.08838834764831845,0.08333333333333333,14.891058768174391,9.808060412490448,6.925162671831452,4.6009536313038994,3.044149689323991,2.0046009608838817,1.3128590213661282,0.8496119527503083,0.7445529384087195,0.5162137059205499,0.3644822458858659,0.25560853507243886,0.1790676287837642,0.1252875600552426,0.08752393475774188,0.06068656805359345,13.923098298725943,8.964690378025045,5.859557476983497,3.7453948993433333,2.367009524602607,1.4747595222876324,0.8866462503457716,0.5495069316494892,0.6961549149362971,0.4718258093697392,0.3083977619464998,0.20807749440796297,0.13923585438838865,0.09217247014297703,0.05910975002305144,0.03925049511782065,29.18249867697939,54.64238892935186,51.756862745097976,52.48000000000005,33.33445988023957,430.8176335329342,0.5211160478032034,0.9757569451669975,0.9242296918767495,0.9371428571428579,0.5952582121471351,7.6931720273738256,6.030800000000007,86.94500000000006,130.79043115706747,204.96811805858664,261.58086231413495,13.079043115706748,130.79043115706747,0.05496318313997073,0.0027481591569985366,-5.8021834307025095,321.7263405866018,16.08631702933009,11.547402620484277,509,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,15.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.6822815867594,0.004115059540294341,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.067728545781742,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.44316674680092,0.0,17.537103273566053,0.0,0.0,0.0,0.0,0.0,0.0,0.004115059540294341,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.460618103152445,5.221663483606957,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.221663483606957,0.004115059540294341,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.21504972057856675,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.190297692146258,0.0,0.6146949290888684,0.0,0.0,0.0,0.0,0.0,0.0,0.004115059540294341,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.460618103152445,5.221663483606957,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.460618103152445,0.004115059540294341,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2528690546546626,0.0,1.3897392618312756,0.0,0.0,0.0,0.0,0.0,0.0,0.004115059540294341,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.460618103152445,5.221663483606957,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,38.66666666666667,1.9333333333333336,0.5559027777777779,11.460618103152445,0.00758692743936662,0.004115059540294341,10.371751589081654,1.6625516071263724,4.460618103152444,13.250896667120642,1.6625516071263724,4.460618103152444,13.250896667120642,9.66666,0.48333,0.0,0.01667,0.47024,0.77667,0.42903,0.47024,0.77667,0.04121,0.0,-0.04121,0.0,0.62232,0.09197,0.0,0.13793,0.05172,0.0,11.75,0.5875,10.25,0.5125,1.5,0.075,-8.75,-0.4375,0.0,0.0,24.3514,1.21757,28.47241,4.12101,0.20605,8.75049,0.43752,9.80805,1.05757,0.05288,0.10595,0.0053,0.10595,0.0053,0.0,19.02,2,2,2,2,0,0,0.9444444444444444,1.1077843849525173,1.589086772276221,2.695738266897316,3.4827466094732227,3.8644426028728276,4.077107547243656,62.03592555734097,88.98885924746837,150.96134294624972,195.03381013050046,216.40878576087835,228.31802264564476,0.19075541271722687,0.2736334860885671,0.46419382026373357,0.599713063213166,0.6654393703740801,0.7020593027228127,4.699570537105087,4.218268149781384,3.1116166551602884,2.324608312584382,1.942912319184777,1.7302473748139482,0.19075541271722687,0.2736334860885671,0.46419382026373357,0.599713063213166,0.6654393703740801,0.7020593027228127,9.474970853405472,15.393275023432777,19.958635542962867,22.502636770772263,23.916876588660617,24.523783320455,74.34121964820336,58.48835320300182,47.90039193722468,38.76036139678199,34.530515172528354,32.566722166342466,20.0,17.05263157894737,17.0,20,3,12,3.2199999999999998,2.7191999999999994,0.055555555555555566,4.283947380364646,0.22792115291927592,0.0,22.04406416678943,3.534149284728244,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,9.346,19.0,18.0,17.0,16.0,15.0,14.0,13.0,11.0,10.0,172.0,3.044522437723423,3.091042453358316,3.044522437723423,2.995732273553991,2.9444389791664403,2.8903717578961645,2.833213344056216,2.772588722239781,2.5649493574615367,2.4849066497880004,5.247024072160486,1.0988372093023255,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.0,0.8421052631578947,18.0,0.9473684210526315,2,9.0,18.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.07894736842105263,0.03508771929824563,0.020833333333333332,0.014117647058823535,0.01041666666666667,0.008163265306122448,0.006696428571428571,0.0037986704653371313,0.0036363636363636372,0.003305785123966942,0.20039376545319953,130.79043115706747,204.96811805858664,261.58086231413495,13.079043115706748,130.79043115706747,0.05496318313997073,0.0027481591569985366,-5.8021834307025095,321.7263405866018,16.08631702933009,11.547402620484277,26.3,334.8281766667237,5.321928094887363,4.343805421853684,5.017279836814924,5.713732805509369,6.401917196727186,7.105786129481271,7.8009820712577405,8.509362612301048,9.208839245849916,9.920492151351953,103.02219747114708,3.6635616461296463,0.0,4.74493212836325,0.0,5.958424693029782,0.0,7.234898420314831,0.0,8.54849804124465,8.86827250899781,284.2715303920008,5.076277328428586,38.64846805025306,1.932423402512653,5.4859027415837875,5.4859027415837875,0.0,1253.0,18.0,8.102999999999998,76.0,1.243090909090909,2.143858319228742,2.8674156268602338,3.630246519773181,4.937892125985149,5.944318767332065,7.231781209073942,8.32428942575914,9.575301097479041,10.682604460649207,86.4941569707273,85.54622570685994,85.2974995242097,117.94499960094946,149.93193019532387,183.31070187099908,214.38981787140088,250.9746344888146,255.19667192932863,272.66082615672036,292.850426256954,337.0947560985709,352.1494710577289,482.0109008869508,616.1076138239089,749.0504601622747,893.2811345365599,1055.6682217871453,1140.4401974391212,1225.723572894008,9.244450539490916,15.683386102076371,20.596747135777854,26.408892313697013,35.88048359075517,43.34676721992217,52.79917686223237,60.445100849393455,69.41726373062211,76.5940347125474,2.1422923333287263,2.7135623519950745,2.9431905821143105,3.9601079342543537,5.106217215547872,6.186470760927681,7.399818415564048,8.786636946369297,9.68239549668431,10.553540900779762,178.70297182834105,332.50337459528896,471.78614358185774,587.3002464469575,809.4376391739885,971.8084294572534,1190.0997049254784,1355.330534936804,1573.3346008528115,1762.321048622725,2.7301469696969694,4.337337056840561,4.956885562058076,6.837173775464698,9.319642866543319,11.533921122107863,14.03202047600768,16.414649588122938,18.199632445112176,18.500669327982486,0.4583724545454543,0.5958139451755825,0.6549728180121812,0.8858093388615907,1.150896932166467,1.400127947337224,1.674157193406714,1.9701457117810544,2.1728971180491152,2.353443348808743,739.396673018943,1015.5827476799608,21.598198193639423,261.64111370676306,-359.371648345991,-25.321474012350503,477.75555931217997,1374.9543960259518,46.919672205989926,0.7386301324722566,1.014529882035552,0.021575807107426938,0.26136986752774316,-0.35899908386221807,-0.025295222965732885,740.1640090712334,1016.6367059743593,21.620612517023954,261.9126413814669,-359.7445994722396,-25.347752301955836,0.19034873154319726,0.22977982587111534,0.9338489025895746,3.3700923090227417,951.9895568843034,49.04822984140281,0.9510026189902034,0.04899738100979647,1330.9634203830642,36.482371364579144,10.999899228782246,1679.6967193274197,40.98410325147324,11.88712851460004,2398.1650143475595,48.971063030605734,13.385245909808319,4.466757775970612,4.466757775970612,12434.178819310333,12328.7933428173,162.0656697738068,1.0085479149145142,76.72308908274388,76.07282504693595,8.031401418919327,11.837186512466078,23.31578227425919,0.9697064204998945,10.053645981267548,15.675236073170586,6.80010015633548,70.10159349969359,25.848755807983537,1.7335709127058458,14.992184482709291,14.113413839739684,48.92221226357018,1.508074617238705,7.6616857464395824,37.646921899105706,8.487961840676038,35.17934934972378,3.2825489696886927,17.51877873239226,13.953339485275453,7.5231577966227565,20.294052471734478,2.5909450831110132,29.599717800741068,7.1033469427442135,8.626200574359293,5.1302850782794565,2.9105811228766574,34.50069453394439,3.857669666735918,9.42115585121633,0.10103701494414832,0.5648913705773729,0.8602403612018837,15.825695940563577,0.5519130427967481,15.618975335098257,0.2624693016451145,1.6892823727833044,2.1442939420615064,0.7141050749509221,13.911380068997381,0.0476920271645956,4.869120181127219,3.901347448899228,0.6925129756655735,8.603807286734432,0.2728275946535741,6.761330102263145,0.7831938521709868,1.2200212837073514,4.255794001525547,0.09762352649767057,6.3425370190116315,0.36065402758508347,1.550393503667352,1.554962946989028,0.13365403676278279,5.718104757353106,0.1799890754915483,2.1686212284213306,0.00292318842280969,0.04815896189053228,2.729543312296032,15.544648141930384,1.5480287061042517,19.311459997707495,1.9965574524687875,1.5167417962606873,4.186127340723397,2.0986516035788294,16.884241959103736,0.2059255152193148,4.7343456781086175,8.237771088375887,1.4385119102605954,11.660798475306873,0.5953370644647604,8.3563051669369,2.1997792522507655,1.8211389252502022,6.61102667505513,0.39409081794063694,9.817833234744912,1.1142334349648508,2.2677645778375144,2.141883077039354,0.5043342597241997,9.721996120165757,0.6750007983666134,3.0514177550688792,0.011668064791668504,0.1287675507516221,9.494936801378874,15.825744713009136,6.87813526489198,65.92836525216224,23.297037294677153,1.8156520584685136,15.094067177725849,13.425109543951626,48.67549704806569,1.3691925935090974,7.618782044089187,35.41930474326166,7.848926746441895,34.35724426570485,3.6616788094522823,17.115987688710423,13.308493917601263,7.221497679043436,19.334809664581062,2.3631398878611467,28.376217364509053,6.92302701399929,7.937737938572203,5.032406781984021,2.671188335852936,33.05220736052751,3.5423152405831138,9.050261770597322,0.09130307506359099,0.5852699537423149,4.015262886454127,15.437890548213225,2.1729993499243365,23.72177556901887,4.1597148103588175,1.4598916670819975,5.516558377834282,3.2955748036314376,19.63263226882948,0.35607568784336585,4.870064599972032,11.993560430758926,2.166937620695851,14.275242969187094,0.7343658180384246,9.641631079206162,3.413480782839815,2.3547701128058396,8.463162897298655,0.660693890121712,12.564522749148326,1.7021511437735952,2.9761249208825387,2.5693698499839353,0.8170355472243199,12.934481859571653,1.0907037017839143,3.763719467572344,0.021033152903810647,0.17606871030970644,12.141256551041895,15.770940194304218,8.838113206952817,95.0301961398582,37.68321479466921,1.8607601393211208,19.007966957960473,19.618695433664588,63.21835234107672,2.078471301548302,9.013041442706948,48.786733924489816,11.736125908276454,44.50801635975022,4.635885371575749,20.438813177229456,19.17737254174409,10.2077722970287,25.332054414177456,3.5197503468379505,36.45957120956599,9.811576703337938,11.47198322465236,6.098488856208378,3.875733471917428,43.6842517116997,5.128755123275409,12.1561013254979,0.14225097247920301,0.7402363441031564,6.555286107325756,15.66125126080837,5.377238707277631,47.10800397070944,12.334178091918792,1.948808381370888,12.511547308382974,10.896449066088895,48.59196735027592,0.714341206398689,6.654954442968341,26.416516171501478,4.464854829003013,32.66652558044755,3.4365417536711655,13.82475555213457,11.256366706683888,6.272141329317778,15.318980414832025,1.268935257823718,20.468263435750753,6.586190853986732,4.788896292895973,5.296273392981916,1.4891874810306502,23.882924300371275,1.9825303512038082,6.517867694785403,0.046585357936259494,0.478725707766009,49.938715436990975,0.8474154863453531,0.5021438625,0.9736867860250576,0.016522596829078248,0.568706017902779,0.6225937671137055,0.6071330385125954,51.28827478583633,67.82078477277469,140.35920574925882,0.9605301790375864,1.79843282352908,43.377335075373125,0.4777726916381706,0.09963659379929998,0.9868635503667658,0.01086965010457769,0.42912994791365344,0.19720202212884252,0.023903709012423065,43.9547443608106,25.094079693658077,71.11374325393794,0.9802953255501488,0.6502356790549191,47.17439589409162,0.5824799951799484,0.26105078451324043,0.9824330028777833,0.012130469504380976,0.5074994131098048,0.29411153628605236,0.1640882768326438,48.01792667378481,39.94511180980326,95.1362289817238,0.973649504316675,0.965699226228501,49.319808653324856,0.8456569718274167,0.4857591299424178,0.9737140393305906,0.016695686548869826,0.5547024130372694,0.6200146284832071,0.5681584797831392,50.65122475509469,66.07597297210856,136.9870646634688,0.9605710589958859,1.7428755213036158,48.61376640101,0.6442630999484678,0.33681957539912616,0.9802180530111687,0.012990524458629617,0.5389305934900641,0.3598688892379038,0.2731632033542611,49.59484907635759,47.91112442319582,108.05518140962681,0.970327079516753,1.171962686082229,50.141214561325754,0.8847095258391988,0.5314904055716946,0.9725315952061482,0.017159695352136708,0.5733275843060287,0.6785997690312636,0.6801714632719063,51.55741449273665,71.48019924730983,146.61474612707352,0.9587973928092223,1.9320988166091986,49.48346069979681,0.8544984732522174,0.48852127090241054,0.9735763772658695,0.016812072482463348,0.5583918841088279,0.6330290843611188,0.5746382163966902,50.82648044395144,66.87470540906403,138.35759534308812,0.9603645658988043,1.766059184866637 +UMLCN0395,L,hexyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCC,Esters,,C20H40O2,BioCompoundML (2016),Unknown,PubChem,,72,0,-4.2620999999999984,18.165496409999985,71.02449999999999,63.475719999999946,0,0,62,22,40,0,20,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3437.860981999997,3657.529665000003,4212.283817000012,4045.8682599999993,3877.301259,3680.54453,3483.787801,3243.1511079999996,3056.5167150000007,10146.469366152547,13120.957392536151,17464.356374770086,18289.916499526513,17322.810438098648,16316.012093143576,15309.213748188447,14390.479817161773,13649.15617332098,446.2523119999996,450.53622000000036,857.5786520000007,1171.1039200000027,1100.2875000000024,1037.4026000000022,974.5177000000022,911.492968000002,842.3457960000021,74.84892419395989,98.7599923999999,143.5433471035271,158.6944215251285,148.96397701833627,139.94244815893998,130.92091929954375,122.77017411614771,116.8228370390537,10303.49577437496,8867.230303381,18449.283309856288,27173.347766074115,25325.090556330844,23846.135401292264,22367.180246253683,20893.73784787336,19255.007297262327,150.27777777777777,128.0,226.08333333333334,271.1666666666667,268.9166666666667,256.6666666666667,245.41666666666669,230.25,216.33333333333337,55.4493706774193,59.95950270491809,35.69732048305095,24.669928414634143,25.341838294117647,25.55933701388889,25.80583556296296,25.739294507936503,26.12407448717949,163.65273171213786,215.0976621727238,148.00302012517022,111.52388109467385,113.22098325554671,113.30563953571928,113.40158331991442,114.21015727906169,116.65945447282888,7.197617935483865,7.385839672131153,7.267615694915261,7.1408775609756265,7.191421568627467,7.204184722222237,7.218649629629645,7.23407117460319,7.199536717948736,1.2072407128058047,1.6190162688524574,1.2164690432502299,0.9676489117385884,0.9736207648257272,0.9718225566593054,0.9697845874040278,0.9743664612392676,0.9984857866585786,166.18541571572516,145.3644312029672,156.34985855810413,165.69114491508606,165.52346768843688,165.59816250897404,165.68281663891617,165.82331625296317,164.57271194241306,2.4238351254480284,2.098360655737705,1.9159604519774012,1.6534552845528456,1.7576252723311547,1.7824074074074074,1.8179012345679013,1.8273809523809523,1.8490028490028494,0.32529961838532967,-0.16286800215705075,0.022457550534508423,-0.009398852371587028,-0.0176414074653817,0.0018458415009978716,0.010044776736478517,-0.016557843634093038,0.02090865398349257,1862.3770877419324,-20.785182068673123,-563.1033161217414,133.46423965036593,-21.181161040580786,-22.381952819977254,-23.582744599374177,-68.6635003787706,-110.36303028719925,3034.7686862162686,-155.33385656032033,-1293.0853358769994,146.81049125257465,0.10761740047951207,-0.05239795610191322,-0.21241331268220165,87.69198525919381,-156.966543121869,2.293207741935486,0.05870954422475288,0.8200721040582599,-0.020798285119663355,-0.22273368574402175,-0.23229978772113033,-0.24186588969823897,-0.3912639916753484,-0.19804196462019114,13.495788104953514,-1.0420359085323285,-5.946997236673607,0.2822636598005439,-0.021934828794530903,-0.02230643027985235,-0.02267803176517469,0.8477340427495024,-0.664745823983496,74.12774690346961,-6.246693019589881,-32.14370217538927,0.8462692507805811,-0.266005002958436,-0.27198360484947326,-0.27796220674051764,5.228815849618426,-3.631697602728508,42.70609318996402,0.6914961267198529,11.067435541681132,-0.14909238062203223,-4.3607353451265904,-4.564689559486634,-3.76864377384668,-5.572060353798117,-1.5152618799861264,0.0052467680384730596,-0.002669967248476242,1.9031822486871545E-4,-5.731007543650627E-5,-1.1530331676720065E-4,1.2818343756929665E-5,7.440575360354457E-5,-1.314114574134368E-4,1.787064443033553E-4,30.03834012486988,-0.34074068965037907,-4.772062001031706,0.8138063393314996,-0.13843896104954762,-0.1554302279165087,-0.17468699703240131,-0.5449484157045287,-0.9432737631384551,48.94788203574627,-2.546456664923284,-10.958350304042368,0.8951859222717966,7.03381702480471E-4,-3.6387469515217517E-4,-0.0015734319457940862,0.6959681369777286,-1.3415943856569998,0.036987221644120744,9.6245154466808E-4,0.006949763593714067,-1.2681881170526437E-4,-0.0014557757238171356,-0.0016131929702856273,-0.0017915991829499183,-0.003105269775201178,-0.0016926663642751378,0.2176740016927986,-0.017082555877579154,-0.05039828166672548,0.0017211198768325847,-1.4336489408190133E-4,-1.54905765832308E-4,-1.6798542048277547E-4,0.006728047958329384,-0.005681588239175179,1.1956088210237035,-0.10240480359983412,-0.2724042557236379,0.005160178358418178,-0.001738594790578013,-0.0018887750336768977,-0.0020589793091890197,0.041498538489035126,-0.031040150450671006,0.6888079546768391,0.01133600207737464,0.09379182662441637,-9.090998818416599E-4,-0.028501538203441767,-0.031699233051990516,-0.027915879806271703,-0.04422270122061997,-0.012950956239197661,-0.5088784617307512,0.03627342079412811,-0.010922929128230516,-0.02197606525040066,0.002443093283891415,0.014181254642467195,-0.025046172510359503,0.03406029063853247,-0.011343525915011095,-0.15886570233888309,0.02709225396438329,-0.004608742043470264,-0.005174394699253776,-0.005815467709141869,-0.01814176194287597,-0.031402326467349743,-0.052023837580216975,-0.22387792583220592,0.018288552743059426,1.4370013026647337E-5,-7.4339211426235E-6,-3.214504653429173E-5,0.014218554675552017,-0.027408629952103823,0.02602119061357141,0.18789634054113274,-0.0034287195974186586,-0.039358882854845,-0.043614872882512125,-0.04843832824720155,-0.08395520499158043,-0.045763544517115506,-0.07847770401946125,-0.23153101093741146,0.007906869279049622,-6.586220355531063E-4,-7.116410992017556E-4,-7.717293713369216E-4,0.030908826529612934,-0.026101363483883366,-0.08565075951192225,-0.22783727497962092,0.00431594202692477,-0.0014541501869226713,-0.001579760035610721,-0.0017221178641238877,0.03470912706507407,-0.025961794447195385,0.016457420388957374,0.13616542315981198,-0.0013198161775994195,-0.04137806192556754,-0.04602042243670446,-0.04052781274770369,-0.06420178646364134,-0.01880198413979369,1.6074002014554523,0.9957310767384157,1.000786045112816,1.150992281261557,1.183957463588544,1.2375649863809484,1.3433371337423043,1.1269844367117818,1.3129330317120114,1.278777234962607,0.9389121385922983,1.0026902645732612,1.0102837309234551,1.018889659453675,1.0401316515273342,1.042718948146767,1.5006815185989322,1.403569784654188,0.9496747227550614,0.9697626373431989,0.9675235483399731,0.9649859141363171,0.9480371252525948,1.0187971676804808,0.7461234186118205,0.7254928100885352,0.9431893297836165,1.198838737649415,1.2650043174876278,1.3399919746376023,1.455212569334074,1.1852199755952533,1.5752041697496117,1.4318096528602324,0.9583817647114821,0.968361476500239,0.9657039853008498,0.9626921619415424,0.9280129342163719,1.0177792303159388,1.587485608000071,1.430651055995984,0.9610273381061125,0.9713157779808848,0.9695404740291894,0.9675284628839343,0.9292253068168179,1.0199255177164068,0.5951531682752851,0.5141181888660513,0.8114405391850837,1.2011980285190067,1.2713132955658173,1.3401967641161976,1.4434826049597391,1.4115812324477917,306.7525615842607,153.62628079213016,242.28031930306824,307.2071070388057,13.963959410854805,153.62628079213016,0.4999999999996021,0.12518724904935957,0.0056903295022436165,-4.571478274343938,202.6464419824425,9.211201908292841,11.685218150030986,306.7823965115276,153.64046383486237,242.30168638537492,307.2356066553432,13.965254847970147,153.64046383486237,0.49853115819712457,0.125028609245934,0.005683118602087909,-4.574267926580033,202.75618581398112,9.21619026427187,11.686409244605754,333.2694285062744,166.23571977507896,261.8209701915624,332.5439840007139,15.115635636396089,166.23571977507896,-0.7979889561164555,0.007517890252654591,3.4172228421157233E-4,-10.759033410160253,204.31886289667068,9.287221040757759,11.703300019317956,306.8137088926102,153.65534924652377,242.3241131433144,307.2655176202805,13.966614437285473,153.65534924652377,0.4969896004373311,0.12486213428769216,0.0056755515585314616,-4.577199167306554,202.87192848523418,9.221451294783371,11.687664748722412,361.46774792395905,179.65157969764022,283.68688727279925,359.4999401706149,16.340906371391586,179.65157969764022,-2.164588528678621,0.1286161571459032,0.005846188961177418,-4.512030239859728,371.7601581353592,16.89818900615269,13.020147602321456,309.87741850387533,155.11184343781588,244.52610736013185,310.1922079327448,14.099645815124763,155.11184343781588,0.34626837175645164,0.1086780382695211,0.004939910830432778,-4.882604199234484,217.8035546152885,9.900161573422205,11.843905768009433,311.8057237885888,156.0292490285629,247.35697612947314,312.6622317250967,14.211919623868031,156.0292490285629,1.1776984126983336,0.2099063938089903,0.009541199718590467,-3.4344059010902637,183.17479769990456,8.32612716817748,11.462969926400397,0,11.889999999999997,15.99592470636336,-0.3156921301753602,0.2615246868659305,4.340513063464351,7.617877085232621,21.0,61.0,60.0,60.0,20.0,1.0,1.0,0.0,0.0,1.0,46.602279999999986,3.5883220255401675,3.5161938227402265,3.432948166033037,3.351249230001202,3.184021041083458,3.0467461162687366,2.895791748128444,2.652121550743582,1.9469066193757494,1.8858950601417461,1.8670799942165002,1.7508740933732214,1.6349330789697347,1.580885947126725,1.412517213221888,1.2759566664460282,3.5741162573149103,3.5070659201657746,3.4603567161248026,3.342120038584826,3.1791112975720197,3.072885756038825,2.894614982869719,2.6637836914276316,1.8912173655293458,1.8390230114993542,1.8055311079305718,1.7001063005497692,1.5882923359630798,1.5084515614869345,1.3541308328338049,1.2097447116658022,3.7051638245208554,3.654330123828437,3.5931946884048354,3.4990251867529407,3.358345431605949,3.2458493733548375,3.094299093435888,2.8962423691885646,1.7157518032767793,1.6469298512157882,1.6172390691425482,1.492705946256214,1.347953499801064,1.2704645350221135,1.0887033031727815,0.899162500747568,3.591378515534832,3.5174584471413928,3.481837053432318,3.3534912980677447,3.189122894238325,3.098299555692832,2.9094644815656605,2.683687531350866,1.8591114123993582,1.8142118027509802,1.766151989270184,1.6726727849371332,1.5575084469169895,1.4621105957574418,1.3187354630112438,1.1630338502250348,3.7552096511512687,3.7013875647435057,3.6558282342224104,3.550986932331982,3.4195756461596494,3.3226231788718503,3.1643807718178114,2.9847187869885152,1.6629453000727912,1.596973515652976,1.5584916764942316,1.4388843062808625,1.2894860744926395,1.1972253993241404,1.0203506514014922,0.8163258726050739,5.161751014922933,3.6021441255412943,3.5844850824243784,3.504873548753281,3.384386031648571,3.3318012489257987,3.1293078657688307,2.9624840189986053,1.8091935161387651,1.7188163544976018,1.706675769923139,1.559414218960156,1.386483752857202,1.3506051387054416,1.1449039823227682,0.9526315203011385,0,0,1,0,0,3,16,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.08333333333333333,0.08838834764831845,0.08333333333333333,16.30527233054749,10.808060412490448,7.632269453018,5.1009536313039,3.397703079917265,2.2546009608838813,1.4896357166627652,0.9746119527503085,0.7411487422976131,0.5146695434519261,0.36344140252466667,0.25504768156519503,0.1788264778903824,0.1252556089379934,0.08762563039192736,0.060913247046894284,15.337311861099039,9.964690378025045,6.566664258170045,4.245394899343333,2.720562915195881,1.7247595222876324,1.0634229456424087,0.6745069316494892,0.6971505391408654,0.47450906562024026,0.31269829800809734,0.21226974496716666,0.1431875218524148,0.09581997346042402,0.06255429092014168,0.04215668322809307,32.266154284551135,60.41806263656237,57.20784313725482,58.000000000000064,36.931568862275505,476.87414371257495,0.5204218432992118,0.9744848812348769,0.9227071473750778,0.935483870967743,0.5956704655205727,7.691518446977016,6.811000000000009,96.17900000000007,159.31525886927318,250.51218020377593,318.63051773854636,14.483205351752105,159.31525886927318,0.06613510995252592,0.003006141361478451,-5.975322119709381,598.9918255335549,27.226901160616134,14.069545492567025,627,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,17.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.755352941534053,0.006872794784293257,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.491962937763387,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.4590529044068505,0.0,20.44538802594147,0.0,0.0,0.0,0.0,0.0,0.0,0.006872794784293257,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.513860129746119,5.241492811787934,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.241492811787934,0.006872794784293257,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.21127551020408164,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1929327336975044,0.0,0.6158685806121703,0.0,0.0,0.0,0.0,0.0,0.0,0.006872794784293257,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.513860129746119,5.241492811787934,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.513860129746119,0.006872794784293257,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.266120170709346,0.0,1.4146197584527247,0.0,0.0,0.0,0.0,0.0,0.0,0.006872794784293257,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.513860129746119,5.241492811787934,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,41.66666666666667,1.8939393939393943,0.5559027777777779,11.513860129746119,-0.001959557821404223,0.006872794784293257,11.780018819142962,1.6597938718823735,4.513860129746119,13.428811691881805,1.6597938718823735,4.513860129746119,13.428811691881805,10.66666,0.48485,0.0,0.01515,0.46667,0.7697,0.42941,0.46667,0.7697,0.03726,0.0,-0.03726,0.0,0.62992,0.08437,0.0,0.125,0.04688,0.0,12.75,0.57955,11.25,0.51136,1.5,0.06818,-9.75,-0.44318,0.0,0.0,27.93829,1.26992,32.17443,4.23614,0.19255,9.75049,0.4432,10.80805,1.05757,0.04807,0.10595,0.00482,0.10595,0.00482,0.0,21.02,2,2,2,2,0,0,0.95,1.0942658959797504,1.5432207824897415,2.5869343639740885,3.35308735766509,3.7648167812489124,4.02906330334992,67.84448555074452,95.67968851436397,160.38993056639347,207.89141617523558,233.41864043743257,249.80192480769506,0.18378062108413254,0.2591820460802829,0.43447246767146,0.5631469274561459,0.6322963814077357,0.6766762621382449,4.859930414407126,4.4109755278971345,3.3672619464127873,2.601108952721786,2.1893795291379634,1.9251330070369557,0.18378062108413254,0.2591820460802829,0.43447246767146,0.5631469274561459,0.6322963814077357,0.6766762621382449,9.285756372440845,14.802083224109131,19.142682786793554,21.759080933033314,23.314417739024996,24.30761004043522,82.05817974081342,66.0779878347168,55.26443145674422,45.22195930692668,39.99127252459609,36.12729602088295,22.0,19.047619047619047,19.0,22,3,14,3.44,3.000999999999998,0.04999999999999999,4.37208568911109,0.20965696734438366,0.0,26.22190168075577,3.5625624210315565,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,10.344,21.0,20.0,19.0,18.0,17.0,16.0,15.0,13.0,12.0,194.0,3.1354942159291497,3.1780538303479458,3.1354942159291497,3.091042453358316,3.044522437723423,2.995732273553991,2.9444389791664403,2.8903717578961645,2.70805020110221,2.6390573296152584,5.356586274672012,1.0876288659793814,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.0,0.8571428571428571,20.0,0.9523809523809523,2,10.0,20.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.07142857142857142,0.03174603174603176,0.01875,0.012631578947368426,0.009259259259259262,0.0072028811524609835,0.005859375,0.0032921810699588472,0.0030769230769230774,0.0027548209366391185,0.18284852217823513,159.31525886927318,250.51218020377593,318.63051773854636,14.483205351752105,159.31525886927318,0.06613510995252592,0.003006141361478451,-5.975322119709381,598.9918255335549,27.226901160616134,14.069545492567025,26.3,369.4201459184577,5.459431618637297,4.442651256490317,5.117993812416755,5.814130531825066,6.502790045915623,7.205635176410364,7.900636613018005,8.607582191143917,9.306468399070404,10.016414371391338,107.91430239768178,3.7612001156935624,0.0,4.844187086458591,0.0,6.056784013228625,0.0,7.3310603052186325,0.0,8.641709066113805,8.962519832949532,312.3028305200011,5.037142427741953,42.64845764956852,1.938566256798569,5.486075375075288,5.486075375075288,0.0,1680.0,20.0,9.240999999999998,84.0,1.2437377049180325,2.1455950850026033,2.8685514716288045,3.629693220273734,4.940854875780747,5.949697093331346,7.242325103313079,8.338704028495263,9.598677781582168,10.714791158945689,86.0739000283935,84.73637570823604,84.42622689584385,116.21177777953679,147.45455779671158,179.76322369018996,210.028372144774,244.77554850467027,252.46613465073722,271.3555150947664,293.5674318515158,338.4670888315972,352.7781275369982,482.14394936206327,616.2861386220881,749.4078359620341,892.6745776582845,1051.0589707387012,1144.1456286955406,1238.362582356519,9.231162115934435,15.658138941391202,20.549648444913778,26.307275569581655,35.74693689226493,43.172022929336315,52.573545003594155,60.229014159807505,69.21358075360988,76.5307314071658,2.152107655757377,2.7323298051481726,2.959073843543759,3.9807452617513768,5.137565904250888,6.231801191333229,7.452671463366351,8.815617534191066,9.76780550227784,10.70183906489619,178.63246953486438,332.20875874296235,471.4686489775378,586.4341577403877,808.8711081042607,971.1834939434183,1189.775475509011,1357.103815622588,1575.0287517319957,1763.7147671952207,2.683435792349726,4.242098378838298,4.853572317503871,6.648590955216603,9.025489972121585,11.12375232044345,13.484171894421209,15.700661021476561,17.458694189110382,17.9373677395133,0.4588908196721308,0.5973197264688933,0.6552232658322894,0.8849057399094223,1.149634826253656,1.3987303740887462,1.6716621250117554,1.9614820429629345,2.1742956365958874,2.3682609276869635,823.51903405427,1218.7236312600571,23.97815277009136,231.8562055380847,-343.1233827740905,-22.236301962230094,591.6628285161853,1561.8470140341476,46.21445473232146,0.7803092238286348,1.1547775478708373,0.022720025892736563,0.21969077617136493,-0.32511979616522363,-0.02106956950289927,869.12159787389,1286.2107443379477,25.305948724717258,244.69529847073045,-362.12392230494504,-23.467642511036537,0.1766673191556922,0.21326428342129128,1.0000708099900457,2.0407042867991954,1010.6699588889977,44.70528070335706,0.9576403926999225,0.042359607300077214,1455.1265586753643,38.146121148491154,11.331835354131787,1842.6080019468704,42.92561009405539,12.2596381223801,2633.936178958606,51.32188791303965,13.810256638409784,4.747472662335703,4.747472662335703,16888.860995856256,16777.292733374336,174.9069219337216,1.0066499562387667,96.55913447642764,95.92126227989904,8.5971296912767,13.061375644960512,25.795648940799495,0.9749565162190451,11.169248195011784,17.57227068859046,7.39276516925591,80.04734902792093,29.79845510534893,1.7336021938405686,16.580810631997913,14.389468785350877,57.651009342921256,1.5696981208710354,7.662497901407116,46.74537428939931,8.70903901054182,47.1094225732232,3.2826853310857342,17.5228597716636,20.05012959644127,7.523179772310603,33.91656250986715,2.5909463151527556,29.611889677691533,12.33390453499579,8.690992806381665,19.428122321936893,3.1645550221422045,34.618827559682785,6.4338697619670135,10.615713459035925,4.163192486920347,3.706088400709351,0.9538651244591687,17.722646345276782,0.5961469070125623,17.645760533549403,0.29060198991357955,1.6893133979330757,2.389412076309103,0.716050063476521,16.069284377024395,0.048126101209243835,4.869932333198734,4.5260738888151035,0.6940700414103653,10.90307921457683,0.27282855561368136,6.765408078759207,0.9871504553192643,1.2200214422614188,6.477709030939676,0.09762353519857216,6.354581698317957,0.43411852105474763,1.5508498525613712,3.5608699485864235,0.13544279567137466,5.718633248616027,0.2321525514275867,2.106983199558523,1.1954829689153372,0.1773749847789161,3.0317754609838077,17.44160433126061,1.6944480196500058,21.87386990588884,2.2872513878886678,1.5167728385158559,4.70545378179558,2.118914300793586,19.873456982196785,0.2104484721892636,4.735157830771269,10.32088243983109,1.4547377248108648,15.435288364317806,0.5953470740465532,8.360383768467441,3.054994308662906,1.8211405416714361,10.590577231391796,0.394090908425793,9.829903811453265,1.590428519584774,2.272519972261608,5.952569991317054,0.5229745069290392,9.737786191904323,0.9148016906301795,3.0800617519267623,1.7312607516644392,0.6606468473132682,10.547974287914004,17.72277013854609,7.433772583172847,75.00697374482732,26.816364903637233,1.815683311498323,16.600434002255117,13.67107001987088,56.82162586314774,1.4240980634464933,7.619594198879437,43.903030690186974,8.045902524747746,45.52415671213525,3.661800305384368,17.12006854043017,18.84939312316504,7.221517259402173,32.05792418932983,2.363140985604293,28.38838143103888,11.607943092714287,7.995466652143586,18.328595199594574,2.8974745076478596,33.03736202598636,5.931866910482866,9.82829875069438,4.04301098689373,3.4062154715859156,4.460697465443236,17.334854094758658,2.3924640258524605,26.972788711573155,4.790366642766324,1.4599227315152348,6.224129228286635,3.3395863405213655,23.343930327693766,0.36590002024200663,4.87087675304048,15.158356904144112,2.2021822567290124,19.208103103351526,0.7343875588209471,9.645710109845815,4.879544174792328,2.3547736194257025,13.81836226569222,0.6606940866098088,12.576611123311661,2.64778940402865,2.986454258915841,7.828092482858753,0.8575246550609154,12.99445055854677,1.5353393406958527,3.9748747233228503,2.110984347265489,1.0627721265813053,13.48850778895462,17.668013416668668,9.571795879626146,108.62074034336838,43.442453774833034,1.8607915386332188,20.90117454097067,20.021293309733597,74.3093417052926,2.1683432118095984,9.013853598330918,60.27020952053939,12.058546182808652,59.460806163972265,4.636084240046893,20.442894910977426,27.553938582203543,10.20780434475165,42.51336307166794,3.5197521435786228,36.471772031639446,17.32346516573743,11.5664766001783,24.38786704670944,4.246130535228237,43.8124181334331,8.859282599679705,13.847420387140286,4.911459354002285,4.911585561214739,7.299025798265179,17.549425367421943,5.773403745532074,52.61917278934714,14.064295419504933,1.9650820661157022,13.634769848549144,11.100958929560631,54.196050551328184,0.7456720887311102,6.711181155970315,31.85180053786202,4.593110966981227,40.097836468489035,3.465244157631591,13.943775840473887,14.28420394360191,6.32443355955563,23.473048843128293,1.2795133280664452,20.6501170378045,8.890718184985003,4.85549648360087,13.504852028300247,1.6061857681887413,23.20240489214113,3.686781727854215,6.220467973106221,4.052468318442868,1.931264235665617,60.33240778846016,0.847886186148463,0.5068296822580646,0.9780389198247902,0.013744946041978094,0.5628902286036622,0.6337039186610994,0.6128942301026938,61.68712365686669,82.16300409651717,169.7770078231584,0.9670583797371852,1.8094883773674555,53.79574373404752,0.46459269632658007,0.10134712522125332,0.9895893617612294,0.00854632649210439,0.44758342670212997,0.18924515123405933,0.024506670901333755,54.36168355559535,30.492238743051317,87.38690211021937,0.984384042641844,0.661335248837523,57.487518011345905,0.5786184016224496,0.26383828539023546,0.9855570537897663,0.009919743744355369,0.5110697296485022,0.2950596405081348,0.1660875513585638,58.32997469835859,48.58340565539984,115.68952183362371,0.9783355806846494,0.9722169215152008,59.75244227660438,0.8450371942933828,0.49093206631144914,0.9781305614766053,0.01383301960272231,0.5521260408135865,0.6294645739550419,0.5750482024989965,61.08841153720921,80.24228198351253,166.11934410376548,0.9671958422149078,1.7566388172676248,58.896323118284286,0.643248821998835,0.33972736804625664,0.9835840398702134,0.010742424000097766,0.5364139925767679,0.3647376354758561,0.2753737377691862,59.87929930832938,58.11221253577226,130.86207994353907,0.9753760598053202,1.1765253658218102,60.55826574778726,0.885415356253489,0.5365654064205856,0.9770575168262026,0.014285444252049629,0.5671125984576827,0.6910442559941475,0.6869209928958316,61.980246510461335,86.587772164737,177.33823641003917,0.965586275239304,1.9450778473476618,59.9208329570252,0.8533947461467015,0.4936794585270129,0.9780133798088042,0.013928903167761434,0.5552446617792065,0.6419519017837125,0.5815024710048763,61.267907161698915,81.13911185515872,167.6518730392863,0.9670200697132064,1.7786990345677953 +UMLCN0396,L,hexyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCCCCCC,Esters,Olefins,C24H46O2,BioCompoundML (2016),Unknown,PubChem,,102,0,-3.2831000000000046,10.77874561000003,90.24669999999999,74.51647799999994,0,0,72,26,46,0,24,0,2,0,0,0.0,0.0,0.0,0.0,0.0,4021.013849999997,4307.228677000003,4936.65748500001,4777.35437600003,4607.771311000027,4411.014582000026,4214.257853000028,3973.6211600000006,3786.9867670000026,12027.039439735452,15503.444697756588,20597.43086707549,21640.577202848403,20642.38739698957,19635.589052034447,18628.790707079326,17710.05677605269,16968.733132211943,516.7251599999994,523.4040760000005,986.5892280000007,1347.1437440000032,1269.6088600000028,1206.723960000003,1143.8390600000027,1080.814328000003,1011.6671560000026,88.67220162305374,116.59685825999986,168.9507046332253,187.2140693887698,177.0390119771287,168.01748311773258,158.9959542583365,150.84520907494033,144.89787199784615,11920.179110880455,10293.143014018395,21163.766610819555,31182.254631207106,29149.07976943959,27670.12461440101,26191.16945936243,24717.727060982103,23078.99651037107,168.77777777777777,150.25,261.0833333333333,314.16666666666663,310.91666666666663,298.66666666666663,287.41666666666663,272.25,258.66666666666663,55.84741458333329,60.66519263380285,36.298952095588305,25.27700728042344,26.032606276836308,26.256039178571584,26.50476637106936,26.490807733333337,26.858062177304983,167.04221444077018,218.35837602474066,151.45169755202568,114.50040848067938,116.62365761011056,116.87850626210981,117.16220570490142,118.0670451736846,120.34562505114853,7.176738333333325,7.371888394366204,7.254332558823535,7.127744677248694,7.172931412429394,7.182880714285732,7.193956352201275,7.205428853333353,7.174944368794344,1.2315583558757464,1.6422092712676037,1.2422845928913626,0.9905506316866126,1.0002204066504445,1.0001040661769796,0.9999745550838773,1.005634727166269,1.027644482254228,165.558043206673,144.9738452678647,155.6159309619085,164.98547423919103,164.684066494009,164.70312270476794,164.7243362224052,164.78484707321402,163.68082631468846,2.3441358024691357,2.1161971830985915,1.9197303921568627,1.6622574955908287,1.7565913370998114,1.7777777777777775,1.8076519916142555,1.815,1.8345153664302598,0.3529255392897093,-0.16274861510277663,0.008148799734180123,-0.009695627214977676,-0.017100758619254273,0.0025657946803801374,0.012391946891366775,-0.014752537680568778,4.5792835189044346E-4,2154.1033374999956,-20.278768173605847,-695.0678663888841,138.99476297916615,-35.0540591041667,-36.61468466666628,-38.17531022916586,-83.61589979166567,-126.1888901874986,3581.5465104050077,-152.26489231608585,-1529.470901205726,170.63662394129557,-8.804410009282734,-9.383904871396695,-9.963399733510656,77.52151933283166,-173.2899211150212,2.3544220000000085,0.06108197222219936,0.7984017777777563,-0.013703416666662045,-0.21282775000000842,-0.22066000000001024,-0.22849225000001205,-0.37615650000001505,-0.18869541666667267,15.957480670769463,-1.0195525212261423,-6.97050545411736,0.4385609454146566,0.003938646574578347,0.0038116956520164724,0.0036847447294528213,0.874341469806887,-0.6848342427288383,87.53247581968027,-6.10789242192478,-37.64235135911038,1.7865970845370778,-0.0026225282484448886,-0.0026251979321332275,-0.0026278676158073555,5.510126120950505,-3.640842411717344,44.308641975308504,0.8237311385459556,10.148491083676259,-0.7314814814814732,-5.004115226337442,-5.201646090534972,-4.3991769547325,-6.198559670781885,-1.8127572016460816,0.004901743601245963,-0.0022922340155320654,5.991764510426561E-5,-5.129961489406178E-5,-9.661445547601284E-5,1.5272587383215105E-5,7.793677290167783E-5,-9.835025120379185E-5,3.2477188077336415E-6,29.91810190972216,-0.2856164531493781,-5.110793135212383,0.7354220263447945,-0.19804553166195873,-0.21794455158729928,-0.2400962907494708,-0.5574393319444378,-0.894956667996444,49.743701533402884,-2.1445759481138853,-11.246109567689162,0.902839280112675,-0.0497424294309759,-0.05585657661545652,-0.0626628914057274,0.5168101288855443,-1.2290065327306468,0.03270030555555567,8.603094679183009E-4,0.005870601307189385,-7.250485008815896E-5,-0.0012024166666667142,-0.0013134523809524418,-0.0014370581761007047,-0.0025077100000001004,-0.0013382653664303025,0.22163167598290923,-0.014359894665156933,-0.05125371657439235,0.0023204282826172306,2.2252240534340946E-5,2.2688664595336145E-5,2.317449515379133E-5,0.005828943132045913,-0.004856980444885378,1.2157288308288927,-0.08602665382992648,-0.2767819952875763,0.009452894627180306,-1.4816543776524795E-5,-1.5626178167459687E-5,-1.6527469281807268E-5,0.036734174139670034,-0.02582157738806627,0.6153978052126181,0.011601847021774022,0.07462125796820779,-0.0038702723887908633,-0.028271837436934698,-0.030962179110327212,-0.027667779589512578,-0.0413237311385459,-0.012856434054227529,-0.46763645796353115,0.01222374117835035,-0.010465585119756579,-0.0197102221853168,0.003115745870374167,0.01589980611835088,-0.020064340203104956,6.625639919044544E-4,-0.00954661007610795,-0.17082611559497307,0.02458117258119949,-0.006619588778043504,-0.0072847051676254975,-0.008025117752254509,-0.01863217571845,-0.029913551023289336,-0.04311251237855315,-0.22608107601597363,0.01814982102822442,-9.999744268643512E-4,-0.0011228874187810258,-0.0012597150890278899,0.010389458623992959,-0.024706776834960083,0.026308912204404074,0.17952741442172823,-0.0022172529845318413,-0.03677080829180288,-0.04016636415586309,-0.04394632257057162,-0.0766876626195332,-0.04092516396082837,-0.06479170723892497,-0.2312562784497677,0.010469750193993781,1.0040189623461987E-4,1.0237103741924392E-4,1.0456310024735993E-4,0.026300135601985894,-0.021914649263672564,-0.0707613833351907,-0.2276675425216858,0.007775495972021371,-1.2187375507433486E-5,-1.2853341774255404E-5,-1.3594700448568551E-5,0.030215762930146526,-0.02123958627390693,0.0188525973337939,0.12125694524117837,-0.006289057835449536,-0.04594075116528383,-0.050312462683596786,-0.044959178201738045,-0.0671496238506549,-0.020891257565966895,1.5715742543242486,1.029428660109718,1.0107585765524962,1.1511660938866972,1.1769445653479103,1.2184955246548943,1.3088870604752125,1.1426139248417104,1.303732450579339,1.2925688878799624,0.9465328147724031,1.0074640003237452,1.013930785661257,1.0211296599049022,1.0388343922087593,1.0404934372380936,1.4601523408260335,1.3979408964992468,0.9543980735916224,0.9780209147152116,0.977285255254392,0.9764663135904605,0.9639106007329339,1.0236643073684972,0.7569433177229876,0.7451668167638673,0.9505343854173383,1.1990504301541507,1.2547712246107385,1.31680003353411,1.4143841446718781,1.1453778741653857,1.5214114967407517,1.420454402644672,0.9607770645333867,0.9757762020143542,0.974741503124901,0.9735896685121138,0.9464702896515229,1.0218970962318152,1.53174542559816,1.4191701492329214,0.9627470732373142,0.9779140226498254,0.9775122342310993,0.9770649603310081,0.9467536893321555,1.0229061512505695,0.6131234327110634,0.5504964106010212,0.8322851570274276,1.2100958200905816,1.2701533455399472,1.3269318725455703,1.4136695458344983,1.3670561052388246,425.16999822099535,212.8349991104976,336.497915846202,425.6315366825336,16.370443718558985,212.8349991104976,0.4999999999998579,0.09283066526007827,0.003570410202310703,-6.1801434478208535,330.95813627353294,12.729159087443575,15.085178916244393,425.2025549165253,212.8505430373611,336.52033358968686,425.66273752409165,16.3716437509266,212.8505430373611,0.4985311581968972,0.09268448990185424,0.00356478807314824,-6.184240751997472,330.4664593409425,12.710248436190096,15.081313440818535,454.1266932490116,226.66435214644773,356.93243839523495,453.3900880587506,17.438080309951943,226.66435214644773,-0.7979889561161997,0.03332020164864535,0.0012815462172555904,-8.844137665536408,264.52779442507034,10.174145939425783,14.502660454542129,425.2367239079127,212.8668567541752,336.5438628828539,425.695483539086,16.372903213041766,212.8668567541752,0.4969896004377006,0.09253108477235206,0.0035588878758596944,-6.188547662240975,329.9552918665464,12.690588148713324,15.07728863183428,484.9628691320736,241.39914030169763,379.74263247668216,482.96478741329366,18.57556874666514,241.39914030169763,-2.1645885286783653,0.15718588372037134,0.006045610912321975,-4.810848123212558,303.3466688685884,11.667179571868784,14.858678310266614,428.5802183913809,214.46324338156856,338.85298770010047,428.8998507345406,16.496148105174637,214.46324338156856,0.34626837175619585,0.07756659310301783,0.0029833305039622246,-6.647207958911002,295.9664316749024,11.383324295188554,14.794639707612308,437.03901715137795,218.61886810599856,346.1852535957862,437.8391799515407,16.839968459674637,218.61886810599856,1.0402116402114245,0.12300662665131368,0.004731024101973603,-5.448344329602212,284.0309068098288,10.924265646531877,14.687615953491447,0,11.89,15.995926730170748,-0.3157052807837785,0.26153933148669734,4.341315028099722,7.8046778657959095,25.0,71.0,69.0,69.0,23.0,2.0,2.0,0.0,0.0,2.0,53.161521999999984,3.596070565591625,3.5580936659621227,3.466167963385281,3.4152673705907524,3.312161457855524,3.166136202667793,3.0542917378233487,2.919011230076542,1.9468606846121552,1.9060643430053346,1.8812971333977284,1.8133335570062452,1.7152280054631681,1.6291321952288624,1.5676539816483017,1.4341484595448302,3.6042969620953444,3.532596668120026,3.484028636315818,3.4347080317141243,3.299737861437836,3.17311121123586,3.080442849551429,2.921234460043593,1.8934763353325668,1.8546842040504086,1.8248948870476034,1.7595247548001756,1.6650295357324736,1.5758256201862504,1.4989448720330385,1.3718656959778246,3.7162230145925057,3.674959374950748,3.61997884050382,3.564668203464583,3.4599367026901247,3.3421528986968885,3.247208925613815,3.112403328576553,1.7321983848794824,1.6712564484119832,1.6346133267316054,1.578343947930078,1.4524854302472987,1.3410459983992982,1.2714116985024906,1.1142225517704956,3.6212633687194793,3.545078396544093,3.5010297680043587,3.4524414956608105,3.310509116179779,3.1860197424583365,3.1052281614198836,2.938142601536709,1.861868554348229,1.828033714852504,1.7888619134723127,1.7270835542659446,1.6371244850487727,1.5404020655518695,1.4548952204363739,1.3335828682068198,3.765880993020657,3.719418528256912,3.6787088498856924,3.6201649827135602,3.5126991637486253,3.4061166107453995,3.3211831881758345,3.1832944922333497,1.6838064752712065,1.6203713082938234,1.5791857668771916,1.5255281376932208,1.3978413559227099,1.2817308958349949,1.2008336525127932,1.0448352535656,5.0848626696991435,3.708203567854055,3.5641227037524352,3.536842743739242,3.4676356853744816,3.3505380536708724,3.296254550606921,3.136973503628899,1.8076019704983466,1.7753120816286103,1.731338638689353,1.6320376146978641,1.5373498136362194,1.3949642750766282,1.33877553723998,1.1961633038067112,0,0,1,2,0,3,18,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.08333333333333333,0.08838834764831845,0.08333333333333333,19.133699455293673,12.808060412490448,9.046483015391093,6.1009536313039,4.104809861103813,2.7546009608838817,1.8431891072560391,1.2246119527503083,0.7359115175112951,0.512322416499618,0.36185932061564374,0.2542064013043292,0.17846999396103533,0.125209134585631,0.0877709098693352,0.06123059763751541,17.906225961851383,11.614520292286103,7.615419048150701,4.903643189807196,3.1270891799884515,1.9705503341862303,1.207760512939815,0.7557356709321216,0.6887009985327455,0.46458081169144416,0.30461676192602805,0.2043184662419665,0.13596039912993269,0.08957046973573773,0.057512405378086426,0.03778678354660608,37.89163769590883,70.08157319737813,66.38431372549007,67.28000000000007,43.327232335329406,552.7016035928142,0.5262727457765115,0.9733551832969185,0.9220043572984733,0.9344444444444454,0.601767115768464,7.676411161011308,8.073590000000006,114.28300000000009,224.91569305795232,355.29759300206763,449.8313861159047,17.301207158304024,224.91569305795232,0.07328064625540082,0.002818486394438493,-6.7949927231360014,422.95001873918886,16.267308413045726,15.722860433945451,899,0.0,0.0,2.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,21.0,3.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,19.0,0.0,2.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.83793504357636,4.733603433378615,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5016931611640432,0.0,0.0,6.3090271169468775,1.149423368788899,0.0,0.5016931611640432,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.46421346200996,0.0,22.630914727701736,0.0,4.734412780600543,0.0,0.0,0.0,0.0,-8.093472219281583E-4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.578291361586334,5.259643681990022,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.259643681990022,-8.093472219281583E-4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24963530756383862,0.0,0.0,0.21259071167196744,0.30796889348025713,0.0,0.24963530756383862,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1932295847302647,0.0,0.6031117171814259,0.0,2.3630463941370397,0.0,0.0,0.0,0.0,-8.093472219281583E-4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.578291361586334,5.259643681990022,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.578291361586334,2.371366386463503,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2520578536002045,0.0,0.0,0.5597050045913683,0.5194926697530864,0.0,0.2520578536002045,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2709838772796953,0.0,1.4135863558864776,0.0,2.371366386463503,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.578291361586334,5.259643681990022,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,48.66666666666667,1.871794871794872,0.5597050045913683,11.578291361586334,-0.01061640258696106,-8.093472219281583E-4,14.162390810866983,1.667476013888595,4.578291361586335,15.073122572373718,1.667476013888595,4.578291361586335,15.073122572373718,12.66666,0.48718,0.0,0.01282,0.46574,0.75897,0.43,0.46126,0.75897,0.03574,0.00448,-0.03126,0.0,0.64189,0.0724,0.0,0.10526,0.03947,0.0,15.75,0.60577,13.25,0.50962,2.5,0.09615,-10.75,-0.41346,0.0,0.0,33.62907,1.29343,39.81519,6.18612,0.23793,11.20759,0.43106,12.80805,1.60046,0.06156,0.10595,0.00407,0.10595,0.00407,0.0,25.02,2,2,2,2,0,0,0.875,1.0848840292766133,1.870296700659919,3.065612773774899,3.981203125901444,4.422029564887252,4.5619467026809595,78.11165010791616,134.66136244751416,220.72411971179272,286.64662506490396,318.38612867188215,328.46016259302905,0.17583423283475982,0.3031311888268835,0.49686386350859474,0.6452595655491401,0.7167071826405567,0.7393844660371943,5.085040972165698,4.299628300782393,3.104312227667413,2.188721875540868,1.7478954365550603,1.6079782987613527,0.17526894647122462,0.30215665773220707,0.49526650466642447,0.6431851319905261,0.7144030534021097,0.7370074320016583,9.053049688955499,16.77696364965507,21.962332317386934,24.988018126716188,26.33306225623921,26.299230420803045,97.37183620241339,71.10824461306191,53.95702000762463,40.068756257892645,35.02772607055673,34.77017674606707,26.0,23.04,23.0,26,3,18,3.8799999999999994,3.521599999999995,0.04166666666666667,4.506301932304994,0.18333969940564226,0.0,0.0,3.563203479408948,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.446,0.43,0.658,0.21600000000000003,12.28,25.0,24.0,23.0,22.0,21.0,20.0,19.0,17.0,16.0,238.0,3.332204510175204,3.4011973816621555,3.4011973816621555,3.4011973816621555,3.4011973816621555,3.4011973816621555,3.4011973816621555,3.4011973816621555,3.332204510175204,3.367295829986474,5.7430031878094825,1.3067226890756303,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.0,0.84,23.0,0.92,2,12.0,24.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.06,0.02666666666666668,0.015625,0.010434782608695656,0.007575757575757578,0.005830903790087463,0.0046875,0.0025990903183885634,0.002352941176470589,0.002066115702479339,0.15507113865800767,224.91569305795232,355.29759300206763,449.8313861159047,17.301207158304024,224.91569305795232,0.07328064625540082,0.002818486394438493,-6.7949927231360014,422.95001873918886,16.267308413045726,15.722860433945451,26.3,435.96762572112533,5.700439718141093,4.61512051684126,5.293304824724492,5.988961416889864,6.678342114654332,7.3796321526095525,8.074337694089515,8.77909581088053,9.477079667408038,10.184409325569693,117.47028352366726,3.9318256327243257,0.0,5.017279836814924,0.0,6.2285110035911835,0.0,7.499423290592229,0.0,8.805525052709516,9.127936545721367,366.3497807120013,5.088191398777796,50.648454399354605,1.948017476898254,5.486129323041382,5.486129323041382,0.0,2806.0,24.0,11.001000000000007,100.0,1.235333722227165,2.1421647289685093,2.888194734256858,3.6685696015231732,5.001218419470491,6.027466964848157,7.341244792356286,8.456290681447362,9.739188046032615,10.877104503191747,87.07710078835646,86.99416811123635,87.88564777858413,121.31612721718018,153.98023048951148,187.6561588627103,219.76544450052606,255.73777862629427,268.9034216010042,289.2137594959298,297.0327762709743,348.1047540259228,366.5795547476656,503.7946636169441,645.1546751316522,786.190598061118,937.1421981188504,1101.2645073224198,1209.7602388048017,1319.8823109191721,9.156298496229024,15.6122159896305,20.661609822648526,26.534218751665847,36.08584756475056,43.5950237776995,53.088057381906154,60.877937549094746,69.9976774039021,77.14564980051637,2.1730899653448774,2.798848576554549,3.060833488095322,4.144882414149837,5.3618754018389705,6.522020418528906,7.807823616314134,9.212466327660733,10.269544288638482,11.373429929088484,176.8388983776551,329.7620188883553,472.357184360519,589.1281273966756,813.9170214565211,977.5599039102558,1197.923657285557,1368.1977921937034,1587.341319151827,1772.88887702817,2.702775938581086,4.255886040179753,4.93711170043084,6.769690668945093,9.14981840766197,11.255352482590432,13.620133819859142,15.852649371923883,17.902960365941027,17.79686392765603,0.4611536071787178,0.608007893828945,0.6729578691250684,0.9136106260845592,1.1883042392035947,1.4480874076578631,1.7319971716969451,2.0291209471843823,2.262073888982936,2.477327073939515,860.7169964192532,1479.3188373824746,26.20874703672907,151.98910720835258,-261.22447948122203,-19.52899282520298,708.7278892109006,1740.5433168636966,45.73773986193205,0.8499178521153238,1.46075829116011,0.025879914165469076,0.15008214788467622,-0.25794697844270126,-0.01928396872029145,871.6533557697978,1498.1152158285256,26.541758092527452,153.9202965548092,-264.5436247875778,-19.77713023178278,0.15212002954811468,0.18363197704389383,0.8037069245936896,2.3533335991729367,962.767870404918,49.93823322268776,0.950688326016991,0.04931167398300893,1713.0670441888526,41.38921410450859,11.965332918557152,2172.465540828349,46.60971509061549,12.951427302674865,3088.524780677344,55.57449757467308,14.562983699808436,6.008686183382318,6.008686183382318,29221.42427016751,29103.09332897718,184.5358873151563,1.0040659231598763,158.35090233837403,157.70966695098164,9.618901822398941,15.839542786646337,31.583517537158524,0.9939664902313519,18.255399161385913,20.972868614298175,9.315541966287176,95.00316325308327,46.16405201527805,1.7412909592232462,22.73021742992652,13.89799803477095,72.35275680901098,1.2447064106472014,3.153602141290424,55.760293290473356,3.791081038857963,82.19599339428564,0.015794366431527904,3.4550441633069378,40.58375900731661,1.1917347734707326,79.27052035544634,0.0013746044546316255,1.8392174479777648,31.984033892683133,2.5145590996357243,76.11081950825749,1.858142909032852E-4,5.31772693357997,18.010395028235568,3.607789766281528,57.152916383540166,1.8698988380507343E-4,1.5393649140110905,21.23838552441841,0.8021307026117235,22.53868758233916,0.3878008645792055,0.23765820084169145,3.980945673885469,0.2385863860557124,21.118823653723815,0.008788053131142016,0.6152293946619393,6.405935596637827,0.06991112066026606,19.071433759660717,1.1217498184856686E-4,0.9589906671255616,3.038766615411487,0.09920412472467335,13.962131564407294,1.0512273727011943E-4,1.1654484060318018,0.6767809436251357,0.13073223418426616,10.434649840206518,1.5154162035579301E-5,2.1803336058600977,0.3008858649107528,0.15088775470532165,7.69442393872395,1.548679101530032E-5,4.948247613345361,20.711397375078242,2.4147772563028562,26.673164622872076,3.471902298114065,0.5361894211667764,7.439071731367792,1.1931651309555642,26.36972023623973,0.09140920984014896,0.942736777158734,13.970749680415423,0.3470631929749772,26.56630687248647,0.0011615091048825309,1.1628147233180788,6.6178201418812845,0.3145075725831954,22.481081530648694,3.460952387695031E-4,1.2096089273708654,3.420554925612949,0.474819808686509,19.221420985343794,4.920933974605355E-5,2.461075805850566,1.6793613856113903,0.5857126380512847,14.18642447729156,5.012896969499538E-5,17.2338720899068,21.25380837133018,9.122578343668417,88.06463528260235,41.30597501081317,1.6520095823955698,22.540525955005954,12.804813501224896,70.5887700483494,1.1090257475715426,2.94271997906408,53.37511275676341,3.490386501540348,80.47740848405525,0.014073341627218329,3.2859229193223203,37.5947897482386,1.1365133506579332,75.02839708011527,0.0012904647911836085,1.8307255590429856,28.846035461753818,2.3182113119154155,71.3763821684758,1.7509066530068296E-4,5.093150566787589,16.30975775507799,3.3003624159066836,53.517387930754644,1.7636137086679272E-4,7.289445913135485,20.512272925649913,3.4646300837743897,32.60778218202468,7.4079752000035075,0.7439091432129522,9.665698883001776,2.29475236316692,31.088920237377753,0.19850045849200612,1.2247771393942921,19.784915658005342,0.6557690086307651,32.767905265442856,0.0025206780853884335,1.3750845093532034,10.27806211851191,0.4609464693104498,29.620922568306042,5.16906132932564E-4,1.26257494132857,6.371511322126064,0.7533369326911582,26.487972622981893,7.281878889770775E-5,2.7638675065332237,3.24562245725535,0.9646132175584181,19.61260588612165,7.401819225464993E-5,22.0460462326956,21.160667817910294,11.554997428020677,128.71654083184484,67.2919522710858,2.0890234878836904,27.794003927204113,20.227219154043784,91.74806059257055,1.81521783649769,4.0397052670114535,70.29543663280599,5.485390559383113,104.3049940497067,0.023031797929564352,4.542769887328343,55.35146778423452,1.4562684687046556,101.49673315660456,0.0016934285294737366,2.109449906171248,45.32885133018073,3.298789397791726,98.64757342955238,2.2583271790639018E-4,6.529543884538279,25.89599599794251,4.854836505842845,74.35173018967953,2.2648919889168957E-4,11.520769755937259,21.01756895644668,6.757141455761303,56.40972663303628,19.380602122003854,1.07898691484405,18.170776533021947,8.220013759001663,60.51227755501568,0.49223452086723046,1.7956512970944623,40.52121274460126,2.205097196852427,70.78373088584715,0.006248250124364868,2.179023499819557,25.64889105954508,0.8546214759451966,53.78530746258278,7.892684552194658E-4,1.663949059973541,14.34012286780866,1.3811811764416522,46.58649390365452,1.0907962833876069E-4,4.106532944184996,8.615610140660078,1.74746780146485,34.97023188201293,1.1037843790717114E-4,87.55004620825127,0.8539990820190395,0.45618688969493343,0.9852556544184973,0.009610588010725288,0.5642009379519721,0.6761836277926175,0.5832873928957388,88.86023217996525,115.09642554998952,238.06468358116587,0.9778834816277459,1.8236719586403285,79.57523257794553,0.4157805727789584,0.09030417579273314,0.9936803643413079,0.005191979685894622,0.46610779317737533,0.15953942134532179,0.022856654103362867,80.08131732651722,40.309358293678876,123.37846475074774,0.990520546511962,0.64850386862606,83.55139062133954,0.5602089170025075,0.2348352095206272,0.9905740636352945,0.006641761666360215,0.513841081079993,0.29088765364503866,0.15456936213553626,84.34643474786267,66.55859915473573,161.896785683549,0.9858610954529418,0.959298096860568,86.99694416232633,0.8464033046765809,0.44239062847712973,0.9854020144028258,0.009587089862251649,0.5570948740271686,0.6641312039340415,0.5485406622900579,88.28573809548004,112.49557472921929,233.35652601550774,0.9781030216042387,1.769766740251268,85.1740055661988,0.6362776130130928,0.3026836132737786,0.9890961691222464,0.0073888711156171105,0.5339925434912199,0.37535646876734624,0.25678804989294474,86.11296679248568,80.16767952115484,182.6843767769704,0.9836442536833697,1.1661370621515108,87.95627976115074,0.8941121922594999,0.4839018536876405,0.9845746354818372,0.010008610961767741,0.5694488818615969,0.741195055196617,0.6563138381810814,89.33429380709788,121.637651487361,249.02733334159254,0.9768619532227559,1.9669577752392953,87.12518338752845,0.8523452457699423,0.4446485938228817,0.9853318038498265,0.009639496249686408,0.5587387289416378,0.6734088315963903,0.5541544642194547,88.42217722712127,113.37982024200268,234.82192923983132,0.9779977057747397,1.7863020247574828 +UMLCN0397,L,hexyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCCCCC,Esters,,C22H44O2,BioCompoundML (2016),Unknown,PubChem,,87,0,-4.838100000000001,23.407211610000008,76.8477,69.66289199999994,0,0,68,24,44,0,22,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3730.453479999997,3994.4862590000043,4599.700891000011,4439.381718000031,4270.814717000029,4074.0579879999996,3877.3012590000003,3636.6645660000004,3450.030173000002,11117.83814737493,14426.937661516888,19291.450598094754,20303.51318943674,19336.407128008832,18329.60878305372,17322.81043809865,16404.076507072034,15662.75286323124,488.2071999999995,494.08778000000046,943.0376680000008,1296.8737200000032,1226.0573000000031,1163.172400000003,1100.2875000000029,1037.2627680000028,968.1155960000023,82.20517581335578,108.79196963999988,158.91872739322525,176.73747924392072,167.00703473712863,157.9855058777325,148.96397701833624,140.81323183494004,134.86589475784584,11296.755094651957,9733.309206412598,20297.68770778796,30131.258076151273,28283.000866408,26804.04571136942,25325.09055633084,23851.648157950516,22212.917607339485,158.77777777777777,138.5,244.58333333333331,295.66666666666663,293.41666666666663,281.16666666666663,269.9166666666667,254.75,240.83333333333337,54.859609999999954,59.619197895522454,35.382314546153935,24.39220724175841,24.975524660818884,25.14850609876543,25.34183829411765,25.254615041666668,25.555779059259272,163.4976198143372,215.32742778383414,148.3957738314981,111.55776477712494,113.07840425736158,113.14573322872668,113.22098325554674,113.91719796577802,116.02039157949068,7.179517647058816,7.374444477611947,7.254135907692314,7.125679780219798,7.16992573099417,7.180076543209895,7.19142156862747,7.203213666666686,7.171226637037054,1.2088996443140556,1.6237607408955206,1.2224517491786557,0.9710850507907731,0.9766493259481207,0.9752191720847685,0.973620764825727,0.977869665520417,0.9990066278358951,166.12875139194054,145.27327173750146,156.13605929067663,165.55636305577622,165.3976658854269,165.45707229240384,165.52346768843688,165.63644554132304,164.54013042473693,2.3349673202614376,2.0671641791044775,1.8814102564102562,1.6245421245421243,1.7158869395711498,1.7355967078189298,1.764161220043573,1.7690972222222223,1.783950617283951,0.3337852922861576,-0.16286800215705075,0.018214713584094506,-0.009398852371586722,-0.01764140746533689,0.0018458415050735142,0.010044776980073876,-0.016557833895419975,0.020908916668449316,2024.5283261176514,-21.106973968852884,-645.6575054013797,134.00067268512058,-18.958022266435602,-19.956258339100497,-20.954494411765392,-65.83269448442974,-107.00601902768219,3335.035835038237,-155.63528334395826,-1444.5363051657534,146.36488461012053,0.14532350925737347,0.012300362480978322,-0.12072278429587158,87.81066799738313,-156.260648455946,2.330643764705876,0.06091017301036221,0.8102198615916787,-0.006996429065739242,-0.20025887889273863,-0.20821132179931479,-0.21616376470589083,-0.3639482076124667,-0.17606253287197637,14.837913026831519,-1.0407784301547445,-6.612636662463375,0.28514378894959647,-0.01988978671536068,-0.020198704559126535,-0.020507622402893277,0.8499671357533403,-0.6650640121014859,81.42059787353165,-6.234129318107801,-35.736103869873475,0.8772718196174054,-0.24077038916377802,-0.24574048987077646,-0.2507105905777749,5.257075966965225,-3.6291493018529977,43.16339869281035,0.7573048827374083,10.976835832372165,0.08554402153018242,-3.915801614763548,-4.08535178777393,-3.254901960784306,-5.037197231833914,-1.0057670126874265,0.004908607239502318,-0.0024308657038365784,1.4011318141611158E-4,-5.1642045997729244E-5,-1.031661255282859E-4,1.1394083364651323E-5,6.565213712466586E-5,-1.1498495760708316E-4,1.5488086421073567E-4,29.77247538408311,-0.3150294622216848,-4.966596195395228,0.7362674323358274,-0.11086562728909709,-0.12318677987099072,-0.13695747981546008,-0.4571714894752065,-0.792637177982831,49.04464463291525,-2.3229146767754965,-11.111817732044257,0.8042026626929699,8.498450833764531E-4,7.592816346282915E-5,-7.890378058553698E-4,0.6097963055373828,-1.1574862848588594,0.034274173010380535,9.091070598561524E-4,0.006232460473782144,-3.844191794362221E-5,-0.001171104554928296,-0.0012852550728352766,-0.001412835063437195,-0.0025274181084199076,-0.0013041669101627879,0.21820460333575764,-0.015534006420220067,-0.05086643586510289,0.001566724115107673,-1.1631454219509169E-4,-1.2468336147608973E-4,-1.340367477313286E-4,0.005902549553842641,-0.004926400089640636,1.197361733434289,-0.09304670624041493,-0.27489310669133443,0.0048201748330626674,-0.0014080139717180002,-0.0015169166041405955,-0.001638631310965849,0.03650747199281406,-0.026882587421133315,0.6347558631295639,0.011303057951304601,0.08443719871055512,4.7002209631968363E-4,-0.022899424647740047,-0.02521822091218475,-0.021273869024734028,-0.03498053633217996,-0.007450126019906863,-0.49522513927658285,0.02854438633601445,-0.010520712592797547,-0.02101739261150295,0.0023212456830843456,0.01337490125433672,-0.023425169706334348,0.03155291443249368,-0.010581231763822538,-0.16681838279562264,0.02472980237073095,-0.003723762497369225,-0.004137606238037182,-0.004600137477607252,-0.015355508185913842,-0.026623153357499752,-0.047363268592561535,-0.22656536335848584,0.01639735935925707,1.7327989421419888E-5,1.5481438193941283E-6,-1.6088154206459968E-5,0.012433494219430663,-0.023600666158809062,0.026524551287665305,0.18184130866978276,-0.0011216001603300363,-0.03416871807741668,-0.03749922930149225,-0.04122156537545904,-0.07374118429216175,-0.038051010297689696,-0.07119009490518148,-0.23311348655112124,0.007180069032260103,-5.330526506634473E-4,-5.714057337472202E-4,-6.142709442526399E-4,0.027050527182326305,-0.022576975986433448,-0.07770977110946842,-0.22958233841571196,0.004025663004309798,-0.001175930324480569,-0.001266882481528581,-0.0013685348923469474,0.030489927123445677,-0.02245151709001783,0.01780693745084394,0.1330231095373437,7.4047696700636E-4,-0.03607595609253302,-0.03972900823294531,-0.03351504138905715,-0.055108646274985046,-0.011736994414159783,1.6046698142649556,1.0067872786715804,0.9934048275993872,1.1322568902841805,1.1580783487418518,1.2022829608980083,1.2936992988342293,1.0833685380761708,1.327375062789729,1.2960746750753849,0.9428991472854878,1.0001856308285766,1.0062876223640158,1.0131074952565653,1.030864360279418,1.0317917460796258,1.5005764120818161,1.4124967040635021,0.9546990017155202,0.9730184209139833,0.9712385675976568,0.9692493197735275,0.954725366633185,1.016497613090671,0.7544902514185439,0.7326567988889939,0.9334938712112588,1.1751751130672037,1.2320456580916261,1.2956068554718632,1.395028546434098,1.13030434348804,1.5683789374284642,1.4381874391010614,0.962621337214358,0.9718753997778778,0.9697639292183605,0.9674040503577235,0.9374437095847624,1.0158541345251588,1.579582563854358,1.4369856275433415,0.9648352213705346,0.9742866512449232,0.9728747412962165,0.9712967242947209,0.9380188227338685,1.0172115797954944,0.6004315566323455,0.5190720658808194,0.8031283903861149,1.1770404964561645,1.2376407676604557,1.2952251160912611,1.3833629870785416,1.3409638098122385,368.9989097679268,184.74945488396327,292.2660679472158,369.4572431012599,15.394051795885826,184.74945488396327,0.4999999999997158,0.12833722894329785,0.005347384539304077,-4.927425308210059,246.0408225436462,10.25170093931859,13.213193921914417,369.0301448697847,184.76433801399094,292.2878173862666,369.4871317647987,15.395297156866619,184.76433801399094,0.4985311581971814,0.12818698553878294,0.005341124397449289,-4.930236615616608,246.20028193396413,10.258345080581838,13.214748861340112,396.77028772019025,197.98614938203693,312.1221613087581,396.0387978437502,16.501616576822926,197.98614938203693,-0.7979889561163986,1.5209016410883125E-4,6.337090171201302E-6,-21.09848886733467,236.68829462891125,9.862012276204636,13.120185751074699,369.0629267910662,184.77995819575196,292.3106453349093,369.51850059146744,15.396604191311146,184.77995819575196,0.4969896004377006,0.12802931412512153,0.005334554755213397,-4.933190459232737,246.36849783815217,10.265354076589674,13.216388097127378,426.3239042947956,212.07965788305847,334.3271828769756,424.33969814350684,17.68082075597945,212.07965788305847,-2.1645885286786495,0.12350038691894993,0.005145849454956247,-5.01962637593292,831.2636263715823,34.635984432149264,16.13507276271162,372.27055805787086,186.30841321481358,294.55141387314075,372.5879707319808,15.524498780499204,186.30841321481358,0.34626837175633796,0.11266350585521923,0.0046943127439674675,-5.240039345040573,268.5773013052219,11.19072088771758,13.423533055419862,375.54784418658164,187.89340588371203,298.97874956719994,376.43123163246884,15.684634651352866,187.89340588371203,1.177849927849735,0.2090257967574894,0.008709408198228725,-3.7567142524138655,213.8003163605918,8.90834651502466,12.876101947903857,0,11.890000000000004,15.995925717758155,-0.31569851438000107,0.26153205822201187,4.3406275960537855,7.631190299945706,23.0,67.0,66.0,66.0,22.0,1.0,1.0,0.0,0.0,1.0,50.975107999999985,3.588713962114675,3.5285804045796443,3.4491617565390573,3.38568926744827,3.255725982036515,3.1002224865017625,2.9965954151354306,2.8103815508292214,1.9522185583554659,1.8950703073813266,1.8792757099459956,1.794645766853989,1.6736911237652925,1.6204176020564736,1.5118815244334207,1.3565274501393585,3.5791679921772697,3.5204479234107677,3.473707278508888,3.389191486174045,3.2475189674689022,3.1194074313024567,3.0099517792063386,2.814560299576505,1.8958587102313926,1.8469890976513612,1.8190939435261944,1.7393190050744183,1.6288627348206839,1.5533308768531495,1.445766256919881,1.2977732848643253,3.7076892023919954,3.664839570601522,3.6080834826134813,3.535528702708345,3.4168632293296226,3.295146483843976,3.189618547565431,3.023319923173333,1.7214868420362228,1.6595429644885196,1.6294919622478272,1.5407711390443244,1.4047314072072112,1.3119281109270784,1.2007914623788707,1.0195930068933519,3.5972715432687616,3.532207495399286,3.4938129476767905,3.4042371202518376,3.257322786860981,3.1403425389105717,3.0303302991028067,2.830928364941562,1.8624408073585994,1.822308091986599,1.7802808020984842,1.7072457879755853,1.6027601195171495,1.50877833779787,1.404740718482062,1.2602473990804277,3.759437916436053,3.7111258872038912,3.669929713241845,3.5908489471748037,3.471989417202433,3.3695268481141785,3.261584358096036,3.098648486542211,1.6682867910932382,1.6093414310648195,1.5715498081321118,1.4854263083128623,1.3499719968846198,1.2417375435814064,1.1313521949873326,0.9476074245760562,5.174870095378514,3.6110398410466176,3.5894815133245164,3.534435856891759,3.41744603320931,3.3706517377654,3.233710194668711,3.038505901393063,1.813542010371452,1.738154480691927,1.709948851065731,1.6156505247985937,1.4598478065125444,1.3701268057183102,1.2709383096965177,1.0777838301294096,0,0,1,0,0,3,18,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.08333333333333333,0.08838834764831845,0.08333333333333333,17.71948589292058,11.808060412490448,8.339376234204547,5.6009536313038994,3.751256470510539,2.5046009608838817,1.6664124119594022,1.0996119527503083,0.7383119122050242,0.5133939309778456,0.3625815754001977,0.2545888014229045,0.17863126050050188,0.12523004804419408,0.0877059164189159,0.06108955293057269,16.751525423472135,10.964690378025045,7.273771039356593,4.745394899343333,3.074116305789155,1.9747595222876324,1.2401996409390457,0.7995069316494892,0.6979802259780056,0.47672566860978455,0.31625091475463446,0.2156997681519697,0.14638649075186452,0.09873797611438162,0.06527366531258134,0.04441705175830495,35.34980989212292,66.19373634377287,62.658823529411656,63.52000000000008,40.52867784431144,522.9306538922156,0.5198501454723958,0.9734372991731304,0.9214532871972302,0.9341176470588247,0.5960099682986977,7.690156674885523,7.5912000000000095,105.41300000000008,190.69504462323098,300.6437289706335,381.390089246462,15.891253718602584,190.69504462323098,0.07146650322232456,0.0029777709675968566,-6.33246342109745,505.2881376378003,21.05367240157501,14.940309206741352,757,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,19.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.811585610459467,0.008862472599863835,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.910625141002526,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.470475550098777,0.0,23.375743033508563,0.0,0.0,0.0,0.0,0.0,0.0,0.008862472599863835,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.554867765030625,5.256717845428841,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.256717845428841,0.008862472599863835,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2087620296280277,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1950995783968166,0.0,0.6166049382716049,0.0,0.0,0.0,0.0,0.0,0.0,0.008862472599863835,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.554867765030625,5.256717845428841,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.554867765030625,0.008862472599863835,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.27537597170196,0.0,1.433078852816494,0.0,0.0,0.0,0.0,0.0,0.0,0.008862472599863835,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.554867765030625,5.256717845428841,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,44.66666666666667,1.8611111111111114,0.5559027777777779,11.554867765030625,-0.009326015433861023,0.008862472599863835,13.197103971157217,1.657804194066803,4.554867765030625,13.564122321116486,1.657804194066803,4.554867765030625,13.564122321116486,11.66666,0.48611,0.0,0.01389,0.46373,0.76389,0.42973,0.46373,0.76389,0.034,0.0,-0.034,0.0,0.63636,0.07793,0.0,0.11429,0.04286,0.0,13.75,0.57292,12.25,0.51042,1.5,0.0625,-10.75,-0.44792,0.0,0.0,31.62039,1.31752,35.95711,4.33672,0.1807,10.75049,0.44794,11.80805,1.05757,0.04407,0.10595,0.00441,0.10595,0.00441,0.0,23.02,2,2,2,2,0,0,0.9545454545454546,1.0827203878670804,1.5036119659371505,2.490562430328682,3.2308373605301015,3.6530649603139373,3.9360409681842,73.62498637496147,102.24561368372623,169.35824526235038,219.6969405160469,248.40841730134775,267.6507858365256,0.17786069765063142,0.24700141999196412,0.4091297959885585,0.5307362763082593,0.600096469675306,0.6465815185782314,5.00474245338326,4.583850875313189,3.596900410921658,2.8566254807202385,2.4343978809364026,2.15142187306614,0.17786069765063142,0.24700141999196412,0.4091297959885585,0.5307362763082593,0.600096469675306,0.6465815185782314,9.123484061109917,14.291680486774288,18.419309950798432,21.036696951882792,22.637130364194864,23.77695523679681,89.80102835834022,73.71972487899072,62.75665689557885,52.13320271154674,46.33695031384198,41.38275599114685,24.0,21.043478260869566,21.0,24,3,16,3.6599999999999997,3.2827999999999964,0.045454545454545456,4.444844403576641,0.19518001458970666,0.0,30.465181195172338,3.569083546339087,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,11.341999999999999,23.0,22.0,21.0,20.0,19.0,18.0,17.0,15.0,14.0,216.0,3.2188758248682006,3.258096538021482,3.2188758248682006,3.1780538303479458,3.1354942159291497,3.091042453358316,3.044522437723423,2.995732273553991,2.833213344056216,2.772588722239781,5.455321115357702,1.0787037037037037,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.0,0.8695652173913043,22.0,0.9565217391304348,2,11.0,22.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.06521739130434782,0.028985507246376826,0.017045454545454544,0.011428571428571434,0.008333333333333335,0.006444683136412459,0.005208333333333333,0.0029048656499636887,0.002666666666666667,0.0023612750885478157,0.16790412014437645,190.69504462323098,300.6437289706335,381.390089246462,15.891253718602584,190.69504462323098,0.07146650322232456,0.0029777709675968566,-6.33246342109745,505.2881376378003,21.05367240157501,14.940309206741352,26.3,404.0121151701916,5.584962500721157,4.532599493153256,5.209486152841421,5.905361848054571,6.594413459749778,7.29641326877392,7.991253929840199,8.697011617992073,9.395408154438163,10.103935495918149,112.72588342076152,3.8501476017100584,0.0,4.9344739331306915,0.0,6.1463292576688975,0.0,7.418780882750794,0.0,8.726967774991493,9.048644632975885,340.33413064800123,5.004913686000018,46.648455049397384,1.9436856270582243,5.486118533448163,5.486118533448163,0.0,2195.0,22.0,10.379000000000001,92.0,1.2442686567164174,2.1470112170951348,2.8694626438057895,3.629256404879435,4.943159236732879,5.953809930860209,7.250233023992432,8.349274737168415,9.615679006384442,10.737781657728894,85.7289129861791,84.07603647858886,83.72729390825367,114.84344476263213,145.52771259779107,177.05044625780667,206.7572878498039,240.2295521162977,250.480289357216,270.42315005051324,294.15601853361886,339.5860678292956,353.2824343830055,482.24898763188907,616.4249912428941,749.681123338321,892.2196599995779,1047.6788533031784,1146.840487791121,1247.3904462583112,9.22025370853732,15.637552794986368,20.511865978616203,26.22705182422741,35.643067237883635,43.03839494241774,52.4043211096155,60.070550587444494,69.06544767941915,76.48551476046468,2.1601650099898513,2.7476324977191595,2.971815360954192,3.997037888722707,5.1619482176865645,6.266465638113942,7.49231124921808,8.836869965260364,9.82992186998222,10.807766324979346,178.57459451783123,331.9685335095271,471.21395550374245,585.7504034983588,808.430472827806,970.7056020798975,1189.53230344666,1358.404221458828,1576.2608614623123,1764.7102804612919,2.6450907960199,4.164442226005682,4.770694659784563,6.499709781336531,8.796704387571356,10.810093825053016,13.073285458231362,15.17706940593589,16.919830002927256,17.53500946203531,0.4593163432835817,0.5985475173695924,0.6554241745231454,0.8841923723156059,1.1486531883214703,1.3976616416046168,1.6697908237155383,1.9551286858296457,2.17531274099354,2.378844912599978,873.138722871853,1385.0300267947114,25.181179041711136,228.0509187115006,-361.7493552624227,-21.96077679056357,645.0878041603524,1746.7793820571342,47.141955832274704,0.7929049546964533,1.2577579505771914,0.022867250190897345,0.20709504530354625,-0.3285077715971597,-0.01994277457876111,961.4913172918034,1525.1807187882516,27.729253523588156,251.12730943867197,-398.35464286443664,-24.18297992289274,0.16482074392813692,0.198963668067104,0.8086088601350006,1.9038631496477558,1057.2391285150218,43.950513068332114,0.9600881524774082,0.03991184752259159,1579.2896969676647,39.74027801824825,11.64538722616813,2005.5192845663216,44.78302451338366,12.610789625398551,2870.009320300207,53.57246793176703,14.211102406779903,5.008204777624125,5.008204777624125,22307.484599661104,22189.823706080584,187.6580192033216,1.0053024708595715,118.87306865096791,118.24607229834714,9.144551489914367,14.314947604404614,28.276773869530377,0.9753319852061354,12.284850408756022,19.469305304010383,7.985430182176331,89.9931045561481,33.748154402714306,1.7336334749752786,18.16943678128651,14.665523730961866,66.37980642227241,1.6313216245034143,7.663310056374491,55.84382667969297,8.930116180407277,59.039495796722754,3.2828216924827527,17.526940810934505,26.146919707607235,7.5232017479979385,47.539072547999865,2.590947547194537,29.62406155464163,17.5644621272475,8.690992846138577,33.73089462288234,3.16455505166037,34.64800670959431,10.55373712525104,10.719425871863777,18.09778940283078,3.984044212672843,1.0474898877164545,19.61959674999003,0.6403807712283746,19.672545732000486,0.31873467818204654,1.6893444230828267,2.634530210556697,0.7179950520021018,18.227188685051413,0.04856017525389432,4.870744485270214,5.150800328730985,0.6956271071551258,13.202351142419245,0.27282951657378596,6.769486055255284,1.1911070584675343,1.2200216008153812,8.699624060353807,0.09762354389947403,6.3666263776243435,0.5075830145244157,1.5508498647473958,5.566811708195817,0.1354427958811382,5.746425117518918,0.27002370192313574,2.107713690929396,2.9162538584026203,0.17933264952447242,3.3340076096715836,19.338560520590867,1.8408673331957552,24.436279814070158,2.577945323308551,1.516803880771007,5.2247802228677545,2.1391769980083013,22.86267200528987,0.21497142915922088,4.735969983433878,12.403993791286288,1.4709635393610734,19.209778253328732,0.5953570836283415,8.364462369997934,3.9102093650750573,1.8211421580925184,14.570127787728454,0.394090998910952,9.841974388161644,2.0666236042047137,2.2725199863520387,9.76361911087831,0.5229745091002511,9.765858408311608,1.2393221550489926,3.087673690650357,5.149719781480926,0.6810472293378277,11.601011774449132,19.619795564083024,7.989409901453696,84.08558223749222,30.3356925125973,1.8157145645281185,18.106800826784315,13.917030495789923,64.96775467822994,1.4790035333839342,7.620406353669526,52.386756637112335,8.2428783030533,56.69106915856571,3.661921801316425,17.124149392149512,24.390292328728922,7.221536839760401,44.781038714078555,2.3631420833474737,28.40054549756834,16.292859171429406,7.995466688895418,31.629180664400266,2.8974745339492833,33.06645524775912,9.608477920031156,9.920704647490473,16.948495051035227,3.6538690953290316,4.906132044432341,19.231817641304076,2.6119287017805832,30.22380185412739,5.421018475173832,1.4599537959484565,6.931700078738979,3.3835978774112387,27.055228386558085,0.37572435264066123,4.871688906108875,18.323153377529305,2.237426892762081,24.14096323751596,0.7344092996034652,9.64978914048536,6.34560756674487,2.3547771260453834,19.173561634085765,0.6606942830979121,12.58869949747498,3.593427664283735,2.9864542754191383,13.08760187400974,0.8575246597725247,13.022716063862077,2.2189244516937974,3.9914088280946913,6.931027987109471,1.107084484255969,14.835759026867338,19.56508663903316,10.305478552299464,122.21128454687823,49.201692754996856,1.8608229379453067,22.79438212398078,20.423891185802308,85.40033106950867,2.2582151220709603,9.01466575395468,71.75368511658894,12.380966457340397,74.41359596819443,4.636283108518003,20.446976644724835,35.93050462266319,10.207836392473924,59.69467172915839,3.5197539403193523,36.48397285371235,24.835353628137106,11.566476652557297,42.68444255446061,4.246130578271704,43.84191657175171,14.839873886358108,13.998675176609018,22.975896497060223,5.3169579927349035,8.042768246455472,19.43912890200325,6.166644256536961,58.13263891064797,15.798942865368844,1.9785540988079995,14.753943805096043,11.291356944799466,59.80139937114345,0.7763230676976467,6.757849499874185,37.32045456147967,4.716192992088369,47.58012713033508,3.4890061818262055,14.042970260008108,17.33599914390769,6.367707667623099,31.714906924890048,1.2882668975236151,20.80269455614006,11.216554784739525,4.888712608322189,21.828833238949695,1.6171735816576263,23.38787666140394,5.4432162504061585,6.306022006375384,11.846198621057695,2.0597192292539748,71.71023528836402,0.8481437060585852,0.5106885926470588,0.9814034536969226,0.011607424784063802,0.5585285791293577,0.6433138045632998,0.6176387628729139,73.06906758706965,97.87532117321979,202.00476757481846,0.9721051805453838,1.8194811465655714,65.34316366190346,0.45343767998618745,0.10277586935218692,0.9915596539318511,0.006880758197952062,0.4638065496338807,0.18266418973169257,0.025015232770407337,65.89937721124183,36.39135543714323,105.33588428062913,0.9873394808977766,0.6714859721359806,68.82534353542312,0.5752856795532324,0.2661394644037357,0.9879221448058059,0.008257677088495494,0.5145054281015147,0.295901641487842,0.16774160239474528,69.66676867938008,58.06448081481661,138.2688378644916,0.9818832172087087,0.9781486719841019,71.18702178614171,0.8443823621534179,0.4952022830509213,0.9815297487209416,0.011642380688978096,0.5504133986122972,0.6376395907107475,0.5807477111784229,72.52660643134605,95.77918139604851,198.0719343497466,0.9722946230814123,1.7688007005014676,70.17077669793188,0.6422878979374502,0.3421190004036747,0.9861653522823223,0.009026579167889215,0.5348068280908378,0.3689425264007313,0.2771894005213689,71.155183596273,69.29633553701255,155.87076796890577,0.9792480284234834,1.180938755012938,71.95919117647762,0.885865180036518,0.5407464576548614,0.9805601140413506,0.012071342767479804,0.5624134362958718,0.7018104540898402,0.6924837659229077,73.385802814169,103.13684802928633,210.99315123629435,0.9708401710620258,1.9567076563086199,71.35982169672745,0.8523259748421168,0.4979405372982327,0.9814294474755475,0.011722251971331898,0.55309097453499,0.6496620842482178,0.5871880350483933,72.7100882088678,96.77918520326354,199.77492791874437,0.9721441712133212,1.7899410938316012 +UMLCN0398,L,isobutyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC(C)C,Esters,,C22H44O2,BioCompoundML (2016),Unknown,PubChem,,99,0,-3.740499999999999,13.991340249999993,79.39359999999999,69.66289199999994,0,0,68,24,44,0,22,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3730.453479999997,3994.4862590000043,4720.766900000014,4549.80782600003,4225.956993000035,4188.058925000028,3738.069658000001,3456.7437449999998,3259.9870160000005,11117.83814737493,14426.937661516888,19516.578011533973,20717.36600714583,19438.750540701316,18550.055559082106,17868.980317446632,16743.10512190994,15736.306776954832,488.2071999999995,494.08778000000046,943.061384000001,1299.4085600000026,1292.645916000004,1116.2238920000027,1122.5345200000027,1083.444180000003,1020.5592800000028,82.20517581335578,108.79196963999988,159.92515167807423,179.88028399882663,168.80514277446767,158.72951311063846,155.04654723094043,148.15176531373214,139.13023645433591,11296.755094651957,9733.309206412598,20303.154620476413,29934.97469362492,30112.547886856933,25572.026420651287,25694.63148716354,25323.582496239032,23844.627341200456,160.05555555555554,139.66666666666669,245.4166666666667,306.13888888888886,305.0,278.24999999999994,282.0,239.75,227.50000000000003,54.859609999999954,59.619197895522454,36.31359153846165,24.998944098901266,23.477538850000197,26.846531570512997,23.96198498717949,22.593096372549017,22.638798722222226,163.4976198143372,215.32742778383414,150.12752316564595,113.83168135794412,107.99305855945175,118.91061255821863,114.5447456246579,109.4320596203264,109.27990817329744,7.179517647058816,7.374444477611947,7.254318338461546,7.139607472527486,7.1813662000000225,7.155281358974376,7.19573410256412,7.08133450980394,7.087217222222241,1.2088996443140556,1.6237607408955206,1.2301934744467249,0.9883532087847617,0.9378063487470426,1.017496878914349,0.9938881232752592,0.9683121915930205,0.9661821975995549,166.12875139194054,145.27327173750146,156.17811246520318,164.47788293200506,167.29193270476074,163.9232462862262,164.7091761997663,165.51361108652964,165.58768986944762,2.35375816993464,2.084577114427861,1.8878205128205132,1.6820818070818069,1.6944444444444444,1.7836538461538458,1.8076923076923077,1.5669934640522876,1.5798611111111114,0.3334025536232361,-0.16553982205059045,0.018109848758596905,0.015501555900731906,-0.0669558601392166,0.060160474704746475,-0.035079956180265603,0.004061826839693374,2.0661147754007497E-4,2024.5283261176514,-21.106973968852884,-524.5914964013798,-86.23796425605435,121.38793021799258,8.920543671280281,-445.88208968165884,9.00105088235139,8.002814809686722,3335.035835038237,-155.6352833439583,-1219.4088917265306,-402.89915531990704,568.3532664533905,-99.40213231067031,-431.58385579846674,6.542734917017164,6.409711770240342,2.3306437647058766,0.06091017301036221,0.8339358615916792,0.057937217993081554,-0.4767942006920489,-0.015597342560554965,-0.5747305190311512,-0.026752941176458156,-0.03470538408303441,14.837913026831517,-1.0407784301547445,-5.606212377614378,-2.56322360626004,3.33708447150011,-0.8465449313225177,-0.9391254903934017,-0.025260434773602514,-0.025569352617369256,81.42059787353165,-6.234129318107801,-30.269191181424482,-15.239637003892426,19.295451014715297,-5.320863993668262,-3.5821922686140084,-0.24794604509847318,-0.2529161458054716,43.57026143790853,0.09090253748558441,11.766003460207626,1.0161956939638526,-5.948241061130307,4.936851211072664,-12.254325259515536,-0.7463235294117689,-0.9282006920415271,0.004902978729753473,-0.0024707436126953797,1.3930652891228388E-4,8.517338406995553E-5,-3.7197700077342555E-4,3.856440686201697E-4,-2.2487151397606155E-4,2.6547887841133164E-5,1.4348019273616317E-6,29.77247538408311,-0.3150294622216848,-4.035319203087537,-0.4738349684398591,0.6743773900999588,0.05718297225179668,-2.858218523600377,0.05883039792386529,0.05557510284504668,49.04464463291525,-2.322914676775497,-9.38006839789639,-2.213731622636852,3.1575181469632803,-0.6371931558376301,-2.7665631781952995,0.042762973313837674,0.04451188729333571,0.03427417301038054,9.091070598561524E-4,0.006414891243012917,3.183363625993492E-4,-0.0026488566705113827,-9.99829651317626E-5,-0.003684169993789431,-1.7485582468273304E-4,-2.4100961168773896E-4,0.2182046033357576,-0.015534006420220067,-0.043124710597033676,-0.01408364618824198,0.01853935817500061,-0.005426570072580242,-0.006020035194829498,-1.6510088087321904E-4,-1.7756494873173094E-4,1.197361733434289,-0.09304670624041493,-0.2328399321648037,-0.08373426925215618,0.10719695008175165,-0.0341081025235145,-0.0229627709526539,-0.0016205623862645306,-0.0017563621236491083,0.6407391387927724,0.0013567542908296181,0.09050771892467405,0.005583492823977212,-0.03304578367294615,0.03164648212226067,-0.07855336704817652,-0.004877931564782803,-0.006445838139177272,-0.5039270510601647,0.02841263170629508,0.017371762914875657,-0.07586755343564971,0.07865505642109125,-0.04586426463803329,0.005414644709761575,2.926388235491642E-4,-0.010581231763822538,-0.1355385855905314,-0.015915202290944865,0.02265103527335496,0.0019206656992440643,-0.09600204506772156,0.0019759995487414884,0.001866660468372009,-0.04736326859256154,-0.19125571136468505,-0.04513707131952902,0.0643804878309625,-0.012992104654990032,-0.05640907786981049,8.719193223624303E-4,9.075789543689041E-4,0.026524551287665298,0.18716399783213014,0.009287937086124161,-0.07728433505045124,-0.0029171517895262124,-0.10749114187740182,-0.005101678883098794,-0.0070318140605389635,-0.0711900949051815,-0.19763428423495016,-0.0645433046459202,0.08496318543048138,-0.024869182361978975,-0.027588946808634916,-7.56633353968127E-4,-8.137543663939423E-4,-0.07770977110946842,-0.19446080968110538,-0.06993230776800294,0.08952762318058045,-0.02848604692391929,-0.01917780593070381,-0.0013534442775421025,-0.0014668600762874615,0.0021174830889617606,0.14125517460225887,0.008714143535069772,-0.05157447340458752,0.04939058691168195,-0.12259804699332127,-0.007612975810988225,-0.010060003750234433,1.6140674988302977,1.0008245710601542,0.9819954288982858,1.3052165905633593,1.0564857791029083,1.0529783311004937,0.7423634556517827,0.7746131892557675,1.327375062789729,1.2652548748880157,1.000962624858984,0.964574145206417,0.999162177408095,1.114974879365911,0.9386352600590495,0.9416531023633231,1.5005764120818161,1.3777063116578456,1.0389706728303907,0.8656929548558782,1.0214663360849363,1.0438959472236566,0.9723723181229302,0.9703296017176222,0.7544902514185439,0.727412384567269,0.9226450363898803,1.399467946941286,0.9720465335008384,1.3397087396180678,0.7213280598934422,0.7569419822225576,1.5683789374284647,1.4032299897601272,1.0591344907245075,0.8390075214266685,1.0354000302642667,1.0149148459631454,0.9737917561350843,0.9715361240279528,1.579582563854358,1.4023805918783616,1.063914028952197,0.8378915345597331,1.0391274885059323,1.0098093539861606,0.9707973915681584,0.9689909141460654,0.6267016688543029,0.5102819887781446,0.8033737685528416,1.1916345813279987,1.1105944121507585,1.7603578589046416,0.7043815238452399,0.7430659728733041,369.1136876294887,184.8068438147443,295.52833471478186,369.57202096282185,15.398834206784244,184.8068438147443,0.49999999999991473,0.15068056819398956,0.006278357008082898,-4.542223500720159,321.3014581344699,13.387560755602912,13.853711530428384,369.13956875403437,184.8190499561158,295.54404858745477,369.59655564904847,15.399856485377022,184.8190499561158,0.49853115819723826,0.15055264045802258,0.0062730266857509405,-4.544261965112264,321.80497355884455,13.408540564951856,13.857469655696207,392.24684720617137,195.72442912502754,309.87656786774824,391.5153573297314,16.31313988873881,195.72442912502754,-0.797988956116285,0.036638695013110956,0.0015266122922129564,-7.935960855035722,240.63622378650126,10.026509324437553,13.159887235828261,369.1667319230464,184.83186076174195,295.56054165785764,369.62230572344737,15.400929405143643,184.83186076174195,0.4969896004374732,0.15041837637684025,0.00626743234903501,-4.546403259776461,322.33792012772005,13.430746671988336,13.861441047974843,417.0891513833783,207.4622814273498,325.98759597591226,415.1049452320895,17.296039384670394,207.4622814273498,-2.1645885286786495,0.08445752334564127,0.003519063472735053,-5.931615727934921,253.5962687873677,10.566511199473654,13.285784422731044,371.8263639715043,186.08631617163047,297.17939537369006,372.1437766456146,15.505990693567275,186.08631617163047,0.3462683717566222,0.13727548484641416,0.00571981186860059,-4.765837281331605,418.31589506913673,17.42982896121403,14.486968504644555,387.4223530707873,193.80456084352244,312.56786246647215,388.2367605383198,16.176531689096656,193.80456084352244,1.085876623376521,0.21466331910312297,0.008944304962630123,-3.692842646178228,232.08681565165148,9.670283985485478,13.07306761695356,0,11.890000000000002,15.99592571775816,-0.3154342284074356,0.2615416697717986,4.350480841877712,7.638894678257805,23.0,67.0,66.0,66.0,22.0,1.0,1.0,0.0,0.0,1.0,50.975107999999985,3.59209413570946,3.5381606478353342,3.461111311082785,3.3702456226148025,3.2769031109258786,3.133766887663324,2.949917336769426,2.7433603037575547,1.9560358677090453,1.9076219202336573,1.8405765325052919,1.8158863027901553,1.7190322547824555,1.59346507706486,1.4542936984215906,1.3123690171178657,3.583051631219659,3.5321416134277595,3.4623064224215954,3.3960497442745576,3.2862595179811267,3.132677935108322,2.9510739009627764,2.752363529222631,1.8992674665315585,1.8545392914932157,1.8007416733624828,1.7529184215213567,1.657660408348741,1.5342468717487727,1.3963413076897715,1.2562459130882764,3.710006457771905,3.6727538955069283,3.609594588189327,3.5337229615595387,3.4368847875206545,3.3042081787594038,3.144133779397179,2.969328227780354,1.7256676904207546,1.6722945185459008,1.602036748019879,1.5566941781040358,1.449115132725083,1.3040516533946085,1.1392879655054067,0.9664191472093834,3.6016222032915293,3.545929995906918,3.4713403828371057,3.4171422848827495,3.304143900201376,3.1474798003132607,2.9657956569509953,2.7697747771000327,1.8649982101276288,1.8276372104416057,1.7757041081065945,1.712417738492693,1.6202572364999106,1.5002800795542153,1.3623028407448836,1.21750191765989,3.7626705234783175,3.718911371943941,3.6608166811017746,3.597911939935183,3.4984297298547435,3.365765920047225,3.2123183375786195,3.049426420945596,1.6722642894214934,1.6207397393675465,1.553449659548317,1.4966395130280983,1.3889887828100504,1.242288930837628,1.072862045967622,0.8918422872859135,5.137660241957725,3.61050204993466,3.6025526719435375,3.5444442625927204,3.443801469408294,3.306730947902491,3.150570733444216,3.060286989207749,1.8272868923700685,1.7661734823660973,1.6691697783755117,1.610926450087969,1.5346646772924146,1.3812932479306506,1.2113372536430815,1.0355028251609741,0,0,1,0,0,4,16,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696923425058676,0.0,0.0,0.0,0.46717385556274205,0.0,0.0,0.0,0.696923425058676,0.5731929314592376,0.8076775358252054,0.24999999999999997,0.1663151596484467,0.19973579050599732,17.88262259973711,11.663902460147016,8.814791437730165,5.537293031334987,3.626308320881552,2.6546694075041235,1.553044131810806,1.0356680370853948,0.7451092749890463,0.5071261939194355,0.3672829765720902,0.25169513778795394,0.17268134861340723,0.1264128289287678,0.08628022954504477,0.060921649240317344,16.914662130288665,10.820532425681613,7.776607020315405,4.562108535503354,2.9724396171432876,2.020817330477306,1.2924327678390124,0.8513879743666641,0.7047775887620277,0.47045793155137444,0.3240252925131419,0.207368569795607,0.14154474367348988,0.09622939668939552,0.0718018204355007,0.05008164555098024,35.34980989212292,66.19373634377287,62.658823529411656,63.52000000000008,40.52867784431144,522.9306538922156,0.5198501454723958,0.9734372991731304,0.9214532871972302,0.9341176470588247,0.5960099682986977,7.690156674885523,7.44710000000001,105.34300000000009,189.92745185917207,301.914695302666,379.8549037183442,15.827287654931006,189.92745185917207,0.0982498905140432,0.0040937454380851335,-5.568578742226251,316.83278738059124,13.201366140857969,13.820097960250855,738,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,17.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.642806098097033,-0.015375831222936176,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.868048922340269,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.4203413925757005,0.0,21.512406152555357,0.0,0.0,0.0,0.4398221879948434,0.0,0.0,-0.015375831222936176,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.45917946663705,5.183626631459985,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.183626631459985,-0.015375831222936176,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20700429191888103,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0703265199156955,0.0,0.567037037037037,0.0,0.0,0.0,0.4398221879948434,0.0,0.0,-0.015375831222936176,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.45917946663705,5.183626631459985,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.45917946663705,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.279688352744309,0.0,1.4440504457489864,0.0,0.0,0.0,0.4398221879948434,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.45917946663705,5.183626631459985,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,45.00000000000001,1.8750000000000002,0.5559027777777779,11.45917946663705,0.010503422753643354,-0.015375831222936176,13.331659669224628,1.682042497889603,4.45917946663705,13.126294981345469,1.682042497889603,4.45917946663705,13.126294981345469,11.66666,0.48611,0.0,0.01389,0.46373,0.76389,0.42973,0.46373,0.76389,0.034,0.0,-0.034,0.0,0.63636,0.07793,0.0,0.15714,0.08571,0.0,13.75,0.57292,12.25,0.51042,1.5,0.0625,-10.75,-0.44792,0.0,0.0,32.26517,1.34438,36.55928,4.29411,0.17892,10.61601,0.44233,11.66389,1.04788,0.04366,0.25011,0.01042,0.25011,0.01042,0.0,23.02,2,2,2,2,0,0,0.9545454545454546,1.0827203878670804,1.6231505227748642,2.7074369704110657,3.256141620909617,3.5799463176631536,3.8246482244989415,73.62498637496147,110.37423554869076,184.10571398795247,221.41763022185395,243.43634960109443,260.076079265928,0.17786069765063142,0.26663826377320043,0.44475622127246844,0.5348930590335758,0.5880851203566193,0.6282828042221568,5.00474245338326,4.464312318475476,3.3800258708392743,2.831321220340723,2.5075165235871864,2.2628146167513985,0.17786069765063142,0.26663826377320043,0.44475622127246844,0.5348930590335758,0.5880851203566193,0.6282828042221568,9.123484061109917,15.726143168826852,18.961180804861655,20.81577683574488,22.236408202233704,23.070254063068425,89.80102835834022,68.32756633285143,62.37111987483303,54.366893288772424,48.36451986609412,43.97504931770274,24.0,19.32638888888889,21.0,24,3,18,3.6599999999999997,3.2827999999999973,0.31282279570627786,5.52846156955133,1.430709410597889,0.0,28.42338870952683,4.479465364172266,0.0,0.33333333333333337,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.442,0.426,0.519,0.065,11.114,24.0,22.0,21.0,21.0,18.0,17.0,16.0,15.0,14.0,215.0,3.2188758248682006,3.295836866004329,3.2188758248682006,3.1780538303479458,3.2188758248682006,2.995732273553991,2.9444389791664403,2.8903717578961645,2.833213344056216,2.772588722239781,5.442417710521793,1.069767441860465,0.47619047619047616,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.0,0.8260869565217391,22.0,0.9565217391304348,2,11.0,21.0,0.9090909090909091,2.5,0.8888888888888893,0.375,0.40000000000000013,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407406,0.060000000000000026,0.049586776859504134,0.10869565217391304,0.037037037037037056,0.017045454545454544,0.019047619047619053,0.00793650793650794,0.006802721088435373,0.0055147058823529415,0.0046296296296296285,0.004000000000000002,0.0035419126328217238,0.24107952476628366,189.92745185917207,301.914695302666,379.8549037183442,15.827287654931006,189.92745185917207,0.0982498905140432,0.0040937454380851335,-5.568578742226251,316.83278738059124,13.201366140857969,13.820097960250855,26.3,404.0121151701916,5.584962500721157,4.553876891600541,5.231108616854587,5.942799375126701,6.634633357861686,7.347943823148687,8.047189562170502,8.761080103868347,9.465060106725137,10.179489173338517,113.1631810106947,3.8501476017100584,0.0,4.962844630259907,0.0,6.19644412779452,0.0,7.48605261786314,0.0,8.80941494391005,9.1248914101437,340.33413064800123,5.004913686000018,46.48273939891564,1.9367808082881517,5.423082951851042,5.423082951851042,0.0,2194.0,22.0,10.107000000000003,94.0,1.2442686567164176,2.146762938578362,2.8774509875647434,3.604574002806881,4.937092357906702,5.912423488820795,7.140566998281781,8.26469467658857,9.531467321584003,10.689018627056736,85.72891298617911,86.44342245695793,84.79473929725917,106.95737443519047,153.08982703987692,166.1814103868091,185.04941965147026,213.00202733413755,241.14459276765393,269.5160495315214,294.156018533619,344.27358383447415,358.7965369768662,456.80649534120624,643.9650534060822,750.4593662006141,849.967210156715,980.4870294392622,1111.9424073462917,1241.8681455804035,9.22025370853732,15.638190960706439,20.607969355051086,26.055653177115143,35.457541024266625,42.67618057414784,50.759371223387184,58.800352755388616,67.82699637532214,76.14254236276567,2.1601650099898513,2.769880884210684,3.018968741870484,3.8093102118136764,5.367388539466021,6.342603745081641,7.336583931732554,8.469897630065537,9.630093002055172,10.756887116218898,178.57459451783131,331.8796546956748,469.60034342568343,589.4463625285754,799.9971784255355,959.3646430131924,1169.4586911529154,1353.5038808211702,1565.855080652075,1756.8902734201874,2.663451492537313,4.186363981398999,4.9497493534619075,6.3347377750294465,8.992472540255404,10.812423076328097,11.47471432446158,13.37845392113968,15.506996062230714,17.5559251003206,0.4593163432835817,0.6026980818031523,0.667468594832472,0.8449723756009252,1.1818771254433187,1.3985533211879708,1.6043211779307467,1.8553592402143342,2.1151402367904986,2.3679245520864374,877.6794041787654,1388.0974750834052,27.898432854933983,226.73945104078248,-358.6007122794491,-20.726675979894114,650.9399531379829,1746.6981873628542,48.6251088348281,0.7946979536167833,1.2568578203126246,0.02526073574630165,0.20530204638321647,-0.32469629668552036,-0.01876704284967486,969.3256828128871,1533.0410243647596,30.81155527606562,250.41532495156974,-396.0453881365837,-22.890931758221164,0.1653173558740175,0.19938909236579205,2.713882126445013,0.9880372456455674,1053.5717117910376,50.84714342851031,0.9539602722389211,0.046039727761078814,1579.289696967664,39.74027801824823,11.645387226168129,2005.519284566321,44.78302451338365,12.61078962539855,2908.911656402353,53.93432725456351,14.275023898021649,4.62470614948256,4.62470614948256,22059.542571900307,21932.629283555078,227.12024023137928,1.0057865058814626,97.12715409875885,96.56836071153835,9.404253324170316,14.012359420451,27.063763141185934,0.9314208499167133,12.284850408756027,19.469289996754902,8.131614725003717,88.97426623547773,32.23495054832354,4.531525736488547,17.322764040708144,12.600306069653502,67.26431607588313,5.238919213023585,7.13549300463499,61.61724056324732,8.912950243984959,68.11780365752762,4.050428009741548,10.844333574375032,35.56634143615541,8.069231247111771,60.98788829126344,5.687031226187337,16.60949556583997,25.24935397367968,9.651228146759584,48.286682318825946,5.036996097702299,19.07009712147308,15.541477027430894,9.532310945173894,33.04892032077552,5.333357494600004,1.0474898877164542,19.619596642179776,0.639377924757308,20.788948639203394,0.3617496872683289,1.844589513041122,3.120405866285756,0.73890060539972,18.06404343181552,0.3109635187104521,3.825245849572913,4.948104836695245,0.49686211963288235,14.25082017822049,0.08322701769837917,4.2249472130099175,1.4637979259760237,0.6490487116654879,10.923647238664255,0.1229229165394929,4.883093296694239,0.6056240866532677,0.9139239320537834,7.589401651725909,0.15503033382741974,4.823220169053485,0.31370687647950957,1.2283473939820142,4.685894137431692,0.19691682032138516,3.334007609671585,19.33855939712492,1.8463747289358208,25.59213934188787,2.5010734596101183,2.07033938061429,5.481461584547094,2.0539084262675593,23.147530785383417,0.9095062300033404,3.8830008261740323,13.978370588237034,1.3366830577045574,22.15859812027904,0.4378121239638518,4.7854115617764235,5.314556093387697,1.4566965574013673,18.54536999121115,0.6303014117856895,6.250065699248616,2.741683645719016,1.8707356039347438,13.63142844734124,0.6768443335275813,6.568683888743593,1.626767579861856,2.1718314889451844,8.749948960870796,0.8008447404250282,11.601011774449136,19.619781925593966,8.11825824637991,83.50102652915675,29.01015187960949,4.40205154871983,16.69164451728579,12.147718156722302,64.48936723797955,5.208998444069262,7.037039414278758,57.61634015381619,8.088460144605964,64.45549369514427,3.6465222891951057,10.627696370030206,32.939412130935686,7.36582136209255,57.35164643156644,5.124102372665206,16.178699212983723,23.169562826481805,8.825777028017013,45.16543320341609,4.5701927669928235,18.639477237507883,14.058140843347019,8.76174885200164,30.788412890759712,4.8616485975559405,4.906132044432346,19.231815200985903,2.628892858935315,31.23129146639726,5.203128413487185,2.3287688962405433,7.186993050604535,3.1166225487300063,27.914819057640646,1.335898789938509,4.122251326816354,20.948593158472978,2.1737097507221845,28.41834787245545,0.8163835282216082,5.416948614366894,8.747764328838684,2.2210776956697114,24.511298107250024,1.1651782787594245,7.476606357000925,4.95308693859734,2.7730693024119177,18.433822749582525,1.1760013319438911,8.051531291545361,3.0399303804626356,3.0427055312016313,12.043261062040775,1.3474122241348558,14.835759026867345,19.565064314839635,10.525304214681,119.92980145240956,46.974001469477976,5.499303178517249,21.401120665261388,17.352608516600963,85.83508441977258,7.16020616252935,8.52660801929933,78.33403347560558,12.323076370443982,85.2942365286585,5.728753965803125,13.15133155258127,48.72050229823789,10.959933131970768,76.6120015708403,8.023706225364814,20.435769846593924,35.902878344471155,13.044267126481053,61.30153433500143,6.956033899726178,23.714476055328287,22.087155767191554,12.696718659027296,42.386804199111275,7.258439777736,8.03931837883495,19.00102130006053,6.05811358511592,58.9334215925971,14.99880094123684,3.620105289341066,12.60656734551115,10.635535154825792,54.032120973859435,5.506030957861795,6.026924448390059,37.539737962666095,4.290696864462912,46.13769227929968,1.7917145619775192,8.746772936903577,21.248273873986577,4.100187229467768,38.97547575349351,2.531715027401115,12.912426404675038,14.242314417216171,5.001294421628939,29.625043518489395,2.3644052863981004,14.891454826036908,7.388593754355966,5.204437105168948,19.788247788344705,2.590167156489292,67.23025727326714,0.9457522346165141,0.5666538359112492,0.977999018412133,0.01375786431035746,0.5635146133113305,0.4905074320239646,0.47715544113664254,68.74266334379492,102.21536335479962,206.9876716402291,0.9669985276181996,1.5311774864719376,64.84602426380872,0.5249891616417439,0.14724462744644973,0.9897397487499521,0.008012868126284553,0.52432235690535,0.15000875748999054,0.03361030599059175,65.51825805289691,43.66899043168444,114.19996505661483,0.9846096231249281,0.7079414203859323,65.55207642120388,0.6608862014609787,0.3148391743016613,0.9853335695843307,0.009933985245415295,0.5357411515242723,0.23881252738335967,0.14873127195796154,66.52780179696653,64.16889726407578,144.33630747263643,0.978000354376496,0.9232849508655935,67.21405695923255,0.9401521008414041,0.5510351702040681,0.9782958740959061,0.013683847737886131,0.5632439645562038,0.4851313974349011,0.4546002494446754,68.70524423027803,100.74680304583777,204.27275143966463,0.9674438111438591,1.5029756114357804,65.954527002253,0.7331246503887459,0.39263820508327235,0.9832176805159948,0.010929062053006597,0.5423343925990959,0.29357662782888494,0.22821101732444693,67.08028985772502,74.53700939619361,160.6024910174525,0.9748265207739921,1.0641220377524276,67.46449608800916,0.9846037596496172,0.5976984363416828,0.9770836268253447,0.014259948094910721,0.5674477488035332,0.5320230967148855,0.5314407577533939,69.04679828400046,107.33771643906208,216.08710941855622,0.9656254402380171,1.6309116032718125,67.32962335800386,0.9490110403087134,0.5539651367995629,0.9781647622309891,0.013787232310245878,0.5651825776032214,0.4935938025019641,0.4591900787367578,68.83259953511214,101.72053895152166,205.94960282043948,0.9672471433464837,1.5179664588419433 +UMLCN0399,L,isopropyl decanoate,CCCCCCCCCC(=O)OC(C)C,Esters,,C13H26O2,BioCompoundML (2016),Unknown,PubChem,,46.6,0,-1.9688000000000008,3.876173440000003,52.3161,41.82061799999997,0,0,41,15,26,0,13,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2413.7872389999975,2478.181586000001,3021.270031,2681.115000999997,2623.1496689999967,2164.0158259999976,1882.6899129999958,1685.9331839999963,1489.1764549999968,6746.678631874182,8550.026451103575,11206.589592644534,11566.83502929237,10775.422499319557,9814.593557805687,8688.718362268903,7681.920017313765,6675.121672358643,299.4102040000001,298.1057600000001,558.6356440000004,739.4270680000013,673.6108680000009,619.4553200000005,580.3649800000002,517.4800799999998,454.59517999999974,49.10204352607405,63.64807206000002,89.8651566984329,97.35389983395984,90.55879837911084,82.87431635577185,75.97953443856392,66.95800557916805,57.93647671977209,6827.088153405475,5835.954142770401,11979.822073125582,16795.179207166653,15404.644048560864,13862.990246854872,13491.941255930367,12012.98610089177,10534.030945853174,121.80555555555554,92.08333333333334,165.80555555555563,194.0,189.25000000000006,184.00000000000003,141.75,129.5,117.24999999999999,58.87285948780482,61.95453965000003,39.75355303947369,26.54569307920789,28.205910419354804,25.762093166666638,23.24308534567896,23.415738666666616,23.637721507936458,164.55313736278492,213.75066127758936,147.455126219007,114.52311910190465,115.86475805719954,116.84039949768675,107.26812792924571,106.69333357380229,105.954312259661,7.302687902439026,7.452644000000002,7.350469000000006,7.321060079207934,7.243127612903235,7.374468095238101,7.164999753086422,7.187223333333331,7.215796507936504,1.1976108177091231,1.5912018015000005,1.1824362723478012,0.963899998356038,0.9737505202054929,0.9865990042353792,0.9380189436859743,0.9299722997106673,0.919626614599557,166.51434520501158,145.89885356926,157.62923780428397,166.288903041254,165.64133385549314,165.0355981768437,166.56717599914035,166.84702917905236,167.20684041036785,2.9708672086720864,2.3020833333333335,2.181652046783627,1.9207920792079207,2.0349462365591404,2.1904761904761907,1.75,1.7986111111111112,1.861111111111111,0.2901476232854717,-0.171676961293355,0.08443883565123443,-0.08029691259748528,0.050906735773841263,-0.036083567545100934,0.0045115930826875525,-1.8696833778281846E-4,-0.0012884034514551116,1293.16543897561,-18.95825139084024,-105.21479202796098,-150.6524432813813,143.10700151873905,-472.1838496085681,11.496207828673835,8.75031633551497,6.004424842356048,1983.6094831360215,-153.58957869931274,-622.8282253703563,16.684648032600116,136.36828000678497,-436.84815083503173,10.393974515326512,10.02806194501435,9.662149374702075,2.148779512195123,0.04560828078524977,1.0024082212968484,-0.5840578227245679,-0.05125684473527686,-0.7518436835217104,-0.07171464604402383,-0.09358977751338637,-0.11546490898274903,8.797830263100245,-1.0493481150968953,-3.493933952195428,0.6786231763716419,0.1172534379342508,-0.9380302941244001,-0.042957547463266244,-0.043807301246480856,-0.04465705502969591,48.594392461270914,-6.319828068364122,-19.737696202920926,4.486941684360885,-0.27596645640300177,-3.6167486677059233,-0.42831692791268305,-0.44198840064865474,-0.4556598733846263,41.16531165311661,-0.808298631766805,15.16308083812544,-7.278504858219345,3.324211778703156,-16.82242712671031,-1.8631766805472874,-2.363474122546098,-2.8637715645449084,0.007076771299645652,-0.004291924032333875,0.001111037311200453,-7.950189366087651E-4,5.473842556327018E-4,-4.2956628029882065E-4,5.569868003317966E-5,-2.5967824692058117E-6,-2.045084843579542E-5,31.540620462819756,-0.473956284771006,-1.3844051582626444,-1.491608349320607,1.5387849625670866,-5.621236304863906,0.14192849171202265,0.12153217132659681,0.09530833083104838,48.38071910087857,-3.8397394674828185,-8.19510822855732,0.16519453497623876,1.4663255914708062,-5.200573224226568,0.12832067302872238,0.1392786381251993,0.15336745039209643,0.052409256395003,0.0011402070196312442,0.013189581859169058,-0.005782750720045226,-5.511488681212566E-4,-0.008950520041925123,-8.853660005435041E-4,-0.0012998580210192552,-0.0018327763330595083,0.21458122592927426,-0.026233702877422382,-0.04597281516046616,0.006719041350214276,0.0012607896552069978,-0.011167027311004763,-5.303400921390895E-4,-6.084347395344564E-4,-7.088421433285066E-4,1.1852290844212419,-0.15799570170910304,-0.25970652898580165,0.04442516519169193,-0.0029673812516451802,-0.04305653175840385,-0.0052878633075639885,-0.006138727786786872,-0.007232696402930576,1.0040319915394296,-0.020207465794170126,0.1995142215542821,-0.0720644045368252,0.035744212674227484,-0.20026698960369416,-0.023002181241324537,-0.032826029479806916,-0.04545669150071283,-0.6064805333682014,0.15699776976770252,-0.11234204172297801,0.07734943414945604,-0.06070088492478624,0.007870634456700417,-3.669445230391772E-4,-0.0028898557788379336,-0.015026853556343575,-0.04389276868838355,-0.047291661591721774,0.04878740303733131,-0.1782221218980219,0.0044998636561169965,0.0038531953253696945,0.0030217646144088486,-0.07936507639492879,-0.16938789627061374,0.0034144704346330997,0.030308056984712707,-0.10749268140026733,0.0026523101643272625,0.0028788046294803845,0.003170011798962933,0.02175583280628187,0.25166512113357575,-0.11033834703666177,-0.010516250487648713,-0.17078128287999364,-0.016893313537413975,-0.0248020695279926,-0.03497047008730801,-0.12225534999072558,-0.21424434948292612,0.03131234487600917,0.0058755823103674165,-0.052041026714449864,-0.002471512080529771,-0.0028354518756221283,-0.003303374469312335,-0.13330393574188554,-0.21911926765838582,0.03748234478517302,-0.0025036351964769572,-0.03632760309744571,-0.0044614694130174,-0.005179359726718543,-0.006102361558620009,-0.020126316655694487,0.19871301236963318,-0.07177500831057447,0.035600671069676536,-0.19946275745321151,-0.022909809084924175,-0.0326942067149439,-0.045274146524969264,1.6585321370986295,0.8800779831179156,1.3584489957966712,1.076251634875719,1.1630117462198903,0.7749449521605429,0.8540192949965555,0.950700145362318,1.2355065213199958,1.118061251790812,1.055897240569244,0.9222419865980924,1.2220815869906412,0.9174235819939657,0.9280794272933215,0.9417797998210646,1.5014696248801547,1.313623475479554,0.9476334610946622,0.9388357090871661,1.0812368288552774,0.9468664348572718,0.9391204971170601,0.9291614343082167,0.7190146737864572,0.6669009778629205,1.3503442594925656,0.9798862833262503,1.5270178923815074,0.7950785017102256,0.8822000221869184,0.9942134056569517,1.6155860340533883,1.3851567523649124,0.9157794443077495,0.9615365622466033,1.0262522649395647,0.9482009287335856,0.9396209323206788,0.9285895083612267,1.6341050586623616,1.3934549649553383,0.9145148473660412,0.9693880085496501,1.0187863284616225,0.945395439345641,0.9385688738001996,0.9297918609560607,0.6167544437129677,0.45352725130799265,0.9859893494286868,1.135381936333324,2.0195382300385547,0.7927486406749062,0.8850943603247734,1.0038245713031737,133.60514455260764,67.05257227630383,107.00353329879296,134.038477885941,8.935898525729401,67.05257227630383,0.5000000000000284,0.20519117602468978,0.01367941173497932,-2.3757197526586875,100.60004697977347,6.706669798651564,6.916729086991935,133.62398762036366,67.06125938928055,107.01502624604703,134.0560479574681,8.937069863831208,67.06125938928055,0.4985311581974372,0.20500267559657304,0.013666845039771535,-2.3770983723574517,100.56928023926653,6.7046186826177685,6.916270268425922,150.47466043661353,74.83833574024868,117.7199097060302,149.78307000797952,9.98553800053197,74.83833574024868,-0.797988956116157,0.04030181796235982,0.002686787864157321,-4.81703805047764,104.01991665779005,6.934661110519337,6.966873580696922,133.64376421242008,67.07037690642896,107.02708970206685,134.0744885327996,8.93829923551997,67.07037690642896,0.49698960043782847,0.20480484411444244,0.013653656274296162,-2.3785465997909383,100.53712435596509,6.702474957064339,6.915790583798668,168.60327022914416,83.2193408502329,130.1866659730944,166.72729350428958,11.11515290028597,83.2193408502329,-2.1645885286783653,0.12174680014076383,0.00811645334271759,-3.15871769936431,115.45804821382971,7.697203214255314,7.123360867580992,135.58069901813292,67.96348369494476,108.21419279655115,135.88079827365527,9.058719884910353,67.96348369494476,0.34626837175659375,0.18546815157758756,0.012364543438505838,-2.5273081519255314,97.98216292235392,6.532144194823595,6.877178176662257,141.4354132133684,70.90182273801888,115.21093770936201,142.2052540488321,9.480350269922138,70.90182273801888,1.0884615384615586,0.3029812842087829,0.020198752280585527,-1.7911263655025285,426.4505528378783,28.430036855858553,9.083244634704554,0,11.890000000000002,15.995921174474487,-0.31290473610588465,0.2617488527786478,4.348036862866501,7.5447493208549306,14.0,40.0,39.0,39.0,13.0,1.0,1.0,0.0,0.0,1.0,31.29738199999999,3.5897077229406156,3.4643383415031375,3.28001241735788,3.1043930773810406,2.8223977063576164,2.4496944604012336,2.3335527931030513,2.0587921561157603,1.9273163313657018,1.8039260592629904,1.7398512070270986,1.5804957401654092,1.3360028145950855,1.2496297225843562,1.0852641430738037,0.8667809428149866,3.556462798984257,3.433869130132311,3.2929357221625937,3.104538575883684,2.804048705067919,2.446863179375548,2.405454587841286,2.0840846872318717,1.8743995443183936,1.7738913403157777,1.6851394942789264,1.518198312734595,1.2805532249104514,1.1345406859483511,1.0279440937012483,0.7997478907164398,3.696045619391471,3.5995679631013053,3.453535489342353,3.277977719207191,3.0206921813707615,2.710474977888132,2.7042369872335192,2.401023733482771,1.6948970315193,1.5652918863067529,1.4625669944937283,1.2828798603618612,1.0004344105597636,0.7603185604308993,0.6918407149023277,0.4025369677998358,3.570214528396986,3.4344806215497856,3.3088349562615442,3.1214492909963782,2.814363610145166,2.4624069302636586,2.457539916041694,2.1136462409396435,1.8468458106654475,1.7610768427069563,1.6464474676985736,1.4805400738214152,1.249858358583792,1.058262670532712,0.9919559676324377,0.7484031177587074,3.740138881734083,3.639244474355098,3.5191958925714104,3.343321373249911,3.0873572172507866,2.8389820851496474,2.7973732317971223,2.518440214914961,1.6438639366976875,1.5218465187708397,1.401766880546172,1.2180671786880068,0.9327881663554841,0.6313372621875653,0.6092464438624006,0.2942797168408164,5.026937741784613,3.5618192011073835,3.537916451132273,3.3650963362997524,3.0824327032704204,2.7541388173732746,2.688061408270697,2.5633327096443086,1.812010591739615,1.6388329569920923,1.4957821800995825,1.36666443544404,1.0673798254704436,0.8309185511278403,0.7660440105359329,0.5023152781217101,0,0,1,0,0,3,9,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696923425058676,0.0,0.0,0.0,0.2946278254943948,0.0,0.0,0.0,0.6064930722941141,0.9978909578906802,0.7056154632092396,0.1935384877364132,0.2530062812754532,0.178902457172664,11.518661569058182,7.163902460147016,5.644716304189863,3.1742502635051637,2.3724950453354148,1.219274001554824,0.7737685669755547,0.484637000777412,0.7679107712705454,0.5117073185819297,0.3763144202793242,0.2441730971927049,0.18249961887195498,0.1219274001554824,0.08597428521950608,0.0605796250971765,10.550701099609734,6.359311261018453,4.409934731666205,2.35160234728316,1.548261625114437,0.9017449124253456,0.5492415948281129,0.32587245621267286,0.7033800733073156,0.4542365186441752,0.293995648777747,0.18089248825255078,0.11909704808572592,0.09017449124253456,0.06102684386979032,0.04073405702658411,21.473359658050043,40.203204661325586,38.12941176470587,38.68,24.341687425149725,315.6763580838324,0.5237404794646352,0.9805659673494045,0.9299856527977042,0.9434146341463414,0.5936996932963348,7.699423367898351,4.078700000000004,63.83800000000006,70.91293849427578,111.90222421454918,141.82587698855156,9.455058465903438,70.91293849427578,0.12686416104826076,0.008457610736550717,-3.096957544495411,95.12577370323287,6.341718246882191,6.83279992453695,258,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,8.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.222810325346853,-0.04300167443520575,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.9398893692386663,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.007160014258229,0.0,9.283351515307684,0.0,0.0,0.0,0.02967981952244192,0.0,0.0,-0.04300167443520575,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.16643372435445,5.056376600992402,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.056376600992402,-0.04300167443520575,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22109504132231406,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.891516096988229,0.0,0.5892438271604937,0.0,0.0,0.0,0.02967981952244192,0.0,0.0,-0.04300167443520575,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.16643372435445,5.056376600992402,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.16643372435445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2241278202817707,0.0,1.3426498890419345,0.0,0.0,0.0,0.02967981952244192,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.16643372435445,5.056376600992402,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,31.499999999999996,2.0999999999999996,0.5559027777777779,11.16643372435445,0.06002336157909749,-0.04300167443520575,7.08834571593026,1.7096683411018725,4.16643372435445,11.893876291257246,1.7096683411018725,4.16643372435445,11.893876291257246,7.16666,0.47778,0.0,0.02222,0.48374,0.80222,0.42766,0.48374,0.80222,0.05608,0.0,-0.05608,0.0,0.59557,0.11872,0.0,0.25581,0.13954,0.0,9.25,0.61667,7.75,0.51667,1.5,0.1,-6.25,-0.41667,0.0,0.0,16.50889,1.10059,20.17918,3.67029,0.24469,6.11904,0.40794,7.16389,1.04485,0.06966,0.25011,0.01667,0.25011,0.01667,0.0,14.02,2,2,2,2,0,0,0.9230769230769231,1.1546947117521669,1.7815079892952768,2.9809194583687164,3.6931902739466818,3.957940346441154,3.8081425549758787,47.342483181838844,73.04182756110635,122.21769779311737,151.42080123181395,162.2755542040873,156.13384475401102,0.2155265521933986,0.3325227618434051,0.5563958046136059,0.689342869796362,0.7387591092031403,0.7107989902278782,4.202857292865917,3.576044015322807,2.3766325462493674,1.664361730671402,1.39961165817693,1.549409449642205,0.2155265521933986,0.3325227618434051,0.5563958046136059,0.689342869796362,0.7387591092031403,0.7107989902278782,10.12501148078941,17.841644695209173,21.945065049460148,23.96447755568576,24.767502962945112,22.040170816661167,55.218571421802295,38.53274266582137,32.74004181153084,26.498832399529544,24.43365452973609,30.249329053260468,15.0,10.515555555555556,11.928994082840237,15,3,10,2.6699999999999995,2.0147000000000013,0.454280148208035,4.166111102484239,1.934215977232756,0.0,11.24058362962237,3.3504576678889904,0.0,0.4999999999999999,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.442,0.426,0.519,0.065,6.623,15.0,13.0,13.0,10.0,9.0,8.0,7.0,6.0,5.0,115.0,2.772588722239781,2.8903717578961645,2.772588722239781,2.833213344056216,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,4.867534450455582,1.1217391304347826,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.7142857142857143,13.0,0.9285714285714286,1,6.0,12.0,1.0,2.5,0.666666666666667,0.625,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407406,0.060000000000000026,0.03305785123966942,0.17857142857142858,0.04444444444444447,0.04807692307692308,0.01846153846153847,0.01666666666666667,0.013605442176870746,0.01171875,0.01058201058201058,0.010000000000000004,0.006611570247933884,0.36799803348707577,70.91293849427578,111.90222421454918,141.82587698855156,9.455058465903438,70.91293849427578,0.12686416104826076,0.008457610736550717,-3.096957544495411,95.12577370323287,6.341718246882191,6.83279992453695,26.3,248.34825353738904,4.906890595608519,4.07753744390572,4.74493212836325,5.476463551931511,6.159095388491933,6.898714534329988,7.5883236773352225,8.332067707289548,9.025816391627028,9.77229627684378,91.07524710011799,3.367295829986474,0.0,4.48863636973214,0.0,5.739792912179234,0.0,7.057036981697891,0.0,8.413830678421084,8.71768205216564,214.193280072,5.224226343219512,28.484203893197606,1.8989469262131737,5.347809189845159,5.347809189845159,0.0,512.0,13.0,5.359999999999999,58.0,1.2406249999999999,2.1368584004679168,2.8694748246612485,3.6056358591335522,4.833085959175651,5.787101250641129,7.0041650313946775,8.119790591742266,9.307242741391518,10.427151740080294,88.09638656337498,94.0153281005464,87.55665926470296,122.35745425576606,143.48735984835199,158.77985120296333,187.394666432948,217.13112000528463,247.35060061165507,279.66241047472414,290.1168424276861,336.61483129193954,357.235842517428,479.1890450556606,614.8918525134077,689.3426521641726,811.2256328516182,928.2521315849358,1040.913922772401,1142.9477290451243,9.295112654300004,15.79885995040642,21.060400137126447,26.25071676211362,35.59344351439055,41.6937335817484,50.58446113234833,58.8565484944614,67.82030680127292,76.5323883311816,2.104871416569499,2.6474342236424038,2.9295441824787756,3.9006256378490174,5.08324865549497,5.84876067782003,6.896462640667497,7.873374105298693,8.802617343216086,9.596921824405781,178.97176182222077,333.5240523224689,473.58909585513453,584.9263150447262,788.5624705420165,950.7356195036709,1156.9671700635597,1344.8790589400342,1549.0471398943284,1744.2311338381273,2.928060416666666,4.86529496845093,5.607868708539748,7.464270868718085,10.37500359535116,10.460544141574623,12.977942077592955,15.513996982626374,18.610099843649277,22.91001431812631,0.4563961874999999,0.5951704642477451,0.6666318878720502,0.8783457655284416,1.15282853068985,1.3086131083420538,1.5555458265236286,1.791507418609074,2.0285938637399408,2.2501338583686135,560.1353345349307,608.5073614645266,15.871931112562313,220.95937052587504,-240.04092450478706,-20.208475828874068,339.1759640090557,848.5482859693137,36.08040694143638,0.7171157747015148,0.7790442791660667,0.020320111005395613,0.28288422529848556,-0.30731347037629797,-0.025871991831388625,437.5187439226973,475.3018780304634,12.397481351112283,172.59019435132961,-187.4946951285897,-15.784733467282807,0.2408917845297556,0.2879742307983295,0.6363606287726201,3.4937023148127513,743.480972543074,37.61373251773152,0.95184485021595,0.0481551497840501,1020.5555746523144,31.94613551984519,10.068054391529985,1272.4185127787935,35.67097577553484,10.836191208674139,1863.725660212634,43.170889036625525,12.306295189454953,3.464712841971256,3.464712841971256,4700.472045314587,4616.684047631178,154.65197640377028,1.0181489564412365,30.39386986586221,29.852085663475734,6.627577701431188,8.108225633110866,15.893391788920907,0.9601565753200583,7.264640446906953,10.932626241525087,5.138630962398787,42.35237869339039,17.31153410286665,3.676692419358808,9.081662407309437,9.154689196231022,29.30064282998284,3.9056320535226967,4.828347342583465,22.515193122203204,4.065325927834038,22.53398160718585,3.8776730831908717,7.475513431357,11.600518089492487,3.4568011733321593,8.235043638988275,4.0653443354786685,8.330310069771365,6.1571889549973315,3.70738087176936,1.2728248513915255,1.6827561874736743,5.468797801133066,7.38771262218842,1.591869151883893,3.102193587085755,0.0020773473258863806,0.6261784530586709,11.083319764725253,0.3423782781334988,10.881158087505629,0.362563469858783,1.7635898661292697,1.919773065280629,0.589449479672894,8.424301730740169,0.11969701343101506,2.764393825736868,2.415642449929497,0.3184835907404088,5.223708783767998,0.08634232562310314,2.8910946885541007,0.7672492633714679,0.39784562970787424,2.108414275961797,0.11297911415423556,3.2026888542841427,0.22463358796654723,0.6683343021284937,0.027350298302664226,0.06662488984638748,1.8198307641972535,0.3917896710047752,0.5145132657672593,0.024464476024171084,1.3208082860678661E-4,1.9739629405765922,10.802255959023276,1.0732137721725257,12.80983965994646,1.5814529546862695,1.8620273368005256,3.0664321313162257,1.5416559524110471,10.487070143327255,0.523503506103093,2.6206702743538375,5.367773558211678,0.6836391186878976,7.539205395432154,0.43626272708264574,2.9818275489147927,2.223360408856098,0.7028813713290263,2.900606938628516,0.515075715866499,3.5916406011096496,0.9085402698791032,1.052298456619138,0.13641235145427172,0.2193890343906536,2.4555278721440277,1.4151187907828364,0.7116174628316055,0.2344030187364381,4.5421705237511296E-4,6.862343085041042,11.083160395437828,4.955764481348294,40.38903119540311,16.194338768873155,3.5974680154605316,8.935959551983666,8.891662807453727,28.72806956429339,3.5433256617864424,4.824800583563754,21.243553322063505,3.6959354047483077,21.77109322260936,3.4955836233400293,7.364227827539208,11.231276310660782,3.1575051036383512,8.04536411278583,3.6802261546122654,8.440701070821877,5.6092269772049,3.8151061191389757,1.1457467661054994,1.625255446067279,5.20680235643906,6.816262057905826,1.5178457973264565,2.76579951023385,0.001931750288373198,2.901676438981355,10.695477968410367,1.5983207426915877,15.25484310918405,2.9027078130223334,2.0233542820558523,3.878351533112587,2.2941118944745447,12.334800596365918,0.9102628617960188,2.705928072772356,7.753867494098507,1.052767949083198,9.404869964777435,0.8023578892245605,3.3070466610678544,3.313438211477537,1.0071464250542812,3.5431416478151148,0.9112559616788523,4.035558933410562,1.5345865112877661,1.290914432416959,0.2544093528954675,0.350455179774113,2.9243184061027985,2.2377623657382615,0.8536952173340142,0.502718676754832,6.976029683986965E-4,8.773128456260089,11.028223167602059,6.701429253963041,56.695583306997186,25.17200735607899,4.4279759563727685,11.176826221645028,12.598194770678797,37.38654028497168,5.395301283330979,5.846372180848281,28.569840153357816,5.598250577122942,28.22413922237769,5.462677242091078,9.414273414741766,15.44948853238785,4.695559052167421,10.238874161042858,5.653807881049016,10.03114892082367,8.401858052038014,4.895210630245435,1.8029084821459909,2.3790320411688657,6.482685829589911,9.6660901525221,1.875105376886677,4.515727012999181,0.0026465268462761743,4.690585515336101,10.551596172883091,3.156433399552976,30.800502058654374,9.656953871259967,2.9168700912491525,7.273093189434366,7.757760839369109,25.326374228004273,1.7264828483679124,4.096156133944657,14.919140141252761,1.907412119972867,18.055797971221814,1.6331275480576595,5.826183215611316,9.610950214256363,1.7275443539535529,7.691023310947436,1.768139983890723,7.3772142728257295,2.850572231137291,3.27067546403815,0.5480376912249907,0.9908959682784294,4.6783136919629005,3.6933012768349087,1.4854208423640005,1.2018594850036615,0.0013815277810572608,24.27462955342939,0.9841705085847372,0.5625389481201324,0.9400995643139257,0.03811461939283915,0.5770311587093638,0.4873562012452181,0.4606315840711472,25.821339010134256,38.09943333096685,77.36003849001156,0.9101493464708885,1.5250189440257291,21.716379965884986,0.5580724256207114,0.1683256907642512,0.9676333244608952,0.024866459204602433,0.46192332512473233,0.16549711438576817,0.04242838876377967,22.44277808226995,15.868675428458078,40.35144521665824,0.951449986691343,0.6698488282742802,22.920819338695722,0.6969454300120536,0.3234434564956876,0.9573793905090573,0.029110704165647035,0.5144655789312107,0.24671207544545573,0.15429980088678227,23.941208225203464,23.613571761728803,52.72164698320492,0.936069085763586,0.9154774552634487,24.102632699618326,0.9731862626856237,0.5467403435807896,0.9406801409601058,0.03798161811502225,0.5688903541392956,0.48006134180003035,0.4399075027748125,25.62255930588474,37.166312912845605,75.61340564430287,0.9110202114401587,1.4888591987141384,23.445730621949732,0.774294022496193,0.396858014034091,0.9524248438448463,0.03145378044971362,0.5382838022729314,0.3004772020068213,0.22801322683024633,24.616882658480016,27.765799953883175,59.58719897711982,0.9286372657672693,1.066774231109999,24.41518137034609,1.0219397084047182,0.5918805788068902,0.9379991477028845,0.03926157913582486,0.5837359873485728,0.5260719876665675,0.5107690580830867,26.0290016575577,40.006581277531765,80.80350252712367,0.9069987215543267,1.6205770330982268,24.164630583577186,0.980227832510258,0.5507784076129568,0.9404176572611312,0.038147637252023414,0.5718396652193425,0.4880769687793479,0.44711526910587085,25.6956368237004,37.536088538416855,76.27792728458674,0.9106264858916968,1.5070319031045611 +UMLCN0400,L,linoleic acid,CCCCCC=CCC=CCCCCCCCC(=O)O,Acids,Olefins,C18H32O2,BioCompoundML (2016),Unknown,PubChem,,31,1,-0.9484999999999997,0.8996522499999994,75.3662,54.62137599999996,0,0,52,20,32,0,18,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3141.2042279999973,3228.264755000002,3690.1881550000035,3359.7570089999995,3147.889351999999,2952.1486869999985,2754.3758939999984,2567.694124999998,2385.0766119999985,9050.765607206436,11444.095072001794,14948.57335780037,15409.88591067638,14352.157679526714,13376.443079002514,12338.560989616451,11384.33177216998,10554.437532447231,377.4235679999998,378.3743000000001,681.9026200000009,928.4788680000028,862.8412640000026,806.6748280000021,737.0714640000016,667.867268000001,625.5369280000006,65.71422095516802,85.14462159599996,121.4261361727348,132.6643723421478,123.55268840160068,114.97577244705371,105.50963068280876,96.71242032371481,89.69366158401685,8570.565846000969,7394.173966156052,14481.965283210226,21325.103958844047,19845.88217913357,18551.844676119235,16887.97186905641,15192.303957682221,14236.30665440502,166.77777777777777,123.41666666666667,217.24999999999997,238.08333333333331,218.58333333333331,208.33333333333331,195.33333333333334,180.58333333333334,171.16666666666669,60.40777361538456,63.29930892156867,39.257320797872374,25.84428468461538,26.015614479338833,26.125209619469015,26.741513533980566,27.609614247311807,27.414673701149407,174.05318475396993,224.39402101964302,159.02737614681243,118.53758392827984,118.6128733845183,118.3756024690488,119.79185426812089,122.4121695932256,121.31537393617508,7.258145538461535,7.41910392156863,7.254283191489371,7.14214513846156,7.130919537190104,7.138715292035417,7.156033631067976,7.18136847311829,7.190079632183915,1.2637350183686158,1.6695023842352934,1.2917674060929234,1.0204951718626754,1.0210965983603362,1.0174847119208292,1.0243653464350366,1.0399184981044602,1.0309616274024926,164.8185739615571,144.9838032579618,154.06346045968326,164.0392612218773,164.01555519945097,164.1756166028251,163.96089193258652,163.35810707185183,163.63570867132208,3.207264957264957,2.419934640522876,2.311170212765957,1.8314102564102563,1.8064738292011018,1.8436578171091444,1.8964401294498383,1.941756272401434,1.967432950191571,0.3906243730185232,-0.22281732055915726,0.0854499078942855,-0.06691350194058565,0.007096059947613004,9.436730637045927E-4,5.549734059366509E-4,-1.444688755565353E-4,-0.018024787548533185,1628.6402990769227,-61.28245855621009,-499.22041579289703,-60.41445738461647,0.6906124556203181,15.286458236685565,-8.57954309467518,-80.69708496449739,-75.89093260946784,2620.272443739699,-56.92906165374487,-1173.4935634670837,-27.88766444491898,20.106181557255134,48.19400846274614,14.785084658429135,-101.82421300987937,-95.44000925857097,2.2215987692307713,-0.08907325443787296,0.9047643786982236,-0.14063353846153626,-0.0571445207100566,-0.06478194082840018,-0.09014925443786842,-0.130016260355029,-0.13442347928994058,11.69218522644921,-0.11752719939841576,-5.358445477910277,0.06776713496954001,0.11248667696829007,0.23378162168916972,0.10661449846656013,-0.3741472083133568,-0.3579847792062918,64.40557258848754,-0.43300847167177026,-28.81560804706152,0.6466371124868978,0.623097463940384,1.2692510319325772,0.6077267279057971,-1.9444272002071656,-1.8812253842821747,59.564102564102626,-1.1750493096646952,24.563609467455642,-5.061965811965814,-2.913050624589088,-3.81130834976989,-5.121630506245893,-6.028106508875739,-5.559171597633137,0.007512007173433139,-0.004368967069787397,9.090415733434627E-4,-5.147192456968127E-4,5.8645123533991764E-5,8.35108905933268E-6,5.388091319773309E-6,-1.5534287694251107E-6,-2.0718146607509407E-4,31.320005751479282,-1.2016168344354918,-5.310855487158479,-0.4647265952662805,0.00570754095553982,0.1352783914750935,-0.08329653489975904,-0.867710591016101,-0.8723095702237683,50.389854687301906,-1.1162561108577425,-12.483974079437061,-0.214520495730146,0.16616678972938126,0.4264956501127977,0.1435445112468848,-1.094884010858918,-1.0970116006732296,0.04272305325443791,-0.0017465344007426072,0.009625152964874718,-0.001081796449704125,-4.7226876619881487E-4,-5.732915117557537E-4,-8.75235479979305E-4,-0.001398024304892785,-0.0015450974631027654,0.22484971589325403,-0.0023044548901650147,-0.057004739126705076,5.212856536118462E-4,9.296419584156203E-4,0.0020688639087537144,0.001035092218121943,-0.004023088261433944,-0.004114767577083814,1.2385687036247606,-0.008490362189642555,-0.30654902177725024,0.0049741316345145985,0.005149565817689124,0.011232310017102452,0.0059002594942310395,-0.020907819357066298,-0.021623280279105456,1.1454635108481275,-0.023040182542445005,0.2613149943346345,-0.038938198553583186,-0.024074798550323042,-0.03372839247583973,-0.049724568021804784,-0.06481834955780365,-0.0638985241107257,-0.5815978298368278,0.12101180847621747,-0.06851953596598812,0.007806851375408067,0.0011116987599355636,7.172638677487901E-4,-2.0679276970327523E-4,-0.027580041031884155,-0.03836579226613769,-0.16956751315116347,-0.014838011172597913,1.8223307494987434E-4,0.004319232651121213,-0.0026595312772515964,-0.027704675340780166,-0.027851513730407538,-0.022152397894075207,-0.24774776900841086,-0.004257216002335576,0.003297623911808081,0.008463919032103764,0.002848678809209934,-0.02172826291429702,-0.021770485497146577,-0.04088037412356954,0.22529178585509668,-0.02532114086653561,-0.011054190424692021,-0.013418786067126471,-0.020486257729915143,-0.032722949283770196,-0.03616542698624346,-0.01024886725344603,-0.2535237320636318,0.0023183736369910436,0.004134503593755759,0.009201096388024322,0.004603484660898333,-0.017892343094370995,-0.01830007905830432,-0.006854978787042574,-0.2475026382308163,0.0040160320698863486,0.004157674743935115,0.009068782364862188,0.004763772471372403,-0.016880629468416293,-0.0174582808493573,-0.020114287643598114,0.22813035235068369,-0.03399339933993397,-0.02101751677143998,-0.02944519153723758,-0.04340999739484287,-0.05658700512407475,-0.05578398919352199,1.5714253879356064,0.630074595532554,0.7694732867691052,0.714947149909822,0.7642362019293819,0.8333991505192625,0.8980517121193572,0.960761487447421,1.2309607745407465,1.215229251125465,0.9557120824048306,0.9350552471399002,0.9341544269718313,0.9512351028320966,0.99237139354433,0.9954467081326374,1.3607925471494924,1.4055783194306428,0.9801633568529644,0.9739301838206976,0.9653270900816026,0.9739647584091048,1.0080180303099497,1.001988316339228,0.7904145538431355,0.3751043305796738,0.7607626648916445,0.7013606173526223,0.7413784496728553,0.8027853876349319,0.8803251882948604,0.9316504608786897,1.399408285507722,1.4359962233475738,0.9723321064314585,0.9717643350748009,0.9628642915125805,0.9711052945416726,1.0047202218865083,0.9983231716448081,1.4019955156306507,1.4284287708498122,0.9662695379550296,0.9665856376624744,0.9583967839708785,0.9673865147597968,1.0015837832679726,0.9960203754894696,0.7261084804132579,0.36143937589873654,0.7777335342229866,0.7011336509144978,0.7526657244408542,0.8267791690524046,0.9064734839542851,0.9546365431145805,250.32712004654,125.41356002326994,199.32605633354456,250.77712004653995,12.538856002326995,125.41356002326994,0.4999999999998863,0.00938967038672922,4.69483519336461E-4,-9.336290177925646,204.73020635349317,10.236510317674659,10.643386091587805,250.33342103312305,125.41597609566014,199.32883102951612,250.78209907550055,12.539104953775027,125.41597609566014,0.49853115819723826,0.009424866604476168,4.7124333022380835E-4,-9.328807398238903,204.7585655854188,10.23792827927094,10.643663112438333,255.96767831948964,127.58484468168655,201.8290659837598,255.24948825898474,12.762474412949238,127.58484468168655,-0.7979889561165407,0.040886081952953734,0.0020443040976476866,-6.3939311367910365,248.5294649367472,12.426473246837359,11.031122819363421,250.34003415997222,125.41851188020493,199.33174323140668,250.78732480036612,12.539366240018305,125.41851188020493,0.4969896004376295,0.009461806277077822,4.7309031385389113E-4,-9.320983951528886,204.78835748813287,10.239417874406644,10.643954086693913,262.05402705450376,129.94471926291274,204.57193425658434,260.10589737869327,13.005294868934662,129.94471926291274,-2.1645885286782516,0.07496990851150043,0.0037484954255750215,-5.181336931605411,486.61247243386515,24.330623621693256,12.374936123641806,250.98762751654186,125.66694794414913,199.61718012887434,251.29926905112262,12.564963452556132,125.66694794414913,0.3462683717563806,0.013078658791154718,6.53932939557736E-4,-8.673546954226204,207.85086646606163,10.392543323303082,10.673641668796915,263.96207765100473,132.0949685328643,210.1362554382033,264.79886777446154,13.239943388723077,132.0949685328643,1.1954144620811178,0.0911349012818854,0.00455674506409427,-4.790828877026634,154.5711550915377,7.728557754576885,10.081309082142283,0,11.996163377277338,15.998263803527717,-0.3513931848497884,0.2787569613754241,3.7224741694409427,7.958216466522694,19.0,51.0,48.0,48.0,16.0,3.0,3.0,0.0,0.0,3.0,35.94062399999999,3.601946974185938,3.5371087252317355,3.4421522963324502,3.3092554604276767,3.158959651956162,2.926353113709716,2.72749832239657,2.478262878387668,1.9387191241974486,1.8972422646509126,1.8061877053814204,1.6957663640796168,1.5605678189935246,1.4166979892667328,1.2548454366148494,1.1112369180639468,3.6214780135204734,3.5321105894090428,3.4384392559947337,3.300083431833412,3.148708065181611,2.9174448533603443,2.7401516491937596,2.482624289253245,1.8875585588054764,1.8423115908573586,1.756349201704156,1.64560439349485,1.5100309678126045,1.3640733952403266,1.2033262759931582,1.0484056726853876,3.7192866075175934,3.658773506797496,3.572611804278548,3.451005468848989,3.306056206286225,3.1136930250866537,2.9391102584753956,2.725909342110568,1.737256889939868,1.6689789735718705,1.5759347272390003,1.4464289813037954,1.29464032881732,1.1040374324495295,0.9350638645174706,0.7204422888177614,3.637080615939444,3.548037454871617,3.4522980029632153,3.3125937679976953,3.1573771618121413,2.9300937768435795,2.7568490441636238,2.499862585968077,1.8560529962634993,1.8100455086104452,1.728606322795742,1.6188642291539475,1.4836931521194887,1.3323083454672036,1.169819422303569,1.0036368584015414,3.7671207001755835,3.7085949540795045,3.621405553708099,3.501132629878978,3.357447292096021,3.1801010071291667,3.0125296829983177,2.815215084453169,1.6929410278707702,1.6180444586546436,1.5254237141635516,1.3938037386309023,1.2427482765571358,1.0382681015235933,0.8675177284343768,0.6374763674869652,5.041937544166674,4.014708908981024,3.7360124022049463,3.547643811793888,3.4323939292739203,3.332875663170133,3.0950787970661087,2.9111389365185283,1.822648843178746,1.7689590292318855,1.6450972431683353,1.5146139146326596,1.3461094960424436,1.1939707661172339,0.9701008359941988,0.8202415797764445,0,0,1,4,0,1,12,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.06454972243679027,0.0,0.0,0.0,0.2886751345948129,0.20412414523193154,0.14433756729740646,0.04564354645876384,0.03227486121839514,0.02282177322938192,14.891058768174391,9.770055610029663,7.132269453018,4.385027805014831,2.923906201320913,1.9425139025074156,1.2851764053638195,0.8462569512537077,0.7445529384087195,0.514213453159456,0.37538260279042107,0.25794281205969594,0.18274413758255706,0.12950092683382772,0.09179831466884425,0.06509668855797751,13.1501443369609,8.28805094328385,5.374473848543475,3.341276041487304,2.0876529762903817,1.272247931239567,0.7728561975661439,0.4701029692921815,0.6575072168480449,0.43621320754125525,0.28286704466018286,0.19654564949925318,0.13047831101814886,0.08481652874930447,0.05520401411186742,0.03616176686862935,28.09884306940765,50.86671522214136,48.305882352941126,48.960000000000036,31.737350898203637,398.2465125748503,0.5403623667193779,0.9782060619642569,0.9289592760180986,0.9415384615384622,0.6103336711193007,7.658586780285583,5.736880000000006,86.45380000000007,136.49642129976056,217.1611856215964,272.99284259952117,13.649642129976055,136.49642129976056,0.028600361469098723,0.001430018073454936,-7.108671844913046,170.27343308966326,8.513671654483163,10.274811149702758,521,1.0,0.0,2.0,5.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,12.0,4.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,12.0,0.0,4.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.703935449712144,0.0,18.82124535930485,8.407601220957481,7.263603984187261,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.703935449712144,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1685719617137158,0.0,0.0,3.73070330353538,1.5789455502510157,0.0,1.1685719617137158,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2347356191629317,0.0,13.203084467241405,0.0,9.078265878975655,0.0,0.0,0.0,0.0,-0.670664658018173,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.502679946584802,10.318565412720048,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.703935449712144,0.0,8.502679946584802,-0.670664658018173,7.263603984187261,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.703935449712144,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2829621896011236,0.0,0.0,0.22463719693273843,0.31849773242630386,0.0,0.2829621896011236,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2347356191629317,0.0,0.32390232528264007,0.0,2.2507425041488895,0.0,0.0,0.0,0.0,-0.670664658018173,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.502679946584802,10.318565412720048,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.703935449712144,0.0,10.318565412720048,2.294097894006839,7.263603984187261,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.703935449712144,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3004817221118628,0.0,0.0,0.5232948965666768,0.5232948965666768,0.0,0.3004817221118628,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2347356191629317,0.0,1.3399247450205574,0.0,2.294097894006839,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.502679946584802,10.318565412720048,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,42.66666666666667,2.1333333333333337,0.703935449712144,10.318565412720048,0.22463719693273843,-0.670664658018173,9.96577066358249,2.3373313246848397,3.3185654127200475,14.268493714886873,2.3373313246848397,3.3185654127200475,14.268493714886873,9.66666,0.48333,0.0,0.01667,0.48333,0.77667,0.42903,0.47024,0.75397,0.0543,0.0131,-0.04121,0.0227,0.62232,0.09197,0.0,0.12069,0.05172,0.0,13.5,0.675,10.0,0.5,3.5,0.175,-6.5,-0.325,0.0,0.0,21.60287,1.08014,28.06635,6.46348,0.32317,7.78604,0.3893,9.77005,1.98401,0.0992,0.14395,0.0072,0.14395,0.0072,0.0,19.02,2,2,2,2,1,1,0.7222222222222222,1.141619525334138,2.37088490928384,3.526986833359287,4.219294525666979,4.5395834108987785,4.731891103206471,59.36421531737517,123.28601528275968,183.40331533468293,219.4033153346829,236.05833736673648,246.05833736673648,0.20026867781814187,0.4159126359566141,0.6187218894947693,0.7401700104361224,0.7963567084925042,0.8300922976428801,4.558820192806955,3.3295548088572526,2.1734528847818058,1.4811451924741137,1.1608563072423141,0.9685486149346216,0.19837390824841702,0.41197762917042935,0.6128680764017308,0.7331671599281123,0.7888222678883272,0.8222386799789888,9.68359431819945,19.595860257928717,24.565992359324547,26.10926930209378,27.27761637871714,27.894204845178685,73.90355676191196,49.278400490793935,35.506695117920195,29.412493255158566,26.13643958836383,24.451587432441706,20.0,17.05263157894737,19.058823529411764,20,3,18,3.2199999999999998,2.6331999999999987,0.0,2.352779665665871,0.058823529411764705,0.0,27.408212328519852,2.352779665665871,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.591,0.45499999999999996,0.44999999999999996,0.708,0.42400000000000004,9.737,19.0,17.0,16.0,15.0,14.0,13.0,12.0,11.0,10.0,166.0,3.1354942159291497,3.258096538021482,3.2188758248682006,3.295836866004329,3.367295829986474,3.4339872044851463,3.4657359027997265,3.4965075614664802,3.5263605246161616,3.5553480614894135,5.723585101952381,1.8373493975903614,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,0.7368421052631579,16.0,0.8421052631578947,2,9.0,18.0,1.0,1.5,0.44444444444444464,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.07894736842105263,0.023391812865497085,0.014705882352941176,0.010000000000000002,0.0074074074074074086,0.0058309037900874635,0.004807692307692308,0.004115226337448559,0.0036363636363636372,0.003305785123966942,0.17877229068511244,136.49642129976056,217.1611856215964,272.99284259952117,13.649642129976055,136.49642129976056,0.028600361469098723,0.001430018073454936,-7.108671844913046,170.27343308966326,8.513671654483163,10.274811149702758,37.3,329.55525926512354,5.321928094887363,4.343805421853684,5.003946305945459,5.6937321388027,6.364750756851911,7.057036981697891,7.732369222284388,8.4252971767117,9.10286651367095,9.795958019593462,102.51976253741213,3.6635616461296463,0.0,4.74493212836325,0.0,5.942799375126701,0.0,7.193685818395112,0.0,8.47407690034261,8.805525052709516,280.2402302640007,5.389235197384628,38.66155413230578,1.933077706615289,4.764172033029732,4.764172033029732,0.0,1313.0,17.0,7.865000000000002,76.0,1.233630828098045,2.1550687842810494,2.906043370645633,3.66605485878388,5.0168596453452725,6.041635523049407,7.389454698175347,8.491257494199521,9.783667065115226,10.928750688191402,89.93598192618295,94.15229215581573,90.49736493711463,122.18630694563934,154.28889605376946,190.59224241609792,230.57378237372262,262.4660607278952,292.08696725204163,327.57760771652136,304.22742772239974,366.82992800352594,381.4954663693889,515.1632221735127,656.8919997788333,808.3866855108935,977.3155050042344,1115.1396602701243,1239.7284088223169,1392.597173816172,9.183368374425648,15.704560244811855,20.83346075941779,26.369152999532993,35.97588595568224,43.4686112140226,53.256248591304704,61.28839480940933,70.60293600806072,78.39422560589617,2.2086294663357324,2.9225055209714443,3.170492444167934,4.248897504759637,5.480871195235592,6.715327229138773,8.122285084788055,9.279222381030708,10.359067604533891,11.692611077338272,176.4049527436204,328.5784084274517,472.68888068836776,585.4790583669756,813.5600115997864,974.5113831032005,1194.9549267037835,1373.54688721937,1594.9518475269163,1773.526906960178,3.0636136718021016,5.1626068901337,5.507314209004424,7.076096915807008,9.603984156884241,11.953002411884157,14.758202264065677,17.211776050024586,20.524550076640047,21.718188094330586,0.46816855226548476,0.631658188393179,0.6933058214778233,0.9253197513865341,1.2002733578677498,1.4730719563016474,1.7884792413785349,2.049804729044855,2.300651901045177,2.5815181262287608,624.0670395597941,939.6384805331418,24.98264850341633,202.2352901421699,-304.4994346655612,-32.726288335561065,421.8317494176242,1244.137915198703,57.708936838977394,0.7552526685782025,1.1371606332903073,0.03023427092651091,0.2447473314217974,-0.368508503147256,-0.039605707450159296,515.6680486784658,776.4254655421487,20.643220660498198,167.10749139242765,-251.60859225708424,-27.041808294172323,0.17191761179850873,0.22018220946290515,1.1678206434866771,8.289653010809495,714.0325338563338,112.2697958456303,0.8641298810253573,0.13587011897464268,1335.0594226210233,36.538464973518295,11.011171632642805,1661.8848168497345,40.766221517939755,11.844961133619307,2304.287007527943,48.00298956865023,13.208257397563093,5.53530183632527,5.53530183632527,14193.652580906275,14093.705526771593,141.0045748024877,1.0070916093673752,100.6609367163303,99.95211535876312,8.26190288471305,12.070969240288868,23.22509321531348,0.9240454310657894,13.407737135193399,14.729539911504487,7.986691326245902,60.46011326646988,31.361757295075275,0.8257771399724101,14.726988545116264,11.97133659759995,49.74957995124913,0.5609565505848519,1.4620851035847473,35.42397952221373,3.0824319751160254,52.41730679022325,0.010705035478819982,0.8826199684303471,25.4201420173521,0.2851178449577544,47.22328450158333,5.593405694290588E-5,0.47402488067459686,17.62032592890852,0.6058844742372548,45.84659085375868,5.3918757853094185E-5,1.0136859969031606,9.487368076656274,1.3100704830598455,35.33487960274122,6.146767710873711E-5,1.1596616071972816,14.754749959372516,0.6676668915758535,17.457215056672368,0.3383613004548076,0.089123879439368,2.597544256906488,0.10098171323994211,15.595888368771625,0.003961523120918309,0.12292336160257905,3.767457658677869,0.05644557065248515,13.954334864934598,7.610916268102687E-5,0.149608889339556,2.1860429386124456,0.022138080558877785,11.026296469537453,1.0549670473675886E-6,0.2670038866297791,0.5546855974938547,0.0507280469712519,7.506415310458611,4.4832890763302815E-6,0.36136218521902613,0.1569948236716337,0.0658080751096394,5.133781117528998,5.017337856440528E-6,3.5628822204603674,14.689336294765543,2.14792963667607,20.050551070103516,2.449532896967797,0.23258853840886773,4.882193311679793,0.9033150872514227,19.219259218706515,0.04119814696742777,0.2794766406176461,9.087158103623091,0.2832153216553195,18.994171904051903,7.875174113645519E-4,0.2040467081791601,4.847252468307463,0.07262357676694929,15.603288223761053,5.803460456769702E-6,0.2629654156702006,2.297496439529704,0.16383314656193484,12.442627895285552,1.4500078154226016E-5,0.3551250933059841,0.9126258601590608,0.2414930200457053,8.946417726634,1.628963090838971E-5,12.950963996121784,14.76381777854613,7.536246926664328,56.18700378053909,28.310084018217918,0.7835901192281928,14.579221212187045,10.678808720241003,47.8044224990336,0.4998095209562454,1.3492203389666304,33.55820680550254,2.833793964862682,51.097016141304174,0.009538484318545294,0.818122469441097,23.6956971604094,0.2679341512256962,45.510161896507775,5.029138559887789E-5,0.4987451021941787,16.057863427026167,0.5718228080579698,43.56895234947624,5.086621926986703E-5,0.9810021925970018,8.532795543813684,1.2062471101737362,33.260777979311804,5.792323599977029E-5,5.15941796541114,14.665111714939396,3.1687267908671637,23.676562048187403,5.066191989899125,0.3333975127417879,6.339486999315784,1.934298322765846,22.516283319202717,0.08946185688090331,0.42216232479454363,13.077906771971962,0.5359619065705342,22.99713748267584,0.0017088412924785989,0.270372553089942,7.296948923221073,0.10821713255492277,19.44460647306136,1.0979326362317184E-5,0.26927098435736957,3.9880057720303124,0.24153981560279475,16.53601030927511,2.1398259896358816E-5,0.3943126318776011,1.7668613000442992,0.38533099236721513,12.19684844297491,2.4102062931453208E-5,16.428826057090447,14.756743068725402,9.666355568275346,80.17877147398157,45.70423886370685,0.9976121652521535,17.97353674586654,17.43307423597525,62.78414995525112,0.8180680652482426,1.9519748905052414,44.0614392437492,4.45663825377981,65.33177842654467,0.015609967812068255,1.193581233136789,33.77402231786945,0.3502056324353423,59.37940272987168,7.941861681380423E-5,0.5682827871862963,24.481961658354074,0.7320866490927571,59.13344023568354,6.525091242410592E-5,1.3308767405836426,13.573351245244188,1.7261189128583714,45.90984365772797,7.469173731382716E-5,9.549215824852897,14.062269930605297,5.120900701923574,36.12772831287923,13.767995035031843,0.48989047021085197,13.08637758853024,4.474647033336167,38.00589945547475,0.20654022525017282,0.7425234925607952,23.326283884942526,1.6710806336935342,44.726188208925834,0.003942956239638915,0.5271348696689923,15.357006252667167,0.15341644081295913,38.28239263650773,2.357514420524346E-5,0.6830383876153376,8.237587449224606,0.4455199523034019,31.472864129700422,2.9678063422511976E-5,0.8436252890054262,3.8655998969714753,0.6179693760363534,22.622289631096592,3.3604694438890315E-5,48.28609205099246,0.898943968167065,0.39171863995664724,0.9739663756331337,0.01813236817028658,0.5768855489240693,0.6505105382432268,0.4999662730464238,49.576754659116176,62.67318661124321,129.25307296678974,0.9609495634497007,1.72736236021372,51.327327829990644,0.4381316652813076,0.07321154546057287,0.9901358734613377,0.00845183058294537,0.6521257106970099,0.14775391338699836,0.01746430797138508,51.83867104073252,26.277956907718952,79.76301852577687,0.9852038101920065,0.8173439320553934,47.457944054227355,0.5816284618858667,0.19639048140458154,0.9838705626478217,0.012057983830773668,0.557272947740164,0.27184224038266014,0.12567043020205707,48.23596299751781,37.037405777435545,90.69431382749036,0.9758058439717326,0.9547856183248812,49.25449807579539,0.8928925116899051,0.37798829590616617,0.9748466842667491,0.017672158654181095,0.6002477193796244,0.6426307258532553,0.46553135507759563,50.52537888339146,62.934099211227036,130.0830149651904,0.9622700264001238,1.7084098003104753,46.381854175745964,0.6588896490436168,0.25626038195384493,0.9806509937289647,0.013930896049219009,0.5322744397070659,0.34990259630703957,0.21397112532404133,47.29700420674342,42.615202599783025,97.74365826205857,0.9709764905934472,1.0961481613381467,48.712664395344575,0.9440539964348911,0.41648399269416847,0.9728290198281602,0.018853477538469103,0.5871244722914798,0.7173037107695359,0.5651827015412839,50.07320238447363,66.66861383931493,135.89482615015152,0.9592435297422404,1.8696108846022996,49.30250246897841,0.8970040668278113,0.3785566872213962,0.9747803558941248,0.01773504182776646,0.6014181557021756,0.648543407677105,0.4669324721425114,50.57806322302762,63.22790411380547,130.5474646689854,0.9621705338411873,1.716894035521792 +UMLCN0401,L,"methyl 4(Z),7(Z),10(Z),13(Z),16(Z),19(Z)-docosahexaenoate",CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC,Esters,Olefins,C23H34O2,NREL (2014),IQT,UML,,24.4,0,3.1836999999999964,10.135945689999977,116.0383,64.75496199999995,0,0,59,25,34,0,23,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3864.556960999998,4017.6795000000043,4446.766584000012,4269.136019000023,3962.885413000003,3724.948860000002,3528.192131000001,3370.716154000001,3186.155217000001,11230.517604814951,13703.08839956103,17166.378397621946,17604.65459044318,16823.20999553837,16102.072896660939,15095.274551705807,14211.821362217474,13633.875560570417,428.5630759999996,430.4519760000003,734.1826080000009,900.3578600000021,863.7685480000018,868.5400320000023,805.6551320000023,735.2378800000017,728.5112520000017,80.5479467648658,100.4454265399999,135.41678291588596,144.30517811796017,138.00002033686604,135.20093374020487,126.1794048808087,117.11789177916776,113.92436311656373,9574.372930499467,8328.878085373603,15333.449694011528,20014.46806214772,19027.254747872787,19702.388085142968,18223.43293010439,16343.380616049768,16432.765766951565,172.02777777777777,152.25,241.41666666666666,265.41666666666663,258.25,235.66666666666666,220.66666666666663,210.74999999999997,201.66666666666666,65.50096544067793,69.27033620689663,44.467665840000116,34.15308815200019,33.301558092437,30.532367704918048,31.22293921238939,33.04623680392158,31.236815852941184,190.34775601381273,236.26014482001776,171.66378397621946,140.83723672354543,141.37151256754933,131.9842040709913,133.58650045757352,139.33158198252426,133.66544667225898,7.263780949152536,7.4215857931034535,7.341826080000009,7.202862880000017,7.258559226890772,7.119180590163953,7.129691433628339,7.2082145098039385,7.142267176470605,1.3652194366926407,1.7318176989655156,1.3541678291588597,1.1544414249436814,1.1596640364442525,1.1082043749197121,1.116631901600077,1.1482146252859584,1.1169055207506247,162.27750729660113,143.60134629954487,153.3344969401153,160.11574449718177,159.8928970409478,161.49498430445055,161.26931796552557,160.2292217259781,161.10554673481926,2.9157250470809792,2.625,2.4141666666666666,2.123333333333333,2.1701680672268906,1.931693989071038,1.9528023598820055,2.066176470588235,1.9771241830065358,0.4064809672521302,-0.1560251270388328,-0.03392538590733096,0.0024746254798664333,-0.02851004725855518,0.02823417376393917,-0.02715131783054705,-0.0022981557918964955,0.02906902742734449,1876.0483927118646,-13.760910394710422,-541.8692571726473,-41.752090898016604,-398.5500784527419,120.17235739241598,108.68416417897107,-145.46004916288393,35.67166287101374,3106.9269496464776,-130.1591504932824,-1033.5208370096943,-71.95513803408718,-404.6175757983847,134.9776856252662,122.92241339015719,-169.92166707690262,-5.305749288265304,2.2570279322033944,0.04927315139326808,0.638021267451872,-0.08984955127836608,-0.47726772766446834,0.09578068256249336,0.07779741798334758,-0.17739608618213049,0.047231574834824985,13.947871155688992,-0.8964558561555218,-4.179091277134967,-0.3605404440034653,-0.9611668331381787,0.3572730550235468,0.3234961474885434,-0.5273066927709826,-0.23593926497379777,76.79432503024829,-5.402548695043841,-21.553141061340607,-2.067460126685208,-3.91185280441645,1.5391550226467072,1.38368135642749,-2.524858248226166,-1.6386416686898975,46.18549905838036,-0.06606498771106217,3.915820805004963,-2.493759775288055,-9.070469852213593,3.2237703086597183,-1.2766526221711407,-1.5518608956557756,2.508873567621059,0.00688950791952763,-0.0026900883972212552,-3.3925385907330964E-4,1.9797003838931465E-5,-2.3958022906348891E-4,2.314276538027801E-4,-2.4027714894289424E-4,-2.2530939136240152E-5,2.849904649739656E-4,31.797430384946857,-0.23725707577086935,-5.4186925717264725,-0.33401672718413283,-3.349160323132285,0.9850193228886556,0.9618067626457617,-1.4260789133616072,0.3497221850099386,52.65977880756742,-2.244123284366938,-10.335208370096943,-0.5756411042726974,-3.4001476957847454,1.1063744723382474,1.0878089680544885,-1.6658986968323786,-0.052017149884953956,0.03825471071531177,8.495370929873806E-4,0.00638021267451872,-7.187964102269287E-4,-0.004010653173650994,7.850875619876505E-4,6.884727255163502E-4,-0.0017391773155110831,4.630546552433822E-4,0.23640459585913545,-0.015456135450957273,-0.04179091277134967,-0.0028843235520277224,-0.0080770322112452,0.0029284676641274324,0.0028627977653853396,-0.005169673458539046,-0.002313130048762723,1.301598729326242,-0.09314739129385932,-0.21553141061340608,-0.016539681013481664,-0.03287271264215504,0.012616024775792682,0.012244967755995486,-0.02475351223751143,-0.016065114398920565,0.7828050687861078,-0.0011390515122596926,0.03915820805004963,-0.01995007820230444,-0.07622243573288734,0.02642434679229277,-0.011297810815673812,-0.015214322506429172,0.0245967996825594,-0.39046161622029135,-0.04924210306976033,0.002873500411084341,-0.03477465036137377,0.03359131835044724,-0.03487580706045092,-0.00327032632800645,0.041365866518011864,-0.007461517264086491,-0.17041290777671525,-0.01050451948916787,-0.10532801810041237,0.030977953594481997,0.03024793988073603,-0.044848872883663064,0.010998441722369483,-0.042615509126378036,-0.19626380140836697,-0.01093132400681439,-0.06456821074410078,0.02100985794834476,0.020657302265351823,-0.03163512522375013,-9.877965890255293E-4,0.022207385106361454,0.16678240549248188,-0.01878974894297722,-0.10484076597776221,0.020522637534242615,0.017997070495184352,-0.04546308893704332,0.012104513315742855,-0.06538001257880366,-0.17677707414897845,-0.012200793057958913,-0.03416613869917316,0.01238752425046929,0.012109738201076144,-0.021867905908307547,-0.009784623857909385,-0.07156383084522218,-0.1655897518622913,-0.012707204333276542,-0.025255642850213315,0.009692714422303735,0.009407636531985519,-0.019017775355638835,-0.012342601476905628,-0.0014550895972429184,0.050022936247426306,-0.025485371771085917,-0.09737090212137374,0.033755973033323464,-0.014432470184682472,-0.019435646386426638,0.031421359752692384,1.42937946081939,1.159998900690641,1.0049110486024684,0.957239032054428,0.6587078182595627,0.8280996911511452,0.8785310098523584,0.701813924241238,1.1097679447332707,1.2132837280864277,0.9854132887391535,1.1048825363673611,0.9046616814773567,0.9104686754700512,1.0217294356038384,0.9352666227058241,1.2484487415293763,1.2695854957148243,1.0076612230949142,1.0577433615706213,0.9653632255661974,0.9678670149098101,1.0257133087782897,0.9898395279464807,0.7265607911192747,0.8263939198036985,0.8593551919875891,1.1764329150271902,0.5485993104233908,0.5815064737373506,0.9194005080057548,0.6322681097351722,1.3076797626563692,1.2670614495988297,1.0097449875616016,1.0308666101692359,0.9696559483626598,0.9728134125128857,1.0169250136856856,0.9956647600751731,1.3187952789153572,1.2600334966870141,1.0083061145981653,1.0241593886310563,0.9651252315778339,0.9689146195669661,1.012688212544608,0.9924453506827313,0.6423372545821533,0.7049952088727608,0.9535749148810385,1.3629475480787452,0.5750056233495517,0.658464345840182,0.8991046968237855,0.6446604615872331,356.88736471540426,178.69368235770202,284.1575817611353,357.34736471540407,14.293894588616162,178.69368235770202,0.4999999999997726,0.028833487565893767,0.0011533395026357507,-8.865544511551443,318.13574907935066,12.725429963174026,14.406195438971244,356.90036322056847,178.6994471893829,284.1640169645602,357.35901188611007,14.2943604754444,178.6994471893829,0.49853115819738036,0.028769073413390134,0.0011507629365356054,-8.87113577158036,318.0392352990995,12.72156941196398,14.405436891532554,368.6500364460827,183.92602374498318,290.03201858135725,367.9158866064556,14.716635464258228,183.92602374498318,-0.7979889561163702,0.029061648742099322,0.0011624659496839729,-8.84583971664493,268.509911031873,10.74039644127492,13.98221956465774,356.91400602090476,178.70549781067126,284.1707712771494,357.37123645330746,14.294849458132301,178.70549781067126,0.4969896004377574,0.028701467920309254,0.00114805871681237,-8.877017526188562,317.9381158934671,12.717524635738684,14.404641899334365,381.57994591123463,189.70767869127803,296.6055567204806,379.58852446485037,15.183540978594014,189.70767869127803,-2.164588528678564,0.09245576606894579,0.0036982306427578316,-5.9525623837502915,248.7652763715076,9.950611054860305,13.791274466754508,358.25180507208324,179.2990367219199,284.83376875974375,358.57037197409926,14.34281487896397,179.2990367219199,0.34626837175656533,0.022079172187245255,8.831668874898102E-4,-9.532801374489392,308.83129486993005,12.353251794797202,14.331987891266056,378.3900203438293,189.35078538194938,300.8603310622336,379.05668701049547,15.162267480419818,189.35078538194938,0.7936507936502721,0.011418017428300897,4.567206971320359E-4,-11.181406737632493,256.8723482498237,10.274893929992947,13.871448155205435,0,11.996137048297806,15.998265860340663,-0.3496060931818873,0.2615754903117312,4.060221554258803,8.02441659126448,24.0,58.0,51.0,51.0,17.0,7.0,7.0,0.0,0.0,7.0,40.04303799999999,3.637080423940065,3.5956265445938014,3.5278944438052053,3.432656474207827,3.3083841674826195,3.1561450120681482,2.979751415221757,2.7599027486687957,1.9242180915114322,1.8872758510850818,1.8260658234801816,1.7418688344714741,1.637788466409521,1.5219569299279303,1.4316257646414559,1.3517470138864076,3.6525557871758414,3.6024568101075367,3.5216213797768496,3.4142607680770665,3.286004120281483,3.1414655753826444,2.981311168859871,2.780044172607449,1.8804057768893105,1.8437764075043725,1.782983029095107,1.6996033236969135,1.5978063627692425,1.4871895844448269,1.3828002562192294,1.27431445091802,3.7374874851734052,3.6964852470924714,3.6296105478087566,3.5384393692429765,3.4246466908226996,3.2906428050676406,3.1409018463536436,2.982978159357826,1.7524414100849184,1.7064184667074604,1.6315204838604649,1.5306335107686022,1.4083194400209844,1.2719434078881773,1.1333683086091413,0.997610885951176,3.6659974236743134,3.615464865082279,3.533479076954725,3.4236411798954043,3.2914793324255354,3.144352900242419,2.988730198805442,2.8037030210022085,1.8537477819535069,1.8190803383646275,1.7602119552296522,1.6782245670213083,1.5767698185699608,1.4624929225201944,1.3442412536017563,1.2251267761963258,3.7780949934976453,3.7365259620970863,3.6687910857844854,3.577341140312153,3.4658337695556938,3.3393008007043607,3.204219247597779,3.0673681388153575,1.714409363592062,1.6671834100933702,1.5906538064531373,1.4882369152024195,1.3649030547167127,1.2268013461977914,1.079401221938439,0.9176120775070762,4.639088618262801,3.700029584549282,3.643525017458808,3.551496291172148,3.427198553262135,3.2763196826236087,3.1883768274264064,3.095950893134917,1.8180277490974022,1.78017154546729,1.71394153088587,1.6197242410069186,1.5003978659625385,1.3610085990938734,1.21082771595462,1.1068655443088153,0,0,1,12,0,1,8,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.49279927982674443,0.348461712529338,0.24639963991337221,0.10059223176554563,0.06572292788290107,0.037945150105123296,18.426592674107127,12.308060412490448,8.666056171260145,5.997400240710626,3.7753505498048674,2.5445759751233816,1.7108985796057965,1.1472879875616908,0.737063706964285,0.5128358505204353,0.36108567380250606,0.2607565322048098,0.1797785976097556,0.12722879875616908,0.09004729366346298,0.06373822153120505,15.901554060695622,9.276136238273903,5.529994464942521,3.339329175101803,1.942851882320051,1.1279367163284277,0.664011839767351,0.3940551405953488,0.6360621624278249,0.38650567659474594,0.23041643603927173,0.1451882250044262,0.09251675630095481,0.05639683581642139,0.03494799156670268,0.021891952255297154,33.64067087319354,57.75455207574663,55.03137254901953,55.720000000000056,37.535905389221604,448.2455461077845,0.5701808622575176,0.9788907131482479,0.9327351279494835,0.9444067796610179,0.6362017862579933,7.597382137420076,6.194440000000008,107.84600000000005,212.71090562908762,338.35841974176776,425.42181125817524,17.01687245032701,212.71090562908762,0.03992692896682892,0.001597077158673157,-8.051760678218203,309.3297210646332,12.373188842585328,14.336019416142815,837,0.0,0.0,2.0,13.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,0.0,0.0,4.0,8.0,0.0,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,8.0,0.0,12.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.488362950730654,25.874430196309163,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.125239998436978,0.0,0.0,1.6705748288146736,3.6086770279815563,0.0,4.125239998436978,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.5712190853485177,0.0,7.232654434278335,0.0,26.027644152663736,0.0,0.0,0.0,0.0,-0.15321395635457513,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.905998126094023,4.582364824636631,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.582364824636631,-0.15321395635457513,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3210539573534306,0.0,0.0,0.2725727202227449,0.32725605070009245,0.0,0.3210539573534306,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4192080722405083,0.0,0.457010446814766,0.0,2.0242438271604937,0.0,0.0,0.0,0.0,-0.15321395635457513,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.905998126094023,4.582364824636631,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.905998126094023,2.209973152332153,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38065778786635207,0.0,0.0,0.5803028831685807,0.5803028831685807,0.0,0.38065778786635207,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1520110131080097,0.0,1.1141002298069713,0.0,2.209973152332153,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.905998126094023,4.582364824636631,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,52.166666666666664,2.0866666666666664,0.5813863055182368,10.905998126094023,0.27084499788962424,-0.15321395635457513,12.338249612784558,1.8198806230212419,3.905998126094022,14.3360362330048,1.8198806230212419,3.905998126094022,14.3360362330048,12.16666,0.48667,0.0,0.01333,0.49548,0.76133,0.42987,0.46244,0.76133,0.06561,0.03304,-0.03257,0.0,0.63923,0.07506,0.0,0.10959,0.0411,0.0,20.25,0.81,12.75,0.51,7.5,0.3,-5.25,-0.21,0.0,0.0,23.89082,0.95563,37.54934,13.65852,0.54634,7.92557,0.31702,12.30805,4.38249,0.1753,0.10595,0.00424,0.10595,0.00424,0.0,24.02,2,2,2,2,0,0,0.43478260869565216,1.1535640393309456,2.484149428956272,3.372688771573845,3.8223383480650437,4.09477960096584,4.356556608390523,68.0602783205258,146.56481630842006,198.98863752285686,225.51796253583757,241.59199645698453,257.0368398950409,0.19609621553632872,0.4222845765264912,0.5733288155125644,0.6497654737830297,0.6960782027068679,0.7405780993057414,4.729079010030896,3.3984936204055693,2.5099542777879966,2.060304701296798,1.7878634483960019,1.5260864409713184,0.19154659349025305,0.41248716552685505,0.5600270319387598,0.6346902857371166,0.6799285145134149,0.7233959704297356,9.466931945362814,19.63608254957579,22.870701481313436,25.041495838928917,26.593164614939017,27.552913481470913,91.34230997128813,67.30657935553494,55.53609036755358,47.49725918695217,42.560685777769145,37.80043096211744,25.0,22.041666666666668,21.958412098298677,25,3,22,3.7699999999999996,3.165700000000001,0.04347826086956522,4.204007295201276,0.3086066999241838,0.0,35.802699138858394,2.408373083650825,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.556,0.55,1.158,0.896,11.481,24.0,23.0,21.0,20.0,19.0,18.0,17.0,16.0,15.0,222.0,3.4657359027997265,3.6635616461296463,3.784189633918261,3.9318256327243257,4.127134385045092,4.2626798770413155,4.442651256490317,4.634728988229636,4.762173934797756,4.919980925828125,6.6293632534374485,3.4054054054054053,0.4782608695652174,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,0.625,17.0,0.7083333333333334,2,12.0,23.0,0.9166666666666666,1.5,0.666666666666667,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.0625,0.02777777777777779,0.010869565217391304,0.007619047619047621,0.005555555555555557,0.004296455424274973,0.003472222222222222,0.0029048656499636887,0.0025000000000000005,0.002203856749311295,0.14985454495857667,212.71090562908762,338.35841974176776,425.42181125817524,17.01687245032701,212.71090562908762,0.03992692896682892,0.001597077158673157,-8.051760678218203,309.3297210646332,12.373188842585328,14.336019416142815,26.3,405.489347591258,5.643856189774724,4.574710978503383,5.25227342804663,5.942799375126701,6.6293632534374485,7.323170717943469,8.012680929706839,8.707978826622321,9.398892478520773,10.095057874011232,114.93692786191879,3.8918202981106265,0.0,4.976733742420574,0.0,6.18826412308259,0.0,7.455298485683291,0.0,8.752897524775305,9.077951183930438,342.2558803280009,5.800947124203405,48.654899700278854,1.9461959880111541,5.135514157638909,5.135514157638909,0.0,2558.0,23.0,9.154000000000005,96.0,1.2653225642172485,2.205748156616416,2.9977014387192087,3.7622590347380678,4.507549467525307,5.6752864218205925,6.478435377254262,6.95588485428861,7.8002648518778335,8.324595605989465,100.00998457613768,109.89412232250407,114.9641385145223,144.78738559226673,163.0221098793899,191.8192853294157,227.3692077402576,236.55982167049328,246.62348106634892,273.5684758611899,322.5248077030461,402.22493184016304,452.0128959292801,580.4049480125374,669.2974811691369,801.7098456599265,935.9794251763668,985.6861364928919,1048.6191461677422,1142.9634372918274,9.483557262826514,16.325036840607552,21.677827879508758,27.422823860101698,32.329612900070146,40.58706214959374,46.65835325346381,49.89690317217991,55.76922884331023,60.00670027722028,2.3011528173958955,3.106841393269757,3.624886017318902,4.638957344819295,5.455000355042173,6.605626978638621,7.641176754702558,8.110810405198967,8.734275480466563,9.423227133714175,180.06167153084454,335.71612953262286,476.31939707701986,595.1959157039748,714.030696236805,907.9012894417451,1032.8428883540098,1110.2307138900433,1257.2141026902966,1337.9553224741444,3.503033360313382,5.691804580428579,6.6167448004089655,8.49962978298479,9.260025209681894,11.36952952665336,13.433262840149943,14.15186826077256,15.446260436761158,17.23830808486371,0.492754689951493,0.6760834046549684,0.7903141115538661,1.0120056358687057,1.1770541068191178,1.4279855080860397,1.661776279265228,1.7611202366442757,1.8998643180335852,2.0659718717862816,535.6201126121837,970.404700095816,26.57766979907181,178.46586104418478,-323.3338448015261,-21.021486214834816,357.1542515679989,1293.738544897342,47.59915601390662,0.7500779071035698,1.3589465917206112,0.0372191455644828,0.24992209289643028,-0.45279400062424474,-0.029438312738727383,382.4788096246049,692.9523851086369,18.97874121598765,127.43996814815884,-230.88816338115487,-15.011148451424246,0.14433160811103776,0.17604245146298148,1.166531850580087,4.020818297158939,678.2082983289799,35.87767532738841,0.9497572048031103,0.05024279519688959,1703.5557505834909,41.27415354169593,11.943147160913364,2035.9765344890436,45.12179666734298,12.67430798025182,3815.620421672815,61.77070844399322,15.626260314064156,1.166119736242746,1.0318324145534732,6362.2573398414,3665.80423036923,2731.5860369556744,1.7355693157680097,2.3291440407756925,1.3420057727541808,8.563349506191594,8.174904722992189,12.88467249486769,0.5761250964343505,13.402658865271187,14.854101798511358,28.404462167203242,30.183611333588477,40.767992333694274,20.910833558046967,28.825081683635275,26.75277307164995,43.06190222532027,25.864831563536846,36.89282061655417,23.50211032795113,27.693255941213707,35.82936807306168,30.46232400926595,22.506428861766274,37.508257508587754,22.22614691477014,21.31941837787846,8.93153548297538,9.554596676092375,2.5680385864317463,0.835809646497724,0.05886979607230962,0.44660778048228855,4.144787651777871E-17,9.769244335396387E-55,4.824220715938686E-114,4.6862897882851234E-195,8.819027115203591E-298,1.1280019804750794,14.980082203784953,5.325603665710948,15.124977619331448,6.817902144104811,6.059329064705577,5.308594292176986,4.544733621294108,7.971228569686266,5.57221319922617,5.351638435444706,6.514246812241566,7.6085726583665405,6.002534887476615,14.887593796247097,3.077716424149497,11.183660757054389,3.8022757545127437,3.541834668775088,0.3939549784123223,0.5017425226266519,0.027075088059906174,0.07011943956208835,4.1462478724296303E-4,0.0031454951149493095,2.919207833121606E-19,6.880558663924619E-57,3.397738095613895E-116,3.300592215471327E-197,6.21131290626463E-300,3.6309505333394707,14.724418702551171,7.891444599403162,16.988402806699025,8.559988177430817,7.241643159935834,8.582236959505918,7.686781695646149,12.397150269673707,6.927139542634225,8.752153476468369,8.057646918222861,9.13215042669747,11.004162544343227,16.57300975199829,5.400602469595447,15.399557970946836,6.391408735436805,5.748224175698326,1.4879812463974746,1.1447178279988535,0.20961005121927356,0.22637009223380275,0.004320709960462805,0.03277848428725297,3.0420396342196945E-18,7.170072621670879E-56,3.5407050626138287E-115,3.439471565518544E-196,6.472666943070034E-299,12.656208338043214,14.99102818375538,28.654545613751353,29.730925292741695,38.98059627949215,20.902678679823467,28.089419694666432,25.084587960825505,41.26455418418969,25.1723681784765,34.25043751968767,22.591258973718237,26.408415681747112,34.01378640919853,29.34296567472291,20.9088255111498,35.75772125677195,21.141056976847494,20.553690762175822,8.193298949613737,9.125467026275754,2.298125728484312,0.7889194136826435,0.0524519284355545,0.39791949188757886,3.692931176873594E-17,8.704220821832956E-55,4.298293804838858E-114,4.175399831544848E-195,7.857594385917248E-298,5.348744458840238,14.627977920888167,9.99242413333392,18.40809450782485,11.042715986049483,8.461018989773212,11.191609091662626,10.213194175729114,16.066925688480566,8.610757252856775,12.005995604613963,9.617356943116274,10.975431298693435,14.660173371717825,18.159998584513534,7.452655080834306,18.596371740043462,8.540191163178385,7.725752933226218,2.4284270831460164,1.8040755224055303,0.4335636872255639,0.33364404707774087,0.009385159396026391,0.07119924795022942,6.607716583022786E-18,1.5574355846893848E-55,7.690884528474386E-115,7.470991845292602E-196,1.4059497521003855E-298,16.18914984049218,14.945843122376619,36.31428128437956,35.855390167665114,56.56676037451911,26.551482690075307,35.94415304491855,34.19953691672093,55.257108582495235,34.0212668398548,48.77540457434565,30.16961071920929,35.60193647470938,44.55164119333459,36.24236706611501,29.697776307731697,45.38493883913059,27.81329180106415,26.72061808688769,11.978730348978615,13.810756406906387,3.720456431320823,1.009440362217986,0.08585606489543426,0.6513354749317534,6.04478325645531E-17,1.4247524734227264E-54,7.03567252634583E-114,6.834513231328637E-195,1.2861722221484992E-297,7.319617967092906,13.82897457842389,28.04209738182614,25.624376634480324,22.65125801007092,18.1779799665581,21.931720445630884,13.944068172016802,27.53999988867257,20.4512665465641,19.11564293390063,14.051430622728803,19.757658040640848,20.55577701308096,20.917866509287744,10.96845000867099,24.762929471477324,13.670168826927865,14.102087209338528,4.021329455427035,4.376626405432896,0.82268336471883,0.5092528847339801,0.01793786234241711,0.13608317714407525,1.2629333766473246E-17,2.9767278259726208E-55,1.4699593490293814E-114,1.4279312436496302E-195,2.687192838110995E-298,11.448604482984567,8.465531893793575,0.2954248970857005,0.5664944591246796,0.4188874651495619,0.5236693119662567,0.5030824617173706,0.32884572204772,20.20956127386384,102.80165807979424,151.64336503816116,0.47807288641136214,1.3555974957313475,10.659498516437413,7.932146828280202,0.0512944054718254,0.5717713332377795,0.42547725490555205,0.4572817743577871,0.4423744865977587,0.009913751069323185,18.64293975018944,85.50635474291687,108.48637534756632,0.4958728822149974,0.9095700120248691,10.826218078563112,8.355170970710889,0.14036724222113506,0.5603123191926653,0.4324229560016025,0.4683221007377946,0.4900807201768602,0.07423856105987742,19.321756291495138,93.1473416954132,125.16600326816668,0.48910291279140183,1.0326413819745324,11.45186744662406,8.36981882925227,0.28487041660076934,0.5695588569329126,0.4162731071891515,0.524500248149948,0.49203674660986435,0.30576847842995686,20.1065566924771,101.49666781199383,148.9080698271096,0.4787479461830962,1.3223054731897692,10.952283631935632,8.494853045799655,0.1854072780409795,0.55786370103673,0.43269242462591345,0.4788052813027815,0.506072982387578,0.12952439336161775,19.632543955776267,96.6436806463199,133.52615434705527,0.48583418849396515,1.1144026570519772,11.547990212108605,8.452923426283686,0.31663275136333147,0.5683752354039785,0.41604056238531645,0.5329463420609972,0.5016723333958821,0.37775452916768276,20.317546389755623,103.94722130553207,155.1726447911091,0.4766236966839425,1.412373204624562,11.416178626595382,8.40380940681799,0.28580583988001756,0.5678054146252608,0.41797948689709813,0.5209055267274012,0.495890117322728,0.30777986704314514,20.10579387329339,101.60405765839836,149.12988927732766,0.47867735228353836,1.3245755110932742 +UMLCN0402,L,methyl arachidate,CCCCCCCCCCCCCCCCCCCC(=O)OC,Esters,,C21H42O2,BioCompoundML (2016),Unknown,PubChem,,100,0,-4.798700000000004,23.027521690000036,71.93350000000001,66.56930599999994,0,0,65,23,42,0,21,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3584.157230999997,3826.0079620000038,4362.1123900000175,4208.867361000036,3892.5417950000005,3653.5004739999995,3456.7437449999993,3259.987015999999,3063.230286999999,10632.153756763739,13773.94752702652,18465.96790036088,19650.25395952442,18816.240237110906,17749.90346686501,16743.10512190994,15736.30677695483,14729.5084319997,467.22975599999955,472.3120000000004,900.168328000001,1227.586716000003,1197.316700000003,1146.329080000003,1083.444180000003,1020.559280000003,957.6743800000029,78.52705000365783,103.77598101999989,152.10182092437609,171.66092584282652,165.13144956143043,157.17329417312843,148.15176531373217,139.13023645433591,130.10870759493966,10800.125434513458,9300.2697548968,19378.99826548038,28498.040282198494,27727.539724259157,26802.537651277617,25323.582496239036,23844.627341200456,22365.672186161875,154.52777777777777,134.25,233.41666666666666,279.83333333333326,278.0833333333333,250.83333333333331,238.58333333333331,226.33333333333331,214.08333333333334,55.14088047692303,59.78137440625006,35.178325725806594,24.32871306936437,23.169891636904765,22.55247206172839,22.593096372549017,22.638798722222216,22.69059471851851,163.57159625790368,215.21793010978936,148.91909597065225,113.58528300303132,112.001429982803,109.56730535101858,109.4320596203264,109.27990817329743,109.10746986666445,7.188150092307685,7.379875000000006,7.259422000000008,7.095876971098283,7.126885119047637,7.0761054320987835,7.08133450980394,7.087217222222243,7.093884296296317,1.208108461594736,1.6214997034374983,1.2266275880998072,0.9922596869527545,0.9829252950085144,0.9702055195872125,0.9683121915930207,0.9661821975995549,0.9637682044069604,166.15577591559168,145.3167149202625,156.28224407645467,164.72855654449995,165.0448793110664,165.44776327949145,165.51361108652964,165.58768986944762,165.6716458234213,2.3773504273504273,2.09765625,1.8823924731182795,1.6175337186897876,1.6552579365079363,1.5483539094650205,1.5593681917211328,1.571759259259259,1.5858024691358026,0.33246854679927984,-0.1539367940809371,0.002318416413831851,0.014146217036429662,-0.03666983105098259,0.004831532426318615,2.4129313032122913E-4,6.2550374011626116E-6,7.927995610348959E-8,1943.4695506153848,-20.953244852065616,-648.3013626508805,49.54112786982408,-216.58076977514656,11.328371881657393,10.235864520710482,9.143357159763344,8.050849798816547,3184.9045051865464,-155.49149142315764,-1280.7777231027342,-9.562896691589867,-212.2110804174664,7.0994820442453275,6.9538964748493655,6.808310905453631,6.662725336057896,2.3120599384615352,0.059862706745546904,0.6754638712425917,0.045787302248530753,-0.28706211786981606,-0.012756646627206169,-0.02146010130176408,-0.030163555976322,-0.0388670106508798,14.166855778402025,-1.0413780704192936,-5.408910251703548,-0.35891994076524825,-0.4819410444793047,-0.02583464106686799,-0.026172732453750222,-0.026510823840633344,-0.026848915227517353,77.77425625124191,-6.240119947080325,-28.4259338517173,-2.493240610340942,-1.90918769502645,-0.24987064246488022,-0.2553101088954606,-0.2607495753260409,-0.2661890417566213,42.93760683760691,1.72596318211703,10.417744904667972,3.5976857330703504,-6.081045364891537,-0.3932149901380726,-0.5787771203155863,-0.7643392504930999,-0.9499013806706145,0.00511490071998892,-0.0024052624075146423,1.8696906563160087E-5,8.177004067300382E-5,-2.1827280387489638E-4,2.9824274236534663E-5,1.5770792831452884E-6,4.343775973029591E-8,5.872589340999229E-10,29.899531547928998,-0.32739445081352525,-5.2282367955716165,0.2863649009816421,-1.2891712486615867,0.06992822149171231,0.06690107529876133,0.06349553583168989,0.059635924435678125,48.998530849023794,-2.429554553486838,-10.328852605667212,-0.05527685948895877,-1.2631611929611095,0.043823963236082265,0.045450303757185395,0.04727993684342799,0.04935352100783627,0.035570152899408236,9.353547928991704E-4,0.005447289284214449,2.646664869857269E-4,-0.0017087030825584288,-7.874473226670474E-5,-1.4026210001152995E-4,-2.0946913872445835E-4,-2.8790378259910965E-4,0.21795162736003115,-0.016271532350301463,-0.0436202439653512,-0.0020746817385274463,-0.0028686966933291944,-1.5947309300535795E-4,-1.7106361080882499E-4,-1.8410294333773156E-4,-1.9888085353716558E-4,1.1965270192498756,-0.09750187417313008,-0.22924140202997823,-0.014411795435496774,-0.011364212470395535,-0.0015424113732400014,-0.0016686935221925528,-0.0018107609397641732,-0.001971770679678676,0.660578566732414,0.026968174720578594,0.08401407181183848,0.020795871289423992,-0.03619669860054486,-0.002427253025543658,-0.0037828569955267078,-0.005307911461757638,-0.007036306523486033,-0.47024615709840256,0.0036553801504089775,0.01598663300608129,-0.04267390821915488,0.005830860825896786,3.0833038009557E-4,8.492395475154013E-6,1.1481335929061687E-7,-0.010949818738421083,-0.174860157497476,0.00957757149213521,-0.0431167707960589,0.0023387731469845024,0.002237529213175758,0.002123629787640868,0.001994543772034744,-0.04958423265736023,-0.21079923064413666,-0.0011281329976868084,-0.025779572796850003,8.943934129599598E-4,9.275850310130453E-4,9.649256013227988E-4,0.0010072449143405193,0.026296057696022203,0.15314213856823408,0.00744069016892334,-0.04803755236561988,-0.0022137867242064844,-0.003943252659278375,-0.005888901836234255,-0.008093970903450891,-0.07465662242302396,-0.20013727125466949,-0.009519000907023784,-0.013162079715011422,-7.316903064088008E-4,-7.848696193777323E-4,-8.446963464678085E-4,-9.124999705032584E-4,-0.081487398616586,-0.19158898908416946,-0.012044688672832302,-0.00949766473098114,-0.0012890735841527147,-0.0013946141585993493,-0.0015133473048518135,-0.0016479115372712726,0.04082508285725658,0.1271825579013537,0.03148129887454848,-0.054795448147210865,-0.0036744350298105956,-0.0057265814939149555,-0.00803524626603236,-0.01065173300776543,1.569068525843115,1.0357022199758008,0.7984668357143835,0.83913699334615,0.690960076876215,0.7205707572032134,0.7488998268083198,0.7806854534657114,1.3204438444571571,1.29943185675846,0.9427646735495004,1.011609709354884,0.9313334579969583,0.9340027452216281,0.9370056933493811,0.9404090345608349,1.5006254304591158,1.3939787081564605,0.9929246391484902,1.0084597459402844,0.9744331855558873,0.9726169807721617,0.9705737503904703,0.9682580892912203,0.7502971575876638,0.7602392483159498,0.6992039865053242,0.9269316457407998,0.664085650038193,0.694568057548164,0.7288607659968812,0.7677258355720943,1.571629324819767,1.4034304434252989,1.0028623842027247,0.9962537670165719,0.976256396752242,0.9742504460069048,0.9719937514184005,0.9694361642180956,1.583347112357792,1.3973860988275162,1.00181455115393,0.9912408999438769,0.9724111912625645,0.9708054202740714,0.9689989279120169,0.9669515699016883,0.5744769791189751,0.5185485315732451,0.7118811745620545,1.103114096326269,0.6425248028050732,0.6754493504709236,0.7124894665950051,0.7544682648689642,352.42206712654894,176.46103356327433,282.29007115577474,352.87858886567915,15.342547341986048,176.46103356327433,0.4999999999997158,0.07604355002427315,0.0033062413054031807,-5.925832875208717,238.9645095672653,10.389761285533273,12.595524604352157,352.4346531812996,176.4665921697485,282.29625440099574,352.8898338040017,15.3430362523479,176.4665921697485,0.4985311581974088,0.07598430449965587,0.0033036654130285162,-5.927625503460224,238.9962083900192,10.391139495218226,12.595829680856152,363.7973925176232,181.49970178075338,287.92620618687255,363.0687939055169,15.785599735022469,181.49970178075338,-0.7979889561164555,0.022934809901136055,9.971656478754806E-4,-8.682728710987154,295.57256842036617,12.850981235668094,13.08450308574708,352.44786304582703,176.4724263231323,282.30274423780827,352.90163615926997,15.343549398229129,176.4724263231323,0.49698960043755847,0.07592212407773313,0.00330096191642318,-5.929508438629581,239.02951589274053,10.392587647510458,12.596150196060634,376.275546110661,187.05547879099123,294.21633890945077,374.2991826714328,16.273877507453598,187.05547879099123,-2.1645885286785926,0.034887687632455366,0.0015168559840197985,-7.717928994415415,357.3060974574536,15.53504771554146,13.520763509588477,353.74300512098864,177.04463674637248,282.9396653892114,354.0591631995487,15.393876660849944,177.04463674637248,0.34626837175633796,0.06983307428623503,0.0030362206211406533,-6.1217893369398215,242.49254698970853,10.543154216943849,12.629233244437014,369.98699381084975,185.0314395231627,298.19752970364397,370.8575252118159,16.124240226600694,185.0314395231627,1.1777777777776919,0.11043129088635317,0.004801360473319703,-5.067732032720599,223.7113437954117,9.7265801650179,12.443820127259102,0,11.99614623869371,15.998265036922794,-0.34960976764713747,0.26126493785835336,4.036112974442888,7.640920346658304,22.0,64.0,63.0,63.0,21.0,1.0,1.0,0.0,0.0,1.0,48.788693999999985,3.573639599592877,3.536288216251717,3.4646798408812547,3.3601375700791074,3.226191759148847,3.0680253864093405,2.8941992941385557,2.725192092748979,1.9588145390771956,1.918175188095334,1.852292002837259,1.7640730651797203,1.6580213889706608,1.5423221462252483,1.4456640721161944,1.3716767967602603,3.585021867502274,3.5382746951674546,3.4610212288716435,3.354820101957678,3.2226273900819655,3.069370523008007,2.903654697433536,2.742875651788708,1.9015073546212102,1.861677655025001,1.797160785740246,1.7110288482425937,1.608422798985634,1.4984153299622514,1.3934653327330087,1.2877207502864803,3.708172772612038,3.6699367626557087,3.6036444033202386,3.5099435175961804,3.3920321199381536,3.2555241590493456,3.109764447068711,2.9697865370592678,1.7285298810214054,1.6824893946044681,1.6075663468863222,1.5066007268978165,1.3839610776341458,1.2466847328198967,1.1087401587464738,0.9887082770210482,3.6044473395719767,3.555761633695098,3.476101832374036,3.367827298374382,3.234560952479661,3.0818292944555297,2.9193685014009896,2.7671267382407927,1.865681656491288,1.82834499493294,1.7668955741400452,1.6832879481779774,1.5813139008299864,1.4672414796948139,1.3496944251138854,1.2333158981826182,3.76417273645895,3.722726417685965,3.654723510923228,3.5622599467957183,3.4490569169713035,3.3212923169604354,3.189016018870957,3.062370119377237,1.6747169827982247,1.628770244706644,1.5536649555406343,1.451805737102414,1.3270013507378036,1.1852818522792568,1.0373544624809594,0.8999059894027276,5.169129227058889,3.6168484191267702,3.5679902412346896,3.4908033458512246,3.437804378292614,3.357873805531753,3.217365694884253,3.0511529208024557,1.8238949859490463,1.7735369084595942,1.6921260990435565,1.5833738131703887,1.4523279283872268,1.3052454153241448,1.1498902509657984,1.0046249363486053,0,0,1,0,0,1,18,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.49279927982674443,0.348461712529338,0.24639963991337221,0.10059223176554563,0.07112944921610614,0.050296115882772816,17.012379111734035,11.308060412490448,7.958949390073598,5.497400240710626,3.4217971592115934,2.294575975123381,1.5341218843091595,1.0222879875616908,0.7396686570319145,0.5140027460222931,0.36177042682152716,0.26178096384336313,0.18009458732692596,0.12747644306241007,0.09024246378289173,0.06389299922260568,16.044418642285585,10.377156752707547,6.98298686265246,4.7121251317525825,3.0962733740662896,2.0643958992096243,1.3713599917365078,0.9071979496048121,0.697583419229808,0.47168894330488853,0.31740849375693,0.22438691103583727,0.1629617565298047,0.11468866106720135,0.08066823480802987,0.05669987185030076,33.80798208833703,63.305899490167626,59.93333333333324,60.76000000000007,38.73012335329347,499.9023988023953,0.5201228013590312,0.9739369152333481,0.9220512820512806,0.9347692307692318,0.5958480515891303,7.690806135421466,7.201100000000009,100.79600000000008,179.46513481942765,285.5734125977843,358.9302696388553,15.605663897341536,179.46513481942765,0.04431139646410187,0.001926582454960951,-7.167980770526613,261.26206027677296,11.359220012033607,12.80070512169041,701,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,18.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.590130225039285,-0.06392649638486625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.7330101505988855,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7511226165509672,0.0,23.88934032146128,0.0,0.0,0.0,0.0,0.0,0.0,-0.06392649638486625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.949957932224576,4.640172292814709,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.640172292814709,-0.06392649638486625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.20572704081632653,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4681968902860656,0.0,0.5923649584487534,0.0,0.0,0.0,0.0,0.0,0.0,-0.06392649638486625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.949957932224576,4.640172292814709,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.949957932224576,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5125,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2829257262649016,0.0,1.454343391564142,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.949957932224576,4.640172292814709,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,43.16666666666667,1.8768115942028987,0.5559027777777779,10.949957932224576,0.20572704081632653,-0.06392649638486625,13.144160641284621,1.730593163051533,3.9499579322245757,10.746111902608373,1.730593163051533,3.9499579322245757,10.746111902608373,11.16666,0.48551,0.0,0.01449,0.46513,0.76667,0.42958,0.46513,0.76667,0.03555,0.0,-0.03555,0.0,0.63327,0.08102,0.0,0.1194,0.04478,0.0,13.25,0.57609,11.75,0.51087,1.5,0.06522,-10.25,-0.44565,0.0,0.0,29.77522,1.29457,33.74459,3.96937,0.17258,10.18293,0.44274,11.30805,1.12513,0.04892,0.10595,0.00461,0.10595,0.00461,0.0,22.02,2,2,2,2,0,0,0.9523809523809523,1.08827554171981,1.4690724275213207,2.282569804705897,2.7481799790528134,3.058833836824163,3.306168311737763,70.73791021178765,95.48970778888585,148.36703730588331,178.63169863843288,198.8241993935706,214.9009402629546,0.1807055921369491,0.24393601871064924,0.3790153433949871,0.456328816899485,0.5079121587703184,0.5489814661577765,4.934092271308645,4.553295385507134,3.7397980083225573,3.274187833975641,2.963533976204291,2.716199501290691,0.1807055921369491,0.24393601871064924,0.3790153433949871,0.456328816899485,0.5079121587703184,0.5489814661577765,9.201639544003168,13.894122623467453,16.554500093342533,18.460793286141293,19.459107974992875,20.04907571133846,85.92673832335481,72.42198187669001,66.91954283143907,60.49548072402713,56.40663125188918,53.78939436893766,23.0,20.045454545454547,19.954648526077097,23,3,20,3.55,3.1418999999999966,0.047619047619047616,4.119777230204742,0.3244428422615251,0.0,31.58949783389692,2.383100997386957,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,10.842999999999998,22.0,21.0,19.0,18.0,17.0,16.0,15.0,14.0,13.0,200.0,3.1780538303479458,3.2188758248682006,3.1780538303479458,3.044522437723423,2.995732273553991,2.9444389791664403,2.8903717578961645,2.833213344056216,2.772588722239781,2.70805020110221,5.3612921657094255,1.06,0.47619047619047616,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.0,0.8636363636363636,21.0,0.9545454545454546,2,11.0,21.0,0.9090909090909091,1.5,0.666666666666667,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.06818181818181818,0.030303030303030318,0.011904761904761904,0.008421052631578949,0.006172839506172841,0.004801920768307323,0.00390625,0.0032921810699588472,0.0028571428571428576,0.0025429116338207248,0.16308232504028072,179.46513481942765,285.5734125977843,358.9302696388553,15.605663897341536,179.46513481942765,0.04431139646410187,0.001926582454960951,-7.167980770526613,261.26206027677296,11.359220012033607,12.80070512169041,26.3,386.71613054432464,5.523561956057013,4.48863636973214,5.1647859739235145,5.855071922202427,6.541029999189903,7.234898420314831,7.924072324923417,8.619569258033104,9.310276200588783,10.00672080717778,110.14506127608593,3.8066624897703196,0.0,4.890349128221754,0.0,6.102558594613569,0.0,7.370860166536716,0.0,8.669914278433902,8.994420665751292,326.3184805840012,5.020284316676941,44.654899820162214,1.9415173834853137,5.135513483289332,5.135513483289332,0.0,1986.0,21.0,10.167000000000003,88.0,1.2440156249999998,2.1463320569105946,2.8736549329426357,3.623682938645724,4.9410309708468905,5.964926234437011,7.283445791048305,8.39570197100524,9.698470782821472,10.850131832674252,85.89332087348437,83.68045131037347,83.59173515721582,107.26694991466118,132.16437721123748,159.87052933103345,187.9740554617599,216.1960272057024,244.7443983967416,273.4849934267916,293.87552019292923,341.127409013309,360.26647766577037,478.4044403003981,599.8221057936152,729.619134271814,862.494671713092,993.7440376654845,1126.127861639375,1256.7382401549946,9.225452246437507,15.639193683700602,20.4505914245642,25.997613434758012,35.10953303964619,42.45433787558026,51.793076203672626,59.77465677766698,69.06031057388827,77.36467566078416,2.156325177113437,2.760083120145466,3.042554635952626,4.028712675561777,5.149753307245561,6.263923487310009,7.447571346959695,8.582537780365534,9.752718026828203,10.880422232743863,178.60217558063613,332.0797324830455,469.52950057096905,583.0754318921151,807.5704929064058,971.8728589548406,1194.097415366495,1375.5305953818113,1594.8567283646237,1784.523647171926,2.683852864583333,4.160689060722313,4.74253492789215,6.2139523520780005,7.86871921793863,9.604426103900142,11.701040267166938,13.619457245281648,15.804906290534953,17.887386933205033,0.45911355468749954,0.5992808559643992,0.6639702349998554,0.8784714111171065,1.1227999264882251,1.3672595261415912,1.6307987268619761,1.8827832605872241,2.1459224639796344,2.4000112958839694,841.9429696210943,1303.0452078726917,26.20203600907021,226.0722225760529,-349.88394331913867,-24.29568519122324,615.8707470450414,1652.9291511918304,50.49772120029345,0.7883249000316448,1.2200624273818002,0.024533392596379388,0.21167509996835482,-0.32760202839376157,-0.022748445311195947,899.2078825189102,1391.6720781277247,27.984172524183702,241.44856824499945,-373.68136697068576,-25.94816088906568,0.16876212324491333,0.20608559854996503,1.0826976034684916,3.6153556628410373,1012.9292876057045,55.08590459144287,0.9484221713381071,0.05157782866189269,1517.2081278215146,38.951355917625186,11.490750288319244,1924.0636432565962,43.86414986360269,12.437692375783287,2697.5854964618425,51.938285459397314,13.920614473052755,5.723195103881574,5.723195103881574,21244.581205769686,21143.901785896647,167.34731241034024,1.0047616291871064,126.94904327879127,126.34742369839329,9.015180051229652,14.03105513918141,27.07802624242571,0.9298638608304606,11.72704930188392,18.520787996300722,9.237279928290782,87.15584880355162,36.254106325348914,1.5520662246924282,14.925797598939914,10.258366272739012,69.09751179391519,1.7431082734188754,3.7025161700694382,65.56345603078657,6.94586282146393,78.38432751227215,3.3940649330583055,3.9938935376522293,37.83298397218062,4.132635189735235,73.96413851675698,3.766317761317278,6.389370606431042,27.755282531908534,3.8515976670920824,62.13525640409554,3.6567569607777326,6.596159467379396,18.49753387651289,3.021903671817584,45.76976786739066,3.9405020917397167,1.0006775060878137,18.67112154763344,0.7940890516844126,19.075921769550742,0.48477915863480536,1.0725841831907241,2.246192136703076,0.3518401493397864,18.548059267338772,0.05461364754620653,1.9423857391308594,5.352182632945838,0.21701761780330517,16.492208980934016,0.07855435724432264,2.1988872982727425,1.537054034036787,0.16729132249551107,13.136414366342732,0.10713892984346793,2.3920359564582183,0.6332011501236128,0.17370702483596603,9.57645159600824,0.13247168130426304,2.473668170103678,0.3309270258396515,0.2059309542964032,6.355085943095078,0.15702001042413158,3.1828915353277005,18.390082425925797,2.061743631894726,23.423822761148546,3.143123132872277,0.9527195695495069,4.712675256109645,1.3646148103168587,24.402581895043873,0.2367056953992616,1.8041611498492638,15.21109412672232,0.8754821036854327,25.695502531504967,0.3895107611172924,1.9455113092316432,5.622172160693501,0.5539920240333764,22.46584075563698,0.48353537563573107,2.3847962348076055,2.9493149619002574,0.4989431345068489,17.36884418401011,0.5425614631874307,2.5405220459917746,1.8338737181500357,0.45730299893836535,11.968776618117472,0.6213217163919886,11.07449303118158,18.67128285131492,9.683270004606419,80.65864962840877,32.670629154103906,1.7779459942634162,14.424992519176998,9.449214757136016,65.90702494644337,1.5822294818444058,3.741454071848797,61.38307332299528,6.282344727214541,74.109529114974,3.0616802950921076,4.133066729908462,34.99629849245884,3.741289499455844,69.49584714785586,3.411227765580878,6.503717999745601,25.408500577638186,3.4777968496556726,58.050537912853606,3.3315854848165385,6.922606329134853,16.689242190266643,2.7387614159609894,42.58284072040885,3.599924202405694,4.683414754937797,18.28333586803143,2.782332424809782,29.079919359021584,6.283494621114678,0.8936814463585541,6.368895874393697,2.320479007411819,29.52580785711404,0.40997530000275906,1.8731469951644117,22.718795278197423,1.5396016050361445,32.946303874854294,0.7115891420273481,1.967623243743051,9.279611262589162,0.945003738554571,29.7493528382985,0.8519347831076169,2.607573244133402,5.381065563191324,0.8486077136268276,23.571991309555933,0.915910433159521,2.75585322835131,3.499122775805896,0.7259509127557023,16.535563227161276,1.0314981898583904,14.162133407911,18.616550027851336,12.220346165811694,118.71461654553488,52.37236519449745,1.9003671565767046,18.050986956767936,14.270769910561821,87.78619223424603,2.40406872155882,4.5361200021816215,82.90236614784688,9.694490529072805,97.96613766857634,4.771672629175249,4.914831959252937,51.84947785096305,5.753723852199927,92.86551772938309,5.2298850603790035,8.115499891397901,39.528231736193575,5.411243198316386,78.98685563381407,4.9849556524448175,8.281613589401537,26.411060903602767,4.209656185581334,58.82144751400067,5.325219879610383,7.670896859605566,18.476936010116965,9.48977650817186,51.782284679273126,17.316454004087305,3.0362010484853563,10.666537591176105,5.926472247850258,51.1033591840152,0.8341560816838562,3.689097014556737,40.74083900760892,3.255049251595689,53.17690352122819,1.549532869698562,4.373653178134739,22.53480924461334,1.965615642348276,47.3802177160642,1.7731529493104374,6.276292653044798,15.531638060069398,1.8154023780510482,38.08252267806968,1.7980368268486107,7.149841688488688,8.72017033692421,1.4988818674911921,27.264263482319755,1.975906790699135,62.28958624340506,0.819267878178424,0.5088481892307695,0.9791234826287741,0.012877985975912214,0.5402449008702237,0.6650558751620703,0.6153759832536667,63.61770231081425,83.14468329844294,172.72985371527878,0.9686852239431611,1.8206767592859607,65.77786072763676,0.41188839586531856,0.10209218182720148,0.9922466993287272,0.0062132592451042135,0.6024036227237335,0.16662234107738508,0.024771314116672803,66.29184130532929,33.850593441172066,102.90843227035725,0.9883700489930908,0.7937972779177913,62.1739528791016,0.5456146643159141,0.2650413480344717,0.987129299893765,0.008662666545349664,0.5382308927369914,0.2948452744135818,0.16695188981918446,62.984608891451984,50.546299159170964,122.52191111461202,0.9806939498406474,1.0000280569697577,63.0893065073152,0.8127715972335068,0.4931645723121521,0.9797199899362299,0.012621609352604552,0.5541942539003831,0.6542088086814278,0.5780265897030125,64.39524267686086,82.79143743659235,172.47477675445273,0.9695799849043449,1.7864296522848235,61.14449838774239,0.6161176434593258,0.3409787156917526,0.9845882160828252,0.009921124344236686,0.5205730822990787,0.3761539491702183,0.2763240064895277,62.10159474689347,58.731259791809016,133.67827436358573,0.9768823241242379,1.1730510379588246,62.55426806767553,0.8562895529707149,0.5387522331502977,0.9781851940339871,0.013390129696917732,0.544843529668114,0.7264754542040184,0.6898302623024666,63.94930985379654,87.72714576350894,180.53448529687572,0.9672777910509806,1.961149246174599,63.09117797788274,0.8186619346762889,0.49590683894065657,0.9795892627611474,0.012711007572584762,0.5542189421085687,0.663200368424197,0.584472754490503,64.40574675149968,83.34367251262012,173.3631789920796,0.9693838941417211,1.8018920650232686 +UMLCN0403,L,methyl butanoate,CCCC(=O)OC,Esters,,C5H10O2,BioCompoundML (2016),Unknown,PubChem,,6.4,0,-0.19069999999999998,0.036366489999999994,25.347900000000003,17.07193,0,0,17,7,10,0,5,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1243.417246999999,1130.35521,1262.775797999999,1060.759696999999,744.4341309999998,307.65789700000016,78.738912,9.144576,0.0,2861.203506984667,3326.1053751806403,3849.214113763538,3541.4804402424816,2707.466717828972,1675.7842339403048,874.9221648086931,279.75369987837234,0.0,131.59065199999998,123.89952000000001,216.49620000000013,221.42831600000014,191.1583000000001,140.26646800000003,83.01657599999999,60.46617599999999,0.0,19.67703704848999,23.520163100000005,29.098778606791992,27.316464092489987,20.786987811093994,14.232906895094004,9.348943289094002,4.001516143641,0.0,2854.0508722974905,2371.6385306440006,4591.763082026842,4834.7578015810905,4064.257243641744,3113.018666976894,2028.241198422894,1664.258868218241,0.0,86.52777777777777,50.25,85.41666666666666,83.91666666666666,85.5,50.0,18.0,9.0,0.0,73.14219099999994,70.647200625,45.09913564285711,36.577920586206865,31.018088791666656,17.092105388888896,6.561576,1.016064,0.0,168.3060886461569,207.88158594879002,137.47193263441207,122.12001518077523,112.81111324287383,93.09912410779471,72.91018040072443,31.08374443093026,0.0,7.740626588235293,7.743720000000001,7.732007142857148,7.635459172413798,7.964929166666671,7.792581555555557,6.918047999999999,6.718463999999999,0.0,1.1574727675582346,1.4700101937500003,1.039242093099714,0.9419470376720686,0.8661244921289164,0.7907170497274447,0.7790786074245002,0.444612904849,0.0,167.88534542926413,148.22740816525004,163.9915386438158,166.71578626141692,169.344051818406,172.94548149871633,169.0200998685745,184.917652024249,0.0,5.089869281045751,3.140625,3.0505952380952377,2.89367816091954,3.5625,2.7777777777777777,1.5,1.0,0.0,0.2644690086947178,-0.1543570888982449,0.03496942449944496,0.01761198132961459,-0.0062906575433908235,-0.03656884306269957,0.001354781187158349,0.011045898140758452,0.0,629.820206470588,-12.09745997231797,47.856053813148904,2.0302887266436542,-283.81228748788914,-263.7712903806228,-30.099525861591868,224.98411792733532,0.0,780.5766247334496,-146.419785128913,-39.17543733966079,-15.894105813255518,-217.22443160757973,-109.95548309336985,-132.65404966408366,271.03498028013763,0.0,1.8816070588235294,-0.015005231833909796,0.5738919031141871,-0.33270757093425596,-0.8953704359861572,-0.7228959446366775,0.19046325259515434,0.26082049826989484,0.0,3.4247689940841184,-1.080059212612111,-0.20518877622772347,-0.37362282156231885,-0.5234576028759309,0.3110154243902283,-0.7113790765500833,0.870307568395879,0.0,19.349598455084106,-6.628413838935578,-0.8914436586188834,-2.729791524179962,-2.4601184667612346,2.7853707338137363,-3.978143926067731,4.227741453207608,0.0,36.48692810457518,-0.44684736639753925,8.849961553248754,-4.861687812379852,-16.280565167243367,-11.966551326412919,1.852364475201847,4.609861591695504,0.0,0.015557000511453988,-0.009647318056140306,0.00124890801783732,6.073097010211928E-4,-2.6211073097461766E-4,-0.0020316023923721985,1.1289843226319574E-4,0.001227322015639828,0.0,37.04824743944636,-0.7560912482698732,1.7091447790410323,0.0700099560911605,-11.825511978662048,-14.653960576701268,-2.5082938217993225,24.99823532525948,0.0,45.9162720431441,-9.151236570557062,-1.3991227621307425,-0.5480726142501903,-9.051017983649155,-6.1086379496316585,-11.054504138673638,30.11499780890418,0.0,0.11068276816608996,-9.378269896193623E-4,0.020496139396935256,-0.01147267485980193,-0.03730710149942321,-0.04016088581314875,0.01587193771626286,0.028980055363321648,0.0,0.20145699965200697,-0.06750370078825693,-0.0073281705795615526,-0.012883545571114444,-0.021810733453163787,0.017278634688346017,-0.05928158971250694,0.09670084093287544,0.0,1.1382116738284769,-0.4142758649334736,-0.03183727352210298,-0.09413074221310215,-0.10250493611505145,0.15474281854520758,-0.3315119938389776,0.4697490503564009,0.0,2.1462898885044224,-0.027927960399846203,0.3160700554731698,-0.16764440732344318,-0.6783568819684737,-0.66480840702294,0.15436370626682058,0.5122068435217226,0.0,-0.6201271285578076,0.08027948684052556,0.03903771170888985,-0.016848410513430025,-0.1305908803484587,0.007257082249246775,0.07889194415955703,0.0,-0.020408286505472877,0.046132945474264345,0.0018896968393873022,-0.31919221004961973,-0.3955372140248331,-0.06770344065259801,0.67474812043722,0.0,-0.199302690818591,-0.03047117502954271,-0.011936348267455321,-0.19712005310763445,-0.1330386304857639,-0.24075352041399495,0.6558676579973078,0.0,-0.008473107468834392,0.18517913616127543,-0.10365366759337005,-0.3370633217579125,-0.36284677803579635,0.1434002598529657,0.26182987508800226,0.0,-0.3350774651903957,-0.036375854858456624,-0.06395183882103495,-0.1082649572406977,0.08576835115281577,-0.29426423412891506,0.48000735194068533,0.0,-0.3639708451943914,-0.027971311711305385,-0.08270055946314886,-0.09005788507709371,0.13595258430685064,-0.29125689136881483,0.41270798846787254,0.0,-0.013012203313927441,0.1472634508348794,-0.07810893030869244,-0.31606023287057755,-0.30974772354082686,0.07192118226600988,0.2386475593372145,0.0,1.5882131082110311,1.003754490105157,1.0671145520584109,1.2630969736587982,1.0851430089875989,0.12003066429632694,0.027763670537927655,0.0,0.998993450092463,0.924401966087199,0.9448970702242151,1.3620008274113584,1.3786724888067003,0.7688925045986352,0.0,0.0,1.5082568984706735,1.0232877259508544,0.9501054736559151,1.0479635182031195,0.9259938680260689,1.1536467083733075,0.0,0.0,0.7202757842795204,0.8037712800840188,1.0588055516998607,1.7243352261667015,1.62642152508487,0.0504164775292209,0.0,0.0,1.7993206067006469,1.0538652766450944,0.998618661533604,0.9427603073829479,0.6672705718216467,1.1754653076893402,0.0,0.0,1.8436062701147105,1.052146795067894,1.0171840031812753,0.9449974341168057,0.6279055376758124,1.130134602253219,0.0,0.0,0.5664128974473799,0.5503166783954959,1.1271553654431175,2.0471562919838773,1.577429467084639,0.10962830273175098,0.0,0.0,24.87008861433612,12.685044307168052,19.90762340072387,25.227231471478966,3.6038902102112806,12.685054800108704,0.49999999999998757,0.1865548598209743,0.026650694260139187,-1.1753209500320225,23.446946170020354,3.349563738574336,2.208318181384515,24.87937819436271,12.688954676280048,19.912660623115524,25.23547187878942,3.605067411255631,12.688965123558667,0.4985311581973839,0.1862517810835969,0.026607397297656703,-1.1764591012322696,23.44591306731543,3.349416152473633,2.2082873378017043,33.26408682855019,16.23304893621707,24.899487225843643,32.69409471703872,4.670584959576961,16.233049165284452,-0.7979889561160469,0.07256689636452884,0.010366699480646977,-1.8362725038553234,40.30367952927517,5.757668504182168,2.587509937768483,24.88912832483119,12.693058962634534,19.917948686910858,25.244120896572532,3.606302985224647,12.693069362205328,0.49698960043787643,0.18593368300717822,0.026561954715311174,-1.1776556482723577,23.44485458798842,3.349264941141203,2.2082557351828482,42.34951803919599,20.092464755258845,31.139746074741296,40.80338337585435,5.829054767979192,20.09246475949403,-2.1645885286783013,0.26083220787607486,0.03726174398229641,-0.9407145720681498,31.019022836754043,4.4312889766791494,2.4042204593263254,25.845587228620772,13.095927800188687,20.44227845308608,26.092921779875486,3.7275602542679267,13.09593445106513,0.34626837175660086,0.15476929993540672,0.02210989999077239,-1.3060737608277748,23.468592646749524,3.352656092392789,2.2089641309000836,25.19617202248144,12.857773862034408,21.165890308772966,25.606796013231005,3.6581137161758583,12.857785177610136,1.1726984126984146,0.3229504862404855,0.04613578374864079,-0.7911793826182544,27.653958459803007,3.9505654942575723,2.3238382165772675,0,11.996400532441285,15.998258482713187,-0.349586119599016,0.2611993522657996,3.878932685945002,6.466382089347186,6.0,16.0,15.0,15.0,5.0,1.0,1.0,0.0,0.0,1.0,13.806069999999998,3.5209480328897076,3.031096698198695,2.605962957704552,2.057705809987078,1.332142786958744,1.0861283200829672,0.08392307051869144,0.08392307051869134,1.7951023688651964,1.4563195304814285,1.2474220460826417,0.7327498182117111,0.4026406132239747,0.08392307051869104,0.08392307051869115,0.08392307051869118,3.4319483832494595,2.9561478048910463,2.5798933961152133,2.0167629043911437,1.4048359457810997,0.6342167425847809,0.2709139018929377,0.2709139018929376,1.7662400997692107,1.4536005881140066,1.1772094777652733,0.7096524200613574,0.4038487748974335,0.27091390189293696,0.27091390189293707,0.2709139018929372,3.610440844255015,3.215326539510228,2.854355581899321,2.3682548659369487,1.8602836629453718,1.2559499209061344,0.9439184268026233,0.9439184268026226,1.5553650117932871,1.1328462429614918,0.8478891627191073,0.3001264870683203,0.10861476075707426,0.9439184268026218,0.943918426802622,0.943918426802622,3.4265446467009135,2.9407957933803455,2.602613389846262,2.022446621768737,1.466277920294015,0.4651442148420487,0.3992772455089826,0.39927724550898225,1.760473263559655,1.4448186537809402,1.134137036898294,0.6933068820226777,0.3334987266186591,0.3992772455089814,0.39927724550898197,0.39927724550898197,3.636246234642396,3.2665580077299383,2.9423322542255246,2.4576073790446396,2.0338682324819213,1.2090580278480147,1.2076448229620886,1.207644822962088,1.5152284138782264,1.0822316287285711,0.7547134961641944,0.2149323507027,0.27078719174002575,1.207644822962087,1.2076448229620873,1.2076448229620877,4.781489064930893,3.307075706878258,3.2186655126215427,2.48495464632197,1.8747619618484634,1.6014748448594085,0.576923076923078,0.5769230769230775,1.6478717533422507,1.1057470563962077,0.9411475130266529,0.35841515714393,0.15014435783312485,0.5769230769230766,0.5769230769230768,0.5769230769230771,0,0,1,0,0,1,2,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.49279927982674443,0.4082482904638631,0.20412414523193154,0.10059223176554563,0.08333333333333333,0.041666666666666664,5.698670612749268,3.308060412490447,2.302095140581215,1.4783978394802335,0.696923425058676,0.20412414523193154,0.0,0.0,0.814095801821324,0.5513434020817412,0.38368252343020254,0.2956795678960467,0.232307808352892,0.20412414523193154,0.0,0.0,4.730710143300821,2.3771567527075472,1.326132613160078,0.6817950458626714,0.3061862178478973,0.10206207261596577,0.0,0.0,0.6758157347572602,0.3961927921179245,0.2210221021933463,0.13635900917253427,0.10206207261596577,0.10206207261596577,0.0,0.0,9.13873722776308,17.10050983248361,16.325490196078437,16.60000000000001,9.953251497005985,131.45031736526948,0.5375727781037106,1.0059123430872712,0.9603229527104963,0.9764705882352946,0.5854853821768227,7.732371609721734,0.9595,26.92399999999999,14.863578688632563,22.55648516754926,29.72715737726513,4.246736768180733,14.863579652764017,0.0590165062219169,0.008430929460273842,-1.9809566754114147,24.428182014219445,3.489740287745635,2.2370162264673326,45,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.54125,-0.1226851851851849,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1865277777777778,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.342175925925926,0.0,1.405925925925926,0.0,0.0,0.0,0.0,0.0,0.0,-0.1226851851851849,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.189583333333333,4.351666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.351666666666667,-0.1226851851851849,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.30562500000000004,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.400787037037037,0.0,0.5381944444444444,0.0,0.0,0.0,0.0,0.0,0.0,-0.1226851851851849,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.189583333333333,4.351666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.189583333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5125,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9413888888888888,0.0,0.8677314814814815,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.189583333333333,4.351666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.166666666666668,2.738095238095238,0.6270833333333333,10.189583333333333,0.30562500000000004,-0.1226851851851849,2.138774907407407,1.7893518518518516,3.189583333333333,8.0825,1.7893518518518516,3.189583333333333,8.0825,3.16666,0.45238,0.0,0.04762,0.5549,0.91905,0.42174,0.5549,0.91905,0.13316,0.0,-0.13316,0.0,0.49223,0.22206,0.0,0.42105,0.1579,0.0,5.25,0.75,3.75,0.53571,1.5,0.21429,-2.25,-0.32143,0.0,0.0,4.36463,0.62352,7.07892,2.71429,0.38776,2.18293,0.31185,3.30805,1.12513,0.16073,0.10595,0.01514,0.10595,0.01514,0.0,6.02,2,2,2,2,0,0,0.8,1.3328204045850196,2.133387491316597,3.292770193936991,3.292770193936991,3.2927701939369904,2.8118922126134214,22.657946877945335,36.26758735238215,55.97709329692884,55.97709329692884,55.977093296928835,47.802167614428164,0.32607523452795834,0.5219344062988477,0.8055780130174209,0.8055780130174209,0.8055780130174208,0.6879309541938915,2.7546424366653204,1.9540753499337429,0.7946926473133491,0.7946926473133491,0.7946926473133495,1.2755706286369186,0.32607523452795834,0.5219344062988477,0.8055780130174209,0.8055780130174209,0.8055780130174208,0.6879309541938915,12.494984980042707,22.57177997611575,23.740234885484394,23.740234885484394,23.74023488548439,17.969699109601564,25.893088088867948,15.563339137283139,15.16282350335551,15.16282350335551,15.16282350335551,12.277555615414093,7.0,4.166666666666667,3.84,7,3,4,1.7899999999999998,0.8875000000000004,0.19999999999999996,1.8072040072196898,0.8164965809277259,0.0,1.0,1.4142135623730951,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,2.859,6.0,5.0,3.0,1.0,0.0,0.0,0.0,0.0,0.0,28.0,2.0794415416798357,2.1972245773362196,2.0794415416798357,1.6094379124341003,0.6931471805599453,0.0,0.0,0.0,0.0,0.0,3.5553480614894135,1.2142857142857142,0.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.5,5.0,0.8333333333333334,0,3.0,5.0,0.6666666666666666,1.5,0.666666666666667,0.25,0.08000000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.25,0.11111111111111116,0.05,0.026666666666666672,0.0,0.0,0.0,0.0,0.0,0.0,0.4377777777777778,14.863578688632563,22.55648516754926,29.72715737726513,4.246736768180733,14.863579652764017,0.0590165062219169,0.008430929460273842,-1.9809566754114147,24.428182014219445,3.489740287745635,2.2370162264673326,26.3,109.9803765304556,3.807354922057604,3.2188758248682006,3.8501476017100584,4.532599493153256,5.187385805840755,5.877735781779639,6.53813982376767,7.2305631534092925,7.892452043520352,8.585412430393381,65.9133119584426,2.5649493574615367,0.0,3.6109179126442243,0.0,4.844187086458591,0.0,6.150602768446279,0.0,7.48605261786314,7.796469243086058,102.06807956,6.00400468,12.665375228258844,1.809339318322692,5.076588817323222,5.076588817323222,0.0,50.0,5.0,1.063,24.0,1.2270625,2.096259625729632,2.853249130856448,3.612576601846804,4.799419847110723,5.7866603931768,6.79785035024447,0.0,0.0,0.0,96.90864932293748,104.58702476173985,114.53930824579734,131.7877546161516,92.72222852750747,41.391492775628656,6.907051018270796,0.0,0.0,0.0,275.0821313667132,308.6864297218084,372.13032769185645,450.38236564745563,479.1000958081691,447.7156262592769,211.30264296670882,0.0,0.0,0.0,9.573754285749999,16.338866809512336,21.855662459009615,28.713055488928045,37.57296347955138,40.155548481714085,45.67111285550485,0.0,0.0,0.0,1.8990563743937503,2.286851618928074,2.817367903445125,3.3898317990923705,3.988599663321173,4.714646748012664,3.0224119909509852,0.0,0.0,0.0,180.4501067885592,340.56000826235584,472.68799461578965,601.8967643467112,824.5692734481617,968.2522680995431,1257.042525579426,0.0,0.0,0.0,3.969661458333333,6.765942789536074,8.362783605478281,12.702766465606045,13.557930807597263,8.988517631056357,6.79785035024447,0.0,0.0,0.0,0.4455267187500001,0.5604010664944501,0.69731645935307,0.8809039065739279,1.0027377895755494,1.0331295801935314,0.6960998758650336,0.0,0.0,0.0,326.7608479909973,227.5769962554017,12.817801201712859,178.93494827850478,-124.62165618893151,-22.19128003462304,147.82589971249254,352.1986524443332,35.0090812363359,0.6461608943588204,0.4500274630207097,0.025346861287495904,0.35383910564117954,-0.2464360137225987,-0.043882666611680846,165.24158721450513,115.08473033399686,6.481908185124365,90.48665115014064,-63.02064765888585,-11.222037027348204,0.3750051908005316,0.4579586401868319,2.6888969193346663,8.033959552709971,445.07067478115783,60.62512148834422,0.8801154331604625,0.11988456683953741,523.9030214831149,22.88892792341124,8.061520592919392,620.7733823009912,24.915324246354718,8.530563018457459,838.8366415498501,28.962676698638372,9.431030099668698,2.0926576490258073,2.0926576490258073,444.43807025560324,395.7692319853877,62.06900143938644,1.1229727688179976,7.1603869878528625,6.3762783806321846,3.6956962279732135,4.193003681563746,7.360793762365869,0.7554942283334037,2.802231591930009,3.344511072941334,4.4959593933536635,7.72009590353086,4.819498494895237,1.5277456492036803,1.8951175208827318,5.890390553523713,0.08443966750298573,2.2231406815137564,2.928966824503847,4.6321955137857795,0.3692427642432965,0.28803230969106725,3.601021054200895E-18,8.68339251251928E-57,4.038583901108325E-117,3.622802773541082E-199,6.268103777450433E-303,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25167940002953026,3.4955183099274914,0.4402181349183014,2.86255783440295,0.2608655800745924,1.0721664571042138,0.2582319299793765,0.34462887683909116,0.016068422139041257,0.19714589079505063,1.1423442761349665,0.09781655959438201,0.002600845601035291,0.00202863510819814,2.5362285723250467E-20,6.115784346573873E-59,2.844407663147048E-119,2.5515696153551906E-201,4.4146767417876535E-305,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7650343458254906,3.214432911283772,0.8903890918536569,2.934106141854333,0.82953394003192,0.9507046170090053,0.4708684511195289,1.0177477256027845,0.026092451285839903,0.40535214126793445,1.4774629975783504,0.5074668427567027,0.027100942872182357,0.021139941913314354,2.6429457166134654E-19,6.373118818581599E-58,2.964092089982787E-118,2.65893226625151E-200,4.600433538308633E-304,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6501931389005207,3.4950794470194277,5.238171073835199,8.145868912668888,4.661226362774315,1.7562497455657466,2.0704134046431992,5.744446239456849,0.08249963649741074,2.546734058530857,2.8091305289604103,4.172091107711667,0.32898881956785614,0.25663160233282273,3.2084449281575374E-18,7.736746396828856E-57,3.598305547070764E-117,3.2278520479415357E-199,5.5847676176358164E-303,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1199381230249228,3.1076274956681136,1.0266149485823608,3.092585563863075,1.2642636553417463,0.8895955973343084,0.5798322926683006,1.5259130092954925,0.03431767076280035,0.4773407621346875,1.7162911510803636,0.9418642078367006,0.05886628213407913,0.045918778694866144,5.740831264407716E-19,1.3843265692334806E-57,6.43840410107275E-118,5.775556186450266E-200,9.992756385625971E-304,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.3841235046091978,3.4399642489354187,6.350884155015431,10.180280571146602,6.536153916397244,1.8650116388621985,2.5169257986750955,8.02409870332339,0.10199721464148279,3.167773691994267,3.3845438493878386,6.542984811189729,0.5385050913168405,0.4200680539549202,5.251750777929403E-18,1.266391190062322E-56,5.88989506729931E-117,5.283517368506823E-199,9.141440273159558E-303,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7222650917242261,3.516072304451623,5.371151013671763,8.650479433362927,3.47852725457625,2.4371563513541337,1.8162904950298302,4.120963264851152,0.06827751607054264,2.0441470100759003,2.5411643444853924,1.8240183041469546,0.12289988211985453,0.09586874213090253,1.198564699992901E-18,2.890182419107748E-57,1.344203221522741E-117,1.2058145326135257E-199,2.0862771448614602E-303,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.7149029658055905,0.6786413775889111,0.39106237058823545,0.842333713172712,0.10002663473333907,0.5685136722936074,0.5080193706056244,0.47057008128457817,6.784606713982737,6.378644228890117,14.679935361074534,0.7635005697590681,1.5471031241838098,3.9590053997351387,0.5541065512311028,0.06561292415184121,0.8646523885392958,0.12101765586359078,0.27280500554350084,0.3374006846901497,0.013246801870463145,4.578724875118082,2.489829300480067,7.212489957789918,0.7969785828089437,0.6234524921041137,4.8128736417925175,0.5154137472016651,0.19707886450887485,0.8710506093132158,0.09328137241126688,0.4031561921159491,0.29146613022397777,0.11951223189537681,5.525366253503057,3.530714066924337,9.544958337392384,0.8065759139698234,0.8141345542353037,5.541241986295821,0.6962743010637689,0.36696137607223484,0.8390129043780392,0.10542458261596575,0.5344988503126875,0.5351579501850624,0.41435536422584507,6.604477663431824,6.147151951115786,14.167448946276663,0.7585193565670589,1.484012164723595,5.22203048388562,0.5213727972776655,0.26668864997132713,0.8688769728851354,0.08674955445801948,0.4746200494439046,0.29833293619123086,0.2188473640274603,6.010091931134612,4.254325108147014,10.990510129129298,0.8033154593277031,0.9918003496625958,5.791790064758949,0.7081880008769454,0.4118186637127623,0.8379572333436875,0.10246076796064611,0.5839288015486525,0.5537028695460681,0.5218483375650084,6.911796729348657,6.778488508613034,15.379432060936917,0.7569358500155314,1.6594800086597288,5.571196367232449,0.7021249568320844,0.37085314430128835,0.8385084398006064,0.10567527390724533,0.5404377390373305,0.5483876887783373,0.4231907683895363,6.644174468365822,6.238156947087803,14.332988762822133,0.7577626597009097,1.512016196205204 +UMLCN0404,L,methyl erucate,CCCCCCCCC=CCCCCCCCCCCCC(=O)OC,Esters,Olefins,C23H44O2,BioCompoundML (2016),Unknown,PubChem,,74.2,0,-3.243700000000004,10.521589690000026,85.3325,71.42289199999993,0,0,69,25,44,0,23,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3874.717600999997,4138.750380000003,4699.068984000017,4546.840019000034,4229.498389000034,3990.457068000001,3793.700339000001,3596.9436100000007,3400.1868810000005,11541.35504912426,14850.45456326622,19771.948169341616,20987.317972936085,20122.220506091653,19055.883735845702,18049.0853908906,17042.287045935525,16035.488700980437,495.74771599999946,501.6282960000005,943.7198880000009,1277.856740000003,1240.8682600000027,1189.8806400000028,1126.9957400000028,1064.1108400000028,1001.2259400000029,84.99407581335575,111.58086963999988,162.13379816437615,182.13751598767558,175.16342680143055,167.2052714131285,158.18374255373246,149.1622136943362,140.14068483493998,11423.549450741957,9860.103562502598,20245.07716851197,29549.036837254327,28593.618627290747,27668.616554309203,26189.661399270622,24710.706244232046,23231.751089193465,164.52777777777777,146.0,249.91666666666666,298.33333333333326,295.5833333333333,268.3333333333333,256.0833333333333,243.83333333333331,231.83333333333331,56.15532755072459,60.863976176470636,36.14668449230782,25.260222327777967,24.307462005747322,23.75272064285715,23.859750559748434,23.97962406666667,24.114800574468088,167.2660152046994,218.38903769509147,152.09190899493552,116.59621096075603,115.64494543730835,113.42787938003394,113.51626032006666,113.6152469729035,113.72687021971942,7.1847495072463685,7.37688670588236,7.25938375384616,7.099204111111127,7.1314267816092105,7.082622857142874,7.0880235220125964,7.094072266666685,7.100893191489382,1.2317982001935617,1.640895141764704,1.2471830628028935,1.01187508882042,1.0066863609277619,0.9952694726971933,0.9948663053693865,0.9944147579622413,0.9939055662052481,165.5586876919124,145.0015229779794,155.73136283470745,164.16131576252403,164.33114153615372,164.6941461566024,164.71485156773977,164.73804162821364,164.76419212193946,2.3844605475040255,2.1470588235294117,1.9224358974358973,1.657407407407407,1.6987547892720305,1.597222222222222,1.610587002096436,1.6255555555555554,1.644208037825059,0.3516087932726391,-0.1538174177626109,-0.007747792400138941,0.01384392284650936,-0.03619858799471126,0.004995223056571288,1.9271474361958136E-4,9.824914448085427E-5,0.0017930097748716412,2072.8498385507264,-20.100764020998895,-697.6042861390392,53.215840751735804,-231.0737571858818,2.1985288620061,0.4992465860135269,-1.200035689979046,-2.8993179659718464,3431.2600046818957,-151.98514634414002,-1365.111954991638,8.048316612298784,-221.67535178273386,5.21142938090339,4.580448207788329,3.9494670346730416,3.318485861558436,2.335887072463772,0.06010340684727846,0.6636795446334606,0.03811065154380708,-0.300796501575295,-0.02747414744799842,-0.03600226843098725,-0.04453038941397627,-0.053058510396965214,15.286486990694227,-1.0191936128501444,-5.762739711830449,-0.24992387336077704,-0.4732118605589205,0.0072642265317851284,0.007125996415723174,0.006987766299664772,0.006849536183604593,83.88786643212907,-6.108022102503554,-30.307827290522663,-1.851557928955806,-1.776504347312496,-0.002670217903481209,-0.0026731247802329605,-0.002676031656984712,-0.002678938533743569,44.07326892109499,1.7788396461994478,9.575725221125342,2.8028250367569876,-7.118339984597098,-1.2411958272071861,-1.4562766925716057,-1.6713575579360236,-1.6364384233004379,0.0050957796126469435,-0.0022620208494501604,-5.9598403077991856E-5,7.691068248060756E-5,-2.0803786203857046E-4,2.973347057482909E-5,1.2120424127017695E-6,6.549942965390285E-7,1.2716381382068377E-5,30.041302007981542,-0.2955994708970426,-5.366186816454148,0.29564355973186557,-1.3280100987694357,0.01308648132146488,0.0031399156353052004,-0.00800023793319364,-0.020562538765757775,49.72840586495501,-2.235075681531471,-10.500861192243368,0.044712870068326575,-1.273996274613413,0.031020412981567796,0.02880785036344861,0.02632978023115361,0.023535360720272597,0.03385343583280829,8.838736301070362E-4,0.0051052272664112355,2.1172584191003933E-4,-0.001728715526294799,-1.6353659195237155E-4,-2.2642936120117766E-4,-2.968692627598418E-4,-3.763014921770583E-4,0.22154328972020618,-0.0149881413654433,-0.044328767014080374,-0.001388465963115428,-0.0027196083940167846,4.323944364157814E-5,4.481758752027153E-5,4.658510866443181E-5,4.857827080570633E-5,1.2157661801757838,-0.08982385444858168,-0.23313713300402047,-0.010286432938643366,-0.010209795099497104,-1.589415418738815E-5,-1.6812105536056356E-5,-1.7840211046564748E-5,-1.8999564069103325E-5,0.6387430278419565,0.026159406561756585,0.07365942477788724,0.015571250204205486,-0.040909999911477576,-0.007388070400042775,-0.009158972909255382,-0.01114238371957349,-0.011605946264542113,-0.4439008397922413,-0.011695639844799755,0.015093015853693327,-0.040825521873483775,0.005834920823701868,2.3785220414432093E-4,1.285366217395731E-4,0.0024954731853999864,-0.009839768956036127,-0.1786269721275206,0.009841236563359248,-0.04420614320965857,4.356163164295605E-4,1.0451995837167677E-4,-2.6630796265315307E-4,-6.844756182769509E-4,-0.04494565314643619,-0.21116424324479738,8.991414321575304E-4,-0.02561908535884183,6.23796649862624E-4,5.793037171085008E-4,5.294716324238525E-4,4.732780050136017E-4,0.02610883085758906,0.15080381476268415,0.0062541906515985015,-0.051064699454211784,-0.004830723615766166,-0.006688519366821219,-0.008769250608002916,-0.011115607114016305,-0.0676533303462826,-0.2000907681296262,-0.006267244495958169,-0.012275742575870665,1.9517379062207915E-4,2.022972014944485E-4,2.102754216716091E-4,2.1927213804154178E-4,-0.07388250793059101,-0.19176148901453396,-0.008460864520146534,-0.008397827860305263,-1.3073364308497267E-5,-1.3828403693237747E-5,-1.4674047804147084E-5,-1.5627646482447997E-5,0.04095450818483013,0.11531934059108465,0.024377957215148287,-0.06404766569381623,-0.011566576976979227,-0.014339057351748626,-0.01744423537149033,-0.018169977218778756,1.5377870545354801,1.0577881148191741,0.8235002301884845,0.8676941726967083,0.7255305176081278,0.7561933614198242,0.7853117820089953,0.8161727920886229,1.296431783924535,1.295827474344512,0.9467710776252521,1.018648146277699,0.9419237270179188,0.945283185386845,0.9490457787600419,0.9532887032021575,1.4584951594100821,1.3799513927442488,0.9907285302238351,1.0115452265540712,0.979792867597165,0.9791329865777636,0.978393919836034,0.9775605041485517,0.7527966658701868,0.773235535912537,0.7144013166012677,0.9491399435673343,0.6816700213151615,0.7115708855528077,0.7450598534989714,0.7828240088425176,1.522355677981781,1.3870234732016595,0.998838843730306,0.9986222185258901,0.9802641883701135,0.97943699300748,0.9785105342013309,0.9774658040582264,1.53312466044994,1.3811640484039305,0.9977155517224255,0.9937050687939212,0.9764356613303872,0.9759633187051587,0.9754342949649031,0.9748377362790829,0.5880359524287986,0.5505595082679065,0.7425135643690972,1.1379518227878884,0.6780736116584417,0.711603296190809,0.7491565428670603,0.7887682087492175,407.31022664387183,203.9051133219356,325.1081687168474,407.77022664387135,16.310809065754853,203.9051133219356,0.49999999999940314,0.035569537565690645,0.0014227815026276259,-8.340664234474264,354.11842774918097,14.16473710996724,14.674078497128855,407.32305732162985,203.9107942399134,325.1145042087157,407.781705987171,16.31126823948684,203.9107942399134,0.49853115819695404,0.03551413702465933,0.0014205654809863733,-8.344561089312432,353.93980818109253,14.157592327243702,14.672817163224288,418.8985406331176,209.0502758385005,330.87364760460207,418.16439079349016,16.72657563173961,209.0502758385005,-0.7979889561165407,0.01405968222694437,5.623872890777748E-4,-10.661109985170224,279.5072247094434,11.180288988377736,14.082570352382968,407.33652390689934,203.91675675366855,325.12115381362446,407.7937543393021,16.311750173572083,203.91675675366855,0.4969896004377574,0.0354559921238673,0.0014182396849546919,-8.348657524988907,353.7528572076808,14.15011428830723,14.671496314592503,431.59931715293,214.71736431212582,337.2903109997672,429.60789570654606,17.18431582826184,214.71736431212582,-2.1645885286783653,0.06798421394204157,0.002719368557681663,-6.721199371669203,255.83027288982714,10.233210915593085,13.861285570190155,408.6567066518923,204.50148751182428,325.7736194160068,408.9752735539079,16.35901094215632,204.50148751182428,0.3462683717562527,0.0297624603173664,0.0011904984126946561,-8.786268501199668,337.67021439144213,13.506808575657685,14.555174305285135,431.7550395493663,215.89434411924694,345.57527080315066,432.5465095286621,17.301860381146486,215.89434411924694,1.0414078674944562,0.02012170487386572,8.048681949546288E-4,-9.764890505147083,240.52094729767379,9.620837891906952,13.707017961759373,0,11.996137048297806,15.998265860340663,-0.34961274752367755,0.2612721532723207,4.036155484154317,7.807931665843139,24.0,68.0,66.0,66.0,22.0,2.0,2.0,0.0,0.0,2.0,50.975107999999985,3.585344327704591,3.558450652119811,3.4804760756355404,3.408813948286561,3.2764084286185464,3.1473761788836656,2.9906753028745565,2.815281101930804,1.954073951451469,1.9241348404162406,1.8632910520367805,1.7865295367843606,1.6954414642190994,1.584768751991025,1.4856386204969838,1.4130465155205687,3.606074325624017,3.5517774153501316,3.484789481031507,3.4018156527545265,3.271588754463373,3.1514007994067144,2.9916800504485295,2.8331110107387203,1.8991644377964005,1.8674995582423006,1.81015808592003,1.7332715534412229,1.6447292394962114,1.5398191914957822,1.4401121321682133,1.343148416463557,3.7161687111600874,3.6797030523081378,3.620218771623222,3.5447967116471664,3.434118273135751,3.3190599473474105,3.1828729507526483,3.0431243998575033,1.7363960379467382,1.6923233442920187,1.6287484968426695,1.5424908149370509,1.4296659354884416,1.3125764174242525,1.1755635233024544,1.0533366758465972,3.6238644291548603,3.568701724422417,3.5017012576494615,3.4137558941042445,3.2845944201197494,3.163916396752134,3.0036975988304464,2.853490190368444,1.8649684832180895,1.8337392852137573,1.7802104231054612,1.7054446193270598,1.6169197722393511,1.51210548099311,1.4028733302337233,1.292992894866041,3.7690400080426167,3.7311038097105493,3.6719857477679234,3.5931520933168137,3.489620428374544,3.3785858102693087,3.252748582688149,3.1289329459537583,1.6868819102517323,1.639793754847978,1.5757036243457188,1.4912288662218591,1.373042151781143,1.2561974347953773,1.11174554835483,0.9748099049884283,5.076220706475334,3.706164860018105,3.557151053475329,3.5196430208293443,3.4204450236311397,3.369497888559731,3.279391240024798,3.1321876451715918,1.8285999842938867,1.7949885031358295,1.7175654548112447,1.6128388168132144,1.5197894437216124,1.3620072210956227,1.2474441600873165,1.0867834040306203,0,0,1,2,0,1,18,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.49279927982674443,0.348461712529338,0.24639963991337221,0.10059223176554563,0.07112944921610614,0.050296115882772816,18.426592674107127,12.308060412490448,8.666056171260145,5.997400240710626,3.7753505498048674,2.5445759751233816,1.7108985796057965,1.1472879875616908,0.737063706964285,0.5128358505204353,0.36108567380250606,0.2607565322048098,0.1797785976097556,0.12722879875616908,0.09004729366346298,0.06373822153120505,17.199119180664837,11.026986666968606,7.324634871446569,4.870373422216445,3.149246248265586,2.060186711108223,1.3389208637372771,0.8634266888874446,0.6879647672265935,0.45945777779035857,0.305193119643607,0.2117553661833237,0.149964107060266,0.10300933555541114,0.07046951914406722,0.04796814938263581,36.349809892122934,67.19373634377288,63.658823529411656,64.52000000000008,41.52867784431144,529.6733485029939,0.5268088390162744,0.9738222658517809,0.9225916453537921,0.9350724637681171,0.6018648962943687,7.6764253406231004,7.68349000000001,109.66600000000008,212.71090562908762,338.35841974176776,425.42181125817524,17.01687245032701,212.71090562908762,0.03992692896682892,0.001597077158673157,-8.051760678218203,309.3297210646332,12.373188842585328,14.336019416142815,837,0.0,0.0,2.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,19.0,3.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,18.0,0.0,2.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.610634515836828,4.724654149668308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4832672008606882,0.0,0.0,5.150112724160569,1.121220850797173,0.0,0.4832672008606882,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.742443720438202,0.0,23.088934280723336,0.0,4.7931510226277965,0.0,0.0,0.0,0.0,-0.06849687295948859,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.96713390864711,4.643500607189718,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.643500607189718,-0.06849687295948859,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24163136792059955,0.0,0.0,0.2103562568072507,0.3001779513888889,0.0,0.24163136792059955,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.465999780499204,0.0,0.5861854110480483,0.0,2.3961813060753703,0.0,0.0,0.0,0.0,-0.06849687295948859,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.96713390864711,4.643500607189718,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.96713390864711,2.3969697165524257,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2416358329400886,0.0,0.0,0.5157154010519396,0.5157154010519396,0.0,0.2416358329400886,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.276443939938998,0.0,1.4243115621133033,0.0,2.3969697165524257,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.96713390864711,4.643500607189718,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,47.166666666666664,1.8866666666666665,0.5579904513888889,10.96713390864711,0.2103562568072507,-0.06849687295948859,14.097342355961022,1.7351635396261553,3.9671339086471096,12.360458956807241,1.7351635396261553,3.9671339086471096,12.360458956807241,12.16666,0.48667,0.0,0.01333,0.46715,0.76133,0.42987,0.46244,0.76133,0.03728,0.00471,-0.03257,0.0,0.63923,0.07506,0.0,0.10959,0.0411,0.0,15.25,0.61,12.75,0.51,2.5,0.1,-10.25,-0.41,0.0,0.0,31.75767,1.27031,37.54934,5.79168,0.23167,10.64003,0.4256,12.30805,1.66802,0.06672,0.10595,0.00424,0.10595,0.00424,0.0,24.02,2,2,2,2,0,0,0.8695652173913043,1.0903082798310333,1.8500378162999203,2.905120062805949,3.6515184049630807,4.156538269907726,4.441342392435308,75.23127130834129,127.6526093246945,200.4532843336105,251.95476994245257,286.8011406236331,306.45262507803625,0.17848963158708486,0.30286165331581383,0.47558458402869386,0.5977742138547494,0.6804488218583667,0.7270728674102441,5.018216176947137,4.2584866404782495,3.203404393972221,2.4570060518150894,1.9519861868704442,1.667182064342862,0.17788512568546364,0.3018359261899508,0.47397388157382797,0.5957496814665144,0.6781442883966351,0.7246104283579022,9.125420923130863,16.488080037630567,20.506499077342188,23.55311770149965,25.160764730914714,25.431888197992937,93.4896738340084,70.0086345290045,58.02741976175906,45.2130235619489,37.4034364024316,35.89438575302895,25.0,22.041666666666668,21.958412098298677,25,3,22,3.7699999999999996,3.3806999999999965,0.04347826086956522,4.204007295201276,0.3086066999241838,0.0,35.802699138858394,2.408373083650825,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.446,0.43,0.658,0.21600000000000003,11.780999999999999,24.0,23.0,21.0,20.0,19.0,18.0,17.0,16.0,15.0,222.0,3.295836866004329,3.367295829986474,3.367295829986474,3.295836866004329,3.295836866004329,3.295836866004329,3.295836866004329,3.295836866004329,3.295836866004329,3.258096538021482,5.666426688112432,1.2972972972972974,0.4782608695652174,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.0,0.8333333333333334,22.0,0.9166666666666666,2,12.0,23.0,0.9166666666666666,1.5,0.666666666666667,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.0625,0.02777777777777779,0.010869565217391304,0.007619047619047621,0.005555555555555557,0.004296455424274973,0.003472222222222222,0.0029048656499636887,0.0025000000000000005,0.002203856749311295,0.14985454495857667,212.71090562908762,338.35841974176776,425.42181125817524,17.01687245032701,212.71090562908762,0.03992692896682892,0.001597077158673157,-8.051760678218203,309.3297210646332,12.373188842585328,14.336019416142815,26.3,418.6716410952585,5.643856189774724,4.574710978503383,5.25227342804663,5.942799375126701,6.6293632534374485,7.323170717943469,8.012680929706839,8.707978826622321,9.398892478520773,10.095057874011232,114.93692786191879,3.8918202981106265,0.0,4.976733742420574,0.0,6.18826412308259,0.0,7.455298485683291,0.0,8.752897524775305,9.077951183930438,352.3341306480012,5.106291748521756,48.654899700278854,1.9461959880111541,5.135514157638909,5.135514157638909,0.0,2558.0,23.0,10.789000000000007,96.0,1.2344517661128367,2.1398824491933635,2.8876860188874485,3.6521516027673644,4.981529288941018,6.009679236027122,7.3341377678832,8.446714744129523,9.7541906491887,10.90853705001446,87.17875210645045,86.46177270142631,87.59166143011983,113.50954296973151,140.22350068970297,169.94430267578582,200.2885067317009,231.00700560313743,262.4029824340569,295.43364211513574,296.64679574984643,349.2724837979016,372.7670813955488,498.43240596367565,626.0343228245908,762.4859356209173,902.6933869978551,1042.136350841691,1183.8677378921366,1333.1133580966748,9.155883613765829,15.600571784773868,20.567589438390545,26.23141853620834,35.43874006950706,42.82218203544823,52.21304844202964,60.20757826158668,69.53703674530485,77.90813607263756,2.16869499368359,2.8088965016244263,3.1248090366122807,4.162850586119573,5.326528120444341,6.485230143309702,7.7176652872901395,8.906547881180344,10.13877736258632,11.401022006308645,176.76634807805996,329.6053728002067,469.976844076933,584.7545845192184,810.3600146312489,974.145459577726,1196.1141853012493,1375.971368610215,1594.401120791894,1779.4553967967825,2.7411235807374355,4.251736787966546,4.906206635673523,6.478330136160036,8.218147818145102,10.038687698630415,12.226944656250625,14.260460044410493,16.49801615726861,18.54926257268827,0.4607471562507532,0.6081942239462514,0.6801281773325557,0.9052167481458547,1.1580839208625828,1.4111426359556665,1.6841224549784208,1.9463371909302214,2.2212907749222257,2.5018102656860703,826.6010673471357,1388.7757622999743,26.700871338705287,146.6121404820398,-246.32364414171275,-20.364773252313977,679.9889268650959,1635.099406441687,47.065644591019264,0.8493524961410367,1.4270005288951453,0.027435788092378618,0.15064750385896333,-0.2531034743056519,-0.020925294774553176,804.4590763479262,1351.5749145833663,25.98564064737546,142.68487154522765,-239.72542387932853,-19.819266303598276,0.155458911549389,0.18984024507731212,0.821347485095794,3.492556780956785,919.0601026376918,54.15310519148363,0.94435638074387,0.05564361925613008,1655.9077437506496,40.69284634614111,11.830743693165733,2095.2971097455056,45.774415449522735,12.79622510295643,2933.2847790424726,54.15980778254731,14.314782143637737,5.944963051896954,5.944963051896954,27568.59303509519,27450.812472371294,180.90623976411734,1.004290603888043,152.39160943835728,151.74055084094533,9.587670482858298,15.679427049162223,30.236909708169584,0.928444809454003,17.447478100001142,20.129938526787853,9.69029986068711,90.55505571258017,47.61478932089015,0.8514430135154886,22.272929898703463,13.835037886951078,76.07550445510175,0.6550055514012867,2.151782103456356,63.496639217558084,4.690239073041795,87.29440628049578,0.019109524428397834,2.7442911755242756,44.793272804743765,2.520010306672918,83.52668370907182,0.016318927112719067,1.0743612800181488,32.46250384462733,3.174137034972315,74.7062179588305,0.02799538730997491,2.50945982005988,19.287975956723002,4.035033659149965,56.35964859971661,0.04979788911548957,1.471780595801002,20.37389147519673,0.8484980568450957,21.649471568295336,0.3929522624629772,0.12999240682257412,3.288634464050487,0.1660640386593817,20.549415606860613,0.005267377421415469,0.21148328463250526,5.728421112081685,0.136036155146632,19.408288526955307,0.0010064296963941553,0.3979043175195327,2.590491135955483,0.09726747386689895,15.952983887085406,0.0013112741707990334,0.6839058668845912,1.0060996763813836,0.11943448172575041,12.078264529694483,0.002154589819204713,1.0464975579358198,0.456953363192423,0.13322734414961115,8.34944046697376,0.0034256409341771044,4.72944849786979,19.889898572926747,2.4741571793501302,25.89997613402086,3.5686606881814855,0.2654662023174149,6.97130020719339,1.1707699005053858,27.38555465084287,0.04975402686650825,0.38232215341590947,15.626811592183227,0.5751979105906833,28.916393624494518,0.003642454740842504,0.5630361785253127,7.241256766126818,0.3891659915151887,25.324550120710402,0.004271342134820622,0.6742720140501264,3.6688935565936367,0.48220740631420955,20.353118670552984,0.00708368330380544,1.078880901086426,1.8758081209188615,0.564910714687446,14.361735539552614,0.011554922638037745,16.471328295602117,20.387964916369302,9.644698884180592,83.62179627819032,42.589026257809685,0.8152232066373508,21.70004992848677,12.373539314058972,72.4984166550213,0.5840485181362715,1.9741135289681215,59.74805006671175,4.315971921079912,83.62531196594205,0.01762655536707814,2.5230335970769717,41.19480361248849,2.3000116434286055,79.72690417153392,0.015363620303530608,1.0755253453509988,29.878445986756,2.8948834446830656,70.80077309887125,0.02629118304118369,2.41807214610397,17.89039122550549,3.6675388075204127,52.87320878799617,0.04648628073145443,6.966875725719211,19.70701376968129,3.5016923860518,31.694378712052885,7.629848571926845,0.3615899427589459,9.389884610268483,2.389925038932346,33.17857153234192,0.10646294152644496,0.5675387102019177,22.99056611621726,1.0025060244209225,36.41857466642603,0.005766502454189667,0.7712177122485631,11.610948266266327,0.6497103379654803,32.78849341060661,0.006334012045984048,0.6964047926191859,6.466175766096977,0.8086638078695247,27.157863202744412,0.01056995661612231,1.1815652590238725,3.41998796625555,0.9694482545594256,19.539323777249393,0.01753218969275489,21.07036480884575,20.302366198070004,12.144641912730794,122.39311046817947,69.41679919342758,1.0245080757477107,27.074212172193892,19.985381039019764,96.09572129388754,0.9531308292310392,2.9500462364942797,79.32298114312955,6.582032481498821,109.63937602217587,0.025025747827281713,3.770227222098027,60.74087968529158,3.415981260512436,105.88103975283786,0.019897496956606735,1.2456979095421261,46.076803733371364,4.312827859695268,96.13421174895073,0.03444409339099019,3.1938638616795503,27.835956078449176,5.543840755933937,73.28218435518617,0.06259603673127945,10.98599526202617,20.235419881841242,7.326386924217788,52.03553780181449,19.79920908979439,0.5711846593777353,16.60690606108018,5.642140094934244,53.256063530061645,0.25940024929187344,1.0942325599809057,39.79161502564593,2.5815901980782403,63.505433004493305,0.009750082401116396,1.453941224189666,24.356640394026886,1.1949805090027583,59.722309415585926,0.009482643389599603,1.0628943442940777,18.521183735140184,1.595753155925517,50.442064858580586,0.01602439364692236,1.9034095846600492,12.098327220230836,1.8580119820184158,35.60200758753463,0.0274627108529514,76.15229509074364,0.8628133704786137,0.4538808080488701,0.9830035967817929,0.011137532303146461,0.5507174895449557,0.6667557288377722,0.5796556681460856,77.46898926927112,100.66089805727745,207.95222494557305,0.9745053951726895,1.7971288865288135,78.82323262126978,0.42539724817880636,0.08952935212127805,0.9935097233745739,0.0053618240245628555,0.589947398408793,0.15846713643037982,0.022553675714966453,79.33815922156987,40.62626473835679,122.96644934071537,0.9902645850618608,0.7709682105541392,75.1903855694683,0.5691322140250368,0.23341032223491026,0.9894392470948957,0.007489278650155557,0.5368791066643426,0.2895549573234107,0.15329449693901526,75.99292810572825,60.47632407075427,146.45764325964302,0.9841588706423435,0.9797285609267685,77.04174156711727,0.8553899792743533,0.43994317375061043,0.9834646218581367,0.010919350541620534,0.5636376389335427,0.6535243158820578,0.5446024806284542,78.33707472014223,100.17104500094487,207.50069766739452,0.975196932787205,1.7617644354440547,74.2441085545596,0.6446156505589371,0.30110458356467146,0.9874222318449283,0.008573176198746153,0.5234800199566859,0.37278779865100015,0.25510629854010547,75.1898287886832,70.40825245153754,160.0086197112391,0.9811333477673922,1.1513741171477916,76.56802105569525,0.9030244518895623,0.48145478013172405,0.9822394506024658,0.011584291056176133,0.5567425133175834,0.7299700028795708,0.6522250190792656,77.95250028771655,106.4416004275167,217.68322999813122,0.9733591759036986,1.9389375352764198,76.9578290403185,0.8614248539036189,0.44219779132902565,0.9833427234333642,0.011007013483020502,0.5624004589152759,0.6615224649532643,0.550198733467384,78.26145168555114,100.70488883269374,208.2811296691994,0.9750140851500461,1.7741216573359244 +UMLCN0405,L,methyl gamma-linolenate,CCCCCC=CCC=CCC=CCCCCC(=O)OC,Esters,Olefins,C19H32O2,BioCompoundML (2016),Unknown,PubChem,,29.2,0,0.6966999999999993,0.4853908899999991,86.5845,56.38137599999996,0,0,53,21,32,0,19,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3285.4683489999975,3416.408840000003,3823.313876000003,3648.7315030000004,3331.389873,3094.3806799999993,2895.5918229999993,2690.795285999999,2511.225964999999,9474.28250895577,11779.54755982267,15075.531814004433,15607.05924011851,14741.961773274064,13737.792491889984,12668.82665807299,11727.474284607968,10990.831278178013,384.9640839999998,386.0546480000001,688.9869440000012,875.3175880000024,838.3291080000022,800.778416000002,724.4565880000015,656.864616000001,634.6896680000008,68.50312095516797,87.06273791999995,120.69623148558384,130.9184654022048,123.94437621595974,116.87544663735572,106.96469196826177,99.1007157568658,93.41579573171481,8697.36020209097,7515.455565587802,14583.61738284843,19819.38870705737,18863.97049709379,18308.80372816074,16460.013269073665,14916.934656068568,14515.690308864117,150.52777777777777,127.5,209.41666666666666,236.3333333333333,231.08333333333331,207.91666666666663,197.49999999999997,173.66666666666669,163.91666666666669,61.98996884905656,65.70017000000006,40.673551872340454,29.907635270491806,28.718878215517243,27.62839892857142,28.669225970297024,29.247774847826076,28.216022078651676,178.76004733878813,226.52976076582055,160.37799802132375,127.9267150829386,127.0858773558109,122.658861534732,125.43392730765338,127.47254657182575,123.49248627166307,7.263473283018864,7.424127846153848,7.329648340425545,7.174734327868872,7.226975068965536,7.149807285714304,7.17283750495051,7.139832782608706,7.131344584269672,1.2925117161352448,1.6742834215384605,1.284002462612594,1.0731021754279082,1.068486001861722,1.043530773547819,1.0590563561214037,1.077181693009411,1.049615682378818,164.10113588850885,144.52799164591926,155.1448657749833,162.4540057955522,162.62043531977403,163.47146185857804,162.97042840666995,162.14059408770183,163.09764391982154,2.840146750524109,2.451923076923077,2.227836879432624,1.9371584699453548,1.9920977011494252,1.856398809523809,1.9554455445544552,1.88768115942029,1.8417602996254683,0.3562090876107387,-0.15565205962894088,-0.010676525916523308,0.020841712037464225,-0.03402790687285956,-0.01886065105103823,0.01167776470404119,0.028901604991892278,-0.03444180503084366,1671.6078514716949,-16.263437066567604,-464.3373846479135,23.62898357458264,-271.52970790031975,26.626013720185348,-20.445553672480948,9.139256803845313,75.17534479280872,2708.059276483841,-140.60139429302654,-916.7763916922274,0.7357924413102097,-233.1901930568546,82.76788902430093,12.554891350163636,-59.3260023324037,46.659149782780645,2.2251127547169802,0.049867334994657106,0.6678940576717661,-0.03656286934852159,-0.4073131990032046,-0.07573140619437338,-0.11127328729084976,0.04437650124599698,0.0667918647205432,12.107661450764695,-0.9618243263472128,-3.738958999608589,-0.17116292133573283,-0.3805207335412606,0.42432684523622244,0.1499681392790454,-0.49150933531721597,-0.06748404152561144,66.70092359918341,-5.7902723725516285,-19.300298235487116,-1.2596181189641231,-1.065372107087288,2.3617222567775613,0.928675021024236,-3.0507395108802076,-0.8311483001987727,43.92348008385734,0.9199398757960525,7.527224002215097,0.23221984889837635,-10.704115739092572,-3.6239369486966457,-0.47367588307424957,2.974021992800917,-0.9915252561212021,0.006720926181334692,-0.002993308839018094,-1.1358006294173732E-4,1.708337052251166E-4,-2.9334402476603066E-4,-1.683986700985556E-4,1.156214327132791E-4,3.141478803466552E-4,-3.869865733802658E-4,31.53977078248481,-0.3127584051263001,-4.939759411148016,0.19368019323428395,-2.340773343968274,0.23773226535879774,-0.2024312244800094,0.09933974786788384,0.844666795424817,51.09545804686493,-2.7038729671735875,-9.752940337151356,0.0060310855845099156,-2.0102602849728846,0.738999009145544,0.12430585495211521,-0.6448478514391706,0.5242601099188836,0.04198325952296189,9.589872114357136E-4,0.007105255932678363,-2.9969565039771794E-4,-0.0035113206810621087,-6.761732695926195E-4,-0.0011017157157509876,4.8235327441301063E-4,7.50470390118463E-4,0.2284464424672584,-0.018496621660523325,-0.039776159570304136,-0.0014029747650469904,-0.003280351151217764,0.0037886325467519862,0.0014848330621687663,-0.00534249277518713,-7.582476575911397E-4,1.258507992437423,-0.111351391779839,-0.20532232165411826,-0.010324738680033797,-0.00918424230247662,0.02108680586408537,0.009194802188358773,-0.03316021207478487,-0.009338744946053626,0.8287449072425913,0.017691151457616395,0.08007685108739465,0.0019034413844129208,-0.09227685981976355,-0.03235657989907719,-0.004689860228457916,0.03232632600870562,-0.011140733214844968,-0.4453714798015621,-0.016899465918428183,0.025418179074716624,-0.04364636909429292,-0.02505587259182093,0.017203199320114854,0.04674175431640722,-0.057579351854064716,-0.009916318266332687,-0.15662001620795687,0.0061408243759920305,-0.07421656169004853,0.0075375394132800476,-0.006418284580318728,0.0031496661327371106,0.02678100615410596,-0.05291806885640571,-0.1908768550074632,1.1803564964577055E-4,-0.03934322857286194,0.01446310567306651,0.002432816138728054,-0.012620453482337196,0.010260405326791091,0.022842133324860472,0.16924021653898233,-0.007138455989435634,-0.08363620931199169,-0.016105783049617677,-0.02624178608972528,0.011489181161581732,0.017875467475506716,-0.08096699366712315,-0.1741159071715681,-0.006141372786963267,-0.014359388204033484,0.016584335942526153,0.006499698774611371,-0.02338619379442878,-0.0033191484594898603,-0.08847889123387967,-0.16314741176689632,-0.008203951617372963,-0.007297722666575191,0.016755400832413763,0.007306113464206679,-0.026348829148523423,-0.00742048918415429,0.021346920268238603,0.09662424515382807,0.0022967759654126513,-0.11134531146235103,-0.03904287026840906,-0.005658991310199502,0.039006364595665644,-0.013442897950242049,1.49238222611013,1.0878490535523155,0.8938216857489092,0.9469055848692575,0.8358363906333115,0.8245492685543399,0.6908732271551667,0.8610876447355463,1.1730696037791408,1.2186022265636476,0.9541668839663666,1.0593204610900595,0.9362741632131208,0.96366849582775,0.9410170794321989,0.9092632601889014,1.349199280310668,1.297279888418405,0.9911047798155187,1.0229714045489975,0.9608517060640379,0.9798972627324224,1.011352067690217,0.9725849951696829,0.7263236420599112,0.7877097351618664,0.7916387627829538,1.08558531203295,0.761460095825157,0.833416472864652,0.6224300501366817,0.6340698245253812,1.423307434524906,1.300206005321505,0.9976666230533899,0.99907587909522,0.9565200703868649,0.975103596559859,1.0226582387304188,0.9842805560686653,1.4363981102370649,1.2929710836131296,0.9965190286544132,0.9926455042573292,0.9519859396059324,0.9712715003482888,1.0199578258692161,0.9825069348814884,0.6014247189938681,0.60943079787615,0.8551570899693025,1.3148519528270162,0.8007025579484609,0.8340211941629472,0.6142791996837431,0.6867151985846407,262.6453074772834,131.57265373864166,208.68523034199237,263.09768842966423,12.528461353793533,131.57265373864166,0.49999999999994316,0.04515845948023506,0.0021504028323921457,-6.504913070809111,413.81943276250934,19.705687274405207,12.653402424464502,262.6578424903043,131.57818682425076,208.69152955343523,263.108894490578,12.528994975741808,131.57818682425076,0.49853115819723826,0.045079434408549446,0.00214663973374045,-6.508591186195284,415.38075854643654,19.78003612125888,12.661310739140538,273.9997813318405,136.60089618786216,214.45830197765306,273.2777913239259,13.013228158282185,136.60089618786216,-0.7979889561161713,0.026010762876604532,0.0012386077560287872,-7.663414226631762,218.80841366237595,10.41944826963695,11.315212699298906,262.67099886651204,131.5839942334748,208.69814119553922,263.1206561240508,12.52955505352623,131.5839942334748,0.4969896004376153,0.04499649377992426,0.0021426901799963933,-6.512458487323131,417.0457737476604,19.8593225594124,12.669711568402661,286.4898205825333,142.16261602692742,220.96436761266244,284.53138334230044,13.549113492490498,142.16261602692742,-2.164588528678479,0.1043061434258688,0.004966959210755658,-4.746892536152776,189.51862399963633,9.024696380935064,11.013423328687097,263.961299848102,132.15378410992932,209.34745440754287,264.2745902796913,12.584504299032922,132.15378410992932,0.3462683717566506,0.036870365966761076,0.0017557317127029084,-6.930728995925974,1208.3120797449121,57.538670464043435,14.903657347507634,279.50712692817854,139.8518859871749,220.54875027254917,280.14455382876315,13.340216848988725,139.8518859871749,0.8923976608184887,0.019387335427126007,9.232064489107623E-4,-8.280584002157893,201.39462618251704,9.590220294405574,11.14105922499622,0,11.99615713390471,15.998264214428769,-0.3496074668219733,0.26125723913771637,4.042121483579632,7.989748140898621,20.0,52.0,48.0,48.0,16.0,4.0,4.0,0.0,0.0,4.0,37.85662399999999,3.619234956618554,3.5534839921050607,3.466058319313351,3.330575777123716,3.1619722473055325,2.9663941768435595,2.7525423177559514,2.6233277486713766,1.929656640885041,1.889400611590263,1.8011938388476565,1.681081936637544,1.5526731200452875,1.44616426551414,1.359411836749296,1.2129519782511975,3.6350790494233185,3.5466240808165286,3.441058486873718,3.320566832957426,3.1541665503503027,2.948695146905642,2.7759130820601383,2.6210109188418484,1.8818812824636355,1.8387599273484927,1.7540757147477268,1.6409775202385013,1.5194144648388517,1.400402684387963,1.280325611485699,1.1358811863476685,3.7268446480563173,3.665264172839935,3.5806311168426745,3.464737294173081,3.313319013742687,3.144766163803664,2.9800989762340153,2.848143402661947,1.742237457445,1.6723782678356083,1.5736218635393753,1.4508205124711764,1.2962707646527198,1.1266082512671414,0.9973857047495078,0.8597951352862178,3.649358309110598,3.5612376564700803,3.4513707842405705,3.3282952516325195,3.1620258858325494,2.9530078589563873,2.7984573898400917,2.646105737338827,1.8533044229314775,1.810124101316938,1.7300160477289446,1.62190584806616,1.4963885910875745,1.36232760393013,1.2293979652703961,1.0900437946238895,3.770432270920647,3.710939047260585,3.6232766483815846,3.5086633997220673,3.3654197143599602,3.2114824561774737,3.066780621225374,2.929640698792669,1.70135479046985,1.6252315121035723,1.525414694588399,1.405267786470925,1.247192728621969,1.0657991261417021,0.9163630693455775,0.775510539337174,4.8086401430730366,3.7217211290519843,3.5846574534905487,3.418721704624834,3.303801291221944,3.260353248345589,3.113249497079446,2.875294282820376,1.815982869571819,1.7932550393775544,1.6639998209124645,1.5091005793409717,1.3596359087879706,1.2081659063596544,1.0548577103249726,0.9563987739204719,0,0,1,6,0,1,10,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.49279927982674443,0.348461712529338,0.24639963991337221,0.10059223176554563,0.07112944921610614,0.050296115882772816,15.598165549360939,10.308060412490448,7.25184260888705,4.9974002407106255,3.0682437686183195,2.044575975123381,1.3573451890125228,0.8972879875616906,0.7427697880648066,0.5154030206245224,0.3625921304443525,0.26302106530055924,0.1804849275657835,0.12778599844521132,0.09048967926750152,0.06409199911154932,13.85166600793096,8.326646495490726,5.203314527886925,3.2480378095015956,1.9235143150226444,1.1379310818098443,0.6703176466431929,0.3949037536060048,0.6596031432348076,0.4163323247745363,0.26016572639434626,0.1709493583948208,0.11314790088368497,0.07112069261311527,0.044687843109546196,0.02820741097185749,29.09884306940765,51.866715222141366,49.30588235294112,49.960000000000036,32.73735089820364,404.9892071856288,0.5490347748944839,0.9786172683422899,0.9302996670366249,0.942641509433963,0.6176858660038422,7.64130579595526,5.527470000000007,90.47000000000006,149.0144888509153,237.19247410233254,298.0289777018307,14.191856081039557,149.0144888509153,0.0494560278584254,0.002355048945639305,-6.314009793620244,217.12557653649776,10.339313168404654,11.298999347744642,577,0.0,0.0,2.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,9.0,5.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,10.0,0.0,6.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.488554086256984,13.25520099177518,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9008959781046029,0.0,0.0,3.009006230146977,2.0968197786460774,0.0,1.9008959781046029,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.674680092489539,0.0,10.74823149614496,0.0,13.361995657351931,0.0,0.0,0.0,0.0,-0.10679466557675199,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.890826608865172,4.597727477391812,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.597727477391812,-0.10679466557675199,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.29085936930633904,0.0,0.0,0.22785259798467794,0.3254904021793903,0.0,0.29085936930633904,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4394500676742539,0.0,0.536541214171529,0.0,2.194052236444011,0.0,0.0,0.0,0.0,-0.10679466557675199,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.890826608865172,4.597727477391812,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.890826608865172,2.2888364144150026,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3281152114580145,0.0,0.0,0.5402393410111213,0.5402393410111213,0.0,0.3281152114580145,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2352300248152854,0.0,1.3378998227701973,0.0,2.2888364144150026,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.890826608865172,4.597727477391812,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,43.16666666666667,2.055555555555556,0.5690842956596474,10.890826608865172,0.22785259798467794,-0.10679466557675199,10.524526213002215,1.7734613322434187,3.8908266088651717,13.171559536848404,1.7734613322434187,3.8908266088651717,13.171559536848404,10.16666,0.48413,0.0,0.01587,0.48742,0.77302,0.42923,0.46836,0.77302,0.05819,0.01906,-0.03913,0.0,0.62628,0.08801,0.0,0.13115,0.04918,0.0,15.25,0.72619,10.75,0.5119,4.5,0.21429,-6.25,-0.29762,0.0,0.0,21.39729,1.01892,30.02179,8.6245,0.41069,7.55425,0.35973,10.30805,2.75381,0.13113,0.10595,0.00505,0.10595,0.00505,0.0,20.02,2,2,2,2,0,0,0.631578947368421,1.1484747421966308,2.490269310092962,3.831628125053427,4.425664794022559,4.626702945570741,4.793773756368352,60.869161336421435,131.984273434927,203.07629062783164,234.56023408319564,245.21525611524925,254.07000908752264,0.20050465981623192,0.4347597578994077,0.6689387807403865,0.7726477399833326,0.8077456700511327,0.8369134652610877,4.579445712366569,3.2376511444702376,1.8962923295097727,1.3022556605406406,1.101217508992459,0.9341466981948479,0.19776210643411382,0.428813004115587,0.6597888671312416,0.7620792690339824,0.7966971207489851,0.8254659514886115,9.663386512269573,21.29506181643697,25.782676436415123,27.782321938930703,28.399732275844197,28.56811042108257,77.40280585818532,47.7252896606236,34.35800770939156,27.459369253231714,25.68543822708541,24.727421826602946,21.0,18.05,17.950138504155124,21,3,18,3.3299999999999996,2.731099999999999,0.05263157894736841,4.021051602672681,0.34299717028501764,0.0,27.408212328519852,2.352779665665871,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.49000000000000005,0.47800000000000004,0.8580000000000001,0.48800000000000004,9.665000000000001,20.0,19.0,17.0,16.0,15.0,14.0,13.0,12.0,11.0,178.0,3.2188758248682006,3.367295829986474,3.4339872044851463,3.4965075614664802,3.6109179126442243,3.713572066704308,3.871201010907891,3.970291913552122,4.04305126783455,4.143134726391533,6.061456918928017,2.404494382022472,0.47368421052631576,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,0.7,16.0,0.8,2,10.0,19.0,0.9,1.5,0.666666666666667,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.075,0.03333333333333335,0.013157894736842105,0.009411764705882356,0.006944444444444446,0.005442176870748299,0.004464285714285714,0.0037986704653371313,0.003333333333333334,0.003005259203606311,0.17869496689517875,149.0144888509153,237.19247410233254,298.0289777018307,14.191856081039557,149.0144888509153,0.0494560278584254,0.002355048945639305,-6.314009793620244,217.12557653649776,10.339313168404654,11.298999347744642,26.3,344.2147851901904,5.392317422778761,4.394449154672439,5.0689042022202315,5.75890177387728,6.444131256700441,7.138073034044347,7.826842098158293,8.522578663692576,9.213036733523925,9.909817476230998,105.27673439312053,3.713572066704308,0.0,4.795790545596741,0.0,6.008813185442595,0.0,7.278628942320682,0.0,8.579416534596369,8.903271585724212,292.2402302640009,5.513966608754734,40.654900299695655,1.9359476333188408,5.135510785891027,5.135510785891027,0.0,1506.0,19.0,7.859000000000002,80.0,1.2356349113058884,2.152906871193953,2.931230087425785,3.7292450039983494,5.045053666958543,6.089261238251138,7.4328975703566265,8.518402093646749,9.83262712613694,11.01476348998722,92.92729415389216,97.56660846463582,103.82415681015318,134.4834314924473,163.46896500145456,204.60583001939148,244.9738585129044,270.97428377190664,313.18659299362383,355.2805442888144,305.94315616148174,370.54698316572916,414.32662397710493,554.7646527698502,683.7282877225109,850.5460926062158,1022.5410307095186,1139.4782664658806,1305.9202394794,1487.7726138730877,9.225263141715935,15.850351405490247,21.0981004476701,27.116834791015716,36.23073199969487,43.9058954437063,53.26504286669963,61.00629854581409,71.10005930910874,79.23579272899075,2.205254173865002,2.910528093155718,3.3655039990999214,4.495039963615941,5.651078122506147,6.986217462675735,8.455906395420772,9.478752667943366,10.789027306702133,12.337109893616233,176.4623222484807,330.34621448834736,471.9197869029264,590.7464103223409,814.5308817773979,976.2566990435406,1192.9395370677555,1373.225245665338,1591.9058457763401,1769.573530749905,3.141805838158665,4.974089975455306,5.8357096487713855,7.749225539253602,9.719073521178833,12.417340060938521,14.476019231258109,16.23567976773796,20.32075105452373,21.882708252815252,0.47139362360796044,0.6342540063375869,0.7356753463384941,0.9827092943029816,1.2345617059026799,1.5282240750472642,1.8427215152022016,2.0723874507870783,2.386696646682649,2.7112983847704246,668.8305460832438,1015.5700561423608,25.07609633654954,202.8633386922692,-308.03307873933846,-24.780145522659964,465.96720739097464,1323.6031348816994,49.856241859209504,0.7672768591871991,1.1650535513437728,0.028767089886155825,0.23272314081280096,-0.353372994946117,-0.028427577565307328,583.0154969718305,885.2662075004203,21.858679830611877,176.83473178319477,-268.5105510456554,-21.600701315949998,0.17201180862186632,0.21005385857423794,0.8438881489342847,4.115681640973482,814.5006996430586,57.19318513245431,0.9343884520341871,0.06561154796581285,1446.280791645423,38.02999857540654,11.308826454523285,1766.6836581018238,42.03193616884456,12.088885493372203,2501.12602858277,50.011259018172794,13.57412545166833,5.906575819914588,5.906575819914588,16052.86551205376,15952.77745242131,138.1720418141158,1.0062740209302714,116.18027280547709,115.45590007190266,8.402039893698225,13.13160753677934,25.25174031586734,0.9229740338447997,13.05211796803731,14.592857343484921,9.136641892905393,46.931805511246154,26.01061516170251,0.8762575379327503,17.913870970185627,15.738781749609043,47.090190674648284,0.15691130255874805,2.1294967268491387,29.503865182224075,4.842786983389107,49.029028585548566,0.011814009842413114,1.2886636280323862,26.41156652395775,2.076176969861081,47.20823763346584,0.027320619989088017,1.2198536206810147,18.74676169446587,3.025008393595314,41.35536848320117,0.22242545855295626,2.3402268666948345,10.972898791667157,2.576274383868096,32.981326078151795,0.12391635499719185,1.1029490272311089,14.846225390353256,0.803450164968367,17.51039935344147,0.250451533119494,0.12784037728225223,3.0356404515715334,0.18402599869367992,15.301196141280995,0.0015992876026464087,0.17315211756087007,3.2666873741424762,0.14532912514448795,12.770753058950588,4.4288534718299206E-4,0.4517943753298207,2.372874716936248,0.10281318448970513,10.465649768420864,0.0022889312367998767,0.7139746693173864,0.4925419008199672,0.1264310480619374,7.207730237734838,0.00506496253435434,1.4087481771093233,0.17730576240878135,0.10453870773298685,4.821479007321078,0.008434844589701115,3.5387051776276093,14.358300295063781,2.330590467794967,19.179461464041474,2.0051139405924006,0.2709345300518992,5.877434606266997,1.3145531346944177,19.018084296191972,0.012784837875840819,0.3722023102243931,7.586040138820212,0.6014801153102509,17.857343715555388,0.0017910464560398566,0.4492217190271103,4.7157010183625605,0.37855537658461236,15.417821113532716,0.0073915175649852975,0.6478324398378368,2.1092482356424824,0.49192348311805634,11.750599733834157,0.02531284113497008,1.3026547579340124,0.9891123741129604,0.40956039832031454,8.316860927453828,0.028523235113228036,12.322475812401239,14.85355043689598,9.117595216723073,44.343457707891986,23.347087846801063,0.8371368424822264,17.60203607529565,14.071149628226417,45.4196603609133,0.14014521206021985,1.9493429266656084,28.011087695195222,4.469511747177112,46.92131957081997,0.010773709754604498,1.2457231750355546,24.570741038192864,1.911218187121713,45.37636519557274,0.025785751772230813,1.3372692921717928,16.92662024239338,2.767569804717952,39.50730493614145,0.20058593623826376,2.368564339937337,9.93981188504424,2.354443133648862,31.10032553709684,0.11561418975861598,5.211919689245823,14.17345742887409,3.2905587959903024,21.578844143892642,4.211789945125801,0.371640710153103,7.716883853942979,2.697205076385416,22.186890677210126,0.026555280691797856,0.5688502655429349,10.857180945197602,1.0405147324573414,21.939199159995223,0.0030054002904388697,0.5025274128448941,7.10287513720253,0.6053687132494276,19.43004411004746,0.010896336327499524,0.6316062851657526,3.8444511963375865,0.8099720168533896,15.434696195707271,0.04637411198931965,1.319233321039276,1.9304201183278937,0.6781723636732582,11.324675251903951,0.043347711948412825,15.762327630104418,14.762951800306599,11.464967479938744,60.436359039046025,37.88198965107057,1.0539891047653975,21.791953330250276,22.758053642929458,58.78808553283868,0.22723027785123148,2.9021276017132163,36.73534596805209,6.791650939571342,60.74004927691834,0.01605662645882072,1.684655343101992,35.601449851238065,2.7411511306178387,59.26410020279501,0.03300632405262757,1.516351445346736,26.45418764370084,4.069115705056923,52.900773774440715,0.31297581114812506,2.853884484047586,15.82659711320548,3.4780122309321384,42.86538900466043,0.15605491306687333,7.529221118476639,14.309193965454751,6.551547099187549,30.694826430402077,9.759729157489325,0.500420428673684,12.744364495959765,5.50349919022883,33.0797211687692,0.0542010308735777,0.916687341812049,19.6949510631856,2.3875965039066678,33.97896280915788,0.004788503992979271,1.0038446118302893,14.845694842529396,1.0537914497380483,33.34597609402856,0.018467179986705915,1.387761961081827,7.491894545601529,1.3482888621201163,27.211396514396995,0.0906371242561616,2.2098742312859554,4.564448463448431,1.2484842243554861,20.2744462710347,0.058586633651431165,56.720853599144796,0.8778144465291411,0.35649327548659027,0.9787023675911145,0.015146441257659555,0.5733110226061737,0.6231426666787108,0.4527669096557969,57.95516132116053,70.32392254406084,146.02902119779668,0.9680535513866717,1.6492205989406814,55.47424743066313,0.40890733368276533,0.06512036384637865,0.9915273938929661,0.007308667385113316,0.548325832833205,0.13304128686107156,0.015107953220342696,55.948275128192265,26.322957976068146,83.74841214620164,0.9872910908394491,0.6964750729146192,53.97642195384243,0.5534153215120249,0.17590686229040542,0.9866682704842221,0.010116219607936952,0.5191679574422337,0.2474778016504182,0.11023958221486735,54.705744137644864,39.46355148596842,99.4238761598984,0.9800024057263331,0.8768853413075193,57.29129623863193,0.8684711401929631,0.34385309014182486,0.9792777913466421,0.014844741799418108,0.5848812818459098,0.6084001502218378,0.42122860703373943,58.50362046896672,69.75425310263614,145.36657200301096,0.968916687019963,1.614510039101487,53.82963383432739,0.6341140164429571,0.2304401980745694,0.9841929417848669,0.01159380985556744,0.5163755938041957,0.32589134984375373,0.18918577323606256,54.694188048844914,46.684762156953965,109.24482480433733,0.9762894126773004,1.031452716884012,57.31572518134008,0.9240517020987903,0.3798887881362385,0.9777559207256393,0.01576351027445157,0.5853940975019117,0.6900849125073724,0.5141442071828018,58.61966567157511,75.0873316724183,153.82693076027,0.9666338810884589,1.7896232171920858,57.07400310582284,0.8725946704285894,0.3454105602808303,0.9791051077932053,0.014969370507718885,0.5804421917446165,0.6130247247493787,0.42505312846690935,58.29200833653226,69.8178377344287,145.31214545831926,0.9686576616898078,1.6185200449609045 +UMLCN0406,L,methyl gondoate,CCCCCCCC\C=C/CCCCCCCCCC(=O)OC,Esters,Olefins,C21H40O2,BioCompoundML (2016),Unknown,UML,,73.2,0,-2.6677000000000035,7.116623290000018,79.5093,65.23571999999994,0,0,63,23,40,0,21,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3582.125102999997,3801.793786000004,4311.651910000016,4153.326561000026,3835.9849310000004,3596.94361,3400.1868809999996,3203.4301519999995,3006.6734229999993,10569.986267901877,13544.474294285483,17944.853946016945,18973.72128302584,18108.623816181407,17042.28704593553,16035.488700980437,15028.690356025305,14021.892011070177,453.7928279999996,458.0767360000004,858.2608720000011,1152.0869400000029,1115.0984600000027,1064.1108400000028,1001.2259400000029,938.3410400000029,875.4561400000025,77.63782419395984,101.5488923999999,146.75841787467806,164.09445826888341,157.12036908263846,149.16221369433623,140.14068483493995,131.11915597554375,122.09762711614766,10430.29013046496,8994.024659471,18396.672770580295,26591.12652717717,25635.70831721359,24710.706244232046,23231.751089193465,21752.795934154885,20273.840779116308,156.02777777777777,135.5,231.41666666666666,273.83333333333326,271.0833333333333,243.83333333333331,231.58333333333331,219.33333333333331,207.33333333333331,56.859128619047574,61.319254612903286,36.53942296610183,25.63781827777794,24.589646993589746,23.979624066666666,24.11480057446808,24.26841024242424,24.444499373983735,167.7775598079663,218.45926281105616,152.07503344082156,117.12173631497431,116.08092189859876,113.61524697290352,113.72687021971942,113.85371481837352,113.99912204122094,7.203060761904755,7.388334451612909,7.2733972203389925,7.1116477777777956,7.1480670512820685,7.094072266666685,7.100893191489382,7.108644242424264,7.117529593495956,1.2323464157771404,1.637885361290321,1.2437154057176107,1.0129287547461938,1.0071818530938363,0.9944147579622415,0.9939055662052478,0.9933269392086648,0.9926636350906314,165.56016080103112,145.0649138624355,155.9040065303415,164.14275634059982,164.33146357188198,164.73804162821364,164.76419212193946,164.79390859208246,164.82797381395372,2.4766313932980597,2.185483870967742,1.9611581920903953,1.6903292181069953,1.737713675213675,1.6255555555555554,1.642434988179669,1.6616161616161615,1.6856368563685635,0.3431231193719074,-0.15381741775821364,-0.0035049551846988523,0.01384393357360732,-0.036198293299391004,0.005000731481402334,2.618191638051495E-4,6.488538576746067E-4,0.004117487380842398,1910.187747428574,-19.696359183668434,-614.6545468979541,51.12287304081627,-234.1781904897951,1.6398318367337197,-0.3985362448995886,-2.4369043265321864,-4.475272408164784,3130.6294036841377,-151.34664109955753,-1212.1724716252422,7.061862412006128,-222.82809667723615,5.422550590626095,4.665659342151919,3.908768093677061,3.151876845202203,2.2980388571428483,0.05785433106574707,0.6730015056689236,0.029440462585042824,-0.3163765986394521,-0.033945469387744356,-0.04417534693876629,-0.05440522448978821,-0.0646351020408102,13.944487014302826,-1.0183734511056417,-5.088346522841614,-0.2504315275491044,-0.4734643943385986,0.007893577199672347,0.007727763749795141,0.0075619502999179355,0.0073961368500389535,76.5986473917155,-6.1083185194656835,-26.66444588043562,-1.8514341769659,-1.776509657910485,-0.0029258382875989586,-0.0029293252213771215,-0.0029328121551552844,-0.0029362990889298946,43.582892416225675,1.675918927241677,9.615905209820552,2.534202569916856,-7.584887041236252,-1.4566221550348561,-1.7146216511295898,-1.972621147224327,-1.9806206433190645,0.005446398720189006,-0.0024809260928744135,-2.970301003982078E-5,8.54563800839958E-5,-2.3204034166276284E-4,3.333820987601556E-5,1.8568735021641808E-6,4.915559527837929E-6,3.3475507161320305E-5,30.32044043537419,-0.3176832126398135,-5.208936838118255,0.3155732903754091,-1.5011422467294557,0.010932212244891465,-0.002826498190777224,-0.018461396413122624,-0.03638432852166491,49.692530217208535,-2.441074856444476,-10.272648064620697,0.043591743283988446,-1.4283852351104882,0.03615033727084063,0.033089782568453324,0.029611879497553492,0.025625015001643926,0.036476807256235685,9.331343720281785E-4,0.005703402590414607,1.817312505249557E-4,-0.0020280551194836673,-2.2630312925162903E-4,-3.133003328990517E-4,-4.1216079158930464E-4,-5.254886344781318E-4,0.22134106371909248,-0.016425378243639384,-0.04312158070204758,-0.0015458736268463235,-0.0030350281688371708,5.2623847997815645E-5,5.4806835104930076E-5,5.7287502272105576E-5,6.013119390275572E-5,1.2158515459002461,-0.0985212664429949,-0.22596988034267473,-0.011428606030653703,-0.011387882422503109,-1.9505588583993058E-5,-2.0775356179979584E-5,-2.221827390269155E-5,-2.3872350316503207E-5,0.6917919431146933,0.027030950439381887,0.08149072211712333,0.015643225740227504,-0.04862107077715546,-0.00971081436689904,-0.012160437242053828,-0.014944099600184295,-0.016102606856252557,-0.4555167956539763,-0.005453697308226086,0.015690437750585807,-0.04260436181483061,0.006121147493744017,3.409360198475777E-4,9.02533909171333E-4,0.006146356313802638,-0.010477526318159265,-0.17179621282945162,0.010407938863817977,-0.04950924937680345,3.6055585235289305E-4,-9.32208816953599E-5,-6.088762612954698E-4,-0.0011999934037638885,-0.049123577442613926,-0.20672419012914894,8.772292956999121E-4,-0.02874446579530052,7.27480309672816E-4,6.658904753655374E-4,5.959020272889806E-4,5.156713672987812E-4,0.02558158024832779,0.15635695718516082,0.004982104087355092,-0.05559848221466731,-0.006204027881660138,-0.008589028384481025,-0.011299256228595666,-0.01440610278160515,-0.07420845444424672,-0.19481961447864854,-0.006984124865362609,-0.013711997755143049,2.3775004562461767E-4,2.4761259471711185E-4,2.5882003686767346E-4,2.716675925036178E-4,-0.08103067087030542,-0.18585318339613668,-0.009399672245505667,-0.009366178347103423,-1.6042738646641803E-5,-1.708708291734498E-5,-1.827383777041678E-5,-1.9634264065377765E-5,0.0390738150515008,0.11779657587543318,0.02261261625828734,-0.07028279421446586,-0.01403718916294038,-0.017578171245104728,-0.021602014520291528,-0.023276661453663215,1.5387215547192483,1.0498288429226976,0.8265023765763917,0.874753348068877,0.7285448357152364,0.7640037271758022,0.7981811430166355,0.833405781901109,1.2800712386997615,1.279278990468432,0.9437985561830964,1.0233912531249598,0.9389916399236404,0.9431896150573368,0.9479600413456285,0.9534285787980604,1.454730245383912,1.3681167500533606,0.9899750186163521,1.013174777254456,0.9777289848996515,0.9768961356171681,0.9759497159779824,0.9748647959037942,0.7445548601938372,0.7678071406771326,0.7198610616248571,0.9647363260249486,0.6905075234336481,0.7255066355967512,0.765278353963914,0.810870323799442,1.5245180174197213,1.3756437436443782,0.9987910924371648,0.9985665085098152,0.9780328253095744,0.9769886052037781,0.9758019914471914,0.9744417268969581,1.5362768843808217,1.369383791859389,0.9976833663357761,0.9932719112455805,0.9739997505351804,0.9734040691918365,0.9727271585744001,0.9719511878666072,0.5831798959998391,0.5471963406867806,0.7519019484855242,1.1611628967515921,0.6907399388948476,0.729785124593125,0.7741546537957128,0.8221258691149537,341.6003584319425,171.05017921597124,272.702453825317,342.0568801710729,14.87203826830752,171.05017921597124,0.5,0.04938383700645299,0.002147123348106652,-6.918703817187856,329.1847504467421,14.312380454206178,13.332224032727613,341.6130038209543,171.05576748957583,272.7087250799776,342.06818444365626,14.872529758419837,171.05576748957583,0.49853115819738036,0.04932129221103365,0.002144404009175376,-6.921618621106518,328.94111039071885,14.301787408292125,13.330521099632902,353.0328689573155,176.11744000059957,278.4227534032402,352.30427034520926,15.31757697153084,176.11744000059957,-0.7979889561163134,0.006726666259211256,2.924637504004894E-4,-11.503853910585262,243.14243364612375,10.571410158527119,12.635389062125746,341.62627597187856,171.0616327861581,272.71530730111493,342.08004908532155,14.873045612405285,171.0616327861581,0.49698960043764373,0.049255648961505416,0.0021415499548480617,-6.92468180189577,328.6863683891914,14.290711669095277,13.328739219611993,365.5791456875131,181.70727857941722,284.815073896925,363.6027822482848,15.808816619490642,181.70727857941722,-2.164588528678678,0.06791458972133474,0.0029528082487536842,-6.185860112610193,220.65064570397297,9.593506334955347,12.412135522791441,342.9275798646375,171.636924118197,273.36134947040784,343.24373794319786,14.923640780139037,171.636924118197,0.34626837175648006,0.04282691392264737,0.001862039735767277,-7.246353651330429,307.70270214595666,13.378378354172028,13.177008347301781,362.84086240350666,181.4496901349341,290.2183970599203,363.612619608804,15.809244330817567,181.4496901349341,1.044142101284649,0.04701204141523846,0.0020440018006625416,-7.031908472451576,209.8141039126769,9.12235234402943,12.296310414196569,0,11.99614623869371,15.998265036922794,-0.3496099475846056,0.26126474257343535,4.036277824851177,7.80631976085578,22.0,62.0,60.0,60.0,20.0,2.0,2.0,0.0,0.0,2.0,46.602279999999986,3.5863743538959683,3.5511644954278303,3.4651095755942194,3.3738066501937842,3.2180913351523115,3.0778560875833954,2.8789409447264256,2.7237960522047984,1.950660694730979,1.9163412783576796,1.8408556100300577,1.7569552968111186,1.643082207853908,1.5285364455392867,1.4373953439322145,1.3544527889810645,3.6052505314051855,3.539676682032079,3.4688687151791844,3.3586337907657167,3.2182770447009528,3.0738167050116285,2.8878163791906535,2.742349826723557,1.896299559581685,1.8597927296796577,1.789855907370798,1.7039803311301296,1.5984599292012565,1.4859951791820478,1.3824255230541798,1.2717877621702147,3.7151715740677584,3.6710057871359685,3.6044605435642842,3.510644401969487,3.384863692147881,3.2531792720171744,3.095457795081329,2.9618722021958166,1.7345629401120992,1.6814326328191824,1.6093166966844685,1.5027212381033574,1.3784407626794017,1.2399287610370322,1.095591383428284,0.9813190141557802,3.6227941333534384,3.5560499734366435,3.484451551848968,3.3686392196618424,3.2316861949078155,3.082858787601734,2.9041732060139873,2.7659364340868877,1.8626533157740948,1.8265371852443375,1.7622332215173833,1.6768314592057376,1.5731389192281091,1.4558102142237452,1.3373798219490376,1.2188360665712228,3.767271469366425,3.721890606190244,3.6541878229265596,3.5589428866045614,3.442019444739201,3.3147442786289183,3.1756698262152945,3.052204522143858,1.6854972369087637,1.6285116393926935,1.5579163541816685,1.4506464214267532,1.3220805180650723,1.1827697429092732,1.0229582858790147,0.8945493003450478,5.055395449408145,3.700285067947636,3.539288534950683,3.4998301415517887,3.3941128759998924,3.3243017257877194,3.226140919218718,3.0135833982988776,1.8242566849586204,1.7945816101124394,1.6826922231128143,1.5917215674214438,1.4432696535788712,1.3002171611190003,1.1429918458575459,1.0062709399727363,0,0,1,2,0,1,16,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.49279927982674443,0.348461712529338,0.24639963991337221,0.10059223176554563,0.07112944921610614,0.050296115882772816,17.012379111734035,11.308060412490448,7.958949390073598,5.497400240710626,3.4217971592115934,2.294575975123381,1.5341218843091595,1.0222879875616908,0.7396686570319145,0.5140027460222931,0.36177042682152716,0.26178096384336313,0.18009458732692596,0.12747644306241007,0.09024246378289173,0.06389299922260568,15.784905618291743,10.026986666968606,6.617528090260022,4.370373422216445,2.795692857672312,1.8101867111082224,1.1621441684406402,0.7384266888874446,0.6863002442735541,0.4557721212258457,0.30079673137545554,0.208113020105545,0.1471417293511743,0.10056592839490125,0.06836142167297883,0.046151668055465285,33.26615428455115,61.418062636562375,58.20784313725481,59.000000000000064,37.931568862275505,483.61683832335336,0.5280341949928754,0.9748898831200377,0.9239340180516636,0.9365079365079375,0.6020883946392938,7.676457751164339,6.903290000000008,100.43200000000007,179.46513481942765,285.5734125977843,358.9302696388553,15.605663897341536,179.46513481942765,0.04431139646410187,0.001926582454960951,-7.167980770526613,261.26206027677296,11.359220012033607,12.80070512169041,701,0.0,0.0,2.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,17.0,3.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,16.0,0.0,2.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.577268620831529,4.687433112620846,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4954191603496466,0.0,0.0,4.7246031611868595,1.1316755943579122,0.0,0.4954191603496466,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7344401767549744,0.0,20.167524756459315,0.0,4.758964062632893,0.0,0.0,0.0,0.0,-0.07153095001204712,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.943527130120698,4.63374149071083,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.63374149071083,-0.07153095001204712,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24712953809596755,0.0,0.0,0.21131346056941297,0.30323665955534085,0.0,0.24712953809596755,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4626872899962455,0.0,0.5832327270437947,0.0,2.3773836632142906,0.0,0.0,0.0,0.0,-0.07153095001204712,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.943527130120698,4.63374149071083,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.943527130120698,2.381580399418603,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24828962225367907,0.0,0.0,0.5170661157024794,0.5170661157024794,0.0,0.24828962225367907,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.271752886758729,0.0,1.4195471385103207,0.0,2.381580399418603,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.943527130120698,4.63374149071083,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,44.16666666666667,1.920289855072464,0.5586575779226879,10.943527130120698,0.21131346056941297,-0.07153095001204712,12.676620890460446,1.7381976166787139,3.9435271301206973,12.215971140446298,1.7381976166787139,3.9435271301206973,12.215971140446298,11.16666,0.48551,0.0,0.01449,0.47037,0.76667,0.42958,0.46513,0.76667,0.04079,0.00524,-0.03555,0.0,0.63327,0.08102,0.0,0.1194,0.04478,0.0,14.25,0.61957,11.75,0.51087,2.5,0.1087,-9.25,-0.40217,0.0,0.0,28.0753,1.22067,33.74459,5.66929,0.24649,9.64003,0.41913,11.30805,1.66802,0.07252,0.10595,0.00461,0.10595,0.00461,0.0,22.02,2,2,2,2,0,0,0.8571428571428571,1.1024261191531155,1.9093140608196961,3.0167212696036216,3.7797763042742685,4.233653392833816,4.397505519764511,69.45284550664627,120.28678583164086,190.05343998502815,238.12590716927892,266.72016374853035,277.0428477451642,0.18443608685932256,0.31942858377991484,0.5046980078251414,0.6323572515675442,0.7082909696413977,0.7357034597753305,4.8748538043468015,4.067965862680221,2.960558653896295,2.1975036192256483,1.7436265306661012,1.5797744037354056,0.18373768652551925,0.318219010136616,0.5027868782672703,0.6299627173790447,0.7056088988056359,0.7329175866274186,9.286541017775908,17.097209186396213,21.279992506737678,24.3032316933619,25.39046672857753,25.057506651872558,85.74042317841688,62.56630705463871,50.78828865247078,38.86339107450221,33.859113350692745,34.586059713771085,23.0,20.045454545454547,19.954648526077097,23,3,20,3.55,3.098899999999998,0.047619047619047616,4.119777230204742,0.3244428422615251,0.0,31.58949783389692,2.383100997386957,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.446,0.43,0.658,0.21600000000000003,10.783,22.0,21.0,19.0,18.0,17.0,16.0,15.0,14.0,13.0,200.0,3.2188758248682006,3.295836866004329,3.295836866004329,3.2188758248682006,3.2188758248682006,3.2188758248682006,3.2188758248682006,3.2188758248682006,3.2188758248682006,3.1780538303479458,5.58724865840025,1.33,0.47619047619047616,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.0,0.8181818181818182,20.0,0.9090909090909091,2,11.0,21.0,0.9090909090909091,1.5,0.666666666666667,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.06818181818181818,0.030303030303030318,0.011904761904761904,0.008421052631578949,0.006172839506172841,0.004801920768307323,0.00390625,0.0032921810699588472,0.0028571428571428576,0.0025429116338207248,0.16308232504028072,179.46513481942765,285.5734125977843,358.9302696388553,15.605663897341536,179.46513481942765,0.04431139646410187,0.001926582454960951,-7.167980770526613,261.26206027677296,11.359220012033607,12.80070512169041,26.3,384.0796718435245,5.523561956057013,4.48863636973214,5.1647859739235145,5.855071922202427,6.541029999189903,7.234898420314831,7.924072324923417,8.619569258033104,9.310276200588783,10.00672080717778,110.14506127608593,3.8066624897703196,0.0,4.890349128221754,0.0,6.102558594613569,0.0,7.370860166536716,0.0,8.669914278433902,8.994420665751292,324.3028305200011,5.147663976507954,44.654899820162214,1.9415173834853137,5.135513483289332,5.135513483289332,0.0,1986.0,21.0,9.651000000000005,88.0,1.233991164991632,2.1388100317904146,2.888033802899134,3.645926461331193,4.903150689879477,5.926804804150528,7.129198457671407,8.213111171805084,9.338534469872993,10.421028616921754,87.67079222806244,87.34047943886658,87.958758451975,113.31743236110623,138.84504582196584,167.8103670341972,196.6831223087619,226.0190915845846,255.11153325247537,285.9860180193287,296.4248024580708,349.12199916138064,372.78549028363204,494.5776940632949,616.7550783607442,746.9279975736516,878.8503445728675,1007.8213386957827,1135.896648517398,1269.4304628487432,9.16759035257987,15.62455376859797,20.60564157499615,26.230354767199767,34.9510861330808,42.29744730633897,50.88914152479575,58.68442288182262,66.81784054920426,74.70825254919951,2.1627189877816297,2.8000657257809674,3.120512317985583,4.125027304033183,5.237532914964164,6.34377781747083,7.490911664598475,8.589662063956581,9.683651746090442,10.80616002904406,176.80324392451737,329.8029780141429,470.01652744495505,584.9548855041495,797.5654171535868,962.7025745570858,1162.854495677962,1340.6532016396477,1527.0704209529308,1703.1684971864233,2.7898017637465937,4.339559500682837,5.001747972320909,6.588840720745127,8.258582043642487,10.091285035261933,12.2165546526344,14.25642149082418,16.389779032385864,18.411180408877314,0.46070979272748697,0.6080132872287556,0.6810679792710498,0.8999719269284736,1.1420761142695872,1.385375178565898,1.6411336805237777,1.8862810843510707,2.1334067348576626,2.387359271996735,773.3255464284781,1217.0099621854258,25.551998176610468,173.15602131714985,-272.50179944088154,-21.830524295904034,600.1695251113283,1489.5117616263074,47.3825224725145,0.817052938780857,1.2858253173214504,0.026996825978842207,0.18294706121914303,-0.2879103077410567,-0.023064922804467237,731.9383755613703,1151.8774969713093,24.184495293231702,163.88898252085136,-257.9179303483102,-20.662188860296272,0.16596633860721877,0.20267149745075147,0.845545640969161,3.693986652882414,892.8304219740946,53.65114577153311,0.9433151710504812,0.05668482894951859,1531.647487769935,39.13626818910989,11.52708797286317,1931.1745502252045,43.94513113218806,12.452995844107903,2728.0966509162154,52.2311846593222,13.9729010680743,3.052583990585006,3.052583990585006,18682.401216975773,17905.69857484946,833.5535266665102,1.0433773995959743,22.41295923932941,21.481162279351988,11.251336278561174,13.838111751969631,25.0637143713776,0.8112091317524001,15.897358778566572,18.276095360267576,9.111125314658748,79.3371209412348,45.52319319477992,2.6036170178932627,21.06593441657939,11.028009361124003,69.77866283650962,0.5721693830629478,4.839808749849685,46.956038419074,13.454876321350984,55.87361814742835,0.04554094962852735,11.658357033459344,31.449062985110285,12.912029541037468,31.25462114818076,0.9327462905005459,15.854028642327329,27.51099539822422,14.931742881521414,8.325440827951681,8.926468384272631,28.284765385950436,18.580228540301846,6.93545732692915,2.78528932236501,14.978223249907918,1.3416493809433898,18.52161322775698,0.8005611276220729,19.564899617153113,0.8639229072232709,0.27592950726808363,2.822092491394018,1.1095968828555827,16.7999575701464,0.011747160106770262,0.5855353292806195,4.409573720726869,0.6079887911519682,13.645208196111122,0.026355476990187667,0.7953624691823509,3.196080228803115,0.7204264890467577,8.382984556718206,0.8777831179980871,1.3586741488968563,2.7572086140129817,1.7250345659333917,3.505289857858191,2.062628474763613,4.688907374318763,1.9811356530668098,0.9087322923398374,2.6251974622541225,1.8228110010473797,4.309484847979748,18.037993825744184,2.318547935347878,23.145731503340524,3.935351498960715,0.7390811501607742,6.342188105522485,2.003708518065639,23.22058283899669,0.050524462771493237,0.9923826823089219,11.359959905383064,2.2498935037876957,19.125720120447763,0.029134167536925954,2.1456039981169175,5.696031753251041,2.530922877831771,11.088773729543501,0.8889067634254425,3.2649020943425784,5.178325539987105,3.4978908912955022,3.5479703138068515,3.3358606945277436,7.245662083958025,4.354771630836306,1.7565855718644359,2.3317722356858646,3.8381383266320688,15.008129794925589,18.534057152425913,9.09931355899805,73.38669872018552,40.8024446213928,2.469079567234602,20.53418177386324,10.027798227787896,66.39762888921543,0.5111100554894099,4.437477313130565,44.19645464511463,12.400317044690468,54.20902393488041,0.043964028465196286,10.723641987243424,28.937673197753092,11.925795483571054,30.995221542451095,0.9293476962438086,14.664073311356404,25.799480594209562,13.796772784235689,8.572264148557196,8.461049183891403,26.199805675824383,17.32793016829475,6.759138067380578,2.958241233880859,13.944918627325976,6.347945201791227,17.855138777747015,3.271688615601877,28.125425552423483,7.8006109371863195,1.0602081449816756,8.6526069741909,2.9524709530993025,28.696376458085048,0.09959606574626109,1.4098117290935177,16.653116902493256,3.6481480045817842,23.504476371115388,0.03137939089512031,3.3317872773260033,8.382422351312172,3.9751034053783565,13.258778452116795,0.8965711561399934,4.888504028148343,7.451172724063752,4.988925727315112,3.7943725414005915,4.247848241229613,9.661936795104593,6.25825011241,2.369013586979477,2.242526615879823,5.420351733894622,19.198371382586117,18.447509246868464,11.444004262478378,107.06072993125468,66.02757300229868,3.140969802534299,25.718897277585306,15.207238211867972,89.044365264175,0.8286181475779106,6.5662665912249105,59.05715981931497,18.065128066085382,70.32346842170759,0.05183647477103659,15.557057311247325,43.056190243604554,16.83599704218223,39.27538207560839,0.9453681193034904,20.856049585519497,37.73481192745966,19.504863042796636,10.440484032697894,10.701049927522147,37.385893413730635,24.090726075720585,9.040232961922129,2.992403406436098,19.09828144191944,9.962555202866799,18.39076425193373,6.896209567994297,46.06610551496785,19.086594536445222,1.5866681516372905,15.57864506043472,5.133295689150382,48.14302244743347,0.22805737543328322,2.405908397280646,29.94398219595374,6.977538135039173,45.075715702719755,0.03233767921085444,5.852981848273934,17.57698350772564,6.574304120800876,30.214945512899078,0.7989259731897734,8.357890095279243,18.208128209591095,7.975137794359105,11.154076708834861,5.696705994884717,15.926009376690926,10.623565089627968,5.737166170537521,3.326275983332896,8.803114224743315,53.88781165177639,2.9549847341080007,0.4476942708906284,0.9406065654877361,0.051578974106037824,0.5417660834124493,0.4377755496723148,0.5713714115342242,57.29049065677502,184.6858550688494,313.26613416931195,0.9109098482316041,1.5509130446189883,55.99611179141823,2.4839172479269545,0.08759964507575102,0.9560932045437802,0.04241109472454499,0.5856842931423998,0.2949340215530745,0.021875607668331607,58.56762868442093,144.2125376834159,214.96437541317684,0.9341398068156703,0.9024939223638059,53.05912213877453,2.6876094566196715,0.2296945977682249,0.9478833456726782,0.048013237703766906,0.5253407245168438,0.3579399196256387,0.15040317179675114,55.976426193162425,155.4069215108059,244.13830231093974,0.9218250185090171,1.0336838159392336,54.61018318212016,2.9358055239842553,0.43347138913384625,0.9418884393268985,0.05063526840646394,0.5564127000263217,0.43067900182876173,0.5356440786376494,57.97946009523827,185.26941711537614,312.745124552386,0.9128326589903478,1.5227357804927328,52.29741403185283,2.774082623063617,0.29689018606793083,0.9445356279215564,0.050102283655665505,0.510279349664259,0.38466138239574743,0.2512737474448108,55.368386840984385,161.4275343858439,259.8679619194326,0.9168034418823348,1.1462144795048173,54.233226645378906,2.987427667810054,0.47489039606960187,0.9399898539596585,0.051779174334247224,0.548732211766523,0.4475662890000321,0.6428981953231336,57.69554470925856,189.19138098517047,323.8276427548074,0.9099847809394879,1.6391966960896887,54.559046218924586,2.937872680129277,0.4357167751425071,0.9417670296541608,0.050711876750289604,0.5553575546842249,0.4320043981099134,0.5412077343801668,57.93263567419637,185.3399034238151,313.1125053492429,0.9126505444812412,1.528569687174305 +UMLCN0407,L,methyl petroselinate,CCCCCCCCCCCC=CCCCCC(=O)OC,Esters,Olefins,C19H36O2,BioCompoundML (2016),Unknown,PubChem,,58.6,0,-2.0916999999999986,4.375208889999994,73.68610000000001,59.048547999999954,0,0,57,21,36,0,19,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3289.532604999997,3464.8371920000027,3924.2348360000033,3759.8131029999995,3442.471472999999,3203.4301519999985,3006.6734229999984,2791.8019259999983,2597.077324999999,9598.617486679494,12238.494025304744,16117.759722692308,16960.12459311566,16095.027126271249,15028.690356025307,14021.892011070178,13027.970510096495,12083.339654003228,411.8379399999997,414.5251760000003,772.8018560000013,1026.3171400000028,989.3286600000027,938.3410400000029,875.4561400000024,814.1834640000021,764.7354920000017,70.28157257456395,91.51691515999993,131.3830375849799,146.05140055009116,139.077311363846,131.11915597554375,122.09762711614766,114.00933240444967,105.8770293547517,9437.030810187965,8127.945756439403,16548.26837264862,23633.216217100013,22677.798007136433,21752.79593415489,20273.840779116308,18947.474922446825,17838.355071456743,147.52777777777777,125.0,212.91666666666666,249.3333333333333,246.58333333333331,219.41666666666663,210.49999999999997,190.41666666666669,176.08333333333334,57.71109833333328,61.87209271428576,37.0210833584906,26.109813215277775,24.945445456521732,24.26841024242423,24.444499373983728,24.276538486956508,24.047012268518507,168.39679801192094,218.54453616615615,152.0543370065312,117.77864300774763,116.63063134979166,113.85371481837353,113.99912204122096,113.28670008779561,111.88277457410396,7.225227017543855,7.402235285714291,7.290583547169824,7.127202361111131,7.169048260869585,7.108644242424264,7.117529593495955,7.079856208695671,7.080884185185202,1.2330100451677886,1.6342306278571415,1.2394626187262254,1.0142458371534109,1.0078066040858407,0.9933269392086648,0.9926636350906314,0.9913854991691275,0.9803428643958491,165.56194403838535,145.1418885078465,156.11573936460962,164.11955706319452,164.33186961693067,164.7939085920825,164.82797381395372,164.7606514995376,165.1699543653402,2.5882066276803117,2.232142857142857,2.008647798742138,1.7314814814814812,1.7868357487922704,1.6622474747474745,1.711382113821138,1.6557971014492756,1.6304012345679013,0.3346484620352117,-0.15374773442107328,0.0012940036931673067,0.016238009060981565,-0.03449655028927612,-0.017235126016272126,0.008810535538427831,0.028523226049449856,-0.014545430136473818,1747.2644466666695,-19.21139911110611,-531.270086222218,48.465549666665936,-238.08741533333324,0.7847919999983048,-1.705292000001947,92.9830637777759,125.66665999999822,2829.901809757531,-150.57541532855413,-1058.645645285992,5.821789624307897,-224.27967850833204,5.611754787917974,4.6871314068166186,49.465134929156974,105.18660157880699,2.258879719298247,0.05510876700522453,0.6807734342874655,0.018324007386894308,-0.33599567128347146,-0.04267612188364921,-0.05517300831024326,0.11471453124038987,0.11791632132964745,12.60246578950604,-1.0173809965097598,-4.41323133382066,-0.25105612133756694,-0.47378239483295104,0.008640884362312556,0.008438325549579767,-0.12526806262890688,0.1045699921837264,69.30942790446389,-6.108677347838107,-23.02132285914246,-1.8512845835856,-1.7765163452248673,-0.0032355792208191847,-0.0032398388823067226,-1.2481125934667254,-0.03539116733991521,43.05945419103319,1.550750658322217,9.624816182757076,2.1933671899045835,-8.168795526828792,-1.6566892377141813,2.2640043090181603,5.424882869942885,1.0510926438904278,0.005871025649740556,-0.002745495257519166,1.2207582011012327E-5,1.1276395181237198E-4,-2.4997500209620374E-4,-1.3056913648691005E-4,7.163037023112059E-5,2.480280526039118E-4,-1.3467990867105386E-4,30.653762222222273,-0.3430606984126091,-5.011981945492622,0.33656631712962454,-1.725271125603864,0.005945393939381097,-0.013864162601641845,0.8085483806763122,1.1635801851851686,49.64740017118475,-2.6888467022956095,-9.987223068735775,0.04042909461324928,-1.62521506165458,0.04251329384786344,0.03810675940501316,0.43013160807962586,0.9739500146185832,0.03962946875961837,9.840851250932953E-4,0.006422390889504391,1.2725005129787714E-4,-0.002434751241184576,-3.2330395366400914E-4,-4.4856104317270943E-4,9.975176629599119E-4,0.0010918177900893283,0.2210958910439656,-0.01816751779481714,-0.041634257866232635,-0.0017434452870664372,-0.0034332057596590656,6.546124516903452E-5,6.860427276081111E-5,-0.0010892875011209295,9.68240668367837E-4,1.2159548755169103,-0.10908352406853762,-0.2171822911239855,-0.012856142941566666,-0.01287330684945556,-2.4511963794084732E-5,-2.63401535146888E-5,-0.010853152986667178,-3.276959938881038E-4,0.7554290208953192,0.027691976041468162,0.09080015266751959,0.015231716596559607,-0.0591941704842666,-0.012550676043289253,0.018406539097708622,0.04717289452124248,0.009732339295281738,-0.46763468962880295,0.0020792929105243794,0.019206857292022747,-0.04257773973568831,-0.02223957861479961,0.01220065700688703,0.04224611974142411,-0.02293975817956194,-0.011191471243419158,-0.16350299546132754,0.01097960878960667,-0.05628252457550344,1.9395315642759887E-4,-4.52282577947026E-4,0.026376807349610076,0.03795880508075572,-0.05415886215641581,-0.20116306260347422,8.143245058925411E-4,-0.032735149394546775,8.563045335964655E-4,7.675479334994513E-4,0.008663728747054783,0.01961734171901033,0.024832155360509357,0.1620609887167773,0.003210995637356168,-0.06143789753915496,-0.008158170265291302,-0.01131887600849659,0.02517110862652699,0.02755065420412268,-0.08217030949346985,-0.18830860071458105,-0.00788547122623707,-0.01552813009526424,2.960762629280042E-4,3.10291939107855E-4,-0.004926765015747494,0.0043792793425333236,-0.08971017450147195,-0.1786104858797987,-0.01057287832009509,-0.010586993899739112,-2.0158613027201802E-5,-2.1662114314473578E-5,-0.008925621505529498,-2.6949683782368823E-4,0.036657283842032165,0.12019680228846,0.02016300165236872,-0.07835834849726964,-0.01661397126154148,0.024365676441571657,0.062445171176153814,0.012883194881429319,1.539510071707918,1.0412969224678463,0.8288165607649169,0.8836925296864889,0.7657220231268066,0.7191011948657099,0.5879331414034324,0.7330622724515451,1.2608534341798363,1.2598043261882919,0.9406621194964284,1.0298857618433503,0.936060208113292,0.9414600984910895,0.8937104700788951,0.8797810065048369,1.4502151415991016,1.35368205307522,0.9890924536186672,1.0152931859007208,0.9751783985994028,0.9740943359645824,0.9693898596223333,0.9497211904175071,0.7364641799151728,0.7632097803220822,0.7278204655357382,0.9850666219554294,0.7032018886521136,0.7450956115434648,0.5461252734302604,0.5706344200208066,1.5271434534111399,1.3617129865889015,0.9987505560696344,0.9985207210722176,0.9752255090267331,0.97386604809097,0.9825748588220536,0.9634431989647844,1.5400921521523203,1.3550076643578848,0.9976955807413982,0.9927954652002607,0.9709931491102782,0.9702185616686346,0.9800948958731565,0.9618213002601697,0.5786572806084331,0.5446128891597513,0.7642856334457538,1.1905794313056455,0.7069154616858269,0.706067721172016,0.5016768738245688,0.5805209111417936,281.61202185200335,141.05601092600153,224.99936427526143,282.06440280438403,13.431638228780194,141.05601092600153,0.4999999999997158,0.11335560408347495,0.005397885908736902,-4.572173471724684,179.7984181735659,8.56182943683647,10.902856281027825,281.6244153096517,141.06147323392446,225.00544396159648,282.07546730992544,13.432165109996447,141.06147323392446,0.4985311581972667,0.11328501092984672,0.005394524329992701,-4.573481671734683,179.79969945596883,8.56189045028423,10.902871246028553,292.8311339690162,146.01657250644996,230.5619760105725,292.1091439611015,13.909959236242926,146.01657250644996,-0.797988956116285,0.04987993042317773,0.0023752347820560826,-6.2960867614164275,184.6491867975244,8.792818418929734,10.95876124826256,281.6374230896105,141.06720634502403,225.01182516479656,282.0870803471492,13.43271811176901,141.06720634502403,0.4969896004375869,0.11321092028414148,0.005390996204006737,-4.57485556274188,179.80105321521083,8.56195491501004,10.902887057421534,305.16302468085973,151.49921807609064,236.81111909191617,303.2045874406268,14.438313687648897,151.49921807609064,-2.164588528678479,0.01976545791926987,9.412122818699938E-4,-8.240020770055503,203.31707530635572,9.681765490778844,11.161010086364774,282.9130348716624,141.62965162170937,225.63838060570066,283.22632530325154,13.486967871583406,141.62965162170937,0.3462683717563664,0.10595324661641847,0.0050453926960199276,-4.713990438835297,179.978564865016,8.570407850715048,10.904959295403378,299.90896244676094,149.99883166323616,240.30079342608627,300.65714242050444,14.317006781928786,149.99883166323616,1.0474519632410022,0.201787847386098,0.009608945113623715,-3.361130627307143,1293.561895218518,61.598185486596094,15.046825188029509,0,11.99615713390471,15.998264214428769,-0.3496071118244146,0.26125758931704857,4.041379789753784,7.799840450971673,20.0,56.0,54.0,54.0,18.0,2.0,2.0,0.0,0.0,2.0,42.22945199999999,3.5926732696714674,3.5272906087040674,3.4584955492531564,3.3224907348091675,3.145482209157812,2.9790455347959814,2.770411482975954,2.622085547839418,1.9496058919522397,1.896981894828998,1.823345378503291,1.7094506438179584,1.5828879628333659,1.468009917466237,1.3900014287537183,1.2664809669684998,3.6026678673972814,3.5312940193963005,3.432974586877452,3.318892314087466,3.1416431689455475,2.971184990881713,2.7887858606841975,2.6266073895249415,1.8941025182916047,1.84540363295643,1.7697981100664302,1.6613032359247366,1.5448780842182168,1.425362344272519,1.31282270137822,1.1809544627137758,3.7138843467879075,3.660395991952696,3.581147471078844,3.4706881508432397,3.319828936459998,3.1685872664340216,3.0048984430156174,2.864038424473172,1.7307877163572356,1.6720261654188933,1.5758182378393728,1.4598775106658566,1.309086265504888,1.1529504898633143,1.018295389623765,0.8824888514725409,3.6191719383894125,3.5491408817137042,3.4440331649993827,3.328449921965108,3.1543869870288868,2.9787010796311804,2.810037390105506,2.654638272890188,1.8601386982994104,1.8157869205502797,1.741365493077137,1.6382970826553602,1.5195709075480242,1.3889632848429012,1.260971058750579,1.1283423256176128,3.764450212910728,3.7118724652941055,3.627566211481922,3.5192578982563942,3.3798011485954578,3.2368159568646315,3.093496528555987,2.9548566585811074,1.6820860404312779,1.6200843766799835,1.5234052077406157,1.4101997460335327,1.2510225813167195,1.0910362341315867,0.9357520564890919,0.7903662983705085,5.030546941509254,3.689009794246639,3.5496705306675493,3.4252671188053845,3.3810207540106476,3.2729253178657127,3.1372584008535545,2.904156829869883,1.8342631385359975,1.752533139079307,1.6854225141278685,1.5270610812339647,1.3601103133809518,1.215570315186319,1.0367391833406712,0.973209774906865,0,0,1,2,0,1,14,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.49279927982674443,0.348461712529338,0.24639963991337221,0.10059223176554563,0.07112944921610614,0.050296115882772816,15.598165549360939,10.308060412490448,7.25184260888705,4.9974002407106255,3.0682437686183195,2.044575975123381,1.3573451890125228,0.8972879875616906,0.7427697880648066,0.5154030206245224,0.3625921304443525,0.26302106530055924,0.1804849275657835,0.12778599844521132,0.09048967926750152,0.06409199911154932,14.370692055918648,9.026986666968607,5.910421309073474,3.870373422216445,2.442139467079038,1.5669050744926414,0.9969732678099003,0.6281989732605021,0.6843186693294594,0.45134933334843036,0.2955210654536737,0.20370386432718132,0.1436552627693552,0.09793156715579009,0.06646488452066002,0.044871355232893005,30.182498676979392,55.64238892935187,52.75686274509797,53.48000000000005,34.33445988023957,437.56032814371264,0.5295175206487612,0.9761822619184538,0.9255589955280346,0.9382456140350885,0.6023589452673609,7.6764969849774145,6.1230900000000075,91.19800000000006,149.0144888509153,237.19247410233254,298.0289777018307,14.191856081039557,149.0144888509153,0.0494560278584254,0.002355048945639305,-6.314009793620244,217.12557653649776,10.339313168404654,11.298999347744642,577,0.0,0.0,2.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,15.0,3.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,14.0,0.0,2.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.517837749646542,4.481659811355184,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5583477568099195,0.0,0.0,4.225562095550504,1.2141840277777778,0.0,0.5583477568099195,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.72232359877482,0.0,17.44484550689012,0.0,4.570850835321885,0.0,0.0,0.0,0.0,-0.0891910239667002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.90546844055995,4.612369309086591,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.612369309086591,-0.0891910239667002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.27266594841946573,0.0,0.0,0.21021969297082055,0.32196180555555554,0.0,0.27266594841946573,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4518277639318202,0.0,0.5581310073048827,0.0,2.2659000728007763,0.0,0.0,0.0,0.0,-0.0891910239667002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.90546844055995,4.612369309086591,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.90546844055995,2.3049507625211088,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2856818083904539,0.0,0.0,0.5294444444444444,0.5294444444444444,0.0,0.2856818083904539,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.270495834843,0.0,1.4298778620244394,0.0,2.3049507625211088,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.90546844055995,4.612369309086591,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,41.16666666666667,1.9603174603174605,0.5628954475308643,10.90546844055995,0.21021969297082055,-0.0891910239667002,11.308873497261192,1.755857690633367,3.9054684405599507,11.718368839622855,1.755857690633367,3.9054684405599507,11.718368839622855,10.16666,0.48413,0.0,0.01587,0.47427,0.77302,0.42923,0.46836,0.77302,0.04504,0.00591,-0.03913,0.0,0.62628,0.08801,0.0,0.13115,0.04918,0.0,13.25,0.63095,10.75,0.5119,2.5,0.11905,-8.25,-0.39286,0.0,0.0,24.5073,1.16701,30.02179,5.51448,0.26259,8.64003,0.41143,10.30805,1.66802,0.07943,0.10595,0.00505,0.10595,0.00505,0.0,20.02,2,2,2,2,0,0,0.8421052631578947,1.1166106666673494,1.9770589280299125,3.1393212847745464,3.904255638868301,4.318176041750049,4.6062909446753775,63.64680800003892,112.692358897705,178.94131323214916,222.54257141549314,246.1360343797528,262.5585838464965,0.1914335199113549,0.3389501470503937,0.5382102657775025,0.6693518357773085,0.7403150121575545,0.7897098922642705,4.716279347497393,3.8558310861348297,2.6935687293901958,1.9286343752964412,1.5147139724146932,1.2265990694893647,0.1906135693502762,0.33749835133885703,0.5359049965142777,0.6664848592229474,0.7371440851962017,0.7863273965051613,9.47418026173828,17.79074939873916,22.125203839847302,24.978221400513178,25.94590607996217,27.153232603098658,78.01550725444851,55.22582234466914,43.80106269043568,34.34440726304521,30.35760134484485,26.823895109053602,21.0,18.05,17.950138504155124,21,3,18,3.3299999999999996,2.817100000000001,0.05263157894736841,4.021051602672681,0.34299717028501764,0.0,27.408212328519852,2.352779665665871,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.446,0.43,0.658,0.21600000000000003,9.785,20.0,19.0,17.0,16.0,15.0,14.0,13.0,12.0,11.0,178.0,3.1354942159291497,3.2188758248682006,3.2188758248682006,3.1354942159291497,3.1354942159291497,3.1354942159291497,3.2188758248682006,3.2188758248682006,3.1780538303479458,3.1354942159291497,5.5254529391317835,1.404494382022472,0.47368421052631576,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.0,0.8,18.0,0.9,2,10.0,19.0,0.9,1.5,0.666666666666667,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.075,0.03333333333333335,0.013157894736842105,0.009411764705882356,0.006944444444444446,0.005442176870748299,0.004464285714285714,0.0037986704653371313,0.003333333333333334,0.003005259203606311,0.17869496689517875,149.0144888509153,237.19247410233254,298.0289777018307,14.191856081039557,149.0144888509153,0.0494560278584254,0.002355048945639305,-6.314009793620244,217.12557653649776,10.339313168404654,11.298999347744642,26.3,349.4877025917906,5.392317422778761,4.394449154672439,5.0689042022202315,5.75890177387728,6.444131256700441,7.138073034044347,7.826842098158293,8.522578663692576,9.213036733523925,9.909817476230998,105.27673439312053,3.713572066704308,0.0,4.795790545596741,0.0,6.008813185442595,0.0,7.278628942320682,0.0,8.579416534596369,8.903271585724212,296.271530392001,5.197746147228088,40.654900299695655,1.9359476333188408,5.135510785891027,5.135510785891027,0.0,1506.0,19.0,8.513000000000003,80.0,1.233921534628331,2.13886994649394,2.8922226901449655,3.6618075545325643,4.9884259621286855,6.018154559101882,7.339374651883034,8.443107484157835,9.764370577486645,10.929237972490046,88.33171669596695,88.51702107133208,90.19867401800795,116.25003581270427,143.0597405274918,173.88002809451504,202.74663771456602,230.45976411040994,267.67739415784354,299.9053181250824,296.3432259089613,349.28667386941635,376.7081296233449,502.66390289232106,628.5672087512282,765.8764803379207,900.6355898730591,1025.4876746164402,1182.95227259012,1324.448711407949,9.185501041761766,15.664139985205237,20.682099174050624,26.429777423956374,35.620613370714594,43.061568060255034,52.156257545549586,60.035467974760365,70.01391943387836,78.53511748013655,2.1567139800091946,2.7917980118449086,3.135960156482245,4.1721589251409466,5.319748189294746,6.4749404870712945,7.697159038666306,8.780690115536196,10.065303106303165,11.260788530857953,176.91196809240418,330.2384994311045,470.5900443131478,586.4773978570024,812.0898220543344,976.3766178080367,1197.1665407594498,1378.9254417278296,1598.7113391215087,1788.0014237538546,2.84981868638051,4.449579463988864,5.1325316132524215,6.808216014063071,8.568674857721655,10.695672698847634,12.513585137935724,14.196063255085221,17.30709519035452,19.613670306648203,0.460920088889015,0.6083262982604654,0.6862744497567825,0.9127861377978223,1.1631717675657403,1.4178314871950215,1.6811446291760168,1.9227068081404355,2.2265493346873866,2.4990296239305327,709.6795627104739,1041.3678773030683,23.532668428088655,146.37737188103088,-214.79087330451787,-21.17704165615102,563.302190829443,1256.1587506075862,44.709710084239674,0.8290097703012247,1.216470348201771,0.0274896066805627,0.17099022969877534,-0.2509072289765543,-0.02473788926931166,607.5261109961677,891.4701928261269,20.14530399730786,125.30736426603602,-183.87321657929786,-18.12875336388124,0.1779959708727625,0.21736147530826277,0.9068327863623297,4.296004377194614,798.333311174446,57.72362341705886,0.9325703454004453,0.06742965459955483,1405.5005034363512,37.490005380585785,11.20152111418352,1765.1034398626157,42.01313413520367,12.085280098653472,2459.499927979083,49.593345601795036,13.498399312691522,5.907869531754821,5.907869531754821,16165.02248469477,16066.502285746554,149.0680322451899,1.0061320253279782,108.44057066578995,107.77966304217439,8.470751993212934,13.16285670361871,25.267445234134772,0.9196019377152598,14.319779151049634,16.267496194084547,8.16977297775037,70.10017961318876,36.308563869098656,0.8348956181797007,19.07815258913701,12.783103902743497,59.6808010800507,0.19576681674347535,2.1693652948952296,48.671685757286525,4.239817628472022,66.23172211714758,0.009036900068320725,2.811421982970176,34.917272386059615,1.9948037993938972,65.41502830246134,0.03835348547536406,2.8793508022259404,24.020841336945267,2.963799176366441,51.47539654043651,0.08518901503537576,2.687790580193161,14.665768553516052,3.9439010476627896,38.353945462017144,0.13860693012732409,1.2092800056633233,16.516292403640815,0.7218560356691139,17.601458770010336,0.31463993299279697,0.12021999317421372,2.8456061489072026,0.16344298971323615,16.459479779804976,0.0018968271855394562,0.15263421443061595,4.581296763310323,0.13796074161127786,14.96308577117435,5.059557897343815E-4,0.4804929910506188,2.6098723271167303,0.09880380977136943,12.933928443450178,0.003210843705017194,0.7525441743553429,1.0504311347559563,0.09460382400450669,9.696141766504432,0.00601964096474644,1.0291652151814208,0.49627341346697174,0.1073672745832562,6.641725198036341,0.008507001476147144,3.8821058789435456,16.029260142091267,2.0666761987263045,20.715648293635873,2.7402881909834838,0.25585831067405895,5.964271187377115,1.100463042262296,21.766042029163188,0.01569829913878162,0.33549957035892447,11.874876852739378,0.5551088066810098,22.16576681314163,0.0017995720794962676,0.5739201035036738,5.875890672347987,0.3638812006658844,20.09151154103498,0.010370199285479676,0.760726940350919,2.8055759022254008,0.4065828738727256,15.082342647151346,0.02017651498470213,0.964742539115504,1.5495051260705,0.4932107754938573,10.597527107170055,0.02952099867518528,13.519031325593998,16.527396999617405,8.20624894182169,64.94531486852854,32.51638475495792,0.7980177857675542,18.68181279421895,11.438387214745552,57.07987927639667,0.17478127339096855,1.9772521244283925,45.87098499150261,3.918497958302694,62.83474207425966,0.00835626049035823,2.6222032916523554,32.294244101288236,1.8359981520097899,62.830570358059084,0.03619712301170292,2.755264046238207,22.04274512578469,2.6913292750487727,49.384340242093046,0.07963362749952356,2.6709159964050553,13.881163990835574,3.568490551540176,36.66898971991224,0.12868166890119995,5.7180553094029545,15.845016501889322,2.9014857826771334,25.076063092830193,5.8286909651055625,0.3516226415904733,7.994103425793747,2.2297819715218727,26.24052601607081,0.032824681861611256,0.5295964691207657,17.389820620981606,0.946329881658875,27.991384405669766,0.0028205403200771955,0.7561591374525625,9.120693235701994,0.5819519271665228,25.76349408113946,0.015289031363081625,0.8956762302208766,4.823990222961854,0.7020094427288631,19.485433132104117,0.030489581393300953,1.036773906530544,2.645679134629318,0.8760394581212859,13.905294607393905,0.045592034521191996,17.29321552084156,16.43934322723138,10.30069233291107,94.4259380809739,52.92646822104177,1.0055213690412106,23.26201612905671,18.443470916616075,75.24239027474208,0.2838190089406106,3.002112114024571,61.05765663545152,5.908822966019353,82.95416933890824,0.011736872144789082,3.8788882400295415,47.31183552689282,2.633364796725711,82.95617474351921,0.04634315136828579,3.9133436797472547,34.05886727372648,4.0825672565440065,65.8468574397405,0.10656278473566698,3.5353186549654834,21.147297449339153,5.493457726924209,49.45393344767561,0.17758186090124364,8.916976470987136,16.417937131898974,6.26119269526998,40.93427072347384,14.983453399063631,0.5392206243561662,14.313650269886912,5.111438960761321,41.83159815303552,0.07645505921869625,1.0177701302795619,31.782440314741926,2.360637904838334,45.13478570944749,0.004573190614983655,1.7651596057559609,19.982903584575215,1.1436489327901207,47.84645580927115,0.02940524993216431,1.9052494432908624,13.196581169121782,1.3213817982461744,37.837061264303586,0.046230870589016745,2.179199330359532,10.741690730432474,1.7987771983404326,27.341123483008932,0.07201379071881193,53.58744342823261,0.8400834782882984,0.439959347138684,0.9766702848475839,0.015311134802212046,0.5447401061937396,0.6579779822358914,0.5613423494947924,54.86748625365959,68.96382507193317,143.63736859991323,0.965005427271376,1.7640604379244236,55.38497518580946,0.41900718166170725,0.0852571019498613,0.9909774352201112,0.007497099363661244,0.5818448864335716,0.1603741607467037,0.021079671676073886,55.88923946942103,27.964388172921364,85.83216383128456,0.9864661528301667,0.7632987188563491,52.64951853817405,0.5522708331044457,0.22509378627469617,0.9854499350619662,0.010336946504549532,0.5258275290163577,0.2838763652624334,0.146936510921041,53.42688315755319,41.05218567179531,101.02407436325346,0.9781749025929493,0.9566404051998321,54.28169902522,0.8332427142477798,0.4254182349287243,0.9773379043679814,0.015002472339608448,0.5589297585537449,0.645557410022084,0.5248496512210655,55.54035997439651,68.67673146275924,143.45868597962414,0.9660068565519723,1.7293368197968944,51.9483331097142,0.6247260510370014,0.2916296965621111,0.9826660145475851,0.011817454420722968,0.511940299465603,0.3645215187004463,0.24664152791826593,52.86468885731331,47.785342291978246,110.11442879964966,0.9739990218213775,1.1231033460843152,53.940231272138725,0.8798342829267274,0.4666832130196426,0.9756448421014103,0.015914017418847057,0.5519323257319175,0.721328694172064,0.6316071950222716,55.2867487680851,73.04206903340939,150.4768865937077,0.9634672631521156,1.9048682149262532,54.20315749946277,0.8388916738005322,0.4276563471627595,0.9771668515439135,0.01512342035945405,0.5573039701161725,0.652895117417154,0.5303866136108719,55.46970552042606,69.00965920978896,143.92514581579854,0.9657502773158702,1.7405857011441985 +UMLCN0408,L,methyl ricinoleate,CCCCCCC(CC=CCCCCCCCC(=O)OC)O,Esters,Olefins,C19H36O3,NREL (2014),IQT,PubChem,,37.4,0,-2.314400000000001,5.356447360000004,76.737,59.850547999999954,0,0,58,22,36,0,19,0,3,0,0,0.0,0.0,0.0,0.0,0.0,3545.5006059999973,3661.0210850000035,4311.566654000016,4205.600857000029,3876.196491000001,3636.1391059999996,3454.4933049999995,3258.7526399999992,2897.049937999999,9815.008263643851,12508.500541635514,16659.411996667954,17800.386886476328,16977.610766730188,15880.190252053346,14924.321793292753,13948.607192768553,12804.745848302658,425.1896559999997,426.91259600000024,788.5046960000012,1064.1141880000027,1044.5283960000027,986.8223120000029,926.6901160000027,870.5236800000024,807.4752320000019,70.92477657456394,92.27747883599994,133.03832835613096,149.53531377954428,143.80490822669515,135.40213993354388,126.4707661552987,117.89385020075173,108.73668073250677,9622.482095990465,8313.350813837653,16702.099106437618,24125.887024641863,23724.955146079123,22615.03542107333,21136.346890706653,19842.309387692323,18363.400076623548,183.05555555555554,136.83333333333334,232.99999999999997,289.75,285.5833333333333,254.66666666666666,246.83333333333331,238.25,222.33333333333334,61.1293207931034,64.22844008771936,40.295015457944075,28.609529639455978,26.918031187500006,26.54116135766423,26.988228945312496,27.156271999999994,26.099548990990982,169.2242804076526,219.44737792343008,155.69543922119584,121.09106725494101,117.90007476895964,115.9137974602434,116.59626401009963,116.23839327307128,115.35807070542936,7.330856137931029,7.48969466666667,7.369202766355151,7.238872027210903,7.2536694166666855,7.203082569343087,7.239766531250021,7.25436400000002,7.2745516396396575,1.222840975423516,1.6189031374736833,1.243348863141411,1.0172470325139067,0.9986451960187163,0.9883367878360867,0.9880528605882711,0.9824487516729311,0.9796097363288898,165.90486372397353,145.84825989188866,156.0943841723142,164.12168043974057,164.7566329588828,165.07325124871045,165.12771008364572,165.35257823076935,165.43603672633827,3.1561302681992336,2.4005847953216377,2.177570093457944,1.9710884353741496,1.9832175925925926,1.8588807785888077,1.9283854166666665,1.9854166666666666,2.0030030030030033,0.5323248903857704,-0.26030597562766145,6.729510581278556E-4,0.0203836388246576,-0.024903685633352657,-0.008142824679425932,0.00456996504329612,0.015861509913135192,-0.04739189031203725,1861.836812275861,-34.91995365041177,-480.49892426753433,-42.81619697502971,-211.078628719383,19.69657810701426,-50.5259758156965,-35.907644708680905,-205.4181762865644,2844.1901610009463,-117.29890670462969,-1011.2057184829346,-88.44338339093662,-182.74081230785555,21.619155515623483,-28.93984276616034,-1.2555437045820312,-139.66135578786265,3.1900576551724185,-0.053900799048760314,0.6314518430439877,-0.23187826397146044,-0.48322741973840755,-0.15156804756241993,-0.289769583828774,-0.3049534934601664,-0.4947902021403116,12.643339992834607,-0.7337883056159942,-4.4011006207933265,-0.5836909390840881,-0.42554532979619625,-0.06412490762453758,-0.10951803549423265,0.0031160536105774017,-0.13253812506194484,69.93572321348454,-4.380734350840481,-23.3393995454676,-3.6143630113471663,-1.8332142391789992,-0.7098543333969384,-0.6967360457062614,-0.11349898133416869,-0.06953469147824021,64.27969348658993,-1.63981371383274,8.500297265160526,-1.1858898137138176,-10.065101070154551,-4.992072929052689,-7.64407451446688,-5.420630202140288,-11.14734443123264,0.009178015351478799,-0.004566771502239674,6.2892622254939775E-6,1.3866420969154832E-4,-1.729422613427268E-4,-5.9436676492160085E-5,3.5702851900750936E-5,1.321792492761266E-4,-4.2695396677511037E-4,32.1006346944114,-0.6126307657966977,-4.490644152033031,-0.2912666460886375,-1.4658238105512709,0.14377064311689242,-0.3947341860601289,-0.29923037257234086,-1.8506142007798594,49.03776139656804,-2.0578755562215734,-9.45052073348537,-0.6016556693260995,-1.2690334188045524,0.15780405485856558,-0.22609252161062765,-0.01046286420485026,-1.2582104125032672,0.05500099405469687,-9.456280534870231E-4,0.005901419093869044,-0.0015774031562684383,-0.003355745970405608,-0.0011063361135943061,-0.002263824873662297,-0.0025412791121680535,-0.004457569388651456,0.2179886205661139,-0.012873479045894635,-0.04113178150274137,-0.0039706866604359735,-0.002955175901362474,-4.6806501915720863E-4,-8.556096522986926E-4,2.5967113421478346E-5,-0.0011940371627202238,1.2057883312669748,-0.0768549886112365,-0.21812522939689347,-0.024587503478552153,-0.01273065443874305,-0.005181418491948455,-0.005443250357080167,-9.458248444514058E-4,-6.26438661966128E-4,1.1082705773549988,-0.02876866164618842,0.07944203051551893,-0.008067277644311685,-0.0698965352094066,-0.03643848853323131,-0.0597193321442725,-0.045171918351169064,-0.10042652640750126,-0.49757723509406176,6.852529642457643E-4,0.015108300038875635,-0.018843100029775135,-0.006475983555920225,0.003890040551631715,0.01440172457925006,-0.04651920381744816,-0.019084693235157574,-0.13989269043377625,-0.009073547886557705,-0.04566339028824453,0.004478747678528685,-0.012296772005223021,-0.009321634149010636,-0.05765039284728051,-0.041965120299426964,-0.19271925276235743,-0.012269231959030801,-0.02587869802093713,0.0032180109850938193,-0.0046105799932876015,-2.133634143744277E-4,-0.025657990427583516,-0.017192926595956136,0.10729658973072845,-0.028679539040690014,-0.06101246037605098,-0.02011483851535642,-0.0411597083392891,-0.04620423968411964,-0.08104525136797591,-0.059055738838396064,-0.18868774615813713,-0.01821510980767779,-0.013556560400666403,-0.002147199326009079,-0.003925019801844171,1.1912141722830327E-4,-0.005477520613779395,-0.06373837481946901,-0.18089844107854294,-0.020391226918506485,-0.010557951266095262,-0.00429712110956001,-0.0045142669040101795,-7.844037132600098E-4,-5.195262267199927E-4,-0.02595815700065572,0.07168107873540726,-0.007279158906812332,-0.06306811408475883,-0.03287869341455901,-0.053885155272098625,-0.04075892591047258,-0.09061553059288052,1.489924867446826,0.9111282157247403,0.9017647746020344,0.9227370491227646,0.8551931661822838,0.9554815490783914,1.0209220329056414,1.1532402387075396,1.2153742320917904,1.2115256136327937,0.9771216549649818,1.0178270782699448,0.9403949057343995,0.9754788703873145,0.9787370092186173,1.0368053684154288,1.424078730712307,1.3513045362046165,1.0087039764103247,1.0076034918305867,0.9749115327874849,0.9794966085036751,0.969600621691495,0.9916706566740308,0.8237719452308666,0.7748059184429621,0.8882630578016261,0.9926213752069382,0.8165070146401363,0.9460165030581209,1.0020216389559997,1.1019581907751326,1.5129240740281207,1.3795642420308303,1.0168471935835401,0.9953010888982314,0.979016078897981,0.9772803184646779,0.9668112560936648,0.9689579241536085,1.5269611792545459,1.3756026315121315,1.0167040098677322,0.9912132029871091,0.9768086904592297,0.9758711453911251,0.9666672163634904,0.9644257740360345,0.7488972998748298,0.636286660810111,0.9185869138142247,1.1193846734616855,0.8395534880260571,0.9796967900622893,1.0216095696489258,1.142389274892108,293.5870258641063,147.168512932053,233.28371036707497,294.2688440459242,13.37585654754201,147.168512932053,0.7499999999996874,0.009083469354621648,4.128849706646204E-4,-10.342857958031244,554.1000021185278,25.186363732660354,13.898159395332678,293.602968566595,147.1753826519453,233.29147855574075,294.28278378231835,13.37649017192356,147.1753826519453,0.74779673729563,0.009145499553585595,4.157045251629816E-4,-10.327885420073674,550.8604313619181,25.039110516450823,13.885259248197299,308.00564738781986,153.40433197682276,240.36599595580626,306.91748062947966,13.950794574067254,153.40433197682276,-1.1969834341743422,0.06452547130587999,0.0029329759684490904,-6.029529504168122,233.60379205678515,10.618354184399324,11.997978264672655,293.6197014867566,147.1825929437067,233.2996319357863,294.2974145782629,13.377155208102856,147.1825929437067,0.7454844006568351,0.00921060205888713,4.18663729949415E-4,-10.312280133589631,547.536827707316,24.888037623059816,13.87194539422405,323.82275127792843,160.28793424245544,248.2625335841782,320.8710396479124,14.585047256723294,160.28793424245544,-3.2468827930175905,0.12466849988733772,0.005666749994878987,-4.580613543803412,202.91210884277612,9.223277674671643,11.6881004326269,295.2604477020143,147.88992512982446,234.0998678343231,295.7326318453185,13.442392356605387,147.88992512982446,0.5194025576346348,0.015583193193043243,7.083269633201474E-4,-9.155437070814717,389.7656888422644,17.716622220102927,13.124200673610405,312.45529776228165,156.61474929573572,249.16342750074426,313.731351533072,14.260515978775995,156.61474929573572,1.7545739348366851,0.030722935224138076,0.0013964970556426398,-7.662040820733878,220.38496369530097,10.017498349786408,11.869826874737456,0,11.996157129671325,15.99871015545586,-0.3922277339549671,0.2612618930355562,4.036879709303955,8.157080609489695,21.0,57.0,55.0,55.0,19.0,2.0,2.0,0.0,0.0,2.0,42.22945199999999,3.603042489056626,3.551519357397593,3.4512675143445657,3.3336205501385106,3.1813613570107138,2.9692940448496827,2.8140705546713694,2.642033018061169,1.939818946542544,1.9016778900045863,1.8099901180285356,1.706383921230464,1.5816584859169174,1.4640121637845669,1.3837075071606575,1.2626738804211117,3.6104826709344255,3.5285210185024183,3.447044670232518,3.309054521897452,3.16254753161368,2.9651368843509327,2.8036668665888835,2.6376470201829734,1.8930454315158178,1.849328582062015,1.7648280780240526,1.6671340438953388,1.5423942520220157,1.427400804506588,1.3162856481795386,1.1828124057151463,3.7230958551738915,3.6661219645231777,3.584319312275288,3.4756676003056794,3.3351729871615765,3.166034845437057,3.0270861684230512,2.8769672906873742,1.731820435929736,1.6677942795732912,1.5828618263340948,1.4528730369996155,1.3143684114151664,1.1512627095037877,1.0200239200713537,0.8868349832971225,3.6242181433320164,3.5425221619288325,3.4599661604100835,3.315174772954672,3.1696595421225355,2.974718791630033,2.81700213299325,2.6631043535943406,1.864926418392021,1.8204707320873823,1.7399637538971837,1.6483405561584559,1.520803526268083,1.3918148852548222,1.2737532263104185,1.1357011933232268,3.7696688475314755,3.713162528444301,3.6313097616412713,3.521561358085168,3.386708935095526,3.2363936313905954,3.1051109195961195,2.962763266440139,1.686762326421264,1.6165621617687687,1.5337564271641264,1.4032692449831958,1.2622135713002143,1.0883167084692082,0.9437545647062353,0.7979970543818778,5.05058635404026,4.401340576925163,3.655317075885288,3.5053286795542604,3.4585733537465897,3.3736307312696816,3.2026510513903723,3.1192862668982158,1.8096745179924183,1.778787947059226,1.6349389186929066,1.53466193822851,1.3529409223392266,1.2003779646594317,1.022405310971326,0.9627190517611373,0,0,1,2,0,1,14,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5773502691896258,0.0,0.0,0.0,0.18802500997245952,0.0,0.0,0.0,0.9010475702906076,0.7814744144215574,0.6546479303772352,0.2664149239330663,0.2314169476135629,0.1940655239115516,16.46840903736402,10.701907262607799,7.873704421819394,5.391247090827978,3.3142964190860305,2.195623545413989,1.4412140228627288,0.9864854976746419,0.7485640471529099,0.5096146315527523,0.35789565553724517,0.2567260519441894,0.17443665363610686,0.12197908585633271,0.08477729546251346,0.06165534360466512,14.688149139421684,9.101682137643493,6.092840294547366,3.9450890311488576,2.4596677581778343,1.5572891330174368,0.9657871699761618,0.6167729968774833,0.6676431427009857,0.43341343512588065,0.27694728611578934,0.1878613824356599,0.12945619779883338,0.08651606294541316,0.05681100999859775,0.03854831230484271,30.897297781396247,56.97305171158057,54.1058823529411,54.88000000000005,34.81469940119765,445.71484910179646,0.5327120307137284,0.9822939950272511,0.93286004056795,0.9462068965517251,0.6002534379516836,7.684738777617181,5.093890000000007,92.58780000000007,155.9200459233556,246.7494405139396,311.8400918467112,14.17454962939596,155.9200459233556,0.026402412255637803,0.0012001096479835364,-7.995459779305989,214.35213636221198,9.74327892555509,11.80876435132819,604,1.0,0.0,3.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,15.0,3.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,13.0,0.0,2.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3756195053620545,0.0,25.35439591436311,4.224100008727291,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3756195053620545,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5908542716903107,0.0,0.0,5.028364129920087,1.2952567021222323,0.0,0.5908542716903107,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.647936370154013,0.0,13.934282811803895,0.0,4.32485451991224,0.0,-0.16071510504830688,0.0,0.0,-0.10075451118494927,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.8244701388979,10.920441024897858,4.609484750567355,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3756195053620545,0.0,4.609484750567355,-0.10075451118494927,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3756195053620545,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886364384673368,0.0,0.0,0.22821571167196747,0.3497395833333333,0.0,0.2886364384673368,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.441281212169089,0.0,0.5481619671559183,0.0,2.1267277352477567,0.0,-0.16071510504830688,0.0,0.0,-0.10075451118494927,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.8244701388979,10.920441024897858,4.609484750567355,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3756195053620545,0.0,10.920441024897858,2.198126784664483,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3756195053620545,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.30221783322297396,0.0,0.0,0.5264371141975308,0.5264371141975308,0.0,0.30221783322297396,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.206655157984924,0.0,1.2799487208418225,0.0,2.198126784664483,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.8244701388979,10.920441024897858,4.609484750567355,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,47.0,2.1363636363636362,0.5641494490358127,10.920441024897858,0.22821571167196747,-0.16071510504830688,9.449094559202987,1.767421177851616,3.9204410248978574,18.771811184520548,1.767421177851616,3.9204410248978574,18.771811184520548,10.49999,0.47727,0.0,0.02273,0.49138,0.80455,0.42941,0.485,0.78261,0.06197,0.00638,-0.05559,0.02194,0.59322,0.12107,0.0,0.15873,0.09524,0.0,14.0,0.63636,11.5,0.52273,2.5,0.11364,-9.0,-0.40909,0.0,0.0,25.93675,1.17894,32.9113,6.97454,0.31702,8.7523,0.39783,10.70189,1.94959,0.08862,0.21211,0.00964,0.21211,0.00964,0.0,21.03,3,3,3,3,1,1,0.8421052631578947,1.175518748411799,2.264202126336778,3.5654312208046752,4.469544356972732,4.735232452390265,4.652530185456991,68.18008740788434,131.32372332753312,206.79501080667117,259.23357270441846,274.64348223863533,269.84675075650546,0.20066960773507925,0.38651578559576216,0.6086450645316628,0.7629837585151464,0.8083386505229082,0.7942207715127062,4.682462246715772,3.593778868790794,2.2925497743228966,1.3884366381548396,1.1227485427373072,1.2054508096705812,0.19982833201809197,0.38489537905625637,0.6060934159844118,0.7597850693078506,0.8049498180760688,0.7908911260494897,10.294754029755424,20.3409936014262,25.53082198244299,28.62334536196896,27.753990926821356,27.906615553917735,80.80609897829092,52.78336867550802,38.57568353349406,27.37670108591252,27.921237636202424,28.405021361288124,22.0,17.355371900826448,17.233560090702948,22,3,18,3.2199999999999998,2.8757999999999995,0.05263157894736841,3.796004519845486,0.5573995469609273,0.0,23.471998060139263,6.023499544017391,0.0,0.09090909090909091,0.0,0.0,0.07692307692307693,0.3922322702763681,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.764,0.7609999999999999,0.9410000000000001,0.366,10.407,22.0,21.0,19.0,18.0,17.0,16.0,14.0,13.0,12.0,195.0,3.1780538303479458,3.295836866004329,3.295836866004329,3.258096538021482,3.258096538021482,3.258096538021482,3.258096538021482,3.2188758248682006,3.2188758248682006,3.258096538021482,5.602118820879701,1.3846153846153846,0.47368421052631576,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.0,0.7619047619047619,19.0,0.9047619047619048,2,10.0,19.0,0.9,2.5,1.1111111111111116,0.5,0.3200000000000002,0.2222222222222223,0.163265306122449,0.09375,0.07407407407407406,0.060000000000000026,0.049586776859504134,0.11904761904761904,0.050505050505050525,0.023809523809523808,0.016842105263157905,0.012345679012345684,0.009603841536614647,0.005859375,0.00529100529100529,0.0046153846153846175,0.004132231404958678,0.27489971711162897,155.9200459233556,246.7494405139396,311.8400918467112,14.17454962939596,155.9200459233556,0.026402412255637803,0.0012001096479835364,-7.995459779305989,214.35213636221198,9.74327892555509,11.80876435132819,46.53,358.27792929235187,5.459431618637297,4.465908118654584,5.153291594497779,5.8664680569332965,6.566672429803241,7.284134806195205,7.989221408815276,8.708639655987193,9.416297071867572,10.136779434902152,108.58741257765631,3.7612001156935624,0.0,4.875197323201151,0.0,6.124683390894205,0.0,7.43307534889858,0.0,8.773848885262895,9.082847851460906,312.266445012001,5.383904224344844,42.47513823680526,1.9306881016729662,7.65130578880602,7.65130578880602,0.0,1651.0,21.0,6.428,86.0,1.2353577654227883,2.1453066440080404,2.9013475527782044,3.6525269053173903,4.862758583299647,5.78506938293295,6.833703561931034,7.599224699930601,8.359025981584779,8.931817386524218,91.69680273814853,96.65076534182344,98.13284588212096,122.37709636622107,149.4457724964443,179.1348081904075,205.583944999541,218.40110762087394,238.76368268096374,269.2924723715264,298.06414460112865,358.90438666776794,386.17271425431454,497.74484229266847,613.9510139627715,733.0938160261237,837.2046992148832,921.231560899413,987.7613018956803,1095.528328628212,9.302157161886273,15.889447503581538,21.082802041346888,26.720857282441287,35.243352876592375,42.19421498446162,49.89835038290678,55.743226529755226,60.7803078869871,64.90755906096591,2.1409784710399298,2.8087076148381924,3.141543442459128,4.057972007607732,5.089493478025202,6.051127340471443,6.927444432519407,7.6618976807804335,8.257086521504055,9.102683796065369,177.8860343143678,331.2393640370217,472.1208473470812,588.6740859895118,794.7885675951588,944.7435401714275,1124.0463872361147,1250.8510134331434,1382.7058988514416,1464.8404335581256,3.0580613028434627,4.851244859674974,5.899602812077524,7.650346409443927,9.426516665120309,11.703844447691344,14.22006510831112,16.06870203608223,17.076178110416844,18.238815816295876,0.46391319532490477,0.6220502825718776,0.7034648422491221,0.9094463013600864,1.141820918286039,1.3681332022369155,1.5783162432647182,1.7497546732506013,1.8795024989085034,2.0655295470833126,635.2852742266815,1113.1921479121756,25.581856652245534,134.60652779388462,-235.86715429580016,-30.464155146712788,500.67874643279686,1349.0593022079759,56.04601179895832,0.8251617598205195,1.4459072625408196,0.033227859531828295,0.17483824017948024,-0.30636402891519476,-0.039569398020293495,489.10092457150944,857.0375087512497,19.695261717029126,103.63246224696526,-181.59218845825654,-23.454103302936815,0.14905633671047527,0.22380069603011155,0.7781450496490966,6.934465628109631,662.5958918375776,107.29591018298862,0.8606350789794194,0.1393649210205805,1497.666132201048,38.69969162927591,11.441202428853098,1864.4141025529696,43.17886175610665,12.30781027862571,2814.732939135318,53.054056764165715,14.119275047135972,1.7010274711305193,1.517115450791858,10767.054908169124,9556.954170137622,1335.9567474407831,1.1266199163968658,8.059433756964784,7.153640406731236,10.19120123079436,9.45727779913438,18.106460962043357,0.9145531459063869,14.944418604202763,16.70108565960146,11.030188983455552,65.0155929200664,38.93410547367527,3.9026574020600773,28.519566405183134,19.0995156719531,56.09203348492474,13.099541862158095,12.342897929223229,49.10819112616291,14.868324488318494,55.791420189613305,12.711111694300202,14.626642303577823,25.22651926915755,14.153295883732573,31.612253596906797,11.889452694888348,9.692214005601572,20.71022840854489,7.880508006662628,13.20917305058113,5.526363087656364,8.435899231072492,5.680181102422017,5.937148494765011,11.645677040495773,6.939405213097259,1.2868145952096017,17.150200978605614,0.96833677315122,17.516426809328575,1.662975151201453,0.39646865221319544,3.70453341593152,1.6780680612292398,16.6552710483154,0.7262008918718452,0.8533821711484753,8.097447128196913,1.7475971096088607,13.251213987734388,1.827056629536488,2.7557362538709453,3.508237263013945,1.5162336346445144,7.551677737807036,0.9162394353505151,1.6687130210840244,2.9519597005949496,0.6289430859994035,3.431519324075787,1.500699307496754,3.293976180059425,2.134948477723153,1.1838890611665949,2.9683392131342385,1.2722472106979417,3.9793837828584553,16.29054002664427,2.720297735162976,20.099347816519266,4.590436731369368,1.095046208981293,7.895563759218333,3.4859707703440788,21.160576405288477,2.5359562993051954,1.8756978093041985,14.250740230902142,3.3799433547077578,18.22032766023917,3.289311960211735,4.011761173060784,5.8621237802375425,3.0619522940653505,10.02312225560287,2.24924606125719,2.646627257957614,5.084283492718893,1.547298297140862,4.415301394942136,1.4559730927394612,3.126377585435397,1.833107315693774,1.753892734336342,3.404605940307898,2.1313195884263365,14.397982986097528,17.16060131209456,11.181992412822485,61.119004159172825,35.14742380950323,3.6955561612623007,27.964379538363797,17.42143493176228,54.82657394923882,12.088791039093344,11.210023693243961,46.598555669349075,13.786173857631878,55.51406819073527,11.776142710087802,13.567748388989607,23.599445656117258,13.257404686341081,30.866908080604397,10.896863364761131,9.256933639204497,19.526077573729474,7.542281943017704,13.218607698750363,5.880019676513443,8.959455266843118,6.293635807695184,5.849607677190835,11.92296429640836,6.48714780890716,5.774875313725217,15.96469839207955,3.7909733176496485,23.89741292589978,7.95207386611334,1.5793812746032043,10.711023227527537,5.2455063234436246,25.02547532820313,3.990864220231428,2.972274382851502,19.05524082228394,4.787945443013663,22.150889995111395,4.51858964943896,5.22436278313102,8.078589057240599,4.368263096338857,12.230830663864449,3.433578868620673,3.4939021587406955,6.882005284891755,2.267356518287464,5.240975448763484,1.5729051925085082,3.268175432609268,1.818364832911322,2.176563406115809,3.953622650392353,2.8094427450034374,18.282154765731445,16.99940705425063,14.052406646961892,86.83136256599344,55.42875596582823,4.714103813253112,35.95983987826913,26.03637979400121,70.03799667272237,17.129461794221612,17.161402724160467,61.78416394901145,19.655848162731274,70.99486088885101,16.477918509281796,19.211579687504795,33.33971312154753,18.849712806479946,40.68170952343154,15.928827912736276,12.442208112790157,27.400557475594628,10.56415568725911,16.922693926028614,7.541673546960719,10.903119979648858,7.5739769909889,7.788326654912908,15.371717177833537,8.733510872066386,10.974886056993851,18.169841245790405,9.484495856202239,43.52859410956476,18.044039871095887,2.3848176593488035,22.252353793256912,9.32319164654865,47.74264504815034,6.692005407999482,5.841692318998181,33.559117265529025,9.078036210999542,51.734810192392466,7.0611292959263805,8.305189035944558,15.998582203231244,8.431296773770766,25.67271583387159,5.769409334942645,6.5230840076652115,13.38546579775932,5.5975240847656735,12.812528926569339,7.222446013608327,12.897951492361132,10.323888702960001,5.775752391435306,12.240600961003935,4.3360015103190115,27.638904853657586,4.911106143564461,0.6068408357774011,0.833580491684373,0.14811738364969465,0.481967569890824,0.3388897515312756,0.36085328383878146,33.15685183299945,155.49027130630918,271.018238995367,0.7503707375265596,1.181710605260881,30.5879677770002,4.137907951895099,0.20155070931151445,0.8757578469491897,0.11847159593094661,0.5876411897208467,0.22783539456346125,0.0394843013669526,34.92742643820681,133.56921998138253,194.00695901903813,0.8136367704237844,0.8549608856512605,27.707700320021658,4.4426539914136365,0.3540172236776451,0.8524299659229018,0.13667866141064894,0.48340350095528173,0.273145478563585,0.12251221515251112,32.50437153511294,134.47750459322404,210.55988308798263,0.7786449488843527,0.8790611946713778,28.297944914696913,4.8816785153730295,0.5900414994528528,0.8379693720312195,0.14455809749848214,0.5046536446338762,0.3320697246352622,0.34098597197908564,33.7696649295228,157.71882447924486,272.9976893385557,0.7569540580468291,1.177709341248224,26.820534269777102,4.582980985882831,0.4303171899802041,0.8425166625971344,0.14396573185804093,0.4537711379487392,0.2949560420352608,0.1812692479950782,31.833832445640137,136.4314710299234,221.15903122663403,0.7637749938957016,0.9299964279790782,27.83551024089944,4.970309993851312,0.6383906532072732,0.8322968161560642,0.1486149579220878,0.488823238867649,0.3469664190378747,0.3992536097306345,33.44421088795802,159.29404374295595,281.06031313809365,0.7484452242340963,1.2350432676361582,28.209331767169992,4.902854222208637,0.5937605674879695,0.8369244791739328,0.14545962131450138,0.5016166578640263,0.3356984292971701,0.3451907875431113,33.7059465568666,157.96695170417428,273.79369061829254,0.7553867187608992,1.1825058747043076 +UMLCN0409,L,methyl-5(Z)8(z)11(Z)14(Z)-eicosatetraenoate,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC,Esters,Olefins,C21H34O2,BioCompoundML (2016),Unknown,UML,,29.6,0,1.5148999999999975,2.2949220099999925,98.8569,61.23496199999995,0,0,57,23,34,0,21,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3576.0287189999976,3729.1512580000035,4160.270470000012,3986.7041610000015,3669.362531000001,3433.3694020000007,3215.4497130000004,3030.800072,2879.4204789999994,10383.483801316292,12856.054596062368,16381.51208298517,16944.123253530142,16079.025786685732,15105.940249732583,14018.767515466108,13126.705786881497,12429.75506397875,413.4820439999997,415.3709440000002,732.5385040000011,925.5876120000023,888.5991320000023,857.7669040000023,776.3388360000021,720.5715680000015,690.4651000000013,74.97014676486587,94.86762653999993,130.7282087255839,141.39505554705408,134.4209663608089,127.79664968705367,118.3745162608087,110.46653171141276,104.0726960388658,9320.784218319466,8075.289373193603,15449.696285880027,20870.385262113206,19914.967052149623,19544.717935240824,17663.599122498596,16337.766515172914,15567.220113263771,160.52777777777777,139.25,226.16666666666666,254.3333333333333,247.91666666666663,229.99999999999997,207.66666666666666,188.41666666666663,192.49999999999997,62.73734594736838,66.59198675000006,41.602704700000125,30.904683418604662,29.832215699187,28.61141168333334,29.499538651376152,30.007921504950495,29.99396332291666,182.1663824792332,229.5724035011137,163.8151208298517,131.34979266302435,130.72378688362383,125.88283541443819,128.61254601345053,129.96738402852966,129.47661524977863,7.254070947368415,7.417338285714289,7.325385040000011,7.175097767441878,7.224383186991889,7.148057533333353,7.122374642201854,7.134371960396055,7.19234479166668,1.3152657327169452,1.694064759642856,1.307282087255839,1.096085701915148,1.0928533850472268,1.0649720807254472,1.0860047363376946,1.0937280367466609,1.0840905837381853,163.52253014595556,144.20159594988576,154.49696285880026,161.78593226444346,161.9103012369888,162.8726494603402,162.0513680963174,161.76006450666253,162.15854284649762,2.8162768031189085,2.486607142857143,2.2616666666666667,1.9715762273901805,2.015582655826558,1.9166666666666665,1.9051987767584098,1.8655115511551152,2.005208333333333,0.37560492968139325,-0.15609922527908757,-0.018990005647321475,0.022617423857327134,-0.05788192079063775,0.011822248271084109,0.03309950535194359,-0.0374343135984891,-6.227987269742117E-4,1796.3289470526295,-15.642336121879787,-517.0022956011055,11.174973091412266,-286.03639379778355,38.28520041551208,75.76919881163413,38.86549583656513,-72.42590850969492,2944.9514248601263,-137.56781410332965,-1005.9359073863116,-10.034460153745158,-245.54310608122748,113.49801178760148,57.7326487357596,-2.2709368963066936,-66.51274510859713,2.2500720000000047,0.05087999999999292,0.6572239999999934,-0.04559199999999708,-0.4131480000000016,-0.07703199999999535,0.07409200000000629,0.052068000000005096,-0.14310399999999898,13.183751768700331,-0.9413160508800769,-4.1083066729569655,-0.18234909434935268,-0.38871914205400326,0.5895764137156426,0.020626943491127425,-0.2291447910592477,-0.15973878993548232,72.57682760912472,-5.666102989977328,-21.254873302977224,-1.257995433666375,-1.0278947614412268,3.3070817512429995,-0.28047481955583375,-1.611693984294023,-0.6865757429715686,44.94834307992213,0.7578656680688101,6.491210970897021,-0.28367702882939794,-11.034728634451636,0.09023289217193614,3.155312745802122,-1.2262063540918708,-1.3481840566328178,0.006589560169849004,-0.0027874861656979923,-1.8990005647321476E-4,1.7532886711106306E-4,-4.7058472187510366E-4,9.851873559236757E-5,3.036651867150788E-4,-3.706367683018723E-4,-6.4874867393147045E-6,31.514542930747886,-0.2793274307478533,-5.1700229560110555,0.08662769838304082,-2.325499136567346,0.319043336795934,0.6951302643269186,0.3848068894709419,-0.7544365469759887,51.665814471230284,-2.4565681089880296,-10.059359073863115,-0.07778651281972991,-1.9962854152945324,0.945816764896679,0.5296573278510055,-0.022484523725808846,-0.6928410948812201,0.03947494736842114,9.085714285713021E-4,0.006572239999999934,-3.5342635658912466E-4,-0.003358926829268306,-6.419333333332946E-4,6.797431192661127E-4,5.15524752475298E-4,-0.001490666666666656,0.23129389067895317,-0.016809215194287085,-0.041083066729569656,-0.0014135588709252146,-0.0031603182280813273,0.004913136780963689,1.892380136800681E-4,-0.002268760307517304,-0.0016639457284946075,1.2732776773530652,-0.10118041053530943,-0.21254873302977223,-0.009751902586561046,-0.008356867979196965,0.02755901459369166,-0.0025731634821636123,-0.01595736618112894,-0.00715183065595384,0.7885674224547743,0.013533315501228752,0.06491210970897021,-0.002199046735111612,-0.0897132409305011,7.519407680994678E-4,0.028947823355982772,-0.012140656971206643,-0.014043583923258518,-0.423015511483199,-0.028818320430871215,0.02660706672249426,-0.07141367705060152,0.0149507301023135,0.046082770152782004,-0.05624605569241888,-9.84509826467426E-4,-0.008863445405559766,-0.16405197331822333,0.002748816588373253,-0.07379130142161826,0.010123685991480842,0.022057443950700577,0.012210454402481473,-0.023939314259890643,-0.04754726377837227,-0.19470048380761698,-0.001505570242448123,-0.03863841953766448,0.01830643288171427,0.010251601242944523,-4.351915082714738E-4,-0.01341004882961873,0.023016406332136974,0.16649141894125852,-0.008953181198459455,-0.08509009012524622,-0.016261790733806614,0.017219607993952345,0.013059542490681152,-0.03776234716044607,-0.07267470465797589,-0.17762279240913842,-0.006111527056662733,-0.013663647659712716,0.021241965218110125,8.181712587590107E-4,-0.009808993661083986,-0.007194075570306536,-0.07946452870017078,-0.16693038510784708,-0.007658897002603271,-0.006563272197286548,0.02164415122000907,-0.002020897348575839,-0.012532510751544532,-0.005616866440964645,0.017161900321852202,0.0823164993386384,-0.00278866038907121,-0.11376736899836401,9.53552919747446E-4,0.03670938277651583,-0.015395838866147087,-0.0178089831298654,1.4703790190797776,1.1105288306445948,0.9139608345326782,0.9892808490465919,0.7686944054593962,0.6875084013977444,0.8561754369225311,0.8993137686711581,1.1590184372500696,1.2234340825859957,0.9628461965652104,1.0625520066264964,0.9386389139731437,0.9171512447658046,0.933744480528939,0.9963832316523715,1.317114777366516,1.2932273836988146,0.9945984748048085,1.024999509004637,0.9594406493344627,0.9827952436210092,0.9970622216860324,0.998632150280556,0.7288069004014074,0.8003642194560865,0.8064799221859849,1.099925402206458,0.7667125318656449,0.5784426519146478,0.6154938619521914,0.930722883534391,1.3834718039621474,1.294275173612492,0.999449722526379,1.0013854316097086,0.9542004138275529,0.9909540111901004,1.005956196391871,0.9923626615300049,1.3954315259248113,1.2872807375417494,0.998168553584723,0.9951324709138427,0.9497029294122485,0.9874924936998833,1.003062462626153,0.9893982527638789,0.6155213912440083,0.640241125832121,0.877665553387716,1.3269071190614297,0.7711733200338251,0.5942034549937093,0.669195032780376,0.9266553006483488,310.7091862982587,155.6045931491293,246.43507723623304,311.1657080373891,13.528943827712572,155.6045931491293,0.4999999999998863,0.054439488148777304,0.0023669342673381436,-6.694530657727035,229.03446362262747,9.958020157505542,12.497906723318867,310.721936851157,155.61023400467718,246.44140729085265,311.17711747385897,13.52943989016778,155.61023400467718,0.4985311581973235,0.054368078139434894,0.0023638294843232564,-6.697549621401558,229.06215616033458,9.959224180884112,12.498184799314425,322.2525408511843,160.72727594753388,252.22434030326684,321.52394223907777,13.979301836481646,160.72727594753388,-0.7979889561165123,0.009823201654539593,4.270957241104171E-4,-10.63291880407815,273.63308734512276,11.897090754135773,12.907112656945682,310.7353194274193,155.61615451392845,246.44805127122055,311.18909254086213,13.529960545254877,155.61615451392845,0.4969896004376153,0.05429312999926128,0.002360570869533099,-6.700722432613369,229.09125118257518,9.960489181851095,12.498476922215492,334.9459062413522,166.3906588563369,258.72456963925777,332.9695428021241,14.476936643570614,166.3906588563369,-2.1645885286783937,0.08040386501437508,0.0034958202180163074,-5.797593972759477,484.452086846327,21.06313421070987,14.220942629310082,312.04768942109143,156.19697889642396,247.10036983600492,312.3638474996518,13.58103684781095,156.19697889642396,0.34626837175648006,0.04695064079055361,0.0020413322082849395,-7.03491437763778,232.09986915712258,10.09129865900533,12.528485823954195,328.47559224755156,164.34063309822218,257.8618511181985,329.0918136153256,14.308339722405456,164.34063309822218,0.8337112622824066,0.06223690553000416,0.002705952414348007,-6.386656373001401,254.73632723747326,11.075492488585795,12.74252669854407,0,11.99614623869371,15.998265036922794,-0.3496103646494117,0.26127476108776077,4.048163768423433,8.01721193383759,22.0,56.0,51.0,51.0,17.0,5.0,5.0,0.0,0.0,5.0,40.04303799999999,3.628525256067487,3.571067420169273,3.49169923068699,3.3821565772638627,3.245484301112358,3.06936321044513,2.8571037547085876,2.7196583187066365,1.929194963687171,1.893542115423729,1.8221757662556517,1.7210211051406943,1.602927081309042,1.4852836860601393,1.410262956576519,1.2935769037670595,3.6441056780409045,3.573375902043735,3.474109379983653,3.3637983711172432,3.235552728471315,3.0672477748987097,2.8519540659359652,2.74090236375691,1.8821952430946354,1.8451068653361833,1.7754363709344634,1.6776571459706353,1.564478478726312,1.4518253653103157,1.3436972867343178,1.219052041394619,3.7324220257638334,3.680201072829195,3.6035535878071885,3.5053879657220905,3.380865720771426,3.2268921747895942,3.062039813822582,2.9363029365951614,1.7476138986975018,1.6898078528410296,1.6028459145129115,1.4940774336373839,1.3643124442269734,1.213899884478378,1.0596699136421446,0.9570037120618272,3.6579354168025646,3.5874992764392317,3.4867936195779454,3.3724320872630074,3.2410771531479345,3.0753624714143077,2.865545831577803,2.7620847852874966,1.8540963871116294,1.8173487962979544,1.750334840930272,1.6562510008853293,1.5438706642675137,1.4218795714960293,1.2973484129209591,1.1715832729554547,3.774573967903177,3.724377397115234,3.6472185012939926,3.5477668315924764,3.4264659569812324,3.2848368239079893,3.1399891740147745,3.018795188496704,1.7081266380458757,1.6458069919469143,1.555384795068683,1.4476665113013012,1.3197155851524411,1.1627311420424118,0.986735597884854,0.8776681442995921,4.757297801572344,3.7215354521064796,3.6234991940544163,3.4798477289041183,3.3499013484147544,3.253726504522768,3.195574637276463,2.9766448442670157,1.8251798477735273,1.7871667035679515,1.7015578537903018,1.5739110656826094,1.4305236372032775,1.2800469286011305,1.1300635167732065,1.0342501391393464,0,0,1,8,0,1,10,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.49279927982674443,0.348461712529338,0.24639963991337221,0.10059223176554563,0.07112944921610614,0.04647312798543378,17.012379111734035,11.308060412490448,7.958949390073598,5.497400240710626,3.4217971592115934,2.294575975123381,1.5341218843091595,1.0222879875616908,0.7396686570319145,0.5140027460222931,0.36177042682152716,0.26178096384336313,0.18009458732692596,0.12747644306241007,0.09024246378289173,0.06389299922260568,15.006366546310213,8.976476409751784,5.556867918480199,3.4368700031441706,2.0272563302029174,1.189292457310721,0.6946484092124654,0.41394945974877595,0.6524507194047918,0.40802165498871745,0.2525849053854636,0.1636604763401986,0.10669770158962723,0.06607180318392895,0.04086167113014502,0.025871841234298497,31.64067087319352,55.75455207574662,53.03137254901954,53.72000000000005,35.535905389221604,434.7601568862276,0.5550994890033951,0.9781500364166075,0.9303749570003428,0.942456140350878,0.6234369366530106,7.627371173442589,6.009860000000008,99.34000000000006,179.46513481942765,285.5734125977843,358.9302696388553,15.605663897341536,179.46513481942765,0.04431139646410187,0.001926582454960951,-7.167980770526613,261.26206027677296,11.359220012033607,12.80070512169041,701,0.0,0.0,2.0,9.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,8.0,6.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,10.0,0.0,8.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.498386306331653,17.523655186869934,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6174444921253075,0.0,0.0,2.723654917859797,2.6026174717363633,0.0,2.6174444921253075,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.668909015063491,0.0,10.475716158401585,0.0,17.64783360790743,0.0,0.0,0.0,0.0,-0.12417842103749432,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.90408597287076,4.594300333460893,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.594300333460893,-0.12417842103749432,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2908241101433338,0.0,0.0,0.22866302049323456,0.3267791484169268,0.0,0.2908241101433338,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4318552481524054,0.0,0.5084565451213215,0.0,2.131404662018215,0.0,0.0,0.0,0.0,-0.12417842103749432,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.90408597287076,4.594300333460893,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.90408597287076,2.2924955184996967,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3443308698668963,0.0,0.0,0.5544542066637159,0.5544542066637159,0.0,0.3443308698668963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2370537669110857,0.0,1.3379960045561334,0.0,2.2924955184996967,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.90408597287076,4.594300333460893,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,47.166666666666664,2.050724637681159,0.574073598844608,10.90408597287076,0.22866302049323456,-0.12417842103749432,11.593166450437362,1.790845087704161,3.9040859728707598,13.76654736230034,1.790845087704161,3.9040859728707598,13.76654736230034,11.16666,0.48551,0.0,0.01449,0.4883,0.76667,0.42958,0.46513,0.76667,0.05873,0.02318,-0.03555,0.0,0.63327,0.08102,0.0,0.1194,0.04478,0.0,17.25,0.75,11.75,0.51087,5.5,0.23913,-6.25,-0.27174,0.0,0.0,23.32892,1.0143,33.74459,10.41567,0.45286,8.01135,0.34832,11.30805,3.2967,0.14333,0.10595,0.00461,0.10595,0.00461,0.0,22.02,2,2,2,2,0,0,0.5714285714285714,1.1449531285355223,2.5395354935332453,3.8540481278582295,4.441938917407824,4.60702504958707,4.894122031632687,65.26232832652477,144.75352313139499,219.68074328791909,253.19051829224597,262.600427826463,278.96495580306316,0.19629259693823958,0.43538202972560275,0.6607441797289094,0.7615331176519536,0.7898357483853201,0.8390561145071609,4.68793688562922,3.293354520631497,1.9788418863065127,1.3909510967569183,1.2258649645776725,0.9387679825320552,0.19305409485661307,0.42819894879661197,0.6498429973366466,0.748969085053621,0.7768047693510283,0.8252130811181438,9.529306401887139,21.243486043006786,25.893921516181926,27.54894609421567,28.63228114253807,29.693005367164073,84.70388366929171,53.67935087282657,38.756973828758404,31.688555189275192,29.002315970315586,25.31594349289112,23.0,20.045454545454547,19.954648526077097,23,3,20,3.55,2.969900000000001,0.047619047619047616,4.119777230204742,0.3244428422615251,0.0,31.58949783389692,2.383100997386957,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.512,0.502,0.9580000000000001,0.6240000000000001,10.603,22.0,21.0,19.0,18.0,17.0,16.0,15.0,14.0,13.0,200.0,3.332204510175204,3.4965075614664802,3.58351893845611,3.6888794541139363,3.828641396489095,3.9889840465642745,4.143134726391533,4.2626798770413155,4.418840607796598,4.532599493153256,6.329720905522696,2.8,0.47619047619047616,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,0.6818181818181818,17.0,0.7727272727272727,2,11.0,21.0,0.9090909090909091,1.5,0.666666666666667,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.06818181818181818,0.030303030303030318,0.011904761904761904,0.008421052631578949,0.006172839506172841,0.004801920768307323,0.00390625,0.0032921810699588472,0.0028571428571428576,0.0025429116338207248,0.16308232504028072,179.46513481942765,285.5734125977843,358.9302696388553,15.605663897341536,179.46513481942765,0.04431139646410187,0.001926582454960951,-7.167980770526613,261.26206027677296,11.359220012033607,12.80070512169041,26.3,376.1702957411243,5.523561956057013,4.48863636973214,5.1647859739235145,5.855071922202427,6.541029999189903,7.234898420314831,7.924072324923417,8.619569258033104,9.310276200588783,10.00672080717778,110.14506127608593,3.8066624897703196,0.0,4.890349128221754,0.0,6.102558594613569,0.0,7.370860166536716,0.0,8.669914278433902,8.994420665751292,318.25588032800096,5.583436496982473,44.654899820162214,1.9415173834853137,5.135513483289332,5.135513483289332,0.0,1986.0,21.0,8.670000000000007,88.0,1.2362066912979501,2.158177453972421,2.941113471029892,3.707121993330585,4.671447437026713,5.791916199670813,6.6617177264829595,7.352572052909474,8.198107452827806,8.709740856421599,93.98439174772193,99.90857138663536,104.00429785622319,133.22700902522703,157.96086929704015,191.20249306842302,218.58718047502649,241.57065086599187,258.3472715997798,264.89508073172317,309.74992157146687,379.0831993711537,419.63750764861345,545.5931291018844,657.3577297117855,798.5106219432791,914.8803282505417,1007.338385426123,1086.5772225907856,1127.065776019295,9.219746390635791,15.877075579410619,21.16465292476595,26.881349447604187,33.62790305683917,41.4228159508331,47.734874239343945,53.09935621837695,58.81161772995402,62.4682504685017,2.230583396624109,2.9688446096455623,3.4151497568237117,4.420742194398053,5.397106294721331,6.605937375478398,7.568652961413463,8.298062028721064,9.044303128789513,9.433900886123592,176.1409786838153,329.8079761860939,471.64608673220886,590.0373135571742,748.3239514781641,929.6757850383323,1070.0250746182521,1182.1042201546472,1323.6494397950792,1411.7553275718724,3.1898835604825777,5.059474160379922,5.956564345597677,7.737339396554884,9.49382206510896,11.484685654051333,12.954830715172038,15.32075454069819,16.502795834822276,16.89901478194338,0.47519671654927187,0.6444782026894164,0.7447002382638364,0.965139509806724,1.1763266736454616,1.435252840073525,1.6484031850187577,1.824509887937211,1.984429578391655,2.0744402259755947,652.3896427042279,1076.838902946052,26.898385743764628,227.27527257529866,-375.14215304258937,-26.474800317138904,425.1143701289292,1451.9810559886414,53.373186060903535,0.741634264789248,1.2241466997735955,0.030577990865098062,0.25836573521075185,-0.4264602879192725,-0.03009646043314816,573.8842797786552,947.2574023297374,23.66156621644474,199.92608339508143,-329.9993902739886,-23.28895297801838,0.1582434154842863,0.1932326951193967,0.8659183113592509,2.6084446434720183,828.3133989679595,51.351516311567124,0.9416237758041658,0.05837622419583417,1593.0383110605724,39.912884023339785,11.67908287199259,1933.840037056574,43.975448116609044,12.458722589789389,3002.365939438788,54.793849467242104,14.426286123635771,1.2409267431343973,1.1118047619645353,7525.2930191899595,4451.377402848114,3112.072091789353,1.6905538079909983,2.418097266783794,1.4303580609820314,9.639982826306024,8.430659253581537,13.544147195744738,0.6065347665416408,14.030845858233691,15.822922083921872,10.876448989514895,48.01911480015028,38.29933516222879,8.057544116613956,18.708126463228236,15.532389545700225,60.887867055048225,11.677159326709901,15.925946684636303,28.704184895931398,32.899788476966805,35.31408994461388,16.506564326300545,29.94729392533145,32.744497416033454,33.42977610837666,14.943254055749941,17.687919893463558,12.758830034443987,8.98323745454581,7.941677102756202,6.3113762719784825,3.403640283384467,3.369885304315192,1.8904820758793316E-9,4.1749956005385465E-40,1.7810763101921833E-92,1.465504450848083E-166,1.184833625866319,16.074866808632436,0.9494476098942737,19.426570674590845,3.021888073635291,0.7360010070675873,2.1333722318897315,4.7594802099996345,10.768713293002234,2.4657886763633496,2.8627854716843544,3.952464867207428,4.4259494527484025,8.106311446310903,6.569089809157221,4.179490565543813,7.423476835827208,8.406865393645802,5.789069709128765,3.7386994839546266,1.9016717661863793,1.5764478172187346,1.6782224977038287,0.46116150945028506,0.14344890726407625,0.023734378964804105,1.3314819836224261E-11,2.9404835384299043E-42,1.254426608289604E-94,1.0321667674712458E-168,3.8037679791476386,15.590883538471354,2.7999160073531733,20.934695795252924,5.782899509470777,2.2182097198535264,5.287820373869246,6.02239926820188,17.190147830148252,3.0994475073748493,4.246131602619083,7.028907431672822,8.200946179982973,12.034883093902101,7.170548459827529,6.932123263732918,10.608178726312707,9.087545675841353,6.717712352181112,5.0306247219352285,3.166683383187745,2.847697159737862,2.4058619626133715,1.5337596135008051,0.55676692122315,0.24733051848269053,1.387506884735106E-10,3.0642105595164427E-41,1.3072092426376398E-93,1.0755973521811094E-167,13.24623556846698,16.081556975730535,10.763707490598923,45.50648861693387,34.72207128301913,7.6173871859340325,18.26218657221248,14.553641691688963,57.96045238303864,11.17428785498902,15.238482574215485,27.053606841691884,31.435151251094283,33.94673774915889,15.950395443708834,27.777028879105842,31.731170241746028,32.59823081797002,14.900099905835573,16.558174223744086,12.355112639770764,8.942605207263307,7.3815022115939115,5.910386300229534,3.1148490687198693,3.002507137116443,1.6843854942341553E-9,3.719845915369269E-40,1.5869069266982546E-92,1.3057380814340311E-166,5.602689557993475,15.407494357766806,3.981271062177782,23.21381237383676,8.958089590135529,3.238925854163722,7.356600459095058,7.164978231043559,22.4592843572386,3.9304360909856695,5.438992616012584,9.755241362255934,11.147269320048682,15.040412426198467,8.035783000117508,9.51092623776786,13.071346598142306,10.936252824493883,7.537954451312689,6.381069908682934,4.242913100557072,3.6655737374061004,3.0643258651333722,2.3061167864643735,0.9153672800060476,0.5372349330684455,3.0138503615105495E-10,6.655874795393305E-41,2.8394331529717277E-93,2.33634117738429E-167,16.944281973620434,15.99132910000716,13.570646718724587,61.33624085855785,53.93204013835193,9.727385629792915,23.02328744390543,19.575793597569174,78.60239640271129,15.246335364136861,21.199203885910553,36.97051967916878,43.08049140787238,44.24480679729682,20.477932855105102,40.05589038278211,42.18825035144881,43.98803444865525,18.237792804527537,23.218507751451604,16.609171103592768,11.202167764552623,10.308885047907133,7.845514300661906,4.574189328349302,4.914661005220687,2.757090437191036E-9,6.0888387107322184E-40,2.5975324100622707E-92,2.137300511148594E-166,7.950340865102366,15.322390361854588,7.515687004021329,31.92468689874348,14.993001751574402,4.024804234295253,12.731277328343252,8.81763361761903,35.83992271287772,6.995376669183161,8.944742842192248,17.385729766220752,20.81516059612414,23.441122400351336,10.766115651666421,15.117582153862086,22.852654089887107,26.573174964808114,13.403534331176672,10.925012411481243,9.238549478927341,7.733373723507009,4.927136608277288,3.848869123516085,1.6262105189071412,1.1053780856335342,6.201093685260385E-10,1.3694675651683882E-40,5.842224690208906E-93,4.807096830922347E-167,13.23025732323668,11.074374823003408,0.33210717174697457,0.5370133260117497,0.44950651464327934,0.46812213272889974,0.5930133351181075,0.42099976848446174,24.636739317987065,154.58857124474716,227.88460012318322,0.47977976098254366,1.482135236331469,13.952481829090003,9.813509889686692,0.059910486628517355,0.5856014059322674,0.41188408334272314,0.518511854523001,0.4115536298499425,0.013700330459517561,23.825902205405214,138.34665054452984,170.37566543175268,0.4962282339124859,0.943765814832461,13.030093478070727,10.576430864338738,0.1620834675082765,0.5482060027358339,0.4449747729829424,0.44655093746957886,0.5066029637654799,0.10027733575698863,23.76860780991774,141.6381101479224,187.74374579023373,0.4897711635781644,1.0534312369920473,13.427246434926122,10.970306300074334,0.32048465722076513,0.5432165273425666,0.4438178535779178,0.4768109062983032,0.56434241280155,0.39204853456604516,24.71803739222122,155.12004748302283,227.04579734197497,0.48055157138072657,1.4332018536658984,12.80402410973791,10.832100079577174,0.21269647198423178,0.5368829046761061,0.4541985632503401,0.43564021821813187,0.5585461018102726,0.17268154320209853,23.848820661299314,143.72179080444855,197.0704360414093,0.48662220188966926,1.166867863230503,13.326295297380675,11.11468396826202,0.3545488548538203,0.5374475281437895,0.4482535687180779,0.4750329940691696,0.5975837972386806,0.4798190899849852,24.795528120496517,156.78308190826212,234.0935215580192,0.47855164529280125,1.5524358812928354,13.413443423194368,11.011125147038955,0.32178886454840594,0.542037083984788,0.44495943195108373,0.4760392403714507,0.5694553165138493,0.3952458979913329,24.74635743478173,155.55665837281984,227.8302992605476,0.48049477390380757,1.440740454876633 +UMLCN0410,L,methyl-9-decenoate,COC(=O)CCCCCCCC=C,Esters,Olefins,C11H20O2,BioCompoundML (2016),Unknown,PubChem,,38.3,0,-0.4308999999999995,0.18567480999999958,45.6946,34.299859999999974,0,0,33,13,20,0,11,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2119.1626129999977,2117.010816,2385.657564000001,2210.989510999999,1896.6960729999967,1657.6547519999967,1460.8980229999972,1264.1412939999977,1067.3845649999982,5713.142361789942,7014.572949381802,8893.0357013332,9166.294810646625,8394.448577094956,7328.111806849008,6321.313461893885,5314.515116938763,4307.716771983645,244.01838800000016,240.318936,431.3649600000001,544.191668,527.3585800000001,476.37095999999974,413.4860599999998,350.60116,287.7162600000002,40.85656609698003,51.38900620000001,70.55044783133897,76.55087119977189,70.91062072807398,62.9524653397721,53.93093648037608,44.90940762098007,35.88787876158403,5463.993529079981,4663.6301443130005,9122.855676610492,12292.737724241375,11892.072470350528,10967.070397368974,9488.115242330377,8009.160087291782,6530.204932253186,116.77777777777777,84.5,138.16666666666666,153.58333333333331,153.83333333333334,126.58333333333334,114.33333333333334,102.08333333333334,89.91666666666667,64.2170488787878,66.156588,41.132026965517255,29.479860146666653,26.34300101388884,25.11598109090904,25.629789877192934,26.336276958333286,27.368834999999955,173.1255261148467,219.2054046681813,153.32820174712413,122.217264141955,116.58956357076327,111.03199707346981,110.90023617357693,110.71906493622423,110.45427620470885,7.394496606060611,7.50996675,7.437326896551726,7.255888906666668,7.324424722222223,7.217741818181814,7.254141403508768,7.304190833333333,7.377340000000006,1.2380777605145463,1.6059064437500004,1.2163870315748098,1.0206782826636251,0.9848697323343608,0.9538252324207893,0.9461567803574752,0.9356126587704181,0.9202020195277956,165.57556148727215,145.73844200978127,157.290615113974,163.90316965655165,165.16767319931287,166.1677332934693,166.45816214614698,166.85750181857878,167.44115210905605,3.5387205387205385,2.640625,2.382183908045977,2.0477777777777777,2.1365740740740744,1.917929292929293,2.0058479532163744,2.126736111111111,2.305555555555556,0.30602594105935654,-0.15714053968246716,0.01562913028672431,0.015935176838346075,-0.035366848188400773,0.005476764495558506,0.0025767702811160206,0.0012463988194925774,-0.023705323284033984,1090.1095875151516,-15.673572378329872,-239.68547784481245,-14.1743374435259,-248.45515354820918,12.746892727273249,5.317799140496291,-2.1112944462806666,-9.540388033057667,1624.9634000838835,-144.7475104702387,-515.8633621417482,-79.43009974578132,-218.93976420056373,23.112574409354522,20.353987297144414,17.595400184934448,14.836813072724595,2.0748329696969683,0.03331202938475754,0.6581671441689642,-0.08446911294765849,-0.4685441763085386,-0.09706036363636411,-0.13434446280991738,-0.17162856198347065,-0.20891266115702395,7.233936605476964,-1.009815715500074,-2.041425812136265,-0.5914625712411088,-0.4598108755927206,0.030666701193816898,0.03006237283517124,0.029458044476525586,0.028853716117880818,40.15254061247697,-6.1114177748944485,-10.27376043754413,-3.6724498716835416,-1.782125127409337,-0.01116028776367095,-0.011172996340494734,-0.01118570491732207,-0.011198413494149406,42.02693602693602,0.460412202836445,8.92235486174879,-0.1142485460667384,-11.92745638200185,-3.101851851851862,-4.132384450566278,-5.1629170492806935,-6.110116314661777,0.009273513365435047,-0.004910641865077099,2.694677635642122E-4,2.1246902451128101E-4,-4.912062248388997E-4,8.298128023573494E-5,4.5206496159930185E-5,2.596664207276203E-5,-6.078288021547176E-4,33.0336238640955,-0.4897991368228085,-4.132508238703663,-0.18899116591367868,-3.4507660215029055,0.1931347382920189,0.09329472176309282,-0.04398530096418055,-0.24462533418096583,49.24131515405708,-4.523359702194959,-8.894195898995658,-1.0590679966104175,-3.0408300583411627,0.3501905213538564,0.3570874964411301,0.3665708371861343,0.38043110442883576,0.06287372635445358,0.001041000918273673,0.01134770938222352,-0.0011262548393021132,-0.006507558004285259,-0.001470611570247941,-0.002356920400173989,-0.0035755950413223054,-0.0053567349014621525,0.2192102001659686,-0.03155674110937731,-0.03519699676097009,-0.007886167616548118,-0.0063862621610100085,4.646469877851045E-4,5.274100497398463E-4,6.137092599276164E-4,7.398388748174569E-4,1.2167436549235444,-0.19098180546545152,-0.1771338006473126,-0.04896599828911389,-0.024751737880685236,-1.6909526914652955E-4,-1.9601747965780235E-4,-2.3303551911087647E-4,-2.8713880754229246E-4,1.2735435159677582,0.014387881338638907,0.15383370451291017,-0.001523313947556512,-0.16565911641669237,-0.04699775533108882,-0.07249797281695224,-0.10756077186001445,-0.15666964909389172,-0.5295341335658631,0.02905778564665612,0.0229113838670047,-0.05296872991737536,0.008948203012790076,0.004874797110707503,0.002800086768575424,-0.06554460841349125,-0.01482729048553389,-0.1251000573144903,-0.005721175693324238,-0.10446223023243809,0.005846610686329771,0.0028242351534581577,-0.0013315312042403108,-0.00740534357318426,-0.09186106601830418,-0.1806246618549718,-0.021507711426817143,-0.061753632063391864,0.007111721534208528,0.007251786336817794,0.007444375440405594,0.00772585182257244,0.01655701003635416,0.1804841233403326,-0.01791296467705443,-0.10350202511616052,-0.02338992223806331,-0.037486570891102265,-0.056869462789030836,-0.08519830479369567,-0.14395653617160628,-0.16056276913356088,-0.03597536798277332,-0.02913305200293981,0.0021196412732314034,0.0024059557873699912,0.0027996382443105493,0.003375020296762238,-0.15696141475046532,-0.14558021316202632,-0.040243479463380256,-0.020342606908634788,-1.3897361902179376E-4,-1.6110006316007405E-4,-1.915239238502703E-4,-2.3598956639748014E-4,0.011297518426534205,0.12079187132919668,-0.0011961224162795527,-0.13007731132831296,-0.036903140522352315,-0.05692618423160944,-0.08445786933183799,-0.12301868536846924,1.5490151825948768,1.0132636348711725,0.8445672114892613,0.9056931920075871,0.7498575796437593,0.8491391446525381,0.9849054883114343,1.2498081074172303,1.1324699095748867,1.1590383765917747,0.9434148833888438,1.0675581376766274,0.9069857869192114,0.9254967303306524,0.9509492775213838,0.9881491541847607,1.4172301641479492,1.2771965302957766,1.0031766188521531,1.0129254566497907,0.9333169299874085,0.9251256330202712,0.9138625996904575,0.8974012432853453,0.7103492288419038,0.7699992651949722,0.7962014729831202,1.098381963461838,0.7918178094160726,0.9040076331441789,1.058268640770325,1.2837270365316151,1.5474809165474999,1.2876956072489885,1.018575999365032,0.9777231590247591,0.9298597129053406,0.9204686981835467,0.90755605294108,0.8886837252790133,1.5692059211481384,1.2782998697954753,1.0180892289002241,0.969237364135496,0.925315161689631,0.9185433455095066,0.909232098261835,0.8956233522844688,0.6047708700528762,0.5449889219786839,0.8350200288415319,1.3108876782566898,0.8013138920044865,0.9211580465343779,1.0859437590129788,1.3251574575080425,102.43214129494646,51.46607064747324,83.37926972686199,102.8552182180234,7.911939862924877,51.46607064747324,0.5000000000000071,0.11463831593301682,0.008818331994847448,-2.8157651413022013,76.5762304668587,5.890479266681439,5.639772737781171,102.44337793653574,51.47095454736657,83.38504437733549,102.865211993472,7.912708614882462,51.47095454736657,0.49853115819738747,0.11451402305729019,0.008808771004406938,-2.817175388782129,76.58537296211811,5.891182535547547,5.639927936520089,112.63276861897828,55.91738983143111,88.74778919147712,111.95754719457238,8.612119014967107,55.91738983143111,-0.7979889561160576,0.002537166466072993,1.9516665123638408E-4,-7.769719600753706,98.57133456228912,7.582410350945318,5.968014643265518,102.45517169299129,51.47608064671458,83.39110566136999,102.87570135490026,7.913515488838481,51.47608064671458,0.496989600437864,0.11438357156740486,0.008798736274415759,-2.8186571601872816,76.59498569526761,5.891921976559047,5.640091097818578,123.84016873576661,60.83779010354411,94.95332789013526,122.0085938268849,9.385276448221912,60.83779010354411,-2.164588528678401,0.12096816000144611,0.009305243077034316,-2.745896281045898,97.99244802332422,7.537880617178786,5.960357539129155,103.61235580616648,51.97931208896155,83.98745030561163,103.90535212072976,7.9927193939022905,51.97931208896155,0.3462683717566222,0.10160169873874003,0.007815515287595387,-2.9727035313404553,77.62723592320236,5.971325840246336,5.657493847203183,125.41544182227862,62.74604187456205,104.1856976256429,125.81725359254277,9.678250276349445,62.74604187456205,0.7532467532467564,0.15441095774439967,0.011877765980338436,-2.4285789762813197,72.23802256249878,5.55677096634606,5.563956496238693,0,11.789999999999996,15.995920194952763,-0.3190020499657432,0.2612345421424475,4.034321079455113,7.516237634432215,12.0,32.0,30.0,30.0,10.0,2.0,2.0,0.0,0.0,2.0,24.738139999999994,3.567643749913471,3.4558095134130995,3.2272048369363544,2.908417012222781,2.6401446534163675,2.3818148530057948,1.9812778759155671,1.598584519593533,1.9198133167122544,1.7733161272655715,1.5684718774314286,1.4258339441089614,1.2709141840106843,1.0218335558543834,0.7957251994707853,0.6278548789204392,3.557356270444718,3.4209656072122088,3.1876446245597547,2.888805959214725,2.637032122410882,2.362644504220244,1.9951471537350918,1.6540015196249087,1.8677635480263042,1.7355794857053852,1.5506111592584377,1.3785421038724979,1.192593608541207,0.9496726242198982,0.7159690933228416,0.5333834039686176,3.6866483015651457,3.570530117764793,3.3653539437024236,3.1062913309444924,2.881425120734221,2.62819831814792,2.3177695449453646,2.0423921988467106,1.6938524680208078,1.546997863155341,1.3209047239060863,1.0815197301213944,0.8930114181865902,0.6121661173146026,0.31246008603188485,0.06764871254444695,3.5730262371698145,3.4264363735357595,3.1852217987262503,2.892292043480512,2.6629159695695033,2.379586014395022,2.0220709431309127,1.7024460102684715,1.8382791565389538,1.7204593794841903,1.540245414247056,1.3405323008204042,1.1444800611995098,0.9089593123632134,0.6661938302080754,0.46587757843070204,3.7349972651347105,3.607175667461858,3.406417450994976,3.1771990181174172,2.9699510741609347,2.7133210889899964,2.432403945058997,2.1945151468455597,1.6433086959231578,1.5029658178207976,1.278483274229217,1.0169855907446979,0.801913021840755,0.5256358697171843,0.20424545302738645,0.07391961620180557,4.764108311446119,3.671400176130507,3.394337846570029,3.2489616055048036,3.0576232538312826,2.6560862806024033,2.247634378035496,1.9270651591889578,1.8599171122993625,1.6479958395241878,1.349746375763263,1.0927774426545236,0.9841830102474108,0.7152598898525838,0.4623574252573607,0.26381805889214355,0,0,2,1,0,0,7,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.49279927982674443,0.348461712529338,0.24639963991337221,0.10059223176554563,0.07112944921610614,0.050296115882772816,9.941311299868556,6.3080604124904465,4.423415484140858,2.9974002407106255,1.6540302062452237,1.0445759751233812,0.6502384078259749,0.3972879875616907,0.7647162538360427,0.5256717010408706,0.3686179570117382,0.2724909309736932,0.18378113402724708,0.13057199689042265,0.09289120111799641,0.06621466459361512,8.550701099609734,4.986546552448726,3.1712498353160727,2.0168200316231712,1.190404860398096,0.716743349144919,0.41842573490241103,0.2333716745724595,0.657746238431518,0.4155455460373938,0.26427081960967275,0.18334727560210648,0.13226720671089953,0.08959291864311487,0.059775104986058716,0.038895279095409914,17.847876246692444,32.53969410050983,30.9529411764706,31.399999999999984,19.946023952095818,253.33428742514974,0.5408447347482559,0.9860513363790857,0.937967914438503,0.9515151515151511,0.6044249682453278,7.676796588640901,3.002290000000002,54.26200000000004,55.2712334250883,87.76703173474345,110.54246685017662,8.503266680782815,55.2712334250883,0.07975193801171704,0.006134764462439772,-3.2874845074826156,80.554526151503,6.1965020116540765,5.70561458821624,201,0.0,0.0,2.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,7.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,7.0,0.0,1.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.25461473306035,5.52898362294872,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3902847660146091,0.33357837125897194,0.0,0.0,2.388130353993449,0.8414544753086419,0.0,0.7238631372735811,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4369209026203074,3.6677392918829606,7.446147408037287,0.0,1.952826252414546,0.0,0.0,0.0,0.0,-0.09158192134878651,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.711502594877865,4.543112138182485,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.543112138182485,-0.09158192134878651,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3902847660146091,0.33357837125897194,0.0,0.0,0.2784878117913832,0.32196180555555554,0.0,0.33357837125897194,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4369209026203074,3.6677392918829606,0.5674189814814815,0.0,1.952826252414546,0.0,0.0,0.0,0.0,-0.09158192134878651,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.711502594877865,4.543112138182485,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.711502594877865,3.6677392918829606,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3902847660146091,0.33357837125897194,0.0,0.0,0.5194926697530864,0.5194926697530864,0.0,0.3902847660146091,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4369209026203074,3.6677392918829606,1.2432466458805744,0.0,1.952826252414546,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.711502594877865,4.543112138182485,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,29.666666666666668,2.282051282051282,0.5597050045913683,10.711502594877865,0.2784878117913832,-0.09158192134878651,5.935838377010978,1.7582485880154533,3.711502594877865,10.844708049886622,1.7582485880154533,3.711502594877865,10.844708049886622,6.16666,0.47436,0.0,0.02564,0.50404,0.81795,0.42683,0.49238,0.81795,0.07721,0.01166,-0.06555,0.0,0.57994,0.13435,0.0,0.21622,0.08108,0.0,9.25,0.71154,6.75,0.51923,2.5,0.19231,-4.25,-0.32692,0.0,0.0,11.26902,0.86685,16.11502,4.84601,0.37277,4.61805,0.35523,6.30805,1.69001,0.13,0.10595,0.00815,0.10595,0.00815,0.0,12.02,2,2,2,2,0,0,0.7272727272727273,1.2112938253354986,2.382230595787058,3.385937878352376,3.945464952495108,4.150158513166729,4.063650847340264,39.97269623607145,78.61360966097293,111.73594998562841,130.20034343233857,136.95523093450205,134.1004779622287,0.2401267221938541,0.4722530673495493,0.671227861708593,0.7821484323268724,0.8227268557863093,0.8055775879496663,3.833100294022955,2.662163523571395,1.6584562410060775,1.0989291668633454,0.8942356061917245,0.9807432720181897,0.2380938914214851,0.4682551342628736,0.6655454760078833,0.7755270309798342,0.8157619313729964,0.7987578433774948,10.70172467385938,20.932372058683484,24.227225626297347,26.37496602912246,25.663618734337213,23.293141899813577,47.548175670650494,30.75451973486622,24.833243151485732,20.36772422787177,20.957744682023865,25.34176631466267,13.0,10.083333333333334,9.917355371900827,13,3,10,2.4499999999999997,1.6899000000000015,0.09090909090909091,3.3504576678889904,0.47140452079103173,0.0,11.24058362962237,2.1252005594420327,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4470000000000001,0.442,0.5980000000000001,0.20700000000000002,5.746,12.0,11.0,9.0,8.0,7.0,6.0,5.0,4.0,3.0,90.0,2.70805020110221,2.772588722239781,2.70805020110221,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,2.0794415416798357,4.74493212836325,1.2666666666666666,0.45454545454545453,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,0.75,10.0,0.8333333333333334,0,6.0,11.0,0.8333333333333334,1.5,0.666666666666667,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.01652892561983471,0.125,0.05555555555555558,0.022727272727272728,0.01777777777777778,0.013888888888888892,0.011661807580174927,0.010416666666666666,0.009876543209876541,0.010000000000000002,0.005509641873278237,0.28241415427949135,55.2712334250883,87.76703173474345,110.54246685017662,8.503266680782815,55.2712334250883,0.07975193801171704,0.006134764462439772,-3.2874845074826156,80.554526151503,6.1965020116540765,5.70561458821624,26.3,211.11982558485568,4.700439718141093,3.8918202981106265,4.553876891600541,5.241747015059643,5.921578419643816,6.616065185132817,7.301822342137932,7.999342952713282,8.687948111838727,9.387230538772931,84.60143175501031,3.2188758248682006,0.0,4.290459441148391,0.0,5.5093883366279774,0.0,6.790097235513905,0.0,8.103191752285786,8.422442854870427,184.14632988,5.580191814545454,24.655063341066814,1.8965433339282165,5.13459367046743,5.13459367046743,0.0,346.0,11.0,4.111,48.0,1.2391562499999997,2.146310825429067,2.8926527103635498,3.644671005441244,4.940872815715533,5.974892835417844,7.28647328749707,8.406456504394827,9.699714015999213,10.837369563558969,92.89237398390621,97.01017673006235,98.69408511644848,119.948256237572,145.17486923549598,179.05891843246974,215.33671614134008,256.6009404266383,305.66429723875376,348.9488432727946,295.4535621530145,350.6167340482836,386.16761225125805,493.90937021283037,604.449160329314,734.6509994832791,867.8034663533557,997.1530401901912,1125.208494997892,1194.2792086095656,9.357803868624998,16.027439639132663,21.047738098964693,26.810428892743957,35.83344199046056,43.57453936238521,53.42756946010496,62.25867523681968,72.92952614389566,80.86735894003927,2.11350887392,2.734623604058428,3.1348582276624652,4.027302815759321,5.043323575661031,6.094031291000003,7.177537185826499,8.143340236576117,9.015970017580843,9.568643005427246,178.67842735635003,334.3140992584866,470.51989460808466,587.8253306856791,811.656876380549,980.4990455711502,1205.035879154553,1394.436973178334,1622.791803092238,1823.680096509852,3.356791666666666,5.279053086828942,6.026609442486685,7.9447156605597185,9.807186953535448,12.41407821383273,15.90983987067986,19.8763156696718,26.849045013173455,34.50094574856796,0.4628707031250001,0.6126019282332184,0.7033779478071449,0.907419037963694,1.1365494239530307,1.3851990488091301,1.6551623690224473,1.9133306605245177,2.1867846703941707,2.3614560929633512,556.4308077477257,593.5607087987865,29.90710059971077,151.81469972869309,-161.94509635759167,-32.92258648538384,404.6161080190326,755.5058051563782,62.829687085094605,0.7856467875530466,0.8380719715593103,0.042227024787314354,0.21435321244695335,-0.22865672234847698,-0.04648470923972646,394.08961980880156,420.3867054212594,21.181569641390464,107.52207905172837,-114.69688695310005,-23.317273972776963,0.2448487053165791,0.29899950900784916,7.6924614321860005,15.540178951295067,580.740615325821,127.50489215059793,0.8199707717103407,0.18002922828965948,917.0423990932458,30.282707922067434,9.715454865142172,1111.4200576098144,33.337967208721864,10.358401566156292,1553.1092596881545,39.40950722462988,11.580678446494161,3.920317179218641,3.920317179218641,3423.2889290056764,3354.2753654471853,95.68904365612661,1.020574805595691,35.775139955497885,35.05391252002991,5.9341125391933724,7.824183867534373,14.863017620947964,0.8996252992750453,5.836223802007419,8.20782953426043,6.2987178279802025,34.87380742896742,14.869408243653918,1.8825208761869887,8.192332019914165,8.129149209829613,22.831873506282033,0.8407054746534722,3.573179598457176,14.386031812026577,5.302822828913836,17.26713905322605,2.0401682219353434,5.757371109185801,6.37057001746165,3.169617738784874,5.398971676507047,1.6227786144984933,7.94625486173671,2.8447118976199346,2.154285550898704,0.15812138985031765,0.3604408211384428,1.541228125742498,2.9751729914386633,0.0014899516569882244,0.30627556700323305,4.7827884405141715E-18,0.506312049870872,8.358685001547125,0.5480014622936485,10.379732651929585,0.3174729442974751,1.0941924251190034,0.9674319026633356,0.2616333838740919,6.065408598014395,0.02974683870872492,1.9828443993763911,1.4482742499119037,0.2780288192076548,4.12411999920028,0.021358123977393582,2.2131254204226702,1.5633170970793762,0.19274683574435758,2.093215780378914,0.013999819613342696,2.520186257952246,0.2567801345353954,0.3622764692562918,0.01598796322997407,0.03809685861125111,0.2417408146787138,0.17005888243375725,1.2003508774295976E-4,0.0021571238611128615,3.368557005260228E-20,1.5869935357542115,8.077610107384112,1.348115772147992,11.003151197416052,1.5211563477525614,1.1020427529093342,2.3390929263700273,0.9422941131895829,8.270454742407985,0.12286598289856476,1.8817109128944867,3.663456947888692,0.8261853761829516,6.0361665754714275,0.16769244564974178,2.055892595196338,1.6039084865207158,0.5659750419628369,2.198500792919486,0.12570676270081377,2.484474213731918,0.5931617297450036,0.7027521073223654,0.02888934197665316,0.07559542967617426,0.3835835995084228,0.6014391511614875,3.907866433483786E-4,0.022478893784034965,3.5102961165914157E-19,5.51403494828236,8.358382008234294,6.703567290339965,33.22013453102261,13.415865470282904,1.921175145289941,8.006902650607593,7.346512748343361,21.89148743040093,0.7654514200256929,3.647894989375305,13.594391673705841,5.095079214857934,16.781101265126782,1.8225654532601125,5.697144973582829,6.252128552464186,2.9057769945461414,5.493631349463752,1.4476364400037522,8.037026097783404,2.669099313922992,2.099071083336995,0.1914875067824175,0.4287014643340809,1.4180160770857464,2.753492857230277,0.0014029457377476896,0.2728860161547047,4.261378393363346E-18,2.331349197158529,7.970817821333334,1.7859751702205833,12.666839406838319,2.861652113871813,1.159950555401236,3.236934746068486,1.6854140012820367,10.024449927449005,0.20829096922358456,1.9548545980788299,5.317936480297978,1.2762526159136813,7.476446141161478,0.34705240986664876,2.2214740488345854,1.9360264474260394,0.8917333689924615,2.4327333616452216,0.26672658935156346,2.743529340677666,0.8804148167342543,0.9305094056504262,0.030439982387787123,0.0848911050935712,0.5175972652507471,0.9394943717640644,5.792850479393195E-4,0.04882716107769442,7.624832234268796E-19,7.048106062942594,8.303352318063897,8.462000620153141,46.79707816819191,21.179837795656738,2.140908954825952,10.081943696264464,11.462973892242493,28.79857120218145,1.1484510445249585,4.245495283709999,17.852777511013066,7.3275264014251285,21.46866853719545,2.9525981361477784,7.521375564708785,8.415764946521259,4.244478028708201,6.642768189025273,2.3582859921167407,10.560685617686884,3.710391154346525,2.606855377614464,0.23010260163700277,0.507173979430619,2.046998200662251,3.852672695497054,0.001815661339239627,0.44667413021469765,6.975247446509589E-18,3.4812084685768743,7.182779032276989,5.210567133918154,23.658498036981324,5.70525876098008,1.596815330616265,5.846453440244757,3.0978417007535213,14.098224272430762,0.3279580544840045,2.977543289920378,8.119758222810145,3.5642424235451986,13.435639143824195,0.6869545606447766,4.071158136856304,5.757074059024098,1.320424688132801,7.796930010503542,0.5400109153817026,6.54242144079666,1.8051443416324022,1.7300612947189198,0.16716194817087573,0.40077377079655735,0.9788724622642693,2.2567096590959466,9.600610331192662E-4,0.1008798767384562,1.5753365933368418E-18,18.30968759687336,0.814657940584152,0.4010358227272728,0.9377377711151696,0.041723023256557905,0.5085967655754159,0.5997451792255026,0.4848402248374993,19.525381360184785,22.58568003714296,48.09296482242396,0.9066066566727544,1.5931821696384179,18.452782776365076,0.45122330601343563,0.07239053612837053,0.9724070985304372,0.02377813423088852,0.5165724277105391,0.18294156661194583,0.015797773912813663,18.976396618506882,9.694796784776592,29.27394058103013,0.9586106477956557,0.7153117682352986,17.95338511082819,0.5431925072043491,0.2008823837112155,0.9602044935062747,0.029051673711492906,0.4889952876810478,0.2666407548136542,0.12165109275671587,18.697460001743753,13.467780873565887,34.12427486279513,0.940306740259412,0.8772871352514178,18.454311639101434,0.8114519082595022,0.383899994771359,0.9391668004661852,0.0412959695986452,0.5166498210071653,0.59465841067024,0.44429202780451793,19.649663542132295,22.3709129202625,47.769396881200635,0.9087502006992777,1.5556002594819232,17.836862298959822,0.603425855680964,0.26492035746607595,0.9535773037448363,0.032259777018278056,0.48269688562908675,0.32906090474713295,0.21157432932587694,18.70520851210686,15.648431625118238,37.205037259085415,0.9303659556172545,1.0233321197020966,18.408135506503196,0.8539960900291756,0.42537880676369444,0.9350159125971216,0.04337755625445665,0.5140756779190633,0.6589687708749511,0.5454864981768783,19.687510403296066,23.914178301539163,50.2888459199712,0.9025238688956825,1.7185309469708927,18.521766612832838,0.8158671388830205,0.38625381672921627,0.9390525345756163,0.041364418452084044,0.5204287074767606,0.6006183925259628,0.44975694249819653,19.723887568445075,22.580535576582946,48.1412207290742,0.9085788018634244,1.57080404250092 +UMLCN0411,L,octadecyl acetate,CCCCCCCCCCCCCCCCCCOC(=O)C,Esters,,C20H40O2,BioCompoundML (2016),Unknown,PubChem,,90,0,-4.6263000000000005,21.402651690000006,68.9126,63.475719999999946,0,0,62,22,40,0,20,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3437.860981999997,3657.529665000003,4212.283817000015,3848.1333469999995,3647.40409,3456.743744999999,3259.9870159999987,3063.2302869999985,2866.4735579999983,10146.469366152547,13120.957392536151,17464.356374770086,18324.57078588379,17563.401000279435,16743.10512190994,15736.30677695483,14729.5084319997,13722.71008704457,446.2523119999996,450.53622000000036,857.5786520000011,1171.1997080000033,1106.018296000003,1083.444180000003,1020.5592800000031,957.6743800000028,894.7894800000026,74.84892419395989,98.7599923999999,143.54334710352705,160.09849599743052,154.5056167440344,148.1517653137322,139.13023645433594,130.10870759493966,121.08717873554366,10303.495774374962,8867.230303381002,18449.283309856288,27147.11126239082,25693.031739132133,25323.582496239036,23844.627341200456,22365.672186161875,20886.7170311233,150.27777777777777,128.08333333333331,229.49999999999997,266.0833333333333,244.83333333333331,238.58333333333331,226.33333333333331,214.08333333333331,201.83333333333334,55.4493706774193,59.95950270491809,35.69732048305097,23.464227725609753,23.380795448717947,22.593096372549013,22.638798722222212,22.690594718518508,22.74979014285713,163.65273171213786,215.0976621727238,148.00302012517022,111.73518771880359,112.58590384794509,109.4320596203264,109.27990817329743,109.10746986666445,108.91039751622675,7.197617935483865,7.385839672131153,7.267615694915263,7.141461634146362,7.08986087179489,7.08133450980394,7.087217222222244,7.0938842962963164,7.10150380952383,1.2072407128058047,1.6190162688524574,1.2164690432502292,0.9762103414477471,0.9904206201540666,0.968312191593021,0.9661821975995551,0.9637682044069604,0.9610093550439973,166.18541571572518,145.36443120296724,156.34985855810413,165.53116623409036,164.69892140469315,165.51361108652964,165.58768986944762,165.6716458234213,165.76759548510555,2.4238351254480284,2.0997267759562837,1.9449152542372878,1.6224593495934958,1.5694444444444444,1.5593681917211328,1.571759259259259,1.5858024691358024,1.6018518518518519,0.32289973667541166,-0.15944310374586357,0.05250071289357746,-0.051479069896039106,-0.013410201422924688,0.00691105982838724,6.193275266562872E-4,2.2504902161674155E-5,3.4152607167651193E-7,1862.3770877419327,-20.785182068673137,-563.1033161217412,-119.73608647866722,-84.7133119313204,11.673307991675838,10.472516212279597,9.27172443288313,8.07093265348649,3034.768686216268,-155.33385656032036,-1293.0853358769996,20.76877231855525,-150.61832681475073,7.415925847079734,7.255910490499446,7.09589513391893,6.935879777338414,2.2932077419354835,0.0587095442247504,0.8200721040582593,-0.3371043496357926,-0.04769767325701137,-0.014992782518196395,-0.024558884495305338,-0.03412498647241428,-0.04369108844952332,13.495788104953514,-1.0420359085323285,-5.946997236673607,0.6883782283277062,-0.672188194850412,-0.02714759074950046,-0.02751919223482191,-0.027890793720145135,-0.02826239520546925,74.12774690346961,-6.24669301958988,-32.143702175389265,4.64282849448673,-3.664537131936221,-0.2629729208198759,-0.26895152271091316,-0.2749301246019433,-0.2809087264929806,42.70609318996402,0.7748294600531858,15.142704358885428,-3.9152214128800815,-0.8465140478668003,-0.4467568505029451,-0.6507110648629895,-0.8546652792230303,-1.058619493583072,0.005208060268958253,-0.0026138213728830093,4.449212957082836E-4,-3.13896767658775E-4,-8.596282963413262E-5,4.517032567573359E-5,4.300885601779772E-6,1.667029789753641E-7,2.7105243783850154E-9,30.038340124869883,-0.3407406896503793,-4.7720620010317045,-0.7300980882845562,-0.5430340508417975,0.07629613066454796,0.07272580702971942,0.06867944024357873,0.06405502105941659,48.94788203574626,-2.5464566649232845,-10.95835030404237,0.12663885560094665,-0.9655020949663509,0.048470103575684535,0.05038826729513504,0.052562186177177256,0.055046664899511225,0.0369872216441207,9.624515446680393E-4,0.006949763593714062,-0.002055514327047516,-3.057543157500729E-4,-9.799204260259081E-5,-1.7054780899517595E-4,-2.5277767757343907E-4,-3.4675467023431207E-4,0.2176740016927986,-0.017082555877579154,-0.05039828166672548,0.004197428221510404,-0.004308898684938538,-1.7743523365686576E-4,-1.911055016307077E-4,-2.0659847200107508E-4,-2.2430472385293054E-4,1.1956088210237035,-0.1024048035998341,-0.27240425572363786,0.028309929844431283,-0.023490622640616802,-0.0017187772602606267,-0.0018677189077146747,-0.0020365194414958764,-0.0022294343372458777,0.6888079546768391,0.012702122295953865,0.12832800304140193,-0.02387330129804928,-0.005426372101710258,-0.0029199794150519287,-0.004518826839326316,-0.006330853920170594,-0.008401742012564063,-0.501880016339719,0.085429367697636,-0.06027133931796118,-0.016505728658037865,0.008673157249151579,8.258133315803699E-4,3.2008650124302235E-5,5.204479668833E-7,-0.0113435259150111,-0.158865702338883,-0.02430554036106943,-0.018078031228902655,0.002539958278233207,0.002421099392556214,0.002286392655455566,0.0021324420987690663,-0.05202383758021699,-0.22387792583220598,0.002587218288800796,-0.0197251046380567,9.902390371106802E-4,0.0010294269169468227,0.0010738398474277498,0.001124597482263095,0.02602119061357034,0.1878963405411328,-0.055573634235764495,-0.008266485076709568,-0.002649348565443469,-0.004610992700023073,-0.006834189385879956,-0.009374985598287845,-0.07847770401946125,-0.23153101093741146,0.019283093933441797,-0.01979519212873042,-8.151420577422862E-4,-8.779436227777593E-4,-9.491187298180225E-4,-0.0010304617092926412,-0.08565075951192223,-0.2278372749796209,0.02367825441450973,-0.019647414963452407,-0.0014375749242038682,-0.0015621488189719924,-0.0017033325663758227,-0.0018646854205516758,0.018440731135158258,0.18630447306841608,-0.03465886410857388,-0.007877917298815302,-0.004239177836472381,-0.0065603580920408616,-0.009191029048351765,-0.012197510141278524,1.5933170214320331,0.9541232368005657,0.9433880815331676,0.7136548300789909,0.6947902340967098,0.7237229523238471,0.7549304319343816,0.789803257932744,1.3129330317120114,1.2787772349626068,0.9927081111892948,0.9619568755584629,0.9289837866692078,0.9319705981503981,0.9353556511624141,0.9392242831761467,1.5006815185989322,1.4035697846541881,0.9694763280378054,1.0121926145376476,0.9728872896426124,0.9708434914080998,0.9685271867423189,0.9658799814099979,0.7461234186118216,0.7254928100885354,0.9943199606429143,0.6627047179166311,0.6674524892343292,0.7004064285465993,0.7377542264338389,0.7804374240192554,1.5752041697496124,1.4318096528602315,0.9519896229837261,1.0143302830032006,0.974755504099903,0.972497639625493,0.9699387265544951,0.9670142544733547,1.587485608000071,1.430651055995984,0.9468515954785164,1.0098230794622094,0.9708164354590363,0.9690099225997254,0.9669625413591731,0.9646226770842562,0.5932018464120875,0.4621683784149036,0.8390208079588165,0.6394081474547293,0.6472776941242318,0.6827729402713687,0.7230008859047907,0.7689756809144159,321.371440816391,160.9357204081955,257.5998130470546,321.8259862709364,14.628453921406201,160.9357204081955,0.5,0.07995440136615795,0.0036342909711889974,-5.557857337413259,209.64086715111551,9.529130325050705,11.759871002676233,321.39353063213906,160.94603089516806,257.6129239102352,321.8467407759545,14.629397307997936,160.94603089516806,0.4985311581970677,0.07983228202851728,0.0036287400922053307,-5.561220103188358,209.60295041371913,9.527406836987232,11.759473063248125,341.2392474912361,170.22062926755993,269.63975191055334,340.51380298567597,15.477900135712543,170.22062926755993,-0.7979889561162281,0.030235645370636333,0.001374347516847106,-7.697214228734587,206.4528700411137,9.384221365505168,11.72615873903259,321.4167150599032,160.95685233017042,257.62668509376493,321.86852378757374,14.630387444889713,160.95685233017042,0.49698960043764373,0.07970411063825866,0.0036229141199208485,-5.564755059877837,209.56327515241244,9.525603416018747,11.759056590880784,362.7936677200588,180.31453959569018,283.29554734962153,360.82585996671486,16.401175453032494,180.31453959569018,-2.164588528678422,0.15041097576447304,0.006836862534748775,-4.167644564537741,471.21137991605735,21.418699087093515,13.541674922536567,323.68860163145587,162.01743500160603,258.97836281573404,324.00339106032516,14.727426866378414,162.01743500160603,0.3462683717561674,0.06714064334154024,0.0030518474246154655,-5.942124551848965,206.22786280148918,9.373993763704053,11.72375971268204,333.52841398417934,166.88630318407374,269.77341216895184,334.38492192068725,15.199314632758512,166.88630318407374,1.177698412698419,0.13972623575722776,0.006351192534419444,-4.329754505242295,250.47823893774773,11.385374497170352,12.151418501735625,0,11.89,15.995924706363354,-0.3159071637006199,0.30166332604779733,3.721740494557645,7.6351347761689485,21.0,61.0,60.0,60.0,20.0,1.0,1.0,0.0,0.0,1.0,46.602279999999986,3.5589800662029645,3.518040082931124,3.4505762299623455,3.352260620255272,3.22112524540775,3.0598165961213577,2.873583096423567,2.669284330220351,1.9567221640754673,1.910028753337441,1.8348607167032123,1.7357825694240492,1.6243963843195923,1.552307200244658,1.4612958012046837,1.3260206384176825,3.5805879125236157,3.5216136786260144,3.428390438109903,3.3161133968441674,3.213497519770471,3.0822324554158174,2.9046188640997173,2.703310446295927,1.899170332099636,1.852729611318742,1.7788995487767982,1.685974101504761,1.5953945043723425,1.5047845122462749,1.380663075228385,1.2382176918286758,3.7035114348845566,3.654883582809189,3.5813614002523484,3.493629259020886,3.387899007895004,3.2525032328693904,3.0919077717943604,2.916016749226956,1.7254318668958957,1.6704983858707048,1.582360487075697,1.4685072402012334,1.3560560979262961,1.2638540620504732,1.12042522340885,0.9477746188353625,3.6005788389304243,3.5408416796445707,3.4450430789235593,3.322777708093674,3.2096536534539166,3.1010305727406586,2.9326072973320114,2.7350460679046016,1.8629236885759932,1.8184313090325814,1.7493236380628236,1.6657227471659248,1.574648085775255,1.4634344419335275,1.3289238876586107,1.181322527859037,3.7608674872730754,3.7104826514767684,3.6316216489225157,3.536918547811061,3.4420977026532813,3.325282494192723,3.17668968950895,3.0112357964264063,1.671130560747136,1.61506480942489,1.5257894373049228,1.4142954028586034,1.3112903687399866,1.199545789512699,1.0400924218317786,0.857074717815863,5.165333264819596,3.6199031756916904,3.5805015163266782,3.507652566945336,3.4003687657460784,3.261947775666744,3.101185338720987,2.9494477216369144,1.8229455888978672,1.7652819629906036,1.6726133833641739,1.5499996356019194,1.4044099179162073,1.2458681240744633,1.1235953502572582,1.0521267703542672,0,0,1,0,0,3,16,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.08333333333333333,0.0,0.0,0.0,0.2886751345948129,0.20412414523193154,0.14433756729740646,0.05892556509887897,0.041666666666666664,0.029462782549439483,16.30527233054749,10.770055610029663,7.839376234204548,4.885027805014832,3.277459591914187,2.192513902507416,1.4619531006604563,0.9712569512537079,0.7411487422976131,0.5128597909537935,0.37330363020021656,0.257106726579728,0.18208108843967705,0.128971406029848,0.09137206879127852,0.06475046341691386,15.337311861099039,9.904030206245224,6.643344195225643,4.303216162902932,2.8660566344035816,1.901608081451466,1.2562516219051536,0.825804040725733,0.6971505391408654,0.47162048601167733,0.31634972358217345,0.22648506120541748,0.15922536857797676,0.11185929890890976,0.0785157263690721,0.05505360271504887,32.266154284551135,60.41806263656237,57.20784313725481,58.000000000000064,36.931568862275505,476.8741437125749,0.5204218432992118,0.9744848812348769,0.9227071473750776,0.935483870967743,0.5956704655205727,7.691518446977015,6.811000000000009,96.17900000000007,165.62489793018648,263.35724819315715,331.24979586037296,15.056808902744223,165.62489793018648,0.025199913626820503,0.001145450619400932,-8.098012366351064,201.16186883868434,9.143721310849289,11.669041783454517,639,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,17.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.503954934054931,-0.15188945934782927,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.576853688013851,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7594240981162006,0.0,22.555177093843362,0.0,0.0,0.0,0.0,0.0,0.0,-0.15188945934782927,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.58190237666902,4.9220525573859115,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.9220525573859115,-0.15188945934782927,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2062295502226745,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4786371775120672,0.0,0.6049382716049383,0.0,0.0,0.0,0.0,0.0,0.0,-0.15188945934782927,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.58190237666902,4.9220525573859115,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.58190237666902,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2807869206041333,0.0,1.4517287887377173,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.58190237666902,4.9220525573859115,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,41.666666666666664,1.8939393939393938,0.5559027777777779,10.58190237666902,0.13550342275364335,-0.15188945934782927,12.517082983386743,1.818556126014496,3.58190237666902,10.56948370931813,1.818556126014496,3.58190237666902,10.56948370931813,10.66666,0.48485,0.0,0.01515,0.46667,0.7697,0.42941,0.46667,0.7697,0.03726,0.0,-0.03726,0.0,0.62992,0.08437,0.0,0.125,0.04688,0.0,12.75,0.57955,11.25,0.51136,1.5,0.06818,-9.75,-0.44318,0.0,0.0,28.05621,1.27528,31.74238,3.68617,0.16755,9.65409,0.43882,10.77005,1.11596,0.05073,0.14395,0.00654,0.14395,0.00654,0.0,21.02,2,2,2,2,0,0,0.95,1.0942658959797504,1.488436249169222,2.3281843117879495,2.806853361506331,3.1739092709522763,3.4307354341167016,67.84448555074452,92.28304744849177,144.34742733085287,174.02490841339252,196.78237479904112,212.7055969152355,0.18378062108413254,0.24998105060337025,0.3910157123517271,0.4714075947764569,0.53305418657687,0.5761878270845572,4.859930414407126,4.465760061217654,3.6260119985989263,3.147342948880545,2.7802870394345995,2.5234608762701742,0.18378062108413254,0.24998105060337025,0.3910157123517271,0.4714075947764569,0.53305418657687,0.5761878270845572,9.285756372440845,14.144668824262896,16.887498222868317,18.838506258439363,20.457532243697422,21.135582680379965,82.05817974081342,68.5716537091764,63.062317684952134,56.657373288538025,50.94707364568095,47.90491203610636,22.0,19.047619047619047,21.05263157894737,22,3,18,3.44,3.000999999999998,0.04999999999999999,4.072464939444429,0.4588314677411235,0.0,29.494413321441016,1.9983159530962789,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,10.344,21.0,19.0,18.0,17.0,16.0,15.0,14.0,13.0,12.0,188.0,3.1354942159291497,3.1780538303479458,3.044522437723423,2.995732273553991,2.9444389791664403,2.8903717578961645,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,5.298317366548036,1.0585106382978724,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.0,0.8571428571428571,20.0,0.9523809523809523,2,10.0,20.0,1.0,1.5,0.44444444444444464,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.07142857142857142,0.021164021164021173,0.013157894736842105,0.00888888888888889,0.006535947712418302,0.00510204081632653,0.004166666666666667,0.0035273368606701934,0.0030769230769230774,0.0027548209366391185,0.1622965248073224,165.62489793018648,263.35724819315715,331.24979586037296,15.056808902744223,165.62489793018648,0.025199913626820503,0.001145450619400932,-8.098012366351064,201.16186883868434,9.143721310849289,11.669041783454517,26.3,369.4201459184577,5.459431618637297,4.442651256490317,5.10594547390058,5.796057750765372,6.4692503167957724,7.161622002939187,7.838737559599282,8.53168763756669,9.210840247017833,9.903937451316493,107.46072969639151,3.7612001156935624,0.0,4.844187086458591,0.0,6.042632833682381,0.0,7.293697720601438,0.0,8.574140471857987,8.90557995798965,312.3028305200011,5.037142427741953,42.661553325523045,1.939161514796502,5.2617381732711825,5.2617381732711825,0.0,1752.0,19.0,9.557000000000002,84.0,1.2437377049180327,2.145660178411058,2.872057435388414,3.6309931965721924,4.932297948969568,5.953919467738716,7.273196658454932,8.382745774662514,9.685680423373224,10.834644395928828,86.07390002839342,84.73926964909373,81.00311057196038,108.21195644455386,131.86586710277487,159.60918164943968,187.77889721548073,216.07348135852206,244.73297854582685,273.6105282209174,293.5674318515159,338.6396924288804,354.4056056226716,481.3565347710655,597.3172793257321,726.6854532439122,859.0579102716374,989.6628142918385,1121.2781880537273,1250.8932005862443,9.231162115934435,15.656465497378827,20.56772026508068,25.941274850541305,35.066779865379786,42.407256481502294,51.76208672167408,59.7421429418749,69.04776501260443,77.36083345262749,2.152107655757377,2.7334343645583585,2.992629708118862,4.060651263552596,5.126947349906118,6.235805887812709,7.413826966115209,8.540799791613418,9.701978418033779,10.817344380491363,178.63246953486438,332.1875322673988,471.58759255813925,583.1511241025166,806.5802835863021,970.6048103634746,1193.1754674297442,1374.3370380928898,1594.004437622658,1783.5507595292224,2.685325136612021,4.303766051717985,4.756960544740247,5.962592195212265,7.887603440111783,9.642484842659591,11.763890335249862,13.713219720775673,15.93907592066083,18.073831188139042,0.4588908196721308,0.5974951617586675,0.6571028259455157,0.8816481958994649,1.1192572146113768,1.3631763853314298,1.6262367132077291,1.8774434341429524,2.1398286196089944,2.3928124459640565,830.7110886611176,1225.181949273415,25.557209316765924,228.4039879108712,-336.8637387295307,-24.282017264770765,602.3071007502465,1562.0456880029458,49.83922658153669,0.7843445032902929,1.1567977610506028,0.024130719958671807,0.2156554967097065,-0.3180615083111166,-0.02292670343563019,879.8186382765203,1297.6086740193323,27.068025702492903,241.9061071455701,-356.77746443885354,-25.71745057470006,0.1751473588254177,0.21413774954711776,1.65244447251908,1.902700795841081,999.2444118318967,59.87066474009229,0.9434710485532181,0.05652895144678152,1455.1265586753648,38.14612114849116,11.331835354131789,1842.608001946871,42.9256100940554,12.2596381223801,2572.530250039405,50.72011681807727,13.702090451318334,4.705602511658781,4.705602511658781,18717.532777865195,18617.813882618768,163.05755469822543,1.0053561011983003,114.79095717157163,114.17940074641257,8.795319902632798,13.061375644960512,25.80270555592368,0.9754967820620926,11.169248195011795,17.572270688590475,7.506868592111404,83.57296547514198,32.98540727207298,1.4670654679354507,15.900802063840539,8.79186319960523,60.858136432523665,2.1278652630518575,3.44977340619657,60.05473918606595,5.181413189989001,68.76387208172254,3.2171398257452393,5.564814750192285,33.99020561271864,2.8205239094420276,64.18222453607704,2.979790074823549,6.275836211046707,24.35307163475843,3.3313076866769986,52.75051409729663,3.4516071778534636,7.707037882882769,17.011497024622564,3.1692513628468815,37.42783809216926,4.3825999593033425,0.9538651244591707,17.7226463452768,0.6154881327573709,19.237562601863218,0.4398778560255679,1.3256670948245095,3.421037169078493,0.494254006700735,15.449096954255486,0.04129294063873081,2.1206173715982266,4.147228231701721,0.3009844152849953,13.799918659328382,0.07236345503739063,2.2748931835375266,1.2817217603910738,0.3411550869552641,11.002232683936764,0.10528977847878722,2.75261228294796,0.48680469764697903,0.4547228696555084,7.8943869046019355,0.15411525264501671,3.298824034708179,0.3100856615762471,0.6052353711001375,5.050353306439829,0.20788643175390834,3.03177546098381,17.441604331260617,1.727555489926532,22.719180021660108,2.6652820447418852,1.3334381761191796,5.193883563286217,1.3573173790541806,21.069488508674883,0.22375901643146742,2.1798199160074443,13.576729424949994,0.7362751152754318,22.147950224431344,0.3638212951360383,2.5131741619320005,5.069268314725526,0.5673416730426175,19.207926138738966,0.43529004543007926,3.02867848914423,2.5877843476874247,0.7046241109904666,14.553404855155172,0.5868228974102921,3.4372532571411023,1.7352508562482845,0.8510270679819815,9.662590274912699,0.7764530707707612,10.54797428791401,17.7227701385461,7.546586187413619,77.66505732144681,30.100884802119825,1.4666683527727344,16.044367667525318,8.419377331752461,57.54541983291705,1.9140030265589822,3.3484405708525475,56.45190536143497,4.685010744376896,64.78917016793903,2.9006384168467405,5.3663040881416055,31.129866468748457,2.573761406455188,60.19840008579362,2.712986810589065,6.292970691816044,21.915408498648656,3.04799562303131,49.23062667732893,3.1646983359653533,7.872668645200864,15.28726356343418,2.941984744564865,34.79717198877092,4.0267052853723735,4.4606974654432365,17.33485409475866,2.438036593422647,27.91976284866205,5.334629404068413,1.3436766236426556,6.491225381941775,2.0875687018143396,25.842908351438126,0.4213009542055719,2.2862742898927446,20.507005751267133,1.2015024951066946,28.63906226896211,0.6679562182523515,2.8130912130993067,8.485494638890021,0.8051090931332263,25.580979465950072,0.7380582414721707,3.3660111702911677,4.851794249880342,0.9745714983432373,19.8421659125408,0.9552371530227223,3.7753076011144806,3.302639746087198,1.0982864359331452,13.409257033099744,1.2509574300268018,13.488507788954626,17.668013416668675,9.710045743824637,113.45656419561597,48.09631864043394,1.5258551940690024,19.594292099070856,12.204872385627535,77.46798168035829,3.0174879418282976,4.042532613536555,76.25058761766508,7.24748846428127,86.1859416041181,4.529772577287224,6.850929770874559,46.390873263848455,3.8605122376846333,80.79201535613339,4.070771317722694,7.346116679804474,34.50567957227451,4.556938152697924,67.20003689629758,4.610456593383895,9.192359038504447,24.19274026329833,4.216437196541427,48.18723531473634,5.814225506682587,7.299025798266703,17.596886380400047,5.888714994500602,54.77206331874533,15.76125091588542,1.6291204049546495,15.505177081489663,7.257588016573362,39.114585460281425,0.9466928556089658,3.0814650105107657,37.952638100997156,2.488560460021204,43.17193327633224,1.4579140709097012,4.703739785598528,17.884506753427605,1.5472638967815395,39.28203077604692,1.4528338125805964,6.919767827431546,10.908351521253685,1.9272703723854183,31.374528139111817,1.7689871220615416,9.507798054174632,7.518160673701584,2.148859921307971,21.82163328398734,2.2788086746710183,57.06684187357007,0.8375642559115908,0.5068296822580647,0.9769839839974854,0.014339094940758877,0.5397755135737061,0.6570547824404198,0.6128942301026942,58.41123581173972,77.14481871100826,159.7810673247963,0.9654759759962283,1.80972452611682,60.61586121645806,0.42322651717899973,0.10134712522125325,0.9914201846354017,0.006922203254785661,0.6092185672741227,0.16401315948217438,0.024506670901333724,61.14043485885831,31.840375896379125,95.58079421158713,0.9871302769531025,0.7977383976576309,57.222651811249484,0.5608111326190794,0.26383828539023546,0.985793492538915,0.009661278315147613,0.5427592379050504,0.2944297049388834,0.16608755135856385,58.0473012292588,47.33658996075453,113.8507520361376,0.9786902388083725,1.0032764942024976,57.7992696391817,0.8311380350706585,0.4909320663114492,0.9776380219530948,0.01405817321998888,0.5537326158348802,0.6473006468091917,0.5750482024989968,59.12133974056381,76.822718584632,159.5280280027344,0.9664570329296421,1.776081465143069,56.21946680824535,0.6320868901193748,0.3397273680462567,0.9830076501165073,0.011052154774875393,0.5238677561505745,0.37431598272648436,0.2753737377691864,57.19128106641098,54.849616646279095,124.11330947518056,0.974511475174761,1.1735574766462453,57.272075671167514,0.8750141515759609,0.5365654064205856,0.9759459503249376,0.01491069614118216,0.5436650620676879,0.717133303597538,0.6869209928958319,58.68365522916406,81.31359358531553,166.88662143461443,0.9639189254874063,1.947719358561058,57.91469882895379,0.8380164052078101,0.49367945852701306,0.9775227527237339,0.014144597482338055,0.5559535796992973,0.6579378190833133,0.5815024710048768,59.24639469268861,77.53847636512552,160.74484712292,0.9662841290856008,1.7953938697874874 +UMLCN0412,L,octyl laurate,CCCCCCCCCCCC(=O)OCCCCCCCC,Esters,,C20H40O2,BioCompoundML (2016),Unknown,PubChem,,84,0,-4.2620999999999984,18.165496409999985,71.02449999999999,63.475719999999946,0,0,62,22,40,0,20,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3437.8609819999974,3657.529665000004,4212.283817000012,4045.8682600000006,3877.3012590000008,3680.54453,3483.787801,3287.0310719999998,3090.274343,10146.469366152547,13120.957392536153,17464.356374770086,18289.916499526516,17322.81043809865,16316.012093143578,15309.213748188447,14302.415403233317,13295.617058278187,446.2523119999996,450.5362200000004,857.5786520000005,1171.1039200000023,1100.287500000002,1037.402600000002,974.5177000000019,911.632800000002,848.7479000000021,74.84892419395989,98.75999239999992,143.5433471035271,158.69442152512852,148.96397701833624,139.94244815893998,130.92091929954375,121.8993904401477,112.87786158075171,10303.49577437496,8867.230303381,18449.283309856288,27173.347766074112,25325.09055633084,23846.135401292257,22367.180246253676,20888.225091215096,19409.26993617651,150.27777777777777,128.0,226.08333333333334,271.1666666666667,268.9166666666667,256.6666666666667,244.41666666666669,232.16666666666669,220.91666666666669,55.44937067741931,59.9595027049181,35.69732048305095,24.66992841463415,25.34183829411765,25.55933701388889,25.80583556296296,26.087548190476188,26.41260122222222,163.65273171213786,215.09766217272383,148.00302012517022,111.52388109467388,113.22098325554674,113.3056395357193,113.40158331991442,113.51123335899459,113.6377526348563,7.197617935483865,7.385839672131154,7.267615694915258,7.140877560975624,7.191421568627463,7.2041847222222355,7.218649629629644,7.2351809523809685,7.254255555555574,1.2072407128058047,1.6190162688524576,1.2164690432502299,0.9676489117385886,0.973620764825727,0.9718225566593054,0.9697845874040278,0.9674554796837119,0.9647680476987326,166.18541571572516,145.3644312029672,156.34985855810413,165.69114491508606,165.52346768843688,165.598162508974,165.6828166389161,165.77956421599282,165.89119603569668,2.4238351254480284,2.098360655737705,1.9159604519774012,1.6534552845528456,1.7576252723311547,1.7824074074074074,1.810493827160494,1.8425925925925928,1.8881766381766383,0.3252997122612722,-0.16286696822748534,0.02247191337531726,-0.009280075368207023,-0.017214533545277508,9.773665014491276E-4,-1.6340184793172947E-4,7.635231896794232E-4,0.009710042654877724,1862.3770877419324,-20.78518206867318,-563.1033161217417,133.46423965036593,-21.181161040581014,-22.38195281997748,-23.582744599374177,-24.783536378770815,-25.984328158167397,3034.7686862162686,-155.33385656032033,-1293.0853358769998,146.81049125257374,0.1076174004783752,-0.05239795610168585,-0.21241331268220165,-0.37242866926271745,-0.5324440258425511,2.293207741935486,0.05870954422475288,0.8200721040582595,-0.020798285119663355,-0.2227336857440222,-0.23229978772113077,-0.2418658896982393,-0.2514319916753478,-0.2609980936524563,13.495788104953514,-1.0420359085323285,-5.946997236673608,0.2822636598005466,-0.02193482879452824,-0.022306430279851464,-0.0226780317651738,-0.023049633250498802,-0.023421234735823804,74.1277469034696,-6.24669301958988,-32.14370217538927,0.8462692507805882,-0.266005002958436,-0.27198360484948036,-0.27796220674053185,-0.28394080863156557,-0.2899194105226064,42.70609318996402,0.6914961267198529,11.067435541681133,-0.1490923806220349,-4.360735345126589,-4.564689559486633,-4.7686437738466765,-4.972597988206719,-4.176552202566768,0.0052467695526011646,-0.0026699502988112352,1.9043994385862086E-4,-5.658582541589648E-5,-1.1251329114560463E-4,6.787267371174497E-6,-1.2103840587535517E-6,6.059707854598597E-6,8.299181756305746E-5,30.03834012486988,-0.34074068965038,-4.77206200103171,0.8138063393314996,-0.13843896104954911,-0.1554302279165103,-0.17468699703240131,-0.19669473316484773,-0.2220882748561316,48.94788203574627,-2.546456664923284,-10.958350304042371,0.8951859222717911,7.033817024730406E-4,-3.638746951505962E-4,-0.0015734319457940862,-0.0029557830893866465,-0.0045508036396799244,0.036987221644120744,9.6245154466808E-4,0.0069497635937140635,-1.2681881170526437E-4,-0.0014557757238171385,-0.0016131929702856303,-0.0017915991829499207,-0.001995491997423395,-0.002230752937200481,0.2176740016927986,-0.017082555877579154,-0.0503982816667255,0.001721119876832601,-1.433648940818839E-4,-1.5490576583230184E-4,-1.6798542048276888E-4,-1.8293359722618098E-4,-2.0018149346857952E-4,1.1956088210237032,-0.1024048035998341,-0.2724042557236379,0.005160178358418221,-0.001738594790578013,-0.001888775033676947,-0.0020589793091891247,-0.0022534984812029014,-0.0024779436796803964,0.6888079546768391,0.01133600207737464,0.09379182662441639,-9.090998818416762E-4,-0.028501538203441756,-0.0316992330519905,-0.03532328721367908,-0.03946506339846602,-0.03569702737236554,-0.5088750843816968,0.03629660917053378,-0.010784888653598902,-0.02144429825202147,0.0012936088202710576,-2.3069129425619346E-4,0.0011549407294998131,0.01581769824861338,-0.011343525915011126,-0.1588657023388832,0.02709225396438329,-0.004608742043470313,-0.005174394699253828,-0.005815467709141869,-0.006548122577585328,-0.007393493579635458,-0.052023837580216975,-0.223877925832206,0.01828855274305931,1.4370013026495533E-5,-7.433921142591242E-6,-3.214504653429173E-5,-6.038633269623516E-5,-9.297243211374308E-5,0.02602119061357141,0.18789634054113266,-0.0034287195974186586,-0.039358882854845074,-0.04361487288251221,-0.04843832824720161,-0.0539508486639895,-0.0603114491448986,-0.07847770401946125,-0.23153101093741157,0.007906869279049697,-6.586220355530263E-4,-7.116410992017273E-4,-7.717293713368913E-4,-8.404016823486048E-4,-9.196389642851969E-4,-0.08565075951192225,-0.22783727497962097,0.0043159420269248076,-0.0014541501869226715,-0.0015797600356107623,-0.0017221178641239757,-0.0018848125252818163,-0.0020725371343101443,0.016457420388957374,0.13616542315981198,-0.001319816177599443,-0.041378061925567526,-0.04602042243670444,-0.051281764349326284,-0.0572947265351798,-0.05182435413236937,1.6073971357939434,0.9957084095858606,1.000650048404495,1.1504547383365011,1.1846696718167729,1.2475927025395874,1.3168450381054586,1.3876951443653516,1.3129330317120114,1.278777234962607,0.9389121385922983,1.0026902645732612,1.0102837309234551,1.018889659453675,1.0287250063453548,1.040073483528062,1.5006815185989322,1.403569784654188,0.9496747227550615,0.9697626373431989,0.9675235483399731,0.9649859141363168,0.9620857607607101,0.958739429942702,0.7461234186118204,0.7254928100885354,0.9431893297836167,1.1988387376494152,1.2650043174876282,1.3399919746376026,1.425692154237574,1.5245769768529251,1.5752041697496117,1.4318096528602324,0.9583817647114821,0.968361476500239,0.9657039853008498,0.9626921619415424,0.9592500781023339,0.9552784429032471,1.5874856080000712,1.4306510559959842,0.9610273381061124,0.9713157779808844,0.9695404740291889,0.9675284628839341,0.9652290215750715,0.9625758200648457,0.5951531682752851,0.5141181888660513,0.8114405391850837,1.2011980285190067,1.2713132955658173,1.3507772648855358,1.441593229822357,1.5341726115540681,304.8626217663865,152.6813108831932,238.72581840656312,305.31716722093176,13.878053055496895,152.6813108831932,0.4999999999998863,0.0665583414321736,0.0030253791560078905,-5.961288082566228,204.91676466067653,9.314398393667116,11.709728515412476,304.89505998871607,152.69679557345663,238.75190344009195,305.34827013253164,13.879466824205984,152.69679557345663,0.498531158197153,0.0664395481604017,0.0030199794618364414,-5.965218148948472,205.010255762241,9.318647989192772,11.710732013190182,333.6430218585195,166.4225164512017,262.333258701937,332.91757735295926,15.132617152407242,166.4225164512017,-0.7979889561161144,0.025353027925452964,0.0011524103602478621,-8.084685644831097,227.03011039655405,10.319550472570638,11.935181837927885,304.9291044289632,152.71304701470052,238.77928151646142,305.3809131566339,13.880950598028816,152.71304701470052,0.4969896004378427,0.06631491267266537,0.0030143142123938804,-5.969349055764876,205.10889351199475,9.323131523272489,11.711790257137222,364.1597418781636,180.9975766747426,288.1725345143147,362.19193412481957,16.463269732946344,180.9975766747426,-2.164588528678422,0.09838201257127882,0.0044719096623308556,-5.101574039553388,376.25178781463393,17.10235399157427,13.046568848980916,308.2593784448891,154.30282340832278,241.46433956375,308.5741678737586,14.026098539716298,154.30282340832278,0.34626837175645164,0.05431904284156247,0.002469047401889203,-6.408336916572825,217.9552457984261,9.907056627201186,11.845437443863442,308.40891274976696,154.33084351328515,240.984057596986,309.26542068627475,14.057519122103397,154.33084351328515,1.1776984126982484,0.12793515405030215,0.005815234275013734,-4.523709855311289,201.2072296834041,9.14578316742746,11.669537814880256,0,11.889999999999995,15.99592470636336,-0.3156921301701423,0.2615246868523944,4.347420718451988,7.593386732023867,21.0,61.0,60.0,60.0,20.0,1.0,1.0,0.0,0.0,1.0,46.602279999999986,3.589197067454673,3.5072630450735267,3.454937240162983,3.3206023505635227,3.2119272992442034,3.0422355499986513,2.8657261875405715,2.7080316313773474,1.9393914799772434,1.9129025782779525,1.8409776020696975,1.7445029220472283,1.681369518503049,1.5101052918421924,1.46078883686932,1.27589261500898,3.568046903338704,3.523942598891101,3.452444479572406,3.3154677410178257,3.23167986100359,3.0319947739485253,2.893387233281548,2.707714010531459,1.8854605250392156,1.8568643266069584,1.7893353262502176,1.6942044377173069,1.6201282244166684,1.4653813642194091,1.3799507466930847,1.2168747597457323,3.70355318181605,3.657052069189475,3.596800386257276,3.480486454601156,3.3876355012531016,3.2256026510303806,3.087771449178756,2.930806002832072,1.708025219492128,1.6726578055828438,1.5964103137976287,1.4750670207166976,1.4030459045852555,1.2092004494574287,1.1149482793745211,0.9229232305188028,3.5835792175453527,3.542250628680788,3.4650571501524077,3.3270227293656656,3.2516378260634684,3.0413001165628106,2.9214354459177803,2.723491403882658,1.8561897062752488,1.8221561661884191,1.7607345534226762,1.6643117978523598,1.5810063065988489,1.4361291989067626,1.3282903391857888,1.1789156128866995,3.7506286768120285,3.7141684571184213,3.647587414236188,3.537181156485504,3.454164840118115,3.2884182941238542,3.1734373457703144,3.0087493279057105,1.6561837144259584,1.6176167638011836,1.5442405127442322,1.418535485133862,1.34023865714259,1.1485581137060457,1.0329175047800323,0.8480676527708688,5.161751012867986,3.6011829246008484,3.5883401232274683,3.47723710076375,3.445953593953681,3.259859250117821,3.1758030232630174,2.9746133846806475,1.798270583623466,1.7612182913838186,1.670052846877666,1.5374529755711668,1.4705416338876491,1.2432476970418707,1.2018837729722993,0.9715037518341652,0,0,1,0,0,3,16,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.08333333333333333,0.08838834764831845,0.08333333333333333,16.30527233054749,10.808060412490448,7.632269453018,5.1009536313039,3.397703079917265,2.2546009608838817,1.4896357166627652,0.9793625530579064,0.7411487422976131,0.5146695434519261,0.36344140252466667,0.25504768156519503,0.1788264778903824,0.12525560893799342,0.08762563039192736,0.06121015956611915,15.337311861099039,9.964690378025045,6.566664258170045,4.245394899343333,2.720562915195881,1.7247595222876324,1.0788968506533698,0.663410797451799,0.6971505391408654,0.47450906562024026,0.31269829800809734,0.21226974496716666,0.1431875218524148,0.09581997346042402,0.06346452062666881,0.041463174840737436,32.266154284551135,60.41806263656237,57.20784313725482,58.000000000000064,36.931568862275505,476.87414371257495,0.5204218432992118,0.9744848812348769,0.9227071473750778,0.935483870967743,0.5956704655205727,7.691518446977016,6.811000000000009,96.17900000000007,158.7759015567938,248.50828715998549,317.55180311358765,14.434172868799436,158.7759015567938,0.025982656410771188,0.001181029836853236,-8.030717254272025,379.5456444426773,17.252074747394424,13.065744702591841,623,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,17.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.84474934046633,0.010651839375685146,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.524116223059571,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.485905379421476,0.0,20.325360107403174,0.0,0.0,0.0,0.0,0.0,0.0,0.010651839375685146,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.563113256708203,5.281636083758128,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.281636083758128,0.010651839375685146,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.21504972057856675,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.230401283215567,0.0,0.6167355371900826,0.0,0.0,0.0,0.0,0.0,0.0,0.010651839375685146,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.563113256708203,5.281636083758128,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.563113256708203,0.010651839375685146,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.255504096205909,0.0,1.3901491769547325,0.0,0.0,0.0,0.0,0.0,0.0,0.010651839375685146,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.563113256708203,5.281636083758128,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,41.66666666666667,1.8939393939393943,0.5559027777777779,11.563113256708203,-0.020383751572979225,0.010651839375685146,11.733232786326438,1.6560148272909816,4.563113256708203,13.661309439775616,1.6560148272909816,4.563113256708203,13.661309439775616,10.66666,0.48485,0.0,0.01515,0.46667,0.7697,0.42941,0.46667,0.7697,0.03726,0.0,-0.03726,0.0,0.62992,0.08437,0.0,0.125,0.04688,0.0,12.75,0.57955,11.25,0.51136,1.5,0.06818,-9.75,-0.44318,0.0,0.0,27.91206,1.26873,32.20868,4.29662,0.1953,9.75049,0.4432,10.80805,1.05757,0.04807,0.10595,0.00482,0.10595,0.00482,0.0,21.02,2,2,2,2,0,0,0.95,1.0942658959797504,1.5432207824897415,2.5869343639740885,3.3530873576650895,3.7479557883841257,3.8821926270395104,67.84448555074452,95.67968851436397,160.38993056639347,207.89141617523555,232.37325887981578,240.69594287644964,0.18378062108413254,0.2591820460802829,0.43447246767146,0.5631469274561459,0.6294645982440913,0.6520095113873167,4.859930414407126,4.4109755278971345,3.3672619464127873,2.6011089527217863,2.20624052200275,2.0720036833473654,0.18378062108413254,0.2591820460802829,0.43447246767146,0.5631469274561459,0.6294645982440913,0.6520095113873167,9.285756372440845,14.802083224109131,19.142682786793547,21.759080933033317,23.112085824647558,23.0014990466526,82.05817974081342,66.0779878347168,55.26443145674422,45.22195930692667,40.06608789994281,40.85015885190791,22.0,19.047619047619047,19.0,22,3,12,3.44,3.000999999999998,0.04999999999999999,4.40018158304118,0.20100756305184242,0.0,25.80689729277059,3.7468606001613822,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,10.344,21.0,20.0,19.0,18.0,17.0,16.0,15.0,14.0,13.0,196.0,3.1354942159291497,3.1780538303479458,3.1354942159291497,3.091042453358316,3.044522437723423,2.995732273553991,2.9444389791664403,2.8903717578961645,2.833213344056216,2.772588722239781,5.375278407684165,1.096938775510204,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.0,0.8571428571428571,20.0,0.9523809523809523,2,10.0,20.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407407,0.06000000000000002,0.03305785123966942,0.07142857142857142,0.03174603174603176,0.01875,0.012631578947368426,0.009259259259259262,0.0072028811524609835,0.005859375,0.0049382716049382715,0.004285714285714287,0.0025429116338207248,0.18347472933319126,158.7759015567938,248.50828715998549,317.55180311358765,14.434172868799436,158.7759015567938,0.025982656410771188,0.001181029836853236,-8.030717254272025,379.5456444426773,17.252074747394424,13.065744702591841,26.3,369.4201459184577,5.459431618637297,4.442651256490317,5.117993812416755,5.814130531825066,6.502790045915623,7.205635176410364,7.900636613018005,8.607582191143917,9.306650052113591,10.01668230030247,107.91475197963612,3.7612001156935624,0.0,4.844187086458591,0.0,6.056784013228625,0.0,7.3310603052186325,0.0,8.641709066113805,8.962519832949532,312.3028305200011,5.037142427741953,42.64831145677921,1.9385596116717823,5.494385448127748,5.494385448127748,0.0,1672.0,20.0,9.240999999999998,84.0,1.2437377049180325,2.1455950850026038,2.8685514716288045,3.6296932202737353,4.9408548757807464,5.949697093331345,7.242326564640376,8.330756356420935,9.599842406362988,10.72574466955243,86.0739000283935,84.73637570823605,84.42622689584388,116.21177777953676,147.45455779671178,179.76322369019002,212.91491124273583,247.25590550603823,278.3786268251611,316.20518800925464,293.56743185151583,338.4670888315972,352.7781275369983,482.1439493620634,616.2861386220885,749.407835962034,886.2898312338136,1021.8794092182786,1168.8759810902595,1339.0354346406689,9.231162115934435,15.658138941391197,20.54964844491377,26.307275569581673,35.74693689226493,43.17202292933631,52.59047803945185,60.67410139617068,70.05436778314596,77.84243364684129,2.152107655757377,2.7323298051481726,2.9590738435437576,3.9807452617513768,5.137565904250889,6.23180119133323,7.390028258336224,8.495210537178473,9.721095905186777,11.186708205283194,178.63246953486438,332.20875874296235,471.46864897753784,586.4341577403877,808.871108104261,971.1834939434183,1189.5045096009103,1367.6516140687152,1582.5107537730105,1750.622951846856,2.683435792349726,4.242098378838299,4.853572317503871,6.648590955216606,9.025489972121585,11.069800837754357,13.614334640454224,16.068953425186706,18.582566995919496,21.101012222391308,0.4588908196721308,0.5973197264688933,0.6552232658322891,0.8849057399094225,1.1496348262536564,1.3987303740887465,1.6680837057022153,1.9262082702336776,2.2021593330532157,2.51159997391241,810.8508889279038,1199.9760779949443,23.48272632044449,237.83448455201784,-351.9706223199999,-23.63096369735415,573.0164043758859,1551.946700314944,47.11369001779864,0.773207016549877,1.1442670111942008,0.022392537279813687,0.2267929834501229,-0.335630334150683,-0.022533892714587948,850.3274672918855,1258.3973615190998,24.625991621682115,249.41354525883753,-369.1064435216096,-24.78144599065031,0.17666731899944746,0.2132642832314899,0.8667280345581712,3.127865198709071,999.637143638519,49.04822984140281,0.9532288414792677,0.04677115852073233,1455.126558675364,38.146121148491154,11.331835354131787,1842.6080019468704,42.92561009405539,12.2596381223801,2637.1337999041593,51.35303106832312,13.815842968113385,4.9307935296615515,4.9307935296615515,16636.9907028684,16521.90478048725,178.42458183293274,1.0069656570419816,93.2438262259535,92.59881464067254,8.582165150815726,13.061375644960512,25.794137033700995,0.9748407621714166,11.169248195011788,17.57227068859046,7.392765169255901,80.04734902792092,29.798455105348918,1.7336021938405581,16.580810631997917,14.389468785350848,57.65100934292127,1.5696981208710472,7.6624979014297825,46.49484677390227,8.08118099912279,44.15327857239011,2.7078875710602155,18.53468137082308,16.492817223874926,10.836148890111467,21.73920737270161,3.776389615567365,38.086343111955486,5.14918844493168,11.624100093044962,5.238746134600113,2.776726007638175,46.61185121933385,3.5789434434948726,13.08837290734286,0.1347328565490628,0.4521516455522184,0.953865124459169,17.722646345276782,0.5961469070125615,17.645760533549392,0.2906019899135794,1.6893133979330643,2.389412076309101,0.7160500634765179,16.069284377024406,0.04812610120924389,4.869932333198877,4.524309403039017,0.649222526366794,10.807630958302992,0.11439396376913838,7.147135733236664,1.0182782972157103,1.2633731144576352,5.0916661015079345,0.2756600758059313,8.211809469650019,0.29492160881784596,2.1266929261377836,1.5558896170711978,0.12911718176286685,7.1023775351522325,0.17544890159458926,2.9148548489920136,0.003323044865026604,0.03997385084299788,3.031775460983809,17.44160433126061,1.6944480196500031,21.873869905888828,2.287251387888667,1.516772838515846,4.705453781795579,2.118914300793579,19.87345698219678,0.21044847218926452,4.735157830772916,10.302495137618445,1.3631926704527697,14.868313861316757,0.4436444706999882,8.731979684886847,2.704239835518467,2.1265996760072405,7.181089703612245,0.6740647799772614,12.851926014915344,0.8206927221906867,3.1243314878992026,2.150254204524063,0.4852757128327657,12.765188421087226,0.647922847669644,4.155305549717106,0.014555984061370883,0.10150232270757183,10.547974287914009,17.72277013854609,7.433772583172835,75.00697374482726,26.816364903637215,1.8156833114983115,16.60043400225512,13.67107001987083,56.82162586314774,1.4240980634465044,7.619594198899628,43.679815184261855,7.343737585277012,43.150372705021994,2.4783139701951047,18.167377851717017,16.185975965211984,10.101578090429454,21.19480817671262,4.014370434023136,36.399706197995144,5.1433159395861265,10.802061937240074,5.1291530582685105,2.549450945875234,44.318939786866956,3.2922007197688163,12.454256323548469,0.12143640611831089,0.47973110489681825,4.4606974654432365,17.334854094758654,2.3924640258524565,26.972788711573138,4.790366642766323,1.459922731515226,6.224129228286631,3.339586340521359,23.343930327693762,0.3659000202420085,4.87087675304408,15.118417226705079,2.0914859165346433,18.190898289570175,0.7290893893920788,10.057549076288206,4.023046380212986,2.9831638001120426,8.901839739445332,0.8984008686052669,16.45155372466696,1.2055619269583873,4.0657196594732214,2.587158378007685,0.7844824039475417,17.274036177615372,1.0382283807429686,5.183965223989447,0.02690828985704124,0.13503403196163716,13.488507788954621,17.66801341666867,9.571795879626134,108.62074034336833,43.44245377483303,1.8607915386332077,20.90117454097067,20.02129330973351,74.3093417052926,2.1683432118096153,9.013853598363989,59.90483868415685,11.13987462266977,55.758472287495586,3.6382853874807117,21.676762036501373,22.72485729933252,14.932514628483553,27.301999289122257,5.25627533016435,46.765903214595824,7.155609477089703,15.408374895903131,6.256151018766664,3.692242006476457,59.13508706398041,4.7306648493962316,16.89374495447794,0.1908677497734197,0.599926542252844,7.2990257982651805,17.549425367421946,5.773403745532069,52.61917278934708,14.064295419504933,1.9650820661156887,13.634769848549135,11.100958929560566,54.196050551328184,0.7456720887311151,6.711181156140329,31.7063280300782,3.932464521877935,40.03723445676072,1.3703773996818747,14.622772573777882,16.569735924101614,6.024803591478675,20.373030788108892,3.444750178189177,25.993085133793304,5.774747009470952,7.172875967251934,5.385510956126627,1.4368542581984,31.001324145547784,1.87737686237625,8.686451010338196,0.06128100665549636,0.4164940166657799,60.94949469020701,0.8553557272571581,0.5068296822580646,0.9781391641609533,0.013727052871761214,0.5736713135931615,0.6253968286456185,0.6128942301026938,62.31168009972223,83.45803205578889,172.19251706946753,0.9672087462414298,1.8119623723414737,52.83368532002692,0.47684132941732926,0.10134712522125335,0.9891749078664072,0.008927627804802949,0.4310780399832924,0.19422592851663134,0.02450667090133377,53.41187377466551,30.59615336597066,86.5612941245256,0.9837623617996109,0.6498106394012575,57.67793694646764,0.5869032461818335,0.26383828539023546,0.9854645354432311,0.010027618279507933,0.5137416750680592,0.2944261592567336,0.1660875513585638,58.52867847803971,49.22386396191768,116.68382944383781,0.9781968031648466,0.9742553856833567,60.15108385099801,0.8530978385957475,0.49093206631144914,0.9781441187304392,0.013872611765253085,0.5587414514462554,0.6220949308166301,0.5750482024989965,61.495113755905216,81.26366859298932,167.95084332263295,0.9672161780956589,1.755884584761882,59.47177484426378,0.6505271649917255,0.33972736804625664,0.9836218773462185,0.010759267786600989,0.5461916537497475,0.3617369995876742,0.2753737377691862,60.46202937730176,59.113196508951674,132.71860002923842,0.975432816019328,1.183302391106608,61.168398276513486,0.8929587608545013,0.5365654064205856,0.9771633927857788,0.014264990370189311,0.5777994683246237,0.6815927331409262,0.6869209928958316,62.59792244378857,87.92083439021852,179.82641923817465,0.9657450891786682,1.9463131943613816,60.35619202017887,0.8617735637145678,0.4936794585270129,0.9780357010202881,0.013964521009319823,0.5625589485114589,0.6348075145995716,0.5815024710048764,61.71164504242044,82.23542279105212,169.62500051161504,0.9670535515304322,1.778868934115907 +UMLCN0413,L,octyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCCCC,Esters,,C22H44O2,BioCompoundML (2016),Unknown,PubChem,,71,0,-4.838100000000001,23.407211610000008,76.8477,69.66289199999994,0,0,68,24,44,0,22,0,2,0,0,0.0,0.0,0.0,0.0,0.0,3730.453479999997,3994.4862590000043,4599.700891000011,4439.381718000031,4270.81471700003,4074.0579880000014,3877.301259000001,3680.544530000001,3483.787801000001,11117.83814737493,14426.937661516888,19291.450598094754,20303.51318943674,19336.407128008832,18329.60878305372,17322.81043809865,16316.012093143578,15309.21374818845,488.2071999999995,494.08778000000046,943.0376680000005,1296.8737200000028,1226.0573000000024,1163.1724000000022,1100.2875000000022,1037.402600000002,974.5177000000019,82.20517581335578,108.79196963999988,158.91872739322525,176.73747924392072,167.00703473712863,157.9855058777325,148.96397701833624,139.94244815893998,130.92091929954373,11296.755094651957,9733.309206412598,20297.68770778796,30131.258076151273,28283.000866408,26804.04571136942,25325.09055633084,23846.135401292264,22367.180246253683,158.77777777777777,138.5,244.58333333333334,295.6666666666667,293.4166666666667,281.1666666666667,268.9166666666667,256.6666666666667,245.41666666666669,54.859609999999954,59.619197895522454,35.382314546153935,24.39220724175841,24.97552466081889,25.14850609876544,25.341838294117654,25.559337013888896,25.80583556296297,163.4976198143372,215.32742778383414,148.3957738314981,111.55776477712494,113.07840425736158,113.14573322872668,113.22098325554674,113.3056395357193,113.40158331991444,7.179517647058816,7.374444477611947,7.254135907692311,7.125679780219795,7.169925730994167,7.18007654320989,7.191421568627465,7.2041847222222355,7.218649629629644,1.2088996443140556,1.6237607408955206,1.2224517491786557,0.9710850507907731,0.9766493259481207,0.9752191720847685,0.973620764825727,0.9718225566593054,0.9697845874040276,166.12875139194054,145.27327173750146,156.13605929067663,165.55636305577622,165.3976658854269,165.45707229240384,165.52346768843688,165.59816250897404,165.68281663891617,2.3349673202614376,2.0671641791044775,1.8814102564102564,1.6245421245421245,1.7158869395711502,1.73559670781893,1.7576252723311547,1.7824074074074074,1.8179012345679013,0.33378538616210013,-0.1628669682274851,0.018229076424948188,-0.009280075364131349,-0.017214533301682218,9.77376240122215E-4,-1.6313916297496585E-4,7.682965613608122E-4,0.009767123375185274,2024.5283261176514,-21.106973968852884,-645.6575054013797,134.00067268512035,-18.95802226643583,-19.956258339100724,-20.95449441176562,-21.95273048443006,-22.950966557094272,3335.035835038237,-155.63528334395826,-1444.5363051657534,146.36488461012075,0.14532350925691873,0.01230036247961408,-0.12072278429678107,-0.25374593107363097,-0.38676907785048087,2.3306437647058758,0.06091017301036222,0.8102198615916781,-0.006996429065739242,-0.2002588788927392,-0.20821132179931534,-0.21616376470589138,-0.22411620761246742,-0.23206865051904335,14.837913026831519,-1.0407784301547445,-6.612636662463375,0.28514378894959647,-0.01988978671536068,-0.020198704559126535,-0.02050762240289683,-0.02081654024666535,-0.021125458090432092,81.42059787353165,-6.234129318107801,-35.73610386987348,0.8772718196173983,-0.24077038916377802,-0.24574048987077646,-0.2507105905777749,-0.25568069128477333,-0.26065079199176466,43.16339869281034,0.7573048827374083,10.976835832372176,0.08554402153018242,-3.9158016147635393,-4.085351787773921,-4.254901960784303,-4.424452133794685,-3.594002306805067,0.004908608620030884,-0.0024308502720520164,1.4022366480729374E-4,-5.098942507764477E-5,-1.006697853899545E-4,6.03318666742108E-6,-1.0662690390520645E-6,5.335392787227863E-6,7.234906203840944E-5,29.77247538408311,-0.3150294622216848,-4.966596195395228,0.7362674323358261,-0.11086562728909842,-0.12318677987099212,-0.13695747981546155,-0.15244951725298653,-0.1700071596821798,49.04464463291525,-2.3229146767754965,-11.111817732044257,0.8042026626929711,8.498450833737938E-4,7.59281634544079E-5,-7.890378058613142E-4,-0.0017621245213446596,-0.0028649561322257842,0.03427417301038053,9.091070598561526E-4,0.00623246047378214,-3.844191794362221E-5,-0.0011711045549282993,-0.0012852550728352798,-0.0014128350634371985,-0.001556362552864357,-0.0017190270408818026,0.21820460333575764,-0.015534006420220067,-0.05086643586510289,0.001566724115107673,-1.1631454219509169E-4,-1.2468336147608973E-4,-1.3403674773135183E-4,-1.4455930726850938E-4,-1.5648487474394143E-4,1.197361733434289,-0.09304670624041493,-0.2748931066913345,0.004820174833062628,-0.0014080139717180002,-0.0015169166041405955,-0.001638631310965849,-0.0017755603561442593,-0.0019307466073464048,0.6347558631295638,0.011303057951304601,0.0844371987105552,4.7002209631968363E-4,-0.022899424647739995,-0.0252182209121847,-0.02780981673715231,-0.03072536204024087,-0.026622239309667162,-0.49522185617575715,0.02856688639527579,-0.010387755273371938,-0.0205088230051882,0.0012291032213896736,-2.1722429339769925E-4,0.0010869460574744892,0.014739219937635653,-0.010581231763822538,-0.16681838279562264,0.02472980237073091,-0.0037237624973692697,-0.004137606238037229,-0.004600137477607302,-0.0051204851221235284,-0.0057102124525751944,-0.047363268592561535,-0.22656536335848584,0.016397359359257097,1.7327989421365665E-5,1.5481438192224225E-6,-1.6088154206581172E-5,-3.592898948567461E-5,-5.8415269468647166E-5,0.026524551287665316,0.18184130866978268,-0.0011216001603300365,-0.034168718077416775,-0.037499229301492354,-0.04122156537545915,-0.0454091934586718,-0.05015517195297945,-0.07119009490518148,-0.23311348655112124,0.007180069032260103,-5.330526506634473E-4,-5.714057337472202E-4,-6.142709442527464E-4,-6.62494306071407E-4,-7.171474494658286E-4,-0.07770977110946842,-0.22958233841571202,0.004025663004309766,-0.001175930324480569,-0.001266882481528581,-0.0013685348923469474,-0.0014828938545176096,-0.0016125006783109825,0.017806937450843944,0.13302310953734384,7.404769670063601E-4,-0.036075956092532946,-0.039729008232945236,-0.04381183121340603,-0.04840500706642442,-0.041940911232249835,1.6046668273082745,1.0067652506762768,0.9932736484241617,1.1317420526245063,1.1587560022236112,1.211753830840435,1.2688792908982867,1.3251486147641482,1.327375062789729,1.2960746750753849,0.9428991472854877,1.0001856308285764,1.0062876223640156,1.0131074952565653,1.0207798522606835,1.0294751901986843,1.5005764120818161,1.4124967040635021,0.9546990017155202,0.9730184209139835,0.9712385675976569,0.9692493197735275,0.9670114159713817,0.9644751249956166,0.754490251418544,0.7326567988889943,0.9334938712112589,1.1751751130672041,1.2320456580916266,1.2956068554718636,1.3671132025246302,1.4481537291844324,1.568378937428464,1.4381874391010614,0.962621337214358,0.9718753997778778,0.9697639292183605,0.9674040503577235,0.9647491866395069,0.9617403410921952,1.579582563854358,1.4369856275433415,0.9648352213705347,0.9742866512449232,0.9728747412962165,0.9712967242947206,0.9695214551680374,0.9675094834911304,0.6004315566323456,0.5190720658808196,0.803128390386115,1.1770404964561647,1.237640767660456,1.3053704825358403,1.3815664117706477,1.45642371626624,366.5136846942606,183.5068423471302,287.9501395554582,366.97201802759383,15.29050075114974,183.5068423471302,0.49999999999982947,0.09057922542879154,0.0037741343928663143,-5.763672941110582,231.42997123563515,9.642915468151465,13.066265586484478,366.5480871581722,183.52330915818467,287.977012041487,367.00507405318626,15.291878085549424,183.52330915818467,0.49853115819712457,0.09044665741127672,0.0037686107254698634,-5.767188055014953,231.52934242762336,9.647055934484307,13.067295875140072,397.03719308112306,198.11960206250336,312.316531042369,396.30570320468314,16.512737633528463,198.11960206250336,-0.7979889561163702,0.01589648453074405,6.623535221143353E-4,-9.939977502953315,241.68421480355744,10.070175616814893,13.17031674367346,366.58419310145064,183.54059135094417,288.00521669980014,367.03976690185186,15.293323620910492,183.54059135094417,0.496989600437729,0.09030755641243865,0.003762814850518277,-5.770881938062567,231.63418236862,9.651424265359166,13.068382384976095,429.4047160205922,213.6200637459568,339.1165295690287,427.4205098693035,17.809187911220977,213.6200637459568,-2.164588528678621,0.10651388218302488,0.004438078424292703,-5.374751887658363,323.6377257593179,13.48490523997158,13.871099423629753,370.11612529328056,185.23119683251855,290.7718337375736,370.43353796739075,15.434730748641279,185.23119683251855,0.34626837175656533,0.07685506291048133,0.0032022942879367223,-6.158001433787745,245.26711447755736,10.219463103231556,13.205634911551616,371.2074758189075,185.72322170368022,291.5853441084021,372.09086326479473,15.503785969366447,185.72322170368022,1.1778499278496213,0.1605741173059424,0.006690588221080933,-4.389599167046661,225.30999584091856,9.387916493371607,13.00194531181901,0,11.890000000000002,15.99592571775816,-0.31569851437483143,0.2615320582082913,4.347880630978009,7.618341227616191,23.0,67.0,66.0,66.0,22.0,1.0,1.0,0.0,0.0,1.0,50.975107999999985,3.58984613141751,3.520297701183202,3.4676059429001627,3.3715513007568383,3.2443654128385555,3.1426843606214483,2.9446097768449517,2.831180359031731,1.9469735688624676,1.913402165628793,1.870536521928788,1.76024598383712,1.7310421450221216,1.5937743039456047,1.4867522367940142,1.404326025057083,3.5746326190054942,3.528141153707579,3.4812142232590553,3.3588313074991887,3.271562637896725,3.1391948226770854,2.9538119174155026,2.8513054673382148,1.8915623053226363,1.8591005556985885,1.814906118240826,1.717516337051784,1.6629998220482263,1.5405288145485319,1.4236200624983397,1.3313849770556745,3.706487771783141,3.664860482238399,3.616233974261422,3.5199968398193544,3.4242992202504223,3.313230880982705,3.1516397997532004,3.0476186043133233,1.7159587689835372,1.674307541888881,1.6280890044455862,1.5060505524822787,1.4488491006138138,1.3077336028135569,1.156870843489394,1.0650110382695788,3.591650216309116,3.544598159251075,3.497786596678639,3.3672069799770377,3.2946831177777565,3.151832191958521,2.971773868245583,2.8760342862275072,1.8600510221563162,1.8272268104770442,1.7813699350729901,1.6935489622083868,1.6193779202541696,1.5092331439909403,1.3815491005561813,1.2848003788313762,3.7558786322789763,3.718484649859883,3.672013508675079,3.5702292375882205,3.4943794689080296,3.3736513837516005,3.2278252861856243,3.129017002377692,1.6633128713134657,1.6204870846674868,1.573930728894336,1.454792221219507,1.3828050934964613,1.2480507991862446,1.0844104485490393,0.9870537482790593,5.174870093413281,3.607464875995125,3.598519666950435,3.5106882851492007,3.4614438897002717,3.346523231182907,3.1959716613361526,3.1183386150345327,1.8061986035458675,1.758433207794059,1.7086155095675348,1.5602820771488635,1.5284560878430988,1.361906946256424,1.2154187275137838,1.1373623257641472,0,0,1,0,0,3,18,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.08333333333333333,0.08838834764831845,0.08333333333333333,17.71948589292058,11.808060412490448,8.339376234204547,5.6009536313039,3.751256470510539,2.5046009608838813,1.6664124119594022,1.1043625530579066,0.7383119122050242,0.5133939309778456,0.3625815754001977,0.2545888014229046,0.17863126050050188,0.12523004804419408,0.0877059164189159,0.0613534751698837,16.751525423472135,10.964690378025045,7.273771039356593,4.745394899343333,3.074116305789155,1.9747595222876324,1.2556735459500068,0.7884107974517991,0.6979802259780056,0.47672566860978455,0.31625091475463446,0.2156997681519697,0.14638649075186452,0.09873797611438162,0.06608808136578984,0.043800599858433285,35.34980989212292,66.19373634377287,62.65882352941166,63.52000000000008,40.52867784431144,522.9306538922156,0.5198501454723958,0.9734372991731304,0.9214532871972303,0.9341176470588247,0.5960099682986977,7.690156674885523,7.5912000000000095,105.41300000000008,189.94392090288596,298.01884153654726,379.8878418057719,15.8286600752405,189.94392090288596,0.04366566279797668,0.0018194026165823617,-7.514863761774402,406.1628218406007,16.92345091002503,14.416209883736013,753,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,19.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.917820695240984,0.013409574619684062,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.948350615041216,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.5008551433235375,0.0,23.23458125348246,0.0,0.0,0.0,0.0,0.0,0.0,0.013409574619684062,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.616355283301878,5.301465411939105,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.301465411939105,0.013409574619684062,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.21127551020408164,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2325681279148792,0.0,0.6179091887133845,0.0,0.0,0.0,0.0,0.0,0.0,0.013409574619684062,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.616355283301878,5.301465411939105,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.616355283301878,0.013409574619684062,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2682870154086583,0.0,1.4149648207077066,0.0,0.0,0.0,0.0,0.0,0.0,0.013409574619684062,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.616355283301878,5.301465411939105,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,44.66666666666667,1.8611111111111114,0.5559027777777779,11.616355283301878,-0.029930236833749957,0.013409574619684062,13.141546836072937,1.6532570920469827,4.6163552833018775,13.837351677129039,1.6532570920469827,4.6163552833018775,13.837351677129039,11.66666,0.48611,0.0,0.01389,0.46373,0.76389,0.42973,0.46373,0.76389,0.034,0.0,-0.034,0.0,0.63636,0.07793,0.0,0.11429,0.04286,0.0,13.75,0.57292,12.25,0.51042,1.5,0.0625,-10.75,-0.44792,0.0,0.0,31.59043,1.31627,36.00217,4.41175,0.18382,10.75049,0.44794,11.80805,1.05757,0.04407,0.10595,0.00441,0.10595,0.00441,0.0,23.02,2,2,2,2,0,0,0.9545454545454546,1.0827203878670804,1.5036119659371505,2.490562430328682,3.230837360530102,3.6551489228150595,3.867924285158475,73.62498637496147,102.24561368372623,169.35824526235038,219.69694051604694,248.55012675142405,263.0188513907763,0.17786069765063142,0.24700141999196412,0.4091297959885585,0.5307362763082594,0.6004388064674094,0.6353918514209803,5.00474245338326,4.583850875313189,3.596900410921658,2.856625480720238,2.4323139184352804,2.219538556091865,0.17786069765063142,0.24700141999196412,0.4091297959885585,0.5307362763082594,0.6004388064674094,0.6353918514209803,9.123484061109917,14.291680486774286,18.419309950798436,21.036696951882792,22.662137914208326,22.991841473450144,89.80102835834022,73.71972487899072,62.75665689557885,52.13320271154674,45.2606595866236,43.97842720396161,24.0,21.043478260869566,21.0,24,3,14,3.6599999999999997,3.2827999999999964,0.045454545454545456,4.475639230288462,0.1849000654084097,0.0,29.97248500896321,3.797501409369876,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,11.341999999999999,23.0,22.0,21.0,20.0,19.0,18.0,17.0,16.0,15.0,218.0,3.2188758248682006,3.258096538021482,3.2188758248682006,3.1780538303479458,3.1354942159291497,3.091042453358316,3.044522437723423,2.995732273553991,2.9444389791664403,2.8903717578961645,5.472270673671475,1.0871559633027523,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.0,0.8695652173913043,22.0,0.9565217391304348,2,11.0,22.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407407,0.06000000000000002,0.03305785123966942,0.06521739130434782,0.028985507246376826,0.017045454545454544,0.011428571428571434,0.008333333333333335,0.006444683136412459,0.005208333333333333,0.004357298474945533,0.003750000000000001,0.002203856749311295,0.16875760930675712,189.94392090288596,298.01884153654726,379.8878418057719,15.8286600752405,189.94392090288596,0.04366566279797668,0.0018194026165823617,-7.514863761774402,406.1628218406007,16.92345091002503,14.416209883736013,26.3,404.0121151701916,5.584962500721157,4.532599493153256,5.209486152841421,5.905361848054571,6.594413459749778,7.29641326877392,7.991253929840199,8.697011617992073,9.395574350217172,10.104180975012746,112.72629509563512,3.8501476017100584,0.0,4.9344739331306915,0.0,6.1463292576688975,0.0,7.418780882750794,0.0,8.726967774991493,9.048644632975885,340.33413064800123,5.004913686000018,46.64830154696862,1.9436792311236923,5.494558081619248,5.494558081619248,0.0,2183.0,22.0,10.379,92.0,1.2442686567164174,2.1470112170951348,2.8694626438057895,3.629256404879435,4.943159236732878,5.953809930860207,7.250234302653819,8.342386754703991,9.617486838330018,10.748818512764075,85.72891298617917,84.07603647858885,83.7272939082537,114.84344476263209,145.52771259779107,177.05044625780656,209.28300956052044,242.37919485081667,272.596432873697,308.30115289783015,294.15601853361886,339.5860678292956,353.2824343830055,482.24898763188895,616.4249912428944,749.6811233383207,886.6330068781658,1022.3898999854767,1168.1662593244787,1333.2696184911922,9.220253708537323,15.637552794986368,20.511865978616207,26.227051824227406,35.64306723788362,43.038394942417725,52.419137515991,60.45629285895922,69.77906832025056,77.59193845198226,2.1601650099898513,2.74763249771916,2.9718153609541917,3.997037888722707,5.161948217686567,6.266465638113942,7.437498444816716,8.559183901182779,9.792842994747236,11.226188463774744,178.57459451783131,331.9685335095271,471.21395550374245,585.7504034983588,808.430472827806,970.7056020798974,1189.2952082770717,1367.5456467788056,1582.7326779608154,1753.7091684946802,2.6450907960199,4.164442226005683,4.770694659784564,6.499709781336531,8.796704387571356,10.762489575621462,13.187177861010241,15.496256155818008,17.857489352278723,20.180988772356844,0.4593163432835817,0.5985475173695924,0.6554241745231452,0.8841923723156062,1.14865318832147,1.3976616416046164,1.666659706819689,1.9245580827976243,2.19924434292828,2.500945950553279,882.0097296775803,1399.1018019662065,25.548877744219403,228.9943782552818,-363.2459330966942,-22.02354215814679,653.0153514222984,1762.3477350629007,47.57241990236619,0.7938852101264057,1.2593128972037553,0.022996204570076454,0.2061147898735941,-0.3269528262794192,-0.019823096963272134,979.9164329085452,1554.4078494007254,28.38490812690224,254.41369493514978,-403.567723860333,-24.46824580893366,0.16482074379214384,0.19896366790182932,0.9330102224628691,1.9038631480662591,1066.2988272295052,44.70528070335706,0.9597613722720288,0.04023862772797109,1579.2896969676642,39.74027801824824,11.645387226168129,2005.5192845663212,44.78302451338365,12.61078962539855,2873.7726344100984,53.607580008895184,14.217311153579201,5.194382602772382,5.194382602772382,21940.331773411366,21818.530730106737,191.79816892745293,1.0055824585445876,114.39281144394151,113.75776344538268,9.126816891580606,14.314947604404614,28.275074521346326,0.9752132737563269,12.28485040875604,19.46930530401038,7.98543018217636,89.99310455614814,33.74815440271421,1.733633474975284,18.169436781286517,14.665523730961986,66.37980642227228,1.6313216245033881,7.66331005639732,55.59329916419586,8.302258168988518,56.08335179588957,2.7080239324573068,18.538762410094478,22.58960733504077,10.836170865799328,35.3617174108343,3.7763908476090835,38.098514988906004,10.379746037183287,11.688892325067368,19.536583378257557,3.0306999069037373,46.72998424507229,6.155143538726066,14.282930515162509,4.196888328525265,3.593348675684215,1.0474898877164553,19.619596749990027,0.6403807712283778,19.672545732000504,0.3187346781820439,1.6893444230828356,2.634530210556696,0.7179950520021146,18.227188685051384,0.04856017525389243,4.870744485270392,5.149035842954891,0.6507795921115832,13.10690288614538,0.11439492472924782,7.151213709732743,1.222234900363991,1.2633732730117027,7.3135811309220635,0.2756600845068273,8.22385414895635,0.36838610228751323,2.1271492750318144,3.5617966186685925,0.13090594067145933,7.102906026415131,0.2276123775306304,2.853216820129209,1.1958828253575542,0.1691898737313834,3.3340076096715885,19.338560520590864,1.8408673331957637,24.436279814070154,2.5779453233085414,1.5168038807710147,5.224780222867749,2.1391769980083266,22.862672005289838,0.21497142915921474,4.7359699834355675,12.385606489073643,1.37941848500303,18.64280375032767,0.4436544802817891,8.736058286417405,3.5594548919306166,2.126601292428473,11.160640259948913,0.6740648704624098,12.8639965916237,1.2968878068106187,3.1290868823233087,5.960941118801767,0.5039159600376074,12.780978492825772,0.8877237399332227,4.183949546575,1.7341486709341416,0.633381619269223,11.601011774449155,19.61979556408302,7.989409901453727,84.08558223749226,30.335692512597216,1.8157145645281245,18.10680082678432,13.917030495790037,64.96775467822978,1.4790035333839098,7.620406353689879,52.16354113118719,7.540713363582815,54.31728515145235,2.4784354661272356,18.171458703436816,21.72687517077578,10.101597670788205,33.917922701461364,4.01437153176624,36.41187026452499,9.828232018301158,10.85979065081148,18.42534147587908,2.7757371176701704,44.30409445232585,5.681752389668659,13.232293303645573,4.073144317948453,3.300676622740437,4.906132044432351,19.231817641304072,2.6119287017805917,30.223801854127416,5.421018475173814,1.459953795948464,6.931700078738966,3.3835978774112716,27.05522838655804,0.37572435264065174,4.871688906112529,18.283213700090247,2.12673055256779,23.123758423734596,0.729111130174615,10.06162810692788,5.4891097721655076,2.9831673067319024,14.257039107838906,0.8984010650933585,16.463642098830302,2.1512001872134534,4.076048997506541,7.845881010882503,0.8249715117841407,17.33400487659048,1.4828640196549288,5.395120479739965,2.11685948421872,1.0217374482332438,14.835759026867365,19.565086639033158,10.30547855229951,122.21128454687835,49.20169275499671,1.8608229379453105,22.79438212398079,20.423891185802454,85.40033106950845,2.258215122070927,9.014665753987963,71.38831428020639,11.462294897201907,70.71126209171761,3.6384842559519233,21.68084377024941,31.10142333979198,14.93254667620653,44.48330794661274,5.256277126904983,46.77810403666933,14.667497939489227,15.502868271429104,24.545529209267727,4.062639069787285,59.26325348571381,8.46119232580066,18.58506401612041,4.96007613129651,4.771275759364448,8.042768246455484,19.439128902003244,6.166644256537002,58.13263891064809,15.798942865368769,1.978554098808008,14.753943805096043,11.291356944799603,59.80139937114329,0.7763230676976315,6.7578495000455,37.173986886741346,4.05102711220822,47.51911054460667,1.3798085911759366,14.726611961090116,19.63716628417122,6.066027952502737,28.593681869498575,3.4683159770821206,26.18221351228174,8.079267474704357,7.2488086318085125,13.642635202519882,1.5519838821521283,30.327782509932273,3.589490914039227,8.391737007489473,4.094596161388096,1.877800611284964,72.48050902181137,0.8560452094629873,0.510688592647059,0.9814924193531661,0.011592107934267895,0.5689492644003845,0.6338971235318585,0.6176387628729139,73.84724282392142,99.4987341975147,205.03246403788148,0.9722386290297491,1.8204851508051567,64.08113106946846,0.4665278305071574,0.10277586935218705,0.9911941241866259,0.007216159213340555,0.444746676128098,0.18789841562951695,0.02501523277040737,64.6504347693278,36.52957281237734,104.25255705314142,0.9867911862799388,0.6576603245280224,69.04098491179727,0.5841027715371041,0.26613946440373576,0.9878347788322049,0.008357311716711035,0.5162373890063873,0.29509693456557545,0.1677416023947452,69.8912271477381,58.857014181737924,139.48085566410236,0.9817521682483074,0.979075925966708,71.68014300700891,0.852930870007917,0.4952022830509215,0.9815395731085873,0.01167946054400096,0.5564558010599973,0.629292122025722,0.5807477111784228,73.02827616006773,97.0567505178599,200.360806235858,0.9723093596628808,1.766495634264142,70.87803463961224,0.6500023007390006,0.3421190004036747,0.9861956428484653,0.009044119805094345,0.5440703241174382,0.3654752887102647,0.27718940052136865,71.87015594075491,70.54198608647661,158.17386735217556,0.9792934642726979,1.1867350133490715,72.72254510676215,0.8938434950758101,0.5407464576548615,0.9806547279424997,0.012053371457226885,0.5727554308387912,0.6911119245907721,0.6924837659229072,74.15713505949283,104.81037525082415,214.11742187926188,0.9709820919137497,1.9563511213524705,71.89371454631426,0.8612137914915259,0.4979405372982327,0.9814457187866988,0.011756724408430933,0.5597775278645895,0.6415643649028958,0.5871880350483928,73.25286887510401,98.14348659646218,202.22677131478093,0.9721685781800482,1.788529927815878 +UMLCN0414,L,octyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCCC,Esters,Olefins,C26H50O2,NREL (2014),Blend,PubChem,,131,0,-3.859100000000005,14.892652810000039,96.0699,80.70364999999993,0,0,78,28,50,0,26,0,2,0,0,0.0,0.0,0.0,0.0,0.0,4313.606348000019,4644.185271000002,5324.074559000009,5170.8678340000315,5001.284769000028,4804.528040000027,4607.771311000026,4411.014582000025,4214.25785300003,12998.408220957836,16809.424966737322,22424.52509040016,23654.173892758645,22655.98408689981,21649.18574194469,20642.387396989572,19635.589052034447,18628.790707079326,558.6800479999996,566.9556360000003,1072.0482440000005,1472.9135440000032,1395.3786600000028,1332.493760000003,1269.6088600000028,1206.7239600000028,1143.8390600000027,96.02845324244971,126.62883549999984,184.32608492292343,205.25712710756196,195.08206969592086,186.06054083652475,177.0390119771287,168.01748311773258,158.9959542583365,12913.43843115745,11159.221917049992,23012.171008751262,34140.164941284296,32106.99007951677,30628.034924478172,29149.079769439588,27670.124614401007,26191.16945936243,177.27777777777777,160.75,279.5833333333333,338.66666666666663,335.41666666666663,323.16666666666663,310.91666666666663,298.66666666666663,287.75,55.30264548717974,60.31409442857146,35.97347675000006,24.98003784541078,25.647614200000145,25.83079591397864,26.032606276836304,26.25603917857158,26.504766371069373,166.64625924304917,218.30422034723796,151.51706142162269,114.27137146260215,116.18453377897339,116.39347173088542,116.62365761011058,116.87850626210981,117.16220570490142,7.162564717948713,7.363060207792211,7.24356921621622,7.115524367149773,7.1557880000000145,7.163944946236575,7.172931412429394,7.182880714285731,7.193956352201275,1.2311340159288424,1.644530331168829,1.2454465197494826,0.9915803241911205,1.0004208702354915,1.0003254883684127,1.0002204066504445,1.0001040661769796,0.9999745550838773,165.55690296355706,144.92495996168822,155.48764195102203,164.92833304968258,164.65123117700907,164.66685443267835,164.68406649400896,164.7031227047679,164.7243362224052,2.272792022792023,2.0876623376623376,1.8890765765765765,1.6360708534621575,1.72008547008547,1.7374551971326162,1.7565913370998114,1.7777777777777775,1.809748427672956,0.3614113070664797,-0.16274758117321095,0.003920325624619898,-0.009576850207522046,-0.016673884455554726,0.0016973294195047292,0.0021840309919524533,0.002573602518183145,-0.010683602078704866,2316.4850677948675,-20.595304592368116,-777.539754867187,140.19832357002082,-31.87740053845984,-33.20716433135932,-34.53692812425926,-35.86669191715875,-37.19645571005846,3882.0730072134693,-152.7604238387282,-1681.7757993230948,170.4355420347604,-7.948841589457967,-8.442612359542633,-8.936383129627526,-9.430153899712874,-9.92392466979788,2.3908631794871757,0.06280522024980555,0.7874726337935285,-0.0019857199210989527,-0.19404646153847055,-0.20072009467456725,-0.20739372781066387,-0.2140673609467606,-0.22074099408285733,17.29945784087951,-1.0201876436098483,-7.644122792284177,0.4376142104276362,0.0036747355834743367,0.0035665643831803984,0.00345839318288646,0.0033502219825960744,0.0032420507823048006,94.82169438049512,-6.107662989802283,-41.28601008310583,1.7869933838740026,-0.0024199738652268543,-0.002422248625262302,-0.0024245233853119608,-0.002426798145354514,-0.002429072905411278,44.763532763532616,0.9029512747461467,10.087570311929301,-0.47287968441815664,-4.558404558404543,-4.726714880561019,-4.8950252027174965,-5.063335524873972,-3.898312513697128,0.004633478295724099,-0.0021136049503014407,2.648868665283715E-5,-4.626497684793259E-5,-8.550709977207552E-5,9.125426986584565E-6,1.233915814662403E-5,1.5319062608233007E-5,-6.719246590380419E-5,29.69852651019061,-0.26747148821257294,-5.253646992345858,0.6772865872947865,-0.16347384891517866,-0.17853314156644798,-0.19512388770767944,-0.21349221379261157,-0.23393997301923558,49.770166759147045,-1.9839016082951715,-11.363349995426317,0.8233601064481179,-0.04076329020234855,-0.0453903890297991,-0.0504880402803815,-0.05613186845067187,-0.06241462056476654,0.030652092044707382,8.156522110364357E-4,0.005320761039145463,-9.592849860381414E-6,-9.95110059171644E-4,-0.0010791402939492863,-0.0011717159763314344,-0.0012742104818259559,-0.0013883081388858952,0.22178792103691677,-0.013249190176751276,-0.05164947832624444,0.002114078311244619,1.8844797863970958E-5,1.9175077328926874E-5,1.9538944536081695E-5,1.9941797515452824E-5,2.039025649248302E-5,1.2156627484678861,-0.07932029856886082,-0.2789595275885529,0.008632818279584554,-1.241012238577874E-5,-1.30228420713027E-5,-1.3697872233400908E-5,-1.4445227055681631E-5,-1.527718808434766E-5,0.5738914456863156,0.011726639931768139,0.06815925886438717,-0.0022844429198944764,-0.02337643363284381,-0.025412445594414083,-0.027655509619872863,-0.030138901933773644,-0.024517688765390743,-0.45615945848973405,0.005716803870060563,-0.00998493440459777,-0.01845419236148874,0.001969454997772572,0.0026630443392841496,0.0033061690657685524,-0.014501517351621404,-0.00900622083458565,-0.17689924752809358,0.022805393629962943,-0.0055044430860596745,-0.006011515133762174,-0.006570153830383657,-0.007188646673071637,-0.007877157573422456,-0.0398612610220069,-0.22831649430505266,0.016543245885283196,-8.190306132509962E-4,-9.119999386270289E-4,-0.0010144237716684468,-0.0011278215868214996,-0.001254056890482402,0.026610001361302586,0.17358557554195342,-3.1295905827210207E-4,-0.032464670200005714,-0.03520608943674429,-0.03822629707043933,-0.04157009837917313,-0.045292443232291896,-0.059738105280070404,-0.23287777839644994,0.009531981279055902,8.496764736269938E-5,8.645681531833813E-5,8.809742408302489E-5,8.991381235830917E-5,9.193582949492118E-5,-0.06524860506651957,-0.22947114891866913,0.007101326655328211,-1.0208524034662871E-5,-1.0712545142734314E-5,-1.1267822634743473E-5,-1.1882594143718822E-5,-1.2566962427368674E-5,0.020433550665220797,0.1187668144850559,-0.003980618524749948,-0.04073319755600815,-0.044280927665724994,-0.04818944388829441,-0.052516729706139104,-0.04272182300272849,1.5698909929939908,1.0384406095795171,1.0034349828178293,1.1339342574095839,1.1555990149200166,1.19854055532048,1.2473537505709171,1.3250897273373108,1.316868596914321,1.306607231042364,0.9493215068270785,1.0047749295091408,1.010121716004422,1.0160122434992231,1.0225338989398958,1.0297938549964936,1.4630993124728997,1.4059873838298027,0.9581741052765858,0.9798281972047209,0.9792247335894605,0.9785599007929874,0.977823835911178,0.9770044429295409,0.7652449607728846,0.7519382321233649,0.9416345208138255,1.1780206749490256,1.226808813934101,1.2805584585786756,1.3400669937208833,1.4063123441622087,1.519743760934438,1.4268463561450668,0.9641253244690501,0.9779287618853678,0.9770801420350501,0.9761452218609712,0.9751101316682411,0.9739578614536925,1.5293050367048038,1.4255701863863355,0.9658158131463864,0.9797198340350215,0.9793900525386421,0.9790267339409359,0.9786244883506182,0.9781767055236609,0.6180626272912444,0.5546580423983064,0.8240655162490065,1.1879327902240364,1.2407893494185704,1.299021151921023,1.3634920761201672,1.4208368558582836,494.74531164582936,247.62265582291437,389.99631202744143,495.2095973601145,17.68605704857552,247.62265582291437,0.4999999999993463,0.07201740658037076,0.0025720502350132413,-7.366372807147614,1164.7534539666326,41.59833764166545,19.768741205099854,494.78315704930014,247.64084410374855,390.02468828339227,495.24607883905446,17.687359958537655,247.64084410374855,0.49853115819695404,0.07188017890800791,0.002567149246714568,-7.371713238646765,1273.4156091007062,45.479128896453794,20.018482470901827,528.3336980433646,263.76785454362425,415.7321270329435,527.5927082983997,18.842596724942855,263.76785454362425,-0.7979889561161144,0.04282778499238099,0.0015295637497278925,-8.821590973879417,303.2088780722291,10.82888850257961,16.000381416825096,494.82287644149204,247.65993302096476,390.0544712169886,495.28436678475543,17.68872738516984,247.65993302096476,0.4969896004374732,0.07173617448511321,0.0025620062316111863,-7.377328372434949,1437.8490860223335,51.351753072226195,20.358530039793038,563.9727309986725,280.9040712349972,444.12858931628216,561.9627559363287,20.07009842629745,280.9040712349972,-2.1645885286781095,0.14900373881123574,0.005321562100401277,-5.3305948658441835,329.4423258409411,11.765797351462183,16.232723649066365,498.70841984427693,249.52734410801642,392.9757298277848,499.02995476090734,17.822498384318116,249.52734410801642,0.3462683717558832,0.0577402490405467,0.0020621517514480964,-7.985042216534228,410.55580056075866,14.662707162884237,16.84903318787065,506.7937721481613,253.48600830586878,398.92571045069957,507.6094184066648,18.128907800238032,253.48600830586878,1.0380952380954227,0.08758407807113378,0.003128002788254778,-6.8184369532677085,510.434712266676,18.229811152381284,17.458735671005673,0,11.89,15.995927743602664,-0.3157114833030021,0.2615469049295078,4.348682594471867,7.804800493988816,27.0,77.0,75.0,75.0,25.0,2.0,2.0,0.0,0.0,2.0,57.53434999999998,3.59689943039091,3.560013907744746,3.483111432577868,3.4422231944954595,3.3332102918788435,3.226898306182326,3.1377182893555826,2.963746212795892,1.9469049389076372,1.914812579328697,1.9029199346817047,1.8148425436571587,1.7459184443170925,1.7071212469667718,1.576449763357169,1.4884396368583521,3.6043485113484444,3.5398944406045016,3.5106922270861496,3.446077494623451,3.3258889283386157,3.2544868442038117,3.1421815301410603,2.9683655267941815,1.893682121060785,1.8632748328530548,1.8432115910436482,1.7656217566874985,1.6956511841870483,1.6412786449412449,1.5240570199042662,1.426190787371481,3.716670801752985,3.6804625386851133,3.638085914209565,3.5815574160389008,3.485454826975752,3.4054252215436764,3.304823754762574,3.1606658357438473,1.7322442306488899,1.679284105770889,1.661988079807067,1.583181317294915,1.480247332545767,1.4297649966833266,1.3034927583409797,1.163587367947439,3.6212924053526394,3.5524992926291086,3.531654657823912,3.459677644254422,3.3361108345408668,3.277845018214321,3.1562651227298786,2.9840345665340515,1.8624660479282218,1.8346895064870525,1.8049468513468672,1.7390972077922546,1.6644998415328158,1.5988441837683158,1.493367780185126,1.3844627205289317,3.7660955230522855,3.7270532573710136,3.698732758985826,3.6306530456414974,3.541014478931842,3.4747003806488905,3.3640176788004195,3.2341458482563534,1.6838683916032195,1.6282906095691518,1.605257853921059,1.5334466414963361,1.425423331466893,1.3644474137973652,1.2460539721149158,1.0938406375801226,5.101271598464107,3.712750269396695,3.5821253469765684,3.541299368040133,3.4766354453043076,3.4339540417443395,3.304681852675394,3.181965986272758,1.8037753041327345,1.7770315166769792,1.76918530044003,1.628872234930112,1.554615242593796,1.5271342312126,1.3400976749614535,1.2355041390055275,0,0,1,2,0,3,20,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.08333333333333333,0.08838834764831845,0.08333333333333333,20.547913017666765,13.808060412490448,9.753589796577641,6.6009536313039,4.458363251697087,3.0046009608838813,2.019965802552676,1.3543625530579064,0.7338540363452416,0.5114096449070537,0.36124406653991264,0.2538828319732269,0.17833453006788347,0.12519170670349505,0.0878246001109859,0.06156193422990484,19.320439524224476,12.614520292286103,8.322525829337248,5.403643189807196,3.4806425705817254,2.22055033418623,1.4000111132474131,0.8696395367344313,0.6900156972937312,0.4672044552698557,0.30824169738286106,0.20783243037719987,0.13922570282326902,0.09252293059109291,0.06087004840206144,0.03952906985156506,40.97529330348061,75.85724690458864,71.83529411764692,72.80000000000004,46.92434131736534,598.7581137724545,0.5253242731215463,0.972528806469085,0.9209653092006016,0.9333333333333338,0.6015941194534018,7.676386074005827,8.853790000000002,123.5170000000001,260.85486748628836,411.01126930674866,521.7097349725766,18.63249053473488,260.85486748628836,0.06174599082826754,0.002205213958152412,-7.797233448031554,850.299979689895,30.367856417496252,18.887649772616623,1049,0.0,0.0,2.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,23.0,3.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,21.0,0.0,2.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.00040279728329,4.747096755703005,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.49859237860876243,0.0,0.0,6.768515576779986,1.149423368788899,0.0,0.49859237860876243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.505516278847289,0.0,25.41365083483308,0.0,4.741369323089542,0.0,0.0,0.0,0.0,0.005727432613462646,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.680786515142094,5.319616282141195,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.319616282141195,0.005727432613462646,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24817118184994374,0.0,0.0,0.21259071167196744,0.30796889348025713,0.0,0.24817118184994374,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.23299275659718,0.0,0.6051523252826401,0.0,2.366729622943268,0.0,0.0,0.0,0.0,0.005727432613462646,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.680786515142094,5.319616282141195,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.680786515142094,2.3746397001462745,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2504211967588187,0.0,0.0,0.5597050045913683,0.5194926697530864,0.0,0.2504211967588187,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2725235222501095,0.0,1.4137513581821617,0.0,2.3746397001462745,0.0,0.0,0.0,0.0,0.005727432613462646,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.680786515142094,5.319616282141195,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,51.66666666666667,1.8452380952380953,0.5597050045913683,11.680786515142094,-0.038587081599306794,0.005727432613462646,15.522538577318148,1.660939234053204,4.680786515142094,15.49457679844024,1.660939234053204,4.680786515142094,15.49457679844024,13.66666,0.4881,0.0,0.0119,0.46325,0.75476,0.43023,0.45917,0.75476,0.03302,0.00408,-0.02893,0.0,0.64669,0.0676,0.0,0.09756,0.03659,0.0,16.75,0.59821,14.25,0.50893,2.5,0.08929,-11.75,-0.41964,0.0,0.0,37.40875,1.33603,43.8041,6.39535,0.22841,12.20759,0.43599,13.80805,1.60046,0.05716,0.10595,0.00378,0.10595,0.00378,0.0,27.02,2,2,2,2,0,0,0.8846153846153846,1.0750914219339838,1.8197617594002644,2.9674288609348234,3.8816640958459057,4.343631553395566,4.403187553309256,83.85713091085073,141.94141723322062,231.45945115291622,302.7697994759806,338.8032611648542,343.448629158122,0.17104576358020113,0.2895219265267113,0.47211439421166784,0.6175681301981251,0.6910666019686849,0.7005418905564167,5.210310796928265,4.4656404594619845,3.3179733579274253,2.403738123016343,1.9417706654666826,1.8822146655529925,0.17054708354900724,0.2886778319386337,0.47073795543934965,0.6157676243686595,0.6890518130173923,0.6984994766168777,8.92199643635707,16.253218978918053,21.275887899593076,24.51466814383485,25.664408128159295,25.16072887526784,105.14879290573604,78.58584504698368,60.99776795236696,45.09369959134629,39.72854230032317,41.67407645465939,28.0,25.037037037037038,25.0,28,3,18,4.1000000000000005,3.803399999999994,0.038461538461538464,4.591203925892189,0.16169041669088866,0.0,0.0,3.822349895808642,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.446,0.43,0.658,0.21600000000000003,13.277999999999999,27.0,26.0,25.0,24.0,23.0,22.0,21.0,20.0,19.0,262.0,3.4011973816621555,3.4657359027997265,3.4657359027997265,3.4657359027997265,3.4657359027997265,3.4657359027997265,3.4657359027997265,3.4657359027997265,3.4657359027997265,3.4965075614664802,5.823045895483019,1.286259541984733,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.0,0.8518518518518519,25.0,0.9259259259259259,2,13.0,26.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.1666666666666667,0.12244897959183672,0.09375,0.07407407407407407,0.06000000000000002,0.03305785123966942,0.05555555555555555,0.02469135802469137,0.014423076923076924,0.009600000000000004,0.006944444444444447,0.005323868677905944,0.004261363636363636,0.003527336860670194,0.003000000000000001,0.0017398869073510222,0.1449739693405013,260.85486748628836,411.01126930674866,521.7097349725766,18.63249053473488,260.85486748628836,0.06174599082826754,0.002205213958152412,-7.797233448031554,850.299979689895,30.367856417496252,18.887649772616623,26.3,470.559594972859,5.807354922057604,4.6913478822291435,5.3706380281276624,6.066108090103747,6.755768921984255,7.456454555176209,8.151044945685024,8.854950316500325,9.55272367519805,10.259096928959389,122.15813334396383,4.007333185232471,0.0,5.093750200806762,0.0,6.304448802421981,0.0,7.5740450053721995,0.0,8.878358040627822,9.201400530406708,394.3810808400014,5.056167703076941,54.64829845015281,1.9517249446483145,5.494612029585342,5.494612029585342,0.0,3501.0,26.0,12.139000000000008,108.0,1.2355043683591167,2.1424696825351526,2.8868477264337313,3.664214750196554,4.998012749215238,6.024684838756944,7.341469886640387,8.452424760797648,9.748843740680977,10.900439749989468,86.67339846118632,86.2298671977337,86.97490161063921,119.66599992856506,151.71183174510134,184.58617651893016,218.24839715728888,252.73689399425362,284.93783695551036,319.11295733388243,297.13616491544263,348.24277007898445,365.82328523359644,501.9498414878801,642.6653910081036,783.040078404,927.7451496363957,1071.9846203646343,1225.8850650292463,1394.9401076029253,9.14583806170649,15.589437309423152,20.61556509436155,26.440250210181535,35.96681783089301,43.44703439434231,52.92725097060909,61.046442256511504,70.45225638717869,78.02831477479286,2.177256421222635,2.80611846304669,3.0630796556619915,4.144342323725953,5.362838491725951,6.525359370160366,7.761407656695801,8.955041681087502,10.258019078700627,11.777019539061516,176.7858250609814,329.53933701266874,471.97472700758544,588.1963961206804,813.1255178265369,976.7131032264504,1197.2619755864755,1376.9174928593532,1593.651272419816,1764.7004528704379,2.666363282858578,4.184998198546918,4.856306282151375,6.627307690706286,8.938819985886742,10.93032299291995,13.35505364082783,15.673042850317078,18.21370712476375,19.679158030804548,0.4610885204569579,0.6080406619981726,0.6715559754983865,0.9103792244488212,1.1839754021438647,1.4427020764354552,1.7222443688793214,1.9914900474381987,2.2778188845005256,2.5828344384504307,963.7393752081172,1758.895338244173,28.911751479386492,199.20191062928075,-363.55815792989824,-21.97537056476571,764.5374645788364,2122.453496174071,50.88712204415221,0.8287085400998196,1.5124541192788137,0.024860886642757752,0.17129145990018027,-0.31261952977111074,-0.01889637149560988,1120.7723082166585,2045.4920063110837,33.62266944124902,231.6601260884822,-422.79679165967167,-25.556065701341943,0.1432542169093189,0.1729295948004386,0.7568655255279824,2.0684321804988612,1113.686545366407,49.25474047099112,0.9576464082315865,0.04235359176841358,1837.902819364401,42.87076882170882,12.249194048021426,2337.206964431449,48.34466841784571,13.270859682605158,3329.449265643187,57.70138010172016,14.93221154039005,5.988585808173958,5.988585808173958,36350.76689581302,36226.26402949084,196.99505045356636,1.0034368122040083,184.5262955191925,183.89428539489992,10.080775321289794,17.06543710076012,34.07287044174588,0.9966010973271946,19.824452438040893,22.898577768789757,10.052940023036552,105.31196498916323,51.8759872072518,1.6950455262221362,24.033224621703567,14.19192884749261,80.83145463462422,1.0984707843456214,3.422810952902882,64.21086639224833,4.256107044904944,88.99853575116639,0.025421932463096573,5.442185301791436,46.252606023281906,0.2452674403929508,84.22931133594416,1.0787281093022869E-4,2.4522437373020893,34.2720368385336,1.5996329897524202,80.59382720451795,0.00311140513716618,5.463951172379563,19.34439530505442,3.6295747271207945,63.08031603986626,4.282326059915662E-4,1.6710188739378726,23.16059804064582,0.8632860817984801,24.629588440690753,0.4278123393399325,0.2398649870071934,4.2217031120739374,0.24484025227848571,23.323226172390264,0.0077523047241598525,0.6573459235978821,7.107404332318793,0.07609575621144794,20.95607441639351,1.8023167623872782E-4,1.1642431688129855,3.3817842896202057,0.018298738159314428,16.734698134649772,1.3505532032428213E-6,1.7006385696023363,1.0055471967337568,0.13593260956383038,10.56143823619524,2.3769907314053864E-4,2.6906208799311653,0.3089139462384252,0.15348459796123942,8.02511373053975,3.5470992881749234E-5,5.373316780816179,22.637214549260275,2.6129534194912756,29.331093827035737,3.8906639496808433,0.5279849338334247,7.889954544840432,1.2231965667769011,29.226316260633194,0.08066145921308011,0.9746567865177845,16.215738911005538,0.3892583805481593,28.9837705088291,0.001868860300251214,1.570658293328827,7.815563625073395,0.06044286680447872,24.4354053883696,9.136742167791291E-6,1.7601702359108489,3.856286104884261,0.42167495737258043,19.792718436318687,7.827533945509852E-4,2.962517911279305,1.7748057134779627,0.5934044695013014,15.160362533173865,1.1481280355464249E-4,18.714922392629376,23.177466926065655,9.817553692014943,97.47323489158806,46.395100401063246,1.608833835747288,23.792581485153484,13.074674117420471,78.48466556204676,0.9787284440141096,3.1789285161220366,61.215541890951805,3.9054767286726997,86.99620924978561,0.022651297661406583,5.033195958077245,43.12984577752369,0.2299495800513796,81.5899835002611,9.710652293600274E-5,2.4931907018832615,31.58127336208667,1.5421702295254862,75.42929252082615,0.0029207869126453454,5.288104266045748,17.49584973133922,3.3213897547690157,58.91359662454345,4.038946751729228E-4,7.9159315104758905,22.43955889266452,3.7573375094494095,35.98274519926479,8.31803270843363,0.7287272115458505,10.259362808111321,2.349967822996074,34.568959162748286,0.17516916636642688,1.266535417189945,23.128173196584434,0.7401694650103826,35.63931736341827,0.004056507165454041,1.989150581736696,12.050626641251487,0.09060152984514336,31.103107349274516,1.845033389985199E-5,1.8105255956443345,6.812506935134304,0.6123786712670831,27.496326187443483,0.001169247303646508,3.2398835724873436,3.455962035471787,0.9754527473571516,21.178225714577653,1.695246782360756E-4,23.94090526274849,23.0859365964736,12.447240554362578,142.80270816273259,75.62285010299341,2.0323134795725033,29.34983559869621,20.647771403050953,102.75571695147667,1.601965809096298,4.455996797259987,80.55508773835163,6.152713921102443,113.10148314706503,0.03707164874043598,7.187520503289489,62.753756002957374,0.3038913743360347,108.31087852008932,1.5608433162061497E-4,2.752591894224063,48.65888135598523,1.9631699506511273,104.88602846415823,0.0038338606121956845,6.477365005806377,27.843711571958575,4.878953876864846,82.40475263453176,5.186780818885368E-4,12.561563218346071,22.924484883367352,7.2536491674697166,62.05051227601475,21.82896312865661,1.0636110316037473,19.19897044519313,8.456881139352866,66.03976042295265,0.43821286144204724,1.9116275915868564,45.52878830114911,2.4085689572062887,75.73693467093001,0.01014373742656904,2.9725816680342647,29.811157141029405,0.14103982767215784,68.34915292873733,4.63023259780998E-5,2.3655698678678507,20.177237514074896,1.349258313282653,48.71162379277742,0.0018009155860579356,4.524623034800022,9.208533361408126,1.7776338440055077,37.996355612202734,2.5501473990585064E-4,102.15583457772448,0.8541374525790774,0.46108547701723607,0.9872889776012653,0.008254844138600259,0.5686368135951171,0.6818610606748093,0.589700895696515,103.4710575073208,134.75152640343188,278.4546545264911,0.9809334664018979,1.8401987699664413,91.86527086842744,0.4096604415582346,0.09185167053143263,0.9945704278539673,0.004435148960905612,0.45985186654455207,0.156536234917085,0.0234014635487154,92.3667829805171,46.109174016822195,141.93266303364248,0.991855641780951,0.6397895650103524,97.46148401955858,0.5587185954135206,0.23778544459119083,0.9918937477172657,0.005686240950454119,0.5175776416111515,0.29172857797193674,0.15683371670213392,98.2579880595633,77.76132091604481,188.96756901641166,0.9878406215758985,0.9661399362852221,101.3112280792875,0.8460038554453141,0.4475210145015779,0.987393129141036,0.0082452696500706,0.5592734714365432,0.6689117439326193,0.5555149714327366,102.6047529492344,131.4271976290814,272.38883780057427,0.9810896937115542,1.783700186801899,99.62640250660175,0.6361902832698564,0.3060218399384419,0.9906311514116353,0.006325932654155107,0.5408259371724171,0.3782809142449235,0.25976087877227144,100.56861462981004,94.06389235438697,214.02858409390308,0.9859467271174529,1.178867730189612,102.57106314676216,0.8942448894734666,0.4890996459144841,0.9866927765139344,0.00860227968599177,0.5732688712065808,0.7474001270121662,0.6635346360297169,103.9544076821501,142.32849455180818,291.14490649497617,0.9800391647709017,1.984203634248464,101.4999131905791,0.8517242239879127,0.4497909906178523,0.9873395220786628,0.008285139975204425,0.5613589992796265,0.6779552629892244,0.5611647791368829,102.80142840518486,132.48677918114382,274.1726093975589,0.9810092831179942,1.8004790414057337 +UMLCN0415,L,octyl valerate,CCCCCCCCOC(=O)CCCC,Esters,,C13H26O2,BioCompoundML (2016),Unknown,PubChem,,49,0,-2.2461,5.044965210000001,50.6433,41.82061799999997,0,0,41,15,26,0,13,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2413.7872389999975,2478.1815860000015,2856.324058000001,2668.571156999998,2500.004155999998,2303.247426999997,1908.7557849999966,1679.8367999999969,1489.1764549999968,6746.6786318741815,8550.026451103575,11069.52659313377,11242.328084840723,10275.222023412805,9268.423678457673,8296.279619859803,7495.417550728184,6675.121672358644,299.4102040000001,298.10576000000015,558.4720960000005,730.9096200000013,660.0932000000007,597.2083000000002,534.4191879999998,477.16929599999986,454.59517999999974,49.102043526074056,63.64807206000002,89.72951608958388,95.54371950935575,85.81327500256381,76.79174614316788,69.17429175607398,64.29032815007409,57.93647671977209,6827.088153405475,5835.9541427704025,11979.867917095382,16820.661680804053,14972.404471060767,13493.44931602217,11988.257657300275,10903.480188746276,10534.030945853174,120.52777777777777,91.25,161.33333333333334,185.41666666666669,183.25,174.33333333333337,153.58333333333334,122.33333333333334,117.08333333333333,58.87285948780482,61.95453965000004,37.583211289473695,26.421496603960378,27.777823955555537,28.43515341975305,26.51049701388884,25.45207272727268,23.637721507936458,164.55313736278492,213.75066127758936,145.65166569912856,111.31017905782895,114.16913359347562,114.42498368466264,115.22610583138615,113.56693258679067,105.95431225966101,7.302687902439026,7.452644000000004,7.348317052631586,7.2367289108911015,7.334368888888897,7.3729419753086445,7.42248872222222,7.229837818181816,7.215796507936504,1.1976108177091234,1.5912018015000005,1.1806515274945248,0.9459774208847105,0.9534808333618201,0.948046248681085,0.9607540521676943,0.9740958810617286,0.919626614599557,166.51434520501158,145.89885356926007,157.62984101441293,166.54120476043616,166.36004967845295,166.58579402496505,166.50357857361493,165.2042452840345,167.20684041036785,2.93970189701897,2.28125,2.1228070175438596,1.835808580858086,2.036111111111111,2.1522633744855972,2.133101851851852,1.8535353535353536,1.8584656084656084,0.2955903059305858,-0.16292456632877728,0.03690555053359236,-0.010572937590742439,-0.013762171912129037,0.031318885221081734,-0.04125963145454081,0.003581643808657416,0.015548680226239554,1293.1654389756102,-18.95825139084024,-270.160765027961,129.44760598691258,-35.44026848304594,-38.186159976204806,-296.1909168352178,-98.10131879000585,6.004424842356048,1983.6094831360215,-153.58957869931274,-759.8912248811221,149.2768905801785,-0.29170129702414016,-0.6576138673361882,-128.08997479389546,-152.4023885714613,9.662149374702075,2.148779512195123,0.04560828078524977,0.8388602212968485,-0.1081077739440815,-0.363984295062461,-0.3858594265318235,-0.7266122165377713,-0.1543531659726356,-0.11546490898274897,8.797830263100238,-1.0493481150969015,-3.629574561044432,0.26526550678481536,-0.034225080479851414,-0.035074834263066915,0.3734917249404481,-0.6763312971930249,-0.044657055029694095,48.594392461270914,-6.319828068364122,-19.691852233119928,0.6618086552496827,-0.41923055499602735,-0.43290202773199904,3.3808520785528864,-3.7311944529605507,-0.45565987338462277,40.81978319783198,0.3025150373454926,11.167393747108191,-1.6644523762310885,-7.090174499305984,-3.5260757485623753,-11.795310331152105,-3.120464009518149,-1.6539758080507674,0.007209519656843555,-0.0040731141582194316,4.8559934912621527E-4,-1.0468255040339048E-4,-1.529130212458782E-4,3.86652903963972E-4,-5.730504368686224E-4,5.4267330434203275E-5,2.468044480355485E-4,31.54062046281976,-0.473956284771006,-3.554746908262645,1.2816594652169562,-0.3937807609227327,-0.4714340737803062,-4.11376273382247,-1.4863836180303915,0.09530833083104838,48.38071910087857,-3.8397394674828185,-9.998568748435817,1.4779890156453317,-0.0032411255224904464,-0.008118689720199855,-1.7790274276929925,-2.3091270995675957,0.15336745039209643,0.052409256395003,0.0011402070196312442,0.011037634490748006,-0.0010703739994463515,-0.004044269945138456,-0.004763696623849673,-0.01009183634080238,-0.002338684332918721,-0.0018327763330595074,0.2145812259292741,-0.02623370287742254,-0.047757560013742525,0.0026263911562853007,-3.8027867199834906E-4,-4.330226452230483E-4,0.005187385068617334,-0.010247443896864014,-7.088421433284777E-4,1.1852290844212419,-0.15799570170910304,-0.2591033188568412,0.006552560943066165,-0.004658117277733637,-0.005344469478172828,0.046956278868790086,-0.056533249287281075,-0.00723269640293052,0.9956044682398044,0.007562875933637315,0.1469393914093183,-0.01647972649733751,-0.07877971665895538,-0.043531799364967594,-0.1638237545993348,-0.047279757719971956,-0.026253584254774084,-0.5649633196232531,0.06735529858293202,-0.014520045077347386,-0.02120987645837504,0.05363088282822644,-0.07948524508490115,0.007527176985042356,0.03423313338237065,-0.015026853556343573,-0.11270377234503037,0.04063520141361147,-0.012484876807890427,-0.014946886486777743,-0.13042745112360088,-0.047126010719495764,0.003021764614408848,-0.07936507639492879,-0.20666432691064004,0.030549132859385136,-6.699209070729974E-5,-1.6780837224166894E-4,-0.03677141350428349,-0.04772825089170001,0.003170011798962933,0.02175583280628187,0.2106046765395511,-0.02042337695805215,-0.07716709267266116,-0.09089418456820295,-0.19255828139863845,-0.04462349771369213,-0.03497047008730799,-0.1222553499907264,-0.2225616887354507,0.012239612971318183,-0.0017721898565519838,-0.002017989427303265,0.024174459094231732,-0.04775554735735161,-0.003303374469312203,-0.13330393574188554,-0.21861032796319177,0.005528518519494347,-0.003930140880746474,-0.004509229100450721,0.03961789284956609,-0.047698162347143865,-0.006102361558619962,0.007596265560165905,0.14758811967678517,-0.016552483464114136,-0.07912752420470279,-0.043723989549715826,-0.1645470262793916,-0.04748849490758212,-0.026369492195218395,1.6183705153531824,0.9576890010790257,1.054956269628206,1.2740558516829057,1.3250953609250982,1.4165761020474799,0.9273058388613807,0.9309035500979737,1.2355065213199956,1.1851939382851016,0.9206827631026772,1.0272298328897982,1.0489023899220955,1.1917121209768287,1.0124502843199867,0.9417797998210643,1.5014696248801545,1.3499907248844576,0.9177509058301394,0.9477341301588658,0.9409452627566324,0.9777084222787396,1.0244950877640655,0.9291614343082164,0.7190146737864572,0.7069599481985547,1.010578555280044,1.3575615496558926,1.4975010176291377,1.75392846691165,0.9624000242039111,0.9942134056569519,1.6155860340533894,1.393271229684449,0.9310915065375757,0.9441309966928227,0.9360521185434875,0.9113078059607977,1.025041017077105,0.9285895083612276,1.6341050586623616,1.3929584384234415,0.937161176767738,0.9517058180402733,0.9463389129659512,0.9073318100786891,1.0238933168729452,0.9297918609560607,0.5797842323651452,0.5024939943219042,0.8699593278829956,1.361903181189488,1.4562655601659749,1.7330013831258642,0.9625952470765747,0.9851017585457418,135.82579609266057,68.16289804633031,107.02084347587495,136.25912942599393,9.08394196173293,68.16289804633031,0.5000000000000568,0.1368505537760069,0.009123370251733794,-2.9832986953686413,102.87701912532262,6.858467941688175,6.95030142867337,135.84916814536803,68.17384965178272,107.03951111631872,136.2812284824725,9.08541523216483,68.17384965178272,0.4985311581973946,0.13672324215689646,0.009114882810459765,-2.984694789916367,102.81656237196476,6.854437491464318,6.949419678917369,156.60832720820446,77.9051691260442,124.01680476769431,155.91673677957056,10.394449118638036,77.9051691260442,-0.7979889561160434,0.043784253228161485,0.0029189502152107655,-4.6927215623694725,191.70777932757989,12.78051862183866,7.883958344950157,135.8736976497292,68.18534362508353,107.05910451036432,136.3044219701087,9.086961464673912,68.18534362508353,0.4969896004378569,0.13658968895064588,0.009105979263376392,-2.9861607273274413,102.7535632408955,6.850237549393033,6.948500297277839,178.70893929406236,88.27217538269204,142.70274158417308,176.83296256920784,11.788864171280522,88.27217538269204,-2.164588528678294,0.02274784619027098,0.0015165230793513988,-5.674927216533099,79.64989792297774,5.309993194865183,6.566461132178386,138.27395981207061,69.31011409191365,108.98256209802705,138.57405906759305,9.238270604506205,69.31011409191365,0.346268371756679,0.12382938733386528,0.008255292488924352,-3.133275854109522,98.35379989451265,6.55691999296751,6.882856770802791,136.94957456680837,68.64232421313015,107.98572429749619,137.69078066248045,9.179385377498695,68.64232421313015,1.1768009768008199,0.22146016616791575,0.01476401107786105,-2.261268813574809,101.72692369306647,6.7817949128710975,6.93343800664452,0,11.889999999999999,15.99592117447449,-0.3156690643369141,0.2614995165998565,4.269443361305728,7.391691927550593,14.0,40.0,39.0,39.0,13.0,1.0,1.0,0.0,0.0,1.0,31.29738199999999,3.57449864061675,3.4669340290596162,3.269116330246114,3.1117806849991716,2.851473473942319,2.5043668652107365,2.35794575713495,1.9844170016946776,1.9138023568536084,1.840993510681739,1.739324527103983,1.512087452769031,1.4374210697798042,1.1919676383505091,0.993867675605763,0.9047594501430524,3.5330796963513285,3.4648768924875983,3.284740337034547,3.065160369734714,2.873689362944325,2.5096823599914173,2.3423096539168884,2.01548202968336,1.861642175921292,1.7977995687823491,1.6791355325108652,1.4859292817520848,1.362551317988362,1.1138253092849288,0.9487197204946807,0.7887685904053238,3.6813772974784524,3.611037877386398,3.445695904733503,3.2726857936496505,3.0721668662275654,2.7732568856041726,2.6233078859054175,2.342192044618592,1.6757298634275979,1.6010743999578343,1.4594712240907703,1.22316576247064,1.0933077161662856,0.7777408050659902,0.5949892133895037,0.38122732546698,3.5466642642205466,3.472242500829388,3.304825542964485,3.060928590143817,2.9000120975446424,2.534269968131788,2.355497842245681,2.0611576792238098,1.835799317758032,1.7733252149714918,1.6408165156084957,1.4708140681509185,1.3135444985905331,1.0639507840726585,0.9143801454169281,0.713644063393739,3.7245001271526337,3.6597448700050363,3.512085457291904,3.321253704464296,3.156181456010367,2.86913694379214,2.7112817668665605,2.4761413898312985,1.6234615364423697,1.55347211556661,1.3956282646095437,1.1732914576223832,1.0128114842985045,0.6828372011735937,0.512024796124828,0.24869361042591298,5.086121386924676,3.5778266485677466,3.45733891248749,3.4130693174697164,3.161312493610983,2.8820898005799735,2.744754962739532,2.362311834618254,1.7791258549692657,1.6570540441958246,1.5511923798780243,1.242285998746645,1.1427963316583232,0.8839993831735669,0.6077285566824852,0.5469895836485481,0,0,1,0,0,3,9,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4505237851453038,0.08333333333333333,0.08838834764831845,0.09196278254943947,11.355524862241651,7.308060412490448,5.157395718865082,3.3509536313039003,2.1468294860719683,1.4528242655872443,0.7945759751233814,0.49935006017765643,0.7570349908161101,0.5220043151778891,0.368385408490363,0.2577656639464539,0.17890245717266404,0.13207493323520403,0.08828621945815349,0.062418757522207054,10.387564392793204,6.464690378025045,4.091790524017128,2.4953948993433324,1.4616794387126963,0.8768699740241176,0.480621320895024,0.27735059518770716,0.6925042928528803,0.46176359843036036,0.29227075171550915,0.19195345379564094,0.12180661989272469,0.07971545218401069,0.053402368988336,0.034668824398463395,21.473359658050043,40.203204661325586,38.12941176470587,38.68,24.341687425149725,315.6763580838324,0.5237404794646352,0.9805659673494045,0.9299856527977042,0.9434146341463414,0.5936996932963348,7.699423367898351,4.080300000000005,63.860000000000056,72.77835289945413,114.35725334881427,145.55670579890827,9.703780386593884,72.77835289945413,0.08350486496382825,0.00556699099758855,-3.7242755786740394,96.26951112967485,6.41796740864499,6.850727498489948,273,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.226601902736917,-0.02277019295372429,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.919888795317638,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.30210234833216,0.0,10.660732608551317,0.0,0.0,0.0,0.0,0.0,0.0,-0.02277019295372429,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.114905946576673,5.111695956160242,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.111695956160242,-0.02277019295372429,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22517625752474238,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0843357879809967,0.0,0.5896177685950412,0.0,0.0,0.0,0.0,0.0,0.0,-0.02277019295372429,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.114905946576673,5.111695956160242,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.114905946576673,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2177665603511634,0.0,1.329650494457042,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.114905946576673,5.111695956160242,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,31.166666666666668,2.077777777777778,0.5559027777777779,11.114905946576673,0.05912115772234816,-0.02277019295372429,7.000191929007704,1.689436859620391,4.114905946576672,12.057408502138149,1.689436859620391,4.114905946576672,12.057408502138149,7.16666,0.47778,0.0,0.02222,0.48374,0.80222,0.42766,0.48374,0.80222,0.05608,0.0,-0.05608,0.0,0.59557,0.11872,0.0,0.18605,0.06977,0.0,9.25,0.61667,7.75,0.51667,1.5,0.1,-6.25,-0.41667,0.0,0.0,15.88387,1.05892,19.557,3.67312,0.24487,6.25049,0.4167,7.30805,1.05757,0.0705,0.10595,0.00706,0.10595,0.00706,0.0,14.02,2,2,2,2,0,0,0.9230769230769231,1.1546947117521669,1.742639012626172,3.028045297195476,3.790121211776855,4.0220669435897065,4.158496895868568,47.342483181838844,71.44819951767305,124.14985718501451,155.39496968285104,164.90474468717798,170.4983727306113,0.2155265521933986,0.32526777362572645,0.5651919560622785,0.7074352630660159,0.750728493185466,0.7761934727435295,4.202857292865917,3.614912991991912,2.329506707422608,1.567430792841229,1.3354850610283773,1.1990551087495156,0.2155265521933986,0.32526777362572645,0.5651919560622785,0.7074352630660159,0.750728493185466,0.7761934727435295,10.12501148078941,17.37521697517991,22.424107203888237,24.062166981206243,25.36833500974401,24.433425216813998,55.218571421802295,39.908436382918026,30.73516663992438,25.99056703063093,23.32609312431966,24.14218683903798,15.0,12.071428571428571,11.928994082840237,15,3,8,2.6699999999999995,2.014700000000002,0.07692307692307693,3.8986515760371034,0.33333333333333337,0.0,12.548311177667692,2.894895043016866,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,6.851000000000001,14.0,13.0,12.0,11.0,9.0,8.0,7.0,6.0,5.0,114.0,2.772588722239781,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,4.859812404361672,1.1228070175438596,0.46153846153846156,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.0,0.7857142857142857,13.0,0.9285714285714286,2,7.0,13.0,0.8571428571428571,1.5,0.666666666666667,0.375,0.24000000000000007,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.01652892561983471,0.10714285714285714,0.04761904761904764,0.028846153846153848,0.020000000000000007,0.010101010101010104,0.009070294784580497,0.0078125,0.007054673721340387,0.006666666666666668,0.003305785123966942,0.25816577839856647,72.77835289945413,114.35725334881427,145.55670579890827,9.703780386593884,72.77835289945413,0.08350486496382825,0.00556699099758855,-3.7242755786740394,96.26951112967485,6.41796740864499,6.850727498489948,26.3,248.34825353738904,4.906890595608519,4.04305126783455,4.709530201312334,5.407171771460119,6.093569770045136,6.799055862058796,7.493873886783559,8.203304026795282,8.902591637374087,9.614538010517382,90.26668643418124,3.367295829986474,0.0,4.442651256490317,0.0,5.659482215759621,0.0,6.9440872082295275,0.0,8.268475388982598,8.584477938221834,214.193280072,5.224226343219512,28.649989518040517,1.9099993012027012,5.465152843566976,5.465152843566976,0.0,524.0,13.0,5.258000000000001,56.0,1.2406249999999994,2.137168367180285,2.864171603279349,3.632699118453759,4.924875043620288,5.924973400432717,7.183564331976338,8.218382303579338,9.488239369900214,10.620592235950923,88.09638656337495,88.62894371640323,88.86108200539681,125.32105726485405,160.99921590513534,181.68296363336069,205.2462461212729,218.62493974052978,240.6120741677356,273.59318771976564,290.1168424276861,331.8791324975748,349.7154787577949,481.464059378939,615.4301209799507,752.1601258987471,876.1539051632502,939.0094338375651,1073.5325962001903,1254.8077611559074,9.295112654300004,15.778226558850765,20.800900324243194,26.841747105562852,36.47554904945852,44.183808529025704,52.11576314304839,59.54071012765052,69.00475108445376,76.21816863317893,2.104871416569499,2.6415548793624026,2.879466350962018,3.8724909817529154,4.96744837675924,6.119359349427945,7.359110577850216,7.975821591648201,9.127874377780925,10.808315793427225,178.97176182222074,333.61927744731435,473.32725038450144,590.9983516054042,811.9827027120692,973.3027841109898,1176.144088317414,1360.6635387230128,1581.167522078674,1736.7706324755477,2.9082333333333326,4.692048432953782,5.38593703445841,7.64391683437884,10.854466333634988,12.836752498741179,13.565361772699474,15.630625370916432,18.17945662942739,21.011842966562405,0.4563961874999998,0.5900717971249512,0.6542434081292601,0.8896832083762823,1.156630291496795,1.4122552133430304,1.6574390474512977,1.813059708890551,2.0688798008431717,2.3996901578398075,612.713258259874,678.640386217476,19.311395528201047,214.900195501112,-238.02316941414986,-22.31421808667974,397.81306275876204,916.6635556316259,41.62561361488079,0.7403374793817997,0.8199968030165284,0.023333834703197272,0.25966252061820033,-0.2876018609079919,-0.026962125839394665,507.08973583360125,561.6519138991347,15.982370750038928,177.8542930125864,-196.99117731398084,-18.467547098692883,0.23605061874659372,0.2849491043649637,2.048878723461734,3.408311330128234,775.6172728194251,51.99618094156079,0.9371733498225884,0.06282665017741149,1020.5555746523146,31.946135519845193,10.068054391529985,1272.4185127787941,35.67097577553485,10.83619120867414,1805.5365028604303,42.49160508689252,12.176863125320356,3.9690248408899382,3.9690248408899382,5065.655556249506,4984.2058959178785,121.48368818486142,1.0163415521012757,41.698236462339786,41.02777887623419,6.528928474800354,9.03925613585633,17.14172202310831,0.896364232352223,7.264640446906956,10.932649534620776,5.323985980902857,44.97621500643869,15.410792888786796,1.7335268164465465,11.775691433300498,12.992970703716457,22.981858002171975,1.389554266324294,7.907018422027594,18.738069086382467,6.841887527887157,10.653741122534312,3.432383796815556,15.254583659865544,6.503963070325082,8.422056194070262,0.4098221137352147,3.6526863318188005,20.420778488653454,5.1772712431824965,4.8334912996145665,0.1413085317077035,1.2099823649051296,10.641830595367988,8.170634930626214,2.15597065623207,0.08105151437368743,1.689190150304735,0.6261784530586714,11.083319928780472,0.45117255946155316,12.084878556494878,0.17221838006982704,1.6892086226981962,2.5372011657881535,0.7206458626151175,5.576092656797413,0.07437761842004348,5.007544677021328,1.0204326307929807,0.6313185137288959,2.317482651110323,0.08042678815880897,4.913802596463008,0.3223517799395913,0.9250421636623872,0.06040029787695607,0.1994332849865377,4.54859921185752,0.2678396382353355,1.0764832662566588,0.0019538745676609642,0.01428651266745918,1.694352909706346,0.3608657318803708,0.7038432526384761,0.0024487077547691197,0.03077004465081647,1.9739629405765928,10.802257668604756,1.1848151400555489,13.533179841276844,1.179066160792902,1.5166707953640113,3.427499637634638,1.9892287839100156,7.3691385239765355,0.2678822457541473,4.908013159835427,3.377520331959007,1.250194675724714,3.3963379114403605,0.39644036400835336,6.530260848778643,1.1141769680791072,1.6247988861898504,0.06181358142359354,0.47138290405709127,7.038380603526783,0.9646101211059326,1.5262867370485056,0.012819059195591256,0.10361529847839161,3.2344012891251235,1.3789642736171288,0.9114078684973191,0.010770550238191437,0.17246432486945046,6.862343085041045,11.083181149166814,5.498866254300621,42.98783046094175,13.793307395002047,1.815616765026536,12.33287165669888,12.26601982393362,22.45917447218584,1.2825346625707046,8.326710909717209,17.74388274682499,6.233016355505516,10.329008818383722,3.0969251477476942,14.602825737142089,6.123334645190201,7.909701232810935,0.38543188673822043,3.852266349146752,19.68145612422012,4.791497727209205,4.491350149049822,0.12655809239498098,1.0820414620487107,9.992780982394207,7.488741931767375,2.0356418462183647,0.07350748342993045,1.5180328293614205,2.9016764389813563,10.69548168184971,1.6256171863691313,15.923558191912347,2.4851827829939213,1.459820545911258,4.110228505127625,3.1179414114544595,8.860930748000632,0.4229718784103748,4.946312750033286,5.234360225593187,1.8675375228311817,4.229753117922707,0.7226976956488743,7.794381431512695,1.7556895934192815,2.2912208086547476,0.08446793410069578,0.6435812256030177,8.898776666301876,1.5278047914265458,1.9292024786552904,0.025497555061007947,0.21088169280933064,4.376611319317921,2.2488957548951247,1.0802745517604722,0.018776253641817026,0.3281743100488062,8.773128456260093,11.028257138392995,7.012021715455344,60.34141509434913,22.452937755821857,1.8607314539810853,15.188136171830262,17.9699334610758,30.06636772162592,1.8159302070264418,9.378622691169161,25.044014200212796,9.359963519762738,13.658436027540787,4.822330093303424,18.243392973727524,8.751732992038608,11.602671049534665,0.5814296988902459,5.321654240555632,25.151163867118807,6.8185600357616085,6.227781915739634,0.2029842572013844,1.7458445304766326,13.159977995394549,10.926759805400282,2.637181177340363,0.1120856727987991,2.4019683412846553,4.695973900377645,10.951791536882322,4.419719187327539,34.25346140973575,6.528855816525216,1.8881942025652902,12.791075493624364,9.113269048267561,16.924475534844078,0.7555582120092789,8.835743050571754,13.011953996044223,3.2750903189428424,7.706478562231995,1.5028888977179464,10.941591692890034,4.514522751626249,4.687795774264722,0.27413659161588294,3.0671070936600136,16.977085825656925,2.8467047956351657,2.92631775505284,0.05853746881379384,0.4936011562076925,7.155804885565833,4.013523022844595,1.647001276943827,0.03693753811641459,0.7646139801372722,27.836249330446925,0.823232278388365,0.4844291780487807,0.955130885967931,0.028247145155236082,0.5741601706873183,0.6037790039638539,0.5853532034451593,29.14391078688407,36.79918807716265,77.04413207472776,0.9326963289518967,1.7632923780963314,23.31739364777989,0.4806810639527037,0.09340136445889663,0.9759712448665452,0.02011935396623382,0.40288039028635364,0.20403536588456844,0.021760248648550935,23.89147607619149,13.431002236789439,38.36934224959575,0.9639568672998178,0.628676004819473,25.917940499054268,0.5706740338730043,0.2505794452820124,0.9692865282392473,0.02134223022347146,0.49774009735848085,0.29013199324126426,0.15662038933110428,26.739193978209286,21.428197990225776,51.873636280818566,0.9539297923588711,0.9444924799308494,27.39003000782032,0.8221974243946111,0.4663241871193318,0.9550701991991375,0.028669419408207105,0.5558873123500976,0.6022446893179743,0.5424170044522033,28.678551619334264,35.67605615067432,74.85623411882598,0.9326052987987062,1.700549006120275,26.932066351251258,0.627145227517282,0.32579021016767545,0.9658262371687188,0.02249041374514493,0.5374752876484474,0.3503343518698502,0.2647484778919091,27.885001788936215,25.868838211668443,59.25653988653194,0.9487393557530782,1.1525581174102066,27.972148974628638,0.8591474747120031,0.5123241248051692,0.9532616775747996,0.029278850322546228,0.5797774842771726,0.6576288449090898,0.6547070626507193,29.34362057414581,38.80316987422697,80.45906687164545,0.9298925163621994,1.8921133918369817,27.541082940314574,0.8310204110466319,0.4691754713162038,0.9549189240062228,0.02881357710092989,0.5620312158871472,0.6151325426181867,0.5490703725663648,28.84127882267741,36.19869702783654,75.77808966681182,0.9323783860093343,1.7262341310716987 +UMLCN0416,L,pentyl pentanoate,CCCCCOC(=O)CCCC,Esters,,C10H20O2,BioCompoundML (2016),Unknown,PubChem,,28.2,0,-1.3821000000000006,1.9102004100000016,41.9085,32.53985999999997,0,0,32,12,20,0,10,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1974.8984919999978,1972.7466949999994,2275.198447,2078.300969999996,1909.733968999997,1712.9772399999974,1274.605633999998,1055.8089849999983,717.390075,5289.625460040611,6591.056047632473,8328.88525814675,8221.933049975307,7254.8269885473965,6248.0286435922735,5363.948998922883,4828.561630905606,4141.358091550474,236.47787200000016,232.77842000000004,430.283572,542.25492,471.43849999999975,408.5535999999998,345.6246559999999,282.11249200000015,300.08478000000014,38.06766609698002,48.60010620000001,66.66644565503702,68.47913293116801,58.74868842437606,49.727159564980056,42.98048885388603,41.17071703018805,38.01783382528204,5337.199172989981,4536.835788223,9207.26132019784,12383.79621568827,10535.539005944976,9056.583850906381,7556.904948842737,6312.35208471629,7020.659493627134,107.77777777777777,75.5,133.58333333333334,148.66666666666669,146.5,138.58333333333334,114.91666666666666,82.0,76.25,61.71557787499993,63.6369901612903,39.227559431034486,28.08514824324319,30.313237603174553,31.721800740740694,28.3245696444444,27.072025256410214,17.080716071428572,165.3007956262691,212.61471121395073,143.60146996804744,111.10720337804469,115.15598394519677,115.70423414059766,119.19886664273074,123.80927258732322,98.60376408453509,7.389933500000005,7.508981290322582,7.418682275862069,7.327769189189189,7.48315079365079,7.565807407407403,7.680547911111109,7.2336536410256445,7.1448757142857175,1.1896145655306256,1.567745361290323,1.1494214768109832,0.9253936882590271,0.9325188638789851,0.9208733252774084,0.9551219745308006,1.055659411030463,0.9051865196495724,166.7874741559369,146.34954155558066,158.74588483099726,167.34859750930093,167.23077787214248,167.7145157575256,167.93122108539416,161.85518165939206,167.15855937207462,3.3680555555555554,2.435483870967742,2.30316091954023,2.0090090090090094,2.3253968253968256,2.566358024691358,2.5537037037037034,2.1025641025641026,1.8154761904761905,0.2828597297180604,-0.16293902108696187,0.04315004066049755,-0.01101319148760043,-0.012999101476468754,0.04120532666644269,-0.05739570826050941,0.023742842853217056,-0.010625657626629773,1047.5152474999995,-17.4944446406261,-140.73239784375073,124.94200540625016,-49.03596039062528,-53.543620156250256,-358.8994320468753,-197.07666426562514,-184.94567146874977,1532.8858307768633,-152.14829421327772,-528.249170955431,151.1689227896448,-0.8572185637962519,-1.4579012109593776,-41.91150968115585,-316.27569932388315,-200.87707668696555,2.07332,0.03430575000000162,0.8296845000000012,-0.18992949999999967,-0.4952582499999973,-0.5311684999999965,-1.0279237499999947,-0.10644225000000107,-0.16621050000000218,6.783892946367493,-1.0554363209566229,-2.648907633815328,0.2507887850194042,-0.04497365474439309,-0.046368611882658964,1.2351780470617009,-1.2933354654117613,-0.5095142455347209,37.64305050992998,-6.380821146064416,-14.479189542535101,0.5028133959187108,-0.5552031159829974,-0.5776462269880523,8.765722981280113,-6.844622979116137,-2.141700121051077,39.72222222222221,-0.029513888888886897,10.961805555555568,-3.1215277777777666,-9.723958333333323,-5.427083333333323,-15.421875000000009,-0.5781250000000016,-5.052083333333325,0.008839366553689387,-0.005256097454418125,7.439662182844405E-4,-1.488269119946004E-4,-2.0633494407093261E-4,7.630616049341239E-4,-0.0012754601835668759,6.087908423901809E-4,-2.5299184825308983E-4,32.734851484374985,-0.5643369238911645,-2.426420652478461,1.68840547846284,-0.7783485776289727,-0.9915485214120418,-7.975542934375007,-5.053247801682696,-4.403468368303566,47.90268221177698,-4.908009490750894,-9.107744326817777,2.0428232809411457,-0.013606643869781778,-0.02699817057332181,-0.9313668818034633,-8.109633315997003,-4.782787540165846,0.06479125,0.001106637096774246,0.014304905172413814,-0.0025666148648648603,-0.00786124206349202,-0.009836453703703639,-0.02284274999999988,-0.002729288461538489,-0.003957392857142909,0.21199665457398414,-0.03404633293408461,-0.04567082127267807,0.003389037635397354,-7.138675356252872E-4,-8.586779978270178E-4,0.027448401045815574,-0.0331624478310708,-0.012131291560350498,1.1763453284353118,-0.2058329401956263,-0.24964119900922588,0.006794775620523118,-0.008812747872745991,-0.0106971523516306,0.19479384402844696,-0.17550315331067018,-0.05099286002502564,1.241319444444444,-9.520609318995773E-4,0.18899664750957876,-0.04218280780780766,-0.1543485449735448,-0.10050154320987635,-0.3427083333333335,-0.014823717948717988,-0.12028769841269822,-0.5946237688518899,0.08416510547058634,-0.016836830002539358,-0.02334272968743583,0.08632537188036808,-0.1442931657851119,0.06887267754905842,-0.028621038251603646,-0.01723963599347729,-0.07412346604464178,0.051578223266684146,-0.023777367005941494,-0.030290301511993363,-0.2436407245709331,-0.15436904621652903,-0.13451927131563224,-0.10245792644872502,-0.19013015360084823,0.04264527969247854,-2.840476407902803E-4,-5.636045692381762E-4,-0.019442896280544488,-0.16929392972494622,-0.0998438358633285,0.01708003930737941,0.2207845221756613,-0.039613603146487535,-0.12133184748699895,-0.15181762512227562,-0.3525591804448885,-0.04212433718346983,-0.06107912499207701,-0.16059844435989845,-0.2154318018105306,0.01598627885052131,-0.0033673528342219967,-0.004050431831353971,0.12947563300455966,-0.15642910921265282,-0.05722397641004675,-0.17497662907320777,-0.21221761414335727,0.005776174271513477,-0.007491633332252921,-0.009093547696456759,0.16559239818425378,-0.14919356507677178,-0.043348546376983196,-7.669749605232961E-4,0.15225464190981455,-0.03398223398223387,-0.12434232434232426,-0.08096348096348084,-0.2760839160839163,-0.011941904249596593,-0.09690309690309679,1.6237454610626374,0.9443818327068061,1.1102329083058884,1.4068464923824382,1.5182736762545832,1.7838262164602376,0.6888472475129503,0.4627921101634666,1.1785186983638645,1.115199233626563,0.9117529167710481,1.0627734234772175,1.1072057252463199,1.3754096690606894,1.0952318279335531,1.0052669964664585,1.502360515047727,1.3030631187472659,0.8870634774425448,0.9242006391189377,0.9096111994021076,0.9222164096474986,1.2195920190243115,1.0358744614593527,0.7108675940038195,0.707376840875571,1.0791140570470343,1.5239462571953457,1.7648040251777253,2.25320812352491,0.6813587720326667,0.6782486198808808,1.6501408464124052,1.359171197563814,0.9043707091918404,0.9176025603335668,0.9002028278007439,0.7638650442765188,1.2255133717804199,0.9884844007113098,1.6738177067137263,1.3603708117345952,0.9146581292434274,0.9314402798167052,0.9199343907674421,0.7512378930785036,1.2130949055776006,0.9647556490171807,0.5769230769230772,0.504207861104413,0.9298242298242301,1.5309024309024313,1.703554778554779,2.1851748251748258,1.0463959117805275,1.0777222777222781,82.873045763141,41.6865228815705,64.44006453101953,83.28971242980768,6.94080936915064,41.6865228815705,0.5,0.05995274053340072,0.004996061711116727,-3.377038421882476,129.82583221795835,10.81881935149653,5.839432560018838,82.89225164961354,41.695391403905454,64.45561186077609,83.30769428144467,6.942307856787057,41.695391403905454,0.49853115819737326,0.059982338811557345,0.0049985282342964454,-3.376446135877364,129.7943993545091,10.81619994620909,5.839141986082477,99.96091162486451,49.581461334374225,78.53850327114196,99.29592082810112,8.274660069008426,49.581461334374225,-0.7979889561160576,0.07656776639356389,0.006380647199463657,-3.0834949140721433,147.69468981566249,12.307890817971874,5.994176683668522,82.91240870627064,41.70469915335425,64.47193008532216,83.3265667066355,6.943880558886292,41.70469915335425,0.496989600437864,0.06001336556479081,0.005001113797065901,-3.3758255785848608,129.76155504888618,10.813462920740514,5.83883828920102,118.14087194855004,57.9881417099359,93.9011866723039,116.33704817465153,9.694754014554292,57.9881417099359,-2.1645885286782374,0.08333056417410434,0.006944213681175361,-2.981927856301049,140.20081595010808,11.683401329175673,5.931690953381362,84.8850032544911,42.61563581312388,66.07325110383871,85.17356023095499,7.097796685912915,42.61563581312388,0.3462683717566719,0.06287274980100904,0.005239395816750754,-3.3199709275869513,127.22166899768756,10.601805749807296,5.815117188183449,82.56661969378021,41.486480627011716,63.78573720328026,83.27119816388196,6.93926651365683,41.486480627011716,1.1760317460317466,0.06595088561204038,0.005495907134336698,-3.2626139656459117,111.34756154085315,9.278963461737762,5.655187793297069,0,11.89,15.995919664602551,-0.3156588179726061,0.26148914112429533,4.252251831696466,7.075506057200704,11.0,31.0,30.0,30.0,10.0,1.0,1.0,0.0,0.0,1.0,24.738139999999994,3.568883644824762,3.3847365906686884,3.154635949419103,2.885212313481101,2.4670517571284627,2.249079971931562,1.732887120255331,1.6611582428928524,1.86544732369265,1.8305241500529608,1.551573822068861,1.4459034012975072,1.1176680178155753,0.9698367105903841,0.7489215818422942,0.6175751252617756,3.500804715369488,3.409348560068726,3.0991355223963057,2.898484682702839,2.4457867561678484,2.24363017595988,1.771867451421623,1.6657193673625823,1.8297037701739236,1.7691517721985852,1.5252896617937526,1.3799331456935455,1.0588615610100414,0.902021974924104,0.6356795328643751,0.5371211640165454,3.6667427208335273,3.5497896644372084,3.313186447092392,3.0994908925302465,2.730829796608437,2.5394141400143453,2.153292995094462,2.0664245831672208,1.629421823754913,1.5711489475370446,1.2587486328890516,1.111372068465952,0.7019783378846127,0.5366319274074588,0.1768232671110649,0.07379939466737669,3.501425457382501,3.4304109823360296,3.0936408293060373,2.9215825753778843,2.456581467896155,2.270921138698353,1.8154348732520154,1.7096698518257922,1.8168299723532013,1.7296065638916585,1.5120004163653737,1.3359776873481757,1.021341707091926,0.854697957412978,0.5623410407912846,0.4784047113184809,3.698976703931351,3.613787465375072,3.359890854510718,3.1791528830722653,2.817839878762986,2.6418072183158654,2.297859983270909,2.2080074033291996,1.585802680020006,1.5109946589188241,1.2085176285998618,1.0347131447506175,0.6163685469163085,0.43563729280744146,0.03537275044052832,0.06348402203783311,5.024004331857756,3.5347667231959714,3.421284388175253,3.250062015603322,2.8680372093319138,2.6894107225634003,2.1767182880932685,2.029118600278057,1.71012448419663,1.6653178535753208,1.2863165892847508,1.156771490116518,0.7797424042132285,0.5968377911899182,0.36281587217802674,0.1916704409265087,0,0,1,0,0,3,6,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4505237851453038,0.08333333333333333,0.08838834764831845,0.09196278254943947,9.234204518682008,5.8080604124904465,4.09673554708526,2.6009536313038994,1.6164994001820574,1.0778242655872443,0.522692568794007,0.348461712529338,0.7695170432235007,0.528005492044586,0.37243050428047825,0.26009536313038994,0.17961104446467305,0.13472803319840554,0.08711542813233451,0.0696923425058676,8.26624404923356,4.964690378025045,3.0311303522373056,1.7453948993433326,0.9313493528227855,0.47998656769474324,0.23114858142235395,0.14403315329001945,0.6888536707694634,0.4513354889113677,0.275557304748846,0.17453948993433327,0.10348326142475395,0.059998320961842905,0.03852476357039233,0.02880663065800389,16.847876246692447,31.539694100509827,29.9529411764706,30.399999999999988,18.946023952095814,246.5915928143713,0.526496132709139,0.9856154406409321,0.9360294117647062,0.9499999999999996,0.5920632485029942,7.705987275449103,2.910000000000002,50.00900000000003,45.55585920177816,70.64279121799609,91.11171840355632,7.5926432002963615,45.55585920177816,0.05782533330410927,0.004818777775342439,-3.4203939682407016,149.53088875817008,12.460907396514173,6.0090035823072965,163,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.950092120181406,-0.03430272108843502,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.2237546060090705,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.211574703955657,0.0,6.5393025636180395,0.0,0.0,0.0,0.0,0.0,0.0,-0.03430272108843502,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.942869897959184,5.0072222222222225,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0072222222222225,-0.03430272108843502,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25241106859410434,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0737727544721594,0.0,0.5859375,0.0,0.0,0.0,0.0,0.0,0.0,-0.03430272108843502,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.942869897959184,5.0072222222222225,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.942869897959184,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.137801949483497,0.0,1.1731254724111868,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.942869897959184,5.0072222222222225,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,26.666666666666664,2.222222222222222,0.5559027777777779,10.942869897959184,0.10750000000000004,-0.03430272108843502,4.9761807914462075,1.7009693877551018,3.942869897959184,11.323333648274126,1.7009693877551018,3.942869897959184,11.323333648274126,5.66666,0.47222,0.0,0.02778,0.49792,0.82778,0.42632,0.49792,0.82778,0.0716,0.0,-0.0716,0.0,0.57047,0.14382,0.0,0.23529,0.08824,0.0,7.75,0.64583,6.25,0.52083,1.5,0.125,-4.75,-0.39583,0.0,0.0,11.2182,0.93485,14.61088,3.39268,0.28272,4.75049,0.39587,5.80805,1.05757,0.08813,0.10595,0.00883,0.10595,0.00883,0.0,11.02,2,2,2,2,0,0,0.9,1.198192411043098,1.8734936758692484,3.2272170014624826,3.7417292966721747,3.6875,3.9292292966721747,38.342157153379134,59.95179762781595,103.27094404679944,119.73533749350959,118.0,125.73533749350959,0.23963848220861958,0.37469873517384966,0.6454434002924965,0.748345859334435,0.7375,0.785845859334435,3.801807588956902,3.1265063241307516,1.7727829985375174,1.2582707033278253,1.3125,1.0707707033278253,0.23963848220861958,0.37469873517384966,0.6454434002924965,0.748345859334435,0.7375,0.785845859334435,10.71860944884017,19.071906790503974,23.73718709051987,23.30940654087468,24.888082753750002,23.49837373437468,43.93974703476992,29.34186086912346,23.08589189016569,22.667292966721746,20.5,21.8713343733774,12.0,9.090909090909092,9.0,12,3,5,2.34,1.5920000000000014,0.09999999999999998,3.5507128255564586,0.4082482904638629,0.0,6.9491023546208295,2.7346873605860256,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,5.354,11.0,10.0,9.0,8.0,6.0,5.0,3.0,2.0,1.0,78.0,2.5649493574615367,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.0794415416798357,1.9459101490553132,1.3862943611198906,1.0986122886681098,0.6931471805599453,4.499809670330265,1.141025641025641,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.7272727272727273,10.0,0.9090909090909091,0,5.0,10.0,1.0,1.5,0.666666666666667,0.375,0.24000000000000007,0.11111111111111113,0.08163265306122448,0.03125,0.02469135802469135,0.020000000000000004,0.0,0.13636363636363635,0.060606060606060635,0.0375,0.026666666666666675,0.013888888888888892,0.013605442176870748,0.00625,0.008230452674897117,0.010000000000000002,0.0,0.31311114737702045,45.55585920177816,70.64279121799609,91.11171840355632,7.5926432002963615,45.55585920177816,0.05782533330410927,0.004818777775342439,-3.4203939682407016,149.53088875817008,12.460907396514173,6.0090035823072965,26.3,196.46029965978894,4.584962500721156,3.8066624897703196,4.465908118654584,5.1647859739235145,5.849324779946859,6.558197802812269,7.253470382684528,7.9665866976384025,8.667163717992533,9.38235903577424,82.11445899919725,3.1354942159291497,0.0,4.204692619390966,0.0,5.424950017481403,0.0,6.717804695023691,0.0,8.052933036797567,8.365206834418355,172.14632988,5.37957280875,22.65054885255811,1.887545737713176,5.4453598616310686,5.4453598616310686,0.0,262.0,10.0,3.551,44.0,1.2379999999999998,2.1297920451312202,2.8592120566610717,3.6357658232076946,4.906515503255465,5.889154220138616,7.120222092231143,8.09061467869446,9.35315529603102,10.493078208918607,89.80198580716124,92.05708809447579,93.05770083742442,134.79610432738755,176.44234835448944,189.8358013181222,213.64171332306242,156.23481233828176,138.78403396651234,120.9710026368496,287.20689835136875,326.07250976371984,346.7375424605177,480.7450221447372,614.3772753652541,767.7510360272706,943.0782816423595,859.5740224231989,848.6109935445506,848.5790215236738,9.349043292645163,15.884707173733776,21.031959973447652,27.397431584211308,37.30726857277121,45.42996624099812,51.59295689696884,57.89511866029837,64.86383920485656,72.51747502803713,2.065036247116128,2.561934642888498,2.8034145056545032,3.759762023370292,4.772669202552873,6.025308093631698,7.905097545763554,7.740791425956722,8.138259104491839,8.485662387513637,179.25789310602818,334.86467843349044,474.94500114577295,595.7382912472428,815.5213587600207,977.6263249811063,1141.100207824751,1338.347524454272,1572.725822828939,1782.7569198180006,3.0978091397849457,5.092773446340657,5.885929573852253,8.676644133388672,12.91140024900171,15.150970528133485,15.132705646661861,14.81056549702104,13.01968657916473,14.725170118293947,0.4542924193548388,0.5836945220589635,0.6531447023105378,0.8946351200654803,1.1645453948132067,1.434460439909187,1.7491870485705527,1.7110494436729469,1.7629821942495731,1.850377824465832,496.64119446184986,470.8386702414048,15.185675530036335,215.5301666404654,-204.33250038363545,-21.456785414524507,281.1110278213845,675.1711706250403,36.64246094456084,0.6973619294282448,0.6611311489872743,0.021323064025674375,0.3026380705717551,-0.2869147954326117,-0.030128683328845458,353.69363543937527,335.3178166454255,10.8148032114841,153.4944121349491,-145.51975491565304,-15.280908073542227,0.2757770881037704,0.3329050137745853,1.4570333440750458,3.2993033768167366,667.5017178406226,44.6696432616929,0.9372768329344893,0.06272316706551101,834.3108672138644,28.884439880563107,9.414038429386283,1028.0515888496172,32.063243579675735,10.092644348094847,1454.3208236495527,38.135558520225615,11.329743407247063,3.308791103302819,3.308791103302819,2426.3255277298904,2356.0630234384366,100.30883288816676,1.0298219969468019,24.18855307024631,23.488091283697678,5.507022773364925,6.773216465673423,13.445823778200046,0.9851460301532239,5.591237126290619,8.08709761149088,4.434988461522258,30.05758171409764,9.486243942738701,1.733479894744463,9.392752209367673,12.576573532650752,9.885902724103982,0.9173800013187391,9.140908893257315,6.123073887524226,5.378434759770416,1.5506988693887278,3.933347798328457,14.076951126922037,7.616808881802179,5.593144015010801,0.012993702724729852,3.8247198222784116,6.916597239253287,8.645788444759711,0.9151098295812103,3.261755681026669,0.020465857310689593,1.5720944268315082,9.190866364372158E-14,1.0925134765563661E-48,2.5048005336891557E-105,1.1076317501657722E-183,0.48574130817274486,8.237894321710593,0.3848217631378349,9.04470075881826,0.13001934766712828,1.6891620849735376,2.1695239644167708,0.7177120768345467,2.3392167582525745,0.07105197445929402,5.071725262869404,0.19720213102477435,0.6606544217037592,0.023654759584844098,0.22268321102932703,3.392047480403285,0.30560272619826095,0.546097305591089,7.661564959972931E-4,0.03167378746463206,1.322520347288004,0.35533291307241477,0.17543943710747,0.02318582448821741,0.001712362430734662,0.01107238959092351,6.473202329808279E-16,7.6946617450625E-51,1.7641514964502772E-107,7.8011409822435E-186,1.520614717544934,7.956823384609363,0.9651861697369306,9.689564979004857,0.7430252576630785,1.516624231981258,2.6485099760263897,1.9586648483397693,2.8851134459767955,0.23322711547035255,5.061083106380103,0.6222858423238938,1.2130029360659818,0.12652254505770025,0.5558743478888774,5.020590355390854,1.2063567296711797,1.0617196327194294,0.002647064480625318,0.2928803040762775,2.192644871583131,1.3910250502315311,0.3264149625519736,0.23993429001790384,0.005531137900208583,0.1153828363946699,6.7455759141832065E-15,8.018430799894034E-50,1.838381876096511E-106,8.129390374628975E-185,5.282786855238363,8.237643010861404,4.665410276879369,29.369917721944134,8.514315981561912,1.8155698854818216,10.073321419905046,11.895016707118334,10.237522443040515,0.8618358367966552,9.626429512149807,5.972823082901209,5.018739660836321,1.3868808002501336,4.098800494723144,13.22738206930503,6.959926860610717,5.102123418686108,0.012027576289124866,3.411017458142271,6.477997187285679,7.905981189953976,0.8698252721094979,2.9063096449529864,0.019314522663246868,1.4007078310381043,8.18889646250273E-14,9.734098384989555E-49,2.231732180234268E-105,9.868799481024556E-184,2.2335245704977003,7.850036362031597,1.2964201724769626,11.047038478080918,1.5392050343826547,1.4597739492614008,3.0488722294491284,3.0515550828848674,3.293543708460753,0.3476965063771398,5.156614283287895,1.0234989166752024,1.695310896012913,0.2593279926940311,0.7729677618348471,6.302574878348951,2.00036005496577,1.5684698781487068,0.004120853557274821,0.6245211135062433,2.8706450416982845,2.2969434433271583,0.4300569975157199,0.5206509504900265,0.008155342967469337,0.2506269388685433,1.465229227416714E-14,1.741710317323697E-49,3.9932110916521246E-106,1.7658122196715042E-184,6.752251599391027,8.182647304846247,5.911497706445395,39.955598789083965,13.81407928557607,1.8606843550129395,12.348324797315108,17.36266079777795,13.425858971947216,1.1273086846649187,11.183198100776098,8.9314954789928,7.16943478652527,2.249647322645646,5.640253252210666,17.44443824329595,10.286586343675458,7.617869577838039,0.016817862568236457,5.562547186529272,8.649689517212185,11.648688571707375,1.0827809631304939,4.756281981505925,0.024732431784996692,2.2927519736268254,1.340401482035986E-13,1.5933282294225545E-48,3.653016173291759E-105,1.6153768106427406E-183,3.5804706678450215,8.14044649652467,3.7840711233581104,25.988421202907087,4.045230335444532,1.8257877663602364,10.948504848165715,8.65294039360121,9.018945897363082,0.5499436030888426,9.612451356249638,5.5402162023996295,3.19023453263139,0.6371791635459174,5.203987766594614,9.104120417169243,3.541248616097013,2.6441206215916906,0.008084125335442923,1.4751699472254933,4.902395058100989,4.040662592963723,0.7826457143278344,1.24903098838211,0.015635126271601983,0.6015028097134052,3.516539367811646E-14,4.180091949838366E-49,9.583677246552197E-106,4.2379363381834203E-184,17.86792198747892,0.8004964004137956,0.465828759375,0.9338189190281457,0.04183579287195017,0.5942315812133444,0.573109308481775,0.5624848934774357,19.134247147267715,22.999493410976886,48.79658583907312,0.9007283785422185,1.7298257831725552,13.616027980107125,0.5026068123701584,0.08722323625049333,0.9584798012603062,0.03538025027096304,0.34513054110520014,0.22460939001750888,0.019720715178179166,14.205858028727777,8.07498143826321,22.87775241871047,0.9377197018904594,0.5894606463008882,16.11153630657709,0.5648093360929164,0.2396968922959703,0.9524412269166415,0.03338897587455448,0.4831467066594594,0.2853365249932953,0.1489303036189446,16.916042534965978,13.097214350156172,32.194485691286616,0.9286618403749621,0.9174135352716994,17.40995833583985,0.8027750511513325,0.4461216125254019,0.9330668112427536,0.04302381100941783,0.5641571606239182,0.5764788590047617,0.5158991291086513,18.658854999516585,22.101374180696137,46.99534983728678,0.8996002168641305,1.6565351487373312,17.099642588793028,0.6118064166113966,0.31414688277375113,0.9486311961541076,0.033940981502455676,0.5442268010386471,0.33480692747368224,0.2558136871469152,18.025595888178177,16.025667552039142,37.337764791562044,0.9229467942311615,1.1348474156592445,17.977446749436016,0.8351550885413594,0.4922329977009014,0.9312406401017714,0.04326144697171226,0.6015389304448256,0.6238075923620766,0.6280579483839892,19.304834835678278,24.2741395290339,50.96933899880454,0.8968609601526573,1.8534044711908915,17.530263265856725,0.8122512461941929,0.4491160511130132,0.9328761124231664,0.043224096145568054,0.5719804971996423,0.5901764404034611,0.5228479644997104,18.79163056316393,22.476895868939852,47.663480085898364,0.8993141686347497,1.6850049021028137 +UMLCN0417,L,Perhydro-phenanthrene,C1CCC2C(C1)CCC3C2CCCC3,Naphthenes,,C14H24,BioCompoundML (2016),Unknown,UML,,38.8,0,-0.8428000000000004,0.7103118400000007,49.5684,40.64303199999997,0,0,38,14,24,0,14,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2044.0832299999972,2598.7960480000015,3813.539878000006,4064.9975740000073,3259.017904000005,2206.8322179999946,1089.9611559999946,374.5558330000009,64.68537599999999,6675.2464908329375,9529.949220881725,15594.513334061547,18685.53599495153,16945.302238677912,12786.00117727017,7670.4137394853815,3378.3175631911245,956.286376376958,266.8103600000002,291.47142400000007,603.1928560000009,953.0195440000016,1010.150080000002,898.0541200000029,649.9922080000007,363.287332,135.965952,49.71530971637604,71.34746343999998,123.7062331684898,158.4222566085073,151.03377580184622,119.5959571757886,76.59015483214796,36.61167353456399,11.567983717584006,6213.144633841977,5703.650842549602,12601.024835293283,21459.513210925637,23345.33143750396,21429.028101727334,15941.552142711153,9233.790592369365,3571.1726232395845,53.611111111111114,68.41666666666667,130.05555555555554,188.6944444444444,195.16666666666663,168.0,117.33333333333334,62.25,22.0,53.79166394736835,64.96990120000004,45.39928426190483,30.111093140740795,22.63206877777781,17.10722649612399,11.595331446808453,7.067091188679263,3.2342687999999997,175.66438133770887,238.2487305220431,185.64896826263745,138.4113777403817,117.67570999081883,99.11628819589278,81.6001461647381,63.741840814926874,47.814318818847894,7.021325263157899,7.286785600000002,7.180867333333344,7.059404029629642,7.014931111111125,6.961659844961263,6.914810723404263,6.854477962264151,6.7982976,1.308297624115159,1.7836865859999995,1.472693252005831,1.173498197100054,1.0488456652905986,0.9271004432231674,0.8147888811930634,0.690786293104981,0.5783991858792004,163.50380615373624,142.59127106374007,150.01220042015814,158.9593571179677,162.1203572048886,166.116496912615,169.590980241608,174.22246400696915,178.55863116197924,1.4108187134502925,1.7104166666666667,1.548280423280423,1.397736625514403,1.3553240740740737,1.302325581395349,1.24822695035461,1.1745283018867925,1.1,0.04878437763684314,0.00177609731684944,-0.014871883879471142,-0.006998284551757316,-0.013299178820661652,-0.0040816516633842385,-0.0018791779492733438,0.006514797687341694,0.005658051830984574,1070.4783953684207,96.58451687534463,-238.1076631301961,-202.89455801939073,-424.56943876454454,-148.56576727700735,-22.804677595565657,189.1446788808879,150.24258180609493,1990.600287252072,179.60303343627703,-442.77136715193365,-377.29109454495847,-789.5050011469698,-276.2643882370529,-42.406271783566055,351.7226071460441,279.3824964564316,0.2096993684210523,0.018920243767316332,-0.04664365650969098,-0.039745650969527396,-0.08317023822714686,-0.029103013850417785,-0.004467279778396425,0.037052144044318606,0.029431490304707746,8.898909466033265,0.8029091247549041,-1.9793940228331852,-1.686666737766315,-3.529454694234997,-1.2350303550917237,-0.18957576556714284,1.5723637026449562,1.2489697496186944,48.339017455759446,4.361415108789733,-10.752099747365829,-9.16200048895227,-19.172053915724277,-6.708704490257038,-1.0297785673527642,8.541104588048215,6.7844235025629835,1.8888888888888913,-0.027777777777778692,-0.6111111111111127,-0.11111111111111115,-0.44444444444444187,-0.19444444444444153,-0.11111111111110926,0.2222222222222225,0.22222222222222254,0.001283799411495872,4.4402432921236E-5,-1.7704623666037076E-4,-5.183914482783197E-5,-9.235540847681702E-5,-3.164071056887007E-5,-1.999125477950366E-5,1.2292071108191877E-4,2.8290259154922873E-4,28.17048408864265,2.4146129218836156,-2.834615037264239,-1.5029226519954868,-2.948398880309337,-1.1516726145504446,-0.24260295314431551,3.5687675260544887,7.512129090304747,52.38421808558084,4.490075835906926,-5.271087704189687,-2.794748848481174,-5.482673619076179,-2.1415844049383947,-0.45113055088900056,6.636275606529134,13.96912482282158,0.0055184044321329555,4.730060941829083E-4,-5.552816251153689E-4,-2.9441222940390665E-4,-5.77571098799631E-4,-2.2560475853037042E-4,-4.7524252961664095E-5,6.990970574399737E-4,0.0014715745152353874,0.23418182805350699,0.0200727281188726,-0.02356421455753792,-0.012493827687157889,-0.02451010204329859,-0.009573878721641269,-0.002016763463480243,0.029667239672546343,0.06244848748093472,1.2720794067305117,0.10903537771974332,-0.1280011874686408,-0.06786667028853532,-0.13313926330364081,-0.05200546116478324,-0.010955091142050682,0.1611529167556267,0.3392211751281492,0.049707602339181346,-6.944444444444673E-4,-0.007275132275132294,-8.230452674897122E-4,-0.003086419753086402,-0.0015073212747631127,-0.0011820330969266942,0.004192872117400425,0.011111111111111127,0.03458673724542269,-0.13790802135831953,-0.04037947389883085,-0.07193912666559435,-0.024646148210959673,-0.015571945742061076,0.09574759887036606,0.22036354668490857,0.0857142857142843,-0.10062358276644087,-0.05335097001763674,-0.10466269841269885,-0.040882244370616216,-0.008611955420465228,0.12668463611859943,0.2666666666666681,0.08571428571428565,-0.10062358276644,-0.05335097001763686,-0.1046626984126986,-0.040882244370616695,-0.008611955420466182,0.12668463611859884,0.2666666666666671,0.08571428571430086,-0.10062358276643078,-0.0533509700176345,-0.10466269841269865,-0.04088224437061972,-0.008611955420471997,0.12668463611858927,0.26666666666665445,0.08571428571428816,-0.10062358276643846,-0.05335097001763621,-0.10466269841269837,-0.04088224437061693,-0.008611955420466883,0.12668463611859682,0.2666666666666646,0.08571428571427406,-0.1006235827664473,-0.05335097001763883,-0.10466269841269916,-0.040882244370614614,-0.008611955420461817,0.12668463611860573,0.2666666666666767,-0.013970588235294562,-0.14635854341736715,-0.016557734204793013,-0.06209150326797342,-0.03032375740994023,-0.02377972465581935,0.08435072142064373,0.22352941176470595,1.3109967050709384,1.2860100693810164,1.0233757407504132,1.0378679189889615,0.9586703424402027,0.8996427289642271,0.702564766435291,0.47278786574733117,1.2553571428571442,1.2952097505668951,1.0848765432098777,1.0751901455026467,0.9407069029162064,0.8458080040526859,0.6316262353998209,0.41845238095238113,1.2553571428571435,1.295209750566894,1.084876543209877,1.0751901455026458,0.9407069029162055,0.8458080040526854,0.6316262353998208,0.4184523809523814,1.255357142857143,1.2952097505668945,1.0848765432098784,1.0751901455026476,0.9407069029162064,0.845808004052685,0.6316262353998204,0.4184523809523812,1.2553571428571428,1.2952097505668916,1.0848765432098753,1.0751901455026445,0.9407069029162037,0.8458080040526843,0.6316262353998202,0.4184523809523808,1.2553571428571455,1.295209750566895,1.0848765432098775,1.0751901455026465,0.9407069029162063,0.8458080040526861,0.6316262353998215,0.41845238095238174,1.373897058823528,1.2696078431372528,0.9713507625272315,1.0239991830065343,0.9785681714546269,0.9319461827284092,0.7391786903440613,0.4897058823529406,79.27882005132714,39.63941002566358,57.38537671807842,79.27882005132716,5.662772860809083,39.63941002566358,1.4210854715202004E-14,2.220446049250313E-16,1.586032892321652E-17,-50.46111474476402,90.62870966213822,6.473479261581302,6.309479465155947,79.27882005132714,39.63941002566358,57.38537671807842,79.27882005132716,5.662772860809083,39.63941002566358,1.4210854715202004E-14,2.220446049250313E-16,1.586032892321652E-17,-50.46111474476402,90.62870966213822,6.473479261581302,6.309479465155947,79.27882005132714,39.63941002566358,57.38537671807842,79.27882005132716,5.662772860809083,39.63941002566358,1.4210854715202004E-14,2.220446049250313E-16,1.586032892321652E-17,-50.46111474476402,90.62870966213822,6.473479261581302,6.309479465155947,79.27882005132714,39.63941002566358,57.38537671807842,79.27882005132716,5.662772860809083,39.63941002566358,1.4210854715202004E-14,2.220446049250313E-16,1.586032892321652E-17,-50.46111474476402,90.62870966213822,6.473479261581302,6.309479465155947,79.27882005132714,39.63941002566358,57.38537671807842,79.27882005132716,5.662772860809083,39.63941002566358,1.4210854715202004E-14,2.220446049250313E-16,1.586032892321652E-17,-50.46111474476402,90.62870966213822,6.473479261581302,6.309479465155947,79.27882005132714,39.63941002566358,57.38537671807842,79.27882005132716,5.662772860809083,39.63941002566358,1.4210854715202004E-14,2.220446049250313E-16,1.586032892321652E-17,-50.46111474476402,90.62870966213822,6.473479261581302,6.309479465155947,85.4260798617199,41.99838657316047,61.680071375790284,85.4090730589988,6.10064807564277,41.99838657316047,-0.03968253968259461,0.022768991867570254,0.0016263565619693038,-5.295297944268243,89.6173539089088,6.401239564922057,6.293768576544422,0,11.900000000000002,12.100268850778194,-0.15114277907255125,0.04916480553761365,7.380745703652082,10.58113934912176,16.0,40.0,40.0,40.0,16.0,0.0,0.0,0.0,0.0,0.0,26.236967999999994,3.8229388769579917,3.4709358382447477,3.134170270754152,2.901509620851911,2.77522726614896,2.48088282757721,2.4058376985115864,1.6303789816245498,2.1097654738556306,1.8672533088566095,1.6240584702146443,1.4218316982540846,1.3514463184894758,1.1368073182554372,1.1205485389227061,0.7373672802764144,3.841762860753409,3.4974131498854035,3.1672332057082517,2.935606915207143,2.81310852265249,2.52486773108534,2.455310699382665,1.717007859939685,2.0664037118372005,1.8088657975917903,1.553127982459897,1.3450867378190294,1.267382107691983,1.0431267168232992,1.0214888558317454,0.6006714117165133,3.925135949019569,3.6143304814110393,3.31313807109487,3.088268066919589,2.9830696047608884,2.7210586918070803,2.673408476326005,2.0808295428123382,1.9419373979995052,1.6377552699663978,1.3422766808068136,1.119128588812354,1.0174089791589724,0.7603939137664468,0.7165863807579815,0.1491736011568718,3.855655997946191,3.516947440227428,3.191634448225475,2.960897785098433,2.8412400228548105,2.557486028610728,2.4918724151864358,1.7801277527650152,2.0390878854690886,1.771735207001357,1.5077284741776742,1.2961174527092678,1.2134938039804657,0.9827142561432299,0.9571150269684312,0.5094641255179309,3.9662377424221247,3.6715185543019717,3.3841814906434764,3.1636921562529055,3.066938126921666,2.816922226933674,2.7783058861863466,2.2448249504000306,1.903896203411664,1.5846368045997417,1.2761391211579312,1.0492471197886202,0.9396204480420463,0.671128110345743,0.6183290763778934,0.008113836967145162,3.8713757115577696,3.5758881469841386,3.268957062505435,3.0211832679163537,2.9161041314377476,2.6327433579208552,2.589138458506264,1.944685888375442,2.0036275164692467,1.68731047739232,1.3997347711722194,1.1989610109171172,1.0992878189009532,0.863451501753502,0.8177373203042817,0.3037084548302348,0,0,0,0,0,0,10,4,0,0.0,0.0,0.0,0.2222222222222222,0.3712110153263728,0.0,0.0,0.0,0.2222222222222222,0.3712110153263728,0.6054988603092419,0.0,0.1916383190435099,0.0,0.6054988603092419,0.0,0.1916383190435099,0.0,1.8264920700996006,3.269075925343407,4.823558520977338,1.8264920700996006,3.269075925343407,4.823558520977338,9.38046888862398,6.949489742783179,5.994132901755475,5.3939341872276225,4.744991100845501,4.10802150947861,2.5777429131188963,1.8720521364832816,0.67003349204457,0.4343431089239487,0.2724605864434307,0.17399787700734265,0.11297597859155954,0.07469130017233837,0.049571979098440314,0.033429502437201455,9.38046888862398,6.949489742783179,5.994132901755475,5.3939341872276225,4.744991100845501,4.10802150947861,2.5777429131188963,1.8720521364832816,0.67003349204457,0.4343431089239487,0.2724605864434307,0.17399787700734265,0.11297597859155954,0.07469130017233837,0.049571979098440314,0.033429502437201455,20.50193364543047,36.654042243262936,34.705882352941174,35.11999999999999,23.582653892215593,289.82445029940124,0.5395245696165913,0.9645800590332352,0.9133126934984519,0.9242105263157893,0.6205961550583051,7.626959218405296,4.393000000000004,60.13000000000005,145.7270379542866,163.71064480115797,293.6264346623607,20.97331676159719,145.7270379542866,0.058089934334597554,0.004149281023899825,-3.9840680283409107,132.06848284839606,9.433463060599719,6.8366488365123494,170,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.8000000000000003,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.683518518518518,0.0,0.0,0.0,4.649814814814814,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5402314814814815,0.0,0.0,0.0,1.155648148148148,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5891203703703705,0.0,0.0,0.0,1.1692592592592592,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.333333333333336,1.4523809523809526,0.2,1.5891203703703705,0.2,1.155648148148148,9.535627222222221,0.17768518518518528,0.08912037037037042,1.3670370370370375,0.17768518518518528,0.08912037037037042,1.3670370370370375,7.0,0.5,0.0,0.0,0.44737,0.7,0.44737,0.44737,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.0,0.28571,0.0,8.0,0.57143,8.0,0.57143,0.0,0.0,-8.0,-0.57143,0.0,0.0,18.11505,1.29393,18.11505,0.0,0.0,6.94947,0.49639,6.94947,0.0,0.0,-0.03547,-0.00253,0.22253,0.0159,0.3684210526315789,74.0,0,0,0,0,0,0,1.0,0.9494520153879485,1.2674438038072338,2.0387607528626863,2.8000446184790104,3.1952959344962175,3.3660913291191936,36.079176584742044,48.16286454467488,77.47290860878208,106.4016955022024,121.42124551085627,127.91147050652935,0.18091942256362017,0.24151320698703066,0.38848874105825676,0.5335524569091613,0.6088681534397811,0.6414134571211773,4.298475498055637,3.9804837096363515,3.209166760580899,2.447882894964575,2.0526315789473677,1.8818361843243916,0.1784037661651352,0.23815500345163135,0.38308686560821265,0.526133493079123,0.6004019365774323,0.6324947028790017,6.790838447282358,10.606739908313779,15.349810544211767,17.710851766802744,19.266266986278982,18.28132781106718,54.63108459994825,48.66496157243257,39.822858218987044,35.441331746028276,31.45361381440103,32.899438813717836,9.2421875,3.8677685950413223,1.6482830385015608,0,0,0,3.0,1.7554000000000014,0.0,0.0,0.0,0.0,14.847369963128285,16.916309310493833,0.0,3.965406456500188,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.11499999999999999,0.14400000000000002,0.42100000000000004,0.604,6.916,22.0,31.0,42.0,55.0,52.0,56.0,58.0,58.0,36.0,440.0,2.833213344056216,3.1354942159291497,3.4657359027997265,3.7612001156935624,4.02535169073515,3.970291913552122,4.04305126783455,4.07753744390572,4.07753744390572,3.6109179126442243,6.089044875446846,1.0,0.42857142857142855,3.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,1.0,6.0,0.0,0.0,3.0,0.0,0.0,0.0,2.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1,4.0,7.0,0.75,1.5,1.5555555555555562,0.75,0.6488888888888888,0.12500000000000003,0.0783673469387755,0.0,0.0,0.0,0.0,0.09375,0.07070707070707073,0.03409090909090909,0.04055555555555555,0.012500000000000002,0.019591836734693877,0.0,0.0,0.0,0.0,0.27119537208822925,39.63941002566358,57.38537671807842,79.27882005132716,5.662772860809083,39.63941002566358,2.220446049250313E-16,1.586032892321652E-17,-50.46111474476402,90.62870966213822,6.473479261581302,6.309479465155947,0.0,213.63086736053353,4.807354922057604,4.343805421853684,5.209486152841421,6.089044875446846,6.9726062513017535,7.85979918056211,8.747828608488742,9.636979715315753,10.526239092474103,11.415918847028077,100.80170814531249,3.4965075614664802,0.0,4.795790545596741,0.0,6.340359303727752,0.0,7.99598047476376,0.0,9.705219523912486,9.90862433664128,192.187800768,5.057573704421053,29.513870834513465,2.1081336310366763,0.0,0.0,0.0,271.0,22.0,7.042,76.0,1.2715773468219997,2.1942845014803627,2.918574977687795,3.662546804869237,4.701983978192883,5.551226176127367,6.560309064509966,7.340796699406297,8.044090481064835,0.0,95.18852158538789,109.23275010796627,98.74512152552583,97.74411769701265,89.75838866432933,71.27268289496249,48.41006511806255,24.04341525351455,8.173310750552659,0.0,332.33102368471634,432.41872792224046,433.0849280944218,478.0153417309782,496.494883707376,480.0097474478098,428.8659835730117,353.26775870183474,250.04045269269818,0.0,9.305947393748843,15.80394069553937,20.66170916123169,25.81763308726439,32.81807619743251,38.476408019913514,45.01130475061113,49.91576462496928,54.043932309776764,0.0,2.4274995327698736,3.3770793192108393,3.596868715142667,4.14245993876583,4.556743455495959,4.710315537429175,4.611857733709393,4.2640834331195645,3.576506435654425,0.0,178.81079727469867,325.9272001228163,459.8549823317259,584.5022193623105,774.7753647395759,934.4787478869429,1139.5142606725567,1309.898845091438,1487.4943244291208,0.0,2.2305725630530007,3.4577070542114337,4.157455704742122,5.126764437690126,6.236752408902587,7.050150872064917,7.761665754592822,8.088459674255557,8.044090481064835,0.0,0.49989675758737456,0.7044406361757887,0.759596692239715,0.8810936857622963,0.9794346211967714,1.0236311333242918,1.017560556250979,0.95745443269772,0.8237148652610391,0.0,426.38035833724797,278.0670590113686,11.466963955837146,77.96120696778522,-50.84296946287091,-3.82991806998097,348.4191513694627,328.91002847423954,15.296882025818116,0.8454198259058161,0.5513467025926954,0.022736503878877715,0.15458017409418381,-0.10081058742822502,-0.007593897337540639,215.0413373391286,140.24077580156066,5.783266550783302,39.31907715520246,-25.64222280366032,-1.9315868744042342,0.04658606031827157,0.08057454881972832,0.4740663745113432,0.17991122406527774,504.3415653050332,0.0,1.0,0.0,1013.6147844398878,31.837317481846483,10.045178200447193,1246.1036504027913,35.300193347951954,10.760969226281139,2013.3401465063646,44.87025904211346,12.627160999113883,1.5714954999817194,1.5659073751505652,1303.6638387853473,995.3524212028117,387.078071595559,1.3097510098081275,3.3679609733808142,2.5714513278933873,5.0981643771419956,5.18858057006725,9.06090046425107,0.7463158453244622,6.693613302798598,13.458331268261869,9.341039960164165,61.045689785269474,18.535670592459407,17.189471762110134,29.72377917768583,20.00566798447667,27.32571132687817,9.703077256046761,17.16166201556063,11.766312409992581,6.1247941608161725,5.32664831849184,3.8277473295109306,0.002960686514990608,0.6901221592983773,4.23094599465853E-9,5.0029354110669496E-39,1.1410067539475814E-90,5.019118380428534E-164,4.258361902466124E-259,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5617485998768758,13.457908957003161,0.6201085574875201,17.48828581714532,4.727583527410984,1.1762994236922804,2.891646195114977,1.5714298525305803,7.3500710417941555,0.3840565312724519,0.6979802413450377,2.390586957863572,0.840122679102454,0.2950727354393533,0.16083031842184492,2.0852370440414305E-5,0.00486058679597366,2.9798898584886015E-11,3.5236083166585334E-41,8.036203862795487E-93,3.535006114300408E-166,2.9991991065244423E-261,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8133929124598203,13.45793812163,2.10863440292419,21.335278219687623,5.880329198984617,3.8769022506343367,6.7954964109623,4.610034327278393,10.549651690011688,1.4669415677333855,2.6865337442258346,3.5894675643742264,1.5596210276289748,1.0526588638806271,0.6248759521144406,2.1729767334378446E-4,0.050651061946163416,3.1052749832608525E-10,3.671871537587395E-40,8.374344019607498E-92,3.6837489215050457E-165,3.125396708465047E-260,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.318224939543961,13.458285236477291,8.703991597941771,56.59473577839179,17.10105186904663,16.008207676996662,27.524603268658357,18.620933316569868,25.79225441395303,8.84272316908998,15.668386702460154,10.939427564951213,5.674191720781314,4.923290822178478,3.5026322027060153,0.0026379183911236044,0.6148864192912545,3.769696709224876E-9,4.457525380700539E-39,1.0166164756037496E-90,4.4719441150509345E-164,3.7941237894979825E-259,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6726074942678175,13.457975078025905,3.2170434536128014,25.47378661428776,7.166257313513958,5.899440413357564,9.942471017683594,6.910975919460094,13.006722283423365,2.453582977858758,4.458998958621716,4.624731562338796,2.1601926846079014,1.6527279404298,1.0278879154337757,4.7199955069226904E-4,0.11002087487766353,6.745072211066624E-10,7.975795639450688E-40,1.819019424593791E-91,8.001594904454584E-165,6.788779287008417E-260,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.083507447809522,13.45852461406245,11.81687282074148,79.55162234216886,24.516521082146074,21.791323643757377,38.498237947483894,25.423617378933226,33.356032486513605,13.217684456056508,23.241701488417117,15.11505472138532,7.937460428438993,6.928337409523555,5.145759088142939,0.004317882988972855,1.0064783105706818,6.170437102250172E-9,7.296311113302261E-39,1.6640511170231594E-90,7.319912453215217E-164,6.21042062719741E-259,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.671677982014381,13.143297413314246,6.016846979901495,38.61468457093182,11.366338161152251,10.556431364032598,18.32057332241912,12.888123356145423,19.49541288794468,5.4693619823771344,9.700609179334256,7.825103817176232,3.9359807182838096,3.319271179090914,2.22735112562397,0.0014035611836251112,0.3271635283532215,2.0057481146405925E-9,2.371722135211528E-39,5.409126347657976E-91,2.379393932565421E-164,2.0187450674416125E-259,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.878800659637146,2.511237096042081,0.7303077139027818,0.6445809184798977,0.2753445145710223,0.5322490470523643,0.48974166099825506,0.40304843200265983,9.12034546958201,20.89037158962558,40.792295335327665,0.46687137771984666,1.4250391400532791,4.974003131292501,1.8094596308309425,0.2048400418734877,0.7117612488754266,0.2589269070876593,0.38100107462048644,0.25428460312419954,0.03170229214445165,6.988302803996931,10.389782665941093,19.221698668839657,0.5676418733131399,0.6669879698891377,5.316316864832794,2.0749684615336337,0.4036449902420143,0.6820223720929827,0.2661946133261199,0.4352558062271521,0.33437499171384394,0.12311067088536366,7.7949303166084425,14.014645119484534,26.262259945785694,0.523033558139474,0.8927414688263596,5.85459994958653,2.4924670158474944,0.7162533786763963,0.6459663486782744,0.2750059493888643,0.5278751825900292,0.48244885909959706,0.3876831649367113,9.063320344110421,20.571012181357084,40.08618636974605,0.46894952301741155,1.3980072066263376,5.475890166238455,2.1987365791196916,0.49631847117368366,0.6701660604894747,0.2690920720740003,0.4617813964409401,0.3754497196560256,0.18613688730683575,8.17094521653183,15.849099024835118,29.995738492868835,0.5052490907342122,1.0233680034038013,5.955210632568147,2.570500555836939,0.7746819549293695,0.6403181608334714,0.2763862254230837,0.5461773215468713,0.5131264395120431,0.4535218056492499,9.300393143334457,21.91258685173932,43.07171238865106,0.46047724125020717,1.5128255667081643,5.867537003176842,2.500149882478043,0.720664758379443,0.6456106930048578,0.27509387624973364,0.5302115245286781,0.48542752360691677,0.3924756341483126,9.08835164403433,20.700018996573462,40.360322264425704,0.4684160395072869,1.4081146822839075 +UMLCN0418,L,propyl laurate,CCCCCCCCCCCC(=O)OCCC,Esters,,C15H30O2,BioCompoundML (2016),Unknown,PubChem,,71,0,-2.822099999999999,7.964248409999994,56.4665,48.007789999999964,0,0,47,17,30,0,15,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2706.3797369999975,2815.1381800000013,3243.7411320000006,3062.0846149999975,2849.6376499999974,2663.003256999998,2318.4879629999973,2079.4466419999953,1882.6899129999958,7718.047413096562,9856.006720084311,12896.62081645844,13255.924774750976,12376.88312725151,11635.559483410718,10761.853477469993,9695.516707224051,8688.718362268903,341.36509199999995,341.65732000000014,643.9311120000011,856.6794200000023,785.7231680000017,716.5759960000014,694.2375000000011,643.2498800000006,580.3649800000002,56.458295145470046,73.68004929999998,105.10489637928185,113.58677722814774,104.7271163973558,98.77977932026181,92.95921868626185,85.00106329795982,75.97953443856392,7820.347473682471,6702.033045802002,13828.27231502708,19778.57199088122,17935.827537796198,16297.096987185165,15895.898483950512,14970.896410968962,13491.941255930367,129.02777777777777,101.75,179.83333333333334,210.91666666666669,205.75,191.83333333333337,180.08333333333334,152.83333333333334,140.58333333333334,57.58254759574463,61.19865608695655,36.86069468181819,25.731803487394938,26.385533796296272,26.89902279797978,24.150916281249973,23.104962688888836,23.24308534567896,164.21377474673537,214.26101565400677,146.55250927793682,111.3943258382435,114.60076969677324,117.53090387283554,112.10264039031243,107.72796341360056,107.26812792924571,7.263087063829786,7.427333043478264,7.317399000000012,7.198986722689095,7.275214518518534,7.238141373737387,7.231640625000011,7.147220888888896,7.164999753086422,1.2012403222440435,1.6017402021739127,1.1943738224918392,0.9545107330096448,0.9696955221977389,0.9977755486895132,0.9683251946485609,0.9444562588662202,0.9380189436859743,166.39037178047812,145.69637056091307,157.13945812530773,166.20648731832958,166.07247720181664,164.61714128469865,165.5822758744845,166.3432934552107,166.56717599914035,2.745271867612293,2.2119565217391304,2.043560606060606,1.7724089635854343,1.9050925925925926,1.9377104377104382,1.8758680555555556,1.6981481481481482,1.73559670781893,0.30384913294323107,-0.16332188368024314,0.033824375323771354,4.887938205070656E-4,-0.03377988668908116,0.022006237683111624,-0.016143943300799046,0.002061755288480343,4.629648039698579E-5,1456.1836857446824,-19.638600856497966,-354.762677266638,131.14231732729758,-73.67471422181961,-117.43366256858286,-226.8156324146666,9.366062616569003,7.2765000995927736,2283.9921679398444,-154.2459010923128,-912.9459011666656,148.37140428119952,87.95936401404192,-158.84392699910268,-213.0397582206287,8.978794699438417,8.700343350096936,2.193122553191486,0.0506116287913112,0.8372178578542357,-0.07376016659121887,-0.44841795201448276,-0.23713797374377504,-0.37846019375282813,-0.06783774015391816,-0.08448422996831309,10.140223492616792,-1.046589602826636,-4.288862373509874,0.2717280699396944,0.8412747343195022,-0.6620254085425521,-0.4879175466082893,-0.037678638627507824,-0.03832528240731033,55.89156016476573,-6.292222563537149,-23.221532216127677,0.7322321954542432,5.15262736396779,-3.615663216503106,-1.9894699172135066,-0.3769369013381181,-0.38734058882983513,41.42434988179663,0.450518082591416,11.191288164579236,-0.06259745485638835,-6.618718877320069,-2.4966802474724537,-8.23377848196773,-1.6140033197525172,-1.9689150445148549,0.006464875169004916,-0.0035504757321791988,3.843679014064927E-4,4.10751109669803E-6,-3.1277672860260334E-4,2.2228522912233964E-4,-1.6816607604999007E-4,2.2908392094226036E-5,5.715614863825406E-7,30.98263161158899,-0.42692610557604277,-4.031394059848159,1.1020362800613241,-0.6821732798316631,-1.1861986118038672,-2.362662837652777,0.10406736240632226,0.08983333456287375,48.595578041273285,-3.3531717628763653,-10.374385240530291,1.2468185233714244,0.8144385556855733,-1.6044841111020471,-2.219164148131549,0.09976438554931574,0.10741164629749304,0.046662181982797576,0.001100252799811113,0.009513839293798133,-6.198333326993183E-4,-0.004152018074208174,-0.0023953330681189397,-0.003942293684925293,-7.537526683768685E-4,-0.0010430151847939887,0.21574943601312324,-0.022751947887535564,-0.048737072426248564,0.002283429159157096,0.0077895808733287235,-0.006687125338813657,-0.005082474443836347,-4.186515403056425E-4,-4.731516346581522E-4,1.1891821311652282,-0.13678744703341628,-0.2638810479105418,0.006153211726506245,0.04770951262933139,-0.03652185067174855,-0.020723644970974026,-0.004188187792645757,-0.004781982578146112,0.8813691464212049,0.009793871360682957,0.12717372914294586,-5.260290324066247E-4,-0.0612844340492599,-0.025218992398711653,-0.08576852585383053,-0.017933370219472413,-0.024307593142158704,-0.5491947855701124,0.05945480637418946,6.353581452571596E-4,-0.04838093859912015,0.03438352996946639,-0.026012269634569672,0.003543516540591167,8.841028967161268E-5,-0.013779530122817326,-0.1301178708893219,0.03556948595835577,-0.022017925668279825,-0.0382859218246707,-0.0762576551686148,0.0033588935798273536,0.002899473992043716,-0.06900158199637925,-0.21348414112327463,0.02565703657877007,0.0167595198681216,-0.033017080478790144,-0.04566596874815985,0.0020529519262963325,0.0022103172886690633,0.023579111671561587,0.20388757853855813,-0.013283419385056302,-0.08898036692195088,-0.05133349891357417,-0.08448584094028552,-0.01615339524102722,-0.022352473469382666,-0.10545542230827268,-0.22589663883656255,0.010583708589709608,0.03610475659762518,-0.03099486822485554,-0.0235573011812054,-0.0019404525362475453,-0.002193060818149124,-0.11502649043286932,-0.22190128912547327,0.005174322389520754,0.04011960100895806,-0.030711738525672567,-0.017426804883679023,-0.0035219060923341763,-0.004021236489199896,0.011112110516292661,0.14429110624002914,-5.968316845927305E-4,-0.0695332191943694,-0.02861342775738548,-0.09731282993294378,-0.020347172682741135,-0.027579355643273386,1.616074827434925,0.9666913687306516,1.0234349164581573,1.2506221530853292,1.034130552068787,0.9605815320831362,0.8035254950446757,0.8715976356601408,1.2634713388229704,1.2191730869986146,0.926583226362872,1.02870212489244,1.0339736590636233,1.060805545149194,0.9282209130229901,0.9369268127794337,1.5011365895023971,1.3705464077898604,0.9303693597281512,0.9403032676392896,1.0232206266058808,1.0131057994422887,0.9518775844300252,0.9456885429301878,0.726104429359247,0.7105537915274377,0.9831524670619879,1.3202717283127081,1.0843822974080863,1.1462297769642753,0.8173219086651765,0.8958531074617261,1.6002113054559097,1.4081079991899856,0.9419468768674599,0.9175308304887045,1.0227444612690373,0.9897783533314458,0.952925148171085,0.9460765295009516,1.6163830040557177,1.4073549518104924,0.9465317632275441,0.917608264494721,1.0237466007695504,0.9850426702419823,0.9507204412699479,0.9452599713894178,0.5833927807105158,0.5044031050986402,0.8367316451477165,1.2989616524785612,1.2857196591395497,1.3919282351262683,0.8122794502306571,0.8956780435736077,180.44121608121384,90.47060804060695,144.1519048532527,180.88239255180213,10.6401407383413,90.47060804060695,0.5000000000000568,0.153695218452374,0.009040895203080823,-3.1837323555098456,120.12067493256457,7.065922054856739,8.140444665261557,180.46114045866085,90.47983580842904,144.16397122760594,180.90102089236427,10.64123652308025,90.47983580842904,0.49853115819723826,0.15353038070889896,0.00903119886522935,-3.185556579738309,120.11612480459351,7.065654400270207,8.14038026865321,198.27657020613853,98.7392906250112,155.3134120450307,197.5724623036831,11.621909547275475,98.7392906250112,-0.7979889561161428,0.007884842718580531,4.638142775635607E-4,-8.23278210965669,147.36064498696788,8.668273234527522,8.487901014056181,180.4820519088678,90.48952075465282,144.17663632665798,180.92057214454826,10.642386596738131,90.48952075465282,0.49698960043782847,0.1533573801291816,0.009021022360540094,-3.187473248007321,120.11140843359246,7.065376966681909,8.140313516681903,217.45388140712532,107.64464643922344,168.1384691285077,215.54395035240907,12.679055903082883,107.64464643922344,-2.1645885286784363,0.14144837083479278,0.008320492402046634,-3.324894848139771,137.58317308876872,8.0931278287511,8.371188670017942,182.53003899669181,91.43815368422423,145.42171195626977,182.83556991294768,10.75503352429104,91.43815368422423,0.3462683717566648,0.13643165965981768,0.008025391744695158,-3.3862834676570044,119.93865251246226,7.055214853674251,8.13786665109507,185.65777698937177,92.98069242153024,150.3501224298848,186.41945766164062,10.96585045068474,92.98069242153024,1.1771428571427691,0.24372583479246063,0.014336813811321214,-2.399909232664042,135.64550064617868,7.97914709683404,8.34707627850677,0,11.890000000000008,15.995922182319106,-0.3156859285386591,0.26150694667941693,4.271284523167127,7.584582593123573,16.0,46.0,45.0,45.0,15.0,1.0,1.0,0.0,0.0,1.0,35.67020999999999,3.581188007944302,3.4884825334723293,3.333162504417028,3.191930889779097,3.0127422539492077,2.7309900096841724,2.4508229141596116,2.3172882818932035,1.9390471937201517,1.843040571867102,1.7605552648508023,1.6782809517528237,1.488235892960925,1.2858566962896159,1.182195573201818,1.0472724920585492,3.565659012838903,3.463777858776076,3.328703739673835,3.2133152576788997,3.0020498828692053,2.7266828721098193,2.466956096289154,2.31712728154868,1.8838362753403397,1.7981519586894719,1.714564013845523,1.613521693647156,1.4343410568533428,1.2391375193759713,1.0978251067899059,0.9573358520108982,3.697998585349567,3.6195684785260465,3.4968460161011214,3.373614848519323,3.1938345317774295,2.955380930525551,2.735130527423943,2.5964586524650595,1.706999585794878,1.6018237443234862,1.4884257254570896,1.3929409375713762,1.1820044168576402,0.9388110347076164,0.7503678109454082,0.6065089880178015,3.582250553720232,3.4717593938724267,3.3376256727399594,3.2357372488510157,3.01386435458857,2.7394040679368516,2.494625785353699,2.347021822364253,1.8522167801499776,1.778622635353154,1.6835660536743067,1.5723672788453207,1.4036370762909505,1.2054479918670604,1.0394412239080693,0.9027085644004449,3.74765367893193,3.6615897133430564,3.555177613588412,3.442916165386058,3.2565483514952196,3.0319993448920615,2.8402648646002593,2.6982329943916676,1.6544352558000694,1.552983552437507,1.4330269909084061,1.326740133310252,1.1189778213097972,0.8667947592759248,0.6494371151079935,0.5032514877756143,5.114523504308933,3.580686962124185,3.5253604705905937,3.4489910497771,3.244140656138409,3.0259083042877224,2.923664376316036,2.6395371122320515,1.8090363039604942,1.6816842567870927,1.5247725755852166,1.474124283259942,1.2398498119430106,0.9839406071419676,0.8178950802778402,0.7157665929569884,0,0,1,0,0,3,11,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4505237851453038,0.08333333333333333,0.08838834764831845,0.09196278254943947,12.769738424614747,8.308060412490448,5.86450250005163,3.8509536313039003,2.5003828766652423,1.7028242655872445,0.9713526704200184,0.6243500601776564,0.7511610838008674,0.519253775780653,0.3665314062532269,0.2567302420869267,0.17859877690466017,0.13098648196824958,0.08830478822000166,0.06243500601776564,11.8017779551663,7.464690378025045,4.798897305203675,2.9516280866845843,1.8680640456572668,1.2081246384922568,0.7364219941986632,0.45822898591279504,0.6942222326568411,0.4665431486265653,0.2999310815752297,0.19677520577897228,0.1334331461183762,0.09293266449940438,0.06694745401806029,0.045822898591279505,24.557015265621775,45.978878368536094,43.580392156862715,44.20000000000002,27.93879640718567,361.7328682634731,0.522489686502591,0.9782740078411934,0.927242386316228,0.940425531914894,0.5944424767486313,7.6964440056058105,4.860500000000005,73.09400000000005,94.53376251044587,149.26644237480625,189.06752502089182,11.121619118875985,94.53376251044587,0.08485409666739735,0.004991417451023374,-4.193597412202775,122.21939520108799,7.189376188299294,8.169890176716695,361,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,12.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.211064104396087,-0.018707597300219536,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.303116316630823,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.267307202138829,0.0,13.707002957431975,0.0,0.0,0.0,0.0,0.0,0.0,-0.018707597300219536,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.186818421242643,5.024245683153442,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.024245683153442,-0.018707597300219536,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.21504972057856675,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.019664586166938,0.0,0.5796249055177627,0.0,0.0,0.0,0.0,0.0,0.0,-0.018707597300219536,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.186818421242643,5.024245683153442,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.186818421242643,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2476426159718907,0.0,1.388733806949619,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.186818421242643,5.024245683153442,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,34.16666666666667,2.009803921568628,0.5559027777777779,11.186818421242643,0.09577286848245059,-0.018707597300219536,8.452889908025517,1.6853742639668863,4.186818421242643,11.956742613069826,1.6853742639668863,4.186818421242643,11.956742613069826,8.16666,0.48039,0.0,0.01961,0.47731,0.7902,0.4283,0.47731,0.7902,0.049,0.0,-0.049,0.0,0.60794,0.10635,0.0,0.16327,0.06122,0.0,10.25,0.60294,8.75,0.51471,1.5,0.08824,-7.25,-0.42647,0.0,0.0,19.2459,1.13211,22.99979,3.7539,0.22082,7.25049,0.4265,8.30805,1.05757,0.06221,0.10595,0.00623,0.10595,0.00623,0.0,16.02,2,2,2,2,0,0,0.9333333333333333,1.133097855882247,1.6731846215259527,2.839699035582373,3.588155141303803,4.041959406362726,4.1521176397437305,53.25559922646561,78.63967721171977,133.46585467237153,168.64329164127872,189.97209209904813,195.14952906795534,0.20399311022633485,0.3012256471548934,0.5112347846816252,0.6459803303389561,0.7276793142199793,0.7475112471177192,4.4214909957953905,3.881404230151685,2.7148898160952646,1.9664337103738347,1.5126294453149116,1.4024712119339071,0.20399311022633485,0.3012256471548934,0.5112347846816252,0.6459803303389561,0.7276793142199793,0.7475112471177192,9.8270042805424,16.478041835075377,20.826867091482924,23.461974700674737,24.878190394219043,24.406806600958223,62.83123232785535,47.248745487950536,39.1966614936118,31.70551294339757,26.950217653582783,27.378789026176168,17.0,14.0625,13.937777777777777,17,3,12,2.8899999999999997,2.296500000000002,0.06666666666666665,3.997916121069248,0.30151134457776363,0.0,17.131707759702245,2.935542613222824,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,7.849,16.0,15.0,14.0,13.0,11.0,10.0,9.0,8.0,7.0,136.0,2.8903717578961645,2.9444389791664403,2.8903717578961645,2.833213344056216,2.772588722239781,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,5.017279836814924,1.1029411764705883,0.4666666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,0.8125,15.0,0.9375,2,8.0,15.0,0.875,1.5,0.666666666666667,0.375,0.24000000000000007,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.09375,0.041666666666666685,0.025,0.017142857142857147,0.008547008547008548,0.007421150278293135,0.00625,0.005486968449931412,0.005000000000000001,0.004722550177095631,0.22982949978546977,94.53376251044587,149.26644237480625,189.06752502089182,11.121619118875985,94.53376251044587,0.08485409666739735,0.004991417451023374,-4.193597412202775,122.21939520108799,7.189376188299294,8.169890176716695,26.3,282.94022278912274,5.08746284125034,4.174387269895637,4.844187086458591,5.541263545158426,6.2285110035911835,6.932447891572509,7.627057417018934,8.334471554600944,9.033006356693267,9.742673052026605,95.45800517701608,3.4965075614664802,0.0,4.574710978503383,0.0,5.7899601708972535,0.0,7.0707241072602764,0.0,8.390041405755754,8.707813551024888,242.2245802,5.153714472340425,32.6499295893422,1.9205840934907177,5.406730813840159,5.406730813840159,0.0,772.0,15.0,6.395999999999997,64.0,1.2418043478260865,2.140365051706316,2.865067578010919,3.631407510777759,4.9395230242502235,5.923675722580694,7.206472610148108,8.31089692563517,9.600223611653986,10.737612968578667,87.33010284515214,87.17512854500129,87.0986177307474,119.79156920341248,153.6620572792843,167.73280182517718,189.0872674153723,218.3686002232704,248.178685661573,278.96751546378914,291.4242086069012,334.33449594237,350.849895478735,486.0923767623998,636.834601051319,737.0094574951099,839.5806406672758,964.6673924745112,1089.037415038963,1208.3009855548903,9.270882947217398,15.734167322999962,20.694110816051513,26.610364710207303,35.87864836632301,43.0035242168177,51.6924949587095,59.77539130539183,69.20444161190724,77.7180772779502,2.1227683767586947,2.6758141791757737,2.9103562769744453,3.9588042061877626,5.267053284325459,6.198094076714379,7.19131261714891,8.251084323242768,9.320959686440895,10.307782950314005,178.84321008601745,333.09595420735445,472.44247696557784,589.2668346763273,803.8295038009176,966.1254578130242,1187.3599047994232,1369.8134758711287,1589.8406496650432,1781.4871735344661,2.823061594202899,4.528896670549659,5.2010984003126515,7.150180064650486,9.755342789694668,11.309613225449,12.517265982160048,14.754516297627973,17.420525626366892,20.135352250361365,0.45734135869565207,0.5927852714379015,0.6544550855437228,0.8902453772182614,1.1789779705196328,1.385686383512822,1.6017736541047702,1.8471275999343815,2.1021576929968746,2.3444031944746695,645.1543584734696,783.0812973394619,19.14199167765056,223.9027319555157,-271.77068482098025,-22.76003295501518,421.2516265179539,1054.8519821604423,41.90202463266574,0.7423613081103883,0.9010700286133284,0.02202616132871277,0.2576386918896116,-0.31271902365680987,-0.026189341535410905,560.6759696525322,680.542353835188,16.63548359239485,194.5842567723615,-236.18424061441397,-19.779768017953316,0.2153993406483446,0.2600280929432374,1.0567469310260467,3.8137320055651305,820.0088605875827,49.04822984140281,0.9435615561030731,0.05643844389692688,1144.7187129446145,33.83369197921821,10.46083280377357,1435.3297953982437,37.88574659945669,11.28021126192486,2032.1649647517797,45.07954042303204,12.666393811319855,4.615298801063187,4.615298801063187,7742.175491477042,7657.634132440791,131.23385306050932,1.0110401408025096,58.99526159540007,58.351057702390314,7.169871570271741,10.289744373614983,19.626780634668755,0.907411877499683,8.380242660651206,12.829684150040695,5.911101957126789,56.035635153354285,20.450980871763743,1.6801911849188913,10.699491868264984,11.053419836868136,38.597892091495794,1.5212594372434276,6.303403160804871,33.26258240629095,7.126532374718263,31.43281052414991,3.329249388424011,10.692646159816952,14.89189993527416,6.56740306917822,19.572832753653234,3.7863773490061896,16.799531309710442,7.638130480034311,7.089459147407863,4.944539836926543,3.3833714745494468,18.290412226937026,4.177334567863393,6.036488836138428,0.011326595414532868,0.4901587732664866,0.7198032163159573,12.980270333493708,0.4855622416849469,12.584802996785537,0.22398038166546483,1.6888745243569336,1.5611036703823762,0.693269009727747,11.278049308917073,0.08717758923621362,3.8168146993772494,2.9085149409653033,0.4525451390113942,7.301887094531857,0.07666109495728951,3.970507838240504,0.760451514689277,0.5358401885569457,4.249680693318534,0.10656745674755147,3.985988661869782,0.367153523702063,0.6964556093174973,1.5529222151022244,0.13010959722891705,3.7495182441842356,0.18129121502281814,0.9795721865090881,0.0011041490787566223,0.024935982099175313,2.276195089264372,12.699213857935002,1.3283996858901,15.530426652240845,1.5991787812988378,1.5127973414629887,3.0425187723152747,1.7542196986867358,13.426013375126605,0.30352664195744167,3.8259046834841355,7.246902504536297,1.1272398679992413,10.657387834727276,0.38106232346101127,4.646321983507187,2.3820527201859125,1.1204612083261287,6.555457512220762,0.4831762376864796,5.480737687411876,1.1605050543861242,1.3140023760581043,2.126376278762336,0.5213738525528371,5.402237448153786,0.6960234928992483,1.5501945670748678,0.0020366631976727763,0.06497486276547007,7.915380571576188,12.980206574703738,6.044678681756138,53.07017053888262,18.487392040195804,1.7681365082387668,10.413920708770032,10.93870085396141,37.700101813298204,1.4170654727676415,6.29763481705926,31.113087434427733,6.476075736858959,30.127757342967328,3.0029415072446306,10.503105632140182,14.141124828725031,5.970378096586662,18.691511212552108,3.4286096546737483,16.26888025197216,7.4013913309387735,6.456788893835652,4.866409503511893,3.0877029781257264,17.910436876768728,3.8264772723468363,5.848120604893767,0.010556304064816445,0.5030580990413378,3.347111017970469,12.592445228395112,1.8438022276524013,18.981191272245674,3.29771659586807,1.4513470458618913,4.1032770167988115,2.569252111035316,15.723449453179576,0.4720291372647754,3.996277657949888,10.794513965569779,1.7943570040559718,13.341568815374094,0.6967735653054349,5.329020887728993,3.736492394255583,1.7138014588804995,8.344987249192586,0.8529087640149186,6.822942702324205,1.7959340696062849,1.9420931140838236,2.5374834387048586,0.8709632328826691,6.8356704011661735,1.1387037790159293,2.007817807033051,0.003031554459091953,0.09335028875078238,10.12037969417283,12.925330360757481,7.737588206477497,75.887926107604,29.81260671070801,1.7829324463085918,13.361517586817582,15.43466723301985,49.59422483319748,1.9797748784908087,7.303361713563805,42.85148020747763,9.815782257334341,39.271845026778486,4.681831609849268,12.86140882095447,20.357462871220786,9.039940240796778,24.28356054913135,5.261465223436188,21.033333118145585,10.582594036392711,9.71278126323444,5.8299727500497704,4.587674304096283,23.29447496874122,5.59805264818987,8.04099603480228,0.015283968228747242,0.7052686338199304,5.439688375246345,12.833108045509961,4.775140371185502,39.18771528060099,9.964381977116597,1.9075785958392109,7.982498031160542,11.077606181341793,36.37999997816893,0.9241602037627511,5.72072274762831,20.96505993361864,3.381799352877546,24.06799945263278,1.4764010012591284,8.633471445754635,11.11271888432949,3.144968238960978,14.776261113587228,1.7297524250081662,12.2570667933886,6.7003774356874795,3.462839323334893,5.133162208582028,1.636782135281742,14.293212938718986,2.0760186376205447,4.065036357787265,0.006707975372890399,0.381580247248909,34.96863395441444,0.8099640211308012,0.4928719212765958,0.964080972011516,0.022330609248393637,0.5475395629583046,0.6306274680060566,0.5957333234902875,36.27146989682184,45.957601695958495,96.18884831412957,0.9461214580172741,1.7739003544546488,31.90700413987782,0.44924078636439724,0.09632842886597956,0.9831887225317834,0.013842994250367651,0.45587106525909227,0.19300292779289732,0.022755830655983546,32.4525733551082,17.450753868078525,51.28409195129514,0.974783083797675,0.6716298237079731,33.29503341724007,0.5518212490810755,0.2555569205974154,0.9763248951582008,0.01618129696413465,0.49638087963776373,0.292699452110382,0.1601618335523307,34.10241158691856,27.02270487893086,65.82043998291917,0.964487342737301,0.9492421653004764,34.78690152046417,0.8072006916747654,0.47556296581285906,0.9644364966750029,0.022378934977421994,0.5418598324531869,0.6262625694848576,0.5546254486120913,36.06966517795179,45.00724778199147,94.43072625620005,0.9466547450125042,1.7227478505501357,33.90682745699638,0.6125239680964594,0.3310539721057916,0.9729249077751589,0.017575806109437556,0.51479736979348,0.3605924538952523,0.2687703429560696,34.850405397198635,32.19651290331411,73.92249366272962,0.9593873616627385,1.1441601666448018,35.15161238314946,0.8460679913743814,0.5214548092940865,0.9625532534167339,0.023167799213089917,0.5532837498300174,0.6881034365435731,0.6668330152238979,36.51913518381793,48.51181763730891,100.5393599240411,0.9438298801251008,1.9082202015974883,34.866257481074385,0.8146154696958003,0.4783654705427396,0.9642420306209647,0.022528557161636757,0.5443339282606867,0.6376190098057332,0.5611815534357313,36.15923842131293,45.47109029295101,95.21714834276001,0.9463630459314472,1.7431344915021514 +UMLCN0419,L,propyl myristate,CCCCCCCCCCCCCC(=O)OCCC,Esters,,C17H34O2,BioCompoundML (2016),Unknown,PubChem,,71,0,-3.398100000000003,11.547083610000021,62.2897,54.19496199999996,0,0,53,19,34,0,17,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2998.972234999997,3152.0947740000015,3631.1582060000023,3455.5980729999974,3243.1511079999977,3056.5167149999993,2712.001420999999,2472.9600999999984,2276.203370999997,8689.416194318957,11161.986989065046,14723.715039783116,15269.521464661235,14390.47981716177,13649.156173320976,12775.450167380255,11709.113397134312,10702.315052179178,383.3199799999998,385.2088800000002,729.390128000001,982.4492200000028,911.4929680000025,842.3457960000021,820.0073000000021,769.0196800000017,706.1347800000011,63.81454676486605,83.71202653999994,120.4802766689798,131.62983494693975,122.77017411614774,116.82283703905372,111.00227640505375,103.04412101675175,94.0225921573558,8813.606793959467,7568.111948833603,15676.676712958772,22736.482300958378,20893.73784787336,19255.007297262327,18853.808794027686,17928.806721046138,16449.851566007557,137.52777777777777,112.25,198.33333333333334,235.41666666666669,230.25,216.33333333333337,204.58333333333334,177.33333333333334,165.08333333333334,56.584381792452774,60.617207192307724,36.31158206000002,25.223343598540126,25.73929450793649,26.12407448717948,23.789486149122798,22.89777870370369,22.99195324242421,163.9512489494143,214.65359594355857,147.23715039783116,111.45636105592142,114.21015727906166,116.65945447282886,112.06535234544083,108.41771664013251,108.10419244625432,7.232452452830185,7.40786307692308,7.293901280000011,7.171162189781042,7.234071174603194,7.199536717948736,7.193046491228089,7.120552592592609,7.132674545454557,1.204048052167284,1.609846664230768,1.204802766689798,0.9608017149411661,0.9743664612392678,0.9984857866585788,0.9737041789916996,0.9541122316365902,0.9497231531046041,166.29446781055597,145.5406144006462,156.76676712958772,165.9597248245137,165.82331625296317,164.57271194241306,165.38428766690953,166.0074696393161,166.16011682835915,2.5948637316561842,2.1586538461538463,1.9833333333333334,1.7183698296836984,1.8273809523809523,1.8490028490028494,1.794590643274854,1.6419753086419755,1.6675084175084176,0.31233480684405895,-0.1633218836802428,0.02958153837340229,4.887938245827151E-4,-0.033779886445485824,0.022006247421784704,-0.016143680615842558,0.0020665286601248807,1.0337719758664863E-4,1618.8403699245246,-20.171730869347783,-438.5244857443929,132.30323785546398,-69.53255038661428,-112.29739519188297,-223.33117606407973,9.494475927376016,7.851242178710891,2584.3266715621958,-154.7545312676869,-1065.3336393234617,147.6509340123192,88.07375510268699,-157.72189100325625,-212.79421893698571,8.120734372570404,7.901759993539962,2.2345852075471635,0.05442779636880969,0.8320414951940155,-0.04838500818796687,-0.40735607831968834,-0.20428326949092324,-0.3466696162335352,-0.050688045567815004,-0.0637788593805605,11.482504831631228,-1.0444577705138336,-4.950803240168147,0.2766809661340766,0.8448534004365229,-0.6627327368648179,-0.48569082544667747,-0.03304526595265726,-0.03355378717358408,63.18692769039717,-6.270901327310006,-26.777437534582333,0.7859635395182458,5.197226341699449,-3.6140659699257403,-1.9601334022763925,-0.3283462900040697,-0.3365277587364155,41.96750524109018,0.5638523001463547,11.165084450773287,0.3774969344567079,-5.82369170523321,-1.7270084252996298,-7.472558443099596,-1.2293817491396677,-1.508484632728134,0.005893109563095452,-0.003140805455389285,2.958153837340229E-4,3.5678381356402564E-6,-2.680943368689351E-4,1.8808758480157867E-4,-1.4161123347230313E-4,1.9134524630785934E-5,1.0442141170368548E-6,30.544157923104237,-0.3879179013336112,-4.385244857443929,0.9657170646384232,-0.5518456379890022,-0.9598067965118202,-1.959045404070875,0.08791181414237051,0.07930547655263526,48.76088059551313,-2.976048678224748,-10.653336393234618,1.0777440438855417,0.6989980563705317,-1.3480503504551815,-1.866615955587594,0.07519198493120743,0.07981575751050467,0.04216198504805969,0.0010466883917078786,0.008320414951940155,-3.5317524224793336E-4,-0.003232984748568955,-0.0017460108503497712,-0.0030409615459082036,-4.6933375525754634E-4,-6.442309028339444E-4,0.21665103455907977,-0.020085726356035262,-0.04950803240168147,0.0020195690958691725,0.006705185717750182,-0.005664382366365965,-0.004260445837251557,-3.059746847468265E-4,-3.3892714316751597E-4,1.1922061828376824,-0.12059425629442319,-0.2677743753458233,0.005736960142468947,0.041247828108725786,-0.030889452734408036,-0.017194152651547303,-0.003040243425963608,-0.003399270290266823,0.7918397215300034,0.010843313464352975,0.11165084450773287,0.002755452076326335,-0.046219775438358805,-0.014760755771791707,-0.06554875827280347,-0.011383164343885812,-0.015237218512405394,-0.5329623387723892,0.05019682403098595,6.054253866215566E-4,-0.04549284787573408,0.03191652603566776,-0.024029967872838856,0.0032469317642781466,1.771923813492387E-4,-0.012700232309897207,-0.1435706582084831,0.0316170793468801,-0.01806714198434571,-0.031423580212234375,-0.06413813761056454,0.0028781875199732445,0.0025964204595945646,-0.061033530196306536,-0.21848121410290763,0.02210263700579504,0.014335222166493277,-0.02764614449106619,-0.03828101405862133,0.0015420555168998821,0.0016368809696568347,0.024825405884347652,0.1973440041415475,-0.008376627472481555,-0.0766800885888967,-0.04141196977228479,-0.07212567298342017,-0.01113168070057805,-0.015279899703479264,-0.09271004127403773,-0.2285150980351347,0.00932176068293108,0.030949243936897554,-0.026145189557455418,-0.0196650149671441,-0.0014122927470415036,-0.0015643919903603877,-0.10115218158606208,-0.22460408207955126,0.004812053674150446,0.03459789816770446,-0.02590948879403153,-0.014422130080404279,-0.0025500986907543437,-0.0028512436348685083,0.013693823597787414,0.1410018233134347,0.0034798103724857517,-0.05837011478667972,-0.01864109032478287,-0.0827803360838596,-0.014375591466782077,-0.019242806464626245,1.61292124636703,0.9779041053004264,1.0085556822000918,1.212497821184911,0.998518792813822,0.9267549922879078,0.7756153083809633,0.8269549848302034,1.2860924447399777,1.2465062351602227,0.9319485368957768,1.0200592885172761,1.022596655729327,1.044814769904023,0.9305841598822167,0.9366200300215397,1.5009089535747955,1.386144495780752,0.9396320730267842,0.9490236553766153,1.0198573309055396,1.011284298802255,0.9602601788065278,0.9560443333174512,0.7338578965176416,0.7158064031739277,0.9635687725288941,1.273052827104143,1.036857207302924,1.0902659393441165,0.7760948511682431,0.8354997552269386,1.5884468685080342,1.419324083699133,0.9498599034127587,0.929799165145034,1.0197382426019854,0.9919917333204306,0.9615503020950181,0.9568887776517355,1.6027997720290221,1.4183320738996419,0.9534610773834575,0.9292832266242246,1.019989090984506,0.9873022909897664,0.958832777951075,0.9551100345757005,0.5877563253990054,0.5076679071858526,0.8200064575304332,1.2521655563841532,1.2244923445812614,1.3187590952053552,0.7667601912675214,0.8302078153465613,229.31866441139798,114.90933220569889,183.45336646267123,229.7660328324504,12.092949096444759,114.90933220569889,0.49999999999980105,0.14302085802069414,0.007527413580036534,-3.6950531182410415,147.1522576931094,7.744855668058389,9.48378885298854,229.3394218877473,114.91897652297232,183.46567784290028,229.7854760819239,12.093972425364415,114.91897652297232,0.4985311581973235,0.1428764270513581,0.007519811950071479,-3.696972820731496,147.15419214584242,7.744957481360127,9.483813830084319,247.9133711866411,123.5576911152626,194.77918484451376,247.19938106801106,13.010493740421634,123.5576911152626,-0.7979889561159013,0.014102191528032881,7.422206067385727E-4,-8.09670762569556,181.66850884499746,9.561500465526182,9.884148928112308,229.36120774062817,114.92909867053301,183.47859993426852,229.80588264628307,12.095046455067532,114.92909867053301,0.4969896004378427,0.14272484159047244,0.007511833767919602,-3.6989897053489713,147.15627468074027,7.745067088460014,9.483840718807297,267.9416741214202,132.88854279637087,207.6747663725007,266.0049370168132,14.000259842990168,132.88854279637087,-2.164588528678479,0.12229474620275238,0.006436565589618547,-3.9925102714281553,168.93590048047125,8.891363183182698,9.74608677616768,231.4949897068143,115.92062903928547,184.74809423572398,231.80480877628077,12.20025309348846,115.92062903928547,0.3462683717566364,0.12788287144342886,0.006730677444390993,-3.907616951595972,147.62246730799623,7.769603542526117,9.489850424420988,236.39726625911587,118.33845338073863,191.39479807936618,237.20285867151924,12.48436098271154,118.33845338073863,1.1774042950511046,0.2228805866437354,0.011730557191775548,-2.852126360011826,154.91300019719768,8.153315799852509,9.581440973545758,0,11.890000000000013,15.995923191176153,-0.3156925399941823,0.2615140786576516,4.271744447764922,7.614130984041067,18.0,52.0,51.0,51.0,17.0,1.0,1.0,0.0,0.0,1.0,40.04303799999999,3.5822474133005744,3.5095388384614465,3.384246574274323,3.241997514680031,3.1160507828303925,2.9049538376839386,2.644447910229995,2.41972811765751,1.9468087569047678,1.871957193528116,1.7728735875305017,1.7338730585406343,1.5894170984703366,1.4135359906113003,1.2454843013450643,1.1690467981279344,3.573209725128574,3.492408692530391,3.37190695854868,3.2657922445254015,3.1200679499503328,2.8999016818195082,2.65088324400636,2.4376496474387883,1.8906975139912405,1.8216946528399998,1.7362917535809146,1.6655684157732449,1.528992386648501,1.358453325517222,1.192644006258183,1.075965502752491,3.7023567334048626,3.640318120941694,3.5366449621131317,3.4242795384895817,3.292156233552383,3.102253448756378,2.8862364007949926,2.70728947618292,1.7154245036714426,1.632565404985869,1.5180731226630046,1.4468737095197202,1.2964825521033563,1.0916830271504332,0.879634055539444,0.7297195475212325,3.5909260225051276,3.503913213049287,3.3778876910251894,3.287904577354945,3.137001652653717,2.9131225203689217,2.668008268606539,2.4690602243677553,1.8574904033464057,1.7976452863074628,1.7130103529819438,1.6219079690254556,1.4928459199259945,1.325890200967046,1.1516431732813053,1.0146524057293818,3.7540835991815813,3.6847700333652176,3.587657474236488,3.4949077581362475,3.3568659534197254,3.17046161555857,2.971501525708342,2.8150711300591325,1.6623395937718435,1.5817689354583109,1.4683997724688318,1.3799076976047493,1.2326890082267006,1.0247792973387377,0.8008094273346281,0.6245969217993731,5.136580975558609,3.59514572414001,3.5358898967229977,3.493194247304784,3.337597842277017,3.1323642102355036,3.000546932105237,2.84692538196329,1.8149577366441525,1.7180282804873803,1.5693038027784623,1.5078408406715305,1.3674269435179447,1.1506231109880836,0.930152520090071,0.8081514396276158,0,0,1,0,0,3,13,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4505237851453038,0.08333333333333333,0.08838834764831845,0.09196278254943947,14.183951986987843,9.308060412490448,6.571609281238178,4.3509536313039,2.8539362672585162,1.9528242655872443,1.1481293657166554,0.7493500601776565,0.7465237887888339,0.5171144673605804,0.36508940451323213,0.25593844890022943,0.17837101670365726,0.13018828437248295,0.0883176435166658,0.06244583834813804,13.215991517539395,8.464690378025045,5.506004086390223,3.4516280866845843,2.2216174362505408,1.4581246384922566,0.9131986894952999,0.583228985912795,0.695578500923126,0.470260576556947,0.30588911591056794,0.2030369462755638,0.1388510897656588,0.0972083092328171,0.0702460530381,0.04860241549273292,27.640670873193518,51.7545520757466,49.03137254901956,49.72000000000004,31.535905389221604,407.78937844311383,0.5215220919470475,0.9765009825612566,0.9251202367739539,0.9381132075471706,0.5950170828155019,7.694139215907808,5.640700000000007,82.32800000000006,119.14180738764105,188.67318461434542,238.2836147752821,12.541242882909584,119.14180738764105,0.08189346798900754,0.0043101825257372385,-4.754438489751746,151.73370408168688,7.985984425351941,9.542041371367105,461,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,14.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.284135459170734,-0.01594986205622062,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.727350708612468,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.285289734254723,0.0,16.61319133529743,0.0,0.0,0.0,0.0,0.0,0.0,-0.01594986205622062,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.240060447836317,5.044075011334419,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.044075011334419,-0.01594986205622062,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.21127551020408164,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0233478149731665,0.0,0.5802228009259258,0.0,0.0,0.0,0.0,0.0,0.0,-0.01594986205622062,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.240060447836317,5.044075011334419,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.240060447836317,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2619419192815564,0.0,1.4137988418507899,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.240060447836317,5.044075011334419,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,37.16666666666667,1.9561403508771933,0.5559027777777779,11.240060447836317,0.08622638322167964,-0.01594986205622062,9.861052319361328,1.6826165287228874,4.240060447836318,12.138850386850919,1.6826165287228874,4.240060447836318,12.138850386850919,9.16666,0.48246,0.0,0.01754,0.47233,0.7807,0.42881,0.47233,0.7807,0.04351,0.0,-0.04351,0.0,0.61798,0.09631,0.0,0.14545,0.05455,0.0,11.25,0.59211,9.75,0.51316,1.5,0.07895,-8.25,-0.43421,0.0,0.0,22.67774,1.19357,26.54676,3.86902,0.20363,8.25049,0.43424,9.30805,1.05757,0.05566,0.10595,0.00558,0.10595,0.00558,0.0,18.02,2,2,2,2,0,0,0.9411764705882353,1.1154562110958914,1.6148395751072484,2.7075770576836615,3.4218844265501462,3.8782596081102367,4.060363088381996,59.11917918808225,85.58649748068416,143.50158405723406,181.35987460715776,205.54775922984254,215.19924368424577,0.19474017140151678,0.28192423199955086,0.47269808984980677,0.5974043204151117,0.6770798650006716,0.7088721152102018,4.612464243467308,4.113080879455952,3.020343396879538,2.3060360280130534,1.849660846452963,1.667557366181204,0.19474017140151678,0.28192423199955086,0.47269808984980677,0.5974043204151117,0.6770798650006716,0.7088721152102018,9.581974988963779,15.7253268521944,19.83188086088156,22.393037646595403,23.94949625501202,24.052064319609947,70.4946406984941,54.71894451837466,46.487195776441325,38.70186205281041,32.979441153497305,31.316367546689857,19.0,16.055555555555557,15.944636678200691,19,3,14,3.11,2.5783000000000005,0.058823529411764705,4.120445989930839,0.27735009811261463,0.0,21.293510331441613,2.954756758150067,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,8.847,18.0,17.0,16.0,15.0,13.0,12.0,11.0,10.0,9.0,158.0,2.995732273553991,3.044522437723423,2.995732273553991,2.9444389791664403,2.8903717578961645,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,5.153291594497779,1.0886075949367089,0.47058823529411764,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,0.8333333333333334,17.0,0.9444444444444444,2,9.0,17.0,0.8888888888888888,1.5,0.666666666666667,0.375,0.24000000000000007,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.08333333333333333,0.037037037037037056,0.022058823529411766,0.015000000000000005,0.0074074074074074086,0.006279434850863422,0.005208333333333333,0.0044893378226711555,0.004000000000000001,0.0036730945821854912,0.20658377087004898,119.14180738764105,188.67318461434542,238.2836147752821,12.541242882909584,119.14180738764105,0.08189346798900754,0.0043101825257372385,-4.754438489751746,151.73370408168688,7.985984425351941,9.542041371367105,26.3,317.5321920408567,5.247927513443585,4.290459441148391,4.962844630259907,5.659482215759621,6.3473892096560105,7.050122520269059,7.744569809354496,8.450412157725886,9.148358579620302,9.856238699935517,100.5098772637292,3.6109179126442243,0.0,4.6913478822291435,0.0,5.905361848054571,0.0,7.183111701743281,0.0,8.498418036089904,8.817594036275793,270.2558803280004,5.099167553358498,36.649914607167624,1.9289428740614538,5.4069034473316595,5.4069034473316595,0.0,1088.0,17.0,7.533999999999997,72.0,1.2427115384615381,2.142833627422163,2.8667357781666367,3.630569791242064,4.942918578111719,5.933304220961637,7.222991919914743,8.330367365254943,9.624849575349634,10.768304453434094,86.74065383113462,86.02403720604804,85.8189911703848,117.42314704848823,150.03911785269023,165.99150924987526,188.21600581031237,216.97077756301698,246.12360236224163,275.8256142018353,292.429874898605,336.28507978608525,351.7731949168523,485.67086764282993,633.8655566140911,739.3338766264831,847.8230732875015,975.7657011104656,1104.0115177771263,1229.0246842469303,9.252244711000007,15.698281926880627,20.62493759308337,26.458191178565755,35.714565541170714,42.85078645214043,51.61370477421878,59.64178149842692,68.98900759810144,77.38388563401857,2.136535269211922,2.7024895546347456,2.9336838124996065,3.9840500650150865,5.280892275224932,6.249939589175683,7.287725472654123,8.382707313055139,9.501432855574722,10.560126713683847,178.74432413509174,332.6771979481616,471.9761768486768,587.9342143570112,803.9950248494174,966.2827139115188,1187.4382705012208,1369.2759092389958,1588.6853643495642,1779.086326095185,2.757544871794871,4.393527876861897,5.045337793046431,6.876471455894115,9.32627770069079,10.859304049266214,12.130568385950445,14.212554044408607,16.637825199180334,19.02102059409603,0.4580684134615382,0.5949255342125295,0.6548229149373723,0.8885144301539603,1.1731044496495324,1.3863116094803214,1.6109266641943092,1.8592556480305442,2.118077034833234,2.3661688894976485,716.7335181402576,946.2010795956357,21.212623909717877,214.68524184126713,-283.41831721577944,-21.197516214052246,502.04827629899046,1229.6193968114153,42.41014012377012,0.7695072817241457,1.0158707557215234,0.022774529375099384,0.23049271827585427,-0.30428667468690584,-0.022758309285581396,667.5790447033944,881.3094362501471,19.757835857943867,199.96186174212679,-263.98113757717175,-19.74376426678081,0.1980440783219922,0.23907698068974817,1.1210794546933915,2.2877033675854106,886.7134792781677,44.70528070335706,0.9520030273984992,0.047996972601500765,1268.8818512369146,35.6213679023829,10.826142234450181,1598.2410780176945,39.97800742930661,11.691783448781866,2266.245009549645,47.6050943655156,13.135167649992926,4.924032893533902,4.924032893533902,11086.972101492705,10996.344342483675,143.97871920429316,1.0082416261428715,77.00424175715347,76.3747892970268,7.773660819408205,11.53380839871631,22.103969527358707,0.9164502099600367,9.49584487439544,14.726718765460623,6.503766970047193,65.98139068158163,24.400680169129107,1.6802224660536147,12.288118017553556,11.329474782479343,47.326689170846876,1.582882940875735,6.304215315772394,42.3610347965846,7.347609544583995,43.3628837476494,3.329385749821049,10.696727199088198,20.988690046439995,6.56742504486599,33.19534279178592,3.786378581047947,16.811703186660832,12.868688072285922,7.154251379430069,19.242377080583978,3.6373453738149992,18.408545252675342,6.753534663094503,7.2310464439578634,4.07348206739073,3.6313558033984616,0.8134279795732419,14.877220738206953,0.5297961059007588,14.611588195236624,0.25211306993392973,1.688905549506705,1.8062218046299714,0.6952139982533472,13.43595361694412,0.08761166328086058,3.817626851448748,3.5332413808811913,0.4541022047561815,9.601159022374256,0.07666205591739654,3.9745858147365905,0.9644081178375545,0.5358403471109867,6.471595722732663,0.10656746544845316,3.998033341176117,0.44061801717172905,0.6969119582114814,3.558829216699621,0.13189835613750897,3.750046735447188,0.23345469095885613,0.9179341576462507,1.1936639295712845,0.1541520049875592,2.578427237952146,14.596170047265256,1.4748189994358474,18.09283656042218,1.8898727167187168,1.5128283837181573,3.561845213387446,1.7744823959014955,16.415228398219675,0.30804959892738587,3.826716836146769,9.330013855991504,1.1434656825495035,14.431877723738218,0.38107233304280325,4.65040058503773,3.2372677765980544,1.1204628247473294,10.53500806855742,0.4831763281716367,5.492808264120235,1.6367001390060545,1.3187577704821483,5.937063193040037,0.5400140997576768,5.418027519892379,0.9358243851628141,1.5788385639327025,1.721629350070443,0.5968541593271162,8.968418058111313,14.87723200024067,6.60031600003698,62.1487790315477,22.006719649155855,1.7681677612685773,11.92028753329927,11.184661329880674,45.84623062838024,1.4719709427050174,6.298446971849494,39.59681338135308,6.673051515164766,41.29466978939777,3.003063003176712,10.507186483859856,19.68202403428881,5.970397676945327,31.41462573730087,3.4286107524169074,16.281044318501888,12.086307409653806,6.5145176074068845,18.16259792112246,3.313989149920654,17.89559154222751,6.216028942246604,6.626157584990672,3.962264215894951,3.3240036168849354,3.792545596959576,14.489408774940523,2.063266903580516,22.232204414799995,3.9283684282755744,1.4513781102951289,4.81084786725115,2.6132636479252485,19.434747512043874,0.48185346966340875,3.9970898110183217,13.959310438954976,1.8296016400891222,18.274428949538542,0.696795306087956,5.333099918368623,5.2025557862080944,1.7138049655003251,13.700186617586153,0.852908960503018,6.83503107648753,2.7415723298613512,1.9524224521170646,7.796206071579672,0.9114523407192653,6.895639100141303,1.5833394179278681,2.218973062783496,2.0929827488207695,0.9800537050223803,11.467630932085546,14.822403583121972,8.4712708791508,89.47847031111411,35.57184569087183,1.782963845620691,15.254725169827712,15.837265109088865,60.68521419741343,2.0696467887520758,7.3041738691877685,54.334955803527265,10.138202531866465,54.224634831000614,4.682030478320407,12.865490554702326,28.734028911680262,9.03997228851963,41.46486920662181,5.261467020176882,21.045533940218913,18.094482498792253,9.80727463876016,24.11935094055084,4.9580713674071,23.42264139047448,9.328580124594188,9.732315096444458,4.784492349751825,4.876617850931508,6.183418075068139,14.717896572976544,5.177758171693542,44.69776600379014,11.686986259598601,1.9299270630626224,9.081498296385137,11.319414200134798,41.93668919897436,0.9600178414428296,5.788401821459343,26.357224482853294,3.5112158979383965,31.414968043908754,1.4937313378439363,8.738219797577017,14.138369593083448,3.181775484358504,22.87052595948823,1.7499922303691375,12.411570713478461,8.998973347783563,3.5296889224032277,13.250847314180884,1.759150202804363,13.592358185611246,3.7659562285937227,3.7654702096044583,3.9598814838104324,1.8156431692817048,43.65765000500869,0.814455372142278,0.49940309999999993,0.9707846475105495,0.018110474825546154,0.5443109793523199,0.6443635787120926,0.6037632988542441,44.97150847715097,57.766714870562545,120.49560304135134,0.9561769712658243,1.7924378569186565,41.078445444458396,0.43703719463521473,0.09864825541361488,0.9871273185686178,0.010502134376976753,0.481906465728711,0.18439752944255589,0.023558251863154515,41.61413089450723,22.048238492022616,65.43338263045466,0.9806909778529268,0.6898622470344213,42.03305153459987,0.5504677756967841,0.25942379915933805,0.9810962665943143,0.012848505161992216,0.5045519187599713,0.29431720865254835,0.1629235529545487,42.84294310945599,34.18501874505168,83.03046831126717,0.9716443998914712,0.9617926803670684,43.57431161058468,0.8104838127203386,0.48273969705174513,0.9711768541261955,0.018063925520896633,0.5422314363797398,0.6379908455626976,0.564144384159305,44.86753512035677,56.74257690716074,118.65867954104067,0.9567652811892934,1.7443666661017425,42.506475415453615,0.6146422760385359,0.33511692340516414,0.9781444663151253,0.014143937722294725,0.5159881099842124,0.3669369596810857,0.27186729284948724,43.45623461489732,40.57689309029532,92.78848520500956,0.9672166994726881,1.1547923625147853,43.86394241668644,0.8509626658358425,0.5285230199406669,0.9695097002231489,0.018808536433372474,0.5494662557478657,0.7034222990395829,0.6762263006080951,45.24342810246295,60.959434043548335,125.93081754322414,0.9542645503347232,1.9291148553955435,43.65385008940163,0.8175132836338719,0.4855122588841029,0.9710161010034065,0.018184388308635786,0.5442115974639244,0.6488710666267974,0.5706431945396525,44.9568756319196,57.27899441674573,119.56263846998718,0.9565241515051097,1.7637258586303743 +UMLCN0420,L,tetradecyl acetate,CCCCCCCCCCCCCCOC(=O)C,Esters,,C16H32O2,BioCompoundML (2016),Unknown,PubChem,,81,0,-3.474300000000003,12.070760490000021,57.266200000000005,51.10137599999996,0,0,50,18,32,0,16,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2852.675985999997,2983.616477000001,3437.4496690000014,3061.106430999997,2860.3771739999984,2669.7168289999972,2472.9600999999975,2276.203370999997,2079.4466419999953,8203.731803707753,10508.996854574678,13810.167928120778,14297.377406063382,13536.207620458983,12715.911742089438,11709.113397134312,10702.315052179178,9695.51670722405,362.3425359999999,363.43310000000014,686.6606200000012,919.6601080000027,854.4786960000024,831.9045800000022,769.0196800000017,706.1347800000011,643.2498800000006,60.13642095516805,78.69603791999995,112.79258652413084,124.01238055984571,118.41950130644972,112.06564987614772,103.04412101675175,94.0225921573558,85.00106329795983,8316.977133820968,7135.072497317802,14752.474513992925,21231.290642236505,19777.211118977815,19407.76187608472,17928.806721046138,16449.851566007557,14970.896410968962,133.27777777777777,107.08333333333333,192.49999999999997,217.08333333333331,195.83333333333334,189.58333333333334,177.33333333333334,165.08333333333334,152.83333333333334,57.05351971999994,60.89013218367349,36.56861350000001,23.914893992187476,23.836476449999985,22.81809255555553,22.89777870370368,22.99195324242421,23.104962688888836,164.07463607415505,214.4693235627485,146.91668008639127,111.69826098487017,112.80173017049152,108.68300634264477,108.41771664013251,108.10419244625432,107.72796341360055,7.246850719999998,7.417002040816329,7.304900212765971,7.184844593750021,7.12065580000002,7.110295555555574,7.120552592592609,7.132674545454557,7.147220888888896,1.202728419103361,1.6060415902040805,1.1999211332354345,0.9688467231237946,0.9868291775537477,0.9578260673175019,0.9541122316365902,0.9497231531046041,0.9444562588662203,166.33954267641937,145.61372443505718,156.9412182339673,165.8694581424727,164.81009265814845,165.87830663320275,166.0074696393161,166.16011682835915,166.3432934552107,2.6655555555555552,2.185374149659864,2.0478723404255317,1.6959635416666665,1.6319444444444444,1.6203703703703705,1.6419753086419755,1.6675084175084176,1.6981481481481482,0.3059283888737559,-0.15944310374586357,0.06098638679440527,-0.05147906989603909,-0.013410201422926923,0.006911059828081579,6.19327501030089E-4,2.2503533044149074E-5,2.945498903603183E-7,1537.5490880000032,-19.920418560001686,-396.73066836000044,-122.39098711999985,-86.86513080000016,13.164597919999906,11.318260479999722,9.47192303999988,7.6255855999999085,2434.164358322124,-154.51537631383835,-989.2082614924516,21.469850146685,-150.90507433374216,9.021139293277948,8.775099680999638,8.529060068721328,8.283020456443019,2.214149119999999,0.05264010239999879,0.8349841343999989,-0.37769246719999916,-0.06484012799999833,-0.029029580799998206,-0.04373841919999851,-0.058447257599998755,-0.07315609599999906,10.811375630900493,-1.045459502325324,-4.6195611708886055,0.6820198228297303,-0.6728541047121146,-0.03406850407016676,-0.03463987851399902,-0.03521125295783217,-0.035782627401664435,59.53942844581234,-6.280918617972045,-24.99680163895192,4.57181332236909,-3.6752507865249364,-0.33261027220015227,-0.3418029704678205,-0.3509956687354887,-0.36018836700315515,41.702222222222126,0.5940444444444419,15.2764888888889,-4.5565777777777665,-1.2120000000000035,-0.7765333333333362,-1.0901333333333358,-1.4037333333333357,-1.7173333333333363,0.006118567777475118,-0.003253940892772726,6.487913488766518E-4,-4.021802335628054E-4,-1.1175167852439102E-4,5.9068887419500674E-5,5.73451389842675E-6,2.273084145873644E-7,3.2727765595590924E-9,30.750981760000062,-0.40653915428574866,-4.220539025106388,-0.9561795868749988,-0.7238760900000013,0.11251793094017014,0.10479870814814557,0.09567599030302909,0.08472872888888787,48.683287166442476,-3.1533750268130274,-10.52349214353672,0.16773320427097657,-1.257542286114518,0.07710375464340126,0.08125092297221886,0.08615212190627604,0.09203356062714466,0.04428298239999998,0.001074287804081608,0.008882809940425519,-0.0029507223999999934,-5.403343999999861E-4,-2.481160752136599E-4,-4.049853629629492E-4,-5.903763393939268E-4,-8.128455111111007E-4,0.21622751261800985,-0.021335908210720896,-0.0491442677754107,0.005328279865857268,-0.005607117539267622,-2.911837954715108E-4,-3.2073961587036133E-4,-3.556692217962846E-4,-3.975847489073826E-4,1.1907885689162467,-0.1281820126116744,-0.2659234216909779,0.03571729158100852,-0.030627089887707803,-0.002842822839317541,-0.003164842319146486,-0.0035454107953079668,-0.0040020929667017235,0.8340444444444425,0.012123356009070243,0.16251583924349894,-0.0355982638888888,-0.010100000000000029,-0.006637037037037061,-0.01009382716049385,-0.014179124579124604,-0.019081481481481515,-0.5318141452566362,0.10603647331735228,-0.06573110704818713,-0.018264352474086077,0.00965403825989421,9.372314088826108E-4,3.715059191207738E-5,5.348925890152732E-7,-0.0132203634166426,-0.13724891966201663,-0.031094278366057503,-0.023539934290540188,0.0036590028838210955,0.003407979262778027,0.003111314983363604,0.00275531784806625,-0.06477325608749479,-0.21616231680408368,0.0034453960287750564,-0.025831088229829834,0.0015837828365983695,0.0016689695314622336,0.0017696447163013456,0.0018904549381082805,0.02425960822552025,0.20059195336458463,-0.06663332594328594,-0.012201852059539385,-0.005602966687574773,-0.009145394935345398,-0.013331901046347027,-0.018355708379549,-0.098673420197055,-0.2272803640035834,0.024642006936787326,-0.025931563802304953,-0.0013466546969252689,-0.0014833432248604914,-0.0016448842124203416,-0.0018387333974921158,-0.10764464486616178,-0.2233170762908805,0.02999465439403346,-0.025720006630213073,-0.0023873447508022633,-0.0026577701548032603,-0.002977363814077166,-0.003360876205205836,0.014535623478849041,0.19485273276024379,-0.04268149512416071,-0.012109666417990045,-0.007957653913105309,-0.012102265326180976,-0.017000442450724945,-0.02287825500017772,1.5984937741759295,0.92872998709147,0.9610888963994955,0.7186283481641841,0.7006247659520315,0.7426279953218861,0.7904380741594303,0.8468691352787379,1.2753494345671244,1.2335416087493074,0.9964030310681151,0.9595408901182333,0.9181916705243621,0.9232587415603032,0.9292470982391426,0.93643312625375,1.5010127045772457,1.3788457920444286,0.96073894321889,1.0156741616308294,0.9642497394577746,0.9606809225687007,0.9564632298816135,0.9514019986571091,0.72992012389843,0.7130197457311237,1.0270921462936515,0.6817578754587225,0.6902671456755329,0.7380700651206297,0.7945644244648351,0.8623576556778815,1.5939622436510097,1.4140804365190498,0.9379790288949758,1.0181358131564677,0.9662695560941955,0.9623220235857929,0.9576567578940445,0.9520584390639464,1.6091703113363118,1.4131898407477683,0.9320731350392558,1.0129526624402156,0.9620167144808608,0.9588665897749586,0.955143715122529,0.9506762655396135,0.5835020782265814,0.45225591892081984,0.8659485572311647,0.6641998827667073,0.6762092928564222,0.7271202647814622,0.7872877770565095,0.8594887917865663,211.01919337845052,105.75959668922522,169.74706346201688,211.4636378228949,11.747979879049716,105.75959668922522,0.49999999999991473,0.1017093205698743,0.005650517809437461,-4.1141453983901455,152.60121284482372,8.477845158045762,9.05009052003816,211.03981097168537,105.76917106494135,169.75981405937858,211.48294977897183,11.749052765498437,105.76917106494135,0.49853115819733773,0.10155723246691395,0.0056420684703841085,-4.116838990939682,152.54719747257752,8.474844304032084,9.04945327161889,229.54632577244965,114.37416840816671,181.55118574059256,228.8370022559019,12.71316679199455,114.37416840816671,-0.7979889561162281,0.03405368463320202,0.0018918713685112233,-6.083670671662172,147.60339651734319,8.200188695407954,8.990152062366105,211.06145019970182,105.77921990006979,169.77319737117887,211.5032187334242,11.750178818523569,105.77921990006979,0.4969896004377574,0.10139760984544072,0.005633200546968929,-4.1196703673643205,152.49072429132175,8.47170690507343,9.048786785781104,249.58912527501792,123.71226837316976,195.12347423744188,247.6650465828593,13.759169254603297,123.71226837316976,-2.164588528678408,0.17644889634006478,0.009802716463336933,-3.1225031706296025,184.45318867455862,10.247399370808813,9.391312280460863,213.18178365153568,106.7640260116461,171.0890636689405,213.48957775976368,11.860532097764649,106.7640260116461,0.3462683717565227,0.08576548781167559,0.004764749322870866,-4.421049468058032,147.90699467485794,8.21705525971433,8.993850591365971,219.24912238302946,109.76575093315684,178.47555436478058,220.03397688038385,12.22410982668799,109.76575093315684,1.177281746031582,0.17647984069139833,0.009804435593966574,-3.122187527120312,289.1892061822986,16.0660670101277,10.200746099820584,0,11.89,15.995922686620977,-0.31589416845887397,0.3016424036153792,3.7217055242136667,7.606814662135981,17.0,49.0,48.0,48.0,16.0,1.0,1.0,0.0,0.0,1.0,37.85662399999999,3.5529977991231685,3.4953796618479696,3.397198388286359,3.2499273657384333,3.0547146850651994,2.820636640119057,2.5612581047777625,2.2971042551183602,1.948193653233968,1.876955578500301,1.7648432847673357,1.6289914767472138,1.547914318816062,1.4283645676417547,1.255962827561792,1.0854070414175634,3.5696875346687866,3.480219078035709,3.3490721822628737,3.2267924549453193,3.074770900569265,2.8504723080189938,2.593337388973623,2.3294386647026446,1.8908982575976336,1.8210899763067978,1.7152709943576059,1.6052725567524853,1.5007217705138352,1.3457417991017795,1.166008544870845,0.9875477437568259,3.695086228802598,3.62449449405444,3.526461996331017,3.4087512270833473,3.2479196357843594,3.046970618744715,2.825027468865195,2.6037600902088927,1.715263964200666,1.631297456109285,1.5014111517011213,1.3633268281414173,1.2571450735631036,1.0753366497566086,0.8554292196038565,0.6331308614378721,3.5894130298132763,3.497836747446514,3.357357840513336,3.21803005267216,3.093005732481796,2.8792875304335324,2.6263736755275326,2.3664821879887032,1.8552743029929686,1.7899138322967667,1.6953241256152405,1.5906699241636935,1.4601413128840672,1.2927834087142824,1.1074294498724866,0.9244607991129657,3.7518700796967006,3.676652853281861,3.56746348121685,3.4564618139075587,3.3204178519760967,3.1345636408691506,2.9256517696617537,2.7171614074364383,1.660803725457835,1.5755639798464396,1.4470971927206144,1.3216098487875518,1.1927986768574745,0.9918260063302623,0.7589297319770738,0.5227389057409438,5.1298373619418145,3.6060206738552774,3.5464787813580605,3.4351564319597707,3.273111203655078,3.07510791694493,2.90888030587718,2.771457522681542,1.8198095751273777,1.7297523799458476,1.5883543196293806,1.4083906347883588,1.2118187045849718,1.1150474831080537,0.9749155020107341,0.7725730046181852,0,0,1,0,0,3,12,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.08333333333333333,0.0,0.0,0.0,0.2886751345948129,0.20412414523193154,0.14433756729740646,0.05892556509887897,0.041666666666666664,0.029462782549439483,13.476845205801295,8.770055610029663,6.425162671831452,3.8850278050148317,2.570352810727639,1.6925139025074158,1.1083997100671825,0.7212569512537077,0.7487136225445163,0.515885624119392,0.37795074540185014,0.25900185366765544,0.1835966293376885,0.13019337711595508,0.09236664250559855,0.06556881375033706,12.508884736352847,7.904030206245224,5.229130632852547,3.303216162902932,2.1589498532170337,1.4016080814514658,0.9026982313118799,0.5758040407257328,0.6949380409084915,0.4649429533085426,0.30759591957956156,0.22021441086019547,0.15421070380121668,0.10781600626549737,0.07522485260932332,0.052345821884157526,26.098843069407646,48.86671522214135,46.30588235294113,46.96000000000002,29.737350898203637,384.76112335329344,0.5219768613881529,0.977334304442827,0.9261176470588226,0.9392000000000005,0.5947470179640727,7.695222467065869,5.250600000000007,77.71100000000006,110.15698465540497,175.36693857814146,220.31396931080985,12.239664961711659,110.15698465540497,0.03277857261779338,0.0018210318120996322,-6.152364451649051,141.50659208187412,7.861477337881896,8.914223345668558,415,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,13.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.417643094455244,-0.15456203609250174,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.74739645423915,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.738061120382703,0.0,16.665524487921225,0.0,0.0,0.0,0.0,0.0,0.0,-0.15456203609250174,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.52287363867638,4.894769455778863,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.894769455778863,-0.15456203609250174,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2097462664600154,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.472728822278049,0.0,0.6039304610733183,0.0,0.0,0.0,0.0,0.0,0.0,-0.15456203609250174,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.52287363867638,4.894769455778863,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.52287363867638,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.265332298104654,0.0,1.4268107083928763,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.52287363867638,4.894769455778863,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,35.66666666666667,1.9814814814814818,0.5559027777777779,10.52287363867638,0.14872638322167964,-0.15456203609250174,9.669418454272401,1.8212287027591685,3.522873638676379,10.365950785119795,1.8212287027591685,3.522873638676379,10.365950785119795,8.66666,0.48148,0.0,0.01852,0.47467,0.78519,0.42857,0.47467,0.78519,0.0461,0.0,-0.0461,0.0,0.61321,0.10108,0.0,0.15385,0.05769,0.0,10.75,0.59722,9.25,0.51389,1.5,0.08333,-7.75,-0.43056,0.0,0.0,20.97452,1.16525,24.48423,3.50971,0.19498,7.65409,0.42523,8.77005,1.11596,0.062,0.14395,0.008,0.14395,0.008,0.0,17.02,2,2,2,2,0,0,0.9375,1.1238561897747248,1.5834651896016472,2.5484930703645583,3.08488945173324,3.47127238011291,3.7031449409815766,56.19280948873624,79.17325948008236,127.42465351822791,154.244472586662,173.5636190056455,185.15724704907882,0.19912913298727827,0.28056441134529536,0.4515517377961896,0.5465924977539823,0.6150533010394559,0.6561373671587809,4.52,4.060391000173077,3.095363119410166,2.5589667380414842,2.1725838096618144,1.9407112487931477,0.19912913298727827,0.28056441134529536,0.4515517377961896,0.5465924977539823,0.6150533010394559,0.6561373671587809,9.698823505695543,15.373928088418612,18.501032788001016,20.62873847488195,22.279021526624202,22.65671083338615,66.65750487792172,53.27894266525181,47.76391309715243,41.554628918631586,36.43904168487578,34.80638975594483,18.0,15.058823529411764,17.066666666666666,18,3,14,2.9999999999999996,2.437400000000002,0.0625,3.83556299378189,0.5163977794943223,0.0,21.215216789392638,1.8722915578361463,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,8.347999999999999,17.0,15.0,14.0,13.0,12.0,11.0,10.0,9.0,8.0,144.0,2.9444389791664403,2.995732273553991,2.833213344056216,2.772588722239781,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,5.049856007249537,1.0763888888888888,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,0.8235294117647058,16.0,0.9411764705882353,2,8.0,16.0,1.0,1.5,0.44444444444444464,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.049382716049382706,0.04000000000000001,0.03305785123966942,0.08823529411764706,0.026143790849673214,0.016666666666666666,0.01142857142857143,0.008547008547008548,0.006802721088435374,0.005681818181818182,0.004938271604938271,0.004444444444444445,0.004132231404958678,0.1986682559087972,110.15698465540497,175.36693857814146,220.31396931080985,12.239664961711659,110.15698465540497,0.03277857261779338,0.0018210318120996322,-6.152364451649051,141.50659208187412,7.861477337881896,8.914223345668558,26.3,300.2362074149898,5.169925001442312,4.23410650459726,4.890349128221754,5.579729825986222,6.248042874508429,6.940222469119639,7.613324979540639,8.30622521603216,8.981807323377534,9.674891664210184,97.46869998559382,3.5553480614894135,0.0,4.634728988229636,0.0,5.831882477283517,0.0,7.0825485693553,0.0,8.36287583103188,8.69433468816865,256.240230264,5.12480460528,34.66155735943671,1.9256420755242618,5.261696753805636,5.261696753805636,0.0,954.0,15.0,7.280999999999999,68.0,1.2422857142857142,2.1417598368976996,2.870452341817503,3.632628113335479,4.923283741160224,5.9436738862094005,7.261417818348397,8.368650347109938,9.668936864813679,10.814104268679198,87.01733398057142,86.5664787372731,82.02794978932766,109.7117591422372,132.40522590165182,160.57737036094247,189.20406064474162,218.2306436651805,247.7684049373426,278.0013124388777,291.95782745556033,335.5887131409355,353.4292112409339,480.82095132476155,591.0961922846213,718.3370114383932,848.1570644109119,975.2447040196705,1102.3316366421493,1225.5609860448303,9.26099327085715,15.712978640027337,20.680246853036316,26.060112309088726,35.14513982308638,42.53094696182701,51.95929867436828,60.02278517179095,69.45687322137167,77.9341427388123,2.1300732584685704,2.6913897832539737,2.965833604894684,4.038189077224667,5.056159849824304,6.1389248540938475,7.284385953727949,8.367115401374463,9.470268589555454,10.5043516279979,178.79073998960789,332.8465655150551,472.3453300062885,584.1149136009376,807.0956352694199,971.7659427834692,1195.119237764122,1377.3291095722884,1598.4223107493287,1789.9844592649779,2.7906496598639454,4.534304603692375,4.965471822789763,6.181103912769171,8.171044587478647,10.037428087004548,12.333639400830743,14.489018047117337,17.019988111872678,19.550316883624856,0.45772714285714267,0.5941439363626329,0.6570601181377392,0.8827040303388564,1.1126286391490339,1.3543531311173578,1.615162167231624,1.8628880620148256,2.121194938466916,2.3680442579070506,696.6135806894232,879.2116831089718,21.69795363042248,228.77611937816596,-288.74349072343654,-23.871438954452163,467.83746131125724,1167.9551738324083,45.56939258487464,0.7527786192547241,0.950098842730533,0.023447368853184433,0.24722138074527567,-0.31202367035460526,-0.025796093205606916,644.6390324971949,813.6134357281318,20.07906280213712,211.70706449398804,-267.20025227702973,-22.090383734242256,0.20466927971711518,0.2502316863581061,1.8537329785721581,2.6082310440264953,866.7507850846303,58.63891498295902,0.9366332746315674,0.06336672536843246,1206.8002820907639,34.7390311046633,10.646621165322587,1516.7854367079683,38.94592965520233,11.48968308928235,2104.017968876732,45.869575634365006,12.813953632673131,4.160031646684491,4.160031646684491,10051.333556322403,9963.959390555296,137.39589287686977,1.0087690206615985,73.15599721259585,72.5200672445479,7.665982166812715,10.582349022805118,20.84445957719191,0.9697384325797411,8.938043767523329,13.778201457750663,6.321538566270582,63.68145441868742,25.08600867734228,1.4670029056660017,12.723549765263455,8.23975330838295,43.400542273821586,2.004618255787191,3.4481490962615298,41.85783440547872,4.739258850257593,44.903725634723486,3.2168671029511677,5.556652671649992,21.796625390386822,2.8204799580665623,36.93720445981157,2.979787610740011,6.2514924571461385,13.89195645025526,3.331307607162571,24.14496949540575,3.451607118817176,7.648679583059738,8.771762298054554,3.169251137410959,9.661425296034707,4.38259995672993,0.7666155979446,13.928745535850338,0.5270204043257435,15.183992204961045,0.38361247948863536,1.3256050445249679,2.930800900583327,0.490364029649546,11.133288338201398,0.04042479254943551,2.11899306745524,2.897775351869933,0.29787028379542296,9.201374803643505,0.07236153311717634,2.266737230545417,0.873808554094516,0.341154769847206,6.55840262510851,0.10528976107698398,2.7285229243352718,0.33987571070764966,0.45472284528332485,3.8825033853831323,0.15411525222549158,3.2432402969025693,0.23434336058515012,0.6052352967777376,1.6095354227035368,0.20788643173537572,2.4273111636082607,13.647691952600129,1.4347168628350342,17.594360205297473,2.083894173902126,1.3333760916088393,4.155230681141902,1.316791984624685,15.091058462488796,0.21471310249157238,2.178195610682177,9.410506722039552,0.7038234861749133,14.598970446409448,0.3638012759724539,2.5050169588709803,3.3588382019012193,0.5673384402002468,11.248825026065607,0.4352898644597641,3.004537335727525,1.6353941784475736,0.7046240828094191,6.931306616032644,0.5868228930678759,3.3811088243267324,1.0862099274106631,0.8510269826319111,2.833215761788533,0.7764530705808598,8.441899314843754,13.92871928747221,6.43531155085193,59.507840336116814,23.062229584199745,1.4666058467131144,13.031634018466889,7.927456379914096,41.25316220275307,1.8041920866841854,3.3468162612720986,39.484453467584295,4.291059187765336,42.45534527507807,2.9003954249825807,5.35814238470246,20.048068057620785,2.5737222457379296,34.75217103629605,2.712984615102723,6.268642558756768,12.545576341218643,3.047995549527099,22.62945574771754,3.164698283362547,7.8144822016554,7.934041544337651,2.9419845353908918,9.077779912861708,4.026705283079234,3.5698283074650243,13.540927001667818,1.9991072415664142,21.417736563553508,4.073325739253403,1.3436144947761748,5.076083681037134,1.999545628034501,18.42031223370959,0.4016522894082933,2.2846499837558762,14.177412804496711,1.1310132230404057,18.7733420006332,0.667912736687309,2.804933151820108,5.553367854984956,0.8051020798936142,14.87058072916295,0.7380578484959691,3.3418344219645544,2.9605177293702285,0.9745714653364034,9.32314713023882,0.9552371435995154,3.7187765904840706,1.9354695240913173,1.0982863371286051,3.7855553444476193,1.2509574296152977,10.794005313129196,13.873866971939734,8.242680398478035,86.2754757885959,36.57784068010641,1.5257923954448034,15.807876933050657,11.399676633489696,55.286002951926605,2.8377441213056915,4.040908302288644,53.28363642556596,6.602647915217096,56.28036199567389,4.5293748403449525,6.842766303379108,29.637741182929346,3.8604481422390227,46.4293980411525,4.0707677242412705,7.321715035658107,19.48190264747551,4.5569380479391555,30.60688588079525,4.610456507297016,9.133362161867117,12.2315576899416,4.216436902934494,12.208257509645536,5.814225502930797,5.811551914551961,13.821729651973541,5.09031282425671,43.71310148403919,12.275809971132153,1.598994955074685,13.218751513444904,6.90047151760833,28.18649947240279,0.8794038247032183,3.023112947788343,27.014489162051312,2.2639132863915252,28.32135418552279,1.4308949911573992,4.609501616880071,11.794703988282457,1.5186881465011597,22.800540269020715,1.4260177390097122,6.769994405872181,6.2908056265108145,1.891698534472613,14.745911050415076,1.7363367521326951,9.28016427634144,4.003967695180157,2.1091981012902608,6.260078285014341,2.236748507731456,37.78321680356644,0.8355217487917105,0.496333446,0.965950332525334,0.021360608739945088,0.5359476737563199,0.633829720589311,0.5999892028820001,39.115071998358154,50.73647096455714,105.52014431127964,0.9489254987880011,1.769766597227631,39.76413893163894,0.442255114169652,0.0975517906578795,0.9866065990903767,0.010972997928394035,0.5941239688961919,0.17222828102586507,0.023177513529842597,40.303945836466475,21.508099538134818,63.52758080541007,0.9799098986355652,0.7895297634518996,37.67548206916031,0.5665277907257416,0.2576045806671064,0.9785937500058505,0.014715154916694322,0.5329769127995414,0.29130549774590814,0.1616231305053682,38.49961444055316,31.195524534991975,75.19350462946795,0.9678906250087757,0.9859055410508177,38.25589579695343,0.8307505634274666,0.4793633901809397,0.9668878928689593,0.020996571771194843,0.5494735887228527,0.6271408980471666,0.5596623324912451,39.56600975056184,50.51781429785719,105.31852323776596,0.9503318393034389,1.7362768192612643,37.071683625860565,0.6331005575830417,0.33320831410176555,0.9745962179327112,0.016643900374708163,0.5159610216481594,0.364093850857179,0.27041327647818325,38.037992497545375,36.0336511454106,81.89207728666715,0.961894326899067,1.1504681489835216,37.94582465653965,0.8724453231509696,0.5252004335935917,0.9644757886870944,0.022175098281528083,0.5405708739143047,0.6910950699241453,0.6718100613984562,39.34347041328421,53.49302947939138,110.22360543724737,0.9467136830306415,1.9034760052369064,38.36024721139864,0.8384152633418864,0.4821491450460016,0.9667203276726981,0.02112898474394655,0.5524916370315273,0.6386694681775189,0.5661860357768563,39.680811619786525,51.06141836674758,106.24902244416086,0.9500804915090473,1.7573471409859023 +UMLCN0421,L,triethyleneglycol dimethyl ether,COCCOCCOCCOC,Ethers,,C8H18O4,BioCompoundML (2016),Unknown,PubChem,,120,0,-0.3422000000000013,0.11710084000000087,46.143,29.29027399999997,0,0,30,12,18,0,8,0,4,0,0,0.0,0.0,0.0,0.0,0.0,2196.274123999998,2188.0318589999997,2177.8040979999982,2057.132984999998,1776.6177439999974,1552.532702999997,1395.6361659999986,1147.1046849999982,902.8757720000001,4813.205721608805,5757.645816523894,6736.534300328035,6612.701336735146,6268.237730205669,5417.897317337998,4637.9407905644675,4197.0339156168375,3353.250468005653,234.66334400000014,231.00999600000011,426.87954399999984,407.6912039999999,394.71204799999987,440.41148399999963,286.0294000000001,283.28885200000013,292.7002880000001,32.887048287281985,39.12521758000002,47.51535032618802,50.459380270188035,51.45825015698007,42.56832761977205,35.86667546679203,35.30386405758402,26.95059519697997,5084.677728366482,4363.335554422201,8817.03677222649,8514.548997424488,8853.187963690381,9989.010894058272,5982.611093708793,6455.055960970186,6722.96136730808,88.5,82.25,135.0,134.75,100.5,118.25,94.0,71.75,77.5,73.2091374666666,75.44937444827585,41.88084803846151,40.3359408823529,32.900328592592544,27.237415842105207,38.76767127777774,29.412940641025596,23.759888736842107,160.44019072029351,198.539510914617,129.5487365447699,129.66081052421853,116.07847648529017,95.0508301287368,128.83168862679076,107.61625424658557,88.24343336856982,7.822111466666671,7.965861931034487,8.209221999999997,7.993945176470587,7.309482370370368,7.726517263157889,7.945261111111114,7.263816717948721,7.7026391578947395,1.0962349429093996,1.3491454337931041,0.9137567370420773,0.9893996131409418,0.9529305584625939,0.7468127652591587,0.9962965407442231,0.9052272835277955,0.7092261893942098,169.48925761221608,150.45984670421385,169.558399465894,166.95194112597036,163.94792525352557,175.24580515891705,166.18364149191092,165.51425540949194,176.92003598179159,2.95,2.836206896551724,2.5961538461538463,2.642156862745098,1.8611111111111112,2.074561403508772,2.611111111111111,1.8397435897435896,2.039473684210526,0.6641597311474342,-0.11128933591663209,-0.44438444435279856,0.2921996953295653,0.03744832913202767,-0.2679363797304545,0.19894702642950648,0.03863553353576143,-0.1756956552971806,1137.4334578666674,59.98399412888793,-446.69508843555553,-317.7931369733336,148.16276624000025,101.93025825333373,-271.74855970666704,131.42133497333367,66.54365443555595,1317.6302617208974,-325.47581580916176,-40.93989361676386,-217.13811965706822,-361.63079459134474,508.5339971320651,-246.89829438381534,-234.41185890360762,404.26541878465565,3.7000906666666618,-0.10493911111110978,-2.5759635555555516,0.8917746666666696,0.6538879999999956,-1.3709426666666673,0.6049893333333352,0.5281213333333297,-0.9667324444444436,5.678363072779463,-3.0067392908834014,0.7048479832847905,0.962946025734709,-3.314626667335837,2.3582064811935997,0.23211056537117603,-2.3006103794327064,2.0546410291755977,32.17168761389943,-19.14436404740639,4.18601876812349,9.130589991550647,-20.713233455171967,12.279123321305834,3.954608394573789,-14.474611369782096,11.120106569297125,21.0,0.5,-15.0,2.0,6.0,-7.0,1.0,5.0,-5.0,0.022138657704914473,-0.003837563307470072,-0.00854585469909228,0.00572940579077579,6.934875765190309E-4,-0.004700638240885166,0.005526306289708513,9.90654706045165E-4,-0.004623569876241594,37.91444859555558,2.068413590651308,-8.590290162222221,-6.231237979869286,2.743754930370375,1.7882501447953287,-7.548571102962973,3.3697778198290687,1.7511488009356828,43.92100872402991,-11.223303993419371,-0.7873056464762281,-4.257610189354279,-6.696866566506384,8.92164907249237,-6.858285955105981,-6.010560484707888,10.63856365222778,0.12333635555555539,-0.00361859003831413,-0.049537760683760604,0.017485777777777836,0.012109037037036955,-0.024051625730994165,0.01680525925925931,0.013541572649572555,-0.025440327485380096,0.1892787690926488,-0.10368066520287592,0.013554768909322893,0.018881294622249196,-0.06138197532103402,0.04137204352971227,0.00644751570475489,-0.05899000972904375,0.05406950076777889,1.072389587129981,-0.6601504843933238,0.08050036092545174,0.17903117630491464,-0.38357839731799936,0.21542321616326024,0.10985023318260526,-0.37114388127646397,0.29263438340255593,0.7,0.017241379310344827,-0.28846153846153844,0.0392156862745098,0.1111111111111111,-0.12280701754385964,0.027777777777777776,0.1282051282051282,-0.13157894736842105,-0.17334218535833754,-0.38601503365740275,0.2587964395648044,0.03132473457797246,-0.21232715657560802,0.24962246416962083,0.04474773128748693,-0.20884598957484338,0.05455475860181103,-0.22657035722337251,-0.1643499565651003,0.07236700076107673,0.04716540029029861,-0.1990948406895158,0.08887846044592304,0.046186846065353476,-0.2555338394875916,-0.01792549099732949,-0.09693789630621279,-0.1524752450150904,0.20312942101466783,-0.15615046544579245,-0.13684932699233318,0.2422203852164089,-0.029339200287008475,-0.40164767688021163,0.1417731024969485,0.09817897555423213,-0.19500840301836547,0.13625551998485624,0.10979384455277597,-0.20626787106516054,-0.5477670089460798,0.07161272748285921,0.09975389586883418,-0.32429403263389023,0.21857730652010607,0.03406359696685759,-0.3116567695987558,0.2856606740786272,-0.6155883014120587,0.07506633959482352,0.1669460226521342,-0.35768567871361384,0.20088148817240378,0.10243500543174396,-0.34609053065290424,0.27288066474584916,0.024630541871921183,-0.41208791208791207,0.056022408963585436,0.15873015873015872,-0.17543859649122806,0.03968253968253968,0.18315018315018314,-0.18796992481203006,1.1726458066038548,1.9427511101672914,0.982015203519073,0.46646881485675334,1.3191127761819466,0.9326033278704663,0.4219783515340717,1.3150064352794597,1.0138708765987283,1.3712331692912902,1.21879592515973,0.765621440936692,0.9344877310045896,1.2368266681822297,0.7331095232503604,0.927038856088845,1.6422979056165221,0.9333326155647333,1.090461492842691,1.2349621570807534,0.5998620855021982,1.1675157522856585,1.1823144383790907,0.5223942562601179,0.9489767457950594,1.924184844645805,1.072759785684956,0.40374035679285925,1.325345901433768,1.018325286683667,0.3742721037688227,1.3429426537333606,2.1258793086881984,0.8312154329430772,0.9180276879018338,1.4511545280479723,0.5071724736323325,1.0098015699100529,1.3834581551904321,0.3840647231854176,2.2205286618280127,0.8577625904875353,0.8696790039911624,1.4647441831934898,0.5216862515446904,0.9582510037591605,1.3941907844831387,0.39127836765112844,0.8928571428571429,1.858974358974359,1.1237161531279178,0.38359788359788355,1.2840434419381788,1.0932539682539681,0.35409035409035405,1.3082706766917294,81.2803356376858,41.140167818842876,65.5252972792631,82.1136689710191,6.842805747584924,41.140167818842876,0.9999999999999574,3.3306690738754696E-16,2.7755575615628914E-17,-42.7658259372108,63.751001843117,5.312583486926417,4.985981878921443,81.33311809076932,41.165090203582025,65.56475585106386,82.16400335443159,6.847000279535966,41.165090203582025,0.9970623163947323,1.609823385706477E-15,1.3415194880887307E-16,-40.875182304300694,63.76563665041218,5.313803054201015,4.98625732170348,127.97479798059256,63.1894100341802,100.49644825396105,126.64481638706576,10.553734698922145,63.1894100341802,-1.5959779122321578,5.551115123125783E-17,4.625929269271485E-18,-44.91593730028446,76.56531742008309,6.380443118340257,5.205773038821803,81.38851379323853,41.19124649705714,65.60616827821755,82.21682979396834,6.851402482830695,41.19124649705714,0.9939792008757564,1.1102230246251565E-15,9.251858538542972E-17,-41.32105857201967,63.780996101161136,5.315083008430094,4.986546335072006,177.18988547545143,86.43035420904741,137.4210506700438,173.58223792765426,14.465186493971188,86.43035420904741,-4.329177057356631,1.887379141862766E-15,1.5728159515523052E-16,-40.684304670745064,89.60925637969436,7.467438031641197,5.394550346944908,86.80568606264077,43.749111403077016,69.65716066856184,87.38280001556848,7.281900001297375,43.749111403077016,0.6925367435132657,3.885780586188048E-16,3.23815048849004E-17,-42.580845121418086,65.2829242808732,5.440243690072767,5.014476606746162,68.23455993400214,34.91323298639399,56.04572849645244,69.49015644897847,5.790846370748206,34.913232986394,2.0178571428571317,5.551115123125783E-17,4.625929269271485E-18,-44.91593730028446,56.96677703960791,4.747231419967326,4.850961886742389,0,11.996291860852363,15.999285834554785,-0.40878030604370125,0.0763547905838915,4.210854452232354,6.197098737528376,11.0,29.0,29.0,29.0,11.0,0.0,0.0,0.0,0.0,0.0,27.34172599999999,3.458641781626006,3.322221818574354,3.1029711182261392,2.788352781535553,2.5919573135690746,2.1689741873773514,1.835695162963031,1.5698872156692554,1.7158489521515932,1.6340681749541988,1.5102571273340388,1.355586346879041,1.3186445321404467,0.8505169314365085,0.7559041911909418,0.6892222456027878,3.3454071511542525,3.2174398003205718,3.0162918564511987,2.6945677649810764,2.6143790605367276,2.0824487114040586,1.820262422784408,1.6274239244614848,1.7448145045747192,1.647310455805547,1.4950173961194997,1.2978703517763535,1.2239965516693785,0.8045561217662877,0.6551821025342245,0.5558618595190253,3.5793448688308533,3.4584520378711385,3.2661825063466114,2.996519993713054,2.869950598868653,2.4465626317754245,2.19975019677563,2.0258444909893902,1.4778900658074674,1.3680562576358983,1.1987744172070547,0.9498277138508489,0.8972378397761954,0.37406443199125605,0.20064421733832333,0.07970829166040162,3.3247516478795944,3.2024383281150386,3.0131838214364306,2.7011404418228704,2.6447521827182237,2.077947199074268,1.8515166033411619,1.6871058022070518,1.7566967389760852,1.651878536007756,1.4862207840675814,1.2674041771856475,1.162090588437238,0.7739019696050018,0.5894636912375021,0.4672690700471788,3.604389317834338,3.4914702741878605,3.3135814086097084,3.0675907338724935,2.9749988847289583,2.53260553921493,2.3289050813004493,2.1900000824503505,1.4444572258057033,1.3262437230982072,1.1417002810344028,0.8643716632578252,0.7952427304666595,0.2810533002940499,0.06802482668144384,0.08203537041707426,3.751590072796873,3.652082404327906,3.4755083876026425,3.2312429385027412,2.7851247656124176,2.509911512378852,2.1779855425837478,1.8846773236756782,1.508401040733958,1.4095136329218336,1.2744126660901698,0.964433116525105,0.953475006637379,0.4854012839738777,0.3862803195996822,0.31414954733249373,0,0,0,0,0,6,0,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.071067811865477,5.914213562373096,3.8284271247461907,2.457106781186548,1.5606601717798214,0.9785533905932737,0.6035533905932737,0.36427669529663687,0.7559223176554565,0.5376557783975542,0.3828427124746191,0.2730118645762831,0.19508252147247768,0.13979334151332481,0.10059223176554562,0.07285533905932737,7.875633848974738,4.048547388496604,2.2103434310450782,1.2355985596534889,0.606493072294114,0.32618446353109126,0.1762795893042009,0.07891028542155633,0.6563028207478948,0.36804976259060035,0.2210343431045078,0.13728872885038765,0.07581163403676425,0.04659778050444161,0.02937993155070015,0.015782057084311265,15.735646651740286,30.313182811361976,28.925490196078442,29.439999999999987,17.10794850299401,233.12968502994013,0.5245215550580096,1.0104394270453991,0.9641830065359481,0.981333333333333,0.5702649500998003,7.770989500998004,0.3124,45.39000000000001,49.62873849166897,78.97647876215954,99.25747698333791,8.271456415278161,49.62873849166897,0.0,0.0,0.0,68.7263116082826,5.72719263402355,5.076158542497369,182,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.92910666003469,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.6937191358024686,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.3024743427367884,0.0,3.768418997228521,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.92910666003469,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.801115830017345,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6012345679012345,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6512371713683942,0.0,0.6181292517006802,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.801115830017345,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.163437500000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6288888888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6512371713683944,0.0,0.6369753086419753,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.163437500000001,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,27.0,2.25,0.6288888888888888,5.163437500000001,0.15437499999999993,0.6181292517006802,3.2430468727264397,0.8818707482993198,1.6634375000000001,11.85821332006938,0.8818707482993198,1.6634375000000001,11.85821332006938,5.33332,0.44444,0.0,0.05556,0.56222,0.95556,0.42632,0.56222,0.95556,0.13591,0.0,-0.13591,0.0,0.46511,0.24918,0.0,0.1875,0.0,0.0,7.5,0.625,7.5,0.625,0.0,0.0,-7.5,-0.625,0.0,0.0,8.99745,0.74979,13.87794,4.88048,0.40671,3.75864,0.31322,5.91421,2.15557,0.17963,-2.1E-4,-2.0E-5,-2.1E-4,-2.0E-5,0.0,11.04,4,4,4,4,0,0,1.0,1.3382689280764646,1.5546097612655667,2.2389205950315936,2.4225797618424916,2.923231428797621,3.056564762130954,40.14806784229394,46.638292837967,67.1676178509478,72.67739285527475,87.69694286392863,91.69694286392863,0.2727325792171043,0.31682176950447677,0.4562809280963677,0.49370975664519784,0.5957400866882588,0.6229127596336597,3.568621667532054,3.352280834342952,2.667970000576925,2.484310833766027,1.9836591668108978,1.8503258334775645,0.2754784198247612,0.32001149506858906,0.4608747126176846,0.49868037035803053,0.6017379301667802,0.6291841744948381,12.747084914919894,15.343174913189118,18.031119112860644,20.23502911459142,22.20522172592799,20.873975067794657,44.77016124871375,40.205356384600535,37.30966326629817,33.019343365543236,29.241438478732984,31.32511346305753,12.0,11.0,11.11111111111111,12,0,2,1.9,1.4706000000000008,0.09090909090909091,2.4759796968368755,0.0,0.0,5.26933192589265,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3218021521667296,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.9289999999999999,0.968,0.867,0.096,5.2059999999999995,10.0,9.0,8.0,7.0,6.0,5.0,4.0,3.0,2.0,77.0,2.4849066497880004,2.3978952727983707,2.302585092994046,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,4.356708826689592,1.0,0.45454545454545453,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,0.8181818181818182,11.0,1.0,0,6.0,11.0,0.8333333333333334,0.5,0.22222222222222232,0.125,0.08000000000000002,0.05555555555555555,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.045454545454545456,0.022222222222222233,0.013888888888888888,0.010000000000000002,0.007936507936507936,0.006802721088435375,0.00625,0.006172839506172837,0.006666666666666668,0.008264462809917356,0.13365885457335677,49.62873849166897,78.97647876215954,99.25747698333791,8.271456415278161,49.62873849166897,0.0,0.0,0.0,68.7263116082826,5.72719263402355,5.076158542497369,36.92,182.08524250997777,4.584962500721156,3.7612001156935624,4.394449154672439,5.043425116919247,5.6937321388027,6.35088571671474,7.007600613951853,7.668093709082406,8.327726166461412,8.989818381366925,80.23693111366529,3.1354942159291497,0.0,4.143134726391533,0.0,5.2832037287379885,0.0,6.484635235635252,0.0,7.720017940432244,8.070593539949519,178.120509056,5.937350301866667,22.82859467638218,1.902382889698515,11.33069323044582,11.33069323044582,0.0,286.0,9.0,-0.5500000000000002,42.0,1.2351379310344826,2.0803167159483857,2.8285632851547513,3.590975873983759,4.728026654040751,5.987840500756223,6.944813077805295,7.9087122774921115,9.437046101600563,10.230084748120865,105.41405070568962,95.28189058061557,136.5207732816524,147.71682827465307,153.30476932072733,262.50305578324077,233.5324260489818,214.64180091362917,356.98695686495495,244.5820094694775,263.07228247386445,284.97175534006504,400.33588135048143,478.5806507946701,497.23694953278664,828.5978352571684,801.8352692649755,756.4544748831065,1245.263157216094,955.2025335671124,9.985768966758622,17.173517310673244,22.827503084689035,26.727718548394673,36.93133794333383,48.12849981493926,50.917658882427034,61.597688884302706,74.27701623592328,73.71960118955674,1.7266644222944825,1.97667732297219,2.95194108630511,3.7378083407784906,3.754881340878974,6.255948967041435,6.539166122398687,5.886381378038858,9.803963132853909,8.41112467164636,185.06480363303754,350.1338250108441,470.0199305435044,577.1869024283408,821.9657498400663,987.7903089278656,1140.589312512147,1391.111778204932,1544.94252051766,1718.6945004949102,3.7055603448275853,5.542809806694517,7.93911380524704,7.383486421786898,10.334146674685803,16.521675862952183,13.50185400210528,16.93370817552859,24.672684826712675,19.149042701247783,0.4400656034482759,0.5376444370733953,0.7372169258639714,0.9034575702602978,0.9970935283988256,1.5526891743871116,1.5779841107848838,1.5669537712196149,2.381569571687052,2.0289024618625997,550.2130395625724,833.5594353989458,29.339517105358606,92.4139158023151,-140.0048452876098,-35.124932736418934,457.79912376025726,973.5642806865555,64.46444984177754,0.8561935271609606,1.2971124669453766,0.045655596704155435,0.1438064728390391,-0.21786332508899223,-0.05465835574306835,353.58173041615635,535.6677620860993,18.85436454929264,59.38767334538883,-89.97088746350883,-22.57222858180137,0.04659928162528068,0.2518323235774767,0.03370614502008399,12.74446391645996,550.2130395625724,92.4139158023151,0.8561935271609606,0.1438064728390391,967.683898648887,31.107618016313737,9.891098002793486,1142.0505481210641,33.794238386462624,10.452698945348963,1569.7828944067776,39.620485792160316,11.621973052503451,4.111532897431553,4.111532897431553,2968.5577662516275,2935.191398198863,60.08346356397033,1.0113676975454613,49.40723437308221,48.85190074093833,5.332355347279822,7.624975165417304,14.027653144319775,0.8396982075353503,5.020210728703549,5.907719936617606,16.719772306361907,18.124513506441023,8.14526281803621,7.475913860841772,13.78937249604015,10.958789718944962,3.0099284714426973,0.05784248361174888,15.533850585099305,5.349382689131029,16.155004970658883,1.201824695258439,3.217483468795393,3.9236957075705323,2.571233527199092,2.865592769609222,4.629408379338136,7.41590148272807,1.4081185752341312,1.2213742379803172,0.04364281082497618,2.2296486826408914,1.3673312733821577,0.4407047099473469,2.709490515542027,4.087141487106491E-10,1.738973885354873E-41,1.4270645594553558E-94,0.42131245613278956,6.923991247192739,1.6745836254033666,2.220374358764377,0.3648819234839553,5.5769200737864395,0.9610593503143059,2.525828074847422,0.19323331875786062,0.006441486205065465,2.9593856342451765,0.24094555085880154,7.492713333517669,0.07296431936127304,1.0089587851470536,0.22978225785212222,0.1382850700570432,0.4519646578519344,0.07948876283570269,3.785625250663741,0.10116785515954156,1.406656571122368,0.004878747929259017,0.171197498257338,0.010606587222026804,0.03698523707855988,0.019083163243227293,2.878607167998043E-12,1.224773526225009E-43,1.0050932376584796E-96,1.360045217239622,5.034109668253367,3.0555467371797516,4.220624563533454,1.3878635949429634,3.5061231258604018,3.23168899525079,2.062361680464246,0.6612928846804219,0.012163135834347104,3.8018284610813313,0.914850978094246,6.738851831633035,0.25391951568915516,0.8466858371571,0.802606847957465,0.47031773258180365,0.6120841002295819,0.46022506135649993,2.9148925560347942,0.3377138604210822,0.7679798216583524,0.008451356783734328,0.5570289375420576,0.10126766769338236,0.11939289029235864,0.19886127419062594,2.999730610833207E-11,1.2763084448616874E-42,1.0473846467360868E-95,4.738669709835423,6.920141452753311,20.21438423842482,17.466110164728274,7.469055735991074,8.516313738043143,12.880956035760933,10.879301175339073,2.800674934000026,0.06958389479825335,15.403539374412118,4.906170391202029,16.764183942983475,1.1152160820237151,3.8219295742032218,3.6364406346171183,2.369001973584658,3.6048789127607197,4.157001562789595,7.707281442529554,1.3175850128948239,1.5595666400162274,0.05481683155157788,2.091839307841124,1.2183755111505603,0.4159892583709142,2.414107268920396,3.6415694819865676E-10,1.549394424161005E-41,1.2714888302573285E-94,2.0044559737206957,4.3159401363715215,3.234213771850277,5.901930703070417,2.257906714417588,3.285109044942288,4.893704530134473,2.3574899292103018,1.0140860821249262,0.013304718579679766,4.818097521119108,1.4869797208418605,7.4419920839091604,0.3928280361737486,0.7660602562072502,1.2488753924991316,0.7458707477823152,0.58255600922811,0.8843009290681254,3.0474076527364264,0.5090278376271584,0.5333800946675233,0.008368451127760924,0.8319966333033796,0.2188126652945865,0.17596318991678922,0.4319532607034871,6.51581573061522E-11,2.7723124910329595E-42,2.2750594111890137E-95,6.062631498032049,6.549014480353339,24.31351503730037,23.39405717433557,10.876111327169784,9.83420342550707,17.29257404099244,15.536783765149428,3.831577164187391,0.08192569700950506,20.41800665586741,7.1385678074906105,20.14917495222285,1.542368013157465,4.547997223011679,5.071841992305556,3.405631443295485,4.1561218922903205,6.598636198955837,9.777954961313114,1.7561459019431584,1.51899600053167,0.06374069862068595,2.755101837227391,1.9936697009760564,0.5322149420319076,3.9515372747377273,5.960711742959328E-10,2.536129980289162E-41,2.0812395421937554E-94,3.168575986594376,9.01954854613282,20.1447332571271,11.97752290307574,3.842052769611277,11.907039930136591,7.941662098383645,8.261586887134534,1.5641153454090257,0.06931320497372398,11.764398399857978,2.5264462885188497,17.742674794653706,0.6139865955932684,4.170530180419868,1.9855348578243406,1.2551748869979138,3.8651369554693753,1.8686188581118597,8.649211063587034,0.7583386494312995,2.8772500527763607,0.05784573016592341,1.596981199485782,0.5189280471132169,0.333787909927284,1.0260792484892884,1.5477932258864818E-10,6.585463234479994E-42,5.40426815415046E-95,18.724654837430684,0.6459100740284864,0.44182761,0.945098115593544,0.03260131623825286,0.5528286514328741,0.5537133033614825,0.5333178059857927,19.81239252145917,20.652893591382576,45.80894504273344,0.9176471733903159,1.639859760780149,16.40367597465043,0.2622844623699434,0.0749650275287833,0.9798547881589407,0.015667261820462738,0.42635488854690834,0.08421258679106489,0.015353160505253337,16.740925464549157,5.551793516856791,22.61525071486255,0.969782182238411,0.5259206358432266,17.482345239644374,0.4225380384519628,0.22820271280537358,0.9641130720063952,0.02330204790646069,0.48248336912728157,0.23449716725483277,0.14227283523375905,18.13308599090171,11.472898801624499,31.291708160315444,0.9461696080095927,0.8592533716158735,18.50447710966099,0.619628651687183,0.41274044874579535,0.9471578427075098,0.03171589953792254,0.5400783185753074,0.5090642859306526,0.4654086433702066,19.536846210093966,19.35919619543647,43.62848485098981,0.9207367640612647,1.5145512478761667,18.025567969301733,0.5031740449850375,0.30935043628359676,0.9568680064926619,0.026710456289845988,0.5124688211710324,0.33575840457056505,0.26144590639828247,18.838092450570368,14.801872374172103,36.44577264712997,0.9353020097389928,1.1096731321398798,18.831649772320983,0.669003848702733,0.4629661552780028,0.9432983588815658,0.03351114959106212,0.5591510493732328,0.5939975739505813,0.5855700656476227,19.96361977630172,21.626588807438097,47.42286277190489,0.9149475383223488,1.7387186889714368,18.662980166477894,0.6296447375847629,0.4246692562135922,0.9465284645434543,0.03193362803570109,0.5492746905828148,0.5260843224775829,0.4926993888648086,19.717294160276246,19.944031917887724,44.651634573327854,0.9197926968151814,1.5680584019252062 +UMLCN0422,L,furan,C1=COC=C1,Cyclic Ethers,Aromatics,C4H4O,NREL (2014),IQT,PubChem,,7,0,-0.26050000000000006,0.06786025000000004,20.7397,10.509172,5,5,9,5,4,0,4,0,1,0,0,0.0,0.0,0.0,0.0,0.0,837.088741,865.548693,922.0168529999997,107.94470400000002,3.0481920000000002,0.0,0.0,0.0,0.0,2034.7933616853966,2334.956174881707,2728.4566688736772,945.6981927668361,93.25123329279079,0.0,0.0,0.0,0.0,70.38763599999999,71.159844,104.33744400000002,81.80351999999999,20.155392,0.0,0.0,0.0,0.0,13.577255619396,15.49955724,18.796181832000002,9.084640546547,1.3338387145469999,0.0,0.0,0.0,0.0,1432.2993182594962,1299.5599159516003,1976.1735647697003,1843.856795742447,554.7529560727469,0.0,0.0,0.0,0.0,32.25,34.0,45.0,22.0,3.0,0.0,0.0,0.0,0.0,93.00986011111111,96.172077,70.92437330769229,9.81315490909091,1.016064,0.0,0.0,0.0,0.0,226.0881512983774,259.4395749868563,209.8812822210521,85.97256297880328,31.083744430930263,0.0,0.0,0.0,0.0,7.820848444444443,7.906649333333334,8.025957230769233,7.436683636363636,6.718464,0.0,0.0,0.0,0.0,1.5085839577106668,1.7221730266666666,1.4458601409230771,0.8258764133224545,0.44461290484899996,0.0,0.0,0.0,0.0,159.14436869549957,144.39554621684448,152.01335113613078,167.6233450674952,184.91765202424895,0.0,0.0,0.0,0.0,3.5833333333333335,3.7777777777777777,3.4615384615384617,2.0,1.0,0.0,0.0,0.0,0.0,0.13685824917575154,-0.02820022123664401,-0.041071817223698084,-0.018667623113797827,0.01951053698626414,0.0,0.0,0.0,0.0,322.17700488888886,17.735079111111204,-151.17375595061716,-156.58886297530879,128.93903737037027,0.0,0.0,0.0,0.0,452.6247059836837,-42.967370030652205,-177.76903572397532,-182.6866832097346,177.1107359725202,0.0,0.0,0.0,0.0,0.9098542222222219,-0.02945955555555546,-0.3438463209876539,-0.18590582716049397,0.1042845925925923,0.0,0.0,0.0,0.0,2.1321786987755553,-0.470728744888889,-0.670413715900247,-0.56221334642179,0.6372664578231482,0.0,0.0,0.0,0.0,12.189786778108877,-3.0677790772777707,-3.5749609703817216,-2.678236144773644,3.226082803378696,0.0,0.0,0.0,0.0,5.555555555555556,0.41666666666666635,-2.552469135802469,-2.2067901234567886,1.564814814814815,0.0,0.0,0.0,0.0,0.01520647213063906,-0.0031333579151826677,-0.0031593705556690835,-0.0016970566467088934,0.006503512328754714,0.0,0.0,0.0,0.0,35.797444987654316,1.9705643456790227,-11.628750457739782,-14.235351179573525,42.979679123456755,0.0,0.0,0.0,0.0,50.29163399818708,-4.774152225628023,-13.674541209536564,-16.607880291794057,59.03691199084006,0.0,0.0,0.0,0.0,0.10109491358024687,-0.0032732839506172734,-0.0264497169990503,-0.01690052974186309,0.034761530864197435,0.0,0.0,0.0,0.0,0.23690874430839504,-0.052303193876543225,-0.05157028583848054,-0.051110304220162724,0.21242215260771605,0.0,0.0,0.0,0.0,1.3544207531232084,-0.3408643419197523,-0.2749969977216709,-0.24347601316124035,1.0753609344595654,0.0,0.0,0.0,0.0,0.617283950617284,0.04629629629629626,-0.196343779677113,-0.20061728395061715,0.521604938271605,0.0,0.0,0.0,0.0,-0.20605423061075157,-0.20776486015473394,-0.11160094413283048,0.42768054765648,0.0,0.0,0.0,0.0,0.0550476255039605,-0.3248486159207804,-0.3976638887072236,1.200635384404653,0.0,0.0,0.0,0.0,-0.09492935198327662,-0.2719048899868615,-0.3302314713495437,1.1738913075078894,0.0,0.0,0.0,0.0,-0.03237832483054663,-0.26163251999869513,-0.16717487698773123,0.34385044344099974,0.0,0.0,0.0,0.0,-0.22077358954913773,-0.2176799593827956,-0.2157383610696534,0.896641249894923,0.0,0.0,0.0,0.0,-0.25166798510266525,-0.2030366096263257,-0.17976394159628764,0.7939637162084612,0.0,0.0,0.0,0.0,0.07499999999999993,-0.31807692307692303,-0.32499999999999973,0.8450000000000001,0.0,0.0,0.0,0.0,1.015496903927219,1.2969641809073238,0.9056550423712968,0.012596015591849313,0.0,0.0,0.0,0.0,0.7119237991936637,1.1533693358469153,1.3271713128406484,0.0,0.0,0.0,0.0,0.0,0.9518869631732427,1.0785341104376036,1.2192794450683606,0.0,0.0,0.0,0.0,0.0,0.851805319728875,1.368574945188928,0.9583888940894604,0.0,0.0,0.0,0.0,0.0,1.1532377432786203,1.094143473512809,1.0360904686205366,0.0,0.0,0.0,0.0,0.0,1.202668776164265,1.1086258186482276,0.9785313974631505,0.0,0.0,0.0,0.0,0.0,0.6799999999999999,1.2738461538461536,1.2109090909090907,0.0,0.0,0.0,0.0,0.0,7.059295148177422,3.6546475740887114,5.260065614468856,7.209295148177423,1.4418590296354845,3.7332115327271076,0.2500000000000009,0.06093670065996015,0.01218734013199203,-1.3989598238425587,11.91397411260722,2.382794822521444,1.2388560031746385,7.062030348126745,3.6556479636127186,5.2612727574159095,7.21158969558596,1.442317939117192,3.7341130670010965,0.2492655790986924,0.060729793523421116,0.012145958704684223,-1.4006604344945834,11.917103317509314,2.383420663501863,1.238987310914679,9.537593421865157,4.569299471903565,6.774279553430281,9.298196735030341,1.8596393470060684,4.59700025995024,-0.398994478058027,0.05519649185766767,0.011039298371533534,-1.448427940510903,25.364050529150795,5.072810105830159,1.6166664189979902,7.06490114214966,3.6566979711842995,5.262541027296133,7.213998022281023,1.4427996044562046,3.735059475379082,0.24849480021893866,0.060512787913838406,0.012102557582767681,-1.4024502829021326,11.920402466022129,2.3840804932044257,1.239125712497623,12.350030082012278,5.586313077685379,8.859416231742227,12.133571229144446,2.4267142458288893,5.596609067189,-1.0822942643391595,0.09083894147494853,0.018167788294989707,-1.199333607222119,25.14106214128386,5.028212428256772,1.6122512256631363,7.346494681641744,3.759814433760022,5.3933870104383335,7.450375193168725,1.4900750386337447,3.828750437124126,0.17313418587830043,0.04006767555418289,0.008013535110836578,-1.6085926828226427,12.322347244862629,2.4644694489725256,1.2557072315400577,6.462139427314561,3.414050254176605,5.002262824976743,6.6566719369246385,1.3313343873849277,3.5213537744997017,0.42857142857143105,0.11449600712781882,0.022899201425563766,-1.0836076644210086,11.503766240123742,2.3007532480247486,1.2213372404471308,0,11.849999999999994,15.994915641450392,-0.3251730084793272,0.16001702385127478,4.934487899994088,5.559888939788585,5.0,9.0,7.0,4.0,0.0,2.0,0.0,0.0,0.0,5.0,6.288827999999999,3.7352196434872917,2.224169806675677,2.176736772703488,0.6842050178984314,0.4166406709890091,0.2598319265222316,0.38331277808986397,1.3441451747875706,1.5819607768384527,1.3441451747875706,0.38331277808986397,0.2598319265222316,0.4166406709890091,0.6842050178984314,2.176736772703488,2.224169806675677,3.6486200571853957,2.2597424969623887,2.0071385010214184,0.8245527622607917,0.3863478584192712,0.10993017320043685,0.23189463700233126,1.4508044638313322,1.5353176898265626,1.4508044638313322,0.23189463700233126,0.10993017320043685,0.3863478584192712,0.8245527622607917,2.0071385010214184,2.2597424969623887,3.796132056912617,2.4298929883666975,2.3261102882850926,1.3692772819317958,1.03943522989006,0.45999371847234793,0.27095939650304474,1.1784267863345848,1.4070376845878823,1.1784267863345848,0.27095939650304474,0.45999371847234793,1.03943522989006,1.3692772819317958,2.3261102882850926,2.4298929883666975,3.630338280703948,2.2867444797365235,1.9695635754954544,0.9240193198762945,0.4196879930584753,0.011338001308068332,0.13053327616042126,1.5047129645821695,1.5064209038260212,1.5047129645821695,0.13053327616042126,0.011338001308068332,0.4196879930584753,0.9240193198762945,1.9695635754954544,2.2867444797365235,3.8017090548242454,2.519318627559592,2.3675095967076585,1.5956442911012398,1.2080801058560409,0.6504016090669448,0.44526015346961684,1.1782797759439128,1.3696782975978623,1.1782797759439128,0.44526015346961684,0.6504016090669448,1.2080801058560409,1.5956442911012398,2.3675095967076585,2.519318627559592,3.852844267987465,2.3769268678414286,2.3095557749060696,1.0036858113775862,0.8037352910311769,0.10753405983624688,0.05262181683894747,1.1662956153047264,1.485364640836298,1.1662956153047264,0.05262181683894747,0.10753405983624688,0.8037352910311769,1.0036858113775862,2.3095557749060696,2.3769268678414286,0,0,2,2,0,0,0,0,0,0.0,0.0,0.17677669529663687,0.0,0.0,0.0,0.0,0.045360921162651446,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.5355339059327373,2.5,1.7677669529663687,1.25,0.8838834764831843,0.0,0.0,0.0,0.7071067811865475,0.5,0.35355339059327373,0.25,0.17677669529663687,0.0,0.0,0.0,2.7176493672223665,1.4714045207910316,0.7931484699236135,0.42538079163846554,0.22680460581325723,0.0,0.0,0.0,0.5435298734444733,0.2942809041582063,0.1586296939847227,0.08507615832769311,0.045360921162651446,0.0,0.0,0.0,5.798454711988603,9.106336489439183,8.800000000000002,8.920000000000002,6.077348502994011,67.69642035928145,0.6442727457765114,1.0118151654932426,0.9777777777777781,0.9911111111111113,0.6752609447771123,7.521824484364605,1.2795999999999998,18.708,13.999999999999993,18.618033988749886,27.999999999999986,5.599999999999996,14.000001001560843,1.1102230246251565E-16,2.2204460492503132E-17,-18.36840028483855,19.225433765858742,3.8450867531717483,1.4781170388653044,20,0.0,0.0,1.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.583333333333333,6.916666666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.341666666666667,0.0,0.0,0.0,0.0,2.341666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.916666666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.583333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.583333333333333,1.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5333333333333333,0.0,0.0,0.0,0.0,0.5333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.583333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.583333333333333,1.8333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6375,0.0,0.0,0.0,0.0,0.6375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.583333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.5,2.3,0.6375,4.583333333333333,0.45833333333333337,1.625,2.068083333333333,0.375,1.0833333333333333,2.1666666666666665,0.375,1.0833333333333333,2.1666666666666665,2.33333,0.46667,0.0,0.03333,0.60741,0.85333,0.43333,0.51282,0.85333,0.17407,0.09459,-0.07949,0.0,0.54687,0.16742,0.0,0.0,0.0,0.0,8.0,1.6,3.0,0.6,5.0,1.0,2.0,0.4,0.0,0.0,1.09208,0.21842,3.75,2.65792,0.53158,0.72903,0.14581,2.5,1.77097,0.35419,-0.086,-0.0172,-0.0,-0.0,0.5555555555555556,5.01,0,1,1,1,0,0,0.0,1.3921472236645345,1.8365916681089791,2.2810361125534238,2.2810361125534238,2.2810361125534238,2.2810361125534238,12.52932501298081,16.529325012980813,20.529325012980813,20.529325012980813,20.529325012980813,20.529325012980813,0.43917355238092665,0.579380164285695,0.7195867761904634,0.7195867761904634,0.7195867761904634,0.7195867761904634,1.7777777777777781,1.3333333333333335,0.8888888888888888,0.8888888888888888,0.8888888888888888,0.8888888888888888,0.39509656450667185,0.5212315523363716,0.6473665401660715,0.6473665401660715,0.6473665401660715,0.6473665401660715,12.397266514129882,17.730599847463218,18.178522083907662,18.178522083907662,18.178522083907662,18.178522083907662,17.37677779700861,16.47051112264961,16.31946667692311,16.319466676923113,16.319466676923113,16.31946667692311,3.2,1.44,0.64,0,5,0,1.7899999999999998,0.5363000000000004,0.0,0.0,0.0,0.0,4.242640687119286,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.16199999999999998,0.172,0.47700000000000004,0.395,2.0629999999999997,5.0,5.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,25.0,2.1400661634962708,2.505525936990736,2.883403088580071,3.2700441114426,0.0,0.0,0.0,0.0,0.0,0.0,4.203759348207967,2.6375,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.000000000000002,8.618033988749897,12.000000000000004,2.4000000000000004,6.006204681249255,0.0,0.0,0.0,13.967595206243132,2.7935190412486266,1.3183700092986783,13.14,58.001247802427926,3.321928094887362,3.044522437723423,3.713572066704308,4.394449154672439,5.081404364984463,5.771441123130016,6.46302945692067,7.155396301896734,7.848153086199526,8.54110501146255,62.01307300369413,2.3978952727983707,0.0,3.4339872044851463,2.3978952727983707,4.61512051684126,4.2626798770413155,5.860786223465865,5.8888779583328805,7.147559271189454,7.698936199813447,68.026214748,7.558468305333333,9.6875,1.9375,2.875,2.875,0.0,15.0,0.0,0.7090000000000001,20.0,1.4121758065217862,2.512718458969402,3.4316651498879427,4.50148782980683,0.0,0.0,0.0,0.0,0.0,0.0,157.2885454004694,184.69829278325977,35.220446384019425,4.573799730304846,0.0,0.0,0.0,0.0,0.0,0.0,401.01115386394736,535.7115695971133,303.2802733104908,139.92309726065844,0.0,0.0,0.0,0.0,0.0,0.0,11.390599484802678,20.224173110787913,25.694997982538986,30.243083930995322,0.0,0.0,0.0,0.0,0.0,0.0,2.5668952118422808,3.6593370847178273,2.8830019113056102,2.001419580152836,0.0,0.0,0.0,0.0,0.0,0.0,202.0439420263861,381.29109225996365,573.149919862566,832.4045601036113,0.0,0.0,0.0,0.0,0.0,0.0,5.811861342098661,8.845447591544353,7.0640108717421235,4.50148782980683,0.0,0.0,0.0,0.0,0.0,0.0,0.6051387096448547,0.8793636380950923,0.6874333362753892,0.4609523537722194,0.0,0.0,0.0,0.0,0.0,0.0,200.86122787407518,80.0655841486865,13.186508767440944,86.95010531033074,-34.659307060623505,-15.03834650556447,113.91112256374444,114.72489120931,28.224855273005414,0.6978920032498502,0.2781877393875488,0.04581650285116503,0.3021079967501496,-0.12042370492205967,-0.0522507100021983,57.81013777949434,23.0437825160217,3.795226668405036,25.025225729890785,-9.975341372365746,-4.328206556655562,0.22468899100868744,0.8157383994105761,7.734223576378464,33.49953960360414,246.7448103533001,41.066522831105814,0.8573144345056287,0.14268556549437109,332.07022699260716,18.222794159859436,6.924843767792441,371.66762049417986,19.278683059124653,7.189823718642186,452.94110844955253,21.282413125619765,7.679752892629541,2.652708233258019,2.652708233258019,148.00868327284286,84.99932807218451,66.72113130570061,1.7412923917133618,2.218317950795854,1.2739491433791414,2.951952922241848,3.3786118149565048,4.710721682549068,0.394277277340816,1.442268341934293,0.8121526009602426,2.6201627331423305,3.620746427461293,1.4451785951573979,1.4249818491530655,1.648071043721889,0.4416003288736317,2.3219282182316712E-4,8.81413220517946E-28,6.454992120749194E-73,9.117752060984085E-140,2.4840237557838636E-228,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.12106984218638106,0.8884080231324599,1.387038560570128,2.1528083054343727,1.3693737933659023,0.12774506861482265,0.07785355803010581,0.0031102280260155405,1.6353530294128678E-6,6.207865381111263E-30,4.546303730070839E-75,6.4217073281108715E-142,1.749518241889663E-230,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3907542984273044,0.7466512084370848,1.113319114364834,1.8141654107474225,0.8350207170816816,0.3634315089112847,0.19704386515906266,0.032410966591105116,1.7041639430295244E-5,6.469074356054639E-29,4.7375990085938534E-74,6.691914152129008E-141,1.823132896614494E-229,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3613856997851912,0.8880946743584315,3.05594734951094,3.675819786396543,1.7521865147336129,1.4364255903299086,1.6992231979866244,0.39345794545188373,2.068796239511146E-4,7.853233109211467E-28,5.751281766862786E-73,8.123752934500423E-140,2.213220445176256E-228,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5758843347991298,0.6927808372339734,1.0283983695353232,1.7902325578580678,0.6570805415575357,0.5082180137142857,0.2832425888552771,0.07040094865116205,3.701671805940859E-5,1.405169394194113E-28,1.0290698116044699E-73,1.453573175634512E-140,3.960088270547479E-229,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7417412068798335,0.8602416288065912,3.34707811092829,4.5646543179765375,1.748100309529448,1.7948867252364438,2.4048184754340225,0.6440325773848098,3.386314087824858E-4,1.2854583455246139E-27,9.413999357800345E-73,1.3297384480265585E-139,3.622715195351157E-228,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7211510199225432,0.9844020889741836,2.70772823114483,2.878864316650716,1.9740787279319236,0.8222556155255012,0.8072435581964098,0.11040008700492895,5.804820545579178E-5,2.203533051294865E-28,1.6137480301872984E-73,2.2794380152460213E-140,6.210059389459659E-229,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0037543110059683,1.5734048007540349,0.08231006695544218,0.5475532688348342,0.42995437969676653,0.41061902995147775,0.45516452114366757,0.3825648638914124,3.659469178715445,3.44715285846762,7.366122355939275,0.46626147279740116,1.2483484149865576,1.3213969350010148,0.9562792306871295,0.029049939206035047,0.5728451818347257,0.41456123839678766,0.37401210650571637,0.11641842057748472,0.04225965943757482,2.30672610489418,1.3297907985793767,3.673225116763656,0.4811096303472701,0.5326901865207759,1.3939934566069567,1.218777077787721,0.046415936114106215,0.52421801632446,0.45832704524648527,0.20021755375224728,0.2735425684257321,0.12166216555078016,2.659186470508784,1.8202414617039133,4.558287088546535,0.4738175923564179,0.5954222877287595,1.913936270280353,1.5958516148655923,0.07941452610833455,0.5332483518563976,0.4446256945168794,0.38155949097382774,0.4694192968579866,0.3602544049174747,3.5892024112542797,3.333086429316369,7.164849256551561,0.4668110695599156,1.211233192749289,1.6048766685023337,1.2384920613814634,0.055494899207754855,0.5536226859368584,0.42723364043502216,0.2668660223346185,0.2865529136398933,0.17072228008885848,2.8988636290915517,2.1454194745118538,5.154586264376673,0.47128448955782076,0.7241412160633703,2.083195963618525,1.6459499326561613,0.08783986470400507,0.5457699069551636,0.4312172053359017,0.4440308352680005,0.4973328364161945,0.43742937446033475,3.8169857609786915,3.7564039270177623,7.874578200818096,0.46548066843659797,1.37879304614453,1.947655446055943,1.5683012830343916,0.07994812198034684,0.5416315299544225,0.4361353673102417,0.3884881329529265,0.45157533987306353,0.36305729508885126,3.5959048510706815,3.335604672413391,7.175711904323185,0.4666503458969964,1.2031207679148412 +UMLCN0423,L,"2,3,4-trimethylpentane",CC(C)C(C)C(C)C,Alkanes,,C8H18,Kubic (2016),Unknown,PubChem,,14,0,1.279199999999999,1.6363526399999975,37.0709,26.082273999999977,0,0,26,8,18,0,8,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1172.4021199999981,1227.7764309999995,1604.1881609999978,1631.4553999999973,1098.9343719999958,339.34118400000136,36.578304,0.0,0.0,3947.6426137513863,5029.877406914642,7031.5870751003595,8276.550291400152,7433.630805762468,4245.698525577108,1119.0147995134885,0.0,0.0,181.25648000000004,180.9009880000001,339.4647719999999,445.00803200000007,563.4505120000002,493.3094399999996,241.86470400000016,0.0,0.0,30.314232287281975,39.56609758000001,58.49435701273506,72.18430316243297,72.148049879413,48.066482872752076,16.00606457456401,0.0,0.0,4342.872585156482,3643.766351462201,7589.8551302833375,9976.611746222437,13474.032457773217,12550.988442273554,6657.035472872964,0.0,0.0,43.333333333333336,50.888888888888886,76.11111111111114,106.33333333333334,124.99999999999997,96.0,36.0,0.0,0.0,45.09238923076916,49.11105723999998,33.420586687499956,25.896117460317416,13.567091012345628,4.713072000000019,1.016064,0.0,0.0,151.83240822120717,201.19509627658567,146.49139739792415,131.37381414920875,91.77321982422801,58.96803507745983,31.083744430930235,0.0,0.0,6.971403076923078,7.236039520000004,7.072182749999999,7.063619555555556,6.95617916049383,6.8515199999999945,6.718464000000004,0.0,0.0,1.1659320110493068,1.5826439032000004,1.2186324377653137,1.1457825898798883,0.8907166651779382,0.6675900398993344,0.4446129048490003,0.0,0.0,167.033560967557,145.75065405848804,158.12198188090287,158.35891660670535,166.34607972559527,174.31928392046603,184.917652024249,0.0,0.0,1.6666666666666667,2.0355555555555553,1.5856481481481488,1.687830687830688,1.5432098765432096,1.3333333333333333,1.0,0.0,0.0,0.035356453942505264,-0.008760398351466041,0.0038041513978714983,-0.009513052317063153,-0.015444236829204278,-0.007079366353782824,0.019314675482392116,0.0,0.0,670.519434461538,-58.02572028994014,75.21852630177564,-320.93237888757335,-375.3762645917161,-68.77122404733831,412.6273442840225,0.0,0.0,1246.859520586465,-107.9013046661365,139.87206160425058,-596.7874628448038,-698.0281931488296,-127.88302775245727,767.2981665147471,0.0,0.0,0.13135015384615364,-0.011366840236684102,0.014734792899409984,-0.06286844970413995,-0.07353363313609493,-0.013471810650890481,0.08083086390532228,0.0,0.0,5.57404219300985,-0.48236903593353003,0.6252931947286801,-2.6679176308423065,-3.1205108003602087,-0.571696635180515,3.430179811082961,0.0,0.0,30.27828565910215,-2.6202362589608956,3.3966025579119994,-14.492170913758374,-16.950664193770784,-3.105465195805129,18.632791174832267,0.0,0.0,3.9487179487179493,-2.3182117028270883,1.128862590401052,-0.08086785009861963,-0.9171597633136082,-1.7041420118343202,1.917159763313611,0.0,0.0,0.0013598636131732793,-3.5041593405864166E-4,7.925315412232288E-5,-1.5100083042957386E-4,-1.9066959048400344E-4,-9.832453269142812E-5,5.36518763399781E-4,0.0,0.0,25.789209017751464,-2.3210288115976057,1.5670526312869926,-5.0941647442471965,-4.634274871502668,-0.9551558895463654,11.461870674556181,0.0,0.0,47.95613540717173,-4.31605218664546,2.914001283421887,-9.472816870552442,-8.617632014183082,-1.7761531632285732,21.313837958742976,0.0,0.0,0.005051928994082832,-4.546736094673641E-4,3.0697485207104133E-4,-9.979119000657133E-4,-9.07822631309814E-4,-1.871084812623678E-4,0.002245301775147841,0.0,0.0,0.21438623819268654,-0.019294761437341202,0.0130269415568475,-0.04234789890225883,-0.038524824695805045,-0.007940231044173818,0.09528277253008226,0.0,0.0,1.1645494484270058,-0.10480945035843582,0.07076255328983332,-0.2300344589485456,-0.20926745918235537,-0.04313146105284901,0.5175775326342297,0.0,0.0,0.15187376725838267,-0.09272846811308354,0.023517970633355253,-0.0012836166682320576,-0.011322960040908743,-0.023668639053254448,0.05325443786982253,0.0,0.0,-0.25768461679839816,0.058280222630108805,-0.11104115807408749,-0.14021228940678152,-0.07230470154428584,0.3945386568200025,0.0,0.0,-0.08999999999999898,0.060763888888889325,-0.19753086419753063,-0.17969821673525394,-0.03703703703703762,0.4444444444444435,0.0,0.0,-0.0900000000000001,0.06076388888888876,-0.1975308641975309,-0.1796982167352529,-0.03703703703703684,0.44444444444444414,0.0,0.0,-0.08999999999998202,0.060763888888895994,-0.19753086419752466,-0.17969821673525468,-0.03703703703704509,0.44444444444442777,0.0,0.0,-0.08999999999999726,0.06076388888888996,-0.19753086419752974,-0.17969821673525338,-0.037037037037038166,0.4444444444444414,0.0,0.0,-0.09000000000000455,0.06076388888888708,-0.19753086419753194,-0.17969821673525296,-0.03703703703703441,0.44444444444444864,0.0,0.0,-0.6105627705627708,0.15485209235209235,-0.008451865594722767,-0.07455507455507444,-0.15584415584415587,0.3506493506493509,0.0,0.0,1.7933132401391245,0.9586828329433675,1.2571296265845868,1.145383690708366,0.8635437165699085,0.0,0.0,0.0,1.625000000000002,1.1284722222222237,1.361331569664905,1.11454046639232,0.7523148148148159,0.0,0.0,0.0,1.6249999999999982,1.1284722222222208,1.3613315696649013,1.1145404663923169,0.7523148148148139,0.0,0.0,0.0,1.6250000000000002,1.128472222222222,1.3613315696649029,1.1145404663923182,0.7523148148148147,0.0,0.0,0.0,1.6249999999999991,1.1284722222222217,1.3613315696649015,1.1145404663923169,0.7523148148148144,0.0,0.0,0.0,1.6249999999999991,1.1284722222222217,1.3613315696649013,1.1145404663923169,0.7523148148148144,0.0,0.0,0.0,2.222943722943723,0.6448412698412695,1.1054421768707479,1.1463844797178127,1.055194805194805,0.0,0.0,0.0,33.6158009656298,16.807900482814905,24.272002097952658,33.6158009656298,4.201975120703725,16.807900625167548,3.552713678800501E-15,8.326672684688674E-16,1.0408340855860843E-16,-27.77751803930787,3000010.528592104,375001.316074013,11.931301084925543,33.6158009656298,16.807900482814905,24.272002097952658,33.6158009656298,4.201975120703725,16.807900625167548,3.552713678800501E-15,8.326672684688674E-16,1.0408340855860843E-16,-27.77751803930787,3000010.528592104,375001.316074013,11.931301084925543,33.6158009656298,16.807900482814905,24.272002097952658,33.6158009656298,4.201975120703725,16.807900625167548,3.552713678800501E-15,8.326672684688674E-16,1.0408340855860843E-16,-27.77751803930787,3000010.528592104,375001.316074013,11.931301084925543,33.6158009656298,16.807900482814905,24.272002097952658,33.6158009656298,4.201975120703725,16.807900625167548,3.552713678800501E-15,8.326672684688674E-16,1.0408340855860843E-16,-27.77751803930787,3000010.528592104,375001.316074013,11.931301084925543,33.6158009656298,16.807900482814905,24.272002097952658,33.6158009656298,4.201975120703725,16.807900625167548,3.552713678800501E-15,8.326672684688674E-16,1.0408340855860843E-16,-27.77751803930787,3000010.528592104,375001.316074013,11.931301084925543,33.6158009656298,16.807900482814905,24.272002097952658,33.6158009656298,4.201975120703725,16.807900625167548,3.552713678800501E-15,8.326672684688674E-16,1.0408340855860843E-16,-27.77751803930787,3000010.528592104,375001.316074013,11.931301084925543,47.47185149725846,23.579675748629235,35.53737954808535,47.23747649725847,5.904684562157309,23.579675748761787,-0.3124999999999929,3.3306690738754696E-16,4.163336342344337E-17,-28.510550624807195,3000010.1514059133,375001.26892573916,11.931300984342904,0,11.889999999999999,12.110114161591722,-0.16330041899422543,0.057616875259851985,6.06429384174904,8.899505149058353,7.0,25.0,25.0,25.0,7.0,0.0,0.0,0.0,0.0,0.0,19.677725999999996,3.591951481624739,3.1125998766762337,2.662230329687452,2.333552793103049,2.3335527931030455,1.7275781704401558,1.1628377907398868,0.7546945346926569,1.9551196188117528,1.667247237489144,1.4160692809694997,1.2496297225843562,1.249629722584355,0.7665214669492912,0.4403442888895919,0.263051867639691,3.615591377939746,3.1507138345875356,2.7177322520435387,2.4054545878412905,2.4054545878412883,1.8110002982200792,1.2696909155890734,0.8911557936288931,1.9003295790781243,1.5885766696580828,1.3160296481426876,1.1345406859483513,1.1345406859483504,0.6392892426522052,0.2900002767326541,0.0961756443874944,3.7209962651148882,3.318028628441954,2.955102187168663,2.70423698723352,2.7042369872335197,2.1550187351768053,1.702702127100774,1.4214388112181076,1.7423247816734562,1.3512179951585788,1.000891147036564,0.760318560430898,0.7603185604308978,0.21893136726546666,0.21832409322109425,0.48526500450750787,3.633084654261886,3.1788055441118357,2.758321102656986,2.4575399160416933,2.4575399160416924,1.8713244883646634,1.3465506406215024,0.9878484841623353,1.8657142522466976,1.5379078067250231,1.2504965149783265,1.058262670532712,1.0582626705327107,0.5544573101255273,0.18889388699035964,0.017198329940603413,3.7731942104687706,3.398793114336887,3.065768217024568,2.8389820851496497,2.8389820851496492,2.3081776282643016,1.8911821136059481,1.6426281177533255,1.6940628705283487,1.2757669623783685,0.8961651671072233,0.6313372621875601,0.6313372621875599,0.0715963233901426,0.4010813803597145,0.7026354793631044,3.5856798537504164,3.228626935421266,2.873197549456519,2.6126008182063587,2.6126008182063574,1.9208805066143317,1.3924422265968388,1.076301453154963,1.901729854086703,1.4718829462636613,1.1226456635413369,0.8983151039206437,0.8983151039206437,0.47259647249715053,0.10156716813539611,0.13615072238705425,0,0,0,0,0,5,0,3,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8591167563965418,0.0,0.3849001794597505,0.0,0.8591167563965418,0.0,0.3849001794597505,0.0,1.8213672050459182,1.5396007178390023,0.9622504486493764,1.8213672050459182,1.5396007178390023,0.9622504486493764,6.732050807568878,3.5534180126147956,3.347150628109127,2.1031336922528343,0.769800358919501,0.0,0.0,0.0,0.8415063509461097,0.5076311446592565,0.37190562534545857,0.2628917115316043,0.19245008972987526,0.0,0.0,0.0,6.732050807568878,3.5534180126147956,3.347150628109127,2.1031336922528343,0.769800358919501,0.0,0.0,0.0,0.8415063509461097,0.5076311446592565,0.37190562534545857,0.2628917115316043,0.19245008972987526,0.0,0.0,0.0,12.876450234072873,24.99053168244719,23.52941176470589,23.84,15.18699041916167,200.51160119760482,0.49524808592587977,0.9611742954787381,0.9049773755656112,0.916923076923077,0.5841150161216027,7.711984661446339,2.9345000000000017,38.839999999999996,16.807900482814905,24.272002097952658,33.6158009656298,4.201975120703725,16.807900625167548,8.326672684688674E-16,1.0408340855860843E-16,-27.77751803930787,3000010.528592104,375001.316074013,11.931301084925543,43,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.444444444444446,0.0,0.0,0.0,0.0,0.0,2.5555555555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2824074074074074,0.0,0.0,0.0,0.0,0.0,0.8425925925925924,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.314814814814815,0.0,0.0,0.0,0.0,0.0,0.8703703703703702,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.0,1.75,0.2,2.314814814814815,0.2,0.8425925925925924,6.030111111111112,0.4907407407407408,0.3148148148148148,2.8888888888888893,0.4907407407407408,0.3148148148148148,2.8888888888888893,4.0,0.5,0.0,0.0,0.42308,0.7,0.42308,0.42308,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.625,0.375,0.0,3.5,0.4375,3.5,0.4375,0.0,0.0,-3.5,-0.4375,0.0,0.0,9.55523,1.1944,9.55523,0.0,0.0,3.5534,0.44417,3.5534,0.0,0.0,0.3606,0.04508,0.3606,0.04508,0.0,7.0,0,0,0,0,0,0,1.0,0.8904916402194915,1.1841636411194805,1.7401363754207824,1.773011489738988,1.9020437131752839,1.5744152526979074,23.15278264570678,30.788254669106493,45.24354576094034,46.09829873321369,49.45313654255738,40.93479657014559,0.1894485821789581,0.2519261414095505,0.37020714651542497,0.37720119734673885,0.4046522936640266,0.33495063166570077,3.809948077921601,3.516276077021612,2.9603033427203105,2.9274282284021047,2.7983960049658085,3.1260244654431855,0.19175693730143042,0.25499576057649725,0.3747179723722662,0.3817972429126832,0.4095828198477337,0.3390318710050931,6.648700044059478,10.172764054859346,11.897787502864505,11.127588665416152,11.599798072957988,6.153459082792093,31.725216152945546,26.803818516890026,26.168376252265414,27.361504105420536,22.46306766127161,17.796614849206133,8.0,3.111111111111111,2.8125,8,0,5,2.34,1.2358000000000005,3.2219700748862707,0.0,8.480997324418835,0.0,0.0,0.0,0.0,2.381101577952299,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.139,0.124,0.010000000000000009,-0.0050000000000000044,3.082,9.0,8.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,36.0,2.0794415416798357,2.302585092994046,2.1972245773362196,1.6094379124341003,0.0,0.0,0.0,0.0,0.0,0.0,3.6109179126442243,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.2857142857142857,7.0,1.0,0,2.0,4.0,1.0,2.5,1.333333333333334,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.35714285714285715,0.14814814814814822,0.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5677910052910053,16.807900482814905,24.272002097952658,33.6158009656298,4.201975120703725,16.807900625167548,8.326672684688674E-16,1.0408340855860843E-16,-27.77751803930787,3000010.528592104,375001.316074013,11.931301084925543,0.0,146.92433570773346,4.0,3.4965075614664802,4.204692619390966,4.976733742420574,5.713732805509369,6.48768401848461,7.229113877793302,8.0040315078527,8.74623928838306,9.521421537856195,73.38015695915725,2.70805020110221,0.0,3.9318256327243257,0.0,5.332718793265369,0.0,6.80128303447162,0.0,8.297792626380861,8.55468163582723,114.14085057599999,4.3900327144615385,14.335089041004249,1.791886130125531,0.0,0.0,0.0,65.0,8.0,4.709,32.0,1.2277999999999998,2.116269587850176,2.915232296951865,3.5142344780306747,4.183463302197703,4.602106348423103,0.0,0.0,0.0,0.0,71.22212779891994,80.9108641728588,83.76920885195001,52.57707077209074,20.238172607925762,4.676034584804171,0.0,0.0,0.0,0.0,272.54988247666296,338.9957227057044,405.27777694774784,342.31043824146406,250.6217732485064,143.0506975783454,0.0,0.0,0.0,0.0,8.919363222559998,15.031897884159994,20.637192627866426,24.513922305694162,28.681840887136715,30.919085826052083,0.0,0.0,0.0,0.0,2.0816483842615985,2.755510685889685,3.4721856007647633,3.268709371305473,2.8242740308394465,2.0461558719964197,0.0,0.0,0.0,0.0,176.77647004622912,329.94254162689396,458.489642072495,579.3239784152937,727.7641558309473,851.0107003162904,0.0,0.0,0.0,0.0,2.5425511111111105,3.495429444337297,5.046591668129285,5.593293360916387,5.624944823763393,4.602106348423103,0.0,0.0,0.0,0.0,0.43219890000000005,0.5796530585977976,0.7366530749918293,0.7064414986595596,0.6267344995124832,0.4712556900785257,0.0,0.0,0.0,0.0,374.0838362292655,163.4194675023638,8.966252161106587,105.44732834327705,-46.064931383039365,-6.117182888429073,268.63650788598846,209.48439888540315,15.083435049535659,0.7801032839288485,0.3407900874347491,0.018697955051783063,0.2198967160711516,-0.09606243511639535,-0.012756590896197484,179.38485763478394,78.36472756523328,4.299597340666517,50.565280161514906,-22.089570192063125,-2.933379834391623,0.06890301958930946,0.14264854374094726,1.012119214357032,6.8143924822768485,479.5311645725425,0.0,1.0,0.0,434.5709840230496,20.84636620668095,7.574493114672902,608.9376334952269,24.676661716999465,8.475999811250391,795.6535896355869,28.207332196356088,9.26633525377109,1.229211372102372,1.0115179175285558,455.1651293576333,307.5635353969796,187.00056078894806,1.4799060258237076,2.434030825561749,1.6447198559158382,4.04318675784478,3.220223780314462,6.424248771333048,0.9949696696872741,5.020218391104151,6.68292585695949,3.0752082937523983,30.076507297243083,6.811684238408907,3.739997043022033,10.367300037124009,22.56842953362017,7.993492681464031,6.855421145699127,1.6059374633403785,1.1267105556193644,8.026179379330098E-15,1.1027775070766132E-50,2.922421574368591E-108,1.4937356959976128E-187,1.4725857105471169E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.42131149402309426,6.6429587612488294,0.18176117348464574,10.800937825389283,2.032005543010335,0.16964104862492918,0.8451662728641405,1.1498812119629656,1.0839068504282336,0.08542821596497964,0.01131181722837488,0.00793551456903712,5.652903763146804E-17,7.766952151257983E-53,2.0582854100911538E-110,1.0520502642636408E-189,1.0371541565773973E-290,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.360045287752176,6.651073578712745,0.6370364802823716,13.438277015899553,2.3719577121563358,0.6425592201248156,2.347647934361985,4.12185993026939,1.7080234616361643,0.5985816200924353,0.11786946863268495,0.08269418012325926,5.890761562370021E-16,8.093762976769341E-52,2.1448920919542476E-109,1.0963174888644457E-188,1.0807945961594407E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.738676199722326,6.680463775228745,2.850195101846803,28.437558881106522,6.294192445840876,3.4309049248733854,9.628283832848405,20.76192644813096,7.292333973486326,6.1336333015940605,1.4308621029050104,1.0038788202755218,7.151181327321846E-15,9.825549049035864E-51,2.6038250088215056E-108,1.3308916125998413E-187,1.312047356338111E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.00445694926016,6.656657008763909,0.9897536374380658,15.633897818737108,2.794071408518359,1.0431751072187743,3.5100525931792435,6.577720205209771,2.3699219155057287,1.2087941591966562,0.2560256073716496,0.17962280937213826,1.2795521276069771E-15,1.7580734727794887E-51,4.658992238421625E-109,2.3813480830224867E-188,2.347630285795412E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.062642863884813,6.692059237539212,3.962693228271512,36.665855541716866,8.983061505001825,4.987201836139737,13.280759252359179,29.819444802262637,10.905396226052567,9.876831019324445,2.342105377045789,1.64320145534066,1.1705428311790764E-14,1.6082973533066026E-50,4.26207721244045E-108,2.1784731289823603E-187,2.147627862911711E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0963680803538276,5.2589622250565276,1.3017602814236897,18.6268110174686,3.7695396924077578,1.8235887735979321,5.347271605690942,10.641215369092228,3.947585519588915,2.396269648600772,0.5243922807700245,0.3679054875491802,2.6207932667200315E-15,3.600906145556288E-51,9.542601059162744E-109,4.877504313461592E-188,4.808443136480382E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.201630821470211,2.1388353526603936,0.5775024998391918,0.5410016507104194,0.36141376720496476,0.4899472745501195,0.5277878220012707,0.486640038802377,5.917968673969796,9.931893752994693,19.804461630832485,0.3536231268730761,1.5043751353537673,2.5218807822546605,1.4657799147415758,0.17307112303586458,0.6061147152318035,0.3522889669755901,0.3039876542580385,0.2477460367543032,0.04395946511981048,4.160731820032101,4.386671113116771,9.187164181284022,0.4376055233110904,0.5956931561321522,2.8020463774453837,1.7431682106402673,0.33977950582976346,0.5736028178489548,0.3568414162079539,0.3752817801821497,0.3504682075621912,0.1690006735049067,4.884994093915415,6.428808936532487,12.973435018073411,0.3956663510853632,0.8947506612492476,3.1857939059193425,2.123152878631353,0.5680815289142289,0.5420756436752797,0.3612629998339423,0.4851121992962674,0.5200703394277165,0.4709478956185006,5.877028313464924,9.779842108370714,19.499332698681606,0.35500796526383305,1.4761304343424846,2.922486837391478,1.8624231094172101,0.41143744274864247,0.5624117516208709,0.35841004647995006,0.40823662923386345,0.4001000045581081,0.24754807071745885,5.196347389557331,7.411598135223015,14.84736127141144,0.38123269715123137,1.0558847045094304,3.250907451767256,2.18763181935753,0.60681550920811,0.5377529640350142,0.36186988172711765,0.5051449943325338,0.5521650079478393,0.5371002211142019,6.045354780332895,10.411978560428444,20.772876951300297,0.3494342686431976,1.5944102233945747,3.193883018440859,2.130491978519391,0.5682338958335014,0.5420151034199393,0.3615532639752884,0.4875788428998868,0.5236815739001017,0.471113904217703,5.892608892793751,9.830032498518761,19.589212887205314,0.3553525510928416,1.4823743210176916 +UMLCN0424,L,"1,1,2,4-tetramethylcyclopentane",CC1CC(C(C1)(C)C)C,Naphthenes,,C9H18,Kubic (2016),Unknown,PubChem,,34.2,0,1.5646000000000004,2.4479731600000014,40.3153,27.84227399999997,0,0,27,9,18,0,9,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1316.666240999998,1516.3046729999994,2348.706877999998,2108.616729999998,1042.5537389999984,266.69865600000037,27.433728000000002,0.0,0.0,4371.159515500713,5876.911210413299,9347.56107215713,10803.951234672471,8164.7897687002,3557.2788273539973,839.2610996351166,0.0,0.0,188.79699600000006,195.9820200000001,384.68415200000004,540.3788560000007,699.3927480000011,450.60364799999974,181.39852800000006,0.0,0.0,33.10313228728198,45.143897580000015,74.22133272788594,93.3557475981879,82.70960931214788,41.385217012752015,12.004548430923007,0.0,0.0,4469.666941246483,3897.3550636422015,8345.154354134887,11755.572961687585,17039.738168324347,11632.253155996154,4992.776604654723,0.0,0.0,43.61805555555556,52.54166666666667,86.15277777777777,129.00000000000003,141.25,84.0,27.0,0.0,0.0,48.76541633333326,56.159432333333314,43.49457181481478,27.744956973684182,10.322314247524735,4.0408887272727325,1.016064,0.0,0.0,161.89479687039676,217.66337816345552,173.10298281772464,142.15725308779568,80.83950266039801,53.89816405081814,31.083744430930242,0.0,0.0,6.992481333333336,7.258593333333336,7.123780592592594,7.110248105263167,6.924680673267337,6.827327999999996,6.718464000000002,0.0,0.0,1.2260419365659994,1.6719962066666672,1.3744691245904803,1.2283650999761566,0.8189070228925532,0.6270487426174548,0.4446129048490003,0.0,0.0,165.54322004616603,144.34648383860005,154.53989544694235,154.67859160115245,168.71027889430047,176.24625993933566,184.917652024249,0.0,0.0,1.6154835390946503,1.9459876543209877,1.5954218106995883,1.6973684210526319,1.3985148514851484,1.2727272727272727,1.0,0.0,0.0,0.0347837157583148,-0.0071743931605931024,0.012994021261516811,-0.02895417186900984,-0.012872208746652576,0.00391537297717195,0.014699521658409298,0.0,0.0,726.3960540000007,6.323830348264892E-13,242.13201800000053,-753.2996115555532,-376.64980577777584,161.42134533333203,363.19802699999923,0.0,0.0,1350.7644806353373,-7.531752999057062E-13,450.2548268784444,-1400.7927947329408,-700.3963973664664,300.16988458563054,675.3822403176684,0.0,0.0,0.14229599999999987,2.048708425128609E-15,0.04743200000000201,-0.14756622222221935,-0.07378311111111271,0.03162133333333037,0.07114799999999787,0.0,0.0,6.038545709094,1.7263968032921184E-14,2.0128485696980167,-6.262195550171531,-3.1310977750857987,1.3418990464653087,3.0192728545469825,0.0,0.0,32.80147613069398,-1.9806378759312793E-13,10.933825376897792,-34.016345617016185,-17.00817280850773,7.289216917932295,16.400738065347177,0.0,0.0,3.4881687242798325,-2.014660493827159,1.8292181069958862,-1.7673658741045555,-0.3127381496723085,-0.7750914494741705,1.2965534979423858,0.0,0.0,0.001288285768826474,-2.6571826520715194E-4,2.4063002336142242E-4,-3.809759456448663E-4,-1.274476113529958E-4,5.9323832987453795E-5,5.444267280892332E-4,0.0,0.0,26.903557555555583,2.342159388246256E-14,4.4839262592592695,-9.911836994152015,-3.729205997799761,2.4457779595959397,13.451778777777749,0.0,0.0,50.02831409760509,-2.789538147798912E-14,8.338052349600822,-18.431484141222906,-6.934617795707588,4.548028554327735,25.014157048802534,0.0,0.0,0.005270222222222217,7.587808981957812E-17,8.783703703704076E-4,-0.0019416608187134126,-7.305258525852744E-4,4.7911111111106626E-4,0.002635111111111032,0.0,0.0,0.22364984107755553,6.394062234415254E-16,0.03727497351292624,-0.08239730987067803,-0.031000968070156423,0.02033180373432286,0.11182492053877713,0.0,0.0,1.214869486321999,-7.335695836782516E-15,0.2024782477203295,-0.4475834949607393,-0.16839775057928447,0.11044268057473175,0.6074347431610065,0.0,0.0,0.1291914342325864,-0.0746170553269318,0.033874409388812705,-0.023254814132954677,-0.003096417323488203,-0.011743809840517734,0.048020499923792065,0.0,0.0,-0.20625723860102885,0.18678311069182832,-0.2957231655146708,-0.09892805962538145,0.0460486597173957,0.4225977972147924,0.0,0.0,8.7057608771989355E-16,0.16666666666666688,-0.3684210526315774,-0.13861386138613777,0.09090909090909008,0.4999999999999984,0.0,0.0,-5.575918753441364E-16,0.16666666666666616,-0.36842105263157854,-0.13861386138613765,0.0909090909090909,0.4999999999999998,0.0,0.0,1.4397512404625647E-14,0.1666666666666739,-0.36842105263157215,-0.13861386138614176,0.09090909090908249,0.4999999999999855,0.0,0.0,2.858961224210292E-15,0.16666666666666807,-0.3684210526315775,-0.13861386138613954,0.09090909090908925,0.49999999999999717,0.0,0.0,-6.038258363860332E-15,0.16666666666666363,-0.36842105263158126,-0.13861386138613652,0.09090909090909466,0.5000000000000058,0.0,0.0,-0.5775696799882023,0.26220321486506454,-0.18000275537686566,-0.0239676673757925,-0.09090238768752328,0.3717003391830114,0.0,0.0,1.654231546809265,0.8336950401759919,1.475462259693449,0.9962030286141541,0.7358197637109611,1.7556851519776388E-5,0.0,0.0,1.4444444444444438,1.0432098765432096,1.539473684210526,0.9867986798679865,0.5909090909090906,0.0,0.0,0.0,1.4444444444444426,1.0432098765432083,1.5394736842105239,0.9867986798679852,0.5909090909090902,0.0,0.0,0.0,1.4444444444444438,1.0432098765432092,1.539473684210527,0.9867986798679864,0.5909090909090906,0.0,0.0,0.0,1.4444444444444449,1.0432098765432103,1.5394736842105246,0.9867986798679861,0.590909090909091,0.0,0.0,0.0,1.4444444444444442,1.0432098765432096,1.539473684210525,0.9867986798679859,0.5909090909090909,0.0,0.0,0.0,2.1241704763309266,0.513788526765964,1.352289485326649,0.9509396522899607,1.016422892842301,0.0,0.0,0.0,36.23987880309767,18.119939401548834,24.916918969722765,36.23987880309767,4.026653200344185,18.119939447962253,3.552713678800501E-15,0.050633264417100005,0.005625918268566667,-2.6848318672203404,38.73823211808921,4.304248013121023,3.2911443201617283,36.23987880309767,18.119939401548834,24.916918969722765,36.23987880309767,4.026653200344185,18.119939447962253,3.552713678800501E-15,0.050633264417100005,0.005625918268566667,-2.6848318672203404,38.73823211808921,4.304248013121023,3.2911443201617283,36.23987880309767,18.119939401548834,24.916918969722765,36.23987880309767,4.026653200344185,18.119939447962253,3.552713678800501E-15,0.050633264417100005,0.005625918268566667,-2.6848318672203404,38.73823211808921,4.304248013121023,3.2911443201617283,36.23987880309767,18.119939401548834,24.916918969722765,36.23987880309767,4.026653200344185,18.119939447962253,3.552713678800501E-15,0.050633264417100005,0.005625918268566667,-2.6848318672203404,38.73823211808921,4.304248013121023,3.2911443201617283,36.23987880309767,18.119939401548834,24.916918969722765,36.23987880309767,4.026653200344185,18.119939447962253,3.552713678800501E-15,0.050633264417100005,0.005625918268566667,-2.6848318672203404,38.73823211808921,4.304248013121023,3.2911443201617283,36.23987880309767,18.119939401548834,24.916918969722765,36.23987880309767,4.026653200344185,18.119939447962253,3.552713678800501E-15,0.050633264417100005,0.005625918268566667,-2.6848318672203404,38.73823211808921,4.304248013121023,3.2911443201617283,46.94398114316074,23.30362637404951,32.424323124891544,46.682081280334955,5.186897920037218,23.303626374268234,-0.3367283950617157,0.030214199578775275,0.003357133286530586,-3.149498952338272,41.50741996998286,4.611935552220318,3.3532849851410225,0,11.89,12.11013444159095,-0.15666210670221897,0.06517877471771305,6.130554251454018,9.653311193602585,9.0,27.0,27.0,27.0,9.0,0.0,0.0,0.0,0.0,0.0,19.677725999999996,3.7548477885735805,3.042450648254734,2.848289381230534,2.3335527931030473,2.2539350415585684,2.1377893326850703,1.470640812726032,0.9112323291957806,1.8908922303529412,1.8157225923235318,1.441566971886568,1.2496297225843553,1.15347559556308,1.063246690524222,0.4870849775069836,0.36984914574579625,3.7738992871389896,3.078445808660488,2.892395212438177,2.4054545878412874,2.324231019185346,2.204914305945744,1.5542915337155734,1.039069823829532,1.838183286798949,1.754925806056414,1.3448835172468803,1.1345406859483516,1.0394573088543704,0.9485433157647053,0.3422110086543904,0.2122676499275752,3.85917183934122,3.239714181098497,3.086814461614712,2.7042369872335206,2.6181605296747077,2.489324561408616,1.9041714659519386,1.5405199671488623,1.6899996877055217,1.5781243518335046,1.0436217286557823,0.7603185604308977,0.6695747946473025,0.578041736508847,0.1419183650503065,0.3253638080956559,3.7880101644689863,3.1051618181120086,2.924971156336855,2.457539916041694,2.3752734109756086,2.253881136073521,1.615073185250198,1.129958931472623,1.8052131608312476,1.7163741647700694,1.2817973684704966,1.0582626705327107,0.9639367957389544,0.8726793370731465,0.2451659785274715,0.10591387356806595,3.9016911296926726,3.319216944616182,3.180646233462951,2.8389820851496483,2.7514308359670654,2.6200665274383526,2.062446304546552,1.7516880763811231,1.6459978554205008,1.5237429646852978,0.9448376972311489,0.631337262187561,0.5426153011420587,0.45165168530803773,0.31322682203376334,0.5200581348811758,3.7396044005189992,3.1811690505905297,3.0316337503280266,2.663154320765046,2.5185089119999367,2.310940629006852,1.6593047802379262,1.2412291076587663,1.811486047141913,1.718720376707397,1.1196883415937005,0.8530984548432587,0.805375486374178,0.7511744988843015,0.1362954070389032,0.025916254719628752,0,0,0,0,0,4,2,2,1,0.0,0.0,0.08333333333333333,0.3333333333333333,0.49999999999999994,0.0,0.0,0.08333333333333333,0.3333333333333333,0.49999999999999994,1.5432760954786942,0.20412414523193154,0.49279927982674443,0.14433756729740646,1.5432760954786942,0.20412414523193154,0.49279927982674443,0.14433756729740646,2.610990332435969,3.212925398099977,3.2192954786817123,2.610990332435969,3.212925398099977,3.2192954786817123,7.068914100752346,4.021673934958928,4.434626887048699,2.9645437230292426,2.1052146697763146,1.0202200572599405,0.16666666666666666,0.0,0.7854349000835941,0.4468526594398809,0.3167590633606214,0.1976362482019495,0.13157591686101966,0.09274727793272186,0.08333333333333333,0.0,7.068914100752346,4.021673934958928,4.434626887048699,2.9645437230292426,2.1052146697763146,1.0202200572599405,0.16666666666666666,0.0,0.7854349000835941,0.4468526594398809,0.3167590633606214,0.1976362482019495,0.13157591686101966,0.09274727793272186,0.08333333333333333,0.0,13.876450234072873,25.99053168244719,24.52941176470589,24.839999999999996,16.18699041916167,207.25429580838326,0.5139426012619582,0.9626122845350812,0.9084967320261441,0.9199999999999998,0.5995181636726544,7.676085029940121,3.0786000000000016,41.343,31.43452311668927,42.94651387801829,62.86904623337854,6.985449581486504,31.434523116689327,0.07789845127024358,0.00865538347447151,-2.297114286571099,50.50390590683397,5.61154510075933,3.5298456101821345,58,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.52488425925926,0.0,2.8622685185185186,0.0,0.0,0.0,1.9050925925925921,0.0,0.0,0.0,0.0,0.0,0.6244212962962963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3663194444444446,0.0,1.4247685185185186,0.0,0.0,0.0,0.9374999999999998,0.0,0.0,0.0,0.0,0.0,0.6244212962962963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3900462962962963,0.0,1.4375,0.0,0.0,0.0,0.9675925925925923,0.0,0.0,0.0,0.0,0.0,0.6244212962962963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.916666666666666,1.6574074074074074,0.2,2.3900462962962963,-0.0,0.6244212962962963,6.45701099537037,0.6255787037037037,0.3900462962962963,3.0497685185185186,0.6255787037037037,0.3900462962962963,3.0497685185185186,4.5,0.5,0.0,0.0,0.43333,0.7,0.43333,0.43333,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.44444,0.22222,0.11111,4.5,0.5,4.5,0.5,0.0,0.0,-4.5,-0.5,0.0,0.0,11.11891,1.23543,11.11891,0.0,0.0,4.02166,0.44685,4.02166,0.0,0.0,0.39234,0.04359,0.47834,0.05315,0.18518518518518517,9.0,0,0,0,0,0,0,1.0,0.9182958340544896,1.5304930567574826,2.6430523166577693,3.281760186948012,3.2501026694564064,3.0958509273682386,24.79398751947122,41.32331253245203,71.36241254975977,88.60752504759633,87.75277207532297,83.58797503894245,0.193126721428565,0.32187786904760834,0.5558601156084519,0.6901867153439096,0.6835288254406887,0.6510881542328035,3.8365916681089796,3.2243944454059865,2.1118351855057,1.4731273152154571,1.5047848327070628,1.6590365747952305,0.193126721428565,0.32187786904760834,0.5558601156084519,0.6901867153439096,0.6835288254406887,0.6510881542328035,6.732876570223358,14.079243242659274,18.457449045629435,18.793826843779005,15.9712310854353,18.606462838293925,35.548875021634686,24.546702798450923,20.386969459989366,19.93093982523152,24.214297638624405,20.28025741670231,7.111111111111111,2.0,1.28,0,0,0,2.45,1.2681000000000002,1.853144011581398,3.435783337678629,3.8839341736585875,2.5557724169850897,0.4999999999999999,3.3635856610148585,1.4142135623730951,0.4999999999999999,1.4142135623730951,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.15799999999999997,0.151,0.12000000000000005,0.197,3.753,14.0,15.0,16.0,11.0,2.0,0.0,0.0,0.0,0.0,76.0,2.302585092994046,2.70805020110221,2.772588722239781,2.833213344056216,2.4849066497880004,1.0986122886681098,0.0,0.0,0.0,0.0,4.343805421853684,1.0,0.25,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.4444444444444444,0,3.0,4.0,0.3333333333333333,4.0,1.7777777777777786,1.263888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4444444444444444,0.12698412698412703,0.1263888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6978174603174603,18.119939401548834,24.916918969722765,36.23987880309767,4.026653200344185,18.119939447962253,0.050633264417100005,0.005625918268566667,-2.6848318672203404,38.73823211808921,4.304248013121023,3.2911443201617283,0.0,151.8638616328001,4.169925001442312,3.8501476017100584,4.653960350157523,5.556828061699537,6.38856140554563,7.284134806195205,8.127109185346375,9.016148642611741,9.865629909979887,10.749720560454843,83.4922405237008,2.9444389791664403,0.0,4.31748811353631,2.3978952727983707,5.855071922202427,4.844187086458591,7.461065514354283,6.968850378341948,9.101529466118004,9.421735176255844,126.14085057599999,4.671883354666666,17.105672648873927,1.9006302943193252,0.0,0.0,0.0,79.0,10.0,4.975000000000001,46.0,1.3223510224813237,2.3345684323131497,3.3199598354959265,3.9980013113892663,4.830412986775934,5.9235587607780635,0.0,0.0,0.0,0.0,92.70728942571938,121.76938092294432,104.4334685510526,48.208503663926265,21.856903827670152,6.018714808711202,0.0,0.0,0.0,0.0,330.9230363152708,458.97811637379823,505.17770289375403,349.6603189819278,277.98256596110815,184.1263866416232,0.0,0.0,0.0,0.0,9.657429114636782,16.743516702096237,23.67308647230217,27.771644542320075,33.06294961794476,39.79721628617204,0.0,0.0,0.0,0.0,2.4447908446181628,3.5347196214783567,4.27488351922413,3.4557506564954936,3.169900328032796,2.6336906676732763,0.0,0.0,0.0,0.0,187.20216460466438,352.8626245804609,508.80060324050504,667.8697121909088,844.6405184425216,1095.3705776707493,0.0,0.0,0.0,0.0,2.6040101132194446,3.9384366831931534,5.778749386259572,5.766997053832838,6.358576219194746,5.9235587607780635,0.0,0.0,0.0,0.0,0.5045274501457447,0.7361104189343644,0.9040936482033178,0.7511412921580004,0.7049095506266846,0.6065724171036737,0.0,0.0,0.0,0.0,347.9576972235433,156.39186716814092,8.558124992502393,39.34226297567539,-17.682637902483478,-2.2997407582443157,308.6154342478679,174.0745050706244,10.857865750746708,0.8984191401531809,0.40380036984175344,0.02209689096817949,0.10158085984681893,-0.04565618311292341,-0.005937880182227178,134.7640022856901,60.57056392970248,3.3145614689761156,15.237256884626275,-6.848484955849048,-0.8906895041365446,0.0674980979249307,0.138809875060001,0.6166900224898793,1.3576342311430094,387.29996019921873,0.0,1.0,0.0,464.50526982335913,21.55238431875599,7.744562372711802,638.8719192955361,25.27591579538783,8.612672498563006,827.6360294727763,28.768664019602582,9.388865756981051,1.1056211674977214,1.0572856797427044,601.323159515457,509.2087513531177,253.3001954395471,1.18089714270928,2.3739545817246293,2.0102975067567446,4.609267429543521,4.528863510531506,7.728567190471378,0.7065136037991031,5.020209961842912,5.38990178282372,3.988111833446746,10.15087828508018,12.268144404178104,17.11086881625848,13.31780957604477,14.83307726715811,9.93162161031838,8.831867370876818,5.238207193495657,2.138831889483546,3.3346416868774633,0.005387436428454929,6.313961945512127E-4,1.4281136621927075E-26,6.230164195018586E-71,5.24218225616669E-137,8.507474273005898E-225,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4213114346516161,5.389573823670215,0.7831584027909883,4.07248931554498,1.5163770056125538,4.6002082893864396,0.8680663285816169,0.7214946677310169,0.7789891890035435,0.2955583374647492,0.921131220325843,0.0168876742059562,0.05704350202129896,3.794415527091776E-5,4.4469750245141236E-6,1.005832129294415E-28,4.3879555836668255E-73,3.692111825870933E-139,5.991883692084095E-227,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.360044669088825,5.389596447263487,1.1707254119063668,4.92423193611725,2.924875693164641,6.337333104301247,2.316452370184287,2.5485360970878075,1.8563236520600734,1.24774264005364,1.3646916799890974,0.16166361178774477,0.33095915009901794,3.954073530201874E-4,4.6340908391203025E-5,1.048154628789576E-27,4.572588031334611E-72,3.8474651858755646E-138,6.244004783812577E-226,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.738668689401933,5.389866026500373,3.6975812009562086,9.641153251844369,11.331809328667068,16.05610053488132,12.169023313238133,13.596506441478395,9.091505212925691,8.029713419281105,4.819093961372841,1.9069164361464725,2.9942119312770146,0.004800108864812859,5.625626419769309E-4,1.2724235619087431E-26,5.5509641327359236E-71,4.670690012393673E-137,7.580006412573928E-225,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.004455605444824,5.389625137135424,1.515946666704548,5.624424584680325,4.12519492194569,7.772270689475952,3.6352202931288287,4.11552895200701,2.8307184111790806,2.136031378332582,1.7991284194005892,0.34666724769306356,0.6363105922095122,8.58877607710911E-4,1.0065864540500521E-4,2.2767319150992978E-27,9.9322722235772E-72,8.357208507519656E-138,1.3562812755743436E-225,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.062630570601105,5.39005197460726,5.1709157220038575,12.194406946186312,16.050755635470246,21.34419642912161,18.010228167171437,19.834681075746595,13.359885012447144,12.119309993384153,6.965786932744876,3.1133368796087693,4.753806745778881,0.007857069711152137,9.208320101454775E-4,2.082769559939858E-26,9.086108957804339E-71,7.645230152085427E-137,1.2407351681365797E-224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.316619471063296,4.7297373992883704,1.8061997464218458,6.446309363209315,6.414387872305213,10.905124348337965,6.530641830499243,7.367789041831588,5.155644389203567,4.145924115211413,3.22401075874538,0.7872420407721712,1.3728185839819849,0.0019612077807029554,2.298494183466604E-4,5.1988133191272876E-27,2.267988988193152E-71,1.9083303840681713E-137,3.097006333146306E-225,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.291146475628761,2.0048001629845555,1.2164798507410735,0.5712064512990047,0.2668645298327367,0.4725277953386786,0.41946871366249056,0.4586673189144058,7.5124264893543895,16.261783380945232,34.23945361693218,0.356809676948507,1.3506638279155752,3.397790144604023,1.3699351740798984,0.6414291750474012,0.6281554998182668,0.253262349165201,0.2971327666685534,0.19277632339988743,0.1298962628034342,5.4091544937313225,7.712910351251112,16.10775872999646,0.44223324972740025,0.619805352871875,3.7521109939541017,1.6222482408626315,0.8701466258187516,0.6008659576423651,0.2597880884521326,0.36178838331658175,0.2721504494506125,0.23730038278494597,6.244505860635485,10.76333601357701,22.304298614111005,0.40129893646354753,0.8712392155521402,4.268982955483809,1.9890985139589612,1.2022739313374655,0.5722224647685471,0.2666224874154029,0.46767896576706625,0.41277792982358485,0.44821993705196994,7.4603554007802355,16.01535586376608,33.68473337142876,0.3583336971528207,1.328676832642621,3.9102646809893677,1.7346416718284754,0.9719499946200667,0.5909550511102524,0.2621549540666906,0.3927276552367077,0.31204559343100124,0.2951056837482585,6.61685634743791,12.269474762775321,25.47897856606305,0.3864325766653785,0.9998789324159675,4.3605480988663015,2.053953137264671,1.260945929185767,0.5681164894952875,0.2676004528499561,0.4878755113502638,0.4407717491333389,0.4921161579612238,7.675447165316739,17.044700669316356,36.013635342628426,0.35217473424293116,1.4207634184448266,4.285304122695022,1.9944390035059676,1.206117931576436,0.5724530671381899,0.2664274674766836,0.47121195534084453,0.4151502563000815,0.45103739828102074,7.485861057777426,16.120888474392757,33.915171354266505,0.3586796007072849,1.3373996099219467 +UMLCN0425,L,"1,1,2-Trimethylcyclohexane",CC1CCCCC1(C)C,Naphthenes,,C9H18,Kubic (2016),Unknown,PubChem,,29,0,0.7896000000000007,0.6234681600000012,37.3004,27.84227399999997,0,0,27,9,18,0,9,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1316.666240999998,1516.3046729999994,2227.640868999998,2209.5328189999996,1095.9767309999952,242.57016000000004,18.289152,0.0,0.0,4371.159515500713,5876.911210413301,9122.433658717904,10923.94039309439,8520.886639536291,3586.073911413604,559.5073997567447,0.0,0.0,188.79699600000006,195.9820200000001,384.660436,553.0411640000005,687.9516600000012,509.8723199999996,120.93235199999997,0.0,0.0,33.10313228728198,45.143897580000015,73.21490844303696,93.91353488243284,85.16504052820483,43.37993894094001,8.003032287282004,0.0,0.0,4469.666941246483,3897.355063642201,8339.68744144644,12194.465387047232,16510.927342719107,13391.897337148443,3328.517736436482,0.0,0.0,42.34027777777778,51.291666666666664,85.5,127.70833333333331,141.66666666666666,85.5,18.0,0.0,0.0,48.76541633333326,56.159432333333314,41.25260868518515,28.327343833333327,11.070472030302982,3.2342688000000006,1.016064,0.0,0.0,161.89479687039676,217.6633781634556,168.93395664292416,140.0505178601845,86.06956201551809,47.81431881884805,31.08374443093026,0.0,0.0,6.992481333333336,7.258593333333336,7.123341407407407,7.09027133333334,6.949006666666679,6.798297599999994,6.718463999999998,0.0,0.0,1.2260419365659994,1.6719962066666672,1.3558316378340178,1.2040196779799082,0.8602529346283316,0.5783991858792001,0.4446129048490002,0.0,0.0,165.54322004616603,144.34648383860005,154.43865632308223,156.33929983393887,166.77704386584958,178.55863116197924,184.917652024249,0.0,0.0,1.5681584362139918,1.8996913580246912,1.5833333333333333,1.6372863247863245,1.4309764309764308,1.14,1.0,0.0,0.0,0.03536398575579959,-0.005859675389564526,0.007168134558087617,-0.01698626975264638,-0.029350485402043616,0.016156117491763544,0.011190185616503586,0.0,0.0,726.3960540000007,7.460698725481052E-13,121.06600900000052,-524.6193723333314,-605.330044999999,403.5533633333317,242.13201799999948,0.0,0.0,1350.7644806353373,-5.258016244624741E-13,225.12741343922164,-975.5521249032977,-1125.637067196108,750.4247114640762,450.2548268784456,0.0,0.0,0.14229599999999987,2.0348306373207947E-15,0.02371600000000206,-0.10276933333333091,-0.1185800000000008,0.07905333333332928,0.04743199999999858,0.0,0.0,6.038545709094,1.637578961322106E-14,1.006424284849018,-4.3611719010123124,-5.032121424245028,3.3547476161633,2.0128485696979883,0.0,0.0,32.80147613069398,-1.9984014443252818E-13,5.466912688448802,-23.689954983279158,-27.334563442244786,18.22304229483037,10.93382537689812,0.0,0.0,3.019032921810701,-1.5054012345678993,1.2258230452674908,-0.25611568358481507,-2.779406721536347,1.0358653406492877,0.7697187928669393,0.0,0.0,0.0013097772502147997,-2.170250144283158E-4,1.327432325571781E-4,-2.1777268913649207E-4,-2.964695495155921E-4,2.1541489989018058E-4,6.216769786946437E-4,0.0,0.0,26.903557555555583,2.7632217501781674E-14,2.241963129629639,-6.725889388888864,-6.114444898989889,5.380711511111089,13.451778777777749,0.0,0.0,50.02831409760509,-1.9474134239350895E-14,4.1690261748004005,-12.507078524401253,-11.370071385819273,10.005662819521016,25.014157048802534,0.0,0.0,0.005270222222222217,7.536409767854795E-17,4.391851851852233E-4,-0.0013175555555555245,-0.0011977777777777859,0.0010540444444443904,0.002635111111111032,0.0,0.0,0.22364984107755553,6.065107264155948E-16,0.018637486756463293,-0.05591246026938862,-0.05082950933580836,0.04472996821551067,0.11182492053877713,0.0,0.0,1.214869486321999,-7.401486830834377E-15,0.101239123860163,-0.30371737158050205,-0.27610670143681604,0.24297389726440494,0.6074347431610067,0.0,0.0,0.11181603414113707,-0.05575560128029257,0.022700426764212793,-0.0032835344049335267,-0.02807481536905401,0.013811537875323836,0.04276215515927441,0.0,0.0,-0.16569612458356894,0.10134794487796196,-0.16626696570029598,-0.22635112151090725,0.16446682048787545,0.4746432865532597,0.0,0.0,1.0270841484335823E-15,0.0833333333333336,-0.2499999999999988,-0.22727272727272668,0.19999999999999898,0.4999999999999984,0.0,0.0,-3.8926225259873677E-16,0.08333333333333286,-0.2499999999999996,-0.22727272727272596,0.19999999999999996,0.4999999999999998,0.0,0.0,1.429998480154605E-14,0.08333333333334066,-0.24999999999999437,-0.22727272727272904,0.19999999999998996,0.4999999999999855,0.0,0.0,2.711876402385968E-15,0.08333333333333481,-0.24999999999999883,-0.22727272727272854,0.19999999999999804,0.49999999999999717,0.0,0.0,-6.0924131473927115E-15,0.08333333333333037,-0.2500000000000019,-0.22727272727272568,0.2000000000000042,0.5000000000000059,0.0,0.0,-0.4986369057761109,0.2030158459703528,-0.029365505852129985,-0.2510804070695018,0.12352019083319087,0.3824331231896395,0.0,0.0,1.6126527627395622,0.9604086747851954,1.299633231480077,1.1936711607080353,0.47982846457495865,0.0035741754981918543,0.0,0.0,1.4444444444444438,1.1234567901234565,1.3888888888888886,1.1161616161616161,0.43333333333333307,0.0,0.0,0.0,1.4444444444444426,1.1234567901234551,1.3888888888888866,1.1161616161616144,0.4333333333333328,0.0,0.0,0.0,1.4444444444444438,1.1234567901234562,1.388888888888889,1.1161616161616164,0.4333333333333331,0.0,0.0,0.0,1.4444444444444449,1.1234567901234571,1.3888888888888875,1.116161616161615,0.4333333333333335,0.0,0.0,0.0,1.4444444444444442,1.1234567901234565,1.3888888888888877,1.1161616161616152,0.4333333333333333,0.0,0.0,0.0,2.0378258647128975,0.6179928437553244,1.208383029476912,1.3417029383974344,0.4736616118589195,0.0,0.0,0.0,36.34301894595545,18.171509472977725,24.93295960986042,36.34301894595545,4.038113216217273,18.171509525160538,0.0,0.04435194620541133,0.004927994022823481,-2.8040388194848624,86.45378717890817,9.60597635321202,4.013649017016555,36.34301894595545,18.171509472977725,24.93295960986042,36.34301894595545,4.038113216217273,18.171509525160538,0.0,0.04435194620541133,0.004927994022823481,-2.8040388194848624,86.45378717890817,9.60597635321202,4.013649017016555,36.34301894595545,18.171509472977725,24.93295960986042,36.34301894595545,4.038113216217273,18.171509525160538,0.0,0.04435194620541133,0.004927994022823481,-2.8040388194848624,86.45378717890817,9.60597635321202,4.013649017016555,36.34301894595545,18.171509472977725,24.93295960986042,36.34301894595545,4.038113216217273,18.171509525160538,0.0,0.04435194620541133,0.004927994022823481,-2.8040388194848624,86.45378717890817,9.60597635321202,4.013649017016555,36.34301894595545,18.171509472977725,24.93295960986042,36.34301894595545,4.038113216217273,18.171509525160538,0.0,0.04435194620541133,0.004927994022823481,-2.8040388194848624,86.45378717890817,9.60597635321202,4.013649017016555,36.34301894595545,18.171509472977725,24.93295960986042,36.34301894595545,4.038113216217273,18.171509525160538,0.0,0.04435194620541133,0.004927994022823481,-2.8040388194848624,86.45378717890817,9.60597635321202,4.013649017016555,45.8819015932238,22.587966929264073,31.720759230127026,45.73572532436235,5.081747258262482,22.587966929881997,-0.26311728395061706,0.04521820937696852,0.005024245486329836,-2.786629869853989,75.42193035691459,8.380214484101622,3.890788277637781,0,11.889999999999999,12.110134441590947,-0.15677633758540166,0.06503375430766009,6.469114311975551,9.701651016117733,9.0,27.0,27.0,27.0,9.0,0.0,0.0,0.0,0.0,0.0,19.677725999999996,3.7114472980037068,3.0528694493221598,2.930023383014665,2.405760483714178,2.3335527931030478,1.9135343573490635,1.2828535051108128,1.1705814356762132,2.030296478804912,1.5893819542580363,1.5195809906737883,1.2496297225843556,1.2108161208417845,0.8899713221829398,0.5720235721166539,0.45753715004687723,3.7320198248336887,3.088666115443625,2.969855092097146,2.4660386039905333,2.4054545878412887,1.9894848783136851,1.3903988931369302,1.2802305981048765,1.981699801668532,1.5114354768011566,1.4352115511293553,1.1345406859483504,1.1058208289604832,0.7670399001677918,0.4209400158795662,0.30781594230023585,3.823976393195476,3.2477647558564544,3.146315575242224,2.722299134894573,2.7042369872335223,2.3072903570041676,1.8281459495657086,1.719826163878174,1.8426406922755598,1.2797012116063604,1.1815736705104443,0.771381883067696,0.7603185604308982,0.36716177072909145,0.09195524467936998,0.2006823302146933,3.747253452589361,3.1151549339255813,2.9993087418844437,2.510048870755238,2.4575399160416938,2.044670713448245,1.4679375176206124,1.3587936457489196,1.9511034247399481,1.4615099014305726,1.3809162777083834,1.0582626705327118,1.0367497625687354,0.6855344562824747,0.31916929326913274,0.20700183921216977,3.869694708269966,3.32569072848253,3.2322273896164386,2.8407130082740055,2.8389820851496492,2.4511906920869997,2.018767507628571,1.9092756853705253,1.8004375378434032,1.2072770472591465,1.1015274453010593,0.6589445679523175,0.6313372621875574,0.2295319211479484,0.27688011290456116,0.3849181957468913,3.7250443414110337,3.1731074496878136,3.074546379394804,2.6850369754249033,2.6076204282444007,2.136712932041816,1.577486596536535,1.4600570685368939,1.9618263162816567,1.3835910002322798,1.2917598422827925,0.8996344377605165,0.8336084039963351,0.5580995598103158,0.17037021521830192,0.06967056579645288,0,0,0,0,0,3,4,1,1,0.0,0.0,0.0,0.07216878364870323,0.2165063509461097,0.0,0.0,0.0,0.07216878364870323,0.2165063509461097,1.2546009608838813,0.20412414523193154,0.49279927982674443,0.14433756729740646,1.2546009608838813,0.20412414523193154,0.49279927982674443,0.14433756729740646,2.4253212645389097,2.309822465154106,2.258045769857469,2.4253212645389097,2.309822465154106,2.258045769857469,6.905777393935816,4.1278270848415755,4.1354106816800735,3.0423113819010212,1.6682760954786944,1.1335364870375233,0.43301270189221935,0.14433756729740646,0.7673085993262018,0.45864745387128614,0.31810851397539025,0.21730795585007295,0.13902300795655786,0.0944613739197936,0.07216878364870323,0.07216878364870323,6.905777393935816,4.1278270848415755,4.1354106816800735,3.0423113819010212,1.6682760954786944,1.1335364870375233,0.43301270189221935,0.14433756729740646,0.7673085993262018,0.45864745387128614,0.31810851397539025,0.21730795585007295,0.13902300795655786,0.0944613739197936,0.07216878364870323,0.07216878364870323,13.876450234072873,25.99053168244719,24.52941176470589,24.839999999999996,16.18699041916167,207.25429580838326,0.5139426012619582,0.9626122845350812,0.9084967320261441,0.9199999999999998,0.5995181636726544,7.676085029940121,3.2227000000000023,41.413000000000004,35.798061657434545,49.90847145807446,71.59612331486909,7.955124812763232,35.798061657434545,0.09310553161724394,0.01034505906858266,-2.1366195125371976,75.49348074929213,8.388164527699125,3.8916416743517765,61,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,4.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.187314814814815,0.0,5.808634259259259,0.0,0.0,0.0,0.9502314814814814,0.0,0.0,0.0,0.0,0.0,0.6371527777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3880555555555554,0.0,1.4386574074074074,0.0,0.0,0.0,0.9502314814814814,0.0,0.0,0.0,0.0,0.0,0.6371527777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.39962962962963,0.0,1.4628935185185186,0.0,0.0,0.0,0.9502314814814814,0.0,0.0,0.0,0.0,0.0,0.6371527777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.583333333333332,1.6203703703703702,0.2,2.39962962962963,-0.0,0.6371527777777778,6.464632523148149,0.6128472222222222,0.39962962962962967,2.37462962962963,0.6128472222222222,0.39962962962962967,2.37462962962963,4.5,0.5,0.0,0.0,0.43333,0.7,0.43333,0.43333,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.33333,0.11111,0.11111,4.5,0.5,4.5,0.5,0.0,0.0,-4.5,-0.5,0.0,0.0,10.80944,1.20105,10.80944,0.0,0.0,4.12782,0.45865,4.12782,0.0,0.0,0.28618,0.0318,0.37218,0.04135,0.2222222222222222,9.0,0,0,0,0,0,0,1.0,0.9182958340544896,1.5025342603810579,2.6612087979789942,3.4117518537749354,3.2039873917587567,2.857877096649631,24.79398751947122,40.568425030288566,71.85263754543284,92.11730005192325,86.50765957748644,77.16268160954004,0.193126721428565,0.3159978568782976,0.5596786037036937,0.7175252521163943,0.6738303251761363,0.6010398974422213,3.8365916681089796,3.2523532417824113,2.093678704184475,1.3431356483885337,1.5509001104047124,1.897010405513838,0.193126721428565,0.3159978568782976,0.5596786037036937,0.7175252521163943,0.6738303251761363,0.6010398974422213,6.732876570223358,13.743737686142177,18.475747601998002,19.23216368122293,17.086975108349037,15.575936334970093,35.548875021634686,25.267838909081263,21.049291680288505,18.8296310291756,22.11940825813496,25.444147554932417,7.111111111111111,2.3195266272189348,1.469387755102041,0,0,0,2.45,1.268100000000001,1.1447142425533319,4.119534287814235,1.8898815748423097,2.381101577952299,3.965406456500188,2.1491398636470835,2.1491398636470835,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.14,0.131,0.15900000000000003,0.212,3.981,13.0,14.0,12.0,12.0,6.0,2.0,0.0,0.0,0.0,77.0,2.302585092994046,2.6390573296152584,2.70805020110221,2.5649493574615367,2.5649493574615367,1.9459101490553132,1.0986122886681098,0.0,0.0,0.0,4.356708826689592,1.0,0.25,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.3333333333333333,1,3.0,4.0,0.3333333333333333,3.0,1.7777777777777786,0.5625,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.3333333333333333,0.13675213675213682,0.05113636363636364,0.11111111111111112,0.0,0.0,0.0,0.0,0.0,0.0,0.6323329448329449,18.171509472977725,24.93295960986042,36.34301894595545,4.038113216217273,18.171509525160538,0.04435194620541133,0.004927994022823481,-2.8040388194848624,86.45378717890817,9.60597635321202,4.013649017016555,0.0,151.8638616328001,4.169925001442312,3.8066624897703196,4.59511985013459,5.4510384535657,6.267200548541362,7.1204443723924875,7.9441374911141125,8.795884972029885,9.62185381861855,10.472968802094007,82.07531079826101,2.9444389791664403,0.0,4.2626798770413155,0.0,5.802118375377063,0.0,7.430707082545968,0.0,9.091444217032327,9.30492301446213,126.14085057599999,4.671883354666666,17.311560986746642,1.9235067763051825,0.0,0.0,0.0,80.0,11.0,5.036000000000001,44.0,1.2269995202934896,2.1010805910832926,2.8485627935608684,3.456054056147742,4.127444598151178,4.857500713151646,0.0,0.0,0.0,0.0,78.9514887765619,96.0620079648929,86.96855662285826,41.2686756924179,13.876280407107695,4.935531604607714,0.0,0.0,0.0,0.0,290.5400635315347,380.70868391033264,416.9893379056068,311.3717338271647,201.3259075546727,150.98931074066724,0.0,0.0,0.0,0.0,8.938429586765382,15.020891137929157,20.23846979820172,24.069112812685205,28.078564077129492,32.634943671283665,0.0,0.0,0.0,0.0,2.1788650401665124,3.002778930617345,3.540238999413921,3.074186309672846,2.4190963857583174,2.159707502380442,0.0,0.0,0.0,0.0,175.1121322825437,320.6542067506247,442.35890566227755,572.2651082392318,735.4800412654401,898.2376265821174,0.0,0.0,0.0,0.0,2.37299921595954,3.4275794323443427,4.7424508988243765,5.04325303994436,4.742716646578924,4.857500713151646,0.0,0.0,0.0,0.0,0.45089223016508806,0.628028401085504,0.7495730723287191,0.6675827854983649,0.5427759777695691,0.4974080730267285,0.0,0.0,0.0,0.0,325.6144284718248,148.160793599061,8.239328774554476,84.69121838009099,-38.53612441240892,-4.52200175413706,240.9232100917338,186.69691801146993,12.761330528691536,0.7935899273385895,0.36109859743786077,0.02008095388832937,0.2064100726614105,-0.09392053145765518,-0.011021056592401966,133.60143869844893,60.791210255755914,3.3806431224691775,34.749285140120094,-15.811589454199344,-1.8554028547967043,0.06665420457895625,0.1361001824953608,0.7313656553905552,0.9758781222506288,410.3056468519158,0.0,1.0,0.0,620.8036052110712,24.91593075145039,8.530701455586831,795.1702546832485,28.19876335379352,9.264458536326794,1150.966986228637,33.92590435388034,10.47983123474368,1.1751252784590187,1.0793327755434998,386.9045022167158,275.5409418182663,237.6452242540323,1.4041633873484385,1.628076067723254,1.1594634088826674,3.825121105332628,3.779648656455895,5.906189605310813,0.5626292658770394,5.087954441855062,7.385866865738538,8.62549138852263,11.908392813031503,21.69587873801009,15.57186315289865,12.413444923929408,9.320217524940043,11.66888357728843,0.09584653302672023,0.8201534039600958,9.060889714270816E-16,1.937814449013576E-52,8.022251181977004E-111,6.428249441007736E-191,9.969221435003194E-293,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.42240415211995574,6.5257843635918285,0.6490573248449267,6.148106067148929,1.0820299609718087,4.320590814841044,1.705473627953839,0.32534444182544603,0.2377339226960994,6.750550549069446E-4,0.00577640748416795,6.381658712384116E-18,1.3648185610353736E-54,5.650137101632001E-113,4.527468642066647E-193,7.021404170296152E-295,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3655911834705579,6.583478643934773,2.095784350016962,6.720457970417649,3.957179810552734,6.298010657735019,2.8681868128924184,1.3512743101811109,1.2560655542763706,0.007034593468014904,0.06019461961861,6.650180406777227E-17,1.422246168663026E-53,5.887878487760875E-112,4.717971394700568E-192,7.316844498555638E-294,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.799095387593264,7.291515828371244,8.07299474807975,11.342273183784808,19.962492385167735,14.770144270148272,11.396002821641213,8.482965814934094,10.503869909707543,0.08539753540881435,0.7307419172618108,8.073089607302574E-16,1.726557786546378E-52,7.147681374201707E-111,5.727454520676118E-191,8.882396817286418E-293,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0157767069806702,6.658081079592244,3.1427883765935576,7.292535047551562,6.3265494928701616,7.750225874209713,3.97010641561703,2.2960830612928524,2.345571900798092,0.015280076810198157,0.1307507574156454,1.44450804847014E-16,3.089308728295351E-53,1.2789258852763168E-111,1.0248064315896627E-191,1.5893163976118494E-293,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.161145337347524,7.782550558708332,10.744015084960157,14.246868361503179,28.64909168092128,18.66848409899697,16.591494169043784,12.745587477317484,16.510612281150575,0.1397831603314249,1.196116660368903,1.3214456091597064E-15,2.8261202550364576E-52,1.1699699405129443E-110,9.374997672716535E-191,1.4539172539841437E-292,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.35436063106495,6.038125472727746,4.8713916727266335,8.960467045207706,10.560090129533027,11.116134911742218,6.771506192878231,4.548684464901798,5.158207164781839,0.036504619567452,0.31236797726663046,3.450978534767505E-16,7.380462933320606E-53,3.055397152214851E-111,2.4482971911808736E-191,3.7969305736449725E-293,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3028545248056433,2.036148419092196,1.0356144826647031,0.42846854799830575,0.3788452753919009,0.5016449375195445,0.5191725070359,0.43970091190473093,5.374617426562542,9.182487889107705,19.413053572458296,0.21097073508530997,1.4605183564601756,1.6920895331278356,1.3839396359595193,0.5009548275749494,0.4730492321762496,0.3869012657733102,0.2715163380877094,0.24356340229767812,0.10389040697841577,3.576983996662304,3.8827014345035202,8.632796284666153,0.2899257469243397,0.6189701473638033,1.934620995733638,1.642716543442587,0.7136081067567173,0.4508612215974622,0.3828332211571106,0.3546018986190167,0.34095862427297924,0.21000303182308244,4.2909456459329425,5.730850983544298,12.28966739475691,0.2505416641318593,0.9055635547150783,2.287729084380519,2.0199775696469113,1.0224064337016179,0.42920835763265774,0.3789746176863096,0.49511150385156577,0.5111406886476355,0.42865877701760957,5.330113087729049,9.02538843345443,19.080206704398456,0.21227446297845104,1.434910969516811,2.0427458345844793,1.7581810161410598,0.8082608885308376,0.4431899827352325,0.3814513783343344,0.3951731868572498,0.3895193164012395,0.26894182486144763,4.609187739256377,6.6636574607757995,14.175727878923468,0.23696204160435053,1.053634328119937,2.3502098525653246,2.086781667150413,1.0769571096035995,0.4262299144516048,0.3784550432795768,0.5223722884205722,0.5447087749888844,0.47515472703944434,5.513948629319337,9.682824396698336,20.47857437196683,0.20702743659677245,1.5422357904489008,2.2918774184175206,2.025785028641937,1.0266887035371788,0.42884109854227265,0.37905163256643065,0.496831512288282,0.5136862187382317,0.4320260506027317,5.344351150596637,9.075746221795383,19.18686000698922,0.211839096663055,1.4425437816292455 +UMLCN0426,L,"2,3,3-Trimethylpentane",CCC(C)(C)C(C)C,Alkanes,,C8H18,Kubic (2016),Unknown,PubChem,,17,0,1.7940000000000005,3.218436000000002,38.243,26.082273999999977,0,0,26,8,18,0,8,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1172.4021199999981,1227.7764309999995,1725.2541699999977,1819.0675529999976,932.4930739999999,215.39347200000003,18.289152,0.0,0.0,3947.6426137513863,5029.877406914642,7256.714488539586,9003.594936476917,7765.046910399925,3521.617762180419,559.5073997567447,0.0,0.0,181.25648000000004,180.9009880000001,339.4884879999999,447.4267560000002,626.2642640000008,548.9855999999997,120.93235199999997,0.0,0.0,30.314232287281975,39.56609758000002,59.500781297584055,77.20431587818796,78.15030588426193,44.040822154581015,8.003032287282004,0.0,0.0,4342.872585156482,3643.766351462201,7595.322042971786,9791.308033042791,14936.586874746466,14596.788562227983,3328.517736436482,0.0,0.0,43.59027777777778,51.208333333333336,76.58333333333334,113.08333333333329,141.0,93.0,18.0,0.0,0.0,45.09238923076916,49.11105723999998,35.94279520833329,28.874088142857104,10.361034155555554,2.659178666666667,1.016064,0.0,0.0,151.83240822120717,201.19509627658567,151.1815518445747,142.91420534090344,86.27829900444361,43.476762496054555,31.08374443093026,0.0,0.0,6.971403076923078,7.236039520000004,7.072676833333332,7.102012000000003,6.958491822222231,6.777599999999997,6.718463999999998,0.0,0.0,1.1659320110493068,1.5826439032000008,1.2395996103663345,1.2254653313998087,0.8683367320473547,0.5437138537602595,0.4446129048490002,0.0,0.0,167.033560967557,145.75065405848804,158.23587589524553,155.41758782607604,165.96207638607186,180.20726620034546,184.917652024249,0.0,0.0,1.6765491452991452,2.0483333333333333,1.5954861111111114,1.7949735449735442,1.5666666666666667,1.1481481481481481,1.0,0.0,0.0,0.03486638409299596,-0.010133835289180522,0.011691590815335686,-0.01121005603860125,-0.03874039846303575,0.021336380790228086,0.009623126138755758,0.0,0.0,670.519434461538,-58.025720289940125,196.28453530177563,-423.37284804141916,-737.8579246745567,481.398568331359,206.31367214201137,0.0,0.0,1246.859520586465,-107.9013046661365,364.9994750434732,-787.279889601069,-1372.0783185940727,895.1811942672049,383.64908325737366,0.0,0.0,0.13135015384615364,-0.011366840236684106,0.038450792899409954,-0.08293583431952373,-0.1445413017751479,0.09430267455620765,0.04041543195266116,0.0,0.0,5.57404219300985,-0.4823690359335298,1.6317174795776792,-3.5195074103299158,-6.133828481624091,4.001876446263442,1.715089905541481,0.0,0.0,30.27828565910215,-2.6202362589608956,8.86351524636099,-19.118020111676806,-33.319053663328276,21.73825637063775,9.31639558741613,0.0,0.0,4.000267094017097,-2.449776051939514,1.5956607495069033,0.7798015285996063,-4.537783530571997,1.6265717455621314,0.9853920118343199,0.0,0.0,0.001341014772807537,-4.053534115672209E-4,2.4357480865282678E-4,-1.7793739743811508E-4,-4.3044887181150834E-4,2.634121085213344E-4,5.346181188197643E-4,0.0,0.0,25.789209017751464,-2.321028811597605,4.089261152120326,-6.720203937165383,-8.198421385272852,5.9431922016217165,11.461870674556188,0.0,0.0,47.95613540717173,-4.31605218664546,7.604155730072358,-12.496506184143954,-15.245314651045252,11.051619682311172,21.31383795874298,0.0,0.0,0.005051928994082832,-4.546736094673642E-4,8.01058185404374E-4,-0.0013164418145956147,-0.00160601446416831,0.0011642305500766377,0.002245301775147842,0.0,0.0,0.21438623819268654,-0.01929476143734119,0.033994114157868315,-0.05586519698936374,-0.06815364979582324,0.04940588205263509,0.09528277253008227,0.0,0.0,1.1645494484270058,-0.10480945035843582,0.1846565676325206,-0.30346063669328266,-0.37021170737031417,0.2683735354399722,0.5175775326342295,0.0,0.0,0.1538564266929653,-0.09799104207758055,0.03324293228139382,0.012377802041263592,-0.050419817006355526,0.02008113266126088,0.05474400065746222,0.0,0.0,-0.30227363619460845,0.18163469455513953,-0.1326886183853045,-0.32098741978086065,0.19642744723076921,0.39866683772654676,0.0,0.0,-0.08999999999999897,0.1585648148148153,-0.26058201058201014,-0.3179012345679016,0.23045267489711857,0.44444444444444375,0.0,0.0,-0.0900000000000001,0.15856481481481458,-0.2605820105820105,-0.31790123456789954,0.23045267489711915,0.4444444444444442,0.0,0.0,-0.08999999999998205,0.15856481481482196,-0.26058201058200187,-0.31790123456790165,0.2304526748971066,0.44444444444442793,0.0,0.0,-0.08999999999999722,0.1585648148148157,-0.26058201058200897,-0.3179012345679015,0.23045267489711704,0.4444444444444415,0.0,0.0,-0.09000000000000455,0.15856481481481285,-0.26058201058201236,-0.31790123456790176,0.23045267489712262,0.4444444444444484,0.0,0.0,-0.6368992455097812,0.2160646324364023,0.08045034131700354,-0.3277069284013266,0.130518647110755,0.35581224544301243,0.0,0.0,1.8396135147910582,0.8134518660444391,1.3353923170717112,1.371650036252007,0.3998189059632139,2.344104843684694E-5,0.0,0.0,1.625000000000002,1.0344328703703716,1.504629629629632,1.25385802469136,0.3343621399176958,0.0,0.0,0.0,1.6249999999999982,1.0344328703703691,1.5046296296296275,1.2538580246913562,0.3343621399176952,0.0,0.0,0.0,1.6250000000000002,1.0344328703703702,1.5046296296296293,1.2538580246913587,0.33436213991769553,0.0,0.0,0.0,1.6249999999999991,1.0344328703703698,1.5046296296296275,1.253858024691356,0.3343621399176953,0.0,0.0,0.0,1.6249999999999991,1.03443287037037,1.5046296296296275,1.2538580246913562,0.33436213991769514,0.0,0.0,0.0,2.242905788876275,0.5913233624891495,1.098430291526371,1.4871692150185827,0.46293205136765225,0.0,0.0,0.0,32.13655910292103,16.06827955146051,22.345290849721952,32.13655910292102,4.017069887865127,16.068279844495983,-3.552713678800501E-15,0.019225420323892628,0.0024031775404865785,-3.1612175203423947,41.53164166779724,5.191455208474655,2.981164469236707,32.13655910292103,16.06827955146051,22.345290849721952,32.13655910292102,4.017069887865127,16.068279844495983,-3.552713678800501E-15,0.019225420323892628,0.0024031775404865785,-3.1612175203423947,41.53164166779724,5.191455208474655,2.981164469236707,32.13655910292103,16.06827955146051,22.345290849721952,32.13655910292102,4.017069887865127,16.068279844495983,-3.552713678800501E-15,0.019225420323892628,0.0024031775404865785,-3.1612175203423947,41.53164166779724,5.191455208474655,2.981164469236707,32.13655910292103,16.06827955146051,22.345290849721952,32.13655910292102,4.017069887865127,16.068279844495983,-3.552713678800501E-15,0.019225420323892628,0.0024031775404865785,-3.1612175203423947,41.53164166779724,5.191455208474655,2.981164469236707,32.13655910292103,16.06827955146051,22.345290849721952,32.13655910292102,4.017069887865127,16.068279844495983,-3.552713678800501E-15,0.019225420323892628,0.0024031775404865785,-3.1612175203423947,41.53164166779724,5.191455208474655,2.981164469236707,32.13655910292103,16.06827955146051,22.345290849721952,32.13655910292102,4.017069887865127,16.068279844495983,-3.552713678800501E-15,0.019225420323892628,0.0024031775404865785,-3.1612175203423947,41.53164166779724,5.191455208474655,2.981164469236707,45.86205434081097,22.77937786484994,33.01612541141681,45.63458038247765,5.704322547809706,22.77937786513933,-0.3032986111110887,0.00513957039778401,6.424462997230013E-4,-4.216628626564597,32.59097339965532,4.073871674956915,2.7872282883604313,0,11.889999999999999,12.110114161591722,-0.1623542957214748,0.058720948971353076,5.755742674849453,9.528253252328614,7.0,25.0,25.0,25.0,7.0,0.0,0.0,0.0,0.0,0.0,19.677725999999996,3.6220492776386113,3.0178448055212197,2.7161585677328803,2.333552793103047,2.3335527931030464,1.741838947761299,1.3058789853861008,0.39156821453536395,1.9645914168086067,1.618912912082378,1.4503142593210059,1.2496297225843558,1.2496297225843553,0.8355079917049395,0.5063968660650872,0.08392307051869036,3.6437523038056483,3.0600247860732686,2.7701061293876745,2.4054545878412896,2.4054545878412896,1.8302929538427315,1.4054147362995837,0.510463099357187,1.9118191638507802,1.5352847814173778,1.352549382431688,1.1345406859483513,1.134540685948351,0.7025121602616502,0.3633190113399016,0.2709139018929367,3.7416239540003797,3.243681990054916,3.0008438167464995,2.7042369872335192,2.704236987233519,2.1938819381241537,1.8096663823748689,0.9616326766978087,1.7616366309820837,1.2798088027396712,1.0453874528082336,0.760318560430898,0.7603185604308974,0.2612225314880409,0.11631679403250865,0.9439184268026205,3.659872133418573,3.091035018702572,2.8095527632392177,2.4575399160416938,2.4575399160416924,1.8941864756499078,1.4770335457536092,0.594204587696465,1.8786491124303026,1.481159243736131,1.2885773166532863,1.0582626705327112,1.0582626705327112,0.6136853545301766,0.2674272695655361,0.3992772455089812,3.7907181886506573,3.331417546522722,3.1085320561905982,2.838982085149649,2.8389820851496474,2.355147861379214,1.9865157807959188,1.2076448229620895,1.7164495178641874,1.197532556455506,0.9435325019571874,0.6313372621875613,0.6313372621875613,0.10588789005496474,0.28743943467236927,1.1418557129308045,3.6083959785964166,3.1479434318189967,2.9177157398733993,2.6072545986923403,2.6072545986923368,1.9650424807459301,1.5129064258570313,0.6130756679765643,1.9171970794292075,1.4084421968519107,1.1668828538938636,0.9031125868580201,0.9031125868580197,0.5118945793158773,0.19261567809937014,0.5680473372781055,0,0,0,0,0,5,1,1,1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3391519502467626,0.20412414523193154,0.696923425058676,0.20412414523193154,1.3391519502467626,0.20412414523193154,0.696923425058676,0.20412414523193154,2.9371229455960464,1.6329931618554523,0.4082482904638631,2.9371229455960464,1.6329931618554523,0.4082482904638631,6.784457050376174,3.5040358447538855,3.49683512458063,2.474179755261594,0.4082482904638631,0.0,0.0,0.0,0.8480571312970218,0.5005765492505551,0.349683512458063,0.2749088616957327,0.20412414523193154,0.0,0.0,0.0,6.784457050376174,3.5040358447538855,3.49683512458063,2.474179755261594,0.4082482904638631,0.0,0.0,0.0,0.8480571312970218,0.5005765492505551,0.349683512458063,0.2749088616957327,0.20412414523193154,0.0,0.0,0.0,12.876450234072873,24.99053168244719,23.52941176470589,23.84,15.18699041916167,200.51160119760482,0.49524808592587977,0.9611742954787381,0.9049773755656112,0.916923076923077,0.5841150161216027,7.711984661446339,3.0786000000000016,38.91,16.06827955146051,22.345290849721952,32.13655910292102,4.017069887865127,16.068279844495983,0.019225420323892628,0.0024031775404865785,-3.1612175203423947,41.53164166779724,5.191455208474655,2.981164469236707,41,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.44675925925926,0.0,1.2824074074074074,0.0,0.0,0.0,0.8124999999999998,0.0,0.0,0.0,0.0,0.0,0.5416666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.25,0.0,1.2824074074074074,0.0,0.0,0.0,0.8124999999999998,0.0,0.0,0.0,0.0,0.0,0.5416666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3171296296296298,0.0,1.2824074074074074,0.0,0.0,0.0,0.8124999999999998,0.0,0.0,0.0,0.0,0.0,0.5416666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.083333333333334,1.7604166666666667,0.2,2.3171296296296298,-0.0,0.5416666666666667,6.041141203703704,0.7083333333333333,0.31712962962962965,2.8935185185185186,0.7083333333333333,0.31712962962962965,2.8935185185185186,4.0,0.5,0.0,0.0,0.42308,0.7,0.42308,0.42308,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.625,0.125,0.125,3.5,0.4375,3.5,0.4375,0.0,0.0,-3.5,-0.4375,0.0,0.0,9.90646,1.23831,9.90646,0.0,0.0,3.50403,0.438,3.50403,0.0,0.0,0.40997,0.05125,0.40997,0.05125,0.0,7.0,0,0,0,0,0,0,1.0,0.8904916402194915,1.3670439296642296,2.215695143751563,3.093730583109656,2.912944440104229,2.2667229450055997,23.15278264570678,35.54314217126997,57.608073737540636,80.43699516085105,75.73655544270996,58.93479657014559,0.1894485821789581,0.29083320107014615,0.4713803977104966,0.6581789723139242,0.6197174338523856,0.4822363610487983,3.809948077921601,3.333395788476863,2.48474457438953,1.6067091350314366,1.7874952780368636,2.433716773135493,0.19175693730143042,0.29437688718145805,0.4771239791254275,0.666198619570029,0.6272684426615582,0.48811221803049837,6.648700044059478,12.367327517396333,16.43979251356705,17.32469860833525,15.155264892270132,7.400606951086575,31.725216152945546,23.587362562500147,18.787785033334355,18.857212034918422,17.77249517688586,12.187270951767426,8.0,2.52,2.2222222222222223,8,0,5,2.34,1.2358000000000005,3.412787518465366,2.4417967096529347,3.041821709466029,3.2987697769322355,0.0,0.4999999999999999,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.15399999999999997,0.131,0.009000000000000008,0.003999999999999948,3.126,10.0,9.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,36.0,2.0794415416798357,2.3978952727983707,2.302585092994046,1.0986122886681098,0.0,0.0,0.0,0.0,0.0,0.0,3.6109179126442243,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.2857142857142857,7.0,1.0,0,2.0,4.0,1.0,3.5,1.7777777777777781,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5,0.1777777777777778,0.027777777777777776,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7055555555555556,16.06827955146051,22.345290849721952,32.13655910292102,4.017069887865127,16.068279844495983,0.019225420323892628,0.0024031775404865785,-3.1612175203423947,41.53164166779724,5.191455208474655,2.981164469236707,0.0,146.92433570773346,4.0,3.5553480614894135,4.290459441148391,5.10594547390058,5.883322388488279,6.693323668269949,7.479299637782834,8.287780027088433,9.075779878580487,9.883743923499516,75.25500250024788,2.70805020110221,0.0,4.007333185232471,0.0,5.517452896464707,0.0,7.089243155027514,0.0,8.67846133901236,8.908829791587868,114.14085057599999,4.3900327144615385,14.271679689737732,1.7839599612172166,0.0,0.0,0.0,62.0,9.0,4.807,34.0,1.2277999999999998,2.115728773290938,2.940064520325003,3.4950785466315906,3.96015829637873,5.352201743647856,0.0,0.0,0.0,0.0,71.22212779891994,87.33182300294538,90.76614616240941,40.07092916466497,12.249733694972594,5.438179512457816,0.0,0.0,0.0,0.0,272.54988247666296,351.76502363100604,436.79343543714276,313.13239178875176,185.13997464089596,166.36647114232926,0.0,0.0,0.0,0.0,8.91936322256,15.034844997527768,20.9173801816443,24.3489975410024,26.90223474554312,35.95857473543535,0.0,0.0,0.0,0.0,2.0816483842615985,2.816384766535608,3.703871043097185,3.107316383492106,2.2568686427297378,2.379657964581156,0.0,0.0,0.0,0.0,176.77647004622915,329.69950746599505,454.28609459534096,577.9659107128508,708.7214704726028,989.7165795954529,0.0,0.0,0.0,0.0,2.5565449999999994,3.529969945654207,5.379087258944615,5.544585644530481,4.701835477468667,5.352201743647856,0.0,0.0,0.0,0.0,0.43219890000000005,0.5910227669426933,0.7838805266716958,0.6751424212354242,0.5075749896671571,0.5480654585495405,0.0,0.0,0.0,0.0,361.80609943995495,156.7206892806668,8.626990042528552,122.93277855468831,-53.249820332218334,-7.25866860474831,238.87332088526665,209.9705096128851,15.885658647276863,0.7463938129673874,0.3233095103265034,0.017797190269157423,0.2536061870326127,-0.10985258816563664,-0.014974389169643876,175.38148269414208,75.96861108045753,4.18183747368625,59.59029714536356,-25.81225816125586,-3.5185588752006383,0.069405412182711,0.14955802838964255,1.037923557823902,7.506623699211857,484.73887799464325,0.0,1.0,0.0,434.5709840230496,20.84636620668095,7.574493114672902,608.9376334952269,24.676661716999465,8.475999811250391,811.953563868975,28.494798891534135,9.32918554706151,1.3567128507615636,1.205835205461778,385.46927231387775,331.88644544012226,174.2415472332623,1.1614492776368075,2.212269567360066,1.9047491870341122,3.9362968793882205,3.220218460982486,6.424246450394837,0.9949722443472996,5.020209961846435,6.63971426355951,3.020041699486777,38.63538880710869,6.684528744703867,10.007851522484868,12.995703583866307,15.463053493894447,7.191345343586125,5.573905441909532,0.8842203317266489,1.1267105526461845,8.026179104848394E-15,1.1027773721920957E-50,2.922420801982873E-108,1.4937350086590368E-187,1.4725846652083677E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.42131143465514315,6.639327168544239,0.1713390999087386,11.352746164009066,3.0183649779513284,0.27420313948589026,0.9323814152377347,0.7415307142810148,1.0290521812256679,0.07636486897640477,0.0062287044590006455,0.00793551454809677,5.652903569827095E-17,7.766951201255298E-53,2.058284866093577E-110,1.0520497801654618E-189,1.037153420336769E-290,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.360044669092351,6.639353743707711,0.6072094834278492,15.329279362445705,3.285757868442281,1.2578325654970075,2.8164759437290217,2.720019040838583,1.5227330188599035,0.5044292035579667,0.06489951447535151,0.08269417990504466,5.890761360915981E-16,8.093761986793297E-52,2.1448915250668306E-109,1.0963169843968191E-188,1.0807938289399416E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.738668689405455,6.639672014634653,2.7941339787629684,36.40181393528023,6.2899448975198355,9.05706005281432,12.052616964104546,14.198674852291871,6.5437545221214855,4.991800041704391,0.787825132102195,1.0038788176264721,7.15118108276359E-15,9.825547847239097E-51,2.6038243206397363E-108,1.330891000193545E-187,1.3120464249601051E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0044556054483493,6.639387557002863,0.9496556235252678,18.53187189573033,3.6121185062906176,2.2309388449237924,4.281553065617712,4.382974884016849,2.0885286862632606,1.0043748747744599,0.14096778874560723,0.17962280889814702,1.2795520838484675E-15,1.7580732577434633E-51,4.658991007066404E-109,2.3813469872513914E-188,2.3476286192921382E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.062630570604627,6.63989175585775,3.914964528981824,47.544954011008706,8.338680779441777,13.931171773978079,16.719812576847325,20.55679393485246,9.896033041159274,8.007983207209074,1.2895487686983964,1.6432014510045563,1.1705427911484995E-14,1.6082971565902106E-50,4.26207608598847E-108,2.1784721265636447E-187,2.147626338383388E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.089828700536421,5.16475100312539,1.2352493832197464,23.111818681829405,4.914117434137733,4.0811482046442515,6.794334343268811,6.894160715399655,3.4356499289652955,1.9543211816441077,0.285322735460931,0.3635644568883175,2.5898696344764824E-15,3.5584175141354835E-51,9.430002489784727E-109,4.8199509260185865E-188,4.75170346786188E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.083265923549186,1.5731022187049581,1.0019851877674615,0.5449051594551825,0.2780141371445518,0.4805367800193789,0.4875996959875951,0.42758990081380865,5.658353330021606,9.515904372523561,20.034178909008293,0.31735773918277377,1.3957263768207826,2.3791560617332443,0.9980228689417181,0.5302651012659426,0.6088778347905012,0.25541578095130907,0.2858213798031975,0.195520592208432,0.12082558308219121,3.9074440319409054,4.165252286058659,9.331785432219954,0.4133167521857518,0.6021675550938207,2.669323670568784,1.2349710026866547,0.7248036688313687,0.5766400869689554,0.2667843522481588,0.3599425637797887,0.2998174352621293,0.2248547546902425,4.629098342086808,6.126384433311864,13.144825126576976,0.3649601304534332,0.8846147537321606,3.0668580872347047,1.5596975980811014,0.9910047045201191,0.5459412760001108,0.2776467879015817,0.4754238497173344,0.4792801056482614,0.4183462445756807,5.6175603898359245,9.368309642187837,19.726213387074502,0.3189119140001661,1.3730501999412765,2.794081019465533,1.3368686538102958,0.8083808262494587,0.5656801098314981,0.2706578662713055,0.39444814072637163,0.3515733291837807,0.27926064517028654,4.939330499525288,7.074699841207432,15.033590867936992,0.3485201647472471,1.025282115080439,3.1343199007067026,1.614812260328714,1.0361485763972318,0.5417749013330733,0.27912426961069553,0.49662183308313607,0.513950448715676,0.45698728433292113,5.7852807374326485,9.982144731232617,21.011723842838492,0.31266235199960996,1.467559566131733,3.0743985696978102,1.5637420900685495,0.9924378079643714,0.5460182443628874,0.27772316805999114,0.47784676506113394,0.48197571234518083,0.4193908727420591,5.630578467730731,9.410632594491961,19.812421766623945,0.3190273665443311,1.3792133501483739 +UMLCN0427,L,"2,2,3-Trimethylpentane",CCC(C)C(C)(C)C,Alkanes,,C8H18,Kubic (2016),Unknown,PubChem,,14,0,1.4528999999999996,2.110918409999999,36.4724,26.082273999999977,0,0,26,8,18,0,8,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1172.4021199999981,1227.7764309999995,1725.2541699999977,1698.0015439999977,987.0129390000003,272.79504000000054,27.433728000000002,0.0,0.0,3947.6426137513863,5029.877406914641,7256.714488539585,8778.46752303769,7488.257092201617,3743.78129393958,839.2610996351166,0.0,0.0,181.25648000000004,180.9009880000001,339.48848799999996,447.4030400000002,623.8929720000006,490.91443199999964,181.39852800000006,0.0,0.0,30.314232287281975,39.56609758000002,59.500781297584055,76.19789159333897,75.14314173820497,44.05289444184603,12.004548430923007,0.0,0.0,4342.872585156482,3643.766351462201,7595.322042971787,9785.841120354342,15132.82441330301,12741.759068141648,4992.776604654723,0.0,0.0,43.59027777777778,51.16666666666667,77.20833333333333,113.25,134.25,90.0,27.0,0.0,0.0,45.09238923076916,49.11105723999998,35.94279520833329,26.952405460317422,10.966810433333336,3.7888200000000074,1.016064,0.0,0.0,151.83240822120717,201.19509627658564,151.18155184457467,139.34075433393159,83.20285658001796,51.9969624158275,31.083744430930242,0.0,0.0,6.971403076923078,7.236039520000004,7.0726768333333325,7.101635555555559,6.932144133333339,6.8182559999999945,6.718464000000002,0.0,0.0,1.1659320110493068,1.5826439032000008,1.2395996103663345,1.209490342751412,0.8349237970911664,0.6118457561367504,0.4446129048490003,0.0,0.0,167.033560967557,145.75065405848804,158.23587589524556,155.3308114341959,168.14249348114456,176.96887594641177,184.917652024249,0.0,0.0,1.6765491452991452,2.046666666666667,1.6085069444444444,1.7976190476190477,1.4916666666666667,1.25,1.0,0.0,0.0,0.03486837233766953,-0.00982972444357184,0.012622775743603706,-0.020707287737135784,-0.018771178855650602,0.004667458376613412,0.014583770747306348,0.0,0.0,670.519434461538,-58.02572028994015,196.28453530177563,-544.4388570414189,-393.2854375207105,154.73525410650768,309.470508213017,0.0,0.0,1246.859520586465,-107.9013046661365,364.99947504347324,-1012.4073030402902,-731.3310649593641,287.73681244303015,575.4736248860604,0.0,0.0,0.13135015384615364,-0.011366840236684102,0.03845079289940995,-0.10665183431952369,-0.0770419171597643,0.030311573964493334,0.06062314792899172,0.0,0.0,5.57404219300985,-0.4823690359335298,1.6317174795776792,-4.525931695178914,-3.269390132438464,1.2863174291560917,2.572634858312221,0.0,0.0,30.27828565910215,-2.6202362589608947,8.863515246360993,-24.5849328001258,-17.759379088511743,6.987296690562263,13.974593381124194,0.0,0.0,4.000267094017092,-2.4914427186061774,2.2206607495069037,-1.2129869329388525,-1.7244822485207139,-0.2699704142011863,1.4780880177514777,0.0,0.0,0.0013410912437565206,-3.9318897774287363E-4,2.6297449465841055E-4,-3.2868710693866325E-4,-2.0856865395167334E-4,6.482581078629738E-5,5.401396573076425E-4,0.0,0.0,25.789209017751464,-2.321028811597606,4.089261152120326,-8.641886619705062,-4.3698381946745615,2.1491007514792733,11.461870674556186,0.0,0.0,47.95613540717173,-4.31605218664546,7.6041557300723595,-16.06995719111572,-8.125900721770712,3.996344617264308,21.31383795874298,0.0,0.0,0.005051928994082832,-4.546736094673641E-4,8.010581854043739E-4,-0.0016928862590400585,-8.560213017751589E-4,4.209940828401852E-4,0.0022453017751478416,0.0,0.0,0.21438623819268654,-0.01929476143734119,0.033994114157868315,-0.07184018563776054,-0.036326557027094045,0.017865519849390162,0.09528277253008227,0.0,0.0,1.1645494484270058,-0.1048094503584358,0.1846565676325207,-0.3902370285734254,-0.19732643431679714,0.09704578736892032,0.5175775326342295,0.0,0.0,0.15385642669296506,-0.09965770874424709,0.04626376561472716,-0.019253760840299245,-0.019160913872452376,-0.003749589086127587,0.054744000657462134,0.0,0.0,-0.2931858511293497,0.19608993488153326,-0.24508929460905304,-0.15552159849128033,0.048338106067052,0.40276130339548066,0.0,0.0,-0.08999999999999901,0.1585648148148153,-0.33509700176366786,-0.16944444444444476,0.08333333333333273,0.4444444444444437,0.0,0.0,-0.0900000000000001,0.1585648148148146,-0.33509700176366786,-0.16944444444444334,0.08333333333333327,0.4444444444444442,0.0,0.0,-0.08999999999998202,0.15856481481482193,-0.3350970017636597,-0.16944444444444687,0.08333333333332327,0.4444444444444278,0.0,0.0,-0.08999999999999722,0.1585648148148157,-0.33509700176366664,-0.16944444444444415,0.08333333333333155,0.4444444444444415,0.0,0.0,-0.09000000000000452,0.1585648148148129,-0.3350970017636701,-0.16944444444444354,0.08333333333333605,0.4444444444444484,0.0,0.0,-0.6477318555117844,0.3006943980770517,-0.12514108935288046,-0.12453762435734828,-0.024370701742672366,0.35581224544301243,0.0,0.0,1.8300001899365412,0.8071500781874463,1.465824467151015,1.1188349061282161,0.6591967456221949,9.417895325846822E-5,0.0,0.0,1.625000000000002,1.0344328703703716,1.5762786596119953,1.0532407407407423,0.5642361111111118,0.0,0.0,0.0,1.6249999999999982,1.0344328703703691,1.5762786596119909,1.0532407407407394,0.5642361111111105,0.0,0.0,0.0,1.6250000000000002,1.0344328703703702,1.5762786596119929,1.0532407407407405,0.564236111111111,0.0,0.0,0.0,1.6249999999999991,1.0344328703703698,1.5762786596119907,1.0532407407407394,0.5642361111111108,0.0,0.0,0.0,1.6249999999999991,1.03443287037037,1.5762786596119909,1.0532407407407394,0.5642361111111108,0.0,0.0,0.0,2.2533217600320503,0.50994858783468,1.3743295274977194,1.126226881217868,0.7811978366829143,0.0,0.0,0.0,32.6303372244831,16.31516861224155,23.27034508488571,32.6303372244831,4.0787921530603874,16.31516884190785,-3.552713678800501E-15,0.10653334068243014,0.013316667585303768,-1.7914378278192935,30.340405669881402,3.7925507087351753,2.7299842756997728,32.6303372244831,16.31516861224155,23.27034508488571,32.6303372244831,4.0787921530603874,16.31516884190785,-3.552713678800501E-15,0.10653334068243014,0.013316667585303768,-1.7914378278192935,30.340405669881402,3.7925507087351753,2.7299842756997728,32.6303372244831,16.31516861224155,23.27034508488571,32.6303372244831,4.0787921530603874,16.31516884190785,-3.552713678800501E-15,0.10653334068243014,0.013316667585303768,-1.7914378278192935,30.340405669881402,3.7925507087351753,2.7299842756997728,32.6303372244831,16.31516861224155,23.27034508488571,32.6303372244831,4.0787921530603874,16.31516884190785,-3.552713678800501E-15,0.10653334068243014,0.013316667585303768,-1.7914378278192935,30.340405669881402,3.7925507087351753,2.7299842756997728,32.6303372244831,16.31516861224155,23.27034508488571,32.6303372244831,4.0787921530603874,16.31516884190785,-3.552713678800501E-15,0.10653334068243014,0.013316667585303768,-1.7914378278192935,30.340405669881402,3.7925507087351753,2.7299842756997728,32.6303372244831,16.31516861224155,23.27034508488571,32.6303372244831,4.0787921530603874,16.31516884190785,-3.552713678800501E-15,0.10653334068243014,0.013316667585303768,-1.7914378278192935,30.340405669881402,3.7925507087351753,2.7299842756997728,46.41952657689613,23.058113982892507,34.317947814592735,46.1920526185628,5.77400657732035,23.05811398310972,-0.3032986111111171,0.08659039022550419,0.010823798778188023,-1.9572531495552103,25.423943990114036,3.1779929987642546,2.5885531254079344,0,11.889999999999999,12.110114161591722,-0.15816826760079106,0.0633171833152952,5.59855697362625,9.218400948862351,7.0,25.0,25.0,25.0,7.0,0.0,0.0,0.0,0.0,0.0,19.677725999999996,3.6152984399631336,3.071369480085445,2.633404257630615,2.33355279310305,2.3335527931030464,1.8383932894420572,1.2274346180242763,0.40644182340300594,1.9621643854288775,1.64639499141574,1.4040418593560222,1.2496297225843565,1.2496297225843558,0.8900793482275632,0.4700459715268616,0.08392307051869037,3.6373748154547405,3.111265539003918,2.6906931594685854,2.40545458784129,2.405454587841288,1.9227407965086933,1.3309450885945437,0.5226399206302739,1.9089280428837514,1.5655453473895302,1.3025447481518424,1.1345406859483511,1.1345406859483507,0.7611325281119882,0.3229391436589564,0.2709139018929362,3.736755695755427,3.2857479058067636,2.934594266142067,2.70423698723352,2.7042369872335197,2.270668972029958,1.7508199603976544,0.9626162765878788,1.7570422157438736,1.3202267249597521,0.9814516706262585,0.7603185604308984,0.760318560430898,0.3353505318330438,0.17246020045628788,0.9439184268026213,3.6537628548309775,3.1406366178620697,2.732524027350326,2.4575399160416955,2.4575399160416938,1.9837326749178168,1.4054082809316468,0.6043968973259984,1.8754324913218705,1.5133571171242262,1.2359544664668176,1.0582626705327116,1.0582626705327105,0.6751659598018827,0.22416509095912127,0.3992772455089811,3.7865012590159455,3.3695730856642268,3.0477467345125153,2.8389820851496497,2.8389820851496483,2.4256981025200948,1.9340199267430318,1.207644822962089,1.7112202023121161,1.241780195060061,0.8741952105555397,0.6313372621875608,0.6313372621875605,0.18626697999429082,0.34992021678003227,1.1382273774965999,3.6068597871249404,3.1871353669176656,2.846756186376856,2.6072545986923394,2.6072545986923386,2.0561583020324967,1.4429746928232159,0.6155910844708614,1.9109678004995718,1.4480966186446287,1.1094857062949308,0.9031125868580197,0.9031125868580194,0.5727956227642538,0.1460823342645527,0.568047337278106,0,0,0,0,0,5,1,1,1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5701495490163702,0.2886751345948129,0.6123724356957946,0.20412414523193154,1.5701495490163702,0.2886751345948129,0.6123724356957946,0.20412414523193154,2.2948944204079593,1.7175441512183338,0.8164965809277261,2.2948944204079593,1.7175441512183338,0.8164965809277261,6.784457050376173,3.4813804754348494,3.6753212645389097,2.0907702751760278,0.6123724356957946,0.0,0.0,0.0,0.8480571312970216,0.4973400679192642,0.367532126453891,0.26134628439700347,0.20412414523193154,0.0,0.0,0.0,6.784457050376173,3.4813804754348494,3.6753212645389097,2.0907702751760278,0.6123724356957946,0.0,0.0,0.0,0.8480571312970216,0.4973400679192642,0.367532126453891,0.26134628439700347,0.20412414523193154,0.0,0.0,0.0,12.876450234072873,24.99053168244719,23.52941176470589,23.84,15.18699041916167,200.51160119760482,0.49524808592587977,0.9611742954787381,0.9049773755656112,0.916923076923077,0.5841150161216027,7.711984661446339,3.0786000000000016,38.91,16.31516861224155,23.27034508488571,32.6303372244831,4.0787921530603874,16.31516884190785,0.10653334068243014,0.013316667585303768,-1.7914378278192935,30.340405669881402,3.7925507087351753,2.7299842756997728,43,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.429976851851853,0.0,1.2951388888888888,0.0,0.0,0.0,0.849537037037037,0.0,0.0,0.0,0.0,0.0,0.5086805555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.245949074074074,0.0,1.2951388888888888,0.0,0.0,0.0,0.849537037037037,0.0,0.0,0.0,0.0,0.0,0.5086805555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3055555555555554,0.0,1.2951388888888888,0.0,0.0,0.0,0.849537037037037,0.0,0.0,0.0,0.0,0.0,0.5086805555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.083333333333332,1.7604166666666665,0.2,2.3055555555555554,-0.0,0.5086805555555556,6.047686921296296,0.7413194444444444,0.3055555555555556,2.8599537037037037,0.7413194444444444,0.3055555555555556,2.8599537037037037,4.0,0.5,0.0,0.0,0.42308,0.7,0.42308,0.42308,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.625,0.125,0.125,3.5,0.4375,3.5,0.4375,0.0,0.0,-3.5,-0.4375,0.0,0.0,9.87351,1.23419,9.87351,0.0,0.0,3.48137,0.43517,3.48137,0.0,0.0,0.43263,0.05408,0.43263,0.05408,0.0,7.0,0,0,0,0,0,0,1.0,0.8904916402194915,1.3670439296642296,2.1866610090529677,2.977594044315276,2.7968079013098492,2.073663329288143,23.15278264570678,35.54314217126997,56.85318623537716,77.41744515219717,72.71700543405608,53.91524656149171,0.1894485821789581,0.29083320107014615,0.46520350013503375,0.6334713820120729,0.5950098435505343,0.4411636897043805,3.809948077921601,3.333395788476863,2.513778709088125,1.7228456738258164,1.9036318168312434,2.62677638885295,0.19175693730143042,0.29437688718145805,0.4708718185261124,0.6411899771727687,0.6022598002642979,0.44653909263041525,6.648700044059478,12.367327517396333,16.091382897183905,16.888505008757,14.719071292691881,8.028569344136919,31.725216152945546,23.587362562500147,19.511527401747845,19.569286224683648,18.484569366651087,15.04963264954798,8.0,2.52,2.8125,8,0,5,2.34,1.2358000000000005,3.4532220233491784,2.2516000642010225,2.871745887492588,3.4941355938578966,0.0,1.0,0.4999999999999999,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.15399999999999997,0.131,0.009000000000000008,0.003999999999999948,3.126,10.0,8.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,36.0,2.0794415416798357,2.3978952727983707,2.1972245773362196,1.3862943611198906,0.0,0.0,0.0,0.0,0.0,0.0,3.6109179126442243,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.2857142857142857,7.0,1.0,0,2.0,4.0,1.0,3.5,1.5555555555555562,0.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5,0.1555555555555556,0.046875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7024305555555557,16.31516861224155,23.27034508488571,32.6303372244831,4.0787921530603874,16.31516884190785,0.10653334068243014,0.013316667585303768,-1.7914378278192935,30.340405669881402,3.7925507087351753,2.7299842756997728,0.0,146.92433570773346,4.0,3.5553480614894135,4.2626798770413155,5.093750200806762,5.8377304471659395,6.665683717782408,7.418780882750794,8.245121966478605,9.000976444070345,9.826552511062006,74.90662410864759,2.70805020110221,0.0,4.007333185232471,0.0,5.493061443340548,0.0,7.04141166379481,0.0,8.611593866837723,8.847216104357543,114.14085057599999,4.3900327144615385,14.275065064478461,1.7843831330598077,0.0,0.0,0.0,63.0,8.0,4.807,34.0,1.2277999999999998,2.1157287732909373,2.9405927315993297,3.483150920763967,4.039607182325749,5.232313992703412,0.0,0.0,0.0,0.0,71.22212779891997,87.33182300294538,85.08575206632307,43.532596467657875,17.66410326660671,5.316365884682199,0.0,0.0,0.0,0.0,272.54988247666296,351.765023631006,425.8101610795624,306.0325313542087,227.83799072122682,162.63991093157316,0.0,0.0,0.0,0.0,8.919363222559998,15.034844997527765,20.91707139655092,24.18647132525952,27.62796807228175,35.15311319667414,0.0,0.0,0.0,0.0,2.0816483842615985,2.816384766535608,3.6528928591128054,3.0102096500032918,2.613880004985621,2.3263543233779336,0.0,0.0,0.0,0.0,176.77647004622915,329.69950746599505,454.35052316287107,582.6750792134285,708.122789455468,967.5472181843387,0.0,0.0,0.0,0.0,2.5540066666666656,3.5663338746759234,5.37808132331652,5.305411836148929,5.2621817466314535,5.232313992703412,0.0,0.0,0.0,0.0,0.43219890000000016,0.5910227669426934,0.7744241112747173,0.6539780702812207,0.5818820355186213,0.5357889528528295,0.0,0.0,0.0,0.0,365.5889696939587,158.5222280941967,8.710041916139398,132.52461724979705,-57.463707456367494,-7.943168727602727,233.06435244416164,215.9859355505642,16.653210643742124,0.7339469937711999,0.31824513976185953,0.017486055679751793,0.2660530062288002,-0.11536265816185412,-0.01594650082993947,182.10483304132975,78.96207564631652,4.3385902212786585,66.01231245664472,-28.623453440177855,-3.9566002666056623,0.06990638844268073,0.149945247573607,1.1103672545996524,8.544623402024301,498.1135869437557,0.0,1.0,0.0,434.5709840230496,20.84636620668095,7.574493114672902,608.9376334952268,24.67666171699946,8.475999811250391,802.7825625589971,28.333417770523152,9.293928138820101,1.3567128507615633,1.2058352054617782,402.23509762428864,350.66554140162424,175.53778372172738,1.1470619440294556,2.291444548838186,1.9976641721620427,4.005806408562046,3.220218460982486,6.424246450394837,0.9949722443472996,5.02020996184643,6.639747310611299,3.146753004910046,33.39584926272615,5.779165730881735,8.175491935128242,12.123519919014912,15.87589566295555,7.307921635960791,6.8486783460063645,1.605890969390015,1.1267105556755486,8.026179104848394E-15,1.1027773721920957E-50,2.922420801982873E-108,1.4937350086590368E-187,1.4725846652083677E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4213114346551427,6.639327401297325,0.17223154106259267,11.195071955880255,2.5200860176607,0.19838441695465384,0.7911793725903522,0.8284462027381884,1.0790779256795724,0.08538073256185387,0.011311489767669254,0.007935514569432828,5.652903569827095E-17,7.766951201255298E-53,2.058284866093577E-110,1.0520497801654618E-189,1.037153420336769E-290,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3600446690923496,6.639356169174339,0.6165093842289131,14.634440990720092,2.7621751177400937,0.9617114060591434,2.4053234988820593,2.925947131276918,1.6577054190339706,0.5980867539228873,0.11786605623975004,0.08269418012738285,5.890761360915981E-16,8.093761986793297E-52,2.1448915250668306E-109,1.0963169843968191E-188,1.0807938289399416E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.738668689405451,6.639701458962834,2.907031472756041,31.650320070890302,5.429947728486126,7.381141140661071,11.182469138255302,14.610131130489574,6.681502244859572,6.1276255930660986,1.4308206776322843,1.003878820325581,7.15118108276359E-15,9.825547847239097E-51,2.6038243206397363E-108,1.330891000193545E-187,1.3120464249601051E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.004455605448348,6.63939282544049,0.9698562432270347,17.31978141840186,3.0540062286660588,1.7425391662548462,3.720938774120614,4.655017803327455,2.260625367320421,1.2077192272953179,0.25601819519823704,0.17962280938109523,1.2795520838484675E-15,1.7580732577434633E-51,4.658991007066404E-109,2.3813469872513914E-188,2.3476286192921382E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.062630570604622,6.639939951876971,4.099761049403092,40.29750171325229,7.242135323349496,11.464053120815285,15.88859003273553,20.953685878422945,9.905556565237017,9.86699725786217,2.342037569988796,1.6432014554225989,1.1705427911484995E-14,1.6082971565902106E-50,4.26207608598847E-108,2.1784721265636447E-187,2.147626338383388E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0898287005364007,5.152009510083223,1.2610836804214007,21.237645147868573,3.98938316418468,3.224142370538071,5.842686940369949,7.252823959087319,3.6797865613993768,2.3658196044143196,0.5181898128288657,0.3635644578658259,2.5898696344764824E-15,3.5584175141354835E-51,9.430002489784727E-109,4.8199509260185865E-188,4.75170346786188E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.232310160867924,1.5717226868504814,1.0315829223637474,0.5538935886490725,0.26933279173525076,0.4949258251671559,0.48781911420344076,0.4722726027743829,5.8356157700821525,10.036053454954233,21.112415005036606,0.3308403829736086,1.4550175421449796,2.529466781310473,0.9949993327952351,0.5433377431117772,0.6218261425811993,0.24460356686810558,0.3025591080456133,0.1948730122004898,0.13148034154491758,4.067803857217486,4.431793223843762,9.867079162457472,0.43273921387179903,0.6289124617910207,2.8191417696354635,1.232692723002239,0.7445902519349917,0.5877589912831243,0.25700241088887504,0.376107663811972,0.2995045783628573,0.24652713906079157,4.796424744572694,6.492092010213287,13.876068805404225,0.3816384869246863,0.922139381235621,3.215934426531416,1.5582853976520816,1.0202092061285968,0.5550045413807067,0.2689282049189497,0.4899048965581995,0.47947886846469323,0.46194868023707275,5.794429030312093,9.882046673384181,20.78909463730569,0.33250681207105987,1.4313324452599654,2.9436741180655397,1.3348789929216962,0.8310986546965107,0.5761007311369354,0.2612465690688942,0.4101971521857722,0.3514199731286649,0.30694773683039106,5.109651765683747,7.485348476802052,15.860759805837912,0.3641510967054032,1.068564862144828,3.2832635488130375,1.613533024647627,1.0669719131192774,0.5505350444440038,0.2705559460060369,0.5107131559864748,0.5142333910204487,0.5051216078447299,5.963768486579942,10.52239857277285,22.13861525843408,0.32580256666600566,1.5300681548516537,3.223945742441673,1.5623894651694723,1.0223640744827447,0.5550202525339755,0.2689740661882345,0.49245165382681366,0.48220396389346587,0.46383614570440274,5.80869928209389,9.930436028962388,20.8888433349396,0.33253037880096326,1.4384917634246823 +UMLCN0428,L,"3,4-Dimethylhexane",CCC(C)C(C)CC,Alkanes,,C8H18,Kubic (2016),Unknown,PubChem,,20,0,-0.2065999999999999,0.042683559999999954,34.691199999999995,26.082273999999977,0,0,26,8,18,0,8,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1172.4021199999981,1227.7764309999995,1483.1221519999979,1564.909255999997,1089.7897959999966,460.40719300000114,103.124448,9.144576,0.0,3947.6426137513863,5029.877406914643,6806.459661661139,7774.633059762618,7153.8771058840985,4470.825939016327,1620.9320311510182,279.75369987837234,0.0,181.25648000000004,180.90098800000004,339.44105599999995,442.6130239999998,502.9843359999999,493.33315599999963,244.25971200000018,60.46617599999999,0.0,30.314232287281975,39.56609758000002,57.48793272788606,68.17071473152703,68.14653373577205,49.07290715760109,20.019653005469994,4.001516143641,0.0,4342.872585156482,3643.766351462201,7584.3882175948875,10167.38237209053,11809.773589554976,12556.455354962003,6466.264847004871,1664.258868218241,0.0,42.05555555555556,49.77777777777778,74.66666666666667,97.91666666666669,113.0,94.0,42.0,9.0,0.0,45.09238923076916,49.11105723999998,30.89837816666662,24.83982946031741,15.135969388888842,6.394544347222238,2.8645680000000002,1.016064,0.0,151.83240822120717,201.19509627658573,141.80124295127374,123.40687396448601,99.35940424839026,62.09480470856009,45.02588975419495,31.08374443093026,0.0,6.971403076923078,7.236039520000002,7.071688666666666,7.025603555555553,6.985893555555554,6.851849388888883,6.784992000000005,6.718463999999999,0.0,1.1659320110493068,1.5826439032000008,1.197665265164293,1.0820748370083655,0.9464796352190563,0.6815681549666818,0.5561014723741665,0.444612904849,0.0,167.033560967557,145.75065405848804,158.00808786656015,161.38702177921476,164.02463318826355,174.39521326336114,179.6184679723575,184.917652024249,0.0,1.6175213675213675,1.991111111111111,1.5555555555555556,1.5542328042328046,1.5694444444444444,1.3055555555555556,1.1666666666666667,1.0,0.0,0.036047443337830595,-0.007598785420775302,-0.004383135936236549,0.001712488120892722,-0.02153273883366897,0.0011566331397073735,0.007892153100990168,0.004729664160175196,0.0,670.519434461538,-58.02572028994014,-45.84748269822434,-97.42590073372752,-478.5331006627216,52.2947849526618,189.12086613017686,103.15683607100566,0.0,1246.859520586465,-107.9013046661365,-85.2553518349721,-181.16762264931572,-889.8527347775163,97.24438568676464,351.6783263192593,191.82454162868686,0.0,0.13135015384615364,-0.011366840236684104,-0.008981207100590007,-0.019085065088756174,-0.09374134911242549,0.010244189349109537,0.037047479289938595,0.020207715976330587,0.0,5.57404219300985,-0.4823690359335299,-0.38113109012032054,-0.809903566505698,-3.9780557531309486,0.43472764966848243,1.5721657467463523,0.8575449527707408,0.0,30.27828565910215,-2.6202362589608956,-2.0703101305369973,-4.399409027390982,-21.608861987478864,2.3614474926438445,8.540029288464835,4.658197793708065,0.0,3.487179487179488,-1.6415187376725826,-0.28402366863905254,1.3708086785009885,-1.8619329388560142,-0.15680473372781023,0.40236686390532495,0.42751479289940786,0.0,0.0013864401283780999,-3.039514168310121E-4,-9.131533200492811E-5,2.71823511252813E-5,-2.9906581713429127E-4,1.606434916260241E-5,2.1922647502750468E-4,5.255182400194662E-4,0.0,25.789209017751464,-2.3210288115976057,-0.9551558895463405,-1.5464428687893257,-6.646293064760022,0.7263164576758583,5.253357392504913,11.461870674556184,0.0,47.95613540717173,-4.31605218664546,-1.7761531632285854,-2.8756765499891386,-12.359065760798837,1.3506164678717312,9.768842397757204,21.313837958742983,0.0,0.005051928994082832,-4.5467360946736417E-4,-1.871084812622918E-4,-3.0293754109136787E-4,-0.0013019631821170206,1.4228040762652135E-4,0.0010290966469427387,0.002245301775147843,0.0,0.21438623819268654,-0.0192947614373412,-0.007940231044173345,-0.01285561216675711,-0.05525077434904095,0.006037884023173367,0.04367127074295423,0.09528277253008231,0.0,1.1645494484270058,-0.10480945035843582,-0.04313146105285411,-0.06983188932366638,-0.30012308315942865,0.03279788184227562,0.23722303579068985,0.5175775326342295,0.0,0.13412228796844186,-0.0656607495069033,-0.005917159763313595,0.021758867912714103,-0.02586017970633353,-0.002177843523997364,0.01117685733070347,0.04750164365548976,0.0,-0.2192315489213254,-0.06586316288446699,0.019605860050430052,-0.21570770422243016,0.011586760101494594,0.1581218478463708,0.3790414236164915,0.0,-0.08999999999999898,-0.037037037037036646,-0.059964726631393156,-0.25771604938271603,0.028163580246913098,0.20370370370370314,0.4444444444444436,0.0,-0.0900000000000001,-0.0370370370370371,-0.0599647266313934,-0.257716049382715,0.028163580246913508,0.20370370370370372,0.4444444444444443,0.0,-0.08999999999998204,-0.03703703703703005,-0.059964726631389555,-0.2577160493827149,0.02816358024690568,0.20370370370369173,0.4444444444444281,0.0,-0.08999999999999725,-0.03703703703703596,-0.059964726631392795,-0.2577160493827152,0.02816358024691223,0.20370370370370167,0.4444444444444417,0.0,-0.09000000000000455,-0.03703703703703879,-0.059964726631394266,-0.25771604938271575,0.02816358024691589,0.2037037037037067,0.4444444444444484,0.0,-0.4895588235294112,-0.0441176470588234,0.16223155929038305,-0.19281045751633963,-0.016237745098039165,0.08333333333333319,0.3541666666666662,0.0,1.7553193846239679,1.1120078428149225,1.0124291610443201,1.2918657684541002,0.7615830310917855,0.4474802282274639,0.0,0.0,1.625000000000002,1.2225115740740757,1.1463844797178147,1.25385802469136,0.6896219135802478,0.37615740740740766,0.0,0.0,1.6249999999999982,1.2225115740740724,1.1463844797178115,1.2538580246913564,0.6896219135802462,0.37615740740740716,0.0,0.0,1.6250000000000002,1.222511574074074,1.1463844797178129,1.2538580246913578,0.6896219135802468,0.3761574074074075,0.0,0.0,1.6249999999999991,1.2225115740740735,1.1463844797178124,1.2538580246913564,0.6896219135802466,0.37615740740740716,0.0,0.0,1.6249999999999991,1.2225115740740733,1.146384479717812,1.2538580246913564,0.6896219135802466,0.37615740740740705,0.0,0.0,2.1029411764705874,0.8712469362745092,0.7491538281979455,1.3773999183006531,0.8712469362745096,0.5974264705882351,0.0,0.0,35.351739635763636,17.675869817881818,25.647730671582757,35.351739635763636,4.4189674544704545,17.675869880002175,0.0,4.440892098500626E-16,5.551115123125783E-17,-28.280404966845772,29.187248377901284,3.6484060472376605,2.6989855316050777,35.351739635763636,17.675869817881818,25.647730671582757,35.351739635763636,4.4189674544704545,17.675869880002175,0.0,4.440892098500626E-16,5.551115123125783E-17,-28.280404966845772,29.187248377901284,3.6484060472376605,2.6989855316050777,35.351739635763636,17.675869817881818,25.647730671582757,35.351739635763636,4.4189674544704545,17.675869880002175,0.0,4.440892098500626E-16,5.551115123125783E-17,-28.280404966845772,29.187248377901284,3.6484060472376605,2.6989855316050777,35.351739635763636,17.675869817881818,25.647730671582757,35.351739635763636,4.4189674544704545,17.675869880002175,0.0,4.440892098500626E-16,5.551115123125783E-17,-28.280404966845772,29.187248377901284,3.6484060472376605,2.6989855316050777,35.351739635763636,17.675869817881818,25.647730671582757,35.351739635763636,4.4189674544704545,17.675869880002175,0.0,4.440892098500626E-16,5.551115123125783E-17,-28.280404966845772,29.187248377901284,3.6484060472376605,2.6989855316050777,35.351739635763636,17.675869817881818,25.647730671582757,35.351739635763636,4.4189674544704545,17.675869880002175,0.0,4.440892098500626E-16,5.551115123125783E-17,-28.280404966845772,29.187248377901284,3.6484060472376605,2.6989855316050777,46.76293867841622,23.25299711698589,34.915789971204205,46.57023034508288,5.82127879313536,23.252997117190116,-0.2569444444444464,3.885780586188048E-16,4.85722573273506E-17,-28.387230080945386,26.401319451289694,3.300164931411212,2.618731190495096,0,11.89,12.110114161591724,-0.16903585633751234,0.051418417033746666,5.51255015440643,8.586130946560685,7.0,25.0,25.0,25.0,7.0,0.0,0.0,0.0,0.0,0.0,19.677725999999996,3.57452379586699,3.101489963996668,2.7237533634204345,2.575306449391428,1.9242332596797962,1.7440959463910248,1.2881361349794622,0.8017648351067799,1.9487047556457195,1.669661870575056,1.4533413205291552,1.3743417063624936,0.9423197528624673,0.8430006707388176,0.5425990837737893,0.2879500241955536,3.5991190554802053,3.141133144993733,2.777312368264749,2.635344871022501,2.0055480358217874,1.8332722342809693,1.394339446077613,0.9356341209948899,1.8927304568752528,1.5899903059884277,1.3560673457233765,1.2701024219123098,0.8169067610323363,0.7097420750898966,0.3960242000893712,0.12282849508196943,3.7083712451683635,3.3139493614758715,3.0064507372987137,2.889784994746526,2.3414490712255267,2.1992350119527906,1.821569341474901,1.4568858465889767,1.7303959312361084,1.3480167173173423,1.0507034041794345,0.938446788455689,0.404011052426105,0.2669142149001746,0.10092888028797595,0.4512110327161897,3.617297671798536,3.1702831046566895,2.816477119385414,2.6791192363529954,2.064367534949719,1.8976518950927328,1.4705130590934286,1.030547103709865,1.8572865375902485,1.5385530095047288,1.292438026877459,1.2015663862027486,0.7333906890356449,0.6206924472668975,0.2973771042729996,0.010734560216794227,3.76222451255913,3.3967406494483012,3.113447807565931,3.0071757319266617,2.491467899926952,2.3612627373079804,2.00637722550078,1.6748685865057589,1.6805192625765297,1.2704730561287116,0.9495235007231744,0.8269556308936188,0.2598730853177675,0.11075241078953678,0.28044743527711696,0.6652429441074338,3.5801485491390905,3.2267313870140155,2.9423408455416027,2.8301745655425687,2.1691526931127045,1.9888543817684787,1.5391601018199212,1.1295879588617501,1.8815700331299632,1.4679915074486645,1.1557480792365813,1.0422035521828654,0.603807728947227,0.498450374976984,0.1927590372388976,0.11930665962934006,0,0,0,0,0,4,2,2,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.47140452079103173,0.0,0.16666666666666666,0.0,0.47140452079103173,0.0,0.16666666666666666,0.0,1.2761423749153968,1.1380711874576983,0.6666666666666666,1.2761423749153968,1.1380711874576983,0.6666666666666666,6.568914100752346,3.718744015013406,2.7710643493131504,2.2593056225097894,0.804737854124365,0.16666666666666666,0.0,0.0,0.8211142625940433,0.5312491450019151,0.3463830436641438,0.2824132028137237,0.20118446353109126,0.16666666666666666,0.0,0.0,6.568914100752346,3.718744015013406,2.7710643493131504,2.2593056225097894,0.804737854124365,0.16666666666666666,0.0,0.0,0.8211142625940433,0.5312491450019151,0.3463830436641438,0.2824132028137237,0.20118446353109126,0.16666666666666666,0.0,0.0,12.876450234072873,24.99053168244719,23.52941176470589,23.84,15.18699041916167,200.51160119760482,0.49524808592587977,0.9611742954787381,0.9049773755656112,0.916923076923077,0.5841150161216027,7.711984661446339,3.0786000000000016,38.91,17.675869817881818,25.647730671582757,35.351739635763636,4.4189674544704545,17.675869880002175,4.440892098500626E-16,5.551115123125783E-17,-28.280404966845772,29.187248377901284,3.6484060472376605,2.6989855316050777,52,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.176574074074075,0.0,2.6567592592592595,0.0,0.0,0.0,1.833333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.260740740740741,0.0,1.3283796296296297,0.0,0.0,0.0,0.9166666666666665,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3275462962962963,0.0,1.3283796296296297,0.0,0.0,0.0,0.9166666666666665,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.666666666666666,1.7083333333333333,0.2,2.3275462962962963,0.2,0.9166666666666665,6.02400462962963,0.41666666666666674,0.32754629629629634,2.3531481481481484,0.41666666666666674,0.32754629629629634,2.3531481481481484,4.0,0.5,0.0,0.0,0.42308,0.7,0.42308,0.42308,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.5,0.25,0.0,3.5,0.4375,3.5,0.4375,0.0,0.0,-3.5,-0.4375,0.0,0.0,9.0653,1.13316,9.0653,0.0,0.0,3.71873,0.46484,3.71873,0.0,0.0,0.19527,0.02441,0.19527,0.02441,0.0,7.0,0,0,0,0,0,0,1.0,0.8904916402194915,1.352030101757953,2.353533948577482,2.8150724101159432,2.8150724101159432,2.3765770471820127,23.15278264570678,35.15278264570678,61.19188266301453,73.19188266301452,73.19188266301452,61.79100322673233,0.1894485821789581,0.2876390684343565,0.5007050594637231,0.5988955457191215,0.5988955457191215,0.5056073877534781,3.809948077921601,3.3484096163831394,2.3469057695636106,1.8853673080251494,1.8853673080251494,2.32386267095908,0.19175693730143042,0.2911438353183673,0.5068059501411161,0.6061928481580529,0.6061928481580529,0.5117680113382885,6.648700044059478,12.187161582521016,14.887606070220802,15.352756084990032,15.35275608499003,10.09081172978287,31.725216152945546,23.41346490856623,22.07229717741683,21.752514113792387,21.75251411379239,21.47599693053801,8.0,3.9375,2.8125,8,0,6,2.34,1.2358000000000005,1.6688179349970051,3.6144080144393795,4.298279727294167,0.0,0.33333333333333337,2.8284271247461903,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.121,0.10400000000000001,0.049000000000000044,0.010000000000000009,3.31,8.0,8.0,4.0,1.0,0.0,0.0,0.0,0.0,0.0,36.0,2.0794415416798357,2.1972245773362196,2.1972245773362196,1.6094379124341003,0.6931471805599453,0.0,0.0,0.0,0.0,0.0,3.6109179126442243,1.0,0.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.42857142857142855,7.0,1.0,0,3.0,5.0,0.6666666666666666,2.0,1.333333333333334,0.375,0.08000000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.2857142857142857,0.16666666666666674,0.046875,0.020000000000000004,0.0,0.0,0.0,0.0,0.0,0.0,0.5192559523809525,17.675869817881818,25.647730671582757,35.351739635763636,4.4189674544704545,17.675869880002175,4.440892098500626E-16,5.551115123125783E-17,-28.280404966845772,29.187248377901284,3.6484060472376605,2.6989855316050777,0.0,146.92433570773346,4.0,3.4339872044851463,4.143134726391533,4.875197323201151,5.60947179518496,6.3473892096560105,7.085901464365611,7.8252452914317745,8.564649132572534,9.30428598481871,72.18926213210743,2.70805020110221,0.0,3.8501476017100584,0.0,5.209486152841421,0.0,6.642486801367256,0.0,8.103191752285786,8.371242135931933,114.14085057599999,4.3900327144615385,14.491605750444002,1.8114507188055002,0.0,0.0,0.0,68.0,8.0,4.770000000000001,30.0,1.2277999999999998,2.116942008833103,2.891585598164679,3.540350991914451,4.2211916929939886,5.42067165336634,7.058444873210634,0.0,0.0,0.0,71.22212779891996,74.49919381477592,80.64635164412314,63.038104207416204,33.482567271082324,17.83799085050087,7.171831731653891,0.0,0.0,0.0,272.54988247666296,326.3003668583458,381.17054581371013,380.9895487058903,291.396221980987,261.49431099827757,219.40289651868932,0.0,0.0,0.0,8.919363222559998,15.03016951866816,20.366798154946103,24.807726969125465,29.03266459055409,36.86235502641358,47.421907776650215,0.0,0.0,0.0,2.0816483842615985,2.6952546391418095,3.274776270606172,3.536013851374124,3.088492414627272,3.1537727315037207,3.1382756787947113,0.0,0.0,0.0,176.77647004622915,330.1832550810772,463.00029396480437,575.1636383998025,727.6283360665024,967.0302532911713,1305.2310528967084,0.0,0.0,0.0,2.496728888888888,3.4033820693921455,4.613872086014375,5.71733422403368,5.76548115292781,6.5324032236609195,7.058444873210634,0.0,0.0,0.0,0.43219890000000005,0.5684119465902402,0.6957869934932902,0.7603991229774485,0.6795679670726247,0.7080510413772474,0.722784755016769,0.0,0.0,0.0,386.3836950668451,170.7411404836125,9.288901912490614,130.1659683903441,-57.519730203098504,-7.8130371539061985,256.217726676501,228.260870686711,17.101939066396813,0.748008802253083,0.3305415772432562,0.017982592129324782,0.25199119774691725,-0.11135372699331099,-0.015125432667238068,199.58636765212404,88.19627865510668,4.798179156783867,67.23718716561135,-29.71179727855885,-4.035821712428762,0.06758779576555898,0.14693461186451237,0.9853239365327978,8.373062457271638,516.5496634571891,0.0,1.0,0.0,434.5709840230496,20.84636620668095,7.574493114672902,608.937633495227,24.676661716999465,8.475999811250393,758.5650935774815,27.542060445389367,9.120058373266508,1.6840273795957659,1.5262909708454888,549.2896211981408,455.6079474312803,134.94000236538997,1.2056190509736238,4.0706211024865455,3.376374236289007,4.2184694899208,4.466158665423345,7.636289769507168,0.7098115722190376,5.020209961846434,6.639704814045579,2.9331803324971037,28.201915373172188,8.625102626173057,7.286399049902852,9.679626432303973,15.963866854930119,9.21775168924782,3.7044840173087517,3.6321123050697577,0.07393792378346839,1.5448121141540434,1.2676776947548,3.597159703075308E-6,7.995820946993893E-33,3.428011782949732E-81,2.8346370330024104E-151,4.5209375932365845E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4213114346551431,6.6393271019905375,0.18277858189528418,8.839515582866316,2.0400396883827563,0.190002846006218,0.8102032830730993,0.8290603780419074,2.1407427449512673,0.06323593540874059,0.028036494347365045,0.008212693955987846,0.12788021924852108,0.008928357656186419,2.5335089911548482E-8,5.631522071025826E-35,2.414376727967612E-83,1.9964580398341465E-153,3.1841333124917024E-245,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3600446690923509,6.63935305016685,0.6317963521455385,11.490359530610052,2.4928797584213505,0.8909861138067999,2.2199143542175084,2.932381447955255,2.972162497667955,0.3673207321947157,0.2722247879700861,0.012653829507796366,0.41397604847677755,0.09304037057739807,2.640111703353308E-7,5.868480190642837E-34,2.5159666999664363E-82,2.0804632052311433E-152,3.3181124095851594E-244,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.738668689405455,6.639663595287866,2.72504006731384,26.556158667435536,7.906653250409155,6.587506990305369,8.994882664297982,14.688505192649782,8.567590591738286,3.326205067009412,3.237603876174148,0.06673929064982688,1.4569612054252172,1.12947800333732,3.2050045338226384E-6,7.124132510669613E-33,3.0542967822525127E-81,2.525610562896957E-151,4.028074002681864E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0044556054483493,6.639386050539442,0.9734062271664534,13.696503682429025,3.068389153581294,1.5941499903011698,3.306621035927242,4.669013864677691,3.7249626194266017,0.7064645409508137,0.5857831054611238,0.018367329303147772,0.6113012809731717,0.20209611756506735,5.734675408907019E-7,1.2747123159293762E-33,5.465015872472587E-82,4.519044087044184E-152,7.207383541790543E-244,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.062630570604627,6.639877974629759,3.7489775419880296,34.818166384481465,11.643215539121194,10.174351436665763,12.375886817591892,21.08201556515435,11.871292516190962,5.281485258629435,5.290215195563903,0.10419617536770147,1.8713418037266687,1.8487887794562339,5.2461193602085865E-6,1.1661153391361632E-32,4.999433015493015E-81,4.134051708987146E-151,6.593362594909712E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1218279675511553,5.56120771825002,1.37681066058527,16.691343634859386,4.670712670130917,3.1096396641060564,5.139406056915127,7.6807758055030435,5.414712886423104,1.3522978879073526,1.2541156937458784,0.03340116541134255,1.0508022926322322,0.4343737966560177,1.2325782206849363E-6,2.7397934952221797E-33,1.1746191475187664E-81,9.712974009573996E-152,1.5491136547913586E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.668059509439539,1.5718470471196682,0.5902416089697565,0.6834492307207539,0.2301336675319306,0.4898651804602423,0.4561561047804299,0.4472671792416815,6.830148165528963,11.020528041455865,22.181559584752396,0.5251738460811308,1.3932884644823538,3.810735525880861,1.001383038799426,0.1806580456551976,0.7632497552548826,0.20056636155650856,0.3254259635453257,0.18308966388934486,0.042367796122556194,4.9927766103354845,4.68535385632374,10.367522638549877,0.6448746328823239,0.5508834235572267,4.163911406879112,1.23664257895505,0.3495131955196631,0.724150044782388,0.2150657618340884,0.3890389785130605,0.28060199707566114,0.15781976754966634,5.750067181353826,7.036835021908687,14.586640064747703,0.586225067173582,0.8274607431383879,4.648069590909392,1.5585685401616765,0.5807026839960295,0.6848145271549094,0.22962874307148945,0.48564238011746097,0.4483791562531536,0.43302995271242345,6.787340815067098,10.848546458178603,21.842692072924635,0.5272217907323641,1.367051489083038,4.315818379230121,1.3377169949222958,0.4220836460137334,0.7103503963802023,0.22017789306441946,0.4181768656900962,0.32899088451288216,0.22970995229223243,6.075619020166151,8.159608416484,16.672061350028933,0.5655255945703035,0.9768777024952108,4.730262571224953,1.6131597942644227,0.6199210536184885,0.6793091029008862,0.2316645463496469,0.5031243831901371,0.48078744969884346,0.49301784611873817,6.963343419107865,11.563090472575201,23.256846503598368,0.5189636543513294,1.4769296790077187,4.662997142178293,1.563792495557363,0.5812205417312624,0.6849280508190155,0.22969890677804644,0.48886247054140586,0.45165325398180983,0.4334214427829823,6.808010179466919,10.911097984235173,21.957345069000233,0.5273920762285235,1.373937167306198 +UMLCN0429,L,"2,4-Dimethylhexane",CCC(C)CC(C)C,Alkanes,,C8H18,Kubic (2016),Unknown,PubChem,,29,0,0.5319999999999996,0.28302399999999955,36.4788,26.082273999999977,0,0,26,8,18,0,8,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1172.4021199999981,1227.7764309999995,1483.1221519999979,1322.7772379999972,1077.763516999996,629.7301940000001,178.81516800000003,18.289152,0.0,3947.6426137513863,5029.877406914642,6806.459661661139,7324.378232884173,6375.17005604826,4638.363184336329,2402.6029626669233,559.5073997567447,0.0,181.25648000000004,180.9009880000001,339.44105599999995,442.565592,498.2180359999996,374.81952799999993,307.1208960000001,120.93235199999997,0.0,30.314232287281975,39.56609758000002,57.487932727886054,66.15786616182906,61.12578115880912,46.089887586074084,28.034757580016965,8.003032287282004,0.0,4342.872585156482,3643.766351462201,7584.388217594888,10156.448546713631,12196.78175397961,9042.633905345876,7939.753089355018,3328.517736436482,0.0,42.05555555555556,49.666666666666664,75.69444444444446,98.66666666666666,100.33333333333334,81.0,57.0,18.0,0.0,45.09238923076916,49.11105723999998,30.89837816666662,20.99646409523805,14.968937736111055,11.66167025925926,3.9736704000000005,1.016064,0.0,151.83240822120717,201.19509627658567,141.80124295127374,116.25997195054242,88.54402855622584,85.89561452474683,53.39117694815385,31.08374443093026,0.0,6.971403076923078,7.236039520000004,7.071688666666666,7.024850666666667,6.919694944444439,6.941102370370369,6.824908800000002,6.718463999999998,0.0,1.1659320110493068,1.5826439032000008,1.1976652651642927,1.0501248597115724,0.8489691827612378,0.8535164367791497,0.6229946128892659,0.4446129048490002,0.0,167.033560967557,145.75065405848804,158.00808786656017,161.21346899545446,169.39974658305016,167.45618343233104,176.43895754122263,184.917652024249,0.0,1.6175213675213675,1.9866666666666666,1.5769675925925928,1.566137566137566,1.3935185185185186,1.5,1.2666666666666666,1.0,0.0,0.03601973878510757,-0.006995104356441951,-0.0021537717033575576,-0.016225517380681752,0.008513474583630182,-0.01208890552647174,0.001384959731983037,0.009554995258785965,0.0,670.519434461538,-58.02572028994014,-45.84748269822431,-339.55791873372743,89.54586464497004,-256.4593563431956,68.77122404733662,206.31367214201137,0.0,1246.859520586465,-107.9013046661365,-85.2553518349721,-631.4224495277607,166.51435905267925,-476.8971243268745,127.88302775245793,383.64908325737366,0.0,0.13135015384615364,-0.011366840236684102,-0.008981207100590007,-0.06651706508875616,0.017541420118341977,-0.050238627218935406,0.013471810650885381,0.04041543195266116,0.0,5.57404219300985,-0.4823690359335298,-0.38113109012032054,-2.8227521362036954,0.7443966603912627,-2.131952035360607,0.5716966351804821,1.715089905541481,0.0,30.27828565910215,-2.6202362589608956,-2.070310130536999,-15.333234404288927,4.0435744737049495,-11.580797292690706,3.1054651958054724,9.31639558741613,0.0,3.487179487179488,-1.7526298487836935,0.7437541091387252,-1.533037475345166,1.3047337278106512,-0.8836291913214969,-0.4778106508875731,0.855029585798816,0.0,0.0013853745686579835,-2.7980417425767804E-4,-4.4870243819949117E-5,-2.5754789493145637E-4,1.182427025504192E-4,-2.2386862086058777E-4,3.077688293295638E-5,5.308330699325536E-4,0.0,25.789209017751464,-2.3210288115976057,-0.9551558895463398,-5.389808233868689,1.2436925645134727,-4.749247339688808,1.528249423274147,11.461870674556188,0.0,47.95613540717173,-4.31605218664546,-1.7761531632285854,-10.02257856393271,2.312699431287212,-8.831428228275454,2.8418450611657318,21.31383795874298,0.0,0.005051928994082832,-4.546736094673641E-4,-1.871084812622918E-4,-0.0010558264299802564,2.436308349769719E-4,-9.303449484988039E-4,2.9937357001967515E-4,0.002245301775147842,0.0,0.21438623819268654,-0.01929476143734119,-0.007940231044173345,-0.04480558946355072,0.010338842505434204,-0.03948059324741865,0.01270436967067738,0.09528277253008227,0.0,1.1645494484270058,-0.10480945035843582,-0.04313146105285415,-0.24338467308395123,0.05616075657923541,-0.21445920912390196,0.06901033768456605,0.5175775326342295,0.0,0.13412228796844186,-0.07010519395134775,0.015494877273723442,-0.024333928180082003,0.018121301775147935,-0.01636350354299068,-0.010618014464168291,0.047501643655489784,0.0,-0.20197005242324115,-0.03238852858647106,-0.18590488143646508,0.08535070963873782,-0.1615942907609817,0.02221556799816965,0.38316934780084294,0.0,-0.08999999999999898,-0.03703703703703662,-0.20899470899470887,0.048225308641975134,-0.18415637860082343,0.05925925925925873,0.44444444444444375,0.0,-0.0900000000000001,-0.0370370370370371,-0.20899470899470887,0.04822530864197521,-0.1841563786008231,0.059259259259259255,0.4444444444444442,0.0,-0.08999999999998202,-0.03703703703703005,-0.20899470899470543,0.04822530864197203,-0.18415637860082515,0.05925925925924971,0.44444444444442793,0.0,-0.08999999999999722,-0.03703703703703596,-0.20899470899470818,0.04822530864197466,-0.18415637860082323,0.05925925925925767,0.4444444444444415,0.0,-0.09000000000000455,-0.037037037037038825,-0.20899470899470923,0.04822530864197612,-0.18415637860082187,0.059259259259261614,0.4444444444444484,0.0,-0.522696078431372,0.11552798202614387,-0.18143090569561135,0.13511029411764705,-0.1220043572984746,-0.0791666666666665,0.35416666666666635,0.0,1.736836291956121,1.0970518051052207,1.2631062803005109,0.7791794503481662,1.1442071187430651,0.6990326545332599,1.867255134561063E-5,0.0,1.625000000000002,1.2225115740740757,1.2896825396825415,0.8150077160493838,1.0866769547325117,0.6018518518518525,0.0,0.0,1.6249999999999982,1.2225115740740724,1.289682539682538,0.8150077160493817,1.086676954732509,0.6018518518518514,0.0,0.0,1.6250000000000002,1.222511574074074,1.2896825396825395,0.8150077160493826,1.0866769547325101,0.601851851851852,0.0,0.0,1.6249999999999991,1.2225115740740735,1.2896825396825384,0.8150077160493824,1.0866769547325097,0.6018518518518516,0.0,0.0,1.6249999999999991,1.2225115740740733,1.2896825396825382,0.8150077160493822,1.0866769547325097,0.6018518518518513,0.0,0.0,2.1348039215686265,0.71774152369281,1.204335901027077,0.7052951388888885,1.2501702069716771,0.9558823529411761,0.0,0.0,36.79288235337044,18.396441176685226,27.756213180469317,36.792882353370445,4.599110294171306,18.39644120714779,1.4210854715202004E-14,0.005046719806885536,6.30839975860692E-4,-4.231213431944339,29.167580648752065,3.645947581094008,2.698446272586498,36.79288235337044,18.396441176685226,27.756213180469317,36.792882353370445,4.599110294171306,18.39644120714779,1.4210854715202004E-14,0.005046719806885536,6.30839975860692E-4,-4.231213431944339,29.167580648752065,3.645947581094008,2.698446272586498,36.79288235337044,18.396441176685226,27.756213180469317,36.792882353370445,4.599110294171306,18.39644120714779,1.4210854715202004E-14,0.005046719806885536,6.30839975860692E-4,-4.231213431944339,29.167580648752065,3.645947581094008,2.698446272586498,36.79288235337044,18.396441176685226,27.756213180469317,36.792882353370445,4.599110294171306,18.39644120714779,1.4210854715202004E-14,0.005046719806885536,6.30839975860692E-4,-4.231213431944339,29.167580648752065,3.645947581094008,2.698446272586498,36.79288235337044,18.396441176685226,27.756213180469317,36.792882353370445,4.599110294171306,18.39644120714779,1.4210854715202004E-14,0.005046719806885536,6.30839975860692E-4,-4.231213431944339,29.167580648752065,3.645947581094008,2.698446272586498,36.79288235337044,18.396441176685226,27.756213180469317,36.792882353370445,4.599110294171306,18.39644120714779,1.4210854715202004E-14,0.005046719806885536,6.30839975860692E-4,-4.231213431944339,29.167580648752065,3.645947581094008,2.698446272586498,47.89266769439426,23.817861624974903,36.90702939480287,47.69995936106092,5.962494920132615,23.817861625089265,-0.2569444444444571,0.0027799829695559497,3.474978711944937E-4,-4.708248381885894,27.87218817880166,3.4840235223502076,2.6621034817463616,0,11.889999999999999,12.110114161591722,-0.16461209162268642,0.0561176570115724,5.441366761202305,8.270757990388951,7.0,25.0,25.0,25.0,7.0,0.0,0.0,0.0,0.0,0.0,19.677725999999996,3.5533873347147336,3.1863613782290847,2.704652920203498,2.3335527931030473,2.211476356515861,1.7419617709603294,1.1152015863440974,0.88237990157543,1.9413541947217232,1.7118092990574054,1.4393575068007918,1.2496297225843562,1.1134007388263885,0.8370052747286053,0.4248992333522911,0.3401335074249935,3.5792235455609487,3.222241281764661,2.758533368307067,2.405454587841286,2.2809606368738278,1.8305070574281286,1.2262708585416728,1.0134713328568863,1.8839561113067855,1.6366921256668916,1.3413885412169795,1.1345406859483516,0.9987835060583299,0.7038776452451849,0.2724068790036963,0.1777059595847579,3.6933904683255374,3.3799976852687768,2.989220211984528,2.7042369872335206,2.572763367650374,2.1945864489790754,1.673112861028175,1.5239929689414358,1.716289813042657,1.41136458631125,1.0337918907781152,0.7603185604308974,0.6279789524242242,0.2620238281628605,0.245900539532498,0.38591350662705615,3.5982874406201533,3.248695133644609,2.7979452556350286,2.457539916041692,2.3314944975360774,1.8944765727347666,1.305958273860023,1.1064004635742728,1.8475068181048628,1.588430577242275,1.277297140099978,1.0582626705327114,0.9229378862011005,0.6149516029415583,0.16967359279844477,0.06751930165385207,3.749315809173648,3.4563816677187504,3.0969937411378092,2.8389820851496492,2.7056121224467833,2.35608162259618,1.8661695652984949,1.7377424681763887,1.6643773700992417,1.3400974692204497,0.9318892760840136,0.6313372621875603,0.5011738246510283,0.10646570881543035,0.43353935517057346,0.5956810578861733,3.5683619120381875,3.296195696574463,2.922472864639523,2.634654398051788,2.4214791442865646,1.980031229581089,1.372769735537081,1.2037993805671405,1.8649032248933792,1.5262652407213682,1.1419561035712635,0.8785568370761798,0.8052628113486041,0.49649308911483,0.0634432409596775,0.060043015677757945,0,0,0,0,0,4,2,2,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696923425058676,0.0,0.0,0.0,0.696923425058676,0.0,0.0,0.0,0.6910440616569954,0.9023689270621824,0.6666666666666666,0.6910440616569954,0.9023689270621824,0.6666666666666666,6.568914100752346,3.663902460147014,3.14296911649927,1.5706968729118902,0.9714045207910317,0.3333333333333333,0.0,0.0,0.8211142625940433,0.5234146371638592,0.39287113956240877,0.2617828121519817,0.19428090415820634,0.16666666666666666,0.0,0.0,6.568914100752346,3.663902460147014,3.14296911649927,1.5706968729118902,0.9714045207910317,0.3333333333333333,0.0,0.0,0.8211142625940433,0.5234146371638592,0.39287113956240877,0.2617828121519817,0.19428090415820634,0.16666666666666666,0.0,0.0,12.876450234072873,24.99053168244719,23.52941176470589,23.84,15.18699041916167,200.51160119760482,0.49524808592587977,0.9611742954787381,0.9049773755656112,0.916923076923077,0.5841150161216027,7.711984661446339,3.0786000000000016,38.91,18.396441176685226,27.756213180469317,36.792882353370445,4.599110294171306,18.39644120714779,0.005046719806885536,6.30839975860692E-4,-4.231213431944339,29.167580648752065,3.645947581094008,2.698446272586498,54,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.144212962962964,0.0,2.7169444444444446,0.0,0.0,0.0,1.805509259259259,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.256990740740741,0.0,1.3315277777777779,0.0,0.0,0.0,0.8795833333333332,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3194444444444446,0.0,1.3854166666666667,0.0,0.0,0.0,0.9259259259259258,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.666666666666666,1.7083333333333333,0.2,2.3194444444444446,0.2,0.8795833333333332,6.0272086574074075,0.45375000000000004,0.3194444444444445,2.288425925925926,0.45375000000000004,0.3194444444444445,2.288425925925926,4.0,0.5,0.0,0.0,0.42308,0.7,0.42308,0.42308,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.5,0.25,0.0,3.5,0.4375,3.5,0.4375,0.0,0.0,-3.5,-0.4375,0.0,0.0,8.9638,1.12047,8.9638,0.0,0.0,3.66389,0.45799,3.66389,0.0,0.0,0.25011,0.03126,0.25011,0.03126,0.0,7.0,0,0,0,0,0,0,1.0,0.8904916402194915,1.3520301017579528,2.4783459677250406,2.9297051020907943,2.8252517372886516,2.694448682047029,23.15278264570678,35.15278264570677,64.43699516085105,76.17233265436064,73.45654516950495,70.05566573322275,0.1894485821789581,0.28763906843435644,0.527258323973393,0.6232831985449693,0.6010611574029437,0.573233323607566,3.809948077921601,3.34840961638314,2.222093750416052,1.7707346160502984,1.875187980852441,2.0059910360940636,0.19175693730143042,0.29114383531836724,0.5336827555474465,0.6308776547692609,0.6083848469531753,0.5802179421447023,6.648700044059478,12.187161582521016,16.385350299991508,15.149137492796395,15.889418697687553,12.94782648220875,31.725216152945546,23.41346490856623,20.303325959853925,21.73364995042643,21.219161912181217,16.67704054181684,8.0,3.9375,5.0,8,0,6,2.34,1.2358000000000005,1.6397691447073577,3.486742171486943,4.085857990775222,0.0,0.4999999999999999,3.0393427426063697,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.121,0.10400000000000001,0.049000000000000044,0.010000000000000009,3.31,8.0,6.0,5.0,2.0,0.0,0.0,0.0,0.0,0.0,36.0,2.0794415416798357,2.1972245773362196,1.9459101490553132,1.791759469228055,1.0986122886681098,0.0,0.0,0.0,0.0,0.0,3.6109179126442243,1.0,0.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.42857142857142855,7.0,1.0,0,3.0,5.0,0.6666666666666666,2.5,0.666666666666667,0.5,0.16000000000000003,0.0,0.0,0.0,0.0,0.0,0.0,0.35714285714285715,0.08333333333333337,0.08333333333333333,0.03200000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.5558095238095239,18.396441176685226,27.756213180469317,36.792882353370445,4.599110294171306,18.39644120714779,0.005046719806885536,6.30839975860692E-4,-4.231213431944339,29.167580648752065,3.645947581094008,2.698446272586498,0.0,146.92433570773346,4.0,3.4339872044851463,4.07753744390572,4.8283137373023015,5.493061443340548,6.248042874508429,6.918695219020472,7.67368812926773,8.346404870435956,9.100860271357362,71.12059119362365,2.70805020110221,0.0,3.8501476017100584,0.0,5.14166355650266,0.0,6.4967749901858625,0.0,7.884199933676039,8.176110342237342,114.14085057599999,4.3900327144615385,14.496634225424746,1.8120792781780932,0.0,0.0,0.0,71.0,6.0,4.770000000000001,30.0,1.2277999999999998,2.1169420088331035,2.891979166733842,3.4947123074740207,4.279870038946606,5.192078801372284,6.368471560361216,0.0,0.0,0.0,71.22212779891997,74.49919381477592,67.46777056832092,62.02052369706549,59.75691025615677,23.199125967957738,6.470774687506857,0.0,0.0,0.0,272.54988247666296,326.30036685834574,355.486384423518,338.63696601650355,404.6633866029195,296.576415979094,197.95594239791566,0.0,0.0,0.0,8.919363222559998,15.03016951866816,20.359368307287262,24.254461544475653,29.8269273056847,35.527869680649374,42.78634691331065,0.0,0.0,0.0,2.0816483842615985,2.6952546391418095,3.1545096612910024,3.149615745911778,3.9061912547822564,3.38949136961246,2.831504639900443,0.0,0.0,0.0,176.77647004622915,330.18325508107733,463.0874652970535,586.7295869490102,707.537359769777,908.7245648906418,1177.6428079252012,0.0,0.0,0.0,2.489959999999999,3.4634787130757836,4.61741670505652,5.011250481570002,6.693614990510749,6.80812810509034,6.368471560361216,0.0,0.0,0.0,0.43219890000000016,0.5684119465902403,0.6734222920701495,0.679336468598452,0.8456374088039434,0.754037253452126,0.6521314877809885,0.0,0.0,0.0,388.7507542316311,172.12080076906824,9.346623055096678,138.6256556329154,-61.3770098062824,-8.276979589251441,250.1250985987157,233.49781057535063,17.623602644348118,0.7371409622426595,0.32637182389951114,0.017722869055704065,0.2628590377573402,-0.11638178852566937,-0.01569463372731695,205.0179770988123,90.7724499726021,4.929188511154087,73.10790058280588,-32.368787079858286,-4.365083780301554,0.06692933392628471,0.14666537516238332,0.6736793498576831,8.357720015527585,527.3764098645466,0.0,1.0,0.0,434.5709840230496,20.84636620668095,7.574493114672902,608.9376334952269,24.676661716999465,8.475999811250391,748.7931004072066,27.36408413243912,9.080726831882492,1.7973393312285617,1.7973393312285617,542.0062692271198,526.9427782599041,126.04348299989414,1.0285865782561041,4.300153060889114,4.180642788650538,4.263641753353986,4.466158665423345,7.636289769507168,0.7098115722190376,5.020209961846434,6.63971281967457,3.013538182652957,25.69200968066493,8.457113310954501,14.042068482737118,7.849651336570826,14.860899237263226,6.849924351218416,4.272270482823566,4.174760573970109,0.4107574754936578,1.9523005820885704,1.2676777684879954,3.597159703075308E-6,7.995820946993893E-33,3.428011782949732E-81,2.8346370330024104E-151,4.5209375932365845E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4213114346551431,6.6393271583748374,0.1833445518705947,8.704174269150606,1.5471367537580725,1.532895558746753,0.5695395587179144,0.6875567002735415,2.113211810017282,0.11014784474371414,0.07912034676488582,0.010595825178718104,0.13075019384659475,0.008928358175495343,2.5335089911548482E-8,5.631522071025826E-35,2.414376727967612E-83,1.9964580398341465E-153,3.1841333124917024E-245,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3600446690923509,6.639353637734723,0.6376941715790662,11.00384553350318,2.023561827045304,3.1375615846238842,1.599667013317603,2.5078377924865554,2.743035391126564,0.5190187540921767,0.4334771554936392,0.037402440980364327,0.4438833965507513,0.09304037598899745,2.640111703353308E-7,5.868480190642837E-34,2.5159666999664363E-82,2.0804632052311433E-152,3.3181124095851594E-244,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.738668689405455,6.6396707281591665,2.7966374671879843,24.238859367894893,7.703654094424045,12.940639161419023,7.242686299646606,13.613696159970939,6.440712463613527,3.86156076028785,3.753636359391423,0.36684694126852707,1.820026094118945,1.1294780690322694,3.2050045338226384E-6,7.124132510669613E-33,3.0542967822525127E-81,2.525610562896957E-151,4.028074002681864E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0044556054483493,6.639387326815379,0.9862170715366336,12.92927385649287,2.627951026171976,4.5208099596787426,2.4421829380401703,4.075940308657558,3.2754638157349096,0.9305508625711072,0.8197440521783861,0.07209783851089337,0.6762640374079089,0.20209612931978432,5.734675408907019E-7,1.2747123159293762E-33,5.465015872472587E-82,4.519044087044184E-152,7.207383541790543E-244,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.062630570604627,6.639889650087262,3.8661719042821603,31.541491547076006,11.622018238300848,18.50124443382376,10.280093053812593,19.90964868415305,8.50043273992479,5.969965045135487,5.927461371924398,0.5953803374874687,2.4656254378020344,1.8487888869891698,5.2461193602085865E-6,1.1661153391361632E-32,4.999433015493015E-81,4.134051708987146E-151,6.593362594909712E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1218279675511056,5.52509958053905,1.3761016105848718,16.03685809823023,4.000028482489654,7.893983157474768,3.6890717346788158,6.799999797955153,4.388511245416321,1.723789654290133,1.650701333346534,0.14886196476094019,1.1904295130547708,0.43437382192093177,1.2325782206849363E-6,2.7397934952221797E-33,1.1746191475187664E-81,9.712974009573996E-152,1.5491136547913586E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.954600449248628,1.1114016957645334,0.9638867884583794,0.7047907152072057,0.15809662233393132,0.5254956770708817,0.4601104776105173,0.4839443791263838,7.029888933471541,11.353490667469021,23.69107168862416,0.5571860728108087,1.4695505338077828,4.130389097238291,0.6189616389598402,0.4860652248862754,0.7889323652485422,0.11822587614062957,0.36524772177989956,0.14333367192994106,0.12432624100650423,5.235415961084407,4.86504663882241,11.343113819658576,0.6833985478728134,0.6329076347163449,4.469912605076476,0.8219908872755375,0.6831219712823183,0.7480993398742162,0.13757111032888528,0.4277068810688814,0.2524050254789512,0.2446442540427184,5.975025463634331,7.289242973822214,15.774213921210203,0.6221490098113243,0.924756160590551,4.935381500167649,1.099934270742177,0.9527652695385611,0.7062570499112261,0.15740147608127913,0.5214246814963429,0.4507212319945353,0.472971255417918,6.988081040448387,11.178834508442565,23.3390925666366,0.5593855748668392,1.4451171689087963,4.615952375265598,0.9092408878963955,0.7677831202024143,0.7335086124696015,0.14448503101012575,0.4561024902302954,0.30858814523452466,0.3084785254848808,6.292976383364408,8.439162759485843,17.95453460018086,0.6002629187044023,1.073169160949701,5.0144048135391,1.1470812835874884,0.9984882738396167,0.7003383746557224,0.16020745664103475,0.5382658577768262,0.4899327326110457,0.5188638206926193,7.159974370966205,11.904101527348434,24.8073104653388,0.5505075619835835,1.5470624110804911,4.950534441674823,1.1020666037240414,0.955725475444553,0.7063789660700699,0.15725103567112525,0.5246416835609744,0.4523333926968323,0.47549661197078463,7.008326520843418,11.240443690545495,23.46303511208175,0.559568449105105,1.4524716882285913 +UMLCN0430,L,"3,3-Diethylpentane",CCC(CC)(CC)CC,Alkanes,,C9H20,Kubic (2016),Unknown,PubChem,,17,0,0.8578000000000001,0.7358208400000003,44.0225,29.175859999999968,0,0,29,9,20,0,9,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1318.698368999998,1396.2547279999994,1797.8966979999975,2191.410155999998,1616.3955419999963,509.01177600000176,54.867456000000004,0.0,0.0,4433.327004362573,5682.867541405008,7945.134186762693,9958.73087667297,10171.308259069438,6368.547788365632,1678.5221992702322,0.0,0.0,202.2339240000001,202.6767680000001,382.19427999999994,507.9640799999999,633.5441520000013,739.9641600000009,362.79705599999994,0.0,0.0,33.992358096979984,44.58208620000002,66.18204715758404,84.22510487637588,94.21676831637585,72.09972430912806,24.009096861845986,0.0,0.0,4839.502245294981,4076.805802978001,8514.057329249186,11471.96763932638,14386.142647895971,18826.48266341031,9985.553209309446,0.0,0.0,46.5625,55.5,83.5,111.0,150.0,144.0,54.0,0.0,0.0,45.472357551724066,49.86624028571426,33.29438329629625,30.43625216666664,17.959950466666626,4.713072000000016,1.016064,0.0,0.0,152.87334497801973,202.95955505017884,147.13211456967952,138.31570662045792,113.01453621188264,58.968035077459554,31.083744430930228,0.0,0.0,6.9735835862068996,7.238456000000004,7.077671851851851,7.055056666666665,7.039379466666682,6.851520000000009,6.718463999999999,0.0,0.0,1.1721502792062064,1.592217364285715,1.2255934658811858,1.1697931232829983,1.046852981293065,0.667590039899334,0.44461290484899973,0.0,0.0,166.87938776879244,145.60020724921432,157.6677283194294,159.33288387953306,159.84602942106633,174.3192839204658,184.917652024249,0.0,0.0,1.605603448275862,1.9821428571428572,1.5462962962962963,1.5416666666666667,1.6666666666666667,1.3333333333333333,1.0,0.0,0.0,0.03988349254700768,-0.009553413490201633,-0.0020332213835374943,0.013194176858288331,-0.04084368931486829,-0.009257735827204362,0.028552136884019617,0.0,0.0,751.4441937931031,-57.58193055885779,36.85243555766991,38.0040741688471,-929.372359219973,-93.28272750535166,629.6584106611161,0.0,0.0,1397.3425661744839,-107.07605871068867,68.52867757484044,70.67019874905417,-1728.2075875905166,-173.46321511131896,1170.876702001379,0.0,0.0,0.14720275862068952,-0.011279904875145684,0.007219139120097405,0.00744473721760055,-0.18205766468489581,-0.018273445897745474,0.12334575980974476,0.0,0.0,6.246771423200696,-0.4786798025440948,0.30635507362824804,0.31592866967913297,-7.725892013061969,-0.7754612801214834,5.234363640819853,0.0,0.0,33.932561514511015,-2.6001962846371285,1.6641256221673753,1.7161295478600942,-41.967168034039204,-4.212317981111271,28.433146372504563,0.0,0.0,3.7155172413793136,-1.587395957193816,-0.8107907253269918,2.232164090368609,-1.457639714625444,-2.742271105826389,2.5081747919143864,0.0,0.0,0.0013752928464485408,-3.411933389357726E-4,-3.7652247843286934E-5,1.8325245636511571E-4,-4.538187701652032E-4,-8.571977617781817E-5,5.287432756299929E-4,0.0,0.0,25.911868751486313,-2.056497519959207,0.6824525103272205,0.5278343634562097,-10.326359546888588,-0.8637289583828858,11.660340938168817,0.0,0.0,48.18422641980979,-3.8241449539531667,1.2690495847192675,0.9815305381813079,-19.202306528783517,-1.6061408806603608,21.682901888914426,0.0,0.0,0.00507595719381688,-4.0285374554091725E-4,1.336877614832853E-4,1.0339912802222987E-4,-0.0020228629409432867,-1.6919857312727292E-4,0.0022841807372174956,0.0,0.0,0.21540591114485158,-0.017095707233717672,0.005673242104226816,0.004387898189987958,-0.08584324458957744,-0.0071801970381618835,0.09693266001518247,0.0,0.0,1.1700883280865868,-0.0928641530227546,0.03081714115124769,0.023835132609167975,-0.46630186704488,-0.039002944269548805,0.5265397476389734,0.0,0.0,0.12812128418549357,-0.056692712756922004,-0.015014643061610959,0.03100227903289735,-0.0161959968291716,-0.025391399128022123,0.0464476813317479,0.0,0.0,-0.24808777259101306,-0.02737762211191416,0.13324613506013205,-0.32997973583379914,-0.06232838075117955,0.384458682378362,0.0,0.0,-0.07936507936507843,0.02633744855967113,0.020370370370370643,-0.3985185185185173,-0.033333333333333666,0.44999999999999907,0.0,0.0,-0.07936507936507954,0.026337448559670726,0.020370370370370317,-0.39851851851851977,-0.03333333333333405,0.45000000000000046,0.0,0.0,-0.07936507936505868,0.02633744855967913,0.0203703703703771,-0.39851851851851205,-0.03333333333334192,0.44999999999998025,0.0,0.0,-0.07936507936507609,0.026337448559672044,0.020370370370371486,-0.39851851851851644,-0.033333333333334096,0.44999999999999657,0.0,0.0,-0.07936507936508758,0.02633744855966738,0.020370370370367603,-0.39851851851852127,-0.033333333333329836,0.45000000000000795,0.0,0.0,-0.4424925422605231,-0.1171908567500214,0.24197602474864638,-0.126411446249033,-0.1981825212683674,0.36252900232018515,0.0,0.0,1.7848753694745407,1.0545534819223372,0.8741552642491293,1.5380799113423484,0.9047336165199743,0.0,0.0,0.0,1.611111111111113,1.169547325102882,1.127777777777779,1.5037037037037055,0.7518518518518529,0.0,0.0,0.0,1.6111111111111123,1.1695473251028814,1.1277777777777782,1.5037037037037044,0.7518518518518522,0.0,0.0,0.0,1.6111111111111103,1.1695473251028798,1.1277777777777769,1.5037037037037047,0.7518518518518513,0.0,0.0,0.0,1.6111111111111098,1.1695473251028798,1.1277777777777764,1.5037037037037,0.7518518518518509,0.0,0.0,0.0,1.611111111111111,1.1695473251028803,1.1277777777777767,1.5037037037037018,0.7518518518518513,0.0,0.0,0.0,2.0522041763341052,0.9594397181404134,0.5102474864655835,1.3815931941221953,1.2559938128383594,0.0,0.0,0.0,40.78460969082653,20.39230484541326,25.62837282291305,40.78460969082652,4.531623298980724,20.39230484990246,-7.105427357601002E-15,2.7755575615628914E-16,3.0839528461809905E-17,-32.23845885402265,4000025.2670232584,444447.25189147313,13.681630112238027,40.78460969082653,20.39230484541326,25.62837282291305,40.78460969082652,4.531623298980724,20.39230484990246,-7.105427357601002E-15,2.7755575615628914E-16,3.0839528461809905E-17,-32.23845885402265,4000025.2670232584,444447.25189147313,13.681630112238027,40.78460969082653,20.39230484541326,25.62837282291305,40.78460969082652,4.531623298980724,20.39230484990246,-7.105427357601002E-15,2.7755575615628914E-16,3.0839528461809905E-17,-32.23845885402265,4000025.2670232584,444447.25189147313,13.681630112238027,40.78460969082653,20.39230484541326,25.62837282291305,40.78460969082652,4.531623298980724,20.39230484990246,-7.105427357601002E-15,2.7755575615628914E-16,3.0839528461809905E-17,-32.23845885402265,4000025.2670232584,444447.25189147313,13.681630112238027,40.78460969082653,20.39230484541326,25.62837282291305,40.78460969082652,4.531623298980724,20.39230484990246,-7.105427357601002E-15,2.7755575615628914E-16,3.0839528461809905E-17,-32.23845885402265,4000025.2670232584,444447.25189147313,13.681630112238027,40.78460969082653,20.39230484541326,25.62837282291305,40.78460969082652,4.531623298980724,20.39230484990246,-7.105427357601002E-15,2.7755575615628914E-16,3.0839528461809905E-17,-32.23845885402265,4000025.2670232584,444447.25189147313,13.681630112238027,53.61524148635493,26.67613926169598,33.853520692084864,53.41071473738373,5.934523859709303,26.676139261703494,-0.2629629629629697,1.8041124150158794E-16,2.0045693500176437E-17,-32.62616347850586,4000024.2108198325,444447.1345355369,13.681629874593726,0,11.889999999999997,12.110134441590946,-0.16775025575435093,0.05287018370093589,5.906707007692746,10.157002791109718,8.0,28.0,28.0,28.0,8.0,0.0,0.0,0.0,0.0,0.0,21.864139999999995,3.6372820069487664,2.9025640775777077,2.9025640775777046,2.9025640775777033,2.1493644096977764,1.598026914855201,1.5980269148552,1.5980269148551995,1.9748920745216887,1.5630263350622533,1.563026335062253,1.563026335062252,1.0489309942822662,0.769718516333271,0.7697185163332708,0.7697185163332702,3.658753114490644,2.9503089512514684,2.9503089512514684,2.950308951251468,2.217766727892013,1.6953097213903001,1.6953097213902997,1.6953097213902995,1.9229673440070063,1.4734536838206154,1.4734536838206151,1.4734536838206143,0.9336202239795024,0.6303371850352759,0.6303371850352759,0.6303371850352756,3.755381836232743,3.1555984077028656,3.1555984077028607,3.1555984077028576,2.5070779338856517,2.090117344341694,2.0901173443416905,2.0901173443416905,1.7751090762205703,1.1954927464150704,1.1954927464150675,1.1954927464150666,0.5621297540971983,0.16238615202424134,0.16238615202424006,0.16238615202423926,3.6746891075726302,2.985267979126106,2.9852679791261023,2.985267979126097,2.2676444409826235,1.7652768165580897,1.7652768165580894,1.7652768165580852,1.8903275876769534,1.41513318105183,1.415133181051829,1.4151331810518284,0.8574226888756454,0.5368571236143952,0.5368571236143951,0.5368571236143945,3.803761995230574,3.252217517920578,3.2522175179205757,3.2522175179205712,2.639666545288736,2.262776160355088,2.2627761603550876,2.2627761603550858,1.7305534337746797,1.104407162995437,1.1044071629954368,1.1044071629954306,0.4358311572365433,0.004703130643946968,0.004703130643947457,0.004703130643947581,3.621293872339713,3.09107141502371,3.091071415023707,3.091071415023706,2.376484409381935,1.8618512040848223,1.861851204084822,1.8618512040848214,1.9293947846239334,1.2980599313099082,1.2980599313099077,1.298059931309907,0.7243065044784701,0.4089610484543592,0.4089610484543588,0.4089610484543585,0,0,0,0,0,4,4,0,1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7071067811865475,0.125,0.0,0.0,0.7071067811865475,0.125,0.0,0.0,2.121320343559643,2.6213203435596433,0.0,2.121320343559643,2.6213203435596433,0.0,7.32842712474619,4.242640687119285,2.914213562373095,3.0,1.5,0.0,0.0,0.0,0.8142696805273544,0.5303300858899106,0.29142135623730947,0.25,0.25,0.0,0.0,0.0,7.32842712474619,4.242640687119285,2.914213562373095,3.0,1.5,0.0,0.0,0.0,0.8142696805273544,0.5303300858899106,0.29142135623730947,0.25,0.25,0.0,0.0,0.0,14.418278037858748,27.878368536052434,26.254901960784323,26.599999999999994,16.985544910179637,223.53985628742518,0.4971820013054741,0.9613230529673253,0.9053414469235974,0.9172413793103447,0.5857084451786082,7.708270906462937,3.6128000000000027,43.59700000000001,20.39230484541326,25.62837282291305,40.78460969082652,4.531623298980724,20.39230484990246,2.7755575615628914E-16,3.0839528461809905E-17,-32.23845885402265,4000025.2670232584,444447.25189147313,13.681630112238027,48,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.208333333333334,0.0,5.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6666666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3020833333333335,0.0,1.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6666666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3020833333333335,0.0,1.34375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6666666666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.25,1.6944444444444444,0.2,2.3020833333333335,-0.0,0.6666666666666667,6.732083333333333,0.5833333333333333,0.3020833333333333,2.4166666666666665,0.5833333333333333,0.3020833333333333,2.4166666666666665,4.5,0.5,0.0,0.0,0.42414,0.7,0.42414,0.42414,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.44444,0.0,0.11111,4.0,0.44444,4.0,0.44444,0.0,0.0,-4.0,-0.44444,0.0,0.0,11.07107,1.23012,11.07107,0.0,0.0,4.24264,0.4714,4.24264,0.0,0.0,0.17136,0.01904,0.17136,0.01904,0.0,8.0,0,0,0,0,0,0,1.0,0.8935711016541907,1.3256167917569774,1.9952378913808873,1.9952378913808868,1.827721305342005,1.4335170301519953,25.91356194797153,38.44288696095234,57.86189885004573,57.86189885004572,53.00391785491814,41.571993874407866,0.18393878085369603,0.2728740176395371,0.410713399945792,0.41071339994579187,0.3762306413251022,0.2950849399348773,3.9644098934733822,3.5323642033705953,2.8627431037466855,2.862743103746686,3.030259689785568,3.4244639649755775,0.18587583320595183,0.27574764361055293,0.41503860724452235,0.4150386072445223,0.38019271199550186,0.298192468289492,6.65913786016461,11.84368614139805,12.518547047554392,12.518547047554392,10.50834801508781,5.77789671280769,35.683323207831734,27.320737832115285,30.34847185923958,30.34847185923958,29.34337234300629,19.88246973844605,9.0,3.92,2.0,9,0,5,2.45,1.3767000000000005,1.5,7.019061402413294,0.0,1.9999999999999996,3.000000000000001,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.136,0.111,0.04800000000000004,0.019000000000000017,3.853,10.0,12.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,45.0,2.1972245773362196,2.3978952727983707,2.5649493574615367,1.9459101490553132,0.0,0.0,0.0,0.0,0.0,0.0,3.828641396489095,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.5,8.0,1.0,1,2.0,4.0,1.0,3.0,1.333333333333334,0.75,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.375,0.1333333333333334,0.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5708333333333334,20.39230484541326,25.62837282291305,40.78460969082652,4.531623298980724,20.39230484990246,2.7755575615628914E-16,3.0839528461809905E-17,-32.23845885402265,4000025.2670232584,444447.25189147313,13.681630112238027,0.0,164.2203203336001,4.169925001442312,3.6109179126442243,4.394449154672439,5.198497031265826,5.993961427306569,6.803505257608338,7.601402334583733,8.412054873292933,9.210440366976517,10.021315031649332,78.24654338999991,2.833213344056216,0.0,4.04305126783455,0.0,5.54907608489522,0.0,7.136483208590247,0.0,8.741456115998364,8.968268810776454,128.15650064,4.419189677241379,16.428300858899107,1.8253667620999008,0.0,0.0,0.0,88.0,12.0,5.436999999999999,36.0,1.230142857142857,2.1213495633551056,2.909612768340821,3.5450810132129296,3.9776812781229496,4.356754030563355,0.0,0.0,0.0,0.0,72.4006367551428,80.54932465325457,96.22601130415156,66.26178140397532,19.12908082074173,4.426740927310326,0.0,0.0,0.0,0.0,275.5059646900563,340.3496337306493,424.83494376197996,409.3363688750291,237.43711210125056,135.4242288344567,0.0,0.0,0.0,0.0,8.939719116571428,15.077783934625147,20.58019479048245,24.9800552540362,27.266910453633496,29.270695111194787,0.0,0.0,0.0,0.0,2.0988376407357126,2.7719043036632325,3.5417861633289482,3.7681418849458246,2.678498865010715,1.9370690652413618,0.0,0.0,0.0,0.0,176.90608381034693,329.9031206750563,459.7773136458605,564.8010960456014,692.2915066074763,805.6407257789585,0.0,0.0,0.0,0.0,2.491660714285714,3.38317722423028,4.599946291525596,5.978423548098873,5.3380157315122,4.356754030563355,0.0,0.0,0.0,0.0,0.4355678571428573,0.583208226004543,0.7485204955708201,0.8083260049503876,0.5944965836661504,0.4461316127296876,0.0,0.0,0.0,0.0,375.18993864271687,183.95437026839292,9.104550461628504,141.73907212739329,-69.49419232814255,-8.440468947641286,233.45086651532358,253.44856259653545,17.54501940926979,0.7258055377541426,0.3558600241730319,0.017612767463108196,0.27419446224585714,-0.13443662646174862,-0.01632810070974126,193.946563833478,95.09135064967893,4.706406263636174,73.26903834228672,-35.92356409445451,-4.363123263540044,0.054651513032811634,0.13211279721624647,1.0554599763077939,6.28201120122052,516.9290107701103,0.0,1.0,0.0,496.6525531691995,22.285702887034986,7.919253115729209,690.393274804952,26.275335864741137,8.838234441616702,974.8414170833512,31.22245052976065,9.915424776650374,1.3122696445216162,1.080871462839019,425.31913161070867,386.0842575767169,259.75263007776186,1.1016225688150354,1.6374006741852098,1.4863536028918563,4.139130055631603,3.2201944036352645,6.424246450394837,0.9949871483356816,6.577483002525126,7.947321095629163,4.894232852786993,32.64673408751595,12.5509315002142,15.768261175890188,21.519948652864844,23.160979711509317,8.30291522436581,6.907280966763771,0.8568476763593822,1.1267105536669035,8.026179104848394E-15,1.1027773721920957E-50,2.922420801982873E-108,1.4937350086590368E-187,1.4725846652083677E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.47516317883569276,7.590335798191056,0.3137014621909705,12.653037437876028,2.1711822344322553,2.49968919121014,1.2389930399871594,1.0548081981570916,1.0470844838380229,0.08581834331539594,0.006035916609116013,0.007935514555285779,5.652903569827095E-17,7.766951201255298E-53,2.058284866093577E-110,1.0520497801654618E-189,1.037153420336769E-290,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5845163286041686,7.614198103476485,1.0766073892884473,15.594396435209207,3.0468650703260876,4.051276129546201,4.039637656111801,3.990190405072255,1.6305305314131466,0.6024517446675376,0.06289051643934009,0.08269417997995968,5.890761360915981E-16,8.093761986793297E-52,2.1448915250668306E-109,1.0963169843968191E-188,1.0807938289399416E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.155698931659275,7.908130010467494,4.552940442310832,31.019517635958476,11.47574244558328,14.546727125592527,19.804622965916604,21.249779986942258,7.541168936794775,6.179856595994671,0.7634365889747237,1.0038788185359144,7.15118108276359E-15,9.825547847239097E-51,2.6038243206397363E-108,1.330891000193545E-187,1.3120464249601051E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.386511028187116,7.645129725176134,1.6514119659661486,17.95197167124637,4.017079759071949,5.459873195476633,6.359808040164921,6.473469943889203,2.297571008426048,1.2171393767782102,0.1366039765557578,0.1796228090608724,1.2795520838484675E-15,1.7580732577434633E-51,4.658991007066404E-109,2.3813469872513914E-188,2.3476286192921382E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.193892073073501,8.112112565927251,6.227004659078862,39.12940643568432,17.03117372526773,20.75571502663754,28.40892391953802,30.87071806262712,11.483872503271817,9.95238256111903,1.2496283233704433,1.6432014524931788,1.1705427911484995E-14,1.6082971565902106E-50,4.26207608598847E-108,2.1784721265636447E-187,2.147626338383388E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.845122237927621,6.5670090093350915,2.6095163960788037,19.97748249817839,6.170132562194598,7.9803712390431505,10.81473787373393,11.006753983525185,4.141765757437709,2.574153152917002,0.29843929009638825,0.3924259278560351,2.7954657672355596E-15,3.840901570440623E-51,1.017860080454126E-108,5.202581486756548E-188,5.128916221741586E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.8886823587476966,1.7113094979310843,1.3431965256934886,0.4860492673117417,0.28794468353163694,0.48810027456690225,0.44974777282723266,0.5110144523097682,5.943188382372269,11.12212263714018,23.70530842552686,0.2290739009676125,1.448862499703903,2.152455776676228,1.1670325790445106,0.863164120504632,0.5146150173630272,0.2790173426260117,0.27038522501600293,0.2087077208959464,0.21193646032161104,4.182652476225371,5.377249263424773,11.728157940158768,0.27192252604454087,0.6910294062335604,2.454682878358276,1.3904991831457185,1.0602699344035733,0.5003989194891979,0.28345995115348377,0.3520003366591662,0.29657539935672955,0.31916834010218476,4.905451995907567,7.4901654693596,16.014567424169535,0.2505983792337968,0.9677440761180804,2.8714153250529075,1.6985474714569238,1.3319422810167072,0.48652346781834466,0.2877964740444076,0.4822595127808684,0.44304552536767144,0.5025308903374632,5.901905077526538,10.964161911216072,23.362262819191827,0.22978520172751693,1.4278359284860032,2.585131027798911,1.4869356999404568,1.1453228940493798,0.4954836067835424,0.28499610106378653,0.3905649613038305,0.33926857924534043,0.3721463890885294,5.217389621788747,8.507754863634606,18.12767820381004,0.24322541017531363,1.1019799296377002,2.9424437855206316,1.7510436522287813,1.3782359008230665,0.4846142720021279,0.28839318832344374,0.5065117648036827,0.4709382269497218,0.5378792249143007,6.071723338572479,11.621080399444235,24.793954053503107,0.22692140800319183,1.5153292166677053,2.882807731510182,1.7026835919671077,1.3330914963246485,0.4870773662007577,0.28768433995219267,0.4861104707329184,0.4453958082525764,0.5035934099875712,5.918582819801938,11.02138891303634,23.483463904586667,0.23061604930113655,1.435099688973066 +UMLCN0431,L,2-Methyl-3-ethylpentane,CCC(CC)C(C)C,Alkanes,,C8H18,Kubic (2016),Unknown,PubChem,,12,0,-0.2065999999999999,0.042683559999999954,34.691199999999995,26.082273999999977,0,0,26,8,18,0,8,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1172.4021199999981,1227.7764309999995,1483.1221519999979,1564.909255999997,1210.8558049999965,405.88732800000105,45.72288,0.0,0.0,3947.6426137513863,5029.877406914641,6806.459661661138,7774.633059762619,7379.004519323322,4747.61575721463,1398.7684993918604,0.0,0.0,181.25648000000004,180.9009880000001,339.441056,442.6130239999998,503.00805199999985,495.7044479999996,302.3308800000001,0.0,0.0,30.314232287281975,39.56609758000002,57.48793272788606,68.17071473152703,69.15295802062103,52.080071303658116,20.007580718205,0.0,0.0,4342.872585156482,3643.766351462201,7584.388217594888,10167.38237209053,11815.240502243423,12360.21781640546,8321.294341091205,0.0,0.0,42.05555555555556,49.77777777777778,74.91666666666669,96.66666666666667,112.0,102.0,45.0,0.0,0.0,45.09238923076916,49.11105723999998,30.89837816666662,24.83982946031741,16.817441736111064,5.637324000000015,1.016064,0.0,0.0,151.83240822120717,201.19509627658564,141.8012429512737,123.40687396448602,102.48617387949058,65.9391077390921,31.08374443093023,0.0,0.0,6.971403076923078,7.236039520000004,7.071688666666667,7.025603555555553,6.986222944444442,6.8847839999999945,6.718464000000002,0.0,0.0,1.1659320110493068,1.5826439032000008,1.197665265164293,1.0820748370083655,0.9604577502864031,0.7233343236619183,0.44461290484899996,0.0,0.0,167.033560967557,145.75065405848804,158.00808786656017,161.38702177921476,164.10056253115866,171.66969189452027,184.917652024249,0.0,0.0,1.6175213675213675,1.991111111111111,1.5607638888888893,1.5343915343915344,1.5555555555555556,1.4166666666666667,1.0,0.0,0.0,0.03606508009316065,-0.007592148103568614,-0.004692775648114539,7.360175579461692E-4,-0.012230799445080976,-0.018098211554766264,0.023845377147003882,0.0,0.0,670.519434461538,-58.02572028994015,-45.84748269822431,-97.4259007337274,-357.4670916627217,-292.2777022011843,515.7841803550281,0.0,0.0,1246.859520586465,-107.9013046661365,-85.2553518349721,-181.16762264931572,-664.7253213382952,-543.5028679479432,959.1227081434338,0.0,0.0,0.13135015384615364,-0.011366840236684102,-0.008981207100590007,-0.019085065088756174,-0.07002534911242558,-0.05725519526627418,0.10103857988165284,0.0,0.0,5.57404219300985,-0.4823690359335298,-0.3811310901203203,-0.809903566505698,-2.9716314682819527,-2.4297106995171203,4.287724763853703,0.0,0.0,30.27828565910215,-2.6202362589608956,-2.0703101305369973,-4.399409027390986,-16.14194929902984,-13.19822708217255,23.290988968540347,0.0,0.0,3.487179487179488,-1.6415187376725824,-0.03402366863905237,0.12080867850098712,0.7919132149901396,-3.1183431952662803,2.1375739644970406,0.0,0.0,0.0013871184651215636,-3.036859241427445E-4,-9.776615933571957E-5,1.1682818380097924E-5,-1.6987221451501356E-4,-2.5136404937175366E-4,5.298972699334196E-4,0.0,0.0,25.789209017751464,-2.321028811597606,-0.9551558895463398,-1.546442868789324,-4.964820717537801,-4.059412530572004,11.46187067455618,0.0,0.0,47.95613540717173,-4.31605218664546,-1.7761531632285854,-2.8756765499891386,-9.232296129698545,-7.548650943721433,21.313837958742972,0.0,0.0,0.005051928994082832,-4.546736094673641E-4,-1.871084812622918E-4,-3.0293754109136787E-4,-9.725742932281331E-4,-7.952110453649192E-4,0.0022453017751478408,0.0,0.0,0.21438623819268654,-0.01929476143734119,-0.00794023104417334,-0.01285561216675711,-0.04127265928169379,-0.033745981937737785,0.09528277253008229,0.0,0.0,1.1645494484270058,-0.10480945035843582,-0.04313146105285411,-0.06983188932366644,-0.22419374026430333,-0.18330870947461875,0.5175775326342299,0.0,0.0,0.13412228796844186,-0.0656607495069033,-7.088264299802576E-4,0.00191759807144424,0.010998794652640828,-0.043310322156476115,0.04750164365548979,0.0,0.0,-0.21893294032109237,-0.07048147782183233,0.008422365265733861,-0.1224641000652575,-0.18121310882392785,0.38201298826123026,0.0,0.0,-0.08999999999999901,-0.03703703703703662,-0.05996472663139309,-0.19251543209876543,-0.15740740740740797,0.4444444444444434,0.0,0.0,-0.0900000000000001,-0.0370370370370371,-0.0599647266313934,-0.19251543209876493,-0.15740740740740652,0.4444444444444441,0.0,0.0,-0.08999999999998202,-0.03703703703703005,-0.059964726631389555,-0.19251543209876448,-0.15740740740741313,0.44444444444442766,0.0,0.0,-0.08999999999999722,-0.03703703703703593,-0.059964726631392795,-0.19251543209876493,-0.15740740740740783,0.44444444444444153,0.0,0.0,-0.09000000000000455,-0.03703703703703879,-0.059964726631394315,-0.19251543209876487,-0.15740740740740522,0.4444444444444488,0.0,0.0,-0.4895588235294112,-0.005284926470588096,0.014297385620915138,0.08200571895424849,-0.3229166666666674,0.3541666666666664,0.0,0.0,1.7552675962697744,1.115791253541762,1.0170898969328959,1.1765498924809137,1.0940467171129102,1.578946052009432E-5,0.0,0.0,1.625000000000002,1.2225115740740757,1.1463844797178147,1.191165123456792,0.9403935185185198,0.0,0.0,0.0,1.6249999999999982,1.2225115740740724,1.1463844797178115,1.1911651234567886,0.9403935185185174,0.0,0.0,0.0,1.6250000000000002,1.222511574074074,1.1463844797178129,1.19116512345679,0.9403935185185184,0.0,0.0,0.0,1.6249999999999991,1.2225115740740735,1.1463844797178124,1.1911651234567888,0.940393518518518,0.0,0.0,0.0,1.6249999999999991,1.2225115740740733,1.146384479717812,1.1911651234567886,0.9403935185185177,0.0,0.0,0.0,2.1029411764705874,0.8339077818627445,0.8913982259570491,0.9542228349673199,1.4935661764705879,0.0,0.0,0.0,34.83747069060095,17.41873534530047,23.949872881629695,34.83747069060094,4.354683836325117,17.418735425742252,-1.4210854715202004E-14,0.04500083803128674,0.005625104753910842,-2.480859333174191,36.322017201072036,4.5402521501340045,2.8739392734943325,34.83747069060095,17.41873534530047,23.949872881629695,34.83747069060094,4.354683836325117,17.418735425742252,-1.4210854715202004E-14,0.04500083803128674,0.005625104753910842,-2.480859333174191,36.322017201072036,4.5402521501340045,2.8739392734943325,34.83747069060095,17.41873534530047,23.949872881629695,34.83747069060094,4.354683836325117,17.418735425742252,-1.4210854715202004E-14,0.04500083803128674,0.005625104753910842,-2.480859333174191,36.322017201072036,4.5402521501340045,2.8739392734943325,34.83747069060095,17.41873534530047,23.949872881629695,34.83747069060094,4.354683836325117,17.418735425742252,-1.4210854715202004E-14,0.04500083803128674,0.005625104753910842,-2.480859333174191,36.322017201072036,4.5402521501340045,2.8739392734943325,34.83747069060095,17.41873534530047,23.949872881629695,34.83747069060094,4.354683836325117,17.418735425742252,-1.4210854715202004E-14,0.04500083803128674,0.005625104753910842,-2.480859333174191,36.322017201072036,4.5402521501340045,2.8739392734943325,34.83747069060095,17.41873534530047,23.949872881629695,34.83747069060094,4.354683836325117,17.418735425742252,-1.4210854715202004E-14,0.04500083803128674,0.005625104753910842,-2.480859333174191,36.322017201072036,4.5402521501340045,2.8739392734943325,45.89430528236058,22.818680418958053,32.35301007307737,45.70159694902722,5.7126996186284025,22.818680419274347,-0.25694444444446773,0.02042540743519916,0.002553175929399895,-3.112780552453807,29.740379943495647,3.717547492936956,2.7140045731637024,0,11.889999999999999,12.110114161591722,-0.16330088443277663,0.05761531719292787,5.5975625,8.899504326587081,7.0,25.0,25.0,25.0,7.0,0.0,0.0,0.0,0.0,0.0,19.677725999999996,3.5776956752209443,3.033823397598085,2.9025640775777033,2.333552793103044,2.1583593068951887,1.598026914855198,1.329697604285005,0.799536030954661,1.9501077237414641,1.6284534271136055,1.5630263350622513,1.2496297225843556,1.0579813246664154,0.7697185163332708,0.5555761479451421,0.2873780388938108,3.6021546338257933,3.075526295499116,2.950308951251465,2.4054545878412856,2.2269156087906485,1.6953097213903012,1.4322784029280793,0.93367161367946,1.8943487110727313,1.5456128019558484,1.4734536838206136,1.1345406859483511,0.9428398118618608,0.6303371850352768,0.4110063814949302,0.12216933887303921,3.7108286199157785,3.257090893910524,3.1555984077028594,2.7042369872335206,2.5165443320528613,2.0901173443416923,1.847433766188039,1.455685556887142,1.732743249398876,1.2928133396473138,1.1954927464150655,0.7603185604308982,0.5716052044767861,0.16238615202424053,0.07685731349283925,0.4523134450889117,3.6202337607130075,3.106183011664675,2.9852679791261028,2.4575399160416938,2.2768846880209237,1.7652768165580852,1.5060107355163919,1.0287539484431925,1.8590509194099893,1.492022153584356,1.4151331810518286,1.058262670532712,0.8667335552360028,0.5368571236143959,0.3138656873133561,0.010007601269573585,3.764417200525057,3.3438532874356577,3.252217517920575,2.838982085149649,2.649131607778485,2.262776160355089,2.0281475885260405,1.6738865035183121,1.6831191884130972,1.2114637160013135,1.1044071629954375,0.6313372621875641,0.4452637306752176,0.004703130643947367,0.2520464136017907,0.6665881485147354,3.580498840800994,3.1853219903565857,3.0834748248427486,2.6346543980517865,2.366470502920612,1.8557914726111338,1.571661199619567,1.12811686319999,1.8869929197389457,1.3980074250756018,1.3050358347440745,0.8785568370761792,0.7485057106875612,0.414718267587855,0.2114473286731059,0.12020106044819659,0,0,0,0,0,4,2,2,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5,0.0,0.16666666666666666,0.0,0.5,0.0,0.16666666666666666,0.0,1.1380711874576983,1.304737854124365,0.3333333333333333,1.1380711874576983,1.304737854124365,0.3333333333333333,6.568914100752346,3.7187440150134057,2.8205931721698634,1.991563831562721,1.2314841761768764,0.0,0.0,0.0,0.8211142625940433,0.5312491450019151,0.3525741465212329,0.24894547894534014,0.2462968352353753,0.0,0.0,0.0,6.568914100752346,3.7187440150134057,2.8205931721698634,1.991563831562721,1.2314841761768764,0.0,0.0,0.0,0.8211142625940433,0.5312491450019151,0.3525741465212329,0.24894547894534014,0.2462968352353753,0.0,0.0,0.0,12.876450234072873,24.99053168244719,23.52941176470589,23.84,15.18699041916167,200.51160119760482,0.49524808592587977,0.9611742954787381,0.9049773755656112,0.916923076923077,0.5841150161216027,7.711984661446339,3.0786000000000016,38.91,17.41873534530047,23.949872881629695,34.83747069060094,4.354683836325117,17.418735425742252,0.04500083803128674,0.005625104753910842,-2.480859333174191,36.322017201072036,4.5402521501340045,2.8739392734943325,43,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,2.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.150462962962964,0.0,2.6828703703703702,0.0,0.0,0.0,1.833333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.271990740740741,0.0,1.3414351851851851,0.0,0.0,0.0,0.8796296296296295,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.303240740740741,0.0,1.3414351851851851,0.0,0.0,0.0,0.9537037037037036,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.666666666666666,1.7083333333333333,0.2,2.303240740740741,0.2,0.8796296296296295,6.025310185185186,0.4537037037037038,0.30324074074074076,2.300925925925926,0.4537037037037038,0.30324074074074076,2.300925925925926,4.0,0.5,0.0,0.0,0.42308,0.7,0.42308,0.42308,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.5,0.25,0.0,3.5,0.4375,3.5,0.4375,0.0,0.0,-3.5,-0.4375,0.0,0.0,9.08078,1.1351,9.08078,0.0,0.0,3.71873,0.46484,3.71873,0.0,0.0,0.19527,0.02441,0.19527,0.02441,0.0,7.0,0,0,0,0,0,0,1.0,0.8904916402194915,1.3520301017579528,2.430457025500559,2.8629613523404247,2.628835903646044,2.1419109258580407,23.15278264570678,35.15278264570677,63.19188266301454,74.43699516085104,68.34973349479714,55.689684072309056,0.1894485821789581,0.28763906843435644,0.5170701405062896,0.6090837291862249,0.559274463940085,0.4556830965391283,3.809948077921601,3.34840961638314,2.2699826926405335,1.837478365800668,2.071603814495049,2.558528792283052,0.19175693730143042,0.29114383531836724,0.5233704331439388,0.6165051705615604,0.5660889993610181,0.4612354126241678,6.648700044059478,12.187161582521016,15.810682993297723,15.08187147106843,14.023381276807303,8.416499268985337,31.725216152945546,23.41346490856623,20.82594038442863,22.26853035004118,19.671542617638938,14.532420820515629,8.0,3.9375,2.8125,8,0,5,2.34,1.2358000000000005,1.6836930724640597,3.509530701206647,4.298279727294167,0.0,0.4999999999999999,2.8284271247461903,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.121,0.10400000000000001,0.049000000000000044,0.010000000000000009,3.31,8.0,8.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,36.0,2.0794415416798357,2.1972245773362196,2.1972245773362196,1.791759469228055,0.0,0.0,0.0,0.0,0.0,0.0,3.6109179126442243,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.42857142857142855,7.0,1.0,0,2.0,4.0,1.0,2.0,1.1111111111111116,0.625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2857142857142857,0.13888888888888895,0.078125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5027281746031746,17.41873534530047,23.949872881629695,34.83747069060094,4.354683836325117,17.418735425742252,0.04500083803128674,0.005625104753910842,-2.480859333174191,36.322017201072036,4.5402521501340045,2.8739392734943325,0.0,146.92433570773346,4.0,3.4339872044851463,4.143134726391533,4.890349128221754,5.616771097666572,6.368187186350492,7.099201743553092,7.851271997109883,8.583542571957771,9.335650562941629,72.32209621867786,2.70805020110221,0.0,3.8501476017100584,0.0,5.209486152841421,0.0,6.652863029353347,0.0,8.12415060330663,8.389132521348719,114.14085057599999,4.3900327144615385,14.501137576846993,1.8126421971058742,0.0,0.0,0.0,67.0,8.0,4.77,30.0,1.2277999999999998,2.1169420088331035,2.8906908772785602,3.528596141570198,4.132140446954035,4.332715699742649,0.0,0.0,0.0,0.0,71.22212779891996,74.49919381477592,79.84960210586709,63.02420954746986,22.980886778899993,4.402316444743314,0.0,0.0,0.0,0.0,272.54988247666296,326.30036685834585,379.4586063922019,377.84914089885575,270.1064129294939,134.67702750267966,0.0,0.0,0.0,0.0,8.91936322256,15.030169518668165,20.359344739100294,24.71129599997731,28.437617711984828,29.109194450955798,0.0,0.0,0.0,0.0,2.081648384261599,2.6952546391418095,3.2658938707402103,3.5054121546078227,2.9700213229400094,1.9263813131474465,0.0,0.0,0.0,0.0,176.77647004622915,330.18325508107733,462.9035540035455,574.409936512597,710.2615071681973,801.1956140850118,0.0,0.0,0.0,0.0,2.4967288888888883,3.4163349596058503,4.547864569621697,5.629259083283416,5.825615064609364,4.332715699742649,0.0,0.0,0.0,0.0,0.43219890000000016,0.5684119465902404,0.6940889414415985,0.753886930520305,0.6561532891574666,0.44367008765364724,0.0,0.0,0.0,0.0,371.5176786300582,164.1672059408799,8.997885567147483,144.03482368392747,-63.64648554429397,-8.448576583734804,227.48285494613071,227.81369148517388,17.446462150882287,0.7206204546822151,0.3184296559594575,0.01745289864128624,0.27937954531778464,-0.12345296600952485,-0.016387422320354457,191.53686887160967,84.63681382071607,4.638882419677781,74.25751377060256,-32.81310488585168,-4.355684798735823,0.068116254398456,0.14692328800031973,0.8739852192706649,8.122908046482134,515.5525023139858,0.0,1.0,0.0,434.57098402304956,20.84636620668095,7.574493114672902,608.9376334952268,24.67666171699946,8.475999811250391,789.581069138936,28.099485211279866,9.24270111002666,1.310755991583857,1.0797292025623169,412.8023231134498,322.641315691629,201.54501908927628,1.2794465650766005,2.048189158823097,1.6008399371492876,4.060115389645087,3.2202184609824864,6.424246450394837,0.9949722443472994,5.020210115848833,6.998742131874245,4.443943250856471,25.76328326349765,8.97357702771251,8.762590662677498,12.214314524698159,19.668107520658822,4.647496780233936,5.892806661097081,0.8568476751646006,1.1267105536669035,8.026179104848394E-15,1.1027773721920957E-50,2.922420801982873E-108,1.4937350086590368E-187,1.4725846652083677E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.42131143573979407,6.641857986917071,0.27371761589561133,9.632431181966913,1.0722424901479646,2.1001699375170397,0.7407333643856442,0.8868663755179244,1.020548013856845,0.07867331783180444,0.006035916600701068,0.007935514555285779,5.652903569827095E-17,7.766951201255298E-53,2.058284866093577E-110,1.0520497801654618E-189,1.037153420336769E-290,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3600446803952542,6.665709896461783,0.9489804545181059,11.888298353049878,1.638320707211523,2.8685803557071874,2.366599632708771,3.3655619850412304,1.3602111155553718,0.5279950702849109,0.06289051635164987,0.08269417997995968,5.890761360915981E-16,8.093761986793297E-52,2.1448915250668306E-109,1.0963169843968191E-188,1.0807938289399416E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.73866882661882,6.959560865884602,4.126392980343907,24.40898435161814,8.11955658936757,8.14545772312955,11.258564823343377,18.038994807997508,4.283712222537304,5.27597825377689,0.7634365879101946,1.0038788185359144,7.15118108276359E-15,9.825547847239097E-51,2.6038243206397363E-108,1.330891000193545E-187,1.3120464249601051E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0044556299997676,6.696631337888055,1.4647760980931586,13.744722968426412,2.337718175571324,3.5717080218276167,3.6953415335867814,5.469423331507275,1.7123477293511236,1.0554095306248374,0.13660397636528296,0.1796228090608724,1.2795520838484675E-15,1.7580732577434633E-51,4.658991007066404E-109,2.3813469872513914E-188,2.3476286192921382E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.062630795202654,7.163493128364272,5.690371493961403,31.19409336850641,12.556085418656455,11.285160079026568,16.040680024992998,26.244231591555913,6.155368459461395,8.472867128195043,1.2496283216279667,1.6432014524931788,1.1705427911484995E-14,1.6082971565902106E-50,4.26207608598847E-108,2.1784721265636447E-187,2.147626338383388E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1218280203205655,5.684237801943793,2.244697554725379,16.065558883435493,3.7294497329230754,4.6773584841019975,6.038531587176559,9.162306394308036,2.8186272320087244,2.18485430150311,0.2936063446097492,0.38607095711608364,2.75019581462979E-15,3.77870176313294E-51,1.0013767887817581E-108,5.118330547219545E-188,5.045858222248781E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0740252188044073,1.7810520367868692,0.9613599423006665,0.5285065606688798,0.3062101379573698,0.4574013460314822,0.45909369361015795,0.4122291898527162,5.816437197891943,10.142475667386298,21.22235746984965,0.2927598410033197,1.3287242294943564,2.339972776732812,1.2790963554907147,0.48785415067468696,0.569762962575117,0.3114488066570529,0.26561652481987474,0.24015312166114702,0.10750292275086927,4.106923282898213,4.758628548400312,10.325724014405715,0.35464444386267563,0.613272569231891,2.6424162209612043,1.4858213432423077,0.6832785187683217,0.5491857816526544,0.3088052326169489,0.3383391136397063,0.32206610992008705,0.20988491167329285,4.811516082971833,6.746894466826559,14.241070258668953,0.32377867247898157,0.8702901352330862,3.056914392375561,1.7693418954661482,0.9503524055369696,0.5291884139355826,0.30629422718111765,0.4523388504777203,0.4532114865083732,0.4029775502975538,5.776608693378678,9.995370978171819,20.912176106808744,0.2937826209033738,1.3085278872836472,2.772481673580121,1.5747582482667286,0.7671737415998634,0.542091793120951,0.3079059207747903,0.37232585672180857,0.3608707763246541,0.26399608593913804,5.114413663446713,7.701076700114186,16.164962007618495,0.3131376896814266,0.9971927189856007,3.127267816460731,1.8174930917688166,0.99560285136443,0.5264438244897108,0.305956531505916,0.4733348669108246,0.47763447442582846,0.4416559214258744,5.9403637595939776,10.606805712077037,22.205964665078163,0.2896657367345663,1.3926252627625275,3.067631536700705,1.771489601836077,0.9530961271407307,0.5296126502157177,0.3058396328351241,0.4554883246057085,0.45420606808785063,0.4052385122775531,5.792217265677513,10.046424985433976,21.018030965818788,0.29441897532357647,1.3149329049711123 +UMLCN0432,L,n-butane,CCCC,Alkanes,,C4H10,NREL (2014),IQT,PubChem,,20.6,0,-0.47340000000000027,0.22410756000000026,17.6206,13.707930000000001,0,0,14,4,10,0,4,0,0,0,0,0.0,0.0,0.0,0.0,0.0,587.2171240000002,553.8632429999999,466.15598599999987,281.5920250000005,84.835296,9.144576,0.0,0.0,0.0,2004.9050513066209,2417.9168689531757,2702.0163881333647,2068.2229763493997,1061.4246313942745,279.75369987837234,0.0,0.0,0.0,97.34670399999997,93.79786800000001,168.4755920000001,186.21226000000007,123.32735999999997,60.46617599999999,0.0,0.0,0.0,15.601729048490004,19.502143100000005,24.724323578791996,21.038149577583987,12.016620718188005,4.001516143641,0.0,0.0,0.0,2356.35394460249,1911.6085453990004,3876.6455963545927,4616.702265606985,3137.747110568388,1664.258868218241,0.0,0.0,0.0,22.5,26.25,37.0,37.0,24.0,9.0,0.0,0.0,0.0,41.9440802857143,42.60486484615384,19.423166083333328,10.429334259259278,4.713072,1.016064,0.0,0.0,0.0,143.20750366475863,185.99360530409044,112.58401617222353,76.6008509759037,58.96803507745969,31.08374443093026,0.0,0.0,0.0,6.953335999999998,7.215220615384616,7.019816333333337,6.896750370370373,6.851519999999998,6.718463999999999,0.0,0.0,0.0,1.114409217749286,1.5001648538461543,1.0301801491163332,0.7791907250957032,0.6675900398993336,0.444612904849,0.0,0.0,0.0,168.310996043035,147.04681118453848,161.52689984810803,170.9889728002587,174.319283920466,184.917652024249,0.0,0.0,0.0,1.6071428571428572,2.019230769230769,1.5416666666666667,1.3703703703703705,1.3333333333333333,1.0,0.0,0.0,0.0,0.02062438471906483,-0.004400557296427641,-0.008541260938520579,-3.2627410853919617E-4,-0.0017709314210118364,0.0047268314049668326,0.0,0.0,0.0,345.90288285714286,-61.768371938775644,-143.3026228979592,-27.178083653061094,-29.648818530612118,88.94645559183681,0.0,0.0,0.0,643.2211812549219,-114.86092522409297,-266.4773465198962,-50.53880709860118,-55.133244107564906,165.39973232269406,0.0,0.0,0.0,0.06775999999999992,-0.012099999999998895,-0.028071999999999438,-0.005324000000000443,-0.005808000000000545,0.01742399999999933,0.0,0.0,0.0,2.8754979567114285,-0.5134817779841854,-1.1912777249233069,-0.22593198231304013,-0.2464712534324074,0.7394137602972255,0.0,0.0,0.0,15.6197505384257,-2.7892411675759607,-6.471039508776331,-1.2272661137334677,-1.3388357604365146,4.0165072813094325,0.0,0.0,0.0,1.8571428571428577,-0.7244897959183667,-0.4693877551020404,0.31122448979591827,-0.45918367346938754,0.41326530612244855,0.0,0.0,0.0,0.0014731703370760593,-3.3850440741751086E-4,-3.5588587243835746E-4,-1.208422624219245E-5,-9.838507894510202E-5,5.252034894407592E-4,0.0,0.0,0.0,24.707348775510205,-4.751413226059665,-5.9709426207483,-1.0065956908541145,-1.6471565850340066,9.88293951020409,0.0,0.0,0.0,45.94437008963728,-8.835455786468689,-11.10322277166234,-1.8718076703185622,-3.062958005975828,18.377748035854896,0.0,0.0,0.0,0.0048399999999999945,-9.307692307691458E-4,-0.0011696666666666433,-1.971851851852016E-4,-3.22666666666697E-4,0.0019359999999999254,0.0,0.0,0.0,0.20539271119367347,-0.0394985983064758,-0.04963657187180445,-0.008367851196779264,-0.013692847412911522,0.0821570844774695,0.0,0.0,0.0,1.1156964670304073,-0.21455701289045853,-0.2696266461990138,-0.045454300508646954,-0.07437976446869526,0.44627858681215915,0.0,0.0,0.0,0.13265306122448983,-0.05572998430141282,-0.019557823129251684,0.01152683295540438,-0.02551020408163264,0.04591836734693873,0.0,0.0,0.0,-0.22977954340933351,-0.2415782231569486,-0.008202871004161786,-0.06678459134629075,0.3565123979370779,0.0,0.0,0.0,-0.1923076923076927,-0.24166666666666667,-0.04074074074074054,-0.06666666666666639,0.4000000000000003,0.0,0.0,0.0,-0.1923076923076919,-0.24166666666666659,-0.040740740740740876,-0.06666666666666686,0.39999999999999963,0.0,0.0,0.0,-0.19230769230767497,-0.24166666666666212,-0.04074074074074418,-0.06666666666667301,0.39999999999998503,0.0,0.0,0.0,-0.19230769230769296,-0.2416666666666668,-0.04074074074074061,-0.06666666666666646,0.4000000000000005,0.0,0.0,0.0,-0.19230769230768835,-0.2416666666666655,-0.040740740740741396,-0.06666666666666797,0.39999999999999664,0.0,0.0,0.0,-0.42011834319526575,-0.14743589743589727,0.08689458689458684,-0.19230769230769215,0.3461538461538457,0.0,0.0,0.0,1.785292157911658,1.2827877751428658,0.8256000721166087,0.8173940775872894,0.0,0.0,0.0,0.0,1.7500000000000004,1.327083333333334,0.8425925925925929,0.7583333333333334,0.0,0.0,0.0,0.0,1.75,1.327083333333333,0.8425925925925926,0.7583333333333333,0.0,0.0,0.0,0.0,1.75,1.327083333333333,0.8425925925925926,0.7583333333333334,0.0,0.0,0.0,0.0,1.7500000000000004,1.3270833333333336,0.8425925925925928,0.7583333333333334,0.0,0.0,0.0,0.0,1.7499999999999996,1.3270833333333332,0.8425925925925923,0.7583333333333331,0.0,0.0,0.0,0.0,2.0192307692307687,1.020833333333333,0.7129629629629627,1.1666666666666663,0.0,0.0,0.0,0.0,10.32455532033676,5.162277660168381,8.576491222541476,10.32455532033676,2.58113883008419,5.173116539955508,1.7763568394002505E-15,0.0,0.0,0.0,8.452346590056031,2.1130866475140078,0.8537776423127849,10.32455532033676,5.162277660168381,8.576491222541476,10.32455532033676,2.58113883008419,5.173116539955508,1.7763568394002505E-15,0.0,0.0,0.0,8.452346590056031,2.1130866475140078,0.8537776423127849,10.32455532033676,5.162277660168381,8.576491222541476,10.32455532033676,2.58113883008419,5.173116539955508,1.7763568394002505E-15,0.0,0.0,0.0,8.452346590056031,2.1130866475140078,0.8537776423127849,10.32455532033676,5.162277660168381,8.576491222541476,10.32455532033676,2.58113883008419,5.173116539955508,1.7763568394002505E-15,0.0,0.0,0.0,8.452346590056031,2.1130866475140078,0.8537776423127849,10.32455532033676,5.162277660168381,8.576491222541476,10.32455532033676,2.58113883008419,5.173116539955508,1.7763568394002505E-15,0.0,0.0,0.0,8.452346590056031,2.1130866475140078,0.8537776423127849,10.32455532033676,5.162277660168381,8.576491222541476,10.32455532033676,2.58113883008419,5.173116539955508,1.7763568394002505E-15,0.0,0.0,0.0,8.452346590056031,2.1130866475140078,0.8537776423127849,12.0,5.958333333333331,9.979211372772953,11.958333333333332,2.989583333333333,5.96288337199997,-0.08333333333333748,0.0,0.0,0.0,7.312569944910317,1.8281424862275792,0.7958379110512681,0,11.889999999999999,12.110036684901083,-0.17062107260978457,0.04961212451934552,4.7999038017231666,5.768507445756618,3.0,13.0,13.0,13.0,3.0,0.0,0.0,0.0,0.0,0.0,10.932069999999998,3.3286219767513976,2.6795878796285058,1.8731881276711422,1.261328549528226,0.0839230705186914,0.08392307051869127,0.08392307051869119,0.08392307051869116,1.832621367562727,1.439488452409505,0.9404489205566233,0.5944755109756518,0.083923070518691,0.08392307051869109,0.08392307051869116,0.08392307051869119,3.363954741349166,2.736305453697433,1.9597373887160319,1.3779063023001612,0.2709139018929377,0.2709139018929373,0.27091390189293724,0.27091390189293724,1.7617000053896577,1.3395446413807357,0.8106839468220602,0.44231968489859114,0.27091390189293685,0.2709139018929372,0.27091390189293724,0.27091390189293724,3.5172026739097695,2.977133531901593,2.314688573147117,1.838399162438944,0.9439184268026224,0.9439184268026221,0.9439184268026221,0.943918426802622,1.5473386308729233,1.0233196798967357,0.38035720986237326,0.07926528644508879,0.9439184268026216,0.9439184268026217,0.943918426802622,0.9439184268026221,3.38987916049036,2.777675631531622,2.022190793287526,1.4609491957304765,0.3992772455089822,0.3992772455089821,0.3992772455089821,0.39927724550898197,1.7160283879059202,1.2739794325541243,0.72404194833821,0.33953603020579315,0.39927724550898164,0.39927724550898186,0.39927724550898197,0.3992772455089821,3.5904360666969697,3.088638485660329,2.4719394867875737,2.034236485495671,1.2076448229620895,1.2076448229620882,1.207644822962088,1.2076448229620875,1.4787256355645395,0.9175698789252584,0.22885968966728693,0.27048397136488933,1.2076448229620869,1.2076448229620875,1.2076448229620875,1.207644822962088,3.39998138811674,2.8940770037976034,2.1169800986029492,1.5431595376999059,0.5714285714285716,0.5714285714285715,0.5714285714285715,0.5714285714285715,1.6905497832321874,1.146727989205775,0.6038296154081813,0.2273763546567738,0.571428571428571,0.5714285714285712,0.5714285714285715,0.5714285714285715,0,0,0,0,0,2,2,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.414213562373095,1.914213562373095,1.0,0.5,0.0,0.0,0.0,0.0,0.8535533905932737,0.6380711874576983,0.5,0.5,0.0,0.0,0.0,0.0,3.414213562373095,1.914213562373095,1.0,0.5,0.0,0.0,0.0,0.0,0.8535533905932737,0.6380711874576983,0.5,0.5,0.0,0.0,0.0,0.0,6.709139018929374,13.439184268026217,12.627450980392162,12.800000000000004,7.992772455089817,108.39858083832337,0.4792242156378124,0.9599417334304441,0.9019607843137258,0.9142857142857146,0.5709123182207012,7.742755774165955,1.8064,20.581999999999997,5.162277660168381,8.576491222541476,10.32455532033676,2.58113883008419,5.173116539955508,0.0,0.0,0.0,8.452346590056031,2.1130866475140078,0.8537776423127849,14,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.361111111111111,0.0,2.638888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1805555555555554,0.0,1.3194444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1805555555555554,0.0,1.3194444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,1.75,0.2,2.1805555555555554,0.2,1.3194444444444444,3.155944444444444,0.18055555555555555,0.18055555555555555,0.7222222222222222,0.18055555555555555,0.18055555555555555,0.7222222222222222,2.0,0.5,0.0,0.0,0.41429,0.7,0.41429,0.41429,0.7,-0.0,0.0,0.0,0.0,0.71429,0.0,0.0,0.5,0.0,0.0,1.5,0.375,1.5,0.375,0.0,0.0,-1.5,-0.375,0.0,0.0,2.95465,0.73866,2.95465,0.0,0.0,1.91421,0.47855,1.91421,0.0,0.0,-2.1E-4,-5.0E-5,-2.1E-4,-5.0E-5,0.0,3.0,0,0,0,0,0,0,1.0,0.863120568566631,1.1488348542809166,1.8423709931771086,1.8423709931771088,1.4413202900260225,0.5238824662870492,12.083687959932835,16.08368795993283,25.79319390447952,25.793193904479523,20.178484060364315,7.334354528018688,0.2266982160150638,0.30174094031140475,0.4838978847239801,0.48389788472398015,0.3785621040150078,0.1375974861844317,2.9442343534909727,2.658520067776687,1.9649839288804951,1.964983928880495,2.3660346320315813,3.2834724557705544,0.23324810949770525,0.3104590107626537,0.4978789369666099,0.49787893696661,0.3894997351152815,0.14157303082624473,6.546092095359292,9.974663523930719,10.67362660530693,10.67362660530693,5.861018167493895,0.5279818633499841,15.860625373896728,13.092551355413512,14.834060155699913,14.834060155699913,10.02145171788688,3.143294797722295,4.0,3.0,4.0,4,0,4,1.9,0.6722,0.33333333333333337,2.8284271247461903,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.08499999999999999,0.064,0.12700000000000003,0.04000000000000001,1.77,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,1.3862943611198906,1.0986122886681098,0.6931471805599453,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3978952727983707,1.0,0.3333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.3333333333333333,3.0,1.0,0,2.0,3.0,0.5,0.5,0.22222222222222232,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.16666666666666666,0.11111111111111116,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2777777777777778,5.162277660168381,8.576491222541476,10.32455532033676,2.58113883008419,5.173116539955508,0.0,0.0,0.0,8.452346590056031,2.1130866475140078,0.8537776423127849,0.0,77.74039720426681,3.0,2.3978952727983707,2.833213344056216,3.295836866004329,3.7612001156935624,4.23410650459726,4.709530201312334,5.187385805840755,5.666426688112432,6.1463292576688975,45.231924056084154,1.9459101490553132,0.0,2.70805020110221,0.0,3.6109179126442243,0.0,4.553876891600541,0.0,5.5093883366279774,5.993961427306569,58.078250319999995,4.148446451428571,6.871320343559642,1.7178300858899105,0.0,0.0,0.0,10.0,1.0,2.616,10.0,1.2076153846153845,2.075637185592878,2.8049074617526863,3.488097614403854,4.721422713450427,0.0,0.0,0.0,0.0,0.0,61.06881986838462,45.769005476828625,34.93504551529268,19.387485700641086,4.797267647919295,0.0,0.0,0.0,0.0,0.0,247.08209725358148,251.22994902059494,231.52053808890136,227.91996131530584,146.75949697528236,0.0,0.0,0.0,0.0,0.0,8.743989366461538,14.618303220030121,19.38426134652848,24.004863530629066,31.720708529099017,0.0,0.0,0.0,0.0,0.0,1.9335563284846156,2.2513761166249195,2.288578021323541,2.506411321156634,2.0992054676472427,0.0,0.0,0.0,0.0,0.0,175.6597976169067,331.72304526480696,476.740794050047,599.592008884987,873.0744023852117,0.0,0.0,0.0,0.0,0.0,2.5075961538461535,3.300437663273685,3.9623259314080417,4.91658206148101,4.721422713450427,0.0,0.0,0.0,0.0,0.0,0.40317403846153854,0.4812386505904505,0.4983157955225404,0.5537406556327711,0.48347368585732375,0.0,0.0,0.0,0.0,0.0,308.3371087737139,74.64572098587442,7.378325385130399,160.82840356323257,-38.9351518107253,-9.699861178738807,147.50870521048134,113.58087279659972,17.078186563869206,0.6572032697754466,0.15910317153121256,0.015726487116195818,0.34279673022455326,-0.08298809436521999,-0.020674710573722936,144.6611376103123,35.02119793009853,3.4616558095034016,75.4551403560772,-18.26703044719573,-4.55084033952025,0.10800405605280394,0.26920761453086717,2.601916055022282,17.88064912041499,469.1655123369465,0.0,1.0,0.0,186.24470743844984,13.647150158126415,5.7107697016580286,283.1150682563263,16.82602354260585,6.566304142801328,242.6090630960926,15.57591291372973,6.236903246932225,1.77245686261412,1.5761019638712905,142.22908532027918,132.93127023150691,22.69797825794306,1.0699445290230027,6.266156558261162,5.856524696642891,2.8568027871727577,3.2201944036352645,5.261228038604414,0.6338231110100169,2.7890055343579525,2.84563205109369,1.521084502825665,6.008783600726188,3.5674243530948435,0.14346753262542727,1.184478626267862,6.656961858131523,1.2811840982099238,0.0066838722963331425,3.96215598587167E-24,4.530132448623586E-67,9.990014880796824E-132,4.2491031628307606E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2340619081405719,2.845426267687077,0.09677860319492074,2.0688611519077926,0.02769383537046867,0.0011482441334452731,0.15529347052126924,0.32112902366665447,0.009023484360204842,4.7075059091798985E-5,2.790578857530843E-26,3.1906093243227646E-69,7.036049164186808E-134,2.9926781004949072E-220,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7555803717167978,2.8454404122692947,0.3327578606277768,2.4527993663363317,0.2684268994571742,0.010858517224025196,0.36534011676055755,1.1931679191958098,0.09403166417533107,4.905584107978831E-4,2.9079983243079734E-25,3.324860913216263E-68,7.332105711324666E-133,3.118601317410064E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6325937163351867,2.8456095971657587,1.4145200929464266,5.618901831104594,3.1802792123617754,0.12791295119622983,1.1214613330980499,6.120066073825188,1.1415119656528163,0.0059552098826541255,3.530209650568121E-24,4.036266453291713E-67,8.900923403132858E-132,3.785874419172986E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1135864474701294,2.8454583943511236,0.5110072078614895,2.8411519199807413,0.5767394098176527,0.02326679958539956,0.5095400516429359,1.9168700579362277,0.20424933972268078,0.0010655584199191204,6.316560946406312E-25,7.222042193457083E-68,1.5926313369557217E-132,6.774018789591803E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.368128094779171,2.845726378647314,1.9376370729506902,7.621158164476574,5.194376475855993,0.20882760618445967,1.4178161462843726,8.814047031077722,1.8684865995420707,0.009747799583370634,5.778432135742333E-24,6.606772427344681E-67,1.4569497826330704E-131,6.196917625590147E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6392522324401886,2.555143688305442,0.7219887592555505,3.4072112458727,1.1706612148618836,0.047121649633086814,0.8133155319071721,3.3384899435666133,0.41834582798746245,0.002182488913088373,1.2937652198764635E-24,1.4792269219995382E-67,3.262045675362228E-132,1.3874622572508605E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.7932181628318493,0.6613443926390512,0.47486145000000013,0.7108467192501694,0.16830568340761076,0.5660365969817498,0.505702986092927,0.5714065272741305,3.9294240054709006,3.4877177536130133,8.294343424023031,0.566270078875254,1.6431461103488072,2.173345565973969,0.2753780711858935,0.11529221633748543,0.8476334352650354,0.10740107975942294,0.3430383075016471,0.08598769099710887,0.03368304491977251,2.564015853497348,0.8808104853044747,3.5138277745048354,0.7714501528975533,0.46270904341852853,2.437234406441131,0.4399174283189551,0.2684475535252715,0.7748076298328787,0.1398517020181488,0.43114663920371066,0.22144247407540965,0.1826124021208543,3.145599388285358,1.8445462634541487,5.277970257659406,0.6622114447493181,0.8352015153999746,2.779542024274172,0.6528477538535187,0.4669350828528076,0.7128264823709115,0.1674258434803398,0.5605137319942638,0.4926119779979298,0.5524899464367925,3.8993248609804985,3.4173209727220386,8.163954531217737,0.5692397235563672,1.605615656428986,2.5469767723616625,0.5082396807531513,0.3321024362292806,0.7519152626503518,0.15004187599578633,0.47076503931636804,0.29657793688018547,0.27948306120829264,3.3873188893440944,2.309119488957994,6.126336567080029,0.6278728939755277,1.0468260374048461,2.8355509947832673,0.6876399518574461,0.4993948594467694,0.7049075225423794,0.17094475668283393,0.5833046743695041,0.5473281885795537,0.6319744253744954,4.022585806087482,3.709301597143869,8.705626551865876,0.5573612838135691,1.7626072883235533,2.789128734033687,0.6524962966161265,0.4673039733421751,0.7135276008301232,0.1669245708862365,0.5643747000309938,0.4924253756576569,0.5533632532455626,3.9089290039919886,3.428181221319149,8.187554936502064,0.570291401245185,1.6101633289342132 +UMLCN0433,L,"2,2-Dimethylpentane",CCCC(C)(C)C,Alkanes,,C7H16,Kubic (2016),Unknown,PubChem,,30,0,1.3818999999999997,1.909647609999999,32.8025,22.988687999999986,0,0,23,7,16,0,7,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1026.105871,1059.2981339999997,1410.479623999998,1071.5006439999981,702.539211000001,236.21673600000005,27.433728000000002,0.0,0.0,3461.9582231401955,4376.8872724242765,6118.039963438031,6594.369706127359,4921.080765894766,2624.766494426084,839.2610996351166,0.0,0.0,160.27903600000002,159.12520800000004,296.73526400000003,382.05198400000023,493.38058799999965,249.04972800000021,181.39852800000006,0.0,0.0,26.63610647758398,34.55010896000001,50.806666867886044,60.143501448490085,51.0857557272991,28.04682986728198,12.004548430923007,0.0,0.0,3846.242925017985,3210.726899946401,6665.652931317487,8481.255853118493,12567.389180338901,6084.723595268683,4992.776604654723,0.0,0.0,38.0625,44.625,68.125,94.0,92.25,54.0,27.0,0.0,0.0,44.613298739130435,48.149915181818166,33.58284819047614,19.842604518518485,9.75748904166668,6.561576000000001,1.016064,0.0,0.0,150.5199227452259,198.94942147383074,145.667618177096,122.11795752087701,68.34834397076064,72.91018040072456,31.083744430930242,0.0,0.0,6.968653739130436,7.232964000000002,7.065125333333334,7.075036740740745,6.852508166666662,6.918048000000006,6.718464000000002,0.0,0.0,1.158091585981912,1.5704594981818187,1.2096825444734773,1.1137685453424089,0.7095243851013764,0.7790786074244994,0.4446129048490003,0.0,0.0,167.22795326165152,145.94213181574548,158.7060221742259,157.06029357626838,174.54707194915142,169.02009986857453,184.917652024249,0.0,0.0,1.6548913043478262,2.028409090909091,1.6220238095238095,1.7407407407407407,1.28125,1.5,1.0,0.0,0.0,0.03130808879196679,-0.007806787553810762,0.009954918522642223,-0.035290689337116356,0.018020306687672943,-0.015105075814353327,0.014573283098981841,0.0,0.0,589.5388264347827,-58.58770945935662,113.05597059735399,-678.7935400642709,286.3016583345925,-259.5252442457472,302.779451620037,0.0,0.0,1096.27262196491,-108.94634752446328,210.23240498861233,-1262.2455732717092,532.3901591918097,-482.5982737997707,563.0313194330653,0.0,0.0,0.115486608695652,-0.011476930056708502,0.02214688846881067,-0.1329709943289198,0.05608452930056392,-0.050839213610586576,0.059312415879014375,0.0,0.0,4.9008486914386085,-0.4870408637454439,0.9398366667588067,-5.642825007300809,2.3800317208810835,-2.1574388261224318,2.5170119638094937,0.0,0.0,26.621487874186396,-2.645613701782522,5.105207690158405,-30.651914997995686,12.92837008175748,-11.71924194461467,13.6724489353838,0.0,0.0,3.3641304347826093,-2.0222117202268417,2.5198487712665414,-4.167414933837428,2.8139177693761828,-2.2329867674858206,1.4067816635160677,0.0,0.0,0.001361221251824643,-3.54853979718671E-4,2.370218695867196E-4,-6.535312840206732E-4,2.502820373287909E-4,-4.195854392875924E-4,5.397512258882163E-4,0.0,0.0,25.63212288846881,-2.663077702698028,2.6918088237465234,-12.570250741930943,3.976411921313785,-7.209034562381867,11.214053763705074,0.0,0.0,47.664027041952615,-4.952106705657422,5.005533452109818,-23.37491802355017,7.394307766552913,-13.405507605549186,20.85301183085427,0.0,0.0,0.005021156899810956,-5.216786389412955E-4,5.27306868305016E-4,-0.002462425820905922,7.789517958411656E-4,-0.0014122003780718494,0.002196756143667199,0.0,0.0,0.21308037788863515,-0.02213822107933836,0.022377063494257304,-0.10449675939445943,0.033055996123348384,-0.05992885628117866,0.09322266532627754,0.0,0.0,1.1574559945298433,-0.1202551682628419,0.1215525640513906,-0.5676280555184386,0.179560695579965,-0.3255344984615186,0.5063869976068074,0.0,0.0,0.14626654064272215,-0.09191871455576553,0.05999639931587003,-0.07717435062661904,0.03908219124133587,-0.06202741020793946,0.05210302457466917,0.0,0.0,-0.26068795153103036,0.17412442633334196,-0.48010658307358195,0.1838658021194581,-0.3082419105087883,0.3965198347915221,0.0,0.0,-0.10389610389610272,0.10501700680272154,-0.49041005291005196,0.155133928571428,-0.28125000000000056,0.43749999999999883,0.0,0.0,-0.10389610389610406,0.10501700680272105,-0.4904100529100528,0.1551339285714285,-0.2812500000000003,0.43750000000000006,0.0,0.0,-0.10389610389608347,0.10501700680272882,-0.4904100529100437,0.15513392857142,-0.28125000000000355,0.4374999999999812,0.0,0.0,-0.10389610389610221,0.10501700680272168,-0.49041005291005196,0.15513392857142788,-0.2812500000000001,0.43749999999999845,0.0,0.0,-0.10389610389610479,0.10501700680272087,-0.4904100529100532,0.155133928571429,-0.28125000000000017,0.43750000000000083,0.0,0.0,-0.6284329563812595,0.4101853988768367,-0.5276281936217313,0.26719843834141094,-0.4240710823909527,0.35621970920840046,0.0,0.0,1.7993610689699069,0.8620609393429908,1.6853104026498764,0.547746637528616,1.2989023901405388,9.227185345654983E-5,0.0,0.0,1.6428571428571437,1.075680272108844,1.6732804232804244,0.5647321428571431,1.1294642857142863,0.0,0.0,0.0,1.6428571428571428,1.0756802721088434,1.6732804232804228,0.5647321428571428,1.1294642857142856,0.0,0.0,0.0,1.6428571428571432,1.0756802721088436,1.6732804232804233,0.5647321428571429,1.1294642857142858,0.0,0.0,0.0,1.6428571428571432,1.0756802721088436,1.6732804232804226,0.5647321428571429,1.1294642857142858,0.0,0.0,0.0,1.642857142857144,1.0756802721088443,1.6732804232804235,0.5647321428571432,1.1294642857142865,0.0,0.0,0.0,2.229402261712439,0.42818678359873824,1.8430413450607308,0.38317851373182543,1.6348949919224551,0.0,0.0,0.0,27.270524509078577,13.635262254539292,20.45981537409788,27.270524509078584,3.895789215582655,13.63526537250317,5.329070518200751E-15,0.14543033036487835,0.020775761480696906,-1.3496406953072544,23.374904520752256,3.3392720743931794,2.206164093344896,27.270524509078577,13.635262254539292,20.45981537409788,27.270524509078584,3.895789215582655,13.63526537250317,5.329070518200751E-15,0.14543033036487835,0.020775761480696906,-1.3496406953072544,23.374904520752256,3.3392720743931794,2.206164093344896,27.270524509078577,13.635262254539292,20.45981537409788,27.270524509078584,3.895789215582655,13.63526537250317,5.329070518200751E-15,0.14543033036487835,0.020775761480696906,-1.3496406953072544,23.374904520752256,3.3392720743931794,2.206164093344896,27.270524509078577,13.635262254539292,20.45981537409788,27.270524509078584,3.895789215582655,13.63526537250317,5.329070518200751E-15,0.14543033036487835,0.020775761480696906,-1.3496406953072544,23.374904520752256,3.3392720743931794,2.206164093344896,27.270524509078577,13.635262254539292,20.45981537409788,27.270524509078584,3.895789215582655,13.63526537250317,5.329070518200751E-15,0.14543033036487835,0.020775761480696906,-1.3496406953072544,23.374904520752256,3.3392720743931794,2.206164093344896,27.270524509078577,13.635262254539292,20.45981537409788,27.270524509078584,3.895789215582655,13.63526537250317,5.329070518200751E-15,0.14543033036487835,0.020775761480696906,-1.3496406953072544,23.374904520752256,3.3392720743931794,2.206164093344896,36.39468620431565,18.080676435491156,27.809942086816697,36.228019537648976,5.175431362521282,18.08067646537222,-0.23333333333333073,0.12772132253360124,0.018245903219085893,-1.4405331893707758,20.262404639506197,2.894629234215171,2.1061370265569397,0,11.889999999999997,12.11009425580983,-0.1594526236094801,0.06176666300203487,5.2841829668177684,8.590248746197835,6.0,22.0,22.0,22.0,6.0,0.0,0.0,0.0,0.0,0.0,17.491311999999997,3.5590197462101605,3.0436300643391947,2.3335527931030473,2.3335527931030446,2.2052241951305147,1.3927439857458312,0.4649234113160963,0.08392307051869144,1.9362374222075376,1.6359340572235264,1.2496297225843558,1.2496297225843556,1.112240326179446,0.645437315056522,0.08392307051869055,0.08392307051869087,3.5834976942137406,3.0852941049444524,2.4054545878412865,2.4054545878412865,2.274903089775158,1.4984214705756704,0.5699307817438587,0.2709139018929376,1.8793881583094565,1.5535330878276883,1.1345406859483522,1.134540685948351,0.9967625199303312,0.49870776761366337,0.2709139018929368,0.270913901892937,3.6929387471046136,3.266372734689947,2.704236987233521,2.7042369872335184,2.567975623173265,1.9243521255619072,0.9663544425182877,0.9439184268026225,1.7151182719501623,1.3019541110064388,0.7603185604308975,0.7603185604308975,0.6234993913216694,0.0017481915592547435,0.9439184268026212,0.9439184268026213,3.601631153015729,3.115902199893185,2.4575399160416938,2.457539916041693,2.3256072863708077,1.5742680493947367,0.6437067686187172,0.3992772455089829,1.8434303605528346,1.50022183674934,1.0582626705327118,1.0582626705327114,0.920368880195481,0.3999853977595942,0.39927724550898097,0.39927724550898136,3.747225935034511,3.3527744064720397,2.8389820851496497,2.8389820851496497,2.701595331295673,2.1089637021525656,1.207644822962089,1.2076448229620886,1.6649412839755775,1.2209075432072418,0.6313372621875626,0.6313372621875618,0.496015287074466,0.17746893011923598,1.1244151010316186,1.207644822962086,3.573490055304276,3.16845246022449,2.6126008182063587,2.6126008182063574,2.395325551676914,1.6412229026962433,0.6288607855813322,0.5714285714285717,1.8592962104811517,1.4293575421712301,0.8983151039206443,0.8983151039206436,0.820678315384473,0.29801968744639257,0.5714285714285706,0.571428571428571,0,0,0,0,0,4,2,0,1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5606601717798212,0.35355339059327373,0.0,0.0,1.5606601717798212,0.35355339059327373,0.0,0.0,0.75,1.0,0.25,0.75,1.0,0.25,5.914213562373095,3.060660171779821,3.310660171779822,1.0,0.75,0.0,0.0,0.0,0.844887651767585,0.5101100286299701,0.41383252147247773,0.25,0.25,0.0,0.0,0.0,5.914213562373095,3.060660171779821,3.310660171779822,1.0,0.75,0.0,0.0,0.0,0.844887651767585,0.5101100286299701,0.41383252147247773,0.25,0.25,0.0,0.0,0.0,11.334622430286998,22.102694828841948,20.80392156862746,21.080000000000002,13.388435928143707,177.48334610778446,0.4928096708820434,0.9609867316887803,0.9045183290707591,0.9165217391304349,0.5821059099192916,7.716667222077585,2.832600000000001,34.362999999999985,13.635262254539292,20.45981537409788,27.270524509078584,3.895789215582655,13.63526537250317,0.14543033036487835,0.020775761480696906,-1.3496406953072544,23.374904520752256,3.3392720743931794,2.206164093344896,38,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.050347222222221,0.0,2.6493055555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5503472222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2274305555555554,0.0,1.3090277777777777,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5503472222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2743055555555554,0.0,1.3402777777777777,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5503472222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.25,1.75,0.2,2.2743055555555554,-0.0,0.5503472222222222,5.321550347222222,0.6996527777777778,0.2743055555555556,2.1006944444444446,0.6996527777777778,0.2743055555555556,2.1006944444444446,3.5,0.5,0.0,0.0,0.42174,0.7,0.42174,0.42174,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.57143,0.0,0.14286,3.0,0.42857,3.0,0.42857,0.0,0.0,-3.0,-0.42857,0.0,0.0,7.77542,1.11077,7.77542,0.0,0.0,3.06066,0.43724,3.06066,0.0,0.0,0.35334,0.05048,0.35334,0.05048,0.0,6.0,0,0,0,0,0,0,1.0,0.8865408928220899,1.3061706517091867,2.0985864121084328,2.608818477043632,2.4990983919976753,1.7993484865964557,20.39044053490807,30.041924989311294,48.267487478493955,60.00282497200354,57.47926301594653,41.38501519171848,0.19598292262472913,0.2887482617454227,0.46392343743594416,0.5767177508313874,0.5524625099146487,0.39777248638921425,3.637021063234923,3.217391304347826,2.4249755439485803,1.914743479013381,2.024463564059338,2.7242134694605573,0.1988013201316891,0.2929007020200308,0.4705950425022357,0.5850114319817351,0.5604073805175521,0.40349278573449604,6.634953581644547,11.67051068828971,14.975874705765413,14.53425805137094,13.217617030819458,8.18858421222804,27.765075162887893,21.21742031364256,19.25152914777305,20.078829785932967,17.582129124670956,14.609216459587817,7.0,2.34375,6.0,7,0,5,2.23,1.0949,2.121320343559643,3.746748297500992,0.0,3.0393427426063697,1.0,0.0,1.4142135623730951,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.136,0.111,0.04800000000000004,0.019000000000000017,2.855,8.0,4.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,28.0,1.9459101490553132,2.1972245773362196,1.6094379124341003,1.3862943611198906,0.0,0.0,0.0,0.0,0.0,0.0,3.367295829986474,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.3333333333333333,6.0,1.0,0,2.0,4.0,1.0,3.0,0.666666666666667,0.375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5,0.08333333333333337,0.09375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6770833333333334,13.635262254539292,20.45981537409788,27.270524509078584,3.895789215582655,13.63526537250317,0.14543033036487835,0.020775761480696906,-1.3496406953072544,23.374904520752256,3.3392720743931794,2.206164093344896,0.0,129.62835108186675,3.807354922057604,3.367295829986474,3.970291913552122,4.812184355372417,5.43372200355424,6.285998094508865,6.912742820493176,7.767687277186908,8.395929103923198,9.251578279992428,69.19742967856983,2.5649493574615367,0.0,3.8066624897703196,0.0,5.198497031265826,0.0,6.650279048587422,0.0,8.12355783506165,8.38662882139512,100.12520051199999,4.353269587478261,12.448985386504598,1.778426483786371,0.0,0.0,0.0,46.0,4.0,4.2989999999999995,28.0,1.2248181818181816,2.110039005455126,2.925391862685827,3.444940647523795,4.26717597897267,5.232313992703412,0.0,0.0,0.0,0.0,69.72220730918178,81.39693149121531,62.8596937493871,40.555030775998056,31.45493156290703,5.316365884682199,0.0,0.0,0.0,0.0,268.7875960232532,337.4239972803595,370.6491672971228,256.70878765478915,337.183554501117,162.63991093157316,0.0,0.0,0.0,0.0,8.893455721090909,14.975687242992654,20.726274536895122,23.66040965095833,29.644893483762196,35.15311319667414,0.0,0.0,0.0,0.0,2.0597711487490895,2.7358458262335215,3.3390027042806274,2.578335402390648,3.532878549918683,2.3263543233779336,0.0,0.0,0.0,0.0,176.61150707371556,329.98792123533514,457.39612712565696,597.3414424711555,711.3323912048986,967.5472181843387,0.0,0.0,0.0,0.0,2.530176136363636,3.5926345566736932,5.157394395960856,4.556317718953783,6.712325107584074,5.232313992703412,0.0,0.0,0.0,0.0,0.4279111363636364,0.5753760635601838,0.7133183332530629,0.5638877998827277,0.7734113403437305,0.5357889528528295,0.0,0.0,0.0,0.0,362.95644594994434,140.44958269648976,8.674593963083884,142.83977492847131,-55.273262136612,-8.668901581569193,220.11667102147302,195.72284483310176,17.343495544653077,0.7175942226685648,0.2776801741471519,0.01715037322346681,0.2824057773314353,-0.10927970565026958,-0.017139118925234204,183.58199870494275,71.03886815183503,4.387576844182548,72.24781834994425,-27.95700710432037,-4.384697659124617,0.06984233186311009,0.16864662712673864,1.330292730996291,10.978677622356756,505.7962208784156,0.0,1.0,0.0,372.4894148768997,19.299984841364505,7.195118958220815,527.481992185502,22.966976121934337,8.079836002258588,633.5435870380388,25.170291755123515,8.588661762034057,1.4630261345117122,1.205835205461778,343.08540360761583,339.6463058557166,121.65533630618805,1.010125526739455,2.820142658963367,2.791873469494822,3.897399416448388,3.220218460982486,6.424246450394837,0.9949722443472996,4.462408854974309,5.691253304595058,2.7822045969196028,20.122729406107037,4.123250571160093,6.332667077460557,7.623546394275178,9.216351970361979,4.238703442261689,6.84198506790158,1.605890969390015,1.1267105556755486,8.026179104848394E-15,1.1027773721920957E-50,2.922420801982873E-108,1.4937350086590368E-187,1.4725846652083677E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3744990530264998,5.690852363056433,0.15166659869499008,8.617090787891017,1.0271902679718206,0.17995417494380875,0.37029018242906514,0.5072377775570172,1.0574611709857191,0.08533359125688408,0.011311489767669254,0.007935514569432828,5.652903569827095E-17,7.766951201255298E-53,2.058284866093577E-110,1.0520497801654618E-189,1.037153420336769E-290,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.208928594748461,5.690879784721694,0.5435147975215934,10.472133878012693,1.2543938855377972,0.8124787571549763,1.1743930286606734,1.7324324405877511,1.4324421685195625,0.5975955051789651,0.11786605623975004,0.08269418012738285,5.890761360915981E-16,8.093761986793297E-52,2.1448915250668306E-109,1.0963169843968191E-188,1.0807938289399416E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.212149946137883,5.691209507583959,2.569833128888376,19.243777425359713,3.7905183630913966,5.735472873756217,6.94020469364711,8.487722536801675,3.9468840910736587,6.1216620027774535,1.4308206776322843,1.003878820325581,7.15118108276359E-15,9.825547847239097E-51,2.6038243206397363E-108,1.330891000193545E-187,1.3120464249601051E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7817383159537918,5.690914766977827,0.8555896994657398,11.892094073426884,1.5305461321223837,1.4317800817094404,1.9272338725846279,2.7375451534023885,1.771323486034937,1.2066521693796055,0.25601819519823704,0.17962280938109523,1.2795520838484675E-15,1.7580732577434633E-51,4.658991007066404E-109,2.3813469872513914E-188,2.3476286192921382E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.389004951648256,5.691437324025087,3.626803976423919,23.575321159211676,5.517793768893359,8.794203131495818,10.425363213041885,12.136073158744443,5.429390279680611,9.85723574079115,2.342037569988796,1.6432014554225989,1.1705427911484995E-14,1.6082971565902106E-50,4.26207608598847E-108,2.1784721265636447E-187,2.147626338383388E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.7320870540673576,4.529584755470589,1.1263059872624206,14.495984613111421,2.0368621644676264,2.638297077471192,2.9878855912833595,3.999831076098895,2.721530226296099,2.391882386290521,0.5243770990718973,0.36790548756752595,2.6207931770933532E-15,3.600905705117047E-51,9.54259853708693E-109,4.877502069090732E-188,4.808439723129363E-289,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.515230743162305,1.1235959851419723,1.083373055801688,0.6143145775731637,0.1963573498889156,0.4927564447236882,0.4675911476745748,0.47218224351456756,5.722199784105966,8.975279037842348,18.976476459434668,0.42147186635974554,1.4325298359128305,2.8022214179607263,0.6247493260125098,0.5902495652997358,0.6975523377426782,0.15551781528396574,0.3130399368724837,0.14448598729452716,0.14016027556215827,4.017220309272972,3.773453934133898,8.824015859771963,0.5463285066140173,0.5976861997291691,3.0975428063592907,0.831377588503066,0.7945008683470021,0.655783728308545,0.17601173856303073,0.38254679645440526,0.25592765609864315,0.253946565333249,4.723421263209358,5.696758334020394,12.466200216152286,0.4836755924628175,0.8924210178862974,3.4987543017849445,1.1120694464230734,1.0719781974457046,0.6156741577912697,0.19569034026843005,0.4881447850087441,0.45804198234836724,0.46230170584070357,5.682801945653723,8.833560289900209,18.68727692316076,0.4235112366869046,1.408488473197815,3.2238726319133755,0.9197621996310207,0.881871590484572,0.6415020420194366,0.18301880893024136,0.4144085256506761,0.31326543548388625,0.3128702685509246,5.025506422028968,6.619350022540223,14.259778718798493,0.46225306302915486,1.040544229685487,3.5664563088300834,1.1594319466704088,1.1187997770736684,0.6102047344448799,0.19837362408541817,0.5072328266212901,0.49790910292380663,0.50356824219259,5.844688032574161,9.422386107590842,19.893382128858704,0.4153071016673199,1.5087101717376867,3.507982808109876,1.1142547616046923,1.0750020776921667,0.6157337632280637,0.1955780045362631,0.4907329586557824,0.4598578861499699,0.4649135438376759,5.697239647406735,8.877701538593781,18.776894845886822,0.42360064484209564,1.4155043886434282 +UMLCN0434,L,3-methylhexane,CCCC(C)CC,Alkanes,,C7H16,NREL (2014),IQT,PubChem,,42,0,-0.0844000000000007,0.0071233600000001175,30.607699999999998,22.988687999999986,0,0,23,7,16,0,7,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1026.105871,1059.2981339999997,1168.3476059999982,1059.4743649999973,750.7962030000002,366.4273210000007,93.979872,9.144576,0.0,3461.9582231401955,4376.8872724242765,5667.785136559583,5815.662656291521,4863.490597775549,3129.647607743681,1341.1783312726463,279.75369987837234,0.0,160.27903600000002,159.12520800000004,296.68783200000007,377.2856839999999,374.84324399999997,309.5396200000001,183.79353600000007,60.46617599999999,0.0,26.63610647758398,34.55010896000001,48.79381829818805,53.12274887152709,47.09631187092309,33.054770295771974,16.018136861829007,4.001516143641,0.0,3846.242925017985,3210.726899946401,6654.7191059405895,8868.26401754313,9048.100818034325,7754.449376175374,4802.005978786629,1664.258868218241,0.0,36.52777777777778,43.25,65.25,79.58333333333334,78.0,61.0,33.0,9.0,0.0,44.613298739130435,48.149915181818166,27.817800142857102,19.6198956481481,13.903633388888894,8.142829355555572,3.480736,1.016064,0.0,150.5199227452259,198.94942147383074,134.94726515618055,107.69745659799112,90.0646406995472,69.54772461652624,49.67327152861653,31.08374443093026,0.0,6.968653739130436,7.232964000000002,7.063996000000001,6.9867719259259236,6.941541555555555,6.878658222222225,6.8071680000000026,6.718463999999999,0.0,1.158091585981912,1.5704594981818187,1.161757578528287,0.9837546087319831,0.8721539235356127,0.734550451017155,0.5932643282158891,0.444612904849,0.0,167.22795326165152,145.94213181574548,158.44569299858546,164.2271114359839,167.5574225561912,172.32109724834163,177.85207328839368,184.917652024249,0.0,1.5881642512077294,1.9659090909090908,1.5535714285714286,1.4737654320987656,1.4444444444444444,1.3555555555555556,1.2222222222222223,1.0,0.0,0.03250387347459481,-0.005861213597411449,-0.007945529751419359,-0.003306303574470671,-0.004926973919839689,-0.001999363055012032,0.0030591877058941067,0.004728259454961702,0.0,589.5388264347827,-58.58770945935663,-129.07604740264617,-115.5734112381854,-136.62836932514233,-37.532751372401364,81.70239170699391,100.92648387334572,0.0,1096.27262196491,-108.94634752446328,-240.02242188983323,-214.91369335880478,-254.06628700040878,-69.79375388285952,151.92908619622403,187.67710647768848,0.0,0.115486608695652,-0.011476930056708504,-0.02528511153118931,-0.022640037807182906,-0.02676455954631427,-0.007352408317581816,0.016004937618145823,0.019770805293004803,0.0,4.9008486914386085,-0.4870408637454439,-1.073011902939193,-0.9607642038728614,-1.1357945142813866,-0.31201055333693484,0.6791937045200187,0.8390039879364979,0.0,26.621487874186396,-2.645613701782523,-5.8286176867395865,-5.218886403906895,-6.169653827984973,-1.6948462777044029,3.6893909825638973,4.55748297846127,0.0,2.8454106280193265,-1.1745956731779046,-0.30828607435412764,0.13468809073723959,-0.2385003150598625,-0.16493383742911233,-0.06852551984877145,0.3974480151228736,0.0,0.0014132118901997743,-2.6641879988233857E-4,-1.8917927979569902E-4,-6.12278439716791E-5,-9.124025777480905E-5,-4.443029011137849E-5,1.133032483664484E-4,5.253621616624114E-4,0.0,25.63212288846881,-2.6630777026980286,-3.0732392238725277,-2.1402483562626924,-2.5301549875026357,-0.8340611416089192,3.026014507666441,11.21405376370508,0.0,47.664027041952615,-4.952106705657422,-5.714819568805553,-3.9798832103482367,-4.70493124074831,-1.5509723085079894,5.627003192452742,20.853011830854275,0.0,0.005021156899810956,-5.216786389412956E-4,-6.020264650283169E-4,-4.19259959392276E-4,-4.956399915984124E-4,-1.6338685150181815E-4,5.927754673387341E-4,0.0021967561436672003,0.0,0.21308037788863515,-0.02213822107933836,-0.025547902450933163,-0.017791929701349286,-0.021033231745951602,-0.006933567851931885,0.025155322389630322,0.09322266532627754,0.0,1.1574559945298433,-0.12025516826284197,-0.13877661158903778,-0.09664604451679436,-0.11425284866638839,-0.0376632506156534,0.13664411046532954,0.5063869976068077,0.0,0.12371350556605767,-0.05339071241717748,-0.00734014462747923,0.0024942239025414737,-0.004416672501108564,-0.0036651963873136073,-0.002537982216621165,0.044160890569208175,0.0,-0.18852006675706437,-0.13386476657011162,-0.043325310518738856,-0.06456233379264249,-0.031439227492699444,0.08017428182721534,0.37175045391681866,0.0,-0.10389610389610274,-0.11989795918367314,-0.08349867724867734,-0.09871031746031786,-0.03253968253968306,0.11805555555555493,0.437499999999999,0.0,-0.10389610389610406,-0.11989795918367369,-0.08349867724867747,-0.0987103174603177,-0.032539682539682695,0.11805555555555561,0.4375000000000001,0.0,-0.10389610389608349,-0.119897959183666,-0.08349867724867568,-0.09871031746031934,-0.03253968253968913,0.11805555555554374,0.43749999999998146,0.0,-0.10389610389610221,-0.11989795918367284,-0.08349867724867703,-0.09871031746031754,-0.03253968253968304,0.11805555555555454,0.43749999999999845,0.0,-0.10389610389610485,-0.11989795918367387,-0.08349867724867745,-0.09871031746031754,-0.03253968253968234,0.11805555555555626,0.4375000000000011,0.0,-0.4315673715079486,-0.059331797235023055,0.02016129032258055,-0.035700811167704335,-0.029626485568760724,-0.020514997170345252,0.35696095076400663,0.0,1.7271547555714628,1.2098094046761736,1.0216458946659723,1.0091945509355407,0.8614673386890818,0.583673553377439,1.5149699752466946E-8,0.0,1.6428571428571437,1.2908163265306132,1.0876322751322758,1.0039682539682546,0.8031746031746034,0.501984126984127,0.0,0.0,1.6428571428571428,1.290816326530612,1.087632275132275,1.0039682539682537,0.8031746031746032,0.5019841269841271,0.0,0.0,1.6428571428571432,1.2908163265306123,1.0876322751322751,1.003968253968254,0.8031746031746033,0.5019841269841272,0.0,0.0,1.6428571428571432,1.2908163265306125,1.0876322751322756,1.0039682539682544,0.8031746031746033,0.5019841269841271,0.0,0.0,1.642857142857144,1.2908163265306132,1.0876322751322758,1.0039682539682548,0.8031746031746037,0.5019841269841272,0.0,0.0,2.0403225806451593,0.9204462769827783,0.8590831918505932,1.0261271458215422,0.9879456706281824,0.8590831918505933,0.0,0.0,29.727157377265133,14.863578688632563,22.55648516754926,29.72715737726513,4.246736768180733,14.863579652764017,-7.105427357601002E-15,0.0590165062219169,0.008430929460273842,-1.9809566754114147,24.428182014219445,3.489740287745635,2.2370162264673326,29.727157377265133,14.863578688632563,22.55648516754926,29.72715737726513,4.246736768180733,14.863579652764017,-7.105427357601002E-15,0.0590165062219169,0.008430929460273842,-1.9809566754114147,24.428182014219445,3.489740287745635,2.2370162264673326,29.727157377265133,14.863578688632563,22.55648516754926,29.72715737726513,4.246736768180733,14.863579652764017,-7.105427357601002E-15,0.0590165062219169,0.008430929460273842,-1.9809566754114147,24.428182014219445,3.489740287745635,2.2370162264673326,29.727157377265133,14.863578688632563,22.55648516754926,29.72715737726513,4.246736768180733,14.863579652764017,-7.105427357601002E-15,0.0590165062219169,0.008430929460273842,-1.9809566754114147,24.428182014219445,3.489740287745635,2.2370162264673326,29.727157377265133,14.863578688632563,22.55648516754926,29.72715737726513,4.246736768180733,14.863579652764017,-7.105427357601002E-15,0.0590165062219169,0.008430929460273842,-1.9809566754114147,24.428182014219445,3.489740287745635,2.2370162264673326,29.727157377265133,14.863578688632563,22.55648516754926,29.72715737726513,4.246736768180733,14.863579652764017,-7.105427357601002E-15,0.0590165062219169,0.008430929460273842,-1.9809566754114147,24.428182014219445,3.489740287745635,2.2370162264673326,36.77045553956598,18.292965865021095,28.350093233599793,36.63865281847755,5.234093259782508,18.29296589299436,-0.18452380952378888,0.044253681667558886,0.0063219545239369835,-2.1824716966237494,23.05157387314646,3.2930819818780654,2.196413833559594,0,11.889999999999995,12.110094255809829,-0.16914805549809517,0.051271424525828634,5.205584378590048,7.956379542793452,6.0,22.0,22.0,22.0,6.0,0.0,0.0,0.0,0.0,0.0,17.491311999999997,3.5131141278117948,3.0718565170149006,2.688670693522091,2.233248776695843,1.7763727418333952,1.3964310609673658,0.9308722805679127,0.08392307051869158,1.9215551071958905,1.656855365636779,1.4325716891383027,1.1395807055043508,0.8599744351621049,0.651168220784388,0.36139918136063953,0.08392307051869087,3.5405596413747187,3.1131114029272617,2.743477415509765,2.303286335899626,1.8639328677261502,1.5027233551331063,1.0585348588401935,0.2709139018929377,1.861678807597937,1.5755446163054192,1.333760036039073,1.0246198410195835,0.7280787289795208,0.5045504237862619,0.20099611043246665,0.27091390189293657,3.6614693824919398,3.2921270902284756,2.9776517331464474,2.5969038464634666,2.223976013639539,1.9300211874959772,1.5577235443512696,0.9439184268026232,1.6856396105156257,1.3272638630652,1.0228098424811536,0.6523896579725565,0.2906873862391421,0.007523115329533447,0.3538696654044491,0.9439184268026208,3.560792974399335,3.143400625141866,2.783539989848406,2.3541895130600152,1.9271868988684615,1.5789327856843334,1.1491643063125716,0.3992772455089823,1.8235525903848446,1.5229421237688043,1.2690626858862013,0.948526365244686,0.6400056380053828,0.40587786017611405,0.09229911128608184,0.39927724550898114,3.720446315769414,3.3774348269147922,3.086797123008273,2.730372542985975,2.383750372606436,2.1148332791957793,1.7676098351779934,1.2076448229620889,1.6308049889448468,1.24721484200244,0.9195257401409072,0.5249337404436301,0.13681779563223156,0.17199508412348333,0.5595714881165303,1.2076448229620873,3.5422087735863497,3.2139631711379475,2.9227268998988283,2.468351897863491,2.0267621652066787,1.670673510215985,1.2476166426348154,0.5915492957746482,1.8276879985630066,1.4395469029726793,1.120405589521296,0.8106512652952369,0.5100229892812214,0.28057994565238487,0.03743670116426616,0.591549295774647,0,0,0,0,0,3,3,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.49279927982674443,0.4082482904638631,0.20412414523193154,0.49279927982674443,0.4082482904638631,0.20412414523193154,5.698670612749268,3.308060412490447,2.302095140581215,1.4783978394802335,0.696923425058676,0.20412414523193154,0.0,0.0,0.814095801821324,0.5513434020817412,0.38368252343020254,0.2956795678960467,0.232307808352892,0.20412414523193154,0.0,0.0,5.698670612749268,3.308060412490447,2.302095140581215,1.4783978394802335,0.696923425058676,0.20412414523193154,0.0,0.0,0.814095801821324,0.5513434020817412,0.38368252343020254,0.2956795678960467,0.232307808352892,0.20412414523193154,0.0,0.0,11.334622430286998,22.102694828841948,20.80392156862746,21.080000000000002,13.388435928143707,177.48334610778446,0.4928096708820434,0.9609867316887803,0.9045183290707591,0.9165217391304349,0.5821059099192916,7.716667222077585,2.832600000000001,34.362999999999985,14.863578688632563,22.55648516754926,29.72715737726513,4.246736768180733,14.863579652764017,0.0590165062219169,0.008430929460273842,-1.9809566754114147,24.428182014219445,3.489740287745635,2.2370162264673326,45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,3.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.8015740740740736,0.0,4.082685185185185,0.0,0.0,0.0,0.949074074074074,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2422222222222223,0.0,1.3411111111111111,0.0,0.0,0.0,0.949074074074074,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3090277777777777,0.0,1.3993055555555556,0.0,0.0,0.0,0.949074074074074,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.833333333333332,1.6904761904761902,0.2,2.3090277777777777,0.2,0.949074074074074,5.30949074074074,0.38425925925925936,0.3090277777777778,1.603148148148148,0.38425925925925936,0.3090277777777778,1.603148148148148,3.5,0.5,0.0,0.0,0.42174,0.7,0.42174,0.42174,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.42857,0.14286,0.0,3.0,0.42857,3.0,0.42857,0.0,0.0,-3.0,-0.42857,0.0,0.0,7.07892,1.01127,7.07892,0.0,0.0,3.30805,0.47258,3.30805,0.0,0.0,0.10595,0.01514,0.10595,0.01514,0.0,6.0,0,0,0,0,0,0,1.0,0.8865408928220899,1.3274847819558417,2.5218619553045025,3.207707064470473,3.017944978531331,2.3795712422046464,20.39044053490807,30.53214998498436,58.00282497200356,73.77726248282087,69.41273450622062,54.73013857070687,0.19598292262472913,0.2934600641820215,0.5574947308785613,0.7091108943860887,0.6671611901966606,0.5260392728828263,3.637021063234923,3.1960771741011715,2.0017000007525105,1.31585489158654,1.505616977525682,2.1439907138523666,0.1988013201316891,0.29768026409641224,0.565511969006294,0.7193084991065917,0.6767555232640943,0.5336041553501364,6.634953581644547,11.926280251249572,16.719080021498648,16.454450589025672,14.94658598082483,10.93525090336021,27.765075162887893,20.806172767965645,17.575220926044228,17.11297260950511,19.391733941466352,16.41148335951055,7.0,4.166666666666667,3.84,7,0,6,2.23,1.0949,0.7663094323935531,4.112265278882604,1.6509636244473134,0.0,1.6509636244473134,2.381101577952299,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.103,0.084,0.08800000000000005,0.024999999999999994,3.0389999999999997,6.0,5.0,3.0,1.0,0.0,0.0,0.0,0.0,0.0,28.0,1.9459101490553132,1.9459101490553132,1.791759469228055,1.3862943611198906,0.6931471805599453,0.0,0.0,0.0,0.0,0.0,3.367295829986474,1.0,0.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.5,6.0,1.0,0,3.0,5.0,0.6666666666666666,1.5,0.666666666666667,0.25,0.08000000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.25,0.11111111111111116,0.05,0.026666666666666672,0.0,0.0,0.0,0.0,0.0,0.0,0.4377777777777778,14.863578688632563,22.55648516754926,29.72715737726513,4.246736768180733,14.863579652764017,0.0590165062219169,0.008430929460273842,-1.9809566754114147,24.428182014219445,3.489740287745635,2.2370162264673326,0.0,129.62835108186675,3.807354922057604,3.2188758248682006,3.8501476017100584,4.532599493153256,5.187385805840755,5.877735781779639,6.53813982376767,7.2305631534092925,7.892452043520352,8.585412430393381,65.9133119584426,2.5649493574615367,0.0,3.6109179126442243,0.0,4.844187086458591,0.0,6.150602768446279,0.0,7.48605261786314,7.796469243086058,100.12520051199999,4.353269587478261,12.665375228258844,1.809339318322692,0.0,0.0,0.0,50.0,5.0,4.2620000000000005,24.0,1.2248181818181816,2.111425560360458,2.867533956822904,3.525187396505672,4.369189530194294,5.563380252442356,7.058444873210634,0.0,0.0,0.0,69.72220730918178,66.73106956187894,64.29670784998724,59.7971857269286,44.26043390591748,22.093072429744055,7.171831731653891,0.0,0.0,0.0,268.7875960232532,308.32153239731934,331.3002501164526,351.9450334447283,340.1511156728811,296.93007484706914,219.40289651868932,0.0,0.0,0.0,8.893455721090909,14.970343838581677,20.08381424485844,24.563025770982907,30.18270310158092,37.96906016761334,47.421907776650215,0.0,0.0,0.0,2.0597711487490895,2.597411394926325,2.956662873152089,3.295888153634973,3.4658377246749903,3.465113536775133,3.1382756787947113,0.0,0.0,0.0,176.6115070737156,330.540775652572,467.4308714784315,583.7815225331467,742.9770141326901,981.637051941399,1305.2310528967084,0.0,0.0,0.0,2.466049242424242,3.3847500666300485,4.327180032895835,5.271150247781229,6.218951453751188,7.045689012835129,7.058444873210634,0.0,0.0,0.0,0.42791113636363654,0.5495351260145233,0.6324672424622243,0.7107025458287851,0.7576501814103588,0.7736558232801427,0.722784755016769,0.0,0.0,0.0,381.0301593857403,150.5104252027127,9.240304406988669,140.82706123507145,-55.6279872981947,-8.554166060877355,240.20309815066886,206.1384125009074,17.794470467866024,0.7301425453737312,0.28841303570287385,0.01770657574881539,0.2698574546262688,-0.1065961820591819,-0.01639177484351208,198.84333994974733,78.54495217074422,4.822119575521345,73.49161876433125,-29.029866840165703,-4.464053325258334,0.07500175556305197,0.164955491778171,1.1697306820635172,10.738389478189156,521.8572206208117,0.0,1.0,0.0,372.4894148768997,19.299984841364505,7.195118958220815,527.481992185502,22.966976121934337,8.079836002258588,598.4971077533479,24.464200533705323,8.427278607190036,1.892595980395405,1.5262909708454888,483.5382822366555,439.57104756363094,80.20393843564618,1.100023045004255,6.028859575576026,5.480666612355113,4.019056751209274,4.466158665423345,7.636289769507168,0.7098115722190376,4.462408854974313,5.691185732623538,2.5234730620107624,22.078280650048548,7.83996114931167,5.513492166575516,6.198358568034702,8.891993466889733,6.032234780543488,2.422975434585965,2.9103981948879194,0.07393792075551921,1.5448121141540434,1.2676776947548,3.597159703075308E-6,7.995820946993893E-33,3.428011782949732E-81,2.8346370330024104E-151,4.5209375932365845E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.37449905302650016,5.690851887141513,0.1618955819688277,6.467581135376186,1.0463051040475557,0.17164469115268077,0.531568745116384,0.42095604458846736,2.0691018089973174,0.054172638633085406,0.02295340285819429,0.008212693934661753,0.12788021924852108,0.008928357656186419,2.5335089911548482E-8,5.631522071025826E-35,2.414376727967612E-83,1.9964580398341465E-153,3.1841333124917024E-245,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2089285947484623,5.6908748253212895,0.555487360434555,8.25278778907686,1.5090351008589207,0.7458050860034638,1.4109230375691522,1.5330256753242333,2.611946212961767,0.27316883845698015,0.2192550555687888,0.012653829285562027,0.41397604847677755,0.09304037057739807,2.640111703353308E-7,5.868480190642837E-34,2.5159666999664363E-82,2.0804632052311433E-152,3.3181124095851594E-244,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.2121499461378855,5.691149302173868,2.3476059899832973,20.62688193037858,7.097177789260222,5.003844943282458,5.753321569057169,8.155110881193526,5.6954717618712145,2.1843781519024548,2.5945695974127587,0.06673928795197867,1.4569612054252172,1.12947800333732,3.2050045338226384E-6,7.124132510669613E-33,3.0542967822525127E-81,2.525610562896957E-151,4.028074002681864E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7817383159537936,5.690903994497442,0.851940352839191,9.894342238631761,2.1010394754562456,1.2932259548543243,2.0969256190011945,2.479641443707641,3.06360708673039,0.5020463919686233,0.47072576851879583,0.01836732882042509,0.6113012809731717,0.20209611756506735,5.734675408907019E-7,1.2747123159293762E-33,5.465015872472587E-82,4.519044087044184E-152,7.207383541790543E-244,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.389004951648261,5.691338776655143,3.2101605121525614,28.01501292988854,10.961301979109855,7.607841309789798,7.957538364912888,11.86819188947952,7.386008805026437,3.4126478317294042,4.237662993690927,0.10419617095172215,1.8713418037266687,1.8487887794562339,5.2461193602085865E-6,1.1661153391361632E-32,4.999433015493015E-81,4.134051708987146E-151,6.593362594909712E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.7652151677714762,4.950965967253947,1.2353748365409896,12.665352112388193,3.6236769241680924,2.5310537636358266,3.2176849336957316,3.928312032843585,4.191038530588704,0.9324086199443453,1.0282012067593487,0.03411054984509567,1.0731195948450742,0.4435991774543683,1.258756142873407E-6,2.7979821762541625E-33,1.1995661148826282E-81,9.919261508066362E-152,1.5820142659133782E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.077399274926847,1.103250795434053,0.5845031244588126,0.7505224388436272,0.16307846454664857,0.5086134980227999,0.4354012784524957,0.4357064366476979,6.765153194819713,9.214254066111854,19.253586142093198,0.6257836582654409,1.3797212131229935,4.20910625980642,0.6208368483086932,0.1810932307123141,0.8399672193938515,0.12389390264409215,0.3496271512130694,0.1374569344229527,0.04208188562077112,5.011036338827427,3.4878382661398515,8.972101688386742,0.7599508290907773,0.5291659712567932,4.568598600379952,0.8207792593460543,0.3482120918004715,0.796257424977622,0.14305296584111718,0.41182158991121964,0.24061513212040123,0.15519470390996393,5.737589951526477,5.626457513507617,12.669776988658619,0.694386137466433,0.8076314259415848,5.0573216620250365,1.0921145756906045,0.5751836758893399,0.7520605962863814,0.16240539833055578,0.5045990920330428,0.42663455979033027,0.42198309470792894,6.724619913604981,9.06023004090977,18.961689881645636,0.6280908944295721,1.3532167465313019,4.722444579484886,0.9062497050468985,0.4196868975357512,0.7807782673298047,0.14983343108959157,0.4400041820874155,0.2934931261249665,0.22519828167138597,6.048381182067535,6.642003248710862,14.486524324825016,0.6711674009947071,0.9586955898837679,5.1398244189779865,1.1378703816736628,0.6134767448112991,0.7458564026550718,0.16512001974799492,0.5211974460094161,0.4632245503707771,0.4797611799509737,6.8911715454629485,9.699673744580684,20.17873579579806,0.6187846039826077,1.464183176331167,5.075117167720432,1.094685997588508,0.5759271506367333,0.7523451027568924,0.16227835183402906,0.5081560552454697,0.42861950906922136,0.42261890128818225,6.745730315945673,9.109016856610479,19.05440243326828,0.6285176541353387,1.3593944656028734 +UMLCN0435,L,n-Propylcyclopentane,CCCC1CCCC1,Naphthenes,,C8H16,Kubic (2016),Unknown,PubChem,,37,0,-0.3519999999999994,0.1239039999999996,30.791700000000002,24.74868799999998,0,0,24,8,16,0,8,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1170.3699919999983,1347.8263759999995,1670.7343049999981,1161.4113889999967,851.7122920000004,525.7610420000001,141.39216000000002,12.192768000000001,0.0,3885.4751248895254,5223.9210759229345,7533.504306737892,6888.974309410317,4983.479756197454,3502.8840423556744,1769.0410523237906,373.00493317116315,0.0,167.81955200000002,174.20624000000004,341.85978000000006,467.8190599999998,387.5055519999999,270.84922400000016,205.54560000000012,80.62156799999998,0.0,29.425006477583977,40.127908960000006,62.50794544364105,64.25416787577211,47.6540991551681,34.069242772131005,20.02770119697999,5.335354858188001,0.0,3973.0372811079847,3464.3156121264005,7399.084504415243,11017.832659367576,9486.99324339397,6523.229959472932,5229.578517613981,2219.011824290988,0.0,35.27777777777778,43.33333333333333,74.25,90.66666666666666,72.5,54.0,37.0,12.0,0.0,48.76541633333326,56.159432333333314,34.80696468749996,17.33449834328353,15.209148071428578,13.481052358974361,4.713072,1.016064,0.0,161.8947968703969,217.6633781634556,156.94800639037274,102.820512080751,88.99070993209739,89.81753954758139,58.96803507745969,31.083744430930263,0.0,6.992481333333334,7.258593333333335,7.122078750000001,6.982374029850743,6.9197419999999985,6.9448518974359015,6.851520000000004,6.718463999999998,0.0,1.2260419365659991,1.671996206666667,1.3022488634091884,0.9590174309816734,0.8509660563422875,0.8735703274905386,0.667590039899333,0.4446129048490001,0.0,165.54322004616603,144.34648383860002,154.14759384198422,164.4452635726504,169.4105936320352,167.2623066531521,174.31928392046603,184.917652024249,0.0,1.4699074074074074,1.8055555555555554,1.546875,1.353233830845771,1.2946428571428572,1.3846153846153846,1.2333333333333334,1.0,0.0,0.03288815741169618,-0.0016376267181963332,-0.011866080952330358,-0.011975589601092074,0.008087382110566655,-0.005059162845510633,-0.0012547917576284113,0.007261791058343069,0.0,645.6853813333338,6.465938895416912E-13,-201.7766816666661,-269.0355755555551,107.61423022222166,-121.06600900000029,-5.009326287108706E-13,161.421345333333,0.0,1200.6795383425201,0.0,-375.21235573203774,-500.2831409760512,200.1132563904202,-225.12741343922255,1.4210854715202004E-13,300.16988458563026,0.0,0.12648533333333326,2.9351521213527576E-15,-0.039526666666663705,-0.052702222222222095,0.021080888888887157,-0.023716000000000705,-1.8344700758454735E-15,0.03162133333333184,0.0,5.367596185861331,1.2156942119645464E-14,-1.677373808081655,-2.2364984107755586,0.8945993643102149,-1.0064242848490028,-7.13318293321663E-15,1.3418990464653273,0.0,29.156867671727976,-1.1368683772161603E-13,-9.111521147415106,-12.148694863219987,4.859477945288058,-5.466912688448964,6.994405055138486E-14,7.289216917932049,0.0,1.8287037037037026,-0.34722222222222243,-0.5185185185185192,-0.5148533950617293,0.6172839506172842,-0.25636574074074125,-0.28587962962963026,0.3912037037037039,0.0,0.0013703398921540075,-6.823444659151389E-5,-2.472100198402158E-4,-1.7874014329988169E-4,1.4441753768869027E-4,-1.2972212424386238E-4,-4.182639192094704E-5,6.051492548619224E-4,0.0,26.903557555555576,2.694141206423713E-14,-4.203680868055543,-4.015456351575449,1.9216826825396727,-3.1042566410256485,-1.6697754290362355E-14,13.451778777777749,0.0,50.028314097605005,0.0,-7.8169240777507865,-7.466912551881361,3.5734510069717893,-5.772497780492886,4.736951571734001E-15,25.01415704880252,0.0,0.005270222222222219,1.222980050563649E-16,-8.234722222221605E-4,-7.866003316749566E-4,3.7644444444441354E-4,-6.081025641025822E-4,-6.114900252818245E-17,0.002635111111110987,0.0,0.22364984107755545,5.065392549852277E-16,-0.03494528766836781,-0.03338057329515759,0.015974988648396696,-0.025805750893564176,-2.3777276444055435E-16,0.11182492053877728,0.0,1.214869486321999,-4.736951571734001E-15,-0.1898233572378147,-0.18132380392865652,0.08677639188014388,-0.14017724842176832,2.3314683517128287E-15,0.6074347431610041,0.0,0.07619598765432094,-0.014467592592592601,-0.010802469135802482,-0.00768437903077208,0.01102292768959436,-0.006573480531813878,-0.009529320987654343,0.03260030864197532,0.0,-0.04979381172670792,-0.18040051322714667,-0.13043489744644587,0.1053881146681671,-0.09466419607762785,-0.030522640521835093,0.44160522387675766,0.0,1.001407044722743E-15,-0.15624999999999942,-0.1492537313432832,0.07142857142857101,-0.11538461538461557,-6.20652278267722E-16,0.49999999999999856,0.0,0.0,-0.15625000000000008,-0.14925373134328393,0.0714285714285715,-0.1153846153846154,9.468541279428746E-17,0.5000000000000003,0.0,2.3205474057751832E-14,-0.1562499999999884,-0.14925373134328332,0.07142857142856561,-0.11538461538461889,-1.1602737028875916E-14,0.4999999999999768,0.0,2.264876436060485E-15,-0.15624999999999897,-0.14925373134328385,0.07142857142857088,-0.11538461538461577,-1.06314747774894E-15,0.499999999999998,0.0,-3.899144414331335E-15,-0.15625000000000194,-0.14925373134328354,0.07142857142857233,-0.11538461538461472,1.919110141428704E-15,0.5000000000000038,0.0,-0.18987341772151922,-0.14177215189873443,-0.10085017948233542,0.14466546112115747,-0.0862706913339827,-0.12506329113924086,0.42784810126582323,0.0,1.488605627675636,1.3158035240856565,1.0460964837167424,0.7521179705675304,1.054393045308905,0.791181366521474,0.00425460468151999,0.0,1.4374999999999996,1.34765625,1.0942164179104477,0.7700892857142857,0.9951923076923075,0.7187499999999997,0.0,0.0,1.4375000000000007,1.3476562500000002,1.0942164179104477,0.7700892857142858,0.995192307692308,0.7187500000000004,0.0,0.0,1.437499999999999,1.3476562499999987,1.0942164179104468,0.770089285714285,0.9951923076923068,0.7187499999999996,0.0,0.0,1.4375000000000009,1.3476562500000009,1.0942164179104483,0.7700892857142863,0.9951923076923084,0.7187500000000006,0.0,0.0,1.4374999999999998,1.3476562499999996,1.0942164179104472,0.7700892857142857,0.9951923076923076,0.7187499999999998,0.0,0.0,1.6886075949367099,1.1136075949367092,0.9020971093897604,0.6550632911392409,1.2899707887049667,1.152911392405064,0.0,0.0,34.64041819408649,17.320209097043247,26.779528670628594,34.64041819408649,4.330052274260812,17.32020919909984,3.552713678800501E-15,0.1596507777211264,0.0199563472151408,-1.467813190735964,38.78435028534679,4.848043785668349,2.9264134576826644,34.64041819408649,17.320209097043247,26.779528670628594,34.64041819408649,4.330052274260812,17.32020919909984,3.552713678800501E-15,0.1596507777211264,0.0199563472151408,-1.467813190735964,38.78435028534679,4.848043785668349,2.9264134576826644,34.64041819408649,17.320209097043247,26.779528670628594,34.64041819408649,4.330052274260812,17.32020919909984,3.552713678800501E-15,0.1596507777211264,0.0199563472151408,-1.467813190735964,38.78435028534679,4.848043785668349,2.9264134576826644,34.64041819408649,17.320209097043247,26.779528670628594,34.64041819408649,4.330052274260812,17.32020919909984,3.552713678800501E-15,0.1596507777211264,0.0199563472151408,-1.467813190735964,38.78435028534679,4.848043785668349,2.9264134576826644,34.64041819408649,17.320209097043247,26.779528670628594,34.64041819408649,4.330052274260812,17.32020919909984,3.552713678800501E-15,0.1596507777211264,0.0199563472151408,-1.467813190735964,38.78435028534679,4.848043785668349,2.9264134576826644,34.64041819408649,17.320209097043247,26.779528670628594,34.64041819408649,4.330052274260812,17.32020919909984,3.552713678800501E-15,0.1596507777211264,0.0199563472151408,-1.467813190735964,38.78435028534679,4.848043785668349,2.9264134576826644,37.718714765091626,18.81248238254581,29.3567905742633,37.648402265091626,4.706050283136453,18.812482404775416,-0.0937500000000071,0.11902827374634645,0.014878534218293306,-1.7027153756676796,42.347603960991215,5.293450495123902,2.9967294739402353,0,11.899999999999999,12.100126148280118,-0.1512668254514728,0.04887539598437168,5.259996263136589,8.391630245407724,8.0,24.0,24.0,24.0,8.0,0.0,0.0,0.0,0.0,0.0,17.491311999999997,3.6567187002277057,3.180951317193065,2.5730242442087654,2.4598209946876772,2.0056788212484253,1.3819288730293862,1.190060160272322,0.8944387908248246,1.877259681288431,1.7241710785035242,1.5804459975703553,1.1132246031048014,0.7578639354190899,0.6948163274020975,0.5819956075951374,0.34146010665920035,3.6806130997111315,3.217776078693569,2.62142374962175,2.5108976211203236,2.0772034674243214,1.4885189740453557,1.308855919811793,1.0245187770544042,1.8186201190182838,1.655976006668752,1.501159024857824,1.0006681441094742,0.6219497304774961,0.5547587003507956,0.43076168863954184,0.17860305821700606,3.7856262593052454,3.3785275303945874,2.834266703361028,2.7348014887900622,2.379732630172399,1.9176140397123835,1.7784680891728573,1.5321270561320102,1.6482866448159328,1.4525836511201313,1.2596088867859314,0.6405899853511212,0.172849073237547,0.0893161427733831,0.08543630697756255,0.3879816944868811,3.698209366051107,3.244859415537342,2.657155351769668,2.5485718485520406,2.129370229972097,1.5649925595116343,1.3935289897419585,1.1168091374964741,1.78146401187839,1.6122857329828688,1.449902771662543,0.9264762810041389,0.5312606142931674,0.4611103296951636,0.3287396980988342,0.06803949494535998,3.8368169104510024,3.4557836861186657,2.9364938155407807,2.841861734879931,2.5182166629214797,2.103320642016001,1.9780391444545948,1.7449853059595695,1.5958746114710982,1.3884283102424047,1.1819903230671451,0.5192180797082249,0.01618292316794715,0.07411122750083882,0.2734676115280283,0.5997560899826435,3.6992621923125784,3.355402743618898,2.759134657462641,2.6104685390834423,2.248749545323745,1.7218779242129845,1.5569211983428994,1.2796041525061548,1.7445078780370606,1.5533335654711713,1.3219938743778192,0.7498905526501473,0.37081292871192434,0.28913627646558554,0.1402302159028218,0.1276735279423757,0,0,0,0,0,1,6,1,0,0.0,0.0,0.14433756729740646,0.10206207261596577,0.07216878364870323,0.0,0.0,0.14433756729740646,0.10206207261596577,0.07216878364870323,0.20412414523193154,0.0,0.0,0.0,0.20412414523193154,0.0,0.0,0.0,0.4330127018922194,0.6546479303772353,0.348461712529338,0.4330127018922194,0.6546479303772353,0.348461712529338,5.819990956308912,3.931851652578137,2.9391575887554255,2.1716682964502656,1.7072863961405214,0.696923425058676,0.348461712529338,0.14433756729740646,0.727498869538614,0.4914814565722671,0.3265730654172695,0.21716682964502657,0.15520785419459285,0.116153904176446,0.0871154281323345,0.07216878364870323,5.819990956308912,3.931851652578137,2.9391575887554255,2.1716682964502656,1.7072863961405214,0.696923425058676,0.348461712529338,0.14433756729740646,0.727498869538614,0.4914814565722671,0.3265730654172695,0.21716682964502657,0.15520785419459285,0.116153904176446,0.0871154281323345,0.07216878364870323,12.334622430286998,23.102694828841948,21.80392156862746,22.080000000000002,14.388435928143707,184.2260407185629,0.5139426012619582,0.9626122845350812,0.9084967320261441,0.92,0.5995181636726544,7.676085029940121,2.976700000000002,36.86599999999999,28.339935296877048,42.0099249311962,56.679870593754096,7.084983824219262,28.339935296878117,0.13242292505394143,0.01655286563174268,-1.6174036004109695,28.945934757206185,3.618241844650773,2.6923438170114835,64,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,6.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.29,0.0,8.932222222222222,0.0,0.0,0.0,1.111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.29,0.0,1.3935185185185186,0.0,0.0,0.0,1.111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.29,0.0,1.5216666666666667,0.0,0.0,0.0,1.111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.333333333333332,1.5416666666666665,0.2,2.29,0.2,1.111111111111111,5.7668333333333335,0.2222222222222223,0.29,0.6851851851851853,0.2222222222222223,0.29,0.6851851851851853,4.0,0.5,0.0,0.0,0.43333,0.7,0.43333,0.43333,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.125,0.125,0.0,4.0,0.5,4.0,0.5,0.0,0.0,-4.0,-0.5,0.0,0.0,7.89328,0.98666,7.89328,0.0,0.0,3.93185,0.49148,3.93185,0.0,0.0,-0.01785,-0.00223,0.06815,0.00852,0.20833333333333334,8.0,0,0,0,0,0,0,1.0,0.9182958340544896,1.2720552088742005,2.312907291846956,3.042481250360578,3.1531071683628116,3.0220552088742005,22.03910001730775,30.529325012980813,55.50977500432694,73.01955000865388,75.67457204070747,72.52932501298082,0.20028426271971758,0.2774407006980149,0.5044550073164534,0.6635782189891486,0.6877062065102751,0.659123211672695,3.6666666666666674,3.3129072918469564,2.272055208874201,1.542481250360579,1.4318553323583454,1.5629072918469564,0.20028426271971758,0.2774407006980149,0.5044550073164534,0.6635782189891486,0.6877062065102751,0.659123211672695,6.732876570223358,10.97798906805989,16.036788153928228,16.772071052013587,17.229306600736606,15.835470595432277,31.599000019230836,26.532081258052912,21.08972448045874,20.410526564393034,19.447992092655408,21.552130732261627,6.125,3.111111111111111,1.8,3,0,3,2.34,1.1272000000000009,0.0,1.9692593638364124,0.33333333333333337,0.0,7.383136998085741,4.242640687119286,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.089,0.084,0.23800000000000002,0.23299999999999998,3.8939999999999997,9.0,10.0,11.0,6.0,4.0,2.0,0.0,0.0,0.0,58.0,2.1972245773362196,2.302585092994046,2.3978952727983707,2.4849066497880004,1.9459101490553132,1.6094379124341003,1.0986122886681098,0.0,0.0,0.0,4.07753744390572,1.0,0.4,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.25,3.0,0.375,0,3.0,5.0,0.6666666666666666,1.0,0.44444444444444464,0.2222222222222222,0.125,0.08000000000000002,0.0,0.0,0.0,0.0,0.0,0.125,0.04938271604938274,0.04444444444444444,0.03125,0.04000000000000001,0.0,0.0,0.0,0.0,0.0,0.29007716049382715,17.320209097043247,26.779528670628594,34.64041819408649,4.330052274260812,17.32020919909984,0.1596507777211264,0.0199563472151408,-1.467813190735964,38.78435028534679,4.848043785668349,2.9264134576826644,0.0,134.5678770069335,4.0,3.5553480614894135,4.290459441148391,5.056245805348308,5.814130531825066,6.588926477533519,7.353081920515432,8.129469764784231,8.89604050162011,9.672374831572242,75.35607733583672,2.833213344056216,0.0,3.970291913552122,2.3978952727983707,5.2832037287379885,4.442651256490317,6.680854678790215,6.259581464064923,8.124743020385568,8.529319371214077,112.12520051199999,4.671883354666666,15.590105466466639,1.9487631833083299,0.0,0.0,0.0,67.0,5.0,4.491,34.0,1.3314365669581558,2.361972638460855,3.1656528955202536,3.943421757783575,5.142612315737431,6.137942021629724,7.4569141995849835,0.0,0.0,0.0,94.01800751347598,93.36179794462818,64.26725448579758,74.65076458827022,81.97005861538837,32.24280658906921,7.576702069287116,0.0,0.0,0.0,334.77091796280433,402.60884971913424,352.39315606594204,398.7867444531003,505.02501237092525,386.9397135324746,231.78881522327447,0.0,0.0,0.0,9.725938808133048,16.894697970646153,22.165032742574446,27.419903157386955,35.84073351208232,42.17351276979418,50.099009601000525,0.0,0.0,0.0,2.4701295196096003,3.2707688032971975,3.20031659375436,3.6659367722714653,4.777052743158451,4.2975204962096685,3.3154402834872343,0.0,0.0,0.0,188.35416036633137,358.8720752660103,516.1668495849079,658.1796564965022,850.6830485597707,1060.4605757465113,1378.9150651335374,0.0,0.0,0.0,2.494821346191056,3.75209801895399,4.370305690871125,5.3197636734193114,7.354286824424185,7.782652890869532,7.4569141995849835,0.0,0.0,0.0,0.5096380689139629,0.6871716774878595,0.6863101806318769,0.7889874138224764,1.0314054561475205,0.9511701349538713,0.7635880140375023,0.0,0.0,0.0,336.1887675444204,139.9999528940934,8.653614775114224,52.92808040612445,-22.040976614880936,-2.878615351306463,283.2606871382959,162.04092950897436,11.532230126420687,0.8639789546895914,0.3597889776077926,0.02223911614388402,0.13602104531040865,-0.05664359364280792,-0.007397817304668143,130.8167135432633,54.47634038337438,3.3672673046707096,20.59520781570414,-8.57651534613414,-1.120117731962421,0.07175061325566477,0.1564692163010559,0.8729987913758017,1.441778533338925,389.1168479505448,0.0,1.0,0.0,402.42370067720907,20.060501007632116,7.382914690231097,557.4162779858112,23.609664927436206,8.229874559223589,652.7942547031201,25.549838643387165,8.674786091902597,1.6150429332822096,1.6150429332822096,688.1689552995077,637.2749632372442,114.26386659973241,1.0798619041986697,6.022629688440102,5.577222110552459,4.545588214229168,4.466158665423346,8.815689176486606,0.9738862492138911,4.462408854970778,4.441412524113693,2.465209863704056,15.343418637779635,10.490597569035687,7.474689726555008,9.018920009132556,17.003118681690186,4.75823905173243,3.8703592299122764,5.589008985802657,1.8512783744080477,4.3033511573882,1.0892082722278946,1.3751914842333237,0.008931927400732847,0.03381129347474712,4.600464051627636E-21,1.2195452014768043E-61,6.235485923038872E-124,6.149199870429534E-208,1.16961470666E-313,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.37449905302297215,4.441098818864985,0.7661202386673094,5.349114402368794,0.7280497595114453,1.8682609147891776,0.5533906355993641,0.8345215024525862,0.2618660853847902,1.1762727039787868,1.234939164078617,0.09343336156157545,0.28497845007590805,0.018268677212960608,0.028956736149829475,6.309364001712387E-5,2.381357045326985E-4,3.240144447386875E-23,8.589356570462367E-64,4.391703720224774E-126,4.3309317478516465E-210,8.23769204E-316,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.208928594744933,4.441120411236254,1.0427356619458714,6.764280480776777,1.7453766659265202,2.4843247259537193,1.736267949114202,2.705343423611563,0.9246976069894767,1.6162326636460114,1.9184404762194198,0.3424221758506158,0.6734760199044283,0.10716632651537793,0.15044258603175106,6.560291236838906E-4,0.00248155764482399,3.376480330627129E-22,8.95077178929432E-63,4.57649387861084E-125,4.513164797854343E-209,8.584310207E-315,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.212149946134352,4.441378304885869,2.33635661361586,14.510511062331862,9.547871082567713,6.944563285637921,8.307821778536281,15.50756716262332,4.392772944429388,3.6665287881147774,5.249842765987888,1.7048119759510945,3.904614668122933,0.9777611553626133,1.2385401835209278,0.00795831412874841,0.030125253762941884,4.0989306453503195E-21,1.0865928183820123E-61,5.555705696592041E-124,5.478826377171733E-208,1.0421056464E-313,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7817383159502633,4.441147835499326,1.2534687937308262,7.921288767965353,2.7333612617263925,3.0641046893620745,2.710132874194522,4.4140621002979294,1.4554177434333595,1.950900942712547,2.448587800250388,0.5459544561820595,1.0683593622094827,0.2067035645952183,0.2793595368211101,0.0014245268282015873,0.005390274806737193,7.334166465802154E-22,1.9442272387796654E-62,9.94075624578637E-125,9.803197019931762E-209,1.864626886E-314,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.389004951644725,4.441556270255331,2.970495092028829,18.678301418501,14.37289083886997,9.649725786546785,11.870757235580252,23.114681681945275,6.213812437496447,4.669220088058514,6.927235655980937,2.437691489529365,5.95311156206145,1.5539457117187212,1.942730391676252,0.013025772133371236,0.049310593894377246,6.709344460451416E-21,1.7785920615777016E-61,9.093870197977555E-124,8.968030099545777E-208,1.7057731274E-313,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.972766161968853,4.310319440194143,1.6351713222329987,10.274214753491037,5.2527767523015,4.3133528855580465,4.980177525482673,8.653044657185614,2.613162818129921,3.0430795689606036,3.827436407052966,1.0045147199749123,2.1649806792653594,0.5115211927312242,0.6606898463701201,0.0037590787612238187,0.014225935019323847,1.9356225666453753E-21,5.1311763042413395E-62,2.6235499573925426E-124,2.5872455261997164E-208,4.9210962093E-314,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.3712146178435045,1.2377756519211398,0.7682645710643254,0.7605372808752995,0.14775432709632788,0.5179560107286604,0.3613180130364392,0.4293480921050061,8.37725484082897,13.7318519729641,28.16774441998182,0.6408059213129493,1.3086221158701057,5.418923789220572,0.7367013057251075,0.28280656685028926,0.8416527617082744,0.11442247808523114,0.3745458805193874,0.12837663174294744,0.058320368600590415,6.438431661795969,5.7329794310627165,13.300411172334536,0.7624791425624116,0.5612428808629253,5.797057759761758,0.9357477491368172,0.47566378766888934,0.8042009366013678,0.12981226813054506,0.4286997274342643,0.20686909526910066,0.16483262461016843,7.208469296567465,8.627135520313844,18.415882870082388,0.7063014049020518,0.8004014473135335,6.347630430117767,1.2253738854044438,0.756250726091471,0.7620886139762144,0.14711686450737424,0.5141226546834896,0.35413924729161605,0.4160517100963466,8.329255041613681,13.505310575572404,27.71685056585477,0.6431329209643216,1.2843136120714522,5.965645103935369,1.0244550062003055,0.5616066545476877,0.7899730868569423,0.13565873757060007,0.45402830572331193,0.24781851134981714,0.22967850645813315,7.551706764683362,10.03722172974765,21.021207215406086,0.6849596302854135,0.9315253235312623,6.445052843146923,1.2766012665760489,0.8058752870717385,0.7557936822322139,0.14970353160622255,0.5300502025689933,0.38425485490387246,0.47231991903561604,8.52752939679471,14.450452845052595,29.608532807382595,0.6336905233483208,1.3866249765084817,6.3698409123199955,1.227439429555615,0.758809276137266,0.7622992576083428,0.14689160668043516,0.5177397159056679,0.355326385571417,0.41874805097222595,8.356089618012875,13.583480692608587,27.87239188508807,0.6434488864125141,1.2918141524493107 +UMLCN0436,L,"2,2-Dimethylhexane",CCCCC(C)(C)C,Alkanes,,C8H18,Kubic (2016),Unknown,PubChem,,40,0,1.0938999999999992,1.1966172099999983,35.7141,26.082273999999977,0,0,26,8,18,0,8,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1172.4021199999981,1227.7764309999995,1604.1881609999978,1268.2573729999976,899.295940000001,675.1054830000003,236.21673600000005,27.433728000000002,0.0,3947.6426137513863,5029.877406914641,7031.587075100362,7601.168051082481,5927.879110849879,4081.8196662596565,2624.766494426084,839.2610996351166,0.0,181.25648000000004,180.9009880000001,339.464772,444.9368840000002,556.2654879999999,311.9820600000001,249.04972800000021,181.39852800000006,0.0,30.314232287281975,39.56609758000001,58.49435701273505,69.16503030788601,60.10728458669515,39.08120729637604,28.04682986728198,12.004548430923007,0.0,4342.872585156482,3643.766351462201,7589.8551302833375,9960.21100815709,14046.344335377498,7574.6125756841775,6084.723595268683,4992.776604654723,0.0,42.3125,49.875,77.375,106.375,103.0,65.25,54.0,27.0,0.0,45.09238923076916,49.11105723999998,33.420586687499956,20.131069412698377,11.102419012345692,15.002344066666673,6.561576000000001,1.016064,0.0,151.83240822120717,201.19509627658564,146.4913973979242,120.65346112829334,73.18369272654172,90.70710369465904,72.91018040072456,31.083744430930242,0.0,6.971403076923078,7.236039520000004,7.07218275,7.062490222222225,6.867475160493826,6.932934666666669,6.918048000000006,6.718464000000002,0.0,1.1659320110493068,1.5826439032000004,1.2186324377653135,1.0978576239346987,0.7420652418110513,0.8684712732528009,0.7790786074244994,0.4446129048490003,0.0,167.033560967557,145.75065405848804,158.12198188090287,158.0985874310649,173.4116584614506,168.32472390409282,169.02009986857453,184.917652024249,0.0,1.6274038461538463,1.995,1.6119791666666667,1.6884920634920635,1.271604938271605,1.45,1.5,1.0,0.0,0.03553603891132294,-0.007787752673593434,0.00785631756289876,-0.03592367889598997,0.015800727373927022,0.002828614175959651,-0.015115395401951549,0.014573148403088078,0.0,670.519434461538,-58.02572028994015,75.21852630177565,-684.1304058875729,295.1431698698217,-15.04370526035512,-257.8920901775151,309.470508213017,0.0,1246.859520586465,-107.9013046661365,139.87206160425066,-1272.1697031624687,548.8313274376314,-27.974412320850302,-479.5613540717171,575.4736248860604,0.0,0.13135015384615364,-0.011366840236684102,0.01473479289940997,-0.13401644970413978,0.057816520710056336,-0.0029469585798821965,-0.05051928994082899,0.06062314792899172,0.0,5.57404219300985,-0.4823690359335298,0.6252931947286794,-5.687190485389304,2.453531392649613,-0.1250586389457376,-2.14386238192687,2.572634858312221,0.0,30.27828565910215,-2.6202362589608956,3.396602557911994,-30.892908979105403,13.327621465331436,-0.6793205115823894,-11.645494484269994,13.974593381124194,0.0,3.5408653846153855,-1.9888128698224863,2.4149408284023672,-3.9163276627218995,1.2332655325443815,1.3860022189349126,-2.220044378698224,1.3205436390532561,0.0,0.0013667707273585746,-3.1151010694373737E-4,1.6367328256039083E-4,-5.702171253331741E-4,1.9507070832008668E-4,6.285809279910336E-5,-4.1987209449865414E-4,5.397462371514103E-4,0.0,25.789209017751464,-2.321028811597606,1.5670526312869928,-10.859212791866236,3.6437428378990333,-0.3343045613412249,-7.163669171597642,11.461870674556186,0.0,47.95613540717173,-4.31605218664546,2.914001283421889,-20.193169891467758,6.775695400464586,-0.6216536071300067,-13.321148724214364,21.31383795874298,0.0,0.005051928994082832,-4.546736094673641E-4,3.0697485207104106E-4,-0.0021272452333990443,7.137842062969918E-4,-6.548796844182659E-5,-0.001403313609467472,0.0022453017751478416,0.0,0.21438623819268654,-0.01929476143734119,0.013026941556847487,-0.09027286484744927,0.030290511020365594,-0.0027790808654608356,-0.05955173283130195,0.09528277253008227,0.0,1.1645494484270058,-0.10480945035843582,0.0707625532898332,-0.49036363458897464,0.1645385366090301,-0.015096011368497541,-0.32348595789638873,0.5175775326342295,0.0,0.13618713017751483,-0.07955251479289945,0.05031126725838265,-0.062163931154315864,0.015225500401782489,0.030800049309664724,-0.061667899408284,0.04890902366863911,0.0,-0.22791687055352933,0.11975182031934963,-0.4172002764759072,0.1427237973534017,0.045990224652076875,-0.30720009295933653,0.39490620215032374,0.0,-0.08999999999999901,0.06076388888888933,-0.421075837742504,0.1412894375857336,-0.012962962962963048,-0.2777777777777783,0.4444444444444437,0.0,-0.0900000000000001,0.0607638888888888,-0.42107583774250323,0.14128943758573373,-0.012962962962963022,-0.2777777777777777,0.4444444444444442,0.0,-0.08999999999998202,0.06076388888889594,-0.42107583774249807,0.14128943758572718,-0.012962962962965357,-0.27777777777778145,0.4444444444444278,0.0,-0.08999999999999722,0.06076388888888989,-0.42107583774250296,0.14128943758573262,-0.012962962962963355,-0.2777777777777784,0.4444444444444415,0.0,-0.09000000000000455,0.06076388888888699,-0.4210758377425059,0.14128943758573545,-0.012962962962962376,-0.27777777777777624,0.4444444444444484,0.0,-0.5841412084181943,0.3694274722787961,-0.4564596601256485,0.11179837905341436,0.2261597646526365,-0.45281737949762363,0.3591310251188055,0.0,1.7632836322169063,0.9408207022707896,1.5932798740884242,0.6033264282506198,0.8819222869937587,1.3006512083613206,9.24560734024695E-5,0.0,1.625000000000002,1.1284722222222237,1.5762786596119953,0.6129972565157759,0.9027777777777789,1.1284722222222237,0.0,0.0,1.6249999999999982,1.1284722222222208,1.5762786596119909,0.6129972565157743,0.9027777777777769,1.128472222222221,0.0,0.0,1.6250000000000002,1.128472222222222,1.5762786596119929,0.612997256515775,0.9027777777777778,1.128472222222222,0.0,0.0,1.6249999999999991,1.1284722222222217,1.5762786596119907,0.6129972565157747,0.9027777777777773,1.1284722222222217,0.0,0.0,1.6249999999999991,1.1284722222222217,1.5762786596119909,0.6129972565157747,0.9027777777777772,1.1284722222222217,0.0,0.0,2.188730482009504,0.47804933242815106,1.7475942628692116,0.5420616362005816,0.6619144602851322,1.7651052274270191,0.0,0.0,36.82652663973883,18.413263319869404,28.381300597339667,36.826526639738816,4.603315829967352,18.41326334953419,-1.7763568394002505E-14,0.1554072064538729,0.019425900806734113,-1.4893651748374124,34.423303580260125,4.302912947532516,2.830987011748944,36.82652663973883,18.413263319869404,28.381300597339667,36.826526639738816,4.603315829967352,18.41326334953419,-1.7763568394002505E-14,0.1554072064538729,0.019425900806734113,-1.4893651748374124,34.423303580260125,4.302912947532516,2.830987011748944,36.82652663973883,18.413263319869404,28.381300597339667,36.826526639738816,4.603315829967352,18.41326334953419,-1.7763568394002505E-14,0.1554072064538729,0.019425900806734113,-1.4893651748374124,34.423303580260125,4.302912947532516,2.830987011748944,36.82652663973883,18.413263319869404,28.381300597339667,36.826526639738816,4.603315829967352,18.41326334953419,-1.7763568394002505E-14,0.1554072064538729,0.019425900806734113,-1.4893651748374124,34.423303580260125,4.302912947532516,2.830987011748944,36.82652663973883,18.413263319869404,28.381300597339667,36.826526639738816,4.603315829967352,18.41326334953419,-1.7763568394002505E-14,0.1554072064538729,0.019425900806734113,-1.4893651748374124,34.423303580260125,4.302912947532516,2.830987011748944,36.82652663973883,18.413263319869404,28.381300597339667,36.826526639738816,4.603315829967352,18.41326334953419,-1.7763568394002505E-14,0.1554072064538729,0.019425900806734113,-1.4893651748374124,34.423303580260125,4.302912947532516,2.830987011748944,47.853909083950015,23.801954541975004,37.41143795995028,47.666409083950015,5.958301135493752,23.80195454208704,-0.25000000000000355,0.12977220415638102,0.016221525519547628,-1.633579713022078,75.72511441333468,9.465639301666835,3.4616878942542932,0,11.889999999999999,12.110114161591722,-0.1594488463880794,0.06179022227832248,5.205589227214691,8.747272600067037,7.0,25.0,25.0,25.0,7.0,0.0,0.0,0.0,0.0,0.0,19.677725999999996,3.5712525597504037,3.191579357642735,2.5447389901912683,2.3335527931030486,2.3335527931030486,1.8128247634587018,1.2541336190702883,0.464899437028652,1.9453839254758112,1.7193642255321513,1.3112243785188087,1.249629722584356,1.249629722584355,0.8664878353197752,0.5773530097020599,0.08392307051869051,3.5956123061637024,3.227979241044971,2.601081114267057,2.4054545878412874,2.405454587841287,1.8964699608963307,1.3683776887372407,0.569922725674963,1.8891205037383483,1.6443859628898463,1.2095774270256465,1.1345406859483513,1.1345406859483498,0.7365652788306817,0.42522435483506593,0.2709139018929367,3.704350319859184,3.3872193971325384,2.842426826391061,2.7042369872335197,2.7042369872335197,2.2436486675919407,1.8233428291609006,0.9663544424946298,1.7263571080747782,1.4187509424355076,0.8890181285592161,0.7603185604308988,0.7603185604308971,0.3084799807108995,0.09485581116326475,0.9439184268026216,3.61364831396694,3.2547688580970524,2.6423127464561538,2.4575399160416946,2.4575399160416938,1.9570996565677903,1.4500285207439245,0.6437036221812968,1.853519994606001,1.5961626288141941,1.1429529915718213,1.0582626705327114,1.0582626705327105,0.6499989876395099,0.32254088783672286,0.399277245508981,3.7581995228000604,3.4639429571353215,2.955034526400278,2.8389820851496492,2.838982085149649,2.399146567943629,2.0180704038117714,1.2076448229620886,1.676557494016503,1.3470533935916142,0.7824657765061704,0.6313372621875613,0.6313372621875608,0.15916648600054853,0.2846581694477725,1.1244151173864494,3.592511384174299,3.288705391369128,2.7103280524101803,2.6290382073779566,2.6290382073779557,2.021910217786221,1.5346770282354472,0.640305431389328,1.8648262489138037,1.5423460097733486,1.046084892963288,0.88358366192341,0.8835836619234098,0.5486135060486691,0.204748665847308,0.5818181818181807,0,0,0,0,0,4,3,0,1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5606601717798212,0.35355339059327373,0.0,0.0,1.5606601717798212,0.35355339059327373,0.0,0.0,0.75,0.7803300858899106,0.7071067811865475,0.75,0.7803300858899106,0.7071067811865475,6.621320343559642,3.560660171779821,3.664213562373095,1.2803300858899105,0.7071067811865475,0.5303300858899106,0.0,0.0,0.8276650429449552,0.5086657388256887,0.4071348402636772,0.2560660171779821,0.17677669529663687,0.17677669529663687,0.0,0.0,6.621320343559642,3.560660171779821,3.664213562373095,1.2803300858899105,0.7071067811865475,0.5303300858899106,0.0,0.0,0.8276650429449552,0.5086657388256887,0.4071348402636772,0.2560660171779821,0.17677669529663687,0.17677669529663687,0.0,0.0,12.876450234072873,24.99053168244719,23.52941176470589,23.84,15.18699041916167,200.51160119760482,0.49524808592587977,0.9611742954787381,0.9049773755656112,0.916923076923077,0.5841150161216027,7.711984661446339,3.2227000000000023,38.98,18.413263319869404,28.381300597339667,36.826526639738816,4.603315829967352,18.41326334953419,0.1554072064538729,0.019425900806734113,-1.4893651748374124,34.423303580260125,4.302912947532516,2.830987011748944,56,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.124722222222221,0.0,4.073680555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5515972222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2418055555555556,0.0,1.330625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5515972222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2943055555555554,0.0,1.3784722222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5515972222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.75,1.71875,0.2,2.2943055555555554,-0.0,0.5515972222222223,6.040535347222222,0.6984027777777777,0.29430555555555554,2.2494444444444444,0.6984027777777777,0.29430555555555554,2.2494444444444444,4.0,0.5,0.0,0.0,0.42308,0.7,0.42308,0.42308,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.5,0.0,0.125,3.5,0.4375,3.5,0.4375,0.0,0.0,-3.5,-0.4375,0.0,0.0,9.21764,1.15221,9.21764,0.0,0.0,3.56066,0.44508,3.56066,0.0,0.0,0.35334,0.04417,0.35334,0.04417,0.0,7.0,0,0,0,0,0,0,1.0,0.8904916402194915,1.3229959670593578,2.266431544481697,2.8237478904691224,2.5562625657620757,2.2706198355603413,23.15278264570678,34.3978951435433,58.92722015652412,73.41744515219719,66.46282670981397,59.03611572456887,0.1894485821789581,0.2814621708588936,0.4821743667373346,0.6007412199269401,0.543834772712076,0.483065409135449,3.809948077921601,3.377443751081735,2.4340081736593957,1.8766918276719702,2.144177152379017,2.4298198825807513,0.19175693730143042,0.2848916747190522,0.48804946834317076,0.6080610111671231,0.5504611816771356,0.4889513677361508,6.648700044059478,11.838751966137876,16.171777639605022,14.723202873951717,13.565851827376642,12.201532872784345,31.725216152945546,24.137207276979716,21.001340785403762,22.665118451004613,25.17010226129509,17.61068002282231,8.0,3.111111111111111,7.2,8,0,6,2.34,1.2358000000000005,1.8973665961010278,4.669630297356063,0.0,2.8284271247461903,2.381101577952299,0.0,1.6509636244473134,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.136,0.111,0.04800000000000004,0.019000000000000017,3.3539999999999996,9.0,5.0,4.0,3.0,0.0,0.0,0.0,0.0,0.0,36.0,2.0794415416798357,2.302585092994046,1.791759469228055,1.6094379124341003,1.3862943611198906,0.0,0.0,0.0,0.0,0.0,3.6109179126442243,1.0,0.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.42857142857142855,7.0,1.0,0,3.0,5.0,0.6666666666666666,3.0,0.666666666666667,0.375,0.2400000000000001,0.0,0.0,0.0,0.0,0.0,0.0,0.42857142857142855,0.07407407407407411,0.075,0.060000000000000026,0.0,0.0,0.0,0.0,0.0,0.0,0.6376455026455027,18.413263319869404,28.381300597339667,36.826526639738816,4.603315829967352,18.41326334953419,0.1554072064538729,0.019425900806734113,-1.4893651748374124,34.423303580260125,4.302912947532516,2.830987011748944,0.0,146.92433570773346,4.0,3.4965075614664802,4.110873864173311,4.9344739331306915,5.579729825986222,6.408528791059498,7.065613363597717,7.894690850425624,8.556990661290303,9.385721231090805,72.43313008222066,2.70805020110221,0.0,3.9318256327243257,0.0,5.303304908059076,0.0,6.736966958001855,0.0,8.201111644442758,8.46779284112111,114.14085057599999,4.3900327144615385,14.440482950922028,1.8050603688652536,0.0,0.0,0.0,71.0,5.0,4.868,32.0,1.2277999999999998,2.1164011942738647,2.9185879444095177,3.4650076282464735,4.405258471145167,5.484764115759332,6.1384809656656945,0.0,0.0,0.0,71.22212779891997,80.92015264486237,64.93105718506017,47.5169844807697,79.38511742199515,38.05173505783651,6.237089523898147,0.0,0.0,0.0,272.54988247666296,339.06966778364745,368.8246048391156,281.86801268485823,446.8544443152807,415.45538994156857,190.80697353088237,0.0,0.0,0.0,8.919363222559998,15.033116632035934,20.64646756449971,23.869825244042556,30.685957209064856,38.018110556663984,41.241163382510194,0.0,0.0,0.0,2.081648384261599,2.7561287197877333,3.3031315667840833,2.7513564930115773,4.142634869198198,4.397490144879352,2.7292478535049183,0.0,0.0,0.0,176.77647004622915,329.94022092017843,459.0385968169517,595.4077813567062,730.563827473465,921.1211795733697,1135.1134871664447,0.0,0.0,0.0,2.497184999999999,3.5686581608167693,5.0018837818776065,4.544397236261223,6.732779766183589,8.413155911802836,6.1384809656656945,0.0,0.0,0.0,0.43219890000000016,0.5797816549351361,0.7053092393495856,0.5988034607588866,0.8921480946765843,0.9645865565893418,0.628580450884167,0.0,0.0,0.0,391.53813231352865,172.2832130000335,9.446494739979865,156.45704101037975,-68.84366935724606,-9.45608836948643,235.0810913031489,241.12688235727956,18.902583109466295,0.7144919360121784,0.31438819425185066,0.017238280918938385,0.2855080639878214,-0.12562824037239104,-0.017255787696321797,214.56100668007156,94.41036916875319,5.176633522338656,85.73770330622891,-37.7259985216779,-5.181890785002912,0.061439736672218845,0.14834913227829302,0.9758860849748274,9.657336921513291,547.9951733239085,0.0,1.0,0.0,434.5709840230496,20.84636620668095,7.574493114672902,608.9376334952268,24.67666171699946,8.475999811250391,748.8234175655314,27.36463808577653,9.080849383811957,1.7973393312285617,1.7973393312285617,558.7789879006666,550.8463865334749,129.4780730314559,1.0144007504834738,4.315626382274894,4.254360399692156,4.3365445530568785,4.466158665423345,7.636289769507168,0.7098115722190376,5.02020996184643,6.639770612305021,3.078537103379816,25.09560717022069,6.098100219842787,6.420934496996803,6.785246272270023,14.297319638125222,5.763973498140239,4.7204570438083335,4.717288053248353,0.74757503559489,2.3597662927189065,1.2676778422388053,3.597159703075308E-6,7.995820946993893E-33,3.428011782949732E-81,2.8346370330024104E-151,4.5209375932365845E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4213114346551427,6.639327565413059,0.17378353080289743,9.630483387116552,1.0412566121060534,0.18059125201389872,0.4813506215860349,0.6966647560206984,2.0947063038276976,0.15621369572537833,0.1302019994230974,0.01297894416420349,0.13362000816311428,0.008928358694928326,2.5335089911548482E-8,5.631522071025826E-35,2.414376727967612E-83,1.9964580398341465E-153,3.1841333124917024E-245,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3600446690923496,6.6393578793868215,0.6167244542944699,11.75333883210335,1.3997408532477371,0.8189714595513872,1.3142316781874046,2.500080953926028,2.6079832327637833,0.6619292970867264,0.5947171918281763,0.062150910878496245,0.47378907436735285,0.09304038140188962,2.640111703353308E-7,5.868480190642837E-34,2.5159666999664363E-82,2.0804632052311433E-152,3.3181124095851594E-244,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.738668689405451,6.639722220352428,2.847651788028805,23.783081671692223,5.550182167571433,5.814119246487749,6.238759140702804,13.120564402776754,5.455961186302019,4.290352539743752,4.269560292344197,0.6669528186318995,2.1830707064643513,1.1294781347429135,3.2050045338226384E-6,7.124132510669613E-33,3.0542967822525127E-81,2.525610562896957E-151,4.028074002681864E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0044556054483476,6.6393965402505355,0.965322037429801,13.517600644704014,1.845872048326138,1.4458649171658453,2.02074431716502,4.026904420438982,3.0303155857564485,1.1355587264847393,1.05368153355293,0.12582803579571117,0.7412231658204428,0.20209614107730944,5.734675408907019E-7,1.2747123159293762E-33,5.465015872472587E-82,4.519044087044184E-152,7.207383541790543E-244,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.062630570604622,6.639973935207335,3.9936453127605813,30.370593260966704,8.397413258975282,8.922925756736992,8.990954091914864,19.045051662278684,6.999078908058461,6.4840317004721335,6.5645357881285475,1.08656158919485,3.0598758824880052,1.8487889945477947,5.2461193602085865E-6,1.1661153391361632E-32,4.999433015493015E-81,4.134051708987146E-151,6.593362594909712E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1155727278386216,5.418217405455764,1.31204409369535,17.131715266739267,2.780460652576818,2.757057473688179,3.0447191303038874,6.676754046565565,3.8085009713294857,2.0362596476968875,2.0224999393405874,0.2611278943399006,1.3139759842898178,0.42912466461240917,1.2176831523798726E-6,2.7066845123047092E-33,1.1604244845423223E-81,9.595597757998241E-152,1.5303934199914914E-243,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.099727857016371,1.1004128585153488,1.0218950879849311,0.7061343914320035,0.15236879024879948,0.5139508686348456,0.4714144978549441,0.4638435639347879,7.222035803516651,11.94769945080698,24.904412351619694,0.5592015871480054,1.4492089304245774,4.294087041005758,0.6028930260943357,0.5323452556127455,0.790906196584322,0.11104382041212658,0.3653081422256803,0.1417861343565046,0.12587679814969954,5.429325322712839,5.195759236015352,12.00325995180476,0.6863592948764831,0.6329710747318844,4.62604802674698,0.8080423862643492,0.7341179841896831,0.7499824469040592,0.13100114883132352,0.4234978853100736,0.2545241109504372,0.23938153006330526,6.1682083972010116,7.727306386410473,16.63967929226794,0.6249736703560889,0.917403526323816,5.080949681101618,1.0888298075851415,1.0104894845926868,0.707626650200681,0.15164192478542207,0.5101988639900834,0.4615693576530428,0.45354721938543113,7.180268973279446,11.766786759197274,24.537376061191345,0.5614399753010215,1.4253154410285573,4.7687956417672295,0.8961932763208992,0.8208581144962148,0.7352618120361468,0.1381767519058807,0.4498378958662173,0.3129746512600201,0.29929199636940657,6.485847032584343,8.923914712243972,18.917914446506597,0.6028927180542202,1.062104543495644,5.158158538780033,1.1364512636012463,1.0573836715963463,0.7015999887700296,0.15457729493690583,0.5257134776448632,0.502704884421054,0.4966198918064709,7.351993473977625,12.517813413360397,26.06818551785976,0.5523999831550443,1.525038253872388,5.094696684041458,1.0909592999892195,1.0138176233030567,0.7076484979195912,0.1515332036050407,0.5129134998033144,0.4633245366760756,0.45653973709872203,7.199473607333735,11.82923377637958,24.663613936839365,0.5614727468793869,1.432777773578112 +UMLCN0437,L,"2,2-Dimethylheptane",CCCCCC(C)(C)C,Alkanes,,C9H20,Kubic (2016),Unknown,PubChem,,49,0,0.8058999999999985,0.6494748099999976,38.6257,29.175859999999968,0,0,29,9,20,0,9,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1318.698368999998,1396.2547279999994,1797.8966979999975,1465.0141019999971,1096.0526689999942,871.8622120000002,675.1054830000003,236.21673600000005,27.433728000000002,4433.327004362573,5682.8675414050085,7945.134186762696,8607.966396037613,6934.677455805001,5088.6180112147695,4081.8196662596565,2624.766494426084,839.2610996351166,202.2339240000001,202.6767680000001,382.19428,507.8217840000002,619.1503880000001,374.86695999999995,311.9820600000001,249.04972800000021,181.39852800000006,33.992358096979984,44.58208620000001,66.18204715758402,78.18655916728194,69.12881344609109,48.10273615577209,39.08120729637604,28.04682986728198,12.004548430923007,4839.502245294981,4076.805802978001,8514.057329249186,11439.166163195687,15525.299490416095,9053.567730722774,7574.6125756841775,6084.723595268683,4992.776604654723,46.5625,55.125,86.625,118.625,115.375,76.0,65.25,54.0,27.0,45.472357551724066,49.86624028571426,33.29438329629625,20.347418083333295,12.178362988888825,16.145596518518524,15.002344066666673,6.561576000000001,1.016064,152.87334497801973,202.95955505017886,147.13211456967954,119.55508883385573,77.05197173116667,94.23366687434758,90.70710369465904,72.91018040072456,31.083744430930242,6.9735835862068996,7.238456000000004,7.077671851851852,7.0530803333333365,6.879448755555557,6.94198074074074,6.932934666666669,6.918048000000006,6.718464000000002,1.1721502792062064,1.5922173642857147,1.2255934658811856,1.085924432878916,0.7680979271787899,0.8907914102920758,0.8684712732528009,0.7790786074244994,0.4446129048490003,166.87938776879244,145.60020724921432,157.6677283194294,158.87730782216232,172.50332767128995,167.65866168005138,168.32472390409282,169.02009986857453,184.917652024249,1.605603448275862,1.96875,1.6041666666666667,1.6475694444444444,1.2819444444444446,1.4074074074074074,1.45,1.5,1.0,0.03975899944842357,-0.007785033669123375,0.005763874291010289,-0.035911027612342675,0.015167740319272233,6.090433264715666E-4,0.002818287943474918,-0.015115532176455842,0.014573147853481096,751.4441937931031,-57.58193055885779,36.85243555766999,-688.3919798311522,302.1611806076091,-13.24384402853766,-13.819663334126256,-256.5275006397146,314.82920533055807,1397.3425661744839,-107.07605871068859,68.52867757484039,-1280.094281886284,561.8816180843384,-24.62749350345832,-25.698254090565182,-477.02384155611753,585.4383510006899,0.14720275862068952,-0.011279904875145689,0.007219139120097412,-0.1348512627823991,0.0591913008323393,-0.0025943781212847024,-0.0027071771700362506,-0.05025197621878781,0.06167287990487246,6.246771423200696,-0.4786798025440945,0.30635507362824915,-5.722617039414858,2.511872263850217,-0.11009635458515027,-0.11488315261059129,-2.1325185203340338,2.6171818204099258,33.932561514511015,-2.6001962846371285,1.6641256221673735,-31.085346582833907,13.644530003632191,-0.5980451454664361,-0.6240471083127942,-11.583874448057133,14.216573186252262,3.7155172413793136,-1.9623959571938165,2.314209274673009,-3.81740487514863,1.2945154577883455,-0.10604934601664734,1.372473246135553,-2.207193816884659,1.254087395957193,0.0013709999809801232,-2.780369167544062E-4,1.0673841279648683E-4,-4.987642723936483E-4,1.685304479919137E-4,1.1278580119843825E-5,6.262862096610929E-5,-4.1987589379044004E-4,5.397462167955961E-4,25.911868751486313,-2.056497519959207,0.6824525103272221,-9.560999719877113,3.3573464511956566,-0.24525637089884555,-0.30710362964725013,-7.125763906658739,11.660340938168817,48.18422641980979,-3.8241449539531636,1.2690495847192664,-17.779087248420613,6.243129089825982,-0.4560646945084874,-0.5710723131236707,-13.250662265447708,21.68290188891444,0.00507595719381688,-4.0285374554091747E-4,1.3368776148328543E-4,-0.0018729342053110986,6.576811203593255E-4,-4.804403928305004E-5,-6.015949266747223E-5,-0.0013958882282996614,0.0022841807372174987,0.21540591114485158,-0.01709570723371766,0.005673242104226837,-0.07948079221409525,0.02790969182055797,-0.0020388213812064866,-0.0025529589469020287,-0.05923662556483427,0.09693266001518243,1.1700883280865868,-0.0928641530227546,0.030817141151247656,-0.43174092476158205,0.15160588892924656,-0.011074910101230297,-0.013867713518062093,-0.3217742902238092,0.5265397476389727,0.12812128418549357,-0.07008556989977917,0.04285572730875943,-0.05301951215484208,0.014383505086537173,-0.001963876778086062,0.03049940546967896,-0.0613109393579072,0.04644768133174789,-0.20279862918425323,0.07785442325110749,-0.3637959732407023,0.12292520082416913,0.00822653557717835,0.045680978727174235,-0.30625521489086543,0.39368798270130784,-0.07936507936507843,0.02633744855967119,-0.368981481481481,0.12956790123456757,-0.009465020576131838,-0.011851851851852042,-0.27500000000000013,0.44999999999999907,-0.07936507936507949,0.026337448559670705,-0.36898148148148263,0.1295679012345681,-0.009465020576131682,-0.011851851851851834,-0.27500000000000036,0.45000000000000073,-0.07936507936505872,0.026337448559679153,-0.36898148148147414,0.1295679012345611,-0.009465020576133581,-0.011851851851854396,-0.2750000000000038,0.4499999999999808,-0.07936507936507603,0.02633744855967214,-0.3689814814814794,0.12956790123456666,-0.009465020576132023,-0.011851851851852242,-0.2750000000000004,0.44999999999999635,-0.07936507936508758,0.026337448559667354,-0.36898148148148446,0.12956790123457046,-0.009465020576131028,-0.011851851851850862,-0.27499999999999813,0.4500000000000074,-0.547025190586675,0.3344934261407578,-0.4138228280484655,0.11226475895849422,-0.015328263298100945,0.23805104408352654,-0.4785382830626442,0.3625290023201851,1.7352559363658426,1.0021302984901925,1.5193117071577595,0.646465895172421,0.9095414482796067,0.8830091805867958,1.3020076091494803,9.25525749475863E-5,1.611111111111113,1.169547325102882,1.5037037037037055,0.6516049382716057,0.9189300411522645,0.9022222222222231,1.1277777777777789,0.0,1.6111111111111123,1.1695473251028814,1.5037037037037044,0.6516049382716054,0.9189300411522641,0.902222222222223,1.1277777777777787,0.0,1.6111111111111103,1.1695473251028798,1.5037037037037033,0.6516049382716045,0.9189300411522627,0.9022222222222217,1.127777777777777,0.0,1.6111111111111098,1.1695473251028798,1.5037037037037009,0.6516049382716044,0.9189300411522626,0.9022222222222214,1.1277777777777769,0.0,1.611111111111111,1.1695473251028803,1.503703703703702,0.6516049382716047,0.9189300411522634,0.9022222222222219,1.1277777777777773,0.0,2.153132250580045,0.5233307553493164,1.684470868780612,0.5521139468935288,0.867856835954283,0.7064965197215771,1.883990719257539,0.0,47.92689089340142,23.963445446700728,37.50156890720291,47.926890893401456,5.325210099266828,23.96344544682921,3.552713678800501E-14,0.15413246732875896,0.01712582970319544,-1.6829485819646866,35.89791411284372,3.9886571236493022,3.2226112719899125,47.92689089340142,23.963445446700728,37.50156890720291,47.926890893401456,5.325210099266828,23.96344544682921,3.552713678800501E-14,0.15413246732875896,0.01712582970319544,-1.6829485819646866,35.89791411284372,3.9886571236493022,3.2226112719899125,47.92689089340142,23.963445446700728,37.50156890720291,47.926890893401456,5.325210099266828,23.96344544682921,3.552713678800501E-14,0.15413246732875896,0.01712582970319544,-1.6829485819646866,35.89791411284372,3.9886571236493022,3.2226112719899125,47.92689089340142,23.963445446700728,37.50156890720291,47.926890893401456,5.325210099266828,23.96344544682921,3.552713678800501E-14,0.15413246732875896,0.01712582970319544,-1.6829485819646866,35.89791411284372,3.9886571236493022,3.2226112719899125,47.92689089340142,23.963445446700728,37.50156890720291,47.926890893401456,5.325210099266828,23.96344544682921,3.552713678800501E-14,0.15413246732875896,0.01712582970319544,-1.6829485819646866,35.89791411284372,3.9886571236493022,3.2226112719899125,47.92689089340142,23.963445446700728,37.50156890720291,47.926890893401456,5.325210099266828,23.96344544682921,3.552713678800501E-14,0.15413246732875896,0.01712582970319544,-1.6829485819646866,35.89791411284372,3.9886571236493022,3.2226112719899125,60.83995518657668,30.28849611180685,48.12025704146607,60.635428437605476,6.737269826400608,30.288496111807042,-0.2629629629629804,0.12542718162052052,0.013936353513391168,-1.8684269234441395,35.40215743248273,3.9335730480536366,3.210095486432798,0,11.889999999999999,12.110134441590947,-0.15944883949130548,0.06180952484077207,5.166292110475102,8.82578889743862,8.0,28.0,28.0,28.0,8.0,0.0,0.0,0.0,0.0,0.0,21.864139999999995,3.5783542266430755,3.2865979205229316,2.776749821424117,2.333552793103048,2.333552793103047,2.1521441732931184,1.5701789900279621,1.1844010498143391,1.9514982376177399,1.7748582764455185,1.4491846544169218,1.249629722584356,1.2496297225843553,1.0578390877384156,0.7309864226710887,0.5454197542786144,3.6027222326658617,3.319952214589882,2.8247562862002518,2.405454587841289,2.4054545878412874,2.2209405418429475,1.6649033950201069,1.3036390705096588,1.8955104870397403,1.704693676153662,1.3574155619289867,1.1345406859483513,1.1345406859483511,0.941693354630327,0.5914091878686892,0.390630621981272,3.7113589177159536,3.466244716809296,3.0326644300716197,2.704236987233521,2.7042369872335197,2.5121068988589705,2.0532809308691005,1.7746436199964135,1.7333193148788617,1.4953152126899911,1.0732862068120912,0.7603185604308978,0.7603185604308975,0.5675380691788283,0.124915905400372,0.14123131295988614,3.6207568446635654,3.3445152165202376,2.860001164167286,2.457539916041694,2.457539916041692,2.271117815458154,1.7332991324011688,1.3886028483475201,1.8600660492618157,1.659727512729783,1.2976944524956946,1.0582626705327114,1.0582626705327107,0.8649420440872508,0.49792829016110407,0.28597477757142487,3.7650803884060764,3.5370536657650673,3.1311342259660515,2.8389820851496497,2.8389820851496492,2.645618958843051,2.2246397049250706,1.9746678322254259,1.6836126815493666,1.429269569490402,0.9806287991205487,0.631337262187563,0.6313372621875601,0.44037963685317044,0.040486179325188235,0.3366635519154991,3.606898937434868,3.3664160877007374,2.9209330268428437,2.642252835995143,2.642252835995142,2.337013195408584,1.8081464326418908,1.4878024500383114,1.8662518578060296,1.6167120585796182,1.2094018668100115,0.8717610327164544,0.8717610327164543,0.7629872021260347,0.385383458234574,0.15564491440053646,0,0,0,0,0,4,4,0,1,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5606601717798212,0.35355339059327373,0.0,0.0,1.5606601717798212,0.35355339059327373,0.0,0.0,0.75,0.7803300858899106,0.5517766952966369,0.75,0.7803300858899106,0.5517766952966369,7.32842712474619,4.060660171779821,4.017766952966369,1.5303300858899105,0.9053300858899106,0.5,0.375,0.0,0.8142696805273544,0.5075825214724776,0.4017766952966369,0.25505501431498506,0.18106601717798212,0.125,0.125,0.0,7.32842712474619,4.060660171779821,4.017766952966369,1.5303300858899105,0.9053300858899106,0.5,0.375,0.0,0.8142696805273544,0.5075825214724776,0.4017766952966369,0.25505501431498506,0.18106601717798212,0.125,0.125,0.0,14.418278037858748,27.878368536052434,26.254901960784323,26.599999999999994,16.985544910179637,223.53985628742518,0.4971820013054741,0.9613230529673253,0.9053414469235974,0.9172413793103447,0.5857084451786082,7.708270906462937,3.6128000000000027,43.59700000000001,23.963445446700728,37.50156890720291,47.926890893401456,5.325210099266828,23.96344544682921,0.15413246732875896,0.01712582970319544,-1.6829485819646866,35.89791411284372,3.9886571236493022,3.2226112719899125,76,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.177222222222222,0.0,5.522013888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5507638888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.252638888888889,0.0,1.3433333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5507638888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.308194444444444,0.0,1.4027777777777777,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5507638888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.25,1.6944444444444444,0.2,2.308194444444444,-0.0,0.5507638888888888,6.761107847222221,0.6992361111111112,0.30819444444444444,2.354444444444445,0.6992361111111112,0.30819444444444444,2.354444444444445,4.5,0.5,0.0,0.0,0.42414,0.7,0.42414,0.42414,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.44444,0.0,0.11111,4.0,0.44444,4.0,0.44444,0.0,0.0,-4.0,-0.44444,0.0,0.0,10.69874,1.18875,10.69874,0.0,0.0,4.06066,0.45118,4.06066,0.0,0.0,0.35334,0.03926,0.35334,0.03926,0.0,8.0,0,0,0,0,0,0,1.0,0.8935711016541907,1.3256167917569774,2.3140348740649053,2.9685331496285645,2.589344790237198,1.9453043927288005,25.91356194797153,38.44288696095234,67.10701134788225,86.08746133922837,75.09099891687875,56.413827389135214,0.18393878085369603,0.2728740176395371,0.47633674902924106,0.6110631459048369,0.5330084232182553,0.40043474741459256,3.9644098934733822,3.5323642033705953,2.5439461210626675,1.8894478454990082,2.2686362048903748,2.912676602398772,0.18587583320595183,0.27574764361055293,0.48135303333802354,0.6174982288093673,0.5386215147869565,0.40465171061182803,6.65913786016461,11.84368614139805,16.344110839762614,15.959516604554524,11.733242299639043,12.290975334496622,35.683323207831734,27.32073783211528,23.729363218853738,23.576237969979815,31.29687818483254,24.770985367655406,9.0,3.92,8.0,9,0,7,2.45,1.3767000000000005,1.7320508075688774,5.34577033197758,0.0,2.674961219905688,3.965406456500188,0.0,1.8072040072196898,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.136,0.111,0.04800000000000004,0.019000000000000017,3.853,10.0,6.0,5.0,4.0,3.0,0.0,0.0,0.0,0.0,45.0,2.1972245773362196,2.3978952727983707,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,0.0,0.0,0.0,0.0,3.828641396489095,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.5,8.0,1.0,1,3.0,6.0,1.0,3.0,0.666666666666667,0.375,0.24000000000000005,0.16666666666666666,0.0,0.0,0.0,0.0,0.0,0.375,0.0666666666666667,0.0625,0.04800000000000001,0.041666666666666664,0.0,0.0,0.0,0.0,0.0,0.5938333333333333,23.963445446700728,37.50156890720291,47.926890893401456,5.325210099266828,23.96344544682921,0.15413246732875896,0.01712582970319544,-1.6829485819646866,35.89791411284372,3.9886571236493022,3.2226112719899125,0.0,164.2203203336001,4.169925001442312,3.6109179126442243,4.23410650459726,5.043425116919247,5.6937321388027,6.51471269087253,7.173958319756794,8.000014093678072,8.663023639627777,9.491677356868124,75.42556777376673,2.833213344056216,0.0,4.04305126783455,0.0,5.3981627015177525,0.0,6.816735880594968,0.0,8.26796230533871,8.53895468319775,128.15650064,4.419189677241379,16.436231733130747,1.8262479703478607,0.0,0.0,0.0,104.0,6.0,5.437000000000001,36.0,1.230142857142857,2.121349563355106,2.9134850057022863,3.4810612128246166,4.497981080012629,5.584722509437936,6.518510927445869,7.478183071369843,0.0,0.0,72.40063675514283,80.54932465325463,66.48457976181498,53.08654744458694,87.83975635273381,97.45167184967646,46.43442165435752,7.5983126042283295,0.0,0.0,275.5059646900563,340.3496337306492,367.4561829956101,301.9953927089136,475.301338964291,550.5383745037813,502.89146055050855,232.44993139816935,0.0,0.0,8.939719116571426,15.077783934625144,20.586612335203156,24.03735771850996,31.37364934135955,38.83802496441866,45.22719333787579,50.24190375040772,0.0,0.0,2.0988376407357134,2.7719043036632334,3.2762282136616756,2.8897733655083218,4.3450301785271614,5.133516886842285,5.299341350281299,3.324896698354363,0.0,0.0,176.90608381034693,329.9031206750564,460.2704490854229,593.8608524651468,742.9540879972487,931.1597313310103,1091.2593038790828,1382.8480549651986,0.0,0.0,2.4712633928571424,3.55000985292805,4.878596698102318,4.620287909227863,6.613400033708684,8.401588966661466,10.108007926764705,7.478183071369843,0.0,0.0,0.4355678571428573,0.5832082260045431,0.6993024189219772,0.6267359894598136,0.9335900930411489,1.1069442362473152,1.161410306076728,0.7657659465082721,0.0,0.0,423.08417314516277,208.61152690641583,10.278864540266873,157.49484650853913,-77.65651020645744,-9.514352713984508,265.58932663662364,286.2680371128733,19.79321725425138,0.7287279746993265,0.35931633738822727,0.01770450566125849,0.27127202530067324,-0.13375700391787704,-0.016387696406355734,245.63379447561576,121.1154757797888,5.967693097941343,91.43820358643792,-45.08574056539277,-5.523833571324666,0.05482876099811661,0.132386549291721,0.7605036598267514,8.618193384429734,580.5790196537021,0.0,1.0,0.0,496.6525531691995,22.285702887034986,7.919253115729209,690.393274804952,26.275335864741137,8.838234441616702,862.6989968189249,29.37173806261599,9.519623322736155,1.9902383298581197,1.896459864264472,868.9062818425797,859.4468740841804,134.33411251023063,1.0110063903234032,6.468247458562734,6.397830439522401,4.773232902028189,4.466158665423347,8.836778876532481,0.9786083609044471,5.578011068718544,7.588287920014978,3.374869609840014,30.068484934334432,8.072949868525447,6.420950137564147,7.648064934053693,14.437581313237194,11.00749151299395,5.91789571979665,5.586532814637411,7.354565918300637,5.969217855978212,6.740261724606411,3.0366068533246473,0.28081017369226696,0.13932910995207265,1.5778104362607236E-19,3.446397419078224E-59,1.4519504420343953E-120,1.1798156019634413E-203,1.8490658661802625E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.46812381628378513,7.58780276776968,0.19590046291080251,10.64387598634211,1.0553229562402808,0.18060676458877856,0.6043921791614342,0.6976470355094927,3.3265956800625474,0.24709315680446597,0.050156792265553855,1.2638119726032488,0.3582932242900227,1.051075197095558,0.11670912559575684,0.001977835389807845,9.81306313676862E-4,1.1112647912704614E-21,2.4273258818235872E-61,1.022620568239026E-122,8.309537752587714E-206,1.3023122084905E-310,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5111607434362362,7.587835974051944,0.6899341110673402,13.034543786194035,1.5450878209576706,0.8189869806789654,1.578922821231274,2.510360992501877,4.544130740449785,0.9616337328681787,0.43647453609087156,1.9173999170539158,1.250618101833179,1.6768926813857978,0.46777055777762455,0.02061004852482496,0.01022596837965762,1.1580235914695827E-20,2.529460716669373E-60,1.065649476565307E-121,8.659179006924674E-205,1.357109730046205E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.265187432673013,7.588234933120891,3.12547044716922,28.322385918024825,7.309845972051445,5.81413487300264,7.0529797977653725,13.245531177534648,10.41334820418933,5.414017665060083,4.98447701446593,6.7730904579556395,5.536223548814772,6.202543394793686,2.7711969231518045,0.2501968548857139,0.12413972854974938,1.405800692531117E-19,3.0706780530364185E-59,1.2936617036012088E-120,1.0511944604891376E-203,1.647484397030775E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2271728949429,7.587878313523237,1.0750543753938528,15.143107215981189,2.161197964529882,1.4458804493824575,2.3854510619424225,4.049247806035837,5.483941571714087,1.5836766724953502,0.922511641365702,2.5411512323316052,1.938287479241738,2.265487934977628,0.7814945280451085,0.04476761611122334,0.022212169782285754,2.515381983459243E-20,5.494326679911311E-60,2.3147330622456956E-121,1.880889389992962E-204,2.947823679656997E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.736256189560979,7.5885105463895774,4.360486649097231,37.1658653627218,11.277032749057168,8.922941456393021,10.037466843999889,19.24962838309922,13.348043573704784,7.961468136135656,8.11443066394836,9.744361848982,7.6740185971911465,8.946274671275695,4.117691610296742,0.4095350308483727,0.20319841249619847,2.301088236179779E-19,5.026246737875419E-59,2.1175332631208977E-120,1.7206501745377132E-203,2.6966887877054743E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.4970126904366317,6.318069900135955,1.4985364588440333,19.791323900587397,3.548983653696325,2.8367328718393092,3.587457636106986,6.570525771757082,7.1855081877511315,2.7242239995329904,1.9799434643144838,4.3543243798681495,3.180488465758612,3.925919281088623,1.4894728728051185,0.0978046503720161,0.04852741910719864,5.495410710545276E-20,1.200357714357801E-59,5.057048569945112E-121,4.1092206937506574E-204,6.440175658612257E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.147796621409726,1.0624253316329888,0.9731366995912341,0.7783423137197862,0.11569027975709807,0.5326515722804718,0.4828148824111648,0.4584869453745576,9.183358652633949,15.58366849024187,32.15702743025427,0.6675134705796795,1.4739534000661942,6.219651608809156,0.5610987447823834,0.4871063143791153,0.8557752158513355,0.07720278073935304,0.4031815043381595,0.13456904532455297,0.1148753349264834,7.267856667970655,6.792785024149407,15.760564164260149,0.7836628237770032,0.6526258845891959,6.600673363910831,0.7669558950607783,0.6866492647708489,0.8195238523789959,0.09522341359315306,0.45414722374699096,0.25152316436383354,0.22827018489362397,8.054278523742457,10.121402561599119,21.65179172838091,0.7292857785684939,0.9339405730044484,7.126029174732926,1.0506726941112876,0.9617396355001993,0.7797860468161024,0.11497285326078828,0.5294083956246164,0.47218785579865846,0.44781052967360524,9.138441504344414,15.350982546268309,31.690088218268524,0.6696790702241536,1.44940678109688,6.76512559007727,0.8557822163187416,0.7727657500636617,0.8059791156484645,0.10195562295368772,0.4770842469177063,0.3131980402505775,0.2891179145326938,8.393673556459675,11.67865070832659,24.546231615129933,0.7089686734726969,1.0794002017009776,7.2155701284171,1.0990161086959767,1.0086212892873787,0.7739364492300342,0.11787961445499322,0.5428129050719763,0.5166579387325514,0.4925332262253702,9.323207526400456,16.316296494923975,33.637898889640354,0.6609046738450515,1.552004070029898,7.14651738017376,1.0531689103012352,0.9652537252677788,0.7797669562373638,0.11491279904638645,0.5324670024954904,0.4744446795201943,0.45108900818496944,9.164940015742774,15.44126765963456,31.87118011051417,0.6696504343560458,1.4580006902006541 +UMLCN0438,L,2-Methyloctane,CCCCCCC(C)C,Alkanes,,C9H20,Kubic (2016),Unknown,PubChem,,39,0,-0.27220000000000066,0.07409284000000037,36.2647,29.175859999999968,0,0,29,9,20,0,9,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1318.698368999998,1396.2547279999994,1555.7646799999977,1331.9218139999964,1077.7635169999958,871.8622120000002,675.1054830000003,478.3487540000002,160.52601600000003,4433.327004362573,5682.867541405009,7494.87935988425,7604.1319327625415,6375.170056048261,5088.6180112147695,4081.8196662596565,3075.02132130453,1843.095562910177,202.2339240000001,202.6767680000001,382.14684800000003,503.03176799999983,498.2180359999996,374.86695999999995,311.9820600000001,249.09716000000023,186.1885440000001,33.992358096979984,44.58208620000001,64.16919858788606,70.15938230547002,61.125781158809126,48.10273615577209,39.08120729637604,30.05967843697998,20.03172529273499,4839.502245294981,4076.805802978001,8503.123503872288,11820.707414931872,12196.781753979612,9053.567730722774,7574.6125756841775,6095.657420645581,4611.235352918536,45.02777777777778,53.666666666666664,84.41666666666669,105.16666666666667,95.91666666666667,74.66666666666667,62.33333333333333,51.0,39.0,45.472357551724066,49.86624028571426,28.810457037036993,18.498914083333283,14.968937736111052,16.145596518518524,15.002344066666673,13.287465388888895,5.945408000000001,152.87334497801973,202.95955505017892,138.7940622200787,105.61294351059085,88.54402855622585,94.23366687434758,90.70710369465904,85.41725892512584,68.26279862630285,6.9735835862068996,7.238456000000004,7.076793481481482,6.986552333333331,6.919694944444439,6.94198074074074,6.932934666666669,6.9193655555555615,6.895872000000003,1.1721502792062064,1.5922173642857147,1.1883184923682604,0.9744358653537503,0.8489691827612379,0.8907914102920758,0.8684712732528009,0.8349910676938883,0.7419157515827774,166.87938776879244,145.60020724921432,157.46525007170905,164.1764918740538,169.39974658305016,167.65866168005138,168.32472390409282,169.32381724015502,170.78649455253836,1.5526819923371649,1.9166666666666665,1.563271604938272,1.4606481481481481,1.332175925925926,1.3827160493827162,1.385185185185185,1.4166666666666667,1.4444444444444444,0.04084268106481987,-0.005562053145130743,-0.01083759984456542,-0.011731479620049702,0.004907838509422167,-1.0902930271770124E-5,3.1441083692416516E-4,0.0013136909546678892,-0.008367403116421514,751.4441937931031,-57.58193055885778,-205.2795824423299,-237.52546355529103,92.27504372057037,-13.24384402853766,-13.819663334126256,-14.39548263971488,-136.03731094530337,1397.3425661744839,-107.07605871068859,-381.72614930360487,-441.68874218159056,171.58938408387846,-24.62749350345832,-25.698254090565182,-26.769014677672043,-252.96718870400161,0.14720275862068952,-0.011279904875145685,-0.04021286087990253,-0.046529607609987596,0.018076047562424313,-0.0025943781212847024,-0.0027071771700362506,-0.0028199762187878195,-0.02664877526753933,6.246771423200696,-0.4786798025440945,-1.706493496069751,-1.9745541854944648,0.7670843835769331,-0.11009635458515027,-0.11488315261059129,-0.11966995063603275,-1.1308810335104742,33.932561514511015,-2.6001962846371285,-9.269699754730615,-10.725809674127069,4.166814546130683,-0.5980451454664343,-0.624047108312796,-0.6500490711591559,-6.142963722454514,3.187739463601532,-1.227242700488838,0.1705311137534672,-1.1557669441141507,0.4045778834720576,0.029726516052318748,-0.06430836305984941,0.8416567578279824,-1.3213436385255652,0.0014083683125799954,-1.9864475518324083E-4,-2.0069629341787812E-4,-1.6293721694513475E-4,6.816442374197454E-5,-2.0190611614389118E-7,6.9869074872036705E-6,3.649141540744137E-5,-3.099038191267227E-4,25.911868751486313,-2.056497519959206,-3.8014737489320356,-3.2989647716012644,1.2815978294523662,-0.24525637089884555,-0.30710362964725013,-0.3998745177698578,-5.038418923900125,48.18422641980979,-3.8241449539531636,-7.069002764881572,-6.1345658636332026,2.3831858900538676,-0.4560646945084874,-0.5710723131236707,-0.7435837410464456,-9.369155137185246,0.00507595719381688,-4.0285374554091736E-4,-7.446826088870839E-4,-6.462445501387166E-4,2.5105621614478213E-4,-4.804403928305004E-5,-6.015949266747223E-5,-7.83326727441061E-5,-9.869916765755308E-4,0.21540591114485158,-0.01709570723371766,-0.031601731408699096,-0.027424363687423122,0.010653949771901849,-0.0020388213812064866,-0.0025529589469020287,-0.0033241652954453544,-0.04188448272261015,1.1700883280865868,-0.0928641530227546,-0.17166110656908545,-0.1489695788073204,0.05787242425181505,-0.011074910101230264,-0.013867713518062133,-0.018056918643309886,-0.22751717490572274,0.10992205046901835,-0.04383009644602993,0.00315798358802717,-0.016052318668252092,0.005619137270445244,5.504910380059027E-4,-0.0014290747346633202,0.023379354384110623,-0.04893865327872464,-0.1410460271002141,-0.1425027044596181,-0.11569219180077221,0.04839957213827387,-1.4336172884635452E-4,0.004960994524510657,0.025910420648837664,-0.22004458376304184,-0.0793650793650784,-0.14670781893004076,-0.12731481481481471,0.0494598765432097,-0.009465020576131838,-0.011851851851852042,-0.015432098765432379,-0.19444444444444478,-0.07936507936507949,-0.1467078189300414,-0.12731481481481505,0.049459876543209956,-0.009465020576131682,-0.011851851851851834,-0.015432098765432063,-0.19444444444444461,-0.07936507936505871,-0.14670781893003274,-0.12731481481481352,0.049459876543206174,-0.009465020576133581,-0.011851851851854396,-0.015432098765435734,-0.19444444444444964,-0.07936507936507603,-0.14670781893003965,-0.1273148148148143,0.0494598765432092,-0.009465020576132023,-0.011851851851852242,-0.015432098765432627,-0.19444444444444503,-0.07936507936508758,-0.14670781893004448,-0.12731481481481507,0.049459876543211254,-0.009465020576131,-0.011851851851850897,-0.015432098765430698,-0.19444444444444234,-0.39873798076923145,0.028729300213675063,-0.14603365384615397,0.051119290865384685,0.005008012820512835,-0.01300080128205129,0.2126903044871795,-0.44521233974359,1.6725388057314226,1.2636437034559147,1.1231104615659013,0.8015629535241674,0.9106544438219494,0.8977943382773792,0.878644570390088,1.1536306085253127,1.611111111111113,1.336625514403294,1.127777777777779,0.8145061728395071,0.9189300411522645,0.9022222222222231,0.8771604938271613,1.00246913580247,1.6111111111111123,1.3366255144032928,1.1277777777777782,0.8145061728395067,0.9189300411522641,0.902222222222223,0.8771604938271613,1.0024691358024702,1.6111111111111103,1.3366255144032912,1.1277777777777769,0.8145061728395055,0.9189300411522627,0.9022222222222217,0.87716049382716,1.0024691358024687,1.6111111111111098,1.336625514403291,1.1277777777777764,0.8145061728395057,0.9189300411522626,0.9022222222222214,0.8771604938271599,1.0024691358024682,1.611111111111111,1.3366255144032915,1.1277777777777767,0.8145061728395059,0.9189300411522634,0.9022222222222219,0.87716049382716,1.0024691358024687,2.0042067307692313,0.8675213675213675,1.128455528846154,0.7014723557692308,0.8539663461538464,0.9434294871794873,0.8336338141025643,1.9519230769230773,52.544449524361866,26.27222476218092,41.81111967960283,52.544449524361845,5.838272169373537,26.272224762194256,-2.4868995751603507E-14,0.06822673905855597,0.007580748784283997,-2.4164268503977295,44.11417305852316,4.901574784280351,3.4081030038301736,52.544449524361866,26.27222476218092,41.81111967960283,52.544449524361845,5.838272169373537,26.272224762194256,-2.4868995751603507E-14,0.06822673905855597,0.007580748784283997,-2.4164268503977295,44.11417305852316,4.901574784280351,3.4081030038301736,52.544449524361866,26.27222476218092,41.81111967960283,52.544449524361845,5.838272169373537,26.272224762194256,-2.4868995751603507E-14,0.06822673905855597,0.007580748784283997,-2.4164268503977295,44.11417305852316,4.901574784280351,3.4081030038301736,52.544449524361866,26.27222476218092,41.81111967960283,52.544449524361845,5.838272169373537,26.272224762194256,-2.4868995751603507E-14,0.06822673905855597,0.007580748784283997,-2.4164268503977295,44.11417305852316,4.901574784280351,3.4081030038301736,52.544449524361866,26.27222476218092,41.81111967960283,52.544449524361845,5.838272169373537,26.272224762194256,-2.4868995751603507E-14,0.06822673905855597,0.007580748784283997,-2.4164268503977295,44.11417305852316,4.901574784280351,3.4081030038301736,52.544449524361866,26.27222476218092,41.81111967960283,52.544449524361845,5.838272169373537,26.272224762194256,-2.4868995751603507E-14,0.06822673905855597,0.007580748784283997,-2.4164268503977295,44.11417305852316,4.901574784280351,3.4081030038301736,62.10281939791628,30.950329452044553,49.80803008587096,61.94558345827292,6.882842606474769,30.950329452044663,-0.2021604938271757,0.050428108061991606,0.005603123117999067,-2.688485903746896,48.18378520735833,5.353753911928703,3.487520302175572,0,11.889999999999999,12.110134441590947,-0.16472170716806764,0.056010914963918496,5.126993858859766,7.609205224846445,8.0,28.0,28.0,28.0,8.0,0.0,0.0,0.0,0.0,0.0,21.864139999999995,3.5237558886741844,3.30611489156009,2.9136218234761326,2.40966948303152,2.3335527931030455,1.8878739333893177,1.4502824526269757,1.1648708556699068,1.9335832171679872,1.7897944129072227,1.5348123094923376,1.249629722584354,1.2125920710481837,0.9007866923333915,0.6680702839478599,0.5335611054679097,3.551598141848471,3.3391965895992723,2.9573744353353586,2.468919886630281,2.4054545878412905,1.966955647320116,1.551447297391194,1.2848656094938113,1.874004885659708,1.7203389313791404,1.4487839673688292,1.1345406859483516,1.1067561885970347,0.7742202951184386,0.523800904475183,0.37806237195825604,3.6736651015520576,3.4842055775089844,3.147695563865125,2.722604131904292,2.7042369872335175,2.297884518344297,1.9626096587602497,1.7587878146028875,1.6979595689800306,1.5130060442431026,1.1850816112941467,0.7714997180125756,0.7603185604308977,0.36013542523845804,0.03783837106225086,0.15659622307763374,3.572090955885394,3.363553785884257,2.989533877818882,2.5122846933194136,2.457539916041694,2.02443804964294,1.6242768187103853,1.3703690456408646,1.835997447134587,1.6758232509910018,1.3930244228134128,1.0582626705327118,1.0372597294314474,0.6901000535935864,0.4269122403530905,0.2729000932631246,3.732888114955442,3.5543495671212724,3.2384519469000286,2.8407160077826075,2.8389820851496497,2.4474123545957958,2.142276004625863,1.9599587704620653,1.6427939703525107,1.4475672822285337,1.0999091968122474,0.6596292382691165,0.631337262187563,0.21697052319235927,0.13613689316990038,0.35318630569130877,3.568408086714722,3.404795735764931,3.0647781634707743,2.668530351414804,2.5965348553010545,2.110174650240634,1.722907401331129,1.488699079656831,1.8268958203626107,1.6202018182593014,1.2945375483520953,0.9199589093465218,0.8483056323136746,0.566850741255075,0.2919384545082387,0.12376325891547259,0,0,0,0,0,3,5,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.2886751345948129,0.20412414523193154,0.14433756729740646,0.2886751345948129,0.20412414523193154,0.14433756729740646,7.112884175122364,4.2700556100296625,3.243182156491986,1.635027805014831,0.9793625530579064,0.5675139025074155,0.3061862178478973,0.20412414523193154,0.7903204639024849,0.5337569512537078,0.40539776956149826,0.2725046341691385,0.19587251061158129,0.14187847562685388,0.10206207261596577,0.10206207261596577,7.112884175122364,4.2700556100296625,3.243182156491986,1.635027805014831,0.9793625530579064,0.5675139025074155,0.3061862178478973,0.20412414523193154,0.7903204639024849,0.5337569512537078,0.40539776956149826,0.2725046341691385,0.19587251061158129,0.14187847562685388,0.10206207261596577,0.10206207261596577,14.418278037858748,27.878368536052434,26.254901960784323,26.599999999999994,16.985544910179637,223.53985628742518,0.4971820013054741,0.9613230529673253,0.9053414469235974,0.9172413793103447,0.5857084451786082,7.708270906462937,3.6128000000000027,43.59700000000001,26.27222476218092,41.81111967960283,52.544449524361845,5.838272169373537,26.272224762194256,0.06822673905855597,0.007580748784283997,-2.4164268503977295,44.11417305852316,4.901574784280351,3.4081030038301736,87,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,5.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7999999999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.854430272108845,0.0,7.074406651549509,0.0,0.0,0.0,0.904496409674981,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2592998866213154,0.0,1.3592214663643234,0.0,0.0,0.0,0.904496409674981,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.297565192743764,0.0,1.4391666666666667,0.0,0.0,0.0,0.904496409674981,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.833333333333334,1.6481481481481481,0.2,2.297565192743764,0.2,0.904496409674981,6.755388857709751,0.4288369236583523,0.2975651927437642,1.708860544217687,0.4288369236583523,0.2975651927437642,1.708860544217687,4.5,0.5,0.0,0.0,0.42414,0.7,0.42414,0.42414,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.33333,0.11111,0.0,4.0,0.44444,4.0,0.44444,0.0,0.0,-4.0,-0.44444,0.0,0.0,9.8423,1.09359,9.8423,0.0,0.0,4.27005,0.47445,4.27005,0.0,0.0,0.14395,0.01599,0.14395,0.01599,0.0,8.0,0,0,0,0,0,0,1.0,0.8935711016541907,1.3130468615293815,2.495791565333852,3.1585253911570796,2.6110410137920494,1.978333581185264,25.91356194797153,38.078358984352064,72.3779553946817,91.59723634355531,75.72018939996943,57.37167385437266,0.18393878085369603,0.27028653731793784,0.5137507882054428,0.6501724470155394,0.5374745221133749,0.4072337012370943,3.9644098934733822,3.544934133598191,2.362189429793721,1.6994556039704931,2.2469399813355233,2.8796474139423087,0.18587583320595183,0.27313291463143774,0.519161078347347,0.6570193884925797,0.5431346460008186,0.4115222639601809,6.65913786016461,11.6928469786669,16.527289782956952,16.150995541452755,11.755108296837491,12.687325595974187,35.683323207831734,27.61103378623542,23.486961826611186,23.09537870038817,31.317760650083724,28.58353915233659,9.0,6.125,8.0,9,0,8,2.45,1.3767000000000005,0.6506976368304991,4.534208740628695,1.6509636244473134,0.0,5.6762400186093895,1.9192597481868876,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.103,0.084,0.08800000000000005,0.024999999999999994,4.037,8.0,6.0,5.0,4.0,3.0,2.0,0.0,0.0,0.0,45.0,2.1972245773362196,2.1972245773362196,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.0,0.0,0.0,3.828641396489095,1.0,0.42857142857142855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.625,8.0,1.0,1,4.0,7.0,0.75,1.5,0.44444444444444464,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0,0.0,0.0,0.0,0.1875,0.05555555555555558,0.041666666666666664,0.03200000000000001,0.027777777777777783,0.027210884353741496,0.0,0.0,0.0,0.0,0.37171088435374156,26.27222476218092,41.81111967960283,52.544449524361845,5.838272169373537,26.272224762194256,0.06822673905855597,0.007580748784283997,-2.4164268503977295,44.11417305852316,4.901574784280351,3.4081030038301736,0.0,164.2203203336001,4.169925001442312,3.4965075614664802,4.110873864173311,4.795790545596741,5.43372200355424,6.124683390894205,6.771935555839602,7.463363045520021,8.11522197256233,8.805824812903607,72.11792275251054,2.833213344056216,0.0,3.8918202981106265,0.0,5.081404364984463,0.0,6.329720905522696,0.0,7.6093665379542115,7.940939762327791,128.15650064,4.419189677241379,16.66375611131339,1.851528456812599,0.0,0.0,0.0,114.0,6.0,5.4,32.0,1.230142857142857,2.122427994948142,2.870553818808022,3.535582871183075,4.709707374766006,5.75751829509131,6.880801327279493,7.947385262840567,8.755551182007686,0.0,72.40063675514283,69.14254315265957,62.59202932757445,67.64404050996778,91.40987836552331,101.85787290126977,103.96288133619821,49.83350215657456,8.896200356195457,0.0,275.5059646900563,317.71438326606244,328.334215612113,361.72010674781365,493.4598150652022,574.3487696280907,632.5472673034354,561.9931723556782,272.1553152934563,0.0,8.939719116571426,15.073627953416603,20.104497455244335,24.602153524606482,32.83040723348237,40.066366688705614,47.74865415944099,54.89711610574231,58.823855416476086,0.0,2.0988376407357134,2.664233079313191,2.9448679276642986,3.318804008876092,4.515905249566923,5.342252499004909,6.046335798370159,6.052081705271712,3.892831044586531,0.0,176.90608381034693,330.3331185551294,467.8528837772262,588.6811697915576,779.522077510081,957.8865473486757,1154.633095280865,1349.9011198358992,1619.055966754999,0.0,2.416345238095238,3.4231232692742877,4.289600534738711,4.939670816668776,6.758163870650931,8.255538438098025,10.076452009302349,11.71245241055134,8.755551182007686,0.0,0.4355678571428573,0.563109719024585,0.6303898350000255,0.7139335398930368,0.970614727989062,1.1513391143394396,1.3089764615440722,1.3318854904398771,0.8965684410375869,0.0,445.3610757520741,223.14292018229517,10.942671088901902,166.20612296278534,-83.27561982704513,-9.95698069177386,279.15495278928876,306.4185400093403,20.89965178067576,0.7282291736508284,0.36487064814987663,0.017892835181312388,0.2717708263491715,-0.13616757079522837,-0.016281090144627357,272.3682255143323,136.46689060893976,6.692178704297818,101.64621302960812,-50.9286375388696,-6.089362789326083,0.05865304384813356,0.13006168243429225,0.8849123685852743,8.638638664330095,611.5671987148595,0.0,1.0,0.0,496.6525531691995,22.285702887034986,7.919253115729209,690.3932748049522,26.27533586474114,8.838234441616704,809.0251599036196,28.4433675907692,9.3179564427864,2.2506627376155937,2.2506627376155937,1163.6884207474127,1112.6549079163626,95.47808456887287,1.0458664339391799,12.188015982955639,11.653510990930613,4.942345038257026,5.6454556919422,10.065582814166165,0.7829531154646816,5.578011068718555,7.588228342481699,3.1965073096294905,29.514006539772215,11.29587206328712,3.2283817297768604,6.0464185687726735,11.665498249995341,14.11441483810957,3.5793264740625395,3.157557461820382,13.420557175863031,5.9894061650894175,6.533286631922613,3.2412993477161325,2.8252353952854343,0.8597365021115422,1.1713237743656577,2.0081398576126377,1.273792687859013E-8,2.405680934114316E-38,8.763008205713223E-90,6.15664787726622E-163,8.342790099354308E-258,0.0,0.0,0.0,0.0,0.0,0.0,0.4681238162837859,7.587802348160244,0.20669549634221457,8.359024561878922,0.5792621918465048,0.09047715856297038,0.6837357572238569,0.5173176595575271,4.28497085793504,0.1464509269565592,0.029476784977962085,1.1214550289801464,0.2650264961935796,2.282019575578463,0.1306583819182182,0.136394540403672,0.007870270729874942,0.057072599175597497,0.014143493213294021,8.97142605261346E-11,1.6943407520154841E-40,6.171858330270352E-92,4.336177439965565E-165,5.875895282036436E-260,0.0,0.0,0.0,0.0,0.0,0.0,1.5111607434362395,7.587831601398078,0.7078053289748366,10.32867566873582,1.3065557254129054,0.41085458528511387,1.5951879742312711,1.9339701814249173,5.686870786474748,0.5739690725483361,0.24836328637557492,2.7301968847273637,1.012114273764786,2.9983024827977705,0.5149276563845673,0.5033454075554147,0.06479450389287277,0.21140393346578226,0.14738610397310953,9.34891764740767E-10,1.765633697958769E-39,6.431552232920199E-91,4.518631213482034E-164,6.123135917789497E-259,0.0,0.0,0.0,0.0,0.0,0.0,5.265187432673024,7.588181850611345,2.9748508515606553,27.38808097541727,10.123240261295601,2.9230280212753272,5.653313946754354,10.679154063284315,13.298811548398707,3.2725174353494326,2.8176104344691595,12.348599627316805,5.489893404321708,6.21943449376914,2.962186258916968,2.5962766883131017,0.7662093498639757,1.0772458356460357,1.7892164595016617,1.1349263521016357E-8,2.143418401517005E-38,7.807682546100146E-90,5.485462417172714E-163,7.433275778748874E-258,0.0,0.0,0.0,0.0,0.0,0.0,2.2271728949429033,7.587868815534736,1.0842176880876429,12.378107089389292,2.2393820610458657,0.7258385891233358,2.2752629657424888,3.1614914689601883,6.828719447373188,0.9485670789764522,0.5232163032529671,4.102301053841563,1.6500831019473408,3.5349891559098423,0.853148210153552,0.809255215490684,0.13859899878457332,0.33905575092710416,0.32014231253763564,2.0307098394507202E-9,3.835192327643233E-39,1.3970190876538346E-90,9.815070805133794E-164,1.3300269427442345E-258,0.0,0.0,0.0,0.0,0.0,0.0,6.736256189560992,7.5884236581564775,4.061054150405247,38.328700179674605,16.22412469735517,4.487559845873586,7.5754892824842575,15.662497659931745,17.377039340249276,4.825042038383829,4.584780040456775,17.75175143158193,8.008135260034091,7.756190222897713,4.375421097563703,3.746030793028926,1.2530053717875358,1.5490189842437434,2.9286832541856764,1.857706922202059E-8,3.508459552727724E-38,1.2780023906738514E-89,8.978892317541687E-163,1.2167175291372618E-257,0.0,0.0,0.0,0.0,0.0,0.0,3.5251114515607758,6.750723891736944,1.62097055637707,17.009936366121263,4.546441300581679,1.5056472624414396,3.316361479247566,5.437844816911871,8.986090418767832,1.7124571072142423,1.1775887797799165,7.047204477477361,2.932403853401313,4.94937421694349,1.4433124035069593,1.5904615076949564,0.3185202520895062,0.6649911338465434,0.739267242115699,4.689280997092391E-9,8.85616160065313E-39,3.2259729741017245E-90,2.2664796376856837E-163,3.0712758401359886E-258,0.0,0.0,0.0,0.0,0.0,0.0,9.5788037649901,1.0755344980911632,0.5830672248152137,0.85240349966077,0.09571021524938242,0.5674082618937564,0.4540181304795336,0.42169376081933946,11.237405487896478,16.514529342989707,33.758888066899516,0.778605249491155,1.4431201531926294,8.508688634948996,0.5721553823248104,0.17355830705250752,0.9194206537339402,0.06182521164233707,0.44802212986488854,0.12904067792675405,0.037679050923069064,9.254402324326314,6.444347913257945,16.543682755170053,0.8791309806009104,0.6147418587147118,8.947906115155837,0.778840687559132,0.34179042743882465,0.8886997098603527,0.0773539065065597,0.4953096038618059,0.2386941470537951,0.14568856121191098,10.068537230153794,10.293502298231704,22.743974744622474,0.833049564790529,0.879692312127512,9.553698960487978,1.0637324841729456,0.5734740406932077,0.8537020505616089,0.09505329891000186,0.5644452153120069,0.44415490261429447,0.40802708397200477,11.190905485354131,16.25140124063319,33.27028250132595,0.7805530758424133,1.4166272018983062,9.137514172560314,0.8680311219816705,0.41434705242550396,0.8769298058266037,0.08330519098254355,0.5164604047875138,0.29626617017581175,0.21378593551747294,10.419892346967488,12.077414880034288,25.78376164946309,0.8153947087399057,1.0265125104807984,9.656970429785446,1.1122793250843799,0.612932799989296,0.8484287071694196,0.09772109344789426,0.57668399942784,0.48541319641957237,0.4656566675490693,11.38218255485912,17.34207495803797,35.30792106325638,0.7726430607541295,1.5277538633964816,9.586181211660858,1.0673651038349328,0.5745693031900762,0.8537658087263996,0.09506181981762107,0.568277997218058,0.4470303731918997,0.4090837597313954,11.228115618685866,16.35315598736249,33.460239035549286,0.7806487130895994,1.4243921301413531 +UMLCN0439,L,dioctyl sebacate ,CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC,Esters,,C26H50O4,Kubic (2016),Unknown,PubChem,,70,0,-5.170800000000003,26.737172640000036,95.31240000000001,82.30764999999992,0,0,80,30,50,0,26,0,4,0,0,0.0,0.0,0.0,0.0,0.0,4825.542350000021,5076.413117000002,6021.32627800001,5842.577205000034,5702.1999320000305,5505.44320300003,5308.686474000028,5111.929745000027,4915.173016000025,13431.18977488655,17294.096571215458,23091.225244783476,24443.626573152407,23516.212795251722,22509.414450296597,21502.616105341473,20495.817760386355,19489.01941543123,585.3834799999997,589.5167720000003,1119.3866320000002,1527.1465800000026,1448.3986400000022,1385.5137400000021,1322.6288400000021,1259.743940000002,1196.859040000002,97.31486124244972,127.85795549999983,185.48546917977242,206.13540487871296,195.69604472452482,186.6745158651287,177.65298700573265,168.63145814633654,159.60992928694046,13284.34100276245,11492.457546204992,23779.89903369951,34940.44171615535,32722.882451707388,31243.927296668793,29764.972141630198,28286.016986591603,26807.061831553023,235.55555555555554,177.25,322.66666666666663,383.0833333333333,390.8333333333333,378.5833333333333,366.3333333333333,354.0833333333333,343.8333333333333,60.31927937500026,64.25839388607598,39.613988671052695,27.689939360189737,28.79898955555571,29.129329116402275,29.49270263333349,29.894325994152204,30.340574172839663,167.88987218608187,218.91261482551212,151.91595555778602,115.84657143674127,118.76875149117032,119.09743095395025,119.45897836300819,119.85858339407226,120.3025889841434,7.317293499999996,7.462237620253168,7.364385736842107,7.23766151658769,7.315144646464657,7.330760529100541,7.347938000000012,7.3669236257310065,7.388018765432112,1.2164357655306215,1.6184551329113903,1.220299139340608,0.9769450468185449,0.9883638622450749,0.9876958511382472,0.9869610389207369,0.9861488780487517,0.9852464770798793,166.05426253453064,145.47414615449358,156.4467041690757,165.59451050310594,165.26708308943125,165.31178463845922,165.36095634238998,165.41530401515558,165.47569031822854,2.944444444444444,2.2436708860759493,2.1228070175438596,1.815560821484992,1.9739057239057238,2.003086419753086,2.035185185185185,2.070662768031189,2.1224279835390947,0.5873516930485875,-0.32130275919267526,0.07485116241221504,-0.018449595547502945,-0.034413830258957,0.0021340930334318537,0.0016035021852410904,0.014842753726409252,0.06765979430857275,2549.823235950005,8.670868224380257,-624.406944454993,230.5449965068783,-107.56644897624494,-111.46144725687066,-115.35644553749592,-119.25144381812163,-123.14644209874734,3911.721895678906,-207.05592829843124,-1619.4906257140883,288.5555592962654,-21.075082302835742,-22.065377793152127,-23.05567328346851,-24.045968773785578,-25.036264264102645,4.276798200000006,0.0897578774999723,1.618448019999973,-0.23629555249999168,-0.7412011450000225,-0.7653658475000268,-0.7895305500000311,-0.8136952525000354,-0.8378599550000396,17.379548160918777,-1.613264021019109,-7.544857604912324,0.6191110244819215,-0.0039313340199106095,-0.003954365620681161,-0.003977397221448159,-0.0040004288222107165,-0.004023460422974162,96.06497285466858,-9.940801851786368,-40.67255429405122,2.034259424141349,-0.21380434112617341,-0.21757364110504374,-0.22134294108392827,-0.2251122410628057,-0.22888154104167602,80.61666666666629,1.818819444444445,22.345000000000045,-2.9070138888888657,-13.376249999999967,-13.831874999999972,-14.287499999999973,-14.743124999999978,-13.198749999999979,0.007341896163107343,-0.004067123534084497,4.92441857975099E-4,-8.743884145735993E-5,-1.7380722353008585E-4,1.129149753138547E-5,8.908345473561613E-6,8.679972939420616E-5,4.1765305128748607E-4,31.87279044937506,0.10975782562506654,-4.1079404240460065,1.0926303151984753,-0.5432648938194189,-0.5897431071792099,-0.6408691418749773,-0.6973768644334598,-0.7601632228317737,48.896523695986325,-2.620961117701661,-10.654543590224264,1.3675618923993622,-0.10643980961028153,-0.11674803065159856,-0.12808707379704729,-0.1406197004314946,-0.15454484113643607,0.053459977500000075,0.0011361756645566115,0.010647684342105085,-0.0011198841350710505,-0.00374344012626274,-0.00404955474867739,-0.004386280833333507,-0.0047584517690060545,-0.005171975030864442,0.2172443520114847,-0.02042106355720391,-0.0496372210849495,0.0029341754714783006,-1.9855222322780857E-5,-2.092256942159344E-5,-2.209665123026755E-5,-2.339432059772349E-5,-2.4836175450457793E-5,1.2008121606833573,-0.12583293483273883,-0.26758259403981066,0.009641039924840517,-0.0010798199046776434,-0.0011511832862700726,-0.0012296830060218237,-0.0013164458541684544,-0.001412849018775778,1.0077083333333285,0.02302303094233475,0.1470065789473687,-0.01377731700895197,-0.06755681818181801,-0.07318452380952366,-0.07937499999999985,-0.08621710526315776,-0.08147376543209864,-0.5539609174155291,0.0670728442673426,-0.011909572066237559,-0.023673342644568898,0.0015379538583131526,0.00121335759532062,0.011822522065944,0.0568862650749777,0.0034436214739151775,-0.12888549656707426,0.034280974454808016,-0.017044786043516027,-0.018503027154648556,-0.020107092376894255,-0.021880006569902747,-0.02384991122880107,-0.053602197448584736,-0.21789981750990703,0.02796848914867988,-0.0021768379746599175,-0.0023876550279418297,-0.0026195537865519327,-0.0028758629408052864,-0.003160650889975679,0.021252827211844783,0.1991711339965504,-0.020948084668966593,-0.07002322674495579,-0.07574927895690538,-0.08204793639004992,-0.08900961039510441,-0.09674480373405385,-0.09400043484732042,-0.2284856689039511,0.013506337192707244,-9.139580448899865E-5,-9.630892231659658E-5,-1.0171335192686346E-4,-1.076866688644073E-4,-1.143236876839257E-4,-0.10478985719226054,-0.22283468039458806,0.008028766063922938,-8.992413135316188E-4,-9.586705764330019E-4,-0.001024042765624589,-0.0010962962378889404,-0.001176577873738183,0.022846919272939283,0.14588207131432152,-0.013671929221205244,-0.06704005112109324,-0.07262470834933124,-0.07876783130039303,-0.08555759877261923,-0.08085054250032568,1.6088763252400426,0.9525048365239289,1.0119059277026163,1.1733634352754034,1.1969864850209546,1.2477660668086958,1.2935419705499318,1.3162155506734148,1.2057159938204762,1.211813354196393,0.9361871354362022,1.0300961518134295,1.0394559426674534,1.04975171260688,1.061131247803088,1.073775175798875,1.4652195407853625,1.3819411509944062,0.9445755704955071,0.977690822575819,0.9761352755346261,0.974424173789314,0.9725329560708112,0.9704316030502524,0.7169597106545724,0.704393922045407,0.9662461580216438,1.2356985828200797,1.289905644265874,1.3495334118562479,1.4154377865613978,1.4886648695671199,1.577767089646556,1.4230611195611689,0.9562242838778661,0.9736362069208759,0.9715895207573602,0.9693381659774926,0.966849826483955,0.9640850048244686,1.5963130768872353,1.4212156703079262,0.9602580598494608,0.9778966730443086,0.9768888868265166,0.9757803219869455,0.9745550661116299,0.9731936706946128,0.5530287368203458,0.49283846374257134,0.8282326105935035,1.2364809976966329,1.292768594815324,1.354684951645884,1.4231188197217663,1.4870583490940532,547.3657877374869,274.1828938687434,431.45916360854136,548.2991210708201,18.276637369027334,274.1828938687434,0.9999999999998295,1.3877787807814457E-15,4.625929269271486E-17,-102.63321577610654,310.02670314393845,10.334223438131282,17.209975298830262,547.4447082518543,274.2208852841242,431.518296378002,548.3752997471555,18.27917665823852,274.2208852841242,0.9970623163941923,7.216449660063518E-16,2.4054832200211726E-17,-104.59499517832654,310.05847528148524,10.335282509382841,17.21028272889323,617.2309965831167,307.8175093354419,484.0847828093455,615.7414171983661,20.5247139066122,307.8175093354419,-1.595977912232911,8.881784197001252E-16,2.960594732333751E-17,-103.97207708399179,339.098245606599,11.3032748535533,17.478869626327786,547.5275361613718,274.26075768112366,431.58035768767974,548.455250082189,18.2818416694063,274.26075768112366,0.9939792008755148,8.881784197001252E-16,2.960594732333751E-17,-103.97207708399179,310.091823385975,10.336394112865833,17.210605374270585,691.0057345848617,343.33827876375216,540.1448572303129,686.9651693313283,22.898838977710938,343.33827876375216,-4.329177057357356,1.27675647831893E-15,4.255854927729767E-17,-102.88336060292369,371.4276928622909,12.380923095409695,17.75206262874212,555.6276633153807,278.16010002944654,437.65375750769374,556.2740309426588,18.542467698088625,278.16010002944654,0.6925367435123349,1.1102230246251565E-15,3.700743415417188E-17,-103.30264643004918,313.367296020416,10.445576534013867,17.242127916829556,538.510687199469,269.5643930997876,425.0394287431519,540.180935469717,18.006031182323902,269.5643930997876,2.5053724053721567,6.106226635438361E-16,2.0354088784794535E-17,-105.09615743231603,293.0739931385473,9.769133104618243,17.04127534033253,0,11.889999999999999,15.997940853876091,-0.3166092466111609,0.26265286756409345,4.34658504676818,7.599333964719393,29.0,79.0,77.0,77.0,27.0,2.0,2.0,0.0,0.0,2.0,60.40834999999998,3.6004098470530685,3.5672135672191843,3.488277085447467,3.460114362506042,3.3561224164590406,3.244923527651451,3.189326676169353,3.017414410892211,1.9243885365498083,1.913433273186,1.9085572033678389,1.7806568704071475,1.7429795546723827,1.7273622367447736,1.5525603036186202,1.4868089119064212,3.5684824768920516,3.53016925990589,3.515066339929864,3.435393290878926,3.316269295844171,3.2700323514698635,3.171896159532867,2.977195579328945,1.8806617575557336,1.8599592865982015,1.8485413155149175,1.7583042725698856,1.6929873314101778,1.6604076484282826,1.5381214334471285,1.4312011003158356,3.710358697851497,3.675548772794163,3.6431922009556135,3.5932163385395803,3.4915985291344893,3.4234579045533065,3.346228868404605,3.1871746053086207,1.7000096595958774,1.6746343044392629,1.6666968488463914,1.5566954105844768,1.4724172425371633,1.446653136846732,1.3076937435954232,1.1622439508392501,3.578472266391897,3.545158817672341,3.5358406020512323,3.433793285261036,3.324248688209565,3.292799835437158,3.170691159650753,2.9828094916840513,1.8587653686082137,1.8318431587265347,1.8102145597201764,1.7477108015320737,1.6681443736850117,1.6176461791486991,1.5254391787787047,1.4008294183839785,3.7514436278880923,3.7212802942846093,3.703803726270069,3.6306048436619833,3.5390596858149266,3.4927497202723403,3.393111209727488,3.2464098983004077,1.652947450945748,1.621495400649051,1.6098913388942948,1.5176154845604872,1.4170952209899716,1.3809790021590942,1.2657065864621344,1.097636652465364,5.179224377797105,5.179211201580099,3.6052926365991773,3.603210706287146,3.5497373976030753,3.468912330316086,3.4596248401998166,3.3083158182229484,1.774414164630994,1.7574151599696668,1.7555184886623474,1.58905883628815,1.5324600233105627,1.5257846882358155,1.3056075279643198,1.2136127259829583,0,0,2,0,0,4,20,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5773502691896258,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.8164965809277261,0.8660254037844387,0.8164965809277261,0.16666666666666666,0.1767766952966369,0.16666666666666666,22.125263286856388,14.7019072626078,10.729005000103257,7.244800481421252,4.8811925974614345,3.2806485311744895,2.1989413474356194,1.469448410819176,0.7375087762285463,0.506962319400269,0.3576335000034419,0.24982070625590524,0.1743283070521941,0.12150550115461073,0.08457466720906229,0.05877793643276705,20.189342347959496,13.015167193676994,8.59779461040735,5.533683017500119,3.5269122680186666,2.220965653981991,1.3774636154168292,0.8375448996069612,0.6729780782653165,0.44879886874748254,0.286593153680245,0.19081665577586615,0.12596115242923808,0.08225798718451818,0.0529793698237242,0.03350179598427845,42.404891512314336,78.51857246904605,74.53333333333319,75.60000000000002,47.884820359281505,615.067155688622,0.5300611439039292,0.9814821558630756,0.9316666666666649,0.9450000000000003,0.5985602544910188,7.688339446107776,7.914600000000007,125.60600000000011,288.848109221925,453.40417550284303,577.6962184438501,19.256540614795,288.848109221925,4.440892098500626E-16,1.4802973661668754E-17,-106.05151862567163,320.9875218952178,10.699584063173926,17.314206749321666,1168,0.0,0.0,4.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,22.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,33.96569837785145,-0.08950521262142597,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.29871594059525,1.0761728395061727,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.437290397128258,0.0,23.01984977097505,0.0,0.0,0.0,0.0,0.0,0.0,-0.08950521262142597,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.37707497748218,10.588623400369272,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.294311700184636,-0.044752606310713094,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.23149377830036566,0.5380864197530864,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.218645198564129,0.0,0.5422669455497736,0.0,0.0,0.0,0.0,0.0,0.0,-0.044752606310713094,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.68853748874109,5.294311700184636,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.68853748874109,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5709524983563445,0.5380864197530865,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.218645198564129,0.0,1.3086582222919592,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.68853748874109,5.294311700184636,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,61.333333333333336,2.0444444444444447,0.5709524983563445,11.68853748874109,-0.03490652604375133,-0.044752606310713094,13.025097276149003,1.7114192729773798,4.688537488741091,26.805977549959422,1.7114192729773798,4.688537488741091,26.805977549959422,14.33332,0.47778,0.0,0.02222,0.48833,0.80222,0.43043,0.48833,0.80222,0.0579,0.0,-0.0579,0.0,0.59557,0.11872,0.0,0.11628,0.06977,0.0,19.0,0.63333,16.0,0.53333,3.0,0.1,-13.0,-0.43333,0.0,0.0,39.7191,1.32397,49.06424,9.34513,0.3115,12.58676,0.41956,14.70189,2.11513,0.0705,0.21211,0.00707,0.21211,0.00707,0.0,29.04,4,4,4,4,0,0,0.9230769230769231,1.1668750678823046,1.7062848509536388,2.838845281576061,3.6586949695628412,3.975070520364181,3.8617687959731937,93.35000543058436,136.5027880762911,227.1076225260849,292.6955975650273,318.0056416291345,308.9415036778555,0.18457582091545363,0.269899439750594,0.4490473853810324,0.5787308736588894,0.6287750288679936,0.6108530084510553,5.155053027005057,4.615643243933723,3.4830828133113005,2.6632331253245205,2.3468575745231806,2.460159298914168,0.184054049756915,0.26913647013372255,0.4477779884830697,0.5770948788848536,0.6269975659606344,0.6091262086983277,10.207359362553364,16.88002249040938,21.59927453513709,24.281812205990988,24.600663405601367,23.387257594791368,110.31429268762562,84.12727839525937,67.06567576130792,52.80916246894441,49.95545621898199,55.669792326555296,30.0,25.26222222222222,25.170035671819264,30,3,10,3.8800000000000003,3.9207999999999914,0.037037037037037035,4.302427554528248,0.31426968052735443,0.0,0.0,7.269889909786234,0.0,0.1111111111111111,0.0,0.0,0.09090909090909091,0.8528028654224417,0.09090909090909091,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.7630000000000001,0.7480000000000002,0.989,0.12,13.928,30.0,29.0,28.0,27.0,26.0,25.0,24.0,23.0,22.0,293.0,3.4657359027997265,3.5553480614894135,3.5263605246161616,3.4965075614664802,3.4657359027997265,3.4339872044851463,3.4011973816621555,3.367295829986474,3.332204510175204,3.295836866004329,5.805134968916488,1.129692832764505,0.48148148148148145,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,25.0,0.8620689655172413,27.0,0.9310344827586207,2,14.0,27.0,0.9285714285714286,2.5,1.1111111111111116,0.625,0.40000000000000024,0.27777777777777785,0.20408163265306128,0.15625,0.12345679012345677,0.08000000000000002,0.06611570247933884,0.08620689655172414,0.037037037037037056,0.021551724137931036,0.014285714285714294,0.010288065843621401,0.00784929356357928,0.00625,0.005144032921810699,0.003478260869565218,0.003005259203606311,0.2145686376101271,288.848109221925,453.40417550284303,577.6962184438501,19.256540614795,288.848109221925,4.440892098500626E-16,1.4802973661668754E-17,-106.05151862567163,320.9875218952178,10.699584063173926,17.314206749321666,52.60000000000001,488.1400483739812,5.906890595608519,4.77912349311153,5.4680601411351315,6.180016653652572,6.880384082186005,7.597396320212795,8.30325712085294,9.023408202624545,9.732758541777981,10.455215167622544,127.41961972317606,4.07753744390572,0.0,5.187385805840755,0.0,6.424869023905388,0.0,7.7226775164680035,0.0,9.055906318669118,9.368113055848724,426.37091008000135,5.329636376000017,58.46817353057185,1.9489391176857285,10.989086037996318,10.989086037996318,0.0,4153.0,29.0,10.176,118.0,1.2474303797468347,2.1506109618005826,2.8734200572166873,3.6444977399227105,4.941537619742439,5.9458297541215845,7.225444303396609,8.306882003378147,9.563741790886484,10.686207091850664,91.65157979069623,93.68254810268131,93.78637366812742,130.92718096102507,166.57905734561461,203.90584314016152,242.22588545895798,282.2454199460351,317.4159034010903,361.77492187362037,298.7210117409914,347.51186363111805,366.17600251064323,504.81010779716394,645.9016752730566,786.6448937572919,932.1515250641254,1077.3100422617456,1239.0238039394428,1433.743864703587,9.357586954177226,15.908777196578944,20.86792571869533,26.863453577777598,36.38727745179688,43.92557162728628,53.44340742380781,61.641632274612824,71.11574673500472,78.7656302966499,2.1539045366012677,2.7432506545790734,2.9902804605870728,4.044462771411463,5.214160036797179,6.32836934486844,7.508586574555327,8.644231442129337,9.945256535232774,11.602154777561303,179.36706277080776,333.29889338458344,472.01320889929895,588.1983955703332,807.7657473121113,968.8459913844257,1184.2627800699856,1360.401502447864,1572.2500582238895,1731.4484196997673,2.8749736286919823,4.715381346527018,5.334218209148519,7.434867395129667,10.118232106926001,12.391812847488405,15.248813947826319,17.9953783135066,20.692124757731424,23.543500509734955,0.4662549683544298,0.6104492262406486,0.6745724980491308,0.918107368529683,1.1923257829975553,1.451760261144469,1.7327552661896053,2.003676758010682,2.2961303681716756,2.6390537999895916,1117.1338869800222,2440.5715354718122,36.028694671969035,337.8382182247872,-738.0658205820546,-38.70178843003521,779.295668755235,3178.637356053867,74.73048310200424,0.7678043331440839,1.677400911496008,0.024762464203323994,0.23219566685591644,-0.5072714576051346,-0.02659967726638124,1625.3986433349542,3550.9635048683554,52.42074573465607,491.54518358916033,-1073.8651807519868,-56.310022587239445,0.11967446473635333,0.1444652530397567,1.0387537463022396,1.7279666831821308,1354.1623730293145,100.80973217549426,0.9307136323680213,0.06928636763197862,2103.1927184507795,45.860579133399305,12.812278091920279,2587.544522540159,50.86791250425124,13.728695642692275,3960.034878705529,62.928808019106235,15.820966235716797,6.314052361832378,6.314052361832378,39656.98726864077,39470.00629649456,266.9657970255503,1.0047372926860367,148.54707123716432,147.84667824963748,10.497032410843142,17.696937112857757,34.17616211293691,0.9311907984408287,13.971479786944464,22.813736248987635,10.306669127952524,104.09614714129236,35.71727469499291,3.323614555959638,24.789198628581218,18.726439334649854,71.05275157054233,1.744784933640759,13.133783912419272,53.871405516697244,11.824486655528908,45.066717181012734,2.708886598961107,36.373841371027865,14.706232870544945,16.98365861082282,10.93752143405764,3.265691014088059,75.44074970717217,2.8424732994527844,17.697678285046415,0.7793408923537012,0.2661947586399691,81.18818569663961,7.158079333885995,29.454955069924466,0.2925981908820855,1.0116452292943314,1.2055445244913439,23.1151143993003,0.8841900669554738,24.621600140459904,0.39292750221024253,3.377327238773216,4.40364337602811,1.0992024126256768,18.622405956887494,0.04938375029085571,9.71974067431307,5.263201956453382,1.231315334373021,11.104877162481216,0.11440131627422409,14.310743221664142,2.304855001929909,2.4442183781581117,3.6252145478384543,0.36504036967747244,16.840731061184176,1.3586834024349992,4.253551550352737,0.2418923568598713,0.010243422707241412,11.484440053065502,0.3503603160185771,9.935668243133222,0.005514238098989711,0.4500393997894575,3.7968098068119485,22.552987303600684,2.3268763287591585,29.110635518557373,2.7618497460945832,3.0225385532731224,6.9886320383637575,2.765008649950164,23.45553209541732,0.22331196768293854,9.301313802568284,11.549078684338438,2.1974475673284024,14.75451773197899,0.4437179789177878,17.31036784827173,3.081588517394711,3.773305239172448,3.764170658522817,0.6324677553893767,25.63438263736105,1.0164233492525903,5.752038092483028,0.12094746315540436,0.040465828382007185,22.046338585548632,1.295492712458315,11.005385156065902,0.030177756714436062,0.4532375381521684,13.1981674268172,23.11480355224174,10.684662767105744,98.75798963566666,32.150401672837475,3.503340245783969,25.55239602941597,18.029182498206765,70.4144736340417,1.5801067131428077,13.285375162608133,51.02240127015532,11.024050306228565,44.833320960145805,2.4792042101584486,35.70707292894819,15.162098672145863,15.992820875632523,11.811077589349724,4.101548349442437,72.44640109176603,3.1608418638073883,16.583119802988943,0.8123989979825487,0.2428885904771808,76.53127822028715,6.585207429403205,30.52125117931897,0.2630469883637659,1.0525631554616726,5.580635588470813,22.33943206243914,3.1778769904679276,35.1786752696733,5.75283226733134,2.8964298811912585,8.763479646155659,4.220024866914652,27.695052178510103,0.393820119684148,9.383191047458311,16.84109515737312,3.1474248856653446,17.761109924788816,0.729248771327803,19.853806596481814,3.842894816746248,5.051795783266749,4.0417343346519985,0.626379087824448,32.52870195183719,1.0737885726780207,7.138073141612521,0.1406495291480938,0.06778730149759099,30.31251989351715,2.0759818536819687,12.152644479668002,0.057185865498641186,0.4850599604460505,16.87263129356649,23.00493434286759,13.545656513120797,140.95518096797568,52.06215658455323,3.512648287461747,31.8318500533143,26.263167594375307,92.3543860244967,2.4236848521631096,14.840212987959017,70.17204028610907,16.340851919352435,57.682972674980945,3.6397422870930836,42.496068856550494,20.112436273499615,23.20227871659192,14.167651572723177,4.7693429450907505,92.79203758509384,3.5625129386271754,22.8311911109956,1.1298908087765847,0.36172966969118975,102.71428831937178,9.462172401378133,37.76467909192764,0.41571815057031924,1.2284418211569395,9.168062535469842,23.298760144155153,9.01698143974537,76.98792223118859,17.096070353687402,3.9059619841497186,24.72366476024003,16.38928616383165,66.59514431942769,0.825303293239011,12.629365127362691,40.24116302172105,7.7476445805309275,45.588797962587904,1.3832798543514306,29.33435296896147,21.103333608329358,10.097075482549304,19.288024608265232,4.748964662933237,55.71527293218771,11.064906334073484,11.837449627136156,1.6223456383976314,0.1332117741540433,55.48554682551295,3.7923520664156363,33.348241099303394,0.13092918026337189,1.0016647682553768,105.63257756030018,0.8707657218310203,0.49602375374999497,0.9872261910192172,0.008138045541325656,0.5662795212264922,0.6197929144876361,0.5999928535232008,106.99936703588119,144.80941576989306,297.43365661835037,0.9808392865288257,1.786065289237329,92.4818064197644,0.5321823672706785,0.093745120493482,0.9932773845791821,0.005715769731859482,0.4342125253496659,0.22806241270215788,0.021430804353961663,93.10773390752856,57.93679425635884,155.65839925861098,0.9899160768687731,0.6837057424057855,100.40201385118196,0.6098852909573012,0.2535174141803338,0.9914738640841174,0.006022641408067565,0.5116332121202378,0.3042111054206307,0.15673165564252098,101.26541655631961,86.84198690228692,203.6312156410878,0.9872107961261762,0.9725759731833895,104.18829281892626,0.873077803257317,0.4770397082611351,0.9872073351560708,0.008272607106016452,0.5509158206009639,0.6235604705983493,0.5549453156059675,105.5384103304447,141.08293141059966,290.0150135184924,0.9808110027341063,1.7294216068052806,103.44071912685587,0.6633130857299179,0.33087896601610617,0.9904802710077879,0.0063514497043573575,0.5430361370914504,0.3598990796742249,0.26698044226986895,104.4349111786019,103.05941713076429,230.1971195727814,0.9857204065116818,1.1699156590355442,105.94125556859692,0.9093551226195302,0.5253426242012832,0.9866385563757801,0.008468889863527378,0.5695925246522465,0.6758780768469829,0.6730175768431633,107.37595331541773,152.47140366608178,310.45793209858687,0.9799578345636701,1.9184881783423928,104.47168253068372,0.8852232946190668,0.48016532072497575,0.9870991458799898,0.008364019195104972,0.5539207025038276,0.6410871339130605,0.5622412552059723,105.83707114602777,143.06949948040665,293.31262777590223,0.9806487188199848,1.7572490916228605 +UMLCN0440,L,anisole,COC1=CC=CC=C1,Aromatics,Ethers,C7H8O,NREL (2014),IQT,PubChem,,6,0,0.9047999999999999,0.8186630399999999,37.59930000000001,18.456343999999994,6,6,16,8,8,0,7,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1273.945359999999,1346.7694079999994,1566.676872999999,1299.3589669999992,674.4026149999997,265.37632900000017,54.524736,3.0481920000000002,0.0,3429.6790446571085,4064.4533456117697,5056.735605271326,4502.981764689687,2929.701557365879,1672.0934187863875,645.4489320676558,93.25123329279079,0.0,119.88303999999997,122.25191999999998,192.59659600000006,196.1157560000001,163.46032400000007,127.70045199999998,68.78131199999999,20.155392,0.0,23.722407238791988,28.320434480000003,36.274565772547014,33.94724362139602,24.241203621396004,15.788925704792003,7.121854669094002,1.3338387145469999,0.0,2552.3529946264925,2292.433175073201,3835.7784127501977,4041.290719036997,3507.564322351997,3016.3002306833423,1721.996102997094,554.7529560727469,0.0,47.02777777777778,51.5,72.83333333333333,68.66666666666666,51.66666666666667,31.5,14.0,3.0,0.0,79.62158499999994,84.17308799999996,62.66707491999996,49.97534488461535,30.654664318181805,14.743129388888898,5.452473599999999,1.016064,0.0,214.35494029106928,254.0283341007356,202.26942421085303,173.19160633421873,133.16825260753996,92.89407882146597,64.54489320676558,31.083744430930263,0.0,7.492689999999998,7.640744999999999,7.703863840000002,7.542913692307696,7.430014727272731,7.094469555555555,6.878131199999999,6.718464,0.0,1.4826504524244992,1.7700271550000002,1.4509826309018805,1.3056632162075392,1.1018728918816365,0.8771625391551113,0.7121854669094002,0.44461290484899996,0.0,159.52206216415578,143.27707344207505,153.43113651000792,155.4342584244999,159.43474192509078,167.57223503796345,172.1996102997094,184.91765202424895,0.0,2.939236111111111,3.21875,2.913333333333333,2.6410256410256405,2.3484848484848486,1.75,1.4,1.0,0.0,0.17036925527668256,-0.04322181533526566,-0.039269319987620434,0.006435707378184366,-0.022354319247298228,-0.009273980090660515,0.012598153050494002,0.00990094659382521,0.0,543.0541349999999,20.945973000000283,-72.07837668749977,-131.65427362499992,-262.9447668749999,-2.6182466250002676,77.60924662499976,99.21337668749987,0.0,844.7408722303502,-46.18524912435605,13.373426402154607,-213.72881095794048,-415.2253392949533,5.7731561405444864,80.88520284651996,152.73717787285534,0.0,1.007631,0.018387000000000955,-0.305412937499998,-0.1723158749999989,-0.1923431249999999,-0.002298375000001719,0.0965006249999983,0.05366718749999931,0.0,3.861248463396001,-0.48248083799999786,0.34846120778775125,-0.9549887205989989,-1.7084003364479998,0.060310104749998594,0.20609888892449865,0.6003754618867493,0.0,21.566442591639728,-3.103814895531235,2.26262070683502,-5.25843266024196,-9.086578759323773,0.387976861941397,0.8833204513846487,3.1316869991160394,0.0,7.442708333333333,-0.14409722222222254,-1.896592881944445,-0.7055121527777782,-2.697265625,-0.2532552083333329,0.9906684027777783,0.9847005208333336,0.0,0.01064807845479266,-0.0027013634584541037,-0.0015707727995048174,2.4752720685324486E-4,-0.0010161054203317377,-5.152211161478064E-4,0.0012598153050494003,0.0033003155312750702,0.0,33.94088343749999,1.3091233125000177,-2.8831350674999907,-5.063625908653843,-11.952034857954542,-0.1454581458333482,7.760924662499976,33.07112556249996,0.0,52.79630451439689,-2.886578070272253,0.5349370560861842,-8.22033888299771,-18.873879058861515,0.3207308966969159,8.088520284651995,50.91239262428511,0.0,0.0629769375,0.0011491875000000597,-0.01221651749999992,-0.0066275336538461115,-0.008742869318181813,-1.276875000000955E-4,0.00965006249999983,0.01788906249999977,0.0,0.24132802896225006,-0.030155052374999866,0.01393844831151005,-0.0367303354076538,-0.07765456074763635,0.003350561374999922,0.020609888892449864,0.20012515396224975,0.0,1.347902661977483,-0.19398843097070217,0.0905048282734008,-0.20224741000930616,-0.4130263072419897,0.02155427010785539,0.08833204513846486,1.0438956663720131,0.0,0.4651692708333333,-0.009006076388888909,-0.0758637152777778,-0.027135082799145317,-0.12260298295454546,-0.014069733796296273,0.09906684027777783,0.32823350694444453,0.0,-0.2536949243868719,-0.14751701973024237,0.023246185488221473,-0.09542617709342595,-0.048386299775609494,0.11831386389554278,0.30994470460438905,0.0,0.03857069056292203,-0.08494578736611565,-0.14918957304037747,-0.35214271543530873,-0.0042856322847694955,0.2286600664591195,0.9743743301024667,0.0,-0.05467386584765833,0.01013209278578037,-0.15569913384290235,-0.35748485111708617,0.006074873983073126,0.15320239473288055,0.9643173531284173,0.0,0.018247751408998886,-0.1939839881861502,-0.10523747131791081,-0.13882652388712635,-0.0020275279343346204,0.1532316889813804,0.28405735829881806,0.0,-0.12495462091441063,0.05775727076315028,-0.15220086769696933,-0.3217801143181074,0.013883846768267587,0.08540196918308972,0.8292661023372238,0.0,-0.1439187238387862,0.06714492880414884,-0.15004600533438575,-0.30642146417015487,0.01599096931542039,0.065532955479793,0.7744592364262662,0.0,-0.019360858409143967,-0.16308840681129,-0.05833378191670708,-0.26356638463006554,-0.030246481611072185,0.21296944250058328,0.7056216468392817,0.0,1.1582053271620938,1.4675606700439296,1.083418224815357,1.0675305836958264,0.6293919090432031,0.1785851267670412,0.0034152324508935103,0.0,0.863463950513884,1.058821854473128,1.0916498614820422,1.2801476272459726,0.9155457348342142,0.6688063004989366,0.0,0.0,1.037624035504209,0.9128882057627358,1.0799106753246626,1.26235574088827,0.9295091891525962,0.7995141025134389,0.0,0.0,0.8553428784942108,1.568913620164525,1.2060630711654752,1.1464085743509451,0.5448307300324556,0.07060918133721564,0.0,0.0,1.160356840710317,0.9032778199006566,1.092730885494169,1.2248895279231966,0.8707972831564058,0.7819421317144464,0.0,0.0,1.1922444310655556,0.9151474569803162,1.0993120927049134,1.2113139938822743,0.8449795277277048,0.7604748903606736,0.0,0.0,0.8712386284114766,1.3088873337998599,1.0593744953437043,1.2456263121063682,0.7977606717984606,0.40307907627711687,0.0,0.0,22.610500272637285,11.430250136318639,17.044654388452486,22.798000272637275,2.8497500340796593,11.43029839078556,0.2499999999999929,0.13502988715536565,0.016878735894420707,-1.6018073109680036,47.967437197782395,5.995929649722799,3.0964179111865957,22.618997963099172,11.434131771098937,17.050944034265264,22.805947147423197,2.8507433934278996,11.434179828649855,0.24926557909870084,0.13543705350762025,0.01692963168845253,-1.5993986370866482,47.9420496116366,5.992756201454575,3.0959943854214886,30.304566650677543,14.952786086309755,23.163829830003486,30.20481803116304,3.77560225389538,14.95278735360917,-0.3989944780580341,0.3994777456819406,0.049934718210242576,-0.7340777766034758,43.09908529896897,5.387385662371122,3.0108014192982044,22.62791704599305,11.438205923105986,17.057547175137344,22.814288146157242,2.8517860182696553,11.438253774851743,0.24849480021892134,0.13586413467458147,0.016983016834322684,-1.5968799218677112,47.91573315711939,5.989466644639924,3.0955551271049577,38.626296666567434,18.772001201114136,30.208608566868136,38.355723100482656,4.794465387560332,18.772001227659473,-1.0822942643391613,0.5357043450713396,0.06696304313391745,-0.49933829208959113,31.491864271720562,3.9364830339650703,2.759783388307264,23.503304251917303,11.838219218897802,17.713285393030866,23.63315489132603,2.9541443614157537,11.838250657103762,0.17313418587830398,0.17636744306467497,0.02204593038308437,-1.388148572454993,46.7329894480355,5.841623681004437,3.075560261957378,21.958155690005686,10.999973186518636,16.388681476330813,22.10545211558449,2.7631815144480614,11.000053640772018,0.4136054421768698,0.06544024784821029,0.008180030981026286,-2.181294239426633,50.148536837105,6.268567104638125,3.1319914706012937,0,11.849999999999996,15.994916394316988,-0.3486752134076152,0.10516464507001796,4.660590023472356,7.342634062844423,8.0,16.0,13.0,10.0,2.0,3.0,0.0,0.0,0.0,6.0,10.661655999999999,3.766842139130606,2.9841728645763963,2.6191819138397165,2.445171661135498,1.2288830668754946,0.9414285011440499,0.6906605332077985,0.10777026100257965,1.9291361213381402,1.4198048032415767,1.082250302016949,0.9672875764201625,0.3105139719294344,0.2395507694127128,0.08392307051869116,0.08392307051869183,3.7557753417531194,2.8855142100806908,2.645815031898684,2.482016219784647,1.0919790865263836,1.0533366226901493,0.7671901800872671,0.2709139018929371,1.914982218239508,1.3883819696295019,1.0071675921888004,0.9042922750196075,0.15015625861415738,0.08379991984169098,0.1074360564868026,0.2709139018929371,3.8266515076390526,3.1382702169934955,2.7718202154797864,2.6515946657921505,1.5625836039616063,1.5177937868953855,1.3366071294252115,0.9439184268026224,1.8163257787575269,1.0645574854341535,0.7986202314843525,0.6816023479295384,0.396843082714421,0.4723737819758105,0.6807411957730698,0.9439184268026208,3.758630551415426,2.8730519315057106,2.665925019264033,2.511487349839016,1.1348113653661844,1.1047208837373395,0.8284172466623534,0.39927724550898225,1.9065896046272308,1.3701574793446885,0.9602789912487917,0.8611664871660687,0.041902902363461864,0.0036785154352015036,0.13527559553695306,0.3992772455089819,3.847175440043856,3.1887691089011523,2.8380785876458883,2.728062376977435,1.721464227378562,1.6841053128674708,1.5236632967913044,1.2076448229620877,1.7954445990722223,1.0065876786578976,0.7385642758080624,0.6101651051074328,0.5943111067077892,0.6347613908023457,0.845625821497553,1.2076448229620869,3.8126845495916224,3.1728279105219337,2.7051424250036824,2.5290434382912426,1.5554731840561953,1.2174906812375978,1.024048233510584,0.5121951219512196,1.8601485891503171,1.1765979709540042,0.9056501867755276,0.8241679919582856,0.05618781224156334,0.13593859518942802,0.4235815677308686,0.5121951219512193,0,0,0,6,0,0,0,0,0,0.0,0.0,0.0,0.10206207261596577,0.07216878364870323,0.0,0.0,0.0,0.032075014954979206,0.013094570021973102,0.20412414523193154,0.0,0.0,0.0,0.06804138174397717,0.0,0.0,0.0,0.49279927982674443,0.5948613524427102,0.49279927982674443,0.14660880187581576,0.14660880187581576,0.09773920125054386,5.819990956308912,3.931851652578137,2.9122841352177495,2.302095140581215,1.5953879568423455,1.1051717155225391,0.348461712529338,0.14433756729740646,0.727498869538614,0.4914814565722671,0.3235871261353055,0.2302095140581215,0.15953879568423454,0.1105171715522539,0.0871154281323345,0.07216878364870323,4.794999636411992,2.523056038218754,1.5171766748170734,0.9789074255654431,0.5565779913075293,0.3163784310243653,0.07155006120659765,0.026189140043946204,0.599374954551499,0.31538200477734424,0.16857518609078592,0.09789074255654431,0.05565779913075293,0.03163784310243653,0.017887515301649413,0.013094570021973102,9.882110319560352,15.88201019664967,15.250980392156867,15.440000000000007,10.674457485029938,120.49562514970061,0.617631894972522,0.9926256372906044,0.9531862745098042,0.9650000000000004,0.6671535928143711,7.530976571856288,2.19599,35.055,31.311335179564956,44.10503795080262,62.62267035912991,7.827833794891239,31.311335179565006,0.10680307413318396,0.013350384266647995,-1.7894148550813747,44.797410666305446,5.599676333288181,3.0417202720987855,60,0.0,0.0,1.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.914166666666667,10.590462962962963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.482222222222222,0.0,0.0,0.0,0.0,2.482222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.662037037037037,0.0,0.0,0.0,0.0,9.680740740740742,0.0,0.0,0.0,0.0,0.9097222222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.914166666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.914166666666667,0.9097222222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.47305555555555556,0.0,0.0,0.0,0.0,0.47305555555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.662037037037037,0.0,0.0,0.0,0.0,1.9166666666666667,0.0,0.0,0.0,0.0,0.9097222222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.914166666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.914166666666667,1.9608333333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5177083333333333,0.0,0.0,0.0,0.0,0.5177083333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.662037037037037,0.0,0.0,0.0,0.0,1.9608333333333334,0.0,0.0,0.0,0.0,0.9097222222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.914166666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.166666666666668,2.1458333333333335,0.5359722222222223,4.914166666666667,0.27208333333333323,0.9097222222222223,3.794485925925926,0.7569444444444444,1.4141666666666668,2.828333333333333,0.7569444444444444,1.4141666666666668,2.828333333333333,3.83333,0.47917,0.0,0.02083,0.54792,0.79583,0.43333,0.4803,0.79583,0.11458,0.06761,-0.04697,0.0,0.60209,0.1122,0.0,0.13043,0.13043,0.0,11.0,1.375,4.5,0.5625,6.5,0.8125,2.0,0.25,0.5,0.0625,3.01453,0.37682,8.02289,5.00837,0.62605,1.44723,0.1809,3.93185,2.48462,0.31058,-0.01785,-0.00223,0.06815,0.00852,0.375,8.01,0,1,1,1,0,0,0.14285714285714285,1.271782221599798,2.251614471810182,2.5550365325772657,3.1556390622295662,3.452819531114783,3.1556390622295662,20.34851554559677,36.02583154896291,40.88058452123625,50.49022499567306,55.24511249783653,50.49022499567306,0.3179455553999495,0.5629036179525455,0.6387591331443164,0.7889097655573916,0.8632048827786958,0.7889097655573916,2.728217778400202,1.748385528189818,1.4449634674227343,0.8443609377704338,0.5471804688852169,0.8443609377704338,0.2993888708258176,0.5300501161294321,0.6014783737460774,0.7428655626167795,0.8128244938708364,0.7428655626167795,10.764027830197577,17.27636205494226,20.917426784147267,24.789388758871958,25.08889467443598,21.522729047813378,27.914853307191525,24.712370055513823,21.631197505148943,17.466917186688697,16.85845859334435,20.509210153410447,6.125,3.111111111111111,1.8,2,7,0,2.12,0.9160000000000007,0.0,1.341230759999709,0.4999999999999999,0.0,6.083643418932058,3.041821709466029,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.344,0.35000000000000003,0.738,0.678,3.78,9.0,10.0,10.0,10.0,4.0,2.0,0.0,0.0,0.0,61.0,2.4849066497880004,2.917770732084279,3.3586377672433594,3.7524409356036807,4.150055169236106,3.2700441114426,2.7842393394597567,0.0,0.0,0.0,5.3462142747402535,3.423155737704918,0.4,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.125,2.0,0.25,0,3.0,5.0,0.6666666666666666,1.0,0.44444444444444464,0.1875,0.15111111111111114,0.0625,0.0,0.0,0.0,0.0,0.0,0.125,0.04938271604938274,0.026785714285714284,0.05037037037037038,0.0625,0.0,0.0,0.0,0.0,0.0,0.3140388007054674,16.427289909297677,24.539179878650465,32.854579818595354,4.106822477324419,16.427290200017914,0.07755761457499238,0.009694701821874048,-2.045387363957745,52.854475777570336,6.606809472196292,3.174033917638171,9.23,107.25274297922793,4.0,3.5553480614894135,4.290459441148391,5.043425116919247,5.796057750765372,6.555356891810665,7.311218384419629,8.071843149609158,8.82834762005316,9.589256144850811,75.04131256106584,2.833213344056216,0.0,3.970291913552122,0.0,5.342334251964811,0.0,6.803505257608338,0.0,8.298290634359283,8.556606193773073,108.057514876,6.75359467975,15.692665461309003,1.9615831826636254,2.761188404983744,2.761188404983744,0.0,64.0,7.0,1.267,34.0,1.2305814838100637,2.1533328389922755,2.9973693040489877,3.8343798090597234,4.328101472090751,5.260649927801056,6.0273133026968715,0.0,0.0,0.0,112.7327020947346,144.44206939585627,154.41389698010147,123.1832737591163,69.10432689342058,28.378590963916974,6.1241360635913935,0.0,0.0,0.0,329.6805758239519,456.9908927935165,526.1777068256996,514.9408207773753,424.6835528962226,337.247930027776,187.35146630617578,0.0,0.0,0.0,9.47510871047353,16.63935364418831,22.680669679148323,28.631841219737172,30.90452194243394,36.17246469415534,40.49428744089004,0.0,0.0,0.0,2.2561385350503866,3.242158556801088,3.9487550662811706,4.202557889646186,3.9464239029163144,3.7281651801479123,2.6798212759470754,0.0,0.0,0.0,175.1584145692834,327.47479306428227,462.9757420798717,614.6039906597284,719.4668832361665,906.756120271419,1114.556623949227,0.0,0.0,0.0,4.122105605494683,6.454405824309509,8.117356653202801,9.129328363974578,7.8943126787616364,7.337413439959692,6.0273133026968715,0.0,0.0,0.0,0.499724428393161,0.7329615015254687,0.9025540419379795,0.9673691068265948,0.8773004441956214,0.8244532118798565,0.6171968821961596,0.0,0.0,0.0,224.16497312978169,132.92963605341743,13.217394517210167,85.9321392970281,-50.95768461307353,-10.747984039251097,138.23283383275358,183.88732066649095,23.965378556461264,0.7228863609063431,0.4286709895913395,0.042623404048400426,0.2771136390936568,-0.16432814937965842,-0.03466005844149185,69.51291087477871,41.22109629611149,4.09867587359282,26.647308260666804,-15.801830854470179,-3.332918814981205,0.1267256502311901,0.5879537691590906,0.7372898989403708,12.50795909358562,288.8234005302522,21.27371189655759,0.931396614015299,0.0686033859847008,678.6363847188846,26.05065037036282,8.787777387177483,757.1942348412134,27.51716255069213,9.11456121788954,1091.0596339121485,33.03119183305605,10.294758491619625,1.7412765635738916,1.7412765635738916,372.75138235886567,299.2814425721543,101.2476025160932,1.2454877895377638,3.681582310056352,2.9559360926554663,3.612210444246752,3.7855247285438245,6.49429070599232,0.7155589176379452,2.639619181532545,1.3786295349462694,5.1358105533086515,6.836322367461966,2.049408197202917,3.7536772010320436,3.0651736441777233,2.9671915678269047,4.037199780405647,1.108196691814624,0.009307523726389735,1.6835198060843948,7.841326735082952E-12,1.1836884543063383E-44,3.4551865040409282E-99,1.9452958378295927E-175,2.112397967614018E-273,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2216388724996306,1.546206441103898,0.4880229974962546,1.6205283277626574,0.19400825832498608,1.9562499373221927,2.1817256019438793,0.6443685759614808,0.14659850093964308,0.09060556452397406,4.077669848594466E-4,0.011857167647729504,5.5227105343506205E-14,8.336814568303615E-47,2.4335161062270236E-101,1.3700877643502833E-177,1.4877791606727843E-275,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7151983022678217,1.2345772816975769,1.1756245852929885,1.7618824952338867,0.5726526445001955,1.605088807630712,1.8699585189532804,0.9478316700037975,0.5779837426619829,0.29406539930825243,0.001562331821253977,0.12356082881365059,5.755090180013697E-13,8.687603551954186E-46,2.5359114077665635E-100,1.427737084774873E-176,1.5503805937972715E-274,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4915932332388544,1.5455713427131874,5.588748009475694,6.79957671291301,1.9358673672777795,4.0385737358558975,3.272307093496322,3.160108530539807,3.72086617494929,1.0443969532167068,0.008528470241693547,1.4999858379008795,6.986480949300069E-12,1.0546451022015972E-44,3.0785089695035237E-99,1.7332235692899474E-175,1.882108558497581E-273,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0540120321750985,1.1161557836498575,1.514952580979885,2.069939830794187,0.8325856822636247,1.610669342971953,1.824482427739169,1.1065515973472502,0.9691067446265793,0.434996575655006,0.0025514852639562952,0.2683906312001176,1.2500824904282536E-12,1.887063581000982E-45,5.508338442958508E-100,3.1012357318228853E-176,3.367633821858053E-274,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1876976006221907,1.4843745461256492,6.84895297934337,9.289612262969094,2.470127017871338,4.546893117534112,3.5420818540993317,3.887645491973666,5.5528788006214835,1.3461293924859956,0.012457943658929676,2.4552554173347607,1.1435838102898557E-11,1.726298365703074E-44,5.0390647922814945E-99,2.8370311575119296E-175,3.0807339092815275E-273,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3850349394482278,1.7477140695490612,3.558863509294433,4.037860327600841,0.9143116285272671,3.6469965794564483,3.195265336950842,2.124295630834017,1.5052158272834077,0.5732759242375293,0.003609533956134466,0.44166105561167046,2.057123789513136E-12,3.1053337795900965E-45,9.06446905581231E-100,5.103363857720704E-176,5.541746006649506E-274,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.886035495563787,1.5629359069805544,0.21079976427474034,0.6866064688880039,0.2761482506825377,0.5428042646844979,0.43242920284567044,0.3210938117119928,5.659771166819081,7.222266299013764,14.162356060137306,0.5299097033320058,1.2963272792421612,2.6437429258694274,0.8153185233727581,0.15902934316579675,0.7307011010936826,0.22534495958022419,0.2541815442101964,0.11750388833062783,0.13592663365593388,3.6180907924079824,2.7055848487401506,6.666462210105267,0.596051651640524,0.507612066196758,3.0360457536759013,1.0985398392947474,0.15875720989729347,0.707151954334471,0.25587051622361145,0.3314339251885114,0.21352098267498054,0.17317230403846312,4.293342802867943,3.9916124871561918,8.814445069373322,0.5607279315017066,0.718127211901955,3.820715063126352,1.5105539168046838,0.21757684625603124,0.6885603209761166,0.27222848933301014,0.5246960246445491,0.40385677637472306,0.3327844153906056,5.548845826187067,6.931356794796169,13.735924783698907,0.532840481464175,1.2613372164098777,3.2665991819021962,1.2451450967208721,0.16044902973610986,0.6991575404334863,0.26650119430913555,0.38349938809642875,0.274425698789154,0.18655144779492677,4.672193308359178,4.791294946220448,10.11609702630513,0.5487363106502294,0.8444765346805096,4.012067140392473,1.6262919658966435,0.22190530079412785,0.6846222050225458,0.2775117047502089,0.5785901212957116,0.4682018491392589,0.35505201987557145,5.860264407083244,7.775974330524596,15.084124792601127,0.5269333075338187,1.401843990310542,3.8351738875801886,1.5286633664267806,0.2112350350852943,0.6879146473282114,0.2741961515759428,0.5286512670268182,0.41364587007878567,0.31911894481789294,5.5750722890922635,6.995720176362385,13.809197956506022,0.5318719709923171,1.261416081923497 +UMLCN0441,L,4-methylanisole,CC1=CC=C(C=C1)OC,Aromatics,Ethers,C8H10O,NREL (2014),IQT,PubChem,,7.4,0,1.3512000000000002,1.8257414400000005,41.8813,21.549929999999986,6,6,19,9,10,0,8,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1420.2416089999988,1515.2477049999995,1870.3603949999986,1658.497608999999,907.4806079999998,483.8309740000001,235.062745,72.642528,9.144576,3915.3634352682993,4717.443480102135,6111.757258433296,5976.267777549597,4280.70975143256,2423.5216059338827,1200.2701093228673,688.4196982231118,279.75369987837234,140.86048399999999,144.02770000000004,234.95065200000013,240.4656520000001,247.69812000000013,189.9268480000001,97.61769999999999,42.705792,60.46617599999999,27.40053304848999,33.336423100000005,44.29974879709401,45.31708367169802,36.60336541079203,22.60180807788598,10.401514317094003,6.68126586,4.001516143641,3048.9826547649905,2725.472626589001,4797.242628715844,4843.779413445899,5445.887120529293,4553.3328376863865,2251.220741462644,918.7352862774,1664.258868218241,51.80555555555556,57.5,82.83333333333334,85.44444444444443,72.16666666666667,45.33333333333334,25.5,12.0,9.0,74.74955836842099,79.74987921052629,60.334206290322534,51.82805028124997,26.690606117647054,17.919665703703707,18.081749615384616,12.107088,1.016064,206.0717597509631,248.28649895274395,197.15345994946114,186.7583680484249,125.90322798331057,89.76005947903269,92.32846994791286,114.73661637051863,31.08374443093026,7.4137096842105255,7.580405263157897,7.579053290322585,7.514551625000003,7.285238823529416,7.034327703703707,7.509053846153845,7.117632,6.718463999999999,1.4421333183415783,1.7545485842105266,1.429024154744968,1.4161588647405632,1.076569570905648,0.8371040028846659,0.8001164859303079,1.11354431,0.444612904849,160.47277130342056,143.44592771521056,154.74976221664014,151.36810667018435,160.17315060380272,168.64195695134765,173.17082626635724,153.1225477129,184.917652024249,2.726608187134503,3.026315789473684,2.6720430107526885,2.6701388888888884,2.122549019607843,1.6790123456790127,1.9615384615384615,2.0,1.0,0.16852802657418167,-0.042146141056071874,-0.0283671720160506,-0.00874193249318712,-0.04134813072480331,0.04477983722026053,-0.019000215591560704,-0.00278329774265808,0.013343039116980374,634.7270885263156,22.257657684210884,75.02698903601132,-295.05593688642614,-326.9421377839337,163.24378440997205,-38.90030583379511,-181.56094121883652,264.5673463296396,1006.3292143725103,-48.16277967613728,260.37535960300835,-489.576341937652,-556.576131047514,119.90646474671033,129.6284812760084,-334.71945907544944,415.9597989247694,1.040601684210526,0.030202947368422158,-0.22507137950138306,-0.20407736288088488,-0.1563642770083107,0.19232223822714425,-0.2644129418282542,-0.024096531855956036,0.1311964653739595,4.564428637705786,-0.49796109263157323,1.4000225843345573,-2.0938516260470097,-2.3809694767846805,0.03257874978408276,1.076046053903193,-1.478459467486038,1.6603799560745687,25.359407364232084,-3.1940290339473645,7.906488828036347,-11.277227017141325,-12.788410109873862,-0.6382216289454162,6.6007777302615,-7.993635461046972,8.704553010541044,8.049707602339183,-0.41959064327485396,0.1937519236688212,-1.7211449676823647,-4.06994459833795,2.5492459218220995,-1.4696829793782693,-1.4981532779316713,2.410664819944599,0.008869896135483247,-0.0022182179503195724,-9.150700650338904E-4,-2.731853904120975E-4,-0.0012161214919059798,0.0016585124896392788,-0.0014615550455046695,-4.6388295710968E-4,0.0014825599018867082,33.40668886980608,1.1714556675900465,2.4202254527745586,-9.220498027700817,-9.615945228939225,6.0460660892582245,-2.992331217984239,-30.260156869806085,29.396371814404397,52.964695493290016,-2.5348831408493306,8.39920514848414,-15.299260685551625,-16.369886207279823,4.4409801758040865,9.97142163661603,-55.786576512574904,46.21775543608549,0.05476850969529084,0.001589628808864324,-0.007260367080689776,-0.006377417590027652,-0.004598949323773844,0.007123045860264602,-0.02033945706371186,-0.004016088642659339,0.014577385041551054,0.24023308619504138,-0.026208478559556485,0.04516201884950185,-0.06543286331396905,-0.07002851402307884,0.0012066203623734356,0.08277277337716869,-0.246409911247673,0.18448666178606318,1.3347056507490571,-0.1681067912603876,0.25504802671084986,-0.3524133442856664,-0.3761297091139371,-0.02363783810908949,0.5077521330970385,-1.332272576841162,0.9671725567267827,0.42366882117574645,-0.022083718067097576,0.006250062053832942,-0.0537857802400739,-0.11970425289229265,0.09441651562304072,-0.11305253687525149,-0.24969221298861188,0.267851646660511,-0.2500838698038171,-0.10316581514108518,-0.0307991645267686,-0.13710662146775224,0.1869821770521691,-0.16477701916461523,-0.05229857824985759,0.16714512540410215,0.035066500369297045,0.07244733119785562,-0.27600754039513825,-0.2878449063424059,0.18098369798998043,-0.08957281667890149,-0.9058113178392869,0.8799546680297812,-0.0478598643349223,0.1585812033894959,-0.28885771065161425,-0.3090716571636608,0.08384793180519097,0.18826543877476437,-1.0532785281403607,0.8726143897483696,0.029024503637370386,-0.13256462739416194,-0.1164431463537888,-0.08397068588063618,0.13005732490977498,-0.371371380687043,-0.07332842659044736,0.266163624364686,-0.10909604074385591,0.18799250163583017,-0.27237240444409544,-0.2915023701865272,0.005022706828125248,0.34455192949553504,-1.025711799945894,0.7679485982055004,-0.1259504604375081,0.19108934360749355,-0.26403824999758313,-0.2818072351029962,-0.01771015062071819,0.3804225544501743,-0.9981770707971982,0.7246335970661327,-0.0521249545949873,0.014752235098367764,-0.1269524155466764,-0.28254203970000635,0.2228545290659348,-0.26684176702338686,-0.5893570650199781,0.6322193970214312,1.17419016520635,1.4022946288490934,1.1337577277181115,0.9436068747775637,0.3814732297409748,1.9098942075396161,0.2365091639859623,0.03432393915595527,0.9272294555811157,0.932050142368044,1.2325033093712314,1.2038597024672228,0.7077216162980509,1.1314971303623402,1.716633968671129,0.0,1.0921163588998937,0.8065328964161451,1.2613576757082257,1.2373164990051766,0.8316861541707689,0.6368550682684448,2.0134034588436287,0.0,0.8585514696153523,1.4768138386282175,1.1771128603633767,0.9041784780241335,0.34766424606978397,2.298383305304807,0.20511594708971997,0.0,1.2008168970410706,0.8034869302419169,1.273360645596766,1.2131293776249654,0.8634955268123207,0.4662651303384543,1.9844364503404137,0.0,1.2288263941731916,0.8157518237592056,1.2753042512558126,1.1993252867502313,0.8635194518004629,0.44776896399234284,1.940195742327863,0.0,0.9513258263712311,1.1150475141487877,1.1219351616418451,1.182907416508194,0.48425959559268666,1.727248595937299,1.118053033054849,0.0,29.774757990091146,15.012378995045577,22.340469008394297,29.969202434535596,3.329911381615066,15.012380413629748,0.2500000000000089,0.03200451633027057,0.0035560573700300635,-3.097690425738097,59.76282270706839,6.6403136341187095,3.681345396386783,29.783517579233976,15.016391579166335,22.346421729167663,29.97739080742185,3.33082120082465,15.01639299179689,0.24926557909869373,0.032427878453513914,0.0036030976059459904,-3.085863102053348,59.8661355906767,6.651792843408522,3.682899896562769,37.75389608884497,18.677450805393473,28.30824187294633,37.6208979294923,4.180099769943588,18.677450837961803,-0.39899447805802524,0.3515175328637937,0.039057503651532634,-0.9409461199657186,66.09162066448411,7.3435134071649015,3.7719377741384843,29.792711681096037,15.020603240657488,22.352671396200535,29.985985414599657,3.33177615717774,15.020604647066284,0.24849480021894266,0.03287214826721929,0.0036524609185799215,-3.0736165832731053,59.97530688195304,6.663922986883671,3.6845396329895084,46.46745615154481,22.692580943602824,35.54314198777836,46.106691396765086,5.122965710751677,22.692580944165346,-1.0822942643391578,0.5419592441003185,0.060217693788924276,-0.5513080281810048,46.721039806437894,5.191226645159766,3.45977513496293,30.69575603608373,15.434445110981013,22.974744865195955,30.830415958433512,3.425601773159279,15.434446023561902,0.17313418587829688,0.07597902616715713,0.008442114018573013,-2.3195681534409465,76.52619450491362,8.502910500545958,3.9038697846466874,29.156317295846513,14.737682457447068,21.90829203664707,29.385946925476144,3.265105213941794,14.737684393179494,0.4023809523809536,0.08888220101933553,0.009875800113259503,-2.1783990330121186,50.393355790926755,5.599261754547417,3.527873403157747,0,11.996291912426317,15.997943027739844,-0.3774712367589374,0.07561934255453563,4.690131084554128,7.638298044445217,9.0,19.0,16.0,13.0,3.0,3.0,0.0,0.0,0.0,6.0,12.848069999999998,3.800638842016628,3.0794005150212436,2.6421247181613134,2.619181913839715,2.0523972517299107,1.14460654774604,0.9414285011440515,0.314808877452982,1.9565641682302,1.4635068382442065,1.3282668365702766,1.0822503020169478,0.7256869021983787,0.3105139719294343,0.08392307051869112,0.08392307051869116,3.7923925894744563,3.0084958994799393,2.6528044168845595,2.645815031898683,2.100030254689477,1.0533366226901488,0.961597489363068,0.4463989442456176,1.9403608148634297,1.4376297161500438,1.2364604033631845,1.0071675921888008,0.6542582004083709,0.1501562586141575,0.10544425263651097,0.2709139018929369,3.8561224694114897,3.2140519981310693,2.8997177021232377,2.771820215479793,2.3383987445848016,1.5177937868953861,1.4705048066064634,0.9568632980303443,1.848519894332577,1.1568072738680557,0.9229749276934844,0.7986202314843529,0.3645780652421931,0.39684308271442115,0.6635576316880879,0.9439184268026211,3.795486736885127,3.00410266993631,2.678619819912824,2.6659250192640327,2.1369350485217,1.134811365366185,0.9410804821248555,0.5415145580272739,1.9310144215943068,1.4221516510611927,1.1767095516636257,0.9602789912487921,0.6067274134860672,0.041902902363462474,0.11621222539109999,0.3992772455089817,3.875892515889427,3.2589146369910327,2.9988250426554015,2.838078587645889,2.434809244039637,1.7214642273785605,1.5655411483807002,1.2076448229620882,1.8287846986403697,1.1073716200841592,0.8260260976933864,0.7385642758080614,0.27201824057731666,0.5943111067077896,0.7806052161194603,1.1595782179631384,3.8386264687594336,3.2397624477897122,2.7921942374194453,2.722592366672102,2.197186917496336,1.4953574397623846,1.2302146880173273,0.6036897543499707,1.8977571194084617,1.2567788594338245,1.0828901008318252,0.8897421681045676,0.5397736092575177,0.06736989602383806,0.43646937987608964,0.5217391304347826,0,0,0,5,1,1,0,0,0,0.0,0.0,0.0,0.08333333333333333,0.1422588984322123,0.0,0.0,0.0,0.027777777777777776,0.03911800806844064,0.49279927982674443,0.0,0.0,0.0,0.23470804841064383,0.0,0.0,0.0,0.9010475702906076,0.9374437015703676,1.0690355937288492,0.339058891605691,0.2923121911995768,0.27432316247152055,6.69023444431199,4.325698502695489,3.534145948150093,2.7127787431041743,1.737363539578557,1.373773447853214,0.6868867239266071,0.11785113019775793,0.7433593827013323,0.4806331669661654,0.3212859952863721,0.2260648952586812,0.14478029496487974,0.09812667484665814,0.08586084049082589,0.05892556509887897,5.717649367222366,2.9337396407417127,2.0171766748170734,1.2566852033432205,0.6743520127395847,0.438258185085478,0.18556110794677774,0.022680460581325723,0.6352943741358185,0.32597107119352364,0.18337969771064302,0.10472376694526837,0.056196001061632056,0.03130415607753414,0.023195138493347218,0.011340230290662862,11.423938123346227,18.769847050254914,17.976470588235298,18.200000000000003,12.4730119760479,143.52388023952096,0.6012599012287488,0.9878866868555217,0.9461300309597526,0.9578947368421055,0.6564743145288369,7.553888433658998,1.7232199999999998,36.63400000000001,36.40309101357062,49.2223906647469,72.80618202714123,8.08957578079347,36.40309101357062,0.09672386680460066,0.010747096311622295,-2.1023055846948897,57.284269091344996,6.3649187879272215,3.643223445091031,77,0.0,0.0,1.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.969166666666666,10.13787037037037,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.922361111111111,0.0,0.0,0.0,0.0,1.922361111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7262962962962964,0.0,0.0,0.0,0.0,7.960648148148148,0.0,0.0,0.0,0.0,2.1772222222222224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.969166666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.969166666666666,0.9172222222222224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4590972222222222,0.0,0.0,0.0,0.0,0.4590972222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6712962962962963,0.0,0.0,0.0,0.0,1.9537037037037037,0.0,0.0,0.0,0.0,0.9172222222222224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.969166666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.969166666666666,2.0266203703703702,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5020833333333333,0.0,0.0,0.0,0.0,0.5020833333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.055,0.0,0.0,0.0,0.0,2.0266203703703702,0.0,0.0,0.0,0.0,1.2600000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.969166666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,18.833333333333336,2.092592592592593,0.5359722222222223,4.969166666666666,0.21055555555555555,0.9172222222222224,4.425438240740741,0.7494444444444444,1.4691666666666667,3.1548148148148147,0.7494444444444444,1.4691666666666667,3.1548148148148147,4.33333,0.48148,0.0,0.01852,0.52982,0.78519,0.43333,0.47467,0.78519,0.09649,0.05516,-0.04133,0.0,0.61321,0.10108,0.0,0.23077,0.23077,0.0,11.5,1.27778,5.0,0.55556,6.5,0.72222,1.5,0.16667,0.5,0.05556,4.33312,0.48146,9.88205,5.54893,0.61655,1.80047,0.20005,4.32569,2.52521,0.28058,0.08831,0.00981,0.17431,0.01937,0.3157894736842105,9.01,0,1,1,1,0,0,0.25,1.2363864108712896,2.5895183026895365,3.1158340921632206,3.536886723742169,3.6421498816369056,3.431623565847432,23.4913418065545,49.20084775110119,59.20084775110119,67.20084775110121,69.20084775110121,65.20084775110121,0.29105638148448826,0.6095956897791652,0.7334951178668695,0.8326146603370332,0.8573945459545741,0.8078347747194924,3.011541102572296,1.6584092107540487,1.1320934212803646,0.7110407897014164,0.6057776318066797,0.8163039475961531,0.2772520169844205,0.5806834870765067,0.698706552454178,0.7931250047563152,0.8167296178318494,0.769520391680781,10.37256490086565,20.992853487142856,23.83742981303759,26.575919293458643,25.52493508966917,24.155690349458645,31.88355405923726,23.556226441783355,19.775495343136203,16.410564794178587,17.35706058931273,19.013428230797476,7.111111111111111,3.239669421487603,2.0,1,7,0,2.23,1.0569000000000006,0.16666666666666669,2.746356191876157,1.5905414575341013,0.0,3.3019272488946267,5.656854249492381,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.34,0.338,0.714,0.686,4.256,11.0,12.0,12.0,14.0,8.0,2.0,0.0,0.0,0.0,77.0,2.5649493574615367,3.068052935133617,3.5040547671018634,3.899444223221286,4.385925275089539,3.876395827784995,2.7842393394597567,0.0,0.0,0.0,5.579258016588463,3.426948051948052,0.5,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.1111111111111111,3.0,0.3333333333333333,0,3.0,6.0,1.0,2.0,0.8888888888888893,0.25,0.3422222222222223,0.11805555555555557,0.0,0.0,0.0,0.0,0.0,0.2222222222222222,0.08080808080808084,0.027777777777777776,0.08555555555555558,0.05902777777777778,0.0,0.0,0.0,0.0,0.0,0.47539141414141417,20.69044905025735,31.20338714081266,41.38089810051469,4.597877566723855,20.69044905462632,0.056823779506820715,0.006313753278535635,-2.581020348819094,58.7805829217545,6.531175880194945,3.6664304201550095,9.23,124.54872760509458,4.169925001442312,3.713572066704308,4.465908118654584,5.25227342804663,6.028278520230698,6.816735880594968,7.598399329323964,8.386400901166214,9.169830828637973,9.9572652582166,79.38866433157592,2.9444389791664403,0.0,4.143134726391533,0.0,5.556828061699537,0.0,7.055312843339752,0.0,8.590257762273243,8.83695515733143,122.07316494,6.424903417894737,17.549594430874293,1.9499549367638105,2.764346830126974,2.764346830126974,0.0,90.0,9.0,1.6590000000000003,40.0,1.2328580916295275,2.1414594535761524,3.0280652172470184,3.78412937210416,4.5289247118222855,5.455902126705393,6.480549860468184,6.807529446864291,0.0,0.0,107.72538345246069,140.62039509769312,164.95701881412631,108.57798174639574,89.72169624146834,106.83747913289871,78.46058744907602,6.91688559989872,0.0,0.0,324.50918750206307,449.52435860381456,579.7866956745739,496.70683320345404,423.40572570076307,521.541529648039,743.556363210556,211.60350553236174,0.0,0.0,9.411534328188235,16.299866527024328,22.810018900277562,27.739753136666405,32.007091715558595,41.30052160285855,46.12616906446389,45.73614151769767,0.0,0.0,2.2508058961361153,3.2141355504800866,4.357898978555266,4.184329392909431,3.8738821841154647,4.427618809532958,7.21637942279564,3.0267154422154388,0.0,0.0,175.5281076819334,327.52633881027447,455.9731467482195,603.1203379859895,760.5709107038243,945.2071519058404,992.3183052153671,1258.8323614000792,0.0,0.0,3.8735831973149346,5.945767928045713,8.285077464275533,8.289695860082977,7.889117056741886,11.08944056398755,12.961099720936367,6.807529446864291,0.0,0.0,0.49340912391003033,0.7154804644838609,0.9713546419697267,0.9388664065635349,0.88223150984155,1.0756963516806175,1.5553319665123642,0.6970910153589035,0.0,0.0,273.88650190921874,168.47870274202484,13.523299846202107,86.19629487931745,-53.02283917317665,-9.960285865105057,187.69020702990127,221.50154191520147,23.483585711307164,0.7606209026144133,0.46788878625869595,0.0375560842306606,0.23937909738558677,-0.147251797770042,-0.02766109893040622,98.62181761010024,60.66628248265271,4.869507630430435,31.037802932954005,-19.0926122231462,-3.586527591120353,0.122193495458403,0.5667904403630836,1.310401841402356,11.476640797428585,339.83432401952354,20.248472769012647,0.9437671753563284,0.05623282464367176,742.893154772017,27.256066384788856,9.05681407298492,840.6127647643154,28.99332276170352,9.43768171776566,1240.5502705778804,35.221446173856634,10.744959657885305,1.8993311803402189,1.8323591979353573,549.1900110684438,474.33803274220304,108.49324367964795,1.1578030289781167,5.061974298510769,4.372051352274052,3.9598494498805525,4.34076194754049,7.518215745592786,0.7320036980725623,3.115761959375497,2.377791108153165,5.502966897648712,7.1356486519109685,2.3491836963613246,6.4456686697898515,5.267486123087875,6.243367849723119,2.759535786958311,4.081149663581086,3.8018781041098926,0.17723475271692848,1.4535685245416992,1.6285169571192482,8.306017448303174E-11,1.3751209894274014E-42,4.391677473528506E-96,2.7051782330408543E-171,3.2139360829559185E-268,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.26159823643866814,2.5453073396266745,0.5050550600533559,2.7267799808050324,0.3573528685640309,2.167498165011134,1.987574645261721,0.5992286481973036,0.11869736570163318,1.3711345039757445,0.44927359505194225,0.014870049417651672,0.03223326675795492,0.011469778085144346,5.849996003228493E-13,9.685089565697095E-45,3.093094353282247E-98,1.9052791484976523E-173,2.2636014620659025E-270,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8441920000850531,2.2336823374095784,1.242908143644655,3.102368405668835,0.7619538639404277,1.956113198643141,2.1190610698607,1.3951777839056139,0.457407727318481,1.2570347093611869,0.7360467579531745,0.048000434823403736,0.16319482254783033,0.11952393089259052,6.096146872426727E-12,1.00926100517869E-43,3.2232427949482573E-97,1.9854477705290427E-172,2.35884724806275E-269,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.9410331750348533,2.544726290733716,5.926375845046065,7.094836016920468,2.2265483468053473,6.493151573088638,5.320602095373334,6.334857264674809,2.5269915202746907,4.13432372821893,4.41934375410534,0.16729075860247083,1.3102487052775174,1.4509792897190608,7.400512008700298E-11,1.2252080445306897E-42,3.912905563162021E-96,2.4102651028482127E-171,2.86355918767898E-268,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2441250089924782,2.115266136148255,1.623001462535479,3.453313175620757,1.040285548101032,2.1687702688127906,2.3919584752155267,1.9045711735687345,0.7494071801590046,1.4002857544247744,0.8067029191723228,0.07074688331681003,0.3003546952032948,0.2596219494785196,1.3241645614459296E-11,2.192249767392692E-43,7.001314061692519E-97,4.312657866279104E-172,5.12373142759528E-269,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7627089612711293,2.4835639543260615,7.332547814036647,8.92210890083093,2.804046070264415,8.371267475207384,6.354569662290297,8.277214339449614,3.70101467650814,5.2461260243137735,5.490289074311601,0.2140575915430437,2.048149327829576,2.3750389313733526,1.2113545835766125E-10,2.0054847270463957E-42,6.4048488583848386E-96,3.945248215984859E-171,4.687223726223036E-268,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6963517439844127,2.639058853291337,3.763262353161833,5.0813928715237555,1.19074467584235,4.748535824500541,3.944639013989577,3.7307006312189457,1.1023710442401555,3.023148368937711,3.039265163585553,0.09646889568676485,0.473559223931281,0.4433014023160146,2.2609952978367804E-11,3.743240500520714E-43,1.1954660797506709E-96,7.363812203362628E-172,8.748710698405525E-269,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.480206836973118,1.4492262933210571,0.29073251297276603,0.7590140043509396,0.20071925838329094,0.5426677163361299,0.41619879728971854,0.3520974731205249,7.220165643266941,9.956671348426433,19.485852007441363,0.6385210065264093,1.3109639867463734,3.784055309364891,0.7600476967144381,0.164586462780896,0.8036323767769827,0.16141385023175323,0.2630542741825068,0.11425685106018306,0.09677898457183481,4.708689468860225,3.623960362405459,8.806010788518583,0.705448565165474,0.4740901098145247,4.250978253022033,1.0259813315975066,0.1993600638898544,0.7762472839179706,0.1873486935476401,0.3274659050993456,0.2083825753370026,0.16743868066962014,5.476319648509394,5.413439328561518,11.759252809876873,0.664370925876956,0.7032871611059683,5.428733377517376,1.4045483675079296,0.2912590383155194,0.7619766020865902,0.1971423015490567,0.5329439642836267,0.39071779734090883,0.3557635185917652,7.124540783340825,9.615173672622904,18.96054091551573,0.6429649031298855,1.2794252802163006,4.543949753232964,1.160128703439473,0.2171076432680118,0.7674053266589044,0.19592843120589315,0.3732706354816872,0.26662954563167635,0.19886384175306046,5.921186099940448,6.509965566456262,13.575649053295718,0.6511079899883565,0.838764022866424,5.670308923737776,1.5059481791898857,0.30597445100749815,0.7578366003329003,0.2012699243981371,0.580953770345032,0.4494356473285583,0.3892907753577143,7.4822315539351605,10.734942726504014,20.82994868084115,0.6367549004993507,1.4196801930313048,5.423041036308518,1.4203352939673253,0.2879164194046431,0.7604569363039394,0.19916939940951975,0.5315669930205424,0.3996771690407877,0.34664409349689584,7.131292749680487,9.672856994153635,19.021836497577247,0.640685404455909,1.277888255558226 +UMLCN0442,L,guaiacol,COC1=CC=CC=C1O,Aromatics,Ethers,C7H8O2,NREL (2014),IQT,PubChem,,19.3,0,0.34170000000000034,0.11675889000000023,39.2048,19.258343999999994,6,6,17,9,8,0,7,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1529.913360999999,1542.9533009999993,1938.8977629999988,1938.638881999999,1106.0955049999993,352.06634500000007,58.588992,3.0481920000000002,0.0,3646.0698216214655,4334.45986194254,5547.45799305245,5293.747801374756,3750.117708962992,2167.453685167432,769.7839097913767,93.25123329279079,0.0,133.23475599999998,134.63933999999998,205.54673200000005,222.81677600000012,205.2231320000001,166.3834600000001,95.65516799999997,20.155392,0.0,24.36561123879199,29.080998156,37.83970146254702,36.824514716547014,28.079574674547008,19.26586045909399,8.900306288490004,1.3338387145469999,0.0,2737.8042804289926,2477.8382324714507,3989.342521867298,4348.511009645248,4184.886157246197,3693.4471288452446,2461.6667110940903,554.7529560727469,0.0,81.80555555555556,64.27777777777777,90.00000000000001,112.83333333333333,88.83333333333334,57.5,18.0,3.0,0.0,89.99490358823523,90.7619588823529,74.57299088461534,69.23710292857139,42.54213480769228,16.003015681818184,4.184928,1.016064,0.0,214.47469538949798,254.96822717309055,213.36376896355574,189.06242147766986,144.23529649857662,98.5206220530651,54.98456498509834,31.083744430930263,0.0,7.837338588235292,7.919961176470586,7.905643538461541,7.957742000000004,7.893197384615389,7.56288454545455,6.832511999999999,6.718464,0.0,1.4332712493407052,1.7106469503529411,1.4553731331748854,1.315161239876679,1.0799836413287311,0.8757209299588177,0.6357361634635718,0.44461290484899996,0.0,161.04731061347016,145.75519014537946,153.4362508410499,155.30396463018744,160.95715989408453,167.88396040205657,175.83333650672074,184.91765202424895,0.0,4.812091503267974,3.7810457516339864,3.461538461538462,4.029761904761904,3.416666666666667,2.6136363636363638,1.2857142857142858,1.0,0.0,0.3517655153534174,-0.15821564769573537,-0.0924060749249622,0.19227025637694642,-0.1156812975936481,-0.07352444805438238,0.06175921942156483,0.009915234793508093,0.0,623.4138715294117,-6.323325882352677,6.89802183737045,-25.625401401383854,-372.9429320449826,-310.19717903806236,277.6294654463664,118.85441531833898,0.0,848.504279927926,-2.925310842336531,89.82058409855779,-238.0323501645568,-477.36243938428834,-254.73643031936362,301.16931233590566,157.81449431211882,0.0,1.8185938823529402,-0.2022169411764701,-0.44078570242214377,0.5105491349480982,-0.7199000553633202,-0.5440240830449827,0.3806502145328702,0.10643049134948049,0.0,3.952952404536941,-0.12605366611764404,0.3464712660985046,-1.3380309129524308,-1.8667194520633812,-0.3992520190102793,0.8550063249936926,0.5521022567830682,0.0,22.587003081136928,-0.9837166818676363,1.5677228499308633,-7.50192702584065,-9.982346912131012,-1.09263522943675,3.9319624104995623,2.7674390482771805,0.0,25.882352941176464,-4.94607843137255,-2.517781622452904,6.6414840445982275,-7.614186851211073,-12.506247597078044,6.015186466743563,1.9864475201845453,0.0,0.020692089138436315,-0.009306802805631493,-0.003554079804806238,0.006866794870605229,-0.004449280676678774,-0.00334202036610829,0.004411372815826059,0.0033050782645026974,0.0,36.671404207612454,-0.3719603460207457,0.26530853220655576,-0.9151929071922805,-14.343958924807025,-14.09987177445738,19.830676103311884,39.61813843944633,0.0,49.91201646634858,-0.1720771083727371,3.4546378499445303,-8.501155363019885,-18.360093822472628,-11.578928650880165,21.512093738278974,52.604831437372944,0.0,0.10697611072664354,-0.011895114186851182,-0.01695329624700553,0.018233897676717792,-0.02768846366782001,-0.024728367411135578,0.027189301038062157,0.03547683044982683,0.0,0.23252661203158476,-0.007414921536332003,0.013325817926865562,-0.047786818319729675,-0.07179690200243774,-0.018147819045921786,0.061071880356692324,0.18403408559435608,0.0,1.328647240066878,-0.05786568716868449,0.06029703268964859,-0.26792596520859463,-0.3839364196973466,-0.04966523770167046,0.28085445789282587,0.9224796827590601,0.0,1.5224913494809684,-0.29094579008073823,-0.09683775470972708,0.237195858735651,-0.29285334043119515,-0.5684657998671838,0.4296561761959688,0.6621491733948485,0.0,-0.449775889875893,-0.17176031772472913,0.3318560453062183,-0.21502327033832808,-0.16151198381899315,0.21319127258309417,0.15972665893669447,0.0,-0.010143062532182286,0.00723475247101341,-0.024956582028083332,-0.3911483411870393,-0.3844922789057107,0.5407667508732955,1.0803550967165356,0.0,-0.0034476088235936937,0.06921455181586779,-0.17032281933052112,-0.3678491698457279,-0.23198679337443417,0.43100029334183976,1.0539512358279473,0.0,-0.11119411713561743,-0.1584774033365856,0.17044831367361019,-0.25882847562641764,-0.23115784676752804,0.2541623625440925,0.33163320491694553,0.0,-0.03188848567287779,0.057308786338208365,-0.20551117956872245,-0.30876853782519037,-0.07804620248566094,0.2626446918187444,0.7914538640822677,0.0,-0.0435523330976639,0.045382273692611975,-0.20165319817704844,-0.28896791271550826,-0.03738030396929928,0.2113837664530797,0.6942999277314772,0.0,-0.19109848484848493,-0.06360479797979804,0.15579455266955264,-0.1923513986013987,-0.3733786730945822,0.28220598845598865,0.4349116161616165,0.0,1.3132798038579399,1.1269690029469641,0.7508303901208442,1.369564104494061,1.111179950775782,0.23498401633996954,0.001798823912669366,0.0,0.8453676476988422,0.9019324491779018,0.9564546582285036,1.3549319465562901,1.3615997634405432,0.4438821767100493,0.0,0.0,0.977601323731558,0.875489242295075,1.0880812506319122,1.2500689219715901,1.1436211388738886,0.6064517966222245,0.0,0.0,0.9748314923074379,1.1665533409174011,0.9209394540445399,1.4247558692652937,1.1750097013307483,0.02980764453571368,0.0,0.0,1.10994005285962,0.9438987619458352,1.1661282806685167,1.2014538686862932,0.9342289898722526,0.581944362074508,0.0,0.0,1.1447651240476902,0.9731846842358377,1.1802814683617513,1.1953605762280646,0.8801690690775633,0.5532296775208824,0.0,0.0,1.0292929292929296,0.7968337218337219,0.9150072150072152,1.3459984459984462,1.6332644628099178,0.08831168831168834,0.0,0.0,27.107545887716405,13.803772943858199,19.43535243409429,27.496434776605287,3.05515941962281,13.803777786523444,0.49999999999999467,0.14302054614967794,0.01589117179440866,-1.75029028170727,63.5833229526769,7.064813661408545,3.7371160964122123,27.11971774566579,13.809124451931588,19.443218712085358,27.507464202041533,3.0563849113379487,13.80912926730683,0.4985311581973857,0.14343751520997483,0.015937501689997205,-1.7476701954194145,63.516220647918225,7.0573578497686915,3.7361657848975836,38.084583405119986,18.643297224501982,27.010270770150203,37.818587086414645,4.20206523182385,18.643297257043802,-0.7979889561160256,0.3953917158694977,0.04393241287438863,-0.8350904877578227,55.494466858304214,6.166051873144912,3.6146549875820555,27.132493033453493,13.814741316945678,19.451476895027866,27.51904050046072,3.0576711667178578,13.81474610384512,0.4969896004378622,0.1438747727593236,0.015986085862147066,-1.744930792235362,63.44642322848199,7.049602580942444,3.735176238966545,49.90267234779314,23.86904190955742,35.607802663320236,49.18114283823371,5.464571426470411,23.86904190972208,-2.1645885286782978,0.5169375748186695,0.057437508313185504,-0.5938498411160068,40.02383975905825,4.447093306562028,3.3205277435008664,28.385591504910813,14.365929938333707,20.27065574902529,28.654911349610387,3.183879038845599,14.365932618372034,0.3462683717566062,0.18485138982114008,0.020539043313460008,-1.519382767486375,59.086533072811335,6.565170341423482,3.671102728492352,25.081258904399288,12.81793591973646,18.17307351289067,25.68720498653586,2.854133887392873,12.817951458686242,1.09070294784582,0.0701640097384624,0.007796001082051378,-2.3912278030844103,53.01367057348673,5.890407841498526,3.573494834077193,0,11.996320061010234,15.998259298781898,-0.3827380821493911,0.12703668338873872,4.71939638989819,7.577884541015159,9.0,17.0,14.0,11.0,3.0,3.0,0.0,0.0,0.0,6.0,10.661655999999999,3.7971080126081724,2.9850561305457295,2.7649893016836122,2.475451934730554,1.8040942825030437,1.1684978322810151,0.7424952871307042,0.5851008512267872,1.9121813599487658,1.4198021145759168,1.0565192681439082,0.9474877831425728,0.46743251938004377,0.24240924135082642,0.1093649761734172,0.08392307051869115,3.767629843763501,2.8872571855828633,2.69735240882038,2.496773456457827,1.5695565572758157,1.0824011556574527,0.8626424399943836,0.5299549071437369,1.9153647905747109,1.3883930854668574,1.0494651926366334,0.9218714130703826,0.45398308048191865,0.08380271475336572,0.02560605752076299,0.2709139018929371,3.8443220239551232,3.1383681544748705,2.8772538038240434,2.6739543128333416,2.074560311858921,1.5511865673505183,1.3882932061650046,1.0560932865051922,1.8158634895785504,1.0646245065170616,0.8116287973346163,0.6880517645113465,0.0980665411789899,0.4676146542106826,0.5352918208580215,0.943918426802621,3.7644335340681394,2.8741430699148394,2.693774429271111,2.520774793425174,1.5176261951691137,1.111104924675129,0.9510254542220672,0.5325798442903746,1.917348202448962,1.3702565819205215,1.059183359063814,0.8838416804471527,0.43521766909351955,8.091257878529295E-4,0.05733688869593618,0.39927724550898186,3.856412421853422,3.1888093655945506,2.9052616125302815,2.7464593698946103,2.1500953858852663,1.6903441961462404,1.6041466495858598,1.207644822962088,1.8016283110899973,1.0070259478327335,0.7755035923328277,0.6225185788617312,0.19065439366609474,0.6272223558224217,0.7416687382104556,1.1702430250910254,4.082212325826491,3.527787946099544,3.2015833496210466,2.6202954998946626,2.3227660865804607,1.5213478005516332,1.072226073387043,0.892062962022488,1.8323027576259316,1.155297780979978,0.854453986815539,0.7708249468159112,0.10294754970226226,0.15067292296508197,0.2564769555866407,0.525,0,0,0,6,0,0,0,0,0,0.0,0.0,0.0,0.08333333333333333,0.1422588984322123,0.0,0.0,0.0,0.027777777777777776,0.02376283016566169,0.4023689270621825,0.0,0.11785113019775793,0.0,0.12347528753566925,0.0,0.015214515486254614,0.0,1.069035593728849,1.4082912447176386,1.3047378541243648,0.2542071737623221,0.27465032792162863,0.19990048014739062,6.69023444431199,4.3425352551010965,3.430068880418593,2.813496152738635,1.9995522370737213,1.2097728009396278,0.4699132028137237,0.1767766952966369,0.7433593827013323,0.48250391723345515,0.31182444367441753,0.21642278097989498,0.1538117105441324,0.10081440007830232,0.07831886713562061,0.05892556509887897,5.164862962722324,2.6633295026353996,1.6718488391821225,1.0851702186431134,0.6297770429967043,0.3286551571144544,0.08984797594560875,0.027751965743410593,0.5738736625247027,0.29592550029282216,0.1519862581074657,0.08347463220331641,0.04844438792282341,0.02738792975953787,0.014974662657601459,0.009250655247803531,10.596909423977205,17.212672978878366,16.600000000000005,16.840000000000007,11.154697005988021,128.65014610778445,0.6233476131751298,1.0125101752281391,0.9764705882352944,0.9905882352941181,0.6561586474110601,7.567655653399085,1.9015900000000001,36.7198,37.216192876357034,52.57034770143583,74.43238575271405,8.270265083634897,37.216192876357034,0.04695859336943148,0.005217621485492386,-2.752640151942138,68.11258831648908,7.568065368498787,3.7990458418816075,67,1.0,0.0,2.0,6.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6820833333333334,0.0,13.780462962962964,7.529999999999999,0.0,3.270558005401235,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6820833333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.171597222222222,0.0,0.0,0.0,0.0,2.171597222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5228703703703703,0.0,0.0,0.0,0.0,6.837870370370371,0.0,0.0,0.0,0.0,0.69212962962963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.98550925925926,0.0,4.794953703703704,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6820833333333334,0.0,4.794953703703704,0.1805555555555558,0.0,3.270558005401235,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6820833333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.516875,0.0,0.0,0.0,0.0,0.516875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5228703703703703,0.0,0.0,0.0,0.0,1.582175925925926,0.0,0.0,0.0,0.0,0.1805555555555558,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.98550925925926,0.0,4.794953703703704,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6820833333333334,0.0,8.98550925925926,1.8041203703703703,0.0,3.270558005401235,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6820833333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5702083333333334,0.0,0.0,0.0,0.0,0.5702083333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5228703703703703,0.0,0.0,0.0,0.0,1.8041203703703703,0.0,0.0,0.0,0.0,0.5115740740740742,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.98550925925926,0.0,4.794953703703704,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,22.833333333333336,2.537037037037037,0.6820833333333334,8.98550925925926,0.27208333333333323,0.1805555555555558,2.840829166666667,1.486111111111111,2.985509259259259,8.560925925925925,1.486111111111111,2.985509259259259,8.560925925925925,4.16666,0.46296,0.0,0.03704,0.60196,0.87037,0.43333,0.52319,0.81333,0.16863,0.07877,-0.08986,0.05704,0.53191,0.18238,0.0,0.2,0.24,0.0,12.25,1.36111,5.25,0.58333,7.0,0.77778,1.75,0.19444,1.0,0.11111,3.69436,0.41048,9.99821,6.30385,0.70043,1.60245,0.17805,4.34252,2.74008,0.30445,0.07148,0.00794,0.15748,0.0175,0.35294117647058826,9.02,0,2,2,2,1,1,0.14285714285714285,1.402081402756032,2.74894004700543,3.1018812234760182,3.337175341123077,3.6901165175936654,3.690116517593666,23.835383846852544,46.73198079909231,52.73198079909231,56.73198079909231,62.73198079909231,62.73198079909232,0.343019975278146,0.6725296727503801,0.758876922909754,0.8164417563493366,0.9027890065087105,0.9027890065087106,2.685381438494308,1.33852279424491,0.9855816177743217,0.7502875001272629,0.39734632365667455,0.3973463236566741,0.3244110896742193,0.6360448361594208,0.7177077349216887,0.7721496674298673,0.8538125661921353,0.8538125661921354,12.65083838064052,22.012058883923718,26.247353001570772,26.014498347923716,29.426585365806076,28.133388310747254,32.04400947074687,24.96641734256274,20.42243084403213,20.40185135197323,16.718093396825573,17.946012715208123,7.111111111111111,3.239669421487603,1.7041420118343196,2,8,0,2.01,0.9747000000000005,0.0,1.0162654963092295,0.8164965809277259,0.0,3.965406456500188,4.298279727294167,0.0,1.0,0.0,0.0,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.29500000000000004,0.37599999999999995,0.334,1.1360000000000001,0.782,4.526,11.0,13.0,13.0,12.0,6.0,3.0,1.0,0.0,0.0,77.0,2.5649493574615367,3.068052935133617,3.548179572010801,3.9293716437627593,4.298135385020496,3.7256934272366524,3.168897455061959,2.1510351948668447,0.0,0.0,5.596800274408062,3.487824675324675,0.4,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.1111111111111111,3.0,0.3333333333333333,0,3.0,5.0,0.6666666666666666,1.5,1.1111111111111116,0.5,0.26222222222222225,0.0625,0.0,0.0,0.0,0.0,0.0,0.16666666666666666,0.10101010101010105,0.05,0.052444444444444446,0.0625,0.0,0.0,0.0,0.0,0.0,0.4326212121212122,19.67321585354827,27.79929374030872,39.34643170709654,4.37182574523295,19.67321586555918,0.08501473434522722,0.009446081593914135,-2.218437623048763,74.26283140733536,8.251425711926151,3.876849518687164,29.46,116.04296967978904,4.169925001442312,3.713572066704308,4.48863636973214,5.2832037287379885,6.075346031088684,6.874198495453294,7.669961995473577,8.469472455204826,9.266058860732526,10.065648918115544,79.90609892124289,2.9444389791664403,0.0,4.143134726391533,0.0,5.579729825986222,0.0,7.115582126184454,0.0,8.68929604801586,8.925587339030281,124.052429496,7.297201735058824,17.54892744372926,1.9498808270810288,5.273677360597372,5.273677360597372,0.0,86.0,10.0,0.975,40.0,1.230311984762413,2.1601921042766716,3.0054654147755535,3.802026727468755,4.315968298700653,4.701320978302649,6.0273133026968715,0.0,0.0,0.0,121.55593946745611,172.0794955557173,216.537785644587,162.7980342596343,70.71199969989001,21.22929582398076,6.1241360635913935,0.0,0.0,0.0,331.67528957882246,483.22611934161057,579.3364201679394,552.0655592970553,430.85878302821743,270.2255398711993,187.35146630617578,0.0,0.0,0.0,9.79806556773979,17.157702091370343,24.021687885084507,30.058977181705735,32.431874599101135,32.1777825577578,40.49428744089004,0.0,0.0,0.0,2.188635556346364,3.2575856499946525,3.9851160628798104,4.119699801646096,3.838139153401842,3.082562501329685,2.6798212759470754,0.0,0.0,0.0,177.74859029574202,328.6509707643771,464.3229584920943,613.0076711742415,722.3503527371042,822.1922992207229,1114.556623949227,0.0,0.0,0.0,4.79501623475472,7.740098190568075,12.431069073336229,13.03217183421003,10.84361825186501,6.184723486987388,6.0273133026968715,0.0,0.0,0.0,0.5047539090759163,0.7690897943802815,0.9811869262925546,1.0280695969648586,0.9069882048155473,0.6855314533732114,0.6171968821961596,0.0,0.0,0.0,210.59751438140205,185.51768689697798,14.135483160558014,105.68068977257654,-93.09529209722193,-20.2891500188283,104.91682460882551,278.6129789941999,34.42463317938631,0.6658616104917352,0.586564880097332,0.04469319407693429,0.3341383895082646,-0.29434621442297965,-0.06414969401100626,66.60740364784154,58.675200850576296,4.470745228870095,33.42449877502425,-29.444011799699435,-6.417015931765676,0.2473643845411824,0.4061113528805683,2.161521707669096,12.38674716112278,257.3032778380102,58.974926315968375,0.8135346491114614,0.18646535088853827,783.2101241832165,27.98589152025028,9.217774883602162,868.8037137385824,29.475476480263765,9.54202513509168,1368.141150184883,36.98839210056153,11.101379992875009,1.5412278067518543,1.4814250913646008,449.7570743887336,315.53697982352753,164.48875498020635,1.4253704102773381,2.73427247013241,1.918289063963658,3.8049125083489965,3.7855247285438245,6.49429070599232,0.7155589176379452,3.2036581774065054,1.5007802282506357,5.32086116894656,6.28685607520371,2.6473266714524666,4.990761631118391,4.414393352729028,6.641081126181188,3.544227344633368,1.4675086135978705,0.009307648026131194,1.6835198060843948,7.841326735082952E-12,1.1836884543063383E-44,3.4551865040409282E-99,1.9452958378295927E-175,2.112397967614018E-273,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2947426803782558,1.7089146708399328,0.46983176529789716,2.0026132205607983,0.3624306360324532,2.99580141405717,3.0511130209552526,0.9265839801933117,0.14818338740574055,0.09313878165301528,4.077678603126891E-4,0.011857167647729504,5.5227105343506205E-14,8.336814568303615E-47,2.4335161062270236E-101,1.3700877643502833E-177,1.4877791606727843E-275,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7965671093942372,1.3218904690774218,1.1315844023328698,1.9669661889108014,0.7765500294481547,2.1475378655298987,2.4387245804240423,1.6188802747715787,0.5476080770431683,0.320439793509817,0.001562340944151742,0.12356082881365059,5.755090180013697E-13,8.687603551954186E-46,2.5359114077665635E-100,1.427737084774873E-176,1.5503805937972715E-274,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.312584567421265,1.7081127127153837,5.751511578438179,6.538992418088049,2.537626795199378,5.474763067139247,5.033216194932815,7.116089303686552,3.299260944482235,1.364546307394815,0.008528580990525352,1.4999858379008795,6.986480949300069E-12,1.0546451022015972E-44,3.0785089695035237E-99,1.7332235692899474E-175,1.882108558497581E-273,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0873404984218273,1.1748173621454518,1.469709263822485,2.152298300569592,1.0785905693983127,1.992122563723978,2.2477033330132556,1.9832451795574506,0.8920766075034636,0.4922797035720453,0.0025515050801093024,0.2683906312001176,1.2500824904282536E-12,1.887063581000982E-45,5.508338442958508E-100,3.1012357318228853E-176,3.367633821858053E-274,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.102653053919806,1.6321019038708136,7.198447114472635,8.337245518027583,3.192861485124373,6.227141184904589,5.372527384835184,9.003466761224132,4.834026354077431,1.87015211297796,0.012458124938420708,2.4552554173347607,1.1435838102898557E-11,1.726298365703074E-44,5.0390647922814945E-99,2.8370311575119296E-175,3.0807339092815275E-273,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.7854419436296682,2.1573441921500227,3.70488882646923,5.695188507313166,1.5484528006948706,6.481940300042673,6.633745862328002,5.895684980014054,1.5120757371699423,0.7013669677218302,0.003792300872780013,0.4640201465520113,2.161265681357239E-12,3.262541302181845E-45,9.52335780176281E-100,5.3617216530178154E-176,5.822296898236137E-274,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.84354926949087,1.6777846916107688,0.22561623718103685,0.6687980819181996,0.29194348893298755,0.5609892675674005,0.4711424860734223,0.3132662661034334,5.746950198282676,7.694350718327156,14.896220641658172,0.5031971228772993,1.345398019744256,2.422321583608786,1.213844161315807,0.15325336749904106,0.6392329567524451,0.3203245999726479,0.2248553084941105,0.24715034596403612,0.10999511712056596,3.7894191124236345,3.497575556287138,7.73760874986359,0.4588494351286677,0.5820007715787126,2.9716011800049893,1.28263846219239,0.16239139344777187,0.6728207894257389,0.29041105128335243,0.3350230735157123,0.27446708037122614,0.15505798696526482,4.4166310356451515,4.502341871327874,9.53792607395151,0.5092311841386084,0.7645481408522032,3.708601930942399,1.6729967119365878,0.22760597235063207,0.6611636025673104,0.298259169828502,0.5227447794743015,0.4691489505228297,0.3089633823918683,5.609204615229618,7.4293628282616275,14.450743881967222,0.4917454038509656,1.3008571123889996,3.2782912043566856,1.350787319442282,0.16973355059352868,0.6831464023878658,0.28148368773396576,0.4074753707836717,0.3039072326211738,0.17885095855664113,4.7988120743924965,5.213984122104827,10.764422897476473,0.5247196035817988,0.8902335619614866,3.950754583407493,1.744869492060392,0.23724295913954485,0.6659098476945572,0.29410224127428936,0.5929481298731064,0.5100293561791505,0.3450982200082314,5.93286703460743,8.244797853015932,15.813111359817226,0.49886477154183584,1.448075706060488,3.7411626360301384,1.6820610775508966,0.22323013366141953,0.662568531903825,0.2978968965401817,0.5321987110184893,0.4746924973155426,0.30244505485669554,5.646453847242455,7.503491009312482,14.554701740633138,0.49385279785573766,1.3093362631907273 +UMLCN0443,L,4-propylanisole,CCCC1=CC=C(C=C1)OC,Aromatics,Ethers,C10H14O,NREL (2014),IQT,PubChem,,7.5,0,0.5348999999999989,0.28611800999999887,50.05490000000001,27.73710199999998,6,6,25,11,14,0,10,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1712.8341069999983,1852.2042989999993,2257.7774689999987,2161.9860519999984,1573.3509639999982,1076.047608999998,686.5953830000002,471.6351819999999,259.27692100000013,4886.732216490675,6023.423749082869,7938.851481757964,8131.339008959478,6902.268650747223,5247.815812860466,3302.7064905370444,1994.6690626258153,1429.7433420639047,182.81537200000005,187.57926000000003,320.4096679999999,365.8599999999999,354.557464,318.51454000000007,244.08189200000018,133.768576,111.85296399999999,34.756784667886,43.36840034,59.67512908679202,63.697634270188054,57.332227200188065,46.33380991758407,29.57655847958398,16.773807881094,12.628602937094003,4042.2419750419867,3591.551529620601,6645.647026647542,7838.95174052289,7764.5929869765905,7294.144330272587,5726.576146642985,2984.9925317459943,2557.4658368884443,60.30555555555556,67.91666666666667,101.16666666666666,109.61111111111113,100.33333333333334,81.41666666666666,58.91666666666667,36.5,29.0,68.51336427999993,74.08817195999997,52.50645276744183,43.23972103999997,32.109203346938735,23.91216908888884,20.19398185294118,26.20195455555555,17.285128066666676,195.46928865962698,240.93694996331476,184.62445306413872,162.62678017918955,140.86262552545352,116.61812917467704,97.13842619226601,110.8149479236564,95.31622280426032,7.312614880000002,7.503170400000001,7.451387627906974,7.317199999999998,7.235866612244898,7.0781008888888906,7.178879176470594,7.431587555555556,7.456864266666666,1.3902713867154401,1.7347360136,1.3877936996928377,1.273952685403761,1.1700454530650626,1.029640220390757,0.8698987788112935,0.9318782156163334,0.8419068624729336,161.68967900167948,143.66206118482404,154.5499308522684,156.7790348104578,158.4610813668692,162.0920962282797,168.4287101953819,165.83291843033302,170.4977224592296,2.4122222222222223,2.716666666666667,2.3527131782945734,2.1922222222222225,2.047619047619048,1.8092592592592591,1.732843137254902,2.0277777777777777,1.9333333333333333,0.17696259606423814,-0.04404714057988841,-0.034803163497905576,0.002234037440903059,-0.04208288086804217,0.017551578603897916,0.009206183282127507,0.014205771489320769,-0.02283693082774043,810.1801533599996,23.936614079999234,-3.901115219200527,-40.01345440000038,-298.1012925856004,-116.17955484799978,42.02447231040045,-94.00625033919988,-113.88045537599982,1321.223450765303,-50.69401878241725,94.98868877602868,-74.7966662655148,-487.4847922102401,-348.899154906074,71.58302287775236,-133.44867708224996,-9.99748842109058,1.09418784,0.0453273600000014,-0.18810676479999794,-0.07354623999999942,-0.1444286464000003,0.10641356799999778,-0.040818662400000816,-0.12565876479999927,-0.2575914239999989,5.947582917549837,-0.5177758185599889,0.6353096858634819,-0.38232969115167625,-2.015671955071448,-1.914602341475559,0.26313022145548937,-0.5336888481636477,0.46645899250689216,32.8385203636058,-3.3095031311201084,3.7332205159570826,-2.1941308653037312,-10.70086154325524,-10.96682073325234,1.3043320394014,-2.8398956443479335,3.325954677163332,8.94444444444444,0.31111111111111134,0.30777777777777804,0.9166666666666666,-3.0100000000000007,-1.2388888888888898,-0.948888888888888,-0.33666666666666667,-1.8166666666666664,0.007078503842569525,-0.0017618856231955363,-8.093758953001297E-4,4.468074881806119E-5,-8.58834303429432E-4,3.9003508008662033E-4,2.70770096533162E-4,7.892095271844872E-4,-0.0015224620551826953,32.407206134399985,0.9574645631999694,-0.09072360974884947,-0.8002690880000075,-6.083699848685722,-2.5817678855111064,1.2360138914823662,-5.222569463288882,-7.592030358399987,52.84893803061212,-2.02776075129669,2.209039273861132,-1.495933325310296,-9.94866922878041,-7.753314553468311,2.105383025816246,-7.413815393458331,-0.6664992280727053,0.0437675136,0.001813094400000056,-0.004374575925581347,-0.0014709247999999883,-0.0029475233959183737,0.0023647459555555064,-0.001200548894117671,-0.0069810424888888485,-0.017172761599999926,0.23790331670199347,-0.020711032742399556,0.014774643857290277,-0.007646593823033525,-0.0411361623483969,-0.04254671869945687,0.00773912416045557,-0.029649380453535983,0.031097266167126145,1.313540814544232,-0.13238012524480433,0.08681908176644378,-0.04388261730607462,-0.21838492945418855,-0.24370712740560757,0.03836270704121764,-0.15777198024155187,0.22173031181088879,0.3577777777777776,0.012444444444444454,0.007157622739018094,0.018333333333333333,-0.061428571428571443,-0.027530864197530886,-0.027908496732026118,-0.018703703703703705,-0.1211111111111111,-0.2489065009189802,-0.1143427923896306,0.0063121741277238465,-0.12132991978678813,0.05510134468543794,0.03825244748823522,0.11149383326434714,-0.21508246502979017,0.029544804301523193,-0.0027994887733486873,-0.024694170940904665,-0.18772676124733642,-0.07966647525256985,0.038140094099946106,-0.16115457289436522,-0.23426982032681642,-0.0383689971238804,0.04179912324031133,-0.02830583510389167,-0.1882472874481936,-0.14670710221229602,0.039837754631828697,-0.14028314796342675,-0.012611402478639091,0.04142557460700842,-0.09995029568189469,-0.033607684764619304,-0.06734500439884192,0.05402970744848312,-0.027430136998179193,-0.1595028347438235,-0.39236319789479485,-0.08705651114710168,0.062103564011247246,-0.0321416024334454,-0.17291126041729626,-0.17884037637336714,0.032530543364176316,-0.12462785666277994,0.13071388242173915,-0.10078112821392393,0.06609545802089749,-0.033407882587417635,-0.16625667587646525,-0.18553449173954162,0.029205569112466908,-0.12011197405867823,0.16880351897388438,0.03478260869565222,0.02000577784197605,0.05124223602484475,-0.17169476486246685,-0.07694962042788141,-0.07800511508951403,-0.052277432712215355,-0.3385093167701865,1.2143005066713213,1.359647325108761,0.947604070761093,0.908712797832419,0.49305194933610036,1.0048729829623393,1.543577958369744,2.091161200362705,1.0230213061658562,1.0355156676441322,1.0032887580236949,1.128742620206485,0.9615929980951954,0.8883524955208537,1.1798959133169953,1.2634427369700838,1.1700722879204715,0.9709098277456192,1.0242960411314956,1.1640015377625208,1.0974689848168175,0.8355890500132653,1.0103577363363168,0.8331543596699893,0.8690070618953324,1.3984412359662457,0.9812867231279044,0.8327079734093099,0.3396486901798021,1.092981492851839,1.9922721860992343,2.560519773277684,1.2587396153981487,0.9705135681634,1.036962802199736,1.1514240093670836,1.1167609736219557,0.8232806559093849,0.9910334183433619,0.6842395364048323,1.2812477072812096,0.9772170558600778,1.0401782438973157,1.1422602939418551,1.1106053749961229,0.8235982480626641,1.0007567310822476,0.6659427146635397,0.9301863354037272,1.0920121334681505,0.8951552795031061,1.060210419571556,0.761076604554866,1.0686883449031794,1.422360248447206,1.9229813664596287,51.03192989541826,25.640964947709122,39.01012489179272,51.2364753499637,4.657861395451246,25.64096494774845,0.24999999999998934,0.25301382232107045,0.02300125657464277,-1.511742273873548,81.31442331057245,7.392220300961132,4.838155750244152,51.04098410690534,25.645124843002023,39.015060479121,51.24492867162246,4.658629879238405,25.64512484304118,0.24926557909870795,0.25273925298366556,0.022976295725787778,-1.5129366365598673,81.33306897063524,7.39391536096684,4.838407954884644,59.34354400916325,29.47227476555261,43.918427806638846,59.16218288277324,5.378380262070293,29.472274765553383,-0.39899447805803234,0.023598515545231902,0.002145319595021082,-4.121228616510134,116.06208080402868,10.551098254911699,5.229537750023453,51.0504875873376,25.649491193778275,39.02024180857859,51.25380151478947,4.659436501344497,25.649491193817255,0.24849480021895332,0.2524509975436959,0.022950090685790535,-1.5141919300578965,81.35274427555873,7.395704025050794,4.838674024003882,68.56278899910826,33.74024736738456,50.39006096142665,68.0708370607723,6.188257914615663,33.74024736738457,-1.08229426433914,0.33481880177190315,0.03043807288835483,-1.2035823620964958,173.24223027260305,15.749293661145732,5.670159869168277,51.9846554483701,26.07889481712421,39.533815659853005,52.126310691361454,4.738755517396497,26.078894817149166,0.1731341858783182,0.22379873902731467,0.02034533991157406,-1.646708929242543,83.8598326092343,7.6236211462940275,4.872061420233287,55.49540943821273,27.830244401646038,43.63227629568063,55.70652054932383,5.064229140847621,27.830244401650603,0.3317460317460075,0.49124223009574686,0.044658384554158805,-0.7818997257750123,68.96687943041921,6.269716311856292,4.656989019211787,0,11.996249487616053,15.99794355749026,-0.3774742338425237,0.07565104560171551,4.719827393725129,8.581413709780255,11.0,25.0,22.0,19.0,5.0,3.0,0.0,0.0,0.0,6.0,17.220898,3.8143355144310656,3.2656444311478827,2.9316946149423573,2.619181913839718,2.5264561338719824,2.044796034652396,1.3775752653766862,1.1198192152475792,1.9772943380905974,1.700183044170733,1.417053918773663,1.190579846580676,1.082250302016947,0.7815446192895188,0.591895541580221,0.3105139719294346,3.8080230869155987,3.2682179460608936,2.8665963434908472,2.645815031898684,2.561640630117215,2.098715633973693,1.464265104347096,1.0533366226901486,1.9571587147364014,1.6440242597657244,1.3786981628939172,1.0952256746784053,1.0071675921888006,0.6962046256776279,0.45550793738009504,0.15015625861415716,3.8704400872040945,3.421541278966075,3.113564937979865,2.7718202154797904,2.768861070514619,2.35187454827483,1.8919097185437717,1.5177937868953861,1.8650880926552484,1.4306015598978632,1.0587448352448463,0.8078509932619152,0.7986202314843528,0.3863678646716566,0.03697263957202614,0.39684308271442126,3.8116906223741736,3.2853884659955357,2.863535434489152,2.6659250192640336,2.593718258113151,2.139597536397796,1.537275464579445,1.1348113653661862,1.9459490578502923,1.6088990586928387,1.3535425811507673,1.0336958265909097,0.9602789912487918,0.6408740607436463,0.36186066172283565,0.041902902363462856,3.8911258071191663,3.4826318572085153,3.173712681473297,2.865549377013277,2.8380785876458883,2.45805287471165,2.072828981503581,1.7214642273785616,1.8446639456177234,1.3705122525658182,0.9952524281244144,0.7385642758080633,0.7165012054880644,0.28440673026506663,0.21413479463087012,0.5943111067077896,3.882993828109828,3.3454153595286034,3.1326879808807613,2.7659948155839746,2.6461362259675303,2.1944818761237883,1.6389647273393095,1.4920974889106027,1.9107179875439846,1.5730568251862096,1.1340705711442094,0.9754477505996513,0.8502961220578711,0.5614794077571474,0.2750685699245857,0.09511369217125272,0,0,0,5,1,1,2,0,0,0.0,0.0,0.0,0.08333333333333333,0.11785113019775793,0.0,0.0,0.0,0.027777777777777776,0.030982085323622514,0.4082482904638631,0.0,0.0,0.0,0.18589251194173512,0.0,0.0,0.0,0.9258119817189638,1.1745943256894158,1.1957487232829036,0.3660248986971034,0.42741506078725106,0.36310517421337135,8.104448006685086,5.363703305156273,4.083674771006806,3.240600189437088,2.336655891699415,1.691044061656995,0.9714045207910315,0.554737854124365,0.7367680006077351,0.487609391377843,0.3141288285389851,0.2160400126291392,0.14604099323121345,0.0939468923142775,0.06938603719935939,0.055473785412436506,7.131862929595462,3.994399812521535,2.59807469609131,1.6977292650002156,1.0808782775321553,0.6401456626530091,0.31482694978342385,0.1666121425355495,0.6483511754177692,0.3631272556837759,0.19985189969933154,0.11318195100001437,0.0675548923457597,0.03556364792516717,0.02248763927024456,0.016661214253554952,14.507593730917977,24.5455207574654,23.427450980392162,23.719999999999995,16.070120958083827,189.5803904191617,0.5803037492367191,0.981820830298616,0.9370980392156865,0.9487999999999999,0.6428048383233531,7.583215616766467,2.6477000000000013,46.98900000000003,49.20896023151505,67.11940962462135,98.4179204630301,8.947083678457282,49.20896023151505,0.05672128903510665,0.005156480821373332,-3.1565662378003587,50.64470472017901,4.604064065470819,4.317318146611034,125,0.0,0.0,1.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,3.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.047309382086167,10.55449357520786,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8372222222222223,0.0,0.9637046485260771,0.0,0.0,1.8372222222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.8740669879062737,0.0,2.357463388133031,0.0,0.0,8.236759259259259,0.0,0.0,0.0,0.0,2.317734315948602,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.047309382086167,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.047309382086167,0.9350491307634167,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.43347222222222226,0.0,0.2702409297052154,0.0,0.0,0.43347222222222226,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6893128779289492,0.0,1.1567403628117914,0.0,0.0,2.0049537037037037,0.0,0.0,0.0,0.0,0.9350491307634167,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.047309382086167,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.047309382086167,2.113425925925926,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4851388888888889,0.0,0.38708333333333333,0.0,0.0,0.4851388888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1847541099773244,0.0,1.2007230253212398,0.0,0.0,2.113425925925926,0.0,0.0,0.0,0.0,1.3826851851851854,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.047309382086167,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.833333333333336,1.984848484848485,0.5359722222222223,5.047309382086167,0.16715277777777776,0.9350491307634167,5.73623217356387,0.7316175359032501,1.5473093820861679,3.937645502645503,0.7316175359032501,1.5473093820861679,3.937645502645503,5.33333,0.48485,0.0,0.01515,0.50667,0.7697,0.43333,0.46667,0.7697,0.07333,0.04,-0.03333,0.0,0.62992,0.08437,0.0,0.1875,0.1875,0.0,12.5,1.13636,6.0,0.54545,6.5,0.59091,0.5,0.04545,0.5,0.04545,6.86059,0.62369,13.00046,6.13987,0.55817,2.89687,0.26335,5.36369,2.46682,0.22426,0.05031,0.00457,0.13631,0.01239,0.24,11.01,0,1,1,1,0,0,0.4,1.1829661954675215,2.6750849518197795,3.6234651896016468,3.9434651896016466,4.103465189601646,4.023465189601647,29.574154886688035,66.87712379549448,90.58662974004118,98.58662974004116,102.58662974004116,100.58662974004118,0.25473790469056445,0.5760481898018356,0.7802707580781959,0.8491790073699388,0.8836331320158102,0.8664060696928746,3.4608899943072027,1.968771237954945,1.0203910001730776,0.7003910001730778,0.5403910001730781,0.6203910001730772,0.24607423721508753,0.5564567200032762,0.7537336536098237,0.8202983248663067,0.8535806604945482,0.8369394926804276,9.788484459446376,22.38086904310161,25.095418381472292,27.176670386592292,27.33792239171229,26.377922391712293,39.77047819692683,25.305375003743727,20.229896176673293,17.165760253761647,16.74274326339769,18.01179423448956,9.090909090909092,4.792899408284024,2.8444444444444446,3,7,3,2.45,1.3387,0.12499999999999997,3.3275360194072574,1.0920483450836267,0.0,6.678722918034117,7.003786759473279,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.34,0.338,0.714,0.686,5.2540000000000004,13.0,15.0,16.0,18.0,14.0,10.0,4.0,0.0,0.0,112.0,2.70805020110221,3.1570004211501135,3.6176519448255684,4.040855877271114,4.517021799211387,4.2749284991175145,4.007333185232471,3.132773125814789,0.0,0.0,5.934894195619588,3.3660714285714284,0.5,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.2727272727272727,5.0,0.45454545454545453,0,4.0,8.0,1.0,2.0,0.8888888888888893,0.25,0.3822222222222223,0.20833333333333337,0.08081632653061224,0.03125,0.0,0.0,0.0,0.18181818181818182,0.06837606837606841,0.020833333333333332,0.04777777777777779,0.04166666666666667,0.026938775510204082,0.015625,0.0,0.0,0.0,0.4030358034822321,32.3099821314865,49.25903697354615,64.61996426297299,5.874542205724817,32.30998213148654,0.0625825683671899,0.005689324397017263,-3.048395350265599,109.99817991047216,9.999834537315651,5.1705102013258,9.23,159.14069685682796,4.459431618637298,3.8918202981106265,4.653960350157523,5.442417710521793,6.2285110035911835,7.025538314638521,7.818832443803404,8.617762246337932,9.413526083949446,10.21269870228773,85.30506715339816,3.1354942159291497,0.0,4.31748811353631,0.0,5.720311776607412,0.0,7.217443431696533,0.0,8.758255243232792,9.004053937728395,150.104465068,6.00417860272,21.57831669904422,1.9616651544585653,2.776550714244201,2.776550714244201,0.0,170.0,12.0,2.6920000000000006,48.0,1.2368921496384409,2.1469232604661523,2.965732643340408,3.7484737100310226,4.554867350218688,5.515606559668966,6.739129145870295,7.246191174176703,7.975670314874795,9.063206190612968,101.60446215755013,122.96371917224569,139.2382429635326,134.6566967976718,123.76379279720416,123.05777990044986,186.63665677558515,138.59983028207196,56.60353791036437,9.208797534858977,318.6605784539681,421.7657302187214,507.10941160028256,565.6218817801096,571.4125584657534,568.5933041068756,756.4076654722256,726.698657546627,613.717890114663,281.7183849538385,9.339010465423058,16.05853601493824,21.783444636423592,27.293141207847025,32.404884480251084,39.81761361390032,50.027920307734455,54.55305039252918,55.329768708249965,60.89082451621039,2.2487120277882475,3.1251483245317098,3.9146690872268373,4.598919564354586,4.9303846283597865,4.991257531233177,6.303014515372593,6.272213137231113,6.4712444828746785,4.029618431653872,176.11804948098822,328.1241090139763,461.09122304456343,588.8253700098428,730.704286586339,922.478575064285,1117.4370707489277,1232.255694780859,1335.80596792742,1675.9468085797885,3.48097322995935,5.220292156494777,6.719132039148027,7.978866721418441,8.599660921043927,9.943152131767356,13.769177246624016,14.62894619203905,12.348552965525577,9.063206190612968,0.4862651341716231,0.6860652312708666,0.8598893005408159,1.0043858687874763,1.077375971358383,1.1437565182698006,1.500721812914128,1.4929535856797258,1.4184172929727268,0.9280723139187681,334.4787921180867,239.7592342876112,14.686225832111855,81.32175390311465,-58.2926089970235,-9.856125233253534,253.15703821497203,298.0518432846347,24.542351065365388,0.8044212431145578,0.5766207778750393,0.03532036206456308,0.19557875688544218,-0.1401936807318459,-0.023703973762340798,139.07646439521233,99.69202053041388,6.106540719982782,33.813629676316836,-24.238098649962765,-4.09818225364016,0.1048618097455815,0.4863961609088816,1.124537014575959,9.848779419115782,395.5520732521887,20.248472769012647,0.9513024382416752,0.048697561758324855,867.0562930643168,29.445819619503155,9.535623565142863,1003.524047383766,31.678447679514946,10.011733052775725,1509.0469804209552,38.846453897633374,11.470110106178426,2.3532867898166443,2.288758299436934,1092.5647011639628,1023.7760090779881,131.78607436061213,1.0671911545846104,8.290441205300107,7.768468816186026,4.702657668821955,5.178158621117893,9.837168682533518,0.8997426309837162,4.23136417311974,4.274825723573093,5.983402213176821,12.814457133411649,6.129852815486326,7.659423269189018,5.615793085447989,10.98227642229787,6.448648959507867,5.487788489091518,7.71426685551879,3.3872611216460697,4.926751711353831,2.4263602864622102,0.8373461812528886,2.0784853344283754,1.7325813796630756,0.2506594849583868,0.07270363325632964,8.307614668078305E-20,1.8867451466164558E-59,8.264731278432282E-121,6.982647825057238E-204,1.137856368922509E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.35522299969595394,4.442257744339926,0.5395097161571534,4.657168940715563,1.3166402973211744,3.132847652233241,2.0425286045177677,1.9456530538591563,0.623699587027829,1.524755578322838,1.5953788830049995,0.42804948253081865,1.167765069386154,0.13334052671648614,0.07698301312007308,0.6134303401311642,0.12934972230678798,0.0018488144423239932,5.120576336576393E-4,5.85112093817583E-22,1.3288500337874743E-61,5.8209178162108776E-123,4.917935957006911E-206,8.014015443472E-311,0.0,0.0,0.0,0.0,0.0,0.0,1.1464241487728304,4.130638526739836,1.3579965556796154,5.3329128366732155,2.001397620710388,3.003027335391943,2.233716731629139,3.2532076319688716,1.3253519512826675,1.6884864579725762,2.339966115647168,0.9484147545449011,1.679743947858032,0.39466091819230825,0.15625813603684915,0.8250493336596826,0.42813499555247236,0.018611256684524752,0.005336035341223334,6.097319141374793E-21,1.3847641900826875E-60,6.065845159614369E-122,5.124868442056545E-205,8.35122197593606E-310,0.0,0.0,0.0,0.0,0.0,0.0,3.9940706615699906,4.4417517162706535,6.3758292255417395,12.379675528584785,5.7298687170522395,7.702616189378605,5.650887262144078,10.80209354657615,5.919643574229716,5.472058876604697,8.37234787672654,3.1765474282863444,4.606308868535975,2.227844919824476,0.9675096039069373,1.9579381688445934,1.6243614785058726,0.22339051362926832,0.06477762830844118,7.401935102764326E-20,1.681055957538898E-59,7.3637267746426455E-121,6.2214134997293764E-204,1.0138095392645005E-308,0.0,0.0,0.0,0.0,0.0,0.0,1.689559587981589,4.012229682693667,1.7965305155919291,6.0279661846250585,2.5598614924441487,3.262513046119487,2.5476503061629265,4.167507027631787,1.9517168203678992,2.01590857838469,2.6971558021254336,1.3304758833823194,2.1070083503359034,0.6362054325023963,0.1816180180894555,0.996260579754839,0.6416946020885549,0.04022091026320215,0.011590581797544942,1.324419193926084E-20,3.0078928622284585E-60,1.3175826245115156E-121,1.1131899075034065E-204,1.813997007736285E-309,0.0,0.0,0.0,0.0,0.0,0.0,5.109960199183859,4.380637176690557,7.931872879859967,16.246377066773125,7.730407490106277,9.588510290569756,6.769674679923691,14.094655375730984,8.60307203853651,6.899021964981675,10.259254730098338,4.20116340844663,6.215759327109406,3.2804560511505025,1.1920247014208385,2.560221941411153,2.144706063566905,0.3652912764030295,0.10603141630255021,1.2115875230698923E-19,2.751640477063622E-59,1.2053333837148611E-120,1.0183535612620605E-203,1.659456576542231E-308,0.0,0.0,0.0,0.0,0.0,0.0,2.3519424601956436,4.118242545104154,4.322315002072873,7.7792987806929075,3.058562072245425,6.220041936054716,4.484729011356506,6.697955343133863,2.680028766193267,3.462201921599038,6.390131836616618,1.7130430789595568,2.5341409941862962,0.9236985089138973,0.7177310464685535,1.3632895558105997,0.9688302269133443,0.07489912526245457,0.02163083303494105,2.471687008684454E-20,5.613456634561355E-60,2.4589283142443144E-121,2.0774819975376903E-204,3.38535779183556E-309,0.0,0.0,0.0,0.0,0.0,0.0,8.7380980624656,1.294035924337455,0.4441818964186961,0.8340811941781959,0.12352013234059757,0.5337317794037553,0.3770660045825743,0.3550206375859778,10.476315883221751,15.763505102598634,31.262369048341025,0.7511217912672938,1.2658184215723072,6.823760871676818,0.6738434293100674,0.21855662303768317,0.8843466250724207,0.08732884603430567,0.33001649346982886,0.10336145409235459,0.07892673009298819,7.716160924024568,6.236797503459064,14.957913782705937,0.826519937608631,0.5123046776551716,7.271261052647158,0.9179461388869405,0.28920219775259576,0.8576208954754075,0.10826867360838413,0.37093743954937275,0.1909156375382244,0.1503020493444568,8.478409389286695,9.042962725759473,19.451688625770082,0.7864313432131113,0.7121551264320539,8.724942470758409,1.2586197430311086,0.44140440556476435,0.8369276170688428,0.12073129718175223,0.5325505243335645,0.35698152023516394,0.3514122005973845,10.424966619354281,15.388173194903759,30.66037146647406,0.7553914256032641,1.240944245166113,7.579184320136872,1.0372055598931345,0.32512532784089027,0.847639817630147,0.11599885878180015,0.402042279247562,0.243190417329133,0.19090130554389478,8.941515207870896,10.662578700850515,22.159960070247383,0.7714597264452204,0.8361340021205899,8.971129890940675,1.34335075324617,0.46796142188096834,0.832012807114697,0.12458687419927578,0.5625047745925046,0.4060797308004037,0.393777310793295,10.782442066067814,16.878153124681788,33.300173348550544,0.7480192106720457,1.3623618161862032,8.697622288227528,1.2720725111999636,0.43810129346274174,0.8356833868189483,0.12222304317327477,0.5289874408117681,0.3645396736236936,0.3459628787048084,10.407796092890234,15.43174241271232,30.68669394394156,0.7535250802284224,1.23948999314027 +UMLCN0444,L,2-phenylethanol,C1=CC=C(C=C1)CCO,Aromatics,Alcohols,C8H10O,NREL (2014),IQT,PubChem,,8,0,1.0147,1.0296160899999998,41.464299999999994,21.549929999999986,6,6,19,9,10,0,8,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1420.2416089999988,1471.3677409999993,1730.6476859999989,1474.4621319999985,1045.2085649999988,704.184691,293.0819250000002,32.298336,1.016064,3915.3634352683,4805.507894030594,6291.098846231396,5922.2082309212155,4252.106248378271,2765.943391536916,1289.1098006267898,321.0852247197065,31.083744430930263,140.86048399999999,143.887868,231.2775360000001,284.17948000000007,237.99133200000017,192.02921200000011,118.31209199999998,43.462655999999996,6.718464,27.400533048489986,34.20720677600001,47.328455051698015,47.53464691049004,35.53530662849003,23.232232430489987,11.533500760792004,3.4267639153959997,0.44461290484899996,3048.9826547649905,2730.985383247251,4637.7797017851,6169.777301224892,5292.452104174691,4337.374111396691,2768.6658365657922,1077.9774325060462,184.91765202424898,73.27777777777777,58.416666666666664,84.33333333333333,90.5,76.33333333333334,69.5,41.5,12.0,1.0,74.74955836842099,77.4404074210526,55.827344709677384,37.80672133333329,31.67298681818178,27.08402657692308,18.31762031250001,5.383056,1.016064,206.07175975096314,252.92146810687336,202.9386724590773,151.851493100544,128.85170449631124,106.38243813603523,80.56936253917436,53.51420411995108,31.083744430930263,7.4137096842105255,7.573045684210526,7.460565677419359,7.286653333333335,7.21185854545455,7.385738923076928,7.394505749999999,7.2437759999999995,6.718464,1.4421333183415783,1.8003793040000005,1.5267243565063875,1.2188371002689753,1.076827473590607,0.8935474011726918,0.7208437975495002,0.5711273192326666,0.44461290484899996,160.47277130342056,143.7360728024869,149.6057968317774,158.19941798012542,160.37733649014217,166.82208120756502,173.04161478536201,179.66290541767435,184.91765202424898,3.85672514619883,3.074561403508772,2.7204301075268815,2.3205128205128207,2.3131313131313136,2.673076923076923,2.59375,2.0,1.0,0.2509734853419388,-0.09526567703183075,-0.046341782801308205,-0.0071776744644303815,0.035323394140364936,-0.010352222978817487,-0.010167858273228556,-0.004512596974852356,0.013007675713133372,634.7270885263156,-21.622306315789125,-225.64395738504118,-113.29194350138494,-50.457172914127405,-4.699648088642753,33.5122449252076,35.442867202215936,29.396371814404397,1006.3292143725101,39.90163425231928,-262.5039042583774,-139.00802375081804,-301.62385732783156,-77.56071621629295,78.21300170714794,113.19950297151131,46.21775543608548,1.0406016842105261,-0.10962905263157775,-0.22514169529085765,-0.11876766759002828,0.13942233795013703,-0.061968199445983155,-0.09944226038781137,-0.05935168975069269,0.014577385041551056,4.564428637705786,0.372822583368427,-0.7739529103524931,-0.4491150396945154,-1.9408449670226913,-0.6213858451826639,0.3278257902276468,0.6179494080173271,0.18448666178606318,25.359407364232084,2.3187276243026296,-3.5834578514717457,-2.181012507419587,-11.521263993568386,-3.892835816837093,1.6900936086239065,3.522872697527436,0.9671725567267827,23.780701754385973,-3.454678362573101,-6.265004616805172,-4.006001846722064,4.395506309633737,0.039858417974761196,-1.5550938750384744,-1.421975992613112,0.37703908895044647,0.013209130807470463,-0.005013983001675303,-0.0014948962193970388,-1.840429349853944E-4,0.0010704058830413618,-3.98162422262211E-4,-6.354911420767848E-4,-7.52099495808726E-4,0.013007675713133372,33.40668886980608,-1.1380161218836382,-7.278837335001328,-2.9049216282406394,-1.5290052398220426,-0.18075569571702899,2.094515307825475,5.907144533702656,29.396371814404397,52.96469549329001,2.100086013279962,-8.467867879302498,-3.5643083013030266,-9.140116888722169,-2.983104469857421,4.888312606696746,18.866583828585217,46.21775543608548,0.054768509695290846,-0.005769950138504092,-0.00726263533196315,-0.003045324810000725,0.004224919331822334,-0.0023833922863839676,-0.006215141274238211,-0.009891948291782115,0.014577385041551056,0.24023308619504138,0.01962224122991721,-0.024966222914596554,-0.011515770248577318,-0.05881348384917246,-0.02389945558394861,0.020489111889227925,0.10299156800288785,0.18448666178606318,1.3347056507490571,0.12203829601592787,-0.1155954145636047,-0.05592339762614326,-0.34912921192631474,-0.14972445449373434,0.10563085053899415,0.5871454495879059,0.9671725567267827,1.251615881809788,-0.18182517697753162,-0.20209692312274746,-0.10271799606979652,0.13319716089799202,0.0015330160759523537,-0.09719336718990465,-0.236995998768852,0.37703908895044647,-0.3795846278424035,-0.113171429762176,-0.013933008739780848,0.08103530040265712,-0.030142969137456725,-0.04810998932021938,-0.056937849035712015,0.9847488001085463,-0.03406551682864355,-0.2178856265393051,-0.08695628709453425,-0.04576943395321052,-0.005410763587540133,0.06269748300971419,0.17682520278271882,0.8799546680297812,0.03965067661997637,-0.15987759016523137,-0.06729592737401052,-0.17256998843465665,-0.056322507702047386,0.0922937923303276,0.3562105597487176,0.8726143897483696,-0.10535160022804507,-0.1326060426396377,-0.055603572690650936,0.07714139667717862,-0.04351756693114654,-0.11348019708435861,-0.1806137933425027,0.266163624364686,0.0816800114451605,-0.10392499763470082,-0.047935821126769564,-0.24481841689958866,-0.09948444638697697,0.08528846801973457,0.42871516839803925,0.7679485982055004,0.09143461402702395,-0.08660742126830047,-0.04189942373792918,-0.2615776832370329,-0.1121778831232989,0.07914168227257637,0.4399063188639315,0.7246335970661327,-0.1452723472273454,-0.16146880689187418,-0.08206830670866072,0.10642015879935472,0.001224829516972629,-0.0776543096028526,-0.189352022623878,0.30124185417435145,1.2184276944096106,0.8875669119372395,0.7559795634129914,0.6025416114805758,1.213780358225866,1.6818811483769458,1.952887723870161,0.7825093530727315,0.9927229455581119,1.154236386382974,1.005502459364473,0.9500130728912194,0.9887320827119365,0.9488575221136639,0.8171923719283569,0.0,1.0092116358899896,1.1622113093433912,1.0270604489059585,1.116892075449909,0.9329314596890079,0.7417318177200993,0.4599508826383214,0.0,0.9858551469615352,0.9718296906952054,0.782998777070021,0.5440425908911953,1.3856416905734728,1.7290830654046703,1.6599434982756938,0.0,1.0200816897041078,1.1384867576847606,1.0067169843309847,1.172454928681929,0.9566172713989693,0.7174907552589131,0.3367470385777725,0.0,1.022882639417319,1.1276281458878796,0.9958170258251281,1.1778565887246535,0.9726219269831954,0.7296327259118687,0.32338869621669203,0.0,1.025820730357801,1.001421925012791,0.8191839514229773,0.5348747526910564,1.3246034673552192,1.661667742530431,1.6399852452969377,0.0,34.0536100718929,17.151805035946442,26.60090326629513,34.24805451633733,3.805339390704148,17.151805201703457,0.2499999999999858,0.27778251717914115,0.030864724131015684,-1.1528251053864371,44.11641819614752,4.9018242440163915,3.408148807078993,34.05740874700351,17.153337163051102,26.603321687747115,34.25128197519138,3.805697997243487,17.153337328536722,0.2492655790986973,0.27789515570335976,0.03087723952259553,-1.1524602367651755,44.110421790885944,4.901157976765105,3.4080264686898016,37.4625907963358,18.531798159138887,28.901272754388664,37.32959263698312,4.147732515220348,18.531798198571966,-0.39899447805802524,0.37937583607601366,0.04215287067511263,-0.8723051220114496,41.2342042024808,4.581578244720088,3.347341299918154,34.06139564481565,17.154945222517295,26.60586027751667,34.25466937831927,3.8060743753688078,17.15494538771857,0.24849480021894266,0.27801338150713417,0.03089037572301491,-1.1520774283789792,44.10413616412856,4.900459573792062,3.4078982117620935,41.13648957952773,20.027097657594297,31.6724867509245,40.775724824748025,4.530636091638669,20.027097666261405,-1.0822942643391436,0.4813366391117666,0.05348184879019629,-0.658069542234293,43.190066701804795,4.798896300200533,3.3890494782169545,34.452012527800164,17.31257335683922,26.856259184114986,34.58667245014993,3.8429636055722147,17.31257349651701,0.1731341858782791,0.28962435806193276,0.03218048422910364,-1.11525346140992,43.526496883855806,4.836277431539534,3.396032888778772,37.10310427899832,18.833885546504924,30.42059393280383,37.54184516708393,4.171316129675992,18.833885579169106,0.5666666666666558,0.37444045783873026,0.04160449531541447,-0.8840902317751059,36.213823246519425,4.023758138502158,3.2304968132231795,0,11.996291912426313,15.997943027739842,-0.42119305211990005,0.07352033567607946,4.106615159514507,8.247255632866054,9.0,19.0,16.0,13.0,3.0,3.0,0.0,0.0,0.0,6.0,10.932069999999998,3.7817418463384955,3.169819695066967,2.6191819138397148,2.5881392398913734,1.8931505768719321,1.2193060751058353,0.9414285011440509,0.7490299826841783,1.9766099947783153,1.5582456161914957,1.0822503020169467,1.0050248912603124,0.7048928931327364,0.3884641143186558,0.3105139719294339,0.23240395955671672,3.791803681341693,3.1429508269739097,2.645815031898683,2.5411912465755035,1.819729463790632,1.1845056168432464,1.0533366226901493,0.8757327257361451,1.947301614981819,1.5295002146010672,1.0071675921888008,0.9683878579133177,0.6199259086329455,0.32527958589179623,0.15015625861415757,0.06450140522778694,3.8485611719172845,3.3211542304603237,2.7718202154797913,2.7358483232389363,2.208793927972941,1.7498789419594882,1.5177937868953857,1.389935185060232,1.8574859082155943,1.2953596377458445,0.798620231484352,0.7000972057374627,0.17444900124256646,0.2934405197379843,0.39684308271442115,0.5175688937171453,3.8002210042489626,3.151342641120111,2.6659250192640336,2.544587357986611,1.835725490511694,1.204049207999262,1.1348113653661838,0.9673085685098595,1.9290495382158919,1.5123776281888908,0.9602789912487906,0.9474025373276067,0.5677111867079412,0.2565547660342079,0.04190290236346209,0.04944384724347178,3.8759006696675824,3.371096900079034,2.838078587645888,2.7874124534606897,2.3176948808206332,1.917311234783586,1.7214642273785612,1.609811912271936,1.8324049091228034,1.2430430152695582,0.7385642758080633,0.6455690854277101,0.054357713366590545,0.4576047952911458,0.59431110670779,0.7324426268396402,4.032955870171628,3.8218373738717357,2.920489174406991,2.765994815583975,2.3050835368396396,1.5940602037377765,1.2619148870299184,1.09129682458768,1.8852262827251334,1.416460708743823,0.8502961220578693,0.775375506377703,0.37409663530742593,0.09511369217125286,0.18689695291776087,0.23435342982854987,0,0,0,5,1,1,1,0,0,0.0,0.0,0.0,0.10206207261596577,0.07216878364870323,0.0,0.0,0.0,0.032075014954979206,0.022680460581325723,0.20412414523193154,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.4330127018922194,0.6546479303772353,0.637136847124151,0.21941609682128765,0.25134397468769204,0.18931054617205198,6.527097737495458,4.431851652578137,3.2927109793486995,2.4216682964502656,1.8840630914371583,1.3092958607544707,0.49279927982674443,0.24639963991337221,0.7252330819439398,0.49242796139757083,0.32927109793486997,0.2201516633136605,0.1570052576197632,0.10910798839620589,0.0821332133044574,0.061599909978343054,5.248178503821183,3.0804647591330707,1.959205357403468,1.243303195547291,0.7737766827159378,0.44177815397664455,0.1439496250094005,0.056920214704976865,0.5831309448690204,0.3422738621258967,0.1959205357403468,0.11302756323157191,0.06448139022632815,0.03681484616472038,0.023991604168233416,0.014230053676244216,11.423938123346227,18.769847050254914,17.976470588235298,18.200000000000003,12.4730119760479,143.52388023952096,0.6012599012287488,0.9878866868555217,0.9461300309597526,0.9578947368421055,0.6564743145288369,7.553888433658998,1.2214,37.2318,37.50463195635348,54.266871783488,75.00926391270696,8.33436265696744,37.50463195635348,0.13643752829959244,0.015159725366621381,-1.7926995935286025,35.321891900552245,3.924654655616916,3.208052644982573,81,1.0,0.0,1.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.0,2.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6750410997732426,0.0,8.519688208616781,11.14216364323507,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6750410997732426,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2119727891156464,0.0,1.006388888888889,0.0,0.0,2.2119727891156464,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0048148148148148,0.0,0.0,9.947719198790626,0.0,0.0,0.0,0.0,1.1944444444444446,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.519688208616781,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6750410997732426,0.0,8.519688208616781,1.1944444444444446,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6750410997732426,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.43659722222222225,0.0,0.47041666666666665,0.0,0.0,0.43659722222222225,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24009259259259252,0.0,0.0,1.9730895691609978,0.0,0.0,0.0,0.0,1.1944444444444446,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.519688208616781,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6750410997732426,0.0,8.519688208616781,2.0101388888888887,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6750410997732426,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4483616780045352,0.0,0.5359722222222223,0.0,0.0,0.4483616780045352,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7647222222222222,0.0,0.0,2.0101388888888887,0.0,0.0,0.0,0.0,1.1944444444444446,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.519688208616781,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.666666666666668,2.2962962962962963,0.6750410997732426,8.519688208616781,0.2065972222222222,0.24009259259259252,3.6975776700680267,1.2599074074074075,2.5196882086167802,5.079931972789115,1.2599074074074075,2.5196882086167802,5.079931972789115,4.33333,0.48148,0.0,0.01852,0.52982,0.78519,0.43333,0.47467,0.73667,0.09649,0.05516,-0.04133,0.04852,0.61321,0.10108,0.0,0.07692,0.11538,0.0,10.75,1.19444,4.75,0.52778,6.0,0.66667,1.25,0.13889,0.0,0.0,4.3973,0.48859,9.45555,5.05824,0.56203,2.11141,0.2346,4.43185,2.32044,0.25783,-0.01785,-0.00198,0.06815,0.00757,0.3157894736842105,9.01,1,1,1,1,1,1,0.25,1.2363864108712896,2.604807463502869,3.0708470936225187,3.5766176449086675,3.826874881864639,3.8268748818646396,23.4913418065545,49.491341806554516,58.346094778827855,67.95573525326468,72.71062275542815,72.71062275542815,0.29105638148448826,0.6131948945125196,0.7229047774247763,0.8419676733158943,0.9008804575298368,0.9008804575298369,3.011541102572296,1.6431200499407161,1.1770804198210665,0.6713098685349177,0.421052631578946,0.42105263157894557,0.2772520169844205,0.5841119869663659,0.6886184958613405,0.8020344184583779,0.8581530583115089,0.858153058311509,10.37256490086565,18.919957040519122,22.198290503428606,25.458890061091505,25.71110556893489,25.711105568934887,31.88355405923726,25.668988490811223,21.60935891810991,17.476253352812225,16.885574269961115,16.885574269961115,7.111111111111111,3.92,2.3801652892561984,3,6,2,2.23,1.0569000000000008,0.0,0.0,0.0,0.0,9.563073857754226,4.445544946128441,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.433,0.435,0.875,0.829,4.769,10.0,11.0,12.0,12.0,6.0,4.0,2.0,0.0,0.0,75.0,2.5649493574615367,2.970414465569701,3.392829131991639,3.8204558119026557,4.218588164881428,3.498399709618518,3.2700441114426,2.7842393394597567,0.0,0.0,5.5348706047721645,3.365,0.5,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.2222222222222222,3.0,0.3333333333333333,0,3.0,6.0,1.0,1.0,0.44444444444444464,0.1875,0.15111111111111114,0.09027777777777779,0.04,0.0,0.0,0.0,0.0,0.1111111111111111,0.04444444444444447,0.0234375,0.030222222222222227,0.030092592592592598,0.04,0.0,0.0,0.0,0.0,0.27930787037037036,21.58430380034042,32.831436262020326,43.16860760068085,4.796511955631205,21.58430380215593,0.13214913499207814,0.014683237221342016,-1.821441765244804,74.38584677350919,8.265094085945465,3.8783391229834896,20.23,124.54872760509458,4.169925001442312,3.6635616461296463,4.394449154672439,5.153291594497779,5.905361848054571,6.673297967767654,7.430707082545968,8.200562797008564,8.95944014361693,9.729669736233394,78.11034197052693,2.9444389791664403,0.0,4.07753744390572,0.0,5.43372200355424,0.0,6.88653164253051,0.0,8.379997952238393,8.639410824140487,122.07316494,6.424903417894737,17.70058553174531,1.966731725749479,2.433334303835384,2.433334303835384,0.0,94.0,8.0,1.1729999999999998,38.0,1.2320686179453169,2.1824775582967706,2.9658231689399437,3.7719601504319504,4.638968159444934,5.4723501289339875,6.438051026014011,7.470416155860086,0.0,0.0,105.66765732888173,130.7635556282181,120.50287143579443,135.2393635251915,142.75403295711584,111.25707326911795,36.74527280110294,7.590420920987822,0.0,0.0,334.1405513275287,464.1522957501143,471.3353713769598,520.0012404363597,521.152984844274,460.07956289316587,351.0577880216319,232.2085065814474,0.0,0.0,9.348523659977708,16.312419861940775,21.670332591769444,27.396846495393365,34.494526274148605,40.969251517937494,47.03418486585277,50.18972200816438,0.0,0.0,2.339421848455168,3.451350394296647,3.739471598149787,4.238499445492938,4.26053239887004,3.997022272137162,3.6827690946534637,3.321443427487852,0.0,0.0,174.87065067106525,323.954655458179,465.0885976044016,599.734378979234,769.7187258945264,945.5546759409664,1157.0682448641217,1381.411815185663,0.0,0.0,3.8767818960480493,6.048588437867706,7.073124855927938,9.311807518313072,13.20952733911732,15.331538660002334,13.596698452531092,7.470416155860086,0.0,0.0,0.5002096028573988,0.7443320474084757,0.8187208490966713,0.9568850841156574,1.036036716963928,1.0254469593853361,0.9302459972861276,0.7649706143600729,0.0,0.0,235.95383228730088,176.56122581816498,16.425644953795594,138.17136006400602,-103.3918562346526,-20.327672975679775,97.78247222329486,279.9530820528176,36.75331792947537,0.6306814860672042,0.47193086546380547,0.043904140350890256,0.3693185139327957,-0.2763563062536743,-0.05433387911657097,88.27627289051446,66.05600257100353,6.145247577833051,51.69338666138794,-38.681498101348076,-7.6050945620806605,0.2802908429152013,0.5283697877979907,5.9339814314141845,20.14843067145324,314.8211923861059,59.30399996520103,0.8414862159041296,0.15851378409587033,700.4009844538349,26.465089919624965,8.880735101900264,806.6768027219069,28.402056311505106,9.30893196187962,1150.8711841232766,33.92449239300828,10.479540459605467,1.9638861761705135,1.9638861761705135,626.6568592821751,555.1097786572795,109.68851594344221,1.1288881647841915,5.713058052543012,5.060783017098219,4.16298426034217,3.7854402139162864,7.470416155860086,0.9734603464074922,3.632853685128228,3.2040777612221407,5.381754969990159,10.614091578100442,2.0255644340406147,4.798726911377658,2.8853857579283315,9.54358994360109,2.454773116908441,1.6006260215675872,1.3169495314503388,1.318605641160508,5.0015873837429975E-5,0.9500411002537645,6.604170997732613E-13,9.181679677752096E-47,2.4620783722387437E-102,1.2733785025895318E-179,1.2702495776247274E-278,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.32489489503161595,3.331073662403095,0.49145785924344004,3.7343482182842695,0.4802358021849076,0.883842796592353,0.2820337048957989,2.233389138970958,0.41970481407228977,0.31994897848259995,0.09916115192408423,0.05909216989829126,5.231637935202385E-6,0.010235878576145618,4.651372134800995E-15,6.4667320713067E-49,1.7340619288217804E-104,8.968508911894526E-182,8.946471637529966E-281,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9290846519517344,3.0948411533132143,1.3187588735445999,4.212873402708217,0.7128762727749421,1.450329350316997,0.7862854314275017,3.0126478071769967,0.6910615516900197,0.3317608044236223,0.2876895462617833,0.17424537396073342,9.272752989728792E-6,0.07379716848001344,4.8470879217375034E-14,6.73883340596488E-48,1.807026226709759E-103,9.34587776186581E-181,9.322913222895155E-280,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.6520823113381953,3.330626329711472,5.581088177291275,10.08530740799071,1.9016712275977157,4.49824836138657,2.797908829476599,9.299143738489322,2.2792297030470574,1.5396553860202895,1.2284468915597118,1.3023767942528486,6.1568749936407E-5,0.8588233116396311,5.884197477999091E-13,8.180711290117161E-47,2.193667503532199E-102,1.13455732048333E-179,1.1317695046714227E-278,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3023423222474164,3.0050733129052407,1.7956487899402092,4.7821439824151755,0.8971598034882056,1.9093825798334543,1.1198402194067354,3.733113314814209,0.9201091147215107,0.41942883018877763,0.4353126122055129,0.26743305303496284,9.479519760783877E-6,0.152551709549661,1.0528522556353297E-13,1.463764664533827E-47,3.925102431234413E-103,2.0300495356900626E-180,2.0250613309582465E-279,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.567802296727113,3.284256874362119,6.9267221481882855,13.704133168905672,2.517543538617242,6.056332851219439,3.5429038397272494,12.082340217037881,3.162590486851506,2.180737342646542,1.6862863408404616,1.8748179069315973,7.304140753427123E-5,1.3856168194166394,9.631562729915925E-13,1.3390616901303754E-46,3.5907099159122624E-102,1.8571028719123034E-179,1.852539628912426E-278,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.8459286181119943,3.3541975651720324,4.936838479828834,6.375405599980695,1.0009119039256569,2.6314014917320723,2.0000437837131817,7.34264712309671,1.1310004268081175,1.2220266610390957,0.5902987246833797,0.9293804170436295,8.417836740614916E-5,0.3329986970495187,1.96487739292085E-13,2.731739408256841E-47,7.325191851288823E-103,3.788564139935796E-180,3.779254941693403E-279,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.733369106485982,1.454260400074526,0.3967520614190503,0.7188783118986881,0.22086514656846826,0.543273469129929,0.4180064110623012,0.2500773851606072,6.584381567979559,9.33850601252393,18.653950729022533,0.5783174678480323,1.2113572653528375,4.39039473660718,0.7423976511339517,0.15674367856593274,0.8300150866864913,0.14035212953038112,0.47222175054272136,0.10886417482587457,0.04040251816385557,5.289536066307065,4.063951500177798,9.86438084978046,0.7450226300297369,0.6214884435324515,4.115900839343112,1.0195331727211092,0.24409169871686598,0.7651047807234104,0.1895210149619448,0.41203111387838454,0.2054595528116673,0.09709050076499026,5.379525710781087,5.449814252994086,11.853621334553326,0.6476571710851156,0.7145811674550421,4.847851985048511,1.4069791448417168,0.3853633252870036,0.7300768099146154,0.21188824428849706,0.5702600758604525,0.3913215215705554,0.23801552102918042,6.640194455177231,9.231209163565937,18.499900054033304,0.5951152148719231,1.1995971184601881,4.091792956183072,1.159051503303094,0.2879177381496567,0.7387558465553228,0.20926182817486297,0.4063574194023537,0.2655325246621887,0.13331891472146357,5.538762197635823,6.254410037219914,13.158650547700772,0.6081337698329842,0.805208858786006,4.874053860288149,1.512048738654016,0.4184095305472714,0.7162973285277785,0.2222126597586754,0.57599623372514,0.4518867715021622,0.2776470163869269,6.804512129489437,10.041813182030536,19.92992279509114,0.5744459927916679,1.3055300216142292,4.83122341114604,1.4132963668815541,0.3849481207140071,0.72874980087966,0.2131839822544166,0.566294515472222,0.39481733672699626,0.23728328922840136,6.629467898741602,9.231766647878977,18.489641257831963,0.5931247013194901,1.1983951414276195 +UMLCN0445,L,4-methylguaiacol,CC1=CC(=C(C=C1)O)OC,Aromatics,Ethers,C8H10O2,NREL (2014),IQT,PubChem,,19.8,0,0.7881000000000004,0.6211016100000005,43.4868,22.351929999999985,6,6,20,10,10,0,8,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1676.2096099999987,1711.4315979999997,2242.581284999999,2297.777523999999,1504.1194709999984,748.0108069999998,187.65532800000003,15.240960000000001,0.0,4131.754212232656,4987.449996432904,6602.479646214419,6767.033814234666,5238.188902540437,3380.451816277346,1694.646138537687,466.25616646395395,0.0,154.2122,156.41512000000006,247.90078800000012,267.1666720000001,289.624476,237.29085200000017,147.01824000000002,100.77695999999997,0.0,28.043737048489987,34.096986776,45.86488448709401,48.19435476684902,40.57737707279203,28.02456376564098,16.520968797094,6.6691935727350025,0.0,3234.4339405674905,2910.8776839872507,4950.806737832945,5150.99970405415,6123.163111453693,5204.951418241091,3349.406767075844,2773.764780363735,0.0,86.58333333333334,70.27777777777777,100.11111111111113,128.44444444444446,109.33333333333331,82.66666666666667,46.0,15.0,0.0,83.81048049999994,85.57157989999999,70.08066515624996,67.58169188235291,39.58209134210522,24.129380870967733,9.382766400000001,1.016064,0.0,206.5877106116328,249.37249982164522,206.32748894420058,199.0304063010196,137.84707638264308,109.0468327831402,84.73230692688435,31.083744430930263,0.0,7.71061,7.820756000000003,7.746899625000004,7.85784329411765,7.621696736842106,7.654543612903232,7.350912000000001,6.718463999999998,0.0,1.4021868524244994,1.7048493388000001,1.4332776402216878,1.4174810225543828,1.0678257124418955,0.9040181859884188,0.8260484398547,0.4446129048490002,0.0,161.72169702837454,145.54388419936254,154.71271055727954,151.4999912957103,161.13587135404455,167.90165865293844,167.47033835379222,184.917652024249,0.0,4.3291666666666675,3.5138888888888884,3.1284722222222228,3.777777777777778,2.87719298245614,2.666666666666667,2.3,1.0,0.0,0.3502093407242872,-0.15668783731228264,-0.0836836543327623,0.16134770668192755,-0.0831263589967017,-0.051960219208720126,-0.0025110142630627753,0.04151670706945839,0.0,721.7174322000001,-3.180828800000512,166.7794459799996,-194.05181264000055,-244.42376207999985,-324.9704599099996,-283.2143999999996,522.2031013500008,0.0,1011.5158535508793,-6.88973491240877,342.21350661094857,-510.9105151505523,-473.52971158734965,-199.49823062574598,-374.4417217990391,717.2984806887066,0.0,1.8822792000000002,-0.1648927999999989,-0.30568871999999897,0.5236273600000019,-0.3797236799999999,-0.7810871599999991,-0.2557272000000011,0.4223525999999963,0.0,4.646717272245001,-0.150684799999994,1.3974920424735033,-2.389704918097995,-2.416365017298003,-0.040539436085754776,-1.3044856612980031,2.5809291541837425,0.0,26.315223238244972,-1.11179701249995,7.190506040573523,-12.893454435572938,-13.819874768972994,0.9396160943892129,-6.528242890723016,13.065635353683673,0.0,27.07083333333335,-4.759722222222222,0.6936111111111116,4.790694444444444,-4.717916666666669,-9.088958333333338,-8.337500000000002,7.8843749999999995,0.0,0.01751046703621436,-0.007834391865614132,-0.002615114197898822,0.004745520784762575,-0.0021875357630710976,-0.0016761361035071008,-1.2555071315313877E-4,0.002767780471297226,0.0,36.085871610000005,-0.1590414400000256,5.211857686874987,-5.707406254117664,-6.432204265263154,-10.48291806161289,-14.16071999999998,34.81354009000005,0.0,50.575792677543966,-0.34448674562043846,10.694172081592143,-15.026779857369187,-12.461308199667096,-6.435426794378903,-18.722086089951954,47.81989871258044,0.0,0.09411396000000001,-0.008244639999999945,-0.009552772499999968,0.015400804705882409,-0.00999272842105263,-0.02519635999999997,-0.012786360000000056,0.028156839999999753,0.0,0.23233586361225006,-0.007534239999999701,0.04367162632729698,-0.07028543876758808,-0.06358855308678955,-0.001307723744701767,-0.06522428306490016,0.1720619436122495,0.0,1.3157611619122487,-0.05558985062499751,0.2247033137679226,-0.3792192481050864,-0.36368091497297356,0.030310196593200417,-0.3264121445361508,0.8710423569122449,0.0,1.3535416666666675,-0.2379861111111111,0.021675347222222238,0.14090277777777777,-0.12415570175438603,-0.2931922043010754,-0.4168750000000001,0.525625,0.0,-0.4474119307846784,-0.14934577087466372,0.27101052044746166,-0.12492732252925834,-0.09572195304903014,-0.007170037948929657,0.158064343205297,0.0,-0.0044073049341546875,0.14442931414273208,-0.1581617957243977,-0.17824716373154423,-0.2904992340189975,-0.392417291538437,0.9647415605267695,0.0,-0.006811297013509651,0.21144843245018355,-0.2971140749721001,-0.2463887868078835,-0.127243221582492,-0.37017879698531553,0.9455096238919224,0.0,-0.08760273183701912,-0.10150218416056414,0.1636399605954569,-0.1061768989537007,-0.267721813002024,-0.13586039733106603,0.2991781453038396,0.0,-0.032428226460008536,0.18796765014367917,-0.3025165279041416,-0.27369236973639915,-0.005628591834122747,-0.28073273773072877,0.7405741883199191,0.0,-0.04224919554868647,0.17077819308889786,-0.28821283001996484,-0.2764034427376025,0.023036245080489674,-0.24807856774079187,0.6620064356104902,0.0,-0.1758247396234158,0.016013801241598687,0.10409932789492579,-0.09172654585517201,-0.21661114062569817,-0.30798830229336605,0.3883330768046788,0.0,1.3271023181085504,1.0798236792317775,0.788808101013468,1.1133005816767398,1.2532042070723035,0.8913219329896334,0.20686195234693347,0.0,0.8964275397614541,0.8014925063484908,1.0891766208128104,1.1302176327701017,1.2915949708753351,1.3201984875792225,0.0,0.0,1.0391794637544798,0.7746542211923626,1.2657196200391567,1.1737345928636862,1.0058691497928738,1.2804575196512167,0.0,0.0,0.9626483679998161,1.0912004645750744,0.8912756344729803,1.0970524457795632,1.4659245505781395,0.9196796096987094,0.0,0.0,1.1588345374478026,0.8390427742939603,1.333243770617299,1.1948694014687202,0.8546135822598636,1.1372796983390936,0.0,0.0,1.1891515333248686,0.8676169677823922,1.3389995794765075,1.1980595597327854,0.8287414074613357,1.085499688055882,0.0,0.0,1.03427222820789,0.7155706479913799,0.9289355268042256,1.0815248063208651,1.404982613977335,1.5090041557641978,0.0,0.0,33.992571831785895,17.24628591589294,23.821057422269302,34.39257183178589,3.4392571831785883,17.24628607891055,0.49999999999998934,0.025879124247796315,0.0025879124247796315,-3.6543186488788533,49.82360509785111,4.982360509785111,3.908488869677883,34.00489665481956,17.251713906508478,23.828174215100393,34.403721581377475,3.4403721581377478,17.25171406859779,0.498531158197391,0.026417347438521976,0.0026417347438521975,-3.633734384681493,49.839387514818874,4.983938751481888,3.9088055853751733,45.19670418867493,22.19935761627943,31.156204361881287,44.877508606228496,4.48775086062285,22.199357617267047,-0.7979889561160718,0.39280284172668123,0.03928028417266812,-0.9344474679896012,171.69723508942477,17.169723508942475,5.1457326646254025,34.01783277693742,17.257411188687648,23.83564674916109,34.41542445728772,3.4415424457287713,17.257411349808358,0.4969896004378782,0.026982219946333097,0.0026982219946333095,-3.612577150403854,49.8561457546882,4.98561457546882,3.9091417737574923,57.392048817080635,27.613730144201167,40.00477617677499,56.52621340560932,5.652621340560931,27.613730144205324,-2.1645885286782978,0.5596958665080152,0.05596958665080152,-0.5803617383041338,51.034699437704724,5.103469943770472,3.932505782501482,35.28809950006284,17.817183935909718,24.58318800391153,35.56511419746812,3.5565114197468124,17.8171840254938,0.3462683717565973,0.0819533534088096,0.00819533534088096,-2.501605054448791,52.571801928410835,5.2571801928410835,3.9621798909875183,31.836843702760866,16.43527571436597,22.950062955668535,32.6526942858748,3.2652694285874793,16.435276135124074,1.0892857142857277,0.10982870086822821,0.010982870086822822,-2.2088333918211913,48.019055436198975,4.801905543619897,3.871597920383048,0,11.996291895232918,15.998259707158716,-0.3750021620333557,0.10559854020162805,4.7889457297704565,7.892276960720169,10.0,20.0,17.0,14.0,4.0,3.0,0.0,0.0,0.0,6.0,12.848069999999998,3.8277086950872747,3.062102436328076,2.881524213431439,2.475506107131581,2.2382007761035068,1.677299867243373,1.1630313132257462,0.5852714801587688,1.9422071623022823,1.448211227382823,1.3507726341741326,0.9954558597688058,0.7978754532977794,0.4147652306484527,0.1190910652297171,0.08392307051869104,3.8028655741206427,2.9909777636360766,2.8217929345541215,2.50286948779243,2.196041562632702,1.4890898809460107,1.0821168635513798,0.5324459161928807,1.9406879837929234,1.4230876370382801,1.2916109682490953,0.9278483741849789,0.8230421586181792,0.3591120331895823,0.04915711738212568,0.2709139018929369,3.8718856222083065,3.195799470542997,3.0382434372864595,2.6748620849327285,2.5152193724758733,1.9661554184496348,1.5505747763079976,1.0563197063301453,1.8481557176566104,1.1352296839427956,1.0062625293753162,0.7026335183882536,0.4510978176962408,0.16533726628813358,0.47695105928522163,0.9439184268026216,3.800621367842126,2.9852201568778924,2.822089632935199,2.530798880481409,2.2123202906627792,1.445202669385628,1.1107753398723266,0.5526819906341615,1.9405562063164243,1.407372770102965,1.2604353137793443,0.8841031931473369,0.8205709743539491,0.3204832668374535,0.0033628824587840335,0.39927724550898136,3.884083744627189,3.240660312320072,3.097316928411332,2.749956178038584,2.5905859051677425,2.0541990704965287,1.6891446588655517,1.207644822962088,1.8342628568067467,1.0870589110599835,0.9410551546398792,0.6310119147485204,0.3724552519388372,0.2668629016217128,0.6280815036909027,1.1592104003128527,4.11260580489258,3.57975979515573,3.2450898356156896,2.7703050145215062,2.572544389127609,2.0516797055190157,1.5300134625809723,0.9068749342298862,1.8748157622903676,1.2101141307378225,1.0990833927150345,0.8075632859802722,0.5133929098606111,0.13225415299330673,0.25247241048149377,0.5333333333333324,0,0,0,5,1,1,0,0,0,0.0,0.0,0.0,0.06804138174397717,0.18419528592042317,0.0,0.0,0.0,0.024056261216234408,0.04463547580551261,0.6910440616569955,0.0,0.11785113019775793,0.0,0.2901419542023359,0.0,0.015214515486254614,0.0,1.4182003202946272,1.837206480530794,2.347559179261276,0.429207643638044,0.45840087812309777,0.4849694623313104,7.560477932315068,4.736382105218448,4.063836075150101,3.1490413540863877,2.21913190628836,1.6712676275505474,0.5878066686621339,0.2123789490413836,0.7560477932315068,0.4736382105218448,0.3126027750115462,0.20993609027242585,0.1386957441430225,0.09830986044414984,0.06531185207357043,0.0530947372603459,6.087512693532699,3.074013105158359,2.175303162876071,1.3352245969680763,0.7848439686222124,0.5009831827440365,0.14293349751597348,0.041044252774743356,0.60875126935327,0.30740131051583586,0.1673310125289285,0.08901497313120509,0.049052748038888275,0.029469598984943324,0.015881499723997054,0.010261063193685839,12.13873722776308,20.10050983248361,19.325490196078437,19.6,12.953251497005985,151.6784011976048,0.6069368613881541,1.0050254916241805,0.9662745098039218,0.9800000000000001,0.6476625748502992,7.58392005988024,1.4288200000000006,38.29880000000001,42.60022158473791,58.59403027368143,85.20044316947582,8.520044316947581,42.60022158473791,0.00557259668033161,5.57259668033161E-4,-5.18989414331117,64.21742663798052,6.421742663798052,4.162274616821139,80,1.0,0.0,2.0,6.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6543055555555555,0.0,13.985740740740741,7.031666666666667,0.0,3.1902545460390943,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6543055555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5835416666666666,0.0,0.0,0.0,0.0,1.5835416666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.4825925925925927,0.0,0.0,0.0,0.0,5.237453703703704,0.0,0.0,0.0,0.0,1.7942129629629637,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.109953703703704,0.0,4.875787037037037,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6543055555555555,0.0,4.875787037037037,0.18805555555555586,0.0,3.1902545460390943,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6543055555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4921527777777778,0.0,0.0,0.0,0.0,0.4921527777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5362037037037037,0.0,0.0,0.0,0.0,1.619212962962963,0.0,0.0,0.0,0.0,0.18805555555555586,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.109953703703704,0.0,4.875787037037037,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6543055555555555,0.0,9.109953703703704,1.8312037037037037,0.0,3.1902545460390943,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6543055555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5545833333333334,0.0,0.0,0.0,0.0,0.5545833333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.946388888888889,0.0,0.0,0.0,0.0,1.8312037037037037,0.0,0.0,0.0,0.0,1.0783796296296297,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.109953703703704,0.0,4.875787037037037,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.5,2.45,0.6543055555555555,9.109953703703704,0.2320833333333333,0.18805555555555586,3.42932125,1.4786111111111109,3.109953703703704,8.971481481481481,1.4786111111111109,3.109953703703704,8.971481481481481,4.66666,0.46667,0.0,0.03333,0.57667,0.85333,0.43333,0.51282,0.80303,0.14333,0.06385,-0.07949,0.0503,0.54687,0.16742,0.0,0.28571,0.32143,0.0,12.75,1.275,5.75,0.575,7.0,0.7,1.25,0.125,1.0,0.1,5.14397,0.5144,12.04465,6.90068,0.69007,1.95569,0.19557,4.73636,2.78067,0.27807,0.17764,0.01776,0.26364,0.02636,0.3,10.02,0,2,2,2,1,1,0.25,1.3609640474436813,2.970950594454669,3.6086949695628423,3.746439344671016,3.7464393446710154,3.8464393446710154,27.219280948873624,59.419011889093376,72.17389939125684,74.92878689342032,74.92878689342031,76.92878689342031,0.3148974294721927,0.6874132399308456,0.834973393896062,0.8668444412813987,0.8668444412813986,0.8899822625973746,2.9609640474436816,1.3509775004326938,0.7132331253245203,0.5754887502163468,0.5754887502163473,0.4754887502163472,0.3008611489495267,0.6567723893947313,0.7977551771410644,0.8282056001586457,0.8282056001586456,0.850312073104396,12.162562996609601,24.761921394623652,29.117201405521733,27.75731467597295,27.75731467597295,29.356806137972946,35.69610437365714,23.297667571040442,17.741169860508307,19.01536703327651,19.015367033276508,17.157824557366617,8.1,3.408284023668639,1.991111111111111,1,8,0,2.1199999999999997,1.1156000000000006,0.19999999999999996,2.0041451295984074,2.3348151486780315,0.0,1.6509636244473134,5.853800636117529,0.0,1.6509636244473134,0.0,0.0,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.29500000000000004,0.37199999999999994,0.322,1.112,0.79,5.002,13.0,15.0,16.0,17.0,9.0,4.0,1.0,0.0,0.0,95.0,2.6390573296152584,3.1986731175506815,3.6699514442284173,4.09225905573108,4.529233619898151,4.123093975508087,3.3618933317031257,2.1510351948668447,0.0,0.0,5.806639860095909,3.4894736842105263,0.4,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.1,4.0,0.4,0,3.0,5.0,0.6666666666666666,2.5,1.333333333333334,0.6875,0.5333333333333334,0.0625,0.0,0.0,0.0,0.0,0.0,0.25,0.10256410256410262,0.057291666666666664,0.07619047619047621,0.020833333333333332,0.0,0.0,0.0,0.0,0.0,0.5068795787545789,23.748806409436337,33.19882277113605,47.49761281887268,4.7497612818872685,23.74880640965301,0.04447166906057015,0.004447166906057015,-3.112902942882084,47.56259180643573,4.756259180643573,3.862046565847337,29.46,133.33895430565573,4.321928094887363,3.8501476017100584,4.634728988229636,5.459585514144159,6.267200548541362,7.0909098220799835,7.905072849498666,8.726967774991493,9.543449817892206,10.364292755677457,83.84235567276502,3.044522437723423,0.0,4.290459441148391,0.0,5.752572638825633,0.0,7.311218384419629,0.0,8.91341571815747,9.142382678792956,138.06807956,6.903403978,19.397643379044425,1.9397643379044425,5.275876816469594,5.275876816469594,0.0,115.0,12.0,1.367,46.0,1.2325151870480513,2.1474037146334455,3.0334883542815483,3.7637046284289473,4.532696614959796,5.189525643576241,6.313198295872043,0.0,0.0,0.0,115.47550115138768,163.1959929887102,215.38599967682737,158.92574377571424,120.62945454278356,53.76990980084112,6.414613513296933,0.0,0.0,0.0,326.4632636097974,471.074611366342,619.9725621245228,542.8432202103661,514.1209961528897,470.5632265430052,196.23784237067102,0.0,0.0,0.0,9.689226375978821,16.731646399287605,23.910323659786503,28.836916301023045,34.70702671477791,38.59173860652639,42.41499547567768,0.0,0.0,0.0,2.1936949961834094,3.227546809066268,4.361470723247787,4.1505655551155805,4.193599493182605,4.495929926104599,2.8069294332154255,0.0,0.0,0.0,177.71127239379072,328.4803832302034,457.62645863333984,602.4839613910245,758.9716313659347,859.6897413892199,1167.4218056361485,0.0,0.0,0.0,4.45804033231978,7.025582560185619,11.695133688189486,11.11516478062249,12.074942187336458,12.82395149678129,6.313198295872043,0.0,0.0,0.0,0.4979999477145289,0.7453820147556183,1.031676405812563,1.0026459883301992,1.0217291239516788,1.0567977193364908,0.6464715054972974,0.0,0.0,0.0,268.3676399147187,242.39477114954087,17.53947902091374,103.49832189465197,-93.48165843686638,-19.66609438739425,164.86931802006677,335.87642958640726,37.205573408307984,0.7216784203881822,0.6518337144118598,0.047166131945964404,0.2783215796118178,-0.2513853593429662,-0.05288490049400021,99.79679053539775,90.13836471108631,6.522335235747366,38.4875030170106,-34.762646826160385,-7.3131511044022295,0.24125490544256745,0.3960808721089742,5.619916454497328,12.080808830807797,298.8188684315002,73.04709337787043,0.8035660671322306,0.19643393286776942,847.4668942363488,29.111284654517547,9.463263084726222,952.2222436616843,30.858098510142913,9.83813491811378,1525.8896889642738,39.06263801849887,11.512625551341758,1.6577542635827078,1.5941058406220345,633.3526174068508,472.4099273570114,195.02636367734857,1.3406843944839693,3.2475230808008537,2.422287522822124,4.2016148667591775,4.177010212186916,7.330050614572549,0.7548558040835689,3.679800955249452,2.4999417684682523,5.823484347655055,7.318995867074464,2.4735234412659937,8.132744859630401,5.98265922278415,8.179637942821511,2.638685636661053,6.031463657230295,5.2218705013812325,5.400651741733348,0.8762576238025991,0.05567193302032294,3.217111658095275E-20,3.585683579055664E-60,7.70821278820755E-122,3.1960335715299395E-205,2.5559059848836E-310,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3347020443172929,2.7080155691303642,0.48569508709051845,3.0682582333718225,0.438393747816624,3.2048297304303466,2.693449151748876,1.0700536464343788,0.49225984790807686,1.603163070699765,0.4984372249282938,0.12156635409353668,0.006171596524168683,3.921019762936164E-4,2.2658380456017317E-22,2.525426263172958E-62,5.428957293156291E-124,2.2509925768881903E-207,1.80014548359E-312,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9255608072114672,2.3209955223681975,1.206208305968851,3.3748721395581494,0.7667576941551711,2.5232108519826744,2.4658647879041817,2.0410067697547203,0.7073072379449562,1.6067586295615557,1.1543605769591643,0.6109797518932742,0.064312460947489,0.004086004905192252,2.3611779405485813E-21,2.6316888776145756E-61,5.657392074276315E-123,2.345707817557417E-206,1.8758903858487E-311,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7620245092172593,2.7072676313430595,6.2027858840242995,7.444514522101701,2.3995495429127356,8.328104547979601,6.526212780369091,8.396030313364774,2.589772168409284,6.550902217602864,5.787018694048609,4.8693982240278855,0.7807297962839123,0.049602690029097604,2.866388567956545E-20,3.194779513932022E-60,6.86787881915668E-122,2.8476083723070576E-205,2.27726621716934E-310,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.277453475239205,2.173927709384622,1.5983669803701308,3.690708618114574,1.021619180057788,2.612725910437059,2.532636886449886,2.641842824294212,0.9184835709295818,1.7342089268556629,1.4519014150704945,1.1215837268899085,0.13969515461916826,0.00887534865313376,5.128794003117082E-21,5.716379905888693E-61,1.228861156355254E-122,5.095190828759907E-206,4.07468458697E-311,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.677664414568737,2.6312912639594632,7.8799544706620726,8.993668237791804,2.981102821515315,10.716518747126734,7.389416865229333,10.82466003968293,3.3534507303180305,8.15314382471771,7.068105843148694,7.603894179100313,1.277939253844068,0.0811922821743112,4.691855004118241E-20,5.229382511870123E-60,1.124170392163888E-121,4.661114595814428E-205,3.72754867088814E-310,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.145438449031233,3.0895911488897867,3.903667732914639,6.746491479163949,1.6867944163189232,8.581108409172876,7.379713754960609,6.371876882726941,1.6708309881558896,6.376311901000509,6.077549089779683,1.8452306270557934,0.2492467699857925,0.015835572059114077,9.15089538302656E-21,1.0199277735980556E-60,2.1925583042012587E-122,9.090939936796273E-206,7.2701325792244E-311,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.116389486846068,1.8228891000814396,0.27725839136195335,0.7089812609896455,0.2525988719472369,0.5865815560171069,0.45571137394362626,0.34727039099441165,7.216536978289461,11.250583845566938,21.053001883252808,0.5634718914844683,1.3895633209551448,3.352548624336758,1.3144593337616077,0.14723361372609436,0.6963814703353652,0.27303559951260714,0.25443735819814484,0.23262325309741108,0.07870789330529614,4.814241571824461,5.093929278108353,10.556998294470686,0.544572205503048,0.565768504600852,3.9003142762748784,1.431817141701168,0.18221677481484044,0.7073028651643553,0.259653016393313,0.34139189421251753,0.28125024151350814,0.1468074789864287,5.514348192790886,6.556140628664634,13.088085113054891,0.5609542977465328,0.7694496147124543,5.01154112705227,1.808377542993989,0.2750502182258446,0.7063513887053523,0.25488167340426465,0.562923440723525,0.44719587078055056,0.339858879977913,7.0949688882721045,10.938578548430847,20.526261120589396,0.5595270830580285,1.3499781914819884,4.2387657664040255,1.51517001603146,0.201552033346525,0.7117411532891259,0.2544157696060208,0.4030248108914722,0.3157611441317675,0.1828290736617096,5.955487815782011,7.582168250931192,14.832114083359471,0.5676117299336888,0.9016150286849492,5.287596078060926,1.884225631075473,0.29251032067612615,0.7083816819699713,0.2524305756429216,0.6264355205416,0.48648137426693583,0.3867096287725013,7.464332029812525,12.060855925028036,22.43947531667413,0.562572522954957,1.4996265235810373,5.033621771079256,1.817230026419403,0.2720318322379409,0.7066831402474276,0.2551256093575409,0.5677266301285239,0.4514657417447131,0.3347502513518531,7.1228836297366,11.010898390907789,20.622124823778964,0.5600247103711414,1.3539426232250902 +UMLCN0446,L,4-propylphenol,CCCC1=CC=C(C=C1)O,Aromatics,Phenols,C9H12O,NREL (2014),IQT,PubChem,,8.6,0,0.47039999999999876,0.22127615999999883,45.0169,24.64351599999998,6,6,22,10,12,0,9,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1566.5378579999986,1639.8460379999995,2074.1912679999987,1861.3507219999979,1214.2123219999983,842.9696159999999,512.020702,280.9748370000002,62.520192,4401.0478258794865,5458.49802852096,7290.779071209961,7169.5685890903,5428.982637887315,3896.8076187937936,2463.213889461095,1174.3731842562713,422.9449971087796,161.83792800000003,165.663648,271.417888,343.66133599999995,310.2075680000001,234.27674400000018,181.99532800000011,111.19445999999998,48.96806399999999,31.078658858187982,39.223195395999994,55.06163072424502,57.006289960188056,45.96238714988606,33.971648128188015,21.892892430489983,10.419956450792004,3.6070740776979995,3545.612314903489,3164.0248347630504,5561.6694321092455,7432.240480629989,6962.104292567688,5355.8215320952895,4184.03078298169,2615.543288852892,1078.510681849848,78.05555555555556,65.08333333333334,96.0,115.61111111111111,91.5,63.5,55.16666666666667,38.5,22.0,71.2062662727272,74.53845627272725,56.059223459459425,39.60320685106378,28.237495860465074,25.544533818181815,20.480828080000002,18.731655800000013,10.420032,200.04762844906756,248.11354675095274,197.04808300567464,152.54401253383617,126.25541018342592,118.08507935738768,98.52855557844379,78.29154561708475,70.49083285146327,7.356269454545456,7.530165818181818,7.335618594594595,7.311943319148935,7.2141294883720954,7.099295272727278,7.2798131200000045,7.412963999999999,8.161343999999998,1.4126663117358174,1.7828725179999998,1.4881521817363519,1.21289978638698,1.068892724415955,1.0294438826723642,0.8757156972195993,0.6946637633861336,0.6011790129496666,161.16419613197675,143.81931067104776,150.31539005700662,158.13277618361678,161.90940215273693,162.29762218470574,167.3612313192676,174.3695525901928,179.75178030830799,3.547979797979798,2.958333333333334,2.5945945945945947,2.459810874704492,2.127906976744186,1.9242424242424243,2.206666666666667,2.566666666666667,3.6666666666666665,0.22196407016497474,-0.11403047636226582,0.025698373410618227,-0.021336517333447422,-0.029945800284244706,0.028696776212208102,-0.008161981525920903,0.020501608611178414,-0.027442565097414866,723.4103290909086,-20.668353818182137,-16.055151561983706,-87.9512283305786,-132.62027413223132,-31.767302181818025,-73.91740196694201,49.64032343801665,-128.94493502479338,1164.7802656466679,38.46343021466042,-135.08756200830038,-177.28246327364707,-216.6982995515167,-190.0636209442457,-120.33849466134212,110.02274324793657,-20.244099771971747,1.0688923636363628,-0.10103563636363418,0.06632066115702517,-0.07650241322314033,-0.0883292561983487,0.11385381818181516,-0.09761441322314071,-0.09092261157024722,-0.29736119008264217,5.258818634449094,0.3615642163636472,-0.9082934871777328,-0.8807704674248731,-0.9124541346055888,-1.2047137231903657,-0.5394599290886997,0.47994869206234103,0.4542312164675174,29.111911324017257,2.2531173418181663,-5.440183626706056,-4.970024190945535,-4.8870832175592955,-7.115469223653991,-2.97372067336389,2.536660227797683,3.301108522448928,24.474747474747463,-3.0631313131313145,4.30257116620753,-0.11019283746556618,-3.271349862258953,0.8156565656565669,-4.112718089990818,-0.6570247933884312,-7.084022038567495,0.01008927591658976,-0.005183203471012083,6.945506327194115E-4,-4.539684539031366E-4,-6.964139600987141E-4,8.695992791578213E-4,-3.264792610368361E-4,0.0013667739074118943,-0.004573760849569145,32.88228768595039,-0.939470628099188,-0.4339230151887488,-1.8713027304378427,-3.084192421679798,-0.9626455206611523,-2.9566960786776804,3.3093548958677768,-21.49082250413223,52.944557529394,1.748337737030019,-3.6510151894135237,-3.7719673036946184,-5.039495338407365,-5.759503664977143,-4.813539786453685,7.334849549862438,-3.3740166286619577,0.04858601652892558,-0.004592528925619736,0.001792450301541221,-0.0016277109196412836,-0.0020541687487988067,0.003450115702479247,-0.0039045765289256284,-0.006061507438016481,-0.04956019834710703,0.239037210656777,0.01643473710743851,-0.024548472626425212,-0.01873979717925262,-0.021219863595478807,-0.036506476460314116,-0.021578397163547987,0.03199657947082273,0.07570520274458624,1.323268696546239,0.10241442462809847,-0.1470319899109745,-0.10574519555203267,-0.11365309808277431,-0.21562027950466642,-0.11894882693455561,0.16911068185317885,0.550184753741488,1.1124885215794302,-0.13923324150596883,0.11628570719479811,-0.002344528456714174,-0.07607790377346402,0.024716865625956572,-0.1645087235996327,-0.04380165289256208,-1.1806703397612492,-0.5137339402611995,0.06884048354524276,-0.04499514709045452,-0.06902516750023686,0.08619045473104192,-0.032359037827482486,0.1354679878626882,-0.4533289492111645,-0.02857071980732641,-0.013196253841369774,-0.05690914051692924,-0.09379494672439048,-0.02927550326957518,-0.08991759049480574,0.1006424774174628,-0.6535683499087751,0.03302204832025216,-0.06895921620246871,-0.07124372135134911,-0.09518438860518412,-0.108783677373818,-0.09091661184969356,0.13853831049188095,-0.0637273552959387,-0.0945236768461062,0.03689230831414404,-0.03350163351367218,-0.042279011443052995,0.07101046656964002,-0.08036420369225057,-0.12475827143408179,-1.0200506624699615,0.06875388590036899,-0.10269728532631384,-0.07839698734671176,-0.08877221892430578,-0.15272298551346533,-0.09027212585128203,0.13385606108316422,0.3167088610872723,0.07739503314436623,-0.11111272434293298,-0.07991211144647342,-0.08588814832498604,-0.16294519780256284,-0.08989015401408249,0.12779768938429625,0.41577704904338975,-0.1251547668179943,0.10452755685937697,-0.002107463053538371,-0.06838533818349347,0.02221763653872614,-0.1478745356995461,-0.03937267849773019,-1.0612876599257126,1.3646209667068325,0.5254864061867843,0.8491163079704138,0.8982629472604408,0.531291156631601,1.044890505265189,1.724025596457283,4.683799487768556,1.0373707284964733,0.9623280878939086,1.008543293894015,1.0152615641947051,0.9122311800077079,1.0433607867453458,0.9188973569611063,1.9238022807179322,1.0630223325085149,1.113774136696625,1.0383491652009311,1.0333259141420712,1.0548732868900397,0.9655493186967194,0.6621824019289486,0.7143588484601804,0.9882120965322136,0.5637081635624226,0.9300915002755835,0.8174289677052988,0.3654357237772733,1.3127905182391022,2.079265673148824,5.578376460390266,1.0747739380823902,1.1675163733036737,1.0489260947459356,1.0180525341025908,1.0807686408531687,0.947261087682936,0.6410143300024528,0.3531624733693749,1.0770377357605987,1.1742108794051913,1.0502436305212342,1.0096016617152381,1.0765282756429588,0.9477987537375462,0.6594958010811368,0.3287010385246843,1.0237825010317791,0.5111446051912418,0.9039205398617859,0.8544244114061949,0.44345852249277773,1.3642633099463484,1.9329446966570376,5.434172513413127,42.29510588759547,21.272552943797727,32.691436703617526,42.49510588759546,4.249510588759546,21.27255294664129,0.24999999999998934,0.30822723081112996,0.030822723081112995,-1.1769180056476451,107.87295696361194,10.787295696361195,4.680954210300604,42.29869542262663,21.273980500862653,32.69302575191063,42.498107885905576,4.2498107885905565,21.273980503701853,0.24926557909867597,0.308130049104557,0.0308130049104557,-1.1772333477732109,107.99955759182717,10.799955759182717,4.682127130743859,45.55685496488686,22.578930243414423,34.19681120182042,45.397257173663654,4.539725717366365,22.578930244145724,-0.3989944780580146,0.21052440144967688,0.02105244014496769,-1.5581537112019272,90.23266965512278,9.023266965512278,4.502391552791622,42.3024629392978,21.275478869758356,32.694693735496884,42.501258779472934,4.250125877947292,21.275478872592984,0.24849480021891068,0.30802802970626697,0.030802802970626698,-1.1775644946094876,108.13305701092362,10.813305701092363,4.68336247818385,49.14401427845917,24.030860007060006,36.040803230513696,48.711096572723505,4.87110965727235,24.030860007228775,-1.0822942643391578,0.07131714220487101,0.007131714220487101,-2.640618556828287,76.07092186563584,7.607092186563584,4.331666087584864,42.672181695846746,21.42265794086253,32.85910628098541,42.8106890445494,4.281068904454939,21.42265794328435,0.17313418587830753,0.29791840988530316,0.029791840988530317,-1.2109356222958931,125.47878110219052,12.547878110219052,4.832136669394125,46.141521509843756,23.255913541684148,37.031907305984404,46.4718270833683,4.647182708336829,23.25591354210873,0.5629629629629562,0.4930333635273575,0.04930333635273575,-0.7071784327315799,46.17781920158187,4.617781920158187,3.8324995789390686,0,11.85,15.994916896857342,-0.3604243926180707,0.10662814183150378,4.7317216969748666,8.50281905456253,10.0,22.0,19.0,16.0,4.0,3.0,0.0,0.0,0.0,6.0,13.118483999999997,3.8068687516104784,3.24347439240999,2.7712786745630984,2.6191819138397157,2.171602704032855,1.7084645197695953,1.3252178454012298,0.9414285011440492,1.9753699043988686,1.6958269952310878,1.2170297784402562,1.0822503020169472,0.8417555813924508,0.6205998885794844,0.4434455004546727,0.3105139719294343,3.8040078501921104,3.258798088190138,2.738653795925833,2.645815031898684,2.1620305703398337,1.567104291387002,1.3935600311490928,1.0533366226901504,1.9532850240003428,1.6354520379299033,1.1568692302443842,1.0071675921888024,0.8239269867118708,0.5117846478042277,0.37339259899794375,0.15015625861415813,3.8645853314184664,3.407603201667594,2.920509902199402,2.7718202154797895,2.476359059553683,2.035350404983435,1.8466900777592516,1.5177937868953852,1.8620516245230125,1.4245650139937087,0.8960302147877788,0.7986202314843541,0.45043541038955887,0.004172081198603426,0.16045135201291902,0.39684308271442076,3.8084608455748503,3.2784053109407143,2.7457757476307236,2.6659250192640345,2.190363106168736,1.582715798443381,1.4174157191820398,1.134811365366185,1.9405361965653274,1.5966512446423393,1.1289382204750011,0.9602789912487919,0.8022848522711143,0.44180599987138297,0.30005339898552197,0.04190290236346183,3.8864676875865447,3.4724594515154483,2.9737982339316194,2.838078587645887,2.571045150341055,2.1564642307166406,2.0123484773377545,1.7214642273785616,1.8409735293534855,1.3626476265304344,0.8391941388909098,0.7385642758080633,0.3545711708764624,0.15428822064380696,0.29859446632837805,0.5943111067077911,4.171548229051128,3.616581825628912,3.1989014475851185,2.776189697099403,2.5832800615529403,2.0907531544385005,1.5720615111759981,1.269371976254202,1.8939356810433043,1.5528059778825072,1.0006030723077577,0.8410556231559974,0.5590180476659344,0.2695452430950785,0.10161639878198206,0.18701949519748828,0,0,0,5,1,1,2,0,0,0.0,0.0,0.0,0.08333333333333333,0.1422588984322123,0.0,0.0,0.0,0.027777777777777776,0.032064454907958485,0.49279927982674443,0.0,0.0,0.0,0.19238672944775093,0.0,0.0,0.0,0.8412609923560824,0.9972302795048928,1.2243442024918718,0.3054823934036747,0.35476181804935863,0.3334534488742588,7.397341225498538,4.825698502695489,3.914572792281043,2.832351898973225,2.02603867417337,1.5934129887191777,0.7357022603955158,0.36785113019775795,0.7397341225498538,0.4825698502695489,0.3262143993567536,0.21787322299794037,0.1447170481552407,0.0995883117949486,0.07357022603955157,0.06130852169962633,6.170828234631557,3.6056341745757194,2.416447180211024,1.4750154396167316,0.9512897315502168,0.5804458243713104,0.23284256520671562,0.11315809983524308,0.6170828234631557,0.3605634174575719,0.20137059835091867,0.11346272612436398,0.0679492665393012,0.0362778640232069,0.02328425652067156,0.018859683305873846,12.965765927132102,21.657683903860157,20.70196078431373,20.96,14.271566467065863,166.55213532934133,0.5893529966878228,0.9844401774481889,0.940998217468806,0.9527272727272728,0.648707566684812,7.570551605879151,2.344700000000001,42.10180000000002,42.88479962011481,59.93902852233004,85.76959924022964,8.576959924022963,42.88479962011481,0.10308498501720886,0.010308498501720886,-2.272201533703664,42.217923451294794,4.221792345129479,3.7428448572052675,102,1.0,0.0,1.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,3.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,2.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6582723922902494,0.0,8.924892290249433,9.007734315948602,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6582723922902494,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8884722222222223,0.0,0.9637046485260771,0.0,0.0,1.8884722222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1456916099773244,0.0,2.255015117157974,0.0,0.0,7.368703703703703,0.0,0.0,0.0,0.0,1.6390306122448983,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.924892290249433,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6582723922902494,0.0,8.924892290249433,0.34708616780045376,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6582723922902494,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.44347222222222227,0.0,0.2702409297052154,0.0,0.0,0.44347222222222227,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1456916099773244,0.0,1.0975,0.0,0.0,1.727175925925926,0.0,0.0,0.0,0.0,0.34708616780045376,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.924892290249433,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6582723922902494,0.0,8.924892290249433,1.9571759259259258,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6582723922902494,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5007638888888889,0.0,0.38708333333333333,0.0,0.0,0.5007638888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1456916099773244,0.0,1.1575151171579743,0.0,0.0,1.9571759259259258,0.0,0.0,0.0,0.0,1.2919444444444446,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.924892290249433,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,22.333333333333336,2.2333333333333334,0.6582723922902494,8.924892290249433,0.17409722222222224,0.34708616780045376,4.544904591836735,1.319580498866213,2.924892290249433,6.141167800453514,1.319580498866213,2.924892290249433,6.141167800453514,4.83333,0.48333,0.0,0.01667,0.51667,0.77667,0.43333,0.47024,0.73333,0.08333,0.04643,-0.0369,0.04333,0.62232,0.09197,0.0,0.17241,0.2069,0.0,11.75,1.175,5.25,0.525,6.5,0.65,1.25,0.125,0.5,0.05,5.81357,0.58136,11.39472,5.58115,0.55812,2.60302,0.2603,4.82569,2.22266,0.22227,0.08831,0.00883,0.17431,0.01743,0.2727272727272727,10.01,0,1,1,1,1,1,0.3333333333333333,1.2072100267448116,2.838909597982605,3.5160276412662306,3.879664004902594,3.9705730958116843,3.8796640049025934,26.558620588385857,62.456011155617304,77.35260810785707,85.35260810785707,87.35260810785705,85.35260810785705,0.27070939303105807,0.636607944859599,0.788447484332241,0.869990693138632,0.8903764953402297,0.8699906931386319,3.2522215918924857,1.6205220206546924,0.9434039773710667,0.5797676137347034,0.48885852282561304,0.5797676137347039,0.25995852959507215,0.6113259071703342,0.7571353413157256,0.8354401700563424,0.8550163772414965,0.8354401700563423,10.053212956902387,21.95504119848241,24.636034979031596,27.001094075758868,26.09342589975887,26.00180544230432,35.83178281299024,24.10572420666531,19.675778714999336,16.462059996981445,17.356398767395003,17.5799834599984,8.1,4.0,2.6508875739644973,3,7,3,2.3400000000000003,1.1978000000000002,0.0,1.9692593638364124,0.47140452079103173,0.0,6.678722918034117,7.003786759473279,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.546,0.429,0.423,0.8510000000000001,0.837,5.244999999999999,12.0,13.0,14.0,16.0,10.0,6.0,2.0,0.0,0.0,93.0,2.6390573296152584,3.1135153092103742,3.5336865647082343,3.9584293782423017,4.440442937595088,4.007333185232471,3.498399709618518,2.7842393394597567,0.0,0.0,5.753167699836944,3.3783602150537635,0.42857142857142855,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.2,4.0,0.4,0,4.0,7.0,0.75,2.0,0.8888888888888893,0.25,0.3422222222222222,0.14583333333333334,0.08081632653061224,0.0,0.0,0.0,0.0,0.2,0.07407407407407411,0.025,0.05703703703703703,0.036458333333333336,0.04040816326530612,0.0,0.0,0.0,0.0,0.43297760770975063,26.402588078704017,40.2804798143266,52.80517615740804,5.280517615740804,26.402588078719614,0.11350868404501241,0.011350868404501242,-2.175875933577727,64.22246014324344,6.422246014324344,4.162352995981875,20.23,141.8447122309613,4.321928094887363,3.8066624897703196,4.553876891600541,5.342334251964811,6.115892125483034,6.90875477931522,7.691200097522863,8.483636407887394,9.269646477873591,10.061132121617643,82.23313564303542,3.044522437723423,0.0,4.23410650459726,0.0,5.631211781821365,0.0,7.1204443723924875,0.0,8.651898894268529,8.9001399880938,136.088815004,6.185855227454545,19.557977041963895,1.9557977041963894,2.512422114327758,2.512422114327758,0.0,127.0,10.0,2.3710000000000004,44.0,1.234241079134592,2.1708334355561574,2.9671371357607974,3.766446255345255,4.7303320008342205,5.620391800432893,6.774391963563965,7.594364602087854,8.56774939426669,0.0,102.08852321603423,131.84915154319359,128.5821951204477,119.89519583069219,135.86765464571758,126.26403858877603,137.05871602488415,84.01557064030419,8.705381720536188,0.0,329.0317902884407,451.85401199942646,477.57164397376505,514.7406930760291,594.2496745240943,588.326454983994,541.8990395043037,556.153601969405,266.31773251964336,0.0,9.311270832526203,15.997383476790148,21.78123393475159,27.36996294382755,33.72601968540695,41.17014909025395,50.153597848860684,62.716591659136675,57.562115866402564,0.0,2.324623456636736,3.363375122152146,3.7363938174211175,4.259471750776268,5.066919819175201,5.135369263258118,4.750944815466997,4.65157458518783,3.8093319462031725,0.0,175.30394639646184,323.26319857240156,465.19147345229146,603.0873549256521,762.428319562346,932.4841995213843,1179.3345588174031,1362.1681435893563,1584.3281011199779,0.0,3.7277347310144133,5.855559404649633,7.604330985964243,8.464241482054943,9.504059486792622,12.999167747693184,17.574126099688097,29.20948606608417,8.56774939426669,0.0,0.49460790701320806,0.7259667030826069,0.8275399816776143,0.9415240817906535,1.115382757941957,1.2003923656547288,1.218236440992395,1.379633709223888,0.877337537972909,0.0,292.17878510890347,213.0246215300718,19.11093143389241,101.89546332408253,-74.29096024940159,-15.30218845524168,190.28332178482094,287.3155817794734,34.413119889134094,0.7414307995783432,0.540569759067364,0.048495763196620814,0.2585692004216568,-0.18852021045479475,-0.03883072420004598,115.14013514985406,83.94751762718434,7.531125941665479,40.15437812816871,-29.27615432564777,-6.03019841487928,0.29870934556366285,0.4943137360308938,11.583933669378919,16.836682806119647,321.2335756911643,72.84067274182166,0.8151600287725764,0.1848399712274235,769.3763941630122,27.737634977824122,9.163181432433799,893.7181280455287,29.895118799655716,9.63237811718377,1320.9206915524367,36.344472641000536,10.972162923775883,2.2659513703089953,2.2659513703089953,854.7246823643065,785.1468216127782,116.74728782115358,1.0886176430143444,7.321152365215271,6.72518253970536,4.445077486336204,4.49111104134764,8.747483243883664,0.9477325684779376,4.319256931715951,3.89202477779627,3.796893656717152,11.873102313616819,3.8866733941957183,6.581590248478637,3.4967619803958376,10.847771863943244,4.519501308943932,2.89378674931715,7.437145408216254,4.007840930508697,1.7328439577579147,0.4779104414599604,0.6650952654190349,0.5457285283606276,0.0017011937677426617,2.5509874034936274E-25,7.37834221577711E-69,4.1160930077422695E-134,4.428814288204103E-221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3883628355619446,3.9324368003123715,0.3007395538370397,4.616368879957738,0.9686411384100604,2.99133195837039,1.4518428679340085,1.801419489652244,0.5108523025124989,1.3589293701780418,1.5339661901210233,0.3377612037534647,0.08270376834083543,0.04273690651175714,0.07230008274134678,0.003866275980978573,1.1981646804805195E-5,1.7966812865018248E-27,5.196626751797389E-71,2.8989979607047562E-136,3.1192501155084946E-223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0987967852864624,3.8570518337515685,0.9819522734878477,5.1840555490858735,1.2685252600010195,2.5894147515023,1.3851501615930724,3.1222490391369186,0.928894099141165,1.1190003702181932,2.380384465298015,0.7507688919637986,0.30830703889832733,0.05413477673484489,0.13470146011998804,0.04008048663073616,1.2485799760431386E-4,1.8722804253902197E-26,5.415285737401445E-70,3.0209793889719834E-135,3.250499115807875E-222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.3656174506090775,3.932399602961204,3.5713955728050553,11.520255242026984,3.6034090300601704,6.65345772678988,3.644554568263686,10.670987085828164,4.132514028118877,3.0592486691329475,8.16003303715888,3.6642960932247495,1.5924756526001105,0.4388743848462271,0.8116480201548821,0.48631116357375537,0.001515733019544476,2.2728838497027805E-25,6.573970077960017E-69,3.6673647656431155E-134,3.945993796443757E-221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.532773416063363,3.8284129691576023,1.4592119422886467,5.782434742880481,1.5621997733016701,2.686157501074727,1.5059970668478646,4.04230932676312,1.3346970018709547,1.1420111256738155,2.7641685828651537,1.134093277039178,0.4962017713613461,0.08572242912019112,0.14333227469164128,0.08701043649100443,2.712082551497292E-4,4.0668432704668855E-26,1.1762724248006984E-69,6.561970916135207E-135,7.060518432769846E-222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.449900108036349,3.917668016896149,4.644849907714145,14.971222503875945,5.054274724383587,8.437033802984226,4.211646634047207,13.94303464459642,6.113095232798402,3.5972023942824563,9.683594441757297,5.414964574711535,2.297241202573175,0.6895880269818807,0.9521302437797731,0.7958917339018721,0.0024810312293866276,3.720375382186911E-25,1.0760618693504323E-68,6.002934814897164E-134,6.459009412412942E-221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.5764773543060215,3.543769355862086,2.000713960621512,8.55789483193787,1.8577714311086468,7.593965572430724,4.241303682845822,7.827145404327569,1.7575531124725878,3.434085838611129,9.158311512802582,1.7070330472479744,0.7132125367577759,0.24434620402237628,1.1193579258272937,0.16601649560646747,5.165223892896293E-4,7.745396989366322E-26,2.2402380155358233E-69,1.24974252504961E-134,1.3446920516871264E-221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.678809280610825,1.3274978446296273,0.4253888086624162,0.792107463666486,0.1574413801251908,0.5254379606254254,0.3998603444543151,0.31053542024013087,8.43169593390287,12.271898374494672,24.475136119793024,0.6881611954997291,1.2358337253198715,6.063640046023405,0.6855677724920286,0.17372407421811964,0.8758774663647814,0.09902853055821828,0.43538433606751503,0.10607015092861746,0.05039590164270025,6.922931892733553,5.329536079523016,12.97464523751386,0.813816199547172,0.5918503886388328,5.784842004506806,0.9330805280370058,0.2630868953366552,0.8286540885338936,0.13365982923766118,0.39480161301286887,0.19767147999023751,0.11816062629652514,6.981009427880466,7.165120814374973,15.566200541912501,0.7429811328008403,0.7106337192996315,6.814045120686435,1.2915820608866038,0.41314601783973304,0.7998857301607878,0.15161596988820372,0.5470269493108486,0.3787645467552239,0.29179699030276696,8.518773199412772,12.149706032110892,24.304535375401127,0.6998285952411817,1.2175884863688395,5.792946089251059,1.0549152672268818,0.30932138890170024,0.8093891542717317,0.14739252926130583,0.39563814495942146,0.25266048640271743,0.16420318282853372,7.15718274537964,8.229257257565239,17.27672381912149,0.7140837314075976,0.8125018141906726,6.868900220876844,1.380601357530875,0.448103387925638,0.7897461712120689,0.15873350915279547,0.5557170577854407,0.43245680335132186,0.3443467212616078,8.697604966333357,13.179842575669097,26.126907402139413,0.6846192568181033,1.3325205823983703,6.797617823396617,1.2967424454438974,0.41302590167848346,0.7990254218096607,0.15242548292183483,0.5443789400634113,0.38177669947693904,0.2918733405081414,8.507386170518998,12.157940008052698,24.306050193715013,0.6985381327144911,1.2180289800484916 +UMLCN0447,L,4-ethylguaiacol,CCC1=CC(=C(C=C1)O)OC,Aromatics,Ethers,C9H12O2,NREL (2014),IQT,PubChem,,19.6,0,0.45299999999999985,0.20520899999999986,48.3352,25.44551599999998,6,6,23,11,12,0,9,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1822.5058589999985,1879.9098949999993,2436.2898219999993,2604.5092379999996,1863.2581129999985,1146.034772999998,583.5997899999998,144.307296,12.192768000000001,4617.438602843842,5640.440130923272,7516.026757876753,7915.3067006894225,6711.474915400346,4868.523009854789,2907.644269647602,1391.118395210263,373.00493317116315,175.18964400000004,178.1909,290.63029599999993,329.67611999999997,333.97437199999996,321.6921959999999,217.92563200000015,152.14003200000002,80.62156799999998,31.721862858187983,39.112975396,53.55257463194302,57.553376505943035,51.94721712309404,40.52236616388604,25.279672103640987,14.289856081339005,5.335354858188001,3731.063600705989,3343.9171355030508,5875.008936798794,6667.216876092544,6925.651805862595,7143.228372448587,4860.911056471691,3661.5048363454894,2219.011824290988,90.83333333333334,75.44444444444444,109.27777777777779,140.61111111111114,123.91666666666666,101.83333333333333,70.5,43.0,12.0,79.23938517391298,81.73521282608692,64.11289005263156,60.56998227906976,42.34677529545451,26.651971465116233,20.124130689655164,6.8717760000000006,1.016064,200.7582001236453,245.2365274314466,197.79017783886192,184.07690001603308,152.53352080455332,113.22146534546022,100.26359550508973,66.24373310525063,31.083744430930263,7.6169410434782625,7.747430434782609,7.648165684210524,7.666886511627906,7.590326636363636,7.481213860465115,7.514676965517246,7.24476342857143,6.718463999999998,1.3792114286168689,1.700564147652174,1.4092782797879742,1.3384506164172798,1.1806185709794101,0.9423806084624661,0.8717128311600341,0.6804693372066193,0.4446129048490001,162.2201565524343,145.38770154361092,154.60549833681037,155.05155525796616,157.40117740596807,166.1215900569439,167.61762263695488,174.35737315930902,184.917652024249,3.949275362318841,3.2801932367149758,2.875730994152047,3.2700258397932824,2.8162878787878785,2.3682170542635657,2.4310344827586206,2.0476190476190474,1.0,0.354269925181997,-0.15842712166571762,-0.08563448779665556,0.17057999135824106,-0.10810330486981803,-0.024709765868988286,0.014412089196598152,-0.01167738749739651,0.026425024552738235,815.4315438260874,-0.8581135652179839,132.1559867655951,62.176383499054424,-430.20552566729674,-231.37315697920536,-293.57765582419614,-23.575967971644104,377.5422778298682,1171.1552624790145,-9.819961398983693,261.1814899461997,-119.28659821694146,-758.7781147839985,-227.4346197750081,-314.87216230166257,50.27443332774217,533.1579019631461,1.93347547826087,-0.1373053913043463,-0.2512093988657832,0.7132882797731582,-0.4156250888468799,-0.5079198941398869,-0.485793429111531,-0.16164578449905653,0.279472967863891,5.334530310959478,-0.16889042069564258,1.0227714312845642,-0.8251317415327133,-3.4887989675865656,-0.6634310576335536,-0.9350615037129559,0.42961617306868627,1.9616609313284386,30.021631648011635,-1.2064650829674195,5.162887705883113,-4.656837116891142,-19.28517968834289,-3.203165390126708,-4.450160318580877,2.6204424581884713,10.007661608831675,28.050724637681178,-3.859903381642512,0.9765805503045581,9.610480991388362,-7.383270321361058,-8.239760554505358,-4.8175803402646515,-5.415879017013236,5.103969754253307,0.015403040225304218,-0.0068881357245964185,-0.0022535391525435673,0.0039669765432149085,-0.0024568932924958643,-5.746457178834485E-4,4.969685929861431E-4,-5.560660713045957E-4,0.002202085379394853,35.45354538374293,-0.03730928544426017,3.477789125410397,1.445962406954754,-9.77739831062038,-5.38077109253966,-10.12336744221366,-1.122665141506862,31.461856485822352,50.919794020826714,-0.42695484343407364,6.87319710384736,-2.7741069352777084,-17.244957154181783,-5.289177204069955,-10.857660769022846,2.3940206346543893,44.4298251635955,0.08406415122873348,-0.0059697996219281,-0.006610773654362715,0.01658809952960833,-0.009446024746519998,-0.01181209056139272,-0.016751497555570035,-0.007697418309478883,0.02328941398865758,0.23193610047649904,-0.007343061769375764,0.02691503766538327,-0.019189110268202636,-0.0792908856269674,-0.015428629247291943,-0.03224350012803296,0.020457913003270774,0.16347174427736988,1.305288332522245,-0.05245500360727911,0.13586546594429247,-0.10829853760211959,-0.4382995383714293,-0.07449221837503972,-0.15345380408899575,0.12478297419945102,0.833971800735973,1.2195967233774425,-0.16782188615837007,0.025699488165909425,0.22349955793926424,-0.1678015982127513,-0.19162233847686877,-0.16612346000912592,-0.2578990008101541,0.42533081285444224,-0.44719325690525324,-0.14630482811058548,0.25754503560264247,-0.1595070360499133,-0.03730729190328391,0.032264318323970864,-0.03610105947727687,0.142964333481208,-0.0010523428627639644,0.09809425510953618,0.0407847054872485,-0.2757805518402051,-0.15176961949218737,-0.28553893080762766,-0.0316658074490247,0.8874107270594453,-0.008384850167686161,0.1349808504927603,-0.0544799323843115,-0.3386690281411669,-0.10387271405510061,-0.2132306498447726,0.0470155207948251,0.8725452649204207,-0.07101480874629466,-0.07863962887551436,0.19732667596289782,-0.11236686040899806,-0.1405128153765894,-0.1992704061210375,-0.09156600283198807,0.2770433490167348,-0.03165984835603374,0.11604505555662922,-0.08273446966116849,-0.34186521832551703,-0.06652103409341942,-0.13901889383235552,0.08820495369733818,0.7048137135250908,-0.04018652607268682,0.10408847038550925,-0.08296905358285958,-0.3357875248332994,-0.05706955047326312,-0.11756314698107558,0.09559801546554039,0.6389176858146476,-0.13760440885214834,0.021072119720639746,0.18325693539117133,-0.13758777388976293,-0.15711942710554924,-0.13621179593618324,-0.21146252352658967,0.34874709377421825,1.3428665960274426,1.0558859969875167,0.7150337467055116,1.1539043185218072,1.0485046931090585,1.1083960377864586,0.926990175853109,0.31468155751121385,0.9408650929844042,0.8636060190140222,0.9205673761104503,1.2230294361321652,1.1166336314157668,1.2621850378399269,0.9774652156202548,0.0,1.0875602209361652,0.8749597890905206,1.0500387663255832,1.302083777921686,1.0095501325608947,1.0941673264558869,0.8167991231016598,0.0,0.9553247839169361,1.0500253214240118,0.7975336321913152,1.0864027103614446,1.1699823030897742,1.3285333326286335,0.9616284112655765,0.0,1.1968081957948817,0.9310900454633576,1.1115216677052364,1.3238010286767108,0.9462434946783982,0.9903711848777303,0.6971465792087804,0.0,1.2236787779795109,0.9523944845106934,1.121148638124175,1.323298289231605,0.9332586633150882,0.9681966977188965,0.667716893958948,0.0,1.016360974769654,0.7034561992685143,0.8025328471099944,1.111329975027985,1.1820133411032936,1.2587008614008668,1.531239620622208,0.0,43.64780894589054,22.073904472945262,31.2136497194845,44.05689985498144,4.0051727140892215,22.073904474340274,0.4999999999999858,0.20693613643907866,0.018812376039916243,-1.7328795582303855,91.3471457944315,8.304285981311955,4.966133741372704,43.66014769270656,22.079339425451973,31.219728766497656,44.06803682214078,4.006185165649162,22.079339426839056,0.4985311581973839,0.2065515154309372,0.01877741049372156,-1.7349259711235698,91.58036176906522,8.325487433551384,4.968938543280363,54.937733433678495,27.06987223878123,37.44638157847038,54.575011180898485,4.961364652808952,27.0698722387894,-0.7979889561160363,0.20251474759898047,0.018410431599907316,-1.7566368241818677,73.31846250292836,6.6653147729934865,4.7242936983767905,43.67309862797579,22.085044114206834,31.22611071359932,44.07972648287951,4.007247862079955,22.085044115585642,0.49698960043788176,0.20614764628819848,0.018740695117108953,-1.7370789011027752,91.82886728375308,8.348078843977554,4.971919377285783,67.35960659557935,32.59750903345053,45.92728360553537,66.3757027189074,6.0341547926279455,32.59750903345056,-2.164588528678287,0.5185176515222369,0.04713796832020336,-0.7224593293001983,95.22259970377485,8.65659997307044,5.01183903601778,44.94581453998215,22.646041455869366,31.85993581368244,45.22912502596482,4.1117386387240735,22.64604145663634,0.34626837175657954,0.16559228211534027,0.015053843828667297,-1.9780493080708204,405.32561948613437,36.84778358964858,6.605159817084279,43.38506078223372,22.17253443457436,32.36417156986404,44.15141807549793,4.013765279590721,22.172534436020115,1.0650793650793275,0.4227812476494113,0.038434658877219204,-0.9469904166121585,93.70842901938526,8.518948092671387,4.994206956987484,0,11.996268791219165,15.99826011576409,-0.37500335903582516,0.10561934549633636,4.828498447618876,8.463259112794212,11.0,23.0,20.0,17.0,5.0,3.0,0.0,0.0,0.0,6.0,15.034483999999997,3.8367341596840827,3.1701689146413057,2.928164358239619,2.5808846789758917,2.4753997699141763,1.8496226266174451,1.5112317760486318,1.1617636178956987,1.95726393346518,1.5863373380848733,1.4091042610972333,1.029145168046681,0.9467878686168477,0.7043507964493652,0.4113511506021114,0.11895709386283025,3.813899891780917,3.1458847948204713,2.853226375218206,2.5543468922720436,2.485707256233466,1.7608279898795995,1.4498294038359918,1.0820934512995541,1.95191893608771,1.5397283686462426,1.3665316028627228,0.9849556969552641,0.9198108214997457,0.6390727292317206,0.34555739952311787,0.048999400020649515,3.8813506705089305,3.315362936520819,3.1003507626702262,2.756860771120471,2.6733253735541584,2.182829919203994,1.909628958214386,1.5505408700176422,1.8599998414776924,1.3032577741463607,1.0457476512275994,0.7323293010605794,0.6657812380282719,0.16165041738074606,0.17748005743297696,0.4770923928129894,3.8122890485615315,3.1554875588388778,2.84790362894462,2.57127272609984,2.500761828496242,1.7955547805794572,1.424995134317612,1.1107571680079418,1.950109309222601,1.5110737660910096,1.3400082478537398,0.9781599006375656,0.8837902882807611,0.5818317246480705,0.2956781153710298,0.003419085774556923,3.8943488183798367,3.371044773713198,3.160362891466976,2.807686865292603,2.7436447690071746,2.3059983758597715,2.024681420158287,1.6891161838777464,1.8454540340208423,1.2461622616946901,0.9811942213132839,0.6690551802502446,0.6080056019959412,0.024065610898280337,0.2898364269500443,0.628111179883941,4.157423069007483,3.6205595627633484,3.288725032987786,3.009435837260916,2.636001156060501,2.3071720114356444,1.7685975435358305,1.5518063671054994,1.8889955606260278,1.4149076966350687,1.1127694178314704,0.8048364974665396,0.7280921515745165,0.3626820489237741,0.14900262899659195,0.26927040306670663,0,0,0,5,1,1,1,0,0,0.0,0.0,0.0,0.06804138174397717,0.1642664266089148,0.0,0.0,0.0,0.024056261216234408,0.0375895600252725,0.6064930722941141,0.0,0.11785113019775793,0.0,0.24132641773342717,0.0,0.015214515486254614,0.0,1.5137223511231248,1.9394744611907637,2.2963737759787404,0.49446734248038715,0.526386398855906,0.5043130981538092,8.267584713501616,5.274386907679233,4.232938053875864,3.572805040184283,2.4524339266261244,1.8093388150082457,0.9960301594760165,0.33678765702728175,0.7515986103183288,0.47948971887993025,0.3023527181339903,0.21016500236378133,0.13624632925700692,0.09046694075041228,0.07114501139114403,0.04811252243246882,6.794619474719247,3.63467327693818,2.3597545747435813,1.6523818562815897,0.9419527574285491,0.5905712103716251,0.2736257699572802,0.08211085942697206,0.6176926795199316,0.33042484335801636,0.16855389819597008,0.09719893272244645,0.052330708746030505,0.029528560518581253,0.019544697854091443,0.011730122775281723,13.680565031548955,22.988346686088853,22.05098039215687,22.359999999999996,14.751805988023946,174.70665628742518,0.5948071752847371,0.9994933341777762,0.9587382779198639,0.9721739130434781,0.6413828690445194,7.595941577714138,1.9632000000000012,44.03680000000002,48.93629732171855,66.50429958649163,97.87259464343711,8.897508603948829,48.93629732171855,0.031158094853665552,0.002832554077605959,-3.815549320678565,79.31090745110295,7.210082495554814,4.810713232439724,101,1.0,0.0,2.0,6.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,2.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,1.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6338973922902493,0.0,14.142928949357522,7.290648148148149,0.0,3.1298390273316112,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6338973922902493,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5422916666666668,0.0,0.7612414965986395,0.0,0.0,1.5422916666666668,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.611422902494331,0.0,0.9550000000000001,0.0,0.0,5.379814814814814,0.0,0.0,0.0,0.0,1.910833333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.205475245653817,0.0,4.937453703703704,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6338973922902493,0.0,4.937453703703704,0.19879629629629658,0.0,3.1298390273316112,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6338973922902493,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4765277777777778,0.0,0.3341581632653061,0.0,0.0,0.4765277777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5500925925925926,0.0,0.9550000000000001,0.0,0.0,1.650462962962963,0.0,0.0,0.0,0.0,0.19879629629629658,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.205475245653817,0.0,4.937453703703704,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6338973922902493,0.0,9.205475245653817,1.8867592592592592,0.0,3.1298390273316112,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6338973922902493,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5445833333333334,0.0,0.42708333333333337,0.0,0.0,0.5445833333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0613303099017384,0.0,0.9550000000000001,0.0,0.0,1.8867592592592592,0.0,0.0,0.0,0.0,1.1663425925925928,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.205475245653817,0.0,4.937453703703704,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,26.0,2.3636363636363638,0.6338973922902493,9.205475245653817,0.20430555555555552,0.19879629629629658,4.011175990173847,1.4678703703703702,3.205475245653817,9.408518518518518,1.4678703703703702,3.205475245653817,9.408518518518518,5.16666,0.4697,0.0,0.0303,0.55797,0.83939,0.43333,0.5046,0.79445,0.12464,0.05337,-0.07126,0.04495,0.55957,0.15472,0.0,0.25806,0.29032,0.0,13.25,1.20455,6.25,0.56818,7.0,0.63636,0.75,0.06818,1.0,0.09091,6.44191,0.58563,13.71036,7.26844,0.66077,2.55209,0.23201,5.27437,2.72228,0.24748,0.13963,0.01269,0.22563,0.02051,0.2608695652173913,11.02,0,2,2,2,1,1,0.3333333333333333,1.3257847812033308,2.97965869499932,3.816402716644387,3.9361804341297555,3.9361804341297555,4.023136955868885,30.49304996767661,68.53214998498436,87.7772624828209,90.53214998498437,90.53214998498437,92.53214998498436,0.2930842539755901,0.6586974432857233,0.8436720340558738,0.870150662766814,0.870150662766814,0.8893736827196403,3.197777174853682,1.543903261057693,0.707159239412626,0.5873815219272576,0.5873815219272576,0.5004250001881276,0.2820554800621176,0.6339106282970695,0.8119246167364274,0.8374068534350692,0.8374068534350692,0.8559065102657962,11.75053324793567,25.127027305191366,29.19861910657888,28.016108906971247,28.016108906971244,29.406971047840813,39.381733221953574,24.029185131196243,18.026492695580174,19.222157133278454,19.222157133278458,17.466635772543146,9.090909090909092,4.13265306122449,2.2145328719723185,2,8,2,2.23,1.2565000000000004,0.16666666666666669,2.505601599140704,1.9103196584195121,0.0,2.94168275343288,7.065551058002885,0.0,1.6509636244473134,0.0,0.0,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.29500000000000004,0.37199999999999994,0.322,1.112,0.79,5.5009999999999994,14.0,17.0,18.0,20.0,14.0,7.0,2.0,0.0,0.0,114.0,2.70805020110221,3.2386784521643803,3.7436043538031827,4.1647253589839,4.621904384979256,4.392904752821065,3.8937317354558947,2.6141972922958634,0.0,0.0,5.982518399394116,3.46875,0.5,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.18181818181818182,5.0,0.45454545454545453,0,3.0,6.0,1.0,2.5,1.333333333333334,0.6875,0.5733333333333335,0.23611111111111113,0.0,0.0,0.0,0.0,0.0,0.22727272727272727,0.09523809523809527,0.049107142857142856,0.06370370370370372,0.04722222222222223,0.0,0.0,0.0,0.0,0.0,0.4825438912938913,29.061703474314587,41.26408679215206,58.12340694862918,5.283946086239016,29.061703474315735,0.05711333384444667,0.005192121258586061,-3.148989439381766,66.5157539607595,6.046886723705409,4.617182703397656,29.46,150.63493893152238,4.459431618637298,3.9318256327243257,4.727387818712341,5.54907608489522,6.368187186350492,7.193685818395112,8.017307507688582,8.843182098022606,9.667955074409104,10.493743388746434,86.79235060994422,3.1354942159291497,0.0,4.3694478524670215,0.0,5.831882477283517,0.0,7.392031567514591,0.0,8.997518369733845,9.225819942824568,152.083729624,6.612336070608696,21.41743580500234,1.9470396186365766,5.294957003245333,5.294957003245333,0.0,154.0,14.0,1.8310000000000006,50.0,1.2347523365635227,2.149572550300628,2.991330911395555,3.7692837595810134,4.454229385880579,5.297935939911731,6.498853181395317,7.28070835937147,0.0,0.0,111.13802857385882,149.60482230774878,193.33050040946858,171.5543991305422,135.39412969519506,122.69716317990442,46.4131447821114,7.397665658456414,0.0,0.0,323.02979224351964,451.8821757518353,573.6457619817625,601.8386427044323,537.6569938769886,574.739776045779,444.2075433199129,226.31167791884036,0.0,0.0,9.613590531285933,16.52692465657264,23.03949961873846,28.737537516611084,33.44546478845089,40.338203005020084,47.1294614689673,48.91517700693628,0.0,0.0,2.2000062720751385,3.1746321034762657,4.111878798275712,4.59094883902296,4.371091581774102,4.849160746186282,4.53416183774498,3.2370968930185455,0.0,0.0,177.7471323221652,328.67775093590774,460.5225695064127,590.0736944852323,734.5351604709728,880.5683891210878,1127.770967680094,1346.3314948882942,0.0,0.0,4.1661437672345905,6.441092823635656,10.073790383175634,10.815063420212239,10.709713369329814,13.865225690988705,13.438461894748324,7.28070835937147,0.0,0.0,0.4935185414908947,0.723931848696541,0.955318946747752,1.0741779123716189,1.0394488476882153,1.1785357067459288,1.0810282745454545,0.7455445359996385,0.0,0.0,300.17914532558115,285.7767988210213,18.063559032695174,98.43508900969294,-93.71225505469877,-19.534431934805596,201.7440563158882,379.48905387572006,37.59799096750077,0.7530567638312202,0.7169257246861254,0.04531589059487006,0.2469432361687799,-0.23509510444596288,-0.049005856420007335,119.65568017737348,113.91469985282706,7.2003917531878106,39.2376276373233,-37.35503879646066,-7.786702628867059,0.22888788308797825,0.3757772794861791,5.33183264415492,11.461531712605781,325.56714095740364,73.04709337787043,0.816747403665393,0.18325259633460703,909.5484633824989,30.158721182810435,9.688918025180323,1033.6778849714096,32.15086134104978,10.11102245645032,1674.1703111789138,40.91662634160976,11.874077487540315,1.7275981573202908,1.7275981573202908,851.6804663141955,701.1903654379378,212.19503284121942,1.214620890836495,4.013668250903348,3.304461730556257,4.555679480749948,4.389329296889234,8.438427848980085,0.9224868489499048,4.237602062121573,3.4484590761782172,6.006301707096549,9.160389063976636,6.470505837348806,8.48299647101873,7.246231770426174,9.577809904922738,4.801097695514666,5.785197420175159,6.10758868573895,5.524282418089047,3.0790404618400737,2.5044848253563696,1.7320968224457463,0.6844682806077647,2.0134772888424963E-14,1.1423943588429341E-49,1.2501475361539429E-106,2.6386536811297186E-185,1.0741858386294736E-285,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.38151442594593565,3.6564907714869905,0.4980237628575524,3.98674835780623,1.4005758140227809,4.1995044377840705,2.73067522945647,1.7245577518575073,1.0293168843671137,1.6451880007002375,0.5009333815871124,0.18718273715203074,0.10987310975047945,0.09405951166673344,0.01219930581021969,0.004820766066064673,1.41810851778625E-16,8.045976877531365E-52,8.804891315802077E-109,1.8584253626467433E-187,7.565578692578854E-288,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0766768815553556,3.2694736170333267,1.2479927301126272,4.3908396682003765,2.025600307816444,3.597834229334858,2.6273775716760985,2.8042154339509713,1.5704500628556919,1.7868790715047007,1.1632045398376887,0.7658170807330502,0.3583976476133773,0.38015334188448824,0.12712612307172835,0.050236099238567616,1.4777784122747013E-15,8.38452825446568E-51,9.17537561175451E-108,1.936622513226518E-186,7.883916306850415E-287,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.288543252484827,3.6557803441115295,6.373275296553037,9.19724844382485,6.0965452496228725,8.792625139468626,7.67012164765622,9.733425309797726,4.670670244704867,6.139337703273748,6.534578434590573,5.037610998461001,2.9876562380622347,2.2840707422733413,1.543267089233839,0.6098489151677637,1.793972014634796E-14,1.0178528065837053E-49,1.113858947628911E-106,2.3509929247729856E-185,9.57080243068502E-286,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.50017076473376,3.1224094826573294,1.661958782631328,4.800583436148792,2.579958009976916,3.679436033130106,2.816891518608334,3.492470489344074,2.002090935676113,2.0160944220260837,1.5258704591814314,1.3094442040574403,0.5801782967747592,0.637691290864727,0.2761349113318036,0.10911952042669823,3.209932182006351E-15,1.8212315764934842E-50,1.9930141903231554E-107,4.2066028830635416E-186,1.7124919719628148E-286,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.351290033525101,3.5798278751417123,8.110563475396708,11.199841874183468,8.21846459580203,10.558733697172855,9.14667606328438,12.465151898128624,5.899155411141849,7.432305321966999,8.428541560727394,7.613510244054954,4.419840242352688,3.403294184165832,2.5261004099208386,0.9982326598608356,2.936467396014243E-14,1.6660748083537407E-49,1.8232226906487618E-106,3.84822840910449E-185,1.5665990919664213E-285,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.5389736650918957,3.8304974508978757,4.162287132547527,7.7782838972953945,3.9596128293836523,10.165050362539366,8.170874131492463,7.495865419764339,3.0201235064521295,6.051156364986402,5.615491039398843,2.1819011759735587,1.9351517296245833,1.0408773674680702,0.5153346160446511,0.20364345538743417,5.990510942010734E-15,3.3988592494500525E-50,3.7194472150034674E-107,7.850539877741314E-186,3.195924809145542E-286,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.456811370749683,1.6564502802492818,0.43957832457126594,0.7549318576276994,0.19367254443911697,0.5824550902426989,0.41501818258136186,0.3625498949938253,8.552839975570231,14.261800967949489,27.516101243640907,0.6323977864415493,1.360023167817886,4.554903468264077,1.2067622009466363,0.21075032786021675,0.7626567657875727,0.20205595215378036,0.2984523754065402,0.2171350621089104,0.0673389343982683,5.9724159970709305,6.710958263268938,13.841802496722142,0.6439851486813591,0.5829263719137189,5.081459402749837,1.3117998459888351,0.28597155757985915,0.7607851188407493,0.1963998376501493,0.36288613496983146,0.259590701620433,0.14886624493817913,6.679230806318531,8.494147967299392,17.07962447180447,0.6411776782611239,0.7713430815284436,6.3763858175778125,1.6478866220365844,0.4318937844049848,0.7540516173234579,0.1948739627842027,0.5693450926378718,0.41072620936798515,0.3478272605886451,8.45616622401938,13.973194276771968,26.967510736595194,0.6310774259851869,1.327898562594502,5.426345138065905,1.3843077770335797,0.3242771970102225,0.7605323461902004,0.19401840736800963,0.4116572807349926,0.28936472316797673,0.19610637846244172,7.134930112109707,9.720271212610946,19.29108464957014,0.6407985192853005,0.897128382365411,6.658271704014529,1.710595840062731,0.4621955520704475,0.7539603818388529,0.1937021422493208,0.6193889146737311,0.44274729370495297,0.40108470357501563,8.831063096147709,15.257665233633887,29.352956280015434,0.6309405727582795,1.4632209119536996,6.3885812653005445,1.6541988381733994,0.4304893034619165,0.7539688588292874,0.19522556863580212,0.5713171393717866,0.4141256885244596,0.34713450087519954,8.473269406935861,14.030314511278366,27.052987863081057,0.6309532882439313,1.3325773287714457 +UMLCN0448,L,4-propylguaiacol,CCCC1=CC(=C(C=C1)O)OC,Aromatics,Ethers,C10H14O2,NREL (2014),IQT,PubChem,,18,0,-0.028200000000000808,7.952400000000455E-4,51.6604,28.53910199999998,6,6,26,12,14,0,10,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1968.8021079999983,2048.3881919999994,2629.9983589999993,2801.2659669999994,2169.989826999998,1505.1734149999982,981.6237559999997,540.251758,141.259104,5103.122993455032,6293.430265413639,8429.573869539096,8922.105045644556,7859.747801855101,6341.8090227146995,4395.715463225047,2604.1165263201788,1297.8671619174725,196.1670880000001,199.96668,333.3598039999998,392.5610199999999,396.4838199999999,366.0420919999999,302.32697600000006,223.0474240000002,131.98463999999998,35.39998866788601,44.128964016,61.24026477679202,66.574905365339,61.30623886218806,51.89220621418805,37.77747450188604,23.04855938788598,12.956017366792004,4227.693260844487,3776.9565870188508,6799.211135764642,8146.17203113114,8441.86897790099,7945.71706685749,6799.188010679187,5173.009125741336,3106.7518802727423,95.08333333333334,80.69444444444444,118.44444444444444,152.7777777777778,136.08333333333331,116.41666666666666,89.66666666666666,67.5,40.0,75.72315799999993,78.78416123076921,59.77268997727271,53.8704993653846,40.94320428301883,30.71782479591833,23.942042829268285,18.008391933333332,7.847728,196.273961286732,242.05501020821688,191.58122430770672,171.5789431854722,148.2971283368887,129.42467393295306,107.21257227378163,86.80388421067262,72.10373121763736,7.544888000000004,7.6910261538461535,7.5763591818181775,7.549250384615383,7.480826792452829,7.470246775510202,7.373828682926831,7.43491413333334,7.332479999999999,1.3615380256879233,1.6972678467692306,1.3918241994725458,1.2802866416411347,1.1567214879658125,1.0590246166160826,0.9214018171191717,0.7682853129295327,0.7197787425995558,162.60358695555718,145.26756103918657,154.52752581283278,156.65715444482962,159.28054675284886,162.15749116035693,165.83385391900455,172.4336375247112,172.59732668181903,3.6570512820512824,3.1036324786324787,2.691919191919192,2.9380341880341883,2.5676100628930816,2.3758503401360542,2.1869918699186988,2.25,2.2222222222222223,0.35868070524157364,-0.15843372740826112,-0.08959470584807001,0.17059562080671925,-0.09870821861947063,-0.049487229977653306,0.04100870500716658,0.005393364298159229,-0.026184744110716026,906.1448618461545,0.928590461537766,95.28646556804684,113.20727161538427,-208.71377737869824,-422.7179441715972,-204.68100737278047,-39.406559514792434,-134.96411173964464,1328.5897944913063,-12.073981773272308,180.85325242696243,-73.23052269615178,-401.6300464718403,-516.5921944275274,-340.5198340980006,99.01414804020109,-102.99826910277375,1.9765058461538467,-0.11608430769230635,-0.21363912426035409,0.8128944615384617,-0.27942960946745576,-0.5597776331360947,-0.25175583431952775,-0.37534428402366915,-0.24342835502958635,6.0184517691781565,-0.18289474430768154,0.655910145229055,-0.719780924419456,-2.010240511440001,-1.74226334693352,-1.5377716985433996,0.7607761179638135,-0.11712381983472758,33.713778530670425,-1.279286675634735,3.1782613871304375,-4.219157142588753,-11.417746065374342,-8.690843400045924,-8.48436804409274,4.517233115476638,-0.1330365429985656,28.84294871794874,-3.1036324786324783,1.7615055884286646,10.986111111111109,-3.6926775147929005,-11.204018737672584,-4.598496055226827,-2.1168639053254434,-6.7181952662721915,0.013795411740060524,-0.006093604900317735,-0.002036243314728864,0.0032806850155138317,-0.0018624192192352948,-0.0010099434689317,0.0010002123172479654,1.79778809938641E-4,-0.0014547080061508904,34.85172545562133,0.03571501775145254,2.165601490182883,2.177062915680467,-3.93799579959808,-8.626896819828515,-4.992219692019036,-1.3135519838264145,-7.498006207758035,51.099607480434855,-0.46438391435662724,4.110301191521874,-1.4082792826183035,-7.577925405129061,-10.542697845459742,-8.305361807268307,3.3004716013400364,-5.722126061265208,0.0760194556213018,-0.004464781065088705,-0.004855434642280775,0.01563258579881657,-0.005272256782404826,-0.011424033329308057,-0.006140386202915311,-0.012511476134122306,-0.013523797501643686,0.23147891419915986,-0.007034413242603136,0.014907048755205795,-0.013841940854220306,-0.03792906625358493,-0.03555639483537796,-0.037506626793741456,0.025359203932127115,-0.006506878879707088,1.2966837896411703,-0.049203333678259034,0.07223321334387357,-0.08113763735747602,-0.2154291710447989,-0.1773641510213454,-0.20693580595348146,0.15057443718255462,-0.007390919055475866,1.109344181459567,-0.119370479947403,0.040034217918833284,0.2112713675213675,-0.06967316065646982,-0.2286534436259711,-0.11215844037138602,-0.07056213017751478,-0.3732330703484551,-0.441712434187267,-0.14760293879564415,0.23780986586917474,-0.13500280052004623,-0.07320864994546869,0.0725032594963039,0.013031782836650026,-0.10544868348702931,0.0010247704320100446,0.062137568854100655,0.06246643135223374,-0.11299285037157064,-0.2475314122055056,-0.14324167962289017,-0.03768972602228932,-0.21514017196381482,-0.009087817641934563,0.08043704040379637,-0.02755949315574506,-0.1482971353161669,-0.2063166111304545,-0.16253279069605936,0.06458898148295424,-0.11197984374843016,-0.05873208415659328,-0.06387094728050392,0.20563927577555663,-0.06935404547842434,-0.150277757660065,-0.08077387759133968,-0.16458255366164976,-0.17789916266980096,-0.030389002242125894,0.06439916485170682,-0.059797847687807,-0.16385538347977352,-0.153605329273257,-0.16203042477325386,0.10955297600155736,-0.0281100285190931,-0.037945514605280145,0.055706112716857964,-0.06257318708359047,-0.16613855495518637,-0.1367828860345568,-0.15958848842457307,0.11612271116940769,-0.005699862306076292,-0.10760454865355398,0.036088184882495315,0.19044708671333832,-0.06280572055175938,-0.206115872285129,-0.10110337462970137,-0.06360706745193904,-0.3364447901618697,1.351340659281828,1.0463741779116822,0.6775133899681713,1.0761498000601457,1.0873591225637755,0.8992170799253275,1.1668468393530715,1.2303976896057227,0.9795834761402098,0.9145245874677874,0.9069118340343435,1.069806125790502,1.2065503897434366,1.0870841606026054,1.0250148384380073,1.1661523833229934,1.1266463159520959,0.9494922948562196,1.0327149936794922,1.1227851335711536,1.1468041991252935,1.0739672778380718,0.7770870118924151,0.9545593642052314,0.9509652932198602,1.0217002873220467,0.7446522954883547,1.005424955232898,1.1596913508524287,1.0197393221119941,1.4076035606373365,1.2471306957719177,1.2271611046087312,0.9999634503895551,1.086579948752274,1.1463900447177102,1.0923344753122064,1.0487074936631706,0.6855754884918853,0.8192182540350484,1.2513031135252273,1.0165920622753233,1.0940702962234954,1.149921815264745,1.0769394853377072,1.039877082349576,0.6768142954391569,0.7882851485845398,1.0019631810941947,0.6829041610684009,0.7577230803422595,1.0032735992328978,1.2134190269062386,1.0420534530937033,1.286902248397969,1.9742934400118517,55.544858474748985,28.0224292373745,41.02816188187727,55.96152514141566,4.663460428451305,28.022429237378375,0.5000000000000142,0.3423372863283863,0.02852810719403219,-1.2863505726934574,111.03811902071713,9.25317658505976,5.651848268352111,55.557217300839476,28.02787422951842,41.03386616933087,55.97265993267062,4.664388327722552,28.027874229522276,0.49853115819736615,0.342071359436846,0.02850594661973717,-1.287283092432598,111.10274790210858,9.258562325175715,5.652546515918462,66.8937304606292,33.04787075225658,46.5891517933885,66.4947359825712,5.541227998547599,33.0478707522566,-0.7979889561160505,0.06577691567979049,0.005481409639982541,-3.265783593287568,92.64444291293623,7.720370242744686,5.434522765895336,55.570189395106084,28.033589497771978,41.03985421056127,55.98434739547098,4.665362282955915,28.033589497775807,0.4969896004378711,0.34179219383844234,0.028482682819870195,-1.2882628163412293,111.17115663280971,9.264263052734142,5.653285158446967,79.47599341197477,38.65570244164823,53.91653890433972,78.39369914763562,6.532808262302969,38.65570244164823,-2.1645885286783155,0.3178371979636073,0.026486433163633943,-1.375459180062611,103.48786442870446,8.623988702392039,5.56734522472117,56.84542433669674,28.59584635422666,41.63203826182286,57.133981313160554,4.7611651094300464,28.59584635422879,0.34626837175657954,0.3141092966092028,0.026175774717433566,-1.3896171303190197,122.02061038589324,10.168384198824436,5.765027961665038,58.00361770026451,29.439288748553054,45.010590582331275,58.7042917828204,4.892024315235034,29.439288748554127,1.0457142857142827,0.5587160569853697,0.04655967141544748,-0.6985366596290622,76.73310003447416,6.394425002872847,5.208399800676319,0,11.996249475411334,15.998260524598182,-0.37500470074523273,0.10563136350441592,4.848268952093925,8.77763300947326,12.0,26.0,23.0,20.0,6.0,3.0,0.0,0.0,0.0,6.0,17.220898,3.8395778088166796,3.268735388480518,2.9604577638000507,2.7607937495495394,2.4754744363740437,2.1691196109557467,1.7207009275582403,1.332125130657187,1.9657354014667372,1.692709662214131,1.4183417170096115,1.2057083993453703,0.9939683670510152,0.8264465514605334,0.6204832430823906,0.4107577272999546,3.8176463494017194,3.2695572222308598,2.8784897324935366,2.725087576619729,2.5001766502550917,2.1620148907268275,1.564320445387877,1.3936618434713202,1.9574275908407839,1.6426783473194566,1.3832306740649865,1.1466428060216391,0.9267179962856896,0.823473723640122,0.5032048414875991,0.34046879131571284,3.8848688631379296,3.4233634834791737,3.126450546133014,2.9095030011175003,2.6744350863384483,2.4756212688009054,2.02815505671988,1.8463429640569378,1.864775503776999,1.4288758518784461,1.0620897197106838,0.8837213174609809,0.6990474337119169,0.44861514564424976,0.0072663376789265585,0.1834546862962166,3.8163885418238106,3.2853046601176814,2.8699410023552585,2.732588030459556,2.5269225356531253,2.189957161382693,1.5794367461528354,1.4079486186601926,1.9544124826122833,1.6097382473032684,1.3616254780860118,1.1200728510234292,0.8839939184702442,0.8014603046459406,0.4287492762114866,0.2815185627018179,3.8985069488840827,3.4831574557972202,3.181487220253239,2.9624867490463207,2.7487387043286136,2.5710432029634687,2.1453584876648613,2.0005108215149647,1.8496434842355693,1.3704352156271924,1.0019154343084316,0.8262718636262111,0.6280868793176201,0.35423142208763037,0.1604700168871137,0.31013503471906123,4.196279702693598,3.6515145875506776,3.3294622738827515,3.157728758065027,2.68662273421721,2.5197879012545945,2.0982256172664604,1.6055785621609768,1.893167655787082,1.5512059625314893,1.1107860047514477,0.9779131172790464,0.7709168843820082,0.5375554124517078,0.26225913277964746,0.16277298552982314,0,0,0,5,1,1,2,0,0,0.0,0.0,0.0,0.06804138174397717,0.1642664266089148,0.0,0.0,0.0,0.024056261216234408,0.0375895600252725,0.6064930722941141,0.0,0.11785113019775793,0.0,0.24132641773342717,0.0,0.015214515486254614,0.0,1.4539357731885998,2.0070187369423045,2.3930959268361143,0.4599495456159625,0.5725319744455185,0.5623505505422307,8.974691494688164,5.774386907679233,4.613364898006814,3.6923781960533324,2.752080102686553,1.9743082556536005,1.0936612324138342,0.6254452556214225,0.7478909578906804,0.4811989089732694,0.3075576598671209,0.2051321220029629,0.13760400513432763,0.08974128434789093,0.06433301367140201,0.05212043796845187,7.501726255905794,4.13467327693818,2.7562011841503082,1.7828087004125392,1.166216806191675,0.7016639003205909,0.3369740718058759,0.17452425151889983,0.6251438546588162,0.344556106411515,0.18374674561002055,0.09904492780069662,0.05831084030958374,0.03189381365093595,0.019822004223875055,0.014543687626574986,15.22239283533483,25.876183539694097,24.776470588235302,25.119999999999994,16.550360479041913,197.73491137724554,0.5854766475128781,0.9952378284497729,0.9529411764705885,0.9661538461538459,0.6365523261169966,7.605188899124828,2.3533000000000026,48.65380000000003,56.16393783346926,77.11933287140023,112.32787566693851,9.36065630557821,56.16393783346926,0.04614449248163144,0.0038453743734692867,-3.6911731975972963,67.5791113904821,5.631592615873508,5.055958718637896,128,1.0,0.0,2.0,6.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,3.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6182723922902493,0.0,14.260134164777021,7.425697278911565,0.0,3.0802051356572635,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6182723922902493,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5153472222222222,0.0,1.051890589569161,0.0,0.0,1.5153472222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.6846352985638697,0.0,2.129533257747543,0.0,0.0,5.462314814814815,0.0,0.0,0.0,0.0,1.9633824640967505,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.27817932728647,0.0,4.981954837490552,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6182723922902493,0.0,4.981954837490552,0.20588246409675004,0.0,3.0802051356572635,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6182723922902493,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.46652777777777776,0.0,0.29064909297052155,0.0,0.0,0.46652777777777776,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5602966742252455,0.0,1.0244444444444443,0.0,0.0,1.6704629629629628,0.0,0.0,0.0,0.0,0.20588246409675004,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.27817932728647,0.0,4.981954837490552,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6182723922902493,0.0,9.27817932728647,1.9180092592592592,0.0,3.0802051356572635,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6182723922902493,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5376388888888889,0.0,0.42708333333333337,0.0,0.0,0.5376388888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.124338624338624,0.0,1.105088813303099,0.0,0.0,1.9180092592592592,0.0,0.0,0.0,0.0,1.201064814814815,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.27817932728647,0.0,4.981954837490552,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,27.5,2.2916666666666665,0.6182723922902493,9.27817932728647,0.18389739229024937,0.20588246409675004,4.644106101662887,1.4607842025699167,3.2781793272864705,9.768945578231293,1.4607842025699167,3.2781793272864705,9.768945578231293,5.66666,0.47222,0.0,0.02778,0.54359,0.82778,0.43333,0.49792,0.78718,0.11026,0.04567,-0.06458,0.0406,0.57047,0.14382,0.0,0.23529,0.26471,0.0,13.75,1.14583,6.75,0.5625,7.0,0.58333,0.25,0.02083,1.0,0.08333,7.7975,0.64979,15.37705,7.57954,0.63163,3.05209,0.25434,5.77437,2.72228,0.22686,0.13963,0.01164,0.22563,0.0188,0.23076923076923078,12.02,0,2,2,2,1,1,0.4,1.2957378005380122,2.980091412248763,3.997952698660691,4.103909910282363,4.103909910282363,4.180832987205441,33.68918281398832,77.48237671846783,103.94677016517797,106.70165766734144,106.70165766734144,108.70165766734145,0.2756631035043769,0.6340026871841928,0.85054865893308,0.8730906375511093,0.8730906375511093,0.8894557185936758,3.4047019176030804,1.7203483058923297,0.7024870194804018,0.5965298078587296,0.5965298078587296,0.519606730935652,0.26672352194,0.6134423776539505,0.8229658993459489,0.84477685573461,0.84477685573461,0.860611227462336,11.399955941206793,25.438852072452747,29.32048220650001,28.274415491462484,28.274415491462484,29.50479353915478,43.098679421735255,24.763747961955637,18.294433112012744,19.420166176932025,19.420166176932028,17.758357119614423,10.083333333333334,4.888888888888889,2.7777777777777777,3,8,3,2.34,1.3973999999999995,0.14285714285714285,2.8448590323312564,1.6688179349970051,0.0,4.556553777464422,7.678194231821627,0.0,1.6509636244473134,0.0,0.0,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.29500000000000004,0.37199999999999994,0.322,1.112,0.79,6.0,15.0,18.0,20.0,22.0,17.0,12.0,5.0,1.0,0.0,134.0,2.772588722239781,3.2771447329921766,3.7669972333778885,4.210274029229161,4.665206399432151,4.498419816041211,4.2227194537502175,3.5235993631748332,1.8021222562636017,0.0,6.134211161350162,3.435634328358209,0.42857142857142855,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.25,6.0,0.5,0,4.0,7.0,0.75,2.5,1.333333333333334,0.6875,0.5733333333333335,0.2638888888888889,0.12163265306122448,0.0,0.0,0.0,0.0,0.20833333333333334,0.08888888888888893,0.04583333333333333,0.05212121212121213,0.037698412698412696,0.03040816326530612,0.0,0.0,0.0,0.0,0.4632833436404865,35.42073791402558,51.43076313746136,70.84147582805116,5.903456319004264,35.42073791402558,0.1441495329363605,0.012012461078030043,-2.324284914030413,77.07738815270233,6.42311567939186,5.213771949698839,29.46,167.9309235573891,4.584962500721156,4.007333185232471,4.795790545596741,5.616771097666572,6.431331081933479,7.259116128097101,8.081165777725433,8.909910726701899,9.734654613922729,10.563310600888576,89.399383757765,3.2188758248682006,0.0,4.442651256490317,0.0,5.8888779583328805,0.0,7.438971592395862,0.0,9.038958755220563,9.269080866998783,166.099379688,6.3884376803076925,23.427332017981303,1.9522776681651086,5.304497096633202,5.304497096633202,0.0,204.0,15.0,2.4000000000000004,54.0,1.2364732208061933,2.151122181987593,2.9716759473209304,3.736520547552428,4.55507323994246,5.4020793972325905,6.68088679269571,7.692208559059902,8.663176384310797,0.0,107.80151120652896,139.78362390947282,173.20022182955225,168.78688730538883,159.93115025714945,151.42761664934181,134.23758169129232,64.15589087924394,8.802341649748366,0.0,320.388660423306,438.0695192365845,536.1800659742602,593.4996650245631,633.454992603765,634.851417671406,612.9177830678665,578.9131881676632,269.2839606899872,0.0,9.555409112291402,16.378042524586217,22.54235829701997,28.11349305616457,34.11756136458513,40.270426056813356,49.93481298001837,56.690218681899154,58.20323866364225,0.0,2.204861099684161,3.136924404093213,3.9340517622691946,4.543421705449924,5.066283832070009,5.288427784454389,5.3077119756107445,5.70915488370111,3.85176001744768,0.0,177.7747168824533,328.8043738147495,461.97538557343665,589.4479655059921,731.9467629041078,884.9002768223551,1146.5931393123742,1319.7679803144283,1601.9742360586754,0.0,3.9456560248613686,6.0220999746772295,9.020952111937786,9.894216125655818,10.9526262677709,12.652059319199122,15.54666863993477,17.683920920350854,8.663176384310797,0.0,0.490071305934253,0.7084803413142582,0.9036175823391669,1.0451697604523342,1.1670806421253315,1.2502602576414623,1.3047933002608572,1.3717851308694349,0.8871092617534254,0.0,328.9599301235867,330.5722599208104,18.69843950769806,98.62378091844919,-99.10716520367181,-19.635216780349424,230.33614920513747,429.6794251244822,38.33365628804748,0.7693462627982256,0.7731170561086032,0.043730476687545775,0.2306537372017744,-0.2317842393063672,-0.04592133954892187,140.65790770637201,141.34731366449256,7.995148155396554,42.169922242107226,-42.37660948864212,-8.395698858056662,0.21684321955791885,0.35600292169518616,5.051258026874946,10.858396714056155,354.5366176641654,73.04709337787043,0.8291630586210774,0.17083694137892252,971.6300325286487,31.17098061544822,9.904524791232387,1115.1335262811353,33.393615052598534,10.369925213599974,1804.5675760521576,42.48020216585789,12.174684529972964,2.02781479063648,2.02781479063648,1211.5454383877868,1056.8270940005302,222.79505333519228,1.14639891924192,5.437936885272908,4.743494427636809,4.990500362068827,5.275441421796449,9.6747509709221,0.833922547400318,4.795403168993694,4.396976383888182,6.303919663183165,12.997804348575142,6.254192560390995,9.34649945902957,6.330966185144265,13.091367952269954,6.152847837073475,4.569760768005263,9.31209245071064,9.481412449863692,3.8739725826399667,1.4137320912166818,2.6762445046229533,1.8595993504826906,1.4189784224796573,0.07113566871522137,2.5452588991089682E-5,2.648402930061792E-30,5.315107584958039E-77,2.057386872677673E-145,1.5360161220994752E-235,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.42832680757457875,4.604965973843616,0.5201497431943157,4.998647193282353,1.397681176573767,4.170179217652453,2.7484031110049236,2.4176937454338314,1.0020899747056335,1.549011899707403,1.710703458783377,0.5403088145849627,1.217399737984145,0.10130786850034196,1.125404051275619,0.047323870107501116,0.06004377194972017,5.010143311903226E-4,1.79264665402443E-7,1.8652918383846147E-32,3.743473731214711E-79,1.4490343967093298E-147,1.0818287140742925E-237,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2277929558992444,4.217951711698455,1.3212967180038118,5.605416570562528,2.0062014509251305,3.5701249887314774,2.58052044967262,3.9117190088991025,1.5693684813185633,1.5230576035121128,2.8131413471430013,1.5624398787994225,1.1893501270450932,0.24614345705805016,1.3599544769483511,0.22438759125790242,0.23273258038487704,0.005220955615076836,1.8680760272769752E-6,1.9437779103534424E-31,3.9009882512674983E-78,1.5100055625103483E-146,1.1273489294976934E-236,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.815061995752398,4.604293056879996,6.652239264519975,12.729354033766027,5.902869913159629,9.537569164269568,6.856497947139837,13.017242148773649,5.847666614629065,4.801497912729657,10.18710283550566,8.650039168303529,3.962502910103632,1.3285812009058635,2.7941755610632035,1.680497820964674,1.298746476193655,0.06338060013123041,2.267779855429421E-5,2.3596793300504462E-30,4.735665167432511E-77,1.8330946633038816E-145,1.3685627110591543E-235,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7228880542283163,4.070891255930035,1.771896033426581,6.265361627118876,2.5411951244009052,3.706468687743756,2.6883287173972863,4.93232980895769,2.0947723909174694,1.6729931519479058,3.3265766666124557,2.5025124265142513,1.3429663980570228,0.3768628812712415,1.4839974403684055,0.403182187262227,0.3823652524268415,0.01134061325463712,4.057710755945377E-6,4.222145361774809E-31,8.473467757657667E-78,3.279933858723583E-146,2.4487525187046646E-236,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.024915652481468,4.52836448632396,8.479279536485395,16.317936403734,7.907464241357179,11.93376156248911,7.80452188286273,16.894144869457158,8.00048020173513,5.804375843819207,12.172502099432414,12.882249474780366,4.964818808607146,1.9084570250148665,3.230365217025614,2.600485233443722,1.906198138140636,0.103744687379115,3.712020896915738E-5,3.862446772422171E-30,7.751584890490507E-77,3.0005053973460956E-145,2.2401351568709803E-235,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.9295016567836907,4.632357633669296,4.452731622875293,9.629061840162144,3.6530773806319403,10.379935209364131,8.17312259034379,9.600112793628032,3.1980013288957863,4.849551126590786,10.450800433849667,3.8682907218238323,3.2630161369489312,0.6805797180581891,3.001103949100838,0.7115909736801249,0.6388859154354856,0.02195545330717021,7.855737342928915E-6,8.174083117474668E-31,1.640465303999395E-77,6.3499594835730655E-146,4.740790500307023E-236,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.468976084140861,1.5937619786294994,0.45374995441379784,0.8053045912573075,0.15154887981855344,0.5673224804420707,0.39774836265062,0.34586513740574815,10.516488017184159,18.063499018086286,34.70449160164413,0.7079568868859613,1.3109359804984388,6.459242039783955,1.1480824171521649,0.21264596681177736,0.8259931546759249,0.14681416360164704,0.33490171756330045,0.20359819383882952,0.06677024459957524,7.819970423747898,9.033409078002103,18.430307174474226,0.7389897320138874,0.6052701560017052,6.9409695604699495,1.261322361275943,0.2910272342349862,0.8172269795822065,0.14850759027320162,0.3822279160485023,0.2481856868887421,0.1405043004977174,8.49331915598088,11.141890447930079,22.183094867821474,0.7258404693733098,0.7709179034349618,8.421924934553756,1.5841377266558192,0.4460967390954096,0.8057593280014473,0.15156080824882898,0.5616160323752931,0.39283592637912573,0.33195501816878065,10.452159400304986,17.805160944239873,34.20891509099498,0.7086389920021711,1.2864069769231996,7.281796811001106,1.3356283148018746,0.33147613374195384,0.8137084765835706,0.14925053658149237,0.4196406168707759,0.27884321595109174,0.1851036581697359,8.948901259544936,12.582244766919013,24.75500799076133,0.7205627148753561,0.8835874909916035,8.702217685770377,1.6445295392541082,0.4775648453037653,0.8039511083226261,0.15192924303818942,0.5989897320323242,0.4236255728066128,0.38277038974449196,10.82431207032825,19.25229677918489,36.911065158865554,0.7059266624839392,1.4053856945834289,8.4292944452026,1.5899011023082914,0.44468385237643404,0.8055611234675896,0.15194184121860305,0.5625870742067233,0.3958825934728182,0.330501415418394,10.463879399887325,17.85711900388873,34.28053778998963,0.7083416852013843,1.2889710830979355 +UMLCN0449,L,"2,6-dimethoxyphenol",COC1=C(C(=CC=C1)OC)O,Aromatics,Ethers,C8H10O3,McCormick (2015),Unknown,PubChem,,26,0,-0.15690000000000012,0.02461761000000004,45.848299999999995,23.153929999999985,6,6,21,11,10,0,8,0,3,0,0,0.0,0.0,0.0,0.0,0.0,1932.1776109999987,1951.495454999999,2494.7048539999996,2878.554127,2121.657117999999,1031.9481559999986,351.0916090000003,78.738912,9.144576,4348.144989197009,5169.392098835217,6686.252791381577,7046.284257929004,6127.267133564367,4389.807917025761,2237.580294068374,874.9221648086931,279.75369987837234,167.56391600000003,168.942372,267.48864800000007,271.71646,292.46368000000007,295.1367680000001,208.64861200000016,83.01657599999999,60.46617599999999,28.686941048489988,33.986766776,44.018335515094016,46.393130121698015,43.306066710849024,35.556548382792016,20.68583015903699,9.348943289094002,4.001516143641,3419.8852263699905,3090.769984727251,5226.884225522695,5062.442560146399,5664.69707098375,6309.358386588643,4866.809874285337,2028.241198422894,1664.258868218241,98.83333333333334,79.8888888888889,112.44444444444446,149.33333333333337,138.91666666666666,111.0,54.0,18.0,9.0,92.0084576666666,92.92835499999995,75.59711678787878,87.22891293939394,58.934919944444424,27.156530421052594,12.538986035714297,6.561576,1.016064,207.05452329509566,246.16152851596274,202.61372095095686,213.52376539178798,170.20186482123242,115.52126097436212,79.91358193101335,72.91018040072443,31.08374443093026,7.9792340952380965,8.044874857142858,8.105716606060609,8.23383212121212,8.123991111111113,7.766757052631581,7.451736142857149,6.918047999999999,6.718463999999999,1.3660448118328565,1.6184174655238097,1.333888955002849,1.405852427930243,1.202946297523584,0.9356986416524214,0.7387796485370354,0.7790786074245002,0.444612904849,162.85167744619002,147.17952308225006,158.39043107644528,153.40735030746663,157.35269641621528,166.0357470154906,173.81463836733346,169.0200998685745,184.917652024249,4.7063492063492065,3.8042328042328046,3.407407407407408,4.525252525252526,3.858796296296296,2.9210526315789473,1.9285714285714286,1.5,1.0,0.49196539383851706,-0.19678214161625673,-0.2081461615266919,0.29801928154176593,-0.053707002151647955,-0.135872383334328,-0.009306436184782515,0.034325851378378146,0.02548629497430463,800.4229812380951,11.989637142856694,121.68181243537379,101.6554913877546,-486.4633535986397,-550.9061982403628,-22.359644650792788,63.207050435374555,360.98371446938825,1016.2085270932133,-52.50560935307131,425.485129083291,-159.464027411529,-760.9265979493719,-530.8714249730245,167.0852222166351,-40.54376695394925,443.6368117944121,2.6437969523809532,-0.29341371428571256,-0.98905540136054,1.0809232653061265,-0.3074635374149623,-1.1464261043083908,-0.4015340317460356,0.33672974149659396,0.3983413061224445,4.721168893970954,-0.6960890039999913,1.852688930183459,-1.1310582759530123,-3.069401763081675,-1.4515046801059186,1.1663739069861958,-0.4823370681722618,1.4507435071577282,27.180009029018553,-4.745032166035671,9.479979303863395,-6.366585848589712,-16.187079854908518,-6.757013897927809,6.885787766651236,-2.995679438385192,7.0956196208230065,30.071428571428573,-5.158730158730158,-5.6916099773242586,15.514739229024949,-6.1899092970521545,-21.526077097505667,-0.8888888888888844,3.0068027210884356,5.89795918367347,0.02342692351611986,-0.009370578172202701,-0.006307459440202785,0.009030887319447452,-0.0014918611708791098,-0.0035755890351138945,-3.3237272088508984E-4,0.0028604876148648453,0.0028318105527005144,38.11538005895691,0.5709351020407949,3.6873276495567815,3.0804694359925633,-13.512870933295547,-14.497531532641124,-0.7985587375283139,5.267254202947879,40.1093016077098,48.39088224253397,-2.5002671120510147,12.893488760099727,-4.832243254894818,-21.136849943038108,-13.970300657184856,5.9673293648798245,-3.3786472461624375,49.29297908826801,0.1258950929705216,-0.01397208163265298,-0.029971375798804243,0.032755250463822015,-0.008540653817082286,-0.030169108008115546,-0.014340501133786985,0.02806081179138283,0.04426014512471606,0.22481756637956923,-0.03314709542857101,0.056142088793438155,-0.034274493210697345,-0.08526116008560208,-0.0381974915817347,0.041656210963792704,-0.040194755681021814,0.16119372301752535,1.2942861442389788,-0.22595391266836526,0.2872721001170726,-0.19292684389665793,-0.4496411070807922,-0.17781615520862656,0.24592099166611558,-0.249639953198766,0.7884021800914451,1.4319727891156464,-0.24565381708238848,-0.17247302961588662,0.470143613000756,-0.1719419249181154,-0.5664757130922544,-0.031746031746031585,0.2505668934240363,0.6553287981859411,-0.39999183698853535,-0.2692397674779054,0.38549181727738935,-0.06368148040661734,-0.1526273406174551,-0.014187638451817502,0.1221025719786283,0.120878464931683,0.014979126566694912,0.09674120115956392,0.08081959123135307,-0.3545254150002919,-0.38035909677973373,-0.020951089462917658,0.13819235685963213,1.0523127814984055,-0.05166814482777426,0.2664445896125196,-0.09985854836611013,-0.43679406044098784,-0.2886969612822109,0.12331515955778011,-0.0698199141984793,1.0186418764016898,-0.11098193982766708,-0.23806627479771636,0.26017892906669265,-0.06783944962082109,-0.23963688572976916,-0.1139083406304392,0.22289043305248826,0.35156370340089105,-0.147439970827757,0.24972287396195295,-0.15245469365516676,-0.3792459880188009,-0.16990439046584208,0.18528895065727524,-0.17878832303148084,0.7169979001790946,-0.17457802022691268,0.2219540875066575,-0.14906042589994353,-0.34740471346479146,-0.1373855047433733,0.19000511808052578,-0.19287848696360002,0.6091405548925304,-0.17154922143045653,-0.12044434847285193,0.3283188176299816,-0.12007345825635612,-0.3955911155561111,-0.02216943784639735,0.17498020585906573,0.45764053840063346,1.3102594038960098,1.3649552188889282,0.8021743773909003,1.2246543273553543,1.1254225613037492,0.8602111700423025,0.002479163785813304,0.0,0.8292311361032778,0.8674456815456104,0.8479642163831256,1.2938143208125645,1.3520815560867518,1.033787586736865,0.7562627000834921,0.0,1.0692581169876334,0.6808634494578192,1.051254756020353,1.3531638156933266,1.2034125391729389,0.8089252518461753,1.1076831547713066,0.0,0.9840839300820877,1.3616618978683375,0.8635990763225656,1.1914669406929452,1.2146302637128408,0.9397728404184048,0.044852158518909314,0.0,1.295403520865866,0.7493778234727517,1.1968688438254118,1.3531763664264433,1.0468298077877134,0.6173622358579683,1.065863462472427,0.0,1.3489873219966304,0.7985437376816557,1.225181398722005,1.3456435416186237,1.0075027223091961,0.5747082096202947,1.0056863267801497,0.0,1.0169789742236297,0.9298847541127826,0.7669729759991041,1.3091258320870354,1.799808309372005,0.5403800475059383,0.166270783847981,0.0,39.30139859038842,20.02569929519421,27.81298397927195,39.91503495402479,3.6286395412749806,20.025699306446846,0.75,1.2410620864051602E-16,1.1282382603683275E-17,-40.28793334895818,5000019.990520883,454547.2718655348,16.967447715344015,39.32309582992394,20.03544628361001,27.825954624038328,39.93492952407529,3.6304481385522984,20.035446294748876,0.7477967372960741,6.838871224237316E-18,6.21715565839756E-19,-43.47629987973019,5000019.995558585,454547.27232350776,16.967447716452305,58.74342743736605,28.773222001595993,39.65496373609419,58.19934405819602,5.290849459836002,28.773222001597397,-1.1969834341740615,4.196888905571856E-16,3.815353550519869E-17,-38.947719771251556,5000025.29551636,454547.7541378509,16.967448882437736,39.3458682954672,20.045676348062006,27.83956885595699,39.955810077822775,3.6323463707111614,20.04567635908271,0.7454844006568102,1.3937058938298576E-16,1.2670053580271432E-17,-40.160334695647975,5000020.0008491175,454547.2728044652,16.96744771761622,79.50630690193273,38.12971205445764,52.55500513315189,78.03045108692478,7.093677371538618,38.12971205445764,-3.2468827930174484,4.3237982638721917E-16,3.9307256944292653E-17,-38.914949968614316,5000031.713901578,454548.33762741624,16.967450294474432,41.57748518754046,21.048443872587683,29.177601280985296,42.002450916514476,3.8184046287740436,21.048443876470966,0.5194025576349048,6.067072008055939E-16,5.515520007323581E-17,-38.542333907228105,5000020.534323531,454547.3213021392,16.967447834980113,36.851194180411895,18.741446714078936,27.043685196773872,37.55736301158072,3.4143057283255205,18.741446765684675,1.55357142857142,2.862654354844859E-16,2.6024130498589626E-17,-39.368573417127095,5000018.2069685375,454547.1097244125,16.967447322964,0,11.996291878041596,15.99870337028466,-0.37493231965511753,0.13279813207908095,4.778901426608822,7.853748737217454,11.0,21.0,18.0,15.0,5.0,3.0,0.0,0.0,0.0,6.0,14.764069999999998,3.831710730488198,3.0793958426822305,2.896413005322785,2.6737280793638325,2.406394104389229,1.8094675184525841,1.2572015047412572,0.9183996919566239,1.8984469999315585,1.4379046911214797,1.3959264724566125,0.9670588278396322,0.9235029272343924,0.4144786623225584,0.19091104239403325,0.08392307051869106,3.7839590069938382,2.943874613247922,2.8272096808158276,2.5920215964525264,2.4458894790810093,1.5651656254212083,1.1052475828770907,0.8648547363265174,1.921479342995235,1.4260227746527097,1.3446011508685325,1.0172489277515486,0.8665472553409328,0.40995085635434864,0.04534681609904605,0.05418526299035349,3.867311139393194,3.2057357328745564,3.0659595250608107,2.8330693432523195,2.616580703317539,2.063686854997021,1.5755486786946,1.3931031674637258,1.8197447589444762,1.10101685335566,1.0197867051375777,0.7499602762482379,0.6440421757067845,0.1259366295802515,0.5332475773280851,0.5656935500096903,3.774377184801973,2.919921002519944,2.8214352608287028,2.593636703521571,2.4757541369602905,1.5047985416998906,1.0879663605121892,0.9504698645919437,1.9341052410966713,1.4231078949303746,1.3123014326581126,1.037059985589957,0.8265945660369137,0.4033584827052811,0.04485497295091593,0.058125634479032864,3.8710946378620252,3.240449403751216,3.1305224585732976,2.8656628533669894,2.6925226194390666,2.127410425958065,1.658889041532672,1.6029744649283755,1.8124877377366446,1.0542414712743569,0.9519162583711408,0.7085247355572493,0.5737680573734787,0.2081862658405137,0.6608241830442588,0.7426598333351475,4.120727890678263,3.572662154298615,3.3225341350705984,3.1062468863214896,2.5205462846901856,2.3036809497638204,1.6204312210040632,1.3372407679028937,1.8283527956694412,1.164521417232236,1.1145175763780641,0.7572702927047549,0.7563203954761486,0.12867462991468237,0.24224043237852833,0.41383562472770324,0,0,0,6,0,0,0,0,0,0.0,0.0,0.0,0.06804138174397717,0.1642664266089148,0.0,0.0,0.0,0.024056261216234408,0.030400142105758032,0.5257834230632086,0.0,0.19245008972987526,0.0,0.17375282963525268,0.0,0.026352313834736494,0.0,1.6391500707438749,2.4216186971503038,2.6646662206717053,0.4077159736056411,0.4786964681482134,0.4091593953634333,8.267584713501616,5.291223660084841,4.126676307878857,3.6857247997755973,2.7047304659418487,1.6202752950685628,0.7864328933362672,0.40652626479257087,0.7515986103183288,0.4810203327349855,0.2947625934199184,0.20476248887642207,0.14235423504957098,0.09001529417047571,0.06553607444468894,0.05081578309907136,6.495760983996562,3.192368604997861,2.011140051499311,1.4018121032164241,0.8316314141328981,0.439834768423892,0.1629567722215021,0.06410532215498774,0.5905237258178693,0.29021532772707825,0.14365286082137937,0.07787845017869023,0.04377007442804727,0.024435264912438446,0.013579731018458508,0.008013165269373467,12.853536332179933,21.431172614712306,20.674509803921573,21.0,13.43349101796407,159.83292215568864,0.6120731586752349,1.0205320292720146,0.9845004668534083,1.0,0.6396900484744795,7.611091531223268,1.9101900000000016,43.27180000000002,49.66598993216992,66.36620615698106,99.33197986433986,9.030179987667259,49.66598993216992,3.8767437179049115E-16,3.524312470822647E-17,-39.03500252805773,5000018.863112938,454547.1693739034,16.967447467315232,97,1.0,0.0,3.0,6.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6420833333333333,0.0,19.053703703703704,5.957222222222223,0.0,6.23778013117284,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6420833333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7290277777777776,0.0,0.0,0.0,0.0,1.7290277777777776,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.989074074074074,0.0,0.0,0.0,0.0,5.076481481481482,0.0,0.0,0.0,0.0,0.8807407407407413,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.338796296296296,0.0,9.714907407407408,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6420833333333333,0.0,4.857453703703704,0.03935185185185186,0.0,3.11889006558642,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6420833333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.55375,0.0,0.0,0.0,0.0,0.55375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.494537037037037,0.0,0.0,0.0,0.0,1.6645370370370371,0.0,0.0,0.0,0.0,0.03935185185185186,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.338796296296296,0.0,4.857453703703704,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6420833333333333,0.0,9.338796296296296,1.7474074074074073,0.0,3.11889006558642,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6420833333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5876388888888888,0.0,0.0,0.0,0.0,0.5876388888888888,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.494537037037037,0.0,0.0,0.0,0.0,1.7474074074074073,0.0,0.0,0.0,0.0,0.4206944444444447,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.338796296296296,0.0,4.857453703703704,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,28.0,2.5454545454545454,0.6420833333333333,9.338796296296296,0.24430555555555544,0.03935185185185186,2.9852961111111114,1.6273148148148149,3.3387962962962967,12.107407407407408,1.6273148148148149,3.3387962962962967,12.107407407407408,4.99999,0.45454,0.0,0.04546,0.61905,0.90909,0.43333,0.54815,0.85833,0.18571,0.0709,-0.11482,0.05076,0.5,0.21429,0.0,0.26667,0.3,0.0,14.25,1.29545,6.75,0.61364,7.5,0.68182,0.75,0.06818,1.5,0.13636,5.44578,0.49507,13.82652,8.38074,0.76189,2.05152,0.1865,5.29121,3.23969,0.29452,0.12279,0.01116,0.20879,0.01898,0.2857142857142857,11.03,0,3,3,3,1,1,0.25,1.4411665441579462,2.784010874644601,3.0463811129458835,3.368042422572716,3.4632805178108104,3.3680424225727155,30.26449742731687,58.46422836753662,63.97400337186355,70.72889087402703,72.72889087402702,70.72889087402703,0.3281107455221679,0.6338364482053579,0.6935703456100897,0.7668030559690182,0.7884859367972993,0.7668030559690181,2.9511508786208145,1.6083065481341596,1.3459363098328772,1.0242750002060448,0.9290369049679503,1.0242750002060452,0.3143246087468041,0.607204720694381,0.6644287957571575,0.7345845079524566,0.7553563452844118,0.7345845079524564,13.293349096769116,23.150629052918127,26.299071912533517,28.71699784515372,29.19344924058229,27.670124038677532,40.18182750115863,29.667901693115848,25.493840444758913,22.411924952791537,21.728405689140466,23.551123725543327,9.090909090909092,4.13265306122449,1.9753086419753085,2,9,0,2.01,1.1743000000000003,0.16666666666666669,1.5326188647871062,2.080083823051904,0.0,2.381101577952299,4.585756412345815,0.0,2.381101577952299,0.0,0.0,0.0,0.6666666666666667,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.04400000000000004,0.2839999999999999,0.19999999999999996,1.359,0.735,5.255,14.0,18.0,19.0,18.0,12.0,8.0,3.0,0.0,0.0,114.0,2.70805020110221,3.2386784521643803,3.7784916128036232,4.187759006861526,4.553218780355992,4.30575285731789,4.0375537278753555,3.056356895370426,0.0,0.0,5.994273099430021,3.5098684210526314,0.5,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.18181818181818182,5.0,0.45454545454545453,0,3.0,6.0,1.0,2.0,1.5555555555555562,0.9375,0.4933333333333335,0.18055555555555555,0.0,0.0,0.0,0.0,0.0,0.18181818181818182,0.11111111111111116,0.0625,0.049333333333333354,0.04513888888888889,0.0,0.0,0.0,0.0,0.0,0.4499015151515152,28.24181638795388,39.53331901008306,56.483632775907765,5.134875706900706,28.241816387956472,1.966868207644017E-16,1.7880620069491065E-17,-39.781410847693536,5000019.453694147,454547.22306310426,16.9674475972426,38.69,142.1291810062168,4.459431618637298,3.9318256327243257,4.74493212836325,5.572154032177765,6.401917196727186,7.234898420314831,8.068089626278244,8.902047345620277,9.735956081214809,10.570059724910275,87.16188018833097,3.1354942159291497,0.0,4.3694478524670215,0.0,5.849324779946859,0.0,7.43543801981455,0.0,9.06681636189014,9.28859686994195,154.06299418,7.336333056190476,21.41652441323481,1.9469567648395283,8.070421493277554,8.070421493277554,0.0,150.0,15.0,1.215,50.0,1.2338239876648107,2.136143687146048,3.00794243272298,3.7583822707166297,4.330388000409649,5.169044436948384,6.47218575336115,7.238623262335898,0.0,0.0,124.9210834077978,174.40219473382493,274.7428924990751,238.97172761378775,134.23530926314086,74.3909634365327,44.84046824256166,7.354904506422063,0.0,0.0,320.47074797620195,458.47898184737846,656.8255445972962,660.3545591727479,533.3440716392043,441.3538102990976,489.78429167938185,225.00351551823576,0.0,0.0,10.007609202646501,17.423441379689777,24.909292023496025,30.865226382387632,33.95412126769174,38.98550725140893,44.86028668041786,48.63242979756629,0.0,0.0,2.066260809698485,2.978412697206673,4.26017849802036,4.571881460369706,4.2096545185872944,3.9567435211702433,5.185447573887741,3.2183853157747087,0.0,0.0,180.34199301186857,334.89300919248535,459.5675741608315,592.4744189740481,713.4159759246924,895.2525159009995,1087.1274789889137,1338.5492175592635,0.0,0.0,4.859911449708657,7.5736105773724525,13.94702495151849,15.123147887404647,13.15156392114458,10.512408699385743,9.92221104383555,7.238623262335898,0.0,0.0,0.49720459306145603,0.7369913166954737,1.0788345412889624,1.1667464266711283,1.0523967687852398,0.9710150646622376,1.137475301113459,0.7412350220631961,0.0,0.0,281.87085963831714,327.6190717356547,18.919748417620003,96.97242401128997,-112.7112450691102,-24.762552740761556,184.89843562702717,440.3303168047649,43.68230115838156,0.7440302410086279,0.8647878578696679,0.0499408310353442,0.2559697589913722,-0.29751416993143015,-0.06536357858112246,106.78488203051756,124.11628492257161,7.16761961635562,36.7373515358991,-42.6998981862173,-9.381126791856687,0.18755420959425215,0.3061142741255361,3.10351429172219,9.17111190452393,295.19978641948825,83.64349723011881,0.7792134615022478,0.22078653849775215,985.4637625488531,31.392097135248118,9.951309180357754,1090.219111974189,33.0184662268584,10.292114214123062,1826.6073758476991,42.738827497343664,12.224048631231717,1.651334767161487,1.651334767161487,776.3702632554928,598.6871499238465,226.56904907092053,1.296787918956082,3.4266386624259244,2.6424048314580064,4.3888320989374625,4.2433655849418574,8.255208581617937,0.945438924921443,3.679804414684247,2.005731783802897,6.900891447394065,11.100693114155062,5.402205861392878,7.428470569824244,6.167558464979956,10.099978492700629,4.86035808949925,5.273726997768909,2.170335827279024,6.074535072977995,4.188866292220179,1.0053052344911964,0.6116536245837407,0.002497952578239899,8.110841595391568E-25,5.0795302956655566E-68,6.1356007936233354E-133,1.4294420045611044E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3347066523908895,2.3814438440152252,0.6935419605536133,3.0969681480310447,1.3617528947240745,5.895100195915094,4.571247720706897,1.560509822662406,0.3329477072128439,1.6483023234164145,0.1688023496516678,0.901931137667509,0.18224353918700167,0.08127368721116725,0.004307926489976574,1.7593284254348628E-5,5.7125320541619206E-27,3.5775547201615904E-70,4.321353806863802E-135,1.0067676916857062E-221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9255632800070186,1.6827903433149851,1.4380469141323247,3.166172998147791,1.622707542464796,3.8118843230906863,3.5698700414467184,2.6268863002306055,1.016071976560102,1.5705614926448377,0.3382828973429063,1.2933766818690526,0.6998602749869698,0.2644004995565775,0.04489191545433639,1.8333558642377192E-4,5.952898838973177E-26,3.7280878493271535E-69,4.503183844881877E-134,1.0491295569335407E-220,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.762029112564581,2.3800061216042634,7.996009195031911,11.730135267522483,5.5191178355082915,8.833790416697898,6.863576190346471,10.340779555473597,4.649708610102228,5.302542008388837,2.463362121291908,6.195687299386863,3.837375690714966,0.9467953095807131,0.5449723675721103,0.002225630775216437,7.226613837612814E-25,4.525770043898641E-68,5.466709844568968E-133,1.2736070910441165E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.277455136586779,1.4172956408607378,1.6838604133033488,3.4970548489829096,2.1001522509506474,3.1425787332043105,3.3138789341213046,3.305687542769738,1.5241882071007653,1.7878125102627473,0.39880751592814756,1.5887674583874176,1.1443295842673022,0.39174073472465365,0.09751123912209064,3.982293922285813E-4,1.2930491744046551E-25,8.097904980545602E-69,9.78151705635448E-134,2.27884958930435E-220,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.677668598364922,2.2427982995913,9.627344695251153,14.863331341570762,6.64876416687132,9.193581535033754,7.30120666857931,13.451667173517706,6.320819679290024,6.7935391565002625,3.1619747370972213,8.557363107968317,5.610869021167708,1.2241454371549008,0.8920393272856968,0.003643029073850642,1.182890019722819E-24,7.408017553981601E-68,8.948197124086565E-133,2.0847068224444596E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.145441009839322,3.1367138335909455,5.785988312059974,9.135187462301426,5.378680338282708,13.567290337477491,8.83908585776656,7.929153346948153,2.571680386420164,4.041019716072679,1.653594494775134,3.6788913401608956,1.756618595719278,0.5604573662687129,0.17398147543715373,7.105287333660157E-4,2.307083831578046E-25,1.4448441729893139E-68,1.745237559075082E-133,4.0659683685293636E-220,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.802937391844862,1.8679385768916141,0.2710175540488762,0.7306742875859756,0.23520065731585094,0.5143909298474784,0.38815070008791885,0.43322764560308824,7.941893522785353,12.918472655973089,23.79806925267087,0.5960114313789635,1.3357692755384853,3.7289898424043026,1.3447661439313243,0.15867966674282208,0.7126680746107963,0.2570057680766977,0.21939552662107462,0.20015063994041107,0.06725198772384278,5.232435653078449,5.8197212001752465,11.847874971212189,0.5690021119161944,0.48679815428532847,4.430470690806385,1.4543231490549906,0.19257700274177458,0.7290110815269354,0.23930136677854155,0.3015511673961549,0.23490911645309578,0.18028422660400148,6.07737084260315,7.576612046283143,14.894821240149662,0.593516622290403,0.7167445104532522,5.622878153817491,1.848438855295471,0.27339753910610143,0.726027811458913,0.23867101153786602,0.4836242748512946,0.3799713249998332,0.41924143640379846,7.744714548219063,12.436186142281358,23.022470714732172,0.5890417171883695,1.2828370362549262,4.86782365402968,1.5425567618916585,0.20481067129588815,0.7358553350689977,0.23318400656216823,0.3623089987369358,0.26451495988754453,0.23764394111681336,6.615191087217227,8.821808609466508,16.974901377567914,0.6037830026034967,0.8644678997412938,5.977292874135414,1.9316303944490687,0.2843796956666642,0.7295339742977183,0.23575722793080148,0.5457429674297531,0.4151120997777223,0.47833592843651573,8.193302964251146,13.795057784374851,25.271786132828385,0.5943009614465773,1.4391909956439912,5.652421054217616,1.8714341289253973,0.2676021308596934,0.7254639057136536,0.24019051295603971,0.48829572165224844,0.3895115793124869,0.4139144285847393,7.791457314002706,12.59153335120814,23.21372177633513,0.5881958585704804,1.2917217295494747 +UMLCN0450,L,"4-methyl-2,6-dimethoxyphenol",CC1=CC(=C(C(=C1)OC)O)OC,Aromatics,Ethers,C9H12O3,NREL (2014),IQT,PubChem,,25,0,0.28950000000000037,0.08381025000000021,50.130300000000005,26.247515999999983,6,6,24,12,12,0,9,0,3,0,0,0.0,0.0,0.0,0.0,0.0,2078.4738599999987,2119.9737520000003,2798.388375999999,3237.692769000002,2684.6270569999992,1605.3824349999982,549.7522809999998,100.076256,9.144576,4833.829379808199,5822.382233325583,7741.2744445435455,8519.57027078891,7752.401326652576,6064.375992098098,3757.6109877450053,1527.6807978582276,279.75369987837234,188.54136000000008,190.71815200000003,309.84270399999986,316.06635600000016,377.028572,374.7251559999998,282.56208400000014,224.10432000000014,60.46617599999999,32.36506685818799,39.002755396000005,52.043518539641006,57.76297017200002,55.93950971794304,46.261072622792014,33.653919813094014,18.685814290923,4.001516143641,3916.514886508489,3523.809436243051,6188.348441488342,5864.931254555301,7602.928181221444,7795.334358377292,6118.532260471745,5911.511890932124,1664.258868218241,103.61111111111111,85.88888888888889,122.66666666666669,163.7777777777778,160.25,144.66666666666666,91.0,39.0,9.0,86.60307749999994,88.33223966666668,71.75354810256408,83.01776330769236,55.92973035416665,34.15707308510635,14.858169756756752,3.0326138181818183,1.016064,201.40955749200828,242.5992597218993,198.49421652675758,218.45051976381822,161.50836097192868,129.02927642761912,101.55705372283798,46.29335751085538,31.08374443093026,7.855890000000003,7.946589666666668,7.944684717948714,8.104265538461542,7.854761916666667,7.972875659574464,7.636813081081085,6.791040000000004,6.718463999999999,1.3485444524244994,1.6251148081666669,1.3344491933241283,1.4811017992820517,1.1654064524571466,0.9842781409104684,0.9095654003538922,0.5662367966946363,0.444612904849,163.18812027118705,146.8253931767938,158.67560106380364,150.38285268090516,158.3943371087801,165.85817783781474,165.3657367695066,179.1367239676401,184.917652024249,4.31712962962963,3.5787037037037037,3.1452991452991457,4.1994301994302,3.3385416666666665,3.078014184397163,2.4594594594594597,1.1818181818181819,1.0,0.49069485736228835,-0.19479794625417657,-0.20157560168720373,0.25132241524999877,0.029232228646966153,-0.14872205047669018,-0.08561774505483435,0.07932497484963737,0.025486296045158008,899.7843239999995,15.975927999999428,280.3719279999996,-51.41391900000085,-163.35406300000034,-772.5020450000006,-874.8619910000002,791.892000000001,324.00000000000045,1176.9990095753312,-56.95045992499435,665.4758983634413,-408.31354457261625,-600.0614669329891,-531.3504703140859,-972.0721422038803,902.4641213684313,412.3085594290247,2.726009999999997,-0.23925799999999864,-0.7914222499999974,1.1471797500000032,0.30033200000000126,-1.9989102499999973,-1.1290947500000004,1.0215562499999915,0.3266122499999973,5.4039326810940045,-0.7179258379999897,2.8585842498347542,-2.054919998561237,-3.4425420026979925,-0.6445712021082564,-2.8246816433817545,2.7333168389572333,1.390773255410244,30.85554194500646,-4.840997727562559,14.906700897914389,-11.003060541069127,-19.886276396023014,-1.333775490353526,-13.112885863917647,12.962089565615143,6.88043458289309,31.27314814814815,-4.96759259259259,-2.2609953703703702,12.808449074074078,0.5277777777777797,-22.12056327160494,-17.965084876543212,13.464699074074064,4.876736111111108,0.020445619056762013,-0.008116581093924024,-0.005168605171466762,0.006444164493589712,6.090047634784616E-4,-0.0031642989463125572,-0.0023139931095901177,0.002403787116655678,0.002831810671684223,37.49101349999998,0.6656636666666428,7.189023794871785,-1.3183056153846373,-3.4032096458333405,-16.43621372340427,-23.644918675675683,23.996727272727302,36.00000000000005,49.04162539897214,-2.372935830208098,17.063484573421572,-10.46957806596452,-12.50128056110394,-11.305329155618848,-26.272220059564333,27.34739761722519,45.81206215878052,0.11358374999999987,-0.009969083333333276,-0.02029287820512814,0.029414865384615466,0.006256916666666693,-0.04253000531914888,-0.030516074324324335,0.03095624999999974,0.0362902499999997,0.2251638617122502,-0.029913576583332904,0.07329703204704498,-0.05269025637336506,-0.07171962505620817,-0.013714280895920349,-0.0763427471184258,0.08282778299870404,0.15453036171224935,1.2856475810419359,-0.20170823864843998,0.3822230999465228,-0.2821297574633109,-0.4142974249171461,-0.028378201922415445,-0.3544023206464229,0.39279059289742857,0.7644927314325656,1.3030478395061729,-0.2069830246913579,-0.05797424026590693,0.32842177113010457,0.01099537037037041,-0.4706502823745732,-0.4855428345011679,0.40802118406285043,0.5418595679012342,-0.39698387568458654,-0.25279768527025065,0.3151855894262308,0.029786565121247548,-0.15476660000011216,-0.1131779430677012,0.11756978891087523,0.13850452088647586,0.01775528598784461,0.19175325294611703,-0.03516324292979271,-0.0907740103060522,-0.43840409178066836,-0.6306823013913907,0.6400661127159797,0.9602301095434529,-0.048386157899608116,0.3479388057513119,-0.21348350469199479,-0.25491162781415383,-0.23052517251713678,-0.5357126695094199,0.5576364444437514,0.9341464885407468,-0.08776857018132689,-0.1786600478072626,0.2589707188274335,0.05508637165674403,-0.3744374113299563,-0.2686658463409103,0.27254118656937965,0.3195021294859497,-0.132852476218236,0.32552751356128123,-0.23400849484763658,-0.3185219178194003,-0.060908001806464905,-0.3390541738708877,0.3678555802376245,0.6863017916690937,-0.15689232541080056,0.2973000576384667,-0.21944564095446953,-0.32224804917486355,-0.022073080011099706,-0.27566055105023596,0.30551964526631525,0.5946363083520856,-0.15884529977794218,-0.04449126003530148,0.25204122302567905,0.008438193930421941,-0.3611918673323149,-0.37262088142917166,0.3131283224547471,0.41584011843079177,1.3186739064717632,1.3257838813486067,0.8362017376327276,1.0234219583486468,1.4424169687929436,1.0883397812322297,0.086301929236663,0.0,0.8712149978694974,0.7905550997067152,0.9720665605319916,1.0426592564290267,1.4611279194463902,1.5768645031428683,0.28133188372615164,0.0,1.1122587977076075,0.6284244124572359,1.2216107401639427,1.216845727616531,1.1067610451604748,1.446763755498447,0.39993317882464424,0.0,0.9687076227404408,1.2876067294370983,0.8303966001215837,0.9537427717922294,1.6775832061308231,1.2141224522088871,0.018190688955653133,0.0,1.3172874340113536,0.6919873756485204,1.346997662836406,1.3079388874063131,0.9341746101006015,1.2250514768766771,0.38940930812565916,0.0,1.365517145160101,0.7367271158887161,1.3636487522410063,1.320929564165133,0.9126246370430912,1.1564782207665516,0.37046237787225705,0.0,1.019763138415988,0.851221317542561,0.8066958947787963,1.065303478904515,1.796475424035781,1.3268009682517454,0.06685956530516117,0.0,46.37652587038723,23.5632629351936,31.350547619271346,47.0015258703872,3.9167938225322674,23.563262935535814,0.7499999999999645,9.992007221626409E-16,8.326672684688674E-17,-41.44749119080906,6000019.990520883,500001.6658767403,18.728728030728316,46.398331217857574,23.573063977576837,31.36357231800516,47.021495165604335,3.918457930467027,23.57306397791558,0.7477967372960954,1.1102230246251565E-16,9.25185853854297E-18,-44.08416068361253,6000019.995558585,500001.66629654873,18.72872803173585,66.07362216382722,32.43831936482657,43.320061099324775,65.47513044674018,5.456260870561682,32.438319364826604,-1.1969834341740935,0.0,0.0,0.0,6000025.295516359,500002.10795969656,18.728729091723405,46.42121770511925,23.583351052888037,31.377243560783015,47.04245470566661,3.9202045588055503,23.583351053223176,0.745484400656828,7.216449660063518E-16,6.013708050052931E-17,-41.83799807133062,6000020.0008491175,500001.6667374265,18.728728032793953,87.31636620367775,42.03474170533014,56.46003478402438,85.692924807169,7.141077067264084,42.03474170533014,-3.2468827930174626,3.3306690738754696E-16,2.7755575615628914E-17,-42.7658259372108,6000031.713901578,500002.64282513154,18.72873037539435,48.66667908619705,24.593040821915963,32.72219823031358,49.099514550892785,4.091626212574398,24.59304082203347,0.51940255763488,3.3306690738754696E-16,2.7755575615628914E-17,-42.7658259372108,6000020.534323532,500001.7111936277,18.728728139488478,42.0666174180009,21.812850155208565,29.61616555939529,43.365853161681095,3.613821096806758,21.812850157476543,1.5590828924162317,5.551115123125783E-17,4.625929269271485E-18,-44.91593730028446,6000018.448720519,500001.53739337664,18.72872772236923,0,11.996268776847208,15.998703985309868,-0.374924579859559,0.13282648387796342,4.857994906402499,8.168120791310118,12.0,24.0,21.0,18.0,6.0,3.0,0.0,0.0,0.0,6.0,16.950484,3.8587179707769192,3.079395842682228,3.056088685135396,2.7090982689251732,2.4063941043892303,2.2362881981553215,1.6916444283816712,1.257201504741258,1.9303352389642443,1.453385340894628,1.437904691121481,1.2915628763704503,0.923502927234393,0.7901930019333038,0.3129460100306986,0.08392307051869077,3.817054470834493,3.0015869428543565,2.943874613247918,2.6537504087461268,2.4458894790810084,2.1959362996905183,1.486507398167957,1.1052475828770874,1.9455756211818762,1.4260227746527105,1.421443607127728,1.2253471551823858,0.8665472553409324,0.8228814492798943,0.29841479591952585,0.054185262990353526,3.892217168024396,3.205735732874559,3.191568210671704,2.927533178323984,2.616580703317539,2.5149613989582824,1.9594290674721757,1.575548678694601,1.8512719382364318,1.1448915265052348,1.1010168533556575,0.9084792479557656,0.6440421757067872,0.4491929144426317,0.20223933532627683,0.5656935500096887,3.809123590419254,2.9972421516090235,2.919921002519941,2.6696195810216046,2.4757541369602896,2.211603222007237,1.4309167207368416,1.0879663605121896,1.9551156204219304,1.4231078949303753,1.398503081469357,1.1896342871694472,0.8265945660369146,0.820541039953221,0.2852893532910312,0.04485497295091545,3.89679287373274,3.240753126171362,3.2404494037512195,3.0042550938108272,2.6925226194390683,2.5905660800166856,2.02939125615345,1.6588890415326731,1.8435625832171345,1.0962294028097295,1.0542414712743549,0.8206773937267907,0.5737680573734761,0.37189851874222557,0.28684249074834534,0.6608241830442615,4.1448923580755626,3.615048838043483,3.3387211049712353,3.1830003519385857,2.658780383504759,2.531825132094176,2.064048036780119,1.6351659685287618,1.8725488157394596,1.2105427783665086,1.1533058907258582,1.0310311968484265,0.7464585485092403,0.4892078647211066,0.22250827810532836,0.4240522336409291,0,0,0,5,1,1,0,0,0,0.0,0.0,0.0,0.05555555555555555,0.1896785312429497,0.0,0.0,0.0,0.020833333333333332,0.04716062867557674,0.8144585576580216,0.0,0.19245008972987526,0.0,0.34041949630191937,0.0,0.026352313834736494,0.0,1.9292312334115675,2.9610710355174716,3.991009911299472,0.5652668236272096,0.7026570152851176,0.7830132391077311,9.137828201504695,5.685070510202193,4.772348884409528,3.946131599948144,3.02098018309918,2.156213438090459,0.8819996154934826,0.44303841637156455,0.7614856834587246,0.47375587585018275,0.2982718052755955,0.1973065799974072,0.13134696448257305,0.08984222658710246,0.05512497596834266,0.044303841637156456,7.418410714806936,3.60305220752082,2.5180486988872084,1.624143082088572,1.0245744461547655,0.6489545228391989,0.2150452910997988,0.08497962005344425,0.618200892900578,0.300254350626735,0.15737804368045052,0.08120715410442861,0.04454671505020719,0.02703977178496662,0.013440330693737425,0.008497962005344426,14.395364135965808,24.31900946831755,23.400000000000006,23.759999999999994,15.23204550898203,182.861177245509,0.5998068389985753,1.013292061179898,0.9750000000000002,0.9899999999999998,0.6346685628742512,7.619215718562875,1.4374200000000013,44.85080000000002,55.310896743335164,72.0111129681463,110.62179348667033,9.21848279055586,55.310896743335164,3.3306690738754696E-16,2.7755575615628914E-17,-42.7658259372108,6000018.863112937,500001.57192607806,18.728727805247456,110,1.0,0.0,3.0,6.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6143055555555554,0.0,19.339814814814815,5.40388888888889,0.0,6.06723432355967,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6143055555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1197222222222223,0.0,0.0,0.0,0.0,1.1197222222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.922962962962963,0.0,0.0,0.0,0.0,3.4957407407407404,0.0,0.0,0.0,0.0,1.908148148148149,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.46324074074074,0.0,9.876574074074075,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6143055555555554,0.0,4.938287037037037,0.046851851851852144,0.0,3.033617161779835,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6143055555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5598611111111111,0.0,0.0,0.0,0.0,0.5598611111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5078703703703704,0.0,0.0,0.0,0.0,1.7478703703703702,0.0,0.0,0.0,0.0,0.046851851851852144,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.46324074074074,0.0,4.938287037037037,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6143055555555554,0.0,9.46324074074074,1.7478703703703702,0.0,3.033617161779835,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6143055555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5598611111111111,0.0,0.0,0.0,0.0,0.5598611111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9072222222222222,0.0,0.0,0.0,0.0,1.7478703703703702,0.0,0.0,0.0,0.0,0.9875000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.46324074074074,0.0,4.938287037037037,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,29.666666666666664,2.472222222222222,0.6143055555555554,9.46324074074074,0.20430555555555552,0.046851851851852144,3.553576111111111,1.6198148148148146,3.463240740740741,12.67962962962963,1.6198148148148146,3.463240740740741,12.67962962962963,5.49999,0.45833,0.0,0.04167,0.59583,0.89167,0.43333,0.53667,0.84615,0.1625,0.05917,-0.10333,0.04551,0.51402,0.20027,0.0,0.33333,0.36364,0.0,14.75,1.22917,7.25,0.60417,7.5,0.625,0.25,0.02083,1.5,0.125,7.13673,0.59473,16.15187,9.01514,0.75126,2.40476,0.2004,5.68505,3.28029,0.27336,0.22895,0.01908,0.31495,0.02625,0.25,12.03,0,3,3,3,1,1,0.3333333333333333,1.4056390622295665,2.8647869792568113,3.3239348962840563,3.490601562950723,3.5739348962840563,3.4906015629507228,33.7353374935096,68.75488750216347,79.77443751081735,83.77443751081736,85.77443751081735,83.77443751081735,0.3065759124547861,0.6248223358001764,0.7249644671600353,0.7613151824909572,0.7794905401564182,0.7613151824909571,3.1793234384915907,1.7201755214643457,1.2610276044371007,1.0943609377704338,1.0110276044371007,1.0943609377704342,0.29561983571430495,0.6024931142857399,0.6990564750000224,0.7341081279762146,0.7516339544643106,0.7341081279762145,12.869674245254796,25.117399325278516,26.84189864948829,28.84189864948829,29.25879362048829,27.925884068821624,43.65450936039658,28.084962500721158,25.415414066556508,22.83045156583535,22.18421094065506,23.90751927446917,10.083333333333334,4.296875,2.25,1,9,0,2.12,1.3152,0.5646216173286172,1.9309787692112594,4.160167646103808,0.0,0.4999999999999999,5.1115448339701794,0.0,3.5327755290014426,0.0,0.0,0.0,0.6666666666666667,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.04400000000000004,0.2799999999999999,0.18800000000000006,1.335,0.743,5.731,16.0,20.0,23.0,24.0,16.0,10.0,3.0,0.0,0.0,136.0,2.772588722239781,3.349904087274605,3.876395827784995,4.345427482225552,4.756280534402469,4.599529306098006,4.2018901887852635,3.056356895370426,0.0,0.0,6.171047983669812,3.512408088235294,0.3333333333333333,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.16666666666666666,6.0,0.5,0,4.0,6.0,0.5,3.0,1.5555555555555562,1.25,0.8444444444444447,0.18055555555555558,0.0,0.0,0.0,0.0,0.0,0.25,0.09722222222222227,0.07352941176470588,0.06495726495726498,0.025793650793650796,0.0,0.0,0.0,0.0,0.0,0.5115025497378439,32.46859816297567,43.760100785104854,64.93719632595133,5.411433027162611,32.46859816297571,0.0,0.0,0.0,6000019.453694147,500001.62114117894,18.72872792336332,38.69,159.42516563208352,4.584962500721156,4.04305126783455,4.859812404361672,5.713732805509369,6.55250788703459,7.407924322559599,8.252446090246952,9.106866963499908,9.953277217038643,10.806956434690225,90.69657539277551,3.2188758248682006,0.0,4.48863636973214,0.0,5.983936280687191,0.0,7.585281078639126,0.0,9.238441802087058,9.455088847042777,168.078644244,7.0032768435,23.25833848661795,1.9381948738848294,8.068119909810976,8.068119909810976,0.0,188.0,17.0,1.607,56.0,1.2352209892067094,2.1293634035903004,3.03300690732958,3.7394829840650505,4.461033363245004,5.26823080739513,5.991746301841841,5.961118308017961,0.0,0.0,119.43340848519803,166.88466975953824,264.1944513178955,229.36396809824282,170.6255285516511,82.68945701899197,17.777049144138676,6.056877712517963,0.0,0.0,317.527960702342,452.45161245432377,680.6405555702985,636.3249993240595,610.5053509772276,555.352538099078,274.40934112840057,185.29387800896973,0.0,0.0,9.890716921815685,17.035150964888736,24.67115515870845,29.669452764444202,35.82670064045974,40.58203565351882,40.676022943585735,40.049558752159584,0.0,0.0,2.0857738528936745,2.9968909740950576,4.5501712037480475,4.496610892580906,4.553082233944488,4.913851349524333,3.3690078796515093,2.650390127076421,0.0,0.0,179.98671942072667,333.7948743462103,454.56063452230165,589.1080245149299,735.4948621284244,866.35294558891,1074.4701630010081,1102.316000957445,0.0,0.0,4.5703890980872535,7.0183211182778065,12.916915356413242,13.031367034951783,14.067195920392827,13.525835678220588,7.045666249152751,5.961118308017961,0.0,0.0,0.4925199564287741,0.7226516504368814,1.1080704934956138,1.121993227592791,1.154633072614004,1.1812987718528583,0.7585742060585856,0.6104185147410393,0.0,0.0,320.62119419817867,379.8644246719611,20.132143057501715,100.25496291028612,-118.77971417848637,-24.582573044885194,220.36623128789256,498.64413885044746,44.71471610238691,0.7617946248153724,0.9025562941881393,0.0478338882292955,0.23820537518462762,-0.2822201072033535,-0.05840809138197385,134.94181610165623,159.8758792781529,8.47313900439918,42.19492352073289,-49.99154964588317,-10.346218874969413,0.18399643969411253,0.3003073290334022,4.28610816061533,7.731380247451561,330.5993506149085,90.27680649355631,0.7855026829892602,0.21449731701073982,1049.7205326019853,32.39939092949103,10.163061743228699,1173.637641897291,34.258395203180356,10.548191605155516,2013.5704626037068,44.8728254359329,12.627642475556222,1.2211256689706054,1.0848457896411885,912.4806614524593,555.115144620914,435.9238243126865,1.6437682709514059,2.093211268943953,1.2734223588172873,4.7537155223787115,4.655762071914402,7.560390875278351,0.6238782735238865,4.155947192527197,3.0048933657849775,8.044787280284686,9.563327508754666,4.5312716092112355,9.456474081200634,8.999357788193915,11.634795610969519,7.251204599448695,9.364852111782321,9.463217687426576,9.241854266182433,2.5716554182220017,0.7500728593586836,4.045671657585475E-9,4.546182640669441E-39,9.85323930207256E-91,4.118955371788865E-164,3.321016606868701E-259,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.374666016329927,3.380544742599803,0.7278998809214956,4.120017992085297,0.6555716936117333,5.125176042194944,4.848443483574606,1.8208143415898774,2.238518101959446,3.3720664170737282,0.7690757188460652,0.3152474126807925,0.018113167818491413,0.005282824478384487,2.849399627987148E-11,3.2019136058155135E-41,6.939717005741889E-93,2.9010139471069746E-166,2.3390191506046333E-261,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0545569778242496,2.6818953996710344,1.5916578727113784,4.2246404314121575,1.355436339819149,3.715675253360497,4.286142513784912,3.1115107418677277,2.574298156608922,3.037388424621933,1.9973312377339028,1.1930168627684294,0.1887469835294496,0.05505110414384854,2.9692941022286834E-10,3.3366408460963917E-40,7.231720174976603E-92,3.023080202236464E-165,2.437438294254458E-260,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.21146905436058,3.3791610774433223,9.04018713892238,9.913344391892796,4.3470984488174125,10.165103448651994,9.74612768891157,11.720869731558759,7.260740297238488,10.255505863553006,9.902765231848507,8.658430522145228,2.2912992216131562,0.6683014137200133,3.60462061048718E-9,4.050566885444256E-39,8.779058824934477E-91,3.669915080475939E-164,2.95896600665651E-259,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4675681134041585,2.4164059947580965,1.9493299820541337,4.526231955624624,1.8674888182921434,3.516294081103639,4.296905593031383,3.9814222541879793,2.980663237336358,3.1030414580065515,2.7073293005671246,2.000637091973373,0.40998172968986285,0.11957835449383619,6.44970356679819E-10,7.247629781785427E-40,1.5708262570428535E-91,6.56653416327025E-165,5.294441681780138E-260,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.252679959013858,3.2419877205894916,11.20929814425935,11.84028568954711,5.458774497069352,12.06887173742638,10.90983355715028,15.28156367564084,9.128446908184147,12.368393697184832,12.669066819688313,12.957986446340287,3.750515167596893,1.0939107723475525,5.900231894002732E-9,6.630180124021269E-39,1.4370023499145383E-90,6.0071093038496495E-164,4.8433906067537686E-259,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.502254405391861,4.082360747641506,6.275015866308718,8.494501631291532,2.7694970717948766,11.310830876250249,10.541570439679575,8.461313708756345,5.273337519963011,10.227966028993094,8.574060062173121,3.928946939655895,0.7498977104312095,0.21872124578899216,1.1797178553519248E-9,1.3256668580192092E-39,2.873204580484359E-91,1.2010873864136332E-164,9.684084425629133E-260,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.529045561324379,3.4266561012510577,0.45075963653615325,0.5387576770029282,0.40762170660479846,0.548712685385789,0.47463034406244053,0.49835585216574985,8.40646129911159,19.105590795368776,34.5076079822304,0.41956907541159005,1.5216988816139794,3.089390716880118,2.39876257035176,0.31101473427209136,0.5327299890991791,0.4136390877892963,0.2663858199803035,0.2362416586311263,0.19163073947843354,5.799168021503969,9.117611353117146,17.22162087414817,0.4195536153327131,0.6942582180898633,3.5143688101151698,2.728392657321051,0.34542063726988204,0.5334352867393827,0.4141343718128392,0.3344450952910666,0.3056630354813088,0.29297834110446164,6.588182104706103,11.74495670104203,21.645231548583467,0.42135448782833285,0.933086471876837,4.4318676647113575,3.3635573010126367,0.4521693526624757,0.5373527714416478,0.4078228355041924,0.5281307248443344,0.4611420221975549,0.5027169913641456,8.247594318386469,18.431693101242033,33.41970399283828,0.41776341041876025,1.491989738406035,3.801154117969391,2.9266969851649023,0.36084712640562544,0.536227385463988,0.4128680457814968,0.3868987973349182,0.3472940601007986,0.3186906802881019,7.088698229539919,13.552552034659097,24.65561186530832,0.42364314686822707,1.0528835377238188,4.666531533755792,3.5212975984581614,0.4687126162258538,0.5390757267007756,0.4067787923616049,0.5826513510517534,0.5012568115466574,0.5392087451218345,8.656541748439809,20.269985096713818,36.628527990899656,0.41878177859357096,1.6231169077202452,4.453805311253334,3.380116410791598,0.4509578058676782,0.5375823868347157,0.40798618729501596,0.5312666122443901,0.4625132065142441,0.5001075012075633,8.284879527912612,18.587148574150703,33.66091846633394,0.41835286119459764,1.4938873199661975 +UMLCN0451,L,furfural,C1=COC(=C1)C=O,Cyclic Ethers,Aromatics,C5H4O2,NREL (2014),IQT,PubChem,,13.9,0,-0.37870000000000015,0.14341369000000012,27.1196,13.071172,5,5,11,7,4,0,5,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1237.3208629999995,1201.9768029999998,1450.6089519999996,859.7158639999999,450.91544999999996,34.286112,0.0,0.0,0.0,2674.701040399084,3061.2025787068583,3757.4325747746498,2362.782161500211,1208.5865891210444,226.19475011279414,0.0,0.0,0.0,91.27986799999998,88.734244,131.945728,123.02285599999999,71.446392,32.379264,0.0,0.0,0.0,17.009359619395997,19.62779724,24.263761832,16.735139627697997,8.556851035698001,1.9587617816979999,0.0,0.0,0.0,1744.5449601519963,1579.6976004566004,2409.6545776897005,2436.506746811848,1474.196428426248,740.203857440798,0.0,0.0,0.0,84.02777777777777,49.5,69.16666666666667,70.33333333333333,45.0,16.0,0.0,0.0,0.0,112.48371481818177,109.27061845454544,90.66305949999997,57.31439093333333,50.10171666666666,8.571528,0.0,0.0,0.0,243.15464003628037,278.2911435188053,234.8395359234156,157.51881076668073,134.28739879122716,56.548687528198535,0.0,0.0,0.0,8.298169818181817,8.066749454545455,8.246608,8.201523733333334,7.938488,8.094816,0.0,0.0,0.0,1.5463054199450907,1.7843452036363636,1.5164851145,1.1156759751798664,0.9507612261886668,0.48969044542449996,0.0,0.0,0.0,158.5949963774542,143.60887276878185,150.60341110560628,162.43378312078988,163.799603158472,185.0509643601995,0.0,0.0,0.0,7.638888888888888,4.5,4.322916666666667,4.688888888888888,5.0,4.0,0.0,0.0,0.0,0.26368915033445606,-0.06713882233881077,-0.11924480674292628,0.06410050182328861,0.01871632725847067,-0.028277775167250274,0.0,0.0,0.0,398.01838799999996,13.064688000000082,-126.02360799999991,-102.82872599999996,9.623249999999942,7.1552019999999175,0.0,0.0,0.0,501.32846323270206,-38.28681862162857,-155.7603764672223,-114.92618361803049,-74.45389484796054,132.76304193849074,0.0,0.0,0.0,1.6128829090909091,-0.09905454545454567,-0.5491780495867762,0.25498512396694223,-0.13125619834710783,-0.28193778512396683,0.0,0.0,0.0,2.5280884690701813,-0.4536347912727272,-0.8044967779959007,-0.06205681659842999,-0.7377512544503302,0.7938954057822976,0.0,0.0,0.0,14.993743624506532,-3.0153633416363483,-4.818964596385143,0.5995390825565214,-4.791469930130086,4.529386973341787,0.0,0.0,0.0,30.934343434343436,-0.6641414141414141,-8.1267217630854,5.789026629935721,-3.8326446280991724,-8.63269054178145,0.0,0.0,0.0,0.023971740939496004,-0.006103529303528252,-0.007452800421432893,0.0042733667882192405,0.002079591917607852,-0.0070694437918125685,0.0,0.0,0.0,36.18348981818181,1.1876989090909165,-7.876475499999994,-6.855248399999997,1.0692499999999936,1.7888004999999794,0.0,0.0,0.0,45.57531483933655,-3.4806198746935064,-9.735023529201394,-7.661745574535366,-8.272654983106726,33.190760484622686,0.0,0.0,0.0,0.14662571900826446,-0.00900495867768597,-0.03432362809917351,0.016999008264462816,-0.014584022038567537,-0.07048444628099171,0.0,0.0,0.0,0.22982622446092557,-0.04123952647933884,-0.05028104862474379,-0.004137121106561999,-0.08197236160559224,0.1984738514455744,0.0,0.0,0.0,1.3630676022278665,-0.27412394014875896,-0.30118528727407146,0.039969272170434764,-0.5323855477922318,1.1323467433354468,0.0,0.0,0.0,2.812213039485767,-0.06037649219467401,-0.5079201101928374,0.3859351086623814,-0.42584940312213027,-2.1581726354453625,0.0,0.0,0.0,-0.2546135184312807,-0.31089942279301075,0.17826685174869433,0.08675181009408885,-0.29490739991123904,0.0,0.0,0.0,0.032824332729070003,-0.21768147681659358,-0.1894579111757017,0.029550770403099898,0.049436925763338795,0.0,0.0,0.0,-0.07637072584058915,-0.21360299020466644,-0.1681117421030393,-0.18151613460641433,0.7282617926311149,0.0,0.0,0.0,-0.06141459178234899,-0.23409009232028988,0.11593469671923436,-0.09946428319131051,-0.48070997883406047,0.0,0.0,0.0,-0.17943786256798674,-0.21877855211119496,-0.018001083715602616,-0.3566710535225668,0.8635822648660287,0.0,0.0,0.0,-0.20110810329635664,-0.22096137182176365,0.029323029984064598,-0.3905789756297296,0.8307341040786841,0.0,0.0,0.0,-0.02146938775510204,-0.18061224489795916,0.13723537414965986,-0.15142857142857138,-0.7674285714285713,0.0,0.0,0.0,1.0245017210457363,1.2013632233474316,0.8231158467814306,0.760977525321792,1.3282835163301001,0.0,0.0,0.0,0.6075284276930077,0.9731591785151394,1.1862855952608238,1.0340147693544919,1.4115558965079773,0.0,0.0,0.0,0.9101777949311721,1.0319168348340706,1.0874806010972917,1.1667381326054318,0.41613067212593075,0.0,0.0,0.0,0.7237903534901252,1.1035829011315255,0.8990716717003785,0.9891315261270538,1.7481802207137613,0.0,0.0,0.0,1.1302051865203673,1.1234777389602708,0.9027654149776421,1.219811846019984,0.0180778215167878,0.0,0.0,0.0,1.1685057359007915,1.147107308303302,0.8528360329757984,1.2222136756697706,6.409914338732661E-5,0.0,0.0,0.0,0.5118367346938775,0.8339795918367345,0.6561088435374149,1.616326530612245,2.9093877551020406,0.0,0.0,0.0,16.246044890505814,8.373022445252909,12.88999047784936,16.603187747648676,2.3718839639498106,8.373951690966381,0.5000000000000036,0.16813018397683122,0.02401859771097589,-1.24811168652692,60.410201209310394,8.630028744187198,2.8708105894115423,16.251666529001696,8.375098843599542,12.893396084077999,16.607760213428403,2.3725371733469145,8.376025826329583,0.4985311581973857,0.16814078789691844,0.024020112556702635,-1.2480675391298242,60.498451843551045,8.64263597765015,2.871832442742613,21.35439476116796,10.278202902525955,16.155517048568804,20.784402649656496,2.9692003785223564,10.278316378626002,-0.7979889561160487,0.14802925794381017,0.021147036849115737,-1.3372417351624462,43.78432394290327,6.254903420414753,2.645493096731555,16.257566936739803,8.37727826858884,12.896971172568312,16.612559508481144,2.373222786925878,8.378202882367313,0.4969896004378791,0.16815178066906356,0.024021682952723365,-1.2480217757605228,60.591673052289615,8.655953293184231,2.8729102326790694,27.082434917474068,12.391224887642702,19.943392626294887,26.154754119469082,3.7363934456384404,12.391238371269834,-2.1645885286782995,0.10913825656222642,0.015591179508889488,-1.5505978541732843,35.20845127155036,5.029778753078623,2.4929003027096877,16.83671405097892,8.59149121136776,13.250773776077171,17.084048602233636,2.4405783717476623,8.592211696997751,0.3462683717565991,0.16859513892741074,0.024085019846772963,-1.2461785460701829,74.18668986585952,10.598098552265645,3.0146093265545275,15.64652545907619,8.123162015067305,12.588989423837457,16.05549227290663,2.2936417532723756,8.124574383128616,1.144761904761908,0.1759529982706498,0.02513614261009283,-1.216276862422997,50.748627438547125,7.249803919792447,2.7488192004072034,0,11.988739991012423,16.006024056677127,-0.37553507070876346,0.25351310177374375,3.4904892130144147,6.534507881434634,7.0,11.0,8.0,5.0,1.0,3.0,1.0,0.0,0.0,6.0,7.246827999999999,3.8095854149419424,2.9965888588890413,2.1833838889443795,1.950141804431076,0.6519060491291091,0.5228301965284545,0.034549846176519766,0.27765623516215154,1.6104653827884194,1.4248519921346487,0.8362622199985197,0.27765623516215154,0.034549846176519766,0.5228301965284545,0.6519060491291091,1.950141804431076,3.713007742679937,2.854505577644032,2.08953260811509,1.77838504193373,0.7425809450014239,0.4142529346614261,0.06502801976644199,0.1210374898325831,1.6239969963854426,1.5001860655827008,0.8988185015958895,0.1210374898325831,0.06502801976644199,0.4142529346614261,0.7425809450014239,1.77838504193373,3.852484210477026,3.076055898575157,2.347686920528878,2.0844628544229953,1.2973257627075587,1.0613385371863717,0.6073070657934522,0.436690855442004,1.4823732625955564,1.2853018553755697,0.5586777154944448,0.436690855442004,0.6073070657934522,1.0613385371863717,1.2973257627075587,2.0844628544229953,3.6896900790390865,2.82466865263804,2.0877900329057484,1.7192900539589386,0.8232149416094968,0.4241138906967451,0.1130918823443925,0.01756733378420503,1.658735124950117,1.505863079825368,0.9421059706806624,0.01756733378420503,0.1130918823443925,0.4241138906967451,0.8232149416094968,1.7192900539589386,3.849318679555874,3.081433990991685,2.408261521875017,2.118279457456709,1.5001626576606912,1.2081735809688139,0.7434770861142181,0.6305736622118461,1.468450156196284,1.2774756622881787,0.5444033801116251,0.6305736622118461,0.7434770861142181,1.2081735809688139,1.5001626576606912,2.118279457456709,4.464007999291803,3.802711864293683,2.414694432886503,2.2505045580705256,1.313149599785292,0.9716838386645817,0.36888196045333077,0.1014463326554018,1.500303420405713,1.2270829334007316,0.4596942322946846,0.1014463326554018,0.36888196045333077,0.9716838386645817,1.313149599785292,2.2505045580705256,0,0,2,3,0,0,0,0,0,0.0,0.0,0.14433756729740646,0.10206207261596577,0.10206207261596577,0.0,0.0,0.039283710065919304,0.022680460581325723,0.009259259259259259,0.20412414523193154,0.0,0.0,0.0,0.06804138174397717,0.0,0.0,0.0,0.49279927982674443,0.5948613524427102,0.20412414523193154,0.10634519790961638,0.10011639669895639,0.018518518518518517,5.112884175122363,3.431851652578137,2.558730744624475,2.052095140581215,1.4186112615457085,0.49279927982674443,0.20412414523193154,0.0,0.7304120250174805,0.4902645217968767,0.3198413430780594,0.22801057117569057,0.15762347350507872,0.12319981995668611,0.10206207261596577,0.0,3.625897657686229,1.9195456018792556,1.1332707073421948,0.6593369410140686,0.3583193037947684,0.08407888922146678,0.018518518518518517,0.0,0.5179853796694613,0.27422080026846507,0.14165883841777435,0.07325966011267429,0.03981325597719649,0.021019722305366695,0.009259259259259259,0.0,7.513253816405456,11.43699927166788,11.14901960784314,11.320000000000004,7.5575880239520945,82.59363592814373,0.6830230742186778,1.0397272065152618,1.0135472370766492,1.0290909090909095,0.6870534567229177,7.508512357103975,1.01819,26.25849999999999,22.87726983959036,33.161781788254075,45.75453967918071,6.53636281131153,22.877269839804914,0.10650955175902371,0.015215650251289101,-1.5676644269833526,23.73191567932052,3.39027366847436,2.2167745567470005,44,0.0,0.0,2.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,3.0,0.0,0.0,0.0,1.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,3.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.388425925925926,5.778240740740741,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7833333333333332,1.8466666666666667,0.0,0.0,0.0,0.7833333333333332,2.63,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6666666666666667,4.736574074074074,0.0,0.0,0.0,0.0,0.3750000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.773842592592592,0.0,4.614583333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.614583333333334,0.3750000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7833333333333332,0.5733333333333333,0.0,0.0,0.0,0.7833333333333332,0.5733333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6666666666666667,1.462037037037037,0.0,0.0,0.0,0.0,0.3750000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.773842592592592,0.0,4.614583333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.773842592592592,1.6703703703703705,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7833333333333332,0.6775,0.0,0.0,0.0,0.7833333333333332,0.7833333333333332,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6666666666666667,1.6703703703703705,0.0,0.0,0.0,0.0,0.3750000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.773842592592592,0.0,4.614583333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.166666666666664,2.8809523809523805,0.7833333333333332,9.773842592592592,0.390625,0.3750000000000002,1.6779023148148149,1.3333333333333333,2.7738425925925925,7.776851851851852,1.3333333333333333,2.7738425925925925,7.776851851851852,3.16666,0.45238,0.0,0.04762,0.69394,0.91905,0.43333,0.58889,0.91905,0.26061,0.10505,-0.15556,0.0,0.49223,0.22206,0.0,0.10526,0.1579,0.0,10.75,1.53571,4.25,0.60714,6.5,0.92857,2.25,0.32143,0.0,0.0,1.88752,0.26965,6.53706,4.64954,0.66422,1.02943,0.14706,3.43185,2.40242,0.3432,-0.01785,-0.00255,0.06815,0.00974,0.45454545454545453,7.02,1,2,2,2,0,0,0.0,1.4949188482339508,2.5503407095463886,3.2776134368191165,3.459431618637298,3.459431618637298,3.459431618637298,16.44410733057346,28.053747805010275,36.05374780501028,38.05374780501028,38.05374780501028,38.05374780501028,0.4321284572240839,0.7372137942564656,0.9474427588512933,1.0000000000000002,1.0000000000000002,1.0000000000000002,1.964512770403347,0.9090909090909092,0.1818181818181812,-4.440892098500626E-16,-4.440892098500626E-16,-4.440892098500626E-16,0.3874873541683992,0.6610557990740066,0.849567025073107,0.896694831572882,0.896694831572882,0.896694831572882,13.891855982152713,27.283266430629233,30.01480735717469,30.19804827208378,30.19804827208378,30.198048272083778,24.788931477916414,18.181630889014546,15.99004037901268,15.724689175624079,15.72468917562408,15.72468917562408,5.142857142857143,2.34375,1.1851851851851851,1,7,0,1.7899999999999998,0.6929000000000002,0.0,0.0,0.0,0.0,3.3019272488946267,2.8284271247461903,0.0,0.0,0.0,0.0,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.49600000000000005,0.511,0.9480000000000001,0.534,3.182,8.0,9.0,9.0,4.0,2.0,0.0,0.0,0.0,0.0,46.0,2.4423470353692043,2.847812143477369,3.3455084758015667,3.7391566074049467,3.2037621870581527,3.056356895370426,0.0,0.0,0.0,0.0,4.990857666487582,3.1752717391304346,0.5,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.14285714285714285,1.0,0.14285714285714285,0,2.0,4.0,1.0,1.0,0.44444444444444464,0.2222222222222222,0.125,0.0,0.0,0.0,0.0,0.0,0.0,0.14285714285714285,0.05555555555555558,0.05555555555555555,0.0625,0.0,0.0,0.0,0.0,0.0,0.0,0.31646825396825395,12.646764559569089,19.13821664851042,25.293529119138174,3.6133613027340252,12.646774418859144,0.12433423528054999,0.01776203361150714,-1.4593473256359097,35.743733281414876,5.106247611630697,2.5034624726628145,30.21,81.45100042805568,3.807354922057604,3.4339872044851463,4.174387269895637,4.9344739331306915,5.6937321388027,6.459904454377535,7.223295679562314,7.990576881743923,8.755107121633896,9.522446728338489,72.18791141197033,2.70805020110221,0.0,3.8501476017100584,2.3978952727983707,5.176149732573829,4.442651256490317,6.577861357721047,6.259581464064923,8.017966703493599,8.436416881388949,96.021129368,8.729193578909092,13.585236367059636,1.9407480524370908,5.383752168933944,5.383752168933944,0.0,43.0,4.0,0.41800000000000004,30.0,1.3891438416996431,2.4664340342336306,3.584134704098129,4.667015732471213,5.544356075163703,0.0,0.0,0.0,0.0,0.0,167.5251927130204,241.45198324589623,222.25753044884408,232.4655742467712,47.678648781462094,0.0,0.0,0.0,0.0,0.0,413.48598154026445,611.765011875594,596.2131788472532,626.24134414206,314.04862454301144,0.0,0.0,0.0,0.0,0.0,11.355361448656735,20.379301027644367,29.679941296564994,37.04101396409472,44.90878634342093,0.0,0.0,0.0,0.0,0.0,2.5910132780273205,3.900435878417539,4.1596339958679724,4.442902664158472,2.7159432308439464,0.0,0.0,0.0,0.0,0.0,197.88826041935818,367.81460352869965,577.1719695802642,764.1119464214997,1025.9911741636643,0.0,0.0,0.0,0.0,0.0,6.357600884657459,10.775123041888145,17.825908875154273,23.27040041178313,22.238987207139296,0.0,0.0,0.0,0.0,0.0,0.6171732624366993,0.9641501836115334,1.0640864796011047,1.2079235411835838,0.8526637667491468,0.0,0.0,0.0,0.0,0.0,240.9659488417921,161.82457269431924,25.303902132706295,144.84763715196607,-97.27476890640823,-31.32700226919988,96.11831168982604,259.0993416007275,56.63090440190618,0.6245657426011185,0.4194372063842699,0.06558582447927498,0.3754342573988813,-0.2521289359363876,-0.08119725019146085,92.96793682504031,62.434118693102924,9.762589221454522,55.884186312322754,-37.52992741849549,-12.086383083914606,0.257746357821345,0.46827787106605495,12.409942094602838,18.350366424138436,286.849531321017,98.96405467274113,0.7434925615233718,0.2565074384766279,542.5388238928857,23.292462812954874,8.155994805980463,581.9239051008528,24.123098994549867,8.348761718204496,801.9054592414718,28.31793529269872,9.29054212198657,2.3321597950920157,2.3321597950920157,375.3690472276396,302.48396151611786,95.74618070759325,1.2409552074966397,3.920459745271809,3.159227441561322,3.807590241862784,3.6545631492182182,5.767939659815468,0.5782843049378807,1.3738295101446967,0.9209492077638609,3.7335569440546625,3.621859702872723,2.119094280301709,1.0156724074941421,2.9798874583071795,0.5609852409486659,1.8350363761373218,1.1055256134365623,0.004587368578930691,5.31646212645399E-24,1.1892798454528002E-66,5.131227853499858E-131,4.270064605582772E-217,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.13182409660304079,0.9972702519472931,1.5096252231819574,2.155279843835707,2.514586240601116,0.23232602603033126,2.964645377447294,0.5349046084610317,0.07742667669044477,0.1226861510052348,3.2670143413352365E-5,3.744427944194989E-26,8.37619519333194E-69,3.613965732850845E-133,3.007441416016983E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3780824790124053,0.8553911583582721,1.3416975877265207,1.8153835793587065,1.4051259242521303,0.36208146679358433,1.8981059478082605,0.3243314255711965,0.30036320597696836,0.21305262811709286,3.3710127475002874E-4,3.901982430858429E-25,8.728641199493902E-68,3.766030931853191E-132,3.1339858304416766E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3018961161537148,0.9969567969489457,4.4070463644352005,3.677361044721221,2.724410625728335,1.0618068951931454,3.788952190589983,0.68457013572507,1.6794575753957757,1.385450454473224,0.0040885207271773106,4.736872046430995E-24,1.0596269310482543E-66,4.571831637189825E-131,3.804550687284803E-217,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5496308658732296,0.8014743297024687,1.2740387454727227,1.7910013396822295,0.9976303745747851,0.433545037120026,1.574227328408754,0.25291740436466276,0.49371454801257897,0.21170587895599505,7.314403267153907E-4,8.475627205240209E-25,1.8959775064188073E-67,8.180322425998318E-132,6.807436007677061E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6591134903258384,0.9690797687783506,4.934223249697136,4.565796744399059,2.5624422304291916,1.271792577059004,3.702807572270757,0.6814266467770916,2.465919724488536,1.6146118865521084,0.00669025319015552,7.753560362000226E-24,1.7344528842024542E-66,7.483413583465131E-131,6.227487919854595E-217,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7775509862261918,1.1510521747094884,4.48983267679248,2.952185261458953,3.616463240644702,0.7258790461305383,7.975330918552694,1.5712051120086978,0.7156622632523486,2.056629122271687,0.0012328297025249483,1.4223591010864775E-24,3.181783177489977E-67,1.3728017443965135E-131,1.142407296380646E-217,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7351638486260943,1.3344491068983193,0.21234384527454667,0.7071553194189519,0.2526429422324067,0.589392409554167,0.4076181694908482,0.3418357524328118,5.281956800798961,6.060887170947694,12.401247674467173,0.5607329791284279,1.338846331477827,3.2115145726663314,0.9041499602967082,0.12104632489784828,0.7580207100297194,0.2134084648753238,0.4569801892262498,0.18352910204339823,0.06637459276495684,4.236710857860888,3.4018768395961585,7.9900687942131015,0.6370310650445791,0.7068838840346048,3.1201025174894266,0.9702083948420722,0.1450896652084853,0.7366723549208307,0.22907122409790837,0.41371508674662416,0.21428143185921839,0.1657147098029393,4.235400577539984,3.620611496104916,8.29522020365909,0.6050085323812461,0.7937112284087817,3.747576298348576,1.3247846839813662,0.22450069129188777,0.7075088097941775,0.250107472237522,0.5937385860994054,0.4050281454445928,0.42018565479979264,5.29686167362183,6.103480229118848,12.514927597451713,0.5612632146912663,1.418952386343791,3.1693445536216127,1.0294904949288897,0.14303011500442128,0.7299500178459472,0.23710789168910745,0.42422183267505176,0.2399490053414922,0.15736006986049408,4.341865163554924,3.8633699529868686,8.671915219396631,0.5949250267689207,0.8215309078770381,3.8591619397376005,1.4002249542933836,0.22839341567854143,0.7032282128549477,0.25515324507724313,0.6292104335121776,0.4499152776313373,0.3972912238739525,5.487780309709525,6.604904187782538,13.326852821723378,0.5548423192824216,1.4764169350174676,3.8228695005853646,1.2967522973341405,0.22813829823339848,0.7148543374889756,0.24248512910424017,0.6178607092518077,0.38697546279531647,0.43144185925349826,5.3477600961529035,6.125296611868658,12.604010071964543,0.5722815062334634,1.4362780313006225 +UMLCN0452,L,indan,C1CC2=CC=CC=C2C1,Aromatics,Cyclic,C9H10,NREL (2014),IQT,PubChem,,8.6,0,0.849,0.7208009999999999,41.158,22.507929999999984,6,6,19,9,10,0,9,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1308.5377289999988,1563.7120899999993,2120.623525,1624.338080999998,853.5730599999997,158.49388800000003,8.128512,0.0,0.0,4122.489560053273,5382.535181198483,7893.703283444446,7136.725330117677,4529.11061145803,1780.9280740483166,248.6699554474421,0.0,0.0,135.04928399999997,146.58148,260.53474000000006,326.82617999999997,253.93460800000025,172.75161600000007,53.74771199999999,0.0,0.0,29.546229048489984,39.0244431,59.86042491454702,58.94299401333905,40.099703868490046,19.142499483036993,3.5569032387919997,0.0,0.0,2990.3257250524907,2799.1690380290006,5265.530539500748,7156.429617612141,5725.049994286292,4241.400048870038,1479.341216193992,0.0,0.0,38.30555555555556,47.94444444444445,76.58333333333334,84.66666666666669,62.333333333333336,35.0,8.0,0.0,0.0,68.87040678947362,78.18560449999997,58.90620902777778,35.31169741304343,23.71036277777777,6.339755520000001,1.016064,0.0,0.0,216.97313473964593,269.12675905992415,219.2695356512346,155.14620282864516,125.80862809605638,71.23712296193267,31.083744430930263,0.0,0.0,7.107857052631577,7.329074,7.237076111111112,7.1049169565217385,7.053739111111118,6.9100646400000025,6.718463999999999,0.0,0.0,1.5550646867626308,1.951222155,1.6627895809596394,1.2813694350725882,1.1138806630136124,0.7656999793214797,0.44461290484899996,0.0,0.0,157.3855644764469,139.95845190145002,146.26473720835412,155.57455690461174,159.02916650795254,169.6560019548015,184.917652024249,0.0,0.0,2.0160818713450293,2.3972222222222226,2.127314814814815,1.840579710144928,1.7314814814814816,1.4,1.0,0.0,0.0,0.042495237719193356,0.0022180867434842865,-0.011305978332791051,-0.011307949922589978,-0.018105200193672746,0.0028033853633755218,0.014450037482597296,0.0,0.0,573.4705689473684,33.53629058171782,-86.18826679501339,-184.11423529362847,-258.2294374792241,-9.054798457064063,217.31516296952876,0.0,0.0,1066.3930110278973,62.362164387596216,-160.27076247612257,-342.36828248790357,-480.1886657844913,-16.837784384650824,404.1068252316241,0.0,0.0,0.11233894736842098,0.006569529085873604,-0.01688368975069139,-0.0360667146814403,-0.050585373961219086,-0.001773772853186693,0.042570548476453536,0.0,0.0,4.7672729282321065,0.2787878905398981,-0.7164848786875055,-1.5305455190639914,-2.1466667571571505,-0.07527273044578028,1.8065455306984755,0.0,0.0,25.8959022084426,1.514380246107816,-3.891957232496865,-8.313947551131575,-11.66072789502974,-0.40888266644915605,9.813183994778209,0.0,0.0,3.1812865497076035,0.6191135734072005,-0.08179439827639445,-0.7049861495844881,-2.0949522930132343,-0.3628039396737438,1.0347799322868587,0.0,0.0,0.0022365914589049136,1.1090433717421432E-4,-3.140549536886403E-4,-2.458249983171734E-4,-5.029222276020207E-4,1.1213541453502088E-4,0.001806254685324662,0.0,0.0,30.182661523545704,1.6768145290858911,-2.3941185220837053,-4.002483375948445,-7.173039929978447,-0.3621919382825625,27.164395371191095,0.0,0.0,56.125947948836696,3.1181082193798106,-4.451965624336738,-7.442788749737034,-13.338574049569203,-0.673511375386033,50.51335315395301,0.0,0.0,0.005912576177285315,3.284764542936802E-4,-4.6899138196364977E-4,-7.840590148139196E-4,-0.0014051492767005302,-7.095091412746772E-5,0.005321318559556692,0.0,0.0,0.25090910148590034,0.013939394526994905,-0.0199023577413196,-0.03327272867530416,-0.05962963214325418,-0.0030109092178312114,0.22581819133730943,0.0,0.0,1.3629422214969789,0.0757190123053908,-0.10810992312491291,-0.18073799024199075,-0.3239091081952706,-0.01635530665796624,1.226647999347276,0.0,0.0,0.16743613419513703,0.030955678670360025,-0.0022720666187887348,-0.01532578586053235,-0.05819311925036762,-0.014512157586949752,0.12934749153585734,0.0,0.0,0.04958631883022375,-0.14041677233374072,-0.10991055042190627,-0.22486101589973118,0.05013674450403425,0.8075925883259187,0.0,0.0,0.05555555555555618,-0.07932098765432057,-0.13260869565217367,-0.2376543209876541,-0.012000000000000467,0.8999999999999987,0.0,0.0,0.05555555555555545,-0.079320987654321,-0.1326086956521738,-0.23765432098765413,-0.011999999999999868,0.8999999999999998,0.0,0.0,0.05555555555556428,-0.07932098765431574,-0.13260869565217345,-0.23765432098765563,-0.012000000000007432,0.8999999999999845,0.0,0.0,0.055555555555557315,-0.0793209876543199,-0.13260869565217384,-0.23765432098765468,-0.012000000000001624,0.8999999999999965,0.0,0.0,0.05555555555555782,-0.07932098765431969,-0.13260869565217398,-0.237654320987655,-0.01200000000000183,0.8999999999999965,0.0,0.0,0.18488051470588177,-0.013569750816993744,-0.09153212915601026,-0.34755412581699324,-0.08667279411764656,0.7725183823529418,0.0,0.0,0.9010754599761296,1.0223182692516501,0.9882023057015107,1.2269373150157605,0.9899349952079498,0.22495110304779892,0.0,0.0,0.9500000000000003,1.0555555555555562,1.0739130434782618,1.1611111111111119,0.9120000000000003,0.0,0.0,0.0,0.9499999999999996,1.0555555555555547,1.07391304347826,1.16111111111111,0.9119999999999996,0.0,0.0,0.0,0.9499999999999995,1.0555555555555547,1.07391304347826,1.16111111111111,0.9119999999999995,0.0,0.0,0.0,0.9500000000000001,1.0555555555555556,1.0739130434782609,1.161111111111111,0.912,0.0,0.0,0.0,0.9500000000000001,1.055555555555556,1.0739130434782613,1.1611111111111119,0.9120000000000003,0.0,0.0,0.0,0.8172794117647055,0.9211856617647056,1.018182544757033,1.3664981617647052,1.0184558823529408,0.0,0.0,0.0,28.149391721960683,14.074695860980343,20.43865032073008,28.149391721960683,3.1277101913289647,14.074699550888953,3.552713678800501E-15,0.14295299011466284,0.01588366556829587,-1.75071549890351,236.85246764534787,26.316940849483096,4.920693703123703,28.149391721960683,14.074695860980343,20.43865032073008,28.149391721960683,3.1277101913289647,14.074699550888953,3.552713678800501E-15,0.14295299011466284,0.01588366556829587,-1.75071549890351,236.85246764534787,26.316940849483096,4.920693703123703,28.149391721960683,14.074695860980343,20.43865032073008,28.149391721960683,3.1277101913289647,14.074699550888953,3.552713678800501E-15,0.14295299011466284,0.01588366556829587,-1.75071549890351,236.85246764534787,26.316940849483096,4.920693703123703,28.149391721960683,14.074695860980343,20.43865032073008,28.149391721960683,3.1277101913289647,14.074699550888953,3.552713678800501E-15,0.14295299011466284,0.01588366556829587,-1.75071549890351,236.85246764534787,26.316940849483096,4.920693703123703,28.149391721960683,14.074695860980343,20.43865032073008,28.149391721960683,3.1277101913289647,14.074699550888953,3.552713678800501E-15,0.14295299011466284,0.01588366556829587,-1.75071549890351,236.85246764534787,26.316940849483096,4.920693703123703,28.149391721960683,14.074695860980343,20.43865032073008,28.149391721960683,3.1277101913289647,14.074699550888953,3.552713678800501E-15,0.14295299011466284,0.01588366556829587,-1.75071549890351,236.85246764534787,26.316940849483096,4.920693703123703,31.466191719023588,15.326651889095242,22.619880738834976,31.41680900297421,3.490756555886023,15.326652989718225,-0.14814814814813815,0.3395576328909782,0.037728625876775355,-0.972100429419113,46.4460537569936,5.160672639665956,3.4544623543725845,0,11.900000000000002,12.100148700936508,-0.13601304900482092,0.06484135958535003,6.822750000000003,8.573995955000404,10.0,20.0,17.0,14.0,4.0,3.0,0.0,0.0,0.0,6.0,10.932069999999998,3.8747427372482903,3.186632042829987,2.73339063698717,2.306789784230799,2.1000021484251805,1.246116181860194,0.7532253900022754,0.7303156438415278,1.9475174023168944,1.7054241716461376,1.240737157195025,1.0105103895737502,0.6035629298265751,0.5839240361164295,0.2399168741063961,0.012160111013385086,3.8858117954126716,3.212730470539579,2.75832121908758,2.335813307407486,2.1561597029507262,1.3537830910360358,0.8817030454097791,0.8444364685735444,1.920092915043292,1.6396772377161437,1.16996558368558,0.9317520567646456,0.4647670093310141,0.455658087399403,0.07234240073420684,0.12189350350743526,3.9366938671774574,3.3302839720742656,2.8784592001510068,2.473080285407661,2.4033092967084717,1.7893000541269994,1.3985170174420758,1.302020466217318,1.8467728386525368,1.4468790610742595,0.9805123012665005,0.7119612212520486,0.08512348774818349,0.043359313221231016,0.509265774095044,0.6143886509903532,3.8940752432215056,3.2321227624472733,2.777249180621554,2.3576960707233026,2.1977005408176997,1.4312923178995798,0.9742048647538476,0.9265397320121118,1.9033353848260846,1.5978207785055005,1.12640037573244,0.88248626010653,0.3864658483171345,0.3562263065004828,0.04140594362785238,0.21538901642631858,3.963008157116135,3.3888342771423337,2.9431311913851705,2.5460239367476594,2.5208220070925056,1.9770546116754772,1.6184395918326895,1.4943028245018821,1.8258154502455866,1.3872828737297742,0.9281314751772807,0.6482203059922453,0.04283811781756596,0.22166137896560312,0.7246870282044577,0.8021607433980288,3.9237696075191275,3.2456544517992523,2.8482605109597006,2.3760366534449475,2.221987402200307,1.515214790827907,1.1299384757058373,1.0419278647691077,1.845567354652944,1.6414831504010836,1.071946556485055,0.7563720394259074,0.2852358710840621,0.26062874030098054,0.2053703045508098,0.3320210189940879,0,0,0,4,2,0,3,0,0,0.0,0.0,0.11785113019775793,0.25,0.2946278254943948,0.0,0.0,0.08838834764831843,0.12983985039374354,0.12767205771423776,0.3333333333333333,0.0,0.08333333333333333,0.0,0.20412414523193154,0.0,0.041666666666666664,0.0,0.9428090415820635,1.4999999999999996,1.4142135623730945,0.5243773949903288,0.7603103630798287,0.5852871903890683,6.104448006685084,4.4663264951887856,3.735520020930762,3.216326495188785,2.686765230950105,1.779039102362461,0.9368563506824814,0.5603954059492992,0.6782720007427872,0.44663264951887854,0.28734769391775095,0.1891956761875756,0.12794120147381452,0.08895195511812305,0.06245709004549876,0.043107338919176855,5.430721420318145,3.534457050376174,2.6222637190383074,2.0106161316565205,1.5145652119642952,0.8148091221704428,0.3975907926110376,0.21079022712632955,0.6034134911464606,0.3534457050376174,0.20171259377217748,0.11827153715626591,0.07212215295068072,0.04074045610852214,0.026506052840735837,0.016214632855871505,11.709139018929374,18.439184268026217,17.62745098039216,17.800000000000004,12.992772455089817,142.11205389221558,0.6162704746804933,0.9704833825276956,0.9277605779153769,0.9368421052631581,0.6838301292152535,7.47958178380082,2.1753,38.46700000000001,55.16228988980899,65.35541436518874,110.32457977961796,12.258286642179774,55.16228988980899,3.3306690738754696E-16,3.700743415417188E-17,-32.074369452908094,2000024.6626905112,222224.9625211679,13.0578030628141,70,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,3.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.869351851851851,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6106944444444444,0.0,1.0254166666666666,0.0,0.0,1.6106944444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.9639814814814818,0.0,0.0,8.735092592592594,0.0,0.0,0.0,0.0,3.1342592592592595,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5671296296296298,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3909722222222222,0.0,0.30680555555555555,0.0,0.0,0.3909722222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3017592592592593,0.0,0.0,2.1291203703703703,0.0,0.0,0.0,0.0,1.5671296296296298,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.238425925925926,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.414375,0.0,0.35930555555555554,0.0,0.0,0.414375,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.360462962962963,0.0,0.0,2.238425925925926,0.0,0.0,0.0,0.0,1.5671296296296298,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.833333333333334,1.7592592592592593,0.414375,2.238425925925926,0.13194444444444445,1.3017592592592593,5.149283611111111,0.19824074074074077,0.2384259259259259,1.470185185185185,0.19824074074074077,0.2384259259259259,1.470185185185185,4.5,0.5,0.0,0.0,0.48947,0.7,0.444,0.444,0.7,0.04547,0.04547,-0.0,0.0,0.71429,0.0,0.0,0.0,0.22222,0.0,11.0,1.22222,5.0,0.55556,6.0,0.66667,1.0,0.11111,0.0,0.0,5.05896,0.56211,9.28813,4.22917,0.46991,2.48601,0.27622,4.46631,1.9803,0.22003,-0.05231,-0.00581,0.11969,0.0133,0.47368421052631576,28.0,0,0,0,0,0,0,0.3333333333333333,0.9980008838722996,2.378991986900062,2.879506460812007,3.090032776601481,3.090032776601481,3.0900327766014803,18.962016793573692,45.20084775110118,54.71062275542813,58.71062275542813,58.71062275542813,58.710622755428126,0.23493830361132256,0.5600359185440833,0.6778614869719689,0.7274212582070506,0.7274212582070506,0.7274212582070505,3.2499266295712856,1.868935526543523,1.3684210526315783,1.1578947368421044,1.1578947368421044,1.1578947368421049,0.2206227953915795,0.5259112199656315,0.6365573167305404,0.6830972597742254,0.6830972597742254,0.6830972597742253,6.618775012237978,17.573374133029382,20.39194724724247,20.604120938189837,20.60412093818984,20.60412093818984,32.447850667802165,25.948563562612772,22.2217893081692,21.696346144614008,21.696346144614008,21.696346144614004,5.76,2.3195266272189348,0.9965397923875432,0,6,0,2.45,1.0305000000000006,0.0,0.0,0.0,0.0,9.480406828316529,8.052870516514686,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.11499999999999999,0.112,0.679,0.88,4.7509999999999994,13.0,17.0,21.0,20.0,15.0,13.0,11.0,0.0,0.0,129.0,2.6390573296152584,3.1570004211501135,3.6826098411003407,4.156928048523868,4.5251795602915985,4.2749284991175145,4.286599260502565,4.2749284991175145,0.0,0.0,6.113474746815066,3.4953972868217056,0.25,2.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,3.0,0.0,1.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0,3.0,4.0,0.3333333333333333,1.0,0.8888888888888893,0.3194444444444444,0.09722222222222221,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.06837606837606841,0.035493827160493825,0.024305555555555552,0.0,0.0,0.0,0.0,0.0,0.0,0.2281754510921178,17.79951893602085,25.817684729090015,35.5990378720417,3.9554486524490784,17.79951902132495,0.054477105106787105,0.0060530116785319004,-2.618977279823185,48.31496281906616,5.3683292021184625,3.489967171708539,0.0,120.6980268296002,4.169925001442312,3.8501476017100584,4.672828834461906,5.5093883366279774,6.3473892096560105,7.1891677384203225,8.030409562130485,8.873047798971067,9.715168043938537,10.55791989196796,83.74546701788432,3.044522437723423,0.0,4.290459441148391,2.3978952727983707,5.752572638825633,4.59511985013459,7.311218384419629,6.580639137284949,8.914760527397261,9.228180290104513,118.07825032,6.21464475368421,18.559054263270866,2.0621171403634295,0.0,0.0,0.0,79.0,9.0,2.8849999999999993,46.0,1.2349387818277175,2.136671487093277,2.954928225516344,3.9966020297487614,4.992498829322629,5.98711863641315,0.0,0.0,0.0,0.0,104.92914586388648,135.14102737623804,114.80611284785775,100.62901223848327,32.099161306355306,6.083295710188492,0.0,0.0,0.0,0.0,351.92229060136714,491.71986317839935,490.313946084891,524.6520479628747,359.0297876018062,186.10206557192606,0.0,0.0,0.0,0.0,9.077755618992416,15.50261419960652,21.074750789170203,28.261000681850746,34.51461104359766,40.22424102247085,0.0,0.0,0.0,0.0,2.515806180810322,3.6845013466041996,3.9869079822745888,4.6005598643964785,3.849772751442272,2.6619502086112345,0.0,0.0,0.0,0.0,171.17171863066338,309.88452461905143,453.8239587033382,630.2391965938612,845.7232647582313,1107.1239206361433,0.0,0.0,0.0,0.0,3.0533340151951274,4.67963777568664,5.6201279400783735,7.065764525448392,7.0004561839457855,5.98711863641315,0.0,0.0,0.0,0.0,0.5159558147780914,0.7627140666972804,0.8381436551339491,0.9795291980443106,0.8465337697836253,0.6130809483687067,0.0,0.0,0.0,0.0,254.49204328689953,108.73179850847515,10.882549794647149,116.01407523362633,-49.56704692817831,-5.15182046490247,138.4779680532732,158.29884543665347,16.03437025954962,0.6868767627998048,0.29346829397218577,0.02937211897634091,0.31312323720019547,-0.13378199292930792,-0.013904818860952396,94.29085915258676,40.28579662513102,4.03205128402106,42.98392470855915,-18.364894163884095,-1.9087810037656248,0.14520090055192011,0.14390827509112628,3.4980219091496463,1.7559798199586247,370.5061185205258,0.0,1.0,0.0,777.924729137761,27.8913020337481,9.19699306716897,875.6443391300594,29.591288230323116,9.567003102407783,1283.4564639727153,35.825360625857144,10.867434897789764,1.2408129144497675,1.1711542573653086,428.25302590553105,309.9090563862387,128.33261104890454,1.3818667673002774,3.3370553470803603,2.414889355505591,3.7003849014616876,3.843827416094219,6.243179936829459,0.6242092219565009,3.1157529064221965,1.883914241017634,15.160281654742667,6.059289579477465,13.31897483872292,5.68706224299193,3.6573433932109993,3.368426824784914,6.845137054242703,1.7854585996538008,0.05310146871731438,0.003267822332152122,2.2509511674603317E-25,3.721787852359245E-69,1.2364514088549568E-134,8.072034550995716E-222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2615880348465653,1.883787477729104,1.2543820123022713,3.4300541902890247,0.8379022955855217,3.497849969988952,1.2266113737720161,2.084560728642005,0.06230514938121943,0.1461114893138739,3.739981114658765E-4,2.3015539879772424E-5,1.5853633122087332E-27,2.6212856157211427E-71,8.708428371367563E-137,5.685199935487015E-224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.844183933770996,1.8837962459434077,3.6695538620741535,3.605758504443786,2.879771795003016,3.905389699446944,1.7117269713275491,2.337007855116443,0.5386052869268382,0.47412329012300614,0.003897347690686361,2.398396706217495E-4,1.6520708034753611E-26,2.7315817137647137E-70,9.074853786321638E-136,5.9244166639965E-223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.9410229781690256,1.8839004288141135,14.159216299001029,5.770627372961436,12.375963075536582,5.539128294651686,3.5046270818120964,3.286427174952725,6.108598632490686,1.6827591676272589,0.047312452698948335,0.0029115708655694226,2.0055569651122304E-25,3.316045971086449E-69,1.1016559447843235E-134,7.19203745972038E-222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2441177541263992,1.8838073444330652,5.453185715746889,3.8335560509055555,4.431628783332568,4.19682940380378,2.0480241874339655,2.5131604731242865,1.1352398542025124,0.7012569103326308,0.008465559664937637,5.209638135568104E-4,3.588518545798652E-26,5.933360494349618E-70,1.971179506599881E-135,1.2868624654020215E-222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.76269918395644,1.8839722528067704,19.036812937418404,7.273072173012097,17.01368389126152,6.2505910328981935,4.227221121940287,3.6758976614956884,9.937017414860893,2.1683650115735347,0.07744350115552344,0.0047658117563612445,3.282800729809729E-25,5.427877803189715E-69,1.803248176166776E-134,1.177230377012391E-221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7430902839159286,1.9943025432555872,7.2205357745568985,4.452636118896249,6.4039143293710765,4.550191211560606,2.5205811708156225,2.679374454847583,2.250012486681081,0.8576423581883927,0.017157217192075355,0.0010558415424438325,7.272879339960473E-26,1.2025189337927487E-69,3.995005327668757E-135,2.6080944876125762E-222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7298876148913624,1.8280704641271963,0.2608039976465184,0.6410105045967239,0.314168278414113,0.5616135680364067,0.5160264174658274,0.3158111214229446,5.818762076665077,8.26803506905654,15.86508852122773,0.46151575689508595,1.3934511069251787,2.6350372933691015,1.044453860470981,0.04226801729837987,0.708008544401077,0.28063445603104115,0.2803041479601991,0.16844450693316737,0.008295158561886996,3.7217591711384626,2.9076996692841117,6.745787815585714,0.5620128166016154,0.45704381345525347,2.9976715292422025,1.3040060736310817,0.11465159412182284,0.6787699457010209,0.29526921917830173,0.36276040976750634,0.262568156248983,0.06103239194772905,4.4163291969951075,4.4021760754503685,9.266676276482011,0.5181549185515315,0.6863609579642184,3.694121954056791,1.802472466237417,0.2536651102779312,0.6424269955845338,0.3134593241668997,0.5508949219285301,0.5016759970748152,0.29875863162677047,5.75025953057214,8.05284733888752,15.492149478173646,0.46364049337680074,1.3513295506301157,3.1861888428527108,1.438933860068491,0.15228036107358248,0.6669290407723046,0.3011958255967791,0.4098199068514359,0.31971716257715543,0.1076682457926003,4.777403063994784,5.289030365763674,10.764595486984975,0.5003935611584569,0.8372053152211916,3.8457418465740725,1.9109887989176066,0.283928676891438,0.6366427307568933,0.3163543409635121,0.5970431256350557,0.5639003632640389,0.37429780017935255,6.040659322383117,8.983670507726613,17.110969828711276,0.45496409613533995,1.535241289078447,3.7009624605227462,1.80525725968413,0.2539447378815526,0.6425098601700253,0.31340377046859935,0.5529371616736309,0.5032273371577812,0.2994176510507041,5.760164458088429,8.079464873243298,15.536282209472507,0.46376479025503803,1.3555821498821161 +UMLCN0453,L,tetrahydro-dicyclopentadiene,C1CC2C3CCC(C3)C2C1,Naphthenes,,C10H16,NREL (2014),IQT,UML,,20.4,0,-0.42760000000000087,0.18284176000000074,36.7954,28.268687999999976,0,0,26,10,16,0,10,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1458.8982339999982,1924.882859999999,3038.7057300000033,2123.8576899999966,1172.5880929999958,270.59155200000043,20.32128,0.0,0.0,4732.508928388178,6917.988682920252,11940.324887412198,11270.207401136442,7230.895498150547,3165.077171476426,621.6748886186051,0.0,0.0,182.90058400000007,204.36830400000002,432.27482400000025,641.1558160000012,541.7221639999999,330.469632,134.36927999999997,0.0,0.0,35.002806477583995,51.283508960000006,92.95547258909389,100.02494117092282,69.14490982911106,34.72004753577199,8.892258096980004,0.0,0.0,4226.625993287985,3971.493036486401,8904.216039429897,14529.33774205132,13051.926831634315,8240.145210936973,3698.3530404849803,0.0,0.0,36.611111111111114,47.41666666666667,93.0833333333333,123.99999999999996,99.25,58.0,20.0,0.0,0.0,56.11147053846147,68.74581642857139,50.64509550000005,23.339095494505457,15.033180679487126,5.637324000000009,1.016064,0.0,0.0,182.01957416877607,247.071024390009,199.0054147902033,123.84843297952135,92.70378843782753,65.93910773909221,31.083744430930256,0.0,0.0,7.034637846153848,7.298868000000001,7.204580400000004,7.0456683076923206,6.9451559487179475,6.884784,6.718463999999999,0.0,0.0,1.3462617875993845,1.8315538914285716,1.549257876484898,1.0991751777024485,0.8864732029373212,0.7233343236619164,0.44461290484900023,0.0,0.0,162.56253820338404,141.83903701737145,148.40360065716496,159.66305211045406,167.33239527736302,171.66969189452027,184.917652024249,0.0,0.0,1.4081196581196582,1.6934523809523812,1.5513888888888883,1.3626373626373622,1.2724358974358974,1.2083333333333333,1.0,0.0,0.0,0.03209181610060853,0.0018498956255238667,-0.006604406529145861,-0.021482071632908044,0.001599051795050134,-0.005569762229791428,0.014161384920967116,0.0,0.0,745.0215938461533,91.69496539644953,-98.85863456804756,-605.3300450000006,-46.56384961538469,-71.63669171597601,358.1834585798818,0.0,0.0,1385.3994673182933,170.5107036699444,-183.8318523941573,-1125.6370671961145,-86.58746670739467,-133.2114872421448,666.0574362107174,0.0,0.0,0.14594461538461523,0.01796241420118595,-0.019365727810647312,-0.11857999999999896,-0.009121538461540592,-0.014033136094676869,0.07016568047337061,0.0,0.0,6.1933802144553844,0.7622621802406802,-0.82181391307194,-5.032121424245002,-0.3870862634034783,-0.5955173283130349,2.9775866415650745,0.0,0.0,33.64253962122456,4.14062026107364,-4.464106218970397,-27.33456344224507,-2.1026587263264283,-3.2348595789637713,16.174297894819638,0.0,0.0,1.2222222222222225,-0.02777777777777843,-0.2500000000000009,-0.6388888888888875,0.08333333333333326,-0.3333333333333329,0.5555555555555559,0.0,0.0,0.0012343006192541742,6.606770091156666E-5,-1.1007344215243102E-4,-2.3606672124074773E-4,2.0500664039104282E-5,-1.1603671312065474E-4,7.080692460483558E-4,0.0,0.0,28.654676686390513,3.2748201927303406,-1.6476439094674593,-6.651978516483523,-0.5969724309664703,-1.4924310774161669,17.90917292899409,0.0,0.0,53.284594896857435,6.0896679882123,-3.063864206569288,-12.369638101056204,-1.1100957270178804,-2.7752393175446834,33.30287181053587,0.0,0.0,0.005613254437869817,6.415147928994982E-4,-3.227621301774552E-4,-0.0013030769230769118,-1.1694280078898195E-4,-2.923570019724348E-4,0.0035082840236685306,0.0,0.0,0.2382069313252071,0.027223649294310006,-0.013696898551198999,-0.05529803762906595,-0.004962644402608696,-0.01240661100652156,0.1488793320782537,0.0,0.0,1.2939438315855598,0.1478792950383443,-0.07440177031617327,-0.3003798180466491,-0.026957163158031133,-0.06739290789507857,0.8087148947409819,0.0,0.0,0.04700854700854702,-9.920634920635152E-4,-0.004166666666666681,-0.007020757020757005,0.0010683760683760674,-0.006944444444444436,0.027777777777777797,0.0,0.0,0.05352642612420307,-0.0891787952103134,-0.1912554507048623,0.016609133722619213,-0.0940100906623298,0.573660285835558,0.0,0.0,0.11428571428571416,-0.05750000000000017,-0.23214285714285754,-0.02083333333333338,-0.052083333333333134,0.6250000000000007,0.0,0.0,0.1142857142857147,-0.05749999999999973,-0.2321428571428574,-0.020833333333333655,-0.05208333333333381,0.6249999999999994,0.0,0.0,0.11428571428573042,-0.05749999999998945,-0.23214285714285537,-0.02083333333333822,-0.052083333333341975,0.6249999999999813,0.0,0.0,0.1142857142857169,-0.05749999999999828,-0.23214285714285723,-0.020833333333334234,-0.052083333333334834,0.624999999999997,0.0,0.0,0.11428571428571012,-0.05750000000000277,-0.23214285714285812,-0.02083333333333228,-0.05208333333333127,0.6250000000000054,0.0,0.0,-0.02110389610389659,-0.08863636363636393,-0.14935064935064898,0.0227272727272727,-0.1477272727272725,0.5909090909090912,0.0,0.0,1.2254479867533772,1.199584092816007,1.136462224923459,0.8902972381096433,0.9552207407027826,2.8410381228245672E-5,0.0,0.0,1.1607142857142871,1.2187500000000018,1.2053571428571448,0.885416666666668,0.8463541666666677,0.0,0.0,0.0,1.1607142857142854,1.2187499999999991,1.205357142857142,0.8854166666666661,0.8463541666666663,0.0,0.0,0.0,1.1607142857142854,1.2187499999999993,1.2053571428571432,0.8854166666666662,0.8463541666666664,0.0,0.0,0.0,1.160714285714286,1.2187499999999998,1.2053571428571415,0.8854166666666666,0.8463541666666669,0.0,0.0,0.0,1.1607142857142865,1.2187500000000004,1.2053571428571428,0.885416666666667,0.8463541666666675,0.0,0.0,0.0,1.3189935064935063,1.1647727272727264,1.067682317682317,0.8959790209790206,1.065340909090909,0.0,0.0,0.0,39.87611892431013,19.93805946215506,28.692174798775397,39.87611892431012,3.987611892431013,19.938059472712904,-7.105427357601002E-15,0.04889704977076975,0.004889704977076975,-3.0180382162074513,55.07549411421732,5.507549411421732,4.008704864308939,39.87611892431013,19.93805946215506,28.692174798775397,39.87611892431012,3.987611892431013,19.938059472712904,-7.105427357601002E-15,0.04889704977076975,0.004889704977076975,-3.0180382162074513,55.07549411421732,5.507549411421732,4.008704864308939,39.87611892431013,19.93805946215506,28.692174798775397,39.87611892431012,3.987611892431013,19.938059472712904,-7.105427357601002E-15,0.04889704977076975,0.004889704977076975,-3.0180382162074513,55.07549411421732,5.507549411421732,4.008704864308939,39.87611892431013,19.93805946215506,28.692174798775397,39.87611892431012,3.987611892431013,19.938059472712904,-7.105427357601002E-15,0.04889704977076975,0.004889704977076975,-3.0180382162074513,55.07549411421732,5.507549411421732,4.008704864308939,39.87611892431013,19.93805946215506,28.692174798775397,39.87611892431012,3.987611892431013,19.938059472712904,-7.105427357601002E-15,0.04889704977076975,0.004889704977076975,-3.0180382162074513,55.07549411421732,5.507549411421732,4.008704864308939,39.87611892431013,19.93805946215506,28.692174798775397,39.87611892431012,3.987611892431013,19.938059472712904,-7.105427357601002E-15,0.04889704977076975,0.004889704977076975,-3.0180382162074513,55.07549411421732,5.507549411421732,4.008704864308939,41.91428548696372,20.923186722751193,30.541490403073357,41.894285486963724,4.189428548696373,20.923186726743403,-0.03333333333331723,0.036900689713600665,0.0036900689713600665,-3.299525036684846,51.296673075165046,5.129667307516504,3.9376258977377563,0,11.899999999999999,12.100171725916232,-0.14238177507766125,0.05832720252080789,7.170363542071696,9.317072263785816,12.0,28.0,28.0,28.0,12.0,0.0,0.0,0.0,0.0,0.0,17.491311999999997,3.885868245944236,3.2790292116051907,2.6999009323706615,2.526005544091043,2.1906057964467878,2.1345299832696796,1.2063062112596246,1.1950150852223171,1.8781472124966858,1.783087533388969,1.5718422217012267,1.429550645063299,0.751493005952859,0.7336444614095231,0.6518955136883929,0.42669019119603757,3.903380431374889,3.3088319645399626,2.7329434002229323,2.57194002451346,2.2422671220746215,2.19115402047308,1.3146867717478383,1.3106239500514731,1.8303814147037867,1.7244291657624482,1.5028870287624796,1.353119765752561,0.6174006850347106,0.6054940000650944,0.5095966673582043,0.27060418653563384,3.9808235724485748,3.4404984349450807,2.8857108277970362,2.7760482492245924,2.472562646770451,2.4414704596318373,1.77087884276759,1.7531562505563714,1.695268295286608,1.5554508833121976,1.2983993061515018,1.1265305035924509,0.19070723797399322,0.17869737501294314,0.03631454318014678,0.26619968894539203,3.9162974006004596,3.3308291343787637,2.7577219936645596,2.6059683591369955,2.280608499054968,2.2330814946850146,1.3932617178098954,1.3926445611914429,1.8004540690055812,1.6873683002020126,1.45880386377416,1.3042201152134436,0.5282063601393081,0.5205766303513183,0.4144050302337451,0.16503882990043112,4.018965431136256,3.504815100139655,2.963685201790976,2.8752160287155557,2.58430308041837,2.561487283152524,1.967575194875513,1.943155252418991,1.6547075915655112,1.5040268623772295,1.2343443879839997,1.0559302335531295,0.05002385325175925,0.027963087563378074,0.12979916995549853,0.4636549824457183,3.934093953013406,3.4106335492895643,2.8076271583294807,2.712842127204707,2.3761467649273897,2.3478048085083687,1.6040121444313078,1.5828989006031122,1.7607108554525943,1.6070404994090808,1.3530102497536467,1.1923074659515096,0.33269072440499586,0.31980946777090835,0.19443493029045147,0.0716983445320444,0,0,0,0,0,0,6,4,0,0.0,0.0,0.3142696805273545,0.5499433047536865,0.9957819157813604,0.0,0.0,0.3142696805273545,0.5499433047536865,0.9957819157813604,0.6054988603092419,0.0,0.1916383190435099,0.0,0.6054988603092419,0.0,0.1916383190435099,0.0,1.7832398994339602,3.2384920221646945,3.743456942130204,1.7832398994339602,3.2384920221646945,3.743456942130204,6.552041763877789,4.949489742783178,4.591824721181544,4.349603133275805,4.018442912591639,2.6386054126573217,1.7872083600336817,1.0471371793527517,0.6552041763877788,0.4124574785652648,0.25510137339897465,0.16109641234354832,0.10303699775875998,0.06596513531643304,0.04468020900084204,0.029918205124364335,6.552041763877789,4.949489742783178,4.591824721181544,4.349603133275805,4.018442912591639,2.6386054126573217,1.7872083600336817,1.0471371793527517,0.6552041763877788,0.4124574785652648,0.25510137339897465,0.16109641234354832,0.10303699775875998,0.06596513531643304,0.04468020900084204,0.029918205124364335,14.334622430286998,25.102694828841948,23.80392156862746,24.079999999999995,16.388435928143707,197.71142994011979,0.5513316319341153,0.9654882626477672,0.91553544494721,0.926153846153846,0.630324458774758,7.604285766927684,2.832600000000001,41.66200000000001,69.06457753468737,80.68215567509756,138.12915506937472,13.812915506937474,69.06457753468737,0.10620887463978879,0.010620887463978879,-2.2423476083192773,63.62998505489353,6.362998505489353,4.153084822369513,84,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9999999999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.534722222222223,0.0,0.0,0.0,4.798611111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5578703703703705,0.0,0.0,0.0,1.1921296296296295,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6203703703703705,0.0,0.0,0.0,1.2071759259259258,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.333333333333334,1.4333333333333333,0.2,1.6203703703703705,0.2,1.1921296296296295,6.635145833333333,0.14120370370370378,0.12037037037037043,1.069444444444445,0.14120370370370378,0.12037037037037043,1.069444444444445,5.0,0.5,0.0,0.0,0.45385,0.7,0.45385,0.45385,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.0,0.4,0.0,6.0,0.6,6.0,0.6,0.0,0.0,-6.0,-0.6,0.0,0.0,10.7571,1.07571,10.7571,0.0,0.0,4.94947,0.49495,4.94947,0.0,0.0,-0.03547,-0.00355,0.22253,0.02225,0.38461538461538464,54.0,0,0,0,0,0,0,1.0,0.961236604722876,1.3346791410515946,2.276610871654405,2.902174814211728,3.0081320258334006,3.469670487371862,24.992151722794777,34.70165766734146,59.191882663014525,75.45654516950492,78.21143267166842,90.2114326716684,0.2044992941858259,0.28394772001871926,0.4843399784211567,0.6174262384455099,0.6399682170635393,0.7381587033189376,3.739203113418217,3.365760577089498,2.4238288464866877,1.7982649039293648,1.692307692307692,1.2307692307692308,0.19995124560336303,0.2776327445530767,0.4735682945331586,0.6036947263651512,0.6257353731115582,0.7217421105007163,6.796774065078518,11.278084501023141,17.09344305793953,16.559201849098592,19.521792229789423,19.986942244558655,38.708443915244516,34.44222537493734,26.811705801105333,27.40485967991314,22.818699413679006,21.433407539615786,5.625,1.7777777777777777,0.6145404663923183,0,0,0,2.56,1.1918000000000009,0.0,0.0,0.0,0.0,6.137143265222768,12.894839181882505,0.0,4.242640687119286,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.11499999999999999,0.14400000000000002,0.42100000000000004,0.604,4.92,18.0,27.0,39.0,40.0,40.0,35.0,25.0,10.0,0.0,256.0,2.5649493574615367,2.9444389791664403,3.332204510175204,3.6888794541139363,3.713572066704308,3.713572066704308,3.58351893845611,3.258096538021482,2.3978952727983707,0.0,5.54907608489522,1.0,0.25,3.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,1.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,6.0,0.0,3.0,1.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0,3.0,4.0,0.3333333333333333,1.5,1.333333333333334,0.375,0.09722222222222221,0.0,0.0,0.0,0.0,0.0,0.0,0.125,0.07407407407407411,0.0375,0.01944444444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.2560185185185186,19.93805946215506,28.692174798775397,39.87611892431012,3.987611892431013,19.938059472712904,0.04889704977076975,0.004889704977076975,-3.0180382162074513,55.07549411421732,5.507549411421732,4.008704864308939,0.0,144.44692885706687,4.321928094887363,4.110873864173311,5.017279836814924,5.937536205082426,6.85751406254539,7.781138509845015,8.703672758358856,9.627536402960045,10.550721676081666,11.47450683006617,92.06078014592781,3.2188758248682006,0.0,4.574710978503383,3.4339872044851463,6.137727054086234,5.777652323222656,7.806696372521179,7.8674885686991285,9.535679435605061,9.896211143565353,136.125200512,5.235584635076923,21.19820745878553,2.119820745878553,0.0,0.0,0.0,98.0,10.0,4.766,60.0,1.2924896712179577,2.2283508507984373,2.9858591214419783,3.77635175606714,4.528690064996877,5.50972986317662,0.0,0.0,0.0,0.0,102.40801333183767,120.37440476272812,75.94499063960984,62.431332306054614,27.42836828192586,5.598238163698689,0.0,0.0,0.0,0.0,351.0069595963156,463.3947059001383,389.84382861908813,367.4155035436217,312.9383375597025,171.26303495044644,0.0,0.0,0.0,0.0,9.47708482165375,16.09333474808667,21.091591400107724,26.271335522276267,31.247386567233363,37.016921735477055,0.0,0.0,0.0,0.0,2.539098225219761,3.5693184991606537,3.4109874378421723,3.4569785288183232,3.3902714948126427,2.44969699940024,0.0,0.0,0.0,0.0,180.62512548722117,327.9818277685728,472.70296376538903,628.6737035944838,771.9958165211871,1018.8463095865075,0.0,0.0,0.0,0.0,2.2446074739641095,3.5054630678769425,4.133566894962036,4.863840378919596,5.557762283203462,5.50972986317662,0.0,0.0,0.0,0.0,0.5219154400601015,0.7426254790051026,0.7261854898465923,0.7462568770778625,0.7469385371061318,0.564196337989286,0.0,0.0,0.0,0.0,339.8167834605409,149.84371771154755,9.348668414515007,83.74775883630981,-36.92894566963011,-3.9690628128245016,256.0690246242311,186.77266338117767,13.31773122733951,0.8022786364926267,0.35376832276609965,0.022071414108037146,0.1977213635073733,-0.08718611210791306,-0.009370621042312899,143.93434035125202,63.46848570855014,3.9597644580790745,35.4725811398886,-15.641791970062146,-1.681154273661461,0.06889940601417172,0.1186001489150064,1.284897215821072,2.4318392145600525,423.56454229685073,0.0,1.0,0.0,737.4350822119579,27.155755968338607,9.03457924408821,892.4276595205598,29.873527738125603,9.627739716468549,1358.4297886003806,36.85688251331602,11.075050932952019,1.2965324920009302,1.1610137611838287,467.2282866896546,404.95283810185055,184.143508738688,1.1537844477883152,2.5373052240070155,2.199115466386088,3.882984262130934,3.9561286570247836,6.603579601929712,0.6692024386527284,4.462408855681302,9.854515519727443,3.1235110869921465,24.77450422030198,13.85978133831656,12.789667917255438,16.38170080499244,8.191922508760863,4.376441798810736,1.1417482796789995,3.1523572949266594,0.6902169423979668,2.8990374686207774E-7,2.3536411624898053E-35,3.691694474937042E-85,1.1186772810715448E-156,6.548919196880966E-250,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3744990537334884,9.854261740434945,0.09590743538795941,9.534418755258836,3.1370274391401725,1.8164327267940232,0.8768963749507176,0.5100838212100101,0.2567133486535516,0.011168321884507252,0.022336304847231807,0.004861254361094036,2.041815793212161E-9,1.6576887153556647E-37,2.6000906039433265E-87,7.878935559553843E-159,4.612457337787863E-252,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.208928595455451,9.854279328440416,0.4134760130567527,11.17842305468913,4.428519598016993,3.578990535111313,2.998383543140197,1.7351585749441407,0.8885227202088564,0.0918314629998615,0.2317094483736009,0.05065801848941315,2.1277294813522015E-8,1.7274394498723573E-36,2.7094948773482315E-86,8.21045832217979E-158,4.806536168304957E-251,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.212149946844876,9.85448787984659,2.831881223533019,23.32260405663962,12.885924518822945,11.94903663995581,15.063396641163507,7.6003206880041265,4.050257002996193,1.0194302145485512,2.8087858594528727,0.6149708693265572,2.5829901915969437E-7,2.097051901899805E-35,3.289233313590665E-85,9.967213172808143E-157,5.834969100676092E-250,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7817383166607825,9.854301560827915,0.720680734458949,12.742510297720813,5.581500727752905,4.930655454144335,4.764517304821077,2.677963622681231,1.3843306292195863,0.19177563916375276,0.5029741543996927,0.11003598541918137,4.621712754812203E-8,3.752229317030979E-36,5.885384934263553E-86,1.7834212611631853E-157,1.044043883877739E-250,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.389004952355251,9.854631600601337,4.323960592445875,30.739423818587188,17.825938546628528,16.093872381325184,21.68188573505591,10.52011337662763,5.668153711885877,1.6549334972883036,4.596979797726756,1.0066165428135687,4.227973691882302E-7,3.432564436592965E-35,5.383989440442376E-85,1.6314856793924423E-156,9.550983170924186E-250,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1676103966633034,9.673073456502724,1.691937335659229,17.320032257622465,9.178956864156971,8.262446504221076,9.99904212418545,5.215673187009455,2.824973572139156,0.5656441546243223,1.534832814253857,0.3359628167431964,1.41110531193007E-7,1.1456338811470118E-35,1.796930788233282E-85,5.4451571279848046E-157,3.1876837626786744E-250,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.3688863646040295,1.4586585288151233,1.0159922353925062,0.5765149241533314,0.24961910854013106,0.5150464075059406,0.5043700521026913,0.4286403351464336,5.843537128811659,9.818802956061244,20.654981634758016,0.36477238622999714,1.4480567947550653,2.5277482283436217,0.9050324436941389,0.44773546428790867,0.6513948504636452,0.233224759774117,0.29036024316337494,0.19416473488740776,0.08359423189278278,3.8805161363256695,3.824671804134744,8.7294697456091,0.47709227569546786,0.5681192099435655,2.838946034381824,1.1100032415706074,0.6583425639243444,0.6161854150002689,0.2409231453417752,0.3660032219090959,0.2920724112583001,0.1804952473592519,4.607291839876776,5.751000691945553,12.432887492655325,0.4242781225004035,0.838570880526648,3.345595070762065,1.44334400326433,1.0002965415992455,0.5778992759824835,0.2493151253627718,0.5079593144294113,0.49383483920097143,0.41555634501136557,5.789235615625641,9.619203776413226,20.23871592806907,0.36684891397372527,1.4173504986417482,2.9868974650029374,1.2073887403730783,0.7583104967775632,0.6030972527409955,0.24378902886400167,0.40504627277359545,0.3455701950545518,0.23929632452661384,4.952596702153579,6.786917623919405,14.474244631862216,0.40464587911149313,0.9899127923547612,3.4427213428771637,1.5072015193180985,1.0657356829597722,0.57229334361903,0.25054638789829375,0.5378394439413952,0.5384987063151047,0.47143114165857325,6.015658545155034,10.464184260713164,22.009811875747896,0.35844001542854487,1.5477692919150732,3.3577538843238,1.4480987408685124,1.00568353264876,0.5777738954258131,0.24917658628256156,0.5116508893750734,0.4970938294492223,0.4200025760275895,5.811536157841073,9.695526017528374,20.397056724509362,0.36666084313871977,1.4287472948518851 +UMLCN0454,L,cyclopentanone,C1CCC(=O)C1,Ketones,Cyclic,C5H8O,NREL (2014),IQT,PubChem,,9,0,-0.7702000000000001,0.5932080400000002,20.2676,14.936344000000002,0,0,14,6,8,0,5,0,1,0,0,0.0,0.0,0.0,0.0,0.0,985.4171180000001,1010.3412979999998,1303.4262469999992,654.7421219999999,76.700736,0.0,0.0,0.0,0.0,2582.6452411584487,3338.2069417866196,4683.16435255031,3142.3043217529744,701.05945567303,0.0,0.0,0.0,0.0,104.80200799999997,104.67752,198.52631600000012,252.45612000000023,118.50623999999998,0.0,0.0,0.0,0.0,18.144607238791995,24.192194480000005,36.21834057939603,27.969815762187984,7.4744268021880025,0.0,0.0,0.0,0.0,2298.7642824464924,2012.2954905682006,4130.289808783397,5716.396351311989,2959.748931075588,0.0,0.0,0.0,0.0,68.77777777777777,35.41666666666667,61.41666666666666,85.66666666666666,40.0,0.0,0.0,0.0,0.0,70.386937,72.16723557142856,48.275046185185154,19.257121235294115,4.793796,0.0,0.0,0.0,0.0,184.47466008274634,238.44335298475855,173.4505315759374,92.42071534567572,43.816215979564376,0.0,0.0,0.0,0.0,7.485857714285713,7.476965714285714,7.352826518518523,7.425180000000006,7.406639999999999,0.0,0.0,0.0,0.0,1.2960433741994282,1.7280138914285719,1.341420021459112,0.8226416400643525,0.46715167513675016,0.0,0.0,0.0,0.0,164.19744874617803,143.7353921834429,152.9736966216073,168.1293044503526,184.98430819222426,0.0,0.0,0.0,0.0,4.912698412698412,2.529761904761905,2.274691358024691,2.519607843137255,2.5,0.0,0.0,0.0,0.0,0.11909534529862605,-0.04066936561347766,-0.004816364534415154,0.006081972760076499,-0.020143915261496698,0.0,0.0,0.0,0.0,480.0001234285715,2.7000623958883807E-13,-80.13717518367324,-260.0857620408163,100.22287551020375,0.0,0.0,0.0,0.0,703.2084279667109,1.5631940186722204E-13,-259.84244093218183,-450.25929870741425,358.4975256562395,0.0,0.0,0.0,0.0,1.0066937142857135,2.949029909160572E-16,0.06581640816326469,-0.2872595918367341,-0.2819036734693875,0.0,0.0,0.0,0.0,3.155024204053713,-1.4988010832439613E-15,-1.4762469829664497,-2.068416157651019,1.9671510385906148,0.0,0.0,0.0,0.0,17.605322023289407,5.773159728050814E-15,-8.537594237171028,-11.450020725380618,11.184953950906918,0.0,0.0,0.0,0.0,32.0793650793651,0.8769841269841274,1.0493197278911564,-9.240362811791389,-8.725623582766442,0.0,0.0,0.0,0.0,0.00850681037847329,-0.0029049546866769757,-1.783838716450057E-4,1.7888155176695584E-4,-0.0012589947038435436,0.0,0.0,0.0,0.0,34.28572310204082,1.9286159970631292E-14,-2.968043525321231,-7.649581236494597,6.263929719387734,0.0,0.0,0.0,0.0,50.22917342619364,1.1165671561944431E-14,-9.623794108599327,-13.242920550218066,22.406095353514967,0.0,0.0,0.0,0.0,0.07190669387755097,2.1064499351146942E-17,0.002437644746787581,-0.008448811524609827,-0.01761897959183672,0.0,0.0,0.0,0.0,0.22535887171812236,-1.0705722023171153E-16,-0.05467581418394258,-0.06083576934267703,0.12294693991191342,0.0,0.0,0.0,0.0,1.257523001663529,4.123685520036296E-16,-0.31620719396929736,-0.3367653154523711,0.6990596219316824,0.0,0.0,0.0,0.0,2.2913832199546498,0.06264172335600911,0.03886369362559838,-0.2717753768173938,-0.5453514739229026,0.0,0.0,0.0,0.0,-0.34148576933465463,-0.02096953660756455,0.02102804033573152,-0.14799844452034142,0.0,0.0,0.0,0.0,5.6251285449725E-16,-0.08656791389488185,-0.2231127286925812,0.18269790316934809,0.0,0.0,0.0,0.0,2.2229455116061553E-16,-0.1915977001441295,-0.2636499796214467,0.44607732568879144,0.0,0.0,0.0,0.0,2.929421200621102E-16,0.03390010881238145,-0.11749687086152513,-0.2450255830401529,0.0,0.0,0.0,0.0,-4.750521664202246E-16,-0.24261664857965207,-0.2699506297616278,0.5455606827216227,0.0,0.0,0.0,0.0,3.2792127973653207E-16,-0.2514524136345808,-0.267800521347822,0.5559020558724757,0.0,0.0,0.0,0.0,0.027337951509153885,0.016960800483808883,-0.11860756177780366,-0.23800098960910432,0.0,0.0,0.0,0.0,0.9688179068756094,0.6933783875285079,1.0428114925555114,1.4537338808490226,0.0,0.0,0.0,0.0,0.9522035355048051,0.9874703331160944,1.1421933897490109,0.7608047660832385,0.0,0.0,0.0,0.0,1.2118477669140997,1.2567310175405475,1.0887372244588618,0.1928330098754078,0.0,0.0,0.0,0.0,0.4677439130301515,0.48506776166089793,1.2419350767290873,1.8205601902465447,0.0,0.0,0.0,0.0,1.2956957155740607,1.3436844457805075,1.071474411499459,0.009415622181743265,0.0,0.0,0.0,0.0,1.2999837787757578,1.3481313261378232,1.070591574957933,3.548392803032164E-5,0.0,0.0,0.0,0.0,0.4414275111331022,0.490296332948485,1.247187618243734,1.8236021771400286,0.0,0.0,0.0,0.0,15.195187956228272,7.722593978114139,11.388895387967224,15.361854622894942,2.5603091038158237,7.723982561560795,0.25000000000000533,0.09722275718501427,0.016203792864169047,-1.398450280500869,28.21293258823948,4.702155431373247,2.0038682851427745,15.196930009215603,7.723097794157148,11.389766136423274,15.363107061948064,2.560517843658011,7.7244854171437085,0.24926557909869285,0.09716200286150103,0.016193667143583505,-1.3988253366038905,28.226744820865015,4.7044574701441695,2.004161955841163,16.74127641818818,8.171140970065075,12.251065332088235,16.475280099482827,2.7458800165804713,8.17193159144764,-0.3989944780580288,0.03680540661634369,0.006134234436057282,-1.9812663154058385,349.3110906197413,58.21851510329022,3.5135777413774107,15.19875832512264,7.723626562670789,11.390680221374812,15.3644215252686,2.5607369208780995,7.725013178594802,0.24849480021893822,0.09709822008718047,0.016183036681196746,-1.3992193407431492,28.241268678444396,4.706878113074066,2.0044706018940257,18.37983665618576,8.648771195923302,13.381155384098365,17.658307146626324,2.943051191104387,8.649236386389521,-1.082294264339156,0.03256428105436653,0.005427380175727755,-2.0547235586862516,33.180472347028314,5.530078724504719,2.1011769123341644,15.377620565852897,7.7753773758656,11.48120403469831,15.493043356438431,2.5821738927397386,7.776670014910901,0.1731341858783031,0.09075972692841477,0.015126621154735795,-1.4397237766780582,29.813971698302428,4.968995283050405,2.036986279543417,14.563390744743781,7.322768126261183,10.76772433330115,14.820745242098276,2.4701242070163794,7.325296460069477,0.7720634920634879,0.16235719018619327,0.02705953169769888,-1.0907738959397557,19.601650131802504,3.2669416886337506,1.7853682518544478,0,11.899999999999999,15.994915885592619,-0.2991860242421618,0.1877173944743164,4.01849783685441,6.400697372298719,6.0,14.0,13.0,13.0,5.0,1.0,1.0,0.0,0.0,1.0,9.703655999999999,3.6605530515112665,2.7214309282541627,2.459820994687678,1.5677485487080707,1.1900601602723209,0.08392307051869131,0.08392307051869125,0.08392307051869095,1.7241710785035254,1.6376608918442712,0.7578639354190901,0.62817654730572,0.1840199748451147,0.08392307051869055,0.08392307051869095,0.08392307051869125,3.6355937135539325,2.61361574163084,2.510897621120323,1.4617315656621486,1.3088559198117917,0.27091390189293785,0.2709139018929374,0.2709139018929373,1.6559760066687514,1.6373117289698096,0.6219497304774956,0.5562977730368636,0.26070461063752653,0.2709139018929372,0.2709139018929373,0.2709139018929374,3.761234391477238,2.8506400955464324,2.734801488790066,1.9174624007174919,1.7784680891728588,0.9439184268026224,0.9439184268026221,0.9439184268026218,1.4525836511201309,1.4493540723180625,0.17284907323754767,0.12872772065504348,0.2672445410658817,0.9439184268026215,0.9439184268026218,0.9439184268026221,3.6398458970992924,2.597400255333236,2.5485718485520454,1.4502164321413995,1.3935289897419554,0.39927724550898214,0.3992772455089821,0.3992772455089818,1.6399976150619078,1.6122857329828697,0.5456525904218964,0.5312606142931673,0.22301836711407996,0.39927724550898175,0.3992772455089818,0.3992772455089821,3.796387308738961,2.882748301494507,2.8418617348799287,2.0101392457161937,1.978039144454594,1.2076448229620884,1.207644822962088,1.2076448229620877,1.4235805178435603,1.3884283102424022,0.05571419274303878,0.016182923167949868,0.414695573756321,1.2076448229620873,1.2076448229620877,1.207644822962088,5.21226851553342,3.454535088769556,2.615153930733673,2.2234347169135975,1.5609614022034535,0.6521739130434789,0.6521739130434782,0.6521739130434779,1.5485606083446528,1.3836036852090576,0.36668515937508217,0.1758607635446881,0.5822696057980435,0.6521739130434776,0.6521739130434779,0.6521739130434782,0,0,0,1,0,0,4,0,0,0.0,0.0,0.14433756729740646,0.14433756729740646,0.0,0.0,0.0,0.125,0.051031036307982884,0.0,0.2886751345948129,0.0,0.0,0.0,0.10206207261596577,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.0,0.14433756729740646,0.15309310892394865,0.0,4.405777393935816,2.893846850117352,2.3896287658987125,1.643846850117352,1.1299361269508954,0.2886751345948129,0.0,0.0,0.734296232322636,0.482307808352892,0.3413755379855304,0.23483526430247886,0.16141944670727076,0.14433756729740646,0.0,0.0,3.736675415210053,2.4112309264184786,1.7457819157813603,1.161230926418479,0.7693375672974065,0.10206207261596577,0.0,0.0,0.6227792358683422,0.40187182106974645,0.24939741654019434,0.16589013234549702,0.10990536675677236,0.051031036307982884,0.0,0.0,7.882110319560352,13.88201019664967,13.250980392156867,13.440000000000005,8.674457485029938,107.01023592814373,0.5630078799685966,0.9915721569035478,0.9464985994397762,0.9600000000000003,0.619604106073567,7.643588280581695,1.1295,23.47499999999999,18.099258253048557,25.291618651911566,36.19851650609712,6.03308608434952,18.099258274357453,0.06483357154617175,0.010805595257695292,-1.6415590382186909,30.976184639674106,5.162697439945684,2.0599312030858097,29,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.243055555555555,0.45370370370370394,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4145833333333333,0.8027777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.9699074074074074,0.0,0.0,0.0,0.0,0.0,0.0,0.45370370370370394,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.243055555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.243055555555555,0.45370370370370394,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3059027777777778,0.4013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8472222222222221,0.0,0.0,0.0,0.0,0.0,0.0,0.45370370370370394,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.243055555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.243055555555555,0.45370370370370394,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4013888888888889,0.4013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1377314814814814,0.0,0.0,0.0,0.0,0.0,0.0,0.45370370370370394,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.243055555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.666666666666668,2.4444444444444446,0.5659722222222223,10.243055555555555,0.3059027777777778,0.45370370370370394,1.849523148148148,1.2129629629629628,3.243055555555556,6.486111111111112,1.2129629629629628,3.243055555555556,6.486111111111112,2.83333,0.47222,0.0,0.02778,0.52619,0.82778,0.43333,0.52619,0.82778,0.09286,0.0,-0.09286,0.0,0.57047,0.14382,0.0,0.11765,0.17647,0.0,4.75,0.79167,3.25,0.54167,1.5,0.25,-1.75,-0.29167,0.0,0.0,3.68665,0.61444,5.2306,1.54395,0.25733,2.20568,0.36761,2.89384,0.68816,0.11469,0.02016,0.00336,0.10616,0.01769,0.35714285714285715,6.01,1,1,1,1,0,0,0.8,1.2638091738835462,1.8073549220576042,2.3787834934861753,2.378783493486176,2.378783493486176,2.378783493486176,17.693328434369647,25.30296890880646,33.302968908806456,33.30296890880646,33.30296890880646,33.30296890880646,0.33193889189625314,0.47470092992561297,0.624786378518295,0.6247863785182951,0.6247863785182951,0.6247863785182951,2.5435457481740578,1.9999999999999996,1.4285714285714284,1.428571428571428,1.428571428571428,1.428571428571428,0.32348209988375715,0.46260699598016236,0.608868724442914,0.6088687244429141,0.6088687244429141,0.6088687244429141,11.180950466987653,17.70349944507635,18.279399463362065,18.27939946336206,18.27939946336206,18.279399463362065,21.78168417597741,17.123337155661297,17.563668762386772,17.563668762386772,17.563668762386772,17.563668762386772,4.166666666666667,1.6326530612244898,0.9795918367346939,0,1,0,1.8999999999999997,0.7202000000000003,0.0,0.0,0.0,0.0,4.242640687119286,2.8284271247461903,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.405,0.403,0.748,0.387,3.245,7.0,7.0,7.0,2.0,0.0,0.0,0.0,0.0,0.0,35.0,2.0794415416798357,2.302585092994046,2.302585092994046,2.302585092994046,1.6094379124341003,0.0,0.0,0.0,0.0,0.0,3.8066624897703196,1.2571428571428571,0.3333333333333333,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0,2.0,3.0,0.5,1.0,0.44444444444444464,0.2222222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.16666666666666666,0.06349206349206352,0.1111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3412698412698413,8.821870029750569,12.988302897090321,17.643740059501138,2.9406233432501896,8.822274636871278,0.053128175458597326,0.008854695909766222,-1.7610287281113652,43.83078249038853,7.305130415064755,2.268201820272446,17.07,88.83369112909456,3.584962500721156,3.295836866004329,4.007333185232471,4.762173934797756,5.493061443340548,6.251903883165888,6.98933526597456,7.747164966520335,8.487764380725425,9.243871855184976,68.27844578094629,2.5649493574615367,0.0,3.713572066704308,2.3978952727983707,5.017279836814924,4.442651256490317,6.385194398997726,6.22455842927536,7.7886260656250315,8.24564690087386,84.057514876,6.0041082054285715,11.57549816824563,1.929249694707605,2.4612337456728106,2.4612337456728106,0.0,26.0,2.0,0.351,26.0,1.4272484004996961,2.522779341607588,3.3277686950595595,4.101489996745087,0.0,0.0,0.0,0.0,0.0,0.0,126.9809916730303,143.70082696728778,78.47407462027903,22.97038935239517,0.0,0.0,0.0,0.0,0.0,0.0,395.13805199751795,478.9146830520599,332.43768105574,190.86335992579734,0.0,0.0,0.0,0.0,0.0,0.0,10.760381747370939,18.817525929112833,25.143020198223155,30.980990883877805,0.0,0.0,0.0,0.0,0.0,0.0,2.759616845313602,3.5766098055278075,2.827553324229524,1.935758244602747,0.0,0.0,0.0,0.0,0.0,0.0,200.55630454311293,380.92747488355553,556.2826925470628,758.7696696413408,0.0,0.0,0.0,0.0,0.0,0.0,3.8213262324442914,6.473365110114551,9.480198072733888,11.567482695674911,0.0,0.0,0.0,0.0,0.0,0.0,0.5888779395667935,0.8009592311443898,0.7078206192014843,0.5474121843950992,0.0,0.0,0.0,0.0,0.0,0.0,261.4321159829906,102.24536593476851,13.29286726158061,66.32805299615961,-25.94071514447865,-17.932277712561486,195.10406298683097,128.18608107924717,31.225144974142097,0.7976323566016377,0.31195177331408025,0.04055668906622454,0.2023676433983622,-0.07914541667852512,-0.05471158307128591,85.6870345111618,33.51195841611478,4.356872419873075,21.739693858079306,-8.502333179194324,-5.8774863732502025,0.3391488624533777,0.7649521076723172,18.37712923630358,44.96417300506161,268.9797923332401,58.78037664591013,0.8206604029129319,0.179339597087068,301.51232657209266,17.36411030177166,6.705559553995528,379.00861522639383,19.46814359990171,7.236852049828605,446.52897394886685,21.131232191920727,7.6433406323862805,1.3452439238114295,1.3283934672568585,319.56421690549485,259.1459803098781,91.37012881001056,1.2331436378961798,3.497469261206549,2.8362221185955683,3.831034840386074,3.649051611898809,5.701368409960396,0.5624247109493882,2.231204427497513,2.595841450193172,1.457328554746089,6.4429296990609375,6.7331811162122905,6.49312440825137,2.7529087768243867,3.635368368887191,0.642182098212785,0.6886997606117105,1.3394995701147163E-4,1.995991547084438E-28,5.736769325952291E-74,3.180182049172673E-141,3.400262776463135E-230,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.18724952652822147,2.9277020022208324,0.7101070488349879,2.173112608224897,1.4276487536380724,1.2138600317631092,2.1973704178076234,0.2077520959580509,0.8313333369464614,0.07698834230438022,1.4973992633444508E-5,2.2312782616197662E-29,6.413017483777411E-75,3.555060683837758E-142,3.801084442466382E-231,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6044642973806298,2.3104837024306866,0.8430918116171093,2.782963693504542,1.5489561416177564,1.8795777990469553,1.2852965878742295,0.4818557501991187,0.44871809776798643,0.13336602989244825,2.5939277160509164E-5,3.8652179593773726E-29,1.110919726081284E-74,6.158391195847958E-142,6.584575355234051E-231,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1060749730838926,2.9264858526558912,1.4046719114780482,6.088950365644456,6.598251392698313,6.036280743565344,3.208038895424417,3.862213918289783,0.8529022365701676,0.8650324638676317,1.682461182296312E-4,2.5070394743564796E-28,7.205595222308514E-74,3.994426702137977E-141,4.27085626501274E-230,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8908691579800376,2.0759388334022324,0.9401832385823271,3.2793143462318284,1.9042574799666145,2.4558131420729787,0.9984375386877723,0.6474869564577387,0.3027068991113552,0.13205729281832038,2.568473187845074E-5,3.8272881053726174E-29,1.1000181356757448E-74,6.0979581539295905E-142,6.519960116318116E-231,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.694502475837395,2.8053047372775186,1.660140776452148,7.858678240919552,9.101284433518078,8.397828357436428,3.5736506598633206,5.291825596993184,0.7815898898392053,1.0058520817690362,1.9563509502775188E-4,2.915163279634437E-28,8.378602257698764E-74,4.64468396464035E-141,4.966113810217374E-230,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4234999892481146,6.489314297644025,1.146535203195239,4.5331773554271715,7.565356959417942,4.004218800087687,8.009007469641741,5.8979031062080125,2.8375642551195153,2.0504766029554835,3.9881130868254784E-4,5.942696950204139E-28,1.7080173323960035E-73,9.468405911998033E-141,1.0123655714422377E-229,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.182467205832085,1.6963386919444288,0.6236395756487565,0.4847292918289927,0.3767594081831103,0.3475504867203678,0.4545828052552411,0.4306060780953191,4.50244547342527,6.121180429266051,12.932466563028534,0.2922330500181545,1.232739370070928,3.4166003338296504,0.9066384231897606,0.18624972299326786,0.7576469812425476,0.2010512782565555,0.7889353742012711,0.11821499648031607,0.03619446326041617,4.509488480012679,3.902823160261549,8.989242719413076,0.6364704718638213,0.9433448339420034,2.365528734720176,1.2620312386447854,0.35511628433082576,0.5939545626258795,0.3168801973813821,0.3810461490201691,0.23030910341896635,0.13631567777596518,3.9826762576957875,4.27357677805733,9.316406949131324,0.39093184393881936,0.7476709302151007,2.4279896725607655,1.6405853742331287,0.6023716818919743,0.5198067573003257,0.35123187429172276,0.41099422640281263,0.40505837102653136,0.39663650417660923,4.670946728685869,6.434118739433231,13.504507253694767,0.3065579473880727,1.2126891016059531,1.999844571716802,1.429656418551225,0.4366789809491589,0.5172662903965106,0.3697852736278926,0.27717051024817757,0.30055251987286163,0.2103619172768544,3.866179971217186,4.356681625654125,9.471366378773734,0.3305773460366049,0.7880849473978936,2.2360364804734782,1.7423817777659472,0.6583357636440562,0.4822417729990311,0.37577619376457233,0.3690628129770898,0.4862910665804498,0.4797834167466306,4.6367540218834815,6.515164240130399,13.716813632423417,0.28702695014540514,1.33513729630417,2.4993865779304065,1.6326832555430641,0.6018767894783643,0.5279710096038056,0.34488839557827766,0.4333361419780871,0.39900208239535606,0.39468574687552166,4.733946622951835,6.567703540187467,13.757732759328102,0.30928910777312496,1.2270239712489648 +UMLCN0455,L,ocimene,CC(=CCC=C(C)C=C)C,Alkenes,,C10H16,NREL (2014),IQT,PubChem,,28,0,3.2402999999999995,10.499544089999997,49.715900000000005,28.268687999999976,0,0,26,10,16,0,10,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1458.8982339999982,1492.0904969999995,1708.066761999998,1547.6361679999986,1227.9526619999972,967.6979810000003,892.937645,556.9163059999998,145.45641600000002,4732.508928388178,5647.437977672263,6986.559150014416,7246.209404436809,6468.652790781885,5053.1884474820245,4044.3329435964183,3433.406852511932,1893.3760300475114,182.90058400000007,181.74675600000006,298.778536,328.3991360000001,399.0614639999999,353.936948,224.29029200000016,185.10586400000005,232.41945600000017,35.002806477583995,42.91680896000001,56.164172463339035,60.61229534909405,58.13873749152709,46.43745891577208,34.64515669788601,30.96500062969801,21.806152816375985,4226.625993287985,3591.1099682164013,6517.61123513764,7023.782287678296,9301.303469058928,8567.871895961174,5213.412029057186,3992.120065912299,5969.249125710977,56.80555555555556,65.0,87.0,98.66666666666667,100.61111111111111,84.33333333333334,58.66666666666667,57.33333333333333,50.0,56.11147053846147,59.68361987999998,40.668256238095196,33.6442645217391,21.543029157894686,18.974470215686278,27.90430140625,21.41985792307692,4.278129882352942,182.01957416877607,225.8975191068905,166.34664642891468,157.52629140080018,113.48513668038396,99.08212642121616,126.38540448738807,132.05410971199737,55.687530295515046,7.034637846153848,7.269870240000002,7.113774666666666,7.1391116521739155,7.001078315789472,6.939940156862744,7.009071625000005,7.119456307692309,6.835866352941181,1.3462617875993845,1.7166723584000005,1.3372422015080723,1.3176585945455228,1.0199778507285453,0.9105384101131782,1.0826611468089378,1.1909615626806926,0.6413574357757642,162.56253820338404,143.64439872865606,155.1812198842295,152.69091929735424,163.18076261506891,167.99748815610147,162.91912590803707,153.54307945816535,175.5661507562052,2.18482905982906,2.6,2.0714285714285716,2.1449275362318843,1.7651072124756335,1.6535947712418302,1.8333333333333335,2.205128205128205,1.4705882352941178,0.06712398206814438,-0.0029258530514688426,-0.010040433681023999,-0.03555114159449935,0.001742394391043528,0.013691657215327613,0.00762879116046049,-0.023893881309267746,-0.0018181074466134767,745.0215938461533,-45.84748269822498,53.727518786982095,-442.71475480473373,-115.33507366272153,214.91007514792895,107.45503757396446,-502.88957584615383,143.27338343195274,1385.3994673182933,-85.25535183497142,99.90861543160803,-823.2469911564474,-214.4704944598518,399.63446172643035,199.81723086321534,-935.1446404398481,266.42297448428656,0.14594461538461523,-0.00898120710058967,0.010524852071007106,-0.08672478106508694,-0.02259334911242652,0.0420994082840221,0.021049704142011592,-0.09851261538461442,0.028066272189346875,6.1933802144553844,-0.3811310901203173,0.4466379962347714,-3.6802970889744397,-0.9587828985839623,1.786551984939043,0.8932759924695248,-4.180531644757381,1.19103465662602,33.64253962122456,-2.0703101305370186,2.426144684222856,-19.991432197997014,-5.2081239221318505,9.704578736891804,4.852289368445869,-22.708714244326636,6.4697191579279405,7.419871794871791,-1.9047912557527935,1.3922583826429984,-3.2321663379355687,-0.837154832347142,1.119781393819855,1.842209072978304,-2.6185897435897427,-1.1879520052597017,0.002581691618005553,-1.1703412205875371E-4,-2.390579447862857E-4,-7.728509042282467E-4,3.056832264988646E-5,2.684638669672081E-4,2.383997237643903E-4,-9.189954349718364E-4,-5.347374842980814E-5,28.654676686390513,-1.8338993079289991,1.279226637785288,-9.624233800102907,-2.023422344960027,4.213923042116254,3.3579699241863894,-19.34190676331361,4.213923042116257,53.284594896857435,-3.4102140733988566,2.378776557895429,-17.896673720792336,-3.7626402536816106,7.835969837773144,6.2442884644754795,-35.967101555378775,7.835969837773134,0.005613254437869817,-3.592482840235868E-4,2.505917159763597E-4,-0.0018853213275018899,-3.9637454583204423E-4,8.254785938043549E-4,6.578032544378623E-4,-0.003788946745562093,8.254785938043199E-4,0.2382069313252071,-0.015245243604812693,0.010634238005589795,-0.08000645845596609,-0.01682075260673618,0.035030431077236135,0.02791487476467265,-0.16078967864451466,0.03503043107723588,1.2939438315855598,-0.08281240522148074,0.057765349624353715,-0.43459635213036985,-0.09137059512512019,0.1902858575861138,0.1516340427639334,-0.8734120863202552,0.1902858575861159,0.2853796844181458,-0.07619165023011173,0.03314900911054758,-0.07026448560729497,-0.014686926883283194,0.021956497918036375,0.057569033530572,-0.10071499013806703,-0.03493976486057946,-0.045332339944290735,-0.0925974051738086,-0.2993583349917296,0.011840423711605631,0.10398758127998486,0.09234244791349729,-0.3559663859782728,-0.020712678484473092,-0.06400000000000022,0.04464285714285704,-0.33586956521739153,-0.07061403508771913,0.14705882352941183,0.11718750000000004,-0.6750000000000005,0.14705882352941194,-0.06399999999999964,0.04464285714285729,-0.33586956521739136,-0.0706140350877195,0.1470588235294116,0.11718749999999997,-0.6750000000000002,0.1470588235294114,-0.06399999999998549,0.04464285714286224,-0.3358695652173846,-0.07061403508772089,0.14705882352940644,0.11718749999999878,-0.674999999999994,0.1470588235294002,-0.06399999999999764,0.04464285714285795,-0.3358695652173904,-0.07061403508771957,0.1470588235294109,0.11718749999999976,-0.6749999999999995,0.14705882352940983,-0.0640000000000038,0.04464285714285588,-0.3358695652173932,-0.07061403508771892,0.14705882352941335,0.11718750000000049,-0.6750000000000018,0.147058823529415,-0.26698344132469404,0.1161575645376942,-0.2462140420070743,-0.051464514417794094,0.07693784497240223,0.20172786177105845,-0.352915766738661,-0.12243255833651003,1.2077806983450394,1.1680837260574646,1.4220519509841831,0.8428725472088312,0.8089286438457517,0.9678085019289705,1.2485392685485106,0.7671390328619051,1.3000000000000016,1.0156250000000013,1.4130434782608716,0.997807017543861,0.7169117647058832,0.8251953125000009,1.7187500000000024,0.5974264705882358,1.2999999999999996,1.0156249999999993,1.4130434782608687,0.997807017543859,0.7169117647058821,0.8251953124999999,1.7187499999999991,0.5974264705882353,1.2999999999999996,1.0156249999999996,1.4130434782608687,0.9978070175438593,0.7169117647058821,0.8251953124999998,1.7187499999999991,0.5974264705882353,1.3000000000000003,1.0156250000000002,1.4130434782608696,0.99780701754386,0.7169117647058826,0.8251953125000002,1.7187500000000004,0.5974264705882355,1.3000000000000012,1.015625000000001,1.4130434782608703,0.9978070175438603,0.716911764705883,0.8251953125000006,1.718750000000002,0.5974264705882356,1.5274298056155515,0.7086290239637977,1.167871787648293,0.9942151996261356,0.7909484888267766,0.643448524118071,1.4830813534917215,1.3873713632321187,49.265334520698204,24.632667260349102,38.37108248920766,49.265334520698204,4.926533452069821,24.632667260431987,0.0,0.050426006247806576,0.005042600624780657,-2.987248240005189,43.03206753004659,4.303206753004659,3.76194559426806,49.265334520698204,24.632667260349102,38.37108248920766,49.265334520698204,4.926533452069821,24.632667260431987,0.0,0.050426006247806576,0.005042600624780657,-2.987248240005189,43.03206753004659,4.303206753004659,3.76194559426806,49.265334520698204,24.632667260349102,38.37108248920766,49.265334520698204,4.926533452069821,24.632667260431987,0.0,0.050426006247806576,0.005042600624780657,-2.987248240005189,43.03206753004659,4.303206753004659,3.76194559426806,49.265334520698204,24.632667260349102,38.37108248920766,49.265334520698204,4.926533452069821,24.632667260431987,0.0,0.050426006247806576,0.005042600624780657,-2.987248240005189,43.03206753004659,4.303206753004659,3.76194559426806,49.265334520698204,24.632667260349102,38.37108248920766,49.265334520698204,4.926533452069821,24.632667260431987,0.0,0.050426006247806576,0.005042600624780657,-2.987248240005189,43.03206753004659,4.303206753004659,3.76194559426806,49.265334520698204,24.632667260349102,38.37108248920766,49.265334520698204,4.926533452069821,24.632667260431987,0.0,0.050426006247806576,0.005042600624780657,-2.987248240005189,43.03206753004659,4.303206753004659,3.76194559426806,59.916797790011984,29.801732228339315,47.04919549123266,59.6661311233453,5.966613112334528,29.80173222833975,-0.3133333333333539,0.07611923913958812,0.007611923913958813,-2.5754542321429232,43.409261324909735,4.340926132490973,3.7706728129241474,0,11.789999999999996,12.210078787155572,-0.2929589622138824,0.12836754848860635,5.548211490478955,8.526698755965892,9.0,25.0,22.0,22.0,6.0,3.0,3.0,0.0,0.0,3.0,17.491311999999997,3.6390153383916783,3.4116431418212625,2.865023254523962,2.5729379554440133,2.333552793103048,2.0374516478703186,1.479512133686115,1.0867593362251788,1.9092583113237638,1.7502555698643156,1.4098704235704467,1.3194096495700498,1.2496297225843565,0.8305493207029501,0.5521063819881422,0.4021095621248277,3.6552447472865914,3.43156932328764,2.9002151230316255,2.6261516551211925,2.4054545878412883,2.0976820659005813,1.5612631700419461,1.1957557325522452,1.8653241919830665,1.6951561759312639,1.3296058452603605,1.21873815224477,1.1345406859483513,0.7271596698815104,0.41659331478694256,0.24773068084286148,3.7296823361309484,3.524206697806654,3.059534419361086,2.858051875375501,2.70423698723352,2.3513330644009964,1.9086397440204894,1.6418842411387844,1.7451920137727968,1.5436924923999094,1.09196607985388,0.9034165004338189,0.7603185604308981,0.3995401337150346,0.025331595601969115,0.2764895098691809,3.6673582191646665,3.4465158140935688,2.9264297244768267,2.6653400519049257,2.457539916041696,2.141516872249113,1.6210454451926328,1.2745525973401808,1.838185270768441,1.6609747880023966,1.2782116062730668,1.152869823405047,1.0582626705327118,0.6594057435182727,0.3265802689689547,0.14371801003495926,3.76792553860922,3.572320790601346,3.1388579867286324,2.9679470706182185,2.8389820851496483,2.467502902401689,2.067483474638755,1.8366624483249476,1.7103202355264155,1.499951540832504,1.0186044846426452,0.7999184079662596,0.6313372621875625,0.2889574791256774,0.1769221001122107,0.46535922503443033,3.6598244239380477,3.460057684944009,3.052507611825583,2.6797754970011023,2.506603876117913,2.1827423120506237,1.6416892304814354,1.368117109029819,1.873404554315834,1.6475016604948853,1.2156532875213173,1.0485614617370143,0.9939988341011072,0.6016532555588986,0.2777267316480411,0.040390459431070974,0,0,1,3,2,3,1,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696923425058676,0.0,0.0,0.0,0.4553418012614796,0.0,0.0,0.0,0.7814744144215573,0.5525858577612696,0.34552203082849775,0.4398264056274474,0.26922584527506843,0.14105877840333636,7.983127663125442,4.663902460147014,3.8381705158866537,2.1753212645389093,1.0786852784228906,0.5812242912240136,0.48570226039551584,0.16666666666666666,0.7983127663125442,0.5182113844607793,0.38381705158866536,0.27191515806736366,0.17978087973714843,0.11624485824480273,0.09714045207910317,0.08333333333333333,7.146264369941973,3.590770275176028,2.6694419011372283,1.2879011017187578,0.5638536707694632,0.2589099086010943,0.20994877315796953,0.048112522432468816,0.7146264369941973,0.3989744750195587,0.26694419011372283,0.16098763771484473,0.09397561179491054,0.05178198172021886,0.041989754631593906,0.024056261216234408,14.334622430286998,25.102694828841948,23.80392156862746,24.079999999999995,16.388435928143707,197.71142994011979,0.5513316319341153,0.9654882626477672,0.91553544494721,0.926153846153846,0.630324458774758,7.604285766927684,3.2535700000000025,47.19200000000003,30.214244817320285,47.274778300357305,60.42848963464057,6.042848963464056,30.214244817320562,0.023379475851008136,0.0023379475851008137,-3.7558967418803584,45.14103234512216,4.514103234512216,3.8097916409799426,98,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,3.0,0.0,0.0,0.0,4.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,1.0,1.0,0.0,3.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.527592592592594,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4165625,1.058059807256236,0.0,0.0,0.0,1.389266581632653,0.0,1.4746223072562359,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.277777777777778,3.6693868102796676,1.027962962962963,0.0,6.241898148148148,0.0,0.0,0.0,0.0,2.6163076341647775,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2476851851851853,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4165625,0.3219444444444445,0.0,0.0,0.0,0.31623051303854877,0.0,0.3219444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0613425925925926,3.6693868102796676,1.027962962962963,0.0,1.8738425925925926,0.0,0.0,0.0,0.0,1.2476851851851853,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.6693868102796676,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4165625,0.3963931405895692,0.0,0.0,0.0,0.4061805555555556,0.0,0.4165625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1082175925925926,3.6693868102796676,1.027962962962963,0.0,2.201388888888889,0.0,0.0,0.0,0.0,1.368622448979592,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.833333333333336,1.9833333333333336,0.4165625,3.6693868102796676,0.09027777777777779,1.027962962962963,5.75317525888133,0.4720370370370371,0.6693868102796674,2.6304402872260013,0.4720370370370371,0.6693868102796674,2.6304402872260013,5.0,0.5,0.0,0.0,0.45385,0.7,0.425,0.425,0.7,0.02885,0.02885,-0.0,0.0,0.71429,0.0,0.0,0.4,0.2,0.0,8.5,0.85,4.5,0.45,4.0,0.4,-0.5,-0.05,0.0,0.0,7.5806,0.75806,11.92589,4.34529,0.43453,2.78483,0.27848,4.66389,1.87906,0.18791,0.25011,0.02501,0.25011,0.02501,0.0,9.0,0,0,0,0,0,0,0.4,0.961236604722876,2.530506034232994,3.2954656791802917,3.5843031793467124,3.5073801024236353,3.459491160199153,24.992151722794777,65.79315689005784,85.68210765868758,93.19188266301452,91.19188266301452,89.94677016517798,0.2044992941858259,0.5383551722760411,0.7010973178661606,0.7625463561447854,0.746181275102219,0.7359930916351154,3.739203113418217,2.1699336839080985,1.404974038960801,1.1161365387943802,1.1930596157174573,1.2409485579419397,0.19995124560336303,0.5263821946289557,0.6855049674114334,0.7455873838024402,0.729586260904247,0.7196246618542678,6.796774065078518,19.56683243148466,22.34803004001459,21.47442749359579,20.551350570518863,19.97668326382508,38.708443915244516,23.37247250544608,18.750348772869007,19.75213652254045,20.998493315528645,22.1676674799259,10.0,5.76,7.0,10,4,8,2.56,1.3886,1.2804902574870265,5.225316977035589,3.2068495073033194,0.0,3.1473451902649443,4.1800446793471036,0.0,0.25,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.14400000000000002,0.124,0.31900000000000006,0.455,4.4910000000000005,10.0,8.0,6.0,5.0,5.0,2.0,0.0,0.0,0.0,55.0,2.5649493574615367,2.8903717578961645,2.9444389791664403,2.833213344056216,3.044522437723423,3.2188758248682006,2.833213344056216,0.0,0.0,0.0,4.897839799950911,2.418181818181818,0.42857142857142855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.3333333333333333,6.0,0.6666666666666666,0,4.0,7.0,0.75,2.5,0.8888888888888893,0.375,0.16000000000000003,0.22222222222222227,0.08163265306122448,0.0,0.0,0.0,0.0,0.2777777777777778,0.08888888888888893,0.046875,0.026666666666666672,0.04444444444444445,0.016326530612244896,0.0,0.0,0.0,0.0,0.5009793083900227,30.214244817320285,47.274778300357305,60.42848963464057,6.042848963464056,30.214244817320562,0.023379475851008136,0.0023379475851008137,-3.7558967418803584,45.14103234512216,4.514103234512216,3.8097916409799426,0.0,173.60692885706686,4.321928094887363,3.6635616461296463,4.31748811353631,5.043425116919247,5.720311776607412,6.450470422144176,7.133295954896068,7.864419904994565,8.54927308487965,9.280332743796217,77.0225787639033,2.9444389791664403,0.0,4.07753744390572,0.0,5.351858133476067,0.0,6.678342114654332,0.0,8.029107054619736,8.33302993974291,136.125200512,5.235584635076923,18.49017775048145,1.8490177750481451,0.0,0.0,0.0,146.0,8.0,4.314,38.0,1.2194703326934375,2.133934841680952,3.0613948289752058,3.7318822800013494,4.44028808884631,5.913434748626842,6.951361550358342,7.322290389643682,9.09328043501438,0.0,83.5432647639111,99.39303882211301,112.8656045395377,96.06389512289418,106.97238754726082,184.75061709837686,162.25574328908712,35.67534188969399,9.239354891922453,0.0,300.61769807830865,389.83954932950905,506.8066991312143,464.57307712761246,513.9085213830888,806.3636625925996,949.4352370078251,440.5669101121114,282.6532050807654,0.0,8.899824328508002,15.254722889964889,21.896674406160653,26.20537995992705,31.019489468094054,41.59191251953462,49.53434560023676,50.21074257958395,61.092877244548475,0.0,2.2298465265848635,3.0628946368336973,4.172704744155296,4.045800708297665,4.522046803166685,6.770251587281722,8.450599252016728,4.958544179080467,4.042989828818323,0.0,173.02631477232524,325.86516797292796,464.71177716475137,603.5685823515042,730.7370190327794,952.8847875165517,1064.5350843478882,1273.0770640708465,1681.508067240901,0.0,3.27884233093162,4.666502001586363,6.715698196628328,6.85316574276294,7.991576191693158,11.375493948393146,15.709060026246934,11.37700040265246,9.09328043501438,0.0,0.4605128858925979,0.6402147846308467,0.8784480662962949,0.8618925205221172,0.9660160157085991,1.4340257593056556,1.800307347074464,1.1001033421070372,0.9311519165454726,0.0,340.4583228603428,204.75240238984995,12.417374953642986,118.15258353286369,-71.05722992369,-7.863960222336065,222.3057393274791,275.80963231353996,20.281335175979052,0.7423685702067423,0.44646213061121176,0.027076056806630992,0.2576314297932578,-0.1549401222978473,-0.017147346721827886,156.13790003609273,93.90168484619561,5.694743582514509,54.18606342670565,-32.58762062109395,-3.6064979254056637,0.10214829024536912,0.16370536203696182,2.1196261841475312,3.876679593166333,458.61090639320645,0.0,1.0,0.0,624.8777204591745,24.9975542895535,8.549322110153197,785.8248034266235,28.032566836210762,9.228021071380144,1034.5117477767099,32.16382669672112,10.113740562851696,2.3216085389969043,2.3216085389969043,1244.944643798289,1132.6497834272263,125.16922513105874,1.0991434969698006,9.946092120445474,9.048947792408898,5.08871162969379,5.900238610429242,10.444372847136394,0.7701610963114196,6.841420467021726,6.098508446276916,3.6319486963814627,14.506171310114228,7.936601743038038,7.772095302716883,10.563119660160785,6.2454069992191625,14.797294624513457,0.6240735582751565,8.859368211443902,5.680755015781395,3.908261423224503,7.956301423668557,1.489263190363904,4.185098955178364,1.1329546583622034,4.534256695764639,0.05500598010329396,0.7338592593035251,3.911957945492187E-14,4.022087194146794E-49,7.975991641607091E-106,3.0506599732724914E-184,2.2504989899403607E-284,0.0,0.0,0.0,0.0,0.0,0.5741699349740178,6.089292598887873,0.29293404915698484,9.203612943357793,2.620056527028921,0.5606607170861952,0.916669047006432,1.7393465267203496,4.0843439206305385,0.4492046671588715,0.6764276767676827,0.24558755691015735,0.2053234391075452,1.5606880422036415,0.12984233016094546,0.24197565097776075,0.09366610808012532,0.1581444957399295,3.8741210289308604E-4,0.0051686307674863735,2.755223967245864E-16,2.832788897548247E-51,5.61755612910702E-108,2.148604762984097E-186,1.5850448398841753E-286,0.0,0.0,0.0,0.0,0.0,1.853449381605031,6.089908547341166,0.953448443838924,9.931814826355302,3.323920542948614,1.811269178906603,2.4962642115756855,2.3326670898690876,5.449606438612955,0.46090969757122613,2.1916942266128774,0.9380942368822607,0.7088743082750318,2.8162947182960587,0.2552099665137794,0.7711238871007943,0.30326151975376286,0.6570450297642193,0.004037128981227741,0.05386111763247631,2.871155802754656E-15,2.9519844404173E-50,5.853926602383658E-107,2.239011821327406E-185,1.6517389307588263E-285,0.0,0.0,0.0,0.0,0.0,6.457743880320268,6.097496671979186,3.420089932762893,14.056261233663996,7.476215461117848,7.252292784547994,9.834795981552224,5.854057607234351,13.850843361032021,0.6048815414521443,8.303564292882857,5.200523042307696,3.5923156384398194,7.547122657204048,1.352225705678968,3.8461605888309935,1.0684296309061267,4.126843706966181,0.049009338305171825,0.6538553879731042,3.485484100332553E-14,3.5836072781672035E-49,7.106464956567713E-106,2.718083113499421E-184,2.005154083082733E-284,0.0,0.0,0.0,0.0,0.0,2.7316346165815153,6.090707041449038,1.4131209545555192,10.536861012901495,3.9203336760622847,2.73551065135686,3.6962428537396517,2.83689651382322,6.6307305099598395,0.47606779483046546,3.277913596710784,1.5372725815774246,1.1294586086358362,3.693038069729958,0.38643824110509,1.2162367039472153,0.4478980221067633,1.1166174401801345,0.008769182415665735,0.11699354477725118,6.236534066450597E-15,6.41210466831213E-50,1.2715510820847907E-106,4.863432867522159E-185,3.5877976739113064E-285,0.0,0.0,0.0,0.0,0.0,8.262002172886692,6.102762792208084,4.424821484751645,16.314244624598786,9.794386451048641,9.785620695910286,13.416207454159835,7.825529686289229,18.6315458627337,0.7047689330030149,10.979538192172363,7.6263072592123144,5.179408322098171,9.491339543759382,2.0577538808140696,5.55078812683207,1.372884272921,6.201127350577696,0.0802210508422136,1.070264760446739,5.705223011539646E-14,5.8658361705823845E-49,1.1632234213044288E-105,4.449100865195358E-184,3.2821412713932055E-284,0.0,0.0,0.0,0.0,0.0,3.6323189302344607,5.048367124895138,1.8084256307562456,10.508997346536923,4.753253949460275,3.492235013551718,5.025269802433895,3.322772394708957,7.700061134288643,0.43825397241826175,3.9053619848566585,1.9581014437439588,1.5763583302329705,4.6140473249782294,0.574153798505013,2.1656346402467195,0.5830932334992204,1.7356452911670497,0.013983586885722701,0.18656121273163542,9.944953466401995E-15,1.0224923309743983E-49,2.027651289441813E-106,7.755367490841723E-185,5.7212035617437286E-285,0.0,0.0,0.0,0.0,0.0,9.69567340228372,1.701120906637187,0.24566162462939678,0.8327859222849622,0.14611357915773013,0.5754598706412591,0.6160867347024832,0.3076836212454744,11.642455933550304,19.293267734047518,34.98754680033928,0.7491788834274432,1.4992302265892168,8.304022569772652,0.8887722963713659,0.047257739662238674,0.898698624784298,0.09618693034419305,0.4219338507841232,0.16767368461086443,0.011386116673498444,9.240052605806257,7.814815915009088,17.40364884360362,0.8480479371764469,0.6009936520684861,8.818295637208289,1.1904931748740921,0.12071346105704943,0.8705556699061029,0.11752731208037168,0.475808192610931,0.3018468182737895,0.07429184485140478,10.12950227313943,11.70631630861399,23.103083074509318,0.8058335048591543,0.8519468557361252,9.657071100706343,1.678755696779473,0.2401733332590253,0.8342321174529023,0.14502035917577827,0.5708692826740095,0.6000862523263505,0.29408935849646706,11.576000130744841,18.934426431714343,34.40408376741308,0.7513481761793533,1.465044893496827,9.06304649261341,1.333436453642948,0.15561366153124223,0.8588858526868253,0.12636696793117422,0.5026227454355943,0.3789128387210382,0.12345969003627634,10.5520966077876,13.702831352625653,26.1355185269344,0.788328779030238,1.004995274192909,9.81806924212872,1.7719759322552961,0.2630580548305379,0.8283121349968463,0.1494946848929718,0.5901410768085685,0.6681000990158318,0.35280355114337125,11.853103229214554,20.446237137239613,36.87586193928561,0.7424682024952695,1.6110447269677715,9.700503877135557,1.6772278142913013,0.23957373996849496,0.8350046346307028,0.1443732218452872,0.5759918120869549,0.5991135335188144,0.29262280187358264,11.617305431395353,18.995760649045565,34.51092002863547,0.7525069519460542,1.4677281474793518 +UMLCN0456,L,farnesene,CC(=CCCC(=CCC=C(C)C=C)C)C,Alkenes,,C15H24,NREL (2014),IQT,PubChem,,32,0,4.472500000000001,20.00325625000001,73.6337,42.403031999999975,0,0,39,15,24,0,15,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2188.347350999997,2310.267806000001,2736.123952,2649.351950000003,2348.8879799999995,2081.606530999995,2103.698027999996,1717.1353999999983,1262.4131579999953,7098.763392582267,8682.915417383063,11174.655295481807,12153.808992558246,11708.57520629037,10333.792968774636,9320.591645587192,8852.522033624075,7267.231784632864,274.35087600000014,276.39039200000013,470.14316800000006,549.1880240000007,673.9972320000012,655.3474040000008,511.48919999999976,428.0459840000004,553.9853039999998,52.50420971637604,65.76966344,89.59671301758388,101.17071466818784,102.92299145456376,92.33123309305377,79.31826654001686,76.20191568909397,69.03376570820505,6339.938989931978,5450.062130369601,10193.558752066589,11803.382742908885,15528.450036172164,15566.484175482758,11911.24612584142,9167.497955658897,13522.614361305308,80.08333333333334,93.41666666666669,131.5,155.91666666666669,165.1388888888889,153.33333333333331,126.66666666666667,123.16666666666666,124.61111111111111,56.11147053846147,60.79652121052635,41.45642351515151,34.40716818181822,24.467583124999994,22.14475032978718,28.8177812054794,28.618923333333306,15.78016447499994,182.01957416877607,228.49777414165956,169.31295902245162,157.84167522802917,121.96432506552469,109.93396775292166,127.67933761078345,147.54203389373458,90.8403973079108,7.03463784615385,7.273431368421056,7.1233813333333345,7.1323120000000095,7.020804500000012,6.971780893617029,7.00670136986301,7.13409973333334,6.924816299999998,1.3462617875993856,1.7307806168421054,1.357525954811877,1.3139053853011409,1.0721144943183725,0.9822471605644018,1.0865515964385872,1.2700319281515662,0.8629220713525632,162.56253820338404,143.4226876413053,154.4478598797968,153.29068497284266,161.75468787679338,165.60089548385912,163.1677551485126,152.79163259431496,169.03267951631636,2.0534188034188037,2.458333333333334,1.9924242424242424,2.024891774891775,1.7201967592592595,1.631205673758865,1.7351598173515983,2.0527777777777776,1.557638888888889,0.09321081825167517,4.1213555356681966E-4,-0.017385836261398696,-0.05125971320742962,0.006653647334181596,0.02043347786197778,0.01217977779836792,-0.0488419872510837,0.020952952899747287,1117.5323907692316,-45.847482698226116,45.84748269822397,-604.6136780828404,-180.52446312425948,267.9212270177523,338.84155181656837,-843.8802284142015,250.01205408875876,2078.099200977439,-85.25535183497186,85.25535183497186,-1124.304952323693,-335.6929478502035,498.21096228561646,630.090334655339,-1569.2313197124524,464.90809047508054,0.2189169230769231,-0.008981207100588594,0.008981207100593797,-0.11843966863905028,-0.035363502958579984,0.05248392899408099,0.06637673372781004,-0.16531034319526378,0.04897564497041135,9.290070321683077,-0.3811310901203141,0.38113109012034274,-5.02616625096186,-1.5007036673488123,2.2272348078906723,2.816796962920569,-7.015194127527342,2.0783554758124123,50.46380943183688,-2.070310130537462,2.0703101305365226,-27.30221484645581,-8.15184613898898,12.098374825325326,15.300885808499357,-38.106645840195135,11.289659930584527,9.410256410256403,-1.9531558185404356,1.6134122287968427,-4.517258382642998,-0.8004602235371463,1.4940828402366906,3.6316568047337294,-6.150394477317554,1.472550953320189,0.0023900209808121837,1.0845672462284728E-5,-2.6342176153634387E-4,-6.657105611354497E-4,6.930882639772496E-5,2.173774240635934E-4,1.6684627121051944E-4,-8.14033120851395E-4,2.619119112468411E-4,28.654676686390555,-1.2065127025848978,0.6946588287609693,-7.852125689387537,-1.8804631575443695,2.8502258193377905,4.641665093377649,-14.064670473570025,3.1251506761094845,53.28459489685741,-2.2435618903939964,1.2917477550753311,-14.601363017190819,-3.4968015401062864,5.300116620059749,8.63137444733341,-26.153855328540875,5.811351130938506,0.005613254437869823,-2.3634755527864723E-4,1.3607889546354238E-4,-0.0015381775147928608,-3.6836982248520815E-4,5.583396701497978E-4,9.092703250384937E-4,-0.0027551723865877295,6.121955621301419E-4,0.2382069313252071,-0.010029765529481949,0.00577471348667186,-0.06527488637612805,-0.015632329868216794,0.023693987317985877,0.03858625976603519,-0.1169199021254557,0.025979443447655154,1.293943831585561,-0.05448184554045952,0.031368335311159436,-0.3545742187851404,-0.08491506394780186,0.12870611516303537,0.2096011754588953,-0.6351107640032523,0.1411207491323066,0.24128862590401035,-0.051398837330011465,0.024445639830255193,-0.058665693281077895,-0.00833812732851194,0.015894498300390324,0.049748723352516844,-0.10250657462195924,0.018406886916502364,0.004537898432422598,-0.11021734271421632,-0.2785375385739191,0.02899925438067587,0.09095209866723579,0.06980954248938069,-0.3405966421996714,0.10958561173711431,-0.04210526315789587,0.02424242424242376,-0.2740259740259739,-0.06562499999999963,0.0994680851063832,0.16198630136986306,-0.4908333333333331,0.1090625000000005,-0.042105263157894736,0.02424242424242424,-0.2740259740259744,-0.06562500000000035,0.0994680851063829,0.16198630136986303,-0.49083333333333384,0.1090624999999999,-0.0421052631578801,0.02424242424242986,-0.2740259740259671,-0.06562500000000018,0.09946808510637947,0.16198630136986153,-0.4908333333333259,0.10906249999999365,-0.04210526315789283,0.024242424242424968,-0.2740259740259735,-0.06562500000000034,0.09946808510638236,0.16198630136986272,-0.49083333333333284,0.10906249999999897,-0.04210526315790621,0.024242424242419854,-0.2740259740259788,-0.06562499999999956,0.09946808510638569,0.16198630136986408,-0.49083333333333806,0.10906250000000492,-0.2130180696974046,0.10131285608124843,-0.24313493046463092,-0.03455665304268848,0.065873383964288,0.20617931394871436,-0.42482970027247985,0.07628576294277961,1.1725515590333335,1.2297330328098643,1.4333982004768695,0.8493105389503081,0.7870985169032761,0.9789848560176577,1.3346275839842319,0.6358123911225798,1.3,1.0603535353535354,1.3633116883116885,1.0291666666666668,0.8101950354609929,0.7894977168949772,1.5780555555555558,0.7461458333333333,1.2999999999999998,1.0603535353535352,1.3633116883116878,1.0291666666666663,0.8101950354609928,0.789497716894977,1.578055555555555,0.7461458333333332,1.2999999999999978,1.0603535353535336,1.3633116883116871,1.0291666666666655,0.8101950354609916,0.7894977168949759,1.5780555555555533,0.7461458333333322,1.3000000000000003,1.0603535353535352,1.3633116883116867,1.0291666666666657,0.8101950354609927,0.7894977168949774,1.5780555555555542,0.7461458333333335,1.3,1.0603535353535347,1.3633116883116871,1.029166666666666,0.8101950354609925,0.789497716894977,1.5780555555555542,0.7461458333333332,1.4965940054495923,0.7461054688575128,1.201101124125648,0.9353405048440818,0.7637157709625685,0.5885123113483387,1.4853277323645182,0.9120884423251595,112.92496802897134,56.46248401448565,87.94747607883527,112.9249680289713,7.528331201931421,56.46248401448565,-3.552713678800501E-14,0.06400396241963452,0.004266930827975635,-4.123215427098292,558.1603998720859,37.210693324805725,9.486969564062916,112.92496802897134,56.46248401448565,87.94747607883527,112.9249680289713,7.528331201931421,56.46248401448565,-3.552713678800501E-14,0.06400396241963452,0.004266930827975635,-4.123215427098292,558.1603998720859,37.210693324805725,9.486969564062916,112.92496802897134,56.46248401448565,87.94747607883527,112.9249680289713,7.528331201931421,56.46248401448565,-3.552713678800501E-14,0.06400396241963452,0.004266930827975635,-4.123215427098292,558.1603998720859,37.210693324805725,9.486969564062916,112.92496802897134,56.46248401448565,87.94747607883527,112.9249680289713,7.528331201931421,56.46248401448565,-3.552713678800501E-14,0.06400396241963452,0.004266930827975635,-4.123215427098292,558.1603998720859,37.210693324805725,9.486969564062916,112.92496802897134,56.46248401448565,87.94747607883527,112.9249680289713,7.528331201931421,56.46248401448565,-3.552713678800501E-14,0.06400396241963452,0.004266930827975635,-4.123215427098292,558.1603998720859,37.210693324805725,9.486969564062916,112.92496802897134,56.46248401448565,87.94747607883527,112.9249680289713,7.528331201931421,56.46248401448565,-3.552713678800501E-14,0.06400396241963452,0.004266930827975635,-4.123215427098292,558.1603998720859,37.210693324805725,9.486969564062916,138.71168542591522,69.12917604629092,109.61188249294017,138.3187965370263,9.221253102468417,69.12917604629092,-0.4533333333333758,0.13666226499368267,0.009110817666245512,-2.9853639237507887,114.33711049035712,7.622474032690475,7.108726791466426,0,11.790000000000003,12.210131226160065,-0.2929590189497438,0.1284302698643769,5.568843167078066,9.080233149590702,14.0,38.0,34.0,34.0,10.0,4.0,4.0,0.0,0.0,4.0,26.236967999999994,3.6689509017745023,3.545717113539475,3.378398142722044,2.9105275516756084,2.7315033300875333,2.539659560683981,2.3335527931030486,2.1354505888280517,1.9417523631502336,1.8460691243389045,1.7214361811211525,1.4484547933762155,1.3719723132317865,1.3109851349094825,1.249629722584355,0.9648284842213127,3.685473541817759,3.563961515719534,3.3982168419497953,2.945446952222341,2.7743109953195684,2.5954964620311847,2.4054545878412905,2.1995284621228524,1.8977747608382245,1.7979530968350563,1.6648884805410062,1.3690309143313086,1.280905968218645,1.2082142097191142,1.1345406859483511,0.8583090034840206,3.7610496606261776,3.6474574701361555,3.4910468564762023,3.1028867946639194,2.965882469853543,2.8371437684573064,2.704236987233519,2.4673019293215424,1.7767510298371396,1.664793044000021,1.5107098686414207,1.1348483017941557,1.004384063000019,0.8841071218742305,0.7603185604308982,0.517823998431967,3.697795800967083,3.5775733254344724,3.4131182639250657,2.971418856643011,2.8060924759104204,2.6365240425601044,2.457539916041694,2.2460421604769047,1.8705308042193585,1.7680659988254328,1.6299138033210707,1.318312416505822,1.2219605404591258,1.1408083683722339,1.058262670532712,0.7882786909809514,3.799735326773312,3.6901514037225644,3.5396775148738846,3.18103570992837,3.059736532720094,2.9507527796184982,2.8389820851496492,2.588857905998445,1.7414255119697806,1.6257807663548336,1.4666350325452422,1.06251881136465,0.9170434247756816,0.7768195235804366,0.6313372621875601,0.40175902782655576,3.704852378782974,3.582457146243526,3.4368174459207776,3.0966224989699755,2.8254160813682647,2.680858111278218,2.541401787062447,2.3030138548711445,1.9097656757676396,1.7588696523788012,1.600874713515333,1.2954013273241398,1.1229600712590686,1.0109110801612762,0.9624544186413934,0.7354477799020865,0,0,1,4,3,4,3,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9855985596534889,0.0,0.0,0.0,0.6594659464934111,0.0,0.0,0.0,1.1897227048854204,0.9855985596534889,0.7163128427270959,0.7285015402222603,0.5644410216573493,0.3554864604842519,11.681798275874712,7.0577493102643665,5.874245891192094,3.5691681146562617,2.0377974009767312,1.1877173635181275,1.0191655362052805,0.4440355937288492,0.7787865517249808,0.504124950733169,0.36714036819950585,0.2549405796183044,0.16981645008139426,0.10797430577437522,0.08493046135044004,0.05550444921610615,10.637828201504695,5.641247090827979,4.258593851383992,2.3193755161403153,1.2199127653952604,0.6176751579794163,0.5033426016716103,0.18048599060853004,0.7091885467669796,0.40294622077342707,0.2661621157114995,0.16566967972430824,0.1016593971162717,0.05615228708903785,0.04194521680596752,0.022560748826066256,21.501933645430462,37.65404224326294,35.705882352941174,36.12,24.5826538922156,296.56714491017965,0.5513316319341144,0.9654882626477678,0.9155354449472096,0.9261538461538461,0.630324458774759,7.604285766927683,4.906260000000006,69.91300000000005,66.9284513107435,104.18322428549885,133.856902621487,8.923793508099134,66.9284513107435,0.012245260495626742,8.163506997084495E-4,-6.603924472758074,113.51539177905799,7.567692785270533,7.097907657173065,235,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,4.0,0.0,0.0,2.0,7.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,1.0,3.0,0.0,4.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.55633550642479,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.41000385802469136,1.2952107627371428,0.0,0.0,0.7123530013857395,2.443392238648597,0.0,1.7052146207618342,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.583062877928949,3.730626001433631,3.3606016156462584,0.0,8.692229544595616,0.0,0.0,0.0,0.0,4.133479960395546,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.253100434618292,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.41000385802469136,0.2841358024691358,0.0,0.0,0.352719710569413,0.31171290960522563,0.0,0.2841358024691358,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.082692507558579,3.730626001433631,1.0262977135298563,0.0,1.895192507558579,0.0,0.0,0.0,0.0,1.253100434618292,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.730626001433631,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.41000385802469136,0.3883546591846105,0.0,0.0,0.35963329081632656,0.41822704081632656,0.0,0.41000385802469136,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2042824074074074,3.730626001433631,1.1727747071050643,0.0,2.2974537037037037,0.0,0.0,0.0,0.0,1.4727891156462587,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,28.5,1.9,0.41822704081632656,3.730626001433631,0.048611111111111105,1.0262977135298563,8.3650358085337,0.4737022864701437,0.7306260014336312,4.221451832799234,0.4737022864701437,0.7306260014336312,4.221451832799234,7.5,0.5,0.0,0.0,0.45385,0.7,0.42766,0.42766,0.7,0.02619,0.02619,-0.0,0.0,0.71429,0.0,0.0,0.33333,0.2,0.0,12.0,0.8,7.0,0.46667,5.0,0.33333,-2.0,-0.13333,0.0,0.0,14.55167,0.97011,20.92757,6.3759,0.42506,4.62543,0.30836,7.05773,2.4323,0.16215,0.35627,0.02375,0.35627,0.02375,0.0,14.0,0,0,0,0,0,0,0.4666666666666667,0.961236604722876,2.5335224103378375,3.6308041416063297,4.1049124748287165,4.387465039153175,4.265544846790009,37.48822758419216,98.80737400317567,141.60136152264687,160.09158651831993,171.1111365269738,166.35624902481035,0.18186631119434363,0.479343350879966,0.6869494489272583,0.7766509160228778,0.8301099627754789,0.807042618548002,4.324165614139373,2.751879808524411,1.654598077255919,1.1804897440335322,0.897937179709074,1.0198573720722397,0.1782603896169623,0.46983925679810346,0.6733290822733705,0.7612520096625505,0.8136511067800295,0.7910411261716664,6.796774065078518,20.17638152214072,24.664457200530943,25.142275446632258,26.203505799992115,24.74046349163413,58.06266587286679,33.497481175528605,24.376282997047287,22.42918874331361,19.70879014053368,22.393059495408,15.0,9.2421875,10.285714285714286,15,4,12,3.11,2.0501000000000005,1.5701862097112098,8.210288418420197,4.108096840005106,0.0,7.2130129426947445,7.483622312515933,0.0,0.5952753944880748,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.16199999999999998,0.136,0.3950000000000001,0.5990000000000001,6.903,16.0,14.0,12.0,11.0,12.0,8.0,6.0,5.0,5.0,118.0,2.9444389791664403,3.295836866004329,3.367295829986474,3.332204510175204,3.5553480614894135,3.8501476017100584,3.713572066704308,3.4965075614664802,3.713572066704308,3.8918202981106265,5.872117789475416,3.0,0.45454545454545453,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.42857142857142855,10.0,0.7142857142857143,1,6.0,11.0,0.8333333333333334,3.5,1.333333333333334,0.625,0.2400000000000001,0.388888888888889,0.163265306122449,0.09375,0.049382716049382706,0.08000000000000002,0.03305785123966942,0.25,0.08333333333333337,0.044642857142857144,0.020000000000000007,0.035353535353535366,0.01360544217687075,0.01171875,0.008230452674897118,0.016000000000000004,0.006611570247933884,0.4894959409294277,66.9284513107435,104.18322428549885,133.856902621487,8.923793508099134,66.9284513107435,0.012245260495626742,8.163506997084495E-4,-6.603924472758074,113.51539177905799,7.567692785270533,7.097907657173065,0.0,257.4503932856003,4.906890595608519,4.110873864173311,4.795790545596741,5.541263545158426,6.244166900663736,6.9930151229329605,7.701200180857446,8.451694209183541,9.162304922937626,9.913685377512573,91.91399466901638,3.367295829986474,0.0,4.532599493153256,0.0,5.831882477283517,0.0,7.183111701743281,0.0,8.560061091643414,8.855092980028635,204.187800768,5.235584635076923,28.30902409021732,1.8872682726811547,0.0,0.0,0.0,484.0,14.0,6.136000000000002,60.0,1.2251314974202643,2.14072896547592,3.0516087527695963,3.7646905261857158,4.5562888225556355,5.623858387097537,6.6065218929563025,6.981351606978926,6.361421602322931,6.589785909210496,85.80812112671111,102.08141074999683,117.68113726044612,109.25833034942865,120.52971070104718,179.63644075140897,182.3977096358832,99.1233861961704,115.01482886428744,172.4639603083531,306.39885681581757,398.71445758241043,513.5561141756458,506.6925228072294,562.7584013846331,771.9684485135372,965.6909325102313,591.639229823356,612.1869528196673,795.4551769506011,8.947146319839053,15.324057003811841,21.81978154715449,26.53310060213161,31.929034818163107,39.54196560455043,47.15145184688451,48.20375758047444,44.099304991111524,46.08424127610782,2.2639932004334233,3.121855987769463,4.19090330199815,4.321929346202931,4.870664967851725,6.451083349118879,8.365773094569443,5.731125641837535,5.6760641752082615,6.891681698753047,173.45561883812942,325.3582955337126,464.10365282386306,601.7105286487786,742.4168777855956,907.5387160458557,1007.3974454748794,1190.857715715577,1072.307294632527,1081.3682813860567,3.1138724755478013,4.48700175057814,6.339135317314893,6.767159820964878,7.9383116920658585,10.213545883083025,13.803731969643668,10.702349870437384,10.431361692747718,11.950696950384927,0.46723118905149014,0.6520458073191816,0.8811409513164333,0.917181172865373,1.037191949868679,1.365556166526682,1.774982504876217,1.2450202122472094,1.2241838412905035,1.4685248400176367,424.6548385722639,367.55193555176487,15.567309330090763,135.76382835011245,-117.50780482278627,-9.05569553144252,288.8910102221514,485.05974037455115,24.623004861533282,0.757745706266924,0.6558524140001116,0.027777999286820686,0.24225429373307647,-0.20967860593955256,-0.016158804240360588,237.98449853480497,205.98296574665918,8.724210742337736,76.08458370024832,-65.85356733176064,-5.074980817785936,0.070976326057795,0.1137484056310138,1.4822137751923254,2.8045514267953044,560.4186669223761,0.0,1.0,0.0,955.8365598534529,30.916606538451997,9.850566622401743,1198.5356570753959,34.61987372991698,10.622261441972393,1783.9650500959365,42.23701043037891,12.128174787952368,1.2346609626897815,1.168312790224703,2363.932949640256,1435.832951969121,950.9445222749707,1.646384383641792,2.485878928020905,1.5099019115585612,6.744048909004075,6.251236871211968,10.546755934409406,0.6871470641240696,10.818582914367637,10.06745032271002,10.141194222051682,27.642261015878006,13.627221288399253,10.232439226740999,20.379878178009477,17.450861837750875,23.588063288374126,10.87356466732606,22.666965006210088,20.714134583548535,10.614718279120456,14.932042110593303,8.209879801331168,12.389795883020088,5.521959194710424,0.8915182724570461,1.0516920496309843,0.8064263723481823,1.1975137561619625E-9,3.4417458645073067E-40,1.9078885092741087E-92,2.039872815407945E-166,4.2065794231904115E-262,0.0,0.0,0.0,0.0,0.0,0.9079505771304472,9.891533014206525,0.7534209920961789,12.661323706646861,3.0772823107323477,0.73036281810423,3.7925233170053554,4.0274334820033655,5.848696692245076,3.251918502965561,1.9957063856402244,2.2022688776274557,3.7844603500967167,3.4456370839524952,1.3933016071160096,1.098408269341394,0.39238842331311263,0.06592158945237644,0.007407290503709458,0.0056797268781305895,8.434187299702526E-12,2.4240497539057217E-42,1.343741476986567E-94,1.4366991029700714E-168,2.962728282969639E-264,0.0,0.0,0.0,0.0,0.0,2.9309219243444486,9.903288314570833,2.49648520490094,14.785184696987185,4.415830878361265,2.298294797520138,6.055616830144782,5.567263675332139,8.18849922888467,4.181914021395873,5.0387226137103385,4.825841827630839,4.875921657599594,5.273726456642716,2.1897725448380494,2.277602253047871,1.3117910084021676,0.21866565162984883,0.07718859924375161,0.059187133162561634,8.789073445548905E-11,2.5260467387881665E-41,1.4002822220324475E-93,1.4971512353778948E-167,3.0873912984056663E-263,0.0,0.0,0.0,0.0,0.0,10.211861104259647,10.048136198723094,9.50521596761511,26.394696559250985,12.693070273894282,9.51925344273538,18.967224246491657,16.20450605512596,22.048832800035214,10.185605115031018,20.985303984938707,19.172217613231105,10.089475416595775,14.046121148003236,7.5821044136154,11.300338526115205,5.162771439313831,0.8353941643725252,0.9370387766510886,0.7185113792307926,1.0669631972505494E-9,3.0665336016581916E-40,1.6998943130114394E-92,1.8174899535916274E-166,3.747986532731387E-262,0.0,0.0,0.0,0.0,0.0,4.319628334489908,9.918529536705355,3.744465000914373,16.520492718929955,5.57666879566887,3.4849798604002693,7.942524101982632,6.980666436291858,10.175109292315595,5.006123418845165,7.4769637865258325,6.969813580183453,5.715065386609908,6.6820211801513505,2.9131742808144354,3.4213015229342245,1.9808346310892426,0.32820442375535436,0.16766361388447798,0.1285623622060908,1.909104197797724E-10,5.48691106375498E-41,3.0416001012456157E-93,3.2520125425115075E-167,6.706226457824662E-263,0.0,0.0,0.0,0.0,0.0,13.065000688771322,10.148663573432655,12.565497820265941,32.636622976064835,17.413295160688445,13.022325704548287,26.06127693517285,22.547638553174636,29.801760017935433,13.672115787775915,29.365941546358755,26.887132110332935,12.68105947196866,18.419686547195372,10.773221643603978,16.875699905608247,6.903144556911849,1.10565815089866,1.533793566532699,1.176097074850949,1.746461269135888E-9,5.019462882694152E-40,2.7824760844133305E-92,2.9749627908168463E-166,6.134900747772633E-262,0.0,0.0,0.0,0.0,0.0,5.916563698693992,8.482083350986773,4.920364944394469,18.125353299070184,6.6943555795501934,4.803925075787911,9.844594539170652,8.156589438381067,12.949278991594737,5.944611703683767,10.633536105589263,9.534634852902235,6.231887252234176,9.138043295736539,4.047714866527087,5.305827227748186,2.9853100551245464,0.5112901719623621,0.2913282787516624,0.2233868067446488,3.3172126209472643E-10,9.533922062347108E-41,5.28500972098091E-93,5.650617217196523E-167,1.1652574579474822E-262,0.0,0.0,0.0,0.0,0.0,7.555081647455418,5.876055862015816,0.29060452966091077,0.5505920185578166,0.42822958231238234,0.4341532629922383,0.4557536527813859,0.35877926752353767,13.721742039132145,48.29723120128942,74.92009450237627,0.46823240130529836,1.2486861832971619,6.99006192271338,4.617016877312092,0.05590337164497317,0.5993374438736897,0.3958693247878654,0.3759754264166085,0.2816290113054574,0.01327695805193203,11.662982171670446,32.9221087104946,46.38927346941969,0.49281015299233283,0.6708813957739981,7.194029184741644,5.088376856765569,0.1427975515563939,0.5789868255163018,0.4095206021095836,0.3964026554558201,0.342496062024848,0.08662915969291944,12.425203593063605,38.35982912048415,56.012270119973024,0.482761141438828,0.8255278771735874,7.5387028626074,5.84197713853989,0.2841121752387378,0.5516880729174167,0.427520379609969,0.43236938899558897,0.4506170721590537,0.3429274661734492,13.664792176386028,47.84254387889709,74.01990041393289,0.4688126787910787,1.225913927328092,7.292746663960257,5.310520103875768,0.18408261746107005,0.570309486682632,0.41529483115412547,0.4064688857963021,0.3731053832051774,0.14396208958680454,12.787349385297096,41.048320106617254,60.96487223383928,0.4784064767551363,0.9235363585882841,7.607405108434887,5.983669339960565,0.3111835738335737,0.5472064391461459,0.4304098895584424,0.43991938843958744,0.47206525091197965,0.41139206300587683,13.902258022229027,49.74951582309108,77.81691133727847,0.46642449305688244,1.3233767023574439,7.586074775102323,5.841137312863899,0.28373625034650385,0.5532859279984617,0.42601993448855136,0.43777647190882557,0.45042965050698114,0.34202057308720146,13.710948338312726,48.12109123747258,74.40476294187204,0.4689587937305196,1.2302266955030081 +UMLCN0457,L,farnesol,CC(=CCCC(=CCCC(=CCO)C)C)C,Alkenes,Alcohols,C15H26O,NREL (2014),IQT,PubChem,,24,0,3.5718999999999994,12.758469609999995,75.21509999999999,44.53861799999997,0,0,42,16,26,0,15,0,1,0,0,0.0,0.0,0.0,0.0,0.0,2446.3474799999976,2530.665875000002,2997.8792530000005,2910.135539000003,2775.633606,2404.8659599999964,2362.4908169999953,1953.7048129999978,1672.987439999995,7377.321658408485,9182.395166454873,12016.705652351047,13121.833568465332,12844.746526139155,11567.704578321727,10327.659085964293,9591.073376790126,8164.331510387404,301.13952000000006,303.0130760000001,527.1907480000002,624.0374600000013,755.7286800000019,754.6445840000016,621.8853240000005,488.6601560000003,601.7252640000003,54.03663952607404,68.75731573599998,95.79083482443286,109.27745151358383,111.6099818136577,101.68781607275177,88.40036018050682,82.08156391448992,74.82876013790298,6895.225579782976,5941.71228319365,11361.555929036838,13494.071146968628,17404.010248286344,17628.07438227859,14590.37962331701,10551.941264292842,14505.381417609606,109.58333333333334,101.83333333333334,153.16666666666669,173.83333333333334,185.97222222222223,192.08333333333331,157.66666666666669,140.58333333333334,139.19444444444446,58.24636857142851,61.723557926829315,41.06683908219179,33.44983378160923,25.940500990654204,22.6874147169811,26.846486556818128,28.73095313235291,19.45334232558134,175.6505156763925,223.96085771841155,164.6124061965897,150.82567320075094,120.04436005737529,109.12928847473327,117.35976234050332,141.04519671750185,94.93408733008609,7.169988571428573,7.390562829268296,7.221791068493154,7.172844367816106,7.062884859813102,7.119288528301902,7.066878681818188,7.186178764705887,6.99680539534884,1.2865866553827152,1.6770077008780484,1.3122032167730528,1.2560626610756762,1.0430839421837168,0.959319019554262,1.0045495475057593,1.2070818222719106,0.8701018620686393,164.17203761388038,144.91981178521098,155.63775245255943,155.10426605711066,162.65430138585367,166.3025885120622,165.7997684467842,155.1756068278359,168.6672257861582,2.609126984126984,2.483739837398374,2.0981735159817356,1.9980842911877397,1.7380581516095535,1.8121069182389935,1.791666666666667,2.0674019607843137,1.6185400516795867,0.2830357834611468,-0.09529894964437745,-0.03566562830118866,-0.04260868720465201,0.05030780647469077,-0.03692409770547664,0.03832235900746476,-0.05765918358806426,0.05663098686419087,1268.9830422857135,-62.20525961224649,-50.98533316326644,-631.9236703061222,-11.459805061223584,40.260439755103604,447.84823144897996,-811.3011587959179,385.5602077959193,2154.429764844777,-56.16070740104243,-0.5073369506512577,-1135.839421118402,-241.49807359436616,249.12501122176647,820.3769014306802,-1487.7261736581993,432.0867743542318,1.2128605714285712,-0.07833322448979345,-0.10772318367346789,-0.15274661224489722,0.17883330612244694,-0.1951982040816327,0.07955975510203936,-0.18259673469387658,0.2968235918367318,9.62576512726629,-0.09798989197159241,0.2453156857082811,-4.966362816850288,-1.6911508791887737,1.555251444254605,3.619934603420016,-6.597304448276211,1.1312004251937833,52.749779041149544,-0.29294796313211835,1.7241916147832321,-26.793847667571043,-10.18325894524039,9.132501083025508,19.575163031333677,-35.7532413672865,4.832190478855673,28.1011904761905,-3.874574829931971,0.201105442176872,-6.989370748299323,5.8791099773242586,-5.271258503401359,5.016156462585031,-8.153911564625849,7.9674036281179035,0.0067389472252653996,-0.0023243646254726205,-4.885702507012146E-4,-4.897550253408277E-4,4.701664156513156E-4,-3.4834054439128904E-4,4.354813523575541E-4,-8.479291704127097E-4,6.584998472580334E-4,30.213881959183656,-1.5172014539572316,-0.6984292214146087,-7.26349046328876,-0.10710098188059423,0.37981546938776983,5.089184448283863,-11.930899394057617,4.4832582301851085,51.2959467820185,-1.3697733512449373,-0.006949821241798051,-13.055625530096576,-2.256991342003422,2.3502359549223253,9.322464788985002,-21.878326083208812,5.024264818072463,0.02887763265306122,-0.001910566450970572,-0.001475660050321478,-0.0017557081867229565,0.0016713393095555789,-0.0018414924913361574,9.040881261595382E-4,-0.0026852460984393613,0.003451437114380602,0.2291848839825307,-0.0023899973651607905,0.003360488845318919,-0.05708463007873894,-0.0158051484036334,0.014672183436364198,0.04113562049340927,-0.09701918306288546,0.013153493316206782,1.2559471200273702,-0.007145072271515082,0.023619063216208658,-0.3079752605467936,-0.09517064434804103,0.08615567059458026,0.2224450344469736,-0.525782961283625,0.05618826138204271,0.6690759637188214,-0.09450182512029198,0.0027548690709160548,-0.08033759480803819,0.05494495305910522,-0.0497288538056732,0.05700177798392081,-0.11991046418567425,0.09264422823392911,-0.34491509545559323,-0.07249949203778981,-0.07267530208645308,0.06976852614138095,-0.051690647329200645,0.06462157037301973,-0.12582516854171027,0.09771553704845934,-0.050215376362654746,-0.023116169658639902,-0.24040242406126788,-0.0035447607171193163,0.012570892740657017,0.1684386155727659,-0.3948813796974262,0.14838405194809468,-0.026703344750917114,-1.35484802948101E-4,-0.2545157336811873,-0.043999408990236195,0.04581718639310089,0.18173881902600808,-0.4265117900285668,0.09794662411482559,-0.06616077134591707,-0.05110045092858567,-0.060798203502905206,0.057876604001277296,-0.06376881766798662,0.031307556856247316,-0.0929870578624009,0.1195193925986425,-0.01042825043096195,0.014662785725323263,-0.24907676757202774,-0.06896243822449531,0.0640189840682624,0.17948662136262344,-0.42332278367137255,0.05739249939891057,-0.005688991325812645,0.018805778395904072,-0.24521355687338336,-0.07577599632217559,0.0685981672482379,0.1771133759533809,-0.41863463270027396,0.04473776044075664,-0.14124229571039604,0.0041174234620596625,-0.12007245688742152,0.0821206500286054,-0.07432467537657908,0.08519477768577524,-0.17921801213601288,0.13846593400097507,1.3148845208346809,0.9392449179350952,0.8022157299959718,0.4709842797083216,1.0014239085743302,0.8477028607778646,0.9202143930503599,0.46848422539358453,1.287363322095666,1.0942700077800942,1.2810957744597729,0.9369971386092871,0.9301524063251966,0.7521732059976748,1.4377185873213048,0.7109659269357571,1.333550381741258,1.1119916578189601,1.3671272321680468,1.0271517151403908,0.8691138051438798,0.7520493203761074,1.5286032113372563,0.7797933855256144,1.0492582824265273,0.9163404304363969,0.632702986496844,0.45153237394720946,1.1857109624545101,0.728260057172555,0.7682234328610774,0.46856880444022747,1.3470260135798038,1.1094190563822546,1.3739028236765358,1.0516042048085747,0.8460181171384581,0.7498171893013371,1.5371451059187018,0.809930199757284,1.3481780330986795,1.1064457772507361,1.367965882855889,1.0530363644151675,0.8421637195399355,0.7488455019012109,1.5314837387715465,0.8160822018388982,1.1446727388265185,0.850258100646194,0.737891592225492,0.43028003069733456,1.1772276686929393,0.6717078110056286,0.9235051148186443,0.44769453324991865,132.26038236630023,66.25519118315009,103.17469843740619,132.47913236630018,8.279945772893761,66.25519118315009,0.24999999999995737,0.020215010956827095,0.0012634381848016935,-6.242127734199765,253.52856958720378,15.845535599200236,8.856762427555594,132.26439640162994,66.25683099036422,103.17658164870483,132.48250378334112,8.28015648645882,66.25683099036422,0.24926557909851965,0.020174664077681814,0.0012609165048551134,-6.2453243446231,253.2425634802834,15.827660217517712,8.854956445368378,135.8899509917893,67.74547825686562,104.89891556691613,135.5408308234885,8.471301926468032,67.74547825686562,-0.398994478058043,0.016954298610565632,0.001059643663160352,-6.523574195143955,162.2051181700832,10.1378198856302,8.142178713391298,132.2686093927783,66.25855209649862,103.17855825766429,132.48604234296988,8.280377646435618,66.25855209649862,0.24849480021893555,0.020132315886136676,0.0012582697428835422,-6.248686399109159,252.94380022632367,15.80898751414523,8.85306772889509,139.87318583004003,69.39544578285044,106.84154267604596,138.9261783487433,8.682886146796456,69.39544578285044,-1.08229426433914,0.05982091929646366,0.0037388074560289787,-4.506239773100091,136.22686676886644,8.514179173054153,7.862914614312938,132.68169439952743,66.42741429270285,103.37264485158383,132.8331868121709,8.302074175760682,66.42741429270285,0.17313418587828266,0.015972339298978733,9.982712061861708E-4,-6.619034954631592,229.20486189528194,14.325303868455121,8.695385915317125,147.91901790566243,74.18617561949783,117.57847757658944,148.31568457232902,9.269730285770564,74.18617561949783,0.45333333333323367,0.03273563139184926,0.002045976961990579,-5.470865838880753,238.4214318391858,14.901339489949113,8.758463727687769,0,11.996186395560663,15.997944884192684,-0.4169438980774827,0.08744552933685364,4.206853314404279,9.055944347906461,15.0,41.0,38.0,38.0,12.0,3.0,3.0,0.0,0.0,3.0,28.423381999999993,3.65898203375287,3.5474090136102143,3.3965507601551495,2.961652632963871,2.767361914843548,2.604663200145116,2.333552793103054,2.16941588049304,1.9457664664954182,1.8537774610054256,1.7292706331647985,1.4728389869521303,1.371786734539296,1.3227862852572532,1.2496297225843545,1.005593164179046,3.6748653242469804,3.5600205271779246,3.4101520298977333,2.9603184845170594,2.764901685441775,2.633757020682199,2.405454587841283,2.228457647880669,1.901440857186354,1.8081338899401427,1.678574719487387,1.4114670373023774,1.2985205235961674,1.2383914382992132,1.1345406859483524,0.9027399471364655,3.7577999401849946,3.652722266715913,3.5080021821624285,3.15269855486469,2.992885208942663,2.882360416119488,2.7042369872335223,2.507833471135005,1.7726880769014461,1.6647576148973262,1.5210131831353289,1.1553809869967981,0.9970025004205999,0.9083042017290022,0.7603185604308977,0.553438045450412,3.687730278407635,3.5727209883837086,3.423429369898679,2.9811951070169025,2.78730697711877,2.664358188524973,2.4575399160417013,2.274847941503257,1.8739868308163006,1.7802034008564636,1.6476158254608735,1.3773305653275238,1.2526420384618393,1.17728876703726,1.0582626705327116,0.8352722071854466,3.7983981994786595,3.695534700171112,3.5543882612300934,3.222131234391762,3.076776346935257,2.9876848021856546,2.8389820851496474,2.6299014074207356,1.7352206768077976,1.6248926378306392,1.4783383105450851,1.0844083100415982,0.9131538734699514,0.8089576239795265,0.6313372621875577,0.43571225772325356,4.13441247555899,3.6815343193260097,3.5640470762487495,3.420695705754798,2.934228200499086,2.7864108194477057,2.6040778798843003,2.5411924842342266,1.8661119264387365,1.741199094688554,1.5660004709955373,1.3029423879027384,1.1257302942498901,1.0228467139143584,0.9059646723371297,0.7230075935123983,0,0,0,3,3,5,4,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9855985596534889,0.0,0.0,0.0,0.696923425058676,0.0,0.0,0.0,1.1051717155225391,1.1299361269508954,0.8183749153430616,0.7814744144215574,0.6817401742487608,0.4421966135952444,12.38890505706126,7.5577493102643665,6.254672735323044,3.6537191040191432,2.4708101028689504,1.2897794361340933,1.096819840586792,0.46129449216106155,0.7743065660663287,0.5038499540176244,0.36792192560723785,0.2435812736012762,0.17648643591921073,0.1074816196778411,0.08437075696821476,0.051254943573451284,11.214798309001575,6.1141048223794145,4.642352500750139,2.562484212224506,1.4947151036533208,0.7308717481900575,0.5850291072281657,0.22098222972337164,0.7009248943125984,0.4076069881586276,0.2730795588676552,0.17083228081496707,0.10676536454666577,0.06090597901583813,0.04500223901755121,0.02455358108037463,22.75856055363318,40.87254187909689,38.78039215686273,39.28,25.86144790419165,321.00722634730545,0.5418704893722186,0.9731557590261165,0.9233426704014936,0.9352380952380953,0.6157487596236108,7.643029198745368,4.1764700000000055,71.68880000000006,76.05366454396582,118.2193395121981,152.10732908793165,9.506708067995728,76.05366454396582,0.010089606974266863,6.306004358916789E-4,-7.353999035808856,120.3229211827639,7.520182573922744,7.6642866213663785,273,1.0,0.0,1.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,4.0,9.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,5.0,0.0,3.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6270566584478192,0.0,8.715044757716045,10.618896373287608,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6270566584478192,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.940841586538962,0.0,0.0,1.4669552311665408,3.3338837153868996,0.0,0.940841586538962,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.552264951674292,0.0,4.613793917322056,0.0,6.48031256637182,0.0,0.0,0.0,0.0,4.138583806915788,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.715044757716045,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6270566584478192,0.0,8.715044757716045,1.2739337679516254,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6270566584478192,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.27669926303854875,0.0,0.0,0.35268884637188214,0.31280753850434173,0.0,0.27669926303854875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0719980631141346,0.0,0.1618068771356107,0.0,1.88130361866969,0.0,0.0,0.0,0.0,1.2739337679516254,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.715044757716045,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6270566584478192,0.0,8.715044757716045,2.3130432728647015,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6270566584478192,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.381410214740166,0.0,0.0,0.38268884637188205,0.5568903787410281,0.0,0.381410214740166,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1983371913580245,0.0,1.1606566515495085,0.0,2.3130432728647015,0.0,0.0,0.0,0.0,1.4669430272108845,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.715044757716045,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,32.5,2.03125,0.6270566584478192,8.715044757716045,0.03960282029478457,0.1618068771356107,7.149374329081509,1.3381931228643893,2.7150447577160453,7.732637314184933,1.3381931228643893,2.7150447577160453,7.732637314184933,7.83333,0.48958,0.0,0.01042,0.47064,0.74792,0.428,0.44931,0.72157,0.04264,0.02133,-0.02131,0.02635,0.6546,0.05969,0.0,0.29787,0.19149,0.0,10.75,0.67188,7.75,0.48438,3.0,0.1875,-4.75,-0.29688,0.0,0.0,17.56294,1.09768,22.76083,5.19789,0.32487,5.5371,0.34607,7.55773,2.02063,0.12629,0.35627,0.02227,0.35627,0.02227,0.0,15.01,1,1,1,1,1,1,0.6,1.0872033369264704,2.3358374676237377,3.2548308153783476,3.7013757559060494,4.129947184477478,4.445307005854539,45.66254015091176,98.10517364019698,136.7028942458906,155.45778174805406,173.4577817480541,186.70289424589063,0.2016207970869442,0.4331787772278505,0.6036051960941634,0.6864165192260997,0.7658946721184007,0.8243778430172217,4.30511408585229,3.056479955155023,2.137486607400413,1.6909416668727113,1.2623702383012825,0.9470104169242219,0.1991422208156244,0.4278535992006389,0.5961849223034632,0.6779782245591954,0.7564793320936098,0.8142435543435034,8.851334978265674,18.770941255624415,22.18600934511096,24.729796127040107,26.208594947230587,26.328854481088648,59.90890677136,38.79016575239075,32.33620008124566,26.333685339492906,22.849642306626354,21.809412941695538,16.0,10.173010380622838,11.324444444444444,16,2,12,3.0,2.1518,1.0129094569634634,7.0797326005929095,3.5430976088323587,0.0,8.690811208413585,7.970483836922933,0.0,0.5952753944880748,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.439,0.411,0.677,0.637,7.859999999999999,17.0,15.0,14.0,12.0,13.0,9.0,8.0,6.0,6.0,131.0,2.9444389791664403,3.295836866004329,3.295836866004329,3.295836866004329,3.367295829986474,3.6635616461296463,3.4965075614664802,3.4339872044851463,3.367295829986474,3.6109179126442243,5.720311776607412,2.3206106870229006,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.4666666666666667,12.0,0.8,0,6.0,12.0,1.0,3.5,1.333333333333334,0.75,0.2400000000000001,0.388888888888889,0.163265306122449,0.125,0.049382716049382706,0.08000000000000002,0.03305785123966942,0.23333333333333334,0.07843137254901965,0.05,0.01714285714285715,0.03240740740740742,0.012558869701726845,0.013888888888888888,0.006172839506172838,0.013333333333333336,0.005509641873278237,0.472037802995277,76.05366454396582,118.2193395121981,152.10732908793165,9.506708067995728,76.05366454396582,0.010089606974266863,6.306004358916789E-4,-7.353999035808856,120.3229211827639,7.520182573922744,7.6642866213663785,20.23,268.87707868696134,5.0,4.174387269895637,4.859812404361672,5.60947179518496,6.311734809152915,7.065613363597717,7.773594467360194,8.529319371214077,9.239996256883693,9.996659083423923,94.56058882107477,3.4339872044851463,0.0,4.59511985013459,0.0,5.8888779583328805,0.0,7.240649694255466,0.0,8.621733370690162,8.915835074176277,222.198365452,5.290437272666667,30.305528181673807,1.894095511354613,2.4057736925545274,2.4057736925545274,0.0,586.0,15.0,4.346,64.0,1.2261442401781464,2.1352642110297158,3.032605586328073,3.79226615008282,4.6704065401018555,5.436735618759001,6.3999195194228395,6.967060790074637,5.711159722113425,5.918623373573116,87.81926123154483,101.84000983257836,116.91606553378831,115.73909174712222,119.06897086108282,161.4867964462657,168.75528209769618,109.7676944214624,107.11850440103407,121.19003774552232,302.30581393224656,388.6698946648422,495.9251600817497,504.34435599052756,551.6279400865109,688.4127873892389,887.8807872342285,572.2481627478682,558.9035814003892,570.8901150463201,9.094871722664188,15.494955280380275,21.827197566813958,26.93633862990395,33.36756743642549,38.4316086531619,45.988047265230925,48.367985430563074,41.11943092349213,41.48707145944487,2.205956738390351,3.0201443200873013,4.028435199809232,4.2546606014132164,4.746625132959934,5.797091924407315,7.721979445247867,5.468217713540941,5.027969359367111,5.142675743812598,175.20533108941612,327.06469015296,465.56587686830824,608.06522041886,769.0375959821203,891.0131151817294,986.9331054488565,1197.5862975851487,963.0931659485889,1006.7205323818374,3.143093857986796,4.6869288240570395,6.251546105747199,6.995021981990994,8.795845883251802,9.89820269278806,13.29883046217758,10.47752801597023,11.282317161683611,10.069369517604724,0.46453509083174194,0.6430705772990071,0.8591230303031828,0.9209583941173595,1.041310077392446,1.2510408683600742,1.6665348778089297,1.2181024478876958,1.1399077911730062,1.1348225886006922,434.4549059554433,498.8908941118498,16.68233623487088,96.16689183872457,-110.42984207502364,-11.5707045887339,338.2880141167187,609.3207361868734,28.25304082360478,0.8187656590089267,0.9402005273544629,0.031439221502434556,0.1812343409910733,-0.20811403250693483,-0.021805935294844904,230.53124325857343,264.7223831367695,8.852011244353976,51.02824903574132,-58.596481331975085,-6.1396680706192095,0.1830236149792055,0.3410728521582087,2.5912686367628814,6.284548833173281,498.0378614708349,32.58393632333296,0.9385929178582813,0.06140708214171879,1026.3930744309923,32.03736996744571,10.087214074045642,1297.1896085275491,36.01651855090313,10.906058435214595,2110.736503364326,45.94275245742603,12.82757828129868,1.1303782696852118,1.10211236549656,2186.8129973209598,1209.8621619995547,1087.6453858273544,1.807489370282302,2.0105937337816093,1.1123682201614196,6.342424103844762,5.941618117987725,9.656379891553563,0.6252104561078612,12.355467198023277,11.136278678543597,16.170938242350655,23.53428783979896,28.11995492471758,18.433278218749216,28.71830158796697,28.406941620371825,21.65976863979749,21.338617096435797,25.13898685788636,15.948291454817355,15.704120842194758,8.244574445686558,13.197077568531869,11.262813995655238,3.1180987086244634,1.070705300536383,7.4486498712140786E-6,1.2344791562538894E-31,3.9460803286226695E-79,2.432898479140053E-148,2.8930634387870634E-239,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0604016797910942,10.171223439869047,1.0305156840284682,6.840009271149199,4.865139608446366,4.209887740781287,8.814635103132149,3.877856140563146,5.038547937649728,5.284475470847893,3.759346616271868,4.22215570724883,3.73830471249239,0.8076242875026793,0.8692807995988452,0.24945969439260515,0.09823602473965681,0.007541064982206488,5.246145008394195E-8,8.694537635036448E-34,2.779256640687302E-81,1.7135102915221444E-150,2.037608235153451E-241,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.282140229542211,10.054411117694691,3.4612567814264215,8.384289108452675,7.66377863926074,5.645541522430387,10.709083263655932,6.384686541311859,6.207927094806497,7.295661323312845,6.411324248999528,6.063949395866681,5.55772486064865,2.1667092274533,2.5663801881370043,1.263734870727211,0.42481603179418764,0.0785837112748127,5.466887578652969E-7,9.060378568083219E-33,2.8961997014094965E-80,1.7856098361039735E-149,2.123344881450594E-240,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.925655185746225,11.120017056814051,15.197722236483637,22.889343758696757,26.50840263834224,18.16463995329877,27.67319787385111,26.755007061346852,21.250956266718337,20.489607161537243,23.349686441101465,15.055028810336365,15.229637429954954,7.752510325932667,12.15254924625542,10.152111991843999,2.830689672682611,0.9539791462923305,6.636612933167495E-6,1.099898703224306E-31,3.5158865293780395E-79,2.1676687441227096E-148,2.577667438568805E-239,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.75832243014943,10.075307725322833,5.278346873623907,9.930332330747357,10.18923043240478,6.950891730399389,12.618570620469805,8.714206087453915,7.458699807434873,8.904883533174345,8.708423013469295,7.493132208123415,6.87039170678137,3.141943193711611,3.9746429722147614,2.3263393573825537,0.7350619736670455,0.1706943217553679,1.1874810342585323E-6,1.9680352957710365E-32,6.2909327608606316E-80,3.8785831690385928E-149,4.612188817926614E-240,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.134167857812548,11.692311651954016,20.780103146294064,29.777210652030195,36.07409990801355,23.59881438280625,36.14391609958756,38.16706746525414,28.869118220791965,27.292623738397303,32.94751792635606,19.52484924103286,19.60592513538476,10.207352094334142,17.393575358665448,15.870825151868086,4.298666030821703,1.561523054251031,1.08631558013351E-5,1.8003718311035212E-31,5.75498730046022E-79,3.548153784200071E-148,4.2192611308185505E-239,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.246757703725459,10.47781524894696,8.694748154558178,18.943282433140862,16.532216091713753,15.393423885831611,20.741856468416724,16.145641578047705,17.11470055976593,13.990048006306713,13.644033115300902,9.531176322640057,11.31420598074008,4.640978182950545,6.588076933275634,4.317628724591723,1.316912249563487,0.3430526060981214,2.3865378725854998E-6,3.955255395615879E-32,1.2643190800143831E-79,7.794975547262539E-149,9.269338180521028E-240,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.354549356243956,5.748959428580514,0.4890290970859672,0.5046281707337532,0.45653699694952427,0.4769451080974636,0.45029543006695955,0.4300008614110537,12.592537881910438,42.451014408573705,72.90878597376377,0.4417477515249163,1.3572413995754768,5.195895910656017,4.645900720053618,0.2511386009988241,0.514805236670135,0.46031215037007556,0.3170183562500166,0.29342185668238896,0.11168038522010652,10.09293523170846,26.611271589791798,42.766596351178435,0.4626760805603159,0.7221205981525121,5.715757633084297,5.120860049398095,0.3026804528462761,0.5131164965372975,0.4597111942948282,0.38197429670908667,0.35408580185177607,0.1649719904457025,11.139298135328668,32.54962726275932,52.54825964167914,0.45924153624818864,0.9010320890065653,6.289732798846856,5.688072711774905,0.49348911055680905,0.5043367982154575,0.4560932031960422,0.46806064060540714,0.4410450381608992,0.4384740835265335,12.471294621178568,41.68737408533558,71.81396089581726,0.44064500211724944,1.3475797622928398,5.9416300638938,5.334497422066842,0.33800104150698834,0.5115863880653407,0.45931103736717355,0.41284711609472263,0.38428266110063053,0.20522238275884538,11.614128527467631,35.5069530931366,57.83423089924993,0.45634613814877156,1.0023521599541985,6.431678310971032,5.8220228857619585,0.5182790099775909,0.5035772219245795,0.45584340028204745,0.4895128282012437,0.46199426577565705,0.4830840155777255,12.77198020671058,43.79621444513616,75.97534825594484,0.43913093330994046,1.4345911095546264,6.307536551851417,5.700325572167813,0.4926706560339231,0.504581417674951,0.45600660967536577,0.4707241066017889,0.4429389710259154,0.4369766023451665,12.500532780053152,41.87093321410727,72.08544529656325,0.44088204102547524,1.3506396799728708 +UMLCN0458,L,methyl levulinate,CC(=O)CCC(=O)OC,Esters,Ketones,C6H10O3,NREL (2014),IQT,PubChem,,7.8,0,-0.17310000000000048,0.029963610000000165,31.857200000000002,19.633929999999992,0,0,19,9,10,0,6,0,3,0,0,0.0,0.0,0.0,0.0,0.0,1643.6493689999988,1466.7833199999993,1791.3678969999987,1495.940558999999,1137.330400999999,1149.5775729999987,475.60771,121.02350400000002,9.144576,3501.1111856983534,4052.3517790057913,4878.190019664509,4720.765763350421,3827.2136156460933,2752.6553239650016,1749.0405032750884,934.4605900995122,279.75369987837234,152.482884,141.47392000000002,244.10448400000016,260.28303600000015,241.91030000000012,191.8743400000001,136.06508800000003,71.119296,60.46617599999999,23.109141048489988,27.64840310000001,34.56635860679201,33.67795521339602,28.211852403093992,20.997697338187983,13.345158275094004,8.285569817999999,4.001516143641,3166.2965141899904,2651.776215149001,5025.244094946843,5237.556052847147,5021.008576964844,4248.375790519189,2960.1168999660936,1474.28811636585,1664.258868218241,138.30555555555554,64.75,112.25000000000001,129.19444444444446,114.5,123.33333333333334,60.5,33.0,9.0,86.50786152631572,81.48796222222218,57.78606119354835,46.74814246874997,37.91101336666664,45.98310291999994,27.97692411764706,13.447056000000002,1.016064,184.26900977359756,225.13065438921063,157.36096837627449,147.52393010470067,127.57378718820311,110.10621295860007,102.88473548676991,103.82895445550135,31.08374443093026,8.025414947368422,7.859662222222223,7.874338193548392,8.133844875000005,8.063676666666671,7.674973600000004,8.003828705882356,7.902144000000001,6.718463999999999,1.216270581499473,1.536022394444445,1.1150438260255486,1.0524361004186256,0.9403950801031331,0.8399078935275193,0.7850093102996473,0.9206188686666665,0.444612904849,166.64718495736793,147.32090084161118,162.1046482240917,163.67362665147334,167.3669525654948,169.93503162076755,174.12452352741727,163.80979070731667,184.917652024249,7.27923976608187,3.5972222222222223,3.6209677419354844,4.037326388888889,3.816666666666667,4.933333333333334,3.5588235294117645,3.6666666666666665,1.0,0.3682844812886222,-0.18318275362368672,0.08714185035522427,-0.01384353704278313,-0.2417732595669949,0.23340972012771122,-0.03600443751849658,-0.04476978272016346,0.01487995934487817,752.2177664210528,-6.056186714681282,160.1595005761773,-437.52405365650947,-382.8360943490304,456.79754344598314,-132.52493300831043,-341.2465950415512,307.12193553739587,875.3230922526714,-129.64669625244142,75.35997588920213,-328.1169325368624,-246.5746699234628,169.55944882291365,59.956442022510856,-381.99114148196065,343.79202733376474,2.6367701052631576,-0.06046599445983393,0.493731301939058,-1.4966330193905788,-1.3811915346260366,1.9981972299168949,-0.825230515235456,-0.46792520775623225,0.421132686980607,3.9208166882321054,-1.0195687852767277,-0.08262817566617088,-0.8366337329175451,-0.4654943902456408,-0.17222913977161342,0.7304917649936935,-1.143458852320471,1.0291129670884216,22.53094870870577,-6.348402901751773,-0.9670996364942831,-4.116961653683742,-2.0379014702093547,-1.651998457484361,4.397504540288279,-5.4061477501764195,4.865532975158765,62.970760233918156,-1.274930747922437,9.824022776238843,-35.64081255771006,-32.71114188981224,46.89812249923057,-12.476762080640192,-14.946675900277013,8.84279778393352,0.019383393752032747,-0.010176819645760372,0.002811027430813686,-4.3261053258697283E-4,-0.008059108652233164,0.009336388805108448,-0.002117908089323328,-0.004974420302240384,0.0016533288160975744,39.59040875900278,-0.33645481748229344,5.166435502457332,-13.67262667676592,-12.76120314496768,18.271901737839325,-7.7955842946064955,-37.916288337950135,34.1246595041551,46.069636434351125,-7.202594236246745,2.4309669641678107,-10.25365414177695,-8.219155664115426,6.782377952916546,3.526849530735933,-42.4434601646623,38.19911414819608,0.1387773739612188,-0.0033592219144352184,0.015926816191582517,-0.04676978185595559,-0.04603971782086789,0.07992788919667579,-0.04854297148443859,-0.051991689750692474,0.046792520775623,0.20635877306484765,-0.05664271029315154,-0.002665425021489383,-0.026144804153673283,-0.015516479674854694,-0.006889165590864537,0.04297010382315844,-0.12705098359116343,0.11434588523204685,1.1858394057213562,-0.3526890500973207,-0.03119676246755752,-0.12865505167761693,-0.0679300490069785,-0.06607993829937443,0.2586767376640164,-0.6006830833529355,0.5406147750176405,3.3142505386272716,-0.07082948599569094,0.3169039605238336,-1.1137753924284395,-1.0903713963270747,1.8759248999692226,-0.7339271812141289,-1.6607417666974458,0.9825330871037244,-0.5250277518968072,0.14502245926459045,-0.02231861654988073,-0.415773870939809,0.4816694601856982,-0.1092640492380867,-0.256633093558176,0.08529614768436455,-0.00849839211134147,0.1304971497997604,-0.3453519957319661,-0.3223306741450556,0.46152344243438337,-0.1969058804636311,-0.9577139899907714,0.8619425909916937,-0.15634146031324528,0.052767227013651816,-0.222568592578071,-0.17840721786089325,0.14722013191012223,0.07655475067101226,-0.9212892362444384,0.8291603126199948,-0.024205832828152155,0.11476522243484193,-0.3370130196369428,-0.33175233474106264,0.5759432313441206,-0.34979024389093766,-0.37464096824041,0.3371768714163674,-0.2744865626592562,-0.012916460889461584,-0.12669586936077273,-0.07519176163147027,-0.033384408564493824,0.20823007999594575,-0.6156800687666331,0.5541120618899686,-0.2974172121416196,-0.02630774649336287,-0.10849281197512152,-0.05728435796553419,-0.0557241882674471,0.21813808549114722,-0.5065467385000036,0.4558920646500021,-0.02137119242199106,0.09561858912908014,-0.33605648681277844,-0.3289948613174836,0.5660178306092126,-0.2214458963377325,-0.5010911961367012,0.2964570950965824,1.3830765545382324,0.8610950355474744,1.272400951726031,1.3983487131561454,0.3327323425872526,1.1121869939343665,1.0450809703728807,0.012463096833471358,0.847013140930472,0.7987476024962114,1.3232045350935135,1.308508013554481,0.47874579101395853,1.2158043624686983,1.8619425909916945,0.0,1.364678284958791,0.9500949758712621,1.1536147799795342,1.064399714870448,0.7690531671650623,0.7321417776804485,1.8291603126199951,0.0,0.6703307188108448,0.7643806321897172,1.4648294962425323,1.463284338781945,0.2510329431749754,1.5385151763636742,1.3371768714163688,0.0,1.6677569864133122,1.0469580908332208,1.0943020074151995,0.9555950382696144,0.8776149190276609,0.5242221476855582,1.5541120618899698,0.0,1.7066539924431696,1.0614191570109204,1.096521142448868,0.9500204750072787,0.8764467951632662,0.5160438234806262,1.4558920646500033,0.0,0.5531667904903415,0.5764324102478069,1.6095019676355866,1.5750696508172355,0.24979847696879628,1.287011897998426,1.810364041604754,0.0,39.951097892880135,20.350548946440075,32.5457851250781,40.53443122621348,4.503825691801499,20.350548952714647,0.7500000000000142,0.06298944375630167,0.006998827084033519,-2.4883093134486325,35.45410479330518,3.9393449770339086,3.2114151336071743,39.96331774405526,20.35555724067567,32.55232167471185,40.54493742861887,4.504993047624319,20.355557246915833,0.7477967372960741,0.06279137621176134,0.006976819579084593,-2.491143782765588,35.46510016492346,3.940566684991496,3.2116942070835783,50.95657015996157,24.87979336289375,38.688556332603305,50.02558304449285,5.558398116054762,24.879793362943303,-1.1969834341740686,0.10597401025484748,0.011774890028316387,-2.0201052610873464,84.22375967037848,9.358195518930943,3.9901293565209217,39.97614326815274,20.36081383440478,32.55918288214631,40.5559644686636,4.506218274295955,20.360813840609037,0.7454844006568244,0.06258351714835003,0.006953724127594448,-2.4941280058975925,35.47666482142207,3.9418516468246745,3.2119876362347406,62.83370748994432,29.79341234846344,45.8688118987227,60.30835420648631,6.700928245165144,29.793412348463754,-3.246882793017434,0.2610265801486462,0.029002953349849578,-1.2088197334752868,45.127472337877236,5.014163593097471,3.428542083422899,41.23358000067672,20.87649127915581,33.23523226675883,41.63755976772609,4.626395529747343,20.876491282685606,0.5194025576349048,0.04232989877715626,0.004703322086350696,-2.8460354541581254,36.74424657459924,4.08269406384436,3.243583491848541,41.11413601264462,20.9203422389149,34.93049816632108,41.649678394779606,4.627742043864401,20.920342243756604,1.9306878306878268,0.1311613186044685,0.014573479844940944,-1.8281945462870033,30.88624708928126,3.431805232142362,3.0872799061292633,0,11.996355202902864,15.998702141315626,-0.3497967459434096,0.26129989862883585,3.9776367453200216,6.900843229606263,8.0,18.0,16.0,16.0,6.0,2.0,2.0,0.0,0.0,2.0,14.764069999999998,3.587377891412973,3.3027230597729487,2.7199879754087433,2.371932208023273,2.0245785185427967,1.4351459639523616,1.0865374960640388,0.08392307051869155,1.7911945530985496,1.4950334851773428,1.3660538416475436,0.9272560320506636,0.41319866237680763,0.20376733642842293,0.08392307051869097,0.08392307051869104,3.505832951586085,3.1377053402928072,2.6942965178202236,2.321940231158887,1.8555030431794615,1.4115580518796513,0.634216839970213,0.27091390189293785,1.7933014053527272,1.5165247366263852,1.2891765243140616,0.9187364662299178,0.5058342605533385,0.30942666198857877,0.2709139018929369,0.27091390189293707,3.667450976478285,3.3764811409379214,2.9642749393725727,2.6216926376174383,2.2529556939606104,1.8714429188410475,1.2559499807307641,0.9439184268026226,1.601536992407923,1.2381789921253632,0.9591135493272931,0.565627506342488,0.07226295312755786,0.1941337592885583,0.9439184268026212,0.9439184268026217,3.4946888700553718,3.099756872547037,2.713108670760943,2.3285920336800574,1.8175528954384585,1.430432753260302,0.46514421484281815,0.3992772455089826,1.798395079485333,1.5376847247410057,1.2413365607920253,0.9042128285895749,0.5349001382516828,0.29491943381518554,0.3992772455089817,0.3992772455089818,3.6857071407489044,3.3822465187816,3.0531437305332596,2.697937980628439,2.2915896505626385,2.001525349559481,1.209058027848015,1.2076448229620893,1.574471881984696,1.2172910772928212,0.866739562890874,0.4902782310178359,0.02356338388270181,0.3098732498405657,1.2076448229620869,1.2076448229620877,4.813780433670722,4.778499018396635,3.2738754992112433,2.996095627329197,2.738890497892774,1.9943682741691826,1.7107592208428994,0.5806451612903231,1.6343506557393133,1.1659246477012006,1.0322975212165317,0.5919101754127903,0.1540883174313651,0.4479970788677405,0.5806451612903214,0.5806451612903221,0,0,1,1,0,1,2,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696923425058676,0.0,0.0,0.0,0.20326313239628543,0.0,0.0,0.0,0.7814744144215573,0.48864194209635614,0.6380711874576984,0.20265430438151139,0.11353103630798289,0.09183850605133047,7.276020881938894,4.163902460147014,3.48461712529338,1.933739640741713,0.8219752754296894,0.6868867239266071,0.23570226039551587,0.0,0.8084467646598772,0.5204878075183768,0.38717968058815333,0.27624852010595896,0.16439505508593788,0.13737734478532143,0.11785113019775793,0.0,5.638958433764684,2.7277275073462053,1.7781477162826895,0.9088571184786371,0.38015518153991446,0.19475977559061533,0.07186436964131622,0.0,0.6265509370849649,0.34096593841827566,0.1975719684758544,0.12983673121123387,0.07603103630798289,0.03895195511812306,0.03593218482065811,0.0,10.853536332179933,19.431172614712306,18.674509803921573,19.000000000000004,11.43349101796407,146.34753293413175,0.5712387543252596,1.022693295511174,0.9828689370485039,1.0000000000000002,0.6017626851560036,7.702501733375355,0.5286,31.930999999999987,23.92919900345127,36.93277988032802,47.85839800690253,5.317599778544726,23.929199003585488,0.014242783136103276,0.0015825314595670308,-3.8263544524296993,40.23273760067747,4.470304177853052,3.3252129291448687,74,0.0,0.0,3.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.907596371882086,-0.31425925925925857,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1881944444444446,1.6620833333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.7553665910808767,0.0,0.4846296296296295,0.0,0.0,0.0,0.0,0.0,0.0,-0.31425925925925857,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.59815192743764,4.309444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.309444444444445,-0.3285185185185182,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5697916666666667,0.4738888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3080054799697658,0.0,0.2002314814814814,0.0,0.0,0.0,0.0,0.0,0.0,-0.3285185185185182,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.256346371882087,4.309444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.341805555555556,0.014259259259259638,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6184027777777779,0.6184027777777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4473611111111109,0.0,0.2843981481481481,0.0,0.0,0.0,0.0,0.0,0.0,0.014259259259259638,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.341805555555556,4.309444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,27.833333333333336,3.092592592592593,0.6184027777777779,10.341805555555556,0.36583333333333334,-0.3285185185185182,1.4682204043839755,1.995185185185185,3.3418055555555557,14.815192743764173,1.995185185185185,3.3418055555555557,14.815192743764173,3.99999,0.44444,0.0,0.05556,0.61053,0.95556,0.42414,0.61053,0.95556,0.18639,0.0,-0.18639,0.0,0.46511,0.24918,0.0,0.41667,0.25,0.0,8.0,0.88889,5.0,0.55556,3.0,0.33333,-2.0,-0.22222,0.0,0.0,5.5223,0.61359,10.42243,4.90013,0.54446,2.29638,0.25515,4.16389,1.8675,0.2075,0.25011,0.02779,0.25011,0.02779,0.0,8.03,3,3,3,3,0,0,0.6666666666666666,1.4329831210560051,2.2890179898186584,3.326360407952695,3.5368867237421684,3.536886723742169,3.3133115914556646,27.2266793000641,43.49134180655451,63.20084775110121,67.2008477511012,67.20084775110121,62.95292023765763,0.337336999400528,0.538855237659897,0.7830548891019514,0.8326146603370331,0.8326146603370332,0.7799830813896649,2.81494439238758,1.9589095236249268,0.9215671054908903,0.7110407897014168,0.7110407897014164,0.9346159219879207,0.3315610740380333,0.5296288923747849,0.7696473275174621,0.8183585302879376,0.8183585302879377,0.7666281156725296,13.518296257685599,24.369953649092597,28.150072731790857,28.362246422738224,28.362246422738227,25.67934483530017,33.87020344840431,21.600924370455672,17.8303084868798,17.304865323324606,17.304865323324606,15.96341452960558,9.0,4.839506172839506,5.877551020408164,9,3,5,1.79,1.0441,0.16666666666666669,1.3731780959380786,1.5905414575341013,0.0,1.0,2.8284271247461903,0.0,0.33333333333333337,0.0,0.0,0.19999999999999996,0.6324555320336759,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.758,0.7450000000000001,1.029,0.219,3.9779999999999993,9.0,7.0,5.0,5.0,2.0,0.0,0.0,0.0,0.0,45.0,2.3978952727983707,2.6390573296152584,2.3978952727983707,2.0794415416798357,2.3978952727983707,1.3862943611198906,0.0,0.0,0.0,0.0,4.143134726391533,1.3777777777777778,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.5,6.0,0.75,0,3.0,6.0,1.0,2.5,0.8888888888888893,0.25,0.32000000000000006,0.11111111111111112,0.0,0.0,0.0,0.0,0.0,0.3125,0.09876543209876548,0.03571428571428571,0.06400000000000002,0.022222222222222223,0.0,0.0,0.0,0.0,0.0,0.5332019400352734,23.92919900345127,36.93277988032802,47.85839800690253,5.317599778544726,23.929199003585488,0.014242783136103276,0.0015825314595670308,-3.8263544524296993,40.23273760067747,4.470304177853052,3.3252129291448687,43.370000000000005,133.4301291560834,4.169925001442312,3.5553480614894135,4.204692619390966,4.9344739331306915,5.616771097666572,6.343880434126331,7.037905963447182,7.760893195851024,8.460622839927844,9.1801903950253,74.09477854005533,2.833213344056216,0.0,3.970291913552122,0.0,5.25227342804663,0.0,6.586171654854675,0.0,7.946971357693591,8.247482004285693,130.06299418,6.8454207463157895,16.49232990879588,1.83248110097732,7.484960435065268,7.484960435065268,0.0,104.0,7.0,-0.12400000000000003,34.0,1.2408888888888887,2.1271234661479714,2.934951236756296,3.671823550925491,4.86220806613472,5.859489044288617,7.277177803121969,7.984893463571377,0.0,0.0,111.01929715411106,135.70026156986714,146.03814198150377,161.83447038905564,241.23270981858747,180.75289645641672,96.92288267479287,8.113162792170188,0.0,0.0,300.009394916125,359.6705865887403,456.3935869235734,519.397443557696,575.9096721832475,649.8592537170458,763.1825883337929,248.20038772985825,0.0,0.0,9.809670659111111,16.903082017971606,23.87494219662303,29.399036689891965,37.5571289545423,47.19356000983285,56.95863256900527,53.64621927883962,0.0,0.0,2.009568345016666,2.4972022938995315,3.227464276236783,3.7763963752572183,4.301936264906408,4.872866697744888,6.833944131831861,3.550186677748263,0.0,0.0,181.22211176093427,341.27623456679925,477.66325902946863,603.1841634707617,818.8725770369325,1012.0863159316885,1184.6257425370832,1476.5477509473922,0.0,0.0,4.54674537037037,8.182382995571666,11.790722427987316,13.521655066065978,24.394224743161512,21.268268396219934,25.52159589450519,7.984893463571377,0.0,0.0,0.47495583333333335,0.6253999434575986,0.8266349033510005,0.9693422242772305,1.1220937490704979,1.3046032405046495,1.6693133011199137,0.817653090669709,0.0,0.0,389.1240147087858,346.55259915569513,21.762924957145447,162.74954473951885,-144.94422243020944,-27.771262351400637,226.37446996926695,491.49682158590457,49.53418730854608,0.7050963178917,0.6279565187035521,0.039434621544292406,0.29490368210830004,-0.26264027320878874,-0.05032178453913055,214.74725506415206,191.253216432115,12.0103828601062,89.81717055398937,-79.99088395402647,-15.326225404240164,0.29336103799087737,0.3583617702195743,1.8820650432491257,6.1744704925126035,451.392344598344,100.4812148499607,0.8179271082484738,0.18207289175152633,719.8723431835353,26.830436880221228,8.962279756376532,816.7427040014117,28.578710677730225,9.347491692785686,1222.7273296623637,34.96751820850836,10.693253760276614,2.3862367956044817,2.3862367956044817,820.9439305614842,733.121117211573,101.22297651908184,1.1197930482263903,8.110252818012377,7.24263544130586,4.360179943377006,4.588426500371063,8.709579964582165,0.8981626847194408,2.815446628029126,4.380099818015736,4.634083828867629,9.89712428762558,5.574622039171549,2.47898691767235,2.6258837306532556,4.151809090638941,1.6603488042657264,0.7475299829580555,2.5264657400822403,1.2136682519657236,1.2446345490639215,0.6784188268899916,3.5314180867199596,0.024751408914827466,4.345356724409131E-4,1.4719108467499538E-27,9.616421291530466E-73,1.2117732518012603E-139,2.945134594743394E-228,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.26928221099534094,4.53117285221698,0.45217438367155677,4.329350897852224,0.4798718244419542,1.1560026671674914,0.7281280894593034,0.16397562627033663,1.3533000581430557,0.029074209864468792,1.536396278665058,0.10990400236646754,0.07857259203306811,0.05918716805844607,0.09759117113472822,1.7433828948451807E-4,3.060470270934545E-6,1.0366788444870122E-29,6.772924144567873E-75,8.534618093421828E-142,2.074282376054786E-230,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.7744804417967937,4.249965138926955,0.9287407227381587,4.049633130135545,1.153344423180295,1.2179372255728853,0.8200789169211504,0.6024879180055077,1.24304744666665,0.11603159842023482,1.5135866943787064,0.30650786040323885,0.23261786555861483,0.18558536796941083,0.44601555171693374,0.0018166444452515907,3.189245985811982E-5,1.0802992843145047E-28,7.0579091538360886E-74,8.893730075859315E-141,2.1615621638609116E-229,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6677778956001577,4.530733718574777,5.36879943477534,11.108090804651301,6.033384483344234,2.6566321945623574,2.9189617085166866,3.776680582568485,1.8053699374346115,0.6824313470131692,2.6414239529501193,1.2356687420457932,1.226256591508916,0.6405098436413069,3.196501352284947,0.02205306805660482,3.871634609634231E-4,1.3114460648447775E-27,8.56805824110458E-73,1.0796681511437285E-139,2.6240619010606278E-228,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.1262845056357425,4.143113241321475,1.0828956704236765,3.9594302100556855,1.4962134216009637,1.2808414417744336,0.8870606959805082,1.0151577234710056,1.211403604232051,0.19344917680810347,1.5577223782022507,0.4247081014839762,0.3423269254265454,0.2723538240498559,0.7898604045296709,0.003945964729828237,6.92746844936957E-5,2.3465544022813593E-28,1.533072180673073E-73,1.9318370163924022E-140,4.6952018621683916E-229,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.4001055852221733,4.475594487438394,6.516507360339612,13.117321871790127,7.588466672411973,3.002013488117904,3.4571445287985085,5.696044463008005,1.8732781412942696,1.0125489690746121,2.907049006346372,1.53864437989213,1.6739610461308478,0.8187788024326746,4.913051844935746,0.03609756428293081,6.337294399091089E-4,2.1466436374883098E-27,1.4024646687298853E-72,1.7672574033959752E-139,4.29520201805172E-228,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7965396121900532,4.553870729184738,5.523199028304219,15.939732191387586,7.652758162738112,2.9577928874128085,3.241979869348394,1.658305815969423,3.1432643461031966,0.30425284187557605,3.172912035529084,1.0024464005254825,0.8127871902009111,0.45911357630898986,1.5095150826969157,0.008344960927540994,1.465031819675919E-4,4.9625298058999475E-28,3.242164930755328E-73,4.0854790175193365E-140,9.92948604263121E-229,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.528023213140368,0.7641238276768137,0.3498979105263157,0.8710928091122758,0.08841933037596879,0.5481631671245485,0.48305412970234474,0.42103638851777997,8.642044951343497,8.653746835823627,19.308524202971483,0.8066392136684138,1.452253685344673,5.595431967233764,0.7499517069732609,0.051491396251815286,0.8747133413741048,0.1172371976492997,0.309861289570056,0.48889442404785627,0.009118140304517425,6.396875070458839,4.523036420218105,11.135985030122734,0.8120700120611573,0.8078738539224296,6.429174741116375,0.6331887064952868,0.16594148679012063,0.8894443164009179,0.0875985050771367,0.40103847640740015,0.35080612583050863,0.09469932591287616,7.228304934401782,5.2428199289085295,13.146652882139936,0.8341664746013768,0.8465439281507849,7.312620916510336,0.8130604417367799,0.3229463678848533,0.8655394880155608,0.09623579924369836,0.5176357447367003,0.5611505969644491,0.358672221541512,8.448627726131969,8.569762073867079,18.938500626765435,0.7983092320233411,1.4374585632426613,6.896106563322523,0.5901332360005915,0.2321617431098732,0.8934630474211813,0.07645795994886401,0.46015604883248284,0.29235119942102356,0.18536094952308926,7.7184015424329875,5.807640163167801,14.470852169095924,0.840194571131772,0.9378681977765957,7.630387844113255,0.7999265561590703,0.3698982344058258,0.8670685767347166,0.09089854863357241,0.5631651150109016,0.5289823798990392,0.47054531148591044,8.80021263467815,9.222108282446289,20.28008721740303,0.8006028651020749,1.5626928063958512,7.331096602036335,0.8244945999067592,0.3252069463988342,0.8644347470372974,0.09721898640730592,0.520487579277006,0.5820863218173286,0.3637111045523175,8.480798148341929,8.696704470634863,19.14319960297259,0.796652120555946,1.466285005646652 +UMLCN0459,L,methyl acetate,CC(=O)OC,Esters,,C3H6O2,NREL (2014),IQT,PubChem,,19.5,0,0.021099999999999564,4.452099999999816E-4,17.4128,10.884758000000001,0,0,11,5,6,0,3,0,2,0,0,0.0,0.0,0.0,0.0,0.0,950.8247490000001,793.398616,875.3587239999999,469.5113259999998,121.02350400000002,9.144576,0.0,0.0,0.0,1889.8347257622843,2020.1251061999058,2022.119890438867,1562.5380366895072,934.4605900995122,279.75369987837234,0.0,0.0,0.0,89.63576399999998,80.34796,131.037184,95.75430400000002,71.119296,60.46617599999999,0.0,0.0,0.0,12.320785429094002,13.48818586,13.723398317094004,10.677480846000002,8.285569817999999,4.001516143641,0.0,0.0,0.0,1860.7915520204942,1505.5596276124002,2743.358684095144,1850.6109878205996,1474.28811636585,1664.258868218241,0.0,0.0,0.0,78.02777777777777,39.833333333333336,70.33333333333334,54.5,33.0,9.0,0.0,0.0,0.0,86.43861354545456,79.33986159999999,54.709920249999996,42.682847818181806,13.447056000000002,1.016064,0.0,0.0,0.0,171.80315688748038,202.01251061999056,126.38249315242919,142.04891242631882,103.82895445550135,31.08374443093026,0.0,0.0,0.0,8.148705818181817,8.034796,8.189824,8.70493672727273,7.902144000000001,6.718463999999999,0.0,0.0,0.0,1.1200714026449092,1.348818586,0.8577123948183752,0.9706800769090911,0.9206188686666665,0.444612904849,0.0,0.0,0.0,169.16286836549946,150.55596276124,171.4599177559465,168.23736252914543,163.80979070731667,184.917652024249,0.0,0.0,0.0,7.0934343434343425,3.9833333333333334,4.395833333333334,4.954545454545454,3.6666666666666665,1.0,0.0,0.0,0.0,0.2537009889612945,-0.15049821434320484,0.07057345679778107,-0.028387937028026486,-0.0345336584818013,0.015995858574604286,0.0,0.0,0.0,451.94309072727276,-6.799068661156902,158.3903263966942,-332.2389565454544,-340.45438150413213,295.130534950413,0.0,0.0,0.0,478.2138737282287,-139.884708066002,140.14284378046344,-159.53161542479572,-377.7030918722636,297.8696347184835,0.0,0.0,0.0,1.7188909090909088,-0.08020628099173552,0.36184595041322315,-1.169680727272726,-0.4688140165289255,0.4974096198347095,0.0,0.0,0.0,2.07777748377,-1.109015116484,0.34240929286599997,0.04305755933799981,-1.11556912563,0.8002286480250003,0.0,0.0,0.0,11.978450180042712,-6.9214096500137385,1.5176908624374832,1.0353109754925458,-5.239681895012223,3.618864617074574,0.0,0.0,0.0,33.358585858585855,-2.1795224977043155,10.031450872359962,-18.717171717171716,-15.088842975206608,9.274793388429753,0.0,0.0,0.0,0.023063726269208593,-0.015049821434320484,0.004410841049861317,-0.002580721548002408,-0.003837073164644589,0.0017773176194004763,0.0,0.0,0.0,41.08573552066116,-0.6799068661156902,9.899395399793388,-30.203541504132218,-37.82826461157023,32.792281661157,0.0,0.0,0.0,43.473988520748065,-13.9884708066002,8.758927736278965,-14.502874129526884,-41.967010208029286,33.0966260798315,0.0,0.0,0.0,0.15626280991735533,-0.008020628099173551,0.022615371900826447,-0.10633461157024783,-0.05209044628099172,0.055267735537189944,0.0,0.0,0.0,0.18888886216090908,-0.11090151164840001,0.021400580804124998,0.003914323576181801,-0.12395212507,0.08891429422500002,0.0,0.0,0.0,1.0889500163675192,-0.6921409650013739,0.0948556789023427,0.09411917959023143,-0.5821868772235803,0.40209606856384156,0.0,0.0,0.0,3.032598714416896,-0.21795224977043154,0.6269656795224976,-1.7015610651974287,-1.6765381083562898,1.030532598714417,0.0,0.0,0.0,-0.6525320869079541,0.19124581164276322,-0.11189525568762149,-0.16636831012720193,0.07706116516710909,0.0,0.0,0.0,-0.01654848957915769,0.2409448260897067,-0.7351344967146441,-0.9207152831071307,0.7981427433535039,0.0,0.0,0.0,-0.3217664466172495,0.20147513569174233,-0.33359888574763163,-0.9653360925924804,0.7612972079623211,0.0,0.0,0.0,-0.05132781180253652,0.14472651498323447,-0.6804857254677958,-0.3333515268830853,0.3536845111541261,0.0,0.0,0.0,-0.5871257329822134,0.11329720852410265,0.02072289245327392,-0.6562172255789687,0.47072280074013284,0.0,0.0,0.0,-0.6356039805299725,0.08710746818183529,0.08643112923051403,-0.5346314049983842,0.369251170871129,0.0,0.0,0.0,-0.07186979560938682,0.2067420514761544,-0.5610900832702498,-0.5528387585162755,0.3398183194549584,0.0,0.0,0.0,1.5715160880076644,1.003676005438641,1.550325798023393,0.6779593561411984,0.007867227708554803,0.0,0.0,0.0,0.8564225251837511,0.7393053046509093,1.7374297907328753,1.7216846861873674,0.0,0.0,0.0,0.0,1.5203558326162725,0.6499585126267592,1.1506020273356676,1.8600536856796441,0.0,0.0,0.0,0.0,0.7608650398248341,0.9278526586911221,2.02632670114979,1.1395681500051122,0.0,0.0,0.0,0.0,1.9970419772853403,0.6889819303433844,0.8493302627375092,1.6292484946155386,0.0,0.0,0.0,0.0,2.065310226886861,0.7179523717607266,0.8333916857674923,1.521372359946374,0.0,0.0,0.0,0.0,0.6020439061317184,0.5592117713853142,2.085919757759273,1.8985616956850873,0.0,0.0,0.0,0.0,10.525659538431064,5.51282976921553,8.411968132384828,10.825659538431063,2.1651319076862126,5.5237840156426925,0.49999999999999556,0.03968956352716568,0.007937912705433137,-1.6133335046478054,13.97171850010852,2.7943437000217037,1.3185175896558288,10.533800504981475,5.516165831589429,8.417642636395819,10.832919199899905,2.166583839979981,5.527077723675782,0.4985311581973848,0.04005761954336817,0.008011523908673634,-1.6087181863962055,13.958369846175568,2.791673969235114,1.3180396586595566,17.80969647322965,8.5058537585568,13.734859846073721,17.330903099560025,3.466180619912005,8.506241472801603,-0.7979889561160523,0.18713652566761918,0.03742730513352384,-0.8379584223625053,11.225595911175544,2.2451191822351086,1.209098260037245,10.542344871937118,5.519667236187497,8.423599775251544,10.840538632199845,2.1681077264399686,5.530534855461773,0.49698960043787643,0.040442964389238334,0.008088592877847666,-1.6039312920614002,13.944450422021683,2.7888900844043367,1.3175408049532025,25.573397948259853,11.704404709790772,19.548066603780537,24.274644831052868,4.854928966210574,11.704417988609412,-2.16458852867831,0.22763412681209516,0.04552682536241903,-0.7400078229567454,11.022507225436591,2.204501445087318,1.1999696468833911,11.379499183401375,5.86288377757899,9.013657841902148,11.587260206455337,2.3174520412910673,5.870194459729341,0.3462683717566044,0.0738728032664896,0.014774560653297918,-1.3027052697576964,12.927002315363245,2.585400463072649,1.2796591632062173,8.614105778775118,4.70258145466492,7.135844212010449,8.937861322028253,1.7875722644056506,4.734045284075967,1.1682539682539703,0.12951812090969606,0.02590362418193921,-1.0219672389136019,36.76087145494985,7.35217429098997,1.8022170019077854,0,11.996548717499211,15.998257667556485,-0.34978202976364675,0.25807073041436474,3.4073715456918823,4.972760266100603,4.0,10.0,9.0,9.0,3.0,1.0,1.0,0.0,0.0,1.0,9.433242,3.4323852345623296,2.684892133514018,2.076373766524,1.0884894341167342,0.08392307051869134,0.08392307051869119,0.08392307051869112,0.08392307051869097,1.5980131594456293,1.3695701442294672,0.4826531771225819,0.08392307051869097,0.08392307051869112,0.08392307051869119,0.08392307051869134,1.0884894341167342,3.263032281943693,2.6620196179402282,1.9696741128315851,0.6342590877752426,0.2709139018929373,0.2709139018929372,0.2709139018929371,0.27091390189293707,1.6336085793800637,1.2930727007034115,0.630877807787688,0.27091390189293707,0.2709139018929371,0.2709139018929372,0.2709139018929373,0.6342590877752426,3.505419472843302,2.9485139263216293,2.35704892352775,1.255984684674762,0.9439184268026223,0.9439184268026218,0.9439184268026218,0.9439184268026214,1.3629764710829022,0.9445517958634454,0.2102763223584582,0.9439184268026214,0.9439184268026218,0.9439184268026218,0.9439184268026223,1.255984684674762,3.22514476331342,2.6843171951286324,1.9493281091807166,0.4651444792511583,0.3992772455089825,0.3992772455089822,0.399277245508982,0.3992772455089819,1.6616010530436913,1.2434029712049632,0.659896989691144,0.3992772455089819,0.399277245508982,0.3992772455089822,0.3992772455089825,0.4651444792511583,3.5083960606267715,3.043632801924764,2.4181695741948688,1.2090580278507397,1.2076448229620882,1.2076448229620877,1.207644822962087,1.2076448229620869,1.343694440251459,0.846294431764435,0.15520580026665798,1.2076448229620869,1.207644822962087,1.2076448229620877,1.2076448229620882,1.2090580278507397,4.516490876080252,3.1323868060205866,2.6829431134400816,1.7156764573152667,0.5294117647058825,0.5294117647058825,0.5294117647058824,0.5294117647058822,1.3416966514468758,1.0869855841375617,0.001167958448220617,0.5294117647058822,0.5294117647058824,0.5294117647058825,0.5294117647058825,1.7156764573152667,0,0,1,0,0,1,0,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.08333333333333333,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.08333333333333333,0.0,0.0,4.284457050376173,2.2700556100296625,1.8020951405812151,0.8164965809277261,0.0,0.0,0.0,0.0,0.8568914100752346,0.5675139025074156,0.4505237851453038,0.4082482904638631,0.0,0.0,0.0,0.0,3.3164965809277263,1.3164965809277263,0.695705769029128,0.2874574785652649,0.0,0.0,0.0,0.0,0.6632993161855453,0.32912414523193156,0.173926442257282,0.14372873928263244,0.0,0.0,0.0,0.0,6.055081620191331,11.324836125273123,10.87450980392157,11.080000000000002,6.356142514970058,85.39380718562876,0.5504619654719392,1.029530556843011,0.9885918003565064,1.0072727272727275,0.5778311377245507,7.763073380511705,0.17929999999999996,17.69,7.459294270913435,11.32198879388198,14.918588541826864,2.983717708365373,7.460499637077925,0.06081016321964117,0.012162032643928233,-1.3999991728808059,12.37595477156519,2.475190954313038,1.2578777293681938,19,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.70138888888889,-0.24537037037037002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.710648148148148,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-0.24537037037037002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.590277777777779,4.111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.111111111111111,-0.24537037037037002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.349537037037037,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-0.24537037037037002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.590277777777779,4.111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.590277777777779,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3611111111111112,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.590277777777779,4.111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.166666666666668,3.2333333333333334,0.7552083333333333,9.590277777777779,0.47916666666666674,-0.24537037037037002,1.205597222222222,1.9120370370370368,2.5902777777777777,6.402777777777778,1.9120370370370368,2.5902777777777777,6.402777777777778,2.16666,0.43333,0.0,0.06667,0.62121,1.00667,0.41765,0.62121,1.00667,0.20357,0.0,-0.20357,0.0,0.43046,0.28383,0.0,0.61538,0.23077,0.0,4.25,0.85,2.75,0.55,1.5,0.3,-1.25,-0.25,0.0,0.0,2.13663,0.42733,4.43249,2.29587,0.45917,1.08652,0.2173,2.27005,1.18352,0.2367,0.14395,0.02879,0.14395,0.02879,0.0,4.02,2,2,2,2,0,0,0.6666666666666666,1.4353713907745331,2.0494520727893946,2.59490661824394,2.59490661824394,1.7841008694007945,0.4769831552269861,15.789085298519865,22.543972800683342,28.54397280068334,28.54397280068334,19.62510956340874,5.246814707496847,0.4149153817759055,0.5924245074677015,0.7500962309138222,0.7500962309138222,0.5157208079469333,0.13787905292224686,2.0240602278627646,1.4099795458479032,0.8645250003933578,0.8645250003933578,1.6753307492365033,2.9824484634103117,0.4149153817759055,0.5924245074677015,0.7500962309138222,0.7500962309138222,0.5157208079469333,0.13787905292224686,13.767777904829645,21.86309420173525,22.41281694646252,22.41281694646252,11.426772146691654,0.48071556368009816,19.218548400804202,13.55468757078629,13.760101741468969,13.760101741468969,10.949295992625823,2.8618989313619165,5.0,2.25,4.0,5,3,2,1.57,0.6056999999999999,0.33333333333333337,0.0,1.4142135623730951,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,1.8609999999999998,4.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.0,1.791759469228055,1.9459101490553132,1.3862943611198906,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.995732273553991,1.2666666666666666,0.3333333333333333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.25,3.0,0.75,0,2.0,3.0,0.5,1.5,0.44444444444444464,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.375,0.11111111111111116,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.48611111111111116,7.459294270913435,11.32198879388198,14.918588541826864,2.983717708365373,7.460499637077925,0.06081016321964117,0.012162032643928233,-1.3999991728808059,12.37595477156519,2.475190954313038,1.2578777293681938,26.3,75.38840727872231,3.321928094887362,2.833213344056216,3.367295829986474,4.007333185232471,4.574710978503383,5.220355825078324,5.796057750765372,6.444131256700441,7.02197642307216,7.6708948313621175,55.93596942475696,2.1972245773362196,0.0,3.2188758248682006,0.0,4.394449154672439,0.0,5.60947179518496,0.0,6.834108738813838,7.183870715062453,74.036779432,6.730616312,8.696801932082174,1.7393603864164349,4.899812122026584,4.899812122026584,0.0,18.0,2.0,0.24100000000000002,16.0,1.2134999999999998,2.0479876751850394,2.854986086028543,3.6670296873979953,4.475207402820824,0.0,0.0,0.0,0.0,0.0,105.72091208249996,125.15030941087441,126.66640194141056,48.333647277352696,4.547097134539737,0.0,0.0,0.0,0.0,0.0,260.04742030574045,278.0040099026874,421.9860409312489,388.6977386322438,139.10620318468966,0.0,0.0,0.0,0.0,0.0,9.852395917199999,17.019335856005736,24.79663101657633,28.405329544899633,30.066519828385204,0.0,0.0,0.0,0.0,0.0,1.6932413322179993,1.8325653052687991,2.8807705117682247,3.5166181868332353,1.9897349631699148,0.0,0.0,0.0,0.0,0.0,181.9284517548976,348.75017139642654,478.2909500812839,592.9022151206728,827.5448452511641,0.0,0.0,0.0,0.0,0.0,5.009833333333333,9.796397869965766,14.062098449988078,12.230440175696558,4.475207402820824,0.0,0.0,0.0,0.0,0.0,0.43465725000000005,0.523542466352612,0.7926545459168172,0.8456166041371788,0.45826123804885227,0.0,0.0,0.0,0.0,0.0,375.9353142247046,220.03894687164242,28.703781178450072,73.04828783757728,-42.75594156325961,-20.85930649756213,302.8870263871273,262.794888434902,49.5630876760122,0.8373029939132518,0.4900823679549865,0.0639305779690109,0.1626970060867484,-0.09522829200637181,-0.046458949506731836,168.78879152302366,98.79387896042108,12.88752706630804,32.79748339779782,-19.19671665263673,-9.365486567796605,0.4408860932314418,0.5452918959023121,29.58849275126922,14.582007160218607,308.823892010403,140.15971005187885,0.6878288886095304,0.3121711113904696,399.73988319081496,19.993496022227202,7.366465520091219,457.8620996815409,21.397712487122096,7.707465069801887,585.6092239070779,24.199364121957377,8.366348854610987,1.5322731087532617,1.2082481635769275,159.07597227877082,114.53323128359845,51.284437993326705,1.3889066997933466,3.1018370972393283,2.2332940705814477,2.8806008802803014,2.9845497102126135,5.036801845215333,0.6876253821406516,1.6866293781857773,1.447476457521411,4.010976384587408,3.1189923730086635,2.895428290688669,1.2033177455399195,0.45341264946242177,1.1370269243763975,1.7466674318491435,9.619045610884458E-10,1.0217147694420053E-40,2.093164032779514E-93,8.270899821076214E-168,6.303447825136015E-264,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.15805463677224557,1.5985679052142414,0.40538367623526994,0.984701984815621,0.2692600631854426,0.7012525158448071,0.02595865641864435,0.023760352988069177,0.012301921539274263,6.774772474146712E-12,7.196020661979576E-43,1.474232543102026E-95,5.825262371232264E-170,4.4395698435642226E-266,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.46280219713771686,1.3174767219535173,0.7740734113065033,0.8648642181984143,0.7115820154489758,0.7483799328509935,0.09176620054079562,0.12392173853893207,0.12819550727059975,7.059835255764197E-11,7.498808345892041E-42,1.5362639738388365E-94,6.070372520913606E-169,4.6263740696280534E-265,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5971556523653963,1.5980540214824919,4.784426319065901,3.9679019183818736,3.027252913870533,1.3453743221583787,0.4196577168582662,1.0239168285379803,1.5562492355763087,8.570396462401943E-10,9.103294650875899E-41,1.8649714688390004E-93,7.369222835082771E-168,5.616258527805607E-264,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.674503544035817,1.2106639491227,0.8512758915251967,0.739068407926116,0.9604614394643384,0.7483923988679191,0.1433084598219326,0.23041208880840314,0.27845777212506384,1.533490555749709E-10,1.6288413767748442E-41,3.3369706369520134E-94,1.3185660278833123E-168,1.0049102685997473E-264,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0368722666964802,1.5428910265709235,5.74606104093092,4.433926576856431,3.734999673405548,1.4613933066000666,0.5870058788170618,1.6068676703819462,2.547350294799455,1.402847401043899E-9,1.490074968870111E-40,3.052683022960851E-93,1.2062330076865448E-167,9.192986245019787E-264,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9812621583121843,1.7968199106602785,4.323314076616962,5.58918890887197,2.7591861111803984,1.8109174759985174,0.21007489797729986,0.37610907318383013,0.48955038747328944,2.695995482635437E-10,2.8636296306160015E-41,5.866653517478914E-94,2.3181414723431605E-168,1.7667102900900251E-264,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0865100196570445,0.577089143231803,0.30406148181818177,0.7779168371605912,0.14544821115224563,0.6914727087840687,0.42394220720503545,0.3636363636363635,3.9676606447070295,2.895150813076093,7.404403161207686,0.6668752557408869,1.4790512796254678,1.5023930928713856,0.6887388249548066,0.045511328587048976,0.6717178053677874,0.30793414464255403,0.1655949521929983,0.4685124428995585,0.008146733664395747,2.2366432464132413,1.1344777780942144,3.418214165465915,0.507576708051681,0.6422541287569526,2.3230713993287724,0.5229480956410502,0.1496460929577363,0.7754775461889603,0.17456824878868826,0.3900872697774739,0.33960980753740194,0.0880795842201978,2.995665587927559,1.6407414622209546,4.818203972324833,0.6632163192834405,0.8177766615350737,2.870994880955829,0.6299337141587098,0.2787768013891569,0.7595816551235866,0.16666211994760524,0.5973681292028936,0.5020737910131309,0.30567347376210147,3.779705396503696,2.7845141443290147,7.06839755277007,0.6393724826853798,1.4051153939781258,2.751211889943977,0.4563517172200428,0.2101043419083036,0.8049968372997598,0.13352722500262582,0.5487109288158799,0.2638277849202495,0.17362591427139096,3.417667949072323,1.9294433112243543,5.610901520464154,0.7074952559496398,0.9861646280075204,3.130810730000106,0.6021727191782089,0.31893371405763427,0.7726739229534921,0.1486142719406684,0.7115445951532047,0.4617683767275261,0.4000786273965014,4.051917163235949,3.0758630864785954,7.729062412123863,0.6590108844302381,1.573391599277232,2.92398441247843,0.6360909994428361,0.2838041540603248,0.760685750499508,0.16548151119828358,0.6198755945328668,0.5128816918856336,0.31679767583736346,3.843879565981591,2.8702843579599557,7.242016993638647,0.6410286257492622,1.4495549622558637 +UMLCN0460,L,"1,2,3-trimethylbenzene",CC1=C(C(=CC=C1)C)C,Aromatics,,C9H12,NREL (2014),IQT,PubChem,,10.1,0,2.7425999999999995,7.521854759999997,43.8018,23.84151599999998,6,6,21,9,12,0,9,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1310.5698569999986,1443.6621449999996,1921.9203479999983,1903.7217469999987,1032.1311879999985,248.40950400000006,18.289152,0.0,0.0,4184.657048915133,5188.491512190189,7083.005766428105,7704.005433737969,6156.908623723015,2997.7714275972494,559.5073997567447,0.0,0.0,148.486212,153.276228,257.71684800000014,281.4410360000001,340.5436960000001,329.67129600000004,120.93235199999997,0.0,0.0,30.43545485818798,38.46263172000001,54.17148079364103,60.51927786969804,55.46902980394306,33.382184725469976,8.003032287282004,0.0,0.0,3360.161029100989,2978.619777364801,5482.629356991742,5745.759461573901,7467.135253907045,8303.73541955967,3328.517736436482,0.0,0.0,44.333333333333336,54.22222222222222,76.77777777777777,89.33333333333331,94.00000000000001,66.0,18.0,0.0,0.0,62.40808842857136,68.7458164285714,53.386676333333284,48.813378128205095,21.5027330833333,5.175198000000001,1.016064,0.0,0.0,199.269383281673,247.07102439000897,196.75016017855847,197.53860086507612,128.26892966089613,62.45357140827603,31.08374443093026,0.0,0.0,7.070772,7.298868000000001,7.158801333333337,7.216436820512824,7.094660333333336,6.868152000000001,6.718463999999998,0.0,0.0,1.4493073741994276,1.831553891428572,1.5047633553789175,1.551776355633283,1.1556047875821471,0.6954621817806245,0.4446129048490002,0.0,0.0,160.00766805242804,141.83903701737148,152.29525991643726,147.32716568138207,155.5653177897301,172.99448790749315,184.917652024249,0.0,0.0,2.111111111111111,2.582010582010582,2.132716049382716,2.29059829059829,1.9583333333333337,1.375,1.0,0.0,0.0,0.040175925484355265,0.0015282222124335801,0.0031807587246874573,-0.016421178415294276,-0.036545608331600636,0.005754960315483516,0.02241488275211275,0.0,0.0,622.6251891428572,4.192202140984591E-13,229.7783436122452,-291.5467155510199,-783.2229561836739,133.41968338775445,400.2590501632648,0.0,0.0,1157.798126258859,-1.1368683772161603E-13,427.2826418336266,-542.14356705772,-1456.436531841501,248.09959848404134,744.2987954521238,0.0,0.0,0.12196799999999984,1.8578888427711604E-15,0.0450120000000012,-0.05711199999999768,-0.1534279999999993,0.026135999999996346,0.0784079999999975,0.0,0.0,5.175896322080571,9.603429163007604E-15,1.910152214101169,-2.4236339920853354,-6.510948944839446,1.1091206404458172,3.3273619213374968,0.0,0.0,28.11555096916627,4.218847493575595E-14,10.375977143382814,-13.165218310958755,-35.367578004863894,6.024760921964113,18.074282765892537,0.0,0.0,4.285714285714284,-1.0158730158730154,1.8117913832199544,-0.6258503401360542,-5.034013605442177,0.10884353741496167,2.612244897959182,0.0,0.0,0.001913139308778822,7.277248630636096E-5,8.835440901909603E-5,-4.2105585680241736E-4,-7.613668402416799E-4,1.1989500657257325E-4,0.001245271264006264,0.0,0.0,29.648818530612246,1.996286733802186E-14,6.3827317670068116,-7.475556809000509,-16.317144920493206,2.7795767372448843,22.236613897959156,0.0,0.0,55.133244107564714,-5.4136589391245725E-15,11.868962273156294,-13.901117104044102,-30.342427746697936,5.168741635084195,41.349933080673544,0.0,0.0,0.005807999999999992,8.847089727481716E-17,0.0012503333333333665,-0.0014644102564101969,-0.0031964166666666517,5.444999999999238E-4,0.004355999999999861,0.0,0.0,0.24647125343240814,4.573061506194097E-16,0.05305978372503248,-0.06214446133552142,-0.13564476968415512,0.023106680009287856,0.18485344007430538,0.0,0.0,1.338835760436489,2.0089749969407594E-15,0.2882215873161893,-0.3375697002809937,-0.7368245417679978,0.12551585254091902,1.0041268203273632,0.0,0.0,0.20408163265306115,-0.048374905517762634,0.05032753842277651,-0.016047444618873186,-0.10487528344671203,0.0022675736961450346,0.1451247165532879,0.0,0.0,0.038038257837487245,0.04618294580727298,-0.22008635485681488,-0.3979672764800744,0.06266925049441567,0.6509046457265751,0.0,0.0,6.733107195286823E-16,0.21527777777777807,-0.25213675213675163,-0.5503472222222225,0.09374999999999954,0.749999999999999,0.0,0.0,-9.81922799348166E-17,0.2152777777777778,-0.2521367521367523,-0.5503472222222221,0.09375000000000006,0.7500000000000001,0.0,0.0,1.523259250599471E-14,0.21527777777778379,-0.25213675213674225,-0.5503472222222204,0.09374999999998701,0.7499999999999771,0.0,0.0,1.8554137419714163E-15,0.21527777777777846,-0.25213675213675096,-0.550347222222222,0.09374999999999835,0.749999999999997,0.0,0.0,1.500538793709686E-15,0.2152777777777783,-0.2521367521367511,-0.5503472222222219,0.09374999999999863,0.7499999999999973,0.0,0.0,-0.237037037037037,0.246604938271605,-0.07863247863247864,-0.5138888888888892,0.011111111111110674,0.711111111111111,0.0,0.0,1.0101283761405495,0.9297535700243792,1.3309772652479719,1.371885590056272,0.7279269881575618,0.14539213784643717,0.0,0.0,1.1111111111111116,0.8101851851851856,1.2962962962962974,1.498842592592594,0.7291666666666672,0.0,0.0,0.0,1.1111111111111116,0.8101851851851853,1.296296296296296,1.4988425925925923,0.7291666666666666,0.0,0.0,0.0,1.1111111111111112,0.8101851851851852,1.296296296296296,1.4988425925925921,0.7291666666666665,0.0,0.0,0.0,1.1111111111111114,0.8101851851851853,1.2962962962962967,1.4988425925925923,0.7291666666666669,0.0,0.0,0.0,1.1111111111111105,0.8101851851851849,1.296296296296296,1.4988425925925914,0.7291666666666666,0.0,0.0,0.0,1.3950617283950622,0.6337448559670785,1.0569800569800576,1.5555555555555562,0.8750000000000004,0.0,0.0,0.0,28.93825363648547,14.469126818242732,19.383981033755408,28.938253636485463,3.2153615151650516,14.46912905026994,-5.329070518200751E-15,2.7672974969591947E-17,3.0747749966213275E-18,-34.3134678328252,5000011.018076498,555556.7797862776,13.882455606610122,28.93825363648547,14.469126818242732,19.383981033755408,28.938253636485463,3.2153615151650516,14.46912905026994,-5.329070518200751E-15,2.7672974969591947E-17,3.0747749966213275E-18,-34.3134678328252,5000011.018076498,555556.7797862776,13.882455606610122,28.93825363648547,14.469126818242732,19.383981033755408,28.938253636485463,3.2153615151650516,14.46912905026994,-5.329070518200751E-15,2.7672974969591947E-17,3.0747749966213275E-18,-34.3134678328252,5000011.018076498,555556.7797862776,13.882455606610122,28.93825363648547,14.469126818242732,19.383981033755408,28.938253636485463,3.2153615151650516,14.46912905026994,-5.329070518200751E-15,2.7672974969591947E-17,3.0747749966213275E-18,-34.3134678328252,5000011.018076498,555556.7797862776,13.882455606610122,28.93825363648547,14.469126818242732,19.383981033755408,28.938253636485463,3.2153615151650516,14.46912905026994,-5.329070518200751E-15,2.7672974969591947E-17,3.0747749966213275E-18,-34.3134678328252,5000011.018076498,555556.7797862776,13.882455606610122,28.93825363648547,14.469126818242732,19.383981033755408,28.938253636485463,3.2153615151650516,14.46912905026994,-5.329070518200751E-15,2.7672974969591947E-17,3.0747749966213275E-18,-34.3134678328252,5000011.018076498,555556.7797862776,13.882455606610122,33.20712427719562,16.193416821055898,22.142756138061536,33.18490205497339,3.687211339441488,16.19341724321731,-0.06666666666666998,8.887078903858608E-17,9.874532115398453E-18,-33.26341335084996,5000010.682186972,555556.7424652191,13.882455546150139,0,11.850000000000007,12.150097156670705,-0.20991490992719064,0.09020549175161124,6.2387500000000005,8.758384778481501,9.0,21.0,18.0,15.0,3.0,3.0,0.0,0.0,0.0,6.0,13.118483999999997,3.837367080780973,2.9789818692303625,2.8954220637953805,2.5055341105106503,2.024738678685837,1.747803012947929,0.7581895615391806,0.44136558875732457,2.009891347136255,1.4939169775120522,1.4120979677529923,1.3003213421654043,0.783323018124091,0.5042730833232029,0.18203980712149634,0.08392307051869069,3.847131707202672,3.0085188001647403,2.9246547159451994,2.566166219777829,2.0826000269106144,1.8113867110011002,0.8824944486996005,0.5456724759380657,1.9800758106140384,1.4123008547197757,1.3282378526575043,1.1998499879832232,0.6826626445077714,0.41113556720547373,0.028878976594412378,0.2709139018929368,3.892686794591577,3.1499267718921704,3.0646627772752972,2.8227206515040804,2.324156622701105,2.0661520289913606,1.3840716608744115,0.9637200066827342,1.9023650827520662,1.1801171511258728,1.0946557173711027,0.8715683699851017,0.3698493965448932,0.11222430389682785,0.5261932679788647,0.9439184268026217,3.854454913109466,3.030937363306683,2.94683190452836,2.6103753390756173,2.124567978492835,1.8569283075040826,0.9721551504092634,0.6211141506828707,1.9620545082033256,1.3607318946307856,1.2757868996910493,1.1329253987311052,0.6173331068336423,0.35053944495027606,0.07766961898489555,0.3992772455089812,3.916684571493634,3.2245002322946634,3.138866256489005,2.9403491976164258,2.434292051602587,2.1760255620832627,1.5969302701906045,1.2076448229620889,1.880701511516543,1.112463220489409,1.0275144511955459,0.7595093118353832,0.26498801837607777,0.005459045966572882,0.7349077544894621,1.133948600892413,3.8386515191499972,3.055466304978468,2.993656732287148,2.6888478212473923,2.1936886156039344,1.880015497244584,1.0715581344365679,0.6575508414023542,1.9712398092949002,1.3069968002576657,1.202340349677182,1.0400066010645659,0.5408854323153264,0.3254761852825554,0.18398029977703761,0.5294117647058812,0,0,0,3,3,3,0,0,0,0.0,0.0,0.0,0.06804138174397717,0.2041241452319315,0.0,0.0,0.0,0.024056261216234408,0.07216878364870322,0.663854610520907,0.0,0.2721655269759087,0.0,0.41367513459481287,0.0,0.14433756729740646,0.0,1.7339690875359333,1.9793920514651053,2.1903897720835888,0.9940169358562926,0.9682335127930839,0.9042377467571566,6.8533711511285205,4.215214055163271,3.744588184564866,3.11406878688018,1.848425765691067,1.07210290098477,0.526099420661621,0.13608276348795434,0.7614856834587245,0.46835711724036344,0.31204901538040547,0.22243348477715572,0.14218659736085132,0.0893419084153975,0.07515706009451728,0.06804138174397717,6.232050807568878,3.2440169358562927,2.5168088268476474,1.875462791622095,0.8977918909913549,0.420120990360615,0.1924500897298753,0.048112522432468816,0.6924500897298753,0.3604463262062547,0.20973406890397062,0.13396162797300679,0.06906091469164269,0.03501008253005125,0.027492869961410756,0.024056261216234408,12.250966822715249,20.32702112163146,19.352941176470594,19.560000000000002,13.79132694610778,158.3976143712575,0.58337937251025,0.9679533867443553,0.9215686274509807,0.9314285714285715,0.656729854576561,7.542743541488453,1.77066,37.362,36.67290345031684,48.67889423672942,73.34580690063368,8.149534100070408,36.67290345031684,0.01661620401330044,0.0018462448903667156,-3.6876392229241612,421.51631826836797,46.835146474263105,5.439472642300916,63,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.560185185185185,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2019444444444445,0.0,0.0,0.0,0.0,1.2019444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.439814814814815,0.0,0.0,0.0,0.0,6.377314814814815,0.0,0.0,0.0,0.0,4.182870370370371,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3842592592592595,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.39659722222222227,0.0,0.0,0.0,0.0,0.39659722222222227,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1412037037037037,0.0,0.0,0.0,0.0,2.0949074074074074,0.0,0.0,0.0,0.0,1.3842592592592595,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1412037037037037,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.40875,0.0,0.0,0.0,0.0,0.40875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1574074074074074,0.0,0.0,0.0,0.0,2.1412037037037037,0.0,0.0,0.0,0.0,1.414351851851852,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.0,1.8888888888888888,0.40875,2.1574074074074074,0.13194444444444445,1.3842592592592595,5.5253912037037045,0.28240740740740733,0.15740740740740738,1.634259259259259,0.28240740740740733,0.15740740740740738,1.634259259259259,4.5,0.5,0.0,0.0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,-0.0,0.0,0.71429,0.0,0.0,0.33333,0.33333,0.0,10.5,1.16667,4.5,0.5,6.0,0.66667,1.5,0.16667,0.0,0.0,5.86262,0.6514,10.4931,4.63048,0.5145,2.06158,0.22906,4.21519,2.15362,0.23929,0.19881,0.02209,0.28481,0.03165,0.2857142857142857,9.0,0,0,0,0,0,0,0.3333333333333333,0.9852281360342516,2.1280852788913944,2.3904555171926773,2.65282575549396,3.2368573034220742,3.33209539866017,20.689790856719284,44.689790856719284,50.199565861046224,55.70934086537316,67.97400337186356,69.97400337186357,0.22430713475415348,0.4845017046935283,0.5442356020982602,0.6039694995029921,0.7369361072666523,0.7586189880949336,3.407089286744509,2.2642321438873663,2.0018619055860833,1.7394916672848009,1.1554601193566865,1.0602220241185907,0.2148824850539754,0.46414453303743997,0.5213686081002165,0.5785926831629928,0.7059724704210683,0.7267443077530238,6.751545309820625,15.369996114525957,18.518438974141354,20.224872050854966,21.860347470810815,20.90945700071558,33.825801216467084,27.574832276195362,23.400771027838424,20.96590196629688,18.957556320841515,19.860416098073216,7.111111111111111,2.7222222222222223,1.469387755102041,0,6,0,2.45,1.1391000000000002,0.9085602964160698,2.9826782004077756,5.181129587616003,0.0,2.381101577952299,4.585756412345815,0.0,2.381101577952299,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.125,0.1,0.5050000000000001,0.68,4.372,12.0,14.0,13.0,12.0,7.0,2.0,0.0,0.0,0.0,78.0,2.5649493574615367,3.1570004211501135,3.6309854756950335,3.9866665484239117,4.342993403944672,3.944006051281197,2.7842393394597567,0.0,0.0,0.0,5.6199478645769005,3.5240384615384617,0.25,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.3333333333333333,0,3.0,4.0,0.3333333333333333,2.0,1.5555555555555562,0.6875,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.2222222222222222,0.12962962962962968,0.0625,0.08333333333333334,0.0,0.0,0.0,0.0,0.0,0.0,0.49768518518518523,18.649040070065798,25.47746719481199,37.2980801401316,4.144231126681289,18.649040102911247,3.097094826800533E-16,3.4412164742228143E-17,-32.139807271614636,5000010.413682709,555556.7126314122,13.882455497819473,0.0,133.0544855304002,4.169925001442312,3.7612001156935624,4.553876891600541,5.3706380281276624,6.180016653652572,7.00033446027523,7.81237820598861,8.633552992532433,9.446123703636829,10.267470726189352,81.02559177769677,2.9444389791664403,0.0,4.204692619390966,0.0,5.68697535633982,0.0,7.2633296174768365,0.0,8.876125585396185,9.101863895640099,120.093900384,5.7187571611428565,17.382533215262605,1.9313925794736226,0.0,0.0,0.0,82.0,11.0,3.2579999999999996,42.0,1.233300178141001,2.1436293994025246,3.0630021938502003,3.8083734158416145,4.417137530701769,5.753812093349527,0.0,0.0,0.0,0.0,94.09564805436919,126.50871690364797,157.9266192895921,89.31497623315978,25.320039899081934,5.846241330817094,0.0,0.0,0.0,0.0,326.46854650432726,454.49847620791087,626.4631207910534,511.22301011455573,294.423912899758,178.85002461327255,0.0,0.0,0.0,0.0,9.031490446075068,15.413051215988354,22.141896575886733,27.07675910007435,30.4261250439658,38.65677941193346,0.0,0.0,0.0,0.0,2.3768966863031515,3.420211810019357,4.875732058865754,4.544322797465882,3.2203506107996382,2.558219108779438,0.0,0.0,0.0,0.0,173.07509778245284,321.7322639437494,448.6912615867099,588.2150699844981,757.0868878452869,1063.9814224909235,0.0,0.0,0.0,0.0,3.280371767168976,4.776662573348683,7.164991881589147,7.631929235864194,6.2954082360114825,5.753812093349527,0.0,0.0,0.0,0.0,0.4891742073471703,0.7093169919995798,1.0159970975073398,0.9683553468622498,0.7107649321944779,0.5891903583589916,0.0,0.0,0.0,0.0,254.49204328689947,110.8849961781209,9.440531820484207,77.61527180173212,-33.81783181094022,-3.902316437095464,176.87677148516735,144.70282798906112,13.342848257579671,0.7662946033542849,0.33388302858829927,0.028426148391114937,0.23370539664571507,-0.1018280244803251,-0.01175016706890069,84.518669207432,36.82571836432891,3.135269675909801,25.776599527947635,-11.231149324850271,-1.2959878345500095,0.14236141921263348,0.14056475604326102,3.0516970756576796,2.006939697205433,332.1073150886316,0.0,1.0,0.0,669.1530565126451,25.86799289687248,8.74665148177465,786.0344263749131,28.03630550509309,9.228841539673093,1158.1245608120616,34.031229199252586,10.501510170730837,1.2352441117317075,1.2241603137134531,482.4556763457852,279.7379978650094,212.83322446168063,1.7246697982681618,2.266825010832125,1.3143530507163583,4.0031402696955904,3.7853895623559457,6.3675686182097895,0.6821435451538442,3.59190127778685,4.8504305542341015,5.427785225435743,10.560667253441844,1.9779322782226931,2.60976168155611,6.982469158051659,7.8767178912793,1.7007256238138155,4.391223125492479,0.7676293024927228,0.3459051611898525,8.484954165012444E-18,4.0144265589394925E-56,3.6633533501075656E-116,6.4478567568214284E-198,2.188936821669701E-301,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3015529923041314,3.8778770270713663,0.27649936141378295,5.3212349820690905,0.8278065502684211,0.3964211783134341,0.6631079008944781,0.4896025616044375,0.9970414275241926,0.10906873662867542,0.005406636696313617,0.0024362383332942935,5.976022595888001E-20,2.827393449534342E-58,2.5801297179939103E-118,4.5412782349140077E-200,1.5416861014063247E-303,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.9731832251069679,3.9428652947055047,1.0098918434605224,6.0738216894774695,0.9266106202160921,0.8192572219020596,1.9505938567318652,1.6927837178978014,1.1353187357021297,0.5230502566319595,0.056340060746372704,0.025387481782554688,6.227476298679301E-19,2.9463619675955825E-57,2.688694095196544E-117,4.732362055172722E-199,1.6065557822885974E-302,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.3904685134863786,4.743652806595969,4.999895798520476,10.127806675691803,1.8594238680699353,2.4640196171405293,6.594742594823375,7.316695968581242,1.6557505190621633,3.9663054538461022,0.6839439991625388,0.30819527110190087,7.559941401793481E-18,3.576781790116069E-56,3.2639818816082454E-116,5.744924286064975E-198,1.9503032994906855E-301,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4342363244627945,4.027125714616773,1.6077917168174234,6.6845409977731265,1.0348061850251915,1.1181179341093506,2.8351342392988905,2.609197612026212,1.2318331603597519,0.9438480587680285,0.12237774489626854,0.05514500287528484,1.3526910677388233E-18,6.399891906031279E-57,5.840202855891715E-117,1.0279322753417575E-198,3.489653837762211E-302,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.337716138128546,5.299416508710607,7.139838128864132,12.290643411459849,2.4713278565719685,3.161009041443437,8.41902233704592,10.072612199092648,1.8694010297551376,6.149311992638045,1.1195146703433212,0.5044701688842883,1.2374508220332515E-17,5.854663854091081E-56,5.342656573422072E-116,9.403593100104425E-198,3.1923586346798507E-301,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.013495495037567,3.9218824123610734,2.1653156773593527,7.188950070132688,1.2650500460109098,1.490571803618504,3.8673920140401936,3.757069258482647,1.4669376539995254,1.5156320240403263,0.21514928328768765,0.09694919742691369,2.3781359424429344E-18,1.1251506964501692E-56,1.0267530150820514E-116,1.807184765752719E-198,6.135082441357985E-302,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.6438985166170976,2.627863448326905,0.23892783425576747,0.5596793318374605,0.4036228924084044,0.5298694906149677,0.46472340531275924,0.28569781033345254,6.5106897991997705,11.074166224482466,19.872749573868745,0.44495333636879747,1.2802907062611795,2.2879250248367446,1.7951277998330641,0.04208708620476355,0.5546296790577658,0.43516773700227745,0.21023293255002418,0.2181079797089493,0.008864785574807231,4.125139910874572,4.2789616122286755,8.576958144679125,0.4846961240900649,0.4372056978337807,2.762095887567444,2.0867745431008253,0.11096061477762786,0.5568931405644538,0.42073500568469885,0.3052499945534177,0.2938124221060641,0.06161826460204624,4.959831045445897,6.301905027743234,11.901298785432449,0.466442219373729,0.660680681261528,3.60300745726314,2.6027900808483944,0.23299534843740322,0.5595780949547329,0.40423572037637584,0.5180808846741485,0.45593310822389504,0.27168637336532203,6.438792886548938,10.823794030711571,19.447587488041588,0.44572072299666315,1.2457003662633657,2.9984306778578294,2.2318982013159205,0.14526693963307014,0.5577857374186603,0.41519085075323203,0.35935522182829316,0.3357804135957963,0.10561019454059402,5.37559581880682,7.451985906233403,13.799735981645727,0.4594648822578386,0.8007458299646835,3.774908158218363,2.708187773745572,0.2579340746152877,0.5599898167689604,0.4017468800913792,0.5685364015908543,0.49345243507029385,0.33295922652899923,6.741030006579223,11.89537147095264,21.273302823011544,0.4426050452905094,1.3949480631901472,3.604454833017206,2.6064571694755045,0.23269523770266076,0.5593846270661149,0.4045027998007644,0.5185112653080298,0.45723228302323954,0.27098691543211667,6.443607240195371,10.840106786338678,19.46985254227383,0.44583114030031906,1.246730463763386 +UMLCN0461,L,3-carene,CC1=CCC2C(C1)C2(C)C,Cycloalkenes,Cyclic,C10H16,NREL (2014),IQT,PubChem,,27,0,2.143399999999999,4.594163559999995,44.9911,28.268687999999976,0,0,26,10,16,0,10,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1458.8982339999982,1780.6187389999993,2477.8157190000006,2187.265091,1351.1413499999958,581.3875220000006,154.42963200000003,18.289152,0.0,4732.508928388178,6494.471781170922,9563.090124243154,10498.366332414562,7936.45476014957,4437.685035654904,1656.5930963245958,559.5073997567447,0.0,182.90058400000007,196.82778800000006,364.951644,478.7388920000004,557.1786480000001,419.85293599999983,145.87776000000002,120.93235199999997,0.0,35.002806477583995,48.49460896000001,74.56284970333894,88.3538615239429,74.38521694941296,45.85752089426208,17.364047863640998,8.003032287282004,0.0,4226.625993287985,3844.698680396401,7764.0732064392405,10192.166319091843,13268.253526814517,10496.032991072363,3501.7294407730415,3328.517736436482,0.0,44.395833333333336,54.94444444444445,87.30555555555557,116.05555555555557,117.58333333333334,81.75,33.0,18.0,0.0,56.11147053846147,65.94884218518516,48.584621941176486,32.64574762686568,16.889266874999947,9.530942983606566,7.353792000000001,1.016064,0.0,182.01957416877607,240.53599189521935,187.51157106359125,156.69203481215763,99.20568450186963,72.74893501073613,78.88538553926647,31.08374443093026,0.0,7.034637846153848,7.289918074074076,7.1559145882352935,7.145356597014931,6.964733100000001,6.8828350163934395,6.946560000000001,6.718463999999998,0.0,1.3462617875993845,1.7960966281481485,1.462016660849783,1.3187143511036252,0.929815211867662,0.7517626376108538,0.8268594220781428,0.4446129048490002,0.0,162.56253820338404,142.39624742208892,152.23672953802432,152.12188535957975,165.85316908518146,172.06611460774366,166.74902098919245,184.917652024249,0.0,1.7075320512820513,2.0349794238683128,1.7118736383442268,1.7321724709784414,1.4697916666666668,1.3401639344262295,1.5714285714285714,1.0,0.0,0.040776809940438294,-2.7089592928594914E-4,1.0582428645163847E-4,-0.03753684211452857,0.010401005698160035,6.001245188659481E-4,-0.0053009221503576495,0.011613300720475395,0.0,745.0215938461533,45.847482698224695,168.34622553254417,-774.3926374497045,-122.49874283431961,170.4953262840241,-182.67356387573952,322.3651127218936,0.0,1385.3994673182933,85.25535183497247,313.046995019038,-1440.0161770875725,-227.79164318406697,317.0433396363005,-339.68929246746643,599.4516925896456,0.0,0.14594461538461523,0.008981207100594066,0.03297786982248733,-0.15169820118342897,-0.023996662721895077,0.03339886390532241,-0.03578449704142064,0.06314911242603356,0.0,6.1933802144553844,0.38113109012034796,1.3994657215356066,-6.437542319063708,-1.0183346314152741,1.4173312413849601,-1.5185691871981994,2.679827977408567,0.0,33.64253962122456,2.0703101305367566,7.601920010565041,-34.96883204859995,-5.531609880028197,7.698965797934267,-8.248891926357912,14.556868105337674,0.0,3.5622329059829045,-1.2369021203155817,1.3525538297172905,-3.0431151380670634,0.521120973044049,1.1632869000657455,-1.692091962524656,1.154031065088757,0.0,0.0015683388438630112,-1.0033182566146264E-5,2.0749860088556563E-6,-5.6025137484371E-4,1.3001257122700042E-4,9.838106866654887E-6,-2.524248643027452E-4,6.451833733597442E-4,0.0,28.654676686390513,1.698054914749063,3.3009063829910623,-11.558099066413499,-1.531234285428995,2.7950053489184277,-8.698741136939978,17.90917292899409,0.0,53.284594896857435,3.157605623517499,6.138176372922313,-21.492778762501082,-2.847395539800837,5.197431797316402,-16.175680593688877,33.30287181053587,0.0,0.005613254437869817,3.3263730002200246E-4,6.466248984801437E-4,-0.002264152256469089,-2.999582840236885E-4,5.475223591036461E-4,-0.0017040236686390782,0.003508284023668531,0.0,0.2382069313252071,0.014115966300753627,0.027440504343835423,-0.09608272118005536,-0.012729182892690927,0.023234938383360004,-0.07231281843800949,0.1488793320782537,0.0,1.2939438315855598,0.07667815298284283,0.14905725510911846,-0.5219228663970141,-0.06914512350035247,0.1262125540644962,-0.39280437744561486,0.8087148947409819,0.0,0.1370089579224194,-0.04581118964131784,0.02652066332779001,-0.04541962892637408,0.0065140121630506125,0.019070277050258124,-0.08057580773926934,0.06411283694937539,0.0,-0.006397330911879542,0.001323047004144022,-0.3572259764119226,0.08289826636364084,0.006272947268475747,-0.1609504637919901,0.41138008912065094,0.0,0.0592592592592591,0.11519607843137249,-0.40335820895522434,-0.053437500000000075,0.09754098360655769,-0.3035714285714286,0.6250000000000007,0.0,0.059259259259259664,0.11519607843137275,-0.40335820895522395,-0.05343750000000033,0.09754098360655701,-0.3035714285714288,0.6249999999999994,0.0,0.05925925925927483,0.11519607843138009,-0.4033582089552164,-0.05343750000000359,0.09754098360654861,-0.3035714285714333,0.6249999999999815,0.0,0.059259259259261836,0.11519607843137378,-0.40335820895522306,-0.05343750000000073,0.09754098360655586,-0.3035714285714294,0.624999999999997,0.0,0.05925925925925528,0.1151960784313707,-0.4033582089552261,-0.05343749999999932,0.09754098360655974,-0.3035714285714274,0.6250000000000054,0.0,-0.33436638257812445,0.19356882739599549,-0.3315084620386114,0.047544425283047094,0.1391900014381291,-0.5881061279576695,0.4679463147634401,0.0,1.2107239561722511,1.057168221649985,1.447323211100847,0.7582415557581271,0.9250497435957113,1.1548612789715056,0.004709614280740252,0.0,1.203703703703705,0.9957107843137268,1.4855410447761217,0.9394531250000013,0.6992827868852468,1.160714285714287,0.0,0.0,1.2037037037037033,0.995710784313725,1.4855410447761184,0.9394531249999994,0.6992827868852456,1.1607142857142856,0.0,0.0,1.2037037037037033,0.9957107843137251,1.4855410447761195,0.9394531249999994,0.6992827868852456,1.1607142857142854,0.0,0.0,1.203703703703704,0.9957107843137258,1.485541044776118,0.9394531249999998,0.699282786885246,1.160714285714286,0.0,0.0,1.2037037037037046,0.9957107843137265,1.4855410447761195,0.9394531250000002,0.6992827868852466,1.1607142857142863,0.0,0.0,1.6787050227854012,0.662244353391053,1.4119065018313997,0.8303497788108273,0.7010879385218248,2.005162865926157,0.0,0.0,42.7286020731497,21.36430103657485,31.809691367449545,42.7286020731497,4.27286020731497,21.364301038822973,0.0,0.016973835181157804,0.0016973835181157803,-4.076082227558512,52.76964938113076,5.2769649381130765,3.9659362031114545,42.7286020731497,21.36430103657485,31.809691367449545,42.7286020731497,4.27286020731497,21.364301038822973,0.0,0.016973835181157804,0.0016973835181157803,-4.076082227558512,52.76964938113076,5.2769649381130765,3.9659362031114545,42.7286020731497,21.36430103657485,31.809691367449545,42.7286020731497,4.27286020731497,21.364301038822973,0.0,0.016973835181157804,0.0016973835181157803,-4.076082227558512,52.76964938113076,5.2769649381130765,3.9659362031114545,42.7286020731497,21.36430103657485,31.809691367449545,42.7286020731497,4.27286020731497,21.364301038822973,0.0,0.016973835181157804,0.0016973835181157803,-4.076082227558512,52.76964938113076,5.2769649381130765,3.9659362031114545,42.7286020731497,21.36430103657485,31.809691367449545,42.7286020731497,4.27286020731497,21.364301038822973,0.0,0.016973835181157804,0.0016973835181157803,-4.076082227558512,52.76964938113076,5.2769649381130765,3.9659362031114545,42.7286020731497,21.36430103657485,31.809691367449545,42.7286020731497,4.27286020731497,21.364301038822973,0.0,0.016973835181157804,0.0016973835181157803,-4.076082227558512,52.76964938113076,5.2769649381130765,3.9659362031114545,52.93833379796086,26.300694676758205,40.43927057732603,52.668778242405295,5.266877824240529,26.300694676772693,-0.33694444444444827,0.1631649559390227,0.016316495593902268,-1.8129935902758745,59.47149600888152,5.947149600888152,4.085497139092056,0,11.889999999999997,12.110155106233554,-0.15478926890653158,0.06755948053456717,6.287114850429807,9.26543295602701,11.0,27.0,26.0,26.0,10.0,1.0,1.0,0.0,0.0,1.0,17.491311999999997,3.9222963765393537,3.330332814476387,2.6889955218506327,2.541415998188148,2.3335527931030438,2.144552774627877,1.4001516806348795,0.9104005621389326,1.89408772993632,1.7205239853198229,1.3878429646535326,1.2496297225843551,1.2256640322304275,0.8824906787391119,0.515232099199387,0.455500206240678,3.935957104454193,3.3506373655592707,2.7328717061543437,2.590532161067815,2.405454587841287,2.209083021848496,1.489536765857807,1.0268515172854458,1.849622581496997,1.6567016886675685,1.2982829023152813,1.13454068594835,1.1318983549762769,0.785240523257601,0.37269484200733216,0.31752509270600693,3.9974406937441356,3.4467049126177987,2.9313404385946185,2.8026069374182825,2.7042369872335215,2.4776548259234668,1.8650935872077292,1.5048176678582799,1.7264601308239265,1.476917152044321,1.0349950133998742,0.8496658969278565,0.7603185604308985,0.4759510850871434,0.08540788667396608,0.1424522611639347,3.9460885557357193,3.3659555107996115,2.765569455879583,2.6265763344406725,2.4575399160416898,2.255879767767756,1.5546950129812476,1.1112899669413616,1.8220053936534115,1.616680611363593,1.2409355554737274,1.071444422710454,1.0582626705327098,0.721643087722483,0.2779769874515687,0.22571845487919687,4.028407064205174,3.4975475848206514,3.0294779205843074,2.902541425265939,2.8389820851496492,2.598590305063124,2.0341685877755653,1.7122843602583455,1.6902579080697737,1.4239120170384456,0.9558748561919098,0.7609548976962128,0.6313372621875625,0.36921560535107567,0.2355352513462462,0.30942958082027017,3.8841302751924207,3.441592381496064,2.8508366608778077,2.6750597364280453,2.66262010617626,2.3719650378632755,1.655499709841651,1.2031603941042106,1.7947559364252643,1.583820649249174,1.1455185885572048,1.0011776922233833,0.8535748800456064,0.6167425365653523,0.17330403550741974,0.10778122020722251,0,0,0,1,1,3,2,2,1,0.16666666666666666,0.5690355937288492,0.554737854124365,0.8087619927055272,0.9931328134258285,0.16666666666666666,0.5690355937288492,0.554737854124365,0.6854592187268391,0.7597066712407364,1.435060997513288,0.16666666666666666,0.23570226039551587,0.16666666666666666,1.3505100081504067,0.16666666666666666,0.23570226039551587,0.16666666666666666,2.3732228590218347,2.6326953188608355,3.1080506507351298,2.2402129763839462,2.299344449526829,2.4399659935890554,7.3533711511285205,4.621027033568038,4.952577594741828,3.7480074362574696,2.6113604314764465,2.109238808357476,1.31750832891327,0.43643195358482334,0.735337115112852,0.42009336668800346,0.2751431997078793,0.17036397437533954,0.10880668464485194,0.07273237270198193,0.050673397265895,0.036369329465401945,7.146264369941973,4.277656999102636,4.524656570913543,3.383369649708312,2.1864214249996556,1.6197821302023425,0.9608911347718276,0.30860399390632126,0.7146264369941973,0.3888779090093305,0.2513698094951968,0.15378952953219602,0.09110089270831899,0.05585455621387388,0.036957351337377986,0.02571699949219344,14.334622430286998,25.102694828841948,23.80392156862746,24.079999999999995,16.388435928143707,197.71142994011979,0.5513316319341153,0.9654882626477672,0.91553544494721,0.926153846153846,0.630324458774758,7.604285766927684,2.9248900000000013,43.48200000000001,49.19220309865336,65.3120614241748,98.38440619730672,9.838440619730672,49.19220309865336,0.0487013246953123,0.00487013246953123,-3.022049048127761,51.72554683020169,5.172554683020168,3.945951795450093,84,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,6.0,3.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,2.0,0.0,1.0,0.0,2.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.043935185185186,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2529166666666667,0.0,0.0,1.5073611111111112,0.8708333333333333,0.0,0.2529166666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.091435185185185,0.0,2.7233796296296298,0.0,2.4265046296296298,0.0,2.049722222222222,0.0,0.0,1.6174305555555557,0.0,0.0,0.6748611111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6174305555555557,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2529166666666667,0.0,0.0,0.22,0.2902777777777778,0.0,0.2529166666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.268472222222222,0.0,1.3506944444444444,0.0,2.4265046296296298,0.0,1.0242592592592592,0.0,0.0,1.6174305555555557,0.0,0.0,0.6748611111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4265046296296298,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2529166666666667,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.2529166666666667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4114814814814816,0.0,1.3726851851851851,0.0,2.4265046296296298,0.0,1.0254629629629628,0.0,0.0,1.6174305555555557,0.0,0.0,0.6748611111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.583333333333336,1.6583333333333337,0.2902777777777778,2.4265046296296298,0.01819444444444443,0.6748611111111111,5.864005486111112,0.5751388888888889,0.42650462962962965,3.0358796296296298,0.5751388888888889,0.42650462962962965,3.0358796296296298,5.0,0.5,0.0,0.0,0.45385,0.7,0.44286,0.44286,0.7,0.01099,0.01099,-0.0,0.0,0.71429,0.0,0.0,0.3,0.3,0.1,6.5,0.65,5.5,0.55,1.0,0.1,-4.5,-0.45,0.0,0.0,10.71688,1.07169,11.87998,1.16311,0.11631,4.06777,0.40678,4.62101,0.55324,0.05532,0.29299,0.0293,0.46499,0.0465,0.2692307692307692,31.0,0,0,0,0,0,0,0.8,0.961236604722876,2.2156951437515624,3.382568083276076,3.6133373140453076,3.6133373140453067,3.613337314045307,24.992151722794777,57.60807373754062,87.94677016517797,93.946770165178,93.94677016517798,93.94677016517798,0.2044992941858259,0.4713803977104965,0.7196280105925489,0.7687232537202483,0.7687232537202481,0.7687232537202482,3.739203113418217,2.4847445743895302,1.3178716348650168,1.087102404095785,1.087102404095786,1.0871024040957855,0.19995124560336303,0.46089693390127706,0.7036235389560747,0.751626907650654,0.7516269076506539,0.7516269076506539,6.796774065078518,19.5687064243627,21.590262102594316,22.668389030594312,21.822837109978927,21.822837109978927,38.708443915244516,21.63427712421212,19.75933250725815,17.989763493303464,19.028394154126964,19.02839415412696,6.694214876033058,1.7777777777777777,0.8468809073724007,0,2,0,2.56,1.2574000000000003,0.814325284978472,3.0795586664096977,3.6876633216662382,1.8898815748423097,1.6509636244473134,5.853800636117529,1.3103706971044482,1.6509636244473134,2.080083823051904,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.16199999999999998,0.16299999999999998,0.3460000000000001,0.5489999999999999,4.5249999999999995,18.0,22.0,24.0,29.0,26.0,12.0,0.0,0.0,0.0,152.0,2.5649493574615367,3.091042453358316,3.295836866004329,3.4657359027997265,3.8501476017100584,3.871201010907891,3.1780538303479458,0.0,0.0,0.0,5.37989735354046,1.4210526315789473,0.4,2.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.2727272727272727,0,3.0,5.0,0.6666666666666666,3.5,3.1111111111111107,0.7847222222222223,0.6461111111111112,0.0,0.0,0.0,0.0,0.0,0.0,0.3181818181818182,0.20740740740740737,0.07133838383838385,0.1076851851851852,0.0,0.0,0.0,0.0,0.0,0.0,0.7046127946127947,22.21606521339668,32.43933994618252,44.43213042679335,4.443213042679336,22.21606521439852,0.06553668248257594,0.006553668248257594,-2.725145255201708,55.14522960663143,5.514522960663143,4.009970243438469,0.0,154.16692885706686,4.321928094887363,4.07753744390572,4.976733742420574,5.937536205082426,6.874198495453294,7.836369760545124,8.78523362361273,9.746892220313054,10.70101727068921,11.662060731469461,91.5975794934916,3.1354942159291497,1.9459101490553132,4.553876891600541,4.2626798770413155,6.19644412779452,6.401917196727186,7.9483852851118995,8.444837529224097,9.763823105408154,10.172254353874754,136.125200512,5.235584635076923,19.769898870799707,1.9769898870799707,0.0,0.0,0.0,108.0,11.0,4.181,58.0,1.2600986173334252,2.1916550642115853,3.052380858604713,3.693088464874786,4.358018987410484,5.71801887619425,6.234402157434946,0.0,0.0,0.0,94.68085054114415,119.2604321338844,104.59301122001833,69.26929756350002,48.54539396605381,43.17104989508481,6.33455159369198,0.0,0.0,0.0,330.1525453264326,445.3639036441854,492.0886539420288,387.2657709147982,343.2028313695541,459.530149714966,193.7885633413481,0.0,0.0,0.0,9.223066242469459,15.752810122461591,21.840342986099376,25.77354051685066,30.079583551854697,39.76093961571121,41.885606456249015,0.0,0.0,0.0,2.4100434835389675,3.407822637041578,4.108497619670664,3.565034177353398,3.4545844163318944,4.795664498348326,2.7718956532140235,0.0,0.0,0.0,177.12659642880683,328.7761422973187,462.1960989080013,608.6880297558739,743.4574300942436,950.2577702603273,1152.8510087277825,0.0,0.0,0.0,2.6125394412493184,3.893974776693277,5.349274335612145,5.54018935127552,6.0366029661411496,9.086614667138651,6.234402157434946,0.0,0.0,0.0,0.49624213891671853,0.7087220583831944,0.8666817961419251,0.7666155436257723,0.7542804528530643,1.0490439137562415,0.6384027809213385,0.0,0.0,0.0,381.7823090268872,178.51781452960958,11.29293094101289,157.80933302313278,-73.79015888785193,-8.900435126276887,223.97297600375444,252.3079734174615,20.19336606728978,0.7075393302542964,0.3308387317701652,0.020928661715568304,0.2924606697457035,-0.1367518566586908,-0.016494760913016177,206.00654303346627,96.32672067721296,6.093571150018623,85.15259713677067,-39.8165530014279,-4.802600404747423,0.12224998786657003,0.18120191317525072,3.377820745457983,4.627227318710635,539.59164205002,0.0,1.0,0.0,732.1863798522863,27.058942696496594,9.013093615854011,887.3912694544938,29.789113270698305,9.609594247480134,1295.3412818825193,35.99084997443821,10.90087606762836,1.5269143105249452,1.2784434328970278,566.7431624005706,519.6707886368542,182.3756241953305,1.0905811425098408,3.107559822762111,2.8494531049844096,4.173472246689249,4.4887319458191675,7.599982616175055,0.6931246302764248,4.5547149658041866,9.663504203869003,4.4791733498410045,23.86246548456308,10.706383229402782,20.037323897231403,12.402362055836049,13.95108418145164,8.742237502029187,6.506867578213428,1.8872524344877781,4.028843003918972,1.9981391560136323,0.3682719780067042,1.1237877675563969E-7,6.618933333363846E-36,7.519130424860417E-86,1.6474913160038237E-157,6.96232921237754E-251,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3815101506884632,9.128997658291116,0.31299912702268007,12.917694717145828,0.8669781176367799,2.9923375936265733,0.3801728172921381,0.8003023438174843,0.89857726934637,0.33553996070406683,0.14273754863069818,0.17001984449335605,0.07304452655768892,0.002593769652964697,7.914929133727041E-10,4.66176886658534E-38,5.295785038613569E-88,1.1603416046212277E-159,4.9036253919608837E-253,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2319099929756852,9.164715003184309,1.0518504373374231,14.567987079737721,2.248965956831932,5.720573520920913,1.5287271648203524,2.7856980626897254,1.9732634805628966,1.2218922944399064,0.38392439057101063,0.6595736536786589,0.29816121823308417,0.027029079590804913,8.247966401587417E-9,4.857922583250782E-37,5.518616317408003E-87,1.2091654148232793E-158,5.109955729928221E-252,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.298724851698791,9.604820264461384,4.184659156724579,22.98591643776556,9.882406581878467,18.728159885278313,11.204554078810936,12.898734122660716,8.075841243617072,5.996985451321141,1.7398046040961763,3.687145663568291,1.8209113672243658,0.32812370220377957,1.001274668731957E-7,5.897350435779859E-36,6.699409837566742E-86,1.4678851018795417E-157,6.203309981638771E-251,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8161104589678956,9.21102391156126,1.5921712923375821,15.874194057203038,3.383661626868242,7.816412122168859,2.704783138897796,4.356145442741623,2.8672926350097283,1.941199896988771,0.583609518297679,1.0841532925712154,0.5025308009906915,0.05871077267598307,1.7915685172183384E-8,1.055205699863306E-36,1.1987172075498174E-86,2.6264688576928603E-158,1.1099506671555912E-251,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.503109641383295,9.91026212769608,5.6144352443975105,27.3424177712843,14.008825428337596,25.18623111688274,17.361665700564444,18.1282177269243,11.421033774796134,8.544696098463136,2.4793402683477863,5.413739716782478,2.7217495982828313,0.5370900691430415,1.638938843639041E-7,9.653092208945796E-36,1.0965945064954997E-85,2.4027112505664137E-157,1.0153902825602445E-250,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.9705827484966942,8.012008829033215,2.3755700438801863,17.478380653992506,5.293559692777715,11.603108535311199,5.103588653987072,7.211111952481934,4.903162889832145,3.3569778900873,1.1050543094409853,2.1348748169496257,1.0055011247082153,0.13391370125240692,4.0863977810691916E-8,2.4068240701103334E-36,2.7341602009542673E-86,5.990726231775724E-158,2.531692145608356E-251,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.48829318991446,1.4161541055470588,1.0297802216509568,0.6472665021212712,0.20422665712254684,0.46170261531179035,0.4166006739282178,0.41860411895438204,6.934227517112475,12.436397872443022,25.91602672576247,0.4708997531819069,1.2969074081943903,3.3236533892622866,0.8454214651936234,0.5024284829166278,0.7114740479093092,0.18097417557858927,0.25367362656093223,0.14878243327373272,0.09991938014784021,4.671503337372537,4.904549872436019,10.987820933688349,0.5672110718639638,0.5023754399825051,3.7544965086079642,1.0568405468807058,0.6979020799050579,0.6814909312045396,0.19183058148467483,0.3233764768373867,0.23226032841242686,0.19265741242480883,5.509239135393727,7.325746281568762,15.604193971518466,0.5222363968068094,0.7482942176746223,4.456041491354456,1.4003768639987868,1.0152171938929773,0.6484688338634692,0.20379091032445695,0.4551031074260999,0.407380917018655,0.40689053540694964,6.8716355492462196,12.185674018496472,25.39240435813348,0.47270325079520376,1.2693745598517046,3.9593541287697414,1.1572341559267758,0.7906749493931765,0.6702518529936267,0.19590021809906782,0.3595053929518054,0.2783755696290302,0.24716274839995817,5.907263234089694,8.627458016290186,18.157514669137324,0.50537777949044,0.8850437109807938,4.590533027180754,1.4661614020184444,1.0759330500644886,0.643596352189508,0.20555698531585145,0.4829395958753937,0.4465083496541795,0.4568131027126696,7.132627479263688,13.247060049660199,27.62121440182252,0.465394528284262,1.3862610482422428,4.480007912141461,1.4013082441159028,1.0181617207970883,0.6493256434723262,0.20310352016291328,0.4600371505192511,0.40804369781675387,0.40933202889134734,6.899477877054451,12.266002999195017,25.55736985608281,0.4739884652084893,1.2774128772273523 +UMLCN0462,L,caryophyllene,CC1=CCCC(=C)C2CC(C2CC1)(C)C,Cycloalkenes,Alkenes,C15H24,NREL (2014),IQT,PubChem,,29,0,3.228899999999999,10.425795209999993,67.68719999999999,42.403031999999975,0,0,39,15,24,0,15,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2188.347350999997,2598.796048000002,3661.2280540000033,4036.5477820000096,4088.281366000007,3023.993463000002,1811.2866319999941,517.8136320000006,48.771072000000004,7098.763392582267,9529.949220881728,14258.356043399455,17815.19115088552,19142.193800062272,15790.394872550043,10710.236998498041,5615.228221041436,1492.019732684651,274.35087600000014,291.4714240000001,544.2559600000005,764.9025520000005,1034.040280000002,985.9792920000027,758.8473920000017,506.41459199999974,322.48627200000004,52.50420971637604,71.34746343999997,111.45322166273483,145.97309527273504,164.42654287184635,142.00419875093996,100.66367364729874,59.213998260017114,21.341419432751994,6339.938989931978,5703.6508425496,11535.019975146839,16281.818954246713,23646.729930905254,23103.062611856258,18101.282487601682,12227.18442531622,8876.047297163952,70.92361111111111,84.375,133.68055555555554,194.18055555555566,234.79166666666666,220.875,174.66666666666669,111.5,48.0,56.11147053846147,64.96990120000005,48.17405334210531,37.724745626168314,27.811437863945624,21.446762148936184,16.617308550458663,7.093337424657542,1.016064,182.01957416877607,238.24873052204322,187.6099479394665,166.49711355967776,130.2190054426005,111.9886161173762,98.25905503209212,76.9209345348142,31.083744430930228,7.03463784615385,7.2867856000000035,7.161262631578954,7.148621981308415,7.034287619047633,6.992760936170232,6.961902678899098,6.937186191780818,6.718464000000001,1.3462617875993856,1.7836865859999993,1.4664897587201953,1.364234535259206,1.1185479106928322,1.007121976957021,0.9235199417183371,0.8111506610961249,0.4446129048489999,162.56253820338404,142.59127106374,151.77657862035315,152.16653228267955,160.86210837350512,163.85150788550538,166.06681181285947,167.4956770591263,184.917652024249,1.818554131054131,2.109375,1.758954678362573,1.8147715472481838,1.597222222222222,1.5664893617021276,1.6024464831804284,1.5273972602739727,1.0,0.07129833676755538,-0.0033087217680151963,-0.0017444901416424421,-0.0413963444864734,0.006212369692707935,0.007675153877938852,-0.016333502382595226,-0.028529341715266058,0.041775708539567885,1117.5323907692316,45.84748269822343,159.74982252662562,-728.5451547514801,-58.74208720709936,-128.94604508875466,-152.58615335502725,-555.1843607988139,859.6403005917188,2078.099200977439,85.25535183497169,297.06161654998,-1354.760825252602,-109.23341953856001,-239.78067703585995,-283.7404678257681,-1032.3890261266145,1598.537846905722,0.2189169230769231,0.008981207100595148,0.03129389349112761,-0.1427169940828355,-0.011507171597632579,-0.025259644970415523,-0.02989057988165893,-0.10875680473372955,0.16839763313608952,9.290070321683077,0.38113109012034996,1.3280036421380481,-6.056411228943372,-0.4883242092166813,-1.0719311909634506,-1.2684519093067497,-4.615259294425908,7.146207939756182,50.46380943183688,2.0703101305362717,7.213736861088902,-32.89852191806364,-2.6525848547504287,-5.822747242134696,-6.890250903192658,-25.070161736969823,38.818314947567735,7.460470085470083,-1.9106673241288612,1.6925953320184084,-4.508711374095988,-0.22066074950690584,2.8875739644970384,-0.25152038132807686,-5.065787310979623,3.6469428007889504,0.0018281624812193688,-8.27180442003799E-5,-2.2953817653190027E-5,-3.868817241726486E-4,4.2261018317741056E-5,5.443371544637484E-5,-1.498486457118828E-4,-3.908129002091241E-4,8.703272612409976E-4,28.654676686390555,1.1461870674555859,2.1019713490345477,-6.80883322197645,-0.3996060354224446,-0.9145109580762741,-1.399872966559883,-7.605265216422109,17.909172928994142,53.28459489685741,2.1313837958742923,3.9087054809207893,-12.661316123856093,-0.7430844866568709,-1.7005721775592904,-2.6031235580345697,-14.14231542639198,33.302871810535876,0.005613254437869823,2.245301775148787E-4,4.1176175646220534E-4,-0.0013338036830171543,-7.828007889545972E-5,-1.7914641822989734E-4,-2.742255035014581E-4,-0.001489819242927802,0.0035082840236685315,0.2382069313252071,0.00952827725300875,0.01747373213339537,-0.0566019741022745,-0.0033219333960318453,-0.007602348872081209,-0.011637173479878438,-0.06322273006062887,0.1488793320782538,1.293943831585561,0.05175775326340679,0.09491759027748556,-0.3074628216641462,-0.018044794930275027,-0.041296079731451746,-0.06321331103846475,-0.34342687310917563,0.8087148947409944,0.19129410475564315,-0.04776668310322153,0.02227099121076853,-0.0421374894775326,-0.001501093534060584,0.020479247975156302,-0.00230752643420254,-0.06939434672574826,0.07597797501643647,-0.04524654949991517,-0.01255567701940805,-0.2116232709877088,0.02311666427458533,0.029775097129259548,-0.08196680943366426,-0.21377361379195092,0.47606669001351387,0.03999999999999873,0.07335526315789395,-0.23761682242990662,-0.013945578231292213,-0.03191489361702057,-0.048853211009173524,-0.26541095890410815,0.6250000000000016,0.03999999999999992,0.07335526315789472,-0.23761682242990692,-0.013945578231292813,-0.03191489361702149,-0.048853211009174724,-0.26541095890411015,0.6249999999999999,0.04000000000001529,0.07335526315790257,-0.23761682242989865,-0.013945578231291842,-0.031914893617022946,-0.048853211009177784,-0.2654109589041138,0.6249999999999808,0.04000000000000196,0.07335526315789576,-0.2376168224299058,-0.013945578231292709,-0.03191489361702183,-0.04885321100917516,-0.26541095890411076,0.6249999999999973,0.03999999999998791,0.07335526315788864,-0.237616822429912,-0.01394557823129267,-0.03191489361701948,-0.048853211009171095,-0.2654109589041051,0.6250000000000145,-0.24970284977803228,0.11642277862779532,-0.22027594384760854,-0.007847045448567604,0.10705634656810911,-0.012062715874857447,-0.36276259958137125,0.39717886295288524,1.245677651913826,1.0339811265639836,1.2985362034618906,0.8927529801985665,0.9023905048143176,1.145350508476569,1.1942908024895975,0.06559940125973712,1.2349999999999999,1.0562500000000001,1.3465732087227416,0.9941609977324264,0.9634751773049646,0.9441896024464833,1.127853881278539,0.0,1.2349999999999999,1.05625,1.346573208722741,0.994160997732426,0.9634751773049641,0.9441896024464829,1.1278538812785386,0.0,1.234999999999998,1.0562499999999981,1.3465732087227418,0.9941609977324265,0.9634751773049646,0.9441896024464822,1.127853881278537,0.0,1.2350000000000003,1.0562499999999995,1.3465732087227402,0.9941609977324255,0.9634751773049633,0.9441896024464822,1.1278538812785381,0.0,1.235,1.0562499999999992,1.34657320872274,0.9941609977324253,0.9634751773049636,0.9441896024464824,1.127853881278538,0.0,1.5528139768008022,0.617839753687527,1.2907334367442438,0.9245948128642846,0.809157091741545,1.2496889562725735,1.4739788802159455,0.0,87.17036065152746,43.585180325763716,62.137763896163605,87.17036065152743,5.8113573767684965,43.585180325763716,-2.1316282072803006E-14,0.019332163026110183,0.0012888108684073454,-5.918977638102396,159.14445832841372,10.60963055522758,7.6047184990363546,87.17036065152746,43.585180325763716,62.137763896163605,87.17036065152743,5.8113573767684965,43.585180325763716,-2.1316282072803006E-14,0.019332163026110183,0.0012888108684073454,-5.918977638102396,159.14445832841372,10.60963055522758,7.6047184990363546,87.17036065152746,43.585180325763716,62.137763896163605,87.17036065152743,5.8113573767684965,43.585180325763716,-2.1316282072803006E-14,0.019332163026110183,0.0012888108684073454,-5.918977638102396,159.14445832841372,10.60963055522758,7.6047184990363546,87.17036065152746,43.585180325763716,62.137763896163605,87.17036065152743,5.8113573767684965,43.585180325763716,-2.1316282072803006E-14,0.019332163026110183,0.0012888108684073454,-5.918977638102396,159.14445832841372,10.60963055522758,7.6047184990363546,87.17036065152746,43.585180325763716,62.137763896163605,87.17036065152743,5.8113573767684965,43.585180325763716,-2.1316282072803006E-14,0.019332163026110183,0.0012888108684073454,-5.918977638102396,159.14445832841372,10.60963055522758,7.6047184990363546,87.17036065152746,43.585180325763716,62.137763896163605,87.17036065152743,5.8113573767684965,43.585180325763716,-2.1316282072803006E-14,0.019332163026110183,0.0012888108684073454,-5.918977638102396,159.14445832841372,10.60963055522758,7.6047184990363546,114.94063920866719,56.725782554815936,82.8781655792745,114.4989725420005,7.633264836133366,56.725782554815936,-0.7361111111111782,0.12431081392586824,0.008287387595057882,-3.127455428475794,150.32632570374096,10.021755046916065,7.519212653706047,0,11.900000000000018,12.100294469180703,-0.1388467133306292,0.06189668358287029,6.612798075772205,10.739885527006464,16.0,40.0,38.0,38.0,14.0,2.0,2.0,0.0,0.0,2.0,26.236967999999994,3.856564248534118,3.5274657172063093,3.3213878491335196,2.9156988062169686,2.6122200406340563,2.4776757252512502,2.3335527931030473,2.10209221507534,2.079304626645694,1.8970916904240125,1.652262516505041,1.412108499401206,1.366672150790448,1.2496297225843553,1.2025370762624605,0.9484722834378342,3.871659162139317,3.5462441912534053,3.3436013186245175,2.9525536668325616,2.6608009122021383,2.5278378375739874,2.4054545878412874,2.165841737941457,2.0410290611129094,1.8500195359034068,1.5879773814783245,1.3292451154460292,1.2780539071284585,1.1345406859483507,1.1020693357168332,0.8377351755267616,3.9396136828539245,3.632624939200859,3.4457089118913204,3.1173096124683766,2.876201727894951,2.747865557116393,2.704236987233522,2.435412518109905,1.9345628496994078,1.7186299764414694,1.4086471310277995,1.0934236749231387,0.9993087816406748,0.7847447883659542,0.7603185604309001,0.48594944038967314,3.8828566474757853,3.560278899289723,3.360206455105116,2.979883820054178,2.6967853095241794,2.5648605531339865,2.4575399160416906,2.21229034093465,2.017233083393593,1.8206767607413517,1.547794547470889,1.2773372816542705,1.21969908164254,1.058262670532712,1.036128569267396,0.7649934409830413,3.973813085992079,3.677019355667816,3.4979796918060693,3.1984107666760395,2.980164226829163,2.852895925054853,2.8389820851496492,2.559550010327756,1.9030059606757286,1.6797992179752974,1.3565132202659302,1.0214142465314706,0.9092490986303772,0.679718287111232,0.6313372621875604,0.3676725767763767,3.84334068225387,3.578559697339257,3.4964402642888324,3.004247213379941,2.8302166987984942,2.6600269559136955,2.6301558540458854,2.323681800460113,2.1044799509223973,1.7908814842871823,1.490651980232699,1.1992638765359462,1.1376926737798627,0.8825830385119052,0.8539965578700162,0.6625172455960784,0,0,1,1,2,3,5,2,1,0.0,0.11785113019775793,0.3870769754728264,0.6437925520601727,0.83006650684579,0.0,0.11785113019775793,0.3779611588277282,0.5862944921610614,0.6868867239266071,1.8287881043279908,0.20412414523193154,0.42885536416183107,0.08333333333333333,1.6346407885768037,0.20412414523193154,0.38511002862997024,0.08333333333333333,3.231018258646802,4.303859245669357,5.52101642746944,2.823606181368605,3.6381755753010605,4.168845494025832,11.05204176387779,7.00483718255332,7.0537625523428344,5.340158939856399,4.015656417416999,3.014747394419679,2.059383758880631,1.2948724138545074,0.7368027842585193,0.4378023239095825,0.29390677301428475,0.17800529799521328,0.11473304049762853,0.07730121524153023,0.05280471176617003,0.033201856765500186,10.474691494688164,6.338317170882457,6.191766860733703,4.567793078430632,3.3220844901471724,2.2819750241217456,1.5174503367648338,0.8760277155767375,0.6983127663125442,0.39614482318015354,0.2579902858639043,0.15225976928102106,0.09491669971849064,0.058512180105685783,0.038908982993970095,0.022462249117352246,21.501933645430462,37.65404224326294,35.705882352941174,36.12,24.5826538922156,296.56714491017965,0.5513316319341144,0.9654882626477678,0.9155354449472096,0.9261538461538461,0.630324458774759,7.604285766927683,4.577580000000005,66.20300000000005,118.77563716532461,147.21111038034442,239.9237593751007,15.994917291673381,118.77563716532461,0.032413733222131424,0.002160915548142095,-5.143759621662895,404.10383378941117,26.940255585960745,9.002507788903277,165,0.0,0.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,9.0,5.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,1.0,5.0,0.0,1.0,0.0,2.0,0.0,0.0,2.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.828903533635678,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3016340702947846,0.2444486961451247,0.0,0.0,2.5381901927437642,1.58718537414966,0.0,0.5460827664399093,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.14437074829932,4.3015192743764175,6.481494236583522,0.0,2.419583333333333,0.0,1.7275462962962957,0.0,0.0,3.1078009259259263,0.0,0.0,0.5676851851851852,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5187731481481483,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3016340702947846,0.2444486961451247,0.0,0.0,0.22899092970521542,0.30232426303854876,0.0,0.2444486961451247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2864625850340135,4.3015192743764175,1.2165825774754344,0.0,2.419583333333333,0.0,0.832685185185185,0.0,0.0,1.5187731481481483,0.0,0.0,0.5676851851851852,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.3015192743764175,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3016340702947846,0.2444486961451247,0.0,0.0,0.33368055555555554,0.33368055555555554,0.0,0.3016340702947846,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.428954081632653,4.3015192743764175,1.3740277777777778,0.0,2.419583333333333,0.0,0.8948611111111109,0.0,0.0,1.589027777777778,0.0,0.0,0.5676851851851852,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,25.75,1.7166666666666666,0.33368055555555554,4.3015192743764175,-0.026527777777777817,0.5676851851851852,8.69090496362434,0.6823148148148148,1.3015192743764172,5.730946712018139,0.6823148148148148,1.3015192743764172,5.730946712018139,7.5,0.5,0.0,0.0,0.45385,0.7,0.43953,0.43953,0.7,0.01431,0.01431,-0.0,0.0,0.71429,0.0,0.0,0.26667,0.26667,0.06667,10.0,0.66667,8.0,0.53333,2.0,0.13333,-6.0,-0.4,0.0,0.0,18.96695,1.26446,22.27557,3.30862,0.22057,5.96527,0.39768,7.00481,1.03954,0.0693,0.40919,0.02728,0.58119,0.03875,0.28205128205128205,46.0,0,0,0,0,0,0,0.7333333333333333,0.961236604722876,2.5226216834088917,4.060416641661803,4.406821128952237,4.406821128952237,4.406821128952238,37.48822758419216,98.38224565294678,158.35624902481032,171.86602402913726,171.86602402913726,171.8660240291373,0.18186631119434363,0.4772809294260142,0.7682322883906951,0.8337721419243023,0.8337721419243023,0.8337721419243025,4.324165614139373,2.762780535453357,1.2249855772004459,0.8785810899100115,0.8785810899100115,0.8785810899100106,0.1782603896169623,0.4678177276346128,0.7530003008556931,0.8172406747304057,0.8172406747304057,0.817240674730406,6.796774065078518,21.8564993379055,25.873898238324827,26.223013351813254,26.223013351813258,26.223013351813254,58.06266587286679,28.86670607571359,21.24130498787717,19.59837624486101,19.598376244861008,19.598376244861015,11.484375,4.107638888888889,2.24,0,2,0,3.11,1.918900000000001,1.2761859464658525,6.65734534683898,5.33214865341961,1.8914832180063517,5.773470188248168,10.742874792194039,2.065979662384912,2.8039657955522017,1.8072040072196898,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.181,0.187,0.36200000000000004,0.6839999999999999,6.89,24.0,30.0,35.0,39.0,39.0,39.0,41.0,37.0,28.0,343.0,2.9444389791664403,3.4011973816621555,3.6375861597263857,3.8066624897703196,4.04305126783455,4.110873864173311,4.204692619390966,4.3694478524670215,4.3694478524670215,4.174387269895637,6.302618975744905,1.5889212827988337,0.3333333333333333,2.0,0.0,1.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,3.0,1.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.1875,1,4.0,6.0,0.5,4.5,2.444444444444445,2.0625,1.0533333333333335,0.632222222222222,0.15111111111111108,0.0,0.0,0.0,0.0,0.28125,0.11111111111111115,0.09375,0.04787878787878788,0.042148148148148136,0.018888888888888886,0.0,0.0,0.0,0.0,0.595026936026936,45.90359717528891,64.24330551862188,91.80719435057782,6.120479623371853,45.90359717528891,0.07563425023137804,0.005042283348758536,-3.8727690795031924,130.3152627576144,8.68768418384096,7.30493491917907,0.0,238.01039328560026,4.906890595608519,4.394449154672439,5.241747015059643,6.154858094016418,7.034387929915503,7.954021087278037,8.846928500099018,9.7705845338719,10.670790918373239,11.597055193997647,102.66482242728385,3.4965075614664802,0.0,4.919980925828125,0.0,6.541029999189903,0.0,8.253488028345904,2.9444389791664403,10.016057021139623,10.207879238550856,204.187800768,5.235584635076923,29.864153791387885,1.9909435860925258,0.0,0.0,0.0,337.0,22.0,6.044000000000002,80.0,1.2595359122316878,2.1783570030583883,3.017339233140054,3.6454209257087005,4.2501878006229905,5.025270077497447,5.839101163233385,6.341019314831162,0.0,0.0,93.57031593833756,117.34700260946668,120.8884377183038,107.74515725181621,99.60472354925628,90.4400668311783,42.16595420358567,6.44288144910461,0.0,0.0,327.5091748712512,441.6359389354995,521.9889976333224,492.62094822853953,503.3683479365749,516.872416847439,454.78509219386405,197.10262381380446,0.0,0.0,9.215529359157646,15.664470814960124,21.61202969511303,25.68254255914204,29.795764356582858,35.05105070567529,40.53382524572025,42.60190998999784,0.0,0.0,2.3954249959619536,3.3881142174526486,4.2343631270132,4.186178240664977,4.457584586689783,4.791916751342094,4.781458915689853,2.819299017270699,0.0,0.0,177.26031595695966,326.119410927036,456.13537090744904,583.576928245611,690.7970486868744,829.6167794540816,975.882060192605,1172.5664031389908,0.0,0.0,2.7055577969234372,3.97606281126905,5.55456738078371,5.911651325398171,6.832987416382414,8.203421179499,8.924285501209,6.341019314831162,0.0,0.0,0.493413700630324,0.7048766957598831,0.8892248058617452,0.8879562190456389,0.952266962794095,1.0315940958284462,1.0474467616778749,0.649320377838711,0.0,0.0,399.81177836614523,299.71441139453844,12.536129581881006,60.570102710752046,-45.40569754159342,-4.277964392655118,339.2416756553932,345.1201089361319,16.814093974536124,0.8684350857399727,0.6510126130365181,0.027229850037879977,0.13156491426002723,-0.09862616103697038,-0.00929220842194824,184.06609860090546,137.98308450367267,5.771406918330116,27.885377822996904,-20.903960445807428,-1.9694972942705498,0.07625438306452804,0.13228419508859163,1.9669290645962723,2.907951521902432,460.3818810768973,0.0,1.0,0.0,1059.970325694266,32.55718546948225,10.196033077728561,1293.0961285379867,35.95964583443484,10.89457443569856,2242.3378759188927,47.353330146029776,13.088815650396576,1.4820477900221551,1.4820477900221551,1177.0398680540438,965.1474232078526,535.913811173184,1.2195441232614246,2.1963230719457534,1.800937768509868,5.107224700013084,4.711088593267942,8.279850359193057,0.7575238069232683,6.938716618089094,13.27559181556025,8.687988832565802,37.524512604292305,20.7097239486281,30.154541432497115,22.1916438004502,37.85356305188197,21.74516862796091,20.846462648560554,12.233011723428096,11.533052810292707,6.868324665092314,5.197060201166588,0.5970795188867951,0.00785514588859944,2.997883751043683E-23,2.206740298185313E-65,3.1330228942818765E-129,8.579299237386755E-215,4.55E-322,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.582435972675408,12.032006202597692,1.0016777959274659,15.218326949755896,5.578715915293613,7.562005650685602,2.484277086317377,7.01726900570853,4.352951889635688,1.5582576792842848,0.5970066673659815,1.2473535877423034,0.22351565456813802,0.1130412022124619,0.004205279872390764,5.532443477164985E-5,2.1114340381420607E-25,1.554225235486904E-67,2.2066136416937797E-131,6.042470601776402E-217,4.9E-324,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8798883623357059,12.115105918836809,2.280319731006308,18.804418314162305,7.775059979819326,10.608174529691768,5.36518704451857,11.16396469736885,6.685651700179254,4.160249649167405,2.2001654505157457,2.544104744600415,0.9540685115278861,0.5778185176522168,0.043822258554257885,5.7652326568401E-4,2.200277060164055E-24,1.6196225267728804E-66,2.2994615454509526E-130,6.296720243983199E-216,3.5E-323,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.5495896712313595,13.139057312594236,8.114740557689515,35.81682420858836,19.46777756914776,28.217638464813525,20.5812476691064,35.20602003635476,20.249745859676334,19.193323594108058,11.247556540932262,10.619372937258142,6.240148916879357,4.683119087569409,0.5319871017820024,0.006998793566289542,2.6710604496525103E-23,1.9661658765404507E-65,2.791466993294437E-129,7.644001162733475E-215,4.05E-322,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.770548753329366,12.2228482870843,3.2442628238583056,21.5533026973351,9.5476990979075,13.164088279722924,7.681860640921492,14.64822283467389,8.648454906426283,6.342866824945299,3.529905859404972,3.672645564094516,1.6413814342111532,1.0670030038115743,0.09518780139926092,0.001252285571925446,4.779295790279853E-24,3.518036552847074E-66,4.9947377460112824E-130,1.3677317779423195E-215,7.4E-323,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.379478554846537,13.849700789434788,10.927074835549648,44.23576531337497,25.666474392356953,37.95482429490191,28.61284262821112,48.51888175146088,27.771055063567303,27.503586551372166,16.19180152418685,15.238455094755613,9.445543099918542,7.330104708723945,0.870784363822468,0.01145599203955657,4.372131705067015E-23,3.218323331979146E-65,4.5692194448906835E-129,1.2512101641692153E-214,6.6E-322,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.354441890442604,10.070073370217452,4.2819532562348925,25.430669775713653,11.670879590770271,16.183200312842118,10.952496241818809,23.032541046542487,12.895153352022746,11.328958195297163,5.9339857697655995,5.959046142995272,3.0974856820664636,2.100918294376748,0.20260969629706768,0.002665522216887359,1.0172854655252391E-23,7.48823175932428E-66,1.0631428428140973E-129,2.9112524511822346E-215,1.53E-322,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.934193618662462,2.458865085910388,1.4689554657992714,0.5567801544663151,0.2774611999753933,0.5192811070490957,0.46919957066574225,0.5171280506946244,8.86201417037212,22.992590409108132,49.6767308827377,0.3351702316994725,1.5056087284094624,3.9428698876286408,1.8330245914806338,0.7937323734671785,0.6001664898337933,0.27901502362524055,0.3305761633362973,0.26362578943759235,0.15226935232378946,6.5696268525764525,11.81189189883116,24.118122220670486,0.40024973475068987,0.7464713050976791,4.309042440979007,2.0648424725924914,1.0444600179658403,0.5808630470470755,0.27834274243764295,0.39514493601521344,0.3331622037589288,0.26336421883381744,7.418344931537338,15.554761799678163,32.2661833159006,0.37129457057061316,0.9916713586079597,4.906680422705527,2.4415609402765814,1.4503602913541591,0.5576659355054833,0.2774942014874935,0.5134467336559985,0.46275619935122386,0.5043460672397565,8.798601654336267,22.63755675065302,48.81141561715771,0.33649890325822485,1.4805490002469788,4.483387067917167,2.1749242734951544,1.163275577901232,0.5732068331103636,0.27806688028035526,0.42799531672938756,0.3689144814188172,0.3262323415502447,7.821586919313553,17.49647833501506,36.661197243393495,0.35981024966554537,1.1231421396984493,5.021433075472335,2.513714655852329,1.527867321593746,0.55405767795292,0.2773596470021177,0.5380077241482423,0.4899073647872044,0.5585982741056972,9.06301505291841,24.13515589726865,52.483599694069454,0.33108651692938,1.5865133630411439,4.914305066051371,2.4555026837140095,1.454946483936748,0.5568772722625432,0.2782516791613681,0.5151220268706097,0.4667710157359337,0.5056135129757575,8.824754233702128,22.789765151089433,49.17148850157369,0.3353159083938148,1.4875065555823008 +UMLCN0463,L,"1,3-dimethylcyclohexane",CC1CCCC(C1)C,Naphthenes,,C8H16,NREL (2014),IQT,PubChem,,30.5,0,0.5524000000000004,0.3051457600000005,33.7512,24.74868799999998,0,0,24,8,16,0,8,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1170.3699919999983,1347.8263759999995,1791.800313999998,1516.485774999997,813.4494510000005,220.13107200000005,21.337344,0.0,0.0,3885.4751248895254,5223.9210759229345,7758.6317201771135,8237.925344546506,5757.609485290641,2643.963217132489,652.7586330495353,0.0,0.0,167.81955200000002,174.2062400000001,341.88349600000004,485.2951,497.3722679999997,288.56217600000014,141.087744,0.0,0.0,29.425006477583977,40.12790896000001,63.51436972849005,73.84555630667795,57.775069778809126,29.376644486073964,9.336871001829005,0.0,0.0,3973.0372811079847,3464.315612126401,7404.551417103692,11080.65074567948,12249.438137225412,7257.819716036875,3883.2706925092293,0.0,0.0,36.55555555555556,44.5,75.19444444444446,102.58333333333334,94.33333333333334,55.0,21.0,0.0,0.0,48.76541633333326,56.159432333333314,37.329173208333295,21.97805471014488,11.297909041666674,5.241216000000001,1.016064,0.0,0.0,161.8947968703969,217.6633781634556,161.6381608370232,119.39022238473197,79.96679840681446,62.95150516982116,31.083744430930253,0.0,0.0,6.992481333333334,7.258593333333337,7.122572833333334,7.033262318840579,6.907948166666662,6.870528000000003,6.718463999999999,0.0,0.0,1.2260419365659991,1.6719962066666672,1.3232160360102094,1.0702254537199702,0.8024315247056824,0.6994439163350944,0.44461290484900023,0.0,0.0,165.54322004616603,144.34648383860005,154.2614878563269,160.5891412417316,170.13108523924183,172.80523133421133,184.917652024249,0.0,0.0,1.5231481481481481,1.8541666666666667,1.5665509259259263,1.4867149758454108,1.3101851851851853,1.3095238095238095,1.0,0.0,0.0,0.0321999422842611,-0.0027977266321053003,-0.0036975878675616514,-0.018142177049418253,0.0011194853305760216,-0.0048149237073511,0.012232958783729712,0.0,0.0,645.6853813333338,6.323830348264892E-13,-80.71067266666614,-403.55336333333213,-40.35533633333375,-80.71067266666734,282.48735433333275,0.0,0.0,1200.6795383425201,0.0,-150.08494229281507,-750.424711464077,-75.04247114640775,-150.08494229281496,525.297298024853,0.0,0.0,0.12648533333333326,2.9351521213527576E-15,-0.015810666666663725,-0.07905333333333164,-0.007905333333335752,-0.015810666666668798,0.0553373333333307,0.0,0.0,5.367596185861331,1.2045919817182948E-14,-0.6709495232326544,-3.354747616163328,-0.3354747616163456,-0.670949523232676,2.348323331314323,0.0,0.0,29.156867671727976,-1.1368683772161603E-13,-3.6446084589661116,-18.22304229483004,-1.8223042294828975,-3.644608458965909,12.756129606381087,0.0,0.0,2.314814814814813,-0.8888888888888888,0.3425925925925929,-1.2337962962962976,0.7685185185185189,-0.9398148148148169,0.7939814814814814,0.0,0.0,0.0013416642618442126,-1.1657194300438751E-4,-7.703308057420107E-5,-2.6293010216548194E-4,1.554840736911141E-5,-1.1464104065121666E-4,5.82521846844272E-4,0.0,0.0,26.903557555555576,2.6349293117770383E-14,-1.6814723472222113,-5.848599468599017,-0.5604907824074132,-1.9216826825396984,13.45177877777775,0.0,0.0,50.028314097605005,0.0,-3.126769631100314,-10.875720456001115,-1.0422565437001077,-3.573451006971785,25.014157048802524,0.0,0.0,0.005270222222222219,1.222980050563649E-16,-3.293888888888276E-4,-0.001145700483091763,-1.0979629629632988E-4,-3.764444444444952E-4,0.0026351111111109857,0.0,0.0,0.22364984107755545,5.019133257159562E-16,-0.013978115067346968,-0.04861953066903374,-0.004659371689115911,-0.015974988648397047,0.11182492053877728,0.0,0.0,1.214869486321999,-4.736951571734001E-15,-0.07592934289512733,-0.26410206224391364,-0.025309780965040243,-0.08677639188014069,0.6074347431610041,0.0,0.0,0.09645061728395055,-0.037037037037037035,0.007137345679012352,-0.017881105743424604,0.010673868312757207,-0.022376543209876594,0.037808641975308636,0.0,0.0,-0.08688607598755826,-0.0574160635897938,-0.19597309822061287,0.011588895829824834,-0.08544689152980377,0.4341785522732449,0.0,0.0,9.793980986848806E-16,-0.06249999999999955,-0.21739130434782528,-0.020833333333333533,-0.07142857142857197,0.4999999999999986,0.0,0.0,0.0,-0.06250000000000003,-0.21739130434782664,-0.0208333333333334,-0.07142857142857141,0.5000000000000004,0.0,0.0,2.3205474057751832E-14,-0.06249999999998842,-0.21739130434782158,-0.02083333333333972,-0.0714285714285811,0.4999999999999766,0.0,0.0,2.2441926329914392E-15,-0.06249999999999889,-0.21739130434782583,-0.020833333333334102,-0.07142857142857245,0.499999999999998,0.0,0.0,-3.899144414331335E-15,-0.06250000000000197,-0.21739130434782675,-0.020833333333332177,-0.0714285714285697,0.5000000000000038,0.0,0.0,-0.3840000000000003,0.07400000000000012,-0.18539130434782644,0.1106666666666668,-0.2320000000000007,0.39200000000000024,0.0,0.0,1.5242748196330385,1.1648050635751683,1.2423546942163435,0.8208100826324916,0.9198616941757877,0.002465251016608503,0.0,0.0,1.4374999999999996,1.2578125,1.25,0.8385416666666666,0.8214285714285712,0.0,0.0,0.0,1.4375000000000007,1.2578125000000002,1.25,0.8385416666666667,0.8214285714285718,0.0,0.0,0.0,1.437499999999999,1.257812499999999,1.249999999999999,0.838541666666666,0.8214285714285708,0.0,0.0,0.0,1.4375000000000009,1.2578125000000009,1.25,0.8385416666666673,0.8214285714285721,0.0,0.0,0.0,1.4374999999999998,1.2578124999999998,1.2499999999999991,0.8385416666666665,0.8214285714285714,0.0,0.0,0.0,1.9090000000000011,0.7877500000000003,1.1960000000000006,0.7321666666666671,1.3602857142857154,0.0,0.0,0.0,31.141387555896408,15.570693777948199,22.399120902694392,31.141387555896408,3.892673444487051,15.570694452209118,-1.0658141036401503E-14,6.661338147750939E-16,8.326672684688674E-17,-27.95603288035924,4000010.4136827094,500001.3017103387,12.161446018001163,31.141387555896408,15.570693777948199,22.399120902694392,31.141387555896408,3.892673444487051,15.570694452209118,-1.0658141036401503E-14,6.661338147750939E-16,8.326672684688674E-17,-27.95603288035924,4000010.4136827094,500001.3017103387,12.161446018001163,31.141387555896408,15.570693777948199,22.399120902694392,31.141387555896408,3.892673444487051,15.570694452209118,-1.0658141036401503E-14,6.661338147750939E-16,8.326672684688674E-17,-27.95603288035924,4000010.4136827094,500001.3017103387,12.161446018001163,31.141387555896408,15.570693777948199,22.399120902694392,31.141387555896408,3.892673444487051,15.570694452209118,-1.0658141036401503E-14,6.661338147750939E-16,8.326672684688674E-17,-27.95603288035924,4000010.4136827094,500001.3017103387,12.161446018001163,31.141387555896408,15.570693777948199,22.399120902694392,31.141387555896408,3.892673444487051,15.570694452209118,-1.0658141036401503E-14,6.661338147750939E-16,8.326672684688674E-17,-27.95603288035924,4000010.4136827094,500001.3017103387,12.161446018001163,31.141387555896408,15.570693777948199,22.399120902694392,31.141387555896408,3.892673444487051,15.570694452209118,-1.0658141036401503E-14,6.661338147750939E-16,8.326672684688674E-17,-27.95603288035924,4000010.4136827094,500001.3017103387,12.161446018001163,35.83226546868818,17.82585495656631,25.825052814526025,35.727621920770204,4.4659527400962755,17.825855023576633,-0.1805555555555607,0.0038863327561360905,4.857915945170113E-4,-4.44023144177508,56.959496859689686,7.119937107461211,3.233872347074374,0,11.889999999999999,12.110114161591722,-0.16318445828125533,0.05775717137010171,5.991735649847669,8.131494617327947,8.0,24.0,24.0,24.0,8.0,0.0,0.0,0.0,0.0,0.0,17.491311999999997,3.657350532683336,3.0423645406791193,2.853663762506942,2.228199051539127,2.175487459628749,1.3779703667497232,1.0995080605767753,0.8488981666718326,2.0098820534955677,1.5859503474370709,1.4611054014199152,1.1225802751387288,1.0666054041307573,0.6224884035909269,0.41303509776074326,0.3304103939123619,3.6809329337625494,3.078435564479957,2.895085076098242,2.297520320587784,2.2437490905456365,1.4812732709300145,1.2096883888320225,0.9838260430296643,1.957719315417081,1.5068156788154174,1.3748318799241501,1.0093718708567996,0.9527940970927677,0.47545631997519505,0.25952156227061707,0.16668874877035067,3.7847927666839425,3.239284907023129,3.077882532864047,2.5876903418119315,2.531187307424715,1.9019996541997806,1.6565796332181009,1.5051799616105472,1.805580128074162,1.2716485663625146,1.1142699903064686,0.6424522169821737,0.585704834804598,0.0210150985322895,0.2620568339090257,0.4033341136733682,3.69831123707807,3.105160528901112,2.9256768061346006,2.3478758507634123,2.29344072304156,1.5557312483530374,1.2890206755966815,1.0791741224568103,1.9246292857408542,1.4561262204625385,1.3192162402713405,0.9344166050543622,0.8775716573046533,0.37661463812912216,0.15609231324521072,0.05550626804533849,3.8355473498074675,3.3182822666747755,3.16646998090859,2.7193837427461394,2.6624209379982022,2.0858173796309085,1.8506290283608464,1.7220407142032257,1.7584397991681318,1.1982852801438353,1.0315950868176955,0.51662712236007,0.4605609392741866,0.19907682913091249,0.45044845527046273,0.6165501267290924,3.6933375837354694,3.2025280880629072,2.9925698051672867,2.5013669415327215,2.4145758828153516,1.6769693905074616,1.4031804933819603,1.232251244235764,1.9139341917926584,1.3496243618153008,1.2303105178410276,0.7539427222683058,0.7225836988206169,0.21740349952545218,7.079825716692977E-4,0.12435912414347935,0,0,0,0,0,2,4,2,0,0.0,0.0,0.0,0.08333333333333333,0.16666666666666666,0.0,0.0,0.0,0.08333333333333333,0.16666666666666666,0.5773502691896258,0.0,0.0,0.0,0.5773502691896258,0.0,0.0,0.0,0.7415816237971964,1.093412988719178,1.0202200572599405,0.7415816237971964,1.093412988719178,1.0202200572599405,5.983127663125442,3.787693700234704,3.3769493512234936,2.1985847042417173,1.7373635395785572,0.9714045207910318,0.4511844635310912,0.0,0.7478909578906803,0.473461712529338,0.3376949351223494,0.21985847042417173,0.15794213996168702,0.09714045207910318,0.09023689270621824,0.0,5.983127663125442,3.787693700234704,3.3769493512234936,2.1985847042417173,1.7373635395785572,0.9714045207910318,0.4511844635310912,0.0,0.7478909578906803,0.473461712529338,0.3376949351223494,0.21985847042417173,0.15794213996168702,0.09714045207910318,0.09023689270621824,0.0,12.334622430286998,23.102694828841948,21.80392156862746,22.080000000000002,14.388435928143707,184.2260407185629,0.5139426012619582,0.9626122845350812,0.9084967320261441,0.92,0.5995181636726544,7.676085029940121,2.832600000000001,36.79599999999999,30.917337183771973,41.28122385587676,61.834674367543954,7.729334295942994,30.917337183772048,1.1102230246251565E-16,1.3877787807814457E-17,-29.38944045574168,4000010.2930924576,500001.2866365572,12.161445993883175,54,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,4.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.741388888888888,0.0,5.899814814814815,0.0,0.0,0.0,2.025462962962963,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.370694444444444,0.0,1.4722222222222223,0.0,0.0,0.0,1.0127314814814814,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.370694444444444,0.0,1.4765277777777779,0.0,0.0,0.0,1.0127314814814814,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.666666666666666,1.5833333333333333,0.2,2.370694444444444,0.2,1.0127314814814814,5.752812499999999,0.3206018518518519,0.37069444444444444,1.4827777777777778,0.3206018518518519,0.37069444444444444,1.4827777777777778,4.0,0.5,0.0,0.0,0.43333,0.7,0.43333,0.43333,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.25,0.25,0.0,4.0,0.5,4.0,0.5,0.0,0.0,-4.0,-0.5,0.0,0.0,8.42549,1.05319,8.42549,0.0,0.0,3.78768,0.47346,3.78768,0.0,0.0,0.12632,0.01579,0.21232,0.02654,0.25,8.0,0,0,0,0,0,0,1.0,0.9182958340544896,1.4182958340544896,2.605388542207534,3.105388542207534,3.1053885422075336,3.105388542207534,22.03910001730775,34.039100017307746,62.52932501298082,74.52932501298082,74.5293250129808,74.52932501298082,0.20028426271971758,0.30933640871248336,0.5682464233453903,0.6772985693381561,0.677298569338156,0.6772985693381561,3.6666666666666674,3.1666666666666674,1.979573958513623,1.479573958513623,1.4795739585136234,1.479573958513623,0.20028426271971758,0.30933640871248336,0.5682464233453903,0.6772985693381561,0.677298569338156,0.6772985693381561,6.732876570223358,12.732876570223358,16.677302058804667,17.18121457480467,17.181214574804667,17.181214574804667,31.599000019230836,23.74937501201927,20.871429171233995,19.56315833669873,19.563158336698734,19.56315833669873,6.125,2.52,1.8,0,0,0,2.34,1.1272000000000002,0.25,3.03934274260637,2.3094010767585034,0.0,3.5327755290014426,5.1115448339701794,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.10699999999999998,0.10400000000000001,0.199,0.218,3.666,10.0,10.0,11.0,10.0,5.0,0.0,0.0,0.0,0.0,62.0,2.1972245773362196,2.3978952727983707,2.3978952727983707,2.4849066497880004,2.3978952727983707,1.791759469228055,0.0,0.0,0.0,0.0,4.143134726391533,1.0,0.25,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.25,0,3.0,4.0,0.3333333333333333,2.0,0.666666666666667,0.5,0.2222222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.25,0.0666666666666667,0.07142857142857142,0.07407407407407407,0.0,0.0,0.0,0.0,0.0,0.0,0.46216931216931223,15.570693777948199,22.399120902694392,31.141387555896408,3.892673444487051,15.570694452209118,6.661338147750939E-16,8.326672684688674E-17,-27.95603288035924,4000010.4136827094,500001.3017103387,12.161446018001163,0.0,134.5678770069335,4.0,3.6109179126442243,4.343805421853684,5.14166355650266,5.8888779583328805,6.690842277418564,7.4413203897176174,8.244071270295786,8.99528899055931,9.798182590890704,76.15497036821542,2.833213344056216,0.0,4.04305126783455,0.0,5.4510384535657,0.0,6.947937068614969,0.0,8.479906606630221,8.72729202920964,112.12520051199999,4.671883354666666,15.532958214174435,1.9416197767718044,0.0,0.0,0.0,61.0,7.0,4.43,36.0,1.2241661269968425,2.0947948463736252,2.8153609886585294,3.489894012674393,4.43976285429555,5.234822833370188,0.0,0.0,0.0,0.0,78.54273178317382,86.43663065889156,67.81130119915093,45.08600372498385,24.516857146935855,5.3189150273654455,0.0,0.0,0.0,0.0,289.3400735811014,361.10407369489394,354.63309669899263,300.4382171956711,288.89588156259583,162.71789509367719,0.0,0.0,0.0,0.0,8.917064339277722,14.96718784658058,19.849385104503234,24.17740647363556,30.54839840026786,35.16996875237561,0.0,0.0,0.0,0.0,2.1709629896014935,2.9060918031416256,3.1307615745900437,2.946641407651827,3.1805813518452766,2.3274697863145914,0.0,0.0,0.0,0.0,174.75287400394564,319.83753102377403,448.55684509597046,588.4393715319624,763.6391301808204,968.0111471097414,0.0,0.0,0.0,0.0,2.316970341151085,3.363889537977778,4.261770818267455,4.721366424380497,5.92455587844173,5.234822833370188,0.0,0.0,0.0,0.0,0.4492984464357241,0.6097797120099959,0.6676458275321029,0.640414087074411,0.7028319270484723,0.5360458581371071,0.0,0.0,0.0,0.0,321.0794085766741,132.0896224155278,8.183305806478293,78.87321786010702,-32.44784090024038,-4.160308243860279,242.20619071656708,164.53746331576818,12.343614050338573,0.8027935994250204,0.3302631703967736,0.020460687755407936,0.19720640057497954,-0.08112921070008094,-0.010402002559465332,128.41655275500918,52.82959141013306,3.2729346502363548,31.545550638670235,-12.977599190253947,-1.6639262089185114,0.07204821528963445,0.15146210850795497,1.2192983836959868,1.2575056717788529,399.95262643678115,0.0,1.0,0.0,558.7220360649213,23.637301793244536,8.23629575970695,713.7146133735233,26.71543773501612,8.936652339834113,944.3601887934434,30.730444005797303,9.810983758730487,1.4505200045205577,1.4505200045205577,381.2891891225678,275.4956943028427,155.7912984079091,1.3840114274288078,2.4474357234268407,1.7683638118318459,3.772133311410593,3.780722771203306,6.119384403469031,0.6185752761558313,4.463030408020769,6.04063106023099,10.549036825615843,10.276954888782385,18.110702077835857,7.9828068129745935,8.97770747763328,8.88932529750669,6.051727120995306,1.4189653684110963,2.063211621423529,5.110382423642876E-7,2.0949093367826486E-34,1.6563562838081784E-83,2.525911858286879E-154,7.4294818955547E-247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.37511901822839283,5.574379929247973,0.7098987355450397,4.143463852768751,0.9805769181678639,1.5637157842664329,1.8752050623589005,0.4525005483411126,0.2158687765255484,0.0489168324570949,0.014531368148772632,3.599284126159322E-9,1.475461774981962E-36,1.1665852739304966E-85,1.7790203749818014E-156,5.232644846409795E-249,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2095486660531334,5.605536529345093,2.3655628504079838,4.903279591719346,3.5012641527179555,2.64342437411757,2.5732150127585824,1.4067416436930822,0.8892618097446809,0.20414459900359003,0.15142805985394361,3.750731565722798E-8,1.5375449282320057E-35,1.2156717996329718E-84,1.8538763939229197E-155,5.452819368997264E-248,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.212771324852868,5.989441044352772,9.821913407541723,9.727356865741216,16.716754081179594,7.508268492767794,8.276948801113452,8.101173223221744,5.5112689293471835,1.291073351021674,1.838284409570328,4.5532587344788365E-7,1.866526503284139E-34,1.4757836285923975E-83,2.2505419903722104E-154,6.619534611946453E-247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7823585248264222,5.645931995344449,3.6068523689553893,5.57100192951431,5.521412668801392,3.453069916272651,3.2755907238681425,2.2898020732906694,1.5052794836437606,0.3476489466206396,0.32892198082374086,8.147090158360401E-8,3.339753041063593E-35,2.640601594925773E-84,4.026867254851249E-155,1.184425231132572E-247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.389627237735086,6.255877997869229,13.382924102400251,12.509557930470287,23.663874085158305,9.832420877738524,11.874266067882267,12.115942333036283,8.26080030702327,1.9424717899408968,3.009000245972878,7.453012483105008E-7,3.0552283848230077E-34,2.4156399729654475E-83,3.683805056142047E-154,1.0835201110272398E-246,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.9671936349244272,5.314903156881035,6.001497641556469,7.323199855159555,9.592014579882225,5.152280358945314,5.427358839712425,4.720406770278549,3.229093152680768,0.7679656515828859,0.8229985415096629,2.0384904958575468E-7,8.35642505531029E-35,6.607072157018774E-84,1.0075659490119409E-154,2.963560645318219E-247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0589833734903387,1.7179318628486604,0.6770796696030499,0.5608702292988247,0.3149859676210916,0.5224229679777113,0.5077206556602484,0.4206233783981943,5.453994905942048,8.489477195185522,17.501610403400456,0.34130534394823697,1.450767002036154,2.2339680922216285,1.1697773088182806,0.22288538409882824,0.6159899434417248,0.3225520815661224,0.27960099734204574,0.23544941578023496,0.046118985186181495,3.626630785138737,3.3718902839903255,7.58097522546524,0.4239849151625871,0.5611693983084622,2.56134701124089,1.3875213261258408,0.40353216244577084,0.5884906527676464,0.31879449655095254,0.366920235742814,0.331241845469821,0.15050575126436389,4.352400499812502,5.147418981096651,10.933941957072403,0.38273597915146973,0.848667832476999,3.0385318073696426,1.7043641515133106,0.6658585600860304,0.5617803131410829,0.31511212896350793,0.515490140994512,0.4997352044773979,0.4069217994054117,5.408754518968983,8.336862559533422,17.19394187515616,0.3426704697116243,1.4221471448773215,2.7074057428272145,1.4845624546926812,0.48393773637927506,0.5790120205796244,0.31749194181387774,0.4097103737984735,0.37918218564895434,0.21600349219731943,4.675905933899171,6.047964515902319,12.668967643890134,0.3685180308694366,1.0048960516447474,3.123018960533658,1.7604079854793966,0.7122035328946492,0.5581174404395781,0.31460404544494464,0.5444310115060936,0.5331295937035141,0.4649487492913781,5.595630478907704,8.975781440510442,18.48695561207767,0.3371761606593671,1.5425093545009858,3.054454473566429,1.7073930342287178,0.6676433121456267,0.5625673888881808,0.31446651092179995,0.5208303604813065,0.501525611782814,0.4087991404793177,5.429490819940773,8.394369933572817,17.305723638065206,0.34385108333227127,1.431155112743438 +UMLCN0464,L,"1,2-dimethylcyclohexane",CC1CCCCC1C,Naphthenes,,C8H16,NREL (2014),IQT,PubChem,,24,0,0.2020000000000004,0.04080400000000016,31.7974,24.74868799999998,0,0,24,8,16,0,8,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1170.3699919999983,1347.8263759999995,1791.800313999998,1637.5517839999968,758.9295860000004,162.72950400000002,12.192768000000001,0.0,0.0,3885.4751248895254,5223.9210759229345,7758.6317201771135,8463.052757985737,6034.399303488949,2421.799685373328,373.00493317116315,0.0,0.0,167.81955200000002,174.20624000000004,341.88349600000004,485.3188159999999,499.7435599999997,346.63334399999997,80.62156799999998,0.0,0.0,29.425006477583977,40.12790896000001,63.51436972849006,74.85198059152694,60.78223392486611,29.36457219880896,5.335354858188001,0.0,0.0,3973.0372811079847,3464.315612126401,7404.551417103692,11086.11765836793,12053.20059866887,9112.84921012321,2219.011824290988,0.0,0.0,36.55555555555556,44.52777777777778,74.83333333333334,102.91666666666663,100.33333333333334,58.0,12.0,0.0,0.0,48.76541633333326,56.159432333333314,37.329173208333295,23.73263455072459,10.54068869444445,3.1907745882352945,1.016064,0.0,0.0,161.8947968703969,217.6633781634556,161.6381608370232,122.65293852153242,83.81110143734651,47.48626834065349,31.083744430930263,0.0,0.0,6.992481333333334,7.258593333333335,7.122572833333334,7.033606028985506,6.940882777777774,6.796732235294117,6.718463999999998,0.0,0.0,1.2260419365659991,1.6719962066666672,1.3232160360102097,1.0848113129206802,0.8441976934009182,0.5757759254668424,0.4446129048490001,0.0,0.0,165.54322004616603,144.34648383860005,154.2614878563269,160.6683718604048,167.40556387040095,178.68331784555312,184.917652024249,0.0,0.0,1.5231481481481481,1.8553240740740742,1.559027777777778,1.4915458937198063,1.3935185185185186,1.1372549019607843,1.0,0.0,0.0,0.03220338943087995,-0.0031048402644754756,-0.0046568382401124256,-0.008608007252230354,-0.018786556504131705,0.011712847516705824,0.007341700028804167,0.0,0.0,645.6853813333338,6.608047442568932E-13,-80.71067266666614,-282.48735433333275,-403.5533633333319,282.48735433333223,161.421345333333,0.0,0.0,1200.6795383425201,0.0,-150.08494229281507,-525.2972980248533,-750.4247114640783,525.2972980248531,300.16988458563026,0.0,0.0,0.12648533333333326,2.9351521213527576E-15,-0.01581066666666371,-0.05533733333333166,-0.07905333333333464,0.05533733333332887,0.03162133333333184,0.0,0.0,5.367596185861331,1.226796442210798E-14,-0.6709495232326547,-2.3483233313143286,-3.3547476161633405,2.3483233313143157,1.3418990464653273,0.0,0.0,29.156867671727976,-1.1368683772161603E-13,-3.6446084589661116,-12.756129606381045,-18.22304229482997,12.756129606381158,7.289216917932049,0.0,0.0,2.314814814814813,-0.8611111111111109,-0.018518518518518365,0.2939814814814824,-1.5925925925925948,0.5671296296296298,0.45370370370370366,0.0,0.0,0.0013418078929533313,-1.293683443531448E-4,-9.701746333567553E-5,-1.2475372829319354E-4,-2.609243958907181E-4,2.2966367679815342E-4,6.118083357336806E-4,0.0,0.0,26.903557555555576,2.7533531010703882E-14,-1.6814723472222113,-4.094019628019315,-5.604907824074054,5.538967732026122,13.451778777777749,0.0,0.0,50.028314097605005,0.0,-3.126769631100314,-7.613004319200772,-10.422565437001088,10.29994702009516,25.01415704880252,0.0,0.0,0.005270222222222219,1.222980050563649E-16,-3.293888888888273E-4,-8.01990338164227E-4,-0.0010979629629629811,0.0010850457516338994,0.002635111111110987,0.0,0.0,0.22364984107755545,5.111651842544992E-16,-0.013978115067346973,-0.034033671468323604,-0.04659371689115751,0.04604555551596697,0.11182492053877728,0.0,0.0,1.214869486321999,-4.736951571734001E-15,-0.07592934289512733,-0.18487144357073979,-0.25309780965041623,0.2501201883604149,0.6074347431610041,0.0,0.0,0.09645061728395055,-0.03587962962962962,-3.8580246913579925E-4,0.00426060118089105,-0.02211934156378604,0.01112018881626725,0.037808641975308636,0.0,0.0,-0.09641346204068298,-0.07230354199373445,-0.09297435866069431,-0.19445734166641482,0.1711598791483195,0.45595821797342756,0.0,0.0,1.0234159907606054E-15,-0.06249999999999955,-0.15217391304347783,-0.20833333333333243,0.2058823529411755,0.49999999999999856,0.0,0.0,0.0,-0.06250000000000003,-0.15217391304347846,-0.20833333333333426,0.2058823529411767,0.5000000000000003,0.0,0.0,2.3205474057751832E-14,-0.06249999999998836,-0.15217391304347377,-0.20833333333333692,0.20588235294116,0.4999999999999768,0.0,0.0,2.2855602391295306E-15,-0.06249999999999892,-0.15217391304347802,-0.2083333333333339,0.20588235294117502,0.499999999999998,0.0,0.0,-3.899144414331335E-15,-0.06250000000000197,-0.1521739130434789,-0.20833333333333312,0.20588235294117918,0.5000000000000038,0.0,0.0,-0.3720000000000002,-0.00399999999999997,0.04417391304347844,-0.22933333333333383,0.11529411764705892,0.39200000000000024,0.0,0.0,1.534347479689159,1.1719367942969938,1.1244886571893808,1.134752217217567,0.4624694733606464,0.003739519506628622,0.0,0.0,1.4374999999999996,1.2578125,1.1875,1.078125,0.42279411764705865,0.0,0.0,0.0,1.4375000000000007,1.2578125000000002,1.1875,1.078125,0.4227941176470591,0.0,0.0,0.0,1.437499999999999,1.257812499999999,1.187499999999999,1.0781249999999991,0.4227941176470586,0.0,0.0,0.0,1.4375000000000009,1.2578125000000009,1.1875000000000002,1.0781250000000004,0.4227941176470591,0.0,0.0,0.0,1.4374999999999998,1.2578124999999998,1.1874999999999991,1.0781249999999993,0.42279411764705865,0.0,0.0,0.0,1.8975000000000015,0.8625000000000005,0.9440000000000004,1.3416666666666677,0.5357647058823534,0.0,0.0,0.0,30.613247725836146,15.30662386291808,21.306623862918077,30.613247725836157,3.8266559657295196,15.306624736322831,1.4210854715202004E-14,1.1102230246251565E-16,1.3877787807814457E-17,-29.38944045574168,30.834448182166064,3.854306022770758,2.7429060099648415,30.613247725836146,15.30662386291808,21.306623862918077,30.613247725836157,3.8266559657295196,15.306624736322831,1.4210854715202004E-14,1.1102230246251565E-16,1.3877787807814457E-17,-29.38944045574168,30.834448182166064,3.854306022770758,2.7429060099648415,30.613247725836146,15.30662386291808,21.306623862918077,30.613247725836157,3.8266559657295196,15.306624736322831,1.4210854715202004E-14,1.1102230246251565E-16,1.3877787807814457E-17,-29.38944045574168,30.834448182166064,3.854306022770758,2.7429060099648415,30.613247725836146,15.30662386291808,21.306623862918077,30.613247725836157,3.8266559657295196,15.306624736322831,1.4210854715202004E-14,1.1102230246251565E-16,1.3877787807814457E-17,-29.38944045574168,30.834448182166064,3.854306022770758,2.7429060099648415,30.613247725836146,15.30662386291808,21.306623862918077,30.613247725836157,3.8266559657295196,15.306624736322831,1.4210854715202004E-14,1.1102230246251565E-16,1.3877787807814457E-17,-29.38944045574168,30.834448182166064,3.854306022770758,2.7429060099648415,30.613247725836146,15.30662386291808,21.306623862918077,30.613247725836157,3.8266559657295196,15.306624736322831,1.4210854715202004E-14,1.1102230246251565E-16,1.3877787807814457E-17,-29.38944045574168,30.834448182166064,3.854306022770758,2.7429060099648415,36.07402827211731,17.77957099812449,24.920579002320633,35.983750494339525,4.497968811792441,17.779571072106666,-0.18055555555555713,0.00852024436179838,0.0010650305452247974,-3.812248206071962,54.49313446105257,6.811641807631571,3.1984597764337708,0,11.89,12.110114161591724,-0.16199107779415672,0.05914341309620087,6.149298970867945,8.445488370294981,8.0,24.0,24.0,24.0,8.0,0.0,0.0,0.0,0.0,0.0,17.491311999999997,3.662568551633348,2.9738003164638376,2.902915107665197,2.396031083907632,1.9853934844108023,1.2949170888298556,1.278176966280552,0.792390288284519,2.0112122662411207,1.540223290008942,1.5043876753374588,1.2146858231676472,0.9445108005405424,0.5751555622568452,0.5378748072725328,0.2867580985011254,3.6857589731594658,3.0120079319734314,2.9436261073932566,2.4579980095198257,2.0604521998295398,1.398197763915954,1.387750199849615,0.9279781281865834,1.9593967532821102,1.4588463273973398,1.4184642692360767,1.1088356182781298,0.824247442477011,0.42409904066544135,0.39120631422105656,0.12136233312699417,3.7881427238880345,3.181205256135916,3.1238673085019357,2.7200803368965394,2.373479568914285,1.8300415840020687,1.8187119672717367,1.4533060248760492,1.8086806434152543,1.2150270913454835,1.159854549726399,0.7700461675564051,0.4322973128148436,0.08967621324724916,0.10438350050948132,0.45435869503608095,3.7028623229945508,3.0402519517621505,2.9737246605971297,2.503161462843432,2.114921857125853,1.4726383748705105,1.4664857821780466,1.023904459314883,1.9265610944660403,1.4065574345145824,1.363143968329491,1.0390814118246248,0.7444625688004475,0.32229847407500795,0.29258628511649293,0.00904167048802104,3.8383132532583533,3.26364020391837,3.211539391710197,2.840509363674992,2.514780483719325,2.0214333595629133,2.0023112174253566,1.6722227813757118,1.7621272378135853,1.1382551457265722,1.0781396839541035,0.6554807654818277,0.29702454595413286,0.27565323843902517,0.282281325018827,0.6695013445238621,3.697560489289011,3.1119261410791976,3.078965348407364,2.635037068632988,2.2409012496047978,1.5960681390091136,1.5854670239540714,1.1751056394629538,1.9168634356119818,1.3133669897108526,1.2538258646514016,0.8701025840679103,0.5877424365641848,0.1565046318830092,0.1408875441517166,0.17089396614892907,0,0,0,0,0,2,4,2,0,0.0,0.0,0.0,0.08333333333333333,0.16666666666666666,0.0,0.0,0.0,0.08333333333333333,0.16666666666666666,0.47140452079103173,0.0,0.16666666666666666,0.0,0.47140452079103173,0.0,0.16666666666666666,0.0,1.1380711874576983,1.040440114519881,1.1380711874576983,1.1380711874576983,1.040440114519881,1.1380711874576983,5.983127663125442,3.804530452640311,3.2390248187615978,2.5403364137778537,1.5016612791830408,1.0243773949903288,0.3333333333333333,0.08333333333333333,0.7478909578906803,0.4755663065800389,0.3239024818761598,0.2309396739798049,0.15016612791830408,0.10243773949903287,0.08333333333333333,0.08333333333333333,5.983127663125442,3.804530452640311,3.2390248187615978,2.5403364137778537,1.5016612791830408,1.0243773949903288,0.3333333333333333,0.08333333333333333,0.7478909578906803,0.4755663065800389,0.3239024818761598,0.2309396739798049,0.15016612791830408,0.10243773949903287,0.08333333333333333,0.08333333333333333,12.334622430286998,23.102694828841948,21.80392156862746,22.080000000000002,14.388435928143707,184.2260407185629,0.5139426012619582,0.9626122845350812,0.9084967320261441,0.92,0.5995181636726544,7.676085029940121,2.832600000000001,36.79599999999999,31.153782979194702,42.7235873442273,62.30756595838941,7.788445744798676,31.15378297919476,3.3306690738754696E-16,4.163336342344337E-17,-28.510550624807195,41.24325189388095,5.155406486735119,2.9755900071575536,54,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,4.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.757592592592593,0.0,5.90212962962963,0.0,0.0,0.0,2.006944444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3787962962962963,0.0,1.4733796296296298,0.0,0.0,0.0,1.003472222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3787962962962963,0.0,1.477685185185185,0.0,0.0,0.0,1.003472222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.666666666666666,1.5833333333333333,0.2,2.3787962962962963,0.2,1.003472222222222,5.7530578703703705,0.32986111111111116,0.3787962962962963,1.5151851851851852,0.32986111111111116,0.3787962962962963,1.5151851851851852,4.0,0.5,0.0,0.0,0.43333,0.7,0.43333,0.43333,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.25,0.25,0.0,4.0,0.5,4.0,0.5,0.0,0.0,-4.0,-0.5,0.0,0.0,8.47399,1.05925,8.47399,0.0,0.0,3.80452,0.47556,3.80452,0.0,0.0,0.10948,0.01369,0.19548,0.02444,0.25,8.0,0,0,0,0,0,0,1.0,0.9182958340544896,1.4182958340544896,2.5220552088742005,2.688721875540867,2.2841591278514217,2.2841591278514217,22.03910001730775,34.039100017307746,60.52932501298081,64.5293250129808,54.81981906843412,54.81981906843412,0.20028426271971758,0.30933640871248336,0.5500710656799294,0.5864217810108512,0.4981849093623235,0.4981849093623235,3.6666666666666674,3.1666666666666674,2.0629072918469564,1.89624062518029,2.3008033728697352,2.3008033728697352,0.20028426271971758,0.30933640871248336,0.5500710656799294,0.5864217810108512,0.4981849093623235,0.4981849093623235,6.732876570223358,12.732876570223358,15.677302058804667,14.013243736138,13.605515272001876,13.605515272001876,31.599000019230836,23.74937501201927,22.16391042159457,24.55388542207534,25.09322044590204,25.09322044590204,6.125,2.52,1.487603305785124,0,0,0,2.34,1.1272000000000009,0.33333333333333337,2.746356191876157,2.8284271247461903,0.0,3.965406456500188,4.298279727294167,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.10699999999999998,0.10400000000000001,0.199,0.218,3.666,10.0,11.0,10.0,10.0,4.0,1.0,0.0,0.0,0.0,62.0,2.1972245773362196,2.3978952727983707,2.4849066497880004,2.3978952727983707,2.3978952727983707,1.6094379124341003,0.6931471805599453,0.0,0.0,0.0,4.143134726391533,1.0,0.25,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.25,0,3.0,4.0,0.3333333333333333,1.5,1.1111111111111116,0.375,0.2222222222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.1875,0.11111111111111116,0.046875,0.1111111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.45659722222222227,15.30662386291808,21.306623862918077,30.613247725836157,3.8266559657295196,15.306624736322831,1.1102230246251565E-16,1.3877787807814457E-17,-29.38944045574168,30.834448182166064,3.854306022770758,2.7429060099648415,0.0,134.5678770069335,4.0,3.6109179126442243,4.3694478524670215,5.153291594497779,5.932245187448011,6.717804695023691,7.501634457883413,8.287276755814599,9.072341873818893,9.857914707241372,76.50287503683901,2.833213344056216,0.0,4.04305126783455,0.0,5.476463551931511,0.0,7.00033446027523,0.0,8.555836815008442,8.796490207333578,112.12520051199999,4.671883354666666,15.533409733352133,1.9416762166690167,0.0,0.0,0.0,60.0,8.0,4.43,36.0,1.2241661269968425,2.094734877605809,2.813258484519025,3.4782951356706535,4.058328429105731,4.653242784412011,0.0,0.0,0.0,0.0,78.54273178317382,86.40971975379347,71.40249226847165,38.36442902088078,13.273448836849287,4.7279924765008055,0.0,0.0,0.0,0.0,289.3400735811014,361.03601307661137,361.10536925593186,299.15001423316016,195.16040061029986,144.64020948573324,0.0,0.0,0.0,0.0,8.917064339277722,14.966677223080927,19.835054396974876,24.17091152777979,27.595041027081223,31.26264413033186,0.0,0.0,0.0,0.0,2.1709629896014935,2.90569307962253,3.15837761321264,2.9913870219436327,2.356243505770091,2.068891791345073,0.0,0.0,0.0,0.0,174.75287400394564,319.8335649744123,448.4042663116291,580.0735825910125,724.2260830323088,860.4667299922477,0.0,0.0,0.0,0.0,2.3186536181047677,3.3431806474192562,4.26869158771882,4.893029906748429,4.639201404699693,4.653242784412011,0.0,0.0,0.0,0.0,0.4492984464357241,0.6097014211531555,0.6726422150048134,0.6510888631438633,0.5290907545506109,0.4764920611237899,0.0,0.0,0.0,0.0,317.4513926605535,130.46242131371042,8.154139269563492,75.28807159373851,-30.9410018139751,-4.0338981644988765,242.163321066815,161.40342312768553,12.18803743406237,0.8083002131280834,0.3321856680774975,0.02076221009530081,0.19169978687191666,-0.07878251265816602,-0.010271181105158806,124.67568988028465,51.237741452064355,3.20245228818325,29.56859690246364,-12.151752475911657,-1.5842710039816608,0.07269083139636388,0.15107569157258013,1.2784157142885864,1.140270424379947,392.739464254292,0.0,1.0,0.0,558.7220360649212,23.637301793244532,8.236295759706948,713.7146133735233,26.71543773501612,8.936652339834113,966.0575165132158,31.081465803806868,9.885553586954813,1.4272387019495398,1.212074075772659,326.3356429585052,224.32183676222758,175.44360207468543,1.4547653838284513,1.8600600939530747,1.2785979888097312,3.622823825059397,3.779648656455895,5.904977379424101,0.5623085413873062,5.121077983363892,6.009330933108893,10.72828859168654,10.221260992485847,16.128180026853574,11.389791819399862,12.028228714764712,8.943262442517263,5.188149985638553,0.35071389160852406,0.405380356202879,4.204559737593977E-16,8.411131199276033E-53,3.245369812516391E-111,2.4151821033893575E-191,3.466661812350141E-293,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3797537011069824,5.574159458825856,0.8004682497880423,4.39266752784622,0.9017397681995974,2.372388958526554,0.9459267769233585,0.2743458388608275,0.11484255446749336,0.0024701066552438515,0.002855126994777323,2.9613058018900536E-18,5.9240284775042604E-55,2.2857404948141296E-113,1.701032503222478E-193,2.441598259697388E-295,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2578456350073166,5.603239222976407,2.6013087574432174,4.903829959423431,3.1867095086926724,3.98802206126823,1.9867907885229723,1.1994036910353623,0.5819538112671283,0.025740415492493215,0.02975262460006346,3.0859089634468704E-17,6.173294418555847E-54,2.3819178271148E-112,1.7726070186531866E-192,2.5443336348199914E-294,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.7990798672961255,5.9615531800939054,10.040690842274902,9.624380345600532,14.904852892400012,10.758151416534908,10.917733232507445,8.113818137788847,4.6764637945735705,0.312479763358589,0.3611865990943086,3.7461870292264593E-16,7.494166468397237E-53,2.8915660747988765E-111,2.151883772286363E-191,3.0887332626108323E-293,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.887265995155996,5.640941990772709,3.904526282354025,5.4562107263319275,4.999656518687722,5.163913979659721,3.0639316691208776,2.0851624352387477,1.0713982744578454,0.055911621955139504,0.06462667637422795,6.703006628214734E-17,1.3409220393618165E-53,5.173843808140009E-112,3.850339312012837E-192,5.5266326455523515E-294,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.349327782026878,6.210229772813273,13.36478738542257,12.703809575830295,20.988217548143304,13.818853407889632,16.630448181670296,12.353517566825472,7.311029794814225,0.5114832501360219,0.5912091512384136,6.131955226143463E-16,1.2266844362804395E-52,4.73306686659564E-111,3.5223161151805405E-191,5.055800450982958E-293,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.2296835264797825,5.311696161958719,6.495073182231028,6.808552652474403,8.46237851934535,8.079323976241266,6.213556558678854,4.427633726482616,2.445582444228034,0.13989695420316606,0.16170296757123154,1.6771651030845786E-16,3.3551326667472273E-53,1.2945519473749596E-111,9.633967393021261E-192,1.3828235484166772E-293,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3232793841955197,1.8339609523933906,0.7912708713755328,0.46949057737937194,0.37060862859958754,0.49136359302235844,0.5557625830262496,0.463984780897545,4.948511207964443,7.550306855765365,15.870267898124428,0.2601488089684393,1.5111109569461532,1.6805972314494593,1.2376151030447584,0.32995614446615007,0.5173984177038019,0.38101936862612446,0.2589239284393368,0.25737603638696815,0.08134778541986551,3.248168478960368,3.0428146064003334,6.97726959901628,0.3476266794948896,0.5976477502461705,1.9356280750837105,1.4743698201476525,0.5134915245464304,0.493343518482926,0.3757802462052143,0.34236601131938604,0.36263780474860013,0.19655534193999455,3.9234894197777934,4.6048366348563885,9.993744402412384,0.30368564703221046,0.9015591580079807,2.3073478229010895,1.8191879274716887,0.7798797623926368,0.470271589696771,0.37077738783813996,0.48471287598750634,0.547042830175269,0.45084973116223387,4.906415512765415,7.41570102440519,15.595661296939197,0.2615734663023665,1.4826054373250093,2.0494057831189956,1.5799423309999443,0.5951596447957531,0.4851229776520763,0.37399442045428816,0.3833242153399406,0.41519353134923026,0.2636564350019696,4.224507758914693,5.397984484584956,11.549585219577333,0.28867609715954673,1.0621741816911405,2.3731626017117238,1.8802141491802744,0.8269248396890276,0.467130259768753,0.37009892339191564,0.5124801007569715,0.5834975436303425,0.5062815980263673,5.080301590581026,7.979276789912258,16.7493615881247,0.255843774741003,1.6022592424136812,2.314639418102673,1.8239647666047347,0.7816381100388052,0.47043199896359217,0.3707062899224184,0.4878035409136806,0.5498762747503213,0.45260614270148325,4.920242294746213,7.45671149914715,15.676889782730179,0.2617074333290159,1.4902859583654853 +UMLCN0465,L,"1,3,5-triethylbenzene",CCC1=CC(=CC(=C1)CC)CC,Aromatics,,C12H18,NREL (2014),IQT,PubChem,,7.6,0,1.7373000000000012,3.018211290000004,58.346999999999994,33.122273999999976,6,6,30,12,18,0,12,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1749.4586039999979,1949.0970359999992,2503.045959000001,2581.7848710000017,2218.586843999998,1788.8426729999971,959.5792109999995,263.6504640000003,27.433728000000002,5641.710220748698,7147.461915661289,9823.647101415125,10698.56926622382,10023.187025906143,8845.887553950943,6648.995992566508,3464.027594061206,839.2610996351166,211.4185440000001,218.60356800000005,385.905372,468.921948,468.85080000000016,466.3846440000001,442.49444400000004,430.4482559999998,181.39852800000006,41.46983228728203,53.51059758000001,77.23455122818791,86.58349451728188,83.56422166273491,76.53136037728194,63.13859330728209,40.05137829820501,12.004548430923007,4850.0500095164825,4277.7381319122005,8255.235953889289,10283.477152312185,10267.07641424684,10441.446302049586,10140.047808648285,11077.500199923406,4992.776604654723,57.083333333333336,69.5,105.83333333333336,127.00000000000001,123.75000000000001,112.49999999999999,105.0,81.0,27.0,58.31528679999993,64.96990119999997,46.35270294444446,39.11795259090911,33.614952181818154,27.10367686363632,15.23141604761904,4.184928000000005,1.016064,188.05700735828992,238.24873052204296,181.91939076694675,162.09953433672453,151.86647008948702,134.028599302287,105.53961892962711,54.98456498509851,31.083744430930242,7.0472848000000035,7.286785600000002,7.146395777777777,7.104877999999999,7.103800000000002,7.066434000000001,7.023721333333334,6.832511999999997,6.718464000000002,1.382327742909401,1.7836865860000004,1.430269467188665,1.3118711290497254,1.2661245706474986,1.1595660663224536,1.0021998937663825,0.6357361634635715,0.4446129048490003,161.6683336505494,142.59127106374,152.87473988683868,155.81025988351797,155.56176385222486,158.20373184923616,160.95313981981406,175.83333650672074,184.917652024249,1.902777777777778,2.316666666666667,1.959876543209877,1.9242424242424245,1.8750000000000002,1.7045454545454544,1.6666666666666667,1.2857142857142858,1.0,0.05222151159741128,-0.003304550187514275,-0.0017614434070347459,-0.012793710888969849,-0.012438976673594029,3.7614641432974494E-4,-0.02423856532818021,0.013408089059794055,0.014642255212463637,871.6752648000005,-9.450218385609332E-13,101.69544755999927,43.58376323999953,-319.6142637600004,-392.25386915999974,-740.9239750799991,348.67010592000145,523.0051588800009,1620.9173767624015,4.689582056016661E-13,189.10702728894768,81.0458688381209,-594.3363714795482,-729.4128195430825,-1377.7797702480457,648.3669507049605,972.5504260574415,0.1707551999999997,2.7287200277115176E-15,0.01992144000000208,0.00853776000000158,-0.0626102399999983,-0.07683983999999931,-0.1451419200000006,0.0683020799999951,0.10245311999999666,7.2462548509127975,1.6930901125533637E-14,0.8453963992731734,0.36231274254564927,-2.6569601120013484,-3.2608146829107536,-6.159316623275878,2.8985019403650885,4.347752910547658,39.36177135683278,-3.446132268436486E-13,4.59220665829689,1.9680885678414388,-14.432649497505519,-17.71279711057479,-33.45750565330777,15.744708542733726,23.617062814100077,5.074999999999998,-0.9416666666666658,1.2900000000000005,0.4683333333333336,-3.440000000000002,-0.20666666666666747,-3.032500000000004,0.6175000000000007,2.7075,0.0017407170532470425,-1.101516729171425E-4,-3.26193223524953E-5,-1.9384410437833105E-4,-1.8846934353930348E-4,5.699188095905226E-6,-3.8473913219333667E-4,2.128268104729215E-4,5.423057486097643E-4,29.055842160000015,-3.150072795203111E-14,1.8832490288888752,0.660360049090902,-4.842640360000006,-5.943240441818178,-11.760698017142843,5.534446125714308,19.37056144000003,54.03057922541338,1.5631940186722205E-14,3.5019819868323645,1.2279677096684984,-9.005096537568912,-11.051709387016402,-21.869520162667392,10.291538900078738,36.02038615027561,0.00569183999999999,9.095733425705058E-17,3.689155555555941E-4,1.2936000000002396E-4,-9.486399999999744E-4,-0.0011642399999999896,-0.0023038400000000092,0.0010841599999999222,0.0037945599999998766,0.24154182836375993,5.643633708511212E-16,0.015655488875429138,0.005489587008267413,-0.040256971393959826,-0.04940628307440536,-0.09776693052818854,0.04600796730738236,0.16102788557583916,1.3120590452277594,-1.1487107561454953E-14,0.085040864042535,0.029819523755173317,-0.21867650753796242,-0.26837571379658776,-0.5310715183064726,0.24991600861482105,0.8747060301518547,0.1691666666666666,-0.03138888888888886,0.023888888888888897,0.0070959595959596,-0.05212121212121215,-0.0031313131313131437,-0.048134920634920704,0.009801587301587313,0.10027777777777779,-0.06327948170075735,-0.018739014644366767,-0.11135876678909096,-0.10827109620586678,0.0032740462243845193,-0.22102336015819712,0.12226387400291477,0.311541584313301,-1.0841443789021152E-15,0.06481481481481431,0.02272727272727247,-0.1666666666666668,-0.2045454545454543,-0.40476190476190405,0.19047619047619116,0.6666666666666674,2.8931653909365633E-16,0.0648148148148151,0.022727272727272957,-0.16666666666666693,-0.20454545454545506,-0.40476190476190604,0.19047619047619044,0.6666666666666671,1.598030412960497E-14,0.0648148148148217,0.022727272727276978,-0.16666666666666247,-0.2045454545454531,-0.4047619047619071,0.19047619047617714,0.6666666666666462,2.336503680021809E-15,0.06481481481481587,0.022727272727273318,-0.166666666666666,-0.20454545454545423,-0.40476190476190477,0.19047619047618847,0.6666666666666634,-8.755023337734709E-15,0.06481481481481104,0.022727272727270414,-0.16666666666666857,-0.204545454545455,-0.40476190476190366,0.1904761904761979,0.6666666666666782,-0.18555008210180615,0.14121510673234822,0.04194655918793854,-0.30810568741603256,-0.01851022540677721,-0.28454140276800427,0.05794041754632896,0.5927750410509034,1.2282638713742744,0.9767329395898156,1.1450981424963158,1.3757265349956223,1.0033931030960426,1.1535465037756556,0.6370905057817298,0.0,1.2083333333333335,1.0069444444444446,1.0069444444444449,1.190025252525253,1.190025252525253,1.342592592592593,0.5753968253968255,0.0,1.2083333333333341,1.0069444444444449,1.0069444444444449,1.190025252525253,1.190025252525253,1.342592592592593,0.5753968253968258,0.0,1.2083333333333337,1.0069444444444446,1.0069444444444446,1.1900252525252528,1.1900252525252528,1.3425925925925928,0.5753968253968256,0.0,1.2083333333333341,1.006944444444445,1.0069444444444449,1.1900252525252524,1.1900252525252524,1.3425925925925921,0.5753968253968257,0.0,1.208333333333333,1.006944444444444,1.0069444444444438,1.1900252525252515,1.1900252525252515,1.3425925925925912,0.5753968253968252,0.0,1.4285714285714288,0.8156966490299828,1.0389610389610393,1.3888888888888893,0.8333333333333338,1.2925170068027216,0.8163265306122452,0.0,57.53742744785511,28.76871372392756,37.697148229069555,57.53742744785512,4.794785620654594,28.768713723929277,1.4210854715202004E-14,7.681572392059799E-16,6.401310326716499E-17,-41.76304466778213,10097.571455198176,841.4642879331814,11.064060268723491,57.53742744785511,28.76871372392756,37.697148229069555,57.53742744785512,4.794785620654594,28.768713723929277,1.4210854715202004E-14,7.681572392059799E-16,6.401310326716499E-17,-41.76304466778213,10097.571455198176,841.4642879331814,11.064060268723491,57.53742744785511,28.76871372392756,37.697148229069555,57.53742744785512,4.794785620654594,28.768713723929277,1.4210854715202004E-14,7.681572392059799E-16,6.401310326716499E-17,-41.76304466778213,10097.571455198176,841.4642879331814,11.064060268723491,57.53742744785511,28.76871372392756,37.697148229069555,57.53742744785512,4.794785620654594,28.768713723929277,1.4210854715202004E-14,7.681572392059799E-16,6.401310326716499E-17,-41.76304466778213,10097.571455198176,841.4642879331814,11.064060268723491,57.53742744785511,28.76871372392756,37.697148229069555,57.53742744785512,4.794785620654594,28.768713723929277,1.4210854715202004E-14,7.681572392059799E-16,6.401310326716499E-17,-41.76304466778213,10097.571455198176,841.4642879331814,11.064060268723491,57.53742744785511,28.76871372392756,37.697148229069555,57.53742744785512,4.794785620654594,28.768713723929277,1.4210854715202004E-14,7.681572392059799E-16,6.401310326716499E-17,-41.76304466778213,10097.571455198176,841.4642879331814,11.064060268723491,64.16908103465401,31.95457492076106,41.77843859713341,64.07741436798734,5.339784530665613,31.95457492076113,-0.1833333333333229,1.1102230246251565E-16,9.25185853854297E-18,-44.08416068361253,77.10529115251518,6.425440929376265,5.214206286425789,0,11.889999999999995,12.11019763308084,-0.15695735287256277,0.06537359213304164,5.676503515300433,9.074771302870332,12.0,30.0,27.0,24.0,6.0,3.0,0.0,0.0,0.0,6.0,19.677725999999996,3.857317085424249,3.18711310268765,3.1871131026876474,2.791156038169052,2.408211273775642,2.408211273775639,1.6081667664748285,1.6081667664748276,2.030010082915714,1.6757442722383857,1.675744272238384,1.4346840393659743,1.0107268915108356,1.0107268915108343,0.7496073335103073,0.68620045912714,3.867146597163699,3.2174401425404002,3.2174401425403985,2.838204595364892,2.4472400484916736,2.4472400484916697,1.6963711431812465,1.6963711431812458,2.0001279162744394,1.6016068120882239,1.6016068120882223,1.3490978227726225,0.9187336803666611,0.918733680366659,0.6122781409315818,0.5580415288778372,3.9128108630205327,3.3572040103863787,3.35720401038637,3.0401349660988037,2.620868136547524,2.6208681365475237,2.0812141319957527,2.058906935350564,1.9224849157912294,1.386096379110692,1.3860963791106886,1.0792349985723249,0.6560296199756556,0.6560296199756547,0.15208299673947848,0.12571752695943803,3.874506921044896,3.2401681729004546,3.2401681729004514,2.872645630044062,2.4760881117163964,2.476088111716393,1.7637336158883343,1.7601550490466107,1.9821046540343326,1.5544728878844687,1.5544728878844674,1.292949207792576,0.8607981020067402,0.8607981020067389,0.5202164833761835,0.4718938032828683,3.936789343648875,3.4281071753639343,3.4281071753639307,3.134706914901658,2.7070136024694906,2.70701360246949,2.2506393112769594,2.218589848760608,1.9008208180939743,1.3209417532559067,1.3209417532558996,0.98987674654743,0.5765115511981953,0.5765115511981945,0.01165264897994416,0.028624583108152305,3.884800991298835,3.2476912590001246,3.2476912590001223,2.9497604922055936,2.562476889281113,2.5624768892811094,1.8342337233983352,1.8342337233983335,1.9703373498177768,1.5244224197693574,1.524422419769353,1.196989284339336,0.7668511988924012,0.7668511988923997,0.4270360911096075,0.3643459090713703,0,0,0,3,3,3,3,0,0,0.0,0.0,0.0,0.06804138174397717,0.14433756729740643,0.0,0.0,0.0,0.024056261216234408,0.05103103630798288,0.6123724356957946,0.0,0.0,0.0,0.3535533905932738,0.0,0.0,0.0,1.3194792168823422,1.9112309264184784,2.5428020990810762,0.7071067811865476,0.8960658834735233,1.105417074112566,8.974691494688164,5.79555495773441,4.529927863931453,3.7320508075688776,2.7028886969679076,2.2307101433008207,1.1948143829493558,0.5773502691896258,0.7478909578906804,0.48296291314453416,0.30199519092876353,0.20733615597604876,0.12870898556990035,0.09294625597086753,0.06637857683051977,0.04811252243246882,8.35337115112852,4.914031322908341,3.21841774506363,2.337117307087384,1.4517697445325843,1.1076803550795367,0.5578451188587122,0.2270620726159658,0.6961142625940434,0.4095026102423618,0.214561183004242,0.12983985039374357,0.06913189259678973,0.04615334812831403,0.03099139549215068,0.018921839384663817,16.876450234072866,28.99053168244719,27.52941176470589,27.83999999999999,19.186990419161685,227.4823796407186,0.5625483411357622,0.966351056081573,0.9176470588235297,0.9279999999999996,0.6395663473053895,7.582745988023953,3.373800000000003,54.57600000000004,55.712599026806885,72.41281525161801,111.42519805361377,9.28543317113448,55.712599026806885,8.326672684688674E-16,6.938893903907228E-17,-41.66627705896181,67.75331828827196,5.646109857355996,5.059048124382103,114,0.0,0.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,6.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,3.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.389722222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.03875,0.0,1.9358333333333335,0.0,0.0,1.03875,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.649444444444444,0.0,3.4608333333333334,0.0,0.0,6.9558333333333335,0.0,0.0,0.0,0.0,4.433888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4779629629629631,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.34625,0.0,0.28597222222222224,0.0,0.0,0.34625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2164814814814813,0.0,1.1536111111111111,0.0,0.0,2.318611111111111,0.0,0.0,0.0,0.0,1.4779629629629631,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.318611111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.34625,0.0,0.35930555555555554,0.0,0.0,0.34625,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2164814814814813,0.0,1.1536111111111111,0.0,0.0,2.318611111111111,0.0,0.0,0.0,0.0,1.4779629629629631,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.5,1.7916666666666667,0.35930555555555554,2.318611111111111,0.10847222222222219,1.1536111111111111,7.507253611111111,0.34638888888888897,0.31861111111111107,3.2105555555555547,0.34638888888888897,0.31861111111111107,3.2105555555555547,6.0,0.5,0.0,0.0,0.46,0.7,0.43333,0.43333,0.7,0.02667,0.02667,-0.0,0.0,0.71429,0.0,0.0,0.25,0.25,0.0,12.0,1.0,6.0,0.5,6.0,0.5,0.0,0.0,0.0,0.0,10.00351,0.83363,15.43932,5.43581,0.45298,3.84895,0.32075,5.79554,1.94659,0.16222,0.11846,0.00987,0.20446,0.01704,0.2,12.0,0,0,0,0,0,0,0.5,0.9709505944546688,2.1609640474436813,2.6464393446710157,2.6464393446710157,2.6464393446710153,2.6464393446710157,29.128517833640064,64.82892142331043,79.39318034013047,79.39318034013047,79.39318034013046,79.39318034013047,0.1978749221194442,0.4403937698096759,0.5393312308693979,0.5393312308693979,0.5393312308693978,0.5393312308693979,3.93594000115385,2.7459265481648374,2.260451250937503,2.260451250937503,2.2604512509375034,2.260451250937503,0.19248111299006795,0.42838921708173605,0.52462977357677,0.52462977357677,0.52462977357677,0.52462977357677,6.790894279573414,16.783959600312496,17.273233757275843,17.273233757275843,17.273233757275847,17.273233757275843,46.03075754975106,32.41446071165522,32.39058152976881,32.39058152976881,32.39058152976881,32.39058152976881,10.083333333333334,4.888888888888889,2.7777777777777777,2,6,2,2.7800000000000002,1.5618000000000003,0.5000000000000001,5.581450592690042,2.834822362263465,0.0,5.683937124413993,10.392304845413266,0.0,1.5000000000000004,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.125,0.1,0.5050000000000001,0.68,5.869,15.0,18.0,21.0,24.0,18.0,12.0,3.0,0.0,0.0,135.0,2.772588722239781,3.2771447329921766,3.7784916128036232,4.2749284991175145,4.706710915543052,4.593856426087818,4.342993403944672,2.7842393394597567,0.0,0.0,6.143783192641912,3.4430555555555555,0.3333333333333333,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.25,6.0,0.5,0,4.0,6.0,0.5,3.0,0.666666666666667,0.9375,0.6933333333333336,0.3541666666666667,0.0,0.0,0.0,0.0,0.0,0.25,0.04444444444444447,0.0625,0.057777777777777796,0.03935185185185185,0.0,0.0,0.0,0.0,0.0,0.45407407407407413,34.31545145137686,45.60695407350603,68.63090290275372,5.719241908562809,34.315451451376866,7.412148152197151E-16,6.17679012683096E-17,-41.8058894298329,13603.896941341856,1133.6580784451546,11.421733884580805,0.0,184.94243940800024,4.584962500721156,4.007333185232471,4.795790545596741,5.6240175061873385,6.437751649736401,7.273092595999522,8.09101504171053,8.92757950384347,9.746190260646909,10.582966750330653,89.48573703928405,3.2188758248682006,0.0,4.442651256490317,0.0,5.8888779583328805,0.0,7.4342573821331355,0.0,9.031811613420924,9.262648151599528,162.140850576,5.4046950192,23.439984559054242,1.9533320465878534,0.0,0.0,0.0,198.0,15.0,4.6499999999999995,54.0,1.2382101246987005,2.149469869738783,2.9710211864392866,3.7834492953572414,4.652806872704583,5.747035615708404,6.240425925218574,6.720283518667953,0.0,0.0,90.53341705515841,110.11317262909216,127.64859005861771,145.52037763431147,141.46465298034306,90.50023817917057,26.84598720345968,6.828238153111834,0.0,0.0,318.56997749352956,419.6653058525718,512.8574942112392,624.1483198044967,675.1286727877141,613.4912879191347,348.634968275467,208.89157539766745,0.0,0.0,9.05484878225255,15.420635939102167,21.1739990755116,26.977870808485473,33.02639968631318,40.37521655388473,42.66406699597029,45.14998288996396,0.0,0.0,2.3364521138182055,3.2451448305588206,4.084148616344734,5.08429120949335,5.733018404892389,5.79748505412955,4.011308146176949,2.9879247766438173,0.0,0.0,174.54842800111552,324.38536552093467,458.3051322738252,581.4637336552081,725.0183578321349,924.4003365744134,1095.1814617935909,1242.6990492093362,0.0,0.0,2.9517504156623358,4.372862111848571,5.8788874456442874,7.295305055573634,8.223103954061385,9.615032405399504,8.089246654141208,6.720283518667953,0.0,0.0,0.4815146951430193,0.6762213002360455,0.8559204025664141,1.069173376092655,1.2140985693057258,1.2488873436144763,0.8934173470421362,0.6881570323115985,0.0,0.0,378.79583251056846,220.75934635654232,11.288390396284385,81.04317481080375,-47.231349350689776,-4.370728507361896,297.7526576997647,267.9906957072321,15.65911890364628,0.8237575031250788,0.4800796427482239,0.02454857073139764,0.17624249687492105,-0.10271279425775363,-0.009504910278973532,174.1850995991326,101.51375868550741,5.190842234083523,37.26681305517244,-21.71881679987013,-2.0098314580965173,0.10689847141850482,0.10512327403473234,1.924957899708866,1.0083254876428625,459.83900732137226,0.0,1.0,0.0,855.3977639510949,29.24718386359779,9.492691568110528,1030.4013503040885,32.09986526925134,10.100327899376719,1576.5157540520286,39.70536177963914,11.638565051369241,1.2825821893981195,1.0656925668969994,1079.1939944699188,654.626469914248,528.2033237197841,1.6485645540903449,2.043141241274051,1.2393456090055435,5.282295713530195,5.224279517353699,8.621033031822416,0.6501860214763748,5.265304598400014,6.716714580380126,4.257751975213886,14.598867800096581,12.01744418692537,8.398376423426912,10.60980444665996,8.257672471369263,12.741484081002492,15.041208317338825,12.265452795992493,8.976521878872878,7.174955502877022,1.7734509947729915,1.1133266251607967,0.2311643193916799,5.792125681414803E-7,2.7999457642086324E-34,2.6105809584713497E-83,4.694621871366012E-154,1.6283208142724358E-246,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.44199013719003744,6.716405570272671,0.31164450725099446,8.123272358945018,2.7280826272340177,2.909381931451376,0.7823318409508163,2.0963691417690775,3.983787875838205,1.1232239243370672,1.235258710617413,0.13217662414283923,0.45166492007000414,0.013715900017872004,0.008181140417180596,0.0016281092026921085,4.079441476901281E-9,1.97202469556854E-36,1.8386535145410366E-85,3.3064605697127123E-156,1.146839663503657E-248,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4265314481383986,6.716426855526135,1.0354845243440218,9.012428460388907,3.6762863650672393,3.775105475032542,2.4488264066998857,3.1409099172117343,5.574148384994538,3.3773100865455112,2.831569429061654,0.835981843361688,1.1724005409895388,0.13330940380779935,0.08258511840453482,0.016966153170845173,4.251092545522252E-8,2.0550017766856362E-35,1.91601872308287E-84,3.445586843090558E-155,1.1950953511736386E-247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.970024743286231,6.7166808789799175,3.9872909327498087,14.049378901534366,11.113401759458192,7.972240662624687,9.888069016438239,7.80508972222334,12.135555898154127,13.981543705380819,11.358408743313056,8.045398163809471,6.532834894986553,1.580956626943262,0.9921880135873156,0.20596324680134667,5.160679703359933E-7,2.4947012669674313E-34,2.3259806342928334E-83,4.182823567562908E-154,1.450804529973817E-246,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.10238819294595,6.716453875589695,1.55661998906318,9.751269282012608,4.608665373341341,4.445022434315893,3.693627885317646,3.921231952435752,6.724455155615995,5.098923771560488,4.1219252909367645,1.6461844304922886,1.8606457784727524,0.2865505600000692,0.17854952180200762,0.03685275181690875,9.233941068035172E-8,4.46373846191851E-35,4.161848697656544E-84,7.484275045342935E-155,2.595906799310684E-247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.358592994992974,6.716856147643602,5.291942151036076,16.807163257757193,15.745476082678588,10.078471041881388,13.418435640660215,10.018984833605085,15.064202780485363,19.20040131475135,15.887001386335973,12.866505399687984,9.814183571189666,2.582414886138612,1.6225736238362094,0.33713143464643797,8.447270953261706E-7,4.083457753791428E-34,3.8072869814258895E-83,6.846664791439841E-154,2.37475287546509E-246,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0198932567602235,5.900838013550339,2.074796770545936,10.639945157911859,6.841651398638233,6.150569402723929,5.422606515143812,4.968500742328059,7.803903250820018,7.207486461869202,6.389076922251888,3.0505716903665885,3.1267764386677657,0.5574301020767113,0.3482004643446341,0.07201224876668881,1.8043614886397657E-7,8.722383776009585E-35,8.132475024767428E-84,1.4624673866451179E-154,5.072540773504181E-247,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.308434631639058,4.194994651301433,0.7057677793295758,0.5199659286877062,0.4109034849375955,0.48661067030925176,0.4799513089131018,0.4720923482279261,10.209197062270068,28.976069067545712,54.90190639127991,0.39630412043795266,1.4386543274502797,3.717872292030375,2.9399072448489014,0.32202090488175716,0.5326616889769329,0.4212021918648365,0.24057852771515756,0.23712006864818505,0.09912661527118281,6.979800441761034,13.074143877732201,23.573697113162982,0.4307958212626542,0.5768252116345254,4.294647546477685,3.3953182516896323,0.46162495979638773,0.5268477864007126,0.41652216757478566,0.31985282175125496,0.3154415632183755,0.20333656242795328,8.151590757963705,18.131575351544363,33.01444056956953,0.4150549309632474,0.8386309473975837,5.263018891745302,4.159186669122638,0.6948556665913213,0.520212221060861,0.4111062071892938,0.47839210377961894,0.47184948022061557,0.4577633738188401,10.117061227459262,28.436950939645012,53.764317946046894,0.39697764237523214,1.4080049578190745,4.573617615189665,3.6154544703015787,0.528939066300719,0.5246170870347614,0.4147109251584786,0.3622540357435769,0.35729817450907553,0.266538022039329,8.718011151791963,20.86722639505654,38.33161857255642,0.4089920182898601,0.9860902322919813,5.452938687104721,4.3089205758855424,0.7404753148228389,0.51921205201598,0.4102821657375524,0.5132275086196664,0.5061865765240817,0.5190961926614351,10.502334577813102,30.72469551892679,58.62544521061842,0.39424132663029854,1.5385102778051833,5.2675211731302305,4.159903563738624,0.6947371508017826,0.5203948752831515,0.41096987085393494,0.4790687711528581,0.47188347548463955,0.45722787593515046,10.122161887670636,28.46196230126362,53.807468707014195,0.3970471192056297,1.4081801225726482 +UMLCN0466,L,2-ethyladamantane,CCC1C2CC3CC(C2)CC1C3,Naphthenes,,C12H20,NREL (2014),IQT,PubChem,,42.7,0,-1.4551999999999996,2.117607039999999,47.1513,34.45585999999997,0,0,32,12,20,0,12,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1751.4907319999977,2261.8394540000004,3547.188813000005,3426.303906000007,2054.4395849999937,925.4614350000004,328.15960900000107,70.69608,6.0963840000000005,5703.877709610558,8223.968951900986,13992.5465241761,16128.433244870112,12113.814320073388,6883.490265918095,2981.5385865709086,884.5205261618953,186.50246658558157,224.85547200000013,247.91986400000002,517.7575560000005,807.0469200000014,836.7658920000025,581.5863480000002,348.25373199999996,102.77279999999998,40.310784,42.359058096980036,61.31548620000001,109.33727716364083,137.03251160546995,113.25015393699668,69.13080728335606,33.04672210426195,10.013850598490004,2.6676774290939997,5219.885313564981,4837.571939518,10758.08735005004,17935.91611939884,19822.89252944336,14182.294022714259,8991.135705566263,2614.7892588069903,1109.505912145494,46.38888888888889,59.22222222222223,111.99999999999996,162.88888888888886,158.49999999999997,110.08333333333334,59.0,18.5,6.0,54.73408537499993,66.52468982352943,49.26651129166674,30.055297421052693,17.120329874999946,11.01739803571429,6.434502137254923,4.7130719999999995,1.016064,178.24617842532993,241.8814397617937,194.34092394689026,141.4774846041238,100.94845266727823,81.94631268950113,58.46154091315507,58.96803507745969,31.083744430930263,7.026733500000004,7.2917607058823535,7.191077166666673,7.079358947368433,6.973049100000021,6.923647000000002,6.828504549019607,6.851519999999998,6.718464,1.3237205655306261,1.8033966529411767,1.518573293939456,1.2020395754865785,0.9437512828083057,0.8229858009923341,0.6479749432208226,0.6675900398993336,0.44461290484899996,163.12141604890564,142.28152763288236,149.4178798618061,157.33259753858633,165.19077107869467,168.83683360374118,176.29677854051496,174.31928392046603,184.917652024249,1.449652777777778,1.7418300653594774,1.555555555555555,1.4288499025341128,1.320833333333333,1.310515873015873,1.1568627450980393,1.2333333333333334,1.0,0.03986929393953656,5.092332599024468E-4,-0.004626709926727238,-0.02042005821610221,-0.006609524761494541,-0.0064732263791765915,0.013763447897469775,2.232908179371487E-4,0.003698900338422925,907.9950674999999,94.58281953124859,-45.399753375001836,-510.7472254687507,-317.7982736249985,-158.89913681249845,353.7397450468765,28.374845859375398,102.14944509375027,1688.455600794172,175.88079174939304,-84.42278003970821,-949.7562754467184,-590.9594602779589,-295.479730138979,657.794161142728,52.764237524817744,189.95125508934404,0.1778699999999999,0.0185281250000031,-0.008893499999995806,-0.10005187499999738,-0.06225450000000155,-0.031127250000002604,0.06929518749999665,0.005558437499999147,0.020010374999999365,7.548182136367507,0.7862689725383024,-0.3774091068183467,-4.245852451706695,-2.6418637477286326,-1.320931873864326,2.940645957293147,0.23588069176147808,0.8491704903413392,41.00184516336746,4.27102553785033,-2.05009225816897,-23.063537904394465,-14.350645807178253,-7.1753229035888655,15.973635511562396,1.2813076613553562,4.6127075808789275,2.0520833333333317,-0.392144097222224,-0.11718750000000147,-0.8973524305555587,0.47656250000000067,-0.9058159722222234,0.7711588541666684,-0.1494140624999999,0.188151041666667,0.0012459154356105175,1.49774488206602E-5,-6.425986009343386E-5,-1.7912331768510712E-4,-5.5079373012454514E-5,-7.706221879972133E-5,2.6987152740136816E-4,1.4886054529143246E-5,6.164833897371541E-4,28.374845859374997,2.7818476332720175,-0.6305521302083589,-4.480238819901322,-2.6483189468749875,-1.8916563906249817,6.936073432291696,1.8916563906250266,17.024907515625046,52.76423752481787,5.1729644632174425,-1.1725386116626142,-8.331195398655424,-4.924662168982991,-3.5176158349878452,12.897924728288784,3.5176158349878497,31.658542514890673,0.0055584374999999965,5.449448529412676E-4,-1.235208333332751E-4,-8.776480263157665E-4,-5.187875000000129E-4,-3.70562500000031E-4,0.001358729166666601,3.7056249999994315E-4,0.003335062499999894,0.2358806917614846,0.023125558015832423,-0.005241793150254815,-0.03724431975181312,-0.022015531231071937,-0.015725379450765787,0.057659724652806804,0.015725379450765204,0.14152841505688987,1.2813076613552332,0.12561839817206855,-0.02847350358568014,-0.20231173600346022,-0.11958871505981877,-0.0854205107570103,0.3132085394423999,0.08542051075702375,0.7687845968131546,0.06412760416666662,-0.011533649918300706,-0.0016276041666666871,-0.007871512548732971,0.0039713541666666725,-0.010783523478835993,0.015120761846405264,-0.009960937499999992,0.031358506944444496,0.012021240280501881,-0.051576421847559464,-0.14376843930610264,-0.04420795459963524,-0.06185188544675159,0.21660501161471446,0.011947885148279628,0.49480355738194054,0.09803921568627307,-0.022222222222223125,-0.1578947368421055,-0.09333333333333291,-0.06666666666666603,0.24444444444444552,0.06666666666666761,0.6000000000000016,0.09803921568627459,-0.022222222222222122,-0.1578947368421047,-0.09333333333333313,-0.06666666666666642,0.24444444444444388,0.06666666666666651,0.5999999999999991,0.09803921568629097,-0.02222222222221176,-0.15789473684210123,-0.09333333333333571,-0.06666666666667229,0.24444444444443278,0.06666666666665648,0.5999999999999813,0.09803921568627705,-0.022222222222220533,-0.15789473684210423,-0.0933333333333335,-0.06666666666666729,0.24444444444444213,0.06666666666666482,0.5999999999999962,0.09803921568626425,-0.022222222222228694,-0.1578947368421071,-0.09333333333333099,-0.06666666666666257,0.2444444444444519,0.06666666666667308,0.6000000000000114,-0.17985468298994822,-0.025380710659898817,-0.12274764746044521,0.061928934010152425,-0.16815727983240708,0.2357917786403909,-0.15532994923857868,0.48900169204737853,1.3064336427604724,1.1509800200492464,1.1499941556384583,0.9634946386072528,0.9998545926169063,0.5015912384631129,0.8257560876212022,0.006120678531083015,1.215686274509805,1.2055555555555568,1.1964912280701767,0.9988888888888899,0.9103174603174612,0.48627450980392184,0.6888888888888891,0.0,1.215686274509802,1.2055555555555535,1.1964912280701732,0.998888888888887,0.9103174603174589,0.48627450980392106,0.6888888888888881,0.0,1.215686274509803,1.2055555555555544,1.196491228070176,0.9988888888888889,0.9103174603174594,0.4862745098039212,0.6888888888888884,0.0,1.2156862745098032,1.2055555555555535,1.196491228070173,0.9988888888888867,0.9103174603174592,0.4862745098039213,0.6888888888888883,0.0,1.2156862745098043,1.2055555555555548,1.1964912280701743,0.998888888888888,0.9103174603174599,0.48627450980392145,0.6888888888888888,0.0,1.5797750572310152,0.9441624365482232,0.9717695253361838,0.8130287648054145,1.3762791072435754,0.5800736538270136,1.3847715736040622,0.0,57.06220687626511,28.531103438132554,40.02865116031432,57.06220687626511,4.755183906355425,28.53110343813534,-3.552713678800501E-15,0.15861854577655551,0.013218212148046292,-2.2095036508071138,104.85972048642851,8.73831004053571,5.5831481538632435,57.06220687626511,28.531103438132554,40.02865116031432,57.06220687626511,4.755183906355425,28.53110343813534,-3.552713678800501E-15,0.15861854577655551,0.013218212148046292,-2.2095036508071138,104.85972048642851,8.73831004053571,5.5831481538632435,57.06220687626511,28.531103438132554,40.02865116031432,57.06220687626511,4.755183906355425,28.53110343813534,-3.552713678800501E-15,0.15861854577655551,0.013218212148046292,-2.2095036508071138,104.85972048642851,8.73831004053571,5.5831481538632435,57.06220687626511,28.531103438132554,40.02865116031432,57.06220687626511,4.755183906355425,28.53110343813534,-3.552713678800501E-15,0.15861854577655551,0.013218212148046292,-2.2095036508071138,104.85972048642851,8.73831004053571,5.5831481538632435,57.06220687626511,28.531103438132554,40.02865116031432,57.06220687626511,4.755183906355425,28.53110343813534,-3.552713678800501E-15,0.15861854577655551,0.013218212148046292,-2.2095036508071138,104.85972048642851,8.73831004053571,5.5831481538632435,57.06220687626511,28.531103438132554,40.02865116031432,57.06220687626511,4.755183906355425,28.53110343813534,-3.552713678800501E-15,0.15861854577655551,0.013218212148046292,-2.2095036508071138,104.85972048642851,8.73831004053571,5.5831481538632435,62.78111167706932,30.977434272866475,43.59201931508932,62.732500565958205,5.227708380496516,30.977434272866724,-0.1458333333333499,0.12484289581134948,0.01040357465094579,-2.496838998800013,101.24727443695276,8.437272869746064,5.5410789437797385,0,11.899999999999993,12.100219251962377,-0.1421059260608125,0.05834343775019579,5.8615274566641205,9.951390941076085,14.0,34.0,34.0,34.0,14.0,0.0,0.0,0.0,0.0,0.0,21.864139999999995,3.8759488742751196,3.218643859068755,2.9485687516182524,2.948568751618246,2.713328522571034,2.028500883942045,2.0285008839420438,1.4817463787542469,2.1462087114134096,1.6958276266129488,1.4376860899769728,1.4376860899769717,1.3172967100382496,0.9445778134233511,0.944577813423351,0.6405102681228664,3.893785531415594,3.24925824341557,2.9799162387144813,2.9799162387144777,2.7557140012308468,2.0958992245790995,2.095899224579097,1.5763655153088125,2.105453664090659,1.6242618781868077,1.3642393094039476,1.3642393094039458,1.2331106720322438,0.8249853226861621,0.8249853226861612,0.5014275895708641,3.9725424480480305,3.387516244066066,3.1215524247583177,3.1215524247583155,2.9402216578032814,2.386450742436773,2.386450742436771,1.9644569717354654,1.9883755570878652,1.4157029664701897,1.1504345833021838,1.1504345833021805,0.9764979188037579,0.44253231563415,0.4425323156341481,0.03600689905648085,3.9069353940775757,3.2720271938555614,3.0032355913248305,3.0032355913248265,2.7868761944250076,2.145396886414367,2.1453968864143658,1.644709070674986,2.0797786556345903,1.5787692188931632,1.317578827110785,1.3175788271107816,1.1786972170718917,0.7461196409053852,0.7461196409053843,0.4082358755805557,4.011258732014059,3.4565411734244766,3.192283751951654,3.192283751951648,3.0283139941550967,2.52184183769697,2.5218418376969667,2.1355794137440487,1.9525110092874662,1.3519894081623434,1.0851514801824063,1.0851514801824063,0.8938728747611121,0.31419701473488043,0.314197014734879,0.12922398470821544,3.904309235108985,3.3952161747008436,3.037754538295153,3.03775453829515,2.896729497534809,2.2995257795502857,2.273428705668474,1.8090259946042648,2.064133392276939,1.4536101821433796,1.2457056772784243,1.2457056772784232,1.0331762584672781,0.5753154981213034,0.5518377332512681,0.20811640246969873,0,0,0,0,0,1,6,5,0,0.0,0.0,0.0,0.24719387459906544,0.5852871903890682,0.0,0.0,0.0,0.24719387459906544,0.5852871903890682,0.8776643872851507,0.0,0.13608276348795434,0.0,0.8776643872851507,0.0,0.13608276348795434,0.0,2.0411422537193933,3.884066114396804,5.5257518717285645,2.0411422537193933,3.884066114396804,5.5257518717285645,8.129392033067417,5.864504642955708,5.502824321302915,4.893399962028,4.70455098632562,3.8955577286003544,2.8069123953762523,1.8178221969075552,0.6774493360889514,0.4188931887825506,0.2620392533953769,0.1631133320676,0.10692161332558227,0.06492596214333925,0.04385800617775394,0.026732679366287575,8.129392033067417,5.864504642955708,5.502824321302915,4.893399962028,4.70455098632562,3.8955577286003544,2.8069123953762523,1.8178221969075552,0.6774493360889514,0.4188931887825506,0.2620392533953769,0.1631133320676,0.10692161332558227,0.06492596214333925,0.04385800617775394,0.026732679366287575,17.418278037858737,30.878368536052434,29.254901960784323,29.599999999999987,19.98554491017965,243.7679401197605,0.5443211886830855,0.9649490167516386,0.9142156862745101,0.9249999999999996,0.6245482784431141,7.617748128742516,3.468700000000003,50.826000000000036,82.21876324941356,104.74913476291053,164.4375264988271,13.703127208235593,82.21876324941356,0.03400571363657362,0.0028338094697144683,-4.057472064419957,74.0125295322089,6.167710794350742,5.165081276249182,120,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,6.0,0.0,0.0,0.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4096485260770977,0.0,9.47840702947846,0.0,0.0,0.0,5.77861111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4096485260770977,0.0,1.4670370370370371,0.0,0.0,0.0,1.1368518518518518,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4096485260770977,0.0,1.6026851851851853,0.0,0.0,0.0,1.1623148148148146,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.666666666666668,1.4722222222222223,0.2,2.4096485260770977,0.2,1.1368518518518518,8.065470073696146,0.19648148148148153,0.4096485260770977,1.842037037037038,0.19648148148148153,0.4096485260770977,1.842037037037038,6.0,0.5,0.0,0.0,0.45,0.7,0.45,0.45,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.08333,0.41667,0.0,7.0,0.58333,7.0,0.58333,0.0,0.0,-7.0,-0.58333,0.0,0.0,14.72457,1.22705,14.72457,0.0,0.0,5.86448,0.48871,5.86448,0.0,0.0,0.04952,0.00413,0.04952,0.00413,0.3125,64.0,0,0,0,0,0,0,1.0,0.954434002924965,1.4513132069840315,2.6564462981346573,3.250807235905091,3.4139097655573916,3.390319531114783,30.54188809359888,46.44202262348901,85.00628154030903,104.02583154896291,109.24511249783653,108.49022499567306,0.19088680058499302,0.2902626413968063,0.5312892596269314,0.6501614471810182,0.6827819531114783,0.6780639062229566,4.045565997075035,3.5486867930159685,2.3435537018653427,1.749192764094909,1.5860902344426084,1.6096804688852169,0.1876051054734377,0.28527249284583356,0.5221554203001875,0.638983976363775,0.6710436758135335,0.6664067408267396,6.794779896422575,12.757330345131372,17.925564287843095,19.764507358551878,19.24187523521799,19.905111341935978,46.68191129443676,38.26836398925566,30.786353774511714,26.610704000149166,26.991729296672176,26.17095859334435,7.408163265306122,2.494331065759637,1.0,2,0,2,2.7800000000000002,1.4736000000000005,0.0,1.7663877645007218,1.4734231924041579,0.0,5.773470188248168,15.764087551650274,0.0,5.296119205244061,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.13299999999999998,0.164,0.382,0.589,5.69,21.0,30.0,44.0,60.0,64.0,68.0,56.0,20.0,12.0,401.0,2.70805020110221,3.091042453358316,3.4339872044851463,3.8066624897703196,4.110873864173311,4.174387269895637,4.23410650459726,4.04305126783455,3.044522437723423,2.5649493574615367,5.996452088619021,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,4.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,4.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.07142857142857142,2.0,0.14285714285714285,1,3.0,6.0,1.0,3.0,0.8888888888888893,0.875,0.42222222222222244,0.2152777777777778,0.04,0.0,0.0,0.0,0.0,0.21428571428571427,0.042328042328042347,0.04861111111111111,0.046913580246913604,0.07175925925925926,0.04,0.0,0.0,0.0,0.0,0.46389770723104057,28.531103438132554,40.02865116031432,57.06220687626511,4.755183906355425,28.53110343813534,0.15861854577655551,0.013218212148046292,-2.2095036508071138,104.85972048642851,8.73831004053571,5.5831481538632435,0.0,179.0388981088002,4.584962500721156,4.2626798770413155,5.153291594497779,6.075346031088684,6.9782137426306985,7.904334842085095,8.80941494391005,9.736074312475292,10.641631999026805,11.568331789241734,97.12931913199746,3.367295829986474,0.0,4.727387818712341,0.0,6.343880434126331,0.0,8.0861025356691,0.0,9.881701960464206,10.066328930041957,164.15650064,5.129890645,25.32089862212458,2.1100748851770486,0.0,0.0,0.0,167.0,18.0,5.843,70.0,1.2771494949888138,2.203438537461259,2.9443735887694045,3.642561061896754,4.213244802881226,4.554611027597249,5.236240448670402,5.442977074886804,0.0,0.0,97.72286238074334,119.24519937841293,91.1611342613992,62.684664532060765,46.142916230168716,29.94713252100575,23.85623189143196,5.5304130586177855,0.0,0.0,338.7341279962562,455.95192250207714,429.065132875375,369.6623738185074,342.29750505649673,269.7489977129011,302.56684184677414,169.1881083391938,0.0,0.0,9.353501559002131,15.896673472792607,20.892310433369662,25.408330968480104,29.155540322232003,31.115721557879542,35.84660256389326,36.568445530452294,0.0,0.0,2.4649770012978314,3.506830587610328,3.6304457176048444,3.452718957981369,3.4427365797891776,2.977537900502604,3.446051845019943,2.4200178482919346,0.0,0.0,179.17256977500338,325.69033200902584,459.50136300690207,601.039702986723,712.5933101831429,801.8195835714865,915.1357136222355,1006.5025407098827,0.0,0.0,2.2735458028856925,3.496608765751541,4.262115462396861,4.821453928669322,5.487639212165608,5.30092609747613,6.4262335422506505,5.442977074886804,0.0,0.0,0.5072539438723842,0.7295523343686101,0.7684764564982133,0.7440282252562402,0.7509217136705134,0.6603032361283869,0.7661550544014756,0.5573608524684087,0.0,0.0,364.74833185973574,197.34336786616143,9.893401141388194,61.104729785561375,-33.060091342848374,-2.9766835932794034,303.6436020741744,230.4034592090098,12.870084734667598,0.8565121745292114,0.46340718346304455,0.02323195964158322,0.1434878254707886,-0.07763262571160023,-0.006989931179028958,155.32919385248334,84.039277401199,4.21313516614524,26.021636260189894,-14.078741116625162,-1.2676298217473585,0.05612875748691493,0.11998306173628961,0.8617280591898373,0.8565403461330672,425.85306164529715,0.0,1.0,0.0,886.1516677035448,29.768299711329583,9.60511759730618,1079.8923893392976,32.86171616546065,10.259514906442856,1817.090634884621,42.627346092439545,12.202782297625843,1.3056522341330965,1.3056522341330965,535.6690859863762,518.6932464511192,309.27218790173447,1.0327280905456262,1.732031223436668,1.6771415818868407,4.110066634225429,3.9288644181784407,6.653203999546356,0.6934165426433868,5.584273410392779,12.48925615577375,10.643760098864249,43.369541884110916,9.331955918788163,33.77420566973049,24.817583417498707,11.233452106716358,14.893706056416818,8.400253606097337,2.324077958704745,2.039903629690954,5.982804535387399E-6,7.216545233686148E-32,1.679129765926851E-79,7.535552297137373E-149,6.522616140802176E-240,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.468168098965256,10.667031101974754,0.7901187020062341,18.828952216979054,5.670253539672681,6.803868893600689,2.002556273686294,1.4756763451950632,0.21068025941657487,0.3409610308473114,0.019622759021987707,0.014367208057215487,4.213738152845268E-8,5.082671814373085E-34,1.1826248235947038E-81,5.307351097532136E-151,4.5939318803238834E-242,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.511620528593699,11.038776124177776,2.6185598355169413,21.266916863543166,5.9621484980303245,11.508040831515167,5.5095312775763,2.9179965312120526,1.3621955679390496,1.3405229998273642,0.1789345543217312,0.14971738513182248,4.391040036184027E-7,5.296535906633463E-33,1.232386247038855E-80,5.530669042548981E-150,4.7872312133072116E-241,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.270767085740467,12.377626566916648,9.975824281030992,40.95754632083817,8.94663537739142,31.83971645339056,23.014011226380187,10.441710901750533,13.341908432414847,7.678508916893142,2.072952252039003,1.8175174085630224,5.330571129354671E-6,6.429811879835807E-32,1.4960743911567825E-79,6.714041430113636E-149,5.811533551258078E-240,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2281714013940705,11.294029769185721,3.928033301637761,23.703973249761503,6.297783471093592,14.975155358429022,8.25843583084935,4.071247164252999,2.700672548167739,2.2183566713320872,0.3806622012656764,0.3252061667355996,9.53792571846378E-7,1.1504783747439505E-32,2.6769076081865926E-80,1.201335220506939E-149,1.0398505896866253E-240,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.745389144856252,12.902654614020687,13.190291134177949,53.33290172056487,10.94160242422047,41.2585103602971,31.957349991576052,14.38561409494559,21.38064821091361,11.331835609636036,3.378835350182101,2.975007730552641,8.725358141482129E-6,1.0524653001059518E-31,2.4488529563478626E-79,1.0989894822317551E-148,9.512622635635852E-240,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.948999580267447,11.54741054043675,6.570206013879008,30.707230817199516,6.9246944128677415,22.846161316893323,15.44611568097503,7.346779678905188,7.205275523595126,5.112948749957751,1.0917974151731493,0.9411588124170438,2.7603113840733597E-6,3.3295274556273576E-32,7.747070760559626E-80,3.476709069807773E-149,3.009366507112716E-240,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.152295966977559,1.6017509547679933,1.440368075739217,0.5088932479108266,0.25857985869825983,0.48202493215539094,0.5184915169114279,0.4351541585091577,6.1944149974847695,11.896770491466189,25.363882002161766,0.2633398718662399,1.4356706075759764,2.278647196937026,0.9941422304041121,0.8902296796782346,0.5473544892203211,0.23880318702546036,0.252299923835575,0.2011162907199208,0.16158282343545616,4.163019107019372,5.178833690223268,11.358489562415146,0.32103173383048167,0.6149990379909519,2.6055952490872034,1.221160300243226,1.0980402764508728,0.5290768066864648,0.24796160966723793,0.32951547921602364,0.30315269502282416,0.24976141778047997,4.9247958257813025,7.38378119798435,15.802375902772827,0.29361521002969737,0.8824295920193278,3.1285367240358344,1.5851992548203184,1.4255899138739991,0.509589615977297,0.25820412249126945,0.474786537612792,0.5079837889013428,0.4261466618142331,6.139325892730152,11.679208551741919,24.88853960541001,0.2643844239659456,1.4089169883283679,2.759510080768742,1.3282300378630683,1.194962268292562,0.5223671292933367,0.2514300334523243,0.3694853936254649,0.35816412297689537,0.2972690795363852,5.282702386924372,8.54995938341376,18.212514167642713,0.28355069394000504,1.0249185961387455,3.227450895611044,1.6541100474173547,1.4870659809638547,0.5067734276367183,0.2597278922377911,0.5052872370397756,0.5524135278049263,0.46420466431512625,6.368626923992253,12.597762166355732,26.905178498176223,0.2601601414550774,1.5219054291598282,3.1445982746876804,1.5894951046750856,1.428820683474708,0.510245355139655,0.25791291075431033,0.4796580630572615,0.5106724305741357,0.42816171565067895,6.162914062837474,11.762494101719986,25.067116255193607,0.2653680327094824,1.4184922092820762 +UMLCN0467,L,"2,4-dimethyl-2-heptene",CCCC(C)C=C(C)C,Alkenes,,C9H18,NREL (2014),IQT,PubChem,,27,0,1.7084999999999984,2.918972249999994,41.9001,27.84227399999997,0,0,27,9,18,0,9,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1316.666240999998,1372.0405519999995,1615.2791849999978,1449.8539509999976,1347.0722229999963,861.7064429999998,488.59507400000086,157.47782400000003,18.289152,4371.159515500713,5453.394308663972,7115.239947039951,7477.7397961083325,6889.88103215989,5700.019317171431,3644.127082414481,1749.8443296173864,559.5073997567447,188.79699600000006,188.44150400000007,339.8639399999999,409.396156,459.1521879999997,378.834924,389.7857359999999,166.03315200000006,120.93235199999997,33.10313228728198,42.35499758000001,59.16328841788605,65.61015732758406,62.477746514866105,53.785625922433084,38.727618033658004,18.697886578187994,8.003032287282004,4469.666941246483,3770.5607075522007,7558.060025971988,9205.532094969487,11002.824354276969,8730.149774920836,10010.723217466159,4056.4823968457886,3328.517736436482,47.05555555555556,55.91666666666667,82.88888888888889,100.16666666666667,98.83333333333331,90.66666666666666,72.0,36.0,18.0,48.76541633333326,52.77079046153844,33.651649687499955,24.99748191379306,20.41018519696964,15.95752672222222,8.571843403508787,6.561576000000001,1.016064,161.89479687039676,209.74593494861432,148.2341655633323,128.92654820876436,104.39213685090743,105.55591328095242,63.932054077447035,72.91018040072443,31.08374443093026,6.992481333333336,7.247750153846156,7.080498749999998,7.058554413793104,6.956851333333328,7.0154615555555555,6.838346245614033,6.918048000000002,6.718463999999998,1.2260419365659994,1.6290383684615388,1.2325685087059595,1.1312096090962769,0.9466325229525168,0.9960301096746867,0.6794318953273334,0.7790786074244997,0.4446129048490002,165.54322004616603,145.02156567508464,157.4595838744164,158.7160706029222,166.70945991328742,161.66944027631178,175.6267231134414,169.02009986857453,184.917652024249,1.7427983539094651,2.150641025641026,1.7268518518518519,1.7270114942528736,1.4974747474747472,1.6790123456790123,1.263157894736842,1.5,1.0,0.0457224853522693,-0.002401611221426992,-0.0049669527856774556,-0.028661460640033623,0.02010407788933763,-0.026004918726444247,0.015886590166022792,-0.00816076783687589,0.011343800478963136,726.3960540000007,-53.80711511111045,3.232969447708456E-13,-349.7462482222217,161.421345333333,-524.619372333332,322.8426906666657,-161.4213453333336,242.13201799999948,1350.7644806353373,-100.05662819521056,-4.476419235288631E-13,-650.3680832688659,300.1698845856301,-975.552124903297,600.3397691712607,-300.16988458563026,450.2548268784456,0.14229599999999987,-0.010540444444442541,1.2620113287731272E-15,-0.06851288888888761,0.03162133333333273,-0.10276933333333271,0.06324266666666421,-0.03162133333333374,0.04743199999999858,6.038545709094,-0.4472996821550955,1.0436096431476471E-14,-2.9074479340082116,1.3418990464653282,-4.3611719010123275,2.683798092930646,-1.3418990464653366,2.0128485696979883,32.80147613069398,-2.4297389726441825,-1.199040866595169E-13,-15.793303322186071,7.289216917932048,-23.689954983278987,14.578433835864216,-7.289216917931951,10.93382537689812,4.240740740740742,-1.4962277091906726,1.5967078189300414,-3.2558299039780527,2.6399176954732524,-3.7777777777777786,2.46090534979424,-1.4979423868312747,1.2098765432098768,0.0016934253834173813,-9.236966236257661E-5,-1.03478183034947E-4,-4.941631144833383E-4,3.0460724074753983E-4,-4.815725690082268E-4,2.7871210817583843E-4,-3.400319932031621E-4,6.302111377201742E-4,26.903557555555583,-2.069504427350402,6.735353016059283E-15,-6.03010772796934,2.4457779595959543,-9.71517356172837,5.663906853801152,-6.725889388888899,13.451778777777749,50.02831409760509,-3.8483318536619446,-9.325873406851315E-15,-11.213242814980447,4.548028554327729,-18.065780090801795,10.532276652127381,-12.50707852440126,25.014157048802534,0.005270222222222217,-4.054017094016362E-4,2.6291902682773483E-17,-0.0011812567049808208,4.79111111111102E-4,-0.0019031358024691244,0.0011095204678362143,-0.0013175555555555725,0.002635111111111032,0.22364984107755553,-0.017203833929042137,2.1741867565575981E-16,-0.050128412655313995,0.020331803734323153,-0.0807624426113394,0.047084177068958705,-0.05591246026938903,0.11182492053877713,1.214869486321999,-0.09345149894785318,-2.4980018054066022E-15,-0.27229833314113916,0.110442680574728,-0.438702870060722,0.25576199712042486,-0.30371737158049794,0.6074347431610067,0.15706447187928674,-0.05754721958425664,0.0332647462277092,-0.05613499834444918,0.03999875296171595,-0.06995884773662553,0.04317377806656562,-0.062414266117969776,0.06721536351165983,-0.05454604806748081,-0.06110584147860417,-0.2918127478909658,0.17987638766393924,-0.2843777905563217,0.16458481779302808,-0.20079537990446777,0.37215170145163995,-0.0769230769230759,2.5035176118068565E-16,-0.2241379310344822,0.09090909090909062,-0.36111111111110983,0.21052631578947284,-0.2500000000000001,0.4999999999999984,-0.07692307692307722,-1.8641190643875315E-16,-0.22413793103448268,0.09090909090909079,-0.3611111111111102,0.21052631578947356,-0.24999999999999975,0.4999999999999998,-0.0769230769230631,4.9887654778411536E-15,-0.2241379310344788,0.09090909090908927,-0.36111111111110933,0.21052631578946573,-0.25000000000000344,0.4999999999999855,-0.07692307692307425,9.721387442451393E-16,-0.22413793103448196,0.09090909090909056,-0.36111111111111066,0.2105263157894721,-0.25000000000000067,0.49999999999999717,-0.07692307692308277,-2.0561894372450402E-15,-0.22413793103448393,0.09090909090909158,-0.3611111111111112,0.21052631578947698,-0.2499999999999985,0.5000000000000059,-0.366392341283171,0.2117903930131004,-0.3574009938262309,0.25466454942437483,-0.44541484716157204,0.27487933808319936,-0.39737991266375505,0.4279475982532751,1.4152018726969722,1.2093971074798908,1.4670276088769896,0.7852283399593528,1.2817244049111196,0.48429361504774027,0.9300770956073542,0.005628565620168485,1.4999999999999993,1.1284722222222219,1.3074712643678157,0.8207070707070704,1.3641975308641971,0.4941520467836254,1.0833333333333326,0.0,1.499999999999998,1.1284722222222205,1.3074712643678141,0.8207070707070695,1.3641975308641954,0.4941520467836252,1.0833333333333324,0.0,1.4999999999999991,1.1284722222222214,1.3074712643678152,0.8207070707070703,1.3641975308641967,0.49415204678362556,1.0833333333333328,0.0,1.5000000000000004,1.1284722222222225,1.3074712643678161,0.8207070707070709,1.3641975308641976,0.4941520467836259,1.0833333333333337,0.0,1.5,1.128472222222222,1.3074712643678155,0.8207070707070707,1.3641975308641967,0.4941520467836256,1.0833333333333328,0.0,1.8406113537117896,0.6812227074235805,1.5136651106761023,0.5457522826518459,1.6462882096069862,0.3675017237416685,1.5327510917030562,0.0,43.10124852184409,21.550624260922042,32.39020693245039,43.101248521844084,4.789027613538232,21.55062426243128,-7.105427357601002E-15,0.14701339707316602,0.016334821897018445,-1.7255084038235409,510.4038388517666,56.711537650196284,5.611682027937234,43.10124852184409,21.550624260922042,32.39020693245039,43.101248521844084,4.789027613538232,21.55062426243128,-7.105427357601002E-15,0.14701339707316602,0.016334821897018445,-1.7255084038235409,510.4038388517666,56.711537650196284,5.611682027937234,43.10124852184409,21.550624260922042,32.39020693245039,43.101248521844084,4.789027613538232,21.55062426243128,-7.105427357601002E-15,0.14701339707316602,0.016334821897018445,-1.7255084038235409,510.4038388517666,56.711537650196284,5.611682027937234,43.10124852184409,21.550624260922042,32.39020693245039,43.101248521844084,4.789027613538232,21.55062426243128,-7.105427357601002E-15,0.14701339707316602,0.016334821897018445,-1.7255084038235409,510.4038388517666,56.711537650196284,5.611682027937234,43.10124852184409,21.550624260922042,32.39020693245039,43.101248521844084,4.789027613538232,21.55062426243128,-7.105427357601002E-15,0.14701339707316602,0.016334821897018445,-1.7255084038235409,510.4038388517666,56.711537650196284,5.611682027937234,43.10124852184409,21.550624260922042,32.39020693245039,43.101248521844084,4.789027613538232,21.55062426243128,-7.105427357601002E-15,0.14701339707316602,0.016334821897018445,-1.7255084038235409,510.4038388517666,56.711537650196284,5.611682027937234,52.67886554387714,26.232025364531147,40.51115437973295,52.511787354576704,5.834643039397411,26.23202536454384,-0.21481481481484366,0.25206240675931757,0.02800693408436862,-1.2402707186336246,43.97836378286636,4.886484864762929,3.405328002693673,0,11.889999999999999,12.110134441590947,-0.1731116132927945,0.04985273859897819,5.3060255831324925,8.759880888412244,8.0,26.0,25.0,25.0,7.0,1.0,1.0,0.0,0.0,1.0,19.677725999999996,3.611328919391505,3.2482985900620154,2.8787317392918226,2.333552793103049,2.2407978109867392,2.0615898403733,1.4408741680357573,0.9900099182835347,1.9334490807940707,1.7247482603484936,1.5218978352226868,1.2496297225843571,1.1452867782414355,0.9154796512055814,0.6477221079678972,0.346365655790053,3.6310071710716088,3.2801585798952715,2.9239563076307196,2.4054545878412874,2.3108357128246166,2.1260964520883476,1.5402634408291145,1.1055962929092509,1.8823070944714648,1.6551841247721275,1.4329127142802394,1.134540685948351,1.0307077889105305,0.8053246714391309,0.5041501163494833,0.1892137283991072,3.7210026107170515,3.4212581491933216,3.121022864354487,2.704236987233522,2.6041225499142913,2.399801111508292,1.9464553272325895,1.5695659319293314,1.7396594219478814,1.4495383501516625,1.1597653920602826,0.7603185604308984,0.6594968034524968,0.45200928686570635,0.021066365613048234,0.3465188301713254,3.6456877694598773,3.303698362555508,2.9572227076023467,2.457539916041692,2.3617178208439547,2.1731908905364286,1.6119698445052906,1.1884606672823728,1.850417865816372,1.6107584770532373,1.3751954847697279,1.0582626705327118,0.9548532827319309,0.7326863172117823,0.40774217910606614,0.08321655173599111,3.7669229611065957,3.4902684090519513,3.215073418603848,2.8389820851496483,2.7373020368627743,2.5256009234449777,2.124748913681697,1.7695152727479195,1.697656303472171,1.3853982016828712,1.0715099794003142,0.6313372621875626,0.5322765475398714,0.3322884855011482,0.15136723391531526,0.541024378882183,3.6485314088677923,3.3134496721011177,3.0189626263584577,2.5984868926708033,2.4493278673537824,2.279233939048627,1.6667860221113044,1.2456888232280512,1.8617359539064653,1.5579100612928012,1.2938473718146344,0.9109868926708075,0.8519916405508529,0.614297541663494,0.312977156480372,0.01617450760533623,0,0,0,1,1,4,2,1,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.696923425058676,0.0,0.0,0.0,0.5243773949903288,0.0,0.0,0.0,0.6064930722941141,1.0576775358252053,0.6380711874576984,0.4511844635310912,0.7702200572599405,0.4511844635310912,7.276020881938894,4.163902460147014,3.52339596063022,1.6552478622747717,1.4153882641488673,0.3535533905932738,0.23570226039551587,0.0,0.8084467646598772,0.5204878075183768,0.3914884400700245,0.23646398032496738,0.20219832344983818,0.11785113019775793,0.11785113019775793,0.0,7.068914100752346,3.814713808768183,3.0099759546438176,1.3618680660540505,1.107710728323662,0.25,0.16666666666666666,0.0,0.7854349000835941,0.47683922609602286,0.33444177273820197,0.19455258086486435,0.15824438976052316,0.08333333333333333,0.08333333333333333,0.0,13.876450234072873,25.99053168244719,24.52941176470589,24.839999999999996,16.18699041916167,207.25429580838326,0.5139426012619582,0.9626122845350812,0.9084967320261441,0.9199999999999998,0.5995181636726544,7.676085029940121,3.3149900000000025,43.23300000000001,23.544109154964154,35.61764690048349,47.08821830992831,5.2320242566587005,23.544109155161646,0.046214986674228964,0.005134998519358774,-2.7670060319475804,47.540601386427205,5.282289042936356,3.4754257007695775,72,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,5.0,3.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,2.0,0.0,1.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7775,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2507638888888889,0.0,0.0,1.219652777777778,0.8708333333333333,0.0,0.2507638888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.823564814814814,0.0,2.6211574074074075,0.0,2.3368055555555554,0.0,0.7777777777777777,0.0,0.0,1.4406944444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.4406944444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2507638888888889,0.0,0.0,0.21694444444444444,0.2902777777777778,0.0,0.2507638888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.158888888888889,0.0,1.296574074074074,0.0,2.3368055555555554,0.0,0.7777777777777777,0.0,0.0,1.4406944444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3368055555555554,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2507638888888889,0.0,0.0,0.2902777777777778,0.2902777777777778,0.0,0.2507638888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.2743055555555554,0.0,1.3245833333333334,0.0,2.3368055555555554,0.0,0.7777777777777777,0.0,0.0,1.4406944444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.999999999999998,1.7777777777777777,0.2902777777777778,2.3368055555555554,0.04902777777777778,0.7777777777777777,5.856901064814814,0.5555555555555556,0.3368055555555555,2.3207407407407405,0.5555555555555556,0.3368055555555555,2.3207407407407405,4.5,0.5,0.0,0.0,0.43333,0.7,0.42414,0.42414,0.7,0.0092,0.0092,-0.0,0.0,0.71429,0.0,0.0,0.44444,0.22222,0.0,5.0,0.55556,4.0,0.44444,1.0,0.11111,-3.0,-0.33333,0.0,0.0,9.26512,1.02946,10.47473,1.2096,0.1344,3.59941,0.39993,4.16389,0.56448,0.06272,0.25011,0.02779,0.25011,0.02779,0.0,8.0,0,0,0,0,0,0,0.7777777777777778,0.9182958340544896,1.9590775650799215,3.2356449092503627,3.606015279620733,3.6060152796207334,3.42990833509616,24.79398751947122,52.89509425715788,87.3624125497598,97.3624125497598,97.3624125497598,92.60752504759631,0.193126721428565,0.4120134417877485,0.6804882150793573,0.758380777248673,0.758380777248673,0.7213437402116359,3.8365916681089796,2.795809937083548,1.5192425929131064,1.1488722225427361,1.1488722225427357,1.3249791670673092,0.193126721428565,0.4120134417877485,0.6804882150793573,0.758380777248673,0.758380777248673,0.7213437402116359,6.732876570223358,16.953886986918484,19.868913877036842,20.242182407407213,20.242182407407213,18.12889907311234,35.548875021634686,20.502981100028517,18.505375936502883,17.205459268233646,17.205459268233646,16.14881760108621,9.0,4.839506172839506,5.877551020408164,9,2,7,2.45,1.3337,1.4708413767164403,4.4359023587640305,3.777096747436714,0.0,1.6509636244473134,3.5327755290014426,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.121,0.096,0.164,0.16900000000000004,3.9539999999999997,9.0,7.0,7.0,3.0,2.0,0.0,0.0,0.0,0.0,45.0,2.302585092994046,2.5649493574615367,2.4849066497880004,2.5649493574615367,1.9459101490553132,1.6094379124341003,0.0,0.0,0.0,0.0,4.1588830833596715,1.4,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.375,7.0,0.875,0,3.0,6.0,1.0,2.5,0.666666666666667,0.625,0.16000000000000003,0.1111111111111111,0.0,0.0,0.0,0.0,0.0,0.3125,0.07407407407407411,0.08928571428571429,0.02285714285714286,0.037037037037037035,0.0,0.0,0.0,0.0,0.0,0.5357539682539683,23.544109154964154,35.61764690048349,47.08821830992831,5.2320242566587005,23.544109155161646,0.046214986674228964,0.005134998519358774,-2.7670060319475804,47.540601386427205,5.282289042936356,3.4754257007695775,0.0,161.58386163280014,4.169925001442312,3.5553480614894135,4.204692619390966,4.962844630259907,5.631211781821365,6.398594934535208,7.072421900537371,7.841885928984623,8.517393171418904,9.28720881623276,74.47160184467053,2.833213344056216,0.0,3.970291913552122,0.0,5.25227342804663,0.0,6.608000625296087,0.0,8.00202481821611,8.29254851397576,126.14085057599999,4.671883354666666,16.49037012099532,1.8322633467772578,0.0,0.0,0.0,102.0,7.0,4.478,34.0,1.2187764372582608,2.112671257568232,2.970620099538331,3.6528930371803843,4.546338927352069,5.304414379338737,6.942875790900039,7.902844494004386,0.0,0.0,75.70630495611722,82.29945590823932,83.70133150454781,88.35086787211662,85.77502556279491,57.43497212533126,48.92463039819052,8.029795787956072,0.0,0.0,282.2469291394355,345.19305261798627,408.7882658560262,421.94710125439724,522.3897389075167,383.8083316216298,531.6123013483644,245.6499985290167,0.0,0.0,8.869835144351292,15.031427822849414,21.022010647751067,25.50957685908576,32.01001016862886,36.417071852346275,48.152378153264806,53.09497623056669,0.0,0.0,2.1298311457284216,2.7995259065512905,3.5142605077116205,3.709529994725779,4.8020454983141585,3.908745359614586,5.612205250164412,3.513706647049215,0.0,0.0,174.4796613621922,327.4337637494994,467.69132187501134,601.9281681831735,726.4287655612575,920.6419364197315,1163.8291591876987,1461.3754481440553,0.0,0.0,2.6996365974352523,3.83147353545468,5.252229912152473,5.700520967274297,7.886781836771083,7.048490639972547,10.718020831663226,7.902844494004386,0.0,0.0,0.4412424853740575,0.588532883244275,0.746001650885598,0.7924163359892156,1.030106322728396,0.8564949303406512,1.2304104385971784,0.8092512761860492,0.0,0.0,362.58037112937086,182.1088201536022,9.7766357977519,78.40148808821644,-39.377759059487154,-4.7408412530235715,284.17888304115445,221.48657921308936,14.517477050775472,0.8222115344442504,0.4129621578463773,0.022170154153502167,0.17778846555574962,-0.08929564388284181,-0.010750649156940415,159.89136617643277,80.30668609125674,4.311319030985853,34.5736339825672,-17.364877401874836,-2.0906249900137706,0.11431208864458221,0.16416254924173238,1.5754533291200854,1.022212777169503,440.98185921758727,0.0,1.0,0.0,515.2417734416708,22.698937716150304,8.01684872681445,695.6279260325765,26.374759260182387,8.860515768919807,874.9699455676536,29.57989089850829,9.564546403920852,2.112815650043246,2.112815650043246,863.8584078331152,790.1685159512899,133.55522972927793,1.0932584510699082,6.468173575712404,5.916417631514653,4.735100687362322,4.673474542564664,9.078399361671638,0.942537458798199,7.403771933421986,6.7285426960249675,4.309221777175614,24.32540592684129,10.479206406135742,12.315545452567482,8.467623740707191,9.128785502935536,13.785261345609404,7.675798329147781,7.4475690884556345,3.6962575771254085,3.674102369920673,4.071251036436119,1.792167347712241,1.0181140724055822,1.2716125952870991,2.182399239952357E-8,1.3179611270927743E-37,1.706222429941602E-88,4.312304726881454E-161,2.1048665654654856E-255,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6213509097980616,6.71053390057845,0.222909022302873,8.77601057706731,2.2950500971536707,0.7272524284103203,1.4200183852768367,2.3119124388044727,3.2285351945192824,1.1576238290947614,0.16604655393633763,0.43621680832339743,0.4548694195762888,1.23477219538798,0.029244111681067927,0.05834562219650462,0.008956071482374784,1.5370816291480762E-10,9.282507981581871E-40,1.2017064083842332E-90,3.037191478825202E-163,1.4824747325588484E-257,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0057876368049268,6.711737446452725,0.8109933470919929,10.081442529654996,3.0242928006032472,2.5492523747703566,2.587765744949181,3.218831843991875,4.739645612023222,1.9806443552963013,0.8383360849105208,1.0476221165893964,0.9300308559232005,1.7735049440664694,0.17423938397228542,0.206202186068652,0.09332917001374436,1.6017575671888256E-9,9.67308900193555E-39,1.2522707295874646E-89,3.1649876896297404E-162,1.544852970728993E-256,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.988556978377579,6.726565545503791,3.9720271860023963,22.712458665092704,9.645171066875022,11.413875271484216,7.940367549215214,8.540043779627245,12.911251380408912,7.09723150359042,6.713824609665169,3.4775631810091014,3.41265441863007,3.8833636370817124,1.6082338883780087,0.9423583039519512,1.1329839288694503,1.9444784318801622E-8,1.1742796362705457E-37,1.5202134670299986E-88,3.8421858748901124E-161,1.8753982147751573E-255,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.9561600481012946,6.713297759564799,1.2877430004936092,11.532386214653272,3.8043918782318076,3.961350186703038,3.4697995083314597,3.9852764254683453,5.968116000134557,2.6963028241741065,1.5415424830124056,1.4833778467843097,1.310239791188268,2.155280051969789,0.33756897338036906,0.321968904927432,0.2027234285321035,3.4792314733962033E-9,2.101124189446665E-38,2.7200993613785185E-89,6.87477618850743E-162,3.3556270859161224E-256,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.941126021688508,6.73685631086309,5.6565215242780225,31.047967227564005,13.945368478770224,15.872301986878556,10.528597570757329,11.503262964307945,17.279902561539217,10.021812398602542,10.491268488295743,4.527690449510673,4.715212411922251,4.783082181701953,2.5594921721853994,1.3179051629302543,1.8545274620744472,3.182824186157318E-8,1.9221224398051094E-37,2.4883650606021995E-88,6.289091166975686E-161,3.069750067060913E-255,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.356760292479465,5.9160314752009615,1.9070780186028167,14.329803633960973,5.0081609796543445,6.1135122919734,4.473120783576716,5.278027861307011,8.145515632956862,3.9217753259627783,2.7137008757522016,2.0139258946486818,1.7625969118822946,3.1155357914938233,0.6354611208689448,0.5327526406711697,0.4023461727275637,6.905247595161754E-9,4.1701113786919815E-38,5.3985944072371005E-89,1.3644401674898351E-161,6.659929367293138E-256,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.293949729291925,1.4653160239935787,0.6227100971946072,0.7774428164743854,0.15618416070838564,0.5441263497425227,0.5502679613719256,0.3920021004317299,9.381975850480112,16.142424645116893,32.179889533897835,0.6661642247115782,1.486396411546178,6.036867507589531,0.8245963526443516,0.2376310605621682,0.8503714311390828,0.11615513834429561,0.3726651003886585,0.1742391716544098,0.05694864699202195,7.099094920796051,6.608475862271891,14.890493195221664,0.7755571467086241,0.6038529190350903,6.535862264812368,1.0790535024577492,0.39086535914248033,0.8163928243365676,0.13478428718188984,0.4368202524251271,0.29861429799666483,0.15445994875327954,8.005781126412598,10.028951854640994,20.79132854209293,0.7245892365048514,0.8898944991750715,7.262801639117193,1.4494555904525497,0.6132009211828886,0.778814458411465,0.1554299603323584,0.5394833047121187,0.5384573268415127,0.3801402182912491,9.325458150752631,15.869472596920803,31.650163339349202,0.6682216876171975,1.4580808498448805,6.758408109023953,1.1924954712042184,0.45902490670115614,0.8036225420380018,0.1417961488088263,0.46708975787229035,0.3647063897509517,0.21308675506803323,8.409928486929328,11.709033836665053,23.81841437365641,0.7054338130570028,1.0448829026912754,7.391473738155839,1.5149685470408594,0.6524753935743373,0.773254251846025,0.1584874562112177,0.5587934562640519,0.5880542519898223,0.4302991781227127,9.558917678771035,17.009084664965457,33.8743240794712,0.6598813777690375,1.5771468863765867,7.276791532401694,1.45260401171073,0.6139723675945984,0.7788189014032129,0.15546899420396912,0.5415667338227252,0.5407723220911762,0.38115330765980965,9.343367911707022,15.929904222237813,31.763142146647247,0.6682283521048192,1.4634923635737112 +UMLCN0468,L,4-heptanol,CCCC(CCC)O,Alcohols,,C7H16O,NREL (2014),IQT,PubChem,,21,0,-1.5601000000000003,2.4339120100000007,29.4063,23.79068799999998,0,0,24,8,16,0,7,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1282.0738719999983,1255.4820269999998,1434.6134149999984,1317.649965999997,1123.9414289999975,597.2927540000001,287.68840900000066,84.835296,9.144576,3678.3490001045525,4646.8937887550455,5984.309997096021,5928.880304575489,5015.333192913156,3734.4088489365067,2254.7254429349823,1061.4246313942745,279.75369987837234,173.63075200000003,171.51262800000003,312.366956,412.6640079999998,369.9344999999999,306.722504,226.52304400000014,123.32735999999997,60.46617599999999,27.27931047758398,35.31067263600001,49.44268478449005,51.58664938522507,43.898959240376065,34.606149163282,23.70582700667798,12.016620718188005,4.001516143641,4031.694210820485,3396.131957344651,6803.082927041141,9546.238538264626,8622.036339298778,7143.172872199782,5726.208177752479,3137.747110568388,1664.258868218241,70.77777777777777,53.83333333333333,84.91666666666669,111.16666666666667,107.25,87.0,43.0,24.0,9.0,53.419744666666595,54.586175086956516,33.36310267441857,23.116666070175384,22.03806723529407,14.221256047619049,8.717830575757596,4.713072,1.016064,153.264541671023,202.03886038065414,139.1699999324656,104.01544393992087,98.33986652770895,88.91449640325015,68.32501342227219,58.96803507745969,31.08374443093026,7.234614666666668,7.457070782608697,7.2643478139534885,7.239719438596488,7.253617647058822,7.302916761904762,6.864334666666671,6.851519999999998,6.718463999999999,1.136637936565999,1.5352466363478263,1.1498298787090708,0.905028936582896,0.8607639066740405,0.8239559324590952,0.718358394141757,0.6675900398993336,0.444612904849,167.98725878418688,147.65791118889786,158.21123086142188,167.47786909236186,169.05953606468194,170.0755445761853,173.5214599318933,174.319283920466,184.917652024249,2.949074074074074,2.3405797101449273,1.974806201550388,1.9502923976608189,2.1029411764705883,2.0714285714285716,1.303030303030303,1.3333333333333333,1.0,0.22983631257465292,-0.11152596130681701,-0.006215373247213295,-0.0014948366255937429,0.026502838226497648,-0.05503495535314737,0.02980174588786772,-0.0017160631106854854,0.004764449241765052,719.4334713333333,-66.68627802777718,-165.96676247222172,-42.75752475000013,1.0888070833332222,-329.05164116666674,99.90516591666619,11.46699549999974,132.28450224999972,1116.2736328932049,-77.08945915961652,-398.4110344411347,-80.24565636671616,-12.900726741034614,-287.564986302599,115.36505846940882,-20.939582402050203,203.64957049714053,1.1030393333333326,-0.0851666944444428,-0.0046008055555547545,-0.13243374999999932,-0.12146391666666581,-0.4614421666666655,0.12130891666666385,0.060722499999998396,0.07155624999999885,4.928582617861332,-0.2381160221551012,-2.0630619665428807,-0.4492731782830006,-0.19421188966666933,-0.4772653573646699,0.3512879082326614,-0.1941514190000033,0.8005006158489963,27.133886145623816,-1.1396930720233833,-11.693476319046557,-2.661942598298092,-1.3569408514036319,-1.3521120534031894,1.6661100372342466,-1.2044708813593616,4.175582665488075,24.48148148148148,-3.651234567901232,-0.6543209876543201,-3.879629629629634,1.4629629629629635,-9.75925925925926,2.490740740740735,0.3888888888888866,1.3611111111111092,0.009576513023943871,-0.004848954839426827,-1.4454356388868126E-4,-2.6225203957784964E-5,5.196634946372088E-4,-0.0013103560798368421,9.030832087232643E-4,-9.533683948252696E-5,5.293832490850058E-4,29.976394638888888,-2.8994033925120513,-3.8596921505167843,-0.750132013157897,0.021349158496729848,-7.834562884920636,3.027429270202006,0.6370553055555411,14.698278027777747,46.5114013705502,-3.3517156156355012,-9.265372893979876,-1.4078185327494064,-0.25295542629479634,-6.846785388157119,3.4959108627093585,-1.1633101334472336,22.627730055237837,0.045959972222222194,-0.0037028997584540348,-1.0699547803615707E-4,-0.0023233991228070057,-0.0023816454248365847,-0.010986718253968226,0.0036760277777776926,0.0033734722222221332,0.007950694444444316,0.20535760907755551,-0.01035287052848266,-0.04797818526843908,-0.007881985583912291,-0.0038080762679739083,-0.011363460889634998,0.010645088128262467,-0.010786189944444628,0.0889445128721107,1.1305785894009923,-0.04955187269666884,-0.27194130974526876,-0.04670074733856302,-0.026606683360855525,-0.032193144128647364,0.05048818294649232,-0.06691504896440897,0.46395362949867497,1.0200617283950617,-0.15874932903918398,-0.01521676715475163,-0.0680636777128006,0.02868554829339144,-0.23236331569664903,0.07547699214365865,0.021604938271604812,0.15123456790123435,-0.506338249350586,-0.015093548510536485,-0.002738491963851024,0.054264375074508805,-0.1368301882491673,0.0943018827902507,-0.009955276961891983,0.05527933265076804,-0.09672288570522773,-0.12875771743108624,-0.02502409052837655,7.121990070491406E-4,-0.2613577442951303,0.10099377549141518,0.021251898810041633,0.49032841356810203,-0.07206223671767756,-0.19920648746237232,-0.030268245876607796,-0.005438568154064716,-0.14720660282002002,0.07516244962945531,-0.025011289687431583,0.4864985656950152,-0.08056792855639801,-0.0023280144191302077,-0.05055266594968947,-0.051819992695405305,-0.23904971484417079,0.07998324629100384,0.07340022326190657,0.17299171561727056,-0.050413863771528365,-0.2336323717633448,-0.03838175570565576,-0.01854363364025994,-0.055334988270843495,0.05183683320077141,-0.0525239361370394,0.43312012285125434,-0.043828773303519405,-0.2405328672368984,-0.04130694475941402,-0.02353368762710462,-0.02847492817434661,0.04465694240083051,-0.059186552435830375,0.4103683139307359,-0.15562717884628022,-0.014917496393765594,-0.06672505772752615,0.02812138471122187,-0.22779338664361357,0.07399257323614343,0.02118003025718596,0.14826021180030236,1.442561156922833,0.7531671578626099,1.0553662580649816,1.2460102323501336,1.6764074245756826,0.4235850656415217,0.13028266915405806,0.0,1.4293360275470908,1.2204909846769967,1.0079343973592292,0.97473327430432,1.2504058749163554,0.5864290651481613,0.6450719716629774,0.0,1.5653899874158759,1.3849253780409,0.9679468015926974,0.8999175884419922,1.0063521812233795,0.7028159606244062,0.7730975566868469,0.0,1.0462219842266134,0.8170074462474979,1.222199485116419,1.346594967921611,1.7739940716183935,0.07492630966922299,0.0824189406361453,0.0,1.6098004675905848,1.4480599092157456,0.9710454094008782,0.9011042418833498,0.9006909637628988,0.7116115151363048,0.7827726666499352,0.0,1.6135370244008742,1.4566857738895358,0.9769639636438775,0.9101745960328331,0.8826938980011436,0.702124358335345,0.7723367941688796,0.0,1.1323751891074127,0.8150705414628997,1.23067123178597,1.2679985761324195,1.7783120812621567,0.07829046898638427,0.1565809379727685,0.0,38.040876008174834,19.145438004087413,29.243272683132027,38.22837600817483,4.778547001021853,19.145438019705733,0.24999999999998934,7.3263198256642E-17,9.15789978208025E-18,-29.721978608998594,3000010.709919444,375001.3387399305,11.931301133279328,38.043895647100086,19.14658061309938,29.244415292143994,38.23084483142409,4.778855603928012,19.14658062869736,0.24926557909867597,5.5129126137156337E-17,6.891140767144542E-18,-29.949482793893054,3000010.709919444,375001.3387399305,11.931301133279328,40.80535422440357,20.203179873172772,30.301014552217385,40.50610836586005,5.063263545732506,20.203179878191506,-0.3989944780580288,2.6337246966194838E-17,3.2921558707743547E-18,-30.540438001733754,3000010.709919444,375001.3387399305,11.931301133279328,38.047065072923715,19.147779936571318,29.245614615615935,38.23343617308791,4.779179521635989,19.14777995214798,0.2484948002189249,1.2756402046997346E-16,1.5945502558746683E-17,-29.27833065118556,3000010.709919444,375001.3387399305,11.931301133279328,43.88094187042309,21.399323803041966,31.497158482086576,43.069221172168724,5.3836526465210905,21.399323804528414,-1.0822942643391542,1.264577360906504E-16,1.58072170113313E-17,-29.285298818879973,3000010.709919444,375001.3387399305,11.931301133279328,38.358397526821946,19.265765856350118,29.36360053539473,38.48824816623066,4.811031020778833,19.265765869984122,0.17313418587829332,4.89707595283819E-16,6.121344941047738E-17,-28.202178564183715,3000010.709919444,375001.3387399305,11.931301133279328,42.15065676281223,21.36501092108865,33.57851692104876,42.58518057233604,5.323147571542005,21.36501092294215,0.579365079365072,2.7435101030907494E-17,3.4293876288634367E-18,-30.50776673666661,3000010.3007349847,375001.2875918731,11.931301024163854,0,11.889999999999988,15.994916388947782,-0.3924908522209247,0.055137026534628,4.896114915964487,7.4837583739573565,7.0,23.0,23.0,23.0,7.0,0.0,0.0,0.0,0.0,0.0,17.491311999999997,3.516316588045884,3.1587260666029584,2.801959364380799,2.1839200199769646,2.044737641531689,1.4596632821867912,1.3321498097740467,0.8591512930948676,1.8869705253702562,1.708882991144499,1.3939736496896413,1.091617933399053,0.8017330352022967,0.6225257602543438,0.5627104997981972,0.2847961331451637,3.513967201428139,3.1972402575009764,2.791487991421315,2.2533236133568284,1.9228160247669315,1.4653539824096204,1.442861713321142,0.9435749266616315,1.8425606404655757,1.6317336011836372,1.3311049519474165,0.9757096246993565,0.7582889956150723,0.48922671552278973,0.47324065261713993,0.14665020925523778,3.653835629605284,3.3647010139811853,3.031837844776684,2.5460030836898957,2.3620197932036557,1.9484268911724727,1.8849439206309055,1.4947050522094447,1.6536345006030664,1.3976618505360217,1.0268391932696495,0.6015651512168518,0.2755357015593702,0.035334263858761705,0.06316184201049253,0.45227725869586394,3.5267466594381283,3.225530554953652,2.8127155447430114,2.303876515065052,1.9307475310345523,1.5220494180320205,1.4953588179766613,1.0152580068882002,1.8154217543238507,1.5819570346906138,1.2926148429703246,0.8990644770566043,0.7368281867591684,0.4151109484063169,0.3726032397765654,0.044225079117898664,3.7042418748566512,3.4447908655003965,3.112718386380169,2.679762813132366,2.4552326551564825,2.1096987133442195,2.0748447245676997,1.7026967825815196,1.603546496138979,1.3226200741067522,0.9438404444512511,0.47404033167605375,0.16237822046432737,0.21661243465588895,0.2201964714686049,0.6561745020852848,4.373967337457261,3.3965280774246773,3.3130569282684514,2.7313794532740485,2.4265715962874332,1.8263411950847401,1.6478909455619248,1.265596920909306,1.7477356062230642,1.4842325019471776,1.0820304574780095,0.7467579131611626,0.3869887474359792,0.21535258442123112,0.01858230186866154,0.3474064817968658,0,0,0,0,0,2,5,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.12909944487358055,0.0,0.0,0.0,0.4082482904638631,0.5525858577612696,0.2886751345948129,0.18257418583505536,0.24712390827184563,0.12909944487358055,6.405777393935816,3.808060412490447,2.682521984712165,1.5629488288431146,1.1299361269508954,0.2886751345948129,0.14433756729740646,0.0,0.800722174241977,0.5440086303557782,0.38321742638745215,0.26049147147385243,0.22598722539017907,0.14433756729740646,0.14433756729740646,0.0,5.852990989435774,3.488909033047982,2.2311737754545495,1.2437974494006498,0.8107847475084307,0.2886751345948129,0.14433756729740646,0.0,0.7316238736794718,0.4984155761497117,0.31873911077922135,0.2072995749001083,0.16215694950168613,0.14433756729740646,0.14433756729740646,0.0,12.049421534703852,23.433357611070644,22.152941176470595,22.48,13.868675449101792,185.63786706586828,0.5020592306126604,0.9763899004612768,0.9230392156862748,0.9366666666666666,0.577861477045908,7.734911127744511,1.9475000000000011,35.82279999999999,19.542023050081422,29.63985772912603,39.08404610016285,4.885505762520356,19.54202306014796,1.783642399735795E-17,2.2295529996697437E-18,-30.85223121232964,3000010.709919444,375001.3387399305,11.931301133279328,61,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,4.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5227777777777778,0.0,9.049166666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5227777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0772222222222223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.192222222222222,0.0,4.128981481481482,0.0,0.0,0.0,-0.0370370370370372,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.049166666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5227777777777778,0.0,9.049166666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5227777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.24000000000000002,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.096111111111111,0.0,0.9661111111111111,0.0,0.0,0.0,-0.0370370370370372,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.049166666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5227777777777778,0.0,9.049166666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5227777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.096111111111111,0.0,1.0983796296296298,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.049166666666666,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.333333333333332,2.1666666666666665,0.5227777777777778,9.049166666666666,0.24000000000000002,-0.0370370370370372,3.785468333333333,1.3703703703703705,3.049166666666667,6.482777777777777,1.3703703703703705,3.049166666666667,6.482777777777777,3.83333,0.47917,0.0,0.02083,0.46528,0.79583,0.42308,0.46528,0.74074,0.0422,0.0,-0.0422,0.05509,0.60209,0.1122,0.0,0.34783,0.13043,0.0,3.75,0.46875,3.75,0.46875,0.0,0.0,-3.75,-0.46875,0.0,0.0,7.59829,0.94979,8.49821,0.89992,0.11249,3.52648,0.44081,3.80805,0.28157,0.0352,0.10595,0.01324,0.10595,0.01324,0.0,7.01,1,1,1,1,1,1,1.0,1.0994839817876882,1.7264892117991657,2.6887218755408675,3.0220552088742005,3.0220552088742005,2.8310151046774856,26.387615562904518,41.43574108317998,64.52932501298082,72.52932501298082,72.52932501298082,67.94436251225966,0.23980217539723678,0.3765547071601154,0.5864217810108513,0.659123211672695,0.659123211672695,0.6174565450060284,3.4854785189334687,2.8584732889219913,1.8962406251802895,1.5629072918469564,1.5629072918469564,1.7539473960436713,0.24305712897675427,0.3816658705176814,0.5943815740029139,0.6680698171554151,0.6680698171554151,0.625837588205635,9.670323248283523,14.72268505693952,17.524476383399783,17.860418060733117,17.860418060733114,15.567936810372535,29.54361367989457,23.147338176987482,21.038095837900663,20.258145836939114,20.258145836939118,19.111905211758828,8.0,5.142857142857143,5.0,8,0,7,2.12,1.1536000000000002,0.16666666666666669,3.1810829150682025,0.6666666666666667,0.0,2.94168275343288,2.8284271247461903,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.403,0.395,0.41000000000000003,0.19,3.889,7.0,6.0,5.0,2.0,1.0,0.0,0.0,0.0,0.0,36.0,2.0794415416798357,2.0794415416798357,1.9459101490553132,1.791759469228055,1.0986122886681098,0.6931471805599453,0.0,0.0,0.0,0.0,3.6109179126442243,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.5714285714285714,7.0,1.0,0,3.0,6.0,1.0,1.5,0.666666666666667,0.375,0.08000000000000002,0.05555555555555555,0.0,0.0,0.0,0.0,0.0,0.21428571428571427,0.09523809523809527,0.0625,0.016000000000000004,0.027777777777777776,0.0,0.0,0.0,0.0,0.0,0.41580158730158734,19.542023050081422,29.63985772912603,39.08404610016285,4.885505762520356,19.54202306014796,1.783642399735795E-17,2.2295529996697437E-18,-30.85223121232964,3000010.709919444,375001.3387399305,11.931301133279328,20.23,138.4185777824279,4.0,3.367295829986474,4.007333185232471,4.709530201312334,5.3706380281276624,6.0844994130751715,6.75110146893676,7.467942332285852,8.13593277200489,8.85352256068954,69.74779579165116,2.70805020110221,0.0,3.7612001156935624,0.0,4.990432586778736,0.0,6.304448802421981,0.0,7.656810091480378,7.962415680121064,116.120115132,4.8383381304999995,14.658474095218857,1.832309261902357,2.45112371704284,2.45112371704284,0.0,75.0,6.0,2.238,28.0,1.225086956521739,2.1238231338299274,2.850397895599518,3.530951748848078,4.720752198730618,5.694641947825717,7.181792239762858,8.14971445718844,0.0,0.0,78.47908308260867,79.4895955756134,75.66372825545436,96.70730916917739,79.3479426992464,60.316517374981764,36.176142959429185,8.280631470228712,0.0,0.0,273.36125480220323,316.8649399814338,321.8652240438044,401.3545802648974,460.9257992836086,432.7480883428866,441.05365575911884,253.32364137230303,0.0,0.0,9.161889003130433,15.507885542275073,20.71321966696652,25.70713754936554,34.58847805519786,39.24203557265898,49.28997252326246,54.75356319090007,0.0,0.0,2.0198737642722606,2.5629727569606517,2.7241585333379823,3.3850059138332633,4.160760990281605,4.397442821703845,4.934891604025718,3.6234682185004434,0.0,0.0,178.45472587403864,332.6487495163415,474.2393822893288,585.107761809429,793.9469791836619,976.4204598851168,1245.2515665458566,1507.026062091363,0.0,0.0,2.919456521739131,4.360631086690332,5.700356978515496,7.7156771954106365,9.998765577886042,7.762996287084589,9.785607938757542,8.14971445718844,0.0,0.0,0.4353394173913045,0.5696598954567136,0.6227056141227725,0.7795972893916614,0.9572891493622591,0.9618716285814073,1.0937005655333847,0.8345307604160962,0.0,0.0,402.0667546680297,275.2668387263089,15.84819339997911,161.96050592838478,-110.88297141659955,-17.471187427265626,240.10624873964494,386.14981014290845,33.319380827244736,0.7128498616234891,0.4880381817631223,0.028098275574873616,0.2871501383765109,-0.1965915110190765,-0.03097578547673603,226.77661021229946,155.25800097983503,8.938813108792393,91.35014048359622,-62.54101861489518,-9.854225983967149,0.3069080779324264,0.5732630237243679,8.527530754604781,13.485176932702183,512.7184257662896,51.30883483012498,0.9090312855164662,0.09096871448353386,470.1693137782042,21.683387968170567,7.775913610258753,633.5057870689743,25.16954085931991,8.588490946317261,788.3090593519923,28.076842047352695,9.23773513259693,2.256871868548659,2.256871868548659,719.2581537353343,668.8585932271566,87.94841809476907,1.0753515930250763,8.178181817440942,7.605123636293562,4.342508652267511,4.466158665423347,8.836778876532481,0.9786083609044471,4.897845711132668,6.0738844142238015,3.5782807248018975,20.51361598335741,10.140802448418293,0.6842023353421562,4.772280387448805,9.771601018468456,11.085811753707027,1.2069356874313413,2.282682162089557,7.561028204205715,4.322884441387536,0.8602647629638762,2.474850258276829,0.24108105686345987,0.13932910995207265,1.5778104362607236E-19,3.446397419078224E-59,1.4519504420343953E-120,1.1798156019634413E-203,1.8490658661802625E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4309473020034394,6.200672024244147,0.270891247778189,6.295516952130219,0.4750386589151166,0.030415966702151513,0.5117488303522738,0.652739680133342,3.382300523416703,0.045570457987239674,0.01893556351264205,0.3412675308818224,0.1487798829718644,0.8595610268188838,0.1127526279465125,0.0016980199715199876,9.81306313676862E-4,1.1112647912704614E-21,2.4273258818235872E-61,1.022620568239026E-122,8.309537752587714E-206,1.3023122084905E-310,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2717013428840376,5.964453790025613,0.8025796907499649,7.11548976747965,1.104466833698036,0.08297043014119336,1.1742610807958045,1.772853061512854,4.44985078483281,0.1838220222060322,0.17356052277026782,1.2698321073613472,0.6212967891504069,0.8596960052632399,0.4265408019391599,0.017694156127444002,0.01022596837965762,1.1580235914695827E-20,2.529460716669373E-60,1.065649476565307E-121,8.659179006924674E-205,1.357109730046205E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.846124884316982,6.200410240265871,3.536961201271745,19.982362221216874,9.202091780226251,0.6919633897434381,4.439606756668236,9.952444077179827,11.124287453876548,1.1008828001099553,2.0353301829695862,6.926186272132096,3.9330918088501567,0.8602186138988333,2.270681910560425,0.21479892705608863,0.12413972854974938,1.405800692531117E-19,3.0706780530364185E-59,1.2936617036012088E-120,1.0511944604891376E-203,1.647484397030775E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8073529778791297,5.874704134442913,1.1564278809697104,8.129311717275225,1.940539566450948,0.12369591788261268,1.6906370427838706,2.508790353807206,5.157993362114013,0.3080654794972788,0.370995161754071,2.069126670734488,1.058348263584606,0.859791237770757,0.6919379890153549,0.03843390818324413,0.022212169782285754,2.515381983459243E-20,5.494326679911311E-60,2.3147330622456956E-121,1.880889389992962E-204,2.947823679656997E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.095488212593002,6.154159076452535,4.627982777251811,27.03916138471693,14.472433132581488,0.9905240129577889,6.090682880099667,13.36093205393095,13.873418782864006,1.6392905037546157,3.3220120055603073,10.130532636679106,5.91854978745397,0.8604391143491679,3.2984224112470177,0.35159384775844577,0.20319841249619847,2.301088236179779E-19,5.026246737875419E-59,2.1175332631208977E-120,1.7206501745377132E-203,2.6966887877054743E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.3304618108307835,6.414757862073811,2.9841600157012427,17.01708460475423,4.83701961936091,0.6915169282533227,2.5540031472591425,9.715543779276764,11.143763427514582,0.552404128303075,0.8765264259422566,4.249266125112841,1.946029010322779,1.312116045261574,1.4171250756847642,0.09196983289229363,0.0531523680699516,6.019155730025771E-20,1.3147588770012948E-59,5.539015094612183E-121,4.5008536372480765E-204,7.053962344165193E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.1996942418544805,0.8430464105795084,0.5696837675832506,0.835966028929177,0.09788723470479187,0.5411365684852131,0.48134598179227484,0.46506025099405335,8.612424420017238,10.651495184438941,22.72171571710642,0.7539490433937653,1.4875428012715413,5.599270257216489,0.6256946634814406,0.161619511611083,0.8767237506311527,0.097970154487604,0.32726235793568337,0.24444822908498337,0.032987055634414106,6.386584432309013,4.509509309610034,11.462316956275172,0.8150856259467292,0.6046976426550807,6.505158211032698,0.6201196588329834,0.32903865094794843,0.8726699748889476,0.08318933829835522,0.4417314452084479,0.25898041838655095,0.15415532616877256,7.45431652081363,6.378468308410052,15.16011901160702,0.8090049623334213,0.8548671897637715,7.063890565318181,0.860863792511374,0.5546597572676492,0.8330635194171317,0.10152397097561798,0.5209117213959021,0.48865344833584723,0.42488452239403685,8.479414115097205,10.476589950464609,22.328916463482912,0.7495952791256976,1.4344496921257863,6.850307525332685,0.648610262565694,0.40346805544121994,0.8668657366441248,0.08207777694281594,0.4898600882681857,0.29786853512315603,0.24537558225600176,7.902385843339599,7.4687535404587155,17.163820482615247,0.8002986049661873,1.0331042056473434,7.252765829442251,0.8789631151841961,0.5980699700504258,0.830805600487386,0.10068537932831988,0.5491509430083947,0.5188139832421879,0.5068306748067688,8.729798914676874,11.23825653351897,23.780699862219727,0.7462084007310792,1.5747956010573514,7.096107606752008,0.8623752257556259,0.5559730502628734,0.8334188002678352,0.1012836565987372,0.5256739002106068,0.4901823483590513,0.4266575058290938,8.514455882770507,10.544209375212958,22.460946452911298,0.7501282004017528,1.4425137543987518 +UMLCN0469,L,propyladamantane,CCCC12CC3CC(C1)CC(C3)C2,Naphthenes,,C13H22,NREL (2014),IQT,UML,,48.6,0,-0.311599999999999,0.09709455999999937,53.564600000000006,37.549445999999975,0,0,35,13,22,0,13,0,0,0,0,0.0,0.0,0.0,0.0,0.0,1897.7869809999975,2430.317751000001,3861.963359000005,3689.6067790000075,2491.3818839999967,1483.3032539999956,772.1335470000008,202.94366400000004,18.289152,6189.562100221748,8876.959086391358,15131.221049277658,17637.148821462717,13766.968319845759,9167.47379579437,5516.2492308250785,2373.807878607317,559.5073997567447,245.83291600000015,269.6956440000001,560.510780000001,872.3268280000008,959.7652320000033,628.7541360000009,515.9309879999996,247.8522240000002,120.93235199999997,46.03718390667804,66.33147481999998,118.03139159333882,150.06762889577215,127.61711610458056,86.18959145456385,56.433182872752134,26.04003565182897,8.003032287282004,5716.514973703479,5270.611391033801,11687.756461704337,19224.100648569318,23008.83548238841,14767.683899632168,12931.371510543555,6180.10890820273,3328.517736436482,50.895833333333336,64.75,121.95833333333329,179.62499999999997,176.74999999999994,124.75,93.0,46.5,18.0,54.2224851714285,65.68426354054057,49.51235075641032,29.996803081300875,18.053491913043455,16.481147266666618,10.29511396000001,5.637324000000001,1.016064,176.8446314349071,239.9178131457124,193.99001345227765,143.39145383303023,99.76063999888231,101.86081995327079,73.54998974433438,65.93910773909214,31.08374443093026,7.023797600000004,7.289071459459461,7.186035641025653,7.092088032520332,6.954820521739154,6.986157066666677,6.879079839999995,6.884784000000006,6.718463999999998,1.3153481116193726,1.7927425627027023,1.5132229691453696,1.220062023542863,0.9247617109027577,0.9576621272729317,0.7524424383033618,0.7233343236619159,0.4446129048490002,163.32899924867084,142.44895651442704,149.84303156031203,156.29350120788064,166.7306919013653,164.08537666257965,172.4182868072474,171.66969189452027,184.917652024249,1.4541666666666668,1.75,1.5635683760683754,1.4603658536585364,1.280797101449275,1.386111111111111,1.24,1.2916666666666667,1.0,0.043889611268675036,-4.6013133277058096E-4,8.991740158388651E-4,-0.03648591472033309,0.013823162141063038,-0.01763363373156472,0.012338774300818388,-0.005618094512582328,0.011191858205192907,989.2822449714282,95.666854458774,40.22356380652849,-771.6599169567342,115.33390408408317,-468.45133278367257,266.8393667755115,-73.23258177061166,300.6390199004089,1839.612578389078,177.89660098707594,74.7974345059296,-1434.9345666395498,214.46831957842707,-871.1052568995223,496.1991969680822,-136.17911294568495,559.0510952507063,0.19379359999999973,0.018740480000003546,0.00787952000000467,-0.15116287999999645,0.02259311999999685,-0.09176640000000083,0.05227199999999619,-0.014345760000001718,0.058893119999997974,8.223924156194682,0.7952805777419302,0.33437933382333296,-6.414825156000788,0.9587731758520358,-3.894245804232064,2.218241280891644,-0.6087839959780613,2.499218509804604,44.672486539897456,4.319976720341215,1.8163538483248218,-34.845432058294165,5.2080711080983875,-21.15360501489639,12.04952184392895,-3.306924328277872,13.575794610826277,2.279761904761904,-0.5344387755102045,0.48129251700680276,-2.211734693877553,1.6058673469387765,-1.2729591836734693,0.94515306122449,-0.7270408163265304,0.5739795918367349,0.0012539888933907153,-1.2435981966772458E-5,1.1527871997934168E-5,-2.9663345301083813E-4,1.0016784160190608E-4,-1.9592926368405247E-4,1.6451699067757851E-4,-1.5605818090506465E-4,6.217699002884948E-4,28.265206999183665,2.585590661047946,0.5156867154683139,-6.273657861436863,0.8357529281455303,-5.205014808707473,3.557858223673487,-2.0342383825169907,16.70216777224494,52.56035938254509,4.808016242893944,0.9589414680247385,-11.666134688126421,1.5541182578146888,-9.67894729888358,6.615989292907763,-3.7827531373801375,31.058394180594796,0.005536959999999993,5.064994594595554E-4,1.0101948717954706E-4,-0.0012289665040650117,1.637182608695424E-4,-0.001019626666666676,6.969599999999492E-4,-3.9849333333338106E-4,0.0032718399999998875,0.23496926160556236,0.021494069668700815,0.004286914536196576,-0.05215305004878689,0.006947631709072723,-0.04326939782480071,0.02957655041188859,-0.01691066655494615,0.13884547276692244,1.2763567582827844,0.11675612757678959,0.02328658779903618,-0.28329619559588753,0.03773964571085788,-0.23504005572107098,0.160660291252386,-0.09185900911882977,0.754210811712571,0.06513605442176869,-0.014444291230005527,0.006170416884702599,-0.017981582877053277,0.011636719905353454,-0.014143990929705214,0.012602040816326534,-0.02019557823129251,0.031887755102040824,-0.009917138845740702,0.009192961802686667,-0.23655189816614564,0.07987936905171296,-0.15624481581672608,0.1311949344565037,-0.12444941237325645,0.49583365814928715,0.09147609147609007,0.01824457593688267,-0.22195690488373407,0.029568257829127798,-0.18414918414918385,0.12587412587412652,-0.07196969696969642,0.5909090909090926,0.0914760914760916,0.018244575936883643,-0.2219569048837337,0.029568257829127406,-0.18414918414918388,0.12587412587412566,-0.07196969696969695,0.5909090909090904,0.09147609147610891,0.018244575936894467,-0.2219569048837292,0.029568257829123312,-0.18414918414918605,0.12587412587411687,-0.07196969696970569,0.5909090909090714,0.09147609147609455,0.018244575936885412,-0.22195690488373346,0.02956825782912642,-0.1841491841491849,0.12587412587412425,-0.07196969696969856,0.5909090909090876,0.09147609147608053,0.01824457593687681,-0.2219569048837375,0.029568257829129967,-0.18414918414918321,0.1258741258741318,-0.0719696969696915,0.5909090909091039,-0.22175569825700397,0.09473120439177883,-0.2760618990001914,0.17865251447383376,-0.2171453437771976,0.19347258485639698,-0.31005221932114885,0.48955613577023527,1.3442649130905926,1.0924230688888175,1.2664889945332247,0.7793354089039294,1.178395822950829,0.7112660618281919,1.033611584312644,0.0064539082248296405,1.2370062370062382,1.1735700197238674,1.2854625049747015,0.8593037397385234,1.1095571095571108,0.6657342657342663,0.8668414918414925,0.0,1.2370062370062356,1.1735700197238643,1.2854625049746982,0.8593037397385211,1.109557109557108,0.665734265734265,0.8668414918414911,0.0,1.237006237006237,1.1735700197238659,1.2854625049747024,0.8593037397385231,1.10955710955711,0.6657342657342658,0.8668414918414918,0.0,1.2370062370062376,1.1735700197238657,1.2854625049747,0.8593037397385216,1.1095571095571088,0.6657342657342662,0.8668414918414924,0.0,1.2370062370062387,1.1735700197238663,1.2854625049747002,0.8593037397385225,1.10955710955711,0.6657342657342665,0.8668414918414926,0.0,1.62910168654294,0.8444801499631782,1.20113990957142,0.5437336814621406,1.4085291557876418,0.7705483028720626,1.7088772845953006,0.0,67.98681567344163,33.99340783672081,48.256872639537605,67.98681567344163,5.229755051803202,33.99340783672083,0.0,0.24083527684241834,0.01852579052633987,-1.8507347010909956,220.3939692913703,16.95338225318233,7.014041728645324,67.98681567344163,33.99340783672081,48.256872639537605,67.98681567344163,5.229755051803202,33.99340783672083,0.0,0.24083527684241834,0.01852579052633987,-1.8507347010909956,220.3939692913703,16.95338225318233,7.014041728645324,67.98681567344163,33.99340783672081,48.256872639537605,67.98681567344163,5.229755051803202,33.99340783672083,0.0,0.24083527684241834,0.01852579052633987,-1.8507347010909956,220.3939692913703,16.95338225318233,7.014041728645324,67.98681567344163,33.99340783672081,48.256872639537605,67.98681567344163,5.229755051803202,33.99340783672083,0.0,0.24083527684241834,0.01852579052633987,-1.8507347010909956,220.3939692913703,16.95338225318233,7.014041728645324,67.98681567344163,33.99340783672081,48.256872639537605,67.98681567344163,5.229755051803202,33.99340783672083,0.0,0.24083527684241834,0.01852579052633987,-1.8507347010909956,220.3939692913703,16.95338225318233,7.014041728645324,67.98681567344163,33.99340783672081,48.256872639537605,67.98681567344163,5.229755051803202,33.99340783672083,0.0,0.24083527684241834,0.01852579052633987,-1.8507347010909956,220.3939692913703,16.95338225318233,7.014041728645324,74.35790247262521,36.901237641618934,52.52249034088074,74.27488965211239,5.713453050162492,36.901237641618934,-0.15416666666665435,0.18001827412530283,0.013847559548100217,-2.2291059834246845,234.43915521634676,18.03378117048821,7.094354914648077,0,11.899999999999999,12.100243784103453,-0.14228806714488604,0.057996951189842605,5.583433724652883,10.979130631619936,15.0,37.0,37.0,37.0,15.0,0.0,0.0,0.0,0.0,0.0,24.050553999999995,3.8860068327390382,3.301604304008298,2.9485687516182466,2.948568751618245,2.8748095992933944,2.155344888175149,2.0285008839420438,2.0285008839420398,2.1497854766749507,1.761181721564644,1.4376860899769717,1.4376860899769714,1.4167621366297083,1.0580018942378688,0.9445778134233508,0.9445778134233505,3.903270585504746,3.3313256548567467,2.979916238714478,2.9799162387144773,2.911599383446951,2.2240425480121067,2.095899224579099,2.0958992245790973,2.109735783847887,1.6926234233811388,1.3642393094039462,1.3642393094039462,1.3386299868533786,0.942411875741312,0.8249853226861612,0.8249853226861605,3.9797617962841945,3.4650847059512353,3.1215524247583186,3.1215524247583164,3.0735375705019905,2.514508899946839,2.3864507424367707,2.3864507424367707,1.9951891876244567,1.492263231595508,1.1504345833021836,1.150434583302179,1.105799166631588,0.569761522335805,0.4425323156341514,0.4425323156341471,3.916012542615271,3.353406362667365,3.0032355913248314,3.0032355913248265,2.938729509405371,2.274130526236294,2.145396886414367,2.145396886414362,2.0845492343090264,1.6490067064849616,1.317578827110786,1.3175788271107836,1.2885761399796112,0.8660071089503605,0.7461196409053853,0.7461196409053847,4.017513959694334,3.5315912847550774,3.1922837519516514,3.1922837519516496,3.1521538383360403,2.6475695642608943,2.5218418376969685,2.5218418376969676,1.960266954623405,1.430786234051214,1.0851514801824043,1.085151480182404,1.0325367567629609,0.44299270780911465,0.3141970147348818,0.31419701473488143,3.908589168355178,3.4623356550945252,3.0375403391200204,3.032516857644205,3.0325168576442043,2.4550196337545196,2.268411426405357,2.268411426405357,2.0730847490639874,1.5335887924532052,1.2508063136713365,1.2508063136713357,1.15944644745295,0.6546563555364234,0.5800997380936694,0.5800997380936682,0,0,0,0,0,1,8,3,1,0.0,0.0,0.0,0.2448180770406141,0.6443375672974064,0.0,0.0,0.0,0.2448180770406141,0.6443375672974064,1.3194792168823422,0.125,0.0,0.0,1.3194792168823422,0.125,0.0,0.0,2.3068516525781364,4.972695485420115,6.595134237861102,2.3068516525781364,4.972695485420115,6.595134237861102,8.88890505706126,6.295554957734411,6.167555428235659,4.945393595351008,5.126522307793101,4.030569234820763,3.1492736942482993,1.9025914962699342,0.6837619274662508,0.41970366384896074,0.268154583836333,0.15952882565648413,0.10680254807902294,0.0639772894415994,0.04373991242011527,0.026424881892637975,8.88890505706126,6.295554957734411,6.167555428235659,4.945393595351008,5.126522307793101,4.030569234820763,3.1492736942482993,1.9025914962699342,0.6837619274662508,0.41970366384896074,0.268154583836333,0.15952882565648413,0.10680254807902294,0.0639772894415994,0.04373991242011527,0.026424881892637975,18.960105841644605,33.766205389657685,31.980392156862756,32.359999999999985,21.784099401197622,266.79619520958084,0.5417173097612744,0.964748725418791,0.9137254901960787,0.9245714285714282,0.6224028400342178,7.622748434559453,4.002900000000003,55.51300000000005,88.25910340897221,112.90976451920505,176.51820681794442,13.57832360138034,88.25910340897221,0.16499976261212318,0.012692289431701783,-2.3423546169360954,75.0613684669775,5.773951420536731,5.613797832736254,141,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,8.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3735983560090705,0.0,12.573484977324265,0.0,0.0,0.0,3.452222222222222,0.0,0.0,0.0,0.0,0.0,0.8506944444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3735983560090705,0.0,1.4227777777777777,0.0,0.0,0.0,1.1507407407407406,0.0,0.0,0.0,0.0,0.0,0.8506944444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3735983560090705,0.0,1.605,0.0,0.0,0.0,1.1507407407407406,0.0,0.0,0.0,0.0,0.0,0.8506944444444444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.25,1.4807692307692308,0.2,2.3735983560090705,-0.0,0.8506944444444444,8.761428832199547,0.3993055555555555,0.37359835600907043,2.0486111111111116,0.3993055555555555,0.37359835600907043,2.0486111111111116,6.5,0.5,0.0,0.0,0.44857,0.7,0.44857,0.44857,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.07692,0.23077,0.07692,7.5,0.57692,7.5,0.57692,0.0,0.0,-7.5,-0.57692,0.0,0.0,16.74855,1.28835,16.74855,0.0,0.0,6.29554,0.48427,6.29554,0.0,0.0,0.11846,0.00911,0.11846,0.00911,0.2857142857142857,69.0,0,0,0,0,0,0,1.0,0.9517626756348312,1.5046434994539948,2.5287244452691415,3.2640198022265583,3.449454802102932,3.4494548021029314,33.311693647219094,52.66252248088982,88.50535558441996,114.24069307792954,120.73091807360261,120.7309180736026,0.1855547203167797,0.29334382495239464,0.4929976444885792,0.6363501080840397,0.6725023342848119,0.6725023342848118,4.177520341310135,3.6246395174909716,2.600558571675825,1.865263214718408,1.6798282148420345,1.679828214842035,0.18269914496488107,0.2888294402213802,0.48541070776316325,0.6265570633114758,0.662152928532161,0.6621529285321609,6.792902879027634,13.427472764857598,17.991231294303272,19.751447342874407,19.938333377558735,19.938333377558735,50.65871947908687,39.85135598192013,32.24054575182394,28.727636258950856,27.923023618018266,27.923023618018266,8.32,2.7448015122873346,1.2486992715920915,3,0,3,2.8899999999999997,1.6145000000000007,0.0,2.2278298667562564,0.5999999999999999,0.33333333333333337,10.736663183224993,11.651802520975762,4.858931393520616,1.5000000000000004,1.5000000000000004,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.148,0.17099999999999999,0.381,0.5980000000000001,6.233,23.0,31.0,48.0,63.0,72.0,72.0,66.0,18.0,12.0,433.0,2.772588722239781,3.1780538303479458,3.4657359027997265,3.8918202981106265,4.1588830833596715,4.290459441148391,4.290459441148391,4.204692619390966,2.9444389791664403,2.5649493574615367,6.073044534100405,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,4.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,4.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.13333333333333333,3.0,0.2,1,3.0,6.0,1.0,4.5,0.6666666666666667,1.3125,0.4533333333333335,0.2708333333333333,0.12000000000000001,0.0,0.0,0.0,0.0,0.3,0.028985507246376815,0.06907894736842106,0.03777777777777779,0.04513888888888889,0.04,0.0,0.0,0.0,0.0,0.5209811212814646,33.99340783672081,48.256872639537605,67.98681567344163,5.229755051803202,33.99340783672083,0.24083527684241834,0.01852579052633987,-1.8507347010909956,220.3939692913703,16.95338225318233,7.014041728645324,0.0,196.33488273466685,4.700439718141093,4.343805421853684,5.220355825078324,6.1675164908883415,7.060476365999801,8.01532730902172,8.911799556189527,9.868223003435817,10.7655121544701,11.722270249692837,100.07528637663016,3.4339872044851463,0.0,4.812184355372417,0.0,6.437751649736401,0.0,8.191740021277457,0.0,10.00247278922055,10.184145010050944,178.172150704,5.090632877257143,27.24950847200042,2.0961160363077247,0.0,0.0,0.0,214.0,19.0,6.51,76.0,1.274921157557288,2.199841728037588,2.9503601843758567,3.629797166132796,4.520327327164533,5.322112299303893,6.415209241595317,7.3116407570083375,0.0,0.0,96.4659987869263,119.7654491818236,93.32019838601194,73.02067948734886,83.93983895312614,62.650448189989945,38.1578014812789,7.42909495412892,0.0,0.0,335.60487300750583,455.1768605920006,439.13403233681703,385.1626045668153,489.0191596140271,421.3368618749054,438.04658585400836,227.2731726616206,0.0,0.0,9.333705613677635,15.862297140058782,20.969984271422486,25.30352040649453,31.650986206112414,36.709030713975544,44.23906516354659,49.12299520689325,0.0,0.0,2.446904388599629,3.494603160854182,3.7048021918917793,3.5024455710861098,4.508268154296799,4.209747459083591,4.7605559392978325,3.2508498361858176,0.0,0.0,179.0763775103811,325.88792358513484,457.6930763679958,600.861966335748,736.4984651963604,910.1538559971455,1095.583036877568,1352.0514412307843,0.0,0.0,2.2802356171906037,3.5169506031154585,4.362230255435546,4.736240082931275,6.38619570936081,6.768303403281623,8.417538086324258,7.3116407570083375,0.0,0.0,0.5037178808557043,0.7268493917623391,0.7836328102839769,0.7521186482876324,0.968782969380416,0.9185336026796409,1.0494511069639356,0.7487120135176537,0.0,0.0,395.69707738810604,234.35206434256247,10.591082894219594,41.79525778950648,-24.75329109669796,-2.1163535343927036,353.90181959859956,259.10535543926045,12.707436428612297,0.9044663084839223,0.5356712460971929,0.02420861359758415,0.09553369151607763,-0.05657994233578664,-0.004837464257593242,173.114438409479,102.52723188292177,4.633517587451798,18.28510492968149,-10.829375125225598,-0.9258884498228577,0.05084299977245436,0.11018828207240011,1.1629928391421074,1.0395818633405909,437.4923351776126,0.0,1.0,0.0,948.2332368496948,30.79339599410391,9.82437786519938,1161.348030649023,34.07855675713135,10.511244282871049,1929.43817358146,43.925370500218435,12.449262438269406,1.574382692043771,1.4789760780605843,881.7144288792878,874.3804057734794,309.49754613593166,1.008387680073092,2.8488575754071985,2.825161028544797,4.677145886757055,4.466158665423346,8.370462002281771,0.8741971858468082,6.1358123533357345,11.451734035618378,9.25582383728579,46.81437351884128,9.184347433871137,28.648946628109602,25.51102207830833,21.543335509666605,19.243141495418328,9.041458871875328,10.971814563619136,7.585589376770776,4.3674882204673136,3.0600113685852106,1.1653893096529695,0.2097195872335342,6.1405414678977896E-18,3.8929089225980387E-56,4.7610212188672545E-116,1.1230575793650034E-197,5.109516834493107E-301,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5149363756574956,11.448720561957648,0.7410471233985837,19.92255393370245,4.992771303943587,5.20209622376028,2.859436559512721,1.3725942141405019,0.7502272369093475,0.9977581785680422,1.4465692940732355,0.39916381515573557,0.20648173967956301,0.05134769507034065,0.008409234779001764,0.0014770722006676473,4.3248335641528645E-20,2.7418075846666365E-58,3.353226173073996E-118,7.909786358591011E-200,3.598674484643624E-303,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6622769955251935,11.448922794213772,2.415733451317273,22.62729171352602,5.39325241376895,9.412345166567514,6.218511933459564,4.459344228127024,2.775624902943029,2.0144792166279077,2.6315236948403937,1.4243523797368571,0.7710820022325642,0.3011386552765951,0.08605016710100512,0.01539223115960963,4.506810020267777E-19,2.857174897698567E-57,3.4943202074399875E-117,8.242607233385627E-199,3.7500962722598333E-302,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.79170635368565,11.451403488958736,8.712140240033172,44.18302732971316,8.766739679783468,27.00986487517557,23.676936018779557,19.94393040239562,17.49213862853662,8.327864927759423,10.120052562700248,6.989377736375869,4.012019314015751,2.7469312027418944,1.0384795025279807,0.18685637652958487,5.471111896397868E-18,3.4685117638837594E-56,4.2419841907630423E-116,1.0006240841993996E-197,4.5524875101300625E-301,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.4498903621825234,11.449184213519247,3.584166344871123,25.310772005464184,5.8033014057140395,12.473502087238904,8.899896644412925,6.88428653110095,4.685430093560402,2.8980521779497503,3.670424841835284,2.259266250299899,1.243210513102199,0.5807928334901689,0.186417102230831,0.03343398289061454,9.789393593846242E-19,6.206165672447577E-57,7.590130424785029E-117,1.7904044342721523E-198,8.145710216066719E-302,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.4098819862624135,11.453123745776951,11.294290109823848,57.67551240080047,10.913367189725,34.94899463754855,32.80977478942266,27.87915091978596,26.42900863275989,11.934691566258735,14.430518820731194,9.97051855205445,5.798006690942218,4.365553412256698,1.6989541898285219,0.3058563082034404,8.955402633183516E-18,5.6774418019056655E-56,6.943501999455288E-116,1.6378739327861285E-197,7.451750102679499E-301,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.324675699413555,10.80294544947531,5.6697674818418635,32.740670214298014,6.593396422277304,19.090292685181954,15.436242476991806,12.761797277783836,10.482031999206347,5.423790335721727,6.958621027654271,4.395398527404252,2.739148466329678,1.524972884040331,0.5326855873859347,0.09564543158702589,2.800476324708319E-18,1.7754133457083987E-56,2.1713276059735294E-116,5.1218547724792874E-198,2.330263707281052E-301,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.254410719342353,1.4521784778948343,1.4195090665093373,0.6466093011432298,0.17870550303009872,0.4420566055477587,0.44789286577839726,0.44285755665848836,8.126098263746524,17.150406331480646,36.1078444728367,0.4699139517148446,1.3328070279846442,4.088860263651132,0.8890894612177275,0.847880607613693,0.7018502136688132,0.1526116296694245,0.2679258204297811,0.17536854368715948,0.15947617272915382,5.825830332482552,7.856069606196384,16.764253362412685,0.5527753205032198,0.6027705368460944,4.527977103478212,1.100170541336459,1.064433142716117,0.6765666709491897,0.1643865911019304,0.3284325798606207,0.2650635810311694,0.2512624451503801,6.6925807875307886,10.972333906333109,22.96743844511373,0.5148500064237845,0.8447586060421702,5.223030963292721,1.4368819230323426,1.4042693816400205,0.6476826527149789,0.17818073491968894,0.43679985686610956,0.43905522651420303,0.43360995802387114,8.064182267965084,16.857190525249614,35.460244269296446,0.47152397907246846,1.3094650414041837,4.733444704549541,1.1993160642143836,1.1653226063852018,0.6668623703578423,0.1689633667044925,0.35886011412428137,0.3124458659395443,0.3006677859282442,7.098083375149127,12.590476515352622,26.303975451808462,0.5002935555367636,0.97197376599207,5.353561368430317,1.50056694797204,1.4676019486930625,0.6433231068405618,0.18031910434131743,0.45887320121098335,0.47646370843189767,0.47267541580502814,8.32173026509542,18.0925093171509,38.2040396792562,0.4649846602608427,1.408012325447909,5.251965371360936,1.4403488141277547,1.4077332876489375,0.6483869864686779,0.17781979906962475,0.44164712305395726,0.4409452715652143,0.43566465088158457,8.100047473137629,16.985655544797375,35.734729658150286,0.47258047970301686,1.318257045500756 +UMLCN0470,L,1-butyladamantane,CCCCC12CC3CC(C1)CC(C3)C2,Naphthenes,,C14H24,NREL (2014),IQT,PubChem,,49.1,0,-0.5995999999999997,0.35952015999999964,56.4762,40.64303199999997,0,0,38,14,24,0,14,0,0,0,0,0.0,0.0,0.0,0.0,0.0,2044.0832299999972,2598.7960480000015,4055.6718960000053,3886.3635080000095,2688.1386129999983,1922.192000999995,1344.1145819999954,759.9407790000005,202.94366400000004,6675.2464908329375,9529.949220881725,16044.768160939993,18643.94716641784,14773.766664800889,10624.526967627955,7977.136865933702,5143.244297653919,2373.807878607317,266.8103600000002,291.4714240000001,603.2402880000011,935.2117280000008,1022.6501320000035,691.6864680000014,583.6533360000002,435.3094199999998,247.8522240000002,49.71530971637604,71.34746343999997,125.7190817381878,159.08915775516823,136.6386449639768,97.22396888365778,75.49473716365796,51.09782801456411,26.04003565182897,6213.144633841977,5703.650842549601,12611.958660670185,20703.0558036079,24487.790637426988,16257.572880047663,14039.71923922286,10712.359686252566,6180.10890820273,55.145833333333336,70.0,131.20833333333326,192.0,188.2499999999999,134.0,112.75000000000001,81.0,46.5,53.79166394736835,64.96990120000004,48.28180828571435,29.44214778787886,18.286657231292505,19.416080818181765,16.001364071428515,12.062552047619056,5.637324000000001,175.66438133770887,238.2487305220431,191.00914477309516,141.24202398801395,100.50181404626456,107.3184542184642,94.96591507063931,81.63879837545903,65.93910773909214,7.021325263157899,7.2867856000000035,7.181432000000013,7.08493733333334,6.956803619047643,6.986732000000013,6.948254000000002,6.9096733333333304,6.884784000000006,1.308297624115159,1.7836865859999993,1.4966557349784262,1.2052208920846077,0.9295145915916788,0.9820602917541189,0.8987468709959281,0.8110766351518113,0.7233343236619159,163.50380615373624,142.59127106374004,150.14236500797838,156.8413318455144,166.58360977841488,164.21790787926932,167.1395147526531,170.03745533734232,171.66969189452027,1.4512061403508774,1.75,1.5620039682539673,1.4545454545454546,1.2806122448979584,1.3535353535353536,1.3422619047619049,1.2857142857142858,1.2916666666666667,0.048118243500117334,-4.362065018810148E-4,-0.001159688306178879,-0.037007193659468016,0.010909967100239868,-0.004627164508668683,-5.265087353937899E-4,0.0032221711647365987,-0.005626252227413421,1070.4783953684207,96.5845168753446,4.024354869803993,-761.9445220166238,108.99294439058355,-227.37605014404312,-34.2070163933504,60.365323047092545,-77.46883124376649,1990.600287252072,179.60303343627726,7.483459726511498,-1416.868374886188,202.6770342596867,-422.8154745479037,-63.60940767534798,112.25189589767433,-144.0565997353467,0.2096993684210523,0.018920243767316332,7.883434903090012E-4,-0.14925970083102197,0.021350969529083004,-0.04454140720221707,-0.006700919667591907,0.01182515235456847,-0.015175612188367127,8.898909466033265,0.8029091247549038,0.033454546864815526,-6.334060873066268,0.9060606442546228,-1.8901818978604519,-0.2843636483506986,0.501818202971786,-0.644000027147155,48.339017455759446,4.361415108789731,0.18172562953215787,-34.40671919156879,4.921735799850622,-10.267498068610443,-1.5446678510295868,2.7258844429943383,-3.498218368508649,2.446820175438597,-0.5339335180055399,0.3982571560480155,-2.0767832409972273,0.8438798476454287,0.14512638504155156,-0.3956024930747932,0.556916551246537,-0.7292243767313024,0.0012662695657925614,-1.090516254702537E-5,-1.3805813168796178E-5,-2.8035752772324256E-4,7.421746326693788E-5,-4.673903544109781E-5,-6.267961135640356E-6,5.1145574043438075E-5,-1.5628478409481726E-4,28.17048408864265,2.414612921883615,0.04790898654528563,-5.772306984974422,0.7414486012964867,-2.296727779232759,-0.4072263856351238,0.9581797309062309,-2.1519119789935135,52.38421808558084,4.490075835906931,0.08908880626799402,-10.733851324895364,1.3787553350999096,-4.270863379271755,-0.7572548532779522,1.78177612535991,-4.001572214870742,0.0055184044321329555,4.730060941829083E-4,9.385041551297634E-6,-0.001130755309325924,1.4524469067403405E-4,-4.4991320406279864E-4,-7.977285318561793E-5,1.8770083102489637E-4,-4.2154478301019795E-4,0.23418182805350699,0.020072728118872597,3.982684150573277E-4,-0.04798530964444143,0.0061636778520722645,-0.019092746443034866,-0.003385281527984507,0.007965368301139461,-0.017888889642976528,1.2720794067305117,0.10903537771974328,0.002163400351573308,-0.26065696357249085,0.03348119591735117,-0.10371210170313579,-0.01838890298844746,0.04326800703165616,-0.09717273245857358,0.06439000461680519,-0.013348337950138497,0.004741156619619232,-0.015733206371191116,0.0057406792356831885,0.0014659230812277936,-0.004709553488985633,0.008839945257881541,-0.02025623268698062,-0.008612038733000583,-0.010902744203723386,-0.22140430070888267,0.058611108781158286,-0.0369108100705585,-0.004949942180531855,0.0403907472982863,-0.12342141698477781,0.08571428571428429,0.0017006802721079562,-0.20490620490620587,0.026320051830256364,-0.08152958152958113,-0.014455782312924584,0.03401360544217752,-0.0763888888888881,0.08571428571428576,0.001700680272108832,-0.20490620490620512,0.02632005183025577,-0.08152958152958177,-0.014455782312925129,0.03401360544217721,-0.07638888888888858,0.08571428571430086,0.0017006802721181056,-0.20490620490620115,0.026320051830252416,-0.08152958152958348,-0.014455782312929245,0.03401360544217069,-0.07638888888889643,0.08571428571428814,0.0017006802721103084,-0.2049062049062044,0.02632005183025541,-0.08152958152958163,-0.014455782312925757,0.03401360544217588,-0.07638888888889017,0.08571428571427403,0.0017006802721016153,-0.20490620490620887,0.026320051830258203,-0.0815295815295806,-0.014455782312922173,0.03401360544218167,-0.07638888888888325,-0.20730450369706457,0.07363187264598882,-0.2443423706027332,0.08915481944514296,0.022766314274268607,-0.07314106462661261,0.1372875388111775,-0.3145866009410711,1.3557764280051603,1.122491194934033,1.2474473034943623,0.7986798798557239,1.008748299643749,0.9803835962922218,0.8434147740963157,1.0261649629458016,1.2553571428571442,1.1955782312925185,1.2680375180375194,0.8682175251052813,1.0144300144300156,0.8966836734693888,0.7970521541950121,0.8717757936507943,1.2553571428571435,1.1955782312925176,1.2680375180375185,0.8682175251052805,1.014430014430015,0.8966836734693882,0.7970521541950119,0.8717757936507944,1.255357142857143,1.1955782312925176,1.2680375180375207,0.8682175251052815,1.014430014430015,0.8966836734693878,0.7970521541950114,0.8717757936507938,1.2553571428571428,1.1955782312925156,1.2680375180375172,0.8682175251052787,1.0144300144300131,0.8966836734693874,0.7970521541950113,0.8717757936507937,1.2553571428571455,1.1955782312925185,1.268037518037519,0.8682175251052812,1.0144300144300156,0.896683673469389,0.7970521541950131,0.8717757936507953,1.6224288595115386,0.8850975747681991,1.1778002973947403,0.6461426605147991,0.8735053877334851,1.260138920008962,0.9301025361970908,1.7326910150123231,82.54350064677962,41.2717503233898,60.26891995730268,82.54350064677962,5.89596433191283,41.2717503233898,-2.1316282072803006E-14,0.32550009245169387,0.02325000660369242,-1.5713495466252811,368.00485215929837,26.28606086852131,8.271334572616489,82.54350064677962,41.2717503233898,60.26891995730268,82.54350064677962,5.89596433191283,41.2717503233898,-2.1316282072803006E-14,0.32550009245169387,0.02325000660369242,-1.5713495466252811,368.00485215929837,26.28606086852131,8.271334572616489,82.54350064677962,41.2717503233898,60.26891995730268,82.54350064677962,5.89596433191283,41.2717503233898,-2.1316282072803006E-14,0.32550009245169387,0.02325000660369242,-1.5713495466252811,368.00485215929837,26.28606086852131,8.271334572616489,82.54350064677962,41.2717503233898,60.26891995730268,82.54350064677962,5.89596433191283,41.2717503233898,-2.1316282072803006E-14,0.32550009245169387,0.02325000660369242,-1.5713495466252811,368.00485215929837,26.28606086852131,8.271334572616489,82.54350064677962,41.2717503233898,60.26891995730268,82.54350064677962,5.89596433191283,41.2717503233898,-2.1316282072803006E-14,0.32550009245169387,0.02325000660369242,-1.5713495466252811,368.00485215929837,26.28606086852131,8.271334572616489,82.54350064677962,41.2717503233898,60.26891995730268,82.54350064677962,5.89596433191283,41.2717503233898,-2.1316282072803006E-14,0.32550009245169387,0.02325000660369242,-1.5713495466252811,368.00485215929837,26.28606086852131,8.271334572616489,89.32136645389899,44.38431450511034,64.86285168421398,89.23310114777651,6.3737929391268935,44.38431450511034,-0.15446428571434012,0.24621929055590724,0.017587092182564802,-1.9621458011527195,146.15099774623454,10.439356981873896,6.978496445757717,0,11.899999999999999,12.10026885077819,-0.142288012099551,0.05801947582157149,5.35521476111597,11.136318175870755,16.0,40.0,40.0,40.0,16.0,0.0,0.0,0.0,0.0,0.0,26.236967999999994,3.886635567554805,3.3644973754549206,3.0065233811431527,2.948568751618249,2.9485687516182453,2.4764020876049764,2.028500883942044,2.028500883942041,2.1502012850375802,1.814339306439672,1.5056951864233201,1.4376860899769717,1.4376860899769712,1.2204089110255576,0.9445778134233516,0.9445778134233508,3.9038878056843958,3.3943028216496938,3.038995488611368,2.9799162387144786,2.979916238714475,2.530684057111001,2.0958992245791,2.095899224579098,2.1101884305135568,1.748222871457782,1.4311821211375957,1.364239309403948,1.3642393094039469,1.1212174168221316,0.8249853226861621,0.824985322686161,3.9803235024798926,3.526866401955115,3.184405102940146,3.1215524247583217,3.121552424758317,2.7641033720032837,2.3864507424367702,2.3864507424367702,1.9957388649708365,1.553533138723042,1.2138736977115194,1.1504345833021845,1.1504345833021823,0.8093054894479557,0.44253231563415,0.44253231563414935,3.916621015337826,3.4163569115123553,3.063069842144853,3.0032355913248336,3.003235591324827,2.570463119281762,2.1453968864143675,2.145396886414367,2.085024312838859,1.7060610096032667,1.3838280117013382,1.3175788271107862,1.3175788271107833,1.0562741412504513,0.7461196409053851,0.7461196409053845,4.018045769157615,3.5919894081648476,3.256503277419309,3.1922837519516514,3.192283751951648,2.873417813060875,2.5218418376969685,2.5218418376969676,1.96084347536386,1.4930960272647744,1.1471946222835328,1.085151480182407,1.0851514801824051,0.7059908135366727,0.3141970147348806,0.3141970147348796,3.90755196805411,3.516706784743356,3.148080299625747,3.0316807543127227,3.0316807543127218,2.7204867747602712,2.267610536751313,2.2676105367513104,2.0748186660780674,1.5969965058194107,1.2722408466395303,1.2516206129814063,1.2516206129814058,0.8746588072172091,0.5808635487995056,0.5808635487995047,0,0,0,0,0,1,9,3,1,0.0,0.0,0.0,0.2448180770406141,0.6443375672974064,0.0,0.0,0.0,0.2448180770406141,0.6443375672974064,1.3194792168823422,0.125,0.0,0.0,1.3194792168823422,0.125,0.0,0.0,2.3068516525781364,4.86286052836507,6.707584449113416,2.3068516525781364,4.86286052836507,6.707584449113416,9.596011838247808,6.795554957734411,6.521108818828933,5.225723681240919,5.147968917199828,4.3158893679189765,3.2389535611500873,2.1355544094144685,0.6854294170177005,0.4247221848584007,0.27171286745120554,0.16330386503877872,0.10506059014693526,0.06539226315028752,0.043186047482001166,0.02737890268480088,9.596011838247808,6.795554957734411,6.521108818828933,5.225723681240919,5.147968917199828,4.3158893679189765,3.2389535611500873,2.1355544094144685,0.6854294170177005,0.4247221848584007,0.27171286745120554,0.16330386503877872,0.10506059014693526,0.06539226315028752,0.043186047482001166,0.02737890268480088,20.50193364543047,36.654042243262936,34.705882352941174,35.11999999999999,23.582653892215593,289.82445029940124,0.5395245696165913,0.9645800590332352,0.9133126934984519,0.9242105263157893,0.6205961550583051,7.626959218405296,4.393000000000004,60.13000000000005,97.56678760186296,128.79897650807422,195.1335752037259,13.93811251455185,97.56678760186296,0.18099565098638096,0.012928260784741496,-2.3929951859863476,76.94023622776507,5.495731159126076,6.080240554646887,179,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,13.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,9.0,0.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.6,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3477260487528344,0.0,14.097256944444444,0.0,0.0,0.0,3.453072562358276,0.0,0.0,0.0,0.0,0.0,0.8519444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3477260487528344,0.0,1.4045138888888888,0.0,0.0,0.0,1.1510241874527587,0.0,0.0,0.0,0.0,0.0,0.8519444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.3477260487528344,0.0,1.6111111111111112,0.0,0.0,0.0,1.1510241874527587,0.0,0.0,0.0,0.0,0.0,0.8519444444444445,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.75,1.4821428571428572,0.2,2.3477260487528344,-0.0,0.8519444444444445,9.485377728174603,0.3980555555555555,0.3477260487528345,2.096493764172336,0.3980555555555555,0.3477260487528345,2.096493764172336,7.0,0.5,0.0,0.0,0.44737,0.7,0.44737,0.44737,0.7,0.0,0.0,-0.0,0.0,0.71429,0.0,0.0,0.07143,0.21429,0.07143,8.0,0.57143,8.0,0.57143,0.0,0.0,-8.0,-0.57143,0.0,0.0,18.46608,1.31901,18.46608,0.0,0.0,6.79554,0.4854,6.79554,0.0,0.0,0.11846,0.00846,0.11846,0.00846,0.2631578947368421,74.0,0,0,0,0,0,0,1.0,0.9494520153879485,1.4762613941685323,2.56165909148002,3.3392610657335644,3.2641359875158447,3.6480857366153963,36.079176584742044,56.09793297840423,97.34304547624076,126.89192049787545,124.0371675256021,138.62725799138505,0.18091942256362017,0.2813036937699315,0.48812775803740294,0.6363009125372633,0.6219857227742049,0.6951478897660298,4.298475498055637,3.7716661192750527,2.686268421963565,1.9086664477100208,1.9837915259277406,1.599841776828189,0.1784037661651352,0.27739220971187833,0.4813404175717705,0.627453247431416,0.613337108152892,0.6854819666053017,6.790838447282358,13.112550992649362,18.76947820221942,18.974629412173183,19.47745200244599,20.80311260133081,54.63108459994825,43.48821865813348,32.85678176591234,31.894145915882238,31.47878960362714,27.88105628343902,9.2421875,3.25,1.546875,4,0,4,3.0,1.7554000000000014,0.0,2.2547163352696633,0.5000000000000001,0.25,12.857094953122372,11.878209608255979,5.113765880173195,1.5000000000000004,1.5000000000000004,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.148,0.17099999999999999,0.381,0.5980000000000001,6.731999999999998,24.0,32.0,49.0,66.0,75.0,78.0,72.0,30.0,18.0,474.0,2.833213344056216,3.2188758248682006,3.4965075614664802,3.912023005428146,4.204692619390966,4.330733340286331,4.3694478524670215,4.290459441148391,3.4339872044851463,2.9444389791664403,6.163314804034641,1.0,0.42857142857142855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,4.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,4.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.1875,4.0,0.25,1,4.0,7.0,0.75,4.5,0.6666666666666667,1.3125,0.4533333333333334,0.27083333333333337,0.18122448979591838,0.08333333333333334,0.0,0.0,0.0,0.28125,0.02777777777777778,0.065625,0.03487179487179488,0.030092592592592598,0.030204081632653063,0.02777777777777778,0.0,0.0,0.0,0.4975990246525961,41.2717503233898,60.26891995730268,82.54350064677962,5.89596433191283,41.2717503233898,0.32550009245169387,0.02325000660369242,-1.5713495466252811,368.00485215929837,26.28606086852131,8.271334572616489,0.0,213.63086736053353,4.807354922057604,4.394449154672439,5.262690188904886,6.20050917404269,7.0909098220799835,8.04012466444838,8.937087036176523,9.889844913494969,10.788927247593167,11.74290162078858,102.3474438222016,3.4965075614664802,0.0,4.859812404361672,0.0,6.4692503167957724,0.0,8.210939733379021,0.0,10.014715819221838,10.198058343191331,192.187800768,5.057573704421053,29.257914054835016,2.089851003916787,0.0,0.0,0.0,278.0,20.0,7.079,80.0,1.2730270707404916,2.197062669900069,2.945239525972004,3.6270127888542314,4.551034930913506,5.405792524863584,6.340449082901728,7.514775717962278,8.014870444990585,0.0,95.39766473218184,116.75254901255299,92.13912843737887,74.77544610301062,100.62991940425441,100.20503463823336,85.6900549583261,42.91618676170827,8.14362132381891,0.0,332.945006267068,447.70667319921347,433.3623055693113,390.6724293221099,523.8476972352036,557.2167035808367,556.5048318154721,499.688257286362,249.13218455910362,0.0,9.316879060151816,15.831784335976554,20.913771902530353,25.29982153707181,31.878799221263517,37.67918319734382,43.94926546443208,51.757508804101356,53.84761854933321,0.0,2.4315426678061565,3.4519982667052784,3.6614016764317014,3.537120900725176,4.686907272980944,5.140420485420465,5.418205604668567,5.46904588737914,3.5635148305356603,0.0,178.99461408545216,326.15347490207216,458.44855502928755,599.233557902028,741.4451181998007,894.7298189734493,1067.3821375882546,1288.474034913509,1482.0910239662062,0.0,2.2783612760396568,3.508656164261539,4.341454894805565,4.737448387094801,6.287107362863103,7.4348869826789565,8.375852094340196,9.750026324228863,8.014870444990585,0.0,0.5007122272915265,0.718547699100371,0.7747539448503392,0.7589746260325921,1.0029142797316792,1.1060880855762376,1.176249885543392,1.2072204491085479,0.8207227335670357,0.0,431.158720763358,278.230061894003,11.48072617459039,55.09803735682119,-35.55519024846606,-3.037518940727123,376.06068340653684,313.78525214246906,14.518245115317514,0.8866894157526471,0.5721875475203944,0.023610419768711796,0.11331058424735273,-0.07312019762135323,-0.006246738765071095,209.6538417936341,135.2912479081547,5.5825806905218105,26.7917930239124,-17.288951544565318,-1.4770141128466117,0.04666273923633052,0.10115492241238197,1.2036330811298712,2.3381716352849717,486.25675812017926,0.0,1.0,0.0,1010.3148059958448,31.785449595622286,10.034265142551066,1242.8036719587487,35.25342071287194,10.751461627714177,2063.679993111408,45.42774475044307,12.731535478162757,1.39564625806099,1.305434816281563,1263.1849100023533,1231.63271494709,328.99524182865673,1.0256181852530757,3.839523340766824,3.7436186253068486,5.114226405501608,5.06608020884802,9.41873502096719,0.8591760557831601,6.6936134602078505,12.397682403837072,9.626846548302577,51.18622466741433,11.098246981288698,27.98177995082232,22.829765996125207,24.84202035321751,23.126718812277964,10.027515268738615,10.805001753946486,11.483842406121976,8.950774124844717,6.077909978653018,6.551958756742529,3.798479850710029,1.3325354142978774,0.9218624340421671,2.5403824354824492E-15,1.7631363022841636E-51,2.5970391127304534E-109,7.578800813038263E-189,4.295578883689383E-290,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5617487572861378,12.397177671063387,0.7626013030814184,20.953405922075394,4.983352685742207,4.758461521574468,3.1406030419479376,1.6500417201779831,1.6478372260833678,1.0273558508210934,2.116159529676146,0.7711309881638038,1.1630141270963268,0.2463903008308835,0.3705339626892612,0.14472382107827148,0.009552239120385664,0.006492752499303834,1.7892121208197287E-17,1.2417913140329996E-53,1.8291158818604356E-111,5.3378113809038565E-191,3.0254113307056917E-292,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8133930698690806,12.39721234325469,2.491627605143758,23.910096030111998,5.4748902512557835,8.9917859973288,6.259010421478991,5.007214538850561,3.7315391548955303,2.201665856817157,3.2292928814450246,2.4431391478540645,2.1928947193924926,0.9663030064427592,1.2881510186830551,0.581876774271384,0.09822982940577003,0.06765948698123564,1.8644969788737745E-16,1.29404229183595E-52,1.9060797744743388E-110,5.562411006322505E-190,3.1527118670350164E-291,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.3182250969532125,12.397627322890493,9.055756822477582,48.198219194669434,10.456222402492818,26.380687572551594,21.305817524568234,22.935156231141896,20.9979225172134,9.24205017715259,10.039433642414169,10.64593951754328,8.275985927057336,5.554487817181025,6.051789780140917,3.465607062625215,1.1873801104999413,0.8213628319420945,2.2634350141318125E-15,1.5709227026359033E-51,2.3139150935388896E-109,6.752575079154836E-189,3.8272834497304046E-290,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.672607651677077,12.39725644050145,3.7024090588230907,26.89421459442489,6.03697826822257,12.048384153239379,8.667097360802831,7.7206101754371375,5.845029696700329,3.20459617971217,4.189523699867315,3.7437408524624796,3.066081944067476,1.6001793661161585,2.0202496978029885,0.9736150903100194,0.2129571622016543,0.1469654468323201,4.0499365845574564E-16,2.8108327763752247E-52,4.140259973170628E-110,1.2082299991957061E-189,6.848111461454915E-291,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.083507605218772,12.397913800144147,11.773611457861334,63.540639660363254,13.779300027563986,34.11357400814615,28.833998566344512,32.4553088258589,31.93278674602947,13.201975413935223,13.904840437762198,14.792955975369175,11.674056008450377,8.204864860377576,8.542093446996436,5.154937797562881,1.9428326887945826,1.3444497219689824,3.704909033014181E-15,2.5713685945585845E-51,3.7875374720967543E-109,1.105296871819545E-188,6.2646980966011E-290,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.69754537783759,11.753232792258219,5.884261930019457,35.28515417417991,7.3846680545493015,18.54467909892676,14.095599860803695,14.75292725143439,12.315369025182857,5.8431992922218505,7.029807878713481,7.498015503047035,5.634661012247129,3.338017271456045,4.150390098424778,2.078795051182712,0.6075840508810494,0.41964880144523675,1.1564289908075134E-15,8.026121997333629E-52,1.182220156412063E-109,3.4500100667278257E-189,1.955426822361722E-290,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.910961699208189,1.541701534187635,1.3043489919683586,0.708307168176192,0.15800959336505194,0.4624152876142629,0.5004126409518579,0.4248971362143926,9.757012225364182,21.6798630223091,45.33424452326096,0.5624607522642879,1.3877250647805135,5.6810970819935775,0.9383773556403225,0.7739745290773804,0.7683960635384783,0.12692010993317604,0.3133021422839117,0.1873262862704782,0.15001947595773876,7.39344896671128,10.454317467544541,21.973834599709164,0.6525940953077175,0.6506479045121286,6.146173780309621,1.1667926019377346,0.9747025656123649,0.7416046440774957,0.14078658417443873,0.36627836509025535,0.2883833339422898,0.23763141470750818,8.28766894785972,14.299277192102418,29.57684049039659,0.6124069661162436,0.8922931137400533,6.878043740442211,1.525581099182901,1.2901698462590436,0.7095305773762501,0.15737707973167736,0.4580461482240362,0.4901229498262335,0.4157330298306498,9.693794685884155,21.335116897129712,44.56668123551374,0.5642958660643753,1.3639021278809196,6.363071132285135,1.2732027735814606,1.0682417667377642,0.7310080619777122,0.14626922639574302,0.3924030334251491,0.3427545900388373,0.2852910458353516,8.70451567260436,16.25886654261798,33.617721325049885,0.5965120929665684,1.020448669299338,7.014902150829569,1.5925938066697185,1.3491154941638785,0.7045471428593097,0.15995339522902538,0.4763476984152283,0.5335857483281261,0.4544841673696099,9.956611451663166,22.784395882020497,47.81317685376309,0.5568207142889647,1.4644176141129643,6.910228652394719,1.529824297197673,1.2933161570996659,0.7099523892136872,0.1571731514985763,0.46227630471973846,0.4926281747771906,0.41776442240176276,9.733369106692058,21.487092538109504,44.89267022852022,0.5649285838205308,1.3726689018986917 +UMLCN0471,L,4-nonanone,CCCCCC(=O)CCC,Ketones,,C9H18O,NREL (2014),IQT,PubChem,,43,0,-1.243600000000001,1.5465409600000024,37.888200000000005,28.64427399999997,0,0,28,10,18,0,9,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1572.634241999998,1564.2045409999994,1769.582232999998,1657.6547519999967,1460.898022999997,1110.286344999998,871.2450240000001,520.6333460000001,281.5920250000005,4587.5502924650655,5756.123810739793,7385.180740683665,7328.111806849011,6321.3134618938875,5261.104989367585,4194.768219121651,3134.5597465953474,2068.2229763493997,202.1487120000001,198.47538800000007,367.00190799999996,476.37095999999974,413.4860599999998,350.8367799999999,299.84916000000015,237.19988000000023,186.21226000000007,33.746336287281984,43.69433758000001,60.94266415818806,62.95246533977208,53.930936480376076,45.44269841728206,37.48454302898003,28.99630496588599,21.038149577583987,4655.118227048983,3923.904035967201,8006.93540513799,10967.070397368974,9488.115242330377,7977.410826950234,7052.408753968682,5541.704338588536,4616.702265606985,91.27777777777777,61.66666666666667,98.41666666666666,134.25,124.33333333333331,106.66666666666666,81.75,64.0,37.0,56.16550864285707,57.9335015185185,34.69769084313722,25.11598109090904,25.62978987719293,23.13096552083329,20.743929142857144,15.776768060606063,10.429334259259278,163.84108187375233,213.18977076814048,144.80746550360126,111.03199707346987,110.90023617357697,109.60635394515803,99.87543378861074,94.9866589877378,76.6008509759037,7.219596857142861,7.350940296296299,7.196115843137254,7.217741818181814,7.254141403508768,7.309099583333332,7.139265714285718,7.187875151515159,6.896750370370373,1.2052262959743565,1.6183087992592595,1.194954199180158,0.9538252324207891,0.946156780357475,0.9467228836933762,0.8924891197376197,0.8786759080571512,0.7791907250957032,166.25422239460653,145.32977910989632,156.99873343407822,166.1677332934693,166.45816214614698,166.19605889479655,167.91449414211147,167.9304345026829,170.9889728002587,3.259920634920635,2.283950617283951,1.929738562091503,2.034090909090909,2.181286549707602,2.222222222222222,1.9464285714285714,1.9393939393939394,1.3703703703703705,0.1398490444062668,-0.04549474817399781,-0.015349012659621509,-0.010741333748679457,0.01656468130449299,-0.018063311612246044,0.0191457339993974,-0.020413060168693063,0.0013157636607565412,850.0347218571434,-48.03777086224552,-160.09487359693912,-7.782076377550993,-9.253965280612249,-220.47682911224504,10.929847500000214,-200.29301633163254,31.11366028061262,1367.240347528959,-97.12506317639588,-445.7549762191781,2.207103318156122,2.0109620456128354,-212.50566875425955,7.944749542087969,-206.5718812577843,13.87853703856316,1.1272628571428551,-0.004431755102038921,0.07789722448979619,-0.12177502040816181,-0.13350081632652855,-0.3222386122448948,-0.03248571428571502,-0.22122351020408104,0.06852938775509887,6.076807390600708,-0.4568662048814571,-2.412795836900644,-0.019436158416826388,-0.019891654625240396,-0.48432558727158176,-0.03067338508221723,-0.4951073177285586,-0.04145511553919362,33.41705860397568,-2.5195126732361293,-13.798515780005268,-0.2164939352328834,-0.22382229801004216,-1.9408913419233524,-0.30107734047682166,-2.01814638439013,-0.3783323829435994,35.08333333333339,-0.3124999999999991,1.020833333333332,-5.29166666666667,-2.812500000000003,-9.5,0.9999999999999996,-5.7708333333333375,1.9374999999999978,0.004994608728795243,-0.00168499067311103,-3.009610325415982E-4,-1.6274748104059785E-4,2.906084439384735E-4,-3.763189919217926E-4,4.558508095094619E-4,-6.185775808694868E-4,4.8731987435427456E-5,30.358382923469406,-1.7791766986016861,-3.1391151685674337,-0.11791024814471202,-0.16235026808091665,-4.593267273171771,0.2602344642857194,-6.069485343382804,1.1523577881708378,48.83001241174854,-3.5972245620887366,-8.740293651356433,0.033440959366001846,0.03528003588794448,-4.427201432380407,0.18916070338304689,-6.259753977508615,0.514019890317154,0.04025938775510197,-1.6413907785329336E-4,0.0015273965586234547,-0.0018450760667903304,-0.0023421195846759393,-0.0067133044217686415,-7.734693877551195E-4,-0.006703742733457001,0.002538125472411069,0.2170288353785967,-0.01692097055116508,-0.04730972229216949,-2.9448724873979375E-4,-3.4897639693404203E-4,-0.010090116401491286,-7.303186924337436E-4,-0.015003252052380563,-0.0015353746495997637,1.1934663787134172,-0.09331528419393072,-0.27055913294127976,-0.003280211139892173,-0.003926706982632319,-0.04043523629006984,-0.007168508106590992,-0.06115595104212516,-0.014012310479392569,1.2529761904761927,-0.01157407407407404,0.02001633986928102,-0.08017676767676772,-0.04934210526315795,-0.19791666666666666,0.023809523809523798,-0.1748737373737375,0.07175925925925918,-0.33736189651786175,-0.06025717906719661,-0.032584630724387977,0.05818442639220943,-0.0753450394927262,0.09126857262739345,-0.1238490569447859,0.009756917925216971,-0.05860577959922376,-0.10340192283893526,-0.0038839436356657244,-0.005347790377708398,-0.15130144727243744,0.00857207924881064,-0.19992782088174454,0.037958470682572985,-0.07366831144247757,-0.17899429509982084,6.848443757093112E-4,7.225072070523594E-4,-0.09066558073033008,0.0038738614642976144,-0.12819480619264625,0.010526720451815417,-0.0040770385990902816,0.03793889186578332,-0.04582971002971869,-0.058175737766382914,-0.16675127954269206,-0.019212149783800418,-0.16651377746318194,0.06304431373498517,-0.07796646248249563,-0.21798818672938036,-0.001356903787582302,-0.0016079724905000248,-0.046492054311075975,-0.0033650767703735616,-0.06913022422208592,-0.007074519138995396,-0.07818844825316874,-0.2267002554633742,-0.00274847385598605,-0.003290169754815711,-0.03388049886554819,-0.006006460034776011,-0.05124229063583057,-0.011740850625803255,-0.009237265769332235,0.015975036095198125,-0.06398905923846533,-0.03937992249031126,-0.15795724465558167,0.01900237529691207,-0.1395666882602748,0.05727104776985995,1.1559650364312026,0.8428211782347409,1.1693691973772002,1.2316889557130242,1.467462257339315,0.8794647636208857,1.147547231250827,0.24657747815764958,1.2911780245895108,1.1409256093458608,0.9814038572930637,1.0014336212961241,1.1781824809970076,0.9084412122921053,1.140168896674113,0.7121239043947334,1.4945222044734496,1.320919219026603,0.935926291131072,0.9277120929914224,1.0191171599144797,0.8941482629269076,1.0179473157064873,0.8232912883462661,0.5550400210877432,0.5542752326077569,1.229693831420646,1.4039247372503092,1.7310191785665434,0.9864752041607749,1.3483990643236063,0.10519285652731528,1.5525472435137315,1.3808343494088857,0.9339646633866594,0.9245321911741631,0.9706979808539609,0.8935317513500937,0.9522273254777799,0.8280863783881692,1.5555440514176975,1.3872169615391599,0.9380981379278159,0.9312327709566705,0.967032718686169,0.8948308433487423,0.9369756961531234,0.817982329509783,0.5415676959619944,0.5457593963951366,1.2544806737205765,1.4024878109763697,1.7556413301662677,0.9490159484221226,1.3409630749298185,0.07838479809976234,60.22352694032288,30.23676347016144,47.286916689929676,60.42352694032288,6.042352694032289,30.236763470161744,0.25,0.08970463350959046,0.008970463350959046,-2.4112328556261806,97.66299997164916,9.766299997164916,4.581522776691806,60.22530247674315,30.237284027920925,47.28746955402552,60.42471494002211,6.042471494002211,30.23728402792123,0.2492655790986973,0.08969677244511653,0.008969677244511653,-2.4113204922245353,97.6792330078767,9.76792330078767,4.581688977681907,61.81615967693408,30.708582599438028,47.789839037442,61.496964094487666,6.149696409448765,30.708582599438202,-0.3989944780580217,0.08244312641163187,0.008244312641163187,-2.4956466001996755,120.52039341948324,12.052039341948324,4.7918189786069485,60.22716598052949,30.23783039037422,47.28804982868392,60.42596182070466,6.042596182070465,30.237830390374526,0.24849480021895332,0.08968852142299577,0.008968852142299578,-2.4114124844045928,97.69628385732764,9.769628385732764,4.58186352206462,63.53942200237451,31.228563869017663,48.34908698589892,62.67358659090317,6.267358659090316,31.228563869017762,-1.0822942643391826,0.07397065843194822,0.0073970658431948225,-2.604086772084297,303.7752444199125,30.37752444199125,5.716288100402738,60.40970033980602,30.291417262842184,47.34498490914506,60.5482076885087,6.05482076885087,30.29141726284247,0.1731341858783466,0.08887784983584052,0.008887784983584052,-2.420492325709359,99.43691697623602,9.943691697623603,4.599523442862575,65.68650222681151,32.85800135352149,51.96578262250862,66.0712641315734,6.607126413157342,32.85800135352151,0.641269841269839,0.11741835085364899,0.011741835085364898,-2.1420120732952723,56.82247312109649,5.6822473121096495,4.039931901017314,0,11.890000000000004,15.99491689148276,-0.2992009513560496,0.13269777996012835,4.547509527015448,7.488643896590447,9.0,27.0,26.0,26.0,8.0,1.0,1.0,0.0,0.0,1.0,20.635725999999995,3.5882650314180795,3.3157858917793304,3.0159700155447813,2.675925249442989,2.1551982744004254,1.976847707053232,1.5109741610478682,1.3321427860202588,1.8999643839361218,1.7787501873899876,1.5576863629658528,1.2761434451693905,1.0589714818765046,0.7759696313376125,0.6552002935618896,0.5481161554071151,3.562596534578925,3.33720372268834,3.0313944999524884,2.6689193886245444,2.222571427975719,1.919010749609681,1.568098040407944,1.3851217556820354,1.8592620025249047,1.7161135056542518,1.4882373592360523,1.207728108741679,0.9436076438913485,0.6765067990493803,0.5193607638573255,0.3997555942408471,3.6951871154187925,3.4874322589809625,3.2197816448369685,2.9057233779804754,2.514714890492691,2.2804444721937576,1.9846178980743219,1.8475853650046032,1.6827912437410164,1.5061190167736243,1.2349476454952,0.9025775965586272,0.5690240786560424,0.24969020599254352,0.0316930045602562,0.12498577352776981,3.5687192048440948,3.3578856294282797,3.054462998770476,2.688359505605485,2.272494392827277,1.9362206829922317,1.626943450392954,1.437012997968492,1.8370935894605864,1.6760313025612732,1.4443812174879564,1.1651528306338057,0.8674268438772866,0.6257010671351413,0.4321176843659257,0.31077270070359203,3.734829172139011,3.5533904023138034,3.296192825488211,2.9879092585322358,2.647790050847029,2.381320270174143,2.148702485052328,2.009606247258575,1.6402502188343486,1.4436846818736822,1.1607071809333003,0.8199766164282035,0.4420627478880806,0.1351551351334779,0.132752809763761,0.298064220283408,4.979793026842282,3.460797872676613,3.337471093752104,3.03465112140799,2.5749321870569455,2.3652868774091114,1.8580072223162436,1.6838800188621847,1.758978837249089,1.5882454225641485,1.3087494898749765,0.9483517586397449,0.7327013344328118,0.39496373801864,0.2555931386669823,0.13025257428053513,0,0,0,1,0,2,6,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.10206207261596577,0.0,0.0,0.0,0.4082482904638631,0.49279927982674443,0.348461712529338,0.14433756729740646,0.174230856264669,0.12319981995668611,7.819990956308912,4.8080604124904465,3.3896287658987125,2.081951230073507,1.3799361269508954,0.6371368471241509,0.4206304961780412,0.14433756729740646,0.7819990956308912,0.5342289347211607,0.3766254184331903,0.2602439037591884,0.1971337324215565,0.12742736942483018,0.1051576240445103,0.07216878364870323,7.150888977583149,4.3254444887915735,2.7457819157813605,1.588007621715116,0.9760075515613059,0.47780773160461976,0.29030773160461976,0.125,0.7150888977583149,0.4806049431990637,0.3050868795312623,0.1985009527143895,0.1394296502230437,0.09556154632092395,0.07257693290115494,0.0625,14.591249338489726,27.321194464675887,25.878431372549027,26.239999999999995,16.667229940119757,215.40881676646708,0.5211160478032045,0.975756945166996,0.924229691876751,0.9371428571428569,0.5952582121471341,7.693172027373825,2.9359000000000015,44.057000000000016,31.2641207165385,48.34375653423612,62.528241433077,6.2528241433077,31.2641207165386,0.07014467877058805,0.007014467877058806,-2.6571953303273683,225.91372370114308,22.591372370114307,5.42015317285109,107,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.917874149659864,0.44069444444444494,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.423010204081633,0.8027777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.210334939531368,0.0,6.097763133030989,0.0,0.0,0.0,0.0,0.0,0.0,0.44069444444444494,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.917874149659864,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.917874149659864,0.44069444444444494,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2324546485260771,0.4013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.053294359410431,0.0,0.7814625850340136,0.0,0.0,0.0,0.0,0.0,0.0,0.44069444444444494,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.917874149659864,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.917874149659864,0.44069444444444494,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4013888888888889,0.4013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1570405801209374,0.0,1.2077430555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.44069444444444494,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.917874149659864,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.666666666666664,2.1666666666666665,0.4057397959183673,10.917874149659864,0.2324546485260771,0.44069444444444494,4.695848607331821,1.2259722222222218,3.917874149659864,8.256418178382464,1.2259722222222218,3.917874149659864,8.256418178382464,4.83333,0.48333,0.0,0.01667,0.47024,0.77667,0.425,0.47024,0.77667,0.04524,0.0,-0.04524,0.0,0.62232,0.09197,0.0,0.27586,0.10345,0.0,6.25,0.625,4.75,0.475,1.5,0.15,-3.25,-0.325,0.0,0.0,9.28854,0.92885,11.45959,2.17104,0.2171,4.11989,0.41199,4.80805,0.68816,0.06882,0.10595,0.01059,0.10595,0.01059,0.0,9.01,1,1,1,1,0,0,0.8888888888888888,1.1077843849525173,1.6981174211304033,2.8962915290459277,3.610577243331642,3.7229074943218796,3.3082774773777084,31.017962778670483,47.54728779165129,81.09616281328597,101.09616281328599,104.24140984101263,92.63176936657584,0.23043532314821738,0.3532332121639127,0.6024709171683711,0.7510527726515922,0.7744191046182277,0.6881700084589817,3.699570537105086,3.1092375009272004,1.911063393011676,1.1967776787259616,1.0844474277357241,1.4990774446798953,0.23043532314821738,0.3532332121639127,0.6024709171683711,0.7510527726515922,0.7744191046182277,0.6881700084589817,9.474970853405472,16.558967287540106,20.12198321076307,22.4121689433345,21.74022282727616,18.33497333366038,37.17060982410168,25.931763284444855,22.84697511765592,18.485205318079224,19.025600864621076,25.299732923938453,10.0,7.111111111111111,7.0,10,1,9,2.3400000000000003,1.392400000000001,0.12499999999999997,3.6317596142165165,0.5163977794943223,0.0,6.238979991801659,3.1473451902649443,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.41900000000000004,0.403,0.5980000000000001,0.179,4.885,9.0,8.0,7.0,5.0,4.0,2.0,1.0,0.0,0.0,55.0,2.3978952727983707,2.4849066497880004,2.3978952727983707,2.302585092994046,1.9459101490553132,1.791759469228055,1.0986122886681098,0.6931471805599453,0.0,0.0,4.174387269895637,1.1636363636363636,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.6666666666666666,8.0,0.8888888888888888,0,4.0,8.0,1.0,1.5,0.666666666666667,0.375,0.16000000000000003,0.1111111111111111,0.04081632653061225,0.03125,0.0,0.0,0.0,0.16666666666666666,0.07407407407407411,0.046875,0.02285714285714286,0.02222222222222222,0.010204081632653062,0.015625,0.0,0.0,0.0,0.3585241874527589,31.2641207165385,48.34375653423612,62.528241433077,6.2528241433077,31.2641207165386,0.07014467877058805,0.007014467877058806,-2.6571953303273683,225.91372370114308,22.591372370114307,5.42015317285109,17.07,170.37408833336124,4.321928094887363,3.6109179126442243,4.2626798770413155,4.962844630259907,5.638354669333745,6.35088571671474,7.034387929915503,7.751475318021456,8.437933510430605,9.156834104453042,76.20631366881454,2.9444389791664403,0.0,4.007333185232471,0.0,5.231108616854587,0.0,6.532334292222349,0.0,7.874358824729881,8.183955717304954,142.135765196,5.076277328428572,18.65329824543886,1.865329824543886,2.4770120646911584,2.4770120646911584,0.0,150.0,8.0,2.9669999999999996,36.0,1.2369629629629628,2.135677554782665,2.879363717430611,3.6259394092812838,4.976101674821989,5.963423122590164,7.27606342352411,8.347224520022895,9.563989874582575,10.700689463940044,82.53193165111108,83.01473918000939,83.13991440283849,114.75494310902104,131.03553685046333,142.99502526473648,128.65339306400298,98.37900100408912,47.996172032746536,10.872585339488777,289.3556321681264,332.1238262349449,349.4064988902459,467.86706646359204,593.443983217338,656.550030419147,738.0346203462806,682.6844852681675,585.9964911601619,332.6174965318605,9.125114216888887,15.446017929525828,20.851616310294315,26.3452245134657,36.39444399413022,42.655469621422995,52.33673574600821,57.71092542911054,65.63297360958443,71.89219693866049,2.1417976972792583,2.6843639357174376,2.92034849778581,3.861754882983968,5.020972781873268,5.724605943876943,6.711120572649925,6.801568156367273,6.560962014050573,4.757664626449472,177.56326126798515,331.6899890225938,474.7781042317762,589.2740590767506,817.840976359705,987.8794094338766,1211.2442033692898,1416.4068646628934,1658.8158354728723,1978.7463707124127,2.884197530864197,4.294463193394949,5.980433859941582,7.991384020500137,11.076032141699637,11.785469901061484,14.170521413381891,11.76988233358518,13.015298448508545,10.700689463940044,0.4528055555555557,0.5860371751849448,0.6557504607088039,0.8677895643428133,1.1362119688254537,1.2805117533146004,1.500715873710638,1.4822372080185882,1.4542526229294688,1.0957506011074607,461.5701557731942,292.7679872659503,13.645667623530926,208.7800784876078,-132.42650677371603,-19.262525620249097,252.7900772855864,425.1944940396663,32.90819324378002,0.6885507488218742,0.4367388453123861,0.020356027231911173,0.3114492511781254,-0.19754823673589558,-0.028735017362215075,309.4136620503557,196.25708884779334,9.147376488079,139.95577452315658,-88.77213983810024,-12.912638561988688,0.20910055098457528,0.47166464992618534,3.1169909848935666,12.693687672332986,643.4377071627475,26.912527098054785,0.9598530354394054,0.0401469645605947,630.5403057234698,25.11056163695806,8.575068888422969,804.9069551956474,28.370882171614745,9.30211905000473,1066.5282295968073,32.657743792197394,10.217017055988249,2.9942914305682686,2.9942914305682686,1460.0103907346995,1403.0574936963035,83.66999254960069,1.0405919909157506,17.449629744728206,16.76894488623926,4.955662671449602,5.709952281369697,11.287029826101636,0.9767292737154216,5.033424997945543,7.675290027007933,2.7368565282967214,23.55081744038955,10.06796062435903,0.12042314441349837,4.328816311264985,7.586550036887353,14.677705299958992,2.2639692327299032,2.8319395685085222,10.755652444199141,5.244927585134448,7.419550556751249,0.36969176220252603,2.6496366933591453,0.4925580631825206,3.5679946762205867,1.1796753134162177,4.630384313705838,0.2993431478843074,0.02144435079435812,1.677613654074984E-22,2.5317958054575926E-64,7.369555683885655E-128,4.1374221793747066E-213,4.48E-320,0.0,0.0,0.0,0.438914245620953,7.674981619403062,0.18780317180633907,7.524897992348425,0.2719734262722131,0.001214016562036924,0.9610748610416253,0.44702127065696406,5.447803877536269,0.03677704162024636,0.029299690790215653,1.5561240379635435,0.2891233924024544,2.1701462635878976,0.027977441044412278,0.06833541714858997,0.010800826357544634,0.03364498254851539,1.0150711452017533,0.12026091995494359,0.0021083990013119184,1.5103431604812322E-4,1.181557013620902E-24,1.7831644870843968E-66,5.190438325542908E-130,2.914020270684062E-215,3.16E-322,0.0,0.0,0.0,1.3694907650636514,7.674885018572983,0.6338444539187015,8.35478329918154,1.0076469039043232,0.009380039386517434,1.5493166807167067,1.345292146809516,6.214169949484463,0.21968324827159263,0.2215334108500106,2.457074346774472,0.7351510703447558,2.73579095581973,0.09232315283721013,0.2803576933836355,0.05335887063584982,0.28374808596767775,1.0486703642636181,0.5650305871636768,0.021970352250078665,0.0015738940212912038,1.2312735067175718E-23,1.8581948782465468E-65,5.408836920114104E-129,3.0366337941966076E-214,3.29E-321,0.0,0.0,0.0,4.756253446105082,7.675314719794973,2.554530142273517,22.83307605113503,9.596515330584642,0.10740597294696297,4.178625229584845,7.468630719896417,14.824097680715997,2.0314997002507784,2.525987447164884,10.386631348485677,5.432623339590564,6.919225513358632,0.3468599814232224,2.3802184583518953,0.44333251087701875,3.184882311834085,1.169598363866256,4.185940417410243,0.26670942488978466,0.019106530483492968,1.4947235627921529E-22,2.2557844813694236E-64,6.56614143623343E-128,3.6863686735669696E-213,3.992E-320,0.0,0.0,0.0,2.010801988059165,7.674871233095308,0.9620915938607616,9.475683395772906,1.742059145098416,0.019786077063533115,1.987268770646056,1.9968632209579682,6.945358660256004,0.4259193053341999,0.46627962594987904,3.339427140626498,1.0340230070527947,3.274291768103902,0.13809946158217687,0.5193976442255828,0.09913553750216152,0.5953845557900679,1.0717351750906137,1.0116385590514119,0.04772229302589363,0.0034187081283948953,2.674490587517028E-23,4.036247579866664E-65,1.1748716555125175E-128,6.595974376128469E-214,7.144E-321,0.0,0.0,0.0,6.078612651217593,7.6755030618792714,3.441765435395677,31.08007107033642,14.599712760063062,0.1751142426624028,5.143610755014589,10.294767868270077,18.182473412962125,3.233839067659329,4.117317011316512,14.087016238351925,7.514169145485776,9.47522494486301,0.45639881426508716,3.773649333134834,0.6972231477257045,5.175810349201885,1.2169857222802516,6.467094461088825,0.4365635198801483,0.031274570259754546,2.4466418496984904E-22,3.692386240107923E-64,1.0747804362512723E-127,6.034041407173976E-213,6.5335E-320,0.0,0.0,0.0,3.2086513355402766,7.225790543333026,1.5143141177395927,20.246284819292413,7.6185028021742855,0.04581758170122795,3.5057648582118652,6.897621366447584,16.462112847968246,0.9040088065370115,1.0806616952165375,9.863744116505126,6.619687742779084,4.61322684361272,0.20139331986387773,1.0770785925011332,0.21715545263707509,1.364391898754047,1.641505296622757,2.172863048584473,0.11271803202852039,0.008074861430313569,6.317047282131524E-23,9.533466643484426E-65,2.7750031474962E-128,1.5579446119649593E-213,1.6867E-320,0.0,0.0,0.0,12.34976439877925,0.8066965832759865,0.4733867250000001,0.9060823469352943,0.05918603058627097,0.5718688998732255,0.5881909529768654,0.571411934984778,13.629847707055237,16.190606721644055,34.53657570971134,0.8591235204029416,1.7314717878348689,9.80494530759556,0.5233517649466846,0.09393053336145434,0.9407725179635802,0.050214962168954214,0.36065892429629404,0.24380083358138904,0.022497317315434306,10.4222276059037,6.10157788467529,17.00580395761059,0.9111587769453704,0.6269570751931175,11.109177157541094,0.5702609095860152,0.24610073958516884,0.9315450930643322,0.047818460769675615,0.4627340436428149,0.2937335696859954,0.15443402652401247,11.925538806712277,9.209447816870723,22.694066671668306,0.8973176395964982,0.9109016398528228,12.159812982467532,0.8160707635423523,0.45794032514395416,0.9051639293518841,0.06074746544393741,0.5543987040795528,0.6019213214483444,0.5347304720992535,13.433824071153838,15.865448286812406,33.84353687061648,0.8577458940278262,1.6910504976271508,11.63877057340634,0.6110280721423833,0.31753034861415474,0.9261133036950155,0.0486203609713875,0.5079125687714635,0.33747026143517667,0.2570914522749384,12.567328994162878,11.001298379950263,25.826781137509723,0.8891699555425234,1.1024742824815785,12.467958147048844,0.8433612045455363,0.5010526290411569,0.9026659696486952,0.061058390675251095,0.5828672558480893,0.6428740282242559,0.6401530921489532,13.812371980635536,17.18466375824124,36.26560022559443,0.8539989544730427,1.8658943762212985,12.17464941773094,0.8210655536238032,0.45800592888086605,0.90492804986892,0.06102888262008053,0.5557509992452974,0.6092767757073156,0.5348836921939112,13.45372090023561,15.948299771271275,33.98033278876842,0.8573920748033799,1.6999114671465243 +UMLCN0472,L,6-undecanone,CCCCCC(=O)CCCCC,Ketones,,C11H22O,NREL (2014),IQT,PubChem,,49,0,-1.8196000000000006,3.310944160000002,43.711400000000005,34.83144599999997,0,0,34,12,22,0,11,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1865.2267399999976,1901.1611349999991,2156.999306999999,2051.1682099999957,1854.411480999996,1657.6547519999967,1460.898022999997,956.4313959999997,675.1054830000003,5558.919073687444,7062.104079720526,9212.27496400835,9341.708496759291,8334.910151804137,7328.111806849009,6321.3134618938875,5207.694861796408,4081.8196662596565,244.10360000000017,242.02694800000006,452.46092400000003,602.1407600000005,539.25586,476.37095999999974,413.4860599999998,351.07239999999996,311.9820600000001,41.10258790667803,53.72631482000001,76.31804444788594,80.99552305856385,71.97399419916798,62.95246533977209,53.930936480376076,45.97598921358405,39.08120729637604,5648.377547325979,4789.982938998801,9855.339803069688,13924.980707446168,12446.025552407571,10967.070397368974,9488.115242330377,7945.6615666086855,7574.6125756841775,99.77777777777777,72.16666666666667,116.91666666666666,158.66666666666666,146.41666666666666,134.33333333333331,126.74999999999999,103.5,61.25,54.859609999999925,57.61094348484846,34.238084238095226,24.418669166666614,24.72548641333328,25.11598109090904,25.62978987719293,19.925654083333328,15.002344066666673,163.4976198143366,214.00315393092504,146.22658673029125,111.2108154376106,111.13213535738849,111.03199707346982,110.90023617357697,108.49364295409184,90.70710369465904,7.1795176470588284,7.334149939393941,7.181919428571429,7.168342380952386,7.1900781333333335,7.217741818181814,7.254141403508768,7.314008333333333,6.932934666666669,1.2088996443140598,1.6280701460606064,1.2113975309188245,0.9642324173638553,0.9596532559889064,0.9538252324207892,0.946156780357475,0.9578331086163344,0.8684712732528009,166.12875139194057,145.1509981514788,156.43396512809028,165.77357985054962,165.94700736543427,166.1677332934693,166.45816214614698,165.5346159710143,168.32472390409282,2.934640522875817,2.186868686868687,1.8558201058201056,1.8888888888888888,1.952222222222222,2.035353535353535,2.2236842105263155,2.15625,1.3611111111111112,0.1484374266122756,-0.04521337174780562,-0.018852550632546736,-0.013459344744929332,-0.001804401216335105,0.0049099098820326245,0.03515955765832563,-0.041074321846931626,0.0031152457882821292,1012.2641630588225,-49.03212291003595,-245.25381643252706,-5.9809533217993405,-6.979189394463553,-7.977425467127993,-8.975661539792377,-427.90537725951594,26.977763304498907,1667.517917519121,-97.63923096193525,-598.1501669843808,1.874624417351292,1.7416012705748969,1.6085781237985017,1.4755549770221066,-426.5166758584767,11.609914857005073,1.1653218823529428,-0.005320415224911684,0.058297217993080214,-0.09687712110726636,-0.10482956401384025,-0.11278200692041415,-0.12073444982698804,-0.48074901038062046,0.06722856747404563,7.418956513415766,-0.45517063980180716,-3.0761071740324297,-0.015873854746362576,-0.016182772590130207,-0.016491690433898726,-0.016800608277666357,-0.947585316889315,-0.03372026126951762,40.71029893676577,-2.503551919753715,-17.371169833740105,-0.17615907997277702,-0.18112918067978256,-0.18609928138678455,-0.19106938209378477,-3.6390689316186986,-0.3048227081032362,35.72549019607846,-0.17474048442906492,0.8959054209919267,-4.262975778546705,-4.644463667820061,-4.859284890426755,0.7984429065743902,-11.9555940023068,1.9074394463667828,0.004365806665066929,-0.0013701021741759278,-2.992468354372498E-4,-1.6023029458249206E-4,-2.4058682884468068E-5,7.439257397019128E-5,6.168343448829058E-4,-8.557150384777422E-4,6.922768418404731E-5,29.772475384083016,-1.4858219063647258,-3.8929177211512234,-0.07120182525951596,-0.09305585859284737,-0.12087008283527263,-0.15746774631214697,-8.91469535957325,0.5995058512110868,49.04464463291532,-2.9587645746040985,-9.494447094990171,0.022316957349420144,0.023221350274331958,0.024372395815128813,0.025886929421440465,-8.88576408038493,0.2579981079334461,0.03427417301038067,-1.6122470378520255E-4,9.253526665568288E-4,-0.00115329906080079,-0.0013977275201845366,-0.0017088182866729416,-0.0021181482425787377,-0.010015604382929593,0.0014939681660899027,0.2182046033357578,-0.013793049690963854,-0.048827098000514754,-1.8897446126622114E-4,-2.1577030120173608E-4,-2.4987409748331404E-4,-2.947475136432694E-4,-0.019741360768527397,-7.493391393226137E-4,1.1973617334342872,-0.07586520968950651,-0.2757328545038112,-0.002097131904437822,-0.002415055742397101,-0.0028196860816179477,-0.0033520944226979785,-0.07581393607538955,-0.006773837957849693,1.0507497116493665,-0.005295166194820149,0.01422072096812582,-0.050749711649365536,-0.06192618223760081,-0.07362552864282962,0.014007770290778775,-0.24907487504805834,0.042387543252595174,-0.31382566368291615,-0.06854330903648988,-0.03670118877791297,-0.005510707351512836,0.017039823262318194,0.1412875997965085,-0.19600387834962082,0.01585679108009379,-0.04990589083362135,-0.13075559458628214,-0.002391531921379367,-0.0031255667321030676,-0.0040597928548424395,-0.005289037753183684,-0.29942741557657754,0.020136244752144292,-0.06032798477284477,-0.1935878456466206,4.550335213244173E-4,4.734737186524014E-4,4.969430607061993E-4,5.278237739348809E-4,-0.1811770509684034,0.0052604746117437635,-0.004703970646829967,0.02699854103778276,-0.033649216290397105,-0.0407807803199571,-0.04985731635757891,-0.061800126933397086,-0.2922201618080224,0.04358874437721437,-0.06321154311185674,-0.22376749735835347,-8.660425049577923E-4,-9.888439469341718E-4,-0.0011451366912678073,-0.0013507850390751508,-0.09047178870993289,-0.0034341124241525907,-0.06336030922911576,-0.23028367017622228,-0.0017514606036580134,-0.0020169808963830917,-0.0023549158143967826,-0.002799567022309508,-0.06331748707046042,-0.005657302859028984,-0.0050394172238299294,0.013533880438380984,-0.04829857299670679,-0.05893523600439062,-0.07006952067325271,0.013331214974868484,-0.23704491401390385,0.0403402854006586,1.1742402018250586,0.8736383215717411,1.1306598914540633,1.1951303819687715,1.2984653810736029,1.3636804489549144,1.713708623852854,0.2904329514929049,1.323447198754731,1.1985268552642812,0.9793586659491581,0.9916343882082785,1.0072580347198867,1.0278154643404238,1.3623592886641225,0.7893548824108364,1.495411748751945,1.3544672002983889,0.949092424626392,0.9441769218141822,0.9379208273259156,0.9296891240518808,1.1242074333875058,0.8910494532553238,0.5776155156727203,0.5731401529646,1.1743096349676636,1.2973175076292969,1.453872981925921,1.6598670270530584,2.150075904299501,0.13431962650864618,1.5429904613456897,1.4032928391459396,0.9478190162178316,0.9421802174295604,0.935003564426306,0.9255605999483397,1.0309789610358622,0.8953281055080845,1.5454451022802362,1.408013414893772,0.9505053251550012,0.9463923498430428,0.9411576539914592,0.9342698962920073,1.0155739747002508,0.8863021074791911,0.5458287596048295,0.5449401494955826,1.194958444409596,1.3321953896816674,1.50452799121844,1.6299974001964281,2.164945801317232,0.0821075740944017,88.58015353339084,44.4150767666954,69.10215180604952,88.78848686672416,7.399040572227013,44.4150767666954,0.24999999999996447,2.220446049250313E-16,1.850371707708594E-17,-43.25238406694059,3000029.95615817,250002.49634651418,17.896959398362306,88.58192984575317,44.41559771242594,69.10267275178008,88.78965116166877,7.39913759680573,44.41559771242594,0.2492655790987115,2.7755575615628914E-16,2.312964634635743E-17,-42.98461180536354,3000029.95615817,250002.49634651418,17.896959398362306,90.17466840120639,44.887836961574145,69.57491200092826,89.84217300282464,7.486847750235386,44.887836961574145,-0.39899447805810695,4.996003610813204E-16,4.163336342344337E-17,-42.279267807481,3000029.95615817,250002.49634651418,17.896959398362306,88.58379416634261,44.41614448328079,69.10321952263486,88.79087316652509,7.3992394305437585,44.41614448328079,0.24849480021895687,1.6653345369377348E-16,1.3877787807814457E-17,-43.59760255388274,3000029.95615817,250002.49634651418,17.896959398362306,91.90365970514992,45.410682720405376,70.0977577597595,91.00174781820061,7.583478984850051,45.410682720405376,-1.0822942643391613,4.440892098500626E-16,3.700743415417188E-17,-42.42060745026866,3000029.95615817,250002.49634651418,17.896959398362306,88.76642102781437,44.46977760684633,69.15685264620045,88.91069951604628,7.409224959670523,44.46977760684633,0.17313418587828266,5.551115123125783E-17,4.625929269271485E-18,-44.91593730028446,3000029.95615817,250002.49634651418,17.896959398362306,95.72763020067381,47.862815274740264,74.93417030097224,96.15110302414661,8.012591918678885,47.862815274740264,0.6352092352091958,5.551115123125783E-16,4.625929269271486E-17,-42.152835188691604,3000030.286410545,250002.52386754542,17.89695953046193,0,11.889999999999997,15.994917394522048,-0.2992083407815386,0.13271912023155663,4.665398506686876,7.607564509621948,11.0,33.0,32.0,32.0,10.0,1.0,1.0,0.0,0.0,1.0,25.008553999999993,3.6010491184648106,3.3717239673622252,3.2087416800125603,2.830975742078327,2.5998384113674144,2.1323396087870923,1.9842102791797307,1.522445730902634,1.9145501161413112,1.8369515487822643,1.6439902826478467,1.4757385671617473,1.2079723087053604,1.0400663528085052,0.7999240315238295,0.7107249830547557,3.5796849349721467,3.403743107702726,3.2032060804138873,2.8766536559651485,2.584104095310113,2.2009484007414137,1.9466997605935952,1.6203977662123343,1.873420233598021,1.7703111676086558,1.593450963371783,1.3870204531748973,1.137332220759598,0.9233187772681727,0.7002790014353012,0.569024033631279,3.7093117716144954,3.5435766320531084,3.371698439725374,3.07498697915586,2.830147026937148,2.492141128275135,2.2968975992393648,2.020007199347097,1.6999177190619672,1.5712734993559874,1.3678609568593711,1.1138575680073997,0.8232920260886488,0.5476966403556173,0.28044274515218354,0.09337824862988495,3.586837046774606,3.4272857411520468,3.2164326068636626,2.9102123971542295,2.6028930741158147,2.2510414833394474,1.9695088648937962,1.6910041349935936,1.8504393236722914,1.7276031270031533,1.5620811730350654,1.329413247703929,1.09481124261952,0.8461984249129652,0.6453297244081357,0.4739778217530129,3.749799308863484,3.611002781247452,3.430650618311591,3.1692882008059335,2.9124342762506936,2.6260020353274984,2.403917849352719,2.195360083343059,1.6571334359502232,1.508311984285243,1.3094114677562851,1.0252562865575772,0.7388253352229779,0.4203022837560132,0.16375459279601126,0.07618392110078132,5.033256721048113,3.48336154065965,3.4620663189570853,3.097079368833822,2.9993015143560924,2.5015572126716763,2.35149783332594,1.9039418113787137,1.769517608376019,1.6784115137733073,1.4001347404127191,1.2165531692412543,0.8787253203951395,0.7092176638307734,0.414107464622519,0.3221245076919248,0,0,0,1,0,2,8,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.10206207261596577,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.14433756729740646,0.15309310892394865,0.14433756729740646,9.234204518682008,5.8080604124904465,4.09673554708526,2.6009536313038994,1.6299361269508954,0.9855985596534889,0.7093056307728542,0.24639963991337221,0.7695170432235007,0.528005492044586,0.37243050428047825,0.26009536313038994,0.18110401410565505,0.12319981995668611,0.10132937582469347,0.061599909978343054,8.565102539956245,5.3254444887915735,3.452888696967908,2.1183377076050265,1.2693375672974065,0.7056154632092395,0.46633876791260265,0.21338834764831843,0.7137585449963537,0.48413131716287033,0.313898972451628,0.21183377076050264,0.1410375074774896,0.08820193290115494,0.06661982398751466,0.05334708691207961,17.674904946061464,33.09686817188638,31.329411764705892,31.759999999999987,20.264338922155698,261.4653269461078,0.5198501454723959,0.9734372991731287,0.9214532871972321,0.9341176470588232,0.596009968298697,7.690156674885523,3.716100000000003,53.29100000000004,45.42217670178067,70.1092517411348,90.84435340356134,7.570362783630112,45.42217670178067,2.220446049250313E-16,1.850371707708594E-17,-43.25238406694059,3000029.95615817,250002.49634651418,17.896959398362306,161,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,8.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.192692743764173,0.46935185185185224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.9001870748299323,0.8027777777777778,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.33642683925422,0.0,8.668195231796425,0.0,0.0,0.0,0.0,0.0,0.0,0.46935185185185224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.192692743764173,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.192692743764173,0.46935185185185224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2324546485260771,0.4013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.16821341962711,0.0,0.8170181405895691,0.0,0.0,0.0,0.0,0.0,0.0,0.46935185185185224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.192692743764173,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.192692743764173,0.46935185185185224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4013888888888889,0.4013888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.16821341962711,0.0,1.2105555555555556,0.0,0.0,0.0,0.0,0.0,0.0,0.46935185185185224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.192692743764173,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.666666666666664,2.0555555555555554,0.4013888888888889,11.192692743764173,0.2324546485260771,0.46935185185185224,5.985227885172589,1.1973148148148145,4.192692743764172,9.058239166036785,1.1973148148148145,4.192692743764172,9.058239166036785,5.83333,0.48611,0.0,0.01389,0.46373,0.76389,0.42632,0.46373,0.76389,0.03741,0.0,-0.03741,0.0,0.63636,0.07793,0.0,0.22857,0.08571,0.0,7.25,0.60417,5.75,0.47917,1.5,0.125,-4.25,-0.35417,0.0,0.0,12.25532,1.02128,14.6225,2.36718,0.19727,5.11989,0.42666,5.80805,0.68816,0.05735,0.10595,0.00883,0.10595,0.00883,0.0,11.01,1,1,1,1,0,0,0.9090909090909091,1.0827203878670804,1.6281313525930607,2.755574237863743,3.278351811711312,3.1104251662834685,3.2783518117113126,36.81249318748073,55.35646598816407,93.68952408736726,111.46396159818461,105.75445565363793,111.46396159818462,0.21282128669090808,0.3200281561551252,0.5416401699332135,0.6443981831434066,0.6113902476227272,0.6443981831434067,4.00474245338326,3.4593314886572792,2.331888603386597,1.8091110295390278,1.9770376749668714,1.8091110295390274,0.21282128669090808,0.3200281561551252,0.5416401699332135,0.6443981831434066,0.6113902476227272,0.6443981831434067,9.123484061109917,15.668415637821678,18.98853095601064,19.11285532724766,20.23681170550452,19.112855327247658,44.90051417917011,32.703820042839325,28.76707707746675,27.929584447253948,26.07269740423116,27.92958444725394,12.0,9.090909090909092,9.0,12,1,11,2.56,1.6742000000000017,0.09999999999999998,3.9493066279781983,0.3999999999999999,0.0,9.658117896693065,3.6144080144393795,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.41900000000000004,0.403,0.5980000000000001,0.179,5.883,11.0,10.0,9.0,8.0,7.0,4.0,3.0,2.0,1.0,78.0,2.5649493574615367,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,4.499809670330265,1.141025641025641,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.7272727272727273,10.0,0.9090909090909091,0,5.0,10.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.16666666666666669,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.0,0.13636363636363635,0.060606060606060635,0.0375,0.02666666666666668,0.020833333333333336,0.005830903790087464,0.0078125,0.008230452674897117,0.010000000000000002,0.0,0.31384355343468157,45.42217670178067,70.1092517411348,90.84435340356134,7.570362783630112,45.42217670178067,2.220446049250313E-16,1.850371707708594E-17,-43.25238406694059,3000029.95615817,250002.49634651418,17.896959398362306,17.07,204.9660575850946,4.584962500721156,3.8066624897703196,4.465908118654584,5.1647859739235145,5.849324779946859,6.561030665896573,7.254884810077338,7.972810784121404,8.670943791222156,9.392078425231722,82.13842983884446,3.1354942159291497,0.0,4.204692619390966,0.0,5.424950017481403,0.0,6.717804695023691,0.0,8.052933036797567,8.365206834418355,170.167065324,5.004913686,22.650133015290752,1.8875110846075627,2.502900412339477,2.502900412339477,0.0,261.0,10.0,4.1049999999999995,44.0,1.2392727272727269,2.1404887854916885,2.879021013999407,3.625826184662347,4.965822362342289,5.983316466313143,7.32136935919948,8.366745601557035,9.62262713504544,10.794799307335381,82.47549766430299,81.98006518770124,81.90119798775137,111.92245137470486,142.37555616705598,176.12812542644883,163.20266183146364,143.021046195669,142.51304689278456,124.03940757613785,291.3164232530129,335.6410710105102,351.22165557613715,471.40431406334545,603.6532444064151,732.4050986728053,848.7843009680374,818.4843587810614,872.8591536953656,870.5047798479573,9.122248280484852,15.443942582061645,20.70504690025852,26.152994986591185,35.91335190092237,43.444699205325556,53.536669663460096,58.179709740204046,66.73445531926569,74.59180009888414,2.160031105898787,2.7250772764697744,2.956253407218455,3.926821562411874,5.066671363509884,6.111885515035119,7.374853182062417,7.658987003594362,8.373234619867992,8.710587130932806,177.640158948593,331.2930994400199,473.5170993888355,587.0336204446498,815.7033485877641,981.3092045503125,1200.6452078113653,1395.2760175989517,1617.871371861181,1834.8775918770223,2.7698434343434344,4.1242460879517795,5.555743769661054,7.196738400394252,10.217216825350175,13.388908615740775,15.703844096161518,11.700104698051668,13.400320387959907,15.125929009564985,0.4547759090909092,0.5907197693515835,0.6560727925416433,0.8701504834486965,1.1365802961354123,1.3809606704193231,1.6528026290783198,1.6523480013709002,1.8139380459893348,1.899680362132732,532.4609139497642,394.57468648760573,15.495986841961868,186.92326572334372,-138.51756445917516,-17.724894352264858,345.53764822642046,533.092250946781,33.22088119422673,0.7401621122551195,0.5484895242857613,0.021540627775555647,0.2598378877448801,-0.1925501955326822,-0.024638982692556766,383.0439577897445,283.85078715866007,11.147567782530016,134.46964017420603,-99.64734447878061,-12.751008583396562,0.17899147293433357,0.4037173911823057,2.6681651716465073,10.865055230149785,692.4716525750533,26.912527098054785,0.9625894927098841,0.037410507290115795,754.7034440157697,27.471866409397265,9.104556121326725,967.8182378150976,31.109777206130836,9.89155569370424,1303.486522929467,36.10382975432754,10.923676957861838,3.834927065568708,3.834927065568708,2558.8478850737656,2496.728011534254,95.49543522173326,1.024880512916318,26.7954994825911,26.144998509478892,5.596483097372862,6.867511425234296,13.734530188282859,0.9999282619051898,6.149027211689787,9.572324642427882,3.3295219727909333,33.36628164281908,13.854673373255013,0.14452475195925601,6.2391133443017,10.372539129470203,19.01954056545898,4.471754540233022,2.6771176460935853,16.86591246635684,6.52251022736905,11.423423557382389,0.4187152746093801,3.779192920229108,6.858092757303833,1.899625659524626,4.570321691821343,1.108024742919344,1.4477241814093056,0.03670987795976601,1.5285904360515281,0.9717478505063705,4.448434520775203,0.5758052645292107,0.001739885452548963,7.141739220766895E-26,5.656013149125159E-70,8.639582149278289E-136,0.5325390088782388,9.571932024116311,0.23203703906176204,9.550765538338597,0.29895818695316645,0.001414566600216012,1.2332081280321263,0.4799192600375505,8.499064078489477,0.06900758196290242,0.03331061914842271,2.6850100407596416,0.49590614396766153,3.331347194956908,0.017577982378091325,0.12387920680145349,0.2636370469661192,0.018325215985838538,2.1682714833873984,0.08370100033900704,0.15615255411071427,6.8329613619475E-4,0.012349896863442492,0.9393958858294583,0.19782803651337047,0.0040554493917823115,1.2254155504532618E-5,5.0299853278205575E-28,3.983576307481682E-72,6.084928349526558E-138,1.671722913751429,9.571841207903244,0.7802637991395263,10.907630561206483,1.286378548805511,0.011177696140899187,2.155838398201539,1.6183253713602568,9.073293259879684,0.4245787285794319,0.21947055713180527,4.28826111757077,1.0708560972358663,4.24453818272586,0.06831589769821439,0.44379183145162054,1.053324993165539,0.15211033672300922,2.4595464120264667,0.2763170536028472,0.3621166206790815,0.0036552176845300543,0.11625925900262937,0.945999603781168,0.7542538143203775,0.042260863633438145,1.2769774836078547E-4,5.241632525496264E-27,4.151193647743617E-71,6.34096449064842E-137,5.809290932640219,9.572340145331905,3.110167845078847,31.795597318219656,12.970624859193737,0.12888345043604052,5.988636572413403,9.892246630801962,19.79187068939016,4.010082469123973,2.390210017182194,16.571048786309685,7.230979487076366,10.666749314295018,0.3831406608796667,3.4046365448379734,6.257555718060418,1.695931272824987,4.352858005423497,1.0394897448498759,1.3482522107847128,0.032954195324461054,1.3630371739366955,0.9697672836664072,4.07811836619687,0.5130321281772395,0.0015502066141195002,6.363161069097983E-26,5.0394058875976146E-70,7.697712151922868E-136,2.456236567048276,9.571834779640717,1.1815563385913748,12.705925193051414,2.346727284018782,0.023654475055172573,2.8233363992049783,2.5505773351832,9.723697860450617,0.8299317452724913,0.4522242273889575,5.690022071326548,1.3281492522524405,5.09071317026084,0.11239281544853227,0.7899538257197727,1.7606220636128522,0.31824762202654405,2.7185950501932172,0.4134322969502725,0.5206288736341725,0.006996417120147899,0.24863300967214755,0.9505328514334668,1.2286284345437588,0.09179622863528764,2.7737657325910264E-4,1.1385526267055839E-26,9.016947312907158E-71,1.3773422195389533E-136,7.425863889130324,9.572576284243777,4.1754487374788125,44.48059762015412,20.121251177016468,0.21024996519229652,7.425218832035861,14.235015977314731,23.128424602976356,6.39927788828569,3.8813988608132686,21.6426633585075,9.347040659906904,14.521715064496929,0.562941346590461,5.337206737352229,9.30509586759119,2.754324964795291,5.45543925855347,1.3683946964980993,1.8391900550169782,0.052375571830434585,2.2241392189383147,0.9790810011683292,5.944555516282569,0.8397578442063827,0.0025374594153712232,1.0415555461603542E-25,8.248763616987132E-70,1.260001860320308E-135,3.952265692578737,9.09413928510169,1.8898558985197644,25.61423147229117,9.31239788807585,0.056502001071143816,4.67558864833131,7.654153310011423,26.143018761583072,1.8282033937964801,1.0635443315830917,17.45620081970151,11.519304750922602,7.008373705110952,0.1993028963744712,1.6209641819295413,3.1990297811366766,0.7488989153529465,3.685507834150796,0.6209259651072799,0.8080754436539357,0.015510381951139135,0.5966518026626864,1.479535718103742,2.5641755847184644,0.2232296246685095,6.745230536937775E-4,2.7687269531559807E-26,2.1927370307573156E-70,3.3494143683033317E-136,17.93893008103001,0.8246124791622153,0.4870062441176471,0.9318659048833863,0.042835790685489365,0.5729451404476952,0.6198216898440659,0.5882206618538716,19.250548804309872,23.93062799621663,50.3852973185895,0.8977988573250794,1.7809874921456328,14.574529845052101,0.48026747120039515,0.09800980644524816,0.9618369538420753,0.031694950467691975,0.378189173619502,0.21024853704430235,0.023823758580491256,15.152807122697745,8.475190363656209,24.31403404233654,0.942755430763113,0.6122614692442956,16.34864210880434,0.568261080590053,0.2537976818689606,0.952124332686105,0.03309480986539617,0.47586453700613146,0.29434914710920074,0.15975207890468518,17.170700871263353,13.583767844799121,33.11232456638639,0.9281864990291574,0.9299657630200173,17.682492721824037,0.8265943244652219,0.47223808680955953,0.9315731434888107,0.043547767011473934,0.5566816978915474,0.6228045790444452,0.5530867289652022,18.98132513309882,23.35694398158858,49.24061816616498,0.897359715233216,1.7325730059011948,17.04815284967425,0.623879840116432,0.3262537911102822,0.9472097728728255,0.03466329090707982,0.517457429099182,0.35478795460493906,0.2639868842997259,17.998286480900966,16.401566535804314,37.8698879716366,0.9208146593092383,1.136232268003847,18.086082881204018,0.8617719010731362,0.5156702247790715,0.9292295652841489,0.04427625010170115,0.5823834159946876,0.6769422535118558,0.6595008014386041,19.463525007056226,25.356922562159557,52.85772392908163,0.8938443479262235,1.9188264709451475,17.697681308628628,0.83077863067221,0.47262383560830806,0.9314037829778081,0.043722697111059,0.5576384457112658,0.6291259373667077,0.5539906784179378,19.001083774909144,23.459847248082898,49.40985095716707,0.8971056744667122,1.7407550614959113 +UMLCN0473,L,butyl hexanoate,CCCCCC(=O)OCCCC,Esters,,C10H20O2,NREL (2014),IQT,PubChem,,31,0,-1.3821000000000006,1.9102004100000016,41.9085,32.53985999999997,0,0,32,12,20,0,10,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1974.8984919999978,1972.7466949999991,2275.198447,2078.300969999996,1909.733968999997,1669.0972759999975,1482.4628829999979,940.2126759999996,669.0090990000001,5289.625460040612,6591.056047632473,8328.885258146749,8221.933049975307,7254.826988547397,6336.093057520731,5594.76941367994,4755.717694096496,3895.317199674074,236.47787200000016,232.77842000000004,430.28357200000005,542.25492,471.4384999999998,408.4137679999998,339.26659599999994,317.023888,271.6712760000002,38.06766609698002,48.60010620000001,66.66644565503702,68.47913293116801,58.74868842437606,50.59794324098005,44.650606163886046,40.234120002188035,36.41352986728203,5337.199172989981,4536.835788223001,9207.26132019784,12383.79621568827,10535.539005944976,9062.096607564632,7423.366056953588,6995.931050035639,6465.106663538683,107.77777777777777,75.5,133.58333333333331,148.66666666666666,147.41666666666666,132.33333333333331,121.74999999999999,101.5,55.25,61.71557787499993,63.63699016129029,39.227559431034486,28.08514824324319,30.313237603174553,30.909208814814768,32.94361962222217,22.386016095238087,17.154079461538466,165.30079562626912,212.61471121395073,143.6014699680474,111.10720337804469,115.15598394519678,117.33505662075429,124.32820919288756,113.2313736689642,99.87992819677113,7.389933500000005,7.508981290322582,7.41868227586207,7.327769189189189,7.483150793650791,7.563217925925922,7.539257688888887,7.548187809523809,6.965930153846159,1.1896145655306256,1.567745361290323,1.1494214768109832,0.9253936882590271,0.9325188638789851,0.9369989489070379,0.992235692530801,0.9579552381473342,0.9336802530072316,166.7874741559369,146.34954155558069,158.74588483099726,167.34859750930093,167.23077787214248,167.8166038437895,164.96369015452416,166.56978690561044,165.7719657317611,3.3680555555555554,2.435483870967742,2.3031609195402294,2.009009009009009,2.3399470899470898,2.450617283950617,2.7055555555555553,2.4166666666666665,1.4166666666666667,0.28284211918860125,-0.16299256125872025,0.04318736689524728,-0.008946653031201426,-0.008726322647701703,-0.012027984710360554,0.05152795391465724,-0.05749635895710822,0.0048737302758387,1047.5152474999995,-17.494444640626128,-140.73239784375068,124.9420054062501,-49.03596039062528,-97.42358415625031,-145.8687596718753,-505.5693933437502,-45.603650765624636,1532.8858307768633,-152.14829421327772,-528.249170955431,151.16892278964468,-0.8572185637961383,86.60651271749708,-164.44501745715638,-342.9542640537419,-139.72941810956286,2.07332,0.034305750000001634,0.8296845000000012,-0.18992949999999956,-0.4952582499999972,-0.6710004999999962,-0.4302787499999968,-0.8897214999999965,0.15925574999999575,6.783892946367493,-1.0554363209566229,-2.648907633815328,0.25078878501940466,-0.04497365474439265,0.824415064117341,-0.6613147826576709,-0.08725657916434461,-0.6898839780627662,37.64305050992998,-6.380821146064415,-14.479189542535101,0.5028133959187143,-0.5552031159829974,4.935110431261937,-3.657964155111197,1.7054808808286461,-3.7808735028545457,39.72222222222221,-0.029513888888886897,10.961805555555568,-3.1215277777777684,-8.807291666666659,-10.94791666666666,-2.755208333333335,-16.260416666666682,2.567708333333332,0.008838816224643789,-0.005257824556732911,7.446097740559875E-4,-1.209007166378571E-4,-1.3851305790002702E-4,-2.227404575992695E-4,0.0011450656425479387,-0.0013689609275501957,1.2496744297022308E-4,32.734851484374985,-0.5643369238911654,-2.42642065247846,1.6884054784628393,-0.7783485776289727,-1.8041404473379687,-3.24152799270834,-12.03736650818453,-1.1693243786057599,47.90268221177698,-4.908009490750894,-9.107744326817777,2.0428232809411444,-0.013606643869779972,1.6038243095832794,-3.6543337212701417,-8.165577715565282,-3.582805592552894,0.06479125,0.0011066370967742463,0.014304905172413814,-0.002566614864864859,-0.007861242063492018,-0.012425935185185115,-0.00956174999999993,-0.021183845238095154,0.0040834807692306605,0.21199665457398414,-0.03404633293408461,-0.04567082127267807,0.0033890376353973603,-7.138675356252801E-4,0.01526694563180261,-0.014695884059059352,-0.002077537599151062,-0.01768933277084016,1.1763453284353118,-0.20583294019562628,-0.24964119900922588,0.006794775620523166,-0.008812747872745991,0.0913909339122581,-0.08128809233580438,0.04060668763877729,-0.09694547443216783,1.241319444444444,-9.520609318995773E-4,0.18899664750957876,-0.04218280780780768,-0.1397982804232803,-0.20273919753086408,-0.061226851851851886,-0.3871527777777781,0.06583867521367519,-0.5948561914969338,0.0842431559986412,-0.013678383345132791,-0.015670996475052202,-0.02520025894171661,0.12954966066104465,-0.15488057368285943,0.014138481872922905,-0.017239635993477317,-0.07412346604464175,0.051578223266684126,-0.023777367005941494,-0.05511375080467745,-0.09902375742427265,-0.36772326625432256,-0.035721083969600484,-0.10245792644872502,-0.19013015360084823,0.04264527969247851,-2.8404764079024264E-4,0.033480887406112214,-0.07628662013359486,-0.1704618058643438,-0.07479342339774146,0.017080039307379412,0.2207845221756613,-0.039613603146487514,-0.12133184748699892,-0.19178415581093305,-0.1475777979279599,-0.32695534100816326,0.06302518888323132,-0.16059844435989845,-0.2154318018105306,0.015986278850521337,-0.0033673528342219637,0.07201503090924787,-0.06932130173747943,-0.00979986030122012,-0.0834415656529467,-0.17497662907320774,-0.21221761414335727,0.005776174271513517,-0.007491633332252921,0.07769056560442128,-0.06910223585783933,0.034519359797848925,-0.08241242778693021,-7.669749605232961E-4,0.15225464190981455,-0.03398223398223389,-0.11262071262071256,-0.1633255633255633,-0.04932400932400937,-0.3118881118881123,0.05303926842388381,1.6239115509937456,0.9442954068400605,1.107565380268242,1.402098789061871,1.6185613673740253,1.3969559631993946,1.247299028518797,0.16352119983540983,1.1785186983638645,1.115199233626563,0.9117529167710483,1.0627734234772175,1.1312534417486075,1.1756255656157735,1.4376592567610031,0.8268019056650102,1.5023605150477273,1.3030631187472659,0.8870634774425449,0.9242006391189377,0.8766305978009866,1.0462909668813787,1.1022155666350026,1.0506502496283783,0.7108675940038195,0.7073768408755708,1.0791140570470341,1.5239462571953457,1.8035216017823623,1.606053543752693,1.8785536976351704,0.08183040504341596,1.6501408464124052,1.359171197563814,0.9043707091918401,0.9176025603335666,0.8265144107707861,1.0401327600150334,0.9397013081359659,1.0613086845893696,1.6738177067137263,1.3603708117345952,0.9146581292434275,0.9314402798167052,0.8358622810072164,1.053047964865962,0.9111813547932621,1.0389554454242964,0.5769230769230771,0.504207861104413,0.9298242298242301,1.5195471195471197,1.7812354312354317,1.861445221445222,2.23906093906094,0.08004303388918776,82.86492972904394,41.68246486452198,64.41617960845281,83.28159639571062,6.9401330329758855,41.68246486452198,0.5000000000000284,0.06065100558143616,0.0050542504651196795,-3.363142876387659,87.45037438368446,7.287531198640372,5.3652857790869755,82.88344820141995,41.69098967980866,64.4301944832414,83.29889083325111,6.941574236104258,41.69098967980866,0.49853115819735905,0.06045282736454771,0.005037735613712309,-3.3670703172747527,87.5714654929032,7.2976221244086,5.366946250195612,99.35243117840415,49.27722111114404,77.36631341366262,98.68744038164076,8.22395336513673,49.27722111114404,-0.7979889561160789,0.07275922727485196,0.006063268939570997,-3.144719454696372,74.87079959158493,6.239233299298744,5.178916747101883,82.90288383465972,41.69993671754878,64.4449050690696,83.31704183502458,6.943086819585382,41.69993671754878,0.4969896004378498,0.06024497146025487,0.005020414288354573,-3.3712034056020475,87.69931197497276,7.3082759979143965,5.368696864963329,116.91319311987141,57.37430229559652,91.80726879199753,115.10936934597277,9.592447445497731,57.37430229559652,-2.1645885286783653,0.151765570500913,0.012647130875076082,-2.2625018976478555,55.639297822543966,4.636608151878664,4.822667696356583,84.80504857526765,42.57565847351213,65.89234957430105,85.09360555173149,7.091133795977624,42.57565847351213,0.34626837175661507,0.04057222661422666,0.003381018884518888,-3.8456058240008772,105.4829857222207,8.790248810185059,5.590259600562132,82.84434065426811,41.62534021102583,64.47335316663292,83.54891911798114,6.962409926498429,41.62534021102583,1.1760317460317609,0.16215510470234595,0.013512925391862163,-2.1830423584385232,69.84096277209623,5.82008023100802,5.0954648361994765,0,11.889999999999999,15.995919664602553,-0.31565897729376435,0.2614893086495813,4.271900136082953,7.2130779028146135,11.0,31.0,30.0,30.0,10.0,1.0,1.0,0.0,0.0,1.0,24.738139999999994,3.572067571025261,3.3636758326626146,3.2005649148348225,2.7978757838442596,2.5993963228299477,2.082261579420541,1.9309427527307317,1.5115249497436614,1.8745150480509656,1.8148699034084999,1.5858539863980017,1.3955853960221452,1.1723383749813996,0.9100054213667447,0.7897553835528068,0.5925098130952199,3.5118357453650857,3.3791947735568217,3.160960668509382,2.794944889105261,2.5802215676123486,2.093887011818194,1.919549837974905,1.568540114731991,1.8351508053406882,1.7566524432953985,1.5541123781756814,1.332878077494933,1.1208916920206484,0.8285535755946654,0.7001208174233833,0.4937570425583214,3.6712030813392094,3.5326064317936203,3.35131970821739,3.0312310064682797,2.828634595942933,2.422412037986989,2.2743629721007337,1.9857903305657336,1.6412888380414716,1.5462576688391767,1.311558248695883,1.0277498588156972,0.8052610100899241,0.4194240307836956,0.2796830591854359,0.00822344137181658,3.51559792741139,3.3978659431288962,3.160542656420821,2.8126503193760017,2.5928723825781597,2.1201730917460386,1.9560264820730535,1.6200645465099466,1.82024612039483,1.7187585223144037,1.5379148693300266,1.2899159765139698,1.0880913901168268,0.7730201447014915,0.6419842203295785,0.42575939072773783,3.7050807802487338,3.596574926759877,3.397891170939026,3.1146556707536384,2.90559534081362,2.538893032169552,2.396953710277454,2.1436587033078665,1.5964081417923133,1.485337496494644,1.2623844384247749,0.9464553373452272,0.7294481057728399,0.3079726363048791,0.15490556485707677,0.13993471914653277,5.024002224844138,3.520666630697299,3.4617759573755467,3.1594865447821876,3.014854319512061,2.511838526304037,2.354141120148794,1.8904618997521228,1.7255548716783968,1.6400709543107945,1.3321193585040014,1.0944295977515022,0.837922682176362,0.5364943705252148,0.40225719379275715,0.1697200746297868,0,0,1,0,0,3,6,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.08333333333333333,0.08838834764831845,0.08333333333333333,9.234204518682008,5.8080604124904465,4.09673554708526,2.6009536313038994,1.6299361269508954,0.9855985596534889,0.7093056307728542,0.24639963991337221,0.7695170432235007,0.528005492044586,0.37243050428047825,0.26009536313038994,0.18110401410565505,0.12319981995668611,0.10132937582469347,0.061599909978343054,8.26624404923356,4.964690378025045,3.0311303522373056,1.7453948993433328,0.9218481522075893,0.48178674773805713,0.290809066946443,0.12319981995668611,0.6888536707694634,0.4513354889113677,0.275557304748846,0.17453948993433327,0.10242757246750993,0.06022334346725714,0.041544152420920424,0.030799954989171527,16.847876246692447,31.539694100509827,29.9529411764706,30.399999999999988,18.946023952095814,246.5915928143713,0.526496132709139,0.9856154406409321,0.9360294117647062,0.9499999999999996,0.5920632485029942,7.705987275449103,2.910000000000002,50.00900000000003,45.42217670178067,70.1092517411348,90.84435340356134,7.570362783630112,45.42217670178067,2.220446049250313E-16,1.850371707708594E-17,-43.25238406694059,3000029.95615817,250002.49634651418,17.896959398362306,161,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.960527210884354,-0.030648148148147758,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.2242063492063493,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.215610512723607,0.0,6.5211770912068525,0.0,0.0,0.0,0.0,0.0,0.0,-0.030648148148147758,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.97047052154195,4.990056689342404,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.990056689342404,-0.030648148148147758,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25286281179138326,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.08821341962711,0.0,0.5947959183673469,0.0,0.0,0.0,0.0,0.0,0.0,-0.030648148148147758,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.97047052154195,4.990056689342404,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.97047052154195,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.127397093096498,0.0,1.1549999999999998,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.97047052154195,4.990056689342404,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,26.666666666666664,2.222222222222222,0.5559027777777779,10.97047052154195,0.11486961451247168,-0.030648148148147758,4.96867248834719,1.6973148148148145,3.97047052154195,11.352275447215925,1.6973148148148145,3.97047052154195,11.352275447215925,5.66666,0.47222,0.0,0.02778,0.49792,0.82778,0.42632,0.49792,0.82778,0.0716,0.0,-0.0716,0.0,0.57047,0.14382,0.0,0.23529,0.08824,0.0,7.75,0.64583,6.25,0.52083,1.5,0.125,-4.75,-0.39583,0.0,0.0,11.22622,0.93552,14.6225,3.39628,0.28302,4.75049,0.39587,5.80805,1.05757,0.08813,0.10595,0.00883,0.10595,0.00883,0.0,11.02,2,2,2,2,0,0,0.9,1.198192411043098,1.8734936758692482,3.2272170014624826,3.8042292966721747,3.875,4.054229296672174,38.342157153379134,59.95179762781594,103.27094404679944,121.73533749350959,124.0,129.73533749350958,0.23963848220861958,0.37469873517384966,0.6454434002924965,0.7608458593344349,0.775,0.8108458593344349,3.801807588956902,3.1265063241307516,1.7727829985375174,1.1957707033278253,1.125,0.9457707033278258,0.23963848220861958,0.37469873517384966,0.6454434002924965,0.7608458593344349,0.775,0.8108458593344349,10.71860944884017,19.071906790503974,23.737187090519868,24.059406540874683,25.764060882749998,23.62435186337468,43.93974703476992,29.34186086912346,23.085891890165694,21.542292966721746,18.875,21.3713343733774,12.0,9.090909090909092,9.0,12,3,6,2.34,1.5920000000000014,0.09999999999999998,3.5507128255564586,0.3999999999999999,0.0,6.9491023546208295,2.8232671240068745,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,5.354,11.0,10.0,9.0,8.0,7.0,4.0,3.0,2.0,1.0,78.0,2.5649493574615367,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.3978952727983707,2.302585092994046,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.6931471805599453,4.499809670330265,1.141025641025641,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.7272727272727273,10.0,0.9090909090909091,0,5.0,10.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.16666666666666669,0.04081632653061225,0.03125,0.02469135802469135,0.020000000000000004,0.0,0.13636363636363635,0.060606060606060635,0.0375,0.02666666666666668,0.020833333333333336,0.005830903790087464,0.0078125,0.008230452674897117,0.010000000000000002,0.0,0.31384355343468157,45.42217670178067,70.1092517411348,90.84435340356134,7.570362783630112,45.42217670178067,2.220446049250313E-16,1.850371707708594E-17,-43.25238406694059,3000029.95615817,250002.49634651418,17.896959398362306,26.3,196.460299659789,4.584962500721156,3.8066624897703196,4.465908118654584,5.1647859739235145,5.849324779946859,6.561030665896573,7.254884810077338,7.972810784121404,8.670943791222156,9.392078425231722,82.13842983884446,3.1354942159291497,0.0,4.204692619390966,0.0,5.424950017481403,0.0,6.717804695023691,0.0,8.052933036797567,8.365206834418355,172.14632988,5.37957280875,22.650133015290752,1.8875110846075627,5.437470702121894,5.437470702121894,0.0,261.0,10.0,3.551,44.0,1.2379999999999998,2.129724639138008,2.8573465164793865,3.6356214291963584,4.906270696351317,5.9009507316970184,7.108431552291795,8.130731410686796,9.356223764478367,10.470378808989814,89.80198580716126,92.13672914393729,93.02121363512845,134.7820115803857,171.63028663303533,221.421956873116,178.1661777358471,158.73540138841867,138.72478778255174,120.76396098816497,287.2068983513688,325.9268069608389,346.5765163225833,480.7184299858534,625.0831913257265,801.6713260537174,860.7500543123185,877.8843907960489,848.000550538854,847.6806908512369,9.349043292645163,15.88884575454883,21.01427066560003,27.396026399388983,37.27140516487959,44.637801795258156,53.788871884628165,56.830665566915265,64.88072709854485,72.36587469030553,2.065036247116128,2.560834112542276,2.802387615928935,3.7596310385690153,4.878288225057133,6.2626123856631875,7.154912479718948,8.025870218418863,8.133707605640865,8.475407275598638,179.25789310602818,334.9009380831859,474.6006903444779,595.7136795964933,815.8516931133744,960.3022235966645,1174.431760040606,1333.3591752822756,1573.592662474396,1778.4745570777252,3.0978091397849457,5.112382850238292,5.872743513781856,8.745208912368005,12.249854766125615,16.25343387728038,17.296101809663856,11.866135124816015,13.013426574719691,14.70346494701505,0.45429241935483883,0.5835600008576091,0.6527526319312229,0.8945871572540907,1.1705566005207093,1.4857235132977864,1.6595095959119686,1.7235103232073214,1.762071951526419,1.8480583669244737,490.0512129970931,464.591448818344,14.989853305547285,196.16198613169655,-185.97072902368146,-20.295791671372317,293.88922686539655,650.5621778420254,35.2856449769196,0.7141384246459525,0.6770365965099263,0.021844309209700825,0.2858615753540476,-0.27101013104934196,-0.02957651018246178,336.2796106076791,318.8087843815152,10.286235191270864,134.60894405088874,-127.6155689076537,-13.92724013166384,0.27577701298410595,0.33290489493485087,1.3529591652476765,3.1855331576921793,642.2626860604576,43.950513068332114,0.9359521018771845,0.06404789812281564,834.3108672138643,28.884439880563104,9.414038429386283,1028.051588849617,32.063243579675735,10.092644348094845,1452.4544578152158,38.111080512302664,11.324894752670367,2.9544486190152948,2.9544486190152948,2419.1575247971846,2342.281183623994,106.92266976990368,1.0328211410784793,22.625300415741425,21.90631031440344,5.557760695577595,6.867511425234296,13.423730478524176,0.9546717358487982,5.5912371262906015,8.08709761149087,4.429440104653841,30.318571386784296,10.049958618522005,1.7334457881669842,8.637781840448008,12.939566050942085,15.655948222138907,2.4011438083732637,7.3149921270787495,7.626639279235058,6.932570110761674,2.1619289643677027,2.571139054592622,13.204718627715366,4.452059193483961,1.2273419094544666,0.3856324553669174,1.2310784587888484,5.973367223467335,6.0566914259902624,0.39258158584425284,3.0361815628034385,0.00388807976161152,1.152472670610826,7.562997079220985E-15,9.868803670897944E-51,2.4837680710126412E-108,1.2056839382062964E-187,0.48574130817274347,8.237894321710586,0.3749775859334962,7.511834541293939,0.14993854857125566,1.6891582721842584,1.163822123147778,0.7151387623215859,5.192182382935946,0.23766702842847207,4.76869715228606,2.0123480676044685,1.0530638691634522,0.024047968482456508,0.11141256750286178,3.527334737524687,0.20848305988507285,0.621150422425855,0.0036890214390699143,0.012099218938971878,1.3544706211124329,0.3052608923818228,0.3538497882366484,0.022614674303519385,3.056212378257992E-4,0.008116959251368664,5.326680681956667E-17,6.950679117968111E-53,1.749338161014677E-110,8.491730559878034E-190,1.5206147175449292,7.956823384609356,0.9623514519212583,9.061820364982218,0.8337817107892668,1.5166176272400451,2.1088290593470287,2.023106185633729,5.0759410685813116,0.45601412229504024,4.761140590590521,1.6379223107316583,1.6329764859601532,0.170603322116059,0.29805998440222753,4.955539599544375,0.781829071912466,0.7225287846094075,0.030781213864424225,0.09916291145144521,2.0513654897435027,1.119205084494983,0.36144329029351663,0.22599997508472716,0.0010002081679923924,0.08458497360773934,5.550811959838135E-16,7.243143541099624E-52,1.8229452384584502E-109,8.849037959260465E-189,5.282786855238347,8.2376430108614,4.6555859917685956,29.613931281502154,9.219726858836877,1.8155270463493085,9.06869071958298,12.411786562704021,16.936135461171556,2.856914247789808,7.295257610408916,7.890718934444257,8.026755713367875,1.9304572116605905,2.611624351537614,12.418710627905181,4.088666921495728,1.182321694949095,0.34425381704537755,1.099229523541427,5.60360319224667,5.577220835699489,0.3900999066135429,2.706030372746676,0.0036557918590178077,1.026832400923583,6.7384942368468334E-15,8.792926397344119E-51,2.2129926346483286E-108,1.0742426823598316E-187,2.2335245704976936,7.850036362031587,1.2951406462118766,10.717722998801714,1.6371074807287826,1.4597674093490745,2.686291229910393,3.111169187435054,5.299455697621642,0.5030318301216163,4.928675637203616,1.7510339092172387,1.7910575010432697,0.35736599747171033,0.4431105186473351,6.098419258978373,1.2623688402844009,0.7987604774842998,0.06448369034718854,0.20695809928053804,2.6027808267353705,1.7848571865167788,0.3667487742405911,0.48787409709997226,0.0014879081738062272,0.183729865480786,1.2057105313051543E-15,1.5733075648113626E-51,3.959680651956426E-109,1.9221292914614494E-188,6.7522515993910055,8.182647304846242,5.903382516259573,40.66801932581796,14.646258874013881,1.8606345420727564,11.43528531754951,17.907097299141075,20.930624722487625,3.4454463492020917,8.37780543593828,10.729039040600764,9.75695262420718,3.140047072252482,3.7464801631113422,16.33473154474565,5.915171298506002,1.4030122635927458,0.5592724151737284,1.784229160647809,7.441217251283316,7.976576702483539,0.40189564408083855,4.423971969351058,0.004762866450206534,1.680773078891619,1.1029920457682712E-14,1.4392722668313344E-50,3.622342303141986E-108,1.75837671180099E-187,3.5804706678450104,8.140446496524667,3.7320607640454666,25.111542220548156,5.507723091384103,1.8256964190731104,7.884493553865768,9.844837128921007,24.87772710127235,2.8115094298703256,6.39570606841769,12.786245085680797,13.064812861883656,0.8451666007735082,1.8253596353348955,8.435356572346043,2.1441709847549264,1.0489031355911305,0.14995065787755296,0.47955748827964484,4.294786915472567,2.9708878978746367,0.5677427823093337,1.167804558400077,0.0028723440242204,0.4409503256668056,2.893696406121325E-15,3.7759265825520887E-51,9.503204437926994E-109,4.613096160636271E-188,17.791152867588103,0.8319297182875214,0.4658287593750001,0.9320150607758253,0.04358183152726034,0.5934237782537063,0.5555354121850526,0.5624848934774355,19.088911345250626,23.47615624985941,49.45979384214303,0.8980225911637381,1.7114440839161946,13.528783720670907,0.5525498291715936,0.08722323625049334,0.9548455728356151,0.03899831419061279,0.34312843246051716,0.2450679411109321,0.019720715178179162,14.168556786092994,8.703546616696055,23.524125627426386,0.9322683592534228,0.6079170887496285,16.011470445932964,0.5986226375971828,0.23969689229597035,0.9502474789836631,0.03552700885031852,0.48063233302585584,0.28764964828634454,0.14893030361894458,16.849789975826116,13.566216363022699,32.71345998427398,0.9253712184754946,0.9172122849311449,17.33813371421725,0.8374406999772424,0.446121612525402,0.9310716751760479,0.04497123671096422,0.5635852603807542,0.5629291666306884,0.5158991291086513,18.621696026719896,22.628175400169003,47.72740503920184,0.896607512764072,1.6424135561200939,16.997946819674198,0.6406917155241043,0.3141468827737512,0.9468139023517769,0.03568759390856,0.5416857720003544,0.32949236768272716,0.25581368714691516,17.952785417972056,16.431567020490064,37.80555138144272,0.9202208535276655,1.1269918268299968,17.905570817549936,0.8672720767091251,0.49223299770090145,0.929431626325573,0.045017838578620406,0.6010815334705014,0.6037372750264245,0.6280579483839892,19.265075891959963,24.769614320808046,51.67857721553385,0.8941474394883594,1.832876756880915,17.444884427570518,0.8489690348804144,0.44911605111301317,0.9307428267941199,0.04529533243203704,0.5705481080317495,0.5785288031086359,0.5228479644997099,18.742969513563946,23.026229922770998,48.42068301920157,0.8961142401911798,1.6719248756400953 +UMLCN0474,L,2-heptanol,CCCCCC(C)O,Alcohols,,C7H16O,NREL (2014),IQT,PubChem,,25,0,-1.5601000000000003,2.4339120100000007,29.4063,23.79068799999998,0,0,24,8,16,0,7,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1282.0738719999983,1255.4820269999996,1434.6134149999982,1152.7039929999974,902.5716480000003,702.7667270000002,506.0099980000001,144.307296,12.192768000000001,3678.3490001045525,4646.8937887550455,5984.309997096021,5791.817305064724,4641.827662879195,3541.778084631285,2534.9797396761583,1391.118395210263,373.00493317116315,173.63075200000003,171.51262800000003,312.366956,412.5004599999998,361.11367199999995,278.07338000000016,215.18848000000014,152.14003200000002,80.62156799999998,27.27931047758398,35.31067263600001,49.44268478449005,51.45100877637607,42.82392198292307,32.46855440897998,23.447025549583977,14.289856081339005,5.335354858188001,4031.694210820485,3396.131957344651,6803.082927041141,9546.284382234428,8653.077413564224,6619.369302452881,5140.414147414284,3661.504836345489,2219.011824290988,70.77777777777777,53.75,87.50000000000001,109.91666666666667,84.66666666666667,69.33333333333333,60.0,43.0,12.0,53.419744666666595,54.5861750869565,33.36310267441856,20.222877070175393,17.697483294117653,18.019659666666673,16.866999933333336,6.8717760000000006,1.016064,153.264541671023,202.03886038065414,139.1699999324656,101.61082991341621,91.01622868390578,90.81482268285346,84.49932465587194,66.24373310525063,31.083744430930263,7.234614666666668,7.457070782608697,7.2643478139534885,7.236850175438593,7.080660235294117,7.130086666666671,7.172949333333338,7.24476342857143,6.718463999999998,1.136637936565999,1.5352466363478263,1.1498298787090708,0.9026492767785276,0.8396847447631974,0.8325270361276919,0.7815675183194659,0.6804693372066193,0.4446129048490001,167.98725878418688,147.65791118889786,158.21123086142188,167.47867337253382,169.66818457969066,169.72741801161234,171.34713824714282,174.357373159309,184.917652024249,2.949074074074074,2.3369565217391304,2.034883720930233,1.9283625730994154,1.6601307189542485,1.7777777777777777,2.0,2.0476190476190474,1.0,0.22917088110523878,-0.11004581749433191,0.006261260576076978,-0.032003200649943546,0.017766697599500274,0.0014802064764566827,0.011498876553301611,-0.02933724664313392,0.01979378302945451,719.4334713333333,-66.68627802777715,-165.96676247222172,-207.70349775,50.74548874999971,6.402152416666468,6.153650166666523,-159.04082508333352,176.37933633333296,1116.2736328932049,-77.08945915961652,-398.4110344411347,-217.3086558774823,51.77042640421901,-16.651024301526345,-17.1892848415583,-154.79054489235634,271.53276066285406,1.1030393333333326,-0.08516669444444282,-0.004600805555554782,-0.2959817499999996,0.012804749999998657,-0.023929583333333816,-0.036811833333333405,-0.21324208333333292,0.09540833333333182,4.928582617861332,-0.2381160221551012,-2.06306196654288,-0.5849137871320007,0.09031025928299663,-0.18829552933333635,-0.20006777933333672,-0.347480638182337,1.0673341544653285,27.133886145623816,-1.1396930720233838,-11.693476319046557,-2.6160986284970904,0.2414437345168695,-1.2372762955807168,-1.324135437182278,-1.3651506089828382,5.5674435539840985,24.48148148148147,-3.73456790123457,1.9290123456790123,-6.518518518518524,-0.28703703703703554,-1.2685185185185193,1.2037037037037055,-5.379629629629627,1.8148148148148169,0.009548786712718282,-0.004784600760623127,1.4561071107155763E-4,-5.614596605253253E-4,3.483666195980446E-4,3.795401221683802E-5,3.832958851100537E-4,-0.001397011744911139,0.0016494819191212092,29.976394638888888,-2.89940339251205,-3.8596921505167843,-3.6439210131578945,0.9950095833333276,0.16415775427349916,0.20512167222221744,-7.5733726230158815,14.698278027777747,46.5114013705502,-3.3517156156355012,-9.265372893979876,-3.8124325592540753,1.0151064000827257,-0.42694934106477805,-0.5729761613852767,-7.370978328207444,22.627730055237837,0.045959972222222194,-0.0037028997584540356,-1.0699547803615772E-4,-0.005192662280701747,2.510735294117384E-4,-6.135790598290722E-4,-0.0012270611111111136,-0.0101543849206349,0.007950694444444318,0.20535760907755551,-0.01035287052848266,-0.047978185268439076,-0.010261645388280715,0.0017707893977058162,-0.004828090495726573,-0.006668925977777891,-0.01654669705630176,0.0889445128721107,1.1305785894009923,-0.04955187269666886,-0.27194130974526876,-0.04589646716661562,0.004734190872879795,-0.03172503322001838,-0.04413784790607593,-0.06500717185632562,0.46395362949867486,1.0200617283950613,-0.1623725174449813,0.04486075222509331,-0.11435997400909692,-0.0056281771968046184,-0.032526115859449214,0.04012345679012352,-0.2561728395061727,0.15123456790123474,-0.5010689739514644,0.015249132214631506,-0.05879905766221612,0.03648281505063317,0.0039747470918254,0.040140794494815946,-0.14630253946822605,0.17274256601880325,-0.09672288570522769,-0.12875771743108624,-0.12155968244528559,0.03319310395128321,0.005476234091892242,0.0068427732785486355,-0.2526445462921287,0.49032841356810203,-0.07206223671767756,-0.19920648746237232,-0.08196769925036074,0.02182489390064829,-0.009179455541735432,-0.012319047470112783,-0.1584768059230001,0.4864985656950152,-0.08056792855639802,-0.0023280144191302216,-0.11298227630762216,0.005462873828508133,-0.013350292225207208,-0.02669847373227556,-0.22093975321693374,0.17299171561727059,-0.050413863771528365,-0.23363237176334478,-0.049969638010370944,0.008622954881779221,-0.023510648168401652,-0.03247469625174346,-0.0805750375193194,0.43312012285125434,-0.04382877330351942,-0.2405328672368984,-0.04059555664408316,0.004187405384519162,-0.02806088273511978,-0.0390400528719204,-0.057499029670080685,0.4103683139307358,-0.1591791093863055,0.0439784681419977,-0.11211083685006784,-0.005517486873720718,-0.03188641917840106,0.0393343419062028,-0.2511346444780635,0.1482602118003028,1.4330909963050984,0.729790073039344,1.1153496706028188,0.7989604226946732,0.8818316394137155,1.0810565309331581,1.678099584901129,0.43940000120404255,1.429336027547091,1.220490984676997,1.100447672946267,0.8288753280325599,0.885430206915508,0.8930304803249692,1.1582527361073578,0.0,1.5653899874158763,1.3849253780409003,1.0174921110758774,0.8592457359963854,0.885752868091628,0.842239705844378,0.8959096731252592,0.0,1.0462219842266132,0.8170074462474981,1.282027861709438,0.7169310407681766,0.9121655331164938,1.1528476167969837,1.7622199372418015,0.0,1.6098004675905848,1.4480599092157453,0.9821504632762303,0.8649611797563466,0.8902499530198579,0.8442158722658412,0.7888662970986225,0.0,1.6135370244008742,1.4566857738895362,0.9762822167000188,0.8639714831646471,0.8921667720864214,0.8508820860447956,0.7723600702627319,0.0,1.135779122541604,0.7586285754494602,1.277370809777849,0.7184301859927029,0.9294483882229725,1.1012859304084723,1.8342338448238606,0.0,39.841434905115534,20.045717452557778,31.95847775087163,40.02893490511555,5.0036168631394435,20.045717458924027,0.2500000000000213,0.09480360311049929,0.011850450388812411,-1.8847582903589677,34.64912498820067,4.3311406235250836,2.8362179779610175,39.84468336034659,20.046974469722663,31.96001955237361,40.03163254467064,5.00395406808383,20.0469744760799,0.24926557909873281,0.0947430696387127,0.011842883704839088,-1.885269265079581,34.645760988021486,4.330720123502686,2.836140304115176,42.782562994733084,21.191784258337528,33.407422953812045,42.483317136189555,5.310414642023694,21.191784260208454,-0.39899447805802524,0.03612931014532428,0.004516163768165535,-2.6565206621482833,32.566242102101135,4.070780262762642,2.7866209868101386,39.84809285105138,20.048293825635156,31.96163791428325,40.03446395121558,5.004307993901947,20.048293831982942,0.24849480021892845,0.0946795267422012,0.01183494084277515,-1.8858059942775462,34.642233074960465,4.330279134370058,2.8360588374631415,46.0004010687767,22.459053402218768,35.13976181775286,45.18868037052233,5.648585046315291,22.459053402734316,-1.0822942643391684,0.03912915103061976,0.00489114387882747,-2.592710031296328,32.44463518051145,4.055579397563931,2.78362808301293,40.182511165384696,20.177822675631504,32.121020202407806,40.312361804793426,5.039045225599178,20.17782268112387,0.1731341858783111,0.08840317383171464,0.01105039672896433,-1.9406779255274753,34.31010940697425,4.288763675871781,2.8283520365146444,43.446390007177264,22.01287754327117,35.82000835291583,43.88091381670107,5.485114227087633,22.012877544237295,0.5793650793650755,0.10139659238905213,0.012674574048631516,-1.8309726352163087,32.77373846696853,4.096717308371066,2.791702030558908,0,11.996320081973378,15.997942763063627,-0.41849107155795445,0.07759491121463791,4.537045477674293,7.1309112914314,7.0,23.0,23.0,23.0,7.0,0.0,0.0,0.0,0.0,0.0,17.491311999999997,3.498589235429024,3.21650812836483,2.7335383654526244,2.205462336017784,2.044505812006225,1.5670160611479058,1.194652794745772,0.8947934121272213,1.8939496933642779,1.6895279339061124,1.4125804666312824,1.0885342450512994,0.8035902383078732,0.6382960956284683,0.5338903135441279,0.29128362126739027,3.5066811026797238,3.2194139672958206,2.7665790917021242,2.257893912987272,1.9128552665456626,1.6006211038906317,1.2988037203472869,0.9664404227501668,1.8422105410574294,1.6347752919664027,1.322830852317373,0.9805369536209941,0.7560334633789988,0.562483220058581,0.3900176551461737,0.1582902910923823,3.6444791382849706,3.3957546189678376,2.99192337681563,2.5598112244602627,2.3616029193135177,2.038104791372012,1.7779554218320452,1.5153555949413104,1.6536521616758173,1.3988310517200861,1.0230431733065504,0.6031915464592781,0.26983804180674803,0.043988393711254035,0.14962584463535297,0.43994163470647024,3.523096581328426,3.236829773236832,2.7995056786296795,2.306363739145228,1.9207334242231369,1.6352486635017551,1.3768769668604706,1.032341183226902,1.8105604738935654,1.5998446024004682,1.2652251393975034,0.9122792420895571,0.7367592252045152,0.48530748249382333,0.2880470964749222,0.0585152631681486,3.699427641588423,3.4612763413746017,3.0899329961960467,2.6876822615412044,2.452827812975121,2.1974385038195785,1.9751228358083954,1.718850967264521,1.5998986815124518,1.3345038388832164,0.9286625935470524,0.47782657872404755,0.15510986859262754,0.1028024765385405,0.34161988104227986,0.6395645000025906,4.3775205480402635,3.4706608900897313,3.1263471476953004,2.8784979420457857,2.403715174838182,1.8794085072614728,1.5396505470418593,1.3035134290616295,1.7581292233507118,1.4584492303105463,1.1020926986439727,0.7451081758212864,0.40485270758435027,0.16396473020259145,0.04670258106814932,0.3470439844368061,0,0,0,0,0,2,5,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.18257418583505536,0.0,0.0,0.0,0.2886751345948129,0.20412414523193154,0.14433756729740646,0.12909944487358055,0.09128709291752768,0.06454972243679027,6.405777393935816,3.770055610029662,2.8896287658987125,1.385027805014831,0.8025858577612696,0.4330127018922194,0.2886751345948129,0.0,0.800722174241977,0.5385793728613802,0.4128041094141018,0.2770055610029662,0.2006464644403174,0.14433756729740646,0.14433756729740646,0.0,5.852990989435774,3.4509042305871973,2.3448032818274402,1.2254521152935987,0.6897488054468657,0.3532248570316032,0.20888728973419673,0.0,0.7316238736794718,0.4929863186553139,0.33497189740392,0.24509042305871973,0.17243720136171642,0.11774161901053441,0.10444364486709837,0.0,12.049421534703852,23.433357611070644,22.152941176470595,22.48,13.868675449101792,185.63786706586828,0.5020592306126604,0.9763899004612768,0.9230392156862748,0.9366666666666666,0.577861477045908,7.734911127744511,1.9475000000000011,35.82279999999999,20.479216967352045,32.49588583122389,40.95843393470409,5.119804241838011,20.479216971305924,0.07348346977903569,0.009185433722379462,-2.088555839218289,33.639794315006135,4.204974289375767,2.8125677766302264,65,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,4.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5770918367346938,0.0,8.778993764172336,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5770918367346938,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0229081632653063,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.011608087679516,0.0,4.638518518518518,0.0,0.0,0.0,-0.09578703703703728,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.778993764172336,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5770918367346938,0.0,8.778993764172336,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5770918367346938,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22040816326530613,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8429166666666668,0.0,0.9661111111111111,0.0,0.0,0.0,-0.09578703703703728,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.778993764172336,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5770918367346938,0.0,8.778993764172336,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5770918367346938,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1686914210128494,0.0,1.2548611111111112,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.778993764172336,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.333333333333336,2.166666666666667,0.5770918367346938,8.778993764172336,0.22040816326530613,-0.09578703703703728,3.9280711290627357,1.4291203703703705,2.778993764172336,5.895370370370371,1.4291203703703705,2.778993764172336,5.895370370370371,3.83333,0.47917,0.0,0.02083,0.46528,0.79583,0.42308,0.46528,0.74074,0.0422,0.0,-0.0422,0.05509,0.60209,0.1122,0.0,0.34783,0.13043,0.0,3.75,0.46875,3.75,0.46875,0.0,0.0,-3.75,-0.46875,0.0,0.0,7.54852,0.94357,8.40872,0.8602,0.10753,3.47593,0.43449,3.77005,0.29412,0.03676,0.14395,0.01799,0.14395,0.01799,0.0,7.01,1,1,1,1,1,1,1.0,1.0994839817876882,1.7264892117991657,2.8553885422075345,3.4906015629507228,3.0068665431825226,2.443562592058869,26.387615562904518,41.43574108317998,68.52932501298082,83.77443751081735,72.16479703638055,58.645502209412854,0.23980217539723678,0.3765547071601154,0.6227724963417733,0.7613151824909571,0.6558104984958067,0.5329514890633298,3.4854785189334687,2.8584732889219913,1.7295739585136225,1.0943609377704342,1.5780959575386344,2.141399908662288,0.24305712897675427,0.3816658705176814,0.6312256955791646,0.7716488901576413,0.6647121388834638,0.5401855033259705,9.670323248283523,14.72268505693952,19.52447638339978,18.902901406318048,15.275854309805363,15.747723070738473,29.54361367989457,23.14733817698749,18.4531333371795,18.413659376742793,24.073288474952808,18.777621844057805,8.0,5.142857142857143,7.2,8,0,7,2.12,1.1536000000000006,0.16666666666666669,2.9557379384290847,0.894427190999916,0.0,3.965406456500188,1.8072040072196898,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.403,0.395,0.41000000000000003,0.19,3.889,7.0,5.0,4.0,3.0,2.0,0.0,0.0,0.0,0.0,36.0,2.0794415416798357,2.0794415416798357,1.791759469228055,1.6094379124341003,1.3862943611198906,1.0986122886681098,0.0,0.0,0.0,0.0,3.6109179126442243,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.5714285714285714,7.0,1.0,0,3.0,6.0,1.0,1.5,0.44444444444444464,0.25,0.16000000000000003,0.1111111111111111,0.0,0.0,0.0,0.0,0.0,0.21428571428571427,0.06349206349206352,0.05,0.04000000000000001,0.037037037037037035,0.0,0.0,0.0,0.0,0.0,0.4048148148148148,20.479216967352045,32.49588583122389,40.95843393470409,5.119804241838011,20.479216971305924,0.07348346977903569,0.009185433722379462,-2.088555839218289,33.639794315006135,4.204974289375767,2.8125677766302264,20.23,138.4185777824279,4.0,3.367295829986474,3.970291913552122,4.653960350157523,5.2832037287379885,5.973809611869261,6.610696044717759,7.3031700512368,7.942717540573791,8.635687085464026,68.74083215629574,2.70805020110221,0.0,3.7612001156935624,0.0,4.948759890378168,0.0,6.19644412779452,0.0,7.475905969367397,7.807510042216193,116.120115132,4.8383381304999995,14.665959166031309,1.8332448957539136,2.373458674097885,2.373458674097885,0.0,79.0,5.0,2.449,28.0,1.225086956521739,2.1238231338299283,2.850795126886061,3.519735878452409,4.754001462377843,5.735449386644314,6.883551640343564,7.683634214025428,0.0,0.0,78.47908308260868,79.48959557561344,67.3103221167525,79.14148304787942,100.21804949627474,112.03164744155283,49.85563578615074,7.807064114039531,0.0,0.0,273.36125480220323,316.86493998143374,314.5962998979123,373.3247438420003,475.63666396741263,531.1071307651666,474.6600894645096,238.8361222095181,0.0,0.0,9.161889003130431,15.507885542275075,20.694625297262366,25.049441652502487,34.030083443631085,41.26316447533585,49.98230452409879,51.62221985609813,0.0,0.0,2.0198737642722606,2.5629727569606517,2.715614296075492,3.3008745881907715,4.235157498214029,4.785735812908807,4.830351973628664,3.4162429276950075,0.0,0.0,178.45472587403864,332.6487495163415,474.38661835200884,585.3705238562457,797.9615813100374,971.5402317094416,1193.2865408545917,1420.8395978707679,0.0,0.0,2.9139384057971007,4.50873830490087,5.622688512773389,6.092787460397481,8.72797305953858,11.886943588392548,14.359209390415169,7.683634214025428,0.0,0.0,0.4353394173913045,0.5696598954567137,0.6150874812699356,0.736602320793082,0.961660717805272,1.1128886017237398,1.1521791079367139,0.7868041435162038,0.0,0.0,402.5430986541303,275.51437531859017,15.625773650622431,171.71490568085508,-117.52760171452015,-19.952711325524533,230.8281929732752,393.0419770331103,35.57848497614697,0.7009795172472899,0.47977454948607495,0.027210371527546615,0.29902048275270976,-0.2046599278152369,-0.03474520368006118,231.16359649194206,158.2163353360538,8.97322559279664,98.60865905085811,-67.49116601485737,-11.458004186867784,0.30697653243732687,0.5738351221394116,7.796010218906959,16.930490997111768,519.3577891405699,54.90021519441545,0.904397997450654,0.09560200254934567,470.1693137782043,21.68338796817057,7.775913610258753,633.5057870689744,25.16954085931991,8.588490946317261,765.8231186396728,27.673509330037504,9.149053297256078,2.3689326373039483,2.3689326373039483,801.4265928490123,755.9110739840257,82.62849094161186,1.060212795435179,9.699155626784083,9.148310290674177,4.465912563140882,4.466158665423347,8.836778876532481,0.9786083609044471,4.897845711132662,6.073884414223801,3.578652989257381,21.69334228261754,10.902950764759435,1.4781657290209915,3.6167366079617294,10.665976180505039,8.754182327872684,1.400443951228788,3.3426207730124124,6.778333072511999,4.517670553453277,0.8638348003930532,2.474850258276829,0.24108105686345987,0.13932910995207265,1.5778104362607236E-19,3.446397419078224E-59,1.4519504420343953E-120,1.1798156019634413E-203,1.8490658661802625E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.43094730200343884,6.200672024244144,0.2708940052945705,6.212096583100871,0.35935112820775233,0.02332901818292356,0.5134636798806339,0.4634352934232195,3.252089663104281,0.07126376073347457,0.04581718736125517,1.3638030899435711,0.2472054762490298,0.859961767314267,0.1127526279465125,0.0016980199715199876,9.81306313676862E-4,1.1112647912704614E-21,2.4273258818235872E-61,1.022620568239026E-122,8.309537752587714E-206,1.3023122084905E-310,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2717013428840358,5.964453790025611,0.8026071685648262,7.09746653727464,1.1288883351966608,0.12512259389809402,1.1186989278063837,1.700907148954527,3.953669532223441,0.22594329014978637,0.3012384797939394,1.5835399508096473,0.7470176287894584,0.8603892375876558,0.4265408019391599,0.017694156127444002,0.01022596837965762,1.1580235914695827E-20,2.529460716669373E-60,1.065649476565307E-121,8.659179006924674E-205,1.357109730046205E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.846124884316976,6.200410240265869,3.5372933548858163,20.71241951806732,9.969236045224292,1.358259928797996,3.417495570698839,9.91179471924239,8.679922287172515,1.3580233944216493,2.9930857380200955,6.637943918715863,4.444892669874698,0.8647084754444926,2.270681910560425,0.21479892705608863,0.12413972854974938,1.405800692531117E-19,3.0706780530364185E-59,1.2936617036012088E-120,1.0511944604891376E-203,1.647484397030775E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8073529778791277,5.874704134442913,1.1564872700897637,8.29046270979701,2.0355492855516695,0.2432646178588832,1.5425867780430846,2.758772829069774,4.465253573557414,0.3464225216555917,0.6005494815340364,1.9936104858140797,1.1193542570331863,0.8604762980920221,0.6919379890153549,0.03843390818324413,0.022212169782285754,2.515381983459243E-20,5.494326679911311E-60,2.3147330622456956E-121,1.880889389992962E-204,2.947823679656997E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0954882125929934,6.154159076452532,4.628525692696928,28.756223310230478,15.615044943181193,2.1518021450762257,4.367494079831818,14.466503223060375,10.781833202286178,1.9219880167773677,4.8045019786406655,9.01731835216785,6.20457543236421,0.8656532187295215,3.2984224112470177,0.35159384775844577,0.20319841249619847,2.301088236179779E-19,5.026246737875419E-59,2.1175332631208977E-120,1.7206501745377132E-203,2.6966887877054743E-308,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.330461810830735,6.3846052228614,2.966663055339418,16.27546623912297,5.683450888217644,0.7779636546467069,2.2507984609201697,5.832970960260865,8.181543839904442,1.0689485032324746,1.376326939771135,7.5233842761284855,3.7393373052716177,1.3203177084669204,1.4171250756847642,0.09196983289229363,0.0531523680699516,6.019155730025771E-20,1.3147588770012948E-59,5.539015094612183E-121,4.5008536372480765E-204,7.053962344165193E-309,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.295985329039463,0.8404888368137904,0.5687458912975932,0.8381161281553384,0.09654998165421173,0.5531361894006005,0.48899114913619607,0.4664085897833898,8.705220057150848,10.759780474092908,22.952660799994796,0.7571741922330077,1.5085359283201865,6.427731574936388,0.5738247629774842,0.15974455475732044,0.897564796015549,0.08012856484842454,0.4346368087820158,0.20574916411239988,0.032791782870054124,7.161300892671193,4.8068520472791105,12.557353405471686,0.8463471940233234,0.6731777557644698,6.7808327850542565,0.6123989509733528,0.3278132358563188,0.8782273396601833,0.07931555290810954,0.4782563755043776,0.2604468410832704,0.15458335605035312,7.721044971883928,6.576174103115784,15.658488084955462,0.8173410094902749,0.893286572638001,7.257149291146146,0.8549009641690182,0.553438612569708,0.8374771927804134,0.09865582625549986,0.5476236137830915,0.4961471326433454,0.42647519110944787,8.665488867884873,10.693665764516718,22.792767439055865,0.7562157891706203,1.4702459375358847,6.952382414372832,0.6466890229764877,0.4027177620618993,0.868853482779126,0.08081805292047331,0.502177431295867,0.3016807997165612,0.2460714443146122,8.001789199411219,7.556310433907501,17.36873052779039,0.8032802241686889,1.0499296753270404,7.354471899899177,0.8760942818844504,0.5970775914610181,0.8331183369892602,0.09924440817829212,0.5620784058180107,0.5273816153505297,0.5083170417726777,8.827643773244645,11.357497409961416,24.032237955679538,0.7496775054838903,1.5977770629412182,7.285614644602791,0.8564735073972037,0.5547493868431848,0.8377314871138659,0.09848102871554026,0.5519186779146086,0.49774598802553177,0.42823677688180106,8.69683753884318,10.756754338152541,22.91519250710953,0.756597230670799,1.4779014428219415 +UMLCN0475,L,4-nonanol,CCCCCC(CCC)O,Alcohols,,C9H20O,NREL (2014),IQT,PubChem,,28,0,-2.1361000000000008,4.562923210000004,35.2295,29.977859999999968,0,0,30,10,20,0,9,0,1,0,0,0.0,0.0,0.0,0.0,0.0,1574.6663699999979,1592.4386209999993,1822.0304889999977,1711.1634239999962,1517.4548869999965,1155.7521849999969,902.5716480000002,537.8207540000002,284.6402170000006,4649.717781326926,5952.8740577357785,7811.404220420687,7942.4769944857335,7028.9298828234005,5885.068538357514,4641.827662879195,3404.7150851205183,2161.474209642191,215.58564000000013,215.06418800000003,397.825972,538.4338079999998,495.70429999999965,432.65585199999975,361.11367199999995,277.90983200000016,206.3676520000001,34.63556209697999,45.34264987600001,64.81806507418806,69.62970710401702,61.9420169591681,52.78484749092308,42.82392198292307,32.33291380013098,22.371988292130983,5024.953531097481,4262.210860376251,8651.487324972839,12504.14884834182,11579.94664937597,10101.037338307175,8653.077413564224,6619.415146422682,5171.455221679732,79.27777777777777,64.33333333333334,103.41666666666669,135.75,129.16666666666669,112.83333333333334,87.25,68.0,40.0,52.488878999999926,54.91167658620687,33.12782707272723,22.81551231999995,21.99209981159415,19.262536416666613,17.69748329411765,13.79027574358975,9.488007233333352,154.99059271089754,205.27151923226822,142.02553128037613,105.89969325980978,101.8685490264261,98.0844756392919,91.01622868390578,87.300386797962,72.04914032140637,7.186188000000004,7.416006482758622,7.23319949090909,7.179117439999997,7.184120289855067,7.210930866666662,7.080660235294117,7.125893128205132,6.878921733333337,1.1545187365659997,1.563539650896552,1.1785102740761464,0.9283960947202269,0.8977103907125812,0.8797474581820512,0.8396847447631974,0.8290490717982303,0.7457329430710328,167.49845103658268,146.97278828883623,157.2997695449607,166.7219846445576,167.82531375907203,168.35062230511957,169.66818457969066,169.7285934980175,172.38184072265773,2.6425925925925924,2.2183908045977017,1.8803030303030306,1.81,1.8719806763285027,1.8805555555555558,1.7107843137254901,1.7435897435897436,1.3333333333333333,0.2383531311875725,-0.11139990318001969,-0.01006915619235231,-0.0029932362468527707,0.014352160023924601,-0.02610844249514864,0.02676594892673196,-0.027536164138745056,0.014782134914939689,880.987351200001,-67.03135856000085,-248.20164320000083,-42.21081980000025,0.9638198399998252,-164.1411946,48.442149560000146,-159.99654595999993,52.586798200000274,1416.7305897668537,-75.80236296190387,-544.6765251295973,-79.06148317864654,-10.119630791216402,-147.52711704760304,55.93681246302735,-150.75701292640974,52.70691658422042,1.141531199999998,-0.07933455999999713,-0.01640239999999826,-0.10409279999999932,-0.09236175999999918,-0.26415439999999907,1.4495999999881645E-4,-0.19162336000000033,0.07267599999999705,6.276760197659992,-0.2216912246439812,-2.691514696819983,-0.4233742282829989,-0.15097453840000208,-0.29414938724900247,0.12866965308299494,-0.29443912564900404,0.12837991468299403,34.46942793907662,-1.0286409790804147,-15.060003093017453,-2.4708524867746338,-1.0531252682582664,-1.0628711490822553,0.4788635451247626,-1.0041994048405907,0.5375352893664267,25.05185185185183,-3.3519753086419763,-0.6283950617283951,-2.95185185185185,-0.21370370370370217,-5.925925925925933,1.967407407407406,-4.017407407407406,1.4592592592592608,0.007945104372919084,-0.0038413759717248167,-1.8307556713367836E-4,-3.990981662470361E-5,2.0800231918731305E-4,-4.351407082524773E-4,5.248225279751365E-4,-7.060554907370527E-4,4.927378304979896E-4,29.36624504000003,-2.3114261572414088,-4.512757149090924,-0.56281093066667,0.013968403478258336,-2.7356865766666667,0.9498460698039244,-4.102475537435896,1.7528932733333424,47.224352992228454,-2.613874584893237,-9.90320954781086,-1.0541531090486205,-0.14666131581473046,-2.4587852841267175,1.0968002443730853,-3.865564434010506,1.756897219474014,0.03805103999999993,-0.0027356744827585215,-2.982254545454229E-4,-0.001387903999999991,-0.0013385762318840462,-0.0044025733333333174,2.842352941153264E-6,-0.004913419487179495,0.002422533333333235,0.20922533992199974,-0.00764452498772349,-0.048936630851272415,-0.005644989710439986,-0.002188036788405827,-0.004902489787483375,0.0025229343741763714,-0.007549721170487283,0.004279330489433134,1.1489809313025539,-0.03547037858897982,-0.2738182380548628,-0.032944699823661786,-0.015262685047221251,-0.01771451915137092,0.00938948127695613,-0.025748702688220274,0.01791784297888089,0.835061728395061,-0.11558535547041297,-0.011425364758698093,-0.039358024691358,-0.0030971551261406113,-0.09876543209876555,0.038576615831517766,-0.10301044634377964,0.048641975308642026,-0.4834896801127195,-0.023042562884094016,-0.005023196014987085,0.026179935394717996,-0.05476840678590151,0.06605608980594338,-0.0888667357402686,0.06201779201006953,-0.07871030681971747,-0.1536715757477354,-0.019165233072871934,4.756618852438181E-4,-0.09315752057984815,0.032344825445341424,-0.13970037816710568,0.05969075279953942,-0.05535014074885035,-0.20970556334441673,-0.022322235081168793,-0.0031056289080099416,-0.052066044918208855,0.02322531013931693,-0.08185531805267186,0.03720320360478291,-0.07189486759779828,-0.007837511262383983,-0.03647479806070986,-0.035178440113175585,-0.11570178721352492,7.469842982355459E-5,-0.12912707477061083,0.06366536455595535,-0.036537280764239205,-0.2338943785179952,-0.026980430346269083,-0.010457800136549131,-0.023431625391604323,0.012058455133192442,-0.03608416252688062,0.020453213224691093,-0.030871163848444783,-0.23831399686019678,-0.028672973524733514,-0.013283671322481004,-0.015417591944966986,0.008172007925589897,-0.02241003482888963,0.015594552085880264,-0.13841534289035273,-0.013682060104295481,-0.047131874630396225,-0.0037088936312446737,-0.11827321111768209,0.04619612481302398,-0.12335668471091303,0.058249556475458424,1.4441494061466058,0.7715448047742434,1.0183816244440917,1.179666001841648,1.4133603248145548,0.9578892012596577,1.172735814483527,0.35548997701130736,1.4420686020855091,1.272330549933057,1.0012898777549057,0.9728454051647547,1.0764258776340982,0.8534544376911051,1.0509075903570304,0.6642006562708217,1.5512182844781197,1.4108342758783106,0.9766088979444856,0.9279580008036127,0.9603028399002039,0.8536325027589917,0.951905794340296,0.7680471075322635,1.0524951048206146,0.8220425974579354,1.163827065494722,1.247565867948982,1.483865180382282,0.8734755632111842,1.2178748630314755,0.10041541863536749,1.5847161368691844,1.4590282941721044,0.9786453297701998,0.9289652272911458,0.9237581801048415,0.8563539049733221,0.8974599814574582,0.7749832541396597,1.5873589601036386,1.4648732507085465,0.9822578191023995,0.9343541027363834,0.9205493342615184,0.857526386749846,0.8845223766954565,0.7665752786557939,1.1265523358959206,0.8062268157625943,1.1666026020106457,1.214919779908982,1.4968398876404507,0.8265862524785201,1.2318041213665116,0.10611324659964529,61.45467292132645,30.85233646066322,47.91438374271842,61.65467292132645,6.165467292132645,30.852336460663377,0.2499999999999929,0.07740095087441687,0.0077400950874416865,-2.5587562132627335,129.08085898065394,12.908085898065394,4.860439021799471,61.45777987107294,30.85352272508584,47.91561867288823,61.657192334351926,6.165719233435192,30.853522725085995,0.24926557909873992,0.07738016176735363,0.007738016176735363,-2.559024839154271,129.18889823258934,12.918889823258933,4.861275660664224,64.30285066815699,31.951928095049475,49.06447547853226,63.98365508571055,6.398365508571056,31.951928095049524,-0.398994478058043,0.057675219177168835,0.005767521917716884,-2.8529276747185506,128.1019044967411,12.81019044967411,4.8528260760579105,61.4610409385652,30.854767869392056,47.91691491031884,61.659836778740335,6.165983677874035,30.85476786939221,0.24849480021891424,0.07735834035668196,0.007735834035668196,-2.5593068815744413,129.30267271192335,12.930267271192335,4.862155956190034,67.49080762093331,33.204256678297064,50.391654615063764,66.62497220946197,6.662497220946197,33.20425667829708,-1.0822942643391897,0.03269894373741575,0.0032698943737415748,-3.4204125032087185,79.31383259349742,7.931383259349742,4.373412547142724,61.78138194772462,30.977258066801465,48.04449164432625,61.91988929642726,6.191988929642726,30.9772580668016,0.1731341858783111,0.0752090373896494,0.00752090373896494,-2.587483877193298,142.79552963319546,14.279552963319546,4.961413744325802,67.45162285338657,34.014391673606866,53.837143486475355,67.9133512484483,6.79133512484483,34.01439167360687,0.5771604938271722,0.06527166148392938,0.006527166148392938,-2.7291973111062267,62.28290675692529,6.228290675692529,4.131687018274319,0,11.889999999999997,15.994916891482758,-0.3924963716205695,0.05518562967739911,5.013998227083298,7.719546851745037,9.0,29.0,29.0,29.0,9.0,0.0,0.0,0.0,0.0,0.0,21.864139999999995,3.540574055195335,3.306175775804599,2.998655028229004,2.652922250290326,2.155962204815631,2.042773358719601,1.5781254665309172,1.3873593252724508,1.9124182563616903,1.7842888877912446,1.568831849529778,1.3052212727625205,1.0600507831666557,0.8282921169759839,0.6746801617162397,0.5819983885097109,3.5441440928038306,3.3323312045494635,3.0240658776278697,2.6574583969449463,2.2225668009755877,1.9470642576739854,1.6027450343431147,1.4555555426050788,1.8650409537235113,1.7185765408754785,1.4952433238204186,1.229972427715693,0.9448097594409941,0.7676117871664772,0.5628994397905432,0.48191082142806263,3.6776525306960126,3.483671273998735,3.214792823755574,2.9051003773292714,2.515558589142043,2.3650484146933475,2.040565123503298,1.914564757639043,1.6827486355593297,1.5065711257123877,1.2371900027062586,0.9129233063188378,0.5694441218991256,0.3022858650616322,0.059234633520448984,0.05302802193095386,3.5584318281039105,3.3550483687020045,3.050814219244261,2.6842579544040097,2.2725589594213758,1.964195969911706,1.6508454679900735,1.5054155733638759,1.836122181460994,1.6765277346397478,1.4483346204956598,1.1831526656038165,0.8690733740128799,0.7380199262695275,0.48655615974092853,0.39265999190398443,3.7288336480323294,3.5522999167617066,3.296303383922723,2.9961405468292877,2.648546765161303,2.4639988262976,2.1974735684021116,2.0926847789419165,1.6324189842024246,1.441763545272226,1.1588210332812987,0.8214212647913571,0.4423245741766155,0.18458939913618294,0.09833171830017318,0.21809718206516193,4.424076607282671,3.4891305427457633,3.372868119548048,3.0791791291832284,2.6631257749836013,2.3875358342246087,1.922960054215029,1.7201106403105801,1.7769148364350549,1.589396851911476,1.3095468377311166,0.9852718910427616,0.7146847269672802,0.4261193412579799,0.2565344233729235,0.12405791742872997,0,0,0,0,0,2,7,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.12909944487358055,0.0,0.0,0.0,0.4082482904638631,0.49279927982674443,0.348461712529338,0.18257418583505536,0.22038653779110823,0.15583681535431795,7.819990956308912,4.8080604124904465,3.3896287658987125,2.081951230073507,1.3799361269508954,0.6371368471241509,0.4206304961780412,0.14433756729740646,0.7819990956308912,0.5342289347211607,0.3766254184331903,0.2602439037591884,0.1971337324215565,0.12742736942483018,0.1051576240445103,0.07216878364870323,7.26720455180887,4.488909033047982,2.9382805566410974,1.7627998506310423,1.107523384915259,0.5573490022635347,0.340842651317425,0.14433756729740646,0.726720455180887,0.49876767033866465,0.3264756174045664,0.22034998132888028,0.15821762641646558,0.11146980045270694,0.08521066282935626,0.07216878364870323,15.133077142275601,29.20903131828113,27.60392156862746,27.999999999999993,17.465784431137724,231.694377245509,0.5044359047425201,0.9736343772760377,0.9201307189542487,0.9333333333333331,0.5821928143712575,7.723145908183634,2.727700000000002,45.05680000000002,31.2641207165385,48.34375653423614,62.528241433077,6.2528241433077,31.2641207165386,0.07014467877058814,0.0070144678770588135,-2.657195330327367,225.91372370116378,22.591372370116378,5.420153172851181,107,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,6.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4745918367346938,0.0,9.275799319727891,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4745918367346938,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.5254081632653067,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.300835695389267,0.0,6.787670540438398,0.0,0.0,0.0,-0.0309722222222224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.275799319727891,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4745918367346938,0.0,9.275799319727891,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4745918367346938,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.22040816326530613,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.114127692743764,0.0,0.9759070294784581,0.0,0.0,0.0,-0.0309722222222224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.275799319727891,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4745918367346938,0.0,9.275799319727891,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4745918367346938,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.186708002645503,0.0,1.264657029478458,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.275799319727891,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.333333333333336,2.0333333333333337,0.4745918367346938,9.275799319727891,0.22040816326530613,-0.0309722222222224,5.116455026455027,1.3643055555555557,3.2757993197278914,7.1532700302343155,1.3643055555555557,3.2757993197278914,7.1532700302343155,4.83333,0.48333,0.0,0.01667,0.45889,0.77667,0.425,0.45889,0.73333,0.03389,0.0,-0.03389,0.04333,0.62232,0.09197,0.0,0.27586,0.10345,0.0,4.75,0.475,4.75,0.475,0.0,0.0,-4.75,-0.475,0.0,0.0,10.46942,1.04694,11.45959,0.99016,0.09902,4.52648,0.45265,4.80805,0.28157,0.02816,0.10595,0.01059,0.10595,0.01059,0.0,9.01,1,1,1,1,1,1,1.0,1.07462769858425,1.6328773369500167,2.689246428509158,3.4314018453921724,3.548394345536402,3.2111984154992905,32.2388309575275,48.9863201085005,80.67739285527475,102.94205536176517,106.45183036609207,96.33595246497872,0.2190038024377395,0.332772313776749,0.5480551025359994,0.6993027006681476,0.7231451927442769,0.6544263323036368,3.8322628970242687,3.274013258658502,2.2176441670993605,1.4754887502163463,1.3584962500721165,1.6956921801092282,0.22120870782781435,0.33612262760759043,0.5535728590141463,0.706343200772868,0.7304257363491846,0.661015022232495,9.26227924388505,13.862524595659993,18.411596834293555,20.348587786631406,19.73368409229969,16.882228125531544,37.246846793936896,30.226362479531446,24.25062679292931,20.940708150902115,21.338752723344243,26.794844672516373,10.0,7.111111111111111,7.0,10,0,9,2.3400000000000003,1.4354000000000005,0.12499999999999997,3.6317596142165165,0.5163977794943223,0.0,6.238979991801659,3.1473451902649443,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.348,0.403,0.395,0.41000000000000003,0.19,4.887,9.0,8.0,7.0,5.0,4.0,2.0,1.0,0.0,0.0,55.0,2.302585092994046,2.302585092994046,2.1972245773362196,2.0794415416798357,1.791759469228055,1.6094379124341003,1.0986122886681098,0.6931471805599453,0.0,0.0,4.02535169073515,1.0,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.0,0.6666666666666666,9.0,1.0,0,4.0,8.0,1.0,1.5,0.666666666666667,0.375,0.16000000000000003,0.1111111111111111,0.04081632653061225,0.03125,0.0,0.0,0.0,0.16666666666666666,0.07407407407407411,0.046875,0.02285714285714286,0.02222222222222222,0.010204081632653062,0.015625,0.0,0.0,0.0,0.3585241874527589,31.2641207165385,48.34375653423614,62.528241433077,6.2528241433077,31.2641207165386,0.07014467877058814,0.0070144678770588135,-2.657195330327367,225.91372370116378,22.591372370116378,5.420153172851181,20.23,173.01054703416122,4.321928094887363,3.6109179126442243,4.2626798770413155,4.962844630259907,5.638354669333745,6.35088571671474,7.034387929915503,7.751475318021456,8.437933510430605,9.156834104453042,76.20631366881454,2.9444389791664403,0.0,4.007333185232471,0.0,5.231108616854587,0.0,6.532334292222349,0.0,7.874358824729881,8.183955717304954,144.15141526,4.805047175333333,18.65329824543886,1.865329824543886,2.4770120646911584,2.4770120646911584,0.0,150.0,8.0,3.376,36.0,1.2301724137931034,2.1319205990317696,2.8569658649960314,3.5556278510689023,4.7928011778654405,5.806483021170073,7.07833786883788,8.124426021152996,9.59831800043608,10.610256765774116,79.25338549110343,79.07354578901963,76.07065054592897,98.40434524302916,108.8787887643303,121.53408593329704,111.70366440101017,89.1036913003627,47.76925588163212,10.78069993045951,278.90168135381657,324.22299554330203,330.5081054951485,422.69038008937946,520.081191016829,587.693728686644,665.9101572756422,634.1871591079505,585.0889713751963,329.8065096538712,9.151019188689652,15.492009937852627,20.582277122125102,25.6648799248484,34.683599289248725,41.26173354594541,50.55343498302164,56.05642877051174,65.85418381091253,71.28462811160982,2.0658477671166198,2.6360933862784477,2.8114576233700244,3.580793558393027,4.532502587350529,5.261070908898195,6.187015562806284,6.400860367616788,6.560435092308874,4.717457081824585,178.3577891783055,331.98494643221176,472.9563501314228,583.7592567568247,797.156820381765,972.08950133219,1190.7681830802612,1387.4782534317071,1665.9142127011592,1962.0237685013515,2.78203448275862,4.15121849828189,5.3002708493300705,6.906348379133184,9.237658019088254,10.26125819400098,12.560696330091794,11.214793438775354,13.0260222864278,10.610256765774116,0.441195227586207,0.5785968188973869,0.6309973889562,0.8053011480985732,1.0248877285073845,1.1779185646796964,1.3850310802622374,1.3982309941310038,1.4545198729971154,1.0864902928152693,462.03962752536495,365.47630694258214,16.67692868993405,168.1600790560861,-133.01570040162207,-17.876699094735898,293.87954846927886,498.49200734420424,34.55362778466995,0.7331638252129967,0.5799372851585826,0.026462926776654433,0.26683617478700294,-0.21106912461634134,-0.028366720752234106,291.177237695488,230.32306139768767,10.509795567076225,105.9744324798591,-83.82645536382846,-11.265890524147457,0.26563423715840084,0.4961688471900306,6.428752517459119,11.50208491196065,582.816389946757,47.38331663469411,0.9248122204122764,0.0751877795877234,594.3324520705042,24.378934596706728,8.407685954998477,796.4170696884247,28.220862312984426,9.26929818494473,1019.643879849794,31.931863081408107,10.065055460444082,2.832655495750675,2.832655495750675,1467.9431064875257,1414.2875442259217,100.84900986400379,1.0379382272584259,14.555850458691326,14.023811895953237,5.08780205390432,5.6454556919422,11.281711498940464,0.9983703910816152,6.013447924876899,7.970919029643725,4.170945737722315,30.45937151158475,14.090501745783646,0.6879674358268837,5.41602309827518,11.152206469954535,19.249357089754,1.4900527702484692,3.436998676840035,15.876741083802004,4.755165018104016,10.995337295861663,2.706547914765403,0.7507018012425246,1.1811808021789933,4.552075903404732,0.7641552493409282,2.3401866838351744,0.34640345823415597,0.017048723176411977,7.836303603535253E-23,6.948258438477839E-65,1.1882739552933633E-128,3.919521923166262E-214,2.49E-321,0.0,0.0,0.0,0.5245720652607243,8.09762242895739,0.31512511199400256,8.322302150581297,0.5031713471835835,0.030473289446890473,0.75021207672894,0.6216505647075733,5.596664234807607,0.07189493766667375,0.04728833065240352,1.9885292172945115,0.24887817034335116,3.14656621445854,0.1143844940416248,0.060424052502450414,0.09064242715261309,0.08596793151861945,0.7640296572093278,0.17256760895428372,0.0024397560529623627,1.2007555132518267E-4,5.519172701729797E-25,4.89371523085324E-67,8.369110626690027E-131,2.7605513385687943E-216,2.0E-323,0.0,0.0,0.0,1.5739334915718115,7.861409979355867,0.9489990042957142,9.677899675660964,1.3951607691179155,0.0832755136115854,1.624238427364569,1.9120189044699256,7.371836647619998,0.23252021099297226,0.30891782905024767,3.6666480450970713,0.7644483798918063,4.502874211044728,0.4435461004621732,0.19013017587432218,0.2922592544998701,0.4725948640487577,0.7640501138294967,0.5727702545184815,0.025424074963971706,0.0012512798235450972,5.75140348565447E-24,5.099628577976618E-66,8.721258534832019E-130,2.8767073344156376E-215,1.8E-322,0.0,0.0,0.0,5.899162370852108,8.097435665802802,4.092598519552593,29.06097071388192,12.721419389186293,0.6953214085921248,5.104099460782606,10.87363057455503,18.811706815711634,1.4378632765583117,3.077263290529741,15.121630324747931,4.656495962264479,10.429126783843872,2.477120351495456,0.7044833261711603,1.1069949187396735,4.092936039714244,0.7641457283764376,2.192538312602564,0.3086392504247493,0.015190105412771425,6.98200542952523E-23,6.190773175417914E-65,1.0587307010257747E-128,3.492223468261761E-214,2.223E-321,0.0,0.0,0.0,2.2527875568682365,7.771667680988326,1.3758925568978266,11.380324859829498,2.5711913988584523,0.12432223645453076,2.24757238556173,2.8838330278767526,8.708320450082017,0.3607083379927144,0.6162781032442508,5.158399884195635,1.1572161762690756,5.506604116301742,0.7288757684013564,0.2824931771666952,0.4368938571229641,0.8938857729726439,0.7640656945323977,0.860043095680158,0.05522446804366455,0.0027179469810430634,1.249281691149376E-23,1.1077074717534544E-65,1.8943738930022338E-129,6.248592735050703E-215,3.95E-322,0.0,0.0,0.0,7.442739450505718,8.051232298817034,5.361665449925126,40.629705588227004,20.23167211274528,0.9960008368816585,6.605866769813547,15.178013643843917,24.223144250885785,2.0526738793573847,4.941770985520837,20.50072922561144,6.550938788417085,13.195396648624493,3.6363316661144345,0.9263244822614733,1.4642870243467894,6.462944278133645,0.7641925816308007,2.9038347999072074,0.5051968616351228,0.024863960486977373,1.142851233761804E-22,1.0133381924263194E-64,1.7329858879400545E-128,5.716254362102766E-214,3.636E-321,0.0,0.0,0.0,5.135293894490769,8.312462763041536,3.4205132734085177,22.48777341872694,6.557096193156245,0.7132194398859737,3.2858260729017545,8.962537856512187,16.452310964252167,1.1400866589518583,1.4600422300508313,12.76851468046967,3.9548166121203017,8.076641316060549,1.311525226126432,0.4301908182656681,0.8721526127670315,1.945999022182356,1.2050047439642817,1.723119122768405,0.13657555356956722,0.006721751863496123,3.089597256342455E-23,2.739470201000727E-65,4.684974112541167E-129,1.5453388220596025E-214,9.8E-322,0.0,0.0,0.0,11.56002624088663,0.8369497566641826,0.5738831004856068,0.8912305772126253,0.06452539113549413,0.541250317623049,0.5262018240517531,0.49608782059087037,12.970859098036419,16.78957617146174,35.312846747580224,0.8368458658189379,1.5635399622656723,9.662162227269704,0.554519531600016,0.16365886212928765,0.9308136004442419,0.05342016720320772,0.3785117919710575,0.20380820421180373,0.033618412268466395,10.380340620999007,7.029908183902631,18.287109695035127,0.8962204006663628,0.6159384084513276,10.723352535545668,0.5963876395400536,0.3282845961555042,0.920615533203659,0.051200753024884055,0.46577813722541833,0.2630669573672251,0.15920859237160234,11.648024771241225,10.111371238593183,23.858866249860846,0.8809232998054884,0.8880536869642458,11.405578889187137,0.8470012639948354,0.5613361788281405,0.8900931295060165,0.0661001088230117,0.5269058667422283,0.5215766301139746,0.45498190482016004,12.813916332010113,16.538356259706994,34.77508305239162,0.8351396942590247,1.5034644016763627,11.126237318968514,0.6399437535353076,0.4010848489341077,0.9144402194222458,0.052595526198516665,0.5013903882860653,0.32045508995217875,0.25289727650538324,12.167265921437929,11.839403030621881,26.8624596856845,0.8716603291333689,1.0747427547436272,11.62755728344688,0.8730760991205571,0.6039418727346788,0.8872899011925142,0.06662376171004171,0.5475938740559556,0.5676231333736615,0.5436246736654227,13.104575255302114,17.701398290770044,36.9370358356717,0.8309348517887714,1.65884168109504,11.450804990029479,0.8491880517963304,0.562925009024867,0.8902182960943447,0.06601830536735559,0.5310927083258697,0.5238182623418026,0.45701235848122435,12.862918050850677,16.647860475058426,34.98459757985065,0.8353274441415169,1.511923329148897 +UMLCN0476,L,ethyl octanoate,CCCCCCCC(=O)OCC,Esters,,C10H20O2,NREL (2014),IQT,PubChem,,42.2,0,-1.092300000000001,1.193119290000002,41.2881,32.53985999999997,0,0,32,12,20,0,10,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1974.8984919999978,1972.7466949999991,2275.198446999999,2034.421005999996,1875.976340999997,1531.4610469999973,1292.4197259999974,1095.6629969999979,898.906268,5289.625460040612,6591.056047632473,8328.885258146749,8309.997463903768,7608.366103590186,6734.660097649465,5668.323327403522,4661.524982448398,3654.7266374932806,236.47787200000016,232.77842000000004,430.28357199999994,542.1150879999997,465.0363959999997,442.69789999999983,391.71027999999984,328.82538,265.9404800000002,38.06766609698002,48.60010620000001,66.66644565503702,69.349916607168,62.69366388267807,56.87310324867806,48.914947860376074,39.893419000980046,30.871890141583982,5337.199172989981,4536.835788223001,9207.261320197838,12389.30897234652,10381.27636703078,9980.07786379613,9055.075790814577,7576.120635775981,6097.165480737385,107.77777777777777,75.5,134.58333333333334,146.75,142.83333333333334,131.08333333333331,103.83333333333333,91.66666666666666,82.75,61.71557787499993,63.63699016129029,39.227559431034464,27.4921757567567,29.777402238095192,25.524350783333286,23.933698629629582,24.348066599999953,24.969618555555556,165.30079562626912,212.61471121395073,143.6014699680474,112.2972630257266,120.76771593000295,112.24433496082442,104.96895050747263,103.58944405440884,101.52018437481335,7.389933500000005,7.508981290322582,7.418682275862068,7.325879567567563,7.38153009523809,7.378298333333331,7.253894074074071,7.307230666666666,7.387235555555561,1.1896145655306256,1.567745361290323,1.1494214768109832,0.937161035232,0.9951375219472709,0.9478850541446344,0.9058323677847421,0.8865204222440011,0.8575525039328884,166.7874741559369,146.34954155558069,158.74588483099723,167.42309422089892,164.7821645560441,166.33463106326883,167.68658871878847,168.35823635057736,169.3657077982607,3.3680555555555554,2.435483870967742,2.320402298850575,1.9831081081081081,2.2671957671957674,2.184722222222222,1.9228395061728394,2.0370370370370368,2.298611111111111,0.282060404823303,-0.16224936310887128,0.05343854713829331,-0.025912308916995995,0.003710106237009193,-0.015825402033410887,0.0010886212387794707,0.003570746151253844,0.030358173758151884,1047.5152474999995,-17.494444640626128,-140.73239784375056,81.0620414062502,-136.85344014062537,-239.5858856875002,10.11191359375016,5.604253828125124,1.0965940625001593,1532.8858307768633,-152.14829421327772,-528.2491709554312,239.23333671810082,-163.24365216283024,-213.835559007926,12.70194640432723,12.101263757163991,11.500581110000752,2.07332,0.034305750000001634,0.8296845000000009,-0.3297615000000002,-0.3584582499999988,-0.4968879999999993,-0.12867050000000108,-0.16458075000000014,-0.2004909999999991,6.783892946367493,-1.0554363209566229,-2.6489076338153277,1.121572461019404,-0.658524868381136,-0.4966246049704367,-0.05646833817040921,-0.057863295308675525,-0.0592582524469414,37.64305050992998,-6.380821146064414,-14.479189542535105,6.01557005416871,-3.6130779331010747,-2.102688558184454,-0.571771567844546,-0.594214678849608,-0.6166577898546682,39.72222222222219,-0.029513888888886897,11.961805555555562,-3.5798611111111067,-5.369791666666661,-11.10416666666666,-2.9895833333333326,-3.6718749999999973,-0.3750000000000023,0.00881438765072822,-0.005233850422866815,9.213542610050571E-4,-3.5016633671616207E-4,5.889057519062211E-5,-2.6375670055684813E-4,2.01596525699902E-5,7.934991447230765E-5,8.432826043931079E-4,32.734851484374985,-0.5643369238911654,-2.426420652478458,1.0954329919763541,-2.172276827628974,-3.99309809479167,0.18725765914352147,0.12453897395833609,0.030460946180559983,47.90268221177698,-4.908009490750894,-9.107744326817778,3.232882928622984,-2.5911690819496864,-3.5639259834654333,0.23522122970976353,0.26891697238142204,0.3194605863889098,0.06479125,0.0011066370967742463,0.014304905172413809,-0.00445623648648649,-0.0056898134920634735,-0.008281466666666655,-0.002382787037037057,-0.0036573500000000032,-0.005569194444444419,0.21199665457398414,-0.03404633293408461,-0.04567082127267806,0.015156384608370325,-0.01045277568858946,-0.008277076749507279,-0.001045709966118689,-0.0012858510068594561,-0.0016460625679705944,1.1763453284353118,-0.20583294019562626,-0.24964119900922593,0.08129148721849608,-0.057350443382556744,-0.03504480930307423,-0.010588362367491591,-0.0132047706411024,-0.017129383051518562,1.2413194444444435,-9.520609318995773E-4,0.20623802681992348,-0.04837650150150144,-0.08523478835978826,-0.18506944444444434,-0.05536265432098764,-0.08159722222222217,-0.01041666666666673,-0.5937849151023451,0.1045284479777716,-0.03972667763111511,0.006681187340989789,-0.02992342871771215,0.0022871302430549066,0.009002317303999217,0.09567115014772902,-0.017239635993477317,-0.0741234660446417,0.033463814323374176,-0.06635975815151769,-0.12198308266948019,0.005720437107616125,0.0038044765230653664,9.305356462392877E-4,-0.10245792644872502,-0.19013015360084826,0.0674885576204368,-0.0540923589725972,-0.07439929913964681,0.00491039789107955,0.0056138186833159884,0.006668949871670646,0.017080039307379412,0.22078452217566122,-0.06877836878415666,-0.0878176218557826,-0.1278176708531886,-0.03677637083768344,-0.056448208670152274,-0.08595596541885547,-0.16059844435989845,-0.21543180181053057,0.0714935084179875,-0.04930632377003654,-0.039043430973665125,-0.004932672018905608,-0.0060654306524007455,-0.007764568602643394,-0.1749766290732077,-0.21221761414335732,0.06910512181539756,-0.048753067654750744,-0.029791259807771125,-0.00900106636337431,-0.01122525020664333,-0.014561525971546816,-7.669749605232963E-4,0.16614420062695945,-0.03897183897183895,-0.06866466866466864,-0.1490909090909091,-0.044599844599844625,-0.06573426573426575,-0.008391608391608449,1.6194290387307693,0.9307129198887693,1.1364672628403842,1.1178775597384492,1.0200477635655893,0.8689621108478398,1.0069143515333476,1.1430216635829478,1.1785186983638645,1.115199233626563,0.9293012504348795,1.0672124362577249,1.1123592674403224,0.9185185185185195,0.9429862996497027,0.9796879713464777,1.5023605150477273,1.303063118747266,0.8629965519498354,1.036418484178105,1.0206167190427546,0.918518518518517,0.8998747667382364,0.8719091390678158,0.7108675940038196,0.7073768408755704,1.1073674237585256,1.1696952881950853,1.260070884700223,0.9185185185185186,1.0864622923620089,1.3383779531272444,1.6501408464124057,1.359171197563814,0.8505980805483572,1.0349522444480244,0.9820552455110697,0.9185185185185196,0.8978220311161231,0.8667773000125276,1.6738177067137263,1.3603708117345952,0.8533082113102893,1.0380272932220536,0.9767459235697433,0.9185185185185185,0.9021270993997651,0.8775399707216348,0.5769230769230773,0.490752351097179,0.9315819315819321,1.3951548451548461,1.53916083916084,0.9225330225330232,1.0969230769230778,1.2690850815850825,85.16383191784051,42.83191595892026,68.1891718768443,85.5804985845072,7.1317082153756,42.83191595892026,0.5000000000000142,0.1761019126619161,0.014675159388493009,-2.084030882775432,80.33249812580887,6.694374843817406,5.263409097593202,85.17848900204467,42.838510080121026,68.19767144623854,85.59393163387584,7.132827636156319,42.838510080121026,0.49853115819738036,0.17589802077266364,0.014658168397721971,-2.0854210551659738,80.41649665966743,6.7013747216389525,5.264663204966493,98.33500850692971,48.7685097754068,76.19540162358336,97.67001771016629,8.139168142513856,48.7685097754068,-0.7979889561161144,0.003608436035144269,3.0070300292868907E-4,-6.74937699812532,70.35510274756231,5.862925228963526,5.104266377586093,85.19387239950848,42.845430999973175,68.20659315144871,85.60803039987337,7.134002533322782,42.845430999973175,0.4969896004378711,0.17568403136372523,0.014640335946977103,-2.086881808471638,80.5051601822915,6.708763348524292,5.265985540816162,112.55546130668371,55.19543638900271,85.6761265397912,110.75163753278514,9.229303127732095,55.19543638900271,-2.164588528678294,0.17979347817224545,0.01498278984768712,-2.0591357163382535,91.73397484274751,7.644497903562293,5.422671372678219,86.70135612995333,43.52381225085496,69.0856128479483,86.98991310641716,7.249159425534764,43.52381225085496,0.34626837175658665,0.1547454626464112,0.012895455220534266,-2.2391684260649294,92.86097282814033,7.738414402345028,5.437324150590354,87.65110112337562,44.02830365812516,71.89551231560166,88.35495094217333,7.362912578514445,44.02830365812516,1.176031746031768,0.2866974227485283,0.02389145189571069,-1.4991934746000637,60.63516669984717,5.052930558320598,4.925850040007634,0,11.889999999999999,15.995919664602537,-0.3159427629040978,0.2614833527684794,4.183482022854652,7.387468435557162,11.0,31.0,30.0,30.0,10.0,1.0,1.0,0.0,0.0,1.0,24.73813999999999,3.5696311380166064,3.392580924877413,3.118272459269856,2.9137627671467845,2.5372943868866495,2.074718320888258,1.8932093543953494,1.6166401631468976,1.9074678290776628,1.7309483341847067,1.639575169656593,1.4278637559010106,1.1237429544676982,0.8971623954247656,0.8062163819466643,0.6351982786181988,3.535208436577642,3.3454478810263164,3.1218781143888097,2.9059882740883407,2.5192490167907646,2.0941038854816316,1.8566288848693833,1.6583713482298923,1.8564874504232198,1.7061720530072537,1.5786257571686202,1.3695540282242993,1.0776405051110178,0.8289473371526237,0.6912191344749552,0.5341072590382171,3.678359761294669,3.527225288164064,3.316341440879685,3.1099260681495267,2.7796878106715197,2.4192484349835874,2.2378201440794667,2.0557050990271355,1.672945969453785,1.4810624684895464,1.3199236782964743,1.103120233613625,0.7483418444556698,0.4189427259212759,0.2505886040626831,0.06768612688530698,3.547231865762095,3.343061727176046,3.1375094829440715,2.9216517324692393,2.5291848475608236,2.1221669405982566,1.8965439350260265,1.702475922693718,1.8306112791064744,1.6969045346631426,1.5366384794229455,1.3345973831712374,1.0482306763844584,0.7731274748309739,0.6219709465206481,0.47198979059915924,3.7217314980367733,3.5652314753111907,3.3897912249813946,3.1792150479625434,2.8580228184223646,2.538347830251312,2.366643753952954,2.2008378555223316,1.622671935143712,1.4373810801651736,1.249933830880817,1.0337989236735834,0.6726712154174398,0.30829959172368215,0.11136352238478257,0.07082938681747064,5.024053618739243,3.5197493846110084,3.448682899367569,3.2506728438878376,2.859256884305848,2.614698957178365,2.336579598639927,1.9371871935056173,1.782412737296283,1.5321949381037991,1.3543015590380432,1.1641477023568696,0.7956014086230019,0.4973489155371558,0.4279343557970156,0.22546977623936337,0,0,1,0,0,3,6,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.49279927982674443,0.348461712529338,0.08333333333333333,0.10059223176554563,0.07112944921610614,9.234204518682008,5.8080604124904465,4.09673554708526,2.5819512300735075,1.7334895175441691,0.8966380477393471,0.5456304961780413,0.31856842356207543,0.7695170432235007,0.528005492044586,0.37243050428047825,0.25819512300735076,0.19260994639379658,0.12809114967704957,0.09093841602967355,0.06371368471241509,8.26624404923356,4.964690378025045,2.969234732193461,1.7897794361340933,1.106047379254228,0.6154269355176072,0.34678421178103774,0.17513094628632594,0.6888536707694634,0.4513354889113677,0.26993043019940555,0.17897794361340932,0.12289415325046978,0.08791813364537246,0.05779736863017296,0.03502618925726519,16.847876246692447,31.539694100509827,29.9529411764706,30.399999999999988,18.946023952095814,246.5915928143713,0.526496132709139,0.9856154406409321,0.9360294117647062,0.9499999999999996,0.5920632485029942,7.705987275449103,2.910000000000002,50.00900000000003,45.97442575750611,72.06883204975644,91.94885151501222,7.662404292917685,45.97442575750611,0.08782557260575158,0.007318797717145965,-2.9188830732028213,105.32914032676408,8.777428360563674,5.588508140522509,165,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.662995638070043,-0.047223639455781896,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1164717970521543,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.028104922524565,0.0,7.02278974552784,0.0,0.0,0.0,0.0,0.0,0.0,-0.047223639455781896,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.853521904132023,4.80947373393802,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.80947373393802,-0.047223639455781896,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2316840277777778,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.8422449766943814,0.0,0.5077314814814815,0.0,0.0,0.0,0.0,0.0,0.0,-0.047223639455781896,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.853521904132023,4.80947373393802,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.853521904132023,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1858599458301837,0.0,1.280580750818846,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.853521904132023,4.80947373393802,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,26.666666666666664,2.222222222222222,0.5559027777777779,10.853521904132023,0.189398935500126,-0.047223639455781896,5.131784517038296,1.7138903061224486,3.8535219041320237,10.697711167800454,1.7138903061224486,3.8535219041320237,10.697711167800454,5.66666,0.47222,0.0,0.02778,0.49792,0.82778,0.42632,0.49792,0.82778,0.0716,0.0,-0.0716,0.0,0.57047,0.14382,0.0,0.23529,0.08824,0.0,7.75,0.64583,6.25,0.52083,1.5,0.125,-4.75,-0.39583,0.0,0.0,11.28521,0.94043,14.57483,3.28962,0.27413,4.72862,0.39405,5.80805,1.07943,0.08995,0.10595,0.00883,0.10595,0.00883,0.0,11.02,2,2,2,2,0,0,0.9,1.198192411043098,1.8734936758692482,3.203626767019874,3.9056390622295662,3.9650182662886326,3.713710641914682,38.342157153379134,59.95179762781594,102.51605654463597,124.98044999134612,126.88058452123624,118.83874054126983,0.23963848220861958,0.37469873517384966,0.6407253534039749,0.7811278124459132,0.7930036532577265,0.7427421283829364,3.801807588956902,3.1265063241307516,1.7963732329801259,1.0943609377704338,1.0349817337113674,1.2862893580853179,0.23963848220861958,0.37469873517384966,0.6407253534039749,0.7811278124459132,0.7930036532577265,0.7427421283829364,10.71860944884017,19.071906790503974,23.454104277208568,25.10792876112196,24.221453689323635,23.281168639247113,43.93974703476992,29.34186086912346,23.78626767019874,19.63787578003305,20.878098752574473,22.768342852304517,12.0,9.090909090909092,9.0,12,3,8,2.34,1.5920000000000014,0.09999999999999998,3.4066614761052914,0.43643578047198467,0.0,7.963811952022753,2.476871056846167,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,5.354,11.0,10.0,9.0,7.0,6.0,5.0,4.0,2.0,1.0,78.0,2.5649493574615367,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.0986122886681098,0.6931471805599453,4.499809670330265,1.141025641025641,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.7272727272727273,10.0,0.9090909090909091,0,5.0,10.0,1.0,1.5,0.666666666666667,0.375,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.02469135802469135,0.020000000000000004,0.0,0.13636363636363635,0.060606060606060635,0.0375,0.01777777777777778,0.015873015873015876,0.013605442176870748,0.0125,0.006172839506172837,0.010000000000000002,0.0,0.31039877230353424,45.97442575750611,72.06883204975644,91.94885151501222,7.662404292917685,45.97442575750611,0.08782557260575158,0.007318797717145965,-2.9188830732028213,105.32914032676408,8.777428360563674,5.588508140522509,26.3,196.460299659789,4.584962500721156,3.8066624897703196,4.465908118654584,5.1647859739235145,5.84354441703136,6.55250788703459,7.239214973779806,7.952615111651,8.643120748014027,9.358846580275406,82.02720630013461,3.1354942159291497,0.0,4.204692619390966,0.0,5.424950017481403,0.0,6.717804695023691,0.0,8.049746290952191,8.36287583103188,172.14632988,5.37957280875,22.652004282993865,1.8876670235828221,5.3127959408745715,5.3127959408745715,0.0,265.0,10.0,3.762,44.0,1.238,2.1297246391380087,2.85729368328261,3.651138276940685,4.905009820611609,5.867635841847662,7.165150464994975,8.243397952870644,9.503595213034023,10.604498274222275,89.80198580716124,92.13672914393732,91.02406208938777,132.88847192966838,144.35018322506122,164.46039388861925,195.56874345598266,229.65962889646295,194.16917500825113,152.34631495583733,287.2068983513688,325.9268069608389,351.6202717514896,507.8321791292749,600.4576388530496,682.6984279635097,796.450026734583,896.4584203692403,995.1233143566923,1000.83673360025,9.349043292645163,15.888845754548829,20.993578912276885,27.065964152556536,36.30169398195839,42.79536068668698,52.56827382103613,61.159190619473094,71.72158474975502,73.84321358604352,2.0650362471161285,2.5608341125422758,2.851473775227396,4.052313660910715,4.94664401293261,5.724459659595953,6.669558739009575,7.416807814078717,8.498169797038964,9.62466114123852,179.25789310602818,334.900938083186,474.6709106926909,587.9942224687102,807.4114535034483,970.4290502794238,1196.4496536774138,1384.3014080656587,1607.1902184650662,1758.3172842668148,3.0978091397849457,5.151880577474281,5.776315060258016,8.424776831206868,10.862919214479945,11.624109597721308,14.929201419294815,19.425368890118122,22.05797028222764,16.043843020533306,0.4542924193548389,0.5835600008576093,0.6557300715729206,0.9275794674979975,1.1415365570646914,1.3137188444873946,1.5590117682620752,1.7788049522040135,2.0140448404541638,2.0830930847460785,499.9814928507792,473.649005944767,16.193384716647813,208.85877374733406,-197.85882474212383,-22.380732368963802,291.12271910344515,671.5078306868909,38.57411708561162,0.7053514259994073,0.6682027365881977,0.02284489959122042,0.2946485740005927,-0.2791303401705629,-0.03157373166224608,354.40701468646904,335.74148764781995,11.478523139674449,148.0475088644153,-140.25030207899644,-15.864364299077327,0.2759752081899644,0.33345469643386166,1.709772482357426,3.9884926905555265,656.2812906038621,52.55897599425114,0.9258521581364251,0.07414784186357484,834.3108672138645,28.884439880563107,9.414038429386283,1028.051588849617,32.063243579675735,10.092644348094845,1438.7259096127482,37.93054059215012,11.289100905624823,3.058137361510185,3.058137361510185,2549.9367974197767,2476.931069564571,103.05205645191822,1.02947426706874,24.744162176031104,24.035726746707393,5.624548694191116,6.901696073057126,13.425961291707974,0.9453133185798062,5.591237126290614,8.087097611490863,4.425416310447263,31.09236990703059,13.31937241800647,1.753278110120167,7.224505173675883,8.730421535503288,18.708212431153797,1.5295597037913067,4.075698191798251,12.721589983606373,3.3214265790368684,7.344575032088378,3.177375781771493,7.388358544650737,3.164231646109925,2.529740255295848,0.1007652303810092,1.5396200010940415,6.16248333725848,6.684326388618948,0.3906217456910703,3.0069423697517284,0.004417474345374517,1.1938568771596962,9.775505655399488E-15,1.5943834970659888E-50,5.015593221017276E-108,3.0431806079141265E-187,0.4857413081727442,8.237894321710577,0.37495481710830286,7.433024357740804,0.25367083576388333,1.6749935913329974,1.0452998287983544,0.5413757771881157,5.620046064545662,0.037504952082825324,2.726871300097529,1.6441340612924367,0.30941835328435496,2.700860611824605,0.072244412270705,2.9201756585235574,0.22060445242894555,0.5314624678084885,0.003725053923163507,0.07030588856451753,1.446434669581585,0.3006786532336295,0.33776895041249877,0.022298218312233893,3.526605698102504E-4,0.008408431601883808,6.884968562798666E-17,1.122937333505714E-52,3.532523315703492E-110,2.1433369848069566E-189,1.520614717544933,7.956823384609351,0.9620625198259654,8.97350775404126,1.1639238618065573,1.5284380374412352,1.9246408965593509,1.394683650265275,6.626843240732866,0.18094105965404694,2.48407638898878,2.912700470061756,0.6192503617628652,3.0894652071378617,0.36131650845227475,3.1100760254629476,0.575834281603139,0.7330152386741166,0.00952282171175263,0.18952753807411207,2.216006986040381,1.142140201927534,0.3484830075797442,0.22356998349817364,0.0011503364607643965,0.08762234022647061,7.174668076302626E-16,1.1701872804364528E-51,3.681161653942282E-109,2.233522390318993E-188,5.282786855238359,8.237643010861389,4.652020288440877,30.104893979091944,12.418850210884141,1.8314038743587604,7.114799458510092,8.482603900569346,18.801252695985582,1.3812168200701813,4.132523074019288,12.058184679470235,3.0305138164749588,7.590123133327704,2.865320233767114,7.327667444804326,2.9534994330454243,2.945722926581862,0.09089035586103689,1.562752745003332,5.805467116887387,6.130233378856449,0.38735984166722814,2.679902660260564,0.004157294930077831,1.0637049838963064,8.70979954522978E-15,1.4205669913348042E-50,4.468803261480861E-108,2.711419133620189E-187,2.2335245704976976,7.8500363620315845,1.2945008743049145,10.71939778490335,2.178346060249779,1.4833270111630863,2.5730094166418658,2.0858135404497036,7.591197775986843,0.3272465245125396,2.487398858637596,4.09615550801516,0.9222913166028541,3.4368201327011905,0.6621192718261474,3.4668800964692985,0.886867889108655,0.7779319109426772,0.0177153055282909,0.28014338586729937,2.8016218511593065,1.8568289560016948,0.35585994061153464,0.48286783728877364,0.0017074290722734905,0.19032743164972865,1.5584337788429111E-15,2.5418031412880216E-51,7.995975013580421E-109,4.851509089837733E-188,6.752251599391021,8.182647304846233,5.897514312517594,41.90653733184115,19.421716051066724,1.866765274011728,9.210995209014976,12.126496746140141,24.115243639693972,2.1435262614717114,4.851354930742741,16.4607387464333,4.525756045665306,9.036393539094576,4.471255290388493,9.090437911949191,4.222787543851935,3.491791608122875,0.145412098399219,2.2275070336291236,7.56190674728527,8.92128769592976,0.4027289626927506,4.381689928274275,0.0053936710047018,1.741128054790323,1.4256656281003087E-14,2.325258487801937E-50,7.314771339513925E-108,4.438192913742702E-187,3.580470667845017,8.140446496524653,3.7154197653190595,24.673803599956933,7.5069966697896895,2.0423283618712267,5.733826956526624,7.467279040355935,19.087994725173527,0.6517480986777101,3.820699637636729,9.38457071386611,1.6048818860426914,9.48964441837826,1.3397883406001077,6.082848049379071,1.9637650388886805,3.9751301469322016,0.04401205715752688,1.093465425213967,4.606425462141276,3.1886602863804705,0.5535038771722716,1.1560671287720414,0.0032904437388005517,0.45678443594164164,3.74022960563696E-15,6.100308841999745E-51,1.9190281215498136E-108,1.1643586128696838E-187,17.010984653033574,0.8183697474796521,0.4658287593750001,0.9298067422648041,0.04473143232989923,0.5498431208746016,0.5656421039123876,0.5624848934774355,18.295183159888225,22.226701255731598,47.00681477788686,0.8947101133972061,1.6779701182644247,14.608520466070686,0.5241354393898279,0.08722323625049336,0.9598315683095765,0.03443755594309568,0.4060741652813659,0.22827782824775777,0.019720715178179166,15.219879141711006,8.976762514458658,24.864496307675854,0.9397473524643647,0.6540727087073029,15.738916561514865,0.5824733731187397,0.2396968922959708,0.9503552952770105,0.035171204595799484,0.4708004702581927,0.2864585330962692,0.14893030361894513,16.561086826929575,13.07968626410237,31.838194307726965,0.9255329429155157,0.906189306973407,16.835818457791227,0.8221797404358888,0.446121612525402,0.9299440477516054,0.045413958205666224,0.5386336395218373,0.5710544066373441,0.5158991291086512,18.10411981075252,21.71968347981626,45.9990493664634,0.8949160716274083,1.6255871752678326,16.243996893093737,0.6275609508263527,0.3141468827737512,0.9452040024790261,0.036516451365045756,0.5013903172495138,0.3326645247872808,0.2558136871469151,17.185704726693842,15.49424543965475,35.88239431828999,0.9178060037185392,1.0898685291837098,17.139388287883946,0.853524015382388,0.49223299770090145,0.9271979207535429,0.04617350859220605,0.5581763904062652,0.6152898089795181,0.6280579483839891,18.485145300967236,23.485584673078794,49.171547189574156,0.8907968811303145,1.8015241477697725,16.880537031771347,0.8326305673253689,0.4491160511130134,0.9294281136048892,0.045843935892706654,0.5415296460140375,0.5855918672353356,0.5228479644997103,18.162283650209726,22.01051901032997,46.48524154343528,0.8941421704073338,1.6499694777490834 +UMLCN0477,L,hexyl butyrate,CCCCCCOC(=O)CCC,Esters,,C10H20O2,NREL (2014),IQT,PubChem,,29,0,-1.3821000000000006,1.9102004100000016,41.9085,32.53985999999997,0,0,32,12,20,0,10,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1974.8984919999978,1972.7466949999991,2275.1984469999998,2078.300969999996,1909.733968999997,1515.2423269999977,1286.3233419999979,1051.7830329999977,865.1486399999999,5289.625460040611,6591.056047632474,8328.88525814675,8221.933049975309,7254.826988547397,6282.682929949554,5481.820860817941,4749.589396376854,4008.2657525360696,236.47787200000016,232.7784200000001,430.28357200000005,542.2549199999999,471.43849999999964,408.6493879999998,351.39949599999994,328.68554800000004,259.53837600000026,38.06766609698002,48.60010620000001,66.66644565503702,68.47913293116801,58.74868842437606,51.13123403728205,46.24727043128206,40.764202676980055,34.816865599886015,5337.199172989981,4536.835788223001,9207.261320197838,12383.79621568827,10535.539005944976,9030.347347223082,7945.569878669084,7581.633392434232,5942.902841823187,107.77777777777777,75.5,133.58333333333334,148.75,149.83333333333337,129.08333333333334,98.83333333333333,89.66666666666666,75.75,61.71557787499993,63.63699016129029,39.22755943103448,28.08514824324319,30.313237603174553,28.06004309259255,26.798402958333288,23.372956288888837,24.031906666666664,165.3007956262691,212.61471121395076,143.60146996804744,111.10720337804472,115.15598394519678,116.345980184251,114.20460126704045,105.54643103059675,111.34071534822415,7.389933500000005,7.508981290322584,7.41868227586207,7.327769189189187,7.483150793650788,7.5675812592592555,7.320822833333332,7.304123288888889,7.209399333333341,1.1896145655306256,1.567745361290323,1.1494214768109832,0.9253936882590271,0.9325188638789851,0.946874704394112,0.9634848006517096,0.9058711705995568,0.9671351555523893,166.7874741559369,146.34954155558069,158.74588483099723,167.34859750930093,167.23077787214248,167.2286545782052,165.5327058056059,168.48074205409404,165.08063449508853,3.3680555555555554,2.435483870967742,2.30316091954023,2.010135135135135,2.378306878306879,2.3904320987654324,2.0590277777777777,1.9925925925925925,2.1041666666666665,0.28275708995367815,-0.16328842951830141,0.04237821621868887,-0.005947475627000397,0.012700379499142841,-0.039250553021516255,0.01285845701016684,-0.010774906712552414,0.021385553738552984,1047.5152474999995,-17.494444640626128,-140.73239784375062,124.94200540625016,-49.03596039062522,-310.5118082812504,-104.75152475000002,-38.27571017187482,-86.72088568749997,1532.8858307768633,-152.1482942132777,-528.2491709554314,151.1689227896448,-0.8572185637962519,-129.37524096244908,-153.2885830776862,100.16567768562057,-150.88585248903303,2.0733199999999994,0.03430575000000162,0.829684500000001,-0.18992949999999978,-0.4952582499999975,-0.8521814999999957,-0.20733199999999985,-0.30441274999999984,-0.06369100000000123,6.783892946367493,-1.0554363209566229,-2.648907633815328,0.25078878501940466,-0.04497365474439176,0.3657893281999666,-0.6783892946367496,0.8129203806913247,-0.6728094660836874,37.64305050992998,-6.380821146064415,-14.479189542535101,0.5028133959187179,-0.5552031159829921,3.2754094340351707,-3.76430505099299,4.918541979400381,-3.6745326069727526,39.7222222222222,-0.029513888888886897,10.961805555555566,-3.038194444444436,-5.661458333333325,-14.197916666666673,-3.2499999999999982,-4.2135416666666625,-0.08333333333333448,0.008836159061052442,-0.005267368694138756,7.306589003222219E-4,-8.037129225676212E-5,2.015933253832197E-4,-7.268620929910417E-4,2.678845210451425E-4,-2.3944237139005364E-4,5.940431594042496E-4,32.734851484374985,-0.5643369238911654,-2.426420652478459,1.68840547846284,-0.7783485776289718,-5.7502186718750075,-2.182323432291667,-0.8505713371527738,-2.408913491319444,47.90268221177698,-4.908009490750893,-9.107744326817782,2.0428232809411457,-0.013606643869781778,-2.395837795600909,-3.1935121474517962,2.225903948569346,-4.191273680250918,0.06479124999999998,0.001106637096774246,0.01430490517241381,-0.002566614864864862,-0.007861242063492023,-0.01578113888888881,-0.004319416666666663,-0.006764727777777774,-0.0017691944444444786,0.21199665457398414,-0.03404633293408461,-0.04567082127267807,0.0033890376353973603,-7.13867535625266E-4,0.00677387644814753,-0.014133110304932283,0.018064897348696103,-0.018689151835657985,1.1763453284353118,-0.20583294019562628,-0.24964119900922588,0.006794775620523215,-0.008812747872745906,0.06065573025991057,-0.0784230218956873,0.10930093287556401,-0.10207035019368757,1.2413194444444438,-9.520609318995773E-4,0.18899664750957873,-0.04105668168168157,-0.08986441798941786,-0.2629243827160495,-0.0677083333333333,-0.09363425925925917,-0.0023148148148148468,-0.5961151964042823,0.08268965002483734,-0.009095727193393166,0.022814587649490396,-0.0822599602348566,0.030316851382396433,-0.027098015069178093,0.06722866296314672,-0.017239635993477317,-0.07412346604464173,0.051578223266684146,-0.023777367005941467,-0.17566044784469861,-0.06666666666666671,-0.025983662628155466,-0.07358864885851911,-0.102457926448725,-0.19013015360084834,0.04264527969247854,-2.840476407902803E-4,-0.05001468988748791,-0.06666666666666662,0.04646720905373651,-0.08749559495899134,0.017080039307379412,0.2207845221756613,-0.03961360314648757,-0.12133184748699903,-0.24356898329463955,-0.06666666666666664,-0.10440804549654122,-0.0273060705642271,-0.16059844435989845,-0.2154318018105306,0.015986278850521337,-0.003367352834221897,0.03195275162129284,-0.0666666666666667,0.08521312463632148,-0.08815776774031926,-0.17497662907320774,-0.21221761414335727,0.005776174271513558,-0.007491633332252848,0.051562860661495014,-0.06666666666666653,0.09291568575441031,-0.08676903603591818,-7.669749605232962E-4,0.15225464190981455,-0.033075033075033004,-0.07239427239427233,-0.21181041181041202,-0.05454545454545455,-0.0754312354312354,-0.0018648018648018917,1.6248559151705744,0.945802708216712,1.1046220106586486,1.3647738012143005,1.4747649337713258,0.9594309099078738,1.052241448124175,0.7099274921333276,1.1785186983638645,1.115199233626563,0.9117529167710483,1.0627734234772175,1.2548236098587207,1.0333333333333343,0.9718435594524477,0.9874562437123652,1.5023605150477273,1.303063118747266,0.8870634774425449,0.9242006391189379,0.9701171558773563,1.0333333333333314,0.8602980448168916,1.0682903679213576,0.7108675940038197,0.707376840875571,1.0791140570470343,1.523946257195346,1.8520891345496329,1.0333333333333339,1.1329233842875734,0.718438757376789,1.6501408464124052,1.359171197563814,0.9043707091918403,0.9176025603335665,0.8805761131821409,1.0333333333333348,0.8093959306801732,1.0721392472128286,1.6738177067137263,1.3603708117345952,0.9146581292434274,0.931440279816705,0.8768496230110264,1.0333333333333332,0.8012405676874942,1.0640672441809957,0.5769230769230773,0.5042078611044131,0.9289453789453793,1.4787712287712294,1.8257964257964265,1.0215909090909097,1.1012587412587418,1.1227564102564107,83.61327656669654,42.05663828334826,65.88377923562916,84.02994323336318,7.002495269446932,42.05663828334826,0.4999999999999858,0.14627138593171457,0.012189282160976214,-2.306749889961132,68.35578087857087,5.696315073214239,5.069671364625339,83.6325347041051,42.065532931151225,65.89904657409072,84.04797733593622,7.003998111328018,42.065532931151225,0.49853115819734484,0.14614223124982223,0.01217851927081852,-2.3078099338116416,68.40382801086677,5.700319000905565,5.070514545760405,100.75374270209582,49.977876872989896,79.82238929709732,100.08875190533246,8.340729325444372,49.977876872989896,-0.797988956116022,0.057695299064351,0.004807941588695917,-3.4230954969705065,59.07119614286093,4.922599678571744,4.8944921168364095,83.65274662284723,42.07486811164255,65.91507123953204,84.06690462321212,7.005575385267678,42.07486811164255,0.4969896004378711,0.1460067685527892,0.012167230712732435,-2.308922758077335,68.4545599204352,5.704546660036267,5.0714041995871195,118.99651729244115,58.415964381881444,95.1413923846997,117.1926935185426,9.766057793211884,58.415964381881444,-2.164588528678266,0.0010535589571435966,8.779657976196638E-5,-8.226697635802875,51.47535128321947,4.289612606934956,4.729323692684094,85.63082098386954,42.988544677813074,67.48910828300147,85.91937796033338,7.159948163361115,42.988544677813074,0.34626837175660796,0.1331769498334,0.011098079152783333,-2.419291902179286,75.50992444721942,6.2924937039349516,5.189116916697935,83.55828876471503,41.982317863855464,65.97238073695972,84.26286723454653,7.021905602878878,41.982317863855464,1.1760317460317324,0.239730828407956,0.019977569033996334,-1.713886240015529,61.10782925364177,5.092319104470147,4.935167995591209,0,11.89,15.99591966460254,-0.31565898648249724,0.2614796921955651,4.183482560435073,7.131395449121984,11.0,31.0,30.0,30.0,10.0,1.0,1.0,0.0,0.0,1.0,24.73813999999999,3.5620063686062746,3.408465223354462,3.1151712490110803,2.9043696383049964,2.52468875053127,2.0955950857256678,1.9476052516831261,1.4938877636307004,1.8839508767987856,1.7920613545005237,1.6233867663471322,1.3291956719255562,1.22518626992807,0.9179271853981441,0.7363685711238612,0.6556875441321973,3.5012833183797616,3.4062379153516864,3.1204659376174826,2.84932682696639,2.5412547782114117,2.09361435800639,1.9391824226550727,1.5425576703582864,1.836955290316374,1.7516807993165793,1.5637322208175244,1.3157631814544613,1.1360731826304376,0.8282436214295921,0.6868229876900004,0.515973191852262,3.6631062899610756,3.557835131087328,3.3090694408368475,3.0848565732021527,2.790290160222144,2.427729563263948,2.28748460540037,1.9648791261552694,1.6413887670336504,1.5455968565182392,1.3141532543734447,1.020664334588881,0.812558948600571,0.42048918179228145,0.27061303431599043,0.02328485665912521,3.509390137685547,3.412777290622081,3.139465499417725,2.8413809387828612,2.572650349773259,2.1184731602859146,1.967106665331279,1.607444746826967,1.8172675125844928,1.726909853684021,1.5256414709225323,1.3040625529888645,1.0791679071245786,0.7738039818228859,0.6442769258207425,0.4235860795097631,3.700420212145141,3.6087083037786396,3.379812326090227,3.137099256359607,2.890383102234638,2.539820895137411,2.4026328836489106,2.1364928666618273,1.5913137961886914,1.4977331340494429,1.2447968891208456,0.9692267486077752,0.7138763860645629,0.3076506175457978,0.16192632764258094,0.14787738159031757,5.024032084139558,3.545588159067678,3.3687258921969767,3.2985115609584787,2.913167640229959,2.555734100617015,2.3437999543457733,1.9131475235026933,1.7467061459057158,1.5867605360455528,1.4029472697813734,0.9959361621957005,0.9036052450322845,0.5638315159443682,0.3138122794837329,0.257242214588473,0,0,1,0,0,3,6,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.49279927982674443,0.348461712529338,0.08333333333333333,0.10059223176554563,0.07112944921610614,9.234204518682008,5.8080604124904465,4.09673554708526,2.5819512300735075,1.7334895175441691,0.8966380477393471,0.5456304961780413,0.31856842356207543,0.7695170432235007,0.528005492044586,0.37243050428047825,0.25819512300735076,0.19260994639379658,0.12809114967704957,0.09093841602967355,0.06371368471241509,8.26624404923356,4.964690378025045,3.0311303522373056,1.715064813453422,0.9911359307573105,0.5036701540674314,0.2522863287630743,0.13793121123140584,0.6888536707694634,0.4513354889113677,0.275557304748846,0.17150648134534222,0.11012621452859006,0.0719528791524902,0.04204772146051238,0.027586242246281166,16.847876246692447,31.539694100509827,29.9529411764706,30.399999999999988,18.946023952095814,246.5915928143713,0.526496132709139,0.9856154406409321,0.9360294117647062,0.9499999999999996,0.5920632485029942,7.705987275449103,2.910000000000002,50.00900000000003,45.97442575750611,72.06883204975644,91.94885151501222,7.662404292917685,45.97442575750611,0.08782557260575158,0.007318797717145965,-2.9188830732028213,105.32914032676408,8.777428360563674,5.588508140522509,165,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.843578593474426,-0.047223639455781896,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.191001118039809,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.154202176240867,0.0,6.716109536407156,0.0,0.0,0.0,0.0,0.0,0.0,-0.047223639455781896,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.853521904132023,4.990056689342404,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.990056689342404,-0.047223639455781896,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2397465120307382,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.9844671989166036,0.0,0.5632716049382716,0.0,0.0,0.0,0.0,0.0,0.0,-0.047223639455781896,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.853521904132023,4.990056689342404,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.853521904132023,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.169734977324263,0.0,1.2413970773494585,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.853521904132023,4.990056689342404,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,26.666666666666664,2.222222222222222,0.5559027777777779,10.853521904132023,0.11486961451247168,-0.047223639455781896,5.038438669847569,1.7138903061224486,3.8535219041320237,11.026627141597379,1.7138903061224486,3.8535219041320237,11.026627141597379,5.66666,0.47222,0.0,0.02778,0.49792,0.82778,0.42632,0.49792,0.82778,0.0716,0.0,-0.0716,0.0,0.57047,0.14382,0.0,0.23529,0.08824,0.0,7.75,0.64583,6.25,0.52083,1.5,0.125,-4.75,-0.39583,0.0,0.0,11.22362,0.9353,14.57483,3.35121,0.27927,4.75049,0.39587,5.80805,1.05757,0.08813,0.10595,0.00883,0.10595,0.00883,0.0,11.02,2,2,2,2,0,0,0.9,1.198192411043098,1.8734936758692482,3.2272170014624826,3.890319531114783,4.051108500731241,3.9886085007312415,38.342157153379134,59.95179762781594,103.27094404679944,124.49022499567306,129.6354720233997,127.63547202339973,0.23963848220861958,0.37469873517384966,0.6454434002924965,0.7780639062229566,0.8102217001462482,0.7977217001462483,3.801807588956902,3.1265063241307516,1.7727829985375174,1.1096804688852169,0.9488914992687594,1.0113914992687585,0.23963848220861958,0.37469873517384966,0.6454434002924965,0.7780639062229566,0.8102217001462482,0.7977217001462483,10.71860944884017,19.071906790503974,23.73718709051987,25.092489354185982,25.254536502634934,24.504536502634934,43.93974703476992,29.34186086912346,23.085891890165694,19.716917186688697,19.052722972541424,20.177722972541424,12.0,9.090909090909092,9.0,12,3,6,2.34,1.5920000000000014,0.09999999999999998,3.50676712447269,0.43643578047198467,0.0,7.259024007860543,2.476871056846167,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,5.354,11.0,10.0,9.0,7.0,6.0,5.0,4.0,2.0,1.0,78.0,2.5649493574615367,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.1972245773362196,2.0794415416798357,1.9459101490553132,1.791759469228055,1.0986122886681098,0.6931471805599453,4.499809670330265,1.141025641025641,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,8.0,0.7272727272727273,10.0,0.9090909090909091,0,5.0,10.0,1.0,1.5,0.666666666666667,0.375,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0625,0.02469135802469135,0.020000000000000004,0.0,0.13636363636363635,0.060606060606060635,0.0375,0.01777777777777778,0.015873015873015876,0.013605442176870748,0.0125,0.006172839506172837,0.010000000000000002,0.0,0.31039877230353424,45.97442575750611,72.06883204975644,91.94885151501222,7.662404292917685,45.97442575750611,0.08782557260575158,0.007318797717145965,-2.9188830732028213,105.32914032676408,8.777428360563674,5.588508140522509,26.3,196.460299659789,4.584962500721156,3.8066624897703196,4.465908118654584,5.1647859739235145,5.84354441703136,6.55250788703459,7.239214973779806,7.952615111651,8.643120748014027,9.358846580275406,82.02720630013461,3.1354942159291497,0.0,4.204692619390966,0.0,5.424950017481403,0.0,6.717804695023691,0.0,8.049746290952191,8.36287583103188,172.14632988,5.37957280875,22.652004282993865,1.8876670235828221,5.427207354473576,5.427207354473576,0.0,265.0,10.0,3.551,44.0,1.238,2.1297920451312207,2.8592120566610726,3.6357874900626075,4.9141122595867515,5.88912553003748,7.086832466817779,8.168968487522392,9.400469789211703,10.466290609734406,89.80198580716124,92.05708809447579,93.05770083742443,134.870310013932,157.18807381660446,181.8618436510762,184.8802364756672,218.15239427526845,162.92470334470934,120.75032853269511,287.2068983513688,326.0725097637199,346.7375424605179,480.89822637221715,620.5198252883946,738.0473659056947,803.374971715524,977.4314595956263,941.7922583964371,847.5070657765625,9.349043292645163,15.884707173733776,21.03195997344765,27.39768353770499,37.333037984101985,43.325395029022154,51.949790272933,58.99131219582817,67.62582878996534,72.3382242400059,2.065036247116128,2.5619346428884984,2.8034145056545046,3.760521786430901,4.935024287189821,6.073170692672853,6.75535978809583,8.344956666133108,8.587769841503736,8.473246162132831,179.25789310602818,334.86467843349055,474.9450011457732,595.7381753419425,814.1756850684613,961.8301678225074,1184.6522644880615,1333.8312110899399,1567.8089287232874,1777.7329688722655,3.0978091397849457,5.092773446340657,5.890074521349158,8.911456908153623,11.910059290868922,12.428797654241768,14.367515333758236,17.41472909186208,18.325109106137553,14.698996946771137,0.4542924193548388,0.5836945220589637,0.6531447023105383,0.8947785544895276,1.1715116179781588,1.3943080698336503,1.5492301008066427,1.8686415756128794,1.9237264273771941,1.8475698898248563,499.76423208382937,473.6772885407307,15.99460515970101,199.89690619157878,-189.46258742387408,-21.079330660221277,299.8673258922506,663.1398759646047,37.07393581992228,0.7142946845893088,0.6770095731031966,0.02286050244140477,0.28570531541069133,-0.27079192634720234,-0.030127914081636196,349.66561148910733,331.41359087561653,11.190803652302124,139.8600969237325,-132.55960957759177,-14.748388483814129,0.27583811158471927,0.33299098791086806,2.281455733805568,3.0725585093346064,648.9566346070941,50.70450366831413,0.9275299128471028,0.07247008715289727,834.3108672138645,28.884439880563107,9.414038429386283,1028.0515888496172,32.063243579675735,10.092644348094847,1448.8065681235685,38.06319177530398,11.315405849152281,2.937496531465854,2.937496531465854,2490.3844891672106,2414.6897776937735,105.74104007015012,1.0313475926277087,23.551730600673626,22.835880714733218,5.602728380201617,6.901696073057126,13.42284798201048,0.9448622251580531,5.5912371262906015,8.087097611490874,4.434988029948437,30.18787303989547,9.649230491208034,1.7094095683334125,9.071024244176726,10.122872736253935,12.16182496711842,2.234601039836808,6.679988123118841,9.219820796591405,5.840999317391171,1.586382525460629,3.556458202915002,10.561176658048772,2.5063927383842652,1.2930502834233208,0.3810642122847692,1.0079620845561115,5.8789117279444,6.112115967431075,0.3926852155526914,3.0414486985892912,0.0036992946213013035,1.1362173917526535,6.8310507106880124E-15,8.160781507491475E-51,1.8804073691276647E-108,8.35695461014229E-188,0.4857413081727433,8.23789432171059,0.3848217600982228,9.045618411279179,0.1311672752546409,1.6889925600851066,2.1425084296445647,0.6947977031064756,2.567371288773777,0.1919605665674759,4.07182829573899,0.41847581750817797,0.594085418293979,0.11257458878810783,0.22839653540060184,3.738558178008431,0.1506160510794518,0.6436170726805598,0.0035914690831392077,0.009490870484368837,1.340121152360065,0.3093351046294123,0.36039190223306716,0.02269823458349884,2.88649764959293E-4,0.008002471993253045,4.811164869818536E-17,5.747705142589002E-53,1.3243862852811003E-110,5.885871462800939E-190,1.5206147175449296,7.956823384609359,0.9651861380618488,9.699127625161235,0.7549875481817675,1.5148576174820274,2.561310510158739,1.7183043623220504,3.4595790605989665,0.39266378895348664,4.3958599734005075,1.336126399393577,1.104037049862203,0.18092861076993874,0.4963320949799326,4.829028425798612,0.5246918003342552,0.7550360612348714,0.030279708001730587,0.0801234129568581,2.0454461641957744,1.1327374622232735,0.3667841405542545,0.22650594313033218,9.461654852385881E-4,0.08339192810803459,5.013604737112167E-16,5.9895519089735674E-52,1.380112619982227E-109,6.133531867313688E-189,5.282786855238348,8.237643010861401,4.665409892354864,29.486004947524595,8.65953406191284,1.794123661022536,9.76962604306776,9.795066942797195,12.021198484842479,2.553319049911031,6.501684762047483,8.891182273704892,5.457687441635759,1.4523636713571297,3.87380525065087,10.092828184898503,2.3263396877243476,1.246723038086797,0.34013919573877777,0.8997228807163066,5.522818600913899,5.629139655258333,0.39063766011329437,2.710755294586853,0.003476817361044795,1.0123492401135545,6.0863432001114815E-15,7.271109400198503E-51,1.6754091118988314E-108,7.445896102849594E-188,2.2335245704976936,7.850036362031591,1.2964201036744583,11.067809823356695,1.5651887278697865,1.4559366157029843,2.920366351286547,2.5522039475525373,4.20486419806844,0.4627384795597351,4.6829956569207365,2.095625561438643,1.5861856614611722,0.29795441634001596,0.6333956128282491,5.663139413987834,0.812699947961449,0.8375689477351278,0.0635538662932355,0.16815336371254103,2.5952903925313873,1.80518620601337,0.3712314520176637,0.48885877856581483,0.0014090112211050847,0.1811384112327805,1.0890219440101197E-15,1.3010107109913536E-51,2.9977890303966326E-109,1.3322850818984567E-188,6.752251599391006,8.182647304846244,5.911497077035544,40.145616442776344,14.0517798487864,1.8255800317951292,11.95984105538425,13.908309819538168,16.245348916204083,3.201663912995273,7.556225369728589,12.849539713048108,8.025304515603915,2.2730123842222767,5.186570393852069,12.587894144103553,3.223630752040432,1.4766787202413778,0.5528203186349839,1.4622169915070997,7.286190427683368,8.045392481843377,0.40034653222010314,4.431502012730712,0.00453856042017624,1.657066282373649,9.96244546864834E-15,1.1901732865594418E-50,2.7423974242305173E-108,1.2187832899153888E-187,3.58047066784501,8.140446496524671,3.7840709582326064,26.037213872284294,4.107773433370206,1.8166067847387626,10.687788420003779,8.069635582326553,9.224368877251646,2.3411050316017894,5.258158195808024,7.6493120065938,3.1113319999994014,0.8188198896245189,3.209073875680458,7.80547682662731,1.3382270470979938,1.119089232089926,0.1480382515238396,0.3916101842035159,4.2837015785905175,3.0012470407434844,0.5735434565371341,1.1700511052935663,0.0027222669631126813,0.43473085453390936,2.6136446549555583E-15,3.1224161363555436E-51,7.1946716217021935E-109,3.197474396483393E-188,17.617677456192435,0.8371744129651333,0.46582875937500035,0.9311333879619959,0.04424652735286204,0.582112009761619,0.5554712534749823,0.562484893477436,18.92068062853257,23.34586953285604,49.13709057413597,0.8967000819429938,1.7000681567140372,14.068034410690068,0.5433848767875764,0.08722323625049334,0.9570975270661849,0.03696837146086013,0.3717922170030843,0.2283093307498567,0.01972071517817916,14.698642523728138,8.918812421362883,24.284220514323447,0.9356462905992773,0.6198222629311202,16.096716257954025,0.6009197144034379,0.23969689229597033,0.9503690094882828,0.0354790048235693,0.48604822877813064,0.2863412516824452,0.14893030361894452,16.937332864653435,13.675205587826394,32.93108673470833,0.9255535142324244,0.9213197840795203,17.250503369570247,0.8418587872696506,0.446121612525402,0.9305239621633226,0.045411415396377545,0.5581404994596011,0.5621954700290598,0.5158991291086512,18.5384837693653,22.593881626300405,47.61116109162569,0.895785943244984,1.636235098597312,16.91254682334832,0.6450890078052574,0.3141468827737512,0.9463267931390256,0.03609539228017499,0.5364621622887124,0.3299784381223867,0.2558136871469151,17.871782713927328,16.42577461496734,37.7249306219745,0.9194901897085384,1.1222542875580142,17.721789272952854,0.8726203649148383,0.49223299770090145,0.9284917002599352,0.04571890308716113,0.589011957720179,0.6034949930780041,0.6280579483839892,19.086642635568595,24.617176218834132,51.315903980077884,0.8927375503899028,1.8205648991821723,17.37099978831492,0.8532836426977752,0.4491160511130133,0.9302537443673579,0.04569514209314397,0.5659780630628682,0.5775990716139445,0.52284796449971,18.673399482125706,23.007208185576374,48.337580922083745,0.8953806165510367,1.6664250991765228 +UMLCN0478,L,hexyl hexanoate,CCCCCCOC(=O)CCCCC,Esters,,C12H24O2,NREL (2014),IQT,PubChem,,40,0,-1.9581000000000002,3.8341556100000007,47.7317,38.727031999999966,0,0,38,14,24,0,12,0,2,0,0,0.0,0.0,0.0,0.0,0.0,2267.4909899999975,2309.703289000001,2662.6155210000015,2471.8144279999983,2303.2474269999984,2106.490697999997,1909.733968999997,1471.3623629999975,1252.5657139999978,6260.994241262991,7897.0363166132065,10155.979481471435,10235.529739885596,9268.423678457673,8261.625333502521,7254.826988547398,6370.747343878009,5835.359975860729,278.43276000000014,276.3299800000001,515.7425880000002,668.0247200000009,597.2083000000003,534.3233999999999,471.43849999999975,408.50955599999986,344.997392,45.423917716376046,58.63208344000002,82.0418259447349,86.5221906499598,76.79174614316788,67.77021728377203,58.74868842437607,52.002017713282044,50.192245889584065,6330.458493266977,5402.914691254602,11055.665718129538,15341.706525765463,13493.44931602217,12014.494160983573,10535.539005944976,9035.860103881334,7791.307239754886,116.27777777777777,86.0,152.08333333333334,173.16666666666669,170.91666666666669,158.75,150.83333333333337,127.16666666666666,94.25,59.67081552631572,62.424413216216244,38.03736458571431,26.867548130434763,28.435153419753068,29.256815249999956,30.313237603174553,27.247451166666618,26.09511904166662,164.76300634902609,213.4334139625191,145.08542116387764,111.25575804223475,114.42498368466264,114.74479629864612,115.1559839451968,117.97680266440757,121.56999949709852,7.327177894736846,7.46837783783784,7.36775125714286,7.261138260869575,7.372941975308646,7.421158333333332,7.48315079365079,7.5649917777777755,7.187445666666666,1.1953662556941065,1.5846509037837841,1.1720260849247843,0.9404585940213022,0.948046248681085,0.941253017830167,0.9325188638789852,0.9630003280237416,1.0456717893663348,166.5910129807099,146.0247213852595,157.93808168756482,166.75767962788547,166.58579402496505,166.86797445810518,167.23077787214248,167.33074266446914,162.3189008282268,3.059941520467836,2.324324324324324,2.172619047619048,1.8822463768115945,2.1100823045267494,2.204861111111111,2.394179894179895,2.3549382716049383,1.9635416666666667,0.29135639727076107,-0.1628727950160009,0.03937155485332777,-0.009815152678309336,-0.018934216379294072,0.005298202797001681,0.04038626583655143,-0.0576543216421288,0.023722378507810584,1211.467208842106,-18.542485451524968,-227.42886318282586,128.29007796121957,-39.095800110802884,-42.29236770083082,-45.48893529085865,-348.30414214404425,-190.847520642659,1833.3929407082658,-153.18435827274212,-683.016186664341,149.8222728816953,-0.429014674495825,-0.8549835323183927,-1.2809523901409605,-40.947802383190435,-313.6528067833169,2.1251014736842073,0.042474459833796344,0.8377657063711914,-0.13022125207756285,-0.3995520886426578,-0.42501752908587054,-0.4504829695290832,-0.9352574626038748,-0.08985365096952963,8.126575126664845,-1.0510555772029058,-3.301320887141062,0.26123504070490217,-0.037192461456956996,-0.0381816831394939,-0.03917090482203124,1.2408094420178537,-1.3008179201968504,44.944867069128016,-6.336924671096552,-17.94077085698939,0.6177121530520739,-0.45659767235993587,-0.47251300869592217,-0.4884283450319138,8.843032964886072,-6.911837896524109,40.48538011695902,0.21014158202524,11.127808556478906,-2.0552477685441755,-7.885503231763625,-8.345106186518931,-3.848568790397044,-13.689750692520771,0.036011080332406575,0.0076672736123884495,-0.0044019674328648895,5.624507836189681E-4,-1.0668644215553627E-4,-2.3375575776906263E-4,7.358614995835668E-5,6.410518386754195E-4,-0.0010676726230023853,4.942162189127205E-4,31.880716022160684,-0.5011482554466208,-3.248983759754655,1.394457369143691,-0.482664198898801,-0.5873939958448725,-0.7220465919183913,-6.45007670637119,-3.975990013388729,48.24718265021752,-4.140117791155192,-9.757374095204872,1.6285029661053838,-0.005296477462911419,-0.0118747712821999,-0.020332577621285087,-0.7582926367257488,-6.5344334746524355,0.05592372299168966,0.0011479583738863877,0.011968081519588449,-0.0014154483921474223,-0.00493274183509454,-0.005903021237303758,-0.007150523325858463,-0.017319582640812497,-0.0018719510618652006,0.21385724017539065,-0.028406907491970425,-0.047161726959158025,0.0028395113120098063,-4.5916619082662956E-4,-5.30301154715193E-4,-6.217603940004959E-4,0.022977952629960254,-0.027100373337434383,1.1827596597138952,-0.17126823435396088,-0.25629672652841984,0.0067142625331747165,-0.005637008300739949,-0.006562680676332252,-0.0077528308735224415,0.16375986972011244,-0.14399662284425227,1.0654047399199742,0.005679502216898378,0.15896869366398436,-0.022339649658088864,-0.09735189175016822,-0.11590425259054071,-0.06108839349836578,-0.25351390171334764,7.502308402584703E-4,-0.5741242135603952,0.0733573382212661,-0.013914521321263,-0.030487467851854168,0.009597433674397554,0.08360883817158105,-0.1392506224477611,0.06445788214916282,-0.015719479295830945,-0.1019106270228136,0.0437398384708294,-0.015139691296873481,-0.018424742889606608,-0.022648380651692,-0.20231906654441706,-0.12471457700714654,-0.08581056061180241,-0.20223717861297508,0.03375332768986133,-1.0977796364421583E-4,-2.461236206949042E-4,-4.2142517976007495E-4,-0.01571682728550638,-0.13543658128238864,0.02052721658135986,0.21400723841949723,-0.025310339090939275,-0.08820481847797494,-0.10555486869464957,-0.12786207611608835,-0.3097001006779575,-0.03347329114950689,-0.13283117031096575,-0.2205290170231286,0.013277601963258476,-0.0021470687195348343,-0.0024796969898249754,-0.0029073619087694757,0.1074452873847776,-0.1267217949469869,-0.14480391933166709,-0.21669383498454536,0.005676776746679769,-0.004765979507707863,-0.005548617271846875,-0.006554865825739965,0.13845574489725604,-0.1217463088647143,0.005330840012336516,0.14920967375827987,-0.020968228149395002,-0.0913755008800511,-0.10878894024748438,-0.05733820322871317,-0.23795079204583777,7.041744908276102E-4,1.6199279538649876,0.9520962274336289,1.0681868282371216,1.3148262605654626,1.4200898495632495,1.535330629857571,1.753074025689622,0.682307462200906,1.2188925240587811,1.1648984556906252,0.9176123162848084,1.035664842090444,1.0624136434710683,1.096804959531871,1.319822628577355,1.0724349230186208,1.5016977059212062,1.337050575142704,0.9095573297134758,0.9416873011823141,0.9331945247223896,0.9222752407024866,0.9351842063106224,1.1781596565402677,0.715866051027954,0.7061028869896068,1.0286894147762473,1.4006223138369454,1.564230167122507,1.7745831213468004,2.201779530938875,0.66185776730381,1.6251898508699645,1.383899446363626,0.9239993798509717,0.9373672750700549,0.9272544888180339,0.9142523350654349,0.803941697889917,1.183019685916558,1.6451584947711915,1.3839347018517505,0.9311155748551952,0.9464430528242799,0.939733683230093,0.9311073508947102,0.7924941471901013,1.1728094359430532,0.5783980933121485,0.5022879222467557,0.8857643708118506,1.4065942296478207,1.5750141436756722,1.7172081673923378,2.1409191583610214,1.0051425050556129,116.0677084321155,58.28385421605772,90.31766419349022,116.49627986068688,8.321162847191921,58.28385421605772,0.49999999999994316,0.04705212264088848,0.003360865902920606,-4.279099019146724,174.0355650736213,12.43111179097295,7.222963545424408,116.08978063383552,58.294155896016406,90.33576951697465,116.51709305514748,8.322649503939108,58.294155896016406,0.498531158197288,0.04707911267759868,0.0033627937626856197,-4.278296181442492,173.97210525846197,12.426578947032997,7.22245296045872,135.68888251820675,67.44544678104532,106.69076675900688,135.00489198439294,9.643206570313781,67.44544678104532,-0.7979889561161144,0.06350070335712849,0.004535764525509177,-3.8593860153164723,161.55881409221308,11.539915292300934,7.118816950438294,116.1129458970533,58.3049677487456,90.35477237508124,116.53893698314293,8.32420978451021,58.3049677487456,0.4969896004378924,0.04710741193121537,0.003364815137943955,-4.277454894296159,173.90569332008988,12.421835237149278,7.221918423818381,156.5451652298784,77.19028835060007,124.50509895229519,154.68980363386848,11.049271688133462,77.19028835060007,-2.1645885286782516,0.07154123182655897,0.005110087987611355,-3.6924738572244165,356.7062681639876,25.479019154570544,8.22767773080358,118.37962823800108,59.3629483048788,92.21862530536758,118.67642969950666,8.476887835679047,59.3629483048788,0.3462683717565227,0.049745736220122794,0.003553266872865914,-4.201162732435869,168.2748140974183,12.019629578387022,7.175837817598182,116.45555589215162,58.40517859741098,90.03137479096857,117.18591700455933,8.37042264318281,58.40517859741098,1.1765873015872614,0.04957899377184238,0.0035413566979887417,-4.205863266671558,153.97364345136228,10.99811738938302,7.051494017885358,0,11.890000000000004,15.995920670931358,-0.31566566967088316,0.26149617452302376,4.30137221454283,7.2425539131773595,13.0,37.0,36.0,36.0,12.0,1.0,1.0,0.0,0.0,1.0,29.11096799999999,3.577188018932482,3.4299385086340544,3.2620772184926787,3.0376393305066873,2.720066416468095,2.500613376015346,2.078830362727823,1.9520047355738221,1.8884142225096654,1.8642848713217017,1.641290166608182,1.5646781755054129,1.279677575022662,1.1617663278318031,0.9189321451499018,0.7959359070708889,3.5221329101551304,3.455858349631198,3.215379458717246,3.057521237220991,2.6953953758655165,2.5086560446192347,2.094077204222412,1.9549381867952542,1.8471808210574232,1.803512214835945,1.6106789542385993,1.4979721951464924,1.2300213634288801,1.0898670071605359,0.8278657474817517,0.714841733157181,3.6794197751050692,3.590397314153589,3.410207320868909,3.2361128571334143,2.943878945989804,2.7591555631354296,2.4188391300256913,2.2966885812951334,1.6539041376311188,1.6128546397485544,1.3659838657008412,1.2535926332839933,0.9135810428486131,0.7673647322193111,0.42326598087647077,0.30219573830947144,3.5270854088336865,3.476832771760114,3.213009238729464,3.0806275828287273,2.7025329270783423,2.535364611358953,2.123114944765052,1.9905816859432852,1.8298077863961457,1.7644723014224646,1.595650803946048,1.4542350393138854,1.1984862130916483,1.0414032447692174,0.7690511075953554,0.6589732811401416,3.7155657061717537,3.6528936395731075,3.455124702288661,3.3113779515340105,3.017788999189643,2.8531855760285496,2.536631442583393,2.4185347805726716,1.607881219150524,1.5542623401521796,1.3172600493634,1.1819177533030927,0.8407769192906656,0.6757200523364416,0.3087645823037935,0.1827128336549444,5.068619684020446,3.559355913220342,3.477835697103226,3.3409107084767418,3.061720152546876,2.905306069810867,2.4765342119698075,2.3397966480516645,1.7387491137447224,1.7093139134205448,1.4029246642085589,1.310656740711738,0.9664559638513419,0.8234217033350283,0.5555740542773123,0.3972417923483554,0,0,1,0,0,3,8,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2886751345948129,0.0,0.0,0.0,0.05892556509887897,0.0,0.0,0.0,0.4082482904638631,0.4330127018922194,0.4082482904638631,0.08333333333333333,0.08838834764831845,0.08333333333333333,10.648418081055103,6.8080604124904465,4.803842328271808,3.1009536313039,1.9834895175441694,1.245099760268685,0.8343056307728542,0.4206304961780412,0.760601291503936,0.5236969548069574,0.36952633294398524,0.25841280260865834,0.18031722886765175,0.1245099760268685,0.09270062564142825,0.06009007088257732,9.680457611606656,5.964690378025045,3.738237133423853,2.2453948993433333,1.3063493528227854,0.7095944793426769,0.37548614871976044,0.18896224753938873,0.6914612579719039,0.4588223367711573,0.28755670257106564,0.18711624161194443,0.11875903207479867,0.0709594479342677,0.04172068319108449,0.026994606791341247,19.93153185426418,37.315367807720335,35.40392156862745,35.919999999999995,22.54313293413176,292.648102994012,0.5245139961648468,0.9819833633610614,0.9316821465428277,0.9452631578947367,0.5932403403718883,7.701265868263474,3.6902000000000026,59.24300000000005,62.63405507671773,97.38140765672927,125.26811015343546,8.947722153816816,62.63405507671773,0.04793517622307425,0.003423941158791018,-4.253067946634606,176.90869617420032,12.636335441014309,7.245887262121835,231,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,9.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.22456498803225,-0.018566232048374598,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.7163639298311923,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.312340977675122,0.0,9.148326933007668,0.0,0.0,0.0,0.0,0.0,0.0,-0.018566232048374598,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.128340498236332,5.096224489795919,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.096224489795919,-0.018566232048374598,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.2397465120307382,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1350015467236787,0.0,0.5988271604938271,0.0,0.0,0.0,0.0,0.0,0.0,-0.018566232048374598,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.128340498236332,5.096224489795919,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.128340498236332,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1773394309514438,0.0,1.2434376854506726,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.128340498236332,5.096224489795919,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,29.666666666666664,2.119047619047619,0.5559027777777779,11.128340498236332,0.06668367346938775,-0.018566232048374598,6.2750427227841685,1.6852328987150413,4.128340498236332,12.073811931414747,1.6852328987150413,4.128340498236332,12.073811931414747,6.66666,0.47619,0.0,0.02381,0.48772,0.80952,0.42727,0.48772,0.80952,0.06045,0.0,-0.06045,0.0,0.58823,0.12606,0.0,0.2,0.075,0.0,8.75,0.625,7.25,0.51786,1.5,0.10714,-5.75,-0.41071,0.0,0.0,14.28398,1.02028,17.90576,3.62178,0.2587,5.75049,0.41075,6.80805,1.05757,0.07554,0.10595,0.00757,0.10595,0.00757,0.0,13.02,2,2,2,2,0,0,0.9166666666666666,1.1674367232867007,1.7823858168196123,3.1014108972515633,3.7474130395316423,3.6696599226268205,3.879506460812007,44.36259548489463,67.73066103914526,117.85361409555941,142.40169550220241,139.44707705981918,147.42124551085627,0.22245671654116503,0.33963613488442534,0.5909782269870719,0.7140748476292624,0.6992588813824646,0.7392454356265208,4.080490790156885,3.4655416966239727,2.146516616192022,1.500514473911943,1.5782675908167647,1.3684210526315783,0.22245671654116503,0.33963613488442534,0.5909782269870719,0.7140748476292624,0.6992588813824646,0.7392454356265208,10.299818506707174,17.88946629331264,22.9493825290708,23.240268752705692,23.52207812125359,25.109002383129305,51.436928914486664,36.30989434145595,27.77125487968202,26.271334043644902,25.595542876060513,22.514099026614822,14.0,11.076923076923077,11.0,14,3,6,2.56,1.8738000000000015,0.08333333333333334,3.827740220679771,0.33806170189140655,0.0,10.390832842801892,3.0437173248525777,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,6.352,13.0,12.0,11.0,10.0,9.0,7.0,6.0,4.0,3.0,102.0,2.70805020110221,2.772588722239781,2.70805020110221,2.6390573296152584,2.5649493574615367,2.4849066497880004,2.1972245773362196,2.0794415416798357,1.6094379124341003,1.3862943611198906,4.7535901911063645,1.1274509803921569,0.5,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.7692307692307693,12.0,0.9230769230769231,0,6.0,12.0,1.0,1.5,0.666666666666667,0.375,0.2400000000000001,0.16666666666666669,0.08163265306122448,0.0625,0.02469135802469135,0.020000000000000004,0.01652892561983471,0.11538461538461539,0.05128205128205131,0.03125,0.021818181818181827,0.01666666666666667,0.009070294784580497,0.008928571428571428,0.004115226337448558,0.005000000000000001,0.005509641873278237,0.2759696940198383,62.63405507671773,97.38140765672927,125.26811015343546,8.947722153816816,62.63405507671773,0.04793517622307425,0.003423941158791018,-4.253067946634606,176.90869617420032,12.636335441014309,7.245887262121835,26.3,231.05226891152236,4.807354922057604,3.970291913552122,4.634728988229636,5.332718793265369,6.018593214496234,6.727431724850855,7.422373700986824,8.137103389639302,8.836809882398365,9.5551350238842,87.63518663130291,3.295836866004329,0.0,4.3694478524670215,0.0,5.58724865840025,0.0,6.874198495453294,0.0,8.20166019080868,8.516593011344206,200.177630008,5.267832368631579,26.649341707753724,1.9035244076966946,5.471401528297735,5.471401528297735,0.0,420.0,12.0,4.689,52.0,1.2398918918918918,2.1351310972810187,2.8628418697657527,3.6334941900566307,4.920304158773296,5.909835075003527,7.165786778425403,8.226747774531296,9.404968821371257,10.508307946030323,88.57272509091887,89.57576454463279,89.98626241688241,127.77755094773315,164.80354811498395,206.1988628196786,216.7810917345725,239.15024496563865,187.03246482028408,175.698476556717,289.3041553433092,330.275398599653,348.9170465621479,481.27764231822005,615.0573725645462,746.9193062936017,905.4375383730562,1075.603785661063,1008.079222395813,1015.4952463997874,9.310174364108112,15.807635490580358,20.862851099754536,26.985813451879135,36.68356327878863,44.47106140118658,54.40959145676192,59.253373999664326,67.03842436470912,73.03805805792223,2.093746279154594,2.619564528336277,2.859075638814349,3.843264955505571,4.918245753899697,5.895871583042916,7.256968948512981,9.090597731731483,9.056238252243896,9.539312970339612,179.05167236094175,333.96324533873445,473.760995153828,592.2272248458811,812.8709531121472,975.83832351508,1189.8782051784635,1319.8938953015438,1555.5256273468012,1754.8896169354548,2.9611779279279276,4.802724865222539,5.519993005165455,7.906777821248734,11.09303350880976,14.538411424952855,17.085913706866368,16.37775314177194,16.47626134972048,14.635418931059494,0.4558086486486485,0.5883104544876786,0.6539488275836611,0.8909670373327411,1.15851496847932,1.4092782294241624,1.7008958215927434,1.9980951963919373,1.9914841765811901,2.0593645643104384,562.8237851731635,593.4547308468713,17.65761044825713,230.5593413644673,-243.10723085660732,-23.10180772322912,332.2644438086962,836.5619617034786,40.759418171486246,0.7093972210240452,0.7480052335329361,0.022256095268015034,0.29060277897595516,-0.30641845373942,-0.029118098117421193,446.5348943704281,470.8369698178387,14.009250184621774,182.9218911041979,-192.87717490092064,-18.328584440126694,0.24795487683341774,0.29931919248766264,2.0508336292858833,2.7618637298715756,742.6786228693165,50.70450366831413,0.9360907713155039,0.06390922868449635,958.4740055061644,30.95923134553189,9.859618544690194,1190.9628714690682,34.51032992408314,10.599842383645031,1691.5701783252387,41.128702609312136,11.915072064202624,3.445596131649173,3.445596131649173,3972.9856760654375,3888.0372416280875,121.65322920507879,1.0218486678902743,32.658283730125376,31.960000297844697,6.224062853086571,7.980979596661652,15.889622691032491,0.9909363880192013,6.706839340034834,9.984132226910805,5.027653474442643,40.003337242325046,13.43594324010406,1.733511175879163,10.981321277213748,12.814979730234551,17.4362128021824,1.1997290610273859,7.900043907825822,10.152320154602196,7.014355835612107,2.348501041239273,2.8047285677008107,17.326273297301245,3.257823394585815,3.0660973791298485,0.7461697280658014,0.8958194603955097,16.405527030787393,5.343079315581629,1.699084352392319,0.15059999386460546,0.4268297185232142,4.891229262267032,7.600567362138338,0.4765536691803491,2.055584975541635,0.0018098467338519126,0.5793660714300283,10.13484472642384,0.42905562735364544,11.07148595726936,0.15815203593559468,1.689193110123286,2.4146416966351008,0.7172007994598042,4.558948224580914,0.04554417210983251,4.8712453931921464,0.7904939033943543,0.750383791134218,0.12403409814842623,0.31353428554424817,5.635692185492051,0.13956203618339372,1.0006345921494721,0.006713773850907914,0.00821543437751978,3.029338915399715,0.29370934773416707,0.882170540846114,0.002491898405418277,0.013925410210156256,1.0655820199003367,0.35452693538169255,0.46391192690300803,0.017519181470933943,1.0361048864652981E-4,1.8228468662327042,9.853779573939619,1.1116054832826725,12.251974887186188,1.033719193082959,1.5166552742364083,3.167832227643634,1.9731574212287315,5.920980223506334,0.18330614034882772,4.754880856142542,1.5195958816113682,1.3619977024377576,0.2418284834914622,0.5431346796642094,7.655880822597847,0.5378454898073874,1.2552862631173562,0.058470416939894715,0.07064505920788314,5.2086332468888825,1.0500646798751423,1.0352747814391905,0.014722424626862834,0.05938003923448189,1.8171129187972686,1.3311543402602606,0.46648325866585705,0.158682514156195,3.6627864656296245E-4,6.335824341773478,10.134668436398337,5.221047595160193,38.44852621460924,12.033643590521963,1.815601138511606,11.579637385896694,12.100763408967822,17.47446720605632,1.094471258575858,7.832509382227026,9.834406184781107,6.863061751786845,2.1337640870218824,3.5228361725222896,16.53729300124593,2.984595406748478,2.881499373145354,0.6658134293611311,0.7994714163779287,15.391695773170893,4.936912088076796,1.6442462246348009,0.13516459026309796,0.3878159725757914,4.6466374220386975,6.979221942192766,0.475776525360894,1.8335834540636702,0.0016751058251584848,2.678959149486801,9.746999908576997,1.5158848484050695,14.29805162063522,2.16985686679016,1.4598050136946228,3.7564339798455393,3.0879163187264536,6.942728731500374,0.3069238508202495,4.912108339633861,2.246737309682595,1.8614190720738484,0.42370649313024994,0.5378077773895714,9.147198428268931,0.8814962518500902,1.4794376485671223,0.12344894305064799,0.14876015885708366,6.868274822730467,1.6507327815653985,1.1444276102000548,0.028463313544329377,0.1021120371270844,2.34173447506497,2.1507644391265694,0.4682511044398081,0.33719517687387374,5.720117909673787E-4,8.099502837303726,10.079720527210739,6.645180379118676,53.54614299259413,19.57331826573987,1.8607157543250123,14.241449132405963,17.711442259668292,22.67799401933938,1.6287743845235017,9.355476669751683,14.233510271923592,9.695204965502032,3.380392397527172,4.096325145835176,20.56582787128941,4.3728391734882335,3.820248198303771,1.0835319672648684,1.300251602866332,20.380639619546773,6.9571249294110595,1.9076062359418393,0.2149811087113355,0.5868763013910057,5.808638067810303,10.1029493061296,0.4794347451650264,2.9879569937845387,0.0023431195452606945,4.32412678063446,10.012933745128581,4.21120688750021,31.497307565967958,5.693346917523838,1.870539781286272,12.206758860961587,8.915706476939558,14.85471642645628,0.5648550203867747,6.490541398313239,9.651012300782718,4.746132825062201,1.1491786655363572,3.8479222746208888,12.401510337256628,1.6238852135354265,2.076566491636009,0.2961569920899179,0.3560067628127645,10.387851378887863,2.74723253220452,1.564909521186708,0.06267288321430625,0.1951470199009931,4.037534528313292,3.7468491681149185,0.736366830959221,0.8212657793564045,0.0011727150472170469,24.417918576156882,0.8426171837472438,0.479208007894737,0.9486465287468937,0.032736036199450494,0.589685489268358,0.576117296002335,0.578933972753212,25.739743767798863,32.68000880346825,68.27943710326957,0.9229697931203407,1.744736758023905,19.34409300009317,0.5306966692801849,0.09163039273968909,0.9688313147733097,0.02657946029529849,0.3701123484287791,0.22774869263725217,0.021167033533059768,19.966420062113045,12.08698050841898,32.99406404615508,0.9532469721599646,0.619028074599091,22.350952526555975,0.5974359104730621,0.24751314967065796,0.9635733469127922,0.02575609782788637,0.49407641796406443,0.28965995745643275,0.1544462810301363,23.195901586699698,19.033289574557923,45.53429901623,0.9453600203691882,0.9381826564506335,23.883037781277075,0.8456037238379626,0.4606323139477691,0.9481431641432555,0.0335699921288729,0.5641322419604207,0.5802936361937895,0.5349210689723304,25.189273819062805,31.586397041696628,66.07841022609995,0.9222147462148832,1.6793469471265405,23.51364129582476,0.6465991397431701,0.3225283926209613,0.9604159341957965,0.026410376386787223,0.5468170583526775,0.33928241640684675,0.2622507906415344,24.482768828188888,22.996263747129444,52.38272207939521,0.9406239012936949,1.1483502654010587,24.547653618993373,0.878755965408855,0.5066810527066418,0.9465764787736864,0.03388550858459585,0.5959683402421427,0.6265910817607888,0.6472174681080768,25.933090637108872,34.454477029255855,71.31738583428196,0.9198647181605296,1.8697768901110083,24.02279302263817,0.8563993939265142,0.46351907096708667,0.9479172358670861,0.03379272949336339,0.5707535858173093,0.5952146157133151,0.5416467187850124,25.342711487531773,32.10508554034687,66.98382372284618,0.9218758538006293,1.707614920315637 +UMLCN0479,L,pentyl acetate,CCCCCOC(=O)C,Esters,,C7H14O2,NREL (2014),IQT,PubChem,,23.6,0,-0.8823,0.77845329,31.061799999999998,23.259101999999984,0,0,23,9,14,0,7,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1536.0097449999985,1467.3118039999997,1694.0728359999985,1290.2958699999979,1089.5666129999984,898.9062680000002,658.269575,471.6351819999999,127.11988800000002,3832.5722882070477,4632.085644161373,5588.243923159747,5236.192301467217,4475.022515862818,3654.7266374932806,2735.992706466611,1994.6690626258153,1120.9630566850935,173.54554000000005,167.45108000000005,302.095048,353.69600799999984,288.5145960000001,265.94048000000015,202.91574800000015,133.768576,111.43007999999999,27.033288667885984,33.55214034000001,43.60337522049004,42.81862082528203,37.22574157188603,30.871890141583982,22.721144958187985,16.773807881094,10.953247247094001,3847.310192574487,3237.7174336756007,6434.654723300291,7920.694246889183,6466.614723630487,6097.165480737385,4623.723082357038,2984.9925317459943,2583.794028511344,95.02777777777777,59.833333333333336,109.25000000000001,106.83333333333334,85.58333333333333,80.33333333333333,65.16666666666666,51.5,39.0,66.78303239130427,66.69599109090908,42.351820899999964,27.45310361702123,27.93760546153842,24.96961855555556,24.380354629629633,26.20195455555555,8.474659200000001,166.6335777481325,210.54934746188061,139.70609807899368,111.40834683972801,114.74416707340559,101.52018437481335,101.33306320246707,110.8149479236564,74.7308704456729,7.545458260869567,7.61141272727273,7.5523762,7.525446978723401,7.397810153846156,7.387235555555559,7.51539807407408,7.431587555555556,7.428672,1.175360376864608,1.5250972881818186,1.0900843805122509,0.9110344856442986,0.954506194150924,0.8575525039328884,0.8415238873402957,0.9318782156163334,0.7302164831396001,167.27435619889073,147.16897425798186,160.86636808250728,168.5254095082805,165.81063393924325,169.3657077982607,171.24900305026065,165.83291843033302,172.25293523408962,4.131642512077295,2.7196969696969697,2.73125,2.273049645390071,2.194444444444444,2.2314814814814814,2.41358024691358,2.861111111111111,2.6,0.2677407909139853,-0.1594575597072656,0.07995934620686315,-0.051920242008484135,-0.012659906484365404,0.016691165652867046,-0.0159165624420329,0.020665538267681135,-0.018134848245548015,799.1117028695654,-15.004761005670908,-5.47784246880903,-145.73860125519826,-109.79601356143664,11.341998638941362,-41.263567629489614,-96.7076101587902,-191.70487569754252,1081.7952715197541,-149.5950004293884,-291.6044175789282,24.756575282861412,-153.9608025996535,17.308911354428666,104.21056719083376,-152.21666546157616,-198.4455115876555,1.9759259130434768,0.013204083175804241,0.789045368620039,-0.6815859962192795,-0.24751889603024624,-0.20074247258979272,-0.41008694139886476,-0.1432501928166353,-0.2814612476370511,4.769103566737999,-1.0663262558759916,-1.6886209159139942,0.6412126266159975,-0.6799503808860003,-0.0794084748160024,0.7886749438879975,-0.6758999949419999,-0.529096576488002,26.677999935111906,-6.490143963855434,-9.469081273794732,4.105018535769318,-3.789420971059156,-0.8090844413142874,4.6602284633077655,-3.724255340617233,-2.357931401051408,38.15700483091788,-0.5583910943079182,14.480571308548626,-9.677116152068894,-5.106805293005673,-3.622558286074355,-6.448802772526779,-2.271424070573408,-8.823408947700061,0.011640903952781969,-0.0072480708957848,0.0019989836551715786,-0.0011046860001805135,-3.246129867786001E-4,4.6364349035741794E-4,-5.895023126678852E-4,0.0011480854593156186,-0.0012089898830365342,34.743987081285454,-0.6820345911668594,-0.13694606172022575,-3.100821303302091,-2.815282399011196,0.31505551774837115,-1.5282802825736894,-5.372645008821678,-12.780325046502835,47.03457702259801,-6.7997727467903815,-7.290110439473205,0.5267356443162002,-3.947712887170603,0.48080309317857406,3.8596506366975465,-8.456481414532009,-13.229700772510366,0.08590982230623811,6.001855989001928E-4,0.019726134215500978,-0.01450182970679318,-0.006346638359749903,-0.005576179794160909,-0.015188405236994992,-0.007958344045368628,-0.018764083175803407,0.20735232898860864,-0.048469375267090525,-0.042215522897849855,0.013642821842893565,-0.017434625150923085,-0.0022057909671111776,0.02921018310696287,-0.037549999719,-0.03527310509920013,1.1599130406570395,-0.2950065438116107,-0.2367270318448683,0.08734081990998549,-0.0971646402835681,-0.02247456781428576,0.17260105419658392,-0.20690307447873516,-0.1571954267367605,1.6590002100399077,-0.025381413377632646,0.36201428271371566,-0.20589608834189135,-0.13094372546168392,-0.10062661905762098,-0.23884454713062145,-0.12619022614296713,-0.5882272631800041,-0.6226381495100851,0.17172065530992178,-0.09489692593129877,-0.027885548072151507,0.03982882190576063,-0.050640595872883616,0.09862511227414145,-0.10385704477422539,-0.019630291410459088,-0.003941575887644471,-0.08924771057643874,-0.08102934163614237,0.009067914888734029,-0.04398689992021337,-0.1546352465608533,-0.36784278720236013,-0.14456965869010358,-0.15499470604297416,0.011198902544890057,-0.08393214390498087,0.010222332667041307,0.08205985640825807,-0.1797928662241195,-0.28127606560922375,0.006986227916532565,0.2296144222622681,-0.16880292983378883,-0.07387558476289688,-0.06490736035146018,-0.17679474627305947,-0.09263602032605711,-0.21841603989024783,-0.23375370560584974,-0.20359319378645155,0.06579536342532745,-0.08408212840416611,-0.010637888553604612,0.1408722209653483,-0.1810927318837248,-0.17011193108488276,-0.2543350522591784,-0.20409032707380623,0.07529945508717686,-0.08376890066562974,-0.01937607995298933,0.1488051674104923,-0.1783780914830768,-0.13552345842039698,-0.015299222522112936,0.21821231879470787,-0.12410853663299926,-0.07892930011053707,-0.06065497668333651,-0.1439689673848058,-0.07606402059462765,-0.35456732290941306,1.6125920094166457,0.8845765558271342,1.1432943157928792,0.8920973726727256,0.8912039618091021,1.2280487301328153,0.934256063952236,0.7677711233828162,1.090358551715793,1.0043470893592985,1.06772892091002,1.0122018788766873,0.9113844724867629,1.0130314491245846,1.0965520354497444,1.2852979303290812,1.5045036235286444,1.2132766319683788,0.8899165442214396,1.0441327038339092,0.8767927454497717,0.7635916493737765,1.1311437624867358,1.0853667254439625,0.7098990861653502,0.7241845408039418,1.3061651324464942,0.9335105532709849,0.9966334085596089,1.3669476377780712,1.0113030993769,1.3085547301808715,1.7141808475202938,1.2931073509805464,0.821975506764277,1.045782533324948,0.8750054301678154,0.6739971928303906,1.132931077768693,0.9369653736959589,1.7470150133538285,1.2989877047105391,0.8169709503983247,1.0423370282010478,0.8787380607187053,0.669329781739176,1.1291984472178014,0.9016890937653596,0.5787491295815661,0.4566476229663859,1.1020164076400176,0.9363024137981406,0.9903040661729018,1.3346415986157707,1.6189202591209297,2.1909476482876493,45.6318864672597,23.065943233629856,37.01489929359206,46.0207753561486,5.113419484016511,23.065943234018068,0.5000000000000142,0.1825184981192085,0.0202798331243565,-1.5308133763849352,36.7792977330296,4.086588637003289,3.244441612747752,45.64652850286174,23.072529830529568,37.02556090560666,46.03427495923749,5.114919439915276,23.07252983091509,0.4985311581973946,0.18228178101169323,0.02025353122352147,-1.531981387698815,36.781176878160984,4.086797430906776,3.2444875947952454,58.69565721421145,28.948834129047686,46.99614112362933,58.07499913723228,6.452777681914697,28.948834129048556,-0.7979889561160824,0.016831780751891345,0.0018701978613212605,-3.676037821365174,46.72106220723763,5.191229134137514,3.459775566475478,45.661895833888394,23.079442717163126,37.03675223785094,46.04844330089561,5.116493700099513,23.07944271754585,0.4969896004378569,0.18203346966570488,0.020225941073967208,-1.5332082385955612,36.783211774234026,4.087023530470447,3.244537385366465,72.62832548265231,35.23186847698699,58.25731474303123,70.94475662701359,7.882750736334844,35.23186847698699,-2.164588528678344,0.08571550790544313,0.009523945322827014,-2.211049362623512,32.458687986300895,3.606520887366766,3.1319713276832934,47.16646419646188,23.75636628410924,38.14017195764615,47.435784041161455,5.270642671240162,23.756366284296977,0.34626837175660086,0.15837407062029085,0.017597118957810094,-1.6585159577223305,37.29418825307369,4.143798694785966,3.256953753240393,45.471190410971516,23.00184522767212,37.82475288206844,46.1237477301955,5.12486085891061,23.00184522818255,1.174603174603174,0.31935243056437695,0.03548360339604188,-1.027313989227031,46.224408573198,5.1360453970219995,3.4501571844019647,0,11.89,15.995918157000016,-0.31586353271145173,0.30159707353482823,3.7020976909959487,6.8172127557017905,8.0,22.0,21.0,21.0,7.0,1.0,1.0,0.0,0.0,1.0,18.178897999999997,3.5120422478148376,3.314728634287862,2.9006265812393774,2.3335504385423667,2.070493520882224,1.668001756855681,1.2322173207757299,0.9468096978640314,1.8577201214959125,1.5987632405321155,1.4836158562169772,1.1015587815788257,0.7558603009123797,0.557278062941838,0.4560774645898833,0.08392307051869098,3.4575169904540948,3.23367094595945,2.9163068738140123,2.338378117655014,1.9889872363126242,1.6787270992137133,1.3095901534912866,0.6037736084448982,1.8097842184207555,1.6076522077808006,1.4091417367529513,1.0174286567255098,0.6924454866515923,0.5469684305703758,0.3884486682517734,0.2709139018929368,3.623797208902936,3.442651426693934,3.119375948232742,2.6384216043823026,2.3624282418053437,2.077815151362706,1.7837855822755864,1.2263634406031956,1.6065187479462903,1.3510907578020122,1.1365269668704197,0.6460450036324294,0.262697799177184,0.0902904116819654,0.14336720812468426,0.9439184268026216,3.468270047589226,3.210111470094293,2.9412764540338245,2.368622793352128,1.9807444548618032,1.7255978276508743,1.3889387613429545,0.4595895016176226,1.7878350157329492,1.6127366381078818,1.3611512492171292,0.9626047600496608,0.6811605783660687,0.49297210481756376,0.2885484492814247,0.3992772455089817,3.666217117478338,3.470177640161237,3.2021940455461864,2.746740126528256,2.440046244507985,2.222861838834286,1.9775913663549312,1.2089363533073971,1.5534234577295831,1.3211837118960286,1.0562437085440866,0.5377000728144973,0.1844209717563731,0.04757278116614434,0.3352754930187572,1.207644822962086,4.918791995117726,3.5002044556532885,3.2227474290682836,2.86236214562618,2.624369538418139,2.0688770216372765,1.6454331847014547,1.4454835001402964,1.7315192428999007,1.3219985268932315,1.1636706514758595,0.7928833246355423,0.387979983977642,0.14819743290540646,0.157979892424922,0.5999999999999986,0,0,1,0,0,3,3,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.4082482904638631,0.0,0.0,0.0,0.08333333333333333,0.0,0.0,0.0,0.2886751345948129,0.20412414523193154,0.14433756729740646,0.05892556509887897,0.041666666666666664,0.029462782549439483,7.112884175122364,4.2700556100296625,3.243182156491986,1.635027805014831,0.9793625530579064,0.5675139025074155,0.3061862178478973,0.20412414523193154,0.7903204639024849,0.5337569512537078,0.40539776956149826,0.2725046341691385,0.19587251061158129,0.14187847562685388,0.10206207261596577,0.10206207261596577,6.144923705673916,3.4040302062452237,2.0471501175130817,1.0532161629029313,0.5679595955473015,0.25472467512209135,0.1228954059492991,0.07186436964131622,0.6827693006304352,0.42550377578065296,0.2558937646891352,0.17553602715048855,0.11359191910946029,0.06368116878052284,0.04096513531643303,0.03593218482065811,12.22239283533483,22.876183539694097,21.776470588235302,22.12,13.550360479041911,177.5068275449102,0.5314083841449926,0.9946166756388738,0.9468030690537088,0.9617391304347827,0.5891461077844309,7.717688154126531,1.7396999999999998,36.15799999999999,26.27222476218092,41.81111967960283,52.544449524361845,5.838272169373537,26.272224762194256,0.06822673905855597,0.007580748784283997,-2.4164268503977295,44.11417305852316,4.901574784280351,3.4081030038301736,87,0.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,14.889675453514739,-0.17490457294028694,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7647268282312927,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.5552706916099774,0.0,3.896625094482237,0.0,0.0,0.0,0.0,0.0,0.0,-0.17490457294028694,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.184675453514739,4.705,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.705,-0.17490457294028694,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25241106859410434,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.436454081632653,0.0,0.5864814814814815,0.0,0.0,0.0,0.0,0.0,0.0,-0.17490457294028694,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.184675453514739,4.705,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.184675453514739,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5559027777777779,0.5125,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.1188166099773245,0.0,1.1679213907785337,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.184675453514739,4.705,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,22.166666666666664,2.462962962962963,0.6254446570294785,10.184675453514739,0.23777777777777787,-0.17490457294028694,3.438711779100529,1.8415712396069537,3.184675453514739,9.016984126984127,1.8415712396069537,3.184675453514739,9.016984126984127,4.16666,0.46296,0.0,0.03704,0.52319,0.87037,0.42414,0.52319,0.87037,0.09905,0.0,-0.09905,0.0,0.53191,0.18238,0.0,0.32,0.12,0.0,6.25,0.69444,4.75,0.52778,1.5,0.16667,-3.25,-0.36111,0.0,0.0,6.98396,0.776,9.8423,2.85833,0.31759,3.15409,0.35045,4.27005,1.11596,0.124,0.14395,0.01599,0.14395,0.01599,0.0,8.02,2,2,2,2,0,0,0.8571428571428571,1.2646726793957221,1.9993073294931032,3.3487989122024966,3.6753108689123635,3.5511911744656968,3.7622673906514943,29.08747162610161,45.98406857834137,77.02237498065742,84.53214998498436,81.67739701271103,86.53214998498437,0.2795745237229117,0.44197633389679714,0.7403013255336277,0.8124816029083346,0.7850431162351342,0.8317046228611611,3.258889276661291,2.52425462656391,1.1747630438545165,0.8482510871446496,0.9723707815913163,0.7612945654055188,0.2795745237229117,0.44197633389679714,0.7403013255336277,0.8124816029083346,0.7850431162351342,0.8317046228611611,11.608038931487028,20.771038612655598,24.40354893961548,23.776774561269768,24.607524927807443,24.82025282213933,32.94327953276238,20.869714238882644,17.354139646246566,17.4748312355195,16.78859037179369,16.158190214968016,9.0,6.125,8.0,9,3,5,2.01,1.1693000000000007,0.14285714285714285,2.5764740294461417,0.8164965809277259,0.0,3.965406456500188,1.208550158942707,0.0,0.0,0.0,0.0,0.0,0.4999999999999999,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.4240000000000001,0.4060000000000001,0.558,0.07999999999999999,3.8569999999999998,8.0,6.0,5.0,4.0,3.0,2.0,0.0,0.0,0.0,45.0,2.302585092994046,2.3978952727983707,2.0794415416798357,1.9459101490553132,1.791759469228055,1.6094379124341003,1.3862943611198906,0.0,0.0,0.0,3.9889840465642745,1.1777777777777778,0.42857142857142855,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.0,0.625,7.0,0.875,0,4.0,7.0,0.75,1.5,0.44444444444444464,0.25,0.16000000000000003,0.11111111111111113,0.08163265306122448,0.0,0.0,0.0,0.0,0.1875,0.05555555555555558,0.041666666666666664,0.03200000000000001,0.027777777777777783,0.027210884353741496,0.0,0.0,0.0,0.0,0.37171088435374156,26.27222476218092,41.81111967960283,52.544449524361845,5.838272169373537,26.272224762194256,0.06822673905855597,0.007580748784283997,-2.4164268503977295,44.11417305852316,4.901574784280351,3.4081030038301736,26.3,144.57234578218896,4.169925001442312,3.4965075614664802,4.110873864173311,4.795790545596741,5.43372200355424,6.124683390894205,6.771935555839602,7.463363045520021,8.11522197256233,8.805824812903607,72.11792275251054,2.833213344056216,0.0,3.8918202981106265,0.0,5.081404364984463,0.0,6.329720905522696,0.0,7.6093665379542115,7.940939762327791,130.099379688,5.656494769043478,16.66375611131339,1.851528456812599,5.239120383784992,5.239120383784992,0.0,114.0,6.0,2.16,32.0,1.2332272727272726,2.115871320102789,2.85785064973949,3.647342364205066,4.837085378983366,5.820711085928064,7.1084445772599985,8.043673871212697,9.163916315691315,0.0,92.90307534131817,98.69457906006292,90.07402790014787,123.20998342138708,137.56284441590765,160.80534958848222,199.3640499463417,70.16651749729316,9.31112546738658,0.0,281.9160909398826,315.3378381172031,345.7634766268648,476.0007003080286,531.607047453999,643.7112127480892,828.5301030539808,621.8867408850821,284.84883274338085,0.0,9.447098998727272,16.088084624356807,21.563700277624232,27.129649436015644,35.89445691865629,43.94453875717931,52.810489572652386,59.62612622194307,61.56744186598472,0.0,1.992608666291818,2.412318874846106,2.7554556880920846,3.836029400273297,4.379254380292012,5.226689996015101,6.8990593920001,6.0684189540442315,4.07439545291266,0.0,179.7781318038599,337.2208986963707,478.29437507792784,592.7890190867256,812.02368573924,986.7240622660998,1169.5209704618155,1375.8761694492093,1694.5698884443443,0.0,3.4477310606060603,6.064504242422371,6.602507175987027,8.147709370781344,11.050816465375181,14.25467967901462,20.408874521535907,20.67465527681166,9.163916315691315,0.0,0.4504673863636364,0.5719001777964572,0.6567248164128537,0.8922065402933911,1.0492428862904222,1.2628737261227068,1.6259455404293373,1.4636213249650931,0.9383850307267907,0.0,391.19059362622534,306.4840051041368,12.757096361408685,195.83818937637423,-153.43230029135793,-22.243522118633145,195.3524042498511,459.91630539549476,35.00061848004183,0.6663908226532274,0.5220936587410562,0.021731636898888122,0.3336091773467723,-0.26137100042448586,-0.03789170610146153,229.64013809846762,179.91493252604403,7.488782751684633,114.96265397504563,-90.06917651332527,-13.057587718992625,0.3297120076117321,0.40311077474907525,1.866419641683259,4.063968566909133,532.5837305875656,54.44505241503403,0.9072531807783724,0.09274681922162735,648.0661597754146,25.45714359026587,8.65379191462369,783.6846649204417,27.994368450108706,9.219636166382772,1064.7786789940492,32.63094664569279,10.211427276920784,2.4355694952036906,2.4355694952036906,1075.9963801552422,1015.7764574168301,80.27855207859989,1.059284621432903,13.403285837813137,12.65314870679648,4.632872691194526,5.327226435006529,9.768140747070719,0.8336259714589638,3.917833805674247,5.2415456883609695,3.6545460081287726,18.925554541664415,7.312361839198109,1.4668621405598152,5.574732093464784,6.995191300483784,4.118195757700416,1.3475734798846661,4.679603102588742,1.9474820357397478,2.612574572543771,0.010463711079357927,3.7178587314118223,0.769637728169381,3.988913948101656,0.8063063424655591,0.009253926560799538,1.095058415794406E-23,2.4993767865522266E-66,1.1002771186361065E-130,9.342182260302801E-217,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3453041632868156,5.392468714640713,0.32796801535458847,6.063458811931168,0.2570153822805437,1.3254654313510676,1.8277692964691525,0.48159527829219273,1.422699515575414,0.035796926454740835,2.1807371970888307,0.20036553235405996,0.3225349945359437,0.009731128590727719,0.21461814889963185,0.7074132388376594,0.24073155174151417,0.005678883341470977,6.517616141765576E-5,7.712585960203697E-26,1.760331506994315E-68,7.749341711026521E-133,6.579775352550969E-219,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0672664945132664,5.111389100613973,0.7758299518791731,6.063515618481538,0.775771464512668,1.3332364014606446,1.8182616963171137,1.2254399574101897,1.6393883152098647,0.16648910129793115,2.3288290992389573,0.4059381780388299,0.6179543028654209,0.005685412993911268,0.5232372832343871,0.7191009885606133,0.839070075050135,0.05917832838488864,6.791858530565612E-4,8.037109214035413E-25,1.834401152560663E-67,8.075411540276079E-132,6.856633220704333E-218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.703230625435652,5.392104872555999,3.934943618588155,18.65410211912406,7.225255343879476,1.4664652080790401,6.25298330808519,6.818571835341189,4.593123728361494,1.2187768510979677,4.644098399334075,2.262215962884647,2.485855158178832,0.012479917653147718,3.902295385924171,0.7654698131398872,3.700463904345512,0.7184044360357786,0.008245081962212599,9.756773335421274E-24,2.226899719181926E-66,9.803271038189444E-131,8.323716201554775E-217,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5653727020140311,5.004591042213471,1.0115161998899012,6.788177422059183,1.2353924934196234,1.3434747048266655,1.8920148540015855,1.801124688795153,1.7190310175768495,0.2969039201791375,2.4925150578051913,0.4721620754231324,0.8530526881227231,0.004336472911143105,0.7181872020281131,0.7274252197124194,1.2993208780838343,0.12854323251571298,0.001475282430153967,1.7457675184685538E-24,3.984564428201601E-67,1.754087295549095E-131,1.4893523584144376E-217,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.731374742521923,5.33703747129949,4.941108371448172,25.118026872800463,10.661265269369247,1.525651098540428,7.288442809504925,9.584610341985009,5.372526109599964,1.8795068681603126,5.843047245023781,2.720690916197382,3.4448583583833967,0.013203878112365333,5.3473382959920155,0.7854767780754509,5.123892210423687,1.1759220165343698,0.013495982190352744,1.597039784123843E-23,3.645106147824835E-66,1.6046507717565622E-130,1.36246948336688E-216,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.465227058242792,5.395997627674499,3.1515765745557274,18.797496921441105,4.531794973576503,1.4240538449141604,7.764987276817205,5.697952184396556,4.55699041122935,0.5467177011557758,3.696002305635913,3.757590195577471,1.7995637182645519,0.03705028049090782,4.804117336593191,1.0571450938654179,2.431709344838389,0.29027029192056925,0.0033314135618878345,3.942210296859862E-24,8.997756431588018E-67,3.9609976270899843E-131,3.3631856137090092E-217,0.0,0.0,0.0,0.0,0.0,0.0,0.0,9.329441316174238,0.7945064956234749,0.43267149130434746,0.8837527477601455,0.07526145187313985,0.5476485597906554,0.5016044124498303,0.5217211651392414,10.55661930310206,11.792645323856354,25.556356268847797,0.8256291216402183,1.5709741373797272,8.135557655714255,0.5518561695816246,0.07705113301942586,0.9282435031011935,0.06296518637547292,0.4259953538925606,0.22091611728653598,0.016545502177315836,8.764464958315305,5.159032763540602,14.2694309333771,0.8923652546517903,0.6634569733564125,8.650884597093832,0.589865844241221,0.22057747947596326,0.9143414824535843,0.06234493182968108,0.4732666967364477,0.27854071024732296,0.13559517439958851,9.461327920811016,7.141162787114209,17.728067001806984,0.8715122236803764,0.8874025813833593,9.236025509270615,0.8068119800604152,0.4106170783151328,0.8835381116838126,0.07718137337656097,0.5375298321986193,0.5208430269726674,0.46988968499829664,10.453454567646162,11.57549661688592,25.08876126114517,0.8253071675257189,1.5282625441695834,8.911291225544854,0.6173736787086117,0.2932309642304809,0.907288302061825,0.06285687478011372,0.5002475869032451,0.3046887902767134,0.23963020066076732,9.821895868483947,8.295696243661787,19.7308306014473,0.8609324530927376,1.0445665778407258,9.399092746259946,0.8274827450742097,0.456503139183375,0.8798112483615237,0.07745732982910031,0.5558010529613546,0.5437193217482291,0.5807770295867991,10.683078630517532,12.44605088177208,26.679622423593386,0.8197168725422856,1.680297404296383,9.31435619634159,0.8192037386157249,0.4139626528735634,0.8830847356599127,0.07766788189303096,0.5468648766208593,0.5374016227691516,0.47757789544583373,10.547522587830878,11.825270772569757,25.531475531952463,0.8246271034898691,1.5618443948358447 +UMLCN0480,L,furfuryl ethyl ether,CCOCC1=CC=CO1,Cyclic Ethers,Aromatics,C7H10O2,NREL (2014),IQT,PubChem,,18.4,0,0.02389999999999942,5.712099999999724E-4,37.147499999999994,20.59192999999999,5,5,19,9,10,0,7,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1531.9454889999988,1611.0474409999995,1913.140885999999,1279.3838979999987,1045.651792999999,772.267488,460.0122259999997,103.96915200000001,6.0963840000000005,3708.2373104833264,4475.86868075512,5573.558290853961,4298.05603593891,3546.3981641848463,2900.591872358094,2302.6083479421077,1135.4791419806606,186.50246658558157,146.671684,149.014436,254.23174400000016,251.88750400000015,194.21231600000013,180.4305360000001,128.10778400000004,103.97030399999998,40.310784,25.254837048489986,30.4373031,38.900636174245015,32.68741055079201,27.718954349943,22.972506852489985,19.206772867697993,12.020644813943003,2.6676774290939997,3107.6395844774906,2778.5705712390004,5088.6686386817955,5305.951216486443,4183.819658558594,4042.3753099894907,2710.2023234459484,2519.403945872943,1109.505912145494,57.77777777777778,58.166666666666664,92.0,82.08333333333333,58.916666666666664,51.5,39.5,23.0,6.0,80.62870994736836,84.79197057894734,59.78565268749997,39.98074681249996,40.21737665384612,32.177811999999996,27.059542705882336,6.931276800000001,1.016064,195.17038476228035,235.57203582921684,174.17369658918628,134.31425112309094,136.39992939172487,120.85799468158724,135.4475498789475,75.69860946537737,31.083744430930263,7.7195623157894735,7.842865052631578,7.944742000000005,7.871484500000005,7.469704461538466,7.517939000000005,7.535752000000002,6.931353599999999,6.718464,1.3292019499205256,1.6019633210526316,1.2156448804451567,1.0214815797122503,1.0661136288439617,0.9571877855204161,1.1298101686881172,0.8013763209295335,0.44461290484899996,163.55997813039426,146.24055638100003,159.0208949588061,165.81097551520133,160.91614071379206,168.43230458289545,159.4236660850558,167.9602630581962,184.917652024249,3.0409356725146197,3.06140350877193,2.875,2.5651041666666665,2.266025641025641,2.1458333333333335,2.323529411764706,1.5333333333333334,1.0,0.2988021488711413,-0.07719847499521626,-0.12259861960367224,0.07186544605972854,0.008208162704845014,-0.04334978647182523,-0.014462277289797673,0.016476032897273556,0.01165844226309366,694.3094876842102,42.84119494736882,-72.34905731024901,-194.70687399445967,-15.423584146814406,61.65419545152341,-339.4882720332409,-19.98110590858748,190.29875915235434,942.6392414474359,-99.95173562196348,-63.21260624629738,-71.55921802251308,-228.12846056644074,260.9516585342444,-374.83754756199494,-147.25976584375107,252.6780546049991,1.882078736842106,-0.026379789473683583,-0.6453260831024908,-0.013718714681439145,0.041544254847644776,-0.3159415623268701,-0.37001655401662037,0.21839236565096773,0.17040671468143945,4.2822765577057895,-1.0752299747368377,-0.49088996986738054,0.6738652154464587,-1.6585754402322892,1.42547298218058,-1.0291680204598106,-0.8705884296894658,0.8839753585058542,24.237756197653123,-6.973214390263118,-3.3454293992918824,5.43651854995351,-10.121444593657618,8.042116144694408,-4.591415160883758,-4.996978141079496,4.430968891701403,11.456140350877199,-0.12573099415204617,-2.5196983687288372,-1.5065404739919979,1.2953985841797477,-0.8481071098799627,-4.15081563558018,0.23638042474607568,1.8910433979686059,0.015726428887954808,-0.004063077631327172,-0.0038312068626147576,0.002245795189366517,3.156985655709621E-4,-0.001806241102992718,-8.507221935175101E-4,0.0010984021931515703,0.00194307371051561,36.542604614958435,2.254799734072043,-2.2609080409452815,-6.084589812326865,-0.5932147748774772,2.568924810480142,-19.96989835489652,-1.3320737272391654,31.716459858725724,49.612591655128206,-5.260617664313867,-1.9753939451967932,-2.2362255632035337,-8.774171560247721,10.872985772260185,-22.04926750364676,-9.817317722916737,42.11300910083318,0.09905677562326873,-0.001388409972299136,-0.02016644009695284,-4.2870983379497327E-4,0.0015978559556786452,-0.013164231763619588,-0.021765679648036492,0.014559491043397849,0.02840111911357324,0.22538297672135735,-0.056591051301938824,-0.015340311558355642,0.021058287982701835,-0.06379136308585728,0.0593947075908575,-0.06053929532116533,-0.058039228645964384,0.14732922641764237,1.2756713788238485,-0.36701128369805885,-0.10454466872787133,0.16989120468604718,-0.389286330525293,0.3350881726956003,-0.27008324475786816,-0.3331318760719664,0.7384948152835672,0.6029547553093263,-0.006617420744844535,-0.07874057402277616,-0.04707938981224993,0.049823022468451834,-0.03533779624499845,-0.24416562562236355,0.01575869498307171,0.31517389966143433,-0.2583598387323117,-0.24361581958057604,0.14280388798798546,0.020074396280312694,-0.11485386261951401,-0.05409506503851587,0.06984434934194494,0.12355466866377081,0.061703312006092144,-0.06187046776681584,-0.16650673580711825,-0.01623351102440709,0.07029944464956317,-0.5464826211846431,-0.03645262129711168,0.867931013481804,-0.10603392180924504,-0.03981638288377153,-0.04507375020333948,-0.17685372337005859,0.2191577865522834,-0.44442885904686735,-0.1978795583016468,0.8488371136418988,-0.014016304927787234,-0.20358466112050272,-0.004327920337579291,0.01613070832989343,-0.1328958234385258,-0.21972933715120513,0.1469812736361447,0.28671556221038286,-0.2510884012855273,-0.06806331064355842,0.09343335636540268,-0.28303540938996036,0.2635279223607363,-0.26860633487865637,-0.2575138082310392,0.6536839142016773,-0.28770049229797584,-0.08195266466216407,0.13317787598455375,-0.30516192256677394,0.2626759354000299,-0.2117185109278545,-0.26114239262709604,0.5789067839434081,-0.010974987238386871,-0.13059118172536988,-0.0780811319550791,0.08263144461459924,-0.05860770801429296,-0.4049485031378554,0.026135783563042348,0.5227156712608472,1.1986718311615352,1.5750180041855728,1.1959719624123089,0.80843557560252,1.015968406454862,0.7172555139485036,0.09650251347205747,0.08501801950184204,0.8693597700062696,1.0758741923183976,1.1831299548453251,0.9204887381885387,0.8864313489403531,1.4372004973290142,0.8369709092385424,0.0,1.200527342936211,0.9819198457269636,0.9234321893079235,1.1433139283012002,0.683852098524687,1.4049753477803066,1.146368130027108,0.0,0.889697774263932,1.5012520835025187,1.341970822239776,0.7190473309200478,1.0915064071372809,1.0184679863036357,0.06048461085693145,0.0,1.4466167832180516,1.0466143330045536,0.7849834480561857,1.2417785426824954,0.6011779028029377,1.2510081769398615,1.128100089328023,0.0,1.5029739433801828,1.0837923058712597,0.762342948883519,1.253170141001463,0.5935264585471063,1.1941323807032218,1.0826571853666898,0.0,0.8683001531393564,1.323662423430321,1.299112270290964,0.7025120744492869,1.0256508422664619,1.2592784433834783,0.41898928024502274,0.0,34.364796732862885,17.432398366431435,27.753976560142657,34.753685621751764,3.861520624639085,17.432398489206896,0.49999999999998224,0.2759250901569896,0.030658343350776624,-1.1588632763208244,39.95200780518009,4.439111978353343,3.3189110360112037,34.38086534548011,17.439698251838745,27.76634385808354,34.76861180185584,3.8631790890950937,17.439698373673,0.49853115819738036,0.27602542492872423,0.030669491658747137,-1.1585360683806643,39.9744539724949,4.441605996943878,3.319416539461878,48.74335081032025,23.972680927102097,38.93662837704121,48.12269273334109,5.346965859260122,23.97268092724535,-0.797988956116054,0.3311021872873874,0.03678913192082082,-0.9947954054948125,47.130108620140525,5.23667873557117,3.467620841062611,34.39773010767068,17.44735985405427,27.779324414805753,34.7842775746779,3.864919730519767,17.447359974908494,0.4969896004378569,0.2761305822150397,0.03068117580167108,-1.1581932610667756,39.998081824761016,4.4442313138623355,3.319948348724802,64.28281962340775,30.971771251176772,50.99650252556369,63.08027044080866,7.008918937867628,30.9717712511769,-2.164588528678326,0.3564969297567303,0.039610769972970035,-0.9282866862131606,38.41150532064973,4.267945035627748,3.283521329198257,36.04978145684149,18.198024914299047,29.05319885431838,36.319101301541075,4.03545570017123,18.198024969196204,0.3462683717566044,0.28574087355174144,0.031748985950193494,-1.1274029238544625,42.727511469107974,4.74750127434533,3.3793587085184917,33.81818729522902,17.218395443085775,27.879324943691337,34.28959067139431,3.8099545190438118,17.218395613391984,0.8485260770975032,0.2801595825684256,0.031128842507602845,-1.145156310379208,33.711341640085166,3.7457046266761296,3.166050895130297,0,11.993876624862688,16.000726048235922,-0.37449664232166224,0.1002684856222282,4.743931438820681,7.09232092306159,9.0,19.0,17.0,14.0,4.0,2.0,0.0,0.0,0.0,5.0,14.764069999999998,3.7994845132552992,3.2288459860791416,2.6966969897691957,2.183220558933643,2.0095561083412736,1.6187676768279302,0.7378794557598829,0.6183161168816436,1.7033784425753993,1.585805378409971,1.438115063538027,0.9505858862097337,0.7992285986098502,0.2783043003599338,0.030246633849075204,0.08392307051869108,3.709178332076301,3.1634412602179345,2.709007898316074,2.091287882409962,1.9197485114451789,1.6351922902618885,0.7370868528355169,0.4981184830450185,1.7097691734646359,1.5295091057833572,1.4794677393451925,0.9508588075669241,0.678154705661491,0.12118156869581972,0.060961210100875726,0.2709139018929365,3.849493699980189,3.3863304108883865,2.90919384733794,2.350470341296155,2.274508200997443,1.9826137938505957,1.2938480850148855,1.135328361138091,1.5116887597360629,1.3427814434935716,1.2282333936586505,0.5841916888799676,0.23024997788048543,0.436473727291334,0.6037209211268423,0.9439184268026218,3.6883476249679528,3.1655308663201005,2.7274665598689714,2.09511711638023,1.9266265719333455,1.6433109364444778,0.8204834849253168,0.4399823889245019,1.7211928086410346,1.5058755817382412,1.4838239116612757,0.9411418550552857,0.5954550942920134,0.01748067447933673,0.11424689107234241,0.3992772455089817,3.850495742031524,3.437518106111729,2.9858054244818115,2.4258321053910525,2.3770632343324185,2.0774208993316456,1.4989056605188813,1.2085154085105931,1.4879929005413437,1.3048299949081408,1.1870091289386897,0.517837113880533,0.07963604595738868,0.6316411627799202,0.7487485248994802,1.2076448229620877,3.983303264867504,3.4120914978498806,2.825014248866534,2.497136857242802,2.248469998289094,1.8264828463832634,1.1958439712588216,1.0209349026168704,1.5674506652208862,1.4131395547043117,1.2301312933328137,0.6655261486704788,0.49199428591303773,0.13976799091221065,0.40340689587032713,0.5526315789473679,0,0,1,3,0,3,0,0,0,0.0,0.0,0.14433756729740646,0.10206207261596577,0.07216878364870323,0.0,0.0,0.039283710065919304,0.027777777777777776,0.011340230290662862,0.20412414523193154,0.0,0.0,0.0,0.08333333333333333,0.0,0.0,0.0,0.4330127018922194,0.6123724356957946,0.39073720721077865,0.13024573573692622,0.14667330461548703,0.0745144995753379,6.52709773749546,4.431851652578137,3.2927109793486995,2.4406706976806576,1.791837385503403,0.9010475702906074,0.49279927982674443,0.24639963991337224,0.72523308194394,0.49242796139757083,0.32927109793486997,0.22187915433460523,0.1493197821252836,0.11263094628632593,0.0821332133044574,0.06159990997834306,5.462760950869699,3.033178647858374,1.716500339933501,1.0285461900399087,0.5973599721920113,0.2616443722200616,0.11428815659139727,0.049568251399338153,0.6069734389855221,0.3370198497620416,0.1716500339933501,0.09350419909453715,0.04977999768266761,0.0327055465275077,0.01904802609856621,0.012392062849834538,11.13873722776308,19.10050983248361,18.325490196078437,18.600000000000005,11.953251497005985,144.93570658682637,0.5862493277770042,1.005289991183348,0.9644994840041283,0.9789473684210529,0.6291184998424203,7.628195083517177,1.4574,35.711,34.484946128795166,51.837294267610396,68.96989225759032,7.663321361954481,34.484946128795166,0.14713664663089276,0.016348516292321418,-1.7247541995606506,45.42740456760696,5.047489396400774,3.434503992998641,86,0.0,0.0,2.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,2.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,2.0,0.0,0.0,3.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.094675925925927,6.2871296296296295,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.7109764739229025,0.0,0.8955513038548752,0.0,0.0,1.7109764739229025,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.96125,0.0,1.323611111111111,0.0,0.0,5.401157407407407,0.0,0.0,0.0,0.0,0.8859722222222224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.08412037037037,5.010555555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.010555555555555,0.8859722222222224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5354861111111111,0.0,0.3660374149659864,0.0,0.0,0.5354861111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.96125,0.0,0.5868055555555555,0.0,0.0,1.647175925925926,0.0,0.0,0.0,0.0,0.8859722222222224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.08412037037037,5.010555555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.08412037037037,1.8984722222222221,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6398285147392291,0.0,0.5295138888888888,0.0,0.0,0.6398285147392291,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.96125,0.0,0.7368055555555557,0.0,0.0,1.8984722222222221,0.0,0.0,0.0,0.0,0.8859722222222224,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.08412037037037,5.010555555555555,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.666666666666664,2.185185185185185,0.6826388888888889,5.08412037037037,0.19868055555555542,0.5868055555555555,3.2773810648148145,0.9131944444444445,1.5841203703703703,6.1893518518518515,0.9131944444444445,1.5841203703703703,6.1893518518518515,4.16666,0.46296,0.0,0.03704,0.57018,0.87037,0.43333,0.52319,0.87037,0.13684,0.04699,-0.08986,0.0,0.53191,0.18238,0.0,0.12,0.12,0.0,10.5,1.16667,5.5,0.61111,5.0,0.55556,-0.5,-0.05556,0.0,0.0,4.51615,0.50179,9.2991,4.78295,0.53144,2.16928,0.24103,4.43185,2.26256,0.2514,-0.01785,-0.00198,0.06815,0.00757,0.2631578947368421,9.02,1,2,2,2,0,0,0.42857142857142855,1.359992492218488,2.8581184630979704,3.6818808028034042,3.7871439606981414,3.7871439606981414,3.7871439606981414,25.839857352151274,54.30425079886144,69.95573525326468,71.95573525326469,71.95573525326469,71.95573525326469,0.3201543547799405,0.6728265616710194,0.8667475589334351,0.891527444550976,0.891527444550976,0.891527444550976,2.887935021225097,1.3898090503456149,0.566046710640181,0.4607835527454438,0.4607835527454438,0.4607835527454438,0.30725511635374825,0.6457179182654498,0.8318257056115043,0.8556071926504154,0.8556071926504154,0.8556071926504154,12.328484113250768,25.627932164830952,27.615211520468133,27.721298365941816,27.721298365941816,27.72129836594182,32.634840218594505,19.36366673860347,16.503659924684023,16.267035975900484,16.267035975900487,16.267035975900487,7.111111111111111,3.92,2.3801652892561984,4,5,2,2.01,1.0177000000000007,0.0,1.4206635973397097,0.25,0.0,4.114023331641588,3.041821709466029,0.0,0.0,0.0,0.0,0.0,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.369,0.386,0.6380000000000001,0.41700000000000004,3.897,10.0,11.0,12.0,8.0,6.0,4.0,2.0,0.0,0.0,71.0,2.5257286443082556,2.9041650800285006,3.3096301881366648,3.727198318416073,3.2337644373619514,3.107944264160919,2.883403088580071,2.409194828052304,0.0,0.0,5.184238399850329,2.499119718309859,0.5,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.3333333333333333,4.0,0.4444444444444444,0,3.0,6.0,1.0,1.0,0.44444444444444464,0.2222222222222222,0.125,0.08000000000000002,0.05555555555555554,0.0,0.0,0.0,0.0,0.1111111111111111,0.04444444444444447,0.037037037037037035,0.025,0.020000000000000004,0.02777777777777777,0.0,0.0,0.0,0.0,0.26537037037037037,22.78262294485209,35.72395513004864,45.56524588970417,5.062805098856019,22.782622945326956,0.17164327252514577,0.019071474725016198,-1.5861032575429974,41.71026418036488,4.63447379781832,3.3576725177374156,22.37,118.67942838058899,4.169925001442312,3.6635616461296463,4.394449154672439,5.153291594497779,5.910796644040527,6.680854678790215,7.44716835960004,8.220672170297252,8.990566138131577,9.765316843477462,78.22667722963693,2.9444389791664403,0.0,4.07753744390572,2.3978952727983707,5.37989735354046,4.442651256490317,6.7650389767805414,6.259581464064923,8.19946419761216,8.598220030058611,126.06807956,6.635162082105263,17.59254001617014,1.9547266684633489,5.857394159631838,5.857394159631838,0.0,99.0,6.0,0.8500000000000001,38.0,1.3275569609840037,2.2696260132086583,3.068698794424794,3.906906410086341,4.967950265341673,5.998705737265241,7.080490735708039,8.275545225350957,0.0,0.0,130.39318321522742,147.74289878322872,135.6739094821453,181.33369693537523,177.90631797469834,180.4579557264426,51.796425161625955,8.408483583850996,0.0,0.0,341.49977198409755,418.3537343546717,445.4727133005832,586.7179677164378,646.4543448906851,867.8032399408576,556.4954767853526,257.23493281141435,0.0,0.0,10.598494343987596,18.18480365540443,24.27493183231684,29.497580614485177,37.53870541591555,45.126083660735134,49.17526328036018,55.5989526768923,0.0,0.0,2.23878073345452,2.868224699782343,3.320635254330605,4.457124864275676,5.0133335887803785,7.14597574681588,5.838163511475465,3.6794142018525613,0.0,0.0,192.59002835243479,357.8405789926715,504.64053901074783,618.4872013715244,830.7270056670303,945.158368728359,1181.4447408995902,1530.2943922923832,0.0,0.0,4.439614928343077,6.832058888504617,8.102724515350701,9.478192187871022,11.017701517309296,14.1750204188319,11.101958313700793,8.275545225350957,0.0,0.0,0.5308181138514436,0.7121973073685474,0.8091678177349376,1.0653877526983004,1.183009116189808,1.5989253960129992,1.278396190068306,0.8474158310759381,0.0,0.0,302.1121738303197,242.5095551630448,15.645918655816038,89.37165147270247,-71.73984142394934,-15.473304446674344,212.74052235761724,314.2493965869942,31.11922310249038,0.7717104879019573,0.6194625154061832,0.03996568349587765,0.22828951209804318,-0.18325109950179994,-0.03952476053052121,118.27202948170509,94.93856832776302,6.125124085758778,34.987555992182024,-28.084987547279884,-6.057548414862333,0.11696506528051774,0.46619187924889594,0.24277397568136622,5.084943710431275,350.4173024719163,41.066522831105814,0.8951003332019687,0.10489966679803159,651.3210040011594,25.520991438444536,8.668255314959412,748.8283016998524,27.36472732734336,9.08086912678058,1078.593524110596,32.841947629679275,10.255399967618919,2.6104410090265593,2.6104410090265593,789.1043129165043,732.630725862952,106.84876030123758,1.0770832904762944,7.385245375723508,6.856707778335041,4.438969579226813,5.074838783031655,9.044598834757096,0.7822435788499961,3.034013525235766,3.52535345325813,6.407946540592332,8.752960156587113,6.002118958035426,4.460508977087601,2.7972415313442296,6.789301770420796,2.4691324542098285,3.320224042603559,2.5254000783821486,3.5841401145205363,1.6742610033506296,1.9614675480044808,2.1052261600409548,0.9724463233015807,0.8294227353159281,9.843671874946578E-10,2.2802043474208624E-40,1.0187469344218568E-92,8.77879212215758E-167,1.459080053555097E-262,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.25465403497937644,3.9589944190771185,1.5309500857479457,4.926308142066703,3.304844324383578,1.1355328971274297,1.0809311901476428,1.4939474778661217,0.47477333719465054,0.5439461186586458,0.528568577329868,0.18112727097770215,0.7909724026653717,0.08896220040034684,0.07888294748019173,0.007120798756267295,0.0058416921428166005,6.932978588588718E-12,1.6059665660443953E-42,7.175117957266794E-95,6.182975071679756E-169,1.0276420119285283E-264,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.8219804449770599,3.152611392299776,2.067270617217395,4.71370310034228,1.8316076674013935,1.4999721590044999,1.3453796416161272,2.243368800326485,0.5891976902100622,1.0007053275300022,0.770745441238584,0.6635486358262457,0.8659553467103791,0.3368828578753684,0.31908308741935937,0.07207031310106427,0.06087493609646532,7.224698224768308E-11,1.6735409824913414E-41,7.477026115974317E-94,6.443136734574065E-168,1.0708822080451117E-263,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.8638631942319326,3.9573390192189426,7.15674071437859,9.029188010460963,7.073674394196047,4.651099620110087,2.8447696722253584,6.429419058180243,2.4212451552682226,3.3479294701433684,2.904459731487607,3.30073861651595,1.5829297178152992,1.799324068685528,1.919824731897495,0.8666193030810713,0.7390007246190569,8.770534419612808E-10,2.0316210217961952E-40,9.076851775161814E-93,7.821745731485658E-167,1.3000140591078902E-262,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.2114322797452821,2.846178763819008,2.288691239042136,4.902031342531248,1.6186564521489888,1.7225492102417064,1.5063268512049435,2.8538598656653473,0.7512946410430262,1.2869325494651658,0.8441703225772068,1.0577241644782784,0.9486990174940553,0.5469483557133238,0.5354648549628416,0.1558775630851817,0.13222849571394388,1.569300995625659E-10,3.6351546436089786E-41,1.6241099853681217E-93,1.3995353962128432E-167,2.326099254252093E-263,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.6640039176227517,3.7989768748550223,8.49011918726798,10.2275715508941,8.261528623592165,5.8453520299991535,3.3788350322804277,8.4845531393715,3.254990746590607,4.198530925360285,3.405278393203431,4.718686343808195,2.0547221595142973,2.6157559569254487,2.8613426847253716,1.4173351002254095,1.2096351090050443,1.435607030584399E-9,3.3254637435222984E-40,1.4857466604150275E-92,1.2803043265475315E-166,2.1279311314717367E-262,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.6828458476500359,4.1457833950264655,5.9320430597062455,7.611041398195409,8.136958106808665,3.2406591912734104,2.128064566858969,3.8168132422020733,1.593520445245619,2.3491481153412748,2.3662196823360255,1.6466413899759857,1.256526386559006,0.8972690197937032,0.8973972969377645,0.298066354131797,0.25330708190742673,3.0062737512821606E-10,6.96378197515651E-41,3.111270069806362E-93,2.6810577048971546E-167,4.456054734195274E-263,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.643445987244623,1.0211844470787754,0.5486111222152984,0.8296152814771279,0.11083877925180789,0.5746011168766142,0.4805105994161167,0.35115651446303603,9.213241556538696,12.558880790415873,26.054234134853296,0.7444229222156918,1.4062682307557668,5.863782851953137,0.688224720128021,0.2070078197943416,0.8675498592593155,0.10182322131641894,0.33795615750840435,0.2168147648152117,0.0473040331813692,6.7590153918755,5.391917114949474,12.986333329010087,0.8013247888889732,0.6020749555049852,6.869346987331739,0.7554720742008654,0.3411531160807065,0.8623363017305777,0.09483739804213236,0.46358841727932554,0.2652358658580916,0.13117699810248795,7.965972177613311,7.790830599318391,17.52725092568752,0.7935044525958665,0.8600012812399052,7.393880344793021,1.0164372670329114,0.5244691082661017,0.8275385385715014,0.11376178289149372,0.5372244973106364,0.47807359557277007,0.3185080998330574,8.934786720092035,11.926367308538815,24.80275731012457,0.7413078078572521,1.3338061927164637,7.324682859311144,0.8083671602852466,0.4096986069456475,0.8574152394644501,0.09462612042377981,0.5275937943097978,0.30176094775982093,0.19220357556846618,8.54274862654204,9.253132346219282,20.221719978533784,0.7861228591966752,1.021558317638085,7.688736212178785,1.0625787416837411,0.5741377072692689,0.824489329534126,0.11394393176349897,0.5814302262287542,0.5201009258171085,0.3856964755568525,9.325452661131795,13.194347552677046,27.21044077752602,0.7367339943011891,1.487227627602715,7.544162864319502,1.0138466592167648,0.5331267372525834,0.8298371785338178,0.11152034576685488,0.5595397289035068,0.4745064248198281,0.3303648357737812,9.09113626078885,12.211128011236932,25.379950398393518,0.7447557678007267,1.3644109894971161 +UMLCN0481,L,ethyl tetrahydrofurfuryl ether,CCOCC1CCCO1,Cyclic Ethers,Ethers,C7H14O2,NREL (2014),IQT,PubChem,,78.9,0,-0.5586999999999998,0.3121456899999997,31.874200000000002,23.259101999999984,0,0,23,9,14,0,7,0,2,0,0,0.0,0.0,0.0,0.0,0.0,1536.0097449999985,1659.4757929999994,2033.1926779999985,1422.6751299999976,1107.2446249999982,834.832032,501.4138099999998,135.29577600000002,12.192768000000001,3832.572288207048,4934.815146237194,6633.993099991315,5658.090686718242,4252.37534380024,3480.5948329356474,2802.2369192083156,1582.5385857382093,373.00493317116315,173.54554000000005,177.48496400000005,343.15289599999994,397.30907199999984,285.5025560000002,253.9189200000002,183.0530000000001,165.23481600000005,80.62156799999998,27.03328866788598,34.89148034000001,49.09882103079203,46.53265372728206,35.59587140958403,28.936808873583985,24.77047032194299,17.360023767886,5.335354858188001,3847.310192574487,3391.0607620906007,7085.647982137143,8782.538400807684,6492.630446611685,5828.4948709530845,4094.1582267058934,4120.0726054684865,2219.011824290988,55.52777777777778,54.25,99.5,106.33333333333334,68.33333333333334,63.50000000000001,44.0,31.0,12.0,66.78303239130427,72.15112143478258,46.208924499999966,27.35913711538457,28.390887820512773,24.553883294117647,20.05655239999999,5.6373240000000004,1.016064,166.63357774813252,214.55718027118238,150.77257045434806,108.80943628304311,109.0352652256472,102.37043626281316,112.08947676833263,65.93910773909205,31.083744430930263,7.545458260869567,7.716737565217393,7.798929454545453,7.640559076923074,7.320578358974364,7.468203529411771,7.322120000000004,6.8847840000000025,6.718463999999998,1.175360376864608,1.5170208843478263,1.1158822961543644,0.894858725524655,0.9127146515277956,0.8510826139289407,0.9908188128777197,0.7233343236619166,0.4446129048490001,167.27435619889073,147.43742443872176,161.03745413948053,168.8949692463016,166.477703759274,171.42631973391426,163.76632906823573,171.66969189452027,184.917652024249,2.4142512077294684,2.358695652173913,2.2613636363636362,2.044871794871795,1.7521367521367524,1.8676470588235297,1.76,1.2916666666666667,1.0,0.3317614667979629,-0.07327437102273504,-0.14797953544270853,0.07216779129822512,0.013858636570940941,-0.0493829877519392,-0.012246480219959522,0.018038988341609195,0.01293722482758566,799.1117028695654,50.653148521739304,-194.95561209829847,-289.3415074442339,55.01594965595453,7.999382888468716,-296.21585237996203,7.56141048393178,259.72722893761795,1081.7952715197541,-113.19992557586787,-247.00551275098692,-192.9498868038476,-112.61854652984208,240.23140688015394,-345.5943975623354,-114.62571750941832,344.8649440922672,1.9759259130434768,0.026845217391305812,-0.7140234858223018,-0.10680815122873111,0.061601451795839694,-0.4628678714555753,-0.27604868809073796,0.2507607863894102,0.23257778449905223,4.769103566737999,-1.1911147359999914,-1.195686394107995,0.2617442835859973,-1.1897646073519985,1.5017165455959962,-1.0099210676169992,-0.7680101342060028,1.2064843267319951,26.677999935111906,-7.677962029608734,-6.988361699760288,3.393107973266736,-7.656240152794714,8.68923421921718,-4.642894378312558,-4.503444466309196,6.047560566745626,11.468599033816421,-0.42028985507246497,-3.522054190296158,-1.2019533711405188,0.4844045368620046,-1.4704893929846685,-2.2255303507666455,0.8516068052930074,1.7700063011972285,0.014424411599911431,-0.0031858422183797842,-0.0033631712600615577,0.001387842140350483,3.5534965566515236E-4,-0.0014524408162335059,-4.898592087983809E-4,7.516245142337165E-4,0.0010781020689654716,34.743987081285454,2.2023108052930134,-4.43080936587042,-5.56425975854296,1.4106653757937058,0.23527596730790343,-11.84863409519848,0.31505877016382416,21.643935744801496,47.03457702259801,-4.921735894602951,-5.613761653431521,-3.7105747462278384,-2.8876550392267197,7.065629614122175,-13.823775902493416,-4.77607156289243,28.738745341022266,0.08590982230623811,0.0011671833648393831,-0.016227806495961405,-0.002054002908244829,0.0015795244050215305,-0.01361376092516398,-0.011041947523629518,0.010448366099558758,0.019381482041587687,0.20735232898860864,-0.05178759721739093,-0.0271746907751817,0.005033543915115332,-0.0305067848038974,0.04416813369399989,-0.04039684270467997,-0.032000422258583454,0.10054036056099959,1.1599130406570395,-0.33382443606994494,-0.1588264022672793,0.06525207640897569,-0.19631385007165933,0.2555657123299171,-0.18571577513250234,-0.18764351942954982,0.5039633805621355,0.49863474060071394,-0.01827347195967239,-0.0800466861430945,-0.02311448790654844,0.01242062915030781,-0.04324968802896084,-0.08902121403066582,0.03548361688720864,0.14750052509976905,-0.2208646221936253,-0.23315829812303804,0.09621481824319299,0.02463529643506112,-0.100693245348214,-0.03396042919361707,0.05210781105541467,0.07474149371694935,0.06338681856347077,-0.12752737201704284,-0.1601502943667654,0.04060171253498849,0.006771703165715048,-0.341026896754191,0.009068008499621158,0.6229548639355733,-0.10464080270644886,-0.11935393084824297,-0.07889036069028692,-0.06139430227764844,0.15022202943862886,-0.2939066698920607,-0.10154383998388551,0.6110131558579678,0.013586145722415621,-0.18889349390242036,-0.02390882501098693,0.018385841835303594,-0.1584657092717028,-0.12852951184404598,0.12162015726576678,0.22560263217050505,-0.24975652537877208,-0.13105563321970018,0.02427531892054061,-0.1471253539938457,0.21301006798156757,-0.19482222795240106,-0.15432873319856208,0.48487692928938836,-0.2878012612745936,-0.13692957721840177,0.05625600723655393,-0.1692487653733561,0.22033178641146273,-0.16011180892259178,-0.1617737820442626,0.43448376119356547,-0.03664700926705993,-0.1605317071302751,-0.04635555051519678,0.024909273540276118,-0.08673621091233473,-0.1785299073294019,0.07116154170176935,0.2958087615838251,1.1816489292386394,1.644542598872317,1.2255737339494301,0.7563863197869584,1.2105896922151933,0.6996335762600884,0.05782773497003116,0.016212088247337008,1.0524701393862914,1.2366498462622346,1.1759770279088013,0.859175674556528,0.9444656091571285,1.2378010168641622,0.6943783611111805,0.0,1.4543201554183094,1.163296600958106,0.9623134965869942,1.0096007350103708,0.6986661472640913,1.2921845981995257,0.9538163138886138,0.0,0.8785904136169866,1.5774670393380368,1.3414131094593338,0.7292121221214153,1.2740686074575487,0.8221004589680975,0.055011340564843074,0.0,1.715206999769206,1.2065762265369195,0.8450651803312964,1.0881787365535962,0.6047476543086013,1.2121518561717883,0.9672211785032928,0.0,1.7707146735688521,1.233872083312358,0.8243899024919928,1.1011008788321563,0.5978295910968436,1.1721736302369383,0.9392264493716109,0.0,0.9429233361415337,1.4919966301600682,1.3044723284297846,0.7418994232389348,1.1942241934684574,0.920775063184499,0.21980307497893856,0.0,39.44694072522543,19.97347036261273,31.076868496684327,39.835829614114346,4.426203290457149,19.973470371497033,0.5000000000000284,0.13908530666806676,0.01545392296311853,-1.77540103535605,38.25067618347126,4.250075131496807,3.279745114303986,39.46475700770358,19.98164408295049,31.090311572952416,39.852503464079334,4.428055940453259,19.981644091758632,0.498531158197391,0.13920807497624094,0.015467563886248993,-1.774606970589784,38.25838018465232,4.250931131628035,3.279926363463641,55.497805890604965,27.34990846724444,43.34349123518601,54.87714781362578,6.097460868180644,27.349908467248945,-0.797988956116086,0.2004984885415031,0.022277609837944787,-1.4462537136392664,53.29684269091524,5.921871410101693,3.578289383564145,39.483456417097116,19.990223008767494,31.104421707767727,39.87000388410435,4.43000043156715,19.990223017496408,0.4969896004378711,0.13933670809042756,0.015481856454491951,-1.7737757232067015,38.266480612004784,4.251831179111643,3.2801168998349213,73.1590932080093,35.31408869744827,56.691447230321444,71.95654402541024,7.995171558378917,35.31408869744827,-2.164588528678294,0.22346445639616241,0.024829384044018046,-1.3486526184239254,61.01877924246665,6.779864360274072,3.7000635059062104,41.31707294576472,20.83167065876065,32.49127705132159,41.58639279046429,4.620710310051588,20.83167066236907,0.34626837175657954,0.15093177063686425,0.01677019673742936,-1.701834654932295,39.13259013597875,4.348065570664306,3.3002600644179316,35.1486527131339,17.978778537380688,28.143934644900465,35.73035878803928,3.9700398653376983,17.97877861736532,1.0223922902494103,0.004273806130817764,4.748673478686405E-4,-4.9097254349167665,36.44795919038113,4.049773243375681,3.236296920837528,0,11.996802868923993,15.997784949006983,-0.39756756368889135,0.08180133322039503,4.750806937554874,7.368319778234626,9.0,23.0,23.0,23.0,9.0,0.0,0.0,0.0,0.0,0.0,19.136897999999995,3.6209904874434966,3.221527697300846,2.7609270772573935,2.3395072231177094,2.113838401215039,1.676759986205826,1.121216331800684,0.7416040502657627,1.765224223088303,1.656459685517009,1.518660079696202,1.074089842906677,0.8256033262551037,0.6236521620472022,0.4542166069433401,0.0839230705186907,3.5639944047543963,3.163828743851827,2.791558858928855,2.3106319078554187,2.0044352537019865,1.726353963127733,1.212680422876704,0.49983808939734875,1.7404531078864662,1.612122859012693,1.49829728938497,1.025400682391535,0.7052065837571264,0.48085434475671196,0.3386313320222266,0.27091390189293685,3.730548393584045,3.3865093911199535,2.990618624621037,2.598590271753008,2.374250492604089,2.1110195971579215,1.6941590370964308,1.1365492235743764,1.530883146916364,1.3631988356349547,1.2298523415832077,0.6557037382242363,0.2570160172350891,0.012448149997991586,0.17550183166085506,0.9439184268026211,3.559658766821139,3.1674883752833285,2.818222577049159,2.3315184318825564,2.004197705346517,1.7749922720848041,1.2887505167737308,0.4399933517759919,1.7328299678764874,1.5809175425681947,1.4789748622913885,0.994090598856967,0.624569930386033,0.3856607068147629,0.2642971164586919,0.3992772455089816,3.761031221749302,3.440610615391256,3.0762788691688203,2.695207018248016,2.4649930457126534,2.2595583131804684,1.8849619004091196,1.2085154086205885,1.486307508136791,1.3066230304179278,1.170549594893366,0.5700724122776047,0.11030479295012828,0.18539627028430714,0.3312493107342986,1.2076448229620869,3.853939568365478,3.570908555373207,2.9827954603049194,2.687695078215056,2.486378083846034,2.0089229228498766,1.5172042134141424,1.3913345523267973,1.6141101635045076,1.3704161250855453,1.252859868548083,0.732135570166391,0.3985658855302593,0.20525265528214917,0.015548810618581953,0.6461538461538453,0,0,0,0,0,4,3,0,0,0.0,0.0,0.14433756729740646,0.10206207261596577,0.07216878364870323,0.0,0.0,0.08333333333333333,0.05892556509887897,0.024056261216234408,0.20412414523193154,0.0,0.0,0.0,0.11785113019775793,0.0,0.0,0.0,0.4330127018922194,0.6123724356957946,0.39073720721077865,0.21477918909913546,0.27883876791260265,0.13024573573692622,6.52709773749546,4.431851652578137,3.2927109793486995,2.4406706976806576,1.791837385503403,0.9010475702906074,0.49279927982674443,0.24639963991337224,0.72523308194394,0.49242796139757083,0.32927109793486997,0.22187915433460523,0.1493197821252836,0.11263094628632593,0.0821332133044574,0.06159990997834306,5.92938075605009,3.625331026294228,2.2944937515082424,1.5318581659237256,1.0250804090267687,0.4351894979052952,0.20678170628623746,0.09974361875488966,0.6588200840055656,0.4028145584771365,0.22944937515082425,0.13925983326579325,0.08542336741889739,0.0543986872381619,0.03446361771437291,0.024935904688722414,12.22239283533483,22.876183539694097,21.776470588235302,22.12,13.550360479041911,177.5068275449102,0.5314083841449926,0.9946166756388738,0.9468030690537088,0.9617391304347827,0.5891461077844309,7.717688154126531,1.2019,35.46699999999999,34.484946128795166,51.837294267610396,68.96989225759032,7.663321361954481,34.484946128795166,0.14713664663089276,0.016348516292321418,-1.7247541995606506,45.42740456760696,5.047489396400774,3.434503992998641,86,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,5.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.522407407407407,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.1658333333333335,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0088803854875286,0.0,4.908573318216176,0.0,0.0,0.0,0.393472222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.522407407407407,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.192407407407408,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3388888888888889,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0088803854875286,0.0,0.7881944444444444,0.0,0.0,0.0,0.393472222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.192407407407408,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.33,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5611111111111111,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0088803854875286,0.0,1.2060922146636432,0.0,0.0,0.0,0.393472222222222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,5.33,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,17.833333333333336,1.9814814814814818,0.5611111111111111,5.33,0.0988888888888888,0.393472222222222,3.4009943603552535,0.9398611111111113,1.83,7.0625755857898715,0.9398611111111113,1.83,7.0625755857898715,4.16666,0.46296,0.0,0.03704,0.52319,0.87037,0.43333,0.52319,0.87037,0.08986,0.0,-0.08986,0.0,0.53191,0.18238,0.0,0.12,0.12,0.0,5.5,0.61111,5.5,0.61111,0.0,0.0,-5.5,-0.61111,0.0,0.0,7.18873,0.79875,9.2991,2.11037,0.23449,3.44209,0.38245,4.43185,0.98976,0.10997,-0.01785,-0.00198,0.06815,0.00757,0.21739130434782608,9.02,2,2,2,2,0,0,1.0,1.2646726793957221,1.8253942860148422,3.2946635862096043,3.795088586397732,3.762267390651494,3.882045108136862,29.08747162610161,41.98406857834137,75.7772624828209,87.28703748714784,86.53214998498436,89.28703748714783,0.2795745237229117,0.4035302939911443,0.7283339143389153,0.8389602316192749,0.831704622861161,0.8581832515721012,3.258889276661291,2.698167670042171,1.2288983698474087,0.7284733696592811,0.7612945654055192,0.6415168479201512,0.2795745237229117,0.4035302939911443,0.7283339143389153,0.8389602316192749,0.831704622861161,0.8581832515721012,11.608038931487028,18.33669821091647,24.348990002964364,23.897489543227348,24.82025282213933,24.94096780409691,32.94327953276238,23.94187662016944,17.543657486712586,17.134414482574385,16.158190214968016,15.817773462022899,7.111111111111111,3.92,2.3801652892561984,4,0,2,2.01,1.1037000000000006,0.0,1.4206635973397097,0.25,0.0,4.114023331641588,3.041821709466029,0.0,0.0,0.0,0.0,0.0,0.0,0.33333333333333337,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.631,0.6400000000000001,0.608,0.26,4.114,10.0,11.0,12.0,8.0,6.0,4.0,2.0,0.0,0.0,71.0,2.302585092994046,2.3978952727983707,2.4849066497880004,2.5649493574615367,2.1972245773362196,1.9459101490553132,1.6094379124341003,1.0986122886681098,0.0,0.0,4.276666119016055,1.0,0.5,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.0,0.3333333333333333,4.0,0.4444444444444444,0,3.0,6.0,1.0,1.0,0.44444444444444464,0.2222222222222222,0.125,0.08000000000000002,0.05555555555555554,0.0,0.0,0.0,0.0,0.1111111111111111,0.04444444444444447,0.037037037037037035,0.025,0.020000000000000004,0.02777777777777777,0.0,0.0,0.0,0.0,0.26537037037037037,22.78262294485209,35.72395513004864,45.56524588970417,5.062805098856019,22.782622945326956,0.17164327252514577,0.019071474725016198,-1.5861032575429974,41.71026418036488,4.63447379781832,3.3576725177374156,18.46,134.85234578218896,4.169925001442312,3.6635616461296463,4.394449154672439,5.153291594497779,5.910796644040527,6.680854678790215,7.44716835960004,8.220672170297252,8.990566138131577,9.765316843477462,78.22667722963693,2.9444389791664403,0.0,4.07753744390572,2.3978952727983707,5.37989735354046,4.442651256490317,6.7650389767805414,6.259581464064923,8.19946419761216,8.598220030058611,130.099379688,5.656494769043478,17.59254001617014,1.9547266684633489,5.857394159631838,5.857394159631838,0.0,99.0,6.0,0.7959999999999999,38.0,1.2929383590737422,2.205304685313115,2.936471861058224,3.7394251186702205,4.7183110995365425,5.487654672723032,6.30133431041222,6.975494728343741,0.0,0.0,110.24165039910086,112.15067674819856,87.30716599472045,117.69857291260695,123.58124281722223,119.19494948861362,36.884075846022874,7.087549075659855,0.0,0.0,304.9758713658358,352.26453587660285,342.6074379317551,442.54418538122843,505.68114793018526,647.3665796027187,425.77267290452227,216.82449541513816,0.0,0.0,10.152668624685402,17.35549782990897,22.543149011570318,27.4895972348604,35.214611270221,40.08589734951841,43.43232313343691,46.864610214567215,0.0,0.0,2.0698666173441684,2.5529774654095503,2.761741739115501,3.6387803482876118,4.1610475629849235,5.671113069364695,4.64008208888474,3.1013949739277966,0.0,0.0,189.1183124386998,352.5221943332954,492.7686429378033,613.9556378077575,805.0598443740959,890.4397677785088,1077.8453006109908,1289.8921068728512,0.0,0.0,3.2781028101663763,5.186429673890756,6.087095941260667,6.741863938788802,8.830278852626508,9.664298518331355,8.234972970746448,6.975494728343741,0.0,0.0,0.4859690940511927,0.6283253296319643,0.6688853554039087,0.858705948357784,0.9908924039068071,1.2645612180317733,1.0234234037053225,0.7142906601823991,0.0,0.0,338.40777915540593,285.7014068358624,14.240162269527964,48.79872684359934,-41.19841732306283,-11.810475195086457,289.6090523118066,326.8998241589252,26.05063746461442,0.8739723478620354,0.7378528056979402,0.036776660642072335,0.1260276521379646,-0.10639908339548577,-0.030501747806677602,131.03369376964773,110.6254434999146,5.513883477242788,18.895184518309968,-15.952295224352051,-4.573092834477348,0.09645391473436013,0.4480648924984833,0.0,2.666919300804189,357.56000789416396,29.646498104841303,0.9234349174264198,0.07656508257358016,649.1458030941772,25.478339881047532,8.658594832228083,784.7643082392038,28.01364503664605,9.223868034770302,1116.5606468213464,33.41497638516817,10.37434705314344,1.6997733121867868,1.6477821100619288,679.0057460427896,637.6052885906453,154.80841676173736,1.0649311701031454,4.386103548154195,4.1186732732495495,4.429475192164541,4.709175068153331,8.105147885825538,0.721139640918874,3.904640751820225,3.598624665708725,15.583553964272658,7.893762218004616,10.29145505099339,7.2958278828968695,5.41621058353543,5.171934811917681,4.738001181444098,4.102953274910281,6.924224663138974,3.0915673326698756,3.6185123374089065,0.6061320234082391,0.8907814803612748,1.6943114699177627E-7,1.6727142902805863E-35,3.1851228598368855E-85,1.1697862594946395E-156,8.2863399671958E-250,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.3277197450955684,3.9092416344901584,2.1019563729625976,4.502356200304993,2.2828704431179796,1.9615387509090512,1.7200814232116461,1.19296509441693,0.19356098062344856,0.7068901657580801,0.32544664279969016,0.15081068800224262,0.1209338526274398,0.004294073276049508,0.006273846801186265,1.1933174218491387E-9,1.17810635164072E-37,2.243308073431027E-87,8.238900273527896E-159,5.836136992391083E-252,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.057845464012589,3.1110795494887844,3.922503409240758,3.686245505282391,2.2771667624845,2.691245853990872,1.9066638277185417,1.4354281701576728,0.5467322123328274,1.181779888290669,1.2052906608892051,0.5541447758173684,0.5108036662964452,0.04455098317179673,0.0653783208296702,1.2435287588236348E-8,1.227677650886785E-36,2.337699972476722E-86,8.58556930756608E-158,6.0817047145987945E-251,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.6856642762800877,4.017103357331099,15.906537761112409,8.535450517889494,10.702867333331934,6.943274233348974,5.529049089113256,5.266520263979471,4.748306900228185,3.8797960590982026,6.355005127024971,2.841866517753562,3.289751211319541,0.5400699590171364,0.7936702617796889,1.5096010160882321E-7,1.4903583178572487E-35,2.837887124620008E-85,1.0422584969131283E-156,7.382979727297995E-250,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.5590539206305916,2.8153055913742024,5.0977518909803825,3.799338416527435,2.5974269314575076,3.273182279079668,2.1237827058983862,1.7351192122819248,0.8350636469909611,1.5568854488361403,1.947969810206552,0.8894956659281826,0.8746573478287649,0.09670908112383282,0.14201044912657995,2.7011106327194074E-8,2.6666799081504712E-36,5.077796719183305E-86,1.8649003796706866E-157,1.3210275317800178E-250,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.715412380540929,3.9290426193285994,20.493213321512936,9.628284744477215,14.209768025100846,9.145607748242808,7.072389349096384,6.672883639967335,6.877863009540606,5.26234589138582,9.219414039343583,4.095201884790646,4.965934052489164,0.8839049308223448,1.2991210720623139,2.470994044818187E-7,2.439496588054277E-35,4.645202348215955E-85,1.706023321120346E-156,1.2084848078891644E-249,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.600635287443281,5.014166060048463,12.90468900570549,10.320247329877192,9.4724758786302,4.842109989911072,4.803342707901216,4.958278080174389,3.492719077628669,2.7661612760513927,3.8454401075203974,1.7069964578636387,1.7767410720688195,0.2532046044670164,0.371914445291666,7.074001024698068E-8,6.983829604863799E-36,1.3298359111839684E-85,4.8840306786947795E-157,3.459669515297844E-250,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,6.128721342650494,1.3176294700464302,0.8313451718722742,0.7403897599133021,0.15917828735226308,0.5918633463414502,0.45858425858781554,0.42966331992200607,8.277695984569199,14.26587165098159,29.25699901423647,0.6105846398699533,1.4801109248512718,4.474245855042086,0.7941223199837522,0.44808992800483505,0.7826954688375992,0.13891859358905043,0.3169595952876476,0.20982326570041931,0.09529973544415328,5.716458103030673,5.913801214834,13.222366968289135,0.6740432032563988,0.6220825964322202,5.4058827609266,0.9883751923535159,0.6013803283966626,0.7727504686864497,0.14128449078653807,0.46130851879529994,0.26517139772263604,0.21149478158669194,6.995638281676778,9.18842136146795,19.397259041755063,0.6591257030296745,0.937974698104628,5.9457012867509125,1.2787545642869875,0.8203228874917712,0.7390758005903337,0.15895459724237274,0.5571559595906576,0.4344083837378857,0.40656311768188247,8.044778738529672,13.529479142599975,27.811248804469987,0.6086137008855007,1.3981274610104257,5.800298716157812,1.1061372804353924,0.6641823233977777,0.7661591789459966,0.14610923886025598,0.5306660323380895,0.3258593983274491,0.273727171764795,7.570618319990983,11.003059354219022,22.835022741765144,0.6492387684189951,1.1302526024303337,6.175950192059159,1.3533199648589773,0.8610232355485962,0.7360827450449191,0.16129590486955586,0.6009256033631978,0.4831507156862903,0.46020546714859356,8.390293392466733,14.840913248717436,30.42767044077283,0.6041241175673787,1.5442817861980818,6.042726125588323,1.2945647739154669,0.8227723314536944,0.7405244242058749,0.1586464145282812,0.575319258110096,0.44297089496109476,0.41495206791447253,8.160063230957485,13.85962032054404,28.45598498191588,0.6107866363088125,1.4332422209856632 +UMLCN0482,L,dibutyl fumarate,CCCCOC(=O)C=CC(=O)OCCCC,Esters,Olefins,C12H20O4,Jenkins (2013),CFR,PubChem,,23,0,-0.9539999999999991,0.9101159999999983,55.620000000000005,37.66385999999998,0,0,36,16,20,0,12,0,4,0,0,0.0,0.0,0.0,0.0,0.0,2775.3627359999987,2693.5027830000017,3258.946280000002,2996.212663,2858.883582,2933.553302000001,2357.561076,1941.8105449999982,1678.602423999998,6569.440817467985,7922.761455609265,9780.451727166883,9697.670755245059,8863.508210637141,8012.419405081552,7458.40846105162,6790.622395923242,5707.717966541935,278.2623360000001,270.420588,479.26606400000003,574.4826520000001,515.8901039999997,449.8879759999998,353.666688,392.29955599999994,327.133696,44.93187409698004,55.40702620000001,72.51440410218794,74.13400156862092,65.02848012898002,57.840891297584044,54.96339000279204,50.389312622792026,43.05394189649003,5961.690456774981,5123.660129558001,9858.74275327759,12633.334387332023,10970.52807895678,9323.332611515883,7269.6004796923935,8075.472042882293,6901.162235238092,177.55555555555554,105.16666666666667,198.0,196.27777777777777,204.66666666666669,248.58333333333334,153.16666666666669,172.41666666666669,123.33333333333334,77.0934093333333,76.95722237142861,52.563649677419384,39.423850828947366,43.31641790909091,52.38488039285716,51.25132773913043,39.628786632653025,39.966724380952336,182.48446715188845,226.36461301740758,157.74922140591747,127.60093099006656,134.29557894904758,143.07891794788486,162.1393143706874,138.58413052904575,135.89804682242703,7.729509333333336,7.726302514285715,7.730097806451614,7.558982263157897,7.816516727272723,8.033713857142853,7.688406260869566,8.0061133877551,7.788897523809523,1.2481076138050011,1.5830578914285718,1.169587162938515,0.9754473890608015,0.9852800019542427,1.0328730588854294,1.1948563044085225,1.0283533188324903,1.0250938546783341,165.6025126881939,146.3902894159429,159.01197989157401,166.22808404384241,166.22012240843605,166.48808234849793,158.03479303679117,164.805551895557,164.3133865532879,4.932098765432098,3.0047619047619047,3.193548387096774,2.5826023391812867,3.101010101010101,4.438988095238096,3.3297101449275366,3.5187074829931975,2.9365079365079367,0.5492805940985569,-0.3499595314300004,0.16124835047135205,0.04835349841049768,-0.4150611636154763,0.34654771625953956,0.04107369227636547,-0.12701795727613563,0.008059351026857257,1327.7124320000005,13.076141222221366,0.39296088888836067,350.17295811111126,-23.049495333333677,195.97856422222176,-122.31033022222269,-658.0896185555563,-263.82407200000017,1732.21934488722,-186.28582154944496,-429.0449428727195,391.5307025298097,126.22326263078992,267.54744375187903,-322.2505917282781,-430.41557730737657,-218.0790061141406,3.763712000000003,-0.028080444444443402,1.3308088888888898,-0.42326622222222343,-1.2965839999999957,2.15066222222223,-0.3988355555555547,-1.8936635555555466,-0.934794666666664,7.754684860880004,-1.5623954410027627,-2.4179356749964347,0.5285184223821078,0.2154101398699964,2.3698337943828856,-2.0253848388902136,-0.5103866360452234,-0.6858450981466673,43.85891897176886,-9.797150607700768,-13.369890930549747,0.46109047462790387,-0.0820414466484225,15.991211820711362,-12.223612383337326,-1.1271137061217469,-3.6449217018503646,73.06172839506165,-1.0939643347050736,25.294924554183783,1.7400548696845028,-22.30452674897122,32.33916323731139,-11.46159122085048,-43.13340192043892,-18.831275720164623,0.01525779428051547,-0.009998843755142869,0.00260077984631213,6.362302422433905E-4,-0.0062888055093253984,0.006188352076063206,8.929063538340319E-4,-0.0025922032097170536,1.9188931016326803E-4,36.8809008888889,0.37360403492061045,0.0063380788530380755,4.607538922514622,-0.349234777777783,3.49961721825396,-2.6589202222222323,-13.430400378684823,-6.2815255238095276,48.117204024645,-5.322452044269856,-6.92007972375354,5.151719770129074,1.9124736762240897,4.777632924140697,-7.005447646266915,-8.78399137361993,-5.19235728843192,0.10454755555555564,-8.022984126983829E-4,0.0214646594982079,-0.005569292397660835,-0.019645212121212056,0.038404682539682676,-0.00867033816425119,-0.03864619501133768,-0.02225701587301581,0.21540791280222232,-0.04463986974293608,-0.038998962499942495,0.006954189768185628,0.0032637899980302487,0.0423184606139801,-0.044030105193265515,-0.010416053796841294,-0.01632964519396827,1.2183033047713572,-0.27991858879145054,-0.2156434021056411,0.006066979929314525,-0.0012430522219457954,0.2855573539412743,-0.265730703985594,-0.023002320533096875,-0.0867838500440563,2.0294924554183793,-0.031256123848716386,0.40798265409973844,0.022895458811638195,-0.3379473749844124,0.577485057809132,-0.24916502654022782,-0.8802735085803861,-0.44836370762296723,-0.6553269477431352,0.17045582071016527,0.04169870366228952,-0.41217002888525883,0.4055862834620771,0.05852132604607813,-0.16989370560772027,0.01257647774215404,0.010130013798908205,1.7185260392995298E-4,0.12493021622209705,-0.009469258325058889,0.09488968907774942,-0.07209477420936007,-0.3641559738235948,-0.17031919970539441,-0.11061432500408308,-0.14381716194916824,0.1070660665879595,0.03974615140240788,0.0992915740011339,-0.14559132826335497,-0.18255406879254424,-0.1079106193654241,-0.007674004508618555,0.20531000829380242,-0.05327042194402491,-0.1879069483434528,0.36734175500903765,-0.08293200274437645,-0.36965182787847617,-0.2128889169597909,-0.20723412228557436,-0.18104702836868186,0.03228381760780834,0.015151671800594025,0.19645731701989505,-0.20440337878252385,-0.04835501937389291,-0.07580800993583463,-0.22976100261337118,-0.17700305109663275,0.0049798600279206615,-0.0010203142493971015,0.2343893780989667,-0.21811539289509235,-0.0188806190076073,-0.0712333699696754,-0.015400955921402006,0.2010269380457652,0.011281371729424982,-0.16651817260130916,0.2845465408197753,-0.12277208810261998,-0.4337407149409274,-0.2209240573552845,1.675145855844733,0.8219978780173777,0.9742353529161198,1.687919731860989,1.0110628744392642,1.2359219153734688,1.4875583819194556,1.2188826898586949,0.9477749034137238,0.9835094092097606,0.8377737096263661,1.0475182740109459,0.9923471426265896,1.0480833950416497,1.449600117281162,1.1920607694764234,1.3593083145204454,1.1885769498392338,0.8436009594704424,0.8846711333787337,0.8127955509238136,1.2064501994904693,1.1047656039780747,1.0601552394426317,0.7201805026527,0.7626680530353557,0.9903571121723492,1.4515521491613166,1.104862035139776,1.0087662531495265,1.8517585071030167,1.4059772196526537,1.5892992519481197,1.2661689108904728,0.9005369347638926,0.901833837409854,0.7170039065607058,1.3115845267277728,0.9849007669383222,1.035005095089386,1.6267177519335134,1.2701464459452831,0.9223398722174984,0.9298955447089239,0.7024826691189652,1.3325739964768657,0.9824174677807375,1.042258728980852,0.5702940182494093,0.48355413773179745,0.7681210090535573,1.433310163138654,1.1914392531260574,1.4397444421587806,2.2868790131801306,1.417180635349782,128.00348358916938,64.50174179458466,98.59908386763223,128.87848358916932,8.054905224323083,64.50174179458466,0.9999999999999574,4.440892098500626E-16,2.7755575615628914E-17,-56.560809933691544,128.97839720319797,8.061149825199873,7.775431882875179,128.0473897108543,64.52222601362449,98.63110534788547,128.91981923769964,8.057488702356228,64.52222601362449,0.9970623163946826,8.881784197001252E-16,5.551115123125783E-17,-55.45177444479563,129.01126444358977,8.06320402772436,7.775839554908048,166.9416578466853,82.6728399672266,127.18434417093351,165.5451771734822,10.346573573342637,82.6728399672266,-1.595977912232101,5.551115123125783E-16,3.469446951953614E-17,-56.203780251588796,159.33231465091262,9.958269665682039,8.11358728063775,128.09346991667144,64.54372455877362,98.66471308775766,128.96320171743776,8.06020010733986,64.54372455877362,0.993979200875792,7.216449660063518E-16,4.5102810375396984E-17,-55.78399742844082,129.0457636196508,8.065360226228176,7.776267357106971,208.13389482187267,101.90235888225793,157.67394448434567,204.34586489668544,12.77161655604284,101.90235888225793,-4.329177057356802,6.106226635438361E-16,3.8163916471489756E-17,-56.05128396390188,192.92598465652523,12.057874041032827,8.419690585858044,132.60114408221523,66.6468404128642,101.95547522717055,133.20711373278925,8.325444608299328,66.6468404128642,0.6925367435131591,8.326672684688674E-16,5.204170427930421E-17,-55.55503607861574,132.4417735735516,8.277610848346974,7.817828966582773,118.2956226190297,59.70595552548829,89.4871978164367,119.76288452379161,7.485180282736976,59.70595552548829,2.347619047619041,3.3306690738754696E-16,2.0816681711721685E-17,-57.02110124961439,149.02056174065504,9.31378510879094,8.006534871494408,0,11.89,15.997926715744427,-0.31324043782407157,0.2872123725088771,4.360603515624996,7.266841385506411,15.0,35.0,32.0,32.0,12.0,3.0,3.0,0.0,0.0,3.0,27.612139999999993,3.65314085943187,3.439753229117104,3.3210298963398666,3.146353414217285,2.7724755559518366,2.6513362199153745,2.303145888990947,1.951294653343368,1.8264946297846736,1.8177117698879375,1.654324234416347,1.410951126285075,1.3731827020430751,0.9830155628685687,0.899581143452249,0.7879453977889472,3.545225768309739,3.3969681070143785,3.3403579702040456,2.985789866892834,2.7633365739061815,2.6209720250749253,2.1630864321955086,1.9481000297462499,1.8069986301830487,1.768005427231841,1.6663422749558077,1.3975229851909645,1.2985373310549324,1.0714732114355963,0.811336644056678,0.733448033640529,3.7032251886488243,3.567371232575115,3.4818287511067134,3.239706440785703,2.9960552023706226,2.862436324722761,2.4734656789242244,2.3004905322292823,1.6140711992578343,1.5543543908131356,1.4870578896182134,1.1002554833257048,1.000495290935014,0.7795081192476274,0.4049066459898597,0.3168843452807432,3.5228954368540704,3.4084554270946272,3.358965742091171,2.9421893327851962,2.7840117240248587,2.6181730853436367,2.1406221344512297,1.9879957831539912,1.8167207001483445,1.7421012917183956,1.6493855137830313,1.4118353880790684,1.2514062160101234,1.0881958294258605,0.7644113966553869,0.6716937519506092,3.7068177747396907,3.6160722016696067,3.5382077750533747,3.2478460320780873,3.079966735224278,2.916926701209992,2.541181370563584,2.4274861991809398,1.5971474457411239,1.4984276690864653,1.437386502836164,1.0713446234182102,0.9157891518673101,0.7451445036000097,0.3159964861514245,0.1871039790310295,4.889531790730048,4.8385465204395,3.4703533152695436,3.4612925501054588,3.237683406782503,3.0756722383975985,3.0131422977197606,2.414474294569402,1.6860016805293225,1.682210370497206,1.373378860076129,1.1438661232423946,1.1144880608452346,0.6075230732960238,0.5654764566623577,0.35886657447769454,0,0,2,2,0,4,4,0,0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.5773502691896258,0.0,0.0,0.0,0.09622504486493763,0.0,0.0,0.0,0.8164965809277261,0.8130525295851416,0.9772838841927124,0.12359693729953272,0.11517401027616589,0.10412078426405175,12.22576835024473,7.701907262607799,5.779257531797426,3.7532188576240553,2.343309287977151,1.6379674867156715,1.0395057741863334,0.47052203082849775,0.7641105218902956,0.5134604841738533,0.3612035957373391,0.25021459050827033,0.1673792348555108,0.11699767762254797,0.08662548118219444,0.05228022564761086,10.03033438735399,5.718744015013407,3.375434727036255,1.8399227181869582,0.8665049737762024,0.4583059254616203,0.263675821802589,0.10689100587092545,0.6268958992096244,0.3812496010008938,0.21096467043976594,0.12266151454579721,0.061893212412585885,0.03273613753297288,0.021972985150215753,0.011876778430102828,20.277474455526132,36.201019664967234,34.65098039215686,35.199999999999996,21.906502994011994,276.38602395209585,0.5632631793201703,1.0055838795824232,0.9625272331154684,0.9777777777777776,0.6085139720558888,7.6773895542248844,2.1553900000000006,60.60400000000004,77.02616263978724,118.28410665543271,154.05232527957452,9.628270329973407,77.02616263978724,8.326672684688674E-16,5.204170427930421E-17,-55.55503607861574,104.49226759996185,6.530766724997616,7.438580919053468,288,0.0,0.0,4.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,8.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,6.0,0.0,2.0,0.0,0.0,0.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,31.720875377928948,1.203910987234401,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.3803904478458051,0.0,0.0,3.4526630605946083,0.0,0.0,1.3803904478458051,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.017404516669141,0.0,4.391142451500842,0.0,2.202260015117158,0.0,0.0,0.0,0.0,-0.9983490278827571,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,22.070971119929453,9.649904257999495,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,4.8249521289997475,-0.4991745139413786,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6901952239229026,0.0,0.0,0.30704935909549,0.0,0.0,0.6901952239229026,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0087022583345706,0.0,0.3934083959570971,0.0,1.101130007558579,0.0,0.0,0.0,0.0,-0.4991745139413786,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.035485559964727,4.8249521289997475,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.035485559964727,1.101130007558579,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.6901952239229026,0.0,0.0,0.6343905895691611,0.0,0.0,0.6901952239229026,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.0087022583345706,0.0,0.9683072458930975,0.0,1.101130007558579,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.035485559964727,4.8249521289997475,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,41.33333333333333,2.583333333333333,0.6901952239229026,11.035485559964727,0.16502393550012595,-0.4991745139413786,4.609449429988747,2.1658411806080453,4.035485559964727,21.476559789196177,2.1658411806080453,4.035485559964727,21.476559789196177,7.33332,0.45833,0.0,0.04167,0.56296,0.89167,0.428,0.54912,0.89167,0.13496,0.01384,-0.12112,0.0,0.51402,0.20027,0.0,0.22727,0.13636,0.0,13.5,0.84375,9.0,0.5625,4.5,0.28125,-4.5,-0.28125,0.0,0.0,13.13317,0.82082,22.23764,9.10446,0.56903,5.0903,0.31814,7.70189,2.61159,0.16322,0.21211,0.01326,0.21211,0.01326,0.0,15.04,4,4,4,4,0,0,0.6666666666666666,1.3516441151533924,2.473851389610045,3.350209029099898,3.57243125132212,3.57243125132212,3.57243125132212,48.65918814552213,89.05865002596161,120.60752504759633,128.6075250475963,128.6075250475963,128.6075250475963,0.26144366016456894,0.47850817737585877,0.6480188838649018,0.6910025291131842,0.6910025291131842,0.6910025291131842,3.8182808862889197,2.6960736118322672,1.8197159723424141,1.5974937501201922,1.5974937501201922,1.5974937501201922,0.2575576952408153,0.47139587642413017,0.6383870624199147,0.6807318207369755,0.6807318207369755,0.6807318207369755,12.448276924806445,23.49459827386717,25.599166214151694,25.823127332373918,25.823127332373918,25.823127332373918,58.73213231749098,36.44945834375003,32.40768751241991,31.367754177804525,31.367754177804525,31.367754177804528,16.0,11.484375,11.324444444444444,16,8,4,2.3400000000000003,1.9052000000000007,0.07692307692307693,3.2649247315979193,0.6324555320336759,0.0,6.991690615009551,5.054607252192457,0.0,0.33333333333333337,0.0,0.0,0.19999999999999996,1.2649110640673518,0.19999999999999996,0.0,0.0,0.0,0.0,0.0,0.0,0.003,0.7849999999999999,0.7720000000000002,1.089,0.256,6.882,16.0,15.0,14.0,14.0,12.0,9.0,8.0,7.0,4.0,130.0,2.9444389791664403,3.1354942159291497,3.295836866004329,3.295836866004329,3.5553480614894135,3.295836866004329,3.1354942159291497,3.044522437723423,2.9444389791664403,2.1972245773362196,5.4680601411351315,1.8153846153846154,0.46153846153846156,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.0,0.6666666666666666,12.0,0.8,0,7.0,13.0,0.8571428571428571,2.5,1.1111111111111116,0.5,0.4800000000000002,0.27777777777777785,0.12244897959183672,0.09375,0.07407407407407406,0.020000000000000004,0.01652892561983471,0.16666666666666666,0.06944444444444448,0.03333333333333333,0.0342857142857143,0.019841269841269847,0.01020408163265306,0.010416666666666666,0.009259259259259257,0.0028571428571428576,0.004132231404958678,0.37098759978505236,77.02616263978724,118.28410665543271,154.05232527957452,9.628270329973407,77.02616263978724,8.326672684688674E-16,5.204170427930421E-17,-55.55503607861574,104.49226759996185,6.530766724997616,7.438580919053468,52.60000000000001,243.3598049110446,5.0,4.143134726391533,4.8283137373023015,5.556828061699537,6.267200548541362,7.00397413672268,7.725330037917135,8.46611040118692,9.19370273082316,9.936487030799237,94.12108141138387,3.4339872044851463,0.0,4.553876891600541,0.0,5.820082930352362,0.0,7.153833801578843,0.0,8.527341522468053,8.825412915085566,228.13615912,6.337115531111111,30.47014399263282,1.9043839995395513,10.892808695769709,10.892808695769709,0.0,590.0,15.0,2.926,62.0,1.2441201259516206,2.154491477494886,2.931550397122629,3.7992936803272057,5.110380024540677,6.233571465652031,7.413720264284207,8.549900210671128,9.808123368426065,10.852918726240334,107.87679817625357,125.48754569243643,133.0989869297649,197.6379493227199,293.3516410902843,353.8061118262318,319.3609516140694,372.6140739814283,405.7881303338871,301.54414045839695,305.74444403911207,364.8416619967416,411.2176150958575,581.048936322287,792.1246329405828,1091.6673220126079,1088.191608454998,1233.8672432932374,1327.8033053070951,1365.581430349607,9.693790039197548,16.7958644647026,22.293750700325806,29.94163417110811,41.27353375612381,48.05908555688251,59.358017777670106,66.68295594838959,76.9645629152902,85.43365548102936,2.0859505406268304,2.6481273863989436,3.052452218998247,4.129304565179218,5.6230277414283325,7.918648796906632,7.984449771654041,9.186992312874915,9.875850686909112,10.825454860913567,180.3657933470945,339.1080696938826,482.7135578509653,619.1554085354134,842.801503018651,971.0014320329326,1211.4328777500482,1391.310976535678,1617.4376026995621,1810.6076918143792,3.869252588595272,7.24735008265604,7.8321516985886666,12.162079660917188,23.00918648906914,21.069746010629768,26.01407743992013,25.163012564263216,31.09879873536808,29.897653307918876,0.47893312572979624,0.6375155876543892,0.7436146582574772,1.0410143909696965,1.406297653939136,1.8842080077142043,1.9991661475688383,2.261968739249228,2.491857570626275,2.6175677397793695,500.0184065644589,721.2145383833887,20.7822950290072,176.83519446989257,-255.06283663799337,-30.40885248574186,323.18321209456633,976.2773750213821,51.19114751474906,0.7387393755464148,1.065539929581886,0.03070426898408784,0.26126062445358533,-0.376836048812051,-0.044926779497474464,338.4392590666124,488.15665742312405,14.066571228141825,119.69153816655661,-172.64019946846233,-20.58234130829677,0.19836826414796022,0.21647645447600047,1.4223584831521203,2.7002715977388037,566.595201703951,110.2583993304003,0.8371015546612943,0.16289844533870554,1216.8612252048958,34.883538025906944,10.676125840975986,1417.0356484568708,37.643533952816796,11.232081826245558,2209.3599027077603,47.003828596272456,13.024332932402489,3.8052558694726,3.8052558694726,5230.966002177131,5087.8001776858155,168.4194293240289,1.028139042315226,31.059159998179695,30.209104722099447,6.739176925357326,9.548156777095777,17.859057104729803,0.8704193407852608,8.133776807202132,9.462427866664614,4.027937220955231,31.873406335435764,10.090674841202679,2.3689194676408487,12.667787036831644,4.8757417472469955,18.682076421179136,1.1244831110228523E-4,3.0828552088870014,13.593870716180046,2.326125448440315,12.786489835006261,3.6932908938665406E-4,6.008849489402457,6.126503756310144,1.7417614471295488,6.711161070640842,2.3025205627202658E-4,11.77792766417447,3.9928487178083345,1.1057737482141603,3.5676857602083953,0.08887513255692832,9.036265366042999,1.9784936151394243,2.796494642766755,4.596613267848531,0.01269412059874869,0.6988769687442612,10.122728960037223,0.3829874159546802,10.143377920721527,0.6081583454840032,0.5786036340161309,2.4119596063292312,0.5099771366262659,8.627242997243911,1.9213279276498158E-5,2.550628464088724,4.882488632574037,0.24708343120709003,3.979816609291954,8.146758368904187E-6,3.956939298492622,1.173446728892407,0.17475262231176908,1.9654129068398878,1.932583731269341E-5,5.350859205998327,0.028371066610772724,0.13436418916684437,0.08740627413598784,0.007362843958248254,2.7976910136933117,0.014297788900140272,0.07397276066824961,0.1412050793488644,0.0010618930897560806,2.209339499146675,8.878392245437782,0.9401477274614739,9.881048696091824,1.033440691130741,0.7841666652280326,4.203673715124887,0.6215514151313576,7.290097359197942,2.449139242522755E-5,1.4094633364130584,4.800621992908482,0.5208017533639461,4.87718370034658,4.135343827299836E-5,3.048985475980805,1.457912994944307,0.4833054386226263,2.045146291761243,6.237534412845303E-5,5.15666841888505,0.2936923240365258,0.2242749397035191,0.4120873207310857,0.02383130288375794,3.8902449275971285,0.14614288461567337,0.34380903228147064,0.5829344662474968,0.0034301847379138483,7.682661035958404,10.12834875203387,4.355638494245151,31.399455845029852,9.174975759109213,2.366732038248695,12.677080563208213,4.647654676603021,20.018181733984537,1.415155499116745E-4,4.226645972522261,13.953768995498557,2.656453782884911,13.056690379176873,3.3288386778489284E-4,7.356590506885245,5.976743213249458,1.642214539937604,7.63581850855778,2.1735499890541228E-4,12.601613795875227,3.5577281671396994,1.381982170842807,3.218171224308171,0.0838248905911184,8.59035775244254,1.7630521275126614,2.5286859277271505,4.158394506191457,0.01197984811875991,3.248689161016243,8.406095841056842,1.221803567054369,10.941094634052114,1.7839098926414316,0.9739391483910277,5.367074993713718,0.8995178637829369,7.752369500297333,2.3084248123962255E-5,1.1276893898032223,5.37662935896444,0.625258640333118,5.6695370114591945,7.61795226318868E-5,2.6177667317766296,1.8687989039344544,0.698484808934823,2.118413498550595,9.192454551680164E-5,5.329799516888073,0.6373260254260533,0.22334598430439961,0.7494983966602781,0.035186841453995636,4.693953612651067,0.3165485476602309,0.6139293830990915,1.0250419324910134,0.0050577521367748905,9.822735352043749,9.889107050519426,5.3324285908726194,43.0666899984646,14.567142540000335,2.872362649522676,15.534716054153773,7.026736923995866,23.370614173697188,1.6288449669566883E-4,4.219918383704906,16.736532216811295,3.179843209219863,15.618895221727872,5.20544923238519E-4,7.761692205574423,8.067926271647057,2.1158531358717947,8.975490293542057,2.780752692538312E-4,14.717159767172975,5.822382498735372,1.6077480198928689,5.016714400491992,0.10764216496737224,10.759912489798703,2.884263048943688,3.9029042354977244,6.407009619135643,0.015341197897112918,4.888720950081788,10.90954815278276,3.484677476644667,25.24900888082231,5.334817762681253,1.9170047925402856,9.646267510660502,3.8199339916451858,31.727870559533088,1.6349760596069367E-4,6.682461437752401,18.56102921715575,4.0834005663688,14.362023043236096,1.537178622340746E-4,8.028664580511785,5.618120171572845,1.1828789765157912,11.293155462468077,1.33752944352459E-4,12.994734218409658,1.3912480898933397,1.3365540993323584,1.3952648757411124,0.04621487032030111,6.184967851442864,0.6899186404711939,1.0961015079371177,1.9707042309808063,0.006624134705019463,31.740384740412193,0.8984640922292858,0.3480212304526621,0.9622126827947669,0.02723702159407029,0.6278190184475079,0.554389763989741,0.4443497822710547,32.98687006309414,39.87660829409704,82.78820719371765,0.9433190241921503,1.6265585647083036,22.248076802909093,0.6826952197976601,0.05532044851332807,0.9678929479103494,0.029700359930790066,0.30918763684167666,0.3171091219835134,0.011227546966913521,22.986092471220083,16.457196276090258,40.283531992010474,0.9518394218655241,0.6375243057921035,27.428925632017908,0.6642866174603237,0.1673885195642985,0.9705712152469291,0.023505750033028395,0.4691260423131508,0.3046815398602442,0.10279330558115325,28.26060076904253,22.923149436909725,54.233680886220554,0.9558568228703936,0.8766008877545483,30.557257134524704,0.9164508849954621,0.32667951332010364,0.9609083255028956,0.028818859017018045,0.5819893230209047,0.5782807176752387,0.39152301395044814,31.800387532840272,38.286040962164954,79.23483520127955,0.9413624882543435,1.5517930546465917,29.782689340589187,0.6829893379007941,0.22835458974701878,0.9703087593708026,0.02225153442469125,0.5528595538946515,0.321185982432251,0.1913079356683257,30.694033268237,27.29823682962512,62.63729001423056,0.9554631390562041,1.0653534719952282,32.02778836033906,0.9403409504656801,0.36911770307589065,0.9607208521748555,0.028206916728131456,0.6392281177699217,0.6070706484314977,0.4998540839110682,33.337247013880635,42.286161113988065,86.74014110606464,0.9410812782622834,1.7461528501124879,30.732488381221263,0.9342698356592892,0.32996688678576425,0.9604885588025321,0.0291989205967906,0.588698509262743,0.6011636713440285,0.39944244730098466,31.996725103666318,39.1614184927462,80.63229700221635,0.9407328382037982,1.5893046279077563 diff --git a/databases/cp_database_v1.1.csv b/databases/cp_database_v1.1.csv new file mode 100644 index 0000000..89693ff --- /dev/null +++ b/databases/cp_database_v1.1.csv @@ -0,0 +1,45 @@ +DATAID,ASSIGNMENT,STRING,STRING,TARGET,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT +DATAID,ASSIGNMENT,SMILES,Formula,TARGET,nAcid,ALogP,ALogp2,AMR,apol,naAromAtom,nAromBond,nAtom,nHeavyAtom,nH,nB,nC,nN,nO,nS,nP,nF,nCl,nBr,nI,nX,ATS0m,ATS1m,ATS2m,ATS3m,ATS4m,ATS5m,ATS6m,ATS7m,ATS8m,ATS0v,ATS1v,ATS2v,ATS3v,ATS4v,ATS5v,ATS6v,ATS7v,ATS8v,ATS0e,ATS1e,ATS2e,ATS3e,ATS4e,ATS5e,ATS6e,ATS7e,ATS8e,ATS0p,ATS1p,ATS2p,ATS3p,ATS4p,ATS5p,ATS6p,ATS7p,ATS8p,ATS0i,ATS1i,ATS2i,ATS3i,ATS4i,ATS5i,ATS6i,ATS7i,ATS8i,ATS0s,ATS1s,ATS2s,ATS3s,ATS4s,ATS5s,ATS6s,ATS7s,ATS8s,AATS0m,AATS1m,AATS2m,AATS3m,AATS4m,AATS5m,AATS6m,AATS7m,AATS8m,AATS0v,AATS1v,AATS2v,AATS3v,AATS4v,AATS5v,AATS6v,AATS7v,AATS8v,AATS0e,AATS1e,AATS2e,AATS3e,AATS4e,AATS5e,AATS6e,AATS7e,AATS8e,AATS0p,AATS1p,AATS2p,AATS3p,AATS4p,AATS5p,AATS6p,AATS7p,AATS8p,AATS0i,AATS1i,AATS2i,AATS3i,AATS4i,AATS5i,AATS6i,AATS7i,AATS8i,AATS0s,AATS1s,AATS2s,AATS3s,AATS4s,AATS5s,AATS6s,AATS7s,AATS8s,ATSC0c,ATSC1c,ATSC2c,ATSC3c,ATSC4c,ATSC5c,ATSC6c,ATSC7c,ATSC8c,ATSC0m,ATSC1m,ATSC2m,ATSC3m,ATSC4m,ATSC5m,ATSC6m,ATSC7m,ATSC8m,ATSC0v,ATSC1v,ATSC2v,ATSC3v,ATSC4v,ATSC5v,ATSC6v,ATSC7v,ATSC8v,ATSC0e,ATSC1e,ATSC2e,ATSC3e,ATSC4e,ATSC5e,ATSC6e,ATSC7e,ATSC8e,ATSC0p,ATSC1p,ATSC2p,ATSC3p,ATSC4p,ATSC5p,ATSC6p,ATSC7p,ATSC8p,ATSC0i,ATSC1i,ATSC2i,ATSC3i,ATSC4i,ATSC5i,ATSC6i,ATSC7i,ATSC8i,ATSC0s,ATSC1s,ATSC2s,ATSC3s,ATSC4s,ATSC5s,ATSC6s,ATSC7s,ATSC8s,AATSC0c,AATSC1c,AATSC2c,AATSC3c,AATSC4c,AATSC5c,AATSC6c,AATSC7c,AATSC8c,AATSC0m,AATSC1m,AATSC2m,AATSC3m,AATSC4m,AATSC5m,AATSC6m,AATSC7m,AATSC8m,AATSC0v,AATSC1v,AATSC2v,AATSC3v,AATSC4v,AATSC5v,AATSC6v,AATSC7v,AATSC8v,AATSC0e,AATSC1e,AATSC2e,AATSC3e,AATSC4e,AATSC5e,AATSC6e,AATSC7e,AATSC8e,AATSC0p,AATSC1p,AATSC2p,AATSC3p,AATSC4p,AATSC5p,AATSC6p,AATSC7p,AATSC8p,AATSC0i,AATSC1i,AATSC2i,AATSC3i,AATSC4i,AATSC5i,AATSC6i,AATSC7i,AATSC8i,AATSC0s,AATSC1s,AATSC2s,AATSC3s,AATSC4s,AATSC5s,AATSC6s,AATSC7s,AATSC8s,MATS1c,MATS2c,MATS3c,MATS4c,MATS5c,MATS6c,MATS7c,MATS8c,MATS1m,MATS2m,MATS3m,MATS4m,MATS5m,MATS6m,MATS7m,MATS8m,MATS1v,MATS2v,MATS3v,MATS4v,MATS5v,MATS6v,MATS7v,MATS8v,MATS1e,MATS2e,MATS3e,MATS4e,MATS5e,MATS6e,MATS7e,MATS8e,MATS1p,MATS2p,MATS3p,MATS4p,MATS5p,MATS6p,MATS7p,MATS8p,MATS1i,MATS2i,MATS3i,MATS4i,MATS5i,MATS6i,MATS7i,MATS8i,MATS1s,MATS2s,MATS3s,MATS4s,MATS5s,MATS6s,MATS7s,MATS8s,GATS1c,GATS2c,GATS3c,GATS4c,GATS5c,GATS6c,GATS7c,GATS8c,GATS1m,GATS2m,GATS3m,GATS4m,GATS5m,GATS6m,GATS7m,GATS8m,GATS1v,GATS2v,GATS3v,GATS4v,GATS5v,GATS6v,GATS7v,GATS8v,GATS1e,GATS2e,GATS3e,GATS4e,GATS5e,GATS6e,GATS7e,GATS8e,GATS1p,GATS2p,GATS3p,GATS4p,GATS5p,GATS6p,GATS7p,GATS8p,GATS1i,GATS2i,GATS3i,GATS4i,GATS5i,GATS6i,GATS7i,GATS8i,GATS1s,GATS2s,GATS3s,GATS4s,GATS5s,GATS6s,GATS7s,GATS8s,SpAbs_DzZ,SpMax_DzZ,SpDiam_DzZ,SpAD_DzZ,SpMAD_DzZ,EE_DzZ,SM1_DzZ,VE1_DzZ,VE2_DzZ,VE3_DzZ,VR1_DzZ,VR2_DzZ,VR3_DzZ,SpAbs_Dzm,SpMax_Dzm,SpDiam_Dzm,SpAD_Dzm,SpMAD_Dzm,EE_Dzm,SM1_Dzm,VE1_Dzm,VE2_Dzm,VE3_Dzm,VR1_Dzm,VR2_Dzm,VR3_Dzm,SpAbs_Dzv,SpMax_Dzv,SpDiam_Dzv,SpAD_Dzv,SpMAD_Dzv,EE_Dzv,SM1_Dzv,VE1_Dzv,VE2_Dzv,VE3_Dzv,VR1_Dzv,VR2_Dzv,VR3_Dzv,SpAbs_Dze,SpMax_Dze,SpDiam_Dze,SpAD_Dze,SpMAD_Dze,EE_Dze,SM1_Dze,VE1_Dze,VE2_Dze,VE3_Dze,VR1_Dze,VR2_Dze,VR3_Dze,SpAbs_Dzp,SpMax_Dzp,SpDiam_Dzp,SpAD_Dzp,SpMAD_Dzp,EE_Dzp,SM1_Dzp,VE1_Dzp,VE2_Dzp,VE3_Dzp,VR1_Dzp,VR2_Dzp,VR3_Dzp,SpAbs_Dzi,SpMax_Dzi,SpDiam_Dzi,SpAD_Dzi,SpMAD_Dzi,EE_Dzi,SM1_Dzi,VE1_Dzi,VE2_Dzi,VE3_Dzi,VR1_Dzi,VR2_Dzi,VR3_Dzi,SpAbs_Dzs,SpMax_Dzs,SpDiam_Dzs,SpAD_Dzs,SpMAD_Dzs,EE_Dzs,SM1_Dzs,VE1_Dzs,VE2_Dzs,VE3_Dzs,VR1_Dzs,VR2_Dzs,VR3_Dzs,nBase,BCUTw-1l,BCUTw-1h,BCUTc-1l,BCUTc-1h,BCUTp-1l,BCUTp-1h,nBonds,nBonds2,nBondsS,nBondsS2,nBondsS3,nBondsD,nBondsD2,nBondsT,nBondsQ,nBondsM,bpol,SpMax1_Bhm,SpMax2_Bhm,SpMax3_Bhm,SpMax4_Bhm,SpMax5_Bhm,SpMax6_Bhm,SpMax7_Bhm,SpMax8_Bhm,SpMin1_Bhm,SpMin2_Bhm,SpMin3_Bhm,SpMin4_Bhm,SpMin5_Bhm,SpMin6_Bhm,SpMin7_Bhm,SpMin8_Bhm,SpMax1_Bhv,SpMax2_Bhv,SpMax3_Bhv,SpMax4_Bhv,SpMax5_Bhv,SpMax6_Bhv,SpMax7_Bhv,SpMax8_Bhv,SpMin1_Bhv,SpMin2_Bhv,SpMin3_Bhv,SpMin4_Bhv,SpMin5_Bhv,SpMin6_Bhv,SpMin7_Bhv,SpMin8_Bhv,SpMax1_Bhe,SpMax2_Bhe,SpMax3_Bhe,SpMax4_Bhe,SpMax5_Bhe,SpMax6_Bhe,SpMax7_Bhe,SpMax8_Bhe,SpMin1_Bhe,SpMin2_Bhe,SpMin3_Bhe,SpMin4_Bhe,SpMin5_Bhe,SpMin6_Bhe,SpMin7_Bhe,SpMin8_Bhe,SpMax1_Bhp,SpMax2_Bhp,SpMax3_Bhp,SpMax4_Bhp,SpMax5_Bhp,SpMax6_Bhp,SpMax7_Bhp,SpMax8_Bhp,SpMin1_Bhp,SpMin2_Bhp,SpMin3_Bhp,SpMin4_Bhp,SpMin5_Bhp,SpMin6_Bhp,SpMin7_Bhp,SpMin8_Bhp,SpMax1_Bhi,SpMax2_Bhi,SpMax3_Bhi,SpMax4_Bhi,SpMax5_Bhi,SpMax6_Bhi,SpMax7_Bhi,SpMax8_Bhi,SpMin1_Bhi,SpMin2_Bhi,SpMin3_Bhi,SpMin4_Bhi,SpMin5_Bhi,SpMin6_Bhi,SpMin7_Bhi,SpMin8_Bhi,SpMax1_Bhs,SpMax2_Bhs,SpMax3_Bhs,SpMax4_Bhs,SpMax5_Bhs,SpMax6_Bhs,SpMax7_Bhs,SpMax8_Bhs,SpMin1_Bhs,SpMin2_Bhs,SpMin3_Bhs,SpMin4_Bhs,SpMin5_Bhs,SpMin6_Bhs,SpMin7_Bhs,SpMin8_Bhs,C1SP1,C2SP1,C1SP2,C2SP2,C3SP2,C1SP3,C2SP3,C3SP3,C4SP3,SCH-3,SCH-4,SCH-5,SCH-6,SCH-7,VCH-3,VCH-4,VCH-5,VCH-6,VCH-7,SC-3,SC-4,SC-5,SC-6,VC-3,VC-4,VC-5,VC-6,SPC-4,SPC-5,SPC-6,VPC-4,VPC-5,VPC-6,SP-0,SP-1,SP-2,SP-3,SP-4,SP-5,SP-6,SP-7,ASP-0,ASP-1,ASP-2,ASP-3,ASP-4,ASP-5,ASP-6,ASP-7,VP-0,VP-1,VP-2,VP-3,VP-4,VP-5,VP-6,VP-7,AVP-0,AVP-1,AVP-2,AVP-3,AVP-4,AVP-5,AVP-6,AVP-7,Sv,Sse,Spe,Sare,Sp,Si,Mv,Mse,Mpe,Mare,Mp,Mi,CrippenLogP,CrippenMR,SpMax_Dt,SpDiam_Dt,SpAD_Dt,SpMAD_Dt,EE_Dt,VE1_Dt,VE2_Dt,VE3_Dt,VR1_Dt,VR2_Dt,VR3_Dt,ECCEN,nHBd,nwHBd,nHBa,nwHBa,nHBint2,nHBint3,nHBint4,nHBint5,nHBint6,nHBint7,nHBint8,nHBint9,nHBint10,nHsOH,nHdNH,nHsSH,nHsNH2,nHssNH,nHaaNH,nHsNH3p,nHssNH2p,nHsssNHp,nHtCH,nHdCH2,nHdsCH,nHaaCH,nHCHnX,nHCsats,nHCsatu,nHAvin,nHother,nHmisc,nsLi,nssBe,nssssBem,nsBH2,nssBH,nsssB,nssssBm,nsCH3,ndCH2,nssCH2,ntCH,ndsCH,naaCH,nsssCH,nddC,ntsC,ndssC,naasC,naaaC,nssssC,nsNH3p,nsNH2,nssNH2p,ndNH,nssNH,naaNH,ntN,nsssNHp,ndsN,naaN,nsssN,nddsN,naasN,nssssNp,nsOH,ndO,nssO,naaO,naOm,nsOm,nsF,nsSiH3,nssSiH2,nsssSiH,nssssSi,nsPH2,nssPH,nsssP,ndsssP,nddsP,nsssssP,nsSH,ndS,nssS,naaS,ndssS,nddssS,nssssssS,nSm,nsCl,nsGeH3,nssGeH2,nsssGeH,nssssGe,nsAsH2,nssAsH,nsssAs,ndsssAs,nddsAs,nsssssAs,nsSeH,ndSe,nssSe,naaSe,ndssSe,nssssssSe,nddssSe,nsBr,nsSnH3,nssSnH2,nsssSnH,nssssSn,nsI,nsPbH3,nssPbH2,nsssPbH,nssssPb,SHBd,SwHBd,SHBa,SwHBa,SHBint2,SHBint3,SHBint4,SHBint5,SHBint6,SHBint7,SHBint8,SHBint9,SHBint10,SHsOH,SHdNH,SHsSH,SHsNH2,SHssNH,SHaaNH,SHsNH3p,SHssNH2p,SHsssNHp,SHtCH,SHdCH2,SHdsCH,SHaaCH,SHCHnX,SHCsats,SHCsatu,SHAvin,SHother,SHmisc,SsLi,SssBe,SssssBem,SsBH2,SssBH,SsssB,SssssBm,SsCH3,SdCH2,SssCH2,StCH,SdsCH,SaaCH,SsssCH,SddC,StsC,SdssC,SaasC,SaaaC,SssssC,SsNH3p,SsNH2,SssNH2p,SdNH,SssNH,SaaNH,StN,SsssNHp,SdsN,SaaN,SsssN,SddsN,SaasN,SssssNp,SsOH,SdO,SssO,SaaO,SaOm,SsOm,SsF,SsSiH3,SssSiH2,SsssSiH,SssssSi,SsPH2,SssPH,SsssP,SdsssP,SddsP,SsssssP,SsSH,SdS,SssS,SaaS,SdssS,SddssS,SssssssS,SSm,SsCl,SsGeH3,SssGeH2,SsssGeH,SssssGe,SsAsH2,SssAsH,SsssAs,SdsssAs,SddsAs,SsssssAs,SsSeH,SdSe,SssSe,SaaSe,SdssSe,SssssssSe,SddssSe,SsBr,SsSnH3,SssSnH2,SsssSnH,SssssSn,SsI,SsPbH3,SssPbH2,SsssPbH,SssssPb,minHBd,minwHBd,minHBa,minwHBa,minHBint2,minHBint3,minHBint4,minHBint5,minHBint6,minHBint7,minHBint8,minHBint9,minHBint10,minHsOH,minHdNH,minHsSH,minHsNH2,minHssNH,minHaaNH,minHsNH3p,minHssNH2p,minHsssNHp,minHtCH,minHdCH2,minHdsCH,minHaaCH,minHCHnX,minHCsats,minHCsatu,minHAvin,minHother,minHmisc,minsLi,minssBe,minssssBem,minsBH2,minssBH,minsssB,minssssBm,minsCH3,mindCH2,minssCH2,mintCH,mindsCH,minaaCH,minsssCH,minddC,mintsC,mindssC,minaasC,minaaaC,minssssC,minsNH3p,minsNH2,minssNH2p,mindNH,minssNH,minaaNH,mintN,minsssNHp,mindsN,minaaN,minsssN,minddsN,minaasN,minssssNp,minsOH,mindO,minssO,minaaO,minaOm,minsOm,minsF,minsSiH3,minssSiH2,minsssSiH,minssssSi,minsPH2,minssPH,minsssP,mindsssP,minddsP,minsssssP,minsSH,mindS,minssS,minaaS,mindssS,minddssS,minssssssS,minSm,minsCl,minsGeH3,minssGeH2,minsssGeH,minssssGe,minsAsH2,minssAsH,minsssAs,mindsssAs,minddsAs,minsssssAs,minsSeH,mindSe,minssSe,minaaSe,mindssSe,minssssssSe,minddssSe,minsBr,minsSnH3,minssSnH2,minsssSnH,minssssSn,minsI,minsPbH3,minssPbH2,minsssPbH,minssssPb,maxHBd,maxwHBd,maxHBa,maxwHBa,maxHBint2,maxHBint3,maxHBint4,maxHBint5,maxHBint6,maxHBint7,maxHBint8,maxHBint9,maxHBint10,maxHsOH,maxHdNH,maxHsSH,maxHsNH2,maxHssNH,maxHaaNH,maxHsNH3p,maxHssNH2p,maxHsssNHp,maxHtCH,maxHdCH2,maxHdsCH,maxHaaCH,maxHCHnX,maxHCsats,maxHCsatu,maxHAvin,maxHother,maxHmisc,maxsLi,maxssBe,maxssssBem,maxsBH2,maxssBH,maxsssB,maxssssBm,maxsCH3,maxdCH2,maxssCH2,maxtCH,maxdsCH,maxaaCH,maxsssCH,maxddC,maxtsC,maxdssC,maxaasC,maxaaaC,maxssssC,maxsNH3p,maxsNH2,maxssNH2p,maxdNH,maxssNH,maxaaNH,maxtN,maxsssNHp,maxdsN,maxaaN,maxsssN,maxddsN,maxaasN,maxssssNp,maxsOH,maxdO,maxssO,maxaaO,maxaOm,maxsOm,maxsF,maxsSiH3,maxssSiH2,maxsssSiH,maxssssSi,maxsPH2,maxssPH,maxsssP,maxdsssP,maxddsP,maxsssssP,maxsSH,maxdS,maxssS,maxaaS,maxdssS,maxddssS,maxssssssS,maxSm,maxsCl,maxsGeH3,maxssGeH2,maxsssGeH,maxssssGe,maxsAsH2,maxssAsH,maxsssAs,maxdsssAs,maxddsAs,maxsssssAs,maxsSeH,maxdSe,maxssSe,maxaaSe,maxdssSe,maxssssssSe,maxddssSe,maxsBr,maxsSnH3,maxssSnH2,maxsssSnH,maxssssSn,maxsI,maxsPbH3,maxssPbH2,maxsssPbH,maxssssPb,sumI,meanI,hmax,gmax,hmin,gmin,LipoaffinityIndex,MAXDN,MAXDP,DELS,MAXDN2,MAXDP2,DELS2,ETA_Alpha,ETA_AlphaP,ETA_dAlpha_A,ETA_dAlpha_B,ETA_Epsilon_1,ETA_Epsilon_2,ETA_Epsilon_3,ETA_Epsilon_4,ETA_Epsilon_5,ETA_dEpsilon_A,ETA_dEpsilon_B,ETA_dEpsilon_C,ETA_dEpsilon_D,ETA_Psi_1,ETA_dPsi_A,ETA_dPsi_B,ETA_Shape_P,ETA_Shape_Y,ETA_Shape_X,ETA_Beta,ETA_BetaP,ETA_Beta_s,ETA_BetaP_s,ETA_Beta_ns,ETA_BetaP_ns,ETA_dBeta,ETA_dBetaP,ETA_Beta_ns_d,ETA_BetaP_ns_d,ETA_Eta,ETA_EtaP,ETA_Eta_R,ETA_Eta_F,ETA_EtaP_F,ETA_Eta_L,ETA_EtaP_L,ETA_Eta_R_L,ETA_Eta_F_L,ETA_EtaP_F_L,ETA_Eta_B,ETA_EtaP_B,ETA_Eta_B_RC,ETA_EtaP_B_RC,FMF,fragC,nHBAcc,nHBAcc2,nHBAcc3,nHBAcc_Lipinski,nHBDon,nHBDon_Lipinski,HybRatio,IC0,IC1,IC2,IC3,IC4,IC5,TIC0,TIC1,TIC2,TIC3,TIC4,TIC5,SIC0,SIC1,SIC2,SIC3,SIC4,SIC5,CIC0,CIC1,CIC2,CIC3,CIC4,CIC5,BIC0,BIC1,BIC2,BIC3,BIC4,BIC5,MIC0,MIC1,MIC2,MIC3,MIC4,MIC5,ZMIC0,ZMIC1,ZMIC2,ZMIC3,ZMIC4,ZMIC5,Kier1,Kier2,Kier3,nAtomLC,nAtomP,nAtomLAC,MLogP,McGowan_Volume,MDEC-11,MDEC-12,MDEC-13,MDEC-14,MDEC-22,MDEC-23,MDEC-24,MDEC-33,MDEC-34,MDEC-44,MDEO-11,MDEO-12,MDEO-22,MDEN-11,MDEN-12,MDEN-13,MDEN-22,MDEN-23,MDEN-33,MLFER_A,MLFER_BH,MLFER_BO,MLFER_S,MLFER_E,MLFER_L,MPC2,MPC3,MPC4,MPC5,MPC6,MPC7,MPC8,MPC9,MPC10,TPC,piPC1,piPC2,piPC3,piPC4,piPC5,piPC6,piPC7,piPC8,piPC9,piPC10,TpiPC,R_TpiPCTPC,PetitjeanNumber,nRing,n3Ring,n4Ring,n5Ring,n6Ring,n7Ring,n8Ring,n9Ring,n10Ring,n11Ring,n12Ring,nG12Ring,nFRing,nF4Ring,nF5Ring,nF6Ring,nF7Ring,nF8Ring,nF9Ring,nF10Ring,nF11Ring,nF12Ring,nFG12Ring,nTRing,nT4Ring,nT5Ring,nT6Ring,nT7Ring,nT8Ring,nT9Ring,nT10Ring,nT11Ring,nT12Ring,nTG12Ring,nHeteroRing,n3HeteroRing,n4HeteroRing,n5HeteroRing,n6HeteroRing,n7HeteroRing,n8HeteroRing,n9HeteroRing,n10HeteroRing,n11HeteroRing,n12HeteroRing,nG12HeteroRing,nFHeteroRing,nF4HeteroRing,nF5HeteroRing,nF6HeteroRing,nF7HeteroRing,nF8HeteroRing,nF9HeteroRing,nF10HeteroRing,nF11HeteroRing,nF12HeteroRing,nFG12HeteroRing,nTHeteroRing,nT4HeteroRing,nT5HeteroRing,nT6HeteroRing,nT7HeteroRing,nT8HeteroRing,nT9HeteroRing,nT10HeteroRing,nT11HeteroRing,nT12HeteroRing,nTG12HeteroRing,nRotB,RotBFrac,nRotBt,RotBtFrac,LipinskiFailures,topoRadius,topoDiameter,topoShape,GGI1,GGI2,GGI3,GGI4,GGI5,GGI6,GGI7,GGI8,GGI9,GGI10,JGI1,JGI2,JGI3,JGI4,JGI5,JGI6,JGI7,JGI8,JGI9,JGI10,JGT,SpMax_D,SpDiam_D,SpAD_D,SpMAD_D,EE_D,VE1_D,VE2_D,VE3_D,VR1_D,VR2_D,VR3_D,TopoPSA,VABC,VAdjMat,MWC2,MWC3,MWC4,MWC5,MWC6,MWC7,MWC8,MWC9,MWC10,TWC,SRW2,SRW3,SRW4,SRW5,SRW6,SRW7,SRW8,SRW9,SRW10,TSRW,MW,AMW,WTPT-1,WTPT-2,WTPT-3,WTPT-4,WTPT-5,WPATH,WPOL,XLogP,Zagreb,TDB1u,TDB2u,TDB3u,TDB4u,TDB5u,TDB6u,TDB7u,TDB8u,TDB9u,TDB10u,TDB1m,TDB2m,TDB3m,TDB4m,TDB5m,TDB6m,TDB7m,TDB8m,TDB9m,TDB10m,TDB1v,TDB2v,TDB3v,TDB4v,TDB5v,TDB6v,TDB7v,TDB8v,TDB9v,TDB10v,TDB1e,TDB2e,TDB3e,TDB4e,TDB5e,TDB6e,TDB7e,TDB8e,TDB9e,TDB10e,TDB1p,TDB2p,TDB3p,TDB4p,TDB5p,TDB6p,TDB7p,TDB8p,TDB9p,TDB10p,TDB1i,TDB2i,TDB3i,TDB4i,TDB5i,TDB6i,TDB7i,TDB8i,TDB9i,TDB10i,TDB1s,TDB2s,TDB3s,TDB4s,TDB5s,TDB6s,TDB7s,TDB8s,TDB9s,TDB10s,TDB1r,TDB2r,TDB3r,TDB4r,TDB5r,TDB6r,TDB7r,TDB8r,TDB9r,TDB10r,PPSA-1,PPSA-2,PPSA-3,PNSA-1,PNSA-2,PNSA-3,DPSA-1,DPSA-2,DPSA-3,FPSA-1,FPSA-2,FPSA-3,FNSA-1,FNSA-2,FNSA-3,WPSA-1,WPSA-2,WPSA-3,WNSA-1,WNSA-2,WNSA-3,RPCG,RNCG,RPCS,RNCS,THSA,TPSA,RHSA,RPSA,GRAV-1,GRAV-2,GRAV-3,GRAVH-1,GRAVH-2,GRAVH-3,GRAV-4,GRAV-5,GRAV-6,LOBMAX,LOBMIN,MOMI-X,MOMI-Y,MOMI-Z,MOMI-XY,MOMI-XZ,MOMI-YZ,MOMI-R,geomRadius,geomDiameter,geomShape,RDF10u,RDF15u,RDF20u,RDF25u,RDF30u,RDF35u,RDF40u,RDF45u,RDF50u,RDF55u,RDF60u,RDF65u,RDF70u,RDF75u,RDF80u,RDF85u,RDF90u,RDF95u,RDF100u,RDF105u,RDF110u,RDF115u,RDF120u,RDF125u,RDF130u,RDF135u,RDF140u,RDF145u,RDF150u,RDF155u,RDF10m,RDF15m,RDF20m,RDF25m,RDF30m,RDF35m,RDF40m,RDF45m,RDF50m,RDF55m,RDF60m,RDF65m,RDF70m,RDF75m,RDF80m,RDF85m,RDF90m,RDF95m,RDF100m,RDF105m,RDF110m,RDF115m,RDF120m,RDF125m,RDF130m,RDF135m,RDF140m,RDF145m,RDF150m,RDF155m,RDF10v,RDF15v,RDF20v,RDF25v,RDF30v,RDF35v,RDF40v,RDF45v,RDF50v,RDF55v,RDF60v,RDF65v,RDF70v,RDF75v,RDF80v,RDF85v,RDF90v,RDF95v,RDF100v,RDF105v,RDF110v,RDF115v,RDF120v,RDF125v,RDF130v,RDF135v,RDF140v,RDF145v,RDF150v,RDF155v,RDF10e,RDF15e,RDF20e,RDF25e,RDF30e,RDF35e,RDF40e,RDF45e,RDF50e,RDF55e,RDF60e,RDF65e,RDF70e,RDF75e,RDF80e,RDF85e,RDF90e,RDF95e,RDF100e,RDF105e,RDF110e,RDF115e,RDF120e,RDF125e,RDF130e,RDF135e,RDF140e,RDF145e,RDF150e,RDF155e,RDF10p,RDF15p,RDF20p,RDF25p,RDF30p,RDF35p,RDF40p,RDF45p,RDF50p,RDF55p,RDF60p,RDF65p,RDF70p,RDF75p,RDF80p,RDF85p,RDF90p,RDF95p,RDF100p,RDF105p,RDF110p,RDF115p,RDF120p,RDF125p,RDF130p,RDF135p,RDF140p,RDF145p,RDF150p,RDF155p,RDF10i,RDF15i,RDF20i,RDF25i,RDF30i,RDF35i,RDF40i,RDF45i,RDF50i,RDF55i,RDF60i,RDF65i,RDF70i,RDF75i,RDF80i,RDF85i,RDF90i,RDF95i,RDF100i,RDF105i,RDF110i,RDF115i,RDF120i,RDF125i,RDF130i,RDF135i,RDF140i,RDF145i,RDF150i,RDF155i,RDF10s,RDF15s,RDF20s,RDF25s,RDF30s,RDF35s,RDF40s,RDF45s,RDF50s,RDF55s,RDF60s,RDF65s,RDF70s,RDF75s,RDF80s,RDF85s,RDF90s,RDF95s,RDF100s,RDF105s,RDF110s,RDF115s,RDF120s,RDF125s,RDF130s,RDF135s,RDF140s,RDF145s,RDF150s,RDF155s,L1u,L2u,L3u,P1u,P2u,E1u,E2u,E3u,Tu,Au,Vu,Ku,Du,L1m,L2m,L3m,P1m,P2m,E1m,E2m,E3m,Tm,Am,Vm,Km,Dm,L1v,L2v,L3v,P1v,P2v,E1v,E2v,E3v,Tv,Av,Vv,Kv,Dv,L1e,L2e,L3e,P1e,P2e,E1e,E2e,E3e,Te,Ae,Ve,Ke,De,L1p,L2p,L3p,P1p,P2p,E1p,E2p,E3p,Tp,Ap,Vp,Kp,Dp,L1i,L2i,L3i,P1i,P2i,E1i,E2i,E3i,Ti,Ai,Vi,Ki,Di,L1s,L2s,L3s,P1s,P2s,E1s,E2s,E3s,Ts,As,Vs,Ks,Ds +UMLCP0001,L,CCCCCCOCCOCCOCCO,C6E3,40.5,0,-1.9421,3.77175241,57.9524,41.664618,0,0,42,16,26,0,12,0,4,0,0,0,0,0,0,0,2781.45912,2818.065083,3006.640546,2884.013913,2547.42594,2421.223163,2250.178338,1901.694161,1765.469848,6755.943284,8457.670768,10568.13303,10472.85807,9843.453942,9082.459403,7958.05594,7320.27296,6831.310087,318.57312,317.973284,591.675136,705.943692,612.203136,651.919964,550.373208,466.731428,463.897984,47.59955153,60.05995574,80.46951901,85.26819768,81.80249638,74.24519828,64.06283999,59.90624107,55.95978842,7071.196369,6101.006117,12348.55742,15694.13817,13819.27807,14784.30009,12206.95699,10471.41555,10408.74465,127.5,104.25,177,207.75,148.5,172.25,168,117.75,125.5,66.22521714,68.73329471,39.56105982,31.01090229,30.32649929,27.8301513,31.25247692,30.1856216,28.47532013,160.8557925,206.2846529,139.054382,112.6113771,117.1839755,104.3960851,110.5285547,116.1948089,110.1824208,7.585074286,7.755445951,7.785199158,7.590792387,7.288132571,7.49333292,7.644072333,7.408435365,7.482225548,1.133322655,1.464876969,1.058809461,0.916862341,0.973839243,0.853393084,0.889761666,0.950892715,0.902577233,168.3618183,148.8050272,162.4810186,168.7541739,164.5152151,169.9344838,169.5410693,166.2129452,167.8829782,3.035714286,2.542682927,2.328947368,2.233870968,1.767857143,1.979885057,2.333333333,1.869047619,2.024193548,0.725002655,-0.195522233,-0.370855207,0.310700932,-0.055234466,-0.193343765,0.22807508,-0.073367468,-0.098944552,1473.998146,17.35135239,-615.2757995,-31.56749892,88.25932057,67.00718912,-33.9233482,-14.99577729,-92.82260261,1918.376296,-240.0929431,-688.4725579,106.0959276,-272.6135883,163.9511953,73.0678016,-62.05853774,-98.49328304,3.911177143,-0.107741306,-1.554437878,1.387479755,0.276530286,-0.780685796,0.662641469,-0.290834857,-0.554492735,8.382617759,-2.067654323,-2.56413127,2.017504035,-2.502612554,0.301701088,1.259362,-0.596657122,-0.571905313,46.96542912,-13.0510694,-13.71889245,14.3811856,-15.74640383,0.484516451,8.824420199,-3.948745009,-3.602885687,38.9047619,-2.430839002,-12.70861678,8.87755102,3.261904762,-5.87414966,6.163265306,-0.619047619,-5.145124717,0.017261968,-0.004768835,-0.004879674,0.00334087,-6.58E-04,-0.002222342,0.003167709,-0.001164563,-0.00159588,35.09519396,0.423203717,-8.095734204,-0.339435472,1.050706197,0.770197576,-0.471157614,-0.238028211,-1.497138752,45.67562609,-5.85592544,-9.058849446,1.140816425,-3.245399861,1.884496498,1.014830578,-0.985056155,-1.588601339,0.093123265,-0.002627837,-0.02045313,0.014919137,0.003292027,-0.0089734,0.009203354,-0.004616426,-0.008943431,0.199586137,-0.050430593,-0.033738569,0.021693592,-0.029793007,0.003467829,0.017491139,-0.009470748,-0.009224279,1.118224503,-0.318318766,-0.180511743,0.154636404,-0.187457188,0.005569155,0.122561392,-0.062678492,-0.058111059,0.926303855,-0.059288756,-0.167218642,0.095457538,0.0388322,-0.067518962,0.085600907,-0.009826153,-0.082985883,-0.276262531,-0.282683514,0.19353936,-0.038092596,-0.128742107,0.183508013,-0.067464092,-0.092450633,0.012058737,-0.230679284,-0.009671851,0.029938749,0.021945956,-0.013425132,-0.006782359,-0.042659367,-0.128206791,-0.198330055,0.024976481,-0.07105321,0.041258252,0.022218208,-0.021566342,-0.034780067,-0.028218907,-0.219635017,0.160208484,0.035351286,-0.096360452,0.098829801,-0.049573286,-0.096038634,-0.252675832,-0.169042649,0.108692879,-0.149273928,0.017375098,0.087637043,-0.047451933,-0.046217034,-0.284664453,-0.161427104,0.13828744,-0.167638241,0.004980355,0.109603565,-0.056051796,-0.051967256,-0.064005732,-0.180522451,0.103052079,0.041921665,-0.072890727,0.092411261,-0.010607915,-0.089588187,1.263838279,1.549994749,0.892705439,0.659113718,1.122663754,1.026145188,0.920106233,1.058060648,1.140676236,1.349380278,1.016029376,0.869078414,0.949548071,1.041540205,0.95314044,1.015021226,1.551513468,1.274423118,0.914241573,1.117812477,0.867341037,0.89393368,1.024771156,0.992460653,0.957766898,1.54258265,0.97646284,0.574544066,1.15054677,1.143263951,0.8847218,1.08567422,1.816428765,1.279026247,0.820492987,1.217326641,0.868782466,0.810680274,1.058861698,0.99798718,1.869312177,1.291056814,0.795877293,1.224414317,0.880499498,0.796564217,1.06312751,1.003304022,1.00244798,1.244520228,0.818721128,0.439106487,0.975119234,0.966034272,0.635658915,1.079352075,154.095571,77.54778549,122.3539334,154.970571,9.685660686,77.54778549,1,0.076651862,0.004790741,-4.109570212,116.8958055,7.305987844,7.618052779,154.1629029,77.57998261,122.4070412,155.0353324,9.689708277,77.57998261,0.997062316,0.076384535,0.004774033,-4.115160046,116.8635673,7.303972958,7.617611461,213.9444937,106.1742579,170.0946741,212.548013,13.28425081,106.1742579,-1.595977912,0.081364987,0.005085312,-4.014096377,142.076252,8.879765747,7.930182239,154.2335694,77.61377432,122.4627815,155.1033012,9.693956327,77.61377432,0.993979201,0.076104285,0.004756518,-4.121041138,116.8299795,7.30187372,7.617151538,277.4046562,136.5377396,221.2403141,273.6166262,17.10103914,136.5377396,-4.329177057,0.162043618,0.010127726,-2.911823574,131.1906682,8.199416765,7.802642796,161.1488806,80.92070866,127.9280285,161.7548502,10.10967814,80.92070866,0.692536744,0.050169987,0.003135624,-4.787741292,114.5918568,7.161991048,7.58620279,130.2462967,66.01912132,103.8384145,131.7450879,8.234067993,66.01912132,2.345238095,0.221450484,0.013840655,-2.41209002,302.3140395,18.89462747,9.138346149,0,11.99621895,15.99928932,-0.418359037,0.092506718,3.720029855,7.102242438,15,41,41,41,15,0,0,0,0,0,34.171382,3.498930801,3.423775741,3.284957348,3.110903865,2.924120231,2.594117895,2.360830461,2.092716558,1.883812953,1.712532267,1.647259171,1.567273269,1.449713164,1.245677428,0.923949658,0.874248206,3.484662109,3.335719886,3.212476379,3.079501324,2.920658356,2.571120014,2.200406761,2.042806734,1.833281003,1.733328069,1.634479376,1.528229456,1.396956854,1.161723899,0.893202676,0.808122268,3.637472074,3.557910425,3.432927829,3.287106594,3.128840286,2.830581169,2.587577666,2.400898462,1.636728466,1.471490801,1.371569417,1.265964659,1.123803838,0.836277323,0.458807101,0.379578897,3.50074937,3.318483287,3.207479371,3.090405372,2.937485275,2.597821414,2.176050873,2.063296097,1.807515496,1.736989506,1.627159835,1.501368372,1.361255201,1.11197022,0.890706364,0.754283674,3.688163922,3.590137618,3.475058849,3.347869261,3.201560521,2.920996673,2.644750654,2.51026449,1.581650026,1.435590774,1.322585036,1.202249678,1.052496686,0.740776491,0.381527086,0.264569841,4.528287587,3.800247506,3.648203976,3.497647982,3.342713429,3.058938999,2.749827586,2.522994522,1.705596233,1.455779477,1.382732223,1.30148688,1.194666615,0.915955724,0.530850116,0.438013933,0,0,0,0,0,8,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.89949494,7.914213562,5.242640687,3.457106781,2.267766953,1.478553391,0.957106781,0.614276695,0.743718434,0.527614237,0.374474335,0.265931291,0.188980579,0.134413945,0.095710678,0.068252966,10.45013306,6.255385355,3.621384277,2.121870121,1.237339041,0.688926593,0.357189014,0.20768118,0.653133316,0.41702569,0.258670305,0.163220779,0.103111587,0.06262969,0.035718901,0.023075687,21.90295787,41.86453023,39.82745098,40.48,24.30216647,325.2427054,0.521498997,0.996774529,0.948272642,0.963809524,0.578623011,7.743873938,1.6088,63.6848,88.53836828,140.5818027,177.0767366,11.06729603,88.53836828,7.22E-16,4.51E-17,-55.78399743,114.9126073,7.182037958,7.590675045,338,1,0,4,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,1,0,11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.70856163,0,24.15917685,0,0,3.570431362,0,0,3.738578648,0,0,3.82772727,0,0.70856163,0,0,0,0,0,0,0,0,0,0,0,0,0,5.625348356,0,0,0,0,0,0,0,0,0,0,0,2.201944496,0,8.638878653,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.441789949,0,15.7173869,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.70856163,0,5.038984912,0,0,3.570431362,0,0,3.738578648,0,0,3.82772727,0,0.70856163,0,0,0,0,0,0,0,0,0,0,0,0,0,0.240231573,0,0,0,0,0,0,0,0,0,0,0,2.201944496,0,0.070308642,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.441789949,0,5.038984912,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.70856163,0,8.441789949,0,0,3.570431362,0,0,3.738578648,0,0,3.82772727,0,0.70856163,0,0,0,0,0,0,0,0,0,0,0,0,0,0.628888889,0,0,0,0,0,0,0,0,0,0,0,2.201944496,0,1.293706335,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.441789949,0,5.402109158,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,35,2.1875,0.70856163,8.441789949,0.03134338,0.070308642,5.115179533,1.429691358,2.441789949,15.72224269,1.429691358,2.441789949,15.72224269,7.33332,0.45833,0,0.04167,0.5254,0.89167,0.428,0.5254,0.85686,0.0974,0,-0.0974,0.0348,0.51402,0.20027,0,0.11364,0,0,9.25,0.57813,9.25,0.57813,0,0,-9.25,-0.57813,0,0,15.44891,0.96556,20.42601,4.9771,0.31107,6.0648,0.37905,7.91421,1.84941,0.11559,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,15.04,4,4,4,4,1,1,1,1.267770216,1.856537025,3.001308271,3.821503888,4.0979239,4.365664673,53.24634908,77.97455506,126.0549474,160.5031633,172.1128038,183.3579163,0.235106748,0.344292978,0.556589688,0.708694164,0.759955985,0.80960825,4.124547207,3.535780398,2.391009152,1.570813535,1.294393523,1.026652749,0.236632368,0.346527112,0.560201426,0.713292915,0.764887377,0.814861838,11.79590482,17.5693563,22.39809508,25.15245984,26.9940196,28.31806321,58.65430026,45.43914367,36.8674074,29.12581801,25.01714898,21.93523349,16,15,15.07692308,16,0,6,2.34,2.0342,0,2.006355263,0,0,13.05076977,0,0,0,0,0,0,0.550321208,0.793700526,0,0,0,0,0,0,0.259,1.018,1.053,0.937,0.276,7.62,14,13,12,11,10,9,8,7,6,121,2.772588722,2.708050201,2.63905733,2.564949357,2.48490665,2.397895273,2.302585093,2.197224577,2.079441542,1.945910149,4.804021045,1,0.466666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13,0.866666667,15,1,1,8,15,0.875,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.033333333,0.015873016,0.009615385,0.006666667,0.005050505,0.004081633,0.003472222,0.00308642,0.002857143,0.002754821,0.100373307,88.53836828,140.5818027,177.0767366,11.06729603,88.53836828,7.22E-16,4.51E-17,-55.78399743,114.9126073,7.182037958,7.590675045,47.92,251.269181,5,4.077537444,4.727387819,5.38907173,6.052089169,6.720220155,7.38832786,8.059276223,8.729882285,9.402364704,91.54615739,3.433987204,0,4.465908119,0,5.624017506,0,6.840546529,0,8.089789176,8.434463544,234.1831093,5.575788317,30.8284376,1.92677735,11.32022791,11.32022791,0,680,13,1.419,58,1.238170732,2.119030153,2.836451611,3.609436411,4.810149295,5.861908198,7.065918227,8.082234226,9.31979148,10.41078083,97.45567777,91.6319372,106.272712,137.9860339,158.9595155,214.3373273,242.4162642,261.1659536,288.6070022,305.0587636,278.0712306,311.4708505,351.3372067,491.7030811,553.5811784,713.9641944,884.3799788,962.7416614,1038.450307,1210.833134,9.690637443,16.5625206,21.68356316,26.71766349,36.3571923,45.3976103,52.75833807,60.96796691,70.56252481,77.54436519,1.917374689,2.334478783,2.757878134,3.898839035,4.364597653,5.561929532,7.043473086,7.684783874,8.400750007,9.887130314,182.5573741,341.4770588,475.7315969,580.9793431,809.5156103,983.6067381,1165.397464,1344.119065,1572.771387,1739.243768,3.277957317,5.048732803,6.70850101,6.976859815,10.00288093,14.68240062,13.80497949,17.09634879,21.69759434,19.9953235,0.4496376,0.572207557,0.662341266,0.90977626,1.077176765,1.371697583,1.67104561,1.862881246,2.047018125,2.334434012,640.2068082,1138.889936,30.76701759,219.5703448,-390.6026188,-41.27631377,420.6364634,1529.492555,72.04333136,0.74461947,1.324633868,0.035784875,0.25538053,-0.454306814,-0.048008154,550.4351869,979.1915466,26.45277879,188.7815659,-335.8312076,-35.48843154,0.117953561,0.221129096,2.095327618,10.24604159,755.7221883,104.0549647,0.878974494,0.121025506,1180.411845,34.35712219,10.56844731,1440.61868,37.95548287,11.29404934,2015.971966,44.89957645,12.63266064,4.380121075,4.380121075,7099.046126,7051.364035,87.6745037,1.006762109,80.97047404,80.42662047,6.628264891,9.329005735,18.4169653,0.974161644,7.686851821,10.26750545,14.44969674,37.62080755,8.962672248,4.573586253,20.10791546,18.57828466,14.74679325,0.729405431,17.56167248,6.01969796,27.50504298,3.033905356,3.514176751,17.77177668,3.834645194,19.21953965,0.027045611,9.68553142,5.781675687,3.967277172,9.89987926,3.394028257,11.07695251,0.197443454,5.026368144,0.133986584,1.476116093,7.962824094,0.665009976,11.15654631,1.465443354,6.543009076,0.065503575,5.6116329,1.577080371,2.280546909,2.692483116,0.023858363,5.434563742,0.217515357,8.569229303,0.12103754,0.898325583,3.126808026,0.109549096,3.629798871,0.002340734,4.435155466,0.273551379,1.050422882,2.003460227,0.126051943,3.202182296,0.014874125,1.116935378,0.029112889,0.154652105,2.1852892,2.027282126,9.502913426,2.869159134,9.553724598,0.663904765,3.336556423,4.568746666,2.766663751,4.144462943,0.101334868,5.980716984,0.858627631,8.960244555,0.302794856,0.977275343,4.890198634,0.480879311,5.322986181,0.007359742,3.908727704,0.687253,1.006928435,3.191325285,0.511514357,4.240372429,0.048733041,1.05098575,0.024960767,0.307486388,3.199818229,7.478719366,11.15335283,17.12802665,35.54266493,7.987249234,6.060714383,19.3838308,17.35566373,14.35687003,0.662672666,17.95047829,5.520023957,27.49646863,2.74153073,4.090699605,17.23830514,3.468997843,19.2954878,0.025578788,10.05705262,5.254104811,4.726750893,9.397750992,3.094348457,11.05749382,0.185094381,5.305887994,0.128948606,1.751808663,7.799976431,2.920939702,8.874532256,3.210504285,12.50721526,1.436239455,2.828359027,6.682299488,3.97209299,5.276717019,0.17427738,6.788773179,1.447933471,10.7035499,0.551771228,1.007427212,6.295420485,0.851301796,6.63335772,0.010798508,4.272406704,1.185268345,0.952734336,4.104573874,0.859735682,5.03176424,0.072979461,1.151707566,0.030236468,0.346221524,3.889183981,9.463617003,10.82872828,20.5342919,49.85455255,13.06349357,5.609017437,25.83943415,26.18143555,19.31146553,1.003215119,22.44566677,8.276903216,35.24217008,4.359232754,4.767713613,23.2277783,5.344814244,25.18863019,0.03269999,12.21653823,8.167759456,5.60776229,12.42254456,4.616731003,13.60883641,0.244666232,7.100756444,0.187959534,2.078177094,9.582041155,6.379820325,14.00466645,20.19571075,24.39192858,3.777826214,14.37705954,13.6112425,11.51156074,10.92330138,0.357721409,16.87699318,3.519387869,29.24773742,1.478175092,4.774181679,12.87990139,1.822385741,17.0204968,0.022856083,14.69035916,2.933973134,7.053395342,7.027399377,1.707532383,10.40604171,0.155781293,6.373861356,0.110463703,1.89694471,7.487780492,32.11513453,0.777866267,0.472403575,0.962527958,0.023313557,0.574957085,0.655824251,0.571421765,33.36540437,40.52005098,85.68670124,0.943791937,1.802203102,30.6976287,0.290275018,0.08534616,0.987911751,0.009341637,0.525431581,0.091505805,0.01865084,31.07324988,11.55545331,43.38920189,0.981867627,0.635588226,30.99351589,0.496194476,0.245409285,0.976631449,0.0156355,0.535571069,0.267488712,0.154209954,31.73511966,23.10667868,58.61590143,0.964947174,0.957269735,32.10910011,0.74512346,0.447353365,0.964191581,0.02237502,0.574743295,0.601876025,0.51242681,33.30157693,38.62269121,82.62730644,0.946287371,1.68904613,31.22770719,0.598594017,0.325980811,0.971243882,0.018617466,0.54367321,0.389225236,0.272091201,32.15228202,29.06748215,67.31323176,0.956865822,1.204989647,32.27259341,0.807465597,0.496738264,0.961157586,0.024048321,0.580601263,0.706235963,0.631808781,33.57679727,42.49113997,89.01244408,0.941736379,1.918646008,32.41942244,0.754592752,0.454949675,0.964032719,0.022438774,0.585899472,0.616943709,0.529977151,33.62896487,39.55596863,84.31457722,0.946049079,1.732820332 +UMLCP0002,L,CCCCCCOCCOCCOCCOCCO,C6E4,63.8,0,-2.073,4.297329,68.9959,48.65379,0,0,49,19,30,0,14,0,5,0,0,0,0,0,0,0,3330.019619,3395.085534,3650.201093,3545.510732,3176.938999,3070.880094,2911.675157,2531.20722,2415.126779,7943.702842,9945.59314,12446.27742,12447.61861,11914.65776,11147.10625,9932.816486,9391.476775,8895.956936,373.879724,374.052096,699.075548,827.605496,723.626332,799.63116,672.035012,578.154624,611.60918,55.59900715,69.98171298,93.41957401,99.86090248,97.95688248,89.8629307,78.65554479,76.06062717,71.57752085,8249.906975,7146.977321,14505.10103,18226.07607,16217.41007,18050.34962,14738.8949,12869.54755,13674.79418,148.25,123,211.75,248.5,177.25,213,208.75,146.5,166.25,67.95958406,70.73094863,41.01349543,32.82880307,32.09029292,28.97056692,33.46753054,32.45137462,29.81637999,162.1163845,207.1998571,139.8458137,115.2557279,120.3500784,105.1613797,114.1703044,120.4035484,109.8266288,7.630198449,7.792752,7.854781438,7.663013852,7.309356889,7.543690189,7.724540368,7.412238769,7.550730617,1.134673615,1.457952354,1.049658135,0.924637986,0.989463459,0.847763497,0.904086722,0.975136246,0.883673097,168.3654485,148.8953609,162.9786633,168.7599636,163.8122229,170.2863171,169.412585,164.9941994,168.8246195,3.025510204,2.5625,2.379213483,2.300925926,1.79040404,2.009433962,2.399425287,1.878205128,2.052469136,0.890101979,-0.227048257,-0.483758907,0.404107017,-0.056406451,-0.285577867,0.321481104,-0.074540733,-0.191195927,1748.378082,42.2683644,-734.2817666,-68.22800617,113.3726383,108.5897036,-71.20894665,7.865670791,-56.66039712,2234.326732,-294.8461574,-761.8363235,138.2139509,-402.0587543,274.9361798,105.4694623,-189.7611346,7.23717831,4.833669388,-0.132422421,-2.119382357,1.736645431,0.4206794,-1.145211818,1.00415125,-0.180580985,-0.917817723,9.758775909,-2.67318008,-2.779360017,2.751129337,-3.574504782,0.646449735,1.993767901,-1.66457529,-0.232823832,54.80183569,-16.99517386,-14.95317405,19.58821606,-22.37628123,1.905890684,14.0311358,-10.58019518,-2.179548375,43.91836735,-2.430237401,-16.07621824,10.05747605,4.277176177,-7.813202832,7.308204915,0.313619325,-7.109954186,0.018165347,-0.004730172,-0.005435493,0.003741732,-5.70E-04,-0.002694131,0.003695185,-9.56E-04,-0.002360444,35.68118534,0.880590925,-8.250356929,-0.631740798,1.145178165,1.024431166,-0.81849364,0.100841933,-0.699511076,45.59850474,-6.14262828,-8.559958691,1.279758804,-4.061199539,2.593737546,1.21229267,-2.432835059,0.08934788,0.098646314,-0.0027588,-0.023813285,0.01608005,0.004249287,-0.010803885,0.011541968,-0.002315141,-0.011331083,0.199158692,-0.055691252,-0.031228764,0.02547342,-0.036106109,0.006098582,0.022916872,-0.021340709,-0.002874368,1.11840481,-0.354066122,-0.168013192,0.181372371,-0.226023043,0.017980101,0.161277423,-0.135643528,-0.026908005,0.896293211,-0.050629946,-0.180631666,0.093124778,0.0432038,-0.073709461,0.084002355,0.004020761,-0.087777212,-0.260395364,-0.299223212,0.205981848,-0.031365333,-0.148311557,0.203419467,-0.052608433,-0.129942115,0.024679419,-0.231224295,-0.017705152,0.032094734,0.028710682,-0.022939082,0.002826193,-0.01960448,-0.134711178,-0.187724548,0.028065806,-0.089064314,0.056882075,0.026586237,-0.053353396,0.001959448,-0.027966584,-0.241400656,0.163007107,0.043075982,-0.109521427,0.117003545,-0.023469106,-0.114865752,-0.279632544,-0.156803421,0.127905137,-0.181293161,0.030621724,0.115068402,-0.107154293,-0.014432553,-0.316581366,-0.150225741,0.162170593,-0.202094126,0.016076559,0.144203084,-0.121283033,-0.024059271,-0.056488151,-0.201531891,0.103899904,0.048202752,-0.082238111,0.093721959,0.004485988,-0.09793359,1.253777013,1.612104806,0.921849277,0.642222776,1.172488727,1.044193228,0.846929739,1.156808976,1.109251391,1.355547766,1.0393493,0.86651999,0.952459424,1.069003503,0.935885875,1.006630661,1.549052836,1.251194247,0.91410399,1.156247137,0.847621978,0.89603371,1.089497407,0.936415572,0.955359506,1.596809141,1.008297711,0.554016101,1.187551857,1.159170658,0.793966653,1.170648292,1.843745646,1.253260764,0.80385552,1.276149314,0.847135681,0.790556311,1.161425826,0.938397796,1.902962878,1.268458129,0.776295716,1.285000551,0.861362465,0.771501219,1.169514013,0.948863881,0.990473978,1.310910154,0.862711689,0.441590627,1.005295644,0.992436867,0.602516443,1.086190279,215.1435208,108.1967604,170.554035,216.2619418,11.38220746,108.1967604,1.25,0.065961106,0.003471637,-5.165511019,184.5704971,9.714236688,9.914259828,215.2457953,108.2460616,170.6352462,216.3609308,11.38741741,108.2460616,1.246327895,0.0657279,0.003459363,-5.172240389,184.6776581,9.719876745,9.915362642,305.9397165,151.9723721,243.0613491,304.1547412,16.00814428,151.9723721,-1.99497239,0.068469886,0.003603678,-5.094586379,167.9243744,8.838124969,9.734676079,215.3531345,108.2978043,170.7204808,216.4648218,11.39288536,108.2978043,1.242474001,0.065483447,0.003446497,-5.179319974,184.7909406,9.725838981,9.916527757,402.0501287,198.3193287,320.1947985,397.2082859,20.90569926,198.3193287,-5.411471322,0.135378752,0.007125197,-3.799389833,144.7409855,7.617946604,9.452397092,225.8553777,113.3605243,179.0683649,226.6299254,11.92789081,113.3605243,0.865670929,0.042975013,0.002261843,-5.979559197,200.8954809,10.57344636,10.07529108,177.3655644,89.77345057,140.6451473,179.2404206,9.43370635,89.77345057,2.911564626,0.197559151,0.01039785,-3.081262757,355.8907752,18.73109343,11.16178536,0,11.9961959,15.99999758,-0.418371983,0.092775849,3.719709852,7.102735415,18,48,48,48,18,0,0,0,0,0,40.46021,3.501306045,3.448403619,3.347682012,3.210636173,3.057237639,2.891359125,2.59058124,2.39679491,1.883813517,1.722362696,1.669904979,1.609530741,1.524964689,1.426335408,1.24549774,0.923525765,3.484680626,3.353783981,3.263347669,3.149264961,3.031501333,2.88789539,2.570334155,2.219452191,1.833323687,1.748075569,1.674097282,1.582993228,1.486942569,1.367797057,1.160653315,0.899580936,3.638029598,3.57830002,3.486673453,3.366628918,3.239903548,3.096595208,2.827766515,2.607930985,1.636732512,1.48608413,1.41049415,1.320722405,1.220159445,1.094445747,0.835883293,0.465562916,3.500753421,3.334605123,3.251639351,3.151292803,3.042295403,2.906434143,2.597437818,2.188948063,1.808002549,1.754745211,1.673393427,1.568464017,1.458502767,1.33079481,1.109444475,0.902582193,3.688270781,3.60772789,3.52284795,3.414910987,3.303421678,3.170103406,2.919445735,2.657938414,1.581663302,1.452129741,1.368338163,1.264806866,1.15601074,1.021111452,0.740099152,0.394271906,4.540967678,3.825686027,3.721010492,3.575962956,3.464606758,3.302709207,3.058879077,2.778501508,1.702082495,1.464127139,1.405397068,1.342687571,1.260243698,1.175766135,0.912553392,0.527912204,0,0,0,0,0,10,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.02081528,9.414213562,6.303300859,4.207106781,2.798097039,1.853553391,1.222271824,0.801776695,0.737937646,0.523011865,0.370782403,0.262944174,0.186539803,0.132396671,0.09402091,0.066814725,12.27259491,7.332735624,4.233756712,2.493878589,1.457252244,0.813926593,0.433124925,0.252570774,0.645926048,0.407374201,0.249044512,0.155867412,0.09715015,0.058137614,0.033317302,0.021047565,25.70141258,48.97086672,46.62745098,47.4,28.37951497,379.4537365,0.524518624,0.999405443,0.951580632,0.967346939,0.579173775,7.743953807,1.6254,74.5038,125.0162005,198.3369899,250.0324011,13.15960006,125.0162005,7.77E-16,4.09E-17,-66.1026918,2000090.627,105267.9277,27.5665358,486,1,0,5,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,14,0,0,0,0,0,0,0,0,0,0,0,1,0,13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.705162079,0,29.60010348,0,0,3.558879562,0,0,3.723093632,0,0,3.778437953,0,0.705162079,0,0,0,0,0,0,0,0,0,0,0,0,0,6.992254752,0,0,0,0,0,0,0,0,0,0,0,2.203903102,0,9.695993419,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.47244891,0,21.12765457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.705162079,0,5.046895838,0,0,3.558879562,0,0,3.723093632,0,0,3.778437953,0,0.705162079,0,0,0,0,0,0,0,0,0,0,0,0,0,0.243001656,0,0,0,0,0,0,0,0,0,0,0,2.203903102,0,0.057098765,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.47244891,0,5.046895838,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.705162079,0,8.47244891,0,0,3.558879562,0,0,3.723093632,0,0,3.778437953,0,0.705162079,0,0,0,0,0,0,0,0,0,0,0,0,0,0.644513889,0,0,0,0,0,0,0,0,0,0,0,2.203903102,0,1.290890503,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.47244891,0,5.442734074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,41.5,2.184210526,0.705162079,8.47244891,0.016134473,0.057098765,5.625554968,1.442901235,2.47244891,19.60801316,1.442901235,2.47244891,19.60801316,8.66665,0.45614,0,0.04386,0.53333,0.90176,0.42881,0.53333,0.87167,0.10452,0,-0.10452,0.03009,0.50584,0.20845,0,0.09615,0,0,11.25,0.59211,11.25,0.59211,0,0,-11.25,-0.59211,0,0,19.01263,1.00066,25.65601,6.64339,0.34965,7.06108,0.37164,9.41421,2.35313,0.12385,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,18.05,5,5,5,5,1,1,1,1.285743982,1.8308165,2.890933885,3.648944152,3.936366355,4.235448437,63.00145511,89.71000849,141.6557604,178.7982634,192.8819514,207.5369734,0.228995624,0.326074998,0.514885714,0.649890066,0.701080993,0.754348587,4.328965862,3.783893344,2.723775959,1.965765692,1.678343489,1.379261407,0.230215329,0.32781178,0.517628164,0.653351594,0.704815181,0.758366495,12.00765674,17.42386863,21.82982895,24.51542754,26.52262346,28.19871556,69.81720534,55.47938874,46.72431372,38.26693671,32.93638307,28.05837998,19,18,18,19,0,6,2.45,2.3747,0,2.001584588,0,0,15.65268948,0,0,0,0,0,0,0.602401336,1.321802152,0,0,0,0,0,0,0.259,1.229,1.279,1.122,0.29,8.978,17,16,15,14,13,12,11,10,9,154,2.944438979,2.890371758,2.833213344,2.772588722,2.708050201,2.63905733,2.564949357,2.48490665,2.397895273,2.302585093,5.043425117,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,0.888888889,18,1,1,9,18,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.027777778,0.013071895,0.0078125,0.005333333,0.003968254,0.003139717,0.002604167,0.002244669,0.002,0.001836547,0.084040397,125.0162005,198.3369899,250.0324011,13.15960006,125.0162005,7.77E-16,4.09E-17,-66.1026918,2000090.627,105267.9277,27.5665358,57.15,294.651377,5.247927513,4.262679877,4.919980926,5.587248658,6.255750042,6.928537818,7.601402335,8.276649125,8.951699168,9.628326761,99.41227471,3.610917913,0,4.65396035,0,5.82008293,0,7.043159916,0,8.298290634,8.640472208,278.2093241,5.677741307,36.82842843,1.938338339,14.32008914,14.32008914,0,1140,16,1.229,70,1.2405,2.119129629,2.837264028,3.620745673,4.800865308,5.876296481,7.063019969,8.053840939,9.334468781,10.41791351,100.1692839,94.80427262,112.3909157,145.7866478,165.2017116,229.1050799,260.2455205,272.907056,322.9624238,346.7341585,279.2832841,312.8539427,359.7651292,505.0220614,557.0970597,737.7701004,915.2094425,957.7701019,1093.958251,1285.135911,9.762980197,16.71251418,21.90592854,26.89400259,36.54796145,46.00629678,52.79003249,61.35675029,71.85927455,77.69167998,1.907768032,2.312069909,2.783293216,3.962963191,4.328911406,5.659233055,7.21075688,7.500720199,8.623511034,10.30301582,183.1174254,342.6009904,475.9138615,580.4029138,809.6163747,985.6519567,1156.265049,1347.13077,1573.807146,1719.613352,3.317125,5.157041318,6.918798488,7.091564962,10.14138559,15.11984263,13.88713827,17.30028497,22.7037315,20.1880772,0.452213106,0.574963573,0.674279361,0.929718627,1.08227469,1.40513169,1.715612428,1.855465447,2.124099374,2.44265354,707.9192564,1525.501202,34.71719716,224.0130477,-482.7276139,-42.80083927,483.9062087,2008.228816,77.51803643,0.759625193,1.636922763,0.037252917,0.240374807,-0.517985708,-0.045926983,659.7328236,1421.66385,32.35407754,208.7649956,-449.8694574,-39.88748476,0.097374153,0.182548609,1.712522,6.929969917,823.6116129,108.3206912,0.88376764,0.11623236,1437.853212,37.91903496,11.28681788,1736.808191,41.67503078,12.02035478,2501.057406,50.01057294,13.57400131,4.770916544,4.770916544,11723.5244,11666.40619,103.7690913,1.004895956,112.9770364,112.4266007,7.395109477,11.46861438,21.88622914,0.908358622,8.802454226,11.98154473,17.96918028,43.66163531,9.501466112,5.954213293,25.39662577,23.19589009,16.25109954,0.729499317,24.04907655,6.118017125,39.37149216,3.034484895,3.825114908,21.69140525,4.134202481,22.16119964,0.027045611,15.89518601,6.019300412,6.626061035,10.79723286,3.397319615,16.44735427,0.244263497,19.13809877,0.133987563,3.804856249,11.2664675,0.758634995,13.12466276,1.838860889,7.282452473,0.069302095,7.461620577,1.925610044,3.104325539,2.789047271,0.023949811,6.89411101,0.218208487,12.49102284,0.12104165,1.29626054,3.356130696,0.119994169,4.081892468,0.002340734,8.409417374,0.275226021,2.658653835,2.012359589,0.129806154,3.838759605,0.020123802,4.321853307,0.02911297,0.847501114,2.218529156,2.329514411,10.99855883,3.538483041,10.95991573,0.703453493,4.420721617,5.756648458,3.495511951,4.475006368,0.101426378,7.77724091,0.865844458,12.98992782,0.302837463,1.193351288,5.692015853,0.511708383,5.940272596,0.007359742,7.241559704,0.70469596,2.094161044,3.263715687,0.515337028,5.187299561,0.05780454,4.987086129,0.02496103,0.831644107,3.46717687,8.531757108,13.1204985,21.45076446,41.36402346,8.46731794,7.908500291,24.31031169,21.74548183,15.75645553,0.662766335,24.51096306,5.607626859,39.35686778,2.742047108,4.5029112,20.86963735,3.737209986,22.96809623,0.025578788,16.82532711,5.465824873,8.136425886,10.19901874,3.097734875,17.25133845,0.243983026,18.99068647,0.128949529,4.182796674,10.75007177,3.366374373,10.19063446,3.90222646,14.47384114,1.52213638,3.742608273,8.496590674,4.905213902,5.783640418,0.174369067,8.984286218,1.463607944,15.49267116,0.551863707,1.153969601,7.543514849,0.907594915,7.227694822,0.010798508,7.742537345,1.223154248,1.790220544,4.255544349,0.863557438,6.069877228,0.081935817,6.21241483,0.030236857,0.878521477,4.445955051,10.81086847,12.70308691,25.6474893,57.65190154,13.84927386,7.270072462,32.53720987,32.76575585,21.22629367,1.003310192,30.79390419,8.420292492,50.3573957,4.360077866,5.14660969,28.29368124,5.775993531,29.45587843,0.03269999,19.59230442,8.514309422,9.212632053,13.72300342,4.619626775,21.39639191,0.313078209,25.37769672,0.187960718,5.372996054,14.36881849,7.138917297,16.7223587,25.297814,28.78499718,4.035661995,18.37615565,16.81783903,14.66953286,11.88301978,0.360588272,22.65466457,3.588418085,40.97042433,1.48990183,5.491661977,15.19702072,1.969528918,21.51064668,0.023033605,23.78458624,3.057520002,11.81727882,7.469451865,1.724351155,17.70010449,0.226702283,18.88301601,0.111321207,5.361354275,8.207080976,45.05275835,0.781212639,0.47233335,0.972929259,0.016870546,0.575410061,0.663303367,0.57142266,46.30630434,56.8446973,119.7751443,0.959393888,1.810136089,42.60633585,0.28913103,0.083801762,0.991322961,0.006727221,0.514607575,0.091004585,0.017987323,42.97926864,15.9135295,59.92513644,0.986984441,0.623599484,43.55346193,0.495910064,0.243960205,0.983296125,0.011196043,0.537741354,0.267713334,0.152439745,44.2933322,32.3448939,81.90742499,0.974944188,0.957894434,44.9057943,0.746854055,0.44610939,0.974121571,0.016201175,0.571662044,0.606254154,0.509733253,46.09875775,53.9041497,114.9645574,0.961182356,1.687649451,44.05442432,0.600196477,0.325622408,0.97941721,0.013343558,0.550183824,0.392092415,0.271574384,44.9802432,40.98185541,94.57198172,0.969125816,1.213850622,45.22046771,0.811060965,0.496659299,0.971894021,0.017431604,0.579704081,0.714673854,0.631796738,46.52818797,59.53854293,124.2824836,0.957841032,1.926174673,45.35185985,0.757891867,0.454569037,0.973961589,0.016276236,0.583077165,0.624111793,0.529248867,46.56432075,55.33187114,117.5205505,0.960942384,1.736437825 +UMLCP0003,L,CCCCCCOCCOCCOCCOCCOCCO,C6E5,75,0,-2.2039,4.85717521,80.0394,55.642962,0,0,56,22,34,0,16,0,6,0,0,0,0,0,0,0,3878.580118,3972.105985,4293.76164,4207.007551,3806.452058,3720.537025,3573.171976,3160.720279,3064.78371,9131.4624,11433.51551,14324.4218,14422.37916,13985.86157,13211.7531,11907.57703,11462.68059,10960.60379,429.186328,430.130908,806.47596,949.2673,835.049528,947.342356,793.696816,689.57782,759.320376,63.59846276,79.90347022,106.369629,114.4536073,114.1112686,105.4806631,93.24824959,92.21501327,87.19525327,9428.617581,8192.948525,16661.64465,20758.01398,18615.54207,21316.39914,17270.8328,15267.67955,16940.8437,169,141.75,246.5,289.25,206,253.75,249.5,175.25,207,69.26035925,72.22010882,42.09570235,34.20331342,33.38993033,29.7642962,35.0310978,33.98623956,30.6478371,163.0618286,207.8821002,140.4355078,117.2551151,122.6829962,105.6940248,116.7409513,123.25463,109.6060379,7.664041571,7.820561964,7.906627059,7.717620325,7.32499586,7.578738848,7.781341333,7.414815269,7.59320376,1.135686835,1.452790368,1.0428395,0.930517132,1.00097604,0.843845305,0.914198525,0.991559282,0.871952533,168.3681711,148.9627004,163.3494573,168.7643413,163.2942287,170.5311931,169.3218902,164.1685973,169.408437,3.017857143,2.577272727,2.416666667,2.351626016,1.807017544,2.03,2.446078431,1.884408602,2.07,1.055201302,-0.25857428,-0.596662607,0.497513102,-0.057578436,-0.377811967,0.414887189,-0.075712718,-0.283430029,2021.993629,66.64303477,-855.193331,-109.3690681,135.5407805,149.6796234,-113.1054725,28.05826521,-19.97695364,2549.993335,-349.7270771,-834.8577648,168.5761471,-534.3473874,386.953944,135.9379488,-320.8492786,115.1873383,5.752325429,-0.160470903,-2.703089316,2.064131648,0.565379235,-1.522861403,1.324456969,-0.062741158,-1.296279122,11.13487188,-3.278631176,-2.993051187,3.48424169,-4.649457574,0.993118154,2.727442386,-2.736570854,0.109566452,62.63824095,-20.93932408,-16.18809769,24.79529489,-29.00509905,3.326524443,19.237978,-17.21019306,-0.75744289,48.92857143,-2.429846939,-19.47704082,11.19260204,5.288265306,-9.769132653,8.415816327,1.261479592,-9.086734694,0.01884288,-0.004701351,-0.005849633,0.004044822,-5.05E-04,-0.003022496,0.004067521,-8.14E-04,-0.0028343,36.1070291,1.211691541,-8.384248343,-0.889179415,1.188954214,1.197436987,-1.108877181,0.301701776,-0.199769536,45.53559526,-6.358674128,-8.184880047,1.370537781,-4.687257784,3.095631552,1.332724988,-3.449992244,1.151873383,0.102720097,-0.002917653,-0.026500876,0.016781558,0.004959467,-0.012182891,0.012984872,-6.75E-04,-0.012962791,0.198836998,-0.059611476,-0.029343639,0.028327168,-0.040784716,0.007944945,0.026739631,-0.029425493,0.001095665,1.118540017,-0.380714983,-0.15870684,0.201587763,-0.254430693,0.026612196,0.188607627,-0.185055839,-0.007574429,0.87372449,-0.044179035,-0.190951381,0.090996765,0.046388292,-0.078153061,0.082508003,0.013564297,-0.090867347,-0.249502754,-0.310442633,0.214660492,-0.026804501,-0.160405186,0.215865164,-0.043205456,-0.150417571,0.033558328,-0.232205433,-0.024626214,0.032928608,0.033163542,-0.03071084,0.008355763,-0.005532705,-0.139641836,-0.179746855,0.030098163,-0.102936126,0.067982675,0.029267763,-0.075764734,0.025296109,-0.028403914,-0.257991147,0.163371712,0.04828137,-0.118602801,0.126410241,-0.006567713,-0.126195278,-0.299800724,-0.147576354,0.142464272,-0.205116331,0.039957077,0.13448016,-0.147988017,0.005510365,-0.340367781,-0.141887494,0.180224007,-0.227466778,0.023791903,0.168619472,-0.165444094,-0.00677171,-0.050564035,-0.218548733,0.104148122,0.053092585,-0.089448175,0.094432518,0.015524684,-0.104,1.246864167,1.654732891,0.942599377,0.630503343,1.201849507,1.054081329,0.798654656,1.206717804,1.086762564,1.360547832,1.057127173,0.864907975,0.95419451,1.08782043,0.923989515,1.000297933,1.547374108,1.233868965,0.914050143,1.185008221,0.834083781,0.897813905,1.134254119,0.902063609,0.954359775,1.634697732,1.031469171,0.540347147,1.208855474,1.167857479,0.735679922,1.212030071,1.864320792,1.233882651,0.791107632,1.319990272,0.832162476,0.77639224,1.232045644,0.901758849,1.928193825,1.251523532,0.761376554,1.329939468,0.848107558,0.753808541,1.242266326,0.915311277,0.981021898,1.363782739,0.897899234,0.443718786,1.029664234,1.013882925,0.580174241,1.095985401,286.5068001,144.0034001,226.9789482,287.8704365,13.08501984,144.0034001,1.5,0.056350708,0.002561396,-6.327553028,196.2272398,8.919419993,11.61440142,286.6504651,144.0730293,227.0931903,288.0100956,13.09136798,144.0730293,1.495593475,0.056150405,0.002552291,-6.335387047,196.2251973,8.919327151,11.61437852,413.9283358,205.7671844,328.6062369,411.7520022,18.7160001,205.7671844,-2.393966868,0.058015229,0.002637056,-6.263509397,229.7780236,10.44445562,11.9616502,286.8012442,144.1461065,227.2130908,288.1566704,13.09803047,144.1461065,1.490968801,0.055940451,0.002542748,-6.343628565,196.2231855,8.919235705,11.61435597,548.643548,271.0748912,436.3235431,542.7401248,24.67000567,271.0748912,-6.493765586,0.114443081,0.005201958,-4.768890914,366.9452457,16.67932935,12.99146781,301.5517008,151.2952529,238.9490395,302.4960691,13.74982132,151.2952529,1.038805115,0.036647643,0.001665802,-7.274093555,196.6228523,8.937402379,11.61883237,231.9994777,117.2836918,183.5294876,234.2510958,10.64777708,117.2836918,3.479166667,0.171639198,0.007801782,-3.87719352,217.3410229,9.879137404,11.83922884,0,11.99617787,16.00079774,-0.418384292,0.093114559,3.719668966,7.102800241,21,55,55,55,21,0,0,0,0,0,46.749038,3.502687732,3.463477474,3.387812537,3.280804325,3.15283151,3.01555552,2.866475339,2.588389534,1.883813552,1.72835808,1.686941671,1.635901053,1.573910802,1.492427077,1.411749939,1.245460302,3.484683075,3.364216407,3.296882263,3.202751004,3.102105598,2.991497014,2.865433967,2.57008876,1.833331862,1.756783224,1.700864162,1.624661751,1.543797886,1.452385012,1.347832818,1.160300475,3.638247186,3.590504849,3.521537988,3.425557518,3.316358764,3.20206053,3.072887647,2.826472691,1.636732886,1.494630555,1.43749095,1.360763324,1.280360713,1.182299944,1.075207774,0.835784118,3.500753777,3.343969723,3.281724103,3.196717665,3.107806884,3.00231766,2.8859329,2.597341071,1.808196198,1.765481108,1.703828294,1.618881928,1.52393851,1.423615907,1.308696249,1.108373087,3.688296007,3.618061906,3.554331483,3.466045601,3.369833333,3.266679861,3.147900734,2.918871784,1.581664958,1.461737998,1.399004881,1.31244936,1.221105177,1.117347181,0.999897432,0.739900253,4.550554684,3.840994296,3.765992287,3.651161476,3.530507727,3.430924762,3.273442999,3.059793145,1.699429367,1.468363184,1.422655346,1.368063239,1.306857235,1.230147433,1.16376001,0.909979433,0,0,0,0,0,12,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.14213562,10.91421356,7.363961031,4.957106781,3.328427125,2.228553391,1.487436867,0.989276695,0.733733437,0.519724455,0.368198052,0.260900357,0.184912618,0.131091376,0.092964804,0.06595178,14.09505677,8.410085893,4.846129148,2.865887057,1.677165447,0.938926593,0.509060835,0.297460369,0.640684398,0.400480281,0.242306457,0.150836161,0.093175858,0.055230976,0.031816302,0.019830691,29.49986729,56.0772032,53.42745098,54.32,32.45686347,433.6647677,0.526783344,1.001378629,0.954061625,0.97,0.579586848,7.744013708,1.642,85.3228,167.7473954,265.9931379,335.4947907,15.24976321,167.7473954,4.44E-16,2.02E-17,-77.77111366,201.1667296,9.143942253,11.66909494,662,1,0,6,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,16,0,0,0,0,0,0,0,0,0,0,0,1,0,15,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.70223464,0,35.06514966,0,0,3.549278573,0,0,3.713192751,0,0,3.765193817,0,0.70223464,0,0,0,0,0,0,0,0,0,0,0,0,0,8.371635073,0,0,0,0,0,0,0,0,0,0,0,2.204947634,0,10.72990271,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.495739996,0,26.56940966,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.70223464,0,5.054263022,0,0,3.549278573,0,0,3.713192751,0,0,3.765193817,0,0.70223464,0,0,0,0,0,0,0,0,0,0,0,0,0,0.245067772,0,0,0,0,0,0,0,0,0,0,0,2.204947634,0,0.0486193,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.495739996,0,5.054263022,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.70223464,0,8.495739996,0,0,3.549278573,0,0,3.713192751,0,0,3.765193817,0,0.70223464,0,0,0,0,0,0,0,0,0,0,0,0,0,0.656859568,0,0,0,0,0,0,0,0,0,0,0,2.204947634,0,1.288291022,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.495739996,0,5.466854319,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,48,2.181818182,0.70223464,8.495739996,0.006587987,0.0486193,6.124350482,1.4513807,2.495739996,23.54019459,1.4513807,2.495739996,23.54019459,9.99998,0.45454,0,0.04546,0.53929,0.90909,0.42941,0.53929,0.88261,0.10987,0,-0.10987,0.02648,0.5,0.21429,0,0.08333,0,0,13.25,0.60227,13.25,0.60227,0,0,-13.25,-0.60227,0,0,22.71675,1.03258,31.11299,8.39624,0.38165,8.05736,0.36624,10.91421,2.85685,0.12986,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,21.06,6,6,6,6,1,1,1,1.298720786,1.805062168,2.789473697,3.489256038,3.7713547,4.070263183,72.72836403,101.0834814,156.210527,195.3983381,211.1958632,227.9347383,0.223633789,0.310823463,0.480334633,0.600833957,0.649410059,0.700880735,4.508634136,4.002292754,3.017881225,2.318098884,2.036000222,1.737091739,0.224639332,0.312221044,0.482494402,0.603535537,0.652330055,0.704032163,12.15948846,17.23622073,21.27560623,23.83595614,25.84230572,27.57940187,81.00609684,65.8063999,56.97869273,48.12314701,42.06565359,36.24919399,22,21,21.05263158,22,0,6,2.56,2.7152,0,1.994705886,0,0,18.30897105,0,0,0,0,0,0,0.639753249,1.892080006,0,0,0,0,0,0,0.259,1.44,1.505,1.307,0.304,10.336,20,19,18,17,16,15,14,13,12,187,3.091042453,3.044522438,2.995732274,2.944438979,2.890371758,2.833213344,2.772588722,2.708050201,2.63905733,2.564949357,5.236441963,1,0.476190476,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19,0.904761905,21,1,1,11,21,0.909090909,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.023809524,0.011111111,0.006578947,0.004444444,0.003267974,0.00255102,0.002083333,0.001763668,0.001538462,0.00137741,0.072040175,167.7473954,265.9931379,335.4947907,15.24976321,167.7473954,4.44E-16,2.02E-17,-77.77111366,201.1667296,9.143942253,11.66909494,66.38,338.0335729,5.459431619,4.418840608,5.081404365,5.752572639,6.424869024,7.100851909,7.776954403,8.455104999,9.133135301,9.812522917,106.9562562,3.761200116,0,4.812184355,0,5.983936281,0,7.211556733,0,8.470730317,8.811205188,322.2355388,5.75420605,42.82842729,1.946746695,17.32007179,17.32007179,0,1771,19,1.039,82,1.242236364,2.119203748,2.837878295,3.629078813,4.794403653,5.886452916,7.061056632,8.036237101,9.344084944,10.42230284,102.1921539,97.16797353,117.0168745,151.5344686,169.54628,239.5293758,272.3234038,280.1865396,345.4711482,372.3805554,280.1868149,313.8844819,366.1374608,514.8360468,559.544113,754.5742693,936.0939179,954.6877351,1130.325526,1330.860697,9.816908431,16.8242741,22.07405847,27.02393666,36.68073677,46.43595782,52.8115029,61.59779598,72.70886921,77.78233523,1.900606707,2.2953731,2.802509498,4.01021257,4.304073779,5.727917894,7.32407816,7.38660072,8.769457914,10.55894536,183.5349181,343.4384296,476.0516713,579.9781764,809.6865067,987.0956405,1150.078574,1348.998028,1574.485746,1707.533096,3.346322727,5.23774178,7.077803899,7.176084545,10.23778484,15.42862522,13.94279422,17.42672541,23.36292481,20.30669486,0.454133029,0.577017076,0.683305725,0.944413003,1.085822846,1.428732236,1.745802853,1.850867652,2.174600881,2.509250172,804.2202631,2035.381971,41.13716572,237.6829027,-601.5460156,-47.95513703,566.5373604,2636.927986,89.09230275,0.771876206,1.953523166,0.039482715,0.228123794,-0.577353093,-0.046026482,837.9196381,2120.670919,42.8609432,247.6425688,-626.752698,-49.96460909,0.082908988,0.155430572,1.801102524,6.033300714,915.7757966,126.1273692,0.87894521,0.12105479,1695.294579,41.17395511,11.92381029,2032.997702,45.08877579,12.66812371,2989.763813,54.67873273,14.40607353,5.115841115,5.115841115,18037.8187,17972.54013,118.5879171,1.003632128,152.1050301,151.5545645,8.112826103,12.84086098,25.37696591,0.976266697,9.918056632,13.695584,21.48866382,49.70246307,10.04025998,7.334840333,30.68533608,27.81349552,17.75540583,0.729593203,30.53648062,6.21633629,51.23794133,3.035064434,4.136053066,25.61103382,4.433759769,25.10285962,0.027045611,22.10484061,6.256925138,9.284844899,11.69458646,3.402001967,21.76326208,0.244263538,33.55051362,0.133987575,5.59902715,14.21711782,0.852260014,15.0927792,2.212278425,8.02189587,0.073100616,9.311608254,2.274139717,3.92810417,2.885611426,0.02404126,8.353658278,0.218901616,16.41281637,0.12104576,1.694195497,3.585453366,0.130439242,4.533986065,0.002340734,12.38367928,0.276900663,4.266884788,2.02125895,0.133570162,4.47495311,0.020123819,7.530375062,0.029112971,2.19194172,2.250287077,2.631746697,12.49420424,4.207806949,12.36610685,0.74300222,5.50488681,6.944550251,4.22436015,4.805549792,0.101517889,9.573764836,0.873061285,17.01961109,0.30288007,1.409427233,6.493833072,0.542537455,6.557559011,0.007359742,10.5743917,0.722138921,3.181393654,3.33610609,0.519261791,6.130227146,0.057804555,8.949076871,0.024961031,1.67573176,3.711747113,9.584794849,15.08764418,25.77350228,47.18538198,8.947386645,9.756286199,29.23679258,26.13529993,17.15604104,0.662860003,31.07144783,5.69522976,51.21726692,2.742563487,4.915122794,24.50096957,4.005422128,26.64070466,0.025578788,23.59360161,5.677544936,11.54610088,11.00028648,3.102360643,23.39662995,0.243983068,32.94440493,0.12894954,6.500357983,13.38653942,3.811809044,11.50673667,4.593948634,16.44046702,1.608033305,4.656857519,10.31088186,5.838334813,6.290563817,0.174460753,11.17979926,1.479282417,20.28179242,0.551956186,1.30051199,8.791609212,0.963888035,7.822031924,0.010798508,11.21266799,1.261040151,2.627706752,4.406514825,0.867600949,7.099302664,0.081935833,11.32570177,0.030236859,1.504370331,4.950333417,12.15811994,14.57744555,30.76068671,65.44925052,14.63505415,8.931127488,39.23498559,39.35007614,23.14112181,1.003405264,39.14214162,8.563681767,65.47262131,4.360922978,5.525505766,33.35958418,6.207172819,33.72312666,0.03269999,26.96807061,8.860859387,12.81750182,15.02346227,4.62455118,29.10447312,0.313078262,44.08830069,0.187960736,7.752680607,18.63659014,7.894292793,19.44416038,30.41965938,33.18124846,4.289055673,22.39359177,20.035031,17.84167504,12.83239584,0.362782863,28.46651545,3.651311049,52.77231503,1.498849213,6.20810255,17.51579034,2.114795145,26.0196562,0.023168108,32.95604027,3.17672128,16.62288304,7.902802559,1.738590816,24.27274261,0.228026134,30.61783461,0.111971262,8.749929398,9.543612473,60.07903624,0.774448264,0.472280681,0.979670389,0.012628432,0.574339589,0.666809488,0.571423348,61.32576518,75.26803044,158.5681209,0.969505584,1.812572425,56.51267995,0.285915967,0.082679365,0.993519918,0.005026539,0.5082084,0.090954925,0.017512651,56.88127529,20.85394942,79.07114777,0.990279877,0.616675976,58.17541782,0.490944075,0.242884297,0.98754307,0.008333905,0.538545976,0.268213723,0.151132022,58.90924619,42.81001474,108.6562494,0.981314605,0.957891721,59.77264111,0.73925335,0.445180699,0.980569375,0.012127441,0.568496425,0.607580727,0.507727016,60.95707515,71.12585261,151.754183,0.970854063,1.683804168,58.9734814,0.595280726,0.325354052,0.984628961,0.009938885,0.55341694,0.394335787,0.271187745,59.89411618,54.48671499,125.8026379,0.976943442,1.218940472,60.2550548,0.803926143,0.496600076,0.978872326,0.013060167,0.577706753,0.718304671,0.631787724,61.55558102,78.76250837,164.3737019,0.96830849,1.927799149,60.3636297,0.750857792,0.454282443,0.980426112,0.012195433,0.579790957,0.626627472,0.528700262,61.56876993,73.08774043,155.2466358,0.970639167,1.735118691 +UMLCP0004,L,CCCCCCOCCOCCOCCOCCOCCOCCO,C6E6,83,0,-2.3348,5.45129104,91.0829,62.632134,0,0,63,25,38,0,18,0,7,0,0,0,0,0,0,0,4427.140617,4549.126436,4937.322187,4868.50437,4435.965117,4370.193956,4234.668795,3790.233338,3714.440641,10319.22196,12921.43788,16202.56618,16397.13971,16057.06539,15276.39995,13882.33758,13533.8844,13025.25063,484.492932,486.20972,913.876372,1070.929104,946.472724,1095.053552,915.35862,801.001016,907.031572,71.59791838,89.82522746,119.319684,129.0463121,130.2656547,121.0983955,107.8409544,108.3693994,102.8129857,10607.32819,9238.919728,18818.18826,23289.95188,21013.67408,24582.44867,19802.7707,17665.81156,20206.89323,189.75,160.5,281.25,330,234.75,294.5,290.25,204,247.75,70.27207329,73.37300703,42.93323641,35.27901717,34.38732649,30.34856914,36.19375038,35.09475313,31.2137869,163.7971739,208.4102884,140.8918798,118.8198529,124.4733751,106.0861108,118.6524579,125.3137445,109.4558877,7.690364,7.842092258,7.946751061,7.760355826,7.33699786,7.604538556,7.823577949,7.416676074,7.62211405,1.136474895,1.448793991,1.03756247,0.935118204,1.009811277,0.84096108,0.921717559,1.003420365,0.86397467,168.3702887,149.0148343,163.6364196,168.7677672,162.8966983,170.7114491,169.2544505,163.5723292,169.8058255,3.011904762,2.588709677,2.445652174,2.391304348,1.819767442,2.045138889,2.480769231,1.888888889,2.081932773,1.220300626,-0.290100304,-0.709566307,0.590919188,-0.058750421,-0.470046067,0.508293274,-0.076884703,-0.37566413,2295.099585,90.66018843,-977.3672046,-153.5092996,155.7697385,190.5503452,-158.003151,46.58082215,17.26428965,2865.470714,-404.6916317,-907.6479862,197.7632867,-668.5226545,499.7007756,165.1446843,-454.1539064,224.6953894,6.668424,-0.190744,-3.299264,2.377104,0.710568,-1.908712,1.630992,0.060704,-1.683776,12.5109264,-3.884032169,-3.205716647,4.21701109,-5.726448767,1.341075303,3.460635182,-3.811275799,0.454179714,70.47464534,-24.88350479,-17.42344934,30.00240593,-35.63321043,4.746664739,24.44490471,-23.83922257,0.663841736,53.93650794,-2.429579239,-22.8999748,12.29780801,6.296674225,-11.73582766,9.498866213,2.219954649,-11.07054674,0.019369851,-0.004679037,-0.006170142,0.004282023,-4.55E-04,-0.003264209,0.004344387,-7.12E-04,-0.003156841,36.43015214,1.462261104,-8.498845258,-1.112386229,1.207517353,1.323266286,-1.350454282,0.431303909,0.145078064,45.48366213,-6.527284383,-7.892591184,1.433067295,-5.182346159,3.470144275,1.411493028,-4.205128763,1.88819655,0.105848,-0.003076516,-0.028689252,0.017225391,0.005508279,-0.013254944,0.013940103,5.62E-04,-0.014149378,0.198586133,-0.06264568,-0.027875797,0.030558051,-0.044391076,0.009313023,0.029578078,-0.035289591,0.003816636,1.118645164,-0.401346851,-0.151508255,0.217408739,-0.276226437,0.03296295,0.20893081,-0.220733542,0.005578502,0.856135047,-0.039186762,-0.199130216,0.089114551,0.048811428,-0.081498803,0.081186891,0.020555136,-0.093029805,-0.241562886,-0.318543583,0.221066391,-0.023512293,-0.168520076,0.224286026,-0.036752755,-0.162977061,0.040138759,-0.233291512,-0.030534768,0.033146097,0.036323381,-0.037069685,0.011839201,0.003982362,-0.14350833,-0.173525851,0.031507298,-0.11393863,0.076294302,0.031032968,-0.09245361,0.041513732,-0.029065416,-0.271041986,0.16273705,0.05203952,-0.125226215,0.131699253,0.0053102,-0.133676386,-0.315458482,-0.140371316,0.153878072,-0.223535626,0.046896643,0.148943322,-0.177704204,0.019219047,-0.35877941,-0.135439065,0.194350046,-0.246929452,0.02946685,0.186771298,-0.197322216,0.004986838,-0.045771706,-0.232592062,0.104089362,0.057013702,-0.095193864,0.094829538,0.024009221,-0.108662535,1.241821854,1.685799932,0.95815787,0.621890809,1.220719973,1.059957005,0.764452799,1.235045058,1.069872157,1.364654033,1.07113352,0.863829238,0.95533037,1.101524966,0.915300802,0.995421951,1.546167316,1.220447481,0.914037277,1.20734913,0.824228944,0.899316372,1.167120864,0.878910795,0.954001125,1.662762051,1.049157007,0.530600896,1.2223382,1.173061766,0.695167076,1.234771721,1.880376,1.218778362,0.781030333,1.353931042,0.821194712,0.765884035,1.283708288,0.876992614,1.947813702,1.238360669,0.749633224,1.364602052,0.838387768,0.74065178,1.295202208,0.892585113,0.973366686,1.406887683,0.926680016,0.445542522,1.049716745,1.0316023,0.564106337,1.106031229,368.2157036,184.9828518,291.6429014,369.8257036,14.79302814,184.9828518,1.75,0.048375186,0.001935007,-7.571920732,313.9762771,12.55905109,14.37329358,368.4071163,185.0759877,291.7950512,370.0123866,14.80049546,185.0759877,1.744859054,0.048202929,0.001928117,-7.580838721,314.196505,12.5678602,14.37504651,537.8644412,267.5357399,426.7108181,535.2949167,21.41179667,267.5357399,-2.792961346,0.049690603,0.001987624,-7.504848578,291.2723785,11.65089514,14.1856471,368.6080069,185.1737352,291.954736,370.2083134,14.80833254,185.1737352,1.739463602,0.048022376,0.001920895,-7.590220509,314.4289265,12.57715706,14.37689515,717.0654631,354.7447016,569.5757841,710.095488,28.40381952,354.7447016,-7.57605985,0.097987659,0.003919506,-5.807284337,248.5321127,9.941284508,13.78893016,388.2586926,194.735316,307.5793393,389.3736768,15.57494707,194.735316,1.211939301,0.031442666,0.001257707,-8.648973788,345.4417206,13.81766882,14.61205987,294.2120447,148.5823177,232.5361491,296.8408259,11.87363303,148.5823177,4.047619048,0.148419121,0.005936765,-4.769287768,310.658638,12.42634552,14.34673671,0,11.99616335,16.00166028,-0.418396011,0.093546111,3.719662973,7.102811571,24,62,62,62,24,0,0,0,0,0,53.037866,3.503550437,3.473329785,3.414644044,3.330008547,3.224648451,3.106814707,2.981919312,2.847260691,1.883813554,1.732224325,1.699437273,1.655327702,1.60595775,1.542063757,1.468223811,1.402216275,3.484683399,3.370703524,3.319234349,3.243174235,3.154803307,3.063433845,2.958828548,2.849690926,1.833333432,1.762275024,1.719054197,1.656633364,1.5854553,1.510981448,1.424281375,1.33388999,3.638334657,3.598285797,3.544890801,3.468155326,3.375430822,3.276516822,3.170915834,3.05526974,1.636732921,1.500000675,1.455954569,1.392206216,1.32179076,1.244937567,1.152471025,1.062179889,3.500753808,3.349822693,3.302066754,3.232134256,3.153797122,3.070296973,2.970537691,2.871960806,1.808275438,1.772377751,1.724409304,1.65593795,1.57435727,1.48832883,1.394807249,1.29250227,3.688301996,3.624550231,3.575465193,3.504178336,3.420453063,3.333439356,3.236394434,3.131997387,1.581665165,1.467738264,1.419625967,1.349041898,1.268476561,1.184445245,1.086060487,0.985198079,4.558057251,3.851088425,3.795051564,3.706250767,3.596041311,3.499768841,3.397514992,3.251916304,1.697355262,1.470556873,1.434933553,1.387291604,1.337438363,1.275826159,1.208507536,1.155615354,0,0,0,0,0,14,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.26345597,12.41421356,8.424621202,5.707106781,3.858757211,2.603553391,1.75260191,1.176776695,0.730538239,0.517258898,0.366287878,0.259413945,0.183750343,0.13017767,0.092242206,0.065376483,15.91751862,9.487436162,5.458501584,3.237895525,1.89707865,1.063926593,0.584996746,0.342349963,0.636700745,0.39530984,0.237326156,0.147177069,0.090337079,0.05319633,0.030789302,0.019019442,33.298322,63.18353969,60.22745098,61.24,36.53421198,487.8757988,0.528544794,1.002913328,0.955991285,0.972063492,0.579908127,7.744060298,1.6586,96.1418,216.7319465,343.5502244,433.4638931,17.33855572,216.7319465,9.44E-16,3.77E-17,-86.49183602,2000153.321,80006.13285,36.27183599,864,1,0,7,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,18,0,0,0,0,0,0,0,0,0,0,0,1,0,17,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.699778253,0,40.5472573,0,0,3.541206773,0,0,3.705359555,0,0,3.757559221,0,0.699778253,0,0,0,0,0,0,0,0,0,0,0,0,0,9.760018408,0,0,0,0,0,0,0,0,0,0,0,2.205526158,0,11.74721654,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.513952004,0,32.0333053,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.699778253,0,5.060469885,0,0,3.541206773,0,0,3.705359555,0,0,3.757559221,0,0.699778253,0,0,0,0,0,0,0,0,0,0,0,0,0,0.246667772,0,0,0,0,0,0,0,0,0,0,0,2.205526158,0,0.042712191,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.513952004,0,5.060469885,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.699778253,0,8.513952004,0,0,3.541206773,0,0,3.705359555,0,0,3.757559221,0,0.699778253,0,0,0,0,0,0,0,0,0,0,0,0,0,0.665124031,0,0,0,0,0,0,0,0,0,0,0,2.205526158,0,1.286034406,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.513952004,0,5.48278799,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,54.5,2.18,0.699778253,8.513952004,4.14E-05,0.042712191,6.614945674,1.457287809,2.513952004,27.50556691,1.457287809,2.513952004,27.50556691,11.33331,0.45333,0,0.04667,0.54392,0.91467,0.42987,0.54392,0.89103,0.11405,0,-0.11405,0.02364,0.49563,0.21866,0,0.07353,0,0,15.25,0.61,15.25,0.61,0,0,-15.25,-0.61,0,0,26.54466,1.06179,36.7671,10.22245,0.4089,9.05365,0.36215,12.41421,3.36057,0.13442,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,24.07,7,7,7,7,1,1,1,1.30852786,1.781005862,2.699028448,3.347259217,3.618906473,3.908712067,82.43725519,112.2033693,170.0387922,210.8773306,227.9911078,246.2488602,0.218916945,0.297962599,0.451547942,0.559997065,0.6054437,0.653928228,4.668752063,4.196274061,3.278251476,2.630020707,2.358373451,2.068567856,0.219765656,0.29911776,0.453298532,0.562168098,0.607790923,0.656463419,12.27364582,17.04198183,20.76791888,23.19253907,25.14330914,26.85755625,92.21100713,76.32279389,67.47197894,58.3805462,51.84727049,45.47538668,25,24,24,25,0,6,2.67,3.0557,0,1.987250728,0,0,21.00763676,0,0,0,0,0,0,0.668048377,2.491141646,0,0,0,0,0,0,0.259,1.651,1.731,1.492,0.318,11.694,23,22,21,20,19,18,17,16,15,220,3.218875825,3.17805383,3.135494216,3.091042453,3.044522438,2.995732274,2.944438979,2.890371758,2.833213344,2.772588722,5.398162702,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22,0.916666667,24,1,1,12,24,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.020833333,0.009661836,0.005681818,0.003809524,0.002777778,0.002148228,0.001736111,0.001452433,0.00125,0.001101928,0.062896819,216.7319465,343.5502244,433.4638931,17.33855572,216.7319465,9.44E-16,3.77E-17,-86.49183602,2000153.321,80006.13285,36.27183599,75.61,381.4157689,5.64385619,4.553876892,5.220355825,5.894402834,6.56948142,7.247792582,7.926241523,8.606485299,9.286653055,9.968010449,114.2732999,3.891820298,0,4.94875989,0,6.124683391,0,7.355641103,0,8.617762246,8.956995312,366.2617536,5.813678628,48.82842715,1.953137086,20.32006962,20.32006962,0,2600,22,0.849,94,1.243580645,2.11926111,2.838359025,3.635474014,4.789647158,5.894005137,7.059638667,8.024254657,9.350872824,10.42527626,103.7582468,98.9972725,120.6371902,155.9455869,172.7443651,247.2807754,281.0463195,285.1414821,361.3596596,389.753921,280.8863226,314.6820297,371.124503,522.3677101,561.3454162,767.069677,951.1771502,952.5896535,1155.996543,1361.835552,9.858659322,16.91076656,22.20563841,27.1236535,36.77847416,46.75544937,52.82700931,61.7618691,73.30858309,77.84374685,1.895062455,2.282451222,2.817548327,4.046473721,4.285790525,5.778991236,7.405921306,7.308922755,8.872479241,10.73231698,183.8581383,344.0865347,476.1595224,579.6522152,809.7381316,988.1691489,1145.610564,1350.269018,1574.964759,1699.349697,3.368927419,5.30019692,7.202242915,7.240948411,10.30874539,15.65823279,13.98299018,17.5127899,23.82823774,20.38704876,0.455619421,0.578606308,0.690369836,0.955690081,1.088434683,1.44628136,1.767607049,1.847738061,2.210249004,2.55436402,876.2544956,2547.135165,44.79139782,252.1786448,-733.0439926,-53.3902201,624.0758507,3280.179157,98.18161792,0.776523184,2.257231796,0.039693444,0.223476816,-0.649612251,-0.047313587,988.7946122,2874.271733,50.5440977,284.5667401,-827.1911346,-60.24729373,0.072185637,0.135327365,1.269530839,5.137341608,991.9468521,136.4862883,0.879047962,0.120952038,1952.735946,44.18977197,12.49916996,2329.187213,48.26165365,13.25566335,3481.113932,59.00096551,15.15558644,5.633656316,5.633656316,26308.03533,26233.52726,134.4758779,1.002840185,195.6338619,195.0797992,8.813647872,14.92569544,28.85113446,0.932984268,11.03365904,15.40962328,25.00814736,55.74329082,10.57905384,8.715467372,35.97404639,32.43110095,19.25971212,0.729687089,37.02388469,6.314655456,63.10439051,3.035643974,4.446991223,29.53066239,4.733317057,28.04451961,0.027045611,28.3144952,6.494549864,11.94362876,12.59194006,3.406684318,27.07916989,0.244263579,47.96292847,0.133987588,7.393198052,17.16776814,0.945885032,17.06089565,2.58569596,8.761339267,0.076899136,11.16159593,2.622669391,4.7518828,2.982175582,0.024132708,9.813205546,0.219594745,20.3346099,0.12104987,2.092130453,3.814776037,0.140884315,4.986079662,0.002340734,16.35794119,0.278575305,5.875115741,2.030158312,0.137334169,5.111146614,0.020123836,10.73889682,0.029112971,3.536382326,2.282044998,2.933978983,13.98984965,4.877130856,13.77229798,0.782550948,6.589052004,8.132452044,4.953208349,5.136093217,0.101609399,11.37028876,0.880278112,21.04929435,0.302922677,1.625503178,7.295650291,0.573366528,7.174845425,0.007359743,13.9072237,0.739581882,4.268626263,3.408496492,0.523186554,7.073154731,0.05780457,12.91106761,0.024961032,2.519819413,3.956317356,10.63783259,17.05478986,30.09624009,53.00674051,9.427455351,11.60407211,34.16327346,30.52511804,18.55562654,0.662953671,37.6319326,5.782832661,63.07766607,2.743079865,5.327334388,28.13230178,4.27363427,30.31331308,0.025578788,30.3618761,5.889264999,14.95577587,11.80155423,3.106986411,29.54192146,0.24398311,46.8981234,0.128949552,8.817919292,16.02300707,4.257243715,12.82283888,5.285670808,18.4070929,1.69393023,5.571106766,12.12517305,6.771455724,6.797487216,0.17455244,13.3753123,1.49495689,25.07091368,0.552048665,1.447054379,10.03970358,1.020181155,8.416369026,0.010798508,14.68279863,1.298926054,3.465192961,4.5574853,0.871644461,8.128728101,0.08193585,16.43898872,0.030236861,2.130219186,5.454711783,13.50537141,16.45180419,35.87388412,73.24659951,15.42083444,10.59218251,45.93276131,45.93439643,25.05594995,1.003500337,47.49037904,8.707071043,80.58784693,4.36176809,5.904401843,38.42548713,6.638352107,37.9903749,0.03269999,34.3438368,9.207409353,16.42237158,16.32392113,4.629475585,36.81255432,0.313078315,62.79890466,0.187960755,10.13236516,22.9043618,8.647152919,22.16873797,35.55484425,37.57964854,4.539447211,26.42342033,23.25938195,21.02339198,13.77478198,0.364523126,34.30146242,3.710056368,64.62772685,1.505918276,6.923840126,19.83567412,2.258792842,30.54140914,0.023273538,42.17968068,3.292985707,21.45668028,8.330272288,1.750691939,30.88191794,0.229063839,42.4346167,0.112480806,12.16229266,10.88151282,77.15435011,0.775583831,0.472239717,0.984084325,0.009892377,0.57305762,0.6698149,0.571423893,78.40217366,96.64127638,203.3021172,0.976126487,1.814296413,72.41633735,0.285275662,0.081826794,0.994956237,0.003919513,0.504834907,0.090748643,0.017156332,72.7834398,26.60755853,101.0814269,0.992434355,0.612739882,74.83555058,0.490448253,0.242053854,0.990306722,0.006490153,0.539127781,0.268216704,0.150126507,75.56805269,54.93591333,139.3880602,0.985460084,0.957470993,76.67589644,0.739552413,0.44446091,0.98479303,0.009498501,0.565972128,0.609077986,0.506174798,77.85990976,91.11398509,194.177426,0.977189545,1.681224912,75.94996462,0.595682995,0.325145596,0.988021086,0.007749146,0.555304241,0.395597258,0.270887601,76.87079322,70.1305826,161.7116462,0.98203163,1.2217891,77.33626935,0.80515979,0.496554015,0.983446755,0.010238815,0.575763852,0.721648338,0.631780725,78.63798315,101.0694948,210.6269303,0.975170132,1.929192915,77.41702095,0.752009591,0.454058873,0.984660124,0.009564742,0.576966566,0.629604465,0.528272143,78.62308941,93.71168417,198.7693285,0.976990186,1.734843174 +UMLCP0005,L,CCCCCCCCOCCOCCOCCO,C8E3,7,0,-2.5181,6.34082761,63.7756,47.85179,0,0,48,18,30,0,14,0,4,0,0,0,0,0,0,0,3074.051618,3155.021677,3394.05762,3277.527371,2940.939398,2814.736621,2643.691796,2339.087583,2192.740934,7727.312065,9763.651037,12395.22726,12486.45476,11857.05063,11096.05609,9971.65263,9245.805236,8491.367662,360.528008,361.524844,677.134152,831.713492,737.972936,777.689764,676.143008,592.64106,596.069888,54.95580315,70.09193298,95.8448993,103.3112554,99.8455541,92.288256,82.10589771,77.07851512,70.05787068,8064.455689,6967.08502,14196.96181,18652.04848,16777.18838,17742.2104,15164.8673,13423.8131,13520.9176,136,114.75,195.5,232.25,173,196.75,191.5,144.25,157,64.04274204,67.12812079,38.56883659,29.52727361,28.8327392,26.80701544,29.37435329,28.87762448,27.40926167,160.985668,207.7372561,140.8548552,112.4905834,116.2455944,105.6767247,110.7961403,114.1457437,106.1420958,7.511000167,7.692017957,7.694706273,7.492914342,7.235028784,7.406569181,7.512700089,7.316556296,7.4508736,1.144912566,1.491317723,1.089146583,0.930732031,0.978877981,0.878935771,0.912287752,0.951586606,0.875723384,168.0094935,148.2358515,161.3291115,168.0364728,164.482239,168.9734324,168.4985256,165.7260877,169.01147,2.833333333,2.441489362,2.221590909,2.092342342,1.696078431,1.873809524,2.127777778,1.780864198,1.9625,0.733488422,-0.195521212,-0.375083994,0.310814668,-0.054859277,-0.1945146,0.217318902,-0.052605118,-0.091781422,1639.707616,17.68753904,-696.8849137,-18.7094221,97.43400076,72.20422556,-20.88275384,40.04348568,6.423634972,2218.673138,-240.9325116,-841.9397121,105.8394731,-271.4499569,162.3210669,72.68932258,-149.5377035,58.04461675,3.988999667,-0.065497007,-1.427371056,1.554982104,0.334827042,-0.643585271,0.837903625,-0.042356771,-0.607399778,9.730909491,-2.046390078,-3.154406084,2.052245002,-2.510736264,0.353051199,1.297489521,-1.457033564,-0.017626468,54.32192968,-12.87049233,-16.68515489,14.71441431,-15.78651391,0.934195915,9.186808042,-9.338995144,-0.885790763,39.66666667,-2.006944444,-11.80555556,10.1875,3.708333333,-4.770833333,6.625,0.8125,-4.027777778,0.015281009,-0.004160026,-0.004262318,0.002800132,-5.38E-04,-0.00185252,0.002414654,-6.49E-04,-0.001147268,34.16057533,0.376330618,-7.919146746,-0.168553352,0.955235302,0.687659291,-0.232030598,0.494364021,0.080295437,46.22235705,-5.126223652,-9.567496729,0.953508766,-2.661274088,1.545914923,0.80765914,-1.846144487,0.725557709,0.08310416,-0.001393553,-0.016220126,0.014008848,0.003282618,-0.006129384,0.00931004,-5.23E-04,-0.007592497,0.202727281,-0.043540214,-0.035845524,0.018488694,-0.024615061,0.003362392,0.01441655,-0.017988069,-2.20E-04,1.131706868,-0.273840262,-0.189604033,0.132562291,-0.154769744,0.008897104,0.102075645,-0.115296236,-0.011072385,0.826388889,-0.042700946,-0.13415404,0.091779279,0.036356209,-0.045436508,0.073611111,0.010030864,-0.050347222,-0.272235024,-0.278929105,0.183242623,-0.035196371,-0.121230216,0.158016692,-0.042500198,-0.075078013,0.011016519,-0.231821235,-0.004934149,0.027963092,0.020130202,-0.00679235,0.014471771,0.002350529,-0.110903554,-0.206988508,0.020628735,-0.057575473,0.033445177,0.017473344,-0.039940509,0.015697116,-0.016768756,-0.195178264,0.168569754,0.039500045,-0.073755436,0.112028571,-0.006292382,-0.091361218,-0.214772349,-0.176816477,0.091199831,-0.12141958,0.016585791,0.071113025,-0.08873038,-0.001086834,-0.241971017,-0.167538113,0.117134829,-0.136757802,0.007861668,0.090196188,-0.10187818,-0.009783792,-0.051671733,-0.162337662,0.11106064,0.043994068,-0.054981993,0.08907563,0.012138189,-0.06092437,1.266569118,1.535302666,0.862108161,0.630784433,1.070053862,0.953848822,0.812959939,1.11546244,1.173066867,1.358644241,1.002276525,0.873620957,0.942956199,1.012869696,0.919775629,0.980751356,1.544455299,1.307710923,0.931091654,1.09945829,0.893997194,0.920800807,1.048558426,0.908260619,0.950972253,1.510098055,0.929615005,0.542772316,1.082143881,1.040421234,0.766886619,1.179519828,1.771599727,1.311768262,0.854023093,1.180607529,0.896036257,0.856486428,1.105243983,0.909150088,1.817440479,1.320080955,0.831332775,1.184857878,0.903255054,0.841803297,1.111984513,0.918955467,0.995798319,1.221901261,0.781910061,0.418190806,0.919687875,0.895238095,0.566837846,1.055278361,199.1978561,100.098928,158.2129722,200.086745,11.11593028,100.098928,1,0.102005883,0.005666994,-4.108904619,230.6273187,12.81262882,9.793445524,199.2714107,100.1342365,158.270259,200.1576883,11.11987157,100.1342365,0.997062316,0.101662418,0.005647912,-4.114975641,229.0109268,12.72282927,9.780785492,264.7089634,131.5564927,210.3507285,263.2903164,14.6272398,131.5564927,-1.595977912,0.115467468,0.006414859,-3.885779614,157.150397,8.730577613,9.102965922,199.3486084,100.1712938,158.3303875,200.2321455,11.12400808,100.1712938,0.993979201,0.101302256,0.005627903,-4.12136387,227.3710264,12.63172369,9.767849689,334.3779655,165.0243942,267.0177412,330.5298081,18.36276712,165.0243942,-4.329177057,0.235932279,0.013107349,-2.599578846,192.1745557,10.6763642,9.465127385,206.9051015,103.7988191,164.236663,207.5206897,11.52892721,103.7988191,0.692536744,0.067558242,0.003753236,-4.850577377,165.2141514,9.178563966,9.193036535,173.7172965,87.73659265,138.9663876,175.2120364,9.734002023,87.73659265,2.350340136,0.277571867,0.015420659,-2.307015717,191.0916833,10.61620463,9.454955994,0,11.99619591,15.99929107,-0.418361605,0.092544055,3.720087352,7.372163205,17,47,47,47,17,0,0,0,0,0,38.54421,3.51725359,3.442712332,3.332943591,3.201481699,3.016979501,2.828461542,2.514142085,2.336086057,1.913637108,1.755160098,1.698100708,1.600282195,1.491441701,1.423787013,1.178802833,0.927679873,3.523718887,3.354073096,3.287400368,3.159552945,2.980306254,2.850920366,2.478446681,2.196004282,1.858988075,1.745788582,1.687106406,1.587733797,1.448115379,1.34732737,1.091471496,0.890351986,3.661310029,3.57193557,3.48154353,3.368145151,3.200117063,3.052188841,2.75050142,2.57837288,1.673162068,1.497384242,1.443673217,1.32390845,1.172872769,1.075337035,0.754086532,0.457572872,3.542167074,3.346615663,3.288188827,3.15750292,2.989481974,2.879137724,2.506098134,2.174208395,1.827420593,1.749195881,1.670064473,1.569870987,1.422404043,1.297939748,1.040821405,0.885144339,3.716237862,3.603020186,3.529665098,3.421127007,3.26157601,3.137624259,2.842304154,2.640011302,1.618018882,1.454292213,1.394106834,1.272633671,1.107405278,0.992694731,0.654706152,0.378308539,4.540967678,3.805890373,3.65540265,3.546483329,3.394780693,3.231079477,2.927562992,2.706821982,1.748785008,1.531678463,1.439806903,1.33065604,1.217006246,1.162189272,0.846994317,0.543469814,0,0,0,0,0,8,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.3137085,8.914213562,5.949747468,3.957106781,2.621320344,1.728553391,1.133883476,0.739276695,0.739650472,0.524365504,0.371859217,0.263807119,0.187237167,0.132965645,0.09449029,0.067206972,11.86434662,7.255385355,4.328491058,2.621870121,1.590892432,0.938926593,0.549439615,0.317207275,0.659130368,0.426787374,0.270530691,0.174791341,0.113635174,0.072225123,0.045786635,0.028837025,24.98661347,47.64020393,45.27843137,46,27.89927545,371.2992156,0.520554447,0.992504249,0.943300654,0.958333333,0.581234905,7.735400324,2.389,72.9188,112.1621046,177.9851524,224.3242092,12.46245607,112.1621046,1.44E-15,8.02E-17,-61.50933218,141.4961897,7.860899425,8.914091019,434,1,0,4,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,14,0,0,0,0,0,0,0,0,0,0,0,1,0,13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.702015002,0,24.30079411,0,0,3.551363491,0,0,3.72646301,0,0,3.834463339,0,0.702015002,0,0,0,0,0,0,0,0,0,0,0,0,0,6.084621055,0,0,0,0,0,0,0,0,0,0,0,2.234088556,0,11.46511733,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.471659687,0,15.82913442,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.702015002,0,5.05881424,0,0,3.551363491,0,0,3.72646301,0,0,3.834463339,0,0.702015002,0,0,0,0,0,0,0,0,0,0,0,0,0,0.226820988,0,0,0,0,0,0,0,0,0,0,0,2.234088556,0,0.07080076,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.471659687,0,5.05881424,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.702015002,0,8.471659687,0,0,3.551363491,0,0,3.72646301,0,0,3.834463339,0,0.702015002,0,0,0,0,0,0,0,0,0,0,0,0,0,0.628888889,0,0,0,0,0,0,0,0,0,0,0,2.234088556,0,1.354614198,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.471659687,0,5.462081759,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,38,2.111111111,0.702015002,8.471659687,0.003372701,0.07080076,6.491312811,1.42919924,2.471659687,16.06976533,1.42919924,2.471659687,16.06976533,8.33332,0.46296,0,0.03704,0.51389,0.87037,0.42857,0.51389,0.84035,0.08532,0,-0.08532,0.03002,0.53191,0.18238,0,0.1,0,0,10.25,0.56944,10.25,0.56944,0,0,-10.25,-0.56944,0,0,18.71657,1.03981,23.88573,5.16916,0.28718,7.0648,0.39249,8.91421,1.84941,0.10275,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,17.04,4,4,4,4,1,1,1,1.241010693,1.818345921,2.971588867,3.835500658,4.228308012,4.378376106,59.56851326,87.28060422,142.6362656,184.1040316,202.9587846,210.1620531,0.222205734,0.325578895,0.532069619,0.686754953,0.757087986,0.783958013,4.343951808,3.76661658,2.613373633,1.749461843,1.356654489,1.206586395,0.223420801,0.327359229,0.534979086,0.690510272,0.761227901,0.788244859,11.42716843,17.17676375,21.9004083,25.373877,26.96449075,27.58015764,65.8251339,50.995469,41.91325383,31.41785111,27.05820672,25.35608873,18,17,17.06666667,18,0,8,2.56,2.316,0,2.123340248,0,0,16.98099606,0,0,0,0,0,0,0.550321208,0.793700526,0,0,0,0,0,0,0.259,1.018,1.053,0.937,0.276,8.618,16,15,14,13,12,11,10,9,8,143,2.890371758,2.833213344,2.772588722,2.708050201,2.63905733,2.564949357,2.48490665,2.397895273,2.302585093,2.197224577,4.9698133,1,0.470588235,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15,0.882352941,17,1,1,9,17,0.888888889,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.029411765,0.013888889,0.008333333,0.005714286,0.004273504,0.003401361,0.002840909,0.002469136,0.002222222,0.002066116,0.088905447,112.1621046,177.9851524,224.3242092,12.46245607,112.1621046,1.44E-15,8.02E-17,-61.50933218,141.4961897,7.860899425,8.914091019,47.92,285.8611503,5.169925001,4.204692619,4.859812404,5.525452939,6.192362489,6.863803391,7.535296702,8.209308412,8.883085524,9.558529412,96.83234389,3.555348061,0,4.59511985,0,5.758901774,0,6.980075941,0,8.23350314,8.576405051,262.2144094,5.462800197,34.82842974,1.934912763,11.3280769,11.3280769,0,969,15,2.557,66,1.239638298,2.124744657,2.843150988,3.612278834,4.836111266,5.886457801,7.119180554,8.146126762,9.40838296,10.50751451,95.51089482,89.71613222,101.5840405,131.8495481,154.0143902,202.8107849,233.8938658,253.4506997,296.9982253,329.4356506,280.8885182,316.8051929,352.397751,490.1922691,564.5448299,721.5175113,875.4826527,934.269996,1092.900828,1300.956779,9.616430736,16.40878448,21.43773547,26.51074934,36.09232105,44.72532525,52.44277075,61.18509136,71.4174473,77.64079991,1.958826615,2.411337446,2.811395962,3.940607185,4.534724923,5.754833423,7.107431804,7.506671366,8.761743784,10.63766891,181.9738198,339.8583215,474.6227025,580.7956636,808.7252869,980.3096731,1169.960991,1364.653631,1583.850261,1722.830204,3.147398936,4.824017883,6.27181227,6.669335107,9.482344722,13.3565243,13.21424983,16.70465186,21.04393183,19.82205493,0.45142546,0.577445725,0.661516414,0.904191405,1.08808362,1.375287296,1.662289425,1.822791502,2.114496386,2.470649683,699.2606016,1318.322348,32.4355069,212.9859429,-401.5443281,-38.20508062,486.2746587,1719.866676,70.64058752,0.766525898,1.445138221,0.035555637,0.233474102,-0.44017084,-0.041880214,637.8980675,1202.635007,29.58917909,194.2956905,-366.3074258,-34.85245278,0.111298668,0.208653081,2.139612274,8.099222485,814.7625645,97.48398002,0.893138559,0.106861441,1304.574984,36.11890064,10.92671667,1603.529962,40.04410022,11.70466603,2251.223876,47.44706393,13.10608244,4.696410427,4.696410427,10198.08083,10144.30857,100.4231352,1.005300732,101.5511098,101.0156529,7.231372518,10.48334684,20.90059,0.993694411,8.802454034,12.16454006,15.04236175,47.56656308,12.91237155,4.573617534,21.69654161,18.85433961,23.47559033,0.791028935,17.56248463,14.86762283,27.09826214,12.00783458,2.939525847,17.01434531,5.063492244,20.02204594,0.936716363,8.935227563,13.7067167,3.403155335,16.983215,0.154656658,12.23028025,4.691707211,3.967913899,9.371537484,4.346455835,13.70832986,0.75863474,13.05349671,1.509677218,8.569794274,0.093636263,5.611663925,1.822198505,2.282491897,4.850387424,0.024292437,5.435375894,0.840477312,8.525938854,2.324861212,0.739892833,3.473089724,0.184014627,3.69984568,0.064139243,4.585557809,2.636303679,0.90682964,3.115267787,0.012905397,3.168991684,0.145997837,1.169703484,1.725787705,0.169517156,3.244654477,2.329514274,11.39986962,3.015578448,12.11613451,0.9545987,3.336587465,5.088073107,2.786926449,7.133677966,0.105857825,5.981529136,2.92335168,8.884925315,3.510310242,0.825585592,5.066260902,0.736505641,5.427335421,0.104393383,4.020746574,3.815839634,0.876596384,4.647756772,0.041627862,4.17227226,0.443726519,1.047836309,2.865498149,0.675806097,4.574264697,8.531756853,13.05037825,17.68366397,44.62127342,11.50657684,6.060745636,20.89019763,17.6016242,22.50299884,0.717578136,17.95129045,13.7805344,26.99127947,11.53465917,2.907344672,16.69107884,4.609469801,20.24879565,0.854976617,9.954073844,13.28068757,3.597087278,16.24557546,0.145908982,12.12022716,4.225190774,4.562095432,8.825972688,3.968245782,13.39267869,3.366374281,10.7714958,3.429968961,15.7582284,2.066891288,2.828390091,7.389870338,4.016104527,8.988015078,0.184101712,6.789585332,4.572790267,10.62809819,4.467426548,1.002154974,6.34427961,1.247066531,6.735530573,0.173996408,4.177788358,4.804075636,0.960884772,6.038782392,0.061407938,5.001677458,0.836989161,1.012224467,3.757934324,1.126185817,5.667911935,10.81086824,12.7258015,21.26797457,63.44509675,18.82273255,5.609048836,27.73264173,26.58403343,30.4024549,1.093087029,22.44647892,19.39500798,34.64591879,15.60968868,3.770126303,21.96767227,6.928956359,26.41518362,1.34396289,11.15232575,18.13356039,4.617436812,21.99432887,0.187144148,15.5259835,6.755554044,5.545850942,11.8272048,5.88593525,17.12611584,7.13891687,15.92322184,20.71433743,29.8517542,5.482759854,14.48875531,14.76612555,11.71802342,16.36145119,0.386629133,17.00885095,8.766769567,28.88839239,8.798704261,2.654297424,12.75323289,2.796078587,18.16547736,0.510411565,16.12225917,10.21162252,5.086282493,11.55151738,0.099846711,11.02049911,2.223230326,6.556006116,6.37982218,2.22599517,11.14320951,40.42450989,0.786168056,0.482173628,0.969578917,0.018856183,0.566119428,0.669015042,0.583327299,41.69285157,51.65116044,108.6677109,0.954368376,1.818461769,39.51705805,0.295011629,0.088911501,0.990378103,0.007393593,0.541075403,0.094383737,0.019834501,39.90098118,15.19774255,56.13525327,0.985567155,0.655293642,39.2769452,0.501252236,0.250939243,0.981208901,0.012522185,0.534482784,0.272657557,0.157994716,40.02913668,29.66956737,74.6391097,0.971813351,0.965135057,40.551804,0.755664403,0.458569898,0.970927712,0.018092796,0.56969307,0.618306277,0.527614206,41.7660383,49.58591636,105.4041665,0.956391568,1.715613553,39.33815681,0.602280235,0.331227454,0.976819739,0.014955434,0.536132541,0.393542565,0.275269471,40.2716645,36.92196362,85.04126583,0.965229609,1.204944577,40.62746745,0.816936729,0.507566994,0.968428093,0.019473143,0.571813922,0.721965784,0.646386296,41.95197117,54.225882,113.0240374,0.95264214,1.940166002,40.84838937,0.764417233,0.465660833,0.970767042,0.01816647,0.578052215,0.632360763,0.544057517,42.07846744,50.60266694,107.221493,0.956150563,1.754470495 +UMLCP0006,L,CCCCCCCCOCCOCCOCCOCCO,C8E4,38.5,0,-2.649,7.017201,74.8191,54.840962,0,0,55,21,34,0,16,0,5,0,0,0,0,0,0,0,3622.612117,3732.042128,4037.618167,3939.02419,3570.452457,3464.393552,3305.188615,2968.600642,2842.397865,8915.071623,11251.57341,14273.37164,14461.2153,13928.25445,13160.70294,11946.41318,11317.00905,10556.01451,415.834612,417.603656,784.534564,953.375296,849.396132,925.40096,797.804812,704.064256,743.781084,62.95525876,80.01369022,108.7949543,117.9039602,115.9999402,107.9059884,96.69860251,93.23290121,85.67560311,9243.166295,8013.056224,16353.50543,21183.98638,19175.32038,21008.25993,17696.80521,15821.9451,16786.96713,156.75,133.5,230.25,273,201.75,237.5,232.25,173,197.75,65.86567485,69.11189126,39.9764175,31.26209675,30.51668767,27.93865768,31.47798681,30.92292335,28.71108955,162.0922113,208.3624705,141.3205113,114.77155,119.0449098,106.1347011,113.7753636,117.8855109,106.6264092,7.560629309,7.733401037,7.76766895,7.566470603,7.259796,7.462910968,7.598141067,7.334002667,7.512940242,1.144641068,1.481735004,1.077177765,0.935745716,0.99145248,0.870209584,0.920939072,0.971176054,0.865410132,168.057569,148.3899301,161.9158953,168.1268761,163.8916272,169.421451,168.541002,164.8119282,169.5653245,2.85,2.472222222,2.27970297,2.166666667,1.724358974,1.915322581,2.211904762,1.802083333,1.997474747,0.898587746,-0.227047236,-0.487987694,0.404220753,-0.056031262,-0.286748702,0.310724926,-0.053778382,-0.184032798,1915.20644,43.0551577,-814.5290787,-50.01089738,126.4668172,115.448904,-52.33714617,67.24471499,45.71770031,2534.749838,-296.0081829,-916.8149431,138.3477711,-399.6072564,272.4200783,105.5140558,-276.0207102,166.0695774,4.919856436,-0.082540501,-1.958555274,1.945651364,0.48851049,-0.976728693,1.223958294,0.077914729,-0.953871913,11.10684526,-2.651898603,-3.366207952,2.784148282,-3.590817002,0.702518453,2.029572321,-2.536017167,0.331377549,62.15972112,-16.80821596,-17.86633848,19.92575092,-22.48133391,2.411820674,14.39468175,-16.05538423,0.598805364,44.70909091,-1.987107438,-15.02033058,11.57553719,4.77338843,-6.589586777,7.973553719,1.75322314,-5.921818182,0.016337959,-0.004204578,-0.004831561,0.003208101,-4.79E-04,-0.00231249,0.002959285,-5.60E-04,-0.001858917,34.82193527,0.797317735,-8.064644343,-0.396911884,1.080912967,0.931039548,-0.498449011,0.700465781,0.461794953,46.08636069,-5.481633016,-9.077375674,1.097998183,-3.415446636,2.196936115,1.00489577,-2.875215732,1.677470479,0.089451935,-0.001528528,-0.019391636,0.015441677,0.004175303,-0.007876844,0.011656746,8.12E-04,-0.00963507,0.201942641,-0.049109233,-0.033328792,0.022096415,-0.030690744,0.005665471,0.01932926,-0.026416845,0.003347248,1.130176748,-0.311263259,-0.17689444,0.15814088,-0.192148153,0.019450167,0.137092207,-0.167243586,0.006048539,0.812892562,-0.036798286,-0.148716144,0.091869343,0.040798192,-0.053141829,0.075938607,0.018262741,-0.059816345,-0.257350287,-0.295726126,0.19635875,-0.029312087,-0.141540907,0.181129418,-0.034287727,-0.113779031,0.022896997,-0.231596673,-0.011398329,0.031041151,0.026737157,-0.014314225,0.020115648,0.013261611,-0.118942631,-0.196964471,0.023824797,-0.074109706,0.047669985,0.021804624,-0.062387563,0.036398415,-0.0170877,-0.216782749,0.172625416,0.046676501,-0.088056723,0.130312951,0.00907316,-0.107712257,-0.24318407,-0.165040882,0.109419263,-0.151977529,0.028054854,0.095716586,-0.130813608,0.016575241,-0.275411133,-0.156519271,0.139925795,-0.17001602,0.017209845,0.121301564,-0.147980027,0.005351852,-0.045268326,-0.182946863,0.113015357,0.05018891,-0.065373742,0.093417766,0.022466365,-0.073584565,1.256101123,1.598185169,0.892618801,0.618450294,1.129676837,0.983185619,0.768486025,1.195953193,1.139053625,1.36193735,1.023293415,0.869710045,0.94629913,1.039702988,0.910283268,0.981075878,1.543089156,1.283289659,0.929242226,1.134175109,0.873251717,0.918946363,1.097216373,0.878324951,0.948264255,1.565553627,0.963518011,0.52704127,1.130451043,1.071500395,0.707880259,1.234655982,1.801190949,1.285395452,0.836401202,1.234638234,0.873646252,0.83387422,1.180744017,0.877164948,1.853606842,1.296711503,0.810732532,1.240796354,0.883514684,0.814947751,1.190242299,0.89034121,0.984139894,1.288527897,0.826773369,0.423248976,0.95942817,0.93173764,0.550433357,1.076657178,267.6685157,134.4592579,212.0845917,268.7994681,12.79997467,134.4592579,1.25,0.095719048,0.00455805,-4.927309715,182.4520553,8.688193111,10.9336236,267.7796713,134.5129996,212.1726473,268.9073013,12.80510959,134.5129996,1.246327895,0.095388286,0.004542299,-4.934578936,182.5158899,8.691232851,10.9343582,366.533616,182.2693218,291.4331078,364.728641,17.36803052,182.2693218,-1.99497239,0.103355391,0.004921685,-4.766121847,175.0106262,8.333839344,10.84617806,267.8963321,134.569403,212.2650683,269.0204752,12.81049882,134.569403,1.242474001,0.095041511,0.004525786,-4.942227196,182.5836078,8.694457516,10.93513721,471.4560837,233.0223062,376.672783,466.5599906,22.21714241,233.0223062,-5.411471322,0.207316114,0.009872196,-3.304372112,174.0045057,8.285928844,10.83407051,279.3135829,140.0896269,221.3301341,280.096809,13.33794328,140.0896269,0.865670929,0.062846374,0.002992684,-5.810830288,193.4865774,9.213646545,11.0569371,227.1040164,114.6262267,180.3307834,228.9746756,10.90355598,114.6262267,2.916666667,0.274984472,0.013094499,-2.711185365,266.6679814,12.69847531,11.73060918,0,11.99617787,15.99999988,-0.418374424,0.092823025,3.719716685,7.372410961,20,54,54,54,20,0,0,0,0,0,44.833038,3.517962014,3.46166308,3.375661227,3.271458821,3.1396417,2.970377587,2.815297262,2.514876969,1.91363723,1.755533272,1.713392062,1.643757634,1.55102456,1.469217552,1.412064508,1.178718234,3.52372206,3.363502326,3.310567266,3.22487803,3.089760474,2.939773645,2.84090914,2.477893159,1.858996667,1.754825945,1.706550191,1.638433865,1.531506427,1.415337677,1.335884121,1.090744337,3.661427156,3.586902852,3.513857034,3.428061914,3.307526293,3.157981909,3.040322048,2.748388795,1.67316283,1.501289226,1.463406279,1.380966453,1.26135606,1.140320077,1.064733817,0.753843291,3.542167794,3.350970702,3.309806974,3.220402746,3.089423446,2.953192129,2.869379992,2.505849413,1.827531817,1.762265508,1.697702412,1.62218496,1.51483263,1.384958383,1.286056473,1.038809866,3.716258137,3.61484763,3.554349773,3.47804956,3.359999589,3.223270733,3.126349796,2.841134867,1.618021267,1.462156511,1.415265805,1.333510487,1.206753331,1.070380396,0.982263853,0.654242564,4.550554684,3.829955956,3.725425806,3.591807131,3.515005818,3.350472722,3.22158295,2.929920318,1.746153445,1.529066861,1.454599383,1.377971765,1.279924935,1.195831396,1.155711335,0.844477151,0,0,0,0,0,10,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.43502884,10.41421356,7.01040764,4.707106781,3.151650429,2.103553391,1.399048519,0.926776695,0.735001373,0.520710678,0.368968823,0.261505932,0.185391202,0.131472087,0.093269901,0.066198335,13.68680848,8.332735624,4.940863493,2.993878589,1.810805635,1.063926593,0.625375525,0.362096869,0.651752785,0.416636781,0.260045447,0.166326588,0.106517979,0.066495412,0.041691702,0.025864062,28.78506819,54.74654042,52.07843137,52.92,31.97662395,425.5102467,0.523364876,0.995391644,0.94688057,0.962181818,0.581393163,7.73654994,2.4056,83.7378,152.8088462,242.3409835,305.6176923,14.55322344,152.8088462,7.77E-16,3.70E-17,-73.06086988,2000109.977,95243.33224,30.46829672,600,1,0,5,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,16,0,0,0,0,0,0,0,0,0,0,0,1,0,15,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.700394505,0,29.74705951,0,0,3.54427566,0,0,3.711810292,0,0,3.775266596,0,0.700394505,0,0,0,0,0,0,0,0,0,0,0,0,0,7.456295025,0,0,0,0,0,0,0,0,0,0,0,2.235369352,0,12.51757114,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.494154246,0,21.25290526,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.700394505,0,5.060399007,0,0,3.54427566,0,0,3.711810292,0,0,3.775266596,0,0.700394505,0,0,0,0,0,0,0,0,0,0,0,0,0,0.229088561,0,0,0,0,0,0,0,0,0,0,0,2.235369352,0,0.057391975,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.494154246,0,5.060399007,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.700394505,0,8.494154246,0,0,3.54427566,0,0,3.711810292,0,0,3.775266596,0,0.700394505,0,0,0,0,0,0,0,0,0,0,0,0,0,0.644513889,0,0,0,0,0,0,0,0,0,0,0,2.235369352,0,1.35183642,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.494154246,0,5.502706674,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,44.5,2.119047619,0.700394505,8.494154246,-0.011836206,0.057391975,6.999148851,1.442608025,2.494154246,19.96485772,1.442608025,2.494154246,19.96485772,9.66665,0.46032,0,0.03968,0.52242,0.88254,0.42923,0.52242,0.85606,0.09319,0,-0.09319,0.02648,0.52158,0.19271,0,0.08621,0,0,12.25,0.58333,12.25,0.58333,0,0,-12.25,-0.58333,0,0,22.40839,1.06707,29.27079,6.8624,0.32678,8.06108,0.38386,10.41421,2.35313,0.11205,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,20.05,5,5,5,5,1,1,1,1.261661948,1.808557787,2.899822041,3.70276846,4.090564832,4.283531706,69.39140717,99.47067829,159.4902123,203.6522653,224.9810658,235.5942438,0.218229277,0.312825681,0.501581321,0.640466714,0.707543733,0.740921153,4.519697765,3.972801926,2.881537673,2.078591253,1.690794881,1.497828007,0.219233121,0.314264664,0.503888571,0.643412831,0.710798401,0.744329356,11.68117705,17.20529255,21.58028757,24.90096956,26.67108866,27.69055577,76.91272051,60.59761889,51.3274297,40.13929126,34.51971527,30.96008452,21,20,20,21,0,8,2.67,2.6565,0,2.114246367,0,0,19.56820554,0,0,0,0,0,0,0.602401336,1.321802152,0,0,0,0,0,0,0.259,1.229,1.279,1.122,0.29,9.976,19,18,17,16,15,14,13,12,11,176,3.044522438,2.995732274,2.944438979,2.890371758,2.833213344,2.772588722,2.708050201,2.63905733,2.564949357,2.48490665,5.176149733,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18,0.9,20,1,1,10,20,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.025,0.011695906,0.006944444,0.004705882,0.003472222,0.002721088,0.002232143,0.001899335,0.001666667,0.00150263,0.075665581,152.8088462,242.3409835,305.6176923,14.55322344,152.8088462,7.77E-16,3.70E-17,-73.06086988,2000109.977,95243.33224,30.46829672,57.15,329.2433462,5.392317423,4.369447852,5.030437921,5.700443573,6.371611847,7.046647278,7.721791777,8.399085103,9.076237387,9.754813515,104.4705163,3.713572067,0,4.762173935,0,5.932245187,0,7.158513997,0,8.416488487,8.757469141,306.2406242,5.568011349,40.82842745,1.944210831,14.32793495,14.32793495,0,1540,18,2.367,78,1.241518519,2.124096784,2.843049801,3.621483796,4.824196911,5.894872435,7.10850348,8.110633687,9.405143597,10.49415922,98.17509063,92.75814527,107.3863903,139.2367965,160.1081818,216.6935717,249.7117613,264.5377615,324.9472968,359.567605,281.6006951,317.3373588,359.4954293,501.6558693,565.870427,740.1633595,901.9217992,935.6666155,1130.755759,1345.346383,9.690354793,16.56074485,21.65759957,26.6864868,36.29598301,45.32570619,52.51782986,61.4615165,72.37628235,77.74525738,1.944913967,2.381698313,2.826809149,3.989511196,4.478151049,5.807898643,7.233356337,7.390257022,8.888218633,10.83690501,182.5472891,341.057069,474.9109406,580.3314644,808.9325221,982.4752921,1161.827853,1363.176776,1582.759684,1709.623368,3.199138889,4.948381762,6.504054006,6.805819553,9.680503449,13.90838715,13.37330535,16.9466829,22.02306056,20.01862175,0.453483039,0.579200075,0.671847263,0.921781722,1.090770312,1.402477026,1.699868119,1.824418022,2.168516338,2.534310952,799.461372,1807.803493,38.29048188,236.7088372,-535.2642136,-47.24562869,562.7525348,2343.067706,85.53611057,0.771554099,1.744697422,0.036953853,0.228445901,-0.516579428,-0.045596397,828.3780571,1873.192123,39.67545662,245.2706453,-554.6248322,-48.95451297,0.092793763,0.173961691,1.631966543,7.966404165,916.6003665,119.5698427,0.884604053,0.115395947,1562.016351,39.52235255,11.60277468,1899.719473,43.58577146,12.38501371,2738.290394,52.3286766,13.99028304,5.070186982,5.070186982,15947.41852,15884.09194,116.635929,1.003986793,136.728182,136.1852397,7.964698748,12.80723048,24.37102078,0.90291108,9.91805644,13.87857934,18.56184529,53.60739084,13.45116541,5.954244574,26.98525192,23.47194504,24.97989662,0.791122821,24.0498887,14.965942,38.96471132,12.00841412,3.250464004,20.93397387,5.363049532,22.96370593,0.936716364,15.14488216,13.94434142,6.061939198,17.8805686,0.157948016,17.60068201,4.738527255,18.07964453,9.371538462,6.675195991,17.01197326,0.852259758,15.02161316,1.883094753,9.309237671,0.097434784,7.461651602,2.170728178,3.106270528,4.946951579,0.024383886,6.894923162,0.841170441,12.44773239,2.324865322,1.13782779,3.702412395,0.194459699,4.151939277,0.064139243,8.559819717,2.637978321,2.515060593,3.124167149,0.016659608,3.805568994,0.151247514,4.374621412,1.725787786,0.862366165,3.277894433,2.63174656,12.89551502,3.684902355,13.52232563,0.994147428,4.420752659,6.2759749,3.515774648,7.464221391,0.105949335,7.778053063,2.930568507,12.91460858,3.510352849,1.041661537,5.868078121,0.767334713,6.044621835,0.104393383,7.353578573,3.833282595,1.963828993,4.720147174,0.045450533,5.119199392,0.452798018,4.983936688,2.865498413,1.199963816,4.841623337,9.584794594,15.01752393,22.00640178,50.44263195,11.98664555,7.908531544,25.81667851,21.99144231,23.90258435,0.717671805,24.51177522,13.8681373,38.85167862,11.53517555,3.319556267,20.32241105,4.877681943,23.92140407,0.854976617,16.72234834,13.49240763,7.006762271,17.04684321,0.1492954,18.31407179,4.284079419,18.24689391,8.825973611,6.399233792,16.34277402,3.811808952,12.08759801,4.121691136,17.72485428,2.152788212,3.742639337,9.204161525,4.949225439,9.494938477,0.184193399,8.985098371,4.58846474,15.41721945,4.467519027,1.148697363,7.592373974,1.30335965,7.329867675,0.173996408,7.647918998,4.841961539,1.79837098,6.189752867,0.065229694,6.039790446,0.845945517,6.072931731,3.757934712,1.658485769,6.224683006,12.15811971,14.60016014,26.38117198,71.24244574,19.60851284,7.270103862,34.43041745,33.16835372,32.31728304,1.093182102,30.79471635,19.53839725,49.76114441,15.61053379,4.14902238,27.03357521,7.360135647,30.68243186,1.34396289,18.52809194,18.48011035,8.222306576,23.29478773,0.19003992,23.313539,6.823966021,23.82279122,11.82720598,9.180754211,21.91289318,7.894292363,18.64035704,25.80941804,34.2542347,5.74460372,18.48349132,17.97133674,14.87293054,17.33697861,0.388975788,22.78773365,8.859901016,40.61973123,8.850330692,3.35416948,15.05773224,2.946171371,22.65495309,0.513392064,25.24896977,10.37259949,9.852581712,12.00870491,0.104006958,18.34021273,2.306330779,19.12669532,6.417076071,5.708813775,11.87328307,54.89003886,0.789553369,0.480867603,0.977378729,0.014058884,0.569633926,0.674459506,0.581812863,56.16045983,70.11312712,147.1137229,0.966068094,1.825906295,52.85335658,0.293796196,0.08699595,0.992846844,0.005518942,0.528143875,0.093475217,0.01904278,53.23414873,20.15170217,74.73673402,0.989270267,0.640661872,53.3517676,0.50115,0.24891567,0.98613604,0.009263087,0.538151624,0.271979135,0.15589664,54.10183327,40.14207337,100.8992242,0.97920406,0.966027399,54.86209122,0.757197914,0.456001207,0.978364818,0.013503237,0.569054219,0.620272751,0.523195821,56.07529034,66.90392398,141.9221707,0.967547227,1.71252279,53.70170751,0.604265011,0.330240368,0.982895861,0.011059789,0.545234315,0.395399377,0.274405366,54.63621289,50.38408719,115.7366208,0.974343792,1.215039059,55.10070022,0.820470405,0.50611697,0.976490322,0.014540313,0.574015576,0.72811428,0.64451656,56.4272876,73.51114725,152.8192208,0.964735483,1.946646416,55.30265062,0.767557718,0.463951645,0.978216544,0.013576884,0.578230946,0.637230553,0.541598832,56.53415998,68.46184167,144.6898101,0.967324817,1.757060331 +UMLCP0007,L,CCCCCCCCOCCOCCOCCOCCOCCO,C8E5,58.6,0,-2.7799,7.72784401,85.8626,61.830134,0,0,62,24,38,0,18,0,6,0,0,0,0,0,0,0,4171.172616,4309.062579,4681.178714,4600.521009,4199.965516,4114.050483,3966.685434,3598.113701,3492.054796,10102.83118,12739.49578,16151.51602,16435.97585,15999.45826,15225.34979,13921.17372,13388.21287,12620.66136,471.141216,473.682468,891.934976,1075.0371,960.819328,1073.112156,919.466616,815.487452,891.49228,70.95471438,89.93544746,121.7450093,132.496665,132.1543263,123.5237208,111.2913073,109.3872873,101.2933355,10421.8769,9059.027428,18510.04904,23715.92429,21573.45238,24274.30945,20228.74311,18220.07711,20053.01665,177.5,152.25,265,313.75,230.5,278.25,273,201.75,238.5,67.27697768,70.64037015,41.06297118,32.62780857,31.81792058,28.7695838,33.05571195,32.41543875,29.59368471,162.94889,208.8441931,141.6799651,116.5672046,121.2080171,106.4709776,116.009781,120.6145303,106.9547573,7.599051871,7.765286361,7.823991018,7.624376596,7.278934303,7.504280811,7.6622218,7.346733802,7.555019322,1.144430877,1.474351598,1.067938678,0.93969266,1.001169139,0.863802244,0.927427561,0.985471057,0.858418098,168.0947887,148.5086464,162.3688513,168.1980446,163.4352453,169.7504158,168.5728592,164.1448388,169.9408191,2.862903226,2.495901639,2.324561404,2.225177305,1.746212121,1.945804196,2.275,1.817567568,2.021186441,1.06368707,-0.258573259,-0.600891394,0.497626838,-0.057203247,-0.378982802,0.404131011,-0.054950367,-0.2762669,2189.762196,67.82828759,-934.1946579,-86.48255672,152.0153621,157.8215946,-89.24661888,91.05583108,84.65158275,2850.541661,-351.1264047,-991.0357744,169.2057151,-530.6001279,383.6594038,136.5204912,-405.8138458,275.5883162,5.845359484,-0.104374589,-2.51428447,2.307884916,0.64083568,-1.329324874,1.580805902,0.202559247,-1.318945856,12.48277509,-3.257342677,-3.577392955,3.51597487,-4.671807166,1.052678854,2.761535877,-3.616159952,0.681176916,69.99719866,-20.7474268,-19.06009759,25.13620002,-29.16053662,3.875947438,19.60234357,-22.75139191,2.068202747,49.74193548,-1.971904266,-18.29968783,12.87721124,5.823621228,-8.453173777,9.241415193,2.703954214,-7.847554631,0.017156243,-0.004238906,-0.005270977,0.003529268,-4.33E-04,-0.002650229,0.003367758,-4.95E-04,-0.002341245,35.3187451,1.111939141,-8.194689982,-0.613351466,1.151631531,1.103647514,-0.743721824,0.820322803,0.717386294,45.9764784,-5.756170569,-8.693296267,1.200040533,-4.019697939,2.682932894,1.13767076,-3.655980593,2.335494205,0.094279992,-0.001711059,-0.022055127,0.016367978,0.004854816,-0.009295978,0.013173383,0.001824858,-0.011177507,0.201335082,-0.05339906,-0.03138064,0.024935992,-0.035392479,0.007361391,0.023012799,-0.032578018,0.005772686,1.128987075,-0.340121751,-0.167193838,0.178270922,-0.220913156,0.027104528,0.163352863,-0.204967495,0.017527142,0.802289282,-0.032326299,-0.160523577,0.091327739,0.044118343,-0.059113103,0.077011793,0.024359948,-0.0665047,-0.247076581,-0.307233765,0.205713357,-0.025259489,-0.154476092,0.196299295,-0.028855289,-0.136466061,0.031482974,-0.232020984,-0.017366174,0.032606808,0.031248209,-0.021057425,0.023226273,0.020311772,-0.125198162,-0.189081386,0.026101184,-0.087429444,0.058354467,0.024744626,-0.0795185,0.050797588,-0.018148695,-0.233932211,0.173610305,0.051493595,-0.098599692,0.139726174,0.01935573,-0.118556515,-0.265224817,-0.155862752,0.123853189,-0.175788929,0.036562881,0.114300989,-0.16180994,0.028672031,-0.30126275,-0.148091898,0.157903422,-0.195673769,0.024007828,0.144689755,-0.181549904,0.015524661,-0.040292573,-0.200081917,0.113833927,0.054990567,-0.073680535,0.095990056,0.030363048,-0.082893667,1.24888269,1.641764417,0.915001733,0.610002356,1.166430523,1.001682267,0.737581693,1.238219588,1.114074854,1.36502601,1.040090178,0.867178971,0.948538898,1.059365438,0.903344523,0.980247117,1.542180053,1.264364031,0.927775785,1.161373699,0.858131327,0.917740402,1.133449154,0.85837339,0.947284768,1.605048728,0.989089165,0.516834304,1.160237263,1.091697882,0.668513883,1.261460188,1.824259556,1.264786581,0.822273063,1.276862178,0.857223316,0.816829571,1.236806165,0.855764392,1.881682372,1.278539799,0.79434643,1.284328094,0.869049774,0.794732328,1.247965134,0.87114151,0.975032425,1.341970157,0.863214164,0.42735723,0.990496857,0.96062473,0.538590633,1.093823507,346.384693,173.9423465,274.1085756,347.759693,14.48998721,173.9423465,1.5,0.086897666,0.003620736,-5.863257855,287.8407587,11.99336495,13.58977777,346.5401026,174.017848,274.232596,347.9110633,14.4962943,174.017848,1.495593475,0.086592974,0.003608041,-5.871687847,287.3378204,11.97240918,13.58558064,484.4614355,241.0337343,385.1694206,482.2669659,20.09445691,241.0337343,-2.393966868,0.091513717,0.003813072,-5.739039383,239.254719,9.968946626,13.14606901,346.7032086,174.0970887,274.3627621,348.06993,14.50291375,174.0970887,1.490968801,0.086273566,0.003594732,-5.880556865,286.8164594,11.95068581,13.58122199,630.7733064,312.1397704,503.6816751,624.8206879,26.03419533,312.1397704,-6.493765586,0.181936265,0.007580678,-4.089837224,310.1762583,12.92401076,13.76913771,362.6635562,181.8511806,287.1174561,363.6157942,15.15065809,181.8511806,1.038805115,0.056775158,0.002365632,-6.884775379,255.440407,10.64335029,13.30317394,287.8410693,145.1894151,227.5251761,290.0884862,12.08702026,145.1894151,3.484126984,0.258448539,0.010768689,-3.247340834,333.6523388,13.90218078,13.94423892,0,11.99616336,16.0008006,-0.418386615,0.093175127,3.719669467,7.372444493,23,61,61,61,23,0,0,0,0,0,51.121866,3.518273291,3.47354433,3.406128091,3.31921851,3.217896487,3.087740211,2.935827618,2.805514945,1.913637236,1.755686577,1.722344334,1.670811353,1.597865269,1.516920099,1.454302281,1.403225751,3.523722351,3.369898585,3.326042639,3.263716718,3.163901965,3.036992228,2.912709419,2.833122033,1.858997841,1.760814859,1.720512799,1.66898501,1.589645624,1.488638617,1.393441233,1.326752763,3.661457797,3.596229138,3.537971382,3.466266558,3.377379282,3.257981016,3.128115898,3.031228456,1.673162881,1.504135725,1.475159134,1.415734848,1.324522987,1.215797649,1.119238463,1.056280127,3.542167839,3.354133744,3.32264049,3.258446867,3.159260233,3.039566656,2.929624811,2.861660255,1.827562384,1.77050548,1.71855992,1.655445501,1.576112987,1.470128119,1.358769188,1.276748258,3.716261418,3.622395413,3.572808068,3.512375529,3.426187072,3.312106441,3.197126508,3.117489456,1.618021477,1.467630868,1.428945195,1.370023862,1.275374086,1.157467611,1.045933161,0.974011641,4.558057251,3.844336846,3.769357297,3.655842072,3.562658426,3.471031097,3.320119104,3.213803355,1.744096128,1.526977869,1.46209499,1.406448477,1.328985263,1.246001396,1.182405831,1.150629019,0,0,0,0,0,12,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.55634919,11.91421356,8.071067812,5.457106781,3.681980515,2.478553391,1.664213562,1.114276695,0.731514549,0.518009285,0.366866719,0.259862228,0.184099026,0.130450178,0.092456309,0.065545688,15.50927033,9.410085893,5.553235929,3.365887057,2.030718837,1.188926593,0.701311436,0.406986464,0.646219597,0.409134169,0.252419815,0.160280336,0.101535942,0.062575084,0.038961746,0.02394038,32.5835229,61.85287691,58.87843137,59.84,36.05397246,479.7212778,0.525540692,0.997627047,0.949652119,0.96516129,0.581515685,7.737439965,2.4222,94.5568,199.7089457,316.5977588,399.4178913,16.64241214,199.7089457,1.28E-15,5.32E-17,-82.30668848,234.1002276,9.754176149,13.09379843,794,1,0,6,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,18,0,0,0,0,0,0,0,0,0,0,0,1,0,17,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.698608169,0,35.21667087,0,0,3.537786298,0,0,3.703450558,0,0,3.759602586,0,0.698608169,0,0,0,0,0,0,0,0,0,0,0,0,0,8.839301816,0,0,0,0,0,0,0,0,0,0,0,2.236072079,0,13.54725705,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.512224115,0,26.70444676,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.698608169,0,5.064049425,0,0,3.537786298,0,0,3.703450558,0,0,3.759602586,0,0.698608169,0,0,0,0,0,0,0,0,0,0,0,0,0,0.230824672,0,0,0,0,0,0,0,0,0,0,0,2.236072079,0,0.048807907,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.512224115,0,5.064049425,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.698608169,0,8.512224115,0,0,3.537786298,0,0,3.703450558,0,0,3.759602586,0,0.698608169,0,0,0,0,0,0,0,0,0,0,0,0,0,0.656859568,0,0,0,0,0,0,0,0,0,0,0,2.236072079,0,1.349348388,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.512224115,0,5.526826919,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,51,2.125,0.698608169,8.512224115,-0.021382692,0.048807907,7.495761036,1.451192093,2.512224115,23.9054859,1.451192093,2.512224115,23.9054859,10.99998,0.45833,0,0.04167,0.52903,0.89167,0.42973,0.52903,0.868,0.0993,0,-0.0993,0.02367,0.51402,0.20027,0,0.07576,0,0,14.25,0.59375,14.25,0.59375,0,0,-14.25,-0.59375,0,0,26.22328,1.09264,34.86202,8.63874,0.35995,9.05736,0.37739,11.91421,2.85685,0.11904,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,23.06,6,6,6,6,1,1,1,1.27694356,1.794148926,2.824826978,3.570106995,3.94176244,4.146553265,79.1705007,111.2372334,175.1392726,221.3466337,244.3892713,257.0863024,0.214461112,0.301325121,0.474426242,0.599595111,0.662014189,0.696408558,4.677252751,4.160047384,3.129369332,2.384089315,2.01243387,1.807643046,0.21530941,0.30251701,0.47630283,0.601966803,0.664632779,0.699163195,11.86765274,17.14261275,21.20140238,24.33725357,26.13337497,27.28207759,88.04540169,70.55279594,61.21588524,49.67233954,43.28387052,38.68141842,24,23,23.04761905,24,0,8,2.78,2.997,0,2.103195714,0,0,22.20094318,0,0,0,0,0,0,0.639753249,1.892080006,0,0,0,0,0,0,0.259,1.44,1.505,1.307,0.304,11.334,22,21,20,19,18,17,16,15,14,209,3.17805383,3.135494216,3.091042453,3.044522438,2.995732274,2.944438979,2.890371758,2.833213344,2.772588722,2.708050201,5.347107531,1,0.47826087,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21,0.913043478,23,1,1,12,23,0.916666667,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.02173913,0.01010101,0.005952381,0.004,0.002923977,0.002267574,0.001838235,0.00154321,0.001333333,0.001180638,0.065690449,199.7089457,316.5977588,399.4178913,16.64241214,199.7089457,1.28E-15,5.32E-17,-82.30668848,234.1002276,9.754176149,13.09379843,66.38,372.6255422,5.584962501,4.510859507,5.176149733,5.84932478,6.523562306,7.201170883,7.878912912,8.558527055,9.238052811,9.918819417,111.8553794,3.850147602,0,4.905274778,0,6.079933195,0,7.309881486,0,8.571113033,8.910720662,350.2668389,5.649465144,46.82842717,1.951184465,17.3279172,17.3279172,0,2300,21,2.177,90,1.242967213,2.123596671,2.842970142,3.628596721,4.815448608,5.901183411,7.100712103,8.086570586,9.402885859,10.48525569,100.2278317,95.10636587,111.9541975,144.9451248,164.5826442,227.1056618,261.2545499,272.0544136,344.4269527,379.6555745,282.1494216,317.7481535,365.0829633,510.5141058,566.8437675,754.1477457,921.2152304,936.6134761,1157.139498,1374.939452,9.747312674,16.6780476,21.83068407,26.82228393,36.44552501,45.7759919,52.57260272,61.64892338,73.04456132,77.8148957,1.934194386,2.358818981,2.838942934,4.027300658,4.436610793,5.847697558,7.325247212,7.311332043,8.976367769,10.96972908,182.9891424,341.9824179,475.1378513,579.972765,809.0846879,984.0995064,1155.89286,1362.175519,1581.999585,1700.81881,3.239004098,5.04438195,6.686882607,6.911284808,9.826004612,14.32228428,13.48937289,17.11077173,22.70548361,20.1496663,0.455068387,0.58055431,0.679980059,0.935374241,1.092743058,1.422869323,1.727290408,1.825520747,2.206166608,2.576751798,867.4867686,2287.774829,42.30655398,242.2052581,-638.7545182,-49.18466082,625.2815106,2926.529348,91.4912148,0.781736507,2.061630411,0.03812459,0.218263493,-0.575614227,-0.044322803,962.6431504,2538.725487,46.94724562,268.7732437,-708.8207958,-54.57982595,0.079565007,0.149161567,1.413393163,5.738983276,984.4487867,125.24324,0.887136938,0.112863062,1819.457718,42.65510189,12.20807876,2195.908985,46.86052694,12.99784774,3228.471992,56.81964442,14.77970189,5.358884581,5.358884581,23556.78604,23485.39307,131.3607873,1.003039888,179.3289043,178.7854166,8.652673622,13.94683308,27.86225877,0.997748063,11.03365885,15.59261862,22.08132883,59.6482186,13.98995927,7.334871614,32.27396223,28.08955047,26.48420291,0.791216707,30.53729277,15.06426117,50.83116049,12.00899366,3.561402162,24.85360244,5.66260682,25.90536591,0.936716364,21.35453675,14.18196615,8.720723061,18.77792219,0.162630367,22.91658982,4.738527296,32.49205937,9.371538475,8.469366893,19.96262358,0.945884777,16.98972961,2.256512289,10.04868107,0.101233304,9.311639279,2.519257852,3.930049158,5.043515734,0.024475334,8.35447043,0.84186357,16.36952592,2.324869432,1.535762746,3.931735065,0.204904772,4.604032875,0.064139243,12.53408163,2.639652963,4.123291546,3.13306651,0.020423615,4.441762498,0.151247531,7.583143167,1.725787786,2.206806771,3.309652354,2.933978846,14.39116043,4.354226262,14.92851676,1.033696156,5.504917853,7.463876692,4.244622847,7.794764815,0.106040846,9.574576989,2.937785334,16.94429185,3.510395456,1.257737483,6.66989534,0.798163786,6.66190825,0.104393383,10.68641057,3.850725555,3.051061603,4.792537577,0.049375296,6.062126977,0.452798033,8.94592743,2.865498414,2.044051469,5.08619358,10.63783234,16.9846696,26.3291396,56.26399048,12.46671425,9.756317452,30.7431594,26.38126041,25.30216985,0.717765473,31.07225998,13.9557402,50.71207776,11.53569193,3.731767861,23.95374327,5.145894085,27.5940125,0.854976618,23.49062283,13.70412769,10.41643726,17.84811095,0.153921168,24.45936329,4.284079461,32.20061237,8.825973622,8.716795101,18.97924167,4.257243623,13.40370022,4.81341331,19.69148016,2.238685137,4.656888584,11.01845271,5.88234635,10.00186188,0.184285086,11.18061141,4.604139213,20.20634072,4.467611507,1.295239752,8.840468337,1.35965277,7.924204776,0.173996408,11.11804964,4.879847442,2.635857188,6.340723343,0.069273205,7.069215883,0.845945534,11.18621867,3.757934714,2.284334624,6.729061372,13.50537118,16.47451877,31.49436938,79.03979473,20.39429313,8.931158887,41.12819317,39.75267402,34.23211118,1.093277175,39.14295377,19.68178653,64.87637003,15.61137891,4.527918456,32.09947815,7.791314935,34.94968009,1.34396289,25.90385813,18.82666032,11.82717634,24.59524658,0.194964325,31.0216202,6.823966074,42.53339519,11.827206,11.56043876,26.18066483,8.647152488,21.36127682,30.92362345,38.65751753,6.001618905,22.4955265,21.1862966,18.04113785,18.2998634,0.390835245,28.59683863,8.942348647,52.41984125,8.890853553,4.056919891,17.36643034,3.093952345,27.16139454,0.515728317,34.43753823,10.52160962,14.65556989,12.45485904,0.108669711,24.92239137,2.316826059,30.89118561,6.44627775,9.107338077,13.22178487,71.48631106,0.781520077,0.479856486,0.982660939,0.010742885,0.571162773,0.675893209,0.580640408,72.74768762,90.54617488,190.1024786,0.973991409,1.827696389,68.16151969,0.289930891,0.085561921,0.994521313,0.004230282,0.519299565,0.093095624,0.01846059,68.5370125,25.61896772,95.84686604,0.99178197,0.630855778,69.51623798,0.495561666,0.247363896,0.989425926,0.007053339,0.540136393,0.272060361,0.154296879,70.25916354,51.76797426,130.5487208,0.98413889,0.966493632,71.2713005,0.748191687,0.454022754,0.983411672,0.010323657,0.567732774,0.61952464,0.519804164,72.47351494,86.02308274,182.707177,0.975117508,1.707061578,70.2065785,0.598768751,0.329476541,0.986950902,0.008417379,0.550911308,0.397168632,0.273737005,71.13482379,65.36620619,150.3514018,0.980426353,1.221816945,71.70059503,0.811909113,0.504994666,0.981964545,0.011119377,0.574589808,0.729239636,0.643069777,73.01749881,94.83279439,197.2482378,0.972946818,1.946899221,71.871028,0.759096463,0.462628869,0.983285274,0.010385386,0.577325342,0.6375207,0.539696967,73.09275334,88.15783553,186.4902521,0.974927911,1.754543008 +UMLCP0008,L,CCCCCCCCOCCOCCOCCOCCOCCOCCO,C8E6,72.5,0,-2.9108,8.47275664,96.9061,68.819306,0,0,69,27,42,0,20,0,7,0,0,0,0,0,0,0,4719.733115,4886.08303,5324.739261,5262.017828,4829.478575,4763.707414,4628.182253,4227.62676,4141.711727,11290.59074,14227.41815,18029.66041,18410.7364,18070.66208,17289.99664,15895.93427,15459.41668,14685.30821,526.44782,529.76128,999.335388,1196.698904,1072.242524,1220.823352,1041.12842,926.910648,1039.203476,78.95417,99.8572047,134.6950643,147.0893698,148.3087124,139.1414533,125.8840121,125.5416734,116.911068,11600.58751,10104.99863,20666.59266,26247.86219,23971.58439,27540.35898,22760.68101,20618.20911,23319.06618,198.25,171,299.75,354.5,259.25,319,313.75,230.5,279.25,68.4019292,71.85416221,41.9270808,33.73088351,32.85359575,29.40560132,34.2828315,33.55259333,30.23147246,163.6317499,209.2267375,141.96583,118.017541,122.929674,106.7283743,117.7476612,122.6937832,107.1920307,7.629678551,7.790607059,7.868782583,7.671146821,7.29416683,7.535946617,7.71206237,7.356433714,7.585426832,1.144263333,1.468488304,1.060591057,0.942880576,1.008902805,0.85889786,0.932474164,0.996362487,0.85336546,168.1244566,148.6029211,162.729076,168.2555269,163.0720026,170.0022159,168.5976371,163.6365802,170.2121619,2.873188406,2.514705882,2.36023622,2.272435897,1.763605442,1.969135802,2.324074074,1.829365079,2.038321168,1.228786393,-0.290099282,-0.713795094,0.591032923,-0.058375232,-0.471216902,0.497537096,-0.056122352,-0.368501,2463.661906,92.19201977,-1055.261685,-126.5847378,175.1436316,199.6928664,-129.897448,112.5995271,123.5440775,3166.135307,-406.2729705,-1064.799935,198.905355,-663.5644941,495.723764,166.2781794,-537.8822151,386.2093916,6.767138203,-0.129517649,-3.087061446,2.650144817,0.792236234,-1.694856302,1.917639168,0.330762006,-1.695772722,13.85870078,-3.862741888,-3.788148805,4.247747893,-5.753429953,1.403322109,3.493416818,-4.69710855,1.031530891,77.83445784,-24.68767082,-20.2626033,30.34602045,-35.82887394,5.330719303,24.80987581,-29.43319095,3.527096713,54.76811594,-1.959882378,-21.62392355,14.11846251,6.86357908,-10.34688091,10.4536862,3.662570888,-9.793215711,0.017808498,-0.004266166,-0.005620434,0.003788673,-3.97E-04,-0.002908746,0.00368546,-4.45E-04,-0.002689788,35.70524502,1.355764997,-8.309147122,-0.811440627,1.191453276,1.232672015,-0.962203319,0.89364704,0.901781587,45.88601895,-5.974602508,-8.384251459,1.275034327,-4.514044177,3.060023234,1.231690218,-4.268906469,2.819046654,0.098074467,-0.001904671,-0.02430757,0.016988108,0.005389362,-0.010462076,0.014204735,0.002625095,-0.012377903,0.200850736,-0.056805028,-0.029827943,0.027229153,-0.039138979,0.008662482,0.025877162,-0.037278639,0.007529423,1.128035621,-0.363053983,-0.159548057,0.194525772,-0.243733836,0.032905675,0.183776858,-0.233596754,0.025745231,0.793740811,-0.0288218,-0.170267115,0.090502965,0.046691014,-0.063869635,0.077434713,0.029068023,-0.071483326,-0.239557868,-0.315604026,0.212745201,-0.022298928,-0.163334731,0.206949507,-0.025011401,-0.151039591,0.037971032,-0.232715029,-0.02272609,0.033369139,0.034523556,-0.026948515,0.025028453,0.025256278,-0.130205292,-0.182719086,0.027786989,-0.098375154,0.066687486,0.026842386,-0.093032836,0.061435852,-0.019420664,-0.247848102,0.173216418,0.054951735,-0.106674819,0.144836215,0.026766348,-0.126209232,-0.282822104,-0.148508011,0.135569098,-0.194865999,0.043128954,0.128837773,-0.185603698,0.037487652,-0.321846204,-0.141438847,0.17244648,-0.216069273,0.029170776,0.162917602,-0.207082781,0.022823066,-0.036311349,-0.214512234,0.114020803,0.058824006,-0.080466614,0.097556673,0.036621555,-0.090058777,1.24360399,1.673763393,0.932197547,0.603858979,1.190861196,1.014208323,0.714850798,1.26244155,1.094953473,1.367812873,1.05381579,0.865456393,0.950146093,1.074412361,0.898063693,0.979088315,1.54154877,1.249262976,0.926583081,1.183261044,0.846628023,0.916919753,1.161515114,0.844168479,0.947094002,1.634775836,1.009178512,0.509725348,1.180171217,1.10583504,0.640401801,1.275612723,1.842748084,1.248238687,0.810699651,1.310767224,0.844663386,0.803519259,1.280118737,0.840471708,1.904109174,1.26400537,0.781004768,1.31916831,0.857996253,0.778963383,1.292323794,0.857387619,0.967716327,1.385799685,0.893393653,0.430758596,1.015504788,0.984081621,0.529650071,1.107922576,435.3897806,218.5698903,344.3345401,437.010151,16.18556115,218.5698903,1.75,0.077936087,0.002886522,-6.890038711,285.7783539,10.58438348,15.26908461,435.5959701,218.6704146,344.4995365,437.2115803,16.19302149,218.6704146,1.744859054,0.077660643,0.00287632,-6.899598035,285.9234644,10.58975794,15.27045525,618.4239287,307.8154837,491.509424,615.8378534,22.80880938,307.8154837,-2.792961346,0.08101421,0.003000526,-6.785452916,281.4773076,10.42508547,15.22813995,435.8123702,218.7759169,344.6727068,437.4229847,16.20085128,218.7759169,1.739463602,0.077371914,0.002865626,-6.909654852,286.0767291,10.59543441,15.27190216,812.1480248,402.2859825,647.9278704,805.1331545,29.81974646,402.2859825,-7.57605985,0.160365018,0.005939445,-4.941817285,264.1757981,9.784288818,15.05685992,456.985082,229.0985107,361.6303765,458.107248,16.96693511,229.0985107,1.211939301,0.050784408,0.001880904,-8.04644793,307.1647796,11.37647332,15.46393773,356.0230642,179.4739466,280.7138773,358.6477169,13.28324878,179.4739466,4.052380952,0.236673288,0.008765677,-3.890901476,291.3611022,10.79115193,15.32132118,0,11.99615143,16.00166369,-0.418398226,0.09362492,3.719662683,7.37245126,26,68,68,68,26,0,0,0,0,0,57.410694,3.518414977,3.481351566,3.427838753,3.355071538,3.271044833,3.169847852,3.045147714,2.909488469,1.913637237,1.755751502,1.727993673,1.688493179,1.630908109,1.561543009,1.493180412,1.442689584,3.523722377,3.374294435,3.337605223,3.288497119,3.213353778,3.111919831,2.997121329,2.893642213,1.858998002,1.764866161,1.731324203,1.688950755,1.628903802,1.547381181,1.45632883,1.377740261,3.661465864,3.602294093,3.55575925,3.494285772,3.423494122,3.331028626,3.218568312,3.106153987,1.673162884,1.506271379,1.482881807,1.438177347,1.367657427,1.278247214,1.18243405,1.104383884,3.542167842,3.356497045,3.331067065,3.282884711,3.206538893,3.10897849,3.002780719,2.913234333,1.827570842,1.775910044,1.734138762,1.679733987,1.616837344,1.533994089,1.434875072,1.339656713,3.71626195,3.627375465,3.586976829,3.535632159,3.470096534,3.38001032,3.275193482,3.178361034,1.618021495,1.471470575,1.438934257,1.393350654,1.321571842,1.226352523,1.120582509,1.028739332,4.564088492,3.853775687,3.797742347,3.709177905,3.605192854,3.54030424,3.429795274,3.298545816,1.742443604,1.525290276,1.46614801,1.424294592,1.363315674,1.291806098,1.222491026,1.173120904,0,0,0,0,0,14,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.67766953,13.41421356,9.131727984,6.207106781,4.212310601,2.853553391,1.929378605,1.301776695,0.728802575,0.515931291,0.365269119,0.258629449,0.183143939,0.129706972,0.091875172,0.065088835,17.33173218,10.48743616,6.165608365,3.737895525,2.25063204,1.313926593,0.777247346,0.451876058,0.641916007,0.403362929,0.246624335,0.155745647,0.097853567,0.059723936,0.037011778,0.022593803,36.38197761,68.9592134,65.67843137,66.76,40.13132096,533.932309,0.527275038,0.99940889,0.951861324,0.967536232,0.581613347,7.738149406,2.4388,105.3758,252.8623993,400.7554646,505.7247986,18.7305481,252.8623993,2.78E-16,1.03E-17,-96.71537656,2000177.231,74080.63817,39.17361514,1014,1,0,7,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,20,0,0,0,0,0,0,0,0,0,0,0,1,0,19,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.69692722,0,40.70265611,0,0,3.531948978,0,0,3.697083613,0,0,3.751660924,0,0.69692722,0,0,0,0,0,0,0,0,0,0,0,0,0,10.23053618,0,0,0,0,0,0,0,0,0,0,0,2.236465033,0,14.56087886,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.526895777,0,32.17576033,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.69692722,0,5.067887828,0,0,3.531948978,0,0,3.697083613,0,0,3.751660924,0,0.69692722,0,0,0,0,0,0,0,0,0,0,0,0,0,0.232196415,0,0,0,0,0,0,0,0,0,0,0,2.236465033,0,0.042840602,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.526895777,0,5.067887828,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.69692722,0,8.526895777,0,0,3.531948978,0,0,3.697083613,0,0,3.751660924,0,0.69692722,0,0,0,0,0,0,0,0,0,0,0,0,0,0.665124031,0,0,0,0,0,0,0,0,0,0,0,2.236465033,0,1.347204822,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.526895777,0,5.542760591,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,57.5,2.12962963,0.69692722,8.526895777,-0.027929319,0.042840602,7.984496504,1.457159398,2.526895777,27.87824228,1.457159398,2.526895777,27.87824228,12.33331,0.45679,0,0.04321,0.5343,0.89877,0.43012,0.5343,0.87738,0.10418,0,-0.10418,0.02138,0.50824,0.20605,0,0.06757,0,0,16.25,0.60185,16.25,0.60185,0,0,-16.25,-0.60185,0,0,30.14876,1.11662,40.63452,10.48576,0.38836,10.05365,0.37236,13.41421,3.36057,0.12447,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,26.07,7,7,7,7,1,1,1,1.288707383,1.778308536,2.752736153,3.446331637,3.799359024,4.005386682,88.92080941,122.703289,189.9387945,237.796883,262.1557726,276.3716811,0.210968687,0.291119164,0.450638476,0.56418398,0.621976559,0.655704452,4.819817074,4.330215921,3.355788304,2.662192819,2.309165433,2.103137774,0.211698604,0.292126389,0.452197611,0.566135963,0.624128495,0.657973081,12.01032868,17.03922989,20.81898907,23.77252893,25.53923132,26.72676387,99.20694107,80.74906826,71.40070012,59.67815953,52.78100766,47.52180584,27,26,26,27,0,8,2.89,3.3375,0,2.091700423,0,0,24.87270561,0,0,0,0,0,0,0.668048377,2.491141646,0,0,0,0,0,0,0.259,1.651,1.731,1.492,0.318,12.692,25,24,23,22,21,20,19,18,17,242,3.295836866,3.258096538,3.218875825,3.17805383,3.135494216,3.091042453,3.044522438,2.995732274,2.944438979,2.890371758,5.493061443,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,24,0.923076923,26,1,1,13,26,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.019230769,0.008888889,0.005208333,0.003478261,0.002525253,0.001943635,0.0015625,0.001299545,0.001111111,9.72E-04,0.057934987,252.8623993,400.7554646,505.7247986,18.7305481,252.8623993,2.78E-16,1.03E-17,-96.71537656,2000177.231,74080.63817,39.17361514,75.61,416.0077381,5.754887502,4.634728988,5.303304908,5.978885765,6.65544035,7.334981879,8.01466637,8.696008609,9.377294452,10.05967901,119.0549903,3.970291914,0,5.030437921,0,6.208590026,0,7.44132039,0,8.704999678,9.043577154,394.2930537,5.714392082,52.82842713,1.956608412,20.32791498,20.32791498,0,3276,24,1.987,102,1.244117647,2.123198943,2.842905803,3.634258029,4.808752376,5.906091947,7.094775815,8.069181921,9.401222263,10.47889603,101.8579495,96.97384839,115.6435803,149.4884882,168.0075414,235.2039541,270.0490555,277.4861549,358.7803833,394.0041242,282.585175,318.0748484,369.5959715,517.564539,567.5887935,765.0244905,935.9149875,937.2977039,1176.580149,1396.077359,9.792543932,16.77133561,21.9704831,26.93036736,36.55998926,46.12621412,52.61433443,61.78434878,73.53697741,77.86463736,1.925681778,2.340623608,2.848743298,4.057377986,4.404814547,5.87865227,7.395259307,7.254298664,9.041319765,11.06460342,183.340026,342.7183253,475.3211254,579.6872696,809.2011604,985.3627841,1151.37096,1361.451982,1581.439512,1694.52984,3.270661765,5.120728555,6.834551861,6.99522654,9.937375873,14.64420428,13.5778053,17.22934688,23.20832165,20.24326955,0.45632734,0.581631299,0.686548856,0.946192775,1.094253061,1.438729998,1.748183582,1.826317607,2.233908912,2.607066688,942.9772111,2841.390651,46.73100728,266.6401239,-803.4433349,-58.58851523,676.3370872,3644.833986,105.3195225,0.779566549,2.348999612,0.038632885,0.220433451,-0.664212815,-0.048435578,1140.641581,3436.995387,56.52663649,322.5325161,-971.8589857,-70.86968366,0.069637436,0.13055022,1.224715566,6.65136252,1060.116206,149.5011295,0.876406261,0.123593739,2076.899085,45.57300829,12.75866198,2492.098496,49.92092243,13.55777434,3720.963368,60.99969974,15.49595922,5.873689184,5.873689184,33291.95293,33211.19945,147.3797533,1.002431513,225.8923101,225.3443822,9.33012105,16.29851815,31.33676119,0.922675479,12.14926125,17.3066579,25.60081237,65.68904635,14.52875314,8.715498653,37.56267254,32.7071559,27.9885092,0.791310593,37.02469684,15.16258033,62.69760967,12.0095732,3.872340319,28.77323101,5.962164107,28.8470259,0.936716364,27.56419134,14.41959088,11.37950692,19.67527579,0.167312719,28.23249763,4.738527337,46.90447422,9.371538488,10.26353779,22.91327391,1.039509795,18.95784605,2.629929824,10.78812447,0.105031824,11.16162696,2.867787525,4.753827789,5.14007989,0.024566782,9.814017698,0.8425567,20.29131945,2.324873542,1.933697703,4.161057735,0.215349845,5.056126472,0.064139244,16.50834353,2.641327605,5.731522499,3.141965872,0.024187623,5.077956003,0.151247548,10.79166492,1.725787786,3.551247377,3.341410276,3.236211132,15.88680584,5.02355017,16.33470789,1.073244883,6.589083046,8.651778485,4.973471047,8.12530824,0.106132356,11.37110092,2.945002161,20.97397511,3.510438063,1.473813428,7.471712559,0.828992858,7.279194665,0.104393384,14.01924257,3.868168516,4.138294213,4.864927979,0.053300059,7.005054562,0.452798048,12.90791817,2.865498415,2.888139122,5.330763823,11.69087008,18.95181528,30.65187741,62.08534901,12.94678296,11.60410336,35.66964029,30.77107851,26.70175536,0.717859141,37.63274475,14.0433431,62.5724769,11.5362083,4.143979455,27.58507549,5.414106227,31.26662093,0.854976618,30.25889733,13.91584776,13.82611226,18.6493787,0.158546937,30.6046548,4.284079503,46.15433084,8.825973633,11.03435641,21.61570933,4.702678294,14.71980243,5.505135484,21.65810604,2.324582062,5.57113783,12.8327439,6.815467261,10.50878527,0.184376772,13.37612445,4.619813686,24.99546198,4.467703986,1.441782141,10.0885627,1.41594589,8.518541878,0.173996408,14.58818028,4.917733345,3.473343396,6.491693818,0.073316717,8.09864132,0.845945551,16.29950562,3.757934716,2.910183478,7.233439738,14.85262265,18.34887741,36.60756679,86.83714371,21.18007342,10.59221391,47.82596889,46.33699431,36.14693931,1.093372247,47.4911912,19.8251758,79.99159565,15.61222402,4.906814533,37.16538109,8.222494222,39.21692833,1.34396289,33.27962432,19.17321029,15.4320461,25.89570544,0.19988873,38.72970141,6.823966127,61.24399916,11.82720602,13.94012332,30.44843648,9.398233013,24.08487316,36.05135668,43.06136679,6.255218151,26.51979831,24.40815197,21.21875307,19.25380437,0.392350051,34.42732176,9.017238386,64.26859786,8.923521593,4.761706307,19.6780981,3.240097877,31.67983658,0.51760882,43.66986337,10.66215422,19.48451106,12.89320788,0.113270687,31.53568163,2.325273958,42.72385582,6.469782851,12.5253892,14.56918656,90.15821958,0.782881194,0.479050524,0.986196351,0.008563552,0.571756136,0.677989652,0.579705848,91.4201513,114.1485566,239.3816147,0.979294526,1.829451636,85.44650484,0.289270097,0.084448122,0.995645336,0.003370652,0.513556373,0.092650983,0.018014617,85.82022306,31.95734394,119.8648813,0.993468004,0.624221973,87.73651193,0.495212989,0.246136148,0.991621078,0.005597027,0.541452132,0.271529434,0.153036788,88.47786106,65.16527721,164.3373257,0.987431616,0.966018354,89.73352186,0.748520394,0.452452066,0.986792993,0.008231424,0.566382211,0.619782916,0.517118641,90.93449432,108.1061581,229.4306682,0.98018949,1.703283768,88.80227838,0.599509149,0.328867923,0.989653736,0.006681208,0.554686418,0.397913333,0.273204642,89.73065546,82.63915857,189.8780116,0.984480604,1.225804393,90.37180124,0.813321651,0.504100262,0.98563166,0.008870417,0.574468695,0.731567302,0.641917016,91.68922316,119.4677869,248.2090561,0.97844749,1.947953013,90.50196587,0.760354148,0.46157477,0.986678183,0.008289597,0.576124638,0.639416085,0.538181997,91.72389478,110.9379296,234.4244206,0.980017275,1.75372272 +UMLCP0009,L,CCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO,C8E8,96,0,-3.1726,10.06539076,118.9931,82.79765,0,0,83,33,50,0,24,0,9,0,0,0,0,0,0,0,5816.854113,6040.123932,6611.860355,6585.011466,6088.504693,6063.021276,5951.175891,5486.652878,5441.025589,13666.10986,17203.26289,21785.94917,22360.25749,22213.06971,21419.29034,19845.45536,19601.82431,18814.60191,637.061028,641.918904,1214.136212,1440.022512,1295.088916,1516.245744,1284.452028,1149.75704,1334.625868,94.95308124,119.7007192,160.5951743,176.2747794,180.6174846,170.3769181,155.0694217,157.8504456,148.1465328,13958.00872,12196.94104,24979.67989,31311.738,28767.84839,34072.45803,27824.55682,25414.47311,29851.16523,239.75,208.5,369.25,436,316.75,400.5,395.25,288,360.75,70.08257967,73.66004795,43.21477356,35.40328745,34.3983316,30.31510638,36.06773267,35.17085178,31.09157479,164.651926,209.795889,142.3918246,120.2164381,125.497569,107.0964517,120.275487,125.6527199,107.5120109,7.675434072,7.828279317,7.935530797,7.742056516,7.316886531,7.58122872,7.784557745,7.370237436,7.626433531,1.144013027,1.459764868,1.049641662,0.947713868,1.020437766,0.851884591,0.939814677,1.011861831,0.846551616,168.1687798,148.7431834,163.2658816,168.3426774,162.5302169,170.3622902,168.6336777,162.9132892,170.578087,2.888554217,2.542682927,2.413398693,2.344086022,1.789548023,2.0025,2.395454545,1.846153846,2.061428571,1.55898504,-0.353151329,-0.939602495,0.777845094,-0.060719202,-0.655685103,0.684349267,-0.058466322,-0.552969201,3010.157137,140.1136207,-1300.172605,-214.0715403,216.5956361,282.6408843,-218.5338932,151.3542413,201.6490462,3796.928637,-516.620032,-1211.417656,255.982305,-933.4103918,721.5537147,223.3421747,-806.4891926,609.7644456,8.603291855,-0.186336435,-4.266453661,3.294588179,1.09323814,-2.450485531,2.552102022,0.595233718,-2.470507117,16.61054392,-5.073451077,-4.208807311,5.711187043,-7.917933104,2.105569783,4.957015114,-6.860606562,1.733343911,93.50854211,-32.57021014,-22.68499951,40.76438986,-49.14394644,8.221733267,35.22471688,-42.76848477,6.424138248,64.80722892,-1.942081579,-28.36151836,16.4801858,8.923138336,-14.19211787,12.76876179,5.597256496,-13.72006097,0.018782952,-0.004306724,-0.006141193,0.004181963,-3.43E-04,-0.003278426,0.004147571,-3.75E-04,-0.003159824,36.26695346,1.708702691,-8.497860164,-1.15092226,1.223704159,1.413204422,-1.324447837,0.970219496,1.152280264,45.74612816,-6.300244293,-7.917762459,1.376248952,-5.273505038,3.607768573,1.353588938,-5.169802517,3.484368261,0.103654119,-0.002272396,-0.027885318,0.01771284,0.006176487,-0.012252428,0.015467285,0.003815601,-0.014117184,0.200127035,-0.061871355,-0.027508545,0.030705307,-0.044734085,0.010527849,0.030042516,-0.043978247,0.009904822,1.126608941,-0.397197685,-0.148267971,0.219163386,-0.277649415,0.041108666,0.213483133,-0.274156954,0.036709361,0.780809987,-0.023683922,-0.185369401,0.088603149,0.050413211,-0.070960589,0.077386435,0.035879849,-0.078400348,-0.229288956,-0.326955671,0.222646728,-0.018263707,-0.17454261,0.220815729,-0.019953419,-0.168228293,0.047114591,-0.234314144,-0.031734738,0.033741576,0.038966726,-0.036519413,0.026752164,0.031772182,-0.137721913,-0.173080494,0.03008449,-0.115277626,0.078865004,0.029589148,-0.113010712,0.076167501,-0.021922868,-0.269022769,0.170884089,0.05958747,-0.118204928,0.149220168,0.036810894,-0.136195104,-0.309160402,-0.137455414,0.153429079,-0.223528447,0.052605831,0.150117228,-0.219751655,0.049492675,-0.352560387,-0.131605533,0.194533683,-0.246447019,0.036488851,0.189491779,-0.243347042,0.032583943,-0.030332504,-0.237406545,0.113475943,0.064565274,-0.09088074,0.099110458,0.045952088,-0.100408998,1.236400733,1.717632263,0.956988448,0.59552962,1.220612222,1.029796225,0.683641618,1.286549989,1.067607882,1.372496295,1.074892573,0.863348063,0.952307641,1.095956728,0.890577241,0.976749277,1.54076085,1.226671013,0.924758284,1.216313716,0.830293758,0.915921787,1.202218275,0.82535336,0.947649823,1.676780285,1.038871044,0.500546451,1.204821928,1.124273798,0.602955972,1.287893643,1.870537147,1.223315695,0.792879901,1.36183438,0.826720096,0.784071212,1.342725769,0.820118498,1.937693841,1.242208734,0.760598252,1.371452831,0.842219487,0.755951819,1.356061789,0.839027762,0.956683398,1.453430613,0.94046491,0.436060722,1.053354713,1.019901187,0.517066012,1.129724059,644.3790547,323.3145273,509.4723831,646.492691,19.59068761,323.3145273,2.25,0.062461645,0.001892777,-9.15156857,410.9965585,12.45444117,19.86132997,644.7060474,323.4747188,509.7340704,646.8134746,19.60040832,323.4747188,2.243390212,0.062239527,0.001886046,-9.163324513,411.2379961,12.46175746,19.86326797,934.2799781,465.3445139,741.9092429,930.9066611,28.20929276,465.3445139,-3.590950303,0.0643134,0.001948891,-9.05515801,410.046384,12.425648,19.85369194,645.0492319,323.6428425,510.0087176,647.1501424,19.61061038,323.6428425,2.236453202,0.062006708,0.001878991,-9.175691917,411.4926939,12.46947557,19.86531118,1240.616369,615.4378601,987.89983,1231.466063,37.31715341,615.4378601,-9.740648379,0.126949226,0.003846946,-6.811094626,377.0855687,11.42683541,19.57715804,678.6203147,340.0892612,536.884529,680.0840855,20.60860865,340.0892612,1.558207673,0.040617165,0.001230823,-10.57176294,444.8565669,13.48050203,20.1225813,514.9687372,259.3315973,405.3478643,518.3486203,15.70753395,259.3315973,5.19047619,0.193218795,0.005855115,-5.424975856,377.5810137,11.4418489,19.581491,0,11.99613295,16.00350024,-0.418419861,0.094945678,3.719659862,7.372457728,32,82,82,82,32,0,0,0,0,0,69.98835,3.51851177,3.490488288,3.455080712,3.403931405,3.341395423,3.270768328,3.188423831,3.090642052,1.913637237,1.755791575,1.734390594,1.709226457,1.671433499,1.623170643,1.567828271,1.511271345,3.52372238,3.379640191,3.353735114,3.31828098,3.271366674,3.206072459,3.124945271,3.033985497,1.858998027,1.76972732,1.746414308,1.714409468,1.675450077,1.622707699,1.556897667,1.483816662,3.661468554,3.609305017,3.578555079,3.533760418,3.480975998,3.420415572,3.345284676,3.256500134,1.673162884,1.509168685,1.492466165,1.464258184,1.419461702,1.359501285,1.288192807,1.211201927,3.542167842,3.359684712,3.341535608,3.311165248,3.262936995,3.198065947,3.120416519,3.03568979,1.827573838,1.782209836,1.754364409,1.714196318,1.66737193,1.613212142,1.545680576,1.466849615,3.71626205,3.633217712,3.605973954,3.567206057,3.522072818,3.46483468,3.392001572,3.308689743,1.618021497,1.476230924,1.452843165,1.42087614,1.376231445,1.314077661,1.237905212,1.153614835,4.57318433,3.86529876,3.830818043,3.774774372,3.699873194,3.615064663,3.555316383,3.47778642,1.739953629,1.52274365,1.469741114,1.443938632,1.404448424,1.354509202,1.298340566,1.241811517,0,0,0,0,0,18,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.92031022,16.41421356,11.25304833,7.707106781,5.272970773,3.603553391,2.459708691,1.676776695,0.724857885,0.512944174,0.363001559,0.256903559,0.181826578,0.128698335,0.091100322,0.064491411,20.97665589,12.6421367,7.390353236,4.481912461,2.690458446,1.563926593,0.929119167,0.541655247,0.635656239,0.395066772,0.238398491,0.149397082,0.092774429,0.055854521,0.034411821,0.020832894,43.97888703,83.17188638,79.27843137,80.6,48.28601796,642.3543713,0.529866109,1.00207092,0.955161824,0.971084337,0.581759253,7.739209292,2.472,127.0138,377.9293618,598.773642,755.8587236,22.90480981,377.9293618,3.89E-16,1.18E-17,-117.0973241,2000257.483,60613.86311,47.87899536,1536,1,0,9,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,24,0,0,0,0,0,0,0,0,0,0,0,1,0,23,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.694082235,0,51.70872369,0,0,3.522176773,0,0,3.68711549,0,0,3.741543811,0,0.694082235,0,0,0,0,0,0,0,0,0,0,0,0,0,13.03052109,0,0,0,0,0,0,0,0,0,0,0,2.236795485,0,16.55448083,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.549090234,0,43.15963345,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.694082235,0,5.074581358,0,0,3.522176773,0,0,3.68711549,0,0,3.741543811,0,0.694082235,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234225799,0,0,0,0,0,0,0,0,0,0,0,2.236795485,0,0.035084596,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.549090234,0,5.074581358,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.694082235,0,8.549090234,0,0,3.522176773,0,0,3.68711549,0,0,3.741543811,0,0.694082235,0,0,0,0,0,0,0,0,0,0,0,0,0,0.677170516,0,0,0,0,0,0,0,0,0,0,0,2.236795485,0,1.343875258,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.549090234,0,5.562473886,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,70.5,2.136363636,0.694082235,8.549090234,-0.036323363,0.035084596,8.945555409,1.464915404,2.549090234,35.89103834,1.464915404,2.549090234,35.89103834,14.99997,0.45454,0,0.04546,0.54217,0.90909,0.43069,0.54217,0.89118,0.11148,0,-0.11148,0.01791,0.5,0.21429,0,0.05556,0,0,20.25,0.61364,20.25,0.61364,0,0,-20.25,-0.61364,0,0,38.29139,1.16035,52.64894,14.35755,0.43508,12.04621,0.36504,16.41421,4.368,0.13236,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,32.09,9,9,9,9,1,1,1,1.305626967,1.74711864,2.623816142,3.231472459,3.548702598,3.746348739,108.3670383,145.0108471,217.7767398,268.2122141,294.5423157,310.9469454,0.204802963,0.274056131,0.411576457,0.506894505,0.556655788,0.587658912,5.069412464,4.627920791,3.75122329,3.143566973,2.826336833,2.628690692,0.205366306,0.274809964,0.412708561,0.508288797,0.558186956,0.589275359,12.21418289,16.7934963,20.11298411,22.74230025,24.39819857,25.56749753,121.582869,101.620621,92.31291264,80.4874228,72.97617246,66.9598045,33,32,32,33,0,8,3.11,4.0185,0,2.069707682,0,0,0,0,0,0,0,0,0,0.708400186,3.74686121,0,0,0,0,0,0,0.259,2.073,2.183,1.862,0.346,15.408,31,30,29,28,27,26,25,24,23,308,3.496507561,3.465735903,3.433987204,3.401197382,3.36729583,3.33220451,3.295836866,3.258096538,3.218875825,3.17805383,5.733341277,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,30,0.9375,32,1,1,16,32,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.015625,0.007168459,0.004166667,0.002758621,0.001984127,0.001511716,0.001201923,9.88E-04,8.33E-04,7.19E-04,0.046710514,377.9293618,598.773642,755.8587236,22.90480981,377.9293618,3.89E-16,1.18E-17,-117.0973241,2000257.483,60613.86311,47.87899536,94.07,502.77213,6.044394119,4.844187086,5.517452896,6.196444128,6.876264612,7.558516743,8.240912542,8.924656302,9.608377964,10.29299264,133.0598049,4.17438727,0,5.241747015,0,6.424869024,0,7.661527081,0,8.928640371,9.265775079,482.3454832,5.811391364,64.82842712,1.964497792,26.32791467,26.32791467,0,5984,30,1.607,126,1.239977084,2.120144499,2.863308504,3.718922544,4.870303927,5.990619877,7.231009203,8.187223927,9.550611376,10.69556558,104.9119656,101.2154997,123.2305571,159.2691119,176.0020523,251.6295326,288.0028923,290.2450331,385.8941889,421.3817278,283.1577388,321.0817467,382.2456214,537.1917645,577.7573889,794.4684674,974.6490086,955.0258858,1226.095809,1452.167482,9.831525678,16.92362331,22.3486435,27.65778502,37.30984771,47.25790883,53.74824584,63.09003717,75.42626277,79.59887908,1.906098751,2.322270157,2.905405244,4.172726694,4.421840714,6.02363877,7.63508539,7.299662997,9.300703959,11.4126009,182.9967179,343.2353491,478.2291253,591.944491,821.6322889,999.2777601,1168.748494,1384.742872,1605.288058,1723.081192,3.327077722,5.267065988,7.131218199,7.26825948,10.28866252,15.34515584,13.98168176,17.72826921,24.3223357,20.79611329,0.457609896,0.586145508,0.705773092,0.979804348,1.113677207,1.485645184,1.811953723,1.859908168,2.313538216,2.700700833,1055.600559,3974.492337,54.56767888,206.9039095,-779.023842,-54.22481478,848.6966493,4753.516179,108.7924937,0.836116295,3.1481016,0.043221771,0.163883705,-0.617046404,-0.042950196,1332.700422,5017.814336,68.89193841,261.2171103,-983.5210816,-68.45907096,0.055730183,0.104478109,1.268618912,3.775805352,1109.791821,152.7126471,0.879039916,0.120960084,2547.407508,50.47184866,13.65734063,3053.502334,55.25850463,14.50772847,4588.416875,67.73785408,16.61706388,6.655056558,6.655056558,62603.84319,62508.07282,172.866341,1.001532128,362.1517227,361.5977086,10.69421016,20.28261832,39.31982161,0.93859693,20.23786489,23.90277202,26.30475505,76.38887421,41.64518265,2.896854132,67.53604002,27.86100685,50.0984053,0.255717937,25.64166212,27.05402078,13.38664102,19.57634359,0.004984166,68.73137195,8.420657455,71.12656414,6.881393887,0.172152946,46.79309098,2.113198359,64.89783007,1.372167568,10.89706287,18.49969018,0.139233003,21.63843486,0.008899576,53.41082848,1.723894144,27.01606334,2.752550034,16.04028047,0.295071784,3.145762937,6.093516229,0.291110764,7.188839033,0.001802339,26.9348309,1.207323389,5.860912117,3.138887991,3.20E-04,11.60707441,0.243496315,26.14059324,0.778427208,0.225639483,4.221959782,0.015093974,10.76727632,0.040402282,9.326588646,2.584595978,0.051350458,3.941445308,7.55E-05,18.21760584,5.412094754,21.19655651,5.558224566,18.48218222,3.06101878,1.666720229,18.25645922,2.106042475,12.31559251,0.018771578,18.36065898,4.433256324,4.789867692,4.825401907,5.05E-04,18.70254072,1.071553891,24.85789801,1.234816254,0.13604442,7.925442183,0.155517014,16.09642871,0.166200301,7.354089516,4.008447794,0.046779114,5.497068024,6.85E-04,19.2722654,19.38818719,27.01908075,31.04570277,73.53502061,37.10637446,3.845348762,64.39310448,24.85681051,49.8357215,0.22784097,30.64741659,24.84823632,13.5842238,18.7682281,0.004534765,73.26975885,7.643036701,76.25473941,7.03853738,0.226941147,43.55252763,1.882946015,65.60458092,1.241483517,12.3893233,17.81333802,0.137814924,21.07231341,0.007937842,58.24920377,7.89082659,18.98612253,6.33147339,22.86024581,6.644612817,1.408927458,26.52769617,4.485665599,16.03437648,0.040771188,15.2123286,7.230640233,5.19228799,6.3221313,8.65E-04,22.78070724,1.884523591,26.06476754,1.62114419,0.116274225,11.80968544,0.337381163,20.30973758,0.295305808,6.679251069,5.433444018,0.053073658,7.027466794,0.001457298,20.51782288,24.67128424,25.88560365,36.84373866,103.6572689,60.72990295,3.6658799,82.30470521,40.59355044,66.74462656,0.372936354,30.04099746,36.44726237,17.78011786,26.13962862,0.007214683,90.45274622,11.7189256,92.43440163,9.59963359,0.205480296,64.51638171,3.081392834,86.52834807,1.924523703,12.69921297,24.74372483,0.184307686,28.65468828,0.012939175,69.00896599,15.16965575,36.69025294,35.8673338,55.7958418,18.01084673,8.408096693,45.67245559,12.18546431,40.65581967,0.110563855,45.05830718,15.05406602,14.94867546,13.79192621,0.002549397,71.37556588,4.389121921,80.08599248,6.123234049,0.483094255,27.39392082,0.914298434,57.06762513,0.684786865,15.96176353,13.66447358,0.134003025,16.18859558,0.003893715,63.57672334,139.0598192,0.772705262,0.460357807,0.991210794,0.005507801,0.570818567,0.702511764,0.586271149,140.2928823,171.8252483,361.5846145,0.986816191,1.859601479,131.0210993,0.2784304,0.079942488,0.997272231,0.002119284,0.5067339,0.091434833,0.017749475,131.3794722,46.97666824,181.272463,0.995908346,0.615918208,135.4876128,0.485897138,0.235525763,0.994703561,0.00356729,0.541869888,0.278225266,0.153916113,136.2090357,97.85830797,249.5727214,0.992055341,0.974011267,138.1429881,0.736387025,0.433670983,0.991601232,0.005285844,0.563316644,0.638104623,0.520467598,139.3130461,161.9546591,345.3836249,0.987401847,1.721888866,137.4523613,0.591768148,0.31606956,0.993438592,0.004277011,0.557698725,0.412484704,0.276926923,138.360199,124.9714765,289.0407511,0.990157888,1.247110352,139.2846642,0.802586354,0.484339115,0.990845053,0.005709449,0.572665952,0.757735369,0.648702245,140.5715897,179.6377058,374.3525824,0.986267579,1.979103565,139.3137592,0.749435725,0.44318738,0.991511965,0.00533382,0.572905495,0.660822293,0.54351128,140.5063823,166.4809486,353.2590664,0.987267947,1.777239068 +UMLCP0010,L,CCCCCCCCCOCCOCCOCCOCCO,C9E4,32,0,-2.937,8.625969,77.7307,57.934548,0,0,58,22,36,0,17,0,5,0,0,0,0,0,0,0,3768.908366,3900.520425,4231.326704,4135.780919,3767.209186,3661.150281,3501.945344,3165.357371,3039.154594,9400.756014,11904.56354,15186.91875,15468.01365,14935.05279,14167.50129,12953.21152,12323.8074,11562.81286,436.812056,439.379436,827.264072,1016.260196,912.281032,988.28586,860.689712,766.949156,806.665984,66.63338457,85.02967884,116.4826444,126.9254891,125.0214691,116.9275173,105.7201314,102.2544301,94.69713197,9739.795955,8446.095675,17277.70763,22662.94154,20654.27554,22487.21508,19175.76036,17300.90026,18265.92228,161,138.75,239.5,285.25,214,249.75,244.5,185.25,209,64.98117872,68.43018289,39.54510938,30.63541421,29.8984856,27.52744572,30.71881881,30.14626068,28.14032031,162.0820002,208.851992,141.9338201,114.5778789,118.532165,106.5225661,113.6246625,117.3695942,107.063082,7.531242345,7.708411158,7.731439925,7.527853304,7.240325651,7.430720752,7.549909754,7.304277676,7.469129481,1.148851458,1.491748752,1.088622845,0.940188808,0.992233881,0.879154265,0.927369573,0.973851715,0.876825296,167.9275165,148.1771171,161.4739031,167.873641,163.9228217,169.0768051,168.2084242,164.7704787,169.12891,2.775862069,2.434210526,2.238317757,2.112962963,1.698412698,1.877819549,2.144736842,1.764285714,1.935185185,0.902830583,-0.227047234,-0.490109067,0.404221727,-0.056018187,-0.286648042,0.310999455,-0.055223746,-0.193343612,1998.201109,43.38027712,-854.7537814,-42.5978234,131.6507986,118.0497749,-44.79941279,73.29266849,50.12671236,2684.941745,-296.4993772,-993.9276196,138.391088,-398.5879691,271.3433543,105.5125688,-275.2816942,165.3645038,4.958716414,-0.061542683,-1.892503315,2.031091658,0.513659653,-0.908551776,1.31242829,0.123003458,-0.877487391,11.78040121,-2.642917268,-3.666231328,2.797774035,-3.598103699,0.725864239,2.044201363,-2.536864725,0.351907546,65.8333361,-16.72933422,-19.38049738,20.06474786,-22.53011876,2.621766326,14.54273712,-16.04585331,0.789354329,45.06896552,-1.800535077,-14.59274673,12.19292509,4.953626635,-6.097800238,8.640309156,2.090665874,-6.335315101,0.015566045,-0.003983285,-0.004580459,0.002994235,-4.45E-04,-0.002155248,0.002728065,-5.26E-04,-0.001790219,34.45174326,0.761057493,-7.988353097,-0.315539433,1.044847608,0.887592293,-0.392977305,0.698025414,0.464136226,46.29209905,-5.201743459,-9.289043174,1.025119171,-3.16339658,2.040175596,0.925548849,-2.621730421,1.531152813,0.085495111,-0.001079696,-0.017686947,0.015045123,0.004076664,-0.006831216,0.011512529,0.001171462,-0.008124883,0.203110366,-0.04636697,-0.034263844,0.020724252,-0.028556379,0.005457626,0.017931591,-0.024160616,0.003258403,1.135057519,-0.293497092,-0.181126144,0.148627762,-0.178810466,0.019712529,0.12756787,-0.152817651,0.007308836,0.77705113,-0.031588335,-0.136380811,0.090317964,0.039314497,-0.045848122,0.075792186,0.019911104,-0.058660325,-0.255895761,-0.294259634,0.192356832,-0.028561449,-0.138458324,0.175257458,-0.033787674,-0.115007935,0.022090537,-0.231870795,-0.009158881,0.030327859,0.025763349,-0.011406601,0.020260961,0.013472068,-0.112367846,-0.200661525,0.022144582,-0.068335561,0.044071788,0.019993668,-0.056634512,0.033075899,-0.012628748,-0.206876706,0.175976419,0.047683006,-0.079901837,0.134657161,0.013702088,-0.095033309,-0.228284605,-0.168695694,0.102034438,-0.140595378,0.026870248,0.088284962,-0.118953143,0.016042525,-0.258574642,-0.159574419,0.130942934,-0.157534278,0.017366987,0.112388903,-0.134634279,0.006439177,-0.040651552,-0.175510729,0.116231687,0.050594479,-0.05900271,0.097538222,0.02562393,-0.075490946,1.25724732,1.592403619,0.881214341,0.609702042,1.112515157,0.95827366,0.746502242,1.163098849,1.152330882,1.365176534,1.017423774,0.871864744,0.944530285,1.029425653,0.907788267,0.973807098,1.54061905,1.296434587,0.935070348,1.125348887,0.883187312,0.927291555,1.090702579,0.890827077,0.945615681,1.552735051,0.945843446,0.516862982,1.107888436,1.038355407,0.68299954,1.19033031,1.783638186,1.298518188,0.849039145,1.218246124,0.88384766,0.84978994,1.167113832,0.89038918,1.833214055,1.308377202,0.824275726,1.223445533,0.892150154,0.831139724,1.1747396,0.901070188,0.981828615,1.27950325,0.812705092,0.416557365,0.941414362,0.904169855,0.532992677,1.051012709,296.1684972,148.7092486,234.7327329,297.3048608,13.51385731,148.7092486,1.25,0.107101942,0.00486827,-4.914743166,253.5692096,11.52587317,12.17840096,296.2836467,148.7649873,234.8235082,297.416672,13.51893964,148.7649873,1.246327895,0.106736858,0.004851675,-4.92225524,252.917002,11.49622737,12.17273504,398.669314,198.3371708,316.9337649,396.8557027,18.03889558,198.3371708,-1.99497239,0.118545359,0.005388425,-4.691411162,298.3069689,13.55940768,12.53587072,296.4044994,148.8234867,234.9187852,297.5340212,13.52427369,148.8234867,1.242474001,0.10635406,0.004834275,-4.930159441,252.24366,11.46562091,12.16687016,507.5802633,251.084396,405.7366909,502.6607439,22.84821563,251.084396,-5.411471322,0.240118821,0.010914492,-3.13856706,176.630169,8.028644045,11.38292783,308.233307,154.549489,244.2708107,309.0202806,14.04637639,154.549489,0.865670929,0.070643112,0.003211051,-5.830252263,216.3152219,9.832510085,11.82882075,254.4085227,128.2717242,202.3727719,256.2781058,11.64900481,128.2717242,2.918767507,0.300028198,0.013637645,-2.648533393,525.9746515,23.9079387,13.78355665,0,11.99617025,16.00000104,-0.418375636,0.092847315,3.719717682,7.45103024,21,57,57,57,21,0,0,0,0,0,47.019452,3.524966352,3.466039235,3.389470567,3.297023609,3.167480532,3.015721375,2.876311569,2.623767813,1.923235258,1.785930009,1.717358227,1.651061536,1.574407407,1.51151596,1.424907525,1.279816033,3.536392268,3.376838958,3.334825028,3.24121517,3.112005175,2.997452827,2.882898949,2.628368596,1.867651936,1.760998721,1.724886394,1.652504548,1.549738618,1.458676781,1.363139799,1.192535607,3.669987838,3.590531331,3.529740485,3.450501984,3.329989185,3.202620605,3.086855048,2.864502879,1.684875001,1.526243839,1.477184967,1.391920452,1.283096961,1.194907394,1.091558111,0.884470803,3.555368657,3.379139968,3.325262389,3.232506291,3.11237123,3.013824238,2.903214326,2.658204731,1.834717929,1.765490875,1.71172503,1.641262928,1.534433835,1.425008594,1.32261847,1.13851453,3.725809782,3.619728398,3.573894341,3.496417171,3.380205144,3.269892685,3.163643815,2.957874448,1.629833525,1.476957421,1.436611535,1.347714974,1.228055894,1.125281965,1.016907169,0.790748501,4.554521596,3.831723266,3.727201805,3.598833178,3.531068684,3.378286181,3.266346017,3.021343656,1.759416226,1.575627549,1.456141757,1.384345462,1.306417143,1.247106537,1.171642178,0.970903528,0,0,0,0,0,10,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.14213562,10.91421356,7.363961031,4.957106781,3.328427125,2.228553391,1.487436867,0.989276695,0.733733437,0.519724455,0.368198052,0.260900357,0.184912618,0.131091376,0.092964804,0.06595178,14.39391526,8.832735624,5.294416884,3.243878589,1.98758233,1.188926593,0.713763873,0.424596869,0.654268875,0.420606458,0.264720844,0.170730452,0.110421241,0.069936858,0.044610242,0.028306458,30.32689599,57.63437728,54.80392157,55.68,33.77517844,448.5385018,0.522877517,0.99369616,0.944895199,0.96,0.582330663,7.733422445,2.7957,88.3548,167.7473954,265.9931379,335.4947907,15.24976321,167.7473954,4.44E-16,2.02E-17,-77.77111366,201.1667296,9.143942253,11.66909494,662,1,0,5,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,17,0,0,0,0,0,0,0,0,0,0,0,1,0,16,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.69832839,0,29.80375849,0,0,3.537799599,0,0,3.706504315,0,0,3.772752752,0,0.69832839,0,0,0,0,0,0,0,0,0,0,0,0,0,7.680954634,0,0,0,0,0,0,0,0,0,0,0,2.24576396,0,13.95047755,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.503552496,0,21.30020599,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.69832839,0,5.066097342,0,0,3.537799599,0,0,3.706504315,0,0,3.772752752,0,0.69832839,0,0,0,0,0,0,0,0,0,0,0,0,0,0.224659609,0,0,0,0,0,0,0,0,0,0,0,2.24576396,0,0.057508188,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.503552496,0,5.066097342,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.69832839,0,8.503552496,0,0,3.537799599,0,0,3.706504315,0,0,3.772752752,0,0.69832839,0,0,0,0,0,0,0,0,0,0,0,0,0,0.644513889,0,0,0,0,0,0,0,0,0,0,0,2.24576396,0,1.37582148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.503552496,0,5.523879513,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,46,2.090909091,0.69832839,8.503552496,-0.021836206,0.057508188,7.694300211,1.442491812,2.503552496,20.0990449,1.442491812,2.503552496,20.0990449,10.16665,0.46212,0,0.03788,0.51782,0.87424,0.42941,0.51782,0.84928,0.0884,0,-0.0884,0.02497,0.52859,0.1857,0,0.08197,0,0,12.75,0.57955,12.75,0.57955,0,0,-12.75,-0.57955,0,0,24.15391,1.0979,31.11299,6.95908,0.31632,8.56108,0.38914,10.91421,2.35313,0.10696,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,21.05,5,5,5,5,1,1,1,1.25084636,1.794089356,2.885952868,3.680451903,4.125162142,4.347193876,72.54908889,104.0571827,167.3852664,213.4662103,239.2594043,252.1372448,0.213528579,0.306264113,0.492653163,0.628279932,0.704195207,0.742097641,4.607134635,4.063891639,2.972028127,2.177529093,1.732818853,1.510787119,0.214447102,0.307581551,0.494772379,0.630982565,0.7072244,0.745289876,11.53351494,17.05166282,21.35869318,24.70295197,26.98119479,27.37226773,80.50016598,63.40733766,54.08422147,42.14051249,34.9917762,32.65851603,22,21,21.05263158,22,0,9,2.78,2.7974,0,2.157925336,0,0,21.59637089,0,0,0,0,0,0,0.602401336,1.321802152,0,0,0,0,0,0,0.259,1.229,1.279,1.122,0.29,10.475,20,19,18,17,16,15,14,13,12,187,3.091042453,3.044522438,2.995732274,2.944438979,2.890371758,2.833213344,2.772588722,2.708050201,2.63905733,2.564949357,5.236441963,1,0.476190476,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19,0.904761905,21,1,1,11,21,0.909090909,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.023809524,0.011111111,0.006578947,0.004444444,0.003267974,0.00255102,0.002083333,0.001763668,0.001538462,0.00137741,0.072040175,167.7473954,265.9931379,335.4947907,15.24976321,167.7473954,4.44E-16,2.02E-17,-77.77111366,201.1667296,9.143942253,11.66909494,57.15,346.5393308,5.459431619,4.418840608,5.081404365,5.752572639,6.424869024,7.100851909,7.776954403,8.455104999,9.133135301,9.812522917,106.9562562,3.761200116,0,4.812184355,0,5.983936281,0,7.211556733,0,8.470730317,8.811205188,320.2562743,5.521659901,42.82842729,1.946746695,14.32924258,14.32924258,0,1771,19,2.936,82,1.241947368,2.126162563,2.84536411,3.621773773,4.833494466,5.901960628,7.125396479,8.136246242,9.435937545,10.52410948,97.33543032,91.90718576,105.3845801,136.6636406,158.0784294,211.9576015,244.0672987,260.0496627,321.6039788,347.6340505,282.5764471,319.201957,359.3875494,500.3334367,569.3665809,741.0765768,900.8172367,943.1700717,1122.971062,1303.12,9.659775676,16.49762583,21.55826798,26.60496274,36.19557055,45.06600716,52.4065662,61.25976824,71.9916235,78.35888705,1.960554361,2.41065592,2.844215521,3.999940769,4.537622486,5.864626302,7.279336343,7.522319834,8.909391834,10.47222573,182.3072317,340.4149708,474.5097722,580.3033949,808.6600095,981.2631438,1164.056617,1363.48345,1582.369559,1736.045379,3.149460526,4.861602788,6.338156213,6.693562428,9.496843647,13.4780662,13.1010575,16.42512694,21.55457156,20.02946153,0.454017747,0.580961984,0.670874424,0.918663653,1.094155785,1.401464062,1.696167284,1.831869175,2.163692934,2.47028971,814.5920676,1885.341603,38.47787315,243.3686618,-563.2672858,-44.31360382,571.2234058,2448.608889,82.79147697,0.769964371,1.782052538,0.03636985,0.230035629,-0.532408501,-0.041885868,861.8064181,1994.617378,40.70807874,257.474487,-595.9146686,-46.88205263,0.090661448,0.169964211,1.957482113,6.53936386,944.268962,113.6917674,0.892536874,0.107463126,1624.09792,40.30009826,11.75449756,1981.175115,44.51039333,12.55955604,2856.745746,53.44853362,14.18917668,5.52851147,5.52851147,18409.16308,18343.76094,122.0407209,1.003565362,150.8444309,150.3085266,8.232699688,12.84086098,25.62289164,0.995418507,10.47585755,14.82709665,18.8581778,58.5802686,15.42601506,5.954260215,27.77956499,23.60997251,29.34429516,0.821934573,24.05029478,19.51516819,39.0752499,17.97345073,3.250532185,20.93608461,8.148854757,22.33532036,3.689140765,14.96778409,14.5212826,4.385166893,17.49198952,0.352726652,16.48757526,8.867160501,17.55291452,14.43380013,2.73240123,18.12571451,0.89907214,15.97008836,1.905211685,10.32263027,0.111501128,7.461667115,2.293287246,3.107243022,6.025903733,0.024600923,6.895329238,1.153533661,12.44851092,3.474501286,1.13782827,3.704451877,0.294588559,4.078411203,1.010062193,8.465623142,3.269718302,2.450300685,3.159223101,0.018277405,3.777177998,1.185769641,4.307123605,2.849884256,0.727784258,3.309770591,2.782862634,13.84399312,3.758112012,14.80353059,1.139494396,4.42076818,6.53563812,3.525905997,8.958828902,0.108210814,7.778459139,3.972124183,12.92272149,5.397597794,1.041666542,5.870122575,1.175669633,5.92278025,1.365003075,7.344766498,4.3383826,1.700916172,4.757829453,0.060188087,5.01919034,1.85502078,5.005750306,4.057388359,0.623537596,4.958654179,10.11131334,15.96603664,22.28422044,54.98193619,13.74630935,7.908547171,26.56986193,22.11442254,27.97564875,0.74512454,24.51218129,18.11000027,38.95016651,17.11863177,3.319617015,20.32451404,7.414168734,23.11358003,3.665064346,16.02237507,14.38666154,5.4838217,16.71586252,0.322941797,17.2402961,8.492527843,17.29215436,13.75069227,2.837573562,17.34230762,4.034526241,13.03607978,4.231423474,19.35036085,2.468114129,3.74265487,9.55794695,4.971231207,11.35058751,0.189105565,8.985504448,6.170862977,15.43484177,6.933949094,1.148708233,7.594424684,1.994528667,7.21550938,1.619171286,7.810377115,5.264763406,1.358326259,6.202746263,0.096785085,5.866440743,2.48700282,6.233767887,5.232693952,0.671700608,6.440449767,12.83174533,15.54869675,26.74801331,78.03771784,22.48813233,7.270119561,35.37702124,33.36965266,37.86277772,1.138118057,30.79512243,25.28013505,49.92235455,23.0869287,4.149121814,27.03571848,11.16545608,29.75626028,4.646631671,18.01184724,19.02581458,5.958393874,22.65772655,0.47362921,21.67756929,12.19891568,22.74455727,18.57403201,3.808107302,23.50407687,8.270982769,19.59755662,26.05387476,36.99357665,6.603136005,18.52796447,18.54347795,14.96771404,20.07743935,0.403083943,22.84293538,11.58830372,40.76469037,12.58778204,3.362266382,15.09594292,4.214314339,21.71680355,3.511675911,23.70627676,11.69661478,9.032100637,11.9315997,0.186342746,17.67116206,6.312091297,17.59822055,10.37237281,3.805910099,12.40821109,60.13137682,0.785263662,0.484472589,0.979320631,0.012789079,0.5662682,0.680951969,0.586201833,61.40111307,76.73142767,161.0088447,0.968980947,1.833422002,58.41448035,0.292625452,0.088383329,0.993519762,0.004977005,0.534428233,0.094757255,0.019509649,58.79548913,22.28229315,82.58856834,0.990279643,0.648695137,58.59052154,0.498268644,0.251015496,0.987372993,0.00839687,0.537641215,0.274806358,0.157365606,59.33980568,44.02602173,110.6939286,0.98105949,0.969813179,60.18330329,0.754145165,0.460203654,0.980221576,0.012282964,0.567247159,0.628143858,0.528943004,61.39765211,73.43058364,155.7154747,0.970332363,1.724334022,58.83381403,0.599911798,0.332180483,0.984404281,0.010037693,0.542108433,0.398282817,0.275585889,59.76590631,55.03782293,126.5280723,0.976606421,1.215977139,60.36749573,0.81632081,0.510117461,0.978499697,0.013231784,0.570722177,0.735434018,0.649903882,61.693934,80.49017614,167.3223125,0.967749546,1.956060077,60.61135402,0.763836038,0.4679316,0.980082383,0.012351188,0.575343151,0.644064723,0.546856655,61.84312166,75.01652737,158.5235422,0.970123574,1.766264529 +UMLCP0011,L,CCCCCCCCCOCCOCCOCCOCCOCCO,C9E5,55,0,-3.0679,9.41201041,88.7742,64.92372,0,0,65,25,40,0,19,0,6,0,0,0,0,0,0,0,4317.468865,4477.540876,4874.887251,4797.277738,4396.722245,4310.807212,4163.442163,3794.87043,3688.811525,10588.51557,13392.48591,17065.06313,17442.7742,17006.25661,16232.14814,14927.97207,14395.01121,13627.45971,492.11866,495.458248,934.664484,1137.922,1023.704228,1135.997056,982.351516,878.372352,954.37718,74.63284019,94.95143608,129.4326994,141.5181939,141.1758552,132.5452497,120.3128362,118.4088162,110.3148644,10918.50656,9492.066879,19434.25124,25194.87944,23052.40754,25753.26461,21707.69826,19699.03226,21531.97181,181.75,157.5,274.25,326,242.75,290.5,285.25,214,249.75,66.42259792,69.96157619,40.62406043,31.98185159,31.18242727,28.36057376,32.27474545,31.62392025,29.04576004,162.9002396,209.2575924,142.2088595,116.2851613,120.611749,106.7904483,115.7207137,119.9584268,107.3028323,7.571056308,7.741535125,7.7888707,7.586146667,7.260313674,7.473664842,7.615128031,7.3197696,7.514780945,1.148197541,1.483616189,1.078605829,0.943454626,1.0012472,0.872008222,0.932657645,0.986740135,0.868620979,167.977024,148.313545,161.9520937,167.9658629,163.492252,169.4293724,168.2767307,164.1586022,169.5430851,2.796153846,2.4609375,2.285416667,2.173333333,1.721631206,1.911184211,2.21124031,1.783333333,1.966535433,1.067929907,-0.258573258,-0.603012767,0.497627813,-0.057190172,-0.378882142,0.40440554,-0.056395731,-0.285577715,2273.207057,68.33209767,-973.8812643,-76.92796777,158.7470459,161.03821,-79.41514226,98.78407915,89.81348099,3000.789624,-351.7295951,-1068.706982,169.4587754,-529.0076898,382.2228851,136.7448297,-404.5087577,274.584396,5.887624862,-0.080275433,-2.434701837,2.409942873,0.669807854,-1.248767922,1.686916075,0.251701425,-1.229179529,13.15631102,-3.248178641,-3.87562371,3.529356775,-4.681780011,1.078060788,2.775800236,-3.620432679,0.704055265,73.6718493,-20.66483763,-20.55032862,25.27970885,-29.23150547,4.109427914,19.75439856,-22.76921494,2.284530481,50.11538462,-1.775147929,-17.8091716,13.57988166,6.026627219,-7.908284024,9.99408284,3.056213018,-8.210059172,0.016429691,-0.004040207,-0.005025106,0.003317519,-4.06E-04,-0.002492646,0.003134927,-4.70E-04,-0.002248643,34.97241626,1.067689026,-8.115677202,-0.512853118,1.125865574,1.059461908,-0.615621258,0.82320066,0.707192764,46.16599421,-5.495774924,-8.905891519,1.129725169,-3.751827587,2.514624244,1.06003744,-3.370906314,2.162081858,0.090578844,-0.001254304,-0.020289182,0.016066286,0.00475041,-0.008215578,0.013076869,0.002097512,-0.009678579,0.202404785,-0.050752791,-0.032296864,0.023529045,-0.033204114,0.007092505,0.021517831,-0.030170272,0.005543742,1.133413066,-0.322888088,-0.171252739,0.168531392,-0.207315642,0.02703571,0.153134873,-0.189743458,0.017988429,0.771005917,-0.027736686,-0.148409763,0.090532544,0.042742037,-0.052028184,0.07747351,0.025468442,-0.064646135,-0.245908896,-0.3058552,0.201922165,-0.02468726,-0.15171592,0.190808621,-0.028604581,-0.136864621,0.030529461,-0.232059379,-0.014664503,0.032192959,0.030294215,-0.017603052,0.02353857,0.020221444,-0.11904379,-0.192910207,0.024470938,-0.081268207,0.054469189,0.022961434,-0.073017085,0.04683278,-0.013847645,-0.223994711,0.177373492,0.052445031,-0.090700853,0.144370012,0.023156753,-0.106852534,-0.25074897,-0.159565715,0.116247475,-0.164048066,0.035041193,0.106310882,-0.149059086,0.027389383,-0.284881212,-0.151094728,0.148693709,-0.182912698,0.02385336,0.1351095,-0.16740892,0.015871027,-0.035974674,-0.192488488,0.117421335,0.055436717,-0.067480914,0.100483678,0.033032745,-0.083846484,1.249880367,1.636237018,0.9039015,0.602175272,1.15173887,0.979519908,0.719898054,1.211411869,1.126437207,1.367415762,1.033560414,0.868834411,0.946743079,1.04881306,0.901315306,0.974173263,1.539986631,1.277144332,0.933205684,1.151705214,0.867792149,0.92529187,1.124950774,0.870484201,0.944512623,1.59259857,0.971903661,0.507653065,1.140392165,1.061825319,0.648426458,1.224940077,1.807364236,1.277698707,0.834711289,1.259387046,0.867230394,0.832302047,1.220457775,0.868615709,1.862032904,1.289938493,0.807655258,1.265925237,0.877505847,0.810587163,1.229883285,0.881646916,0.97275518,1.332924021,0.849240215,0.421155762,0.974593044,0.935515537,0.524123817,1.073428369,378.5976385,190.0488192,299.5944105,379.9776385,15.19910554,190.0488192,1.5,0.099961904,0.003998476,-5.757415318,270.8468224,10.83387289,14.00388357,378.7583662,190.1269799,299.7224768,380.1343122,15.20537249,190.1269799,1.495593475,0.099614796,0.003984592,-5.766111419,270.8322573,10.83329029,14.00374913,521.5094669,259.55775,414.7253752,519.3070174,20.7722807,259.55775,-2.393966868,0.107057852,0.004282314,-5.585964802,239.4658668,9.578634674,13.69602722,378.9270542,190.2090115,299.8568909,380.2987455,15.21194982,190.2090115,1.490968801,0.099250898,0.003970036,-5.775260773,270.818969,10.83275876,14.00362647,673.1075699,333.3069022,538.0895248,667.1333056,26.68533222,333.3069022,-6.493765586,0.214156845,0.008566274,-3.852616535,231.8838515,9.275354062,13.61559152,395.4353701,198.2370876,313.0359767,396.3910708,15.85564283,198.2370876,1.038805115,0.06552542,0.002621017,-6.813292809,278.8611412,11.15444565,14.07678489,318.284729,160.4049111,251.857413,320.5309249,12.821237,160.4049111,3.486215539,0.291556337,0.011662253,-3.081305061,243.4272196,9.737088785,13.73704501,0,11.99615712,16.00080204,-0.418387769,0.093206388,3.71966941,7.451063658,24,64,64,64,24,0,0,0,0,0,53.30828,3.525129206,3.476533867,3.414707183,3.338602689,3.241469699,3.11461627,2.982290712,2.856764663,1.923235261,1.785939619,1.725246766,1.675699709,1.608618924,1.548673164,1.486136032,1.411071778,3.53639241,3.379125473,3.347962416,3.279774073,3.178174337,3.064516614,2.969921354,2.862901065,1.867652534,1.764656268,1.735542254,1.683029329,1.601685759,1.511224698,1.434863633,1.345416608,3.670002853,3.598444273,3.547979593,3.486085503,3.395863108,3.281442466,3.174240099,3.067265216,1.684875027,1.526497292,1.488343981,1.425037969,1.336229022,1.245270967,1.168600133,1.073806948,3.55536868,3.379395045,3.337400641,3.268819347,3.171863192,3.070320082,2.986373821,2.884374949,1.834733426,1.772488872,1.727536084,1.67257769,1.591831735,1.491260468,1.399541449,1.304080815,3.725811401,3.625304171,3.587034294,3.530568007,3.440985048,3.335412632,3.24395949,3.14444189,1.629833629,1.47848887,1.448924753,1.38362308,1.288386986,1.184684755,1.098813133,0.997793183,4.561228344,3.845750293,3.77076863,3.657636823,3.575904701,3.483726379,3.352917268,3.249673993,1.757581523,1.573768921,1.462861973,1.41000071,1.339769299,1.281784695,1.223270187,1.16070848,0,0,0,0,0,12,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.26345597,12.41421356,8.424621202,5.707106781,3.858757211,2.603553391,1.75260191,1.176776695,0.730538239,0.517258898,0.366287878,0.259413945,0.183750343,0.13017767,0.092242206,0.065376483,16.21637711,9.910085893,5.90678932,3.615887057,2.207495533,1.313926593,0.789699783,0.469486464,0.648655084,0.412920246,0.256816927,0.164358503,0.105118835,0.06569633,0.041563146,0.026082581,34.1253507,64.74071377,61.60392157,62.6,37.85252695,502.7495329,0.525005395,0.996010981,0.94775264,0.963076923,0.582346568,7.734608199,2.8123,99.1738,216.7319465,343.5502244,433.4638931,17.33855572,216.7319465,9.44E-16,3.77E-17,-86.49183602,2000153.321,80006.13285,36.27183599,864,1,0,6,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,19,0,0,0,0,0,0,0,0,0,0,0,1,0,18,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.697008169,0,35.27547262,0,0,3.532634227,0,0,3.698940449,0,0,3.756625028,0,0.697008169,0,0,0,0,0,0,0,0,0,0,0,0,0,9.065561424,0,0,0,0,0,0,0,0,0,0,0,2.246342485,0,14.97818489,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.51949217,0,26.75598045,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.697008169,0,5.068282385,0,0,3.532634227,0,0,3.698940449,0,0,3.756625028,0,0.697008169,0,0,0,0,0,0,0,0,0,0,0,0,0,0.226259609,0,0,0,0,0,0,0,0,0,0,0,2.246342485,0,0.048885031,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.51949217,0,5.068282385,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.697008169,0,8.51949217,0,0,3.532634227,0,0,3.698940449,0,0,3.756625028,0,0.697008169,0,0,0,0,0,0,0,0,0,0,0,0,0,0.656859568,0,0,0,0,0,0,0,0,0,0,0,2.246342485,0,1.373449167,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.51949217,0,5.547999758,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,52.5,2.1,0.697008169,8.51949217,-0.031382692,0.048885031,8.189905072,1.451114969,2.51949217,24.04363021,1.451114969,2.51949217,24.04363021,11.49998,0.46,0,0.04,0.52462,0.884,0.42987,0.52462,0.86154,0.09475,0,-0.09475,0.02246,0.52036,0.19393,0,0.07246,0,0,14.75,0.59,14.75,0.59,0,0,-14.75,-0.59,0,0,28.02066,1.12083,36.7671,8.74645,0.34986,9.55736,0.38229,12.41421,2.85685,0.11427,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,24.06,6,6,6,6,1,1,1,1.267021328,1.784743824,2.823691536,3.564095413,3.987280506,4.217460408,82.35638629,116.0083486,183.5399499,231.6662019,259.1732329,274.1349265,0.210385909,0.296352511,0.468867333,0.591809654,0.662078543,0.700299374,4.755346485,4.237623989,3.198676277,2.4582724,2.035087307,1.804907405,0.211170221,0.297457304,0.470615256,0.594015902,0.664546751,0.702910068,11.73377296,17.04525347,21.0629691,24.2283887,26.4767127,27.05872965,91.60175335,73.18851687,63.79774992,51.46653084,43.60945367,40.14536921,25,24,24,25,0,9,2.89,3.1379,0,2.146022665,0,0,24.21842942,0,0,0,0,0,0,0.639753249,1.892080006,0,0,0,0,0,0,0.259,1.44,1.505,1.307,0.304,11.833,23,22,21,20,19,18,17,16,15,220,3.218875825,3.17805383,3.135494216,3.091042453,3.044522438,2.995732274,2.944438979,2.890371758,2.833213344,2.772588722,5.398162702,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22,0.916666667,24,1,1,12,24,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.020833333,0.009661836,0.005681818,0.003809524,0.002777778,0.002148228,0.001736111,0.001452433,0.00125,0.001101928,0.062896819,216.7319465,343.5502244,433.4638931,17.33855572,216.7319465,9.44E-16,3.77E-17,-86.49183602,2000153.321,80006.13285,36.27183599,66.38,389.9215268,5.64385619,4.553876892,5.220355825,5.894402834,6.56948142,7.247792582,7.926241523,8.606485299,9.286653055,9.968010449,114.2732999,3.891820298,0,4.94875989,0,6.124683391,0,7.355641103,0,8.617762246,8.956995312,364.282489,5.604345985,48.82842715,1.953137086,17.32922477,17.32922477,0,2600,22,2.746,94,1.24328125,2.125463663,2.8450578,3.628401833,4.824101961,5.907007094,7.11607783,8.1100566,9.429591015,10.51147744,99.38378696,94.23018261,109.8784999,142.2813476,162.5416755,222.1939609,255.449936,267.7050865,339.9246797,367.7039553,282.9927291,319.3902138,364.6506193,508.7669382,569.8452701,753.9791201,918.8017308,942.9272677,1148.237365,1336.420727,9.717408247,16.61590134,21.73090057,26.74076474,36.34880965,45.51507515,52.47113905,61.46407712,72.6576374,78.32922042,1.948626592,2.385783481,2.853880642,4.034208609,4.49110792,5.895052309,7.358587902,7.429230535,8.987254487,10.64822932,182.7546294,341.3636129,474.7631851,579.9705774,808.8372295,982.9149882,1158.288153,1362.507267,1581.726986,1724.037901,3.192890625,4.962204022,6.526604877,6.804238105,9.656687085,13.91312411,13.24245095,16.65561549,22.24519394,20.14695055,0.455470298,0.582057634,0.678616536,0.931720273,1.09558854,1.420551427,1.721995506,1.831779015,2.198875598,2.518572486,888.0004851,2389.102104,42.23918011,257.7504885,-693.4593444,-49.70684827,630.2499966,3082.561448,91.94602838,0.775037949,2.085184441,0.036865934,0.224962051,-0.605244386,-0.04338364,1017.42742,2737.316061,48.39558173,295.3178731,-794.531719,-56.95166979,0.077992172,0.146212953,1.371650544,5.508944089,1021.68147,124.0695033,0.891713377,0.108286623,1881.539287,43.37671365,12.34537909,2277.364626,47.72174165,13.15661573,3347.566596,57.85815928,14.9592473,5.606609267,5.606609267,26716.61887,26642.60003,137.31588,1.002778214,194.5632134,194.0241728,8.914162804,15.08789805,29.10244096,0.928859863,11.59145995,16.54113593,22.37766134,64.62109636,15.96480892,7.334887254,33.0682753,28.22757794,30.84860145,0.822028459,30.53769885,19.61348736,50.94169908,17.97403027,3.561470343,24.85571318,8.448412045,25.27698035,3.689140765,21.17743869,14.75890732,7.043950756,18.38934312,0.357409003,21.80348307,8.867160542,31.96532937,14.43380015,4.526572132,21.07636483,0.992697158,17.93820481,2.278629221,11.06207367,0.115299648,9.311654791,2.641816919,3.931021652,6.122467888,0.024692371,8.354876506,1.15422679,16.37030445,3.474505396,1.535763227,3.933774548,0.305033632,4.5305048,1.010062193,12.43988505,3.271392943,4.058531638,3.168122463,0.022041412,4.413371502,1.185769658,7.51564536,2.849884256,2.072224864,3.341528512,3.08509492,15.33963853,4.427435919,16.20972172,1.179043123,5.504933374,7.723539913,4.254754196,9.289372327,0.108302324,9.574983065,3.97934101,16.95240476,5.397640401,1.257742487,6.671939795,1.206498706,6.540066665,1.365003075,10.6775985,4.35582556,2.788148782,4.830219855,0.06411285,5.962117925,1.855020795,8.967741047,4.05738836,1.467625249,5.203224422,11.16435108,17.93318232,26.60695826,60.80329472,14.22637806,9.756333078,31.49634281,26.50424065,29.37523426,0.745218208,31.07266606,18.19760317,50.81056565,17.11914815,3.731828609,23.95584626,7.682380876,26.78618846,3.665064346,22.79064956,14.5983816,8.893496693,17.51713027,0.327567565,23.3855876,8.492527884,31.24587283,13.75069228,5.155134871,19.97877527,4.479960912,14.35218199,4.923145648,21.31698673,2.554011053,4.656904116,11.37223814,5.904352118,11.85751091,0.189197252,11.18101749,6.18653745,20.22396303,6.934041574,1.295250622,8.842519047,2.050821786,7.809846482,1.619171286,11.28050776,5.302649309,2.195812467,6.353716739,0.100828596,6.89586618,2.487002837,11.34705483,5.232693955,1.297549463,6.944828133,14.1789968,17.42305538,31.86121072,85.83506683,23.27391262,8.931174587,42.07479696,39.95397296,39.77760586,1.13821313,39.14335985,25.42352433,65.03758017,23.08777381,4.52801789,32.10162142,11.59663537,34.02350852,4.646631671,25.38761343,19.37236454,9.563263637,23.9581854,0.478553615,29.3856505,12.19891573,41.45516124,18.57403203,6.187791855,27.77184852,9.022880781,22.31828754,31.16601066,41.39934973,6.861266918,22.53865706,21.75796561,18.13496538,21.04465708,0.404810378,28.65204028,11.67757311,52.56775929,12.63914873,4.064724758,17.40171584,4.366059901,26.21678047,3.52593651,32.89360664,11.84611718,13.8360516,12.37231029,0.191296953,24.25409797,6.337724173,29.36951861,10.41449408,7.200375126,13.75555173,77.48506032,0.781990182,0.48311991,0.983935145,0.009930013,0.568879331,0.682767895,0.584610836,78.75017041,98.40492682,206.4285676,0.975902717,1.836258061,74.43372911,0.291000809,0.086836816,0.994949476,0.003889784,0.524959428,0.094570341,0.018887078,74.81156674,28.14913297,104.841609,0.992424214,0.638416847,75.50899215,0.495444559,0.249300104,0.990233336,0.006497315,0.540236105,0.274129637,0.155668919,76.25373681,56.35843333,141.9386165,0.985350003,0.970034661,77.34280972,0.749740604,0.457852166,0.984626523,0.009544707,0.566792378,0.627592114,0.52505831,78.55040249,93.74188823,198.8417848,0.976939785,1.719442802,76.10304012,0.597640316,0.331243966,0.987941567,0.007758346,0.548769512,0.39888463,0.274822915,77.0319244,70.88888252,162.9865261,0.981912351,1.222477056,77.72303602,0.812820334,0.508615195,0.983282379,0.010283076,0.572378749,0.737600514,0.647941282,79.04447155,103.119394,214.2955613,0.974923568,1.957920545,77.93354983,0.7602896,0.466237773,0.984505733,0.009604458,0.57548347,0.64532568,0.544467424,79.1600772,95.94210787,202.727737,0.976758599,1.765276574 +UMLCP0012,L,CCCCCCCCCOCCOCCOCCOCCOCCOCCO,C9E6,75,0,-3.1988,10.23232144,99.8177,71.912892,0,0,72,28,44,0,21,0,7,0,0,0,0,0,0,0,4866.029364,5054.561327,5518.447798,5458.774557,5026.235304,4960.464143,4824.938982,4424.383489,4338.468456,11776.27513,14880.40829,18943.20752,19417.53474,19077.46042,18296.79499,16902.73261,16466.21502,15692.10655,547.425264,551.53706,1042.064896,1259.583804,1135.127424,1283.708252,1104.01332,989.795548,1102.088376,82.63229581,104.8731933,142.3827544,156.1108987,157.3302413,148.1629821,134.905541,134.5632023,125.9325968,12097.21717,10538.03808,21590.79486,27726.81734,25450.53954,29019.31413,24239.63617,22097.16426,24798.02133,202.5,176.25,309,366.75,271.5,331.25,326,242.75,290.5,67.58374117,71.19100461,41.49208871,33.08348216,32.21945708,29.00856224,33.50652071,32.77321103,29.71553737,163.5593768,209.5832153,142.4301317,117.6820287,122.291413,106.9988011,117.3800876,121.9719631,107.4801819,7.603128667,7.768127606,7.835074406,7.633841236,7.276457846,7.507065801,7.666759167,7.331818874,7.548550521,1.147670775,1.47708723,1.070547026,0.946126659,1.008527188,0.866450188,0.936844035,0.996764461,0.862552033,168.0169051,148.4230716,162.3368034,168.0413172,163.1444842,169.7035914,168.3308067,163.6826983,169.8494612,2.8125,2.482394366,2.323308271,2.222727273,1.740384615,1.937134503,2.263888889,1.798148148,1.989726027,1.23302923,-0.290099281,-0.715916467,0.591033898,-0.058362157,-0.471116242,0.497811625,-0.057567716,-0.377811815,2547.496756,92.85599722,-1094.453123,-115.121379,183.247784,203.413775,-118.047514,121.7831263,129.2806729,3316.436685,-406.9652357,-1142.938946,199.3831086,-661.421065,493.9644969,166.7431642,-536.0199533,384.9193482,6.812302,-0.102789361,-2.995851639,2.766629917,0.824471667,-1.60391525,2.038854,0.383018417,-1.595040611,14.53222076,-3.85343249,-4.084953321,4.260935139,-5.765540228,1.430325581,3.507391575,-4.704105629,1.056280698,81.50995186,-24.60205474,-21.73319528,30.49322647,-35.91815358,5.583485536,24.96513844,-29.47368483,3.764498918,55.15277778,-1.754822531,-21.08082562,14.89293981,7.085648148,-9.758680556,11.27777778,4.026041667,-10.11535494,0.017125406,-0.004085905,-0.005382831,0.003582024,-3.74E-04,-0.002755066,0.003457025,-4.26E-04,-0.002587752,35.38189939,1.307830947,-8.228970849,-0.697705327,1.174665282,1.18955424,-0.819774403,0.902097232,0.885484061,46.06162062,-5.731904728,-8.593525907,1.208382477,-4.239878622,2.888681268,1.15793864,-3.970518173,2.636433892,0.094615306,-0.001447737,-0.0225252,0.016767454,0.005285075,-0.009379621,0.014158708,0.002837173,-0.010924936,0.201836399,-0.054273697,-0.030713935,0.025823849,-0.036958591,0.008364477,0.024356886,-0.034845227,0.007234799,1.132082665,-0.346507813,-0.163407483,0.184807433,-0.230244574,0.032651962,0.173369017,-0.218323591,0.025784239,0.766010802,-0.02471581,-0.158502448,0.090260241,0.045420821,-0.057068307,0.078317901,0.029822531,-0.069283253,-0.238587358,-0.314318422,0.209164304,-0.021845695,-0.160875938,0.201865298,-0.024900287,-0.151106033,0.036963277,-0.232575723,-0.019719273,0.033199611,0.033620418,-0.023169316,0.025496009,0.02502647,-0.124439927,-0.186565861,0.026234042,-0.092047969,0.062713409,0.025138904,-0.086200141,0.057237107,-0.015301303,-0.238071422,0.177217142,0.055858561,-0.099134292,0.14964501,0.029986411,-0.115466896,-0.268899451,-0.152172427,0.127944461,-0.183111626,0.041441866,0.12067638,-0.172640946,0.035844869,-0.306079957,-0.14434236,0.163245529,-0.203381415,0.028842383,0.153141659,-0.19285128,0.022775933,-0.032265616,-0.206919338,0.117831551,0.059295275,-0.074500656,0.102241249,0.038932259,-0.090446835,1.244486244,1.668535062,0.921508664,0.596773894,1.17815598,0.99432761,0.700146457,1.240278131,1.106443478,1.369590209,1.046955272,0.866741954,0.948385096,1.063952985,0.896358791,0.973919212,1.539567882,1.26156153,0.931657111,1.173216181,0.855870614,0.923799375,1.152011786,0.855616893,0.944296363,1.622806514,0.992617835,0.50135267,1.162534482,1.078714594,0.623602222,1.244887168,1.826597533,1.260774284,0.822804943,1.292906879,0.854297286,0.81837272,1.262517,0.852648575,1.885318472,1.275013798,0.79393692,1.300428969,0.866125014,0.794252359,1.273141637,0.867383011,0.965499874,1.376865735,0.879677663,0.424984987,1.001259129,0.961029967,0.517317216,1.091147118,471.2869699,236.5184849,372.6263956,472.9119699,16.88971321,236.5184849,1.75,0.091545713,0.00326949,-6.694567155,333.1028139,11.89652907,16.26366334,471.499886,236.6223725,372.7968814,473.1201122,16.89714687,236.6223725,1.744859054,0.091224278,0.00325801,-6.704415777,332.8166741,11.88630979,16.26125707,660.429544,328.8182913,525.1535012,657.8360798,23.49414571,328.8182913,-2.792961346,0.096208525,0.003436019,-6.555464472,540.9445827,19.31944938,17.62128715,471.7233464,236.731405,372.9758149,473.3385626,16.90494866,236.731405,1.739463602,0.090887325,0.003245976,-6.714777239,332.5191499,11.87568393,16.25875287,860.8124891,426.6182146,687.7568301,853.7775764,30.4920563,426.6182146,-7.57605985,0.191171225,0.006827544,-4.632840206,290.6395102,10.37998251,15.88183437,493.5890953,247.4005173,390.5064321,494.7144675,17.66837384,247.4005173,1.211939301,0.05978455,0.002135163,-7.88762242,313.362616,11.191522,16.0926109,389.5389333,196.2259414,307.2279201,392.1622812,14.00579576,196.2259414,4.054421769,0.274261724,0.009795062,-3.622282808,390.5015457,13.94648377,16.7088094,0,11.99614622,16.0016654,-0.418399325,0.093665685,3.719662494,7.451070358,27,71,71,71,27,0,0,0,0,0,59.597108,3.52519374,3.483508131,3.433517097,3.368643356,3.291598293,3.191109722,3.072416257,2.955883956,1.923235261,1.785941649,1.730165928,1.692171488,1.637179862,1.577855484,1.527423597,1.464950478,3.536392422,3.380832446,3.356447154,3.304908145,3.225441783,3.127122816,3.030527736,2.945785954,1.867652608,1.767371121,1.742897829,1.703043746,1.639396988,1.560151705,1.483492913,1.413788169,3.670006326,3.603741274,3.562104878,3.51003223,3.441093938,3.347676002,3.244365342,3.151111255,1.684875029,1.526613688,1.495405517,1.446843872,1.376098911,1.292848355,1.218320088,1.145012733,3.555368681,3.379508793,3.34504507,3.292590928,3.215785323,3.124274773,3.04062121,2.961737606,1.834737223,1.777213166,1.739879298,1.693650449,1.63175673,1.548453486,1.458650934,1.378339255,3.725811635,3.6292279,3.596787695,3.552722939,3.483905638,3.394397528,3.302533406,3.221761835,1.629833637,1.479588769,1.45685744,1.407157677,1.332157315,1.240847808,1.153842014,1.075263107,4.56668129,3.854931477,3.798896844,3.710372831,3.609500243,3.554579607,3.442402935,3.334544197,1.756090883,1.572258255,1.466509056,1.426562115,1.368880647,1.308903612,1.261438221,1.204283497,0,0,0,0,0,14,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.38477631,13.91421356,9.485281374,6.457106781,4.389087297,2.978553391,2.017766953,1.364276695,0.728027725,0.515341243,0.364818514,0.258284271,0.182878637,0.129502321,0.09171668,0.064965557,18.03883896,10.98743616,6.519161755,3.987895525,2.427408736,1.438926593,0.865635694,0.514376058,0.644244249,0.40694208,0.250736991,0.159515821,0.101142031,0.062562026,0.039347077,0.024494098,37.92380541,71.84705025,68.40392157,69.52,41.92987545,556.9605641,0.52671952,0.997875698,0.950054466,0.965555556,0.582359381,7.73556339,2.8289,109.9928,271.9698511,431.0082386,543.9397021,19.42641793,271.9698511,3.05E-15,1.09E-16,-93.58332078,305.8444596,10.92301641,16.02461468,1094,1,0,7,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,21,0,0,0,0,0,0,0,0,0,0,0,1,0,20,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.69565171,0,40.76324577,0,0,3.527758263,0,0,3.693261909,0,0,3.748758723,0,0.69565171,0,0,0,0,0,0,0,0,0,0,0,0,0,10.4580713,0,0,0,0,0,0,0,0,0,0,0,2.24666596,0,15.99008827,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.532683689,0,32.23056208,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.69565171,0,5.071155883,0,0,3.527758263,0,0,3.693261909,0,0,3.748758723,0,0.69565171,0,0,0,0,0,0,0,0,0,0,0,0,0,0.227535119,0,0,0,0,0,0,0,0,0,0,0,2.24666596,0,0.042894376,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.532683689,0,5.071155883,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.69565171,0,8.532683689,0,0,3.527758263,0,0,3.693261909,0,0,3.748758723,0,0.69565171,0,0,0,0,0,0,0,0,0,0,0,0,0,0.665124031,0,0,0,0,0,0,0,0,0,0,0,2.24666596,0,1.371414456,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.532683689,0,5.56393343,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,59,2.107142857,0.69565171,8.532683689,-0.037929319,0.042894376,8.677782241,1.457105624,2.532683689,28.01982346,1.457105624,2.532683689,28.01982346,12.83331,0.45833,0,0.04167,0.53009,0.89167,0.43023,0.53009,0.87127,0.09986,0,-0.09986,0.0204,0.51402,0.20027,0,0.06493,0,0,16.75,0.59821,16.75,0.59821,0,0,-16.75,-0.59821,0,0,31.99217,1.14258,42.59547,10.6033,0.37869,10.55365,0.37692,13.91421,3.36057,0.12002,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,27.07,7,7,7,7,1,1,1,1.279575813,1.772753331,2.761002052,3.452348988,3.852672364,4.081569183,92.12945855,127.6382399,198.7921477,248.5691271,277.3924102,293.8729812,0.207389201,0.287321699,0.447493616,0.559544725,0.624427746,0.661526547,4.890349188,4.39717167,3.40892295,2.717576014,2.317252637,2.088355819,0.208069663,0.288264427,0.448961884,0.561380642,0.626476551,0.663697076,11.88821655,16.98492984,20.74327766,23.73110753,25.90727416,26.58159757,102.7387821,83.23193822,73.83075634,61.30182883,52.9902498,48.78756198,28,27,27.04,28,0,9,3,3.4784,0,2.133584989,0,0,0,0,0,0,0,0,0,0.668048377,2.491141646,0,0,0,0,0,0,0.259,1.651,1.731,1.492,0.318,13.191,26,25,24,23,22,21,20,19,18,253,3.33220451,3.295836866,3.258096538,3.218875825,3.17805383,3.135494216,3.091042453,3.044522438,2.995732274,2.944438979,5.537334267,1,0.481481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,25,0.925925926,27,1,1,14,27,0.928571429,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.018518519,0.008547009,0.005,0.003333333,0.002415459,0.001855288,0.001488095,0.001234568,0.001052632,9.18E-04,0.05572312,271.9698511,431.0082386,543.9397021,19.42641793,271.9698511,3.05E-15,1.09E-16,-93.58332078,305.8444596,10.92301641,16.02461468,75.61,433.3037227,5.807354922,4.672828834,5.342334252,6.018593214,6.695798917,7.375882148,8.05610966,8.737933858,9.41970949,10.10254331,121.4217337,4.007333185,0,5.068904202,0,6.248042875,0,7.481555702,0,8.745921121,9.084210095,408.3087037,5.670954219,54.82842713,1.958158112,20.32922254,20.32922254,0,3654,25,2.556,106,1.244352113,2.12490139,2.844807183,3.633755266,4.816796679,5.911002214,7.108829992,8.09068344,9.424792419,10.50216963,101.0282423,96.09905977,113.5553434,146.8187262,166.0130892,230.2977454,264.3030983,273.3680028,353.776917,382.4923063,283.3269274,319.5416686,368.9567674,515.5786125,570.217584,764.1936335,932.7896707,942.7476592,1167.341155,1360.958105,9.763676649,16.71105531,21.87214542,26.85045097,36.46799561,45.87058731,52.52136239,61.61520972,73.16120889,78.30736079,1.939050778,2.365773324,2.861788468,4.06188648,4.454929925,5.919139565,7.420228004,7.360369958,9.046126249,10.77791618,183.1138079,342.1268062,474.970523,579.7017632,808.9750673,984.2226984,1153.80157,1361.78516,1581.241137,1715.190285,3.227757042,5.043138849,6.680790148,6.893629998,9.781009759,14.25754496,13.35242364,16.82611387,22.76737184,20.2335214,0.456636431,0.582939096,0.684950991,0.942266004,1.096702904,1.435662258,1.742084124,1.831712321,2.225477125,2.554149268,997.1414428,3057.631146,48.98555892,274.6099763,-842.0631022,-56.08909124,722.5314665,3899.694248,105.0746502,0.784069456,2.404267925,0.038518187,0.215930544,-0.662128691,-0.044103817,1268.116045,3888.546749,62.29745407,349.2356271,-1070.894945,-71.33138138,0.068429631,0.128285931,1.215584286,5.155000538,1130.645452,141.1059676,0.889045952,0.110954048,2138.980654,46.24911517,12.88454101,2573.554137,50.73020932,13.70390806,3840.560818,61.97225845,15.66023286,6.241029929,6.241029929,37235.44563,37152.68594,152.7151989,1.002227556,243.8227884,243.2808666,9.574080732,16.30792087,32.58798048,0.998291551,12.70706236,18.25517521,25.89714488,70.66192412,16.50360279,8.715514294,38.35698561,32.84518337,32.35290774,0.822122345,37.02510292,19.71180653,62.80814825,17.97460981,3.8724085,28.77534175,8.747969332,28.21864033,3.689140765,27.38709328,14.99653205,9.70273462,19.28669672,0.362091355,27.11939089,8.867160582,46.37774422,14.43380016,6.320743034,24.02701516,1.086322177,19.90632126,2.652046756,11.80151706,0.119098168,11.16164247,2.990346592,4.754800283,6.219032044,0.024783819,9.814423774,1.15491992,20.29209799,3.474509505,1.933698184,4.163097218,0.315478705,4.982598397,1.010062193,16.41414696,3.273067585,5.666762591,3.177021825,0.02580542,5.049565006,1.185769675,10.72416712,2.849884256,3.41666547,3.373286434,3.387327206,16.83528394,5.096759827,17.61591285,1.218591851,6.589098567,8.911441705,4.983602395,9.619915752,0.108393834,11.37150699,3.986557837,20.98208802,5.397683008,1.473818432,7.473757014,1.237327778,7.15735308,1.365003075,14.0104305,4.373268521,3.875381392,4.902610258,0.068037613,6.90504551,1.85502081,12.92973179,4.057388361,2.311712902,5.447794665,12.21738882,19.90032799,30.92969607,66.62465325,14.70644676,11.60411899,36.4228237,30.89405875,30.77481977,0.745311876,37.63315083,18.28520608,62.67096479,17.11966453,4.144040203,27.58717848,7.950593019,30.45879689,3.665064346,29.55892405,14.81010167,12.30317169,18.31839801,0.332193333,29.53087911,8.492527926,45.1995913,13.75069229,7.47269618,22.61524292,4.925395583,15.6682842,5.614867822,23.28361261,2.639907978,5.571153362,13.18652932,6.837473029,12.3644343,0.189288938,13.37653053,6.202211923,25.0130843,6.934134053,1.441793011,10.09061341,2.107114906,8.404183584,1.619171286,14.7506384,5.340535212,3.033298675,6.504687214,0.104872107,7.925291616,2.487002853,16.46034177,5.232693957,1.923398317,7.449206498,15.52624827,19.29741402,36.97440813,93.63241582,24.05969291,10.59222961,48.77257269,46.53829325,41.692434,1.138308202,47.49159728,25.5669136,80.15280578,23.08861892,4.906913967,37.16752436,12.02781465,38.29075675,4.646631671,32.76337962,19.71891451,13.1681334,25.25864426,0.483478021,37.0937317,12.19891579,60.16576521,18.57403205,8.567476408,32.03962018,9.773260824,25.04160547,36.29142997,45.80519933,7.115933145,26.56126677,24.97911576,21.31136479,22.00254076,0.406232929,34.48152895,11.75836707,64.41666177,12.68100873,4.769178743,19.71086426,4.515508596,30.72940213,3.537544524,42.12288851,11.98745603,18.66456949,12.80659099,0.196138043,30.86655767,6.358589139,41.20455955,10.44878047,10.61421392,15.10205928,96.94466949,0.779466034,0.482030252,0.987154612,0.007937038,0.570223366,0.6838589,0.583329205,98.20616577,122.6710668,257.3018857,0.980731918,1.837411471,92.42375814,0.288327093,0.085623795,0.995970257,0.00310705,0.518296543,0.093731953,0.018405773,92.79770903,34.58663409,129.6660694,0.993955386,0.63043427,94.50131574,0.49289712,0.247928341,0.992221663,0.0051752,0.541852073,0.274003157,0.154318316,95.2421412,70.13118395,176.921685,0.988332495,0.970173547,96.57980768,0.746208915,0.455965846,0.98770556,0.007631354,0.565939609,0.626872104,0.521951027,97.78198244,116.4460531,247.0889075,0.981558339,1.714762741,95.4913871,0.595921335,0.330489587,0.990391702,0.006180615,0.553261707,0.400431475,0.274208359,96.41779802,88.66120972,203.885635,0.985587553,1.227901542,97.18021818,0.810049945,0.507405371,0.986624503,0.008224052,0.572996959,0.738217825,0.646361157,98.49767349,128.4416188,266.8826644,0.979936755,1.95757594,97.34621913,0.75744347,0.464874181,0.987599312,0.007684435,0.574956552,0.645610474,0.542545271,98.56853678,119.3401178,252.1858074,0.981398968,1.763112296 +UMLCP0013,L,CCCCCCCCCCOCCOCCOCCOCCO,C10E4,19.7,0,-3.225,10.400625,80.6423,61.028134,0,0,61,23,38,0,18,0,5,0,0,0,0,0,0,0,3915.204615,4068.998722,4425.035241,4332.537648,3963.965915,3857.90701,3698.702073,3362.1141,3235.911323,9886.440405,12557.55368,16100.46586,16474.81199,15941.85114,15174.29963,13960.00987,13330.60574,12569.6112,457.7895,461.155216,869.99358,1079.145096,975.165932,1051.17076,923.574612,829.834056,869.550884,70.31151038,90.04566746,124.1703346,135.9470179,134.0429979,125.9490461,114.7416602,111.2759589,103.7186608,10236.42562,8879.135127,18201.90983,24141.89669,22133.23069,23966.17024,20654.71552,18779.85541,19744.87744,165.25,144,248.75,297.5,226.25,262,256.75,197.5,221.25,64.18368221,67.81664537,39.1596039,30.087067,29.36271048,27.16835923,30.07074856,29.49222895,27.65736174,162.0727935,209.2925613,142.4819988,114.4084166,118.0877862,106.861265,113.4960152,116.9351381,107.4325744,7.504745902,7.685920267,7.69905823,7.494063167,7.223451348,7.402610986,7.508736683,7.279246105,7.432058838,1.152647711,1.500761124,1.098852518,0.944076513,0.992911096,0.886965114,0.932859026,0.976104903,0.886484281,167.810256,147.9855854,161.078848,167.6520604,163.949857,168.7758467,167.9245164,164.7355738,168.7596362,2.709016393,2.4,2.201327434,2.065972222,1.675925926,1.845070423,2.087398374,1.73245614,1.891025641,0.90707342,-0.227047234,-0.492230484,0.404221773,-0.056017212,-0.286634966,0.311100115,-0.054949217,-0.194788976,2080.971123,43.66973471,-895.0244792,-36.05753638,136.1481021,120.2438246,-38.22406835,78.49162289,53.8589813,2835.12313,-296.9424297,-1070.838222,138.4234177,-397.6772183,270.365466,105.5008795,-274.6272691,164.7173982,4.995309246,-0.042647389,-1.834060341,2.106678501,0.534551144,-0.848604605,1.38996634,0.161092754,-0.811069078,12.45370079,-2.634823545,-3.969779551,2.809895642,-3.604875406,0.746741405,2.057139316,-2.537918909,0.370140817,69.50409798,-16.65825811,-20.9253866,20.18824885,-22.57635017,2.809143928,14.67342335,-16.04048715,0.958073812,45.40983607,-1.632625638,-14.21822091,12.73743617,5.101182478,-5.667159366,9.222789573,2.373421123,-5.827062618,0.014870056,-0.003784121,-0.004356022,0.002807096,-4.15E-04,-0.002018556,0.002529269,-4.82E-04,-0.001664863,34.11428071,0.727828912,-7.920570612,-0.250399558,1.00850446,0.846787497,-0.310764783,0.688523008,0.460333173,46.47742836,-4.949040496,-9.476444439,0.961273734,-2.945757173,1.903982155,0.857730727,-2.409011132,1.40784101,0.081890316,-7.11E-04,-0.016230622,0.014629712,0.003959638,-0.005976089,0.011300539,0.001413094,-0.006932214,0.204159029,-0.043913726,-0.035130792,0.019513164,-0.026702781,0.005258742,0.01672471,-0.022262447,0.003163597,1.139411442,-0.277637635,-0.185180412,0.140196173,-0.167232223,0.019782704,0.119296125,-0.140706028,0.008188665,0.744423542,-0.027210427,-0.125824964,0.088454418,0.037786537,-0.039909573,0.074982029,0.020819484,-0.049803954,-0.25447924,-0.292939177,0.188775055,-0.027904556,-0.135746368,0.170091439,-0.032414853,-0.111960778,0.021335021,-0.232177565,-0.007340022,0.02956253,0.024822083,-0.009109522,0.020182838,0.013493855,-0.106482666,-0.203893476,0.020682593,-0.063380382,0.040965738,0.01845478,-0.051831851,0.030290854,-0.008679779,-0.198199535,0.178650085,0.048352947,-0.072976746,0.137996041,0.017255939,-0.084652432,-0.215095682,-0.172075625,0.095578257,-0.130794023,0.025758069,0.081920011,-0.109044634,0.015495747,-0.243667586,-0.162522865,0.123042623,-0.146770707,0.017362213,0.104699778,-0.123490095,0.00718675,-0.036552347,-0.169023354,0.118822704,0.05075946,-0.053611379,0.100724957,0.027967256,-0.066902712,1.258382796,1.587238506,0.871398625,0.602439857,1.097638567,0.937319028,0.727589888,1.13268976,1.16467491,1.368384679,1.012582733,0.874212563,0.943351971,1.021129951,0.906359962,0.968243513,1.538416363,1.308082821,0.94005838,1.117623683,0.891727168,0.93422233,1.085037835,0.901172281,0.943436286,1.541376947,0.930516965,0.508295525,1.088295013,1.010240636,0.662334633,1.152993066,1.768020455,1.310129469,0.859913315,1.203999381,0.892580496,0.86308291,1.155440999,0.901266931,1.815051391,1.318765064,0.836016471,1.208417021,0.899600462,0.844780699,1.161588227,0.909966488,0.979963899,1.271604741,0.800579122,0.411070999,0.92584024,0.880866426,0.51866806,1.019207628,326.1411196,163.6955598,258.6080706,327.282424,14.22967061,163.6955598,1.25,0.116226461,0.005053324,-4.950093898,236.8354757,10.29719459,12.57494112,326.2600209,163.7531744,258.7011986,327.3979724,14.23469445,163.7531744,1.246327895,0.115835728,0.005036336,-4.95783912,236.741042,10.29308878,12.57402386,432.0610305,215.033029,343.3395215,430.2395339,18.70606669,215.033029,-1.99497239,0.132056505,0.005741587,-4.656408367,227.2815793,9.881807797,12.48023628,326.3848114,163.8136427,258.7989463,327.5192442,14.23996714,163.8136427,1.242474001,0.115425996,0.005018522,-4.965989064,236.6444757,10.28889025,12.5730855,544.7324825,269.6605056,435.4139145,539.7915739,23.46919887,269.6605056,-5.411471322,0.27044006,0.011758263,-3.007721027,213.5540612,9.284959182,12.33694703,338.6002657,169.7329683,268.3998942,339.3906609,14.75611569,169.7329683,0.865670929,0.077018297,0.003348622,-5.896538192,237.9630088,10.34621777,12.58586504,283.2909633,142.706948,225.7887647,285.1599278,12.39825773,142.706948,2.920634921,0.317717718,0.013813814,-2.637161531,418.054402,18.17627835,13.88190662,0,11.99616336,16.00000219,-0.418376842,0.092872091,3.719718075,7.507292407,22,60,60,60,22,0,0,0,0,0,49.205866,3.530941556,3.469879806,3.403350512,3.317504323,3.192808865,3.061734308,2.916020605,2.725255405,1.93067544,1.811993618,1.71964418,1.661579957,1.6079305,1.531041222,1.43349614,1.359956417,3.546212972,3.399666617,3.346157982,3.252939714,3.143608431,3.045128232,2.902271219,2.748307227,1.874480442,1.771764296,1.737171691,1.662558563,1.573234998,1.49317805,1.379337661,1.27338284,3.676917846,3.594688802,3.545617492,3.466709056,3.353019348,3.246023776,3.114554795,2.960313335,1.693932439,1.554447544,1.482035798,1.401953611,1.317436086,1.23053318,1.104818357,0.988209389,3.565533191,3.411064124,3.330503431,3.243338838,3.149701071,3.055470447,2.917912679,2.778960036,1.840563949,1.769159988,1.725530646,1.65514519,1.55499728,1.462216746,1.345374112,1.219084578,3.733364368,3.627665595,3.590051106,3.508978946,3.404278562,3.311205271,3.18455245,3.051521949,1.639000763,1.500159891,1.445696857,1.358469514,1.259118488,1.16755565,1.033745902,0.899355897,4.558057251,3.833298454,3.728770442,3.605222382,3.543396713,3.40783663,3.295513204,3.101232894,1.769314234,1.612933621,1.457635431,1.400924424,1.350033682,1.264081717,1.175177166,1.075214737,0,0,0,0,0,10,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.8492424,11.41421356,7.717514421,5.207106781,3.50520382,2.353553391,1.575825215,1.051776695,0.732575757,0.518827889,0.367500687,0.260355339,0.184484412,0.130752966,0.092695601,0.065736043,15.10102204,9.332735624,5.647970275,3.493878589,2.164359025,1.313926593,0.80215222,0.487096869,0.656566176,0.424215256,0.268950965,0.174693929,0.113913633,0.072995922,0.047185425,0.030443554,31.86872379,60.52221413,57.52941176,58.44,35.57373293,471.5667569,0.522438095,0.992167445,0.943105111,0.958032787,0.58317595,7.730602572,3.1858,92.9718,183.3807619,290.7453965,366.7615238,15.94615321,183.3807619,8.33E-16,3.62E-17,-79.86036436,2000130.89,86962.21261,33.37006332,726,1,0,5,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,18,0,0,0,0,0,0,0,0,0,0,0,1,0,17,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.696438031,0,29.8526398,0,0,3.531799094,0,0,3.701445853,0,0,3.769930346,0,0.696438031,0,0,0,0,0,0,0,0,0,0,0,0,0,7.902171704,0,0,0,0,0,0,0,0,0,0,0,2.254033608,0,15.3933266,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.512146991,0,21.34049281,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.696438031,0,5.071232384,0,0,3.531799094,0,0,3.701445853,0,0,3.769930346,0,0.696438031,0,0,0,0,0,0,0,0,0,0,0,0,0,0.22121707,0,0,0,0,0,0,0,0,0,0,0,2.254033608,0,0.057608917,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.512146991,0,5.071232384,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.696438031,0,8.512146991,0,0,3.531799094,0,0,3.701445853,0,0,3.769930346,0,0.696438031,0,0,0,0,0,0,0,0,0,0,0,0,0,0.644513889,0,0,0,0,0,0,0,0,0,0,0,2.254033608,0,1.392596578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.512146991,0,5.541276207,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,47.5,2.065217391,0.696438031,8.512146991,-0.030100669,0.057608917,8.393325938,1.442391083,2.512146991,20.21334681,1.442391083,2.512146991,20.21334681,10.66665,0.46377,0,0.03623,0.51366,0.86667,0.42958,0.51366,0.84306,0.08408,0,-0.08408,0.02361,0.53512,0.17917,0,0.07812,0,0,13.25,0.57609,13.25,0.57609,0,0,-13.25,-0.57609,0,0,25.92809,1.12731,32.97704,7.04895,0.30648,9.06108,0.39396,11.41421,2.35313,0.10231,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,22.05,5,5,5,5,1,1,1,1.240744944,1.778620952,2.865576731,3.646441126,4.111168182,4.395890569,75.68544158,108.4958781,174.8001806,222.4329087,250.7812591,268.1493247,0.20920585,0.29989879,0.483173772,0.614837737,0.693196806,0.74120473,4.689992394,4.152116386,3.065160606,2.284296212,1.819569155,1.534846769,0.210050436,0.301109513,0.485124396,0.617319902,0.695995315,0.744197052,11.39505329,16.88376586,21.10894539,24.43240528,26.86518772,27.67161299,84.1107937,66.33919885,57.03735835,44.55047563,36.37663996,32.90159296,23,22,22,23,0,10,2.89,2.9383,0,2.19551076,0,0,23.65915619,0,0,0,0,0,0,0.602401336,1.321802152,0,0,0,0,0,0,0.259,1.229,1.279,1.122,0.29,10.974,21,20,19,18,17,16,15,14,13,198,3.135494216,3.091042453,3.044522438,2.995732274,2.944438979,2.890371758,2.833213344,2.772588722,2.708050201,2.63905733,5.293304825,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20,0.909090909,22,1,1,11,22,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.022727273,0.010582011,0.00625,0.004210526,0.00308642,0.00240096,0.001953125,0.001646091,0.001428571,0.001271456,0.068727614,183.3807619,290.7453965,366.7615238,15.94615321,183.3807619,8.33E-16,3.62E-17,-79.86036436,2000130.89,86962.21261,33.37006332,57.15,363.8353155,5.523561956,4.465908119,5.129898715,5.802118375,6.475432717,7.152268856,7.829232538,8.508152447,9.186969386,9.867082871,109.417064,3.80666249,0,4.859812404,0,6.033086222,0,7.261927093,0,8.522180733,8.86220033,334.2719243,5.479867612,44.82842721,1.949062052,14.3298964,14.3298964,0,2024,20,3.505,86,1.242333333,2.128008968,2.84738913,3.622025086,4.841613459,5.908011524,7.139622163,8.157918404,9.46129777,10.55814011,96.57973604,91.14659364,103.6329962,134.4335722,156.3059695,207.9147001,239.3140671,256.2520406,314.218622,345.2746498,283.4546239,320.8685449,359.2931544,499.1873284,572.4195603,741.8561526,899.8870787,949.51915,1126.583139,1290.841378,9.632254471,16.44120972,21.47135284,26.53430856,36.10788643,44.84431285,52.31287049,61.08905817,71.65065127,78.17934639,1.974630715,2.436538383,2.859446098,4.008979732,4.58955529,5.913052352,7.318056349,7.63406529,9.02532716,10.446967,182.09118,339.8410601,474.1587499,580.2790681,808.4220407,980.228383,1165.933471,1363.742943,1582.519088,1738.804163,3.10475,4.78403928,6.192995644,6.59627292,9.336464665,13.11071904,12.87179615,16.0673267,20.73619337,19.95002402,0.454498985,0.582536788,0.670023189,0.915961326,1.097112114,1.400599336,1.693050792,1.838173997,2.165286593,2.460878669,830.976586,1967.457748,38.00770011,239.3716478,-566.7471397,-42.45159499,591.6049381,2534.204888,80.4592951,0.776360963,1.83814733,0.035509658,0.223639037,-0.529497898,-0.03966148,889.4343211,2105.864926,40.68147468,256.2110205,-606.6168,-45.43798972,0.088624928,0.166146321,1.688046411,6.420860705,964.2982187,106.0500151,0.900920082,0.099079918,1686.179489,41.06311592,11.90240163,2062.630756,45.41619487,12.72937741,2975.183586,54.54524348,14.38261725,5.345892219,5.345892219,21116.04023,21046.51905,129.4889919,1.003303215,163.0720876,162.5351988,8.519371347,13.93917448,26.85622678,0.92667269,11.03365865,15.77561396,19.15451031,63.55314637,17.40086471,5.954275855,28.57387807,23.74799998,33.7086937,0.852746325,24.05070086,24.06439439,39.18578849,23.93848734,3.250600366,20.93812513,11.19724981,22.40706308,10.56494863,15.65595644,14.93576204,4.811972412,19.95773076,0.419482883,16.68347587,12.77835367,18.2045098,16.28683847,2.650972019,17.51495603,0.945884521,16.91856356,1.927328618,11.33602287,0.125567472,7.461682627,2.415846313,3.108215516,7.104855887,0.02481796,6.895735314,1.465896881,12.44928945,4.62413725,1.137828751,3.706490866,0.396566861,4.078916494,2.121474358,8.470469992,3.299107369,2.485533773,3.23506819,0.05212427,3.90653154,2.390166134,4.290564348,3.012038243,0.718594763,3.281183646,2.933978709,14.79247121,3.831321669,16.08473554,1.284841363,4.420783701,6.795301341,3.536037345,10.45343641,0.110472292,7.778865215,5.013679859,12.9308344,7.284842738,1.041671547,5.872161876,1.603277162,5.928045762,3.359516167,7.395274449,4.489517784,1.817908931,4.957791221,0.081890014,5.17002023,3.68346861,4.99928701,4.377522904,0.608026573,4.781958288,10.63783208,16.91454935,22.5620391,59.52124044,15.50597316,7.908562797,27.32304534,22.23740278,32.04871316,0.772577275,24.51258737,22.35186325,39.04865439,22.70208799,3.319677763,20.32655447,10.18461834,23.1775015,10.08413703,16.63552422,14.64776463,5.878555531,19.21090034,0.393606452,17.88145855,12.26332008,17.85805783,15.65936557,2.734234998,16.91791982,4.257243531,13.98456156,4.341155811,20.97586742,2.783440045,3.742670402,9.911732375,4.993236975,13.20623654,0.194017731,8.985910524,7.753261213,15.45246409,9.400379162,1.148719104,7.596464199,2.727560363,7.226946772,4.307062134,7.920087145,5.523443501,1.533118613,6.518769855,0.116399529,5.916452906,4.722601683,6.271761038,5.659711756,0.656780543,6.129937536,13.50537095,16.49723336,27.11485465,84.83298994,25.36775182,7.270135261,36.32362504,33.5709516,43.4082724,1.183054012,30.7955285,31.02187285,50.08356468,30.5633236,4.149221248,27.03775935,15.3537391,29.86089029,13.33143025,19.01548193,19.41639393,6.468569271,26.36596307,0.563762807,21.99002235,16.60121587,23.76371772,21.18870122,3.688338353,22.85291292,8.647152056,20.55381567,26.29240266,39.73538652,7.463790598,18.56763268,19.11321125,15.05888373,22.82494481,0.417147364,22.89221485,14.32599052,40.89929222,16.33883916,3.369491453,15.13021743,5.749604001,21.79401817,7.836607619,24.05184595,11.34072052,9.398953243,13.8521473,0.280188474,19.1563284,9.447447007,17.85586893,11.4575199,3.689644877,12.46155505,65.56660283,0.796044905,0.487722986,0.980796398,0.011907861,0.56319153,0.683293703,0.590159103,66.85037072,84.56054883,176.8671136,0.971194597,1.836644335,64.24314211,0.297638348,0.08965435,0.99400758,0.004605235,0.540685243,0.095577083,0.019941847,64.63043481,24.90758435,91.25231994,0.99101137,0.656204174,64.04087677,0.50526976,0.252912141,0.988299492,0.007797486,0.537286209,0.27544114,0.158694552,64.79905867,48.68242259,121.6651917,0.982449238,0.971421901,65.70934184,0.765378167,0.464005059,0.9816342,0.011434012,0.565646461,0.631599141,0.534155978,66.93872506,81.13710199,171.4117994,0.9724513,1.73140158,64.15938912,0.607365496,0.333924419,0.985541012,0.009329634,0.539276455,0.397995953,0.276642577,65.10067903,60.59540013,138.7085125,0.978311518,1.213914985,65.82895827,0.82782263,0.513727236,0.980027695,0.012324198,0.567707858,0.738791165,0.6547686,67.17050814,88.73810521,183.9040257,0.970041543,1.961267623,66.11866848,0.775162972,0.471528593,0.981493581,0.011506848,0.57271583,0.647759646,0.551618379,67.36536005,82.79509778,174.3275919,0.972240372,1.772093854 +UMLCP0014,L,CCCCCCCCCCOCCOCCOCCOCCOCCO,C10E5,41.6,0,-3.3559,11.26206481,91.6858,68.017306,0,0,68,26,42,0,20,0,6,0,0,0,0,0,0,0,4463.765114,4646.019173,5068.595788,4994.034467,4593.478974,4507.563941,4360.198892,3991.627159,3885.568254,11074.19996,14045.47605,17978.61025,18449.57254,18013.05495,17238.94648,15934.77041,15401.80956,14634.25805,513.096104,517.234028,977.393992,1200.8069,1086.589128,1198.881956,1045.236416,941.257252,1017.26208,78.310966,99.9674247,137.1203896,150.5397227,150.197384,141.5667786,129.334365,127.430345,119.3363932,11415.13622,9925.106331,20358.45344,26673.8346,24531.36269,27232.21976,23186.65342,21177.98742,23010.92696,186,162.75,283.5,338.25,255,302.75,297.5,226.25,262,65.64360462,69.34356975,40.2269507,31.40902181,30.62319316,27.99729156,31.59564414,30.94284619,28.57035481,162.8558818,209.6339709,142.6873829,116.0350474,120.087033,107.0742017,115.4693508,119.3938725,107.6048386,7.545530941,7.719910866,7.757095175,7.552244654,7.24392752,7.446471776,7.574176928,7.296567845,7.479868235,1.151631853,1.492051115,1.08825706,0.946790709,1.001315893,0.879296761,0.937205544,0.987832132,0.87747348,167.8696503,148.1359154,161.5750273,167.759966,163.542418,169.1442221,168.0192277,164.1704451,169.1979924,2.735294118,2.429104478,2.25,2.127358491,1.7,1.880434783,2.155797101,1.753875969,1.926470588,1.072172743,-0.258573258,-0.605134184,0.497627858,-0.057189197,-0.378869067,0.4045062,-0.056121202,-0.287023078,2356.410665,68.78790611,-1013.662354,-68.37608276,164.6931752,163.81845,-70.6853051,105.5643364,94.27866576,3151.023203,-352.2797744,-1146.148358,169.6799878,-527.5671837,380.9040221,136.9354125,-403.3346894,273.6546728,5.927556,-0.058337,-2.363182,2.501451,0.69437,-1.176795,1.781398,0.293933,-1.149668,13.82961874,-3.239826553,-4.177174262,3.5414069,-4.691054127,1.101058828,2.788584475,-3.624580106,0.724686723,77.34384917,-20.58957473,-22.07025005,25.40880095,-29.29831739,4.320630942,19.89046412,-22.788389,2.479119693,50.47058824,-1.596020761,-17.37197232,14.20847751,6.197231834,-7.423010381,10.66262976,3.357266436,-7.647058824,0.015767246,-0.003859302,-0.004802652,0.003129735,-3.81E-04,-0.002353224,0.002931204,-4.35E-04,-0.002110464,34.65309802,1.026685166,-8.044939321,-0.430038256,1.097954501,1.017505901,-0.512212356,0.818328189,0.693225484,46.33857651,-5.25790708,-9.09641554,1.067169734,-3.517114558,2.365863492,0.992285598,-3.126625499,2.012166712,0.087169941,-8.71E-04,-0.018755413,0.015732396,0.004629133,-0.007309286,0.012908681,0.00227855,-0.008453441,0.203376746,-0.04835562,-0.033152177,0.022272999,-0.031273694,0.006838875,0.020207134,-0.02809752,0.005328579,1.137409547,-0.307307085,-0.175160715,0.15980378,-0.195322116,0.026836217,0.144133798,-0.176654178,0.018228821,0.742214533,-0.023821205,-0.137872796,0.089361494,0.041314879,-0.046105655,0.077265433,0.026025321,-0.056228374,-0.24476705,-0.304596769,0.198495978,-0.02418059,-0.149247623,0.185904647,-0.027591887,-0.133851135,0.029627515,-0.232156424,-0.012409807,0.031684166,0.029362624,-0.014781142,0.023614864,0.020004719,-0.113467169,-0.196303301,0.023029834,-0.075900358,0.051056024,0.021413813,-0.06747349,0.043423145,-0.009988552,-0.215159176,0.180479601,0.053104697,-0.083850988,0.148086381,0.026139175,-0.096976562,-0.237763762,-0.163008689,0.109515959,-0.153772222,0.033626631,0.099358133,-0.138155029,0.026200532,-0.27018156,-0.153999687,0.140498011,-0.171725406,0.023594155,0.126721108,-0.155312727,0.016026612,-0.032094771,-0.185758686,0.120398469,0.055664336,-0.06211904,0.104101213,0.035064419,-0.075757576,1.250870148,1.631224292,0.894179187,0.59553542,1.138756462,0.96048361,0.70431665,1.18595695,1.138040604,1.369846394,1.028019304,0.870695265,0.94543889,1.040016585,0.900110712,0.969343212,1.538009403,1.288615265,0.93792066,1.143139306,0.87625759,0.931694301,1.117502116,0.880804564,0.942150863,1.581417045,0.956775181,0.499771233,1.122848389,1.035987895,0.631364004,1.193372307,1.792144149,1.28926885,0.845571127,1.243988986,0.875969385,0.845500718,1.20625642,0.879516668,1.844313694,1.300211197,0.81935462,1.249749654,0.884940411,0.824215324,1.214266336,0.890619128,0.970862471,1.324871887,0.836996599,0.415951826,0.960586515,0.913862707,0.511964457,1.046875,412.30322,206.90161,326.3370235,413.6878354,15.91107059,206.90161,1.5,0.111284368,0.004280168,-5.708732857,363.0903082,13.96501185,15.32609412,412.4689655,206.9822795,326.4686616,413.8495133,15.91728897,206.9822795,1.495593475,0.110902081,0.004265465,-5.71767981,365.1783745,14.0453221,15.34100342,559.7815786,278.6938059,445.1563627,557.571763,21.44506781,278.6938059,-2.393966868,0.12149164,0.004672755,-5.480565535,718.7357456,27.64368252,17.10148378,412.64292,207.0669444,326.6068264,414.0191989,15.92381534,207.0669444,1.490968801,0.11050127,0.004250049,-5.727093499,367.4431164,14.13242755,15.35707816,716.3843877,354.9453111,573.0440324,710.3901426,27.32269779,354.9453111,-6.493765586,0.244823825,0.009416301,-3.658762658,239.9880356,9.230309061,14.24953158,429.6682915,215.3535483,340.1620112,430.6271885,16.56258417,215.3535483,1.038805115,0.07321213,0.002815851,-6.797424809,354.4786811,13.63379543,15.26368534,350.3534198,176.4335623,277.6582169,352.5988095,13.56149267,176.4335623,3.488095238,0.317796857,0.012222956,-2.980491581,326.3186397,12.55071691,15.04847325,0,11.99615143,16.00080347,-0.418388917,0.093238327,3.719669275,7.507310647,25,67,67,67,25,0,0,0,0,0,55.494694,3.531034274,3.479026204,3.423716742,3.355904228,3.260175155,3.142564041,3.026302799,2.88859929,1.930675442,1.811995045,1.726669651,1.681123591,1.629747787,1.577152951,1.498074481,1.417615115,3.546213051,3.39997446,3.358540837,3.288628268,3.193783249,3.104785775,3.00508252,2.876782705,1.874480786,1.772961609,1.747444265,1.69138267,1.614016946,1.540793299,1.460407388,1.357732188,3.676926166,3.600954889,3.559614554,3.501289169,3.410780282,3.309450452,3.212607097,3.088458128,1.693932454,1.554474103,1.491948937,1.43130794,1.35323972,1.284382497,1.191854759,1.083420013,3.565533203,3.411088871,3.341260846,3.275606184,3.18993595,3.114020178,3.013982898,2.894772989,1.84057275,1.774721278,1.737788371,1.685601475,1.604886385,1.516582624,1.431442634,1.321638454,3.733365275,3.63059419,3.601579539,3.54192984,3.454404932,3.366141294,3.276997322,3.160107216,1.639000822,1.500345362,1.457093047,1.391403158,1.303630132,1.223330369,1.128812068,1.009984283,4.564088492,3.847025188,3.772039098,3.659176506,3.587029647,3.494639784,3.386195279,3.271449121,1.767667086,1.611271792,1.463435873,1.417293836,1.371675525,1.312966619,1.232492895,1.162874404,0,0,0,0,0,12,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.97056275,12.91421356,8.778174593,5.957106781,4.035533906,2.728553391,1.840990258,1.239276695,0.729637029,0.516568542,0.365757275,0.259004643,0.183433359,0.129931114,0.092049513,0.065225089,16.92348389,10.41008589,6.26034271,3.865887057,2.384272228,1.438926593,0.878088131,0.531986464,0.650903227,0.416403436,0.260847613,0.168082046,0.10837601,0.068520314,0.043904407,0.027999288,35.66717851,67.62855062,64.32941176,65.36,39.65108144,525.777788,0.524517331,0.994537509,0.946020761,0.961176471,0.583104139,7.732026294,3.2024,103.7908,234.4497644,371.6027931,468.8995289,18.03459727,234.4497644,1.67E-15,6.41E-17,-88.47475096,269.0117733,10.34660666,14.54636338,938,1,0,6,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,20,0,0,0,0,0,0,0,0,0,0,0,1,0,19,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.695528879,0,35.32634519,0,0,3.527827489,0,0,3.694661601,0,0,3.75362065,0,0.695528879,0,0,0,0,0,0,0,0,0,0,0,0,0,9.288257785,0,0,0,0,0,0,0,0,0,0,0,2.254510401,0,16.41914441,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.52620933,0,26.80013586,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.695528879,0,5.072150982,0,0,3.527827489,0,0,3.694661601,0,0,3.75362065,0,0.695528879,0,0,0,0,0,0,0,0,0,0,0,0,0,0.22269636,0,0,0,0,0,0,0,0,0,0,0,2.254510401,0,0.048953086,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.52620933,0,5.072150982,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.695528879,0,8.52620933,0,0,3.527827489,0,0,3.694661601,0,0,3.75362065,0,0.695528879,0,0,0,0,0,0,0,0,0,0,0,0,0,0.656859568,0,0,0,0,0,0,0,0,0,0,0,2.254510401,0,1.390339961,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.52620933,0,5.565396452,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,54,2.076923077,0.695528879,8.52620933,-0.039647154,0.048953086,8.887976098,1.451046914,2.52620933,24.16171118,1.451046914,2.52620933,24.16171118,11.99998,0.46154,0,0.03846,0.52059,0.87692,0.43,0.52059,0.85556,0.09059,0,-0.09059,0.02137,0.52631,0.18798,0,0.06944,0,0,15.25,0.58654,15.25,0.58654,0,0,-15.25,-0.58654,0,0,29.84459,1.14787,38.69151,8.84692,0.34027,10.05736,0.38682,12.91421,2.85685,0.10988,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,25.06,6,6,6,6,1,1,1,1.257673596,1.773889011,2.815240435,3.545799789,3.987890783,4.27394841,85.52180455,120.6244527,191.4363496,241.1143857,271.1765733,290.6284919,0.20660062,0.291400384,0.462465317,0.5824758,0.655098994,0.702090267,4.829789245,4.31357383,3.272222406,2.541663052,2.099572058,1.813514431,0.20732857,0.292427123,0.464094798,0.584528133,0.657407212,0.704564057,11.6071481,16.92878245,20.89034367,24.0449954,26.43327047,27.37945889,95.18000011,75.95493245,66.5861995,53.66876859,44.79965078,40.24396838,26,25,25.04347826,26,0,10,3,3.2788,0,2.183219958,0,0,26.2720235,0,0,0,0,0,0,0.639753249,1.892080006,0,0,0,0,0,0,0.259,1.44,1.505,1.307,0.304,12.332,24,23,22,21,20,19,18,17,16,231,3.258096538,3.218875825,3.17805383,3.135494216,3.091042453,3.044522438,2.995732274,2.944438979,2.890371758,2.833213344,5.446737372,1,0.48,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23,0.92,25,1,1,13,25,0.923076923,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.02,0.009259259,0.005434783,0.003636364,0.002645503,0.002040816,0.001644737,0.001371742,0.001176471,0.001033058,0.060319474,234.4497644,371.6027931,468.8995289,18.03459727,234.4497644,1.67E-15,6.41E-17,-88.47475096,269.0117733,10.34660666,14.54636338,66.38,407.2175114,5.700439718,4.59511985,5.262690189,5.937536205,6.613384218,7.292337176,7.971430998,8.652248422,9.333000385,10.01489475,116.6726422,3.931825633,0,4.990432587,0,6.167516491,0,7.399398083,0,8.662331957,9.001222992,378.2981391,5.563207927,50.82842713,1.954939505,17.32987856,17.32987856,0,2925,23,3.315,98,1.243567164,2.127152847,2.846909119,3.628230332,4.831787858,5.912071167,7.129299502,8.130434171,9.452188123,10.54183427,98.61532835,93.43744538,108.037787,139.9372235,160.7288897,217.9229166,250.4552682,263.9314057,332.0768789,363.9997571,283.7605166,320.8758875,364.2672199,507.2294307,572.511201,753.8324891,916.7249987,948.4054103,1149.442793,1323.072409,9.690181829,16.55967377,21.64241332,26.66902786,36.26290718,45.28819101,52.38383311,61.30369582,72.30914772,78.17708818,1.961766362,2.410179933,2.867127289,4.040287605,4.539512201,5.936230354,7.387276403,7.531524815,9.082336875,10.61181178,182.5411176,340.8037418,474.430934,579.9686523,808.6174372,981.8849725,1160.349219,1362.795108,1581.906773,1727.414144,3.150906716,4.887852563,6.384471796,6.710037007,9.506299468,13.55733265,13.02998324,16.33254913,21.47861124,20.06875528,0.455836218,0.583417784,0.677407374,0.928504781,1.098115893,1.418535865,1.717439428,1.837208983,2.197558583,2.506444969,903.2584806,2478.191725,42.09971293,252.5288833,-692.8415313,-47.3953299,650.7295973,3171.033256,89.49504283,0.781509219,2.144158867,0.036425137,0.218490781,-0.59945415,-0.041006963,1043.974738,2864.262681,48.65831623,291.8696924,-800.7774871,-54.77892341,0.076480315,0.143378655,1.358596682,5.516486029,1037.863192,117.9241717,0.897970703,0.102029297,1943.620856,44.08651558,12.47969152,2358.820267,48.56768748,13.31164162,3466.589361,58.87774928,15.1344787,5.582168663,5.582168663,30155.62493,30078.12728,144.1239269,1.002576545,209.2339946,208.6962792,9.181817676,15.2884445,30.34783624,0.985017915,12.14926106,17.48965324,22.67399385,69.59397412,17.93965857,7.334902895,33.86258838,28.36560541,35.21299999,0.852840211,30.53810493,24.16271356,51.05223766,23.93906688,3.561538523,24.8577537,11.4968071,25.34872306,10.56494863,21.86561103,15.17338677,7.470756275,20.85508436,0.424165234,21.99938368,12.77835371,32.61692465,16.28683848,4.44514292,20.46560636,1.03950954,18.88668001,2.300746153,12.07546627,0.129365992,9.311670304,2.764375986,3.931994147,7.201420042,0.024909408,8.355282582,1.46659001,16.37108299,4.624141359,1.535763707,3.935813536,0.407011934,4.531010091,2.121474358,12.4447319,3.300782011,4.093764726,3.243967552,0.055888278,4.542725044,2.390166151,7.499086103,3.012038243,2.063035369,3.312941567,3.236210995,16.28811662,4.500645576,17.49092667,1.324390091,5.504948895,7.983203133,4.264885544,10.78397984,0.110563802,9.575389142,5.020896686,16.96051766,7.284885345,1.257747492,6.673979095,1.634106234,6.545332176,3.359516167,10.72810645,4.506960745,2.905141541,5.030181623,0.085814777,6.112947815,3.683468625,8.961277751,4.377522905,1.452114226,5.026528531,11.69086982,18.88169503,26.88477691,65.34259897,15.98604186,9.756348705,32.24952622,26.62722089,33.44829867,0.772670943,31.07307214,22.43946615,50.90905354,22.70260437,3.731889357,23.95788669,10.45283048,26.85010993,10.08413703,23.40379872,14.85948469,9.288230524,20.01216808,0.39823222,24.02675006,12.26332012,31.81177629,15.65936558,5.051796307,19.55438747,4.702678202,15.30066377,5.032877986,22.9424933,2.86933697,4.656919648,11.72602356,5.926357887,13.71315993,0.194109418,11.18142356,7.768935686,20.24158535,9.400471641,1.295261493,8.844558562,2.783853482,7.821283874,4.307062134,11.39021779,5.561329404,2.370604821,6.66974033,0.12044304,6.945878343,4.7226017,11.38504798,5.659711758,1.282629398,6.634315902,14.85262242,18.37159199,32.22805206,92.63033893,26.15353211,8.931190286,43.02140076,40.15527189,45.32310054,1.183149085,39.14376593,31.16526212,65.1987903,30.56416871,4.528117325,32.10366229,15.78491839,34.12813853,13.33143025,26.39124812,19.7629439,10.07343903,27.66642193,0.568687212,29.69810355,16.60121592,42.47432169,21.18870124,6.068022906,27.12068457,9.39823258,23.27446776,31.40324904,44.14316603,7.722721368,22.57758218,22.32750752,18.22562473,23.79538562,0.418758112,28.70189717,14.42051066,52.70604139,16.39866483,4.071771294,17.43373127,5.905432848,26.29288912,7.865182281,33.24630169,11.48425185,14.20872719,14.29559109,0.28541486,25.74859383,9.481895326,29.6410084,11.49929752,7.087941439,13.80618472,83.68104184,0.78731397,0.486095385,0.985010681,0.009267483,0.566401215,0.683480438,0.588230934,84.9544512,106.9429311,223.9229276,0.977516022,1.838112587,80.98618268,0.293335752,0.088017229,0.995313205,0.003605071,0.530534223,0.094948054,0.019285915,81.36753566,30.91014077,114.3686263,0.992969807,0.644768192,81.71271888,0.499354941,0.251068915,0.990899888,0.006055492,0.540085155,0.275267338,0.156924501,82.46314274,61.44454611,154.152217,0.986349832,0.972276993,83.62587579,0.755573718,0.461354536,0.985656671,0.008905572,0.56565547,0.629571056,0.529876249,84.84280405,102.1152784,216.1090058,0.978485006,1.725102776,82.18813722,0.601592132,0.332851052,0.988758251,0.007237409,0.546382693,0.399494112,0.27580665,83.1225804,77.00038521,176.5803654,0.983137377,1.221683455,83.94527405,0.818464392,0.511918576,0.98439903,0.009597867,0.569982223,0.738399852,0.65238902,85.27565702,112.09835,232.5459962,0.976598545,1.960771095,84.20074264,0.765885812,0.469535376,0.985539833,0.008964422,0.573457434,0.646672225,0.548834625,85.43616383,104.382992,220.0986255,0.97830975,1.768964284 +UMLCP0015,L,CCCCCCCCCCOCCOCCOCCOCCOCCOCCO,C10E6,60.3,0,-3.4868,12.15777424,102.7293,75.006478,0,0,75,29,46,0,22,0,7,0,0,0,0,0,0,0,5012.325613,5223.039624,5712.156335,5655.531286,5222.992033,5157.220872,5021.695711,4621.140218,4535.225185,12261.95952,15533.39842,19856.75463,20424.33309,20084.25877,19303.59333,17909.53096,17473.01337,16698.9049,568.402708,573.31284,1084.794404,1322.468704,1198.012324,1346.593152,1166.89822,1052.680448,1164.973276,86.31042162,109.8891819,150.0704446,165.1324275,166.3517701,157.184511,143.9270698,143.5847311,134.9541257,12593.84683,10971.07753,22514.99706,29205.7725,26929.4947,30498.26929,25718.59132,23576.11942,26276.97649,206.75,181.5,318.25,379,283.75,343.5,338.25,255,302.75,66.83100817,70.58161654,41.09464989,32.50305337,31.65449717,28.65122707,32.82154059,32.09125151,29.25951732,163.4927936,209.9107895,142.8543498,117.3812246,121.7227804,107.2421852,117.0557579,121.3403706,107.7348703,7.578702773,7.747470811,7.804276288,7.600394851,7.260680752,7.481073067,7.626785752,7.310280889,7.515956619,1.150805622,1.484988945,1.079643486,0.94903694,1.008192546,0.873247283,0.940699803,0.997116188,0.870671779,167.9179577,148.2578045,161.9783961,167.8492672,163.2090588,169.4348294,168.0953681,163.7230515,169.5288806,2.756666667,2.452702703,2.289568345,2.17816092,1.71969697,1.908333333,2.210784314,1.770833333,1.953225806,1.237272067,-0.290099281,-0.718037885,0.591033943,-0.058361182,-0.471103167,0.497912285,-0.057293187,-0.379257178,2631.081672,93.46352402,-1133.77433,-104.7450441,190.5036569,206.6870504,-107.3855115,129.9621088,134.3250688,3466.720747,-407.6023505,-1220.832772,199.810868,-659.4629621,492.3355822,167.154328,-534.3253724,383.7163478,6.855117547,-0.078230646,-2.912915453,2.872199398,0.852249664,-1.521658432,2.148117325,0.428558204,-1.50455877,15.2055351,-3.844870586,-4.384881616,4.272927572,-5.776846191,1.455045393,3.520050941,-4.71076503,1.078858592,85.18297504,-24.52332089,-23.23228663,30.62697584,-36.00226753,5.814547962,25.10560804,-29.51360772,3.980602824,55.52,-1.5664,-20.5904,15.5936,7.276,-9.228,12.0192,4.3416,-9.508,0.016496961,-0.003920261,-0.00516574,0.003396747,-3.54E-04,-0.00261724,0.003254329,-3.98E-04,-0.002446821,35.08108895,1.263020595,-8.156649857,-0.601983012,1.154567617,1.148261391,-0.701866088,0.902514644,0.866613347,46.2229433,-5.508139871,-8.782969585,1.148338322,-3.996745225,2.735197679,1.092511948,-3.710592864,2.475589341,0.091401567,-0.001057171,-0.020956226,0.016506893,0.005165149,-0.008453658,0.014039983,0.002976099,-0.009706831,0.202740468,-0.051957711,-0.031545911,0.024557055,-0.035011189,0.008083586,0.023006869,-0.032713646,0.006960378,1.135773001,-0.331396228,-0.167138753,0.176017103,-0.218195561,0.032303044,0.164088941,-0.204955609,0.025681309,0.740266667,-0.021167568,-0.148132374,0.089618391,0.04409697,-0.051266667,0.078556863,0.03015,-0.061341935,-0.237635318,-0.313132838,0.205901367,-0.021440563,-0.158649816,0.197268375,-0.024117736,-0.148319471,0.03600289,-0.232508457,-0.017159758,0.032911396,0.032731635,-0.020006964,0.025726529,0.024703148,-0.119164629,-0.190013205,0.02484347,-0.086466697,0.059174027,0.023635707,-0.080275997,0.053557588,-0.011566223,-0.229276444,0.180597484,0.056510513,-0.092489201,0.153607678,0.032560696,-0.106199829,-0.256276959,-0.155597505,0.121125571,-0.172689692,0.039871593,0.113479411,-0.161357258,0.034331469,-0.291780336,-0.147158589,0.1549756,-0.192111945,0.028441462,0.14447336,-0.180454729,0.022611304,-0.028594517,-0.200106773,0.121062307,0.059569033,-0.069254323,0.106119681,0.040728566,-0.082864646,1.245362449,1.663740983,0.912019388,0.590659866,1.166765058,0.976971697,0.6869439,1.218800232,1.11730746,1.37144584,1.041017691,0.868230396,0.947036859,1.055033007,0.895311441,0.969692241,1.537766439,1.272714712,0.936116521,1.164222849,0.864090607,0.929729244,1.143591501,0.865582411,0.941858102,1.611942423,0.977862984,0.49405212,1.146728092,1.054896656,0.609079604,1.217820106,1.811902224,1.272123138,0.833502234,1.276988024,0.862839833,0.831255506,1.247022113,0.863207894,1.868203482,1.285032284,0.805436355,1.283758182,0.873376288,0.80760367,1.256323606,0.876103072,0.963616715,1.368811291,0.867503478,0.420050651,0.988532661,0.94083743,0.506761828,1.068432184,508.69702,255.22351,402.1965486,510.3263303,17.59745967,255.22351,1.75,0.103956271,0.003584699,-6.564976317,351.2147691,12.11085411,16.99805395,508.9163028,255.330581,402.3719702,510.5408268,17.6048561,255.330581,1.744859054,0.103594122,0.003572211,-6.575096603,351.2412514,12.11176729,16.99827261,703.6274972,350.4172679,559.6499422,701.0271539,24.17335013,350.4172679,-2.792961346,0.110735542,0.003818467,-6.381770226,345.0743037,11.89911392,16.94690332,509.1464457,255.4429547,402.556086,510.7659463,17.61261884,255.4429547,1.739463602,0.103214464,0.003559119,-6.585744225,351.2712763,12.11280263,16.9985205,910.3353574,451.3796488,728.0786375,903.2817844,31.14764774,451.3796488,-7.57605985,0.221116393,0.007624703,-4.376291549,510.2480021,17.59475869,18.08120097,531.6682124,266.4400758,420.6038155,532.7965696,18.37229551,266.4400758,1.211939301,0.068069804,0.002347235,-7.792942547,365.4742596,12.60256067,17.11346797,424.7277801,213.8149696,335.2866378,427.3501959,14.73621365,213.8149696,4.056277056,0.306347387,0.010563703,-3.43080315,424.379431,14.63377348,17.54682102,0,11.99614144,16.00166712,-0.41840042,0.093707393,3.719662294,7.507315471,28,74,74,74,28,0,0,0,0,0,61.783522,3.531067145,3.485224557,3.439428049,3.382281588,3.307937035,3.209681962,3.103135862,2.995704412,1.930675442,1.811995244,1.731110694,1.695465381,1.64839178,1.605216985,1.54630895,1.473318297,3.546213057,3.40011981,3.366406124,3.312558979,3.23512657,3.149604807,3.071548513,2.970843914,1.874480826,1.773825714,1.754140157,1.710921048,1.647576205,1.577323343,1.513294757,1.432224873,3.676927911,3.605355763,3.570182279,3.524077067,3.453634932,3.364164414,3.275956512,3.182747087,1.693932455,1.554480877,1.498153246,1.451403853,1.385266749,1.318901136,1.252015128,1.160761404,3.565533204,3.411094878,3.347962348,3.297526052,3.225550674,3.152093836,3.079596087,2.980377,1.840574716,1.778656584,1.747076961,1.705795278,1.642540405,1.563323772,1.486865494,1.403904447,3.733365396,3.632835761,3.609203642,3.563945791,3.493730706,3.411554326,3.33579496,3.246740273,1.639000826,1.500422947,1.464311812,1.413632756,1.341262103,1.263391117,1.19146514,1.096235152,4.569042548,3.855984095,3.799947782,3.711440955,3.613656825,3.565645368,3.455646701,3.36757595,1.766314992,1.609907582,1.466684627,1.430240148,1.386712497,1.344048144,1.279970594,1.210040456,0,0,0,0,0,14,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.09188309,14.41421356,9.838834765,6.707106781,4.565863992,3.103553391,2.106155301,1.426776695,0.727306314,0.514793342,0.364401288,0.257965645,0.18263456,0.129314725,0.09157197,0.064853486,18.74594574,11.48743616,6.872715146,4.237895525,2.604185431,1.563926593,0.954024041,0.576876058,0.646411922,0.410265577,0.254545005,0.162995982,0.104167417,0.065163608,0.041479306,0.026221639,39.46563322,74.73488711,71.12941176,72.28,43.72842994,579.9888192,0.526208443,0.996465161,0.948392157,0.963733333,0.583045733,7.733184255,3.219,114.6098,291.7721197,462.3611151,583.5442393,20.12221515,291.7721197,4.44E-16,1.53E-17,-102.516468,2000202.582,68972.50284,42.07540117,1176,1,0,7,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,22,0,0,0,0,0,0,0,0,0,0,0,1,0,21,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.69446265,0,40.81581411,0,0,3.523824889,0,0,3.689635701,0,0,3.745917155,0,0.69446265,0,0,0,0,0,0,0,0,0,0,0,0,0,10.68195672,0,0,0,0,0,0,0,0,0,0,0,2.25477601,0,17.42940988,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.538077687,0,32.27773642,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.69446265,0,5.074174818,0,0,3.523824889,0,0,3.689635701,0,0,3.745917155,0,0.69446265,0,0,0,0,0,0,0,0,0,0,0,0,0,0.223885421,0,0,0,0,0,0,0,0,0,0,0,2.25477601,0,0.042942492,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.538077687,0,5.074174818,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.69446265,0,8.538077687,0,0,3.523824889,0,0,3.689635701,0,0,3.745917155,0,0.69446265,0,0,0,0,0,0,0,0,0,0,0,0,0,0.665124031,0,0,0,0,0,0,0,0,0,0,0,2.25477601,0,1.388409054,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.538077687,0,5.581330124,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,60.5,2.086206897,0.69446265,8.538077687,-0.046193782,0.042942492,9.375038798,1.457057508,2.538077687,28.14118024,1.457057508,2.538077687,28.14118024,13.33331,0.45977,0,0.04023,0.52622,0.88506,0.43034,0.52622,0.86556,0.09589,0,-0.09589,0.0195,0.51948,0.19481,0,0.0625,0,0,17.25,0.59483,17.25,0.59483,0,0,-17.25,-0.59483,0,0,33.86047,1.1676,44.57373,10.71327,0.36942,11.05365,0.38116,14.41421,3.36057,0.11588,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,28.07,7,7,7,7,1,1,1,1.27091429,1.765500281,2.761623784,3.446007297,3.864386492,4.143997105,95.31857174,132.4125211,207.1217838,258.4505472,289.8289869,310.7997829,0.204037772,0.283440628,0.443362365,0.55323609,0.620404395,0.665294225,4.957904401,4.463318409,3.467194906,2.782811394,2.364432198,2.084821586,0.204674102,0.28432459,0.444745072,0.554961459,0.622339241,0.667369068,11.77194668,16.90891319,20.63041853,23.61558913,25.92153103,26.92234432,106.2911614,85.85147795,76.47411918,63.32870065,54.01919094,48.76487882,29,28,28,29,0,10,3.11,3.6193,0,2.170273073,0,0,0,0,0,0,0,0,0,0.668048377,2.491141646,0,0,0,0,0,0,0.259,1.651,1.731,1.492,0.318,13.69,27,26,25,24,23,22,21,20,19,264,3.36729583,3.33220451,3.295836866,3.258096538,3.218875825,3.17805383,3.135494216,3.091042453,3.044522438,2.995732274,5.579729826,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26,0.928571429,28,1,1,14,28,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.017857143,0.008230453,0.004807692,0.0032,0.002314815,0.001774623,0.001420455,0.001175779,0.001,8.70E-04,0.053666312,291.7721197,462.3611151,583.5442393,20.12221515,291.7721197,4.44E-16,1.53E-17,-102.516468,2000202.582,68972.50284,42.07540117,75.61,450.5997074,5.857980995,4.709530201,5.379897354,6.056784013,6.73459166,7.41517511,8.095903533,8.778171881,9.460398456,10.14364553,123.7740977,4.043051268,0,5.105945474,0,6.285998095,0,7.520234556,0,8.785233624,9.123256265,422.3243538,5.630991384,56.82842713,1.959600935,20.32987632,20.32987632,0,4060,26,3.125,110,1.237843959,2.121938409,2.862738276,3.695711295,4.885053712,5.981735734,7.240064238,8.230110442,9.574953632,10.71409963,100.7545353,96.53133174,113.31813,146.8915651,166.8202801,229.7264029,263.6440338,274.2409283,351.7596841,384.7532617,283.6846348,322.8773546,373.1213486,521.3029594,580.3812929,774.6629322,944.6303208,961.9082734,1185.689356,1370.050287,9.700734727,16.65037618,21.91705238,27.2432532,36.88509894,46.17423787,53.32343975,62.41462608,73.84165832,79.54486185,1.943161201,2.394558702,2.907377785,4.123879607,4.554235229,6.037882801,7.557222741,7.560033771,9.267217435,10.91615003,181.9099145,340.670378,476.7104412,590.0977446,819.2544677,993.6665928,1175.52998,1382.63251,1602.617787,1749.226854,3.193998459,4.997374465,6.603863513,6.925211492,9.804202159,14.11155856,13.3842309,16.81814714,22.40101535,20.51096713,0.4559368,0.586239996,0.69105612,0.953111515,1.113710041,1.452736883,1.764607959,1.864210084,2.256711892,2.584057095,972.771225,3034.638441,51.36492387,185.4806447,-578.621859,-46.32677304,787.2905803,3613.2603,97.69169692,0.839861562,2.620016009,0.044346938,0.160138438,-0.499564796,-0.039997149,1126.71409,3514.875649,59.49351912,214.8333036,-670.1898501,-53.6580715,0.067263008,0.126098847,2.965575044,4.639768397,1005.259449,152.9924206,0.867910923,0.132089077,2168.181114,46.56373175,12.94290765,2634.347819,51.32589813,13.81097604,3868.196627,62.19482798,15.69770563,7.742453073,7.742453073,42931.39333,42846.71955,155.384646,1.001976202,276.2910908,275.7461607,9.90026788,17.89398957,34.68742156,0.938495685,18.65601814,21.68347971,21.69942913,76.17789399,41.39845066,2.343013393,53.64622322,21.55082908,52.05344928,0.271075721,19.22661211,33.29980389,10.01535352,30.72885417,0.001739307,51.64264879,15.91925203,49.32219576,16.91966788,0.109229244,39.44869238,4.311921656,47.84516012,4.521168958,6.600112849,20.6590739,0.541337738,24.94286567,0.635645107,31.70325968,1.591114031,24.06126936,2.239474858,15.85465698,0.29346569,2.321313345,5.046296156,0.222631245,8.884223442,0.001910267,19.77387104,1.83637589,4.085251473,5.420841491,2.05E-04,9.375124969,0.59398143,18.03902808,2.948745787,0.139298876,4.375234465,0.090742298,8.606952795,0.537476982,5.585895435,3.715642965,0.030963718,4.23742078,0.01832047,11.48225206,4.983624186,19.61021541,4.667473232,18.63491793,3.043251528,1.291189994,14.6247047,1.631878647,14.0816876,0.019898142,13.5689729,6.377692252,3.440092558,8.459938196,2.22E-04,14.4533185,2.367545914,17.21632484,4.633651457,0.088412264,7.538990673,0.467106497,12.38024963,0.806121939,4.435367461,5.32117393,0.061111861,6.119172602,0.075923873,11.97586259,17.89475499,24.06672875,25.26923547,72.45415001,36.88662501,3.017285556,51.30608072,19.22690234,51.06550521,0.241524316,22.83632613,30.78997418,10.05657599,29.14653023,0.001613371,54.72928945,14.5085502,52.67165978,16.19990685,0.140329031,37.0610046,3.884257801,48.3229943,4.731628295,7.475425819,20.07840216,0.489077405,24.11292548,0.574414787,34.43084905,7.259429225,17.91978025,5.447074598,23.20364174,6.605695366,1.132411881,21.10987409,3.474706612,18.01953912,0.04321882,11.31638871,10.0329512,3.790727165,11.02822315,3.25E-04,17.50255721,3.985560884,18.11983296,6.028353538,0.077201153,10.74981236,0.868945201,15.44230918,1.01887383,4.048338823,6.817462564,0.104970216,7.956128648,0.135593725,12.69877096,22.76073388,23.20176467,30.11983775,103.5734602,60.36963065,2.946067671,65.44168133,31.39409047,68.57282058,0.395335015,22.58230393,43.6720031,13.34544493,40.12254533,0.002499786,67.72368581,21.71322194,64.08082465,22.06841629,0.128268957,53.77622414,6.099867982,63.46238672,6.366044979,7.685896727,27.31479202,0.77794677,33.12215614,0.892800457,40.61057394,14.10700976,31.57864064,28.8493597,52.48331539,17.86001477,6.314977656,36.67628602,9.401732702,40.33121818,0.116911718,33.45180915,19.27341559,10.64147515,20.68976067,0.001017265,53.36568335,8.366006195,55.32842054,12.12893048,0.288256628,24.21854615,2.086582816,42.71924899,4.329607338,9.640015855,15.29220141,0.269735805,17.86715952,0.312979435,38.63998316,107.543536,0.780470807,0.467165927,0.98853182,0.007174027,0.567489673,0.70945722,0.594994871,108.7911727,134.5398753,282.5424287,0.98279773,1.871941764,103.1491998,0.284167581,0.083751605,0.996445813,0.002745126,0.522066422,0.094301628,0.019215,103.517119,37.97436913,143.9463866,0.99466872,0.63558305,104.959788,0.492052934,0.240703305,0.993067096,0.004655512,0.540551604,0.282464554,0.158529398,105.6925442,77.02837825,195.1522304,0.989600644,0.981545556,107.2575097,0.747140649,0.442566992,0.989029616,0.00688944,0.564475407,0.650218044,0.534227543,108.4472173,127.9357386,271.8487015,0.983544424,1.748920995,105.8721206,0.595822538,0.320060637,0.991423351,0.005579489,0.549988335,0.413954584,0.279974199,106.7880038,97.15719329,224.1349407,0.987135027,1.243917118,107.8239876,0.811330583,0.491879552,0.98805788,0.007434724,0.570453259,0.766499676,0.659315277,109.1271977,140.9163904,293.0736533,0.982086819,1.996268212,108.0380564,0.75857957,0.450950932,0.988928538,0.006943673,0.572721133,0.670195832,0.554606297,109.2475869,131.0174068,277.2228858,0.983392807,1.797523261 +UMLCP0016,L,CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO,C10E8,84.5,0,-3.7486,14.05200196,124.8163,88.984822,0,0,89,35,54,0,26,0,9,0,0,0,0,0,0,0,6109.446611,6377.080526,6999.277429,6978.524924,6482.018151,6456.534734,6344.689349,5880.166336,5834.539047,14637.47864,18509.24316,23613.04339,24373.85418,24226.6664,23432.88703,21859.05205,21615.421,20828.1986,679.015916,685.470464,1299.595228,1565.792312,1420.858716,1642.015544,1410.221828,1275.52684,1460.395668,102.3093329,129.7326964,175.9705546,194.3178371,198.6605423,188.4199758,173.1124794,175.8935033,166.1895905,14951.26804,13063.01994,26828.08428,34269.64831,31725.7587,37030.36834,30782.46713,28372.38343,32809.07554,248.25,219,387.75,460.5,341.25,425,419.75,312.5,384.25,68.64546754,72.46682416,42.41986321,34.20845551,33.24111872,29.61713181,34.6704336,33.7940594,30.23077226,164.4660521,210.3323087,143.1093539,119.4796773,124.2393148,107.4903075,119.4483719,124.2265575,107.9181275,7.629392315,7.789437091,7.876334715,7.67545251,7.286454954,7.532181394,7.706130208,7.330614023,7.566816933,1.149543066,1.474235187,1.066488209,0.952538417,1.018772012,0.864311816,0.945969833,1.010882203,0.861085961,167.9917757,148.4434084,162.5944502,167.9884721,162.6961985,169.864075,168.2102029,163.0596749,169.9952101,2.789325843,2.488636364,2.35,2.257352941,1.75,1.949541284,2.293715847,1.795977011,1.990932642,1.567470714,-0.353151328,-0.943845285,0.777846114,-0.060705152,-0.655571367,0.684724456,-0.059637157,-0.563725379,3178.843435,141.9129404,-1377.026968,-185.9196283,236.4668798,291.1646468,-189.4391355,173.3937172,214.0462037,4097.699402,-518.2149884,-1368.91439,257.7294732,-927.3880358,717.0855048,225.1091992,-800.965639,606.2559867,8.700607011,-0.126612505,-4.054749717,3.563638221,1.163808728,-2.244496904,2.831126258,0.702309259,-2.245425991,17.95736455,-5.055042991,-4.800939171,5.73598805,-7.947635357,2.162338621,4.983027815,-6.882155293,1.78643406,100.8599411,-32.39580217,-25.5916689,41.05834954,-49.37314983,8.766411244,35.53204679,-42.9172937,6.943666641,65.59550562,-1.521398813,-27.16020704,18.18558263,9.397487691,-12.9361823,14.56205025,6.313281151,-13.30823128,0.01761203,-0.004013083,-0.005720274,0.003812971,-3.11E-04,-0.003007208,0.003741664,-3.43E-04,-0.002920857,35.71734196,1.61264705,-8.34561799,-0.911370727,1.212650666,1.335617646,-1.035186533,0.996515616,1.109047688,46.04156631,-5.888806686,-8.296450849,1.263379771,-4.755836081,3.289383049,1.230104914,-4.603250799,3.141222729,0.097759629,-0.001438778,-0.024574241,0.017468815,0.00596825,-0.010295857,0.015470635,0.00403626,-0.011634332,0.201768141,-0.05744367,-0.029096601,0.028117588,-0.040757104,0.009918984,0.02722966,-0.039552617,0.009256135,1.133257765,-0.368134116,-0.155101024,0.201266419,-0.25319564,0.040212896,0.19416419,-0.246651113,0.035977547,0.737028153,-0.017288623,-0.164607315,0.089145013,0.048192245,-0.059340286,0.079574045,0.036283225,-0.068954566,-0.227860341,-0.324793581,0.2164981,-0.017675899,-0.170747382,0.212449308,-0.019460691,-0.165844414,0.045150254,-0.233657309,-0.025516197,0.033951313,0.037394094,-0.028982743,0.02790005,0.031050678,-0.127901962,-0.1801948,0.027439982,-0.103294402,0.071443769,0.026717269,-0.099980326,0.068225801,-0.014717512,-0.251374119,0.1786915,0.061050251,-0.105318089,0.158251779,0.041287596,-0.119009571,-0.284701391,-0.144208104,0.139355938,-0.201999702,0.049160311,0.134955202,-0.196030039,0.045875107,-0.32484588,-0.13686297,0.177599859,-0.223422815,0.035484333,0.171332768,-0.217647848,0.031747012,-0.023457208,-0.223339251,0.120951978,0.065387251,-0.080512916,0.107966086,0.04922909,-0.093557574,1.237827756,1.708662097,0.938329587,0.58429531,1.201787043,0.998740952,0.662695605,1.254818738,1.08712479,1.37457237,1.061663216,0.865115476,0.949344965,1.077444438,0.888446834,0.969481677,1.537549049,1.248294152,0.933238691,1.197029754,0.84618212,0.926883395,1.182957901,0.844387924,0.942502056,1.655752798,1.00984745,0.487053513,1.1773534,1.080937342,0.57916143,1.244180678,1.842335378,1.245609056,0.814334924,1.328249202,0.843403296,0.80957869,1.308392143,0.840405921,1.904866783,1.261682818,0.783511523,1.336414441,0.85629711,0.782413408,1.319292308,0.855792099,0.952809181,1.437090328,0.915743036,0.426545796,1.030782189,0.982341059,0.499228204,1.100005858,732.3246031,367.2873016,578.4886571,734.4460317,20.98417233,367.2873016,2.25,0.088132146,0.002518061,-8.501212742,493.3403425,14.09543836,21.7041975,732.6706164,367.4570033,578.766799,734.7858129,20.99388037,367.4570033,2.243390212,0.08782068,0.002509162,-8.513603956,493.5112793,14.10032227,21.70541,1039.465968,517.9375089,826.4832066,1036.080215,29.60229186,517.9375089,-3.590950303,0.091647855,0.00261851,-8.364305968,493.8716288,14.11061797,21.70796468,733.0337646,367.6351089,579.0587196,735.1424204,21.00406916,367.6351089,2.236453202,0.087494192,0.002499834,-8.526640037,493.6930483,14.10551567,21.70669888,1364.524282,677.3918169,1089.941679,1355.340242,38.72400692,677.3918169,-9.740648379,0.181484438,0.00518527,-5.973048802,619.8513308,17.71003802,22.50317881,768.5641583,385.061183,607.6429804,770.0333255,22.00095216,385.061183,1.558207673,0.057429656,0.001640847,-10.0001806,524.8872959,14.99677988,21.92114248,595.7331743,299.7037172,468.4057765,599.1106264,17.11744647,299.7037172,5.194139194,0.269221974,0.007692056,-4.592766706,597.7883384,17.07966681,22.3763286,0,11.99612566,16.00350474,-0.418421862,0.095087344,3.719659447,7.507321596,34,88,88,88,34,0,0,0,0,0,74.361178,3.531083072,3.49263928,3.460972091,3.417723911,3.366698266,3.301487627,3.2205604,3.131894663,1.930675442,1.811995276,1.736142524,1.713220307,1.67873009,1.640041418,1.603268963,1.555310524,3.546213057,3.400224518,3.375371714,3.340946063,3.289337336,3.224063612,3.153736455,3.088035417,1.874480831,1.774984965,1.76208957,1.734413552,1.691987656,1.638111559,1.580143617,1.526059258,3.676928354,3.61079224,3.585311286,3.551785319,3.50692791,3.445082356,3.371479391,3.296622999,1.693932455,1.554483052,1.505099407,1.475405305,1.430291011,1.374885392,1.319941681,1.264929719,3.565533204,3.411096694,3.355433104,3.323540768,3.274840285,3.214519985,3.153786797,3.094089249,1.840575254,1.783554412,1.760482346,1.730407931,1.689929141,1.634252923,1.568853858,1.503732821,3.733365414,3.63592954,3.618737079,3.590068558,3.544262468,3.484047497,3.416457709,3.351952567,1.639000826,1.500470019,1.472497718,1.440097565,1.391498853,1.33055854,1.266368346,1.206204592,4.576698467,3.866865113,3.832383994,3.776341725,3.70153015,3.620641231,3.57816976,3.494536619,1.764227022,1.607800964,1.469655708,1.446309496,1.412096588,1.37722568,1.339929338,1.288796182,0,0,0,0,0,18,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,25.33452378,17.41421356,11.96015511,8.207106781,5.626524164,3.853553391,2.636485387,1.801776695,0.723843537,0.512182752,0.362428943,0.256472087,0.181500779,0.12845178,0.090913289,0.064349168,22.39086945,13.6421367,8.097460017,4.981912461,3.044011836,1.813926593,1.105895863,0.666655247,0.639739127,0.401239315,0.245377576,0.155684764,0.09819393,0.06046422,0.03813434,0.023809116,47.06254264,88.94756009,84.72941176,86.12,51.88312695,688.4108814,0.528792614,0.999410787,0.952015863,0.967640449,0.582956483,7.734953724,3.2522,136.2478,425.1768832,673.5805169,850.3537664,24.2958219,425.1768832,1.19E-15,3.41E-17,-120.2666319,2000286.973,57151.05637,50.78080425,1734,1,0,9,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,26,0,0,0,0,0,0,0,0,0,0,0,1,0,25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.692400857,0,51.827439,0,0,3.516484408,0,0,3.681659829,0,0,3.736833232,0,0.692400857,0,0,0,0,0,0,0,0,0,0,0,0,0,13.48564015,0,0,0,0,0,0,0,0,0,0,0,2.254986021,0,19.41757498,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.55670741,0,43.27073159,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.692400857,0,5.078682923,0,0,3.516484408,0,0,3.681659829,0,0,3.736833232,0,0.692400857,0,0,0,0,0,0,0,0,0,0,0,0,0,0.22567831,0,0,0,0,0,0,0,0,0,0,0,2.254986021,0,0.035140351,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.55670741,0,5.078682923,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.692400857,0,8.55670741,0,0,3.516484408,0,0,3.681659829,0,0,3.736833232,0,0.692400857,0,0,0,0,0,0,0,0,0,0,0,0,0,0.677170516,0,0,0,0,0,0,0,0,0,0,0,2.254986021,0,1.385334627,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.55670741,0,5.60104342,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,73.5,2.1,0.692400857,8.55670741,-0.054587826,0.035140351,10.3334251,1.464859649,2.55670741,36.16485005,1.464859649,2.55670741,36.16485005,15.99997,0.45714,0,0.04286,0.53483,0.89714,0.43084,0.53483,0.88056,0.10399,0,-0.10399,0.01659,0.50955,0.20474,0,0.05208,0,0,21.25,0.60714,21.25,0.60714,0,0,-21.25,-0.60714,0,0,42.15854,1.20453,56.77702,14.61848,0.41767,13.04621,0.37275,17.41421,4.368,0.1248,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,34.09,9,9,9,9,1,1,1,1.290287557,1.744647449,2.657286711,3.262973782,3.637688969,3.897908263,114.8355926,155.273623,236.4985173,290.4046666,323.7543182,346.9138354,0.19924964,0.269413105,0.41034529,0.5038771,0.561741617,0.601925373,5.185445874,4.731085982,3.81844672,3.212759649,2.838044462,2.577825168,0.199752491,0.270093029,0.411380887,0.505148746,0.563159297,0.603444466,12.01131489,16.77964407,20.09222788,22.77005692,24.88784049,25.90102099,128.5926055,106.2164158,96.88897716,83.5975014,73.80512418,67.72623968,35,34,34,35,0,10,3.33,4.3003,0,2.144966705,0,0,0,0,0,0,0,0,0,0.708400186,3.74686121,0,0,0,0,0,0,0.259,2.073,2.183,1.862,0.346,16.406,33,32,31,30,29,28,27,26,25,330,3.555348061,3.526360525,3.496507561,3.465735903,3.433987204,3.401197382,3.36729583,3.33220451,3.295836866,3.258096538,5.802118375,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,32,0.941176471,34,1,1,17,34,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.014705882,0.006734007,0.00390625,0.002580645,0.001851852,0.00140746,0.001116071,9.14E-04,7.69E-04,6.61E-04,0.043843582,425.1768832,673.5805169,850.3537664,24.2958219,425.1768832,1.19E-15,3.41E-17,-120.2666319,2000286.973,57151.05637,50.78080425,94.07,537.3640993,6.129283017,4.905274778,5.579729826,6.259581464,6.940222469,7.623153068,8.306225216,8.990566138,9.674891664,10.3600576,137.6397022,4.234106505,0,5.303304908,0,6.487684018,0,7.725330038,0,8.993303139,9.330077054,510.3767833,5.734570599,68.82842712,1.966526489,26.32987601,26.32987601,0,7140,32,2.745,134,1.246090909,2.125393907,2.845892625,3.641118149,4.812587372,5.920257005,7.109010136,8.080449894,9.434981013,10.51210009,102.7790399,98.14410441,117.3655792,151.3678841,169.3718439,238.1034188,272.3534911,277.8975048,365.8091419,398.1455409,284.3862063,320.8909734,374.8005351,523.9322584,572.6902788,777.9814957,949.8202206,946.3799045,1192.62214,1381.846641,9.808669606,16.80306353,22.00465904,26.94882948,36.56583764,46.18322401,52.52331137,61.69404718,73.55297435,78.17297027,1.935452911,2.3560253,2.883393342,4.105311651,4.441721579,5.982966323,7.523329613,7.345039288,9.190021892,10.91241109,183.4614445,342.7816151,475.007324,579.3239425,808.9992672,985.2253086,1149.373276,1361.071325,1580.750178,1706.644108,3.245318182,5.101141671,6.789950706,6.946316265,9.838178486,14.45788141,13.3409027,16.81489666,22.88095609,20.28526521,0.458571467,0.58522783,0.693044471,0.954556574,1.100077406,1.454702964,1.765375713,1.835453957,2.258516787,2.589536457,1181.645576,4574.760205,58.90944495,293.5384484,-1136.438912,-62.80468026,888.1071274,5711.199117,121.7141252,0.801015708,3.101145437,0.039933625,0.198984292,-0.770370946,-0.042574133,1743.144676,6748.613169,86.90227207,433.0232296,-1676.456527,-92.64846097,0.054199019,0.101607614,0.953199677,3.857261445,1316.427264,158.7567605,0.892381725,0.107618275,2715.944957,52.11472879,13.9521238,3247.388801,56.98586492,14.80851227,4951.460293,70.36661348,17.04424495,6.7266111,6.7266111,72121.33838,72016.91251,191.027554,1.001450019,377.544165,376.9975115,11.08171113,20.90876171,40.7900617,0.950859752,15.49606828,22.63177107,33.23244446,87.7164574,19.55604016,11.47678401,49.72871931,42.2184217,39.72591885,0.853121869,50.00031714,24.45767105,86.65158518,23.9408055,4.494352995,36.61663941,12.39547896,34.17370302,10.56494863,40.49457481,15.88626094,15.44710787,23.54714516,0.438212288,37.94710712,12.77835383,75.8541692,16.28683852,9.827655626,29.31755732,1.320384596,24.79102935,3.42099876,14.29379646,0.140761553,14.86163333,3.809965006,6.403330038,7.491112508,0.025183752,12.73392439,1.468669398,28.13646359,4.624153689,2.729568578,4.623781547,0.438347152,5.887290883,2.121474359,24.36751763,3.305805937,8.918457585,3.270665637,0.0671803,6.451305557,2.390166202,17.12465137,3.012038243,6.096357188,3.408215332,4.142907852,20.77505285,6.508617298,21.70950006,1.443036274,8.757444476,11.54690851,6.451430142,11.77561011,0.110838333,14.96496092,5.042547167,29.04956746,7.285013167,1.905975328,9.079430752,1.726593451,8.39719142,3.359516167,20.72660245,4.559289627,6.16683937,5.247352831,0.097589065,8.941730569,3.68346867,20.84724998,4.377522908,3.984377185,5.76023926,14.84998305,24.78313206,39.85299036,82.80667456,17.42624798,15.29970643,47.02896888,39.79667519,37.64705518,0.772951948,50.75452645,22.70227485,86.49025097,22.70415351,4.96852414,34.85188333,11.25746691,37.86793521,10.08413703,43.7086222,15.49464488,19.5172555,22.41597132,0.412109524,42.46262458,12.26332025,73.67293169,15.65936562,12.00448023,27.46379042,6.038982215,19.24897039,7.108044509,28.84237094,3.127027744,7.399667387,17.16889712,8.72572062,15.23393013,0.194384478,17.76796268,7.815959105,34.60894914,9.400749078,1.73488866,12.58884165,2.952732842,9.604295179,4.307062134,21.80060971,5.674987113,4.883063446,7.122651756,0.132573574,10.03415465,4.722601749,26.72490881,5.659711765,3.160175961,8.147450999,18.89437683,23.9946679,47.56764428,116.0223859,28.51087298,13.91435536,63.11472792,59.90823277,51.06758496,1.183434303,64.18847821,31.59542995,110.5444672,30.56670405,5.664805554,47.30137111,17.07845625,46.92988323,13.33143025,48.51854669,20.80259379,20.88804832,31.56779849,0.583460428,52.82234717,16.60121608,98.60613361,21.1887013,13.20707657,39.92399953,11.64482415,31.44908771,46.80161862,57.36505725,8.481922472,34.66611571,32.00300174,27.77084231,26.65834886,0.422215746,46.22964949,14.65805635,88.34607506,16.52420165,6.188487027,24.36274949,6.358040195,39.85205752,7.925031266,61.02744046,11.88051099,28.75236949,15.59214519,0.300296869,45.66066512,9.554046592,65.29419772,11.5867998,17.37367454,17.83847205,150.6337138,0.783860616,0.482748743,0.991661576,0.005160362,0.570154654,0.686054862,0.58426629,151.9003232,191.1724794,400.0737639,0.987492363,1.840475806,143.021375,0.28941985,0.084800454,0.997390294,0.002018332,0.513984561,0.09358542,0.01802872,143.3955953,53.54604536,200.4518049,0.996085441,0.625598701,147.1652303,0.494934342,0.247324456,0.994981601,0.003346243,0.544199999,0.273676439,0.153356664,147.9074891,109.3570963,275.278988,0.992472401,0.971233102,149.811682,0.749489282,0.455944082,0.992017902,0.004962943,0.563948798,0.627200389,0.521184742,151.0171154,180.929725,383.1412678,0.988026854,1.712333929,148.9841366,0.599240613,0.330643186,0.993797219,0.003997229,0.557735302,0.40116494,0.274086522,149.9140204,138.7360697,318.1690359,0.990695829,1.232986763,150.8734714,0.814618349,0.508201738,0.99130846,0.005352419,0.571971218,0.74083593,0.647501559,152.1962915,199.9924491,414.6489187,0.986962691,1.960308707,150.9596245,0.761764674,0.465443194,0.991936176,0.005005457,0.572624607,0.647836462,0.543127628,152.1868324,185.6133972,391.3241998,0.987904264,1.763588697 +UMLCP0017,L,CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,C10E10,95,0,-4.0104,16.08330816,146.9033,102.963166,0,0,103,41,62,0,30,0,11,0,0,0,0,0,0,0,7206.567609,7531.121428,8286.398523,8301.518562,7741.044269,7755.848596,7667.682987,7139.192454,7133.852909,17012.99775,21485.08791,27369.33216,28323.37527,28369.07402,27562.18073,25808.57314,25757.82863,24957.4923,789.629124,797.628088,1514.396052,1809.11592,1643.705108,1937.437936,1653.545436,1498.373232,1755.81806,118.3082441,149.5762109,201.8706645,223.5032467,230.9693145,219.6554407,202.297889,208.2022755,197.4250554,17308.68925,15154.96235,31141.17151,39333.52411,36522.02271,43562.4674,35846.34294,33168.64743,39341.1746,289.75,256.5,457.25,542,398.75,506.5,501.25,370,465.75,69.96667582,73.8345238,43.38428546,35.47657505,34.4046412,30.29628358,35.99851168,34.99604144,30.88248013,165.1747355,210.6381167,143.2949328,121.0400653,126.0847734,107.6647685,121.1670101,126.2638658,108.0410922,7.666302175,7.819883216,7.928775141,7.731264615,7.305356036,7.568116938,7.763124113,7.344966824,7.600943983,1.148623729,1.46643344,1.056914474,0.95514208,1.026530287,0.858029065,0.949755348,1.02059939,0.854653919,168.0455267,148.5780623,163.0427828,168.0919834,162.3201009,170.1658883,168.2926898,162.591409,170.3081151,2.813106796,2.514705882,2.393979058,2.316239316,1.772222222,1.978515625,2.353286385,1.81372549,2.016233766,1.897669362,-0.416203375,-1.169652685,0.964658284,-0.063049122,-0.840039568,0.871536626,-0.061981127,-0.748193579,3725.21417,189.5754734,-1622.943649,-274.61301,277.4200356,374.6973142,-279.0562025,212.2198567,293.7778,4728.311486,-628.7971733,-1515.862406,313.5611584,-1198.959525,943.5394801,280.8925541,-1071.676327,831.0115589,10.53761639,-0.182517433,-5.233866118,4.210450069,1.47148886,-2.995483295,3.470070886,0.980730338,-3.011598386,20.70919113,-6.265289621,-5.217562592,7.199065179,-10.11772481,2.869033695,6.44604348,-9.052683026,2.493333951,116.5357753,-40.27266937,-27.98213073,51.48526788,-62.71147098,11.68674426,45.95514096,-56.27973178,9.87188068,75.65048544,-1.488830238,-33.84701668,20.61928551,11.48680366,-16.72839099,16.95579225,8.289329814,-17.17244792,0.018423974,-0.004080425,-0.006123836,0.004122471,-2.80E-04,-0.003281405,0.004091721,-3.04E-04,-0.003238933,36.16712786,1.858583073,-8.497087169,-1.173559872,1.232977936,1.463661384,-1.310123016,1.040293415,1.271765368,45.90593675,-6.16467817,-7.936452386,1.340004951,-5.328709001,3.685701094,1.318744385,-5.253315327,3.597452636,0.102306955,-0.001789387,-0.02740244,0.017993376,0.00653995,-0.011701107,0.016291413,0.004807502,-0.013037222,0.201060108,-0.061424408,-0.027317082,0.030765236,-0.044967666,0.011207163,0.030263115,-0.044375897,0.010793653,1.131415294,-0.394830092,-0.146503302,0.220022512,-0.278717649,0.045651345,0.215751835,-0.275881038,0.042735414,0.734470732,-0.014596375,-0.177209511,0.088116605,0.051052461,-0.065345277,0.079604658,0.04063397,-0.074339601,-0.221473671,-0.332384095,0.223755809,-0.015209439,-0.178105141,0.222086786,-0.016490962,-0.175799921,0.051388738,-0.234939506,-0.032448246,0.034091121,0.040469384,-0.036224138,0.028763506,0.035163571,-0.134289345,-0.172885098,0.029190232,-0.116078864,0.080288114,0.028727099,-0.114436513,0.078365739,-0.017490371,-0.267845332,0.175876374,0.063924789,-0.114372543,0.159240519,0.046990956,-0.127432416,-0.305502711,-0.135865249,0.153015116,-0.223652848,0.05574036,0.150517749,-0.220709606,0.053683715,-0.348970085,-0.129486761,0.194466624,-0.246344247,0.040348884,0.190691991,-0.243837112,0.037771643,-0.019873324,-0.241275116,0.119972929,0.069509183,-0.088969205,0.108383704,0.055324151,-0.101215199,1.232915169,1.738268204,0.956908773,0.580369837,1.22233928,1.012372908,0.646550237,1.272524046,1.066213014,1.377349047,1.077304047,0.863320234,0.950949146,1.09339874,0.883790261,0.968884394,1.537508864,1.230413234,0.931045373,1.221378803,0.833637745,0.924929978,1.21127385,0.830361895,0.943679446,1.685899927,1.033089215,0.483073892,1.196020731,1.098111672,0.560005392,1.256951204,1.8646809,1.226061236,0.799807479,1.366221516,0.829704115,0.793860957,1.352414196,0.825241605,1.931684685,1.244561982,0.767031255,1.375287398,0.844289663,0.764214689,1.36420161,0.842272592,0.945136037,1.487725026,0.952169056,0.431457906,1.061264257,1.012811985,0.494048383,1.12212909,997.2315343,499.9907672,787.6753461,999.847388,24.38652166,499.9907672,2.75,0.074196738,0.001809677,-10.66424389,666.6500951,16.25975842,26.65928778,997.7300134,500.2359674,788.075931,1000.338183,24.39849226,500.2359674,2.74192137,0.07393313,0.001803247,-10.6788364,666.9911061,16.26807576,26.66138452,1439.253255,717.4321578,1143.633449,1435.07841,35.00191245,709.7827129,-4.388939259,0.076517195,0.001866273,-10.53798314,675.0058487,16.46355729,26.71035756,998.2531759,500.4933094,788.4963553,1000.85328,24.41105561,500.4933094,2.733442802,0.073656821,0.001796508,-10.69418797,667.3518295,16.27687389,26.66360129,1906.446773,947.2707679,1520.504795,1895.122279,46.22249461,709.7827129,-11.90523691,0.151132236,0.003686152,-7.74736038,712.9384642,17.38874303,26.93451996,1049.431629,525.6680523,829.6401954,1051.243203,25.64007813,525.6680523,1.904476045,0.048263205,0.001177151,-12.42745186,719.7301099,17.55439292,26.97339281,796.7698605,400.6059762,625.7885688,800.9030093,19.53421974,400.6059762,6.333333333,0.230093108,0.005612027,-6.02401207,1974.980733,48.17026179,31.11208708,0,11.99611374,16.00542225,-0.418441447,0.097261432,3.719657436,7.507327516,40,102,102,102,40,0,0,0,0,0,86.938834,3.531085115,3.496636266,3.474006803,3.440978038,3.401264607,3.354646324,3.296866283,3.228115764,1.930675442,1.811995277,1.738756408,1.722977907,1.698184408,1.666853802,1.634118847,1.601810828,3.546213057,3.400249992,3.380033206,3.356280145,3.320071016,3.272680879,3.216492319,3.15673316,1.874480831,1.77572111,1.766499283,1.74731999,1.717500072,1.678166869,1.631572586,1.582194348,3.676928374,3.613816164,3.595122924,3.568731172,3.536465208,3.493548909,3.439074519,3.376608133,1.693932455,1.554483194,1.50865249,1.488340752,1.456550849,1.415217142,1.367741971,1.320717967,3.565533204,3.411096801,3.359240341,3.337483766,3.30330299,3.25865998,3.206950157,3.155045114,1.840575281,1.786297474,1.769275481,1.745469778,1.716384823,1.67750733,1.628412958,1.572764994,3.733365414,3.637860821,3.624603253,3.604301164,3.572762472,3.529650366,3.477349526,3.419956676,1.639000826,1.500478702,1.476724501,1.454411347,1.420226391,1.375636058,1.323219114,1.268549564,4.582339371,3.873194463,3.849921359,3.811706583,3.759501868,3.695157927,3.626318481,3.586291088,1.762689784,1.606250054,1.470649017,1.454696013,1.429790285,1.399549921,1.370156406,1.336933727,0,0,0,0,0,22,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,29.57716447,20.41421356,14.08147545,9.707106781,6.687184335,4.603553391,3.166815472,2.176776695,0.721394255,0.510355339,0.361063473,0.255450178,0.180734712,0.127876483,0.090480442,0.064022844,26.03579315,15.79683724,9.322204889,5.725929397,3.483838242,2.063926593,1.257767684,0.756434436,0.635019345,0.394920931,0.239030895,0.150682353,0.09415779,0.057331294,0.03593622,0.022248072,54.65945207,103.1602331,98.32941176,99.96,60.03782395,796.8329437,0.530674292,1.001555661,0.954654483,0.970485437,0.582891495,7.736242172,3.2854,157.8858,583.5950469,924.4035819,1167.190094,28.46805107,583.5950469,1.58E-15,3.86E-17,-139.728179,2000383.299,48789.83657,59.48628242,2400,1,0,11,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,30,0,0,0,0,0,0,0,0,0,0,0,1,0,29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.690645018,0,62.8691583,0,0,3.510315463,0,0,3.675300262,0,0,3.730470605,0,0.690645018,0,0,0,0,0,0,0,0,0,0,0,0,0,16.30462685,0,0,0,0,0,0,0,0,0,0,0,2.255000784,0,21.37584092,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.57050964,0,54.29864866,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.690645018,0,5.082662399,0,0,3.510315463,0,0,3.675300262,0,0,3.730470605,0,0.690645018,0,0,0,0,0,0,0,0,0,0,0,0,0,0.226965715,0,0,0,0,0,0,0,0,0,0,0,2.255000784,0,0.030294671,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.57050964,0,5.082662399,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.690645018,0,8.57050964,0,0,3.510315463,0,0,3.675300262,0,0,3.730470605,0,0.690645018,0,0,0,0,0,0,0,0,0,0,0,0,0,0.685075168,0,0,0,0,0,0,0,0,0,0,0,2.255000784,0,1.383027036,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.57050964,0,5.612744371,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,86.5,2.109756098,0.690645018,8.57050964,-0.05973903,0.030294671,11.27731566,1.469705329,2.57050964,44.24831817,1.469705329,2.57050964,44.24831817,18.66663,0.45528,0,0.04472,0.5411,0.90569,0.4312,0.5411,0.89127,0.1099,0,-0.1099,0.01442,0.50269,0.2116,0,0.04464,0,0,25.25,0.61585,25.25,0.61585,0,0,-25.25,-0.61585,0,0,50.76869,1.23826,69.48451,18.71581,0.45648,15.03877,0.3668,20.41421,5.37544,0.13111,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,40.11,11,11,11,11,1,1,1,1.303775897,1.723074077,2.563472392,3.106076663,3.444086,3.684281304,134.2889174,177.4766299,264.0376563,319.9258962,354.740858,379.4809743,0.194986285,0.25769445,0.383380272,0.464529487,0.515080495,0.551002918,5.38272463,4.963426451,4.123028136,3.580423865,3.242414527,3.002219223,0.1953976,0.258238045,0.384188996,0.465509392,0.516167034,0.552165235,12.17671188,16.60764869,19.59097564,22.01142458,23.9520618,24.9317363,150.9579975,127.0890775,117.8340757,104.587836,94.57574233,88.04698067,41,40,40,41,0,10,3.55,4.9813,0,2.121952967,0,0,0,0,0,0,0,0,0,0.736041738,5.053198552,0,0,0,0,0,0,0.259,2.495,2.635,2.232,0.374,19.122,39,38,37,36,35,34,33,32,31,396,3.713572067,3.688879454,3.663561646,3.63758616,3.610917913,3.583518938,3.555348061,3.526360525,3.496507561,3.465735903,5.983936281,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,38,0.95,40,1,2,20,40,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.0125,0.005698006,0.003289474,0.002162162,0.00154321,0.001166181,9.19E-04,7.48E-04,6.25E-04,5.33E-04,0.036969765,583.5950469,924.4035819,1167.190094,28.46805107,583.5950469,1.58E-15,3.86E-17,-139.728179,2000383.299,48789.83657,59.48628242,112.53,624.1284912,6.357552005,5.068904202,5.746203191,6.428105273,7.110696123,7.795234929,8.479906607,9.165656764,9.851404473,10.5378662,151.1839778,4.394449155,0,5.468060141,0,6.65544035,0,7.895436007,0,9.165447603,9.501366846,598.4292128,5.809992357,80.82842712,1.971425052,32.32987601,32.32987601,0,11480,38,2.365,158,1.24116865,2.121878351,2.864670925,3.719171758,4.871735871,5.994619058,7.237107318,8.193664223,9.568060862,10.7095562,105.2093033,101.6316421,123.5193224,159.3527573,175.9807396,251.2890759,286.7916896,288.5594386,386.550151,419.4494227,284.532711,323.3194299,385.1604788,540.0655142,581.4197968,801.3845959,980.6907255,961.4525337,1231.611887,1431.07705,9.830653957,16.92090575,22.32483434,27.61088175,37.24959065,47.14330974,53.59594753,62.90515263,75.18030285,79.72195164,1.916712259,2.34037085,2.930910612,4.201309438,4.459514307,6.097659434,7.713613275,7.386533764,9.393234851,11.23663377,182.9721213,343.0361952,477.7056866,591.0599067,820.7736287,997.6248898,1167.20889,1383.19804,1602.934234,1732.778574,3.295041431,5.226085475,7.042025358,7.191833944,10.16022649,15.06439659,13.73299585,17.32335996,23.84293843,20.7678548,0.459101586,0.588783657,0.709000194,0.982809877,1.117275196,1.492840539,1.817847352,1.8654112,2.322142843,2.671876938,1280.562711,5920.620176,68.59712359,231.0681485,-1068.332484,-63.58641434,1049.494563,6988.95266,132.1835379,0.847139831,3.916710312,0.045379547,0.152860169,-0.706741647,-0.042064777,1935.738112,8949.792166,103.6935289,349.2897439,-1614.924351,-96.11918617,0.045384356,0.08508265,1.72486325,3.116051648,1318.757115,192.8737449,0.872406849,0.127593151,3176.971693,56.36463157,14.70069211,3802.796337,61.66681715,15.60873434,5795.813945,76.1302433,17.96269428,7.269754281,7.269754281,119603.4767,119484.2432,215.2854664,1.000997901,555.5575985,555.0037596,12.3582895,24.99685071,48.9185904,0.956990141,24.94342588,29.99172575,32.41290892,96.66875048,53.55796627,3.469735923,84.83511983,34.94294131,65.74364374,0.268376264,32.28987006,38.79259766,17.2431695,31.89938075,0.001851554,87.32169622,15.9409516,93.63055208,16.93023526,0.243458579,60.45116822,4.293252218,78.60194197,4.487594849,15.38346487,21.5224551,0.641075066,26.95382549,0.628323144,73.00322507,2.118746959,33.83245983,3.390468765,20.25167746,0.379099212,4.010559118,7.616909859,0.368271048,9.802466168,0.001891235,34.21857192,1.872765896,7.754309322,5.426432857,4.06E-04,14.12674469,0.590621481,34.43487069,2.944057601,0.321951621,4.668881784,0.08987009,13.08556749,0.532522206,13.25245159,3.720329183,0.081483428,4.286911663,0.018034118,24.93804558,6.687041965,26.65343755,6.852868494,23.47359983,3.935667189,2.063321767,22.95898822,2.640454176,16.53328162,0.019699963,23.26641706,6.776717101,6.264811081,8.549884311,3.28E-04,23.32472627,2.360817405,32.73134829,4.633423324,0.190785485,9.444928465,0.463822067,19.60315806,0.799087077,10.40195371,5.38417085,0.101410407,6.33316901,0.074900381,26.24369938,23.82926602,33.83605675,38.2397507,92.93419255,47.72054184,4.703421638,80.71518011,31.17569245,65.00596755,0.239119133,38.6973973,35.68301476,17.5724599,30.1899289,0.001779597,93.21526158,14.52565439,100.5616341,16.20695915,0.323586464,55.87055929,3.867085054,79.92916702,4.697237192,17.53829569,20.84700209,0.592837099,25.92244121,0.56775176,80.17864779,9.770040272,23.92660769,7.812009873,29.06348378,8.544159705,1.701013927,33.42393866,5.623249441,21.48537582,0.0427884,19.2224947,10.90393798,6.748728895,11.22184906,3.92E-04,28.53309747,3.979054144,34.27258009,6.031283248,0.161846426,14.53915325,0.863654334,24.6028352,1.009969828,9.415650098,6.954955607,0.147568461,8.354853108,0.133861288,27.75222949,30.35345511,32.43770541,45.38659725,131.1710498,78.10317826,4.408472051,103.2507232,50.91503069,87.35486229,0.391398178,37.80297601,51.68716523,22.87397412,41.82021925,0.002625489,115.2282784,21.75510644,121.7081813,22.08077602,0.292162691,83.94774172,6.075040327,104.8462465,6.320138926,17.94258877,28.57520511,0.907546255,35.97606465,0.88268361,94.61452651,18.31821172,45.72082237,44.02372351,70.17991146,23.2891568,10.62353824,57.18224867,15.36913479,52.07882598,0.116674347,57.11297032,21.81139248,19.68907058,21.36814172,0.001352598,90.66401908,8.432169956,105.9320444,12.22458779,0.698489716,33.94176016,2.092363356,70.3397278,4.333053164,22.72373589,15.78847702,0.395225272,18.96705045,0.311657753,87.90320178,213.573606,0.776278553,0.462341628,0.99423394,0.003613754,0.570167427,0.70547811,0.589481151,214.8122262,264.8954842,556.3605354,0.99135091,1.865126689,201.8588855,0.279458039,0.080255875,0.998221163,0.00138196,0.509335842,0.09157285,0.017808556,202.2185994,72.63387799,279.3797987,0.997331745,0.618717248,208.7861395,0.487420198,0.236128521,0.996546467,0.00232648,0.544892837,0.278420868,0.154062847,209.5096882,151.1820375,384.7217181,0.9948197,0.977376552,212.1147485,0.740088632,0.435753476,0.994487136,0.003469861,0.562404814,0.641283346,0.523760716,213.2905906,249.7359491,531.4327387,0.991730703,1.727448875,211.7360856,0.593482233,0.316776507,0.995719377,0.002790936,0.560398881,0.41264714,0.277103807,212.6463444,192.9226237,445.3756124,0.993579066,1.250149829,213.8032888,0.806578975,0.486621067,0.993987814,0.003749847,0.571394415,0.761519843,0.652855986,215.0964888,276.8829204,575.8968412,0.990981721,1.985770244,213.7408576,0.753365091,0.445418184,0.994422698,0.003505008,0.571060885,0.664431603,0.547216642,214.9396409,256.5645278,543.2275875,0.991634047,1.782709129 +UMLCP0018,L,CCCCCCCCCCCOCCOCCOCCOCCO,C11E4,10.5,0,-3.513,12.341169,83.5539,64.12172,0,0,64,24,40,0,19,0,5,0,0,0,0,0,0,0,4061.500864,4237.477019,4618.743778,4529.294377,4160.722644,4054.663739,3895.458802,3558.870829,3432.668052,10372.1248,13210.54381,17014.01298,17481.61034,16948.64948,16181.09798,14966.80821,14337.40409,13576.40955,478.766944,482.930996,912.723088,1142.029996,1038.050832,1114.05566,986.459512,892.718956,932.435784,73.98963619,95.06165608,131.8580247,144.9685468,143.0645268,134.970575,123.7631891,120.2974878,112.7401897,10733.05528,9312.174578,19126.11203,25620.85185,23612.18585,25445.12539,22133.67067,20258.81057,21223.83259,169.5,149.25,258,309.75,238.5,274.25,269,209.75,233.5,63.460951,67.26153998,38.81297292,29.60323122,28.89390725,26.85207774,29.51105153,28.93390918,27.24339724,162.0644499,209.6911716,142.974899,114.2588911,117.6989547,107.1595893,113.3849107,116.5642609,107.7492821,7.4807335,7.665571365,7.669941916,7.46424834,7.208686333,7.377852053,7.473178121,7.257877691,7.400284,1.156088066,1.508915176,1.108050628,0.947506842,0.993503658,0.893844868,0.937599917,0.978028356,0.89476341,167.7039887,147.8122949,160.7236305,167.456548,163.9735128,168.5107642,167.6793233,164.705777,168.4431158,2.6484375,2.369047619,2.168067227,2.024509804,1.65625,1.816225166,2.037878788,1.705284553,1.853174603,0.911316257,-0.227047234,-0.494351903,0.404221774,-0.056017167,-0.286633992,0.31111319,-0.054848557,-0.194514447,2163.548074,43.92903903,-935.3302614,-30.24804918,140.0789861,122.108501,-32.44615923,82.99502901,57.04225355,2985.295474,-297.3440874,-1147.574958,138.4472068,-396.8586317,269.4734625,105.4818095,-274.0439443,164.1216347,5.02995375,-0.025553973,-1.782111504,2.173991816,0.552022813,-0.795525629,1.458408641,0.193510637,-0.752886695,13.12678005,-2.627492051,-4.276351869,2.820746592,-3.611177503,0.765520195,2.068657789,-2.539111792,0.386437515,73.17240799,-16.5938837,-22.49662828,20.29867751,-22.6200863,2.977384142,14.7895591,-16.03826749,1.108447338,45.734375,-1.480712891,-13.88891602,13.22094727,5.22265625,-5.287353516,9.735351563,2.612060547,-5.383300781,0.014239317,-0.003603924,-0.004154218,0.002641972,-3.89E-04,-0.001898238,0.002356918,-4.46E-04,-0.001543765,33.80543865,0.697286334,-7.859918163,-0.197699668,0.972770737,0.80866557,-0.245804237,0.674756333,0.452716298,46.64524178,-4.719747419,-9.643487041,0.904883705,-2.75596272,1.784592467,0.799104618,-2.227999547,1.302552656,0.078593027,-4.06E-04,-0.014975727,0.014209097,0.003833492,-0.005268382,0.01104855,0.001573257,-0.005975291,0.205105938,-0.041706223,-0.03593573,0.018436252,-0.025077622,0.00506967,0.01567165,-0.020643185,0.003066964,1.143318875,-0.263394979,-0.189047296,0.132671095,-0.157083933,0.019717776,0.112042114,-0.130392419,0.008797201,0.714599609,-0.023503379,-0.11671358,0.08641142,0.036268446,-0.035015586,0.073752663,0.021236265,-0.042724609,-0.253096723,-0.291742772,0.185540674,-0.027319296,-0.133309654,0.165521857,-0.031316336,-0.108415699,0.020626454,-0.232504546,-0.005848162,0.028775569,0.023921168,-0.007271145,0.019959993,0.013391818,-0.101183899,-0.206741067,0.019399271,-0.059083469,0.038258832,0.017131536,-0.047764776,0.027924663,-0.005161,-0.190547781,0.180793352,0.048776487,-0.067033703,0.140579269,0.020017771,-0.076028261,-0.20333991,-0.175205702,0.089886487,-0.122266677,0.024717325,0.076407587,-0.100646454,0.014953075,-0.230377531,-0.165349581,0.116040326,-0.137392932,0.017246086,0.097997258,-0.114047289,0.007694442,-0.032890277,-0.163327237,0.120922848,0.050753521,-0.049000287,0.103208373,0.029717711,-0.059788179,1.259507699,1.582596533,0.862888802,0.596376382,1.084608137,0.919471082,0.711869854,1.106057569,1.176179487,1.371534737,1.008559416,0.876670459,0.942622488,1.014364113,0.905699693,0.963963156,1.53643995,1.318475348,0.944370584,1.1108039,0.899140392,0.940055437,1.080061119,0.90985581,0.941653191,1.531250567,0.917118946,0.501032738,1.071134102,0.986121321,0.644955104,1.121140329,1.754034267,1.320475999,0.869362756,1.191501961,0.900133834,0.874333421,1.145324858,0.910347413,1.798771231,1.328075537,0.846290686,1.195274877,0.906092409,0.856421335,1.150287813,0.917451734,0.978476256,1.26465564,0.790048032,0.406559617,0.912264665,0.860949778,0.506770438,0.992142125,357.5763054,179.4131527,283.6920309,358.7221388,14.94675578,179.4131527,1.25,0.123322979,0.005138457,-5.02307645,308.1350568,12.8389607,13.75329164,357.6987457,179.4725368,283.7872086,358.8412129,14.9517172,179.4725368,1.246327895,0.122913952,0.005121415,-5.031049791,309.2721325,12.88633886,13.76213179,466.724954,232.3649908,370.6698512,464.8962293,19.37067622,232.3649908,-1.99497239,0.143889206,0.005995384,-4.652908033,397.2595312,16.55248047,14.36301552,357.8272507,179.5348624,283.8871088,358.9661852,14.95692438,179.5348624,1.242474001,0.122484995,0.005103541,-5.039440186,310.4979571,12.93741488,13.77162557,582.956298,288.7724133,465.7455769,577.9957826,24.08315761,288.7724133,-5.411471322,0.298199315,0.012424971,-2.903983617,370.6653013,15.44438755,14.19671881,370.4074634,185.6365672,293.7051955,371.2009951,15.46670813,185.6365672,0.865670929,0.082089901,0.003420413,-5.999856676,346.3726123,14.43219218,14.03403626,313.7276637,157.9199398,250.5260877,315.5963542,13.14984809,157.9199398,2.922305764,0.329570565,0.013732107,-2.663915498,217.9024731,9.079269713,12.92171422,0,11.99615712,16.00000334,-0.418378042,0.092897367,3.719718165,7.546644722,23,63,63,63,23,0,0,0,0,0,51.39228,3.535991402,3.473597229,3.416659627,3.333778324,3.218042387,3.10094201,2.94978433,2.805515233,1.936556196,1.833419801,1.722436948,1.681215845,1.630915974,1.542159768,1.455683344,1.408871821,3.55396455,3.423807525,3.35123444,3.265426511,3.181147391,3.072653405,2.926059868,2.83412829,1.879949797,1.785695625,1.743484112,1.672060643,1.600000383,1.515013903,1.400896542,1.329552779,3.682565582,3.600059923,3.559319195,3.479253686,3.378378864,3.279240066,3.141176994,3.031744036,1.701072662,1.579169553,1.485074422,1.416320286,1.352353966,1.249191208,1.126895699,1.059214187,3.573516595,3.4388943,3.333772199,3.258943885,3.188972672,3.07662974,2.940288856,2.863462392,1.845350705,1.773817197,1.737380816,1.666063598,1.577577391,1.490161293,1.368956233,1.278027766,3.739421798,3.639439117,3.600001912,3.519616718,3.432344442,3.339103827,3.208201012,3.118930818,1.646245724,1.523375858,1.449968261,1.370666871,1.294682102,1.191424933,1.056631772,0.975829949,4.561228344,3.834711164,3.730169793,3.610949757,3.553173159,3.435760539,3.316876606,3.166747582,1.776863862,1.642617235,1.464419229,1.434920306,1.368236152,1.271993581,1.186901193,1.150622662,0,0,0,0,0,10,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.55634919,11.91421356,8.071067812,5.457106781,3.681980515,2.478553391,1.664213562,1.114276695,0.731514549,0.518009285,0.366866719,0.259862228,0.184099026,0.130450178,0.092456309,0.065545688,15.80812882,9.832735624,6.001523665,3.743878589,2.341135721,1.438926593,0.890540568,0.549596869,0.658672034,0.427510245,0.27279653,0.178279933,0.117056786,0.075732979,0.049474476,0.032329228,33.4105516,63.41005098,60.25490196,61.2,37.37228743,494.595012,0.522039869,0.990782047,0.941482843,0.95625,0.583941991,7.728047062,3.5759,97.5888,199.7089457,316.5977588,399.4178913,16.64241214,199.7089457,1.28E-15,5.32E-17,-82.30668848,234.1002276,9.754176149,13.09379843,794,1,0,5,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,19,0,0,0,0,0,0,0,0,0,0,0,1,0,18,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.694701919,0,29.8953071,0,0,3.52622618,0,0,3.696636846,0,0,3.766936044,0,0.694701919,0,0,0,0,0,0,0,0,0,0,0,0,0,8.120650697,0,0,0,0,0,0,0,0,0,0,0,2.260763437,0,16.84392946,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.520036615,0,21.37527048,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.694701919,0,5.075883744,0,0,3.52622618,0,0,3.696636846,0,0,3.766936044,0,0.694701919,0,0,0,0,0,0,0,0,0,0,0,0,0,0.218478993,0,0,0,0,0,0,0,0,0,0,0,2.260763437,0,0.057696796,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.520036615,0,5.075883744,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.694701919,0,8.520036615,0,0,3.52622618,0,0,3.696636846,0,0,3.766936044,0,0.694701919,0,0,0,0,0,0,0,0,0,0,0,0,0,0.644513889,0,0,0,0,0,0,0,0,0,0,0,2.260763437,0,1.404903943,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.520036615,0,5.555825106,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,49,2.041666667,0.694701919,8.520036615,-0.037045114,0.057696796,9.095423806,1.442303204,2.520036615,20.31214107,1.442303204,2.520036615,20.31214107,11.16665,0.46528,0,0.03472,0.5099,0.85972,0.42973,0.5099,0.83733,0.08017,0,-0.08017,0.02239,0.54119,0.1731,0,0.07463,0,0,13.75,0.57292,13.75,0.57292,0,0,-13.75,-0.57292,0,0,27.72907,1.15538,34.86202,7.13296,0.29721,9.56108,0.39838,11.91421,2.35313,0.09805,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,23.05,5,5,5,5,1,1,1,1.231290828,1.762666616,2.84101318,3.60570112,4.078626767,4.419758939,78.80261297,112.8106634,181.8248435,230.7648717,261.0321131,282.8645721,0.205215138,0.293777769,0.473502197,0.600950187,0.679771128,0.73662649,4.768709172,4.237333384,3.15898682,2.39429888,1.921373233,1.580241061,0.205995176,0.29489444,0.475302013,0.603234442,0.682354987,0.739426461,11.26499798,16.70810411,20.84447555,24.12411896,26.61988816,27.9319737,87.74247555,69.37087693,60.13905066,47.25771553,38.34467537,33.36875272,24,23,23.04761905,24,0,11,3,3.0792,0,2.228189476,0,0,25.74998135,0,0,0,0,0,0,0.602401336,1.321802152,0,0,0,0,0,0,0.259,1.229,1.279,1.122,0.29,11.473,22,21,20,19,18,17,16,15,14,209,3.17805383,3.135494216,3.091042453,3.044522438,2.995732274,2.944438979,2.890371758,2.833213344,2.772588722,2.708050201,5.347107531,1,0.47826087,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21,0.913043478,23,1,1,12,23,0.916666667,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.02173913,0.01010101,0.005952381,0.004,0.002923977,0.002267574,0.001838235,0.00154321,0.001333333,0.001180638,0.065690449,199.7089457,316.5977588,399.4178913,16.64241214,199.7089457,1.28E-15,5.32E-17,-82.30668848,234.1002276,9.754176149,13.09379843,57.15,381.1313001,5.584962501,4.510859507,5.176149733,5.84932478,6.523562306,7.201170883,7.878912912,8.558527055,9.238052811,9.918819417,111.8553794,3.850147602,0,4.905274778,0,6.079933195,0,7.309881486,0,8.571113033,8.910720662,348.2875744,5.44199335,46.82842717,1.951184465,14.33022331,14.33022331,0,2300,21,4.074,90,1.24268254,2.12966918,2.849175913,3.622244986,4.848764624,5.913237299,7.151766039,8.176494542,9.482545526,10.58616228,95.89601264,90.46269988,102.087481,132.4822623,154.7447962,204.4231034,235.2564303,252.996936,308.0308907,338.1765006,284.2491648,322.3670734,359.2098647,498.1844837,575.1086084,742.5294225,899.0930415,954.9612171,1129.609473,1291.78693,9.607354332,16.39048263,21.39466301,26.47248615,36.03065473,44.65284959,52.23288634,60.94273526,71.36497183,78.00595243,1.987366464,2.45981085,2.872884841,4.016888825,4.635297429,5.95487485,7.351110013,7.72984711,9.122462164,10.53488137,181.8957047,339.3250227,473.8490243,580.2577821,808.212439,979.3347259,1167.535663,1363.965366,1582.64437,1741.617034,3.064297619,4.714297303,6.064912789,6.5111446,9.195203708,12.79346468,12.67608524,15.76064079,20.15004446,19.40373645,0.45493439,0.583952789,0.6692721,0.91359679,1.099716033,1.399852528,1.690390371,1.843578131,2.16662182,2.459243682,866.511075,2097.675501,38.73760715,258.1202065,-624.8649889,-45.63445303,608.3908686,2722.540489,84.37206017,0.770484593,1.865211768,0.034444718,0.229515407,-0.555617649,-0.040577257,974.5054607,2359.111486,43.56552477,290.2900586,-702.7427132,-51.32193339,0.086677891,0.162496185,1.539746467,6.196499473,1012.374404,112.2568777,0.900183394,0.099816606,1748.261058,41.81221183,12.04671848,2144.086397,46.30428055,12.89478466,3093.630423,55.62041372,14.57100397,5.769068862,5.769068862,24082.79652,24011.18921,134.9043519,1.002982247,178.5175659,177.9867653,8.780286068,14.1866562,28.10743952,0.981258947,11.59145976,16.72413126,19.45084281,68.52602413,19.37571436,5.954291496,29.36819114,23.88602746,38.07309224,0.883558076,24.05110693,28.61362059,39.29632707,29.90352395,3.250668547,20.94016565,14.24564487,22.40707407,17.37620365,15.65595706,14.96325595,7.432161026,18.96700783,3.163588771,17.45955004,15.71937399,15.68781135,16.0407054,2.709802203,16.27900792,0.992696903,17.86703877,1.94944555,12.34941547,0.139633816,7.46169814,2.53840538,3.10918801,8.183808041,0.025034997,6.89614139,1.778260101,12.45006799,5.773773214,1.137829231,3.708529854,0.498545163,4.078916574,3.232431873,8.470469996,3.305280487,2.5223006,3.141846442,0.891754122,3.882065016,3.262829232,4.19622239,3.060262614,0.719077322,3.22636565,3.085094783,15.74094931,3.904531325,17.3659405,1.430188331,4.420799222,7.054964561,3.546168694,11.94804393,0.112733771,7.779271292,6.055235534,12.9389473,9.172087683,1.041676552,5.874201177,2.03088469,5.92804657,5.349291445,7.395274494,4.497124296,2.056366827,4.794602929,1.282429446,5.34241469,4.556850116,4.60859797,4.436966653,0.61243405,4.642158783,11.16435082,17.86306207,22.83985776,64.06054469,17.26563696,7.908578424,28.07622875,22.36038302,36.12177757,0.800030009,24.51299345,26.59372622,39.14714228,28.28554422,3.319738511,20.3285949,12.95506794,23.17751129,16.44569429,16.63552477,14.67292077,8.22538813,18.01080296,3.10788139,18.1738158,15.26237668,15.58094564,15.45651548,2.786668327,15.64841677,4.47996082,14.93304333,4.450888149,22.60137399,3.098765961,3.742685934,10.2655178,5.015242744,15.06188557,0.198929898,8.986316601,9.33565945,15.47008641,11.86680923,1.148729974,7.598503714,3.460592059,7.226948526,6.984661818,7.920087243,5.532900596,2.006720478,6.351102579,1.548462997,6.327270147,5.720932171,5.613439837,5.705676081,0.666253288,5.926290867,14.17899657,17.44576997,27.48169599,91.62826204,28.24737131,7.270150961,37.27022883,33.77225054,48.95376708,1.227989967,30.79593458,36.76361065,50.24477482,38.0397185,4.149320682,27.03980021,19.54202212,29.86090632,21.92208458,19.01548283,19.45371585,10.23167401,24.89963511,3.812065184,22.77532006,20.39005748,20.36434637,20.7538187,3.774060624,21.04057463,9.022880349,21.50927879,26.52591355,42.4792846,8.326241048,18.60323493,19.68090693,15.14699539,25.57841139,0.431172927,22.93648286,17.07153341,41.02512967,20.10140934,3.375978776,15.16118662,7.289819398,21.83579387,12.03494913,24.09794462,11.37750847,10.52053632,12.52499986,3.079549246,18.43384663,11.92621927,16.64381541,11.44206833,3.721488383,11.46223488,71.24757325,0.792314466,0.490668659,0.982311136,0.010923871,0.560073088,0.689316173,0.59374538,72.53055637,91.79819803,192.0272372,0.973466704,1.843134641,70.3613695,0.296439717,0.090823061,0.994526215,0.004190042,0.54625253,0.096643299,0.020343041,70.74863228,27.27526298,99.91827398,0.991789323,0.66323887,69.73914778,0.502701371,0.254633734,0.989257122,0.007130872,0.536626644,0.277955254,0.159902584,70.49648288,52.94390951,132.367333,0.983885683,0.974484482,71.48931818,0.762639499,0.467460215,0.983084302,0.010487426,0.563880376,0.638671731,0.538905872,72.71941789,88.29549346,186.5011124,0.974626453,1.741457978,69.72137182,0.603624411,0.335500501,0.986709336,0.008542601,0.536348352,0.400725139,0.277593922,70.66049674,65.67959345,150.4598039,0.980064004,1.214667413,71.53846356,0.824197604,0.51700087,0.981597082,0.011309021,0.564653984,0.745553624,0.659183238,72.87966204,96.37338906,199.7363687,0.972395622,1.969390846,71.87647819,0.771871698,0.474795362,0.982951129,0.010555778,0.570002927,0.653973553,0.555951035,73.12314525,89.97251888,189.4370351,0.974426694,1.779927515 +UMLCP0019,L,CCCCCCCCCCCOCCOCCOCCOCCOCCO,C11E5,37,0,-3.6439,13.27800721,94.5974,71.110892,0,0,71,27,44,0,21,0,6,0,0,0,0,0,0,0,4610.061363,4814.49747,5262.304325,5190.791196,4790.235703,4704.32067,4556.955621,4188.383888,4082.324983,11559.88435,14698.46618,18892.15736,19456.37089,19019.8533,18245.74483,16941.56876,16408.6079,15641.0564,534.073548,539.009808,1020.1235,1263.6918,1149.474028,1261.766856,1108.121316,1004.142152,1080.14698,81.98909181,104.9834133,144.8080797,159.5612516,159.2189129,150.5883074,138.3558939,136.4518739,128.3579221,11911.76588,10358.14578,21282.65564,28152.78975,26010.31785,28711.17492,24665.60857,22656.94257,24489.88212,190.25,168,292.75,350.5,267.25,315,309.75,238.5,274.25,64.93044173,68.77853529,39.86594186,30.89756664,30.12726857,27.67247453,30.9996981,30.35060788,28.1539654,162.8152726,209.9780883,143.1224042,115.8117315,119.6217188,107.3279107,115.2487671,118.9029558,107.8693544,7.522162648,7.700140114,7.728208333,7.521975,7.229396403,7.422157976,7.538240245,7.276392406,7.449289517,1.154775941,1.499763047,1.097030907,0.949769355,1.001376811,0.885813573,0.941196557,0.988781695,0.885227049,167.7713504,147.9735112,161.2322397,167.5761295,163.5869047,168.8892642,167.7932556,164.1807433,168.8957387,2.679577465,2.4,2.21780303,2.086309524,1.68081761,1.852941176,2.107142857,1.72826087,1.89137931,1.07641558,-0.258573258,-0.607255603,0.497627859,-0.057189152,-0.378868092,0.404519276,-0.056020542,-0.286748549,2439.403603,69.20222833,-1053.521644,-60.68041591,169.9765863,166.236151,-62.88903534,111.5490747,98.16474191,3301.244221,-352.7836365,-1223.388779,169.8745451,-526.2579638,379.6890051,137.0982134,-402.2731066,272.7914876,5.965448789,-0.038281228,-2.298661241,2.583934134,0.715306177,-1.11213879,1.866000733,0.330442523,-1.078827977,14.50272718,-3.232183082,-4.481619717,3.552312397,-4.699696083,1.121992678,2.800103105,-3.628587558,0.743383814,81.01353426,-20.52070467,-23.61605098,25.52551675,-29.36124377,4.512583925,20.01287942,-22.8083879,2.655047786,50.80985915,-1.432255505,-16.98100575,14.77385439,6.341301329,-6.98839516,11.25986907,3.616048403,-7.146895457,0.015160783,-0.003693904,-0.004600421,0.002962071,-3.60E-04,-0.002228636,0.002751832,-4.06E-04,-0.001977576,34.35779723,0.988603262,-7.981224578,-0.361192952,1.069035134,0.977859711,-0.427816567,0.808326628,0.67699822,46.49639748,-5.039766235,-9.268096808,1.011158007,-3.309798515,2.233464736,0.932640908,-2.915022512,1.881320604,0.084020405,-5.47E-04,-0.0174141,0.01538056,0.004498781,-0.006541993,0.012693883,0.002394511,-0.007440193,0.204263763,-0.046174044,-0.033951665,0.021144717,-0.029557837,0.006599957,0.01904832,-0.026294113,0.005126785,1.141035694,-0.293152924,-0.178909477,0.1519376,-0.18466191,0.026544611,0.136142037,-0.165278173,0.018310674,0.715631819,-0.020460793,-0.128643983,0.087939609,0.039882398,-0.041108207,0.076597749,0.026203249,-0.049288934,-0.243648611,-0.303442196,0.195377153,-0.023724382,-0.14700005,0.181509876,-0.026776055,-0.130440243,0.028773767,-0.23229733,-0.010512692,0.031114775,0.028461071,-0.012451804,0.02352673,0.019704355,-0.108390467,-0.199329353,0.021747018,-0.071183978,0.048035221,0.020058348,-0.062693513,0.040461642,-0.006508832,-0.20726037,0.18305744,0.05354391,-0.077861953,0.151080948,0.028499161,-0.088552214,-0.226051079,-0.16621482,0.103516729,-0.144704262,0.032310953,0.093253547,-0.128726272,0.025098847,-0.256918276,-0.156795688,0.133157622,-0.161837102,0.023263612,0.119314442,-0.144849258,0.016047416,-0.028591229,-0.179762805,0.122883873,0.055730331,-0.057443235,0.107035136,0.036615545,-0.06887471,1.251852127,1.626656173,0.885611687,0.589874494,1.127186461,0.943964051,0.691102108,1.163151915,1.148951745,1.372288033,1.023285845,0.872691815,0.944522726,1.0326207,0.899523438,0.965487631,1.53621798,1.298967581,0.942048751,1.13549629,0.883732629,0.93718007,1.110915423,0.889692227,0.94014184,1.571324081,0.943368532,0.492964962,1.107235308,1.013439419,0.616730838,1.165829146,1.778361702,1.299695602,0.855129584,1.230318132,0.883662178,0.856877933,1.193800242,0.888864282,1.828252948,1.309517987,0.829718303,1.235421111,0.89152706,0.836048704,1.200640874,0.898364317,0.969300069,1.317672568,0.826201201,0.411572676,0.948171701,0.895026895,0.501657176,1.023762755,447.4889083,224.4944541,354.3187912,448.8777971,16.6251036,224.4944541,1.5,0.120871494,0.004476722,-5.705173788,283.9051048,10.51500388,15.25132812,447.6594076,224.5775006,354.4535915,449.0442164,16.63126727,224.5775006,1.495593475,0.120460918,0.004461515,-5.714360761,283.8402313,10.51260116,15.25071109,599.2976472,298.4518402,476.4803056,597.0810113,22.11411153,298.4518402,-2.393966868,0.134714313,0.004989419,-5.412417149,269.7473201,9.990641485,15.11321131,447.8383518,224.6646603,354.5950769,449.2188785,16.63773624,224.6646603,1.490968801,0.12003041,0.004445571,-5.724027414,283.7741948,10.51015536,15.25008285,760.6567611,377.0814978,608.5853898,754.6440152,27.94977834,377.0814978,-6.493765586,0.273737254,0.010138417,-3.498083709,319.3710343,11.82855682,15.56915457,465.353636,233.1962205,368.4842039,466.3154925,17.27094417,233.1962205,1.038805115,0.079820127,0.002956301,-6.825544882,286.7385015,10.6199445,15.27814077,384.0173839,193.2603975,304.8689945,386.2622916,14.3060108,193.2603975,3.489795918,0.337942297,0.012516381,-2.929176314,454.4481654,16.83141353,16.52152642,0,11.99614622,16.00080491,-0.41839006,0.093270963,3.719669102,7.54666303,26,70,70,70,26,0,0,0,0,0,57.681108,3.53604828,3.481365519,3.433173335,3.370128951,3.2765202,3.171824489,3.060380848,2.919088387,1.936556197,1.833420154,1.728258302,1.692075364,1.654634767,1.589983121,1.508141098,1.44269063,3.553964598,3.423857374,3.362305941,3.295912589,3.216344655,3.139504999,3.024682112,2.900452725,1.879950012,1.785960077,1.753105935,1.697613655,1.629881354,1.566781282,1.476454295,1.380403516,3.682570637,3.60436301,3.571343592,3.512133092,3.425391885,3.339071751,3.238765195,3.113741991,1.701072671,1.579174666,1.493861617,1.43867198,1.379739927,1.309781804,1.2059254,1.106955539,3.573516603,3.438898872,3.343301502,3.283555832,3.219003385,3.143192218,3.029536402,2.917851645,1.845356151,1.777689825,1.74798572,1.694975385,1.617950927,1.542593902,1.453165146,1.344809103,3.739422356,3.640360248,3.611204918,3.549711852,3.470097209,3.396211085,3.297556449,3.183747104,1.646245761,1.523407374,1.4601391,1.39828363,1.326194332,1.254366954,1.146026786,1.033471784,4.56668129,3.848180881,3.773189669,3.660514106,3.596299716,3.504912647,3.414952098,3.288784646,1.775376465,1.641120549,1.466877115,1.442199022,1.396625443,1.32205083,1.239274964,1.174678369,0,0,0,0,0,12,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.67766953,13.41421356,9.131727984,6.207106781,4.212310601,2.853553391,1.929378605,1.301776695,0.728802575,0.515931291,0.365269119,0.258629449,0.183143939,0.129706972,0.091875172,0.065088835,17.63059067,10.91008589,6.613896101,4.115887057,2.561048923,1.563926593,0.966476479,0.594486464,0.65298484,0.419618688,0.264555844,0.171495294,0.111349953,0.071087572,0.046022689,0.029724323,37.20900631,70.51638747,67.05490196,68.12,41.44963593,548.8060431,0.524070511,0.993188556,0.944435239,0.95943662,0.583797689,7.729662579,3.5925,108.4078,252.8623993,400.7554646,505.7247986,18.7305481,252.8623993,2.78E-16,1.03E-17,-96.71537656,2000177.231,74080.63817,39.17361514,1014,1,0,6,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,21,0,0,0,0,0,0,0,0,0,0,0,1,0,20,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.694157137,0,35.37089883,0,0,3.52333361,0,0,3.690603658,0,0,3.750632305,0,0.694157137,0,0,0,0,0,0,0,0,0,0,0,0,0,9.50810852,0,0,0,0,0,0,0,0,0,0,0,2.261156391,0,17.86794478,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.532435943,0,26.83846289,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.694157137,0,5.075700328,0,0,3.52333361,0,0,3.690603658,0,0,3.750632305,0,0.694157137,0,0,0,0,0,0,0,0,0,0,0,0,0,0.219850736,0,0,0,0,0,0,0,0,0,0,0,2.261156391,0,0.049013441,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.532435943,0,5.075700328,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.694157137,0,8.532435943,0,0,3.52333361,0,0,3.690603658,0,0,3.750632305,0,0.694157137,0,0,0,0,0,0,0,0,0,0,0,0,0,0.656859568,0,0,0,0,0,0,0,0,0,0,0,2.261156391,0,1.402760377,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.532435943,0,5.57994535,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,55.5,2.055555556,0.694157137,8.532435943,-0.046591599,0.049013441,9.589168945,1.450986559,2.532435943,24.26411044,1.450986559,2.532435943,24.26411044,12.49998,0.46296,0,0.03704,0.5169,0.87037,0.43012,0.5169,0.85,0.08678,0,-0.08678,0.02037,0.53191,0.18238,0,0.06667,0,0,15.75,0.58333,15.75,0.58333,0,0,-15.75,-0.58333,0,0,31.69339,1.17383,40.63452,8.94113,0.33115,10.55736,0.39101,13.41421,2.85685,0.10581,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,26.06,6,6,6,6,1,1,1,1.24885371,1.76211194,2.801698062,3.519801388,3.970239114,4.307088579,88.66861338,125.1099477,198.9205624,249.9058986,281.8869771,305.8032891,0.203073994,0.286534049,0.455579393,0.572348963,0.645593882,0.700368405,4.90089341,4.38763518,3.348049057,2.629945731,2.179508005,1.84265854,0.203752006,0.287490712,0.457100456,0.57425989,0.647749354,0.702706755,11.48724501,16.79976505,20.6965127,23.81880062,26.2657331,27.66182248,98.77841912,78.82945785,69.53406941,56.17498816,46.55862885,40.56541883,27,26,26,27,0,11,3.11,3.4197,0,2.215817997,0,0,0,0,0,0,0,0,0,0.639753249,1.892080006,0,0,0,0,0,0,0.259,1.44,1.505,1.307,0.304,12.831,25,24,23,22,21,20,19,18,17,242,3.295836866,3.258096538,3.218875825,3.17805383,3.135494216,3.091042453,3.044522438,2.995732274,2.944438979,2.890371758,5.493061443,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,24,0.923076923,26,1,1,13,26,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.019230769,0.008888889,0.005208333,0.003478261,0.002525253,0.001943635,0.0015625,0.001299545,0.001111111,9.72E-04,0.057934987,252.8623993,400.7554646,505.7247986,18.7305481,252.8623993,2.78E-16,1.03E-17,-96.71537656,2000177.231,74080.63817,39.17361514,66.38,424.513496,5.754887502,4.634728988,5.303304908,5.978885765,6.65544035,7.334981879,8.01466637,8.696008609,9.377294452,10.05967901,119.0549903,3.970291914,0,5.030437921,0,6.208590026,0,7.44132039,0,8.704999678,9.043577154,392.3137891,5.525546326,52.82842713,1.956608412,17.33020545,17.33020545,0,3276,24,3.884,102,1.243828571,2.128688468,2.848562082,3.628078245,4.838659955,5.91651515,7.140796609,8.148282113,9.471557074,10.56751815,97.91273762,92.71677517,106.3942933,137.8584721,159.1080459,214.1748574,246.1120788,260.6261817,325.3501925,356.3712342,284.4624938,322.2265,363.924899,505.8659806,574.8948569,753.703813,914.9191446,953.2035077,1150.476017,1321.417426,9.665289103,16.50855779,21.56340684,26.60541213,36.18610027,45.0890886,52.3079149,61.16322391,72.01044228,78.02609793,1.973779865,2.432358526,2.878954653,4.045678414,4.582791323,5.972366188,7.412222926,7.621120495,9.163836065,10.67577471,182.3459068,340.294768,474.1342812,579.9669451,808.4209171,980.9810811,1162.14145,1363.047217,1582.060877,1730.742545,3.112521429,4.820260328,6.257567259,6.626500184,9.371835246,13.2451075,12.84522871,16.04958757,20.90921211,19.5833714,0.456170773,0.584654285,0.676327765,0.925653308,1.100375645,1.416767107,1.71347762,1.841964886,2.196429713,2.501514496,943.3548895,2638.372319,43.2522417,282.5550723,-790.2492367,-55.03830744,660.7998171,3428.621555,98.29054914,0.769514009,2.15217463,0.035281744,0.230485991,-0.644622575,-0.044895881,1156.468157,3234.406909,53.02335398,346.3870779,-968.7744116,-67.47200937,0.075025957,0.140652151,1.319483642,7.117975338,1089.395195,136.5147672,0.888642093,0.111357907,2005.702425,44.78506922,12.61117348,2440.275909,49.39914887,13.46313841,3585.573354,59.87965726,15.30568851,5.820696956,5.820696956,33888.11651,33808.05358,150.0184393,1.002368161,225.8930081,225.3593208,9.437098448,16.29851815,31.58833784,0.938111033,12.70706217,18.43817054,22.97032635,74.56685189,19.91450822,7.334918535,34.65690145,28.50363289,39.57739853,0.883651962,30.538511,28.71193975,51.16277625,29.90410349,3.561606704,24.85979422,14.54520216,25.34873405,17.37620365,21.86561165,15.20088067,10.09094489,19.86436143,3.168271123,22.77545785,15.71937403,30.1002262,16.04070541,4.503973105,19.22965824,1.086321922,19.83515521,2.322863085,13.08885887,0.143432336,9.311685817,2.886935053,3.932966641,8.280372196,0.025126445,8.355688658,1.77895323,16.37186152,5.773777323,1.535764188,3.937852524,0.508990235,4.531010171,3.232431873,12.4447319,3.306955129,4.130531553,3.150745804,0.89551813,4.518258521,3.262829248,7.404744145,3.060262614,2.063517928,3.258123572,3.387327069,17.23659472,4.573855233,18.77213163,1.469737059,5.504964416,8.242866354,4.275016893,12.27858735,0.112825281,9.575795218,6.062452361,16.96863057,9.17213029,1.257752497,6.676018396,2.061713762,6.545332984,5.349291445,10.72810649,4.514567257,3.143599436,4.866993332,1.286354208,6.285342275,4.55685013,8.570588712,4.436966654,1.456521703,4.886729026,12.21738857,19.83020774,27.16259557,69.88190322,17.74570567,9.756364331,33.00270964,26.75020112,37.52136307,0.800123678,31.07347822,26.68132912,51.00754143,28.2860606,3.731950105,23.95992711,13.22328008,26.85011972,16.44569429,23.40379926,14.88464083,11.63506312,18.8120707,3.112507159,24.31910731,15.26237672,29.5346641,15.45651549,5.104229636,18.28488443,4.925395491,16.24914554,5.142610324,24.56799987,3.184662886,4.65693518,12.07980899,5.948363655,15.56880896,0.199021584,11.18182964,9.351333923,20.25920767,11.86690171,1.295272363,8.846598078,3.516885178,7.821285627,6.984661818,11.39021788,5.570786499,2.844206686,6.502073054,1.552506509,7.356695584,5.720932188,10.72672678,5.705676083,1.292102143,6.430669233,15.52624804,19.32012861,32.59489339,99.42561103,29.0331516,8.931205986,43.96800455,40.35657083,50.86859522,1.22808504,39.14417201,36.90699992,65.36000044,38.04056361,4.528216759,32.10570316,19.97320141,34.12815455,21.92208458,26.39124902,19.80026581,13.83654377,26.20009396,3.816989589,30.48340126,20.39005753,39.07495034,20.75381872,6.153745177,25.30834629,9.773260391,24.22993332,31.63605682,46.88868953,8.585730232,22.61288852,22.89521903,18.31355786,26.551221,0.432682268,28.74715489,17.17008526,52.83603174,20.16783644,4.078165286,17.46295882,7.448893631,26.33399254,12.07457033,33.29826959,11.51730458,15.33813894,12.95978323,3.093898978,25.02714502,11.96548256,28.43696105,11.47973767,7.123874064,12.80119242,90.09820665,0.787600459,0.488819411,0.986030916,0.008619466,0.563871469,0.689962366,0.591545109,91.37462652,115.3881356,241.4500664,0.979046373,1.845378944,87.83023022,0.293991763,0.089113289,0.995657062,0.003332736,0.535843502,0.096159327,0.019659657,88.21333527,33.67440348,124.1887654,0.993485593,0.651662486,88.15009822,0.499075312,0.252691138,0.991543862,0.005613778,0.539752864,0.277119768,0.158077844,88.90186467,66.39439834,166.4130401,0.987315793,0.974950477,90.14189659,0.75674176,0.464570042,0.986632346,0.008282784,0.564418457,0.636954249,0.534310099,91.36320839,110.4429217,233.4963748,0.979948518,1.735682806,88.48861917,0.600513684,0.334318671,0.989546005,0.006715394,0.543905915,0.401217196,0.276701967,89.42345153,82.92278721,190.1114738,0.984319007,1.221825078,90.39051441,0.819126028,0.514944734,0.98545569,0.008930278,0.567536013,0.746233692,0.656465978,91.72458517,121.009147,250.86087,0.978183536,1.970235684,90.69489417,0.76676605,0.472560294,0.986519423,0.008340377,0.571364675,0.653881964,0.552847611,91.93422051,112.7629148,237.5598125,0.979779134,1.778094251 +UMLCP0020,L,CCCCCCCCCCCOCCOCCOCCOCCOCCOCCO,C11E6,57.5,0,-3.7748,14.24911504,105.6409,78.100064,0,0,78,30,48,0,23,0,7,0,0,0,0,0,0,0,5158.621862,5391.517921,5905.864872,5852.288015,5419.748762,5353.977601,5218.45244,4817.896947,4731.981914,12747.64391,16186.38856,20770.30174,21431.13143,21091.05711,20310.39168,18916.3293,18479.81171,17705.70324,589.380152,595.08862,1127.523912,1385.353604,1260.897224,1409.478052,1229.78312,1115.565348,1227.858176,89.98854743,114.9051706,157.7581347,174.1539564,175.373299,166.2060398,152.9485987,152.60626,143.9756545,13090.47649,11404.11699,23439.19925,30684.72765,28408.44985,31977.22444,27197.54648,25055.07457,27755.93164,211,186.75,327.5,391.25,296,355.75,350.5,267.25,315,66.13617772,70.01971326,40.73010257,31.97971593,31.14798139,28.32792381,32.21266938,31.48952253,28.85354826,163.4313322,210.2128384,143.2434603,117.1100078,121.2129719,107.4623898,116.7674648,120.7830831,107.9616051,7.556155795,7.728423636,7.776026979,7.570238273,7.24653577,7.457555831,7.591253827,7.291276784,7.486940098,1.153699326,1.492274942,1.087987136,0.951660964,1.007892523,0.879397036,0.944127152,0.997426536,0.877900333,167.8266216,148.1054154,161.64965,167.6761074,163.2669532,169.1916637,167.8860894,163.7586574,169.2434856,2.705128205,2.425324675,2.25862069,2.137978142,1.701149425,1.882275132,2.163580247,1.746732026,1.920731707,1.241514904,-0.290099281,-0.720159303,0.591033944,-0.058361137,-0.471102192,0.497925361,-0.057192527,-0.37898265,2714.445491,94.02148343,-1173.206266,-95.31145136,197.0313121,209.5809803,-97.74775124,137.2823394,138.7830151,3616.989493,-408.1906528,-1298.509424,200.1957078,-657.6672647,490.823132,167.5197251,-532.77705,382.5921399,6.895855795,-0.055587695,-2.837260029,2.968289917,0.87629297,-1.446927503,2.247058272,0.468437736,-1.422901312,15.87866754,-3.836969622,-4.687569909,4.283878569,-5.787422395,1.477758734,3.531568593,-4.717101075,1.099536473,88.85381248,-24.45067151,-24.75654875,30.74900765,-36.08159251,6.026575347,25.23325468,-29.55272942,4.178121784,55.87179487,-1.392669297,-20.14628534,16.23027613,7.439842209,-8.74704142,12.68934911,4.616863905,-8.96120973,0.015916858,-0.003767523,-0.004966616,0.003229694,-3.35E-04,-0.002492604,0.003073613,-3.74E-04,-0.00231087,34.80058322,1.221058226,-8.091077696,-0.520827603,1.132363863,1.108894076,-0.603381181,0.897270192,0.846237897,46.37166017,-5.30117731,-8.955237408,1.093965617,-3.779696924,2.596947788,1.034072377,-3.482202941,2.332878902,0.088408408,-7.22E-04,-0.019567311,0.016220163,0.005036166,-0.007655701,0.01387073,0.003061685,-0.008676228,0.203572661,-0.049830774,-0.032328068,0.023409173,-0.033261048,0.007818829,0.021799806,-0.030830726,0.006704491,1.139151442,-0.317541188,-0.170734819,0.168027364,-0.207365474,0.031886642,0.155760831,-0.193155094,0.025476352,0.716305062,-0.018086614,-0.138939899,0.088690034,0.042757714,-0.046280642,0.078329316,0.030175581,-0.054641523,-0.236700182,-0.312034948,0.202910256,-0.021072553,-0.156601525,0.193104279,-0.023484997,-0.145183795,0.035087292,-0.232498336,-0.01496606,0.032538646,0.031864238,-0.017338249,0.025783194,0.024316773,-0.114319334,-0.193118758,0.023591254,-0.081508769,0.056002907,0.022299663,-0.075093342,0.050308289,-0.008165718,-0.221328616,0.183468563,0.056964791,-0.086594717,0.156893789,0.034631147,-0.098138036,-0.244781269,-0.158803585,0.11499173,-0.163386616,0.038408052,0.107086119,-0.151448264,0.032934141,-0.278752391,-0.149878947,0.147502218,-0.182035036,0.027991574,0.136734086,-0.169560505,0.022364324,-0.025249876,-0.193967495,0.123816008,0.059692045,-0.064610241,0.109351894,0.042126718,-0.076282475,1.246232664,1.659327402,0.903551551,0.585360808,1.156478787,0.961688997,0.675566074,1.199223374,1.127594272,1.37335108,1.035849806,0.869863712,0.946023664,1.047371786,0.894771749,0.966225843,1.536121197,1.282874894,0.940062825,1.156123222,0.87144598,0.934884479,1.136075669,0.874327566,0.939733108,1.602040093,0.964643522,0.487654789,1.132486065,1.033826462,0.596429101,1.193804384,1.798473776,1.282445849,0.843018805,1.262710351,0.870463033,0.842523861,1.233273934,0.872441333,1.852549021,1.294189474,0.815727201,1.268832335,0.879884255,0.819358643,1.241457372,0.883773017,0.962023864,1.36152221,0.856640134,0.415822665,0.977104686,0.923023643,0.497667126,1.048322261,547.6050571,274.6775286,433.0297166,549.2383905,18.30794635,274.6775286,1.75,0.115035031,0.003834501,-6.487555739,650.185681,21.67285603,19.43177396,547.8303907,274.7876249,433.2095769,549.4589258,18.31529753,274.7876249,1.744859054,0.114637789,0.00382126,-6.497933346,661.7533392,22.05844464,19.48467866,748.0410099,372.6240243,595.0149845,745.434246,24.8478082,372.6240243,-2.792961346,0.124442945,0.004148098,-6.251723824,468.6093739,15.62031246,18.44930859,548.0668843,274.903174,433.3983536,549.6903837,18.32301279,274.903174,1.739463602,0.114221314,0.003807377,-6.508852088,674.9795864,22.49931955,19.54404734,960.778039,476.6009896,768.9320875,953.7070498,31.79023499,476.6009896,-7.57605985,0.24993462,0.008331154,-4.159667749,396.1135375,13.20378458,17.94510264,571.2121488,286.212044,451.9127132,572.3432921,19.07810974,286.212044,1.211939301,0.075547166,0.002518239,-7.748994302,425.0260878,14.16753626,18.15645165,461.5538314,232.2230731,364.8343293,464.1756148,15.47252049,232.2230731,4.057971014,0.332956074,0.011098536,-3.299234122,345.0865254,11.50288418,17.53138555,0,11.99613703,16.00166883,-0.418401509,0.093750075,3.719662088,7.546668021,29,77,77,77,29,0,0,0,0,0,63.969936,3.536066736,3.486786056,3.445910058,3.394655574,3.320952633,3.228327418,3.133858027,3.024626275,1.936556198,1.833420192,1.732103382,1.701557472,1.669077049,1.62229568,1.555025732,1.483925101,3.553964602,3.42387192,3.369289082,3.317603467,3.247331665,3.180075614,3.097050828,2.986872378,1.879950035,1.786091936,1.759345345,1.715779236,1.656563024,1.59913757,1.533136241,1.445816666,3.682571621,3.607595888,3.579656657,3.534432937,3.463828984,3.383290389,3.304558067,3.203874634,1.701072672,1.579175564,1.49943639,1.455793336,1.400857481,1.347566981,1.26848111,1.173349324,3.573516603,3.438899629,3.349322433,3.302250693,3.242337573,3.184337869,3.098565631,2.993857111,1.845357284,1.780614458,1.75536046,1.714737316,1.651526551,1.580681543,1.51125292,1.42157535,3.739422425,3.640978986,3.618513466,3.570659438,3.503099939,3.433656954,3.36112277,3.263415988,1.646245763,1.52341576,1.46656616,1.418237268,1.353558813,1.292584243,1.213349755,1.110719897,4.571201954,3.856946708,3.800908671,3.712406136,3.617629599,3.574272457,3.470391287,3.392848053,1.774144083,1.63988047,1.468550735,1.446850701,1.414046407,1.356746194,1.286179279,1.216495317,0,0,0,0,0,14,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.79898987,14.91421356,10.19238816,6.957106781,4.742640687,3.228553391,2.194543648,1.489276695,0.726632996,0.514283226,0.364013863,0.257670622,0.182409257,0.129142136,0.091439319,0.064751161,19.45305252,11.98743616,7.226268537,4.487895525,2.780962126,1.688926593,1.042412389,0.639376058,0.648435084,0.413359868,0.258081019,0.166218353,0.106960082,0.067557064,0.04343385,0.027798959,41.00746102,77.62272396,73.85490196,75.04,45.52698443,603.0170743,0.52573668,0.995163128,0.946857717,0.962051282,0.583679288,7.730988131,3.6091,119.2268,312.2692051,494.8140937,624.5384101,20.817947,312.2692051,9.44E-16,3.15E-17,-103.7902032,344.5468977,11.48489659,17.52669064,1262,1,0,7,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,23,0,0,0,0,0,0,0,0,0,0,0,1,0,22,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.693351539,0,40.86197737,0,0,3.5201264,0,0,3.686193384,0,0,3.743148872,0,0.693351539,0,0,0,0,0,0,0,0,0,0,0,0,0,10.90291857,0,0,0,0,0,0,0,0,0,0,0,2.261373588,0,18.87664904,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.543116661,0,32.31886071,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.693351539,0,5.076972076,0,0,3.5201264,0,0,3.686193384,0,0,3.743148872,0,0.693351539,0,0,0,0,0,0,0,0,0,0,0,0,0,0.220961847,0,0,0,0,0,0,0,0,0,0,0,2.261373588,0,0.042985717,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.543116661,0,5.076972076,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.693351539,0,8.543116661,0,0,3.5201264,0,0,3.686193384,0,0,3.743148872,0,0.693351539,0,0,0,0,0,0,0,0,0,0,0,0,0,0.665124031,0,0,0,0,0,0,0,0,0,0,0,2.261373588,0,1.400927816,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.543116661,0,5.595879022,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,62,2.066666667,0.693351539,8.543116661,-0.053138226,0.042985717,10.07545823,1.457014283,2.543116661,28.24670191,1.457014283,2.543116661,28.24670191,13.83331,0.46111,0,0.03889,0.52265,0.87889,0.43043,0.52265,0.86022,0.09222,0,-0.09222,0.01867,0.52465,0.18964,0,0.06024,0,0,17.75,0.59167,17.75,0.59167,0,0,-17.75,-0.59167,0,0,35.75208,1.19174,46.56874,10.81666,0.36056,11.55365,0.38512,14.91421,3.36057,0.11202,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,29.07,7,7,7,7,1,1,1,1.262689277,1.757062573,2.756684559,3.431505887,3.85839474,4.184486912,98.48976359,137.0508807,215.0213956,267.6574592,300.9547897,326.3899791,0.200892359,0.279546561,0.438585227,0.545948496,0.613866003,0.665746879,5.022712942,4.528339646,3.52871766,2.853896332,2.427007479,2.100915307,0.201489115,0.280376962,0.439888058,0.547570252,0.615689511,0.6677245,11.66114862,16.81751131,20.49264477,23.45487451,25.81737635,27.2256139,109.8626749,88.58523466,79.28475786,65.66171567,55.60011323,48.96043705,30,29,29.03703704,30,0,11,3.22,3.7602,0,2.202663399,0,0,0,0,0,0,0,0,0,0.668048377,2.491141646,0,0,0,0,0,0,0.259,1.651,1.731,1.492,0.318,14.189,28,27,26,25,24,23,22,21,20,275,3.401197382,3.36729583,3.33220451,3.295836866,3.258096538,3.218875825,3.17805383,3.135494216,3.091042453,3.044522438,5.620400866,1,0.482758621,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,27,0.931034483,29,1,1,15,29,0.933333333,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.017241379,0.007936508,0.00462963,0.003076923,0.002222222,0.00170068,0.001358696,0.001122334,9.52E-04,8.26E-04,0.051749255,312.2692051,494.8140937,624.5384101,20.817947,312.2692051,9.44E-16,3.15E-17,-103.7902032,344.5468977,11.48489659,17.52669064,75.61,467.895692,5.906890596,4.744932128,5.416100402,6.09356977,6.771935556,7.452982329,8.134174272,8.816853241,9.499496358,10.18312485,126.1131689,4.077537444,0,5.141663557,0,6.32256524,0,7.557472902,0,8.823058934,9.160834952,436.3400039,5.594102614,58.82842713,1.960947571,20.33020321,20.33020321,0,4495,27,3.694,114,1.244766234,2.127883608,2.84804888,3.632905771,4.830586912,5.919185991,7.131978048,8.12660671,9.46290659,10.55311132,99.56278534,94.56667144,109.9950707,142.3077491,162.5940284,222.120731,254.8391688,266.4876754,338.9845364,370.430801,284.6370357,322.1111328,367.8669769,512.2230815,574.7240819,762.8088719,927.6420902,951.8530724,1166.90287,1344.313718,9.712690279,16.60546086,21.70448775,26.71541984,36.31029222,45.44454261,52.36823197,61.33262373,72.51857859,78.0416649,1.962663557,2.409828688,2.884029413,4.06950428,4.540842001,5.98661839,7.461352915,7.537586632,9.196407009,10.78464684,182.714254,341.0906279,474.3727747,579.7262524,808.587479,982.3225556,1157.804926,1362.34181,1581.601531,1722.339531,3.151977273,4.907223086,6.418639029,6.721966874,9.512953564,13.61311275,12.98120679,16.27158326,21.50685473,19.72218022,0.457182358,0.585229995,0.682226764,0.935631116,1.100902636,1.430549356,1.732037958,1.840725442,2.219895501,2.534178307,1071.880063,3400.823542,51.64661213,294.1459703,-933.2560376,-59.33367671,777.7340927,4334.079579,110.9802888,0.784670304,2.489574473,0.037807927,0.215329696,-0.683190521,-0.043435246,1464.21607,4645.613492,70.5506167,401.8110529,-1274.852043,-81.05134703,0.066135496,0.123985087,1.350397592,5.829605902,1215.088746,150.9372873,0.889506288,0.110493712,2263.143792,47.57251089,13.12917336,2736.46542,52.31123608,13.98717434,4079.463191,63.87067552,15.97843865,6.428503685,6.428503685,46074.42074,45985.44902,165.585691,1.00193478,278.2512213,277.713906,10.07839177,17.66085651,35.07330989,0.98593482,13.82266457,20.15220982,26.48980989,80.60767964,20.45330208,8.715545575,39.94561176,33.12123832,41.08170482,0.883745848,37.02591507,28.81025892,63.02922542,29.90468303,3.872544861,28.77942279,14.84475944,28.29039404,17.37620365,28.07526624,15.4385054,12.74972875,20.76171503,3.172953474,28.09136566,15.71937408,44.51264104,16.04070542,6.298144007,22.18030856,1.17994694,21.80327166,2.696280621,13.82830226,0.147230856,11.16167349,3.235464726,4.756745272,8.376936352,0.025217893,9.815235926,1.779646359,20.29365505,5.773781433,1.933699145,4.167175195,0.519435308,4.983103768,3.232431873,16.41899381,3.308629771,5.738762506,3.159645166,0.899282137,5.154452025,3.262829265,10.6132659,3.060262615,3.407958534,3.289881493,3.689559355,18.73224013,5.24317914,20.17832275,1.509285786,6.58912961,9.430768146,5.003865092,12.60913077,0.112916791,11.37231914,6.069669188,20.99831384,9.172172897,1.473828442,7.477835615,2.092542835,7.162619399,5.349291445,14.06093849,4.532010217,4.230832046,4.939383734,1.290278971,7.22826986,4.556850145,12.53257945,4.436966655,2.300609356,5.131299269,13.27042631,21.79735342,31.48533339,75.70326175,18.22577437,11.60415024,37.92919052,31.14001923,38.92094858,0.800217346,37.63396299,26.76893202,62.86794057,28.28657697,4.144161699,27.59125933,13.49149222,30.52272815,16.44569429,30.17207376,15.0963609,15.04473812,19.61333845,3.117132927,30.46439882,15.26237676,43.48838257,15.4565155,7.421790945,20.92135208,5.370830162,17.56524775,5.834332498,26.53462575,3.270559811,5.571184427,13.89410017,6.881484566,16.07573236,0.199113271,13.37734268,9.367008396,25.04832893,11.86699419,1.441814752,10.09469244,3.573178298,8.415622729,6.984661818,14.86034852,5.608672402,3.681692894,6.653043529,1.55655002,8.386121021,5.720932205,15.84001372,5.705676085,1.917950997,6.935047599,16.87349951,21.19448724,37.7080908,107.22296,29.81893189,10.59226101,50.66578027,46.94089112,52.78342336,1.228180113,47.49240943,37.0503892,80.47522606,38.04140872,4.907112835,37.1716061,20.40438069,38.39540279,21.92208458,33.76701521,20.14681578,17.44141354,27.50055282,3.821913995,38.19148247,20.39005759,57.78555431,20.75381874,8.53342973,29.57611794,10.52250985,26.95296746,36.75869194,51.29754587,8.841818299,26.63362174,26.1156563,21.48860701,27.51453888,0.433950522,34.57620918,17.25930297,64.68753368,20.22300259,4.782223815,19.76849994,7.604619163,30.84406232,12.10744866,42.5347649,11.65128348,20.17589463,13.38969238,3.106546251,31.6456912,11.99806389,40.28470722,11.51099631,10.54263695,14.14081426,111.0850061,0.785688266,0.487302079,0.988670229,0.006992722,0.566488967,0.690408729,0.589739762,112.3579964,141.7930077,296.6818455,0.983005344,1.846637457,107.2458047,0.291661791,0.087748525,0.996474708,0.002709976,0.528021115,0.095271302,0.01912245,107.625215,40.7157576,151.0857029,0.994712062,0.642414867,108.6561506,0.496935749,0.251108421,0.993162564,0.0045422,0.541995355,0.276612611,0.156598081,109.4041947,81.40438479,204.3672103,0.989743846,0.975206047,110.8913941,0.753723677,0.462209058,0.989153851,0.006723233,0.564516192,0.635435326,0.530567674,112.1073268,135.1848541,285.9242931,0.983730777,1.730519192,109.413075,0.599309617,0.333348529,0.991547855,0.005431199,0.549570469,0.402270014,0.275969424,110.3457331,102.2447746,234.4489401,0.987321782,1.227809907,111.3722883,0.816973207,0.513258289,0.988196968,0.007248935,0.56942211,0.746187658,0.654238089,112.7025198,148.5702439,307.973199,0.982295451,1.969847857,111.6279225,0.764492087,0.470728404,0.98905559,0.00677362,0.572039359,0.653498114,0.550306561,112.863143,138.2449654,291.2794413,0.983583385,1.775844034 +UMLCP0021,L,CCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO,C11E8,82,0,-4.0366,16.29413956,127.7279,92.078408,0,0,92,36,56,0,27,0,9,0,0,0,0,0,0,0,6255.74286,6545.558823,7192.985966,7175.281653,6678.77488,6653.291463,6541.446078,6076.923065,6031.295776,15123.16303,19162.2333,24526.59051,25380.65252,25233.46474,24439.68537,22865.8504,22622.21934,21834.99694,699.99336,707.246244,1342.324736,1628.677212,1483.743616,1704.900444,1473.106728,1338.41174,1523.280568,105.9874587,134.748685,183.6582447,203.339366,207.6820712,197.4415047,182.1340083,184.9150322,175.2111194,15447.8977,13496.05939,27752.28648,35748.60346,33204.71386,38509.3235,32261.42229,29851.33858,34288.0307,252.5,224.25,397,472.75,353.5,437.25,432,324.75,396.5,67.997205,71.92921784,42.06424542,33.68676832,32.73909255,29.30965402,34.07003166,33.20722986,29.85789988,164.3822068,210.5739923,143.4303538,119.1579931,123.6934546,107.6638122,119.0929708,123.6186849,108.0940443,7.608623478,7.771936747,7.849852257,7.646371887,7.27325302,7.510574643,7.672430875,7.313725355,7.540992911,1.152037594,1.480754781,1.074024823,0.954644911,1.018049369,0.869786364,0.948614627,1.010464657,0.867381779,167.9119315,148.308345,162.294073,167.8338191,162.7682052,169.6445969,168.0282411,163.1220687,169.7427262,2.744565217,2.464285714,2.321637427,2.219483568,1.732843137,1.926211454,2.25,1.774590164,1.962871287,1.571713551,-0.353151328,-0.945966703,0.777846115,-0.060705107,-0.655570393,0.684737531,-0.059536497,-0.56345085,3262.831233,142.7207276,-1415.692987,-173.4640061,245.1524379,294.8203419,-176.6393207,182.9762238,219.352574,4248.055393,-518.9347718,-1447.304377,258.4974717,-924.6944311,715.0542997,225.8794458,-798.5037463,604.6497262,8.746051304,-0.099706747,-3.960480229,3.682802784,1.193127456,-2.153289544,2.954056582,0.747361427,-2.146479429,18.63053414,-5.04674196,-5.100894328,5.747010613,-7.961222053,2.187818088,4.994542008,-6.892118991,1.810188704,104.532599,-32.31716207,-27.08152822,41.18886815,-49.4789208,9.010488438,35.66790227,-42.98749405,7.175572688,65.9673913,-1.331876181,-26.62960775,18.93962665,9.594045369,-12.38149811,15.35066163,6.613775992,-12.68927221,0.017083843,-0.003880784,-0.005531969,0.00365186,-2.98E-04,-0.002887975,0.003566341,-3.25E-04,-0.002789361,35.46555688,1.568359644,-8.278906354,-0.814385005,1.201727637,1.298768026,-0.919996462,0.999870076,1.085903832,46.17451514,-5.70257991,-8.463768286,1.213603153,-4.532815839,3.150018942,1.176455447,-4.36340845,2.993315476,0.095065775,-0.001095679,-0.023160703,0.017290154,0.005848664,-0.009485857,0.015385711,0.004083942,-0.010626136,0.202505806,-0.055458703,-0.029829791,0.02698127,-0.039025598,0.009637965,0.02601324,-0.037661852,0.00896133,1.136223902,-0.355133649,-0.15837151,0.193374968,-0.242543729,0.039693782,0.185770324,-0.234904339,0.035522637,0.717036862,-0.014636002,-0.1557287,0.088918435,0.047029634,-0.054544045,0.079951363,0.036140852,-0.062818179,-0.227161057,-0.323812917,0.21376102,-0.017418449,-0.16904717,0.208755215,-0.019043493,-0.163274777,0.04422205,-0.233435115,-0.022962702,0.033884358,0.036620545,-0.025940562,0.028192708,0.030618547,-0.123500591,-0.18329956,0.026282965,-0.098167048,0.06821986,0.025478458,-0.094498197,0.064826138,-0.011525478,-0.243628194,0.181875695,0.061522288,-0.099782041,0.161842802,0.042959122,-0.11177667,-0.273862286,-0.147303388,0.133237022,-0.192713479,0.047593525,0.12845676,-0.185979124,0.044252214,-0.312556045,-0.139384068,0.170190899,-0.213464731,0.034934824,0.16349799,-0.20674124,0.031263765,-0.020411785,-0.217183674,0.124008178,0.065588865,-0.076068676,0.111502444,0.050403061,-0.087608019,1.238535489,1.704622341,0.930269965,0.579611382,1.193509224,0.985554039,0.653821102,1.240002521,1.096245946,1.375744428,1.056106778,0.866231194,0.948267611,1.069785204,0.887967065,0.966639596,1.536124327,1.257875805,0.93684527,1.18862809,0.853083225,0.931453732,1.174662504,0.852490206,0.94031646,1.646423428,0.997270029,0.481355077,1.165318737,1.062425834,0.569189148,1.225328221,1.829787168,1.255464199,0.823531395,1.313688247,0.850624307,0.820310376,1.29369759,0.849005234,1.890239658,1.270347979,0.793410892,1.321250876,0.862435245,0.793641381,1.303610884,0.862950974,0.95122755,1.429888639,0.90507443,0.422631567,1.020928921,0.966347078,0.491860003,1.084112737,778.607556,390.428778,614.9426215,780.732556,21.68701545,390.428778,2.25,0.100178976,0.002782749,-8.28286897,760.8021814,21.13339393,23.88374416,778.9624181,390.6029042,615.2280574,781.0811755,21.69669932,390.6029042,2.243390212,0.099826612,0.002772961,-8.295553707,754.2061622,20.95017117,23.85239672,1093.784531,545.0967906,870.0151943,1090.393078,30.28869662,545.0967906,-3.590950303,0.105001593,0.002916711,-8.113607127,532.651417,14.79587269,22.60032195,779.3348538,390.7856535,615.5276357,781.4470596,21.70686277,390.7856535,2.236453202,0.099457241,0.002762701,-8.308898862,747.5890733,20.76636315,23.82067245,1427.600361,708.9298563,1141.615884,1418.40086,39.40002388,708.9298563,-9.740648379,0.208497625,0.005791601,-5.644179457,611.3128395,16.98091221,23.09619183,815.7769391,408.6675734,644.8725999,817.2485796,22.70134943,408.6675734,1.558207673,0.065384479,0.001816236,-9.818893367,536.5118854,14.90310793,22.62631938,638.7219978,321.1936444,502.3530273,642.0986351,17.8360732,321.1936444,5.195767196,0.302792332,0.008410898,-4.300949088,522.6754129,14.51876147,22.53225833,0,11.99612238,16.00350699,-0.418422855,0.095160767,3.719659237,7.54667451,35,91,91,91,35,0,0,0,0,0,76.547592,3.536074711,3.493431645,3.464114322,3.425708535,3.377401042,3.312348905,3.23527043,3.15571984,1.936556198,1.833420196,1.736607641,1.71557487,1.687941958,1.659076918,1.616693412,1.562643026,3.553964602,3.42387743,3.377148085,3.344044828,3.294447848,3.235843742,3.179309436,3.111656183,1.879950038,1.786194255,1.766599898,1.73816767,1.69640367,1.64665703,1.598517062,1.544208818,3.68257185,3.611880147,3.590851537,3.561122873,3.514941246,3.453784865,3.386705754,3.320671721,1.701072672,1.57917575,1.50575345,1.477502434,1.435719454,1.390723561,1.344176664,1.279934617,3.573516603,3.438899776,3.356120097,3.325783914,3.280643741,3.231501058,3.181062849,3.111532674,1.845357569,1.784509668,1.765367329,1.738542617,1.696858339,1.642010798,1.582858582,1.524664262,3.739422435,3.641733072,3.627152241,3.596187483,3.549769368,3.492537515,3.434590213,3.374676544,1.646245764,1.523418593,1.47381394,1.442770354,1.396377812,1.342655413,1.291079988,1.226474643,4.578263124,3.867562527,3.833081294,3.777038101,3.702242844,3.62337908,3.586327235,3.502354918,1.772220425,1.63794484,1.470282336,1.453280637,1.432523016,1.397814201,1.349622424,1.294033593,0,0,0,0,0,18,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26.04163056,17.91421356,12.3137085,8.457106781,5.803300859,3.978553391,2.724873734,1.864276695,0.723378627,0.511834673,0.362167897,0.256275963,0.181353152,0.128340432,0.090829124,0.064285403,23.09797623,14.1421367,8.451013408,5.231912461,3.220788532,1.938926593,1.19428421,0.729155247,0.641610451,0.404061049,0.248559218,0.158542802,0.100649642,0.062546019,0.039809474,0.025143284,48.60437045,91.83539694,87.45490196,88.88,53.68168144,711.4391365,0.528308374,0.998210836,0.95059676,0.966086957,0.583496537,7.733034093,3.6423,140.8648,449.8428689,712.634107,899.6857377,24.99127049,449.8428689,4.72E-16,1.31E-17,-127.0435737,471.4245719,13.095127,22.16073281,1838,1,0,9,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,27,0,0,0,0,0,0,0,0,0,0,0,1,0,26,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.691629252,0,51.87618476,0,0,3.513856038,0,0,3.679120932,0,0,3.734603606,0,0.691629252,0,0,0,0,0,0,0,0,0,0,0,0,0,13.70829188,0,0,0,0,0,0,0,0,0,0,0,2.261536797,0,20.86227844,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.560201993,0,43.31598277,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.691629252,0,5.080548615,0,0,3.513856038,0,0,3.679120932,0,0,3.734603606,0,0.691629252,0,0,0,0,0,0,0,0,0,0,0,0,0,0.222651725,0,0,0,0,0,0,0,0,0,0,0,2.261536797,0,0.035164714,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.560201993,0,5.080548615,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.691629252,0,8.560201993,0,0,3.513856038,0,0,3.679120932,0,0,3.734603606,0,0.691629252,0,0,0,0,0,0,0,0,0,0,0,0,0,0.677170516,0,0,0,0,0,0,0,0,0,0,0,2.261536797,0,1.398002717,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.560201993,0,5.615592318,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,75,2.083333333,0.691629252,8.560201993,-0.06153227,0.035164714,11.03260211,1.464835286,2.560201993,36.27544311,1.464835286,2.560201993,36.27544311,16.49997,0.45833,0,0.04167,0.53152,0.89167,0.43091,0.53152,0.87568,0.10061,0,-0.10061,0.01599,0.51402,0.20027,0,0.0505,0,0,21.75,0.60417,21.75,0.60417,0,0,-21.75,-0.60417,0,0,44.12433,1.22568,58.86217,14.73784,0.40938,13.54621,0.37628,17.91421,4.368,0.12133,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,35.09,9,9,9,9,1,1,1,1.283092791,1.74105133,2.664408505,3.264554694,3.647908417,3.948168315,118.0445368,160.1767224,245.1255824,300.3390318,335.6075744,363.231485,0.196685921,0.266886609,0.408428482,0.500425184,0.559189664,0.60521665,5.240469165,4.782510626,3.859153451,3.259007262,2.875653539,2.575393641,0.197162459,0.267533232,0.409418037,0.501637632,0.560544488,0.606682991,11.91567599,16.74316642,20.0348382,22.70323938,24.87511155,26.23331369,132.1235225,108.7080691,99.46424117,85.64975183,75.10681946,67.73226149,36,35,35.03030303,36,0,11,3.44,4.4412,0,2.176628335,0,0,0,0,0,0,0,0,0,0.708400186,3.74686121,0,0,0,0,0,0,0.259,2.073,2.183,1.862,0.346,16.905,34,33,32,31,30,29,28,27,26,341,3.583518938,3.555348061,3.526360525,3.496507561,3.465735903,3.433987204,3.401197382,3.36729583,3.33220451,3.295836866,5.834810737,1,0.485714286,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,33,0.942857143,35,1,1,18,35,0.944444444,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.014285714,0.006535948,0.003787879,0.0025,0.001792115,0.001360544,0.001077586,8.82E-04,7.41E-04,6.36E-04,0.042533146,449.8428689,712.634107,899.6857377,24.99127049,449.8428689,4.72E-16,1.31E-17,-127.0435737,471.4245719,13.095127,22.16073281,94.07,554.6600839,6.169925001,4.934473933,5.609471795,6.289715571,6.970730078,7.65396918,8.337348564,9.021960501,9.706559843,10.39197554,139.916205,4.262679877,0,5.332718793,0,6.517671273,0,7.75576717,0,9.024131268,9.360741173,524.3924334,5.699917754,70.82842712,1.967456309,26.3302029,26.3302029,0,7770,33,3.314,138,1.246208791,2.126641016,2.847239321,3.640431031,4.818495129,5.923275717,7.118677923,8.095488558,9.450158509,10.53230145,102.1013203,97.42265165,115.6751704,149.2433869,167.8153239,234.2878499,268.0013373,274.9026911,359.0772538,390.7390642,284.9055616,321.9330221,374.0854658,522.1326799,574.4682956,776.7509933,946.8307951,949.9143286,1191.110865,1377.38614,9.785615165,16.7550656,21.92703791,26.88690244,36.49630659,45.98883156,52.45920198,61.5758215,73.26741104,78.06415053,1.945561544,2.37504578,2.892034669,4.106644602,4.478010417,6.008442073,7.535450603,7.417661779,9.244406294,10.94190658,183.2809419,342.319324,474.7489898,579.351055,808.8369549,984.3766885,1151.264595,1361.329096,1580.924601,1710.201844,3.212678571,5.04148138,6.672724075,6.870782597,9.724320209,14.1766208,13.18628849,16.59028995,22.38759122,19.92268185,0.458738644,0.586118811,0.691532226,0.951184758,1.101691962,1.451653426,1.760030598,1.838946042,2.254476661,2.581359366,1212.542223,4758.865156,59.56592384,312.7711477,-1227.533102,-66.18143862,899.7710755,5986.398259,125.7473625,0.794946302,3.119926205,0.039051598,0.205053698,-0.804774367,-0.043388749,1849.506866,7258.760654,90.85670008,477.0740137,-1872.372654,-100.9474332,0.05346456,0.100230715,0.949744694,3.822117875,1358.405552,166.907819,0.890574736,0.109425264,2778.026526,52.70698745,14.05763068,3328.844443,57.69613889,14.9313073,5071.522656,71.21462389,17.18090844,6.967785072,6.967785072,78661.88984,78555.57552,196.2452316,1.001353364,400.8346557,400.2929135,11.30442406,21.14401899,42.04041233,0.98828862,16.05386938,23.58028838,33.52877697,92.68933516,21.53088981,11.47679965,50.52303238,42.35644918,44.09031739,0.88393362,50.00072321,29.00689725,86.76212377,29.90584211,4.494421176,36.61867993,15.44387402,34.17371401,17.37620365,40.49457543,15.91375485,18.06729648,22.55642223,3.182318177,38.72318128,15.71937416,73.33747074,16.04070545,9.88648581,28.08160921,1.367196978,25.73950456,3.443115692,15.30718906,0.154827897,14.86164885,3.932524073,6.404302533,8.570064662,0.025400789,12.73433046,1.781032618,28.13724212,5.773789653,2.729569058,4.625820535,0.540325454,5.887290963,3.232431874,24.36751763,3.311979055,8.955224411,3.177443889,0.906810152,6.426839034,3.262829299,17.03030941,3.060262615,6.096839746,3.353397336,4.294023926,21.72353094,6.581826955,22.99070501,1.588383242,8.757459997,11.80657173,6.461561491,13.27021762,0.113099812,14.965367,6.084102842,29.05768037,9.172258111,1.905980332,9.081470053,2.154200979,8.397192228,5.349291445,20.72660249,4.566896139,6.405297265,5.084164539,1.298128496,9.114125029,4.556850175,20.45656094,4.436966657,3.988784663,5.620439755,15.37650179,25.73164477,40.13080902,87.3459788,19.18591178,15.29972205,47.7821523,39.91965543,41.72011959,0.800404683,50.75493252,26.94413782,86.58873886,28.28760973,4.968584888,34.85392376,14.02791651,37.867945,16.44569429,43.70862275,15.51980102,21.8640881,21.21587394,3.126384463,42.75498183,15.26237684,71.3958195,15.45651552,12.05691356,26.19428738,6.261699504,20.19745217,7.217776847,30.46787751,3.44235366,7.399682919,17.52268254,8.747726389,17.08957916,0.199296644,17.76836876,9.398357342,34.62657146,11.86717915,1.73489953,12.59088117,3.685764538,9.604296933,6.984661818,21.8006098,5.684444208,5.356665311,6.95498448,1.564637042,10.44497189,5.720932238,26.06658761,5.705676089,3.169648706,7.94380433,19.56800245,24.94320452,47.93448562,122.817658,31.39049247,13.91437106,64.06133171,60.10953171,56.61307964,1.228370258,64.18888428,37.33716775,110.7056773,38.04309895,5.664904988,47.30341198,21.26673927,46.92989926,21.92208458,48.51854759,20.83991571,24.65115306,30.10147053,3.831762805,53.60764488,20.39005769,95.20676225,20.75381877,13.29279884,38.11166125,12.01860333,32.40409752,47.03053643,60.11409034,9.34675872,34.69865834,32.56956095,27.8567593,29.42098136,0.435974136,46.2734233,17.41788067,88.47690805,20.30937793,6.194323292,24.38759972,7.908946048,39.88945572,12.15886027,61.08470316,11.90686555,29.89427909,14.23914098,3.128218923,44.93649486,12.04901112,64.09635554,11.55987523,17.41500325,16.82147083,159.3755732,0.78107425,0.48496011,0.992118889,0.004862216,0.569155763,0.691407571,0.586953254,160.6416075,202.1537416,423.1651993,0.988178333,1.847516589,151.9904479,0.288448849,0.085706452,0.997544342,0.001893149,0.517637463,0.09440555,0.018332366,152.3646032,56.89275366,213.0148537,0.996316514,0.630375379,155.8946821,0.492952494,0.248685128,0.995265226,0.003147115,0.544569686,0.27576266,0.154344482,156.6363198,115.7399512,291.4873929,0.992897839,0.974676828,158.6217151,0.747551657,0.458583265,0.992453537,0.00467723,0.563784328,0.633402607,0.524841155,159.82785,191.6620047,405.8677072,0.988680306,1.722028091,157.6245175,0.596297309,0.331850362,0.994146124,0.003760878,0.556720609,0.403452916,0.274837551,158.5526651,146.4967102,336.2403478,0.991219186,1.235011076,159.6386204,0.811946348,0.510656433,0.991783097,0.00504436,0.571035759,0.746897634,0.650802321,160.9612232,211.5531089,438.7045949,0.987674645,1.968735714,159.7638643,0.759356697,0.467904468,0.99237684,0.004716761,0.571932254,0.653375271,0.546393926,160.9911255,196.4272926,414.1835402,0.988565259,1.771701451 +UMLCP0022,L,CCCCCCCCCCCCOCCOCCOCCOCCO,C12E4,6,0,-3.801,14.447601,86.4655,67.215306,0,0,67,25,42,0,20,0,5,0,0,0,0,0,0,0,4207.797113,4405.955316,4812.452315,4726.051106,4357.479373,4251.420468,4092.215531,3755.627558,3629.424781,10857.80919,13863.53395,17927.56009,18488.40868,17955.44783,17187.89632,15973.60656,15344.20243,14583.20789,499.744388,504.706776,955.452596,1204.914896,1100.935732,1176.94056,1049.344412,955.603856,995.320684,77.667762,100.0776447,139.5457149,153.9900756,152.0860556,143.9921039,132.7847179,129.3190167,121.7617185,11229.68494,9745.21403,20050.31422,27099.807,25091.141,26924.08055,23612.62583,21737.76572,22702.78775,173.75,154.5,267.25,322,250.75,286.5,281.25,222,245.75,62.80294199,66.75689873,38.49961852,29.17315498,28.48025734,26.57137793,29.02280518,28.45172392,26.88462801,162.0568535,210.0535446,143.4204807,114.1259795,117.3558681,107.424352,113.2879898,116.2439578,108.0237622,7.458871463,7.647072364,7.643620768,7.437746272,7.195658379,7.3558785,7.44215895,7.239423152,7.372745807,1.159220328,1.51632795,1.116365719,0.950556022,0.994026507,0.899950649,0.941735588,0.97968952,0.901938656,167.6072378,147.654758,160.4025138,167.2827593,163.9943856,168.2755034,167.4654314,164.6800434,168.1687981,2.593283582,2.340909091,2.138,1.987654321,1.638888889,1.790625,1.994680851,1.681818182,1.82037037,0.915559094,-0.227047234,-0.496473321,0.404221774,-0.056017166,-0.286633947,0.311114165,-0.054835481,-0.194413787,2245.957895,44.1626276,-975.6629315,-25.05609884,143.5381161,123.7039182,-27.33534292,86.92302672,59.77582175,3135.459991,-297.7098926,-1224.16102,138.4643095,-396.1189586,268.6565503,105.4574381,-273.5209181,163.5715129,5.062911642,-0.010016483,-1.735749302,2.234295314,0.566721534,-0.7482321,1.519211381,0.221288467,-0.701576114,13.79966858,-2.620819956,-4.585538085,2.830514797,-3.617051871,0.782500592,2.07897396,-2.540394266,0.401086932,76.83859546,-16.53530584,-24.09063828,20.39798154,-22.66142637,3.12925921,14.89339386,-16.0384325,1.243263731,46.04477612,-1.342615282,-13.59846291,13.65292938,5.32312319,-4.950211628,10.18935175,2.814769436,-4.993205614,0.013665061,-0.00344011,-0.003971787,0.002495196,-3.66E-04,-0.001791462,0.002206483,-4.15E-04,-0.001440102,33.52175963,0.669130721,-7.805303452,-0.154667277,0.938157621,0.773149489,-0.19386768,0.658507778,0.442783865,46.79791031,-4.510755948,-9.793288162,0.85471796,-2.589012802,1.679103439,0.747925093,-2.072128168,1.211640836,0.075565845,-1.52E-04,-0.013885994,0.013791946,0.003704062,-0.004676451,0.010774549,0.001676428,-0.00519686,0.205965203,-0.039709393,-0.036684305,0.017472314,-0.023640862,0.004890629,0.014744496,-0.019245411,0.002971014,1.146844708,-0.250534937,-0.192725106,0.125913466,-0.148113898,0.01955787,0.105626907,-0.121503276,0.009209361,0.687235464,-0.020342656,-0.108787703,0.084277342,0.034791655,-0.030938823,0.072264906,0.021324011,-0.036986708,-0.251744912,-0.290652675,0.182596779,-0.026792801,-0.131097999,0.161468977,-0.03040018,-0.105385707,0.019961086,-0.232842892,-0.004613937,0.027986527,0.023064108,-0.005783338,0.019644189,0.013208849,-0.096387978,-0.209267638,0.01826402,-0.055323257,0.035879881,0.015982019,-0.04427822,0.025890918,-0.002008379,-0.183760194,0.18251561,0.049017679,-0.061885771,0.142584904,0.022184993,-0.068772606,-0.192796612,-0.178109235,0.084831386,-0.114780854,0.023744927,0.071587317,-0.09344011,0.014424836,-0.218455851,-0.168048128,0.109791208,-0.129149044,0.017053634,0.092102188,-0.10594571,0.008030173,-0.029600707,-0.158297569,0.122632411,0.050625523,-0.045019246,0.105153051,0.031028682,-0.053819557,1.260622176,1.578402336,0.855465223,0.591295915,1.073107083,0.904099119,0.698644288,1.083209689,1.186926469,1.37460904,1.005193602,0.879180819,0.942236622,1.008797548,0.905598224,0.960663622,1.534656687,1.327804197,0.948131795,1.104737987,0.90563198,0.945021786,1.075650752,0.917234881,0.940207599,1.522172454,0.905323822,0.494840918,1.055990728,0.965227749,0.630184808,1.093670194,1.741436481,1.32975361,0.877645852,1.180449797,0.906726642,0.883965307,1.136468541,0.918024623,1.784094755,1.336469018,0.855356036,1.183685706,0.911798734,0.866465967,1.140471266,0.92382939,0.977309562,1.2585141,0.780842187,0.402847427,0.900346434,0.843767026,0.496799028,0.968863677,390.4660865,195.8580433,309.9684784,391.6160865,15.66464346,195.8580433,1.25,0.128663024,0.005146521,-5.126396272,310.4769072,12.41907629,14.34527381,390.5918762,195.919102,310.0654555,391.7384978,15.66953991,195.919102,1.246327895,0.128241712,0.005129668,-5.134596053,309.2810235,12.37124094,14.33562581,502.6739253,250.3394764,398.9426483,500.8385507,20.03354203,250.3394764,-1.99497239,0.154101094,0.006164044,-4.675366099,239.0635521,9.562542082,13.69182356,390.7238967,195.9831854,310.1672453,391.8669728,15.67467891,195.9831854,1.242474001,0.127799833,0.005111993,-5.143225117,308.0636134,12.32254454,14.32576575,622.2863884,308.4374585,496.7686808,617.3078348,24.69231339,308.4374585,-5.411471322,0.323399981,0.012935999,-2.822163479,280.8722125,11.2348885,14.09474952,403.6493679,202.2575194,320.1759602,404.4457852,16.17783141,202.2575194,0.865670929,0.08600929,0.003440372,-6.13324992,265.8316219,10.63326488,13.95715777,345.7000685,173.9013251,276.5436399,347.5687454,13.90274982,173.9013251,2.923809524,0.336902974,0.013476119,-2.71990075,363.1056449,14.5242258,14.73673456,0,11.99615143,16.0000045,-0.418379236,0.092923156,3.719718104,7.57482817,24,66,66,66,24,0,0,0,0,0,53.578694,3.54025456,3.477489426,3.428665236,3.347271016,3.243287834,3.132067006,2.986387566,2.862954546,1.941283143,1.851012293,1.729420038,1.703508181,1.641639914,1.555516829,1.495061146,1.423478252,3.560183145,3.445231208,3.354766894,3.282580947,3.212157872,3.091943825,2.969976835,2.877702381,1.884392118,1.799546243,1.747141451,1.683273406,1.623683989,1.531078232,1.435129056,1.358491393,3.6872099,3.607101426,3.569564974,3.490348351,3.404148348,3.303687325,3.175642639,3.077578021,1.706796906,1.599889392,1.488485435,1.438307964,1.374713106,1.264650539,1.171038462,1.088552944,3.579896489,3.462114833,3.337522242,3.283389125,3.214105152,3.093411866,2.988007288,2.899809532,1.849303988,1.779809993,1.746313181,1.675845194,1.600184128,1.510895921,1.400079792,1.314801338,3.744343396,3.652852305,3.605565621,3.530835831,3.459178324,3.358902761,3.244032823,3.157214923,1.652064845,1.543655122,1.453214547,1.387970425,1.322573041,1.208891052,1.099279206,1.012544784,4.564088492,3.835985271,3.731427966,3.616026048,3.561208366,3.460305823,3.335743212,3.218523941,1.782730331,1.666431451,1.494219593,1.449270572,1.374934135,1.286185524,1.232460378,1.168552979,0,0,0,0,0,10,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.26345597,12.41421356,8.424621202,5.707106781,3.858757211,2.603553391,1.75260191,1.176776695,0.730538239,0.517258898,0.366287878,0.259413945,0.183750343,0.13017767,0.092242206,0.065376483,16.5152356,10.33273562,6.355077056,3.993878589,2.517912416,1.563926593,0.978928916,0.612096869,0.660609424,0.430530651,0.276307698,0.181539936,0.119900591,0.07819633,0.051522575,0.034005382,34.9523794,66.29788784,62.98039216,63.96,39.17084192,517.6232671,0.521677305,0.989520714,0.940005853,0.954626866,0.584639432,7.725720404,3.966,102.2058,216.7319465,343.5502244,433.4638931,17.33855572,216.7319465,9.44E-16,3.77E-17,-86.49183602,2000153.321,80006.13285,36.27183599,864,1,0,5,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,20,0,0,0,0,0,0,0,0,0,0,0,1,0,19,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.693101919,0,29.93293601,0,0,3.521038639,0,0,3.692072478,0,0,3.76386161,0,0.693101919,0,0,0,0,0,0,0,0,0,0,0,0,0,8.336910306,0,0,0,0,0,0,0,0,0,0,0,2.266342485,0,18.30072151,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.52730467,0,21.40563134,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.693101919,0,5.080116704,0,0,3.521038639,0,0,3.692072478,0,0,3.76386161,0,0.693101919,0,0,0,0,0,0,0,0,0,0,0,0,0,0.216259609,0,0,0,0,0,0,0,0,0,0,0,2.266342485,0,0.05777392,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.52730467,0,5.080116704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.693101919,0,8.52730467,0,0,3.521038639,0,0,3.692072478,0,0,3.76386161,0,0.693101919,0,0,0,0,0,0,0,0,0,0,0,0,0,0.644513889,0,0,0,0,0,0,0,0,0,0,0,2.266342485,0,1.416153943,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.52730467,0,5.568173067,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,50.5,2.02,0.693101919,8.52730467,-0.042962273,0.05777392,9.800007719,1.44222608,2.52730467,20.39855699,1.44222608,2.52730467,20.39855699,11.66665,0.46667,0,0.03333,0.50647,0.85333,0.42987,0.50647,0.83205,0.0766,0,-0.0766,0.02128,0.54687,0.16742,0,0.07143,0,0,14.25,0.57,14.25,0.57,0,0,-14.25,-0.57,0,0,29.55525,1.18221,36.7671,7.21186,0.28847,10.06108,0.40244,12.41421,2.35313,0.09413,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,24.05,5,5,5,5,1,1,1,1.222424502,1.746563248,2.813796894,3.56112958,4.036040407,4.400034669,81.90244163,117.0197376,188.5243919,238.5956818,270.4147073,294.8023229,0.201517726,0.287922448,0.463856829,0.587055262,0.665344719,0.725349485,4.843664688,4.319525943,3.252292297,2.504959611,2.030048783,1.666054521,0.202241032,0.288955884,0.465521744,0.589162372,0.667732833,0.727952973,11.14262983,16.52899417,20.57363456,23.79700732,26.31183229,27.80787885,91.39331711,72.48558533,63.3557432,50.18798561,40.72602369,34.70950138,25,24,24,25,0,12,3.11,3.2201,0,2.256860144,0,0,27.86370573,0,0,0,0,0,0,0.602401336,1.321802152,0,0,0,0,0,0,0.259,1.229,1.279,1.122,0.29,11.972,23,22,21,20,19,18,17,16,15,220,3.218875825,3.17805383,3.135494216,3.091042453,3.044522438,2.995732274,2.944438979,2.890371758,2.833213344,2.772588722,5.398162702,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22,0.916666667,24,1,1,12,24,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.020833333,0.009661836,0.005681818,0.003809524,0.002777778,0.002148228,0.001736111,0.001452433,0.00125,0.001101928,0.062896819,216.7319465,343.5502244,433.4638931,17.33855572,216.7319465,9.44E-16,3.77E-17,-86.49183602,2000153.321,80006.13285,36.27183599,57.15,398.4272847,5.64385619,4.553876892,5.220355825,5.894402834,6.56948142,7.247792582,7.926241523,8.606485299,9.286653055,9.968010449,114.2732999,3.891820298,0,4.94875989,0,6.124683391,0,7.355641103,0,8.617762246,8.956995312,362.3032244,5.407510813,48.82842715,1.953137086,14.33038676,14.33038676,0,2600,22,4.643,94,1.243,2.131170012,2.850764164,3.622439014,4.855111284,5.917795953,7.162253932,8.192593862,9.500606119,10.60964031,95.27444592,89.84445992,100.7136897,130.7605183,153.3592549,201.3772425,231.7521076,250.1758453,302.7713191,332.2294027,284.9714747,323.7217432,359.1358295,497.2996207,577.4951386,743.1167431,898.4072821,959.6776753,1132.181857,1292.579149,9.584717843,16.34462533,21.32649427,26.41793696,35.96211159,44.48582845,52.16380913,60.81592206,71.12214431,77.86067642,1.998944418,2.48084916,2.884830391,4.023867436,4.675893576,5.991358306,7.379656358,7.812858021,9.205026916,10.60853936,181.7179999,338.8585249,473.5737126,580.2390004,808.0264176,978.5551528,1168.919374,1364.158132,1582.750859,1743.973763,3.027522727,4.651250555,5.951061363,6.436031377,9.069834608,12.51671088,12.50706218,15.49484633,19.65181789,19.05647618,0.455330214,0.585232853,0.668604466,0.911510434,1.102027011,1.399201057,1.688092736,1.848261713,2.167756764,2.457873829,899.6051029,2225.635265,39.91432245,247.4253824,-612.1337626,-45.00582421,652.1797205,2837.769027,84.92014666,0.784290491,1.940345347,0.034797961,0.215709509,-0.533668259,-0.039236816,1031.874478,2552.871498,45.78294465,283.8044565,-702.1360867,-51.62305238,0.084814565,0.159002983,1.491636164,6.036123179,1035.833429,111.1970565,0.903056581,0.096943419,1810.342627,42.54812131,12.18765801,2225.542039,47.17565091,13.05605389,3212.112231,56.67549939,14.75469502,5.600710185,5.600710185,27316.63091,27240.92799,142.3291877,1.002779014,191.9257135,191.3938275,9.058875676,15.08789805,29.34174185,0.944720316,12.14926087,17.67264857,19.74717532,73.49890189,21.350564,5.954307136,30.16250422,24.02405493,42.43749078,0.914369828,24.05151301,33.16284678,39.40686566,35.86856056,3.250736727,20.94220617,17.29403992,22.40708505,24.18745866,15.65595767,14.96934188,10.04743982,19.11737805,10.21345844,18.28787674,16.77584204,15.77984663,18.96337762,2.732557559,16.75477653,1.039509285,18.81551397,1.971562482,13.36280807,0.15370016,7.461713652,2.660964447,3.110160505,9.262760195,0.025252034,6.896547466,2.090623321,12.45084652,6.923409177,1.137829712,3.710568842,0.600523464,4.078916653,4.343389388,8.47047,3.311302827,2.559032847,3.142905518,1.894010013,3.887898839,3.357571527,4.202401483,3.158263691,0.739075588,3.328271657,3.236210858,16.6894274,3.977740982,18.64714545,1.575535299,4.420814744,7.314627782,3.556300042,13.44265144,0.114995249,7.779677368,7.09679121,12.94706021,11.05933263,1.041681557,5.876240478,2.458492218,5.928047378,7.339066723,7.395274539,4.503159584,2.294464369,4.805639258,3.18050327,5.403209011,4.840840128,4.638391932,4.703999406,0.623892568,4.784576948,11.69086957,18.81157478,23.11767642,68.59984893,19.02530077,7.90859405,28.82941216,22.48336326,40.19484198,0.827482744,24.51339953,30.83558919,39.24563017,33.86900044,3.319799259,20.33063532,15.72551754,23.17752108,22.80725155,16.63552532,14.67900281,10.56784617,18.14478012,9.667724762,18.91183946,16.24672405,15.64868008,18.40092944,2.813557638,16.42691732,4.70267811,15.8815251,4.560620487,24.22688057,3.414091877,3.742701466,10.61930323,5.037248512,16.91753459,0.203842064,8.986722677,10.91805769,15.48770873,14.3332393,1.148740844,7.600543229,4.193623755,7.226950279,9.662261502,7.920087342,5.538944783,2.479539608,6.375074953,4.162033699,6.459323865,6.139656064,5.663011334,6.123867521,0.674939865,6.021380442,14.85262219,18.39430658,27.84853732,98.42353415,31.1269908,7.27016666,38.21683262,33.97354948,54.49926176,1.272925922,30.79634066,42.50534844,50.40598496,45.5161134,4.149420117,27.04184108,23.73030514,29.86092234,30.51273891,19.01548373,19.45981626,13.98761824,25.11893593,12.81230069,23.98335671,21.67383544,20.45996129,25.10138386,3.803245867,21.74946212,9.398232147,22.46406237,26.7551414,45.22496526,9.190224586,18.63536606,20.24686307,15.2324964,28.33696686,0.445166173,22.97647259,19.82378294,41.14348492,23.87380807,3.381836282,15.18933407,8.834239835,21.87349526,16.24626952,24.13954685,11.40301586,11.71322137,12.61128063,7.341321333,18.82184253,12.18419053,16.71215985,13.68146301,3.776346423,12.72773364,77.13735045,0.80122887,0.49335054,0.98349423,0.010215596,0.557371732,0.690499041,0.5970105,78.43192986,100.2557123,209.1790105,0.975241345,1.844881273,76.74224115,0.300851257,0.091901338,0.994908244,0.003900321,0.551677245,0.097385292,0.020716407,77.13499374,30.16836303,109.4251748,0.992362365,0.669778944,75.65939302,0.508584239,0.256203439,0.989992857,0.006654756,0.536219247,0.278313505,0.161005483,76.4241807,57.99367255,144.2763502,0.984989286,0.975538235,77.48557589,0.771999001,0.470614368,0.984216411,0.009805878,0.562415387,0.64096882,0.54325173,78.72818926,96.64792629,203.5276963,0.976324617,1.746635937,75.49282808,0.609793864,0.336931849,0.987614714,0.007977465,0.533860831,0.400105503,0.278454913,76.43955379,71.67646042,163.6266932,0.981422071,1.212421246,77.4571299,0.833714214,0.519983227,0.982823459,0.010578676,0.562002513,0.747517778,0.663207492,78.81082734,105.2870359,217.6768774,0.974235188,1.972727784,77.84613656,0.781291821,0.477775389,0.984083636,0.009876617,0.567661682,0.656426743,0.559910102,79.10520377,98.38679998,206.5505656,0.976125454,1.783998527 +UMLCP0023,L,CCCCCCCCCCCCOCCOCCOCCOCCOCCO,C12E5,28.9,0,-3.9319,15.45983761,97.509,74.204478,0,0,74,28,46,0,22,0,6,0,0,0,0,0,0,0,4756.357612,4982.975767,5456.012862,5387.547925,4986.992432,4901.077399,4753.71235,4385.140617,4279.081712,12045.56874,15351.45632,19805.70447,20463.16923,20026.65164,19252.54317,17948.3671,17415.40625,16647.85474,555.050992,560.785588,1062.853008,1326.5767,1212.358928,1324.651756,1171.006216,1067.027052,1143.03188,85.66721762,109.9994019,152.4957699,168.5827804,168.2404417,159.6098363,147.3774228,145.4734028,137.379451,12408.39554,10791.18523,22206.85784,29631.74491,27489.273,30190.13007,26144.56373,24135.89773,25968.83727,194.5,173.25,302,362.75,279.5,327.25,322,250.75,286.5,64.27510286,68.25994201,39.53632509,30.43812387,29.68447876,27.38032066,30.47251506,29.83088855,27.78624488,162.777956,210.2939222,143.5195976,115.6111256,119.2062598,107.5561071,115.0536353,118.4721513,108.1029529,7.500689081,7.681994356,7.701833391,7.494783616,7.21642219,7.40028914,7.506450103,7.258687429,7.422284935,1.157665103,1.506841122,1.105041811,0.952445087,1.001431201,0.891675063,0.944727069,0.989614985,0.892074357,167.6810208,147.8244553,160.9192597,167.4109882,163.626625,168.6599445,167.5933572,164.1897805,168.6288135,2.628378378,2.373287671,2.188405797,2.049435028,1.663690476,1.828212291,2.064102564,1.705782313,1.86038961,1.080658417,-0.258573258,-0.609377021,0.497627859,-0.057189151,-0.378868047,0.40452025,-0.056007466,-0.286647889,2522.211493,69.5804562,-1093.446161,-53.72125156,174.6965773,168.3502939,-55.88993885,116.8610147,101.5656862,3451.454206,-353.246794,-1300.452478,170.0466181,-525.0629481,378.5660918,137.2379738,-401.3087804,271.9881518,6.001551135,-0.019875795,-2.24025482,2.658640663,0.733238288,-1.053765367,1.942146904,0.362177178,-1.015377011,15.17566056,-3.225161717,-4.788604716,3.562227218,-4.707765076,1.141127473,2.81053167,-3.632447493,0.760404071,84.68118612,-20.45744615,-25.18454586,25.63153268,-29.42055172,4.687791676,20.12355573,-22.82882598,2.814843056,51.13513514,-1.281957633,-16.63038714,15.28487947,6.463476991,-6.597151205,11.79620161,3.839663988,-6.700146092,0.014603492,-0.003542099,-0.004415776,0.002811457,-3.40E-04,-0.002116581,0.002593079,-3.81E-04,-0.00186135,34.08393909,0.953156934,-7.923522904,-0.303509896,1.039860579,0.940504435,-0.358268839,0.794972889,0.659517443,46.64127305,-4.838997178,-9.423568682,0.960715357,-3.125374691,2.114894368,0.879730602,-2.729991703,1.76615683,0.081102042,-2.72E-04,-0.016233731,0.015020569,0.004364514,-0.005886957,0.01244966,0.00246379,-0.006593357,0.205076494,-0.044180297,-0.034700034,0.020125578,-0.028022411,0.006375014,0.018016229,-0.024710527,0.004937689,1.144340353,-0.280238988,-0.182496709,0.144810919,-0.175122332,0.02618878,0.128997152,-0.155298136,0.018278202,0.69101534,-0.017561063,-0.120510052,0.086355251,0.038473077,-0.036855593,0.075616677,0.026120163,-0.043507442,-0.242551534,-0.302378053,0.192519488,-0.023310288,-0.144936653,0.177565647,-0.026089867,-0.127459235,0.027964988,-0.232470868,-0.008904778,0.030508815,0.027593772,-0.010511368,0.023323973,0.019349801,-0.103749252,-0.202043556,0.020597966,-0.067008778,0.045343839,0.018861634,-0.058531672,0.037866823,-0.003357143,-0.200164263,0.185205801,0.053815089,-0.072587042,0.153506117,0.030378894,-0.081297055,-0.215433259,-0.169205322,0.09813693,-0.136643701,0.031086029,0.087851261,-0.120494195,0.024077302,-0.244891293,-0.159477649,0.126545323,-0.153033432,0.022885482,0.112726211,-0.135709744,0.015972697,-0.025413421,-0.174395625,0.124968646,0.055676155,-0.05333542,0.109428362,0.037799686,-0.062961616,1.252826395,1.622474791,0.878021564,0.585032325,1.116811745,0.929495505,0.679781756,1.14316656,1.159229923,1.374718885,1.019218406,0.874773171,0.943914732,1.026355769,0.899401985,0.962404337,1.534587402,1.308356795,0.945689753,1.12863372,0.890378483,0.941924384,1.105046001,0.897417268,0.938438059,1.562172076,0.931417377,0.487058703,1.09325764,0.993606622,0.604077578,1.141600576,1.765822236,1.309140266,0.863603254,1.218099081,0.890482457,0.866775643,1.182782646,0.896956902,1.813627709,1.317989818,0.83896163,1.222641128,0.897402368,0.846415377,1.188647767,0.905113329,0.968023256,1.311210245,0.816629788,0.407882815,0.93710507,0.878516832,0.492858401,1.003484425,484.1447812,242.8223906,383.5232438,485.5376384,17.34062994,242.8223906,1.5,0.128820908,0.004600747,-5.738130014,450.6251045,16.09375373,17.10978007,484.3197997,242.9076966,383.6608548,485.708565,17.34673447,242.9076966,1.495593475,0.128388249,0.004585295,-5.747549959,453.8459441,16.20878372,17.12972187,640.0735551,318.8397941,508.7140776,637.8505858,22.78037806,318.8397941,-2.393966868,0.146688689,0.005238882,-5.374439558,306.0387176,10.9299542,16.02639254,484.503487,242.9972279,383.805292,485.8879581,17.35314136,242.9972279,1.490968801,0.127934548,0.004569091,-5.757462169,457.3736146,16.33477195,17.15140166,805.967279,399.7367567,644.750083,799.9373538,28.56919121,399.7367567,-6.493765586,0.300792326,0.010742583,-3.36373856,296.9166126,10.60416474,15.94166373,502.4845181,251.7616616,397.9918472,503.4491229,17.98032582,251.7616616,1.038805115,0.085392116,0.003049718,-6.889404216,387.1566999,13.827025,16.68472266,419.2533488,210.8737051,333.4398804,421.4980287,15.05350102,210.8737051,3.491341991,0.352926511,0.012604518,-2.916187197,556.3516417,19.86970149,17.69992152,0,11.99614144,16.00080635,-0.418391198,0.093304318,3.719668909,7.574839278,27,73,73,73,27,0,0,0,0,0,59.867522,3.540291691,3.483806989,3.442625323,3.381443891,3.292302199,3.199502853,3.087051882,2.956777038,1.941283144,1.851012413,1.732349039,1.711244306,1.667568303,1.598024912,1.527499275,1.477750368,3.560183177,3.445243527,3.364543785,3.304912516,3.24385898,3.160416991,3.043696261,2.948584247,1.884392263,1.799615128,1.755821519,1.703888372,1.648948368,1.584244079,1.492230883,1.417070826,3.687213196,3.60945157,3.581024303,3.520345353,3.441482093,3.364593456,3.25942768,3.151128094,1.706796913,1.599890865,1.495813636,1.451529586,1.404894569,1.323349657,1.224054949,1.152623176,3.579896494,3.462116117,3.345432718,3.297762314,3.247160772,3.158351865,3.048641141,2.968389283,1.849307589,1.782002589,1.756429763,1.70218503,1.632381377,1.564491565,1.471001611,1.378662135,3.744343764,3.653101092,3.615935659,3.556483744,3.489194302,3.418451216,3.315406333,3.222993503,1.652064869,1.543663285,1.462148956,1.407423763,1.35245458,1.272455626,1.164100822,1.079463311,4.569042548,3.849233315,3.774236963,3.661688862,3.604035412,3.515164303,3.438075231,3.307188902,1.781380259,1.665075361,1.49296807,1.457632067,1.403145106,1.32866717,1.260787354,1.215677881,0,0,0,0,0,12,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.38477631,13.91421356,9.485281374,6.457106781,4.389087297,2.978553391,2.017766953,1.364276695,0.728027725,0.515341243,0.364818514,0.258284271,0.182878637,0.129502321,0.09171668,0.064965557,18.33769745,11.41008589,6.967449492,4.365887057,2.737825619,1.688926593,1.054864826,0.656986464,0.654917766,0.422595774,0.267978827,0.174635482,0.114076067,0.073431591,0.047948401,0.03128507,38.75083411,73.40422433,69.78039216,70.88,43.24819042,571.8342982,0.52365992,0.991948977,0.942978272,0.957837838,0.584435006,7.727490516,3.9826,113.0248,271.9698511,431.0082386,543.9397021,19.42641793,271.9698511,3.05E-15,1.09E-16,-93.58332078,305.8444596,10.92301641,16.02461468,1094,1,0,6,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,22,0,0,0,0,0,0,0,0,0,0,0,1,0,21,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.692881627,0,35.41031565,0,0,3.519123878,0,0,3.686755133,0,0,3.747688809,0,0.692881627,0,0,0,0,0,0,0,0,0,0,0,0,0,9.725643639,0,0,0,0,0,0,0,0,0,0,0,2.26666596,0,19.32301839,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.538223855,0,26.8720918,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.692881627,0,5.078968383,0,0,3.519123878,0,0,3.686755133,0,0,3.747688809,0,0.692881627,0,0,0,0,0,0,0,0,0,0,0,0,0,0.217535119,0,0,0,0,0,0,0,0,0,0,0,2.26666596,0,0.049067215,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.538223855,0,5.078968383,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.692881627,0,8.538223855,0,0,3.519123878,0,0,3.686755133,0,0,3.747688809,0,0.692881627,0,0,0,0,0,0,0,0,0,0,0,0,0,0.656859568,0,0,0,0,0,0,0,0,0,0,0,2.26666596,0,1.414010377,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.538223855,0,5.592293312,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,57,2.035714286,0.692881627,8.538223855,-0.052508759,0.049067215,10.29289456,1.450932785,2.538223855,24.35396322,1.450932785,2.538223855,24.35396322,12.99998,0.46429,0,0.03571,0.51351,0.86429,0.43023,0.51351,0.84483,0.08328,0,-0.08328,0.01946,0.53719,0.1771,0,0.0641,0,0,16.25,0.58036,16.25,0.58036,0,0,-16.25,-0.58036,0,0,33.5656,1.19877,42.59547,9.02987,0.3225,11.05736,0.39491,13.91421,2.85685,0.10203,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,27.06,6,6,6,6,1,1,1,1.240519304,1.749776899,2.78458971,3.488868061,3.942014853,4.299737402,91.79842846,129.4834905,206.0596386,258.1762365,291.7090991,318.1805677,0.199779148,0.281792421,0.448443614,0.561863961,0.634840882,0.692450228,4.968934062,4.459676467,3.424863655,2.720585304,2.267438513,1.909715964,0.200412676,0.282686025,0.449865692,0.56364571,0.636854052,0.694646086,11.3735698,16.66276939,20.48992384,23.56764329,26.03380882,27.59305194,102.3954425,81.79484258,72.60750898,58.91428355,48.73056985,41.71972552,28,27,27.04,28,0,12,3.22,3.5606,0,2.244610725,0,0,0,0,0,0,0,0,0,0.639753249,1.892080006,0,0,0,0,0,0,0.259,1.44,1.505,1.307,0.304,13.33,26,25,24,23,22,21,20,19,18,253,3.33220451,3.295836866,3.258096538,3.218875825,3.17805383,3.135494216,3.091042453,3.044522438,2.995732274,2.944438979,5.537334267,1,0.481481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,25,0.925925926,27,1,1,14,27,0.928571429,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.018518519,0.008547009,0.005,0.003333333,0.002415459,0.001855288,0.001488095,0.001234568,0.001052632,9.18E-04,0.05572312,271.9698511,431.0082386,543.9397021,19.42641793,271.9698511,3.05E-15,1.09E-16,-93.58332078,305.8444596,10.92301641,16.02461468,66.38,441.8094807,5.807354922,4.672828834,5.342334252,6.018593214,6.695798917,7.375882148,8.05610966,8.737933858,9.41970949,10.10254331,121.4217337,4.007333185,0,5.068904202,0,6.248042875,0,7.481555702,0,8.745921121,9.084210095,406.3294392,5.490938367,54.82842713,1.958158112,17.33036889,17.33036889,0,3654,25,4.453,106,1.244068493,2.130090557,2.850046948,3.627942454,4.844841002,5.920446365,7.150885907,8.164043932,9.488343498,10.5895329,97.26789408,92.05877193,104.9179345,136.002444,157.6501919,210.8592665,242.3007086,257.7072827,319.5203976,349.8325003,285.1067742,323.4596679,363.6173904,504.6486145,577.0388156,753.5899841,913.3344155,957.4407885,1151.371478,1319.998869,9.642442355,16.46188669,21.49243492,26.54861237,36.11701696,44.91295955,52.24129279,61.0391708,71.75156423,77.89667771,1.984805957,2.452608546,2.889579234,4.050491635,4.621718355,6.004332504,7.434114772,7.700243952,9.234468696,10.73060008,182.1667407,339.8300528,473.8677965,579.9654209,808.2441588,980.1814848,1163.714225,1363.269858,1582.194433,1733.59546,3.077291096,4.758545678,6.143568269,6.551913735,9.250892565,12.96890832,12.68309718,15.79969943,20.41573287,19.26462057,0.45647783,0.585783263,0.675357947,0.923107349,1.102408158,1.415202436,1.710000932,1.846164904,2.195451359,2.497288376,1000.227894,2850.630888,46.03814644,271.1482767,-772.7675437,-54.07061972,729.0796173,3623.398432,100.1087662,0.786728521,2.242161647,0.036211271,0.213271479,-0.607819748,-0.042529207,1271.66591,3624.224182,58.53180233,344.7314577,-982.4782405,-68.74409744,0.07362588,0.138027408,1.307890483,6.395515507,1136.279243,135.0969271,0.89373961,0.10626039,2067.783994,45.47289296,12.73996954,2521.73155,50.21684528,13.61130035,3704.550253,60.86501666,15.47314149,5.788008884,5.788008884,37921.72701,37838.13052,156.8812421,1.002209319,241.7225061,241.1896413,9.699415272,16.55895378,32.83363366,0.982832617,13.26486327,19.38668785,23.26665886,79.53972965,21.88935787,7.334934176,35.45121453,28.64166036,43.94179707,0.914463714,30.53891708,33.26116595,51.27331483,35.8691401,3.561674885,24.86183474,17.59359721,25.34874504,24.18745866,21.86561227,15.20696661,12.70622369,20.01473165,10.21814079,23.60378456,16.77584208,30.19226148,18.96337763,4.526728461,19.70542685,1.133134303,20.78363042,2.344980017,14.10225147,0.15749868,9.311701329,3.00949412,3.933939135,9.35932435,0.025343482,8.356094734,2.09131645,16.37264005,6.923413287,1.535764668,3.939891513,0.610968537,4.53101025,4.343389388,12.44473191,3.312977469,4.167263799,3.15180488,1.897774021,4.524092343,3.357571543,7.410923238,3.158263691,2.083516194,3.360029579,3.538443143,18.18507281,4.64706489,20.05333658,1.615084027,5.504979937,8.502529574,4.285148242,13.77319486,0.115086759,9.576201294,7.104008037,16.97674348,11.05937523,1.257757502,6.678057697,2.489321291,6.545333793,7.339066723,10.72810654,4.520602545,3.381696979,4.87802966,3.184428032,6.346136596,4.840840143,8.600382673,4.703999407,1.467980221,5.029147191,12.74390731,20.77872045,27.44041423,74.42120746,19.50536947,9.756379958,33.75589305,26.87318136,41.59442748,0.827576413,31.07388429,30.92319209,51.10602932,33.86951682,3.732010853,23.96196754,15.99372968,26.85012951,22.80725155,23.40379981,14.89072287,13.97752116,18.94604786,9.672350531,25.05713097,16.24672409,29.60239854,18.40092945,5.131118947,19.06338497,5.148112781,17.19762731,5.252342662,26.19350644,3.499988802,4.656950713,12.43359441,5.970369424,17.42445799,0.20393375,11.18223572,10.93373216,20.27682999,14.33333177,1.295283233,8.848637593,4.249916874,7.821287381,9.662261502,11.39021798,5.576830686,3.317025816,6.526045428,4.166077211,7.488749302,6.13965608,10.77629828,6.123867523,1.300788719,6.525758808,16.19987366,20.26866522,32.96173473,106.2208831,31.91277109,8.931221686,44.91460834,40.55786977,56.4140899,1.273020995,39.14457809,42.64873772,65.52121058,45.51695851,4.528316193,32.10774402,24.16148443,34.12817058,30.51273891,26.39124992,19.80636622,17.59248801,26.41939479,12.81722509,31.69143792,21.6738355,39.17056527,25.10138388,6.18293042,26.01723378,10.14800739,25.18477945,31.86502461,49.63569261,9.450086282,22.64505846,23.46134412,18.39912818,29.31148241,0.446585989,28.78842651,19.92541209,52.95883565,23.94537637,4.083993717,17.48977014,8.995897297,26.37144341,16.29480204,33.34561897,11.53956495,16.53798067,13.04306278,7.367469373,25.41996911,12.22058844,28.51712692,13.72233368,7.182582052,14.06882734,96.72674997,0.792146698,0.49132257,0.98690474,0.008082287,0.561385132,0.689915201,0.594590568,98.01021924,124.5350105,260.1912374,0.980357111,1.845890901,94.94720537,0.296264693,0.090133725,0.995946881,0.003107663,0.540940731,0.096569753,0.020010559,95.33360379,36.7141534,134.5831742,0.993920322,0.657521043,94.80854861,0.502525342,0.25418427,0.99208175,0.005258452,0.539352192,0.277981201,0.159140943,95.56525822,71.87027403,179.5458109,0.988122625,0.976474336,96.87946515,0.761772875,0.467532542,0.987469974,0.007764575,0.563159965,0.638137774,0.538403998,98.10877056,119.4506049,252.0633466,0.981204961,1.739701737,94.99443306,0.60392218,0.335664223,0.99020591,0.006295183,0.541464798,0.401438314,0.277520261,95.93401946,89.45819274,204.6490153,0.985308865,1.220423373,97.04895689,0.823942791,0.517727159,0.986363844,0.0083742,0.565130329,0.746186762,0.660216665,98.39062684,130.6342467,270.4237809,0.979545766,1.971533755,97.40567312,0.771576825,0.475345007,0.987360476,0.007821151,0.569293009,0.654468176,0.556547787,98.65259496,121.8240255,256.2016308,0.981040714,1.780308971 +UMLCP0024,L,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO,C12E6,51,0,-4.0628,16.50634384,108.5525,81.19365,0,0,81,31,50,0,24,0,7,0,0,0,0,0,0,0,5304.918111,5559.996218,6099.573409,6049.044744,5616.505491,5550.73433,5415.209169,5014.653676,4928.738643,13233.3283,16839.37869,21683.84885,22437.92978,22097.85546,21317.19002,19923.12765,19486.61006,18712.50159,610.357596,616.8644,1170.25342,1448.238504,1323.782124,1472.362952,1292.66802,1178.450248,1290.743076,93.66667324,119.9211592,165.4458249,183.1754852,184.3948278,175.2275687,161.9701276,161.6277889,152.9971834,13587.10615,11837.15644,24363.40145,32163.68281,29887.40501,33456.1796,28676.50163,26534.02973,29234.8868,215.25,192,336.75,403.5,308.25,368,362.75,279.5,327.25,65.49281619,69.49995272,40.39452589,31.50544138,30.69128684,28.03401177,31.66788988,30.95465232,28.48981875,163.3744235,210.4922336,143.601648,116.8642176,120.7533085,107.6625759,116.5095184,120.2877164,108.1647491,7.535278963,7.710805,7.750022649,7.542908875,7.233782098,7.436176525,7.559462105,7.274384247,7.460942636,1.156378682,1.49901449,1.095667714,0.954038986,1.00762201,0.884987721,0.947193728,0.9977024,0.884376783,167.7420512,147.9644555,161.3470295,167.5191813,163.319153,168.970604,167.69884,163.790307,168.987785,2.657407407,2.4,2.23013245,2.1015625,1.68442623,1.858585859,2.121345029,1.725308642,1.891618497,1.245757741,-0.290099281,-0.722280722,0.591033945,-0.058361136,-0.471102147,0.497926335,-0.057179451,-0.378881989,2797.612782,94.53568622,-1212.733291,-86.700384,202.92986,212.151362,-88.998592,143.8638013,142.7409029,3767.244624,-408.7355453,-1375.9928,200.5434686,-656.0146672,489.4151512,167.8459535,-531.3570332,381.5394406,6.934747556,-0.034644796,-2.768045048,3.056100016,0.897187523,-1.378758025,2.337028938,0.503516741,-1.348888285,16.55163828,-3.829655911,-4.992708788,4.293916573,-5.797334952,1.498699773,3.542089354,-4.723129481,1.118542921,92.52270702,-24.38342756,-26.30315192,30.86077677,-36.15648075,6.221817619,25.349719,-29.59089611,4.359330672,56.20987654,-1.231976833,-19.74310319,16.81115684,7.581390032,-8.309327846,13.29766804,4.858024691,-8.466773358,0.015379725,-0.003626241,-0.004783316,0.003078302,-3.19E-04,-0.002379304,0.00291185,-3.53E-04,-0.002190069,34.53842941,1.181696078,-8.031346297,-0.4515645,1.108906339,1.071471525,-0.520459602,0.888048156,0.825091924,46.50919288,-5.109194316,-9.112535102,1.044497232,-3.584779602,2.471793693,0.981555284,-3.279981686,2.205430292,0.085614167,-4.33E-04,-0.018331424,0.015917188,0.004902664,-0.006963424,0.013666836,0.003108128,-0.007797042,0.204341213,-0.047870699,-0.033064297,0.022364149,-0.031679426,0.007569191,0.020713973,-0.02915512,0.006465566,1.142255642,-0.304792844,-0.174193059,0.160733212,-0.197576398,0.031423321,0.148243971,-0.182659853,0.025198443,0.693949093,-0.01539971,-0.130749028,0.087558109,0.041428361,-0.041966302,0.077764141,0.029987807,-0.048940886,-0.235780612,-0.311014402,0.200153238,-0.020735956,-0.15470392,0.189330425,-0.022949667,-0.142399768,0.034213949,-0.232533628,-0.013074263,0.032106449,0.03102259,-0.015069,0.025711886,0.023889098,-0.109853429,-0.195929762,0.022457866,-0.077076797,0.053146347,0.021104543,-0.070523298,0.047419234,-0.005058274,-0.214116714,0.185917683,0.057264635,-0.081334954,0.159632878,0.036303898,-0.091071868,-0.234268448,-0.161809241,0.109445121,-0.155031995,0.03704192,0.10136953,-0.14267861,0.031641028,-0.266834177,-0.152499189,0.140715621,-0.172970384,0.027509885,0.12978178,-0.159911535,0.022060248,-0.022191412,-0.188412996,0.126173677,0.059699424,-0.060474612,0.112060296,0.043213266,-0.070525183,1.247096952,1.65524912,0.895960643,0.580754432,1.147143156,0.948126056,0.665675905,1.181793043,1.137347962,1.375283852,1.031328905,0.871597964,0.945283867,1.040750207,0.894626464,0.963378899,1.534612753,1.292168639,0.943576829,1.148789696,0.878064142,0.939400747,1.129323465,0.882057432,0.937882734,1.592979811,0.952740281,0.482025261,1.119591446,1.015066637,0.585336162,1.17235989,1.786154999,1.291875338,0.851536188,1.249832465,0.877305033,0.852454602,1.220990491,0.880575821,1.838175314,1.302592539,0.824989412,1.255391846,0.885757193,0.829783678,1.228221375,0.890568643,0.960685262,1.354903179,0.846900395,0.412194446,0.96679512,0.907209821,0.489786954,1.030407443,587.999214,294.874607,465.1107087,589.6363108,19.02052615,294.874607,1.75,0.124748534,0.004024146,-6.452511418,407.9738133,13.16044559,18.63472927,588.230317,294.987588,465.2945666,589.8626045,19.02782595,294.987588,1.744859054,0.124321745,0.004010379,-6.463135305,407.3731821,13.14107039,18.63016199,793.6888281,395.4479334,631.264197,791.0760579,25.51858251,395.4479334,-2.792961346,0.137239498,0.004427081,-6.156685923,342.0508852,11.03389952,18.08837449,588.4728662,295.1061649,465.487541,590.1001063,19.0354873,295.1061649,1.739463602,0.123874261,0.003995944,-6.474313584,406.7561152,13.12116501,18.62546272,1012.190394,502.3071669,810.3527879,1005.103112,32.42268102,502.3071669,-7.57605985,0.277455668,0.008950183,-3.974491753,647.0954819,20.8740478,20.06473097,612.2126839,306.7123116,484.4233595,613.3464336,19.78536882,306.7123116,1.211939301,0.082183383,0.002651077,-7.746286675,385.2004494,12.42582095,18.45666792,499.9889747,251.4361361,395.8190871,502.6103674,16.21323766,251.4361361,4.05952381,0.354492735,0.01143525,-3.214909027,405.6193321,13.08449458,18.61678685,0,11.99613296,16.00167054,-0.418402594,0.093793759,3.71966188,7.574843602,30,80,80,80,30,0,0,0,0,0,66.15635,3.540302914,3.488393712,3.452964036,3.404909158,3.332148857,3.247974735,3.159946719,3.048744106,1.941283144,1.851012424,1.734642841,1.716344453,1.684329585,1.629796707,1.563954122,1.509573008,3.560183179,3.445246125,3.370802488,3.322878786,3.265940811,3.204968394,3.112221667,3.008616512,1.884392277,1.799639354,1.761447041,1.719866303,1.668615591,1.618620493,1.545963525,1.463937535,3.6872138,3.61127907,3.588581772,3.541632062,3.473782276,3.404276514,3.325617734,3.223734665,1.706796913,1.599891065,1.50066134,1.463068431,1.423229069,1.364003126,1.279647016,1.196512118,3.579896495,3.46211628,3.350652994,3.310254248,3.267169566,3.202892292,3.110768052,3.017861546,1.849308297,1.783722115,1.763141913,1.721040315,1.660456518,1.59932284,1.528988003,1.439272002,3.744343807,3.653219894,3.622681037,3.575529809,3.514438933,3.455991937,3.377634653,3.282358065,1.652064871,1.543664887,1.467902554,1.423492294,1.372395927,1.314581551,1.226772585,1.13218048,4.57318433,3.857830366,3.801790681,3.713285463,3.621370491,3.581105791,3.486229143,3.411050585,1.780252143,1.663942223,1.491863157,1.46243487,1.421148464,1.361651534,1.294719105,1.244672577,0,0,0,0,0,14,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.50609665,15.41421356,10.54594155,7.207106781,4.919417382,3.353553391,2.282931996,1.551776695,0.726003118,0.513807119,0.363653157,0.257396671,0.182200644,0.128982823,0.09131728,0.064657362,20.16015931,12.48743616,7.579821927,4.737895525,2.957738821,1.813926593,1.130800737,0.701876058,0.65032772,0.416247872,0.26137317,0.169210554,0.109545882,0.069766407,0.045232029,0.029244836,42.54928883,80.51056082,76.58039216,77.8,47.32553892,626.0453293,0.525299862,0.993957541,0.94543694,0.960493827,0.584265913,7.728954683,3.9992,123.8438,333.4611072,528.3671745,666.9222145,21.51361982,333.4611072,5.00E-16,1.61E-17,-109.2214418,2000229.343,64523.52719,44.97719445,1350,1,0,7,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,24,0,0,0,0,0,0,0,0,0,0,0,1,0,23,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.692310956,0,40.9029233,0,0,3.516642801,0,0,3.682923652,0,0,3.740461675,0,0.692310956,0,0,0,0,0,0,0,0,0,0,0,0,0,11.12149427,0,0,0,0,0,0,0,0,0,0,0,2.26684249,0,20.33023421,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.547834548,0,32.35508875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.692310956,0,5.079571213,0,0,3.516642801,0,0,3.682923652,0,0,3.740461675,0,0.692310956,0,0,0,0,0,0,0,0,0,0,0,0,0,0.218575701,0,0,0,0,0,0,0,0,0,0,0,2.26684249,0,0.043024691,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.547834548,0,5.079571213,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.692310956,0,8.547834548,0,0,3.516642801,0,0,3.682923652,0,0,3.740461675,0,0.692310956,0,0,0,0,0,0,0,0,0,0,0,0,0,0.665124031,0,0,0,0,0,0,0,0,0,0,0,2.26684249,0,1.412177816,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.547834548,0,5.608226984,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,63.5,2.048387097,0.692310956,8.547834548,-0.059055386,0.043024691,10.77844884,1.456975309,2.547834548,28.33953158,1.456975309,2.547834548,28.33953158,14.33331,0.46236,0,0.03764,0.51934,0.87312,0.43053,0.51934,0.85521,0.08882,0,-0.08882,0.01791,0.52956,0.18473,0,0.05814,0,0,18.25,0.58871,18.25,0.58871,0,0,-18.25,-0.58871,0,0,37.66567,1.21502,48.57994,10.91427,0.35207,12.05365,0.38883,15.41421,3.36057,0.10841,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,30.07,7,7,7,7,1,1,1,1.254869831,1.747806118,2.747647473,3.411441614,3.841677597,4.187237423,101.6444563,141.5722956,222.5594454,276.3267707,311.1758853,339.1662313,0.197933678,0.275685721,0.433393136,0.538095004,0.605957175,0.660463169,5.084980172,4.592043885,3.592202529,2.928408389,2.498172406,2.152612579,0.198494796,0.276467257,0.434621753,0.539620439,0.607674991,0.662335503,11.55547285,16.71526158,20.33814829,23.26558923,25.64878907,27.20563072,113.4520224,91.41582772,82.22903706,68.2335477,57.58962886,49.95029462,31,30,30,31,0,12,3.33,3.9011,0,2.231458051,0,0,0,0,0,0,0,0,0,0.668048377,2.491141646,0,0,0,0,0,0,0.259,1.651,1.731,1.492,0.318,14.688,29,28,27,26,25,24,23,22,21,286,3.433987204,3.401197382,3.36729583,3.33220451,3.295836866,3.258096538,3.218875825,3.17805383,3.135494216,3.091042453,5.659482216,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,28,0.933333333,30,1,1,15,30,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.016666667,0.007662835,0.004464286,0.002962963,0.002136752,0.001632653,0.001302083,0.001073537,9.09E-04,7.87E-04,0.049958551,333.4611072,528.3671745,666.9222145,21.51361982,333.4611072,5.00E-16,1.61E-17,-109.2214418,2000229.343,64523.52719,44.97719445,75.61,485.1916766,5.95419631,4.779123493,5.451038454,6.12905021,6.807934944,7.489412084,8.171034189,8.854093908,9.537122958,10.22110457,128.4399148,4.110873864,0,5.176149733,0,6.357842267,0,7.593374193,0,8.859505485,9.197052478,450.3556539,5.559946345,60.82842713,1.962207327,20.33036666,20.33036666,0,4960,28,4.263,118,1.24495,2.129196968,2.849441797,3.63254369,4.836541785,5.922631792,7.141623071,8.141765084,9.478533401,10.57370366,98.91248881,93.89181168,108.4652661,140.3850376,161.1176158,218.6777775,250.8958649,263.5844159,332.9196604,363.690258,285.2183962,323.242718,367.3987075,510.7928552,576.6700697,762.2258144,925.497265,955.6952409,1166.723174,1341.584606,9.690065077,16.55895734,21.63244734,26.65786558,36.24219303,45.26515537,52.30442763,61.21338225,72.25510016,77.92501915,1.973141728,2.429230554,2.893586069,4.072751212,4.577940398,6.015030527,7.478488295,7.612365922,9.25802212,10.82669044,182.5369519,340.6342978,474.1159297,579.7366905,808.4201114,981.5224955,1159.472991,1362.576697,1581.749293,1725.425307,3.11835,4.847366145,6.305995971,6.648798986,9.397202025,13.34177288,12.8265331,16.03759058,21.02686486,19.42847892,0.457424614,0.586238901,0.681056197,0.932803131,1.102716156,1.428396556,1.727852056,1.844528666,2.217607035,2.52831685,1086.386367,3504.627213,51.21740935,277.9832042,-896.7596905,-56.51241715,808.4031628,4401.386904,107.7298265,0.796255201,2.568678815,0.037539249,0.203744799,-0.657270368,-0.041420168,1482.232502,4781.606728,69.87947483,379.2718251,-1223.511634,-77.10382235,0.065045162,0.121941023,1.143951115,4.754183653,1222.614693,141.7548783,0.896102287,0.103897713,2325.225361,48.22059064,13.2481433,2817.921061,53.08409424,14.12460379,4198.840575,64.79846121,16.13280168,6.303794213,6.303794213,50991.9442,50898.69728,173.190134,1.00183201,294.4275348,293.889127,10.33865365,18.5448573,36.30859115,0.957879241,14.38046568,21.10072713,26.7861424,85.58055741,22.42815173,8.715561216,40.73992484,33.25926579,45.44610336,0.9145576,37.02632115,33.35948511,63.139764,35.86971964,3.872613042,28.78146331,17.8931545,28.29040503,24.18745866,28.07526686,15.44459134,15.36500755,20.91208525,10.22282314,28.91969237,16.77584213,44.60467633,18.96337765,6.320899363,22.65607718,1.226759322,22.75174686,2.718397553,14.84169486,0.1612972,11.16168901,3.358023793,4.757717766,9.455888506,0.02543493,9.815642002,2.092009579,20.29443359,6.923417397,1.933699625,4.169214183,0.62141361,4.983103847,4.343389388,16.41899382,3.314652111,5.775494752,3.160704241,1.901538028,5.160285848,3.35757156,10.61944499,3.158263691,3.427956801,3.3917875,3.840675429,19.68071822,5.316388797,21.45952771,1.654632754,6.589145131,9.690431367,5.013996441,14.10373829,0.11517827,11.37272522,7.111224864,21.00642674,11.05941784,1.473833447,7.479874916,2.520150363,7.162620207,7.339066723,14.06093854,4.538045506,4.468929588,4.950420063,3.188352795,7.289064181,4.840840158,12.56237341,4.703999408,2.312067875,5.273717434,13.79694505,22.74586613,31.76315205,80.24256599,19.98543818,11.60416587,38.68237394,31.26299946,42.99401299,0.827670081,37.63436906,31.010795,62.96642846,33.8700332,4.144222447,27.59329975,16.26194183,30.52273794,22.80725155,30.17207431,15.10244293,17.38719616,19.74731561,9.676976299,31.20242248,16.24672413,43.55611701,18.40092946,7.448680256,21.69985262,5.593547452,18.51372952,5.944064836,28.16013232,3.585885727,5.571199959,14.2478856,6.903490335,17.93138139,0.204025437,13.37774876,10.94940663,25.06595125,14.33342425,1.441825622,10.09673196,4.306209994,8.415624483,9.662261502,14.86034862,5.614716589,4.154512024,6.677015903,4.170120722,8.518174739,6.139656097,15.88958522,6.123867525,1.926637574,7.030137174,17.54712513,22.14302385,38.07493214,114.0182321,32.69855138,10.59227671,51.61238406,47.14219006,58.32891804,1.273116068,47.49281551,42.79212699,80.6364362,45.51780363,4.90721227,37.17364696,24.59266371,38.39541881,30.51273891,33.76701611,20.15291619,21.19735777,27.71985364,12.8221495,39.39951912,21.67383555,57.88116924,25.1013839,8.562614973,30.28500543,10.89679688,27.90776872,36.9869322,54.04567769,9.706624815,26.66537191,26.68167271,21.57388889,30.276615,0.447789169,34.61780314,20.01758563,64.81240296,24.00530394,4.787951505,19.79403936,9.153921,30.880819,16.33541212,42.58544704,11.67106424,21.38090228,13.47065949,7.390058465,32.04152487,12.25104477,40.37253646,13.75653264,10.60389804,15.41020947,118.4562893,0.793984789,0.489645113,0.98927985,0.006630911,0.564484811,0.690379122,0.592588899,119.7399193,152.4428059,318.2350682,0.983919775,1.847452832,115.0826909,0.295771038,0.08871169,0.996670199,0.002561516,0.53279019,0.095843868,0.019451467,115.4671736,44.2735453,162.7602987,0.995005298,0.648085525,116.0580059,0.50256858,0.25252561,0.993535877,0.004302331,0.541859197,0.276723547,0.157616442,116.8131,87.76163741,219.3038258,0.990303816,0.976199186,118.3691948,0.762381156,0.464994757,0.989737365,0.006374607,0.563655074,0.636475159,0.53442501,119.5965707,145.6380017,307.1968355,0.984606048,1.734555243,116.6653893,0.60525231,0.334615023,0.992008288,0.005146473,0.547545531,0.401349439,0.276746116,117.6052566,109.8525148,251.0856062,0.988012432,1.225641087,118.7725918,0.825780968,0.51586181,0.988830277,0.006874963,0.567503489,0.746676266,0.657744792,120.1142346,159.7763788,330.4864149,0.983245415,1.971924547,119.0802715,0.77318086,0.473337199,0.989640561,0.006425675,0.570447541,0.654568641,0.553773203,120.3267896,148.8016842,312.7089074,0.984460841,1.778789385 +UMLCP0025,L,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO,C12E7,64.7,0,-4.1937,17.58711969,119.596,88.182822,0,0,88,34,54,0,26,0,8,0,0,0,0,0,0,0,5853.47861,6137.016669,6743.133956,6710.541563,6246.01855,6200.391261,6076.705988,5644.166735,5578.395574,14421.08786,18327.30106,23561.99324,24412.69032,24169.05927,23381.83687,21897.88819,21557.81387,20777.14844,665.6642,672.943212,1277.653832,1569.900308,1435.20532,1620.074148,1414.329824,1289.873444,1438.454272,101.6661289,129.8429164,178.3958799,197.76819,200.5492139,190.8453011,176.5628324,177.782175,168.6149158,14765.81675,12883.12764,26519.94507,34695.62071,32285.53701,36722.22913,31208.43954,28932.16173,32500.93633,236,210.75,371.5,444.25,337,408.75,403.5,308.25,368,66.51680239,70.54042148,41.11667046,32.41807518,31.54554823,28.57323162,32.6704623,31.88794766,29.05414361,163.8759984,210.6586329,143.6706905,117.935702,122.0659559,107.7504003,117.7305817,121.7955586,108.2143148,7.564365909,7.734979448,7.790572146,7.584059459,7.248511717,7.465779484,7.603923785,7.287420588,7.491949333,1.155296919,1.492447315,1.087779755,0.955401884,1.012874818,0.879471434,0.94926254,1.004419068,0.878202687,167.7933722,148.0819269,161.7069821,167.6116943,163.0582677,169.2268623,167.7873093,163.4585409,169.27571,2.681818182,2.422413793,2.265243902,2.146135266,1.702020202,1.883640553,2.169354839,1.741525424,1.916666667,1.410857065,-0.321625304,-0.835184422,0.68444003,-0.059533121,-0.563336247,0.59133242,-0.058351436,-0.47111609,3072.365154,119.1410218,-1333.166757,-123.0066172,228.9142262,255.3593615,-125.5685954,168.658577,183.5564487,4082.879877,-464.1870842,-1450.961551,230.203706,-788.5002094,600.9916048,197.5626127,-663.1198701,491.9805063,7.863799818,-0.053137093,-3.313571843,3.432817337,1.059042773,-1.718243733,2.710590021,0.645370366,-1.696714694,17.92760512,-4.434266123,-5.197602753,5.025587652,-6.886034703,1.85547,4.273647119,-5.812767009,1.475786479,100.3634134,-28.31233053,-27.44056415,36.08668817,-42.87477629,7.737248592,30.57284536,-36.33136832,5.883327576,61.27272727,-1.190082645,-22.91735537,18.25619835,8.681818182,-10.07024793,14.71900826,5.871900826,-10.2768595,0.016032467,-0.003696843,-0.005092588,0.003306474,-3.01E-04,-0.00259602,0.003179207,-3.30E-04,-0.00245373,34.91324039,1.369437032,-8.129065592,-0.594234865,1.156132456,1.176771251,-0.675099976,0.952873316,0.95602317,46.39636224,-5.335483726,-8.847326531,1.112095198,-3.98232429,2.769546566,1.062164584,-3.746439944,2.56239847,0.089361362,-6.11E-04,-0.020204706,0.016583659,0.005348701,-0.007918174,0.014573065,0.00364616,-0.008837056,0.203722786,-0.050968576,-0.0316927,0.024278201,-0.034777953,0.008550553,0.022976597,-0.032840492,0.007686388,1.140493335,-0.325429087,-0.167320513,0.174331827,-0.216539274,0.035655523,0.164370136,-0.205261968,0.030642331,0.696280992,-0.013679111,-0.139739972,0.088194195,0.043847567,-0.046406673,0.079134453,0.033174581,-0.05352531,-0.230584767,-0.317642198,0.206236111,-0.018753966,-0.161922655,0.198298031,-0.020562596,-0.153047543,0.039224003,-0.232836182,-0.01702033,0.033114441,0.033705587,-0.019336503,0.027292606,0.027382826,-0.114997889,-0.190690091,0.023969448,-0.085832684,0.059693184,0.022893273,-0.080748571,0.055228435,-0.006834846,-0.226101147,0.185579744,0.059854738,-0.088608474,0.163080154,0.040802425,-0.098891238,-0.250185938,-0.155567771,0.119172733,-0.170712142,0.04197151,0.112783641,-0.161201858,0.037729643,-0.28534063,-0.146708892,0.152856507,-0.189864568,0.031263246,0.144121961,-0.179976473,0.026867611,-0.019645963,-0.200694796,0.12666466,0.062973953,-0.066649346,0.113653042,0.047645392,-0.076873145,1.242708435,1.680611104,0.910642063,0.577699818,1.169211076,0.962373327,0.654711395,1.20800299,1.119624519,1.376078359,1.04187398,0.869243529,0.946429142,1.052777117,0.890844021,0.963923942,1.534692505,1.278481815,0.941731514,1.166019483,0.867914093,0.937305447,1.149718747,0.869810931,0.937953174,1.617585919,0.970579589,0.478619015,1.139152861,1.031953721,0.571239337,1.193272142,1.8033677,1.277205115,0.841061847,1.276940016,0.866399483,0.840339278,1.253053936,0.867477795,1.858902164,1.289565459,0.812942598,1.28330938,0.876143005,0.81576462,1.261312071,0.878944421,0.954747774,1.391743414,0.87284974,0.415924827,0.991299621,0.931319996,0.487332143,1.051969353,702.0756898,352.0378449,554.812749,703.9580427,20.70464832,352.0378449,2,0.11854689,0.003486673,-7.250318783,841.2240449,24.74188367,22.89851729,702.3695985,352.1818616,555.0481837,704.2464217,20.71313005,352.1818616,1.994124633,0.118135991,0.003474588,-7.262124097,823.5995946,24.22351749,22.82652724,963.445013,480.1265286,766.5078433,960.4408192,28.24825939,480.1265286,-3.191955824,0.127417264,0.003747567,-7.004979326,480.8849784,14.14367584,20.99713558,702.6780635,352.3330109,555.2952883,704.5490831,20.72203186,352.3330109,1.987958402,0.11770521,0.003461918,-7.274544803,806.7781616,23.72876946,22.75636571,1240.754536,616.0480909,993.3968625,1232.605497,36.25310284,616.0480909,-8.658354115,0.255315095,0.007509268,-4.641873221,386.7023574,11.37359875,20.256028,732.8660381,367.1255558,579.5241362,734.1696367,21.59322461,367.1255558,1.385073487,0.077756144,0.002286945,-8.684204194,482.481672,14.19063741,21.00840598,588.0106408,295.6407249,463.9071278,591.0092024,17.3826236,295.6407249,4.628205128,0.346509176,0.010191446,-3.603476333,551.0942969,16.20865579,21.46048017,0,11.99612566,16.00257602,-0.418413464,0.094425407,3.719660123,7.574847094,33,87,87,87,33,0,0,0,0,0,72.445178,3.540306316,3.491742908,3.461142663,3.421461534,3.362771275,3.28831174,3.211077543,3.123165838,1.941283144,1.851012425,1.736406444,1.720132927,1.695590531,1.652579312,1.596730093,1.538825253,3.560183179,3.445246673,3.374998761,3.336419367,3.284774782,3.233881685,3.163371254,3.071878702,1.884392279,1.79964793,1.765255758,1.731717321,1.686089008,1.641404093,1.586277107,1.513383968,3.687213911,3.612727716,3.593877252,3.556799594,3.500210524,3.435599853,3.371374962,3.289376749,1.706796913,1.599891092,1.503978837,1.472686371,1.436077271,1.391641134,1.323923823,1.244890414,3.579896495,3.462116301,3.35421872,3.320638386,3.28115214,3.233022618,3.1594606,3.072676381,1.849308436,1.785091429,1.767873901,1.734551797,1.68373142,1.62651114,1.569586929,1.496167754,3.744343813,3.653277854,3.62727376,3.589372266,3.536506817,3.482081146,3.422439277,3.341565918,1.652064871,1.543665201,1.471775863,1.435830011,1.388906267,1.342122517,1.274481973,1.189068727,4.576698467,3.863816785,3.820470091,3.750713879,3.661190727,3.608742346,3.542750072,3.467060341,1.779295405,1.662981239,1.490902146,1.465331369,1.433100612,1.385341338,1.327417446,1.270753623,0,0,0,0,0,16,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,24.627417,16.91421356,11.60660172,7.957106781,5.449747468,3.728553391,2.548097039,1.739276695,0.724335794,0.512551926,0.362706304,0.256680864,0.181658249,0.128570807,0.091003466,0.064417655,21.98262116,13.56478643,8.192194363,5.109903993,3.177652024,1.938926593,1.206736647,0.746765653,0.646547681,0.411054134,0.256006074,0.164835613,0.105921734,0.066859538,0.043097737,0.027657987,46.34774354,87.61689731,83.38039216,84.72,51.40288743,680.2563605,0.526678904,0.99564656,0.947504456,0.962727273,0.584123721,7.730185915,4.0158,134.6628,401.2057142,635.6270286,802.4114283,23.60033613,401.2057142,1.11E-15,3.27E-17,-117.0763326,427.3780274,12.56994198,20.59607437,1634,1,0,8,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,26,0,0,0,0,0,0,0,0,0,0,0,1,0,25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.691617183,0,46.40684916,0,0,3.513989348,0,0,3.679649881,0,0,3.735919119,0,0.691617183,0,0,0,0,0,0,0,0,0,0,0,0,0,12.52280625,0,0,0,0,0,0,0,0,0,0,0,2.266931158,0,21.32621968,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.556209578,0,37.85063958,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.691617183,0,5.080830019,0,0,3.513989348,0,0,3.679649881,0,0,3.735919119,0,0.691617183,0,0,0,0,0,0,0,0,0,0,0,0,0,0.219440753,0,0,0,0,0,0,0,0,0,0,0,2.266931158,0,0.038585963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.556209578,0,5.080830019,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.691617183,0,8.556209578,0,0,3.513989348,0,0,3.679649881,0,0,3.735919119,0,0.691617183,0,0,0,0,0,0,0,0,0,0,0,0,0,0.672068475,0,0,0,0,0,0,0,0,0,0,0,2.266931158,0,1.410607171,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.556209578,0,5.61952205,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,70,2.058823529,0.691617183,8.556209578,-0.06382296,0.038585963,11.25855215,1.461414037,2.556209578,32.34756064,1.461414037,2.556209578,32.34756064,15.66664,0.46078,0,0.03922,0.52424,0.88039,0.43077,0.52424,0.86381,0.09347,0,-0.09347,0.01658,0.52338,0.19091,0,0.05319,0,0,20.25,0.59559,20.25,0.59559,0,0,-20.25,-0.59559,0,0,41.84904,1.23085,54.70581,12.85677,0.37814,13.04993,0.38382,16.91421,3.86429,0.11366,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,33.08,8,8,8,8,1,1,1,1.266529826,1.742909932,2.707643345,3.334370026,3.74253882,4.074227692,111.4546247,153.376074,238.2726144,293.4245622,329.3434162,358.5320369,0.1960745,0.269824039,0.419176718,0.516201769,0.579391352,0.630740897,5.192901793,4.716521687,3.751788273,3.125061593,2.716892799,2.385203927,0.196576274,0.270514546,0.420249432,0.517522779,0.580874071,0.632355024,11.70244396,16.71903493,20.15417961,22.93719556,25.2270036,26.75449418,124.547168,101.2699193,92.11056794,77.94959244,67.00508741,58.9494215,34,33,33.03225806,34,0,12,3.44,4.2416,0,2.218153319,0,0,0,0,0,0,0,0,0,0.69033221,3.11108609,0,0,0,0,0,0,0.259,1.862,1.957,1.677,0.332,16.046,32,31,30,29,28,27,26,25,24,319,3.526360525,3.496507561,3.465735903,3.433987204,3.401197382,3.36729583,3.33220451,3.295836866,3.258096538,3.218875825,5.768320996,1,0.484848485,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,31,0.939393939,33,1,1,17,33,0.941176471,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.015151515,0.006944444,0.004032258,0.002666667,0.001915709,0.001457726,0.001157407,9.50E-04,8.00E-04,6.89E-04,0.045233617,401.2057142,635.6270286,802.4114283,23.60033613,401.2057142,1.11E-15,3.27E-17,-117.0763326,427.3780274,12.56994198,20.59607437,84.84,528.5738726,6.087462841,4.875197323,5.549076085,6.228511004,6.908754779,7.591357047,8.274102002,8.958154135,9.642187721,10.32708723,135.3544273,4.204692619,0,5.272999559,0,6.456769656,0,7.693937326,0,8.961494323,9.29844282,494.3818687,5.617975781,66.82842712,1.965541974,23.33036638,23.33036638,0,6545,31,4.073,130,1.238754685,2.123539935,2.863787469,3.694775573,4.88662973,5.984458702,7.244788453,8.235705233,9.588225377,10.73047441,100.7525505,96.61492796,113.0580149,146.4432763,166.4576183,228.8089037,262.1729453,272.5626484,349.4314564,381.0610618,284.9239875,324.9303329,375.1142445,523.0635987,583.6795735,779.9810428,949.2594252,967.6604142,1196.595226,1380.012855,9.691700709,16.63164693,21.87450026,27.1848237,36.81464215,46.04230649,53.18007339,62.23799317,73.60042081,79.20453068,1.954814261,2.414600233,2.928964049,4.145963307,4.592094167,6.10125135,7.622982202,7.639731378,9.407594614,11.07087848,181.8196374,340.3417891,476.1790351,589.2386476,818.3720202,992.0186651,1174.199606,1381.140425,1600.527913,1746.687824,3.157432809,4.94554475,6.501462611,6.845631249,9.672548441,13.83528873,13.15872873,16.49524639,21.847864,19.8829636,0.457139546,0.588539307,0.693020935,0.954515998,1.116831077,1.457875887,1.768752479,1.869024834,2.267386959,2.593354554,1058.002732,3810.837996,51.27400184,179.2203669,-645.5368812,-48.46269895,878.782365,4456.374877,99.73670078,0.855143048,3.080154258,0.04144281,0.144856952,-0.521762713,-0.039170542,1308.985418,4714.856794,63.43737944,221.7355777,-798.6731405,-59.95917057,0.058255754,0.109212829,1.333842377,3.981129458,1097.563434,139.659665,0.887118447,0.112881553,2545.56977,50.45363981,13.65405564,3091.541511,55.60163227,14.56772364,4589.137289,67.74317153,16.6179335,6.890413585,6.890413585,69016.98472,68917.71243,182.6072648,1.001440447,377.9531158,377.4094776,11.01258936,20.49345727,40.71797577,0.986876847,21.78948729,25.70300422,25.13541904,91.27565611,50.33694446,2.629084776,63.33415604,25.30030166,64.58874813,0.281626643,22.52627498,43.5493187,11.95346344,43.18946265,0.001534212,60.77618049,22.24921351,60.55124475,30.76659044,0.144650054,45.1050819,10.32381821,55.8535718,16.47648728,8.843489974,24.15922061,3.134172735,24.08415078,2.697969908,42.1284581,1.854069752,28.4438518,2.590102361,18.96814076,0.356555514,2.752451929,5.930514708,0.262569978,11.27947861,0.001984452,23.41365991,2.445369833,5.026767788,7.717627452,2.58E-04,10.65346865,0.788759403,22.17943336,5.229586314,0.18720726,4.643467143,0.227468209,9.823111201,2.697717428,7.531577883,4.087994795,0.079985112,4.397279223,0.342803961,14.90581345,5.832565245,23.31278437,5.417559299,22.40473657,3.699632491,1.488503034,17.28575715,1.91431435,17.76964584,0.020672195,16.01961338,8.502180363,4.17574579,12.30767967,2.33E-04,16.76574784,3.216764487,21.14830444,8.70035035,0.115733881,8.217039511,1.143871035,14.2966094,4.514356112,5.949834456,5.961495449,0.304154277,6.196185458,0.490028286,15.58823928,20.8523299,28.45033995,29.22593402,86.67922852,44.85075811,3.445843192,60.44922967,22.57207966,63.05597096,0.25092491,26.83890188,40.28319208,12.0582399,40.75781203,0.001448574,64.56442246,20.24927743,64.79834396,29.04913349,0.18833051,42.18563456,9.301416077,56.54563354,15.62045406,10.04683064,23.31480266,2.815004416,23.39849337,2.898116909,45.9659273,8.51066145,21.36410497,6.339196236,27.92277657,8.031109915,1.277612591,24.99632547,4.076684753,22.73463606,0.044900477,13.31780584,13.33363061,4.569018511,16.10177377,3.06E-04,20.36233386,5.462095598,22.21970451,11.5046588,0.099968998,11.907464,2.112633962,17.85782786,5.990556041,5.41079229,7.74566547,0.578517557,7.933078051,0.592365067,16.50798368,26.5447185,27.45335236,34.85307869,124.1058388,73.40514596,3.317144586,77.16004629,36.85896397,84.83731565,0.410722954,26.42723182,56.87933755,15.90676618,55.79790538,0.00219037,79.86993106,30.45656707,78.68426688,39.54449409,0.171254692,61.82507332,14.57123857,74.22578276,21.29173351,10.31018015,32.12805337,4.500074503,31.81202499,3.822358699,54.23292355,16.20725347,37.07385107,33.19446271,62.42390353,21.81543334,7.4242176,43.14282167,11.08829412,49.06358834,0.122021453,39.4758952,25.28561291,13.00910338,28.47668639,0.001008256,62.98366508,11.57035521,68.21266514,20.60215838,0.394807284,27.10919198,4.94498438,49.98825667,11.50273394,12.99458089,17.14720008,1.477748792,17.76806881,2.820238053,51.11218857,147.0450526,0.782856934,0.469408934,0.991555708,0.005278969,0.565809891,0.709747899,0.598720656,148.2973185,184.5069806,386.8404208,0.987333562,1.874278445,141.7399262,0.285215152,0.084294555,0.997399823,0.002007011,0.525727613,0.094517676,0.019370545,142.1094359,52.39832078,197.91548,0.996099734,0.639615834,143.9774372,0.49318219,0.241586922,0.994922549,0.003408021,0.542453928,0.282358239,0.158980525,144.7122063,105.9093201,267.775915,0.992383824,0.983792692,146.6878132,0.749920536,0.445045522,0.991919505,0.005071047,0.563064162,0.651330891,0.538341888,147.8827793,175.6207067,372.4603641,0.987879258,1.752736941,145.0860099,0.596776375,0.320963114,0.993714275,0.004087404,0.550837888,0.413207652,0.280401092,146.0037494,133.3427038,307.1366924,0.990571412,1.244446632,147.3730667,0.8140706,0.494441677,0.991199231,0.005475262,0.568336437,0.767185896,0.664072442,148.681579,193.2419774,401.2427532,0.986798846,1.999594775,147.6283651,0.761338595,0.453483588,0.991838241,0.005115038,0.570307415,0.671090018,0.558915114,148.8431873,179.6874673,379.5000204,0.987757362,1.800312547 +UMLCP0026,L,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO,C12E8,77.9,0,-4.3246,18.70216516,130.6395,95.171994,0,0,95,37,58,0,28,0,9,0,0,0,0,0,0,0,6402.039109,6714.03712,7386.694503,7372.038382,6875.531609,6850.048192,6738.202807,6273.679794,6228.052505,15608.84742,19815.22343,25440.13762,26387.45087,26240.26309,25446.48372,23872.64874,23629.01769,22841.79529,720.970804,729.022024,1385.054244,1691.562112,1546.628516,1767.785344,1535.991628,1401.29664,1586.165468,109.6655845,139.7646737,191.3459348,212.3608949,216.7036,206.4630335,191.1555372,193.936561,184.2326482,15944.52736,13929.09885,28676.48868,37227.55862,34683.66901,39988.27865,33740.37744,31330.29374,35766.98585,256.75,229.5,406.25,485,365.75,449.5,444.25,337,408.75,67.38988536,71.42592681,41.73273731,33.2073801,32.27949112,29.02562793,33.52339705,32.67541559,29.51683652,164.303657,210.8002493,143.7295911,118.8623913,123.1937234,107.8240836,118.7693967,123.0678005,108.254954,7.589166358,7.755553447,7.82516522,7.619649153,7.261166742,7.490615864,7.641749393,7.29842,7.517371886,1.154374573,1.48685823,1.081050479,0.956580607,1.017387794,0.874843362,0.951022573,1.010086255,0.873140513,167.8371301,148.1819026,162.0140604,167.6917055,162.8341268,169.4418587,167.8625743,163.1786132,169.5117813,2.702631579,2.441489362,2.29519774,2.184684685,1.71713615,1.904661017,2.210199005,1.755208333,1.937203791,1.575956388,-0.353151328,-0.948088122,0.777846115,-0.060705106,-0.655570347,0.684738506,-0.059523421,-0.56335019,3346.612055,143.4753179,-1454.494021,-161.9323128,253.1325682,298.1383948,-164.8309259,191.7509006,224.1625814,4398.394265,-519.6092755,-1525.485284,259.2056124,-922.1839231,713.1425516,226.5859085,-796.2141001,603.131579,8.789624,-0.07452,-3.87292,3.7932,1.219176,-2.068808,3.067568,0.787736,-2.05524,19.30356351,-5.038966681,-5.403112017,5.757244029,-7.97405691,2.211616005,5.005205011,-6.901590665,1.832333834,108.2034854,-32.24350736,-28.59262648,41.30996866,-49.57935415,9.238236486,35.79361098,-43.05499493,7.391452096,66.32631579,-1.154459834,-26.13955679,19.63745152,9.768365651,-11.86853186,16.07800554,6.882603878,-12.11950139,0.016589015,-0.003756929,-0.00535643,0.003503811,-2.85E-04,-0.00277784,0.003406659,-3.10E-04,-0.002669906,35.22749531,1.526333169,-8.217480347,-0.729424832,1.188415813,1.263298283,-0.820054358,0.998702607,1.062381903,46.298887,-5.52775825,-8.618560927,1.167592849,-4.329501986,3.021790473,1.127293077,-4.146948438,2.858443502,0.092522358,-7.93E-04,-0.021880904,0.017086486,0.005723831,-0.008766136,0.015261532,0.004102792,-0.009740474,0.203195405,-0.053606029,-0.030526057,0.025933532,-0.037436887,0.009371254,0.024901517,-0.035945785,0.008684047,1.138984057,-0.343016036,-0.161540263,0.18608094,-0.232766921,0.03914507,0.178077667,-0.224244765,0.035030579,0.698171745,-0.012281488,-0.147681112,0.088456989,0.045860872,-0.050290389,0.079990077,0.035846895,-0.057438395,-0.226470897,-0.322890189,0.211212746,-0.017180074,-0.1674506,0.205356334,-0.018688139,-0.160944226,0.043327894,-0.233268936,-0.020706122,0.033735462,0.035861144,-0.023278815,0.028350088,0.030157747,-0.119392897,-0.186150499,0.025218594,-0.09351201,0.065267022,0.024348168,-0.089569074,0.061738925,-0.008568372,-0.236493151,0.184674136,0.061864301,-0.094746133,0.164949669,0.044343786,-0.105276975,-0.263815161,-0.150230053,0.127628534,-0.184240814,0.04611942,0.122549609,-0.176902547,0.042737416,-0.301159646,-0.141828379,0.16337449,-0.204363634,0.034368409,0.156347813,-0.196881391,0.030755987,-0.017590926,-0.211525478,0.126698036,0.065687092,-0.072031545,0.114570774,0.05134395,-0.082269722,1.239239411,1.700839396,0.922918925,0.575442022,1.18586442,0.973619516,0.645934526,1.226515263,1.104977649,1.376979168,1.051128577,0.867455941,0.9474053,1.062983082,0.887780775,0.964217958,1.534802985,1.266756987,0.940106548,1.180916771,0.859403839,0.935538262,1.167097786,0.859822869,0.938353222,1.63777103,0.985769585,0.476235225,1.154240357,1.045638163,0.560257237,1.208132589,1.81812734,1.26458608,0.831888488,1.300362823,0.857224105,0.829956446,1.280347775,0.856767968,1.876636192,1.278400359,0.802450752,1.307389155,0.868070885,0.80378711,1.289395011,0.869443574,0.94984923,1.423240594,0.895348014,0.419182289,1.011882026,0.951874495,0.485329296,1.069643275,826.408959,414.3294795,652.6793291,828.5373374,22.39290101,414.3294795,2.25,0.111469049,0.003012677,-8.117830767,528.9887581,14.29699346,23.20257857,826.7722935,414.5078418,652.971489,828.8944193,22.40255187,414.5078418,2.243390212,0.111079168,0.00300214,-8.130794786,528.6938227,14.28902224,23.20051507,1149.286656,572.8478528,914.394551,1145.889811,30.96999489,572.8478528,-3.590950303,0.117952764,0.003187913,-7.908642845,467.5013515,12.63517166,22.74538829,827.1536218,414.6950375,653.278127,829.2691856,22.41268069,414.6950375,2.236453202,0.110670451,0.002991093,-8.144434087,528.3914374,14.28084966,23.19839826,1491.51158,740.8854656,1193.770375,1482.297453,40.06209332,709.7827129,-9.740648379,0.235011394,0.006351659,-5.358048739,520.6162856,14.07071042,23.14354912,864.4686924,433.01345,683.3264088,865.9426726,23.40385602,433.01345,1.558207673,0.072891119,0.00197003,-9.689517353,525.3981718,14.19995059,23.17737867,683.3958112,343.526389,537.8585889,686.7718439,18.56140119,343.526389,5.197278912,0.332749607,0.008993233,-4.071350512,483.1135022,13.05712168,22.86693099,0,11.99611931,16.00350924,-0.418423844,0.095235977,3.719659028,7.574850497,36,94,94,94,36,0,0,0,0,0,78.734006,3.540307347,3.494224413,3.467794612,3.433680038,3.385869804,3.322011568,3.251255549,3.177840882,1.941283144,1.851012425,1.737759973,1.723196814,1.703435992,1.669127274,1.622502478,1.569353176,3.560183179,3.445246789,3.377930043,3.346502213,3.301276666,3.254418578,3.199978046,3.124555206,1.884392279,1.799650974,1.767934166,1.740512691,1.701087176,1.658871468,1.614978159,1.555197132,3.687213931,3.613889543,3.597787399,3.567844979,3.520857697,3.462932145,3.40436822,3.33936755,1.706796913,1.599891095,1.50633024,1.480329767,1.446579165,1.410622846,1.357033483,1.288859681,3.579896495,3.462116304,3.35674242,3.328873614,3.292548431,3.253656091,3.195622977,3.121344017,1.849308464,1.786191758,1.771391403,1.744429754,1.702081098,1.6503348,1.598702216,1.540398519,3.744343813,3.653306491,3.630521779,3.599550743,3.55465321,3.503743443,3.453692622,3.389229771,1.652064871,1.543665263,1.474489915,1.445111841,1.403490333,1.361245977,1.309092699,1.237697672,4.579717575,3.868210799,3.833729476,3.777685089,3.702896731,3.626071843,3.592811602,3.510893762,1.778473749,1.662155945,1.490067021,1.467134674,1.441339011,1.402444849,1.353547777,1.300083186,0,0,0,0,0,18,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26.74873734,18.41421356,12.66726189,8.707106781,5.980077554,4.103553391,2.813262082,1.926776695,0.722938847,0.511505932,0.361921768,0.256091376,0.181214471,0.128236043,0.09075039,0.06422589,23.80508301,14.6421367,8.804566799,5.481912461,3.397565227,2.063926593,1.282672558,0.791655247,0.643380622,0.406726019,0.251559051,0.161232719,0.102956522,0.064497706,0.041376534,0.026388508,50.14619825,94.72323379,90.18039216,91.64,55.48023593,734.4673916,0.527854718,0.997086672,0.949267286,0.964631579,0.584002483,7.731235701,4.0324,145.4818,475.2036712,752.7877988,950.4073424,25.68668493,475.2036712,3.41E-15,9.23E-17,-123.2503691,2000317.789,54062.64293,53.68262149,1944,1,0,9,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,28,0,0,0,0,0,0,0,0,0,0,0,1,0,27,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.690898792,0,51.91959359,0,0,3.511358612,0,0,3.676697489,0,0,3.732455066,0,0.690898792,0,0,0,0,0,0,0,0,0,0,0,0,0,13.92846309,0,0,0,0,0,0,0,0,0,0,0,2.266965912,0,22.3134405,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.563509636,0,43.35608396,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.690898792,0,5.082305329,0,0,3.511358612,0,0,3.676697489,0,0,3.732455066,0,0.690898792,0,0,0,0,0,0,0,0,0,0,0,0,0,0.220171214,0,0,0,0,0,0,0,0,0,0,0,2.266965912,0,0.035187075,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.563509636,0,5.082305329,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.690898792,0,8.563509636,0,0,3.511358612,0,0,3.676697489,0,0,3.732455066,0,0.690898792,0,0,0,0,0,0,0,0,0,0,0,0,0,0.677170516,0,0,0,0,0,0,0,0,0,0,0,2.266965912,0,1.409252717,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.563509636,0,5.62794028,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,76.5,2.067567568,0.690898792,8.563509636,-0.06744943,0.035187075,11.73440759,1.464812925,2.563509636,36.37311901,1.464812925,2.563509636,36.37311901,16.99997,0.45946,0,0.04054,0.52842,0.88649,0.43097,0.52842,0.87105,0.09745,0,-0.09745,0.01543,0.51829,0.196,0,0.04902,0,0,22.25,0.60135,22.25,0.60135,0,0,-22.25,-0.60135,0,0,46.10992,1.24621,60.96089,14.85097,0.40138,14.04621,0.37963,18.41421,4.368,0.11805,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,36.09,9,9,9,9,1,1,1,1.27619076,1.73637266,2.667007767,3.26010999,3.647692375,3.965366767,121.2381222,164.9554027,253.3657379,309.7104491,346.5307756,376.7098429,0.194249438,0.264293885,0.405946177,0.496222472,0.555216521,0.60356985,5.293664848,4.833482948,3.902847841,3.309745618,2.922163233,2.604488841,0.194701878,0.26490947,0.406891695,0.497378259,0.556509715,0.604975668,11.82364675,16.69300283,19.95695585,22.6049738,24.80051362,26.28700038,135.6705733,111.3046388,102.1841983,87.94473836,76.80238549,68.46282177,37,36,36,37,0,12,3.55,4.5821,0,2.20509994,0,0,0,0,0,0,0,0,0,0.708400186,3.74686121,0,0,0,0,0,0,0.259,2.073,2.183,1.862,0.346,17.404,35,34,33,32,31,30,29,28,27,352,3.610917913,3.583518938,3.555348061,3.526360525,3.496507561,3.465735903,3.433987204,3.401197382,3.36729583,3.33220451,5.866468057,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,34,0.944444444,36,1,1,18,36,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.013888889,0.006349206,0.003676471,0.002424242,0.001736111,0.001316656,0.001041667,8.51E-04,7.14E-04,6.12E-04,0.04129582,475.2036712,752.7877988,950.4073424,25.68668493,475.2036712,3.41E-15,9.23E-17,-123.2503691,2000317.789,54062.64293,53.68262149,94.07,571.9560685,6.209453366,4.96284463,5.638354669,6.318968114,7.00033446,7.68386398,8.367532417,9.052399184,9.737255857,10.42290615,142.1844595,4.290459441,0,5.361292166,0,6.546785411,0,7.785305183,0,9.054037378,9.390492911,538.4080834,5.66745351,72.82842712,1.968335868,26.33036635,26.33036635,0,8436,34,3.883,142,1.239592128,2.123407051,2.864228692,3.701037742,4.882892839,5.98766189,7.243629052,8.225218185,9.585269954,10.72781414,101.9607528,97.98468029,115.763614,149.7655892,168.9708771,234.5897423,268.4362097,276.6323591,358.9025793,390.6672876,285.0614099,324.8986517,378.1519469,527.8942756,583.695409,786.6627687,958.475423,967.0166143,1207.931095,1395.464755,9.727637086,16.70601052,21.98485021,27.28602703,36.9191734,46.30883442,53.2636223,62.38809666,73.97741041,79.28170137,1.946772338,2.398508824,2.933707216,4.164854743,4.563357706,6.112353334,7.659379234,7.585059658,9.429490746,11.14303739,182.1150727,341.0043835,476.4777182,589.5534328,818.855435,993.1891273,1172.0925,1381.428291,1600.784506,1742.508675,3.187566965,5.011054141,6.623845214,6.921645826,9.779701726,14.10832963,13.26897754,16.66258421,22.27845366,20.00676484,0.457908483,0.589056488,0.697616802,0.962259689,1.117546411,1.468115562,1.782568903,1.868917995,2.283943157,2.616032018,1138.412581,4528.474058,56.12180055,186.9159762,-743.5302134,-51.9998058,951.496605,5272.004271,108.1216063,0.858966311,3.416868996,0.042345576,0.141033689,-0.561015764,-0.039235407,1508.770704,6001.715991,74.37982496,247.7250812,-985.4218252,-68.91682761,0.05274974,0.098890634,1.214776526,3.571059483,1175.796388,149.532169,0.88717351,0.11282649,2797.797325,52.89420881,14.09090056,3383.672278,58.16934139,15.01283683,5071.220747,71.21250415,17.1805675,7.285768268,7.285768268,88564.17339,88456.03863,197.8058099,1.001222469,447.7329226,447.1862513,11.62166127,22.6181894,44.28408942,0.957897188,23.35727871,27.77939292,27.8140831,96.39643541,53.37567562,2.911069895,71.13180392,28.64642607,68.01247025,0.281003179,25.79238419,44.91977051,13.75955895,43.48073312,0.001563412,69.70062186,22.25056853,71.6274534,30.77206205,0.178267008,50.35426574,10.31584212,63.53983016,16.47526818,11.03976801,24.37798398,3.158770677,24.58587891,2.689482413,52.44999114,1.985642021,30.88558259,2.877866245,20.0671461,0.377957249,3.175032215,6.573066418,0.298980664,11.50854766,0.001980058,27.02536248,2.454215493,5.943771632,7.718001571,3.09E-04,11.84243101,0.787688321,26.27816118,5.227365805,0.232940382,4.717280169,0.226922142,10.94190322,2.695661789,9.449567763,4.090396524,0.09265019,4.408847494,0.341494599,18.26626948,6.257306312,25.07328083,5.963978894,23.61384227,3.922655869,1.681728244,19.3693754,2.166363764,18.38222259,0.020626429,18.44432875,8.601084547,4.881865702,12.32942766,2.60E-04,18.98503825,3.214205804,25.02625324,8.700203835,0.141378348,8.694017222,1.142056243,16.10107065,4.513132213,7.442229084,5.978999746,0.314110281,6.248924845,0.488299362,19.15311822,22.33217871,30.89159424,32.46880435,91.7974316,47.55821568,3.867731796,67.80178677,25.55759255,66.54341946,0.250369412,30.80465315,41.50372703,13.93628677,41.01723522,0.001491169,74.19065931,20.24977859,76.77071337,29.053004,0.234215939,46.88672127,9.293983147,64.44497733,15.61823072,12.56336848,23.50991975,2.840633978,23.8500551,2.889194056,57.39918178,9.136657141,22.86578986,6.930548167,29.3869645,8.515547524,1.419945544,28.07501025,4.613573413,23.60059458,0.044801075,15.29458194,13.55016538,5.308446096,16.14954072,3.23E-04,23.12166817,5.459105443,26.25670907,11.50602025,0.121177373,12.85520989,2.10987589,20.14622971,5.989903767,6.753072168,7.782084441,0.588974436,8.031957756,0.590266892,20.2696225,28.43803878,29.76140084,38.67011943,131.0027686,77.83685428,3.683108431,86.61274669,41.73636318,89.53506409,0.4098137,30.23274837,58.87994619,18.28760096,56.22045642,0.002223445,91.75231204,30.46186466,93.09050329,39.55100952,0.212295229,69.36548935,14.56114698,84.56860254,21.28979784,12.87484157,32.44613913,4.532149083,32.52437132,3.810574643,67.72982347,17.25737937,40.60596407,36.98393277,66.84856834,23.17389953,8.500900942,48.26588717,12.57831225,52.00936535,0.121971785,45.3871769,25.9241155,15.26788252,28.65481906,0.001092341,72.30491542,11.58889689,80.85797008,20.63880876,0.497460007,29.53621169,4.948977791,56.88696786,11.51961133,16.26650337,17.27387306,1.511014707,18.03863713,2.816769833,63.41780265,174.0828054,0.7826708,0.467922541,0.992867341,0.0044639,0.567602314,0.711200978,0.596770624,175.3333988,218.0730264,457.1606508,0.989301012,1.875573915,166.823217,0.284072631,0.083281094,0.997802784,0.001699095,0.521251462,0.093849222,0.018961375,167.1905707,61.30678802,232.4440423,0.996704177,0.634062059,170.447358,0.492386744,0.240272133,0.995719951,0.002876427,0.544143918,0.281783459,0.157712218,171.1800169,124.9980766,316.3431772,0.993579926,0.983639594,173.4140244,0.748868409,0.442993385,0.993173988,0.004288907,0.563249654,0.651137043,0.535028515,174.6058861,207.0172938,439.1521989,0.989760983,1.749415213,172.0934322,0.596794845,0.320003054,0.994700904,0.003449477,0.554704153,0.413821569,0.279550036,173.0102301,157.9658732,363.8418483,0.992051355,1.248075757,174.3948737,0.813781036,0.49281121,0.992563567,0.004631612,0.569639113,0.768751113,0.661750352,175.7014659,228.2640301,473.9048889,0.98884535,2.000140578,174.5755012,0.760892242,0.451781305,0.993101507,0.004328461,0.570819914,0.672154144,0.556428355,175.7881748,212.0468491,447.8465551,0.98965226,1.799402413 +UMLCP0027,L,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,C12E9,87.8,0,-4.4555,19.85148025,141.683,102.161166,0,0,102,40,62,0,30,0,10,0,0,0,0,0,0,0,6950.599608,7291.057571,8030.25505,8033.535201,7505.044668,7499.705123,7399.699626,6903.192853,6877.709436,16796.60698,21303.1458,27318.282,28362.21141,28311.4669,27511.13057,25847.40929,25700.2215,24906.44214,776.277408,785.100836,1492.454656,1813.223916,1658.051712,1915.49654,1657.653432,1512.719836,1733.876664,117.6650401,149.6864309,204.2959898,226.9535997,232.8579861,222.080766,205.748242,210.0909471,199.8503807,17123.23797,14975.07005,30833.0323,39759.49652,37081.80101,43254.32818,36272.31534,33728.42574,39033.03538,277.5,248.25,441,525.75,394.5,490.25,485,365.75,449.5,68.14313341,72.18868882,42.26450026,33.896773,32.91686258,29.41060833,34.25786864,33.34875774,29.9030845,164.6726174,210.9222357,143.7804316,119.6717781,124.1731004,107.8867865,119.6639319,124.1556594,108.2888789,7.610562824,7.773275604,7.855024505,7.650733823,7.272156632,7.511751137,7.674321444,7.307825295,7.538594191,1.153578825,1.48204387,1.075242052,0.957610125,1.021306957,0.870904965,0.952538157,1.014932112,0.868914699,167.874882,148.2680203,162.2791174,167.7615887,162.6394781,169.6248164,167.9273859,162.9392548,169.7088495,2.720588235,2.457920792,2.321052632,2.21835443,1.730263158,1.92254902,2.24537037,1.766908213,1.954347826,1.741055712,-0.384677351,-1.060991822,0.8712522,-0.061877091,-0.747804448,0.778144591,-0.060695406,-0.65558429,3620.457551,167.5953971,-1576.53165,-202.956972,275.9388594,340.5990788,-206.2286571,213.5030829,264.6502227,4713.812673,-575.0079174,-1599.65576,287.6802307,-1056.821426,825.7550458,255.0592197,-930.3627897,714.8579121,9.712884706,-0.098191875,-4.443247668,4.140490948,1.377880304,-2.428027529,3.411393799,0.930583626,-2.42195618,20.67951518,-5.643738967,-5.60910991,6.488888418,-9.061541229,2.567266679,5.736763047,-7.989767814,2.188329124,116.0430536,-36.17648862,-29.75632345,46.53113629,-56.27305062,10.72778286,41.0125052,-49.76522936,8.887032081,71.37254902,-1.123798539,-29.39984621,20.96770473,10.84371396,-13.69607843,17.38754325,7.89100346,-13.98712034,0.017069174,-0.003808687,-0.005584167,0.00367617,-2.71E-04,-0.002932566,0.003602521,-2.93E-04,-0.002850366,35.49468187,1.659360367,-8.297535,-0.856358531,1.210258155,1.335682662,-0.954762302,1.03141586,1.150653142,46.21384974,-5.693147697,-8.419240842,1.213840636,-4.635181694,3.238255082,1.180829721,-4.49450623,3.108077879,0.09522436,-9.72E-04,-0.023385514,0.017470426,0.006043335,-0.009521677,0.01579349,0.004495573,-0.010530244,0.202740345,-0.055878604,-0.029521631,0.027379276,-0.039743602,0.010067712,0.026559088,-0.038597912,0.009514474,1.137676996,-0.358183056,-0.156612229,0.196333908,-0.246811626,0.042069737,0.189872709,-0.240411736,0.03863927,0.699730873,-0.011126718,-0.154736033,0.088471328,0.047560149,-0.053710111,0.080497885,0.03812079,-0.060813567,-0.223132456,-0.327149258,0.215368927,-0.015899466,-0.171804829,0.211054227,-0.017178015,-0.166989131,0.046749549,-0.2337684,-0.02412639,0.034096887,0.037630501,-0.026898742,0.029058321,0.032417621,-0.123191375,-0.182180037,0.026265733,-0.100298541,0.070071096,0.025551425,-0.09725453,0.067254252,-0.010209539,-0.245583316,0.183465932,0.063464167,-0.099992025,0.165855563,0.047210326,-0.110583513,-0.275616596,-0.145613006,0.135046017,-0.196032033,0.04965816,0.131000508,-0.190381013,0.046929359,-0.314837214,-0.13765966,0.172574385,-0.216943497,0.03697863,0.166895094,-0.211318095,0.033963304,-0.015901425,-0.221136495,0.126436222,0.067969202,-0.076758242,0.115041209,0.054479216,-0.086909938,1.236428303,1.71736095,0.933359868,0.573726352,1.198803549,0.982721383,0.638744535,1.24001459,1.092670644,1.377917427,1.059309885,0.866071739,0.948249586,1.071756733,0.885253761,0.964360772,1.534929928,1.256599758,0.938665064,1.193924913,0.852165693,0.93402791,1.182085936,0.851524128,0.938924766,1.654673361,0.998884303,0.474523806,1.166223213,1.056980545,0.551464192,1.21906913,1.830923444,1.253616482,0.823790477,1.320803313,0.849396919,0.820959233,1.303864419,0.847849119,1.891982161,1.268724634,0.793232273,1.328371029,0.861197236,0.79343527,1.313528705,0.861534391,0.945741758,1.450487637,0.915044686,0.422050318,1.029423077,0.969612332,0.483666786,1.084404861,961.0259572,481.7629786,758.7409759,963.4009572,24.08502393,481.7629786,2.5,0.104225323,0.002605633,-9.04480062,709.7078196,17.74269549,26.25941345,961.4652583,481.978957,759.0948966,963.8332813,24.09583203,481.978957,2.492655791,0.103858511,0.002596463,-9.058903091,707.6300312,17.69075078,26.24768561,1351.17135,673.5907024,1074.892831,1347.380902,33.68452255,673.5907024,-3.989944781,0.109143948,0.002728599,-8.860350592,766.4581182,19.16145295,26.56712023,961.9263146,482.2056313,759.4663524,964.2870152,24.10717538,482.2056313,2.484948002,0.103473997,0.00258685,-9.073739752,705.4930557,17.63732639,26.23558771,1764.349073,876.7630653,1411.399791,1754.067278,43.85168195,709.7827129,-10.82294264,0.216669196,0.00541673,-6.11753412,515.5881195,12.88970299,24.98123291,1007.039299,504.3853203,795.8497522,1008.684073,25.21710184,504.3853203,1.731341859,0.068012084,0.001700302,-10.75227955,601.5687717,15.03921929,25.59816345,786.2046499,395.1233461,617.7754824,789.9583589,19.74895897,395.1233461,5.766666667,0.315918962,0.007897974,-4.609078197,930.8323876,23.27080969,27.34431691,0,11.99611375,16.00446164,-0.418433767,0.096255922,3.719658017,7.574853905,39,101,101,101,39,0,0,0,0,0,85.022834,3.54030766,3.496096254,3.473246762,3.44315921,3.403399062,3.349281463,3.285520224,3.21934608,1.941283144,1.851012425,1.738807068,1.725792336,1.709109074,1.681394433,1.642383776,1.595901889,3.560183179,3.445246813,3.380050377,3.354084825,3.315115957,3.271222435,3.226117645,3.165309429,1.884392279,1.799652056,1.769879572,1.747137739,1.71336641,1.674114289,1.635609727,1.587644418,3.687213935,3.614829797,3.600803161,3.576090509,3.536843299,3.486234293,3.431413231,3.376136122,1.706796913,1.599891096,1.508050302,1.486300268,1.455792406,1.42417755,1.381662462,1.324293404,3.579896495,3.462116304,3.358586463,3.335295674,3.302516627,3.268369058,3.222412447,3.160171882,1.849308469,1.787082541,1.77412373,1.751824769,1.716370631,1.670878877,1.622303795,1.573171598,3.744343813,3.653320746,3.632892085,3.607185573,3.569086826,3.52297302,3.476815947,3.425159724,1.652064871,1.543665275,1.476458028,1.452133397,1.415959305,1.37632906,1.334033064,1.275806644,4.582339371,3.871569069,3.843506587,3.79761504,3.735441186,3.661211251,3.612485892,3.562716731,1.777760454,1.661439498,1.489338026,1.468278045,1.447202643,1.41503576,1.373738686,1.32639033,0,0,0,0,0,20,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,28.87005769,19.91421356,13.72792206,9.457106781,6.51040764,4.478553391,3.078427125,2.114276695,0.721751442,0.510620861,0.361261107,0.255597481,0.180844657,0.127958668,0.090541974,0.064068991,25.62754486,15.71948697,9.416939234,5.853920929,3.61747843,2.188926593,1.358608468,0.836544842,0.640688622,0.403063768,0.24781419,0.158214079,0.100485512,0.06254076,0.039959073,0.025349844,53.94465296,101.8295703,96.98039216,98.56,59.55758443,788.6784228,0.528869147,0.99832912,0.950788158,0.96627451,0.583897887,7.7321414,4.049,156.3008,555.454978,879.8494838,1110.909956,27.7727489,555.454978,3.33E-16,8.33E-18,-142.5527531,564.597233,14.11493082,25.34445046,2282,1,0,10,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,30,0,0,0,0,0,0,0,0,0,0,0,1,0,29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.690199319,0,57.43944446,0,0,3.508841792,0,0,3.673993422,0,0,3.729545119,0,0.690199319,0,0,0,0,0,0,0,0,0,0,0,0,0,15.33767043,0,0,0,0,0,0,0,0,0,0,0,2.266967054,0,23.29358848,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.569898769,0,48.86954569,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.690199319,0,5.083809409,0,0,3.508841792,0,0,3.673993422,0,0,3.729545119,0,0.690199319,0,0,0,0,0,0,0,0,0,0,0,0,0,0.220796214,0,0,0,0,0,0,0,0,0,0,0,2.266967054,0,0.032500662,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.569898769,0,5.083809409,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.690199319,0,8.569898769,0,0,3.508841792,0,0,3.673993422,0,0,3.729545119,0,0.690199319,0,0,0,0,0,0,0,0,0,0,0,0,0,0.68161496,0,0,0,0,0,0,0,0,0,0,0,2.266967054,0,1.408076179,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.569898769,0,5.634453569,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,83,2.075,0.690199319,8.569898769,-0.070300462,0.032500662,12.20683942,1.467499338,2.569898769,40.41282304,1.467499338,2.569898769,40.41282304,18.3333,0.45833,0,0.04167,0.53203,0.89167,0.43115,0.53203,0.87724,0.10088,0,-0.10088,0.01443,0.51402,0.20027,0,0.04545,0,0,24.25,0.60625,24.25,0.60625,0,0,-24.25,-0.60625,0,0,50.44313,1.26108,67.33494,16.89181,0.4223,15.04249,0.37606,19.91421,4.87172,0.12179,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,39.1,10,10,10,10,1,1,1,1.284325635,1.728952731,2.627024477,3.189695939,3.55831827,3.862470409,131.0012148,176.3531786,267.9564967,325.3489858,362.9484635,393.9719818,0.192482579,0.259119082,0.393713581,0.478041458,0.533287086,0.578870532,5.388099706,4.943472611,4.045400865,3.482729403,3.114107072,2.809954932,0.192893488,0.259672246,0.394554076,0.479061974,0.53442554,0.580106297,11.92529738,16.64863265,19.7568046,22.28011139,24.38454928,25.82539466,146.8152728,121.4832187,112.4053142,98.14411113,86.87256105,78.33592289,40,39,39.02702703,40,0,12,3.66,4.9226,0,2.192508707,0,0,0,0,0,0,0,0,0,0.723385512,4.395041578,0,0,0,0,0,0,0.259,2.284,2.409,2.047,0.36,18.762,38,37,36,35,34,33,32,31,30,385,3.688879454,3.663561646,3.63758616,3.610917913,3.583518938,3.555348061,3.526360525,3.496507561,3.465735903,3.433987204,5.955837369,1,0.487179487,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,37,0.948717949,39,1,1,20,39,0.95,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.012820513,0.005847953,0.003378378,0.002222222,0.001587302,0.00120048,9.47E-04,7.72E-04,6.45E-04,5.51E-04,0.037967238,555.454978,879.8494838,1110.909956,27.7727489,555.454978,3.33E-16,8.33E-18,-142.5527531,564.597233,14.11493082,25.34445046,103.3,615.3382645,6.321928095,5.043425117,5.720311777,6.401917197,7.084226422,7.768533301,8.452974619,9.138522084,9.824065486,10.51034128,148.9443173,4.369447852,0,5.442417711,0,6.629363253,0,7.869019376,0,9.138736953,9.474779406,582.4342982,5.710140178,78.82842712,1.970710678,29.33036634,29.33036634,0,10660,37,3.693,154,1.240312612,2.123296024,2.864618604,3.706477552,4.879713065,5.990428596,7.242643858,8.216471931,9.582780079,10.72559429,103.0023576,99.16710081,118.127054,152.651027,171.1098624,239.568056,273.7923633,280.0302754,366.9173123,398.7249875,285.1807731,324.8721679,380.8059263,532.0899099,583.7093104,792.417711,966.3571409,966.4805374,1217.525049,1408.426903,9.75859727,16.77022665,22.08126869,27.37393272,37.00812995,46.53841453,53.33511595,62.51346888,74.29649581,79.34652145,1.93984691,2.384626549,2.937855158,4.181263643,4.538905546,6.121921955,7.690509752,7.539429014,9.448031625,11.20357467,182.3693789,341.5767959,476.7393743,589.8269597,819.2668151,994.1984525,1170.291686,1381.669951,1601.003435,1739.005205,3.213538437,5.06760618,6.730752722,6.987669676,9.870888796,14.34346875,13.3632712,16.80230043,22.6428352,20.11063386,0.458571954,0.589504328,0.701632188,0.968985527,1.118155638,1.476935282,1.7943853,1.868831197,2.297955666,2.635056154,1216.306342,5295.618468,60.43235048,228.6898892,-995.682057,-57.94749309,987.6164529,6291.300525,118.3798436,0.841736688,3.664797425,0.041821805,0.158263312,-0.689055124,-0.040102176,1757.558081,7652.148729,87.3245187,330.456028,-1438.75682,-83.73390913,0.048194647,0.090351141,1.115207873,3.216372383,1283.990385,161.0058463,0.888576978,0.111423022,3049.95983,55.2264414,14.50211595,3675.750307,60.62796638,15.43293999,5554.157957,74.52622328,17.70949086,7.574356082,7.574356082,111523.2732,111406.6836,212.5956326,1.001046522,524.5793236,524.0309135,12.21241656,24.04315161,47.83518599,0.989555561,24.92875548,29.85914306,30.48843938,101.5118394,56.41121661,3.191426256,78.93349818,31.99226639,71.43563358,0.280312153,29.05670438,46.29140859,15.5624897,43.78157687,0.001592837,78.61959908,22.24876193,82.70181022,30.7774591,0.211590585,55.60343535,10.30795015,71.22707546,16.47698669,13.22911597,24.59737191,3.181094827,25.10767433,2.682639939,62.77576355,2.117512441,33.33190308,3.16521261,21.1649102,0.399334211,3.596623615,7.216368365,0.335297168,11.73882176,0.001975186,30.63718847,2.462885525,6.85935535,7.71925227,3.58E-04,13.03007279,0.786095992,30.37828518,5.225137609,0.278356981,4.791279358,0.226394158,12.05983517,2.693944283,11.36529703,4.092066996,0.105014996,4.426108107,0.340738846,21.62658554,6.683076661,26.83605792,6.509436038,24.82169496,4.145439156,1.8741591,21.45445408,2.418303571,18.99567252,0.020575696,20.86893744,8.699664642,5.586571639,12.35365498,2.86E-04,21.20208495,3.210268123,28.9054814,8.699746988,0.166755147,9.17075847,1.140301888,17.90512208,4.512166139,8.931872349,5.994946753,0.323557366,6.309684193,0.487063292,22.71973839,23.81538148,33.33744593,35.70688538,96.9098277,50.26282934,4.28782012,75.15837102,28.54281294,70.02953029,0.249753717,34.76830786,42.72551003,15.81120548,41.28604061,0.001533679,83.81225416,20.24716511,88.73976395,29.05780543,0.279777694,51.58847609,9.286642827,72.34347365,15.61945382,15.07240963,23.70578444,2.864166692,24.32094853,2.882038082,68.839833,9.764207223,24.36887874,7.520694406,30.84971629,8.999469298,1.561446019,31.15558901,5.150333489,24.46753548,0.044690891,17.27115082,13.76632577,6.046310727,16.20090941,3.40E-04,25.87818987,5.454242611,30.29516489,11.50676194,0.142128365,13.80242578,2.107198127,22.43498296,5.989517326,8.092327868,7.816682125,0.598717755,8.140626162,0.588680649,24.03284097,30.33570861,32.07360105,42.48133617,137.8926091,82.26391762,4.047108939,96.07021994,46.61343206,94.2309726,0.408805924,34.03573105,60.88285562,20.66447337,56.65457822,0.002257006,103.6275911,30.46394727,107.4930296,39.55774291,0.253022117,76.90626367,14.55110584,94.91209512,21.29212184,15.43074857,32.76655086,4.561186803,33.26071878,3.800988226,81.23299632,18.30847948,44.14866108,40.77226336,71.26540734,24.52993579,9.576291251,53.39808645,14.0700248,54.9500492,0.121862912,51.30534145,26.55948274,17.52819484,28.83371781,0.001175339,81.63909393,11.60166479,93.51944805,20.67363696,0.599864277,31.96640825,4.951967778,63.79224964,11.53755724,19.53806724,17.39750021,1.54270088,18.32064576,2.81467152,75.76108793,203.3100147,0.780704477,0.466654831,0.993902154,0.003816555,0.568734723,0.708280031,0.59531554,204.5573741,253.9649589,532.5921391,0.990853231,1.872330293,193.9810386,0.282677873,0.082418471,0.998121412,0.001454507,0.517742844,0.093069639,0.018616302,194.3461349,70.84506587,269.7105474,0.997182118,0.629428785,199.0802206,0.490812447,0.239143442,0.996346753,0.002456394,0.545319118,0.280417164,0.156638468,199.8101765,145.4371539,368.6142873,0.99452013,0.98237475,202.30515,0.746229336,0.441239617,0.99416456,0.003667108,0.563126678,0.647123551,0.532359473,203.492619,240.5603506,510.6651663,0.99124684,1.742609702,201.3029263,0.59565536,0.319179797,0.99547599,0.002945613,0.557563164,0.412858462,0.278869332,202.2177614,184.3491153,424.8388219,0.993213985,1.249290959,203.6021752,0.811603633,0.491421468,0.993640839,0.003960874,0.570370129,0.765246563,0.66002261,204.9052003,265.6975845,551.8073642,0.990461259,1.995639301,203.6987171,0.758614298,0.450326957,0.994100068,0.003702225,0.570911216,0.668621065,0.554483078,204.9076583,246.6014072,521.0975314,0.991150102,1.794015359 +UMLCP0028,L,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,C12E10,95.5,0,-4.5864,21.03506496,152.7265,109.150338,0,0,109,43,66,0,32,0,11,0,0,0,0,0,0,0,7499.160107,7868.078022,8673.815597,8695.03202,8134.557727,8149.362054,8061.196445,7532.705912,7527.366367,17984.36654,22791.06818,29196.42638,30336.97196,30382.67071,29575.77742,27822.16983,27771.42532,26971.08899,831.584012,841.179648,1599.855068,1934.88572,1769.474908,2063.207736,1779.315236,1624.143032,1881.58786,125.6644957,159.6081881,217.2460448,241.5463045,249.0123722,237.6984984,220.3409468,226.2453332,215.4681131,18301.94857,16021.04125,32989.57591,42291.43442,39479.93302,46520.37771,38804.25325,36126.55774,42299.08491,298.25,267,475.75,566.5,423.25,531,525.75,394.5,490.25,68.79963401,72.85257428,42.72815565,34.50409532,33.4755462,29.74219728,34.89695431,33.93110771,30.23038702,164.9941884,211.028409,143.8247605,120.3848094,125.0315667,107.9407935,120.4422937,125.0965104,108.3176265,7.629211119,7.788700444,7.881059448,7.678117937,7.281789745,7.529955241,7.702663359,7.315959604,7.556577751,1.152885282,1.477853594,1.070177561,0.958517081,1.024742273,0.867512768,0.953856912,1.019123123,0.865333787,167.9077851,148.3429746,162.5102262,167.8231525,162.4688602,169.7824004,167.9837803,162.7322421,169.875843,2.736238532,2.472222222,2.343596059,2.248015873,1.741769547,1.937956204,2.275974026,1.777027027,1.968875502,1.906155035,-0.416203375,-1.173895522,0.964658285,-0.063049076,-0.840038548,0.871550676,-0.061867391,-0.74781839,3893.978977,191.54324,-1699.143189,-245.6892821,297.5984569,382.8182542,-249.3485573,234.1815262,305.0754459,5029.153592,-630.3873774,-1673.541134,315.726022,-1192.230561,938.7438736,283.0889427,-1065.360823,827.0566249,10.63407582,-0.123707194,-5.022442117,4.477128938,1.535388262,-2.794135759,3.744612976,1.073872814,-2.795072865,22.05546142,-6.248569151,-5.8155023,7.220522908,-10.1485914,2.922517711,6.468321232,-9.077422874,2.543879266,123.882215,-40.11092577,-30.92941404,51.75058172,-62.95797052,12.20811152,46.22989086,-56.46464143,10.37252609,76.41284404,-1.097129871,-32.69089302,22.25654406,11.90989816,-15.54696574,18.65718374,8.897693797,-15.87429509,0.017487661,-0.003853735,-0.005782737,0.003828009,-2.59E-04,-0.003065834,0.003772947,-2.79E-04,-0.003003287,35.72457777,1.773548519,-8.370163491,-0.974957469,1.224685008,1.397146913,-1.079430984,1.05487174,1.225202594,46.13902378,-5.836920161,-8.244044997,1.25288104,-4.906298604,3.426072532,1.225493259,-4.798922627,3.32151255,0.097560329,-0.001145437,-0.024741094,0.017766385,0.00631847,-0.010197576,0.016210446,0.004837265,-0.011225192,0.202343683,-0.057857122,-0.028647795,0.028652869,-0.041763751,0.010666123,0.028001391,-0.040889292,0.010216383,1.136534083,-0.371397461,-0.152361646,0.205359451,-0.259086298,0.044555152,0.200129398,-0.254345232,0.041656731,0.701035266,-0.01015861,-0.161038882,0.088319619,0.049011927,-0.056740751,0.080767029,0.040079702,-0.063752189,-0.220368806,-0.330675246,0.218897719,-0.014836817,-0.175314134,0.215749075,-0.015935919,-0.171737474,0.049645052,-0.234297059,-0.027290944,0.034281301,0.039108843,-0.03021536,0.029527899,0.034295789,-0.126507231,-0.178678358,0.027154477,-0.106337287,0.074255419,0.026560884,-0.10401006,0.071989225,-0.011740807,-0.253597897,0.182106651,0.064764749,-0.104525845,0.166158171,0.049582294,-0.115058983,-0.285934905,-0.141579881,0.141604958,-0.206400072,0.052712904,0.138385297,-0.202078423,0.050490247,-0.326780751,-0.13405814,0.180689215,-0.22796175,0.039202653,0.176087458,-0.223790237,0.036652426,-0.014490869,-0.229715807,0.12598456,0.069913639,-0.080938511,0.115211079,0.057172162,-0.09094006,1.234104156,1.73111618,0.942361618,0.57239267,1.209099186,0.990238146,0.632743471,1.250117596,1.082184539,1.378854361,1.06659063,0.86498191,0.948988475,1.079382462,0.88313641,0.964410637,1.535064601,1.247714966,0.937377906,1.205381654,0.84593425,0.932722323,1.195146334,0.844521408,0.93957991,1.669060289,1.010336116,0.473270694,1.175966197,1.066551871,0.544267539,1.22735035,1.842123406,1.243992979,0.816590888,1.338796285,0.842640792,0.813087585,1.324338399,0.840307546,1.905392131,1.260258887,0.785069405,1.3468163,0.855273511,0.784399038,1.334492592,0.854848714,0.94224997,1.474296289,0.932434866,0.424594122,1.044556308,0.985079514,0.482266454,1.096926546,1105.948024,554.3490118,873.0165037,1108.570117,25.78070039,554.3490118,2.75,0.097196985,0.002260395,-10.02336702,674.3929838,15.68355776,28.00939591,1106.469769,554.6058453,873.4371509,1109.084159,25.79265487,554.6058453,2.74192137,0.096853472,0.002252406,-10.03859096,674.3018481,15.68143833,28.00881478,1569.06594,782.3385004,1247.982184,1564.881137,36.39258459,709.7827129,-4.388939259,0.101084991,0.002350814,-9.854712585,613.7886571,14.27415482,27.60449785,1107.017352,554.8753974,873.8786359,1109.623658,25.80520135,554.8753974,2.733442802,0.096493393,0.002244032,-10.05460718,674.211435,15.6793357,28.00823818,2059.179633,1023.637198,1646.234821,2047.828128,47.62390996,709.7827129,-11.90523691,0.200204845,0.004655927,-6.916181105,620.6706633,14.43420147,27.65244262,1160.592602,581.2485392,917.1062519,1162.408498,27.03275577,581.2485392,1.904476045,0.063336253,0.001472936,-11.86497883,688.4420473,16.01028017,28.09805391,896.4850905,450.4556648,703.7230395,900.6166175,20.9445725,450.4556648,6.336309524,0.297835301,0.006926402,-5.208222897,601.4609771,13.98746458,27.51725513,0,11.99610882,16.0054278,-0.418443263,0.097497892,3.719657019,7.574857329,42,108,108,108,42,0,0,0,0,0,91.311662,3.540307755,3.497534335,3.477723108,3.450834896,3.416929429,3.371049498,3.314739324,3.253674746,1.941283144,1.851012425,1.739627078,1.7280287,1.713385423,1.690669849,1.657825215,1.61757161,3.560183179,3.445246819,3.381629986,3.35988098,3.326387039,3.286068512,3.245501912,3.196355231,1.884392279,1.799652441,1.771332039,1.752218474,1.723237497,1.687700682,1.651629789,1.612260483,3.687213936,3.615597128,3.603211587,3.582395657,3.549309075,3.505464688,3.45520552,3.404437086,1.706796913,1.599891096,1.509343383,1.490970593,1.463851741,1.434642102,1.400068516,1.352187543,3.579896495,3.462116304,3.35997154,3.340312393,3.311213623,3.27971846,3.242378185,3.190578734,1.84930847,1.787809104,1.776321362,1.757492251,1.727557989,1.68798688,1.643100902,1.59823376,3.744343813,3.653327873,3.63466792,3.613031199,3.580505317,3.539622404,3.496034833,3.451961557,1.652064871,1.543665277,1.477927302,1.457520777,1.426263531,1.389470625,1.352378524,1.305143189,4.584637438,3.874218599,3.850945685,3.812730688,3.760525709,3.696219202,3.630200016,3.600259861,1.77713541,1.660811698,1.488697598,1.469007072,1.451489422,1.424501803,1.389376591,1.348049898,0,0,0,0,0,22,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,30.99137803,21.41421356,14.78858223,10.20710678,7.040737726,4.853553391,3.343592168,2.301776695,0.720729722,0.509862228,0.360697128,0.25517767,0.180531737,0.127725089,0.090367356,0.063938242,27.45000672,16.79683724,10.02931167,6.225929397,3.837391633,2.313926593,1.434544379,0.881434436,0.638372249,0.399924696,0.244617358,0.155648235,0.098394657,0.060892805,0.03877147,0.02448429,57.74310767,108.9359068,103.7803922,105.48,63.63493293,842.8894539,0.529753281,0.999411989,0.95211369,0.967706422,0.583806724,7.73293077,4.0656,167.1198,641.9596343,1016.812083,1283.919269,29.85858764,641.9596343,4.44E-16,1.03E-17,-152.0071767,2000417.951,46521.3477,62.38812678,2646,1,0,11,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,32,0,0,0,0,0,0,0,0,0,0,0,1,0,31,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.689537291,0,62.9651682,0,0,3.506477154,0,0,3.671506508,0,0,3.726985084,0,0.689537291,0,0,0,0,0,0,0,0,0,0,0,0,0,16.74983998,0,0,0,0,0,0,0,0,0,0,0,2.266947112,0,24.26788468,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.575521434,0,54.38964677,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.689537291,0,5.085261084,0,0,3.506477154,0,0,3.671506508,0,0,3.726985084,0,0.689537291,0,0,0,0,0,0,0,0,0,0,0,0,0,0.221337046,0,0,0,0,0,0,0,0,0,0,0,2.266947112,0,0.030323724,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.575521434,0,5.085261084,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.689537291,0,8.575521434,0,0,3.506477154,0,0,3.671506508,0,0,3.726985084,0,0.689537291,0,0,0,0,0,0,0,0,0,0,0,0,0,0.685075168,0,0,0,0,0,0,0,0,0,0,0,2.266947112,0,1.407046612,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.575521434,0,5.639641231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,89.5,2.081395349,0.689537291,8.575521434,-0.072600634,0.030323724,12.67644157,1.469676276,2.575521434,44.46423063,1.469676276,2.575521434,44.46423063,19.66663,0.45736,0,0.04264,0.53517,0.89612,0.4313,0.53517,0.88258,0.10387,0,-0.10387,0.01355,0.51038,0.20391,0,0.04237,0,0,26.25,0.61047,26.25,0.61047,0,0,-26.25,-0.61047,0,0,54.84407,1.27544,73.81921,18.97514,0.44128,16.03877,0.37299,21.41421,5.37544,0.12501,-2.10E-04,0,-2.10E-04,0,0,42.11,11,11,11,11,1,1,1,1.291269098,1.721109686,2.588361528,3.123469801,3.474714175,3.766087261,140.7483317,187.6009558,282.1314065,340.4582083,378.7438451,410.5035114,0.190785155,0.254294151,0.382430709,0.461493017,0.513389413,0.556439819,5.476915226,5.047074639,4.179822797,3.644714523,3.29347015,3.002097064,0.191160711,0.254794722,0.383183514,0.462401454,0.514400006,0.557535156,12.01176261,16.59310323,19.55941856,21.96805308,23.98621067,25.38024418,157.9763968,131.7788997,122.7431551,108.4978004,97.14421478,88.46949653,43,42,42,43,0,12,3.77,5.2631,0,2.180481597,0,0,0,0,0,0,0,0,0,0.736041738,5.053198552,0,0,0,0,0,0,0.259,2.495,2.635,2.232,0.374,20.12,41,40,39,38,37,36,35,34,33,418,3.761200116,3.737669618,3.713572067,3.688879454,3.663561646,3.63758616,3.610917913,3.583518938,3.555348061,3.526360525,6.03787092,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,40,0.952380952,42,1,2,21,42,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.011904762,0.005420054,0.003125,0.002051282,0.001461988,0.001103144,8.68E-04,7.05E-04,5.88E-04,5.01E-04,0.035119151,641.9596343,1016.812083,1283.919269,29.85858764,641.9596343,4.44E-16,1.03E-17,-152.0071767,2000417.951,46521.3477,62.38812678,112.53,658.7204604,6.426264755,5.117993812,5.796057751,6.478509642,7.161622003,7.846589975,8.531687638,9.217812387,9.903937451,10.59074241,155.6449531,4.442651256,0,5.517452896,0,6.705639095,0,7.946263644,0,9.216819338,9.55251063,626.4605129,5.747344155,84.82842712,1.972754119,32.33036634,32.33036634,0,13244,40,3.503,166,1.240934732,2.123192539,2.864956061,3.711245388,4.876972661,5.992832775,7.241791726,8.209059934,9.580647191,10.72370163,103.9081081,100.1980455,120.2089297,155.1800712,172.9520479,243.8996889,278.4244282,282.9094286,373.786778,405.5796209,285.2836022,324.848398,383.1434869,535.7674314,583.7212246,797.4249329,973.1736947,966.0263092,1225.748075,1419.453727,9.785493402,16.82616253,22.16616235,27.45097756,37.08473462,46.73814528,53.3969416,62.61969149,74.56999351,79.40162671,1.933815457,2.372516346,2.941505629,4.195646702,4.517845202,6.130246216,7.717434873,7.500764907,9.463923618,11.25507323,182.5899135,342.0747601,476.9687754,590.0667099,819.620765,995.0760905,1168.734217,1381.874499,1601.191289,1736.024016,3.236110674,5.11689843,6.824916503,7.045535636,9.949420915,14.5480536,13.44481141,16.92068068,22.95514451,20.19898084,0.459147467,0.589893324,0.705168544,0.974880602,1.118680241,1.484608821,1.804604634,1.868757579,2.309965969,2.651239409,1328.396372,6283.076176,69.58022503,227.5440833,-1076.242633,-61.61993175,1100.852289,7359.318808,131.2001568,0.853757846,4.038121224,0.04471908,0.146242154,-0.691699113,-0.039603014,2066.905655,9776.092404,108.262687,354.0450445,-1674.569452,-95.87694464,0.044363712,0.083169236,1.708645573,2.937021116,1367.968887,187.9715677,0.879191027,0.120808973,3302.187374,57.46466196,14.89134427,3967.895354,62.99123236,15.83142726,6037.946651,77.70422544,18.20943303,7.710952004,7.710952004,138172.3752,138046.9626,227.752846,1.000908478,606.6768326,606.1261805,12.79356842,26.13928616,51.40069405,0.966415369,26.50138023,31.93287684,33.17094551,106.6359327,59.45027004,3.473846367,86.72611306,35.34176596,74.85667036,0.27952068,32.32351646,47.66757612,17.37101851,44.07132269,0.001623614,87.53399527,22.25550827,93.78089165,30.78244856,0.245120353,60.85169974,10.3030841,78.90233365,16.47534235,15.42755108,24.82014232,3.205004321,25.61074847,2.675028378,73.10795167,2.249481937,35.77047296,3.453443187,22.26490475,0.420737946,4.019902402,7.859047643,0.371764446,11.96915009,0.001969606,34.24863889,2.472188842,7.777808711,7.721803145,4.09E-04,14.21653333,0.785375105,34.4772146,5.225033956,0.323985499,4.864773448,0.226076492,13.17378401,2.693558804,13.28754228,4.095211364,0.117532589,4.439517127,0.339570224,24.97745384,7.109150435,28.59429408,7.056524783,26.03217744,4.368485451,2.067765045,23.53707865,2.670574509,19.60874656,0.020517594,23.29325317,8.799813522,6.293720325,12.3767112,3.13E-04,23.41847152,3.208860593,32.78394969,8.700969131,0.192327558,9.646812454,1.139207993,19.70538098,4.5120257,10.42755483,6.013164077,0.333348707,6.364444768,0.485577582,26.28362532,25.29969846,35.77556117,38.95494232,102.0313871,52.97057394,4.710337364,82.50621044,31.53133651,73.51357778,0.249048525,38.73498999,43.95150238,17.69187902,41.54432302,0.001577777,93.42788196,20.25266251,100.7152455,29.06217626,0.325555872,56.28907018,9.282110149,80.22909175,15.61717059,17.5910622,23.90462514,2.889166643,24.77512186,2.873910747,80.28614251,10.39219531,25.86864695,8.112562007,32.3155382,9.483957356,1.704083834,34.23252472,5.687710084,25.33372429,0.044564697,19.24751526,13.98468874,6.786780882,16.24942829,3.57E-04,28.63425786,5.453022624,34.33294698,11.50888336,0.163271691,14.74893484,2.105527303,24.71968097,5.98958386,9.437596569,7.854089089,0.60896851,8.241292563,0.58692042,27.79585425,32.2347896,34.3786999,46.3042605,144.7934823,86.69609692,4.413596004,105.5168393,51.49580975,98.9247033,0.407651651,37.84239409,62.89090409,23.0484886,57.07472214,0.002292325,115.4964675,30.47616761,121.9027738,39.56344161,0.293962652,84.44607331,14.5449415,105.240008,21.28930055,17.99694735,33.08995379,4.592300082,33.97393166,3.790295117,94.74663687,19.35987531,47.67860757,44.57678428,75.69142926,25.88665685,10.65724591,58.52819387,15.56512368,57.88625712,0.121685913,57.23573466,27.19425287,19.79783437,29.00063301,0.001260561,90.97495061,11.61804456,106.2102502,20.70435638,0.702728381,34.39588883,4.95555633,70.69184427,11.55041332,22.82563686,17.52000198,1.575120785,18.58997478,2.810462548,88.12496454,234.7086861,0.780422364,0.465526053,0.994719543,0.00330751,0.569409676,0.709054842,0.593834109,235.9546345,292.798223,614.0241528,0.992079314,1.872298628,223.2174753,0.281832302,0.08167818,0.998374144,0.001260538,0.515019849,0.092596147,0.018323182,223.5809858,81.16491144,309.8842629,0.997561216,0.625939178,229.8636274,0.490156517,0.238157717,0.996841545,0.002125645,0.546144413,0.279943975,0.155694983,230.5919417,167.5296863,424.9546567,0.995262318,0.981783371,233.34737,0.745315689,0.439693775,0.994947352,0.00317788,0.562823715,0.646735261,0.529873812,234.5323794,276.8465523,587.8493543,0.992421029,1.739432788,232.6952522,0.595577719,0.318450574,0.996087363,0.002549461,0.559682592,0.413205773,0.278223735,233.6092805,212.8797063,490.6224491,0.994131045,1.2511121,234.97747,0.81123511,0.49018419,0.99449202,0.00343338,0.570714556,0.766058139,0.658260575,236.2788893,306.201869,635.920636,0.991738031,1.995033269,234.9820158,0.758138728,0.44903829,0.994888941,0.003209879,0.570736742,0.669126576,0.552603833,236.1891929,284.0053224,600.1902226,0.992333411,1.792467151 +UMLCP0029,L,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,C12E11,100.3,0,-4.7173,22.25291929,163.77,116.13951,0,0,116,46,70,0,34,0,12,0,0,0,0,0,0,0,8047.720606,8445.098473,9317.376144,9356.528839,8764.070786,8799.018985,8722.693264,8162.218971,8177.023298,19172.12609,24278.99055,31074.57077,32311.73251,32453.87453,31640.42427,29796.93038,29842.62913,29035.73584,886.890616,897.25846,1707.25548,2056.547524,1880.898104,2210.918932,1900.97704,1735.566228,2029.299056,133.6639513,169.5299454,230.1960998,256.1390093,265.1667583,253.3162308,234.9336516,242.3997193,231.0858455,19480.65918,17067.01246,35146.11953,44823.37233,41878.06502,49786.42723,41336.19115,38524.68974,45565.13443,319,285.75,510.5,607.25,452,571.75,566.5,423.25,531,69.37690178,73.4356389,43.13600067,35.04317917,33.96926661,30.03078152,35.4581027,34.43974249,30.51128096,165.2769491,211.1216569,143.8637535,121.0177247,125.7902114,107.9877961,121.1257332,125.9182664,108.3422979,7.645608759,7.802247478,7.903960556,7.702425184,7.290302729,7.545798403,7.727548943,7.323064253,7.572011403,1.152275443,1.474173438,1.065722684,0.959322132,1.027778133,0.864560515,0.955014844,1.022783626,0.862260618,167.9367171,148.408804,162.7135163,167.877799,162.3180815,169.9195469,168.0332974,162.5514335,170.0191583,2.75,2.484782609,2.363425926,2.274344569,1.751937984,1.951365188,2.302845528,1.785864979,1.981343284,2.071254359,-0.447729398,-1.286799223,1.058064371,-0.064221061,-0.932272648,0.964956761,-0.063039376,-0.84005249,4167.235002,215.3505331,-1822.225029,-289.82942,318.3141831,424.8506969,-293.8775539,253.9864666,345.4732492,5344.431049,-685.751007,-1747.19309,343.4183903,-1328.272775,1052.043549,310.7556933,-1201.053041,939.6478668,11.553572,-0.150729,-5.6089,4.804983,1.691886,-3.165815,4.069154,1.217561,-3.17328,23.43140322,-6.853446743,-6.022217774,7.952149136,-11.2352861,3.277441637,7.199879559,-10.16465026,2.899065243,131.7210434,-44.04655461,-32.11019803,56.96860503,-69.63570869,13.68090506,51.44604268,-63.15518303,11.84978979,81.44827586,-1.07372176,-36.00713436,23.51129608,12.96848989,-17.41676576,19.8941736,9.903091558,-17.77705113,0.017855641,-0.003893299,-0.005957404,0.003962788,-2.49E-04,-0.003181818,0.003922588,-2.66E-04,-0.003134524,35.92443967,1.872613332,-8.436226987,-1.085503446,1.233775904,1.450002379,-1.194624203,1.071672855,1.289079288,46.07268146,-5.963052234,-8.088856897,1.2862112,-5.148344089,3.590592317,1.263234526,-5.067734348,3.506148757,0.099599759,-0.001310687,-0.02596713,0.017996191,0.006557698,-0.010804829,0.016541276,0.005137388,-0.011840597,0.201994855,-0.059595189,-0.027880638,0.02978333,-0.043547621,0.011185808,0.029267803,-0.04288882,0.010817408,1.135526236,-0.383013518,-0.148658324,0.213365562,-0.269905848,0.046692509,0.209130255,-0.266477566,0.044215634,0.702140309,-0.009336711,-0.166699696,0.088057289,0.050265465,-0.059442887,0.080870624,0.041785196,-0.06633228,-0.218043088,-0.333642673,0.221934788,-0.013940627,-0.17819679,0.21968343,-0.014896633,-0.17554812,0.052126445,-0.234832528,-0.030216294,0.034343637,0.040362561,-0.033253802,0.029831303,0.035883073,-0.129427071,-0.175567313,0.027917003,-0.111743965,0.077933218,0.027418298,-0.109994343,0.076100384,-0.013159539,-0.260714785,0.180685087,0.065840498,-0.108482485,0.166077475,0.051580328,-0.118881784,-0.295033203,-0.138026475,0.147445983,-0.215587771,0.055376696,0.144893805,-0.212326297,0.053552887,-0.337300457,-0.130915799,0.18790016,-0.237692304,0.041119709,0.184170342,-0.234673191,0.038938452,-0.0132975,-0.237416502,0.125412667,0.071588918,-0.084659556,0.115177299,0.059511177,-0.094471546,1.232150524,1.742750701,0.950211024,0.571336022,1.217455451,0.996550267,0.627656913,1.257843501,1.073143224,1.379768345,1.073109328,0.86411155,0.949641455,1.086073451,0.881338565,0.964402725,1.53520161,1.239877276,0.936221736,1.215548792,0.840513134,0.931582591,1.206629433,0.838534347,0.940268516,1.681471051,1.020431107,0.472339174,1.18404149,1.074747667,0.538270393,1.233770768,1.852008345,1.23548227,0.810149206,1.354756028,0.83674974,0.806142699,1.342325129,0.833847677,1.91721081,1.252789496,0.77779119,1.363158474,0.850115463,0.776442516,1.352873428,0.84912362,0.939246401,1.495282658,0.947902891,0.42686529,1.05774955,0.998688586,0.481072055,1.107687246,1261.192337,632.0961686,995.5176689,1264.061902,27.47960657,632.0961686,3,0.090572597,0.00196897,-11.04737643,802.2837558,17.44095121,30.76232684,1261.802954,632.3970704,996.0099655,1264.664089,27.49269759,632.3970704,2.991186949,0.090251602,0.001961991,-11.06370806,801.3015207,17.41959828,30.75669161,1802.944053,899.0780594,1433.64878,1798.36429,39.09487587,709.7827129,-4.787933737,0.093774702,0.00203858,-10.88755676,1803.806827,39.21319188,34.48921123,1262.443808,632.7128727,996.5266463,1265.296096,27.50643687,632.7128727,2.981937603,0.089915135,0.001954677,-11.08088941,800.2828629,17.39745354,30.75084012,2375.934072,1181.473271,1898.239966,2363.511216,51.38067862,709.7827129,-12.98753117,0.185457197,0.004031678,-7.750683367,673.3518323,14.63808331,29.95643269,1325.14045,663.6090299,1047.103519,1327.127729,28.8506028,663.6090299,2.077610231,0.05896429,0.001281832,-13.02178705,739.5751771,16.07772124,30.38794931,1014.276001,509.5428568,795.7419241,1018.785446,22.14750969,509.5428568,6.906162465,0.279647853,0.006079301,-5.861431018,984.4751076,21.40163277,31.70369962,0,11.99610443,16.00640416,-0.418452358,0.098950951,3.719656024,7.574860771,45,115,115,115,45,0,0,0,0,0,97.60049,3.540307784,3.498658621,3.481405637,3.457239259,3.427613525,3.388440713,3.339179577,3.283453509,1.941283144,1.851012425,1.740278005,1.729958123,1.71675706,1.697810062,1.66996705,1.635080821,3.560183179,3.44524682,3.382836531,3.364388848,3.335491196,3.299165746,3.261124086,3.21997582,1.884392279,1.799652578,1.772442386,1.756184133,1.731167846,1.699480635,1.665367144,1.631008431,3.687213936,3.616228556,3.605187473,3.587326541,3.559151332,3.521146636,3.475978804,3.428261761,1.706796913,1.599891096,1.510338558,1.494657956,1.470742055,1.443438297,1.413984712,1.374126861,3.579896495,3.462116304,3.361036771,3.344268839,3.318633937,3.289246583,3.257449032,3.214411841,1.84930847,1.788406404,1.77813622,1.761933431,1.736416173,1.70202194,1.661429205,1.619117135,3.744343813,3.653331445,3.636028402,3.617592784,3.589597069,3.553622814,3.513133243,3.472725886,1.652064871,1.543665278,1.479051571,1.461721568,1.434663094,1.401169137,1.366753777,1.32765645,4.586668249,3.876362906,3.856755409,3.824466107,3.780122266,3.724805283,3.661412338,3.615682933,1.776583192,1.660257048,1.488131142,1.469467904,1.454694324,1.431759934,1.401622301,1.365580128,0,0,0,0,0,24,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,33.11269837,22.91421356,15.8492424,10.95710678,7.571067812,5.228553391,3.608757211,2.489276695,0.719841269,0.509204746,0.360210055,0.254816437,0.180263519,0.127525692,0.09021893,0.063827608,29.27246857,17.87418751,10.64168411,6.597937865,4.057304835,2.438926593,1.510480289,0.926324031,0.636358012,0.397204167,0.241856457,0.153440415,0.096602496,0.059486014,0.037762007,0.023751898,61.54156239,116.0422433,110.5803922,112.4,67.71228144,897.100485,0.53053071,1.000364166,0.953279243,0.968965517,0.583726564,7.733624871,4.0822,177.9388,734.71764,1163.675595,1469.43528,31.94424522,709.7827129,1.08E-15,2.35E-17,-158.5138531,716.5808887,15.57784541,30.24265922,3038,1,0,12,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,34,0,0,0,0,0,0,0,0,0,0,0,1,0,33,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.688919397,0,68.49584119,0,0,3.504276162,0,0,3.669216561,0,0,3.724681524,0,0.688919397,0,0,0,0,0,0,0,0,0,0,0,0,0,18.16452225,0,0,0,0,0,0,0,0,0,0,0,2.266914013,0,25.23724479,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.580498708,0,59.91534248,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.688919397,0,5.086627223,0,0,3.504276162,0,0,3.669216561,0,0,3.724681524,0,0.688919397,0,0,0,0,0,0,0,0,0,0,0,0,0,0.221809636,0,0,0,0,0,0,0,0,0,0,0,2.266914013,0,0.02852371,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.580498708,0,5.086627223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.688919397,0,8.580498708,0,0,3.504276162,0,0,3.669216561,0,0,3.724681524,0,0.688919397,0,0,0,0,0,0,0,0,0,0,0,0,0,0.688161588,0,0,0,0,0,0,0,0,0,0,0,2.266914013,0,1.406139247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.580498708,0,5.64386973,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,96,2.086956522,0.688919397,8.580498708,-0.07449547,0.02852371,13.14365884,1.47147629,2.580498708,48.52551041,1.47147629,2.580498708,48.52551041,20.99996,0.45652,0,0.04348,0.53793,0.9,0.43143,0.53793,0.88723,0.1065,0,-0.1065,0.01277,0.50724,0.20705,0,0.03968,0,0,28.25,0.61413,28.25,0.61413,0,0,-28.25,-0.61413,0,0,59.30864,1.28932,80.40616,21.09752,0.45864,17.03506,0.37033,22.91421,5.87916,0.12781,-2.10E-04,0,-2.10E-04,0,0,45.12,12,12,12,12,1,1,1,1.297264635,1.713126329,2.551345538,3.061430675,3.396764189,3.676179932,150.4826976,198.7226542,295.9560824,355.1259583,394.0246459,426.4368722,0.189161305,0.24980039,0.372025752,0.446404077,0.495300904,0.536044054,5.56071636,5.144854666,4.306635457,3.79655032,3.461216806,3.181801063,0.189506467,0.2502562,0.372704586,0.447218629,0.496204678,0.537022172,12.08620024,16.531017,19.3678939,21.67121215,23.60846151,24.95628351,169.1504424,142.1716022,133.1756602,118.9712444,107.5687076,98.79710801,46,45,45.02325581,46,0,12,3.88,5.6036,0,2.169058473,0,0,0,0,0,0,0,0,0,0.746891083,5.719548373,0,0,0,0,0,0,0.259,2.706,2.861,2.417,0.388,21.478,44,43,42,41,40,39,38,37,36,451,3.828641396,3.80666249,3.784189634,3.761200116,3.737669618,3.713572067,3.688879454,3.663561646,3.63758616,3.610917913,6.11368218,1,0.488888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,43,0.955555556,45,1,2,23,45,0.956521739,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.011111111,0.005050505,0.002906977,0.001904762,0.001355014,0.001020408,8.01E-04,6.50E-04,5.41E-04,4.59E-04,0.03265629,734.71764,1163.675595,1469.43528,31.94424522,709.7827129,1.08E-15,2.35E-17,-158.5138531,716.5808887,15.57784541,30.24265922,121.76,702.1026564,6.523561956,5.187385806,5.866468057,6.549650742,7.233455419,7.918992488,8.604654467,9.291274989,9.97789905,10.66515749,162.2949385,4.510859507,0,5.587248658,0,6.776506992,0,8.017966703,0,9.28924397,9.624633069,670.4867277,5.780057997,90.82842712,1.974531024,35.33036634,35.33036634,0,16215,43,3.313,178,1.241482843,2.123104291,2.865254824,3.715464051,4.874594316,5.994951506,7.24105565,8.202708294,9.578804582,10.72208329,104.7042318,101.1048388,122.056892,157.4150934,174.5554609,247.703079,282.4702863,285.3804383,379.7403745,411.4822785,285.3746882,324.8275616,385.2183901,539.0176921,583.7319607,801.8217923,979.127685,965.6367839,1232.874833,1428.949353,9.80913993,16.87538983,22.2415099,27.5191003,37.1514555,46.91357561,53.45099956,62.7109268,74.80707072,79.44916113,1.928520134,2.361864954,2.94474587,4.208361161,4.499519188,6.137558978,7.740954849,7.467585829,9.477698474,11.2994233,182.7838999,342.5132773,477.1722473,590.2794475,819.9300302,995.8480765,1167.375392,1382.051815,1601.355167,1733.458983,3.255961656,5.160262396,6.908493448,7.096679059,10.01778355,14.72769937,13.51604375,17.02229551,23.22582193,20.27507325,0.459654089,0.590235929,0.708307458,0.980091128,1.119137799,1.491347595,1.813531378,1.868695559,2.320375638,2.665176283,1453.07725,7419.104571,77.56719411,238.4544582,-1217.497941,-65.72288912,1214.622792,8636.602512,143.2900832,0.859030453,4.386027488,0.045856187,0.140969547,-0.719760638,-0.038854069,2457.926244,12549.65063,131.2073684,403.3532771,-2059.436373,-111.1723509,0.041096963,0.077045019,1.599193108,2.795353054,1492.283018,199.2486909,0.882208125,0.117791875,3554.361925,59.61846966,15.26114842,4259.98908,65.26859183,16.21073956,6522.35274,80.76108432,18.68392409,8.163062515,8.163062515,168791.2129,168657.32,242.5673738,1.000793875,695.8529098,695.3009275,13.35947449,27.60875375,54.95445731,0.990472218,28.07681545,34.01043437,35.85042981,111.7575326,62.49506628,3.756113272,94.52459103,38.6892916,78.28249407,0.27916613,35.58799068,49.03767718,19.17586062,44.36697829,0.00165708,96.45603333,22.25872786,104.8611022,30.78868439,0.278380492,66.09897751,10.29707242,86.5860557,16.47917799,17.61702082,25.03593941,3.228783027,26.12187001,2.672716021,83.43935519,2.381703313,38.21402035,3.741315663,23.3634532,0.442181531,4.442085914,8.501570032,0.408132216,12.19872043,0.001967107,37.86011847,2.481174052,8.69407212,7.72309459,4.58E-04,15.40234831,0.784454802,38.57974331,5.223156355,0.369315406,4.937489387,0.225540611,14.29003674,2.691165377,15.20394151,4.09755331,0.129856735,4.45551685,0.339250441,28.3365801,7.535941189,30.3553645,7.603108561,27.24081519,4.591951763,2.26066774,25.62085735,2.922648788,20.22199477,0.020491566,25.71755432,8.899118957,6.998993145,12.39939388,3.39E-04,25.63492724,3.20683405,36.66517521,8.700652146,0.217655484,10.12182843,1.137558541,21.5083353,4.510856307,11.91811529,6.02949255,0.342916224,6.422476188,0.485037509,29.85160444,26.78684771,38.21864841,42.19893013,107.1501507,55.68343475,5.132510724,89.85976938,34.51807206,77.00234468,0.248732626,42.69919709,45.17202793,19.56868457,41.80846404,0.001623895,103.0522579,20.25494854,112.6914315,29.06776338,0.371031121,60.98857135,9.276439971,88.1241098,15.62042649,20.10005052,24.09724552,2.914002429,25.23624449,2.871547878,91.73304954,11.02118626,27.37043487,8.704048457,33.77928574,9.969359204,1.846180987,37.31144044,6.224737036,26.2007073,0.044508166,21.22374509,14.20165054,7.525290584,16.29828857,3.74E-04,31.39078737,5.450813476,38.37317226,11.50969537,0.184182184,15.69433052,2.103112334,27.00732785,5.989252409,10.77782785,7.888762151,0.618983437,8.34604055,0.586222622,31.5611985,34.13740998,36.68834916,50.12253219,151.6923088,91.13665338,4.78003076,114.970596,56.37533886,103.6248683,0.407134581,41.6456776,64.89047868,25.42796391,57.50310556,0.002331778,127.3764875,30.48366786,136.3133032,39.57165284,0.334612331,91.98506273,14.53767579,115.5789747,21.29490129,20.55260857,33.40460699,4.623388499,34.69673074,3.787209835,108.2576144,20.41360428,51.22014641,48.3787834,80.11087939,27.24517969,11.73882012,63.66648615,17.0605861,60.82359504,0.121679095,63.16844595,27.82340234,22.06647475,29.16744246,0.001345384,100.3304389,11.63101542,118.9172123,20.73232943,0.805333147,36.82479959,4.957638254,77.60519471,11.56536184,26.10818778,17.63659149,1.607074003,18.86074937,2.811792924,100.5109337,268.271687,0.77898148,0.464545561,0.99538606,0.002890306,0.569728701,0.706968559,0.59266954,269.515214,333.9649694,700.5602995,0.99307909,1.869366799,254.5402613,0.280789475,0.081034138,0.998580539,0.001101558,0.512900603,0.09200975,0.018069662,254.9020849,92.12143053,352.8152057,0.997870808,0.622980014,262.7927433,0.488984063,0.237295787,0.997243919,0.001855593,0.546696728,0.278925218,0.154877429,263.5190232,190.977108,484.988987,0.995865878,0.980499375,266.5369275,0.74335833,0.438347706,0.995586015,0.00277664,0.562384302,0.643789783,0.527805428,267.7186336,315.2941456,669.8636821,0.993379022,1.733979513,266.2604569,0.594745468,0.317814394,0.996584386,0.002226069,0.561219522,0.412519102,0.2776878,267.1730167,243.1676244,560.6688387,0.994876579,1.251426425,268.5143803,0.809637318,0.489109878,0.995186494,0.003000734,0.570759781,0.763549785,0.656879145,269.8131275,349.1283,725.2735543,0.992779741,1.991188712,268.4203624,0.756459209,0.447917039,0.995533139,0.0028056,0.570360171,0.666561369,0.551075447,269.6247387,323.6179399,684.19181,0.993299708,1.787996987 +UMLCP0030,L,CCCCCCCCCCCCCOCCOCCOCCOCCOCCO,C13E5,27,0,-4.2199,17.80755601,100.4206,77.298064,0,0,77,29,48,0,23,0,6,0,0,0,0,0,0,0,4902.653861,5151.454064,5649.721399,5584.304654,5183.749161,5097.834128,4950.469079,4581.897346,4475.838441,12531.25313,16004.44645,20719.25158,21469.96758,21033.44999,20259.34152,18955.16545,18422.20459,17654.65309,576.028436,582.561368,1105.582516,1389.4616,1275.243828,1387.536656,1233.891116,1129.911952,1205.91678,89.34534343,115.0153906,160.18346,177.6043093,177.2619706,168.6313651,156.3989516,154.4949316,146.4009798,12905.0252,11224.22469,23131.06004,31110.70006,28968.22816,31669.08523,27623.51888,25614.85288,27447.79243,198.75,178.5,311.25,375,291.75,339.5,334.25,263,298.75,63.67082936,67.78229032,39.23417638,30.0231433,29.28671842,27.11613898,30.0028429,29.37113683,27.45913154,162.7435472,210.5848217,143.8836915,115.4299332,118.8330508,107.7624549,114.8797906,118.0910551,108.3107551,7.480888779,7.665281158,7.677656361,7.470223656,7.20476739,7.380514128,7.478127976,7.243025333,7.398262454,1.160329135,1.513360402,1.112385139,0.954861878,1.00148006,0.896975346,0.947872434,0.990352126,0.89816552,167.5977299,147.6871669,160.6323614,167.2618283,163.662306,168.452581,167.415266,164.1977749,168.3913646,2.581168831,2.348684211,2.161458333,2.016129032,1.648305085,1.805851064,2.025757576,1.685897436,1.832822086,1.084901254,-0.258573258,-0.61149844,0.497627859,-0.057189151,-0.378868045,0.404520295,-0.056006492,-0.286634814,2604.855963,69.92708944,-1133.425471,-47.39986465,178.9341709,170.2084382,-49.57630035,121.5998626,104.5573033,3601.654447,-353.6739879,-1377.359945,170.1995886,-523.9678837,377.525237,137.3584922,-400.429087,271.2388089,6.036072312,-0.002925087,-2.187220895,2.726601844,0.748664219,-1.000823514,2.011004319,0.389898901,-0.958266634,15.84843937,-3.21868948,-5.097829773,3.571279113,-4.715313729,1.158684918,2.820015116,-3.636157226,0.775961556,88.34704239,-20.39914018,-26.77305129,25.72823825,-29.47649752,4.848344143,20.22406883,-22.84942043,2.960601031,51.44805195,-1.143531793,-16.31518806,15.74886153,6.567465003,-6.243295665,12.28014842,4.033816833,-6.299122955,0.014089627,-0.00340228,-0.004246517,0.002675419,-3.23E-04,-0.002015256,0.002451638,-3.59E-04,-0.001758496,33.82929822,0.920093282,-7.871010215,-0.254837982,1.010927519,0.905364033,-0.300462426,0.779486299,0.641455849,46.77473308,-4.653605104,-9.564999616,0.915051551,-2.96027053,2.008112963,0.83247571,-2.566853122,1.664041772,0.07839055,-3.85E-05,-0.015189034,0.01465915,0.004229741,-0.005323529,0.012187905,0.002499352,-0.005878936,0.205823888,-0.042351177,-0.035401596,0.019200425,-0.026640191,0.006163218,0.017091001,-0.0233087,0.0047605,1.147364187,-0.268409739,-0.185923967,0.138323862,-0.166533884,0.025789065,0.122570114,-0.146470644,0.018163197,0.668156519,-0.015046471,-0.113299917,0.084671299,0.037104322,-0.033209019,0.074425142,0.0258578,-0.038644926,-0.241474085,-0.301393148,0.189885698,-0.022931945,-0.143031154,0.17400306,-0.025480872,-0.124807834,0.027198119,-0.232668445,-0.007533056,0.029883195,0.02676272,-0.008881722,0.023041752,0.018961548,-0.09948972,-0.204490736,0.019562945,-0.063287812,0.042931575,0.017797551,-0.054876917,0.035575655,-4.91E-04,-0.193761035,0.187001492,0.053957287,-0.067910346,0.155476713,0.031883332,-0.074995474,-0.20576415,-0.171999451,0.093285699,-0.129431966,0.029944132,0.083037012,-0.113245845,0.023128998,-0.233935957,-0.162044423,0.120557939,-0.145144747,0.022476791,0.106827558,-0.127658372,0.015830367,-0.022519381,-0.169570922,0.126723748,0.055532381,-0.049702455,0.111388784,0.038700214,-0.057838134,1.253793043,1.618631923,0.871265756,0.580881638,1.107460007,0.916736609,0.669995393,1.125499697,1.16892799,1.377123127,1.015704843,0.876901951,0.943552709,1.021013961,0.899633896,0.959939193,1.53309698,1.316910945,0.948922495,1.12243718,0.896323598,0.946061577,1.099780373,0.904187097,0.93700004,1.553838906,0.92070744,0.481912869,1.080677253,0.976041852,0.593058858,1.120134015,1.754364737,1.317735202,0.871163786,1.207112063,0.89656799,0.87545676,1.172965473,0.904022669,1.800253341,1.325734887,0.847256204,1.211172145,0.90267521,0.855568803,1.178009557,0.911043284,0.966994825,1.305389022,0.808101906,0.404774485,0.927190163,0.863948841,0.485304064,0.985567374,522.2628105,261.8814053,413.935429,523.6593623,18.05721939,261.8814053,1.5,0.1352781,0.004664762,-5.801225591,382.7996907,13.19998934,17.24778437,522.4421366,261.968865,414.0755505,523.8345857,18.06326157,261.968865,1.495593475,0.134828751,0.004649267,-5.810874478,381.8692087,13.16790375,17.24072668,682.1222244,339.8641287,541.8734794,679.8933587,23.44459857,339.8641287,-2.393966868,0.157420132,0.00542828,-5.361627439,395.4365143,13.63574187,17.34197174,522.6303452,262.060657,414.2226241,524.0184885,18.06960305,262.060657,1.490968801,0.134357512,0.004633018,-5.821028001,380.9143949,13.13497914,17.23346653,852.350746,422.9284902,681.5713954,846.3048263,29.18292504,422.9284902,-6.493765586,0.325946779,0.011239544,-3.250961383,279.0208373,9.621408183,16.33073075,541.0553632,271.0470842,428.6751074,542.0225266,18.69043195,271.0470842,1.038805115,0.09000376,0.003103578,-6.982921108,343.6566469,11.8502292,16.93496481,456.0426412,229.2640865,363.3296023,458.2872934,15.80301012,229.2640865,3.492753623,0.363657898,0.012539928,-2.933470912,307.8257444,10.61468084,16.61564819,0,11.99613704,16.00080778,-0.41839233,0.093338413,3.719668707,7.594611667,28,76,76,76,28,0,0,0,0,0,62.053936,3.543889765,3.486581059,3.451408973,3.390630375,3.308339344,3.223210171,3.110960026,2.997686841,1.945138629,1.865556984,1.747557521,1.722442237,1.673328747,1.608001054,1.557374494,1.493649542,3.565244378,3.463494363,3.366761781,3.318854038,3.266434802,3.174300507,3.071568656,2.990038707,1.888046291,1.812009685,1.757682367,1.71187115,1.666811752,1.596297713,1.513335534,1.447154245,3.691067823,3.616514784,3.587568011,3.527471847,3.458930137,3.384108144,3.280484171,3.189760763,1.711454118,1.617162228,1.499532907,1.471006675,1.419050654,1.334200197,1.254461323,1.182841988,3.585072831,3.481402157,3.349730096,3.319576381,3.262735327,3.170124307,3.081516262,3.003874844,1.852601256,1.787901582,1.762265664,1.708509792,1.647854808,1.581160887,1.489822061,1.411793508,3.74839166,3.665789864,3.618590293,3.56394765,3.508909295,3.433811763,3.3370205,3.259396832,1.65680616,1.560856731,1.464366161,1.421893931,1.372495055,1.284924842,1.191587237,1.115998138,4.571201954,3.850195727,3.775194481,3.662730476,3.610527079,3.525593702,3.456127271,3.329634372,1.786131212,1.684511947,1.529314085,1.459375811,1.406874795,1.343435259,1.298411923,1.228526926,0,0,0,0,0,12,11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.09188309,14.41421356,9.838834765,6.707106781,4.565863992,3.103553391,2.106155301,1.426776695,0.727306314,0.514793342,0.364401288,0.257965645,0.18263456,0.129314725,0.09157197,0.064853486,19.04480423,11.91008589,7.321002882,4.615887057,2.914602314,1.813926593,1.143253174,0.719486464,0.656717387,0.42536021,0.271148255,0.177534118,0.116584093,0.075580275,0.04970666,0.03270393,40.29266192,76.29206118,72.50588235,73.64,45.04674491,594.8625533,0.523281324,0.990805989,0.941634836,0.956363636,0.585022661,7.725487705,4.3727,117.6418,291.7721197,462.3611151,583.5442393,20.12221515,291.7721197,4.44E-16,1.53E-17,-102.516468,2000202.582,68972.50284,42.07540117,1176,1,0,6,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,23,0,0,0,0,0,0,0,0,0,0,0,1,0,22,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.691692567,0,35.4454873,0,0,3.515172851,0,0,3.683104138,0,0,3.744809235,0,0.691692567,0,0,0,0,0,0,0,0,0,0,0,0,0,9.941264597,0,0,0,0,0,0,0,0,0,0,0,2.271304935,0,20.78320777,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.543617853,0,26.90186945,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.691692567,0,5.081987318,0,0,3.515172851,0,0,3.683104138,0,0,3.744809235,0,0.691692567,0,0,0,0,0,0,0,0,0,0,0,0,0,0.215620958,0,0,0,0,0,0,0,0,0,0,0,2.271304935,0,0.049115331,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.543617853,0,5.081987318,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.691692567,0,8.543617853,0,0,3.515172851,0,0,3.683104138,0,0,3.744809235,0,0.691692567,0,0,0,0,0,0,0,0,0,0,0,0,0,0.656859568,0,0,0,0,0,0,0,0,0,0,0,2.271304935,0,1.423480783,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.543617853,0,5.602904953,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,58.5,2.017241379,0.691692567,8.543617853,-0.057610799,0.049115331,10.99870987,1.450884669,2.543617853,24.43358447,1.450884669,2.543617853,24.43358447,13.49998,0.46552,0,0.03448,0.51039,0.85862,0.43034,0.51039,0.84,0.08005,0,-0.08005,0.01862,0.54217,0.17212,0,0.06173,0,0,16.75,0.57759,16.75,0.57759,0,0,-16.75,-0.57759,0,0,35.45996,1.22276,44.57373,9.11377,0.31427,11.55736,0.39853,14.41421,2.85685,0.09851,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,28.06,6,6,6,6,1,1,1,1.232631995,1.73713963,2.764992135,3.4547908,3.907260446,4.275966414,94.91266361,133.7597515,212.9043944,266.0188916,300.8590543,329.2494138,0.196692832,0.27719783,0.441213709,0.551285859,0.623487081,0.682322014,5.034154546,4.529646911,3.501794405,2.81199574,2.359526095,1.990820127,0.197286539,0.278034536,0.442545489,0.552949885,0.625369042,0.684381566,11.26566754,16.52102947,20.27625279,23.30245649,25.76560421,27.41123397,106.029646,84.83763025,75.78158132,61.83612269,51.21502856,43.43350681,29,28,28,29,0,13,3.33,3.7015,0,2.270220241,0,0,0,0,0,0,0,0,0,0.639753249,1.892080006,0,0,0,0,0,0,0.259,1.44,1.505,1.307,0.304,13.829,27,26,25,24,23,22,21,20,19,264,3.36729583,3.33220451,3.295836866,3.258096538,3.218875825,3.17805383,3.135494216,3.091042453,3.044522438,2.995732274,5.579729826,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26,0.928571429,28,1,2,14,28,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.017857143,0.008230453,0.004807692,0.0032,0.002314815,0.001774623,0.001420455,0.001175779,0.001,8.70E-04,0.053666312,291.7721197,462.3611151,583.5442393,20.12221515,291.7721197,4.44E-16,1.53E-17,-102.516468,2000202.582,68972.50284,42.07540117,66.38,459.1054653,5.857980995,4.709530201,5.379897354,6.056784013,6.73459166,7.41517511,8.095903533,8.778171881,9.460398456,10.14364553,123.7740977,4.043051268,0,5.105945474,0,6.285998095,0,7.520234556,0,8.785233624,9.123256265,420.3450893,5.459027133,56.82842713,1.959600935,17.33045062,17.33045062,0,4060,26,5.022,110,1.244289474,2.131375805,2.851388116,3.627820472,4.850430247,5.92394872,7.159811054,8.178065182,9.503031618,10.60861235,96.67395924,91.4556023,103.5844492,134.3351645,156.3319198,207.9053764,238.9291118,255.110716,314.4193271,344.1655976,285.7001903,324.5900718,363.3396407,503.5550483,578.9775016,753.4885729,911.9325398,961.2101487,1152.155006,1318.769453,9.621399298,16.41910484,21.42833125,26.49758886,36.05454801,44.75604458,52.18235785,60.92881681,71.52504594,77.78451352,1.994961569,2.471171063,2.899175629,4.054815377,4.65691833,6.032811585,7.453480636,7.77062985,9.296272248,10.7781154,182.0017193,339.4040639,473.6271006,579.9640516,808.0843242,979.4691173,1165.105525,1363.467913,1582.311295,1736.067987,3.044842105,4.701973916,6.040601439,6.484912349,9.141529503,12.72283996,12.53967313,15.5774063,19.98393853,18.98836985,0.456760646,0.586818161,0.674481982,0.920820302,1.10424607,1.413808457,1.706925401,1.849901117,2.194595299,2.49362574,1107.524671,3215.327509,55.12264393,274.9447441,-798.2101186,-52.19057864,832.5799272,4013.537628,107.3132226,0.801120559,2.325785636,0.039872596,0.198879441,-0.577379948,-0.037751706,1531.118985,4445.091942,76.20536933,380.1026997,-1103.501076,-72.15187875,0.0722771,0.135498831,3.242604663,6.328518725,1226.823118,155.6462974,0.887414292,0.112585708,2129.865563,46.15046656,12.86621281,2603.187191,51.02143855,13.7563051,3823.533863,61.83473023,15.6370556,6.017993404,6.017993404,42270.50964,42184.38726,162.7363543,1.00204157,259.7484122,259.219198,9.948613172,17.44136308,34.07440007,0.953654649,13.82266438,20.33520516,23.56299137,84.51260742,23.86420752,7.334949817,36.2455276,28.77968783,48.30619561,0.945275466,30.53932316,37.81039214,51.38385341,41.83417672,3.561743065,24.86387526,20.64199227,25.34875603,30.99871368,21.86561288,15.21305255,15.32150248,20.01473167,17.36952694,23.60378457,17.03788199,32.87827972,17.37079363,7.19527233,21.39070036,1.179946685,21.73210562,2.367096949,15.11564406,0.171565024,9.311716842,3.132053187,3.93491163,10.4382765,0.025560519,8.35650081,2.40367967,16.37341859,8.073049251,1.535765149,3.941930501,0.712946839,4.531010329,5.454346902,12.44473191,3.318999808,4.203996046,3.151804886,2.9007449,4.524092343,3.373210291,7.434268378,3.055579663,2.811451685,3.396731668,3.689559218,19.13355091,4.720274546,21.33454153,1.760430994,5.504995458,8.762192795,4.29527959,15.26780237,0.117348238,9.576607371,8.145563713,16.98485638,12.94662018,1.257762506,6.680096998,2.916928819,6.545334601,9.328842001,10.72810658,4.526637833,3.619794521,4.878029667,5.089952592,6.346136597,4.873037706,8.808593969,4.498039705,2.577580198,5.362341756,13.27042605,21.72723317,27.71823289,78.96051171,21.26503328,9.756395584,34.50907646,26.9961616,45.66749189,0.855029148,31.07429037,35.16505507,51.20451721,39.45297304,3.732071601,23.96400796,18.76417929,26.8501393,29.16880882,23.40380036,14.8968049,16.3199792,18.94604788,16.32264326,25.05713098,16.4817445,31.99853412,16.63182082,7.725945187,20.29529851,5.37083007,18.14610909,5.362075,27.81901302,3.815314718,4.656966245,12.78737984,5.992375192,19.28010702,0.208845917,11.18264179,12.5161304,20.29445231,16.79976184,1.295294104,8.850677108,4.98294857,7.821289134,12.33986119,11.39021808,5.582874873,3.789844946,6.526045436,6.795831906,7.488749304,6.193237939,11.21790268,5.873273831,2.663953972,7.160135386,16.87349928,21.21720183,33.32857607,113.0161552,34.79239058,8.931237385,45.86121213,40.75916871,61.95958459,1.31795695,39.14498416,48.39047552,65.68242072,52.99335342,4.528415627,32.10978489,28.34976745,34.1281866,39.10339324,26.39125082,19.81246664,21.34843224,26.41939481,21.96551284,31.69143794,22.04946777,43.07394639,22.74010775,9.329012353,28.05757221,10.52250941,26.13908518,32.0906425,52.38398635,10.31561755,22.6744923,24.02608525,18.48263724,32.07560489,0.460471882,28.82622077,22.68575694,53.07537031,27.73021648,4.089328771,17.51447359,10.54599163,26.4057079,20.52449333,33.3889393,11.56044703,17.73902731,13.06000734,11.66384305,25.45299278,12.35732747,29.69903031,12.02546119,9.815125923,14.11581513,103.5860626,0.792308634,0.493630677,0.987738011,0.007555006,0.558997444,0.69597432,0.59739872,104.8720019,133.5964978,278.9818216,0.981607017,1.852370484,102.3486193,0.296645004,0.091086103,0.99622596,0.00288744,0.545723853,0.097585506,0.020340623,102.7363504,39.7107637,145.2125981,0.99433894,0.663649982,101.7071218,0.502152034,0.25556313,0.99260512,0.004900725,0.538903387,0.279650162,0.160123989,102.464837,77.19335999,192.7104291,0.98890768,0.978677537,103.8564179,0.762667508,0.470270767,0.988267715,0.007257324,0.561919196,0.644890395,0.542195576,105.0893562,128.4072129,270.7457362,0.982401573,1.749005167,101.7270915,0.602904942,0.336902329,0.990846054,0.005872437,0.539114567,0.403120903,0.278271053,102.6668987,95.80698029,219.1366939,0.986269081,1.220506523,103.9394407,0.824427663,0.520294158,0.987227691,0.0078305,0.562817866,0.753476033,0.663678737,105.2841626,140.198579,290.0670343,0.980841537,1.979972637,104.3514006,0.7722343,0.477917036,0.98816162,0.007312717,0.567288132,0.661107224,0.559970344,105.6015519,130.8241068,274.9379964,0.982242429,1.7883657 +UMLCP0031,L,CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO,C13E6,42,0,-4.3508,18.92946064,111.4641,84.287236,0,0,84,32,52,0,25,0,7,0,0,0,0,0,0,0,5451.21436,5728.474515,6293.281946,6245.801473,5813.26222,5747.491059,5611.965898,5211.410405,5125.495372,13719.01269,17492.36882,22597.39596,23444.72812,23104.6538,22323.98837,20929.92599,20493.4084,19719.29993,631.33504,638.64018,1212.982928,1511.123404,1386.667024,1535.247852,1355.55292,1241.335148,1353.627976,97.34479905,124.9371478,173.133515,192.1970141,193.4163567,184.2490976,170.9916564,170.6493177,162.0187123,14083.73581,12270.19589,25287.60365,33642.63797,31366.36016,34935.13475,30155.45679,28012.98488,30713.84195,219.5,197.25,346,415.75,320.5,380.25,375,291.75,339.5,64.89540905,69.01776524,40.08459838,31.07363917,30.2774074,27.76565729,31.17758832,30.47608424,28.16206248,163.3215797,210.7514316,143.9324584,116.6404384,120.3367385,107.8453544,116.2773666,119.8444936,108.3478018,7.515893333,7.69446,7.726005911,7.518026886,7.222224083,7.41665629,7.530849556,7.259269871,7.437516352,1.158866655,1.505266841,1.102761242,0.95620405,1.007376858,0.890092259,0.949953647,0.997949226,0.890212705,167.6635215,147.8336854,161.0675392,167.3763083,163.3664592,168.7687669,167.5303155,163.8186251,168.7573734,2.613095238,2.376506024,2.203821656,2.06840796,1.669270833,1.836956522,2.083333333,1.706140351,1.865384615,1.250000578,-0.290099281,-0.72440214,0.591033945,-0.058361136,-0.471102146,0.497926381,-0.057178477,-0.378868914,2880.6046,95.01107128,-1252.34246,-78.81092988,208.2817454,214.4441418,-81.02477788,149.805953,146.2698572,3917.487598,-409.2416616,-1453.303418,200.8590086,-654.4887955,488.1012282,168.1384601,-530.0501683,380.5518038,6.971990667,-0.015217444,-2.704554556,3.136637,0.915412,-1.316341,2.41916,0.534500333,-1.281535778,17.22446464,-3.822866327,-5.300033422,4.303149921,-5.806642592,1.518067682,3.551734885,-4.728866502,1.136071455,96.18986685,-24.32100739,-27.86967518,30.96350915,-36.22725891,6.402184699,25.45637754,-29.62800938,4.526150467,56.53571429,-1.082908163,-19.37627551,17.34311224,7.704081633,-7.909438776,13.85204082,5.070153061,-8.017857143,0.014880959,-0.003495172,-0.004614026,0.002940467,-3.04E-04,-0.002275856,0.002766258,-3.34E-04,-0.002081697,34.2929119,1.144711702,-7.976703564,-0.392094178,1.084800757,1.035962037,-0.450137655,0.876058205,0.803680534,46.63675712,-4.930622429,-9.25670967,0.99929855,-3.40879581,2.357976948,0.934102556,-3.099708586,2.090943977,0.082999889,-1.83E-04,-0.017226462,0.015605159,0.004767771,-0.006359135,0.013439778,0.003125733,-0.007041405,0.20505315,-0.04605863,-0.033758175,0.021408706,-0.03024293,0.00733366,0.01973186,-0.02765419,0.006242151,1.145117462,-0.293024185,-0.177513855,0.154047309,-0.18868364,0.030928428,0.14142432,-0.173263213,0.024868959,0.673044218,-0.013047086,-0.123415768,0.086284141,0.040125425,-0.038209849,0.076955782,0.029650018,-0.04405416,-0.234875454,-0.310062429,0.197599317,-0.020426388,-0.152937437,0.185892429,-0.022470128,-0.139889996,0.033380417,-0.232605023,-0.01143368,0.031633381,0.030209218,-0.013126259,0.025546335,0.023435762,-0.105723955,-0.198485277,0.021427274,-0.073092471,0.050560483,0.020029321,-0.066464925,0.044834678,-0.002208951,-0.207548014,0.188014218,0.057443099,-0.07661619,0.16192525,0.037659483,-0.084836323,-0.224618009,-0.164631339,0.104405643,-0.147488249,0.03576468,0.096228029,-0.134863522,0.030441624,-0.255890068,-0.155018031,0.134525334,-0.164772302,0.027008957,0.12350202,-0.151306061,0.021717387,-0.019385184,-0.183369479,0.12819981,0.059617814,-0.056771677,0.114339861,0.044053596,-0.065455076,1.247955373,1.651467845,0.889128057,0.576741652,1.138633768,0.936020199,0.657010662,1.166161544,1.146608322,1.377227148,1.027355733,0.87339966,0.944768155,1.034995003,0.894788938,0.961040406,1.533224779,1.300701934,0.946723574,1.14211796,0.884048927,0.943384602,1.123222246,0.888934352,0.936274346,1.584660902,0.941973779,0.477053714,1.107865527,0.998267738,0.575552706,1.153102015,1.774813695,1.300522557,0.859201013,1.238158108,0.883477976,0.861265822,1.209947773,0.887790333,1.824930987,1.310331497,0.833369091,1.243226092,0.891083412,0.839089598,1.216361115,0.896629053,0.959570436,1.348873984,0.838130887,0.409079543,0.957455574,0.893093283,0.482927154,1.014359298,629.8698537,315.8099268,498.4249472,631.5104787,19.73470246,315.8099268,1.75,0.133130376,0.004160324,-6.452564358,404.5697309,12.64280409,19.20903715,630.106473,315.925666,498.612414,631.7422783,19.7419462,315.925666,1.744859054,0.132679242,0.004146226,-6.463426493,405.1512158,12.6609755,19.21363318,840.5863155,418.8966771,668.4124136,837.9679143,26.18649732,418.8966771,-2.792961346,0.149077709,0.004658678,-6.09052023,398.9400945,12.46687795,19.16419605,630.354812,316.0471378,498.8091782,631.9855591,19.74954872,316.0471378,1.739463602,0.132206199,0.004131444,-6.474855872,405.7722094,12.68038154,19.21853421,1064.613499,528.5187195,852.3734808,1057.510943,33.04721696,528.5187195,-7.57605985,0.303575734,0.009486742,-3.814797324,358.2731772,11.19603679,18.82014643,654.6631332,327.9375362,518.1263294,655.7993263,20.49372895,327.9375362,1.211939301,0.087986714,0.002749585,-7.777822258,748.9047702,23.40327407,21.17955787,540.0106396,271.4428232,428.1947435,542.6318369,16.9572449,271.4428232,4.060952381,0.371535737,0.011610492,-3.168352714,532.1906791,16.63095872,20.0864059,0,11.99612918,16.00167225,-0.418403673,0.093838476,3.71966167,7.594616506,31,83,83,83,31,0,0,0,0,0,68.342764,3.543897044,3.490241716,3.460184419,3.41302582,3.342760436,3.267619157,3.180743937,3.073430115,1.94513863,1.865556987,1.747717715,1.727812875,1.68995826,1.635581882,1.580854479,1.536375885,3.565244379,3.463495056,3.372201376,3.33104152,3.287472065,3.219529605,3.126377584,3.043466813,1.888046301,1.812016007,1.762731967,1.724566585,1.683401176,1.631813531,1.55751938,1.489917947,3.69106822,3.61724347,3.594883377,3.547075593,3.484850688,3.423628026,3.341581717,3.247928962,1.711454119,1.61716229,1.502935589,1.477614172,1.439643604,1.372983678,1.293830088,1.231448981,3.585072831,3.481402206,3.353279888,3.326682198,3.285246374,3.212735444,3.125855818,3.056548895,1.852601727,1.788639334,1.768780075,1.725875463,1.670413003,1.616136026,1.542723791,1.461309244,3.748391689,3.665818103,3.62468719,3.580174372,3.528733632,3.473068528,3.390922045,3.308942147,1.656806161,1.560857178,1.469286539,1.432230964,1.39259742,1.327075726,1.240282048,1.165988834,4.575010586,3.858644392,3.802603172,3.71409166,3.624838384,3.586643736,3.501951988,3.424603989,1.78509453,1.683471942,1.528266252,1.463651293,1.423682064,1.368026014,1.320525529,1.273106413,0,0,0,0,0,14,11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.21320344,15.91421356,10.89949494,7.457106781,5.096194078,3.478553391,2.371320344,1.614276695,0.725412607,0.513361728,0.363316498,0.257141613,0.182006931,0.128835311,0.091204629,0.064571068,20.86726609,12.98743616,7.933375318,4.987895525,3.134515517,1.938926593,1.219189084,0.764376058,0.652102065,0.418949554,0.264445844,0.171996397,0.111946983,0.071812096,0.046891888,0.030575042,44.09111663,83.39839767,79.30588235,80.56,49.12409341,649.0735844,0.524894246,0.992838067,0.944117647,0.959047619,0.584810636,7.727066481,4.3893,128.4608,355.3478262,563.0203573,710.6956523,22.20923914,355.3478262,1.11E-16,3.47E-18,-117.5577618,385.0723467,12.03351083,19.05097994,1442,1,0,7,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,25,0,0,0,0,0,0,0,0,0,0,0,1,0,24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.691334393,0,40.93954884,0,0,3.513356242,0,0,3.679815673,0,0,3.737859935,0,0.691334393,0,0,0,0,0,0,0,0,0,0,0,0,0,11.33809179,0,0,0,0,0,0,0,0,0,0,0,2.271447184,0,21.78900398,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.552261089,0,32.38728775,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.691334393,0,5.081992559,0,0,3.513356242,0,0,3.679815673,0,0,3.737859935,0,0.691334393,0,0,0,0,0,0,0,0,0,0,0,0,0,0.216597521,0,0,0,0,0,0,0,0,0,0,0,2.271447184,0,0.043059956,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.552261089,0,5.081992559,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.691334393,0,8.552261089,0,0,3.513356242,0,0,3.679815673,0,0,3.737859935,0,0.691334393,0,0,0,0,0,0,0,0,0,0,0,0,0,0.665124031,0,0,0,0,0,0,0,0,0,0,0,2.271447184,0,1.421740987,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.552261089,0,5.618838625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,65,2.03125,0.691334393,8.552261089,-0.064157427,0.043059956,11.4835651,1.456940044,2.552261089,28.42199205,1.456940044,2.552261089,28.42199205,14.83331,0.46354,0,0.03646,0.51627,0.86771,0.43061,0.51627,0.85051,0.08566,0,-0.08566,0.0172,0.53421,0.18008,0,0.05618,0,0,18.75,0.58594,18.75,0.58594,0,0,-18.75,-0.58594,0,0,39.60005,1.2375,50.60683,11.00678,0.34396,12.55365,0.3923,15.91421,3.36057,0.10502,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,31.07,7,7,7,7,1,1,1,1.247427488,1.737996809,2.735571427,3.387538387,3.817971896,4.17403424,104.783909,145.9917319,229.7879999,284.5532245,320.7096392,350.6188761,0.195144797,0.271888377,0.427946744,0.529939013,0.597275079,0.652976685,5.144889935,4.654320614,3.656745995,3.004779036,2.574345527,2.218283183,0.19567369,0.272625264,0.429106589,0.531375284,0.598893848,0.654746419,11.45459191,16.60547923,20.17261132,23.05819658,25.44159315,27.07770833,117.0580028,94.32954009,85.28176976,70.99540507,59.89378353,51.48505483,32,31,31.03448276,32,0,13,3.44,4.042,0,2.257214376,0,0,0,0,0,0,0,0,0,0.668048377,2.491141646,0,0,0,0,0,0,0.259,1.651,1.731,1.492,0.318,15.187,30,29,28,27,26,25,24,23,22,297,3.465735903,3.433987204,3.401197382,3.36729583,3.33220451,3.295836866,3.258096538,3.218875825,3.17805383,3.135494216,5.697093487,1,0.483870968,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,29,0.935483871,31,1,1,16,31,0.9375,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.016129032,0.007407407,0.004310345,0.002857143,0.002057613,0.001569859,0.00125,0.001028807,8.70E-04,7.51E-04,0.048282431,355.3478262,563.0203573,710.6956523,22.20923914,355.3478262,1.11E-16,3.47E-18,-117.5577618,385.0723467,12.03351083,19.05097994,75.61,502.4876613,6,4.812184355,5.484796933,6.163314804,6.842683282,7.524561226,8.206583614,8.889997357,9.573384986,10.25769445,130.755201,4.143134726,0,5.209486153,0,6.391917113,0,7.628031127,0,8.894670263,9.232004012,464.371304,5.52822981,62.82842712,1.963388348,20.33044838,20.33044838,0,5456,29,4.832,122,1.245120482,2.130409945,2.850709974,3.632215555,4.841978843,5.925733013,7.150252829,8.155424278,9.492391138,10.59182492,98.30920168,93.26853355,107.0724588,138.6425802,159.7695869,215.5791194,247.3676456,260.9682919,327.5413741,357.7585801,285.7577307,324.2878127,366.9723727,509.4967126,578.4468411,761.7010626,923.5782109,959.1574148,1166.56382,1339.182988,9.669075432,16.51600824,21.56685831,26.60570704,36.18001551,45.10370685,52.24733954,61.10593387,72.02144949,77.8223709,1.98286244,2.447149474,2.902286905,4.075693743,4.611812847,6.04060145,7.49381995,7.679749459,9.312661936,10.8636888,182.3724668,340.2128463,473.8820858,579.7461499,808.2672974,980.8024414,1160.965471,1362.788353,1581.880327,1728.14079,3.087153614,4.792084256,6.20344035,6.582490586,9.291515838,13.09756699,12.68814085,15.82674003,20.60121346,19.17002177,0.457649357,0.587170693,0.679990457,0.930240269,1.104371979,1.426459036,1.724106774,1.847955747,2.21557764,2.523158768,1168.06326,3830.235217,55.07206137,282.6055587,-926.7013188,-54.92753028,885.4577012,4756.936535,109.9995916,0.805189472,2.640323668,0.037963221,0.194810528,-0.638809704,-0.037863591,1694.472949,5556.402797,79.89132221,409.967072,-1344.336707,-79.68165546,0.063990196,0.119963264,1.221657804,4.615580141,1313.133893,137.5349258,0.905192058,0.094807942,2387.30693,48.86007501,13.36501405,2899.376703,53.84586059,14.25940973,4318.197147,65.7129907,16.28423978,6.601327564,6.601327564,56259.50968,56164.30926,178.4728681,1.001695034,315.2272402,314.6938235,10.57365913,19.0240728,37.55886441,0.974280944,14.93826679,22.04924444,27.0824749,90.55343517,24.40300138,8.715576856,41.53423791,33.39729326,49.81050189,0.945369352,37.02672723,37.90871131,63.25030259,41.83475625,3.872681223,28.78350383,20.94154955,28.29041601,30.99871368,28.07526747,15.45067727,17.98028635,20.91208527,17.37420929,28.91969238,17.03788204,47.29069457,17.37079364,8.989443232,24.34135068,1.273571704,23.70022207,2.740514485,15.85508746,0.175363545,11.16170452,3.480582861,4.75869026,10.53484066,0.025651967,9.816048078,2.404372799,20.29521212,8.073053361,1.933700106,4.171253171,0.723391911,4.983103927,5.454346903,16.41899382,3.32067445,5.812226999,3.160704247,2.904508908,5.160285848,3.373210308,10.64279013,3.055579663,4.155892292,3.428489589,3.991791503,20.62919631,5.389598454,22.74073266,1.799979722,6.589160652,9.950094588,5.02412779,15.5983458,0.117439748,11.3731313,8.15278054,21.01453965,12.94666279,1.473838452,7.481914217,2.947757891,7.162621016,9.328842002,14.06093858,4.544080794,4.70702713,4.95042007,5.093877355,7.289064182,4.873037721,12.77058471,4.498039706,3.421667851,5.606911999,14.32346379,23.69437884,32.04097071,84.78187024,21.74510198,11.60418149,39.43555735,31.3859797,47.0670774,0.855122816,37.63477514,35.25265797,63.06491635,39.45348942,4.144283195,27.59534018,19.03239143,30.52274773,29.16880882,30.17207486,15.10852496,19.72965419,19.74731563,16.32726903,31.20242249,16.48174454,45.95225258,16.63182083,10.0435065,22.93176616,5.816264741,19.4622113,6.053797174,29.7856389,3.901211643,5.571215491,14.60167102,6.925496103,19.78703042,0.208937603,13.37815483,12.53180487,25.08357357,16.79985432,1.441836493,10.09877147,5.03924169,8.415626236,12.33986119,14.86034872,5.620760776,4.627331155,6.677015911,6.799875417,8.518174741,6.193237956,16.33118963,5.873273833,3.289802826,7.664513752,18.22075074,23.09156046,38.44177347,120.8135042,35.57817087,10.59229241,52.55898785,47.343489,63.87441272,1.318052023,47.49322159,48.53386479,80.79764633,52.99419853,4.907311704,37.17568783,28.78094673,38.39543484,39.10339324,33.76701701,20.1590166,24.953302,27.71985367,21.97043725,39.39951914,22.04946783,61.78455037,22.74010777,11.70869691,32.32534387,11.2708942,28.86207544,37.21214226,56.79491038,10.57247906,26.69463344,27.24642218,21.65729377,33.04210706,0.461616489,34.65616713,22.78026097,64.93133259,27.79395957,4.793232402,19.81773593,10.7058909,30.91469359,20.571487,42.63215468,11.68976922,22.58661523,13.48543401,11.69478148,32.07666776,12.38562133,41.56429417,12.05299516,13.24474734,15.45588765,126.0620691,0.790944964,0.491820787,0.989926833,0.006211049,0.562358846,0.695835213,0.595234527,127.3448349,162.097108,338.480488,0.98489025,1.853428587,123.2140291,0.29463182,0.089616707,0.99689115,0.002383786,0.537245303,0.096661594,0.019762975,123.5982776,47.37121304,174.2228256,0.995336725,0.653669872,123.7006308,0.500393295,0.253843683,0.993939675,0.004020681,0.541494186,0.278839761,0.158564906,124.4548678,93.42661164,233.594141,0.990909512,0.978898853,126.0923932,0.760137352,0.467587534,0.990357181,0.005970285,0.5626295,0.6427057,0.538022208,127.3201181,155.1621999,327.2994319,0.985535771,1.743357408,124.1424415,0.602155921,0.335788779,0.992501265,0.004814151,0.545367282,0.403753043,0.277464044,125.0803862,116.6409422,266.8225827,0.988751897,1.226584369,126.409933,0.82283257,0.518280592,0.989502136,0.006440907,0.565466098,0.752822914,0.661004241,127.7510462,169.9564831,351.6160757,0.984253203,1.979293252,126.7731541,0.770485961,0.475763478,0.990265152,0.006018509,0.568720498,0.660141799,0.557001743,128.0194035,158.3575412,332.8480632,0.985397728,1.78586404 +UMLCP0032,L,CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO,C13E8,72.5,0,-4.6126,21.27607876,133.5511,98.26558,0,0,98,38,60,0,29,0,9,0,0,0,0,0,0,0,6548.335358,6882.515417,7580.40304,7568.795111,7072.288338,7046.804921,6934.959536,6470.436523,6424.809234,16094.53181,20468.21357,26353.68473,27394.24921,27247.06143,26453.28206,24879.44709,24635.81603,23848.59363,741.948248,750.797804,1427.783752,1754.447012,1609.513416,1830.670244,1598.876528,1464.18154,1649.050368,113.3437103,144.7806623,199.033625,221.3824237,225.7251289,215.4845624,200.177066,202.9580899,193.2541771,16441.15702,14362.1383,29600.69088,38706.51377,36162.62417,41467.23381,35219.3326,32809.24889,37245.94101,261,234.75,415.5,497.25,378,461.75,456.5,349.25,421,66.81974855,70.95376719,41.42296743,32.7653468,31.85715468,28.76246907,33.02361684,32.19122648,29.20367834,164.2299164,211.012511,144.0092062,118.5898234,122.7345109,107.9725799,118.4735576,122.5662489,108.4026983,7.57090049,7.740183546,7.802097005,7.59500871,7.250060432,7.472123445,7.613697752,7.284485274,7.495683491,1.156568472,1.492584147,1.087615437,0.958365471,1.01677986,0.879528826,0.953224124,1.009741741,0.878428078,167.7669084,148.0632814,161.7524092,167.5606657,162.8947035,169.2540155,167.7111076,163.230094,169.2997319,2.663265306,2.420103093,2.270491803,2.152597403,1.702702703,1.884693878,2.173809524,1.737562189,1.913636364,1.580199225,-0.353151328,-0.95020954,0.777846115,-0.060705106,-0.655570346,0.684738551,-0.059522447,-0.563337114,3430.204908,144.1817908,-1493.415152,-151.2274783,260.4860198,301.1593174,-153.9066097,199.8099741,228.5361634,4548.717591,-520.2426417,-1603.476105,259.8604033,-919.8385418,711.3400759,227.2357927,-794.0793898,601.6946402,8.83149698,-0.050892643,-3.791430074,3.895745528,1.242380965,-1.990348653,3.17267284,0.824025664,-1.970870117,19.97646554,-5.031668738,-5.707382744,5.766769051,-7.986199513,2.233893238,5.01510603,-6.910603282,1.853026987,111.872763,-32.17437854,-30.12299159,41.42262058,-49.67482053,9.451236348,35.91024423,-43.11988988,7.592899548,66.67346939,-0.988025823,-25.68617243,20.28498542,9.923365264,-11.39285714,16.75072886,7.123802582,-11.59350271,0.016124482,-0.003640735,-0.005192402,0.003367299,-2.73E-04,-0.002675797,0.00326066,-2.96E-04,-0.002560623,35.0020909,1.486410214,-8.160738537,-0.654664408,1.17336045,1.229221704,-0.732888618,0.994079473,1.038800743,46.41548562,-5.363326203,-8.762164506,1.124936811,-4.143416855,2.903428881,1.082075203,-3.95064373,2.734975637,0.090117316,-5.25E-04,-0.020718197,0.016864699,0.005596311,-0.008123872,0.015107966,0.00409963,-0.008958501,0.203841485,-0.051872874,-0.031187884,0.024964368,-0.035973872,0.009117932,0.023881457,-0.034381111,0.00842285,1.141558806,-0.331694624,-0.164606511,0.179318704,-0.223760453,0.038576475,0.171001163,-0.214526815,0.03451318,0.680341524,-0.010185833,-0.140361598,0.08781379,0.044699844,-0.046501458,0.079765376,0.035441804,-0.05269774,-0.225789291,-0.322019764,0.208831466,-0.016958463,-0.165946252,0.202217956,-0.018365339,-0.158803443,0.042466326,-0.23315003,-0.01870358,0.033522582,0.035118522,-0.020938424,0.028400574,0.029678248,-0.115550363,-0.18877675,0.024236239,-0.089267985,0.062553022,0.023312806,-0.085114777,0.058923775,-0.005822038,-0.22990251,0.187141606,0.062100281,-0.090147736,0.167647757,0.045492147,-0.099409314,-0.254476529,-0.15300067,0.122469517,-0.176479639,0.0447305,0.117157002,-0.168665916,0.041320588,-0.290562889,-0.144194509,0.157082318,-0.196013076,0.033792806,0.149796193,-0.187924454,0.030233379,-0.014971647,-0.206310497,0.1290731,0.065702066,-0.068350168,0.117243138,0.052094136,-0.077457773,1.239939554,1.697288134,0.91619322,0.571723721,1.178782658,0.962772872,0.638881351,1.214170993,1.113343848,1.378261094,1.046652815,0.868763919,0.946725864,1.056917129,0.887833393,0.96215406,1.533574226,1.275011599,0.943068045,1.17381376,0.865213229,0.939206878,1.16017016,0.866487999,0.936589575,1.62972566,0.97521812,0.471622316,1.144010492,1.030350434,0.552224488,1.192387934,1.807264693,1.273053421,0.839513717,1.288122197,0.863278245,0.838668924,1.268165369,0.86380711,1.863952261,1.285903119,0.810737647,1.294669049,0.873263155,0.812997869,1.276448527,0.875357615,0.948653199,1.417089006,0.886451754,0.416139969,1.003550658,0.93872564,0.479521965,1.056420611,875.716126,438.983063,691.6871883,877.847705,23.10125539,438.983063,2.25,0.121906081,0.003208055,-7.997116559,576.0407659,15.15896752,24.15347804,876.0875941,439.1654922,691.9855451,878.2129112,23.11086608,439.1654922,2.243390212,0.121482364,0.003196904,-8.010347467,577.3865133,15.19438193,24.16234526,1205.992048,601.2005489,959.6339402,1202.590095,31.64710777,601.2005489,-3.590950303,0.130405404,0.003431721,-7.741007308,633.7962497,16.67884868,24.51656461,876.4774594,439.3569563,692.2986896,878.5962045,23.12095275,439.3569563,2.236453202,0.121038155,0.003185215,-8.024267922,578.8263918,15.23227347,24.17180985,1556.309931,773.2846412,1246.436076,1547.081948,40.71268284,709.7827129,-9.740648379,0.260860371,0.006864747,-5.106325973,466.6966962,12.28149201,23.35358238,914.6306537,458.0944307,722.9969513,916.1068504,24.10807501,458.0944307,1.558207673,0.079884983,0.002102236,-9.60323608,876.6544915,23.06985504,25.7492292,729.724318,366.686769,574.8799944,733.099923,19.29210324,366.686769,5.198686371,0.358987101,0.009447029,-3.892981526,697.6462594,18.35911209,24.88130629,0,11.99611644,16.00351149,-0.418424829,0.095313022,3.719658818,7.594624495,37,97,97,97,37,0,0,0,0,0,80.92042,3.54389972,3.495134434,3.47217457,3.440707445,3.392636642,3.331659683,3.267870988,3.195753366,1.94513863,1.865556988,1.747866036,1.734021016,1.709743884,1.673159925,1.627558811,1.58245158,3.565244379,3.463495191,3.378593098,3.349706732,3.313217409,3.272660138,3.211419929,3.135411246,1.888046302,1.812018208,1.768622831,1.742639595,1.707673372,1.672773137,1.625525153,1.564272788,3.691068301,3.618183458,3.603635174,3.57216109,3.526051059,3.473772232,3.420936825,3.352905571,1.711454119,1.617162298,1.507350696,1.487238214,1.462788087,1.421662091,1.364175751,1.299437653,3.585072831,3.481402212,3.357917888,3.336808043,3.310524405,3.265807129,3.203428929,3.132541578,1.852601832,1.789627978,1.77662097,1.748284359,1.706740796,1.66018484,1.613092347,1.55195712,3.748391693,3.665831854,3.631755827,3.602003035,3.560428341,3.517879222,3.467771791,3.39996308,1.656806161,1.56085726,1.475137216,1.448524497,1.416110201,1.377537526,1.318878168,1.247970962,4.581073069,3.868814939,3.834333544,3.778287896,3.703500847,3.628687441,3.597998131,3.520435504,1.783445303,1.681817452,1.526597616,1.467740046,1.442849898,1.404936511,1.359478858,1.32015835,0,0,0,0,0,18,11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,27.45584412,18.91421356,13.02081528,8.957106781,6.156854249,4.228553391,2.901650429,1.989276695,0.722522214,0.511194961,0.361689313,0.255917337,0.181083949,0.128137982,0.090676576,0.064170216,24.51218979,15.1421367,9.158120189,5.731912461,3.574341922,2.188926593,1.371060905,0.854155247,0.645057626,0.409246938,0.254392227,0.163768927,0.105127704,0.066331109,0.042845653,0.027553395,51.68802605,97.61107065,92.90588235,94.4,57.27879042,757.4956467,0.527428837,0.996031333,0.948019208,0.963265306,0.584477453,7.729547415,4.4225,150.0988,501.2592902,794.0415922,1002.51858,26.3820679,501.2592902,1.39E-16,3.65E-18,-138.7518967,517.1755763,13.60988359,23.74385321,2054,1,0,9,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,29,0,0,0,0,0,0,0,0,0,0,0,1,0,28,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.690206271,0,51.95857005,0,0,3.508982692,0,0,3.674382313,0,0,3.730385077,0,0.690206271,0,0,0,0,0,0,0,0,0,0,0,0,0,14.14656946,0,0,0,0,0,0,0,0,0,0,0,2.271536712,0,23.76989323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.56664495,0,43.3919251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.690206271,0,5.083962345,0,0,3.508982692,0,0,3.674382313,0,0,3.730385077,0,0.690206271,0,0,0,0,0,0,0,0,0,0,0,0,0,0.218106368,0,0,0,0,0,0,0,0,0,0,0,2.271536712,0,0.035207647,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.56664495,0,5.083962345,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.690206271,0,8.56664495,0,0,3.508982692,0,0,3.674382313,0,0,3.730385077,0,0.690206271,0,0,0,0,0,0,0,0,0,0,0,0,0,0.677170516,0,0,0,0,0,0,0,0,0,0,0,2.271536712,0,1.418955863,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.56664495,0,5.638551921,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,78,2.052631579,0.690206271,8.56664495,-0.072551471,0.035207647,12.4383924,1.464792353,2.56664495,36.46021353,1.464792353,2.56664495,36.46021353,17.49997,0.46053,0,0.03947,0.52551,0.88158,0.43103,0.52551,0.86667,0.09448,0,-0.09448,0.01491,0.52239,0.1919,0,0.04762,0,0,22.75,0.59868,22.75,0.59868,0,0,-22.75,-0.59868,0,0,48.11425,1.26616,63.07281,14.95856,0.39365,14.54621,0.38279,18.91421,4.368,0.11495,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,37.09,9,9,9,9,1,1,1,1.269564848,1.730867436,2.666048582,3.25117726,3.640234676,3.967764861,124.4173551,169.6250087,261.2727611,318.6153715,356.7429982,388.8409563,0.191930542,0.261669442,0.403048455,0.491507162,0.550324166,0.599839593,5.345144996,4.883842408,3.948661262,3.363532584,2.974475169,2.646944984,0.192360851,0.262256105,0.403952089,0.49260912,0.551557992,0.601184433,11.73504563,16.63230147,19.86385718,22.48455261,24.68600574,26.24259496,139.2328943,113.9923969,105.0239435,90.43753285,78.80933657,69.70660783,38,37,37.02857143,38,0,13,3.66,4.723,0,2.230831222,0,0,0,0,0,0,0,0,0,0.708400186,3.74686121,0,0,0,0,0,0,0.259,2.073,2.183,1.862,0.346,17.903,36,35,34,33,32,31,30,29,28,363,3.63758616,3.610917913,3.583518938,3.555348061,3.526360525,3.496507561,3.465735903,3.433987204,3.401197382,3.36729583,5.897153868,1,0.486486486,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,35,0.945945946,37,1,1,19,37,0.947368421,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.013513514,0.00617284,0.003571429,0.002352941,0.001683502,0.00127551,0.001008065,8.23E-04,6.90E-04,5.90E-04,0.040125789,501.2592902,794.0415922,1002.51858,26.3820679,501.2592902,1.39E-16,3.65E-18,-138.7518967,517.1755763,13.60988359,23.74385321,94.07,589.2520532,6.247927513,4.990432587,5.666426688,6.34738921,7.029087564,7.712890961,8.396831835,9.081938657,9.767037619,10.45290869,144.4449438,4.317488114,0,5.38907173,0,6.575075841,0,7.813995675,0,9.083075021,9.419384999,552.4237335,5.636976872,74.82842712,1.969169135,26.33044807,26.33044807,0,9139,35,4.452,146,1.24642268,2.128889901,2.849617902,3.639223931,4.829008525,5.928536903,7.13541618,8.121874576,9.476177073,10.56664377,100.8716434,96.12167126,112.6895133,145.5111621,165.0453537,227.6378584,260.4662651,269.6481544,347.5368743,378.1480538,285.847897,323.8121263,372.8224864,518.9712583,577.6324396,774.6064035,941.6550734,956.1156363,1188.520109,1369.803289,9.743784427,16.66851194,21.78994086,26.7781117,36.3725697,45.65003328,52.34820663,61.36838916,72.77787395,77.87915696,1.963902982,2.409345006,2.907297272,4.108986274,4.542589738,6.052842666,7.556436199,7.545081242,9.337636698,10.99204891,182.953432,341.4856843,474.2927112,579.398685,808.5481053,982.8976649,1154.539118,1361.781368,1581.223613,1716.249996,3.153456186,4.93389725,6.465674441,6.738088317,9.521698948,13.68642374,12.91859821,16.19620728,21.54182286,19.44249965,0.459041975,0.587725499,0.688861248,0.945261298,1.104565212,1.446338517,1.75077637,1.845073064,2.247550732,2.567458312,1344.684941,5420.517711,67.84046449,307.382171,-1239.078725,-64.23675283,1037.30277,6659.596436,132.0772173,0.813940869,3.281051764,0.041063988,0.186059131,-0.750017185,-0.038882653,2221.509766,8955.059039,112.0770002,507.8159753,-2047.04121,-106.1234267,0.052053783,0.097585913,1.76415361,3.721263118,1474.955923,177.1111883,0.892794193,0.107205807,2902.189664,53.87197476,14.26401971,3491.755725,59.09107991,15.17101431,5311.435722,72.87959743,17.44766484,7.106205751,7.106205751,92962.44991,92849.88191,209.1573697,1.001212366,444.4617469,443.9235493,11.76912247,22.50261521,44.52631259,0.978717237,17.1694716,25.477323,34.12144198,102.6350907,25.48058911,11.47683094,52.11165853,42.63250412,52.81911447,0.945557124,50.00153537,38.10534964,86.98320094,41.83591533,4.494557537,36.62276097,21.54066413,34.17373598,30.99871368,40.49457666,15.92592673,23.29785407,22.70679246,17.38357399,39.55150801,17.03788212,76.11552427,17.37079367,12.57778504,30.24265133,1.460821741,27.63645496,3.487349556,17.33397426,0.182960585,14.86167987,4.177642207,6.406247521,10.72796897,0.025834863,12.73514261,2.405759058,28.13879919,8.073061581,2.729570019,4.629898512,0.744282057,5.887291121,5.454346903,24.36751764,3.324023734,9.028688905,3.178502971,2.912036923,6.432672856,3.373210342,17.05983364,3.055579663,6.844773504,3.492005432,4.596256075,23.62048713,6.728246269,25.55311492,1.879077177,8.757491039,12.32589817,6.481824188,16.25943265,0.117622769,14.96617915,8.167214194,29.07390618,12.946748,1.905990342,9.085548655,3.009416036,8.397193845,9.328842002,20.72660258,4.578966715,6.88149235,5.095200875,5.10172688,9.174919352,4.873037751,20.69456619,4.498039709,5.109843157,6.096052485,16.42953928,27.6286702,40.68644633,96.4245873,22.70523939,15.29975331,49.28851912,40.16561591,49.86624841,0.855310153,50.75574468,35.42786377,86.78571464,39.45452218,4.968706384,34.85800461,19.56881571,37.86796458,29.16880882,43.70862384,15.53196509,26.54900418,21.34985111,16.33652057,43.4930055,16.48174462,73.85968952,16.63182085,14.67862911,28.20470146,6.707134083,22.09441571,7.437241523,33.71889065,4.073005493,7.399713984,18.2302534,8.791737926,20.80087722,0.209120976,17.76918091,12.56315382,34.66181609,16.80003928,1.734921271,12.5949602,5.151827929,9.604300439,12.33986119,21.80061,5.696532582,6.302303571,6.978956862,6.80796244,10.57702561,6.193237989,26.55776351,5.873273837,4.541500535,8.673270483,20.91525368,26.84027774,48.66816829,136.4082022,37.14973145,13.91440246,65.95453929,60.51212959,67.704069,1.318242168,64.18969644,48.82064334,111.0280976,52.99588875,5.665103857,47.30749371,29.64330531,46.9299313,39.10339324,48.51854939,20.85211653,32.16304153,30.32077138,21.98028606,54.81568156,22.04946793,99.20575831,22.74010781,16.46806601,40.86088717,12.76577297,34.31279216,47.48037602,65.61482787,11.07914216,34.75712861,33.69928338,28.02359644,34.95499154,0.463477864,46.35215127,22.9486071,88.72195787,27.89562406,6.204815071,24.43266129,11.01735051,39.9566475,20.64636041,61.18758318,11.9387707,32.31775852,14.32844365,11.74584231,45.37200162,12.43070098,65.39597836,12.09686409,20.13205227,18.13716635,177.4182252,0.785898004,0.488976675,0.992865563,0.004398032,0.566638114,0.695869853,0.591833659,178.6930999,226.5702887,473.4426919,0.989298344,1.854341626,170.8051899,0.291153117,0.08738051,0.997788729,0.001700822,0.52518898,0.095602281,0.018899596,171.1837235,64.68094905,240.2101458,0.996683093,0.639690857,173.9730548,0.496190425,0.251162943,0.995722575,0.002839911,0.544848794,0.277688095,0.156147308,174.7204082,130.1439731,326.5457119,0.993583863,0.978684197,176.8560869,0.753429394,0.463393147,0.993166717,0.004231016,0.563053154,0.639593105,0.531523644,178.0729094,215.551607,455.3709926,0.989750076,1.734169903,175.4371888,0.598979719,0.334037282,0.994709894,0.00339615,0.554057094,0.404618685,0.276193375,176.3702058,163.8859613,375.357913,0.992064842,1.234869154,177.7364778,0.817304693,0.515118078,0.992559161,0.004564191,0.568672507,0.752387035,0.656805767,179.0689005,237.2411385,491.1385931,0.988838742,1.977865309,177.9593461,0.764827861,0.472384709,0.993095779,0.004268095,0.570099641,0.658934218,0.552350863,179.1965587,220.534833,464.0268555,0.989643669,1.781384723 +UMLCP0033,L,CCCCCCCCCCCCCCOCCOCCOCCOCCOCCO,C14E5,20,0,-4.5079,20.32116241,103.3322,80.39165,0,0,80,30,50,0,24,0,6,0,0,0,0,0,0,0,5048.95011,5319.932361,5843.429936,5781.061383,5380.50589,5294.590857,5147.225808,4778.654075,4672.59517,13016.93753,16657.43659,21632.79869,22476.76592,22040.24833,21266.13986,19961.96379,19429.00293,18661.45143,597.00588,604.337148,1148.312024,1452.3465,1338.128728,1450.421556,1296.776016,1192.796852,1268.80168,93.02346924,120.0313792,167.8711502,186.6258382,186.2834995,177.652894,165.4204805,163.5164605,155.4225087,13401.65486,11657.26414,24055.26224,32589.65522,30447.18331,33148.04038,29102.47404,27093.80804,28926.74758,203,183.75,320.5,387.25,304,351.75,346.5,275.25,311,63.11187638,67.34091596,38.95619957,29.64646863,28.92745102,26.87609572,29.58175752,28.96153985,27.16625099,162.7117191,210.8536277,144.218658,115.2654663,118.4959588,107.9499485,114.7239298,117.7515329,108.4968106,7.4625735,7.649837316,7.655413493,7.447930769,7.194240473,7.36254597,7.452735724,7.22907183,7.376753953,1.162793366,1.519384547,1.119141001,0.95705558,1.001524191,0.90179134,0.950692416,0.991008851,0.903619237,167.5206858,147.5603055,160.3684149,167.126437,163.6945339,168.2641644,167.2555979,164.2048972,168.178765,2.5375,2.325949367,2.136666667,1.985897436,1.634408602,1.785532995,1.99137931,1.668181818,1.808139535,1.089144091,-0.258573258,-0.613619858,0.497627859,-0.057189151,-0.378868045,0.404520297,-0.056006446,-0.286633839,2687.355398,70.24591225,-1173.451112,-41.63416383,182.7560465,171.8492654,-43.85583844,125.8473267,107.2012696,3751.846041,-354.0692503,-1454.128617,170.336222,-522.9607862,376.5577984,137.4628376,-399.6234775,270.5383164,6.0691902,0.012736777,-2.138932825,2.788676587,0.761985985,-0.952606567,2.073539715,0.414225913,-0.90663233,16.52108097,-3.212704375,-5.409040707,3.579574942,-4.72238884,1.174851811,2.828674117,-3.639717351,0.790235612,92.01130507,-20.34522708,-28.37929082,25.81679452,-29.52932305,4.995998622,20.31572874,-22.86996429,3.09407261,51.75,-1.015625,-16.03125,16.171875,6.65625,-5.921875,12.71875,4.203125,-5.9375,0.013614301,-0.003273079,-0.004090799,0.002551938,-3.07E-04,-0.001923188,0.002324829,-3.39E-04,-0.001666476,33.59194247,0.889188763,-7.823007416,-0.213508532,0.98255939,0.872331297,-0.252045049,0.762711071,0.623263195,46.89807552,-4.481889245,-9.694190783,0.873519087,-2.81161713,1.911460906,0.790016308,-2.42196047,1.572897188,0.075864877,1.61E-04,-0.014259552,0.014300906,0.004096699,-0.004835566,0.011916895,0.00251046,-0.005271118,0.206513512,-0.040667144,-0.036060271,0.018356795,-0.025389187,0.005963715,0.016256748,-0.022058893,0.004594393,1.150141313,-0.25753452,-0.189195272,0.132393818,-0.158759801,0.025360399,0.116757062,-0.138605844,0.017988794,0.646875,-0.012856013,-0.106875,0.082932692,0.03578629,-0.030060279,0.073096264,0.025473485,-0.034520349,-0.24041478,-0.300478079,0.187445372,-0.022584233,-0.141262341,0.170763763,-0.024932092,-0.122406269,0.026470299,-0.232883449,-0.006355945,0.029249853,0.025968468,-0.00750314,0.022705179,0.018553949,-0.095566592,-0.206707646,0.018625905,-0.059951653,0.040757769,0.016845389,-0.051643067,0.03353863,0.00212516,-0.187959865,0.188504958,0.05399994,-0.063739196,0.157080527,0.033091203,-0.069480349,-0.196922437,-0.174614586,0.088889073,-0.122942015,0.028878085,0.07872002,-0.106815737,0.022247421,-0.223915546,-0.164497414,0.115110914,-0.138035039,0.022049811,0.101515405,-0.120512012,0.015640508,-0.019874029,-0.165217391,0.128205128,0.055321801,-0.046469997,0.112999056,0.0393793,-0.05336479,1.254752159,1.615087058,0.865227629,0.577319844,1.098990696,0.905420293,0.661485181,1.109758454,1.178093175,1.379489381,1.012655405,0.879050602,0.943387766,1.016432872,0.90013458,0.957973096,1.531729422,1.324736391,0.951809995,1.116813683,0.901671496,0.949696189,1.095028189,0.910163435,0.935794696,1.54622266,0.911064395,0.47741508,1.069299993,0.960390486,0.583404903,1.100993012,1.743854866,1.325590034,0.877948862,1.197179568,0.902029363,0.883126479,1.164160797,0.910238743,1.787975628,1.332843383,0.854740429,1.200822755,0.907433416,0.863707753,1.168508445,0.916292201,0.966183575,1.300128824,0.800470705,0.402160927,0.918266755,0.851018935,0.478787879,0.969638243,561.8363724,281.6681862,445.542038,563.2363724,18.77454575,281.6681862,1.5,0.140407678,0.004680256,-5.8896153,380.7591478,12.69197159,17.82650105,562.0198137,281.7577036,445.6844134,563.415701,18.78052337,281.7577036,1.495593475,0.139946212,0.004664874,-5.899491387,380.9926145,12.69975382,17.82833997,725.4543432,361.5301882,575.9732487,723.2199741,24.10733247,361.5301882,-2.393966868,0.166942147,0.005564738,-5.370323859,364.3132044,12.14377348,17.69404185,562.2123418,281.8516553,445.833854,563.6039127,18.78679709,281.8516553,1.490968801,0.139462231,0.004648741,-5.90988438,381.2491028,12.70830343,17.83035892,899.8360366,446.6711355,719.079854,893.7751887,29.79250629,446.6711355,-6.493765586,0.34919974,0.011639991,-3.156333601,308.9903461,10.2996782,17.1999301,581.0615713,291.0501882,460.5251189,582.0311227,19.40103742,291.0501882,1.038805115,0.093746585,0.003124886,-7.101480129,560.9621788,18.69873929,18.98896046,494.3699378,248.4238282,394.5044399,496.6147199,16.553824,248.4238282,3.494047619,0.370939859,0.012364662,-2.975146007,389.1984467,12.97328156,17.89226808,0,11.99613296,16.00080922,-0.418393457,0.093373271,3.7196685,7.608823071,29,79,79,79,29,0,0,0,0,0,64.24035,3.54695385,3.489893423,3.458959357,3.398536945,3.324469662,3.242641636,3.135179314,3.033779798,1.948323904,1.877687437,1.769110935,1.725226946,1.677840684,1.625637635,1.579439035,1.50281034,3.569416627,3.478938039,3.370312541,3.337214093,3.279976463,3.187668754,3.106641113,3.013807423,1.891086374,1.822827775,1.75950747,1.722540273,1.679995724,1.60696302,1.538682915,1.466035801,3.694297973,3.624679631,3.591623866,3.534601392,3.475994366,3.399198738,3.304574455,3.219832143,1.715292702,1.631618642,1.510639785,1.485807232,1.426522719,1.348258056,1.287140316,1.198449696,3.589329009,3.497495801,3.363113596,3.335319819,3.270783065,3.185333478,3.118204648,3.021636874,1.855371058,1.794746264,1.765969223,1.714849989,1.662806616,1.594207413,1.511429563,1.43691542,3.751758455,3.67726436,3.620616459,3.573387774,3.525432509,3.446184113,3.363552824,3.284013078,1.660718606,1.575380025,1.468387209,1.439767903,1.383986204,1.297738119,1.224869262,1.136399811,4.57318433,3.851079188,3.77607338,3.66366184,3.6160145,3.536050954,3.470208758,3.355230891,1.789943201,1.700457688,1.561509317,1.460112247,1.413616152,1.374075939,1.315283138,1.23470692,0,0,0,0,0,12,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.79898987,14.91421356,10.19238816,6.957106781,4.742640687,3.228553391,2.194543648,1.489276695,0.726632996,0.514283226,0.364013863,0.257670622,0.182409257,0.129142136,0.091439319,0.064751161,19.75191102,12.41008589,7.674556273,4.865887057,3.091379009,1.938926593,1.231641522,0.781986464,0.658397034,0.427933996,0.274091295,0.180218039,0.118899193,0.077557064,0.051318397,0.033999411,41.83448972,79.17989803,75.23137255,76.4,46.8452994,617.8908084,0.522931122,0.989748725,0.940392157,0.955,0.585566243,7.723635105,4.7628,122.2588,312.2692051,494.8140937,624.5384101,20.817947,312.2692051,9.44E-16,3.15E-17,-103.7902032,344.5468977,11.48489659,17.52669064,1262,1,0,6,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,24,0,0,0,0,0,0,0,0,0,0,0,1,0,23,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.690581455,0,35.47710166,0,0,3.511457933,0,0,3.679638839,0,0,3.742005846,0,0.690581455,0,0,0,0,0,0,0,0,0,0,0,0,0,10.155282,0,0,0,0,0,0,0,0,0,0,0,2.275262477,0,22.24763586,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.548656828,0,26.92844483,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.690581455,0,5.084784576,0,0,3.511457933,0,0,3.679638839,0,0,3.742005846,0,0.690581455,0,0,0,0,0,0,0,0,0,0,0,0,0,0.214017402,0,0,0,0,0,0,0,0,0,0,0,2.275262477,0,0.049158556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.548656828,0,5.084784576,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.690581455,0,8.548656828,0,0,3.511457933,0,0,3.679638839,0,0,3.742005846,0,0.690581455,0,0,0,0,0,0,0,0,0,0,0,0,0,0.656859568,0,0,0,0,0,0,0,0,0,0,0,2.275262477,0,1.430909054,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.548656828,0,5.612122641,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,60,2,0.690581455,8.548656828,-0.062055244,0.049158556,11.70627388,1.450841444,2.548656828,24.50472827,1.450841444,2.548656828,24.50472827,13.99998,0.46667,0,0.03333,0.5075,0.85333,0.43043,0.5075,0.83548,0.07707,0,-0.07707,0.01785,0.54687,0.16742,0,0.05952,0,0,17.25,0.575,17.25,0.575,0,0,-17.25,-0.575,0,0,37.37537,1.24585,46.56874,9.19337,0.30645,12.05736,0.40191,14.91421,2.85685,0.09523,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,29.06,6,6,6,6,1,1,1,1.225157039,1.724381587,2.743681475,3.418776852,3.868419658,4.242696453,98.01256308,137.9505269,219.494518,273.5021482,309.4735727,339.4157162,0.193794839,0.272761974,0.433994413,0.540780724,0.611905039,0.671107989,5.096771056,4.597546508,3.57824662,2.903151243,2.453508437,2.079231642,0.194352736,0.273547202,0.435243798,0.542337525,0.613666594,0.673039978,11.16312071,16.3768621,20.05939297,23.03028021,25.47691984,27.17038903,109.6797368,87.94713321,79.03752333,64.90335723,53.94226195,45.56016494,30,29,29.03703704,30,0,14,3.44,3.8424,0,2.293141018,0,0,0,0,0,0,0,0,0,0.639753249,1.892080006,0,0,0,0,0,0,0.259,1.44,1.505,1.307,0.304,14.328,28,27,26,25,24,23,22,21,20,275,3.401197382,3.36729583,3.33220451,3.295836866,3.258096538,3.218875825,3.17805383,3.135494216,3.091042453,3.044522438,5.620400866,1,0.482758621,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,27,0.931034483,29,1,2,15,29,0.933333333,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.017241379,0.007936508,0.00462963,0.003076923,0.002222222,0.00170068,0.001358696,0.001122334,9.52E-04,8.26E-04,0.051749255,312.2692051,494.8140937,624.5384101,20.817947,312.2692051,9.44E-16,3.15E-17,-103.7902032,344.5468977,11.48489659,17.52669064,66.38,476.4014499,5.906890596,4.744932128,5.416100402,6.09356977,6.771935556,7.452982329,8.134174272,8.816853241,9.499496358,10.18312485,126.1131689,4.077537444,0,5.141663557,0,6.32256524,0,7.557472902,0,8.823058934,9.160834952,434.3607393,5.429509242,58.82842713,1.960947571,17.33049148,17.33049148,0,4495,27,5.591,114,1.236631036,2.125493638,2.863218352,3.672382669,4.901436218,5.975585552,7.252674599,8.278879806,9.609373331,10.75316187,96.43659809,91.84348246,103.5848613,134.6308855,157.0920602,207.9655118,239.0183482,256.0658736,313.9834157,343.6714068,285.5927193,326.9431241,366.5138743,508.0210223,586.6228058,761.4755766,921.0806491,975.1514566,1165.904612,1333.336865,9.555043029,16.3510495,21.45969265,26.78500108,36.37421097,45.00161928,52.761519,61.52346773,72.05708302,78.63431067,1.994434417,2.490119696,2.931995407,4.100572562,4.729839961,6.118252892,7.552885331,7.912155102,9.450557119,10.94461697,180.6826735,337.6919524,474.6860043,587.3877962,815.8198352,986.488242,1180.351853,1378.665941,1597.700221,1759.30763,3.015632012,4.665639401,5.992165549,6.513872238,9.167155036,12.64609886,12.57690468,15.58808855,19.85052929,18.99050979,0.455521112,0.588837224,0.679073581,0.92914482,1.117090988,1.426866099,1.724061542,1.873646146,2.218007414,2.520265369,977.6734513,2890.344686,44.15471096,170.2979083,-503.4601825,-40.39550064,807.375543,3393.804868,84.5502116,0.851653173,2.517784665,0.038463251,0.148346827,-0.438565107,-0.035188596,1122.341121,3318.032918,50.68834357,195.4971213,-577.9578703,-46.37287779,0.070976848,0.133061232,1.625108619,4.869421183,1031.920673,116.0506862,0.89890803,0.10109197,2166.347216,46.54403523,12.93925748,2672.380766,51.69507487,13.87712326,3867.907394,62.19250272,15.69731437,6.376060605,6.376060605,48180.72069,48092.59492,165.0779208,1.001832419,291.8665347,291.3326912,10.24789575,18.24490371,36.08333902,0.977721537,20.20642283,23.4952051,20.53686075,90.95911694,50.14838839,2.06670099,49.71048549,19.02417789,66.92684474,0.298104841,16.00937474,49.53884189,8.446594396,55.02656028,0.001385785,43.01921365,27.90813418,38.51818441,44.70721944,0.077082284,34.79662055,15.52343909,40.56885222,31.36855186,4.473716802,23.93475785,8.150442199,23.52827083,16.16794159,21.52751467,1.721210127,25.50285992,2.07757652,18.78016605,0.355393868,1.909975831,4.893200844,0.192835289,12.97288449,0.002100479,16.20795012,3.001891439,3.199592586,9.975130096,1.55E-04,8.321846885,0.939607752,14.01751494,7.399857993,0.095779239,4.625069407,0.284089055,7.592854798,4.78187293,3.742149766,4.319129619,0.118867376,4.514984634,2.375422372,8.084313528,5.403701891,21.7359625,4.528665098,22.53660192,3.686224024,1.103646774,13.71797642,1.441050126,19.63593956,0.021881525,11.18356513,10.25283035,2.776325076,16.11901011,1.73E-04,12.37654581,3.917233679,13.4293888,12.69927075,0.063942443,7.384438323,1.576994711,10.71623539,8.495212147,2.996514548,6.157056545,0.725578716,6.260882623,4.247585875,8.436444148,19.35800236,25.51177594,23.45570458,85.50241851,44.68286661,2.604274365,47.61037202,16.97189913,64.66205139,0.265606667,18.92513213,45.96778914,8.397488228,51.84982223,0.001282541,45.40492079,25.36713193,40.98061434,42.0213119,0.096554281,32.99337395,13.94777777,40.80165532,29.40501876,5.041025484,23.19410734,7.295774494,22.9452671,15.1858872,23.16339205,7.878608956,20.30565403,5.457582148,28.23421766,8.001574946,0.994232176,19.67981893,3.06958537,24.88544712,0.047527378,9.375791982,15.87935173,3.111505105,21.101298,2.57E-04,14.89646993,6.710642204,14.18678322,16.93693643,0.05692646,10.13038987,3.004182165,13.32841399,11.49787928,2.751940978,7.894653011,1.449199527,7.930523761,5.774871408,8.981638973,24.63290343,24.78245694,28.13724714,123.8740601,73.12960497,2.587051386,60.61742941,27.71069906,87.07489894,0.434754955,18.83387641,63.9540057,11.2956614,70.49909002,0.001993306,56.2145597,38.3474434,50.02581288,57.14288169,0.089023353,46.96860909,22.08892141,53.63984032,40.32935273,5.200934068,31.670501,11.73589369,30.95197897,20.89907028,27.31891038,15.14656303,31.98297393,26.18150329,59.06500274,21.68841483,5.29397638,34.30935809,8.316805375,49.03642496,0.128888718,27.77919505,29.245646,8.57909234,35.93021387,8.01E-04,44.5919928,14.29455035,43.25063684,29.0222567,0.192517149,22.55235635,7.242170139,36.29861927,20.25587779,6.551192345,17.32157312,3.679870766,17.63999134,10.83161835,26.73950301,113.5993565,0.790436721,0.476727398,0.988968377,0.00688135,0.554571061,0.715492914,0.608292823,114.8665206,144.3258514,301.9992043,0.983452566,1.878356797,112.9236415,0.291643195,0.08860005,0.996644041,0.002573991,0.548008377,0.097865474,0.021090725,113.3038847,42.96429143,159.186078,0.994966061,0.666964576,111.6614171,0.499437793,0.247135595,0.99335836,0.004443081,0.535819425,0.286615091,0.163940931,112.4079905,83.48687134,209.6771028,0.99003754,0.986375447,114.0198767,0.760861389,0.454681424,0.989451656,0.006602669,0.558684942,0.663098267,0.553510145,115.2354195,138.9419912,293.6225346,0.984177484,1.775293354,111.4917824,0.600574761,0.325182283,0.991765012,0.005342358,0.534189715,0.414093445,0.283593071,112.4175394,103.4095991,237.6010679,0.987647519,1.231876232,114.0081533,0.822678928,0.502572395,0.988509389,0.00713305,0.55856882,0.774666318,0.675789553,115.3334046,151.5029117,313.9736393,0.982764083,2.009024691,114.4926234,0.770459649,0.461878787,0.989351144,0.006657679,0.563326595,0.679608476,0.571141049,115.7249618,141.4495193,297.9177078,0.984026716,1.81407612 +UMLCP0034,L,CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO,C14E6,42.3,0,-4.6388,21.51846544,114.3757,87.380822,0,0,87,33,54,0,26,0,7,0,0,0,0,0,0,0,5597.510609,5896.952812,6486.990483,6442.558202,6010.018949,5944.247788,5808.722627,5408.167134,5322.252101,14204.69708,18145.35896,23510.94308,24451.52647,24111.45215,23330.78671,21936.72434,21500.20675,20726.09828,652.312484,660.41596,1255.712436,1574.008304,1449.551924,1598.132752,1418.43782,1304.220048,1416.512876,101.0229249,129.9531364,180.8212052,201.218543,202.4378856,193.2706264,180.0131853,179.6708466,171.0402411,14580.36547,12703.23534,26211.80585,35121.59312,32845.31532,36414.08991,31634.41194,29491.94004,32192.79711,223.75,202.5,355.25,428,332.75,392.5,387.25,304,351.75,64.3392024,68.56921874,39.79748763,30.67884858,29.90059179,27.51966569,30.73398215,30.04537297,27.86519425,163.2723803,210.992546,144.2389146,116.4358403,119.9574734,108.0129014,116.0673245,119.4455931,108.5136036,7.497844644,7.679255349,7.703757276,7.495277638,7.211701114,7.398762741,7.504962011,7.245666933,7.41629778,1.161183044,1.511082982,1.109332547,0.958183538,1.007153659,0.894771419,0.952450716,0.99817137,0.895498645,167.5904077,147.7120388,160.8086249,167.2456815,163.4095289,168.5837496,167.377841,163.8441113,168.548676,2.57183908,2.354651163,2.179447853,2.038095238,1.655472637,1.81712963,2.048941799,1.688888889,1.841623037,1.254243415,-0.290099281,-0.726523558,0.591033945,-0.058361136,-0.471102146,0.497926382,-0.057178431,-0.378867939,2963.439097,95.45186289,-1292.022979,-71.55779832,213.1560384,216.4974262,-73.73107813,155.1918304,149.4288557,4067.719673,-409.7129986,-1530.45899,201.1463984,-653.0756726,486.8722833,168.4017743,-528.8435791,379.6235108,7.007755678,0.0028531,-2.646174799,3.210753237,0.931360238,-1.258993132,2.494403596,0.561970965,-1.220017546,17.89716157,-3.816546477,-5.60931581,4.311670609,-5.815397594,1.536032922,3.560608087,-4.734328378,1.15228698,99.8554714,-24.26290994,-29.45403516,31.05824484,-36.29422842,6.569308222,25.5543932,-29.66401111,4.680214085,56.85057471,-0.944246268,-19.04188136,17.8319461,7.810741181,-7.542806183,14.35909631,5.257431629,-7.60873299,0.014416591,-0.003373247,-0.0044572,0.002814447,-2.90E-04,-0.002181028,0.002634531,-3.18E-04,-0.001983602,34.06251836,1.109905382,-7.926521344,-0.340751421,1.060477803,1.002302899,-0.390111524,0.862176836,0.78235003,46.75539854,-4.764104635,-9.389318957,0.957839992,-3.2491327,2.254038348,0.891014679,-2.938019884,1.987557648,0.080548916,3.32E-05,-0.016234201,0.015289301,0.004633633,-0.005828672,0.013197903,0.003122061,-0.006387526,0.205714501,-0.044378447,-0.03441298,0.020531765,-0.028932326,0.007111264,0.018839196,-0.026301824,0.006032916,1.147764039,-0.28212686,-0.180699602,0.147896404,-0.180568301,0.030413464,0.13520843,-0.164800062,0.024503739,0.653454882,-0.010979608,-0.116821358,0.084914029,0.038859409,-0.034920399,0.075974055,0.029207953,-0.039836298,-0.233983711,-0.309171548,0.195222807,-0.020140261,-0.151286005,0.182743003,-0.022034193,-0.137591597,0.032584361,-0.232705088,-0.010003706,0.031133277,0.02942539,-0.011452809,0.0253116,0.022968062,-0.101894215,-0.200817857,0.02048619,-0.06949214,0.048209157,0.019056937,-0.062838089,0.042509693,4.12E-04,-0.201544627,0.189813866,0.057525703,-0.072361891,0.163849538,0.038759813,-0.079299968,-0.215728338,-0.167285147,0.099807086,-0.140643106,0.034568606,0.09157933,-0.127855957,0.029326645,-0.245805627,-0.157436194,0.128856105,-0.157321796,0.026498011,0.117801591,-0.143583573,0.021349108,-0.016802396,-0.178774941,0.129946277,0.059467623,-0.053439648,0.116265188,0.044697736,-0.060962584,1.248807986,1.647950925,0.882955534,0.573241164,1.130847188,0.925162011,0.649381061,1.152050005,1.155411366,1.379167877,1.023849284,0.875243158,0.944436779,1.029967585,0.895192153,0.959122118,1.53194344,1.308564199,0.949555952,1.136021893,0.889485758,0.946920769,1.117680763,0.895088393,0.934880196,1.576998098,0.932195644,0.472650159,1.097159789,0.983147241,0.566880462,1.135719052,1.764337875,1.308480837,0.866132925,1.227526077,0.889073789,0.869131496,1.199965493,0.89422775,1.812687666,1.31748252,0.840986052,1.232162405,0.895935634,0.847445312,1.205672513,0.902065671,0.958653457,1.343366642,0.830204783,0.406407107,0.948962686,0.880429271,0.476932538,0.999911611,673.2090209,337.4795105,532.9587998,674.8529603,20.45008971,337.4795105,1.75,0.140255905,0.004250179,-6.482145886,432.0450693,13.09227483,20.0261487,673.4509265,337.5978928,533.1495346,675.0900365,20.45727383,337.5978928,1.744859054,0.139785143,0.004235913,-6.493240809,431.3917844,13.07247831,20.02115508,888.7462387,442.9766387,706.4737032,886.1225478,26.85219842,442.9766387,-2.792961346,0.159941305,0.004846706,-6.04872964,421.0422213,12.75885519,19.94101929,673.7048141,337.7221388,533.3497307,675.3388556,20.46481381,337.7221388,1.739463602,0.139291485,0.004220954,-6.504915551,430.7185059,13.05207594,20.0160007,1118.081642,555.2527909,895.0243652,1110.964737,33.66559809,555.2527909,-7.57605985,0.328237415,0.009946588,-3.676259755,351.8349767,10.66166596,19.34843542,698.5579741,349.8849567,553.0127332,699.6964625,21.20292311,349.8849567,1.211939301,0.092992549,0.002817956,-7.838278479,402.7569037,12.20475466,19.79449944,581.6003453,292.2338519,461.9213972,584.2215055,17.70368198,292.2338519,4.062271062,0.384706623,0.011657776,-3.152405036,571.3273074,17.31294871,20.94827547,0,11.99612566,16.00167397,-0.418404748,0.093884257,3.71966146,7.608828196,32,86,86,86,32,0,0,0,0,0,70.529178,3.546958823,3.492555239,3.466925551,3.419519105,3.353553671,3.285544152,3.198212975,3.100412048,1.948323904,1.877687439,1.769119225,1.730086826,1.69312415,1.644168905,1.604666999,1.549253284,3.569416628,3.478938281,3.374372886,3.344819092,3.302852967,3.229217385,3.145897848,3.077076184,1.891086381,1.822829934,1.763905345,1.731287634,1.697087507,1.640702603,1.571770625,1.51497306,3.694298247,3.62492773,3.598498403,3.551874519,3.497343453,3.439044197,3.356117877,3.275547983,1.715292702,1.631618666,1.51137552,1.492476357,1.44711491,1.380786995,1.316845978,1.25672212,3.589329009,3.49749582,3.363738656,3.342598541,3.29320951,3.221168233,3.150871613,3.085574523,1.855371387,1.795014937,1.772133166,1.730164718,1.681537649,1.629422098,1.555612769,1.485796519,3.751758476,3.677273178,3.626069734,3.585819947,3.543912932,3.484745817,3.405400673,3.337490676,1.660718607,1.575380187,1.471764455,1.446531331,1.405674895,1.335799861,1.259792372,1.19626256,4.576698467,3.859396701,3.803354063,3.714834542,3.628010805,3.59125477,3.516565444,3.435760358,1.788987184,1.699499459,1.560546456,1.463990237,1.426953794,1.386566927,1.34714433,1.281652123,0,0,0,0,0,14,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.92031022,16.41421356,11.25304833,7.707106781,5.272970773,3.603553391,2.459708691,1.676776695,0.724857885,0.512944174,0.363001559,0.256903559,0.181826578,0.128698335,0.091100322,0.064491411,21.57437287,13.48743616,8.286928708,5.237895525,3.311292212,2.063926593,1.307577432,0.826876058,0.653768875,0.42148238,0.267320281,0.174596518,0.11418249,0.073711664,0.048428794,0.031802925,45.63294443,86.28623452,82.03137255,83.32,50.9226479,672.1018395,0.524516603,0.991795799,0.94288934,0.957701149,0.585317792,7.7253085,4.7794,133.0778,377.9293618,598.773642,755.8587236,22.90480981,377.9293618,3.89E-16,1.18E-17,-117.0973241,2000257.483,60613.86311,47.87899536,1536,1,0,7,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,26,0,0,0,0,0,0,0,0,0,0,0,1,0,25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.69041612,0,40.9725468,0,0,3.510250749,0,0,3.676859184,0,0,3.735345602,0,0.69041612,0,0,0,0,0,0,0,0,0,0,0,0,0,11.55302747,0,0,0,0,0,0,0,0,0,0,0,2.275375732,0,23.25207747,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.556422465,0,32.41612433,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.69041612,0,5.084253756,0,0,3.510250749,0,0,3.676859184,0,0,3.735345602,0,0.69041612,0,0,0,0,0,0,0,0,0,0,0,0,0,0.214935676,0,0,0,0,0,0,0,0,0,0,0,2.275375732,0,0.043091966,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.556422465,0,5.084253756,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.69041612,0,8.556422465,0,0,3.510250749,0,0,3.676859184,0,0,3.735345602,0,0.69041612,0,0,0,0,0,0,0,0,0,0,0,0,0,0.665124031,0,0,0,0,0,0,0,0,0,0,0,2.275375732,0,1.429256506,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.556422465,0,5.628056312,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,66.5,2.015151515,0.69041612,8.556422465,-0.068601871,0.043091966,12.19046366,1.456908034,2.556422465,28.49584506,1.456908034,2.556422465,28.49584506,15.33331,0.46465,0,0.03535,0.51341,0.86263,0.43069,0.51341,0.84608,0.08272,0,-0.08272,0.01655,0.53864,0.17565,0,0.05435,0,0,19.25,0.58333,19.25,0.58333,0,0,-19.25,-0.58333,0,0,41.55423,1.25922,52.64894,11.09471,0.3362,13.05365,0.39557,16.41421,3.36057,0.10184,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,32.07,7,7,7,7,1,1,1,1.240336114,1.72783056,2.721239772,3.360991008,3.789584991,4.151205922,107.9092419,150.3212587,236.7478602,292.4062177,329.6938942,361.1549152,0.192510786,0.268174098,0.422359714,0.521654584,0.58817604,0.644302705,5.202607382,4.715112936,3.721703724,3.081952488,2.653358505,2.291737574,0.193010428,0.268870118,0.423455907,0.523008487,0.589702593,0.645974929,11.3582005,16.49062167,20.0000718,22.83964027,25.21060703,26.89104058,120.6795094,97.31536566,88.4237198,73.9108518,62.44631292,53.4290253,33,32,32,33,0,14,3.55,4.1829,0,2.28038084,0,0,0,0,0,0,0,0,0,0.668048377,2.491141646,0,0,0,0,0,0,0.259,1.651,1.731,1.492,0.318,15.686,31,30,29,28,27,26,25,24,23,308,3.496507561,3.465735903,3.433987204,3.401197382,3.36729583,3.33220451,3.295836866,3.258096538,3.218875825,3.17805383,5.733341277,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,30,0.9375,32,1,2,16,32,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.015625,0.007168459,0.004166667,0.002758621,0.001984127,0.001511716,0.001201923,9.88E-04,8.33E-04,7.19E-04,0.046710514,377.9293618,598.773642,755.8587236,22.90480981,377.9293618,3.89E-16,1.18E-17,-117.0973241,2000257.483,60613.86311,47.87899536,75.61,519.7836459,6.044394119,4.844187086,5.517452896,6.196444128,6.876264612,7.558516743,8.240912542,8.924656302,9.608377964,10.29299264,133.0598049,4.17438727,0,5.241747015,0,6.424869024,0,7.661527081,0,8.928640371,9.265775079,478.3869541,5.498700621,64.82842712,1.964497792,20.33048924,20.33048924,0,5984,30,5.401,126,1.24527907,2.131533622,2.851869451,3.631916805,4.846962813,5.92853888,7.158019611,8.167796219,9.504764118,10.60789471,97.74800434,92.69114093,105.7990351,137.0561638,158.5338938,212.7755716,244.1922482,258.5987136,322.7393328,352.4984129,286.2594371,325.2559679,366.5825808,508.3166424,580.0755482,761.2262871,921.8510622,962.2933104,1166.421541,1337.05325,9.649550181,16.47622102,21.5068912,26.55821941,36.12301944,44.95763439,52.19596025,61.00861152,71.81283281,77.7313432,1.991904964,2.46374921,2.910241955,4.078372765,4.642862592,6.063737047,7.50761844,7.740782714,9.361447486,10.89649868,182.2194575,339.822422,473.6682856,579.7547623,808.127218,980.1509638,1162.308702,1362.980063,1581.997321,1730.54886,3.058133721,4.7408722,6.109675211,6.522120253,9.194636833,12.8766188,12.56358783,15.63576021,20.22116757,18.94082392,0.45785842,0.588033887,0.679016067,0.927906917,1.105889817,1.424706041,1.720736021,1.851059858,2.213765681,2.518584621,1190.905813,3968.476354,55.34715442,303.6613717,-1011.896122,-57.40456098,887.2444412,4980.372476,112.7517154,0.796823204,2.655267957,0.037032229,0.203176796,-0.677049605,-0.038408819,1779.888748,5931.154532,82.72004075,453.8423214,-1512.346738,-85.79497309,0.062968905,0.118048636,1.199373996,4.562086274,1351.807913,142.7592716,0.904481195,0.095518805,2449.388499,49.49129721,13.47987582,2980.832344,54.5969994,14.39171389,4437.551097,66.6149465,16.4329092,6.497216452,6.497216452,61882.89769,61783.40774,186.0916237,1.001610302,332.5399416,332.0053127,10.82908565,19.80086369,38.79472049,0.959243855,15.49606789,22.99776175,27.37880741,95.52631294,26.37785103,8.715592497,42.32855099,33.53532074,54.17490043,0.976181104,37.02713331,42.4579375,63.36084117,47.79979287,3.872749403,28.78554435,23.98994461,28.290427,37.8099687,28.07526809,15.45676321,20.59556514,20.91208529,24.52559544,28.9196924,17.05247161,49.35062825,17.62594528,15.92654497,25.29644399,1.320384085,24.64869727,2.762631417,16.86848006,0.189429889,11.16172003,3.603141928,4.759662754,11.61379281,0.025869004,9.816454154,2.716736019,20.29599065,9.222689325,1.933700586,4.173292159,0.825370213,4.983104006,6.565304417,16.41899383,3.32669679,5.848959246,3.160704253,3.907479788,5.160285848,3.387106242,10.66172571,3.057376735,5.016065058,3.435214704,4.142907578,21.57767441,5.462808111,24.02193762,1.94532669,6.589176173,10.20975781,5.034259138,17.09295331,0.119701227,11.37353737,9.194336216,21.02265256,14.83390773,1.473843456,7.483953517,3.375365419,7.162621824,11.31861728,14.06093863,4.550116082,4.945124673,4.950420077,6.999401915,7.289064183,4.887073829,12.93284494,4.51676641,5.128681098,5.677008509,14.84998254,24.64289156,32.31878937,89.32117448,23.50476579,11.60419712,40.18874076,31.50895994,51.1401418,0.882575551,37.63518122,39.49452094,63.16340424,45.03694564,4.144343943,27.59738061,21.80284103,30.52275752,35.53036608,30.1720754,15.114607,22.07211223,19.74731564,22.97756176,31.2024225,16.49629115,47.79055809,16.85915634,16.4693438,23.78273122,6.038982031,20.41069307,6.163529512,31.41114547,4.216537559,5.571231023,14.95545645,6.947501872,21.64267945,0.213849769,13.37856091,14.11420311,25.10119589,19.26628439,1.441847363,10.10081099,5.772273386,8.415627989,15.01746087,14.86034882,5.626804963,5.100150285,6.67701592,9.429630113,8.518174744,6.207370709,16.67298218,5.913950714,5.695010616,7.816776421,18.89437636,24.04009708,38.80861481,127.6087763,38.45779036,10.59230811,53.50559164,47.54478794,69.41990741,1.362987978,47.49362767,54.27560259,80.95885647,60.47059343,4.907411138,37.1777287,32.96922975,38.39545086,47.69404757,33.76701791,20.16511701,28.70924623,27.71985369,31.118725,39.39951916,22.06421705,64.77484601,23.11222244,20.69687641,33.71825765,11.64482327,29.81594359,37.43466511,59.54511931,11.43926242,26.721688,27.81004811,21.73903408,35.81062838,0.475433764,34.69166672,25.54683176,65.04499487,31.5882502,4.798117078,19.83979825,12.26022685,30.94601229,24.81475513,42.67533768,11.70752019,23.79295362,13.49909362,16.00759705,32.10915869,12.41214145,42.51094614,12.17575181,17.26967699,15.88533316,133.8692264,0.798287818,0.493846416,0.990440062,0.005906184,0.560359185,0.695207587,0.597697699,135.1613606,173.3712418,361.3080787,0.985660093,1.853264471,131.6143334,0.298442101,0.090468686,0.997053779,0.002260869,0.54164115,0.097194655,0.02005831,132.0032442,51.21323372,186.7700208,0.995580668,0.658894115,131.5594365,0.505452539,0.255072687,0.994252377,0.003819927,0.541189598,0.278800507,0.159450427,132.3199617,100.1831974,249.4647407,0.991378566,0.979440532,134.0272154,0.767829914,0.470006762,0.990848806,0.005676484,0.561682598,0.643124955,0.541384707,135.2650521,166.2646881,349.8981856,0.98627321,1.74619226,131.8190026,0.607445607,0.336879622,0.992887153,0.004575402,0.543327186,0.402667196,0.278129628,132.7633279,124.684646,284.4228934,0.98933073,1.22412401,134.2496643,0.830624701,0.520533624,0.990035766,0.006125514,0.563548626,0.752587403,0.664041694,135.6008226,181.8249197,375.4710127,0.985053649,1.980177724,134.6721004,0.778197754,0.478025748,0.990758192,0.00572506,0.567100783,0.660558879,0.560015891,135.9283239,169.5502561,355.5764079,0.986137288,1.787675554 +UMLCP0035,L,CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO,C14E7,57.6,0,-4.7697,22.75003809,125.4192,94.369994,0,0,94,36,58,0,28,0,8,0,0,0,0,0,0,0,6146.071108,6473.973263,7130.55103,7104.055021,6639.532008,6593.904719,6470.219446,6037.680193,5971.909032,15392.45664,19633.28133,25389.08746,26426.28701,26182.65596,25395.43356,23911.48488,23571.41056,22790.74513,707.619088,716.494772,1363.112848,1695.670108,1560.97512,1745.843948,1540.099624,1415.643244,1564.224072,109.0223805,139.8748937,193.7712601,215.8112478,218.5922717,208.8883588,194.6058901,195.8252327,186.6579735,15759.07607,13749.20654,28368.34947,37653.53102,35243.44732,39680.13944,34166.34985,31890.07204,35458.84664,244.5,221.25,390,468.75,361.5,433.25,428,332.75,392.5,65.38373519,69.61261573,40.51449449,31.57357787,30.73857411,28.05916902,31.71676199,30.96246253,28.43766206,163.7495387,211.1105519,144.2561787,117.4501645,121.2159998,108.0656747,117.2131612,120.8790285,108.5273578,7.527862638,7.70424486,7.744959364,7.536311591,7.226736667,7.429123183,7.549507961,7.259708944,7.448686057,1.159812558,1.504031115,1.100973069,0.959161101,1.012001258,0.888886633,0.953950442,1.004231962,0.888847493,167.6497455,147.8409306,161.1838038,167.3490268,163.164108,168.8516572,167.4821071,163.538831,168.8516506,2.60106383,2.379032258,2.215909091,2.083333333,1.673611111,1.843617021,2.098039216,1.706410256,1.869047619,1.419342738,-0.321625304,-0.839427259,0.68444003,-0.059533121,-0.563336246,0.591332467,-0.058350416,-0.47110204,3238.813664,120.2922708,-1411.767708,-105.0006369,241.1727977,260.4631421,-107.2911528,182.1518787,191.1459091,4383.435651,-465.2988516,-1606.135155,231.1358106,-784.7422381,597.9496466,198.4655492,-659.783846,489.6127404,7.941641872,-0.011249512,-3.173035676,3.610106327,1.098275868,-1.581757872,2.891679171,0.709433392,-1.549983077,19.27321667,-4.420594468,-5.810900337,5.043692916,-6.907076727,1.895922736,4.292487083,-5.827376843,1.512910658,107.6984813,-28.18456748,-30.55290525,36.29488757,-43.03821264,8.119300573,30.78840663,-36.43305494,6.240819604,61.93617021,-0.883657764,-22.12516976,19.39746492,8.944545043,-9.223404255,15.90448167,6.302625622,-9.336124943,0.015099391,-0.003458337,-0.004769473,0.003041956,-2.76E-04,-0.002397176,0.002898689,-2.99E-04,-0.002243343,34.45546452,1.293465277,-8.021407431,-0.466669497,1.11654073,1.108353796,-0.525937024,0.934112199,0.910218615,46.63229416,-5.003213458,-9.125767924,1.027270269,-3.633065917,2.544466581,0.972870339,-3.383506903,2.33148924,0.084485552,-1.21E-04,-0.018028612,0.016044917,0.00508461,-0.006730885,0.014174898,0.00363812,-0.007380872,0.20503422,-0.047533274,-0.033016479,0.022416413,-0.031977207,0.008067756,0.021041603,-0.029883984,0.007204336,1.145728524,-0.303059865,-0.173596053,0.161310611,-0.199250984,0.034550215,0.150923562,-0.186836179,0.029718189,0.658895428,-0.009501696,-0.125711192,0.086210955,0.041409931,-0.039248529,0.077963145,0.032321157,-0.044457738,-0.229038154,-0.315871886,0.201462146,-0.018253471,-0.15875975,0.191973875,-0.019817548,-0.148571758,0.037540207,-0.232805087,-0.013544136,0.032405331,0.032167722,-0.015264256,0.027110713,0.02641725,-0.107290742,-0.195696311,0.02202916,-0.077908797,0.054564474,0.020862588,-0.072557162,0.049997309,-0.001431754,-0.213392839,0.189913147,0.060183196,-0.079669061,0.167778959,0.043062037,-0.087362533,-0.23183093,-0.161029116,0.109330106,-0.155960342,0.039348341,0.102624837,-0.145751201,0.035137239,-0.264512805,-0.151515869,0.140793048,-0.173907676,0.030155673,0.131727158,-0.163071945,0.025938246,-0.014420644,-0.190790809,0.130841635,0.062847501,-0.059567159,0.118324004,0.049053546,-0.067473131,1.244246677,1.673494748,0.897628577,0.57041741,1.154311427,0.940541216,0.64001676,1.181509624,1.136844462,1.379251327,1.033772786,0.872361535,0.945368871,1.041514721,0.891265683,0.9598816,1.532181719,1.294708422,0.947554987,1.152674696,0.879265472,0.944556111,1.137049226,0.882790901,0.934732152,1.601766277,0.950096223,0.469537723,1.118149033,1.001375647,0.554532934,1.160091338,1.781898329,1.293749853,0.855726844,1.253827122,0.87816426,0.857072062,1.230559035,0.881129657,1.833819656,1.304318345,0.828961299,1.259273077,0.886282332,0.833494692,1.237324975,0.890441274,0.95259361,1.379971835,0.855881141,0.410144471,0.97440742,0.905343828,0.475489523,1.024268783,794.7562913,398.3781457,628.4054326,796.6451802,22.12903278,398.3781457,2,0.136787099,0.003799642,-7.16158651,541.3308869,15.03696908,22.65851057,795.0635201,398.5288224,628.6501487,796.9468601,22.13741278,398.5288224,1.994124633,0.136320526,0.003786681,-7.173886888,542.1623852,15.06006626,22.66403602,1068.255576,532.5318103,849.7565017,1065.240951,29.59002643,532.5318103,-3.191955824,0.151336511,0.004203792,-6.79769775,566.0149535,15.7226376,22.81903379,795.3859657,398.686962,628.9069996,797.263482,22.14620783,398.686962,1.987958402,0.135831318,0.003773092,-7.186829291,543.0567679,15.08491022,22.66996989,1358.87451,675.1080777,1088.598477,1350.697175,37.51936598,675.1080777,-8.658354115,0.306690437,0.008519179,-4.254898999,552.3827411,15.34396503,22.73126824,826.9466187,414.1658461,654.1140565,828.2547436,23.00707621,414.1658461,1.385073487,0.090205457,0.002505707,-8.660395291,1163.525704,32.32015845,25.41315627,676.007723,339.631531,534.8127573,679.0057868,18.86127186,339.631531,4.630952381,0.387163074,0.01075453,-3.416073462,498.6621583,13.85172662,22.36294378,0,11.99611932,16.00258,-0.418415521,0.094544693,3.719659702,7.6088329,35,93,93,93,35,0,0,0,0,0,76.818006,3.546960179,3.49465995,3.472675467,3.434913048,3.3782449,3.316568438,3.247270616,3.159386822,1.948323904,1.877687439,1.769121703,1.733327244,1.703984642,1.661809865,1.621190534,1.581797146,3.569416628,3.478938315,3.377357015,3.350947405,3.318057547,3.260336979,3.185166679,3.116323158,1.891086382,1.822830422,1.766983022,1.738945016,1.708543535,1.665561483,1.604631882,1.546596027,3.694298294,3.625073281,3.603272063,3.565132606,3.515571946,3.466189278,3.400263672,3.321327104,1.715292702,1.631618668,1.511947062,1.497000314,1.461403414,1.407038755,1.344396991,1.292875277,3.589329009,3.497495822,3.364201651,3.347530578,3.308724742,3.249839251,3.181472069,3.124869073,1.855371446,1.795181191,1.776440443,1.742000439,1.697556526,1.653544469,1.594332,1.524864201,3.751758478,3.6772757,3.629822266,3.596193932,3.557286132,3.512076016,3.445001835,3.375063684,1.660718607,1.575380209,1.474318873,1.451702091,1.420275328,1.364793047,1.294793197,1.232927258,4.579717575,3.865162452,3.821814895,3.752052215,3.662703436,3.619444204,3.554488798,3.499145897,1.788166146,1.698676528,1.559719479,1.466321296,1.436867184,1.39826038,1.366370318,1.317099745,0,0,0,0,0,16,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26.04163056,17.91421356,12.3137085,8.457106781,5.803300859,3.978553391,2.724873734,1.864276695,0.723378627,0.511834673,0.362167897,0.256275963,0.181353152,0.128340432,0.090829124,0.064285403,23.39683472,14.56478643,8.899301144,5.609903993,3.531205415,2.188926593,1.383513343,0.871765653,0.649912076,0.416136755,0.261744151,0.169997091,0.110350169,0.070610535,0.046117111,0.030060885,49.43139915,93.39257101,88.83137255,90.24,54.99999641,726.3128707,0.525865948,0.993537989,0.945014602,0.96,0.585106345,7.726732667,4.796,143.8968,449.8428689,712.634107,899.6857377,24.99127049,449.8428689,4.72E-16,1.31E-17,-127.0435737,471.4245719,13.095127,22.16073281,1838,1,0,8,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,28,0,0,0,0,0,0,0,0,0,0,0,1,0,27,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.690029252,0,46.47892798,0,0,3.508578521,0,0,3.674432611,0,0,3.731354909,0,0.690029252,0,0,0,0,0,0,0,0,0,0,0,0,0,12.95592738,0,0,0,0,0,0,0,0,0,0,0,2.275425686,0,24.24564633,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.563401993,0,37.91552599,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.690029252,0,5.084680846,0,0,3.508578521,0,0,3.674432611,0,0,3.731354909,0,0.690029252,0,0,0,0,0,0,0,0,0,0,0,0,0,0.215707281,0,0,0,0,0,0,0,0,0,0,0,2.275425686,0,0.038636936,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.563401993,0,5.084680846,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.690029252,0,8.563401993,0,0,3.508578521,0,0,3.674432611,0,0,3.731354909,0,0.690029252,0,0,0,0,0,0,0,0,0,0,0,0,0,0.672068475,0,0,0,0,0,0,0,0,0,0,0,2.275425686,0,1.427834627,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.563401993,0,5.639351378,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,73,2.027777778,0.690029252,8.563401993,-0.073369445,0.038636936,12.66938543,1.461363064,2.563401993,32.50870734,1.461363064,2.563401993,32.50870734,16.66664,0.46296,0,0.03704,0.51844,0.87037,0.43091,0.51844,0.85496,0.08753,0,-0.08753,0.01542,0.53191,0.18238,0,0.05,0,0,21.25,0.59028,21.25,0.59028,0,0,-21.25,-0.59028,0,0,45.80948,1.27249,58.86217,13.05269,0.36257,14.04993,0.39028,17.91421,3.86429,0.10734,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,35.08,8,8,8,8,1,1,1,1.252792729,1.727470509,2.693129414,3.299969627,3.708027242,4.055466558,117.7625165,162.3822279,253.1541649,310.197145,348.5545608,381.2138565,0.191132161,0.263551315,0.410876941,0.503459439,0.565714696,0.618721731,5.301796123,4.827118343,3.861459438,3.254619224,2.846561609,2.499122293,0.191583163,0.2641732,0.411846461,0.504647421,0.567049578,0.620181689,11.51736994,16.54604737,19.89286042,22.6037662,24.88821332,26.53196561,131.7268801,106.9381263,98.0894488,83.34834248,71.54794233,62.11004734,36,35,35.03030303,36,0,14,3.66,4.5234,0,2.267255618,0,0,0,0,0,0,0,0,0,0.69033221,3.11108609,0,0,0,0,0,0,0.259,1.862,1.957,1.677,0.332,17.044,34,33,32,31,30,29,28,27,26,341,3.583518938,3.555348061,3.526360525,3.496507561,3.465735903,3.433987204,3.401197382,3.36729583,3.33220451,3.295836866,5.834810737,1,0.485714286,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,33,0.942857143,35,1,2,18,35,0.944444444,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.014285714,0.006535948,0.003787879,0.0025,0.001792115,0.001360544,0.001077586,8.82E-04,7.41E-04,6.36E-04,0.042533146,449.8428689,712.634107,899.6857377,24.99127049,449.8428689,4.72E-16,1.31E-17,-127.0435737,471.4245719,13.095127,22.16073281,84.84,563.1658418,6.169925001,4.934473933,5.609471795,6.289715571,6.970730078,7.65396918,8.337348564,9.021960501,9.706559843,10.39197554,139.916205,4.262679877,0,5.332718793,0,6.517671273,0,7.75576717,0,9.024131268,9.360741173,522.4131688,5.557586902,70.82842712,1.967456309,23.33048896,23.33048896,0,7770,33,5.211,138,1.245946237,2.130660373,2.851231556,3.635539079,4.83979873,5.929775745,7.149775586,8.149103199,9.495377102,10.59348466,99.12657216,94.21709664,108.7673513,140.6960195,161.3839346,219.1884187,251.1873365,263.3596987,333.4584879,363.4981551,286.2686965,324.9371535,369.6116254,513.2674555,579.5193371,767.903652,931.3004566,960.416274,1177.771286,1353.074936,9.689980966,16.55844445,21.62540472,26.650114,36.22800163,45.24957244,52.25189785,61.15489346,72.22054517,77.76856252,1.981336884,2.442869066,2.912283607,4.095295383,4.6042678,6.068336526,7.538828469,7.664720163,9.370345473,10.9600634,182.5339508,340.5129913,473.8933267,579.5756059,808.2849221,981.2772905,1158.893333,1362.435249,1581.648609,1724.190857,3.094895161,4.81838155,6.250539721,6.606272582,9.322458671,13.19595303,12.69194301,15.8465698,20.7380434,19.10151919,0.458568942,0.588258564,0.683634699,0.935788095,1.105867826,1.435067023,1.734740409,1.849269032,2.230424897,2.541892501,1263.187708,4684.26047,59.43331093,316.8186072,-1174.8538,-62.3482546,946.3691004,5859.11427,121.7815655,0.799482696,2.964709968,0.037615869,0.200517304,-0.743575382,-0.039460763,1995.844555,7401.161123,93.90500658,500.5754,-1856.276422,-98.51063598,0.056584747,0.106080171,1.005171714,4.081428867,1425.372886,154.6334283,0.902131133,0.097868867,2706.829866,52.02720314,13.93649789,3277.021855,57.24527802,14.85341947,4933.896871,70.24170322,17.02406841,6.521313883,6.521313883,79728.69885,79621.34505,200.6139409,1.001348304,397.4235215,396.8883952,11.4186227,21.39376252,42.28582039,0.976549022,16.6116703,24.71180102,30.89829095,101.5671407,26.91664489,10.09621954,47.6172613,38.15292617,55.67920672,0.97627499,43.51453738,42.55625667,75.22729035,47.80037241,4.183687561,32.70517292,24.2895019,31.23208699,37.8099687,34.28492268,15.69438794,23.25434901,21.80943889,24.53027779,34.23560021,17.05247165,63.7630431,17.62594529,17.72071588,28.24709431,1.414009104,26.61681372,3.136048952,17.60792346,0.193228409,13.01170771,3.951671601,5.583441385,11.71035697,0.025960452,11.27600142,2.717429149,24.21778418,9.222693435,2.331635543,4.40261483,0.835815286,5.435197603,6.565304418,20.39325573,3.328371432,7.457190199,3.169603615,3.911243795,5.796479352,3.387106259,13.87024746,3.057376735,6.360505664,3.466972625,4.445139863,23.07331982,6.132132018,25.42812874,1.984875417,7.673341367,11.3976596,5.763107337,17.42349673,0.119792737,13.1700613,9.201553043,25.05233582,14.83395034,1.689919402,8.285770736,3.406194492,7.779908238,11.31861728,17.39377063,4.567559043,6.032357282,5.022810479,7.003326677,8.231991768,4.887073844,16.89483568,4.516766411,5.972768751,5.921578752,15.90302028,26.61003723,36.64152718,95.14253301,23.98483449,13.45198303,45.11522165,35.89877804,52.53972731,0.882669219,44.19566599,39.58212384,75.02380338,45.03746202,4.556555537,31.22871282,22.07105317,34.19536595,35.53036608,36.9403499,15.32632706,25.48178723,20.54858339,22.98218753,37.34771401,16.49629119,61.74427655,16.85915635,18.78690511,26.41919887,6.484416702,21.72679528,6.855251687,33.37777135,4.302434484,6.48548027,16.76974763,7.880622783,22.14960285,0.213941456,15.57407395,14.12987758,29.89031715,19.26637687,1.588389752,11.34890535,5.828566506,9.009965091,15.01746087,18.33047946,5.664690866,5.937636493,6.827986395,9.433673624,9.54760018,6.207370725,21.78626913,5.913950716,6.32085947,8.321154787,20.24162783,25.91445571,43.92181222,135.4061253,39.24357065,12.25336314,60.20336736,54.12910823,71.33473555,1.363083051,55.84186509,54.41899187,96.07408209,60.47143854,5.286307214,42.24363164,33.40040904,42.66269909,47.69404757,41.1427841,20.51166698,32.31411599,29.02031255,31.12364941,47.10760037,22.0642171,83.48544998,23.11222246,23.07656096,37.98602931,12.39224796,32.54059949,42.56473792,63.95604995,11.69387783,30.74951197,31.03467539,24.91958701,36.77105731,0.476385215,40.53471636,25.6357734,76.93037142,31.645701,5.503308368,22.14527876,12.41856368,35.46314409,24.85968903,51.94528074,11.83186341,28.65659143,13.92017897,16.04082759,38.75124861,12.43461707,54.41852108,12.19779935,20.71772377,17.2255454,159.2427366,0.791453133,0.492213002,0.992003396,0.004930361,0.563110827,0.695210201,0.595741478,160.5264027,204.8040717,427.3656357,0.988005093,1.854062506,155.1545921,0.294927763,0.089214572,0.997530246,0.001896169,0.53457869,0.096564338,0.019571462,155.5387344,59.62775904,219.2488984,0.99629537,0.650714489,156.4033626,0.50090977,0.253576687,0.995199181,0.003187304,0.543214206,0.278659547,0.158113999,157.157849,118.1312379,295.1552919,0.992798771,0.979987751,159.1184497,0.760173306,0.467630757,0.992342795,0.004740824,0.56223253,0.641415471,0.537722008,160.3462537,195.7217594,412.6315062,0.988514193,1.741370009,157.1519952,0.603024446,0.335886721,0.994060941,0.003814416,0.548424936,0.403840927,0.27741973,158.0909064,147.754311,337.6760246,0.991091412,1.229685593,159.6111112,0.823271882,0.518716316,0.991662241,0.00511498,0.565718604,0.752094744,0.66162437,160.9530994,214.6232719,443.7374276,0.987493361,1.979437718,159.969128,0.770862513,0.476092726,0.992265317,0.004781548,0.568259592,0.659450852,0.55735868,161.2160832,199.8413442,419.766423,0.988397976,1.785069124 +UMLCP0036,L,CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO,C14E8,70.5,0,-4.9006,24.01588036,136.4627,101.359166,0,0,101,39,62,0,30,0,9,0,0,0,0,0,0,0,6694.631607,7050.993714,7774.111577,7765.55184,7269.045067,7243.56165,7131.716265,6667.193252,6621.565963,16580.2162,21121.2037,27267.23184,28401.04756,28253.85977,27460.08041,25886.24543,25642.61438,24855.39198,762.925692,772.573584,1470.51326,1817.331912,1672.398316,1893.555144,1661.761428,1527.06644,1711.935268,117.0218361,149.7966509,206.7213151,230.4039526,234.7466578,224.5060913,209.1985949,211.9796188,202.275706,16937.78668,14795.17775,30524.89308,40185.46893,37641.57932,42946.18896,36698.28775,34288.20405,38724.89616,265.25,240,424.75,509.5,390.25,474,468.75,361.5,433.25,66.28348126,70.50993714,41.13286549,32.356466,31.46772756,28.51795925,32.56491445,31.7485393,28.91513521,164.1605564,211.212037,144.2710679,118.3376982,122.3110813,108.1105528,118.2020339,122.1076875,108.5388296,7.553719723,7.72573584,7.780493439,7.5722163,7.23981955,7.454941512,7.587951726,7.271744952,7.47569986,1.158632041,1.497966509,1.093763572,0.960016469,1.016219298,0.883882249,0.955244725,1.009426756,0.883300026,167.7008582,147.9517775,161.5073708,167.4394539,162.9505598,169.0794841,167.5720902,163.2771621,169.1043501,2.626237624,2.4,2.247354497,2.122916667,1.689393939,1.866141732,2.140410959,1.721428571,1.891921397,1.584442062,-0.353151328,-0.952330959,0.777846115,-0.060705106,-0.655570346,0.684738552,-0.059522401,-0.56333614,3513.626543,144.8445997,-1532.443522,-141.2653743,267.2805759,303.9177128,-143.7736625,207.232634,232.5244812,4699.026755,-520.8385223,-1681.293598,260.4674624,-917.6425853,709.6378076,227.835292,-792.0845337,600.3326885,8.871821703,-0.028684221,-3.715450038,3.991233498,1.263103709,-1.917301392,3.270246169,0.856733885,-1.892646673,20.64925159,-5.024805485,-6.013522106,5.775655878,-7.99770346,2.254790797,5.024322402,-6.919187299,1.872405861,115.5405751,-32.10937089,-31.67088824,41.5276662,-49.76566034,9.650871772,36.01872994,-43.1822791,7.781306098,67.00990099,-0.831585139,-25.26605235,20.88736398,10.06151358,-10.95064209,17.37457112,7.340799922,-11.1066072,0.015687545,-0.003531513,-0.005038788,0.003241025,-2.63E-04,-0.002580986,0.00312666,-2.83E-04,-0.002459983,34.78838161,1.448445997,-8.108166781,-0.588605726,1.15705877,1.196526428,-0.656500742,0.986822067,1.015390748,46.52501738,-5.208385223,-8.895733324,1.085281093,-3.972478724,2.793849636,1.040343799,-3.771831113,2.621540124,0.087839819,-2.87E-04,-0.019658466,0.01663014,0.005467981,-0.007548431,0.014932631,0.004079685,-0.008264833,0.204448036,-0.050248055,-0.031817577,0.024065233,-0.034622093,0.008877129,0.022942111,-0.032948511,0.008176445,1.14396609,-0.321093709,-0.167570837,0.173031942,-0.215435759,0.037995558,0.164469086,-0.2056299,0.033979503,0.663464366,-0.008315851,-0.133682817,0.087030683,0.043556336,-0.043112764,0.079335941,0.03495619,-0.048500468,-0.225115736,-0.321196726,0.206598639,-0.016751675,-0.164524506,0.199308434,-0.018067837,-0.156811223,0.041635912,-0.233071112,-0.016919606,0.033259919,0.034394426,-0.018871264,0.028366426,0.02918764,-0.111948055,-0.191203224,0.023326828,-0.085383713,0.06005048,0.022360955,-0.081071031,0.056346892,-0.003265515,-0.223799025,0.189323473,0.062249462,-0.085934042,0.169998426,0.046444599,-0.094089819,-0.245774212,-0.15562672,0.11770831,-0.169344219,0.043419978,0.112214878,-0.161158364,0.039992778,-0.280684639,-0.146482347,0.151256181,-0.188323553,0.033213885,0.143770946,-0.179751745,0.029703243,-0.012533983,-0.201492082,0.131176123,0.06564985,-0.064981281,0.1195783,0.052687366,-0.073101843,1.240635947,1.693946618,0.910022093,0.568402884,1.172204065,0.952879255,0.632550419,1.20281597,1.121366625,1.379577494,1.042615765,0.870134356,0.946202406,1.05148717,0.888080902,0.960395965,1.532428703,1.282703521,0.945767803,1.167249565,0.870570177,0.942517052,1.153801511,0.872570673,0.935005716,1.622226675,0.96550708,0.467455984,1.13453694,1.016375816,0.544974025,1.177921066,1.797120104,1.280934086,0.846497256,1.276839185,0.868850655,0.846573242,1.257003015,0.870216551,1.852097431,1.292910991,0.818361313,1.282955527,0.878062285,0.821395627,1.264608782,0.880766217,0.947621158,1.411384261,0.878290608,0.413455733,0.995857067,0.926735538,0.474343549,1.044295916,926.5184751,464.3842376,731.9544497,928.6530905,23.8116177,464.3842376,2.25,0.131441049,0.003370283,-7.913867622,545.2505569,13.98078351,24.57485716,926.8977691,464.5705796,732.2585196,929.0261136,23.8211824,464.5705796,2.243390212,0.130987271,0.003358648,-7.927354992,544.8922417,13.97159594,24.57229341,1263.917312,630.1631807,1005.74566,1260.510513,32.32078237,630.1631807,-3.590950303,0.142292525,0.003648526,-7.604494184,527.963551,13.53752695,24.44920627,927.2958483,464.7661508,732.577663,929.4176116,23.83122081,464.7661508,2.236453202,0.130511523,0.003346449,-7.941545664,544.5229272,13.96212634,24.56964919,1622.039418,806.1493848,1299.641931,1612.79829,41.35380231,709.7827129,-9.740648379,0.285925489,0.007331423,-4.882893722,503.8838041,12.92009754,24.26714821,966.2554999,483.9068538,763.8766841,967.7337995,24.81368717,483.9068538,1.558207673,0.086329684,0.002213582,-9.553368918,534.1450507,13.69602694,24.49460299,777.6825462,390.6622696,613.3758658,781.0578726,20.02712494,390.6622696,5.2,0.381602831,0.009784688,-3.757162189,721.6322821,18.50339185,25.66791125,0,11.99611375,16.00351374,-0.41842581,0.09539195,3.719658608,7.608837574,38,100,100,100,38,0,0,0,0,0,83.106834,3.546960548,3.496326564,3.477073994,3.446297937,3.398458074,3.341952709,3.283249241,3.21030189,1.948323904,1.877687439,1.769122445,1.735583995,1.711841815,1.676352197,1.636413723,1.603024718,3.569416628,3.47893832,3.379569117,3.356193472,3.328564574,3.283132786,3.219385707,3.150339515,1.891086382,1.822830532,1.769194595,1.745376623,1.717192526,1.683425919,1.632706402,1.575345262,3.694298301,3.625160685,3.606703037,3.575184772,3.531517675,3.486050099,3.4337904,3.364520976,1.715292702,1.631618668,1.5124054,1.500219014,1.471632774,1.426957495,1.371155656,1.3180425,3.589329009,3.497495822,3.36455706,3.351034899,3.319811384,3.271490972,3.21092678,3.152540333,1.855371457,1.795286803,1.779554247,1.751020086,1.711671933,1.671138923,1.624128383,1.562242237,3.751758478,3.677276423,3.632487686,3.604453394,3.568481567,3.531191726,3.477143255,3.411160078,1.660718607,1.575380212,1.476251076,1.45600019,1.430415746,1.386238515,1.326170359,1.263089083,4.582339371,3.869379306,3.834897849,3.77885096,3.704061977,3.631188581,3.602202849,3.530672243,1.787453387,1.69796213,1.55900157,1.467762049,1.44401255,1.409758397,1.378531666,1.342586921,0,0,0,0,0,18,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,28.1629509,19.41421356,13.37436867,9.207106781,6.333630945,4.353553391,2.990038777,2.051776695,0.722126946,0.510900357,0.361469424,0.255752966,0.180960884,0.128045688,0.090607236,0.064118022,25.21929657,15.6421367,9.51167358,5.981912461,3.751118618,2.313926593,1.459449253,0.916655247,0.64664863,0.411635176,0.257072259,0.166164235,0.107174818,0.068056664,0.044225735,0.028645476,53.22985386,100.4989075,95.63137255,97.16,59.07734491,780.5239018,0.527028256,0.995038688,0.946845273,0.961980198,0.584924207,7.727959424,4.8126,154.7158,528.0097258,836.3954872,1056.019452,27.07742184,528.0097258,4.16E-16,1.07E-17,-138.1186744,2000349.905,51291.0232,56.58444743,2166,1,0,9,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,30,0,0,0,0,0,0,0,0,0,0,0,1,0,29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.689548809,0,51.99381401,0,0,3.506719717,0,0,3.672168732,0,0,3.728390871,0,0.689548809,0,0,0,0,0,0,0,0,0,0,0,0,0,14.3629342,0,0,0,0,0,0,0,0,0,0,0,2.27543634,0,25.23074965,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.569621059,0,43.42419295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.689548809,0,5.085527916,0,0,3.506719717,0,0,3.672168732,0,0,3.728390871,0,0.689548809,0,0,0,0,0,0,0,0,0,0,0,0,0,0.216364743,0,0,0,0,0,0,0,0,0,0,0,2.27543634,0,0.035226617,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.569621059,0,5.085527916,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.689548809,0,8.569621059,0,0,3.506719717,0,0,3.672168732,0,0,3.728390871,0,0.689548809,0,0,0,0,0,0,0,0,0,0,0,0,0,0.677170516,0,0,0,0,0,0,0,0,0,0,0,2.27543634,0,1.426602564,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.569621059,0,5.647769608,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,79.5,2.038461538,0.689548809,8.569621059,-0.076995915,0.035226617,13.14420983,1.464773383,2.569621059,36.53850069,1.464773383,2.569621059,36.53850069,17.99997,0.46154,0,0.03846,0.52277,0.87692,0.43109,0.52277,0.8625,0.09168,0,-0.09168,0.01442,0.52631,0.18798,0,0.0463,0,0,23.25,0.59615,23.25,0.59615,0,0,-23.25,-0.59615,0,0,50.13643,1.28555,65.1976,15.06117,0.38618,15.04621,0.3858,19.41421,4.368,0.112,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,38.09,9,9,9,9,1,1,1,1.263199462,1.724732315,2.662267285,3.238858803,3.627560669,3.960726434,127.5831456,174.1979639,268.8889958,327.1247391,366.3836276,400.0333698,0.189720538,0.25903838,0.39984721,0.486445769,0.54482509,0.594863417,5.395012021,4.933479167,3.995944198,3.41935268,3.030650813,2.697485049,0.190130464,0.259598081,0.400711155,0.487496826,0.546002286,0.596148731,11.64969915,16.5634887,19.75944617,22.34837137,24.54452191,26.14164851,142.8096708,116.7601387,107.9639984,93.09377583,81.06812656,71.34625175,39,38,38,39,0,14,3.77,4.8639,0,2.254190748,0,0,0,0,0,0,0,0,0,0.708400186,3.74686121,0,0,0,0,0,0,0.259,2.073,2.183,1.862,0.346,18.402,37,36,35,34,33,32,31,30,29,374,3.663561646,3.63758616,3.610917913,3.583518938,3.555348061,3.526360525,3.496507561,3.465735903,3.433987204,3.401197382,5.926926026,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,36,0.947368421,38,1,2,19,38,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.013157895,0.006006006,0.003472222,0.002285714,0.001633987,0.001236858,9.77E-04,7.96E-04,6.67E-04,5.70E-04,0.03901783,528.0097258,836.3954872,1056.019452,27.07742184,528.0097258,4.16E-16,1.07E-17,-138.1186744,2000349.905,51291.0232,56.58444743,94.07,606.5480378,6.285402219,5.017279837,5.693732139,6.37502482,7.057036982,7.74109909,8.425297177,9.110630528,9.79595802,10.48203724,146.6980958,4.343805422,0,5.416100402,0,6.602587892,0,7.841885929,0,9.111293218,9.447465721,566.4393836,5.608310728,76.82842712,1.96995967,26.33048893,26.33048893,0,9880,36,5.021,150,1.239427133,2.12471446,2.864537045,3.694056463,4.887670919,5.986186971,7.247777927,8.239115133,9.596445892,10.74048099,100.751138,96.67617942,112.8689478,146.1219621,166.1988952,228.1649548,261.1591085,271.4215221,347.869833,378.6469852,285.8408033,326.4384729,376.5550583,524.3126826,586.003328,783.6721661,952.3939942,971.5033438,1203.789734,1386.383543,9.685007607,16.61785287,21.84359626,27.14276792,36.76424349,45.94903486,53.08018761,62.11605992,73.43561713,78.97913325,1.963434177,2.429326529,2.94457918,4.16166035,4.61879805,6.145294073,7.667707604,7.693181057,9.500449829,11.17047075,181.7526282,340.0996905,475.7927661,588.61726,817.7358781,990.8403156,1173.249681,1380.073088,1599.032809,1744.94985,3.130376017,4.907431974,6.427243088,6.78876344,9.579212909,13.64218626,13.00394641,16.27643701,21.47880912,19.53896365,0.458029141,0.590228418,0.69443972,0.955505705,1.119020696,1.461424685,1.771528829,1.872193698,2.274371632,2.599207586,1210.449563,4943.782425,57.80137264,209.5455963,-855.8372592,-54.36260104,1000.903966,5799.619684,112.1639737,0.852432176,3.481548789,0.040705331,0.147567824,-0.60270435,-0.038283652,1718.832519,7020.14711,82.07766932,297.5537322,-1215.284765,-77.1946303,0.051375951,0.096315172,1.169500959,3.480799427,1267.282512,152.7126471,0.892455516,0.107544484,2922.950777,54.06432073,14.29795197,3548.731028,59.57122651,15.25308515,5312.260848,72.8852581,17.44856828,7.175126618,7.175126618,103984.5783,103870.2568,210.2779854,1.001100619,494.5100558,493.9663873,12.0758813,23.7980952,46.76568942,0.965102208,24.92374522,29.72402698,28.5727138,106.3247825,59.27669931,2.912164473,73.11203048,29.06352423,77.22567139,0.295148999,25.80888997,53.63853991,13.86841843,55.92768654,0.001473361,69.78612583,27.87986074,71.69486347,44.72377244,0.17878669,50.5504565,15.48385024,63.70056272,31.35673276,11.05212091,24.53566818,8.203104805,25.01138713,16.15163966,52.51383149,2.117086258,32.82831732,2.940981614,22.07719379,0.419675619,3.178369171,6.820796189,0.302121278,13.66067379,0.002079644,27.03933257,3.026229104,5.9513738,9.97399504,3.09E-04,11.88958256,0.933540786,26.29596587,7.386385698,0.233528711,4.839897821,0.28121225,10.98981497,4.765947294,9.458733993,4.317586856,0.155949692,4.521187953,2.363018134,18.28904386,6.681735005,27.01651425,6.167643349,26.1637762,4.356160859,1.682874583,19.97061638,2.197241299,21.47876427,0.021664539,18.45681347,10.54395379,4.896564728,16.18856976,2.54E-04,19.03129165,3.900756798,25.05012485,12.69356622,0.141843619,8.812869052,1.567614947,16.15899103,8.481173579,7.448829097,6.19326952,0.752994636,6.390259462,4.235497035,19.17706794,23.81058874,32.83583598,33.18538176,100.8603598,52.81602977,3.870087256,69.67641253,25.92930845,75.15028554,0.262973053,30.82282874,49.61824893,14.03485008,52.65367616,0.001411274,74.27855599,25.33812375,76.83837768,42.03427317,0.234811125,47.09883537,13.91079699,64.60598865,29.39102648,12.57859972,23.72582833,7.352975923,24.26463964,15.16755089,57.46192886,9.762248929,24.80931641,7.230856241,32.62661567,9.456792018,1.420487774,28.91883335,4.680346941,27.49174166,0.047056096,15.30623869,16.52135933,5.332156989,21.25339764,3.09E-04,23.16937093,6.688768093,26.28483981,16.93650877,0.12161481,12.9742905,2.990046118,20.21325594,11.48522907,6.758562013,7.982292177,1.476124609,8.200794656,5.763139933,20.29703896,30.32960659,31.70668509,39.58909662,144.5706675,86.44243088,3.684689296,88.98603342,42.34438684,101.2038049,0.430444194,30.25268794,69.94464312,18.44177416,71.79929152,0.002091914,91.85601307,38.32419137,93.17687295,57.16365317,0.212860834,69.59656374,22.03929493,84.7732945,40.31698202,12.89060725,32.55501143,11.80277814,33.07350766,20.88034412,67.80853922,18.30477871,42.56991079,37.5379521,72.34553052,25.77609149,8.521540195,49.66321314,12.77974906,57.90262057,0.128312824,45.47829385,31.17858916,15.34607395,36.52510756,0.001056321,72.50336217,14.34347885,81.0385036,29.18289357,0.499108927,29.81360434,7.256913666,57.11898637,20.34781759,16.31211481,17.66420425,3.778415886,18.39063635,10.86912901,63.56866524,192.6874179,0.786758849,0.471016569,0.993514789,0.004056604,0.564609059,0.714726008,0.601061658,193.9451933,242.728074,508.0786873,0.990272184,1.880396725,186.4518252,0.286481104,0.08470149,0.998013186,0.001533436,0.528659462,0.094902901,0.019489262,186.8230078,69.23193756,260.5792691,0.997019779,0.643051625,189.1330348,0.495071236,0.242226752,0.996116834,0.002607418,0.543972121,0.283263291,0.159286048,189.8703328,139.5673255,352.1183967,0.994175251,0.98652146,192.2552374,0.754027791,0.446837703,0.993792569,0.003897669,0.562079269,0.656525208,0.541070542,193.4561029,231.2096086,489.441893,0.990688853,1.75967502,190.4434966,0.598849917,0.321601625,0.995190047,0.003129377,0.55153594,0.414353613,0.280607653,191.3639481,175.4866012,403.528273,0.992785071,1.246497205,193.062234,0.818379434,0.496282218,0.993236533,0.004210271,0.566807707,0.773235758,0.667099852,194.3768956,254.2176626,527.0062364,0.9898548,2.007143317,193.3574351,0.765614278,0.455315201,0.993725256,0.003934735,0.568542542,0.67680848,0.561761847,194.5783645,236.4243882,498.4063461,0.990587884,1.807112869 +UMLCP0037,L,CCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO,C15E6,37.5,0,-4.9268,24.27335824,117.2873,90.474408,0,0,90,34,56,0,27,0,7,0,0,0,0,0,0,0,5743.806858,6065.431109,6680.69902,6639.314931,6206.775678,6141.004517,6005.479356,5604.923863,5519.00883,14690.38147,18798.34909,24424.49019,25458.32481,25118.25049,24337.58506,22943.52268,22507.00509,21732.89662,673.289928,682.19174,1298.441944,1636.893204,1512.436824,1661.017652,1481.32272,1367.104948,1479.397776,104.7010507,134.969125,188.5088953,210.2400718,211.4594144,202.2921553,189.0347141,188.6923754,180.06177,15076.99513,13136.27479,27136.00805,36600.54828,34324.27047,37893.04506,33113.3671,30970.89519,33671.75226,228,207.75,364.5,440.25,345,404.75,399.5,316.25,364,63.8200762,68.15091134,39.53076343,30.31650653,29.55607466,27.29335341,30.33070382,29.65568181,27.59504415,163.2264608,211.2174055,144.5236106,116.2480585,119.6107166,108.1670447,115.8763772,119.084683,108.6644831,7.4809992,7.66507573,7.683088426,7.474398192,7.202080114,7.382300676,7.481427879,7.233359513,7.39698888,1.163345007,1.516507023,1.11543725,0.960000328,1.006949592,0.899076246,0.954720778,0.998372357,0.90030885,167.5221681,147.5985932,160.568095,167.1257912,163.448907,168.4135336,167.2392278,163.8671703,168.3587613,2.533333333,2.334269663,2.156804734,2.010273973,1.642857143,1.798888889,2.017676768,1.673280423,1.82,1.258486252,-0.290099281,-0.728644977,0.591033945,-0.058361136,-0.471102146,0.497926382,-0.05717843,-0.378867894,3046.132006,95.86169518,-1331.765792,-64.86844224,217.6109864,218.3430308,-67.03689568,160.0912199,152.2671301,4217.94194,-410.1530222,-1607.474887,201.4090705,-651.7632973,485.7203635,168.639687,-527.7262572,378.7494749,7.0421904,0.01970416,-2.59237664,3.27917456,0.9453584,-1.2061336,2.56356672,0.58641296,-1.1636352,18.569742,-3.810649246,-5.920358594,4.319557239,-5.823646591,1.552742233,3.568796546,-4.739530973,1.167330864,103.5196762,-24.20870121,-31.05442916,31.14587163,-36.35766645,6.724590307,25.6447547,-29.6988725,4.822918109,57.15555556,-0.814938272,-18.73654321,18.28259259,7.903703704,-7.205555556,14.82444444,5.423333333,-7.234567901,0.013983181,-0.003259542,-0.004311509,0.002698785,-2.78E-04,-0.002093787,0.00251478,-3.03E-04,-0.001894339,33.84591118,1.077097699,-7.880270957,-0.296202933,1.036242792,0.97041347,-0.33857018,0.847043491,0.76133565,46.86602155,-4.608460923,-9.511685724,0.919676121,-3.103634749,2.158757171,0.851715591,-2.792202419,1.893747374,0.07824656,2.21E-04,-0.015339507,0.0149734,0.004501707,-0.005360594,0.012947307,0.003102714,-0.005818176,0.206330467,-0.042816284,-0.035031708,0.019724006,-0.02773165,0.006901077,0.018024225,-0.025076883,0.005836654,1.150218625,-0.272007879,-0.183754019,0.142218592,-0.173131745,0.029887068,0.129518963,-0.157136892,0.024114591,0.635061728,-0.00915661,-0.11086712,0.083482158,0.037636684,-0.032024691,0.074870932,0.028694885,-0.03617284,-0.233104512,-0.30833534,0.193002237,-0.019874604,-0.149736128,0.179843183,-0.021635377,-0.135472717,0.031823569,-0.232827857,-0.008751513,0.030616484,0.028671513,-0.010003282,0.025026464,0.022494169,-0.098332668,-0.202954836,0.019623516,-0.066223559,0.046062309,0.018173414,-0.059578397,0.040407684,0.002829454,-0.196040653,0.191361765,0.057532327,-0.068509003,0.165468062,0.039653041,-0.074356956,-0.207513143,-0.169784464,0.095594247,-0.13440405,0.033446716,0.0873561,-0.121537473,0.028287894,-0.236483633,-0.159755732,0.123644835,-0.150520728,0.025983815,0.112603778,-0.136614804,0.020965224,-0.014418456,-0.174576918,0.131455187,0.059264608,-0.050427683,0.117895518,0.045184403,-0.056959565,1.24965485,1.644670339,0.877360974,0.57018562,1.123696546,0.915380426,0.642637226,1.139249262,1.163789756,1.381095989,1.020742896,0.877108764,0.944257476,1.025555967,0.895783787,0.95755321,1.530756937,1.315831392,0.952117371,1.130429751,0.894445522,0.950077375,1.112624269,0.9006249,0.933676545,1.569918696,0.923282155,0.468740159,1.087349789,0.969474265,0.559159079,1.119955729,1.75463204,1.31582925,0.872430466,1.217802735,0.894168498,0.876191962,1.190896873,0.900003405,1.801335754,1.324110511,0.847939458,1.222057898,0.900374278,0.85498767,1.195989996,0.906968743,0.957912131,1.338323157,0.823016308,0.404118529,0.941213064,0.869017744,0.47167759,0.986846326,718.0100484,359.8800242,568.6997549,719.6571072,21.16638551,359.8800242,1.75,0.146223603,0.004300694,-6.536902215,477.7850607,14.05250178,20.97514729,718.2570297,360.0009444,568.8934594,719.89925,21.17350735,360.0009444,1.744859054,0.145737388,0.004286394,-6.548226572,478.2279446,14.06552778,20.97829747,938.1793421,467.6931904,745.4613616,935.5506726,27.51619625,467.6931904,-2.792961346,0.169836181,0.004995182,-6.027931228,395.5963621,11.63518712,20.33334097,718.5162448,360.1278542,569.0967743,720.153387,21.18098197,360.1278542,1.739463602,0.145227491,0.004271397,-6.560143144,478.7090729,14.07967861,20.98171637,1172.62378,582.5238599,938.3333982,1165.49337,34.27921678,582.5238599,-7.57605985,0.351415891,0.010335761,-3.555668604,404.8624243,11.90771836,20.41206088,743.8925761,372.5522577,589.0743298,745.0332249,21.91274191,372.5522577,1.211939301,0.097252617,0.002860371,-7.923507503,1065.209626,31.32969489,23.70115143,624.7426886,313.8014846,496.9651276,627.3639402,18.4518806,313.8014846,4.063492063,0.394598966,0.011605852,-3.16161004,415.0398572,12.20705462,20.49647349,0,11.99612238,16.00167568,-0.418405818,0.093931136,3.719661249,7.618929267,33,89,89,89,33,0,0,0,0,0,72.715592,3.549580815,3.495557972,3.472596686,3.425008732,3.364744333,3.300768229,3.214542217,3.127461045,1.950985449,1.887894796,1.789245948,1.731045433,1.696664783,1.660054363,1.620903869,1.556970488,3.572895426,3.492029098,3.380168772,3.359748941,3.31101729,3.238617832,3.171824724,3.098502215,1.893641718,1.832178112,1.765455905,1.740692942,1.706631112,1.648222593,1.589866189,1.532607641,3.697028825,3.63294838,3.600656658,3.556817043,3.510233955,3.450776028,3.371786292,3.300894253,1.718493145,1.643800436,1.529912894,1.497260189,1.451445928,1.391642566,1.342494777,1.270367365,3.592870081,3.511021864,3.385293792,3.347210342,3.29782195,3.23302281,3.179486125,3.100930202,1.857720222,1.801768615,1.774159435,1.734566336,1.692883817,1.639602897,1.56971971,1.50760138,3.754587258,3.687343887,3.627404007,3.593583802,3.556579437,3.493682855,3.423386662,3.359895072,1.66398375,1.587684882,1.479130571,1.459693174,1.412462725,1.344914409,1.284908039,1.214710232,4.578263124,3.860094054,3.80405011,3.715521917,3.630884964,3.595204244,3.52963166,3.446095083,1.792154498,1.712790763,1.588173124,1.464874553,1.438689915,1.410906142,1.356041256,1.287736614,0,0,0,0,0,14,13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,24.627417,16.91421356,11.60660172,7.957106781,5.449747468,3.728553391,2.548097039,1.739276695,0.724335794,0.512551926,0.362706304,0.256680864,0.181658249,0.128570807,0.091003466,0.064417655,22.28147965,13.98743616,8.640482099,5.487895525,3.488068907,2.188926593,1.39596578,0.889376058,0.655337637,0.423861702,0.270015066,0.177028888,0.116268964,0.075480227,0.049855921,0.032939854,47.17477224,89.17407138,84.75686275,86.08,52.7212024,695.1300946,0.524164136,0.990823015,0.941742919,0.956444444,0.585791138,7.723667718,5.1695,137.6948,401.2057142,635.6270286,802.4114283,23.60033613,401.2057142,1.11E-15,3.27E-17,-117.0763326,427.3780274,12.56994198,20.59607437,1634,1,0,7,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,27,0,0,0,0,0,0,0,0,0,0,0,1,0,26,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.689551068,0,41.00246266,0,0,3.507311992,0,0,3.674044527,0,0,3.732918918,0,0.689551068,0,0,0,0,0,0,0,0,0,0,0,0,0,11.76655106,0,0,0,0,0,0,0,0,0,0,0,2.278765477,0,24.71877187,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.560341809,0,32.44212085,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.689551068,0,5.086370185,0,0,3.507311992,0,0,3.674044527,0,0,3.732918918,0,0.689551068,0,0,0,0,0,0,0,0,0,0,0,0,0,0.213523594,0,0,0,0,0,0,0,0,0,0,0,2.278765477,0,0.04312111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.560341809,0,5.086370185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.689551068,0,8.560341809,0,0,3.507311992,0,0,3.674044527,0,0,3.732918918,0,0.689551068,0,0,0,0,0,0,0,0,0,0,0,0,0,0.665124031,0,0,0,0,0,0,0,0,0,0,0,2.278765477,0,1.435367618,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.560341809,0,5.63613791,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,68,2,0.689551068,8.560341809,-0.072508121,0.04312111,12.89887473,1.45687889,2.560341809,28.56245627,1.45687889,2.560341809,28.56245627,15.83331,0.46569,0,0.03431,0.51074,0.85784,0.43077,0.51074,0.84191,0.07997,0,-0.07997,0.01594,0.54286,0.17143,0,0.05263,0,0,19.75,0.58088,19.75,0.58088,0,0,-19.75,-0.58088,0,0,43.52728,1.28021,54.70581,11.17853,0.32878,13.55365,0.39864,16.91421,3.36057,0.09884,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,33.07,7,7,7,7,1,1,1,1.233571734,1.717453186,2.705241725,3.332651706,3.758046992,4.122139448,111.021456,154.5707867,243.4717552,299.9386535,338.2242293,370.9925504,0.19001843,0.264555153,0.41671333,0.513359076,0.578886635,0.634971153,5.258281363,4.77439991,3.786611372,3.159201391,2.733806104,2.369713648,0.190491432,0.265213694,0.417750631,0.514636951,0.580327623,0.63655175,11.26601483,16.37253005,19.82344799,22.61468684,24.96513745,26.66918015,124.315523,100.3643456,91.63995167,76.95205999,65.19845983,55.69200714,34,33,33.03225806,34,0,15,3.66,4.3238,0,2.30132251,0,0,0,0,0,0,0,0,0,0.668048377,2.491141646,0,0,0,0,0,0,0.259,1.651,1.731,1.492,0.318,16.185,32,31,30,29,28,27,26,25,24,319,3.526360525,3.496507561,3.465735903,3.433987204,3.401197382,3.36729583,3.33220451,3.295836866,3.258096538,3.218875825,5.768320996,1,0.484848485,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,31,0.939393939,33,1,2,17,33,0.941176471,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.015151515,0.006944444,0.004032258,0.002666667,0.001915709,0.001457726,0.001157407,9.50E-04,8.00E-04,6.89E-04,0.045233617,401.2057142,635.6270286,802.4114283,23.60033613,401.2057142,1.11E-15,3.27E-17,-117.0763326,427.3780274,12.56994198,20.59607437,75.61,537.0796305,6.087462841,4.875197323,5.549076085,6.228511004,6.908754779,7.591357047,8.274102002,8.958154135,9.642187721,10.32708723,135.3544273,4.204692619,0,5.272999559,0,6.456769656,0,7.693937326,0,8.961494323,9.29844282,492.4026041,5.471140046,66.82842712,1.965541974,20.33050967,20.33050967,0,6545,31,5.97,130,1.245426966,2.132577512,2.852933629,3.631643663,4.851548066,5.931089668,7.165046699,8.179054684,9.515878829,10.62224275,97.22464053,92.1547466,104.6302763,135.605726,157.3970561,210.2268918,241.3192696,256.4423974,318.4256346,347.801835,286.7273207,326.1553783,366.2248267,507.2377212,581.5739588,760.7946731,920.2884038,965.1469755,1166.29373,1335.151699,9.631341239,16.43925894,21.4518529,26.51480215,36.07058307,44.82484123,52.14947423,60.92004819,71.62543139,77.65006847,2.000337879,2.479170267,2.917543166,4.080822155,4.671428357,6.084769408,7.520102788,7.796322976,9.405271793,10.9257932,182.0767633,339.4597201,473.472058,579.7626364,807.9983449,979.5587115,1163.524007,1363.154519,1582.102418,1732.698923,3.031070225,4.693296502,6.023616796,6.466924519,9.105508148,12.67575682,12.450897,15.46196858,19.87977041,18.73618299,0.458053389,0.588835789,0.678121763,0.925773567,1.107286228,1.423112409,1.717686293,1.853884598,2.212137989,2.51450056,1198.53913,4057.656324,54.60565965,292.9563538,-991.8042487,-55.34919491,905.5827765,5049.460572,109.9548546,0.803582138,2.720528736,0.036611348,0.196417862,-0.664973015,-0.037109864,1787.615701,6051.976083,81.44409477,436.9430788,-1479.271558,-82.55307426,0.061979702,0.116194164,1.101007714,4.430855251,1355.629628,135.8658565,0.90890629,0.09109371,2511.470069,50.11456942,13.59281279,3062.287985,55.33794345,14.52162921,4556.910135,67.50488971,16.57894235,6.761154189,6.761154189,67877.97359,67776.53592,191.3685823,1.001496649,354.6975829,354.1675185,11.05960308,20.27400491,40.04460214,0.975169796,16.053869,23.94627905,27.67513992,100.4991907,28.35270068,8.715608137,43.12286406,33.67334821,58.53929897,1.006992856,37.02753938,47.0071637,63.47137976,53.76482948,3.872817584,28.78758487,27.03833967,28.29043799,44.62122372,28.07526871,15.46284915,23.21084394,20.91208531,31.67698159,28.91969241,17.06706119,51.41056193,17.62594533,22.86814817,25.29644399,1.367196467,25.59717247,2.784748349,17.88187266,0.203496233,11.16173554,3.725700995,4.760635249,12.69274497,0.026086041,9.81686023,3.029099239,20.29676918,10.37232529,1.933701067,4.175331148,0.927348515,4.983104085,7.676261932,16.41899383,3.33271913,5.885691493,3.16070426,4.910450668,5.160285848,3.401002177,10.68066128,3.057376754,5.876269529,3.435214704,4.294023652,22.5261525,5.536017767,25.30314257,2.090673657,6.589191694,10.46942103,5.044390487,18.58756082,0.121962705,11.37394345,10.23589189,21.03076547,16.72115268,1.473848461,7.485992818,3.802972948,7.162622632,13.30839256,14.06093867,4.556151371,5.183222215,4.950420084,8.904926475,7.289064184,4.901109937,13.09510518,4.516766431,6.836024726,5.677008509,15.37650128,25.59140427,32.59660802,93.86047873,25.26442959,11.60421275,40.94192417,31.63194018,55.21320621,0.910028286,37.6355873,43.73638392,63.26189213,50.62040187,4.144404691,27.59942103,24.57329064,30.52276731,41.89192334,30.17207595,15.12068903,24.41457027,19.74731566,29.6278545,31.20242252,16.51083776,49.62886359,16.85915639,22.89919182,23.78273122,6.26169932,21.35917484,6.27326185,33.03665204,4.531863475,5.571246556,15.30924187,6.96950764,23.49832848,0.218761936,13.37896699,15.69660134,25.1188182,21.73271446,1.441858234,10.1028505,6.505305082,8.415629742,17.69506055,14.86034892,5.63284915,5.572969415,6.677015928,12.05938481,8.518174746,6.221503461,17.01477474,5.913950739,8.100936038,7.816776421,19.56800198,24.98863369,39.17545615,134.4040484,41.33740985,10.59232381,54.45219543,47.74608688,74.96540209,1.407923933,47.49403374,60.01734039,81.12006661,67.94698833,4.907510572,37.17976957,37.15751277,38.39546688,56.2847019,33.76701881,20.17121742,32.46519046,27.71985372,40.26701276,39.39951919,22.07896627,67.76514165,23.11222252,29.69162086,33.71825765,12.01860246,30.76942101,37.65479385,62.29619796,12.30687356,26.74677632,28.37267304,21.81929139,38.58184853,0.489242089,34.72461437,28.31687309,65.15396431,35.38756117,4.80264875,19.86040457,13.81667076,30.9750539,29.06443187,42.71538048,11.72442121,24.99984922,13.51175992,20.32762247,32.13928693,12.4377755,43.45623405,12.18717643,21.35196035,15.90023847,141.9174938,0.795436717,0.495737002,0.990983969,0.005554389,0.558345258,0.700409033,0.599996659,143.2086675,183.6344656,382.8050912,0.986475954,1.858750951,140.3026975,0.297282103,0.091272158,0.997238249,0.002113011,0.545718808,0.097919461,0.020338682,140.6912518,54.54234464,199.0405108,0.995857373,0.663976951,139.6636762,0.503378611,0.256221356,0.994590641,0.003584723,0.540757291,0.280763075,0.160279069,140.4232762,106.2175001,264.6540875,0.991885961,0.981799434,142.211494,0.765666667,0.472269299,0.991370227,0.005337537,0.560661005,0.648958583,0.544534736,143.4494299,176.410324,371.2835524,0.987055341,1.754154324,139.728916,0.604573369,0.337896038,0.993300205,0.004297771,0.54126127,0.404975292,0.278748385,140.6713854,131.8945116,301.1101316,0.989950308,1.224984948,142.3325114,0.827847655,0.52263738,0.99060094,0.005761626,0.561615034,0.758438002,0.666879085,143.6829964,192.6505908,397.9157594,0.985901411,1.986932121,142.8168231,0.775636911,0.480140094,0.991283721,0.005383653,0.565443615,0.665817929,0.562836311,144.0726001,179.7184967,376.9781353,0.986925581,1.794097855 +UMLCP0038,L,CCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO,C15E8,66,0,-5.1886,26.92156996,139.3743,104.452752,0,0,104,40,64,0,31,0,9,0,0,0,0,0,0,0,6840.927856,7219.472011,7967.820114,7962.308569,7465.801796,7440.318379,7328.472994,6863.949981,6818.322692,17065.90059,21774.19384,28180.77895,29407.8459,29260.65812,28466.87875,26893.04378,26649.41272,25862.19032,783.903136,794.349364,1513.242768,1880.216812,1735.283216,1956.440044,1724.646328,1589.95134,1774.820168,120.6999619,154.8126395,214.4090053,239.4254814,243.7681866,233.5276201,218.2201237,221.0011476,211.2972348,17434.41634,15228.2172,31449.09528,41664.42408,39120.53448,44425.14412,38177.24291,35767.1592,40203.85132,269.5,245.25,434,521.75,402.5,486.25,481,373.75,445.5,65.77815246,70.09196127,40.86061597,31.97714285,31.10750748,28.29018395,32.14242541,31.34223736,28.64841467,164.095198,211.3999402,144.5168151,118.1037988,121.9194088,108.2390827,117.9519464,121.6868161,108.6646652,7.537530154,7.712129748,7.760219323,7.551071534,7.230346733,7.438935529,7.564238281,7.260051781,7.457227597,1.160576557,1.503035335,1.09953336,0.961548118,1.015700778,0.887937719,0.957105806,1.00913766,0.887803508,167.6386187,147.8467689,161.2774117,167.3270043,163.002227,168.9168978,167.4440478,163.3203616,168.923745,2.591346154,2.381067961,2.225641026,2.095381526,1.677083333,1.848859316,2.109649123,1.706621005,1.871848739,1.588684899,-0.353151328,-0.954452377,0.777846115,-0.060705106,-0.655570346,0.684738552,-0.0595224,-0.563336095,3596.891776,145.4676658,-1571.567997,-131.9727504,273.5748604,306.4432808,-134.3516328,214.0872044,236.171418,4849.322984,-521.4001496,-1758.952612,261.0316626,-915.5822742,708.0276522,228.3897567,-790.2163331,599.0401065,8.910732154,-0.007770652,-3.644486327,4.080355824,1.281651799,-1.849134735,3.36104797,0.886290407,-1.819942429,21.32193168,-5.018339208,-6.321367139,5.783965821,-8.00861707,2.274432809,5.032921482,-6.92737083,1.890591333,119.2070485,-32.04812656,-33.23478344,41.62584057,-49.85218617,9.838359048,36.11987563,-43.24226602,7.957890525,67.33653846,-0.684264053,-24.87620192,21.44905695,10.18491124,-10.53855399,17.95451183,7.53651997,-10.65477071,0.015275816,-0.003428654,-0.004894628,0.00312388,-2.53E-04,-0.002492663,0.003003239,-2.72E-04,-0.002366958,34.58549784,1.412307435,-8.05932306,-0.530011046,1.139895251,1.165183577,-0.589261547,0.977567143,0.992316883,46.62810561,-5.062137375,-9.020269803,1.04831993,-3.814926143,2.692120351,1.001709459,-3.608293758,2.516975237,0.085680117,-7.54E-05,-0.018689673,0.016386971,0.005340216,-0.007030931,0.014741438,0.004046988,-0.007646817,0.205018574,-0.04872174,-0.032417267,0.023228778,-0.033369238,0.008648033,0.022074217,-0.03163183,0.007943661,1.14622162,-0.31114686,-0.170434787,0.16717205,-0.207717442,0.037408209,0.158420507,-0.19745327,0.033436515,0.647466716,-0.00664334,-0.127570266,0.086140791,0.04243713,-0.040070548,0.078747859,0.034413333,-0.044767944,-0.224449783,-0.32041676,0.204498399,-0.016558064,-0.163177067,0.196600902,-0.017792292,-0.154948078,0.04083525,-0.233026082,-0.015324661,0.032958764,0.033689947,-0.017037822,0.028265233,0.028691704,-0.10856408,-0.193451346,0.022482576,-0.081816023,0.057736001,0.021482954,-0.077384524,0.053979788,-8.81E-04,-0.218133146,0.191257573,0.062327364,-0.082060235,0.172052035,0.047233691,-0.089248442,-0.237645492,-0.158118685,0.113300849,-0.162762023,0.042181707,0.107669352,-0.154287632,0.038746056,-0.271454363,-0.148692699,0.145846185,-0.181219268,0.032636105,0.138211062,-0.172264478,0.029171073,-0.010260512,-0.197029844,0.13304281,0.065543339,-0.061888197,0.121624567,0.053150737,-0.069143236,1.24132862,1.690795608,0.904345022,0.565433966,1.166076977,0.943825321,0.626851544,1.192335066,1.129066372,1.380917922,1.038963513,0.871550469,0.945812326,1.046609606,0.888487554,0.958900374,1.531358277,1.289888255,0.948237838,1.161164916,0.875524873,0.945516429,1.147926103,0.878142325,0.93358434,1.615221233,0.956543805,0.463685007,1.125740356,1.003557185,0.538408291,1.164585238,1.787624593,1.28828689,0.852915257,1.266405722,0.873995765,0.853773736,1.246737233,0.87607491,1.840992775,1.299471641,0.825397851,1.272134001,0.882511215,0.829082219,1.253739772,0.885730794,0.946737113,1.406083107,0.870783434,0.411088105,0.988734323,0.915765424,0.469715197,1.033143059,978.8070828,490.5285414,773.4695006,980.9445828,24.52361457,490.5285414,2.25,0.140061131,0.003501528,-7.86270522,667.6700627,16.69175157,26.01517653,979.1939211,490.7186556,773.7788424,981.3251418,24.53312854,490.7186556,2.243390212,0.139581009,0.003489525,-7.876440555,669.157405,16.72893512,26.02407727,1323.076569,659.7428092,1052.741602,1319.665166,32.99162915,659.7428092,-3.590950303,0.153569606,0.00383924,-7.494405425,543.9714712,13.59928678,25.19558721,979.5999188,490.918186,774.1035216,981.7245494,24.54311373,490.918186,2.236453202,0.139077613,0.00347694,-7.890892529,670.7592079,16.7689802,26.03364087,1688.737632,839.4984921,1353.415039,1679.484017,41.98710041,709.7827129,-9.740648379,0.310122612,0.007753065,-4.683150149,1024.979531,25.62448828,27.72971169,1019.337048,510.4476277,805.9581374,1020.817345,25.52043362,510.4476277,1.558207673,0.092210742,0.002305269,-9.534714585,858.400108,21.4600027,27.02028127,827.2496403,415.4424376,653.3073502,830.6248138,20.76562034,415.4424376,5.201228879,0.400821907,0.010020548,-3.656952292,620.9179468,15.52294867,25.72479577,0,11.99611121,16.003516,-0.418426787,0.09547281,3.719658398,7.618941068,39,103,103,103,39,0,0,0,0,0,85.293248,3.549581987,3.498068239,3.481890992,3.450561509,3.403972549,3.352819544,3.296181286,3.223463441,1.950985449,1.887894796,1.789246187,1.736086718,1.713416652,1.681456651,1.652673843,1.615927627,3.572895426,3.492029112,3.382535756,3.368161119,3.338210274,3.289040188,3.228061586,3.17219086,1.893641718,1.832178322,1.769905889,1.750001937,1.727266263,1.689970203,1.639346679,1.590485445,3.697028862,3.633010731,3.60817458,3.577717518,3.538023814,3.49785469,3.443424274,3.376907872,1.718493145,1.643800437,1.529947582,1.504477417,1.474908774,1.431125902,1.382319495,1.340285827,3.592870081,3.511021865,3.385317933,3.354912423,3.32317906,3.275977807,3.223057076,3.17733042,1.857720271,1.801845485,1.780995236,1.753311515,1.717502104,1.681497806,1.632498137,1.573497909,3.75458726,3.68734491,3.633132214,3.607719273,3.578730805,3.540585612,3.484660215,3.425691144,1.66398375,1.587684891,1.480506216,1.467770654,1.438075699,1.391376053,1.334811986,1.28456672,4.583525004,3.869907701,3.835426189,3.779378116,3.704585384,3.63354361,3.605677417,3.540944842,1.790724318,1.711358218,1.586736164,1.467986776,1.447776748,1.427037595,1.396321081,1.349241731,0,0,0,0,0,18,13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,28.87005769,19.91421356,13.72792206,9.457106781,6.51040764,4.478553391,3.078427125,2.114276695,0.721751442,0.510620861,0.361261107,0.255597481,0.180844657,0.127958668,0.090541974,0.064068991,25.92640335,16.1421367,9.86522697,6.231912461,3.927895313,2.438926593,1.547837601,0.979155247,0.648160084,0.413900941,0.259611236,0.168430067,0.109108203,0.069683617,0.045524635,0.029671371,54.77168166,103.3867444,98.35686275,99.92,60.8758994,803.5521569,0.526650785,0.994103311,0.945739065,0.960769231,0.585345187,7.726463047,5.2027,159.3328,555.454978,879.8494838,1110.909956,27.7727489,555.454978,3.33E-16,8.33E-18,-142.5527531,564.597233,14.11493082,25.34445046,2282,1,0,9,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,31,0,0,0,0,0,0,0,0,0,0,0,1,0,30,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.688923809,0,52.02587746,0,0,3.504561897,0,0,3.670050559,0,0,3.726469554,0,0.688923809,0,0,0,0,0,0,0,0,0,0,0,0,0,14.57781325,0,0,0,0,0,0,0,0,0,0,0,2.278801374,0,26.69532117,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.57244979,0,43.45342767,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.688923809,0,5.087009409,0,0,3.504561897,0,0,3.670050559,0,0,3.726469554,0,0.688923809,0,0,0,0,0,0,0,0,0,0,0,0,0,0.214879054,0,0,0,0,0,0,0,0,0,0,0,2.278801374,0,0.035244146,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.57244979,0,5.087009409,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.688923809,0,8.57244979,0,0,3.504561897,0,0,3.670050559,0,0,3.726469554,0,0.688923809,0,0,0,0,0,0,0,0,0,0,0,0,0,0.677170516,0,0,0,0,0,0,0,0,0,0,0,2.278801374,0,1.432767537,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.57244979,0,5.655851205,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,81,2.025,0.688923809,8.57244979,-0.080902165,0.035244146,13.851587,1.464755854,2.57244979,36.60935767,1.464755854,2.57244979,36.60935767,18.49997,0.4625,0,0.0375,0.52019,0.8725,0.43115,0.52019,0.85854,0.08905,0,-0.08905,0.01396,0.53008,0.18421,0,0.04504,0,0,23.75,0.59375,23.75,0.59375,0,0,-23.75,-0.59375,0,0,52.17565,1.30439,67.33494,15.15929,0.37898,15.54621,0.38866,19.91421,4.368,0.1092,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,39.09,9,9,9,9,1,1,1,1.25708,1.718120297,2.656236223,3.223969724,3.611054222,3.947179629,130.7363201,178.6845109,276.2485672,335.2928513,375.5496391,410.5066814,0.187611568,0.256419037,0.39642715,0.481157933,0.538927947,0.589092626,5.443359718,4.982319421,4.044203495,3.476469994,3.089385496,2.75326009,0.188002677,0.256953587,0.397253573,0.482160992,0.540051438,0.590320694,11.56744235,16.48845864,19.64666955,22.20100114,24.38444008,26.00440077,146.4001357,119.5986044,110.9889043,95.88662915,83.53395029,73.30206895,40,39,39.02702703,40,0,15,3.88,5.0048,0,2.275483886,0,0,0,0,0,0,0,0,0,0.708400186,3.74686121,0,0,0,0,0,0,0.259,2.073,2.183,1.862,0.346,18.901,38,37,36,35,34,33,32,31,30,385,3.688879454,3.663561646,3.63758616,3.610917913,3.583518938,3.555348061,3.526360525,3.496507561,3.465735903,3.433987204,5.955837369,1,0.487179487,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,37,0.948717949,39,1,2,20,39,0.95,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.012820513,0.005847953,0.003378378,0.002222222,0.001587302,0.00120048,9.47E-04,7.72E-04,6.45E-04,5.51E-04,0.037967238,555.454978,879.8494838,1110.909956,27.7727489,555.454978,3.33E-16,8.33E-18,-142.5527531,564.597233,14.11493082,25.34445046,94.07,623.8440224,6.321928095,5.043425117,5.720311777,6.401917197,7.084226422,7.768533301,8.452974619,9.138522084,9.824065486,10.51034128,148.9443173,4.369447852,0,5.442417711,0,6.629363253,0,7.869019376,0,9.138736953,9.474779406,580.4550336,5.5812984,78.82842712,1.970710678,26.33050936,26.33050936,0,10660,37,5.59,154,1.239354388,2.125304974,2.864663978,3.690951027,4.889804321,5.985508565,7.249552038,8.245203341,9.601192954,10.74576668,100.1987634,96.08217898,111.5783939,144.5049133,164.9548498,225.3323849,257.9681678,269.1103492,343.0705586,373.4541595,286.1955516,327.1364662,375.8421446,522.7217821,587.0366951,782.3496673,949.7206532,973.4822686,1201.971484,1382.437386,9.665574354,16.57783461,21.78055544,27.07914593,36.69466933,45.79025981,52.99949521,61.99501445,73.19934651,78.84731358,1.97103291,2.44330454,2.949416338,4.160229195,4.643653289,6.159774931,7.671289573,7.741014936,9.53114027,11.18207128,181.587754,339.6889202,475.4855803,588.2007712,817.2321862,989.8005736,1173.750379,1379.461229,1598.254072,1745.976541,3.104281978,4.860408536,6.339585307,6.729788533,9.489256009,13.43669587,12.88773731,16.10521906,21.13106863,19.33681866,0.45808359,0.590758951,0.693021533,0.95250615,1.11967877,1.458468434,1.76667696,1.873628494,2.270181209,2.591897284,1250.348836,5173.239949,59.41671344,207.5482633,-858.7179318,-54.42596222,1042.800573,6031.95788,113.8426757,0.857638606,3.548425982,0.04075508,0.142361394,-0.589011345,-0.037331827,1822.879942,7542.051517,86.62345421,302.5840111,-1251.922382,-79.34745248,0.050715545,0.0950771,1.174662521,3.446886662,1304.330594,153.5665058,0.894665744,0.105334256,2985.555232,54.64023455,14.39931072,3631.275874,60.26006865,15.37044406,5432.789768,73.70746074,17.57954512,7.132212348,7.132212348,112342.7989,112225.6182,216.2823438,1.001044153,519.4265835,518.8847883,12.2983069,24.20846055,47.99930454,0.982749148,25.70279485,30.69800698,28.94784268,111.2732501,62.24344357,2.912042906,74.11887462,29.26958881,81.83871548,0.303760213,25.81223131,57.94952405,13.91883508,62.1640732,0.001448368,69.81866889,30.58718275,71.71028525,51.71667708,0.178944816,50.62370747,17.99498772,63.76433491,38.51806963,11.05162599,24.7239631,10.17129043,25.12788796,23.35562291,52.53315988,2.182464351,33.80151926,2.97190523,23.07827219,0.440652988,3.179312897,6.946380714,0.303593142,14.7307545,0.00214029,27.04342715,3.30671302,5.95343617,11.08484831,3.09E-04,11.90481445,1.001831437,26.30004254,8.424128876,0.233691396,4.879074793,0.302791154,11.00285134,5.708523866,9.460305675,4.402039933,0.168554675,4.552517233,3.251712596,18.29493195,6.892796325,27.98966348,6.269081412,27.43332699,4.574114743,1.683212431,20.27614549,2.212449248,23.02645429,0.022296542,18.46023094,11.49756407,4.901995355,18.10967378,2.52E-04,19.04673257,4.225764357,25.05484835,14.65508571,0.141994853,8.852396757,1.762307977,16.17664469,10.33867378,7.448752692,6.282792785,0.894320131,6.43170096,6.00499355,19.18356698,24.54592402,33.80978235,33.5366387,105.3768974,55.45940205,3.870278898,70.6295,26.11292401,79.46252062,0.270645487,30.82674115,53.62899649,14.08010265,58.48939384,0.001389056,74.31208802,27.78401145,76.85513863,48.54695625,0.234976343,47.17373126,16.15096681,64.67049216,36.01967439,12.57940806,23.91964877,9.105755427,24.37795007,21.81199096,57.47982659,10.07332169,25.78249683,7.381357356,34.23973143,9.930014325,1.420611357,29.34782684,4.713305194,29.43934287,0.048428903,15.30920149,17.98161001,5.341842693,23.80124489,3.05E-04,23.1856002,7.273756755,26.28990355,19.62104107,0.121763487,13.01570745,3.403068832,20.23473666,14.08102753,6.757611989,8.07906827,1.786121007,8.250906422,8.263180533,20.30499047,31.27040239,32.68108808,40.04106535,151.3349737,90.7688798,3.684554395,90.19257242,42.6448045,107.041619,0.443002853,30.25675956,75.42507954,18.51416169,79.60251364,0.002055431,91.89657459,42.1122525,93.19806165,66.00732088,0.213023728,69.6841548,25.68818425,84.85764915,49.49667761,12.89061634,32.78140153,14.67710939,33.21923329,30.2202559,67.83237132,18.82612102,43.55303908,37.80078905,75.08421145,27.08525527,8.529390393,50.37055874,12.878524,60.86411005,0.132150039,45.51501163,33.77435502,15.38056918,40.48989906,0.001046404,72.58622973,15.66621024,81.1125234,33.47942424,0.499638612,29.90668123,8.360381278,57.21510571,24.57756929,16.32783334,17.86350633,4.635288271,18.49299344,14.98185885,63.62628399,202.2888846,0.78711368,0.472450098,0.993811971,0.00386696,0.562975539,0.71290135,0.603115315,203.5484484,255.1676236,533.941631,0.990717956,1.878992204,196.6867655,0.287240996,0.085362854,0.99810918,0.001457637,0.532230798,0.095284875,0.019736989,197.0593693,73.31076575,275.1928378,0.99716377,0.647252661,198.7954389,0.495479392,0.243129789,0.99629833,0.002483182,0.543701757,0.283238303,0.160017882,199.5340481,146.9526019,370.4347015,0.994447495,0.986957942,201.9958218,0.754970393,0.448617558,0.994076814,0.003715416,0.561345667,0.655969062,0.543922226,203.1994098,243.4584304,515.0724059,0.991115221,1.761236955,199.9057888,0.598727752,0.322342005,0.995413613,0.002981313,0.549791229,0.413312844,0.281112528,200.8268586,184.3201716,423.7278688,0.993120419,1.244216601,202.698656,0.818883836,0.497890553,0.993545712,0.004013833,0.565258387,0.771301154,0.669659893,204.0154304,267.3161134,553.9747303,0.990318568,2.006219435,203.0582872,0.76624838,0.456951772,0.994012183,0.003750944,0.567266122,0.675463518,0.56429035,204.2814874,248.7310665,524.1110892,0.991018275,1.807019991 +UMLCP0039,L,CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO,C16E6,35.5,0,-5.2148,27.19413904,120.1989,93.567994,0,0,93,35,58,0,28,0,7,0,0,0,0,0,0,0,5890.103107,6233.909406,6874.407557,6836.07166,6403.532407,6337.761246,6202.236085,5801.680592,5715.765559,15176.06586,19451.33923,25338.0373,26465.12316,26125.04884,25344.3834,23950.32103,23513.80344,22739.69497,694.267372,703.96752,1341.171452,1699.778104,1575.321724,1723.902552,1544.20762,1429.989848,1542.282676,108.3791765,139.9851137,196.1965854,219.2616007,220.4809433,211.3136841,198.056243,197.7139043,189.0832988,15573.62479,13569.31424,28060.21025,38079.50343,35803.22563,39372.00022,34592.32225,32449.85035,35150.70742,232.25,213,373.75,452.5,357.25,417,411.75,328.5,376.25,63.33444201,67.75988485,39.2823289,29.98277044,29.239874,27.08444977,29.96249316,29.30141713,27.34816057,163.1835039,211.4276003,144.7887846,116.0751016,119.2924604,108.3093308,115.702034,118.756583,108.8023683,7.465240559,7.65182087,7.663836869,7.455167123,7.193249881,7.367104923,7.459940193,7.222170949,7.379342947,1.165367489,1.521577322,1.121123345,0.961673687,1.006762298,0.903049932,0.956793444,0.998555072,0.904704779,167.4583311,147.4925461,160.3440586,167.0153659,163.4850485,168.2564112,167.1126679,163.8881331,168.185203,2.497311828,2.315217391,2.135714286,1.984649123,1.631278539,1.782051282,1.989130435,1.659090909,1.800239234,1.262729089,-0.290099281,-0.730766395,0.591033945,-0.058361136,-0.471102146,0.497926382,-0.05717843,-0.378867893,3128.697029,96.24371156,-1371.563248,-58.68078868,221.6960111,220.0076837,-60.87360466,164.5631349,154.8260315,4368.155347,-410.5647523,-1684.364515,201.6499375,-650.5413071,484.6384743,168.8553915,-526.6887371,377.9251598,7.07542357,0.035455135,-2.54270147,3.342522689,0.95767826,-1.157265757,2.627337473,0.608231539,-1.111794818,19.24221722,-3.805133612,-6.23299008,4.326877352,-5.831431278,1.56832261,3.576375257,-4.74448956,1.181324976,107.1826168,-24.15800341,-32.66928949,31.22715176,-36.41782737,6.869242444,25.72830761,-29.73258591,4.955463812,57.4516129,-0.694068678,-18.45733611,18.69927159,7.98491155,-6.894380853,15.2528616,5.570759625,-6.891259105,0.013577732,-0.003153253,-0.004175808,0.002592254,-2.66E-04,-0.002013257,0.002405441,-2.89E-04,-0.001812765,33.64190354,1.0461273,-7.837504276,-0.25737188,1.012310553,0.940203777,-0.294075385,0.831126944,0.740794409,46.96941233,-4.462660352,-9.624940085,0.88442955,-2.970508252,2.071104591,0.815726529,-2.660044127,1.808254353,0.076079823,3.85E-04,-0.014529723,0.014660187,0.00437296,-0.00494558,0.012692452,0.003071876,-0.005319592,0.206905561,-0.041360148,-0.035617086,0.018977532,-0.02662754,0.006702233,0.017277175,-0.023962068,0.005652273,1.152501255,-0.262586994,-0.186681654,0.136961192,-0.166291449,0.029355737,0.124291341,-0.150164575,0.023710353,0.617759279,-0.007544225,-0.105470492,0.082014349,0.036460783,-0.029463166,0.073685322,0.02813515,-0.032972532,-0.232237094,-0.307548266,0.190919523,-0.01962693,-0.148276385,0.177160768,-0.021268644,-0.133510149,0.03109596,-0.232968514,-0.007650336,0.030090763,0.027947401,-0.008741342,0.02470511,0.022019991,-0.095012054,-0.204919321,0.018829905,-0.063243462,0.044094752,0.017367186,-0.056633541,0.038498552,0.005065494,-0.190979974,0.192694812,0.057478578,-0.065005148,0.166830718,0.040377019,-0.069921199,-0.199898677,-0.172141754,0.091720745,-0.128694173,0.032392717,0.08350271,-0.115811621,0.027318128,-0.227840961,-0.161979567,0.118838215,-0.144287434,0.025471328,0.107844864,-0.1302945,0.020572952,-0.01221224,-0.170730729,0.132761015,0.059021021,-0.047693603,0.119278373,0.045543872,-0.053374401,1.250496023,1.641601909,0.872275249,0.567518764,1.117108339,0.906534156,0.636656827,1.127589307,1.171773169,1.383003814,1.017981297,0.878981333,0.9442039,1.021668819,0.896522652,0.956276353,1.529655144,1.32256845,0.954443762,1.12528128,0.898987512,0.95290975,1.107990909,0.905630033,0.932642963,1.56336033,0.915129342,0.465261615,1.078330484,0.957058305,0.552257481,1.105600999,1.74561425,1.32263523,0.878175485,1.208876354,0.898825496,0.882561581,1.18262117,0.905211325,1.790781122,1.33027112,0.854312063,1.212793318,0.904449942,0.861828673,1.18717782,0.91141209,0.957327344,1.333693752,0.816476551,0.402164912,0.934119409,0.858693618,0.467059704,0.974983142,764.2672704,383.0086352,605.6364841,765.9172704,21.88335058,383.0086352,1.75,0.151142121,0.004318346,-6.613371409,1070.076022,30.57360064,24.41419741,764.5191334,383.1319962,605.8328974,766.1642862,21.89040818,383.1319962,1.744859054,0.150644083,0.004304117,-6.624923509,1006.922232,28.76920662,24.20128782,988.8947742,493.0509064,785.3879201,986.2614106,28.17889745,493.0509064,-2.792961346,0.178783828,0.005108109,-6.025522537,562.2606578,16.06459022,22.16187941,764.7834723,383.2614679,606.0390568,766.423538,21.89781537,383.2614679,1.739463602,0.150121756,0.004289193,-6.637080124,954.8699901,27.28199972,24.01551318,1228.264633,610.3442867,982.3265638,1221.121491,34.88918546,610.3442867,-7.57605985,0.373109332,0.010660267,-3.450593254,503.0134763,14.37181361,21.77215937,790.6630043,395.9374718,626.3035756,791.8056899,22.62301971,395.9374718,1.211939301,0.100827221,0.002880778,-8.030214174,481.7264601,13.76361315,21.62081755,669.4246268,336.1391692,533.2973353,672.0460742,19.2013164,336.1391692,4.06462585,0.401745809,0.011478452,-3.191774972,461.0537101,13.17296315,21.4673009,0,11.99611932,16.0016774,-0.418406883,0.093979146,3.719661038,7.626304287,34,92,92,92,34,0,0,0,0,0,74.902006,3.551838976,3.499321342,3.476920139,3.430015433,3.376012723,3.313378641,3.231125247,3.151591841,1.953231893,1.896557124,1.806987901,1.731994273,1.703811842,1.677582915,1.628724281,1.566431619,3.575825672,3.503181131,3.394025836,3.366942128,3.316144598,3.251144658,3.196261,3.112489194,1.895809529,1.840253384,1.768404622,1.750640923,1.712544142,1.656506402,1.608375758,1.544721165,3.699356094,3.640526412,3.602210846,3.562512516,3.521952018,3.460332535,3.389311271,3.320865265,1.721188999,1.654141584,1.549512619,1.498876569,1.455648994,1.408691927,1.360099134,1.280943092,3.595847233,3.522478088,3.407353342,3.348831391,3.302421304,3.252014659,3.199035104,3.112435734,1.859727874,1.808217408,1.775601549,1.739581869,1.703153083,1.648011495,1.585405295,1.524575911,3.75698591,3.696117753,3.629171769,3.603384106,3.565286399,3.502233342,3.443298028,3.375540968,1.666736302,1.598167676,1.494175672,1.464852547,1.417021121,1.357677753,1.307134422,1.227146635,4.579717575,3.860742261,3.804697112,3.716160157,3.63347295,3.598680884,3.541088516,3.456615252,1.794759176,1.723919644,1.611759122,1.474257874,1.458323591,1.418756803,1.360737212,1.301650406,0,0,0,0,0,14,14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,25.33452378,17.41421356,11.96015511,8.207106781,5.626524164,3.853553391,2.636485387,1.801776695,0.723843537,0.512182752,0.362428943,0.256472087,0.181500779,0.12845178,0.090913289,0.064349168,22.98858643,14.48743616,8.99403549,5.737895525,3.664845603,2.313926593,1.484354127,0.951876058,0.656816755,0.426101064,0.27254653,0.179309235,0.118220826,0.077130886,0.051184625,0.033995574,48.71660004,92.06190823,87.48235294,88.84,54.51975689,718.1583497,0.523834409,0.989912992,0.940670462,0.955268817,0.586233945,7.722132792,5.5596,142.3118,425.1768832,673.5805169,850.3537664,24.2958219,425.1768832,1.19E-15,3.41E-17,-120.2666319,2000286.973,57151.05637,50.78080425,1734,1,0,7,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,28,0,0,0,0,0,0,0,0,0,0,0,1,0,27,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.688734741,0,41.02973298,0,0,3.504527085,0,0,3.671362666,0,0,3.73057894,0,0.688734741,0,0,0,0,0,0,0,0,0,0,0,0,0,11.97886287,0,0,0,0,0,0,0,0,0,0,0,2.281719028,0,26.18854799,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.564039642,0,32.46569334,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.688734741,0,5.088355321,0,0,3.504527085,0,0,3.671362666,0,0,3.73057894,0,0.688734741,0,0,0,0,0,0,0,0,0,0,0,0,0,0.212311806,0,0,0,0,0,0,0,0,0,0,0,2.281719028,0,0.043147721,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.564039642,0,5.088355321,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.688734741,0,8.564039642,0,0,3.504527085,0,0,3.671362666,0,0,3.73057894,0,0.688734741,0,0,0,0,0,0,0,0,0,0,0,0,0,0.665124031,0,0,0,0,0,0,0,0,0,0,0,2.281719028,0,1.44140964,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.564039642,0,5.643281346,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,69.5,1.985714286,0.688734741,8.564039642,-0.075968329,0.043147721,13.60858275,1.456852279,2.564039642,28.62290402,1.456852279,2.564039642,28.62290402,16.33331,0.46667,0,0.03333,0.50824,0.85333,0.43084,0.50824,0.83796,0.0774,0,-0.0774,0.01537,0.54687,0.16742,0,0.05102,0,0,20.25,0.57857,20.25,0.57857,0,0,-20.25,-0.57857,0,0,45.51839,1.30053,56.77702,11.25862,0.32167,14.05365,0.40153,17.41421,3.36057,0.09602,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,34.07,7,7,7,7,1,1,1,1.22711236,1.706973961,2.688026222,3.303140687,3.724417125,4.088928769,114.1214494,158.7485784,249.9864386,307.1920839,346.3707926,380.2703755,0.187655996,0.261038768,0.411066056,0.505132355,0.569555998,0.625298893,5.312046451,4.83218485,3.851132589,3.236018124,2.814741686,2.450230042,0.188104653,0.261662873,0.412048853,0.50634005,0.570917721,0.626793889,11.17777168,16.25259444,19.64487332,22.38668165,24.71134669,26.42567616,127.9651053,103.4690944,94.91870331,80.09739328,68.11330418,58.20952898,35,34,34,35,0,16,3.77,4.4647,0,2.320339608,0,0,0,0,0,0,0,0,0,0.668048377,2.491141646,0,0,0,0,0,0,0.259,1.651,1.731,1.492,0.318,16.684,33,32,31,30,29,28,27,26,25,330,3.555348061,3.526360525,3.496507561,3.465735903,3.433987204,3.401197382,3.36729583,3.33220451,3.295836866,3.258096538,5.802118375,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,32,0.941176471,34,1,2,17,34,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.014705882,0.006734007,0.00390625,0.002580645,0.001851852,0.00140746,0.001116071,9.14E-04,7.69E-04,6.61E-04,0.043843582,425.1768832,673.5805169,850.3537664,24.2958219,425.1768832,1.19E-15,3.41E-17,-120.2666319,2000286.973,57151.05637,50.78080425,75.61,554.3756151,6.129283017,4.905274778,5.579729826,6.259581464,6.940222469,7.623153068,8.306225216,8.990566138,9.674891664,10.3600576,137.6397022,4.234106505,0,5.303304908,0,6.487684018,0,7.725330038,0,8.993303139,9.330077054,506.4182542,5.445357572,68.82842712,1.966526489,20.33051989,20.33051989,0,7140,32,6.539,134,1.237665061,2.126480285,2.86407562,3.674968937,4.900182752,5.978745417,7.254400873,8.274776139,9.614061393,10.75908193,97.04438915,92.59077443,104.7563998,136.0710691,158.2909372,210.6052505,241.7994004,257.7323705,318.6038725,348.0567432,286.4936224,328.2825571,369.2724,511.6001612,588.6723464,768.3178373,929.080884,978.0072122,1178.958496,1348.769496,9.567100056,16.3762225,21.48710673,26.80069117,36.38887314,45.06831792,52.72449927,61.51511788,72.15352668,78.49651204,1.998200089,2.495222166,2.947969436,4.123925535,4.736979528,6.162021083,7.611814167,7.922222266,9.541322116,11.07380467,180.7711041,337.8089201,474.4934703,587.0067581,815.5266605,986.1105149,1178.299453,1377.904304,1596.563849,1755.016929,3.006260758,4.66445968,5.987734034,6.503848152,9.145716635,12.63132653,12.50960914,15.50881917,19.81189503,18.78916668,0.456715951,0.590616512,0.682581173,0.934003587,1.119414459,1.435542774,1.734419859,1.876251627,2.234121278,2.540013466,1138.227391,3914.006525,52.36862075,194.5602402,-669.0315624,-47.2793388,943.6671507,4583.038087,99.64795955,0.854020074,2.936706819,0.039292547,0.145979926,-0.50197912,-0.035474023,1517.015388,5216.539485,69.79624999,259.3074817,-891.6769912,-63.01331796,0.061021097,0.114397055,1.406607942,4.069114904,1199.238462,133.5491692,0.899797112,0.100202888,2543.760504,50.43570664,13.65082,3129.589306,55.94273238,14.6272421,4588.274273,67.73680146,16.61689173,10.33553687,10.33553687,76186.59504,76083.37402,192.796624,1.001356683,395.1656075,394.6302194,11.34775232,21.41248166,42.13112048,0.967596337,23.33571935,27.51786789,23.97359829,105.9816512,59.10079596,2.34961379,59.53171726,22.78917446,79.59183708,0.314824109,19.28297598,59.51911933,10.35891211,67.78152915,0.001385731,51.98387523,33.29588155,49.57320953,58.61983984,0.111488815,40.16463494,20.54864113,48.40906178,45.60227661,6.658617088,24.37568654,11.90706448,24.22106354,30.53984696,31.89428682,1.983814987,29.88913589,2.428278654,21.88279164,0.418610995,2.334820957,5.786883367,0.232287615,15.33900626,0.002218227,19.82343939,3.568999414,4.119509121,12.18533626,2.08E-04,9.538736615,1.073234214,18.10856285,9.44076016,0.141986589,4.762561529,0.327810316,8.766823235,6.600451954,5.63199933,4.466438048,0.156453982,4.556224932,4.092564591,11.55783978,6.251514411,25.44121901,5.278886818,26.28691485,4.343701381,1.297531543,16.41456173,1.723941586,23.34637513,0.023108605,13.61354892,12.25158418,3.494066482,19.97432875,1.98E-04,14.61966993,4.558304865,17.30427519,16.57912881,0.090510117,7.927304567,1.967960652,12.57348248,12.12976144,4.4691851,6.313293685,1.007299567,6.360613247,7.731584368,12.0530167,22.31163103,29.89906542,27.4133102,99.65854931,52.65941699,3.028037735,56.87826493,20.33065214,76.78709849,0.280503228,22.89871367,55.19757273,10.3701146,63.77245525,0.001299953,55.07386024,30.23310692,52.92654048,54.98017116,0.142956924,37.81518135,18.43109033,48.88214874,42.58710626,7.54560298,23.63044785,10.64546472,23.57115438,28.44360738,34.62504106,9.128180208,23.75228312,6.349846275,32.92735109,9.429298912,1.136820749,23.61978477,3.673349164,29.65267561,0.050192778,11.35812376,19.00655479,3.871950331,26.23760722,2.70E-04,17.67851473,7.867886328,18.22167761,22.25624796,0.079159659,11.14803081,3.832347883,15.66753236,16.59906258,4.077339918,8.070663153,2.052117573,8.093822608,10.72268191,12.78342563,28.41184282,29.03751708,32.87157756,144.3042038,86.18531682,2.954408768,72.49546864,33.19889517,103.4645286,0.459138461,22.64878931,76.90596708,13.82832775,86.51472409,0.001983188,68.14687117,45.89313359,64.40433873,74.74927487,0.130701509,54.64814025,29.38924112,64.19123467,58.61075658,7.758246438,32.24036615,17.21359382,31.91618864,39.54529797,40.84728939,17.24204707,37.47200859,30.50518328,68.97424953,25.65979974,6.384458483,40.8361595,10.0013344,57.91767938,0.136651606,33.73581474,35.07726672,10.89290933,44.0522639,8.77E-04,54.0198329,16.95279528,55.89893815,37.62718315,0.294246565,25.13362765,9.47093679,43.46381703,28.69961782,9.794880594,17.75648667,5.340419642,18.0544235,19.07954898,39.06260983,154.0707457,0.794162152,0.477461073,0.991814061,0.005112335,0.554643157,0.72134652,0.609479993,155.342369,196.2991201,410.0622676,0.987721091,1.88546967,153.1499413,0.29221634,0.088444203,0.997520621,0.00190331,0.548036435,0.097816514,0.02097927,153.5306019,58.32398473,215.8127225,0.996280932,0.66683222,151.7746566,0.500871955,0.247056393,0.995096278,0.00328392,0.538236338,0.287211991,0.163574123,152.522585,113.6403119,284.9440421,0.992644417,0.989022451,154.541449,0.764317399,0.45530026,0.992169945,0.004906986,0.558037468,0.668174874,0.554374893,155.7610666,188.8294741,398.3700239,0.988254918,1.780587234,151.6108745,0.602638638,0.32528744,0.993916787,0.003950724,0.537074729,0.415650254,0.28336168,152.5388006,140.8797149,323.1389134,0.99087518,1.236086662,154.5471017,0.826743023,0.503448924,0.991466416,0.005303807,0.558078046,0.781649115,0.677425715,155.8772937,205.993533,426.1968672,0.987199624,2.017152876,155.1165475,0.77439547,0.462714091,0.992087748,0.004952845,0.562198443,0.685872676,0.57253911,156.353657,192.2544876,404.1900792,0.988131622,1.820610229 +UMLCP0040,L,CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO,C16E7,54,0,-5.3457,28.57650849,131.2424,100.557166,0,0,100,38,62,0,30,0,8,0,0,0,0,0,0,0,6438.663606,6810.929857,7517.968104,7497.568479,7033.045466,6987.418177,6863.732904,6431.193651,6365.42249,16363.82542,20939.2616,27216.18168,28439.8837,28196.25265,27409.03025,25925.08157,25585.00725,24804.34182,749.573976,760.046332,1448.571864,1821.439908,1686.74492,1871.613748,1665.869424,1541.413044,1689.993872,116.3786321,149.9068709,209.1466404,233.8543055,236.6353294,226.9314166,212.6489478,213.8682904,204.7010313,16752.33539,14615.28545,30216.75386,40611.44133,38201.35763,42638.04975,37124.26016,34847.98235,38416.75695,253,231.75,408.5,493.25,386,457.75,452.5,357.25,417,64.38663606,68.79727128,39.98919204,30.85419127,30.05574985,27.61825366,30.91771578,30.19339742,27.91851969,163.6382542,211.5076929,144.7669238,117.0365584,120.4968062,108.3360879,116.7796467,120.1174049,108.7909729,7.49573976,7.677235677,7.705169489,7.495637481,7.208311624,7.397682798,7.503916324,7.236680958,7.412253825,1.163786321,1.514210817,1.11248213,0.962363397,1.011262091,0.896962121,0.957878143,1.004076481,0.897811541,167.5233539,147.6291459,160.7274142,167.125273,163.2536651,168.5298409,167.2263971,163.605551,168.494548,2.53,2.340909091,2.17287234,2.029835391,1.64957265,1.809288538,2.038288288,1.677230047,1.828947368,1.427828412,-0.321625304,-0.843670096,0.68444003,-0.059533121,-0.563336246,0.591332467,-0.058350415,-0.471101993,3404.658915,121.2993373,-1490.694216,-89.49923237,251.5621891,264.6709369,-91.67754589,193.5011482,197.3902872,4683.945119,-466.27767,-1760.703676,231.9296677,-781.4657858,595.2509593,199.224014,-656.8884317,487.4957655,8.01393744,0.025556094,-3.051926707,3.762959141,1.12914031,-1.464257163,3.046711363,0.760983413,-1.424852723,20.61838273,-4.408567866,-6.431169613,5.059371613,-6.925887739,1.931311759,4.308718761,-5.840621083,1.545259175,115.028047,-28.07219101,-33.72977868,36.47496685,-43.18566801,8.452920327,30.9738089,-36.527326,6.551451073,62.56,-0.6144,-21.4528,20.3792,9.1496,-8.4968,16.9168,6.6472,-8.5368,0.014278284,-0.00324874,-0.004487607,0.002816626,-2.54E-04,-0.002226625,0.00266366,-2.74E-04,-0.002066237,34.04658915,1.225245832,-7.929224555,-0.368309598,1.07505209,1.046130185,-0.412961918,0.908456095,0.865746874,46.83945119,-4.709875454,-9.365445083,0.954443077,-3.339597375,2.35277059,0.897405468,-3.083983247,2.138139322,0.080139374,2.58E-04,-0.016233653,0.015485429,0.004825386,-0.005787578,0.013723925,0.003572692,-0.006249354,0.206183827,-0.044530989,-0.034208349,0.020820459,-0.029597811,0.007633643,0.019408643,-0.027420756,0.006777453,1.15028047,-0.283557485,-0.179413716,0.150102744,-0.184554137,0.033410752,0.139521662,-0.171489793,0.028734435,0.6256,-0.006206061,-0.114110638,0.083865021,0.039100855,-0.03358419,0.076201802,0.031207512,-0.037442105,-0.227530172,-0.314295951,0.197266395,-0.017818321,-0.155944892,0.186553212,-0.019186172,-0.144711843,0.03598733,-0.23289336,-0.010817812,0.031575912,0.030726431,-0.012129318,0.026682734,0.0254283,-0.1005536,-0.199947797,0.020376906,-0.071298815,0.050230533,0.01915918,-0.065841575,0.045648257,0.003221168,-0.202567749,0.193231213,0.060212423,-0.072218903,0.171250714,0.044580983,-0.077981069,-0.215977117,-0.165911893,0.10098008,-0.143550594,0.037023482,0.094132713,-0.13299179,0.032870922,-0.246511605,-0.155973887,0.1304923,-0.160442728,0.029045744,0.121293602,-0.1490852,0.024980372,-0.009920174,-0.182401915,0.13405534,0.062501366,-0.053683168,0.121805949,0.04988413,-0.059849913,1.245766635,1.667229022,0.886764913,0.564721391,1.141553292,0.922524181,0.628312749,1.159298019,1.152585176,1.38246433,1.02726512,0.875629765,0.944885669,1.032615594,0.892388695,0.95705638,1.530008277,1.30872578,0.952374857,1.141323496,0.888851584,0.950424335,1.126383054,0.893501994,0.932218408,1.588102681,0.932849253,0.46222787,1.100261299,0.975991762,0.541050555,1.132319795,1.763269294,1.308010812,0.867975669,1.234273189,0.888062886,0.870763788,1.211758606,0.892341174,1.812022569,1.317126195,0.842463633,1.238982896,0.894887715,0.848152812,1.217367249,0.899971311,0.951086957,1.369940177,0.841710476,0.405764312,0.960121761,0.883908205,0.466200335,1.001196746,893.3339245,447.6669622,706.9148866,895.2286613,23.55864898,447.6669622,2,0.15080772,0.003968624,-7.188648596,514.4772279,13.53887442,23.72397492,893.6534869,447.8238057,707.1673856,895.5426576,23.56691204,447.8238057,1.994124633,0.150301776,0.00395531,-7.201418638,514.6506581,13.54343837,23.72525568,1178.078945,587.4434945,936.6180869,1175.054987,30.92249965,587.4434945,-3.191955824,0.172150534,0.004530277,-6.685666759,482.9148415,12.7082853,23.48339324,893.9888777,447.9884181,707.4324096,895.8722067,23.57558439,447.9884181,1.987958402,0.149771223,0.003941348,-7.21485606,514.8413745,13.54845722,23.7266636,1481.075245,736.2084454,1186.235925,1472.872594,38.75980509,709.7827129,-8.658354115,0.353494545,0.009302488,-3.951571458,734.5130741,19.32929142,25.07698962,926.820689,464.1028813,733.4626539,928.1328639,24.42454905,464.1028813,1.385073487,0.100004416,0.002631695,-8.749655565,607.0607578,15.9752831,24.35278975,770.3296769,386.7858106,611.2340062,773.3277615,20.35073056,386.7858106,4.633333333,0.413923061,0.010892712,-3.351885628,680.7630572,17.9148173,24.78821439,0,11.99611375,16.00258397,-0.418417559,0.094669954,3.719659282,7.626311644,37,99,99,99,37,0,0,0,0,0,81.190834,3.55183964,3.500083062,3.482093405,3.443475953,3.393996669,3.342338087,3.272641157,3.197433367,1.953231893,1.896557124,1.806987931,1.734641471,1.710301189,1.686430686,1.650538787,1.59689443,3.575825672,3.503181136,3.394150452,3.371897234,3.331348821,3.274188163,3.220766344,3.160515731,1.895809529,1.840253459,1.770005762,1.754515692,1.725092042,1.677410173,1.628683512,1.58183315,3.699356117,3.640541095,3.60620055,3.572230919,3.535281477,3.487534797,3.421904938,3.360984122,1.721188999,1.654141585,1.549514664,1.502731682,1.467862912,1.42298754,1.384029604,1.32305259,3.595847233,3.522478088,3.407354791,3.352955276,3.315571821,3.267409805,3.22524735,3.158759091,1.859727905,1.808235689,1.779233037,1.74832994,1.714996954,1.67212956,1.613644896,1.560123443,3.756985911,3.69611808,3.631895043,3.608534367,3.578839978,3.527209398,3.468397553,3.415884416,1.666736302,1.59816768,1.494232928,1.469416792,1.431131551,1.378064711,1.330191685,1.272159101,4.582339371,3.866330931,3.82298265,3.753213715,3.663950752,3.627341247,3.566889489,3.520528205,1.794046706,1.723206338,1.611044394,1.473856575,1.461454965,1.430721538,1.383950051,1.328419662,0,0,0,0,0,16,14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,27.45584412,18.91421356,13.02081528,8.957106781,6.156854249,4.228553391,2.901650429,1.989276695,0.722522214,0.511194961,0.361689313,0.255917337,0.181083949,0.128137982,0.090676576,0.064170216,24.81104828,15.56478643,9.606407925,6.109903993,3.884758805,2.438926593,1.560290038,0.996765653,0.652922323,0.420669904,0.266844665,0.174568686,0.114257612,0.073906866,0.048759064,0.032153731,52.51505475,99.16824472,94.28235294,95.76,58.59710539,772.3693808,0.525150548,0.991682447,0.942823529,0.9576,0.585971054,7.723693808,5.5762,153.1308,501.2592902,794.0415922,1002.51858,26.3820679,501.2592902,1.39E-16,3.65E-18,-138.7518967,517.1755763,13.60988359,23.74385321,2054,1,0,8,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,30,0,0,0,0,0,0,0,0,0,0,0,1,0,29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.688606271,0,46.53835368,0,0,3.503693833,0,0,3.669679545,0,0,3.72711723,0,0.688606271,0,0,0,0,0,0,0,0,0,0,0,0,0,13.38318576,0,0,0,0,0,0,0,0,0,0,0,2.281740794,0,27.17990553,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.56984495,0,37.96850873,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.688606271,0,5.088094577,0,0,3.503693833,0,0,3.669679545,0,0,3.72711723,0,0.688606271,0,0,0,0,0,0,0,0,0,0,0,0,0,0.213004327,0,0,0,0,0,0,0,0,0,0,0,2.281740794,0,0.038679869,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.56984495,0,5.088094577,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.688606271,0,8.56984495,0,0,3.503693833,0,0,3.669679545,0,0,3.72711723,0,0.688606271,0,0,0,0,0,0,0,0,0,0,0,0,0,0.672068475,0,0,0,0,0,0,0,0,0,0,0,2.281740794,0,1.440055186,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.56984495,0,5.654576412,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,76,2,0.688606271,8.56984495,-0.080735903,0.038679869,14.08642649,1.461320131,2.56984495,32.64018894,1.461320131,2.56984495,32.64018894,17.66664,0.46491,0,0.03509,0.51333,0.8614,0.43103,0.51333,0.84701,0.0823,0,-0.0823,0.01439,0.53971,0.17458,0,0.04717,0,0,22.25,0.58553,22.25,0.58553,0,0,-22.25,-0.58553,0,0,49.84154,1.31162,63.07281,13.23127,0.34819,15.04993,0.39605,18.91421,3.86429,0.10169,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,37.08,8,8,8,8,1,1,1,1.240187299,1.710528291,2.67041325,3.256315928,3.658800408,4.009778984,124.0187299,171.0528291,267.041325,325.6315928,365.8800408,400.9778984,0.186666789,0.257460162,0.401937245,0.490124385,0.550704335,0.603531875,5.403668891,4.933327899,3.97344294,3.387540262,2.985055782,2.634077206,0.187075062,0.258023273,0.402816352,0.491196373,0.551908823,0.604851906,11.34666465,16.35268264,19.60436937,22.23207798,24.47865568,26.15613204,138.9632115,112.8771063,104.3914341,89.28083355,76.91895149,66.56820657,38,37,37.02857143,38,0,16,3.88,4.8052,0,2.307707431,0,0,0,0,0,0,0,0,0,0.69033221,3.11108609,0,0,0,0,0,0,0.259,1.862,1.957,1.677,0.332,18.042,36,35,34,33,32,31,30,29,28,363,3.63758616,3.610917913,3.583518938,3.555348061,3.526360525,3.496507561,3.465735903,3.433987204,3.401197382,3.36729583,5.897153868,1,0.486486486,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,35,0.945945946,37,1,2,19,37,0.947368421,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.013513514,0.00617284,0.003571429,0.002352941,0.001683502,0.00127551,0.001008065,8.23E-04,6.90E-04,5.90E-04,0.040125789,501.2592902,794.0415922,1002.51858,26.3820679,501.2592902,1.39E-16,3.65E-18,-138.7518967,517.1755763,13.60988359,23.74385321,84.84,597.7578111,6.247927513,4.990432587,5.666426688,6.34738921,7.029087564,7.712890961,8.396831835,9.081938657,9.767037619,10.45290869,144.4449438,4.317488114,0,5.38907173,0,6.575075841,0,7.813995675,0,9.083075021,9.419384999,550.4444689,5.504444689,74.82842712,1.969169135,23.33051961,23.33051961,0,9139,35,6.349,146,1.238534191,2.12615248,2.864454345,3.681934615,4.895671077,5.982018766,7.252672672,8.261802434,9.609465673,10.75445985,98.45407154,94.15858889,107.7405228,139.7599474,161.248484,217.0689835,248.8798058,262.7343365,329.385793,359.1905144,286.5136081,328.0208922,372.4076284,516.7315069,588.3111048,775.1544503,938.8080759,976.5475267,1190.424149,1364.969968,9.61001104,16.46390602,21.61178308,26.91740718,36.51830037,45.37535145,52.83185235,61.71418913,72.5989678,78.62043662,1.98749784,2.474497338,2.951124249,4.142529139,4.69928336,6.167956596,7.645398352,7.848069677,9.550931146,11.13782149,181.1252207,338.6079765,474.8692747,587.4356779,816.1900345,987.5672186,1176.110486,1378.438444,1597.085983,1750.641246,3.045557729,4.745574912,6.131237234,6.594943337,9.285220772,12.9598625,12.6546948,15.74587085,20.34941681,18.98486292,0.457476137,0.590959964,0.687422998,0.942366193,1.119885736,1.446320522,1.749289946,1.875547547,2.251426202,2.564373932,1202.684298,4587.824142,55.63762091,197.8839552,-754.8587676,-50.41602348,1004.800343,5342.68291,106.0536444,0.858711666,3.275687658,0.039725034,0.141288334,-0.53896607,-0.035996834,1684.441447,6425.560846,77.92428555,277.1499856,-1057.231226,-70.61108196,0.055006929,0.103122216,1.243636997,3.720930186,1258.31981,142.2484437,0.898435193,0.101564807,2795.96737,52.87690772,14.08782775,3421.709279,58.49537827,15.06888213,5070.330491,71.20625318,17.17956209,9.529078695,9.529078695,96923.31554,96811.66534,207.5614831,1.001153272,466.9619531,466.4240393,11.94025482,23.1171969,45.6816564,0.976089774,24.90813597,29.59308124,26.64845522,111.103213,62.15070858,2.631473736,67.33401928,26.13351104,83.02474472,0.313768517,22.54922193,60.87945433,12.16440323,68.08550215,0.001412409,60.91195547,33.28399687,60.64156626,58.62864457,0.145414094,45.4132442,20.53542995,56.10815383,45.59424783,8.856789057,24.58192724,11.91861137,24.70845135,30.52168599,42.21966109,2.115779256,32.32961763,2.715669376,22.98147178,0.440085886,2.757795112,6.429670705,0.268662302,15.56732607,0.002210786,23.43463007,3.577004349,5.037033307,12.18385593,2.59E-04,10.72648213,1.070912889,22.20441289,9.433416044,0.188074347,4.835736905,0.326728947,9.894412636,6.591824145,7.543235206,4.467536734,0.16894758,4.563201747,4.085122759,14.93940116,6.67749786,27.20056935,5.82446437,27.49499882,4.56753107,1.490617504,18.49937323,1.975812647,23.95960058,0.023031114,16.03801123,12.3478362,4.200074073,19.99714417,2.25E-04,16.83796336,4.551891308,21.1802193,16.57501727,0.116416801,8.403914754,1.964518009,14.38418094,12.12108862,5.957055528,6.328058731,1.015944519,6.407338381,7.722291765,15.6230636,23.79588865,32.33908782,30.65190643,104.7774929,55.37683312,3.450115424,64.23553508,23.31455826,80.28293612,0.279562711,26.86468876,56.40885941,12.24803638,64.04436798,0.001340471,64.70411502,30.22105631,64.89038166,54.98792919,0.189207513,42.51472904,18.4186671,56.80160503,42.57874854,10.06468889,23.81353769,10.65927758,24.00673729,28.42589624,46.05509461,9.755994036,25.25286215,6.9401579,34.39025145,9.915501699,1.278878044,26.70022532,4.209897725,30.52045845,0.050024473,13.33468383,19.21910072,4.611077313,26.28838829,2.87E-04,20.43704782,7.859297586,22.25649832,22.25433663,0.100610488,12.09584877,3.827250529,17.95987583,16.59043454,5.415909268,8.103223047,2.060018949,8.186089642,10.7120777,16.54773148,30.31078353,31.34436452,36.68344012,151.2036959,90.63335043,3.320375026,81.95380809,38.07374409,108.1746091,0.457599001,26.45481428,78.8942857,16.20837081,86.9530175,0.002012481,80.03526799,45.88274558,78.80118395,74.76207876,0.172087565,62.18697109,29.37307783,74.55242831,58.60325871,10.32786566,32.54182547,17.22724206,32.6110076,39.5241665,54.34494691,18.29476297,40.99870143,34.28547914,73.4009564,27.02597774,7.461124917,45.95723115,11.48845984,60.87263746,0.136407298,39.63895797,35.72041293,13.15192295,44.25766537,9.60E-04,63.33055983,16.96793081,68.52069786,37.68911668,0.397416285,27.55172376,9.477179792,50.38431134,28.73531399,13.06443368,17.87164642,5.372866199,18.30523801,19.09447925,51.3569135,181.9505261,0.790966403,0.475511656,0.993087552,0.004317101,0.558317038,0.716748729,0.607178035,183.2170042,230.8124629,482.4635607,0.989631328,1.882243801,179.1560957,0.290050818,0.087119352,0.997899163,0.001615583,0.54130537,0.096668091,0.020432483,179.5332659,67.59760415,251.6579725,0.996848744,0.658405944,179.1163189,0.498471405,0.245409736,0.995864115,0.002771438,0.541062546,0.285270643,0.162035051,179.8602,133.3635814,335.1350334,0.993796172,0.98836824,182.1381901,0.76014794,0.452627532,0.993385497,0.004145863,0.559469498,0.662057237,0.550262526,183.3509656,221.2367932,467.2549323,0.990078246,1.771789261,179.4433597,0.600834572,0.324088891,0.994872028,0.003331154,0.543038965,0.414248759,0.282425947,180.3682832,166.1660976,381.4762755,0.992308042,1.23971367,182.4159796,0.823197276,0.501295571,0.992791502,0.004480217,0.56117683,0.776099645,0.674643453,183.7404724,242.0213253,501.038515,0.989187253,2.011919927,182.9236209,0.770721785,0.460464078,0.993314397,0.004185184,0.564304716,0.680391891,0.569455192,184.1548067,225.5678656,474.6403806,0.989971596,1.814151799 +UMLCP0041,L,CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO,C16E8,65,0,-5.4766,29.99314756,142.2859,107.546338,0,0,107,41,66,0,32,0,9,0,0,0,0,0,0,0,6987.224105,7387.950308,8161.528651,8159.065298,7662.558525,7637.075108,7525.229723,7060.70671,7015.079421,17551.58498,22427.18397,29094.32606,30414.64425,30267.45646,29473.6771,27899.84212,27656.21107,26868.98867,804.88058,816.125144,1555.972276,1943.101712,1798.168116,2019.324944,1787.531228,1652.83624,1837.705068,124.3780877,159.8286281,222.0966954,248.4470103,252.7897155,242.549149,227.2416526,230.0226765,220.3187637,17931.046,15661.25665,32373.29748,43143.37924,40599.48963,45904.09927,39656.19806,37246.11436,41682.80647,273.75,250.5,443.25,534,414.75,498.5,493.25,386,457.75,65.30115986,69.69764442,40.60462015,31.6242841,30.77332741,28.07748201,31.75202415,30.96801189,28.40113126,164.0335045,211.5772073,144.7478909,117.886218,121.5560501,108.359107,117.7208528,121.2991714,108.7813306,7.522248411,7.699293811,7.741155602,7.531401984,7.221558699,7.423988765,7.542325857,7.249281754,7.44010149,1.162412035,1.507817247,1.104958684,0.962972908,1.015219741,0.891724812,0.958825538,1.008871388,0.8919788,167.5798692,147.7477043,161.0611815,167.2224001,163.0501592,168.7650709,167.3257302,163.3601507,168.7563015,2.558411215,2.363207547,2.205223881,2.069767442,1.665662651,1.832720588,2.081223629,1.692982456,1.853238866,1.592927736,-0.353151328,-0.956573796,0.777846115,-0.060705106,-0.655570346,0.684738552,-0.0595224,-0.563336093,3680.013763,146.0544549,-1610.778896,-123.2855495,279.4198042,308.7616293,-125.5703963,220.4329025,239.5147861,4999.607364,-521.9303945,-1836.466342,261.5572497,-913.645467,706.5023604,228.9038288,-788.463189,597.8118119,8.94834729,0.011958087,-3.578102554,4.163717974,1.298288195,-1.78538369,3.445741199,0.913063719,-1.752210884,21.99451473,-5.012236433,-6.630773292,5.79175265,-8.018984,2.29292896,5.04096219,-6.935179817,1.907689947,122.8722958,-31.99032794,-34.81331782,41.71778794,-49.93468511,10.01477155,36.21438707,-43.29995484,8.123725083,67.65420561,-0.545287798,-24.51397502,21.97397153,10.29535331,-10.15368154,18.49489038,7.713468425,-10.23447463,0.014887175,-0.003331616,-0.004759074,0.003014907,-2.44E-04,-0.002410185,0.002889192,-2.61E-04,-0.002280713,34.39265199,1.377872216,-8.013825353,-0.477850967,1.122167888,1.135153049,-0.529832896,0.966810976,0.96969549,46.72530247,-4.923871647,-9.136648469,1.013787789,-3.669258904,2.597435148,0.96583894,-3.458171882,2.420290736,0.083629414,1.13E-04,-0.017801505,0.016138442,0.005214009,-0.006563911,0.014538992,0.004004665,-0.007093971,0.205556212,-0.047285249,-0.032988922,0.022448654,-0.032204755,0.008429886,0.021269883,-0.030417455,0.007723441,1.148339213,-0.301795547,-0.173200586,0.161696852,-0.200540904,0.036819013,0.152803321,-0.189912083,0.032889575,0.632282295,-0.005144225,-0.121960075,0.085170432,0.0413468,-0.037329712,0.078037512,0.033831002,-0.04143512,-0.223791033,-0.319676069,0.202517093,-0.016376217,-0.161896739,0.194072561,-0.017536111,-0.153199846,0.040062983,-0.233009811,-0.013893984,0.032628129,0.033005685,-0.01540541,0.028110975,0.028194845,-0.105379128,-0.195539632,0.021696762,-0.078528307,0.055589477,0.020670577,-0.07401069,0.051798289,0.001348953,-0.212861772,0.192975665,0.06234659,-0.078488062,0.173850225,0.047885848,-0.084826269,-0.230035613,-0.160486134,0.109209318,-0.156671281,0.041010125,0.103474774,-0.147976337,0.037573377,-0.262810451,-0.150827024,0.14080931,-0.174635597,0.032062837,0.13306462,-0.165379777,0.028640993,-0.008135962,-0.192888644,0.134703174,0.065392944,-0.059039628,0.123421947,0.053506167,-0.065532627,1.242017603,1.687818162,0.899109933,0.562778014,1.160356563,0.935514959,0.621709007,1.182632394,1.136461934,1.382273784,1.035650185,0.872998655,0.945536546,1.042214195,0.889024142,0.957630973,1.530355835,1.29661425,0.950505264,1.155508957,0.880120422,0.948244802,1.142488204,0.883263342,0.932310261,1.608663083,0.948248726,0.460265641,1.117552089,0.991761455,0.53244522,1.15225529,1.778717749,1.295163053,0.858832447,1.256729407,0.878760195,0.860357848,1.237263765,0.881448472,1.830569098,1.305626779,0.83191221,1.262106603,0.886646865,0.836143309,1.243726899,0.890303289,0.945987015,1.401147667,0.863860538,0.409001665,0.982124501,0.905697747,0.465570569,1.022854444,1032.574346,517.4121732,816.2210898,1034.71459,25.23694123,517.4121732,2.25,0.147780101,0.003604393,-7.839322646,776.2505269,18.93293968,27.28334878,1032.96847,517.6059299,816.5353029,1035.102426,25.24640064,517.6059299,2.243390212,0.147277187,0.003592127,-7.853299243,771.5574288,18.81847387,27.25848554,1383.481937,689.9454935,1100.633221,1380.066155,33.66015013,689.9454935,-3.590950303,0.164209515,0.00400511,-7.407109765,1038.667948,25.3333646,28.47734684,1033.382114,517.8092834,816.8650977,1035.509472,25.25632857,517.8092834,2.236453202,0.146749867,0.003579265,-7.868005484,766.8275693,18.70311145,27.23327405,1756.436961,873.3481564,1407.780804,1747.171466,42.61393821,709.7827129,-9.740648379,0.333394038,0.008131562,-4.50356379,534.0338115,13.02521491,25.74988253,1073.870023,537.7141156,849.2340425,1075.352221,26.22810295,537.7141156,1.558207673,0.097530153,0.002378784,-9.543134128,619.9112516,15.11978663,26.36126293,878.4079647,441.0184331,694.6389037,881.7830915,21.50690467,441.0184331,5.202380952,0.416936806,0.01016919,-3.586764511,604.3515855,14.74028257,26.25704011,0,11.99610882,16.00351825,-0.418427759,0.095555652,3.719658188,7.626319012,40,106,106,106,40,0,0,0,0,0,87.479662,3.551839808,3.500692855,3.485870326,3.453903343,3.409651702,3.363521976,3.30679605,3.236837651,1.953231893,1.896557124,1.806987936,1.736529188,1.715908553,1.692879163,1.665875476,1.621864802,3.575825672,3.503181137,3.394224328,3.375404143,3.342435226,3.293910538,3.240956483,3.193277092,1.895809529,1.840253472,1.771304396,1.757427572,1.734129933,1.694473666,1.647547301,1.606664265,3.699356121,3.640546855,3.609071508,3.580281451,3.54582108,3.507442574,3.45153454,3.391402069,1.721188999,1.654141585,1.549515236,1.505425616,1.476996792,1.436770933,1.399714669,1.354396943,3.595847233,3.522478088,3.407355165,3.355831269,3.325393938,3.282219951,3.24235962,3.193033066,1.85972791,1.80824338,1.78185776,1.755603277,1.724401628,1.689881103,1.639689303,1.586639545,3.756985911,3.69611815,3.63394086,3.612954062,3.588329275,3.546742849,3.492585452,3.442899367,1.666736302,1.59816768,1.494262217,1.472633305,1.441467712,1.396012094,1.348132591,1.303540097,4.584637438,3.870403456,3.835921897,3.779872705,3.705075274,3.635732361,3.608614549,3.550688264,1.793422384,1.722581285,1.610418101,1.473467084,1.463503581,1.439006204,1.400926678,1.353095019,0,0,0,0,0,18,14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,29.57716447,20.41421356,14.08147545,9.707106781,6.687184335,4.603553391,3.166815472,2.176776695,0.721394255,0.510355339,0.361063473,0.255450178,0.180734712,0.127876483,0.090480442,0.064022844,26.63351014,16.6421367,10.21878036,6.481912461,4.104672008,2.563926593,1.636225948,1.041655247,0.649597808,0.416053418,0.262020009,0.170576644,0.110937081,0.071220183,0.046749313,0.030636919,56.31350946,106.2745812,101.0823529,102.68,62.67445389,826.580412,0.526294481,0.993220385,0.944694887,0.959626168,0.58574256,7.725050579,5.5928,163.9498,583.5950469,924.4035819,1167.190094,28.46805107,583.5950469,1.58E-15,3.86E-17,-139.728179,2000383.299,48789.83657,59.48628242,2400,1,0,9,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,32,0,0,0,0,0,0,0,0,0,0,0,1,0,31,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.688328925,0,52.05520301,0,0,3.502502138,0,0,3.668022051,0,0,3.724618183,0,0.688328925,0,0,0,0,0,0,0,0,0,0,0,0,0,14.79141247,0,0,0,0,0,0,0,0,0,0,0,2.281733791,0,28.1630632,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.575141826,0,43.48006119,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.688328925,0,5.08841342,0,0,3.502502138,0,0,3.668022051,0,0,3.724618183,0,0.688328925,0,0,0,0,0,0,0,0,0,0,0,0,0,0.213599211,0,0,0,0,0,0,0,0,0,0,0,2.281733791,0,0.035260377,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.575141826,0,5.08841342,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.688328925,0,8.575141826,0,0,3.502502138,0,0,3.668022051,0,0,3.724618183,0,0.688328925,0,0,0,0,0,0,0,0,0,0,0,0,0,0.677170516,0,0,0,0,0,0,0,0,0,0,0,2.281733791,0,1.438878648,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.575141826,0,5.662994642,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,82.5,2.012195122,0.688328925,8.575141826,-0.084362373,0.035260377,14.56030546,1.464739623,2.575141826,36.67387361,1.464739623,2.575141826,36.67387361,18.99997,0.46341,0,0.03659,0.51776,0.86829,0.4312,0.51776,0.85476,0.08656,0,-0.08656,0.01353,0.53371,0.18058,0,0.04386,0,0,24.25,0.59146,24.25,0.59146,0,0,-24.25,-0.59146,0,0,54.2312,1.32271,69.48451,15.25331,0.37203,16.04621,0.39137,20.41421,4.368,0.10654,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,40.09,9,9,9,9,1,1,1,1.25119281,1.711151612,2.648406511,3.207126428,3.591705126,3.928978996,133.8776307,183.0932225,283.3794967,343.1625278,384.3124485,420.4007526,0.18559652,0.253824815,0.392853146,0.475731237,0.532777975,0.582807719,5.490274177,5.030315374,4.093060475,3.534340558,3.14976186,2.81248799,0.185970214,0.254335886,0.393644147,0.476689112,0.533850712,0.58398119,11.48811887,16.40870508,19.52778542,22.04579631,24.21150606,25.84276502,150.003568,122.5000569,114.0862383,98.79477904,86.17214665,75.51590797,41,40,40,41,0,16,3.99,5.1457,0,2.294966024,0,0,0,0,0,0,0,0,0,0.708400186,3.74686121,0,0,0,0,0,0,0.259,2.073,2.183,1.862,0.346,19.4,39,38,37,36,35,34,33,32,31,396,3.713572067,3.688879454,3.663561646,3.63758616,3.610917913,3.583518938,3.555348061,3.526360525,3.496507561,3.465735903,5.983936281,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,38,0.95,40,1,2,20,40,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.0125,0.005698006,0.003289474,0.002162162,0.00154321,0.001166181,9.19E-04,7.48E-04,6.25E-04,5.33E-04,0.036969765,583.5950469,924.4035819,1167.190094,28.46805107,583.5950469,1.58E-15,3.86E-17,-139.728179,2000383.299,48789.83657,59.48628242,94.07,641.140007,6.357552005,5.068904202,5.746203191,6.428105273,7.110696123,7.795234929,8.479906607,9.165656764,9.851404473,10.5378662,151.1839778,4.394449155,0,5.468060141,0,6.65544035,0,7.895436007,0,9.165447603,9.501366846,594.4706837,5.555800782,80.82842712,1.971425052,26.33051958,26.33051958,0,11480,38,6.159,158,1.23928869,2.125868851,2.864796631,3.688068934,4.891794639,5.984884773,7.251178154,8.250834705,9.605522462,10.75052247,99.67824826,95.52376975,110.3779787,143.0046601,163.7930981,222.71484,255.0288515,266.9670846,338.6705523,368.7110219,286.5316337,327.7936883,375.1793398,521.2456027,588.0011506,781.1266196,947.2565734,975.3138931,1200.299058,1378.824376,9.647264191,16.54025803,21.72202093,27.02012018,36.62968614,45.64357584,52.92512728,61.88270664,72.98264094,78.7265086,1.978210111,2.456457953,2.953920311,4.158899124,4.666859367,6.173147996,7.674572863,7.785337568,9.559220388,11.19257616,181.4325598,339.3038913,475.2026332,587.8142209,816.7615235,988.8406939,1174.210511,1378.891974,1597.537905,1746.902199,3.079677946,4.816201555,6.258076447,6.675080792,9.405253265,13.24683783,12.7807035,15.94647632,20.81230475,19.15222046,0.458136837,0.591259817,0.691703735,0.949723126,1.120292629,1.455735771,1.762205399,1.874954451,2.266330868,2.585207217,1310.455947,5491.624888,64.20304251,219.5639307,-920.1093323,-55.35564136,1090.892016,6411.73422,119.5586839,0.856496027,3.589250681,0.041962228,0.143503973,-0.601370836,-0.036179688,2005.023648,8402.29524,98.23193125,335.9371784,-1407.785568,-84.69523162,0.050071902,0.093870454,1.903016615,3.42185466,1360.726633,169.293245,0.889352258,0.110647742,3048.11989,55.20978074,14.49919915,3713.784346,60.94082659,15.48598712,5553.27253,74.52028268,17.70854974,7.316787922,7.316787922,121147.2362,121026.7328,222.7491722,1.000995676,543.8728908,543.3319084,12.52342628,24.99631668,49.24720669,0.97017854,26.48125113,31.67216704,29.32470996,116.2238207,65.18886941,2.912548807,75.13512766,29.47967011,86.45722895,0.312985019,25.81465739,62.24738077,13.97010424,68.38022832,0.001444563,69.83292902,33.27776987,71.71240547,58.62992848,0.178997557,50.66179413,20.52599351,63.78896286,45.58354504,11.05088213,24.80214509,11.93048159,25.21493249,30.50574197,52.54321688,2.247777239,34.77524923,3.003215139,24.08042355,0.461483836,3.179706522,7.072538924,0.305014327,15.79687072,0.002205264,27.04487194,3.585289137,5.953556126,12.183448,3.09E-04,11.91489026,1.069341407,26.30209372,9.42889121,0.233760335,4.90918125,0.326103676,11.01262948,6.586142261,9.459868733,4.469816236,0.181360747,4.575449105,4.079173715,18.30143442,7.103739622,28.96271005,6.370316447,28.70389867,4.790513141,1.683196255,20.58401952,2.227793782,24.57390183,0.022973599,18.46190348,12.44524447,4.905941672,20.01926983,2.52E-04,19.05578174,4.547654424,25.05711616,16.57200115,0.142036855,8.880321067,1.962411122,16.1866607,12.11467896,7.447782676,6.344966827,1.024556601,6.461346432,7.714613206,19.1882523,25.28052663,34.78424732,33.89224404,109.8956263,58.08378279,3.871062463,71.59127565,26.30007447,83.77907779,0.278864625,30.8293559,57.62695383,14.12558954,64.30732306,0.001385624,74.32699481,30.21450836,76.85757141,54.98863997,0.235045563,47.21561972,18.40988593,64.69685239,42.56816508,12.57931723,24.00992804,10.67345442,24.4629694,28.41040077,57.49004515,10.38427229,26.75533437,7.530747479,35.85412022,10.39984902,1.420543474,29.78043372,4.746719219,31.38900809,0.049899552,15.31087616,19.43361737,5.350309901,26.33722579,3.04E-04,23.19445918,7.853740037,26.29208015,22.252335,0.121799477,13.04288368,3.824032919,20.2452763,16.58348956,6.75630689,8.139039246,2.067948321,8.286675715,10.70316521,20.30950477,32.21034179,33.65588072,40.49733214,158.1007406,95.06422633,3.685333521,91.41053329,42.9512683,112.8837619,0.456456356,30.25985876,80.8928771,18.58866125,87.37932091,0.002049903,91.91360085,45.87839897,93.20051418,74.76408895,0.213086213,69.72668794,29.36109551,84.88905595,58.59094533,12.89033364,32.86246016,17.24127894,33.32939838,39.50547584,67.84462058,19.34570478,44.53870686,38.07043749,77.82588274,28.3857444,8.536289995,51.08242951,12.97842343,63.8293102,0.136253772,45.5470024,36.36191653,15.4104069,44.44841536,0.001045256,72.64965177,16.98422269,81.16621475,37.73960977,0.500071251,29.9754468,9.484394047,57.28317491,28.76549798,16.33911409,17.99287525,5.404920809,18.57319986,19.10762372,63.67831537,212.0933169,0.790376133,0.473780507,0.994074936,0.003704469,0.561322253,0.717830321,0.604858975,213.3574735,268.4936397,561.2725959,0.991112404,1.884011549,207.197313,0.288657442,0.085991644,0.998195088,0.001390638,0.535707687,0.095865952,0.019973425,207.5719621,77.65110598,290.3661462,0.997292632,0.651547064,208.6739173,0.497452863,0.243976461,0.996459527,0.002375437,0.543369516,0.284577583,0.160689359,209.4153466,154.8383281,389.579758,0.994689291,0.988636458,211.951331,0.758615314,0.45028032,0.9943287,0.003558897,0.560571033,0.661321984,0.546462676,213.1602266,256.5686282,542.1292138,0.99149305,1.768355693,209.5654467,0.60065831,0.323028519,0.995611713,0.002853631,0.548022022,0.414808625,0.281535547,210.4891335,193.7668727,444.9179405,0.993417569,1.244366195,212.5398571,0.822452855,0.499384186,0.993819197,0.003845723,0.563688303,0.777195361,0.671842618,213.8616941,281.3537759,582.5098295,0.990728795,2.012726282,212.9680144,0.769805358,0.458477179,0.994265622,0.003593925,0.565961796,0.680936534,0.566508648,214.196297,261.9378312,551.2986734,0.991398433,1.813406978 +UMLCP0042,L,CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,C16E9,75,0,-5.6075,31.44405625,153.3294,114.53551,0,0,114,44,70,0,34,0,10,0,0,0,0,0,0,0,7535.784604,7964.970759,8805.089198,8820.562117,8292.071584,8286.732039,8186.726542,7690.219769,7664.736352,18739.34454,23915.10634,30972.47045,32389.40479,32338.66028,31538.32395,29874.60267,29727.41488,28933.63552,860.187184,872.203956,1663.372688,2064.763516,1909.591312,2167.03614,1909.193032,1764.259436,1985.416264,132.3775433,169.7503854,235.0467504,263.0397151,268.9441016,258.1668814,241.8343574,246.1770626,235.9364961,19109.75661,16707.22785,34529.84109,45675.31714,42997.62163,49170.1488,42188.13596,39644.24636,44948.856,294.5,269.25,478,574.75,443.5,539.25,534,414.75,498.5,66.10337372,70.48646689,41.14527663,32.30975134,31.40936206,28.4767424,32.48701009,31.64699493,28.81479832,164.3802153,211.6381092,144.7311703,118.6425084,122.4949253,108.3791201,118.5500106,122.3350407,108.7730659,7.545501614,7.71861908,7.77276957,7.563236322,7.233300424,7.446859588,7.576162825,7.260326897,7.463970917,1.161206521,1.5022158,1.098349301,0.96351544,1.018727657,0.887171414,0.959660148,1.013074332,0.886979309,167.6294439,147.8515739,161.3543976,167.308854,162.8697789,168.9695835,167.413238,163.1450467,168.9806617,2.583333333,2.382743363,2.23364486,2.105311355,1.679924242,1.853092784,2.119047619,1.706790123,1.87406015,1.75802706,-0.384677351,-1.069477496,0.8712522,-0.061877091,-0.747804446,0.778144637,-0.060694385,-0.655570193,3954.873395,170.565402,-1731.643846,-159.5211925,305.6195169,352.4033093,-161.9907134,245.7292329,281.3231352,5315.165574,-577.5338082,-1911.759182,290.6468989,-1046.853192,818.2787801,258.0201318,-921.1594431,708.7449302,9.879409123,-0.004650867,-4.118121687,4.548233592,1.46541747,-2.117919287,3.828123413,1.064604694,-2.090947041,23.37061939,-5.616096094,-6.8315389,6.524039764,-9.110971693,2.653427938,5.773123561,-8.028455414,2.268896589,130.7155809,-35.91168479,-35.91566523,46.95648015,-56.66838379,11.55885199,41.45093428,-50.05454311,9.676736975,72.73684211,-0.484764543,-27.62880886,23.49861496,11.42520776,-11.85457064,20.00277008,8.771468144,-11.97368421,0.01542129,-0.003404224,-0.004997558,0.0031914,-2.34E-04,-0.002569775,0.003087876,-2.50E-04,-0.00246455,34.69187189,1.509428336,-8.091793671,-0.584326713,1.157649685,1.211007936,-0.642820291,1.011231411,1.057605771,46.62425942,-5.110918656,-8.933454123,1.064640655,-3.965352998,2.811954571,1.023889412,-3.790779601,2.664454625,0.086661484,-4.12E-05,-0.019243559,0.016660196,0.005550824,-0.007278073,0.015190966,0.004381089,-0.007860703,0.205005433,-0.049699965,-0.031923079,0.023897582,-0.034511256,0.009118309,0.02290922,-0.033038911,0.008529686,1.146627903,-0.31780252,-0.167830211,0.172001759,-0.214652969,0.039721141,0.164487834,-0.205985774,0.03637871,0.638042475,-0.004289952,-0.129106583,0.086075513,0.043277302,-0.040737356,0.079376072,0.036096577,-0.04501385,-0.220748352,-0.324068764,0.206947668,-0.015198658,-0.166638117,0.200234581,-0.016196514,-0.15981475,0.043509567,-0.233247537,-0.016843332,0.033369479,0.034907541,-0.018529421,0.029148943,0.030485693,-0.109619299,-0.191605277,0.022834479,-0.085049136,0.060310976,0.021960443,-0.081304875,0.057147388,-4.75E-04,-0.222054349,0.192244532,0.064051797,-0.08398279,0.175290859,0.050554054,-0.090705846,-0.24243243,-0.155718209,0.116570479,-0.168343131,0.044478378,0.111749333,-0.161161149,0.041607124,-0.27716273,-0.146368505,0.150006605,-0.187203685,0.034641701,0.143453542,-0.17964483,0.031726692,-0.006723615,-0.202347945,0.134905615,0.067828246,-0.063847405,0.124405623,0.05657394,-0.070549928,1.238972728,1.704743411,0.909786245,0.561405694,1.175209571,0.946300462,0.616353495,1.200301546,1.122724112,1.382313321,1.043249098,0.870899954,0.946151953,1.050700753,0.886241178,0.95806536,1.530692071,1.28592754,0.948808523,1.168141843,0.872520479,0.946317732,1.15670862,0.874505358,0.93270072,1.626085114,0.961788386,0.458998626,1.131552864,1.005151035,0.525650972,1.167599822,1.792349,1.283787211,0.850593207,1.276726438,0.870638656,0.851112042,1.259775969,0.872109904,1.846903302,1.295481979,0.822457349,1.2826722,0.879470922,0.825513253,1.266942515,0.882026064,0.941751085,1.428318197,0.883472353,0.411924966,1.000995867,0.924729516,0.465104697,1.041050755,1182.024201,592.2621007,933.6200978,1184.410565,26.91842193,592.2621007,2.5,0.143096589,0.003252195,-8.554635879,667.8583379,15.17859859,28.61793476,1182.499643,592.4961496,934.0014309,1184.878997,26.92906811,592.4961496,2.492655791,0.142604158,0.003241004,-8.569803492,668.3867055,15.19060694,28.62141439,1605.046162,800.5281086,1277.364829,1601.237578,36.39176314,709.7827129,-3.989944781,0.155814248,0.003541233,-8.179999087,649.3207924,14.75729074,28.49407828,1182.998633,592.7417905,934.4016691,1185.370629,26.94024156,592.7417905,2.484948002,0.142087872,0.00322927,-8.585762228,668.9532835,15.20348372,28.6251426,2054.194573,1021.685815,1646.816941,2043.863582,46.45144505,709.7827129,-10.82294264,0.313820132,0.007132276,-5.099315251,733.1253786,16.66194042,29.02819364,1231.835788,616.7835649,973.6604696,1233.488432,28.03382801,616.7835649,1.731341859,0.09408679,0.002138336,-10.39956557,873.1637456,19.84463058,29.79734166,993.7396823,498.8772458,783.6870744,997.4921412,22.67027594,498.8772458,5.771708683,0.413121948,0.009389135,-3.889654809,977.9450501,22.22602387,30.29599532,0,11.99610444,16.00447171,-0.418437513,0.09666409,3.719657179,7.626326418,43,113,113,113,43,0,0,0,0,0,93.76849,3.55183985,3.501192154,3.488712973,3.461983567,3.423120124,3.380347147,3.333187141,3.272167715,1.953231893,1.896557124,1.806987936,1.737915496,1.72048605,1.698459432,1.676609063,1.64116937,3.575825672,3.503181137,3.394268799,3.377971782,3.35069411,3.309685722,3.260371387,3.215656677,1.895809529,1.840253474,1.772351499,1.759766098,1.740776137,1.7078434,1.665503628,1.624832819,3.699356122,3.64054912,3.611189434,3.586767868,3.554971777,3.521996874,3.475962825,3.419522251,1.721188999,1.654141585,1.549515396,1.507374291,1.483872993,1.448931059,1.412223627,1.376662544,3.595847233,3.522478088,3.407355262,3.357908644,3.332777015,3.295292494,3.25589627,3.217328148,1.859727911,1.808246625,1.783801048,1.76148166,1.732606455,1.702894832,1.661404944,1.611073044,3.756985911,3.696118164,3.635495934,3.616831731,3.595238093,3.561661688,3.514394888,3.464880149,1.666736302,1.59816768,1.494277318,1.474976459,1.449185453,1.410589519,1.365205561,1.324858609,4.586668249,3.873498208,3.845435963,3.799542704,3.737361321,3.663417151,3.629415477,3.578357935,1.792870803,1.722029061,1.609864784,1.473097182,1.464889078,1.444930417,1.413490869,1.372861336,0,0,0,0,0,20,14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,31.69848481,21.91421356,15.14213562,10.45710678,7.217514421,4.978553391,3.431980515,2.364276695,0.720420109,0.509632874,0.360527039,0.255051385,0.180437861,0.127655215,0.090315277,0.06389937,28.45597199,17.71948697,10.8311528,6.853920929,4.324585211,2.688926593,1.712161859,1.086544842,0.646726636,0.412081092,0.25788459,0.167168803,0.10811463,0.068946836,0.045056891,0.029366077,60.11196418,113.3809177,107.8823529,109.6,66.7518024,880.7914431,0.527297931,0.994569453,0.946336429,0.961403509,0.585542126,7.726240729,5.6094,174.7688,672.184153,1064.666485,1344.368306,30.55382514,672.184153,1.67E-16,3.78E-18,-159.857876,664.3284659,15.09837422,28.5946175,2774,1,0,10,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,34,0,0,0,0,0,0,0,0,0,0,0,1,0,33,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.68798018,0,57.57866958,0,0,3.501142783,0,0,3.666382988,0,0,3.722551701,0,0.68798018,0,0,0,0,0,0,0,0,0,0,0,0,0,16.20283895,0,0,0,0,0,0,0,0,0,0,0,2.281708749,0,29.13962167,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.579939132,0,48.99873045,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.68798018,0,5.089016931,0,0,3.501142783,0,0,3.666382988,0,0,3.722551701,0,0.68798018,0,0,0,0,0,0,0,0,0,0,0,0,0,0.21411574,0,0,0,0,0,0,0,0,0,0,0,2.281708749,0,0.032558977,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.579939132,0,5.089016931,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.68798018,0,8.579939132,0,0,3.501142783,0,0,3.666382988,0,0,3.722551701,0,0.68798018,0,0,0,0,0,0,0,0,0,0,0,0,0,0.68161496,0,0,0,0,0,0,0,0,0,0,0,2.281708749,0,1.437849081,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.579939132,0,5.66950793,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,89,2.022727273,0.68798018,8.579939132,-0.087213405,0.032558977,15.03099583,1.467441023,2.579939132,40.72075665,1.467441023,2.579939132,40.72075665,20.3333,0.46212,0,0.03788,0.52164,0.87424,0.43134,0.52164,0.86148,0.09029,0,-0.09029,0.01276,0.52859,0.1857,0,0.04098,0,0,26.25,0.59659,26.25,0.59659,0,0,-26.25,-0.59659,0,0,58.68379,1.33372,76.00379,17.32001,0.39364,17.04249,0.38733,21.91421,4.87172,0.11072,-2.10E-04,0,-2.10E-04,0,0,43.1,10,10,10,10,1,1,1,1.260584499,1.709810153,2.62396182,3.157565408,3.525364284,3.84933582,143.7066329,194.9183574,299.1316475,359.9624565,401.8915284,438.8242835,0.184487749,0.250232354,0.384019326,0.462112723,0.51594044,0.563353985,5.572305515,5.123079861,4.208928194,3.675324606,3.30752573,2.983554194,0.184831587,0.250698722,0.384735039,0.462973981,0.51690202,0.564403932,11.60831175,16.43425893,19.42934116,21.84375126,23.92978044,25.51131285,161.0765499,132.2969925,123.9543933,108.5574217,95.75574863,84.89005607,44,43,43.02439024,44,0,16,4.1,5.4862,0,2.282376175,0,0,0,0,0,0,0,0,0,0.723385512,4.395041578,0,0,0,0,0,0,0.259,2.284,2.409,2.047,0.36,20.758,42,41,40,39,38,37,36,35,34,429,3.784189634,3.761200116,3.737669618,3.713572067,3.688879454,3.663561646,3.63758616,3.610917913,3.583518938,3.555348061,6.063785209,1,0.488372093,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,41,0.953488372,43,1,2,22,43,0.954545455,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.011627907,0.005291005,0.00304878,0.002,0.001424501,0.001074114,8.45E-04,6.86E-04,5.71E-04,4.86E-04,0.034259351,672.184153,1064.666485,1344.368306,30.55382514,672.184153,1.67E-16,3.78E-18,-159.857876,664.3284659,15.09837422,28.5946175,103.3,684.522203,6.459431619,5.141663557,5.82008293,6.502790046,7.186144305,7.871311203,8.556606194,9.242904363,9.929204031,10.61616772,157.8668743,4.465908119,0,5.541263545,0,6.72982407,0,7.97074039,0,9.241548299,9.577133949,638.4968984,5.600849986,86.82842712,1.973373344,29.33051957,29.33051957,0,14190,41,5.969,170,1.239948583,2.125612734,2.865088812,3.693502195,4.888419013,5.987411957,7.249871224,8.241434826,9.602093253,10.74712304,100.7500203,96.72280391,112.725333,145.8805404,166.005312,227.6884624,260.4187031,270.5950662,346.7494438,376.9449522,286.5460794,327.5929402,377.645534,525.2461698,587.7315143,786.3879908,954.6621338,974.2565842,1208.891848,1390.806946,9.67989047,16.60728494,21.82004986,27.1111315,36.72648277,45.87987693,53.00690682,62.02715155,73.31649314,78.81828744,1.970066333,2.440600621,2.956401195,4.173403988,4.638668496,6.177724234,7.700147293,7.731569134,9.566436881,11.23993577,181.7017697,339.9142616,475.4970963,588.1491694,817.2573349,989.9629028,1172.545656,1379.28087,1597.931332,1743.669491,3.109563877,4.878231871,6.370943169,6.746101178,9.509592628,13.49963253,12.89115518,16.11841135,21.21506239,19.29696676,0.458714033,0.591521147,0.695511993,0.956242903,1.120645759,1.464030503,1.773526664,1.874446166,2.279300456,2.603226023,1366.459581,6240.059709,65.25907001,227.3704857,-1038.307629,-58.9492489,1139.089095,7278.367338,124.2083189,0.857343333,3.915134894,0.04094481,0.142656667,-0.651454412,-0.036985906,2177.904366,9945.594784,104.0118679,362.3899165,-1654.885917,-93.95508531,0.045949477,0.086142089,1.040892455,3.110694251,1430.007357,163.8227095,0.897214444,0.102785556,3300.32941,57.44849354,14.88855089,4005.905427,63.29222249,15.88181858,6037.076553,77.69862645,18.2085583,7.48506309,7.48506309,149137.5029,149008.5399,237.5431929,1.000865474,627.8331997,627.2902964,13.0907322,26.66626687,52.79993064,0.980027084,28.05409503,33.74995612,32.00330525,121.3434505,68.24044961,3.194286822,82.93193367,32.8289418,89.88591943,0.312163438,29.07968413,63.61579394,15.77844322,68.67651474,0.001473036,78.76306532,33.27879806,82.79483636,58.63290528,0.212519453,55.91196899,20.51852752,71.46991645,45.58070024,13.24734749,25.01741299,11.94620434,25.72757373,30.49769579,62.87779083,2.379785856,37.21881972,3.290875235,25.17744294,0.482973364,3.602525884,7.715195537,0.341444375,16.02676693,0.002199472,30.65606811,3.594043456,6.872191779,12.1842878,3.59E-04,13.10137926,1.068194447,30.40291686,9.425880297,0.27940919,4.982268787,0.325569162,12.12722966,6.58205571,11.38168071,4.470726753,0.193704539,4.590352957,4.074986853,21.65535355,7.52981529,30.72420213,6.917012751,29.91152657,5.014472695,1.876418571,22.66757018,2.480057097,25.18706149,0.022913286,20.8858088,12.54372041,5.613181498,20.04200101,2.78E-04,21.27374541,4.544875758,28.9364956,16.57027722,0.16758401,9.35631496,1.960645456,17.98763018,12.11051646,8.942228384,6.35988739,1.033387673,6.518686122,7.709626397,22.75379003,26.76528267,37.22735305,37.13390571,115.0127716,60.80268661,4.292834637,78.94299672,29.28838705,87.2705061,0.278132608,34.79442606,58.84578709,16.0061694,64.57201275,0.001427509,83.95892475,30.21466811,88.83788079,54.99141624,0.280843687,51.91775656,18.40291548,72.59004114,42.56524869,15.09671779,24.20128536,10.69108167,24.92554647,28.40255527,68.93683265,11.0121935,28.25769504,8.122848416,37.3168346,10.88632676,1.562787976,32.85894166,5.284087187,32.25593996,0.049768558,17.28663608,19.64942491,6.090830416,26.38639219,3.21E-04,25.95318539,7.850457821,30.3300969,22.25143525,0.142907496,13.98957715,3.821367377,22.53042124,16.57935361,8.099836683,8.172401309,2.076451281,8.39096395,10.69763934,24.07441388,34.10987555,35.96562333,44.3133461,164.9973558,99.51468241,4.051016908,100.862125,47.83328234,117.5884474,0.455258174,34.0643032,82.89095241,20.97234495,87.80823591,0.002081949,103.8048507,45.88347254,107.6159837,74.76836834,0.254035509,77.26949047,29.35173846,95.22587232,58.58891804,15.4547168,33.17753929,17.26091231,34.0548077,39.49657513,81.35997677,20.3979296,48.07487261,41.86006355,82.24756438,29.750252,9.616054464,56.20986552,14.47159811,66.77411277,0.136061071,51.46746466,37.00052932,17.67879784,44.63461739,0.00112856,81.98776225,17.00134456,93.85153092,37.78689494,0.603026621,32.40032866,9.49114444,64.18028214,28.7967373,19.62498977,18.10677452,5.437916086,18.84453775,19.12313579,76.02788157,244.4764842,0.788044129,0.472280859,0.994871241,0.003206862,0.563681615,0.714562097,0.603030318,245.7368092,308.4920004,645.2176173,0.992306861,1.881274031,237.2873473,0.287066374,0.085018077,0.99843438,0.00120789,0.531020772,0.095021257,0.019580736,237.6594317,88.31533801,331.7659646,0.997651569,0.645622764,240.4302872,0.495677543,0.242727574,0.996938222,0.002055315,0.545179763,0.283144544,0.159527617,241.1686923,177.6552688,447.7512366,0.995407332,0.987851923,243.9654104,0.755547022,0.448243277,0.995089961,0.003081737,0.561327412,0.65687909,0.543303692,245.1692007,294.0218631,621.8145544,0.992634942,1.761510193,241.9489895,0.599342582,0.322105962,0.996206008,0.002467746,0.552088246,0.413813731,0.280800253,242.870438,223.1365958,512.7157263,0.994309012,1.24670223,244.8976083,0.819863323,0.497729112,0.994648615,0.003329865,0.565625005,0.773244382,0.669636863,246.2152007,323.083306,669.2338355,0.991972922,2.00850625,245.2312924,0.767113596,0.456753267,0.99503412,0.003112589,0.567167504,0.676991644,0.5641054,246.4551592,300.4808343,632.8605363,0.992551179,1.808264548 +UMLCP0043,L,CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,C16E12,92,0,-6.0002,36.00240004,186.4599,135.503026,0,0,135,53,82,0,40,0,13,0,0,0,0,0,0,0,9181.466101,9696.032112,10735.77084,10805.05257,10180.61076,10235.70283,10171.217,9578.758946,9613.707145,22302.62321,28378.87346,36606.9036,38313.68643,38552.27172,37732.2645,35798.88431,35941.02633,35127.57607,1026.106996,1040.440392,1985.573924,2429.748928,2243.8609,2610.169728,2274.178444,2098.529024,2428.549852,156.3759102,199.5156571,273.8969154,306.8178295,317.4072599,305.0200787,285.6124718,294.6402209,282.7896934,22645.88843,19845.14147,40999.47194,53271.13085,50192.01764,58968.29738,49783.94968,46838.64237,54747.00458,356.75,325.5,582.25,697,529.75,661.5,656.25,501,620.75,68.01086001,72.3584486,42.43387683,33.97815275,32.94696039,29.41293917,34.24652188,33.25957967,29.76379921,165.2046164,211.7826377,144.6913186,120.4832907,124.7646334,108.4260474,120.534964,124.7952303,108.7541055,7.600792563,7.764480537,7.848118277,7.640719899,7.261685761,7.500487724,7.657166478,7.286559111,7.518730192,1.158340076,1.488922814,1.082596504,0.964835942,1.027207961,0.876494479,0.961658154,1.023056323,0.875509887,167.7473217,148.0980706,162.0532488,167.5192794,162.4337141,169.4491304,167.6227262,162.6341749,169.4953702,2.642592593,2.429104478,2.301383399,2.191823899,1.714401294,1.900862069,2.20959596,1.739583333,1.921826625,2.25332503,-0.479255421,-1.408188597,1.151470456,-0.065393046,-1.024506747,1.058362893,-0.06421034,-0.932272494,4777.251339,243.0187472,-2097.719603,-279.2778629,376.7377076,481.4378953,-282.5288685,314.3570101,405.5908834,6261.377823,-744.1236905,-2135.552324,375.4906126,-1451.06908,1155.963547,342.8552966,-1324.231094,1044.338888,12.65771455,-0.067821137,-5.799792983,5.628480635,1.95707316,-3.165522124,4.900983016,1.516880194,-3.156049,27.49881192,-7.428524073,-7.439000565,8.720474633,-12.38201401,3.729960797,7.969240542,-11.30257898,3.347089621,154.241153,-47.69005495,-39.30632516,62.65388739,-76.8016169,16.11231669,57.14257491,-70.23811329,14.2506455,87.93333333,-0.341234568,-37.21209877,27.75703704,14.74148148,-17.15037037,24.21333333,11.90888889,-17.37012346,0.016691297,-0.003576533,-0.005565963,0.003620976,-2.12E-04,-0.002943985,0.003563511,-2.23E-04,-0.002886293,35.38704695,1.813572741,-8.291381831,-0.878232273,1.219215882,1.383442228,-0.951275651,1.091517396,1.255699329,46.38057647,-5.553161869,-8.440918276,1.18078809,-4.69601644,3.32173433,1.154394938,-4.598024633,3.233247331,0.093760849,-5.06E-04,-0.022924083,0.017699625,0.00633357,-0.009096328,0.016501626,0.005266945,-0.00977105,0.203694903,-0.055436747,-0.029403164,0.027422876,-0.040071243,0.010718278,0.02683246,-0.039245066,0.010362507,1.142527059,-0.355895932,-0.155360969,0.197024803,-0.248548922,0.046299761,0.192399242,-0.243882338,0.044119646,0.651358025,-0.002546527,-0.147083394,0.08728628,0.04770706,-0.049282673,0.081526375,0.041350309,-0.053777472,-0.214275326,-0.333464978,0.216937987,-0.012678942,-0.176378444,0.213495184,-0.013357415,-0.17292201,0.051249621,-0.234305559,-0.024817902,0.034453733,0.039094594,-0.02688203,0.030845111,0.035484717,-0.119730333,-0.181992526,0.025458676,-0.101249635,0.071619082,0.02488962,-0.099136858,0.069711236,-0.005398073,-0.244495259,0.188774152,0.067550264,-0.097016272,0.175996981,0.056174248,-0.104212469,-0.272155788,-0.144349043,0.134627209,-0.196721872,0.052619275,0.131728675,-0.19266592,0.050872685,-0.311498909,-0.135980122,0.172446509,-0.217543138,0.040523995,0.168397974,-0.213458697,0.038615843,-0.003909565,-0.225810367,0.134006609,0.073242453,-0.075661421,0.125163692,0.063483226,-0.082562078,1.232515248,1.741344903,0.934753278,0.559225739,1.205284885,0.969995243,0.605023011,1.233535986,1.091493797,1.383154084,1.062242193,0.866665765,0.947781402,1.071141639,0.880226173,0.958878862,1.531610546,1.260275777,0.944550315,1.198911723,0.854665089,0.941676488,1.190879155,0.854480281,0.93462528,1.66563782,0.994234827,0.457449408,1.1612017,1.035645212,0.511879293,1.197492307,1.825065176,1.256335026,0.830149736,1.325425182,0.85146843,0.828677632,1.313834414,0.850678842,1.885991278,1.271140596,0.799200885,1.332656874,0.86260216,0.799873195,1.322498784,0.863072858,0.93252464,1.492259677,0.930861716,0.419190767,1.044384461,0.969742918,0.464307714,1.081578595,1691.892383,847.5711915,1334.762991,1695.019741,31.98150456,709.7827129,3.25,0.125190213,0.002362079,-11.01298129,990.333669,18.68554092,36.55962221,1692.651565,847.9460088,1335.37672,1695.769736,31.9956554,709.7827129,3.240452528,0.12475063,0.002353785,-11.03162401,989.2706658,18.66548426,36.55393024,2366.287765,1180.550418,1883.461799,2361.29657,44.55276547,709.7827129,-5.186928215,0.131625363,0.002483497,-10.74731643,1002.435766,18.91388239,36.62399684,1693.448344,848.3393882,1336.020859,1696.556873,32.01050704,709.7827129,3.230432403,0.124289824,0.002345091,-11.05123748,988.1770534,18.64485006,36.54806799,3080.723733,1533.326954,2467.998069,3067.184844,57.87141215,709.7827129,-14.06982544,0.261698898,0.004937715,-7.104971604,844.5469181,15.93484751,35.71564155,1771.413472,886.8321084,1399.121722,1773.579283,33.46376006,709.7827129,2.250744416,0.081756529,0.001542576,-13.27125089,952.4391992,17.97055093,36.35283924,1383.842876,694.5053454,1085.870926,1388.728391,26.20242247,694.5053454,7.480952381,0.37842551,0.007140104,-5.150200945,901.6631384,17.01251204,36.06247724,0,11.99609374,16.00740153,-0.418464377,0.101272874,3.7196542,7.626348894,52,134,134,134,52,0,0,0,0,0,112.634974,3.551839865,3.502258871,3.494053736,3.47735347,3.451502838,3.418753244,3.383288721,3.345117242,1.953231893,1.896557124,1.806987937,1.740400465,1.729435112,1.712793803,1.694960258,1.675956081,3.575825672,3.503181137,3.394322653,3.382561939,3.365751213,3.339882181,3.305880862,3.266376002,1.895809529,1.840253475,1.77444441,1.764946786,1.752661242,1.733043437,1.704994737,1.671146828,3.699356122,3.640550499,3.6149875,3.599473028,3.576435309,3.550041045,3.522027096,3.485260754,1.721188999,1.654141585,1.549515457,1.510797819,1.496458292,1.473860574,1.444913244,1.414725519,3.595847233,3.522478088,3.407355295,3.361552497,3.346256518,3.322072048,3.291034819,3.258640301,1.859727911,1.80824882,1.787302328,1.773050486,1.752004334,1.728033928,1.702719448,1.669442882,3.756985911,3.696118168,3.638388666,3.625567674,3.608653168,3.588735872,3.559405239,3.521769453,1.666736302,1.59816768,1.494291323,1.479125052,1.463273265,1.43878895,1.406790763,1.370227232,4.591554102,3.879506323,3.862765103,3.835137146,3.79705488,3.749212106,3.692975001,3.639670654,1.791544296,1.720701015,1.608534123,1.47212187,1.467011504,1.455077583,1.435934707,1.410247465,0,0,0,0,0,26,14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,38.06244584,26.41421356,18.32411614,12.70710678,8.808504679,6.103553391,4.227475644,2.926776695,0.718159355,0.507965645,0.359296395,0.254142136,0.179765402,0.127157362,0.08994629,0.06362558,33.92335755,20.95153778,12.6682701,7.969946333,4.984324819,3.063926593,1.939969591,1.221213626,0.64006335,0.402914188,0.248397453,0.159398927,0.101720915,0.063831804,0.041275949,0.026548122,71.50732831,134.6999272,128.2823529,130.36,78.9838479,1043.424537,0.529683913,0.997777238,0.950239651,0.96562963,0.58506554,7.729070641,5.6592,207.2258,975.4715668,1544.860672,1950.943134,36.8102478,709.7827129,5.55E-17,1.05E-18,-198.3787231,2000609.408,37747.34732,76.8975007,4056,1,0,13,0,0,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,40,0,0,0,0,0,0,0,0,0,0,0,1,0,39,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.686836355,0,74.17861264,0,0,3.496917307,0,0,3.661749696,0,0,3.717502121,0,0.686836355,0,0,0,0,0,0,0,0,0,0,0,0,0,20.45168287,0,0,0,0,0,0,0,0,0,0,0,2.28158265,0,32.03980471,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.591756847,0,65.58685579,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.686836355,0,5.091339856,0,0,3.496917307,0,0,3.661749696,0,0,3.717502121,0,0.686836355,0,0,0,0,0,0,0,0,0,0,0,0,0,0.215324432,0,0,0,0,0,0,0,0,0,0,0,2.28158265,0,0.027042502,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.591756847,0,5.091339856,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.686836355,0,8.591756847,0,0,3.496917307,0,0,3.661749696,0,0,3.717502121,0,0.686836355,0,0,0,0,0,0,0,0,0,0,0,0,0,0.690661588,0,0,0,0,0,0,0,0,0,0,0,2.28158265,0,1.43541817,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.591756847,0,5.682436434,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,108.5,2.047169811,0.690661588,8.591756847,-0.092996344,0.027042502,16.42882958,1.472957498,2.591756847,52.92039057,1.472957498,2.591756847,52.92039057,24.33329,0.45912,0,0.04088,0.53086,0.88805,0.43168,0.53086,0.87716,0.09919,0,-0.09919,0.01089,0.517,0.19729,0,0.03425,0,0,32.25,0.60849,32.25,0.60849,0,0,-32.25,-0.60849,0,0,72.38723,1.3658,96.13953,23.7523,0.44816,20.03134,0.37795,26.41421,6.38288,0.12043,-2.10E-04,0,-2.10E-04,0,0,52.13,13,13,13,13,1,1,1,1.281985193,1.699432087,2.546188487,3.015642546,3.339956131,3.628160079,173.0680011,229.4233317,343.7354458,407.1117437,450.8940777,489.8016107,0.181152833,0.24014079,0.359792968,0.426129875,0.471957491,0.51268258,5.794830404,5.37738351,4.53062711,4.061173051,3.736859466,3.448655518,0.181427825,0.240505326,0.360339138,0.426776745,0.472673928,0.513460838,11.88037114,16.40583914,19.07805174,21.22078766,23.08855409,24.52271163,194.4304341,162.4628281,154.3013413,138.8518954,125.8050601,114.643679,53,52,52,53,0,16,4.43,6.5077,0,2.246771006,0,0,0,0,0,0,0,0,0,0.756307797,6.392742926,0,0,0,0,0,0,0.259,2.917,3.087,2.602,0.402,24.832,51,50,49,48,47,46,45,44,43,528,3.970291914,3.951243719,3.931825633,3.912023005,3.891820298,3.871201011,3.850147602,3.828641396,3.80666249,3.784189634,6.270988432,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,50,0.961538462,52,1,3,26,52,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.009615385,0.004357298,0.0025,0.001632653,0.001157407,8.68E-04,6.79E-04,5.49E-04,4.55E-04,3.84E-04,0.028034285,975.4715668,1544.860672,1950.943134,36.8102478,709.7827129,5.55E-17,1.05E-18,-198.3787231,2000609.408,37747.34732,76.8975007,130.99,814.6687908,6.727920455,5.332718793,6.013715156,6.698268054,7.383368147,8.069968149,8.756682421,9.44422602,10.13177784,10.81987828,177.6506029,4.65396035,0,5.733341277,0,6.924612396,0,8.167635715,0,9.440260908,9.775085838,770.5755427,5.707966983,104.8284271,1.977894851,38.33051957,38.33051957,0,24804,50,5.399,206,1.24151967,2.125017986,2.865836087,3.706647601,4.88053197,5.993487047,7.246776638,8.219890683,9.59407327,10.73922212,103.2944496,99.58121142,118.4393192,152.8333563,171.1930168,239.5956532,273.2202528,278.9187581,365.7180356,396.096568,286.5827202,327.1173847,383.6508456,534.9195213,587.1013022,798.9855258,972.2525057,971.8332974,1229.068809,1418.679073,9.757356413,16.76713949,22.05892339,27.33122624,36.95365261,46.44576309,53.20120469,62.35866831,74.10055648,79.0317953,1.95075458,2.402831441,2.962463076,4.20848664,4.57258526,6.188696712,7.760902629,7.608237449,9.583400585,11.35010487,182.3412479,341.3711536,476.2203132,588.9602792,818.4248676,992.6539404,1168.592889,1380.176337,1598.860718,1736.151152,3.180497662,5.026102174,6.645740967,6.91781429,9.754297409,14.10487656,13.15350446,16.51289551,22.16074185,19.63364547,0.460086948,0.592149018,0.704787189,0.972008091,1.121478386,1.4838921,1.800418292,1.873284626,2.309756101,2.645138817,1584.091318,9020.5964,77.27382149,295.8609608,-1684.778073,-81.47991945,1288.230357,10705.37447,158.7537409,0.842623154,4.798311373,0.04110414,0.157376846,-0.896181298,-0.043341483,2978.016082,16958.29076,145.2710968,556.2044874,-3167.302377,-153.1783602,0.036848302,0.069079998,0.829832804,3.600195457,1659.219135,220.7331431,0.882585773,0.117414227,4056.876655,63.6936155,15.94889509,4882.194081,69.87269911,16.96439385,7492.080993,86.5568079,19.56744648,9.753900418,9.753900418,258497.124,258342.0685,282.6397434,1.000600194,914.5816539,914.0330566,14.73532213,32.10710897,63.48197392,0.977193711,32.77116981,39.98315641,40.0357272,136.6960856,77.36034698,4.038329629,106.3353209,42.86271193,100.1518682,0.310610645,38.87726488,67.71824405,21.19009244,69.55219408,0.001572558,105.5205466,33.28010213,116.0274167,58.63682221,0.312584325,71.65442444,20.49722696,94.5002214,45.55984847,19.82221917,25.67586791,11.99563365,27.24568335,30.46534786,93.88311181,2.775655975,44.55004531,4.153913879,28.47205945,0.547199792,4.868920388,9.644649625,0.45036554,16.7142473,0.002188527,41.49552628,3.620273052,9.620208659,12.18492275,5.08E-04,16.66386046,1.064929417,42.70685818,9.415878009,0.415802363,5.204234957,0.324107037,15.47280666,6.568891308,17.13708,4.480640555,0.230400095,4.634445015,4.06347043,31.72429333,8.807740368,36.00793577,8.555285533,33.53598179,5.683802145,2.454740649,28.92205551,3.235653436,27.02435902,0.022799295,28.16301805,12.83898927,7.727951767,20.10726924,3.58E-04,27.92558406,4.536929165,40.57680886,16.56389701,0.24377716,10.78528,1.955765153,23.39009586,12.09654786,13.41715165,6.412393518,1.059861369,6.687887438,7.694886503,33.45458186,31.21780076,44.55717693,46.85945373,130.3563473,68.92835613,5.556552373,101.011281,38.24071516,97.72753893,0.27674909,46.69098012,62.49952691,21.63396946,65.35264236,0.00156514,112.8231456,30.21369474,124.7586865,54.99361736,0.417672323,66.01729731,18.38306281,96.2539567,42.54380088,22.63216618,24.78995128,10.74592342,26.29474416,28.37066941,103.2865674,12.89562461,32.76355656,9.895349493,41.70607423,12.34021483,1.988370981,42.09969291,6.893842361,34.85290112,0.049520977,23.21938505,20.29654708,8.305105964,26.53007013,3.73E-04,34.22395746,7.840967395,42.44714244,22.24754243,0.205805491,16.82953686,3.813954725,29.38514378,16.56488896,12.12263637,8.280778953,2.102205983,8.699177645,10.68061463,35.37019098,39.80641372,42.895108,55.76032525,185.6764273,112.8152251,5.146804176,129.2326882,62.45894019,131.6744761,0.452993604,45.4787,88.88094066,28.10707652,89.07753487,0.002198996,139.431274,45.89541813,150.8374621,74.77409712,0.376340065,99.88508641,29.32484235,126.216215,58.56495552,23.13015759,34.13507003,17.32310238,36.20351963,39.45777346,121.9094533,23.55068094,58.69477622,53.24946763,95.5014531,33.82366728,12.85446712,71.62563699,18.95248309,75.59466876,0.135779434,69.26367402,38.89542625,24.47991977,45.14986766,0.001382315,110.0358216,17.04226074,131.960027,37.89373946,0.911758948,39.68006044,9.505541478,84.89870063,28.85952693,29.48649753,18.4555097,5.534080214,19.63689152,19.15131169,113.1975177,354.8673699,0.785157738,0.468679492,0.996479184,0.002204749,0.567868481,0.712937986,0.598306291,356.1212072,445.3139075,932.0218106,0.994718776,1.879112758,339.9368085,0.283962361,0.0827684,0.998922342,8.34E-04,0.521089726,0.093333206,0.018688055,340.3035393,124.6887877,472.9818993,0.998383513,0.633110987,348.7525798,0.492779958,0.239771549,0.997903912,0.001410017,0.548467269,0.280987119,0.156773447,349.4851313,255.5973826,646.2892403,0.996855868,0.986227835,353.0664304,0.750818953,0.44339157,0.996629006,0.002119397,0.56211931,0.651963049,0.535559271,354.2606409,421.9685534,893.7674078,0.994943509,1.74964163,352.4426613,0.597910041,0.319894834,0.997402638,0.001692068,0.560134983,0.413600671,0.27895818,353.3604662,323.664861,744.4364476,0.996103958,1.252693834,355.1813143,0.816547613,0.493756174,0.996324447,0.00229051,0.568873676,0.771023263,0.66394366,356.4916181,465.7985964,965.4905918,0.994486671,2.003840599,355.1620575,0.763498026,0.452628895,0.996587538,0.002142381,0.568812039,0.674134035,0.55808494,356.3781844,432.2677209,911.3832595,0.994881307,1.801031014 diff --git a/databases/kv_database_v1.1.csv b/databases/kv_database_v1.1.csv new file mode 100644 index 0000000..b924b0f --- /dev/null +++ b/databases/kv_database_v1.1.csv @@ -0,0 +1,218 @@ +DATAID,ASSIGNMENT,STRING,STRING,STRING,STRING,STRING,STRING,STRING,STRING,STRING,TARGET,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT +DATAID,ASSIGNMENT,Compound Name,SMILES,Formula,Compound Group,CG2,CAS#,CID,Validated By,Notes,TARGET,nAcid,ALogP,ALogp2,AMR,apol,naAromAtom,nAromBond,nAtom,nHeavyAtom,nH,nB,nC,nN,nO,nS,nP,nF,nCl,nBr,nI,nX,ATS0m,ATS1m,ATS2m,ATS3m,ATS4m,ATS5m,ATS6m,ATS7m,ATS8m,ATS0v,ATS1v,ATS2v,ATS3v,ATS4v,ATS5v,ATS6v,ATS7v,ATS8v,ATS0e,ATS1e,ATS2e,ATS3e,ATS4e,ATS5e,ATS6e,ATS7e,ATS8e,ATS0p,ATS1p,ATS2p,ATS3p,ATS4p,ATS5p,ATS6p,ATS7p,ATS8p,ATS0i,ATS1i,ATS2i,ATS3i,ATS4i,ATS5i,ATS6i,ATS7i,ATS8i,ATS0s,ATS1s,ATS2s,ATS3s,ATS4s,ATS5s,ATS6s,ATS7s,ATS8s,AATS0m,AATS1m,AATS2m,AATS3m,AATS4m,AATS5m,AATS6m,AATS7m,AATS8m,AATS0v,AATS1v,AATS2v,AATS3v,AATS4v,AATS5v,AATS6v,AATS7v,AATS8v,AATS0e,AATS1e,AATS2e,AATS3e,AATS4e,AATS5e,AATS6e,AATS7e,AATS8e,AATS0p,AATS1p,AATS2p,AATS3p,AATS4p,AATS5p,AATS6p,AATS7p,AATS8p,AATS0i,AATS1i,AATS2i,AATS3i,AATS4i,AATS5i,AATS6i,AATS7i,AATS8i,AATS0s,AATS1s,AATS2s,AATS3s,AATS4s,AATS5s,AATS6s,AATS7s,AATS8s,ATSC0c,ATSC1c,ATSC2c,ATSC3c,ATSC4c,ATSC5c,ATSC6c,ATSC7c,ATSC8c,ATSC0m,ATSC1m,ATSC2m,ATSC3m,ATSC4m,ATSC5m,ATSC6m,ATSC7m,ATSC8m,ATSC0v,ATSC1v,ATSC2v,ATSC3v,ATSC4v,ATSC5v,ATSC6v,ATSC7v,ATSC8v,ATSC0e,ATSC1e,ATSC2e,ATSC3e,ATSC4e,ATSC5e,ATSC6e,ATSC7e,ATSC8e,ATSC0p,ATSC1p,ATSC2p,ATSC3p,ATSC4p,ATSC5p,ATSC6p,ATSC7p,ATSC8p,ATSC0i,ATSC1i,ATSC2i,ATSC3i,ATSC4i,ATSC5i,ATSC6i,ATSC7i,ATSC8i,ATSC0s,ATSC1s,ATSC2s,ATSC3s,ATSC4s,ATSC5s,ATSC6s,ATSC7s,ATSC8s,AATSC0c,AATSC1c,AATSC2c,AATSC3c,AATSC4c,AATSC5c,AATSC6c,AATSC7c,AATSC8c,AATSC0m,AATSC1m,AATSC2m,AATSC3m,AATSC4m,AATSC5m,AATSC6m,AATSC7m,AATSC8m,AATSC0v,AATSC1v,AATSC2v,AATSC3v,AATSC4v,AATSC5v,AATSC6v,AATSC7v,AATSC8v,AATSC0e,AATSC1e,AATSC2e,AATSC3e,AATSC4e,AATSC5e,AATSC6e,AATSC7e,AATSC8e,AATSC0p,AATSC1p,AATSC2p,AATSC3p,AATSC4p,AATSC5p,AATSC6p,AATSC7p,AATSC8p,AATSC0i,AATSC1i,AATSC2i,AATSC3i,AATSC4i,AATSC5i,AATSC6i,AATSC7i,AATSC8i,AATSC0s,AATSC1s,AATSC2s,AATSC3s,AATSC4s,AATSC5s,AATSC6s,AATSC7s,AATSC8s,MATS1c,MATS2c,MATS3c,MATS4c,MATS5c,MATS6c,MATS7c,MATS8c,MATS1m,MATS2m,MATS3m,MATS4m,MATS5m,MATS6m,MATS7m,MATS8m,MATS1v,MATS2v,MATS3v,MATS4v,MATS5v,MATS6v,MATS7v,MATS8v,MATS1e,MATS2e,MATS3e,MATS4e,MATS5e,MATS6e,MATS7e,MATS8e,MATS1p,MATS2p,MATS3p,MATS4p,MATS5p,MATS6p,MATS7p,MATS8p,MATS1i,MATS2i,MATS3i,MATS4i,MATS5i,MATS6i,MATS7i,MATS8i,MATS1s,MATS2s,MATS3s,MATS4s,MATS5s,MATS6s,MATS7s,MATS8s,GATS1c,GATS2c,GATS3c,GATS4c,GATS5c,GATS6c,GATS7c,GATS8c,GATS1m,GATS2m,GATS3m,GATS4m,GATS5m,GATS6m,GATS7m,GATS8m,GATS1v,GATS2v,GATS3v,GATS4v,GATS5v,GATS6v,GATS7v,GATS8v,GATS1e,GATS2e,GATS3e,GATS4e,GATS5e,GATS6e,GATS7e,GATS8e,GATS1p,GATS2p,GATS3p,GATS4p,GATS5p,GATS6p,GATS7p,GATS8p,GATS1i,GATS2i,GATS3i,GATS4i,GATS5i,GATS6i,GATS7i,GATS8i,GATS1s,GATS2s,GATS3s,GATS4s,GATS5s,GATS6s,GATS7s,GATS8s,SpAbs_DzZ,SpMax_DzZ,SpDiam_DzZ,SpAD_DzZ,SpMAD_DzZ,EE_DzZ,SM1_DzZ,VE1_DzZ,VE2_DzZ,VE3_DzZ,VR1_DzZ,VR2_DzZ,VR3_DzZ,SpAbs_Dzm,SpMax_Dzm,SpDiam_Dzm,SpAD_Dzm,SpMAD_Dzm,EE_Dzm,SM1_Dzm,VE1_Dzm,VE2_Dzm,VE3_Dzm,VR1_Dzm,VR2_Dzm,VR3_Dzm,SpAbs_Dzv,SpMax_Dzv,SpDiam_Dzv,SpAD_Dzv,SpMAD_Dzv,EE_Dzv,SM1_Dzv,VE1_Dzv,VE2_Dzv,VE3_Dzv,VR1_Dzv,VR2_Dzv,VR3_Dzv,SpAbs_Dze,SpMax_Dze,SpDiam_Dze,SpAD_Dze,SpMAD_Dze,EE_Dze,SM1_Dze,VE1_Dze,VE2_Dze,VE3_Dze,VR1_Dze,VR2_Dze,VR3_Dze,SpAbs_Dzp,SpMax_Dzp,SpDiam_Dzp,SpAD_Dzp,SpMAD_Dzp,EE_Dzp,SM1_Dzp,VE1_Dzp,VE2_Dzp,VE3_Dzp,VR1_Dzp,VR2_Dzp,VR3_Dzp,SpAbs_Dzi,SpMax_Dzi,SpDiam_Dzi,SpAD_Dzi,SpMAD_Dzi,EE_Dzi,SM1_Dzi,VE1_Dzi,VE2_Dzi,VE3_Dzi,VR1_Dzi,VR2_Dzi,VR3_Dzi,SpAbs_Dzs,SpMax_Dzs,SpDiam_Dzs,SpAD_Dzs,SpMAD_Dzs,EE_Dzs,SM1_Dzs,VE1_Dzs,VE2_Dzs,VE3_Dzs,VR1_Dzs,VR2_Dzs,VR3_Dzs,nBase,BCUTw-1l,BCUTw-1h,BCUTc-1l,BCUTc-1h,BCUTp-1l,BCUTp-1h,nBonds,nBonds2,nBondsS,nBondsS2,nBondsS3,nBondsD,nBondsD2,nBondsT,nBondsQ,nBondsM,bpol,SpMax1_Bhm,SpMax2_Bhm,SpMax3_Bhm,SpMax4_Bhm,SpMax5_Bhm,SpMax6_Bhm,SpMax7_Bhm,SpMax8_Bhm,SpMin1_Bhm,SpMin2_Bhm,SpMin3_Bhm,SpMin4_Bhm,SpMin5_Bhm,SpMin6_Bhm,SpMin7_Bhm,SpMin8_Bhm,SpMax1_Bhv,SpMax2_Bhv,SpMax3_Bhv,SpMax4_Bhv,SpMax5_Bhv,SpMax6_Bhv,SpMax7_Bhv,SpMax8_Bhv,SpMin1_Bhv,SpMin2_Bhv,SpMin3_Bhv,SpMin4_Bhv,SpMin5_Bhv,SpMin6_Bhv,SpMin7_Bhv,SpMin8_Bhv,SpMax1_Bhe,SpMax2_Bhe,SpMax3_Bhe,SpMax4_Bhe,SpMax5_Bhe,SpMax6_Bhe,SpMax7_Bhe,SpMax8_Bhe,SpMin1_Bhe,SpMin2_Bhe,SpMin3_Bhe,SpMin4_Bhe,SpMin5_Bhe,SpMin6_Bhe,SpMin7_Bhe,SpMin8_Bhe,SpMax1_Bhp,SpMax2_Bhp,SpMax3_Bhp,SpMax4_Bhp,SpMax5_Bhp,SpMax6_Bhp,SpMax7_Bhp,SpMax8_Bhp,SpMin1_Bhp,SpMin2_Bhp,SpMin3_Bhp,SpMin4_Bhp,SpMin5_Bhp,SpMin6_Bhp,SpMin7_Bhp,SpMin8_Bhp,SpMax1_Bhi,SpMax2_Bhi,SpMax3_Bhi,SpMax4_Bhi,SpMax5_Bhi,SpMax6_Bhi,SpMax7_Bhi,SpMax8_Bhi,SpMin1_Bhi,SpMin2_Bhi,SpMin3_Bhi,SpMin4_Bhi,SpMin5_Bhi,SpMin6_Bhi,SpMin7_Bhi,SpMin8_Bhi,SpMax1_Bhs,SpMax2_Bhs,SpMax3_Bhs,SpMax4_Bhs,SpMax5_Bhs,SpMax6_Bhs,SpMax7_Bhs,SpMax8_Bhs,SpMin1_Bhs,SpMin2_Bhs,SpMin3_Bhs,SpMin4_Bhs,SpMin5_Bhs,SpMin6_Bhs,SpMin7_Bhs,SpMin8_Bhs,C1SP1,C2SP1,C1SP2,C2SP2,C3SP2,C1SP3,C2SP3,C3SP3,C4SP3,SCH-3,SCH-4,SCH-5,SCH-6,SCH-7,VCH-3,VCH-4,VCH-5,VCH-6,VCH-7,SC-3,SC-4,SC-5,SC-6,VC-3,VC-4,VC-5,VC-6,SPC-4,SPC-5,SPC-6,VPC-4,VPC-5,VPC-6,SP-0,SP-1,SP-2,SP-3,SP-4,SP-5,SP-6,SP-7,ASP-0,ASP-1,ASP-2,ASP-3,ASP-4,ASP-5,ASP-6,ASP-7,VP-0,VP-1,VP-2,VP-3,VP-4,VP-5,VP-6,VP-7,AVP-0,AVP-1,AVP-2,AVP-3,AVP-4,AVP-5,AVP-6,AVP-7,Sv,Sse,Spe,Sare,Sp,Si,Mv,Mse,Mpe,Mare,Mp,Mi,CrippenLogP,CrippenMR,SpMax_Dt,SpDiam_Dt,SpAD_Dt,SpMAD_Dt,EE_Dt,VE1_Dt,VE2_Dt,VE3_Dt,VR1_Dt,VR2_Dt,VR3_Dt,ECCEN,nHBd,nwHBd,nHBa,nwHBa,nHBint2,nHBint3,nHBint4,nHBint5,nHBint6,nHBint7,nHBint8,nHBint9,nHBint10,nHsOH,nHdNH,nHsSH,nHsNH2,nHssNH,nHaaNH,nHsNH3p,nHssNH2p,nHsssNHp,nHtCH,nHdCH2,nHdsCH,nHaaCH,nHCHnX,nHCsats,nHCsatu,nHAvin,nHother,nHmisc,nsLi,nssBe,nssssBem,nsBH2,nssBH,nsssB,nssssBm,nsCH3,ndCH2,nssCH2,ntCH,ndsCH,naaCH,nsssCH,nddC,ntsC,ndssC,naasC,naaaC,nssssC,nsNH3p,nsNH2,nssNH2p,ndNH,nssNH,naaNH,ntN,nsssNHp,ndsN,naaN,nsssN,nddsN,naasN,nssssNp,nsOH,ndO,nssO,naaO,naOm,nsOm,nsF,nsSiH3,nssSiH2,nsssSiH,nssssSi,nsPH2,nssPH,nsssP,ndsssP,nddsP,nsssssP,nsSH,ndS,nssS,naaS,ndssS,nddssS,nssssssS,nSm,nsCl,nsGeH3,nssGeH2,nsssGeH,nssssGe,nsAsH2,nssAsH,nsssAs,ndsssAs,nddsAs,nsssssAs,nsSeH,ndSe,nssSe,naaSe,ndssSe,nssssssSe,nddssSe,nsBr,nsSnH3,nssSnH2,nsssSnH,nssssSn,nsI,nsPbH3,nssPbH2,nsssPbH,nssssPb,SHBd,SwHBd,SHBa,SwHBa,SHBint2,SHBint3,SHBint4,SHBint5,SHBint6,SHBint7,SHBint8,SHBint9,SHBint10,SHsOH,SHdNH,SHsSH,SHsNH2,SHssNH,SHaaNH,SHsNH3p,SHssNH2p,SHsssNHp,SHtCH,SHdCH2,SHdsCH,SHaaCH,SHCHnX,SHCsats,SHCsatu,SHAvin,SHother,SHmisc,SsLi,SssBe,SssssBem,SsBH2,SssBH,SsssB,SssssBm,SsCH3,SdCH2,SssCH2,StCH,SdsCH,SaaCH,SsssCH,SddC,StsC,SdssC,SaasC,SaaaC,SssssC,SsNH3p,SsNH2,SssNH2p,SdNH,SssNH,SaaNH,StN,SsssNHp,SdsN,SaaN,SsssN,SddsN,SaasN,SssssNp,SsOH,SdO,SssO,SaaO,SaOm,SsOm,SsF,SsSiH3,SssSiH2,SsssSiH,SssssSi,SsPH2,SssPH,SsssP,SdsssP,SddsP,SsssssP,SsSH,SdS,SssS,SaaS,SdssS,SddssS,SssssssS,SSm,SsCl,SsGeH3,SssGeH2,SsssGeH,SssssGe,SsAsH2,SssAsH,SsssAs,SdsssAs,SddsAs,SsssssAs,SsSeH,SdSe,SssSe,SaaSe,SdssSe,SssssssSe,SddssSe,SsBr,SsSnH3,SssSnH2,SsssSnH,SssssSn,SsI,SsPbH3,SssPbH2,SsssPbH,SssssPb,minHBd,minwHBd,minHBa,minwHBa,minHBint2,minHBint3,minHBint4,minHBint5,minHBint6,minHBint7,minHBint8,minHBint9,minHBint10,minHsOH,minHdNH,minHsSH,minHsNH2,minHssNH,minHaaNH,minHsNH3p,minHssNH2p,minHsssNHp,minHtCH,minHdCH2,minHdsCH,minHaaCH,minHCHnX,minHCsats,minHCsatu,minHAvin,minHother,minHmisc,minsLi,minssBe,minssssBem,minsBH2,minssBH,minsssB,minssssBm,minsCH3,mindCH2,minssCH2,mintCH,mindsCH,minaaCH,minsssCH,minddC,mintsC,mindssC,minaasC,minaaaC,minssssC,minsNH3p,minsNH2,minssNH2p,mindNH,minssNH,minaaNH,mintN,minsssNHp,mindsN,minaaN,minsssN,minddsN,minaasN,minssssNp,minsOH,mindO,minssO,minaaO,minaOm,minsOm,minsF,minsSiH3,minssSiH2,minsssSiH,minssssSi,minsPH2,minssPH,minsssP,mindsssP,minddsP,minsssssP,minsSH,mindS,minssS,minaaS,mindssS,minddssS,minssssssS,minSm,minsCl,minsGeH3,minssGeH2,minsssGeH,minssssGe,minsAsH2,minssAsH,minsssAs,mindsssAs,minddsAs,minsssssAs,minsSeH,mindSe,minssSe,minaaSe,mindssSe,minssssssSe,minddssSe,minsBr,minsSnH3,minssSnH2,minsssSnH,minssssSn,minsI,minsPbH3,minssPbH2,minsssPbH,minssssPb,maxHBd,maxwHBd,maxHBa,maxwHBa,maxHBint2,maxHBint3,maxHBint4,maxHBint5,maxHBint6,maxHBint7,maxHBint8,maxHBint9,maxHBint10,maxHsOH,maxHdNH,maxHsSH,maxHsNH2,maxHssNH,maxHaaNH,maxHsNH3p,maxHssNH2p,maxHsssNHp,maxHtCH,maxHdCH2,maxHdsCH,maxHaaCH,maxHCHnX,maxHCsats,maxHCsatu,maxHAvin,maxHother,maxHmisc,maxsLi,maxssBe,maxssssBem,maxsBH2,maxssBH,maxsssB,maxssssBm,maxsCH3,maxdCH2,maxssCH2,maxtCH,maxdsCH,maxaaCH,maxsssCH,maxddC,maxtsC,maxdssC,maxaasC,maxaaaC,maxssssC,maxsNH3p,maxsNH2,maxssNH2p,maxdNH,maxssNH,maxaaNH,maxtN,maxsssNHp,maxdsN,maxaaN,maxsssN,maxddsN,maxaasN,maxssssNp,maxsOH,maxdO,maxssO,maxaaO,maxaOm,maxsOm,maxsF,maxsSiH3,maxssSiH2,maxsssSiH,maxssssSi,maxsPH2,maxssPH,maxsssP,maxdsssP,maxddsP,maxsssssP,maxsSH,maxdS,maxssS,maxaaS,maxdssS,maxddssS,maxssssssS,maxSm,maxsCl,maxsGeH3,maxssGeH2,maxsssGeH,maxssssGe,maxsAsH2,maxssAsH,maxsssAs,maxdsssAs,maxddsAs,maxsssssAs,maxsSeH,maxdSe,maxssSe,maxaaSe,maxdssSe,maxssssssSe,maxddssSe,maxsBr,maxsSnH3,maxssSnH2,maxsssSnH,maxssssSn,maxsI,maxsPbH3,maxssPbH2,maxsssPbH,maxssssPb,sumI,meanI,hmax,gmax,hmin,gmin,LipoaffinityIndex,MAXDN,MAXDP,DELS,MAXDN2,MAXDP2,DELS2,ETA_Alpha,ETA_AlphaP,ETA_dAlpha_A,ETA_dAlpha_B,ETA_Epsilon_1,ETA_Epsilon_2,ETA_Epsilon_3,ETA_Epsilon_4,ETA_Epsilon_5,ETA_dEpsilon_A,ETA_dEpsilon_B,ETA_dEpsilon_C,ETA_dEpsilon_D,ETA_Psi_1,ETA_dPsi_A,ETA_dPsi_B,ETA_Shape_P,ETA_Shape_Y,ETA_Shape_X,ETA_Beta,ETA_BetaP,ETA_Beta_s,ETA_BetaP_s,ETA_Beta_ns,ETA_BetaP_ns,ETA_dBeta,ETA_dBetaP,ETA_Beta_ns_d,ETA_BetaP_ns_d,ETA_Eta,ETA_EtaP,ETA_Eta_R,ETA_Eta_F,ETA_EtaP_F,ETA_Eta_L,ETA_EtaP_L,ETA_Eta_R_L,ETA_Eta_F_L,ETA_EtaP_F_L,ETA_Eta_B,ETA_EtaP_B,ETA_Eta_B_RC,ETA_EtaP_B_RC,FMF,fragC,nHBAcc,nHBAcc2,nHBAcc3,nHBAcc_Lipinski,nHBDon,nHBDon_Lipinski,HybRatio,IC0,IC1,IC2,IC3,IC4,IC5,TIC0,TIC1,TIC2,TIC3,TIC4,TIC5,SIC0,SIC1,SIC2,SIC3,SIC4,SIC5,CIC0,CIC1,CIC2,CIC3,CIC4,CIC5,BIC0,BIC1,BIC2,BIC3,BIC4,BIC5,MIC0,MIC1,MIC2,MIC3,MIC4,MIC5,ZMIC0,ZMIC1,ZMIC2,ZMIC3,ZMIC4,ZMIC5,Kier1,Kier2,Kier3,nAtomLC,nAtomP,nAtomLAC,MLogP,McGowan_Volume,MDEC-11,MDEC-12,MDEC-13,MDEC-14,MDEC-22,MDEC-23,MDEC-24,MDEC-33,MDEC-34,MDEC-44,MDEO-11,MDEO-12,MDEO-22,MDEN-11,MDEN-12,MDEN-13,MDEN-22,MDEN-23,MDEN-33,MLFER_A,MLFER_BH,MLFER_BO,MLFER_S,MLFER_E,MLFER_L,MPC2,MPC3,MPC4,MPC5,MPC6,MPC7,MPC8,MPC9,MPC10,TPC,piPC1,piPC2,piPC3,piPC4,piPC5,piPC6,piPC7,piPC8,piPC9,piPC10,TpiPC,R_TpiPCTPC,PetitjeanNumber,nRing,n3Ring,n4Ring,n5Ring,n6Ring,n7Ring,n8Ring,n9Ring,n10Ring,n11Ring,n12Ring,nG12Ring,nFRing,nF4Ring,nF5Ring,nF6Ring,nF7Ring,nF8Ring,nF9Ring,nF10Ring,nF11Ring,nF12Ring,nFG12Ring,nTRing,nT4Ring,nT5Ring,nT6Ring,nT7Ring,nT8Ring,nT9Ring,nT10Ring,nT11Ring,nT12Ring,nTG12Ring,nHeteroRing,n3HeteroRing,n4HeteroRing,n5HeteroRing,n6HeteroRing,n7HeteroRing,n8HeteroRing,n9HeteroRing,n10HeteroRing,n11HeteroRing,n12HeteroRing,nG12HeteroRing,nFHeteroRing,nF4HeteroRing,nF5HeteroRing,nF6HeteroRing,nF7HeteroRing,nF8HeteroRing,nF9HeteroRing,nF10HeteroRing,nF11HeteroRing,nF12HeteroRing,nFG12HeteroRing,nTHeteroRing,nT4HeteroRing,nT5HeteroRing,nT6HeteroRing,nT7HeteroRing,nT8HeteroRing,nT9HeteroRing,nT10HeteroRing,nT11HeteroRing,nT12HeteroRing,nTG12HeteroRing,nRotB,RotBFrac,nRotBt,RotBtFrac,LipinskiFailures,topoRadius,topoDiameter,topoShape,GGI1,GGI2,GGI3,GGI4,GGI5,GGI6,GGI7,GGI8,GGI9,GGI10,JGI1,JGI2,JGI3,JGI4,JGI5,JGI6,JGI7,JGI8,JGI9,JGI10,JGT,SpMax_D,SpDiam_D,SpAD_D,SpMAD_D,EE_D,VE1_D,VE2_D,VE3_D,VR1_D,VR2_D,VR3_D,TopoPSA,VABC,VAdjMat,MWC2,MWC3,MWC4,MWC5,MWC6,MWC7,MWC8,MWC9,MWC10,TWC,SRW2,SRW3,SRW4,SRW5,SRW6,SRW7,SRW8,SRW9,SRW10,TSRW,MW,AMW,WTPT-1,WTPT-2,WTPT-3,WTPT-4,WTPT-5,WPATH,WPOL,XLogP,Zagreb,TDB1u,TDB2u,TDB3u,TDB4u,TDB5u,TDB6u,TDB7u,TDB8u,TDB9u,TDB10u,TDB1m,TDB2m,TDB3m,TDB4m,TDB5m,TDB6m,TDB7m,TDB8m,TDB9m,TDB10m,TDB1v,TDB2v,TDB3v,TDB4v,TDB5v,TDB6v,TDB7v,TDB8v,TDB9v,TDB10v,TDB1e,TDB2e,TDB3e,TDB4e,TDB5e,TDB6e,TDB7e,TDB8e,TDB9e,TDB10e,TDB1p,TDB2p,TDB3p,TDB4p,TDB5p,TDB6p,TDB7p,TDB8p,TDB9p,TDB10p,TDB1i,TDB2i,TDB3i,TDB4i,TDB5i,TDB6i,TDB7i,TDB8i,TDB9i,TDB10i,TDB1s,TDB2s,TDB3s,TDB4s,TDB5s,TDB6s,TDB7s,TDB8s,TDB9s,TDB10s,TDB1r,TDB2r,TDB3r,TDB4r,TDB5r,TDB6r,TDB7r,TDB8r,TDB9r,TDB10r,PPSA-1,PPSA-2,PPSA-3,PNSA-1,PNSA-2,PNSA-3,DPSA-1,DPSA-2,DPSA-3,FPSA-1,FPSA-2,FPSA-3,FNSA-1,FNSA-2,FNSA-3,WPSA-1,WPSA-2,WPSA-3,WNSA-1,WNSA-2,WNSA-3,RPCG,RNCG,RPCS,RNCS,THSA,TPSA,RHSA,RPSA,GRAV-1,GRAV-2,GRAV-3,GRAVH-1,GRAVH-2,GRAVH-3,GRAV-4,GRAV-5,GRAV-6,LOBMAX,LOBMIN,MOMI-X,MOMI-Y,MOMI-Z,MOMI-XY,MOMI-XZ,MOMI-YZ,MOMI-R,geomRadius,geomDiameter,geomShape,RDF10u,RDF15u,RDF20u,RDF25u,RDF30u,RDF35u,RDF40u,RDF45u,RDF50u,RDF55u,RDF60u,RDF65u,RDF70u,RDF75u,RDF80u,RDF85u,RDF90u,RDF95u,RDF100u,RDF105u,RDF110u,RDF115u,RDF120u,RDF125u,RDF130u,RDF135u,RDF140u,RDF145u,RDF150u,RDF155u,RDF10m,RDF15m,RDF20m,RDF25m,RDF30m,RDF35m,RDF40m,RDF45m,RDF50m,RDF55m,RDF60m,RDF65m,RDF70m,RDF75m,RDF80m,RDF85m,RDF90m,RDF95m,RDF100m,RDF105m,RDF110m,RDF115m,RDF120m,RDF125m,RDF130m,RDF135m,RDF140m,RDF145m,RDF150m,RDF155m,RDF10v,RDF15v,RDF20v,RDF25v,RDF30v,RDF35v,RDF40v,RDF45v,RDF50v,RDF55v,RDF60v,RDF65v,RDF70v,RDF75v,RDF80v,RDF85v,RDF90v,RDF95v,RDF100v,RDF105v,RDF110v,RDF115v,RDF120v,RDF125v,RDF130v,RDF135v,RDF140v,RDF145v,RDF150v,RDF155v,RDF10e,RDF15e,RDF20e,RDF25e,RDF30e,RDF35e,RDF40e,RDF45e,RDF50e,RDF55e,RDF60e,RDF65e,RDF70e,RDF75e,RDF80e,RDF85e,RDF90e,RDF95e,RDF100e,RDF105e,RDF110e,RDF115e,RDF120e,RDF125e,RDF130e,RDF135e,RDF140e,RDF145e,RDF150e,RDF155e,RDF10p,RDF15p,RDF20p,RDF25p,RDF30p,RDF35p,RDF40p,RDF45p,RDF50p,RDF55p,RDF60p,RDF65p,RDF70p,RDF75p,RDF80p,RDF85p,RDF90p,RDF95p,RDF100p,RDF105p,RDF110p,RDF115p,RDF120p,RDF125p,RDF130p,RDF135p,RDF140p,RDF145p,RDF150p,RDF155p,RDF10i,RDF15i,RDF20i,RDF25i,RDF30i,RDF35i,RDF40i,RDF45i,RDF50i,RDF55i,RDF60i,RDF65i,RDF70i,RDF75i,RDF80i,RDF85i,RDF90i,RDF95i,RDF100i,RDF105i,RDF110i,RDF115i,RDF120i,RDF125i,RDF130i,RDF135i,RDF140i,RDF145i,RDF150i,RDF155i,RDF10s,RDF15s,RDF20s,RDF25s,RDF30s,RDF35s,RDF40s,RDF45s,RDF50s,RDF55s,RDF60s,RDF65s,RDF70s,RDF75s,RDF80s,RDF85s,RDF90s,RDF95s,RDF100s,RDF105s,RDF110s,RDF115s,RDF120s,RDF125s,RDF130s,RDF135s,RDF140s,RDF145s,RDF150s,RDF155s,L1u,L2u,L3u,P1u,P2u,E1u,E2u,E3u,Tu,Au,Vu,Ku,Du,L1m,L2m,L3m,P1m,P2m,E1m,E2m,E3m,Tm,Am,Vm,Km,Dm,L1v,L2v,L3v,P1v,P2v,E1v,E2v,E3v,Tv,Av,Vv,Kv,Dv,L1e,L2e,L3e,P1e,P2e,E1e,E2e,E3e,Te,Ae,Ve,Ke,De,L1p,L2p,L3p,P1p,P2p,E1p,E2p,E3p,Tp,Ap,Vp,Kp,Dp,L1i,L2i,L3i,P1i,P2i,E1i,E2i,E3i,Ti,Ai,Vi,Ki,Di,L1s,L2s,L3s,P1s,P2s,E1s,E2s,E3s,Ts,As,Vs,Ks,Ds +UMLKV0001,L,PROPANE,CCC,C3H8,Normal paraffin,Paraffins,74-98-6,1.777358532,PubChem,,0.1858,0,-0.1854,0.03437316,14.709,10.614344,0,0,11,3,8,0,3,0,0,0,0,0,0,0,0,0,440.920875,385.384946,272.447449,84.835296,9.144576,0,0,0,0,1519.220661,1764.926734,1788.469276,1061.424631,279.7536999,0,0,0,0,76.36926,72.022088,125.746084,123.32736,60.466176,0,0,0,0,11.92360324,14.48615448,17.03663343,12.01662072,4.001516144,0,0,0,0,1859.724284,1478.569094,2952.443397,3137.747111,1664.258868,0,0,0,0,18.25,21,28,24,9,0,0,0,0,40.08371591,38.5384946,15.13596939,4.713072,1.016064,0,0,0,0,138.1109692,176.4926734,99.35940425,58.96803508,31.08374443,0,0,0,0,6.94266,7.2022088,6.985893556,6.85152,6.718464,0,0,0,0,1.083963931,1.448615448,0.946479635,0.66759004,0.444612905,0,0,0,0,169.065844,147.8569094,164.0246332,174.3192839,184.917652,0,0,0,0,1.659090909,2.1,1.555555556,1.333333333,1,0,0,0,0,0.016466309,-0.004371275,-0.006718743,-0.001867207,0.004724071,0,0,0,0,264.1440196,-64.03491385,-113.0616448,-36.01963904,81.04418784,0,0,0,0,491.1870839,-119.0756567,-210.2429564,-66.98005689,150.705128,0,0,0,0,0.051744,-0.012544,-0.022148,-0.007056,0.015876,0,0,0,0,2.195834803,-0.532323589,-0.939883836,-0.299432019,0.673722042,0,0,0,0,11.9278095,-2.891590182,-5.105463916,-1.626519478,3.659668824,0,0,0,0,1.681818182,-0.756198347,-0.115702479,-0.433884298,0.464876033,0,0,0,0,0.001496937,-4.37E-04,-3.73E-04,-1.04E-04,5.25E-04,0,0,0,0,24.01309269,-6.403491385,-6.281202487,-2.001091058,9.00490976,0,0,0,0,44.65337126,-11.90756567,-11.68016424,-3.721114272,16.74501422,0,0,0,0,0.004704,-0.0012544,-0.001230444,-3.92E-04,0.001764,0,0,0,0,0.199621346,-0.053232359,-0.052215769,-0.016635112,0.074858005,0,0,0,0,1.084346318,-0.289159018,-0.283636884,-0.090362193,0.406629869,0,0,0,0,0.152892562,-0.075619835,-0.006427916,-0.024104683,0.051652893,0,0,0,0,-0.292014587,-0.249351468,-0.069297329,0.350647135,0,0,0,0,-0.266666667,-0.261574074,-0.083333333,0.375,0,0,0,0,-0.266666667,-0.261574074,-0.083333333,0.375,0,0,0,0,-0.266666667,-0.261574074,-0.083333333,0.375,0,0,0,0,-0.266666667,-0.261574074,-0.083333333,0.375,0,0,0,0,-0.266666667,-0.261574074,-0.083333333,0.375,0,0,0,0,-0.494594595,-0.042042042,-0.157657658,0.337837838,0,0,0,0,1.856277004,1.233090771,0.791199782,0,0,0,0,0,1.833333333,1.273148148,0.763888889,0,0,0,0,0,1.833333333,1.273148148,0.763888889,0,0,0,0,0,1.833333333,1.273148148,0.763888889,0,0,0,0,0,1.833333333,1.273148148,0.763888889,0,0,0,0,0,1.833333333,1.273148148,0.763888889,0,0,0,0,0,2.081081081,0.908408408,0.990990991,0,0,0,0,0,5.464101615,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,8.88E-16,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,5.464101615,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,8.88E-16,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,5.464101615,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,8.88E-16,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,5.464101615,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,8.88E-16,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,5.464101615,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,8.88E-16,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,5.464101615,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,8.88E-16,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,6.222559676,3.08350206,5.240909467,6.204041157,2.068013719,3.149527975,-0.055555556,2.22E-16,7.40E-17,-10.81309602,2000000,666666.6667,4.352597322,0,11.89,12.11001818,-0.171994663,0.048131794,4.47952521,5.145691073,2,10,10,10,2,0,0,0,0,0,8.745656,3.220275148,2.333552793,1.414969168,0.083923071,0.083923071,0.083923071,0.083923071,0.083923071,1.780393475,1.249629723,0.6870047,0.083923071,0.083923071,0.083923071,0.083923071,0.083923071,3.260348287,2.405454588,1.524658059,0.270913902,0.270913902,0.270913902,0.270913902,0.270913902,1.703143459,1.134540686,0.540035083,0.270913902,0.270913902,0.270913902,0.270913902,0.270913902,3.432855343,2.704236987,1.960935991,0.943918427,0.943918427,0.943918427,0.943918427,0.943918427,1.46650677,0.76031856,0.039447711,0.943918427,0.943918427,0.943918427,0.943918427,0.943918427,3.289684184,2.457539916,1.602975918,0.399277246,0.399277246,0.399277246,0.399277246,0.399277246,1.653126917,1.058262671,0.440978694,0.399277246,0.399277246,0.399277246,0.399277246,0.399277246,3.514468352,2.838982085,2.147918067,1.207644823,1.207644823,1.207644823,1.207644823,1.207644823,1.389755616,0.631337262,0.142658844,1.207644823,1.207644823,1.207644823,1.207644823,1.207644823,3.308664952,2.571572866,1.662518094,0.545454545,0.545454545,0.545454545,0.545454545,0.545454545,1.618258093,0.935209229,0.352924953,0.545454545,0.545454545,0.545454545,0.545454545,0.545454545,0,0,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.707106781,1.414213562,0.707106781,0,0,0,0,0,0.902368927,0.707106781,0.707106781,0,0,0,0,0,2.707106781,1.414213562,0.707106781,0,0,0,0,0,0.902368927,0.707106781,0.707106781,0,0,0,0,0,5.167311215,10.55134741,9.901960784,10.04,6.194217964,85.37032575,0.469755565,0.959213401,0.900178253,0.912727273,0.563110724,7.760938704,1.4163,15.965,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.6,0,0,0,0,0,0,0,0,0,0,0,4.25,0,1.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.125,0,1.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.125,0,1.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.5,1.833333333,0.2,2.125,0.2,1.25,2.4385,0.25,0.125,0.5,0.25,0.125,0.5,1.5,0.5,0,0,0.40909,0.7,0.40909,0.40909,0.7,0,0,0,0,0.71429,0,0,0.66667,0,0,1,0.33333,1,0.33333,0,0,-1,-0.33333,0,0,1.91421,0.63807,1.91421,0,0,1.41421,0.4714,1.41421,0,0,0,0,0,0,0,2,0,0,0,0,0,0,1,0.845350937,1.095795255,1.685815709,1.371321926,0.476983155,0,9.298860303,12.05374781,18.5439728,15.08454118,5.246814707,0,0.244361222,0.316755865,0.487310025,0.396400934,0.137879053,0,2.614080682,2.363636364,1.773615909,2.088109693,2.982448463,3.459431619,0.254475989,0.329867241,0.507481096,0.412809033,0.143586237,0,6.471372885,9.476704705,10.07134209,6.297416686,0.480715564,0,11.874996,9.926052014,11.00923303,9.122270324,2.861898931,0,3,2,0,3,0,3,1.79,0.5313,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,1.271,1,0,0,0,0,0,0,0,0,6,1.098612289,0.693147181,0,0,0,0,0,0,0,0,1.945910149,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,1,0,1,2,1,0.5,0,0,0,0,0,0,0,0,0,0.25,0,0,0,0,0,0,0,0,0,0.25,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,0,60.44441258,2.584962501,1.945910149,2.197224577,2.564949357,2.833213344,3.218875825,3.496507561,3.891820298,4.17438727,4.574710979,33.89759936,1.609437912,0,2.197224577,0,2.833213344,0,3.496507561,0,4.17438727,4.852030264,44.06260026,4.005690932,4.914213562,1.638071187,0,0,0,4,0,2.047,6,1.195,2.047204075,2.768478975,3.34519768,0,0,0,0,0,0,54.72300241,35.1644404,13.72294937,3.398934936,0,0,0,0,0,0,231.1647315,218.1101449,168.3421921,103.9812698,0,0,0,0,0,0,8.634380706,14.34603017,18.99257915,22.47459019,0,0,0,0,0,0,1.840998794,2.035798497,1.888914661,1.487318058,0,0,0,0,0,0,174.9618773,332.4286208,480.6644836,618.5861006,0,0,0,0,0,0,2.5833,3.301517836,3.752157088,3.34519768,0,0,0,0,0,0,0.3850335,0.438111269,0.418846355,0.342548242,0,0,0,0,0,0,273.6718591,51.80095677,6.435407566,170.891972,-32.34664932,-10.67650648,102.7798871,84.14760608,17.11191405,0.615596321,0.116520853,0.014475779,0.384403679,-0.072760416,-0.024015688,121.6646102,23.0288318,2.860949442,75.9723898,-14.38015035,-4.746388626,0.136879683,0.345521733,3.912252172,22.29742709,444.5638312,0,1,0,124.1631383,11.14285144,4.98881685,201.6594269,14.20068403,5.864164928,147.4440774,12.14265529,5.282941206,1.295899237,1.117508664,65.36692835,57.44276405,17.99509439,1.137948869,3.632485996,3.192134635,2.410142715,2.151830091,4.10168977,0.906140168,2.231204427,1.897122772,1.308513947,1.923286503,2.726657429,0.107692828,0.7111469,2.58E-07,1.80E-35,2.42E-85,6.30E-157,3.16E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.187249527,1.896951122,0.075251613,1.061718447,0.021614929,8.81E-04,0.005008666,1.81E-09,1.27E-37,1.71E-87,4.44E-159,2.22E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.604464297,1.896962907,0.265695857,1.236723133,0.206315187,0.008218477,0.052194159,1.89E-08,1.32E-36,1.78E-86,4.63E-158,2.32E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.106074973,1.897104038,1.211331824,1.870237783,2.431062698,0.096036641,0.633619085,2.29E-07,1.60E-35,2.16E-85,5.61E-157,2.81E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.890869158,1.896977901,0.414628394,1.357113632,0.442211591,0.017550467,0.113372688,4.11E-08,2.87E-36,3.87E-86,1.00E-157,5.04E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.694502476,1.897201476,1.692954669,2.120047368,3.968710057,0.15666068,1.037140919,3.76E-07,2.62E-35,3.54E-85,9.19E-157,4.61E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.244680156,1.693197337,0.555843911,1.727668885,0.820566786,0.032514466,0.211580896,7.66E-08,5.35E-36,7.21E-86,1.87E-157,9.40E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.660845015,0.656226043,0.4542153,0.599304727,0.236794744,0.587519551,0.416164922,0.545435918,2.771286357,2.142338877,5.408669834,0.398957091,1.549120391,1.189286656,0.295298004,0.114210473,0.743864321,0.184700339,0.301257037,0.084271276,0.034485147,1.598795134,0.520749093,2.159654256,0.615796481,0.42001346,1.394191337,0.452130861,0.261951637,0.661295186,0.214455472,0.414008129,0.197554466,0.181410512,2.108273835,1.114004052,3.387400917,0.491942778,0.792973107,1.650800114,0.648537734,0.446972687,0.601097397,0.236148726,0.580434327,0.406470514,0.528180286,2.746310535,2.098347381,5.32318963,0.401646096,1.515085128,1.477562524,0.515942685,0.322064252,0.638098986,0.222814601,0.465003095,0.257253603,0.274223872,2.31556946,1.404374338,3.965465479,0.457148479,0.99648057,1.691839258,0.679948857,0.476562889,0.593971479,0.238716667,0.609652424,0.446797819,0.600427611,2.848351004,2.280670366,5.677242242,0.390957218,1.656877854,1.653995098,0.647697671,0.446873458,0.601766507,0.235649287,0.582683265,0.405418179,0.527945797,2.748566227,2.09985418,5.327150926,0.402649761,1.516047241 +UMLKV0002,L,N-BUTANE,CCCC,C4H10,Normal paraffin,butanes,106-97-8,2.063225818,PubChem,,0.2586,0,-0.4734,0.22410756,17.6206,13.70793,0,0,14,4,10,0,4,0,0,0,0,0,0,0,0,0,587.217124,553.863243,466.155986,281.592025,84.835296,9.144576,0,0,0,2004.905051,2417.916869,2702.016388,2068.222976,1061.424631,279.7536999,0,0,0,97.346704,93.797868,168.475592,186.21226,123.32736,60.466176,0,0,0,15.60172905,19.5021431,24.72432358,21.03814958,12.01662072,4.001516144,0,0,0,2356.353945,1911.608545,3876.645596,4616.702266,3137.747111,1664.258868,0,0,0,22.5,26.25,37,37,24,9,0,0,0,41.94408029,42.60486485,19.42316608,10.42933426,4.713072,1.016064,0,0,0,143.2075037,185.9936053,112.5840162,76.60085098,58.96803508,31.08374443,0,0,0,6.953336,7.215220615,7.019816333,6.89675037,6.85152,6.718464,0,0,0,1.114409218,1.500164854,1.030180149,0.779190725,0.66759004,0.444612905,0,0,0,168.310996,147.0468112,161.5268998,170.9889728,174.3192839,184.917652,0,0,0,1.607142857,2.019230769,1.541666667,1.37037037,1.333333333,1,0,0,0,0.020624385,-0.004400557,-0.008541261,-3.26E-04,-0.001770931,0.004726831,0,0,0,345.9028829,-61.76837194,-143.3026229,-27.17808365,-29.64881853,88.94645559,0,0,0,643.2211813,-114.8609252,-266.4773465,-50.5388071,-55.13324411,165.3997323,0,0,0,0.06776,-0.0121,-0.028072,-0.005324,-0.005808,0.017424,0,0,0,2.875497957,-0.513481778,-1.191277725,-0.225931982,-0.246471253,0.73941376,0,0,0,15.61975054,-2.789241168,-6.471039509,-1.227266114,-1.33883576,4.016507281,0,0,0,1.857142857,-0.724489796,-0.469387755,0.31122449,-0.459183673,0.413265306,0,0,0,0.00147317,-3.39E-04,-3.56E-04,-1.21E-05,-9.84E-05,5.25E-04,0,0,0,24.70734878,-4.751413226,-5.970942621,-1.006595691,-1.647156585,9.88293951,0,0,0,45.94437009,-8.835455786,-11.10322277,-1.87180767,-3.062958006,18.37774804,0,0,0,0.00484,-9.31E-04,-0.001169667,-1.97E-04,-3.23E-04,0.001936,0,0,0,0.205392711,-0.039498598,-0.049636572,-0.008367851,-0.013692847,0.082157084,0,0,0,1.115696467,-0.214557013,-0.269626646,-0.045454301,-0.074379764,0.446278587,0,0,0,0.132653061,-0.055729984,-0.019557823,0.011526833,-0.025510204,0.045918367,0,0,0,-0.229779543,-0.241578223,-0.008202871,-0.066784591,0.356512398,0,0,0,-0.192307692,-0.241666667,-0.040740741,-0.066666667,0.4,0,0,0,-0.192307692,-0.241666667,-0.040740741,-0.066666667,0.4,0,0,0,-0.192307692,-0.241666667,-0.040740741,-0.066666667,0.4,0,0,0,-0.192307692,-0.241666667,-0.040740741,-0.066666667,0.4,0,0,0,-0.192307692,-0.241666667,-0.040740741,-0.066666667,0.4,0,0,0,-0.420118343,-0.147435897,0.086894587,-0.192307692,0.346153846,0,0,0,1.785292158,1.282787775,0.825600072,0.817394078,0,0,0,0,1.75,1.327083333,0.842592593,0.758333333,0,0,0,0,1.75,1.327083333,0.842592593,0.758333333,0,0,0,0,1.75,1.327083333,0.842592593,0.758333333,0,0,0,0,1.75,1.327083333,0.842592593,0.758333333,0,0,0,0,1.75,1.327083333,0.842592593,0.758333333,0,0,0,0,2.019230769,1.020833333,0.712962963,1.166666667,0,0,0,0,10.32455532,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,1.78E-15,0,0,0,8.45234659,2.113086648,0.853777642,10.32455532,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,1.78E-15,0,0,0,8.45234659,2.113086648,0.853777642,10.32455532,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,1.78E-15,0,0,0,8.45234659,2.113086648,0.853777642,10.32455532,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,1.78E-15,0,0,0,8.45234659,2.113086648,0.853777642,10.32455532,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,1.78E-15,0,0,0,8.45234659,2.113086648,0.853777642,10.32455532,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,1.78E-15,0,0,0,8.45234659,2.113086648,0.853777642,12,5.958333333,9.979211373,11.95833333,2.989583333,5.962883372,-0.083333333,0,0,0,7.312569945,1.828142486,0.795837911,0,11.89,12.11003668,-0.170621073,0.049612125,4.799903802,5.768507446,3,13,13,13,3,0,0,0,0,0,10.93207,3.328621977,2.67958788,1.873188128,1.26132855,0.083923071,0.083923071,0.083923071,0.083923071,1.832621368,1.439488452,0.940448921,0.594475511,0.083923071,0.083923071,0.083923071,0.083923071,3.363954741,2.736305454,1.959737389,1.377906302,0.270913902,0.270913902,0.270913902,0.270913902,1.761700005,1.339544641,0.810683947,0.442319685,0.270913902,0.270913902,0.270913902,0.270913902,3.517202674,2.977133532,2.314688573,1.838399162,0.943918427,0.943918427,0.943918427,0.943918427,1.547338631,1.02331968,0.38035721,0.079265286,0.943918427,0.943918427,0.943918427,0.943918427,3.38987916,2.777675632,2.022190793,1.460949196,0.399277246,0.399277246,0.399277246,0.399277246,1.716028388,1.273979433,0.724041948,0.33953603,0.399277246,0.399277246,0.399277246,0.399277246,3.590436067,3.088638486,2.471939487,2.034236485,1.207644823,1.207644823,1.207644823,1.207644823,1.478725636,0.917569879,0.22885969,0.270483971,1.207644823,1.207644823,1.207644823,1.207644823,3.399981388,2.894077004,2.116980099,1.543159538,0.571428571,0.571428571,0.571428571,0.571428571,1.690549783,1.146727989,0.603829615,0.227376355,0.571428571,0.571428571,0.571428571,0.571428571,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,6.709139019,13.43918427,12.62745098,12.8,7.992772455,108.3985808,0.479224216,0.959941733,0.901960784,0.914285714,0.570912318,7.742755774,1.8064,20.582,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.8,0,0,0,0,0,0,0,0,0,0,0,4.361111111,0,2.638888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,1.319444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,1.319444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,1.75,0.2,2.180555556,0.2,1.319444444,3.155944444,0.180555556,0.180555556,0.722222222,0.180555556,0.180555556,0.722222222,2,0.5,0,0,0.41429,0.7,0.41429,0.41429,0.7,0,0,0,0,0.71429,0,0,0.5,0,0,1.5,0.375,1.5,0.375,0,0,-1.5,-0.375,0,0,2.95465,0.73866,2.95465,0,0,1.91421,0.47855,1.91421,0,0,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3,0,0,0,0,0,0,1,0.863120569,1.148834854,1.842370993,1.842370993,1.44132029,0.523882466,12.08368796,16.08368796,25.7931939,25.7931939,20.17848406,7.334354528,0.226698216,0.30174094,0.483897885,0.483897885,0.378562104,0.137597486,2.944234353,2.658520068,1.964983929,1.964983929,2.366034632,3.283472456,0.233248109,0.310459011,0.497878937,0.497878937,0.389499735,0.141573031,6.546092095,9.974663524,10.67362661,10.67362661,5.861018167,0.527981863,15.86062537,13.09255136,14.83406016,14.83406016,10.02145172,3.143294798,4,3,4,4,0,4,1.9,0.6722,0.333333333,2.828427125,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,1.77,2,1,0,0,0,0,0,0,0,10,1.386294361,1.098612289,0.693147181,0,0,0,0,0,0,0,2.397895273,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.333333333,3,1,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,0,77.7403972,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,58.07825032,4.148446451,6.871320344,1.717830086,0,0,0,10,1,2.616,10,1.207615385,2.075637186,2.804907462,3.488097614,4.721422713,0,0,0,0,0,61.06881987,45.76900548,34.93504552,19.3874857,4.797267648,0,0,0,0,0,247.0820973,251.229949,231.5205381,227.9199613,146.759497,0,0,0,0,0,8.743989366,14.61830322,19.38426135,24.00486353,31.72070853,0,0,0,0,0,1.933556328,2.251376117,2.288578021,2.506411321,2.099205468,0,0,0,0,0,175.6597976,331.7230453,476.7407941,599.5920089,873.0744024,0,0,0,0,0,2.507596154,3.300437663,3.962325931,4.916582061,4.721422713,0,0,0,0,0,0.403174038,0.481238651,0.498315796,0.553740656,0.483473686,0,0,0,0,0,308.3371088,74.64572099,7.378325385,160.8284036,-38.93515181,-9.699861179,147.5087052,113.5808728,17.07818656,0.65720327,0.159103172,0.015726487,0.34279673,-0.082988094,-0.020674711,144.6611376,35.02119793,3.46165581,75.45514036,-18.26703045,-4.55084034,0.108004056,0.269207615,2.601916055,17.88064912,469.1655123,0,1,0,186.2447074,13.64715016,5.710769702,283.1150683,16.82602354,6.566304143,242.6090631,15.57591291,6.236903247,1.772456863,1.576101964,142.2290853,132.9312702,22.69797826,1.069944529,6.266156558,5.856524697,2.856802787,3.220194404,5.261228039,0.633823111,2.789005534,2.845632051,1.521084503,6.008783601,3.567424353,0.143467533,1.184478626,6.656961858,1.281184098,0.006683872,3.96E-24,4.53E-67,9.99E-132,4.25E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234061908,2.845426268,0.096778603,2.068861152,0.027693835,0.001148244,0.155293471,0.321129024,0.009023484,4.71E-05,2.79E-26,3.19E-69,7.04E-134,2.99E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.755580372,2.845440412,0.332757861,2.452799366,0.268426899,0.010858517,0.365340117,1.193167919,0.094031664,4.91E-04,2.91E-25,3.32E-68,7.33E-133,3.12E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.632593716,2.845609597,1.414520093,5.618901831,3.180279212,0.127912951,1.121461333,6.120066074,1.141511966,0.00595521,3.53E-24,4.04E-67,8.90E-132,3.79E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.113586447,2.845458394,0.511007208,2.84115192,0.57673941,0.0232668,0.509540052,1.916870058,0.20424934,0.001065558,6.32E-25,7.22E-68,1.59E-132,6.77E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368128095,2.845726379,1.937637073,7.621158164,5.194376476,0.208827606,1.417816146,8.814047031,1.8684866,0.0097478,5.78E-24,6.61E-67,1.46E-131,6.20E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.639252232,2.555143688,0.721988759,3.407211246,1.170661215,0.04712165,0.813315532,3.338489944,0.418345828,0.002182489,1.29E-24,1.48E-67,3.26E-132,1.39E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.793218163,0.661344393,0.47486145,0.710846719,0.168305683,0.566036597,0.505702986,0.571406527,3.929424005,3.487717754,8.294343424,0.566270079,1.64314611,2.173345566,0.275378071,0.115292216,0.847633435,0.10740108,0.343038308,0.085987691,0.033683045,2.564015853,0.880810485,3.513827775,0.771450153,0.462709043,2.437234406,0.439917428,0.268447554,0.77480763,0.139851702,0.431146639,0.221442474,0.182612402,3.145599388,1.844546263,5.277970258,0.662211445,0.835201515,2.779542024,0.652847754,0.466935083,0.712826482,0.167425843,0.560513732,0.492611978,0.552489946,3.899324861,3.417320973,8.163954531,0.569239724,1.605615656,2.546976772,0.508239681,0.332102436,0.751915263,0.150041876,0.470765039,0.296577937,0.279483061,3.387318889,2.309119489,6.126336567,0.627872894,1.046826037,2.835550995,0.687639952,0.499394859,0.704907523,0.170944757,0.583304674,0.547328189,0.631974425,4.022585806,3.709301597,8.705626552,0.557361284,1.762607288,2.789128734,0.652496297,0.467303973,0.713527601,0.166924571,0.5643747,0.492425376,0.553363253,3.908929004,3.428181221,8.187554937,0.570291401,1.610163329 +UMLKV0003,L,N-PENTANE,CCCCC,C5H12,Normal paraffin,pentanes,68476-55-1,2.287458636,PubChem,,0.3397,0,-0.7614,0.57972996,20.5322,16.801516,0,0,17,5,12,0,5,0,0,0,0,0,0,0,0,0,733.513373,722.34154,659.864523,478.348754,281.592025,84.835296,9.144576,0,0,2490.589442,3070.907003,3615.5635,3075.021321,2068.222976,1061.424631,279.7536999,0,0,118.324148,115.573648,211.2051,249.09716,186.21226,123.32736,60.466176,0,0,19.27985486,24.51813172,32.41201372,30.05967844,21.03814958,12.01662072,4.001516144,0,0,2852.983605,2344.647997,4800.847795,6095.657421,4616.702266,3137.747111,1664.258868,0,0,26.75,31.5,46.25,49,37,24,9,0,0,43.14784547,45.14634625,21.9954841,13.28746539,10.42933426,4.713072,1.016064,0,0,146.5052613,191.9316877,120.5187833,85.41725893,76.60085098,58.96803508,31.08374443,0,0,6.960244,7.223353,7.04017,6.919365556,6.89675037,6.85152,6.718464,0,0,1.134109109,1.532383233,1.080400457,0.834991068,0.779190725,0.66759004,0.444612905,0,0,167.822565,146.5404998,160.0282598,169.3238172,170.9889728,174.3192839,184.917652,0,0,1.573529412,1.96875,1.541666667,1.361111111,1.37037037,1.333333333,1,0,0,0.024802919,-0.004412371,-0.010659831,-5.80E-05,-2.30E-04,-0.001768141,0.004726855,0,0,427.2917965,-60.32354774,-177.2004215,-21.78350335,-23.45915745,-25.13481156,94.25554334,0,0,794.5673416,-112.1742129,-329.5117505,-40.50735467,-43.62330503,-46.73925539,175.2722077,0,0,0.083703529,-0.011816969,-0.034712346,-0.004267239,-0.004595488,-0.004923737,0.018464014,0,0,3.552085711,-0.501470924,-1.473070839,-0.181086723,-0.19501647,-0.208946218,0.783548319,0,0,19.29498596,-2.723998018,-8.001744177,-0.983665951,-1.059332562,-1.134999174,4.256246903,0,0,2.029411765,-0.704152249,-0.566608997,0.055363322,0.291522491,-0.472318339,0.381487889,0,0,0.001458995,-2.76E-04,-3.55E-04,-1.61E-06,-8.52E-06,-9.82E-05,5.25E-04,0,0,25.13481156,-3.770221734,-5.906680716,-0.605097315,-0.868857683,-1.39637842,10.47283815,0,0,46.73925539,-7.010888308,-10.98372502,-1.125204296,-1.615677964,-2.596625299,19.47468974,0,0,0.004923737,-7.39E-04,-0.001157078,-1.19E-04,-1.70E-04,-2.74E-04,0.002051557,0,0,0.208946218,-0.031341933,-0.049102361,-0.005030187,-0.007222832,-0.011608123,0.087060924,0,0,1.134999174,-0.170249876,-0.266724806,-0.027324054,-0.039234539,-0.06305551,0.472916323,0,0,0.119377163,-0.044009516,-0.018886967,0.00153787,0.010797129,-0.026239908,0.042387543,0,0,-0.189015802,-0.243542731,-0.001104782,-0.005837242,-0.06732718,0.359977965,0,0,-0.15,-0.235,-0.024074074,-0.034567901,-0.055555556,0.416666667,0,0,-0.15,-0.235,-0.024074074,-0.034567901,-0.055555556,0.416666667,0,0,-0.15,-0.235,-0.024074074,-0.034567901,-0.055555556,0.416666667,0,0,-0.15,-0.235,-0.024074074,-0.034567901,-0.055555556,0.416666667,0,0,-0.15,-0.235,-0.024074074,-0.034567901,-0.055555556,0.416666667,0,0,-0.36865942,-0.15821256,0.012882448,0.090445518,-0.219806763,0.355072464,0,0,1.737649235,1.320475875,0.854935481,0.842596687,0.83641934,0,0,0,1.7,1.36,0.881481481,0.839506173,0.755555556,0,0,0,1.7,1.36,0.881481481,0.839506173,0.755555556,0,0,0,1.7,1.36,0.881481481,0.839506173,0.755555556,0,0,0,1.7,1.36,0.881481481,0.839506173,0.755555556,0,0,0,1.7,1.36,0.881481481,0.839506173,0.755555556,0,0,0,1.971014493,1.051207729,0.766505636,0.803005904,1.314009662,0,0,0,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,19.1627681,9.531384049,15.75236883,19.1027681,3.82055362,9.53153419,-0.1,1.11E-16,2.22E-17,-18.36840028,2000004.099,400000.8197,7.254329894,0,11.89,12.11005553,-0.170508481,0.049754285,4.958848989,6.384508432,4,16,16,16,4,0,0,0,0,0,13.118484,3.39394298,2.902564078,2.234828892,1.598026915,1.187258543,0.083923071,0.083923071,0.083923071,1.865929755,1.563026335,1.144444036,0.769718516,0.553887413,0.083923071,0.083923071,0.083923071,3.426706868,2.950308951,2.305078211,1.695309721,1.307890993,0.270913902,0.270913902,0.270913902,1.798813498,1.473453684,1.029023966,0.630337185,0.399096902,0.270913902,0.270913902,0.270913902,3.569283482,3.155598408,2.599681189,2.090117344,1.782051108,0.943918427,0.943918427,0.943918427,1.597427488,1.195492746,0.655367741,0.162386152,0.13353473,0.943918427,0.943918427,0.943918427,3.450769146,2.985267979,2.356141543,1.765276817,1.393671185,0.399277246,0.399277246,0.399277246,1.755722936,1.415133181,0.952630191,0.536857124,0.294397011,0.399277246,0.399277246,0.399277246,3.637744659,3.252217518,2.733638931,2.26277616,1.982670235,1.207644823,1.207644823,1.207644823,1.533404227,1.104407163,0.527456807,0.004703131,0.329741677,1.207644823,1.207644823,1.207644823,3.456167551,3.088017591,2.468817839,1.859415276,1.495457506,0.588235294,0.588235294,0.588235294,1.734780343,1.300863664,0.816419181,0.411275086,0.16336102,0.588235294,0.588235294,0.588235294,0,0,0,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,8.250966823,16.32702112,15.35294118,15.56,9.791326946,131.4268359,0.48535099,0.960413007,0.903114187,0.915294118,0.575960409,7.730990349,2.1965,25.199,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,4.423611111,0,4.076388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.211805556,0,1.34375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.211805556,0,1.388888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.5,1.7,0.2,2.211805556,0.2,1.34375,3.875819444,0.15625,0.211805556,0.847222222,0.15625,0.211805556,0.847222222,2.5,0.5,0,0,0.41765,0.7,0.41765,0.41765,0.7,0,0,0,0,0.71429,0,0,0.4,0,0,2,0.4,2,0.4,0,0,-2,-0.4,0,0,4.09272,0.81854,4.09272,0,0,2.41421,0.48284,2.41421,0,0,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4,0,0,0,0,0,0,1,0.873981048,1.159554752,2.027489311,2.116299606,1.540007324,1.384692888,14.85767782,19.71243079,34.46731829,35.9770933,26.18012451,23.53977909,0.213819937,0.283685699,0.496026359,0.517753846,0.376763627,0.338765866,3.213481793,2.927908089,2.05997353,1.971163236,2.547455517,2.702769954,0.218495262,0.289888688,0.506872328,0.529074901,0.385001831,0.346173222,6.588780814,10.01566527,12.67169764,10.17480877,9.537453639,5.388226008,19.83472123,16.56436327,16.52370694,19.10355758,13.94714955,9.505207406,5,4,4,5,0,5,2.01,0.8131,0.25,3.301927249,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,2.269,3,2,1,0,0,0,0,0,0,15,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,0,0,2.772588722,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.5,4,1,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,0,95.03638183,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,72.09390038,4.24081767,8.849873734,1.769974747,0,0,0,20,2,3.185,14,1.2155,2.092697052,2.823121705,3.533912901,4.841113572,5.71185753,0,0,0,0,65.03495578,52.13174453,45.54109359,47.32919517,24.7140772,5.803612809,0,0,0,0,257.0304509,271.1018315,263.1097111,312.9939119,299.7831028,177.5459197,0,0,0,0,8.812494779,14.78166705,19.58010244,24.51829235,33.23728001,38.37490919,0,0,0,0,1.991404788,2.380722688,2.488409701,3.049449287,3.346326501,2.539565568,0,0,0,0,176.0959978,331.2997,474.7789493,593.0408367,838.4596352,1056.223283,0,0,0,0,2.46028125,3.320514809,3.949024734,5.174637486,6.625907833,5.71185753,0,0,0,0,0.414511875,0.507115079,0.538050516,0.66187002,0.74131772,0.584894211,0,0,0,0,342.5156733,101.0040335,8.289209607,159.5704575,-47.05553962,-9.58566614,182.9452158,148.0595731,17.87487575,0.682185092,0.201168738,0.016509537,0.317814908,-0.093720055,-0.019091677,171.9723692,50.71272439,4.161897179,80.11811361,-23.62593382,-4.812830024,0.089474877,0.22098478,1.95165641,14.67771004,502.0861309,0,1,0,248.3262766,15.75837163,6.285515363,364.5707096,19.09373482,7.143766615,343.5942835,18.53629638,7.004040413,1.91052409,1.91052409,262.2128483,247.8268546,31.1153899,1.058048566,8.427111122,7.964767771,3.319965475,3.220194404,6.42424645,0.994987148,3.346806641,3.794149359,1.817417009,10.98166136,5.542274002,0.143483173,1.978639402,8.390983759,1.622394608,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.28087429,3.79390147,0.118895535,3.082253751,0.04176018,0.001163757,0.277851465,0.333435168,0.940624858,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0.906696446,3.793918507,0.405967517,3.73400432,0.413773867,0.010874038,0.624992159,1.320674985,0.98758703,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.15911246,3.79412231,1.692338752,10.15820608,4.939943017,0.127928578,1.87450905,7.665112602,1.548039291,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336303737,3.793940168,0.620739546,4.466658491,0.892065326,0.023282332,0.863301197,2.193602889,1.047201643,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041753714,3.79426299,2.304478409,14.41643027,8.073995966,0.208843306,2.364197824,11.34265074,1.934734008,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.026613018,3.446103369,0.912695501,5.76105827,1.924229325,0.049945048,1.21713962,3.521030779,1.535757028,1.652095205,0.056249377,0.389865242,2.78E-15,3.82E-51,1.01E-108,5.17E-188,5.10E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.05573004,0.731531522,0.488220724,0.768788486,0.138666284,0.565615215,0.515061766,0.588213455,5.275482286,5.304134674,12.02811628,0.653182729,1.668890436,3.321390012,0.316307643,0.115953352,0.884842519,0.084266663,0.37933486,0.096296964,0.033179448,3.753651008,1.472384285,5.347853687,0.827263778,0.508811272,3.630227242,0.490936001,0.272515734,0.826238617,0.111736885,0.453159019,0.231975961,0.183267602,4.393678977,2.90529107,7.784650106,0.739357926,0.868402582,4.039189805,0.722179042,0.479835793,0.770660579,0.137788751,0.561011195,0.501976035,0.568182452,5.24120464,5.201693423,11.84258782,0.655990869,1.631169682,3.7602957,0.564481671,0.338452822,0.806371452,0.121049497,0.486213486,0.306685266,0.282682429,4.663230194,3.586351107,8.967987353,0.709557177,1.075581181,4.107027869,0.760537273,0.514225718,0.763134053,0.141316765,0.58001377,0.556716673,0.65254448,5.38179086,5.626574954,12.61457441,0.644701079,1.789274924,4.054481876,0.722580953,0.480551188,0.771163852,0.137435147,0.565267129,0.502534916,0.569877939,5.257614018,5.225314597,11.89079529,0.656745778,1.637679984 +UMLKV0004,L,N-HEXANE,CCCCCC,C6H14,Normal paraffin,hexanes,110-54-3,2.471411873,PubChem,,0.4095,0,-1.0494,1.10124036,23.4438,19.895102,0,0,20,6,14,0,6,0,0,0,0,0,0,0,0,0,879.809622,890.819837,853.57306,675.105483,478.348754,281.592025,84.835296,9.144576,0,2976.273833,3723.897138,4529.110611,4081.819666,3075.021321,2068.222976,1061.424631,279.7536999,0,139.301592,137.349428,253.934608,311.98206,249.09716,186.21226,123.32736,60.466176,0,22.95798067,29.53412034,40.09970387,39.0812073,30.05967844,21.03814958,12.01662072,4.001516144,0,3349.613265,2777.687448,5725.049994,7574.612576,6095.657421,4616.702266,3137.747111,1664.258868,0,31,36.75,55.5,61.25,49,37,24,9,0,43.9904811,46.88525458,23.71036278,15.00234407,13.28746539,10.42933426,4.713072,1.016064,0,148.8136916,195.9945862,125.8086281,90.70710369,85.41725893,76.60085098,58.96803508,31.08374443,0,6.9650796,7.228917263,7.053739111,6.932934667,6.919365556,6.89675037,6.85152,6.718464,0,1.147899033,1.554427386,1.113880663,0.868471273,0.834991068,0.779190725,0.66759004,0.444612905,0,167.4806632,146.1940762,159.0291665,168.3247239,169.3238172,170.9889728,174.3192839,184.917652,0,1.55,1.934210526,1.541666667,1.361111111,1.361111111,1.37037037,1.333333333,1,0,0.028984089,-0.004413788,-0.012762229,-8.59E-05,3.83E-05,-2.27E-04,-0.001768116,0.004726855,0,508.4772378,-59.32234441,-213.0761758,-18.15990135,-19.37056144,-20.58122153,-21.79188162,98.06346729,0,945.5351364,-110.3124326,-396.2242477,-33.76911202,-36.02038615,-38.27166028,-40.52293442,182.3532049,0,0.0996072,-0.01162084,-0.04174016,-0.0035574,-0.00379456,-0.00403172,-0.00426888,0.01920996,0,4.226981996,-0.4931479,-1.771306741,-0.150963643,-0.161027886,-0.171092128,-0.181156371,0.815203671,0,22.96103329,-2.678787217,-9.621766332,-0.820036903,-0.87470603,-0.929375157,-0.984044284,4.428199278,0,2.2,-0.69,-0.66,0.05,0.04,0.28,-0.48,0.36,0,0.001449204,-2.32E-04,-3.55E-04,-1.91E-06,1.06E-06,-8.41E-06,-9.82E-05,5.25E-04,0,25.42386189,-3.122228653,-5.918782662,-0.403553363,-0.538071151,-0.762267464,-1.21066009,10.89594081,0,47.27675682,-5.805917504,-11.0062291,-0.750424711,-1.000566282,-1.417468899,-2.251274134,20.26146721,0,0.00498036,-6.12E-04,-0.001159449,-7.91E-05,-1.05E-04,-1.49E-04,-2.37E-04,0.00213444,0,0.2113491,-0.025955153,-0.049202965,-0.003354748,-0.004472997,-0.006336745,-0.010064243,0.090578186,0,1.148051665,-0.140988801,-0.267271287,-0.018223042,-0.02429739,-0.034421302,-0.054669127,0.492022142,0,0.11,-0.036315789,-0.018333333,0.001111111,0.001111111,0.01037037,-0.026666667,0.04,0,-0.160298047,-0.244621349,-0.001317419,7.34E-04,-0.005805296,-0.067781105,0.362409973,0,-0.122807018,-0.232804233,-0.015873016,-0.021164021,-0.029982363,-0.047619048,0.428571429,0,-0.122807018,-0.232804233,-0.015873016,-0.021164021,-0.029982363,-0.047619048,0.428571429,0,-0.122807018,-0.232804233,-0.015873016,-0.021164021,-0.029982363,-0.047619048,0.428571429,0,-0.122807018,-0.232804233,-0.015873016,-0.021164021,-0.029982363,-0.047619048,0.428571429,0,-0.122807018,-0.232804233,-0.015873016,-0.021164021,-0.029982363,-0.047619048,0.428571429,0,-0.330143541,-0.166666667,0.01010101,0.01010101,0.094276094,-0.242424242,0.363636364,0,1.703412306,1.346838172,0.878190572,0.86706897,0.856170017,0.849963494,0,0,1.666666667,1.382275132,0.904761905,0.87962963,0.837742504,0.753968254,0,0,1.666666667,1.382275132,0.904761905,0.87962963,0.837742504,0.753968254,0,0,1.666666667,1.382275132,0.904761905,0.87962963,0.837742504,0.753968254,0,0,1.666666667,1.382275132,0.904761905,0.87962963,0.837742504,0.753968254,0,0,1.666666667,1.382275132,0.904761905,0.87962963,0.837742504,0.753968254,0,0,1.931818182,1.079545455,0.767676768,0.839646465,0.87962963,1.439393939,0,0,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,27.71532755,13.80210822,22.59542027,27.64125348,4.606875579,13.80211063,-0.111111111,1.11E-16,1.85E-17,-22.04208034,17.92897903,2.988163172,1.731851007,0,11.89,12.11007471,-0.170505165,0.049778506,5.038149357,6.699886583,5,19,19,19,5,0,0,0,0,0,15.304898,3.436281324,3.053015046,2.504096255,1.916358167,1.43391761,1.146847431,0.083923071,0.083923071,1.888548119,1.647951451,1.299263214,0.941680442,0.676640099,0.532894083,0.083923071,0.083923071,3.467521827,3.095177584,2.563348322,1.997662592,1.539036202,1.269940792,0.270913902,0.270913902,1.823869772,1.56562057,1.194989707,0.814897509,0.531179783,0.376646566,0.270913902,0.270913902,3.603669566,3.277764969,2.815596863,2.335009351,1.961838325,1.752167171,0.943918427,0.943918427,1.630594176,1.313531503,0.864013097,0.398039556,0.038578938,0.162221585,0.943918427,0.943918427,3.490474213,3.126113473,2.606620839,2.056575709,1.614413172,1.357364362,0.399277246,0.399277246,1.78241689,1.512301266,1.126481593,0.730495519,0.433323325,0.270879703,0.399277246,0.399277246,3.669198442,3.364561497,2.932470728,2.486225297,2.144866309,1.95552884,1.207644823,1.207644823,1.569371074,1.232013665,0.753158019,0.252901533,0.139147927,0.361314188,1.207644823,1.207644823,3.493977399,3.213334155,2.722251257,2.161020711,1.718428664,1.473804317,0.6,0.6,1.762609021,1.413761131,0.988653497,0.594869471,0.296896665,0.126026718,0.6,0.6,0,0,0,0,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,9.792794627,19.21485798,18.07843137,18.32,11.58988144,154.455091,0.489639731,0.960742899,0.903921569,0.916,0.579494072,7.722754551,2.5866,29.816,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,4.463611111,0,5.536388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.231805556,0,1.355,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.231805556,0,1.413194444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,1.666666667,0.2,2.231805556,0.2,1.355,4.596819444,0.145,0.231805556,0.927222222,0.145,0.231805556,0.927222222,3,0.5,0,0,0.42,0.7,0.42,0.42,0.7,0,0,0,0,0.71429,0,0,0.33333,0,0,2.5,0.41667,2.5,0.41667,0,0,-2.5,-0.41667,0,0,5.31294,0.88549,5.31294,0,0,2.91421,0.4857,2.91421,0,0,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,1,0.881290899,1.156779649,2.046439345,2.246439345,1.760964047,1.628771238,17.62581798,23.13559299,40.92878689,44.92878689,35.21928095,32.57542476,0.203911514,0.267653608,0.473501479,0.519777122,0.407448715,0.376862179,3.440637196,3.165148445,2.27548875,2.07548875,2.560964047,2.693156857,0.207463733,0.27231624,0.481750062,0.528831845,0.414546633,0.383427267,6.616095946,9.921960949,13.01701725,11.02014727,10.53087311,8.944559395,23.80204551,20.17438566,19.31564911,21.97319159,21.98911105,14.8301699,6,5,5.333333333,6,0,6,2.12,0.954,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,2.768,4,3,2,1,0,0,0,0,0,21,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,0,3.091042453,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.6,5,1,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,112.3323665,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,86.10955045,4.305477522,10.83915043,1.806525072,0,0,0,35,3,3.754,18,1.220894737,2.104070296,2.834050251,3.556820544,4.881273756,5.8487974,7.058444873,0,0,0,67.74862772,56.37357056,51.90472243,61.30004991,59.84703514,30.60323554,7.171831732,0,0,0,263.8372191,284.3497531,282.0632149,355.5308871,405.7006726,367.801601,219.4028965,0,0,0,8.859366903,14.89057627,19.6976071,24.77500676,33.76222334,40.18247011,47.42190778,0,0,0,2.030985313,2.466953736,2.60830871,3.32096827,4.016553242,4.087795125,3.138275679,0,0,0,176.3944505,331.0174697,473.6018424,589.7652507,827.274887,1010.85064,1305.231053,0,0,0,2.427907895,3.333899572,3.962337209,5.154990984,6.929041593,8.072260541,7.058444873,0,0,0,0.422269342,0.524366032,0.561891348,0.715934702,0.874478508,0.904865382,0.722784755,0,0,0,371.672533,129.2254233,9.068523388,158.7213439,-55.18522632,-9.513656563,212.9511891,184.4106496,18.58217995,0.700748159,0.243640488,0.017097715,0.299251841,-0.104045745,-0.017936965,197.1328357,68.54037323,4.809889277,84.18482894,-29.26990613,-5.045985188,0.07590715,0.187427247,1.576789125,12.44883377,530.3938769,0,1,0,310.4078457,17.6183951,6.770866172,446.0263509,21.11933595,7.640471717,448.2314128,21.1714764,7.653041995,2.517099006,2.517099006,439.289369,422.950533,36.39746535,1.038630607,12.06922968,11.6203293,3.714891546,4.466158665,7.63628977,0.709811572,3.904607748,4.742666667,2.113749516,15.95453913,7.51712365,0.143498814,2.772933281,8.479263225,4.128385499,1.14813862,2.188724667,0.073937918,1.544812114,1.267677695,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.327686671,4.742376672,0.141012467,4.09564635,0.055826524,0.001179269,0.400410397,0.334057283,2.006488095,0.045156318,0.017870597,0.008212694,0.127880219,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.05781252,4.742396602,0.479177174,5.015209275,0.559120835,0.010889559,0.884653971,1.327155112,2.345797934,0.17950658,0.166288302,0.012653829,0.413976048,0.093040371,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,3.685631203,4.742635023,1.970157411,14.69751032,6.699606821,0.127944204,2.627675359,7.743768261,3.965295942,1.048495653,1.951571477,0.066739285,1.456961205,1.129478003,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,1.559021026,4.742421941,0.730471884,6.092165063,1.207391242,0.023297864,1.217083562,2.207677715,2.606579016,0.298691829,0.355674901,0.018367328,0.611301281,0.202096118,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,4.715379333,4.742799601,2.671319746,21.21170237,10.95361546,0.208859005,3.31077362,11.47139688,4.769915791,1.553540596,3.185169978,0.104196167,1.871341804,1.848788779,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,2.409700782,4.353605973,1.10314419,8.23115965,2.713282391,0.051975439,1.711691777,3.694844283,3.395844781,0.500122112,0.797985751,0.035092097,1.103999159,0.45636397,1.29E-06,2.88E-33,1.23E-81,1.02E-151,1.63E-243,0,0,0,0,0,0,0,0,0,0,0,5.672933615,0.731154087,0.497572215,0.821966553,0.105938875,0.558961207,0.55695773,0.59997934,6.901659917,7.334284703,16.29976898,0.73294983,1.715898277,4.795134677,0.306135575,0.116399265,0.919018474,0.058672856,0.399871135,0.097072507,0.032834056,5.217669516,2.061745418,7.450284552,0.878527711,0.529777697,5.160908206,0.483481404,0.275302884,0.87182032,0.081673398,0.462914907,0.242862792,0.183673109,5.919692494,4.049119885,10.655749,0.80773048,0.889450808,5.652853217,0.721452622,0.48885876,0.823651121,0.105119528,0.555023015,0.542232007,0.57914973,6.863164599,7.194401023,16.05126157,0.735476682,1.676404752,5.316424902,0.558774506,0.342832262,0.855001258,0.089863567,0.491124774,0.324723371,0.28483111,6.218031671,4.984890603,12.22136814,0.782501887,1.100679255,5.735302567,0.761280769,0.524634206,0.816852993,0.108425749,0.571282404,0.603944185,0.667017548,7.021217542,7.77450539,17.08636797,0.72527949,1.842244137,5.675684185,0.721998554,0.489837932,0.824053307,0.104827062,0.55948857,0.543149712,0.581472098,6.887520671,7.231663455,16.12645953,0.73607996,1.68411038 +UMLKV0005,L,N-HEPTANE,CCCCCCC,C7H16,Normal paraffin,heptanes,142-82-5,2.627114062,PubChem,,0.505,0,-1.3374,1.78863876,26.3554,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1047.281597,871.862212,675.105483,478.348754,281.592025,84.835296,9.144576,3461.958223,4376.887272,5442.657723,5088.618011,4081.819666,3075.021321,2068.222976,1061.424631,279.7536999,160.279036,159.125208,296.664116,374.86696,311.98206,249.09716,186.21226,123.32736,60.466176,26.63610648,34.55010896,47.78739401,48.10273616,39.0812073,30.05967844,21.03814958,12.01662072,4.001516144,3846.242925,3210.7269,6649.252193,9053.567731,7574.612576,6095.657421,4616.702266,3137.747111,1664.258868,35.25,42,64.75,73.5,61.25,49,37,24,9,44.61329874,48.14991518,24.93527612,16.14559652,15.00234407,13.28746539,10.42933426,4.713072,1.016064,150.5199227,198.9494215,129.5870886,94.23366687,90.70710369,85.41725893,76.60085098,58.96803508,31.08374443,6.968653739,7.232964,7.063431333,6.941980741,6.932934667,6.919365556,6.89675037,6.85152,6.718464,1.158091586,1.570459498,1.137795096,0.89079141,0.868471273,0.834991068,0.779190725,0.66759004,0.444612905,167.2279533,145.9421318,158.3155284,167.6586617,168.3247239,169.3238172,170.9889728,174.3192839,184.917652,1.532608696,1.909090909,1.541666667,1.361111111,1.361111111,1.361111111,1.37037037,1.333333333,1,0.033165437,-0.004413881,-0.01485432,-9.76E-05,1.04E-05,4.11E-05,-2.27E-04,-0.001768116,0.004726855,589.5388264,-58.58770946,-250.1420564,-15.56236033,-16.47779329,-17.39322625,-18.30865921,-19.22409217,100.9264839,1096.272622,-108.9463475,-465.1498353,-28.93887356,-30.64116024,-32.34344692,-34.0457336,-35.74802028,187.6771065,0.115486609,-0.01147693,-0.049001112,-0.00304856,-0.003227887,-0.003407214,-0.003586541,-0.003765868,0.019770805,4.900848691,-0.487040864,-2.079436188,-0.129370229,-0.136980243,-0.144590256,-0.15220027,-0.159810283,0.839003988,26.62148787,-2.645613702,-11.29553038,-0.70274114,-0.744078854,-0.785416568,-0.826754282,-0.868091996,4.557482978,2.369565217,-0.679584121,-0.75094518,0.04536862,0.037807183,0.030245747,0.27268431,-0.484877127,0.344517958,0.001441976,-2.01E-04,-3.54E-04,-1.81E-06,2.31E-07,1.14E-06,-8.41E-06,-9.82E-05,5.25E-04,25.63212289,-2.663077703,-5.955763248,-0.288191858,-0.366173184,-0.483145173,-0.678098489,-1.06800512,11.21405376,47.66402704,-4.952106706,-11.07499608,-0.535905066,-0.680914672,-0.898429081,-1.260953096,-1.986001127,20.85301183,0.005021157,-5.22E-04,-0.001166693,-5.65E-05,-7.17E-05,-9.46E-05,-1.33E-04,-2.09E-04,0.002196756,0.213080378,-0.022138221,-0.049510385,-0.002395745,-0.003044005,-0.004016396,-0.005637047,-0.008878349,0.093222665,1.157455995,-0.120255168,-0.268941199,-0.013013725,-0.016535086,-0.021817127,-0.030620529,-0.048227333,0.506386998,0.103024575,-0.030890187,-0.017879647,8.40E-04,8.40E-04,8.40E-04,0.010099419,-0.026937618,0.038279773,-0.139136174,-0.245270661,-0.001253869,1.60E-04,7.92E-04,-0.005833771,-0.068120906,0.364226813,-0.103896104,-0.232355442,-0.011243386,-0.014285714,-0.018849206,-0.026455026,-0.041666667,0.4375,-0.103896104,-0.232355442,-0.011243386,-0.014285714,-0.018849206,-0.026455026,-0.041666667,0.4375,-0.103896104,-0.232355442,-0.011243386,-0.014285714,-0.018849206,-0.026455026,-0.041666667,0.4375,-0.103896104,-0.232355442,-0.011243386,-0.014285714,-0.018849206,-0.026455026,-0.041666667,0.4375,-0.103896104,-0.232355442,-0.011243386,-0.014285714,-0.018849206,-0.026455026,-0.041666667,0.4375,-0.299833194,-0.173547401,0.008154944,0.008154944,0.008154944,0.098029222,-0.26146789,0.371559633,1.677769697,1.366325958,0.894779892,0.887272769,0.877345483,0.866368597,0.860088788,0,1.642857143,1.398384354,0.920304233,0.903571429,0.878472222,0.836640212,0.75297619,0,1.642857143,1.398384354,0.920304233,0.903571429,0.878472222,0.836640212,0.75297619,0,1.642857143,1.398384354,0.920304233,0.903571429,0.878472222,0.836640212,0.75297619,0,1.642857143,1.398384354,0.920304233,0.903571429,0.878472222,0.836640212,0.75297619,0,1.642857143,1.398384354,0.920304233,0.903571429,0.878472222,0.836640212,0.75297619,0,1.899082569,1.105286151,0.773700306,0.825280326,0.902650357,0.945633707,1.547400612,0,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,37.65866569,18.76980904,30.52110988,37.57363168,5.367661669,18.76980906,-0.119047619,0,0,0,2000010.429,285715.7756,10.15606407,0,11.89,12.11009426,-0.170505143,0.049799553,5.07776577,7.013266965,6,22,22,22,6,0,0,0,0,0,17.491312,3.46525469,3.158726067,2.704532478,2.18392002,1.697255367,1.33214981,1.12257211,0.083923071,1.904635069,1.708882991,1.416594417,1.091617933,0.812004896,0.62252576,0.520687981,0.083923071,3.495528058,3.197240258,2.75626044,2.253323613,1.787626596,1.442861713,1.247239295,0.270913902,1.841598162,1.631733601,1.320892568,0.975709625,0.676946685,0.473240653,0.363561368,0.270913902,3.627546596,3.364701014,2.978659738,2.546003084,2.15897414,1.884943921,1.734531854,0.943918427,1.65367868,1.397661851,1.021801198,0.601565151,0.227675426,0.035334264,0.179116682,0.943918427,3.517773193,3.225530555,2.794149646,2.303876515,1.852911093,1.522049418,1.335706358,0.399277246,1.801239377,1.581957035,1.258390945,0.899064477,0.586652857,0.37260324,0.257148129,0.399277246,3.691164299,3.444790866,3.083065776,2.679762813,2.323440621,2.074844725,1.939585081,1.207644823,1.594270913,1.322620074,0.923248485,0.474040332,0.069155742,0.220196471,0.379998654,1.207644823,3.521026622,3.299285969,2.904733882,2.41404363,1.958983634,1.637300666,1.463136585,0.608695652,1.780694793,1.496988767,1.127308204,0.758536836,0.446581942,0.225539445,0.101991436,0.608695652,0,0,0,0,0,2,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.9767,34.433,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,4.491388889,0,7.008611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.245694444,0,1.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.245694444,0,1.4375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.5,1.642857143,0.2,2.245694444,0.2,1.361111111,5.318430556,0.138888889,0.245694444,0.982777778,0.138888889,0.245694444,0.982777778,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.28571,0,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,6.60412,0.94345,6.60412,0,0,3.41421,0.48774,3.41421,0,0,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6,0,0,0,0,0,0,1,0.886540893,1.149229762,2.024260067,2.392277173,1.970124741,1.487625831,20.39044053,26.43228451,46.55798153,55.02237498,45.31286904,34.21539412,0.195982923,0.254054166,0.447492504,0.528848106,0.435525093,0.328861602,3.637021063,3.374332195,2.499301889,2.131284783,2.553437215,3.035936125,0.19880132,0.257707677,0.453927819,0.536453382,0.441788306,0.333590905,6.634953582,9.787220006,12.98928415,12.76511603,9.706424984,9.691482087,27.76507516,23.86271421,22.5116657,23.21412863,26.97884693,20.92601136,7,6,6,7,0,7,2.23,1.0949,0.166666667,3.838519496,0,0,5.676240019,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,3.267,5,4,3,2,1,0,0,0,0,28,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.666666667,6,1,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,0,129.6283511,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,100.1252005,4.353269587,12.83378878,1.833398397,0,0,0,56,4,4.323,22,1.224818182,2.112194041,2.841335948,3.57056513,4.901353848,5.894083671,7.18179224,8.149714457,0,0,69.72220731,59.4034463,56.14714166,69.68256275,77.4135141,72.63702886,36.17614296,8.28063147,0,0,268.787596,293.8125543,294.6988841,381.0530723,458.6594575,495.7779935,441.0536558,253.3236414,0,0,8.893455721,14.96836856,19.77594354,24.92903541,34.02469501,40.80037509,49.28997252,54.75356319,0,0,2.059771149,2.528547342,2.688241382,3.483879659,4.351666613,4.900679746,4.934891604,3.623468219,0,0,176.6115071,330.8158767,472.8171045,587.799899,821.6825129,996.274231,1245.251567,1507.026062,0,0,2.404363636,3.343460118,3.971212193,5.170836748,6.894778863,8.422072308,9.785607939,8.149714457,0,0,0.427911136,0.536688141,0.577785236,0.748373511,0.941058902,1.066458971,1.093700566,0.83453076,0,0,403.8379912,161.7305232,9.914490227,160.4510197,-64.25801421,-9.619009784,243.3869714,225.9885374,19.53350001,0.715658082,0.286609379,0.01756988,0.284341918,-0.113874297,-0.017046247,227.8813406,91.26275698,5.594637884,90.54074723,-36.26009128,-5.427901517,0.065916805,0.162717927,1.184070371,10.80765182,564.2890109,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,555.455313,23.56809948,8.220212446,2.458826014,2.458826014,681.77975,661.1727766,43.99483578,1.031167305,15.49681316,15.02841788,4.121686851,4.466158665,8.836778877,0.978608361,4.462408855,5.691183974,2.410082022,20.92741689,9.491973299,0.143514454,3.567246355,8.617290698,8.492784039,1.178950372,2.189116413,7.561028204,4.322884441,0.860264763,2.474850258,0.241081057,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.374499053,5.690851875,0.1631294,5.10903895,0.069892868,0.001194782,0.522969464,0.335029777,3.085440249,0.045373355,0.018276572,0.341267531,0.148779883,0.859561027,0.112752628,0.00169802,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.208928595,5.690874696,0.552386831,6.296414229,0.704467803,0.010905081,1.144317192,1.33728646,3.840405446,0.181768058,0.166693326,1.269832107,0.621296789,0.859696005,0.426540802,0.017694156,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,4.212149946,5.691147735,2.24797607,19.23681457,8.459270626,0.127959831,3.380858771,7.866748499,8.038360349,1.075948388,1.951964785,6.926186272,3.933091809,0.860218614,2.270681911,0.214798927,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,1.781738316,5.690903714,0.840204222,7.717671634,1.522717158,0.023313396,1.570868987,2.229683483,4.462228045,0.303603996,0.356078693,2.069126671,1.058348264,0.859791238,0.691937989,0.038433908,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,5.389004952,5.691336212,3.038161082,28.00697447,13.83323495,0.208874705,4.257377412,11.67269582,10.31541047,1.598476551,3.185555154,10.13053264,5.918549787,0.860439114,3.298422411,0.351593848,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,2.790059979,5.271422266,1.29341061,10.77414828,3.524579563,0.053505869,2.220055489,3.853858754,5.833898592,0.526139591,0.816636886,4.126991507,1.890031116,1.274359293,1.376346639,0.089323358,0.051622884,5.85E-20,1.28E-59,5.38E-121,4.37E-204,0.00E+00,0,0,0,0,0,0,0,0,7.486988036,0.764237729,0.504484187,0.855097768,0.087284496,0.561084185,0.570990352,0.608676381,8.755709952,9.884451656,21.52673877,0.782646652,1.740750917,6.486479406,0.323050456,0.116720337,0.936506655,0.046641465,0.421145182,0.102026394,0.0325825,6.926250199,2.890270753,10.06110377,0.904759983,0.555754076,6.900889174,0.505789825,0.277331773,0.898084266,0.065823675,0.476676624,0.250099025,0.183946102,7.684010772,5.544506943,14.1965164,0.847126399,0.91072175,7.463868768,0.754042988,0.495523928,0.856593087,0.086537964,0.557624361,0.55585822,0.587246714,8.713435684,9.700249819,21.20253277,0.78488963,1.700729296,7.078157472,0.583958583,0.346035065,0.883869119,0.072920525,0.501480661,0.333377214,0.28637266,8.00815112,6.784711634,16.22314707,0.825803678,1.121230536,7.558866057,0.795933276,0.532341716,0.850539675,0.089560104,0.571909155,0.619334317,0.677754382,8.887141048,10.46396123,22.55385797,0.775809512,1.868997853,7.493406288,0.755152712,0.496709602,0.856852617,0.086349859,0.56204658,0.557495536,0.590060367,8.745268601,9.755804536,21.31178691,0.785278926,1.709602483 +UMLKV0006,L,N-OCTANE,CCCCCCCC,C8H18,Normal paraffin,octanes,111-65-9,2.761976862,PubChem,,0.6372,0,-1.6254,2.64192516,29.267,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1240.990134,1068.618941,871.862212,675.105483,478.348754,281.592025,84.835296,3947.642614,5029.877407,6356.204835,6095.416356,5088.618011,4081.819666,3075.021321,2068.222976,1061.424631,181.25648,180.900988,339.393624,437.75186,374.86696,311.98206,249.09716,186.21226,123.32736,30.31423229,39.56609758,55.47508416,57.12426502,48.10273616,39.0812073,30.05967844,21.03814958,12.01662072,4342.872585,3643.766351,7573.454392,10532.52289,9053.567731,7574.612576,6095.657421,4616.702266,3137.747111,39.5,47.25,74,85.75,73.5,61.25,49,37,24,45.09238923,49.11105724,25.85396112,16.96220541,16.14559652,15.00234407,13.28746539,10.42933426,4.713072,151.8324082,201.1950963,132.4209341,96.75264057,94.23366687,90.70710369,85.41725893,76.60085098,58.96803508,6.971403077,7.23603952,7.0707005,6.948442222,6.941980741,6.932934667,6.919365556,6.89675037,6.85152,1.165932011,1.582643903,1.15573092,0.906734365,0.89079141,0.868471273,0.834991068,0.779190725,0.66759004,167.033561,145.7506541,157.7802998,167.1829029,167.6586617,168.3247239,169.3238172,170.9889728,174.3192839,1.519230769,1.89,1.541666667,1.361111111,1.361111111,1.361111111,1.361111111,1.37037037,1.333333333,0.037346791,-0.004413885,-0.01694509,-9.90E-05,-1.31E-06,1.32E-05,4.11E-05,-2.27E-04,-0.001768116,670.5194345,-58.02572029,-287.9795007,-13.61097143,-14.32733834,-15.04370526,-15.76007218,-16.47643909,-17.19280601,1246.859521,-107.9013047,-535.5101787,-25.31018258,-26.64229745,-27.97441232,-29.30652719,-30.63864207,-31.97075694,0.131350154,-0.01136684,-0.056413207,-0.002666296,-0.002806627,-0.002946959,-0.00308729,-0.003227621,-0.003367953,5.574042193,-0.482369036,-2.39397966,-0.113148292,-0.119103466,-0.125058639,-0.131013812,-0.136968986,-0.142924159,30.27828566,-2.620236259,-13.00413551,-0.61462332,-0.646971916,-0.679320512,-0.711669107,-0.744017703,-0.776366299,2.538461538,-0.671597633,-0.840236686,0.041420118,0.035502959,0.029585799,0.023668639,0.267751479,-0.48816568,0.001436415,-1.77E-04,-3.53E-04,-1.57E-06,-2.42E-08,2.93E-07,1.14E-06,-8.41E-06,-9.82E-05,25.78920902,-2.321028812,-5.999572931,-0.216047165,-0.26532108,-0.334304561,-0.437779783,-0.610238485,-0.95515589,47.95613541,-4.316052187,-11.15646206,-0.40174893,-0.493375879,-0.621653607,-0.8140702,-1.134764521,-1.776153163,0.005051929,-4.55E-04,-0.001175275,-4.23E-05,-5.20E-05,-6.55E-05,-8.58E-05,-1.20E-04,-1.87E-04,0.214386238,-0.019294761,-0.049874576,-0.001796005,-0.00220562,-0.002779081,-0.003639273,-0.005072925,-0.007940231,1.164549448,-0.10480945,-0.27091949,-0.009755926,-0.011980961,-0.015096011,-0.019768586,-0.027556211,-0.043131461,0.097633136,-0.026863905,-0.017504931,6.57E-04,6.57E-04,6.57E-04,6.57E-04,0.009916721,-0.027120316,-0.122913904,-0.245766508,-0.001094532,-1.69E-05,2.04E-04,7.95E-04,-0.005856354,-0.068384607,-0.09,-0.232638889,-0.008377425,-0.010288066,-0.012962963,-0.016975309,-0.023662551,-0.037037037,-0.09,-0.232638889,-0.008377425,-0.010288066,-0.012962963,-0.016975309,-0.023662551,-0.037037037,-0.09,-0.232638889,-0.008377425,-0.010288066,-0.012962963,-0.016975309,-0.023662551,-0.037037037,-0.09,-0.232638889,-0.008377425,-0.010288066,-0.012962963,-0.016975309,-0.023662551,-0.037037037,-0.09,-0.232638889,-0.008377425,-0.010288066,-0.012962963,-0.016975309,-0.023662551,-0.037037037,-0.275151515,-0.179292929,0.006734007,0.006734007,0.006734007,0.006734007,0.101571268,-0.277777778,1.657866657,1.381396894,0.907262173,0.901794991,0.89533673,0.885360544,0.874283847,0.867946665,1.625,1.410590278,0.93143739,0.919495885,0.902777778,0.877700617,0.83590535,0.752314815,1.625,1.410590278,0.93143739,0.919495885,0.902777778,0.877700617,0.83590535,0.752314815,1.625,1.410590278,0.93143739,0.919495885,0.902777778,0.877700617,0.83590535,0.752314815,1.625,1.410590278,0.93143739,0.919495885,0.902777778,0.877700617,0.83590535,0.752314815,1.625,1.410590278,0.93143739,0.919495885,0.902777778,0.877700617,0.83590535,0.752314815,1.871212121,1.128472222,0.781625782,0.820707071,0.875420875,0.957491582,1.00308642,1.641414141,43.67270669,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,-1.07E-14,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,43.67270669,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,-1.07E-14,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,43.67270669,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,-1.07E-14,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,43.67270669,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,-1.07E-14,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,43.67270669,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,-1.07E-14,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,43.67270669,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,-1.07E-14,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,48.99302775,24.43401388,39.53586775,48.89927775,6.112409719,24.43401388,-0.125,5.00E-16,6.25E-17,-28.18617854,31.8581333,3.982266663,2.76903417,0,11.89,12.11011416,-0.170505151,0.049820989,5.097566341,7.171461662,7,25,25,25,7,0,0,0,0,0,19.677726,3.485937838,3.235586487,2.855831106,2.400922336,1.940693832,1.546555204,1.265882545,1.106895864,1.916494584,1.754106844,1.506678791,1.216946946,0.942345939,0.728624043,0.588748295,0.512975205,3.515563671,3.271612095,2.902278609,2.461601951,2.01901354,1.644195306,1.380586146,1.232621285,1.854607938,1.680754733,1.417602055,1.110021215,0.817191576,0.587730533,0.43697346,0.355279877,3.64479296,3.428603711,3.103252631,2.72046252,2.346336964,2.041896453,1.836050213,1.723279051,1.670384861,1.459593071,1.142520707,0.770193962,0.407871307,0.11485492,0.082208846,0.189882893,3.537333936,3.298089533,2.936362111,2.505957839,2.075909855,1.714527311,1.462464617,1.321786577,1.815011076,1.63355226,1.359701253,1.039726079,0.734025883,0.493235811,0.334514067,0.248447387,3.707105189,3.503964233,3.198458435,2.840513132,2.494137722,2.216249519,2.030586675,1.929442389,1.612212042,1.389087137,1.052959555,0.656337899,0.266343866,0.053772993,0.271925482,0.391943313,3.541257081,3.361098061,3.038702609,2.616923633,2.184053141,1.82736658,1.587628461,1.457664888,1.792802372,1.559044307,1.23872282,0.899711292,0.591517704,0.345972069,0.178471805,0.085375161,0,0,0,0,0,2,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.3668,39.05,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.511797052,0,8.488202948,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.255898526,0,1.364795918,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.255898526,0,1.44875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13,1.625,0.2,2.255898526,0.2,1.364795918,6.040410147,0.135204082,0.255898526,1.023594104,0.135204082,0.255898526,1.023594104,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.25,0,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,7.95768,0.99471,7.95768,0,0,3.91421,0.48928,3.91421,0,0,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,1,0.89049164,1.140115679,1.987773371,2.411602218,2.133937566,1.669180337,23.15278265,29.64300764,51.68210766,62.70165767,55.48237672,43.39868876,0.189448582,0.242555111,0.42289094,0.513058855,0.453986796,0.355111529,3.809948078,3.56032404,2.712666347,2.2888375,2.566502152,3.031259381,0.191756937,0.245510548,0.428043697,0.519310271,0.459518443,0.359438421,6.648700044,9.644188504,12.82787956,13.25502488,10.64578708,10.17739311,31.72521615,27.60155386,25.90958533,25.57906449,29.61611021,29.38481876,8,7,7.2,8,0,8,2.34,1.2358,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,3.766,6,5,4,3,2,1,0,0,0,36,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,3.610917913,1,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.714285714,7,1,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,146.9243357,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,114.1408506,4.390032714,14.83110795,1.853888494,0,0,0,84,5,4.892,26,1.2278,2.118286851,2.846540018,3.579728187,4.913401903,5.916726806,7.223057649,8.284152283,9.473632882,0,71.2221278,61.6758531,59.17744111,75.27090465,87.95340148,93.65392553,85.40399457,42.1014707,9.625817321,0,272.5498825,300.9096552,303.7243621,398.0678624,490.4347284,559.7661898,590.3808493,511.5622927,294.4759833,0,8.919363223,15.02671279,19.83189814,25.03172117,34.182178,41.10932758,49.93323297,56.86908096,63.64826147,0,2.081648384,2.574742546,2.745336147,3.592487252,4.552734635,5.307122057,5.879857653,5.714834053,4.212099435,0,176.77647,330.664682,472.2565774,586.4896646,818.3270884,988.9860265,1226.111077,1435.321958,1751.841949,0,2.38647,3.350630527,3.977551467,5.181400591,6.909107032,8.379154886,10.18067427,11.32122458,9.473632882,0,0.4321989,0.545929723,0.589138013,0.769999384,0.981007139,1.147255765,1.281364282,1.266198343,0.970100007,0,432.4639216,196.02773,10.67389428,160.1679819,-72.60112192,-9.589930481,272.2959397,268.6288519,20.26382476,0.729734459,0.330774852,0.018011002,0.270265541,-0.122506267,-0.016181934,256.2919171,116.1722867,6.325690285,94.92065598,-43.02574108,-5.683298755,0.058239052,0.14376481,1.046154106,9.548794241,592.6319035,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,664.5605004,25.77907098,8.726595414,3.065900804,3.065900804,1002.657107,979.8325035,49.54169888,1.023294393,20.23865006,19.77793507,4.483445295,5.645455692,10.06558281,0.782953115,5.020209962,6.639701282,2.706414529,25.90029466,11.46682295,0.143530095,4.36155943,8.75531817,12.85718258,1.209762124,2.189522491,12.11021002,4.449840321,5.026730647,2.706479734,1.089056456,0.142773617,0.63522528,2.008139858,1.27E-08,2.41E-38,8.76E-90,6.16E-163,8.34E-258,0,0,0,0,0,0,0.421311435,6.639327077,0.185246332,6.122431549,0.083959212,0.001210294,0.645528531,0.336002271,4.164392403,0.045590392,0.018682648,0.653630438,0.149674044,1.99652951,0.114384014,0.060782495,0.002820634,0.053296814,0.014143493,8.97E-11,1.69E-40,6.17E-92,4.34E-165,5.88E-260,0,0,0,0,0,0,1.360044669,6.639352791,0.625596488,7.577619183,0.84981477,0.010920602,1.403980412,1.347417809,5.335012957,0.184029537,0.167099403,2.311384526,0.630614633,2.614936034,0.443541096,0.213073955,0.012173464,0.172057337,0.147386104,9.35E-10,1.77E-39,6.43E-91,4.52E-164,6.12E-259,0,0,0,0,0,0,4.738668689,6.639660448,2.52579473,23.77611882,10.21893443,0.127975457,4.134042183,7.989728737,12.11142476,1.103401123,1.952370863,11.1680097,4.046207212,4.841180699,2.477059604,1.005728872,0.127408321,0.599591729,1.78921646,1.13E-08,2.14E-38,7.81E-90,5.49E-163,7.43E-258,0,0,0,0,0,0,2.004455605,6.639385487,0.94993656,9.343178205,1.838043075,0.023328928,1.924654412,2.251689252,6.317877075,0.308516162,0.35648477,3.651517832,1.078587865,3.039488989,0.728864898,0.33472025,0.024299088,0.253589686,0.320142313,2.03E-09,3.84E-39,1.40E-90,9.82E-164,1.33E-258,0,0,0,0,0,0,6.062630571,6.639872823,3.405002418,34.80224657,16.71285444,0.208890405,5.203981203,11.87399476,15.86090516,1.643412507,3.185961232,15.87220571,6.103703006,5.713787642,3.636232232,1.420717986,0.207382411,0.767169714,2.928683254,1.86E-08,3.51E-38,1.28E-89,8.98E-163,1.22E-257,0,0,0,0,0,0,3.168574335,6.196098388,1.48354585,13.36580555,4.350727986,0.05470155,2.7376358,3.991295966,8.353417966,0.549435057,0.835029571,6.616153925,1.976592231,4.457739974,1.259709483,0.666389512,0.056146926,0.481052142,0.760478999,4.82E-09,9.11E-39,3.32E-90,2.33E-163,3.16E-258,0,0,0,0,0,0,9.608306102,0.762955714,0.509801088,0.883030103,0.070117756,0.55831779,0.596539506,0.615366699,10.8810629,12.6179926,27.23626048,0.824545155,1.770223995,8.467167816,0.316921301,0.116962558,0.951254765,0.035604928,0.433871607,0.10272089,0.032391137,8.901051675,3.710835371,12.9257474,0.926882147,0.568983634,8.937358235,0.500899559,0.278874782,0.919752629,0.051548083,0.483238747,0.256960283,0.184141197,9.717132576,7.108810883,18.07438744,0.879628944,0.924340227,9.581707056,0.752576578,0.500648679,0.884334741,0.069458355,0.555237576,0.580419943,0.593469799,10.83493231,12.38481376,26.82990783,0.826502111,1.729127318,9.139551237,0.579927298,0.34847927,0.907786009,0.057601284,0.505290346,0.344557339,0.287532122,10.0679578,8.687312036,20.60230589,0.861679014,1.137379807,9.691072678,0.795246905,0.538278849,0.879040877,0.072133866,0.567957131,0.648093972,0.686036313,11.02459843,13.3513596,28.52436307,0.818561316,1.902087416,9.619148855,0.753721658,0.502000001,0.884529967,0.069308564,0.559569376,0.582184488,0.59667784,10.87487051,12.45734183,26.97179309,0.82679495,1.738431705 +UMLKV0007,L,N-NONANE,CCCCCCCCC,C9H20,Normal paraffin,nonanes,111-84-2,2.880869394,PubChem,,0.807,0,-1.9134,3.66109956,32.1786,29.17586,0,0,29,9,20,0,9,0,0,0,0,0,0,0,0,0,1318.698369,1396.254728,1434.698671,1265.37567,1068.618941,871.862212,675.105483,478.348754,281.592025,4433.327004,5682.867541,7269.751946,7102.214701,6095.416356,5088.618011,4081.819666,3075.021321,2068.222976,202.233924,202.676768,382.123132,500.63676,437.75186,374.86696,311.98206,249.09716,186.21226,33.9923581,44.5820862,63.1627743,66.14579387,57.12426502,48.10273616,39.0812073,30.05967844,21.03814958,4839.502245,4076.805803,8497.656591,12011.47804,10532.52289,9053.567731,7574.612576,6095.657421,4616.702266,43.75,52.5,83.25,98,85.75,73.5,61.25,49,37,45.47235755,49.86624029,26.56849391,17.57466208,16.96220541,16.14559652,15.00234407,13.28746539,10.42933426,152.873345,202.9595551,134.625036,98.64187085,96.75264057,94.23366687,90.70710369,85.41725893,76.60085098,6.973583586,7.238456,7.076354296,6.953288333,6.948442222,6.941980741,6.932934667,6.919365556,6.89675037,1.172150279,1.592217364,1.169681006,0.918691582,0.906734365,0.89079141,0.868471273,0.834991068,0.779190725,166.8793878,145.6002072,157.3640109,166.8260839,167.1829029,167.6586617,168.3247239,169.3238172,170.9889728,1.50862069,1.875,1.541666667,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,1.37037037,0.041528146,-0.004413885,-0.019035771,-9.91E-05,-2.72E-06,1.49E-06,1.32E-05,4.11E-05,-2.27E-04,751.4441938,-57.58193056,-326.3455914,-12.09220542,-12.66802472,-13.24384403,-13.81966333,-14.39548264,-14.97130195,1397.342566,-107.0760587,-606.8535627,-22.48597233,-23.55673292,-24.6274935,-25.69825409,-26.76901468,-27.83977526,0.147202759,-0.011279905,-0.063928861,-0.00236878,-0.002481579,-0.002594378,-0.002707177,-0.002819976,-0.002932775,6.246771423,-0.478679803,-2.712917781,-0.100522759,-0.105309557,-0.110096355,-0.114883153,-0.119669951,-0.124456749,33.93256151,-2.600196285,-14.73661244,-0.54604122,-0.572043183,-0.598045145,-0.624047108,-0.650049071,-0.676051034,2.706896552,-0.665279429,-0.928359096,0.038049941,0.033293698,0.028537455,0.023781213,0.01902497,0.264268728,0.001432005,-1.58E-04,-3.53E-04,-1.38E-06,-4.32E-08,2.75E-08,2.94E-07,1.14E-06,-8.41E-06,25.91186875,-2.05649752,-6.043436879,-0.167947297,-0.201079758,-0.245256371,-0.30710363,-0.399874518,-0.554492665,48.18422642,-3.824144954,-11.23802894,-0.312305171,-0.373916395,-0.456064695,-0.571072313,-0.743583741,-1.031102788,0.005075957,-4.03E-04,-0.001183868,-3.29E-05,-3.94E-05,-4.80E-05,-6.02E-05,-7.83E-05,-1.09E-04,0.215405911,-0.017095707,-0.050239218,-0.001396149,-0.00167158,-0.002038821,-0.002552959,-0.003324165,-0.004609509,1.170088328,-0.092864153,-0.27290023,-0.007583906,-0.009080051,-0.01107491,-0.013867714,-0.018056919,-0.025038927,0.09334126,-0.02375998,-0.017191835,5.28E-04,5.28E-04,5.28E-04,5.28E-04,5.28E-04,0.009787731,-0.110082529,-0.246168323,-9.62E-04,-3.02E-05,1.92E-05,2.05E-04,7.98E-04,-0.005874389,-0.079365079,-0.233230453,-0.006481481,-0.007760141,-0.009465021,-0.011851852,-0.015432099,-0.021399177,-0.079365079,-0.233230453,-0.006481481,-0.007760141,-0.009465021,-0.011851852,-0.015432099,-0.021399177,-0.079365079,-0.233230453,-0.006481481,-0.007760141,-0.009465021,-0.011851852,-0.015432099,-0.021399177,-0.079365079,-0.233230453,-0.006481481,-0.007760141,-0.009465021,-0.011851852,-0.015432099,-0.021399177,-0.079365079,-0.233230453,-0.006481481,-0.007760141,-0.009465021,-0.011851852,-0.015432099,-0.021399177,-0.254549591,-0.18418259,0.005661713,0.005661713,0.005661713,0.005661713,0.005661713,0.104859637,1.641971499,1.393411127,0.917063517,0.912820705,0.908279745,0.901809884,0.891761949,0.880605164,1.611111111,1.420164609,0.939814815,0.930864198,0.918930041,0.902222222,0.877160494,0.835390947,1.611111111,1.420164609,0.939814815,0.930864198,0.918930041,0.902222222,0.877160494,0.835390947,1.611111111,1.420164609,0.939814815,0.930864198,0.918930041,0.902222222,0.877160494,0.835390947,1.611111111,1.420164609,0.939814815,0.930864198,0.918930041,0.902222222,0.877160494,0.835390947,1.611111111,1.420164609,0.939814815,0.930864198,0.918930041,0.902222222,0.877160494,0.835390947,1.847133758,1.149327672,0.790162774,0.820948337,0.861995754,0.919462137,1.005661713,1.053550366,55.48437864,27.74218932,44.32390806,55.48437864,6.16493096,27.74218932,3.55E-15,1.22E-15,1.36E-16,-30.90501477,2000019.329,222224.3699,13.05780066,55.48437864,27.74218932,44.32390806,55.48437864,6.16493096,27.74218932,3.55E-15,1.22E-15,1.36E-16,-30.90501477,2000019.329,222224.3699,13.05780066,55.48437864,27.74218932,44.32390806,55.48437864,6.16493096,27.74218932,3.55E-15,1.22E-15,1.36E-16,-30.90501477,2000019.329,222224.3699,13.05780066,55.48437864,27.74218932,44.32390806,55.48437864,6.16493096,27.74218932,3.55E-15,1.22E-15,1.36E-16,-30.90501477,2000019.329,222224.3699,13.05780066,55.48437864,27.74218932,44.32390806,55.48437864,6.16493096,27.74218932,3.55E-15,1.22E-15,1.36E-16,-30.90501477,2000019.329,222224.3699,13.05780066,55.48437864,27.74218932,44.32390806,55.48437864,6.16493096,27.74218932,3.55E-15,1.22E-15,1.36E-16,-30.90501477,2000019.329,222224.3699,13.05780066,61.71840483,30.7943876,49.64335334,61.61758179,6.846397976,30.7943876,-0.12962963,7.77E-16,8.64E-17,-31.31180138,2000019.037,222224.3374,13.05780053,0,11.89,12.11013444,-0.170505158,0.049842857,5.107464722,7.327660031,8,28,28,28,8,0,0,0,0,0,21.86414,3.501210758,3.293101695,2.972029979,2.575531306,2.15303244,1.759359301,1.441039877,1.220696104,1.925492739,1.788607438,1.576979922,1.320282095,1.06046679,0.837753104,0.673163678,0.566353487,3.530384202,3.327366954,3.014671681,2.629759571,2.22194955,1.845382634,1.544392192,1.338291939,1.864439138,1.718100381,1.493074919,1.220685282,0.94410117,0.705472272,0.528170174,0.412887556,3.657651319,3.476869653,3.199932865,2.862981141,2.513667727,2.201803,1.962161742,1.803255548,1.682860544,1.506432068,1.23630868,0.908182925,0.569208382,0.26821579,0.038269785,0.113595148,3.551821977,3.352557552,3.045997118,2.669494685,2.272217781,1.907707617,1.618645465,1.422104473,1.825391288,1.672812438,1.438735976,1.155529416,0.867201107,0.617228045,0.430697998,0.309185444,3.719037154,3.548797436,3.288241071,2.972328688,2.647444332,2.361009518,2.143791143,2.001016242,1.625561277,1.439200858,1.153436185,0.80489372,0.441800162,0.115186524,0.137877612,0.306708511,3.556907342,3.407257029,3.13940861,2.777730392,2.381184753,2.018844062,1.739525693,1.555492573,1.801113319,1.605982991,1.328312874,1.020032905,0.724266875,0.47024944,0.275963414,0.14581734,0,0,0,0,0,2,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.949747468,4.414213562,2.767766953,1.707106781,1.030330086,0.603553391,0.338388348,0.176776695,0.772194163,0.551776695,0.395395279,0.284517797,0.206066017,0.150888348,0.112796116,0.088388348,6.949747468,4.414213562,2.767766953,1.707106781,1.030330086,0.603553391,0.338388348,0.176776695,0.772194163,0.551776695,0.395395279,0.284517797,0.206066017,0.150888348,0.112796116,0.088388348,14.41827804,27.87836854,26.25490196,26.6,16.98554491,223.5398563,0.497182001,0.961323053,0.905341447,0.917241379,0.585708445,7.708270906,3.7569,43.667,27.74218932,44.32390806,55.48437864,6.16493096,27.74218932,1.22E-15,1.36E-16,-30.90501477,2000019.329,222224.3699,13.05780066,96,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,2,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,4.527422052,0,9.972577948,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.263711026,0,1.3671875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.263711026,0,1.46,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.5,1.611111111,0.2,2.263711026,0.2,1.3671875,6.762628897,0.1328125,0.263711026,1.054844104,0.1328125,0.263711026,1.054844104,4.5,0.5,0,0,0.42414,0.7,0.42414,0.42414,0.7,0,0,0,0,0.71429,0,0,0.22222,0,0,4,0.44444,4,0.44444,0,0,-4,-0.44444,0,0,9.36685,1.04076,9.36685,0,0,4.41421,0.49047,4.41421,0,0,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,8,0,0,0,0,0,0,1,0.893571102,1.130738017,1.946864292,2.393017428,2.298021307,1.847533791,25.91356195,32.79140251,56.45906447,69.3975054,66.6426179,53.57847995,0.183938781,0.232758839,0.400755848,0.492595058,0.473040407,0.380308979,3.964409893,3.727242978,2.911116703,2.464963567,2.559959688,3.010447204,0.185875833,0.235210014,0.404976192,0.497782557,0.478021978,0.384313998,6.65913786,9.50514085,12.617757,13.39138731,12.25143386,9.337363029,35.68332321,31.37575067,29.42559996,28.44353,30.82320953,34.81706615,9,8,8,9,0,9,2.45,1.3767,0.125,4.141993258,0,0,9.333258269,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,4.265,7,6,5,4,3,2,1,0,0,45,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0.75,8,1,1,4,8,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0,0,0,0.0625,0.031746032,0.020833333,0.016,0.013888889,0.013605442,0.015625,0,0,0,0.174198696,27.74218932,44.32390806,55.48437864,6.16493096,27.74218932,1.22E-15,1.36E-16,-30.90501477,2000019.329,222224.3699,13.05780066,0,164.2203203,4.169925001,3.433987204,4.043051268,4.672828834,5.303304908,5.942799375,6.580639137,7.22329568,7.863651265,8.507344855,70.57090253,2.833213344,0,3.80666249,0,4.919980926,0,6.098074282,0,7.311218384,7.671360923,128.1565006,4.419189677,16.82976754,1.869974171,0,0,0,120,6,5.461,30,1.230142857,2.123025702,2.85044307,3.586273228,4.92143394,5.930312687,7.243690354,8.32876297,9.598318,10.61025677,72.40063676,63.44328061,61.45016569,79.26257743,94.97999307,106.2640635,110.0179204,98.29450566,47.76925588,10.78069993,275.5059647,306.4296225,310.4934706,410.2212839,511.6182424,598.1591076,665.0444461,682.9442252,585.0889714,329.8065097,8.939719117,15.07209163,19.87386409,25.10506814,34.28716667,41.29469907,50.25486319,57.59289976,65.85418381,71.28462811,2.098837641,2.610672149,2.788157222,3.670064105,4.686779984,5.550987443,6.352340677,6.801559625,6.560435092,4.717457082,176.9060838,330.5470861,471.8361821,585.5537829,816.0901388,984.6131038,1216.540833,1412.500259,1665.914213,1962.023769,2.372410714,3.356207511,3.982305923,5.188946192,6.918659146,8.394854931,10.12401952,11.76250454,13.02602229,10.61025677,0.435567857,0.553117619,0.597652596,0.785446436,1.007639297,1.195733842,1.37519614,1.482076183,1.454519873,1.086490293,464.6293798,235.1389676,11.51931986,161.8976577,-81.93293353,-9.695387667,302.7317221,317.0719011,21.21470753,0.741595098,0.37530538,0.01838599,0.258404902,-0.130773181,-0.015474811,291.1028689,147.3209208,7.217165346,101.4332599,-51.33319812,-6.074422513,0.052163287,0.12876632,0.792769659,8.552601257,626.5270375,0,1,0,496.6525532,22.28570289,7.919253116,690.3932748,26.27533586,8.838234442,775.1207465,27.8409904,9.185929763,2.950990616,2.950990616,1410.91692,1384.171775,56.79147305,1.019322128,24.84381623,24.37288031,4.85376418,5.645455692,11.2817115,0.998370391,5.578011069,7.58821859,3.002747035,30.87317242,13.4416726,0.143545735,5.155872505,8.893345643,17.22158112,1.240573876,2.189928568,16.65943622,4.560378906,10.99176726,2.706547915,0.750701801,1.181180802,4.552075903,0.764155249,2.340186684,0.346403458,0.017048723,7.84E-23,6.95E-65,1.19E-128,3.92E-214,2.49E-321,0,0,0,0.468123816,7.587802279,0.207363264,7.135824148,0.098025556,0.001225807,0.768087598,0.336974765,5.243344557,0.045807429,0.019088724,0.965993658,0.150452577,3.146165474,0.114384494,0.060424053,0.090642427,0.085967932,0.764029657,0.172567609,0.002439756,1.20E-04,5.52E-25,4.89E-67,8.37E-131,2.76E-216,2.0E-323,0,0,0,1.511160743,7.587830886,0.698806144,8.858824137,0.995161738,0.010936123,1.663643633,1.357549158,6.829620469,0.186291015,0.167505479,3.352940202,0.63872754,4.502180979,0.4435461,0.190130176,0.292259254,0.472594864,0.764050114,0.572770255,0.025424075,0.00125128,5.75E-24,5.10E-66,8.72E-130,2.88E-215,1.8E-322,0,0,0,5.265187433,7.588173161,2.803613389,28.31542306,11.97859823,0.127991084,4.887225596,8.112708975,16.18448916,1.130853858,1.95277694,15.40987268,4.144695101,10.42463692,2.477120351,0.704483326,1.106994919,4.09293604,0.764145728,2.192538313,0.30863925,0.015190105,6.98E-23,6.19E-65,1.06E-128,3.49E-214,2.223E-321,0,0,0,2.227172895,7.587867261,1.059668898,10.96868478,2.153368991,0.023344461,2.278439838,2.27369502,8.173526104,0.313428328,0.356890846,5.233916069,1.096210183,5.505919056,0.728875768,0.282493177,0.436893857,0.893885773,0.764065695,0.860043096,0.055224468,0.002717947,1.25E-23,1.11E-65,1.89E-129,6.25E-215,3.95E-322,0,0,0,6.73625619,7.588409435,3.771843755,41.59751867,19.59247393,0.208906104,6.150584995,12.07529369,21.40639984,1.688348462,3.18636731,21.61394351,6.264913144,13.19018254,3.636331666,0.926324482,1.464287024,6.462944278,0.764192582,2.9038348,0.505196862,0.02486396,1.14E-22,1.01E-64,1.73E-128,5.72E-214,3.636E-321,0,0,0,3.545784444,7.125566531,1.673584315,15.99155907,5.187280016,0.05566224,3.261672406,4.113584786,10.93005539,0.570819377,0.849840687,9.170217632,2.053403915,7.883755802,1.281548497,0.42035821,0.852218354,1.901520514,1.177462688,1.683734844,0.13345393,0.006568117,3.02E-23,2.68E-65,4.58E-129,1.51E-214,9.6E-322,0,0,0,11.95121345,0.782414741,0.514017941,0.902138639,0.059060661,0.559248207,0.606865929,0.620672986,13.24764613,15.89611893,33.9502469,0.853207958,1.786787122,10.68317698,0.326195035,0.117151798,0.960154057,0.029316886,0.446870248,0.105480797,0.032240681,11.12652381,4.77456702,16.30934134,0.940231086,0.584591725,11.20377764,0.513499016,0.280087786,0.933853239,0.042800985,0.491484194,0.261395399,0.18428697,11.99736444,9.034994879,22.64374043,0.900779858,0.937166564,11.92147891,0.771716716,0.504711715,0.903285544,0.058472658,0.556468857,0.590383923,0.59840203,13.19790734,15.60640908,33.44766649,0.854928316,1.745254809,11.42845257,0.594333546,0.350405854,0.923646267,0.048033971,0.511393796,0.350170209,0.288435687,12.37319197,11.00516738,25.7584255,0.8854694,1.149999692,12.04379152,0.815722883,0.542992739,0.89862228,0.060863454,0.56794601,0.659635466,0.692618891,13.40250714,16.80701929,35.54410232,0.847933419,1.920200367,11.96614747,0.773267104,0.506198676,0.903404565,0.058379109,0.560646733,0.592758481,0.601933201,13.24561325,15.70170299,33.63118687,0.855106847,1.755338415 +UMLKV0008,L,N-DECANE,CCCCCCCCCC,C10H22,Normal paraffin,Alkanes,124-18-5,2.987150421,PubChem,,1.013,0,-2.2014,4.84616196,35.0902,32.269446,0,0,32,10,22,0,10,0,0,0,0,0,0,0,0,0,1464.994618,1564.733025,1628.407208,1462.132399,1265.37567,1068.618941,871.862212,675.105483,478.348754,4919.011395,6335.857676,8183.299058,8109.013046,7102.214701,6095.416356,5088.618011,4081.819666,3075.021321,223.211368,224.452548,424.85264,563.52166,500.63676,437.75186,374.86696,311.98206,249.09716,37.67048391,49.59807482,70.85046445,75.16732273,66.14579387,57.12426502,48.10273616,39.0812073,30.05967844,5336.131905,4509.845254,9421.85879,13490.4332,12011.47804,10532.52289,9053.567731,7574.612576,6095.657421,48,57.75,92.5,110.25,98,85.75,73.5,61.25,49,45.78108181,50.47525887,27.14012013,18.05101727,17.57466208,16.96220541,16.14559652,15.00234407,13.28746539,153.7191061,204.3825057,136.3883176,100.1112722,98.64187085,96.75264057,94.23366687,90.70710369,85.41725893,6.97535525,7.240404774,7.080877333,6.957057531,6.953288333,6.948442222,6.941980741,6.932934667,6.919365556,1.177202622,1.599937897,1.180841074,0.927991639,0.918691582,0.906734365,0.89079141,0.868471273,0.834991068,166.754122,145.4788792,157.0309798,166.548558,166.8260839,167.1829029,167.6586617,168.3247239,169.3238172,1.5,1.862903226,1.541666667,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,0.045709501,-0.004413885,-0.021126449,-9.91E-05,-2.81E-06,7.19E-08,1.51E-06,1.32E-05,4.11E-05,832.3288119,-57.22260582,-365.0896834,-10.87702425,-11.34993834,-11.82285244,-12.29576654,-12.76868064,-13.24159473,1547.750967,-106.407879,-678.8998562,-20.22629105,-21.10569501,-21.98509897,-22.86450293,-23.74390689,-24.62331084,0.1630475,-0.011209516,-0.071518562,-0.002130734,-0.002223375,-0.002316016,-0.002408656,-0.002501297,-0.002593938,6.919166958,-0.475692728,-3.034998234,-0.090420932,-0.094352277,-0.098283622,-0.102214966,-0.106146311,-0.110077656,37.58502473,-2.58397045,-16.48615858,-0.491167937,-0.512523065,-0.533878192,-0.55523332,-0.576588448,-0.597943575,2.875,-0.66015625,-1.015625,0.03515625,0.03125,0.02734375,0.0234375,0.01953125,0.015625,0.001428422,-1.42E-04,-3.52E-04,-1.22E-06,-3.91E-08,1.14E-09,2.80E-08,2.94E-07,1.14E-06,26.01027537,-1.84589051,-6.084828057,-0.13428425,-0.157638033,-0.187664324,-0.22769938,-0.283748459,-0.367822076,48.36721773,-3.432512226,-11.3149976,-0.249707297,-0.293134653,-0.348969825,-0.423416721,-0.527642375,-0.683980857,0.005095234,-3.62E-04,-0.001191976,-2.63E-05,-3.09E-05,-3.68E-05,-4.46E-05,-5.56E-05,-7.21E-05,0.216223967,-0.015344927,-0.050583304,-0.001116308,-0.001310448,-0.001560057,-0.00189287,-0.002358807,-0.003057713,1.174532023,-0.083353885,-0.27476931,-0.006063802,-0.007118376,-0.008474257,-0.010282099,-0.012813077,-0.016609544,0.08984375,-0.021295363,-0.016927083,4.34E-04,4.34E-04,4.34E-04,4.34E-04,4.34E-04,4.34E-04,-0.099678795,-0.246501033,-8.57E-04,-2.74E-05,7.99E-07,1.96E-05,2.06E-04,8.00E-04,-0.070967742,-0.233939394,-0.005162738,-0.006060606,-0.007215007,-0.008754209,-0.010909091,-0.014141414,-0.070967742,-0.233939394,-0.005162738,-0.006060606,-0.007215007,-0.008754209,-0.010909091,-0.014141414,-0.070967742,-0.233939394,-0.005162738,-0.006060606,-0.007215007,-0.008754209,-0.010909091,-0.014141414,-0.070967742,-0.233939394,-0.005162738,-0.006060606,-0.007215007,-0.008754209,-0.010909091,-0.014141414,-0.070967742,-0.233939394,-0.005162738,-0.006060606,-0.007215007,-0.008754209,-0.010909091,-0.014141414,-0.237026648,-0.188405797,0.004830918,0.004830918,0.004830918,0.004830918,0.004830918,0.004830918,1.628984413,1.403214125,0.924977432,0.921560946,0.918143875,0.913606549,0.907099062,0.896992195,1.6,1.427878788,0.946352413,0.939393939,0.93044733,0.918518519,0.901818182,0.876767677,1.6,1.427878788,0.946352413,0.939393939,0.93044733,0.918518519,0.901818182,0.876767677,1.6,1.427878788,0.946352413,0.939393939,0.93044733,0.918518519,0.901818182,0.876767677,1.6,1.427878788,0.946352413,0.939393939,0.93044733,0.918518519,0.901818182,0.876767677,1.6,1.427878788,0.946352413,0.939393939,0.93044733,0.918518519,0.901818182,0.876767677,1.826086957,1.168115942,0.798711755,0.823671498,0.855762595,0.898550725,0.958454106,1.048309179,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,75.83469465,37.85068066,60.84580395,75.72802798,7.572802798,37.85068066,-0.133333333,1.67E-16,1.67E-17,-36.33133546,48.66635119,4.866635119,3.884987851,0,11.89,12.11015511,-0.170505165,0.049865171,5.112413351,7.407268787,9,31,31,31,9,0,0,0,0,0,24.050554,3.512805123,3.337201265,3.062823148,2.716438049,2.333784739,1.956334141,1.624183802,1.365317391,1.932483317,1.815532584,1.632737175,1.405372919,1.164335932,0.942762779,0.763930039,0.634799578,3.541651349,3.370182286,3.102652658,2.765819865,2.395430027,2.032725436,1.716720514,1.473124754,1.872049897,1.747200105,1.552915661,1.311754829,1.055524963,0.818635077,0.626272471,0.486878003,3.667491355,3.514173242,3.276143496,2.979400328,2.658834882,2.35356873,2.097021803,1.906139155,1.692420704,1.542675643,1.31032137,1.021062963,0.709480343,0.414138296,0.167326491,0.015415667,3.562848207,3.394431523,3.131931389,2.80206165,2.440523319,2.088317692,1.783588016,1.550406129,1.833409087,1.703366429,1.501368098,1.250760393,0.983965445,0.73625379,0.534158895,0.387266279,3.728198738,3.583545209,3.359192445,3.080350168,2.781097802,2.499169271,2.265278097,2.093146298,1.635759561,1.477872193,1.232516296,0.925996536,0.593542969,0.274941482,0.005070189,0.197167147,3.56934017,3.442789514,3.216871357,2.905546292,2.548605827,2.198203331,1.90041371,1.678949589,1.806934966,1.642036503,1.400603284,1.122039913,0.842915067,0.590043505,0.381370055,0.225766441,0,0,0,0,0,2,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.656854249,4.914213562,3.121320344,1.957106781,1.207106781,0.728553391,0.426776695,0.239276695,0.765685425,0.546023729,0.390165043,0.279586683,0.201184464,0.145710678,0.106694174,0.079758898,7.656854249,4.914213562,3.121320344,1.957106781,1.207106781,0.728553391,0.426776695,0.239276695,0.765685425,0.546023729,0.390165043,0.279586683,0.201184464,0.145710678,0.106694174,0.079758898,15.96010584,30.76620539,28.98039216,29.36,18.7840994,246.5681114,0.498753308,0.961443918,0.905637255,0.9175,0.587003106,7.705253481,4.147,48.284,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,122,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,2,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,4.539767731,0,11.46023227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.269883866,0,1.36882716,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.269883866,0,1.466111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,1.6,0.2,2.269883866,0.2,1.36882716,7.485011613,0.13117284,0.269883866,1.079535462,0.13117284,0.269883866,1.079535462,5,0.5,0,0,0.425,0.7,0.425,0.425,0.7,0,0,0,0,0.71429,0,0,0.2,0,0,4.5,0.45,4.5,0.45,0,0,-4.5,-0.45,0,0,10.82617,1.08262,10.82617,0,0,4.91421,0.49142,4.91421,0,0,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,9,0,0,0,0,0,0,1,0.896038233,1.121640762,1.905639062,2.358458593,2.352217001,2.021782222,28.67322344,35.89250439,60.98044999,75.47067499,75.27094405,64.69703109,0.179207647,0.224328152,0.381127812,0.471691719,0.4704434,0.404356444,4.103961767,3.878359238,3.094360938,2.641541407,2.647782999,2.978217778,0.180864499,0.226402163,0.384651504,0.476052713,0.474792853,0.408094895,6.667318507,9.374548863,12.39410975,13.36908858,12.84418217,10.28173396,39.63994499,35.17609677,33.01842031,31.58458593,33.04547782,37.3049511,10,9,9.142857143,10,0,10,2.56,1.5176,0.111111111,4.250401119,0,0,11.24058363,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,4.764,8,7,6,5,4,3,2,1,0,55,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,4.025351691,1,0.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0.777777778,9,1,1,5,9,0.8,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0,0,0.055555556,0.027777778,0.017857143,0.013333333,0.011111111,0.010204082,0.010416667,0.012345679,0,0,0.158601348,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,0,181.516305,4.321928095,3.555348061,4.17438727,4.812184355,5.451038454,6.098074282,6.744059186,7.394493107,8.04334217,8.695004593,73.96793148,2.944438979,0,3.931825633,0,5.056245805,0,6.244166901,0,7.466799475,7.82284529,142.1721507,4.44287971,18.82909733,1.882909733,0,0,0,165,7,6.03,34,1.232032258,2.126816784,2.853478777,3.591182009,4.927171109,5.939369942,7.256069977,8.351068313,9.639996477,10.7432104,73.3510472,64.85722262,63.21784037,82.25633201,99.99898706,114.6708222,124.7862759,126.3910231,111.1472603,53.69799054,277.889902,310.8455964,315.7583328,419.33635,526.7493238,623.7543861,709.8426041,768.6351914,778.0286238,656.6194205,8.95613516,15.1083947,19.90650427,25.16007837,34.36215858,41.41828006,50.44784132,57.95480916,66.61187972,73.71761161,2.112699944,2.639415831,2.821462502,3.728246744,4.782526661,5.713564368,6.635830492,7.34492241,7.781398572,7.356887,177.010611,330.4530093,471.509208,584.8518716,814.4923176,981.697822,1210.798686,1401.089409,1638.630883,1863.963709,2.361072581,3.360669099,3.986003833,5.194605394,6.925482084,8.405321627,10.13863169,11.69622522,13.51290248,14.60058202,0.438284758,0.558867937,0.604275049,0.797031725,1.026662266,1.228052559,1.431495255,1.590015103,1.696931383,1.63087908,518.806276,289.9483775,12.87982094,185.6728382,-103.7680936,-11.19483188,333.1334378,393.7164711,24.07465282,0.736439542,0.411578387,0.018282758,0.263560458,-0.147297615,-0.015890935,365.4881858,204.2625762,9.073564845,130.8026366,-73.10245464,-7.88652525,0.047235381,0.116601667,0.717876105,7.744630494,704.4791142,0,1,0,558.7341223,23.63755745,8.236355148,771.8489161,27.78216903,9.17298675,886.8236151,29.77958386,9.60754476,3.5468948,3.5468948,1919.023544,1889.905618,62.49348786,1.01540708,30.70757626,30.24164089,5.191248624,6.901696073,12.51757278,0.813695162,6.135812176,8.536735897,3.299079542,35.84605019,15.41652225,0.143561376,5.950185579,9.031373116,21.58597966,1.271385627,2.190334646,21.20866241,4.670917491,16.95680387,2.706616095,0.752742321,4.229476654,4.699786721,5.486966136,4.287083639,2.590008367,0.829633961,0.282376383,2.450972911,1.56E-10,2.42E-42,7.26E-96,4.19E-171,4.67E-268,0,0.514936198,8.536277482,0.229480196,8.149216747,0.1120919,0.00124132,0.890646665,0.33794726,6.322296711,0.046024466,0.0194948,1.278356878,0.15123111,4.295801438,0.114384975,0.062463041,0.19262003,0.087008273,1.860278089,0.186279763,0.153140911,0.006395501,0.02369758,0.017262403,1.10E-12,1.71E-44,5.11E-98,2.95E-173,3.29E-270,0,1.662276818,8.53630898,0.772015801,10.14002909,1.140508706,0.010951644,1.923306853,1.367680506,8.324227981,0.188552494,0.167911555,4.394495877,0.646840448,6.389425923,0.443551105,0.192169477,0.719859502,0.483436004,2.600545409,0.715661476,0.526900461,0.06141166,0.076498884,0.179887545,1.15E-11,1.78E-43,5.33E-97,3.08E-172,3.43E-269,0,5.791706176,8.536685874,3.081432048,32.85472731,13.73826204,0.12800671,5.640409008,8.235689213,20.25755357,1.158306593,1.953183017,19.65173565,4.24318299,16.00809315,2.477181099,0.706523752,3.877356132,4.224543719,5.264936868,3.927188449,2.397079319,0.739251617,0.266540056,2.183772738,1.39E-10,2.16E-42,6.47E-96,3.74E-171,4.16E-268,0,2.449890184,8.536349034,1.169401236,12.59419135,2.468694907,0.023359993,2.632225263,2.295700789,10.02917513,0.318340494,0.357296923,6.816314306,1.113832501,7.972349123,0.728886639,0.284532692,1.169909738,0.917434176,3.108720773,1.170421923,0.820191012,0.132737801,0.112745489,0.390739785,2.49E-11,3.86E-43,1.16E-96,6.68E-172,7.45E-269,0,7.409881809,8.536946046,4.138685091,48.39279078,22.47209342,0.208921804,7.097188786,12.27659263,26.95189452,1.733284417,3.186773388,27.35568131,6.426123281,20.66657745,3.6364311,0.928365349,5.652425365,6.678366622,6.309047419,5.743201037,3.354007826,1.209678239,0.341011397,3.574513645,2.28E-10,3.54E-42,1.06E-95,6.12E-171,6.81E-268,0,3.922039033,8.058513549,1.86354965,18.64212039,6.031401034,0.056451695,3.790406127,4.224834171,13.54827596,0.590810862,0.862041917,11.771524,2.125201575,11.38913255,1.299436218,0.428009726,2.25564885,1.972804874,4.883516439,2.071174959,1.673837389,0.324741455,0.22060496,0.957411294,6.10E-11,9.47E-43,2.84E-96,1.64E-171,1.82E-268,0,14.5824455,0.781085363,0.517444134,0.918233641,0.049183716,0.557853601,0.624350483,0.624984453,15.880975,19.33990367,41.11463708,0.877350462,1.807188537,13.17544307,0.322100342,0.117303726,0.967726111,0.023658021,0.4555665,0.106092527,0.032119287,13.61484714,5.827126863,19.93978928,0.951589166,0.593778314,13.7511616,0.510061604,0.281066426,0.945598111,0.035074367,0.4961626,0.266252103,0.184399704,14.54228963,11.02229057,27.53596311,0.918397166,0.946814407,14.54926899,0.770276725,0.508012006,0.919236514,0.048666809,0.555321902,0.607205602,0.602407305,15.82755773,18.98947642,40.51030604,0.878854772,1.764934808,14.00045607,0.591383708,0.351963501,0.936873687,0.039573842,0.514281772,0.357964695,0.289159548,14.94380328,13.41543665,31.2733716,0.90531053,1.161406014,14.68579654,0.814752275,0.546826121,0.915152578,0.050771686,0.565777426,0.679272743,0.697976469,16.04737494,20.44139112,43.03169706,0.872728867,1.943026639,14.60199397,0.771824156,0.509611983,0.919322456,0.04859304,0.559344875,0.609608846,0.606207829,15.88343011,19.10485362,40.73169827,0.878983683,1.775161549 +UMLKV0009,L,N-UNDECANE,CCCCCCCCCCC,C11H24,Normal paraffin,Paraffins,1120-21-4,3.083228468,PubChem,,1.258,0,-2.4894,6.19711236,38.0018,35.363032,0,0,35,11,24,0,11,0,0,0,0,0,0,0,0,0,1611.290867,1733.211322,1822.115745,1658.889128,1462.132399,1265.37567,1068.618941,871.862212,675.105483,5404.695786,6988.84781,9096.84617,9115.811391,8109.013046,7102.214701,6095.416356,5088.618011,4081.819666,244.188812,246.228328,467.582148,626.40656,563.52166,500.63676,437.75186,374.86696,311.98206,41.34860972,54.61406344,78.53815459,84.18885159,75.16732273,66.14579387,57.12426502,48.10273616,39.0812073,5832.761566,4942.884706,10346.06099,14969.38835,13490.4332,12011.47804,10532.52289,9053.567731,7574.612576,52.25,63,101.75,122.5,110.25,98,85.75,73.5,61.25,46.03688191,50.97680359,27.60781432,18.43210142,18.05101727,17.57466208,16.96220541,16.14559652,15.00234407,154.4198796,205.5543474,137.8310026,101.2867932,100.1112722,98.64187085,96.75264057,94.23366687,90.70710369,6.9768232,7.242009647,7.084578,6.960072889,6.957057531,6.953288333,6.948442222,6.941980741,6.932934667,1.181388849,1.606295984,1.189972039,0.935431684,0.927991639,0.918691582,0.906734365,0.89079141,0.868471273,166.6503304,145.3789619,156.7584998,166.3265372,166.548558,166.8260839,167.1829029,167.6586617,168.3247239,1.492857143,1.852941176,1.541666667,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,0.049890856,-0.004413885,-0.023217126,-9.91E-05,-2.82E-06,-2.09E-08,9.63E-08,1.51E-06,1.32E-05,913.1836107,-56.92573158,-404.1133966,-9.88293951,-10.27825709,-10.67357467,-11.06889225,-11.46420983,-11.85952741,1698.103919,-105.8558287,-751.4661172,-18.37774804,-19.11285796,-19.84796788,-20.5830778,-21.31818772,-22.05329764,0.1788864,-0.01115136,-0.07916304,-0.001936,-0.00201344,-0.00209088,-0.00216832,-0.00224576,-0.0023232,7.591314606,-0.473224807,-3.359403184,-0.082157084,-0.085443368,-0.088729651,-0.092015935,-0.095302218,-0.098588501,41.23614142,-2.57056466,-18.24833141,-0.446278587,-0.46412973,-0.481980874,-0.499832017,-0.517683161,-0.535534304,3.042857143,-0.655918367,-1.102244898,0.032653061,0.029387755,0.026122449,0.022857143,0.019591837,0.016326531,0.001425453,-1.30E-04,-3.52E-04,-1.10E-06,-3.48E-08,-2.90E-10,1.53E-09,2.80E-08,2.94E-07,26.09096031,-1.674286223,-6.122930251,-0.109810439,-0.126892063,-0.148244093,-0.175696702,-0.212300182,-0.263545054,48.51725481,-3.113406726,-11.38585026,-0.2041972,-0.235961209,-0.275666221,-0.326715521,-0.394781254,-0.490073281,0.00511104,-3.28E-04,-0.00119944,-2.15E-05,-2.49E-05,-2.90E-05,-3.44E-05,-4.16E-05,-5.16E-05,0.216894703,-0.013918377,-0.050900048,-9.13E-04,-0.001054856,-0.001232356,-0.00146057,-0.001764856,-0.002190856,1.178175469,-0.075604843,-0.27648987,-0.004958651,-0.005729997,-0.006694179,-0.007933842,-0.009586725,-0.011900762,0.086938776,-0.019291717,-0.01670068,3.63E-04,3.63E-04,3.63E-04,3.63E-04,3.63E-04,3.63E-04,-0.091072896,-0.246780939,-7.73E-04,-2.44E-05,-2.03E-07,1.07E-06,1.96E-05,2.06E-04,-0.064171123,-0.234676309,-0.004208754,-0.004863449,-0.005681818,-0.006734007,-0.008136925,-0.01010101,-0.064171123,-0.234676309,-0.004208754,-0.004863449,-0.005681818,-0.006734007,-0.008136925,-0.01010101,-0.064171123,-0.234676309,-0.004208754,-0.004863449,-0.005681818,-0.006734007,-0.008136925,-0.01010101,-0.064171123,-0.234676309,-0.004208754,-0.004863449,-0.005681818,-0.006734007,-0.008136925,-0.01010101,-0.064171123,-0.234676309,-0.004208754,-0.004863449,-0.005681818,-0.006734007,-0.008136925,-0.01010101,-0.221900028,-0.192097027,0.004173187,0.004173187,0.004173187,0.004173187,0.004173187,0.004173187,1.618174224,1.411365182,0.931504846,0.928679708,0.926006849,0.922599811,0.918040739,0.911501667,1.590909091,1.43422865,0.951599327,0.946034418,0.939078283,0.93013468,0.918209877,0.901515152,1.590909091,1.43422865,0.951599327,0.946034418,0.939078283,0.93013468,0.918209877,0.901515152,1.590909091,1.43422865,0.951599327,0.946034418,0.939078283,0.93013468,0.918209877,0.901515152,1.590909091,1.43422865,0.951599327,0.946034418,0.939078283,0.93013468,0.918209877,0.901515152,1.590909091,1.43422865,0.951599327,0.946034418,0.939078283,0.93013468,0.918209877,0.901515152,1.807511737,1.18509034,0.806990089,0.827682142,0.853547209,0.886802295,0.93114241,0.993218571,83.27678045,41.63839023,66.32546527,83.27678045,7.570616405,41.63839023,0,5.55E-17,5.05E-18,-41.17294253,2000029.956,181820.9051,15.95953999,83.27678045,41.63839023,66.32546527,83.27678045,7.570616405,41.63839023,0,5.55E-17,5.05E-18,-41.17294253,2000029.956,181820.9051,15.95953999,83.27678045,41.63839023,66.32546527,83.27678045,7.570616405,41.63839023,0,5.55E-17,5.05E-18,-41.17294253,2000029.956,181820.9051,15.95953999,83.27678045,41.63839023,66.32546527,83.27678045,7.570616405,41.63839023,0,5.55E-17,5.05E-18,-41.17294253,2000029.956,181820.9051,15.95953999,83.27678045,41.63839023,66.32546527,83.27678045,7.570616405,41.63839023,0,5.55E-17,5.05E-18,-41.17294253,2000029.956,181820.9051,15.95953999,83.27678045,41.63839023,66.32546527,83.27678045,7.570616405,41.63839023,0,5.55E-17,5.05E-18,-41.17294253,2000029.956,181820.9051,15.95953999,91.34176648,45.60270142,73.14465899,91.23019623,8.293654203,45.60270142,-0.136363636,3.89E-16,3.53E-17,-39.03244136,2000029.683,181820.8803,15.95953984,0,11.89,12.11017617,-0.170505172,0.049887945,5.114887429,7.484885087,10,34,34,34,10,0,0,0,0,0,26.236968,3.521812292,3.371723967,3.134916014,2.830975742,2.486296728,2.132339609,1.801869306,1.522445731,1.938023015,1.836951549,1.677628261,1.475738567,1.254363309,1.040066353,0.855100536,0.710724983,3.550414912,3.403743108,3.172620231,2.876653656,2.5422882,2.200948401,1.884916904,1.620397766,1.878062249,1.770311168,1.601068533,1.387020453,1.151963396,0.923318777,0.72475258,0.569024034,3.675187702,3.543576632,3.337118155,3.074986979,2.783193021,2.492141128,2.231035536,2.020007199,1.699906814,1.571273499,1.369597118,1.113857568,0.829863643,0.54769664,0.295859212,0.093378249,3.571432156,3.427285741,3.20034697,2.910212397,2.583328716,2.251041483,1.945209541,1.691004135,1.839730604,1.727603127,1.551735787,1.329413248,1.084902314,0.846198425,0.63793571,0.473977822,3.735384887,3.611002781,3.416090676,3.169288201,2.896065841,2.626002035,2.386586888,2.195360083,1.643724557,1.508311984,1.295699151,1.025256287,0.723200071,0.420302284,0.146638755,0.076183921,3.579431219,3.470829905,3.277713606,3.008030128,2.689032257,2.359512561,2.058748821,1.814361101,1.811077785,1.670150559,1.459266147,1.208340936,0.947698283,0.701610121,0.487230072,0.315204682,0,0,0,0,0,2,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.363961031,5.414213562,3.474873734,2.207106781,1.383883476,0.853553391,0.515165043,0.301776695,0.760360094,0.541421356,0.386097082,0.275888348,0.197697639,0.142258898,0.103033009,0.075444174,8.363961031,5.414213562,3.474873734,2.207106781,1.383883476,0.853553391,0.515165043,0.301776695,0.760360094,0.541421356,0.386097082,0.275888348,0.197697639,0.142258898,0.103033009,0.075444174,17.50193365,33.65404224,31.70588235,32.12,20.58265389,269.5963665,0.500055247,0.961544064,0.905882353,0.917714286,0.588075825,7.702753328,4.5371,52.901,41.63839023,66.32546527,83.27678045,7.570616405,41.63839023,5.55E-17,5.05E-18,-41.17294253,2000029.956,181820.9051,15.95953999,150,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,0,0,0,0,0,0,0,0,0,0,0,2,0,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.2,0,0,0,0,0,0,0,0,0,0,0,4.549767731,0,12.95023227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.274883866,0,1.37,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.274883866,0,1.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.5,1.590909091,0.2,2.274883866,0.2,1.37,8.207511613,0.13,0.274883866,1.099535462,0.13,0.274883866,1.099535462,5.5,0.5,0,0,0.42571,0.7,0.42571,0.42571,0.7,0,0,0,0,0.71429,0,0,0.18182,0,0,5,0.45455,5,0.45455,0,0,-5,-0.45455,0,0,12.33112,1.12101,12.33112,0,0,5.41421,0.4922,5.41421,0,0,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,10,0,0,0,0,0,0,1,0.898058793,1.113042302,1.865857032,2.317214892,2.366333748,2.191776048,31.43205777,38.95648056,65.30499611,81.10252121,82.82168119,76.71216168,0.175084664,0.216997638,0.363765662,0.451761949,0.461338113,0.427306515,4.231224223,4.016240715,3.263425985,2.812068125,2.762949269,2.937506969,0.176523902,0.218781412,0.366755904,0.455475541,0.465130424,0.430819077,6.673894308,9.253696408,12.17247128,13.26862692,13.11241251,11.7633608,43.5954495,38.99655444,36.66514229,34.89654782,35.7602527,38.52243264,11,10,10,11,0,11,2.67,1.6585,0.1,4.340313074,0,0,13.18512474,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,5.263,9,8,7,6,5,4,3,2,1,66,2.397895273,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,4.204692619,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0.8,10,1,1,5,10,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0,0.05,0.024691358,0.015625,0.011428571,0.009259259,0.008163265,0.0078125,0.008230453,0.01,0,0.145210407,41.63839023,66.32546527,83.27678045,7.570616405,41.63839023,5.55E-17,5.05E-18,-41.17294253,2000029.956,181820.9051,15.95953999,0,198.8122896,4.459431619,3.663561646,4.290459441,4.934473933,5.579729826,6.232448017,6.884486652,7.540621529,8.195609567,8.853236765,77.17462738,3.044522438,0,4.043051268,0,5.176149733,0,6.371611847,0,7.601402335,7.954372273,156.1878008,4.462508593,20.82876223,1.893523839,0,0,0,220,8,6.599,38,1.233588235,2.129918578,2.855907343,3.59499995,4.931473986,5.945839409,7.264323059,8.364451519,9.660835715,10.78738181,74.13373816,66.01408427,64.63198011,84.5848078,103.7632326,120.6756498,134.6318462,143.2489336,142.8362625,124.0749803,279.8531444,314.4586659,319.9702225,426.4258459,538.0976348,642.0367279,739.7080428,820.0497711,874.4984501,871.5988236,8.969654255,15.13809722,19.93261642,25.20286411,34.4184025,41.5065522,50.57649341,58.1719548,66.99072768,74.5498127,2.124115959,2.66293339,2.848106726,3.773499908,4.854336669,5.829690742,6.824823701,7.670940082,8.391880312,8.719034628,177.0966923,330.3760375,471.2476287,584.3059405,813.2939518,979.6154779,1206.970588,1394.242899,1624.989218,1832.870259,2.351735294,3.364319489,3.98896216,5.199006995,6.930599287,8.412797839,10.14837315,11.71172496,13.43347353,15.13354299,0.440522206,0.563572742,0.609573012,0.806042505,1.040929494,1.251137358,1.469027998,1.654778456,1.818137138,1.901368994,541.0610566,330.9526801,13.52004402,178.6283403,-109.2622122,-10.64305479,362.4327163,440.2148923,24.16309881,0.75179801,0.459854878,0.018785943,0.24820199,-0.151818566,-0.0147884,389.3959055,238.1831348,9.730232324,128.5569225,-78.63485559,-7.659693685,0.043158194,0.106537033,0.655911633,7.076141967,719.6893969,0,1,0,620.8156915,24.91617329,8.530756816,853.3045574,29.21137719,9.484942193,999.4577212,31.61420126,9.998192077,3.395219386,3.395219386,2536.360189,2503.515097,69.54988714,1.01311959,36.4682143,35.99596203,5.535275894,6.901696073,13.74176127,0.991070184,6.693613282,9.485253205,3.595412048,40.81892795,17.39137189,0.143577017,6.744498654,9.169400589,25.9503782,1.302197379,2.190740723,25.75788861,4.781456076,22.92184048,2.706684276,0.754782841,7.277871709,4.699797708,12.29822116,4.287084255,1.740846318,0.233327501,4.92083639,0.657097957,2.828408649,0.485123803,0.002541069,2.15E-25,3.51E-69,1.10E-134,0.56174858,9.484752684,0.251597128,9.162609346,0.126158244,0.001256832,1.013205733,0.338919754,7.401248865,0.046241503,0.019900876,1.590720098,0.152009643,5.445437402,0.114385455,0.064502029,0.294598332,0.087008352,2.971235604,0.186279768,0.153139669,0.02050829,0.068384616,0.65668218,0.23091752,0.003416768,1.79E-05,1.51E-27,2.47E-71,7.78E-137,1.813392892,9.484787075,0.845225458,11.42123404,1.285855673,0.010967165,2.182970074,1.377811855,9.818835492,0.190813972,0.168317632,5.436051553,0.654953355,8.276670868,0.44355611,0.194208777,1.14746703,0.483436812,4.590320687,0.715661521,0.470165386,0.063797015,0.447812118,0.656712307,0.749680796,0.035605346,1.87E-04,1.58E-26,2.57E-70,8.10E-136,6.318224919,9.485198587,3.359250707,37.39403156,15.49792584,0.128022337,6.39359242,8.358669451,24.33061798,1.185759328,1.953589095,23.89359863,4.34167088,21.59154937,2.477241847,0.708564178,6.647805735,4.224553509,11.62649413,3.927188998,1.641150794,0.220245013,4.407599503,0.657053137,2.665344996,0.432236576,0.002264046,1.92E-25,3.13E-69,9.84E-135,2.672607474,9.484830807,1.279133574,14.21969792,2.784020823,0.023375525,2.986010688,2.317706557,11.88482416,0.32325266,0.357702999,8.398712543,1.131454819,10.43877919,0.728897509,0.286572208,1.902941434,0.917435929,5.786320457,1.170422021,0.689889582,0.093558563,0.889713968,0.656749243,1.109192306,0.077339566,4.05E-04,3.43E-26,5.59E-70,1.76E-135,8.083507427,9.485482657,4.505526427,55.18806288,25.35171291,0.208937504,8.043792578,12.47789157,32.4973892,1.778220372,3.187179466,33.09741911,6.587333418,28.14297235,3.636530535,0.930406216,9.840708385,6.678382646,14.89970175,5.743201935,2.112809426,0.281827204,7.066570078,0.657285891,3.436755146,0.70750747,0.00370591,3.13E-25,5.12E-69,1.61E-134,4.297572936,8.994065668,2.053458512,21.3112913,6.881199643,0.057112541,4.322663171,4.327791793,16.19770502,0.609756134,0.872282967,14.40828941,2.193233008,14.95408249,1.314356288,0.434728726,3.689042476,1.995419975,8.790007008,2.094913404,1.028634143,0.184362814,2.061778296,1.03799231,2.201865924,0.191673412,0.001003981,8.49E-26,1.39E-69,4.36E-135,17.44733597,0.79395896,0.52028298,0.929950351,0.042318347,0.558249813,0.631822062,0.628556885,18.76157791,23.343104,49.31188561,0.894925527,1.818628759,15.91109403,0.32797232,0.117428387,0.972769183,0.020051504,0.464269788,0.10781348,0.032019279,16.35649474,7.125325808,24.09460866,0.959153775,0.604102546,16.53818421,0.518186918,0.281872639,0.95385579,0.029886932,0.501586672,0.26913586,0.184489304,17.33824376,13.37759505,33.13145088,0.930783685,0.955211836,17.41096737,0.782927312,0.510745904,0.930836778,0.041857383,0.555924919,0.614386359,0.605724491,18.70464059,22.92397906,48.59086361,0.896255167,1.77603577,16.81036988,0.60074871,0.353248928,0.946297123,0.033817624,0.518232776,0.36172987,0.289752409,17.76436752,16.249267,37.58102763,0.919445685,1.169715055,17.56067622,0.828338338,0.550004627,0.927222051,0.04373713,0.565526303,0.687724035,0.702421887,18.93901918,24.66022443,51.59971066,0.890833077,1.955672225,17.47121568,0.78477564,0.512441447,0.930883036,0.041813595,0.559778982,0.61729066,0.609752861,18.76843276,23.06611107,48.86062055,0.896324554,1.786822504 +UMLKV0010,L,N-DODECANE,CCCCCCCCCCCC,C12H26,Normal paraffin,Alkanes,112-40-3,3.170886316,PubChem,,1.5446,0,-2.7774,7.71395076,40.9134,38.456618,0,0,38,12,26,0,12,0,0,0,0,0,0,0,0,0,1757.587116,1901.689619,2015.824282,1855.645857,1658.889128,1462.132399,1265.37567,1068.618941,871.862212,5890.380176,7641.837945,10010.39328,10122.60974,9115.811391,8109.013046,7102.214701,6095.416356,5088.618011,265.166256,268.004108,510.311656,689.29146,626.40656,563.52166,500.63676,437.75186,374.86696,45.02673553,59.63005206,86.22584474,93.21038045,84.18885159,75.16732273,66.14579387,57.12426502,48.10273616,6329.391226,5375.924158,11270.26319,16448.34351,14969.38835,13490.4332,12011.47804,10532.52289,9053.567731,56.5,68.25,111,134.75,122.5,110.25,98,85.75,73.5,46.25229253,51.39701673,27.99755947,18.74389755,18.43210142,18.05101727,17.57466208,16.96220541,16.14559652,155.0100046,206.5361607,139.03324,102.2485832,101.2867932,100.1112722,98.64187085,96.75264057,94.23366687,6.978059368,7.24335427,7.087661889,6.96254,6.960072889,6.957057531,6.953288333,6.948442222,6.941980741,1.184914093,1.611623029,1.197581177,0.941518994,0.935431684,0.927991639,0.918691582,0.906734365,0.89079141,166.562927,145.2952475,156.5314332,166.1448839,166.3265372,166.548558,166.8260839,167.1829029,167.6586617,1.486842105,1.844594595,1.541666667,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,0.054072211,-0.004413885,-0.025307803,-9.91E-05,-2.82E-06,-2.44E-08,3.61E-09,9.63E-08,1.51E-06,994.0156528,-56.67633108,-443.3497615,-9.054798457,-9.390161363,-9.725524269,-10.06088717,-10.39625008,-10.73161299,1848.414552,-105.3920578,-824.4278132,-16.83778438,-17.46140603,-18.08502767,-18.70864932,-19.33227096,-19.9558926,0.194720842,-0.011102504,-0.086849175,-0.001773773,-0.001839468,-0.001905163,-0.001970859,-0.002036554,-0.002102249,8.263273076,-0.471151535,-3.685575913,-0.07527273,-0.078060609,-0.080848488,-0.083636367,-0.086424246,-0.089212125,44.88623049,-2.559302616,-20.02010685,-0.408882666,-0.424026469,-0.439170271,-0.454314074,-0.469457876,-0.484601679,3.210526316,-0.652354571,-1.188365651,0.030470914,0.027700831,0.024930748,0.022160665,0.019390582,0.016620499,0.001422953,-1.19E-04,-3.51E-04,-1.00E-06,-3.13E-08,-3.01E-10,5.01E-11,1.53E-09,2.80E-08,26.15830665,-1.531792732,-6.157635576,-0.091462611,-0.104335126,-0.120068201,-0.139734544,-0.165019843,-0.198733574,48.64248822,-2.848433995,-11.45038629,-0.17007863,-0.194015623,-0.223271947,-0.259842352,-0.306861444,-0.369553567,0.005124233,-3.00E-04,-0.001206239,-1.79E-05,-2.04E-05,-2.35E-05,-2.74E-05,-3.23E-05,-3.89E-05,0.217454555,-0.012733825,-0.051188554,-7.60E-04,-8.67E-04,-9.98E-04,-0.001161616,-0.001371813,-0.001652076,1.181216592,-0.069170341,-0.27805704,-0.004130128,-0.004711405,-0.005421855,-0.006309918,-0.007451712,-0.008974105,0.084487535,-0.017631205,-0.016505078,3.08E-04,3.08E-04,3.08E-04,3.08E-04,3.08E-04,3.08E-04,-0.083835647,-0.247019607,-7.04E-04,-2.20E-05,-2.12E-07,3.52E-08,1.07E-06,1.97E-05,-0.058558559,-0.23539886,-0.003496503,-0.003988604,-0.00459006,-0.00534188,-0.006308506,-0.007597341,-0.058558559,-0.23539886,-0.003496503,-0.003988604,-0.00459006,-0.00534188,-0.006308506,-0.007597341,-0.058558559,-0.23539886,-0.003496503,-0.003988604,-0.00459006,-0.00534188,-0.006308506,-0.007597341,-0.058558559,-0.23539886,-0.003496503,-0.003988604,-0.00459006,-0.00534188,-0.006308506,-0.007597341,-0.058558559,-0.23539886,-0.003496503,-0.003988604,-0.00459006,-0.00534188,-0.006308506,-0.007597341,-0.208684094,-0.195355191,0.003642987,0.003642987,0.003642987,0.003642987,0.003642987,0.003642987,1.609035919,1.418249548,0.936982518,0.934596942,0.93244755,0.929787539,0.926366832,0.921789145,1.583333333,1.439547721,0.955905206,0.951353276,0.945789807,0.93883547,0.92989418,0.91797246,1.583333333,1.439547721,0.955905206,0.951353276,0.945789807,0.93883547,0.92989418,0.91797246,1.583333333,1.439547721,0.955905206,0.951353276,0.945789807,0.93883547,0.92989418,0.91797246,1.583333333,1.439547721,0.955905206,0.951353276,0.945789807,0.93883547,0.92989418,0.91797246,1.583333333,1.439547721,0.955905206,0.951353276,0.945789807,0.93883547,0.92989418,0.91797246,1.790983607,1.200478142,0.814870012,0.832331512,0.853673345,0.880350638,0.914650013,0.960382514,99.25747698,49.62873849,78.97647876,99.25747698,8.271456415,49.62873849,-1.42E-14,0,0,0,68.72631161,5.727192634,5.076158542,99.25747698,49.62873849,78.97647876,99.25747698,8.271456415,49.62873849,-1.42E-14,0,0,0,68.72631161,5.727192634,5.076158542,99.25747698,49.62873849,78.97647876,99.25747698,8.271456415,49.62873849,-1.42E-14,0,0,0,68.72631161,5.727192634,5.076158542,99.25747698,49.62873849,78.97647876,99.25747698,8.271456415,49.62873849,-1.42E-14,0,0,0,68.72631161,5.727192634,5.076158542,99.25747698,49.62873849,78.97647876,99.25747698,8.271456415,49.62873849,-1.42E-14,0,0,0,68.72631161,5.727192634,5.076158542,99.25747698,49.62873849,78.97647876,99.25747698,8.271456415,49.62873849,-1.42E-14,0,0,0,68.72631161,5.727192634,5.076158542,108.2394884,54.05029977,86.54088184,108.1237477,9.010312307,54.05029977,-0.138888889,2.78E-16,2.31E-17,-42.98461181,68.13911138,5.678259282,5.065861645,0,11.89,12.11019763,-0.170505179,0.049911191,5.116124313,7.525212172,11,37,37,37,11,0,0,0,0,0,28.423382,3.52894746,3.399237023,3.193005327,2.924908085,2.614822097,2.286848729,1.967238684,1.680588916,1.942487737,1.854270987,1.714265622,1.534314666,1.331941168,1.128249307,0.943048402,0.789380648,3.557364259,3.430519255,3.229070828,2.967707579,2.666371748,2.349206476,2.04228093,1.769457302,1.882894522,1.788968513,1.640340702,1.449638723,1.234963378,1.018022302,0.819627242,0.654119861,3.681319979,3.567149418,3.386573208,3.154040823,2.889287507,2.615989679,2.35858844,2.137101907,1.705877538,1.594221836,1.417718005,1.190684542,0.93272357,0.667317926,0.418483741,0.205457901,3.578244335,3.453519596,3.255597664,2.999172989,2.704210161,2.394845485,2.096960386,1.833822784,1.844802616,1.747146488,1.592786453,1.394808121,1.171681479,0.945513608,0.737788127,0.563769007,3.74112476,3.633064887,3.462337093,3.243023134,2.994490432,2.739906474,2.50265244,2.300875329,1.650062983,1.532686302,1.346882005,1.107225182,0.833579322,0.54982705,0.280916655,0.047872875,3.58776797,3.493419117,3.326395621,3.091102139,2.806488016,2.501394518,2.207776023,1.952522827,1.814060284,1.692388138,1.507208268,1.281367708,1.039650088,0.803595146,0.589340773,0.407936188,0,0,0,0,0,2,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.071067812,5.914213562,3.828427125,2.457106781,1.560660172,0.978553391,0.603553391,0.364276695,0.755922318,0.537655778,0.382842712,0.273011865,0.195082521,0.139793342,0.100592232,0.072855339,9.071067812,5.914213562,3.828427125,2.457106781,1.560660172,0.978553391,0.603553391,0.364276695,0.755922318,0.537655778,0.382842712,0.273011865,0.195082521,0.139793342,0.100592232,0.072855339,19.04376145,36.5418791,34.43137255,34.88,22.38120838,292.6246216,0.501151617,0.961628397,0.906088751,0.917894737,0.588979168,7.700647936,4.9272,57.518,49.62873849,78.97647876,99.25747698,8.271456415,49.62873849,0,0,0,68.72631161,5.727192634,5.076158542,182,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,2,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.4,0,0,0,0,0,0,0,0,0,0,0,4.558032194,0,14.44196781,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.279016097,0,1.370867769,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.279016097,0,1.475907029,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19,1.583333333,0.2,2.279016097,0.2,1.370867769,8.93009839,0.129132231,0.279016097,1.116064388,0.129132231,0.279016097,1.116064388,6,0.5,0,0,0.42632,0.7,0.42632,0.42632,0.7,0,0,0,0,0.71429,0,0,0.16667,0,0,5.5,0.45833,5.5,0.45833,0,0,-5.5,-0.45833,0,0,13.87794,1.15649,13.87794,0,0,5.91421,0.49285,5.91421,0,0,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,11,0,0,0,0,0,0,1,0.899743759,1.105013997,1.828234437,2.273728829,2.359806304,2.266270437,34.19026283,41.99053189,69.47290861,86.4016955,89.67263955,86.1182766,0.171447444,0.210561978,0.348372654,0.43326224,0.449664424,0.431841033,4.348183755,4.142913516,3.419693076,2.974198684,2.88812121,2.981657077,0.17271366,0.212117072,0.350945542,0.436462076,0.452985398,0.435030372,6.679290299,9.14253316,11.95971807,13.12904028,13.21579131,12.40118171,47.55009265,42.83293845,40.35187352,38.32249391,38.76277601,40.66555565,12,11,11.11111111,12,0,12,2.78,1.7994,0.090909091,4.416250426,0,0,15.15959565,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,5.762,10,9,8,7,6,5,4,3,2,77,2.48490665,2.397895273,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,4.356708827,1,0.454545455,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0.818181818,11,1,1,6,11,0.833333333,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.045454545,0.022222222,0.013888889,0.01,0.007936508,0.006802721,0.00625,0.00617284,0.006666667,0.008264463,0.133658855,49.62873849,78.97647876,99.25747698,8.271456415,49.62873849,0,0,0,68.72631161,5.727192634,5.076158542,0,216.1082742,4.584962501,3.761200116,4.394449155,5.043425117,5.693732139,6.350885717,7.007600614,7.668093709,8.327726166,8.989818381,80.23693111,3.135494216,0,4.143134726,0,5.283203729,0,6.484635236,0,7.72001794,8.07059354,170.2034508,4.47903818,22.82859468,1.90238289,0,0,0,286,9,7.168,42,1.234891892,2.132503406,2.857894351,3.598054302,4.934820668,5.950691509,7.270218118,8.373373657,9.673339258,10.80946752,74.78950626,66.97813564,65.78900354,86.44758844,106.690979,125.1792705,141.6643964,154.4875406,161.8496639,159.2634752,281.4980232,317.4695572,323.4163141,432.0974426,546.924099,655.7484842,761.0404991,854.3261576,932.3803458,979.0885251,8.980981064,15.16284931,19.9539809,25.2370927,34.46214778,41.57275631,50.66838776,58.31671856,67.21803645,74.96591324,2.133680728,2.682531355,2.869906545,3.809702439,4.910188898,5.916785523,6.959818851,7.888285196,8.758169356,9.400108443,177.1688144,330.3118942,471.0336093,583.8691957,812.3618894,978.0537198,1204.236233,1389.678559,1616.804219,1817.323534,2.343912162,3.367361481,3.991382611,5.202528276,6.934579334,8.418404998,10.15533133,11.72205812,13.44818352,15.04401699,0.442396824,0.567493413,0.613907709,0.813251129,1.052026226,1.268450956,1.495837101,1.697954024,1.890860591,2.036613951,565.9704829,376.0709086,14.18614997,175.8923076,-116.8753176,-10.44109382,390.0781753,492.9462262,24.62724378,0.762904529,0.506927849,0.019122337,0.237095471,-0.157543038,-0.014074158,419.8724418,278.9930137,10.5241768,130.4879582,-86.70544925,-7.745858994,0.039728936,0.098071827,0.603794291,6.51388679,741.8627905,0,1,0,682.8972606,26.13230301,8.806130631,934.7601987,30.57384828,9.777625614,1112.858278,33.35953054,10.3628677,3.971916895,3.971916895,3275.079927,3239.758867,75.3550872,1.010902373,43.46196187,42.9932336,5.853876814,8.108225633,14.98111926,0.847644594,7.251414389,10.43377051,3.891744555,45.79180571,19.36622154,0.143592657,7.538811728,9.307428062,30.31477674,1.333009131,2.191146801,30.3071148,4.891994661,28.88687709,2.706752457,0.75682336,10.32626676,4.699808696,19.10947617,4.287084871,1.746932257,2.848391874,5.278308512,5.222744109,5.795344082,2.233802734,1.989911868,0.130272743,2.290155724,4.06E-12,0.608560961,10.43322789,0.27371406,10.17600195,0.140224588,0.001272345,1.1357648,0.339892248,8.480201019,0.04645854,0.020306952,1.903083318,0.152788176,6.595073366,0.114385935,0.066541017,0.396576633,0.087008431,4.082193119,0.186279772,0.159162009,0.057239027,0.070902328,1.641441482,0.251813889,0.18311135,0.014214733,0.010932693,0.016129754,2.86E-14,1.964508966,10.43326517,0.918435115,12.702439,1.431202641,0.010982686,2.442633294,1.387943203,11.313443,0.193075451,0.168723708,6.477607229,0.663066262,10.16391581,0.443561115,0.196248078,1.575074558,0.483437621,6.580095965,0.715661566,0.476200674,0.30187882,0.474048555,2.372458181,0.96743707,0.571504177,0.146259318,0.035292194,0.168084473,2.98E-13,6.844743662,10.4337113,3.637069366,41.9333358,17.25758965,0.128037963,7.146775832,8.481649689,28.40368239,1.213212063,1.953995172,28.1354616,4.440158769,27.17500559,2.477302595,0.710604604,9.418255338,4.224563299,17.98805139,3.927189547,1.647232827,2.562512006,4.726100729,5.003498084,5.308831051,2.097578177,1.773006326,0.122966708,2.04048752,3.61E-12,2.895324763,10.43331258,1.388865912,15.84520449,3.099346739,0.023391057,3.339796113,2.339712326,13.74047319,0.328164827,0.358109076,9.981110779,1.149077137,12.90520926,0.72890838,0.288611723,2.63597313,0.917437682,8.463920141,1.170422119,0.695933769,0.566343509,0.946703008,2.874279272,1.582188033,0.847089792,0.317439761,0.052014331,0.365101936,6.47E-13,8.757133046,10.43401927,4.872367764,61.98333498,28.2313324,0.208953203,8.990396369,12.67919051,38.04288388,1.823156327,3.187585543,38.8391569,6.748543555,35.61936725,3.636629969,0.932447083,14.02899141,6.67839867,23.49035608,5.743202834,2.118909837,4.03745872,7.587909569,6.03451487,7.763751638,2.750310355,2.901964906,0.157323842,3.339976892,5.92E-12,4.672549992,9.931618995,2.243322926,23.99477829,7.735365756,0.057674353,4.857630517,4.424364118,18.87115158,0.627895712,0.881014599,17.07234538,2.258364048,18.56488649,1.326991147,0.440729643,5.145471416,2.014564969,12.76177786,2.115008627,1.04394244,1.275618902,2.192970545,4.690494318,2.859094864,1.704775143,0.794060728,0.103928486,0.913524721,1.62E-12,20.59087311,0.792764996,0.522673587,0.939951618,0.036188885,0.557453063,0.644619608,0.631565298,21.90631169,27.50038627,57.93867705,0.909927426,1.833637969,18.91671345,0.325043614,0.117532518,0.977138824,0.016790059,0.470591353,0.108339475,0.031935464,19.35928958,8.410289051,28.49225751,0.965708236,0.610866292,19.59851142,0.515643469,0.282548307,0.960866628,0.025280726,0.505074018,0.272789483,0.18456212,20.3967032,15.78906482,39.04115725,0.941299942,0.962425621,20.55108734,0.781661027,0.513047692,0.940734194,0.035780844,0.55530313,0.626707579,0.608516878,21.84579606,27.00870136,57.09608736,0.91110129,1.790527588,19.8951253,0.598509887,0.354327761,0.954295887,0.028708315,0.520457976,0.367525933,0.290246848,20.84796295,19.16889308,44.23598877,0.931443831,1.178230758,20.71491007,0.827379686,0.552682864,0.937539522,0.037446513,0.564182526,0.702066084,0.706169817,22.09497262,29.04515019,60.61260737,0.906309283,1.972418427,20.61946639,0.783492374,0.514825074,0.940764201,0.035746879,0.558999082,0.629597328,0.612740425,21.91778384,27.1739745,57.40885763,0.911146301,1.801336835 +UMLKV0011,L,N-TRIDECANE,CCCCCCCCCCCCC,C13H28,Normal paraffin,Alkanes,629-50-5,3.251478955,PubChem,,1.7546,0,-3.0654,9.39667716,43.825,41.550204,0,0,41,13,28,0,13,0,0,0,0,0,0,0,0,0,1903.883365,2070.167916,2209.532819,2052.402586,1855.645857,1658.889128,1462.132399,1265.37567,1068.618941,6376.064567,8294.828079,10923.94039,11129.40808,10122.60974,9115.811391,8109.013046,7102.214701,6095.416356,286.1437,289.779888,553.041164,752.17636,689.29146,626.40656,563.52166,500.63676,437.75186,48.70486134,64.64604068,93.91353488,102.2319093,93.21038045,84.18885159,75.16732273,66.14579387,57.12426502,6826.020886,5808.963609,12194.46539,17927.29866,16448.34351,14969.38835,13490.4332,12011.47804,10532.52289,60.75,73.5,120.25,147,134.75,122.5,110.25,98,85.75,46.43617963,51.7541979,28.32734383,19.00372765,18.74389755,18.43210142,18.05101727,17.57466208,16.96220541,155.5137699,207.370702,140.0505179,103.0500748,102.2485832,101.2867932,100.1112722,98.64187085,96.75264057,6.979114634,7.2444972,7.090271333,6.964595926,6.96254,6.960072889,6.957057531,6.953288333,6.948442222,1.187923447,1.616151017,1.204019678,0.946591753,0.941518994,0.935431684,0.927991639,0.918691582,0.906734365,166.4883143,145.2240902,156.3392998,165.9935061,166.1448839,166.3265372,166.548558,166.8260839,167.1829029,1.481707317,1.8375,1.541666667,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,0.058253566,-0.004413885,-0.027398481,-9.91E-05,-2.82E-06,-2.45E-08,7.70E-11,3.61E-09,9.63E-08,1074.829934,-56.46386143,-482.7516111,-8.354346844,-8.642427769,-8.930508695,-9.21858962,-9.506670546,-9.794751472,1998.692158,-104.9969614,-897.6972351,-15.5352647,-16.07096348,-16.60666226,-17.14236105,-17.67805983,-18.21375861,0.210551805,-0.011060883,-0.094567726,-0.001636559,-0.001692992,-0.001749425,-0.001805858,-0.001862291,-0.001918725,8.935083895,-0.46938527,-4.01312432,-0.069449861,-0.071844684,-0.074239507,-0.07663433,-0.079029153,-0.081423975,48.53551753,-2.549708238,-21.799355,-0.377252749,-0.390261465,-0.40327018,-0.416278896,-0.429287611,-0.442296327,3.37804878,-0.649315883,-1.274092802,0.028554432,0.026174896,0.02379536,0.021415824,0.019036288,0.016656752,0.001420819,-1.10E-04,-3.51E-04,-9.18E-07,-2.85E-08,-2.72E-10,9.51E-13,5.01E-11,1.53E-09,26.21536423,-1.411596536,-6.18912322,-0.077355063,-0.08729725,-0.099227874,-0.113809748,-0.132037091,-0.155472246,48.74858923,-2.624924035,-11.50893891,-0.143845044,-0.162332964,-0.18451847,-0.211634087,-0.245528609,-0.28910728,0.00513541,-2.77E-04,-0.001212407,-1.52E-05,-1.71E-05,-1.94E-05,-2.23E-05,-2.59E-05,-3.05E-05,0.217928875,-0.011734632,-0.051450312,-6.43E-04,-7.26E-04,-8.25E-04,-9.46E-04,-0.001097627,-0.001292444,1.18379311,-0.063742706,-0.27947891,-0.003493081,-0.003942035,-0.00448078,-0.005139246,-0.005962328,-0.007020577,0.082391434,-0.016232897,-0.016334523,2.64E-04,2.64E-04,2.64E-04,2.64E-04,2.64E-04,2.64E-04,-0.07766446,-0.247225478,-6.46E-04,-2.00E-05,-1.91E-07,6.69E-10,3.53E-08,1.08E-06,-0.053846154,-0.23608763,-0.002950753,-0.003330003,-0.003785104,-0.004341338,-0.00503663,-0.005930577,-0.053846154,-0.23608763,-0.002950753,-0.003330003,-0.003785104,-0.004341338,-0.00503663,-0.005930577,-0.053846154,-0.23608763,-0.002950753,-0.003330003,-0.003785104,-0.004341338,-0.00503663,-0.005930577,-0.053846154,-0.23608763,-0.002950753,-0.003330003,-0.003785104,-0.004341338,-0.00503663,-0.005930577,-0.053846154,-0.23608763,-0.002950753,-0.003330003,-0.003785104,-0.004341338,-0.00503663,-0.005930577,-0.197021661,-0.198255114,0.003208985,0.003208985,0.003208985,0.003208985,0.003208985,0.003208985,1.601209482,1.424141285,0.94164583,0.939596854,0.937830166,0.93569475,0.93302569,0.92959307,1.576923077,1.444068752,0.95950346,0.955710956,0.951159951,0.945597612,0.938644689,0.929705215,1.576923077,1.444068752,0.95950346,0.955710956,0.951159951,0.945597612,0.938644689,0.929705215,1.576923077,1.444068752,0.95950346,0.955710956,0.951159951,0.945597612,0.938644689,0.929705215,1.576923077,1.444068752,0.95950346,0.955710956,0.951159951,0.945597612,0.938644689,0.929705215,1.576923077,1.444068752,0.95950346,0.955710956,0.951159951,0.945597612,0.938644689,0.929705215,1.776173285,1.21447746,0.822302447,0.8372534,0.855194545,0.87712261,0.904532692,0.939774225,116.6278252,58.31391262,92.72762715,116.6278252,8.971371172,58.31391262,4.97E-14,5.00E-16,3.84E-17,-45.80254012,2000042.483,153849.4218,18.86128267,116.6278252,58.31391262,92.72762715,116.6278252,8.971371172,58.31391262,4.97E-14,5.00E-16,3.84E-17,-45.80254012,2000042.483,153849.4218,18.86128267,116.6278252,58.31391262,92.72762715,116.6278252,8.971371172,58.31391262,4.97E-14,5.00E-16,3.84E-17,-45.80254012,2000042.483,153849.4218,18.86128267,116.6278252,58.31391262,92.72762715,116.6278252,8.971371172,58.31391262,4.97E-14,5.00E-16,3.84E-17,-45.80254012,2000042.483,153849.4218,18.86128267,116.6278252,58.31391262,92.72762715,116.6278252,8.971371172,58.31391262,4.97E-14,5.00E-16,3.84E-17,-45.80254012,2000042.483,153849.4218,18.86128267,116.6278252,58.31391262,92.72762715,116.6278252,8.971371172,58.31391262,4.97E-14,5.00E-16,3.84E-17,-45.80254012,2000042.483,153849.4218,18.86128267,126.5277383,63.19335635,101.0351384,126.408409,9.723723766,63.19335635,-0.141025641,5.55E-16,4.27E-17,-45.66557145,2000042.234,153849.4026,18.86128251,0,11.89,12.11021952,-0.170505185,0.049934926,5.116742619,7.563559586,12,40,40,40,12,0,0,0,0,0,30.609796,3.534695007,3.421506728,3.240434238,3.002657471,2.723412244,2.421386886,2.117523553,1.832789367,1.946138895,1.868474711,1.744534289,1.583444796,1.398725651,1.207149536,1.025715221,0.867589633,3.562967094,3.452213254,3.275213493,3.043184899,2.771430294,2.478707924,2.185922364,1.913676022,1.886836538,1.804245371,1.672760438,1.502127414,1.306339283,1.102614437,0.908655777,0.738663915,3.686284535,3.58632895,3.427185073,3.219946988,2.979837754,2.725431246,2.476807308,2.252266512,1.710715507,1.612908756,1.45726677,1.254794806,1.020626549,0.773216951,0.532389724,0.315923413,3.58374024,3.474789313,3.300796438,3.072992658,2.806711216,2.520734603,2.235899348,1.972489082,1.848933904,1.763131289,1.626650565,1.449590457,1.246238183,1.034103142,0.831352028,0.652897739,3.745781613,3.651051185,3.500387276,3.304628607,3.078743175,2.840981219,2.610768923,2.405132548,1.655188882,1.552496916,1.388866463,1.17547241,0.927617558,0.663992669,0.404969252,0.169497373,3.594758742,3.511935602,3.365988661,3.159207295,2.904952603,2.624796697,2.344212626,2.087235039,1.816223703,1.710210436,1.546694942,1.343280038,1.120073093,0.89583097,0.685520107,0.500010794,0,0,0,0,0,2,11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.778174593,6.414213562,4.181980515,2.707106781,1.737436867,1.103553391,0.691941738,0.426776695,0.752167276,0.534517797,0.380180047,0.270710678,0.193048541,0.137944174,0.09884882,0.071129449,9.778174593,6.414213562,4.181980515,2.707106781,1.737436867,1.103553391,0.691941738,0.426776695,0.752167276,0.534517797,0.380180047,0.270710678,0.193048541,0.137944174,0.09884882,0.071129449,20.58558925,39.42971595,37.15686275,37.64,24.17976287,315.6528766,0.502087543,0.961700389,0.906264945,0.91804878,0.589750314,7.69885065,5.3173,62.135,58.31391262,92.72762715,116.6278252,8.971371172,58.31391262,5.00E-16,3.84E-17,-45.80254012,2000042.483,153849.4218,18.86128267,216,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13,0,0,0,0,0,0,0,0,0,0,0,2,0,11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.6,0,0,0,0,0,0,0,0,0,0,0,4.564976638,0,15.93502336,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.282488319,0,1.371527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.282488319,0,1.479591837,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.5,1.576923077,0.2,2.282488319,0.2,1.371527778,9.652751168,0.128472222,0.282488319,1.129953277,0.128472222,0.282488319,1.129953277,6.5,0.5,0,0,0.42683,0.7,0.42683,0.42683,0.7,0,0,0,0,0.71429,0,0,0.15385,0,0,6,0.46154,6,0.46154,0,0,-6,-0.46154,0,0,15.46341,1.18949,15.46341,0,0,6.41421,0.4934,6.41421,0,0,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,12,0,0,0,0,0,0,1,0.901170196,1.097559672,1.793000892,2.230237139,2.341901631,2.302012069,36.94797804,44.99994657,73.51303656,91.4397227,96.01796685,94.38249483,0.16820559,0.204862159,0.33466794,0.41627914,0.437121586,0.429676103,4.456381809,4.259992332,3.564551113,3.127314865,3.015650374,3.055539936,0.169331524,0.206233465,0.336908139,0.419065628,0.44004759,0.432552268,6.683794724,9.04046844,11.75866302,12.97087497,13.2260619,12.74738717,51.50405783,46.68222344,44.06957826,41.82900942,41.94941509,43.28592445,13,12,12,13,0,13,2.89,1.9403,0.083333333,4.481346495,0,0,17.15864512,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,6.261,11,10,9,8,7,6,5,4,3,88,2.564949357,2.48490665,2.397895273,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,4.48863637,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0.833333333,12,1,1,6,12,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.041666667,0.02020202,0.0125,0.008888889,0.006944444,0.005830904,0.005208333,0.004938272,0.005,0.005509642,0.123633615,58.31391262,92.72762715,116.6278252,8.971371172,58.31391262,5.00E-16,3.84E-17,-45.80254012,2000042.483,153849.4218,18.86128267,0,233.4042588,4.700439718,3.850147602,4.48863637,5.141663557,5.796057751,6.456769656,7.117205503,7.78113851,8.444407422,9.109967398,83.18599377,3.218875825,0,4.234106505,0,5.379897354,0,6.586171655,0,7.826044014,8.174702882,184.2191009,4.493148802,24.8285109,1.909885454,0,0,0,364,10,7.737,46,1.236,2.134690568,2.859550192,3.600553318,4.937498014,5.954465365,7.274639412,8.379746612,9.681674954,10.82271895,75.34690915,67.79387141,66.75318973,87.97168168,109.0331762,128.6820866,146.9388091,162.5151171,174.5252647,180.3765721,282.8961702,320.0172344,326.2880571,436.7378399,553.9852703,666.4131836,777.0398412,878.8092908,970.9682763,1043.582346,8.990608852,15.18379339,19.97178463,25.26509791,34.497144,41.62424839,50.73730852,58.42012125,67.36957563,75.21557357,2.141810782,2.699114249,2.888073062,3.839322691,4.95487068,5.984525908,7.061065214,8.043531706,9.002362052,9.808752731,177.2301182,330.2576192,470.8552597,583.5118591,811.6162395,976.8390191,1202.185466,1386.418316,1611.347553,1807.9955,2.3372625,3.369935474,3.993399652,5.205409324,6.937763372,8.422766121,10.16054996,11.72943894,13.45799018,15.05938555,0.44399025,0.570810904,0.617519956,0.819149095,1.060903612,1.281917089,1.515943927,1.728793715,1.939342892,2.117760925,602.7815712,432.3561302,15.16523762,189.666817,-136.0420008,-11.32770666,413.1147543,568.398131,26.49294428,0.760657199,0.545595318,0.019137193,0.239342801,-0.171673011,-0.014294567,477.6732846,342.6199185,12.01766811,150.3011634,-107.8062643,-8.976622881,0.036804526,0.090852853,0.559349565,6.034405755,792.4483882,0,1,0,744.9788298,27.29430032,9.065281832,1016.21584,31.87814047,10.05376323,1226.905527,35.02721124,10.70541993,3.798190389,3.798190389,4144.818251,4105.893985,82.28752649,1.009480095,50.36994582,49.89691829,6.177704174,8.108225633,16.21004707,0.999210161,7.809215496,11.38228782,4.188077061,50.76468348,21.34107119,0.143608298,8.333124803,9.445455534,34.67917528,1.363820883,2.191552878,34.856341,5.002533246,34.85191371,2.706820638,0.75886388,13.37466182,4.699819684,25.92073119,4.287085487,1.753018195,5.46367067,5.278308532,12.37413026,5.795343434,2.673429216,0.056288164,3.600274094,0.547888455,3.350603732,0.655373343,11.38170309,0.295830992,11.18939454,0.154290933,0.001287857,1.258323867,0.340864742,9.559153173,0.046675577,0.020713029,2.215446538,0.153566709,7.74470933,0.114386416,0.068580005,0.498554935,0.087008511,5.193150633,0.186279776,0.165184349,0.093971273,0.070902334,2.644412362,0.251813885,0.200000854,0.005023357,0.057802452,0.545757413,0.279294176,2.115625041,11.38174326,0.991644772,13.98364395,1.576549609,0.010998207,2.702296515,1.398074552,12.80805052,0.195336929,0.169129784,7.519162905,0.671179169,12.05116076,0.44356612,0.198287379,2.002682086,0.483438429,8.569871243,0.715661612,0.482235963,0.539976362,0.474048562,4.277982741,0.967437023,0.616735589,0.015415032,0.347598297,0.545900354,0.902846805,7.371262406,11.38222401,3.914888025,46.47264005,19.01725345,0.12805359,7.899959245,8.604629927,32.47674679,1.240664798,1.95440125,32.37732457,4.538646658,32.75846182,2.477363343,0.71264503,12.18870494,4.224573089,24.34960866,3.927190095,1.65331486,4.904970045,4.726100748,11.65379082,5.308830474,2.49082502,0.053124098,3.23011999,0.547654677,3.161389183,3.118042053,11.38179435,1.49859825,17.47071106,3.414672656,0.02340659,3.693581539,2.361718094,15.59612222,0.333076993,0.358515152,11.56350902,1.166699455,15.37163932,0.72891925,0.290651238,3.369004826,0.917439435,11.14151983,1.170422217,0.701977957,1.039162639,0.946703016,5.504033968,1.582187929,0.928982914,0.022570138,0.675189247,0.546085194,1.331895907,9.430758665,11.38255588,5.2392091,68.77860708,31.11095189,0.208968903,9.937000161,12.88048945,43.58837857,1.868092282,3.187991621,44.5808947,6.909753693,43.09576215,3.636729403,0.93448795,18.21727443,6.678414694,32.08101041,5.743203732,2.125010248,7.793402951,7.587909596,15.18280262,7.763750693,3.384935958,0.068032423,5.144833474,0.548871341,4.052532535,5.047087945,10.87074283,2.43315176,26.68951354,8.592963338,0.058158291,5.394727283,4.515915184,21.56347495,0.645401689,0.888559304,19.75785189,2.321214211,22.21173491,1.33782904,0.446165889,6.620008862,2.030981255,16.78486731,2.132239017,1.057932716,2.384460351,2.210835823,8.720727385,2.882386523,1.499483511,0.045167421,1.591340904,0.878727071,2.684902106,23.9749118,0.801932507,0.524714349,0.947566596,0.031694984,0.557624161,0.650183061,0.634133493,25.30155866,32.22702685,67.61688058,0.921349893,1.841940714,22.17007845,0.329101241,0.117620803,0.980248221,0.014551185,0.476828281,0.109501244,0.031864205,22.61680049,9.942571908,33.41755734,0.970372332,0.618193731,22.90382492,0.521328559,0.283122761,0.966068755,0.021989307,0.508913037,0.274778689,0.184622396,23.70827624,18.57261218,45.66149255,0.949103133,0.968314122,23.93189821,0.790663781,0.515012314,0.948264596,0.031328834,0.555625079,0.632038748,0.610899876,25.2375743,31.65450898,66.63719013,0.922396894,1.798563703,23.22358094,0.605098421,0.355246101,0.960289965,0.025020687,0.523221906,0.370179235,0.290665476,24.18392546,22.5175976,51.69363742,0.940434948,1.184066617,24.10905048,0.837074234,0.554970323,0.945412362,0.032825031,0.563881386,0.70841535,0.70937247,25.50109504,34.02542386,70.72641104,0.918118542,1.981669207,24.00798455,0.792726224,0.516860549,0.948273602,0.031311306,0.559163677,0.635340389,0.615292442,25.31757132,31.85026793,67.00460463,0.922410403,1.809796508 +UMLKV0012,L,N-TETRADECANE,CCCCCCCCCCCCCC,C14H30,Normal paraffin,Alkanes,629-59-4,3.326059562,PubChem,,2.2511,0,-3.3534,11.24529156,46.7366,44.64379,0,0,44,14,30,0,14,0,0,0,0,0,0,0,0,0,2050.179614,2238.646213,2403.241356,2249.159315,2052.402586,1855.645857,1658.889128,1462.132399,1265.37567,6861.748957,8947.818214,11837.4875,12136.20643,11129.40808,10122.60974,9115.811391,8109.013046,7102.214701,307.121144,311.555668,595.770672,815.06126,752.17636,689.29146,626.40656,563.52166,500.63676,52.38298715,69.6620293,101.601225,111.2534382,102.2319093,93.21038045,84.18885159,75.16732273,66.14579387,7322.650546,6242.003061,13118.66759,19406.25382,17927.29866,16448.34351,14969.38835,13490.4332,12011.47804,65,78.75,129.5,159.25,147,134.75,122.5,110.25,98,46.59499123,52.06153984,28.61001614,19.22358389,19.00372765,18.74389755,18.43210142,18.05101727,17.57466208,155.9488399,208.0887957,140.9224703,103.7282601,103.0500748,102.2485832,101.2867932,100.1112722,98.64187085,6.980026,7.245480651,7.092508,6.966335556,6.964595926,6.96254,6.960072889,6.957057531,6.953288333,1.190522435,1.620047193,1.209538393,0.950884087,0.946591753,0.941518994,0.935431684,0.927991639,0.918691582,166.423876,145.1628619,156.1746141,165.8654172,165.9935061,166.1448839,166.3265372,166.548558,166.8260839,1.477272727,1.831395349,1.541666667,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,0.062434921,-0.004413885,-0.029489158,-9.91E-05,-2.82E-06,-2.45E-08,8.52E-13,7.70E-11,3.61E-09,1155.630086,-56.280686,-522.2847661,-7.754227849,-8.004364231,-8.254500614,-8.504636996,-8.754773378,-9.00490976,2148.943492,-104.6563389,-971.2108249,-14.4193178,-14.88445709,-15.34959637,-15.81473565,-16.27987494,-16.74501422,0.22638,-0.011025,-0.102312,-0.001519,-0.001568,-0.001617,-0.001666,-0.001715,-0.001764,9.606777264,-0.467862529,-4.34176427,-0.06446106,-0.066540449,-0.068619838,-0.070699227,-0.072778616,-0.074858005,52.18416657,-2.541436684,-23.58453242,-0.350153499,-0.361448773,-0.372744047,-0.384039321,-0.395334595,-0.406629869,3.545454545,-0.646694215,-1.359504132,0.026859504,0.024793388,0.022727273,0.020661157,0.018595041,0.016528926,0.001418975,-1.03E-04,-3.51E-04,-8.47E-07,-2.61E-08,-2.47E-10,9.46E-15,9.51E-13,5.01E-11,26.26432013,-1.308853163,-6.217675787,-0.066275452,-0.074114484,-0.083378794,-0.094495967,-0.108083622,-0.125068191,48.83962482,-2.433868346,-11.56203363,-0.123242033,-0.137819047,-0.155046428,-0.175719285,-0.20098611,-0.232569642,0.005145,-2.56E-04,-0.001218,-1.30E-05,-1.45E-05,-1.63E-05,-1.85E-05,-2.12E-05,-2.45E-05,0.218335847,-0.010880524,-0.05168767,-5.51E-04,-6.16E-04,-6.93E-04,-7.86E-04,-8.99E-04,-0.001039695,1.186003786,-0.059103179,-0.280768243,-0.002992765,-0.003346748,-0.003765091,-0.004267104,-0.004880674,-0.005647637,0.080578512,-0.0150394,-0.016184573,2.30E-04,2.30E-04,2.30E-04,2.30E-04,2.30E-04,2.30E-04,-0.072339855,-0.247404847,-5.97E-04,-1.84E-05,-1.74E-07,6.67E-12,6.70E-10,3.53E-08,-0.049833887,-0.236734694,-0.002523403,-0.002821869,-0.003174603,-0.003597884,-0.004115226,-0.004761905,-0.049833887,-0.236734694,-0.002523403,-0.002821869,-0.003174603,-0.003597884,-0.004115226,-0.004761905,-0.049833887,-0.236734694,-0.002523403,-0.002821869,-0.003174603,-0.003597884,-0.004115226,-0.004761905,-0.049833887,-0.236734694,-0.002523403,-0.002821869,-0.003174603,-0.003597884,-0.004115226,-0.004761905,-0.049833887,-0.236734694,-0.002523403,-0.002821869,-0.003174603,-0.003597884,-0.004115226,-0.004761905,-0.186642815,-0.200854701,0.002849003,0.002849003,0.002849003,0.002849003,0.002849003,0.002849003,1.59443134,1.429240693,0.945664428,0.943879576,0.942401263,0.940648836,0.938507197,0.935830115,1.571428571,1.447959184,0.962555963,0.959347443,0.955555556,0.951005291,0.945443857,0.938492063,1.571428571,1.447959184,0.962555963,0.959347443,0.955555556,0.951005291,0.945443857,0.938492063,1.571428571,1.447959184,0.962555963,0.959347443,0.955555556,0.951005291,0.945443857,0.938492063,1.571428571,1.447959184,0.962555963,0.959347443,0.955555556,0.951005291,0.945443857,0.938492063,1.571428571,1.447959184,0.962555963,0.959347443,0.955555556,0.951005291,0.945443857,0.938492063,1.762820513,1.227258852,0.829278983,0.842236467,0.857549858,0.875925926,0.898385565,0.926460114,135.3878201,67.69391003,107.5789012,135.3878201,9.670558576,67.69391003,-1.42E-14,2.22E-16,1.59E-17,-50.46111474,90.61877603,6.472769716,6.309326006,135.3878201,67.69391003,107.5789012,135.3878201,9.670558576,67.69391003,-1.42E-14,2.22E-16,1.59E-17,-50.46111474,90.61877603,6.472769716,6.309326006,135.3878201,67.69391003,107.5789012,135.3878201,9.670558576,67.69391003,-1.42E-14,2.22E-16,1.59E-17,-50.46111474,90.61877603,6.472769716,6.309326006,135.3878201,67.69391003,107.5789012,135.3878201,9.670558576,67.69391003,-1.42E-14,2.22E-16,1.59E-17,-50.46111474,90.61877603,6.472769716,6.309326006,135.3878201,67.69391003,107.5789012,135.3878201,9.670558576,67.69391003,-1.42E-14,2.22E-16,1.59E-17,-50.46111474,90.61877603,6.472769716,6.309326006,135.3878201,67.69391003,107.5789012,135.3878201,9.670558576,67.69391003,-1.42E-14,2.22E-16,1.59E-17,-50.46111474,90.61877603,6.472769716,6.309326006,146.2064074,73.03177513,116.6279017,146.0839584,10.43456846,73.03177513,-0.142857143,3.89E-16,2.78E-17,-49.67765264,90.11960886,6.437114918,6.301592885,0,11.89,12.11024183,-0.170505192,0.049959163,5.117051641,7.584266683,13,43,43,43,13,0,0,0,0,0,32.79621,3.539392363,3.439778979,3.279622677,3.067597788,2.815569312,2.53821035,2.252277703,1.975277516,1.949162914,1.880267816,1.769816863,1.624969986,1.456317862,1.277259004,1.102114172,0.943256346,3.567549717,3.470027998,3.31337624,3.106305954,2.86074544,2.591444339,2.315187608,2.049322912,1.890094277,1.816910394,1.699816705,1.546463545,1.367833048,1.177667614,0.990787598,0.820351185,3.690359788,3.602137582,3.460910804,3.275337981,3.057339448,2.821626334,2.584597367,2.362277252,1.714689878,1.628322732,1.490134064,1.308721824,1.095945939,0.866443096,0.636457201,0.421674621,3.588238014,3.492266476,3.338205129,3.13478293,2.893960727,2.630524496,2.361250147,2.103327575,1.852343434,1.776369619,1.654892311,1.495836074,1.310419789,1.112606547,0.917541017,0.73890927,3.749611492,3.665902854,3.532041109,3.356505958,3.151038983,2.930140079,2.709801863,2.505207154,1.659392592,1.568810321,1.423697728,1.232765008,1.007981458,0.764123862,0.517757021,0.285311531,3.600695798,3.527339864,3.398655154,3.215661279,2.98789559,2.731633629,2.467042274,2.214682282,1.817798328,1.724666676,1.579478598,1.395935687,1.190317332,0.97871913,0.774800427,0.588997673,0,0,0,0,0,2,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.48528137,6.914213562,4.535533906,2.957106781,1.914213562,1.228553391,0.780330086,0.489276695,0.74894867,0.531862582,0.377961159,0.268827889,0.191421356,0.136505932,0.097541261,0.069896671,10.48528137,6.914213562,4.535533906,2.957106781,1.914213562,1.228553391,0.780330086,0.489276695,0.74894867,0.531862582,0.377961159,0.268827889,0.191421356,0.136505932,0.097541261,0.069896671,22.12741706,42.3175528,39.88235294,40.4,25.97831737,338.6811317,0.502895842,0.961762564,0.906417112,0.918181818,0.590416304,7.697298449,5.7074,66.752,67.69391003,107.5789012,135.3878201,9.670558576,67.69391003,2.22E-16,1.59E-17,-50.46111474,90.61877603,6.472769716,6.309326006,254,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,0,0,0,0,0,0,0,0,0,0,0,2,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.8,0,0,0,0,0,0,0,0,0,0,0,4.570893798,0,17.4291062,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.285446899,0,1.37204142,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.285446899,0,1.481983418,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22,1.571428571,0.2,2.285446899,0.2,1.37204142,10.37545531,0.12795858,0.285446899,1.141787596,0.12795858,0.285446899,1.141787596,7,0.5,0,0,0.42727,0.7,0.42727,0.42727,0.7,0,0,0,0,0.71429,0,0,0.14286,0,0,6.5,0.46429,6.5,0.46429,0,0,-6.5,-0.46429,0,0,17.08479,1.22034,17.08479,0,0,6.91421,0.49387,6.91421,0,0,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,13,0,0,0,0,0,0,1,0.902393283,1.090652803,1.760155347,2.187878507,2.317640006,2.315738007,39.70530444,47.98872334,77.44683525,96.26665432,101.9761603,101.8924723,0.165290702,0.199774057,0.322406336,0.400752067,0.424520384,0.424171996,4.557038336,4.368778815,3.699276272,3.271553111,3.141791613,3.143693612,0.166301005,0.200995132,0.324376975,0.403201577,0.427115172,0.426764655,6.687609665,8.94672391,11.57014538,12.80546321,13.18117823,12.93432321,55.45747991,50.54214994,47.81204391,45.39515317,45.26165387,46.19625062,14,13,13.09090909,14,0,14,3,2.0812,0.076923077,4.537846782,0,0,19.17822878,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,6.76,12,11,10,9,8,7,6,5,4,99,2.63905733,2.564949357,2.48490665,2.397895273,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,4.605170186,1,0.461538462,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,0.846153846,13,1,2,7,13,0.857142857,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.038461538,0.018518519,0.011363636,0.008,0.00617284,0.005102041,0.004464286,0.004115226,0.004,0.004132231,0.114877107,67.69391003,107.5789012,135.3878201,9.670558576,67.69391003,2.22E-16,1.59E-17,-50.46111474,90.61877603,6.472769716,6.309326006,0,250.7002435,4.807354922,3.931825633,4.574710979,5.231108617,5.888877958,6.552507887,7.215975003,7.882692206,8.548885638,9.217216676,86.0438006,3.295836866,0,4.317488114,0,5.468060141,0,6.678342115,0,7.921898411,8.26898821,198.234751,4.505335249,26.82846901,1.916319215,0,0,0,455,11,8.306,50,1.236953488,2.136565279,2.860951287,3.602635831,4.939688569,5.95748445,7.278078196,8.384526328,9.687629022,10.83155323,75.82653488,68.49307351,67.56903958,89.24175938,110.9495194,131.4843395,151.04113,168.5357994,183.5792654,194.45197,284.0992269,322.2009578,328.7179935,440.6048377,559.7625923,674.9449431,789.483774,897.1716407,998.5310838,1086.578227,8.998893227,15.20174546,19.98684933,25.28843558,34.52577728,41.66544205,50.79091356,58.49767326,67.47781791,75.38201379,2.14880641,2.713328158,2.903444729,3.864006235,4.991428503,6.038718216,7.139812384,8.159966589,9.176785406,10.08118226,177.282868,330.2110977,470.7043486,583.2140785,811.0061624,975.8672585,1200.590425,1383.973134,1607.449934,1801.77681,2.331540698,3.372141754,3.99510638,5.207810197,6.940368494,8.42625502,10.1646089,11.73497456,13.46499494,15.06963126,0.445361337,0.573654468,0.620576473,0.824064066,1.068166928,1.292689995,1.53158257,1.751923484,1.973973108,2.171858908,637.4246988,490.858942,16.07362451,200.2964611,-154.2414487,-11.77816586,437.1282377,645.1003908,27.85179037,0.760903185,0.585945498,0.019187321,0.239096815,-0.184120273,-0.014059769,533.9841581,411.2029223,13.46521537,167.7925838,-129.2113254,-9.866818767,0.034281125,0.084623777,0.5209993,5.620673317,837.72116,0,1,0,807.0603989,28.40880847,9.310407276,1097.671481,33.13112557,10.31551212,1341.502179,36.62652289,11.02885586,4.350199832,4.350199832,5157.517499,5116.04324,88.16675372,1.008106706,58.49730518,58.02689816,6.481019053,9.364340827,17.45132875,0.863593933,8.367016603,12.33080513,4.484409567,55.73756124,23.31592084,0.143623938,9.127437878,9.583483007,39.04357382,1.394632635,2.191958956,39.40556719,5.113071831,40.81695032,2.706888818,0.760904399,16.42305688,4.699830672,32.73198621,4.287086103,1.759104134,8.078949466,5.278308552,19.52551641,5.795343449,2.688018791,2.11577372,4.252101,4.595864525,7.251446834,0.702185724,12.33017829,0.317947924,12.20278714,0.168357277,0.00130337,1.380882934,0.341837237,10.63810533,0.046892614,0.021119105,2.527809758,0.154345241,8.894345294,0.114386896,0.070618994,0.600533236,0.08700859,6.304108148,0.186279781,0.171206688,0.13070352,0.07090234,3.647383241,0.251813885,0.213896788,0.023955776,0.062393341,1.385581832,0.306768133,2.266741115,12.33022136,1.064854428,15.26484891,1.721896577,0.011013728,2.961959735,1.408205901,14.30265803,0.197598408,0.16953586,8.56071858,0.679292077,13.9384057,0.443571124,0.20032668,2.430289615,0.483439237,10.55964652,0.715661657,0.488271251,0.778073904,0.474048569,6.1835073,0.967437024,0.630771697,0.177642375,0.395438722,2.040868123,1.189146619,7.897781149,12.33073672,4.192706684,51.01194429,20.77691726,0.128069216,8.653142657,8.727610165,36.5498112,1.268117533,1.954807327,36.61918755,4.637134547,38.34191804,2.477424091,0.714685455,14.95915454,4.224582879,30.71116592,3.927190644,1.659396893,7.247428084,4.726100766,18.30408355,5.308830488,2.505371631,1.891030331,3.81088603,4.399333019,6.636970158,3.340759342,12.33027613,1.608330588,19.09621763,3.729998572,0.023422122,4.047366964,2.383723862,17.45177125,0.337989159,0.358921229,13.14590725,1.184321773,17.83806939,0.72893012,0.292690754,4.102036522,0.917441189,13.81911951,1.170422316,0.708022144,1.511981769,0.946703025,8.133788663,1.582187932,0.943115667,0.364291252,0.77910502,2.49070187,1.95377736,10.10438428,12.33109249,5.606050436,75.57387918,33.99057138,0.208984603,10.88360395,13.08178838,49.13387325,1.913028237,3.188397699,50.3226325,7.07096383,50.57215705,3.636828837,0.936528817,22.40555745,6.678430718,40.67166473,5.74320463,2.131110659,11.54934718,7.587909622,24.33109038,7.763750715,3.399685177,3.057674517,6.095461748,5.323532572,9.741545592,5.421273568,11.81112176,2.622951691,29.39324693,9.453305872,0.058579889,5.933527435,4.603446579,24.27090303,0.662400436,0.895153868,22.46052337,2.382238416,25.88742842,1.347228455,0.451150111,8.109038714,2.045213202,20.84902787,2.147176096,1.070867898,3.507308429,2.226323253,12.8018046,2.902578317,1.523049329,0.89075874,1.80737692,4.164272943,3.609963528,27.63193188,0.800898588,0.526476825,0.954164117,0.027655999,0.557127804,0.659984074,0.636351505,28.95930729,37.09960153,77.71003851,0.931246176,1.853463383,25.68988127,0.326902629,0.117696604,0.982988021,0.01250848,0.481630745,0.109950628,0.031802878,26.1344805,11.46017684,38.58308399,0.974482032,0.623384251,26.47806526,0.519372222,0.283617161,0.970566043,0.019037835,0.511606192,0.277638061,0.18467307,27.28105465,21.40890816,52.59025795,0.955849065,0.973917322,27.58551815,0.789579549,0.516708796,0.954786893,0.02732884,0.555259121,0.641480842,0.612957364,28.8918065,36.44262354,76.58884416,0.932180339,1.809697328,26.82212203,0.603345916,0.356037283,0.965466839,0.021717539,0.524975912,0.37467574,0.291024475,27.78150523,25.94750687,59.49076978,0.948200258,1.190676127,27.77671466,0.836204442,0.556946715,0.952240056,0.028666722,0.562977214,0.719378315,0.712140773,29.16986582,39.1628835,81.26895746,0.928360084,1.994496303,27.66977569,0.791620336,0.518618962,0.954788177,0.027316078,0.558652836,0.64474903,0.617497695,28.98001498,36.66457678,77.00439927,0.932182266,1.820899561 +UMLKV0013,L,N-PENTADECANE,CCCCCCCCCCCCCCC,C15H32,Normal paraffin,Alkanes,629-62-9,3.395462571,PubChem,,2.4916,0,-3.6414,13.25979396,49.6482,47.737376,0,0,47,15,32,0,15,0,0,0,0,0,0,0,0,0,2196.475863,2407.12451,2596.949893,2445.916044,2249.159315,2052.402586,1855.645857,1658.889128,1462.132399,7347.433348,9600.808348,12751.03462,13143.00477,12136.20643,11129.40808,10122.60974,9115.811391,8109.013046,328.098588,333.331448,638.50018,877.94616,815.06126,752.17636,689.29146,626.40656,563.52166,56.06111296,74.67801792,109.2889152,120.274967,111.2534382,102.2319093,93.21038045,84.18885159,75.16732273,7819.280206,6675.042512,14042.86978,20885.20897,19406.25382,17927.29866,16448.34351,14969.38835,13490.4332,69.25,84,138.75,171.5,159.25,147,134.75,122.5,110.25,46.733529,52.3287937,28.85499881,19.4120321,19.22358389,19.00372765,18.74389755,18.43210142,18.05101727,156.3283691,208.713225,141.6781624,104.3095617,103.7282601,103.0500748,102.2485832,101.2867932,100.1112722,6.980821021,7.246335826,7.094446444,6.967826667,6.966335556,6.964595926,6.96254,6.960072889,6.957057531,1.192789637,1.623435172,1.21432128,0.95456323,0.950884087,0.946591753,0.941518994,0.935431684,0.927991639,166.367664,145.1096198,156.0318865,165.7556268,165.8654172,165.9935061,166.1448839,166.3265372,166.548558,1.473404255,1.826086957,1.541666667,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,0.066616275,-0.004413885,-0.031579836,-9.91E-05,-2.82E-06,-2.45E-08,3.74E-15,8.52E-13,7.70E-11,1236.418815,-56.12113772,-561.9238525,-7.234365409,-7.453588603,-7.672811797,-7.892034991,-8.111258186,-8.33048138,2299.173584,-104.359652,-1044.921399,-13.4526114,-13.86026629,-14.26792118,-14.67557607,-15.08323096,-15.49088585,0.242205957,-0.010993746,-0.110077025,-0.001417163,-0.001460107,-0.001503051,-0.001545995,-0.00158894,-0.001631884,10.27837568,-0.466536201,-4.671284831,-0.060139432,-0.061961839,-0.063784246,-0.065606653,-0.06742906,-0.069251467,55.8322998,-2.534232048,-25.37449334,-0.32667835,-0.336577694,-0.346477038,-0.356376382,-0.366275726,-0.37617507,3.712765957,-0.644409235,-1.444658216,0.025350837,0.023540063,0.021729289,0.019918515,0.018107741,0.016296967,0.001417368,-9.60E-05,-3.51E-04,-7.87E-07,-2.41E-08,-2.27E-10,3.77E-17,9.46E-15,9.51E-13,26.3067833,-1.220024733,-6.243598362,-0.057415598,-0.063705885,-0.071044554,-0.079717525,-0.090125091,-0.102845449,48.91858689,-2.268688088,-11.61023776,-0.106766757,-0.118463814,-0.132110381,-0.148238142,-0.167591455,-0.191245504,0.005153318,-2.39E-04,-0.001223078,-1.12E-05,-1.25E-05,-1.39E-05,-1.56E-05,-1.77E-05,-2.01E-05,0.218688844,-0.010142091,-0.051903165,-4.77E-04,-5.30E-04,-5.91E-04,-6.63E-04,-7.49E-04,-8.55E-04,1.187921272,-0.055092001,-0.281938815,-0.002592685,-0.002876732,-0.003208121,-0.003599761,-0.00406973,-0.004644137,0.07899502,-0.014008896,-0.016051758,2.01E-04,2.01E-04,2.01E-04,2.01E-04,2.01E-04,2.01E-04,-0.067698751,-0.247562505,-5.55E-04,-1.70E-05,-1.60E-07,2.66E-14,6.68E-12,6.71E-10,-0.046376812,-0.237337963,-0.00218254,-0.002421652,-0.002700617,-0.003030303,-0.003425926,-0.003909465,-0.046376812,-0.237337963,-0.00218254,-0.002421652,-0.002700617,-0.003030303,-0.003425926,-0.003909465,-0.046376812,-0.237337963,-0.00218254,-0.002421652,-0.002700617,-0.003030303,-0.003425926,-0.003909465,-0.046376812,-0.237337963,-0.00218254,-0.002421652,-0.002700617,-0.003030303,-0.003425926,-0.003909465,-0.046376812,-0.237337963,-0.00218254,-0.002421652,-0.002700617,-0.003030303,-0.003425926,-0.003909465,-0.177338981,-0.203199618,0.00254696,0.00254696,0.00254696,0.00254696,0.00254696,0.00254696,1.588504095,1.433697564,0.949163748,0.947590428,0.946334872,0.944870675,0.943113833,0.940966582,1.566666667,1.451342593,0.965178571,0.962428775,0.959220679,0.955429293,0.95087963,0.94531893,1.566666667,1.451342593,0.965178571,0.962428775,0.959220679,0.955429293,0.95087963,0.94531893,1.566666667,1.451342593,0.965178571,0.962428775,0.959220679,0.955429293,0.95087963,0.94531893,1.566666667,1.451342593,0.965178571,0.962428775,0.959220679,0.955429293,0.95087963,0.94531893,1.566666667,1.451342593,0.965178571,0.962428775,0.959220679,0.955429293,0.95087963,0.94531893,1.750716332,1.238968481,0.835812071,0.847157936,0.860394779,0.87603832,0.89481057,0.917754431,155.537458,77.76872899,123.5302945,155.537458,10.36916387,77.76872899,0,1.11E-16,7.40E-18,-55.10520085,2000056.819,133337.1213,21.76302922,155.537458,77.76872899,123.5302945,155.537458,10.36916387,77.76872899,0,1.11E-16,7.40E-18,-55.10520085,2000056.819,133337.1213,21.76302922,155.537458,77.76872899,123.5302945,155.537458,10.36916387,77.76872899,0,1.11E-16,7.40E-18,-55.10520085,2000056.819,133337.1213,21.76302922,155.537458,77.76872899,123.5302945,155.537458,10.36916387,77.76872899,0,1.11E-16,7.40E-18,-55.10520085,2000056.819,133337.1213,21.76302922,155.537458,77.76872899,123.5302945,155.537458,10.36916387,77.76872899,0,1.11E-16,7.40E-18,-55.10520085,2000056.819,133337.1213,21.76302922,155.537458,77.76872899,123.5302945,155.537458,10.36916387,77.76872899,0,1.11E-16,7.40E-18,-55.10520085,2000056.819,133337.1213,21.76302922,167.2754005,83.56547803,133.3195154,167.1502153,11.14334769,83.56547803,-0.144444444,8.33E-16,5.55E-17,-52.08284632,2000056.594,133337.1062,21.76302905,0,11.89,12.11026459,-0.170505199,0.049983919,5.117206022,7.603041153,14,46,46,46,14,0,0,0,0,0,34.982624,3.543280387,3.45495211,3.312351137,3.12230933,2.894198881,2.639680239,2.37224581,2.106397726,1.951695678,1.890166479,1.79114363,1.660331153,1.506143047,1.339362119,1.171955174,1.015086987,3.571345348,3.484832064,3.345275171,3.159541723,2.937061545,2.689569156,2.430612561,2.174645595,1.892817402,1.827525759,1.722619601,1.584194131,1.4209886,1.244060496,1.065738945,0.89777218,3.693745931,3.615317956,3.489203178,3.322257729,3.123943615,2.906031923,2.681922349,2.465340742,1.717994424,1.641182565,1.517724839,1.354435976,1.160737151,0.948352461,0.730587716,0.520952958,3.591965268,3.506797941,3.369493293,3.186936822,2.968590195,2.72622752,2.47341569,2.224541138,1.855189985,1.787454899,1.67867778,1.535168451,1.365857911,1.181976385,0.996085074,0.820316335,3.752799064,3.678305289,3.55863777,3.400526631,3.213307863,3.008612137,2.799584207,2.599401652,1.66288255,1.582400117,1.452891718,1.281246007,1.076954059,0.851822387,0.619343453,0.393491515,3.605793613,3.540319366,3.425950072,3.26294594,3.058186651,2.824068648,2.57655922,2.332859267,1.818943057,1.736521212,1.606913054,1.440898078,1.251676137,1.052923527,0.85691422,0.67350404,0,0,0,0,0,2,13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.19238816,7.414213562,4.889087297,3.207106781,2.090990258,1.353553391,0.868718434,0.551776695,0.74615921,0.529586683,0.376083638,0.267258898,0.190090023,0.135355339,0.09652427,0.068972087,11.19238816,7.414213562,4.889087297,3.207106781,2.090990258,1.353553391,0.868718434,0.551776695,0.74615921,0.529586683,0.376083638,0.267258898,0.190090023,0.135355339,0.09652427,0.068972087,23.66924486,45.20538966,42.60784314,43.16,27.77687186,361.7093868,0.503600954,0.961816801,0.906549854,0.918297872,0.590997274,7.695944401,6.0975,71.369,77.76872899,123.5302945,155.537458,10.36916387,77.76872899,1.11E-16,7.40E-18,-55.10520085,2000056.819,133337.1213,21.76302922,294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15,0,0,0,0,0,0,0,0,0,0,0,2,0,13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,4.575995839,0,18.92400416,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.28799792,0,1.37244898,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.28799792,0,1.484375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.5,1.566666667,0.2,2.28799792,0.2,1.37244898,11.09820021,0.12755102,0.28799792,1.151991678,0.12755102,0.28799792,1.151991678,7.5,0.5,0,0,0.42766,0.7,0.42766,0.42766,0.7,0,0,0,0,0.71429,0,0,0.13333,0,0,7,0.46667,7,0.46667,0,0,-7,-0.46667,0,0,18.73969,1.24931,18.73969,0,0,7.41421,0.49428,7.41421,0,0,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,14,0,0,0,0,0,0,1,0.903453555,1.084254462,1.729589799,2.147214477,2.289925225,2.315959526,42.46231709,50.95995969,81.29072055,100.9190804,107.6264856,108.8500977,0.162649942,0.195199769,0.311380346,0.386565871,0.412258276,0.416945266,4.651135296,4.47033439,3.824999053,3.407374375,3.264663626,3.238629325,0.163563578,0.196296243,0.313129429,0.388737285,0.414574009,0.419287327,6.690880829,8.860491705,11.39403951,12.63921024,13.1029955,13.02436793,59.41046021,54.41098591,51.57480381,49.00709286,48.66397413,49.29703164,15,14,14,15,0,15,3.11,2.2221,0.071428571,4.58740591,0,0,21.21521679,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,7.259,13,12,11,10,9,8,7,6,5,110,2.708050201,2.63905733,2.564949357,2.48490665,2.397895273,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,4.709530201,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,0.857142857,14,1,2,7,14,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.035714286,0.017094017,0.010416667,0.007272727,0.005555556,0.004535147,0.00390625,0.003527337,0.003333333,0.003305785,0.107180141,77.76872899,123.5302945,155.537458,10.36916387,77.76872899,1.11E-16,7.40E-18,-55.10520085,2000056.819,133337.1213,21.76302922,0,267.9962281,4.906890596,4.007333185,4.65396035,5.313205979,5.973809612,6.639875834,7.305860033,7.974876901,8.643473357,9.314069558,88.82646481,3.36729583,0,4.394449155,0,5.549076085,0,6.762729507,0,8.009363077,8.355144739,212.250401,4.515965979,28.82844807,1.921896538,0,0,0,560,12,8.875,54,1.237782609,2.138190028,2.862152226,3.604397957,4.941514032,5.95995461,7.280829223,8.388243886,9.692094573,10.83786344,76.24360074,69.09904866,68.26833945,90.31644052,112.546472,133.7770919,154.3229868,173.2185523,190.3697658,204.5058257,285.1453632,324.093518,330.8007961,443.8769127,564.5770273,681.9254736,799.4389203,911.4534684,1019.203189,1117.28957,9.006097032,15.21730392,19.99976193,25.30818284,34.54963834,41.69914596,50.83379759,58.5579915,67.55899961,75.50089966,2.154889564,2.725646879,2.916620445,3.884892311,5.021893354,6.083057377,7.202810121,8.250527053,9.307602922,10.27577478,177.3287374,330.1707791,470.5749962,582.9621104,810.4977647,975.0721816,1199.314393,1382.071326,1604.52672,1797.334888,2.326565217,3.374053863,3.996569289,5.209841705,6.942539428,8.429109574,10.16785605,11.73928005,13.47024851,15.07694962,0.446553587,0.57611889,0.623196344,0.828222887,1.074219691,1.301504191,1.544093485,1.769913304,1.99994577,2.210500324,673.7712241,554.4215543,17.0069964,188.5032168,-155.1123627,-11.11378797,485.2680073,709.5339169,28.12078437,0.781388375,0.642975749,0.019723415,0.218611625,-0.179887464,-0.012888922,580.9757056,478.0635358,14.66469832,162.5415059,-133.7494258,-9.583135308,0.032081542,0.079194054,0.487570378,5.260033578,862.274441,0,1,0,869.141968,29.48121382,9.543263317,1179.127123,34.3384205,10.56461179,1456.573953,38.16508814,11.33559131,4.165396284,4.165396284,6322.990582,6277.999687,95.01262208,1.007166438,66.54895364,66.07542819,6.788645961,9.364340827,18.68330497,0.995154311,8.92481771,13.27932244,4.780742074,60.71043901,25.29077049,0.143639579,9.921750952,9.72151048,43.40797236,1.425444387,2.192365033,43.95479339,5.223610416,46.78198693,2.706956999,0.762944919,19.47145193,4.69984166,39.54324123,4.287086719,1.765190072,10.69422826,5.278308572,26.67690256,5.795343464,2.702608366,4.175707402,4.252101057,11.53746772,7.251381241,0.748998106,13.27865349,0.340064856,13.21617974,0.182423621,0.001318882,1.503442001,0.342809731,11.71705748,0.047109651,0.021525181,2.840172978,0.155123774,10.04398126,0.114387377,0.072657982,0.702511538,0.087008669,7.415065663,0.186279785,0.177229028,0.167435767,0.070902346,4.650354121,0.251813885,0.227792723,0.042891351,0.062393359,2.245786303,0.306767671,2.417857189,13.27869945,1.138064085,16.54605386,1.867243544,0.01102925,3.221622956,1.418337249,15.79726554,0.199859886,0.169941937,9.602274256,0.687404984,15.82565065,0.443576129,0.20236598,2.857897143,0.483440045,12.5494218,0.715661702,0.494306539,1.016171447,0.474048576,8.08903186,0.967437025,0.644807806,0.339902607,0.395438743,3.748211751,1.189141805,8.424299892,13.27924944,4.470525343,55.55124854,22.53658106,0.128084843,9.406326069,8.850590403,40.62287561,1.295570268,1.955213404,40.86105052,4.735622436,43.92537426,2.477484839,0.716725881,17.72960415,4.22459267,37.07272318,3.927191193,1.665478927,9.589886124,4.726100784,24.95437628,5.308830501,2.519918242,3.729335836,3.810886083,10.82918104,6.636911716,3.563476632,13.2787579,1.718062925,20.7217242,4.045324488,0.023437654,4.401152389,2.405729631,19.30742028,0.342901325,0.359327305,14.72830549,1.201944091,20.30449946,0.728940991,0.294730269,4.835068218,0.917442942,16.49671919,1.170422414,0.714066331,1.984800899,0.946703033,10.76354336,1.582187934,0.957248419,0.706083808,0.779105045,4.896627292,1.953766903,10.7780099,13.2796291,5.972891773,82.36915128,36.87019087,0.209000302,11.83020774,13.28308732,54.67936793,1.957964192,3.188803777,56.0643703,7.232173967,58.04855196,3.636928272,0.938569684,26.59384047,6.678446741,49.26231906,5.743205529,2.13721107,15.30529141,7.587909648,33.47937813,7.763750736,3.414434396,6.04797016,6.095461822,14.31827702,9.74144993,5.795172206,12.7525195,2.812727835,32.10429072,10.31587845,0.058950811,6.473711436,4.687710257,26.99060555,0.678986831,0.900976055,25.17714406,2.441778209,29.5865644,1.355458519,0.455766875,9.609847117,2.057669482,24.94656877,2.160248926,1.082945375,4.641540735,2.239877712,16.92420664,2.920249991,1.545463168,1.746785663,1.818380744,8.009621221,3.631915222,31.53372377,0.807766977,0.528014304,0.959361077,0.024574966,0.557199305,0.664257428,0.638286386,32.86950505,42.54867046,88.86770345,0.939041616,1.859743119,29.46005847,0.329876623,0.117762395,0.985032649,0.011029823,0.486325741,0.110781518,0.031749542,29.90769748,13.2263187,44.27845288,0.977548973,0.628856801,30.30056382,0.523576831,0.284047149,0.974038218,0.016830837,0.514471673,0.279077659,0.184716238,31.1081878,24.62018245,60.23468544,0.961057327,0.97826557,31.48405825,0.796321219,0.518188527,0.959921734,0.024279146,0.555445513,0.645566234,0.614751776,32.798568,41.79874592,87.589038,0.9398826,1.815763522,30.66792743,0.608238288,0.356726006,0.969494907,0.019228033,0.527022191,0.376627252,0.291335729,31.63289173,29.81042938,68.09747673,0.954242361,1.194985171,31.68868384,0.843478586,0.558671453,0.957627238,0.025489795,0.562689034,0.724289773,0.714557475,33.09083388,44.90351671,92.92692692,0.936440857,2.001536282,31.57614483,0.798544683,0.520153279,0.959911711,0.02427568,0.55869947,0.649176328,0.619422371,32.8948428,42.05476346,88.06525171,0.939867567,1.827298169 +UMLKV0014,L,N-HEXADECANE,CCCCCCCCCCCCCCCC,C16H34,Normal paraffin,Alkanes,544-76-3,3.460360154,PubChem,,2.9193,0,-3.9294,15.44018436,52.5598,50.830962,0,0,50,16,34,0,16,0,0,0,0,0,0,0,0,0,2342.772112,2575.602807,2790.65843,2642.672773,2445.916044,2249.159315,2052.402586,1855.645857,1658.889128,7833.117739,10253.79848,13664.58173,14149.80312,13143.00477,12136.20643,11129.40808,10122.60974,9115.811391,349.076032,355.107228,681.229688,940.83106,877.94616,815.06126,752.17636,689.29146,626.40656,59.73923876,79.69400654,116.9766053,129.2964959,120.274967,111.2534382,102.2319093,93.21038045,84.18885159,8315.909866,7108.081964,14967.07198,22364.16413,20885.20897,19406.25382,17927.29866,16448.34351,14969.38835,73.5,89.25,148,183.75,171.5,159.25,147,134.75,122.5,46.85544224,52.56332259,29.06935865,19.57535387,19.4120321,19.22358389,19.00372765,18.74389755,18.43210142,156.6623548,209.2611935,142.339393,104.8133564,104.3095617,103.7282601,103.0500748,102.2485832,101.2867932,6.98152064,7.247086286,7.096142583,6.969118963,6.967826667,6.966335556,6.964595926,6.96254,6.960072889,1.194784775,1.626408297,1.218506305,0.957751821,0.95456323,0.950884087,0.946591753,0.941518994,0.935431684,166.3181973,145.0628972,155.9069998,165.660475,165.7556268,165.8654172,165.9935061,166.1448839,166.3265372,1.47,1.821428571,1.541666667,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,0.07079763,-0.004413885,-0.033670513,-9.91E-05,-2.82E-06,-2.45E-08,-6.72E-18,3.74E-15,8.52E-13,1317.198178,-55.98092256,-601.6496383,-6.779696504,-6.973402118,-7.167107733,-7.360813347,-7.554518962,-7.748224576,2449.386258,-104.098916,-1118.793194,-12.60713515,-12.96733901,-13.32754288,-13.68774674,-14.0479506,-14.40815446,0.25803008,-0.010966278,-0.117859034,-0.001328096,-0.001366042,-0.001403987,-0.001441933,-0.001479878,-0.001517824,10.94989622,-0.465370589,-5.001526126,-0.05635976,-0.057970039,-0.059580318,-0.061190597,-0.062800875,-0.064411154,59.48001005,-2.527900427,-27.1683693,-0.306147111,-0.314894171,-0.323641231,-0.332388291,-0.341135352,-0.349882412,3.88,-0.6424,-1.5296,0.024,0.0224,0.0208,0.0192,0.0176,0.016,0.001415953,-9.01E-05,-3.51E-04,-7.34E-07,-2.24E-08,-2.09E-10,-6.22E-20,3.77E-17,9.46E-15,26.34396356,-1.142467807,-6.267183733,-0.050219974,-0.055344461,-0.061257331,-0.068155679,-0.076308272,-0.086091384,48.98772516,-2.124467673,-11.65409577,-0.093386186,-0.102915389,-0.113910623,-0.126738396,-0.141898491,-0.160090605,0.005160602,-2.24E-04,-0.001227698,-9.84E-06,-1.08E-05,-1.20E-05,-1.34E-05,-1.49E-05,-1.69E-05,0.218997924,-0.009497359,-0.05209923,-4.17E-04,-4.60E-04,-5.09E-04,-5.67E-04,-6.34E-04,-7.16E-04,1.189600201,-0.051589805,-0.283003847,-0.002267756,-0.00249916,-0.002766164,-0.003077669,-0.003445812,-0.003887582,0.0776,-0.013110204,-0.015933333,1.78E-04,1.78E-04,1.78E-04,1.78E-04,1.78E-04,1.78E-04,-0.063617439,-0.247702156,-5.19E-04,-1.58E-05,-1.48E-07,-4.40E-17,2.67E-14,6.68E-12,-0.043367347,-0.237898284,-0.001906318,-0.00210084,-0.002325289,-0.002587146,-0.002896613,-0.003267974,-0.043367347,-0.237898284,-0.001906318,-0.00210084,-0.002325289,-0.002587146,-0.002896613,-0.003267974,-0.043367347,-0.237898284,-0.001906318,-0.00210084,-0.002325289,-0.002587146,-0.002896613,-0.003267974,-0.043367347,-0.237898284,-0.001906318,-0.00210084,-0.002325289,-0.002587146,-0.002896613,-0.003267974,-0.043367347,-0.237898284,-0.001906318,-0.00210084,-0.002325289,-0.002587146,-0.002896613,-0.003267974,-0.168945929,-0.20532646,0.002290951,0.002290951,0.002290951,0.002290951,0.002290951,0.002290951,1.583276985,1.437626164,0.952238584,0.950837638,0.949757767,0.948515962,0.947048553,0.945287662,1.5625,1.454312194,0.967456427,0.965073529,0.962324032,0.959116285,0.955325312,0.950776144,1.5625,1.454312194,0.967456427,0.965073529,0.962324032,0.959116285,0.955325312,0.950776144,1.5625,1.454312194,0.967456427,0.965073529,0.962324032,0.959116285,0.955325312,0.950776144,1.5625,1.454312194,0.967456427,0.965073529,0.962324032,0.959116285,0.955325312,0.950776144,1.5625,1.454312194,0.967456427,0.965073529,0.962324032,0.959116285,0.955325312,0.950776144,1.739690722,1.249731529,0.841924399,0.851947308,0.863512204,0.877004582,0.89295012,0.912084765,177.0767366,88.53836828,140.5818027,177.0767366,11.06729603,88.53836828,-7.11E-14,7.22E-16,4.51E-17,-55.78399743,114.9126073,7.182037958,7.590675045,177.0767366,88.53836828,140.5818027,177.0767366,11.06729603,88.53836828,-7.11E-14,7.22E-16,4.51E-17,-55.78399743,114.9126073,7.182037958,7.590675045,177.0767366,88.53836828,140.5818027,177.0767366,11.06729603,88.53836828,-7.11E-14,7.22E-16,4.51E-17,-55.78399743,114.9126073,7.182037958,7.590675045,177.0767366,88.53836828,140.5818027,177.0767366,11.06729603,88.53836828,-7.11E-14,7.22E-16,4.51E-17,-55.78399743,114.9126073,7.182037958,7.590675045,177.0767366,88.53836828,140.5818027,177.0767366,11.06729603,88.53836828,-7.11E-14,7.22E-16,4.51E-17,-55.78399743,114.9126073,7.182037958,7.590675045,177.0767366,88.53836828,140.5818027,177.0767366,11.06729603,88.53836828,-7.11E-14,7.22E-16,4.51E-17,-55.78399743,114.9126073,7.182037958,7.590675045,189.7346353,94.79440098,151.1102345,189.6070311,11.85043944,94.79440098,-0.145833333,1.11E-16,6.94E-18,-58.77888091,114.481458,7.155091127,7.584660594,0,11.89,12.11028781,-0.170505205,0.05000921,5.117283083,7.613970644,15,49,49,49,15,0,0,0,0,0,37.169038,3.546534702,3.467686584,3.339949994,3.168777862,2.961668449,2.727993808,2.478701581,2.225792389,1.953838139,1.898555678,1.809293857,1.69065868,1.549421296,1.394332638,1.235370584,1.082376542,3.574524235,3.497264849,3.372194643,3.204798896,3.00262738,2.77512022,2.533289589,2.289144385,1.895116781,1.836510289,1.742008916,1.616532615,1.467123752,1.302758309,1.133684348,0.970174109,3.696589878,3.626419702,3.513156253,3.362298783,3.181450849,2.980126546,2.769317765,2.560659054,1.720771505,1.652020763,1.541098163,1.393474711,1.216726563,1.020338282,0.815244959,0.612944786,3.595088299,3.519007694,3.395911903,3.231304332,3.032764592,2.809771602,2.573368555,2.335546219,1.857590963,1.796828811,1.698888918,1.56886044,1.413941855,1.243247534,1.067196251,0.896338774,3.755480217,3.688766938,3.581187968,3.438153422,3.267177866,3.077681101,2.880493583,2.686894952,1.66581151,1.593838099,1.477588467,1.322581698,1.136437435,0.928686955,0.710371775,0.493275577,3.61021297,3.551377708,3.449013557,3.302933866,3.118144637,2.904177156,2.673719992,2.441013841,1.819769702,1.74633892,1.630046847,1.479464549,1.305335432,1.119214251,0.931985825,0.752822517,0,0,0,0,0,2,14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.89949494,7.914213562,5.242640687,3.457106781,2.267766953,1.478553391,0.957106781,0.614276695,0.743718434,0.527614237,0.374474335,0.265931291,0.188980579,0.134413945,0.095710678,0.068252966,11.89949494,7.914213562,5.242640687,3.457106781,2.267766953,1.478553391,0.957106781,0.614276695,0.743718434,0.527614237,0.374474335,0.265931291,0.188980579,0.134413945,0.095710678,0.068252966,25.21107266,48.09322651,45.33333333,45.92,29.57542635,384.7376419,0.504221453,0.96186453,0.906666667,0.9184,0.591508527,7.694752838,6.4876,75.986,88.53836828,140.5818027,177.0767366,11.06729603,88.53836828,7.22E-16,4.51E-17,-55.78399743,114.9126073,7.182037958,7.590675045,338,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,0,0,0,0,0,0,0,0,0,0,0,2,0,14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.2,0,0,0,0,0,0,0,0,0,0,0,4.580440283,0,20.41955972,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.290220142,0,1.372777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.290220142,0,1.48601466,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,25,1.5625,0.2,2.290220142,0.2,1.372777778,11.82097799,0.127222222,0.290220142,1.160880567,0.127222222,0.290220142,1.160880567,8,0.5,0,0,0.428,0.7,0.428,0.428,0.7,0,0,0,0,0.71429,0,0,0.125,0,0,7.5,0.46875,7.5,0.46875,0,0,-7.5,-0.46875,0,0,20.42601,1.27663,20.42601,0,0,7.91421,0.49464,7.91421,0,0,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,15,0,0,0,0,0,0,1,0.904381458,1.07832208,1.701150933,2.10849307,2.260503833,2.307601312,45.21907289,53.91610398,85.05754666,105.4246535,113.0251916,115.3800656,0.160241762,0.191061225,0.301416421,0.373590857,0.400524705,0.408869616,4.739474732,4.56553411,3.942705257,3.535363119,3.383352357,3.336254878,0.161073588,0.192053037,0.302981094,0.375530193,0.402603856,0.410992086,6.693715827,8.781003289,11.2297616,12.47575565,13.00477967,13.05224569,63.36307637,58.28737501,55.35452822,52.65528473,52.13360217,52.52994989,16,15,15.07692308,16,0,16,3.22,2.363,0.066666667,4.631272038,0,0,23.26713828,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,7.758,14,13,12,11,10,9,8,7,6,121,2.772588722,2.708050201,2.63905733,2.564949357,2.48490665,2.397895273,2.302585093,2.197224577,2.079441542,1.945910149,4.804021045,1,0.466666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13,0.866666667,15,1,2,8,15,0.875,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.033333333,0.015873016,0.009615385,0.006666667,0.005050505,0.004081633,0.003472222,0.00308642,0.002857143,0.002754821,0.100373307,88.53836828,140.5818027,177.0767366,11.06729603,88.53836828,7.22E-16,4.51E-17,-55.78399743,114.9126073,7.182037958,7.590675045,0,285.2922127,5,4.077537444,4.727387819,5.38907173,6.052089169,6.720220155,7.38832786,8.059276223,8.729882285,9.402364704,91.54615739,3.433987204,0,4.465908119,0,5.624017506,0,6.840546529,0,8.089789176,8.434463544,226.2660511,4.525321022,30.8284376,1.92677735,0,0,0,680,13,9.444,58,1.238510204,2.139611683,2.86319304,3.605908351,4.943058655,5.962013077,7.283080063,8.391217931,9.695567779,10.84259609,76.60959731,69.62927691,68.87439934,91.23759577,113.8977397,135.6877189,157.0081424,176.9647546,195.6512662,212.0462175,286.0634012,325.7495082,332.6058917,446.6815484,568.65078,687.7425824,807.5840399,922.8789305,1035.281494,1140.323077,9.012418738,15.23091757,20.01095285,25.32510907,34.56982847,41.72723255,50.86888452,58.60624609,67.62214094,75.59006406,2.160227842,2.73642576,2.928039398,3.902794661,5.047671306,6.120006678,7.254353724,8.322975424,9.409349879,10.42171916,177.3689901,330.1355004,470.4628908,582.7461376,810.0675821,974.4096176,1198.270366,1380.549879,1602.25311,1794.003447,2.32219898,3.375726958,3.997837144,5.211582998,6.944376373,8.431488368,10.17051281,11.74272443,13.47433462,15.08243839,0.447599847,0.578275259,0.6254669,0.831787592,1.07934126,1.308849354,1.554329688,1.78430516,2.020146729,2.239481386,696.6896661,610.0637294,17.64813745,187.0880275,-163.8256247,-11.0183057,509.6016386,773.8893541,28.66644315,0.788308724,0.690290934,0.019968978,0.211691276,-0.185369721,-0.012467282,615.7187863,539.1607158,15.59703021,165.3442255,-144.7854328,-9.737732798,0.030147205,0.074419095,0.45817261,4.94288296,883.7776937,0,1,0,931.2235372,30.51595545,9.765278827,1260.582764,35.50468651,10.80248789,1572.058691,39.64919534,11.62758667,4.689051559,4.689051559,7653.027508,7605.430743,100.9477253,1.00625826,75.81178759,75.34028845,7.079226443,10.58234902,19.92572335,0.882920636,9.482618817,14.22783974,5.07707458,65.68331677,27.26562014,0.143655219,10.71606403,9.859537953,47.7723709,1.456256138,2.192771111,48.50401958,5.334149001,52.74702354,2.70702518,0.764985439,22.51984699,4.699852648,46.35449625,4.287087335,1.771276011,13.30950706,5.278308591,33.82828871,5.795343478,2.717197941,6.235641083,4.252101113,18.47907092,7.251381242,0.795810488,14.2271287,0.362181788,14.22957234,0.196489965,0.001334395,1.626001068,0.343782225,12.79600964,0.047326688,0.021931257,3.152536198,0.155902307,11.19361722,0.114387857,0.07469697,0.804489839,0.087008748,8.526023177,0.18627979,0.183251368,0.204168013,0.070902352,5.653325001,0.251813885,0.241688657,0.061826927,0.062393378,3.105990774,0.306767671,2.568973264,14.22717755,1.211273742,17.82725882,2.012590512,0.011044771,3.481286176,1.428468598,17.29187305,0.202121365,0.170348013,10.64382993,0.695517891,17.71289559,0.443581134,0.204405281,3.285504671,0.483440853,14.53919708,0.715661747,0.500341828,1.254268989,0.474048583,9.99455642,0.967437026,0.658843914,0.502162839,0.395438764,5.455555379,1.189141805,8.950818636,14.22776215,4.748344003,60.09055279,24.29624487,0.128100469,10.15950948,8.973570641,44.69594002,1.323023003,1.955619482,45.10291349,4.834110325,49.50883048,2.477545587,0.718766307,20.50005375,4.22460246,43.43428044,3.927191742,1.67156096,11.93234416,4.726100803,31.60466901,5.308830514,2.534464853,5.567641341,3.810886135,17.25902906,6.636911716,3.786193921,14.22723967,1.827795263,22.34723078,4.360650404,0.023453186,4.754937814,2.427735399,21.16306931,0.347813491,0.359733382,16.31070373,1.219566409,22.77092953,0.728951861,0.296769784,5.568099914,0.917444695,19.17431888,1.170422512,0.720110518,2.45762003,0.946703041,13.39329805,1.582187936,0.971381172,1.047876363,0.779105069,7.302552714,1.953766903,11.45163552,14.22816571,6.339733109,89.16442339,39.74981036,0.209016002,12.77681154,13.48438626,60.22486261,2.002900148,3.189209855,61.8061081,7.393384104,65.52494686,3.637027706,0.94061055,30.78212349,6.678462765,57.85297339,5.743206427,2.143311481,19.06123564,7.587909674,42.62766589,7.763750758,3.429183615,9.038265804,6.095461895,23.31302147,9.741449931,6.168834001,13.69475556,3.002484175,34.82135428,11.18028731,0.059279983,7.015034939,4.769281712,29.72041745,0.695233489,0.906161908,27.90525393,2.500094995,33.30500955,1.362725197,0.460080902,11.12035772,2.068662853,29.07160581,2.171785868,1.094316215,5.785150773,2.251839666,21.08064989,2.93584543,1.566927917,2.611260623,1.828091738,11.89279171,3.651311264,35.70487776,0.806878596,0.529367286,0.963925342,0.021783319,0.556869865,0.672016064,0.639989097,37.04112364,48.137631,100.4295623,0.945888012,1.868875026,33.49448569,0.328165381,0.117820035,0.986859775,0.009668852,0.490097543,0.111166311,0.031702731,33.9404711,14.97671658,50.21223378,0.980289663,0.632966585,34.38924131,0.522026108,0.284424544,0.977086666,0.014832102,0.516611304,0.281380512,0.184753434,35.19569196,27.88170312,68.18340776,0.965629999,0.98274525,35.65182429,0.795396157,0.519490552,0.964430519,0.021516552,0.555217098,0.6530447,0.616330534,36.966711,47.29131069,98.9893836,0.946645779,1.824592333,34.78081665,0.606831154,0.357330963,0.973026642,0.016976682,0.528435121,0.380224283,0.291608163,35.74497877,33.7511854,77.03802118,0.959539963,1.200267567,35.87044421,0.842710117,0.560189725,0.962361847,0.022608922,0.562043579,0.732954032,0.71668556,37.27334406,50.79471808,105.0016935,0.94354277,2.011683171,35.75210586,0.797597123,0.521503774,0.964417104,0.021515273,0.558342661,0.656613754,0.621116816,37.07120676,47.57658482,99.51887677,0.946625656,1.836073232 +UMLKV0015,L,N-HEPTADECANE,CCCCCCCCCCCCCCCCC,C17H36,Normal paraffin,Alkanes,629-78-7,3.521301643,PubChem,,3.5813,0,-4.2174,17.78646276,55.4714,53.924548,0,0,53,17,36,0,17,0,0,0,0,0,0,0,0,0,2489.068361,2744.081104,2984.366967,2839.429502,2642.672773,2445.916044,2249.159315,2052.402586,1855.645857,8318.802129,10906.78862,14578.12884,15156.60146,14149.80312,13143.00477,12136.20643,11129.40808,10122.60974,370.053476,376.883008,723.959196,1003.71596,940.83106,877.94616,815.06126,752.17636,689.29146,63.41736457,84.70999516,124.6642955,138.3180247,129.2964959,120.274967,111.2534382,102.2319093,93.21038045,8812.539526,7541.121415,15891.27418,23843.11928,22364.16413,20885.20897,19406.25382,17927.29866,16448.34351,77.75,94.5,157.25,196,183.75,171.5,159.25,147,134.75,46.96355398,52.77079046,29.25849968,19.71826043,19.57535387,19.4120321,19.22358389,19.00372765,18.74389755,156.9585307,209.7459349,142.9228318,105.2541768,104.8133564,104.3095617,103.7282601,103.0500748,102.2485832,6.982141057,7.247750154,7.097639176,6.970249722,6.969118963,6.967826667,6.966335556,6.964595926,6.96254,1.196554049,1.629038368,1.222198975,0.960541839,0.957751821,0.95456323,0.950884087,0.946591753,0.941518994,166.2743307,145.0215657,155.7968057,165.5772172,165.660475,165.7556268,165.8654172,165.9935061,166.1448839,1.466981132,1.817307692,1.541666667,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,0.074978985,-0.004413885,-0.035761191,-9.91E-05,-2.82E-06,-2.45E-08,7.16E-18,-6.72E-18,3.74E-15,1397.969764,-55.85672754,-641.4472809,-6.378700367,-6.551097675,-6.723494982,-6.895892289,-7.068289596,-7.240686904,2599.584472,-103.86797,-1192.79861,-11.86146571,-12.18204587,-12.50262602,-12.82320618,-13.14378633,-13.46436649,0.273852679,-0.010941949,-0.125655119,-0.001249544,-0.001283315,-0.001317087,-0.001350858,-0.001384629,-0.001418401,11.62135212,-0.464338153,-5.332364767,-0.053026271,-0.054459413,-0.055892556,-0.057325698,-0.05875884,-0.060191983,63.12736916,-2.522292219,-28.96549005,-0.288039544,-0.295824396,-0.303609249,-0.311394101,-0.319178954,-0.326963806,4.047169811,-0.640619438,-1.614364543,0.022783909,0.021359915,0.01993592,0.018511926,0.017087932,0.015663937,0.001414698,-8.49E-05,-3.51E-04,-6.89E-07,-2.09E-08,-1.94E-10,6.12E-20,-6.22E-20,3.77E-17,26.37678801,-1.074167837,-6.288698832,-0.04429653,-0.048526649,-0.053361071,-0.05893925,-0.065447126,-0.073138252,49.04876363,-1.997460962,-11.69410402,-0.08237129,-0.090237377,-0.099227191,-0.109600053,-0.121701725,-0.136003702,0.005167032,-2.10E-04,-0.001231913,-8.68E-06,-9.51E-06,-1.05E-05,-1.15E-05,-1.28E-05,-1.43E-05,0.219270795,-0.00892958,-0.052278086,-3.68E-04,-4.03E-04,-4.44E-04,-4.90E-04,-5.44E-04,-6.08E-04,1.191082437,-0.04850562,-0.283975393,-0.002000275,-0.002191292,-0.002409597,-0.002661488,-0.002955361,-0.003302665,0.076361695,-0.012319605,-0.015827103,1.58E-04,1.58E-04,1.58E-04,1.58E-04,1.58E-04,1.58E-04,-0.060000372,-0.247826709,-4.87E-04,-1.48E-05,-1.37E-07,4.32E-17,-4.40E-17,2.67E-14,-0.040723982,-0.238417916,-0.001679375,-0.001839748,-0.002023031,-0.002234512,-0.002481239,-0.002772826,-0.040723982,-0.238417916,-0.001679375,-0.001839748,-0.002023031,-0.002234512,-0.002481239,-0.002772826,-0.040723982,-0.238417916,-0.001679375,-0.001839748,-0.002023031,-0.002234512,-0.002481239,-0.002772826,-0.040723982,-0.238417916,-0.001679375,-0.001839748,-0.002023031,-0.002234512,-0.002481239,-0.002772826,-0.040723982,-0.238417916,-0.001679375,-0.001839748,-0.002023031,-0.002234512,-0.002481239,-0.002772826,-0.161332257,-0.207264957,0.002072002,0.002072002,0.002072002,0.002072002,0.002072002,0.002072002,1.578632875,1.441115177,0.954961925,0.953703554,0.952764711,0.951698121,0.950453931,0.948983523,1.558823529,1.456939639,0.969453522,0.967368676,0.964985994,0.962236747,0.959029291,0.955238661,1.558823529,1.456939639,0.969453522,0.967368676,0.964985994,0.962236747,0.959029291,0.955238661,1.558823529,1.456939639,0.969453522,0.967368676,0.964985994,0.962236747,0.959029291,0.955238661,1.558823529,1.456939639,0.969453522,0.967368676,0.964985994,0.962236747,0.959029291,0.955238661,1.558823529,1.456939639,0.969453522,0.967368676,0.964985994,0.962236747,0.959029291,0.955238661,1.72960373,1.259655377,0.847643098,0.856565657,0.866762867,0.878528879,0.892255892,0.908478727,200.0056541,100.002827,158.7334228,200.0056541,11.76503847,100.002827,-7.11E-14,8.33E-16,4.90E-17,-59.02722583,2000072.888,117651.3464,24.66478011,200.0056541,100.002827,158.7334228,200.0056541,11.76503847,100.002827,-7.11E-14,8.33E-16,4.90E-17,-59.02722583,2000072.888,117651.3464,24.66478011,200.0056541,100.002827,158.7334228,200.0056541,11.76503847,100.002827,-7.11E-14,8.33E-16,4.90E-17,-59.02722583,2000072.888,117651.3464,24.66478011,200.0056541,100.002827,158.7334228,200.0056541,11.76503847,100.002827,-7.11E-14,8.33E-16,4.90E-17,-59.02722583,2000072.888,117651.3464,24.66478011,200.0056541,100.002827,158.7334228,200.0056541,11.76503847,100.002827,-7.11E-14,8.33E-16,4.90E-17,-59.02722583,2000072.888,117651.3464,24.66478011,200.0056541,100.002827,158.7334228,200.0056541,11.76503847,100.002827,-7.11E-14,8.33E-16,4.90E-17,-59.02722583,2000072.888,117651.3464,24.66478011,213.5840407,106.7184909,170.0002513,213.4542829,12.55613429,106.7184909,-0.147058824,6.11E-16,3.59E-17,-59.55448921,2000072.684,117651.3344,24.66477994,0,11.89,12.11031149,-0.170505211,0.050035053,5.117321485,7.623141128,16,52,52,52,16,0,0,0,0,0,39.355452,3.549285793,3.478476485,3.363427667,3.208543892,3.019893644,2.805089377,2.573086236,2.333839636,1.955666574,1.905727303,1.82486513,1.716844043,1.587177088,1.443027943,1.292726838,1.144834607,3.577212997,3.507805212,3.395109573,3.243559886,3.059270243,2.849914133,2.624511432,2.393053209,1.897075963,1.84418116,1.758628627,1.644435852,1.507342717,1.3547006,1.1950472,1.037262841,3.699001409,3.635856439,3.533605131,3.396709507,3.231348046,3.045285145,2.847587856,2.648080269,1.723127601,1.661238427,1.561063164,1.427044702,1.265343428,1.083705579,0.891164329,0.697458367,3.59773088,3.529363442,3.418411511,3.269326042,3.088248457,2.882888491,2.662301181,2.436485454,1.859634698,1.804825526,1.71620179,1.597915327,1.455833686,1.297420992,1.131344074,0.966686468,3.757756734,3.697671252,3.600464768,3.470536172,3.314001243,3.138560963,2.953179808,2.767452805,1.668293476,1.603554055,1.498657068,1.358075921,1.187996657,0.996189703,0.791746115,0.584577178,3.614076657,3.560891362,3.468696597,3.337052085,3.169626004,2.973812684,2.759749949,2.539184244,1.820358322,1.754543048,1.649696112,1.512702817,1.352352476,1.178383663,1.000352819,0.82668262,0,0,0,0,0,2,15,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.60660172,8.414213562,5.596194078,3.707106781,2.444543648,1.603553391,1.045495129,0.676776695,0.741564807,0.525888348,0.373079605,0.264793342,0.188041819,0.133629449,0.095045012,0.06767767,12.60660172,8.414213562,5.596194078,3.707106781,2.444543648,1.603553391,1.045495129,0.676776695,0.741564807,0.525888348,0.373079605,0.264793342,0.188041819,0.133629449,0.095045012,0.06767767,26.75290047,50.98106336,48.05882353,48.68,31.37398084,407.765897,0.504771707,0.961906856,0.906770255,0.918490566,0.591961903,7.69369617,6.8777,80.603,100.002827,158.7334228,200.0056541,11.76503847,100.002827,8.33E-16,4.90E-17,-59.02722583,2000072.888,117651.3464,24.66478011,384,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17,0,0,0,0,0,0,0,0,0,0,0,2,0,15,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.4,0,0,0,0,0,0,0,0,0,0,0,4.584346533,0,21.91565347,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.292173267,0,1.373046875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.292173267,0,1.487654321,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26.5,1.558823529,0.2,2.292173267,0.2,1.373046875,12.54378267,0.126953125,0.292173267,1.168693067,0.126953125,0.292173267,1.168693067,8.5,0.5,0,0,0.4283,0.7,0.4283,0.4283,0.7,0,0,0,0,0.71429,0,0,0.11765,0,0,8,0.47059,8,0.47059,0,0,-8,-0.47059,0,0,22.1419,1.30246,22.1419,0,0,8.41421,0.49495,8.41421,0,0,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,16,0,0,0,0,0,0,1,0.905200297,1.072813681,1.674671224,2.071789219,2.230451085,2.293710957,47.97561574,56.85912511,88.75757488,109.8048286,118.2139075,121.5666807,0.158032973,0.187295492,0.292369847,0.361700068,0.389399801,0.400443926,4.822720158,4.655106773,4.05324923,3.656131235,3.497469369,3.434209498,0.15879482,0.188198408,0.293779306,0.363443755,0.391277023,0.40237439,6.6961958,8.707556411,11.07653057,12.31713239,12.89487279,13.03901895,67.31538884,62.170236,59.14866053,56.332897,55.65527092,55.85860208,17,16,16,17,0,17,3.33,2.5039,0.0625,4.670405768,0,0,25.33200909,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,8.257,15,14,13,12,11,10,9,8,7,132,2.833213344,2.772588722,2.708050201,2.63905733,2.564949357,2.48490665,2.397895273,2.302585093,2.197224577,2.079441542,4.890349128,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,0.875,16,1,2,8,16,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.03125,0.014814815,0.008928571,0.006153846,0.00462963,0.003710575,0.003125,0.002743484,0.0025,0.002361275,0.094319109,100.002827,158.7334228,200.0056541,11.76503847,100.002827,8.33E-16,4.90E-17,-59.02722583,2000072.888,117651.3464,24.66478011,0,302.5881973,5.087462841,4.143134726,4.795790546,5.459585514,6.124683391,6.794586581,7.464509835,8.13710339,8.809414944,9.483492393,94.21230132,3.496507561,0,4.532599493,0,5.693732139,0,6.91274282,0,8.164225652,8.50795061,240.2817012,4.533617003,32.82843236,1.931084257,0,0,0,816,14,10.013,62,1.239153846,2.140866085,2.864103752,3.607217359,4.944382617,5.963754857,7.284955764,8.393651242,9.698346344,10.84627704,76.93336351,70.09712537,69.40470175,92.03593033,115.055969,137.3044032,159.245772,180.0298292,199.8764665,217.9109666,286.8755117,327.2106761,334.1853503,449.1122327,572.142568,692.6647513,814.3716396,932.2270359,1048.144137,1158.238028,9.018011017,15.24292962,20.02074491,25.33977846,34.58713429,41.75099813,50.89812363,58.64572711,67.672654,75.65941415,2.164950166,2.745936537,2.938030982,3.918310032,5.069766693,6.151271471,7.297306726,8.382251365,9.490747444,10.53523147,177.4045983,330.104372,470.3647985,582.5589613,809.6988541,973.8489865,1197.400344,1379.305059,1600.434221,1791.412326,2.318336538,3.377203219,3.998946517,5.213092118,6.945950897,8.433501195,10.17272678,11.74554257,13.47760351,15.08670744,0.448525385,0.580177937,0.627453636,0.834877002,1.083731176,1.315064492,1.562859856,1.796080315,2.036307496,2.262022213,727.2623368,675.2326054,18.45247778,188.2516276,-174.783748,-11.08681044,539.0107092,850.0163534,29.53928822,0.794376017,0.737544845,0.020155321,0.205623983,-0.190913252,-0.01210993,665.8188252,618.1848795,16.89350109,172.3469939,-160.016962,-10.15012978,0.028432862,0.0701872,0.432118293,4.661802341,915.5139645,0,1,0,993.3051063,31.51674327,9.9776337,1342.038405,36.63384235,11.03032515,1687.907195,41.08414773,11.90646542,4.501396175,4.501396175,9157.572819,9106.523448,107.729564,1.005605802,85.00519709,84.53133116,7.373452128,10.58234902,21.15979154,0.99953635,10.04041992,15.17635705,5.373407087,70.65619453,29.24046979,0.14367086,11.5103771,9.997565426,52.13676944,1.48706789,2.193177188,53.05324578,5.444687586,58.71206015,2.70709336,0.767025958,25.56824204,4.699863636,53.16575127,4.287087951,1.777361949,15.92478585,5.278308611,40.97967486,5.795343493,2.731787516,8.295574765,4.252101169,25.42067412,7.251381242,0.842622869,15.1756039,0.384298721,15.24296494,0.210556309,0.001349908,1.748560135,0.34475472,13.87496179,0.047543725,0.022337333,3.464899418,0.15668084,12.34325319,0.114388338,0.076735958,0.906468141,0.087008828,9.636980692,0.186279794,0.189273707,0.24090026,0.070902358,6.656295881,0.251813885,0.255584591,0.080762502,0.062393396,3.966195245,0.306767671,2.720089338,15.17565564,1.284483399,19.10846377,2.15793748,0.011060292,3.740949397,1.438599946,18.78648056,0.204382843,0.170754089,11.68538561,0.703630798,19.60014053,0.443586139,0.206444582,3.713112199,0.483441662,16.52897236,0.715661793,0.506377116,1.492366531,0.47404859,11.90008098,0.967437027,0.672880022,0.664423071,0.395438786,7.162899007,1.189141805,9.477337379,15.17627486,5.026162662,64.62985703,26.05590867,0.128116096,10.91269289,9.096550879,48.76900442,1.350475738,1.956025559,49.34477647,4.932598214,55.09228671,2.477606335,0.720806733,23.27050335,4.22461225,49.7958377,3.927192291,1.677642993,14.2748022,4.726100821,38.25496175,5.308830527,2.549011464,7.405946846,3.810886187,23.68887708,6.636911717,4.008911211,15.17572145,1.937527601,23.97273735,4.67597632,0.023468718,5.108723239,2.449741168,23.01871834,0.352725658,0.360139458,17.89310196,1.237188727,25.23735959,0.728962732,0.2988093,6.30113161,0.917446449,21.85191856,1.17042261,0.726154705,2.93043916,0.946703049,16.02305275,1.582187939,0.985513925,1.389668919,0.779105094,9.708478136,1.953766903,12.12526114,15.17670232,6.706574445,95.95969549,42.62942985,0.209031702,13.72341533,13.6856852,65.77035729,2.047836103,3.189615932,67.54784589,7.554594242,73.00134176,3.63712714,0.942651417,34.97040651,6.678478789,66.44362772,5.743207325,2.149411892,22.81717988,7.5879097,51.77595364,7.76375078,3.443932834,12.02856145,6.095461968,32.30776593,9.741449932,6.542298066,14.63768971,3.192223855,37.54343378,12.04622624,0.059574351,7.557307908,4.848608851,32.45865443,0.711196927,0.910817305,30.64293908,2.557392228,37.03954799,1.369188786,0.464142562,12.63895492,2.078436726,33.21956052,2.182042475,1.105097988,6.936577234,2.262474088,25.26546679,2.949710094,1.587601483,3.48277723,1.836725014,15.80748792,3.668554741,40.12365305,0.812219954,0.5305671,0.967617499,0.019587405,0.556895295,0.675389174,0.64149906,41.4664401,54.30845905,113.0656733,0.951426248,1.873783529,37.78099582,0.330439754,0.11787095,0.988273114,0.008643624,0.493763994,0.111787016,0.031661316,38.22930652,16.97657407,56.67742196,0.982409672,0.637212327,38.72832761,0.525263688,0.284758439,0.979513001,0.013284917,0.518836001,0.282462984,0.184785802,39.53834973,31.52037558,76.85144783,0.969269502,0.986084787,40.06733094,0.800637007,0.52064507,0.968076193,0.019344379,0.55533295,0.656263282,0.617730311,41.38861302,53.35709395,111.4476821,0.95211429,1.829326543,39.14332365,0.610609882,0.357866561,0.975855573,0.0152227,0.530014821,0.381710796,0.291848611,40.1118001,38.12790372,86.79317993,0.963783359,1.203574227,40.29944997,0.848373547,0.56153651,0.966196795,0.020340124,0.561785924,0.736853282,0.718573817,41.70936003,57.29499252,118.2027172,0.949295192,2.017213023,40.17552625,0.802985852,0.522701616,0.968056658,0.019348491,0.558336172,0.660119517,0.622620013,41.50121372,53.67991368,112.0436797,0.952084987,1.841075702 +UMLKV0016,L,N-OCTADECANE,CCCCCCCCCCCCCCCCCC,C18H38,Normal paraffin,Alkanes,593-45-3,3.578741705,PubChem,,4.1314,0,-4.5054,20.29862916,58.383,57.018134,0,0,56,18,38,0,18,0,0,0,0,0,0,0,0,0,2635.36461,2912.559401,3178.075504,3036.186231,2839.429502,2642.672773,2445.916044,2249.159315,2052.402586,8804.48652,11559.77875,15491.67595,16163.39981,15156.60146,14149.80312,13143.00477,12136.20643,11129.40808,391.03092,398.658788,766.688704,1066.60086,1003.71596,940.83106,877.94616,815.06126,752.17636,67.09549038,89.72598378,132.3519856,147.3395536,138.3180247,129.2964959,120.274967,111.2534382,102.2319093,9309.169187,7974.160867,16815.47638,25322.07444,23843.11928,22364.16413,20885.20897,19406.25382,17927.29866,82,99.75,166.5,208.25,196,183.75,171.5,159.25,147,47.06008232,52.95562547,29.42662504,19.84435445,19.71826043,19.57535387,19.4120321,19.22358389,19.00372765,157.2229736,210.1777955,143.441444,105.643136,105.2541768,104.8133564,104.3095617,103.7282601,103.0500748,6.982695,7.2483416,7.098969481,6.971247451,6.970249722,6.969118963,6.967826667,6.966335556,6.964595926,1.198133757,1.631381523,1.225481348,0.963003618,0.960541839,0.957751821,0.95456323,0.950884087,0.946591753,166.235164,144.984743,155.6988554,165.5037545,165.5772172,165.660475,165.7556268,165.8654172,165.9935061,1.464285714,1.813636364,1.541666667,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,0.07916034,-0.004413885,-0.037851868,-9.91E-05,-2.82E-06,-2.45E-08,7.16E-18,7.16E-18,-6.72E-18,1478.734824,-55.74595567,-681.3051425,-6.022416264,-6.176837194,-6.331258124,-6.485679054,-6.640099983,-6.794520913,2749.77055,-103.661985,-1266.916005,-11.19894021,-11.48609252,-11.77324484,-12.06039715,-12.34754946,-12.63470177,0.289674,-0.01092025,-0.133463,-0.00117975,-0.00121,-0.00124025,-0.0012705,-0.00130075,-0.001331,12.29275376,-0.463417305,-5.663704011,-0.050064473,-0.051348178,-0.052631882,-0.053915587,-0.055199291,-0.056482996,66.77443355,-2.517290154,-30.76533008,-0.271951014,-0.278924117,-0.28589722,-0.292870323,-0.299843426,-0.306816528,4.214285714,-0.639030612,-1.698979592,0.021683673,0.020408163,0.019132653,0.017857143,0.016581633,0.015306122,0.001413577,-8.03E-05,-3.50E-04,-6.48E-07,-1.96E-08,-1.81E-10,5.68E-20,6.12E-20,-6.22E-20,26.405979,-1.01356283,-6.308380949,-0.039362198,-0.042894703,-0.046898208,-0.051473643,-0.056752991,-0.062912231,49.10304553,-1.884763364,-11.73070375,-0.073195688,-0.079764531,-0.087209221,-0.095717438,-0.105534611,-0.116987979,0.00517275,-1.99E-04,-0.001235769,-7.71E-06,-8.40E-06,-9.19E-06,-1.01E-05,-1.11E-05,-1.23E-05,0.21951346,-0.008425769,-0.052441704,-3.27E-04,-3.57E-04,-3.90E-04,-4.28E-04,-4.72E-04,-5.23E-04,1.192400599,-0.045768912,-0.284864167,-0.001777458,-0.001936973,-0.002117757,-0.002324368,-0.002562764,-0.002840894,0.075255102,-0.011618738,-0.015731293,1.42E-04,1.42E-04,1.42E-04,1.42E-04,1.42E-04,1.42E-04,-0.056772584,-0.247938482,-4.58E-04,-1.38E-05,-1.28E-07,4.02E-17,4.33E-17,-4.40E-17,-0.038383838,-0.238899718,-0.001490655,-0.001624431,-0.001776045,-0.001949318,-0.002149248,-0.002382499,-0.038383838,-0.238899718,-0.001490655,-0.001624431,-0.001776045,-0.001949318,-0.002149248,-0.002382499,-0.038383838,-0.238899718,-0.001490655,-0.001624431,-0.001776045,-0.001949318,-0.002149248,-0.002382499,-0.038383838,-0.238899718,-0.001490655,-0.001624431,-0.001776045,-0.001949318,-0.002149248,-0.002382499,-0.038383838,-0.238899718,-0.001490655,-0.001624431,-0.001776045,-0.001949318,-0.002149248,-0.002382499,-0.154391371,-0.209039548,0.001883239,0.001883239,0.001883239,0.001883239,0.001883239,0.001883239,1.574479382,1.444234485,0.957390897,0.956251993,0.955428093,0.954502021,0.953433627,0.952187167,1.555555556,1.459280918,0.971218897,0.969379467,0.96729478,0.964912281,0.962163243,0.958956032,1.555555556,1.459280918,0.971218897,0.969379467,0.96729478,0.964912281,0.962163243,0.958956032,1.555555556,1.459280918,0.971218897,0.969379467,0.96729478,0.964912281,0.962163243,0.958956032,1.555555556,1.459280918,0.971218897,0.969379467,0.96729478,0.964912281,0.962163243,0.958956032,1.555555556,1.459280918,0.971218897,0.969379467,0.96729478,0.964912281,0.962163243,0.958956032,1.720338983,1.268832392,0.852996566,0.860993409,0.870056497,0.880414313,0.892365638,0.906308851,224.3242092,112.1621046,177.9851524,224.3242092,12.46245607,112.1621046,-8.53E-14,1.44E-15,8.02E-17,-61.50933218,141.4961897,7.860899425,8.914091019,224.3242092,112.1621046,177.9851524,224.3242092,12.46245607,112.1621046,-8.53E-14,1.44E-15,8.02E-17,-61.50933218,141.4961897,7.860899425,8.914091019,224.3242092,112.1621046,177.9851524,224.3242092,12.46245607,112.1621046,-8.53E-14,1.44E-15,8.02E-17,-61.50933218,141.4961897,7.860899425,8.914091019,224.3242092,112.1621046,177.9851524,224.3242092,12.46245607,112.1621046,-8.53E-14,1.44E-15,8.02E-17,-61.50933218,141.4961897,7.860899425,8.914091019,224.3242092,112.1621046,177.9851524,224.3242092,12.46245607,112.1621046,-8.53E-14,1.44E-15,8.02E-17,-61.50933218,141.4961897,7.860899425,8.914091019,224.3242092,112.1621046,177.9851524,224.3242092,12.46245607,112.1621046,-8.53E-14,1.44E-15,8.02E-17,-61.50933218,141.4961897,7.860899425,8.914091019,238.8235554,119.3377036,189.9897135,238.6918682,13.26065934,119.3377036,-0.148148148,2.78E-16,1.54E-17,-64.47691771,141.1187067,7.83992815,8.90928257,0,11.89,12.11033566,-0.170505218,0.050061466,5.117340557,7.629202222,17,55,55,55,17,0,0,0,0,0,41.541866,3.551632232,3.487697223,3.383558746,3.242812953,3.070422627,2.872631318,2.656823602,2.431294242,1.957239491,1.911905942,1.83832157,1.73959505,1.62026285,1.486239505,1.344502657,1.202447703,3.579507374,3.51681736,3.414769755,3.276986917,3.108471828,2.915522109,2.705583358,2.486997699,1.898758876,1.850782112,1.772978768,1.668663437,1.542562836,1.400749969,1.250366272,1.099046756,3.701063879,3.643944125,3.55119529,3.42647556,3.274856345,3.102731876,2.917628749,2.727842171,1.725143636,1.669142203,1.578245765,1.456099737,1.307763931,1.13962196,0.959180925,0.774683267,3.599986664,3.53822117,3.437723831,3.302132879,3.13647601,2.9470839,2.74143748,2.527899713,1.861388673,1.811701602,1.731141127,1.623129243,1.492497505,1.345411877,1.189114043,1.031389095,3.75970607,3.705311727,3.617066847,3.49858499,3.354893699,3.192344912,3.018400394,2.841208087,1.670414917,1.611875944,1.516768501,1.388756526,1.232913413,1.055632581,0.864449324,0.667707524,3.617479979,3.569146835,3.485644719,3.366399728,3.214114081,3.034572311,2.83592442,2.627861083,1.820767129,1.761454892,1.666500145,1.541488127,1.393652166,1.231199618,1.062462301,0.895085064,0,0,0,0,0,2,16,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.3137085,8.914213562,5.949747468,3.957106781,2.621320344,1.728553391,1.133883476,0.739276695,0.739650472,0.524365504,0.371859217,0.263807119,0.187237167,0.132965645,0.09449029,0.067206972,13.3137085,8.914213562,5.949747468,3.957106781,2.621320344,1.728553391,1.133883476,0.739276695,0.739650472,0.524365504,0.371859217,0.263807119,0.187237167,0.132965645,0.09449029,0.067206972,28.29472827,53.86890022,50.78431373,51.44,33.17253533,430.7941521,0.505263005,0.961944647,0.906862745,0.918571429,0.592366702,7.692752716,7.2678,85.22,112.1621046,177.9851524,224.3242092,12.46245607,112.1621046,1.44E-15,8.02E-17,-61.50933218,141.4961897,7.860899425,8.914091019,434,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18,0,0,0,0,0,0,0,0,0,0,0,2,0,16,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.6,0,0,0,0,0,0,0,0,0,0,0,4.587806741,0,23.41219326,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.293903371,0,1.373269896,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.293903371,0,1.48882716,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,28,1.555555556,0.2,2.293903371,0.2,1.373269896,13.26660966,0.126730104,0.293903371,1.175613482,0.126730104,0.293903371,1.175613482,9,0.5,0,0,0.42857,0.7,0.42857,0.42857,0.7,0,0,0,0,0.71429,0,0,0.11111,0,0,8.5,0.47222,8.5,0.47222,0,0,-8.5,-0.47222,0,0,23.88573,1.32698,23.88573,0,0,8.91421,0.49523,8.91421,0,0,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,17,0,0,0,0,0,0,1,0.905928216,1.067689824,1.649984495,2.037082372,2.200436406,2.276256158,50.7319801,59.79063012,92.39913172,114.0766128,123.2244387,127.4703448,0.155996702,0.183851312,0.284119796,0.350776283,0.378905101,0.391960916,4.901426706,4.739665098,4.157370427,3.770272551,3.606918516,3.531098764,0.156698123,0.184677978,0.285397307,0.352353507,0.380608804,0.393723323,6.69838305,8.639522341,10.93350362,12.16441787,12.77864857,12.99816716,71.26744542,66.05869387,62.95518935,60.03488301,59.2183531,59.25916978,18,17,17.06666667,18,0,18,3.44,2.6448,0.058823529,4.705559331,0,0,27.40821233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,8.756,16,15,14,13,12,11,10,9,8,143,2.890371758,2.833213344,2.772588722,2.708050201,2.63905733,2.564949357,2.48490665,2.397895273,2.302585093,2.197224577,4.9698133,1,0.470588235,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15,0.882352941,17,1,2,9,17,0.888888889,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.029411765,0.013888889,0.008333333,0.005714286,0.004273504,0.003401361,0.002840909,0.002469136,0.002222222,0.002066116,0.088905447,112.1621046,177.9851524,224.3242092,12.46245607,112.1621046,1.44E-15,8.02E-17,-61.50933218,141.4961897,7.860899425,8.914091019,0,319.884182,5.169925001,4.204692619,4.859812404,5.525452939,6.192362489,6.863803391,7.535296702,8.209308412,8.883085524,9.558529412,96.83234389,3.555348061,0,4.59511985,0,5.758901774,0,6.980075941,0,8.23350314,8.576405051,254.2973512,4.541024129,34.82842974,1.934912763,0,0,0,969,15,10.582,66,1.239727273,2.141981109,2.864907322,3.608362742,4.945530051,5.965247811,7.286542895,8.395679,9.700619716,10.8492218,77.22180976,70.51299067,69.87261563,92.73447307,116.0597678,138.6901327,161.1391509,182.5840581,203.3334486,222.6027659,287.5990283,328.5094919,335.5789903,451.2390815,575.1687843,696.8837533,820.1149932,940.0171238,1058.668118,1172.569988,9.022993228,15.25360699,20.02938496,25.35261418,34.60213267,41.77136862,50.92286442,58.67862797,67.71398286,75.71489423,2.169157326,2.754390562,2.946847085,3.931885981,5.088916029,6.178069866,7.333651574,8.431647982,9.557345452,10.62604131,177.4363219,330.0767024,470.2782466,582.395182,809.3792899,973.3684455,1196.664171,1378.267709,1598.946039,1789.33943,2.314895455,3.378515451,3.999925376,5.214412599,6.947315485,8.435226474,10.17460013,11.74789101,13.48027805,15.09012267,0.449349955,0.581869207,0.629206638,0.837580236,1.08753577,1.320391753,1.570077692,1.805892944,2.049529942,2.280054874,760.7329959,746.4734661,19.33934094,220.8638792,-216.7239049,-13.19718425,539.8691167,963.197371,32.53652519,0.774995332,0.760468462,0.019701918,0.225004668,-0.220787077,-0.013444607,746.7331315,732.7360216,18.98343663,216.7992936,-212.7355078,-12.95431482,0.026903003,0.066410707,0.408867733,4.410969373,981.5968751,0,1,0,1055.386675,32.48671537,10.18131487,1423.494047,37.72922006,11.24912005,1804.077369,42.47443195,12.17358202,4.994331973,4.994331973,10848.3012,10794.60221,113.7084181,1.004974615,95.40455648,94.9323048,7.653189718,11.83718651,22.40291637,0.892587934,10.59822103,16.12487436,5.669739593,75.6290723,31.21531943,0.143686501,12.30469018,10.1355929,56.50116797,1.517879642,2.193583266,57.60247197,5.55522617,64.67709676,2.707161541,0.769066478,28.6166371,4.699874623,59.97700629,4.287088567,1.783447888,18.54006465,5.278308631,48.13106101,5.795343508,2.746377091,10.35550845,4.252101226,32.36227732,7.251381243,0.889435251,16.1240791,0.406415653,16.25635754,0.224622653,0.00136542,1.871119202,0.345727214,14.95391394,0.047760762,0.022743409,3.777262638,0.157459373,13.49288915,0.114388818,0.078774947,1.008446443,0.087008907,10.74793821,0.186279798,0.195296047,0.277632507,0.070902364,7.659266761,0.251813885,0.269480526,0.099698077,0.062393415,4.826399716,0.306767671,2.871205413,16.12413374,1.357693055,20.38966872,2.303284447,0.011075813,4.000612618,1.448731295,20.28108807,0.206644322,0.171160166,12.72694128,0.711743706,21.48738548,0.443591144,0.208483883,4.140719727,0.48344247,18.51874763,0.715661838,0.512412404,1.730464074,0.474048597,13.80560554,0.967437028,0.68691613,0.826683304,0.395438807,8.870242636,1.189141805,10.00385612,16.12478758,5.303981321,69.16916128,27.81557248,0.128131722,11.66587631,9.219531117,52.84206883,1.377928473,1.956431637,53.58663944,5.031086104,60.67574293,2.477667083,0.722847159,26.04095295,4.22462204,56.15739497,3.92719284,1.683725026,16.61726024,4.726100839,44.90525448,5.30883054,2.563558075,9.24425235,3.81088624,30.11872509,6.636911717,4.2316285,16.12420322,2.047259939,25.59824392,4.991302237,0.023484251,5.462508665,2.471746936,24.87436737,0.357637824,0.360545535,19.4755002,1.254811045,27.70378966,0.728973602,0.300848815,7.034163306,0.917448202,24.52951825,1.170422709,0.732198892,3.40325829,0.946703058,18.65280745,1.582187941,0.999646677,1.731461474,0.779105119,12.11440356,1.953766903,12.79888676,16.12523894,7.073415782,102.7549676,45.50904934,0.209047401,14.67001912,13.88698414,71.31585198,2.092772058,3.19002201,73.28958369,7.715804379,80.47773666,3.637226574,0.944692284,39.15868953,6.678494813,75.03428205,5.743208224,2.155512303,26.57312411,7.587909727,60.92424139,7.763750801,3.458682053,15.01885709,6.095462042,41.30251038,9.741449933,6.915595356,15.58121133,3.381949389,40.26973679,12.91345347,0.059839403,8.100380327,4.926045477,35.20398653,0.726921789,0.915025878,33.3886882,2.613830623,40.78764017,1.374975901,0.467991642,14.16436286,2.087183369,37.38681713,2.191220606,1.115383563,8.094587061,2.271990279,29.47418134,2.962116859,1.607608595,4.360224746,1.844450485,19.74873703,3.683985028,44.80933119,0.811455098,0.531638363,0.970898745,0.017582069,0.556665805,0.681689254,0.64284725,46.15242465,60.61452037,126.0977201,0.956348118,1.881202309,42.33030376,0.329070008,0.117916253,0.989550851,0.007692633,0.496804491,0.112118428,0.031624416,42.77729002,18.95986692,63.37968711,0.984326277,0.640547335,43.33175086,0.524004644,0.285055945,0.981670917,0.011871205,0.520575453,0.284359139,0.184814215,44.14081145,35.20738248,85.82068523,0.972506376,0.989748807,44.74963013,0.799844415,0.521675804,0.971315667,0.017361069,0.555184071,0.662338596,0.618979912,46.07115035,59.55480048,124.2981581,0.9569735,1.836502579,43.77089402,0.60945612,0.35834408,0.978367715,0.013622573,0.531174968,0.38465691,0.29206239,44.73869422,42.57987499,96.8779133,0.967551572,1.207894268,44.99570656,0.847699531,0.56273931,0.969606637,0.018266967,0.56130424,0.743878866,0.720260626,46.4061454,63.94072605,131.8113465,0.954409955,2.025443732,44.86603529,0.80217151,0.523771304,0.971294955,0.017366035,0.558074633,0.666151647,0.623962613,46.1919781,59.90995149,124.9525925,0.956942432,1.848188894 +UMLKV0017,L,N-NONADECANE,CCCCCCCCCCCCCCCCCCC,C19H40,Normal paraffin,Alkanes,629-92-5,3.633060895,PubChem,,4.699,0,-4.7934,22.97668356,61.2946,60.11172,0,0,59,19,40,0,19,0,0,0,0,0,0,0,0,0,2781.660859,3081.037698,3371.784041,3232.94296,3036.186231,2839.429502,2642.672773,2445.916044,2249.159315,9290.17091,12212.76889,16405.22306,17170.19815,16163.39981,15156.60146,14149.80312,13143.00477,12136.20643,412.008364,420.434568,809.418212,1129.48576,1066.60086,1003.71596,940.83106,877.94616,815.06126,70.77361619,94.7419724,140.0396758,156.3610825,147.3395536,138.3180247,129.2964959,120.274967,111.2534382,9805.798847,8407.200318,17739.67858,26801.02959,25322.07444,23843.11928,22364.16413,20885.20897,19406.25382,86.25,105,175.75,220.5,208.25,196,183.75,171.5,159.25,47.14679422,53.12133962,29.57705299,19.95643802,19.84435445,19.71826043,19.57535387,19.4120321,19.22358389,157.4605239,210.5649808,143.9054655,105.9888775,105.643136,105.2541768,104.8133564,104.3095617,103.7282601,6.98319261,7.248871862,7.100159754,6.972134321,6.971247451,6.970249722,6.969118963,6.967826667,6.966335556,1.199552817,1.633482283,1.228418208,0.965191867,0.963003618,0.960541839,0.957751821,0.95456323,0.950884087,166.1999805,144.9517296,155.6112156,165.4384543,165.5037545,165.5772172,165.660475,165.7556268,165.8654172,1.461864407,1.810344828,1.541666667,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,0.083341695,-0.004413885,-0.039942545,-9.91E-05,-2.82E-06,-2.45E-08,2.32E-17,2.32E-17,1.63E-17,1559.494353,-55.64654249,-721.2139697,-5.703770605,-5.842886961,-5.982003317,-6.121119674,-6.26023603,-6.399352386,2899.946343,-103.4771219,-1341.128174,-10.606405,-10.8650978,-11.12379061,-11.38248341,-11.64117622,-11.89986902,0.305494237,-0.010900776,-0.141280865,-0.00111733,-0.001144581,-0.001171833,-0.001199085,-0.001226337,-0.001253589,12.96410943,-0.462590881,-5.995466933,-0.047415565,-0.048572042,-0.04972852,-0.050884997,-0.052041474,-0.053197951,70.42124819,-2.512801006,-32.56747154,-0.257562103,-0.263844106,-0.270126108,-0.276408111,-0.282690113,-0.288972116,4.381355932,-0.637604137,-1.783467394,0.020683712,0.019534616,0.018385521,0.017236426,0.016087331,0.014938236,0.001412571,-7.61E-05,-3.50E-04,-6.12E-07,-1.84E-08,-1.70E-10,1.72E-19,1.84E-19,1.39E-19,26.43210768,-0.959423146,-6.326438331,-0.035208461,-0.038188804,-0.04154169,-0.045341627,-0.049684413,-0.05469532,49.15163293,-1.784088309,-11.76428223,-0.065471636,-0.071013711,-0.077248546,-0.084314692,-0.092390287,-0.101708282,0.005177868,-1.88E-04,-0.001239306,-6.90E-06,-7.48E-06,-8.14E-06,-8.88E-06,-9.73E-06,-1.07E-05,0.219730668,-0.007975705,-0.052591815,-2.93E-04,-3.17E-04,-3.45E-04,-3.77E-04,-4.13E-04,-4.55E-04,1.193580478,-0.043324155,-0.285679575,-0.00158989,-0.001724471,-0.001875876,-0.002047467,-0.002243572,-0.002469847,0.07426027,-0.010993175,-0.015644451,1.28E-04,1.28E-04,1.28E-04,1.28E-04,1.28E-04,1.28E-04,-0.053874427,-0.248039342,-4.33E-04,-1.30E-05,-1.20E-07,1.22E-16,1.30E-16,9.84E-17,-0.036297641,-0.239346722,-0.001332034,-0.001444788,-0.001571637,-0.0017154,-0.001879699,-0.002069276,-0.036297641,-0.239346722,-0.001332034,-0.001444788,-0.001571637,-0.0017154,-0.001879699,-0.002069276,-0.036297641,-0.239346722,-0.001332034,-0.001444788,-0.001571637,-0.0017154,-0.001879699,-0.002069276,-0.036297641,-0.239346722,-0.001332034,-0.001444788,-0.001571637,-0.0017154,-0.001879699,-0.002069276,-0.036297641,-0.239346722,-0.001332034,-0.001444788,-0.001571637,-0.0017154,-0.001879699,-0.002069276,-0.14803575,-0.210670535,0.001719321,0.001719321,0.001719321,0.001719321,0.001719321,0.001719321,1.57074266,1.447039901,0.959570863,0.958533206,0.957804237,0.956992589,0.956065131,0.954994987,1.552631579,1.461380425,0.972790773,0.971155831,0.96931652,0.967231969,0.964849624,0.962100765,1.552631579,1.461380425,0.972790773,0.971155831,0.96931652,0.967231969,0.964849624,0.962100765,1.552631579,1.461380425,0.972790773,0.971155831,0.96931652,0.967231969,0.964849624,0.962100765,1.552631579,1.461380425,0.972790773,0.971155831,0.96931652,0.967231969,0.964849624,0.962100765,1.552631579,1.461380425,0.972790773,0.971155831,0.96931652,0.967231969,0.964849624,0.962100765,1.711798839,1.277342292,0.858012752,0.865222943,0.873334408,0.882527402,0.89303368,0.905156309,250.0324011,125.0162005,198.3369899,250.0324011,13.15960006,125.0162005,-2.70E-13,7.77E-16,4.09E-17,-66.1026918,2000090.627,105267.9277,27.5665358,250.0324011,125.0162005,198.3369899,250.0324011,13.15960006,125.0162005,-2.70E-13,7.77E-16,4.09E-17,-66.1026918,2000090.627,105267.9277,27.5665358,250.0324011,125.0162005,198.3369899,250.0324011,13.15960006,125.0162005,-2.70E-13,7.77E-16,4.09E-17,-66.1026918,2000090.627,105267.9277,27.5665358,250.0324011,125.0162005,198.3369899,250.0324011,13.15960006,125.0162005,-2.70E-13,7.77E-16,4.09E-17,-66.1026918,2000090.627,105267.9277,27.5665358,250.0324011,125.0162005,198.3369899,250.0324011,13.15960006,125.0162005,-2.70E-13,7.77E-16,4.09E-17,-66.1026918,2000090.627,105267.9277,27.5665358,250.0324011,125.0162005,198.3369899,250.0324011,13.15960006,125.0162005,-2.70E-13,7.77E-16,4.09E-17,-66.1026918,2000090.627,105267.9277,27.5665358,265.4531267,132.6520019,211.0787358,265.319701,13.96419479,132.6520019,-0.149122807,2.11E-15,1.11E-16,-64.20548702,2000090.441,105267.918,27.56653562,0,11.89,12.11036032,-0.170505224,0.050088468,5.117349964,7.633957897,18,58,58,58,18,0,0,0,0,0,43.72828,3.553649603,3.495638064,3.40094554,3.272536822,3.114509066,2.932029072,2.73123387,2.519070979,1.958602376,1.917266688,1.850027867,1.759477818,1.649385448,1.524674121,1.391214457,1.255376239,3.581480835,3.524582182,3.431758865,3.305999036,3.151435223,2.97328186,2.777731761,2.571783261,1.900215111,1.85650293,1.785452108,1.689822786,1.573543877,1.441673668,1.300215287,1.155721055,3.7028415,3.650927396,3.566431468,3.45238118,3.312977638,3.153531445,2.980331461,2.800397289,1.726881995,1.6759697,1.593135798,1.481399444,1.344954697,1.189106606,1.020133673,0.845023696,3.601927562,3.545855607,3.454418923,3.330620162,3.178614041,3.003644757,2.81193874,2.610520933,1.862905161,1.817656622,1.744118897,1.645138557,1.524730938,1.388031652,1.241123417,1.090671173,3.761388008,3.711916024,3.631463192,3.523025612,3.390774113,3.239991686,3.076926988,2.908505747,1.672242375,1.619057442,1.53244689,1.415440191,1.27223682,1.108142405,0.929445376,0.743190065,3.620497975,3.576365645,3.500354861,3.39183247,3.252796415,3.087806741,2.903457392,2.70776199,1.821039033,1.76732135,1.680963292,1.566537242,1.430033456,1.27837989,1.11880919,0.958194961,0,0,0,0,0,2,17,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.02081528,9.414213562,6.303300859,4.207106781,2.798097039,1.853553391,1.222271824,0.801776695,0.737937646,0.523011865,0.370782403,0.262944174,0.186539803,0.132396671,0.09402091,0.066814725,14.02081528,9.414213562,6.303300859,4.207106781,2.798097039,1.853553391,1.222271824,0.801776695,0.737937646,0.523011865,0.370782403,0.262944174,0.186539803,0.132396671,0.09402091,0.066814725,29.83655608,56.75673707,53.50980392,54.2,34.97108982,453.8224072,0.50570434,0.961978594,0.906945829,0.918644068,0.592730336,7.691905207,7.6579,89.837,125.0162005,198.3369899,250.0324011,13.15960006,125.0162005,7.77E-16,4.09E-17,-66.1026918,2000090.627,105267.9277,27.5665358,486,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19,0,0,0,0,0,0,0,0,0,0,0,2,0,17,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.8,0,0,0,0,0,0,0,0,0,0,0,4.590893161,0,24.90910684,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.29544658,0,1.37345679,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.29544658,0,1.49,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,29.5,1.552631579,0.2,2.29544658,0.2,1.37345679,13.98945534,0.12654321,0.29544658,1.181786322,0.12654321,0.29544658,1.181786322,9.5,0.5,0,0,0.42881,0.7,0.42881,0.42881,0.7,0,0,0,0,0.71429,0,0,0.10526,0,0,9,0.47368,9,0.47368,0,0,-9,-0.47368,0,0,25.65601,1.35032,25.65601,0,0,9.41421,0.49548,9.41421,0,0,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,18,0,0,0,0,0,0,1,0.906579548,1.06291437,1.626933379,2.00430052,2.17087633,2.256544922,53.48819336,62.71194782,95.98906937,118.2537307,128.0817035,133.1361504,0.154110923,0.180686532,0.276565035,0.340714285,0.369030776,0.383593718,4.976063501,4.81972868,4.25570967,3.878342529,3.711766719,3.626098128,0.154759729,0.181447221,0.277729371,0.342148689,0.370584393,0.385208645,6.700326184,8.576344039,10.79984583,12.0181129,12.65962329,12.93864162,75.21928437,69.95203121,66.77249999,63.75741255,62.81520621,62.71546491,19,18,18,19,0,19,3.55,2.7857,0.055555556,4.737330783,0,0,29.49441332,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,9.255,17,16,15,14,13,12,11,10,9,154,2.944438979,2.890371758,2.833213344,2.772588722,2.708050201,2.63905733,2.564949357,2.48490665,2.397895273,2.302585093,5.043425117,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,0.888888889,18,1,2,9,18,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.027777778,0.013071895,0.0078125,0.005333333,0.003968254,0.003139717,0.002604167,0.002244669,0.002,0.001836547,0.084040397,125.0162005,198.3369899,250.0324011,13.15960006,125.0162005,7.77E-16,4.09E-17,-66.1026918,2000090.627,105267.9277,27.5665358,0,337.1801666,5.247927513,4.262679877,4.919980926,5.587248658,6.255750042,6.928537818,7.601402335,8.276649125,8.951699168,9.628326761,99.41227471,3.610917913,0,4.65396035,0,5.82008293,0,7.043159916,0,8.298290634,8.640472208,268.3130013,4.547677988,36.82842843,1.938338339,0,0,0,1140,16,11.151,70,1.240241379,2.142978762,2.865621606,3.609373373,4.946534055,5.966541704,7.287903293,8.397394796,9.702514192,10.85163115,77.48041674,70.88508067,70.28853909,93.35083431,116.9380918,139.8910982,162.7620471,184.7453287,206.214267,226.4415108,288.2476984,329.6715903,336.8177814,453.1157127,577.8167235,700.5402216,825.0378677,946.6087366,1067.438103,1184.296137,9.027460039,15.26316043,20.037065,25.36393982,34.61525625,41.78902305,50.9440708,58.70646715,67.74842359,75.76028701,2.172929263,2.761954689,2.954683622,3.94386476,5.105671697,6.20129514,7.364804301,8.473445119,9.612843792,10.70034027,177.4647638,330.0519454,470.2013115,582.2506708,809.0996712,972.9519767,1196.033166,1377.389952,1597.705888,1787.643423,2.311810345,3.379689553,4.000795472,5.215577728,6.948509499,8.436721717,10.17620587,11.74987816,13.48250684,15.09291696,0.450089224,0.583382448,0.630764863,0.839965443,1.090864789,1.325008712,1.576264408,1.814195938,2.060548647,2.294808869,800.2650961,827.5165085,20.34686252,202.1519316,-209.0358075,-11.85608717,598.1131646,1036.552316,32.20294969,0.798335497,0.825521201,0.020297802,0.201664503,-0.20853178,-0.0118275,802.199359,829.5166389,20.39604145,202.6405384,-209.5410529,-11.88474366,0.02552937,0.06301986,0.387991462,4.185750835,1002.417028,0,1,0,1117.468245,33.42855433,10.37715723,1504.949688,38.79368103,11.45971966,1920.534963,43.82390858,12.43008426,4.810005859,4.810005859,12735.25876,12678.15651,120.4409077,1.004503987,105.7386481,105.2645381,7.93606757,11.83718651,23.63849204,0.996968791,11.15602214,17.07339167,5.9660721,80.60195006,33.19016908,0.143702141,13.09900325,10.27362037,60.86556651,1.548691394,2.193989343,62.15169817,5.665764755,70.64213338,2.707229722,0.771106998,31.66503215,4.699885611,66.78826131,4.287089183,1.789533826,21.15534345,5.278308651,55.28244716,5.795343523,2.760966666,12.41544213,4.252101282,39.30388052,7.251381244,0.936247633,17.0725543,0.428532585,17.26975014,0.238688997,0.001380933,1.99367827,0.346699708,16.0328661,0.047977799,0.023149485,4.089625858,0.158237906,14.64252511,0.114389299,0.080813935,1.110424744,0.087008986,11.85889572,0.186279803,0.201318387,0.314364754,0.07090237,8.66223764,0.251813885,0.28337646,0.118633652,0.062393434,5.686604186,0.306767671,3.022321487,17.07261183,1.430902712,21.67087368,2.448631415,0.011091334,4.260275838,1.458862644,21.77569558,0.2089058,0.171566242,13.76849696,0.719856613,23.37463042,0.443596148,0.210523184,4.568327256,0.483443278,20.50852291,0.715661883,0.518447693,1.968561616,0.474048604,15.7111301,0.967437029,0.700952238,0.988943536,0.395438828,10.57758626,1.189141805,10.53037487,17.07330029,5.58179998,73.70846553,29.57523628,0.128147349,12.41905972,9.342511355,56.91513324,1.405381208,1.956837714,57.82850241,5.129573993,66.25919915,2.477727831,0.724887585,28.81140256,4.22463183,62.51895223,3.927193389,1.68980706,18.95971828,4.726100858,51.55554721,5.308830553,2.578104686,11.08255786,3.810886292,36.54857311,6.636911718,4.45434579,17.07268499,2.156992277,27.22375049,5.306628153,0.023499783,5.81629409,2.493752705,26.7300164,0.36254999,0.360951612,21.05789844,1.272433363,30.17021973,0.728984472,0.30288833,7.767195002,0.917449955,27.20711793,1.170422807,0.738243079,3.87607742,0.946703066,21.28256214,1.582187944,1.01377943,2.07325403,0.779105143,14.52032898,1.953766903,13.47251238,17.07377555,7.440257118,109.5502397,48.38866883,0.209063101,15.61662291,14.08828307,76.86134666,2.137708013,3.190428088,79.03132149,7.877014516,87.95413157,3.637326008,0.946733151,43.34697255,6.678510837,83.62493638,5.743209122,2.161612714,30.32906834,7.587909753,70.07252915,7.763750823,3.473431273,18.00915273,6.095462115,50.29725483,9.741449934,7.288750689,16.52523199,3.571662814,42.99962939,13.78177563,0.060079531,8.644132192,5.001874766,37.95534965,0.74244381,0.918854562,36.14129206,2.669538814,44.547254,1.380187878,0.471659986,15.69556058,2.095056661,41.57048227,2.199481818,1.125247269,9.258193517,2.28055575,33.70321167,2.97328412,1.627049083,5.242714301,1.851404143,23.71255955,3.697873743,49.74462914,0.815729485,0.532600683,0.973610255,0.015965595,0.556669403,0.68441372,0.644058343,51.09295931,67.50664226,140.2115577,0.960415382,1.885141466,47.13286822,0.330866171,0.117956823,0.990567317,0.006953645,0.499749875,0.112598114,0.03159133,47.58169121,21.19334295,70.61453208,0.985850976,0.643939319,48.1870733,0.526575267,0.285322703,0.983430306,0.01074666,0.52235536,0.285198541,0.184839349,48.99897127,39.27323085,95.5120149,0.975145459,0.99239325,49.68164717,0.804037125,0.522601648,0.973991701,0.015762873,0.55526069,0.664934076,0.620102272,51.00828594,66.32979058,138.2138638,0.960987551,1.840297039,48.64971915,0.61246368,0.358772482,0.980426895,0.012342843,0.532433817,0.385822069,0.292253703,49.62095531,47.47010164,107.7811086,0.970640343,1.210509588,49.9412738,0.852235806,0.563820042,0.972427386,0.016594239,0.561079223,0.747043583,0.72177659,51.35732965,71.20014048,146.5546332,0.958641078,2.029899396,49.80602731,0.80648631,0.52473236,0.973967729,0.015771016,0.558044409,0.668991169,0.625169048,51.13724598,66.72590289,138.9405349,0.960951593,1.852204626 +UMLKV0018,L,N-EICOSANE,CCCCCCCCCCCCCCCCCCCC,C20H42,Normal paraffin,Alkanes,112-95-8,3.684580923,PubChem,,5.3926,0,-5.0814,25.82062596,64.2062,63.205306,0,0,62,20,42,0,20,0,0,0,0,0,0,0,0,0,2927.957108,3249.515995,3565.492578,3429.699689,3232.94296,3036.186231,2839.429502,2642.672773,2445.916044,9775.855301,12865.75902,17318.77017,18176.9965,17170.19815,16163.39981,15156.60146,14149.80312,13143.00477,432.985808,442.210348,852.14772,1192.37066,1129.48576,1066.60086,1003.71596,940.83106,877.94616,74.451742,99.75796102,147.7273659,165.3826113,156.3610825,147.3395536,138.3180247,129.2964959,120.274967,10302.42851,8840.23977,18663.88078,28279.98475,26801.02959,25322.07444,23843.11928,22364.16413,20885.20897,90.5,110.25,185,232.75,220.5,208.25,196,183.75,171.5,47.22511465,53.27075402,29.71243815,20.05672333,19.95643802,19.84435445,19.71826043,19.57535387,19.4120321,157.6750855,210.9140823,144.3230848,106.2982251,105.9888775,105.643136,105.2541768,104.8133564,104.3095617,6.983642065,7.249349967,7.101231,6.972927836,6.972134321,6.971247451,6.970249722,6.969118963,6.967826667,1.200834548,1.63537641,1.231061382,0.967149774,0.965191867,0.963003618,0.960541839,0.957751821,0.95456323,166.1682017,144.9219634,155.5323398,165.3800278,165.4384543,165.5037545,165.5772172,165.660475,165.7556268,1.459677419,1.807377049,1.541666667,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,0.08752305,-0.004413885,-0.042033223,-9.91E-05,-2.82E-06,-2.45E-08,1.63E-17,2.32E-17,2.32E-17,1640.249154,-55.55682619,-761.1663126,-5.417105502,-5.543084699,-5.669063897,-5.795043095,-5.921022292,-6.04700149,3050.113343,-103.3102907,-1415.421261,-10.073339,-10.3076027,-10.54186639,-10.77613009,-11.01039379,-11.24465749,0.321313548,-0.010883201,-0.149107255,-0.001061174,-0.001085852,-0.001110531,-0.001135209,-0.001159888,-0.001184566,13.63542579,-0.461845067,-6.327591602,-0.045032512,-0.04607978,-0.047127048,-0.048174315,-0.049221583,-0.050268851,74.06784933,-2.508749735,-34.37157801,-0.244617321,-0.250306096,-0.255994871,-0.261683646,-0.267372421,-0.273061196,4.548387097,-0.636316337,-1.867845994,0.019771072,0.018730489,0.017689906,0.016649324,0.015608741,0.014568158,0.001411662,-7.24E-05,-3.50E-04,-5.80E-07,-1.74E-08,-1.60E-10,1.13E-19,1.72E-19,1.84E-19,26.45563152,-0.910767642,-6.343052605,-0.03167898,-0.034216572,-0.037052705,-0.040243355,-0.043859424,-0.047992075,49.19537651,-1.693611322,-11.79517718,-0.058908415,-0.063627177,-0.068901088,-0.074834237,-0.081558473,-0.089243313,0.005182477,-1.78E-04,-0.00124256,-6.21E-06,-6.70E-06,-7.26E-06,-7.88E-06,-8.59E-06,-9.40E-06,0.219926222,-0.007571231,-0.05272993,-2.63E-04,-2.84E-04,-3.08E-04,-3.35E-04,-3.65E-04,-3.99E-04,1.194642731,-0.041127045,-0.286429817,-0.001430511,-0.001545099,-0.001673169,-0.001817248,-0.001980536,-0.002167152,0.073361082,-0.010431415,-0.015565383,1.16E-04,1.16E-04,1.16E-04,1.16E-04,1.16E-04,1.16E-04,-0.05125785,-0.248130809,-4.11E-04,-1.23E-05,-1.13E-07,8.00E-17,1.22E-16,1.30E-16,-0.03442623,-0.239761905,-0.001197438,-0.001293357,-0.00140056,-0.001521164,-0.001657848,-0.001814059,-0.03442623,-0.239761905,-0.001197438,-0.001293357,-0.00140056,-0.001521164,-0.001657848,-0.001814059,-0.03442623,-0.239761905,-0.001197438,-0.001293357,-0.00140056,-0.001521164,-0.001657848,-0.001814059,-0.03442623,-0.239761905,-0.001197438,-0.001293357,-0.00140056,-0.001521164,-0.001657848,-0.001814059,-0.03442623,-0.239761905,-0.001197438,-0.001293357,-0.00140056,-0.001521164,-0.001657848,-0.001814059,-0.142192768,-0.212174941,0.001576044,0.001576044,0.001576044,0.001576044,0.001576044,0.001576044,1.567362977,1.44957654,0.961538305,0.960587319,0.959937669,0.959220443,0.958407717,0.957478888,1.55,1.46327381,0.974199387,0.972736626,0.971101774,0.969262566,0.967178131,0.964795918,1.55,1.46327381,0.974199387,0.972736626,0.971101774,0.969262566,0.967178131,0.964795918,1.55,1.46327381,0.974199387,0.972736626,0.971101774,0.969262566,0.967178131,0.964795918,1.55,1.46327381,0.974199387,0.972736626,0.971101774,0.969262566,0.967178131,0.964795918,1.55,1.46327381,0.974199387,0.972736626,0.971101774,0.969262566,0.967178131,0.964795918,1.703900709,1.285254137,0.862718261,0.869254006,0.876558661,0.884776399,0.894089835,0.904733761,277.130229,138.5651145,219.7889339,277.130229,13.85651145,138.5651145,1.42E-13,1.67E-16,8.33E-18,-72.66267092,170.2748272,8.513741361,10.27482752,277.130229,138.5651145,219.7889339,277.130229,13.85651145,138.5651145,1.42E-13,1.67E-16,8.33E-18,-72.66267092,170.2748272,8.513741361,10.27482752,277.130229,138.5651145,219.7889339,277.130229,13.85651145,138.5651145,1.42E-13,1.67E-16,8.33E-18,-72.66267092,170.2748272,8.513741361,10.27482752,277.130229,138.5651145,219.7889339,277.130229,13.85651145,138.5651145,1.42E-13,1.67E-16,8.33E-18,-72.66267092,170.2748272,8.513741361,10.27482752,277.130229,138.5651145,219.7889339,277.130229,13.85651145,138.5651145,1.42E-13,1.67E-16,8.33E-18,-72.66267092,170.2748272,8.513741361,10.27482752,277.130229,138.5651145,219.7889339,277.130229,13.85651145,138.5651145,1.42E-13,1.67E-16,8.33E-18,-72.66267092,170.2748272,8.513741361,10.27482752,293.4727088,146.6613544,233.2674087,293.3377088,14.66688544,146.6613544,-0.15,2.22E-16,1.11E-17,-72.08730678,169.9405109,8.497025547,10.27089688,0,11.89,12.1103855,-0.17050523,0.050116077,5.117354538,7.637546904,19,61,61,61,19,0,0,0,0,0,45.914694,3.555396642,3.502524746,3.416061711,3.298473503,3.153171971,2.984468219,2.797500349,2.598120287,1.959791024,1.921947678,1.860273671,1.77694855,1.675130979,1.558951179,1.433373212,1.303881268,3.583190517,3.531319049,3.446536363,3.331329192,3.18914051,3.024323301,2.842065852,2.648270127,1.901483611,1.86149316,1.796360452,1.708403256,1.600915188,1.478142029,1.345157238,1.207586594,3.704384375,3.656997999,3.579712616,3.475055212,3.346535244,3.19859814,3.036532817,2.866299884,1.728391395,1.681907288,1.60612071,1.503553475,1.377711191,1.233037141,1.074815748,0.908989342,3.60360953,3.552481446,3.468945852,3.355502631,3.215614596,3.053661352,2.874862275,2.685147766,1.864225161,1.822847707,1.755461981,1.664455733,1.553194099,1.425987596,1.287974078,1.144865316,3.762849279,3.717662887,3.644025115,3.544441156,3.422400031,3.282329882,3.129495734,2.969799405,1.673827728,1.625297201,1.546106106,1.438780966,1.306827306,1.154683125,0.987631525,0.811642997,3.623190491,3.582721494,3.513214722,3.414023424,3.286627725,3.134647683,2.963452066,2.779691441,1.821206051,1.772334321,1.693486401,1.58843776,1.462180895,1.320579698,1.16989866,1.016273588,0,0,0,0,0,2,18,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.72792206,9.914213562,6.656854249,4.457106781,2.974873734,1.978553391,1.310660172,0.864276695,0.736396103,0.521800714,0.369825236,0.262182752,0.185929608,0.131903559,0.093618584,0.066482823,14.72792206,9.914213562,6.656854249,4.457106781,2.974873734,1.978553391,1.310660172,0.864276695,0.736396103,0.521800714,0.369825236,0.262182752,0.185929608,0.131903559,0.093618584,0.066482823,31.37838388,59.64457393,56.23529412,56.96,36.76964431,476.8506623,0.506102966,0.962009257,0.907020873,0.918709677,0.593058779,7.691139714,8.048,94.454,138.5651145,219.7889339,277.130229,13.85651145,138.5651145,1.67E-16,8.33E-18,-72.66267092,170.2748272,8.513741361,10.27482752,542,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20,0,0,0,0,0,0,0,0,0,0,0,2,0,18,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,4.593663244,0,26.40633676,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.296831622,0,1.373614958,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.296831622,0,1.490867769,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,31,1.55,0.2,2.296831622,0.2,1.373614958,14.71231684,0.126385042,0.296831622,1.187326488,0.126385042,0.296831622,1.187326488,10,0.5,0,0,0.42903,0.7,0.42903,0.42903,0.7,0,0,0,0,0.71429,0,0,0.1,0,0,9.5,0.475,9.5,0.475,0,0,-9.5,-0.475,0,0,27.45143,1.37257,27.45143,0,0,9.91421,0.49571,9.91421,0,0,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,19,0,0,0,0,0,0,1,0.907165768,1.058454669,1.605372519,1.973345602,2.142026249,2.235464861,56.24427759,65.62418946,99.53309619,122.3474273,132.8056275,138.5988214,0.152357383,0.177766169,0.269620354,0.331420984,0.359750693,0.375443594,5.047030543,4.895741642,4.348823791,3.980850708,3.812170061,3.71873145,0.152960031,0.178469322,0.270686835,0.332731917,0.361173683,0.376928657,6.702063665,8.517530479,10.67476453,11.87836843,12.54011705,12.86654866,79.17093669,73.84965313,70.59927402,67.49750984,66.44017479,66.21612502,20,19,19.05882353,20,0,20,3.66,2.9266,0.052631579,4.766201995,0,0,31.58949783,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,9.754,18,17,16,15,14,13,12,11,10,165,2.995732274,2.944438979,2.890371758,2.833213344,2.772588722,2.708050201,2.63905733,2.564949357,2.48490665,2.397895273,5.111987788,1,0.473684211,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17,0.894736842,19,1,2,10,19,0.9,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.026315789,0.012345679,0.007352941,0.005,0.003703704,0.002915452,0.002403846,0.002057613,0.001818182,0.001652893,0.079648106,138.5651145,219.7889339,277.130229,13.85651145,138.5651145,1.67E-16,8.33E-18,-72.66267092,170.2748272,8.513741361,10.27482752,0,354.4761512,5.321928095,4.317488114,4.976733742,5.645446898,6.315358002,6.989335266,7.663407665,8.339739766,9.015905747,9.693568669,101.9569839,3.663561646,0,4.709530201,0,5.877735782,0,7.102499356,0,8.359134887,8.700680735,282.3286513,4.553687925,38.82842778,1.941421389,0,0,0,1330,17,11.72,74,1.240704918,2.14387665,2.866260702,3.610271712,4.947419942,5.967673861,7.289082305,8.398865478,9.70411721,10.85363894,77.71358697,71.21996167,70.66068112,93.89871096,117.7130835,140.941943,164.1685571,186.5978463,208.6518825,229.6404649,288.8325648,330.7174788,337.9261735,454.7838294,580.1531405,703.7396314,829.304359,952.2586904,1074.858858,1194.067928,9.031487491,15.27175853,20.04393662,25.37400705,34.62683589,41.80447067,50.96244967,58.73032931,67.77756574,75.79811433,2.17633019,2.768762403,2.96169526,3.954512563,5.120456111,6.221617256,7.391803331,8.509271237,9.659803926,10.76225607,177.4904082,330.029664,470.1324748,582.1222165,808.8529488,972.5875665,1195.486295,1376.637588,1596.656529,1786.230085,2.309028689,3.380746245,4.001573979,5.216613399,6.949563041,8.438030054,10.1775975,11.75158142,13.48439273,15.09524553,0.450755779,0.584744366,0.632159063,0.842085626,1.09380216,1.329048552,1.581626228,1.82131279,2.069872167,2.307103865,823.2941484,894.7975938,20.98572099,199.4158989,-216.7352542,-11.67591478,623.8782495,1111.532848,32.66163577,0.805012281,0.874927939,0.020519717,0.194987719,-0.211922485,-0.011416642,841.9911974,915.1184895,21.46230771,203.9446434,-221.657322,-11.94107536,0.024289194,0.059958456,0.369143462,3.982413805,1022.710047,0,1,0,1179.549814,34.34457474,10.56587404,1586.405329,39.82970411,11.66285081,2037.25016,45.13590766,12.67695028,5.270794651,5.270794651,14830.02981,14770.24272,126.4549868,1.004047807,117.2751679,116.8023745,8.206412775,13.06137564,24.88207201,0.905011592,11.71382324,18.02190897,6.262404606,85.57482783,35.16501873,0.143717782,13.89331633,10.41164784,65.22996505,1.579503146,2.194395421,66.70092436,5.77630334,76.60716999,2.707297902,0.773147517,34.71342721,4.699896599,73.59951633,4.287089799,1.795619765,23.77062224,5.278308671,62.43383331,5.795343538,2.775556241,14.47537581,4.252101338,46.24548372,7.251381244,0.983060014,18.02102951,0.450649517,18.28314274,0.252755342,0.001396445,2.116237337,0.347672202,17.11181825,0.048194836,0.023555561,4.401989078,0.159016439,15.79216108,0.114389779,0.082852923,1.212403046,0.087009066,12.96985324,0.186279807,0.207340726,0.351097,0.070902376,9.66520852,0.251813885,0.297272395,0.137569228,0.062393452,6.546808657,0.306767671,3.173437561,18.02108993,1.504112369,22.95207863,2.593978383,0.011106855,4.519939059,1.468993992,23.2703031,0.211167279,0.171972318,14.81005263,0.72796952,25.26187537,0.443601153,0.212562484,4.995934784,0.483444086,22.49829819,0.715661928,0.524482981,2.206659158,0.474048611,17.61665466,0.967437031,0.714988347,1.151203768,0.39543885,12.28492989,1.189141805,11.05689361,18.021813,5.859618639,78.24776977,31.33490008,0.128162975,13.17224313,9.465491593,60.98819765,1.432833942,1.957243791,62.07036539,5.228061882,71.84265538,2.477788579,0.726928011,31.58185216,4.224641621,68.88050949,3.927193937,1.695889093,21.30217632,4.726100876,58.20583994,5.308830566,2.592651297,12.92086336,3.810886344,42.97842113,6.636911719,4.677063079,18.02116677,2.266724615,28.84925706,5.621954069,0.023515315,6.170079515,2.515758473,28.58566543,0.367462156,0.361357688,22.64029667,1.290055681,32.63664979,0.728995343,0.304927846,8.500226697,0.917451709,29.88471761,1.170422905,0.744287266,4.34889655,0.946703074,23.91231684,1.582187946,1.027912183,2.415046585,0.779105168,16.9262544,1.953766903,14.146138,18.02231216,7.807098454,116.3455118,51.26828832,0.209078801,16.5632267,14.28958201,82.40684134,2.182643968,3.190834166,84.77305929,8.038224653,95.43052647,3.637425443,0.948774018,47.53525557,6.678526861,92.21559071,5.74321002,2.167713125,34.08501257,7.587909779,79.2208169,7.763750844,3.488180492,20.99944838,6.095462189,59.29199928,9.741449935,7.661784194,17.46968016,3.761365792,45.73259846,14.65103619,0.06029829,9.188466368,5.076326042,40.71188229,0.757791926,0.922357561,38.89977161,2.724620974,48.31674418,1.384906782,0.475173382,17.23172141,2.102181219,45.76821318,2.206956943,1.134749299,10.42659762,2.288306158,37.94965749,2.983388737,1.646003791,6.129526146,1.857696114,27.6957331,3.71044085,54.94508006,0.815067305,0.533469876,0.976044581,0.014478858,0.556503321,0.689634117,0.645152241,56.29361724,74.53029721,154.7147965,0.964066872,1.891289679,52.19721615,0.329744978,0.117993365,0.991495133,0.006263563,0.50225278,0.112885582,0.031561496,52.6449545,23.40960282,78.08543197,0.987242699,0.646699858,53.30543611,0.52553287,0.285563246,0.985012046,0.009711134,0.523796569,0.286787816,0.184861736,54.11653222,43.38590503,105.5021371,0.977518068,0.995446121,54.87872595,0.80335335,0.523437838,0.976393933,0.01429314,0.555160444,0.669970167,0.621115885,56.20551714,73.23311554,152.515441,0.9645909,1.846246496,53.79218074,0.611500993,0.359158974,0.982275208,0.011166349,0.533402254,0.388280881,0.292425912,54.7628407,52.43354242,119.0105483,0.973412812,1.214109047,55.15228193,0.851644467,0.564796392,0.974960706,0.015055041,0.56070715,0.752858117,0.723146414,56.56872279,78.60095135,161.6982374,0.96244106,2.036711681,55.01132567,0.805782154,0.525600533,0.97636992,0.014301445,0.55784539,0.673984582,0.626259033,56.34270836,73.66464612,153.3057253,0.964554881,1.858089005 +UMLKV0019,L,ISOBUTANE,CC(C)C,C4H10,Paraffin (non-normal),butanes,75-28-5,2.045374132,PubChem,,0.2773,0,1.0124,1.02495376,20.0003,13.70793,0,0,14,4,10,0,4,0,0,0,0,0,0,0,0,0,587.217124,553.863243,587.221995,227.07216,27.433728,0,0,0,0,2004.905051,2417.916869,2927.143802,2345.012795,839.2610996,0,0,0,0,97.346704,93.797868,168.499308,188.583552,181.398528,0,0,0,0,15.60172905,19.5021431,25.73074786,24.04531372,12.00454843,0,0,0,0,2356.353945,1911.608545,3882.112509,4420.464727,4992.776605,0,0,0,0,23.77777778,27.33333333,39,45,27,0,0,0,0,41.94408029,42.60486485,24.46758313,8.41008,1.016064,0,0,0,0,143.2075037,185.9936053,121.9643251,86.85232572,31.08374443,0,0,0,0,6.953336,7.215220615,7.0208045,6.984576,6.718464,0,0,0,0,1.114409218,1.500164854,1.072114494,0.890567175,0.444612905,0,0,0,0,168.310996,147.0468112,161.7546879,163.7209158,184.917652,0,0,0,0,1.698412698,2.102564103,1.625,1.666666667,1,0,0,0,0,0.019912156,-0.005260684,9.27E-04,-0.020091701,0.014468957,0,0,0,0,345.9028829,-61.76837194,-22.2366139,-355.7858224,266.8393668,0,0,0,0,643.2211813,-114.8609252,-41.34993308,-661.5989293,496.199197,0,0,0,0,0.06776,-0.0121,-0.004356,-0.069696,0.052272,0,0,0,0,2.875497957,-0.513481778,-0.18485344,-2.957655041,2.218241281,0,0,0,0,15.61975054,-2.789241168,-1.00412682,-16.06602913,12.04952184,0,0,0,0,2.317460317,-1.437641723,1.503401361,-2.755102041,1.530612245,0,0,0,0,0.001422297,-4.05E-04,3.86E-05,-7.44E-04,5.36E-04,0,0,0,0,24.70734878,-4.751413226,-0.926525579,-13.17725268,9.88293951,0,0,0,0,45.94437009,-8.835455786,-1.722913878,-24.50366405,18.37774804,0,0,0,0,0.00484,-9.31E-04,-1.81E-04,-0.002581333,0.001936,0,0,0,0,0.205392711,-0.039498598,-0.007702227,-0.109542779,0.082157084,0,0,0,0,1.115696467,-0.214557013,-0.041838618,-0.595038116,0.446278587,0,0,0,0,0.16553288,-0.110587825,0.062641723,-0.102040816,0.056689342,0,0,0,0,-0.284517269,0.027167014,-0.52319391,0.37677599,0,0,0,0,-0.192307692,-0.0375,-0.533333333,0.4,0,0,0,0,-0.192307692,-0.0375,-0.533333333,0.4,0,0,0,0,-0.192307692,-0.0375,-0.533333333,0.4,0,0,0,0,-0.192307692,-0.0375,-0.533333333,0.4,0,0,0,0,-0.192307692,-0.0375,-0.533333333,0.4,0,0,0,0,-0.668071654,0.378424658,-0.616438356,0.342465753,0,0,0,0,1.836900569,0.984166918,1.611121724,0,0,0,0,0,1.75,1.1375,1.516666667,0,0,0,0,0,1.75,1.1375,1.516666667,0,0,0,0,0,1.75,1.1375,1.516666667,0,0,0,0,0,1.75,1.1375,1.516666667,0,0,0,0,0,1.75,1.1375,1.516666667,0,0,0,0,0,2.253424658,0.467465753,1.869863014,0,0,0,0,0,9.291502622,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,-8.88E-16,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9.291502622,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,-8.88E-16,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9.291502622,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,-8.88E-16,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9.291502622,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,-8.88E-16,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9.291502622,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,-8.88E-16,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9.291502622,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,-8.88E-16,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,11.89737866,5.886189331,8.323689331,11.83487866,2.958719666,5.890335365,-0.125,0,0,0,3000000,750000,5.965649139,0,11.89,12.11003668,-0.166165952,0.054292795,5.11729559,6.394051595,3,13,13,13,3,0,0,0,0,0,10.93207,3.367677256,2.333552793,2.333552793,1.050942244,0.083923071,0.083923071,0.083923071,0.083923071,1.844888628,1.249629723,1.249629723,0.405884732,0.083923071,0.083923071,0.083923071,0.083923071,3.400369243,2.405454588,2.405454588,1.16859853,0.270913902,0.270913902,0.270913902,0.270913902,1.776461506,1.134540686,1.134540686,0.250678463,0.270913902,0.270913902,0.270913902,0.270913902,3.543581628,2.704236987,2.704236987,1.635536755,0.943918427,0.943918427,0.943918427,0.943918427,1.57200699,0.76031856,0.76031856,0.28072546,0.943918427,0.943918427,0.943918427,0.943918427,3.424434988,2.457539916,2.457539916,1.25257629,0.399277246,0.399277246,0.399277246,0.399277246,1.732589073,1.058262671,1.058262671,0.145867715,0.399277246,0.399277246,0.399277246,0.399277246,3.612801227,2.838982085,2.838982085,1.834792115,1.207644823,1.207644823,1.207644823,1.207644823,1.507411593,0.631337262,0.631337262,0.475107896,1.207644823,1.207644823,1.207644823,1.207644823,3.41694038,2.571572866,2.571572866,1.289302241,0.545454545,0.545454545,0.545454545,0.545454545,1.723618466,0.935209229,0.935209229,0.073533247,0.545454545,0.545454545,0.545454545,0.545454545,0,0,0,0,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.577350269,0,0,0,0.577350269,0,0,0,0,0,0,0,0,0,3.577350269,1.732050808,1.732050808,0,0,0,0,0,0.894337567,0.577350269,0.577350269,0,0,0,0,0,3.577350269,1.732050808,1.732050808,0,0,0,0,0,0.894337567,0.577350269,0.577350269,0,0,0,0,0,6.709139019,13.43918427,12.62745098,12.8,7.992772455,108.3985808,0.479224216,0.959941733,0.901960784,0.914285714,0.570912318,7.742755774,1.6623,20.512,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.8,0,0,0,0,0,0,0,0,0,0,0,6.5,0,0,0,0,0,0.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.333333333,1.833333333,0.2,2.166666667,0.2,0.833333333,3.162166667,0.5,0.166666667,1,0.5,0.166666667,1,2,0.5,0,0,0.41429,0.7,0.41429,0.41429,0.7,0,0,0,0,0.71429,0,0,0.75,0.25,0,1.5,0.375,1.5,0.375,0,0,-1.5,-0.375,0,0,3.23204,0.80801,3.23204,0,0,1.73204,0.43301,1.73204,0,0,0.18196,0.04549,0.18196,0.04549,0,3,0,0,0,0,0,0,1,0.863120569,1.094914318,1.429911171,1.157957248,0.409776378,0,12.08368796,15.32880046,20.01875639,16.21140147,5.736869286,0,0.226698216,0.287578737,0.375565504,0.304136933,0.107627575,0,2.944234353,2.712440604,2.377443751,2.649397674,3.397578545,3.807354922,0.233248109,0.295887625,0.386416556,0.31292423,0.110737212,0,6.546092095,9.327617094,9.665235307,6.401788231,0.412982891,0,15.86062537,13.67114307,14.16374991,12.53202637,3.687987398,0,4,1.333333333,0,4,0,3,1.9,0.6722,1.5,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,1.542,3,0,0,0,0,0,0,0,0,10,1.386294361,1.386294361,0,0,0,0,0,0,0,0,2.397895273,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,1,0,1,2,1,1.5,0,0,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0.5,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,0,77.7403972,3,2.564949357,2.944438979,3.610917913,4.007333185,4.691347882,5.093750201,5.783825182,6.188264123,6.880384082,48.76521091,1.945910149,0,2.944438979,0,4.007333185,0,5.093750201,0,6.188264123,6.59441346,58.07825032,4.148446451,6.732050808,1.683012702,0,0,0,9,0,2.555,12,1.207615385,2.074292344,2.859768772,3.345220546,0,0,0,0,0,0,61.06881987,58.59234619,24.72585252,3.398958169,0,0,0,0,0,0,247.0820973,276.6206607,253.4684462,103.9819805,0,0,0,0,0,0,8.743989366,14.62175995,19.99856457,22.47474381,0,0,0,0,0,0,1.933556328,2.37188821,2.58752547,1.487328224,0,0,0,0,0,0,175.6597976,331.2416184,466.2690023,618.5903289,0,0,0,0,0,0,2.592461538,3.546572204,4.827138459,3.345220546,0,0,0,0,0,0,0.403174038,0.503720875,0.563550391,0.342550584,0,0,0,0,0,0,303.38177,72.04860789,7.157083375,124.6310057,-29.59798957,-7.357259815,178.7507642,101.6465975,14.51434319,0.708814753,0.168332844,0.016721658,0.291185247,-0.069152117,-0.017189346,129.8512735,30.83772465,3.063323121,53.3436627,-12.66831767,-3.149001195,0.122710093,0.264390249,2.74445919,14.62558684,428.0127757,0,1,0,186.2447074,13.64715016,5.710769702,283.1150683,16.82602354,6.566304143,256.0864727,16.00270204,6.350319059,1.174792123,1.174792123,108.1869239,63.68933332,63.6878559,1.698666296,1.698705702,1.000023198,2.86745198,2.151830091,4.101713045,0.906150984,2.789005534,2.845632767,1.832602745,5.757035126,2.473511415,0.322932325,2.13290188,7.73E-07,5.41E-35,7.30E-85,1.90E-156,9.53E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234061908,2.845426273,0.096940218,3.18530119,0.024648609,0.002641926,0.015022202,5.45E-09,3.81E-37,5.14E-87,1.34E-158,6.71E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.755580372,2.845440465,0.350399822,3.709602305,0.200110502,0.024645551,0.156542931,5.68E-08,3.97E-36,5.36E-86,1.39E-157,7.00E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.632593716,2.845610235,1.690677787,5.599367375,2.208830678,0.287979925,1.900377176,6.89E-07,4.82E-35,6.50E-85,1.69E-156,8.49E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.113586447,2.845458508,0.554329256,4.069709981,0.41688162,0.052629129,0.340032163,1.23E-07,8.63E-36,1.16E-85,3.03E-157,1.52E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368128095,2.845727422,2.398586387,6.341066761,3.583809945,0.469767806,3.110636939,1.13E-06,7.89E-35,1.06E-84,2.77E-156,1.39E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.604254423,2.257589742,0.692400209,5.179687504,0.763890586,0.09750119,0.634582378,2.30E-07,1.61E-35,2.17E-85,5.65E-157,2.84E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.424434498,1.424402379,0.527541276,0.421882394,0.421872881,0.535505238,0.535503266,0.467704298,3.376378154,3.531846931,7.978589394,0.265632912,1.538712803,0.931304952,0.931279515,0.16659022,0.458957505,0.458944969,0.228908814,0.228905825,0.046639885,2.029174688,1.177593581,3.351252838,0.376853712,0.504454524,1.141349124,1.141320841,0.320334133,0.43847381,0.438462944,0.343807812,0.34380504,0.172450677,2.603004098,2.033862645,5.054148573,0.315405132,0.860063529,1.413563919,1.413531947,0.519584448,0.422377935,0.422368381,0.527363002,0.527360989,0.453702066,3.346680315,3.467032805,7.851904033,0.267119474,1.508426057,1.228648316,1.22861885,0.384233641,0.432394146,0.432383777,0.398413377,0.39841079,0.248112841,2.841500806,2.453705189,5.875222229,0.297166885,1.044937008,1.458080728,1.458048153,0.552168968,0.420402397,0.420393005,0.561102108,0.56110027,0.512392141,3.468297849,3.736147786,8.378330308,0.261193102,1.634594519,1.41603164,1.415999592,0.519018798,0.422563563,0.422553999,0.529205895,0.529203855,0.452714751,3.35105003,3.474977671,7.86671241,0.267676343,1.511124501 +UMLKV0020,L,ISOPENTANE,CCC(C)C,C5H12,Paraffin (non-normal),Alkanes,78-78-4,2.271796133,PubChem,,0.3175,0,0.3362,0.11303044,23.0781,16.801516,0,0,17,5,12,0,5,0,0,0,0,0,0,0,0,0,733.513373,722.34154,780.930532,544.894898,169.670592,18.289152,0,0,0,2490.589442,3070.907003,3840.690913,3576.938553,2122.849263,559.5073998,0,0,0,118.324148,115.573648,211.228816,251.492168,246.65472,120.932352,0,0,0,19.27985486,24.51813172,33.41843801,34.07326687,24.03324144,8.003032287,0,0,0,2852.983605,2344.647997,4806.314708,5904.886795,6275.494221,3328.517736,0,0,0,28.02777778,32.66666667,47.33333333,57,48,18,0,0,0,43.14784547,45.14634625,26.03101773,15.13596939,4.713072,1.016064,0,0,0,146.5052613,191.9316877,128.0230304,99.35940425,58.96803508,31.08374443,0,0,0,6.960244,7.223353,7.040960533,6.985893556,6.85152,6.718464,0,0,0,1.134109109,1.532383233,1.113947934,0.946479635,0.66759004,0.444612905,0,0,0,167.822565,146.5404998,160.2104903,164.0246332,174.3192839,184.917652,0,0,0,1.64869281,2.041666667,1.577777778,1.583333333,1.333333333,1,0,0,0,0.024097139,-0.005577076,-0.002160584,-0.010416377,-0.003449456,0.009554923,0,0,0,427.2917965,-60.32354774,-56.13441248,-235.4294016,-50.26962311,188.5110867,0,0,0,794.5673416,-112.1742129,-104.384337,-437.7910254,-93.47851077,350.5444154,0,0,0,0.083703529,-0.011816969,-0.010996346,-0.046119003,-0.009847474,0.036928028,0,0,0,3.552085711,-0.501470924,-0.466646554,-1.957129578,-0.417892437,1.567096637,0,0,0,19.29498596,-2.723998018,-2.534831489,-10.63115893,-2.269998348,8.512493806,0,0,0,2.496732026,-1.31064975,0.476355248,-0.453863899,-0.875432526,0.915224913,0,0,0,0.001417479,-3.49E-04,-7.20E-05,-2.89E-04,-9.58E-05,5.31E-04,0,0,0,25.13481156,-3.770221734,-1.871147083,-6.5397056,-1.39637842,10.47283815,0,0,0,46.73925539,-7.010888308,-3.479477901,-12.16086182,-2.596625299,19.47468974,0,0,0,0.004923737,-7.39E-04,-3.67E-04,-0.001281083,-2.74E-04,0.002051557,0,0,0,0.208946218,-0.031341933,-0.015554885,-0.054364711,-0.011608123,0.087060924,0,0,0,1.134999174,-0.170249876,-0.084494383,-0.29530997,-0.06305551,0.472916323,0,0,0,0.14686659,-0.081915609,0.015878508,-0.012607331,-0.02431757,0.050845829,0,0,0,-0.245906484,-0.050808152,-0.204125661,-0.067597637,0.374488168,0,0,0,-0.15,-0.074444444,-0.260185185,-0.055555556,0.416666667,0,0,0,-0.15,-0.074444444,-0.260185185,-0.055555556,0.416666667,0,0,0,-0.15,-0.074444444,-0.260185185,-0.055555556,0.416666667,0,0,0,-0.15,-0.074444444,-0.260185185,-0.055555556,0.416666667,0,0,0,-0.15,-0.074444444,-0.260185185,-0.055555556,0.416666667,0,0,0,-0.557755236,0.108115183,-0.085842059,-0.165575916,0.346204188,0,0,0,1.792628993,1.085756573,1.240142883,0.836104827,1.79E-05,0,0,0,1.7,1.208888889,1.259259259,0.755555556,0,0,0,0,1.7,1.208888889,1.259259259,0.755555556,0,0,0,0,1.7,1.208888889,1.259259259,0.755555556,0,0,0,0,1.7,1.208888889,1.259259259,0.755555556,0,0,0,0,1.7,1.208888889,1.259259259,0.755555556,0,0,0,0,2.158376963,0.729842932,1.142233857,1.068062827,0,0,0,0,14.91858854,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,-1.78E-15,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,14.91858854,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,-1.78E-15,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,14.91858854,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,-1.78E-15,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,14.91858854,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,-1.78E-15,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,14.91858854,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,-1.78E-15,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,14.91858854,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,-1.78E-15,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19.04561848,9.44642035,14.67123205,18.95395181,3.790790362,9.446563727,-0.152777778,0.059659743,0.011931949,-1.409548904,10.93742667,2.187485334,1.196095273,0,11.89,12.11005553,-0.164834017,0.055802357,5.126992646,7.020913596,4,16,16,16,4,0,0,0,0,0,13.118484,3.436053414,2.757162924,2.333552793,1.74701597,0.987460973,0.083923071,0.083923071,0.083923071,1.879820889,1.479823839,1.249629723,0.850338063,0.382018208,0.083923071,0.083923071,0.083923071,3.466127007,2.81034045,2.405454588,1.837020921,1.110191623,0.270913902,0.270913902,0.270913902,1.815440778,1.383559899,1.134540686,0.717017599,0.224006118,0.270913902,0.270913902,0.270913902,3.598324271,3.03749745,2.704236987,2.205306933,1.593856555,0.943918427,0.943918427,0.943918427,1.624670542,1.081321637,0.76031856,0.273258628,0.319939306,0.943918427,0.943918427,0.943918427,3.488286403,2.849202999,2.457539916,1.901928269,1.197573369,0.399277246,0.399277246,0.399277246,1.774306747,1.320593226,1.058262671,0.627879323,0.117102762,0.399277246,0.399277246,0.399277246,3.662552056,3.143442614,2.838982085,2.367920828,1.798742767,1.207644823,1.207644823,1.207644823,1.564855323,0.981104075,0.631337262,0.116401873,0.520282299,1.207644823,1.207644823,1.207644823,3.474673436,2.94680938,2.60407788,1.975063151,1.262209987,0.566037736,0.566037736,0.566037736,1.773400793,1.209675239,0.905964672,0.524954837,0.018649614,0.566037736,0.566037736,0.566037736,0,0,0,0,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0.40824829,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,8.250966823,16.32702112,15.35294118,15.56,9.791326946,131.4268359,0.48535099,0.960413007,0.903114187,0.915294118,0.575960409,7.730990349,2.0524,25.129,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,6.643518519,0,1.305555556,0,0,0,0.884259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.199074074,0,1.305555556,0,0,0,0.884259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.222222222,0,1.305555556,0,0,0,0.884259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.833333333,1.766666667,0.2,2.222222222,0.2,0.884259259,3.875087963,0.449074074,0.222222222,1.287037037,0.449074074,0.222222222,1.287037037,2.5,0.5,0,0,0.41765,0.7,0.41765,0.41765,0.7,0,0,0,0,0.71429,0,0,0.6,0.2,0,2,0.4,2,0.4,0,0,-2,-0.4,0,0,4.43249,0.8865,4.43249,0,0,2.27005,0.45401,2.27005,0,0,0.14395,0.02879,0.14395,0.02879,0,4,0,0,0,0,0,0,1,0.873981048,1.277201811,2.173973135,2.660129753,2.179251771,0.971911945,14.85767782,21.71243079,36.95754329,45.22220579,37.04728011,16.52250306,0.213819937,0.312468116,0.531863706,0.650802186,0.533155127,0.237778784,3.213481793,2.81026103,1.913489707,1.427333089,1.90821107,3.115550896,0.218495262,0.319300453,0.543493284,0.665032438,0.544812943,0.242977986,6.588780814,11.42742997,14.11252476,14.60248557,8.831949795,0.979517187,19.83472123,15.09086009,14.02537168,14.16019229,11.2749244,4.506618548,5,2.25,4,5,0,4,2.01,0.8131,1.144714243,1.889881575,2.381101578,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,2.041,4,2,0,0,0,0,0,0,0,15,1.609437912,1.609437912,1.098612289,0,0,0,0,0,0,0,2.772588722,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,4,1,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,0,95.03638183,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,72.09390038,4.24081767,8.696801932,1.739360386,0,0,0,18,2,3.124,16,1.2155,2.091621178,2.863343203,3.446051891,4.115155856,0,0,0,0,0,65.03495578,62.3904171,47.82482086,17.40723262,4.181261719,0,0,0,0,0,257.0304509,291.4144008,298.7912011,211.9993937,127.9144529,0,0,0,0,0,8.812494779,14.78443243,20.04136918,23.65264872,27.64752647,0,0,0,0,0,1.991404788,2.477132363,2.801831114,2.370859153,1.829651399,0,0,0,0,0,176.0959978,330.9145584,466.8123526,597.3714165,760.9649585,0,0,0,0,0,2.537166667,3.434054757,4.644254449,4.699842646,4.115155856,0,0,0,0,0,0.414511875,0.525100859,0.603524994,0.525397321,0.42139196,0,0,0,0,0,320.2387707,92.8247418,7.655435269,145.9846401,-42.31525899,-8.564313563,174.2541307,135.1400008,16.21974883,0.686878358,0.199099272,0.016420101,0.313121642,-0.090761764,-0.018369549,149.302812,43.27706773,3.569143142,68.06145682,-19.72836437,-3.992883481,0.101360989,0.224051029,2.053958423,13.06347447,466.2234108,0,1,0,248.3262766,15.75837163,6.285515363,364.5707096,19.09373482,7.143766615,368.1829809,19.18809477,7.16728328,1.267790508,1.186876342,186.2243751,142.7019021,67.41636493,1.304988738,2.762302229,2.116724956,3.253688013,3.220194404,5.261228039,0.633823111,3.346806641,3.794134052,1.964803369,12.35254195,3.808060065,2.687906091,3.564863284,6.657112493,1.876965427,0.006683872,3.96E-24,4.53E-67,9.99E-132,4.25E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.28087429,3.793901362,0.117901153,4.327785163,0.525903081,0.084417762,0.252753718,0.321130085,0.013219621,4.71E-05,2.79E-26,3.19E-69,7.04E-134,2.99E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.906696446,3.793917383,0.411563119,5.412198172,0.755395065,0.365499692,0.747367955,1.193178975,0.137758643,4.91E-04,2.91E-25,3.32E-68,7.33E-133,3.12E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.15911246,3.794108671,1.822257892,11.66542288,3.451306405,2.439958441,3.297904502,6.120200287,1.672342403,0.00595521,3.53E-24,4.04E-67,8.90E-132,3.79E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336303737,3.793937727,0.637895299,6.320992253,1.043717658,0.632786399,1.14078374,1.916894072,0.299230181,0.001065558,6.32E-25,7.22E-68,1.59E-132,6.77E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041753714,3.794240666,2.526056809,15.11900666,5.305882881,3.706502362,4.62617874,8.814266718,2.737377675,0.0097478,5.78E-24,6.61E-67,1.46E-131,6.20E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.995692817,3.140274202,0.849191287,7.83540372,1.714739551,1.133643829,1.897012397,3.275844955,0.601377317,0.002141504,1.27E-24,1.45E-67,3.20E-132,1.36E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.427091101,1.2510663,0.545210867,0.574681379,0.296224772,0.510803151,0.477090672,0.439916155,4.223368268,5.04182327,10.9206981,0.362022069,1.427809978,1.813650618,0.770195756,0.165976982,0.659551682,0.280089175,0.286860091,0.182553256,0.041462335,2.749823355,1.82572503,4.807395989,0.489327522,0.510875682,2.071390371,0.972615682,0.325537748,0.614739114,0.288649069,0.37311756,0.28991478,0.158335578,3.369543801,3.005605633,7.030999513,0.422108671,0.821367918,2.413252771,1.240250647,0.536674805,0.575930818,0.295989951,0.505041298,0.468972534,0.426401201,4.190178222,4.953781543,10.75024802,0.363896227,1.400415033,2.180053477,1.057782551,0.392706367,0.600475973,0.291356617,0.41288187,0.342330833,0.229729107,3.630542395,3.577541353,8.113673477,0.400713959,0.98494181,2.470014698,1.284605968,0.571683099,0.570929558,0.296929212,0.528884293,0.502699171,0.483140561,4.326303765,5.319448801,11.45970054,0.356394337,1.514724026,2.420268576,1.24243583,0.536632147,0.576345464,0.295864791,0.507908162,0.470517398,0.426001837,4.199336553,4.972553327,10.78555798,0.364518197,1.404427398 +UMLKV0021,L,2-METHYLPENTANE,CCCC(C)C,C6H14,Paraffin (non-normal),Alkanes,107-83-5,2.457807555,PubChem,,0.3914,0,0.5918,0.35022724,27.5299,19.895102,0,0,20,6,14,0,6,0,0,0,0,0,0,0,0,0,879.809622,890.819837,974.639069,741.651627,487.49333,160.526016,18.289152,0,0,2976.273833,3723.897138,4754.238025,4583.736898,3354.775021,1843.095563,559.5073998,0,0,139.301592,137.349428,253.958324,314.377068,309.563336,186.188544,120.932352,0,0,22.95798067,29.53412034,41.10612815,43.09479573,34.06119458,20.03172529,8.003032287,0,0,3349.613265,2777.687448,5730.516907,7383.84195,7759.916289,4611.235353,3328.517736,0,0,32.27777778,37.91666667,56.66666667,68.33333333,60,39,18,0,0,43.9904811,46.88525458,27.07330747,16.48114727,10.83318511,5.945408,1.016064,0,0,148.8136916,195.9945862,132.0621674,101.86082,74.55055603,68.26279863,31.08374443,0,0,6.9650796,7.228917263,7.054397889,6.986157067,6.879185244,6.895872,6.718464,0,0,1.147899033,1.554427386,1.141836893,0.957662127,0.756915435,0.741915752,0.444612905,0,0,167.4806632,146.1940762,159.1810252,164.0853767,172.4425842,170.7864946,184.917652,0,0,1.613888889,1.995614035,1.574074074,1.518518519,1.333333333,1.444444444,1,0,0,0.028295987,-0.005572289,-0.004579185,-0.011415774,0.006231682,-0.00836461,0.009552182,0,0,508.4772378,-59.32234441,-92.01016684,-236.0787175,78.69290585,-141.6472305,196.1269346,0,0,945.5351364,-110.3124326,-171.0968342,-438.9984562,146.3328187,-263.3990737,364.7064098,0,0,0.0996072,-0.01162084,-0.01802416,-0.0462462,0.0154154,-0.02774772,0.03841992,0,0,4.226981996,-0.4931479,-0.764882456,-1.962527355,0.654175785,-1.177516413,1.630407341,0,0,22.96103329,-2.678787217,-4.154853643,-10.66047974,3.553493247,-6.396287845,8.856398555,0,0,2.672222222,-1.280277778,0.456666667,-1.320833333,1.295833333,-1.3325,0.845,0,0,0.001414799,-2.93E-04,-1.27E-04,-2.54E-04,1.38E-04,-3.10E-04,5.31E-04,0,0,25.42386189,-3.122228653,-2.555837968,-5.246193723,1.748731241,-5.246193723,10.89594081,0,0,47.27675682,-5.805917504,-4.752689839,-9.755521249,3.251840416,-9.755521249,20.26146721,0,0,0.00498036,-6.12E-04,-5.01E-04,-0.001027693,3.43E-04,-0.001027693,0.00213444,0,0,0.2113491,-0.025955153,-0.021246735,-0.043611719,0.01453724,-0.043611719,0.090578186,0,0,1.148051665,-0.140988801,-0.115412601,-0.23689955,0.078966517,-0.23689955,0.492022142,0,0,0.133611111,-0.067383041,0.012685185,-0.029351852,0.028796296,-0.049351852,0.046944444,0,0,-0.207293275,-0.08990645,-0.179307308,0.097880896,-0.218971228,0.375089785,0,0,-0.122807018,-0.100529101,-0.206349206,0.068783069,-0.206349206,0.428571429,0,0,-0.122807018,-0.100529101,-0.206349206,0.068783069,-0.206349206,0.428571429,0,0,-0.122807018,-0.100529101,-0.206349206,0.068783069,-0.206349206,0.428571429,0,0,-0.122807018,-0.100529101,-0.206349206,0.068783069,-0.206349206,0.428571429,0,0,-0.122807018,-0.100529101,-0.206349206,0.068783069,-0.206349206,0.428571429,0,0,-0.504322136,0.094941095,-0.21968122,0.215523216,-0.369369369,0.351351351,0,0,1.749359878,1.154757971,1.194785797,0.68709533,1.129847428,1.91E-05,0,0,1.666666667,1.256613757,1.206349206,0.703703704,1.005291005,0,0,0,1.666666667,1.256613757,1.206349206,0.703703704,1.005291005,0,0,0,1.666666667,1.256613757,1.206349206,0.703703704,1.005291005,0,0,0,1.666666667,1.256613757,1.206349206,0.703703704,1.005291005,0,0,0,1.666666667,1.256613757,1.206349206,0.703703704,1.005291005,0,0,0,2.11018711,0.757103257,1.237699238,0.53984754,1.58004158,0,0,0,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,27.62178083,13.72524227,21.8568937,27.5075833,4.584597216,13.72524459,-0.171296296,0.063579364,0.010596561,-1.653279794,17.67646965,2.946078274,1.723340614,0,11.89,12.11007471,-0.16472489,0.055946927,5.126994186,7.334600783,5,19,19,19,5,0,0,0,0,0,15.304898,3.473871363,2.995201137,2.333552793,2.214028496,1.445561172,0.972879173,0.083923071,0.083923071,1.901370199,1.610278754,1.249629723,1.12150557,0.669641221,0.379130244,0.083923071,0.083923071,3.502794884,3.038827881,2.405454588,2.283862734,1.54799348,1.097514108,0.270913902,0.270913902,1.839153023,1.525402757,1.134540686,1.006098022,0.525229691,0.220540086,0.270913902,0.270913902,3.629932889,3.227855553,2.704236987,2.577311006,1.962425044,1.586624852,0.943918427,0.943918427,1.655283249,1.264875661,0.76031856,0.632864871,0.038010704,0.326477276,0.943918427,0.943918427,3.524104373,3.070848611,2.457539916,2.334662184,1.621603013,1.186107579,0.399277246,0.399277246,1.799449735,1.470373296,1.058262671,0.929737572,0.428200161,0.113178768,0.399277246,0.399277246,3.691746928,3.317676688,2.838982085,2.710985541,2.142855573,1.79305263,1.207644823,1.207644823,1.597738071,1.180490847,0.631337262,0.50529439,0.136884521,0.528545542,1.207644823,1.207644823,3.511109125,3.147375139,2.627181624,2.422748981,1.697709915,1.269682936,0.580645161,0.580645161,1.799116918,1.379057509,0.88524614,0.813837494,0.317232616,0.002553925,0.580645161,0.580645161,0,0,0,0,0,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.288675135,0,0.288675135,0.288675135,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,9.792794627,19.21485798,18.07843137,18.32,11.58988144,154.455091,0.489639731,0.960742899,0.903921569,0.916,0.579494072,7.722754551,2.4425,29.746,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,6.729166667,0,2.706018519,0,0,0,0.898148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.222222222,0,1.331018519,0,0,0,0.898148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.253472222,0,1.375,0,0,0,0.898148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.33333333,1.722222222,0.2,2.253472222,0.2,0.898148148,4.593013889,0.435185185,0.253472222,1.458333333,0.435185185,0.253472222,1.458333333,3,0.5,0,0,0.42,0.7,0.42,0.42,0.7,0,0,0,0,0.71429,0,0,0.5,0.16667,0,2.5,0.41667,2.5,0.41667,0,0,-2.5,-0.41667,0,0,5.69868,0.94978,5.69868,0,0,2.77005,0.46167,2.77005,0,0,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,1,0.881290899,1.319035274,2.395461844,2.90869497,2.63034294,2.028212946,17.62581798,26.38070549,47.90923688,58.17389939,52.6068588,40.56425892,0.203911514,0.305196025,0.554257681,0.673008645,0.608604049,0.469284287,3.440637196,3.002892821,1.926466251,1.413233125,1.691585155,2.293715149,0.207463733,0.310512661,0.56391307,0.684732722,0.619206173,0.477459406,6.616095946,11.86902845,15.56720586,14.98523755,13.42855542,8.070974753,23.80204551,17.71551634,15.91187884,16.46882451,14.18890078,10.52154675,6,3.2,5.333333333,6,0,5,2.12,0.954,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,2.54,5,3,2,0,0,0,0,0,0,21,1.791759469,1.791759469,1.386294361,1.098612289,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,112.3323665,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,86.10955045,4.305477522,10.67917749,1.779862916,0,0,0,32,3,3.693,20,1.220894737,2.103173734,2.866227449,3.481606509,4.458488244,5.352201744,0,0,0,0,67.74862772,64.92246437,53.73170424,46.30289634,29.20798765,5.438179512,0,0,0,0,263.8372191,301.2768942,310.6084069,288.867083,324.7167879,166.3664711,0,0,0,0,8.859366903,14.89288075,20.06662049,24.03635565,30.84235415,35.95857474,0,0,0,0,2.030985313,2.547295132,2.859045839,2.828771283,3.470694886,2.379657965,0,0,0,0,176.3944505,330.6965185,467.2285651,593.9267762,753.7080676,989.7165796,0,0,0,0,2.492653509,3.434273209,4.446910857,4.851021523,6.683519787,5.352201744,0,0,0,0,0.422269342,0.539354181,0.61427093,0.615416415,0.762713537,0.548065459,0,0,0,0,357.6913985,122.5615197,8.611633058,141.5189316,-48.49089298,-8.604111353,216.1724669,171.0524127,17.21574441,0.716514417,0.245510784,0.017250511,0.283485583,-0.097135195,-0.017235443,178.5632411,61.18397672,4.299016181,70.64771253,-24.20715469,-4.295261268,0.08576595,0.190164208,1.485600379,12.37944435,499.21033,0,1,0,310.4078457,17.6183951,6.770866172,446.0263509,21.11933595,7.640471717,476.928456,21.83869172,7.812998576,1.463026135,1.205835205,323.3377633,278.6229185,74.98855203,1.160485164,4.311828333,3.715539385,3.714259789,3.220218461,6.42424645,0.994972244,3.904607748,4.742676419,2.30750979,14.59537325,5.371323117,3.184223797,4.445472319,8.803563869,2.930492366,5.567213732,0.884220332,1.126710553,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,4.742376741,0.1403447,5.318846764,0.537063159,0.090119943,0.321566196,0.420332872,0.999042645,0.076317739,0.006228704,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,4.742397317,0.488176359,6.485060806,0.870514822,0.407570523,0.873592172,1.52653453,1.210010517,0.50393807,0.064899514,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,4.742643712,2.141394874,13.77016824,4.844248848,2.883679025,4.090505371,8.076321457,2.74741123,4.985837849,0.787825132,1.003878818,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,4.742423496,0.755020674,7.501587376,1.293404312,0.718759713,1.338573823,2.465542683,1.409253625,1.003308067,0.140967789,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,4.742813825,2.960530141,17.94288387,7.585266227,4.423180983,5.876141169,11.73922679,3.681979415,7.998223977,1.289548769,1.643201451,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.382118359,4.023965691,1.05304845,9.292171182,2.165270721,1.36795853,2.00598993,3.755213295,2.153185928,2.03970989,0.298118512,0.379869115,2.71E-15,3.72E-51,9.85E-109,5.04E-188,4.96E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.784053,1.195212013,0.567671482,0.682187907,0.215472453,0.538948546,0.48479583,0.436924265,5.546936495,7.349332354,15.46370255,0.523281861,1.460668642,3.059953094,0.695064126,0.176669504,0.778279988,0.176785226,0.3523128,0.163802889,0.042274796,3.931686723,2.790260649,7.097699312,0.667419981,0.558390485,3.361802645,0.903567819,0.339682601,0.730024735,0.196212249,0.425303854,0.276926578,0.156365311,4.605053064,4.486488816,10.12336742,0.595037103,0.858595742,3.767499191,1.183779004,0.558734364,0.6837551,0.214841435,0.534239732,0.475556057,0.423268722,5.510012559,7.226335713,15.22824009,0.525632651,1.433064511,3.490086016,0.992175046,0.408952949,0.713541875,0.202848422,0.458406686,0.333956694,0.22668288,4.891214011,5.295810132,11.6031367,0.570312812,1.01904626,3.83546565,1.230720263,0.595427855,0.677450954,0.217379764,0.553705058,0.514060201,0.48071748,5.661613768,7.736933505,16.20919616,0.516176431,1.548482739,3.779791872,1.187105812,0.559071711,0.684005213,0.214823088,0.537745022,0.47831075,0.423714629,5.525969396,7.263864888,15.29839626,0.526007819,1.4397704 +UMLKV0022,L,3-METHYLPENTANE,CCC(C)CC,C6H14,Paraffin (non-normal),Alkanes,96-14-0,2.457522674,PubChem,,0.3925,0,-0.34,0.1156,26.1559,19.895102,0,0,20,6,14,0,6,0,0,0,0,0,0,0,0,0,879.809622,890.819837,974.639069,862.717636,432.973465,103.124448,9.144576,0,0,2976.273833,3723.897138,4754.238025,4808.864311,3631.564839,1620.932031,279.7536999,0,0,139.301592,137.349428,253.958324,314.400784,311.934628,244.259712,60.466176,0,0,22.95798067,29.53412034,41.10612815,44.10122001,37.06835873,20.01965301,4.001516144,0,0,3349.613265,2777.687448,5730.516907,7389.308863,7563.67875,6466.264847,1664.258868,0,0,32.27777778,38,55.91666667,68,67,42,9,0,0,43.9904811,46.88525458,27.07330747,19.17150302,9.621632556,2.864568,1.016064,0,0,148.8136916,195.9945862,132.0621674,106.8636514,80.70144088,45.02588975,31.08374443,0,0,6.9650796,7.228917263,7.054397889,6.986684089,6.931880622,6.784992,6.718464,0,0,1.147899033,1.554427386,1.141836893,0.980027111,0.823741305,0.556101472,0.444612905,0,0,167.4806632,146.1940762,159.1810252,164.2068636,168.08175,179.618468,184.917652,0,0,1.613888889,2,1.553240741,1.511111111,1.488888889,1.166666667,1,0,0,0.028302395,-0.005876358,-0.005542894,-0.002011666,-0.013336366,0.007886446,0.00472964,0,0,508.4772378,-59.32234441,-92.01016684,-115.0127085,-260.2919194,174.335053,98.06346729,0,0,945.5351364,-110.3124326,-171.0968342,-213.8710428,-484.0239389,324.1834754,182.3532049,0,0,0.0996072,-0.01162084,-0.01802416,-0.0225302,-0.0509894,0.03415104,0.01920996,0,0,4.226981996,-0.4931479,-0.764882456,-0.956103071,-2.163812212,1.44925097,0.815203671,0,0,22.96103329,-2.678787217,-4.154853643,-5.193567054,-11.75386228,7.872354271,4.428199278,0,0,2.672222222,-1.196944444,-0.293333333,0.779166667,-1.4375,0.39,0.4225,0,0,0.00141512,-3.09E-04,-1.54E-04,-4.47E-05,-2.96E-04,2.19E-04,5.26E-04,0,0,25.42386189,-3.122228653,-2.555837968,-2.555837968,-5.784264874,4.84264036,10.89594081,0,0,47.27675682,-5.805917504,-4.752689839,-4.752689839,-10.75608753,9.005096538,20.26146721,0,0,0.00498036,-6.12E-04,-5.01E-04,-5.01E-04,-0.001133098,9.49E-04,0.00213444,0,0,0.2113491,-0.025955153,-0.021246735,-0.021246735,-0.048084716,0.040256971,0.090578186,0,0,1.148051665,-0.140988801,-0.115412601,-0.115412601,-0.26119694,0.218676508,0.492022142,0,0,0.133611111,-0.062997076,-0.008148148,0.017314815,-0.031944444,0.010833333,0.046944444,0,0,-0.218555365,-0.108802996,-0.031590041,-0.209426572,0.154805238,0.371357645,0,0,-0.122807018,-0.100529101,-0.100529101,-0.227513228,0.19047619,0.428571429,0,0,-0.122807018,-0.100529101,-0.100529101,-0.227513228,0.19047619,0.428571429,0,0,-0.122807018,-0.100529101,-0.100529101,-0.227513228,0.19047619,0.428571429,0,0,-0.122807018,-0.100529101,-0.100529101,-0.227513228,0.19047619,0.428571429,0,0,-0.122807018,-0.100529101,-0.100529101,-0.227513228,0.19047619,0.428571429,0,0,-0.471495787,-0.060984061,0.12959113,-0.239085239,0.081081081,0.351351351,0,0,1.761041552,1.160403025,1.021013286,1.182765148,0.433213113,0,0,0,1.666666667,1.256613757,1.105820106,1.105820106,0.376984127,0,0,0,1.666666667,1.256613757,1.105820106,1.105820106,0.376984127,0,0,0,1.666666667,1.256613757,1.105820106,1.105820106,0.376984127,0,0,0,1.666666667,1.256613757,1.105820106,1.105820106,0.376984127,0,0,0,1.666666667,1.256613757,1.105820106,1.105820106,0.376984127,0,0,0,2.079002079,0.905232155,0.763686764,1.382536383,0.592515593,0,0,0,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,27.13010824,13.47940597,20.52288097,27.01591071,4.502651784,13.47940898,-0.171296296,1.11E-16,1.85E-17,-22.04208034,3000004.079,500000.6798,8.948474524,0,11.89,12.11007471,-0.169151346,0.051247007,5.275584961,7.642003616,5,19,19,19,5,0,0,0,0,0,15.304898,3.486065375,2.902564078,2.602098481,1.907478409,1.598026915,0.940486379,0.083923071,0.083923071,1.905678496,1.563026335,1.389675774,0.941666099,0.769718516,0.363415993,0.083923071,0.083923071,3.514277282,2.950308951,2.661111007,1.990406516,1.695309721,1.066897176,0.270913902,0.270913902,1.844273097,1.473453684,1.286630053,0.814742336,0.630337185,0.203390889,0.270913902,0.270913902,3.638598169,3.155598408,2.911455076,2.332376476,2.090117344,1.562551549,0.943918427,0.943918427,1.663447912,1.195492746,0.959389692,0.395958779,0.162386152,0.34948882,0.943918427,0.943918427,3.535079059,2.985267979,2.704149439,2.050359443,1.765276817,1.15673493,0.399277246,0.399277246,1.805143103,1.415133181,1.218928543,0.730150495,0.536857124,0.094991748,0.399277246,0.399277246,3.699226781,3.252217518,3.027125582,2.484784209,2.26277616,1.771444199,1.207644823,1.207644823,1.607068379,1.104407163,0.849593123,0.249417906,0.004703131,0.554077929,1.207644823,1.207644823,3.51547682,3.076003138,2.8440656,2.151382767,1.849830724,1.241348526,0.580645161,0.580645161,1.810447978,1.311901715,1.069691066,0.603837508,0.42038376,0.02202542,0.580645161,0.580645161,0,0,0,0,0,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.577350269,0.288675135,0,0.577350269,0.288675135,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,9.792794627,19.21485798,18.07843137,18.32,11.58988144,154.455091,0.489639731,0.960742899,0.903921569,0.916,0.579494072,7.722754551,2.4425,29.746,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,6.738425926,0,2.659722222,0,0,0,0.935185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.230324074,0,1.329861111,0,0,0,0.935185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.277777778,0,1.329861111,0,0,0,0.935185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.33333333,1.722222222,0.2,2.277777778,0.2,0.935185185,4.590439815,0.398148148,0.277777778,1.476851852,0.398148148,0.277777778,1.476851852,3,0.5,0,0,0.42,0.7,0.42,0.42,0.7,0,0,0,0,0.71429,0,0,0.5,0.16667,0,2.5,0.41667,2.5,0.41667,0,0,-2.5,-0.41667,0,0,5.73058,0.9551,5.73058,0,0,2.80805,0.46801,2.80805,0,0,0.10595,0.01766,0.10595,0.01766,0,5,0,0,0,0,0,0,1,0.881290899,1.319035274,2.295461844,2.70869497,2.492598565,1.728212946,17.62581798,26.38070549,45.90923688,54.17389939,49.8519713,34.56425892,0.203911514,0.305196025,0.53111986,0.626733002,0.576733002,0.399870823,3.440637196,3.002892821,2.026466251,1.613233125,1.82932953,2.593715149,0.207463733,0.310512661,0.540372178,0.637650939,0.58677992,0.406836732,6.616095946,11.86902845,14.36720586,14.78367255,12.19051569,5.393257752,23.80204551,17.71551634,17.30503569,16.99759575,15.70101732,10.20202878,6,3.2,3,6,0,5,2.12,0.954,0.908560296,3.301927249,1.889881575,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,2.54,5,4,1,0,0,0,0,0,0,21,1.791759469,1.791759469,1.609437912,0.693147181,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,0,112.3323665,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,86.10955045,4.305477522,10.6758508,1.779308466,0,0,0,31,4,3.693,20,1.220894737,2.103173734,2.865487861,3.505459879,4.175001234,5.71185753,0,0,0,0,67.74862772,64.92246437,61.68420186,39.37951263,14.13966644,5.803612809,0,0,0,0,263.8372191,301.2768942,325.9848541,303.0664721,204.4262542,177.5459197,0,0,0,0,8.859366903,14.89288075,20.06705195,24.36139425,28.40581187,38.37490919,0,0,0,0,2.030985313,2.547295132,2.930414499,3.022981823,2.453211893,2.539565568,0,0,0,0,176.3944505,330.6965185,467.1383628,584.5081841,743.6575655,1056.223283,0,0,0,0,2.499333333,3.376314166,4.439815548,5.353172263,5.067398364,5.71185753,0,0,0,0,0.422269342,0.539354181,0.627509756,0.657744497,0.550313972,0.584894211,0,0,0,0,348.2452839,119.178022,8.411708706,145.4814617,-49.7873012,-8.519307768,202.7638222,168.9653232,16.93101647,0.705340124,0.241384578,0.017037174,0.294659876,-0.10083979,-0.017255107,171.9380106,58.84137694,4.153085563,71.82808859,-24.58132219,-4.206210098,0.086550298,0.18974905,1.614066694,11.06347011,493.7267455,0,1,0,310.4078457,17.6183951,6.770866172,446.0263509,21.11933595,7.640471717,486.0997239,22.04766935,7.862761904,1.600376192,1.20582466,297.9980032,257.2067684,72.90961007,1.158593163,4.087225305,3.527748511,3.598661447,3.220194404,6.42424645,0.994987148,3.904607748,4.742643365,2.180766641,19.83544936,6.276698098,5.017174461,5.31761643,8.391284527,2.81392746,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,4.742376508,0.139452035,5.476519534,1.035145025,0.16594251,0.46275533,0.333437286,0.949016922,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,4.742394891,0.478874121,7.179925155,1.393915343,0.703734255,1.284689051,1.32069706,1.0750388,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,4.742614261,2.028469008,18.52213658,5.704235347,4.56012436,4.960602108,7.665380581,2.609673611,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,4.742418226,0.734814978,8.713747116,1.851352821,1.207252641,1.899114317,2.193650838,1.237158573,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,4.742765618,2.77568718,25.19113572,8.681918633,6.891162689,6.707381819,11.34308938,3.672472691,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.382118359,4.050602643,1.030788426,11.15558879,3.130429896,2.263552644,3.019410176,3.4308531,1.898104156,1.609735553,0.054807146,0.379869114,2.71E-15,3.72E-51,9.85E-109,5.04E-188,4.96E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.530987441,1.130475171,0.585893788,0.672907874,0.215437086,0.502955739,0.441794109,0.476528345,5.247356401,6.722815623,14.30888053,0.509361811,1.421278192,2.800335673,0.662709071,0.186421833,0.767327393,0.181590667,0.316342548,0.151864066,0.048341475,3.649466577,2.501395002,6.496824681,0.650991089,0.516548089,3.104930242,0.85771042,0.35295523,0.719467327,0.198746695,0.388902842,0.254354483,0.173130621,4.315595892,4.06176577,9.317327685,0.579200991,0.816387946,3.514285046,1.119782124,0.576762135,0.674419529,0.214895184,0.498208796,0.433478008,0.461808737,5.210829306,6.607988051,14.08851108,0.511629294,1.393495541,3.234374,0.940580857,0.423726457,0.703326406,0.204532733,0.422005291,0.305865677,0.24943162,4.598681315,4.811229101,10.69896692,0.554989609,0.977302588,3.582861247,1.16368535,0.61425458,0.668344363,0.217073029,0.517842155,0.468125647,0.523712993,5.360801177,7.084911129,15.00673814,0.502516544,1.509680795,3.525773615,1.121449447,0.57737462,0.674841171,0.214648001,0.501471515,0.434727232,0.46240831,5.224597682,6.63716552,14.14468909,0.512261756,1.398607057 +UMLKV0023,L,"2,2-DIMETHYLBUTANE",CCC(C)(C)C,C6H14,Paraffin (non-normal),Alkanes,75-83-2,2.439385285,PubChem,,0.4719,0,1.8631,3.47114161,29.4773,19.895102,0,0,20,6,14,0,6,0,0,0,0,0,0,0,0,0,879.809622,890.819837,1216.771087,874.743915,263.650464,27.433728,0,0,0,2976.273833,3723.897138,5204.492852,5587.571361,3464.027594,839.2610996,0,0,0,139.301592,137.349428,254.005756,319.167084,430.448256,181.398528,0,0,0,22.95798067,29.53412034,43.11897672,51.12197259,40.0513783,12.00454843,0,0,0,3349.613265,2777.687448,5741.450732,7002.300698,11077.5002,4992.776605,0,0,0,33.8125,39.375,58.75,83.25,81,27,0,0,0,43.9904811,46.88525458,33.79919686,19.43875367,4.184928,1.016064,0,0,0,148.8136916,195.9945862,144.5692459,124.1682525,54.98456499,31.08374443,0,0,0,6.9650796,7.228917263,7.055715444,7.092601867,6.832512,6.718464,0,0,0,1.147899033,1.554427386,1.197749353,1.136043835,0.635736163,0.444612905,0,0,0,167.4806632,146.1940762,159.4847426,155.6066822,175.8333365,184.917652,0,0,0,1.690625,2.072368421,1.631944444,1.85,1.285714286,1,0,0,0,0.027048336,-0.007822236,0.012698697,-0.033070684,8.65E-05,0.0145836,0,0,0,508.4772378,-59.32234441,150.1218512,-671.9163499,32.68782243,294.1904019,0,0,0,945.5351364,-110.3124326,279.1579927,-1249.457145,60.78440163,547.0596147,0,0,0,0.0996072,-0.01162084,0.02940784,-0.1316238,0.00640332,0.05762988,0,0,0,4.226981996,-0.4931479,1.247966113,-5.585654781,0.271734557,2.445611012,0,0,0,22.96103329,-2.678787217,6.778971734,-30.34136542,1.476066426,13.28459783,0,0,0,3.184375,-2.06578125,2.505625,-2.83359375,-0.72140625,1.52296875,0,0,0,0.001352417,-4.12E-04,3.53E-04,-7.35E-04,1.37E-06,5.40E-04,0,0,0,25.42386189,-3.122228653,4.170051421,-14.93147444,0.518854324,10.89594081,0,0,0,47.27675682,-5.805917504,7.754388685,-27.76571432,0.964831772,20.26146721,0,0,0,0.00498036,-6.12E-04,8.17E-04,-0.002924973,1.02E-04,0.00213444,0,0,0,0.2113491,-0.025955153,0.034665725,-0.124125662,0.004313247,0.090578186,0,0,0,1.148051665,-0.140988801,0.18830477,-0.674252565,0.023429626,0.492022142,0,0,0,0.15921875,-0.108725329,0.069600694,-0.06296875,-0.011450893,0.05640625,0,0,0,-0.304415507,0.26082313,-0.543400581,0.001014699,0.39938378,0,0,0,-0.122807018,0.164021164,-0.587301587,0.020408163,0.428571429,0,0,0,-0.122807018,0.164021164,-0.587301587,0.020408163,0.428571429,0,0,0,-0.122807018,0.164021164,-0.587301587,0.020408163,0.428571429,0,0,0,-0.122807018,0.164021164,-0.587301587,0.020408163,0.428571429,0,0,0,-0.122807018,0.164021164,-0.587301587,0.020408163,0.428571429,0,0,0,-0.68286762,0.437138807,-0.39548577,-0.071919249,0.354268891,0,0,0,1.846346304,0.746388332,1.811746608,0.738389048,8.64E-05,0,0,0,1.666666667,1.005291005,1.80952381,0.646258503,0,0,0,0,1.666666667,1.005291005,1.80952381,0.646258503,0,0,0,0,1.666666667,1.005291005,1.80952381,0.646258503,0,0,0,0,1.666666667,1.005291005,1.80952381,0.646258503,0,0,0,0,1.666666667,1.005291005,1.80952381,0.646258503,0,0,0,0,2.276741904,0.393632101,1.752698724,0.852376279,0,0,0,0,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,26.56077704,13.17483296,19.33341161,26.4200363,4.403339383,13.17483643,-0.211111111,0.108656501,0.018109417,-1.331738243,15.87117691,2.645196152,1.658702815,0,11.89,12.11007471,-0.159565128,0.061612327,5.441369373,8.276237026,5,19,19,19,5,0,0,0,0,0,15.304898,3.536230485,2.795885565,2.333552793,2.333552793,1.693926432,0.465682028,0.083923071,0.083923071,1.921652917,1.500448501,1.249629723,1.249629723,0.81785388,0.083923071,0.083923071,0.083923071,3.56118879,2.847396164,2.405454588,2.405454588,1.785944101,0.570324438,0.270913902,0.270913902,1.863549726,1.406028797,1.134540686,1.134540686,0.682533265,0.270913902,0.270913902,0.270913902,3.672933425,3.068012018,2.704236987,2.704236987,2.161906112,0.966354631,0.943918427,0.943918427,1.695601312,1.110688948,0.76031856,0.76031856,0.231160645,0.943918427,0.943918427,0.943918427,3.579687853,2.885071364,2.457539916,2.457539916,1.852274019,0.643930482,0.399277246,0.399277246,1.826788205,1.34435721,1.058262671,1.058262671,0.591986566,0.399277246,0.399277246,0.399277246,3.728423245,3.171248505,2.838982085,2.838982085,2.327576178,1.207644823,1.207644823,1.207644823,1.644327546,1.013150497,0.631337262,0.631337262,0.071241004,1.124405589,1.207644823,1.207644823,3.546835522,2.964324052,2.591598066,2.591598066,1.911717882,0.614226055,0.558139535,0.558139535,1.844600938,1.249661423,0.917179462,0.917179462,0.500980685,0.558139535,0.558139535,0.558139535,0,0,0,0,0,4,1,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.560660172,0.353553391,0,0,1.060660172,0.353553391,0,1.060660172,0.353553391,0,5.207106781,2.560660172,2.914213562,1.060660172,0,0,0,0,0.86785113,0.512132034,0.416316223,0.353553391,0,0,0,0,5.207106781,2.560660172,2.914213562,1.060660172,0,0,0,0,0.86785113,0.512132034,0.416316223,0.353553391,0,0,0,0,9.792794627,19.21485798,18.07843137,18.32,11.58988144,154.455091,0.489639731,0.960742899,0.903921569,0.916,0.579494072,7.722754551,2.4425,29.746,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,4,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,8.9375,0,1.270833333,0,0,0,0,0,0,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.208333333,0,1.270833333,0,0,0,0,0,0,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.243055556,0,1.270833333,0,0,0,0,0,0,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.75,1.791666667,0.2,2.243055556,0,0.541666667,4.60625,0.708333333,0.243055556,1.875,0.708333333,0.243055556,1.875,3,0.5,0,0,0.42,0.7,0.42,0.42,0.7,0,0,0,0,0.71429,0,0,0.66667,0,0.16667,2.5,0.41667,2.5,0.41667,0,0,-2.5,-0.41667,0,0,6.37132,1.06189,6.37132,0,0,2.56066,0.42678,2.56066,0,0,0.35334,0.05889,0.35334,0.05889,0,5,0,0,0,0,0,0,1,0.881290899,1.256779649,1.833206219,2.319973094,1.887780285,0.928946231,17.62581798,25.13559299,36.66412439,46.39946188,37.75560569,18.57892462,0.203911514,0.29079143,0.424163979,0.536791229,0.436791229,0.214937919,3.440637196,3.065148445,2.488721876,2.001955001,2.43414781,3.392981864,0.207463733,0.295857132,0.431553084,0.546142345,0.444400305,0.218682223,6.616095946,11.12196095,13.48644029,13.97701613,8.79070242,0.936215265,23.80204551,18.78122881,17.25008029,17.84117505,15.2480182,5.897247046,6,1.632653061,5.333333333,6,0,4,2.12,0.954,2.449489743,2.37841423,0,3.363585661,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,2.356,7,3,0,0,0,0,0,0,0,21,1.791759469,2.079441542,1.386294361,0,0,0,0,0,0,0,3.091042453,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,5,1,0,2,3,0.5,3,0.666666667,0,0,0,0,0,0,0,0,0.6,0.095238095,0,0,0,0,0,0,0,0,0.695238095,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,0,112.3323665,3.584962501,3.218875825,3.80666249,4.634728988,5.252273428,6.084499413,6.708084084,7.5416831,8.166500319,9.000483165,65.41379081,2.397895273,0,3.663561646,0,5.081404365,0,6.532334292,0,7.989899375,8.256088134,86.10955045,4.305477522,10.46599026,1.74433171,0,0,0,28,3,3.73,24,1.220894737,2.101556087,2.934917348,3.419631249,3.913067792,0,0,0,0,0,67.74862772,82.03263662,59.95978494,14.84026213,3.975927313,0,0,0,0,0,263.8372191,335.2297699,373.2035547,192.0195147,121.6327992,0,0,0,0,0,8.859366903,14.89911472,20.8380043,23.38372301,26.28980509,0,0,0,0,0,2.030985313,2.708801968,3.389222297,2.205909959,1.739800438,0,0,0,0,0,176.3944505,330.0515217,455.0966696,599.7676578,723.5953084,0,0,0,0,0,2.573585526,3.615967564,5.499790533,4.444396674,3.913067792,0,0,0,0,0,0.422269342,0.569501942,0.724531065,0.491177962,0.400698142,0,0,0,0,0,325.8798931,108.8222762,7.732559734,125.1027355,-41.7760185,-7.344627997,200.7771575,150.5982947,15.07718773,0.722599658,0.241300372,0.017146026,0.277400342,-0.092633321,-0.016285833,146.9661708,49.07695619,3.487250114,56.4191605,-18.84025864,-3.31229964,0.080166546,0.194049974,1.603197168,9.739765541,450.9826286,0,1,0,310.4078457,17.6183951,6.770866172,446.0263509,21.11933595,7.640471717,517.0378379,22.73846604,8.026153148,1.267790508,1.186876342,191.6180182,191.1846161,114.4536037,1.00226693,1.674198207,1.670411502,3.43042054,3.220194404,5.261228039,0.633823111,3.904607748,4.742685896,2.393103584,20.60989535,2.971554359,5.339918716,6.656402721,6.657263391,2.472768236,0.006683872,3.96E-24,4.53E-67,9.99E-132,4.25E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,4.742376808,0.12889629,7.648359242,1.01893633,0.168563135,0.355225937,0.321131147,0.017415909,4.71E-05,2.79E-26,3.19E-69,7.04E-134,2.99E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,4.742398013,0.463496457,9.607608419,1.169499924,0.728339878,1.181598879,1.19319005,0.181487198,4.91E-04,2.91E-25,3.32E-68,7.33E-133,3.12E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,4.742652155,2.209359401,19.57354669,2.764279689,4.847931876,6.107976014,6.120334734,2.20319198,0.00595521,3.53E-24,4.04E-67,8.90E-132,3.79E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,4.742425006,0.731067991,11.15640069,1.346495635,1.259824479,1.88541151,1.916918129,0.394214446,0.001065558,6.32E-25,7.22E-68,1.59E-132,6.77E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,4.742827645,3.124668492,24.72276898,3.838617706,7.360678241,8.871683145,8.814486789,3.606300078,0.0097478,5.78E-24,6.61E-67,1.46E-131,6.20E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.345841756,3.656522772,0.91273544,13.8550974,1.892217798,2.193511644,3.134508877,3.18511084,0.770316119,0.002082158,1.23E-24,1.41E-67,3.11E-132,1.32E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.160427149,1.163294415,1.138901807,0.484115949,0.260675015,0.468132096,0.484978538,0.446551088,4.462623371,6.298605333,13.62353135,0.226173924,1.399661723,1.558334683,0.667003787,0.662931678,0.539539102,0.230935388,0.24544171,0.159440935,0.150969997,2.888270148,2.5146625,6.091993867,0.309308654,0.555852643,1.809074743,0.873897736,0.861615031,0.510376662,0.246544269,0.329525105,0.273693486,0.255312811,3.54458751,3.892635738,8.799390362,0.265564994,0.858531402,2.146641285,1.151949418,1.12804361,0.48493757,0.260231439,0.462235222,0.475565185,0.438063134,4.426634313,6.193776343,13.40986191,0.227406354,1.375863541,1.915750705,0.961821597,0.945930838,0.501045935,0.251555069,0.369039888,0.331537213,0.307841675,3.82350314,4.564594782,10.13107992,0.251568902,1.008418775,2.203248648,1.198529372,1.172619108,0.481647873,0.262008159,0.486688108,0.514802441,0.47342713,4.574397127,6.629648124,14.30053154,0.22247181,1.474917679,2.151506752,1.154466076,1.128907331,0.485133008,0.260315056,0.464235507,0.477645385,0.438757084,4.434880159,6.215978519,13.45488562,0.227699512,1.380637975 +UMLKV0024,L,"2,3-DIMETHYLBUTANE",CC(C)C(C)C,C6H14,Paraffin (non-normal),hexanes,79-29-8,2.444401088,PubChem,,0.4443,0,1.1458,1.31285764,28.5356,19.895102,0,0,20,6,14,0,6,0,0,0,0,0,0,0,0,0,879.809622,890.819837,1095.705078,929.26378,321.052032,36.578304,0,0,0,2976.273833,3723.897138,4979.365438,5310.781543,3686.191126,1119.0148,0,0,0,139.301592,137.349428,253.98204,316.795792,372.377088,241.864704,0,0,0,22.95798067,29.53412034,42.11255244,48.11480844,40.06345059,16.00606457,0,0,0,3349.613265,2777.687448,5735.98382,7198.538237,9222.470706,6657.035473,0,0,0,33.55555556,39.11111111,57.33333333,77,78,36,0,0,0,43.9904811,46.88525458,30.43625217,20.65030622,5.945408,1.016064,0,0,0,148.8136916,195.9945862,138.3157066,118.0173676,68.26279863,31.08374443,0,0,0,6.9650796,7.228917263,7.055056667,7.039906489,6.895872,6.718464,0,0,0,1.147899033,1.554427386,1.169793123,1.069217965,0.741915752,0.444612905,0,0,0,167.4806632,146.1940762,159.3328839,159.9675164,170.7864946,184.917652,0,0,0,1.677777778,2.058479532,1.592592593,1.711111111,1.444444444,1,0,0,0,0.027594054,-0.007043022,0.002962385,-0.012271457,-0.016759411,0.019314479,0,0,0,508.4772378,-59.32234441,29.05584216,-332.9315247,-283.2944611,392.2538692,0,0,0,945.5351364,-110.3124326,54.03057923,-619.100387,-526.7981474,729.4128195,0,0,0,0.0996072,-0.01162084,0.00569184,-0.065219,-0.05549544,0.07683984,0,0,0,4.226981996,-0.4931479,0.241541828,-2.767666783,-2.355032827,3.260814683,0,0,0,22.96103329,-2.678787217,1.312059045,-15.03400989,-12.79257569,17.71279711,0,0,0,3.133333333,-1.876666667,1.093333333,-0.083333333,-2.66,1.96,0,0,0,0.001379703,-3.71E-04,8.23E-05,-2.73E-04,-3.10E-04,5.37E-04,0,0,0,25.42386189,-3.122228653,0.807106727,-7.398478328,-5.246193723,10.89594081,0,0,0,47.27675682,-5.805917504,1.500849423,-13.75778638,-9.755521249,20.26146721,0,0,0,0.00498036,-6.12E-04,1.58E-04,-0.001449311,-0.001027693,0.00213444,0,0,0,0.2113491,-0.025955153,0.006709495,-0.061503706,-0.043611719,0.090578186,0,0,0,1.148051665,-0.140988801,0.036446085,-0.334089109,-0.23689955,0.492022142,0,0,0,0.156666667,-0.09877193,0.03037037,-0.001851852,-0.049259259,0.054444444,0,0,0,-0.268670478,0.059642171,-0.197650581,-0.224946633,0.388861534,0,0,0,-0.122807018,0.031746032,-0.291005291,-0.206349206,0.428571429,0,0,0,-0.122807018,0.031746032,-0.291005291,-0.206349206,0.428571429,0,0,0,-0.122807018,0.031746032,-0.291005291,-0.206349206,0.428571429,0,0,0,-0.122807018,0.031746032,-0.291005291,-0.206349206,0.428571429,0,0,0,-0.122807018,0.031746032,-0.291005291,-0.206349206,0.428571429,0,0,0,-0.630459127,0.193853428,-0.011820331,-0.314420804,0.34751773,0,0,0,1.809873071,0.956540033,1.346942481,1.121565904,0,0,0,0,1.666666667,1.130952381,1.407407407,1.005291005,0,0,0,0,1.666666667,1.130952381,1.407407407,1.005291005,0,0,0,0,1.666666667,1.130952381,1.407407407,1.005291005,0,0,0,0,1.666666667,1.130952381,1.407407407,1.005291005,0,0,0,0,1.666666667,1.130952381,1.407407407,1.005291005,0,0,0,0,2.234042553,0.617612293,1.1678487,1.34751773,0,0,0,0,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,27.43671497,13.60724638,20.69276325,27.28856682,4.548094471,13.6072487,-0.222222222,0,0,0,13.73763424,2.289605707,1.572083455,0,11.89,12.11007471,-0.163517376,0.057321995,5.749051625,7.648565496,5,19,19,19,5,0,0,0,0,0,15.304898,3.512766786,2.871866666,2.333552793,2.333552793,1.491291468,0.839455485,0.083923071,0.083923071,1.914834965,1.536478099,1.249629723,1.249629723,0.628641045,0.299734013,0.083923071,0.083923071,3.539373167,2.91948901,2.405454588,2.405454588,1.584452965,0.969374948,0.270913902,0.270913902,1.85520549,1.445894467,1.134540686,1.134540686,0.491830665,0.136103862,0.270913902,0.270913902,3.657377608,3.125257702,2.704236987,2.704236987,1.965177229,1.478968236,0.943918427,0.943918427,1.681111762,1.165396028,0.76031856,0.76031856,0.035277323,0.430678044,0.943918427,0.943918427,3.559031887,2.954421258,2.457539916,2.457539916,1.651626284,1.061748034,0.399277246,0.399277246,1.817335127,1.386951568,1.058262671,1.058262671,0.400279674,0.025152113,0.399277246,0.399277246,3.715368235,3.222531966,2.838982085,2.838982085,2.13284465,1.693474229,1.207644823,1.207644823,1.627333109,1.073816082,0.631337262,0.631337262,0.12661656,0.640892843,1.207644823,1.207644823,3.526659613,3.033678287,2.598486893,2.598486893,1.687769814,1.13070709,0.5625,0.5625,1.836166495,1.291912864,0.910986893,0.910986893,0.328218881,0.077483438,0.5625,0.5625,0,0,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0.666666667,0,0.333333333,0,0.666666667,0,0.333333333,0,1.333333333,0,0,1.333333333,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,9.792794627,19.21485798,18.07843137,18.32,11.58988144,154.455091,0.489639731,0.960742899,0.903921569,0.916,0.579494072,7.722754551,2.2984,29.676,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,8.962962963,0,0,0,0,0,1.703703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.240740741,0,0,0,0,0,0.851851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.240740741,0,0,0,0,0,0.851851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.66666667,1.777777778,0.2,2.240740741,0.2,0.851851852,4.596074074,0.481481481,0.240740741,1.925925926,0.481481481,0.240740741,1.925925926,3,0.5,0,0,0.42,0.7,0.42,0.42,0.7,0,0,0,0,0.71429,0,0,0.66667,0.33333,0,2.5,0.41667,2.5,0.41667,0,0,-2.5,-0.41667,0,0,6.13075,1.02179,6.13075,0,0,2.64272,0.44045,2.64272,0,0,0.27128,0.04521,0.27128,0.04521,0,5,0,0,0,0,0,0,1,0.881290899,1.156779649,1.570950594,1.570950594,1.238757785,0.442179356,17.62581798,23.13559299,31.41901189,31.41901189,24.7751557,8.84358713,0.203911514,0.267653608,0.363483742,0.363483742,0.286621563,0.102310669,3.440637196,3.165148445,2.7509775,2.7509775,3.08317031,3.879748738,0.207463733,0.27231624,0.369815772,0.369815772,0.291614624,0.104092962,6.616095946,9.921960949,10.33937279,10.33937279,6.353059081,0.445639424,23.80204551,20.17438566,21.10210647,21.10210647,17.11579275,5.306152278,6,2.222222222,3,6,0,4,2.12,0.954,2.289428485,0,5.656854249,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,2.312,6,4,0,0,0,0,0,0,0,21,1.791759469,1.945910149,1.609437912,0,0,0,0,0,0,0,3.091042453,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,5,1,0,2,3,0.5,2,0.888888889,0,0,0,0,0,0,0,0,0.4,0.148148148,0,0,0,0,0,0,0,0,0.548148148,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,0,112.3323665,3.584962501,3.135494216,3.761200116,4.465908119,5.141663557,5.837730447,6.52649486,7.220373837,7.912423121,8.605753368,63.60704164,2.397895273,0,3.555348061,0,4.875197323,0,6.244166901,0,7.626082758,7.917536354,86.10955045,4.305477522,10.52364588,1.75394098,0,0,0,29,4,3.632,22,1.220894737,2.102277173,2.89859324,3.47334354,4.115165053,0,0,0,0,0,67.74862772,73.47135818,66.05620195,22.07028228,4.181271064,0,0,0,0,0,263.8372191,318.2040354,359.7349777,247.8091267,127.9147388,0,0,0,0,0,8.859366903,14.89518524,20.44560421,24.00283269,27.64758826,0,0,0,0,0,2.030985313,2.627636527,3.206787562,2.662562765,1.829655488,0,0,0,0,0,176.3944505,330.3755672,460.8234501,589.1298589,760.9666592,0,0,0,0,0,2.559625731,3.497124995,5.089937611,5.145068617,4.115165053,0,0,0,0,0,0.422269342,0.554342331,0.68472227,0.585699749,0.421392901,0,0,0,0,0,341.5644253,115.1736308,8.129582118,112.4603776,-37.92101593,-6.373387515,229.1040477,153.0946467,14.50296963,0.752303449,0.253672553,0.01790559,0.247696551,-0.083521904,-0.014037532,155.0787209,52.29168502,3.691031919,51.05980078,-17.21708178,-2.89367601,0.087844528,0.184849795,1.476908679,9.07452503,454.0248029,0,1,0,310.4078457,17.6183951,6.770866172,446.0263509,21.11933595,7.640471717,503.5591896,22.44012455,7.95579362,1.095700112,1.095700112,255.679439,164.7124546,118.6666439,1.55227751,2.154602428,1.388026569,3.532260473,3.220218461,5.261260744,0.633821061,3.904607748,4.742636052,2.408522585,18.69618632,4.510970233,1.635278887,6.001064432,13.31635606,3.754449779,0.01337715,7.94E-24,9.09E-67,2.01E-131,8.55E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,4.742376457,0.139023705,6.586708969,1.027368117,0.01558003,0.497688558,0.642336396,0.026442897,9.42E-05,5.59E-26,6.40E-69,1.41E-133,6.03E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,4.742394355,0.490368403,8.371590147,1.27629144,0.130407557,1.412112496,2.386671638,0.275555372,9.82E-04,5.83E-25,6.67E-68,1.47E-132,6.28E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,4.742607746,2.229996002,17.71184279,4.134211783,1.4597836,5.59023834,12.24234147,3.34514716,0.0119188,7.08E-24,8.10E-67,1.79E-131,7.62E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,4.74241706,0.764783446,9.800816279,1.584392628,0.273304842,2.101872218,3.834318875,0.59854309,0.002132616,1.27E-24,1.45E-67,3.20E-132,1.36E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,4.742754953,3.114477054,22.61668698,6.091573284,2.371735558,7.606091609,17.63144173,5.475512154,0.019509317,1.16E-23,1.33E-66,2.93E-131,1.25E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.35322342,3.734703825,0.984485015,11.91723254,2.396995125,0.533363303,3.389934893,6.470975941,1.187931375,0.004232614,2.51E-24,2.88E-67,6.35E-132,2.71E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.353508434,1.82696324,0.547657828,0.497767338,0.386402961,0.595617779,0.646277336,0.461231332,4.728129502,6.58924143,13.67217549,0.326255448,1.703126448,1.751870811,1.217133898,0.160766133,0.559744115,0.388889142,0.332177479,0.286837563,0.040820821,3.129770842,2.609576755,6.082143008,0.422949886,0.659835863,2.002531867,1.471359938,0.3222038,0.527524087,0.38759823,0.432713285,0.419176727,0.162096932,3.796095606,4.065746306,8.81119774,0.372683475,1.013986944,2.339742386,1.813022796,0.538826507,0.498709722,0.386440875,0.58874169,0.636452266,0.446733762,4.691591689,6.47962624,13.45692336,0.327725895,1.671927718,2.109123706,1.579398549,0.390741833,0.517035343,0.387177323,0.479456928,0.482995158,0.237266936,4.079264088,4.772406869,10.15328941,0.356318998,1.199719023,2.39626597,1.870259062,0.575082531,0.494931888,0.386288859,0.617228405,0.677271566,0.507676046,4.841607563,6.935242158,14.35416153,0.32183112,1.802176018,2.345528543,1.818407862,0.538649062,0.498774251,0.386682576,0.591554415,0.640238681,0.446069402,4.702585468,6.508027983,13.5080204,0.32818524,1.677862498 +UMLKV0025,L,2-METHYLHEXANE,CCCCC(C)C,C7H16,Paraffin (non-normal),Alkanes,591-76-4,2.615230371,PubChem,,0.4764,0,0.3038,0.09229444,30.4415,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1168.347606,938.408356,684.250059,478.348754,160.526016,18.289152,0,3461.958223,4376.887272,5667.785137,5590.535243,4361.573366,3075.021321,1843.095563,559.5073998,0,160.279036,159.125208,296.687832,377.261968,372.448236,249.09716,186.188544,120.932352,0,26.63610648,34.55010896,48.7938183,52.11632459,43.08272344,30.05967844,20.03172529,8.003032287,0,3846.242925,3210.7269,6654.719106,8862.797105,9238.871444,6095.657421,4611.235353,3328.517736,0,36.52777778,43.16666667,65.91666667,80.66666667,71.33333333,51,39,18,0,44.61329874,48.14991518,27.81780014,17.37793252,12.67129739,13.28746539,5.945408,1.016064,0,150.5199227,198.9494215,134.9472652,103.5284304,80.76987715,85.41725893,68.26279863,31.08374443,0,6.968653739,7.232964,7.063996,6.986332741,6.897189556,6.919365556,6.895872,6.718464,0,1.158091586,1.570459498,1.161757579,0.965117122,0.797828212,0.834991068,0.741915752,0.444612905,0,167.2279533,145.9421318,158.445693,164.1258723,171.0902119,169.3238172,170.7864946,184.917652,0,1.588164251,1.962121212,1.569444444,1.49382716,1.320987654,1.416666667,1.444444444,1,0,0.032479793,-0.005563372,-0.006666306,-0.01174386,0.005232375,0.001316487,-0.008367378,0.009552158,0,589.5388264,-58.58770946,-129.0760474,-236.6394202,84.44869059,-17.39322625,-139.3746682,201.8529677,0,1096.272622,-108.9463475,-240.0224219,-440.0411068,157.0359462,-32.34344692,-259.173147,375.354213,0,0.115486609,-0.01147693,-0.025285112,-0.046356038,0.016542919,-0.003407214,-0.027302541,0.039541611,0,4.900848691,-0.487040864,-1.073011903,-1.967188489,0.702023745,-0.144590256,-1.158624555,1.678007976,0,26.62148787,-2.645613702,-5.828617687,-10.68579909,3.813404125,-0.785416568,-6.29366697,9.114965957,0,2.845410628,-1.257929007,0.358380592,-1.202268431,0.355702583,0.857908003,-1.329395085,0.79489603,0,0.001412165,-2.53E-04,-1.59E-04,-2.17E-04,9.69E-05,3.66E-05,-3.10E-04,5.31E-04,0,25.63212289,-2.663077703,-3.073239224,-4.382211486,1.563864641,-0.483145173,-5.162024748,11.21405376,0,47.66402704,-4.952106706,-5.714819569,-8.148909385,2.908073078,-0.898429081,-9.599005446,20.85301183,0,0.005021157,-5.22E-04,-6.02E-04,-8.58E-04,3.06E-04,-9.46E-05,-0.001011205,0.002196756,0,0.213080378,-0.022138221,-0.025547902,-0.036429416,0.01300044,-0.004016396,-0.042912021,0.093222665,0,1.157455995,-0.120255168,-0.138776612,-0.197885168,0.070618595,-0.021817127,-0.233098777,0.506386998,0,0.123713506,-0.057178591,0.008532871,-0.02226423,0.006587085,0.023830778,-0.049236855,0.044160891,0,-0.179072957,-0.112395927,-0.154003888,0.068615104,0.025895756,-0.219452343,0.375788575,0,-0.103896104,-0.119897959,-0.170965608,0.061011905,-0.018849206,-0.201388889,0.4375,0,-0.103896104,-0.119897959,-0.170965608,0.061011905,-0.018849206,-0.201388889,0.4375,0,-0.103896104,-0.119897959,-0.170965608,0.061011905,-0.018849206,-0.201388889,0.4375,0,-0.103896104,-0.119897959,-0.170965608,0.061011905,-0.018849206,-0.201388889,0.4375,0,-0.103896104,-0.119897959,-0.170965608,0.061011905,-0.018849206,-0.201388889,0.4375,0,-0.462185522,0.068972835,-0.179966044,0.053244671,0.192628749,-0.397990945,0.356960951,0,1.717001922,1.200772292,1.165025936,0.738086643,0.868062476,1.139809105,1.93E-05,0,1.642857143,1.290816327,1.171296296,0.75297619,0.878472222,1.003968254,0,0,1.642857143,1.290816327,1.171296296,0.75297619,0.878472222,1.003968254,0,0,1.642857143,1.290816327,1.171296296,0.75297619,0.878472222,1.003968254,0,0,1.642857143,1.290816327,1.171296296,0.75297619,0.878472222,1.003968254,0,0,1.642857143,1.290816327,1.171296296,0.75297619,0.878472222,1.003968254,0,0,2.069609508,0.797720107,1.181239389,0.692039238,0.733800226,1.718166384,0,0,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,37.67959716,18.74753667,30.09747105,37.54779444,5.363970634,18.74753669,-0.18452381,0.06039553,0.008627933,-1.964788125,26.33453469,3.762076384,2.289616829,0,11.89,12.11009426,-0.164721692,0.055970353,5.126994334,7.491492999,6,22,22,22,6,0,0,0,0,0,17.491312,3.497227179,3.142066486,2.53245952,2.333552793,1.841296227,1.29363444,0.968750627,0.083923071,1.915797261,1.693083946,1.307633915,1.249629723,0.884913646,0.591754776,0.37871251,0.083923071,3.525573413,3.18037295,2.589675666,2.405454588,1.924093632,1.404550849,1.094121287,0.270913902,1.854858694,1.615457648,1.20518793,1.134540686,0.756083105,0.441318657,0.219998352,0.270913902,3.650070152,3.347508359,2.834314736,2.704236987,2.267753967,1.848741653,1.585086196,0.943918427,1.674881991,1.380501006,0.881459793,0.76031856,0.331946346,0.071013279,0.327811355,0.943918427,3.546450579,3.208544763,2.631521609,2.457539916,1.984104616,1.483982621,1.183161214,0.399277246,1.815985774,1.565413162,1.137990084,1.058262671,0.670273055,0.339907473,0.11253238,0.399277246,3.710568778,3.427721511,2.948217832,2.838982085,2.421735294,2.03993089,1.791956841,1.207644823,1.618555556,1.305428883,0.773602861,0.631337262,0.184116439,0.257038413,0.530403117,1.207644823,3.536188267,3.268836324,2.720209556,2.644447344,2.064607439,1.576004797,1.279868996,0.591549296,1.813452291,1.490332163,1.022653816,0.869799456,0.554810153,0.213699945,0.015430171,0.591549296,0,0,0,0,0,3,3,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.204124145,0.288675135,0.204124145,0.204124145,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,6.785416667,0,4.145185185,0,0,0,0.902731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.238472222,0,1.345416667,0,0,0,0.902731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.273472222,0,1.400462963,0,0,0,0.902731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.69047619,0.2,2.273472222,0.2,0.902731481,5.312940139,0.430601852,0.273472222,1.570833333,0.430601852,0.273472222,1.570833333,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.42857,0.14286,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.02591,1.0037,7.02591,0,0,3.27005,0.46715,3.27005,0,0,0.14395,0.02056,0.14395,0.02056,0,6,0,0,0,0,0,0,1,0.886540893,1.327484782,2.521861955,3.087929347,2.653146738,2.338066093,20.39044053,30.53214998,58.00282497,71.02237498,61.02237498,53.77552013,0.195982923,0.293460064,0.557494731,0.682632266,0.586517166,0.516863948,3.637021063,3.196077174,2.001700001,1.435632609,1.870415218,2.185495864,0.19880132,0.297680264,0.565511969,0.692449086,0.594951771,0.524296882,6.634953582,11.92628025,16.71908002,15.01711798,13.98386821,12.2100386,27.76507516,20.80617277,17.57522093,19.15547313,21.36755302,14.27981442,7,4.166666667,6,7,0,6,2.23,1.0949,0.814325285,3.639717277,1.889881575,0,2.381101578,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.039,6,4,3,2,0,0,0,0,0,28,1.945910149,1.945910149,1.609437912,1.386294361,1.098612289,0,0,0,0,0,3.36729583,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,6,1,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,0,129.6283511,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,100.1252005,4.353269587,12.67036528,1.810052182,0,0,0,52,4,4.262,24,1.224818182,2.11142556,2.86815028,3.505596004,4.583764,5.606109701,6.36847156,0,0,0,69.72220731,66.73106956,57.6696265,55.78784931,72.05834205,35.56890227,6.470774688,0,0,0,268.787596,308.3215324,318.4865441,321.2462047,431.4218165,399.5708236,197.9559424,0,0,0,8.893455721,14.97034384,20.0834547,24.28782137,31.83955585,38.73957148,42.78634691,0,0,0,2.059771149,2.597411395,2.89718899,3.046563606,4.095354512,4.294258938,2.83150464,0,0,0,176.6115071,330.5407757,467.50604,591.5953956,766.830421,951.0312158,1177.642808,0,0,0,2.460280303,3.429494663,4.380938342,4.833811803,6.78778652,8.299525207,6.36847156,0,0,0,0.427911136,0.549535126,0.621434888,0.659201804,0.88552205,0.944679607,0.652131488,0,0,0,384.7024194,152.1280071,9.347763553,164.1934093,-64.92918911,-9.846918524,220.5090101,217.0571963,19.19468208,0.700865992,0.277152784,0.017030123,0.299134008,-0.118290549,-0.017939503,211.1615533,83.50242855,5.130948422,90.12507744,-35.63936106,-5.404932503,0.074315115,0.164791783,1.269169969,10.94539636,548.8958287,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,586.8869359,24.22574944,8.372429143,1.797339331,1.797339331,521.6769573,474.2749264,81.91748164,1.099946315,6.368322693,5.789666831,4.136657849,4.466158665,7.63628977,0.709811572,4.462408855,5.691193727,2.603842297,19.56825101,7.346172766,3.228350449,4.423540967,11.38832605,4.946125219,2.93433145,3.453031965,0.410757472,1.952300582,1.267677768,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851943,0.162461632,6.332239363,0.551129504,0.090446133,0.438376387,0.515367778,2.050598107,0.100687104,0.074037153,0.010595825,0.130750194,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690875412,0.561386015,7.766265761,1.01586179,0.410823543,1.07334767,1.913633129,2.476889913,0.420725185,0.380506359,0.037402441,0.443883397,0.093040376,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691156425,2.419213533,18.30947248,6.603912652,2.922996768,4.116429695,10.43220018,4.71058109,2.66945533,3.110589162,0.366846939,1.820026094,1.129478069,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690905269,0.864753012,9.127093947,1.608730229,0.725807525,1.562231669,3.1173111,2.81844267,0.71713644,0.704684404,0.072097838,0.676264037,0.202096129,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691350436,3.327371478,24.73815598,10.46488572,4.487528447,5.632329175,15.25826066,5.884413982,4.018829111,4.874888024,0.595380333,2.465625438,1.848788887,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,2.765215168,4.923310403,1.242251115,11.81922431,2.938777342,1.431166547,2.274519741,5.246753633,3.591554248,1.292043517,1.433204595,0.152023546,1.215712266,0.443599203,1.26E-06,2.80E-33,1.20E-81,9.92E-152,1.58E-243,0,0,0,0,0,0,0,0,0,0,0,5.399567424,1.145243596,0.571116323,0.758800247,0.160940878,0.548336669,0.461434897,0.420600829,7.115927343,9.921668421,20.56927632,0.63820037,1.430372395,4.564541269,0.646523159,0.172572201,0.847854635,0.120090415,0.392766546,0.148333747,0.038945676,5.383636629,3.850366499,9.743277783,0.771781952,0.580045968,4.910239006,0.85315908,0.337751788,0.804805505,0.139835785,0.454022895,0.257366963,0.148341573,6.101149874,6.135813001,13.65187773,0.707208258,0.859731431,5.38025705,1.133725343,0.561916017,0.760363807,0.160223519,0.544445651,0.452287913,0.407295826,7.07589841,9.760044813,20.26348133,0.64054571,1.40402939,5.058190755,0.941520375,0.408362858,0.789346497,0.146927201,0.481598545,0.312958127,0.216308355,6.408073988,7.212448843,15.56530588,0.684019745,1.010865028,5.459607676,1.181052293,0.599717703,0.754050123,0.163120261,0.560523529,0.490445463,0.463297096,7.240377672,10.43060351,21.5380102,0.631075185,1.514266089,5.398490031,1.137025209,0.562535229,0.760559544,0.16018838,0.548100566,0.454781649,0.407785918,7.098050469,9.814676821,20.36569187,0.640839317,1.410668133 +UMLKV0026,L,3-METHYLHEXANE,CCCC(C)CC,C7H16,Paraffin (non-normal),Alkanes,589-34-4,2.614865278,PubChem,,0.4479,0,-0.0844,0.00712336,30.6077,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1168.347606,1059.474365,750.796203,366.427321,93.979872,9.144576,0,3461.958223,4376.887272,5667.785137,5815.662656,4863.490598,3129.647608,1341.178331,279.7536999,0,160.279036,159.125208,296.687832,377.285684,374.843244,309.53962,183.793536,60.466176,0,26.63610648,34.55010896,48.7938183,53.12274887,47.09631187,33.0547703,16.01813686,4.001516144,0,3846.242925,3210.7269,6654.719106,8868.264018,9048.100818,7754.449376,4802.005979,1664.258868,0,36.52777778,43.25,65.25,79.58333333,78,61,33,9,0,44.61329874,48.14991518,27.81780014,19.61989565,13.90363339,8.142829356,3.480736,1.016064,0,150.5199227,198.9494215,134.9472652,107.6974566,90.0646407,69.54772462,49.67327153,31.08374443,0,6.968653739,7.232964,7.063996,6.986771926,6.941541556,6.878658222,6.807168,6.718464,0,1.158091586,1.570459498,1.161757579,0.983754609,0.872153924,0.734550451,0.593264328,0.444612905,0,167.2279533,145.9421318,158.445693,164.2271114,167.5574226,172.3210972,177.8520733,184.917652,0,1.588164251,1.965909091,1.553571429,1.473765432,1.444444444,1.355555556,1.222222222,1,0,0.032503873,-0.005861214,-0.00794553,-0.003306304,-0.004926974,-0.001999363,0.003059188,0.004728259,0,589.5388264,-58.58770946,-129.0760474,-115.5734112,-136.6283693,-37.53275137,81.70239171,100.9264839,0,1096.272622,-108.9463475,-240.0224219,-214.9136934,-254.066287,-69.79375388,151.9290862,187.6771065,0,0.115486609,-0.01147693,-0.025285112,-0.022640038,-0.02676456,-0.007352408,0.016004938,0.019770805,0,4.900848691,-0.487040864,-1.073011903,-0.960764204,-1.135794514,-0.312010553,0.679193705,0.839003988,0,26.62148787,-2.645613702,-5.828617687,-5.218886404,-6.169653828,-1.694846278,3.689390983,4.557482978,0,2.845410628,-1.174595673,-0.308286074,0.134688091,-0.238500315,-0.164933837,-0.06852552,0.397448015,0,0.001413212,-2.66E-04,-1.89E-04,-6.12E-05,-9.12E-05,-4.44E-05,1.13E-04,5.25E-04,0,25.63212289,-2.663077703,-3.073239224,-2.140248356,-2.530154988,-0.834061142,3.026014508,11.21405376,0,47.66402704,-4.952106706,-5.714819569,-3.97988321,-4.704931241,-1.550972309,5.627003192,20.85301183,0,0.005021157,-5.22E-04,-6.02E-04,-4.19E-04,-4.96E-04,-1.63E-04,5.93E-04,0.002196756,0,0.213080378,-0.022138221,-0.025547902,-0.01779193,-0.021033232,-0.006933568,0.025155322,0.093222665,0,1.157455995,-0.120255168,-0.138776612,-0.096646045,-0.114252849,-0.037663251,0.13664411,0.506386998,0,0.123713506,-0.053390712,-0.007340145,0.002494224,-0.004416673,-0.003665196,-0.002537982,0.044160891,0,-0.188520067,-0.133864767,-0.043325311,-0.064562334,-0.031439227,0.080174282,0.371750454,0,-0.103896104,-0.119897959,-0.083498677,-0.098710317,-0.032539683,0.118055556,0.4375,0,-0.103896104,-0.119897959,-0.083498677,-0.098710317,-0.032539683,0.118055556,0.4375,0,-0.103896104,-0.119897959,-0.083498677,-0.098710317,-0.032539683,0.118055556,0.4375,0,-0.103896104,-0.119897959,-0.083498677,-0.098710317,-0.032539683,0.118055556,0.4375,0,-0.103896104,-0.119897959,-0.083498677,-0.098710317,-0.032539683,0.118055556,0.4375,0,-0.431567372,-0.059331797,0.02016129,-0.035700811,-0.029626486,-0.020514997,0.356960951,0,1.727154756,1.209809405,1.021645895,1.009194551,0.861467339,0.583673553,1.51E-08,0,1.642857143,1.290816327,1.087632275,1.003968254,0.803174603,0.501984127,0,0,1.642857143,1.290816327,1.087632275,1.003968254,0.803174603,0.501984127,0,0,1.642857143,1.290816327,1.087632275,1.003968254,0.803174603,0.501984127,0,0,1.642857143,1.290816327,1.087632275,1.003968254,0.803174603,0.501984127,0,0,1.642857143,1.290816327,1.087632275,1.003968254,0.803174603,0.501984127,0,0,2.040322581,0.920446277,0.859083192,1.026127146,0.987945671,0.859083192,0,0,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,36.77045554,18.29296587,28.35009323,36.63865282,5.23409326,18.29296589,-0.18452381,0.044253682,0.006321955,-2.182471697,23.05157387,3.293081982,2.196413834,0,11.89,12.11009426,-0.169148055,0.051271425,5.205584379,7.956379543,6,22,22,22,6,0,0,0,0,0,17.491312,3.513114128,3.071856517,2.688670694,2.233248777,1.776372742,1.396431061,0.930872281,0.083923071,1.921555107,1.656855366,1.432571689,1.139580706,0.859974435,0.651168221,0.361399181,0.083923071,3.540559641,3.113111403,2.743477416,2.303286336,1.863932868,1.502723355,1.058534859,0.270913902,1.861678808,1.575544616,1.333760036,1.024619841,0.728078729,0.504550424,0.20099611,0.270913902,3.661469382,3.29212709,2.977651733,2.596903846,2.223976014,1.930021187,1.557723544,0.943918427,1.685639611,1.327263863,1.022809842,0.652389658,0.290687386,0.007523115,0.353869665,0.943918427,3.560792974,3.143400625,2.78353999,2.354189513,1.927186899,1.578932786,1.149164306,0.399277246,1.82355259,1.522942124,1.269062686,0.948526365,0.640005638,0.40587786,0.092299111,0.399277246,3.720446316,3.377434827,3.086797123,2.730372543,2.383750373,2.114833279,1.767609835,1.207644823,1.630804989,1.247214842,0.91952574,0.52493374,0.136817796,0.171995084,0.559571488,1.207644823,3.542208774,3.213963171,2.9227269,2.468351898,2.026762165,1.67067351,1.247616643,0.591549296,1.827687999,1.439546903,1.12040559,0.810651265,0.510022989,0.280579946,0.037436701,0.591549296,0,0,0,0,0,3,3,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.49279928,0.40824829,0.204124145,0.49279928,0.40824829,0.204124145,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,6.801574074,0,4.082685185,0,0,0,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.242222222,0,1.341111111,0,0,0,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.309027778,0,1.399305556,0,0,0,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.69047619,0.2,2.309027778,0.2,0.949074074,5.309490741,0.384259259,0.309027778,1.603148148,0.384259259,0.309027778,1.603148148,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.42857,0.14286,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.07892,1.01127,7.07892,0,0,3.30805,0.47258,3.30805,0,0,0.10595,0.01514,0.10595,0.01514,0,6,0,0,0,0,0,0,1,0.886540893,1.327484782,2.521861955,3.207707064,3.017944979,2.379571242,20.39044053,30.53214998,58.00282497,73.77726248,69.41273451,54.73013857,0.195982923,0.293460064,0.557494731,0.709110894,0.66716119,0.526039273,3.637021063,3.196077174,2.001700001,1.315854892,1.505616978,2.143990714,0.19880132,0.297680264,0.565511969,0.719308499,0.676755523,0.533604155,6.634953582,11.92628025,16.71908002,16.45445059,14.94658598,10.9352509,27.76507516,20.80617277,17.57522093,17.11297261,19.39173394,16.41148336,7,4.166666667,3.84,7,0,6,2.23,1.0949,0.766309432,4.112265279,1.650963624,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.039,6,5,3,1,0,0,0,0,0,28,1.945910149,1.945910149,1.791759469,1.386294361,0.693147181,0,0,0,0,0,3.36729583,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,6,1,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,0,129.6283511,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,100.1252005,4.353269587,12.66537523,1.809339318,0,0,0,50,5,4.262,24,1.224818182,2.11142556,2.867533957,3.525187397,4.36918953,5.563380252,7.058444873,0,0,0,69.72220731,66.73106956,64.29670785,59.79718573,44.26043391,22.09307243,7.171831732,0,0,0,268.787596,308.3215324,331.3002501,351.9450334,340.1511157,296.9300748,219.4028965,0,0,0,8.893455721,14.97034384,20.08381424,24.56302577,30.1827031,37.96906017,47.42190778,0,0,0,2.059771149,2.597411395,2.956662873,3.295888154,3.465837725,3.465113537,3.138275679,0,0,0,176.6115071,330.5407757,467.4308715,583.7815225,742.9770141,981.6370519,1305.231053,0,0,0,2.466049242,3.384750067,4.327180033,5.271150248,6.218951454,7.045689013,7.058444873,0,0,0,0.427911136,0.549535126,0.632467242,0.710702546,0.757650181,0.773655823,0.722784755,0,0,0,381.0301594,150.5104252,9.240304407,140.8270612,-55.6279873,-8.554166061,240.2030982,206.1384125,17.79447047,0.730142545,0.288413036,0.017706576,0.269857455,-0.106596182,-0.016391775,198.8433399,78.54495217,4.822119576,73.49161876,-29.02986684,-4.464053325,0.075001756,0.164955492,1.169730682,10.73838948,521.8572206,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,598.4971078,24.46420053,8.427278607,1.89259598,1.526290971,483.5382822,439.5710476,80.20393844,1.100023045,6.028859576,5.480666612,4.019056751,4.466158665,7.63628977,0.709811572,4.462408855,5.691185733,2.523473062,22.07828065,7.839961149,5.513492167,6.198358568,8.891993467,6.032234781,2.422975435,2.910398195,0.073937921,1.544812114,1.267677695,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851887,0.161895582,6.467581135,1.046305104,0.171644691,0.531568745,0.420956045,2.069101809,0.054172639,0.022953403,0.008212694,0.127880219,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690874825,0.55548736,8.252787789,1.509035101,0.745805086,1.410923038,1.533025675,2.611946213,0.273168838,0.219255056,0.012653829,0.413976048,0.093040371,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691149302,2.34760599,20.62688193,7.097177789,5.003844943,5.753321569,8.155110881,5.695471762,2.184378152,2.594569597,0.066739288,1.456961205,1.129478003,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690903994,0.851940353,9.894342239,2.101039475,1.293225955,2.096925619,2.479641444,3.063607087,0.502046392,0.470725769,0.018367329,0.611301281,0.202096118,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691338777,3.210160512,28.01501293,10.96130198,7.60784131,7.957538365,11.86819189,7.386008805,3.412647832,4.237662994,0.104196171,1.871341804,1.848788779,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,2.765215168,4.950965967,1.235374837,12.66535211,3.623676924,2.531053764,3.217684934,3.928312033,4.191038531,0.93240862,1.028201207,0.03411055,1.073119595,0.443599177,1.26E-06,2.80E-33,1.20E-81,9.92E-152,1.58E-243,0,0,0,0,0,0,0,0,0,0,0,5.077399275,1.103250795,0.584503124,0.750522439,0.163078465,0.508613498,0.435401278,0.435706437,6.765153195,9.214254066,19.25358614,0.625783658,1.379721213,4.20910626,0.620836848,0.181093231,0.839967219,0.123893903,0.349627151,0.137456934,0.042081886,5.011036339,3.487838266,8.972101688,0.759950829,0.529165971,4.5685986,0.820779259,0.348212092,0.796257425,0.143052966,0.41182159,0.240615132,0.155194704,5.737589952,5.626457514,12.66977699,0.694386137,0.807631426,5.057321662,1.092114576,0.575183676,0.752060596,0.162405398,0.504599092,0.42663456,0.421983095,6.724619914,9.060230041,18.96168988,0.628090894,1.353216747,4.722444579,0.906249705,0.419686898,0.780778267,0.149833431,0.440004182,0.293493126,0.225198282,6.048381182,6.642003249,14.48652432,0.671167401,0.95869559,5.139824419,1.137870382,0.613476745,0.745856403,0.16512002,0.521197446,0.46322455,0.47976118,6.891171545,9.699673745,20.1787358,0.618784604,1.464183176,5.075117168,1.094685998,0.575927151,0.752345103,0.162278352,0.508156055,0.428619509,0.422618901,6.745730316,9.109016857,19.05440243,0.628517654,1.359394466 +UMLKV0027,L,3-ETHYLPENTANE,CCC(CC)CC,C7H16,Paraffin (non-normal),Alkanes,617-78-7,2.615144936,PubChem,,0.441,0,-1.0162,1.03266244,29.2337,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1168.347606,1180.540374,817.342347,254.505888,27.433728,0,0,3461.958223,4376.887272,5667.785137,6040.79007,5365.407829,3184.273894,839.2610996,0,0,160.279036,159.125208,296.687832,377.3094,377.238252,369.98208,181.398528,0,0,26.63610648,34.55010896,48.7938183,54.12917316,51.1099003,36.04986215,12.00454843,0,0,3846.242925,3210.7269,6654.719106,8873.73093,8857.330192,9413.241332,4992.776605,0,0,36.52777778,43.33333333,64.75,78,84,72,27,0,0,44.61329874,48.14991518,27.81780014,21.86185878,15.13596939,4.713072,1.016064,0,0,150.5199227,198.9494215,134.9472652,111.8664828,99.35940425,58.96803508,31.08374443,0,0,6.968653739,7.232964,7.063996,6.987211111,6.985893556,6.85152,6.718464,0,0,1.158091586,1.570459498,1.161757579,1.002392095,0.946479635,0.66759004,0.444612905,0,0,167.2279533,145.9421318,158.445693,164.3283506,164.0246332,174.3192839,184.917652,0,0,1.588164251,1.96969697,1.541666667,1.444444444,1.555555556,1.333333333,1,0,0,0.032527919,-0.006158607,-0.009219332,0.00512233,-0.015191929,-0.005005412,0.014188992,0,0,589.5388264,-58.58770946,-129.0760474,5.492597762,-357.7054292,-57.6722765,302.7794516,0,0,1096.272622,-108.9463475,-240.0224219,10.21372008,-665.1685202,-107.2440608,563.0313194,0,0,0.115486609,-0.01147693,-0.025285112,0.001075962,-0.070072038,-0.011297603,0.059312416,0,0,4.900848691,-0.487040864,-1.073011903,0.045660081,-2.973612774,-0.47943085,2.517011964,0,0,26.62148787,-2.645613702,-5.828617687,0.248026285,-16.15271178,-2.604275988,13.67244894,0,0,2.845410628,-1.09126234,-0.808286074,0.971644612,-0.289224953,-1.397920605,1.192344045,0,0,0.001414257,-2.80E-04,-2.20E-04,9.49E-05,-2.81E-04,-9.27E-05,5.26E-04,0,0,25.63212289,-2.663077703,-3.073239224,0.101714773,-6.624174616,-1.06800512,11.21405376,0,0,47.66402704,-4.952106706,-5.714819569,0.189142964,-12.31793556,-1.986001127,20.85301183,0,0,0.005021157,-5.22E-04,-6.02E-04,1.99E-05,-0.00129763,-2.09E-04,0.002196756,0,0,0.213080378,-0.022138221,-0.025547902,8.46E-04,-0.055066903,-0.008878349,0.093222665,0,0,1.157455995,-0.120255168,-0.138776612,0.004593079,-0.299124292,-0.048227333,0.506386998,0,0,0.123713506,-0.049602834,-0.019244907,0.017993419,-0.005356018,-0.025887419,0.044160891,0,0,-0.197939004,-0.15521073,0.067072627,-0.19892562,-0.065541693,0.371585993,0,0,-0.103896104,-0.119897959,0.003968254,-0.25843254,-0.041666667,0.4375,0,0,-0.103896104,-0.119897959,0.003968254,-0.25843254,-0.041666667,0.4375,0,0,-0.103896104,-0.119897959,0.003968254,-0.25843254,-0.041666667,0.4375,0,0,-0.103896104,-0.119897959,0.003968254,-0.25843254,-0.041666667,0.4375,0,0,-0.103896104,-0.119897959,0.003968254,-0.25843254,-0.041666667,0.4375,0,0,-0.400949221,-0.155560272,0.145444256,-0.043293718,-0.209252971,0.356960951,0,0,1.737280122,1.218871993,0.880446323,1.276185005,0.872761516,0,0,0,1.642857143,1.290816327,1.003968254,1.254960317,0.75297619,0,0,0,1.642857143,1.290816327,1.003968254,1.254960317,0.75297619,0,0,0,1.642857143,1.290816327,1.003968254,1.254960317,0.75297619,0,0,0,1.642857143,1.290816327,1.003968254,1.254960317,0.75297619,0,0,0,1.642857143,1.290816327,1.003968254,1.254960317,0.75297619,0,0,0,2.011035654,1.012490905,0.608517261,1.181239389,1.288624788,0,0,0,28.59389526,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,0,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,28.59389526,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,0,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,28.59389526,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,0,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,28.59389526,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,0,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,28.59389526,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,0,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,28.59389526,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,0,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,35.61550058,17.71548839,24.48262939,35.48369786,5.069099695,17.71548844,-0.18452381,0,0,0,3000009.507,428572.7867,10.43988821,0,11.89,12.11009426,-0.16903964,0.051391638,5.433519118,8.270753521,6,22,22,22,6,0,0,0,0,0,17.491312,3.526648257,2.902564078,2.902564078,2.181727047,1.598026915,1.598026915,0.902587011,0.083923071,1.926688276,1.563026335,1.563026335,1.084438741,0.769718516,0.769718516,0.348066086,0.083923071,3.553367324,2.950308951,2.950308951,2.250821456,1.695309721,1.695309721,1.031979376,0.270913902,1.867720858,1.473453684,1.473453684,0.969245257,0.630337185,0.630337185,0.186460336,0.270913902,3.67134812,3.155598408,3.155598408,2.542033557,2.090117344,2.090117344,1.537209272,0.943918427,1.694987868,1.195492746,1.195492746,0.597291919,0.162386152,0.162386152,0.373444117,0.943918427,3.573079272,2.985267979,2.985267979,2.301138919,1.765276817,1.765276817,1.123795185,0.399277246,1.83022888,1.415133181,1.415133181,0.893065587,0.536857124,0.536857124,0.076887173,0.399277246,3.729063388,3.252217518,3.252217518,2.67505104,2.26277616,2.26277616,1.749263129,1.207644823,1.641383456,1.104407163,1.104407163,0.470453387,0.004703131,0.004703131,0.581393754,1.207644823,3.546267417,3.09326525,3.09326525,2.410795178,1.863601082,1.863601082,1.223645829,0.591549296,1.84276286,1.296046237,1.296046237,0.75828437,0.407298968,0.407298968,0.054141623,0.591549296,0,0,0,0,0,3,3,1,0,0,0,0,0,0,0,0,0,0,0,0.204124145,0,0,0,0.204124145,0,0,0,0.612372436,0.612372436,0,0.612372436,0.612372436,0,5.698670613,3.346065215,2.090770275,1.732050808,0.866025404,0,0,0,0.814095802,0.557677536,0.348461713,0.288675135,0.288675135,0,0,0,5.698670613,3.346065215,2.090770275,1.732050808,0.866025404,0,0,0,0.814095802,0.557677536,0.348461713,0.288675135,0.288675135,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,36,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,6.784722222,0,4.0625,0,0,0,0.986111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.261574074,0,1.354166667,0,0,0,0.986111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.261574074,0,1.354166667,0,0,0,0.986111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.69047619,0.2,2.261574074,0.2,0.986111111,5.308222222,0.347222222,0.261574074,1.569444444,0.347222222,0.261574074,1.569444444,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.42857,0.14286,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.12629,1.01804,7.12629,0,0,3.34606,0.47801,3.34606,0,0,0.06794,0.00971,0.06794,0.00971,0,6,0,0,0,0,0,0,1,0.886540893,1.327484782,2.195349999,2.195349999,1.998673392,1.418701204,20.39044053,30.53214998,50.49304997,50.49304997,45.96948801,32.63012769,0.195982923,0.293460064,0.485314454,0.485314454,0.441836193,0.313624798,3.637021063,3.196077174,2.328211957,2.328211957,2.524888564,3.104860752,0.19880132,0.297680264,0.492293679,0.492293679,0.448190165,0.318134983,6.634953582,11.92628025,12.80093654,12.80093654,10.44081726,5.643054678,27.76507516,20.80617277,22.97686298,22.97686298,21.79680334,14.70080627,7,4.166666667,2.666666667,7,0,5,2.23,1.0949,0.75,4.326748711,1.5,0,1.5,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.039,6,6,3,0,0,0,0,0,0,28,1.945910149,1.945910149,1.945910149,1.386294361,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,6,1,0,2,4,1,1.5,0.666666667,0.375,0,0,0,0,0,0,0,0.25,0.111111111,0.0625,0,0,0,0,0,0,0,0.423611111,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,0,129.6283511,3.807354922,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,66.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921535632,100.1252005,4.353269587,12.6691974,1.809885343,0,0,0,48,6,4.262,24,1.224818182,2.11142556,2.865572383,3.520945155,4.034074112,4.579342432,0,0,0,0,69.72220731,66.73106956,69.18941076,57.19042614,19.88702573,4.652904989,0,0,0,0,268.787596,308.3215324,340.4487016,363.1196725,244.474562,142.3431098,0,0,0,0,8.893455721,14.97034384,20.0722716,24.6357118,27.67100006,30.76614727,0,0,0,0,2.059771149,2.597411395,2.997464361,3.420107467,2.745829823,2.036034741,0,0,0,0,176.6115071,330.5407757,467.2340714,574.6063808,700.7109652,846.8012503,0,0,0,0,2.471818182,3.349874301,4.242267585,5.580003698,5.457580927,4.579342432,0,0,0,0,0.427911136,0.549535126,0.639947731,0.737202911,0.608963727,0.468924665,0,0,0,0,361.4521467,142.6199576,8.823504747,146.8652023,-57.9493278,-8.551359987,214.5869444,200.5692854,17.37486473,0.711075763,0.280572674,0.01735826,0.288924237,-0.114002262,-0.016822877,183.732397,72.49619877,4.485140542,74.6541303,-29.45664868,-4.346804639,0.075673485,0.164556389,1.431314881,9.687743225,508.317349,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,634.4662802,25.1886141,8.59282925,1.609580039,1.20582466,359.6637963,291.4446471,124.2057763,1.234072404,2.895709097,2.346466129,3.842500793,3.220194404,6.42424645,0.994987148,4.462409009,6.050239669,3.745527965,21.15551917,8.458952726,6.744687705,7.963091409,12.66956978,3.321162046,5.62089371,0.856845983,1.126710554,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499054,5.693382889,0.250801218,7.4350724,1.065799878,1.087411198,0.556749033,0.551587494,1.011114361,0.076758213,0.006035905,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928606,5.717232891,0.851481918,9.183071752,1.593348129,1.832914221,1.659001124,2.117151437,1.262628851,0.508038198,0.062890392,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212150083,6.01106138,3.491725256,19.94317538,7.659108672,6.253567929,7.364798649,11.60650425,3.101908389,5.033708709,0.76343508,1.003878819,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738341,5.748151931,1.29728371,10.69556803,2.246936531,2.466198734,2.537263617,3.461458454,1.500612817,1.012060537,0.136603707,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389005176,6.214978167,4.73050097,26.067101,11.81468079,8.727476087,10.34280259,16.97033426,4.22133453,8.076307643,1.249625854,1.643201452,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.765215222,5.104273184,2.04191382,12.62191218,3.718014688,3.594519367,4.187284102,5.845944666,2.413945623,2.136106338,0.299841466,0.394270466,2.81E-15,3.86E-51,1.02E-108,5.23E-188,5.15E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.386729296,1.428111147,0.703893705,0.613678645,0.25877513,0.499942131,0.471706179,0.452641149,5.518734148,8.22576174,17.14896639,0.420517968,1.424289459,2.632081025,0.962227954,0.279539302,0.67944866,0.248390717,0.30215781,0.215239139,0.071548406,3.87384828,3.53741256,8.11923939,0.519172991,0.588945355,2.944634488,1.155154754,0.455369274,0.646439521,0.253592658,0.378064502,0.309495361,0.189721175,4.555158517,5.26842658,11.37252757,0.469659281,0.877281038,3.369289434,1.417341939,0.694093551,0.614752516,0.25860483,0.494812127,0.464666785,0.440154389,5.480724924,8.097805186,16.8931289,0.422128773,1.399633301,3.078342327,1.237699468,0.530554605,0.635155493,0.255374982,0.413131834,0.354987253,0.257438498,4.8465964,6.099958509,12.9680012,0.45273324,1.025557586,3.440950459,1.461593827,0.734360897,0.610432559,0.259290121,0.516060529,0.493927718,0.492568516,5.636905183,8.629508771,17.95971462,0.415648839,1.502556763,3.382773534,1.419338542,0.694933673,0.615380277,0.258200242,0.498773581,0.465753811,0.44106958,5.497045749,8.13845024,16.97208163,0.423070415,1.405596973 +UMLKV0028,L,"2,2-DIMETHYLPENTANE",CCCC(C)(C)C,C7H16,Paraffin (non-normal),Alkanes,590-35-2,2.598903667,PubChem,,0.5361,0,1.3819,1.90964761,32.8025,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1410.479624,1071.500644,702.539211,236.216736,27.433728,0,0,3461.958223,4376.887272,6118.039963,6594.369706,4921.080766,2624.766494,839.2610996,0,0,160.279036,159.125208,296.735264,382.051984,493.380588,249.049728,181.398528,0,0,26.63610648,34.55010896,50.80666687,60.14350145,51.08575573,28.04682987,12.00454843,0,0,3846.242925,3210.7269,6665.652931,8481.255853,12567.38918,6084.723595,4992.776605,0,0,38.0625,44.625,68.125,94,92.25,54,27,0,0,44.61329874,48.14991518,33.58284819,19.84260452,9.757489042,6.561576,1.016064,0,0,150.5199227,198.9494215,145.6676182,122.1179575,68.34834397,72.9101804,31.08374443,0,0,6.968653739,7.232964,7.065125333,7.075036741,6.852508167,6.918048,6.718464,0,0,1.158091586,1.570459498,1.209682544,1.113768545,0.709524385,0.779078607,0.444612905,0,0,167.2279533,145.9421318,158.7060222,157.0602936,174.5470719,169.0200999,184.917652,0,0,1.654891304,2.028409091,1.62202381,1.740740741,1.28125,1.5,1,0,0,0.031308089,-0.007806788,0.009954919,-0.035290689,0.018020307,-0.015105076,0.014573283,0,0,589.5388264,-58.58770946,113.0559706,-678.7935401,286.3016583,-259.5252442,302.7794516,0,0,1096.272622,-108.9463475,210.232405,-1262.245573,532.3901592,-482.5982738,563.0313194,0,0,0.115486609,-0.01147693,0.022146888,-0.132970994,0.056084529,-0.050839214,0.059312416,0,0,4.900848691,-0.487040864,0.939836667,-5.642825007,2.380031721,-2.157438826,2.517011964,0,0,26.62148787,-2.645613702,5.10520769,-30.651915,12.92837008,-11.71924194,13.67244894,0,0,3.364130435,-2.02221172,2.519848771,-4.167414934,2.813917769,-2.232986767,1.406781664,0,0,0.001361221,-3.55E-04,2.37E-04,-6.54E-04,2.50E-04,-4.20E-04,5.40E-04,0,0,25.63212289,-2.663077703,2.691808824,-12.57025074,3.976411921,-7.209034562,11.21405376,0,0,47.66402704,-4.952106706,5.005533452,-23.37491802,7.394307767,-13.40550761,20.85301183,0,0,0.005021157,-5.22E-04,5.27E-04,-0.002462426,7.79E-04,-0.0014122,0.002196756,0,0,0.213080378,-0.022138221,0.022377063,-0.104496759,0.033055996,-0.059928856,0.093222665,0,0,1.157455995,-0.120255168,0.121552564,-0.567628056,0.179560696,-0.325534498,0.506386998,0,0,0.146266541,-0.091918715,0.059996399,-0.077174351,0.039082191,-0.06202741,0.052103025,0,0,-0.260687952,0.174124426,-0.480106583,0.183865802,-0.308241911,0.396519835,0,0,-0.103896104,0.105017007,-0.490410053,0.155133929,-0.28125,0.4375,0,0,-0.103896104,0.105017007,-0.490410053,0.155133929,-0.28125,0.4375,0,0,-0.103896104,0.105017007,-0.490410053,0.155133929,-0.28125,0.4375,0,0,-0.103896104,0.105017007,-0.490410053,0.155133929,-0.28125,0.4375,0,0,-0.103896104,0.105017007,-0.490410053,0.155133929,-0.28125,0.4375,0,0,-0.628432956,0.410185399,-0.527628194,0.267198438,-0.424071082,0.356219709,0,0,1.799361069,0.862060939,1.685310403,0.547746638,1.29890239,9.23E-05,0,0,1.642857143,1.075680272,1.673280423,0.564732143,1.129464286,0,0,0,1.642857143,1.075680272,1.673280423,0.564732143,1.129464286,0,0,0,1.642857143,1.075680272,1.673280423,0.564732143,1.129464286,0,0,0,1.642857143,1.075680272,1.673280423,0.564732143,1.129464286,0,0,0,1.642857143,1.075680272,1.673280423,0.564732143,1.129464286,0,0,0,2.229402262,0.428186784,1.843041345,0.383178514,1.634894992,0,0,0,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,36.3946862,18.08067644,27.80994209,36.22801954,5.175431363,18.08067647,-0.233333333,0.127721323,0.018245903,-1.440533189,20.26240464,2.894629234,2.106137027,0,11.89,12.11009426,-0.159452624,0.061766663,5.284182967,8.590248746,6,22,22,22,6,0,0,0,0,0,17.491312,3.559019746,3.043630064,2.333552793,2.333552793,2.205224195,1.392743986,0.464923411,0.083923071,1.936237422,1.635934057,1.249629723,1.249629723,1.112240326,0.645437315,0.083923071,0.083923071,3.583497694,3.085294105,2.405454588,2.405454588,2.27490309,1.498421471,0.569930782,0.270913902,1.879388158,1.553533088,1.134540686,1.134540686,0.99676252,0.498707768,0.270913902,0.270913902,3.692938747,3.266372735,2.704236987,2.704236987,2.567975623,1.924352126,0.966354443,0.943918427,1.715118272,1.301954111,0.76031856,0.76031856,0.623499391,0.001748192,0.943918427,0.943918427,3.601631153,3.1159022,2.457539916,2.457539916,2.325607286,1.574268049,0.643706769,0.399277246,1.843430361,1.500221837,1.058262671,1.058262671,0.92036888,0.399985398,0.399277246,0.399277246,3.747225935,3.352774406,2.838982085,2.838982085,2.701595331,2.108963702,1.207644823,1.207644823,1.664941284,1.220907543,0.631337262,0.631337262,0.496015287,0.17746893,1.124415101,1.207644823,3.573490055,3.16845246,2.612600818,2.612600818,2.395325552,1.641222903,0.628860786,0.571428571,1.85929621,1.429357542,0.898315104,0.898315104,0.820678315,0.298019687,0.571428571,0.571428571,0,0,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.560660172,0.353553391,0,0,0.75,1,0.25,0.75,1,0.25,5.914213562,3.060660172,3.310660172,1,0.75,0,0,0,0.844887652,0.510110029,0.413832521,0.25,0.25,0,0,0,5.914213562,3.060660172,3.310660172,1,0.75,0,0,0,0.844887652,0.510110029,0.413832521,0.25,0.25,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,38,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,9.050347222,0,2.649305556,0,0,0,0,0,0,0,0,0,0.550347222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.227430556,0,1.309027778,0,0,0,0,0,0,0,0,0,0.550347222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.274305556,0,1.340277778,0,0,0,0,0,0,0,0,0,0.550347222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.25,1.75,0.2,2.274305556,0,0.550347222,5.321550347,0.699652778,0.274305556,2.100694444,0.699652778,0.274305556,2.100694444,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.57143,0,0.14286,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.77542,1.11077,7.77542,0,0,3.06066,0.43724,3.06066,0,0,0.35334,0.05048,0.35334,0.05048,0,6,0,0,0,0,0,0,1,0.886540893,1.306170652,2.098586412,2.608818477,2.499098392,1.799348487,20.39044053,30.04192499,48.26748748,60.00282497,57.47926302,41.38501519,0.195982923,0.288748262,0.463923437,0.576717751,0.55246251,0.397772486,3.637021063,3.217391304,2.424975544,1.914743479,2.024463564,2.724213469,0.19880132,0.292900702,0.470595043,0.585011432,0.560407381,0.403492786,6.634953582,11.67051069,14.97587471,14.53425805,13.21761703,8.188584212,27.76507516,21.21742031,19.25152915,20.07882979,17.58212912,14.60921646,7,2.34375,6,7,0,5,2.23,1.0949,2.121320344,3.746748298,0,3.039342743,1,0,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,2.855,8,4,3,0,0,0,0,0,0,28,1.945910149,2.197224577,1.609437912,1.386294361,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,3,0.666666667,0.375,0,0,0,0,0,0,0,0.5,0.083333333,0.09375,0,0,0,0,0,0,0,0.677083333,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,0,129.6283511,3.807354922,3.36729583,3.970291914,4.812184355,5.433722004,6.285998095,6.91274282,7.767687277,8.395929104,9.25157828,69.19742968,2.564949357,0,3.80666249,0,5.198497031,0,6.650279049,0,8.123557835,8.386628821,100.1252005,4.353269587,12.44898539,1.778426484,0,0,0,46,4,4.299,28,1.224818182,2.110039005,2.925391863,3.444940648,4.267175979,5.232313993,0,0,0,0,69.72220731,81.39693149,62.85969375,40.55503078,31.45493156,5.316365885,0,0,0,0,268.787596,337.4239973,370.6491673,256.7087877,337.1835545,162.6399109,0,0,0,0,8.893455721,14.97568724,20.72627454,23.66040965,29.64489348,35.1531132,0,0,0,0,2.059771149,2.735845826,3.339002704,2.578335402,3.53287855,2.326354323,0,0,0,0,176.6115071,329.9879212,457.3961271,597.3414425,711.3323912,967.5472182,0,0,0,0,2.530176136,3.592634557,5.157394396,4.556317719,6.712325108,5.232313993,0,0,0,0,0.427911136,0.575376064,0.713318333,0.5638878,0.77341134,0.535788953,0,0,0,0,362.9564459,140.4495827,8.674593963,142.8397749,-55.27326214,-8.668901582,220.116671,195.7228448,17.34349554,0.717594223,0.277680174,0.017150373,0.282405777,-0.109279706,-0.017139119,183.5819987,71.03886815,4.387576844,72.24781835,-27.9570071,-4.384697659,0.069842332,0.168646627,1.330292731,10.97867762,505.7962209,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,633.543587,25.17029176,8.588661762,1.463026135,1.205835205,343.0854036,339.6463059,121.6553363,1.010125527,2.820142659,2.791873469,3.897399416,3.220218461,6.42424645,0.994972244,4.462408855,5.691253305,2.782204597,20.12272941,4.123250571,6.332667077,7.623546394,9.21635197,4.238703442,6.841985068,1.605890969,1.126710556,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690852363,0.151666599,8.617090788,1.027190268,0.179954175,0.370290182,0.507237778,1.057461171,0.085333591,0.01131149,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690879785,0.543514798,10.47213388,1.254393886,0.812478757,1.174393029,1.732432441,1.432442169,0.597595505,0.117866056,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691209508,2.569833129,19.24377743,3.790518363,5.735472874,6.940204694,8.487722537,3.946884091,6.121662003,1.430820678,1.00387882,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690914767,0.855589699,11.89209407,1.530546132,1.431780082,1.927233873,2.737545153,1.771323486,1.206652169,0.256018195,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691437324,3.626803976,23.57532116,5.517793769,8.794203131,10.42536321,12.13607316,5.42939028,9.857235741,2.34203757,1.643201455,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.732087054,4.529584755,1.126305987,14.49598461,2.036862164,2.638297077,2.987885591,3.999831076,2.721530226,2.391882386,0.524377099,0.367905488,2.62E-15,3.60E-51,9.54E-109,4.88E-188,4.81E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.515230743,1.123595985,1.083373056,0.614314578,0.19635735,0.492756445,0.467591148,0.472182244,5.722199784,8.975279038,18.97647646,0.421471866,1.432529836,2.802221418,0.624749326,0.590249565,0.697552338,0.155517815,0.313039937,0.144485987,0.140160276,4.017220309,3.773453934,8.82401586,0.546328507,0.5976862,3.097542806,0.831377589,0.794500868,0.655783728,0.176011739,0.382546796,0.255927656,0.253946565,4.723421263,5.696758334,12.46620022,0.483675592,0.892421018,3.498754302,1.112069446,1.071978197,0.615674158,0.19569034,0.488144785,0.458041982,0.462301706,5.682801946,8.83356029,18.68727692,0.423511237,1.408488473,3.223872632,0.9197622,0.88187159,0.641502042,0.183018809,0.414408526,0.313265435,0.312870269,5.025506422,6.619350023,14.25977872,0.462253063,1.04054423,3.566456309,1.159431947,1.118799777,0.610204734,0.198373624,0.507232827,0.497909103,0.503568242,5.844688033,9.422386108,19.89338213,0.415307102,1.508710172,3.507982808,1.114254762,1.075002078,0.615733763,0.195578005,0.490732959,0.459857886,0.464913544,5.697239647,8.877701539,18.77689485,0.423600645,1.415504389 +UMLKV0029,L,"2,3-DIMETHYLPENTANE",CCC(C)C(C)C,C7H16,Paraffin (non-normal),Alkanes,565-59-3,2.60307797,PubChem,,0.533,0,0.4696,0.22052416,31.6134,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1289.413615,1247.086518,705.420914,187.959744,18.289152,0,0,3461.958223,4376.887272,5892.91255,6542.707301,5420.034116,2682.356663,559.5073998,0,0,160.279036,159.125208,296.711548,379.704408,437.680712,367.587072,120.932352,0,0,26.63610648,34.55010896,49.80024258,58.14276159,54.10499216,32.03627372,8.003032287,0,0,3846.242925,3210.7269,6660.186019,8682.960304,10516.12215,9604.011958,3328.517736,0,0,37.80555556,44.44444444,66,87.33333333,96,66,18,0,0,44.61329874,48.14991518,30.70032417,23.09419478,11.19715737,3.480736,1.016064,0,0,150.5199227,198.9494215,140.3074417,121.1612463,86.03228755,49.67327153,31.08374443,0,0,6.968653739,7.232964,7.064560667,7.031563111,6.947312889,6.807168,6.718464,0,0,1.158091586,1.570459498,1.185720062,1.076717807,0.858809399,0.593264328,0.444612905,0,0,167.2279533,145.9421318,158.5758576,160.7955612,166.9225738,177.8520733,184.917652,0,0,1.643719807,2.02020202,1.571428571,1.617283951,1.523809524,1.222222222,1,0,0,0.031819436,-0.007326065,-7.18E-04,-0.005132311,-0.0185107,0.006219816,0.009557796,0,0,589.5388264,-58.58770946,-8.010038403,-215.5844622,-377.8449544,163.4047834,201.8529677,0,0,1096.272622,-108.9463475,-14.89500845,-400.8885132,-702.6188272,303.8581724,375.354213,0,0,0.115486609,-0.01147693,-0.001569112,-0.042231516,-0.074017233,0.032009875,0.039541611,0,0,4.900848691,-0.487040864,-0.066587618,-1.792158178,-3.14103307,1.358387409,1.678007976,0,0,26.62148787,-2.645613702,-0.361704998,-9.735031668,-17.06214149,7.378781965,9.114965957,0,0,3.311594203,-1.754568368,0.402016383,0.543793321,-1.784656585,0.029300567,0.90831758,0,0,0.001383454,-3.33E-04,-1.71E-05,-9.50E-05,-2.94E-04,1.15E-04,5.31E-04,0,0,25.63212289,-2.663077703,-0.1907152,-3.992304855,-5.997538958,3.026014508,11.21405376,0,0,47.66402704,-4.952106706,-0.354643058,-7.423861355,-11.1526798,5.627003192,20.85301183,0,0,0.005021157,-5.22E-04,-3.74E-05,-7.82E-04,-0.001174877,5.93E-04,0.002196756,0,0,0.213080378,-0.022138221,-0.001585419,-0.033188114,-0.049857668,0.025155322,0.093222665,0,0,1.157455995,-0.120255168,-0.008612024,-0.180278364,-0.270827643,0.13664411,0.506386998,0,0,0.143982357,-0.079753108,0.009571819,0.010070247,-0.028327882,5.43E-04,0.050462088,0,0,-0.240704067,-0.012361315,-0.068699657,-0.212381971,0.083256697,0.38381382,0,0,-0.103896104,-0.007440476,-0.155753968,-0.233985261,0.118055556,0.4375,0,0,-0.103896104,-0.007440476,-0.155753968,-0.233985261,0.118055556,0.4375,0,0,-0.103896104,-0.007440476,-0.155753968,-0.233985261,0.118055556,0.4375,0,0,-0.103896104,-0.007440476,-0.155753968,-0.233985261,0.118055556,0.4375,0,0,-0.103896104,-0.007440476,-0.155753968,-0.233985261,0.118055556,0.4375,0,0,-0.553908892,0.066479108,0.069940838,-0.196745511,0.003768539,0.350474106,0,0,1.779126246,1.045180029,1.15074343,1.215252463,0.578893642,1.97E-05,0,0,1.642857143,1.183248299,1.254960317,1.14739229,0.501984127,0,0,0,1.642857143,1.183248299,1.254960317,1.14739229,0.501984127,0,0,0,1.642857143,1.183248299,1.254960317,1.14739229,0.501984127,0,0,0,1.642857143,1.183248299,1.254960317,1.14739229,0.501984127,0,0,0,1.642857143,1.183248299,1.254960317,1.14739229,0.501984127,0,0,0,2.164113786,0.75132854,0.953440311,1.309332778,0.738147338,0,0,0,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36.66771569,18.2128261,27.50219345,36.49481319,5.213544742,18.21282612,-0.242063492,0.031648572,0.004521225,-2.417143579,25.31665866,3.616665523,2.262023837,0,11.89,12.11009426,-0.163409124,0.057468363,5.441367979,8.270756013,6,22,22,22,6,0,0,0,0,0,17.491312,3.547091456,3.006727816,2.625332469,2.333552793,1.853163973,1.373147991,0.818880303,0.083923071,1.933625663,1.614659685,1.400273545,1.249629723,0.899030164,0.579772508,0.29344402,0.083923071,3.572575547,3.049614047,2.683051633,2.405454588,1.937022925,1.473944507,0.950986794,0.270913902,1.876026464,1.530418028,1.298376168,1.134540686,0.770731171,0.437160388,0.128999822,0.270913902,3.685697279,3.235898148,2.928576466,2.704236987,2.28293488,1.882095956,1.467025567,0.943918427,1.708478401,1.272462707,0.975707696,0.76031856,0.347249146,0.043413613,0.441766602,0.943918427,3.591408314,3.081117918,2.725184981,2.457539916,1.997659662,1.546401872,1.044765816,0.399277246,1.839505092,1.475848305,1.231499507,1.058262671,0.685210023,0.341388863,0.0174233,0.399277246,3.741381865,3.32465606,3.042370063,2.838982085,2.437090457,2.059937866,1.683446735,1.207644823,1.656875508,1.189153554,0.867806618,0.631337262,0.199017248,0.215751764,0.654087056,1.207644823,3.556661354,3.149113765,2.852668766,2.61879123,2.081679667,1.600884837,1.130589446,0.575342466,1.861756535,1.392574014,1.093101619,0.892763832,0.572621593,0.250751474,0.100577264,0.575342466,0,0,0,0,0,4,1,2,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.569035594,0,0.23570226,0,1.276142375,0.707106781,0.23570226,1.276142375,0.707106781,0.23570226,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.6885,34.293,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,4,0,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,9.081018519,0,1.31712963,0,0,0,1.768518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.240740741,0,1.31712963,0,0,0,0.865740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.296296296,0,1.31712963,0,0,0,0.902777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.16666667,1.738095238,0.2,2.296296296,0.2,0.865740741,5.309476852,0.467592593,0.296296296,2.162037037,0.467592593,0.296296296,2.162037037,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.57143,0.28571,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.55695,1.07956,7.55695,0,0,3.18073,0.45439,3.18073,0,0,0.23327,0.03332,0.23327,0.03332,0,6,0,0,0,0,0,0,1,0.886540893,1.306170652,2.272499456,2.782731521,2.782982088,2.278459357,20.39044053,30.04192499,52.26748748,64.00282497,64.00858803,52.4045652,0.195982923,0.288748262,0.502369477,0.615163791,0.615219182,0.503687001,3.637021063,3.217391304,2.2510625,1.740830436,1.740579868,2.2451026,0.19880132,0.292900702,0.509593968,0.624010358,0.624066546,0.510930439,6.634953582,11.67051069,15.15114862,15.66537327,14.82033975,7.826158094,27.76507516,21.21742031,18.72159455,18.5427486,15.32960231,11.000393,7,3.06122449,2.666666667,7,0,5,2.23,1.0949,1.944161297,1.941967087,4.930998067,0,0,1.414213562,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,2.811,7,6,2,0,0,0,0,0,0,28,1.945910149,2.079441542,1.945910149,1.098612289,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,2,1.111111111,0.25,0,0,0,0,0,0,0,0.333333333,0.158730159,0.041666667,0,0,0,0,0,0,0,0.533730159,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,0,129.6283511,3.807354922,3.295836866,3.970291914,4.691347882,5.398162702,6.120297419,6.834108739,7.556427969,8.272059622,8.994296558,68.13282967,2.564949357,0,3.713572067,0,5.056245805,0,6.463029457,0,7.890956716,8.168486417,100.1252005,4.353269587,12.50524286,1.786463266,0,0,0,46,6,4.201,26,1.224818182,2.110657079,2.894505449,3.511633513,4.185783688,5.352201744,0,0,0,0,69.72220731,74.05869283,74.56712261,45.48046627,16.59196324,5.438179512,0,0,0,0,268.787596,322.8305105,372.2390591,323.9122253,223.1749698,166.3664711,0,0,0,0,8.893455721,14.97231911,20.39963401,24.46277228,28.56611771,35.95857474,0,0,0,0,2.059771149,2.666275448,3.246447642,3.161677674,2.605250183,2.379657965,0,0,0,0,176.6115071,330.2656746,462.0932757,581.1491615,738.6527364,989.7165796,0,0,0,0,2.523888889,3.443557609,4.803360557,5.514555883,5.298299459,5.352201744,0,0,0,0,0.427911136,0.562382111,0.691176692,0.685527963,0.58170642,0.548065459,0,0,0,0,362.7794696,141.3189035,8.686955574,130.4490063,-50.81574917,-7.82937436,232.3304633,192.1346527,16.51632993,0.735520124,0.286518136,0.017612437,0.264479876,-0.103026795,-0.015873727,178.9331648,69.70250739,4.284653857,64.34116453,-25.06377451,-3.861670382,0.076653362,0.166681099,1.217533687,9.498315139,493.2284758,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,629.2361872,25.08458067,8.569152997,1.356712851,1.205835205,381.1611578,287.3251537,129.8528154,1.326584717,2.935332259,2.212698684,3.89945406,3.220218461,6.42424645,0.994972244,4.462408855,5.691170425,2.670859423,23.44903725,6.568018348,4.460822489,7.840284493,15.46295756,5.403743144,5.57390701,0.884220332,1.126710553,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851779,0.160901199,7.713112089,1.533703778,0.102791063,0.6539462,0.741540241,1.016461953,0.07636488,0.006228704,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690873702,0.561082962,9.930973606,1.884584279,0.51069496,1.816010774,2.720038211,1.391533131,0.504429319,0.064899514,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691135664,2.477525131,22.13398855,6.020416409,4.023630434,7.292506695,14.1985964,4.951033146,4.991801439,0.787825132,1.003878818,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690901554,0.869096106,11.74865753,2.326388017,0.93372398,2.704239123,4.38299142,1.803544999,1.004375125,0.140967789,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691316452,3.431738913,28.71740714,8.867368033,6.27302031,9.990898028,20.55662075,7.288983235,8.007985494,1.289548769,1.643201451,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.738867285,4.639785482,1.180010206,14.29610882,3.50990534,1.78101957,4.220876504,7.072385979,2.932730792,2.004840631,0.292698288,0.372962547,2.66E-15,3.65E-51,9.67E-109,4.94E-188,4.87E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.409035317,1.704461349,0.582939676,0.598450525,0.299215377,0.518520097,0.512568309,0.476247191,5.696436342,8.791429024,17.87507654,0.397675787,1.507335596,2.689902903,1.117151704,0.179997962,0.674659503,0.280194877,0.322129938,0.218919599,0.045698738,3.987052569,3.690291683,8.218243458,0.511989254,0.586748274,2.987733602,1.360420251,0.346923927,0.636354442,0.289754572,0.397779233,0.325459557,0.16928563,4.695077779,5.573051905,11.67822741,0.454531663,0.89252442,3.39241501,1.690890645,0.573631075,0.599691171,0.298905702,0.513451681,0.504376318,0.461220994,5.656936731,8.652144896,17.59954581,0.399536756,1.479048993,3.115148846,1.464478904,0.418315533,0.623286154,0.293016311,0.432596856,0.377539683,0.245848303,4.997943284,6.477799193,13.38412713,0.434929231,1.055984842,3.460708812,1.746652595,0.611879594,0.594701063,0.300151273,0.534438361,0.538463761,0.5244895,5.819241002,9.230934212,18.74877689,0.392051595,1.597391623,3.402482445,1.696238688,0.573949136,0.599802612,0.29901944,0.516598301,0.507803524,0.461558273,5.672670269,8.697828948,17.68300209,0.399703918,1.485960099 +UMLKV0030,L,"2,4-DIMETHYLPENTANE",CC(C)CC(C)C,C7H16,Paraffin (non-normal),Alkanes,108-08-7,2.603368154,PubChem,,0.5265,0,1.2082,1.45974724,33.401,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1289.413615,1004.9545,814.460644,302.76288,36.578304,0,0,3461.958223,4376.887272,5892.91255,6092.452474,4866.454479,3126.683726,1119.0148,0,0,160.279036,159.125208,296.711548,379.656976,432.938128,251.444736,241.864704,0,0,26.63610648,34.55010896,49.80024258,56.12991302,48.09066387,32.0604183,16.00606457,0,0,3846.242925,3210.7269,6660.186019,8672.026479,10908.59722,5893.952969,6657.035473,0,0,37.80555556,44.33333333,67.11111111,87.33333333,83,60,36,0,0,44.61329874,48.14991518,30.70032417,18.61026852,12.92794673,8.41008,1.016064,0,0,150.5199227,198.9494215,140.3074417,112.823194,77.2453092,86.85232572,31.08374443,0,0,6.968653739,7.232964,7.064560667,7.030684741,6.872033778,6.984576,6.718464,0,0,1.158091586,1.570459498,1.185720062,1.039442834,0.763343871,0.890567175,0.444612905,0,0,167.2279533,145.9421318,158.5758576,160.5930829,173.1523369,163.7209158,184.917652,0,0,1.643719807,2.015151515,1.597883598,1.617283951,1.317460317,1.666666667,1,0,0,0.031809221,-0.006716478,0.001197502,-0.024035702,0.020938684,-0.026591974,0.019303359,0,0,589.5388264,-58.58770946,-8.010038403,-457.7164802,306.4411835,-480.6023042,403.7059355,0,0,1096.272622,-108.9463475,-14.89500845,-851.14334,569.8404662,-893.700507,750.7084259,0,0,0.115486609,-0.01147693,-0.001569112,-0.089663516,0.060029724,-0.094146692,0.079083221,0,0,4.900848691,-0.487040864,-0.066587618,-3.805006748,2.547452018,-3.995257085,3.356015952,0,0,26.62148787,-2.645613702,-0.361704998,-20.66885705,13.83779979,-21.7022999,18.22993191,0,0,3.311594203,-1.865679479,1.513127494,-3.130119723,3.584908633,-3.574669187,1.816635161,0,0,0.00138301,-3.05E-04,2.85E-05,-4.45E-04,3.32E-04,-7.39E-04,5.36E-04,0,0,25.63212289,-2.663077703,-0.1907152,-8.476231114,4.864145769,-13.350064,11.21405376,0,0,47.66402704,-4.952106706,-0.354643058,-15.7619137,9.045086764,-24.82501408,20.85301183,0,0,0.005021157,-5.22E-04,-3.74E-05,-0.001660435,9.53E-04,-0.002615186,0.002196756,0,0,0.213080378,-0.022138221,-0.001585419,-0.070463088,0.040435746,-0.110979363,0.093222665,0,0,1.157455995,-0.120255168,-0.008612024,-0.382756612,0.219647616,-0.602841664,0.506386998,0,0,0.143982357,-0.084803613,0.036026845,-0.05796518,0.056903312,-0.099296366,0.050462088,0,0,-0.220746452,0.020615871,-0.321838399,0.240316525,-0.534100375,0.387708371,0,0,-0.103896104,-0.007440476,-0.330687831,0.189767574,-0.520833333,0.4375,0,0,-0.103896104,-0.007440476,-0.330687831,0.189767574,-0.520833333,0.4375,0,0,-0.103896104,-0.007440476,-0.330687831,0.189767574,-0.520833333,0.4375,0,0,-0.103896104,-0.007440476,-0.330687831,0.189767574,-0.520833333,0.4375,0,0,-0.103896104,-0.007440476,-0.330687831,0.189767574,-0.520833333,0.4375,0,0,-0.588986142,0.250217082,-0.402585299,0.395210309,-0.689642597,0.350474106,0,0,1.758171921,1.032756391,1.446890374,0.503049927,1.697783992,0,0,0,1.642857143,1.183248299,1.42228836,0.573696145,1.505952381,0,0,0,1.642857143,1.183248299,1.42228836,0.573696145,1.505952381,0,0,0,1.642857143,1.183248299,1.42228836,0.573696145,1.505952381,0,0,0,1.642857143,1.183248299,1.42228836,0.573696145,1.505952381,0,0,0,1.642857143,1.183248299,1.42228836,0.573696145,1.505952381,0,0,0,2.197665937,0.575579174,1.537806954,0.281198986,2.214442013,0,0,0,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,37.48986374,18.62390012,29.28763257,37.31696124,5.330994463,18.62390014,-0.242063492,1.67E-16,2.38E-17,-25.43193482,2000010.202,285715.7432,10.15606399,0,11.89,12.11009426,-0.164615304,0.056093615,5.749051432,7.648782394,6,22,22,22,6,0,0,0,0,0,17.491312,3.526648257,3.112599877,2.333552793,2.333552793,2.181727047,1.162837791,0.902587011,0.083923071,1.926688276,1.667247237,1.249629723,1.249629723,1.084438741,0.440344289,0.348066086,0.083923071,3.553367324,3.150713835,2.405454588,2.405454588,2.250821456,1.269690916,1.031979376,0.270913902,1.867720858,1.58857667,1.134540686,1.134540686,0.969245257,0.290000277,0.186460336,0.270913902,3.67134812,3.318028628,2.704236987,2.704236987,2.542033557,1.702702127,1.537209272,0.943918427,1.694987868,1.351217995,0.76031856,0.76031856,0.597291919,0.218324093,0.373444117,0.943918427,3.573079272,3.178805544,2.457539916,2.457539916,2.301138919,1.346550641,1.123795185,0.399277246,1.83022888,1.537907807,1.058262671,1.058262671,0.893065587,0.188893887,0.076887173,0.399277246,3.729063388,3.398793114,2.838982085,2.838982085,2.67505104,1.891182114,1.749263129,1.207644823,1.641383456,1.275766962,0.631337262,0.631337262,0.470453387,0.40108138,0.581393754,1.207644823,3.544875463,3.234857964,2.61879123,2.61879123,2.361003522,1.396934638,1.208461479,0.575342466,1.845944923,1.466086296,0.892763832,0.892763832,0.800329812,0.097213156,0.038783586,0.575342466,0,0,0,0,0,4,1,2,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.816496581,0,0,0,0.471404521,0.942809042,0.23570226,0.471404521,0.942809042,0.23570226,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.6885,34.293,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,38,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,4,0,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,9.055555556,0,1.361111111,0,0,0,1.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.263888889,0,1.361111111,0,0,0,0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.263888889,0,1.361111111,0,0,0,0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.16666667,1.738095238,0.2,2.263888889,0.2,0.875,5.311805556,0.458333333,0.263888889,2.111111111,0.458333333,0.263888889,2.111111111,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.57143,0.28571,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.47656,1.06808,7.47656,0,0,3.12588,0.44655,3.12588,0,0,0.28812,0.04116,0.28812,0.04116,0,6,0,0,0,0,0,0,1,0.886540893,1.306170652,2.044451086,2.044451086,1.847774479,1.234981096,20.39044053,30.04192499,47.02237498,47.02237498,42.49881302,28.4045652,0.195982923,0.288748262,0.451956026,0.451956026,0.408477765,0.273010762,3.637021063,3.217391304,2.47911087,2.47911087,2.675787477,3.28858086,0.19880132,0.292900702,0.45845553,0.45845553,0.414352016,0.276936884,6.634953582,11.67051069,12.41456819,12.41456819,10.05444891,6.068894352,27.76507516,21.21742031,22.49198364,22.49198364,21.311924,17.02237031,7,3.06122449,6,7,0,5,2.23,1.0949,1.889881575,2,4.618802154,0,0,2,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,2.811,7,4,4,0,0,0,0,0,0,28,1.945910149,2.079441542,1.609437912,1.609437912,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,2.5,0.444444444,0.5,0,0,0,0,0,0,0,0.416666667,0.063492063,0.125,0,0,0,0,0,0,0,0.60515873,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,0,129.6283511,3.807354922,3.295836866,3.891820298,4.65396035,5.262690189,6.033086222,6.64509097,7.417580402,8.030409562,8.803424212,67.03389907,2.564949357,0,3.713572067,0,4.976733742,0,6.300785795,0,7.655864018,7.958576904,100.1252005,4.353269587,12.50916243,1.787023205,0,0,0,48,4,4.201,26,1.224818182,2.110657079,2.894964612,3.459229516,4.302684992,4.961617097,0,0,0,0,69.72220731,74.05869283,59.19211135,52.69936513,38.59170013,5.041320514,0,0,0,0,268.787596,322.8305105,342.2742041,291.6801335,391.8435021,154.2256378,0,0,0,0,8.893455721,14.97231911,20.39096586,23.83418797,30.13901462,33.33444585,0,0,0,0,2.059771149,2.666275448,3.106136598,2.795064771,3.976929202,2.20599899,0,0,0,0,176.6115071,330.2656746,462.1949756,594.3973487,697.5427907,917.4905839,0,0,0,0,2.51619697,3.51717407,4.759650394,4.723785449,7.388053557,4.961617097,0,0,0,0,0.427911136,0.562382111,0.66508454,0.606794077,0.865141658,0.508069591,0,0,0,0,372.2477062,145.3219568,8.886691416,126.2977843,-49.3054513,-7.265832583,245.949922,194.6274081,16.152524,0.746667482,0.291491869,0.017825237,0.253332518,-0.098898601,-0.014574061,185.5824153,72.44960624,4.430419931,62.9651908,-24.5810104,-3.622348069,0.075294283,0.160214534,0.926109052,9.165087944,498.5454905,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,621.903098,24.93798504,8.53573467,1.404310375,1.404310375,364.3162779,345.2860334,119.0552266,1.055114434,3.060061184,2.900217346,3.933228778,3.22022378,6.424248771,0.99496967,4.462408855,5.691203506,2.797575608,18.20912219,5.988481935,11.66874289,6.912930956,12.27598257,4.238511116,6.905147207,1.605945921,1.126710556,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690852012,0.161793675,7.555440401,1.037894845,1.451060902,0.365282501,0.592520706,1.057460219,0.085778441,0.011311877,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.69087613,0.570383221,9.236120945,1.385042008,2.796094472,1.12223083,2.120727855,1.432429087,0.602231232,0.117870089,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691165138,2.590426972,17.38216366,5.450731076,10.78121932,6.307057247,11.25767979,3.946713009,6.177938327,1.430869639,1.00387882,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690906828,0.889297504,10.5365233,1.82031689,3.939321228,1.813937363,3.424147263,1.77129408,1.216721603,0.256026956,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691364698,3.61654255,21.46939034,8.245992229,15.25232951,9.389006307,16.39038951,5.429108477,9.949351807,2.342117712,1.643201455,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.738867285,4.604911638,1.19467072,12.63472009,2.562279929,6.564074637,2.716960672,5.292805327,2.758877206,2.445667946,0.531603137,0.372962548,2.66E-15,3.65E-51,9.67E-109,4.94E-188,4.87E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.656836928,1.197544226,0.973051922,0.627521051,0.205501155,0.559765397,0.460760999,0.513176981,5.827433076,9.102788859,19.19143421,0.441281576,1.533703376,2.948910444,0.689539164,0.49941062,0.712665552,0.166641483,0.363378354,0.152760287,0.135108822,4.137860228,3.850469617,9.003826027,0.568998328,0.651247463,3.242065491,0.899954401,0.69565988,0.670169512,0.186030172,0.439538892,0.260215762,0.26227935,4.837679771,5.799148164,12.66656249,0.505254268,0.962034003,3.640472539,1.185805491,0.962113216,0.628926481,0.20485925,0.554744762,0.4517722,0.5017084,5.788391246,8.960318203,18.90204861,0.443389722,1.508225362,3.367495969,0.989961812,0.779577431,0.655532974,0.192710731,0.474353962,0.314868687,0.329401207,5.137035212,6.730668153,14.46657473,0.483299461,1.118623856,3.707715601,1.234040061,1.007058827,0.623269663,0.207443023,0.57552068,0.489272838,0.549655412,5.948814489,9.552108247,20.10868977,0.434904494,1.61444893,3.651244979,1.188645525,0.964571619,0.629041055,0.204781339,0.558076426,0.453938803,0.504266288,5.804462123,9.008457023,18.9991947,0.443561583,1.516281517 +UMLKV0031,L,"3,3-DIMETHYLPENTANE",CCC(C)(C)CC,C7H16,Paraffin (non-normal),heptanes,562-49-2,2.598436492,PubChem,,0.5625,0,1.528,2.334784,34.3257,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1410.479624,1313.632662,593.499481,121.4136,9.144576,0,0,3461.958223,4376.887272,6118.039963,7044.624533,5474.660402,2180.439431,279.7536999,0,0,160.279036,159.125208,296.735264,382.099416,498.123172,365.192064,60.466176,0,0,26.63610648,34.55010896,50.80666687,62.15635002,57.10008402,28.02268529,4.001516144,0,0,3846.242925,3210.7269,6665.652931,8492.189678,12174.9141,9794.782583,1664.258868,0,0,38.0625,44.75,66.75,93.5,106,60,9,0,0,44.61329874,48.14991518,33.58284819,24.32653078,8.243048347,2.2484,1.016064,0,0,150.5199227,198.9494215,145.6676182,130.4560099,76.03695003,40.37850798,31.08374443,0,0,6.968653739,7.232964,7.065125333,7.075915111,6.918377389,6.762816,6.718464,0,0,1.158091586,1.570459498,1.209682544,1.151043519,0.793056722,0.518938617,0.444612905,0,0,167.2279533,145.9421318,158.7060222,157.2627718,169.0960292,181.3848627,184.917652,0,0,1.654891304,2.034090909,1.589285714,1.731481481,1.472222222,1.111111111,1,0,0,0.031306772,-0.008413449,0.008081882,-0.016402808,-0.021579506,0.017901895,0.004758601,0,0,589.5388264,-58.58770946,113.0559706,-436.6615221,-397.9844795,384.4818433,100.9264839,0,0,1096.272622,-108.9463475,210.232405,-811.9907464,-740.0691342,714.9604056,187.6771065,0,0,0.115486609,-0.01147693,0.022146888,-0.085538994,-0.077962427,0.075317353,0.019770805,0,0,4.900848691,-0.487040864,0.939836667,-3.629976438,-3.308453367,3.196205668,0.839003988,0,0,26.62148787,-2.645613702,5.10520769,-19.71808962,-17.9715712,17.36183992,4.557482978,0,0,3.364130435,-1.89721172,1.144848771,-0.061436673,-2.781190926,1.44399811,0.468927221,0,0,0.001361164,-3.82E-04,1.92E-04,-3.04E-04,-3.00E-04,3.32E-04,5.29E-04,0,0,25.63212289,-2.663077703,2.691808824,-8.086324483,-5.527562215,7.120034136,11.21405376,0,0,47.66402704,-4.952106706,5.005533452,-15.03686567,-10.27873797,13.24000751,20.85301183,0,0,0.005021157,-5.22E-04,5.27E-04,-0.001584055,-0.001082811,0.001394766,0.002196756,0,0,0.213080378,-0.022138221,0.022377063,-0.067221786,-0.045950741,0.059188994,0.093222665,0,0,1.157455995,-0.120255168,0.121552564,-0.365149808,-0.249605156,0.321515554,0.506386998,0,0,0.146266541,-0.086236896,0.027258304,-0.001137716,-0.038627652,0.026740706,0.052103025,0,0,-0.280957707,0.141368531,-0.223158782,-0.220190485,0.243553729,0.388442115,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.589587311,0.186360489,-0.007778376,-0.264090827,0.182821756,0.356219709,0,0,1.820571573,0.87386498,1.385409186,1.182266495,0.302033566,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,2.192245557,0.642280175,1.142912703,1.339705618,0.363309998,0,0,0,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,35.39635054,17.5815086,25.27166631,35.22968387,5.032811982,17.58150865,-0.233333333,1.22E-15,1.74E-16,-24.03723371,4000004.07,571429.1528,10.64126416,0,11.89,12.11009426,-0.167985522,0.052561797,5.591467234,8.899502724,6,22,22,22,6,0,0,0,0,0,17.491312,3.574978343,2.902564078,2.685171409,2.333552793,1.799662052,1.598026915,0.443021474,0.083923071,1.942186947,1.563026335,1.43543247,1.249629723,0.873444649,0.769718516,0.083923071,0.083923071,3.598605629,2.950308951,2.74069663,2.405454588,1.886405282,1.695309721,0.55220905,0.270913902,1.886429748,1.473453684,1.336134217,1.134540686,0.74261092,0.630337185,0.270913902,0.270913902,3.704581195,3.155598408,2.977445718,2.704236987,2.243010376,2.090117344,0.964952634,0.943918427,1.726127666,1.195492746,1.023013433,0.76031856,0.309093543,0.162386152,0.943918427,0.943918427,3.616126269,2.985267979,2.781255866,2.457539916,1.949059228,1.765276817,0.628971729,0.399277246,1.85123465,1.415133181,1.271070023,1.058262671,0.655276683,0.536857124,0.399277246,0.399277246,3.757360594,3.252217518,3.087536905,2.838982085,2.401293357,2.26277616,1.207644823,1.207644823,1.677416459,1.104407163,0.918752736,0.631337262,0.156681707,0.004703131,1.129594515,1.207644823,3.577637728,3.061422362,2.899211901,2.612600818,2.030943263,1.838196629,0.625239344,0.571428571,1.875379131,1.325313653,1.140967173,0.898315104,0.545257359,0.431448195,0.571428571,0.571428571,0,0,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,0,0,1.207106781,0.25,0,0,1.207106781,0.25,0,0,1.707106781,1,0,1.707106781,1,0,5.914213562,3.121320344,2.871320344,1.914213562,0.25,0,0,0,0.844887652,0.520220057,0.358915043,0.319035594,0.25,0,0,0,5.914213562,3.121320344,2.871320344,1.914213562,0.25,0,0,0,0.844887652,0.520220057,0.358915043,0.319035594,0.25,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,34,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,9.076388889,0,2.590277778,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.239583333,0,1.295138889,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.298611111,0,1.295138889,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.25,1.75,0.2,2.298611111,0,0.583333333,5.312430556,0.666666667,0.298611111,2.152777778,0.666666667,0.298611111,2.152777778,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.57143,0,0.14286,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.84027,1.12004,7.84027,0,0,3.12132,0.4459,3.12132,0,0,0.29268,0.04181,0.29268,0.04181,0,6,0,0,0,0,0,0,1,0.886540893,1.306170652,2.044451086,2.566190217,2.36951361,1.756720226,20.39044053,30.04192499,47.02237498,59.02237498,54.49881302,40.4045652,0.195982923,0.288748262,0.451956026,0.567294146,0.523815885,0.388348882,3.637021063,3.217391304,2.47911087,1.95737174,2.154048346,2.76684173,0.19880132,0.292900702,0.45845553,0.575452308,0.531348793,0.393933662,6.634953582,11.67051069,14.32625079,14.85207255,12.49195327,5.138432664,27.76507516,21.21742031,19.84231067,20.03452107,18.85446143,11.50094083,7,2.34375,2.666666667,7,0,5,2.23,1.0949,2.039648903,4.298279727,0,2.828427125,0.5,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,2.855,8,6,1,0,0,0,0,0,0,28,1.945910149,2.197224577,1.945910149,0.693147181,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,3,1.111111111,0.125,0,0,0,0,0,0,0,0.5,0.138888889,0.020833333,0,0,0,0,0,0,0,0.659722222,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,0,129.6283511,3.807354922,3.36729583,4.043051268,4.844187086,5.549076085,6.354370041,7.063903961,7.870547845,8.580918882,9.387900612,70.06125161,2.564949357,0,3.80666249,0,5.262690189,0,6.767343125,0,8.282230063,8.532278829,100.1252005,4.353269587,12.44270382,1.777529117,0,0,0,44,6,4.299,28,1.224818182,2.110039005,2.924159227,3.474757511,3.952964644,5.71185753,0,0,0,0,69.72220731,81.39693149,76.11385697,31.90081193,10.61486373,5.803612809,0,0,0,0,268.787596,337.4239973,396.2765835,274.4580573,172.6406646,177.5459197,0,0,0,0,8.893455721,14.97568724,20.72699372,24.06670898,26.79532824,38.37490919,0,0,0,0,2.059771149,2.735845826,3.457950507,2.821098814,2.155507404,2.539565568,0,0,0,0,176.6115071,329.9879212,457.2457905,585.5682262,712.0570339,1056.223283,0,0,0,0,2.538829545,3.501396601,5.152654435,5.169126467,4.547896064,5.71185753,0,0,0,0,0.427911136,0.575376064,0.73538305,0.616797951,0.486646143,0.584894211,0,0,0,0,351.2538824,135.6087776,8.422640101,123.6246489,-47.72783548,-7.249936546,227.6292335,183.336613,15.67257665,0.739671009,0.285565189,0.01773641,0.260328991,-0.100505355,-0.015266928,166.8029278,64.39769712,3.999730961,58.7066917,-22.66492441,-3.442839219,0.06936215,0.167822642,1.367179659,8.42336208,474.8785313,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,651.8861034,25.53206031,8.670761509,1.600376192,1.20582466,301.9411244,301.0866254,117.3617398,1.00283805,2.572738994,2.565458095,3.7171057,3.220194404,6.42424645,0.994987148,4.462408855,5.691187203,2.528752837,30.60273147,5.933777466,9.998374675,9.367718843,8.391585578,4.005473465,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851897,0.149881511,8.932443656,2.023351974,0.331592865,0.652671376,0.333439406,0.957409077,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690874933,0.524912857,11.8618731,2.301177387,1.404778953,1.996587945,1.320719156,1.162491535,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691150612,2.344012169,28.7475861,5.510292301,9.088187436,8.680297607,7.665648812,3.67131965,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690904229,0.815183813,14.31641578,2.64640617,2.408719208,3.048308136,2.193698832,1.4271176,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691340921,3.257168424,38.07157851,7.710774744,13.72990057,12.08766339,11.34352843,5.410230557,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.732087054,4.568276431,1.078605138,18.19740676,3.907136712,4.373030767,4.932270683,3.322899843,2.227401361,1.559038414,0.053081045,0.367905486,2.62E-15,3.60E-51,9.54E-109,4.88E-188,4.81E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.143134216,1.083373056,1.042643022,0.596516334,0.205606786,0.457022849,0.472182242,0.451937121,5.269150294,7.811925237,16.63146991,0.394774501,1.381142212,2.425158869,0.590249567,0.584676146,0.673639414,0.163954361,0.272077387,0.140160268,0.142114195,3.600084582,3.194486356,7.631505007,0.510459121,0.55435185,2.722543607,0.794500869,0.774365612,0.634417022,0.185137485,0.342895472,0.253946564,0.24928655,4.291410088,4.88654156,10.85295345,0.451625533,0.846128586,3.12654359,1.071978198,1.032060545,0.597742926,0.204944331,0.452210911,0.462301704,0.442809658,5.230582334,7.684715251,16.37433784,0.396614389,1.357322272,2.849753172,0.881871591,0.855507349,0.621249422,0.192249006,0.375687333,0.312870267,0.304266557,4.587132112,5.705548772,12.4426704,0.431874133,0.992824157,3.194714628,1.118799778,1.07554404,0.59281499,0.207605798,0.472145876,0.503568241,0.480909248,5.389058445,8.213620724,17.44693817,0.389222485,1.456623365,3.134797151,1.075002078,1.032151288,0.598021126,0.205076731,0.454601587,0.464913542,0.442887528,5.241950518,7.71506315,16.43527418,0.397031689,1.362402657 +UMLKV0032,L,"2,2,3-TRIMETHYLBUTANE",CC(C)C(C)(C)C,C7H16,Paraffin (non-normal),Alkanes,464-06-2,2.587241722,PubChem,,0.6928,0,2.1291,4.53306681,33.3946,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1531.545633,1380.178806,481.578048,54.867456,0,0,0,3461.958223,4376.887272,6343.167377,7546.541765,5529.286689,1678.522199,0,0,0,160.279036,159.125208,296.75898,384.494424,558.565632,362.797056,0,0,0,26.63610648,34.55010896,51.81309115,66.16993845,60.09517588,24.00909686,0,0,0,3846.242925,3210.7269,6671.119844,8301.419053,13833.70606,9985.553209,0,0,0,39.34027778,45.83333333,68.5,103.5,117,54,0,0,0,44.61329874,48.14991518,36.46537221,25.55886678,5.945408,1.016064,0,0,0,150.5199227,198.9494215,151.0277947,139.7507734,68.26279863,31.08374443,0,0,0,6.968653739,7.232964,7.06569,7.120267111,6.895872,6.718464,0,0,0,1.158091586,1.570459498,1.233645027,1.225369231,0.741915752,0.444612905,0,0,0,167.2279533,145.9421318,158.8361868,153.7299825,170.7864946,184.917652,0,0,0,1.71044686,2.083333333,1.630952381,1.916666667,1.444444444,1,0,0,0,0.030588158,-0.009555993,0.016606589,-0.02663582,-0.025211088,0.029502233,0,0,0,589.5388264,-58.58770946,234.1219796,-657.738582,-418.1240046,605.5589032,0,0,0,1096.272622,-108.9463475,435.3598184,-1223.09298,-777.5194411,1126.062639,0,0,0,0.115486609,-0.01147693,0.045862888,-0.128846473,-0.081907622,0.118624832,0,0,0,4.900848691,-0.487040864,1.946260952,-5.467794697,-3.475873664,5.034023928,0,0,0,26.62148787,-2.645613702,10.57212038,-29.70114757,-18.88100091,27.34489787,0,0,0,3.818236715,-2.62505251,2.877205419,-1.377599244,-3.965855388,3.182183365,0,0,0,0.00132992,-4.34E-04,3.95E-04,-4.93E-04,-3.11E-04,5.46E-04,0,0,0,25.63212289,-2.663077703,5.574332848,-12.18034411,-5.162024748,11.21405376,0,0,0,47.66402704,-4.952106706,10.36570996,-22.64986999,-9.599005446,20.85301183,0,0,0,0.005021157,-5.22E-04,0.001091974,-0.002386046,-0.001011205,0.002196756,0,0,0,0.213080378,-0.022138221,0.046339546,-0.101255457,-0.042912021,0.093222665,0,0,0,1.157455995,-0.120255168,0.251717152,-0.550021251,-0.233098777,0.506386998,0,0,0,0.166010292,-0.119320569,0.068504891,-0.025511097,-0.048961178,0.058929322,0,0,0,-0.326608638,0.297307362,-0.370891452,-0.234035141,0.41080492,0,0,0,-0.103896104,0.21747449,-0.475198413,-0.201388889,0.4375,0,0,0,-0.103896104,0.21747449,-0.475198413,-0.201388889,0.4375,0,0,0,-0.103896104,0.21747449,-0.475198413,-0.201388889,0.4375,0,0,0,-0.103896104,0.21747449,-0.475198413,-0.201388889,0.4375,0,0,0,-0.103896104,0.21747449,-0.475198413,-0.201388889,0.4375,0,0,0,-0.718754044,0.412654481,-0.15367178,-0.294928568,0.354973905,0,0,0,1.865358531,0.68757046,1.680400774,1.140016188,2.22E-05,0,0,0,1.642857143,0.968112245,1.756944444,1.003968254,0,0,0,0,1.642857143,0.968112245,1.756944444,1.003968254,0,0,0,0,1.642857143,0.968112245,1.756944444,1.003968254,0,0,0,0,1.642857143,0.968112245,1.756944444,1.003968254,0,0,0,0,1.642857143,0.968112245,1.756944444,1.003968254,0,0,0,0,2.317096315,0.394410429,1.513812009,1.280404871,0,0,0,0,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,36.10604471,17.91284378,26.4792645,35.90578961,5.129398515,17.91284381,-0.280357143,0.059904311,0.008557759,-1.97050477,17.90059046,2.557227209,2.019383589,0,11.89,12.11009426,-0.158279836,0.063161064,6.069125,8.904305318,6,22,22,22,6,0,0,0,0,0,17.491312,3.592210092,2.93473753,2.333552793,2.333552793,2.333552793,1.348564318,0.407859446,0.083923071,1.94842146,1.567579594,1.249629723,1.249629723,1.249629723,0.515601121,0.083923071,0.083923071,3.614885488,2.979392306,2.405454588,2.405454588,2.405454588,1.443680088,0.523383986,0.270913902,1.893841151,1.480174507,1.134540686,1.134540686,1.134540686,0.374584505,0.270913902,0.270913902,3.71701589,3.173591803,2.704236987,2.704236987,2.704236987,1.833306235,0.962616639,0.943918427,1.737865518,1.211712533,0.76031856,0.76031856,0.76031856,0.094802763,0.943918427,0.943918427,3.631722385,3.012216013,2.457539916,2.457539916,2.457539916,1.512321251,0.604822485,0.399277246,1.859471835,1.423475741,1.058262671,1.058262671,1.058262671,0.280302821,0.399277246,0.399277246,3.768138429,3.266108607,2.838982085,2.838982085,2.838982085,2.005337396,1.207644823,1.207644823,1.690770406,1.124849596,0.631337262,0.631337262,0.631337262,0.260760981,1.138209059,1.207644823,3.583739518,3.07441959,2.588679096,2.588679096,2.588679096,1.529446746,0.602848506,0.556291391,1.893648603,1.343323548,0.919804923,0.919804923,0.919804923,0.222356381,0.556291391,0.556291391,0,0,0,0,0,5,0,1,1,0,0,0,0,0,0,0,0,0,0,1.654700538,0.288675135,0.866025404,0.288675135,1.654700538,0.288675135,0.866025404,0.288675135,2.598076211,0.577350269,0,2.598076211,0.577350269,0,6.077350269,2.943375673,3.520725942,1.732050808,0,0,0,0,0.868192896,0.490562612,0.391191771,0.288675135,0,0,0,0,6.077350269,2.943375673,3.520725942,1.732050808,0,0,0,0,0.868192896,0.490562612,0.391191771,0.288675135,0,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.6885,34.293,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,11.28472222,0,0,0,0,0,0.798611111,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.25,0,0,0,0,0,0.798611111,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.261574074,0,0,0,0,0,0.798611111,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.58333333,1.797619048,0.2,2.261574074,0,0.5,5.336909722,0.75,0.261574074,2.569444444,0.75,0.261574074,2.569444444,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.71429,0.14286,0.14286,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,8.30939,1.18706,8.30939,0,0,2.94337,0.42048,2.94337,0,0,0.47063,0.06723,0.47063,0.06723,0,6,0,0,0,0,0,0,1,0.886540893,1.236186283,1.681899068,2.315127716,1.921774503,1.035405623,20.39044053,28.43228451,38.68367855,53.24793747,44.20081356,23.81432932,0.195982923,0.273277186,0.371808562,0.511793082,0.42483656,0.228891664,3.637021063,3.287375673,2.841662889,2.20843424,2.601787454,3.488156333,0.19880132,0.27720714,0.377155479,0.519153093,0.430946064,0.232183316,6.634953582,10.83069827,13.60008547,14.23826915,9.518030588,1.043507705,27.76507516,22.54607319,19.16553126,20.93436246,18.57424318,7.801485814,7,1.851851852,2.666666667,7,0,4,2.23,1.0949,3.920263408,0,3.298769777,3.789291416,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.131,0.009,0.004,2.627,9,6,0,0,0,0,0,0,0,28,1.945910149,2.302585093,1.945910149,0,0,0,0,0,0,0,3.36729583,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,6,1,0,2,3,0.5,3.5,1.333333333,0,0,0,0,0,0,0,0,0.583333333,0.148148148,0,0,0,0,0,0,0,0,0.731481481,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,0,129.6283511,3.807354922,3.433987204,4.110873864,4.934473933,5.666426688,6.475432717,7.221835825,8.026496939,8.776630098,9.580040124,71.22619739,2.564949357,0,3.891820298,0,5.379897354,0,6.91671502,0,8.466531277,8.706821323,100.1252005,4.353269587,12.29305504,1.75615072,0,0,0,42,6,4.238,30,1.224818182,2.109270524,2.951680438,3.454650488,3.913077987,0,0,0,0,0,69.72220731,88.72455476,79.7464231,21.19017043,3.975937672,0,0,0,0,0,268.787596,351.9329754,424.3186102,240.7331816,121.6331161,0,0,0,0,0,8.893455721,14.97766252,21.04161946,23.84625228,26.28987359,0,0,0,0,0,2.059771149,2.80470988,3.687583662,2.602315071,1.739804971,0,0,0,0,0,176.6115071,329.7128201,452.0018764,588.1417883,723.5971936,0,0,0,0,0,2.588977273,3.627320952,5.748036126,5.048734536,3.913077987,0,0,0,0,0,0.427911136,0.588223049,0.782919996,0.573102175,0.400699186,0,0,0,0,0,342.4271852,130.4788689,8.116067026,101.5476956,-38.69385678,-5.796802571,240.8794896,169.1727257,13.9128696,0.771276034,0.293887953,0.018280464,0.228723966,-0.087153257,-0.0130566,152.0290687,57.92934027,3.60332989,45.08462602,-17.17910045,-2.57363473,0.078876995,0.163203804,1.326139724,7.088037123,443.9748807,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,669.3452909,25.87170831,8.747488981,1.095700112,1.095700112,263.0597656,215.3646754,165.3093865,1.221461993,1.591317778,1.30279762,3.637217467,3.220218461,5.261260744,0.633821061,4.462408855,5.691187896,2.838021923,31.37300548,4.13368779,4.853544508,10.19774657,13.31665696,4.946205101,0.01337715,7.94E-24,9.09E-67,2.01E-131,8.55E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851902,0.150027288,10.09099914,2.016656515,0.105484909,0.688668416,0.642338515,0.034836527,9.42E-05,5.59E-26,6.40E-69,1.41E-133,6.03E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690874984,0.54238975,13.2833959,2.184108306,0.539358425,2.134850283,2.386693723,0.36302347,9.82E-04,5.83E-25,6.67E-68,1.47E-132,6.28E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.69115123,2.618165909,29.66269788,3.91044984,4.373497933,9.440555381,12.24260957,4.406979696,0.0119188,7.08E-24,8.10E-67,1.79E-131,7.62E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690904339,0.858147305,15.81684405,2.377647511,0.996142624,3.274532199,3.834366846,0.788535486,0.002132616,1.27E-24,1.45E-67,3.20E-132,1.36E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691341932,3.714837547,38.16812044,5.06655274,6.845960596,13.20004339,17.63188057,7.213575288,0.019509317,1.16E-23,1.33E-66,2.93E-131,1.25E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.704336019,4.256075768,1.054784201,19.64477258,3.169610386,1.788023979,5.263983409,6.329010249,1.530653182,0.004139694,2.46E-24,2.81E-67,6.21E-132,2.65E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.145920909,1.661374042,1.067828051,0.440177798,0.340786077,0.583636037,0.606390022,0.455537188,4.875123002,7.63071364,16.31283296,0.171445813,1.645563248,1.563560077,1.063578484,0.588266478,0.486271576,0.330775896,0.313998379,0.248517108,0.141443713,3.215405039,3.208426404,7.402100274,0.229407365,0.7039592,1.804564262,1.311184862,0.787109591,0.462369866,0.33595499,0.415745816,0.377698325,0.250783718,3.902858715,4.818553362,10.58380573,0.197487285,1.044227859,2.13244559,1.647560472,1.056764982,0.440882062,0.340632305,0.576481191,0.596348228,0.446372078,4.836771044,7.507911101,16.0574495,0.172271551,1.619201497,1.907750409,1.417101191,0.872072922,0.454559142,0.337652294,0.463561223,0.441183165,0.306602276,4.196924522,5.602988427,12.15754062,0.188317153,1.211346664,2.187820796,1.704320559,1.102218241,0.438058324,0.341249068,0.606159754,0.638145589,0.484594954,4.994359596,8.01873716,17.12299078,0.168961089,1.728900296,2.136550383,1.651655338,1.058166822,0.440855581,0.340802388,0.578519861,0.599316254,0.447286699,4.846372543,7.537398453,16.11787753,0.172486954,1.625122814 +UMLKV0033,L,2-METHYLHEPTANE,CCCCCC(C)C,C8H18,Paraffin (non-normal),Alkanes,592-27-8,2.751490152,PubChem,,0.5586,0,0.0158,2.50E-04,33.3531,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1362.056143,1135.165085,881.006788,675.105483,478.348754,160.526016,18.289152,3947.642614,5029.877407,6581.332248,6597.333588,5368.371711,4081.819666,3075.021321,1843.095563,559.5073998,181.25648,180.900988,339.41734,440.146868,435.333136,311.98206,249.09716,186.188544,120.932352,30.31423229,39.56609758,56.48150844,61.13785345,52.1042523,39.0812073,30.05967844,20.03172529,8.003032287,4342.872585,3643.766351,7578.921305,10341.75226,10717.8266,7574.612576,6095.657421,4611.235353,3328.517736,40.77777778,48.41666667,75.16666667,92.91666667,83.66666667,62.33333333,51,39,18,45.09238923,49.11105724,28.37616965,18.01849341,13.98423473,15.00234407,13.28746539,5.945408,1.016064,151.8324082,201.1950963,137.1110885,104.7195808,85.21224938,90.70710369,85.41725893,68.26279863,31.08374443,6.971403077,7.23603952,7.071194583,6.986458222,6.910049778,6.932934667,6.919365556,6.895872,6.718464,1.165932011,1.582643903,1.176698093,0.970442118,0.827051624,0.868471273,0.834991068,0.741915752,0.444612905,167.033561,145.7506541,157.8941939,164.1547978,170.1242317,168.3247239,169.3238172,170.7864946,184.917652,1.568376068,1.936666667,1.565972222,1.474867725,1.328042328,1.385185185,1.416666667,1.444444444,1,0.036661319,-0.005562139,-0.008748152,-0.011740312,0.00490429,3.17E-04,0.001313716,-0.008367403,0.009552158,670.5194345,-58.02572029,-166.9134917,-237.1174496,88.82949773,-15.04370526,-15.76007218,-137.5424481,206.3136721,1246.859521,-107.9013047,-310.3827653,-440.9300228,165.1822442,-27.97441232,-29.30652719,-255.7660555,383.6490833,0.131350154,-0.01136684,-0.032697207,-0.04644968,0.017401089,-0.002946959,-0.00308729,-0.026943621,0.040415432,5.574042193,-0.482369036,-1.387555375,-1.971162357,0.738441487,-0.125058639,-0.131013812,-1.14339327,1.715089906,30.27828566,-2.620236259,-7.537222819,-10.70738521,4.011225878,-0.679320512,-0.711669107,-6.210930392,9.316395587,3.017094017,-1.240795529,0.263313609,-1.176035503,0.420118343,-0.055226824,0.848126233,-1.325443787,0.75739645,0.001410051,-2.22E-04,-1.82E-04,-1.86E-04,7.78E-05,7.05E-06,3.65E-05,-3.10E-04,5.31E-04,25.78920902,-2.321028812,-3.47736441,-3.763769041,1.409992027,-0.334304561,-0.437779783,-5.094164744,11.46187067,47.95613541,-4.316052187,-6.46630761,-6.99888925,2.621940384,-0.621653607,-0.8140702,-9.472816871,21.31383796,0.005051929,-4.55E-04,-6.81E-04,-7.37E-04,2.76E-04,-6.55E-05,-8.58E-05,-9.98E-04,0.002245302,0.214386238,-0.019294761,-0.028907404,-0.031288291,0.011721293,-0.002779081,-0.003639273,-0.042347899,0.095282773,1.164549448,-0.10480945,-0.157025475,-0.169958495,0.063670252,-0.015096011,-0.019768586,-0.230034459,0.517577533,0.116042078,-0.049631821,0.0054857,-0.01866723,0.006668545,-0.001227263,0.023559062,-0.049090511,0.042077581,-0.157785505,-0.12925291,-0.132161309,0.055207857,0.004998746,0.025879997,-0.219782033,0.376352011,-0.09,-0.134837963,-0.145943563,0.054673721,-0.012962963,-0.016975309,-0.197530864,0.444444444,-0.09,-0.134837963,-0.145943563,0.054673721,-0.012962963,-0.016975309,-0.197530864,0.444444444,-0.09,-0.134837963,-0.145943563,0.054673721,-0.012962963,-0.016975309,-0.197530864,0.444444444,-0.09,-0.134837963,-0.145943563,0.054673721,-0.012962963,-0.016975309,-0.197530864,0.444444444,-0.09,-0.134837963,-0.145943563,0.054673721,-0.012962963,-0.016975309,-0.197530864,0.444444444,-0.427705382,0.047273371,-0.160866046,0.057466613,-0.010576015,0.203021719,-0.423040604,0.362606232,1.692219763,1.235860156,1.141057762,0.775491998,0.892984997,0.873979217,1.147505828,1.94E-05,1.625,1.316550926,1.14638448,0.78813933,0.902777778,0.877700617,1.00308642,0,1.625,1.316550926,1.14638448,0.78813933,0.902777778,0.877700617,1.00308642,0,1.625,1.316550926,1.14638448,0.78813933,0.902777778,0.877700617,1.00308642,0,1.625,1.316550926,1.14638448,0.78813933,0.902777778,0.877700617,1.00308642,0,1.625,1.316550926,1.14638448,0.78813933,0.902777778,0.877700617,1.00308642,0,2.03470255,0.834366147,1.150849858,0.690509915,0.889990557,0.78641407,1.841359773,0,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,49.17971066,24.49263311,39.41169489,49.03387732,6.129234666,24.49263311,-0.194444444,0.05549221,0.006936526,-2.313210101,31.51694111,3.939617639,2.760420171,0,11.89,12.11011416,-0.164721685,0.05599046,5.126994156,7.569956516,7,25,25,25,7,0,0,0,0,0,19.677726,3.512791118,3.238919284,2.754377525,2.333552793,2.16106297,1.602622042,1.212098241,0.967458465,1.92602284,1.749460495,1.439016878,1.249629723,1.066801236,0.747854632,0.554062797,0.378649273,3.540819883,3.274033784,2.803505181,2.405454588,2.230004045,1.69577801,1.328517454,1.093122251,1.865897482,1.676662806,1.346012258,1.134540686,0.950804492,0.609697056,0.400399929,0.219909271,3.663808076,3.427740613,3.01583014,2.704236987,2.521456068,2.07820745,1.79101269,1.584733213,1.688302405,1.458206375,1.05722802,0.76031856,0.576892714,0.14884779,0.126014232,0.328103809,3.56145617,3.299879996,2.839550007,2.457539916,2.28026614,1.763065027,1.411651868,1.182331103,1.827544674,1.629899281,1.28542041,1.058262671,0.874135771,0.51723375,0.296605772,0.112419936,3.723525777,3.501894309,3.116132114,2.838982085,2.65496015,2.247244052,1.988445773,1.791731238,1.632689995,1.38894938,0.962758478,0.631337262,0.449701075,0.014206762,0.318616961,0.530855554,3.554485372,3.348832867,2.922379464,2.657839583,2.364393205,1.850220107,1.518359463,1.288785188,1.821844405,1.566416066,1.177546527,0.857839583,0.755760656,0.393212957,0.157480166,0.024805111,0,0,0,0,0,3,4,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.144337567,0.288675135,0.204124145,0.144337567,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,6.825046296,0,5.604074074,0,0,0,0.904212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.250324074,0,1.353888889,0,0,0,0.904212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.287361111,0,1.424768519,0,0,0,0.904212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.666666667,0.2,2.287361111,0.2,0.904212963,6.033874213,0.42912037,0.287361111,1.650092593,0.42912037,0.287361111,1.650092593,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.375,0.125,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.40872,1.05109,8.40872,0,0,3.77005,0.47126,3.77005,0,0,0.14395,0.01799,0.14395,0.01799,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.52623491,3.093730583,2.430457026,2.008000925,23.15278265,34.39789514,65.68210766,80.43699516,63.19188266,52.20802404,0.189448582,0.281462171,0.537446507,0.658178972,0.517070141,0.427194272,3.809948078,3.377443751,2.174204808,1.606709135,2.269982693,2.692438793,0.191756937,0.284891675,0.543995078,0.66619862,0.523370433,0.432399463,6.648700044,11.83875197,16.75276226,14.99529819,11.79017873,12.55213632,31.72521615,24.13720728,20.30507436,22.09939553,27.99758443,21.09608714,8,5.142857143,7.2,8,0,7,2.34,1.2358,0.721124785,4.146039495,1.754410643,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.538,7,5,4,3,2,0,0,0,0,36,2.079441542,2.079441542,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,7,1,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,0,146.9243357,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,114.1408506,4.390032714,14.66595917,1.833244896,0,0,0,79,5,4.831,28,1.2278,2.11761443,2.869523731,3.522731356,4.659330025,5.700733816,6.739604562,7.6460672,0,0,71.2221278,68.08752346,60.48242812,62.56281571,83.66926384,88.14618725,43.01500053,7.768893624,0,0,272.5498825,313.605011,324.113785,344.3741487,468.6446156,530.0032674,482.2788943,237.6683987,0,0,8.919363223,15.02844115,20.09547913,24.46743974,32.43406668,39.5739121,46.58145234,51.36982723,0,0,2.081648384,2.634998592,2.924434097,3.20212955,4.347684954,5.046203377,5.177858357,3.399540149,0,0,176.77647,330.4239685,467.7042365,589.9301237,774.4454149,955.5778309,1142.590018,1413.892794,0,0,2.435676667,3.425910754,4.328745309,4.89759239,6.7048841,8.386110038,10.0005416,7.6460672,0,0,0.4321989,0.557170835,0.626552001,0.690477082,0.936577657,1.091762356,1.138840444,0.782957281,0,0,417.6863934,187.2240734,10.19522471,149.9471702,-67.21243603,-9.084440154,267.7392232,254.4365095,19.27966486,0.735838083,0.329832634,0.017960926,0.264161917,-0.118408143,-0.016004057,237.0928159,106.274668,5.787151733,85.11504654,-38.15203458,-5.156633137,0.065561676,0.145381405,0.980442389,9.464141681,567.6335635,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,697.4366738,26.40902637,8.868188725,1.99023833,1.896459864,800.2727231,752.9108926,87.83305507,1.062904961,9.111293266,8.57206768,4.546451998,4.466158665,8.836778877,0.978608361,5.020209962,6.639711035,2.900174803,24.54112878,9.321022415,3.228366089,5.252105494,11.52747078,9.750016298,3.548427425,3.887846315,7.457765018,5.146040259,3.800250312,2.755731928,0.260945109,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.421311435,6.639327146,0.184578564,7.345631963,0.565195848,0.090461646,0.56117669,0.516345165,3.206018704,0.146233275,0.034217053,0.802523222,0.253539163,0.955317836,0.114730901,0.001837924,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.360044669,6.639353507,0.634595672,9.047470715,1.161208758,0.410839064,1.335524754,1.923838833,4.192263275,0.571701187,0.301586084,1.593596027,0.935963547,1.26829292,0.447155927,0.019152065,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,4.738668689,6.639669138,2.697032192,22.84877673,8.363576457,2.923012395,4.900130534,10.55617383,9.225747141,3.24498692,3.468240385,6.849607169,4.734649826,3.531369355,2.520942422,0.23249744,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,2.004455605,6.639387042,0.97448535,10.75260052,1.924056145,0.725823057,1.921477541,3.139485701,4.973070418,0.943640996,0.639299307,2.30511668,1.498324515,1.562636949,0.736716796,0.041600681,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,6.062630571,6.639887047,3.694212814,31.53342808,13.34450521,4.487544146,6.628885491,15.46119872,11.83154466,4.779978768,5.650023847,9.937412178,6.79625955,4.903338635,3.708061929,0.380563701,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,3.145998243,5.8332612,1.431573317,14.39668315,3.73465636,1.472361706,2.797687357,5.267984438,6.514947328,1.66349802,1.419777717,4.255029879,2.550496848,2.648035925,1.438420738,0.09394055,0.05015848,5.68E-20,1.24E-59,5.23E-121,4.25E-204,0.00E+00,0,0,0,0,0,0,0,0,7.376093849,1.09401537,0.5837864,0.814687308,0.120833663,0.561019305,0.465215223,0.432107025,9.053895618,13.0142946,26.77908962,0.722030962,1.458341553,6.419161133,0.592226988,0.177884176,0.892880512,0.082376486,0.424747633,0.135713272,0.03998713,7.189272297,5.048815464,12.91433233,0.839320769,0.600448036,6.813526748,0.799063019,0.345205182,0.856207881,0.100412617,0.478606175,0.247560753,0.150836568,7.957794949,8.072342687,17.90958559,0.784311821,0.877003496,7.35379518,1.082326376,0.574331796,0.81614042,0.12011897,0.557627678,0.455285324,0.418201121,9.010453352,12.80433933,26.38601804,0.724210629,1.431114123,6.983080047,0.887971448,0.417123854,0.842535269,0.107137145,0.502753589,0.30595946,0.220359998,8.288175349,9.483979035,20.35864584,0.763802903,1.029073046,7.445477347,1.130385219,0.613203848,0.810253949,0.123014153,0.571638541,0.496801164,0.476831743,9.189066414,13.67500947,28.0249574,0.715380923,1.545271447,7.379196446,1.085871882,0.575267527,0.816252467,0.120114109,0.56149835,0.458341568,0.419362733,9.040335854,12.88254085,26.53241597,0.724378701,1.439202651 +UMLKV0034,L,3-METHYLHEPTANE,CCCCC(C)CC,C8H18,Paraffin (non-normal),Alkanes,589-81-1,2.751118467,PubChem,,0.5501,0,-0.3724,0.13868176,33.5193,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1362.056143,1256.231094,947.552932,684.250059,357.282745,93.979872,9.144576,3947.642614,5029.877407,6581.332248,6822.461001,5870.288943,4361.573366,2849.893908,1341.178331,279.7536999,181.25648,180.900988,339.41734,440.170584,437.728144,372.448236,249.073444,183.793536,60.466176,30.31423229,39.56609758,56.48150844,62.14427773,56.11784073,43.08272344,29.05325415,16.01813686,4.001516144,4342.872585,3643.766351,7578.921305,10347.21917,10527.05597,9238.871444,6090.190508,4802.005979,1664.258868,40.77777778,48.5,74.5,91.91666667,89.58333333,72,52,33,9,45.09238923,49.11105724,28.37616965,19.9401761,15.04052273,12.67129739,9.924520694,3.480736,1.016064,151.8324082,201.1950963,137.1110885,108.2930318,93.17918957,80.76987715,79.16371966,49.67327153,31.08374443,6.971403077,7.23603952,7.071194583,6.986834667,6.948065778,6.897189556,6.918706778,6.807168,6.718464,1.165932011,1.582643903,1.176698093,0.986417107,0.890759377,0.797828212,0.807034838,0.593264328,0.444612905,167.033561,145.7506541,157.8941939,164.2415742,167.0961266,171.0902119,169.1719586,177.8520733,184.917652,1.568376068,1.94,1.552083333,1.458994709,1.421957672,1.333333333,1.444444444,1.222222222,1,0.036687857,-0.005850972,-0.010022378,-0.003618442,-0.00622156,0.006410055,-0.006826659,0.00305778,0.004728247,670.5194345,-58.02572029,-166.9134917,-116.0514406,-134.6769804,88.11313081,-136.8260812,85.96403006,103.1568361,1246.859521,-107.9013047,-310.3827653,-215.8026093,-250.437596,163.8501293,-254.4339406,159.8537847,191.8245416,0.131350154,-0.01136684,-0.032697207,-0.02273368,-0.026382296,0.017260757,-0.02680329,0.016839763,0.020207716,5.574042193,-0.482369036,-1.387555375,-0.964738072,-1.119572577,0.732486314,-1.137438097,0.714620794,0.857544953,30.27828566,-2.620236259,-7.537222819,-5.240472518,-6.081536008,3.978877282,-6.178581796,3.881831495,4.658197794,3.017094017,-1.157462196,-0.403353057,0.234220907,-0.893984221,0.990138067,-0.562130178,-0.094674556,0.378698225,0.001411071,-2.34E-04,-2.09E-04,-5.74E-05,-9.88E-05,1.19E-04,-1.90E-04,1.13E-04,5.25E-04,25.78920902,-2.321028812,-3.47736441,-1.842086358,-2.137729848,1.631724645,-3.800724477,3.183852965,11.46187067,47.95613541,-4.316052187,-6.46630761,-3.425438243,-3.975199937,3.034261654,-7.067609462,5.920510544,21.31383796,0.005051929,-4.55E-04,-6.81E-04,-3.61E-04,-4.19E-04,3.20E-04,-7.45E-04,6.24E-04,0.002245302,0.214386238,-0.019294761,-0.028907404,-0.015313303,-0.017770993,0.013564561,-0.031595503,0.026467437,0.095282773,1.164549448,-0.10480945,-0.157025475,-0.083182103,-0.096532318,0.073682913,-0.171627272,0.143771537,0.517577533,0.116042078,-0.046298488,-0.008403189,0.003717792,-0.014190226,0.01833589,-0.015614727,-0.003506465,0.042077581,-0.165858993,-0.147972343,-0.040703534,-0.069985771,0.084123825,-0.134386823,0.08025896,0.372313411,-0.09,-0.134837963,-0.071428571,-0.082892416,0.063271605,-0.147376543,0.12345679,0.444444444,-0.09,-0.134837963,-0.071428571,-0.082892416,0.063271605,-0.147376543,0.12345679,0.444444444,-0.09,-0.134837963,-0.071428571,-0.082892416,0.063271605,-0.147376543,0.12345679,0.444444444,-0.09,-0.134837963,-0.071428571,-0.082892416,0.063271605,-0.147376543,0.12345679,0.444444444,-0.09,-0.134837963,-0.071428571,-0.082892416,0.063271605,-0.147376543,0.12345679,0.444444444,-0.39898017,-0.072415014,0.032038311,-0.122285175,0.158010702,-0.134560907,-0.030217186,0.362606232,1.701005683,1.243712962,1.019979853,1.01173157,0.737966568,1.085044799,0.587666981,1.55E-08,1.625,1.316550926,1.07473545,1.00308642,0.752314815,1.00308642,0.50154321,0,1.625,1.316550926,1.07473545,1.00308642,0.752314815,1.00308642,0.50154321,0,1.625,1.316550926,1.07473545,1.00308642,0.752314815,1.00308642,0.50154321,0,1.625,1.316550926,1.07473545,1.00308642,0.752314815,1.00308642,0.50154321,0,1.625,1.316550926,1.07473545,1.00308642,0.752314815,1.00308642,0.50154321,0,2.007082153,0.949451133,0.843956563,1.096047484,0.639361032,1.323477337,0.920679887,0,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,47.96663102,23.88609329,37.51282513,47.82079768,5.97759971,23.88609329,-0.194444444,0.060698617,0.007587327,-2.241467498,35.64509479,4.455636849,2.858889235,0,11.89,12.11011416,-0.169148038,0.051292578,5.166289279,8.113568415,7,25,25,25,7,0,0,0,0,0,19.677726,3.529332072,3.195058212,2.755948403,2.493452742,1.932218273,1.680731392,1.269169757,0.928548971,1.932088946,1.726147067,1.463914318,1.297442762,0.942332832,0.805586637,0.584415686,0.361147009,3.556432943,3.231889696,2.807379492,2.553674276,2.012096203,1.772383688,1.382536173,1.056628289,1.873069446,1.651027204,1.368654208,1.192497264,0.817048643,0.669802562,0.432936305,0.200673912,3.675722176,3.39262472,3.028395679,2.809477666,2.343851464,2.147975038,1.834301705,1.55684911,1.699553822,1.424380432,1.071266037,0.858468533,0.405912101,0.217306605,0.084406134,0.354631252,3.576405821,3.258975059,2.845042021,2.597623259,2.069990728,1.838528324,1.463572979,1.147508447,1.835492375,1.602666577,1.306472481,1.123476362,0.733706474,0.578968445,0.33072767,0.091918289,3.733867456,3.469855466,3.132152305,2.927680647,2.492786237,2.313882392,2.02785299,1.76697975,1.645481618,1.352139987,0.973335194,0.746246752,0.263045205,0.057265899,0.272993978,0.560622017,3.561114388,3.312388402,2.974505452,2.720785426,2.176744083,1.938015646,1.568048103,1.255846921,1.836041573,1.536097577,1.168687512,0.97669752,0.597809945,0.445731481,0.193535411,0.047152599,0,0,0,0,0,3,4,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.49279928,0.348461713,0.288675135,0.49279928,0.348461713,0.288675135,6.405777394,3.808060412,2.655648531,1.747400241,0.756710003,0.49279928,0.144337567,0,0.800722174,0.54400863,0.379378362,0.291233373,0.189177501,0.164266427,0.144337567,0,6.405777394,3.808060412,2.655648531,1.747400241,0.756710003,0.49279928,0.144337567,0,0.800722174,0.54400863,0.379378362,0.291233373,0.189177501,0.164266427,0.144337567,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,63,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,6.845601852,0,5.534074074,0,0,0,0.953657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.252361111,0,1.347222222,0,0,0,0.953657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.329027778,0,1.423611111,0,0,0,0.953657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.666666667,0.2,2.329027778,0.2,0.953657407,6.030028102,0.379675926,0.329027778,1.691203704,0.379675926,0.329027778,1.691203704,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.375,0.125,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.4771,1.05964,8.4771,0,0,3.80805,0.47601,3.80805,0,0,0.10595,0.01324,0.10595,0.01324,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.52623491,3.228721929,2.99894622,2.586397325,23.15278265,34.39789514,65.68210766,83.94677017,77.97260171,67.24633045,0.189448582,0.281462171,0.537446507,0.686897849,0.638013973,0.550245824,3.809948078,3.377443751,2.174204808,1.471717789,1.701493498,2.114042393,0.191756937,0.284891675,0.543995078,0.695267424,0.645787918,0.556950349,6.648700044,11.83875197,16.75276226,16.61519435,14.89977214,13.66146233,31.72521615,24.13720728,20.30507436,19.405554,22.41087485,20.30924766,8,5.142857143,5,8,0,7,2.34,1.2358,0.66943295,4.653771984,1.5,0,3.14734519,2.555772417,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.538,7,6,4,3,1,0,0,0,0,36,2.079441542,2.079441542,1.945910149,1.609437912,1.386294361,0.693147181,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,7,1,0,3,6,1,1.5,0.666666667,0.25,0.16,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.041666667,0.04,0.018518519,0,0,0,0,0,0.409708995,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,0,146.9243357,4,3.36729583,4.007333185,4.691347882,5.361292166,6.052089169,6.72982407,7.422373701,8.102586425,8.795582217,69.52972465,2.708050201,0,3.761200116,0,4.990432587,0,6.289715571,0,7.623153068,7.934871566,114.1408506,4.390032714,14.66013744,1.832517181,0,0,0,76,6,4.831,28,1.2278,2.11761443,2.868995454,3.539523979,4.46758982,5.700746328,6.680694242,8.149714457,0,0,71.2221278,68.08752346,66.16278356,65.99938978,70.3185958,65.85283058,26.04066785,8.28063147,0,0,272.5498825,313.605011,335.0969615,370.6874305,408.7154135,487.6108124,352.8720999,253.3236414,0,0,8.919363223,15.02844115,20.09578731,24.70332923,30.95744607,39.56372487,45.57691037,54.75356319,0,0,2.081648384,2.634998592,2.975411712,3.415836306,3.883087002,4.852306451,4.131505603,3.623468219,0,0,176.77647,330.4239685,467.6398063,583.2325182,753.5137586,955.0537652,1180.185899,1507.026062,0,0,2.440753333,3.386759232,4.287736567,5.216119002,6.242004258,8.505067865,8.416571375,8.149714457,0,0,0.4321989,0.557170835,0.636008304,0.734620575,0.840366416,1.055921242,0.922959784,0.83453076,0,0,411.7576844,184.3877974,10.06620015,164.9796256,-73.87896065,-9.897244497,246.7780589,258.266758,19.96344464,0.713943207,0.31970846,0.0174537,0.286056793,-0.128098112,-0.017160749,237.4760193,106.3433222,5.805553194,95.14990545,-42.60875303,-5.708110167,0.066159019,0.145522232,1.031818969,9.66552143,576.73731,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,711.0423586,26.66537753,8.925485001,2.177133727,2.177133727,737.5840449,692.676222,87.22342175,1.064832344,8.45626129,7.941401611,4.41802835,4.466158665,8.836778877,0.978608361,5.020209962,6.63970304,2.819805568,27.05115841,9.814810798,5.557618818,6.176446412,11.52650365,9.906275282,2.965143202,3.453423711,7.897847759,4.730372909,0.860264837,2.474850258,0.241081057,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.421311435,6.639327089,0.184012514,7.480973735,1.060371448,0.171970881,0.648379071,0.51634133,3.133746187,0.100904141,0.074443128,0.343650662,0.151649858,0.859561027,0.112752628,0.00169802,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.360044669,6.63935292,0.628697017,9.533992743,1.654382069,0.749058106,1.610679945,1.923775497,4.015222215,0.422986663,0.380911383,1.294580719,0.651204137,0.859696011,0.426540802,0.017694156,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,4.738668689,6.639662015,2.625424649,25.16618618,8.856841594,5.043162687,5.779262996,10.55531418,9.314449379,2.696908065,3.11098247,7.226293925,4.296156698,0.86021868,2.270681911,0.214798927,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,2.004455605,6.639385768,0.961672691,11.51984881,2.416365392,1.300273767,2.320586526,3.139340803,4.769067789,0.722048607,0.705088196,2.12285718,1.12331102,0.85979125,0.691937989,0.038433908,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,6.062630571,6.639875388,3.577001848,34.81028503,13.84092147,7.672188774,7.713754367,15.45977856,12.29875627,4.063765066,4.875273201,10.6217168,6.512833422,0.860439222,3.298422411,0.351593848,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,3.145998243,5.861712567,1.424499169,15.26715871,4.439264277,2.615559503,3.508301107,5.447476416,6.181935189,1.340315023,1.469931102,4.13122571,1.983111796,1.238209127,1.337303337,0.086789491,0.05015848,5.68E-20,1.24E-59,5.23E-121,4.25E-204,0.00E+00,0,0,0,0,0,0,0,0,6.859036214,1.063208596,0.59753924,0.805071604,0.124792904,0.524217609,0.435615098,0.455994453,8.51978405,12.02643841,24.90382891,0.707607407,1.41582716,5.883112773,0.580735175,0.185302295,0.884791674,0.087339758,0.385594143,0.129739886,0.043768825,6.649150243,4.614296384,11.89653758,0.827187511,0.559102854,6.285341935,0.779591919,0.355216321,0.847063979,0.10506417,0.440152396,0.233982433,0.160981009,7.420150175,7.409581593,16.57029237,0.770595969,0.835115838,6.836298367,1.05196792,0.587935464,0.80652851,0.12410841,0.520745917,0.426437616,0.441439069,8.476201751,11.82935807,24.53373686,0.709792765,1.388622602,6.458259546,0.865078231,0.428257757,0.833152287,0.111600022,0.464716969,0.288198351,0.234068909,7.751595534,8.723175956,18.86740464,0.74972843,0.986984229,6.929785301,1.098183988,0.627421271,0.800632306,0.126878618,0.535093656,0.464797435,0.502795779,8.655390561,12.64709796,26.07727686,0.700948459,1.50268687,6.859568803,1.054489552,0.58909637,0.806708689,0.124011568,0.524302949,0.428368685,0.442778689,8.503154726,11.89548669,24.65977789,0.710063034,1.395450323 +UMLKV0035,L,4-METHYLHEPTANE,CCCC(C)CCC,C8H18,Paraffin (non-normal),octanes,589-53-7,2.751012246,PubChem,,0.5338,0,0.1712,0.02930944,35.0595,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1362.056143,1256.231094,1068.618941,629.730194,299.881177,84.835296,9.144576,3947.642614,5029.877407,6581.332248,6822.461001,6095.416356,4638.363184,2627.730376,1061.424631,279.7536999,181.25648,180.900988,339.41734,440.170584,437.75186,374.819528,307.144612,123.32736,60.466176,30.31423229,39.56609758,56.48150844,62.14427773,57.12426502,46.08988759,29.04118186,12.01662072,4.001516144,4342.872585,3643.766351,7578.921305,10347.21917,10532.52289,9042.633905,7945.220002,3137.747111,1664.258868,40.77777778,48.5,74.58333333,91.16666667,89.25,79,55,24,9,45.09238923,49.11105724,28.37616965,19.9401761,16.96220541,11.66167026,6.664026156,4.713072,1.016064,151.8324082,201.1950963,137.1110885,108.2930318,96.75264057,85.89561452,58.39400836,58.96803508,31.08374443,6.971403077,7.23603952,7.071194583,6.986834667,6.948442222,6.94110237,6.825435822,6.85152,6.718464,1.165932011,1.582643903,1.176698093,0.986417107,0.906734365,0.853516437,0.645359597,0.66759004,0.444612905,167.033561,145.7506541,157.8941939,164.2415742,167.1829029,167.4561834,176.5604445,174.3192839,184.917652,1.568376068,1.94,1.553819444,1.447089947,1.416666667,1.462962963,1.222222222,1.333333333,1,0.03670553,-0.005844745,-0.010337872,-0.004584745,0.003186368,-0.013158062,0.009424713,-0.001765302,0.004726879,670.5194345,-58.02572029,-166.9134917,-116.0514406,-13.61097143,-256.4593563,189.837233,-17.19280601,103.1568361,1246.859521,-107.9013047,-310.3827653,-215.8026093,-25.31018258,-476.8971243,353.0104412,-31.97075694,191.8245416,0.131350154,-0.01136684,-0.032697207,-0.02273368,-0.002666296,-0.050238627,0.037187811,-0.003367953,0.020207716,5.574042193,-0.482369036,-1.387555375,-0.964738072,-0.113148292,-2.131952035,1.57812092,-0.142924159,0.857544953,30.27828566,-2.620236259,-7.537222819,-5.240472518,-0.61462332,-11.58079729,8.572377884,-0.776366299,4.658197794,3.017094017,-1.157462196,-0.320019724,-0.515779093,1.182938856,-1.650887574,1.047337278,-0.473372781,0.378698225,0.001411751,-2.34E-04,-2.15E-04,-7.28E-05,5.06E-05,-2.44E-04,2.09E-04,-9.81E-05,5.25E-04,25.78920902,-2.321028812,-3.47736441,-1.842086358,-0.216047165,-4.74924734,4.218605179,-0.95515589,11.46187067,47.95613541,-4.316052187,-6.46630761,-3.425438243,-0.40174893,-8.831428228,7.844676471,-1.776153163,21.31383796,0.005051929,-4.55E-04,-6.81E-04,-3.61E-04,-4.23E-05,-9.30E-04,8.26E-04,-1.87E-04,0.002245302,0.214386238,-0.019294761,-0.028907404,-0.015313303,-0.001796005,-0.039480593,0.035069354,-0.007940231,0.095282773,1.164549448,-0.10480945,-0.157025475,-0.083182103,-0.009755926,-0.214459209,0.190497286,-0.043131461,0.517577533,0.116042078,-0.046298488,-0.006667078,-0.00818697,0.018776807,-0.030571992,0.023274162,-0.026298488,0.042077581,-0.165602689,-0.152556872,-0.051548554,0.035825916,-0.172599686,0.148353387,-0.069468584,0.37202649,-0.09,-0.134837963,-0.071428571,-0.008377425,-0.184156379,0.163580247,-0.037037037,0.444444444,-0.09,-0.134837963,-0.071428571,-0.008377425,-0.184156379,0.163580247,-0.037037037,0.444444444,-0.09,-0.134837963,-0.071428571,-0.008377425,-0.184156379,0.163580247,-0.037037037,0.444444444,-0.09,-0.134837963,-0.071428571,-0.008377425,-0.184156379,0.163580247,-0.037037037,0.444444444,-0.09,-0.134837963,-0.071428571,-0.008377425,-0.184156379,0.163580247,-0.037037037,0.444444444,-0.39898017,-0.057453966,-0.070551733,0.161810333,-0.263456091,0.200566572,-0.226628895,0.362606232,1.70099103,1.247361376,1.02229393,0.886345971,1.15762637,0.532267913,0.882982468,0,1.625,1.316550926,1.07473545,0.93143739,1.086676955,0.50154321,0.752314815,0,1.625,1.316550926,1.07473545,0.93143739,1.086676955,0.50154321,0.752314815,0,1.625,1.316550926,1.07473545,0.93143739,1.086676955,0.50154321,0.752314815,0,1.625,1.316550926,1.07473545,0.93143739,1.086676955,0.50154321,0.752314815,0,1.625,1.316550926,1.07473545,0.93143739,1.086676955,0.50154321,0.752314815,0,2.007082153,0.93506551,0.942600836,0.70147039,1.457743154,0.506373938,1.38101983,0,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,47.5484976,23.67702658,36.65055625,47.40266426,5.925333033,23.67702658,-0.194444444,5.00E-16,6.25E-17,-28.18617854,3000010.303,375001.2878,11.93130102,0,11.89,12.11011416,-0.170392061,0.049945123,5.23605134,8.270754938,7,25,25,25,7,0,0,0,0,0,19.677726,3.534483928,3.158726067,2.863458865,2.258207362,2.18392002,1.531119992,1.33214981,0.922347198,1.9340824,1.708882991,1.522833628,1.165465255,1.091617933,0.708131295,0.62252576,0.359489416,3.561317793,3.197240258,2.910543171,2.328648091,2.253323613,1.627937686,1.442861713,1.051068945,1.875412277,1.631733601,1.432672492,1.050742388,0.975709625,0.567377651,0.473240653,0.198741368,3.679518946,3.364701014,3.114259642,2.623190037,2.546003084,2.023129484,1.884943921,1.553301492,1.703151529,1.397661851,1.154054021,0.67873749,0.601565151,0.095763495,0.035334264,0.357899068,3.581098334,3.225530555,2.945094684,2.379795041,2.303876515,1.697729238,1.522049418,1.142372637,1.838077868,1.581957035,1.374050783,0.974769584,0.899064477,0.473031062,0.37260324,0.089774408,3.737189767,3.444790866,3.210733213,2.756758609,2.679762813,2.196769962,2.074844725,1.764063352,1.64954002,1.322620074,1.063286486,0.551092445,0.474040332,0.072053907,0.220196471,0.564574256,3.563125416,3.285915969,3.063705325,2.52190925,2.401877879,1.792072835,1.627016104,1.251665728,1.840779565,1.509387149,1.244209841,0.814098537,0.769985066,0.34329841,0.235437737,0.049907801,0,0,0,0,0,3,4,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.40824829,0.552585858,0.288675135,0.40824829,0.552585858,0.288675135,6.405777394,3.808060412,2.682521985,1.562948829,1.129936127,0.288675135,0.144337567,0,0.800722174,0.54400863,0.383217426,0.260491471,0.225987225,0.144337567,0.144337567,0,6.405777394,3.808060412,2.682521985,1.562948829,1.129936127,0.288675135,0.144337567,0,0.800722174,0.54400863,0.383217426,0.260491471,0.225987225,0.144337567,0.144337567,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,61,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,6.8525,0,5.51787037,0,0,0,0.962962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.256111111,0,1.34837963,0,0,0,0.962962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.340277778,0,1.410555556,0,0,0,0.962962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.666666667,0.2,2.340277778,0.2,0.962962963,6.029152778,0.37037037,0.340277778,1.705,0.37037037,0.340277778,1.705,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.375,0.125,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.49821,1.06228,8.49821,0,0,3.80805,0.47601,3.80805,0,0,0.10595,0.01324,0.10595,0.01324,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.449311833,2.997952699,2.950063756,2.894089633,23.15278265,34.39789514,63.68210766,77.94677017,76.70165767,75.24633045,0.189448582,0.281462171,0.521081426,0.637802605,0.627614422,0.615706148,3.809948078,3.377443751,2.251127885,1.702487019,1.750375962,1.806350086,0.191756937,0.284891675,0.527430595,0.645573975,0.635261652,0.623208281,6.648700044,11.83875197,15.82968534,15.53706742,16.33435566,14.29071062,31.72521615,24.13720728,21.55143116,21.17512302,20.33135472,18.84404937,8,5.142857143,5,8,0,7,2.34,1.2358,0.655185349,4.813703899,1.44224957,0,2.941682753,2.828427125,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.538,7,6,5,2,1,0,0,0,0,36,2.079441542,2.079441542,1.945910149,1.791759469,1.098612289,0.693147181,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,7,1,0,3,6,1,1.5,0.666666667,0.375,0.08,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.0625,0.016,0.027777778,0,0,0,0,0,0.415801587,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,0,146.9243357,4,3.36729583,4.007333185,4.709530201,5.370638028,6.084499413,6.751101469,7.467942332,8.135932772,8.853522561,69.74779579,2.708050201,0,3.761200116,0,4.990432587,0,6.304448802,0,7.656810091,7.96241568,114.1408506,4.390032714,14.6584741,1.832309262,0,0,0,75,6,4.831,28,1.2278,2.11761443,2.868995454,3.539278481,4.498648379,5.533468565,7.18179224,8.149714457,0,0,71.2221278,68.08752346,66.16278356,74.38123794,64.34094545,45.61131578,36.17614296,8.28063147,0,0,272.5498825,313.605011,335.0969615,386.8582916,430.6343555,359.5416045,441.0536558,253.3236414,0,0,8.919363223,15.02844115,20.09578731,24.70704828,31.36729715,37.89712103,49.28997252,54.75356319,0,0,2.081648384,2.634998592,2.975411712,3.490821247,4.140921601,3.828307983,4.934891604,3.623468219,0,0,176.77647,330.4239685,467.6398063,583.2624786,742.5233106,967.0484853,1245.251567,1507.026062,0,0,2.440753333,3.391076992,4.246726094,5.232301433,6.862767084,7.050261747,9.785607939,8.149714457,0,0,0.4321989,0.557170835,0.636008304,0.748529724,0.895874319,0.844370063,1.093700566,0.83453076,0,0,413.1513735,185.0067345,10.05125475,142.7768776,-63.93463895,-8.686500947,270.3744958,248.9413735,18.7377557,0.743173913,0.33278887,0.018080129,0.256826087,-0.115005199,-0.015625219,229.6825205,102.8504704,5.587776474,79.37369988,-35.54307202,-4.829071279,0.066175841,0.145510949,0.944244624,9.472574837,555.9282511,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,713.4812626,26.71107004,8.93567828,1.910406936,1.910406936,723.9846179,671.6417839,93.29786241,1.077932665,7.759927175,7.198897879,4.431211399,4.466158665,8.836778877,0.978608361,5.020209962,6.639728116,2.866163207,24.32112914,9.403257044,6.009815998,7.079127333,9.442500637,11.10889945,3.728602491,3.632504051,7.56102821,4.322884441,0.860264763,2.474850258,0.241081057,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.421311435,6.639327266,0.184339015,7.458642858,1.057465414,0.177347239,0.600382346,0.508825504,3.202275592,0.063405831,0.028442469,0.341267531,0.148779883,0.859561027,0.112752628,0.00169802,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.360044669,6.63935476,0.632099406,9.325651685,1.624157269,0.787877199,1.537158974,1.749009115,4.285247395,0.369090962,0.272629812,1.269832108,0.621296789,0.859696005,0.426540802,0.017694156,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,4.738668689,6.639684357,2.66672847,22.7316426,8.490149494,5.447571208,6.546064753,8.689210486,10.43703308,3.347694212,3.237997185,6.926186278,3.933091809,0.860218614,2.270681911,0.214798927,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,2.004455605,6.639389765,0.969063133,11.0749401,2.350731365,1.379201255,2.294741161,2.773570897,5.186320275,0.710309649,0.586186897,2.069126672,1.058348264,0.859791238,0.691937989,0.038433908,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,6.062630571,6.639911958,3.644610107,30.83891522,13.24073322,8.324527809,9.20773375,12.46592055,13.80978338,5.316659697,5.290600372,10.13053265,5.918549787,0.860439114,3.298422411,0.351593848,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,3.145998243,5.861721594,1.441187922,14.1479237,4.113308525,2.790803851,3.396508037,4.437458522,7.071024033,1.429440683,1.313090613,4.009919709,1.836415948,1.238209101,1.337303337,0.086789491,0.05015848,5.68E-20,1.24E-59,5.23E-121,4.25E-204,0.00E+00,0,0,0,0,0,0,0,0,6.6874255,1.148008599,0.587119941,0.793990216,0.13630172,0.505723297,0.426362491,0.42870124,8.42255404,12.27756159,25.20756575,0.690985324,1.360787028,5.704735851,0.637965703,0.179975959,0.874600322,0.097807335,0.368015513,0.131593489,0.040184237,6.522677513,4.780959611,11.95864628,0.811900483,0.53979324,6.109760955,0.848181415,0.347787747,0.836297106,0.116098104,0.422127343,0.232663842,0.150229542,7.305730116,7.60207279,16.71010359,0.754445659,0.805020728,6.664530653,1.136125257,0.57763453,0.79545233,0.13560347,0.502266469,0.417576575,0.414941744,8.37829044,12.07766981,24.82965965,0.693178495,1.334784788,6.283877301,0.938552701,0.4199268,0.822243382,0.122809328,0.446529792,0.284913233,0.219109969,7.642356802,8.930641932,19.04962202,0.733365073,0.950552993,6.758662913,1.184983741,0.616633767,0.78953756,0.138428145,0.51655506,0.454285498,0.472952483,8.560280422,12.90722643,26.40606852,0.684306339,1.44379304,6.687124622,1.140193908,0.578577182,0.795527907,0.135642167,0.505677791,0.420527754,0.416114854,8.405895712,12.15332665,24.9706528,0.69329186,1.342320399 +UMLKV0036,L,3-ETHYLHEXANE,CCCC(CC)CC,C8H18,Paraffin (non-normal),octanes,619-99-8,2.751484505,PubChem,,0.5335,0,-0.7606,0.57851236,33.6855,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1362.056143,1377.297103,1135.165085,638.87477,178.815168,18.289152,0,3947.642614,5029.877407,6581.332248,7047.588415,6597.333588,4918.116884,2402.602963,559.5073998,0,181.25648,180.900988,339.41734,440.1943,440.146868,435.285704,307.120896,120.932352,0,30.31423229,39.56609758,56.48150844,63.15070202,61.13785345,50.09140373,28.03475758,8.003032287,0,4342.872585,3643.766351,7578.921305,10352.68609,10341.75226,10706.89277,7939.753089,3328.517736,0,40.77777778,48.58333333,74.08333333,89.83333333,94,89,57,18,0,45.09238923,49.11105724,28.37616965,21.86185878,18.01849341,10.14086937,3.9736704,1.016064,0,151.8324082,201.1950963,137.1110885,111.8664828,104.7195808,78.06534737,53.39117695,31.08374443,0,6.971403077,7.23603952,7.071194583,6.987211111,6.986458222,6.909296889,6.8249088,6.718464,0,1.165932011,1.582643903,1.176698093,1.002392095,0.970442118,0.795101647,0.622994613,0.444612905,0,167.033561,145.7506541,157.8941939,164.3283506,164.1547978,169.9506789,176.4389575,184.917652,0,1.568376068,1.943333333,1.543402778,1.425925926,1.492063492,1.412698413,1.266666667,1,0,0.036732028,-0.006133106,-0.011606024,0.003532533,-0.008054322,-0.006857549,0.001295911,0.009456543,0,670.5194345,-58.02572029,-166.9134917,5.01456842,-237.1174496,-153.3025203,68.77122405,206.3136721,0,1246.859521,-107.9013047,-310.3827653,9.324804107,-440.9300228,-285.0725827,127.8830278,383.6490833,0,0.131350154,-0.01136684,-0.032697207,9.82E-04,-0.04644968,-0.030030911,0.013471811,0.040415432,0,5.574042193,-0.482369036,-1.387555375,0.041686213,-1.971162357,-1.274407083,0.571696635,1.715089906,0,30.27828566,-2.620236259,-7.537222819,0.226440171,-10.70738521,-6.922599499,3.105465196,9.316395587,0,3.017094017,-1.074128863,-0.820019724,0.561143984,-0.09270217,-0.272189349,-0.568047337,0.75739645,0,0.00141277,-2.45E-04,-2.42E-04,5.61E-05,-1.28E-04,-1.09E-04,2.88E-05,5.25E-04,0,25.78920902,-2.321028812,-3.47736441,0.079596324,-3.763769041,-2.433373338,1.528249423,11.46187067,0,47.95613541,-4.316052187,-6.46630761,0.148012764,-6.99888925,-4.52496163,2.841845061,21.31383796,0,0.005051929,-4.55E-04,-6.81E-04,1.56E-05,-7.37E-04,-4.77E-04,2.99E-04,0.002245302,0,0.214386238,-0.019294761,-0.028907404,6.62E-04,-0.031288291,-0.020228684,0.01270437,0.095282773,0,1.164549448,-0.10480945,-0.157025475,0.003594288,-0.169958495,-0.109882532,0.069010338,0.517577533,0,0.116042078,-0.042965155,-0.017083744,0.008907047,-0.001471463,-0.004320466,-0.012623274,0.042077581,0,-0.17364765,-0.171147549,0.039689364,-0.090493398,-0.077047187,0.020384086,0.371867595,0,-0.09,-0.134837963,0.00308642,-0.145943563,-0.094356261,0.059259259,0.444444444,0,-0.09,-0.134837963,0.00308642,-0.145943563,-0.094356261,0.059259259,0.444444444,0,-0.09,-0.134837963,0.00308642,-0.145943563,-0.094356261,0.059259259,0.444444444,0,-0.09,-0.134837963,0.00308642,-0.145943563,-0.094356261,0.059259259,0.444444444,0,-0.09,-0.134837963,0.00308642,-0.145943563,-0.094356261,0.059259259,0.444444444,0,-0.370254958,-0.147220255,0.076757048,-0.012680426,-0.03723189,-0.10878187,0.362606232,0,1.709748436,1.255238973,0.90320431,1.119944994,0.997706218,0.704242671,1.55E-08,0,1.625,1.316550926,1.00308642,1.14638448,0.93143739,0.601851852,0,0,1.625,1.316550926,1.00308642,1.14638448,0.93143739,0.601851852,0,0,1.625,1.316550926,1.00308642,1.14638448,0.93143739,0.601851852,0,0,1.625,1.316550926,1.00308642,1.14638448,0.93143739,0.601851852,0,0,1.625,1.316550926,1.00308642,1.14638448,0.93143739,0.601851852,0,0,1.979461756,1.021379249,0.67954944,1.008363685,1.117968434,1.104815864,0,0,37.55753691,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,37.55753691,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,37.55753691,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,37.55753691,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,37.55753691,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,37.55753691,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,45.91670503,22.86113029,33.35540026,45.77087169,5.721358962,22.86113029,-0.194444444,0.063377393,0.007922174,-2.206918446,27.90719191,3.488398989,2.663107544,0,11.89,12.11011416,-0.16903635,0.051416454,5.284176972,8.585129026,7,25,25,25,7,0,0,0,0,0,19.677726,3.547496606,3.095644743,2.902564078,2.430937305,1.936914777,1.598026915,1.378730131,0.895675055,1.939176041,1.670850977,1.563026335,1.239218042,0.942339425,0.769718516,0.643713924,0.346561785,3.573655674,3.136118768,2.950308951,2.491173128,2.015901025,1.695309721,1.486286383,1.025969325,1.881379222,1.590692337,1.473453684,1.133410318,0.817121444,0.630337185,0.496330364,0.184687206,3.689121125,3.311859847,3.155598408,2.747786254,2.345176837,2.090117344,1.917833899,1.533715745,1.712255118,1.346383519,1.195492746,0.797039565,0.406950703,0.162386152,0.00402419,0.376621571,3.592951089,3.165839402,2.985267979,2.53518086,2.073229048,1.765276817,1.563349475,1.118352427,1.844651038,1.5388752,1.415133181,1.063846602,0.733870512,0.536857124,0.397092637,0.074902837,3.745604252,3.395699434,3.252217518,2.866666098,2.493496762,2.26277616,2.104113247,1.746471688,1.659798258,1.26774713,1.104407163,0.684260419,0.264817635,0.004703131,0.185082511,0.58535839,3.566820943,3.242546399,3.106652036,2.647839166,2.176543578,1.874277641,1.665974741,1.228785683,1.855814227,1.450407129,1.283767308,0.927801169,0.598845771,0.397162369,0.26153494,0.065892726,0,0,0,0,0,3,4,1,0,0,0,0,0,0,0,0,0,0,0,0.204124145,0,0,0,0.204124145,0,0,0,0.552585858,0.637136847,0.288675135,0.552585858,0.637136847,0.288675135,6.405777394,3.846065215,2.471197119,1.851623963,1.105171716,0.40824829,0,0,0.800722174,0.549437888,0.35302816,0.264517709,0.221034343,0.204124145,0,0,6.405777394,3.846065215,2.471197119,1.851623963,1.105171716,0.40824829,0,0,0.800722174,0.549437888,0.35302816,0.264517709,0.221034343,0.204124145,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,6.82537037,0,5.507962963,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.262222222,0,1.353518519,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.281574074,0,1.423611111,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.666666667,0.2,2.281574074,0.2,1,6.028398148,0.333333333,0.281574074,1.650740741,0.333333333,0.281574074,1.650740741,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.375,0.125,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.55678,1.0696,8.55678,0,0,3.84606,0.48076,3.84606,0,0,0.06794,0.00849,0.06794,0.00849,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.420277698,2.88181616,2.950063756,2.694448682,23.15278265,34.39789514,62.92722016,74.92722016,76.70165767,70.05566573,0.189448582,0.281462171,0.514904529,0.613095015,0.627614422,0.573233324,3.809948078,3.377443751,2.28016202,1.818623558,1.750375962,2.005991036,0.191756937,0.284891675,0.521178434,0.620565332,0.635261652,0.580217942,6.648700044,11.83875197,15.48127572,15.94642574,16.01520737,12.94782648,31.72521615,24.13720728,22.27517352,20.88988165,20.81657342,16.67704054,8,5.142857143,3.673469388,8,0,6,2.34,1.2358,0.646330407,4.947300964,1.310370697,0,2.941682753,3.363585661,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.538,7,7,5,2,0,0,0,0,0,36,2.079441542,2.079441542,2.079441542,1.791759469,1.098612289,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,7,1,0,3,5,0.666666667,1.5,0.666666667,0.375,0.16,0,0,0,0,0,0,0.214285714,0.095238095,0.053571429,0.032,0,0,0,0,0,0,0.395095238,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,0,146.9243357,4,3.36729583,4.043051268,4.744932128,5.442417711,6.150602768,6.853299093,7.562681247,8.266935348,8.976514972,70.40773036,2.708050201,0,3.761200116,0,5.030437921,0,6.388561406,0,7.78113851,8.072467369,114.1408506,4.390032714,14.6658707,1.833233838,0,0,0,72,7,4.831,28,1.2278,2.11761443,2.867314105,3.535642274,4.192595966,4.989712438,6.628040739,0,0,0,71.2221278,68.08752346,70.35652891,72.14687259,51.18786586,23.56276632,6.734513586,0,0,0,272.5498825,313.605011,342.9384914,396.4365536,356.139448,294.5796762,206.0243244,0,0,0,8.919363223,15.02844115,20.08589362,24.7693506,29.04969728,34.18876624,44.5302531,0,0,0,2.081648384,2.634998592,3.010384415,3.597294944,3.522001361,3.333850224,2.946912447,0,0,0,176.77647,330.4239685,467.4711205,575.3980714,706.4092069,869.6715378,1225.641731,0,0,0,2.44583,3.360560698,4.185516642,5.403274775,6.098159913,6.657087708,6.628040739,0,0,0,0.4321989,0.557170835,0.642420151,0.771244323,0.76623773,0.740377391,0.678711372,0,0,0,390.9629591,174.901069,9.558501541,142.6825317,-63.83041344,-8.6679191,248.2804274,238.7314825,18.22642064,0.732626745,0.327747675,0.017911707,0.267373255,-0.119612017,-0.016242841,208.6356201,93.3351668,5.100851245,76.14188963,-34.06281231,-4.625595942,0.066759773,0.145652099,1.067771895,9.481763523,533.6454907,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,751.7055593,27.4172493,9.092484877,1.904241203,1.764330984,566.7375967,500.5117965,130.0229439,1.132316163,4.358750693,3.849411354,4.280903147,4.466158665,7.63628977,0.709811572,5.020210116,7.00510621,3.819058189,24.39434377,11.60890815,7.000494064,7.439062474,12.56563857,7.960317526,8.611440563,3.184614974,3.468104755,1.562544689,1.26780722,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311436,6.64190281,0.271348935,8.433148863,1.088135161,1.095008842,0.543307196,0.60095221,2.181247442,1.052197725,0.024886957,0.055740232,0.128005111,0.00892927,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.36004468,6.666176984,0.908339148,10.32903466,1.82492213,1.866554753,1.496222597,2.198018757,3.006691664,1.871159596,0.239386728,0.322456327,0.415277519,0.093049877,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668827,6.965231145,3.571031093,22.93533284,10.46576545,6.48546875,6.856067306,11.534172,7.481227302,7.8925275,2.838893341,3.107146077,1.472760611,1.129593408,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.00445563,6.697645914,1.371496392,12.03494671,2.749577362,2.525027614,2.285365706,3.545306614,3.678498752,2.648333933,0.51444898,0.633171096,0.614128249,0.202116767,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630795,7.172774538,4.772406117,30.34354084,16.40810584,9.081683872,9.780255152,16.72418371,9.876441377,11.56408163,4.637575143,4.97722063,1.897203098,1.84897768,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.145998298,6.021717001,2.174037903,14.52353689,4.826291347,3.692001165,3.73535275,5.590217255,5.217628734,4.781418987,1.156516672,1.367605751,1.110382886,0.456410599,1.29E-06,2.88E-33,1.23E-81,1.02E-151,1.63E-243,0,0,0,0,0,0,0,0,0,0,0,5.018402834,1.331081255,0.709546992,0.710919498,0.1885643,0.506886086,0.456144373,0.446321135,7.059031082,11.18515928,22.9838947,0.566379247,1.409351594,4.10575412,0.860326028,0.279985731,0.782634876,0.163994515,0.339297254,0.190864238,0.069477413,5.246065878,4.92271871,11.15777458,0.673952315,0.599638905,4.481876686,1.054350644,0.457069804,0.747814865,0.175921637,0.404297863,0.286467214,0.18518964,5.993297134,7.255911909,15.40907849,0.621722297,0.875954717,4.997136788,1.320113305,0.699542261,0.712168258,0.188136293,0.502598996,0.448674738,0.433823672,7.016792354,11.01597017,22.64749365,0.568252387,1.385097406,4.643583729,1.137760454,0.533180387,0.73538137,0.180181491,0.433996074,0.333488603,0.252010756,6.314524571,8.365785263,17.49725427,0.603072055,1.019495433,5.084573034,1.36520818,0.740675849,0.707127932,0.189863894,0.520342171,0.479779087,0.486340142,7.190457063,11.71869787,24.05055686,0.560691898,1.486461401,5.017897722,1.322663581,0.700544934,0.712657579,0.187848832,0.506781165,0.450218965,0.435108598,7.041106236,11.07883867,22.76945502,0.568986368,1.392108728 +UMLKV0037,L,"2,2-DIMETHYLHEXANE",CCCCC(C)(C)C,C8H18,Paraffin (non-normal),Alkanes,590-73-8,2.736992823,PubChem,,0.6235,0,1.0939,1.19661721,35.7141,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1604.188161,1268.257373,899.29594,675.105483,236.216736,27.433728,0,3947.642614,5029.877407,7031.587075,7601.168051,5927.879111,4081.819666,2624.766494,839.2610996,0,181.25648,180.900988,339.464772,444.936884,556.265488,311.98206,249.049728,181.398528,0,30.31423229,39.56609758,58.49435701,69.16503031,60.10728459,39.0812073,28.04682987,12.00454843,0,4342.872585,3643.766351,7589.85513,9960.211008,14046.34434,7574.612576,6084.723595,4992.776605,0,42.3125,49.875,77.375,106.375,103,65.25,54,27,0,45.09238923,49.11105724,33.42058669,20.13106941,11.10241901,15.00234407,6.561576,1.016064,0,151.8324082,201.1950963,146.4913974,120.6534611,73.18369273,90.70710369,72.9101804,31.08374443,0,6.971403077,7.23603952,7.07218275,7.062490222,6.86747516,6.932934667,6.918048,6.718464,0,1.165932011,1.582643903,1.218632438,1.097857624,0.742065242,0.868471273,0.779078607,0.444612905,0,167.033561,145.7506541,158.1219819,158.0985874,173.4116585,168.3247239,169.0200999,184.917652,0,1.627403846,1.995,1.611979167,1.688492063,1.271604938,1.45,1.5,1,0,0.035536039,-0.007787753,0.007856318,-0.035923679,0.015800727,0.002828614,-0.015115395,0.014573148,0,670.5194345,-58.02572029,75.2185263,-684.1304059,295.1431699,-15.04370526,-257.8920902,309.4705082,0,1246.859521,-107.9013047,139.8720616,-1272.169703,548.8313274,-27.97441232,-479.5613541,575.4736249,0,0.131350154,-0.01136684,0.014734793,-0.13401645,0.057816521,-0.002946959,-0.05051929,0.060623148,0,5.574042193,-0.482369036,0.625293195,-5.687190485,2.453531393,-0.125058639,-2.143862382,2.572634858,0,30.27828566,-2.620236259,3.396602558,-30.89290898,13.32762147,-0.679320512,-11.64549448,13.97459338,0,3.540865385,-1.98881287,2.414940828,-3.916327663,1.233265533,1.386002219,-2.220044379,1.320543639,0,0.001366771,-3.12E-04,1.64E-04,-5.70E-04,1.95E-04,6.29E-05,-4.20E-04,5.40E-04,0,25.78920902,-2.321028812,1.567052631,-10.85921279,3.643742838,-0.334304561,-7.163669172,11.46187067,0,47.95613541,-4.316052187,2.914001283,-20.19316989,6.7756954,-0.621653607,-13.32114872,21.31383796,0,0.005051929,-4.55E-04,3.07E-04,-0.002127245,7.14E-04,-6.55E-05,-0.001403314,0.002245302,0,0.214386238,-0.019294761,0.013026942,-0.090272865,0.030290511,-0.002779081,-0.059551733,0.095282773,0,1.164549448,-0.10480945,0.070762553,-0.490363635,0.164538537,-0.015096011,-0.323485958,0.517577533,0,0.13618713,-0.079552515,0.050311267,-0.062163931,0.0152255,0.030800049,-0.061667899,0.048909024,0,-0.227916871,0.11975182,-0.417200276,0.142723797,0.045990225,-0.307200093,0.394906202,0,-0.09,0.060763889,-0.421075838,0.141289438,-0.012962963,-0.277777778,0.444444444,0,-0.09,0.060763889,-0.421075838,0.141289438,-0.012962963,-0.277777778,0.444444444,0,-0.09,0.060763889,-0.421075838,0.141289438,-0.012962963,-0.277777778,0.444444444,0,-0.09,0.060763889,-0.421075838,0.141289438,-0.012962963,-0.277777778,0.444444444,0,-0.09,0.060763889,-0.421075838,0.141289438,-0.012962963,-0.277777778,0.444444444,0,-0.584141208,0.369427472,-0.45645966,0.111798379,0.226159765,-0.452817379,0.359131025,0,1.763283632,0.940820702,1.593279874,0.603326428,0.881922287,1.300651208,9.25E-05,0,1.625,1.128472222,1.57627866,0.612997257,0.902777778,1.128472222,0,0,1.625,1.128472222,1.57627866,0.612997257,0.902777778,1.128472222,0,0,1.625,1.128472222,1.57627866,0.612997257,0.902777778,1.128472222,0,0,1.625,1.128472222,1.57627866,0.612997257,0.902777778,1.128472222,0,0,1.625,1.128472222,1.57627866,0.612997257,0.902777778,1.128472222,0,0,2.188730482,0.478049332,1.747594263,0.542061636,0.66191446,1.765105227,0,0,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,47.85390908,23.80195454,37.41143796,47.66640908,5.958301135,23.80195454,-0.25,0.129772204,0.016221526,-1.633579713,75.72511441,9.465639302,3.461687894,0,11.89,12.11011416,-0.159448846,0.061790222,5.205589227,8.7472726,7,25,25,25,7,0,0,0,0,0,19.677726,3.57125256,3.191579358,2.54473899,2.333552793,2.333552793,1.812824763,1.254133619,0.464899437,1.945383925,1.719364226,1.311224379,1.249629723,1.249629723,0.866487835,0.57735301,0.083923071,3.595612306,3.227979241,2.601081114,2.405454588,2.405454588,1.896469961,1.368377689,0.569922726,1.889120504,1.644385963,1.209577427,1.134540686,1.134540686,0.736565279,0.425224355,0.270913902,3.70435032,3.387219397,2.842426826,2.704236987,2.704236987,2.243648668,1.823342829,0.966354442,1.726357108,1.418750942,0.889018129,0.76031856,0.76031856,0.308479981,0.094855811,0.943918427,3.613648314,3.254768858,2.642312746,2.457539916,2.457539916,1.957099657,1.450028521,0.643703622,1.853519995,1.596162629,1.142952992,1.058262671,1.058262671,0.649998988,0.322540888,0.399277246,3.758199523,3.463942957,2.955034526,2.838982085,2.838982085,2.399146568,2.018070404,1.207644823,1.676557494,1.347053394,0.782465777,0.631337262,0.631337262,0.159166486,0.284658169,1.124415117,3.592511384,3.288705391,2.710328052,2.629038207,2.629038207,2.021910218,1.534677028,0.640305431,1.864826249,1.54234601,1.046084893,0.883583662,0.883583662,0.548613506,0.204748666,0.581818182,0,0,0,0,0,4,3,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.560660172,0.353553391,0,0,0.75,0.780330086,0.707106781,0.75,0.780330086,0.707106781,6.621320344,3.560660172,3.664213562,1.280330086,0.707106781,0.530330086,0,0,0.827665043,0.508665739,0.40713484,0.256066017,0.176776695,0.176776695,0,0,6.621320344,3.560660172,3.664213562,1.280330086,0.707106781,0.530330086,0,0,0.827665043,0.508665739,0.40713484,0.256066017,0.176776695,0.176776695,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,56,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,9.124722222,0,4.073680556,0,0,0,0,0,0,0,0,0,0.551597222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.241805556,0,1.330625,0,0,0,0,0,0,0,0,0,0.551597222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.294305556,0,1.378472222,0,0,0,0,0,0,0,0,0,0.551597222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.75,1.71875,0.2,2.294305556,0,0.551597222,6.040535347,0.698402778,0.294305556,2.249444444,0.698402778,0.294305556,2.249444444,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0,0.125,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.21764,1.15221,9.21764,0,0,3.56066,0.44508,3.56066,0,0,0.35334,0.04417,0.35334,0.04417,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.266431544,2.82374789,2.556262566,2.270619836,23.15278265,34.39789514,58.92722016,73.41744515,66.46282671,59.03611572,0.189448582,0.281462171,0.482174367,0.60074122,0.543834773,0.483065409,3.809948078,3.377443751,2.434008174,1.876691828,2.144177152,2.429819883,0.191756937,0.284891675,0.488049468,0.608061011,0.550461182,0.488951368,6.648700044,11.83875197,16.17177764,14.72320287,13.56585183,12.20153287,31.72521615,24.13720728,21.00134079,22.66511845,25.17010226,17.61068002,8,3.111111111,7.2,8,0,6,2.34,1.2358,1.897366596,4.669630297,0,2.828427125,2.381101578,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,3.354,9,5,4,3,0,0,0,0,0,36,2.079441542,2.302585093,1.791759469,1.609437912,1.386294361,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,3,0.666666667,0.375,0.24,0,0,0,0,0,0,0.428571429,0.074074074,0.075,0.06,0,0,0,0,0,0,0.637645503,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,0,146.9243357,4,3.496507561,4.110873864,4.934473933,5.579729826,6.408528791,7.065613364,7.89469085,8.556990661,9.385721231,72.43313008,2.708050201,0,3.931825633,0,5.303304908,0,6.736966958,0,8.201111644,8.467792841,114.1408506,4.390032714,14.44048295,1.805060369,0,0,0,71,5,4.868,32,1.2278,2.116401194,2.918587944,3.465007628,4.405258471,5.484764116,6.138480966,0,0,0,71.2221278,80.92015264,64.93105719,47.51698448,79.38511742,38.05173506,6.237089524,0,0,0,272.5498825,339.0696678,368.8246048,281.8680127,446.8544443,415.4553899,190.8069735,0,0,0,8.919363223,15.03311663,20.64646756,23.86982524,30.68595721,38.01811056,41.24116338,0,0,0,2.081648384,2.75612872,3.303131567,2.751356493,4.142634869,4.397490145,2.729247854,0,0,0,176.77647,329.9402209,459.0385968,595.4077814,730.5638275,921.1211796,1135.113487,0,0,0,2.497185,3.568658161,5.001883782,4.544397236,6.732779766,8.413155912,6.138480966,0,0,0,0.4321989,0.579781655,0.705309239,0.598803461,0.892148095,0.964586557,0.628580451,0,0,0,391.5381323,172.283213,9.44649474,156.457041,-68.84366936,-9.456088369,235.0810913,241.1268824,18.90258311,0.714491936,0.314388194,0.017238281,0.285508064,-0.12562824,-0.017255788,214.5610067,94.41036917,5.176633522,85.73770331,-37.72599852,-5.181890785,0.061439737,0.148349132,0.975886085,9.657336922,547.9951733,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,748.8234176,27.36463809,9.080849384,1.797339331,1.797339331,558.7789879,550.8463865,129.478073,1.01440075,4.315626382,4.2543604,4.336544553,4.466158665,7.63628977,0.709811572,5.020209962,6.639770612,3.078537103,25.09560717,6.09810022,6.420934497,6.785246272,14.29731964,5.763973498,4.720457044,4.717288053,0.747575036,2.359766293,1.267677842,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327565,0.173783531,9.630483387,1.041256612,0.180591252,0.481350622,0.696664756,2.094706304,0.156213696,0.130201999,0.012978944,0.133620008,0.008928359,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639357879,0.616724454,11.75333883,1.399740853,0.81897146,1.314231678,2.500080954,2.607983233,0.661929297,0.594717192,0.062150911,0.473789074,0.093040381,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.63972222,2.847651788,23.78308167,5.550182168,5.814119246,6.238759141,13.1205644,5.455961186,4.29035254,4.269560292,0.666952819,2.183070706,1.129478135,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.63939654,0.965322037,13.51760064,1.845872048,1.445864917,2.020744317,4.02690442,3.030315586,1.135558726,1.053681534,0.125828036,0.741223166,0.202096141,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.639973935,3.993645313,30.37059326,8.397413259,8.922925757,8.990954092,19.04505166,6.999078908,6.4840317,6.564535788,1.086561589,3.059875882,1.848788995,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.115572728,5.418217405,1.312044094,17.13171527,2.780460653,2.757057474,3.04471913,6.676754047,3.808500971,2.036259648,2.022499939,0.261127894,1.313975984,0.429124665,1.22E-06,2.71E-33,1.16E-81,9.60E-152,1.53E-243,0,0,0,0,0,0,0,0,0,0,0,5.099727857,1.100412859,1.021895088,0.706134391,0.15236879,0.513950869,0.471414498,0.463843564,7.222035804,11.94769945,24.90441235,0.559201587,1.44920893,4.294087041,0.602893026,0.532345256,0.790906197,0.11104382,0.365308142,0.141786134,0.125876798,5.429325323,5.195759236,12.00325995,0.686359295,0.632971075,4.626048027,0.808042386,0.734117984,0.749982447,0.131001149,0.423497885,0.254524111,0.23938153,6.168208397,7.727306386,16.63967929,0.62497367,0.917403526,5.080949681,1.088829808,1.010489485,0.70762665,0.151641925,0.510198864,0.461569358,0.453547219,7.180268973,11.76678676,24.53737606,0.561439975,1.425315441,4.768795642,0.896193276,0.820858114,0.735261812,0.138176752,0.449837896,0.312974651,0.299291996,6.485847033,8.923914712,18.91791445,0.602892718,1.062104543,5.158158539,1.136451264,1.057383672,0.701599989,0.154577295,0.525713478,0.502704884,0.496619892,7.351993474,12.51781341,26.06818552,0.552399983,1.525038254,5.094696684,1.0909593,1.013817623,0.707648498,0.151533204,0.5129135,0.463324537,0.456539737,7.199473607,11.82923378,24.66361394,0.561472747,1.432777774 +UMLKV0038,L,"2,3-DIMETHYLHEXANE",CCCC(C)C(C)C,C8H18,Paraffin (non-normal),octanes,584-94-1,2.740584594,PubChem,,0.583,0,0.7252,0.52591504,36.0652,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1483.122152,1443.843247,1023.243652,572.328626,169.670592,18.289152,0,3947.642614,5029.877407,6806.459662,7549.505646,6651.959874,4416.199653,2122.849263,559.5073998,0,181.25648,180.900988,339.441056,442.589308,500.589328,432.890696,246.65472,120.932352,0,30.31423229,39.56609758,57.48793273,67.16429045,64.1329453,46.0778153,24.03324144,8.003032287,0,4342.872585,3643.766351,7584.388218,10161.91546,12000.54422,10897.6634,6275.494221,3328.517736,0,42.05555556,49.69444444,75.33333333,99,106.3333333,84,48,18,0,45.09238923,49.11105724,30.89837817,22.91814678,14.21171739,9.084581365,4.713072,1.016064,0,151.8324082,201.1950963,141.801243,119.833423,92.38833159,70.09840718,58.96803508,31.08374443,0,6.971403077,7.23603952,7.071688667,7.025227111,6.952629556,6.871280889,6.85152,6.718464,0,1.165932011,1.582643903,1.197665265,1.066099848,0.890735351,0.731393894,0.66759004,0.444612905,0,167.033561,145.7506541,158.0080879,161.3002454,166.6742252,172.9787841,174.3192839,184.917652,0,1.617521368,1.987777778,1.569444444,1.571428571,1.476851852,1.333333333,1.333333333,1,0,0.036023545,-0.007300622,-0.003105822,-0.006726247,-0.011367872,0.004471888,-0.003538078,0.009554982,0,670.5194345,-58.02572029,-45.8474827,-218.4919097,-255.0266225,70.20395788,-34.38561202,206.3136721,0,1246.859521,-107.9013047,-85.25535183,-406.2950361,-474.2328946,130.5472575,-63.94151388,383.6490833,0,0.131350154,-0.01136684,-0.008981207,-0.042801065,-0.049957964,0.013752473,-0.006735905,0.040415432,0,5.574042193,-0.482369036,-0.38113109,-1.816327851,-2.120041689,0.583606982,-0.285848318,1.715089906,0,30.27828566,-2.620236259,-2.070310131,-9.866321716,-11.5161001,3.170162387,-1.552732598,9.316395587,0,3.487179487,-1.724852071,0.382642998,0.018244576,-1.220907298,0.851577909,-0.905325444,0.855029586,0,0.001385521,-2.92E-04,-6.47E-05,-1.07E-04,-1.58E-04,7.10E-05,-9.83E-05,5.31E-04,0,25.78920902,-2.321028812,-0.95515589,-3.468125551,-3.542036424,1.114348538,-0.95515589,11.46187067,0,47.95613541,-4.316052187,-1.776153163,-6.449127557,-6.58656798,2.07217869,-1.776153163,21.31383796,0,0.005051929,-4.55E-04,-1.87E-04,-6.79E-04,-6.94E-04,2.18E-04,-1.87E-04,0.002245302,0,0.214386238,-0.019294761,-0.007940231,-0.028830601,-0.029445023,0.009263603,-0.007940231,0.095282773,0,1.164549448,-0.10480945,-0.043131461,-0.156608281,-0.159945835,0.050320038,-0.043131461,0.517577533,0,0.134122288,-0.068994083,0.007971729,2.90E-04,-0.016957046,0.01351711,-0.025147929,0.047501644,0,-0.210769008,-0.046700575,-0.077058256,-0.113955051,0.051231518,-0.070933575,0.383128316,0,-0.09,-0.037037037,-0.134479718,-0.137345679,0.043209877,-0.037037037,0.444444444,0,-0.09,-0.037037037,-0.134479718,-0.137345679,0.043209877,-0.037037037,0.444444444,0,-0.09,-0.037037037,-0.134479718,-0.137345679,0.043209877,-0.037037037,0.444444444,0,-0.09,-0.037037037,-0.134479718,-0.137345679,0.043209877,-0.037037037,0.444444444,0,-0.09,-0.037037037,-0.134479718,-0.137345679,0.043209877,-0.037037037,0.444444444,0,-0.514411765,0.059436275,0.002159197,-0.126429739,0.100781979,-0.1875,0.354166667,0,1.74617111,1.10355879,1.136696138,1.084392143,0.749737928,0.873692882,2.09E-05,0,1.625,1.222511574,1.21803351,1.065779321,0.7164903,0.752314815,0,0,1.625,1.222511574,1.21803351,1.065779321,0.7164903,0.752314815,0,0,1.625,1.222511574,1.21803351,1.065779321,0.7164903,0.752314815,0,0,1.625,1.222511574,1.21803351,1.065779321,0.7164903,0.752314815,0,0,1.625,1.222511574,1.21803351,1.065779321,0.7164903,0.752314815,0,0,2.126838235,0.771675858,1.005193744,1.145067402,0.730187908,1.194852941,0,0,36.36295528,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,1.07E-14,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,36.36295528,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,1.07E-14,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,36.36295528,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,1.07E-14,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,36.36295528,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,1.07E-14,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,36.36295528,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,1.07E-14,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,36.36295528,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,1.07E-14,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,47.61019995,23.67662775,36.28758522,47.41749162,5.927186452,23.67662775,-0.256944444,0.070492973,0.008811622,-2.121793797,44.93813846,5.617267307,3.044229474,0,11.89,12.11011416,-0.163405954,0.057491962,5.284181949,8.585130436,7,25,25,25,7,0,0,0,0,0,19.677726,3.564578259,3.142620643,2.755690837,2.333552793,2.232858563,1.606172094,1.280298168,0.815968603,1.944821197,1.693732656,1.462431343,1.249629723,1.138422436,0.7231645,0.555135169,0.293018372,3.589679474,3.180949203,2.806781694,2.405454588,2.302844544,1.696156481,1.389534726,0.948567065,1.888168012,1.616117162,1.367065751,1.134540686,1.0235637,0.586994937,0.407724298,0.128482014,3.701005283,3.348151005,3.026931031,2.704236987,2.596224924,2.066933117,1.826349433,1.465827863,1.72341157,1.381151209,1.069722595,0.76031856,0.651663112,0.135713468,0.094839549,0.442828738,3.608223213,3.209135616,2.84423232,2.457539916,2.353708846,1.761221273,1.467721626,1.042641887,1.85225364,1.566076462,1.304838453,1.058262671,0.947538182,0.49608725,0.308319902,0.016830175,3.75576927,3.428379591,3.130535196,2.838982085,2.729578068,2.231688554,2.014075277,1.682543989,1.672652841,1.306059322,0.972008991,0.631337262,0.524315499,0.022900049,0.277585574,0.655494846,3.577142295,3.259271789,2.961466207,2.634654398,2.457518917,1.829009002,1.54509417,1.139981453,1.871442855,1.500861069,1.174789618,0.878556837,0.818797869,0.391000613,0.197867844,0.112105304,0,0,0,0,0,4,2,2,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.569035594,0,0.23570226,0,1.207106781,0.666666667,0.666666667,1.207106781,0.666666667,0.666666667,6.568914101,3.680739213,3.009975955,1.882088123,0.788675135,0.333333333,0,0,0.821114263,0.525819888,0.376246994,0.268869732,0.197168784,0.166666667,0,0,6.568914101,3.680739213,3.009975955,1.882088123,0.788675135,0.333333333,0,0,0.821114263,0.525819888,0.376246994,0.268869732,0.197168784,0.166666667,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.160416667,0,2.719259259,0,0,0,1.786990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.248888889,0,1.332685185,0,0,0,0.870324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.327546296,0,1.386574074,0,0,0,0.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.708333333,0.2,2.327546296,0.2,0.870324074,6.027454028,0.463009259,0.327546296,2.320833333,0.463009259,0.327546296,2.320833333,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0.25,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.01229,1.12654,9.01229,0,0,3.68073,0.46009,3.68073,0,0,0.23327,0.02916,0.23327,0.02916,0,7,0,0,0,0,0,0,1,0.89049164,1.352030102,2.478345968,3.189508468,3.507380102,3.068884739,23.15278265,35.15278265,64.43699516,82.92722016,91.19188266,79.79100323,0.189448582,0.287639068,0.527258324,0.678555339,0.746181275,0.652893117,3.809948078,3.348409616,2.22209375,1.510931251,1.193059616,1.631554979,0.191756937,0.291143835,0.533682756,0.686823264,0.755273195,0.660848358,6.648700044,12.18716158,16.3853503,18.26677788,18.58713687,13.32519251,31.72521615,23.41346491,20.30332596,17.2708372,16.51025192,15.587175,8,3.9375,3.673469388,8,0,6,2.34,1.2358,1.72030651,3.150627212,4.521745165,0,1,2.149139864,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,3.31,8,7,4,2,0,0,0,0,0,36,2.079441542,2.197224577,2.079441542,1.609437912,1.098612289,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,2,1.111111111,0.375,0.16,0,0,0,0,0,0,0.285714286,0.138888889,0.053571429,0.04,0,0,0,0,0,0,0.518174603,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,0,146.9243357,4,3.433987204,4.110873864,4.844187086,5.556828062,6.289715571,7.01301579,7.744569809,8.471568013,9.202207389,71.66695279,2.708050201,0,3.850147602,0,5.176149733,0,6.577861358,0,8.011355109,8.288283045,114.1408506,4.390032714,14.49604135,1.812005168,0,0,0,70,7,4.77,30,1.2278,2.116942009,2.892113875,3.525657447,4.322663141,5.452718765,6.36847156,0,0,0,71.2221278,74.49919381,74.9659962,60.03110189,47.82739106,27.94486325,6.470774688,0,0,0,272.5498825,326.3003669,370.1873692,357.9654271,336.5859243,338.4748734,197.9559424,0,0,0,8.919363223,15.03016952,20.36648997,24.60132367,29.81514646,37.44023868,42.78634691,0,0,0,2.081648384,2.695254639,3.223798656,3.349020441,3.39430983,3.775631794,2.83150464,0,0,0,176.77647,330.1832551,463.0647242,581.0240432,739.0661882,944.0758809,1177.642808,0,0,0,2.491652222,3.442533592,4.659950637,5.389330385,6.02574831,7.472780394,6.36847156,0,0,0,0.4321989,0.568411947,0.68633069,0.721773567,0.741483006,0.836318882,0.652131488,0,0,0,393.9273135,174.2457451,9.48213876,146.8652023,-64.9628389,-8.926187193,247.0621112,239.208584,18.40832595,0.728425971,0.322204431,0.017533783,0.271574029,-0.120125255,-0.016505752,213.0329429,94.23079487,5.127869676,79.42360225,-35.13141709,-4.827215229,0.067521354,0.147308398,0.884276712,9.589586469,540.7925158,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,746.9549217,27.33047606,9.07329012,1.499478194,1.243862349,582.3960353,479.6633121,143.1793848,1.214176737,4.067596993,3.350086416,4.339155828,4.466158665,7.63628977,0.709811572,5.020209962,6.639712793,3.013565844,25.69186854,8.1312814,5.001251206,7.9048014,18.46014921,8.131692427,4.215861543,4.174705492,0.410757475,1.952300582,1.267677768,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327158,0.183344747,8.70417369,1.544863857,0.108803921,0.717010875,0.92347179,2.122239065,0.109750566,0.079119959,0.010595825,0.130750194,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639353636,0.637696202,11.00383624,1.999704037,0.556003289,1.882338446,3.3129853,2.837109035,0.514878692,0.433473113,0.037402441,0.443883397,0.093040376,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639670705,2.796662113,24.2387339,7.413358851,4.506653134,7.35798417,16.96554977,7.582744506,3.81130142,3.753587283,0.366846941,1.820026094,1.129478069,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.639387323,0.986221481,12.92925265,2.576074671,1.026729573,2.771925907,5.306675616,3.479805185,0.921558061,0.819735271,0.072097839,0.676264037,0.202096129,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.639889611,3.866212245,31.54128436,11.14675138,7.054030695,10.05066678,24.47201099,10.36977213,5.887697863,5.92738104,0.595380337,2.465625438,1.848788887,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.121827968,5.534127292,1.383549513,15.86280738,4.000045433,2.032623753,4.215846701,8.971781162,4.827711628,1.704461012,1.650682459,0.148861965,1.190429513,0.434373822,1.23E-06,2.74E-33,1.17E-81,9.71E-152,1.55E-243,0,0,0,0,0,0,0,0,0,0,0,4.847348613,1.673203822,0.584092069,0.68227884,0.235508451,0.493418202,0.44320762,0.438450648,7.104644504,11.91920519,23.76118813,0.52341826,1.37507647,4.025387496,1.077120485,0.177103589,0.762440085,0.2040151,0.34125029,0.184955989,0.041000799,5.279611571,5.239499811,11.28700197,0.643660128,0.567207079,4.364008411,1.322856137,0.344952111,0.723498186,0.219313055,0.400549585,0.278144232,0.154446593,6.031816659,7.734651239,15.75786102,0.585247279,0.833140411,4.828184312,1.65932107,0.574619238,0.683673055,0.234960605,0.489551664,0.435950129,0.424508462,7.06212462,11.73935336,23.40504458,0.525509582,1.350010255,4.50964906,1.428471511,0.417061727,0.709601841,0.224772704,0.427514057,0.323930366,0.225087519,6.355182298,8.918468026,17.96032243,0.564402762,0.976531943,4.906982324,1.716398683,0.613564295,0.67804607,0.237171709,0.505547156,0.466165739,0.483233793,7.236945302,12.4862081,24.89079928,0.517069106,1.454946687,4.84249163,1.665811762,0.575075602,0.68364147,0.235171909,0.492417805,0.439282093,0.424813307,7.083378994,11.80944601,23.53177558,0.525462205,1.356513206 +UMLKV0039,L,"2,4-DIMETHYLHEXANE",CCC(C)CC(C)C,C8H18,Paraffin (non-normal),octanes,589-43-5,2.740622854,PubChem,,0.7057,0,0.532,0.283024,36.4788,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1483.122152,1322.777238,1077.763517,629.730194,178.815168,18.289152,0,3947.642614,5029.877407,6806.459662,7324.378233,6375.170056,4638.363184,2402.602963,559.5073998,0,181.25648,180.900988,339.441056,442.565592,498.218036,374.819528,307.120896,120.932352,0,30.31423229,39.56609758,57.48793273,66.15786616,61.12578116,46.08988759,28.03475758,8.003032287,0,4342.872585,3643.766351,7584.388218,10156.44855,12196.78175,9042.633905,7939.753089,3328.517736,0,42.05555556,49.66666667,75.69444444,98.66666667,100.3333333,81,57,18,0,45.09238923,49.11105724,30.89837817,20.9964641,14.96893774,11.66167026,3.9736704,1.016064,0,151.8324082,201.1950963,141.801243,116.259972,88.54402856,85.89561452,53.39117695,31.08374443,0,6.971403077,7.23603952,7.071688667,7.024850667,6.919694944,6.94110237,6.8249088,6.718464,0,1.165932011,1.582643903,1.197665265,1.05012486,0.848969183,0.853516437,0.622994613,0.444612905,0,167.033561,145.7506541,158.0080879,161.213469,169.3997466,167.4561834,176.4389575,184.917652,0,1.617521368,1.986666667,1.576967593,1.566137566,1.393518519,1.5,1.266666667,1,0,0.036019739,-0.006995104,-0.002153772,-0.016225517,0.008513475,-0.012088906,0.00138496,0.009554995,0,670.5194345,-58.02572029,-45.8474827,-339.5579187,89.54586464,-256.4593563,68.77122405,206.3136721,0,1246.859521,-107.9013047,-85.25535183,-631.4224495,166.5143591,-476.8971243,127.8830278,383.6490833,0,0.131350154,-0.01136684,-0.008981207,-0.066517065,0.01754142,-0.050238627,0.013471811,0.040415432,0,5.574042193,-0.482369036,-0.38113109,-2.822752136,0.74439666,-2.131952035,0.571696635,1.715089906,0,30.27828566,-2.620236259,-2.070310131,-15.3332344,4.043574474,-11.58079729,3.105465196,9.316395587,0,3.487179487,-1.752629849,0.743754109,-1.533037475,1.304733728,-0.883629191,-0.477810651,0.855029586,0,0.001385375,-2.80E-04,-4.49E-05,-2.58E-04,1.18E-04,-2.24E-04,3.08E-05,5.31E-04,0,25.78920902,-2.321028812,-0.95515589,-5.389808234,1.243692565,-4.74924734,1.528249423,11.46187067,0,47.95613541,-4.316052187,-1.776153163,-10.02257856,2.312699431,-8.831428228,2.841845061,21.31383796,0,0.005051929,-4.55E-04,-1.87E-04,-0.001055826,2.44E-04,-9.30E-04,2.99E-04,0.002245302,0,0.214386238,-0.019294761,-0.007940231,-0.044805589,0.010338843,-0.039480593,0.01270437,0.095282773,0,1.164549448,-0.10480945,-0.043131461,-0.243384673,0.056160757,-0.214459209,0.069010338,0.517577533,0,0.134122288,-0.070105194,0.015494877,-0.024333928,0.018121302,-0.016363504,-0.010618014,0.047501644,0,-0.201970052,-0.032388529,-0.185904881,0.08535071,-0.161594291,0.022215568,0.383169348,0,-0.09,-0.037037037,-0.208994709,0.048225309,-0.184156379,0.059259259,0.444444444,0,-0.09,-0.037037037,-0.208994709,0.048225309,-0.184156379,0.059259259,0.444444444,0,-0.09,-0.037037037,-0.208994709,0.048225309,-0.184156379,0.059259259,0.444444444,0,-0.09,-0.037037037,-0.208994709,0.048225309,-0.184156379,0.059259259,0.444444444,0,-0.09,-0.037037037,-0.208994709,0.048225309,-0.184156379,0.059259259,0.444444444,0,-0.522696078,0.115527982,-0.181430906,0.135110294,-0.122004357,-0.079166667,0.354166667,0,1.736836292,1.097051805,1.26310628,0.77917945,1.144207119,0.699032655,1.87E-05,0,1.625,1.222511574,1.28968254,0.815007716,1.086676955,0.601851852,0,0,1.625,1.222511574,1.28968254,0.815007716,1.086676955,0.601851852,0,0,1.625,1.222511574,1.28968254,0.815007716,1.086676955,0.601851852,0,0,1.625,1.222511574,1.28968254,0.815007716,1.086676955,0.601851852,0,0,1.625,1.222511574,1.28968254,0.815007716,1.086676955,0.601851852,0,0,2.134803922,0.717741524,1.204335901,0.705295139,1.250170207,0.955882353,0,0,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,47.89266769,23.81786162,36.90702939,47.69995936,5.96249492,23.81786163,-0.256944444,0.002779983,3.47E-04,-4.708248382,27.87218818,3.484023522,2.662103482,0,11.89,12.11011416,-0.164612092,0.056117657,5.441366761,8.27075799,7,25,25,25,7,0,0,0,0,0,19.677726,3.553387335,3.186361378,2.70465292,2.333552793,2.211476357,1.741961771,1.115201586,0.882379902,1.941354195,1.711809299,1.439357507,1.249629723,1.113400739,0.837005275,0.424899233,0.340133507,3.579223546,3.222241282,2.758533368,2.405454588,2.280960637,1.830507057,1.226270859,1.013471333,1.883956111,1.636692126,1.341388541,1.134540686,0.998783506,0.703877645,0.272406879,0.17770596,3.693390468,3.379997685,2.989220212,2.704236987,2.572763368,2.194586449,1.673112861,1.523992969,1.716289813,1.411364586,1.033791891,0.76031856,0.627978952,0.262023828,0.24590054,0.385913507,3.598287441,3.248695134,2.797945256,2.457539916,2.331494498,1.894476573,1.305958274,1.106400464,1.847506818,1.588430577,1.27729714,1.058262671,0.922937886,0.614951603,0.169673593,0.067519302,3.749315809,3.456381668,3.096993741,2.838982085,2.705612122,2.356081623,1.866169565,1.737742468,1.66437737,1.340097469,0.931889276,0.631337262,0.501173825,0.106465709,0.433539355,0.595681058,3.568361912,3.296195697,2.922472865,2.634654398,2.421479144,1.98003123,1.372769736,1.203799381,1.864903225,1.526265241,1.141956104,0.878556837,0.805262811,0.496493089,0.063443241,0.060043016,0,0,0,0,0,4,2,2,0,0,0,0,0,0,0,0,0,0,0,0.696923425,0,0,0,0.696923425,0,0,0,0.691044062,0.902368927,0.666666667,0.691044062,0.902368927,0.666666667,6.568914101,3.66390246,3.142969116,1.570696873,0.971404521,0.333333333,0,0,0.821114263,0.523414637,0.39287114,0.261782812,0.194280904,0.166666667,0,0,6.568914101,3.66390246,3.142969116,1.570696873,0.971404521,0.333333333,0,0,0.821114263,0.523414637,0.39287114,0.261782812,0.194280904,0.166666667,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.144212963,0,2.716944444,0,0,0,1.805509259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.256990741,0,1.331527778,0,0,0,0.879583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.319444444,0,1.385416667,0,0,0,0.925925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.708333333,0.2,2.319444444,0.2,0.879583333,6.027208657,0.45375,0.319444444,2.288425926,0.45375,0.319444444,2.288425926,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0.25,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.9638,1.12047,8.9638,0,0,3.66389,0.45799,3.66389,0,0,0.25011,0.03126,0.25011,0.03126,0,7,0,0,0,0,0,0,1,0.89049164,1.352030102,2.478345968,2.929705102,2.825251737,2.694448682,23.15278265,35.15278265,64.43699516,76.17233265,73.45654517,70.05566573,0.189448582,0.287639068,0.527258324,0.623283199,0.601061157,0.573233324,3.809948078,3.348409616,2.22209375,1.770734616,1.875187981,2.005991036,0.191756937,0.291143835,0.533682756,0.630877655,0.608384847,0.580217942,6.648700044,12.18716158,16.3853503,15.14913749,15.8894187,12.94782648,31.72521615,23.41346491,20.30332596,21.73364995,21.21916191,16.67704054,8,3.9375,5,8,0,6,2.34,1.2358,1.639769145,3.486742171,4.085857991,0,0.5,3.039342743,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,3.31,8,6,5,2,0,0,0,0,0,36,2.079441542,2.197224577,1.945910149,1.791759469,1.098612289,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,2.5,0.666666667,0.5,0.16,0,0,0,0,0,0,0.357142857,0.083333333,0.083333333,0.032,0,0,0,0,0,0,0.555809524,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,0,146.9243357,4,3.433987204,4.077537444,4.828313737,5.493061443,6.248042875,6.918695219,7.673688129,8.34640487,9.100860271,71.12059119,2.708050201,0,3.850147602,0,5.141663557,0,6.49677499,0,7.884199934,8.176110342,114.1408506,4.390032714,14.49663423,1.812079278,0,0,0,71,6,4.77,30,1.2278,2.116942009,2.891979167,3.494712307,4.279870039,5.192078801,6.36847156,0,0,0,71.2221278,74.49919381,67.46777057,62.0205237,59.75691026,23.19912597,6.470774688,0,0,0,272.5498825,326.3003669,355.4863844,338.636966,404.6633866,296.576416,197.9559424,0,0,0,8.919363223,15.03016952,20.35936831,24.25446154,29.82692731,35.52786968,42.78634691,0,0,0,2.081648384,2.695254639,3.154509661,3.149615746,3.906191255,3.38949137,2.83150464,0,0,0,176.77647,330.1832551,463.0874653,586.7295869,707.5373598,908.7245649,1177.642808,0,0,0,2.48996,3.463478713,4.617416705,5.011250482,6.693614991,6.808128105,6.36847156,0,0,0,0.4321989,0.568411947,0.673422292,0.679336469,0.845637409,0.754037253,0.652131488,0,0,0,388.7507542,172.1208008,9.346623055,138.6256556,-61.37700981,-8.276979589,250.1250986,233.4978106,17.62360264,0.737140962,0.326371824,0.017722869,0.262859038,-0.116381789,-0.015694634,205.0179771,90.77244997,4.929188511,73.10790058,-32.36878708,-4.36508378,0.066929334,0.146665375,0.67367935,8.357720016,527.3764099,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,748.7931004,27.36408413,9.080726832,1.797339331,1.797339331,542.0062692,526.9427783,126.043483,1.028586578,4.300153061,4.180642789,4.263641753,4.466158665,7.63628977,0.709811572,5.020209962,6.63971282,3.013538183,25.69200968,8.457113311,14.04206848,7.849651337,14.86089924,6.849924351,4.272270483,4.174760574,0.410757475,1.952300582,1.267677768,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327158,0.183344552,8.704174269,1.547136754,1.532895559,0.569539559,0.6875567,2.11321181,0.110147845,0.079120347,0.010595825,0.130750194,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639353638,0.637694172,11.00384553,2.023561827,3.137561585,1.599667013,2.507837792,2.743035391,0.519018754,0.433477155,0.037402441,0.443883397,0.093040376,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639670728,2.796637467,24.23885937,7.703654094,12.94063916,7.2426863,13.61369616,6.440712464,3.86156076,3.753636359,0.366846941,1.820026094,1.129478069,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.639387327,0.986217072,12.92927386,2.627951026,4.52080996,2.442182938,4.075940309,3.275463816,0.930550863,0.819744052,0.072097839,0.676264037,0.202096129,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.63988965,3.866171904,31.54149155,11.62201824,18.50124443,10.28009305,19.90964868,8.50043274,5.969965045,5.927461372,0.595380337,2.465625438,1.848788887,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.121827968,5.525099581,1.376101611,16.0368581,4.000028482,7.893983157,3.689071735,6.799999798,4.388511245,1.723789654,1.650701333,0.148861965,1.190429513,0.434373822,1.23E-06,2.74E-33,1.17E-81,9.71E-152,1.55E-243,0,0,0,0,0,0,0,0,0,0,0,4.954600449,1.111401696,0.963886788,0.704790715,0.158096622,0.525495677,0.460110478,0.483944379,7.029888933,11.35349067,23.69107169,0.557186073,1.469550534,4.130389097,0.618961639,0.486065225,0.788932365,0.118225876,0.365247722,0.143333672,0.124326241,5.235415961,4.865046639,11.34311382,0.683398548,0.632907635,4.469912605,0.821990887,0.683121971,0.74809934,0.13757111,0.427706881,0.252405025,0.244644254,5.975025464,7.289242974,15.77421392,0.62214901,0.924756161,4.9353815,1.099934271,0.95276527,0.70625705,0.157401476,0.521424681,0.450721232,0.472971255,6.98808104,11.17883451,23.33909257,0.559385575,1.445117169,4.615952375,0.909240888,0.76778312,0.733508612,0.144485031,0.45610249,0.308588145,0.308478525,6.292976383,8.439162759,17.9545346,0.600262919,1.073169161,5.014404814,1.147081284,0.998488274,0.700338375,0.160207457,0.538265858,0.489932733,0.518863821,7.159974371,11.90410153,24.80731047,0.550507562,1.547062411,4.950534442,1.102066604,0.955725475,0.706378966,0.157251036,0.524641684,0.452333393,0.475496612,7.008326521,11.24044369,23.46303511,0.559568449,1.452471688 +UMLKV0040,L,"2,5-DIMETHYLHEXANE",CC(C)CCC(C)C,C8H18,Paraffin (non-normal),octanes,592-13-2,2.740963933,PubChem,,0.5828,0,1.657,2.745649,37.4392,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1483.122152,1201.711229,890.151364,796.171492,302.76288,36.578304,0,3947.642614,5029.877407,6806.459662,7099.250819,5648.125411,4306.94708,3126.683726,1119.0148,0,181.25648,180.900988,339.441056,442.541876,495.799312,312.005776,251.444736,241.864704,0,30.31423229,39.56609758,57.48793273,65.15144188,56.10576844,40.08763158,32.0604183,16.00606457,0,4342.872585,3643.766351,7584.388218,10150.98163,12382.08547,7580.079488,5893.952969,6657.035473,0,42.05555556,49.58333333,76.33333333,100.1111111,93.33333333,65,60,36,0,45.09238923,49.11105724,30.89837817,19.07478141,12.36321339,17.69269982,8.41008,1.016064,0,151.8324082,201.1950963,141.801243,112.6865209,78.44618626,95.7099351,86.85232572,31.08374443,0,6.971403077,7.23603952,7.071688667,7.024474222,6.886101556,6.933461689,6.984576,6.718464,0,1.165932011,1.582643903,1.197665265,1.034149871,0.779246784,0.890836257,0.890567175,0.444612905,0,167.033561,145.7506541,158.0080879,161.1266926,171.9734093,168.4462109,163.7209158,184.917652,0,1.617521368,1.983333333,1.590277778,1.589065256,1.296296296,1.444444444,1.666666667,1,0,0.035978133,-0.006702682,-5.56E-04,-0.023706017,0.009164506,0.011105438,-0.026597569,0.01930326,0,670.5194345,-58.02572029,-45.8474827,-460.6239277,191.9863338,106.0223037,-481.3985683,412.6273443,0,1246.859521,-107.9013047,-85.25535183,-856.549863,357.0067858,197.1530011,-895.1811943,767.2981665,0,0.131350154,-0.01136684,-0.008981207,-0.090233065,0.037608805,0.020769041,-0.094302675,0.080830864,0,5.574042193,-0.482369036,-0.38113109,-3.829176421,1.59598644,0.881365646,-4.001876446,3.430179811,0,30.27828566,-2.620236259,-2.070310131,-20.80014709,8.669423672,4.787592177,-21.73825637,18.63279117,0,3.487179487,-1.835963182,1.382642998,-2.524490467,0.394477318,2.650394477,-3.520710059,1.710059172,0,0.001383774,-2.68E-04,-1.16E-05,-3.76E-04,1.27E-04,2.47E-04,-7.39E-04,5.36E-04,0,25.78920902,-2.321028812,-0.95515589,-7.311490916,2.666476858,2.356051194,-13.37218245,11.46187067,0,47.95613541,-4.316052187,-1.776153163,-13.59602957,4.958427581,4.381177803,-24.86614429,21.31383796,0,0.005051929,-4.55E-04,-1.87E-04,-0.001432271,5.22E-04,4.62E-04,-0.002619519,0.002245302,0,0.214386238,-0.019294761,-0.007940231,-0.060780578,0.022166478,0.019585903,-0.111163235,0.095282773,0,1.164549448,-0.10480945,-0.043131461,-0.330161065,0.120408662,0.106390937,-0.603840455,0.517577533,0,0.134122288,-0.073438527,0.028805062,-0.040071277,0.005478852,0.058897655,-0.097797502,0.047501644,0,-0.19375071,-0.008370881,-0.271927269,0.09198379,0.178343752,-0.533917517,0.387492134,0,-0.09,-0.037037037,-0.2835097,0.103395062,0.091358025,-0.518518519,0.444444444,0,-0.09,-0.037037037,-0.2835097,0.103395062,0.091358025,-0.518518519,0.444444444,0,-0.09,-0.037037037,-0.2835097,0.103395062,0.091358025,-0.518518519,0.444444444,0,-0.09,-0.037037037,-0.2835097,0.103395062,0.091358025,-0.518518519,0.444444444,0,-0.09,-0.037037037,-0.2835097,0.103395062,0.091358025,-0.518518519,0.444444444,0,-0.54754902,0.214767157,-0.298766729,0.040849673,0.439133987,-0.729166667,0.354166667,0,1.727684548,1.084849934,1.386610512,0.680708671,0.710031646,1.706004968,0,0,1.625,1.222511574,1.36133157,0.689621914,0.802469136,1.50462963,0,0,1.625,1.222511574,1.36133157,0.689621914,0.802469136,1.50462963,0,0,1.625,1.222511574,1.36133157,0.689621914,0.802469136,1.50462963,0,0,1.625,1.222511574,1.36133157,0.689621914,0.802469136,1.50462963,0,0,1.625,1.222511574,1.36133157,0.689621914,0.802469136,1.50462963,0,0,2.15870098,0.62231924,1.419282991,0.64721201,0.424836601,2.389705882,0,0,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,49.16608976,24.45457266,38.99239413,48.97338142,6.121672678,24.45457266,-0.256944444,6.66E-16,8.33E-17,-27.95603288,28.13912446,3.517390557,2.66972875,0,11.89,12.11011416,-0.164718465,0.055995246,5.749051238,7.649059493,7,25,25,25,7,0,0,0,0,0,19.677726,3.53563143,3.244084744,2.571524722,2.333552793,2.333552793,1.729010799,1.049825983,0.930272334,1.934873803,1.742716603,1.319258135,1.249629723,1.249629723,0.796661299,0.397466728,0.365835021,3.562461002,3.277769689,2.625963664,2.405454588,2.405454588,1.813600416,1.165294468,1.05900151,1.876280062,1.670670664,1.21933619,1.134540686,1.134540686,0.664936838,0.242013658,0.205369926,3.680598535,3.426435801,2.860188687,2.704236987,2.704236987,2.165212408,1.627594413,1.560891682,1.704211162,1.456118324,0.905588564,0.76031856,0.76031856,0.230923741,0.289015115,0.350415709,3.58223573,3.302632688,2.665861445,2.457539916,2.457539916,1.87495387,1.248008524,1.150283289,1.838992329,1.624518621,1.153946055,1.058262671,1.058262671,0.577166797,0.137099727,0.096588544,3.738217315,3.498795116,2.970010819,2.838982085,2.838982085,2.322834187,1.826186331,1.771383615,1.650641827,1.38874006,0.801845208,0.631337262,0.631337262,0.079600261,0.482408586,0.556860324,3.558832738,3.345592379,2.725831247,2.634654398,2.634654398,1.930624674,1.322066015,1.245627897,1.850241512,1.567853699,1.061465701,0.878556837,0.878556837,0.482190769,0.024771883,0.028680321,0,0,0,0,0,4,2,2,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.816496581,0,0,0,0.577350269,0.333333333,0.666666667,0.577350269,0.333333333,0.666666667,6.568914101,3.625897658,3.365043969,1.321367205,0.666666667,0.666666667,0,0,0.821114263,0.51798538,0.420630496,0.264273441,0.166666667,0.166666667,0,0,6.568914101,3.625897658,3.365043969,1.321367205,0.666666667,0.666666667,0,0,0.821114263,0.51798538,0.420630496,0.264273441,0.166666667,0.166666667,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,56,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.120555556,0,2.773148148,0,0,0,1.772962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.280138889,0,1.386574074,0,0,0,0.886481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.280138889,0,1.386574074,0,0,0,0.886481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.708333333,0.2,2.280138889,0.2,0.886481481,6.030246667,0.446851852,0.280138889,2.241111111,0.446851852,0.280138889,2.241111111,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0.25,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.87961,1.10995,8.87961,0,0,3.62588,0.45324,3.62588,0,0,0.28812,0.03601,0.28812,0.03601,0,7,0,0,0,0,0,0,1,0.89049164,1.352030102,2.199687795,2.199687795,2.199687795,1.915038586,23.15278265,35.15278265,57.19188266,57.19188266,57.19188266,49.79100323,0.189448582,0.287639068,0.467974897,0.467974897,0.467974897,0.407416901,3.809948078,3.348409616,2.500751923,2.500751923,2.500751923,2.785401132,0.191756937,0.291143835,0.473676984,0.473676984,0.473676984,0.412381113,6.648700044,12.18716158,13.04145222,13.04145222,13.04145222,9.625661715,31.72521615,23.41346491,25.2115705,25.2115705,25.2115705,21.79577999,8,3.9375,7.2,8,0,6,2.34,1.2358,1.62865057,3.265986324,4,0,1,2.828427125,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,3.31,8,5,4,4,0,0,0,0,0,36,2.079441542,2.197224577,1.791759469,1.609437912,1.609437912,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,2.5,0.666666667,0.25,0.32,0,0,0,0,0,0,0.357142857,0.083333333,0.05,0.08,0,0,0,0,0,0,0.57047619,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,0,146.9243357,4,3.433987204,4.043051268,4.779123493,5.424950017,6.150602768,6.814542897,7.529943371,8.204398418,8.912338567,70.292938,2.708050201,0,3.850147602,0,5.105945474,0,6.408528791,0,7.738488122,8.049746291,114.1408506,4.390032714,14.50192071,1.812740089,0,0,0,74,5,4.77,30,1.2278,2.116942009,2.892507444,3.479983731,4.405708497,5.53224352,6.068060179,0,0,0,71.2221278,74.49919381,61.78741513,53.03174888,93.51446163,48.31318469,6.165537498,0,0,0,272.5498825,326.3003669,344.5032079,304.1038625,473.900847,493.9632619,188.6180318,0,0,0,8.919363223,15.03016952,20.35906012,24.04422866,30.69653004,38.70467445,40.76804386,0,0,0,2.081648384,2.695254639,3.103532047,2.909361266,4.267235108,5.034587882,2.697937863,0,0,0,176.77647,330.1832551,463.1518955,592.510468,730.8960688,900.6223286,1122.091441,0,0,0,2.484883333,3.501190982,4.681629088,4.65245786,6.729748087,9.381488749,6.068060179,0,0,0,0.4321989,0.568411947,0.663965988,0.630835353,0.915226043,1.09615788,0.621369362,0,0,0,405.165314,179.5694069,9.791475302,130.1345197,-57.67566401,-7.449843748,275.0307943,237.2450709,17.24131905,0.756894153,0.335455749,0.018291572,0.243105847,-0.107744595,-0.013917142,216.8849253,96.12347365,5.241375102,69.66098679,-30.87377336,-3.98790012,0.06630743,0.141139486,1.271764293,8.073897967,535.2998338,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,730.8637546,27.03449194,9.007663245,1.558857073,1.537100381,637.051562,548.5130061,127.6554937,1.1614156,4.990396759,4.296822567,4.418750872,4.466158665,7.636292013,0.709812074,5.020209962,6.639720803,3.093919498,23.182,7.17526138,6.313287287,6.074120505,12.39252649,4.615831286,3.987412726,5.844183274,1.906468719,3.348678494,1.267677843,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327215,0.183910687,8.568833001,1.046432751,0.179714311,0.476339346,0.683261464,2.013583349,0.156246655,0.230064712,0.021141123,0.140584998,0.008928359,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639354224,0.643593713,10.5173259,1.472605616,0.810765614,1.262032024,2.360303206,2.308645388,0.621250831,0.913600333,0.147207141,0.546369635,0.093040381,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639677841,2.868255774,21.92146795,6.508253668,5.718125738,5.605157,11.42343353,4.372994842,3.640720842,5.336900076,1.699506224,3.064173674,1.129478136,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.6393886,0.999031657,12.16202988,2.010075477,1.428332995,1.907366449,3.7232647,2.58130284,1.034590975,1.520129861,0.310581542,0.898877842,0.202096141,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.639901293,3.983400489,28.26466251,9.97621362,8.766319821,7.953852919,16.267064,5.609785892,5.398395357,7.908169787,2.776699124,4.502111389,1.848788996,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.121827968,5.498019155,1.382839025,15.31232514,3.172793453,2.750688293,2.846693618,6.100022966,3.023933388,1.825732438,2.843086419,0.661420682,1.668902849,0.434373847,1.23E-06,2.74E-33,1.17E-81,9.71E-152,1.55E-243,0,0,0,0,0,0,0,0,0,0,0,5.439334794,1.530513536,0.573990314,0.721030108,0.202882592,0.603920118,0.562536993,0.425972441,7.543838645,12.32560096,24.64789493,0.581545162,1.592429552,4.634076711,0.946940837,0.171278711,0.805604667,0.164619622,0.438733931,0.215031253,0.038893029,5.752296258,5.344105968,11.84800686,0.708407,0.692658213,4.965754364,1.187467515,0.337476012,0.765057078,0.182949127,0.503550105,0.338350765,0.149478172,6.490697891,7.973236775,16.45392001,0.647585617,0.991379042,5.420554319,1.516917512,0.564627199,0.722538359,0.202199079,0.599764305,0.552569964,0.412437518,7.502099029,12.13961905,24.28438429,0.583807538,1.564771787,5.108436299,1.290866924,0.408826337,0.750343579,0.189606692,0.532820412,0.399941494,0.218388932,6.80812956,9.210515145,18.7145729,0.625515368,1.151150839,5.497775737,1.572817586,0.603118314,0.716442837,0.204961779,0.616944969,0.594120884,0.469418614,7.673711638,12.91140269,25.8002774,0.574664256,1.680484467,5.437349847,1.522605483,0.564985957,0.722577046,0.202341178,0.60350173,0.556867583,0.412565596,7.524941287,12.21121571,24.4136411,0.583865569,1.572934909 +UMLKV0041,L,"3,3-DIMETHYLHEXANE",CCCC(C)(C)CC,C8H18,Paraffin (non-normal),octanes,563-16-6,2.7363824,PubChem,,0.5856,0,1.0468,1.09579024,37.6509,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1604.188161,1510.389391,1032.388228,451.262617,103.124448,9.144576,0,3947.642614,5029.877407,7031.587075,8051.422878,6931.713574,4191.072239,1620.932031,279.7536999,0,181.25648,180.900988,339.464772,444.984316,561.055504,432.86698,244.259712,60.466176,0,30.31423229,39.56609758,58.49435701,71.17787888,68.13446145,45.07139101,20.01965301,4.001516144,0,4342.872585,3643.766351,7589.85513,9971.144834,13664.80308,10892.19649,6466.264847,1664.258868,0,42.3125,50,76.125,104.5,116.25,85,42,9,0,45.09238923,49.11105724,33.42058669,23.97443478,12.74553368,7.162898683,2.864568,1.016064,0,151.8324082,201.1950963,146.4913974,127.8003631,85.57671079,66.52495618,45.02588975,31.08374443,0,6.971403077,7.23603952,7.07218275,7.063243111,6.92661116,6.870904444,6.784992,6.718464,0,1.165932011,1.582643903,1.218632438,1.129807601,0.841166191,0.715418905,0.556101472,0.444612905,0,167.033561,145.7506541,158.1219819,158.2721402,168.7012726,172.8920077,179.618468,184.917652,0,1.627403846,2,1.5859375,1.658730159,1.435185185,1.349206349,1.166666667,1,0,0.035569321,-0.008387702,0.005351302,-0.018918608,-0.004894836,-0.003758765,0.008068758,0.004755191,0,670.5194345,-58.02572029,75.2185263,-441.9983879,-151.8697864,-50.86205112,189.1208661,103.1568361,0,1246.859521,-107.9013047,139.8720616,-821.9148763,-282.408353,-94.58015594,351.6783263,191.8245416,0,0.131350154,-0.01136684,0.014734793,-0.08658445,-0.029750249,-0.009963527,0.037047479,0.020207716,0,5.574042193,-0.482369036,0.625293195,-3.674341916,-1.262496736,-0.422817303,1.572165747,0.857544953,0,30.27828566,-2.620236259,3.396602558,-19.9590836,-6.857902307,-2.296750301,8.540029288,4.658197794,0,3.540865385,-1.86381287,1.164940828,-1.21200074,-0.170580621,-0.562962278,0.433801775,0.440181213,0,0.001368051,-3.36E-04,1.11E-04,-3.00E-04,-6.04E-05,-5.97E-05,2.24E-04,5.28E-04,0,25.78920902,-2.321028812,1.567052631,-7.015847427,-1.874935635,-0.807334145,5.253357393,11.46187067,0,47.95613541,-4.316052187,2.914001283,-13.04626788,-3.486522876,-1.501272317,9.768842398,21.31383796,0,0.005051929,-4.55E-04,3.07E-04,-0.001374356,-3.67E-04,-1.58E-04,0.001029097,0.002245302,0,0.214386238,-0.019294761,0.013026942,-0.058322888,-0.015586379,-0.006711386,0.043671271,0.095282773,0,1.164549448,-0.10480945,0.070762553,-0.316810851,-0.084665461,-0.036456354,0.237223036,0.517577533,0,0.13618713,-0.074552515,0.024269601,-0.019238107,-0.002105934,-0.008935909,0.012050049,0.048909024,0,-0.24524533,0.081492186,-0.219506007,-0.044172391,-0.043611641,0.163833228,0.386209736,0,-0.09,0.060763889,-0.272045855,-0.072702332,-0.031305115,0.203703704,0.444444444,0,-0.09,0.060763889,-0.272045855,-0.072702332,-0.031305115,0.203703704,0.444444444,0,-0.09,0.060763889,-0.272045855,-0.072702332,-0.031305115,0.203703704,0.444444444,0,-0.09,0.060763889,-0.272045855,-0.072702332,-0.031305115,0.203703704,0.444444444,0,-0.09,0.060763889,-0.272045855,-0.072702332,-0.031305115,0.203703704,0.444444444,0,-0.54742702,0.178207739,-0.141262298,-0.015463529,-0.065614931,0.088481557,0.359131025,0,1.782026413,0.959069723,1.340458992,0.968495063,0.875063827,0.455220955,9.54E-08,0,1.625,1.128472222,1.4329806,0.947359396,0.78813933,0.376157407,0,0,1.625,1.128472222,1.4329806,0.947359396,0.78813933,0.376157407,0,0,1.625,1.128472222,1.4329806,0.947359396,0.78813933,0.376157407,0,0,1.625,1.128472222,1.4329806,0.947359396,0.78813933,0.376157407,0,0,1.625,1.128472222,1.4329806,0.947359396,0.78813933,0.376157407,0,0,2.153428377,0.66191446,1.253785062,0.956098665,0.980614015,0.588368409,0,0,34.88529179,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,3.55E-15,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,34.88529179,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,3.55E-15,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,34.88529179,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,3.55E-15,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,34.88529179,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,3.55E-15,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,34.88529179,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,3.55E-15,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,34.88529179,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,3.55E-15,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,46.03281978,22.89140989,34.0458998,45.84531978,5.730664972,22.89140989,-0.25,0.091751915,0.011468989,-1.910933534,28.83623546,3.604529433,2.689306218,0,11.89,12.11011416,-0.167981532,0.052587228,5.362774882,9.213878134,7,25,25,25,7,0,0,0,0,0,19.677726,3.592735029,3.086849513,2.756611834,2.333552793,2.213410816,1.709776605,1.375415873,0.442430979,1.953664966,1.664255355,1.472941768,1.249629723,1.119681942,0.823029543,0.640118652,0.083923071,3.615998295,3.127435347,2.809002604,2.405454588,2.283163201,1.800433516,1.482790418,0.551903442,1.898878759,1.583752372,1.37707963,1.134540686,1.004432886,0.688455069,0.492644697,0.270913902,3.720224799,3.303771657,3.033454115,2.704236987,2.576236407,2.171881072,1.91400556,0.964952489,1.74139921,1.338428158,1.076868084,0.76031856,0.63171527,0.240466992,0.007862175,0.943918427,3.633241807,3.157244993,2.847328656,2.457539916,2.333901006,1.865848576,1.55975151,0.628798321,1.864303608,1.531713381,1.314432572,1.058262671,0.928178217,0.598468841,0.393354778,0.399277246,3.772086944,3.387940121,3.138462928,2.838982085,2.709729176,2.336024862,2.100280206,1.207644823,1.693522867,1.259495599,0.97763897,0.631337262,0.504315529,0.082162571,0.188878372,1.129601866,3.598210766,3.21026742,2.967836281,2.629038207,2.422780943,1.95342479,1.640467926,0.636613716,1.885844955,1.463965394,1.182144151,0.883583662,0.811679728,0.480010394,0.278684493,0.581818182,0,0,0,0,0,4,3,0,1,0,0,0,0,0,0,0,0,0,0,1.207106781,0.25,0,0,1.207106781,0.25,0,0,1.457106781,1.383883476,0.530330086,1.457106781,1.383883476,0.530330086,6.621320344,3.621320344,3.267766953,1.883883476,0.853553391,0.176776695,0,0,0.827665043,0.517331478,0.363085217,0.269126211,0.213388348,0.176776695,0,0,6.621320344,3.621320344,3.267766953,1.883883476,0.853553391,0.176776695,0,0,0.827665043,0.517331478,0.363085217,0.269126211,0.213388348,0.176776695,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,52,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,9.166736111,0,3.99125,0,0,0,0,0,0,0,0,0,0.592013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.247430556,0,1.306388889,0,0,0,0,0,0,0,0,0,0.592013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.329861111,0,1.364583333,0,0,0,0,0,0,0,0,0,0.592013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.75,1.71875,0.2,2.329861111,0,0.592013889,6.028855903,0.657986111,0.329861111,2.333472222,0.657986111,0.329861111,2.333472222,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0,0.125,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.32652,1.16582,9.32652,0,0,3.62132,0.45267,3.62132,0,0,0.29268,0.03658,0.29268,0.03658,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.295465679,3.122764718,3.089889603,2.651394241,23.15278265,34.39789514,59.68210766,81.19188266,80.33712969,68.93625025,0.189448582,0.281462171,0.488351264,0.66435587,0.657361819,0.564073661,3.809948078,3.377443751,2.404974039,1.577675,1.610550115,2.049045478,0.191756937,0.284891675,0.494301629,0.67245078,0.66537151,0.570946673,6.648700044,11.83875197,16.52018726,17.35395994,16.47527565,11.2133313,31.72521615,24.13720728,20.27759842,18.73658831,19.84998921,19.57347203,8,3.111111111,3.673469388,8,0,6,2.34,1.2358,1.785490327,5.421612022,0,2.555772417,1.650963624,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,3.354,9,7,4,1,0,0,0,0,0,36,2.079441542,2.302585093,2.079441542,1.609437912,0.693147181,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,3,1.111111111,0.375,0.08,0,0,0,0,0,0,0.428571429,0.12345679,0.053571429,0.02,0,0,0,0,0,0,0.625599647,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,0,146.9243357,4,3.496507561,4.17438727,4.990432587,5.693732139,6.517671273,7.22620901,8.0522965,8.762019954,9.588708312,73.50196461,2.708050201,0,3.931825633,0,5.361292166,0,6.86171134,0,8.385944905,8.634620608,114.1408506,4.390032714,14.4310606,1.803882575,0,0,0,67,7,4.868,32,1.2278,2.116401194,2.917531399,3.491129613,4.149725442,5.420669812,7.058444873,0,0,0,71.2221278,80.92015264,76.29176851,52.86276742,37.58045585,17.83798898,7.171831732,0,0,0,272.5498825,339.0696678,390.7909616,322.7997952,312.058416,261.4942538,219.4028965,0,0,0,8.919363223,15.03311663,20.64708401,24.23676534,28.64862666,36.86234266,47.42190778,0,0,0,2.081648384,2.75612872,3.405086826,3.083789335,3.229816643,3.153771913,3.138275679,0,0,0,176.77647,329.9402209,458.9097368,584.989305,706.8494808,967.0299128,1305.231053,0,0,0,2.5048,3.49530159,4.923972327,5.122008879,5.914627085,6.532401382,7.058444873,0,0,0,0.4321989,0.579781655,0.724221853,0.667471141,0.707580875,0.708050853,0.722784755,0,0,0,385.5651793,169.3003361,9.283955754,140.6069207,-61.74001235,-8.543909181,244.9582586,231.0403485,17.82786493,0.732773895,0.321758482,0.017644333,0.267226105,-0.117338058,-0.016237861,202.8736401,89.08111338,4.884958495,73.98343872,-32.48587195,-4.495566635,0.061568605,0.148621911,1.133203682,9.675094495,526.1721,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,772.0437614,27.78567547,9.173758561,1.89259598,1.526290971,493.3778267,488.9192699,126.0040284,1.009119209,3.91557185,3.88018761,4.145079663,4.466158665,7.63628977,0.709811572,5.020209962,6.639754612,2.91785385,30.11556552,7.085473679,10.99112304,10.33499562,9.304931721,7.936189053,3.69774677,3.632068833,0.073937924,1.544812114,1.267677695,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327453,0.172651819,9.901175202,2.031605912,0.342983905,0.667736559,0.507862007,2.131716203,0.063188491,0.028036188,0.008212694,0.127880219,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639356705,0.604931197,12.72639856,2.386071348,1.488917832,1.989391864,1.738934606,2.878102044,0.366826274,0.272221597,0.01265383,0.413976048,0.093040371,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639707964,2.704485898,28.41781683,6.536530975,9.975728433,9.512644878,8.566645745,7.425741086,3.320202306,3.237565143,0.066739291,1.456961205,1.129478003,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.639393989,0.939705521,15.05210916,2.830456667,2.580674811,3.090151718,2.751667851,3.52065171,0.705390494,0.585776175,0.018367329,0.611301281,0.202096118,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.6399506,3.759303908,36.92413069,9.389950807,15.16342546,13.64153758,12.26525724,10.00225513,5.271659595,5.290151795,0.104196175,1.871341804,1.848788779,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.115572728,5.458345801,1.293996193,18.83743165,4.105933993,4.885028632,4.875898242,4.176383271,4.915452326,1.333675458,1.23894564,0.03299753,1.038103892,0.429124615,1.22E-06,2.71E-33,1.16E-81,9.60E-152,1.53E-243,0,0,0,0,0,0,0,0,0,0,0,4.602292001,1.048856038,1.021895088,0.689684139,0.15717807,0.464329752,0.474055523,0.463843561,6.673043127,10.60202218,22.20789775,0.534526208,1.402228837,3.750907741,0.572402406,0.532345256,0.772482277,0.117883655,0.308451949,0.140285316,0.125876798,4.855655402,4.448522259,10.44713816,0.658723415,0.574614063,4.101671983,0.768919476,0.734117984,0.73182598,0.137191675,0.368799328,0.253913911,0.23938153,5.604709443,6.729444253,14.64945572,0.597738971,0.862094769,4.582443781,1.037768098,1.010489484,0.691094883,0.156509552,0.46033151,0.4640314,0.453547217,6.630701363,10.43467897,21.87077719,0.536642324,1.377910127,4.252526117,0.853336246,0.820858114,0.717517577,0.143981186,0.396421314,0.313079165,0.299291996,5.926720478,7.820023226,16.72550209,0.576276366,1.008792474,4.664053222,1.083352814,1.057383671,0.6854074,0.159204452,0.476882371,0.505931162,0.496619889,6.804789707,11.13002848,23.27758246,0.5281111,1.479433422,4.595682444,1.038936125,1.013817623,0.691242619,0.156267744,0.462999553,0.46519888,0.456539734,6.648436191,10.48709611,21.97612672,0.536863928,1.384738167 +UMLKV0042,L,"3,4-DIMETHYLHEXANE",CCC(C)C(C)CC,C8H18,Paraffin (non-normal),Alkanes,583-48-2,2.740298313,PubChem,,0.5736,0,-0.2066,0.04268356,34.6912,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1483.122152,1564.909256,1089.789796,460.407193,103.124448,9.144576,0,3947.642614,5029.877407,6806.459662,7774.63306,7153.877106,4470.825939,1620.932031,279.7536999,0,181.25648,180.900988,339.441056,442.613024,502.984336,493.333156,244.259712,60.466176,0,30.31423229,39.56609758,57.48793273,68.17071473,68.14653374,49.07290716,20.01965301,4.001516144,0,4342.872585,3643.766351,7584.388218,10167.38237,11809.77359,12556.45535,6466.264847,1664.258868,0,42.05555556,49.77777778,74.66666667,97.91666667,113,94,42,9,0,45.09238923,49.11105724,30.89837817,24.83982946,15.13596939,6.394544347,2.864568,1.016064,0,151.8324082,201.1950963,141.801243,123.406874,99.35940425,62.09480471,45.02588975,31.08374443,0,6.971403077,7.23603952,7.071688667,7.025603556,6.985893556,6.851849389,6.784992,6.718464,0,1.165932011,1.582643903,1.197665265,1.082074837,0.946479635,0.681568155,0.556101472,0.444612905,0,167.033561,145.7506541,158.0080879,161.3870218,164.0246332,174.3952133,179.618468,184.917652,0,1.617521368,1.991111111,1.555555556,1.554232804,1.569444444,1.305555556,1.166666667,1,0,0.036047443,-0.007598785,-0.004383136,0.001712488,-0.021532739,0.001156633,0.007892153,0.004729664,0,670.5194345,-58.02572029,-45.8474827,-97.42590073,-478.5331007,52.29478495,189.1208661,103.1568361,0,1246.859521,-107.9013047,-85.25535183,-181.1676226,-889.8527348,97.24438569,351.6783263,191.8245416,0,0.131350154,-0.01136684,-0.008981207,-0.019085065,-0.093741349,0.010244189,0.037047479,0.020207716,0,5.574042193,-0.482369036,-0.38113109,-0.809903567,-3.978055753,0.43472765,1.572165747,0.857544953,0,30.27828566,-2.620236259,-2.070310131,-4.399409027,-21.60886199,2.361447493,8.540029288,4.658197794,0,3.487179487,-1.641518738,-0.284023669,1.370808679,-1.861932939,-0.156804734,0.402366864,0.427514793,0,0.00138644,-3.04E-04,-9.13E-05,2.72E-05,-2.99E-04,1.61E-05,2.19E-04,5.26E-04,0,25.78920902,-2.321028812,-0.95515589,-1.546442869,-6.646293065,0.726316458,5.253357393,11.46187067,0,47.95613541,-4.316052187,-1.776153163,-2.87567655,-12.35906576,1.350616468,9.768842398,21.31383796,0,0.005051929,-4.55E-04,-1.87E-04,-3.03E-04,-0.001301963,1.42E-04,0.001029097,0.002245302,0,0.214386238,-0.019294761,-0.007940231,-0.012855612,-0.055250774,0.006037884,0.043671271,0.095282773,0,1.164549448,-0.10480945,-0.043131461,-0.069831889,-0.300123083,0.032797882,0.237223036,0.517577533,0,0.134122288,-0.06566075,-0.00591716,0.021758868,-0.02586018,-0.002177844,0.011176857,0.047501644,0,-0.219231549,-0.065863163,0.01960586,-0.215707704,0.01158676,0.158121848,0.379041424,0,-0.09,-0.037037037,-0.059964727,-0.257716049,0.02816358,0.203703704,0.444444444,0,-0.09,-0.037037037,-0.059964727,-0.257716049,0.02816358,0.203703704,0.444444444,0,-0.09,-0.037037037,-0.059964727,-0.257716049,0.02816358,0.203703704,0.444444444,0,-0.09,-0.037037037,-0.059964727,-0.257716049,0.02816358,0.203703704,0.444444444,0,-0.09,-0.037037037,-0.059964727,-0.257716049,0.02816358,0.203703704,0.444444444,0,-0.489558824,-0.044117647,0.162231559,-0.192810458,-0.016237745,0.083333333,0.354166667,0,1.755319385,1.112007843,1.012429161,1.291865768,0.761583031,0.447480228,0,0,1.625,1.222511574,1.14638448,1.253858025,0.689621914,0.376157407,0,0,1.625,1.222511574,1.14638448,1.253858025,0.689621914,0.376157407,0,0,1.625,1.222511574,1.14638448,1.253858025,0.689621914,0.376157407,0,0,1.625,1.222511574,1.14638448,1.253858025,0.689621914,0.376157407,0,0,1.625,1.222511574,1.14638448,1.253858025,0.689621914,0.376157407,0,0,2.102941176,0.871246936,0.749153828,1.377399918,0.871246936,0.597426471,0,0,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,46.76293868,23.25299712,34.91578997,46.57023035,5.821278793,23.25299712,-0.256944444,3.89E-16,4.86E-17,-28.38723008,26.40131945,3.300164931,2.61873119,0,11.89,12.11011416,-0.169035856,0.051418417,5.512550154,8.586130947,7,25,25,25,7,0,0,0,0,0,19.677726,3.574523796,3.101489964,2.723753363,2.575306449,1.92423326,1.744095946,1.288136135,0.801764835,1.948704756,1.669661871,1.453341321,1.374341706,0.942319753,0.843000671,0.542599084,0.287950024,3.599119055,3.141133145,2.777312368,2.635344871,2.005548036,1.833272234,1.394339446,0.935634121,1.892730457,1.589990306,1.356067346,1.270102422,0.816906761,0.709742075,0.3960242,0.122828495,3.708371245,3.313949361,3.006450737,2.889784995,2.341449071,2.199235012,1.821569341,1.456885847,1.730395931,1.348016717,1.050703404,0.938446788,0.404011052,0.266914215,0.10092888,0.451211033,3.617297672,3.170283105,2.816477119,2.679119236,2.064367535,1.897651895,1.470513059,1.030547104,1.857286538,1.53855301,1.292438027,1.201566386,0.733390689,0.620692447,0.297377104,0.01073456,3.762224513,3.396740649,3.113447808,3.007175732,2.4914679,2.361262737,2.006377226,1.674868587,1.680519263,1.270473056,0.949523501,0.826955631,0.259873085,0.110752411,0.280447435,0.665242944,3.580148549,3.226731387,2.942340846,2.830174566,2.169152693,1.988854382,1.539160102,1.129587959,1.881570033,1.467991507,1.155748079,1.042203552,0.603807729,0.498450375,0.192759037,0.11930666,0,0,0,0,0,4,2,2,0,0,0,0,0,0,0,0,0,0,0,0.471404521,0,0.166666667,0,0.471404521,0,0.166666667,0,1.276142375,1.138071187,0.666666667,1.276142375,1.138071187,0.666666667,6.568914101,3.718744015,2.771064349,2.259305623,0.804737854,0.166666667,0,0,0.821114263,0.531249145,0.346383044,0.282413203,0.201184464,0.166666667,0,0,6.568914101,3.718744015,2.771064349,2.259305623,0.804737854,0.166666667,0,0,0.821114263,0.531249145,0.346383044,0.282413203,0.201184464,0.166666667,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,52,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.176574074,0,2.656759259,0,0,0,1.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.260740741,0,1.32837963,0,0,0,0.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.327546296,0,1.32837963,0,0,0,0.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.708333333,0.2,2.327546296,0.2,0.916666667,6.02400463,0.416666667,0.327546296,2.353148148,0.416666667,0.327546296,2.353148148,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0.25,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.0653,1.13316,9.0653,0,0,3.71873,0.46484,3.71873,0,0,0.19527,0.02441,0.19527,0.02441,0,7,0,0,0,0,0,0,1,0.89049164,1.352030102,2.353533949,2.81507241,2.81507241,2.376577047,23.15278265,35.15278265,61.19188266,73.19188266,73.19188266,61.79100323,0.189448582,0.287639068,0.500705059,0.598895546,0.598895546,0.505607388,3.809948078,3.348409616,2.34690577,1.885367308,1.885367308,2.323862671,0.191756937,0.291143835,0.50680595,0.606192848,0.606192848,0.511768011,6.648700044,12.18716158,14.88760607,15.35275608,15.35275608,10.09081173,31.72521615,23.41346491,22.07229718,21.75251411,21.75251411,21.47599693,8,3.9375,2.8125,8,0,6,2.34,1.2358,1.668817935,3.614408014,4.298279727,0,0.333333333,2.828427125,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,3.31,8,8,4,1,0,0,0,0,0,36,2.079441542,2.197224577,2.197224577,1.609437912,0.693147181,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,2,1.333333333,0.375,0.08,0,0,0,0,0,0,0.285714286,0.166666667,0.046875,0.02,0,0,0,0,0,0,0.519255952,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,0,146.9243357,4,3.433987204,4.143134726,4.875197323,5.609471795,6.34738921,7.085901464,7.825245291,8.564649133,9.304285985,72.18926213,2.708050201,0,3.850147602,0,5.209486153,0,6.642486801,0,8.103191752,8.371242136,114.1408506,4.390032714,14.49160575,1.811450719,0,0,0,68,8,4.77,30,1.2278,2.116942009,2.891585598,3.540350992,4.221191693,5.420671653,7.058444873,0,0,0,71.2221278,74.49919381,80.64635164,63.03810421,33.48256727,17.83799085,7.171831732,0,0,0,272.5498825,326.3003669,381.1705458,380.9895487,291.396222,261.494311,219.4028965,0,0,0,8.919363223,15.03016952,20.36679815,24.80772697,29.03266459,36.86235503,47.42190778,0,0,0,2.081648384,2.695254639,3.274776271,3.536013851,3.088492415,3.153772732,3.138275679,0,0,0,176.77647,330.1832551,463.000294,575.1636384,727.6283361,967.0302533,1305.231053,0,0,0,2.496728889,3.403382069,4.613872086,5.717334224,5.765481153,6.532403224,7.058444873,0,0,0,0.4321989,0.568411947,0.695786993,0.760399123,0.679567967,0.708051041,0.722784755,0,0,0,386.3836951,170.7411405,9.288901912,130.1659684,-57.5197302,-7.813037154,256.2177267,228.2608707,17.10193907,0.748008802,0.330541577,0.017982592,0.251991198,-0.111353727,-0.015125433,199.5863677,88.19627866,4.798179157,67.23718717,-29.71179728,-4.035821712,0.067587796,0.146934612,0.985323937,8.373062457,516.5496635,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,758.5650936,27.54206045,9.120058373,1.68402738,1.526290971,549.2896212,455.6079474,134.9400024,1.205619051,4.070621102,3.376374236,4.21846949,4.466158665,7.63628977,0.709811572,5.020209962,6.639704814,2.933180332,28.20191537,8.625102626,7.28639905,9.679626432,15.96386685,9.217751689,3.704484017,3.632112305,0.073937924,1.544812114,1.267677695,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327102,0.182778582,8.839515583,2.040039688,0.190002846,0.810203283,0.829060378,2.140742745,0.063235935,0.028036494,0.008212694,0.127880219,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.63935305,0.631796352,11.49035953,2.492879758,0.890986114,2.219914354,2.932381448,2.972162498,0.367320732,0.272224788,0.01265383,0.413976048,0.093040371,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639663595,2.725040067,26.55615867,7.90665325,6.58750699,8.994882664,14.68850519,8.567590592,3.326205067,3.237603876,0.066739291,1.456961205,1.129478003,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.639386051,0.973406227,13.69650368,3.068389154,1.59414999,3.306621036,4.669013865,3.724962619,0.706464541,0.585783105,0.018367329,0.611301281,0.202096118,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.639877975,3.748977542,34.81816638,11.64321554,10.17435144,12.37588682,21.08201557,11.87129252,5.281485259,5.290215196,0.104196175,1.871341804,1.848788779,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.121827968,5.561207718,1.376810661,16.69134363,4.67071267,3.109639664,5.139406057,7.680775806,5.414712886,1.352297888,1.254115694,0.033401165,1.050802293,0.434373797,1.23E-06,2.74E-33,1.17E-81,9.71E-152,1.55E-243,0,0,0,0,0,0,0,0,0,0,0,4.668059509,1.571847047,0.590241609,0.683449231,0.230133668,0.48986518,0.456156105,0.447267179,6.830148166,11.02052804,22.18155958,0.525173846,1.393288464,3.810735526,1.001383039,0.180658046,0.763249755,0.200566362,0.325425964,0.183089664,0.042367796,4.99277661,4.685353856,10.36752264,0.644874633,0.550883424,4.163911407,1.236642579,0.349513196,0.724150045,0.215065762,0.389038979,0.280601997,0.157819768,5.750067181,7.036835022,14.58664006,0.586225067,0.827460743,4.648069591,1.55856854,0.580702684,0.684814527,0.229628743,0.48564238,0.448379156,0.433029953,6.787340815,10.84854646,21.84269207,0.527221791,1.367051489,4.315818379,1.337716995,0.422083646,0.710350396,0.220177893,0.418176866,0.328990885,0.229709952,6.07561902,8.159608416,16.67206135,0.565525595,0.976877702,4.730262571,1.613159794,0.619921054,0.679309103,0.231664546,0.503124383,0.48078745,0.493017846,6.963343419,11.56309047,23.2568465,0.518963654,1.476929679,4.662997142,1.563792496,0.581220542,0.684928051,0.229698907,0.488862471,0.451653254,0.433421443,6.808010179,10.91109798,21.95734507,0.527392076,1.373937167 +UMLKV0043,L,2-METHYL-3-ETHYLPENTANE,CCC(CC)C(C)C,C8H18,Paraffin (non-normal),Alkanes,609-26-7,2.740913413,PubChem,,0.5286,0,-0.2066,0.04268356,34.6912,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1483.122152,1564.909256,1210.855805,405.887328,45.72288,0,0,3947.642614,5029.877407,6806.459662,7774.63306,7379.004519,4747.615757,1398.768499,0,0,181.25648,180.900988,339.441056,442.613024,503.008052,495.704448,302.33088,0,0,30.31423229,39.56609758,57.48793273,68.17071473,69.15295802,52.0800713,20.00758072,0,0,4342.872585,3643.766351,7584.388218,10167.38237,11815.2405,12360.21782,8321.294341,0,0,42.05555556,49.77777778,74.91666667,96.66666667,112,102,45,0,0,45.09238923,49.11105724,30.89837817,24.83982946,16.81744174,5.637324,1.016064,0,0,151.8324082,201.1950963,141.801243,123.406874,102.4861739,65.93910774,31.08374443,0,0,6.971403077,7.23603952,7.071688667,7.025603556,6.986222944,6.884784,6.718464,0,0,1.165932011,1.582643903,1.197665265,1.082074837,0.96045775,0.723334324,0.444612905,0,0,167.033561,145.7506541,158.0080879,161.3870218,164.1005625,171.6696919,184.917652,0,0,1.617521368,1.991111111,1.560763889,1.534391534,1.555555556,1.416666667,1,0,0,0.03606508,-0.007592148,-0.004692776,7.36E-04,-0.012230799,-0.018098212,0.023845377,0,0,670.5194345,-58.02572029,-45.8474827,-97.42590073,-357.4670917,-292.2777022,515.7841804,0,0,1246.859521,-107.9013047,-85.25535183,-181.1676226,-664.7253213,-543.5028679,959.1227081,0,0,0.131350154,-0.01136684,-0.008981207,-0.019085065,-0.070025349,-0.057255195,0.10103858,0,0,5.574042193,-0.482369036,-0.38113109,-0.809903567,-2.971631468,-2.4297107,4.287724764,0,0,30.27828566,-2.620236259,-2.070310131,-4.399409027,-16.1419493,-13.19822708,23.29098897,0,0,3.487179487,-1.641518738,-0.034023669,0.120808679,0.791913215,-3.118343195,2.137573964,0,0,0.001387118,-3.04E-04,-9.78E-05,1.17E-05,-1.70E-04,-2.51E-04,5.30E-04,0,0,25.78920902,-2.321028812,-0.95515589,-1.546442869,-4.964820718,-4.059412531,11.46187067,0,0,47.95613541,-4.316052187,-1.776153163,-2.87567655,-9.23229613,-7.548650944,21.31383796,0,0,0.005051929,-4.55E-04,-1.87E-04,-3.03E-04,-9.73E-04,-7.95E-04,0.002245302,0,0,0.214386238,-0.019294761,-0.007940231,-0.012855612,-0.041272659,-0.033745982,0.095282773,0,0,1.164549448,-0.10480945,-0.043131461,-0.069831889,-0.22419374,-0.183308709,0.517577533,0,0,0.134122288,-0.06566075,-7.09E-04,0.001917598,0.010998795,-0.043310322,0.047501644,0,0,-0.21893294,-0.070481478,0.008422365,-0.1224641,-0.181213109,0.382012988,0,0,-0.09,-0.037037037,-0.059964727,-0.192515432,-0.157407407,0.444444444,0,0,-0.09,-0.037037037,-0.059964727,-0.192515432,-0.157407407,0.444444444,0,0,-0.09,-0.037037037,-0.059964727,-0.192515432,-0.157407407,0.444444444,0,0,-0.09,-0.037037037,-0.059964727,-0.192515432,-0.157407407,0.444444444,0,0,-0.09,-0.037037037,-0.059964727,-0.192515432,-0.157407407,0.444444444,0,0,-0.489558824,-0.005284926,0.014297386,0.082005719,-0.322916667,0.354166667,0,0,1.755267596,1.115791254,1.017089897,1.176549892,1.094046717,1.58E-05,0,0,1.625,1.222511574,1.14638448,1.191165123,0.940393519,0,0,0,1.625,1.222511574,1.14638448,1.191165123,0.940393519,0,0,0,1.625,1.222511574,1.14638448,1.191165123,0.940393519,0,0,0,1.625,1.222511574,1.14638448,1.191165123,0.940393519,0,0,0,1.625,1.222511574,1.14638448,1.191165123,0.940393519,0,0,0,2.102941176,0.833907782,0.891398226,0.954222835,1.493566176,0,0,0,34.83747069,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,-1.42E-14,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,34.83747069,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,-1.42E-14,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,34.83747069,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,-1.42E-14,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,34.83747069,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,-1.42E-14,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,34.83747069,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,-1.42E-14,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,34.83747069,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,-1.42E-14,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,45.89430528,22.81868042,32.35301007,45.70159695,5.712699619,22.81868042,-0.256944444,0.020425407,0.002553176,-3.112780552,29.74037994,3.717547493,2.714004573,0,11.89,12.11011416,-0.163300884,0.057615317,5.5975625,8.899504327,7,25,25,25,7,0,0,0,0,0,19.677726,3.577695675,3.033823398,2.902564078,2.333552793,2.158359307,1.598026915,1.329697604,0.799536031,1.950107724,1.628453427,1.563026335,1.249629723,1.057981325,0.769718516,0.555576148,0.287378039,3.602154634,3.075526295,2.950308951,2.405454588,2.226915609,1.695309721,1.432278403,0.933671614,1.894348711,1.545612802,1.473453684,1.134540686,0.942839812,0.630337185,0.411006381,0.122169339,3.71082862,3.257090894,3.155598408,2.704236987,2.516544332,2.090117344,1.847433766,1.455685557,1.732743249,1.29281334,1.195492746,0.76031856,0.571605204,0.162386152,0.076857313,0.452313445,3.620233761,3.106183012,2.985267979,2.457539916,2.276884688,1.765276817,1.506010736,1.028753948,1.859050919,1.492022154,1.415133181,1.058262671,0.866733555,0.536857124,0.313865687,0.010007601,3.764417201,3.343853287,3.252217518,2.838982085,2.649131608,2.26277616,2.028147589,1.673886504,1.683119188,1.211463716,1.104407163,0.631337262,0.445263731,0.004703131,0.252046414,0.666588149,3.580498841,3.18532199,3.083474825,2.634654398,2.366470503,1.855791473,1.5716612,1.128116863,1.88699292,1.398007425,1.305035835,0.878556837,0.748505711,0.414718268,0.211447329,0.12020106,0,0,0,0,0,4,2,2,0,0,0,0,0,0,0,0,0,0,0,0.5,0,0.166666667,0,0.5,0,0.166666667,0,1.138071187,1.304737854,0.333333333,1.138071187,1.304737854,0.333333333,6.568914101,3.718744015,2.820593172,1.991563832,1.231484176,0,0,0,0.821114263,0.531249145,0.352574147,0.248945479,0.246296835,0,0,0,6.568914101,3.718744015,2.820593172,1.991563832,1.231484176,0,0,0,0.821114263,0.531249145,0.352574147,0.248945479,0.246296835,0,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,43,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.150462963,0,2.68287037,0,0,0,1.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.271990741,0,1.341435185,0,0,0,0.87962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.303240741,0,1.341435185,0,0,0,0.953703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.708333333,0.2,2.303240741,0.2,0.87962963,6.025310185,0.453703704,0.303240741,2.300925926,0.453703704,0.303240741,2.300925926,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0.25,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.08078,1.1351,9.08078,0,0,3.71873,0.46484,3.71873,0,0,0.19527,0.02441,0.19527,0.02441,0,7,0,0,0,0,0,0,1,0.89049164,1.352030102,2.430457026,2.862961352,2.628835904,2.141910926,23.15278265,35.15278265,63.19188266,74.43699516,68.34973349,55.68968407,0.189448582,0.287639068,0.517070141,0.609083729,0.559274464,0.455683097,3.809948078,3.348409616,2.269982693,1.837478366,2.071603814,2.558528792,0.191756937,0.291143835,0.523370433,0.616505171,0.566088999,0.461235413,6.648700044,12.18716158,15.81068299,15.08187147,14.02338128,8.416499269,31.72521615,23.41346491,20.82594038,22.26853035,19.67154262,14.53242082,8,3.9375,2.8125,8,0,5,2.34,1.2358,1.683693072,3.509530701,4.298279727,0,0.5,2.828427125,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,3.31,8,8,5,0,0,0,0,0,0,36,2.079441542,2.197224577,2.197224577,1.791759469,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,2,4,1,2,1.111111111,0.625,0,0,0,0,0,0,0,0.285714286,0.138888889,0.078125,0,0,0,0,0,0,0,0.502728175,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,0,146.9243357,4,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,72.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.389132521,114.1408506,4.390032714,14.50113758,1.812642197,0,0,0,67,8,4.77,30,1.2278,2.116942009,2.890690877,3.528596142,4.132140447,4.3327157,0,0,0,0,71.2221278,74.49919381,79.84960211,63.02420955,22.98088678,4.402316445,0,0,0,0,272.5498825,326.3003669,379.4586064,377.8491409,270.1064129,134.6770275,0,0,0,0,8.919363223,15.03016952,20.35934474,24.711296,28.43761771,29.10919445,0,0,0,0,2.081648384,2.695254639,3.265893871,3.505412155,2.970021323,1.926381313,0,0,0,0,176.77647,330.1832551,462.903554,574.4099365,710.2615072,801.1956141,0,0,0,0,2.496728889,3.41633496,4.54786457,5.629259083,5.825615065,4.3327157,0,0,0,0,0.4321989,0.568411947,0.694088941,0.753886931,0.656153289,0.443670088,0,0,0,0,371.5176786,164.1672059,8.997885567,144.0348237,-63.64648554,-8.448576584,227.4828549,227.8136915,17.44646215,0.720620455,0.318429656,0.017452899,0.279379545,-0.123452966,-0.016387422,191.5368689,84.63681382,4.63888242,74.25751377,-32.81310489,-4.355684799,0.068116254,0.146923288,0.873985219,8.122908046,515.5525023,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,789.5810691,28.09948521,9.24270111,1.310755992,1.079729203,412.8023231,322.6413157,201.5450191,1.279446565,2.048189159,1.600839937,4.06011539,3.220218461,6.42424645,0.994972244,5.020210116,6.998742132,4.443943251,25.76328326,8.973577028,8.762590663,12.21431452,19.66810752,4.64749678,5.892806661,0.856847675,1.126710554,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421311436,6.641857987,0.273717616,9.632431182,1.07224249,2.100169938,0.740733364,0.886866376,1.020548014,0.078673318,0.006035917,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.36004468,6.665709896,0.948980455,11.88829835,1.638320707,2.868580356,2.366599633,3.365561985,1.360211116,0.52799507,0.062890516,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.738668827,6.959560866,4.12639298,24.40898435,8.119556589,8.145457723,11.25856482,18.03899481,4.283712223,5.275978254,0.763436588,1.003878819,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.00445563,6.696631338,1.464776098,13.74472297,2.337718176,3.571708022,3.695341534,5.469423332,1.712347729,1.055409531,0.136603976,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.062630795,7.163493128,5.690371494,31.19409337,12.55608542,11.28516008,16.04068002,26.24423159,6.155368459,8.472867128,1.249628322,1.643201452,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.12182802,5.684237802,2.244697555,16.06555888,3.729449733,4.677358484,6.038531587,9.162306394,2.818627232,2.184854302,0.293606345,0.386070957,2.75E-15,3.78E-51,1.00E-108,5.12E-188,5.05E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.074025219,1.781052037,0.961359942,0.528506561,0.306210138,0.457401346,0.459093694,0.41222919,5.816437198,10.14247567,21.22235747,0.292759841,1.328724229,2.339972777,1.279096355,0.487854151,0.569762963,0.311448807,0.265616525,0.240153122,0.107502923,4.106923283,4.758628548,10.32572401,0.354644444,0.613272569,2.642416221,1.485821343,0.683278519,0.549185782,0.308805233,0.338339114,0.32206611,0.209884912,4.811516083,6.746894467,14.24107026,0.323778672,0.870290135,3.056914392,1.769341895,0.950352406,0.529188414,0.306294227,0.45233885,0.453211487,0.40297755,5.776608693,9.995370978,20.91217611,0.293782621,1.308527887,2.772481674,1.574758248,0.767173742,0.542091793,0.307905921,0.372325857,0.360870776,0.263996086,5.114413663,7.7010767,16.16496201,0.31313769,0.997192719,3.127267816,1.817493092,0.995602851,0.526443824,0.305956532,0.473334867,0.477634474,0.441655921,5.94036376,10.60680571,22.20596467,0.289665737,1.392625263,3.067631537,1.771489602,0.953096127,0.52961265,0.305839633,0.455488325,0.454206068,0.405238512,5.792217266,10.04642499,21.01803097,0.294418975,1.314932905 +UMLKV0044,L,"2,2,3-TRIMETHYLPENTANE",CCC(C)C(C)(C)C,C8H18,Paraffin (non-normal),Alkanes,564-02-3,2.726221765,PubChem,,0.6794,0,1.4529,2.11091841,36.4724,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1725.25417,1698.001544,987.012939,272.79504,27.433728,0,0,3947.642614,5029.877407,7256.714489,8778.467523,7488.257092,3743.781294,839.2610996,0,0,181.25648,180.900988,339.488488,447.40304,623.892972,490.914432,181.398528,0,0,30.31423229,39.56609758,59.5007813,76.19789159,75.14314174,44.05289444,12.00454843,0,0,4342.872585,3643.766351,7595.322043,9785.84112,15132.82441,12741.75907,4992.776605,0,0,43.59027778,51.16666667,77.20833333,113.25,134.25,90,27,0,0,45.09238923,49.11105724,35.94279521,26.95240546,10.96681043,3.78882,1.016064,0,0,151.8324082,201.1950963,151.1815518,139.3407543,83.20285658,51.99696242,31.08374443,0,0,6.971403077,7.23603952,7.072676833,7.101635556,6.932144133,6.818256,6.718464,0,0,1.165932011,1.582643903,1.23959961,1.209490343,0.834923797,0.611845756,0.444612905,0,0,167.033561,145.7506541,158.2358759,155.3308114,168.1424935,176.9688759,184.917652,0,0,1.676549145,2.046666667,1.608506944,1.797619048,1.491666667,1.25,1,0,0,0.034868372,-0.009829724,0.012622776,-0.020707288,-0.018771179,0.004667458,0.014583771,0,0,670.5194345,-58.02572029,196.2845353,-544.438857,-393.2854375,154.7352541,309.4705082,0,0,1246.859521,-107.9013047,364.999475,-1012.407303,-731.331065,287.7368124,575.4736249,0,0,0.131350154,-0.01136684,0.038450793,-0.106651834,-0.077041917,0.030311574,0.060623148,0,0,5.574042193,-0.482369036,1.63171748,-4.525931695,-3.269390132,1.286317429,2.572634858,0,0,30.27828566,-2.620236259,8.863515246,-24.5849328,-17.75937909,6.987296691,13.97459338,0,0,4.000267094,-2.491442719,2.22066075,-1.212986933,-1.724482249,-0.269970414,1.478088018,0,0,0.001341091,-3.93E-04,2.63E-04,-3.29E-04,-2.09E-04,6.48E-05,5.40E-04,0,0,25.78920902,-2.321028812,4.089261152,-8.64188662,-4.369838195,2.149100751,11.46187067,0,0,47.95613541,-4.316052187,7.60415573,-16.06995719,-8.125900722,3.996344617,21.31383796,0,0,0.005051929,-4.55E-04,8.01E-04,-0.001692886,-8.56E-04,4.21E-04,0.002245302,0,0,0.214386238,-0.019294761,0.033994114,-0.071840186,-0.036326557,0.01786552,0.095282773,0,0,1.164549448,-0.10480945,0.184656568,-0.390237029,-0.197326434,0.097045787,0.517577533,0,0,0.153856427,-0.099657709,0.046263766,-0.019253761,-0.019160914,-0.003749589,0.054744001,0,0,-0.293185851,0.196089935,-0.245089295,-0.155521598,0.048338106,0.402761303,0,0,-0.09,0.158564815,-0.335097002,-0.169444444,0.083333333,0.444444444,0,0,-0.09,0.158564815,-0.335097002,-0.169444444,0.083333333,0.444444444,0,0,-0.09,0.158564815,-0.335097002,-0.169444444,0.083333333,0.444444444,0,0,-0.09,0.158564815,-0.335097002,-0.169444444,0.083333333,0.444444444,0,0,-0.09,0.158564815,-0.335097002,-0.169444444,0.083333333,0.444444444,0,0,-0.647731856,0.300694398,-0.125141089,-0.124537624,-0.024370702,0.355812245,0,0,1.83000019,0.807150078,1.465824467,1.118834906,0.659196746,9.42E-05,0,0,1.625,1.03443287,1.57627866,1.053240741,0.564236111,0,0,0,1.625,1.03443287,1.57627866,1.053240741,0.564236111,0,0,0,1.625,1.03443287,1.57627866,1.053240741,0.564236111,0,0,0,1.625,1.03443287,1.57627866,1.053240741,0.564236111,0,0,0,1.625,1.03443287,1.57627866,1.053240741,0.564236111,0,0,0,2.25332176,0.509948588,1.374329527,1.126226881,0.781197837,0,0,0,32.63033722,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,-3.55E-15,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,32.63033722,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,-3.55E-15,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,32.63033722,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,-3.55E-15,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,32.63033722,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,-3.55E-15,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,32.63033722,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,-3.55E-15,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,32.63033722,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,-3.55E-15,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,46.41952658,23.05811398,34.31794781,46.19205262,5.774006577,23.05811398,-0.303298611,0.08659039,0.010823799,-1.95725315,25.42394399,3.177992999,2.588553125,0,11.89,12.11011416,-0.158168268,0.063317183,5.598556974,9.218400949,7,25,25,25,7,0,0,0,0,0,19.677726,3.61529844,3.07136948,2.633404258,2.333552793,2.333552793,1.838393289,1.227434618,0.406441823,1.962164385,1.646394991,1.404041859,1.249629723,1.249629723,0.890079348,0.470045972,0.083923071,3.637374815,3.111265539,2.690693159,2.405454588,2.405454588,1.922740797,1.330945089,0.522639921,1.908928043,1.565545347,1.302544748,1.134540686,1.134540686,0.761132528,0.322939144,0.270913902,3.736755696,3.285747906,2.934594266,2.704236987,2.704236987,2.270668972,1.75081996,0.962616277,1.757042216,1.320226725,0.981451671,0.76031856,0.76031856,0.335350532,0.1724602,0.943918427,3.653762855,3.140636618,2.732524027,2.457539916,2.457539916,1.983732675,1.405408281,0.604396897,1.875432491,1.513357117,1.235954466,1.058262671,1.058262671,0.67516596,0.224165091,0.399277246,3.786501259,3.369573086,3.047746735,2.838982085,2.838982085,2.425698103,1.934019927,1.207644823,1.711220202,1.241780195,0.874195211,0.631337262,0.631337262,0.18626698,0.349920217,1.138227377,3.606859787,3.187135367,2.846756186,2.607254599,2.607254599,2.056158302,1.442974693,0.615591084,1.9109678,1.448096619,1.109485706,0.903112587,0.903112587,0.572795623,0.146082334,0.568047337,0,0,0,0,0,5,1,1,1,0,0,0,0,0,0,0,0,0,0,1.570149549,0.288675135,0.612372436,0.204124145,1.570149549,0.288675135,0.612372436,0.204124145,2.29489442,1.717544151,0.816496581,2.29489442,1.717544151,0.816496581,6.78445705,3.481380475,3.675321265,2.090770275,0.612372436,0,0,0,0.848057131,0.497340068,0.367532126,0.261346284,0.204124145,0,0,0,6.78445705,3.481380475,3.675321265,2.090770275,0.612372436,0,0,0,0.848057131,0.497340068,0.367532126,0.261346284,0.204124145,0,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,43,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,5,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,11.42997685,0,1.295138889,0,0,0,0.849537037,0,0,0,0,0,0.508680556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.245949074,0,1.295138889,0,0,0,0.849537037,0,0,0,0,0,0.508680556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.305555556,0,1.295138889,0,0,0,0.849537037,0,0,0,0,0,0.508680556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.08333333,1.760416667,0.2,2.305555556,0,0.508680556,6.047686921,0.741319444,0.305555556,2.859953704,0.741319444,0.305555556,2.859953704,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.625,0.125,0.125,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.87351,1.23419,9.87351,0,0,3.48137,0.43517,3.48137,0,0,0.43263,0.05408,0.43263,0.05408,0,7,0,0,0,0,0,0,1,0.89049164,1.36704393,2.186661009,2.977594044,2.796807901,2.073663329,23.15278265,35.54314217,56.85318624,77.41744515,72.71700543,53.91524656,0.189448582,0.290833201,0.4652035,0.633471382,0.595009844,0.44116369,3.809948078,3.333395788,2.513778709,1.722845674,1.903631817,2.626776389,0.191756937,0.294376887,0.470871819,0.641189977,0.6022598,0.446539093,6.648700044,12.36732752,16.0913829,16.88850501,14.71907129,8.028569344,31.72521615,23.58736256,19.5115274,19.56928622,18.48456937,15.04963265,8,2.52,2.8125,8,0,5,2.34,1.2358,3.453222023,2.251600064,2.871745887,3.494135594,0,1,0.5,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.131,0.009,0.004,3.126,10,8,3,0,0,0,0,0,0,36,2.079441542,2.397895273,2.197224577,1.386294361,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,7,1,0,2,4,1,3.5,1.555555556,0.375,0,0,0,0,0,0,0,0.5,0.155555556,0.046875,0,0,0,0,0,0,0,0.702430556,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,0,146.9243357,4,3.555348061,4.262679877,5.093750201,5.837730447,6.665683718,7.418780883,8.245121966,9.000976444,9.826552511,74.90662411,2.708050201,0,4.007333185,0,5.493061443,0,7.041411664,0,8.611593867,8.847216104,114.1408506,4.390032714,14.27506506,1.784383133,0,0,0,63,8,4.807,34,1.2278,2.115728773,2.940592732,3.483150921,4.039607182,5.232313993,0,0,0,0,71.2221278,87.331823,85.08575207,43.53259647,17.66410327,5.316365885,0,0,0,0,272.5498825,351.7650236,425.8101611,306.0325314,227.8379907,162.6399109,0,0,0,0,8.919363223,15.034845,20.9170714,24.18647133,27.62796807,35.1531132,0,0,0,0,2.081648384,2.816384767,3.652892859,3.01020965,2.613880005,2.326354323,0,0,0,0,176.77647,329.6995075,454.3505232,582.6750792,708.1227895,967.5472182,0,0,0,0,2.554006667,3.566333875,5.378081323,5.305411836,5.262181747,5.232313993,0,0,0,0,0.4321989,0.591022767,0.774424111,0.65397807,0.581882036,0.535788953,0,0,0,0,365.5889697,158.5222281,8.710041916,132.5246172,-57.46370746,-7.943168728,233.0643524,215.9859356,16.65321064,0.733946994,0.31824514,0.017486056,0.266053006,-0.115362658,-0.015946501,182.104833,78.96207565,4.338590221,66.01231246,-28.62345344,-3.956600267,0.069906388,0.149945248,1.110367255,8.544623402,498.1135869,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,802.7825626,28.33341777,9.293928139,1.356712851,1.205835205,402.2350976,350.6655414,175.5377837,1.147061944,2.291444549,1.997664172,4.005806409,3.220218461,6.42424645,0.994972244,5.020209962,6.639747311,3.146753005,33.39584926,5.779165731,8.175491935,12.12351992,15.87589566,7.307921636,6.848678346,1.605890969,1.126710556,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327401,0.172231541,11.19507196,2.520086018,0.198384417,0.791179373,0.828446203,1.079077926,0.085380733,0.01131149,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639356169,0.616509384,14.63444099,2.762175118,0.961711406,2.405323499,2.925947131,1.657705419,0.598086754,0.117866056,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639701459,2.907031473,31.65032007,5.429947728,7.381141141,11.18246914,14.61013113,6.681502245,6.127625593,1.430820678,1.00387882,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.639392825,0.969856243,17.31978142,3.054006229,1.742539166,3.720938774,4.655017803,2.260625367,1.207719227,0.256018195,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.639939952,4.099761049,40.29750171,7.242135323,11.46405312,15.88859003,20.95368588,9.905556565,9.866997258,2.34203757,1.643201455,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.089828701,5.15200951,1.26108368,21.23764515,3.989383164,3.224142371,5.84268694,7.252823959,3.679786561,2.365819604,0.518189813,0.363564458,2.59E-15,3.56E-51,9.43E-109,4.82E-188,4.75E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.232310161,1.571722687,1.031582922,0.553893589,0.269332792,0.494925825,0.487819114,0.472272603,5.83561577,10.03605345,21.11241501,0.330840383,1.455017542,2.529466781,0.994999333,0.543337743,0.621826143,0.244603567,0.302559108,0.194873012,0.131480342,4.067803857,4.431793224,9.867079162,0.432739214,0.628912462,2.81914177,1.232692723,0.744590252,0.587758991,0.257002411,0.376107664,0.299504578,0.246527139,4.796424745,6.49209201,13.87606881,0.381638487,0.922139381,3.215934427,1.558285398,1.020209206,0.555004541,0.268928205,0.489904897,0.479478868,0.46194868,5.79442903,9.882046673,20.78909464,0.332506812,1.431332445,2.943674118,1.334878993,0.831098655,0.576100731,0.261246569,0.410197152,0.351419973,0.306947737,5.109651766,7.485348477,15.86075981,0.364151097,1.068564862,3.283263549,1.613533025,1.066971913,0.550535044,0.270555946,0.510713156,0.514233391,0.505121608,5.963768487,10.52239857,22.13861526,0.325802567,1.530068155,3.223945742,1.562389465,1.022364074,0.555020253,0.268974066,0.492451654,0.482203964,0.463836146,5.808699282,9.930436029,20.88884333,0.332530379,1.438491763 +UMLKV0045,L,"2,2,4-TRIMETHYLPENTANE",CC(C)CC(C)(C)C,C8H18,Paraffin (non-normal),Alkanes,540-84-1,2.726484621,PubChem,,0.6033,0,2.4503,6.00397009,38.1492,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1725.25417,1334.803517,1150.572534,444.999744,54.867456,0,0,3947.642614,5029.877407,7256.714489,8103.085283,6657.887638,4410.271889,1678.522199,0,0,181.25648,180.900988,339.488488,447.331892,616.779096,316.700928,362.797056,0,0,30.31423229,39.56609758,59.5007813,73.17861874,66.1216493,44.0891113,24.00909686,0,0,4342.872585,3643.766351,7595.322043,9769.440382,15721.53703,7176.670586,9985.553209,0,0,43.59027778,51.04166667,78.58333333,112.75,115.5,81,54,0,0,45.09238923,49.11105724,35.94279521,21.18735741,12.78413927,9.8888832,1.016064,0,0,151.8324082,201.1950963,151.1815518,128.6204013,73.97652931,98.00604198,31.08374443,0,0,6.971403077,7.23603952,7.072676833,7.100506222,6.853101067,7.0377984,6.718464,0,0,1.165932011,1.582643903,1.23959961,1.161565377,0.734684992,0.979758029,0.444612905,0,0,167.033561,145.7506541,158.2358759,155.0704823,174.6837448,159.4815686,184.917652,0,0,1.676549145,2.041666667,1.637152778,1.78968254,1.283333333,1.8,1,0,0,0.034874423,-0.008917484,0.015414224,-0.049197905,0.041146175,-0.045353305,0.029471083,0,0,670.5194345,-58.02572029,196.2845353,-907.636884,640.4320239,-825.2546886,618.9410164,0,0,1246.859521,-107.9013047,364.999475,-1687.789543,1190.910696,-1534.596333,1150.94725,0,0,0.131350154,-0.01136684,0.038450793,-0.177799834,0.125456237,-0.161661728,0.121246296,0,0,5.574042193,-0.482369036,1.63171748,-7.54520455,5.323924915,-6.860359622,5.145269717,0,0,30.27828566,-2.620236259,8.863515246,-40.98567087,28.91964464,-37.26558235,27.94918676,0,0,4.000267094,-2.616442719,3.59566075,-6.340390779,6.364460059,-5.959596893,2.956176036,0,0,0.001341324,-3.57E-04,3.21E-04,-7.81E-04,4.57E-04,-0.001007851,5.46E-04,0,0,25.78920902,-2.321028812,4.089261152,-14.40693467,7.115911377,-18.33899308,11.46187067,0,0,47.95613541,-4.316052187,7.60415573,-26.79031021,13.23234107,-34.10214073,21.31383796,0,0,0.005051929,-4.55E-04,8.01E-04,-0.00282222,0.001393958,-0.003592483,0.002245302,0,0,0.214386238,-0.019294761,0.033994114,-0.119765152,0.059154721,-0.152452436,0.095282773,0,0,1.164549448,-0.10480945,0.184656568,-0.650566204,0.321329385,-0.828124052,0.517577533,0,0,0.153856427,-0.104657709,0.074909599,-0.100641123,0.070716223,-0.132435487,0.054744001,0,0,-0.265930799,0.239412456,-0.582200224,0.340842126,-0.751385368,0.406882155,0,0,-0.09,0.158564815,-0.558641975,0.275925926,-0.711111111,0.444444444,0,0,-0.09,0.158564815,-0.558641975,0.275925926,-0.711111111,0.444444444,0,0,-0.09,0.158564815,-0.558641975,0.275925926,-0.711111111,0.444444444,0,0,-0.09,0.158564815,-0.558641975,0.275925926,-0.711111111,0.444444444,0,0,-0.09,0.158564815,-0.558641975,0.275925926,-0.711111111,0.444444444,0,0,-0.680229686,0.486879882,-0.654123624,0.459624758,-0.860773186,0.355812245,0,0,1.801167903,0.78815335,1.85664522,0.360289243,2.06096631,2.36E-05,0,0,1.625,1.03443287,1.79122575,0.451388889,1.805555556,0,0,0,1.625,1.03443287,1.79122575,0.451388889,1.805555556,0,0,0,1.625,1.03443287,1.79122575,0.451388889,1.805555556,0,0,0,1.625,1.03443287,1.79122575,0.451388889,1.805555556,0,0,0,1.625,1.03443287,1.79122575,0.451388889,1.805555556,0,0,0,2.284569673,0.330924084,1.997427802,0.151899579,2.499833077,0,0,0,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,47.51137915,23.60404027,36.42074143,47.28390519,5.910488149,23.60404027,-0.303298611,0.069676456,0.008709557,-2.131114248,29.6799635,3.709995438,2.712377751,0,11.89,12.11011416,-0.159339712,0.061922972,5.9119375,8.904306431,7,25,25,25,7,0,0,0,0,0,19.677726,3.592008556,3.179705212,2.333552793,2.333552793,2.333552793,2.167113911,1.048880678,0.462707667,1.954137036,1.700210789,1.249629723,1.249629723,1.249629723,1.068398448,0.391977468,0.083923071,3.615439298,3.214821748,2.405454588,2.405454588,2.405454588,2.235900366,1.162535052,0.568769731,1.89931099,1.625172106,1.134540686,1.134540686,1.134540686,0.953162997,0.236164495,0.270913902,3.720228904,3.370103217,2.704236987,2.704236987,2.704236987,2.526266251,1.621470524,0.966353878,1.741484876,1.401130811,0.76031856,0.76031856,0.76031856,0.581431987,0.295298608,0.943918427,3.632796401,3.240763222,2.457539916,2.457539916,2.457539916,2.286022252,1.244238386,0.643043341,1.864692752,1.577040195,1.058262671,1.058262671,1.058262671,0.876980678,0.131040995,0.399277246,3.772273965,3.445738001,2.838982085,2.838982085,2.838982085,2.659090551,1.819820028,1.207644823,1.693409454,1.330703101,0.631337262,0.631337262,0.631337262,0.454834927,0.48816063,1.124443599,3.592231329,3.276863964,2.607254599,2.607254599,2.607254599,2.327374127,1.296485879,0.62512708,1.89351304,1.522549093,0.903112587,0.903112587,0.903112587,0.800458083,0.037656838,0.568047337,0,0,0,0,0,5,1,1,1,0,0,0,0,0,0,0,0,0,0,1.968908462,0.353553391,0,0,1.968908462,0.353553391,0,0,0.816496581,2.041241452,1.020620726,0.816496581,2.041241452,1.020620726,6.78445705,3.416502219,4.158631167,1.020620726,1.224744871,0,0,0,0.848057131,0.488071746,0.415863117,0.204124145,0.204124145,0,0,0,6.78445705,3.416502219,4.158631167,1.020620726,1.224744871,0,0,0,0.848057131,0.488071746,0.415863117,0.204124145,0.204124145,0,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,45,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,5,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,11.39236111,0,1.326388889,0,0,0,0.842592593,0,0,0,0,0,0.521990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.269097222,0,1.326388889,0,0,0,0.842592593,0,0,0,0,0,0.521990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.284722222,0,1.326388889,0,0,0,0.842592593,0,0,0,0,0,0.521990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.08333333,1.760416667,0.2,2.284722222,0,0.521990741,6.046809028,0.728009259,0.284722222,2.784722222,0.728009259,0.284722222,2.784722222,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.625,0.125,0.125,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.73928,1.21741,9.73928,0,0,3.41649,0.42706,3.41649,0,0,0.49751,0.06219,0.49751,0.06219,0,7,0,0,0,0,0,0,1,0.89049164,1.36704393,2.109737932,2.669901737,2.489115594,1.842894099,23.15278265,35.54314217,54.85318624,69.41744515,64.71700543,47.91524656,0.189448582,0.290833201,0.448838419,0.568011058,0.529549519,0.392068447,3.809948078,3.333395788,2.590701786,2.030537982,2.211324125,2.85754562,0.191756937,0.294376887,0.454307336,0.574932045,0.536001868,0.396845644,6.648700044,12.36732752,15.16830597,15.73285308,13.56341936,8.937675332,31.72521615,23.58736256,20.75788419,21.58789648,20.50317962,17.76444748,8,2.52,7.2,8,0,5,2.34,1.2358,3.298769777,2.5,2.58640929,3.221970075,0,1,1,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.131,0.009,0.004,3.126,10,5,6,0,0,0,0,0,0,36,2.079441542,2.397895273,1.791759469,1.945910149,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,7,1,0,2,4,1,4,0.666666667,0.75,0,0,0,0,0,0,0,0.571428571,0.066666667,0.15,0,0,0,0,0,0,0,0.788095238,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,0,146.9243357,4,3.555348061,4.17438727,5.056245805,5.686975356,6.577861358,7.211556733,8.105005538,8.739536423,9.633841843,73.74075839,2.708050201,0,4.007333185,0,5.416100402,0,6.882437471,0,8.379079889,8.635687085,114.1408506,4.390032714,14.27908074,1.784885093,0,0,0,66,5,4.807,34,1.2278,2.115728773,2.941571657,3.435863964,4.168456882,4.591747212,0,0,0,0,71.2221278,87.331823,66.2360442,49.51859867,42.38461035,4.665509039,0,0,0,0,272.5498825,351.7650236,389.2140277,271.2450924,417.3074773,142.7286968,0,0,0,0,8.919363223,15.034845,20.91004856,23.58942738,29.37862393,30.84948834,0,0,0,0,2.081648384,2.816384767,3.482229517,2.631808581,4.154236656,2.041550066,0,0,0,0,176.77647,329.6995075,454.4862559,597.024756,661.4573701,849.0951131,0,0,0,0,2.546391667,3.646097269,5.311626286,4.525357563,7.608102435,4.591747212,0,0,0,0,0.4321989,0.591022767,0.742723227,0.573088326,0.900145213,0.470194914,0,0,0,0,373.7077614,162.5423626,8.947225015,118.7815566,-51.66345693,-6.901876529,254.9262048,214.2058195,15.84910154,0.758813943,0.330042412,0.018167348,0.241186057,-0.104902695,-0.014014266,184.0470805,80.05037729,4.406412745,58.49864778,-25.44370067,-3.399100465,0.067974271,0.144036782,0.836073938,8.049388056,492.489318,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,801.7991682,28.31605849,9.290131623,1.404310375,1.404310375,410.0261221,373.1117009,161.6504711,1.098936649,2.536498158,2.308138655,4.005012793,3.22022378,6.424248771,0.99496967,5.020218393,6.683004489,3.186528603,26.75033514,4.692708239,14.65268939,10.09536312,12.72250273,5.546721246,8.179924101,2.32761958,1.126710559,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421311494,6.642958987,0.1725264,11.70491739,1.527764632,1.670896912,0.414037182,0.67966319,1.115878738,0.094794332,0.016394683,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.360045288,6.651078506,0.619466497,13.979447,1.765622122,3.525905859,1.423351546,2.329101507,1.654860668,0.695889075,0.170836853,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.738676201,6.680533608,2.942480948,25.54746859,4.354553874,13.57676117,9.160639552,11.69913552,5.146185028,7.313767434,2.073867876,1.003878823,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.00445695,6.65666852,0.976243274,15.7773557,2.050099432,5.035319258,2.40329219,3.701527375,2.133363791,1.420066592,0.371077844,0.17962281,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.062642867,6.692174986,4.157722022,31.52396775,6.10869562,18.95563992,13.94458422,16.8364309,7.176517963,11.80837168,3.394610919,1.64320146,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.089831421,5.141674799,1.242128226,18.98228424,2.343087082,8.193086423,3.640308071,5.528922222,3.318008076,2.795540533,0.751075597,0.363564459,2.59E-15,3.56E-51,9.43E-109,4.82E-188,4.75E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.400794242,1.424765966,1.037813733,0.580006371,0.242994218,0.523423263,0.584057321,0.464255295,5.863373941,9.853368547,20.74529862,0.370009557,1.57173588,2.722439864,0.871012702,0.546324625,0.657629563,0.210400865,0.335152069,0.217909949,0.128018615,4.139777191,4.334471328,9.769737012,0.486444344,0.681080632,3.00199774,1.099244856,0.748931772,0.618946354,0.226640276,0.407658717,0.347351679,0.241115369,4.850174369,6.371481461,13.69307868,0.42841953,0.996125764,3.384986923,1.411864347,1.026366062,0.581291532,0.242454345,0.518558464,0.573510195,0.454025145,5.823217333,9.702467702,20.43083455,0.371937298,1.546093803,3.1221914,1.197360968,0.836014827,0.605596103,0.232246215,0.441021943,0.412249757,0.300709038,5.155567194,7.349599941,15.6305167,0.408394154,1.153980737,3.4499796,1.464909442,1.073432357,0.576117975,0.244627725,0.538706255,0.617490156,0.496819176,5.9883214,10.32970862,21.74305807,0.364176963,1.653015587,3.39316235,1.415176613,1.028529824,0.581332642,0.242454759,0.521086913,0.57633231,0.456017766,5.836868787,9.747444029,20.52323486,0.371998962,1.553436989 +UMLKV0046,L,"2,3,3-TRIMETHYLPENTANE",CCC(C)(C)C(C)C,C8H18,Paraffin (non-normal),Alkanes,560-21-4,2.726000113,PubChem,,0.7021,0,1.794,3.218436,38.243,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1725.25417,1819.067553,932.493074,215.393472,18.289152,0,0,3947.642614,5029.877407,7256.714489,9003.594936,7765.04691,3521.617762,559.5073998,0,0,181.25648,180.900988,339.488488,447.426756,626.264264,548.9856,120.932352,0,0,30.31423229,39.56609758,59.5007813,77.20431588,78.15030588,44.04082215,8.003032287,0,0,4342.872585,3643.766351,7595.322043,9791.308033,14936.58687,14596.78856,3328.517736,0,0,43.59027778,51.20833333,76.58333333,113.0833333,141,93,18,0,0,45.09238923,49.11105724,35.94279521,28.87408814,10.36103416,2.659178667,1.016064,0,0,151.8324082,201.1950963,151.1815518,142.9142053,86.278299,43.4767625,31.08374443,0,0,6.971403077,7.23603952,7.072676833,7.102012,6.958491822,6.7776,6.718464,0,0,1.165932011,1.582643903,1.23959961,1.225465331,0.868336732,0.543713854,0.444612905,0,0,167.033561,145.7506541,158.2358759,155.4175878,165.9620764,180.2072662,184.917652,0,0,1.676549145,2.048333333,1.595486111,1.794973545,1.566666667,1.148148148,1,0,0,0.034866384,-0.010133835,0.011691591,-0.011210056,-0.038740398,0.021336381,0.009623126,0,0,670.5194345,-58.02572029,196.2845353,-423.372848,-737.8579247,481.3985683,206.3136721,0,0,1246.859521,-107.9013047,364.999475,-787.2798896,-1372.078319,895.1811943,383.6490833,0,0,0.131350154,-0.01136684,0.038450793,-0.082935834,-0.144541302,0.094302675,0.040415432,0,0,5.574042193,-0.482369036,1.63171748,-3.51950741,-6.133828482,4.001876446,1.715089906,0,0,30.27828566,-2.620236259,8.863515246,-19.11802011,-33.31905366,21.73825637,9.316395587,0,0,4.000267094,-2.449776052,1.59566075,0.779801529,-4.537783531,1.626571746,0.985392012,0,0,0.001341015,-4.05E-04,2.44E-04,-1.78E-04,-4.30E-04,2.63E-04,5.35E-04,0,0,25.78920902,-2.321028812,4.089261152,-6.720203937,-8.198421385,5.943192202,11.46187067,0,0,47.95613541,-4.316052187,7.60415573,-12.49650618,-15.24531465,11.05161968,21.31383796,0,0,0.005051929,-4.55E-04,8.01E-04,-0.001316442,-0.001606014,0.001164231,0.002245302,0,0,0.214386238,-0.019294761,0.033994114,-0.055865197,-0.06815365,0.049405882,0.095282773,0,0,1.164549448,-0.10480945,0.184656568,-0.303460637,-0.370211707,0.268373535,0.517577533,0,0,0.153856427,-0.097991042,0.033242932,0.012377802,-0.050419817,0.020081133,0.054744001,0,0,-0.302273636,0.181634695,-0.132688618,-0.32098742,0.196427447,0.398666838,0,0,-0.09,0.158564815,-0.260582011,-0.317901235,0.230452675,0.444444444,0,0,-0.09,0.158564815,-0.260582011,-0.317901235,0.230452675,0.444444444,0,0,-0.09,0.158564815,-0.260582011,-0.317901235,0.230452675,0.444444444,0,0,-0.09,0.158564815,-0.260582011,-0.317901235,0.230452675,0.444444444,0,0,-0.09,0.158564815,-0.260582011,-0.317901235,0.230452675,0.444444444,0,0,-0.636899246,0.216064632,0.080450341,-0.327706928,0.130518647,0.355812245,0,0,1.839613515,0.813451866,1.335392317,1.371650036,0.399818906,2.34E-05,0,0,1.625,1.03443287,1.50462963,1.253858025,0.33436214,0,0,0,1.625,1.03443287,1.50462963,1.253858025,0.33436214,0,0,0,1.625,1.03443287,1.50462963,1.253858025,0.33436214,0,0,0,1.625,1.03443287,1.50462963,1.253858025,0.33436214,0,0,0,1.625,1.03443287,1.50462963,1.253858025,0.33436214,0,0,0,2.242905789,0.591323362,1.098430292,1.487169215,0.462932051,0,0,0,32.1365591,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,-3.55E-15,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,32.1365591,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,-3.55E-15,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,32.1365591,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,-3.55E-15,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,32.1365591,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,-3.55E-15,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,32.1365591,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,-3.55E-15,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,32.1365591,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,-3.55E-15,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,45.86205434,22.77937786,33.01612541,45.63458038,5.704322548,22.77937787,-0.303298611,0.00513957,6.42E-04,-4.216628627,32.5909734,4.073871675,2.787228288,0,11.89,12.11011416,-0.162354296,0.058720949,5.755742675,9.528253252,7,25,25,25,7,0,0,0,0,0,19.677726,3.622049278,3.017844806,2.716158568,2.333552793,2.333552793,1.741838948,1.305878985,0.391568215,1.964591417,1.618912912,1.450314259,1.249629723,1.249629723,0.835507992,0.506396866,0.083923071,3.643752304,3.060024786,2.770106129,2.405454588,2.405454588,1.830292954,1.405414736,0.510463099,1.911819164,1.535284781,1.352549382,1.134540686,1.134540686,0.70251216,0.363319011,0.270913902,3.741623954,3.24368199,3.000843817,2.704236987,2.704236987,2.193881938,1.809666382,0.961632677,1.761636631,1.279808803,1.045387453,0.76031856,0.76031856,0.261222531,0.116316794,0.943918427,3.659872133,3.091035019,2.809552763,2.457539916,2.457539916,1.894186476,1.477033546,0.594204588,1.878649112,1.481159244,1.288577317,1.058262671,1.058262671,0.613685355,0.26742727,0.399277246,3.790718189,3.331417547,3.108532056,2.838982085,2.838982085,2.355147861,1.986515781,1.207644823,1.716449518,1.197532556,0.943532502,0.631337262,0.631337262,0.10588789,0.287439435,1.141855713,3.608395979,3.147943432,2.91771574,2.607254599,2.607254599,1.965042481,1.512906426,0.613075668,1.917197079,1.408442197,1.166882854,0.903112587,0.903112587,0.511894579,0.192615678,0.568047337,0,0,0,0,0,5,1,1,1,0,0,0,0,0,0,0,0,0,0,1.33915195,0.204124145,0.696923425,0.204124145,1.33915195,0.204124145,0.696923425,0.204124145,2.937122946,1.632993162,0.40824829,2.937122946,1.632993162,0.40824829,6.78445705,3.504035845,3.496835125,2.474179755,0.40824829,0,0,0,0.848057131,0.500576549,0.349683512,0.274908862,0.204124145,0,0,0,6.78445705,3.504035845,3.496835125,2.474179755,0.40824829,0,0,0,0.848057131,0.500576549,0.349683512,0.274908862,0.204124145,0,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,41,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,5,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,11.44675926,0,1.282407407,0,0,0,0.8125,0,0,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.25,0,1.282407407,0,0,0,0.8125,0,0,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.31712963,0,1.282407407,0,0,0,0.8125,0,0,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.08333333,1.760416667,0.2,2.31712963,0,0.541666667,6.041141204,0.708333333,0.31712963,2.893518519,0.708333333,0.31712963,2.893518519,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.625,0.125,0.125,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.90646,1.23831,9.90646,0,0,3.50403,0.438,3.50403,0,0,0.40997,0.05125,0.40997,0.05125,0,7,0,0,0,0,0,0,1,0.89049164,1.36704393,2.215695144,3.093730583,2.91294444,2.266722945,23.15278265,35.54314217,57.60807374,80.43699516,75.73655544,58.93479657,0.189448582,0.290833201,0.471380398,0.658178972,0.619717434,0.482236361,3.809948078,3.333395788,2.484744574,1.606709135,1.787495278,2.433716773,0.191756937,0.294376887,0.477123979,0.66619862,0.627268443,0.488112218,6.648700044,12.36732752,16.43979251,17.32469861,15.15526489,7.400606951,31.72521615,23.58736256,18.78778503,18.85721203,17.77249518,12.18727095,8,2.52,2.222222222,8,0,5,2.34,1.2358,3.412787518,2.44179671,3.041821709,3.298769777,0,0.5,1,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.131,0.009,0.004,3.126,10,9,2,0,0,0,0,0,0,36,2.079441542,2.397895273,2.302585093,1.098612289,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,7,1,0,2,4,1,3.5,1.777777778,0.25,0,0,0,0,0,0,0,0.5,0.177777778,0.027777778,0,0,0,0,0,0,0,0.705555556,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,0,146.9243357,4,3.555348061,4.290459441,5.105945474,5.883322388,6.693323668,7.479299638,8.287780027,9.075779879,9.883743923,75.2550025,2.708050201,0,4.007333185,0,5.517452896,0,7.089243155,0,8.678461339,8.908829792,114.1408506,4.390032714,14.27167969,1.783959961,0,0,0,62,9,4.807,34,1.2278,2.115728773,2.94006452,3.495078547,3.960158296,5.352201744,0,0,0,0,71.2221278,87.331823,90.76614616,40.07092916,12.24973369,5.438179512,0,0,0,0,272.5498825,351.7650236,436.7934354,313.1323918,185.1399746,166.3664711,0,0,0,0,8.919363223,15.034845,20.91738018,24.34899754,26.90223475,35.95857474,0,0,0,0,2.081648384,2.816384767,3.703871043,3.107316383,2.256868643,2.379657965,0,0,0,0,176.77647,329.6995075,454.2860946,577.9659107,708.7214705,989.7165796,0,0,0,0,2.556545,3.529969946,5.379087259,5.544585645,4.701835477,5.352201744,0,0,0,0,0.4321989,0.591022767,0.783880527,0.675142421,0.50757499,0.548065459,0,0,0,0,361.8060994,156.7206893,8.626990043,122.9327786,-53.24982033,-7.258668605,238.8733209,209.9705096,15.88565865,0.746393813,0.32330951,0.01779719,0.253606187,-0.109852588,-0.014974389,175.3814827,75.96861108,4.181837474,59.59029715,-25.81225816,-3.518558875,0.069405412,0.149558028,1.037923558,7.506623699,484.738878,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,811.9535639,28.49479889,9.329185547,1.356712851,1.205835205,385.4692723,331.8864454,174.2415472,1.161449278,2.212269567,1.904749187,3.936296879,3.220218461,6.42424645,0.994972244,5.020209962,6.639714264,3.020041699,38.63538881,6.684528745,10.00785152,12.99570358,15.46305349,7.191345344,5.573905442,0.884220332,1.126710553,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327169,0.1713391,11.35274616,3.018364978,0.274203139,0.932381415,0.741530714,1.029052181,0.076364869,0.006228704,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639353744,0.607209483,15.32927936,3.285757868,1.257832565,2.816475944,2.720019041,1.522733019,0.504429204,0.064899514,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639672015,2.794133979,36.40181394,6.289944898,9.057060053,12.05261696,14.19867485,6.543754522,4.991800042,0.787825132,1.003878818,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.639387557,0.949655624,18.5318719,3.612118506,2.230938845,4.281553066,4.382974884,2.088528686,1.004374875,0.140967789,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.639891756,3.914964529,47.54495401,8.338680779,13.93117177,16.71981258,20.55679393,9.896033041,8.007983207,1.289548769,1.643201451,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.089828701,5.164751003,1.235249383,23.11181868,4.914117434,4.081148205,6.794334343,6.894160715,3.435649929,1.954321182,0.285322735,0.363564457,2.59E-15,3.56E-51,9.43E-109,4.82E-188,4.75E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.083265924,1.573102219,1.001985188,0.544905159,0.278014137,0.48053678,0.487599696,0.427589901,5.65835333,9.515904373,20.03417891,0.317357739,1.395726377,2.379156062,0.998022869,0.530265101,0.608877835,0.255415781,0.28582138,0.195520592,0.120825583,3.907444032,4.165252286,9.331785432,0.413316752,0.602167555,2.669323671,1.234971003,0.724803669,0.576640087,0.266784352,0.359942564,0.299817435,0.224854755,4.629098342,6.126384433,13.14482513,0.36496013,0.884614754,3.066858087,1.559697598,0.991004705,0.545941276,0.277646788,0.47542385,0.479280106,0.418346245,5.61756039,9.368309642,19.72621339,0.318911914,1.3730502,2.794081019,1.336868654,0.808380826,0.56568011,0.270657866,0.394448141,0.351573329,0.279260645,4.9393305,7.074699841,15.03359087,0.348520165,1.025282115,3.134319901,1.61481226,1.036148576,0.541774901,0.27912427,0.496621833,0.513950449,0.456987284,5.785280737,9.982144731,21.01172384,0.312662352,1.467559566,3.07439857,1.56374209,0.992437808,0.546018244,0.277723168,0.477846765,0.481975712,0.419390873,5.630578468,9.410632594,19.81242177,0.319027367,1.37921335 +UMLKV0047,L,"2,3,4-TRIMETHYLPENTANE",CC(C)C(C)C(C)C,C8H18,Paraffin (non-normal),Alkanes,565-75-3,2.730143604,PubChem,,0.6823,0,1.2792,1.63635264,37.0709,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1604.188161,1631.4554,1098.934372,339.341184,36.578304,0,0,3947.642614,5029.877407,7031.587075,8276.550291,7433.630806,4245.698526,1119.0148,0,0,181.25648,180.900988,339.464772,445.008032,563.450512,493.30944,241.864704,0,0,30.31423229,39.56609758,58.49435701,72.18430316,72.14804988,48.06648287,16.00606457,0,0,4342.872585,3643.766351,7589.85513,9976.611746,13474.03246,12550.98844,6657.035473,0,0,43.33333333,50.88888889,76.11111111,106.3333333,125,96,36,0,0,45.09238923,49.11105724,33.42058669,25.89611746,13.56709101,4.713072,1.016064,0,0,151.8324082,201.1950963,146.4913974,131.3738141,91.77321982,58.96803508,31.08374443,0,0,6.971403077,7.23603952,7.07218275,7.063619556,6.95617916,6.85152,6.718464,0,0,1.165932011,1.582643903,1.218632438,1.14578259,0.890716665,0.66759004,0.444612905,0,0,167.033561,145.7506541,158.1219819,158.3589166,166.3460797,174.3192839,184.917652,0,0,1.666666667,2.035555556,1.585648148,1.687830688,1.543209877,1.333333333,1,0,0,0.035356454,-0.008760398,0.003804151,-0.009513052,-0.015444237,-0.007079366,0.019314675,0,0,670.5194345,-58.02572029,75.2185263,-320.9323789,-375.3762646,-68.77122405,412.6273443,0,0,1246.859521,-107.9013047,139.8720616,-596.7874628,-698.0281931,-127.8830278,767.2981665,0,0,0.131350154,-0.01136684,0.014734793,-0.06286845,-0.073533633,-0.013471811,0.080830864,0,0,5.574042193,-0.482369036,0.625293195,-2.667917631,-3.1205108,-0.571696635,3.430179811,0,0,30.27828566,-2.620236259,3.396602558,-14.49217091,-16.95066419,-3.105465196,18.63279117,0,0,3.948717949,-2.318211703,1.12886259,-0.08086785,-0.917159763,-1.704142012,1.917159763,0,0,0.001359864,-3.50E-04,7.93E-05,-1.51E-04,-1.91E-04,-9.83E-05,5.37E-04,0,0,25.78920902,-2.321028812,1.567052631,-5.094164744,-4.634274872,-0.95515589,11.46187067,0,0,47.95613541,-4.316052187,2.914001283,-9.472816871,-8.617632014,-1.776153163,21.31383796,0,0,0.005051929,-4.55E-04,3.07E-04,-9.98E-04,-9.08E-04,-1.87E-04,0.002245302,0,0,0.214386238,-0.019294761,0.013026942,-0.042347899,-0.038524825,-0.007940231,0.095282773,0,0,1.164549448,-0.10480945,0.070762553,-0.230034459,-0.209267459,-0.043131461,0.517577533,0,0,0.151873767,-0.092728468,0.023517971,-0.001283617,-0.01132296,-0.023668639,0.053254438,0,0,-0.257684617,0.058280223,-0.111041158,-0.140212289,-0.072304702,0.394538657,0,0,-0.09,0.060763889,-0.197530864,-0.179698217,-0.037037037,0.444444444,0,0,-0.09,0.060763889,-0.197530864,-0.179698217,-0.037037037,0.444444444,0,0,-0.09,0.060763889,-0.197530864,-0.179698217,-0.037037037,0.444444444,0,0,-0.09,0.060763889,-0.197530864,-0.179698217,-0.037037037,0.444444444,0,0,-0.09,0.060763889,-0.197530864,-0.179698217,-0.037037037,0.444444444,0,0,-0.610562771,0.154852092,-0.008451866,-0.074555075,-0.155844156,0.350649351,0,0,1.79331324,0.958682833,1.257129627,1.145383691,0.863543717,0,0,0,1.625,1.128472222,1.36133157,1.114540466,0.752314815,0,0,0,1.625,1.128472222,1.36133157,1.114540466,0.752314815,0,0,0,1.625,1.128472222,1.36133157,1.114540466,0.752314815,0,0,0,1.625,1.128472222,1.36133157,1.114540466,0.752314815,0,0,0,1.625,1.128472222,1.36133157,1.114540466,0.752314815,0,0,0,2.222943723,0.64484127,1.105442177,1.14638448,1.055194805,0,0,0,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,47.4718515,23.57967575,35.53737955,47.2374765,5.904684562,23.57967575,-0.3125,3.33E-16,4.16E-17,-28.51055062,3000010.151,375001.2689,11.93130098,0,11.89,12.11011416,-0.163300419,0.057616875,6.064293842,8.899505149,7,25,25,25,7,0,0,0,0,0,19.677726,3.591951482,3.112599877,2.66223033,2.333552793,2.333552793,1.72757817,1.162837791,0.754694535,1.955119619,1.667247237,1.416069281,1.249629723,1.249629723,0.766521467,0.440344289,0.263051868,3.615591378,3.150713835,2.717732252,2.405454588,2.405454588,1.811000298,1.269690916,0.891155794,1.900329579,1.58857667,1.316029648,1.134540686,1.134540686,0.639289243,0.290000277,0.096175644,3.720996265,3.318028628,2.955102187,2.704236987,2.704236987,2.155018735,1.702702127,1.421438811,1.742324782,1.351217995,1.000891147,0.76031856,0.76031856,0.218931367,0.218324093,0.485265005,3.633084654,3.178805544,2.758321103,2.457539916,2.457539916,1.871324488,1.346550641,0.987848484,1.865714252,1.537907807,1.250496515,1.058262671,1.058262671,0.55445731,0.188893887,0.01719833,3.77319421,3.398793114,3.065768217,2.838982085,2.838982085,2.308177628,1.891182114,1.642628118,1.694062871,1.275766962,0.896165167,0.631337262,0.631337262,0.071596323,0.40108138,0.702635479,3.585679854,3.228626935,2.873197549,2.612600818,2.612600818,1.920880507,1.392442227,1.076301453,1.901729854,1.471882946,1.122645664,0.898315104,0.898315104,0.472596472,0.101567168,0.136150722,0,0,0,0,0,5,0,3,0,0,0,0,0,0,0,0,0,0,0,0.859116756,0,0.384900179,0,0.859116756,0,0.384900179,0,1.821367205,1.539600718,0.962250449,1.821367205,1.539600718,0.962250449,6.732050808,3.553418013,3.347150628,2.103133692,0.769800359,0,0,0,0.841506351,0.507631145,0.371905625,0.262891712,0.19245009,0,0,0,6.732050808,3.553418013,3.347150628,2.103133692,0.769800359,0,0,0,0.841506351,0.507631145,0.371905625,0.262891712,0.19245009,0,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,2.9345,38.84,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,43,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,11.44444444,0,0,0,0,0,2.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.282407407,0,0,0,0,0,0.842592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.314814815,0,0,0,0,0,0.87037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,1.75,0.2,2.314814815,0.2,0.842592593,6.030111111,0.490740741,0.314814815,2.888888889,0.490740741,0.314814815,2.888888889,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.625,0.375,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.55523,1.1944,9.55523,0,0,3.5534,0.44417,3.5534,0,0,0.3606,0.04508,0.3606,0.04508,0,7,0,0,0,0,0,0,1,0.89049164,1.184163641,1.740136375,1.77301149,1.902043713,1.574415253,23.15278265,30.78825467,45.24354576,46.09829873,49.45313654,40.93479657,0.189448582,0.251926141,0.370207147,0.377201197,0.404652294,0.334950632,3.809948078,3.516276077,2.960303343,2.927428228,2.798396005,3.126024465,0.191756937,0.254995761,0.374717972,0.381797243,0.40958282,0.339031871,6.648700044,10.17276405,11.8977875,11.12758867,11.59979807,6.153459083,31.72521615,26.80381852,26.16837625,27.36150411,22.46306766,17.79661485,8,3.111111111,2.8125,8,0,5,2.34,1.2358,3.221970075,0,8.480997324,0,0,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.139,0.124,0.01,-0.005,3.082,9,8,4,0,0,0,0,0,0,36,2.079441542,2.302585093,2.197224577,1.609437912,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,7,1,0,2,4,1,2.5,1.333333333,0.5,0,0,0,0,0,0,0,0.357142857,0.148148148,0.0625,0,0,0,0,0,0,0,0.567791005,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,0,146.9243357,4,3.496507561,4.204692619,4.976733742,5.713732806,6.487684018,7.229113878,8.004031508,8.746239288,9.521421538,73.38015696,2.708050201,0,3.931825633,0,5.332718793,0,6.801283034,0,8.297792626,8.554681636,114.1408506,4.390032714,14.33508904,1.79188613,0,0,0,65,8,4.709,32,1.2278,2.116269588,2.915232297,3.514234478,4.183463302,4.602106348,0,0,0,0,71.2221278,80.91086417,83.76920885,52.57707077,20.23817261,4.676034585,0,0,0,0,272.5498825,338.9957227,405.2777769,342.3104382,250.6217732,143.0506976,0,0,0,0,8.919363223,15.03189788,20.63719263,24.51392231,28.68184089,30.91908583,0,0,0,0,2.081648384,2.755510686,3.472185601,3.268709371,2.824274031,2.046155872,0,0,0,0,176.77647,329.9425416,458.4896421,579.3239784,727.7641558,851.0107003,0,0,0,0,2.542551111,3.495429444,5.046591668,5.593293361,5.624944824,4.602106348,0,0,0,0,0.4321989,0.579653059,0.736653075,0.706441499,0.6267345,0.47125569,0,0,0,0,374.0838362,163.4194675,8.966252161,105.4473283,-46.06493138,-6.117182888,268.6365079,209.4843989,15.08343505,0.780103284,0.340790087,0.018697955,0.219896716,-0.096062435,-0.012756591,179.3848576,78.36472757,4.299597341,50.56528016,-22.08957019,-2.933379834,0.06890302,0.142648544,1.012119214,6.814392482,479.5311646,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,795.6535896,28.2073322,9.266335254,1.229211372,1.011517918,455.1651294,307.5635354,187.0005608,1.479906026,2.434030826,1.644719856,4.043186758,3.22022378,6.424248771,0.99496967,5.020218391,6.682925857,3.075208294,30.0765073,6.811684238,3.739997043,10.36730004,22.56842953,7.993492681,6.855421146,1.605937463,1.126710556,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421311494,6.642958761,0.181761173,10.80093783,2.032005543,0.169641049,0.845166273,1.149881212,1.08390685,0.085428216,0.011311817,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.360045288,6.651073579,0.63703648,13.43827702,2.371957712,0.64255922,2.347647934,4.12185993,1.708023462,0.59858162,0.117869469,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.7386762,6.680463775,2.850195102,28.43755888,6.294192446,3.430904925,9.628283833,20.76192645,7.292333973,6.133633302,1.430862103,1.00387882,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.004456949,6.656657009,0.989753637,15.63389782,2.794071409,1.043175107,3.510052593,6.577720205,2.369921916,1.208794159,0.256025607,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.062642864,6.692059238,3.962693228,36.66585554,8.983061505,4.987201836,13.28075925,29.8194448,10.90539623,9.876831019,2.342105377,1.643201455,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.09636808,5.258962225,1.301760281,18.62681102,3.769539692,1.823588774,5.347271606,10.64121537,3.94758552,2.396269649,0.524392281,0.367905488,2.62E-15,3.60E-51,9.54E-109,4.88E-188,4.81E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.201630821,2.138835353,0.5775025,0.541001651,0.361413767,0.489947275,0.527787822,0.486640039,5.917968674,9.931893753,19.80446163,0.353623127,1.504375135,2.521880782,1.465779915,0.173071123,0.606114715,0.352288967,0.303987654,0.247746037,0.043959465,4.16073182,4.386671113,9.187164181,0.437605523,0.595693156,2.802046377,1.743168211,0.339779506,0.573602818,0.356841416,0.37528178,0.350468208,0.169000674,4.884994094,6.428808937,12.97343502,0.395666351,0.894750661,3.185793906,2.123152879,0.568081529,0.542075644,0.361263,0.485112199,0.520070339,0.470947896,5.877028313,9.779842108,19.4993327,0.355007965,1.476130434,2.922486837,1.862423109,0.411437443,0.562411752,0.358410046,0.408236629,0.400100005,0.247548071,5.19634739,7.411598135,14.84736127,0.381232697,1.055884705,3.250907452,2.187631819,0.606815509,0.537752964,0.361869882,0.505144994,0.552165008,0.537100221,6.04535478,10.41197856,20.77287695,0.349434269,1.594410223,3.193883018,2.130491979,0.568233896,0.542015103,0.361553264,0.487578843,0.523681574,0.471113904,5.892608893,9.830032499,19.58921289,0.355352551,1.482374321 +UMLKV0048,L,2-METHYLOCTANE,CCCCCCC(C)C,C9H20,Paraffin (non-normal),Alkanes,34464-40-9,2.871514863,PubChem,,0.6582,0,-0.2722,0.07409284,36.2647,29.17586,0,0,29,9,20,0,9,0,0,0,0,0,0,0,0,0,1318.698369,1396.254728,1555.76468,1331.921814,1077.763517,871.862212,675.105483,478.348754,160.526016,4433.327004,5682.867541,7494.87936,7604.131933,6375.170056,5088.618011,4081.819666,3075.021321,1843.095563,202.233924,202.676768,382.146848,503.031768,498.218036,374.86696,311.98206,249.09716,186.188544,33.9923581,44.5820862,64.16919859,70.15938231,61.12578116,48.10273616,39.0812073,30.05967844,20.03172529,4839.502245,4076.805803,8503.123504,11820.70741,12196.78175,9053.567731,7574.612576,6095.657421,4611.235353,45.02777778,53.66666667,84.41666667,105.1666667,95.91666667,74.66666667,62.33333333,51,39,45.47235755,49.86624029,28.81045704,18.49891408,14.96893774,16.14559652,15.00234407,13.28746539,5.945408,152.873345,202.9595551,138.7940622,105.6129435,88.54402856,94.23366687,90.70710369,85.41725893,68.26279863,6.973583586,7.238456,7.076793481,6.986552333,6.919694944,6.941980741,6.932934667,6.919365556,6.895872,1.172150279,1.592217364,1.188318492,0.974435865,0.848969183,0.89079141,0.868471273,0.834991068,0.741915752,166.8793878,145.6002072,157.4652501,164.1764919,169.3997466,167.6586617,168.3247239,169.3238172,170.7864946,1.552681992,1.916666667,1.563271605,1.460648148,1.332175926,1.382716049,1.385185185,1.416666667,1.444444444,0.040842681,-0.005562053,-0.0108376,-0.01173148,0.004907839,-1.09E-05,3.14E-04,0.001313691,-0.008367403,751.4441938,-57.58193056,-205.2795824,-237.5254636,92.27504372,-13.24384403,-13.81966333,-14.39548264,-136.0373109,1397.342566,-107.0760587,-381.7261493,-441.6887422,171.5893841,-24.6274935,-25.69825409,-26.76901468,-252.9671887,0.147202759,-0.011279905,-0.040212861,-0.046529608,0.018076048,-0.002594378,-0.002707177,-0.002819976,-0.026648775,6.246771423,-0.478679803,-1.706493496,-1.974554185,0.767084384,-0.110096355,-0.114883153,-0.119669951,-1.130881034,33.93256151,-2.600196285,-9.269699755,-10.72580967,4.166814546,-0.598045145,-0.624047108,-0.650049071,-6.142963722,3.187739464,-1.2272427,0.170531114,-1.155766944,0.404577883,0.029726516,-0.064308363,0.841656758,-1.321343639,0.001408368,-1.99E-04,-2.01E-04,-1.63E-04,6.82E-05,-2.02E-07,6.99E-06,3.65E-05,-3.10E-04,25.91186875,-2.05649752,-3.801473749,-3.298964772,1.281597829,-0.245256371,-0.30710363,-0.399874518,-5.038418924,48.18422642,-3.824144954,-7.069002765,-6.134565864,2.38318589,-0.456064695,-0.571072313,-0.743583741,-9.369155137,0.005075957,-4.03E-04,-7.45E-04,-6.46E-04,2.51E-04,-4.80E-05,-6.02E-05,-7.83E-05,-9.87E-04,0.215405911,-0.017095707,-0.031601731,-0.027424364,0.01065395,-0.002038821,-0.002552959,-0.003324165,-0.041884483,1.170088328,-0.092864153,-0.171661107,-0.148969579,0.057872424,-0.01107491,-0.013867714,-0.018056919,-0.227517175,0.10992205,-0.043830096,0.003157984,-0.016052319,0.005619137,5.50E-04,-0.001429075,0.023379354,-0.048938653,-0.141046027,-0.142502704,-0.115692192,0.048399572,-1.43E-04,0.004960995,0.025910421,-0.220044584,-0.079365079,-0.146707819,-0.127314815,0.049459877,-0.009465021,-0.011851852,-0.015432099,-0.194444444,-0.079365079,-0.146707819,-0.127314815,0.049459877,-0.009465021,-0.011851852,-0.015432099,-0.194444444,-0.079365079,-0.146707819,-0.127314815,0.049459877,-0.009465021,-0.011851852,-0.015432099,-0.194444444,-0.079365079,-0.146707819,-0.127314815,0.049459877,-0.009465021,-0.011851852,-0.015432099,-0.194444444,-0.079365079,-0.146707819,-0.127314815,0.049459877,-0.009465021,-0.011851852,-0.015432099,-0.194444444,-0.398737981,0.0287293,-0.146033654,0.051119291,0.005008013,-0.013000801,0.212690304,-0.44521234,1.672538806,1.263643703,1.123110462,0.801562954,0.910654444,0.897794338,0.87864457,1.153630609,1.611111111,1.336625514,1.127777778,0.814506173,0.918930041,0.902222222,0.877160494,1.002469136,1.611111111,1.336625514,1.127777778,0.814506173,0.918930041,0.902222222,0.877160494,1.002469136,1.611111111,1.336625514,1.127777778,0.814506173,0.918930041,0.902222222,0.877160494,1.002469136,1.611111111,1.336625514,1.127777778,0.814506173,0.918930041,0.902222222,0.877160494,1.002469136,1.611111111,1.336625514,1.127777778,0.814506173,0.918930041,0.902222222,0.877160494,1.002469136,2.004206731,0.867521368,1.128455529,0.701472356,0.853966346,0.943429487,0.833633814,1.951923077,52.54444952,26.27222476,41.81111968,52.54444952,5.838272169,26.27222476,-2.49E-14,0.068226739,0.007580749,-2.41642685,44.11417306,4.901574784,3.408103004,52.54444952,26.27222476,41.81111968,52.54444952,5.838272169,26.27222476,-2.49E-14,0.068226739,0.007580749,-2.41642685,44.11417306,4.901574784,3.408103004,52.54444952,26.27222476,41.81111968,52.54444952,5.838272169,26.27222476,-2.49E-14,0.068226739,0.007580749,-2.41642685,44.11417306,4.901574784,3.408103004,52.54444952,26.27222476,41.81111968,52.54444952,5.838272169,26.27222476,-2.49E-14,0.068226739,0.007580749,-2.41642685,44.11417306,4.901574784,3.408103004,52.54444952,26.27222476,41.81111968,52.54444952,5.838272169,26.27222476,-2.49E-14,0.068226739,0.007580749,-2.41642685,44.11417306,4.901574784,3.408103004,52.54444952,26.27222476,41.81111968,52.54444952,5.838272169,26.27222476,-2.49E-14,0.068226739,0.007580749,-2.41642685,44.11417306,4.901574784,3.408103004,62.1028194,30.95032945,49.80803009,61.94558346,6.882842606,30.95032945,-0.202160494,0.050428108,0.005603123,-2.688485904,48.18378521,5.353753912,3.487520302,0,11.89,12.11013444,-0.164721707,0.056010915,5.126993859,7.609205225,8,28,28,28,8,0,0,0,0,0,21.86414,3.523755889,3.306114892,2.913621823,2.409669483,2.333552793,1.887873933,1.450282453,1.164870856,1.933583217,1.789794413,1.534812309,1.249629723,1.212592071,0.900786692,0.668070284,0.533561105,3.551598142,3.33919659,2.957374435,2.468919887,2.405454588,1.966955647,1.551447297,1.284865609,1.874004886,1.720338931,1.448783967,1.134540686,1.106756189,0.774220295,0.523800904,0.378062372,3.673665102,3.484205578,3.147695564,2.722604132,2.704236987,2.297884518,1.962609659,1.758787815,1.697959569,1.513006044,1.185081611,0.771499718,0.76031856,0.360135425,0.037838371,0.156596223,3.572090956,3.363553786,2.989533878,2.512284693,2.457539916,2.02443805,1.624276819,1.370369046,1.835997447,1.675823251,1.393024423,1.058262671,1.037259729,0.690100054,0.42691224,0.272900093,3.732888115,3.554349567,3.238451947,2.840716008,2.838982085,2.447412355,2.142276005,1.95995877,1.64279397,1.447567282,1.099909197,0.659629238,0.631337262,0.216970523,0.136136893,0.353186306,3.568408087,3.404795736,3.064778163,2.668530351,2.596534855,2.11017465,1.722907401,1.48869908,1.82689582,1.620201818,1.294537548,0.919958909,0.848305632,0.566850741,0.291938455,0.123763259,0,0,0,0,0,3,5,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.144337567,0.288675135,0.204124145,0.144337567,7.112884175,4.27005561,3.243182156,1.635027805,0.979362553,0.567513903,0.306186218,0.204124145,0.790320464,0.533756951,0.40539777,0.272504634,0.195872511,0.141878476,0.102062073,0.102062073,7.112884175,4.27005561,3.243182156,1.635027805,0.979362553,0.567513903,0.306186218,0.204124145,0.790320464,0.533756951,0.40539777,0.272504634,0.195872511,0.141878476,0.102062073,0.102062073,14.41827804,27.87836854,26.25490196,26.6,16.98554491,223.5398563,0.497182001,0.961323053,0.905341447,0.917241379,0.585708445,7.708270906,3.6128,43.597,26.27222476,41.81111968,52.54444952,5.838272169,26.27222476,0.068226739,0.007580749,-2.41642685,44.11417306,4.901574784,3.408103004,87,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,3,0,5,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,6.854430272,0,7.074406652,0,0,0,0.90449641,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.259299887,0,1.359221466,0,0,0,0.90449641,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.297565193,0,1.439166667,0,0,0,0.90449641,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.83333333,1.648148148,0.2,2.297565193,0.2,0.90449641,6.755388858,0.428836924,0.297565193,1.708860544,0.428836924,0.297565193,1.708860544,4.5,0.5,0,0,0.42414,0.7,0.42414,0.42414,0.7,0,0,0,0,0.71429,0,0,0.33333,0.11111,0,4,0.44444,4,0.44444,0,0,-4,-0.44444,0,0,9.8423,1.09359,9.8423,0,0,4.27005,0.47445,4.27005,0,0,0.14395,0.01599,0.14395,0.01599,0,8,0,0,0,0,0,0,1,0.893571102,1.313046862,2.495791565,3.158525391,2.611041014,1.978333581,25.91356195,38.07835898,72.37795539,91.59723634,75.7201894,57.37167385,0.183938781,0.270286537,0.513750788,0.650172447,0.537474522,0.407233701,3.964409893,3.544934134,2.36218943,1.699455604,2.246939981,2.879647414,0.185875833,0.273132915,0.519161078,0.657019388,0.543134646,0.411522264,6.65913786,11.69284698,16.52728978,16.15099554,11.7551083,12.6873256,35.68332321,27.61103379,23.48696183,23.0953787,31.31776065,28.58353915,9,6.125,8,9,0,8,2.45,1.3767,0.650697637,4.534208741,1.650963624,0,5.676240019,1.919259748,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,4.037,8,6,5,4,3,2,0,0,0,45,2.197224577,2.197224577,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,3.828641396,1,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.625,8,1,1,4,7,0.75,1.5,0.444444444,0.25,0.16,0.111111111,0.081632653,0,0,0,0,0.1875,0.055555556,0.041666667,0.032,0.027777778,0.027210884,0,0,0,0,0.371710884,26.27222476,41.81111968,52.54444952,5.838272169,26.27222476,0.068226739,0.007580749,-2.41642685,44.11417306,4.901574784,3.408103004,0,164.2203203,4.169925001,3.496507561,4.110873864,4.795790546,5.433722004,6.124683391,6.771935556,7.463363046,8.115221973,8.805824813,72.11792275,2.833213344,0,3.891820298,0,5.081404365,0,6.329720906,0,7.609366538,7.940939762,128.1565006,4.419189677,16.66375611,1.851528457,0,0,0,114,6,5.4,32,1.230142857,2.122427995,2.870553819,3.535582871,4.709707375,5.757518295,6.880801327,7.947385263,8.755551182,0,72.40063676,69.14254315,62.59202933,67.64404051,91.40987837,101.8578729,103.9628813,49.83350216,8.896200356,0,275.5059647,317.7143833,328.3342156,361.7201067,493.4598151,574.3487696,632.5472673,561.9931724,272.1553153,0,8.939719117,15.07362795,20.10449746,24.60215352,32.83040723,40.06636669,47.74865416,54.89711611,58.82385542,0,2.098837641,2.664233079,2.944867928,3.318804009,4.51590525,5.342252499,6.046335798,6.052081705,3.892831045,0,176.9060838,330.3331186,467.8528838,588.6811698,779.5220775,957.8865473,1154.633095,1349.90112,1619.055967,0,2.416345238,3.423123269,4.289600535,4.939670817,6.758163871,8.255538438,10.07645201,11.71245241,8.755551182,0,0.435567857,0.563109719,0.630389835,0.71393354,0.970614728,1.151339114,1.308976462,1.33188549,0.896568441,0,445.3610758,223.1429202,10.94267109,166.206123,-83.27561983,-9.956980692,279.1549528,306.41854,20.89965178,0.728229174,0.364870648,0.017892835,0.271770826,-0.136167571,-0.01628109,272.3682255,136.4668906,6.692178704,101.646213,-50.92863754,-6.089362789,0.058653044,0.130061682,0.884912369,8.638638664,611.5671987,0,1,0,496.6525532,22.28570289,7.919253116,690.3932748,26.27533586,8.838234442,809.0251599,28.44336759,9.317956443,2.250662738,2.250662738,1163.688421,1112.654908,95.47808457,1.045866434,12.18801598,11.65351099,4.942345038,5.645455692,10.06558281,0.782953115,5.578011069,7.588228342,3.19650731,29.51400654,11.29587206,3.22838173,6.046418569,11.66549825,14.11441484,3.579326474,3.157557462,13.42055718,5.989406165,6.533286632,3.241299348,2.825235395,0.859736502,1.171323774,2.008139858,1.27E-08,2.41E-38,8.76E-90,6.16E-163,8.34E-258,0,0,0,0,0,0,0.468123816,7.587802348,0.206695496,8.359024562,0.579262192,0.090477159,0.683735757,0.51731766,4.284970858,0.146450927,0.029476785,1.121455029,0.265026496,2.282019576,0.130658382,0.13639454,0.007870271,0.057072599,0.014143493,8.97E-11,1.69E-40,6.17E-92,4.34E-165,5.88E-260,0,0,0,0,0,0,1.511160743,7.587831601,0.707805329,10.32867567,1.306555725,0.410854585,1.595187974,1.933970181,5.686870786,0.573969073,0.248363286,2.730196885,1.012114274,2.998302483,0.514927656,0.503345408,0.064794504,0.211403933,0.147386104,9.35E-10,1.77E-39,6.43E-91,4.52E-164,6.12E-259,0,0,0,0,0,0,5.265187433,7.588181851,2.974850852,27.38808098,10.12324026,2.923028021,5.653313947,10.67915406,13.29881155,3.272517435,2.817610434,12.34859963,5.489893404,6.219434494,2.962186259,2.596276688,0.76620935,1.077245836,1.78921646,1.13E-08,2.14E-38,7.81E-90,5.49E-163,7.43E-258,0,0,0,0,0,0,2.227172895,7.587868816,1.084217688,12.37810709,2.239382061,0.725838589,2.275262966,3.161491469,6.828719447,0.948567079,0.523216303,4.102301054,1.650083102,3.534989156,0.85314821,0.809255215,0.138598999,0.339055751,0.320142313,2.03E-09,3.84E-39,1.40E-90,9.82E-164,1.33E-258,0,0,0,0,0,0,6.73625619,7.588423658,4.06105415,38.32870018,16.2241247,4.487559846,7.575489282,15.66249766,17.37703934,4.825042038,4.58478004,17.75175143,8.00813526,7.756190223,4.375421098,3.746030793,1.253005372,1.549018984,2.928683254,1.86E-08,3.51E-38,1.28E-89,8.98E-163,1.22E-257,0,0,0,0,0,0,3.525111452,6.750723892,1.620970556,17.00993637,4.546441301,1.505647262,3.316361479,5.437844817,8.986090419,1.712457107,1.17758878,7.047204477,2.932403853,4.949374217,1.443312404,1.590461508,0.318520252,0.664991134,0.739267242,4.69E-09,8.86E-39,3.23E-90,2.27E-163,3.07E-258,0,0,0,0,0,0,9.578803765,1.075534498,0.583067225,0.8524035,0.095710215,0.567408262,0.45401813,0.421693761,11.23740549,16.51452934,33.75888807,0.778605249,1.443120153,8.508688635,0.572155382,0.173558307,0.919420654,0.061825212,0.44802213,0.129040678,0.037679051,9.254402324,6.444347913,16.54368276,0.879130981,0.614741859,8.947906115,0.778840688,0.341790427,0.88869971,0.077353907,0.495309604,0.238694147,0.145688561,10.06853723,10.2935023,22.74397474,0.833049565,0.879692312,9.55369896,1.063732484,0.573474041,0.853702051,0.095053299,0.564445215,0.444154903,0.408027084,11.19090549,16.25140124,33.2702825,0.780553076,1.416627202,9.137514173,0.868031122,0.414347052,0.876929806,0.083305191,0.516460405,0.29626617,0.213785936,10.41989235,12.07741488,25.78376165,0.815394709,1.02651251,9.65697043,1.112279325,0.6129328,0.848428707,0.097721093,0.576683999,0.485413196,0.465656668,11.38218255,17.34207496,35.30792106,0.772643061,1.527753863,9.586181212,1.067365104,0.574569303,0.853765809,0.09506182,0.568277997,0.447030373,0.40908376,11.22811562,16.35315599,33.46023904,0.780648713,1.42439213 +UMLKV0049,L,3-METHYLOCTANE,CCCCCC(C)CC,C9H20,Paraffin (non-normal),Alkanes,2216-33-3,2.871161673,PubChem,,0.6514,0,-0.6604,0.43612816,36.4309,29.17586,0,0,29,9,20,0,9,0,0,0,0,0,0,0,0,0,1318.698369,1396.254728,1555.76468,1452.987823,1144.309661,881.006788,675.105483,357.282745,93.979872,4433.327004,5682.867541,7494.87936,7829.259346,6877.087288,5368.371711,4081.819666,2849.893908,1341.178331,202.233924,202.676768,382.146848,503.055484,500.613044,435.333136,311.98206,249.073444,183.793536,33.9923581,44.5820862,64.16919859,71.16580659,65.13936959,52.1042523,39.0812073,29.05325415,16.01813686,4839.502245,4076.805803,8503.123504,11826.17433,12006.01113,10717.8266,7574.612576,6090.190508,4802.005979,45.02777778,53.75,83.75,104.1666667,101.9166667,83.58333333,63,52,33,45.47235755,49.86624029,28.81045704,20.18038643,15.89318974,13.98423473,15.00234407,9.924520694,3.480736,152.873345,202.9595551,138.7940622,108.7397131,95.51510122,85.21224938,90.70710369,79.16371966,49.67327153,6.973583586,7.238456,7.076793481,6.986881722,6.952958944,6.910049778,6.932934667,6.918706778,6.807168,1.172150279,1.592217364,1.188318492,0.98841398,0.904713467,0.827051624,0.868471273,0.807034838,0.593264328,166.8793878,145.6002072,157.4652501,164.2524212,166.7501546,170.1242317,168.3247239,169.1719586,177.8520733,1.552681992,1.919642857,1.550925926,1.446759259,1.415509259,1.326719577,1.4,1.444444444,1.222222222,0.040869391,-0.00584965,-0.012102903,-0.003604621,-0.006533699,0.005115471,0.001582759,-0.006828067,0.003057768,751.4441938,-57.58193056,-205.2795824,-116.4594546,-133.1582144,91.69922441,-13.81966333,-135.4614916,89.39594719,1397.342566,-107.0760587,-381.7261493,-216.5613287,-247.6133858,170.5186235,-25.69825409,-251.8964281,166.2355811,0.147202759,-0.011279905,-0.040212861,-0.022813608,-0.02608478,0.017963249,-0.002707177,-0.026535976,0.017512052,6.246771423,-0.478679803,-1.706493496,-0.968129901,-1.106947043,0.762297586,-0.114883153,-1.126094235,0.743150393,33.93256151,-2.600196285,-9.269699755,-5.258896986,-6.012953908,4.140812583,-0.624047108,-6.11696176,4.036804732,3.187739464,-1.143909367,-0.496135553,0.246531906,-0.802318668,0.310543004,0.602358304,-0.560642093,-0.114447087,0.001409289,-2.09E-04,-2.24E-04,-5.01E-05,-9.07E-05,8.12E-05,3.52E-05,-1.90E-04,1.13E-04,25.91186875,-2.05649752,-3.801473749,-1.617492424,-1.849419645,1.455543245,-0.30710363,-3.762819212,3.310961007,48.18422642,-3.824144954,-7.069002765,-3.007796233,-3.439074802,2.706644817,-0.571072313,-6.997123003,6.156873376,0.005075957,-4.03E-04,-7.45E-04,-3.17E-04,-3.62E-04,2.85E-04,-6.02E-05,-7.37E-04,6.49E-04,0.215405911,-0.017095707,-0.031601731,-0.013446249,-0.015374264,0.012099962,-0.002552959,-0.031280395,0.027524089,1.170088328,-0.092864153,-0.171661107,-0.073040236,-0.083513249,0.065727184,-0.013867714,-0.169915604,0.149511286,0.10992205,-0.040853906,-0.009187695,0.003424054,-0.011143315,0.004929254,0.01338574,-0.015573391,-0.004238781,-0.148242143,-0.159036067,-0.03552442,-0.064391194,0.057616239,0.024957564,-0.134584526,0.080360125,-0.079365079,-0.146707819,-0.06242284,-0.071373457,0.05617284,-0.011851852,-0.145216049,0.127777778,-0.079365079,-0.146707819,-0.06242284,-0.071373457,0.05617284,-0.011851852,-0.145216049,0.127777778,-0.079365079,-0.146707819,-0.06242284,-0.071373457,0.05617284,-0.011851852,-0.145216049,0.127777778,-0.079365079,-0.146707819,-0.06242284,-0.071373457,0.05617284,-0.011851852,-0.145216049,0.127777778,-0.079365079,-0.146707819,-0.06242284,-0.071373457,0.05617284,-0.011851852,-0.145216049,0.127777778,-0.371662517,-0.083583734,0.03114984,-0.1013747,0.044843178,0.12177484,-0.141676683,-0.038561699,1.680409699,1.270527871,1.016523219,1.011700917,0.777517894,0.891056981,1.090940864,0.59084529,1.611111111,1.336625514,1.065123457,1.002469136,0.787654321,0.902222222,1.002469136,0.501234568,1.611111111,1.336625514,1.065123457,1.002469136,0.787654321,0.902222222,1.002469136,0.501234568,1.611111111,1.336625514,1.065123457,1.002469136,0.787654321,0.902222222,1.002469136,0.501234568,1.611111111,1.336625514,1.065123457,1.002469136,0.787654321,0.902222222,1.002469136,0.501234568,1.611111111,1.336625514,1.065123457,1.002469136,0.787654321,0.902222222,1.002469136,0.501234568,1.978064904,0.975961538,0.84380008,1.067457933,0.743589744,0.813301282,1.402944712,0.975961538,50.82382038,25.41191019,39.68761279,50.82382038,5.647091153,25.41191019,1.07E-14,0.089797579,0.009977509,-2.16917754,37.38194553,4.153549503,3.259069063,50.82382038,25.41191019,39.68761279,50.82382038,5.647091153,25.41191019,1.07E-14,0.089797579,0.009977509,-2.16917754,37.38194553,4.153549503,3.259069063,50.82382038,25.41191019,39.68761279,50.82382038,5.647091153,25.41191019,1.07E-14,0.089797579,0.009977509,-2.16917754,37.38194553,4.153549503,3.259069063,50.82382038,25.41191019,39.68761279,50.82382038,5.647091153,25.41191019,1.07E-14,0.089797579,0.009977509,-2.16917754,37.38194553,4.153549503,3.259069063,50.82382038,25.41191019,39.68761279,50.82382038,5.647091153,25.41191019,1.07E-14,0.089797579,0.009977509,-2.16917754,37.38194553,4.153549503,3.259069063,50.82382038,25.41191019,39.68761279,50.82382038,5.647091153,25.41191019,1.07E-14,0.089797579,0.009977509,-2.16917754,37.38194553,4.153549503,3.259069063,60.65336027,30.22559989,47.83966636,60.49612433,6.721791592,30.22559989,-0.202160494,0.065715,0.007301667,-2.450185259,38.61870871,4.290967634,3.288363157,0,11.89,12.11013444,-0.169148049,0.051314115,5.146641076,8.19216377,8,28,28,28,8,0,0,0,0,0,21.86414,3.539801524,3.280002174,2.858084109,2.629550028,2.181841948,1.800351987,1.543205878,1.197570936,1.93948242,1.775366855,1.512510087,1.386568415,1.085467764,0.867907452,0.724285797,0.550344059,3.566742189,3.31403623,2.904749225,2.685443016,2.250967241,1.885940488,1.640683277,1.315688387,1.880974061,1.704548658,1.422872542,1.286373244,0.970089043,0.737179486,0.583421857,0.396100535,3.685222408,3.46297834,3.1067325,2.924203206,2.542372679,2.239295811,2.037895911,1.783127728,1.708875288,1.492508383,1.14620989,0.970208079,0.597680656,0.30499585,0.110791854,0.133254612,3.586590903,3.3390825,2.938996333,2.726301934,2.301310531,1.947858033,1.710909109,1.399909962,1.843716973,1.659103592,1.364621029,1.220693184,0.893798465,0.649979003,0.48895687,0.291854874,3.742923399,3.534867441,3.202452561,3.035362201,2.675517212,2.396753207,2.212111654,1.98200061,1.655201259,1.425386255,1.056177035,0.864963455,0.470734685,0.15355986,0.057679701,0.32745228,3.575200557,3.380530919,3.039793464,2.870727546,2.40553093,2.061006003,1.810909994,1.516383282,1.840051488,1.604045057,1.25143315,1.058976377,0.759180789,0.505525012,0.353544529,0.144208979,0,0,0,0,0,3,5,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.49279928,0.348461713,0.24639964,0.49279928,0.348461713,0.24639964,7.112884175,4.308060412,3.009201922,1.997400241,0.946923425,0.535074775,0.348461713,0.102062073,0.790320464,0.538507552,0.37615024,0.285342892,0.189384685,0.133768694,0.116153904,0.102062073,7.112884175,4.308060412,3.009201922,1.997400241,0.946923425,0.535074775,0.348461713,0.102062073,0.790320464,0.538507552,0.37615024,0.285342892,0.189384685,0.133768694,0.116153904,0.102062073,14.41827804,27.87836854,26.25490196,26.6,16.98554491,223.5398563,0.497182001,0.961323053,0.905341447,0.917241379,0.585708445,7.708270906,3.6128,43.597,25.41191019,39.68761279,50.82382038,5.647091153,25.41191019,0.089797579,0.009977509,-2.16917754,37.38194553,4.153549503,3.259069063,85,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,3,0,5,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,6.877861867,0,7.000332577,0,0,0,0.955138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.260528156,0,1.350907029,0,0,0,0.955138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.342916667,0,1.436018519,0,0,0,0.955138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.83333333,1.648148148,0.2,2.342916667,0.2,0.955138889,6.751330657,0.378194444,0.342916667,1.755723734,0.378194444,0.342916667,1.755723734,4.5,0.5,0,0,0.42414,0.7,0.42414,0.42414,0.7,0,0,0,0,0.71429,0,0,0.33333,0.11111,0,4,0.44444,4,0.44444,0,0,-4,-0.44444,0,0,9.9223,1.10248,9.9223,0,0,4.30805,0.47867,4.30805,0,0,0.10595,0.01177,0.10595,0.01177,0,8,0,0,0,0,0,0,1,0.893571102,1.313046862,2.495791565,3.253521512,3.151638117,2.595579599,25.91356195,38.07835898,72.37795539,94.35212385,91.3975054,75.27180838,0.183938781,0.270286537,0.513750788,0.669727098,0.648754724,0.534291839,3.964409893,3.544934134,2.36218943,1.604459483,1.706342878,2.262401396,0.185875833,0.273132915,0.519161078,0.676779968,0.655586735,0.539918446,6.65913786,11.69284698,16.52728978,17.29094899,14.91402526,14.02962956,35.68332321,27.61103379,23.48696183,21.19870391,25.03399214,27.58554021,9,6.125,5.87755102,9,0,8,2.45,1.3767,0.598408481,5.047769441,1.39247665,0,4.832409738,2.648059603,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,4.037,8,7,5,4,3,1,0,0,0,45,2.197224577,2.197224577,2.079441542,1.791759469,1.609437912,1.386294361,0.693147181,0,0,0,3.828641396,1,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.625,8,1,1,4,7,0.75,1.5,0.666666667,0.25,0.16,0.111111111,0.040816327,0,0,0,0,0.1875,0.083333333,0.035714286,0.032,0.027777778,0.013605442,0,0,0,0,0.379930839,25.41191019,39.68761279,50.82382038,5.647091153,25.41191019,0.089797579,0.009977509,-2.16917754,37.38194553,4.153549503,3.259069063,0,164.2203203,4.169925001,3.496507561,4.143134726,4.828313737,5.501258211,6.196444128,6.876264612,7.5750717,8.257126286,8.957381736,72.8315027,2.833213344,0,3.891820298,0,5.117993812,0,6.411818268,0,7.739359203,8.053251154,128.1565006,4.419189677,16.65751855,1.850835395,0,0,0,110,7,5.4,32,1.230142857,2.122427995,2.870091576,3.550276416,4.538161863,5.757518295,6.881100539,7.903574836,9.473632882,0,72.40063676,69.14254315,67.56234034,70.65104282,78.86064654,101.8578729,78.22617484,30.48669906,9.625817321,0,275.5059647,317.7143833,337.9444951,384.7442283,438.546899,574.3487696,583.9679798,415.0459139,294.4759833,0,8.939719117,15.07362795,20.10476712,24.80855683,31.50811235,40.06636669,47.74102772,53.90808439,63.64826147,0,2.098837641,2.664233079,2.98947334,3.50579742,4.093646962,5.342252499,5.825841205,4.868426728,4.212099435,0,176.9060838,330.3331186,467.7965074,582.820765,760.8554203,957.8865473,1153.900038,1397.134481,1751.841949,0,2.420877976,3.388321916,4.253717885,5.224138616,6.285675572,8.358968555,10.24310793,9.928289704,9.473632882,0,0.435567857,0.563109719,0.638664101,0.752559096,0.883285511,1.151339114,1.268303261,1.087926829,0.970100007,0,441.0251543,220.7789633,10.82322121,149.2552998,-74.71780247,-9.035181071,291.7698545,295.4967658,19.85840228,0.747145109,0.374023842,0.018335727,0.252854891,-0.126580174,-0.01530659,260.3285284,130.3215067,6.38873593,88.10248616,-44.10445837,-5.333290785,0.059181394,0.130174493,0.782909763,8.474191347,590.2804541,0,1,0,496.6525532,22.28570289,7.919253116,690.3932748,26.27533586,8.838234442,823.4733838,28.69622595,9.37309867,2.467727364,2.467727364,1085.299984,1039.446369,92.65429419,1.044113497,11.71343426,11.218545,4.806022697,5.645455692,10.06558281,0.782953115,5.578011069,7.588220348,3.116138075,32.02403618,11.78966045,5.557634459,7.005010939,11.66564838,14.71016636,3.579239177,3.888252392,12.00694683,5.272996139,7.966716196,2.987361404,1.108920508,0.142773617,0.63522528,2.008139858,1.27E-08,2.41E-38,8.76E-90,6.16E-163,8.34E-258,0,0,0,0,0,0,0.468123816,7.587802292,0.206129446,8.494366334,1.074437792,0.171986394,0.771179374,0.517318717,4.289166785,0.146450312,0.034623129,1.11488613,0.254433324,2.092286319,0.116362286,0.060922399,0.002820634,0.053296814,0.014143493,8.97E-11,1.69E-40,6.17E-92,4.34E-165,5.88E-260,0,0,0,0,0,0,1.511160743,7.587831015,0.701906674,10.8151977,1.799729036,0.749073627,1.872857028,1.9339812,5.730595578,0.573962665,0.30199216,2.635148445,0.945281391,3.023532949,0.464156221,0.214531864,0.012173464,0.172057337,0.147386104,9.35E-10,1.77E-39,6.43E-91,4.52E-164,6.12E-259,0,0,0,0,0,0,5.265187433,7.588174728,2.903243308,29.70549042,10.6165054,5.043178313,6.562963836,10.67928783,13.82961543,3.272439655,3.468646462,11.0914306,4.847765229,7.51233144,2.727320115,1.023427385,0.127408321,0.599591729,1.78921646,1.13E-08,2.14E-38,7.81E-90,5.49E-163,7.43E-258,0,0,0,0,0,0,2.227172895,7.587867541,1.071405029,13.14535538,2.731691308,1.300289299,2.679832397,3.161515403,6.923695537,0.948553162,0.639705383,3.887507841,1.518564117,3.7423347,0.773643705,0.337887023,0.024299088,0.253589686,0.320142313,2.03E-09,3.84E-39,1.40E-90,9.82E-164,1.33E-258,0,0,0,0,0,0,6.73625619,7.588411999,3.943843185,41.60555713,16.72054096,7.672204473,8.710310683,15.66271661,18.24588695,4.824914723,5.650429925,15.67908525,6.981412769,9.756687163,4.04587175,1.449687839,0.207382411,0.767169714,2.928683254,1.86E-08,3.51E-38,1.28E-89,8.98E-163,1.22E-257,0,0,0,0,0,0,3.525111452,6.779818208,1.613736546,17.90008307,5.266972058,2.674679222,4.05564296,5.437900086,9.205407606,1.712432969,1.452198432,6.682261221,2.651677694,5.775088207,1.327975344,0.655114818,0.054580841,0.467634334,0.739267242,4.69E-09,8.86E-39,3.23E-90,2.27E-163,3.07E-258,0,0,0,0,0,0,9.039449991,1.026676218,0.597611308,0.847681217,0.096277334,0.535586188,0.436070569,0.439420916,10.66373752,15.29621918,31.50614122,0.771521825,1.411077672,7.928044638,0.540963649,0.182702746,0.916355691,0.062526782,0.411938871,0.120096644,0.041031707,8.651711032,5.836095022,15.27137866,0.874533536,0.573067222,8.384167013,0.740537699,0.35305694,0.884614672,0.07813424,0.460704513,0.225912346,0.153309928,9.477761652,9.430332075,21.10015074,0.826922008,0.839926787,9.013372746,1.01530125,0.587882941,0.848992079,0.095633759,0.532497484,0.426399426,0.425228009,10.61655694,15.04697498,31.04341839,0.773488118,1.38412492,8.581091777,0.826595878,0.426571563,0.872571242,0.084052684,0.482609766,0.28186847,0.223838338,9.834259218,11.10614712,23.96611899,0.808856863,0.988316575,9.120645497,1.062087866,0.627900184,0.843673542,0.098244739,0.545261108,0.466876271,0.485100798,10.81063355,16.08066706,32.9737238,0.765510313,1.497238178,9.044202093,1.018031514,0.58916125,0.849109644,0.095577296,0.536153232,0.428597103,0.426531157,10.65139486,15.13556088,31.21152995,0.773664466,1.391281492 +UMLKV0050,L,4-METHYLOCTANE,CCCCC(C)CCC,C9H20,Paraffin (non-normal),Alkanes,2216-34-4,2.871020362,PubChem,,0.6518,0,-0.1168,0.01364224,37.9711,29.17586,0,0,29,9,20,0,9,0,0,0,0,0,0,0,0,0,1318.698369,1396.254728,1555.76468,1452.987823,1265.37567,947.552932,563.18405,290.736601,84.835296,4433.327004,5682.867541,7494.87936,7829.259346,7102.214701,5870.288943,4136.445953,2347.976676,1061.424631,202.233924,202.676768,382.146848,503.055484,500.63676,437.728144,372.42452,246.678436,123.32736,33.9923581,44.5820862,64.16919859,71.16580659,66.14579387,56.11784073,42.07629916,25.03966572,12.01662072,4839.502245,4076.805803,8503.123504,11826.17433,12011.47804,10527.05597,9233.404531,6280.961134,3137.747111,45.02777778,53.75,83.83333333,103.5,100.8333333,90.25,73,46,24,45.47235755,49.86624029,28.81045704,20.18038643,17.57466208,15.04052273,10.42933426,8.076016694,4.713072,152.873345,202.9595551,138.7940622,108.7397131,98.64187085,93.17918957,76.60085098,65.22157434,58.96803508,6.973583586,7.238456,7.076793481,6.986881722,6.953288333,6.948065778,6.89675037,6.852178778,6.85152,1.172150279,1.592217364,1.188318492,0.98841398,0.918691582,0.890759377,0.779190725,0.69554627,0.66759004,166.8793878,145.6002072,157.4652501,164.2524212,166.8260839,167.0961266,170.9889728,174.4711426,174.3192839,1.552681992,1.919642857,1.552469136,1.4375,1.400462963,1.432539683,1.351851852,1.277777778,1.333333333,0.040889521,-0.005834414,-0.0124134,-0.004886585,0.001907966,-0.005044735,-0.001733951,0.004600188,-0.001766697,751.4441938,-57.58193056,-205.2795824,-116.4594546,-12.09220542,-133.7340337,-29.94260389,89.9717665,-15.54712125,1397.342566,-107.0760587,-381.7261493,-216.5613287,-22.48597233,-248.6841464,-55.67955053,167.3063417,-28.91053585,0.147202759,-0.011279905,-0.040212861,-0.022813608,-0.00236878,-0.026197579,-0.005865551,0.017624851,-0.003045574,6.246771423,-0.478679803,-1.706493496,-0.968129901,-0.100522759,-1.111733841,-0.248913497,0.747937191,-0.129243547,33.93256151,-2.600196285,-9.269699755,-5.258896986,-0.54604122,-6.038955871,-1.352102068,4.062806695,-0.702052997,3.187739464,-1.143909367,-0.41280222,-0.42013476,0.516646849,-0.229686881,-0.435790725,0.646254459,-0.478596908,0.001409983,-2.08E-04,-2.30E-04,-6.79E-05,2.65E-05,-8.01E-05,-3.21E-05,1.28E-04,-9.81E-05,25.91186875,-2.05649752,-3.801473749,-1.617492424,-0.167947297,-2.12276244,-0.554492665,2.499215736,-0.863728958,48.18422642,-3.824144954,-7.069002765,-3.007796233,-0.312305171,-3.947367402,-1.031102788,4.647398382,-1.606140881,0.005075957,-4.03E-04,-7.45E-04,-3.17E-04,-3.29E-05,-4.16E-04,-1.09E-04,4.90E-04,-1.69E-04,0.215405911,-0.017095707,-0.031601731,-0.013446249,-0.001396149,-0.017646569,-0.004609509,0.020776033,-0.007180197,1.170088328,-0.092864153,-0.171661107,-0.073040236,-0.007583906,-0.095856442,-0.025038927,0.112855742,-0.039002944,0.10992205,-0.040853906,-0.007644486,-0.005835205,0.007175651,-0.003645824,-0.008070199,0.017951513,-0.026588717,-0.147783241,-0.163035794,-0.04813477,0.018794208,-0.056791559,-0.02277346,0.090627302,-0.069610625,-0.079365079,-0.146707819,-0.06242284,-0.006481481,-0.081922399,-0.021399177,0.096450617,-0.033333333,-0.079365079,-0.146707819,-0.06242284,-0.006481481,-0.081922399,-0.021399177,0.096450617,-0.033333333,-0.079365079,-0.146707819,-0.06242284,-0.006481481,-0.081922399,-0.021399177,0.096450617,-0.033333333,-0.079365079,-0.146707819,-0.06242284,-0.006481481,-0.081922399,-0.021399177,0.096450617,-0.033333333,-0.079365079,-0.146707819,-0.06242284,-0.006481481,-0.081922399,-0.021399177,0.096450617,-0.033333333,-0.371662517,-0.069544605,-0.053084936,0.065279447,-0.033167353,-0.073417468,0.163311298,-0.241887019,1.68020399,1.273699987,1.020892355,0.903416771,1.013235032,0.883265565,0.669818907,0.887811316,1.611111111,1.336625514,1.065123457,0.939814815,1.002469136,0.835390947,0.62654321,0.751851852,1.611111111,1.336625514,1.065123457,0.939814815,1.002469136,0.835390947,0.62654321,0.751851852,1.611111111,1.336625514,1.065123457,0.939814815,1.002469136,0.835390947,0.62654321,0.751851852,1.611111111,1.336625514,1.065123457,0.939814815,1.002469136,0.835390947,0.62654321,0.751851852,1.611111111,1.336625514,1.065123457,0.939814815,1.002469136,0.835390947,0.62654321,0.751851852,1.978064904,0.962406517,0.925130208,0.79296875,1.068910256,1.057291667,0.670973558,1.463942308,50.04149182,25.02074591,38.31124324,50.04149182,5.560165758,25.02074591,-1.42E-14,0.045146306,0.005016256,-2.788062138,41.34668254,4.594075837,3.34979297,50.04149182,25.02074591,38.31124324,50.04149182,5.560165758,25.02074591,-1.42E-14,0.045146306,0.005016256,-2.788062138,41.34668254,4.594075837,3.34979297,50.04149182,25.02074591,38.31124324,50.04149182,5.560165758,25.02074591,-1.42E-14,0.045146306,0.005016256,-2.788062138,41.34668254,4.594075837,3.34979297,50.04149182,25.02074591,38.31124324,50.04149182,5.560165758,25.02074591,-1.42E-14,0.045146306,0.005016256,-2.788062138,41.34668254,4.594075837,3.34979297,50.04149182,25.02074591,38.31124324,50.04149182,5.560165758,25.02074591,-1.42E-14,0.045146306,0.005016256,-2.788062138,41.34668254,4.594075837,3.34979297,50.04149182,25.02074591,38.31124324,50.04149182,5.560165758,25.02074591,-1.42E-14,0.045146306,0.005016256,-2.788062138,41.34668254,4.594075837,3.34979297,59.92893307,29.86338629,46.52715618,59.77169713,6.641299681,29.86338629,-0.202160494,0.032392945,0.003599216,-3.086833151,39.70395521,4.411550579,3.313305729,0,11.89,12.11013444,-0.170392069,0.049966996,5.185929171,8.427943312,8,28,28,28,8,0,0,0,0,0,21.86414,3.54717855,3.243149056,2.952827496,2.511445083,2.231745664,1.853894672,1.447511309,1.250209402,1.942392991,1.757503839,1.572033242,1.299807739,1.135496237,0.888825859,0.669132174,0.578552916,3.57374605,3.278802989,2.996537215,2.569722874,2.301592547,1.935642646,1.549394695,1.365483802,1.884385463,1.684590059,1.48633818,1.195854568,1.020840711,0.760626508,0.524751925,0.426280632,3.690698126,3.434317324,3.186401425,2.818836794,2.594361249,2.275688537,1.962494364,1.823055997,1.714070022,1.46504323,1.223660794,0.866815395,0.649682631,0.339329247,0.037946952,0.094857267,3.59332553,3.305014835,3.028647747,2.612345086,2.352353362,1.994937525,1.622673552,1.447761748,1.847475017,1.637694303,1.430801375,1.12762046,0.944958001,0.675290375,0.427760463,0.32346724,3.747728606,3.509053395,3.276837248,2.93473069,2.727434834,2.42840523,2.142645631,2.018398202,1.661045582,1.395150256,1.138762859,0.757034227,0.522603723,0.192825274,0.136598352,0.285392427,3.578201177,3.353324857,3.135708541,2.733165658,2.48325171,2.091846857,1.726854189,1.562505414,1.846684668,1.576770515,1.313144226,0.984705506,0.789483962,0.543293064,0.288632352,0.177307717,0,0,0,0,0,3,5,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.40824829,0.49279928,0.390737207,0.40824829,0.49279928,0.390737207,7.112884175,4.308060412,3.036075375,1.83195123,1.189722705,0.594861352,0.204124145,0.102062073,0.790320464,0.538507552,0.379509422,0.261707319,0.198287117,0.148715338,0.102062073,0.102062073,7.112884175,4.308060412,3.036075375,1.83195123,1.189722705,0.594861352,0.204124145,0.102062073,0.790320464,0.538507552,0.379509422,0.261707319,0.198287117,0.148715338,0.102062073,0.102062073,14.41827804,27.87836854,26.25490196,26.6,16.98554491,223.5398563,0.497182001,0.961323053,0.905341447,0.917241379,0.585708445,7.708270906,3.6128,43.597,25.02074591,38.31124324,50.04149182,5.560165758,25.02074591,0.045146306,0.005016256,-2.788062138,41.34668254,4.594075837,3.34979297,83,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,3,0,5,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,6.889158163,0,6.976628874,0,0,0,0.967546296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.262565193,0,1.352064437,0,0,0,0.967546296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.360277778,0,1.434861111,0,0,0,0.967546296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.83333333,1.648148148,0.2,2.360277778,0.2,0.967546296,6.75005862,0.365787037,0.360277778,1.778316327,0.365787037,0.360277778,1.778316327,4.5,0.5,0,0,0.42414,0.7,0.42414,0.42414,0.7,0,0,0,0,0.71429,0,0,0.33333,0.11111,0,4,0.44444,4,0.44444,0,0,-4,-0.44444,0,0,9.95878,1.10653,9.95878,0,0,4.30805,0.47867,4.30805,0,0,0.10595,0.01177,0.10595,0.01177,0,8,0,0,0,0,0,0,1,0.893571102,1.313046862,2.521822169,3.210586598,2.874885305,2.818828309,25.91356195,38.07835898,73.1328429,93.10701135,83.37167385,81.74602095,0.183938781,0.270286537,0.519109105,0.660889082,0.591786034,0.580246879,3.964409893,3.544934134,2.336158826,1.647394397,1.98309569,2.039152687,0.185875833,0.273132915,0.524575824,0.66784888,0.59801811,0.586357437,6.65913786,11.69284698,16.83965703,16.20346413,14.9212398,15.05055929,35.68332321,27.61103379,22.77289986,22.89519946,25.37008175,25.24020401,9,6.125,5.87755102,9,0,8,2.45,1.3767,0.577757036,5.286499269,1.310370697,0,4.508797714,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,4.037,8,7,6,4,2,1,0,0,0,45,2.197224577,2.197224577,2.079441542,1.945910149,1.609437912,1.098612289,0.693147181,0,0,0,3.828641396,1,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.625,8,1,1,4,7,0.75,1.5,0.666666667,0.375,0.16,0.055555556,0.040816327,0,0,0,0,0.1875,0.083333333,0.053571429,0.026666667,0.013888889,0.020408163,0,0,0,0,0.385368481,25.02074591,38.31124324,50.04149182,5.560165758,25.02074591,0.045146306,0.005016256,-2.788062138,41.34668254,4.594075837,3.34979297,0,164.2203203,4.169925001,3.496507561,4.143134726,4.844187086,5.517452896,6.228511004,6.910750788,7.624130586,8.309676896,9.023408203,73.09775975,2.833213344,0,3.891820298,0,5.117993812,0,6.424869024,0,7.773594467,8.08085642,128.1565006,4.419189677,16.65502353,1.85055817,0,0,0,108,7,5.4,32,1.230142857,2.122427995,2.870091576,3.550061605,4.564497363,5.63003123,6.836917799,8.284152283,9.473632882,0,72.40063676,69.14254315,67.56234034,77.98515996,83.80786827,70.86478066,65.49542534,42.1014707,9.625817321,0,275.5059647,317.7143833,337.9444951,398.8937317,476.4775765,476.2268413,486.912884,511.5622927,294.4759833,0,8.939719117,15.07362795,20.10476712,24.811811,31.86213483,38.97222069,46.98762124,56.86908096,63.64826147,0,2.098837641,2.664233079,2.98947334,3.571409243,4.402123285,4.692570851,5.04107664,5.714834053,4.212099435,0,176.9060838,330.3331186,467.7965074,582.8469803,751.6196206,951.7577218,1182.096949,1435.321958,1751.841949,0,2.420877976,3.392159925,4.222269803,5.189005195,6.815471403,7.877203323,9.055130261,11.32122458,9.473632882,0,0.435567857,0.563109719,0.638664101,0.764729602,0.947027643,1.020761302,1.106392767,1.266198343,0.970100007,0,440.6490795,220.58515,10.79680934,165.1054202,-82.6503573,-9.906566709,275.5436593,303.2355073,20.70337605,0.727438393,0.36414942,0.017823738,0.272561607,-0.136442003,-0.016354095,266.9251626,133.6204471,6.540215838,100.0133512,-50.06582583,-6.00094736,0.059196395,0.130177644,0.822394583,8.646340748,605.7544996,0,1,0,496.6525532,22.28570289,7.919253116,690.3932748,26.27533586,8.838234442,827.9078006,28.77338702,9.38989332,2.343523656,2.343523656,1047.109756,995.4113528,97.66915531,1.051936723,10.72098712,10.19166542,4.784922957,5.645455692,10.06558281,0.782953115,5.578011069,7.588245423,3.162495713,29.2940069,11.37810669,6.05394265,7.057215177,12.07701082,14.98293995,4.270770259,4.175543898,12.44702958,4.857328789,5.02673072,2.706479734,1.089056456,0.142773617,0.63522528,2.008139858,1.27E-08,2.41E-38,8.76E-90,6.16E-163,8.34E-258,0,0,0,0,0,0,0.468123816,7.587802468,0.206455947,8.472035457,1.071531758,0.177673429,0.717192672,0.604210789,4.26691997,0.110137333,0.079932296,0.65601357,0.152544019,1.996529511,0.114384014,0.060782495,0.002820634,0.053296814,0.014143493,8.97E-11,1.69E-40,6.17E-92,4.34E-165,5.88E-260,0,0,0,0,0,0,1.511160743,7.587832855,0.705309062,10.60685664,1.769504237,0.791130218,1.73691588,2.139758937,5.688523397,0.518908787,0.434287192,2.336133138,0.660521981,2.61493604,0.443541096,0.213073955,0.012173464,0.172057337,0.147386104,9.35E-10,1.77E-39,6.43E-91,4.52E-164,6.12E-259,0,0,0,0,0,0,5.265187433,7.588197069,2.944547129,27.27094685,10.2498133,5.486888951,6.57200618,11.08941379,14.0560107,3.860224125,3.754422827,11.46811736,4.409272101,4.841180765,2.477059604,1.005728872,0.127408321,0.599591729,1.78921646,1.13E-08,2.14E-38,7.81E-90,5.49E-163,7.43E-258,0,0,0,0,0,0,2.227172895,7.587871539,1.078795471,12.70044667,2.666057282,1.386249067,2.518402067,3.433270257,6.891780977,0.930311864,0.820551609,3.705248343,1.143550621,3.039489001,0.728864898,0.33472025,0.024299088,0.253589686,0.320142313,2.03E-09,3.84E-39,1.40E-90,9.82E-164,1.33E-258,0,0,0,0,0,0,6.73625619,7.588448569,4.011451443,37.63418732,16.12035271,8.388875273,8.963949753,16.05750721,18.72253084,5.967776931,5.928231481,16.36338988,6.69798664,5.71378775,3.636232232,1.420717986,0.207382411,0.767169714,2.928683254,1.86E-08,3.51E-38,1.28E-89,8.98E-163,1.22E-257,0,0,0,0,0,0,3.525111452,6.779827439,1.630802434,16.75555541,4.933650306,2.865808047,3.675763521,5.975637943,9.143378802,1.85143089,1.769173657,6.555659307,2.071470785,4.333401922,1.224572876,0.647802158,0.054580841,0.467634334,0.739267242,4.69E-09,8.86E-39,3.23E-90,2.27E-163,3.07E-258,0,0,0,0,0,0,8.701721691,1.082698014,0.592483825,0.838566309,0.104337292,0.510185366,0.417253111,0.426747955,10.37690353,15.21844721,31.17734041,0.757849463,1.354186432,7.587609299,0.583284525,0.179471562,0.908655963,0.069851378,0.388266065,0.121424541,0.039337581,8.350365387,5.892178167,15.03683714,0.862983944,0.549028186,8.04488902,0.788405637,0.349079206,0.876123009,0.085860764,0.436287713,0.221624075,0.148569324,9.182373863,9.426155338,20.82261149,0.814184514,0.806481112,8.675585152,1.070994712,0.5828028,0.839893867,0.10368429,0.507133966,0.408310712,0.412966963,10.32938266,14.97183986,30.71633813,0.759840801,1.328411641,8.242292924,0.876892376,0.422257353,0.863841373,0.091903542,0.457886927,0.274032741,0.217208627,9.541442653,11.07824687,23.67159838,0.79576206,0.949128295,8.783100615,1.119133925,0.622624503,0.834510047,0.106332438,0.519745098,0.445708487,0.471088579,10.52485904,15.99483972,32.63976506,0.751765071,1.436542164,8.704550239,1.074494629,0.583989608,0.839961525,0.103685328,0.510506443,0.410761501,0.414143479,10.36303448,15.06385306,30.88893794,0.759942287,1.335411423 +UMLKV0051,L,"2,2,5-TRIMETHYLHEXANE",CC(C)CCC(C)(C)C,C9H20,Paraffin (non-normal),Alkanes,3522-94-9,2.849092112,PubChem,,1.3067,0,2.4471,5.98829841,42.7118,29.17586,0,0,29,9,20,0,9,0,0,0,0,0,0,0,0,0,1318.698369,1396.254728,1918.962707,1531.560246,1105.197245,1113.99423,444.999744,54.867456,0,4433.327004,5682.867541,8170.2616,9109.883628,7214.431156,5538.872838,4410.271889,1678.522199,0,202.233924,202.676768,382.217996,510.216792,679.616564,374.914392,316.700928,362.797056,0,33.9923581,44.5820862,67.18847144,82.2001476,73.13032959,50.11558473,44.0891113,24.00909686,0,4839.502245,4076.805803,8519.524242,11248.39554,17189.55836,9064.501556,7176.670586,9985.553209,0,47.84027778,56.29166667,87.79166667,125.8333333,124.75,79.5,81,54,0,45.47235755,49.86624029,35.53634643,21.27167008,11.16360854,20.62952278,9.8888832,1.016064,0,152.873345,202.9595551,151.3011407,126.5261615,72.87304198,102.5717192,98.00604198,31.08374443,0,6.973583586,7.238456,7.078111037,7.086344333,6.864813778,6.942859111,7.0377984,6.718464,0,1.172150279,1.592217364,1.244230953,1.141668717,0.738690198,0.928066384,0.979758029,0.444612905,0,166.8793878,145.6002072,157.7689674,156.2277158,173.6319026,167.8611399,159.4815686,184.917652,0,1.649664751,2.010416667,1.625771605,1.747685185,1.26010101,1.472222222,1.8,1,0,0.039070906,-0.00889329,0.013966007,-0.04826557,0.018555147,0.020998547,-0.04536697,0.029470677,0,751.4441938,-57.58193056,157.9184446,-913.825238,407.1042491,228.888174,-827.8842066,629.6584107,0,1397.342566,-107.0760587,293.656091,-1699.297052,757.0277351,425.6273334,-1539.486034,1170.876702,0,0.147202759,-0.011279905,0.030935139,-0.17901209,0.079748927,0.044837622,-0.162176832,0.12334576,0,6.246771423,-0.478679803,1.312779358,-7.596648466,3.384266204,1.902752215,-6.882218861,5.234363641,0,33.93256151,-2.600196285,7.131038311,-41.26511504,18.38338773,10.33578023,-37.38432208,28.43314637,0,4.179118774,-2.576677897,3.445204122,-5.340542013,1.096858898,4.356123662,-5.85337396,2.7828478,0,0.001347273,-3.18E-04,2.59E-04,-6.70E-04,1.87E-04,3.89E-04,-0.001008155,5.46E-04,0,25.91186875,-2.05649752,2.92441564,-12.69201719,4.112164132,4.238669888,-18.39742681,11.66034094,0,48.18422642,-3.824144954,5.43807576,-23.60134794,7.646744799,7.881987655,-34.21080076,21.68290189,0,0.005075957,-4.03E-04,5.73E-04,-0.002486279,8.06E-04,8.30E-04,-0.00360393,0.002284181,0,0.215405911,-0.017095707,0.024310729,-0.105509006,0.034184507,0.035236152,-0.152938197,0.09693266,0,1.170088328,-0.092864153,0.132056265,-0.573126598,0.185690785,0.191403338,-0.830762713,0.526539748,0,0.144107544,-0.092024211,0.063800076,-0.074174195,0.011079383,0.080668957,-0.130074977,0.051534219,0,-0.235748493,0.191965423,-0.497564584,0.139114922,0.288629018,-0.748293169,0.405080063,0,-0.079365079,0.112860082,-0.489814815,0.158698092,0.163580247,-0.71,0.45,0,-0.079365079,0.112860082,-0.489814815,0.158698092,0.163580247,-0.71,0.45,0,-0.079365079,0.112860082,-0.489814815,0.158698092,0.163580247,-0.71,0.45,0,-0.079365079,0.112860082,-0.489814815,0.158698092,0.163580247,-0.71,0.45,0,-0.079365079,0.112860082,-0.489814815,0.158698092,0.163580247,-0.71,0.45,0,-0.638580105,0.442725444,-0.514714168,0.07688274,0.559783024,-0.902624341,0.357609443,0,1.767827213,0.860007453,1.751558209,0.591461215,0.604626803,2.06094354,2.37E-05,0,1.611111111,1.08600823,1.691666667,0.592368126,0.751851852,1.804444444,0,0,1.611111111,1.08600823,1.691666667,0.592368126,0.751851852,1.804444444,0,0,1.611111111,1.08600823,1.691666667,0.592368126,0.751851852,1.804444444,0,0,1.611111111,1.08600823,1.691666667,0.592368126,0.751851852,1.804444444,0,0,1.611111111,1.08600823,1.691666667,0.592368126,0.751851852,1.804444444,0,0,2.246619299,0.38256042,1.842687562,0.55057682,0.271411109,2.679990832,0,0,44.93236025,22.46618013,34.61684475,44.93236025,4.992484473,22.46618013,0,0.081446694,0.009049633,-2.257025885,33.80823996,3.756471107,3.168634103,44.93236025,22.46618013,34.61684475,44.93236025,4.992484473,22.46618013,0,0.081446694,0.009049633,-2.257025885,33.80823996,3.756471107,3.168634103,44.93236025,22.46618013,34.61684475,44.93236025,4.992484473,22.46618013,0,0.081446694,0.009049633,-2.257025885,33.80823996,3.756471107,3.168634103,44.93236025,22.46618013,34.61684475,44.93236025,4.992484473,22.46618013,0,0.081446694,0.009049633,-2.257025885,33.80823996,3.756471107,3.168634103,44.93236025,22.46618013,34.61684475,44.93236025,4.992484473,22.46618013,0,0.081446694,0.009049633,-2.257025885,33.80823996,3.756471107,3.168634103,44.93236025,22.46618013,34.61684475,44.93236025,4.992484473,22.46618013,0,0.081446694,0.009049633,-2.257025885,33.80823996,3.756471107,3.168634103,60.71954155,30.19919979,47.58831529,60.46976445,6.718862717,30.19919979,-0.321141975,0.072206287,0.008022921,-2.36540534,35.08379317,3.898199241,3.201965362,0,11.89,12.11013444,-0.159445038,0.06181511,5.83334375,8.904307404,8,28,28,28,8,0,0,0,0,0,21.86414,3.591887366,3.306430688,2.589225863,2.333552793,2.333552793,2.333552793,1.684383188,0.987576503,1.957972405,1.773603564,1.324468975,1.249629723,1.249629723,1.249629723,0.76824428,0.380426647,3.615774919,3.33747549,2.642417078,2.405454588,2.405454588,2.405454588,1.770231443,1.109347445,1.902925717,1.705060638,1.225702877,1.134540686,1.134540686,1.134540686,0.63465258,0.222233624,3.722242308,3.475325607,2.87192281,2.704236987,2.704236987,2.704236987,2.127319531,1.591664857,1.74376784,1.503024705,0.916526333,0.76031856,0.76031856,0.76031856,0.194062618,0.322144074,3.633450987,3.360432047,2.681436755,2.457539916,2.457539916,2.457539916,1.832519943,1.196246751,1.868108986,1.661333113,1.161141482,1.058262671,1.058262671,1.058262671,0.545599691,0.115211168,3.7749071,3.542956917,2.979880815,2.838982085,2.838982085,2.838982085,2.287406508,1.796574934,1.695049386,1.440235618,0.814657801,0.631337262,0.631337262,0.631337262,0.04035972,0.522385199,3.600743018,3.3829888,2.720959583,2.62226806,2.62226806,2.62226806,1.875216436,1.272179231,1.890787475,1.62183256,1.086393283,0.889647739,0.889647739,0.889647739,0.461736214,0.004470494,0,0,0,0,0,5,2,1,1,0,0,0,0,0,0,0,0,0,0,1.968908462,0.353553391,0,0,1.968908462,0.353553391,0,0,1.038675135,0.827350269,1.443375673,1.038675135,0.827350269,1.443375673,7.491563832,3.916502219,4.493182156,1.471687836,0.721687836,0.866025404,0,0,0.832395981,0.489562777,0.408471105,0.245281306,0.144337567,0.144337567,0,0,7.491563832,3.916502219,4.493182156,1.471687836,0.721687836,0.866025404,0,0,0.832395981,0.489562777,0.408471105,0.245281306,0.144337567,0.144337567,0,0,14.41827804,27.87836854,26.25490196,26.6,16.98554491,223.5398563,0.497182001,0.961323053,0.905341447,0.917241379,0.585708445,7.708270906,3.4687,43.527,22.46618013,34.61684475,44.93236025,4.992484473,22.46618013,0.081446694,0.009049633,-2.257025885,33.80823996,3.756471107,3.168634103,65,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,5,0,2,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,11.46986111,0,2.716435185,0,0,0,0.865023148,0,0,0,0,0,0.532013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.283472222,0,1.351851852,0,0,0,0.865023148,0,0,0,0,0,0.532013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.300972222,0,1.364583333,0,0,0,0.865023148,0,0,0,0,0,0.532013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.58333333,1.731481481,0.2,2.300972222,0,0.532013889,6.76228,0.717986111,0.300972222,2.939722222,0.717986111,0.300972222,2.939722222,4.5,0.5,0,0,0.42414,0.7,0.42414,0.42414,0.7,0,0,0,0,0.71429,0,0,0.55556,0.11111,0.11111,4,0.44444,4,0.44444,0,0,-4,-0.44444,0,0,11.22291,1.24699,11.22291,0,0,3.91649,0.43517,3.91649,0,0,0.49751,0.05528,0.49751,0.05528,0,8,0,0,0,0,0,0,1,0.893571102,1.408042982,2.32838629,2.899567632,2.801127875,2.131284153,25.91356195,40.83324649,67.52320242,84.08746134,81.23270837,61.80724043,0.183938781,0.289841188,0.479290943,0.596866813,0.5766033,0.438718092,3.964409893,3.449938013,2.529594705,1.958413363,2.05685312,2.726696842,0.185875833,0.292893494,0.484338337,0.603152394,0.582675488,0.443338216,6.65913786,12.83280043,16.35857456,16.17614438,14.99486729,12.47718684,35.68332321,25.714359,22.43127942,23.25878926,25.90629342,19.90853391,9,3.239669421,8,9,0,6,2.45,1.3767,2.885399812,4.082482905,2.176376408,2.871745887,1,1.414213562,1.414213562,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.131,0.009,0.004,3.625,11,6,5,6,0,0,0,0,0,45,2.197224577,2.48490665,1.945910149,1.791759469,1.945910149,0,0,0,0,0,3.828641396,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.375,8,1,1,3,5,0.666666667,4,0.888888889,0.375,0.48,0,0,0,0,0,0,0.5,0.080808081,0.0625,0.096,0,0,0,0,0,0,0.739308081,22.46618013,34.61684475,44.93236025,4.992484473,22.46618013,0.081446694,0.009049633,-2.257025885,33.80823996,3.756471107,3.168634103,0,164.2203203,4.169925001,3.663561646,4.290459441,5.129898715,5.796057751,6.624065228,7.311218384,8.128290172,8.82834762,9.637501738,76.4094007,2.833213344,0,4.110873864,0,5.501258211,0,6.936342736,0,8.397733751,8.664578178,128.1565006,4.419189677,16.2720936,1.8080104,0,0,0,98,6,5.376,38,1.230142857,2.120751856,2.933595755,3.453760226,4.28632814,5.463560251,5.81479343,0,0,0,72.40063676,86.24858719,67.6264434,47.01634141,106.3365067,54.80669199,5.908202272,0,0,0,275.5059647,351.6343945,385.296928,276.560526,499.0916844,541.3312766,180.7455529,0,0,0,8.939719117,15.07932026,20.8172457,23.7686662,29.92745383,38.47944253,39.06648033,0,0,0,2.098837641,2.825465234,3.43293892,2.705246993,4.365978114,5.399901456,2.585332198,0,0,0,176.9060838,329.6891532,456.2871507,595.3801275,706.9286128,869.1063094,1075.257948,0,0,0,2.515197917,3.616925611,5.188109351,4.453798295,6.718967673,9.904571749,5.81479343,0,0,0,0.435567857,0.593200326,0.732039658,0.589154832,0.932021502,1.170551752,0.595434847,0,0,0,410.5188497,200.3464521,9.867695936,125.2285301,-61.11556566,-7.237534023,285.2903196,261.4620178,17.10522996,0.766254517,0.373956943,0.018418561,0.233745483,-0.114075342,-0.013509229,219.9343981,107.3350868,5.286592243,67.09085689,-32.74250417,-3.877489889,0.060546326,0.12840286,1.161267383,7.175698022,535.7473798,0,1,0,496.6525532,22.28570289,7.919253116,690.3932748,26.27533586,8.838234442,899.6982346,29.99497016,9.653814647,1.558857073,1.537100381,684.0044343,639.5119233,175.0724125,1.069572606,3.906980114,3.652842353,4.563210028,4.466158665,7.636292013,0.709812074,5.578011069,7.588297688,3.568614305,28.70935633,6.256189289,9.418879503,8.440513593,15.79279361,4.564672941,5.79009051,9.175356154,2.243254342,3.756162848,1.267677917,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.468123816,7.587802837,0.195232586,11.86707703,1.538877036,0.269494112,0.519701832,1.366263065,2.051824389,0.213200995,0.300788883,0.023524017,0.143454943,0.008928359,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.511160743,7.587836691,0.698932152,14.50439899,1.880631451,1.21316437,1.504172757,3.253544244,2.376609371,0.867038431,1.279515946,0.171953267,0.576276681,0.093040387,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,5.265187433,7.588243636,3.296694029,27.39507729,5.747656666,8.531910391,7.731907777,14.5355099,4.344280107,5.277268573,8.337458137,1.999583646,3.427234897,1.129478201,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.227172895,7.587879871,1.099600682,16.5525366,2.299667313,2.135293716,2.36773472,4.863091685,2.655427031,1.459742719,2.198645465,0.364306648,0.963839943,0.202096153,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.73625619,7.588524792,4.649674324,33.89710005,8.388557405,13.07404086,11.31815585,20.8727138,5.456260067,7.883461087,12.61221537,3.267833798,5.096389023,1.848789103,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.473045251,5.997944653,1.45482279,20.52030341,3.136755159,4.000212486,3.621784337,7.782124639,2.983151409,2.563264809,4.083750817,0.756236792,1.760495516,0.422837234,1.20E-06,2.67E-33,1.14E-81,9.46E-152,1.51E-243,0,0,0,0,0,0,0,0,0,0,0,5.24653002,1.429852817,0.995357502,0.683877424,0.186379199,0.596711218,0.540669653,0.444014375,7.671740339,14.14715347,29.28583261,0.525816136,1.581395247,4.480598511,0.856522156,0.51019503,0.76626588,0.146481257,0.435749884,0.193728878,0.118547342,5.847315697,6.560704338,14.36601178,0.649398821,0.748026103,4.794969597,1.091908012,0.709467546,0.726913084,0.165532274,0.498758385,0.315035517,0.227707897,6.596345155,9.41221433,19.7230944,0.590369625,1.041501799,5.228561541,1.416408736,0.983988612,0.685357153,0.185662127,0.592645621,0.530533326,0.434088868,7.628958889,13.94435532,28.86051764,0.528035729,1.557267815,4.930680834,1.193492646,0.79542932,0.712567033,0.172479936,0.527273634,0.376477307,0.285416197,6.9196028,10.75607846,22.35656909,0.568850549,1.189167138,5.302476881,1.471710729,1.030752138,0.67937448,0.188561447,0.609459038,0.572844925,0.475610648,7.804939748,14.78622048,30.63485317,0.51906172,1.657914611,5.242111732,1.420942375,0.986304581,0.685300814,0.185759674,0.595725529,0.534078648,0.435905159,7.649358688,14.02053948,29.01662327,0.52795122,1.565709336 +UMLKV0052,L,"3,3-DIETHYLPENTANE",CCC(CC)(CC)CC,C9H20,Paraffin (non-normal),Alkanes,1067-20-5,2.858095371,PubChem,,1.5876,0,0.8578,0.73582084,44.0225,29.17586,0,0,29,9,20,0,9,0,0,0,0,0,0,0,0,0,1318.698369,1396.254728,1797.896698,2191.410156,1616.395542,509.011776,54.867456,0,0,4433.327004,5682.867541,7945.134187,9958.730877,10171.30826,6368.547788,1678.522199,0,0,202.233924,202.676768,382.19428,507.96408,633.544152,739.96416,362.797056,0,0,33.9923581,44.5820862,66.18204716,84.22510488,94.21676832,72.09972431,24.00909686,0,0,4839.502245,4076.805803,8514.057329,11471.96764,14386.14265,18826.48266,9985.553209,0,0,46.5625,55.5,83.5,111,150,144,54,0,0,45.47235755,49.86624029,33.2943833,30.43625217,17.95995047,4.713072,1.016064,0,0,152.873345,202.9595551,147.1321146,138.3157066,113.0145362,58.96803508,31.08374443,0,0,6.973583586,7.238456,7.077671852,7.055056667,7.039379467,6.85152,6.718464,0,0,1.172150279,1.592217364,1.225593466,1.169793123,1.046852981,0.66759004,0.444612905,0,0,166.8793878,145.6002072,157.6677283,159.3328839,159.8460294,174.3192839,184.917652,0,0,1.605603448,1.982142857,1.546296296,1.541666667,1.666666667,1.333333333,1,0,0,0.039883493,-0.009553413,-0.002033221,0.013194177,-0.040843689,-0.009257736,0.028552137,0,0,751.4441938,-57.58193056,36.85243556,38.00407417,-929.3723592,-93.28272751,629.6584107,0,0,1397.342566,-107.0760587,68.52867757,70.67019875,-1728.207588,-173.4632151,1170.876702,0,0,0.147202759,-0.011279905,0.007219139,0.007444737,-0.182057665,-0.018273446,0.12334576,0,0,6.246771423,-0.478679803,0.306355074,0.31592867,-7.725892013,-0.77546128,5.234363641,0,0,33.93256151,-2.600196285,1.664125622,1.716129548,-41.96716803,-4.212317981,28.43314637,0,0,3.715517241,-1.587395957,-0.810790725,2.23216409,-1.457639715,-2.742271106,2.508174792,0,0,0.001375293,-3.41E-04,-3.77E-05,1.83E-04,-4.54E-04,-8.57E-05,5.29E-04,0,0,25.91186875,-2.05649752,0.68245251,0.527834363,-10.32635955,-0.863728958,11.66034094,0,0,48.18422642,-3.824144954,1.269049585,0.981530538,-19.20230653,-1.606140881,21.68290189,0,0,0.005075957,-4.03E-04,1.34E-04,1.03E-04,-0.002022863,-1.69E-04,0.002284181,0,0,0.215405911,-0.017095707,0.005673242,0.004387898,-0.085843245,-0.007180197,0.09693266,0,0,1.170088328,-0.092864153,0.030817141,0.023835133,-0.466301867,-0.039002944,0.526539748,0,0,0.128121284,-0.056692713,-0.015014643,0.031002279,-0.016195997,-0.025391399,0.046447681,0,0,-0.248087773,-0.027377622,0.133246135,-0.329979736,-0.062328381,0.384458682,0,0,-0.079365079,0.026337449,0.02037037,-0.398518519,-0.033333333,0.45,0,0,-0.079365079,0.026337449,0.02037037,-0.398518519,-0.033333333,0.45,0,0,-0.079365079,0.026337449,0.02037037,-0.398518519,-0.033333333,0.45,0,0,-0.079365079,0.026337449,0.02037037,-0.398518519,-0.033333333,0.45,0,0,-0.079365079,0.026337449,0.02037037,-0.398518519,-0.033333333,0.45,0,0,-0.442492542,-0.117190857,0.241976025,-0.126411446,-0.198182521,0.362529002,0,0,1.784875369,1.054553482,0.874155264,1.538079911,0.904733617,0,0,0,1.611111111,1.169547325,1.127777778,1.503703704,0.751851852,0,0,0,1.611111111,1.169547325,1.127777778,1.503703704,0.751851852,0,0,0,1.611111111,1.169547325,1.127777778,1.503703704,0.751851852,0,0,0,1.611111111,1.169547325,1.127777778,1.503703704,0.751851852,0,0,0,1.611111111,1.169547325,1.127777778,1.503703704,0.751851852,0,0,0,2.052204176,0.959439718,0.510247486,1.381593194,1.255993813,0,0,0,40.78460969,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,-7.11E-15,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,40.78460969,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,-7.11E-15,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,40.78460969,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,-7.11E-15,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,40.78460969,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,-7.11E-15,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,40.78460969,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,-7.11E-15,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,40.78460969,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,-7.11E-15,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,53.61524149,26.67613926,33.85352069,53.41071474,5.93452386,26.67613926,-0.262962963,1.80E-16,2.00E-17,-32.62616348,4000024.211,444447.1345,13.68162987,0,11.89,12.11013444,-0.167750256,0.052870184,5.906707008,10.15700279,8,28,28,28,8,0,0,0,0,0,21.86414,3.637282007,2.902564078,2.902564078,2.902564078,2.14936441,1.598026915,1.598026915,1.598026915,1.974892075,1.563026335,1.563026335,1.563026335,1.048930994,0.769718516,0.769718516,0.769718516,3.658753114,2.950308951,2.950308951,2.950308951,2.217766728,1.695309721,1.695309721,1.695309721,1.922967344,1.473453684,1.473453684,1.473453684,0.933620224,0.630337185,0.630337185,0.630337185,3.755381836,3.155598408,3.155598408,3.155598408,2.507077934,2.090117344,2.090117344,2.090117344,1.775109076,1.195492746,1.195492746,1.195492746,0.562129754,0.162386152,0.162386152,0.162386152,3.674689108,2.985267979,2.985267979,2.985267979,2.267644441,1.765276817,1.765276817,1.765276817,1.890327588,1.415133181,1.415133181,1.415133181,0.857422689,0.536857124,0.536857124,0.536857124,3.803761995,3.252217518,3.252217518,3.252217518,2.639666545,2.26277616,2.26277616,2.26277616,1.730553434,1.104407163,1.104407163,1.104407163,0.435831157,0.004703131,0.004703131,0.004703131,3.621293872,3.091071415,3.091071415,3.091071415,2.376484409,1.861851204,1.861851204,1.861851204,1.929394785,1.298059931,1.298059931,1.298059931,0.724306504,0.408961048,0.408961048,0.408961048,0,0,0,0,0,4,4,0,1,0,0,0,0,0,0,0,0,0,0,0.707106781,0.125,0,0,0.707106781,0.125,0,0,2.121320344,2.621320344,0,2.121320344,2.621320344,0,7.328427125,4.242640687,2.914213562,3,1.5,0,0,0,0.814269681,0.530330086,0.291421356,0.25,0.25,0,0,0,7.328427125,4.242640687,2.914213562,3,1.5,0,0,0,0.814269681,0.530330086,0.291421356,0.25,0.25,0,0,0,14.41827804,27.87836854,26.25490196,26.6,16.98554491,223.5398563,0.497182001,0.961323053,0.905341447,0.917241379,0.585708445,7.708270906,3.6128,43.597,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,48,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,4,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.208333333,0,5.375,0,0,0,0,0,0,0,0,0,0.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.302083333,0,1.34375,0,0,0,0,0,0,0,0,0,0.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.302083333,0,1.34375,0,0,0,0,0,0,0,0,0,0.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.25,1.694444444,0.2,2.302083333,0,0.666666667,6.732083333,0.583333333,0.302083333,2.416666667,0.583333333,0.302083333,2.416666667,4.5,0.5,0,0,0.42414,0.7,0.42414,0.42414,0.7,0,0,0,0,0.71429,0,0,0.44444,0,0.11111,4,0.44444,4,0.44444,0,0,-4,-0.44444,0,0,11.07107,1.23012,11.07107,0,0,4.24264,0.4714,4.24264,0,0,0.17136,0.01904,0.17136,0.01904,0,8,0,0,0,0,0,0,1,0.893571102,1.325616792,1.995237891,1.995237891,1.827721305,1.43351703,25.91356195,38.44288696,57.86189885,57.86189885,53.00391785,41.57199387,0.183938781,0.272874018,0.4107134,0.4107134,0.376230641,0.29508494,3.964409893,3.532364203,2.862743104,2.862743104,3.03025969,3.424463965,0.185875833,0.275747644,0.415038607,0.415038607,0.380192712,0.298192468,6.65913786,11.84368614,12.51854705,12.51854705,10.50834802,5.777896713,35.68332321,27.32073783,30.34847186,30.34847186,29.34337234,19.88246974,9,3.92,2,9,0,5,2.45,1.3767,1.5,7.019061402,0,2,3,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,3.853,10,12,6,0,0,0,0,0,0,45,2.197224577,2.397895273,2.564949357,1.945910149,0,0,0,0,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.5,8,1,1,2,4,1,3,1.333333333,0.75,0,0,0,0,0,0,0,0.375,0.133333333,0.0625,0,0,0,0,0,0,0,0.570833333,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,0,164.2203203,4.169925001,3.610917913,4.394449155,5.198497031,5.993961427,6.803505258,7.601402335,8.412054873,9.210440367,10.02131503,78.24654339,2.833213344,0,4.043051268,0,5.549076085,0,7.136483209,0,8.741456116,8.968268811,128.1565006,4.419189677,16.42830086,1.825366762,0,0,0,88,12,5.437,36,1.230142857,2.121349563,2.909612768,3.545081013,3.977681278,4.356754031,0,0,0,0,72.40063676,80.54932465,96.2260113,66.2617814,19.12908082,4.426740927,0,0,0,0,275.5059647,340.3496337,424.8349438,409.3363689,237.4371121,135.4242288,0,0,0,0,8.939719117,15.07778393,20.58019479,24.98005525,27.26691045,29.27069511,0,0,0,0,2.098837641,2.771904304,3.541786163,3.768141885,2.678498865,1.937069065,0,0,0,0,176.9060838,329.9031207,459.7773136,564.801096,692.2915066,805.6407258,0,0,0,0,2.491660714,3.383177224,4.599946292,5.978423548,5.338015732,4.356754031,0,0,0,0,0.435567857,0.583208226,0.748520496,0.808326005,0.594496584,0.446131613,0,0,0,0,375.1899386,183.9543703,9.104550462,141.7390721,-69.49419233,-8.440468948,233.4508665,253.4485626,17.54501941,0.725805538,0.355860024,0.017612767,0.274194462,-0.134436626,-0.016328101,193.9465638,95.09135065,4.706406264,73.26903834,-35.92356409,-4.363123264,0.054651513,0.132112797,1.055459976,6.282011201,516.9290108,0,1,0,496.6525532,22.28570289,7.919253116,690.3932748,26.27533586,8.838234442,974.8414171,31.22245053,9.915424777,1.312269645,1.080871463,425.3191316,386.0842576,259.7526301,1.101622569,1.637400674,1.486353603,4.139130056,3.220194404,6.42424645,0.994987148,6.577483003,7.947321096,4.894232853,32.64673409,12.5509315,15.76826118,21.51994865,23.16097971,8.302915224,6.907280967,0.856847676,1.126710554,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.475163179,7.590335798,0.313701462,12.65303744,2.171182234,2.499689191,1.23899304,1.054808198,1.047084484,0.085818343,0.006035917,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.584516329,7.614198103,1.076607389,15.59439644,3.04686507,4.05127613,4.039637656,3.990190405,1.630530531,0.602451745,0.062890516,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.155698932,7.90813001,4.552940442,31.01951764,11.47574245,14.54672713,19.80462297,21.24977999,7.541168937,6.179856596,0.763436589,1.003878819,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.386511028,7.645129725,1.651411966,17.95197167,4.017079759,5.459873195,6.35980804,6.473469944,2.297571008,1.217139377,0.136603977,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,8.193892073,8.112112566,6.227004659,39.12940644,17.03117373,20.75571503,28.40892392,30.87071806,11.4838725,9.952382561,1.249628323,1.643201452,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.845122238,6.567009009,2.609516396,19.9774825,6.170132562,7.980371239,10.81473787,11.00675398,4.141765757,2.574153153,0.29843929,0.392425928,2.80E-15,3.84E-51,1.02E-108,5.20E-188,5.13E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,2.888682359,1.711309498,1.343196526,0.486049267,0.287944684,0.488100275,0.449747773,0.511014452,5.943188382,11.12212264,23.70530843,0.229073901,1.4488625,2.152455777,1.167032579,0.863164121,0.514615017,0.279017343,0.270385225,0.208707721,0.21193646,4.182652476,5.377249263,11.72815794,0.271922526,0.691029406,2.454682878,1.390499183,1.060269934,0.500398919,0.283459951,0.352000337,0.296575399,0.31916834,4.905451996,7.490165469,16.01456742,0.250598379,0.967744076,2.871415325,1.698547471,1.331942281,0.486523468,0.287796474,0.482259513,0.443045525,0.50253089,5.901905078,10.96416191,23.36226282,0.229785202,1.427835928,2.585131028,1.4869357,1.145322894,0.495483607,0.284996101,0.390564961,0.339268579,0.372146389,5.217389622,8.507754864,18.1276782,0.24322541,1.10197993,2.942443786,1.751043652,1.378235901,0.484614272,0.288393188,0.506511765,0.470938227,0.537879225,6.071723339,11.6210804,24.79395405,0.226921408,1.515329217,2.882807732,1.702683592,1.333091496,0.487077366,0.28768434,0.486110471,0.445395808,0.50359341,5.91858282,11.02138891,23.4834639,0.230616049,1.435099689 +UMLKV0053,L,"2,2,3,3-TETRAMETHYLPENTANE",CCC(C)(C)C(C)(C)C,C9H20,Paraffin (non-normal),nonanes,7154-79-2,2.835647698,PubChem,,0.8146,0,2.7773,7.71339529,43.102,29.17586,0,0,29,9,20,0,9,0,0,0,0,0,0,0,0,0,1318.698369,1396.254728,2161.094725,2391.048588,1280.631243,309.373344,27.433728,0,0,4433.327004,5682.867541,8620.516427,11464.48257,10335.18712,4862.796093,839.2610996,0,0,202.233924,202.676768,382.265428,515.149104,814.871532,732.779136,181.398528,0,0,33.9923581,44.5820862,69.20132001,96.26587017,103.2020439,60.05895902,12.00454843,0,0,4839.502245,4076.805803,8530.458067,10899.65576,19362.51851,19398.79454,4992.776605,0,0,49.375,57.9375,87.625,139.5,185.25,126,27,0,0,45.47235755,49.86624029,40.02027269,33.20900817,10.94556618,2.864568,1.016064,0,0,152.873345,202.9595551,159.6391931,159.2289246,88.33493264,45.02588975,31.08374443,0,0,6.973583586,7.238456,7.078989407,7.154848667,6.964713949,6.784992,6.718464,0,0,1.172150279,1.592217364,1.281505926,1.337025975,0.882068751,0.556101472,0.444612905,0,0,166.8793878,145.6002072,157.9714457,151.3841078,165.4916112,179.618468,184.917652,0,0,1.702586207,2.069196429,1.622685185,1.9375,1.583333333,1.166666667,1,0,0,0.037698578,-0.012969332,0.02387687,-0.018167497,-0.051071628,0.024887956,0.014594342,0,0,751.4441938,-57.58193056,400.0504626,-638.2957002,-977.7411809,583.0170469,314.8292053,0,0,1397.342566,-107.0760587,743.9109179,-1186.938111,-1818.151477,1084.145094,585.438351,0,0,0.147202759,-0.011279905,0.078367139,-0.125037746,-0.191532785,0.114209037,0.06167288,0,0,6.246771423,-0.478679803,3.325627928,-5.306165611,-8.127983047,4.846633001,2.61718182,0,0,33.93256151,-2.600196285,18.06486369,-28.82317582,-44.15133291,26.32698738,14.21657319,0,0,4.685344828,-3.189729489,3.25401308,0.005350773,-5.933115339,1.947681332,1.573127229,0,0,0.001299951,-4.63E-04,4.42E-04,-2.52E-04,-4.37E-04,2.30E-04,5.41E-04,0,0,25.91186875,-2.05649752,7.408341899,-8.865218059,-8.35676223,5.39830599,11.66034094,0,0,48.18422642,-3.824144954,13.77612811,-16.48525154,-15.53975621,10.0383805,21.68290189,0,0,0.005075957,-4.03E-04,0.001451243,-0.001736635,-0.001637032,0.001057491,0.002284181,0,0,0.215405911,-0.017095707,0.061585702,-0.073696745,-0.069469941,0.044876231,0.09693266,0,0,1.170088328,-0.092864153,0.334534513,-0.400321886,-0.37736182,0.243768402,0.526539748,0,0,0.161563615,-0.11391891,0.060259501,7.43E-05,-0.050710388,0.018034086,0.058263971,0,0,-0.356313756,0.340139177,-0.194104511,-0.335789306,0.177271327,0.415808885,0,0,-0.079365079,0.28590535,-0.34212963,-0.322507123,0.208333333,0.45,0,0,-0.079365079,0.28590535,-0.34212963,-0.322507123,0.208333333,0.45,0,0,-0.079365079,0.28590535,-0.34212963,-0.322507123,0.208333333,0.45,0,0,-0.079365079,0.28590535,-0.34212963,-0.322507123,0.208333333,0.45,0,0,-0.079365079,0.28590535,-0.34212963,-0.322507123,0.208333333,0.45,0,0,-0.70510251,0.372976933,4.60E-04,-0.313872573,0.111622202,0.360625575,0,0,1.893878987,0.623693962,1.493815405,1.391668431,0.452864479,9.76E-05,0,0,1.611111111,0.918930041,1.691666667,1.272364672,0.375925926,0,0,0,1.611111111,0.918930041,1.691666667,1.272364672,0.375925926,0,0,0,1.611111111,0.918930041,1.691666667,1.272364672,0.375925926,0,0,0,1.611111111,0.918930041,1.691666667,1.272364672,0.375925926,0,0,0,1.611111111,0.918930041,1.691666667,1.272364672,0.375925926,0,0,0,2.307727691,0.428839143,1.330611776,1.441346449,0.498006746,0,0,0,37.68803875,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,-3.55E-15,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,37.68803875,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,-3.55E-15,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,37.68803875,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,-3.55E-15,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,37.68803875,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,-3.55E-15,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,37.68803875,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,-3.55E-15,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,37.68803875,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,-3.55E-15,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,56.46679927,28.05191815,40.59955082,56.18449474,6.242721638,28.05191815,-0.362962963,0.038182916,0.004242546,-2.938830373,30.88796271,3.431995856,3.087329896,0,11.89,12.11013444,-0.15689918,0.064876315,5.912931606,10.15700569,8,28,28,28,8,0,0,0,0,0,21.86414,3.67617433,3.098235619,2.725134397,2.333552793,2.333552793,2.333552793,1.732151595,0.990922482,1.98804178,1.65646562,1.454934152,1.249629723,1.249629723,1.249629723,0.831423018,0.043938429,3.695355232,3.136415613,2.778679235,2.405454588,2.405454588,2.405454588,1.821190527,1.079788334,1.938789055,1.577123515,1.35760834,1.134540686,1.134540686,1.134540686,0.697939853,0.143687429,3.782850973,3.304488016,3.007835625,2.704236987,2.704236987,2.704236987,2.186956427,1.427400715,1.800942581,1.337894453,1.052102394,0.76031856,0.76031856,0.76031856,0.254655397,0.511736777,3.709653597,3.164585491,2.817838802,2.457539916,2.457539916,2.457539916,1.885494422,1.143025787,1.908039161,1.526027264,1.293945676,1.058262671,1.058262671,1.058262671,0.608759409,0.213282393,3.827351999,3.385806972,3.114870696,2.838982085,2.838982085,2.838982085,2.349056331,1.57115717,1.760189315,1.26197644,0.950894367,0.631337262,0.631337262,0.631337262,0.098472314,0.65386856,3.647342746,3.203603396,2.915394424,2.598486893,2.598486893,2.598486893,1.948682428,1.103089898,1.958108132,1.468406181,1.181820052,0.910986893,0.910986893,0.910986893,0.513917369,0.179138842,0,0,0,0,0,6,1,0,2,0,0,0,0,0,0,0,0,0,0,2.207106781,0.426776695,1.810660172,1.133883476,2.207106781,0.426776695,1.810660172,1.133883476,4.548097039,2.974873734,1.237436867,4.548097039,2.974873734,1.237436867,7.707106781,3.810660172,4.487436867,2.914213562,0.530330086,0,0,0,0.856345198,0.476332521,0.345187451,0.24285113,0.176776695,0,0,0,7.707106781,3.810660172,4.487436867,2.914213562,0.530330086,0,0,0,0.856345198,0.476332521,0.345187451,0.24285113,0.176776695,0,0,0,14.41827804,27.87836854,26.25490196,26.6,16.98554491,223.5398563,0.497182001,0.961323053,0.905341447,0.917241379,0.585708445,7.708270906,3.4687,43.527,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,48,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,6,0,1,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,13.81423611,0,1.260416667,0,0,0,0,0,0,0,0,0,0.925347222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.255208333,0,1.260416667,0,0,0,0,0,0,0,0,0,0.446180556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.326388889,0,1.260416667,0,0,0,0,0,0,0,0,0,0.479166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,1.777777778,0.2,2.326388889,0,0.446180556,6.801980903,0.803819444,0.326388889,3.628472222,0.803819444,0.326388889,3.628472222,4.5,0.5,0,0,0.42414,0.7,0.42414,0.42414,0.7,0,0,0,0,0.71429,0,0,0.66667,0,0.22222,4,0.44444,4,0.44444,0,0,-4,-0.44444,0,0,12.48498,1.38722,12.48498,0,0,3.81066,0.42341,3.81066,0,0,0.60334,0.06704,0.60334,0.06704,0,8,0,0,0,0,0,0,1,0.893571102,1.273555585,1.800453736,2.259420773,2.446557588,2.104919616,25.91356195,36.93311196,52.21315836,65.52320242,70.95017005,61.04266886,0.183938781,0.262157383,0.370617699,0.465094609,0.50361613,0.433291036,3.964409893,3.58442541,3.057527259,2.598560222,2.411423407,2.753061379,0.185875833,0.264918153,0.37452066,0.469992503,0.508919692,0.437854007,6.65913786,11.21895166,13.98636284,15.05904027,14.63629892,7.684582161,35.68332321,28.52181327,25.35729465,24.59606233,21.97546577,16.1841785,9,2.319526627,2,9,0,5,2.45,1.3767,5.259445099,2.749459274,0,7.742944452,0,0,1.414213562,0,0,1,0,0,0,0,0,0,0,0,0,0.003,0.187,0.158,-0.031,-0.002,3.441,13,12,3,0,0,0,0,0,0,45,2.197224577,2.63905733,2.564949357,1.386294361,0,0,0,0,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,8,1,1,2,4,1,4.5,2.444444444,0.375,0,0,0,0,0,0,0,0.5625,0.188034188,0.03125,0,0,0,0,0,0,0,0.781784188,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,0,164.2203203,4.169925001,3.761200116,4.532599493,5.407171771,6.232448017,7.090909822,7.930565854,8.783089672,9.627272812,10.47754146,80.84279902,2.833213344,0,4.234106505,0,5.831882477,0,7.493873887,0,9.177507215,9.384797754,128.1565006,4.419189677,16.04143443,1.782381603,0,0,0,82,12,5.413,42,1.230142857,2.119673424,2.974813867,3.496053697,3.963750337,5.232313993,0,0,0,0,72.40063676,97.65536869,104.5059646,42.27773487,13.06715991,5.316365885,0,0,0,0,275.5059647,374.2696449,488.46211,320.8431749,191.3894514,162.6399109,0,0,0,0,8.939719117,15.08347624,21.31165094,24.37852191,26.95565571,35.1531132,0,0,0,0,2.098837641,2.933136458,4.062960048,3.158832821,2.307546899,2.326354323,0,0,0,0,176.9060838,329.2591553,448.4671845,576.4121287,707.052815,967.5472182,0,0,0,0,2.580314732,3.620833792,5.853323898,5.615607177,4.778800046,5.232313993,0,0,0,0,0.435567857,0.613298833,0.856428792,0.685462084,0.518038875,0.535788953,0,0,0,0,364.2174027,173.0869931,8.593834934,125.1656328,-59.48244883,-7.377006992,239.0517699,232.5694419,15.97084193,0.7442379,0.353684089,0.017560549,0.2557621,-0.121545792,-0.015074096,178.2418181,84.70583808,4.205677027,61.25393733,-29.10970137,-3.610182075,0.056384543,0.136300975,0.739673556,6.841225034,489.3830355,0,1,0,496.6525532,22.28570289,7.919253116,690.3932748,26.27533586,8.838234442,995.3025394,31.5484158,9.984317216,1.356712851,1.205835205,414.4132449,405.4236334,228.6926925,1.022173378,1.812096576,1.77278788,4.067698366,3.220218461,6.42424645,0.994972244,5.578011069,7.588291149,3.495937284,48.58256654,6.35776224,10.12579373,17.33418789,22.53472892,10.37700484,6.855368487,1.605890969,1.126710556,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.468123816,7.587802791,0.182669456,14.83471138,4.007804128,0.217695909,1.217036599,1.149629222,1.10069373,0.085427852,0.01131149,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.511160743,7.587836211,0.662636053,20.03278071,4.197078985,1.119151535,3.688359065,4.119357261,1.882958762,0.598577772,0.117866056,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.265187433,7.58823781,3.223642105,45.91847321,6.11116499,9.122654988,16.05793803,20.73189269,9.416000122,6.133586388,1.430820678,1.00387882,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.227172895,7.587878828,1.05041608,24.10306274,4.413236515,2.070820184,5.627883473,6.57231354,2.749905728,1.208785785,0.256018195,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.73625619,7.588515255,4.582989586,59.1255729,7.387448173,14.29024278,22.38835099,29.77032904,14.38152597,9.8767542,2.34203757,1.643201455,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.441589251,5.683365261,1.323331363,29.69426566,5.520683379,3.801064187,8.787806673,10.34759622,4.579343768,2.321954615,0.508118336,0.356498262,2.54E-15,3.49E-51,9.25E-109,4.73E-188,4.66E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,2.997050984,1.488431682,1.432255458,0.506452114,0.25152037,0.491023323,0.538311223,0.553632324,5.917738125,10.88526267,23.19215724,0.259678171,1.582966869,2.306597404,0.927400473,0.857060831,0.563814301,0.226689603,0.290393173,0.208483662,0.198245693,4.091058708,4.910872431,10.83530384,0.345721451,0.697122529,2.590064306,1.157738829,1.093210743,0.535025177,0.23915214,0.36639792,0.325244506,0.322543466,4.841013878,7.095756667,15.21489198,0.302537765,1.014185892,2.980860043,1.475276202,1.418767556,0.507388741,0.251114955,0.485716127,0.528810661,0.543254039,5.874903802,10.71981342,22.83387791,0.261083111,1.557780827,2.712401223,1.257144162,1.195125647,0.525183735,0.243412243,0.401937464,0.38365644,0.385485102,5.164671032,8.153984858,17.39389017,0.287775603,1.171079007,3.047461322,1.52939099,1.474249839,0.503620869,0.252745856,0.507732642,0.568435041,0.586573778,6.051102152,11.40818368,24.33041035,0.255431303,1.662741461,2.987313591,1.478132416,1.422579255,0.507354072,0.251040434,0.487969133,0.531104188,0.546177002,5.888025262,10.76809591,22.93772622,0.261031108,1.565250322 +UMLKV0054,L,"2,2,3,4-TETRAMETHYLPENTANE",CC(C)C(C)C(C)(C)C,C9H20,Paraffin (non-normal),nonanes,1186-53-4,2.839369933,PubChem,,0.8119,0,2.2625,5.11890625,41.9299,29.17586,0,0,29,9,20,0,9,0,0,0,0,0,0,0,0,0,1318.698369,1396.254728,2040.028716,2082.370426,1501.592406,490.722624,54.867456,0,0,4433.327004,5682.867541,8395.389014,10512.31051,9726.981196,5809.040389,1678.522199,0,0,202.233924,202.676768,382.241712,512.706664,749.686488,619.031808,362.797056,0,0,33.9923581,44.5820862,68.19489573,90.23943317,94.19262374,64.09669202,24.00909686,0,0,4839.502245,4076.805803,8524.991155,11079.49256,18096.20164,15497.96493,9985.553209,0,0,49.11805556,57.61111111,87.33333333,132,163.5,126,54,0,0,45.47235755,49.86624029,37.77830956,28.92181147,13.90363339,5.4524736,1.016064,0,0,152.873345,202.9595551,155.4701669,146.0043127,90.0646407,64.54489321,31.08374443,0,0,6.973583586,7.238456,7.078550222,7.120925889,6.941541556,6.8781312,6.718464,0,0,1.172150279,1.592217364,1.262868439,1.253325461,0.872153924,0.712185467,0.444612905,0,0,166.8793878,145.6002072,157.8702066,153.8818411,167.5574226,172.1996103,184.917652,0,0,1.693726054,2.057539683,1.617283951,1.833333333,1.513888889,1.4,1,0,0,0.038452298,-0.011232038,0.016849612,-0.026355901,-0.007364728,-0.020615324,0.02949223,0,0,751.4441938,-57.58193056,278.9844536,-654.9944601,-268.6197061,-303.1688644,629.6584107,0,0,1397.342566,-107.0760587,518.7835045,-1217.990168,-499.5098139,-563.7554491,1170.876702,0,0,0.147202759,-0.011279905,0.054651139,-0.128308918,-0.052620756,-0.059388699,0.12334576,0,0,6.246771423,-0.478679803,2.319203643,-5.444982754,-2.233041279,-2.52024916,5.234363641,0,0,33.93256151,-2.600196285,12.597951,-29.57723274,-12.12991567,-13.69003344,28.43314637,0,0,4.635057471,-3.0614348,2.965467697,-2.16433809,0.33754459,-3.466557669,3.071789536,0,0,0.001325941,-4.01E-04,3.12E-04,-3.66E-04,-6.82E-05,-2.29E-04,5.46E-04,0,0,25.91186875,-2.05649752,5.16637877,-9.097145279,-2.487219501,-3.368542938,11.66034094,0,0,48.18422642,-3.824144954,9.607101934,-16.91653011,-4.625090869,-6.263949435,21.68290189,0,0,0.005075957,-4.03E-04,0.001012058,-0.001782068,-4.87E-04,-6.60E-04,0.002284181,0,0,0.215405911,-0.017095707,0.042948216,-0.07562476,-0.020676308,-0.028002768,0.09693266,0,0,1.170088328,-0.092864153,0.233295389,-0.410794899,-0.112314034,-0.152111483,0.526539748,0,0,0.159829568,-0.109336957,0.054916068,-0.030060251,0.003125413,-0.038517307,0.056884991,0,0,-0.302535435,0.235327046,-0.276071176,-0.051429068,-0.172752103,0.41189787,0,0,-0.079365079,0.199382716,-0.351080247,-0.095987654,-0.13,0.45,0,0,-0.079365079,0.199382716,-0.351080247,-0.095987654,-0.13,0.45,0,0,-0.079365079,0.199382716,-0.351080247,-0.095987654,-0.13,0.45,0,0,-0.079365079,0.199382716,-0.351080247,-0.095987654,-0.13,0.45,0,0,-0.079365079,0.199382716,-0.351080247,-0.095987654,-0.13,0.45,0,0,-0.684084669,0.343591422,-0.18807691,0.01955466,-0.240989874,0.355910312,0,0,1.837305401,0.755852172,1.535572039,1.013691714,1.041091579,2.40E-05,0,0,1.611111111,1.002469136,1.629012346,1.002469136,0.902222222,0,0,0,1.611111111,1.002469136,1.629012346,1.002469136,0.902222222,0,0,0,1.611111111,1.002469136,1.629012346,1.002469136,0.902222222,0,0,0,1.611111111,1.002469136,1.629012346,1.002469136,0.902222222,0,0,0,1.611111111,1.002469136,1.629012346,1.002469136,0.902222222,0,0,0,2.292312461,0.452136576,1.456042915,0.961372873,1.208183509,0,0,0,39.45130032,19.72565016,28.14907848,39.45130032,4.383477813,19.72565017,0,0.060644455,0.006738273,-2.522454366,56.32649742,6.258499713,3.628048564,39.45130032,19.72565016,28.14907848,39.45130032,4.383477813,19.72565017,0,0.060644455,0.006738273,-2.522454366,56.32649742,6.258499713,3.628048564,39.45130032,19.72565016,28.14907848,39.45130032,4.383477813,19.72565017,0,0.060644455,0.006738273,-2.522454366,56.32649742,6.258499713,3.628048564,39.45130032,19.72565016,28.14907848,39.45130032,4.383477813,19.72565017,0,0.060644455,0.006738273,-2.522454366,56.32649742,6.258499713,3.628048564,39.45130032,19.72565016,28.14907848,39.45130032,4.383477813,19.72565017,0,0.060644455,0.006738273,-2.522454366,56.32649742,6.258499713,3.628048564,39.45130032,19.72565016,28.14907848,39.45130032,4.383477813,19.72565017,0,0.060644455,0.006738273,-2.522454366,56.32649742,6.258499713,3.628048564,58.38564988,29.00625087,43.38955505,58.09542355,6.455047061,29.00625087,-0.373148148,0.055446373,0.006160708,-2.603105083,45.73444663,5.081605181,3.440566593,0,11.89,12.11013444,-0.158056298,0.063475296,6.2263125,9.532763265,8,28,28,28,8,0,0,0,0,0,21.86414,3.646506526,3.184258224,2.67652113,2.333552793,2.333552793,2.333552793,1.681715653,0.988632789,1.978414179,1.70175157,1.422180562,1.249629723,1.249629723,1.249629723,0.722662184,0.33543233,3.667509101,3.219058003,2.731172815,2.405454588,2.405454588,2.405454588,1.765181313,1.100702518,1.927133527,1.626972799,1.322867456,1.134540686,1.134540686,1.134540686,0.594965888,0.177603262,3.762200727,3.373172194,2.965395565,2.704236987,2.704236987,2.704236987,2.109580265,1.557698955,1.78156873,1.404007126,1.010663632,0.76031856,0.76031856,0.76031856,0.173595437,0.358764165,3.683105957,3.244778805,2.771168002,2.457539916,2.457539916,2.457539916,1.825550587,1.181551443,1.894940357,1.579031026,1.25785927,1.058262671,1.058262671,1.058262671,0.509871506,0.071218799,3.809722321,3.448358051,3.074846736,2.838982085,2.838982085,2.838982085,2.263003673,1.757033774,1.737842229,1.334034958,0.907168547,0.631337262,0.631337262,0.631337262,0.026039321,0.552062456,3.625387793,3.276745857,2.87363187,2.603141049,2.603141049,2.603141049,1.858572615,1.223934103,1.942063301,1.528442021,1.140960293,0.90680597,0.90680597,0.90680597,0.442591514,0.017588303,0,0,0,0,0,6,0,2,1,0,0,0,0,0,0,0,0,0,0,1.866025404,0.288675135,0.666666667,0.166666667,1.866025404,0.288675135,0.666666667,0.166666667,2.699358737,2.955341801,2.333333333,2.699358737,2.955341801,2.333333333,7.654700538,3.854059275,4.398717474,2.366025404,1,0,0,0,0.850522282,0.481757409,0.36655979,0.23660254,0.166666667,0,0,0,7.654700538,3.854059275,4.398717474,2.366025404,1,0,0,0,0.850522282,0.481757409,0.36655979,0.23660254,0.166666667,0,0,0,14.41827804,27.87836854,26.25490196,26.6,16.98554491,223.5398563,0.497182001,0.961323053,0.905341447,0.917241379,0.585708445,7.708270906,3.3246,43.457,19.72565016,28.14907848,39.45130032,4.383477813,19.72565017,0.060644455,0.006738273,-2.522454366,56.32649742,6.258499713,3.628048564,50,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,2,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,13.80902778,0,0,0,0,0,1.627314815,0,0,0,0,0,0.480324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.287615741,0,0,0,0,0,0.810185185,0,0,0,0,0,0.480324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.324074074,0,0,0,0,0,0.81712963,0,0,0,0,0,0.480324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.91666667,1.768518519,0.2,2.324074074,0,0.480324074,6.774788194,0.769675926,0.324074074,3.618055556,0.769675926,0.324074074,3.618055556,4.5,0.5,0,0,0.42414,0.7,0.42414,0.42414,0.7,0,0,0,0,0.71429,0,0,0.66667,0.22222,0.11111,4,0.44444,4,0.44444,0,0,-4,-0.44444,0,0,12.05777,1.33975,12.05777,0,0,3.85405,0.42823,3.85405,0,0,0.55995,0.06222,0.55995,0.06222,0,8,0,0,0,0,0,0,1,0.893571102,1.273555585,1.872862891,2.562518063,2.77498596,2.104919616,25.91356195,36.93311196,54.31302383,74.31302383,80.47459284,61.04266886,0.183938781,0.262157383,0.385522894,0.527486226,0.57122207,0.433291036,3.964409893,3.58442541,2.985118104,2.295462932,2.082995035,2.753061379,0.185875833,0.264918153,0.389582821,0.533041164,0.577237588,0.437854007,6.65913786,11.21895166,14.85527269,15.55032444,14.96729726,8.767872753,35.68332321,28.52181327,23.42385246,24.96933408,21.19008725,18.00727211,9,2.722222222,2.88,9,0,5,2.45,1.3767,4.965376435,0,6.447419591,3.706288023,0,0,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0.003,0.172,0.151,-0.03,-0.011,3.397,12,10,6,0,0,0,0,0,0,45,2.197224577,2.564949357,2.397895273,1.945910149,0,0,0,0,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,8,1,1,2,4,1,4,1.777777778,0.75,0,0,0,0,0,0,0,0.5,0.148148148,0.075,0,0,0,0,0,0,0,0.723148148,19.72565016,28.14907848,39.45130032,4.383477813,19.72565017,0.060644455,0.006738273,-2.522454366,56.32649742,6.258499713,3.628048564,0,164.2203203,4.169925001,3.713572067,4.442651256,5.303304908,6.061456919,6.922643891,7.685703061,8.547334348,9.311542252,10.17324748,79.16145618,2.833213344,0,4.17438727,0,5.680172609,0,7.250635512,0,8.850374304,9.078635881,128.1565006,4.419189677,16.10498486,1.789442762,0,0,0,86,10,5.315,40,1.230142857,2.120154148,2.952967813,3.489872113,4.081190406,4.591750132,0,0,0,0,72.40063676,91.94784973,91.82274885,53.16755906,23.22135752,4.665512006,0,0,0,0,275.5059647,362.9191552,448.0226514,330.4838307,270.7268784,142.7287876,0,0,0,0,8.939719117,15.08085658,21.06025551,24.2734372,28.10582944,30.84950796,0,0,0,0,2.098837641,2.879026165,3.799607921,3.151235667,2.964994062,2.041551365,0,0,0,0,176.9060838,329.4751856,452.1651878,581.1048886,700.0021707,849.0956531,0,0,0,0,2.56744246,3.599440034,5.508277143,5.413499216,5.80101419,4.591750132,0,0,0,0,0.435567857,0.603192425,0.803810019,0.681505281,0.65456165,0.470195214,0,0,0,0,376.3402852,181.0690244,8.960611731,108.4663989,-52.18656042,-6.318792647,267.8738863,233.2555849,15.27940438,0.776268763,0.373487063,0.018482855,0.223731237,-0.107644061,-0.013033634,182.4522857,87.78347332,4.34416446,52.58523517,-25.30039331,-3.06339291,0.06353731,0.129705716,0.933302084,6.196107109,484.806684,0,1,0,496.6525532,22.28570289,7.919253116,690.3932748,26.27533586,8.838234442,980.8403469,31.31837076,9.935722211,1.229211372,1.011517918,481.6106227,376.6150436,232.9536732,1.278787534,2.067409439,1.616695021,4.132632552,3.22022378,6.424248771,0.99496967,5.578019498,7.631502748,3.551096181,40.02331929,6.810768108,12.89916177,14.65119171,26.04086416,9.897672268,8.193290961,2.327619589,1.126710559,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.468123876,7.591434383,0.193091475,14.28289769,3.02391529,1.537211842,0.982404067,1.322061479,1.146522842,0.094888476,0.016394683,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.511161362,7.599556046,0.692462485,18.1417444,3.307322123,3.085495787,2.937008825,4.716043056,1.974195857,0.696870127,0.170836854,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.265194943,7.629029575,3.27969637,37.95389038,6.405745845,11.93086104,13.51883098,23.94329664,9.022804056,7.325677065,2.073867884,1.003878823,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.227174239,7.605148281,1.090512866,21.20502171,3.647235663,4.377249925,4.526856865,7.536314985,2.827002492,1.422197568,0.371077845,0.17962281,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.736268483,7.640682745,4.630707059,48.24595008,8.507031849,16.79400831,19.17940834,34.47064147,13.52197112,11.82786599,3.394610932,1.64320146,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.447999757,5.772791937,1.384434209,25.39883445,4.426245734,7.052401059,6.906505467,12.01813266,4.67879832,2.774259372,0.74420978,0.360241001,2.57E-15,3.53E-51,9.34E-109,4.78E-188,4.71E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.10723493,1.974865762,0.984233599,0.512209644,0.325545159,0.48688536,0.499319273,0.457652925,6.066334291,11.13834613,23.2443038,0.268314467,1.443857558,2.439404448,1.318444181,0.499193456,0.573028032,0.309708984,0.299952096,0.222260607,0.117754485,4.257042085,5.092112045,10.95466941,0.359542048,0.639967188,2.713555342,1.587905438,0.698398041,0.542726393,0.317590055,0.371225996,0.322576511,0.230468082,4.999858822,7.31300107,15.32216576,0.314089589,0.924270588,3.09157191,1.959470124,0.972865651,0.513217013,0.32528223,0.481983771,0.491551001,0.447144967,6.023907686,10.97182809,22.88920295,0.26982552,1.42067974,2.831884028,1.704214031,0.784337192,0.532265481,0.320314777,0.404339724,0.371648401,0.290664525,5.320435252,8.383966912,17.48972051,0.298398221,1.06665265,3.156002347,2.022800537,1.019626012,0.50916166,0.326340847,0.50230589,0.523896852,0.491148832,6.198428895,11.66440537,24.37208924,0.26374249,1.517351574,3.098413823,1.965367251,0.974644683,0.513116158,0.32547676,0.484130394,0.494533519,0.448796256,6.038425757,11.02490836,22.99845343,0.269674237,1.427460169 +UMLKV0055,L,"2,2,4,4-TETRAMETHYLPENTANE",CC(C)(C)CC(C)(C)C,C9H20,Paraffin (non-normal),nonanes,1070-87-7,2.836092545,PubChem,,0.8119,0,3.5686,12.73490596,42.8546,29.17586,0,0,29,9,20,0,9,0,0,0,0,0,0,0,0,0,1318.698369,1396.254728,2161.094725,1664.652534,1607.750433,653.782752,82.301184,0,0,4433.327004,5682.867541,8620.516427,10113.71809,8674.448209,6195.777284,2517.783299,0,0,202.233924,202.676768,382.265428,515.006808,800.64378,384.352128,544.195584,0,0,33.9923581,44.5820862,69.20132001,90.22732446,85.15905902,60.13139274,36.01364529,0,0,4839.502245,4076.805803,8530.458067,10866.85429,20539.94375,8268.617576,14978.32981,0,0,49.375,57.75,90.0625,138,148.5,108,81,0,0,45.47235755,49.86624029,40.02027269,23.12017408,13.74145669,12.107088,1.016064,0,0,152.873345,202.9595551,159.6391931,140.4683068,74.14058298,114.7366164,31.08374443,0,0,6.973583586,7.238456,7.078989407,7.152872333,6.843109231,7.117632,6.718464,0,0,1.172150279,1.592217364,1.281505926,1.253157284,0.727855205,1.11354431,0.444612905,0,0,166.8793878,145.6002072,157.9714457,150.9285317,175.5550748,153.1225477,184.917652,0,0,1.702586207,2.0625,1.667824074,1.916666667,1.269230769,2,1,0,0,0.037718681,-0.011140365,0.02942634,-0.075470997,0.069795956,-0.076166024,0.044695749,0,0,751.4441938,-57.58193056,400.0504626,-1364.691754,1101.254422,-1399.240913,944.487616,0,0,1397.342566,-107.0760587,743.9109179,-2537.702591,2047.829623,-2601.948227,1756.315053,0,0,0.147202759,-0.011279905,0.078367139,-0.267333746,0.215728181,-0.274101688,0.18501864,0,0,6.246771423,-0.478679803,3.325627928,-11.34471132,9.154751224,-11.6319192,7.851545461,0,0,33.93256151,-2.600196285,18.06486369,-61.62465195,49.72875394,-63.18476972,42.64971956,0,0,4.685344828,-3.377229489,5.69151308,-9.873959572,10.38585018,-9.8882283,4.719381688,0,0,0.001300644,-3.98E-04,5.45E-04,-0.001048208,5.97E-04,-0.001410482,5.52E-04,0,0,25.91186875,-2.05649752,7.408341899,-18.95405214,9.412430957,-25.91186875,11.66034094,0,0,48.18422642,-3.824144954,13.77612811,-35.24586933,17.50281729,-48.18422642,21.68290189,0,0,0.005075957,-4.03E-04,0.001451243,-0.003712969,0.001843831,-0.005075957,0.002284181,0,0,0.215405911,-0.017095707,0.061585702,-0.157565435,0.078245737,-0.215405911,0.09693266,0,0,1.170088328,-0.092864153,0.334534513,-0.855897944,0.425032085,-1.170088328,0.526539748,0,0,0.161563615,-0.120615339,0.10539839,-0.137138327,0.08876795,-0.183115339,0.058263971,0,0,-0.305902396,0.418971026,-0.805914729,0.458654755,-1.084448741,0.424250837,0,0,-0.079365079,0.28590535,-0.731481481,0.363247863,-1,0.45,0,0,-0.079365079,0.28590535,-0.731481481,0.363247863,-1,0.45,0,0,-0.079365079,0.28590535,-0.731481481,0.363247863,-1,0.45,0,0,-0.079365079,0.28590535,-0.731481481,0.363247863,-1,0.45,0,0,-0.079365079,0.28590535,-0.731481481,0.363247863,-1,0.45,0,0,-0.746550138,0.652364646,-0.848819381,0.54943033,-1.133394664,0.360625575,0,0,1.840030258,0.583174174,2.198248752,0.212389892,2.590078146,0,0,0,1.611111111,0.918930041,2.067592593,0.347008547,2.255555556,0,0,0,1.611111111,0.918930041,2.067592593,0.347008547,2.255555556,0,0,0,1.611111111,0.918930041,2.067592593,0.347008547,2.255555556,0,0,0,1.611111111,0.918930041,2.067592593,0.347008547,2.255555556,0,0,0,1.611111111,0.918930041,2.067592593,0.347008547,2.255555556,0,0,0,2.34774609,0.159085488,2.318843913,0.028731158,2.988040478,0,0,0,40.2526384,20.1263192,29.7088949,40.2526384,4.472515378,20.12631921,1.07E-14,3.33E-16,3.70E-17,-32.07436945,2000018.164,222224.2405,13.05780014,40.2526384,20.1263192,29.7088949,40.2526384,4.472515378,20.12631921,1.07E-14,3.33E-16,3.70E-17,-32.07436945,2000018.164,222224.2405,13.05780014,40.2526384,20.1263192,29.7088949,40.2526384,4.472515378,20.12631921,1.07E-14,3.33E-16,3.70E-17,-32.07436945,2000018.164,222224.2405,13.05780014,40.2526384,20.1263192,29.7088949,40.2526384,4.472515378,20.12631921,1.07E-14,3.33E-16,3.70E-17,-32.07436945,2000018.164,222224.2405,13.05780014,40.2526384,20.1263192,29.7088949,40.2526384,4.472515378,20.12631921,1.07E-14,3.33E-16,3.70E-17,-32.07436945,2000018.164,222224.2405,13.05780014,40.2526384,20.1263192,29.7088949,40.2526384,4.472515378,20.12631921,1.07E-14,3.33E-16,3.70E-17,-32.07436945,2000018.164,222224.2405,13.05780014,58.64034692,29.13869198,44.593334,58.3580424,6.484226933,29.13869198,-0.362962963,4.44E-16,4.93E-17,-31.81545559,2000017.649,222224.1833,13.05779991,0,11.89,12.11013444,-0.159226403,0.06208139,6.536658433,9.218630968,8,28,28,28,8,0,0,0,0,0,21.86414,3.637282007,3.266371875,2.333552793,2.333552793,2.333552793,2.333552793,2.14936441,0.557419421,1.974892075,1.739868226,1.249629723,1.249629723,1.249629723,1.249629723,1.048930994,0.083923071,3.658753114,3.297227287,2.405454588,2.405454588,2.405454588,2.405454588,2.217766728,0.64335249,1.922967344,1.669665875,1.134540686,1.134540686,1.134540686,1.134540686,0.933620224,0.270913902,3.755381836,3.43566814,2.704236987,2.704236987,2.704236987,2.704236987,2.507077934,0.971962888,1.775109076,1.4637126,0.76031856,0.76031856,0.76031856,0.76031856,0.562129754,0.943918427,3.674689108,3.32012911,2.457539916,2.457539916,2.457539916,2.457539916,2.267644441,0.704087041,1.890327588,1.624938906,1.058262671,1.058262671,1.058262671,1.058262671,0.857422689,0.399277246,3.803761995,3.504244805,2.838982085,2.838982085,2.838982085,2.838982085,2.639666545,1.207644823,1.730553434,1.40023621,0.631337262,0.631337262,0.631337262,0.631337262,0.435831157,1.103636228,3.62224823,3.341548665,2.598486893,2.598486893,2.598486893,2.598486893,2.291638041,0.633217703,1.930610236,1.584141368,0.910986893,0.910986893,0.910986893,0.910986893,0.795988047,0.5625,0,0,0,0,0,6,1,0,2,0,0,0,0,0,0,0,0,0,0,3.121320344,0.707106781,0,0,3.121320344,0.707106781,0,0,1.060660172,3.535533906,2.651650429,1.060660172,3.535533906,2.651650429,7.707106781,3.707106781,5.298097039,1.060660172,1.590990258,0,0,0,0.856345198,0.463388348,0.407545926,0.176776695,0.176776695,0,0,0,7.707106781,3.707106781,5.298097039,1.060660172,1.590990258,0,0,0,0.856345198,0.463388348,0.407545926,0.176776695,0.176776695,0,0,0,14.41827804,27.87836854,26.25490196,26.6,16.98554491,223.5398563,0.497182001,0.961323053,0.905341447,0.917241379,0.585708445,7.708270906,3.4687,43.527,20.1263192,29.7088949,40.2526384,4.472515378,20.12631921,3.33E-16,3.70E-17,-32.07436945,2000018.164,222224.2405,13.05780014,52,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,6,0,1,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,13.73958333,0,1.291666667,0,0,0,0,0,0,0,0,0,0.96875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.289930556,0,1.291666667,0,0,0,0,0,0,0,0,0,0.484375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.289930556,0,1.291666667,0,0,0,0,0,0,0,0,0,0.484375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,1.777777778,0.2,2.289930556,0,0.484375,6.795427083,0.765625,0.289930556,3.479166667,0.765625,0.289930556,3.479166667,4.5,0.5,0,0,0.42414,0.7,0.42414,0.42414,0.7,0,0,0,0,0.71429,0,0,0.66667,0,0.22222,4,0.44444,4,0.44444,0,0,-4,-0.44444,0,0,12.20343,1.35594,12.20343,0,0,3.70711,0.4119,3.70711,0,0,0.70689,0.07854,0.70689,0.07854,0,8,0,0,0,0,0,0,1,0.893571102,1.273555585,1.597000822,1.597000822,1.429484236,0.897348926,25.91356195,36.93311196,46.31302383,46.31302383,41.45504283,26.02311885,0.183938781,0.262157383,0.328737561,0.328737561,0.294254802,0.184716434,3.964409893,3.58442541,3.260980173,3.260980173,3.428496759,3.960632069,0.185875833,0.264918153,0.332199483,0.332199483,0.297353588,0.186661676,6.65913786,11.21895166,11.54492786,11.54492786,9.534728831,6.07376733,35.68332321,28.52181327,29.34736174,29.34736174,28.34226223,24.61731506,9,2.319526627,8,9,0,5,2.45,1.3767,4.948154665,3,0,6.92820323,0,0,2,0,0,0.5,0,0,0,0,0,0,0,0,0,0.003,0.187,0.158,-0.031,-0.002,3.441,13,6,9,0,0,0,0,0,0,45,2.197224577,2.63905733,1.945910149,2.302585093,0,0,0,0,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,8,1,1,2,4,1,5.5,0.666666667,1.125,0,0,0,0,0,0,0,0.6875,0.051282051,0.1875,0,0,0,0,0,0,0,0.926282051,20.1263192,29.7088949,40.2526384,4.472515378,20.12631921,3.33E-16,3.70E-17,-32.07436945,2000018.164,222224.2405,13.05780014,0,164.2203203,4.169925001,3.761200116,4.394449155,5.351858133,5.993961427,6.957497371,7.601402335,8.566173814,9.210440367,10.17545936,79.01244208,2.833213344,0,4.234106505,0,5.720311777,0,7.253470383,0,8.815370001,9.053218616,128.1565006,4.419189677,16.04901695,1.783224106,0,0,0,88,6,5.413,42,1.230142857,2.119673424,2.976526942,3.423304097,4.102645818,4.378228012,0,0,0,0,72.40063676,97.65536869,71.51899383,51.48699834,49.67109395,4.448559866,0,0,0,0,275.5059647,374.2696449,424.4188954,267.324125,470.7236993,136.0917206,0,0,0,0,8.939719117,15.08347624,21.29936058,23.45999014,29.20112316,29.41496728,0,0,0,0,2.098837641,2.933136458,3.764299206,2.576677797,4.568477907,1.946616674,0,0,0,0,176.9060838,329.2591553,448.704716,598.4884523,628.20758,809.6116439,0,0,0,0,2.570116071,3.746690701,5.718414001,4.438515687,8.205291636,4.378228012,0,0,0,0,0.435567857,0.613298833,0.800952242,0.561016411,0.984634996,0.448330548,0,0,0,0,378.5303679,180.903715,9.036483461,101.1388631,-48.33534538,-5.780398701,277.3915048,229.2390604,14.81688216,0.789148737,0.377142629,0.018838989,0.210851263,-0.100768076,-0.012050802,181.5693705,86.77394589,4.334523073,48.51320069,-23.18497795,-2.7726794,0.057629302,0.125640647,1.028826707,5.863623708,479.669231,0,1,0,496.6525532,22.28570289,7.919253116,690.3932748,26.27533586,8.838234442,993.3355326,31.51722597,9.977735575,1.404310375,1.404310375,442.7466394,428.975429,205.9318705,1.032102562,2.149966581,2.083093928,4.079761614,3.22022378,6.424248771,0.99496967,5.578027927,7.674814032,3.575466702,35.29161855,4.184698701,23.0818863,13.27839338,16.22815592,6.854772286,9.517738412,3.049385899,1.126710562,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.468123935,7.595066678,0.183259016,15.85439531,2.023160727,3.162702851,0.462790408,0.852063904,1.174296811,0.104254175,0.021478143,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.511161981,7.611283199,0.668548667,18.72277938,2.203963199,6.247731687,1.724501599,2.92568797,1.877282309,0.794173438,0.223810417,0.082694181,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.265202453,7.669910159,3.294521647,33.71283659,3.960245222,21.51543782,12.01475084,14.91009356,6.345515764,8.505761725,2.716948672,1.003878826,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.227175583,7.622433626,1.063186654,21.01820073,2.405400591,8.65675713,2.992724686,4.665375776,2.495410245,1.633461067,0.486143504,0.17962281,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.736280776,7.692995616,4.698879783,41.57864645,5.120350691,29.27574412,18.50105288,21.53611782,8.923693227,13.75932578,4.447239263,1.643201464,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.441594585,5.681859431,1.294035556,25.09957784,2.342752025,13.54701525,4.51459486,7.013912136,3.869904118,3.164653907,0.964849154,0.356498264,2.54E-15,3.49E-51,9.25E-109,4.73E-188,4.66E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.248024681,1.432255458,1.28208603,0.544754312,0.240215951,0.517896403,0.553632324,0.466165305,5.962366169,10.65252286,22.57915463,0.317131468,1.537694032,2.59744678,0.857060831,0.751201172,0.617600246,0.203785111,0.331205522,0.198245693,0.160036161,4.205708783,4.821200063,10.69921028,0.426400369,0.689487377,2.864545788,1.093210744,0.96915942,0.58140748,0.221885405,0.40282442,0.322543466,0.266376589,4.926915951,6.967249254,14.92913855,0.37211122,0.991744475,3.232769095,1.418767557,1.269637161,0.545967607,0.239609172,0.513042833,0.543254039,0.457156461,5.921173813,10.4923117,22.23673718,0.31895141,1.513453333,2.979817351,1.195125647,1.06322337,0.568866497,0.228157253,0.435896661,0.385485103,0.320593446,5.238166368,8.000153103,17.02473022,0.353299745,1.14197521,3.295522719,1.47424984,1.3208454,0.541081831,0.242052588,0.533154247,0.586573778,0.494777096,6.090617959,11.15855598,23.66640072,0.311622747,1.614505122,3.239440274,1.422579255,1.271537213,0.545952523,0.239751521,0.515162459,0.546177002,0.458525783,5.933556742,10.53629185,22.3295505,0.318928785,1.519865244 +UMLKV0056,L,CYCLOPROPANE,C1CC1,C3H6,Naphthene - major structure is saturated ring,Naphthenes,75-19-4,1.832581464,PubChem,,0.2488,0,-0.864,0.746496,8.7348,9.280758,0,0,9,3,6,0,3,0,0,0,0,0,0,0,0,0,438.888747,505.434891,148.333248,12.192768,0,0,0,0,0,1457.053172,1958.970403,1470.09063,373.0049332,0,0,0,0,0,62.932332,65.32734,105.566976,80.621568,0,0,0,0,0,11.03437743,15.04796586,14.69637043,5.335354858,0,0,0,0,0,1489.88898,1299.118355,2392.223529,2219.011824,0,0,0,0,0,12.75,15.75,21,12,0,0,0,0,0,48.76541633,56.15943233,9.8888832,1.016064,0,0,0,0,0,161.8947969,217.6633782,98.00604198,31.08374443,0,0,0,0,0,6.992481333,7.258593333,7.0377984,6.718464,0,0,0,0,0,1.226041937,1.671996207,0.979758029,0.444612905,0,0,0,0,0,165.54322,144.3464838,159.4815686,184.917652,0,0,0,0,0,1.416666667,1.75,1.4,1,0,0,0,0,0,0.012544065,1.73E-18,-0.014634742,0.00836271,0,0,0,0,0,242.132018,-1.07E-13,-282.4873543,161.4213453,0,0,0,0,0,450.2548269,0,-525.297298,300.1698846,0,0,0,0,0,0.047432,6.78E-16,-0.055337333,0.031621333,0,0,0,0,0,2.01284857,-8.88E-16,-2.348323331,1.341899046,0,0,0,0,0,10.93382538,3.24E-14,-12.75612961,7.289216918,0,0,0,0,0,0.5,-1.80E-16,-0.583333333,0.333333333,0,0,0,0,0,0.001393785,1.93E-19,-9.76E-04,6.97E-04,0,0,0,0,0,26.90355756,-1.18E-14,-18.83249029,13.45177878,0,0,0,0,0,50.0283141,0,-35.01981987,25.01415705,0,0,0,0,0,0.005270222,7.54E-17,-0.003689156,0.002635111,0,0,0,0,0,0.223649841,-9.87E-17,-0.156554889,0.111824921,0,0,0,0,0,1.214869486,3.60E-15,-0.85040864,0.607434743,0,0,0,0,0,0.055555556,-2.00E-17,-0.038888889,0.027777778,0,0,0,0,0,1.38E-16,-0.7,0.5,0,0,0,0,0,-4.40E-16,-0.7,0.5,0,0,0,0,0,0,-0.7,0.5,0,0,0,0,0,1.43E-14,-0.7,0.5,0,0,0,0,0,-4.41E-16,-0.7,0.5,0,0,0,0,0,2.96E-15,-0.7,0.5,0,0,0,0,0,-3.61E-16,-0.7,0.5,0,0,0,0,0,1.333333333,1.6,0,0,0,0,0,0,1.333333333,1.6,0,0,0,0,0,0,1.333333333,1.6,0,0,0,0,0,0,1.333333333,1.6,0,0,0,0,0,0,1.333333333,1.6,0,0,0,0,0,0,1.333333333,1.6,0,0,0,0,0,0,1.333333333,1.6,0,0,0,0,0,0,4,2,3,4,1.333333333,2.210997623,0,2.22E-16,7.40E-17,-10.81309602,5.913591358,1.971197119,0.533175996,4,2,3,4,1.333333333,2.210997623,0,2.22E-16,7.40E-17,-10.81309602,5.913591358,1.971197119,0.533175996,4,2,3,4,1.333333333,2.210997623,0,2.22E-16,7.40E-17,-10.81309602,5.913591358,1.971197119,0.533175996,4,2,3,4,1.333333333,2.210997623,0,2.22E-16,7.40E-17,-10.81309602,5.913591358,1.971197119,0.533175996,4,2,3,4,1.333333333,2.210997623,0,2.22E-16,7.40E-17,-10.81309602,5.913591358,1.971197119,0.533175996,4,2,3,4,1.333333333,2.210997623,0,2.22E-16,7.40E-17,-10.81309602,5.913591358,1.971197119,0.533175996,4,2,3,4,1.333333333,2.210997623,0,2.22E-16,7.40E-17,-10.81309602,5.913591358,1.971197119,0.533175996,0,11.9,12.10002,-0.152797442,0.047222554,4.64,4.840019996,3,9,9,9,3,0,0,0,0,0,6.559242,3.573186822,1.456797487,1.456797487,0.083923071,0.083923071,0.083923071,0.489263751,1.372874417,1.372874417,1.372874417,0.489263751,0.083923071,0.083923071,0.083923071,1.456797487,1.456797487,3.600648477,1.556142907,1.556142907,0.270913902,0.270913902,0.270913902,0.329734575,1.285229005,1.285229005,1.285229005,0.329734575,0.270913902,0.270913902,0.270913902,1.556142907,1.556142907,3.72034929,1.9628467,1.9628467,0.943918427,0.943918427,0.943918427,0.223569137,1.018928274,1.018928274,1.018928274,0.223569137,0.943918427,0.943918427,0.943918427,1.9628467,1.9628467,3.620820476,1.62787375,1.62787375,0.399277246,0.399277246,0.399277246,0.22154323,1.228596505,1.228596505,1.228596505,0.22154323,0.399277246,0.399277246,0.399277246,1.62787375,1.62787375,3.778078745,2.141548494,2.141548494,1.207644823,1.207644823,1.207644823,0.429566078,0.933903671,0.933903671,0.933903671,0.429566078,1.207644823,1.207644823,1.207644823,2.141548494,2.141548494,3.666666667,1.786299648,1.786299648,0.666666667,0.666666667,0.666666667,6.66E-16,1.119632981,1.119632981,1.119632981,6.66E-16,0.666666667,0.666666667,0.666666667,1.786299648,1.786299648,0,0,0,0,0,0,3,0,0,0.353553391,0,0,0,0,0.353553391,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.121320344,1.5,1.060660172,0,0,0,0,0,0.707106781,0.5,0.353553391,0,0,0,0,0,2.121320344,1.5,1.060660172,0,0,0,0,0,0.707106781,0.5,0.353553391,0,0,0,0,0,4.625483411,8.663510561,8.176470588,8.28,5.395663473,69.08476527,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.1703,13.851,4,6,8,2.666666667,4.023006454,2.22E-16,7.40E-17,-10.81309602,5.913591358,1.971197119,0.533175996,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.6,0,0,0,0,0,0,0,0,0,0,0,0,0,4.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.5,1.5,0.2,1.5,0.2,1.5,2.169,0,0,0,0,0,0,1.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0,0,0,1.5,0.5,1.5,0.5,0,0,-1.5,-0.5,0,0,1.5,0.5,1.5,0,0,1.5,0.5,1.5,0,0,0,0,0.086,0.02867,0.333333333,3,0,0,0,0,0,0,1,0.918295834,0.918295834,0.918295834,0.918295834,0.389975,0,8.264662506,8.264662506,8.264662506,8.264662506,3.509775004,0,0.289690082,0.289690082,0.289690082,0.289690082,0.123023415,0,2.251629167,2.251629167,2.251629167,2.251629167,2.779950001,3.169925001,0.289690082,0.289690082,0.289690082,0.289690082,0.123023415,0,6.73287657,6.73287657,6.73287657,6.73287657,0.393026567,0,11.84962501,11.84962501,11.84962501,11.84962501,2.339850003,0,1.333333333,0.222222222,0,0,0,0,1.79,0.4227,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.071,0.064,0.277,0.248,1.627,3,0,0,0,0,0,0,0,0,9,1.386294361,1.386294361,0,0,0,0,0,0,0,0,2.302585093,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,3,4,1.333333333,2.210997623,2.22E-16,7.40E-17,-10.81309602,5.913591358,1.971197119,0.533175996,0,48.08795388,2.584962501,2.564949357,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,53.47937826,1.945910149,1.945910149,2.944438979,3.433987204,4.204692619,4.844187086,5.556828062,6.23636959,6.93439721,7.625595072,42.04695019,4.671883355,5.25,1.75,0,0,0,3,0,1.707,12,1.202874771,2.108024632,2.803050193,0,0,0,0,0,0,0,77.84997966,21.58820751,2.848078391,0,0,0,0,0,0,0,285.8808697,212.1971013,87.12929582,0,0,0,0,0,0,0,8.764128443,14.86256423,18.83219181,0,0,0,0,0,0,0,2.14173993,2.110118153,1.246272289,0,0,0,0,0,0,0,171.5793428,334.0633843,518.3334601,0,0,0,0,0,0,0,2.163468235,2.98469389,2.803050193,0,0,0,0,0,0,0,0.443127059,0.457121102,0.28703234,0,0,0,0,0,0,0,171.1582875,27.11015932,4.518359887,57.04785375,-9.035942267,-3.011980756,114.1104337,36.14610159,7.530340642,0.750016133,0.1187968,0.019799467,0.249983867,-0.039595526,-0.013198509,39.05937232,6.186704846,1.031117474,13.01867057,-2.062057517,-0.687352506,0.166666667,0.333333333,5.265047488,3.51176608,228.2061412,0,1,0,209.4428255,14.47213963,5.938660468,270.491023,16.44661129,6.467219761,209.4428255,14.47213963,5.938660468,1.062873959,1.052056139,37.59949686,24.26624877,22.84224659,1.549456499,1.646050738,1.062340724,2.028024656,2.18586549,3.115445623,0.425268681,2.863828837,1.983325268,0.404103969,5.337323884,3.057635279,7.93E-07,2.09E-34,1.11E-83,1.15E-154,2.27E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.240341347,1.981638206,0.032553642,0.037737553,0.021535175,5.58E-09,1.47E-36,7.85E-86,8.08E-157,1.60E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.775851075,1.981750966,0.105983271,0.392105364,0.22441313,5.82E-08,1.54E-35,8.18E-85,8.41E-156,1.67E-248,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.703220813,1.983140053,0.38050474,4.755560257,2.724297986,7.06E-07,1.86E-34,9.93E-84,1.02E-154,2.03E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.143461714,1.98189714,0.157106496,0.851345125,0.487455306,1.26E-07,3.34E-35,1.78E-84,1.83E-155,3.63E-248,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.45848806,1.984104067,0.492450021,7.783507939,4.459273694,1.16E-06,3.05E-34,1.63E-83,1.67E-154,3.32E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.909219238,1.982381402,0.265471545,2.37256696,1.358949013,3.52E-07,9.30E-35,4.95E-84,5.10E-155,1.01E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.849119661,0.794465879,0.524176,0.391703444,0.366491362,0.571418861,0.567854289,0.666666667,2.167761541,1.536124693,4.05749358,0.137292209,1.805939816,0.463980981,0.430125657,0.11300408,0.460705038,0.427088749,0.170614516,0.166446924,0.030984374,1.007110718,0.300607822,1.330270778,0.331690681,0.368045813,0.616945559,0.574829772,0.27630822,0.420238724,0.391551129,0.30165456,0.297279031,0.18524312,1.468083551,0.683935996,2.250009128,0.21768478,0.78417671,0.839584712,0.785445842,0.513996542,0.39250775,0.367197706,0.558657718,0.555033096,0.641024857,2.139027096,1.494708407,3.97268966,0.139558183,1.75471567,0.68512817,0.63933035,0.349099597,0.409384152,0.382018613,0.372014661,0.367736415,0.295701258,1.673558117,0.900391168,2.726863018,0.187104146,1.035452334,0.878971041,0.822705207,0.556045166,0.389317759,0.364396246,0.612302405,0.608940646,0.750195777,2.257721414,1.669342903,4.329159511,0.130571007,1.971438829,0.842105547,0.787830546,0.516687771,0.392293015,0.367009125,0.562017476,0.558408508,0.647755102,2.146623865,1.505604521,3.995017899,0.138953209,1.768181086 +UMLKV0057,L,CYCLOBUTANE,C1CCC1,C4H8,Naphthene - major structure is saturated ring,Naphthenes,287-23-0,2.140066163,PubChem,,0.3571,0,-1.152,1.327104,11.6464,12.374344,0,0,12,4,8,0,4,0,0,0,0,0,0,0,0,0,585.184996,673.913188,486.305906,113.113728,8.128512,0,0,0,0,1942.737562,2611.960538,2807.154643,1415.232842,248.6699554,0,0,0,0,83.909776,87.10312,155.837,164.43648,53.747712,0,0,0,0,14.71250324,20.06395448,25.17296058,16.02216096,3.556903239,0,0,0,0,1986.518641,1732.157806,3443.220084,4183.662814,1479.341216,0,0,0,0,17,21,32.5,28,8,0,0,0,0,48.76541633,56.15943233,22.10481391,4.713072,1.016064,0,0,0,0,161.8947969,217.6633782,127.5979383,58.96803508,31.08374443,0,0,0,0,6.992481333,7.258593333,7.0835,6.85152,6.718464,0,0,0,0,1.226041937,1.671996207,1.144225481,0.66759004,0.444612905,0,0,0,0,165.54322,144.3464838,156.5100038,174.3192839,184.917652,0,0,0,0,1.416666667,1.75,1.477272727,1.166666667,1,0,0,0,0,0.016725419,1.73E-18,-0.013937849,-4.55E-18,0.00557514,0,0,0,0,322.8426907,-1.35E-13,-269.0355756,2.56E-13,107.6142302,0,0,0,0,600.3397692,0,-500.283141,1.42E-13,200.1132564,0,0,0,0,0.063242667,9.04E-16,-0.052702222,-9.03E-16,0.021080889,0,0,0,0,2.683798093,-1.11E-15,-2.236498411,7.49E-16,0.894599364,0,0,0,0,14.57843384,4.31E-14,-12.14869486,-4.71E-14,4.859477945,0,0,0,0,0.666666667,-2.36E-16,-0.555555556,1.25E-16,0.222222222,0,0,0,0,0.001393785,1.45E-19,-6.34E-04,-1.90E-19,6.97E-04,0,0,0,0,26.90355756,-1.13E-14,-12.2288898,1.07E-14,13.45177878,0,0,0,0,50.0283141,0,-22.74014277,5.92E-15,25.01415705,0,0,0,0,0.005270222,7.53E-17,-0.002395556,-3.76E-17,0.002635111,0,0,0,0,0.223649841,-9.25E-17,-0.101659019,3.12E-17,0.111824921,0,0,0,0,1.214869486,3.59E-15,-0.552213403,-1.96E-15,0.607434743,0,0,0,0,0.055555556,-1.97E-17,-0.025252525,5.20E-18,0.027777778,0,0,0,0,1.04E-16,-0.454545455,-1.36E-16,0.5,0,0,0,0,-4.18E-16,-0.454545455,3.96E-16,0.5,0,0,0,0,0,-0.454545455,1.18E-16,0.5,0,0,0,0,1.43E-14,-0.454545455,-7.14E-15,0.5,0,0,0,0,-4.14E-16,-0.454545455,1.40E-16,0.5,0,0,0,0,2.95E-15,-0.454545455,-1.61E-15,0.5,0,0,0,0,-3.54E-16,-0.454545455,9.37E-17,0.5,0,0,0,0,1.375,1.5,0.6875,0,0,0,0,0,1.375,1.5,0.6875,0,0,0,0,0,1.375,1.5,0.6875,0,0,0,0,0,1.375,1.5,0.6875,0,0,0,0,0,1.375,1.5,0.6875,0,0,0,0,0,1.375,1.5,0.6875,0,0,0,0,0,1.375,1.5,0.6875,0,0,0,0,0,8,4,6,8,2,4.040747223,-8.88E-16,0,0,0,4000000,1000000,6.080721968,8,4,6,8,2,4.040747223,-8.88E-16,0,0,0,4000000,1000000,6.080721968,8,4,6,8,2,4.040747223,-8.88E-16,0,0,0,4000000,1000000,6.080721968,8,4,6,8,2,4.040747223,-8.88E-16,0,0,0,4000000,1000000,6.080721968,8,4,6,8,2,4.040747223,-8.88E-16,0,0,0,4000000,1000000,6.080721968,8,4,6,8,2,4.040747223,-8.88E-16,0,0,0,4000000,1000000,6.080721968,8,4,6,8,2,4.040747223,-8.88E-16,0,0,0,4000000,1000000,6.080721968,0,11.9,12.10004039,-0.152797442,0.047242945,5.3655,5.565540388,4,12,12,12,4,0,0,0,0,0,8.745656,3.573186822,2.028500884,2.028500884,1.056465515,0.083923071,0.083923071,0.083923071,0.083923071,1.972542445,0.944577813,0.944577813,0.489263751,0.083923071,0.083923071,0.083923071,0.083923071,3.600648477,2.095899225,2.095899225,1.185878035,0.270913902,0.270913902,0.270913902,0.270913902,1.914964133,0.824985323,0.824985323,0.329734575,0.270913902,0.270913902,0.270913902,0.270913902,3.72034929,2.386450742,2.386450742,1.687973407,0.943918427,0.943918427,0.943918427,0.943918427,1.74405498,0.442532316,0.442532316,0.223569137,0.943918427,0.943918427,0.943918427,0.943918427,3.620820476,2.145396886,2.145396886,1.27745173,0.399277246,0.399277246,0.399277246,0.399277246,1.878174485,0.746119641,0.746119641,0.22154323,0.399277246,0.399277246,0.399277246,0.399277246,3.778078745,2.521841838,2.521841838,1.897819044,1.207644823,1.207644823,1.207644823,1.207644823,1.690174221,0.314197015,0.314197015,0.429566078,1.207644823,1.207644823,1.207644823,1.207644823,3.666666667,2.257333958,2.257333958,1.474809634,0.666666667,0.666666667,0.666666667,0.666666667,1.808142967,0.590667291,0.590667291,2.07E-16,0.666666667,0.666666667,0.666666667,0.666666667,0,0,0,0,0,0,4,0,0,0,0.25,0,0,0,0,0.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.828427125,2,1.414213562,1,0,0,0,0,0.707106781,0.5,0.353553391,0.25,0,0,0,0,2.828427125,2,1.414213562,1,0,0,0,0,0.707106781,0.5,0.353553391,0.25,0,0,0,0,6.167311215,11.55134741,10.90196078,11.04,7.194217964,92.11302036,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.5604,18.468,8,12,16,4,8.000432313,1.67E-16,4.16E-17,-14.53253418,8,2,0.831776617,16,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.8,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,1.5,0.2,1.5,0.2,1.5,2.892,0,0,0,0,0,0,2,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0,0,0,2,0.5,2,0.5,0,0,-2,-0.5,0,0,2.5,0.625,2.5,0,0,2,0.5,2,0,0,-0.086,-0.0215,0,0,0.333333333,4,0,0,0,0,0,0,1,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,0.389975,11.01955001,11.01955001,11.01955001,11.01955001,11.01955001,4.679700006,0.256152145,0.256152145,0.256152145,0.256152145,0.256152145,0.108780775,2.666666667,2.666666667,2.666666667,2.666666667,2.666666667,3.1949875,0.256152145,0.256152145,0.256152145,0.256152145,0.256152145,0.108780775,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,0.393026567,15.79950001,15.79950001,15.79950001,15.79950001,15.79950001,3.119800004,2.25,0.75,0.25,0,0,0,1.9,0.5636,0,0,0,0,4.762203156,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.071,0.064,0.277,0.248,2.126,4,4,0,0,0,0,0,0,0,16,1.609437912,1.609437912,1.609437912,0,0,0,0,0,0,0,2.833213344,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,6,8,2,4.040747223,0,0,0,4000000,1000000,6.080721968,0,65.3839385,3,2.833213344,3.496507561,4.17438727,4.859812404,5.549076085,6.240275845,6.932447892,7.625107148,8.318010278,58.02883783,2.197224577,0,3.496507561,0,4.859812404,0,6.240275845,0,7.625107148,7.913155186,56.06260026,4.671883355,7.5,1.875,0,0,0,8,0,2.276,16,1.34232285,2.359850631,3.071329502,3.81761717,0,0,0,0,0,0,95.58850751,54.27030009,14.83826343,3.878943372,0,0,0,0,0,0,339.3814427,311.7266143,183.8471468,118.6658365,0,0,0,0,0,0,9.808026997,16.75860224,21.05633514,25.64852352,0,0,0,0,0,0,2.500490273,2.778998244,2.072274493,1.69736186,0,0,0,0,0,0,189.7344796,366.0033344,534.3517153,705.9448035,0,0,0,0,0,0,2.463726412,3.54119225,3.599576312,3.81761717,0,0,0,0,0,0,0.515761603,0.592550644,0.459877663,0.390923998,0,0,0,0,0,0,283.7816352,59.93177782,7.491472228,110.258972,-23.28556677,-5.821391692,173.5226632,83.21734459,13.31286392,0.720183732,0.152095436,0.019011929,0.279816268,-0.059094333,-0.014773583,111.8214878,23.61555412,2.951944266,43.44651228,-9.175458869,-2.293864717,0.125,0.25,5.140610967,6.769322227,394.0406072,0,1,0,184.0412844,13.56618164,5.688159317,261.5375731,16.17212333,6.395061075,232.7559518,15.25634136,6.151300333,1.193675937,1.00141359,100.780395,66.36901874,54.21090708,1.518485537,1.859042773,1.224274271,2.827187646,3.280175242,4.420159017,0.347537461,2.231204427,0.668436232,2.148594605,4.613417367,4.610635913,3.113943234,0.890142909,0.529316799,2.50E-15,2.28E-51,4.02E-109,1.37E-188,8.95E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.187249527,0.66826781,2.000174747,0.527307205,0.12332105,0.127476352,0.006269354,0.003728021,1.76E-17,1.61E-53,2.83E-111,9.62E-191,6.30E-292,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.604464297,0.66827938,2.010948324,0.831092046,0.57180051,0.499710293,0.065331464,0.038848858,1.84E-16,1.68E-52,2.95E-110,1.00E-189,6.57E-291,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.106074973,0.668417852,2.132602182,4.175674068,4.170547776,2.847141071,0.793101309,0.471611739,2.23E-15,2.04E-51,3.58E-109,1.22E-188,7.97E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.890869158,0.668294094,2.024140556,1.19708114,1.018471249,0.825716583,0.14190866,0.084384911,3.99E-16,3.64E-52,6.41E-110,2.18E-189,1.43E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.694502476,0.668513446,2.215648894,6.44718331,6.427858427,4.197136364,1.298189762,0.771958806,3.65E-15,3.33E-51,5.87E-109,1.99E-188,1.31E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.487469618,0.66834245,2.066773737,2.371057808,2.311768185,1.689052267,0.395619083,0.235251911,1.11E-15,1.02E-51,1.79E-109,6.07E-189,3.98E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.552480554,1.259338752,0.631352956,0.450886693,0.365749563,0.415206489,0.398199446,0.419202387,3.443172263,3.730349355,8.407879103,0.224954384,1.232608322,1.008201278,0.790304849,0.17650611,0.510478497,0.400151874,0.175140164,0.156821212,0.032637533,1.975012237,1.114233679,3.229883577,0.365945557,0.36459891,1.224258816,0.976589891,0.357269038,0.478577977,0.381761118,0.258192291,0.239463852,0.133998468,2.558117744,1.981893883,4.967162054,0.290508643,0.631654611,1.538995025,1.247726794,0.620102938,0.451738829,0.366243315,0.408021018,0.390889963,0.40437789,3.406824757,3.648299715,8.245874242,0.226973216,1.203288872,1.320614388,1.059624801,0.43779268,0.46863004,0.376015904,0.300424737,0.281916013,0.201345091,2.818031869,2.441407052,5.872066629,0.266968917,0.783685842,1.594703293,1.295692692,0.666570613,0.448332378,0.364269007,0.438111455,0.42152131,0.467333285,3.556966598,3.992898427,8.927163491,0.218902078,1.32696605,1.542560261,1.250796746,0.623077248,0.451511765,0.366111756,0.409914551,0.392815849,0.408271301,3.416434255,3.669906552,8.28852434,0.226435282,1.211001701 +UMLKV0058,L,CYCLOPENTANE,C1CCCC1,C5H10,Naphthene - major structure is saturated ring,Naphthenes,287-92-3,2.369074834,PubChem,,0.4927,0,-1.44,2.0736,14.558,15.46793,0,0,15,5,10,0,5,0,0,0,0,0,0,0,0,0,731.481245,842.391485,968.542685,262.46304,20.32128,0,0,0,0,2428.421953,3264.950672,4567.735558,2916.407216,621.6748886,0,0,0,0,104.88722,108.8789,213.64754,276.72192,134.36928,0,0,0,0,18.39062905,25.0799431,38.43845072,31.1631443,8.892258097,0,0,0,0,2483.148301,2165.197258,4621.010995,6760.803995,3698.35304,0,0,0,0,21.25,26.25,46.25,50,20,0,0,0,0,48.76541633,56.15943233,32.28475617,6.561576,1.016064,0,0,0,0,161.8947969,217.6633782,152.2578519,72.9101804,31.08374443,0,0,0,0,6.992481333,7.258593333,7.121584667,6.918048,6.718464,0,0,0,0,1.226041937,1.671996207,1.281281691,0.779078607,0.444612905,0,0,0,0,165.54322,144.3464838,154.0336998,169.0200999,184.917652,0,0,0,0,1.416666667,1.75,1.541666667,1.25,1,0,0,0,0,0.020906774,2.17E-18,-0.010453387,-0.013937849,0.013937849,0,0,0,0,403.5533633,7.82E-14,-201.7766817,-269.0355756,269.0355756,0,0,0,0,750.4247115,2.42E-13,-375.2123557,-500.283141,500.283141,0,0,0,0,0.079053333,1.13E-15,-0.039526667,-0.052702222,0.052702222,0,0,0,0,3.354747616,-1.33E-15,-1.677373808,-2.236498411,2.236498411,0,0,0,0,18.22304229,5.37E-14,-9.111521147,-12.14869486,12.14869486,0,0,0,0,0.833333333,-2.91E-16,-0.416666667,-0.555555556,0.555555556,0,0,0,0,0.001393785,1.45E-19,-3.48E-04,-3.48E-04,6.97E-04,0,0,0,0,26.90355756,5.21E-15,-6.725889389,-6.725889389,13.45177878,0,0,0,0,50.0283141,1.61E-14,-12.50707852,-12.50707852,25.01415705,0,0,0,0,0.005270222,7.53E-17,-0.001317556,-0.001317556,0.002635111,0,0,0,0,0.223649841,-8.88E-17,-0.05591246,-0.05591246,0.111824921,0,0,0,0,1.214869486,3.58E-15,-0.303717372,-0.303717372,0.607434743,0,0,0,0,0.055555556,-1.94E-17,-0.013888889,-0.013888889,0.027777778,0,0,0,0,1.04E-16,-0.25,-0.25,0.5,0,0,0,0,1.94E-16,-0.25,-0.25,0.5,0,0,0,0,3.22E-16,-0.25,-0.25,0.5,0,0,0,0,1.43E-14,-0.25,-0.25,0.5,0,0,0,0,-3.97E-16,-0.25,-0.25,0.5,0,0,0,0,2.95E-15,-0.25,-0.25,0.5,0,0,0,0,-3.50E-16,-0.25,-0.25,0.5,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,0,11.9,12.10006119,-0.152797442,0.047263744,6.091,6.291061186,5,15,15,15,5,0,0,0,0,0,10.93207,3.573186822,2.459820995,2.459820995,1.19006016,1.19006016,0.083923071,0.083923071,0.083923071,1.724171079,1.724171079,0.757863935,0.757863935,0.489263751,0.083923071,0.083923071,0.083923071,3.600648477,2.510897621,2.510897621,1.30885592,1.30885592,0.270913902,0.270913902,0.270913902,1.655976007,1.655976007,0.62194973,0.62194973,0.329734575,0.270913902,0.270913902,0.270913902,3.72034929,2.734801489,2.734801489,1.778468089,1.778468089,0.943918427,0.943918427,0.943918427,1.452583651,1.452583651,0.172849073,0.172849073,0.223569137,0.943918427,0.943918427,0.943918427,3.620820476,2.548571849,2.548571849,1.39352899,1.39352899,0.399277246,0.399277246,0.399277246,1.612285733,1.612285733,0.531260614,0.531260614,0.22154323,0.399277246,0.399277246,0.399277246,3.778078745,2.841861735,2.841861735,1.978039144,1.978039144,1.207644823,1.207644823,1.207644823,1.38842831,1.38842831,0.016182923,0.016182923,0.429566078,1.207644823,1.207644823,1.207644823,3.666666667,2.634421018,2.634421018,1.577575475,1.577575475,0.666666667,0.666666667,0.666666667,1.528942797,1.528942797,0.349720363,0.349720363,0,0.666666667,0.666666667,0.666666667,0,0,0,0,0,0,5,0,0,0,0,0.176776695,0,0,0,0,0.176776695,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.535533906,2.5,1.767766953,1.25,0.883883476,0,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0,0,0,3.535533906,2.5,1.767766953,1.25,0.883883476,0,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0,0,0,7.709139019,14.43918427,13.62745098,13.8,8.992772455,115.1412754,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.9505,23.085,14,18.61803399,28,5.6,14.000001,1.11E-16,2.22E-17,-18.36840028,19.22543377,3.845086753,1.478117039,20,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,7.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.5,1.5,0.2,1.5,0.2,1.5,3.615,0,0,0,0,0,0,2.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0,0,0,2.5,0.5,2.5,0.5,0,0,-2.5,-0.5,0,0,3.75,0.75,3.75,0,0,2.5,0.5,2.5,0,0,-0.086,-0.0172,0,0,0.333333333,5,0,0,0,0,0,0,1,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,13.77443751,13.77443751,13.77443751,13.77443751,13.77443751,13.77443751,0.235045188,0.235045188,0.235045188,0.235045188,0.235045188,0.235045188,2.988594762,2.988594762,2.988594762,2.988594762,2.988594762,2.988594762,0.235045188,0.235045188,0.235045188,0.235045188,0.235045188,0.235045188,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,19.74937501,19.74937501,19.74937501,19.74937501,19.74937501,19.74937501,3.2,1.44,0.64,0,0,0,2.01,0.7045,0,0,0,0,7.071067812,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.071,0.064,0.277,0.248,2.625,5,5,5,0,0,0,0,0,0,25,1.791759469,1.791759469,1.791759469,1.791759469,0,0,0,0,0,0,3.258096538,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,8.618033989,12,2.4,6.006204681,0,0,0,13.96759521,2.793519041,1.318370009,0,82.67992313,3.321928095,3.044522438,3.713572067,4.394449155,5.081404365,5.771441123,6.463029457,7.155396302,7.848153086,8.541105011,62.013073,2.397895273,0,3.433987204,2.397895273,4.615120517,4.262679877,5.860786223,5.888877958,7.147559271,7.6989362,70.07825032,4.671883355,9.6875,1.9375,0,0,0,15,0,2.845,20,1.380498507,2.484266497,3.279932063,4.048814736,0,0,0,0,0,0,101.0958852,89.89445501,22.7176085,4.113854896,0,0,0,0,0,0,355.5494789,407.3068427,248.1617826,125.8523225,0,0,0,0,0,0,10.09589115,17.76333594,22.73377477,27.20181605,0,0,0,0,0,0,2.606958365,3.364602219,2.627464214,1.800155281,0,0,0,0,0,0,194.5749375,377.4425534,550.9455779,748.6973145,0,0,0,0,0,0,2.549621641,3.933472861,4.153836385,4.048814736,0,0,0,0,0,0,0.53723541,0.708711425,0.576363513,0.414598629,0,0,0,0,0,0,251.4392006,66.37673319,6.637673319,48.99699897,-12.93458108,-2.586916217,202.4422017,79.31131428,9.224589536,0.836913797,0.220934539,0.022093454,0.163086203,-0.043052672,-0.008610534,75.54143787,19.94197346,1.994197346,14.72047216,-3.886016384,-0.777203277,0.1,0.2,2.48873043,1.018936307,300.4361996,0,1,0,216.1789932,14.70302667,6.001656887,313.0493541,17.69320079,6.790018184,307.0246732,17.52211954,6.74617743,1.332033716,1.328393467,185.6462196,125.2829221,90.98938609,1.481815849,2.040306321,1.376896004,3.393045837,3.649051612,5.316433721,0.456935743,2.789005534,1.595883903,1.493127232,7.63514318,8.374240208,9.286193548,3.940990778,2.489683679,0.639207697,0.034401405,5.09E-21,1.45E-61,8.01E-124,8.51E-208,1.74427113153E-313,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234061908,1.595673376,0.710359182,2.273149056,0.368275307,1.229888338,0.098832744,0.058791918,0.004501992,2.42E-04,3.59E-23,1.02E-63,5.64E-126,6.00E-210,1.22850442E-315,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.755580372,1.595687837,0.845719232,3.105905253,1.144690634,2.080408281,0.471854478,0.28872558,0.046914228,0.002524868,3.74E-22,1.07E-62,5.88E-125,6.25E-209,1.2801963237E-314,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.632593716,1.595860928,1.436567888,7.214290405,7.580669175,8.512121333,3.560291888,2.246671137,0.56952255,0.030651032,4.54E-21,1.30E-61,7.14E-124,7.58E-208,1.5541141751E-313,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.113586447,1.59570623,0.945890347,3.755282631,1.932365913,2.900001878,0.850029248,0.525626878,0.101903973,0.005484352,8.12E-22,2.32E-62,1.28E-124,1.36E-208,2.7807574837E-314,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368128095,1.59598042,1.712349782,9.298506628,11.65702306,12.47114245,5.515734397,3.496401189,0.932224353,0.050171216,7.43E-21,2.12E-61,1.17E-123,1.24E-207,2.54385551597E-313,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.859337023,1.595766675,1.173507762,5.311140406,4.23894235,5.223522694,1.956997273,1.225779399,0.28409231,0.015289513,2.26E-21,6.47E-62,3.56E-124,3.78E-208,7.75231614E-314,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.168440624,1.616749416,0.679760138,0.485658414,0.362097975,0.436060584,0.407952779,0.458130378,4.464950179,6.078846418,12.92691676,0.271634584,1.302143741,1.569985278,1.08064732,0.218458841,0.547206428,0.376651405,0.228852413,0.1821441,0.046783153,2.869091439,2.275654509,5.515383302,0.385786749,0.457779666,1.807641563,1.293555632,0.401717536,0.516039271,0.369279795,0.303219962,0.261047213,0.15897384,3.502914731,3.58409022,8.02633501,0.327978598,0.723241014,2.15362163,1.603475674,0.668343909,0.486645631,0.362331256,0.430130979,0.401274563,0.442764086,4.425441213,5.964312992,12.69773279,0.27346533,1.274169628,1.913588372,1.388463751,0.483383737,0.505513353,0.366790986,0.339734522,0.300792682,0.230643131,3.78543586,4.253106383,9.322867738,0.308456508,0.871170335,2.214835801,1.658306378,0.715500024,0.482677817,0.361393699,0.454887229,0.429218021,0.507951058,4.588642203,6.444109656,13.66069496,0.266107273,1.392056308,2.15753944,1.606984959,0.671362133,0.486382919,0.362269176,0.43169469,0.403034764,0.446800856,4.435886533,5.994492562,12.75808119,0.272978143,1.281530309 +UMLKV0059,L,METHYLCYCLOPENTANE,CC1CCCC1,C6H12,Naphthene - major structure is saturated ring,Naphthenes,96-37-7,2.531750331,PubChem,,0.5646,0,0.0686,0.00470596,23.2621,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,1010.869782,1283.317231,646.831922,149.520672,12.192768,0,0,0,2914.106344,3917.940807,5706.410083,4650.250206,2017.711008,373.0049332,0,0,0,125.864664,130.65468,256.400764,342.025544,259.293312,80.621568,0,0,0,22.06875486,30.09593172,47.13256515,45.20468587,23.58460444,5.335354858,0,0,0,2979.777961,2598.236709,5550.680106,8054.455437,6708.919734,2219.011824,0,0,0,26.77777778,32.75,56.08333333,68.33333333,45,12,0,0,0,48.76541633,56.15943233,35.64770086,13.20065147,3.934754526,1.016064,0,0,0,161.8947969,217.6633782,158.5113912,94.90306543,53.0976581,31.08374443,0,0,0,6.992481333,7.258593333,7.122243444,6.980113143,6.823508211,6.718464,0,0,0,1.226041937,1.671996207,1.309237921,0.92254461,0.620647485,0.444612905,0,0,0,165.54322,144.3464838,154.1855585,164.3766416,176.5505193,184.917652,0,0,0,1.487654321,1.819444444,1.55787037,1.394557823,1.184210526,1,0,0,0,0.024452519,-0.001407267,-0.00588181,-0.017389551,0.005112838,0.007339531,0,0,0,484.264036,4.90E-13,-121.066009,-390.1015846,107.6142302,161.4213453,0,0,0,900.5096538,2.98E-13,-225.1274134,-725.4105544,200.1132564,300.1698846,0,0,0,0.094864,1.36E-15,-0.023716,-0.076418222,0.021080889,0.031621333,0,0,0,4.025697139,2.94E-15,-1.006424285,-3.242922696,0.894599364,1.341899046,0,0,0,21.86765075,6.53E-14,-5.466912688,-17.61560755,4.859477945,7.289216918,0,0,0,1.49382716,-0.435185185,-0.015432099,-0.714677641,0.006858711,0.411522634,0,0,0,0.001358473,-7.82E-05,-1.63E-04,-3.55E-04,1.35E-04,6.12E-04,0,0,0,26.90355756,2.72E-14,-3.362944694,-7.961256828,2.831953427,13.45177878,0,0,0,50.0283141,1.66E-14,-6.253539262,-14.80429703,5.266138326,25.01415705,0,0,0,0.005270222,7.55E-17,-6.59E-04,-0.001559556,5.55E-04,0.002635111,0,0,0,0.223649841,1.63E-16,-0.02795623,-0.066182096,0.023542089,0.111824921,0,0,0,1.214869486,3.63E-15,-0.151858686,-0.359502195,0.127880999,0.607434743,0,0,0,0.082990398,-0.024176955,-4.29E-04,-0.014585258,1.80E-04,0.034293553,0,0,0,-0.057551019,-0.120270016,-0.261240913,0.099043808,0.45023158,0,0,0,1.01E-15,-0.125,-0.295918367,0.105263158,0.5,0,0,0,3.31E-16,-0.125,-0.295918367,0.105263158,0.5,0,0,0,1.43E-14,-0.125,-0.295918367,0.105263158,0.5,0,0,0,7.31E-16,-0.125,-0.295918367,0.105263158,0.5,0,0,0,2.99E-15,-0.125,-0.295918367,0.105263158,0.5,0,0,0,-0.291322314,-0.005165289,-0.175746332,0.002174859,0.41322314,0,0,0,1.473090791,1.237401176,1.202533058,0.604472112,0.003655279,0,0,0,1.416666667,1.298611111,1.214285714,0.559210526,0,0,0,0,1.416666667,1.298611111,1.214285714,0.559210526,0,0,0,0,1.416666667,1.298611111,1.214285714,0.559210526,0,0,0,0,1.416666667,1.298611111,1.214285714,0.559210526,0,0,0,0,1.416666667,1.298611111,1.214285714,0.559210526,0,0,0,0,1.773760331,0.922004132,1.154790015,0.823564593,0,0,0,0,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,19.31946284,9.613435124,14.17999247,19.25773445,3.209622408,9.613610387,-0.092592593,0.030784955,0.005130826,-2.088437505,42.46516056,7.07752676,2.249210393,0,11.9,12.1000824,-0.151386681,0.048709419,5.658995554,7.448506275,6,18,18,18,6,0,0,0,0,0,13.118484,3.627101149,2.781418157,2.459820995,1.995857275,1.19006016,0.939129545,0.083923071,0.083923071,1.803483423,1.724171079,1.226892172,0.757863935,0.621200126,0.356238123,0.083923071,0.083923071,3.652027279,2.827185891,2.510897621,2.069299418,1.30885592,1.065160977,0.270913902,0.270913902,1.74157494,1.655976007,1.117615365,0.62194973,0.476079793,0.194747858,0.270913902,0.270913902,3.761432789,3.028373609,2.734801489,2.377097536,1.778468089,1.560463307,0.943918427,0.943918427,1.560904806,1.452583651,0.767027153,0.172849073,0.010166862,0.366071564,0.943918427,0.943918427,3.670376732,2.860960277,2.548571849,2.122681568,1.39352899,1.154824297,0.399277246,0.399277246,1.702261215,1.612285733,1.045523917,0.531260614,0.378767248,0.085181511,0.399277246,0.399277246,3.814659654,3.125134419,2.841861735,2.516843435,1.978039144,1.769475288,1.207644823,1.207644823,1.505142931,1.38842831,0.648284366,0.016182923,0.182659309,0.575234484,1.207644823,1.207644823,3.683113856,3.004731084,2.602772128,2.24669346,1.550284617,1.306777667,0.642857143,0.642857143,1.648721688,1.561175749,0.840257381,0.377595282,0.212437591,0.102957736,0.642857143,0.642857143,0,0,0,0,0,1,4,1,0,0,0,0.144337567,0.144337567,0,0,0,0.144337567,0.144337567,0,0.288675135,0,0,0,0.288675135,0,0,0,0.40824829,0.433012702,0,0.40824829,0.433012702,0,4.405777394,2.89384685,2.389628766,1.64384685,1.129936127,0.288675135,0,0,0.734296232,0.482307808,0.341375538,0.234835264,0.161419447,0.144337567,0,0,4.405777394,2.89384685,2.389628766,1.64384685,1.129936127,0.288675135,0,0,0.734296232,0.482307808,0.341375538,0.234835264,0.161419447,0.144337567,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.1965,27.632,18.09925825,25.29161865,36.19851651,6.033086084,18.09925827,0.064833572,0.010805595,-1.641559038,30.97618464,5.16269744,2.059931203,29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,1,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,2.340277778,0,5.946759259,0,0,0,1.046296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.340277778,0,1.486111111,0,0,0,1.046296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.340277778,0,1.487268519,0,0,0,1.046296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.333333333,1.555555556,0.2,2.340277778,0.2,1.046296296,4.322013889,0.287037037,0.340277778,0.680555556,0.287037037,0.340277778,0.680555556,3,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.16667,0.16667,0,3,0.5,3,0.5,0,0,-3,-0.5,0,0,5.2306,0.87177,5.2306,0,0,2.89384,0.48231,2.89384,0,0,0.02016,0.00336,0.10616,0.01769,0.277777778,6,0,0,0,0,0,0,1,0.918295834,1.335505557,2.350209029,2.683542362,2.281036113,2.169925001,16.52932501,24.03910002,42.30376252,48.30376252,41.05865003,39.05865003,0.220218789,0.320270882,0.563609424,0.643546913,0.547020896,0.520375067,3.251629167,2.834419445,1.819715972,1.486382639,1.888888889,2,0.220218789,0.320270882,0.563609424,0.643546913,0.547020896,0.520375067,6.73287657,11.73939324,15.20474235,14.31933125,11.47096983,15.02304759,23.69925001,19.03258335,16.91696043,18.0614882,21.58596668,17.3216389,4.166666667,1.632653061,0.979591837,0,0,0,2.12,0.8454,0,1.632993162,1,0,4.242640687,2.828427125,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,2.896,7,7,7,2,0,0,0,0,0,35,1.945910149,2.079441542,2.079441542,2.079441542,1.098612289,0,0,0,0,0,3.583518938,1,0.333333333,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,0,2,3,0.5,1,0.444444444,0.222222222,0,0,0,0,0,0,0,0.166666667,0.063492063,0.111111111,0,0,0,0,0,0,0,0.341269841,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,0,99.97590776,3.584962501,3.295836866,4.007333185,4.762173935,5.493061443,6.251903883,6.989335266,7.747164967,8.487764381,9.243871855,68.27844578,2.564949357,0,3.713572067,2.397895273,5.017279837,4.442651256,6.385194399,6.224558429,7.788626066,8.245646901,84.09390038,4.671883355,11.57549817,1.929249695,0,0,0,26,2,3.353,26,1.3586932,2.428984679,3.271862156,3.991625748,5.189420775,0,0,0,0,0,97.95016178,98.62149702,49.38424622,17.81665479,5.272783631,0,0,0,0,0,346.3145629,419.9486792,329.9106066,227.8648601,161.3066291,0,0,0,0,0,9.931467889,17.38122318,22.88883808,27.31285149,34.86493666,0,0,0,0,0,2.546145545,3.394988746,3.142064218,2.604688044,2.307283445,0,0,0,0,0,191.8101477,368.6273274,534.0577669,698.6730895,959.6155051,0,0,0,0,0,2.567627536,3.911829643,4.653612384,4.864094394,5.189420775,0,0,0,0,0,0.524969925,0.712688638,0.678296408,0.579466197,0.531396687,0,0,0,0,0,278.5608318,86.7152713,7.192341103,52.17331277,-16.24141823,-2.811746998,226.387519,102.9566895,10.0040881,0.842249996,0.26219026,0.021746594,0.157750004,-0.049107171,-0.008501532,92.12957842,28.67970108,2.378752782,17.25549597,-5.371591565,-0.929940738,0.095192775,0.200185818,1.764709987,1.957923523,330.7341446,0,1,0,278.2605624,16.68114392,6.52855729,394.5049954,19.86214982,7.334167691,424.0305469,20.59200201,7.512751918,1.191705026,1.076059949,286.3080235,231.5463709,101.1755765,1.236504042,2.829813612,2.288559937,3.754010772,3.828720141,6.541971623,0.708657562,3.346806641,2.544377909,1.779518247,9.595076347,8.74986651,7.112944536,6.789601352,7.741810796,1.686768364,0.524670838,0.944758256,0.838482379,7.74E-10,1.38E-40,4.74E-93,3.14E-167,4.01E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,0.28087429,2.544148414,0.721231225,3.239067057,0.714704912,1.152216656,0.334632323,0.306574633,0.072300705,0.043520549,0.006655236,0.0059055,5.45E-12,9.71E-43,3.34E-95,2.21E-169,2.83E-265,0,0,0,0,0,0,0,0,0,0,0,0,0,0.906696446,2.544164222,0.889488835,4.22006804,1.614829964,1.760641046,1.150106132,1.093093333,0.279015323,0.140826638,0.06934306,0.061539863,5.68E-11,1.01E-41,3.48E-94,2.30E-168,2.95E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,3.15911246,2.544352879,1.697834296,9.094035583,7.996164145,6.532841168,6.216798295,7.027966705,1.544477688,0.494894316,0.841763441,0.747072704,6.90E-10,1.23E-40,4.22E-93,2.80E-167,3.58E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336303737,2.544184289,1.019173738,4.987438988,2.452465662,2.358918392,1.858994045,1.850113721,0.457389984,0.207893508,0.150619377,0.133672805,1.23E-10,2.20E-41,7.55E-94,5.01E-168,6.40E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041753714,2.544483048,2.101141717,11.57729338,11.83773628,9.505140417,9.112123863,10.678548,2.262945585,0.635284194,1.377837127,1.222847749,1.13E-09,2.01E-40,6.91E-93,4.58E-167,5.85E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,2.228358503,2.437120525,1.178062917,6.53531874,4.533551727,3.674582771,3.618009523,3.815306312,1.013587673,0.336321419,0.390442391,0.346515677,3.20E-10,5.70E-41,1.96E-93,1.30E-167,1.66E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,3.218139162,1.447190077,0.756691454,0.593531332,0.26690973,0.473218493,0.399646098,0.417485904,5.422020693,8.187473826,17.13360265,0.390296997,1.290350495,2.482296311,0.927319894,0.27647492,0.673422394,0.251572699,0.280498639,0.163795514,0.056148188,3.686091125,3.244556118,7.567060092,0.510133592,0.500442342,2.774309778,1.133844984,0.467391241,0.634048819,0.259132228,0.350879392,0.245084189,0.160033705,4.375546003,4.972274531,10.81806382,0.451073229,0.755997285,3.199899226,1.434323852,0.744820889,0.594882519,0.266650331,0.467824239,0.392558481,0.40457288,5.379043968,8.04135794,16.83890022,0.392323779,1.264955599,2.904579064,1.22587839,0.552406966,0.620256921,0.261779603,0.384861349,0.286576155,0.223252422,4.68286442,5.842354175,12.49215237,0.430385381,0.894689925,3.275250023,1.487469768,0.793849553,0.589437442,0.267695709,0.490312008,0.422245372,0.459197977,5.556569345,8.652718372,18.07679207,0.384156164,1.371755357,3.211726985,1.435837568,0.747144521,0.595347579,0.266156626,0.471374451,0.393414251,0.406748224,5.394709074,8.083920654,16.92410033,0.393021368,1.271536927 +UMLKV0060,L,ETHYLCYCLOPENTANE,CCC1CCCC1,C7H14,Naphthene - major structure is saturated ring,cyclopentanes,1640-89-7,2.680009809,PubChem,,0.6199,0,-0.6076,0.36917776,26.3399,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1477.025768,964.65466,533.889554,141.39216,12.192768,0,0,3399.790734,4570.930941,6619.957195,5882.175964,3751.553998,1769.041052,373.0049332,0,0,146.842108,152.43046,299.130272,404.93416,324.596936,205.5456,80.621568,0,0,25.74688067,35.11192034,54.8202553,55.23263902,37.62614601,20.0277012,5.335354858,0,0,3476.407621,3031.276161,6474.882305,9538.877504,8002.571176,5229.578518,2219.011824,0,0,31.02777778,38.08333333,64.91666667,78.83333333,62,37,12,0,0,48.76541633,56.15943233,35.16728019,16.6319769,11.35935221,4.713072,1.016064,0,0,161.8947969,217.6633782,157.6180285,101.416827,79.82029783,58.96803508,31.08374443,0,0,6.992481333,7.258593333,7.122149333,6.981623448,6.906317787,6.85152,6.718464,0,0,1.226041937,1.671996207,1.305244174,0.95228688,0.800556298,0.66759004,0.444612905,0,0,165.54322,144.3464838,154.1638644,164.4634052,170.2674718,174.3192839,184.917652,0,0,1.477513228,1.813492063,1.545634921,1.359195402,1.319148936,1.233333333,1,0,0,0.028683677,-0.001665962,-0.009502807,-0.010467147,0.001210158,-0.00118001,0.00726393,0,0,564.9747087,5.76E-13,-161.4213453,-269.0355756,-13.45177878,-5.01E-13,161.4213453,0,0,1050.594596,0,-300.1698846,-500.283141,-25.01415705,1.42E-13,300.1698846,0,0,0.110674667,1.58E-15,-0.031621333,-0.052702222,-0.002635111,-1.12E-15,0.031621333,0,0,4.696646663,7.55E-15,-1.341899046,-2.236498411,-0.111824921,-5.02E-15,1.341899046,0,0,25.51225921,2.09E-14,-7.289216918,-12.14869486,-0.607434743,-1.13E-14,7.289216918,0,0,1.661375661,-0.349206349,-0.517195767,-0.096497858,0.010519022,-0.278155707,0.399848828,0,0,0.001365889,-7.93E-05,-2.26E-04,-1.80E-04,2.57E-05,-3.93E-05,6.05E-04,0,0,26.90355756,2.74E-14,-3.843365365,-4.638544406,-0.286208059,-1.67E-14,13.45177878,0,0,50.0283141,0,-7.146902014,-8.625571396,-0.532216107,4.74E-15,25.01415705,0,0,0.005270222,7.54E-17,-7.53E-04,-9.09E-04,-5.61E-05,-3.75E-17,0.002635111,0,0,0.223649841,3.60E-16,-0.031949977,-0.038560317,-0.002379254,-1.67E-16,0.111824921,0,0,1.214869486,9.94E-16,-0.173552784,-0.209460256,-0.012924143,-3.77E-16,0.607434743,0,0,0.079113127,-0.016628874,-0.012314185,-0.001663756,2.24E-04,-0.009271857,0.033320736,0,0,-0.058080487,-0.165648344,-0.13212494,0.018850759,-0.028797118,0.443174591,0,0,1.02E-15,-0.142857143,-0.172413793,-0.010638298,-6.21E-16,0.5,0,0,0,-0.142857143,-0.172413793,-0.010638298,9.47E-17,0.5,0,0,1.43E-14,-0.142857143,-0.172413793,-0.010638298,-7.12E-15,0.5,0,0,1.61E-15,-0.142857143,-0.172413793,-0.010638298,-7.49E-16,0.5,0,0,8.18E-16,-0.142857143,-0.172413793,-0.010638298,-3.11E-16,0.5,0,0,-0.210191083,-0.155652866,-0.02103009,0.002828974,-0.117197452,0.421178344,0,0,1.487348494,1.286575623,1.045604518,0.860117989,0.786939709,0.004225556,0,0,1.428571429,1.326530612,1.108374384,0.820668693,0.714285714,0,0,0,1.428571429,1.326530612,1.108374384,0.820668693,0.714285714,0,0,0,1.428571429,1.326530612,1.108374384,0.820668693,0.714285714,0,0,0,1.428571429,1.326530612,1.108374384,0.820668693,0.714285714,0,0,0,1.428571429,1.326530612,1.108374384,0.820668693,0.714285714,0,0,0,1.703821656,1.098726115,0.807160114,1.024529069,1.103503185,0,0,0,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,27.77813452,13.84244028,21.13062283,27.71152455,3.958789221,13.84244316,-0.093253968,0.096451767,0.013778824,-1.637098556,31.38905264,4.484150377,2.412521433,0,11.9,12.10010405,-0.151270271,0.048850063,5.392996342,8.077254951,7,21,21,21,7,0,0,0,0,0,15.304898,3.647787381,3.021440864,2.459820995,2.333928549,1.614437775,1.19006016,0.90129777,0.083923071,1.84856911,1.724171079,1.450086455,0.858665118,0.757863935,0.599202866,0.342753438,0.083923071,3.671939768,3.062393404,2.510897621,2.389140141,1.708805736,1.30885592,1.030454092,0.270913902,1.788978482,1.655976007,1.359643119,0.728794522,0.62194973,0.450646282,0.180101225,0.270913902,3.778083811,3.241304403,2.734801489,2.629214171,2.094567724,1.778468089,1.535538228,0.943918427,1.615918511,1.452583651,1.078375163,0.30272884,0.172849073,0.05241732,0.385488991,0.943918427,3.689726204,3.092533223,2.548571849,2.42975998,1.776860463,1.39352899,1.122168703,0.399277246,1.751218884,1.612285733,1.300689189,0.642372585,0.531260614,0.350686873,0.069694815,0.399277246,3.829816881,3.327119566,2.841861735,2.742891592,2.264406843,1.978039144,1.74770537,1.207644823,1.562710917,1.38842831,0.986158122,0.155202657,0.016182923,0.233608016,0.596747543,1.207644823,3.693106554,3.226609051,2.607153007,2.523408499,1.928706972,1.554062227,1.280899197,0.646153846,1.711484768,1.5567116,1.135299283,0.464111875,0.373734403,0.172430898,0.122904243,0.646153846,0,0,0,0,0,1,5,1,0,0,0,0.144337567,0.102062073,0.102062073,0,0,0.144337567,0.102062073,0.102062073,0.204124145,0,0,0,0.204124145,0,0,0,0.49279928,0.594861352,0.204124145,0.49279928,0.594861352,0.204124145,5.112884175,3.431851653,2.558730745,2.052095141,1.418611262,0.49279928,0.204124145,0,0.730412025,0.490264522,0.319841343,0.228010571,0.157623474,0.12319982,0.102062073,0,5.112884175,3.431851653,2.558730745,2.052095141,1.418611262,0.49279928,0.204124145,0,0.730412025,0.490264522,0.319841343,0.228010571,0.157623474,0.12319982,0.102062073,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.5866,32.249,22.87726984,33.16178179,45.75453968,6.536362811,22.87726984,0.106509552,0.01521565,-1.567664427,23.73191568,3.390273668,2.216774557,44,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,1,0,5,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,2.301574074,0,7.434537037,0,0,0,1.097222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.301574074,0,1.416666667,0,0,0,1.097222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.301574074,0,1.510416667,0,0,0,1.097222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.83333333,1.547619048,0.2,2.301574074,0.2,1.097222222,5.044046296,0.236111111,0.301574074,0.644814815,0.236111111,0.301574074,0.644814815,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.14286,0.14286,0,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.53706,0.93387,6.53706,0,0,3.43185,0.49026,3.43185,0,0,-0.01785,-0.00255,0.06815,0.00974,0.238095238,7,0,0,0,0,0,0,1,0.918295834,1.301240785,2.262362377,2.855904922,2.891851946,2.606137661,19.28421252,27.3260565,47.50960993,59.97400337,60.72889087,54.72889087,0.209068641,0.296253813,0.515072605,0.650204584,0.658388652,0.593340009,3.474021589,3.091076637,2.129955045,1.5364125,1.500465476,1.786179762,0.209068641,0.296253813,0.515072605,0.650204584,0.658388652,0.593340009,6.73287657,11.32821599,14.83801525,16.87821207,14.42555679,15.57961656,27.64912502,22.75804088,20.11514464,17.85206274,20.67668291,19.62950922,5.142857143,2.34375,1.185185185,2,0,2,2.23,0.9863,0,1.850535862,0.5,0,5.676240019,3.789291416,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,3.395,8,9,9,4,2,0,0,0,0,46,2.079441542,2.197224577,2.302585093,2.302585093,1.609437912,1.098612289,0,0,0,0,3.850147602,1,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,2,0.285714286,0,2,4,1,1,0.444444444,0.222222222,0.125,0,0,0,0,0,0,0.142857143,0.055555556,0.055555556,0.0625,0,0,0,0,0,0,0.316468254,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,0,117.2718924,3.807354922,3.433987204,4.17438727,4.934473933,5.693732139,6.459904454,7.22329568,7.990576882,8.755107122,9.522446728,72.18791141,2.708050201,0,3.850147602,2.397895273,5.176149733,4.442651256,6.577861358,6.259581464,8.017966703,8.436416881,98.10955045,4.671883355,13.58523637,1.940748052,0,0,0,43,4,3.922,30,1.343117981,2.390692085,3.210325243,4.004198754,5.06631913,6.164327026,0,0,0,0,95.70321648,95.61595469,62.23573983,55.47485422,26.45975158,6.263350776,0,0,0,0,339.7181944,410.0402052,351.5421791,355.316314,318.2240234,191.6103659,0,0,0,0,9.8140227,17.10320877,22.47497521,27.76408163,34.80490719,41.41480921,0,0,0,0,2.502707816,3.324005922,3.217759812,3.445317846,3.537941431,2.740739346,0,0,0,0,189.8352978,363.0528976,523.5023825,673.461746,875.7556973,1139.89288,0,0,0,0,2.529045824,3.797345526,4.463666479,5.480270411,6.41522856,6.164327026,0,0,0,0,0.516208864,0.698107518,0.690818793,0.747477988,0.783197475,0.631227088,0,0,0,0,305.8151953,111.2090271,7.86049103,53.87153995,-19.59026772,-2.920773702,251.9436553,130.7992948,10.78126473,0.850226504,0.309183009,0.021853714,0.149773496,-0.054464805,-0.008120326,109.9976692,40.00041189,2.827314356,19.37687833,-7.046359437,-1.050563557,0.082146845,0.178551061,0.966780438,1.645250697,359.6867352,0,1,0,340.3421315,18.44836393,6.981872358,475.9606367,21.8165221,7.807710088,539.5784135,23.22882721,8.14113311,1.438297937,1.049065191,449.8613812,394.9927334,106.9611802,1.138910525,4.205837859,3.69286065,4.134407277,4.389230947,7.584798812,0.728047329,3.904607748,3.492895216,3.16846732,11.18985242,9.600371423,8.362736535,7.633129113,9.901339579,3.177345189,1.682803851,1.290182808,1.540262782,1.028073422,1.40269756,3.26E-08,4.21E-37,1.05E-87,5.02E-160,4.65E-254,0,0,0,0,0,0,0,0,0,0,0,0.327686671,3.492623617,0.7510435,4.341492281,0.721585455,1.886115837,0.307705479,0.565966676,0.140865553,0.04348663,0.71254889,0.090835969,0.029260869,0.009879314,2.30E-10,2.96E-39,7.37E-90,3.54E-162,3.28E-256,0,0,0,0,0,0,0,0,0,0,0,1.05781252,3.492642317,1.042890253,5.543208359,1.679539733,2.579331042,1.127561682,1.729186364,0.526423316,0.204783437,0.769235066,0.318550631,0.132028576,0.102950065,2.39E-09,3.09E-38,7.68E-89,3.69E-161,3.41E-255,0,0,0,0,0,0,0,0,0,0,0,3.685631203,3.492865592,2.949154615,10.70119866,8.754561779,7.743793437,6.945731082,9.067223349,2.908583318,1.521130165,1.233162434,1.427422732,0.931157029,1.249778272,2.90E-08,3.75E-37,9.32E-88,4.48E-160,4.14E-254,0,0,0,0,0,0,0,0,0,0,0,1.559021026,3.492666062,1.303093405,6.426398744,2.590832942,3.241905628,1.890913126,2.748113043,0.860651039,0.366971761,0.826326196,0.495103046,0.232597402,0.223621298,5.20E-09,6.70E-38,1.67E-88,8.01E-161,7.41E-255,0,0,0,0,0,0,0,0,0,0,0,4.715379333,3.493019659,4.061461773,13.07791821,13.07521365,10.90697839,10.449554,13.28787205,4.26654295,2.351028296,1.525894669,1.985430587,1.427525125,2.045702563,4.75E-08,6.13E-37,1.53E-87,7.33E-160,6.78E-254,0,0,0,0,0,0,0,0,0,0,0,2.600607385,3.386203908,1.861849295,8.045457924,4.839006396,4.918680024,3.71996943,5.312637361,1.636542112,0.846607209,1.150982387,0.866975643,0.548819194,0.585646981,1.36E-08,1.76E-37,4.37E-88,2.10E-160,1.94E-254,0,0,0,0,0,0,0,0,0,0,0,4.621272806,1.33590423,0.746594242,0.689354188,0.199276523,0.491832741,0.376293436,0.433667418,6.703771278,10.62117197,21.93410095,0.534031282,1.301793596,3.771716044,0.825314699,0.265397327,0.775685725,0.16973304,0.32795088,0.143684134,0.054514157,4.862428071,4.332892367,10.02146322,0.663528588,0.526149171,4.109103674,1.028097605,0.456548546,0.734588389,0.183793991,0.389076844,0.222922385,0.161685289,5.593749825,6.569941419,14.09240781,0.601882584,0.773684517,4.600237435,1.323262819,0.734684554,0.690914651,0.198742278,0.487375855,0.369208989,0.419894759,6.658184809,10.4392273,21.56967441,0.536371977,1.276479603,4.259503944,1.118489197,0.541736891,0.719543615,0.188942602,0.418005493,0.263823971,0.227863819,5.919730032,7.677666428,16.17834431,0.579315422,0.909693284,4.687129742,1.375481315,0.783879287,0.684603279,0.200903126,0.50591728,0.398908155,0.478230035,6.846490344,11.19941461,23.09962127,0.526904919,1.38305547,4.617212206,1.325136899,0.737077841,0.691258733,0.198390806,0.490949453,0.370267439,0.422666778,6.679426946,10.49841211,21.68760432,0.536888099,1.283883669 +UMLKV0061,L,"CIS-1,2-DIMETHYLCYCLOPENTANE",CC1CCC(C1)C,C7H14,Naphthene - major structure is saturated ring,cyclopentanes,2532-58-3,2.670939361,PubChem,,0.5696,0,0.8404,0.70627216,30.8396,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1598.091777,1031.200804,399.786073,90.93168,9.144576,0,0,3399.790734,4570.930941,6845.084609,6384.093196,3638.87454,1247.927098,279.7536999,0,0,146.842108,152.43046,299.153988,407.329168,384.24106,163.638144,60.466176,0,0,25.74688067,35.11192034,55.82667958,59.24622745,39.28337506,14.68429815,4.001516144,0,0,3476.407621,3031.276161,6480.349218,9348.106878,9724.95334,4247.253023,1664.258868,0,0,32.30555556,39.25,65.94444444,86.33333333,70,30,9,0,0,48.76541633,56.15943233,38.04980421,17.77932421,7.139037018,3.78882,1.016064,0,0,161.8947969,217.6633782,162.978205,110.0705723,64.97990251,51.99696242,31.08374443,0,0,6.992481333,7.258593333,7.122714,7.02291669,6.8614475,6.818256,6.718464,0,0,1.226041937,1.671996207,1.329206657,1.02148668,0.70148884,0.611845756,0.444612905,0,0,165.54322,144.3464838,154.294029,161.1742565,173.6598811,176.9688759,184.917652,0,0,1.538359788,1.869047619,1.57010582,1.488505747,1.25,1.25,1,0,0,0.028021059,-0.002788608,-0.001600313,-0.022556882,0.005240851,0.002865749,0.004828673,0,0,564.9747087,5.76E-13,-40.35533633,-511.1675936,67.25889389,80.71067267,121.066009,0,0,1050.594596,0,-75.04247115,-950.5379679,125.0707852,150.0849423,225.1274134,0,0,0.110674667,1.58E-15,-0.007905333,-0.100134222,0.013175556,0.015810667,0.023716,0,0,4.696646663,7.55E-15,-0.335474762,-4.24934698,0.559124603,0.670949523,1.006424285,0,0,25.51225921,2.26E-14,-1.822304229,-23.08252024,3.037173716,3.644608459,5.466912688,0,0,2.145502646,-0.896825397,0.431216931,-1.341017889,0.625220459,-0.245653817,0.35430839,0,0,0.001334336,-1.33E-04,-3.81E-05,-3.89E-04,9.36E-05,1.19E-04,5.37E-04,0,0,26.90355756,2.74E-14,-0.960841341,-8.813234372,1.201051677,3.362944694,13.45177878,0,0,50.0283141,0,-1.786725503,-16.38858565,2.233406879,6.253539262,25.01415705,0,0,0.005270222,7.54E-17,-1.88E-04,-0.001726452,2.35E-04,6.59E-04,0.002635111,0,0,0.223649841,3.60E-16,-0.007987494,-0.073264603,0.009984368,0.02795623,0.111824921,0,0,1.214869486,1.08E-15,-0.043388196,-0.397974487,0.054235245,0.151858686,0.607434743,0,0,0.102166793,-0.042705971,0.01026707,-0.023120998,0.011164651,-0.010235576,0.039367599,0,0,-0.099518284,-0.02855554,-0.291464603,0.070137215,0.089487362,0.402086988,0,0,1.02E-15,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,0,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,1.43E-14,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,1.61E-15,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,8.88E-16,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,-0.418002466,0.100493218,-0.226306391,0.109278668,-0.100184957,0.385326757,0,0,1.527399563,1.117012583,1.325574756,0.684674058,0.657708233,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.935881628,0.733662145,1.250053149,0.6797164,1.165228113,0,0,0,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,27.96203969,13.89173413,20.50536604,27.83448867,3.976355525,13.89173666,-0.178571429,2.22E-16,3.17E-17,-25.23055737,2000016.269,285716.6099,10.15606611,0,11.89,12.11009426,-0.163181251,0.057741111,5.809849799,7.769255455,7,21,21,21,7,0,0,0,0,0,15.304898,3.670058915,2.933810622,2.568356182,2.214034341,1.840573327,0.98819579,0.898836676,0.083923071,1.820055384,1.784392849,1.296410032,1.14153701,0.728697418,0.430007647,0.32530402,0.083923071,3.693122535,2.974228832,2.620054894,2.281999042,1.918428202,1.111527094,1.02732901,0.270913902,1.759669096,1.720804688,1.191241112,1.027268224,0.590909257,0.279396622,0.161003297,0.270913902,3.794799492,3.153618635,2.846743542,2.56645936,2.244248759,1.597243875,1.531069198,0.943918427,1.584305129,1.534222857,0.856807739,0.656619408,0.134098508,0.227674607,0.41162516,0.943918427,3.710123482,3.00414231,2.658192536,2.331360111,1.975003119,1.199329816,1.118667035,0.399277246,1.721399536,1.680334487,1.122087157,0.95158259,0.498863226,0.178221864,0.04938883,0.399277246,3.84455841,3.240986499,2.955115796,2.695693538,2.39175294,1.802727072,1.743066004,1.207644823,1.530440043,1.476327506,0.744668785,0.52944963,0.025930955,0.408464249,0.626104263,1.207644823,3.69742235,3.129789868,2.768810474,2.445685514,2.071696928,1.330336592,1.256370784,0.626865672,1.691948461,1.647492979,0.938117443,0.765204986,0.360295356,0.035765205,0.126771621,0.626865672,0,0,0,0,0,2,3,2,0,0,0,0.11785113,0.23570226,0.11785113,0,0,0.11785113,0.23570226,0.11785113,0.577350269,0,0,0,0.577350269,0,0,0,0.741581624,1.040440115,0.589255651,0.741581624,1.040440115,0.589255651,5.276020882,3.2876937,3.023395961,1.95700308,1.491624578,0.638071187,0,0,0.753717269,0.469670529,0.335932885,0.217444787,0.149162458,0.127614237,0,0,5.276020882,3.2876937,3.023395961,1.95700308,1.491624578,0.638071187,0,0,0.753717269,0.469670529,0.335932885,0.217444787,0.149162458,0.127614237,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.4425,32.179,22.47266809,30.16393587,44.94533619,6.420762312,22.47266809,3.33E-16,4.76E-17,-24.9467318,2000014.736,285716.3909,10.15606557,42,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,4.701388889,0,4.418981481,0,0,0,2.046296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.350694444,0,1.472222222,0,0,0,1.023148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.350694444,0,1.47337963,0,0,0,1.023148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.16666667,1.595238095,0.2,2.350694444,0.2,1.023148148,5.030625,0.310185185,0.350694444,1.402777778,0.310185185,0.350694444,1.402777778,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.28571,0.28571,0,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.88311,0.9833,6.88311,0,0,3.28768,0.46967,3.28768,0,0,0.12632,0.01805,0.21232,0.03033,0.238095238,7,0,0,0,0,0,0,1,0.918295834,1.437181403,2.534243613,2.796613851,2.606137661,2.534243613,19.28421252,30.18080947,53.21911587,58.72889087,54.72889087,53.21911587,0.209068641,0.327203447,0.576971874,0.636705771,0.593340009,0.576971874,3.474021589,2.95513602,1.85807381,1.595703572,1.786179762,1.85807381,0.209068641,0.327203447,0.576971874,0.636705771,0.593340009,0.576971874,6.73287657,12.9595034,15.50715994,15.77158323,13.48586895,15.50715994,27.64912502,20.43243106,19.72855157,19.09910259,22.28154241,19.72855157,5.142857143,1.851851852,1.185185185,0,0,0,2.23,0.9863,0.25,2.620741394,2.309401077,0,1.889881575,4.762203156,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.167,9,9,10,5,0,0,0,0,0,47,2.079441542,2.302585093,2.302585093,2.397895273,1.791759469,0,0,0,0,0,3.871201011,1,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,0,2,4,1,2,0.666666667,0.569444444,0,0,0,0,0,0,0,0.285714286,0.074074074,0.142361111,0,0,0,0,0,0,0,0.502149471,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,0,117.2718924,3.807354922,3.496507561,4.234106505,5.043425117,5.802118375,6.610696045,7.378383713,8.182838711,8.955835144,9.75643661,73.46034778,2.708050201,0,3.931825633,2.397895273,5.303304908,4.59511985,6.736966958,6.502790046,8.206583614,8.621913502,98.10955045,4.671883355,13.45353991,1.921934272,0,0,0,41,4,3.861,32,1.343117981,2.387748184,3.30076489,4.055729021,4.90477517,5.618364738,0,0,0,0,95.70321648,107.3145279,66.93564181,32.92165967,19.89113576,5.708618149,0,0,0,0,339.7181944,434.5736926,389.9333773,280.5345184,264.8975453,174.6398136,0,0,0,0,9.8140227,17.10377092,23.25362753,27.88951434,33.48908162,37.74678123,0,0,0,0,2.502707816,3.446192002,3.543437782,2.966017675,3.079844572,2.497997467,0,0,0,0,189.8352978,361.5686675,526.5937837,699.5695377,864.2433504,1038.934816,0,0,0,0,2.571827921,3.916571251,5.04690928,5.187680066,6.248886434,5.618364738,0,0,0,0,0.516208864,0.721163011,0.758827304,0.652475557,0.687198687,0.575320549,0,0,0,0,309.3326009,110.9250774,7.864350977,35.03379773,-12.56293942,-1.942871016,274.2988032,123.4880168,9.807221993,0.898265923,0.322113533,0.022837161,0.101734077,-0.036481316,-0.005641872,106.5237538,38.19886944,2.708218224,12.06446275,-4.326254204,-0.669059495,0.082656363,0.173762382,1.532306508,1.699488296,344.3663987,0,1,0,340.3421315,18.44836393,6.981872358,475.9606367,21.8165221,7.807710088,540.9259275,23.25781433,8.147904551,1.170540799,1.079704131,380.6148952,359.2357983,138.1975316,1.059512713,2.754136711,2.599437154,4.130397679,3.964631517,7.232820171,0.824336042,3.904607748,3.492871915,2.203786955,9.905142693,10.1560406,6.933149317,5.684510452,10.86158054,4.289390457,1.376926042,1.954472533,0.667930616,0.004424831,7.94E-04,2.75E-26,1.83E-70,2.36E-136,5.86E-224,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,3.492623452,0.747249648,3.211139567,1.164599427,2.579858486,0.302784826,0.42632748,0.460604942,0.098123644,0.023665484,0.00472018,3.12E-05,5.59E-06,1.94E-28,1.29E-72,1.66E-138,4.13E-226,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,3.492640606,0.979796962,4.165462939,2.373448994,3.191054992,1.007074656,1.52651488,0.918209089,0.328241316,0.168882175,0.049063152,3.25E-04,5.83E-05,2.02E-27,1.35E-71,1.73E-137,4.30E-225,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,3.492844831,2.09170778,9.349565538,9.383957741,6.568507993,5.215577745,9.858407852,3.940398327,1.287702623,1.748216559,0.595125095,0.003942445,7.07E-04,2.45E-26,1.63E-70,2.10E-136,5.22E-224,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,3.492662347,1.158662878,4.942926757,3.389305738,3.692988914,1.607604108,2.587548826,1.328522286,0.495388641,0.342473094,0.106532621,7.05E-04,1.27E-04,4.38E-27,2.92E-71,3.76E-137,9.35E-225,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,3.492985676,2.64477942,12.12771149,13.26636384,8.394678047,7.579111867,14.98955131,5.711667093,1.719697268,2.818123535,0.974062203,0.0064532,0.001157883,4.01E-26,2.67E-70,3.44E-136,8.55E-224,0,0,0,0,0,0,0,0,0,0,0,0,2.593793786,3.311288551,1.290460218,6.065826389,5.455404525,4.588287564,2.969007901,5.035033834,2.670022247,0.851099565,0.818632869,0.262551613,0.001738784,3.12E-04,1.08E-26,7.21E-71,9.28E-137,2.30E-224,0,0,0,0,0,0,0,0,0,0,0,0,3.841498335,1.325580748,1.152801804,0.607843471,0.209747742,0.495868308,0.385181716,0.554347888,6.319880886,11.04883432,23.23903127,0.411765207,1.435397913,3.067508003,0.813448624,0.602042661,0.684253511,0.181451874,0.316269641,0.144907374,0.150377324,4.482999288,4.831761619,10.81701398,0.526380267,0.611554339,3.374731392,1.016890157,0.820927487,0.647424392,0.195085005,0.382710194,0.226582341,0.280394025,5.212549036,7.036933978,15.06668543,0.471136588,0.889686559,3.822319267,1.312905142,1.139180464,0.609192321,0.209247756,0.490927953,0.377848408,0.541290478,6.274404873,10.86828995,22.8594927,0.413788481,1.410066839,3.511753166,1.107553856,0.918432365,0.63414923,0.20000108,0.414399007,0.268834102,0.351296901,5.537739386,8.131976831,17.24191827,0.451223844,1.03453001,3.901547992,1.365263976,1.195442174,0.603744128,0.211267453,0.511497925,0.40859339,0.596220488,6.462254141,11.62281207,24.4527598,0.405616192,1.516311802,3.839437477,1.313315945,1.142992541,0.609846315,0.208603707,0.495332478,0.378207276,0.545018408,6.295745962,10.93195318,22.99111839,0.414769473,1.418558162 +UMLKV0062,L,"TRANS-1,2-DIMETHYLCYCLOPENTANE",CC1CCCC1C,C7H14,Naphthene - major structure is saturated ring,cyclopentanes,822-50-4,2.670966137,PubChem,,0.587,0,0.49,0.2401,28.8858,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1598.091777,1152.266813,345.266208,33.530112,0,0,0,3399.790734,4570.930941,6845.084609,6609.22061,3915.664359,1025.763566,0,0,0,146.842108,152.43046,299.153988,407.352884,386.612352,221.709312,0,0,0,25.74688067,35.11192034,55.82667958,60.25265173,42.29053921,14.67222586,0,0,0,3476.407621,3031.276161,6480.349218,9353.573791,9528.715801,6102.282517,0,0,0,32.30555556,39.27777778,65.58333333,86.66666667,76,33,0,0,0,48.76541633,56.15943233,38.04980421,19.86666919,6.165468,1.016064,0,0,0,161.8947969,217.6633782,162.978205,113.9520795,69.92257783,31.08374443,0,0,0,6.992481333,7.258593333,7.122714,7.023325586,6.903792,6.718464,0,0,0,1.226041937,1.671996207,1.329206657,1.038838823,0.7551882,0.444612905,0,0,0,165.54322,144.3464838,154.294029,161.2685136,170.1556393,184.917652,0,0,0,1.538359788,1.87037037,1.561507937,1.494252874,1.357142857,1,0,0,0,0.028022221,-0.003103427,-0.002554749,-0.012649821,-0.015286503,0.019583389,0,0,0,564.9747087,5.76E-13,-40.35533633,-390.1015846,-295.9391331,443.9086997,0,0,0,1050.594596,0,-75.04247115,-725.4105544,-550.3114551,825.4671826,0,0,0,0.110674667,1.58E-15,-0.007905333,-0.076418222,-0.057972444,0.086958667,0,0,0,4.696646663,7.55E-15,-0.335474762,-3.242922696,-2.460148252,3.690222378,0,0,0,25.51225921,2.26E-14,-1.822304229,-17.61560755,-13.36356435,20.04534652,0,0,0,2.145502646,-0.869047619,0.07010582,0.190728143,-1.76366843,1.299130763,0,0,0,0.001334391,-1.48E-04,-6.08E-05,-2.18E-04,-2.73E-04,5.93E-04,0,0,0,26.90355756,2.74E-14,-0.960841341,-6.725889389,-5.284627377,13.45177878,0,0,0,50.0283141,0,-1.786725503,-12.50707852,-9.826990269,25.01415705,0,0,0,0.005270222,7.54E-17,-1.88E-04,-0.001317556,-0.001035222,0.002635111,0,0,0,0.223649841,3.60E-16,-0.007987494,-0.05591246,-0.043931219,0.111824921,0,0,0,1.214869486,1.08E-15,-0.043388196,-0.303717372,-0.238635078,0.607434743,0,0,0,0.102166793,-0.04138322,0.001669186,0.003288416,-0.031494079,0.039367599,0,0,0,-0.110748785,-0.045584346,-0.163445557,-0.204567598,0.444724085,0,0,0,1.02E-15,-0.035714286,-0.25,-0.196428571,0.5,0,0,0,0,-0.035714286,-0.25,-0.196428571,0.5,0,0,0,1.43E-14,-0.035714286,-0.25,-0.196428571,0.5,0,0,0,1.61E-15,-0.035714286,-0.25,-0.196428571,0.5,0,0,0,8.88E-16,-0.035714286,-0.25,-0.196428571,0.5,0,0,0,-0.405055487,0.016337855,0.032186743,-0.308261406,0.385326757,0,0,0,1.539133254,1.125085185,1.181219544,1.103877295,0.002932177,0,0,0,1.428571429,1.224489796,1.256157635,0.994897959,0,0,0,0,1.428571429,1.224489796,1.256157635,0.994897959,0,0,0,0,1.428571429,1.224489796,1.256157635,0.994897959,0,0,0,0,1.428571429,1.224489796,1.256157635,0.994897959,0,0,0,0,1.428571429,1.224489796,1.256157635,0.994897959,0,0,0,0,1.923551171,0.813810111,0.96879119,1.414919852,0,0,0,0,23.43420441,11.71710221,15.93142195,23.43420441,3.347743488,11.71712643,-1.24E-14,1.55E-15,2.22E-16,-23.86842027,2000014.944,285716.4206,10.15606565,23.43420441,11.71710221,15.93142195,23.43420441,3.347743488,11.71712643,-1.24E-14,1.55E-15,2.22E-16,-23.86842027,2000014.944,285716.4206,10.15606565,23.43420441,11.71710221,15.93142195,23.43420441,3.347743488,11.71712643,-1.24E-14,1.55E-15,2.22E-16,-23.86842027,2000014.944,285716.4206,10.15606565,23.43420441,11.71710221,15.93142195,23.43420441,3.347743488,11.71712643,-1.24E-14,1.55E-15,2.22E-16,-23.86842027,2000014.944,285716.4206,10.15606565,23.43420441,11.71710221,15.93142195,23.43420441,3.347743488,11.71712643,-1.24E-14,1.55E-15,2.22E-16,-23.86842027,2000014.944,285716.4206,10.15606565,23.43420441,11.71710221,15.93142195,23.43420441,3.347743488,11.71712643,-1.24E-14,1.55E-15,2.22E-16,-23.86842027,2000014.944,285716.4206,10.15606565,27.63442204,13.72792531,19.04333936,27.50687102,3.929553003,13.72792832,-0.178571429,5.55E-17,7.93E-18,-26.20096343,2000013.389,285716.1984,10.1560651,0,11.89,12.11009426,-0.161991011,0.059123906,5.967485133,8.083177037,7,21,21,21,7,0,0,0,0,0,15.304898,3.674621628,2.789753075,2.775925443,2.158317772,1.783344422,1.125623415,0.809020034,0.083923071,1.845648904,1.74370311,1.358560567,1.096183233,0.635990707,0.563489532,0.285568241,0.083923071,3.697346835,2.836186318,2.82122111,2.225457131,1.862796824,1.245362533,0.94155887,0.270913902,1.787821245,1.676838524,1.25526902,0.981528758,0.491020493,0.42111061,0.119943658,0.270913902,3.797744247,3.040102369,3.020402643,2.50910004,2.193573484,1.717806665,1.459674177,0.943918427,1.621444011,1.478408808,0.927910733,0.610271012,0.004565895,0.054593717,0.457032105,0.943918427,3.714110085,2.870443191,2.85464941,2.2743801,1.920426709,1.330656492,1.035689916,0.399277246,1.751312057,1.634087621,1.187442437,0.905628807,0.393763383,0.325740607,0.007440272,0.399277246,3.846994218,3.138028166,3.11626367,2.639170421,2.342545098,1.918111792,1.676939727,1.207644823,1.570816098,1.416129998,0.818480567,0.483241901,0.168364448,0.222854153,0.672910631,1.207644823,3.701038098,3.018486101,2.954726748,2.367407023,2.020666552,1.464738062,1.177282321,0.626865672,1.726182736,1.602219505,0.985075512,0.738065509,0.244543871,0.188479439,0.16828137,0.626865672,0,0,0,0,0,2,3,2,0,0,0,0.11785113,0.23570226,0.11785113,0,0,0.11785113,0.23570226,0.11785113,0.471404521,0,0.166666667,0,0.471404521,0,0.166666667,0,1.138071187,1.040440115,0.471404521,1.138071187,1.040440115,0.471404521,5.276020882,3.304530453,2.885471428,2.290336414,1.330837275,0.471404521,0.11785113,0,0.753717269,0.472075779,0.320607936,0.229033641,0.147870808,0.11785113,0.11785113,0,5.276020882,3.304530453,2.885471428,2.290336414,1.330837275,0.471404521,0.11785113,0,0.753717269,0.472075779,0.320607936,0.229033641,0.147870808,0.11785113,0.11785113,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.4425,32.179,22.72605141,32.15573699,45.45210282,6.493157545,22.72605141,6.66E-16,9.52E-17,-24.46152877,2000014.366,285716.338,10.15606544,36,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,4.717592593,0,4.421296296,0,0,0,2.027777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.358796296,0,1.47337963,0,0,0,1.013888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.358796296,0,1.474537037,0,0,0,1.013888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.16666667,1.595238095,0.2,2.358796296,0.2,1.013888889,5.03087037,0.319444444,0.358796296,1.435185185,0.319444444,0.358796296,1.435185185,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.28571,0.28571,0,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.93161,0.99023,6.93161,0,0,3.30452,0.47207,3.30452,0,0,0.10948,0.01564,0.19548,0.02793,0.238095238,7,0,0,0,0,0,0,1,0.918295834,1.437181403,2.534243613,2.796613851,2.796613851,2.796613851,19.28421252,30.18080947,53.21911587,58.72889087,58.72889087,58.72889087,0.209068641,0.327203447,0.576971874,0.636705771,0.636705771,0.636705771,3.474021589,2.95513602,1.85807381,1.595703572,1.595703572,1.595703572,0.209068641,0.327203447,0.576971874,0.636705771,0.636705771,0.636705771,6.73287657,12.9595034,15.50715994,15.77158323,15.77158323,15.77158323,27.64912502,20.43243106,19.72855157,19.09910259,19.09910259,19.09910259,5.142857143,1.851851852,0.96,0,0,0,2.23,0.9863,0.333333333,2.289428485,2.828427125,0,2.381101578,3.77976315,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.167,9,10,9,4,1,0,0,0,0,47,2.079441542,2.302585093,2.397895273,2.302585093,1.609437912,0.693147181,0,0,0,0,3.871201011,1,0.333333333,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,0,2,3,0.5,1.5,1.111111111,0.444444444,0,0,0,0,0,0,0,0.214285714,0.12345679,0.088888889,0,0,0,0,0,0,0,0.426631393,11.71710221,15.93142195,23.43420441,3.347743488,11.71712643,1.55E-15,2.22E-16,-23.86842027,2000014.944,285716.4206,10.15606565,0,117.2718924,3.807354922,3.496507561,4.262679877,5.056245805,5.843544417,6.639875834,7.431891917,8.228176896,9.021719013,9.817548328,73.79818965,2.708050201,0,3.931825633,2.397895273,5.332718793,4.59511985,6.801283034,6.502790046,8.302761581,8.69684452,98.10955045,4.671883355,13.45392692,1.92198956,0,0,0,40,5,3.861,32,1.343117981,2.38779246,3.299725259,4.053811144,4.853388281,0,0,0,0,0,95.70321648,107.3389194,74.74643336,26.9243526,4.93135311,0,0,0,0,0,339.7181944,434.6345101,404.3570979,298.0150985,150.8614809,0,0,0,0,0,9.8140227,17.10416239,23.24772949,28.05615555,32.60731444,0,0,0,0,0,2.502707816,3.44654372,3.607271163,3.177836971,2.157879062,0,0,0,0,0,189.8352978,361.5706947,526.7903806,684.2439803,897.4771652,0,0,0,0,0,2.572098775,3.891189794,5.084689993,5.641439902,4.853388281,0,0,0,0,0,0.516208864,0.721231851,0.770516788,0.698044094,0.49698696,0,0,0,0,0,299.3776792,107.2283249,7.595061007,55.0036914,-19.70071284,-2.974103307,244.3739878,126.9290377,10.56916431,0.844789552,0.302578899,0.021431886,0.155210448,-0.055591841,-0.008392381,106.0938723,37.99972073,2.69154813,19.49228355,-6.98156562,-1.053966806,0.083406084,0.173345545,1.136589861,1.662702507,354.3813706,0,1,0,340.3421315,18.44836393,6.981872358,475.9606367,21.8165221,7.807710088,544.6804778,23.33839064,8.166712555,1.389973414,1.373474088,377.6488888,254.4245119,198.00027,1.484325885,1.90731502,1.28497053,4.135072034,3.92354855,6.541971623,0.667360946,3.904607748,3.492871915,2.204618468,9.832160255,15.04962439,7.218063573,8.054083417,12.20490791,7.030902774,1.932365881,0.944889658,0.838482379,7.74E-10,1.38E-40,4.74E-93,3.14E-167,4.01E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,3.492623452,0.747334741,3.23946223,1.892688257,2.449349405,1.152103609,0.536980615,0.211973495,0.05343506,0.006656161,0.0059055,5.45E-12,9.71E-43,3.34E-95,2.21E-169,2.83E-265,0,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,3.492640606,0.980061562,4.234193892,3.415229418,3.043755067,2.202078612,1.931856993,0.933388641,0.24414349,0.069352705,0.061539863,5.68E-11,1.01E-41,3.48E-94,2.30E-168,2.95E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,3.492844831,2.092503201,9.304395419,13.83271055,6.792052002,7.504594178,11.14150991,6.376261427,1.749125255,0.841880518,0.747072704,6.90E-10,1.23E-40,4.22E-93,2.80E-167,3.58E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,3.492662347,1.159042645,5.021258792,4.805745752,3.564326064,3.029408345,3.182396156,1.627695041,0.432311516,0.150640325,0.133672805,1.23E-10,2.20E-41,7.55E-94,5.01E-168,6.40E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,3.492985676,2.645733659,11.92721545,20.02248557,8.947623981,10.23274259,16.53856421,9.724058029,2.688275116,1.378028765,1.222847749,1.13E-09,2.01E-40,6.91E-93,4.58E-167,5.85E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,2.593793786,3.311288562,1.301683235,6.206914417,8.057035381,4.63631339,5.106718963,6.25999712,3.58511921,0.872965771,0.371310636,0.329490514,3.04E-10,5.42E-41,1.86E-93,1.23E-167,1.58E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,2.954408923,2.287101929,0.86822798,0.483557318,0.374337102,0.487018215,0.515842603,0.507143811,6.109738831,11.30786072,23.28424583,0.28684163,1.51000463,2.214030181,1.637885016,0.381356231,0.523006903,0.38690763,0.266191358,0.251813619,0.098117557,4.233271427,5.095278717,10.71147249,0.3648718,0.616122534,2.506924787,1.895778705,0.57583988,0.503545837,0.380789834,0.344919173,0.344201513,0.223980219,4.978543372,7.287826876,15.00309225,0.326503506,0.913100905,2.935968245,2.271036881,0.85627766,0.4842209,0.374555659,0.480631987,0.50803589,0.493407965,6.063282785,11.12633433,22.89901295,0.288164838,1.482075842,2.637991196,2.010723924,0.662026633,0.496727448,0.378614517,0.383778014,0.390636605,0.295869369,5.310741753,8.381845227,17.20415632,0.313012947,1.070283988,3.01217465,2.337393221,0.905612437,0.481548813,0.373673197,0.507321398,0.540705826,0.551284508,6.255180308,11.8852718,24.51654019,0.282833014,1.599311732,2.947207793,2.27775664,0.857863423,0.484512773,0.374456863,0.485452817,0.513000902,0.494930584,6.082827855,11.19532799,23.03701198,0.288454455,1.493384303 +UMLKV0063,L,N-PROPYLCYCLOPENTANE,CCCC1CCCC1,C8H16,Naphthene - major structure is saturated ring,Naphthenes,2040-96-2,2.808806461,PubChem,,0.7256,0,-0.352,0.123904,30.7917,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1670.734305,1161.411389,851.712292,525.761042,141.39216,12.192768,0,3885.475125,5223.921076,7533.504307,6888.974309,4983.479756,3502.884042,1769.041052,373.0049332,0,167.819552,174.20624,341.85978,467.81906,387.505552,270.849224,205.5456,80.621568,0,29.42500648,40.12790896,62.50794544,64.25416788,47.65409916,34.06924277,20.0277012,5.335354858,0,3973.037281,3464.315612,7399.084504,11017.83266,9486.993243,6523.229959,5229.578518,2219.011824,0,35.27777778,43.33333333,74.25,90.66666667,72.5,54,37,12,0,48.76541633,56.15943233,34.80696469,17.33449834,15.20914807,13.48105236,4.713072,1.016064,0,161.8947969,217.6633782,156.9480064,102.8205121,88.99070993,89.81753955,58.96803508,31.08374443,0,6.992481333,7.258593333,7.12207875,6.98237403,6.919742,6.944851897,6.85152,6.718464,0,1.226041937,1.671996207,1.302248863,0.959017431,0.850966056,0.873570327,0.66759004,0.444612905,0,165.54322,144.3464838,154.1475938,164.4452636,169.4105936,167.2623067,174.3192839,184.917652,0,1.469907407,1.805555556,1.546875,1.353233831,1.294642857,1.384615385,1.233333333,1,0,0.032888157,-0.001637627,-0.011866081,-0.01197559,0.008087382,-0.005059163,-0.001254792,0.007261791,0,645.6853813,6.47E-13,-201.7766817,-269.0355756,107.6142302,-121.066009,-5.01E-13,161.4213453,0,1200.679538,0,-375.2123557,-500.283141,200.1132564,-225.1274134,1.42E-13,300.1698846,0,0.126485333,2.94E-15,-0.039526667,-0.052702222,0.021080889,-0.023716,-1.83E-15,0.031621333,0,5.367596186,1.22E-14,-1.677373808,-2.236498411,0.894599364,-1.006424285,-7.13E-15,1.341899046,0,29.15686767,-1.14E-13,-9.111521147,-12.14869486,4.859477945,-5.466912688,6.99E-14,7.289216918,0,1.828703704,-0.347222222,-0.518518519,-0.514853395,0.617283951,-0.256365741,-0.28587963,0.391203704,0,0.00137034,-6.82E-05,-2.47E-04,-1.79E-04,1.44E-04,-1.30E-04,-4.18E-05,6.05E-04,0,26.90355756,2.69E-14,-4.203680868,-4.015456352,1.921682683,-3.104256641,-1.67E-14,13.45177878,0,50.0283141,0,-7.816924078,-7.466912552,3.573451007,-5.77249778,4.74E-15,25.01415705,0,0.005270222,1.22E-16,-8.23E-04,-7.87E-04,3.76E-04,-6.08E-04,-6.11E-17,0.002635111,0,0.223649841,5.07E-16,-0.034945288,-0.033380573,0.015974989,-0.025805751,-2.38E-16,0.111824921,0,1.214869486,-4.74E-15,-0.189823357,-0.181323804,0.086776392,-0.140177248,2.33E-15,0.607434743,0,0.076195988,-0.014467593,-0.010802469,-0.007684379,0.011022928,-0.006573481,-0.009529321,0.032600309,0,-0.049793812,-0.180400513,-0.130434897,0.105388115,-0.094664196,-0.030522641,0.441605224,0,1.00E-15,-0.15625,-0.149253731,0.071428571,-0.115384615,-6.21E-16,0.5,0,0,-0.15625,-0.149253731,0.071428571,-0.115384615,9.47E-17,0.5,0,2.32E-14,-0.15625,-0.149253731,0.071428571,-0.115384615,-1.16E-14,0.5,0,2.26E-15,-0.15625,-0.149253731,0.071428571,-0.115384615,-1.06E-15,0.5,0,-3.90E-15,-0.15625,-0.149253731,0.071428571,-0.115384615,1.92E-15,0.5,0,-0.189873418,-0.141772152,-0.100850179,0.144665461,-0.086270691,-0.125063291,0.427848101,0,1.488605628,1.315803524,1.046096484,0.752117971,1.054393045,0.791181367,0.004254605,0,1.4375,1.34765625,1.094216418,0.770089286,0.995192308,0.71875,0,0,1.4375,1.34765625,1.094216418,0.770089286,0.995192308,0.71875,0,0,1.4375,1.34765625,1.094216418,0.770089286,0.995192308,0.71875,0,0,1.4375,1.34765625,1.094216418,0.770089286,0.995192308,0.71875,0,0,1.4375,1.34765625,1.094216418,0.770089286,0.995192308,0.71875,0,0,1.688607595,1.113607595,0.902097109,0.655063291,1.289970789,1.152911392,0,0,34.64041819,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,3.55E-15,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,34.64041819,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,3.55E-15,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,34.64041819,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,3.55E-15,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,34.64041819,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,3.55E-15,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,34.64041819,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,3.55E-15,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,34.64041819,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,3.55E-15,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,37.71871477,18.81248238,29.35679057,37.64840227,4.706050283,18.8124824,-0.09375,0.119028274,0.014878534,-1.702715376,42.34760396,5.293450495,2.996729474,0,11.9,12.10012615,-0.151266825,0.048875396,5.259996263,8.391630245,8,24,24,24,8,0,0,0,0,0,17.491312,3.6567187,3.180951317,2.573024244,2.459820995,2.005678821,1.381928873,1.19006016,0.894438791,1.877259681,1.724171079,1.580445998,1.113224603,0.757863935,0.694816327,0.581995608,0.341460107,3.6806131,3.217776079,2.62142375,2.510897621,2.077203467,1.488518974,1.30885592,1.024518777,1.818620119,1.655976007,1.501159025,1.000668144,0.62194973,0.5547587,0.430761689,0.178603058,3.785626259,3.37852753,2.834266703,2.734801489,2.37973263,1.91761404,1.778468089,1.532127056,1.648286645,1.452583651,1.259608887,0.640589985,0.172849073,0.089316143,0.085436307,0.387981694,3.698209366,3.244859416,2.657155352,2.548571849,2.12937023,1.56499256,1.39352899,1.116809137,1.781464012,1.612285733,1.449902772,0.926476281,0.531260614,0.46111033,0.328739698,0.068039495,3.83681691,3.455783686,2.936493816,2.841861735,2.518216663,2.103320642,1.978039144,1.744985306,1.595874611,1.38842831,1.181990323,0.51921808,0.016182923,0.074111228,0.273467612,0.59975609,3.699262192,3.355402744,2.759134657,2.610468539,2.248749545,1.721877924,1.556921198,1.279604153,1.744507878,1.553333565,1.321993874,0.749890553,0.370812929,0.289136276,0.140230216,0.127673528,0,0,0,0,0,1,6,1,0,0,0,0.144337567,0.102062073,0.072168784,0,0,0.144337567,0.102062073,0.072168784,0.204124145,0,0,0,0.204124145,0,0,0,0.433012702,0.65464793,0.348461713,0.433012702,0.65464793,0.348461713,5.819990956,3.931851653,2.939157589,2.171668296,1.707286396,0.696923425,0.348461713,0.144337567,0.72749887,0.491481457,0.326573065,0.21716683,0.155207854,0.116153904,0.087115428,0.072168784,5.819990956,3.931851653,2.939157589,2.171668296,1.707286396,0.696923425,0.348461713,0.144337567,0.72749887,0.491481457,0.326573065,0.21716683,0.155207854,0.116153904,0.087115428,0.072168784,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.9767,36.866,28.3399353,42.00992493,56.67987059,7.084983824,28.3399353,0.132422925,0.016552866,-1.6174036,28.94593476,3.618241845,2.692343817,64,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,1,0,6,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,2.29,0,8.932222222,0,0,0,1.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.29,0,1.393518519,0,0,0,1.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.29,0,1.521666667,0,0,0,1.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.33333333,1.541666667,0.2,2.29,0.2,1.111111111,5.766833333,0.222222222,0.29,0.685185185,0.222222222,0.29,0.685185185,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.125,0.125,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,7.89328,0.98666,7.89328,0,0,3.93185,0.49148,3.93185,0,0,-0.01785,-0.00223,0.06815,0.00852,0.208333333,8,0,0,0,0,0,0,1,0.918295834,1.272055209,2.312907292,3.04248125,3.153107168,3.022055209,22.03910002,30.52932501,55.509775,73.01955001,75.67457204,72.52932501,0.200284263,0.277440701,0.504455007,0.663578219,0.687706207,0.659123212,3.666666667,3.312907292,2.272055209,1.54248125,1.431855332,1.562907292,0.200284263,0.277440701,0.504455007,0.663578219,0.687706207,0.659123212,6.73287657,10.97798907,16.03678815,16.77207105,17.2293066,15.8354706,31.59900002,26.53208126,21.08972448,20.41052656,19.44799209,21.55213073,6.125,3.111111111,1.8,3,0,3,2.34,1.1272,0,1.969259364,0.333333333,0,7.383136998,4.242640687,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,3.894,9,10,11,6,4,2,0,0,0,58,2.197224577,2.302585093,2.397895273,2.48490665,1.945910149,1.609437912,1.098612289,0,0,0,4.077537444,1,0.4,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,3,0.375,0,3,5,0.666666667,1,0.444444444,0.222222222,0.125,0.08,0,0,0,0,0,0.125,0.049382716,0.044444444,0.03125,0.04,0,0,0,0,0,0.29007716,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,0,134.567877,4,3.555348061,4.290459441,5.056245805,5.814130532,6.588926478,7.353081921,8.129469765,8.896040502,9.672374832,75.35607734,2.833213344,0,3.970291914,2.397895273,5.283203729,4.442651256,6.680854679,6.259581464,8.12474302,8.529319371,112.1252005,4.671883355,15.59010547,1.948763183,0,0,0,67,5,4.491,34,1.331436567,2.361972638,3.165652896,3.943421758,5.142612316,6.137942022,7.4569142,0,0,0,94.01800751,93.36179794,64.26725449,74.65076459,81.97005862,32.24280659,7.576702069,0,0,0,334.770918,402.6088497,352.3931561,398.7867445,505.0250124,386.9397135,231.7888152,0,0,0,9.725938808,16.89469797,22.16503274,27.41990316,35.84073351,42.17351277,50.0990096,0,0,0,2.47012952,3.270768803,3.200316594,3.665936772,4.777052743,4.297520496,3.315440283,0,0,0,188.3541604,358.8720753,516.1668496,658.1796565,850.6830486,1060.460576,1378.915065,0,0,0,2.494821346,3.752098019,4.370305691,5.319763673,7.354286824,7.782652891,7.4569142,0,0,0,0.509638069,0.687171677,0.686310181,0.788987414,1.031405456,0.951170135,0.763588014,0,0,0,336.1887675,139.9999529,8.653614775,52.92808041,-22.04097661,-2.878615351,283.2606871,162.0409295,11.53223013,0.863978955,0.359788978,0.022239116,0.136021045,-0.056643594,-0.007397817,130.8167135,54.47634038,3.367267305,20.59520782,-8.576515346,-1.120117732,0.071750613,0.156469216,0.872998791,1.441778533,389.116848,0,1,0,402.4237007,20.06050101,7.38291469,557.416278,23.60966493,8.229874559,652.7942547,25.54983864,8.674786092,1.615042933,1.615042933,688.1689553,637.2749632,114.2638666,1.079861904,6.022629688,5.577222111,4.545588214,4.466158665,8.815689176,0.973886249,4.462408855,4.441412524,2.465209864,15.34341864,10.49059757,7.474689727,9.018920009,17.00311868,4.758239052,3.87035923,5.589008986,1.851278374,4.303351157,1.089208272,1.375191484,0.008931927,0.033811293,4.60E-21,1.22E-61,6.24E-124,6.15E-208,1.16961470666E-313,0,0,0,0,0,0,0,0,0.374499053,4.441098819,0.766120239,5.349114402,0.72804976,1.868260915,0.553390636,0.834521502,0.261866085,1.176272704,1.234939164,0.093433362,0.28497845,0.018268677,0.028956736,6.31E-05,2.38E-04,3.24E-23,8.59E-64,4.39E-126,4.33E-210,8.23769204E-316,0,0,0,0,0,0,0,0,1.208928595,4.441120411,1.042735662,6.764280481,1.745376666,2.484324726,1.736267949,2.705343424,0.924697607,1.616232664,1.918440476,0.342422176,0.67347602,0.107166327,0.150442586,6.56E-04,0.002481558,3.38E-22,8.95E-63,4.58E-125,4.51E-209,8.584310207E-315,0,0,0,0,0,0,0,0,4.212149946,4.441378305,2.336356614,14.51051106,9.547871083,6.944563286,8.307821779,15.50756716,4.392772944,3.666528788,5.249842766,1.704811976,3.904614668,0.977761155,1.238540184,0.007958314,0.030125254,4.10E-21,1.09E-61,5.56E-124,5.48E-208,1.0421056464E-313,0,0,0,0,0,0,0,0,1.781738316,4.441147835,1.253468794,7.921288768,2.733361262,3.064104689,2.710132874,4.4140621,1.455417743,1.950900943,2.4485878,0.545954456,1.068359362,0.206703565,0.279359537,0.001424527,0.005390275,7.33E-22,1.94E-62,9.94E-125,9.80E-209,1.864626886E-314,0,0,0,0,0,0,0,0,5.389004952,4.44155627,2.970495092,18.67830142,14.37289084,9.649725787,11.87075724,23.11468168,6.213812437,4.669220088,6.927235656,2.43769149,5.953111562,1.553945712,1.942730392,0.013025772,0.049310594,6.71E-21,1.78E-61,9.09E-124,8.97E-208,1.7057731274E-313,0,0,0,0,0,0,0,0,2.972766162,4.31031944,1.635171322,10.27421475,5.252776752,4.313352886,4.980177525,8.653044657,2.613162818,3.043079569,3.827436407,1.00451472,2.164980679,0.511521193,0.660689846,0.003759079,0.014225935,1.94E-21,5.13E-62,2.62E-124,2.59E-208,4.9210962093E-314,0,0,0,0,0,0,0,0,6.371214618,1.237775652,0.768264571,0.760537281,0.147754327,0.517956011,0.361318013,0.429348092,8.377254841,13.73185197,28.16774442,0.640805921,1.308622116,5.418923789,0.736701306,0.282806567,0.841652762,0.114422478,0.374545881,0.128376632,0.058320369,6.438431662,5.732979431,13.30041117,0.762479143,0.561242881,5.79705776,0.935747749,0.475663788,0.804200937,0.129812268,0.428699727,0.206869095,0.164832625,7.208469297,8.62713552,18.41588287,0.706301405,0.800401447,6.34763043,1.225373885,0.756250726,0.762088614,0.147116865,0.514122655,0.354139247,0.41605171,8.329255042,13.50531058,27.71685057,0.643132921,1.284313612,5.965645104,1.024455006,0.561606655,0.789973087,0.135658738,0.454028306,0.247818511,0.229678506,7.551706765,10.03722173,21.02120722,0.68495963,0.931525324,6.445052843,1.276601267,0.805875287,0.755793682,0.149703532,0.530050203,0.384254855,0.472319919,8.527529397,14.45045285,29.60853281,0.633690523,1.386624977,6.369840912,1.22743943,0.758809276,0.762299258,0.146891607,0.517739716,0.355326386,0.418748051,8.356089618,13.58348069,27.87239189,0.643448886,1.291814152 +UMLKV0064,L,CYCLOHEXANE,C1CCCCC1,C6H12,Naphthene - major structure is saturated ring,Naphthenes,110-82-7,2.550421257,PubChem,,0.9407,0,-1.728,2.985984,17.4696,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,1010.869782,1162.251222,747.748011,169.670592,12.192768,0,0,0,2914.106344,3917.940807,5481.28267,4770.239364,2122.849263,373.0049332,0,0,0,125.864664,130.65468,256.377048,354.687852,246.65472,80.621568,0,0,0,22.06875486,30.09593172,46.12614087,45.76247316,24.03324144,5.335354858,0,0,0,2979.777961,2598.236709,5545.213194,8493.347862,6275.494221,2219.011824,0,0,0,25.5,31.5,55.5,66.75,42,12,0,0,0,48.76541633,56.15943233,32.28475617,14.66172571,4.713072,1.016064,0,0,0,161.8947969,217.6633782,152.2578519,93.53410519,58.96803508,31.08374443,0,0,0,6.992481333,7.258593333,7.121584667,6.954663765,6.85152,6.718464,0,0,0,1.226041937,1.671996207,1.281281691,0.897303395,0.66759004,0.444612905,0,0,0,165.54322,144.3464838,154.0336998,166.5362326,174.3192839,184.917652,0,0,0,1.416666667,1.75,1.541666667,1.308823529,1.166666667,1,0,0,0,0.025088129,2.17E-18,-0.012544065,-0.00836271,-3.25E-18,0.00836271,0,0,0,484.264036,5.04E-13,-242.132018,-161.4213453,-6.15E-13,161.4213453,0,0,0,900.5096538,2.98E-13,-450.2548269,-300.1698846,-4.33E-13,300.1698846,0,0,0,0.094864,1.35E-15,-0.047432,-0.031621333,-1.35E-15,0.031621333,0,0,0,4.025697139,2.94E-15,-2.01284857,-1.341899046,-4.00E-15,1.341899046,0,0,0,21.86765075,6.44E-14,-10.93382538,-7.289216918,-6.84E-14,7.289216918,0,0,0,1,-3.47E-16,-0.5,-0.333333333,1.80E-16,0.333333333,0,0,0,0.001393785,1.20E-19,-3.48E-04,-1.64E-04,-9.04E-20,6.97E-04,0,0,0,26.90355756,2.80E-14,-6.725889389,-3.165124418,-1.71E-14,13.45177878,0,0,0,50.0283141,1.66E-14,-12.50707852,-5.885684011,-1.20E-14,25.01415705,0,0,0,0.005270222,7.53E-17,-0.001317556,-6.20E-04,-3.74E-17,0.002635111,0,0,0,0.223649841,1.63E-16,-0.05591246,-0.026311746,-1.11E-16,0.111824921,0,0,0,1.214869486,3.58E-15,-0.303717372,-0.142925822,-1.90E-15,0.607434743,0,0,0,0.055555556,-1.93E-17,-0.013888889,-0.006535948,5.01E-18,0.027777778,0,0,0,8.64E-17,-0.25,-0.117647059,-6.48E-17,0.5,0,0,0,1.04E-15,-0.25,-0.117647059,-6.35E-16,0.5,0,0,0,3.31E-16,-0.25,-0.117647059,-2.41E-16,0.5,0,0,0,1.43E-14,-0.25,-0.117647059,-7.10E-15,0.5,0,0,0,7.31E-16,-0.25,-0.117647059,-4.96E-16,0.5,0,0,0,2.94E-15,-0.25,-0.117647059,-1.56E-15,0.5,0,0,0,-3.47E-16,-0.25,-0.117647059,9.02E-17,0.5,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,0,11.9,12.1000824,-0.152797442,0.047284962,6.45375,6.653832404,6,18,18,18,6,0,0,0,0,0,13.118484,3.573186822,2.750129472,2.750129472,1.456797487,1.456797487,1.056465515,0.083923071,0.083923071,1.972542445,1.372874417,1.372874417,0.666206401,0.666206401,0.489263751,0.083923071,0.083923071,3.600648477,2.792995694,2.792995694,1.556142907,1.556142907,1.185878035,0.270913902,0.270913902,1.914964133,1.285229005,1.285229005,0.522081792,0.522081792,0.329734575,0.270913902,0.270913902,3.72034929,2.981537655,2.981537655,1.9628467,1.9628467,1.687973407,0.943918427,0.943918427,1.74405498,1.018928274,1.018928274,0.037619229,0.037619229,0.223569137,0.943918427,0.943918427,3.620820476,2.824624264,2.824624264,1.62787375,1.62787375,1.27745173,0.399277246,0.399277246,1.878174485,1.228596505,1.228596505,0.425347018,0.425347018,0.22154323,0.399277246,0.399277246,3.778078745,3.072480534,3.072480534,2.141548494,2.141548494,1.897819044,1.207644823,1.207644823,1.690174221,0.933903671,0.933903671,0.135164289,0.135164289,0.429566078,1.207644823,1.207644823,3.666666667,2.896805253,2.896805253,1.786299648,1.786299648,1.474809634,0.666666667,0.666666667,1.808142967,1.119632981,1.119632981,0.230138587,0.230138587,1.46E-16,0.666666667,0.666666667,0,0,0,0,0,0,6,0,0,0,0,0,0.125,0,0,0,0,0.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.3406,27.702,21,27,42,7,21,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,36,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,1.5,0.2,1.5,0.2,1.5,4.338,0,0,0,0,0,0,3,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0,0,0,3,0.5,3,0.5,0,0,-3,-0.5,0,0,5,0.83333,5,0,0,3,0.5,3,0,0,-0.086,-0.01433,0,0,0.333333333,6,0,0,0,0,0,0,1,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,16.52932501,16.52932501,16.52932501,16.52932501,16.52932501,16.52932501,0.220218789,0.220218789,0.220218789,0.220218789,0.220218789,0.220218789,3.251629167,3.251629167,3.251629167,3.251629167,3.251629167,3.251629167,0.220218789,0.220218789,0.220218789,0.220218789,0.220218789,0.220218789,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,23.69925001,23.69925001,23.69925001,23.69925001,23.69925001,23.69925001,4.166666667,2.222222222,1.333333333,0,0,0,2.12,0.8454,0,0,0,0,9.125465128,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.071,0.064,0.277,0.248,3.124,6,6,6,6,0,0,0,0,0,36,1.945910149,1.945910149,1.945910149,1.945910149,1.945910149,0,0,0,0,0,3.610917913,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,13,18,3,9.000420062,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,0,99.97590776,3.584962501,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,65.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921172722,84.09390038,4.671883355,11.8125,1.96875,0,0,0,27,3,3.414,24,1.215665947,2.074379101,2.769165856,3.596574681,4.089693115,0,0,0,0,0,77.3164608,74.52439015,41.96284432,16.39683731,4.155389945,0,0,0,0,0,285.7401037,335.9609385,270.4409159,207.9038666,127.1229756,0,0,0,0,0,8.852968597,14.81260568,19.31492079,24.62206198,27.47645596,0,0,0,0,0,2.147256838,2.776238206,2.577511614,2.367619398,1.818330336,0,0,0,0,0,173.6750992,316.7529272,456.6693335,628.5407219,756.2564483,0,0,0,0,0,2.178748381,3.259578383,3.694505166,4.171025122,4.089693115,0,0,0,0,0,0.444517095,0.584941195,0.556932658,0.526378009,0.418784575,0,0,0,0,0,290.9713009,92.17524248,7.681270207,76.20008249,-24.13901666,-4.023169444,214.7712184,116.3142591,11.70443965,0.792467262,0.251041466,0.020920122,0.207532738,-0.065743186,-0.010957198,106.8363351,33.84411129,2.820342608,27.9784897,-8.863156141,-1.47719269,0.083333333,0.166666667,1.81032095,0.471729772,367.1713834,0,1,0,434.5588978,20.84607632,7.574422894,550.8033308,23.46919962,8.197199771,642.6816409,25.35116646,8.62975828,1.169090596,1.154177849,182.6124473,110.2037714,101.5087077,1.657043538,1.798983076,1.085658303,3.079233852,3.651473827,4.684853365,0.283003408,3.347426595,3.674795795,4.905934579,8.466492148,13.26323839,3.209175198,6.437626672,0.50634263,9.37E-05,2.52E-29,1.32E-75,1.33E-143,2.61E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.281494244,3.674127838,0.388853104,2.220720186,0.746388657,0.243584491,0.046575979,0.003566213,6.60E-07,1.78E-31,9.29E-78,9.39E-146,1.84E-235,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.9073164,3.674173318,1.270328772,2.643423609,2.631529279,0.803280818,0.475658966,0.037162684,6.87E-06,1.85E-30,9.68E-77,9.79E-145,1.92E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.159732414,3.674722759,4.615054378,7.782653239,12.26000737,3.011476539,5.736660006,0.451142167,8.35E-05,2.25E-29,1.18E-75,1.19E-143,2.33E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336923691,3.674231519,1.887476386,3.18662964,4.124501233,1.201047437,1.030155174,0.080722316,1.49E-05,4.03E-30,2.10E-76,2.13E-144,4.16E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.042373668,3.675102714,5.999223782,11.34074458,17.24679984,3.959498418,9.384644447,0.738453138,1.37E-04,3.68E-29,1.92E-75,1.95E-143,3.81E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.231824381,3.674423282,3.20451608,4.979628373,7.754366674,2.065050348,2.864737904,0.225041169,4.16E-05,1.12E-29,5.86E-76,5.93E-144,1.16E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.720708356,1.540540271,0.622950455,0.443002102,0.396617227,0.592858473,0.540562305,0.424527571,3.884199082,4.682416834,10.21794576,0.259428993,1.557948348,1.137361705,1.034426015,0.172942371,0.485071484,0.441170614,0.258820991,0.243723903,0.032483827,2.344730091,1.552110653,4.100310303,0.389363148,0.535028721,1.369017678,1.235438217,0.35170131,0.463107197,0.417920338,0.375104478,0.347649494,0.13477387,2.956157205,2.607327309,6.158329868,0.321541302,0.857527842,1.70626349,1.528010311,0.611812367,0.443636314,0.397289672,0.582935372,0.531804754,0.409422214,3.846086168,4.585956914,10.02715307,0.261388978,1.52416234,1.472289886,1.325037604,0.431367945,0.456001477,0.410394114,0.433890576,0.399904231,0.20300516,3.228695436,3.157516875,7.227741921,0.299593387,1.036799966,1.76593219,1.579768228,0.657820025,0.441094835,0.39459477,0.624468349,0.568442316,0.473597785,4.003520443,4.990632298,10.82931508,0.253534408,1.66650845,1.710082389,1.531322963,0.61475705,0.443467419,0.397110599,0.585550657,0.534113107,0.413388993,3.856162402,4.611365223,10.0773848,0.260867028,1.533052757 +UMLKV0065,L,METHYLCYCLOHEXANE,CC1CCCCC1,C7H14,Naphthene - major structure is saturated ring,Naphthenes,108-87-2,2.686269741,PubChem,,0.766,0,-0.2194,0.04813636,26.1737,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1477.025768,1132.116893,431.027017,82.888848,6.096384,0,0,3399.790734,4570.930941,6619.957195,6504.082355,3827.665667,1257.525459,186.5024666,0,0,146.842108,152.43046,299.130272,419.991476,372.001636,183.394368,40.310784,0,0,25.74688067,35.11192034,54.8202553,59.80401473,40.40094347,15.34920546,2.667677429,0,0,3476.407621,3031.276161,6474.882305,9786.999304,9259.732723,4833.801083,1109.505912,0,0,31.02777778,38,65.33333333,84.83333333,68.16666667,30.5,6,0,0,48.76541633,56.15943233,35.16728019,18.86861488,7.981981796,3.069957333,1.016064,0,0,161.8947969,217.6633782,157.6180285,108.4013726,70.88269754,46.57501701,31.08374443,0,0,6.992481333,7.258593333,7.122149333,6.999857933,6.888919185,6.792384,6.718464,0,0,1.226041937,1.671996207,1.305244174,0.996733579,0.74816562,0.568489091,0.444612905,0,0,165.54322,144.3464838,154.1638644,163.1166551,171.4765319,179.0296697,184.917652,0,0,1.477513228,1.80952381,1.555555556,1.413888889,1.262345679,1.12962963,1,0,0,0.028633867,-0.001407354,-0.00797372,-0.012604541,-0.003573366,0.007573217,0.00366883,0,0,564.9747087,5.76E-13,-161.4213453,-282.4873543,-80.71067267,161.4213453,80.71067267,0,0,1050.594596,0,-300.1698846,-525.297298,-150.0849423,300.1698846,150.0849423,0,0,0.110674667,1.58E-15,-0.031621333,-0.055337333,-0.015810667,0.031621333,0.015810667,0,0,4.696646663,7.55E-15,-1.341899046,-2.348323331,-0.670949523,1.341899046,0.670949523,0,0,25.51225921,2.26E-14,-7.289216918,-12.75612961,-3.644608459,7.289216918,3.644608459,0,0,1.661375661,-0.432539683,-0.100529101,-0.56292517,-0.195389267,0.260770975,0.199924414,0,0,0.001363517,-6.70E-05,-1.90E-04,-2.10E-04,-6.62E-05,2.80E-04,6.11E-04,0,0,26.90355756,2.74E-14,-3.843365365,-4.708122572,-1.494642086,5.978568346,13.45177878,0,0,50.0283141,0,-7.146902014,-8.754954967,-2.779350783,11.11740313,25.01415705,0,0,0.005270222,7.54E-17,-7.53E-04,-9.22E-04,-2.93E-04,0.00117116,0.002635111,0,0,0.223649841,3.60E-16,-0.031949977,-0.039138722,-0.012424991,0.049699965,0.111824921,0,0,1.214869486,1.08E-15,-0.173552784,-0.21260216,-0.067492749,0.269970997,0.607434743,0,0,0.079113127,-0.020597128,-0.00239355,-0.009382086,-0.00361832,0.009658184,0.033320736,0,0,-0.049149977,-0.139235826,-0.154068928,-0.048531417,0.205710238,0.448451667,0,0,1.02E-15,-0.142857143,-0.175,-0.055555556,0.222222222,0.5,0,0,0,-0.142857143,-0.175,-0.055555556,0.222222222,0.5,0,0,1.43E-14,-0.142857143,-0.175,-0.055555556,0.222222222,0.5,0,0,1.61E-15,-0.142857143,-0.175,-0.055555556,0.222222222,0.5,0,0,8.88E-16,-0.142857143,-0.175,-0.055555556,0.222222222,0.5,0,0,-0.260350318,-0.030254777,-0.118590764,-0.045736023,0.122080679,0.421178344,0,0,1.477163724,1.274217785,1.13324702,0.849142722,0.429331252,0.003657132,0,0,1.428571429,1.326530612,1.142857143,0.833333333,0.396825397,0,0,0,1.428571429,1.326530612,1.142857143,0.833333333,0.396825397,0,0,0,1.428571429,1.326530612,1.142857143,0.833333333,0.396825397,0,0,0,1.428571429,1.326530612,1.142857143,0.833333333,0.396825397,0,0,0,1.428571429,1.326530612,1.142857143,0.833333333,0.396825397,0,0,0,1.751592357,0.979299363,1.100716561,0.916489738,0.613057325,0,0,0,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,26.751821,13.22427373,19.43909809,26.71185501,3.815979287,13.22428042,-0.093253968,0.001166081,1.67E-04,-4.727874868,26.92918315,3.847026164,2.305247402,0,11.9,12.10010405,-0.151390191,0.048727336,5.84037006,7.811257143,7,21,21,21,7,0,0,0,0,0,15.304898,3.619709833,2.947870273,2.750129472,2.19778794,1.456797487,1.282157777,0.909056138,0.083923071,1.992782358,1.526948,1.372874417,1.089355281,0.666206401,0.569924766,0.357956204,0.083923071,3.644947749,2.986968346,2.792995694,2.266448281,1.556142907,1.390133583,1.040076644,0.270913902,1.938180965,1.443918105,1.285229005,0.975931258,0.522081792,0.419185133,0.196789634,0.270913902,3.755653422,3.160130501,2.981537655,2.554776995,1.9628467,1.827874832,1.548123573,0.943918427,1.777717199,1.194734652,1.018928274,0.609339375,0.037619229,0.092397527,0.362426509,0.943918427,3.663523346,3.015874385,2.824624264,2.316381118,1.62787375,1.467847241,1.132774638,0.399277246,1.903434383,1.390527877,1.228596505,0.900910738,0.425347018,0.317667215,0.087474289,0.399277246,3.809466638,3.244459316,3.072480534,2.686061155,2.141548494,2.018054307,1.760298992,1.207644823,1.727635969,1.116178837,0.933903671,0.484038304,0.135164289,0.2769767,0.570760117,1.207644823,3.681198327,3.12201655,2.868984444,2.470134731,1.76184368,1.610949006,1.296202187,0.646153846,1.867136902,1.270256483,1.146459064,0.71677011,0.253599829,0.137317573,0.103287959,0.646153846,0,0,0,0,0,1,5,1,0,0,0,0,0.102062073,0.102062073,0,0,0,0.102062073,0.102062073,0.288675135,0,0,0,0.288675135,0,0,0,0.40824829,0.433012702,0.40824829,0.40824829,0.433012702,0.40824829,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.5866,32.249,25.81164286,34.91599912,51.62328572,7.374755103,25.81164286,0.063309915,0.009044274,-1.931799329,26.80913824,3.829876892,2.302119966,45,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,1,0,5,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,2.360277778,0,7.437175926,0,0,0,1.03587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.360277778,0,1.486111111,0,0,0,1.03587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.360277778,0,1.490416667,0,0,0,1.03587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.83333333,1.547619048,0.2,2.360277778,0.2,1.03587963,5.044607639,0.297453704,0.360277778,0.720555556,0.297453704,0.360277778,0.720555556,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.14286,0.14286,0,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.62679,0.94668,6.62679,0,0,3.39384,0.48483,3.39384,0,0,0.02016,0.00288,0.10616,0.01517,0.285714286,7,0,0,0,0,0,0,1,0.918295834,1.301240785,2.262362377,2.629481708,2.41566147,2.297079328,19.28421252,27.3260565,47.50960993,55.21911587,50.72889087,48.23866588,0.209068641,0.296253813,0.515072605,0.598654754,0.549974248,0.522976622,3.474021589,3.091076637,2.129955045,1.762835715,1.976655953,2.095238095,0.209068641,0.296253813,0.515072605,0.598654754,0.549974248,0.522976622,6.73287657,11.32821599,14.83801525,14.16113349,13.29390227,13.17439222,27.64912502,22.75804088,20.11514464,21.30613189,22.81194905,22.78031708,5.142857143,2.34375,1.5,0,0,0,2.23,0.9863,0,1.850535862,1,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,3.395,8,8,8,8,2,0,0,0,0,48,2.079441542,2.197224577,2.197224577,2.197224577,2.197224577,1.098612289,0,0,0,0,3.891820298,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,0,3,4,0.333333333,1,0.444444444,0.1875,0.111111111,0,0,0,0,0,0,0.142857143,0.055555556,0.0375,0.111111111,0,0,0,0,0,0,0.34702381,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,0,117.2718924,3.807354922,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,71.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.388905171,98.10955045,4.671883355,13.67682532,1.953832189,0,0,0,42,5,3.922,30,1.220523193,2.086009777,2.795112973,3.520164747,4.282982798,5.172514281,0,0,0,0,78.01718708,81.31531848,56.59167441,30.17524231,13.80076908,5.255605551,0,0,0,0,287.7972294,350.2878403,318.299832,258.2859895,204.3991055,160.781112,0,0,0,0,8.889594735,14.90063589,19.61743961,24.28142782,29.11513643,34.75135099,0,0,0,0,2.16080321,2.850202542,2.892515813,2.695811098,2.474164722,2.2997666,0,0,0,0,174.2909705,318.5132428,451.9308122,601.2064839,764.9113221,956.489196,0,0,0,0,2.257719183,3.318228363,4.028833779,4.510597636,4.884513348,5.172514281,0,0,0,0,0.447249296,0.599087964,0.619984824,0.591387275,0.555805592,0.529665462,0,0,0,0,314.1330854,114.3742458,8.142541554,80.35130448,-29.255498,-4.270193301,233.7817809,143.6297439,12.41273486,0.796313095,0.289933515,0.020640973,0.203686905,-0.074161358,-0.010824746,123.9205985,45.11885459,3.212105537,31.69733532,-11.54083728,-1.684524599,0.081388859,0.171156848,1.42058525,1.421020146,394.4843899,0,1,0,496.6404669,22.28543172,7.919188876,632.2589721,25.14476033,8.582852854,790.8053427,28.1212614,9.247475689,1.427238702,1.217989365,271.952974,197.3815574,114.0262834,1.377803365,2.385002527,1.731018074,3.422933651,3.651473827,5.904977379,0.617149036,3.905229045,4.796804889,7.969768476,9.568090312,15.54889678,6.287160949,7.273722887,3.307207976,4.049061661,0.001465238,0.405380218,4.20E-16,8.41E-53,3.25E-111,2.42E-191,3.47E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.328306635,4.623824884,0.556474761,3.180278409,0.887608374,1.147577891,0.793745194,0.096819953,0.106819862,1.03E-05,0.002855126,2.96E-18,5.92E-55,2.29E-113,1.70E-193,2.44E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.058432573,4.635384542,1.846003496,3.788619827,3.120744162,2.047871652,1.332886012,0.431635473,0.498351173,1.08E-04,0.029752614,3.09E-17,6.17E-54,2.38E-112,1.77E-192,2.54E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.686252354,4.777813479,7.436800468,8.930971495,14.38264108,5.919877179,6.599825449,2.997290473,3.661556605,0.001305501,0.361186476,3.75E-16,7.49E-53,2.89E-111,2.15E-191,3.09E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559641195,4.650371529,2.797640528,4.412749493,4.879246726,2.710078294,1.935644696,0.756636873,0.889802172,2.34E-04,0.064626654,6.70E-17,1.34E-53,5.17E-112,3.85E-192,5.53E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.716001246,4.876661026,10.03295697,12.20643893,20.17210776,7.706818676,10.08359911,4.583427298,5.649776527,0.002136912,0.59120895,6.13E-16,1.23E-52,4.73E-111,3.52E-191,5.06E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.601157949,4.481400369,4.760347268,6.279492012,8.680432559,4.333192323,3.937932429,1.739735242,2.084171635,6.12E-04,0.169252238,1.76E-16,3.51E-53,1.35E-111,1.01E-191,1.45E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.492100299,1.499463431,0.652442375,0.536627266,0.322881451,0.490173101,0.510450923,0.426935834,4.644006105,6.341078585,13.42314001,0.304940899,1.427559857,1.814781084,0.961300188,0.201585061,0.609464218,0.322836772,0.259632649,0.209085157,0.040822809,2.977666333,2.30416591,5.633507339,0.414196327,0.509540615,2.083545391,1.17518317,0.380753843,0.572483985,0.322898434,0.342319875,0.312954545,0.145579104,3.639482403,3.689320898,8.261097161,0.358725978,0.800853524,2.475309084,1.486152987,0.641290156,0.537788906,0.322883552,0.483568015,0.501394605,0.412490795,4.602752227,6.219134619,13.18099324,0.306683359,1.397453415,2.203455229,1.270454847,0.460570989,0.560037065,0.322902773,0.382937441,0.365972608,0.212949252,3.934481065,4.399372577,9.623171637,0.340055598,0.961859301,2.544675452,1.541131368,0.687354163,0.533121649,0.322874375,0.511147934,0.539327428,0.473754233,4.773160982,6.730075484,14.19881896,0.299682473,1.524229594,2.485740309,1.48801285,0.643571906,0.538350728,0.322267293,0.487582727,0.502657118,0.415300208,4.617325064,6.256209415,13.25398695,0.307526092,1.405540053 +UMLKV0066,L,ETHYLCYCLOHEXANE,CCC1CCCCC1,C8H16,Naphthene - major structure is saturated ring,Naphthenes,1678-91-7,2.814969429,PubChem,,0.8634,0,-0.8956,0.80209936,29.2515,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1670.734305,1449.939631,815.395899,344.245273,76.792464,6.096384,0,3885.475125,5223.921076,7533.504307,7736.008113,5561.508657,2962.341864,1071.022993,186.5024666,0,167.819552,174.20624,341.85978,482.900092,437.30526,308.741284,143.083584,40.310784,0,29.42500648,40.12790896,62.50794544,69.83196788,54.44248504,31.71690749,12.68152803,2.667677429,0,3973.037281,3464.315612,7399.084504,11271.42137,10553.38416,7818.039585,3724.295171,1109.505912,0,35.27777778,43.33333333,74.16666667,95.33333333,84.41666667,56,24.5,6,0,48.76541633,56.15943233,34.80696469,21.01361784,12.94279205,7.649894956,3.656784,1.016064,0,161.8947969,217.6633782,156.9480064,112.1160596,88.2779152,65.8298192,51.00109489,31.08374443,0,6.992481333,7.258593333,7.12207875,6.998552058,6.941353333,6.860917422,6.813504,6.718464,0,1.226041937,1.671996207,1.302248863,1.012057505,0.864166429,0.704820166,0.603882287,0.444612905,0,165.54322,144.3464838,154.1475938,163.3539329,167.5140344,173.734213,177.3473891,184.917652,0,1.469907407,1.805555556,1.545138889,1.381642512,1.33994709,1.244444444,1.166666667,1,0,0.032865025,-0.001666055,-0.011594894,-0.005843866,-0.007829465,0.003877311,0.002993426,0.003631031,0,645.6853813,6.61E-13,-201.7766817,-161.4213453,-201.7766817,80.71067267,80.71067267,80.71067267,0,1200.679538,0,-375.2123557,-300.1698846,-375.2123557,150.0849423,150.0849423,150.0849423,0,0.126485333,2.94E-15,-0.039526667,-0.031621333,-0.039526667,0.015810667,0.015810667,0.015810667,0,5.367596186,1.23E-14,-1.677373808,-1.341899046,-1.677373808,0.670949523,0.670949523,0.670949523,0,29.15686767,-1.14E-13,-9.111521147,-7.289216918,-9.111521147,3.644608459,3.644608459,3.644608459,0,1.828703704,-0.347222222,-0.601851852,0.052662037,-0.337384259,0.071180556,0.052662037,0.195601852,0,0.001369376,-6.94E-05,-2.42E-04,-8.47E-05,-1.24E-04,8.62E-05,1.43E-04,6.05E-04,0,26.90355756,2.75E-14,-4.203680868,-2.339439787,-3.202804471,1.793570504,3.843365365,13.45177878,0,50.0283141,0,-7.816924078,-4.350288182,-5.955751678,3.33522094,7.146902014,25.01415705,0,0.005270222,1.22E-16,-8.23E-04,-4.58E-04,-6.27E-04,3.51E-04,7.53E-04,0.002635111,0,0.223649841,5.11E-16,-0.034945288,-0.019447812,-0.026624981,0.014909989,0.031949977,0.111824921,0,1.214869486,-4.74E-15,-0.189823357,-0.105640825,-0.14462732,0.080991299,0.173552784,0.607434743,0,0.076195988,-0.014467593,-0.01253858,7.63E-04,-0.005355306,0.00158179,0.002507716,0.032600309,0,-0.050693872,-0.17640172,-0.061848398,-0.090754632,0.062920968,0.104094184,0.44193255,0,1.02E-15,-0.15625,-0.086956522,-0.119047619,0.066666667,0.142857143,0.5,0,0,-0.15625,-0.086956522,-0.119047619,0.066666667,0.142857143,0.5,0,2.32E-14,-0.15625,-0.086956522,-0.119047619,0.066666667,0.142857143,0.5,0,2.29E-15,-0.15625,-0.086956522,-0.119047619,0.066666667,0.142857143,0.5,0,-3.90E-15,-0.15625,-0.086956522,-0.119047619,0.066666667,0.142857143,0.5,0,-0.189873418,-0.164556962,0.010016511,-0.070283303,0.020759494,0.032911392,0.427848101,0,1.489122222,1.312816003,1.010163939,1.001251096,0.723011392,0.566900348,0.004224615,0,1.4375,1.34765625,1.0625,0.992559524,0.670833333,0.513392857,0,0,1.4375,1.34765625,1.0625,0.992559524,0.670833333,0.513392857,0,0,1.4375,1.34765625,1.0625,0.992559524,0.670833333,0.513392857,0,0,1.4375,1.34765625,1.0625,0.992559524,0.670833333,0.513392857,0,0,1.4375,1.34765625,1.0625,0.992559524,0.670833333,0.513392857,0,0,1.688607595,1.135443038,0.802531646,1.045328511,0.943291139,0.823508137,0,0,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,36.08995721,17.89017551,26.87195345,36.04308221,4.505385276,17.89017558,-0.09375,0.061027138,0.007628392,-2.237149297,50.07914531,6.259893164,3.130883728,0,11.9,12.10012615,-0.151273816,0.048868363,5.483683559,8.440005411,8,24,24,24,8,0,0,0,0,0,17.491312,3.638638944,3.100978895,2.750129472,2.552099332,1.716672328,1.456797487,1.243289836,0.880330962,2.002253948,1.648590297,1.372874417,1.256911807,0.816601941,0.666206401,0.560038642,0.34407524,3.663136432,3.138355093,2.792995694,2.602603315,1.804832855,1.556142907,1.35571534,1.01303218,1.948817412,1.57043837,1.285229005,1.161173652,0.682374106,0.522081792,0.407714027,0.181674237,3.770748098,3.302851471,2.981537655,2.821160048,2.16948975,1.9628467,1.806651079,1.526992008,1.792228366,1.335571047,1.018928274,0.863796018,0.237288442,0.037619229,0.111876679,0.382625301,3.681174793,3.165923945,2.824624264,2.639679926,1.868680449,1.62787375,1.436300009,1.106883605,1.914853167,1.520179056,1.228596505,1.098791895,0.592726987,0.425347018,0.304963532,0.071464617,3.823158968,3.38252605,3.072480534,2.924462786,2.331931225,2.141548494,2.000733801,1.741325713,1.743488171,1.261232024,0.933903671,0.766506013,0.080989445,0.135164289,0.30076327,0.593182778,3.68982186,3.277623729,2.872367319,2.74133094,2.021881544,1.76481714,1.589106111,1.273980694,1.885854115,1.399854449,1.143195518,0.960854844,0.406220799,0.250745698,0.11803023,0.123015505,0,0,0,0,0,1,6,1,0,0,0,0,0.102062073,0.072168784,0,0,0,0.102062073,0.072168784,0.204124145,0,0,0,0.204124145,0,0,0,0.49279928,0.594861352,0.49279928,0.49279928,0.594861352,0.49279928,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.9767,36.866,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,1,0,6,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,2.315462963,0,8.931064815,0,0,0,1.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.315462963,0,1.416666667,0,0,0,1.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.315462963,0,1.510416667,0,0,0,1.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.33333333,1.541666667,0.2,2.315462963,0.2,1.086805556,5.766945602,0.246527778,0.315462963,0.672592593,0.246527778,0.315462963,0.672592593,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.125,0.125,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.02289,1.00286,8.02289,0,0,3.93185,0.49148,3.93185,0,0,-0.01785,-0.00223,0.06815,0.00852,0.25,8,0,0,0,0,0,0,1,0.918295834,1.272055209,2.177694271,2.803508855,3.022055209,2.621653522,22.03910002,30.52932501,52.26466251,67.28421252,72.52932501,62.91968454,0.200284263,0.277440701,0.474964467,0.611457314,0.659123212,0.571793885,3.666666667,3.312907292,2.40726823,1.781453646,1.562907292,1.963308978,0.200284263,0.277440701,0.474964467,0.611457314,0.659123212,0.571793885,6.73287657,10.97798907,14.41423191,16.87697267,15.8354706,13.2084235,31.59900002,26.53208126,23.53333386,20.31328386,21.55213073,25.91927858,6.125,3.111111111,1.8,2,0,2,2.34,1.1272,0,2.00414513,0.5,0,7.732315986,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,3.894,9,10,10,10,4,2,0,0,0,61,2.197224577,2.302585093,2.397895273,2.397895273,2.397895273,1.609437912,1.098612289,0,0,0,4.127134385,1,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,2,0.25,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,0,134.567877,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,112.1252005,4.671883355,15.69266546,1.961583183,0,0,0,64,7,4.491,34,1.224166127,2.09537562,2.804834728,3.523444903,4.011401076,4.603236608,5.359741897,0,0,0,78.54273178,80.84874126,62.70646424,47.75628327,32.73388417,17.49019423,5.445840791,0,0,0,289.3400736,350.3255304,329.6663809,316.3518511,273.0975439,239.7266082,166.6008473,0,0,0,8.917064339,14.9674467,19.68213687,24.4661223,27.55517836,31.38782208,36.00923299,0,0,0,2.17096299,2.856190846,2.94495335,3.074689391,2.892108438,2.819447784,2.383010414,0,0,0,174.752874,319.8998773,454.1517758,589.6546239,694.3347566,814.4881079,991.1108871,0,0,0,2.26269873,3.307614664,3.947346105,4.726698278,5.046382926,5.425946435,5.359741897,0,0,0,0.449298446,0.600529567,0.629752844,0.666959671,0.636627062,0.630335141,0.54883757,0,0,0,333.4456336,138.8618521,8.651530001,82.80429929,-34.48345759,-4.414359259,250.6413343,173.3453097,13.06588926,0.80107072,0.333602101,0.02078446,0.19892928,-0.082843155,-0.010605069,138.7967226,57.80123662,3.601198782,34.46728402,-14.35373691,-1.837476745,0.071732167,0.155914138,1.261555649,1.235628924,416.2499329,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,939.6153436,30.65314574,9.79452472,1.415868361,1.241251818,355.1804338,291.6071816,145.3204218,1.218009899,2.444119206,2.006649706,3.71989429,3.779648656,6.126310731,0.620867781,5.243051683,6.014024931,8.513915367,13.18809304,17.55879253,12.43889378,9.700408074,7.298739803,6.162004989,0.651560198,1.479305349,8.62E-07,7.06E-34,1.12E-82,3.40E-153,2.00E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380612772,5.574192587,0.653170922,4.643853419,0.976697237,1.702879483,1.183325619,0.799535726,0.266661521,0.007844858,0.010418869,6.07E-09,4.97E-36,7.86E-85,2.40E-155,1.41E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.266797814,5.603583911,2.124525578,5.393484148,3.427454621,3.385652578,1.940256922,1.451372632,1.025859602,0.056185781,0.108572643,6.32E-08,5.18E-35,8.19E-84,2.50E-154,1.47E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.907756237,5.965735494,7.985567707,12.31322416,16.21322965,11.60168985,8.831745494,6.662145119,5.643964643,0.582770263,1.318034433,7.68E-07,6.29E-34,9.94E-83,3.03E-153,1.78E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.906711325,5.641690531,3.17411155,6.203349214,5.387147199,4.691860079,2.751319974,2.099197116,1.678907721,0.114031088,0.235834289,1.37E-07,1.13E-34,1.78E-83,5.42E-154,3.19E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.527214959,6.217075305,10.52364848,16.8267774,22.91597208,15.74300603,13.3109542,9.926809821,8.258486401,0.939619583,2.157427824,1.26E-06,1.03E-33,1.63E-82,4.96E-153,2.92E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.301511198,5.560300223,5.236860804,8.436831646,9.662088603,7.782191242,5.078698126,4.016452652,3.361698908,0.283109622,0.622410432,3.63E-07,2.97E-34,4.70E-83,1.43E-153,8.42E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.889365727,1.485315347,0.834371974,0.554681571,0.285141144,0.50704049,0.542585153,0.434089471,5.209053049,7.941730544,16.73159043,0.332022356,1.483715113,2.241579503,0.932625616,0.366139398,0.63315293,0.263427927,0.306404037,0.213186479,0.083386356,3.540344517,3.252756015,7.558534884,0.449729395,0.602976873,2.498542509,1.152109781,0.552449091,0.594452116,0.274109444,0.37996846,0.325837073,0.1902391,4.203101381,4.895394803,10.68877352,0.391678174,0.896044633,2.873297956,1.471630168,0.822812403,0.556006622,0.284772457,0.501454206,0.53259703,0.422162277,5.167740527,7.803492705,16.45043949,0.334009934,1.456213513,2.613220814,1.249955745,0.635342836,0.580906868,0.277859366,0.415352855,0.38376552,0.251715999,4.498519395,5.72085192,12.29466174,0.371360302,1.050834374,2.939678728,1.528160414,0.870552383,0.550667502,0.286258587,0.524733949,0.57445701,0.4724786,5.338391524,8.381788671,17.63096324,0.326001254,1.571669558,2.882852765,1.474154767,0.82555369,0.556260243,0.28444522,0.504634157,0.534419918,0.424939618,5.182561222,7.846714793,16.53769027,0.334390365,1.463993693 +UMLKV0067,L,"1,1-DIMETHYLCYCLOHEXANE",CC1(CCCCC1)C,C8H16,Naphthene - major structure is saturated ring,cyclohexanes,27195-67-1,2.800859607,PubChem,,0.8628,0,0.175,0.030625,32.0903,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1912.866323,1583.031919,701.528018,153.584928,12.192768,0,0,3885.475125,5223.921076,7983.759134,8739.842576,5812.235772,2142.045985,373.0049332,0,0,167.819552,174.20624,341.907212,487.690108,557.814728,286.167168,80.621568,0,0,29.42500648,40.12790896,64.52079401,77.85914474,60.77016164,25.36305606,5.335354858,0,0,3973.037281,3464.315612,7410.01833,10889.88012,13908.23009,7448.590342,2219.011824,0,0,36.8125,44.75,76.25,109.375,103.5,49,12,0,0,48.76541633,56.15943233,39.85138173,22.94249158,8.660839728,3.656784,1.016064,0,0,161.8947969,217.6633782,166.3283153,126.6643852,71.75599718,51.00109489,31.08374443,0,0,6.992481333,7.258593333,7.123066917,7.06797258,6.88660158,6.813504,6.718464,0,0,1.226041937,1.671996207,1.344183209,1.128393402,0.750248909,0.603882287,0.444612905,0,0,165.54322,144.3464838,154.3753819,157.8243496,171.7065444,177.3473891,184.917652,0,0,1.533854167,1.864583333,1.588541667,1.585144928,1.277777778,1.166666667,1,0,0,0.031757682,-0.00388786,0.005049717,-0.029313225,-0.002099041,0.006890853,0.007480714,0,0,645.6853813,5.47E-13,40.35533633,-645.6853813,-40.35533633,161.4213453,161.4213453,0,0,1200.679538,-5.68E-14,75.04247115,-1200.679538,-75.04247115,300.1698846,300.1698846,0,0,0.126485333,2.94E-15,0.007905333,-0.126485333,-0.007905333,0.031621333,0.031621333,0,0,5.367596186,1.14E-14,0.335474762,-5.367596186,-0.335474762,1.341899046,1.341899046,0,0,29.15686767,-1.15E-13,1.822304229,-29.15686767,-1.822304229,7.289216918,7.289216918,0,0,2.372395833,-1.0703125,1.380208333,-2.143554687,-0.082356771,0.259765625,0.470052083,0,0,0.001323237,-1.62E-04,1.05E-04,-4.25E-04,-2.59E-05,1.64E-04,6.23E-04,0,0,26.90355756,2.28E-14,0.840736174,-9.35775915,-0.498214029,3.843365365,13.45177878,0,0,50.0283141,-2.37E-15,1.563384816,-17.40115273,-0.926450261,7.146902014,25.01415705,0,0,0.005270222,1.22E-16,1.65E-04,-0.001833121,-9.76E-05,7.53E-04,0.002635111,0,0,0.223649841,4.74E-16,0.006989058,-0.077791249,-0.004141664,0.031949977,0.111824921,0,0,1.214869486,-4.81E-15,0.037964671,-0.4225633,-0.022497583,0.173552784,0.607434743,0,0,0.098849826,-0.044596354,0.02875434,-0.03106601,-0.00101675,0.006184896,0.039171007,0,0,-0.122422657,0.079503871,-0.321053168,-0.019583858,0.123989853,0.471112103,0,0,8.47E-16,0.03125,-0.347826087,-0.018518519,0.142857143,0.5,0,0,-4.73E-17,0.03125,-0.347826087,-0.018518519,0.142857143,0.5,0,0,2.32E-14,0.03125,-0.347826087,-0.018518519,0.142857143,0.5,0,0,2.12E-15,0.03125,-0.347826087,-0.018518519,0.142857143,0.5,0,0,-3.96E-15,0.03125,-0.347826087,-0.018518519,0.142857143,0.5,0,0,-0.45115258,0.290889133,-0.314274806,-0.010285807,0.062568606,0.396267838,0,0,1.56031225,1.017589676,1.43827378,0.82501031,0.561942253,0.003325082,0,0,1.4375,1.16796875,1.4375,0.798611111,0.513392857,0,0,0,1.4375,1.16796875,1.4375,0.798611111,0.513392857,0,0,0,1.4375,1.16796875,1.4375,0.798611111,0.513392857,0,0,0,1.4375,1.16796875,1.4375,0.798611111,0.513392857,0,0,0,1.4375,1.16796875,1.4375,0.798611111,0.513392857,0,0,0,1.969264544,0.580680571,1.567508233,0.81538399,0.634781245,0,0,0,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,35.86878211,17.67109353,25.80643342,35.77815711,4.472269638,17.67109361,-0.18125,0.047796088,0.005974511,-2.432649186,44.49953227,5.562441534,3.036382943,0,11.9,12.10012615,-0.150248744,0.049932191,6.468125,9.068753977,8,24,24,24,8,0,0,0,0,0,17.491312,3.673255551,3.052196949,2.750129472,2.333552793,2.145105355,1.456797487,1.210901199,0.441713938,2.013708642,1.589242385,1.372874417,1.249629723,1.037732619,0.666206401,0.546797064,0.083923071,3.69558268,3.08800298,2.792995694,2.405454588,2.212954426,1.556142907,1.325510656,0.551555594,1.962583172,1.511208006,1.285229005,1.134540686,0.923130647,0.522081792,0.393028903,0.270913902,3.794782305,3.247217301,2.981537655,2.704236987,2.499839866,1.9628467,1.784358262,0.964952343,1.814793638,1.27918801,1.018928274,0.76031856,0.554434314,0.037619229,0.132939592,0.943918427,3.712084697,3.114503178,2.824624264,2.457539916,2.262420155,1.62787375,1.407627065,0.628608479,1.930259744,1.461220842,1.228596505,1.058262671,0.847449473,0.425347018,0.289204533,0.399277246,3.843725716,3.325230945,3.072480534,2.838982085,2.631339642,2.141548494,1.981263671,1.207644823,1.769484866,1.206690516,0.933903671,0.631337262,0.429191875,0.135164289,0.324777273,1.129609302,3.709736497,3.186847507,2.843630456,2.701410456,2.365021292,1.7395605,1.540572959,0.686584958,1.919274411,1.365446615,1.170933049,0.819057515,0.709144434,0.275003005,0.122348732,0.62745098,0,0,0,0,0,2,5,0,1,0,0,0,0.088388348,0.176776695,0,0,0,0.088388348,0.176776695,1.207106781,0.25,0,0,1.207106781,0.25,0,0,1.207106781,1.457106781,1.207106781,1.207106781,1.457106781,1.207106781,6.035533906,3.707106781,3.724873734,2.207106781,1.508883476,1.030330086,0.353553391,0,0.754441738,0.463388348,0.338624885,0.220710678,0.150888348,0.103033009,0.088388348,0,6.035533906,3.707106781,3.724873734,2.207106781,1.508883476,1.030330086,0.353553391,0,0.754441738,0.463388348,0.338624885,0.220710678,0.150888348,0.103033009,0.088388348,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.9767,36.866,29.99704517,41.45422905,59.99409034,7.499261292,29.99704517,0.157950336,0.019743792,-1.476379698,43.07086986,5.383858732,3.010277516,52,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,4.762222222,0,7.308958333,0,0,0,0,0,0,0,0,0,0.678819444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.381111111,0,1.451388889,0,0,0,0,0,0,0,0,0,0.678819444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.381111111,0,1.475625,0,0,0,0,0,0,0,0,0,0.678819444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.75,1.59375,0.2,2.381111111,0,0.678819444,5.746508681,0.571180556,0.381111111,1.524444444,0.571180556,0.381111111,1.524444444,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0,0.125,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.72242,1.0903,8.72242,0,0,3.70711,0.46339,3.70711,0,0,0.20689,0.02586,0.29289,0.03661,0.25,8,0,0,0,0,0,0,1,0.918295834,1.351227481,2.18979819,2.625814584,2.621653522,2.217090775,22.03910002,32.42945954,52.55515656,63.01955001,62.91968454,53.21017859,0.200284263,0.294708513,0.477604384,0.572701431,0.571793885,0.483557014,3.666666667,3.23373502,2.395164311,1.959147917,1.963308978,2.367871726,0.200284263,0.294708513,0.477604384,0.572701431,0.571793885,0.483557014,6.73287657,11.92805633,14.99670114,15.78187335,13.2084235,12.80069503,31.59900002,25.11476817,23.32880898,22.06315834,25.91927858,26.4586136,6.125,2.082644628,1.8,0,0,0,2.34,1.1272,0.5,3.701071725,0,2,6.083643419,0,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.111,0.198,0.227,3.71,11,10,10,10,4,0,0,0,0,61,2.197224577,2.48490665,2.397895273,2.397895273,2.397895273,1.609437912,0,0,0,0,4.127134385,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,2.5,0.888888889,0.375,0.222222222,0,0,0,0,0,0,0.3125,0.080808081,0.053571429,0.111111111,0,0,0,0,0,0,0.55799062,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,0,134.567877,4,3.663561646,4.394449155,5.241747015,5.993961427,6.842683282,7.601402335,8.449556543,9.210440367,10.05813811,77.45593988,2.833213344,0,4.110873864,0,5.59471138,0,7.158513997,0,8.750999691,8.981304495,112.1252005,4.671883355,15.45878878,1.932348597,0,0,0,59,7,4.528,38,1.224166127,2.094237924,2.837703581,3.462235659,4.287288804,4.69929817,0,0,0,0,78.54273178,92.80959504,69.84087384,32.29304135,15.56996024,4.774787695,0,0,0,0,289.3400736,373.7598447,374.9085729,260.3705478,217.8438897,146.0717833,0,0,0,0,8.917064339,14.96986736,20.09971422,23.89163696,29.20758224,31.57206558,0,0,0,0,2.17096299,2.966341993,3.302402898,2.686663873,2.582520332,2.08936861,0,0,0,0,174.752874,319.6015529,444.6579025,590.6758662,760.6483066,868.9831837,0,0,0,0,2.325621618,3.430510401,4.571499896,4.519241808,4.999155808,4.69929817,0,0,0,0,0.449298446,0.62102891,0.703340051,0.588468819,0.578141591,0.481208133,0,0,0,0,321.8536803,131.4459954,8.222891172,81.8922884,-33.44505292,-4.382288063,239.9613919,164.8910484,12.60517924,0.797168778,0.325566088,0.020366497,0.202831222,-0.082836871,-0.010854073,129.9471259,53.07079076,3.319959162,33.06368131,-13.50330529,-1.769331139,0.066216686,0.146451469,0.684084356,1.160636704,403.7459687,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,966.5133885,31.08879844,9.887108304,1.3716744,1.3716744,303.3101519,266.3945771,159.8266801,1.138574798,1.897744179,1.666771636,3.626145416,3.651473827,5.904977379,0.617149036,4.463030152,6.231246365,6.837633902,10.88430292,22.36974835,11.7646149,11.76944373,6.257713045,6.330015961,0.094381613,0.405386603,4.20E-16,8.41E-53,3.25E-111,2.42E-191,3.47E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375119016,5.57572249,0.490820653,4.350945273,1.123392107,3.325383454,0.917545023,0.204858185,0.122884835,6.65E-04,0.002855171,2.96E-18,5.92E-55,2.29E-113,1.70E-193,2.44E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.209548647,5.619526722,1.614479357,5.024266163,4.100689585,4.838265802,1.899561946,0.872367458,0.665760378,0.006927076,0.029753083,3.09E-17,6.17E-54,2.38E-112,1.77E-192,2.54E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212771097,6.159275878,6.388287747,10.25075143,20.58810256,11.17377047,10.66887295,5.686219389,5.693845838,0.084092318,0.361192165,3.75E-16,7.49E-53,2.89E-111,2.15E-191,3.09E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.782358484,5.67632046,2.436864976,5.682529664,6.548185581,5.93908965,2.93981482,1.499244817,1.253437274,0.015046536,0.064627672,6.70E-17,1.34E-53,5.17E-112,3.85E-192,5.53E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389626864,6.533872369,8.570392928,13.49527606,29.51247367,14.03649524,16.33966306,8.601851619,8.976333924,0.137646712,0.591218261,6.13E-16,1.23E-52,4.73E-111,3.52E-191,5.06E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.965149212,5.241737519,3.874484604,7.734461384,11.47984904,8.55956034,5.772694665,3.079795162,2.863265266,0.037157544,0.15959857,1.66E-16,3.31E-53,1.28E-111,9.51E-192,1.36E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.479514822,1.414230778,1.107091766,0.495819928,0.282798794,0.516392398,0.476757773,0.448349385,5.000837366,7.817339868,16.70031206,0.243729892,1.441499556,1.832699571,0.877549636,0.548044161,0.562472241,0.269328,0.281717939,0.185185915,0.110759795,3.258293368,3.093621094,7.233325578,0.343708361,0.577663649,2.089455252,1.090578613,0.770341419,0.528925761,0.276069622,0.366358508,0.284969525,0.218187825,3.950375283,4.728427008,10.434191,0.293388641,0.869515858,2.463488409,1.400929584,1.093278893,0.49690178,0.282576692,0.50971709,0.467923087,0.437329334,4.957696886,7.676060418,16.40685277,0.24535267,1.414969511,2.203963347,1.185580374,0.869320957,0.517500206,0.278379442,0.407716922,0.336250167,0.277464407,4.258864678,5.55957708,12.08995628,0.276250309,1.021431496,2.529693049,1.455879247,1.150326394,0.492551197,0.283471177,0.537576151,0.504949315,0.483707885,5.13589869,8.267636618,17.64010415,0.238826796,1.526233351,2.470440157,1.402063718,1.09898729,0.496921361,0.28202076,0.512587991,0.46847145,0.441487345,4.971491164,7.719547048,16.49761644,0.245382042,1.422546787 +UMLKV0068,L,"CIS-1,2-DIMETHYLCYCLOHEXANE",CC1CCCCC1C,C8H16,Naphthene - major structure is saturated ring,Naphthenes,583-57-3,2.805383166,PubChem,,1.0733,0,0.202,0.040804,31.7974,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1637.551784,758.929586,162.729504,12.192768,0,0,3885.475125,5223.921076,7758.63172,8463.052758,6034.399303,2421.799685,373.0049332,0,0,167.819552,174.20624,341.883496,485.318816,499.74356,346.633344,80.621568,0,0,29.42500648,40.12790896,63.51436973,74.85198059,60.78223392,29.3645722,5.335354858,0,0,3973.037281,3464.315612,7404.551417,11086.11766,12053.2006,9112.84921,2219.011824,0,0,36.55555556,44.52777778,74.83333333,102.9166667,100.3333333,58,12,0,0,48.76541633,56.15943233,37.32917321,23.73263455,10.54068869,3.190774588,1.016064,0,0,161.8947969,217.6633782,161.6381608,122.6529385,83.81110144,47.48626834,31.08374443,0,0,6.992481333,7.258593333,7.122572833,7.033606029,6.940882778,6.796732235,6.718464,0,0,1.226041937,1.671996207,1.323216036,1.084811313,0.844197693,0.575775925,0.444612905,0,0,165.54322,144.3464838,154.2614879,160.6683719,167.4055639,178.6833178,184.917652,0,0,1.523148148,1.855324074,1.559027778,1.491545894,1.393518519,1.137254902,1,0,0,0.032203389,-0.00310484,-0.004656838,-0.008608007,-0.018786557,0.011712848,0.0073417,0,0,645.6853813,6.61E-13,-80.71067267,-282.4873543,-403.5533633,282.4873543,161.4213453,0,0,1200.679538,0,-150.0849423,-525.297298,-750.4247115,525.297298,300.1698846,0,0,0.126485333,2.94E-15,-0.015810667,-0.055337333,-0.079053333,0.055337333,0.031621333,0,0,5.367596186,1.23E-14,-0.670949523,-2.348323331,-3.354747616,2.348323331,1.341899046,0,0,29.15686767,-1.14E-13,-3.644608459,-12.75612961,-18.22304229,12.75612961,7.289216918,0,0,2.314814815,-0.861111111,-0.018518519,0.293981481,-1.592592593,0.56712963,0.453703704,0,0,0.001341808,-1.29E-04,-9.70E-05,-1.25E-04,-2.61E-04,2.30E-04,6.12E-04,0,0,26.90355756,2.75E-14,-1.681472347,-4.094019628,-5.604907824,5.538967732,13.45177878,0,0,50.0283141,0,-3.126769631,-7.613004319,-10.42256544,10.29994702,25.01415705,0,0,0.005270222,1.22E-16,-3.29E-04,-8.02E-04,-0.001097963,0.001085046,0.002635111,0,0,0.223649841,5.11E-16,-0.013978115,-0.034033671,-0.046593717,0.046045556,0.111824921,0,0,1.214869486,-4.74E-15,-0.075929343,-0.184871444,-0.25309781,0.250120188,0.607434743,0,0,0.096450617,-0.03587963,-3.86E-04,0.004260601,-0.022119342,0.011120189,0.037808642,0,0,-0.096413462,-0.072303542,-0.092974359,-0.194457342,0.171159879,0.455958218,0,0,1.02E-15,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,0,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,2.32E-14,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,2.29E-15,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,-3.90E-15,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,-0.372,-0.004,0.044173913,-0.229333333,0.115294118,0.392,0,0,1.53434748,1.171936794,1.124488657,1.134752217,0.462469473,0.00373952,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.8975,0.8625,0.944,1.341666667,0.535764706,0,0,0,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,36.07402827,17.779571,24.920579,35.98375049,4.497968812,17.77957107,-0.180555556,0.008520244,0.001065031,-3.812248206,54.49313446,6.811641808,3.198459776,0,11.89,12.11011416,-0.161991078,0.059143413,6.149298971,8.44548837,8,24,24,24,8,0,0,0,0,0,17.491312,3.662568552,2.973800316,2.902915108,2.396031084,1.985393484,1.294917089,1.278176966,0.792390288,2.011212266,1.54022329,1.504387675,1.214685823,0.944510801,0.575155562,0.537874807,0.286758099,3.685758973,3.012007932,2.943626107,2.45799801,2.0604522,1.398197764,1.3877502,0.927978128,1.959396753,1.458846327,1.418464269,1.108835618,0.824247442,0.424099041,0.391206314,0.121362333,3.788142724,3.181205256,3.123867309,2.720080337,2.373479569,1.830041584,1.818711967,1.453306025,1.808680643,1.215027091,1.15985455,0.770046168,0.432297313,0.089676213,0.104383501,0.454358695,3.702862323,3.040251952,2.973724661,2.503161463,2.114921857,1.472638375,1.466485782,1.023904459,1.926561094,1.406557435,1.363143968,1.039081412,0.744462569,0.322298474,0.292586285,0.00904167,3.838313253,3.263640204,3.211539392,2.840509364,2.514780484,2.02143336,2.002311217,1.672222781,1.762127238,1.138255146,1.078139684,0.655480765,0.297024546,0.275653238,0.282281325,0.669501345,3.697560489,3.111926141,3.078965348,2.635037069,2.24090125,1.596068139,1.585467024,1.175105639,1.916863436,1.31336699,1.253825865,0.870102584,0.587742437,0.156504632,0.140887544,0.170893966,0,0,0,0,0,2,4,2,0,0,0,0,0.083333333,0.166666667,0,0,0,0.083333333,0.166666667,0.471404521,0,0.166666667,0,0.471404521,0,0.166666667,0,1.138071187,1.040440115,1.138071187,1.138071187,1.040440115,1.138071187,5.983127663,3.804530453,3.239024819,2.540336414,1.501661279,1.024377395,0.333333333,0.083333333,0.747890958,0.475566307,0.323902482,0.230939674,0.150166128,0.102437739,0.083333333,0.083333333,5.983127663,3.804530453,3.239024819,2.540336414,1.501661279,1.024377395,0.333333333,0.083333333,0.747890958,0.475566307,0.323902482,0.230939674,0.150166128,0.102437739,0.083333333,0.083333333,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,31.15378298,42.72358734,62.30756596,7.788445745,31.15378298,3.33E-16,4.16E-17,-28.51055062,41.24325189,5.155406487,2.975590007,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.757592593,0,5.90212963,0,0,0,2.006944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.378796296,0,1.47337963,0,0,0,1.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.378796296,0,1.477685185,0,0,0,1.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.378796296,0.2,1.003472222,5.75305787,0.329861111,0.378796296,1.515185185,0.329861111,0.378796296,1.515185185,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.47399,1.05925,8.47399,0,0,3.80452,0.47556,3.80452,0,0,0.10948,0.01369,0.19548,0.02444,0.25,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.522055209,2.688721876,2.284159128,2.284159128,22.03910002,34.03910002,60.52932501,64.52932501,54.81981907,54.81981907,0.200284263,0.309336409,0.550071066,0.586421781,0.498184909,0.498184909,3.666666667,3.166666667,2.062907292,1.896240625,2.300803373,2.300803373,0.200284263,0.309336409,0.550071066,0.586421781,0.498184909,0.498184909,6.73287657,12.73287657,15.67730206,14.01324374,13.60551527,13.60551527,31.59900002,23.74937501,22.16391042,24.55388542,25.09322045,25.09322045,6.125,2.52,1.487603306,0,0,0,2.34,1.1272,0.333333333,2.746356192,2.828427125,0,3.965406457,4.298279727,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,11,10,10,4,1,0,0,0,62,2.197224577,2.397895273,2.48490665,2.397895273,2.397895273,1.609437912,0.693147181,0,0,0,4.143134726,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,1.5,1.111111111,0.375,0.222222222,0,0,0,0,0,0,0.1875,0.111111111,0.046875,0.111111111,0,0,0,0,0,0,0.456597222,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,0,134.567877,4,3.610917913,4.369447852,5.153291594,5.932245187,6.717804695,7.501634458,8.287276756,9.072341874,9.857914707,76.50287504,2.833213344,0,4.043051268,0,5.476463552,0,7.00033446,0,8.555836815,8.796490207,112.1252005,4.671883355,15.53340973,1.941676217,0,0,0,60,8,4.43,36,1.224166127,2.094734878,2.813258485,3.478295136,4.058328429,4.653242784,0,0,0,0,78.54273178,86.40971975,71.40249227,38.36442902,13.27344884,4.727992477,0,0,0,0,289.3400736,361.0360131,361.1053693,299.1500142,195.1604006,144.6402095,0,0,0,0,8.917064339,14.96667722,19.8350544,24.17091153,27.59504103,31.26264413,0,0,0,0,2.17096299,2.90569308,3.158377613,2.991387022,2.356243506,2.068891791,0,0,0,0,174.752874,319.833565,448.4042663,580.0735826,724.226083,860.46673,0,0,0,0,2.318653618,3.343180647,4.268691588,4.893029907,4.639201405,4.653242784,0,0,0,0,0.449298446,0.609701421,0.672642215,0.651088863,0.529090755,0.476492061,0,0,0,0,317.4513927,130.4624213,8.15413927,75.28807159,-30.94100181,-4.033898164,242.1633211,161.4034231,12.18803743,0.808300213,0.332185668,0.02076221,0.191699787,-0.078782513,-0.010271181,124.6756899,51.23774145,3.202452288,29.5685969,-12.15175248,-1.584271004,0.072690831,0.151075692,1.278415714,1.140270424,392.7394643,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,966.0575165,31.0814658,9.885553587,1.427238702,1.212074076,326.335643,224.3218368,175.4436021,1.454765384,1.860060094,1.278597989,3.622823825,3.779648656,5.904977379,0.562308541,5.121077983,6.009330933,10.72828859,10.22126099,16.12818003,11.38979182,12.02822871,8.943262443,5.188149986,0.350713892,0.405380356,4.20E-16,8.41E-53,3.25E-111,2.42E-191,3.47E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.379753701,5.574159459,0.80046825,4.392667528,0.901739768,2.372388959,0.945926777,0.274345839,0.114842554,0.002470107,0.002855127,2.96E-18,5.92E-55,2.29E-113,1.70E-193,2.44E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.257845635,5.603239223,2.601308757,4.903829959,3.186709509,3.988022061,1.986790789,1.199403691,0.581953811,0.025740415,0.029752625,3.09E-17,6.17E-54,2.38E-112,1.77E-192,2.54E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.799079867,5.96155318,10.04069084,9.624380346,14.90485289,10.75815142,10.91773323,8.113818138,4.676463795,0.312479763,0.361186599,3.75E-16,7.49E-53,2.89E-111,2.15E-191,3.09E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.887265995,5.640941991,3.904526282,5.456210726,4.999656519,5.16391398,3.063931669,2.085162435,1.071398274,0.055911622,0.064626676,6.70E-17,1.34E-53,5.17E-112,3.85E-192,5.53E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.349327782,6.210229773,13.36478739,12.70380958,20.98821755,13.81885341,16.63044818,12.35351757,7.311029795,0.51148325,0.591209151,6.13E-16,1.23E-52,4.73E-111,3.52E-191,5.06E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.229683526,5.311696162,6.495073182,6.808552652,8.462378519,8.079323976,6.213556559,4.427633726,2.445582444,0.139896954,0.161702968,1.68E-16,3.36E-53,1.29E-111,9.63E-192,1.38E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.323279384,1.833960952,0.791270871,0.469490577,0.370608629,0.491363593,0.555762583,0.463984781,4.948511208,7.550306856,15.8702679,0.260148809,1.511110957,1.680597231,1.237615103,0.329956144,0.517398418,0.381019369,0.258923928,0.257376036,0.081347785,3.248168479,3.042814606,6.977269599,0.347626679,0.59764775,1.935628075,1.47436982,0.513491525,0.493343518,0.375780246,0.342366011,0.362637805,0.196555342,3.92348942,4.604836635,9.993744402,0.303685647,0.901559158,2.307347823,1.819187927,0.779879762,0.47027159,0.370777388,0.484712876,0.54704283,0.450849731,4.906415513,7.415701024,15.5956613,0.261573466,1.482605437,2.049405783,1.579942331,0.595159645,0.485122978,0.37399442,0.383324215,0.415193531,0.263656435,4.224507759,5.397984485,11.54958522,0.288676097,1.062174182,2.373162602,1.880214149,0.82692484,0.46713026,0.370098923,0.512480101,0.583497544,0.506281598,5.080301591,7.97927679,16.74936159,0.255843775,1.602259242,2.314639418,1.823964767,0.78163811,0.470431999,0.37070629,0.487803541,0.549876275,0.452606143,4.920242295,7.456711499,15.67688978,0.261707433,1.490285958 +UMLKV0069,L,"TRANS-1,2-DIMETHYLCYCLOHEXANE",CC1CCCCC1C,C8H16,Naphthene - major structure is saturated ring,Naphthenes,583-57-3,2.805383166,PubChem,,0.8644,0,0.202,0.040804,31.7974,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1637.551784,758.929586,162.729504,12.192768,0,0,3885.475125,5223.921076,7758.63172,8463.052758,6034.399303,2421.799685,373.0049332,0,0,167.819552,174.20624,341.883496,485.318816,499.74356,346.633344,80.621568,0,0,29.42500648,40.12790896,63.51436973,74.85198059,60.78223392,29.3645722,5.335354858,0,0,3973.037281,3464.315612,7404.551417,11086.11766,12053.2006,9112.84921,2219.011824,0,0,36.55555556,44.52777778,74.83333333,102.9166667,100.3333333,58,12,0,0,48.76541633,56.15943233,37.32917321,23.73263455,10.54068869,3.190774588,1.016064,0,0,161.8947969,217.6633782,161.6381608,122.6529385,83.81110144,47.48626834,31.08374443,0,0,6.992481333,7.258593333,7.122572833,7.033606029,6.940882778,6.796732235,6.718464,0,0,1.226041937,1.671996207,1.323216036,1.084811313,0.844197693,0.575775925,0.444612905,0,0,165.54322,144.3464838,154.2614879,160.6683719,167.4055639,178.6833178,184.917652,0,0,1.523148148,1.855324074,1.559027778,1.491545894,1.393518519,1.137254902,1,0,0,0.032203389,-0.00310484,-0.004656838,-0.008608007,-0.018786557,0.011712848,0.0073417,0,0,645.6853813,6.61E-13,-80.71067267,-282.4873543,-403.5533633,282.4873543,161.4213453,0,0,1200.679538,0,-150.0849423,-525.297298,-750.4247115,525.297298,300.1698846,0,0,0.126485333,2.94E-15,-0.015810667,-0.055337333,-0.079053333,0.055337333,0.031621333,0,0,5.367596186,1.23E-14,-0.670949523,-2.348323331,-3.354747616,2.348323331,1.341899046,0,0,29.15686767,-1.14E-13,-3.644608459,-12.75612961,-18.22304229,12.75612961,7.289216918,0,0,2.314814815,-0.861111111,-0.018518519,0.293981481,-1.592592593,0.56712963,0.453703704,0,0,0.001341808,-1.29E-04,-9.70E-05,-1.25E-04,-2.61E-04,2.30E-04,6.12E-04,0,0,26.90355756,2.75E-14,-1.681472347,-4.094019628,-5.604907824,5.538967732,13.45177878,0,0,50.0283141,0,-3.126769631,-7.613004319,-10.42256544,10.29994702,25.01415705,0,0,0.005270222,1.22E-16,-3.29E-04,-8.02E-04,-0.001097963,0.001085046,0.002635111,0,0,0.223649841,5.11E-16,-0.013978115,-0.034033671,-0.046593717,0.046045556,0.111824921,0,0,1.214869486,-4.74E-15,-0.075929343,-0.184871444,-0.25309781,0.250120188,0.607434743,0,0,0.096450617,-0.03587963,-3.86E-04,0.004260601,-0.022119342,0.011120189,0.037808642,0,0,-0.096413462,-0.072303542,-0.092974359,-0.194457342,0.171159879,0.455958218,0,0,1.02E-15,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,0,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,2.32E-14,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,2.29E-15,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,-3.90E-15,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,-0.372,-0.004,0.044173913,-0.229333333,0.115294118,0.392,0,0,1.53434748,1.171936794,1.124488657,1.134752217,0.462469473,0.00373952,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.8975,0.8625,0.944,1.341666667,0.535764706,0,0,0,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,36.07402827,17.779571,24.920579,35.98375049,4.497968812,17.77957107,-0.180555556,0.008520244,0.001065031,-3.812248206,54.49313446,6.811641808,3.198459776,0,11.89,12.11011416,-0.161991078,0.059143413,6.149298971,8.44548837,8,24,24,24,8,0,0,0,0,0,17.491312,3.662568552,2.973800316,2.902915108,2.396031084,1.985393484,1.294917089,1.278176966,0.792390288,2.011212266,1.54022329,1.504387675,1.214685823,0.944510801,0.575155562,0.537874807,0.286758099,3.685758973,3.012007932,2.943626107,2.45799801,2.0604522,1.398197764,1.3877502,0.927978128,1.959396753,1.458846327,1.418464269,1.108835618,0.824247442,0.424099041,0.391206314,0.121362333,3.788142724,3.181205256,3.123867309,2.720080337,2.373479569,1.830041584,1.818711967,1.453306025,1.808680643,1.215027091,1.15985455,0.770046168,0.432297313,0.089676213,0.104383501,0.454358695,3.702862323,3.040251952,2.973724661,2.503161463,2.114921857,1.472638375,1.466485782,1.023904459,1.926561094,1.406557435,1.363143968,1.039081412,0.744462569,0.322298474,0.292586285,0.00904167,3.838313253,3.263640204,3.211539392,2.840509364,2.514780484,2.02143336,2.002311217,1.672222781,1.762127238,1.138255146,1.078139684,0.655480765,0.297024546,0.275653238,0.282281325,0.669501345,3.697560489,3.111926141,3.078965348,2.635037069,2.24090125,1.596068139,1.585467024,1.175105639,1.916863436,1.31336699,1.253825865,0.870102584,0.587742437,0.156504632,0.140887544,0.170893966,0,0,0,0,0,2,4,2,0,0,0,0,0.083333333,0.166666667,0,0,0,0.083333333,0.166666667,0.471404521,0,0.166666667,0,0.471404521,0,0.166666667,0,1.138071187,1.040440115,1.138071187,1.138071187,1.040440115,1.138071187,5.983127663,3.804530453,3.239024819,2.540336414,1.501661279,1.024377395,0.333333333,0.083333333,0.747890958,0.475566307,0.323902482,0.230939674,0.150166128,0.102437739,0.083333333,0.083333333,5.983127663,3.804530453,3.239024819,2.540336414,1.501661279,1.024377395,0.333333333,0.083333333,0.747890958,0.475566307,0.323902482,0.230939674,0.150166128,0.102437739,0.083333333,0.083333333,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,31.15378298,42.72358734,62.30756596,7.788445745,31.15378298,3.33E-16,4.16E-17,-28.51055062,41.24325189,5.155406487,2.975590007,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.757592593,0,5.90212963,0,0,0,2.006944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.378796296,0,1.47337963,0,0,0,1.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.378796296,0,1.477685185,0,0,0,1.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.378796296,0.2,1.003472222,5.75305787,0.329861111,0.378796296,1.515185185,0.329861111,0.378796296,1.515185185,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.47399,1.05925,8.47399,0,0,3.80452,0.47556,3.80452,0,0,0.10948,0.01369,0.19548,0.02444,0.25,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.522055209,2.688721876,2.284159128,2.284159128,22.03910002,34.03910002,60.52932501,64.52932501,54.81981907,54.81981907,0.200284263,0.309336409,0.550071066,0.586421781,0.498184909,0.498184909,3.666666667,3.166666667,2.062907292,1.896240625,2.300803373,2.300803373,0.200284263,0.309336409,0.550071066,0.586421781,0.498184909,0.498184909,6.73287657,12.73287657,15.67730206,14.01324374,13.60551527,13.60551527,31.59900002,23.74937501,22.16391042,24.55388542,25.09322045,25.09322045,6.125,2.52,1.487603306,0,0,0,2.34,1.1272,0.333333333,2.746356192,2.828427125,0,3.965406457,4.298279727,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,11,10,10,4,1,0,0,0,62,2.197224577,2.397895273,2.48490665,2.397895273,2.397895273,1.609437912,0.693147181,0,0,0,4.143134726,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,1.5,1.111111111,0.375,0.222222222,0,0,0,0,0,0,0.1875,0.111111111,0.046875,0.111111111,0,0,0,0,0,0,0.456597222,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,0,134.567877,4,3.610917913,4.369447852,5.153291594,5.932245187,6.717804695,7.501634458,8.287276756,9.072341874,9.857914707,76.50287504,2.833213344,0,4.043051268,0,5.476463552,0,7.00033446,0,8.555836815,8.796490207,112.1252005,4.671883355,15.53340973,1.941676217,0,0,0,60,8,4.43,36,1.224166127,2.094734878,2.813258485,3.478295136,4.058328429,4.653242784,0,0,0,0,78.54273178,86.40971975,71.40249227,38.36442902,13.27344884,4.727992477,0,0,0,0,289.3400736,361.0360131,361.1053693,299.1500142,195.1604006,144.6402095,0,0,0,0,8.917064339,14.96667722,19.8350544,24.17091153,27.59504103,31.26264413,0,0,0,0,2.17096299,2.90569308,3.158377613,2.991387022,2.356243506,2.068891791,0,0,0,0,174.752874,319.833565,448.4042663,580.0735826,724.226083,860.46673,0,0,0,0,2.318653618,3.343180647,4.268691588,4.893029907,4.639201405,4.653242784,0,0,0,0,0.449298446,0.609701421,0.672642215,0.651088863,0.529090755,0.476492061,0,0,0,0,317.4513927,130.4624213,8.15413927,75.28807159,-30.94100181,-4.033898164,242.1633211,161.4034231,12.18803743,0.808300213,0.332185668,0.02076221,0.191699787,-0.078782513,-0.010271181,124.6756899,51.23774145,3.202452288,29.5685969,-12.15175248,-1.584271004,0.072690831,0.151075692,1.278415714,1.140270424,392.7394643,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,966.0575165,31.0814658,9.885553587,1.427238702,1.212074076,326.335643,224.3218368,175.4436021,1.454765384,1.860060094,1.278597989,3.622823825,3.779648656,5.904977379,0.562308541,5.121077983,6.009330933,10.72828859,10.22126099,16.12818003,11.38979182,12.02822871,8.943262443,5.188149986,0.350713892,0.405380356,4.20E-16,8.41E-53,3.25E-111,2.42E-191,3.47E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.379753701,5.574159459,0.80046825,4.392667528,0.901739768,2.372388959,0.945926777,0.274345839,0.114842554,0.002470107,0.002855127,2.96E-18,5.92E-55,2.29E-113,1.70E-193,2.44E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.257845635,5.603239223,2.601308757,4.903829959,3.186709509,3.988022061,1.986790789,1.199403691,0.581953811,0.025740415,0.029752625,3.09E-17,6.17E-54,2.38E-112,1.77E-192,2.54E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.799079867,5.96155318,10.04069084,9.624380346,14.90485289,10.75815142,10.91773323,8.113818138,4.676463795,0.312479763,0.361186599,3.75E-16,7.49E-53,2.89E-111,2.15E-191,3.09E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.887265995,5.640941991,3.904526282,5.456210726,4.999656519,5.16391398,3.063931669,2.085162435,1.071398274,0.055911622,0.064626676,6.70E-17,1.34E-53,5.17E-112,3.85E-192,5.53E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.349327782,6.210229773,13.36478739,12.70380958,20.98821755,13.81885341,16.63044818,12.35351757,7.311029795,0.51148325,0.591209151,6.13E-16,1.23E-52,4.73E-111,3.52E-191,5.06E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.229683526,5.311696162,6.495073182,6.808552652,8.462378519,8.079323976,6.213556559,4.427633726,2.445582444,0.139896954,0.161702968,1.68E-16,3.36E-53,1.29E-111,9.63E-192,1.38E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.323279384,1.833960952,0.791270871,0.469490577,0.370608629,0.491363593,0.555762583,0.463984781,4.948511208,7.550306856,15.8702679,0.260148809,1.511110957,1.680597231,1.237615103,0.329956144,0.517398418,0.381019369,0.258923928,0.257376036,0.081347785,3.248168479,3.042814606,6.977269599,0.347626679,0.59764775,1.935628075,1.47436982,0.513491525,0.493343518,0.375780246,0.342366011,0.362637805,0.196555342,3.92348942,4.604836635,9.993744402,0.303685647,0.901559158,2.307347823,1.819187927,0.779879762,0.47027159,0.370777388,0.484712876,0.54704283,0.450849731,4.906415513,7.415701024,15.5956613,0.261573466,1.482605437,2.049405783,1.579942331,0.595159645,0.485122978,0.37399442,0.383324215,0.415193531,0.263656435,4.224507759,5.397984485,11.54958522,0.288676097,1.062174182,2.373162602,1.880214149,0.82692484,0.46713026,0.370098923,0.512480101,0.583497544,0.506281598,5.080301591,7.97927679,16.74936159,0.255843775,1.602259242,2.314639418,1.823964767,0.78163811,0.470431999,0.37070629,0.487803541,0.549876275,0.452606143,4.920242295,7.456711499,15.67688978,0.261707433,1.490285958 +UMLKV0070,L,"CIS-I,3-DIMETMYLCYCLOHEXANE",CC1CCCC(C1)C,C8H16,Naphthene - major structure is saturated ring,Naphthenes,591-21-9,2.805355856,UML,"cis 1,3-dimethylcyclohexane",0.89,0,0.5524,0.30514576,33.7512,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1516.485775,813.449451,220.131072,21.337344,0,0,3885.475125,5223.921076,7758.63172,8237.925345,5757.609485,2643.963217,652.758633,0,0,167.819552,174.20624,341.883496,485.2951,497.372268,288.562176,141.087744,0,0,29.42500648,40.12790896,63.51436973,73.84555631,57.77506978,29.37664449,9.336871002,0,0,3973.037281,3464.315612,7404.551417,11080.65075,12249.43814,7257.819716,3883.270693,0,0,36.55555556,44.5,75.19444444,102.5833333,94.33333333,55,21,0,0,48.76541633,56.15943233,37.32917321,21.97805471,11.29790904,5.241216,1.016064,0,0,161.8947969,217.6633782,161.6381608,119.3902224,79.96679841,62.95150517,31.08374443,0,0,6.992481333,7.258593333,7.122572833,7.033262319,6.907948167,6.870528,6.718464,0,0,1.226041937,1.671996207,1.323216036,1.070225454,0.802431525,0.699443916,0.444612905,0,0,165.54322,144.3464838,154.2614879,160.5891412,170.1310852,172.8052313,184.917652,0,0,1.523148148,1.854166667,1.566550926,1.486714976,1.310185185,1.30952381,1,0,0,0.032199942,-0.002797727,-0.003697588,-0.018142177,0.001119485,-0.004814924,0.012232959,0,0,645.6853813,6.32E-13,-80.71067267,-403.5533633,-40.35533633,-80.71067267,282.4873543,0,0,1200.679538,0,-150.0849423,-750.4247115,-75.04247115,-150.0849423,525.297298,0,0,0.126485333,2.94E-15,-0.015810667,-0.079053333,-0.007905333,-0.015810667,0.055337333,0,0,5.367596186,1.20E-14,-0.670949523,-3.354747616,-0.335474762,-0.670949523,2.348323331,0,0,29.15686767,-1.14E-13,-3.644608459,-18.22304229,-1.822304229,-3.644608459,12.75612961,0,0,2.314814815,-0.888888889,0.342592593,-1.233796296,0.768518519,-0.939814815,0.793981481,0,0,0.001341664,-1.17E-04,-7.70E-05,-2.63E-04,1.55E-05,-1.15E-04,5.83E-04,0,0,26.90355756,2.63E-14,-1.681472347,-5.848599469,-0.560490782,-1.921682683,13.45177878,0,0,50.0283141,0,-3.126769631,-10.87572046,-1.042256544,-3.573451007,25.01415705,0,0,0.005270222,1.22E-16,-3.29E-04,-0.0011457,-1.10E-04,-3.76E-04,0.002635111,0,0,0.223649841,5.02E-16,-0.013978115,-0.048619531,-0.004659372,-0.015974989,0.111824921,0,0,1.214869486,-4.74E-15,-0.075929343,-0.264102062,-0.025309781,-0.086776392,0.607434743,0,0,0.096450617,-0.037037037,0.007137346,-0.017881106,0.010673868,-0.022376543,0.037808642,0,0,-0.086886076,-0.057416064,-0.195973098,0.011588896,-0.085446892,0.434178552,0,0,9.79E-16,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,0,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,2.32E-14,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,2.24E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,-3.90E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,-0.384,0.074,-0.185391304,0.110666667,-0.232,0.392,0,0,1.52427482,1.164805064,1.242354694,0.820810083,0.919861694,0.002465251,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.909,0.78775,1.196,0.732166667,1.360285714,0,0,0,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,35.83226547,17.82585496,25.82505281,35.72762192,4.46595274,17.82585502,-0.180555556,0.003886333,4.86E-04,-4.440231442,56.95949686,7.119937107,3.233872347,0,11.89,12.11011416,-0.163184458,0.057757171,5.99173565,8.131494617,8,24,24,24,8,0,0,0,0,0,17.491312,3.657350533,3.042364541,2.853663763,2.228199052,2.17548746,1.377970367,1.099508061,0.848898167,2.009882053,1.585950347,1.461105401,1.122580275,1.066605404,0.622488404,0.413035098,0.330410394,3.680932934,3.078435564,2.895085076,2.297520321,2.243749091,1.481273271,1.209688389,0.983826043,1.957719315,1.506815679,1.37483188,1.009371871,0.952794097,0.47545632,0.259521562,0.166688749,3.784792767,3.239284907,3.077882533,2.587690342,2.531187307,1.901999654,1.656579633,1.505179962,1.805580128,1.271648566,1.11426999,0.642452217,0.585704835,0.021015099,0.262056834,0.403334114,3.698311237,3.105160529,2.925676806,2.347875851,2.293440723,1.555731248,1.289020676,1.079174122,1.924629286,1.45612622,1.31921624,0.934416605,0.877571657,0.376614638,0.156092313,0.055506268,3.83554735,3.318282267,3.166469981,2.719383743,2.662420938,2.08581738,1.850629028,1.722040714,1.758439799,1.19828528,1.031595087,0.516627122,0.460560939,0.199076829,0.450448455,0.616550127,3.693337584,3.202528088,2.992569805,2.501366942,2.414575883,1.676969391,1.403180493,1.232251244,1.913934192,1.349624362,1.230310518,0.753942722,0.722583699,0.2174035,7.08E-04,0.124359124,0,0,0,0,0,2,4,2,0,0,0,0,0.083333333,0.166666667,0,0,0,0.083333333,0.166666667,0.577350269,0,0,0,0.577350269,0,0,0,0.741581624,1.093412989,1.020220057,0.741581624,1.093412989,1.020220057,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,30.91733718,41.28122386,61.83467437,7.729334296,30.91733718,1.11E-16,1.39E-17,-29.38944046,4000010.293,500001.2866,12.16144599,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.741388889,0,5.899814815,0,0,0,2.025462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.472222222,0,0,0,1.012731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.476527778,0,0,0,1.012731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.370694444,0.2,1.012731481,5.7528125,0.320601852,0.370694444,1.482777778,0.320601852,0.370694444,1.482777778,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.42549,1.05319,8.42549,0,0,3.78768,0.47346,3.78768,0,0,0.12632,0.01579,0.21232,0.02654,0.25,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.605388542,3.105388542,3.105388542,3.105388542,22.03910002,34.03910002,62.52932501,74.52932501,74.52932501,74.52932501,0.200284263,0.309336409,0.568246423,0.677298569,0.677298569,0.677298569,3.666666667,3.166666667,1.979573959,1.479573959,1.479573959,1.479573959,0.200284263,0.309336409,0.568246423,0.677298569,0.677298569,0.677298569,6.73287657,12.73287657,16.67730206,17.18121457,17.18121457,17.18121457,31.59900002,23.74937501,20.87142917,19.56315834,19.56315834,19.56315834,6.125,2.52,1.8,0,0,0,2.34,1.1272,0.25,3.039342743,2.309401077,0,3.532775529,5.111544834,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,10,11,10,5,0,0,0,0,62,2.197224577,2.397895273,2.397895273,2.48490665,2.397895273,1.791759469,0,0,0,0,4.143134726,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,2,0.666666667,0.5,0.222222222,0,0,0,0,0,0,0.25,0.066666667,0.071428571,0.074074074,0,0,0,0,0,0,0.462169312,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,0,134.567877,4,3.610917913,4.343805422,5.141663557,5.888877958,6.690842277,7.44132039,8.24407127,8.995288991,9.798182591,76.15497037,2.833213344,0,4.043051268,0,5.451038454,0,6.947937069,0,8.479906607,8.727292029,112.1252005,4.671883355,15.53295821,1.941619777,0,0,0,61,7,4.43,36,1.224166127,2.094794846,2.815360989,3.489894013,4.439762854,5.234822833,0,0,0,0,78.54273178,86.43663066,67.8113012,45.08600372,24.51685715,5.318915027,0,0,0,0,289.3400736,361.1040737,354.6330967,300.4382172,288.8958816,162.7178951,0,0,0,0,8.917064339,14.96718785,19.8493851,24.17740647,30.5483984,35.16996875,0,0,0,0,2.17096299,2.906091803,3.130761575,2.946641408,3.180581352,2.327469786,0,0,0,0,174.752874,319.837531,448.5568451,588.4393715,763.6391302,968.0111471,0,0,0,0,2.316970341,3.363889538,4.261770818,4.721366424,5.924555878,5.234822833,0,0,0,0,0.449298446,0.609779712,0.667645828,0.640414087,0.702831927,0.536045858,0,0,0,0,321.0794086,132.0896224,8.183305806,78.87321786,-32.4478409,-4.160308244,242.2061907,164.5374633,12.34361405,0.802793599,0.33026317,0.020460688,0.197206401,-0.081129211,-0.010402003,128.4165528,52.82959141,3.27293465,31.54555064,-12.97759919,-1.663926209,0.072048215,0.151462109,1.219298384,1.257505672,399.9526264,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,944.3601888,30.73044401,9.810983759,1.450520005,1.450520005,381.2891891,275.4956943,155.7912984,1.384011427,2.447435723,1.768363812,3.772133311,3.780722771,6.119384403,0.618575276,4.463030408,6.04063106,10.54903683,10.27695489,18.11070208,7.982806813,8.977707478,8.889325298,6.051727121,1.418965368,2.063211621,5.11E-07,2.09E-34,1.66E-83,2.53E-154,7.43E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375119018,5.574379929,0.709898736,4.143463853,0.980576918,1.563715784,1.875205062,0.452500548,0.215868777,0.048916832,0.014531368,3.60E-09,1.48E-36,1.17E-85,1.78E-156,5.23E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.209548666,5.605536529,2.36556285,4.903279592,3.501264153,2.643424374,2.573215013,1.406741644,0.88926181,0.204144599,0.15142806,3.75E-08,1.54E-35,1.22E-84,1.85E-155,5.45E-248,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212771325,5.989441044,9.821913408,9.727356866,16.71675408,7.508268493,8.276948801,8.101173223,5.511268929,1.291073351,1.83828441,4.55E-07,1.87E-34,1.48E-83,2.25E-154,6.62E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.782358525,5.645931995,3.606852369,5.57100193,5.521412669,3.453069916,3.275590724,2.289802073,1.505279484,0.347648947,0.328921981,8.15E-08,3.34E-35,2.64E-84,4.03E-155,1.18E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389627238,6.255877998,13.3829241,12.50955793,23.66387409,9.832420878,11.87426607,12.11594233,8.260800307,1.94247179,3.009000246,7.45E-07,3.06E-34,2.42E-83,3.68E-154,1.08E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.967193635,5.314903157,6.001497642,7.323199855,9.59201458,5.152280359,5.42735884,4.72040677,3.229093153,0.767965652,0.822998542,2.04E-07,8.36E-35,6.61E-84,1.01E-154,2.96E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.058983373,1.717931863,0.67707967,0.560870229,0.314985968,0.522422968,0.507720656,0.420623378,5.453994906,8.489477195,17.5016104,0.341305344,1.450767002,2.233968092,1.169777309,0.222885384,0.615989943,0.322552082,0.279600997,0.235449416,0.046118985,3.626630785,3.371890284,7.580975225,0.423984915,0.561169398,2.561347011,1.387521326,0.403532162,0.588490653,0.318794497,0.366920236,0.331241845,0.150505751,4.3524005,5.147418981,10.93394196,0.382735979,0.848667832,3.038531807,1.704364152,0.66585856,0.561780313,0.315112129,0.515490141,0.499735204,0.406921799,5.408754519,8.33686256,17.19394188,0.34267047,1.422147145,2.707405743,1.484562455,0.483937736,0.579012021,0.317491942,0.409710374,0.379182186,0.216003492,4.675905934,6.047964516,12.66896764,0.368518031,1.004896052,3.123018961,1.760407985,0.712203533,0.55811744,0.314604045,0.544431012,0.533129594,0.464948749,5.595630479,8.975781441,18.48695561,0.337176161,1.542509355,3.054454474,1.707393034,0.667643312,0.562567389,0.314466511,0.52083036,0.501525612,0.40879914,5.42949082,8.394369934,17.30572364,0.343851083,1.431155113 +UMLKV0071,L,"TRANS-1,3-DIMETHYLCYCLOHEXANE",CC1CCCC(C1)C,C8H16,Naphthene - major structure is saturated ring,Naphthenes,591-21-9,2.805355856,PubChem,,0.6645,0,0.5524,0.30514576,33.7512,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1516.485775,813.449451,220.131072,21.337344,0,0,3885.475125,5223.921076,7758.63172,8237.925345,5757.609485,2643.963217,652.758633,0,0,167.819552,174.20624,341.883496,485.2951,497.372268,288.562176,141.087744,0,0,29.42500648,40.12790896,63.51436973,73.84555631,57.77506978,29.37664449,9.336871002,0,0,3973.037281,3464.315612,7404.551417,11080.65075,12249.43814,7257.819716,3883.270693,0,0,36.55555556,44.5,75.19444444,102.5833333,94.33333333,55,21,0,0,48.76541633,56.15943233,37.32917321,21.97805471,11.29790904,5.241216,1.016064,0,0,161.8947969,217.6633782,161.6381608,119.3902224,79.96679841,62.95150517,31.08374443,0,0,6.992481333,7.258593333,7.122572833,7.033262319,6.907948167,6.870528,6.718464,0,0,1.226041937,1.671996207,1.323216036,1.070225454,0.802431525,0.699443916,0.444612905,0,0,165.54322,144.3464838,154.2614879,160.5891412,170.1310852,172.8052313,184.917652,0,0,1.523148148,1.854166667,1.566550926,1.486714976,1.310185185,1.30952381,1,0,0,0.032199942,-0.002797727,-0.003697588,-0.018142177,0.001119485,-0.004814924,0.012232959,0,0,645.6853813,6.32E-13,-80.71067267,-403.5533633,-40.35533633,-80.71067267,282.4873543,0,0,1200.679538,0,-150.0849423,-750.4247115,-75.04247115,-150.0849423,525.297298,0,0,0.126485333,2.94E-15,-0.015810667,-0.079053333,-0.007905333,-0.015810667,0.055337333,0,0,5.367596186,1.20E-14,-0.670949523,-3.354747616,-0.335474762,-0.670949523,2.348323331,0,0,29.15686767,-1.14E-13,-3.644608459,-18.22304229,-1.822304229,-3.644608459,12.75612961,0,0,2.314814815,-0.888888889,0.342592593,-1.233796296,0.768518519,-0.939814815,0.793981481,0,0,0.001341664,-1.17E-04,-7.70E-05,-2.63E-04,1.55E-05,-1.15E-04,5.83E-04,0,0,26.90355756,2.63E-14,-1.681472347,-5.848599469,-0.560490782,-1.921682683,13.45177878,0,0,50.0283141,0,-3.126769631,-10.87572046,-1.042256544,-3.573451007,25.01415705,0,0,0.005270222,1.22E-16,-3.29E-04,-0.0011457,-1.10E-04,-3.76E-04,0.002635111,0,0,0.223649841,5.02E-16,-0.013978115,-0.048619531,-0.004659372,-0.015974989,0.111824921,0,0,1.214869486,-4.74E-15,-0.075929343,-0.264102062,-0.025309781,-0.086776392,0.607434743,0,0,0.096450617,-0.037037037,0.007137346,-0.017881106,0.010673868,-0.022376543,0.037808642,0,0,-0.086886076,-0.057416064,-0.195973098,0.011588896,-0.085446892,0.434178552,0,0,9.79E-16,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,0,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,2.32E-14,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,2.24E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,-3.90E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,-0.384,0.074,-0.185391304,0.110666667,-0.232,0.392,0,0,1.52427482,1.164805064,1.242354694,0.820810083,0.919861694,0.002465251,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.909,0.78775,1.196,0.732166667,1.360285714,0,0,0,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,35.83226547,17.82585496,25.82505281,35.72762192,4.46595274,17.82585502,-0.180555556,0.003886333,4.86E-04,-4.440231442,56.95949686,7.119937107,3.233872347,0,11.89,12.11011416,-0.163184458,0.057757171,5.99173565,8.131494617,8,24,24,24,8,0,0,0,0,0,17.491312,3.657350533,3.042364541,2.853663763,2.228199052,2.17548746,1.377970367,1.099508061,0.848898167,2.009882053,1.585950347,1.461105401,1.122580275,1.066605404,0.622488404,0.413035098,0.330410394,3.680932934,3.078435564,2.895085076,2.297520321,2.243749091,1.481273271,1.209688389,0.983826043,1.957719315,1.506815679,1.37483188,1.009371871,0.952794097,0.47545632,0.259521562,0.166688749,3.784792767,3.239284907,3.077882533,2.587690342,2.531187307,1.901999654,1.656579633,1.505179962,1.805580128,1.271648566,1.11426999,0.642452217,0.585704835,0.021015099,0.262056834,0.403334114,3.698311237,3.105160529,2.925676806,2.347875851,2.293440723,1.555731248,1.289020676,1.079174122,1.924629286,1.45612622,1.31921624,0.934416605,0.877571657,0.376614638,0.156092313,0.055506268,3.83554735,3.318282267,3.166469981,2.719383743,2.662420938,2.08581738,1.850629028,1.722040714,1.758439799,1.19828528,1.031595087,0.516627122,0.460560939,0.199076829,0.450448455,0.616550127,3.693337584,3.202528088,2.992569805,2.501366942,2.414575883,1.676969391,1.403180493,1.232251244,1.913934192,1.349624362,1.230310518,0.753942722,0.722583699,0.2174035,7.08E-04,0.124359124,0,0,0,0,0,2,4,2,0,0,0,0,0.083333333,0.166666667,0,0,0,0.083333333,0.166666667,0.577350269,0,0,0,0.577350269,0,0,0,0.741581624,1.093412989,1.020220057,0.741581624,1.093412989,1.020220057,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,30.91733718,41.28122386,61.83467437,7.729334296,30.91733718,1.11E-16,1.39E-17,-29.38944046,4000010.293,500001.2866,12.16144599,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.741388889,0,5.899814815,0,0,0,2.025462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.472222222,0,0,0,1.012731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.476527778,0,0,0,1.012731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.370694444,0.2,1.012731481,5.7528125,0.320601852,0.370694444,1.482777778,0.320601852,0.370694444,1.482777778,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.42549,1.05319,8.42549,0,0,3.78768,0.47346,3.78768,0,0,0.12632,0.01579,0.21232,0.02654,0.25,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.605388542,3.105388542,3.105388542,3.105388542,22.03910002,34.03910002,62.52932501,74.52932501,74.52932501,74.52932501,0.200284263,0.309336409,0.568246423,0.677298569,0.677298569,0.677298569,3.666666667,3.166666667,1.979573959,1.479573959,1.479573959,1.479573959,0.200284263,0.309336409,0.568246423,0.677298569,0.677298569,0.677298569,6.73287657,12.73287657,16.67730206,17.18121457,17.18121457,17.18121457,31.59900002,23.74937501,20.87142917,19.56315834,19.56315834,19.56315834,6.125,2.52,1.8,0,0,0,2.34,1.1272,0.25,3.039342743,2.309401077,0,3.532775529,5.111544834,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,10,11,10,5,0,0,0,0,62,2.197224577,2.397895273,2.397895273,2.48490665,2.397895273,1.791759469,0,0,0,0,4.143134726,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,2,0.666666667,0.5,0.222222222,0,0,0,0,0,0,0.25,0.066666667,0.071428571,0.074074074,0,0,0,0,0,0,0.462169312,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,0,134.567877,4,3.610917913,4.343805422,5.141663557,5.888877958,6.690842277,7.44132039,8.24407127,8.995288991,9.798182591,76.15497037,2.833213344,0,4.043051268,0,5.451038454,0,6.947937069,0,8.479906607,8.727292029,112.1252005,4.671883355,15.53295821,1.941619777,0,0,0,61,7,4.43,36,1.224166127,2.094794846,2.815360989,3.489894013,4.439762854,5.234822833,0,0,0,0,78.54273178,86.43663066,67.8113012,45.08600372,24.51685715,5.318915027,0,0,0,0,289.3400736,361.1040737,354.6330967,300.4382172,288.8958816,162.7178951,0,0,0,0,8.917064339,14.96718785,19.8493851,24.17740647,30.5483984,35.16996875,0,0,0,0,2.17096299,2.906091803,3.130761575,2.946641408,3.180581352,2.327469786,0,0,0,0,174.752874,319.837531,448.5568451,588.4393715,763.6391302,968.0111471,0,0,0,0,2.316970341,3.363889538,4.261770818,4.721366424,5.924555878,5.234822833,0,0,0,0,0.449298446,0.609779712,0.667645828,0.640414087,0.702831927,0.536045858,0,0,0,0,321.0794086,132.0896224,8.183305806,78.87321786,-32.4478409,-4.160308244,242.2061907,164.5374633,12.34361405,0.802793599,0.33026317,0.020460688,0.197206401,-0.081129211,-0.010402003,128.4165528,52.82959141,3.27293465,31.54555064,-12.97759919,-1.663926209,0.072048215,0.151462109,1.219298384,1.257505672,399.9526264,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,944.3601888,30.73044401,9.810983759,1.450520005,1.450520005,381.2891891,275.4956943,155.7912984,1.384011427,2.447435723,1.768363812,3.772133311,3.780722771,6.119384403,0.618575276,4.463030408,6.04063106,10.54903683,10.27695489,18.11070208,7.982806813,8.977707478,8.889325298,6.051727121,1.418965368,2.063211621,5.11E-07,2.09E-34,1.66E-83,2.53E-154,7.43E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375119018,5.574379929,0.709898736,4.143463853,0.980576918,1.563715784,1.875205062,0.452500548,0.215868777,0.048916832,0.014531368,3.60E-09,1.48E-36,1.17E-85,1.78E-156,5.23E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.209548666,5.605536529,2.36556285,4.903279592,3.501264153,2.643424374,2.573215013,1.406741644,0.88926181,0.204144599,0.15142806,3.75E-08,1.54E-35,1.22E-84,1.85E-155,5.45E-248,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212771325,5.989441044,9.821913408,9.727356866,16.71675408,7.508268493,8.276948801,8.101173223,5.511268929,1.291073351,1.83828441,4.55E-07,1.87E-34,1.48E-83,2.25E-154,6.62E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.782358525,5.645931995,3.606852369,5.57100193,5.521412669,3.453069916,3.275590724,2.289802073,1.505279484,0.347648947,0.328921981,8.15E-08,3.34E-35,2.64E-84,4.03E-155,1.18E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389627238,6.255877998,13.3829241,12.50955793,23.66387409,9.832420878,11.87426607,12.11594233,8.260800307,1.94247179,3.009000246,7.45E-07,3.06E-34,2.42E-83,3.68E-154,1.08E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.967193635,5.314903157,6.001497642,7.323199855,9.59201458,5.152280359,5.42735884,4.72040677,3.229093153,0.767965652,0.822998542,2.04E-07,8.36E-35,6.61E-84,1.01E-154,2.96E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.058983373,1.717931863,0.67707967,0.560870229,0.314985968,0.522422968,0.507720656,0.420623378,5.453994906,8.489477195,17.5016104,0.341305344,1.450767002,2.233968092,1.169777309,0.222885384,0.615989943,0.322552082,0.279600997,0.235449416,0.046118985,3.626630785,3.371890284,7.580975225,0.423984915,0.561169398,2.561347011,1.387521326,0.403532162,0.588490653,0.318794497,0.366920236,0.331241845,0.150505751,4.3524005,5.147418981,10.93394196,0.382735979,0.848667832,3.038531807,1.704364152,0.66585856,0.561780313,0.315112129,0.515490141,0.499735204,0.406921799,5.408754519,8.33686256,17.19394188,0.34267047,1.422147145,2.707405743,1.484562455,0.483937736,0.579012021,0.317491942,0.409710374,0.379182186,0.216003492,4.675905934,6.047964516,12.66896764,0.368518031,1.004896052,3.123018961,1.760407985,0.712203533,0.55811744,0.314604045,0.544431012,0.533129594,0.464948749,5.595630479,8.975781441,18.48695561,0.337176161,1.542509355,3.054454474,1.707393034,0.667643312,0.562567389,0.314466511,0.52083036,0.501525612,0.40879914,5.42949082,8.394369934,17.30572364,0.343851083,1.431155113 +UMLKV0072,L,"CIS-I,4-DIMETHYLCYCLOHEXANE",CC1CCC(CC1)C,C8H16,Naphthene - major structure is saturated ring,cyclohexanes,589-90-2,2.805348053,UML,"cis 1,4-dimethylcyclohexane",0.8797,0,1.2892,1.66203664,34.8778,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1516.485775,692.383442,274.650937,78.738912,9.144576,0,3885.475125,5223.921076,7758.63172,8237.925345,5532.482072,2367.173399,874.9221648,279.7536999,0,167.819552,174.20624,341.883496,485.2951,497.348552,286.190884,83.016576,60.466176,0,29.42500648,40.12790896,63.51436973,73.84555631,56.76864549,26.36948034,9.348943289,4.001516144,0,3973.037281,3464.315612,7404.551417,11080.65075,12243.97122,7454.057255,2028.241198,1664.258868,0,36.55555556,44.5,75.16666667,102.9444444,94,49,18,9,0,48.76541633,56.15943233,37.32917321,21.97805471,9.616436694,6.539308024,6.561576,1.016064,0,161.8947969,217.6633782,161.6381608,119.3902224,76.84002878,56.3612714,72.9101804,31.08374443,0,6.992481333,7.258593333,7.122572833,7.033262319,6.907618778,6.814068667,6.918048,6.718464,0,1.226041937,1.671996207,1.323216036,1.070225454,0.78845341,0.62784477,0.779078607,0.444612905,0,165.54322,144.3464838,154.2614879,160.5891412,170.0551559,177.4775537,169.0200999,184.917652,0,1.523148148,1.854166667,1.565972222,1.49194847,1.305555556,1.166666667,1.5,1,0,0.032184881,-0.002794163,-0.003374751,-0.017556483,-0.008175392,0.015521998,-0.004542298,0.004828648,0,645.6853813,6.32E-13,-80.71067267,-403.5533633,-161.4213453,282.4873543,-80.71067267,121.066009,0,1200.679538,-5.68E-14,-150.0849423,-750.4247115,-300.1698846,525.297298,-150.0849423,225.1274134,0,0.126485333,2.94E-15,-0.015810667,-0.079053333,-0.031621333,0.055337333,-0.015810667,0.023716,0,5.367596186,1.20E-14,-0.670949523,-3.354747616,-1.341899046,2.348323331,-0.670949523,1.006424285,0,29.15686767,-1.15E-13,-3.644608459,-18.22304229,-7.289216918,12.75612961,-3.644608459,5.466912688,0,2.314814815,-0.888888889,0.314814815,-0.872685185,-0.759259259,1.421296296,-0.712962963,0.340277778,0,0.001341037,-1.16E-04,-7.03E-05,-2.54E-04,-1.14E-04,3.70E-04,-3.79E-04,5.37E-04,0,26.90355756,2.63E-14,-1.681472347,-5.848599469,-2.24196313,6.725889389,-6.725889389,13.45177878,0,50.0283141,-2.37E-15,-3.126769631,-10.87572046,-4.169026175,12.50707852,-12.50707852,25.01415705,0,0.005270222,1.22E-16,-3.29E-04,-0.0011457,-4.39E-04,0.001317556,-0.001317556,0.002635111,0,0.223649841,5.02E-16,-0.013978115,-0.048619531,-0.018637487,0.05591246,-0.05591246,0.111824921,0,1.214869486,-4.81E-15,-0.075929343,-0.264102062,-0.101239124,0.303717372,-0.303717372,0.607434743,0,0.096450617,-0.037037037,0.006558642,-0.012647611,-0.010545267,0.033840388,-0.05941358,0.037808642,0,-0.086816021,-0.052427578,-0.18973514,-0.084671142,0.275586333,-0.28226284,0.400075908,0,9.79E-16,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,-4.73E-17,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,2.32E-14,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,2.24E-15,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,-3.96E-15,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,-0.384,0.068,-0.131130435,-0.109333333,0.350857143,-0.616,0.392,0,1.523968426,1.160656604,1.242993329,0.924081426,0.372814716,1.312885028,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.909,0.7935,1.144,0.973666667,0.315428571,2.484,0,0,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,36.37046045,18.09495245,27.0767301,36.23504379,4.529380473,18.0949525,-0.180555556,4.44E-16,5.55E-17,-28.28040497,32.36841845,4.046052306,2.781746567,0,11.9,12.10012615,-0.149968906,0.050155463,5.91796875,7.969458799,8,24,24,24,8,0,0,0,0,0,17.491312,3.655766806,3.083686372,2.750129472,2.44126965,1.98485383,1.456797487,1.048635851,0.862362243,2.009462833,1.609084769,1.372874417,1.28028651,0.944510797,0.666206401,0.389383891,0.340307529,3.679464424,3.118291847,2.792995694,2.504797867,2.060065054,1.556142907,1.161811883,0.99706418,1.957193507,1.532051243,1.285229005,1.171855019,0.8242471,0.522081792,0.233630849,0.177034125,3.78376187,3.273013991,2.981537655,2.773435551,2.373411403,1.9628467,1.619577835,1.517277249,1.804623849,1.304234134,1.018928274,0.824648026,0.432252462,0.037619229,0.297324512,0.39146662,3.696923778,3.143950862,2.824624264,2.551095198,2.114622617,1.62787375,1.243233128,1.092231731,1.92402584,1.482803942,1.228596505,1.100379875,0.744460974,0.425347018,0.128567758,0.066155451,3.834691516,3.349275902,3.072480534,2.896868808,2.514757382,2.141548494,1.817637207,1.733584328,1.75730828,1.233507639,0.933903671,0.707223716,0.296913179,0.135164289,0.489848852,0.604157756,3.69204087,3.236430581,2.849225422,2.747143852,2.240598706,1.744477468,1.36150057,1.245632369,1.913033002,1.380144269,1.1655301,0.892837838,0.586754488,0.270278054,0.030577606,0.113581886,0,0,0,0,0,2,4,2,0,0,0,0,0.083333333,0.166666667,0,0,0,0.083333333,0.166666667,0.577350269,0,0,0,0.577350269,0,0,0,0.816496581,0.760079655,1.138071187,0.816496581,0.760079655,1.138071187,5.983127663,3.7876937,3.365043969,2.304530453,1.426746322,1.304737854,0.333333333,0,0.747890958,0.473461713,0.336504397,0.230453045,0.142674632,0.108728155,0.083333333,0,5.983127663,3.7876937,3.365043969,2.304530453,1.426746322,1.304737854,0.333333333,0,0.747890958,0.473461713,0.336504397,0.230453045,0.142674632,0.108728155,0.083333333,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,30.70152702,40.30404889,61.40305404,7.675381755,30.70152702,0.094421893,0.011802737,-1.887985849,23.37145629,2.921432036,2.521212369,58,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.733888889,0,5.893518519,0,0,0,2.039259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.366944444,0,1.47337963,0,0,0,1.01962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.366944444,0,1.47337963,0,0,0,1.01962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.366944444,0.2,1.01962963,5.752401111,0.313703704,0.366944444,1.467777778,0.313703704,0.366944444,1.467777778,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.39431,1.04929,8.39431,0,0,3.78768,0.47346,3.78768,0,0,0.12632,0.01579,0.21232,0.02654,0.25,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.355388542,2.188721876,2.084962501,2.355388542,22.03910002,34.03910002,56.52932501,52.52932501,50.03910002,56.52932501,0.200284263,0.309336409,0.51372035,0.477369635,0.45473927,0.51372035,3.666666667,3.166666667,2.229573959,2.396240625,2.5,2.229573959,0.200284263,0.309336409,0.51372035,0.477369635,0.45473927,0.51372035,6.73287657,12.73287657,13.67730206,11.67730206,13.40475992,13.67730206,31.59900002,23.74937501,25.33383542,28.50376042,25.96290834,25.33383542,6.125,2.52,1.8,0,0,0,2.34,1.1272,0.2,3.265986324,2,0,3.301927249,5.656854249,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,10,10,12,4,0,0,0,0,62,2.197224577,2.397895273,2.397895273,2.397895273,2.564949357,1.609437912,0,0,0,0,4.143134726,1,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,5,0.666666667,2,0.888888889,0.25,0.302222222,0,0,0,0,0,0,0.25,0.088888889,0.035714286,0.151111111,0,0,0,0,0,0,0.525714286,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,0,134.567877,4,3.610917913,4.343805422,5.129898715,5.888877958,6.670766321,7.438971592,8.217438538,8.989319566,9.765890765,76.05588679,2.833213344,0,4.043051268,0,5.451038454,0,6.940222469,0,8.463159303,8.712924435,112.1252005,4.671883355,15.53282921,1.941603651,0,0,0,62,7,4.43,36,1.224166127,2.094798552,2.82656971,3.506154152,4.094152582,4.693536152,5.363830398,0,0,0,78.54273178,87.22116534,65.92326671,34.54950735,28.44780847,32.54373606,5.449994969,0,0,0,289.3400736,362.9374319,352.5785436,273.9466147,234.4065243,355.381183,166.7279333,0,0,0,8.917064339,14.96972448,19.93143019,24.2381409,27.90156847,32.53297395,36.03670143,0,0,0,2.17096299,2.916040913,3.130286752,2.798675984,2.589360106,3.761984613,2.384828214,0,0,0,174.752874,319.6818132,449.9652141,594.7476774,726.4189345,788.2944908,991.866923,0,0,0,2.314325495,3.369627379,4.298678651,4.616683582,4.80951116,7.197795718,5.363830398,0,0,0,0.449298446,0.611694975,0.668054201,0.61184664,0.574989934,0.825204218,0.549256233,0,0,0,322.5837079,132.7125234,8.265006903,103.4346146,-42.55350899,-5.576661616,219.1490932,175.2660324,13.84166852,0.757206183,0.311518346,0.01940059,0.242793817,-0.09988657,-0.013090192,137.4265701,56.53796658,3.521044376,44.06504102,-18.12857452,-2.375760027,0.072029729,0.151474141,1.000683555,1.257605575,426.0183225,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,953.5049109,30.87887483,9.842550341,1.426147299,1.244647151,334.3919452,284.8973579,145.3027614,1.173727786,2.301346113,1.960715372,3.668354502,3.898790099,6.288840458,0.613023604,4.463030152,5.745298896,9.55497363,13.96362463,18.00146,11.87690117,11.9841974,5.329056094,8.23265695,0.006095332,1.3124671,0.011608965,1.09E-22,1.96E-64,6.85E-128,4.61E-213,5.981E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375119016,5.572299922,0.568812495,5.08323662,2.082131923,1.369235279,1.049144739,0.286667208,0.231181307,4.38E-04,0.00929553,8.18E-05,7.65E-25,1.38E-66,4.82E-130,3.25E-215,4.2E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,1.209548647,5.583860927,1.965362255,6.223271142,4.529394214,2.926458704,2.249542795,0.816226742,1.0492052,0.001461295,0.09646053,8.52E-04,7.97E-24,1.44E-65,5.03E-129,3.38E-214,4.39E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212771097,5.726305431,8.849997401,13.18201518,16.74309413,11.0257506,10.94978734,4.843587516,7.454404654,0.005702571,1.169420167,0.010343378,9.67E-23,1.75E-64,6.10E-128,4.11E-213,5.329E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,1.782358484,5.598849587,3.054017212,7.205590433,6.447556392,4.169918882,3.379905373,1.328123897,1.852816927,0.002202986,0.209397898,0.001850728,1.73E-23,3.13E-65,1.09E-128,7.35E-214,9.535E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389626864,5.825163655,12.3410037,17.12775655,22.98285151,15.26435937,16.22855277,7.327244896,11.44164018,0.00760223,1.913941231,0.016930584,1.58E-22,2.86E-64,9.99E-128,6.72E-213,8.7227E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,2.967224414,5.111836721,5.150767528,9.761240052,10.2274532,7.121915049,6.467548924,2.848369428,4.142302887,0.004479022,0.523800916,0.004630723,4.33E-23,7.83E-65,2.73E-128,1.84E-213,2.386E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,2.860439142,1.404774445,0.918608677,0.551801161,0.270992016,0.46148101,0.498458458,0.475363433,5.183822264,7.936334017,16.81137563,0.327701741,1.4353029,2.115485183,0.86856724,0.428570359,0.619900094,0.254516041,0.254274819,0.189846748,0.104550325,3.412622782,3.116317546,7.316413131,0.429850141,0.548671892,2.4104981,1.081380827,0.624206799,0.585628741,0.262720677,0.328892773,0.294720739,0.221584426,4.116085725,4.786320995,10.52950563,0.378443111,0.845197939,2.841916266,1.391484983,0.906571107,0.552904971,0.270718379,0.455572044,0.489028588,0.46323125,5.139972355,7.79236306,16.51735618,0.329357456,1.407831881,2.542383791,1.1763066,0.710957722,0.573947123,0.265553057,0.365397038,0.348964935,0.286895314,4.429648113,5.634454483,12.19030899,0.360920685,1.001257286,2.918451816,1.446384515,0.95626829,0.548467287,0.271820349,0.480239001,0.528571186,0.514256639,5.321104621,8.395158088,17.75286578,0.322700931,1.523066825,2.857087733,1.392467197,0.909098066,0.553843752,0.269928448,0.460330435,0.489744147,0.465362539,5.158652995,7.841663113,16.61707271,0.330765629,1.415437121 +UMLKV0073,L,"TRANS-1,4-DIMETHYLCYCLOHEXANE",CC1CCC(CC1)C,C8H16,Naphthene - major structure is saturated ring,cyclohexanes,589-90-2,2.805348053,PubChem,,0.7491,0,1.2892,1.66203664,34.8778,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1516.485775,692.383442,274.650937,78.738912,9.144576,0,3885.475125,5223.921076,7758.63172,8237.925345,5532.482072,2367.173399,874.9221648,279.7536999,0,167.819552,174.20624,341.883496,485.2951,497.348552,286.190884,83.016576,60.466176,0,29.42500648,40.12790896,63.51436973,73.84555631,56.76864549,26.36948034,9.348943289,4.001516144,0,3973.037281,3464.315612,7404.551417,11080.65075,12243.97122,7454.057255,2028.241198,1664.258868,0,36.55555556,44.5,75.16666667,102.9444444,94,49,18,9,0,48.76541633,56.15943233,37.32917321,21.97805471,9.616436694,6.539308024,6.561576,1.016064,0,161.8947969,217.6633782,161.6381608,119.3902224,76.84002878,56.3612714,72.9101804,31.08374443,0,6.992481333,7.258593333,7.122572833,7.033262319,6.907618778,6.814068667,6.918048,6.718464,0,1.226041937,1.671996207,1.323216036,1.070225454,0.78845341,0.62784477,0.779078607,0.444612905,0,165.54322,144.3464838,154.2614879,160.5891412,170.0551559,177.4775537,169.0200999,184.917652,0,1.523148148,1.854166667,1.565972222,1.49194847,1.305555556,1.166666667,1.5,1,0,0.032184881,-0.002794163,-0.003374751,-0.017556483,-0.008175392,0.015521998,-0.004542298,0.004828648,0,645.6853813,6.32E-13,-80.71067267,-403.5533633,-161.4213453,282.4873543,-80.71067267,121.066009,0,1200.679538,-5.68E-14,-150.0849423,-750.4247115,-300.1698846,525.297298,-150.0849423,225.1274134,0,0.126485333,2.94E-15,-0.015810667,-0.079053333,-0.031621333,0.055337333,-0.015810667,0.023716,0,5.367596186,1.20E-14,-0.670949523,-3.354747616,-1.341899046,2.348323331,-0.670949523,1.006424285,0,29.15686767,-1.15E-13,-3.644608459,-18.22304229,-7.289216918,12.75612961,-3.644608459,5.466912688,0,2.314814815,-0.888888889,0.314814815,-0.872685185,-0.759259259,1.421296296,-0.712962963,0.340277778,0,0.001341037,-1.16E-04,-7.03E-05,-2.54E-04,-1.14E-04,3.70E-04,-3.79E-04,5.37E-04,0,26.90355756,2.63E-14,-1.681472347,-5.848599469,-2.24196313,6.725889389,-6.725889389,13.45177878,0,50.0283141,-2.37E-15,-3.126769631,-10.87572046,-4.169026175,12.50707852,-12.50707852,25.01415705,0,0.005270222,1.22E-16,-3.29E-04,-0.0011457,-4.39E-04,0.001317556,-0.001317556,0.002635111,0,0.223649841,5.02E-16,-0.013978115,-0.048619531,-0.018637487,0.05591246,-0.05591246,0.111824921,0,1.214869486,-4.81E-15,-0.075929343,-0.264102062,-0.101239124,0.303717372,-0.303717372,0.607434743,0,0.096450617,-0.037037037,0.006558642,-0.012647611,-0.010545267,0.033840388,-0.05941358,0.037808642,0,-0.086816021,-0.052427578,-0.18973514,-0.084671142,0.275586333,-0.28226284,0.400075908,0,9.79E-16,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,-4.73E-17,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,2.32E-14,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,2.24E-15,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,-3.96E-15,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,-0.384,0.068,-0.131130435,-0.109333333,0.350857143,-0.616,0.392,0,1.523968426,1.160656604,1.242993329,0.924081426,0.372814716,1.312885028,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.909,0.7935,1.144,0.973666667,0.315428571,2.484,0,0,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,36.37046045,18.09495245,27.0767301,36.23504379,4.529380473,18.0949525,-0.180555556,4.44E-16,5.55E-17,-28.28040497,32.36841845,4.046052306,2.781746567,0,11.9,12.10012615,-0.149968906,0.050155463,5.91796875,7.969458799,8,24,24,24,8,0,0,0,0,0,17.491312,3.655766806,3.083686372,2.750129472,2.44126965,1.98485383,1.456797487,1.048635851,0.862362243,2.009462833,1.609084769,1.372874417,1.28028651,0.944510797,0.666206401,0.389383891,0.340307529,3.679464424,3.118291847,2.792995694,2.504797867,2.060065054,1.556142907,1.161811883,0.99706418,1.957193507,1.532051243,1.285229005,1.171855019,0.8242471,0.522081792,0.233630849,0.177034125,3.78376187,3.273013991,2.981537655,2.773435551,2.373411403,1.9628467,1.619577835,1.517277249,1.804623849,1.304234134,1.018928274,0.824648026,0.432252462,0.037619229,0.297324512,0.39146662,3.696923778,3.143950862,2.824624264,2.551095198,2.114622617,1.62787375,1.243233128,1.092231731,1.92402584,1.482803942,1.228596505,1.100379875,0.744460974,0.425347018,0.128567758,0.066155451,3.834691516,3.349275902,3.072480534,2.896868808,2.514757382,2.141548494,1.817637207,1.733584328,1.75730828,1.233507639,0.933903671,0.707223716,0.296913179,0.135164289,0.489848852,0.604157756,3.69204087,3.236430581,2.849225422,2.747143852,2.240598706,1.744477468,1.36150057,1.245632369,1.913033002,1.380144269,1.1655301,0.892837838,0.586754488,0.270278054,0.030577606,0.113581886,0,0,0,0,0,2,4,2,0,0,0,0,0.083333333,0.166666667,0,0,0,0.083333333,0.166666667,0.577350269,0,0,0,0.577350269,0,0,0,0.816496581,0.760079655,1.138071187,0.816496581,0.760079655,1.138071187,5.983127663,3.7876937,3.365043969,2.304530453,1.426746322,1.304737854,0.333333333,0,0.747890958,0.473461713,0.336504397,0.230453045,0.142674632,0.108728155,0.083333333,0,5.983127663,3.7876937,3.365043969,2.304530453,1.426746322,1.304737854,0.333333333,0,0.747890958,0.473461713,0.336504397,0.230453045,0.142674632,0.108728155,0.083333333,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,30.70152702,40.30404889,61.40305404,7.675381755,30.70152702,0.094421893,0.011802737,-1.887985849,23.37145629,2.921432036,2.521212369,58,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.733888889,0,5.893518519,0,0,0,2.039259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.366944444,0,1.47337963,0,0,0,1.01962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.366944444,0,1.47337963,0,0,0,1.01962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.366944444,0.2,1.01962963,5.752401111,0.313703704,0.366944444,1.467777778,0.313703704,0.366944444,1.467777778,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.39431,1.04929,8.39431,0,0,3.78768,0.47346,3.78768,0,0,0.12632,0.01579,0.21232,0.02654,0.25,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.355388542,2.188721876,2.084962501,2.355388542,22.03910002,34.03910002,56.52932501,52.52932501,50.03910002,56.52932501,0.200284263,0.309336409,0.51372035,0.477369635,0.45473927,0.51372035,3.666666667,3.166666667,2.229573959,2.396240625,2.5,2.229573959,0.200284263,0.309336409,0.51372035,0.477369635,0.45473927,0.51372035,6.73287657,12.73287657,13.67730206,11.67730206,13.40475992,13.67730206,31.59900002,23.74937501,25.33383542,28.50376042,25.96290834,25.33383542,6.125,2.52,1.8,0,0,0,2.34,1.1272,0.2,3.265986324,2,0,3.301927249,5.656854249,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,10,10,12,4,0,0,0,0,62,2.197224577,2.397895273,2.397895273,2.397895273,2.564949357,1.609437912,0,0,0,0,4.143134726,1,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,5,0.666666667,2,0.888888889,0.25,0.302222222,0,0,0,0,0,0,0.25,0.088888889,0.035714286,0.151111111,0,0,0,0,0,0,0.525714286,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,0,134.567877,4,3.610917913,4.343805422,5.129898715,5.888877958,6.670766321,7.438971592,8.217438538,8.989319566,9.765890765,76.05588679,2.833213344,0,4.043051268,0,5.451038454,0,6.940222469,0,8.463159303,8.712924435,112.1252005,4.671883355,15.53282921,1.941603651,0,0,0,62,7,4.43,36,1.224166127,2.094798552,2.82656971,3.506154152,4.094152582,4.693536152,5.363830398,0,0,0,78.54273178,87.22116534,65.92326671,34.54950735,28.44780847,32.54373606,5.449994969,0,0,0,289.3400736,362.9374319,352.5785436,273.9466147,234.4065243,355.381183,166.7279333,0,0,0,8.917064339,14.96972448,19.93143019,24.2381409,27.90156847,32.53297395,36.03670143,0,0,0,2.17096299,2.916040913,3.130286752,2.798675984,2.589360106,3.761984613,2.384828214,0,0,0,174.752874,319.6818132,449.9652141,594.7476774,726.4189345,788.2944908,991.866923,0,0,0,2.314325495,3.369627379,4.298678651,4.616683582,4.80951116,7.197795718,5.363830398,0,0,0,0.449298446,0.611694975,0.668054201,0.61184664,0.574989934,0.825204218,0.549256233,0,0,0,322.5837079,132.7125234,8.265006903,103.4346146,-42.55350899,-5.576661616,219.1490932,175.2660324,13.84166852,0.757206183,0.311518346,0.01940059,0.242793817,-0.09988657,-0.013090192,137.4265701,56.53796658,3.521044376,44.06504102,-18.12857452,-2.375760027,0.072029729,0.151474141,1.000683555,1.257605575,426.0183225,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,953.5049109,30.87887483,9.842550341,1.426147299,1.244647151,334.3919452,284.8973579,145.3027614,1.173727786,2.301346113,1.960715372,3.668354502,3.898790099,6.288840458,0.613023604,4.463030152,5.745298896,9.55497363,13.96362463,18.00146,11.87690117,11.9841974,5.329056094,8.23265695,0.006095332,1.3124671,0.011608965,1.09E-22,1.96E-64,6.85E-128,4.61E-213,5.981E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375119016,5.572299922,0.568812495,5.08323662,2.082131923,1.369235279,1.049144739,0.286667208,0.231181307,4.38E-04,0.00929553,8.18E-05,7.65E-25,1.38E-66,4.82E-130,3.25E-215,4.2E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,1.209548647,5.583860927,1.965362255,6.223271142,4.529394214,2.926458704,2.249542795,0.816226742,1.0492052,0.001461295,0.09646053,8.52E-04,7.97E-24,1.44E-65,5.03E-129,3.38E-214,4.39E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212771097,5.726305431,8.849997401,13.18201518,16.74309413,11.0257506,10.94978734,4.843587516,7.454404654,0.005702571,1.169420167,0.010343378,9.67E-23,1.75E-64,6.10E-128,4.11E-213,5.329E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,1.782358484,5.598849587,3.054017212,7.205590433,6.447556392,4.169918882,3.379905373,1.328123897,1.852816927,0.002202986,0.209397898,0.001850728,1.73E-23,3.13E-65,1.09E-128,7.35E-214,9.535E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389626864,5.825163655,12.3410037,17.12775655,22.98285151,15.26435937,16.22855277,7.327244896,11.44164018,0.00760223,1.913941231,0.016930584,1.58E-22,2.86E-64,9.99E-128,6.72E-213,8.7227E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,2.967224414,5.111836721,5.150767528,9.761240052,10.2274532,7.121915049,6.467548924,2.848369428,4.142302887,0.004479022,0.523800916,0.004630723,4.33E-23,7.83E-65,2.73E-128,1.84E-213,2.386E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,2.860439142,1.404774445,0.918608677,0.551801161,0.270992016,0.46148101,0.498458458,0.475363433,5.183822264,7.936334017,16.81137563,0.327701741,1.4353029,2.115485183,0.86856724,0.428570359,0.619900094,0.254516041,0.254274819,0.189846748,0.104550325,3.412622782,3.116317546,7.316413131,0.429850141,0.548671892,2.4104981,1.081380827,0.624206799,0.585628741,0.262720677,0.328892773,0.294720739,0.221584426,4.116085725,4.786320995,10.52950563,0.378443111,0.845197939,2.841916266,1.391484983,0.906571107,0.552904971,0.270718379,0.455572044,0.489028588,0.46323125,5.139972355,7.79236306,16.51735618,0.329357456,1.407831881,2.542383791,1.1763066,0.710957722,0.573947123,0.265553057,0.365397038,0.348964935,0.286895314,4.429648113,5.634454483,12.19030899,0.360920685,1.001257286,2.918451816,1.446384515,0.95626829,0.548467287,0.271820349,0.480239001,0.528571186,0.514256639,5.321104621,8.395158088,17.75286578,0.322700931,1.523066825,2.857087733,1.392467197,0.909098066,0.553843752,0.269928448,0.460330435,0.489744147,0.465362539,5.158652995,7.841663113,16.61707271,0.330765629,1.415437121 +UMLKV0074,L,N-PROPYLCYCLOHEXANE,CCCC1CCCCC1,C9H18,Naphthene - major structure is saturated ring,cyclohexanes,1678-92-8,2.928554835,PubChem,,1.001,0,-0.64,0.4096,33.7033,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,1864.442842,1646.69636,1133.218637,728.614155,338.148889,76.792464,6.096384,4371.159516,5876.91121,8447.051418,8742.806458,6793.434416,4696.184854,2775.839397,1071.022993,186.5024666,188.796996,195.98202,384.589288,545.784992,500.213876,374.044908,268.4305,143.083584,40.310784,33.10313229,45.14389758,70.19563559,78.85349674,64.47043818,45.75844906,29.04923006,12.68152803,2.667677429,4469.666941,3897.355064,8323.286703,12750.37653,12037.80623,9111.691027,6708.533673,3724.295171,1109.505912,39.52777778,48.58333333,83.5,107.1666667,94.91666667,72.25,50,24.5,6,48.76541633,56.15943233,34.5267193,21.11149179,15.73914774,13.49285472,8.670484333,3.656784,1.016064,161.8947969,217.6633782,156.4268781,112.0872623,94.35325577,86.96638618,71.17536916,51.00109489,31.08374443,6.992481333,7.258593333,7.122023852,6.997243487,6.947414944,6.926757556,6.882833333,6.813504,6.718464,1.226041937,1.671996207,1.299919178,1.010942266,0.895422753,0.847378686,0.744852053,0.603882287,0.444612905,165.54322,144.3464838,154.134939,163.4663657,167.1917532,168.735019,172.0136839,177.3473891,184.917652,1.46399177,1.799382716,1.546296296,1.373931624,1.318287037,1.337962963,1.282051282,1.166666667,1,0.037069505,-0.00163772,-0.013958174,-0.007365088,-0.001077498,-3.91E-04,-6.90E-04,0.002954977,0.003629962,726.396054,7.32E-13,-242.132018,-161.4213453,-80.71067267,-40.35533633,-5.01E-13,80.71067267,80.71067267,1350.764481,-5.26E-13,-450.2548269,-300.1698846,-150.0849423,-75.04247115,7.11E-15,150.0849423,150.0849423,0.142296,2.04E-15,-0.047432,-0.031621333,-0.015810667,-0.007905333,-1.12E-15,0.015810667,0.015810667,6.038545709,1.65E-14,-2.01284857,-1.341899046,-0.670949523,-0.335474762,-9.33E-15,0.670949523,0.670949523,32.80147613,-2.00E-13,-10.93382538,-7.289216918,-3.644608459,-1.822304229,1.11E-13,3.644608459,3.644608459,1.995884774,-0.345679012,-0.602880658,-0.363625972,0.268175583,-0.062757202,-0.129858253,0.046410608,0.192272519,0.001372945,-6.07E-05,-2.58E-04,-9.44E-05,-1.50E-05,-7.24E-06,-1.77E-05,1.41E-04,6.05E-04,26.90355756,2.71E-14,-4.483926259,-2.069504427,-1.120981565,-0.747321043,-1.28E-14,3.843365365,13.45177878,50.0283141,-1.95E-14,-8.33805235,-3.848331854,-2.084513087,-1.389675392,1.82E-16,7.146902014,25.01415705,0.005270222,7.55E-17,-8.78E-04,-4.05E-04,-2.20E-04,-1.46E-04,-2.88E-17,7.53E-04,0.002635111,0.223649841,6.11E-16,-0.037274974,-0.017203834,-0.009318743,-0.006212496,-2.39E-16,0.031949977,0.111824921,1.214869486,-7.40E-15,-0.202478248,-0.093451499,-0.050619562,-0.033746375,2.85E-15,0.173552784,0.607434743,0.073921658,-0.012802926,-0.011164457,-0.004661871,0.003724661,-0.00116217,-0.003329699,0.002210029,0.03204542,-0.044179719,-0.18827031,-0.068774959,-0.010900115,-0.005272312,-0.012892493,0.102490081,0.440654094,1.01E-15,-0.166666667,-0.076923077,-0.041666667,-0.027777778,-4.77E-16,0.142857143,0.5,-3.89E-16,-0.166666667,-0.076923077,-0.041666667,-0.027777778,3.64E-18,0.142857143,0.5,1.43E-14,-0.166666667,-0.076923077,-0.041666667,-0.027777778,-5.47E-15,0.142857143,0.5,2.73E-15,-0.166666667,-0.076923077,-0.041666667,-0.027777778,-1.07E-15,0.142857143,0.5,-6.09E-15,-0.166666667,-0.076923077,-0.041666667,-0.027777778,2.34E-15,0.142857143,0.5,-0.173195876,-0.151030928,-0.063065028,0.050386598,-0.015721649,-0.045043616,0.029896907,0.433505155,1.490006862,1.335971829,1.014712935,0.899664261,0.922097328,0.844236315,0.569520263,0.004250454,1.444444444,1.364197531,1.055555556,0.93287037,0.882716049,0.777777778,0.515873016,0,1.444444444,1.364197531,1.055555556,0.93287037,0.882716049,0.777777778,0.515873016,0,1.444444444,1.364197531,1.055555556,0.93287037,0.882716049,0.777777778,0.515873016,0,1.444444444,1.364197531,1.055555556,0.93287037,0.882716049,0.777777778,0.515873016,0,1.444444444,1.364197531,1.055555556,0.93287037,0.882716049,0.777777778,0.515873016,0,1.675257732,1.145876289,0.888402062,0.751353093,1.08556701,1.127319588,0.852945508,0,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,47.01947686,23.35246984,35.77305197,46.9671792,5.218575466,23.35246984,-0.094135802,0.102001372,0.011333486,-2.054492115,60.42094305,6.713438117,3.691202206,0,11.9,12.1001487,-0.15127037,0.048894141,5.305339789,8.754380452,9,27,27,27,9,0,0,0,0,0,19.677726,3.647140482,3.219455432,2.750129472,2.750129472,2.139618252,1.456797487,1.456797487,1.217470913,2.00709515,1.732765063,1.372874417,1.372874417,1.042600721,0.666206401,0.666206401,0.554117655,3.671375225,3.254744234,2.792995694,2.792995694,2.208065273,1.556142907,1.556142907,1.333166878,1.954149085,1.659580172,1.285229005,1.285229005,0.92664415,0.522081792,0.522081792,0.40079495,3.777847985,3.409272454,2.981537655,2.981537655,2.498084193,1.9628467,1.9628467,1.793350348,1.799105768,1.439907919,1.018928274,1.018928274,0.553346211,0.037619229,0.037619229,0.124006526,3.689220616,3.280722665,2.824624264,2.824624264,2.258008815,1.62787375,1.62787375,1.415821611,1.920507121,1.612560919,1.228596505,1.228596505,0.850035057,0.425347018,0.425347018,0.297260455,3.829719829,3.483840753,3.072480534,3.072480534,2.631210132,2.141548494,2.141548494,1.990035365,1.750873166,1.37026739,0.933903671,0.933903671,0.426596575,0.135164289,0.135164289,0.315806421,3.695193978,3.381381152,2.909049071,2.875016701,2.395729905,1.775724201,1.76714593,1.576445279,1.8929542,1.502701124,1.140639906,1.111884327,0.677472207,0.248510677,0.241059616,0.105111035,0,0,0,0,0,1,7,1,0,0,0,0,0.102062073,0.072168784,0,0,0,0.102062073,0.072168784,0.204124145,0,0,0,0.204124145,0,0,0,0.433012702,0.65464793,0.637136847,0.433012702,0.65464793,0.637136847,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.3668,41.483,37.50463196,54.26687178,75.00926391,8.334362657,37.50463196,0.136437528,0.015159725,-1.792699594,35.3218919,3.924654656,3.208052645,81,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,1,0,7,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,2.300204082,0,10.43243481,0,0,0,1.100694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.300204082,0,1.393518519,0,0,0,1.100694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.300204082,0,1.521666667,0,0,0,1.100694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.83333333,1.537037037,0.2,2.300204082,0.2,1.100694444,6.489916879,0.232638889,0.300204082,0.706018519,0.232638889,0.300204082,0.706018519,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.11111,0.11111,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,9.45555,1.05062,9.45555,0,0,4.43185,0.49243,4.43185,0,0,-0.01785,-0.00198,0.06815,0.00757,0.222222222,9,0,0,0,0,0,0,1,0.918295834,1.247104744,2.252382635,3.105653242,3.259904985,2.875076854,24.79398752,33.67182808,60.81433114,83.85263755,88.01743458,77.62707506,0.193126721,0.262278496,0.473698407,0.653149678,0.68559035,0.604657177,3.836591668,3.507782759,2.502504867,1.64923426,1.494982518,1.879810648,0.193126721,0.262278496,0.473698407,0.653149678,0.68559035,0.604657177,6.73287657,10.67858349,15.82059603,17.80210667,16.63642306,15.43434845,35.54887502,30.33929922,23.96075827,21.47958936,22.91350502,25.1084403,7.111111111,3.92,2.380165289,3,0,3,2.45,1.2681,0,2.085481947,0.333333333,0,9.563073858,4.445544946,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,4.393,10,11,12,12,6,4,2,0,0,75,2.302585093,2.397895273,2.48490665,2.564949357,2.564949357,1.945910149,1.609437912,1.098612289,0,0,4.33073334,1,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.222222222,3,0.333333333,1,3,6,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.04,0,0,0,0,0.111111111,0.044444444,0.0234375,0.030222222,0.030092593,0.04,0,0,0,0,0.27930787,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,0,151.8638616,4.169925001,3.663561646,4.394449155,5.153291594,5.905361848,6.673297968,7.430707083,8.200562797,8.959440144,9.729669736,78.11034197,2.944438979,0,4.077537444,0,5.433722004,0,6.886531643,0,8.379997952,8.639410824,126.1408506,4.671883355,17.70058553,1.966731726,0,0,0,94,8,5.06,38,1.22699952,2.102660164,2.813249694,3.536616865,4.185726271,4.839380925,5.818571873,7.033430929,0,0,78.95148878,80.48584787,64.39716888,60.70102619,62.9354078,47.71045708,22.94728141,7.146415963,0,0,290.5400635,350.354845,332.9214789,348.6513742,384.5054268,368.9167075,309.3494916,218.6253695,0,0,8.938429587,15.01941066,19.73815481,24.60655538,29.04818235,33.39656385,39.70496709,47.25385249,0,0,2.17886504,2.860848416,2.961447741,3.259816517,3.678166202,3.778504474,3.61445623,3.127154156,0,0,175.1121323,320.9783708,455.8527342,588.6551804,702.2255793,825.6393825,1027.121011,1300.605533,0,0,2.261871093,3.321809198,3.941138566,4.732459675,5.708772528,6.371511819,6.901467372,7.033430929,0,0,0.45089223,0.601650815,0.632926132,0.703073914,0.796354051,0.826845369,0.807168253,0.720223327,0,0,362.4255168,170.0609301,9.36471338,84.31383456,-39.56258172,-4.515393867,278.1116822,209.6235118,13.88010725,0.811268396,0.38067148,0.020962365,0.188731604,-0.088558533,-0.010107446,161.9097403,75.97290959,4.183585981,37.66630776,-17.67416209,-2.017204127,0.063677283,0.138863406,1.119894183,1.310120061,446.7393514,0,1,0,620.8036052,24.91593075,8.530701456,795.1702547,28.19876335,9.264458536,1065.609694,32.64367771,10.21408312,1.491001818,1.442559414,546.8135834,492.8780426,159.6464513,1.10942979,3.425153387,3.087309731,4.178127543,4.301363014,7.285318514,0.693723243,5.020829967,7.856395922,8.518371581,14.92374289,18.49787271,9.022398136,12.29566,13.32567637,7.129792284,3.638205135,3.06210891,2.372835368,2.305700509,0.009974898,6.57E-23,8.36E-65,2.05E-128,9.70E-214,8.85E-321,0,0,0,0,0,0,0,0,0,0,0,0.421931389,6.528963271,0.638477052,5.643913548,1.008805835,1.546618387,1.774232507,1.959061803,0.452720353,0.225986165,0.592521029,0.142877237,0.016240519,7.03E-05,4.63E-25,5.88E-67,1.44E-130,6.83E-216,6.4E-323,0,0,0,0,0,0,0,0,0,0,0,1.360664627,6.6176658,2.087020611,6.46141896,3.561878299,2.795232573,2.822443568,3.777129059,1.257080305,0.781454234,0.957803412,0.498295397,0.169228667,7.32E-04,4.82E-24,6.13E-66,1.50E-129,7.12E-215,6.47E-322,0,0,0,0,0,0,0,0,0,0,0,4.739288689,7.710655744,7.979398902,13.97473562,17.06748771,8.466618364,11.2626015,12.45219363,6.523422178,3.379416761,2.861815014,2.201025789,2.054338526,0.008887455,5.85E-23,7.44E-65,1.83E-128,8.64E-214,7.885E-321,0,0,0,0,0,0,0,0,0,0,0,2.005075568,6.732672521,3.128881212,7.342306977,5.616397099,3.73471857,3.868453085,5.174259446,1.975100016,1.20464292,1.249774815,0.771900769,0.367584122,0.001590221,1.05E-23,1.33E-65,3.27E-129,1.55E-214,1.413E-321,0,0,0,0,0,0,0,0,0,0,0,6.063250599,8.46921352,10.57817714,18.86997618,24.20237601,11.19160597,16.56222764,16.76147161,9.599272976,4.653033769,3.859464926,3.049041618,3.362643317,0.014547452,9.58E-23,1.22E-64,2.99E-128,1.41E-213,1.2905E-320,0,0,0,0,0,0,0,0,0,0,0,3.345420989,6.875533994,5.118684202,9.69545247,10.04870925,5.674050906,6.713307382,8.425553634,3.986995032,2.092770559,2.165202268,1.514665477,0.975972031,0.00422221,2.78E-23,3.54E-65,8.68E-129,4.10E-214,3.745E-321,0,0,0,0,0,0,0,0,0,0,0,4.3022739,1.38364657,0.877642221,0.65547845,0.210807245,0.478784388,0.511651514,0.407214877,6.56356269,10.94303039,22.73104497,0.483217675,1.397650779,3.501241792,0.847000919,0.419961299,0.734289427,0.17763521,0.317579078,0.191438602,0.093133508,4.768204011,4.791648674,10.80527102,0.601434141,0.602151188,3.819255417,1.060153892,0.601852894,0.69678393,0.193414191,0.377621766,0.30011216,0.191426803,5.481262203,6.985685108,14.90384877,0.545175894,0.869160729,4.282430217,1.370362132,0.866322319,0.656903649,0.210206784,0.474391414,0.50185726,0.396777849,6.519114668,10.76562038,22.36873043,0.485355474,1.373026523,3.961064958,1.155158396,0.682878235,0.683048037,0.199196096,0.406075155,0.356406884,0.24648775,5.799101588,8.069415015,16.99313348,0.524572056,1.008969789,4.364402807,1.425236192,0.913078583,0.651139296,0.212635573,0.492669788,0.542927876,0.440760226,6.702717581,11.50670021,23.88904491,0.476708944,1.47635789,4.300435464,1.37262968,0.868564861,0.657395093,0.209829917,0.47833197,0.503496387,0.39883673,6.541630005,10.83033039,22.49901656,0.486092639,1.380665087 +UMLKV0075,L,N-BUTYLCYCLOHEXANE,CCCCC1CCCCC1,C10H20,Naphthene - major structure is saturated ring,Naphthenes,1678-93-9,3.030353269,PubChem,,1.2539,0,-0.928,0.861184,36.6149,30.93586,0,0,30,10,20,0,10,0,0,0,0,0,0,0,0,0,1462.96249,1684.78297,2058.151379,1843.453089,1329.975366,1046.436893,722.517771,338.148889,76.792464,4856.843906,6529.901345,9360.59853,9749.604803,7800.232761,5928.110612,4509.682387,2775.839397,1071.022993,209.77444,217.7578,427.318796,608.669892,563.098776,436.953524,333.734124,268.4305,143.083584,36.7812581,50.1598862,77.88332573,87.87502559,73.49196704,55.7864022,43.09077163,29.04923006,12.68152803,4966.296601,4330.394515,9247.488902,14229.33168,13516.76139,10596.11309,8002.185115,6708.533673,3724.295171,43.77777778,53.83333333,92.75,119.5,106.75,82.75,66.25,50,24.5,48.76541633,56.15943233,34.30252298,21.18911597,16.41944896,16.61010941,15.05245356,8.670484333,3.656784,161.8947969,217.6633782,156.0099755,112.064423,96.29916989,94.09699385,93.9517164,71.17536916,51.00109489,6.992481333,7.258593333,7.121979933,6.996205655,6.951836741,6.935770222,6.95279425,6.882833333,6.813504,1.226041937,1.671996207,1.298055429,1.010057765,0.907308235,0.885498448,0.897724409,0.744852053,0.603882287,165.54322,144.3464838,154.124815,163.5555366,166.8735974,168.1922713,166.7121899,172.0136839,177.3473891,1.459259259,1.794444444,1.545833333,1.373563218,1.317901235,1.313492063,1.380208333,1.282051282,1.166666667,0.041253682,-0.001625969,-0.016021924,-0.00763751,-0.002599076,0.006360746,-0.004958147,-7.29E-04,0.002953886,807.1067267,-5.90E-13,-282.4873543,-161.4213453,-80.71067267,80.71067267,-121.066009,4.58E-13,80.71067267,1500.849423,5.26E-13,-525.297298,-300.1698846,-150.0849423,150.0849423,-225.1274134,-3.20E-13,150.0849423,0.158106667,3.66E-15,-0.055337333,-0.031621333,-0.015810667,0.015810667,-0.023716,-1.85E-15,0.015810667,6.709495232,1.85E-14,-2.348323331,-1.341899046,-0.670949523,0.670949523,-1.006424285,-9.33E-15,0.670949523,36.44608459,-3.02E-13,-12.75612961,-7.289216918,-3.644608459,3.644608459,-5.466912688,1.60E-13,3.644608459,2.162962963,-0.344444444,-0.687037037,-0.28,-0.152962963,0.541111111,-0.255185185,-0.134074074,0.041481481,0.001375123,-5.42E-05,-2.67E-04,-8.78E-05,-3.21E-05,1.01E-04,-1.03E-04,-1.87E-05,1.41E-04,26.90355756,-1.97E-14,-4.708122572,-1.855417762,-0.996428058,1.281121788,-2.522208521,1.18E-14,3.843365365,50.0283141,1.75E-14,-8.754954967,-3.450228558,-1.852900522,2.382300671,-4.690154447,-8.20E-15,7.146902014,0.005270222,1.22E-16,-9.22E-04,-3.63E-04,-1.95E-04,2.51E-04,-4.94E-04,-4.74E-17,7.53E-04,0.223649841,6.16E-16,-0.039138722,-0.015424127,-0.008283327,0.010649992,-0.020967173,-2.39E-16,0.031949977,1.214869486,-1.01E-14,-0.21260216,-0.083784103,-0.044995166,0.057850928,-0.113894014,4.09E-15,0.173552784,0.072098765,-0.011481481,-0.011450617,-0.003218391,-0.001888432,0.008589065,-0.005316358,-0.003437797,0.001975309,-0.03941391,-0.194187802,-0.063839739,-0.023334179,0.073421973,-0.075116728,-0.013589465,0.102289949,-7.31E-16,-0.175,-0.068965517,-0.037037037,0.047619048,-0.09375,4.37E-16,0.142857143,3.50E-16,-0.175,-0.068965517,-0.037037037,0.047619048,-0.09375,-1.64E-16,0.142857143,2.32E-14,-0.175,-0.068965517,-0.037037037,0.047619048,-0.09375,-8.99E-15,0.142857143,2.76E-15,-0.175,-0.068965517,-0.037037037,0.047619048,-0.09375,-1.07E-15,0.142857143,-8.29E-15,-0.175,-0.068965517,-0.037037037,0.047619048,-0.09375,3.37E-15,0.142857143,-0.159246575,-0.158818493,-0.04463864,-0.026192288,0.119129159,-0.073737158,-0.04768177,0.02739726,1.490856034,1.351813003,1.014821861,0.915974618,0.816404663,1.046007634,0.846842902,0.570847537,1.45,1.3775,1.05,0.939814815,0.828571429,0.996875,0.780769231,0.517857143,1.45,1.3775,1.05,0.939814815,0.828571429,0.996875,0.780769231,0.517857143,1.45,1.3775,1.05,0.939814815,0.828571429,0.996875,0.780769231,0.517857143,1.45,1.3775,1.05,0.939814815,0.828571429,0.996875,0.780769231,0.517857143,1.45,1.3775,1.05,0.939814815,0.828571429,0.996875,0.780769231,0.517857143,1.663527397,1.173159247,0.883989726,0.83912037,0.72712818,1.256956336,1.160267387,0.877874266,55.12321989,27.56160995,42.5576848,55.12321989,5.512321989,27.56160995,3.20E-14,0.162869141,0.016286914,-1.814808216,52.10125507,5.210125507,3.953189038,55.12321989,27.56160995,42.5576848,55.12321989,5.512321989,27.56160995,3.20E-14,0.162869141,0.016286914,-1.814808216,52.10125507,5.210125507,3.953189038,55.12321989,27.56160995,42.5576848,55.12321989,5.512321989,27.56160995,3.20E-14,0.162869141,0.016286914,-1.814808216,52.10125507,5.210125507,3.953189038,55.12321989,27.56160995,42.5576848,55.12321989,5.512321989,27.56160995,3.20E-14,0.162869141,0.016286914,-1.814808216,52.10125507,5.210125507,3.953189038,55.12321989,27.56160995,42.5576848,55.12321989,5.512321989,27.56160995,3.20E-14,0.162869141,0.016286914,-1.814808216,52.10125507,5.210125507,3.953189038,55.12321989,27.56160995,42.5576848,55.12321989,5.512321989,27.56160995,3.20E-14,0.162869141,0.016286914,-1.814808216,52.10125507,5.210125507,3.953189038,59.54683721,29.61417586,46.02165617,59.49017054,5.949017054,29.61417586,-0.094444444,0.123827688,0.012382769,-2.088864295,52.94017589,5.294017589,3.969162519,0,11.9,12.10017173,-0.151270341,0.048916831,5.216167653,8.911568439,10,30,30,30,10,0,0,0,0,0,21.86414,3.651218667,3.305595329,2.888757465,2.750129472,2.422507131,1.813168671,1.456797487,1.334261163,2.009715587,1.790151187,1.473452691,1.372874417,1.186192899,0.85864057,0.666206401,0.600615592,3.675358959,3.33893243,2.928487805,2.792995694,2.477952898,1.895168016,1.556142907,1.439976054,1.956982951,1.720872734,1.390107586,1.285229005,1.084051511,0.728794522,0.522081792,0.451765523,3.781404037,3.484669513,3.104026005,2.981537655,2.716984589,2.237921793,1.9628467,1.869392923,1.802574865,1.513545339,1.139016594,1.018928274,0.763368856,0.302263541,0.037619229,0.052237044,3.693133959,3.363455455,2.957839821,2.824624264,2.518622345,1.954764314,1.62787375,1.516108685,1.923478018,1.676429725,1.336434052,1.228596505,1.017209141,0.64235934,0.425347018,0.351603611,3.833063294,3.554961205,3.189243744,3.072480534,2.829202084,2.39238001,2.141548494,2.056415205,1.754539027,1.44790393,1.059540215,0.933903671,0.657393523,0.154215059,0.135164289,0.233597641,3.698822018,3.44974751,3.043876092,2.877147817,2.629180786,2.096297644,1.7690192,1.666524911,1.895432209,1.579060307,1.224269936,1.138584417,0.869787917,0.464277569,0.246713034,0.164639049,0,0,0,0,0,1,8,1,0,0,0,0,0.102062073,0.072168784,0,0,0,0.102062073,0.072168784,0.204124145,0,0,0,0.204124145,0,0,0,0.433012702,0.612372436,0.679412342,0.433012702,0.612372436,0.679412342,7.234204519,4.931851653,3.64626437,2.690670698,1.968614081,1.513420006,0.637136847,0.348461713,0.723420452,0.493185165,0.331478579,0.224222558,0.151431852,0.108101429,0.079642106,0.058076952,7.234204519,4.931851653,3.64626437,2.690670698,1.968614081,1.513420006,0.637136847,0.348461713,0.723420452,0.493185165,0.331478579,0.224222558,0.151431852,0.108101429,0.079642106,0.058076952,15.41827804,28.87836854,27.25490196,27.6,17.98554491,230.2825509,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.7569,46.1,44.38801919,65.39551953,88.77603837,8.877603837,44.38801919,0.155799856,0.015579986,-1.859183073,41.5279113,4.15279113,3.726365763,107,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,1,0,8,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,2.294470663,0,11.93358489,0,0,0,1.105277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.294470663,0,1.385416667,0,0,0,1.105277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.294470663,0,1.527777778,0,0,0,1.105277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.33333333,1.533333333,0.2,2.294470663,0.2,1.105277778,7.2129423,0.228055556,0.294470663,0.759351852,0.228055556,0.294470663,0.759351852,5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.1,0.1,0,5,0.5,5,0.5,0,0,-5,-0.5,0,0,10.92787,1.09279,10.92787,0,0,4.93185,0.49318,4.93185,0,0,-0.01785,-0.00178,0.06815,0.00682,0.2,10,0,0,0,0,0,0,1,0.918295834,1.225605199,2.189898095,2.898068512,2.944531749,3.238920595,27.54887502,36.76815597,65.69694286,86.94205536,88.33595246,97.16761785,0.187144143,0.249772269,0.446290385,0.590612009,0.600080986,0.660075975,3.988594762,3.681285397,2.7169925,2.008822084,1.962358847,1.667970001,0.187144143,0.249772269,0.446290385,0.590612009,0.600080986,0.660075975,6.73287657,10.42058895,15.51270227,15.77019766,16.69286615,18.03555674,39.49875002,34.17045587,27.12459603,27.21399451,26.51576342,22.9446904,8.1,4.760330579,3.111111111,4,0,4,2.56,1.409,0,2.142414564,0.25,0,11.46750113,4.68730728,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,4.892,11,12,13,14,8,6,4,2,0,90,2.397895273,2.48490665,2.564949357,2.63905733,2.708050201,2.197224577,1.945910149,1.609437912,1.098612289,0,4.510859507,1,0.428571429,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.3,4,0.4,1,4,7,0.75,1,0.444444444,0.1875,0.151111111,0.090277778,0.060408163,0.027777778,0,0,0,0.1,0.04040404,0.020833333,0.025185185,0.018055556,0.020136054,0.027777778,0,0,0,0.252391947,27.56160995,42.5576848,55.12321989,5.512321989,27.56160995,0.162869141,0.016286914,-1.814808216,52.10125507,5.210125507,3.953189038,0,169.1598463,4.321928095,3.761200116,4.48863637,5.241747015,5.993961427,6.758094504,7.518064181,8.285765421,9.048409505,9.817439348,80.91331789,3.044522438,0,4.17438727,0,5.517452896,0,6.955592608,0,8.438366411,8.701346403,140.1565006,4.671883355,19.70454557,1.970454557,0,0,0,133,9,5.629,42,1.229266235,2.108487799,2.819923633,3.546497599,4.296175875,5.047498298,5.824276113,6.622563587,7.58844816,0,79.27849437,80.19553315,65.73807256,65.42453596,80.5174708,85.08603428,55.14751017,25.43724605,7.710348992,0,291.5000555,350.3782966,335.5031083,363.5947563,432.5901294,505.8608844,434.9909879,346.959424,235.8773832,0,8.955521785,15.06098183,19.78258284,24.71084367,29.87028315,35.18860143,40.16277171,45.16677013,50.98271578,0,2.185186681,2.864574472,2.9745295,3.357117484,3.983819686,4.741507815,4.48486061,4.072828214,3.37392198,0,175.3995389,321.8411656,457.2017701,587.6866596,717.2048699,834.3577264,996.0175105,1170.997046,1403.238016,0,2.261208984,3.329710618,3.95251138,4.767493613,5.772470583,7.130604081,7.59360492,7.815409199,7.58844816,0,0.452167257,0.602547813,0.635442878,0.722524451,0.857634826,1.022395828,0.982500222,0.910253674,0.777057092,0,393.0203095,205.1673582,10.16880303,84.87991029,-44.30963627,-4.545969632,308.1403993,249.4769945,14.71477266,0.822389891,0.429310031,0.021278088,0.177610109,-0.092717338,-0.009512382,187.8244923,98.04952561,4.859673203,40.56412779,-21.17558491,-2.172519887,0.057237135,0.124832175,1.006631119,1.177741068,477.9002198,0,1,0,682.8851744,26.13207176,8.806078679,876.625896,29.60786882,9.57057649,1188.847309,34.47966515,10.59356233,1.418197253,1.4010958,789.6624102,733.9111696,194.0586472,1.075964562,4.069194655,3.781903976,4.652106009,4.681932691,8.190537083,0.749392318,5.578631074,8.80491323,8.814704087,19.89662066,20.47298534,9.185370855,13.64938399,16.95804765,8.895927531,7.006867243,6.35217335,9.807935645,5.852504408,1.717652168,2.154574736,6.95E-05,3.50E-29,3.40E-75,6.39E-143,2.31E-232,0,0,0,0,0,0,0,0,0,0,0.468743771,7.477438473,0.660593984,6.657306147,1.022874031,1.54778163,1.92762426,1.922075751,1.621131474,0.790188922,1.114375269,0.600551363,0.192598207,0.134500382,0.015174846,4.90E-07,2.46E-31,2.40E-77,4.50E-145,1.63E-234,0,0,0,0,0,0,0,0,0,0,1.511780701,7.566143894,2.160230268,7.742623914,3.707244568,2.807208249,3.192256953,3.882967386,2.631333452,1.586493936,1.75176213,1.927093776,0.818452131,0.440542462,0.158133596,5.10E-06,2.57E-30,2.50E-76,4.69E-144,1.70E-233,0,0,0,0,0,0,0,0,0,0,5.265807432,8.659168457,8.257217561,18.51403986,18.82738582,8.611825821,12.53272719,15.64548674,8.282622801,6.459078184,5.878776934,9.048675189,5.318705862,1.614678755,1.9196873,6.20E-05,3.12E-29,3.03E-75,5.69E-143,2.06E-232,0,0,0,0,0,0,0,0,0,0,2.227792857,7.681154294,3.23861355,8.967813548,5.93176494,3.760713131,4.395322623,5.558126558,3.465765274,2.273472398,2.317506529,3.001885373,1.405286962,0.655711945,0.3434873,1.11E-05,5.58E-30,5.42E-76,1.02E-143,3.68E-233,0,0,0,0,0,0,0,0,0,0,6.736876218,9.417750131,10.94501848,25.66524828,27.08237903,11.42927922,18.23696311,22.2630354,11.35741002,9.224936225,8.278374467,12.84121424,8.041588812,2.105790225,3.142244762,1.01E-04,5.10E-29,4.96E-75,9.31E-143,3.37E-232,0,0,0,0,0,0,0,0,0,0,3.717476959,7.816492496,5.324887888,12.38572437,10.93782367,5.722080342,7.581291914,9.481691491,5.620900503,4.22933827,3.809641343,5.776602172,3.112653429,1.206726206,0.916407024,2.96E-05,1.49E-29,1.45E-75,2.72E-143,9.83E-233,0,0,0,0,0,0,0,0,0,0,5.578111037,1.442105188,0.958443945,0.699128791,0.180745283,0.506742913,0.54341102,0.42380272,7.97866017,14.77270659,30.46130346,0.548693186,1.473956654,4.759605794,0.892631759,0.493951992,0.774399448,0.14523336,0.370128505,0.209049389,0.112742443,6.146189545,7.040509291,15.28529106,0.661599173,0.691920336,5.084458507,1.110972191,0.678556699,0.739666545,0.16161976,0.421780148,0.323353925,0.212687798,6.873987397,9.852643012,20.55958821,0.609499817,0.957821872,5.557824827,1.428512139,0.946956394,0.700569685,0.180065463,0.503097441,0.533276614,0.41373176,7.93329336,14.55517669,30.00675481,0.550854527,1.450105815,5.229359897,1.208248407,0.760788551,0.726461739,0.167849652,0.445909168,0.382181622,0.267285656,7.198396856,11.21602446,23.22136166,0.589692608,1.095376445,5.641628511,1.484658264,0.994404763,0.69472267,0.182824117,0.51824257,0.575743554,0.456104114,8.120691538,15.4623039,31.91202074,0.542084006,1.550090239,5.577325783,1.431520273,0.949412688,0.700822374,0.179878579,0.506522255,0.535364113,0.41576168,7.958258744,14.6383423,30.17676409,0.551233561,1.457648048 +UMLKV0076,L,CYCLOHEPTANE,C1CCCCCC1,C7H14,Naphthene - major structure is saturated ring,Naphthenes,291-64-5,2.70073182,PubChem,,1.4796,0,-2.016,4.064256,20.3812,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1355.959759,1377.297103,367.448256,28.449792,0,0,0,3399.790734,4570.930941,6394.829782,7047.588415,4082.970102,870.3448441,0,0,0,146.842108,152.43046,299.106556,440.1943,387.410688,188.116992,0,0,0,25.74688067,35.11192034,53.81383101,63.15070202,43.62840202,12.44916134,0,0,0,3476.407621,3031.276161,6469.415393,10352.68609,9465.125593,5177.694257,0,0,0,29.75,36.75,64.75,85.75,70,28,0,0,0,48.76541633,56.15943233,32.28475617,21.86185878,6.561576,1.016064,0,0,0,161.8947969,217.6633782,152.2578519,111.8664828,72.9101804,31.08374443,0,0,0,6.992481333,7.258593333,7.121584667,6.987211111,6.918048,6.718464,0,0,0,1.226041937,1.671996207,1.281281691,1.002392095,0.779078607,0.444612905,0,0,0,165.54322,144.3464838,154.0336998,164.3283506,169.0200999,184.917652,0,0,0,1.416666667,1.75,1.541666667,1.361111111,1.25,1,0,0,0,0.029269484,2.17E-18,-0.014634742,2.17E-19,-0.019512989,0.019512989,0,0,0,564.9747087,5.90E-13,-282.4873543,-1.60E-13,-376.6498058,376.6498058,0,0,0,1050.594596,0,-525.297298,1.42E-13,-700.3963974,700.3963974,0,0,0,0.110674667,1.58E-15,-0.055337333,1.30E-17,-0.073783111,0.073783111,0,0,0,4.696646663,7.55E-15,-2.348323331,2.08E-15,-3.131097775,3.131097775,0,0,0,25.51225921,2.26E-14,-12.75612961,6.44E-15,-17.00817281,17.00817281,0,0,0,1.166666667,-4.02E-16,-0.583333333,-3.75E-16,-0.777777778,0.777777778,0,0,0,0.001393785,1.03E-19,-3.48E-04,3.44E-21,-3.48E-04,6.97E-04,0,0,0,26.90355756,2.81E-14,-6.725889389,-2.54E-15,-6.725889389,13.45177878,0,0,0,50.0283141,0,-12.50707852,2.26E-15,-12.50707852,25.01415705,0,0,0,0.005270222,7.53E-17,-0.001317556,2.07E-19,-0.001317556,0.002635111,0,0,0,0.223649841,3.60E-16,-0.05591246,3.30E-17,-0.05591246,0.111824921,0,0,0,1.214869486,1.08E-15,-0.303717372,1.02E-16,-0.303717372,0.607434743,0,0,0,0.055555556,-1.92E-17,-0.013888889,-5.95E-18,-0.013888889,0.027777778,0,0,0,7.41E-17,-0.25,2.47E-18,-0.25,0.5,0,0,0,1.04E-15,-0.25,-9.43E-17,-0.25,0.5,0,0,0,0,-0.25,4.51E-17,-0.25,0.5,0,0,0,1.43E-14,-0.25,3.92E-17,-0.25,0.5,0,0,0,1.61E-15,-0.25,1.48E-16,-0.25,0.5,0,0,0,8.88E-16,-0.25,8.41E-17,-0.25,0.5,0,0,0,-3.45E-16,-0.25,-1.07E-16,-0.25,0.5,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,0,11.9,12.10010405,-0.152797442,0.047306612,6.8165,7.016604054,7,21,21,21,7,0,0,0,0,0,15.304898,3.573186822,2.945817421,2.945817421,1.753131121,1.753131121,1.122946561,1.122946561,0.083923071,1.840961226,1.840961226,1.114249919,1.114249919,0.614914746,0.614914746,0.489263751,0.083923071,3.600648477,2.984115995,2.984115995,1.834262961,1.834262961,1.247019953,1.247019953,0.270913902,1.778043787,1.778043787,1.008390927,1.008390927,0.466222489,0.466222489,0.329734575,0.270913902,3.72034929,3.152527083,3.152527083,2.176961494,2.176961494,1.732917972,1.732917972,0.943918427,1.590937281,1.590937281,0.678084935,0.678084935,0.038370948,0.038370948,0.223569137,0.943918427,3.620820476,3.012359315,3.012359315,1.893471859,1.893471859,1.335136272,1.335136272,0.399277246,1.737796762,1.737796762,0.939236481,0.939236481,0.366102466,0.366102466,0.22154323,0.399277246,3.778078745,3.233982116,3.233982116,2.332680125,2.332680125,1.937675008,1.937675008,1.207644823,1.531967921,1.531967921,0.57007717,0.57007717,0.22064231,0.22064231,0.429566078,1.207644823,3.666666667,3.076806853,3.076806853,2.026128512,2.026128512,1.525851121,1.525851121,0.666666667,1.661122191,1.661122191,0.804503713,0.804503713,0.163160582,0.163160582,1.78E-15,0.666666667,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.949747468,3.5,2.474873734,1.75,1.237436867,0.875,0.618718434,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0.088388348,0,4.949747468,3.5,2.474873734,1.75,1.237436867,0.875,0.618718434,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0.088388348,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.7307,32.319,30,36.69202147,60,8.571428571,30,1.00E-16,1.43E-17,-25.78731353,175.0832053,25.01188648,3.615682924,42,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,0,0,10.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.5,1.5,0.2,1.5,0.2,1.5,5.061,0,0,0,0,0,0,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0,0,0,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.41667,0.91667,6.41667,0,0,3.5,0.5,3.5,0,0,-0.086,-0.01229,0,0,0.333333333,7,0,0,0,0,0,0,1,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,19.28421252,19.28421252,19.28421252,19.28421252,19.28421252,19.28421252,0.209068641,0.209068641,0.209068641,0.209068641,0.209068641,0.209068641,3.474021589,3.474021589,3.474021589,3.474021589,3.474021589,3.474021589,0.209068641,0.209068641,0.209068641,0.209068641,0.209068641,0.209068641,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,27.64912502,27.64912502,27.64912502,27.64912502,27.64912502,27.64912502,5.142857143,3.06122449,1.959183673,0,0,0,2.23,0.9863,0,0,0,0,11.55674537,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.071,0.064,0.277,0.248,3.623,7,7,7,7,7,0,0,0,0,49,2.079441542,2.079441542,2.079441542,2.079441542,2.079441542,2.079441542,0,0,0,0,3.912023005,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,17.04891734,24,3.428571429,12.00002171,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,0,117.2718924,3.807354922,3.36729583,4.043051268,4.727387819,5.416100402,6.107022888,6.799055862,7.491645474,8.184513753,8.877521454,69.01359475,2.708050201,0,3.761200116,0,4.94875989,2.708050201,6.196444128,4.844187086,7.475905969,7.862497197,98.10955045,4.671883355,13.890625,1.984375,0,0,0,42,7,3.983,28,1.237139684,2.1277256,2.805837885,3.415636646,3.983938154,0,0,0,0,0,80.41435058,74.91635217,63.82139281,22.77902886,4.047936137,0,0,0,0,0,294.8345942,341.4884864,323.4814951,251.8032662,123.8357154,0,0,0,0,0,9.014891653,15.19149396,19.63689512,23.64274917,26.76594507,0,0,0,0,0,2.207144943,2.832423094,2.878826781,2.683188449,1.771310316,0,0,0,0,0,176.3978478,324.9720625,458.6340643,576.2589537,736.7004893,0,0,0,0,0,2.227064289,3.338157183,3.861948153,4.286093848,3.983938154,0,0,0,0,0,0.456596072,0.597124747,0.615691475,0.589311014,0.407955267,0,0,0,0,0,264.8230398,97.8738538,6.990989557,19.84409907,-7.334023703,-1.047717672,244.9789408,105.2078775,8.038707229,0.930290166,0.343818588,0.024558471,0.069709834,-0.025763507,-0.003680501,75.38641706,27.86146993,1.990104995,5.648962907,-2.087755544,-0.298250792,0.071428571,0.142857143,1.831389567,0.426803127,284.6671389,0,1,0,458.574433,21.4143511,7.711460042,594.1929381,24.37607307,8.407028029,757.7517979,27.52729187,9.116797851,1.048628695,1.03460627,244.5795166,163.9902344,135.0089725,1.491427325,1.81157972,1.214661747,3.353752729,3.525316625,5.262672839,0.492822744,4.42617716,5.257378854,8.450149804,13.39485808,9.935328749,13.88482253,5.936232225,3.884511853,3.851198768,0.003579908,2.45E-24,3.24E-67,8.25E-132,4.06E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331360145,5.186369363,0.678511001,3.615835624,1.517439649,0.561151528,0.365130626,0.02793616,0.027124308,2.52E-05,1.73E-26,2.28E-69,5.81E-134,2.86E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.096092781,5.19111491,2.209641811,4.739362343,2.373321918,2.140878135,1.266360698,0.286584195,0.2826562,2.63E-04,1.80E-25,2.38E-68,6.06E-133,2.98E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.150340161,5.249582829,7.954838391,12.48750335,9.114907176,12.66589146,5.511701894,3.46142758,3.431348767,0.003189634,2.18E-24,2.89E-67,7.35E-132,3.61E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.642170847,5.19726726,3.277112959,5.769715351,3.21691922,3.563776384,1.955085488,0.621078749,0.613967038,5.71E-04,3.91E-25,5.16E-68,1.32E-132,6.47E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.476039294,5.290159963,10.30624811,17.10487855,13.31938102,18.85585328,7.60285256,5.663312717,5.616611461,0.00522096,3.58E-24,4.72E-67,1.20E-131,5.92E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.83488047,5.217650114,5.543592927,8.593299137,5.643567533,7.412564045,3.572888111,1.728118186,1.711643897,0.00159107,1.09E-24,1.44E-67,3.67E-132,1.80E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.9039582,1.595267167,0.755762437,0.447465019,0.374916978,0.471037561,0.48157632,0.485494334,4.254987804,5.681905094,12.23238678,0.233572995,1.438108215,1.394088407,1.098686704,0.277259512,0.503274723,0.396632842,0.252442913,0.228292772,0.065242853,2.770034622,2.222812007,5.417515707,0.349861347,0.545978538,1.596585012,1.295914909,0.467309904,0.475201007,0.385710792,0.331152031,0.317685732,0.185454931,3.359809826,3.420732184,7.74742411,0.291367699,0.834292693,1.891334561,1.582973479,0.743916507,0.448372186,0.375270084,0.464807718,0.474175608,0.470377615,4.218224547,5.578527552,12.02398787,0.235463404,1.409360941,1.686849169,1.383826508,0.552021233,0.465633535,0.381987934,0.369678196,0.362287165,0.258854555,3.622696909,4.029384767,8.94066848,0.271432204,0.990819916,1.943479664,1.633755348,0.792848734,0.444723666,0.373849895,0.49081026,0.505117223,0.534369761,4.370083746,6.011376545,12.89889004,0.227860341,1.530297243,1.894671976,1.586223667,0.747048318,0.448130816,0.375176133,0.466450714,0.476126614,0.474350857,4.227943961,5.605770765,12.07887397,0.234960423,1.416928185 +UMLKV0077,L,BICYCLOHEXYL,C1CCC(CC1)C1CCCCC1,C12H22,Naphthene - major structure is saturated ring,Naphthenes,92-51-3,3.242374895,PubChem,,2.9175,0,-1.3178,1.73659684,40.8824,35.789446,0,0,34,12,22,0,12,0,0,0,0,0,0,0,0,0,1753.52286,2141.789509,2875.312624,2739.353246,2096.766682,1658.889128,1001.061604,370.491577,64.685376,5766.045198,8029.925283,12364.99223,13628.92066,11464.01957,9115.811391,6484.65413,3253.982585,956.2863764,238.2924,254.614612,515.243968,779.61164,753.773032,626.40656,499.790992,336.413476,135.965952,43.24828391,60.75367482,100.2915673,119.6322105,104.9076349,84.18885159,62.79508249,34.83322192,11.56798372,5589.720618,5017.022679,10921.52341,17931.60739,17800.11824,14969.38835,12064.13442,8494.119984,3571.172623,48.05555556,60.44444444,111.3333333,152.3333333,143,118.3333333,93,58.25,22,51.57420176,61.19398597,39.93489756,24.67885807,19.41450631,18.43210142,13.90363339,7.561052592,3.2342688,169.5895647,229.4264367,171.7360031,122.783069,106.1483293,101.2867932,90.0646407,66.40780787,47.81431882,7.0086,7.2747032,7.156166222,7.023528288,6.979379926,6.960072889,6.941541556,6.865581143,6.7982976,1.27200835,1.735819281,1.392938435,1.077767662,0.97136699,0.935431684,0.872153924,0.71088208,0.578399186,164.4035476,143.3435051,151.6878252,161.5460125,164.8159097,166.3265372,167.5574226,173.3493874,178.5586312,1.413398693,1.726984127,1.546296296,1.372372372,1.324074074,1.314814815,1.291666667,1.18877551,1.1,0.045233616,9.44E-04,-0.016829988,-0.009806476,-0.004204542,0.003124878,-0.007161851,0.002950323,0.005579573,940.0419522,50.68853664,-309.9960092,-220.3485147,-151.6466964,18.43219514,-139.0792906,90.90423513,130.7010201,1748.048151,94.25749836,-576.4508164,-409.7474722,-281.9935075,34.27545395,-258.6238798,169.040307,243.044128,0.184147765,0.009929536,-0.06072609,-0.043164761,-0.029706547,0.00361074,-0.027244678,0.017807516,0.025603433,7.814588565,0.421374874,-2.577003359,-1.831761847,-1.260642184,0.153227227,-1.156169075,0.755688823,1.086520335,42.44896911,2.288915001,-13.99832315,-9.950159426,-6.84782835,0.832332728,-6.280328763,4.10491368,5.901995705,1.777777778,-0.027777778,-0.666666667,-0.305555556,-0.111111111,0.111111111,-0.333333333,0.111111111,0.222222222,0.0013304,2.70E-05,-2.34E-04,-8.83E-05,-3.89E-05,3.47E-05,-9.95E-05,6.02E-05,2.79E-04,27.64829271,1.448243904,-4.305500128,-1.985121754,-1.404136078,0.204802168,-1.931656814,1.855188472,6.535051005,51.41318092,2.693071382,-8.006261339,-3.691418669,-2.611050995,0.380838377,-3.591998331,3.449802183,12.1522064,0.005416111,2.84E-04,-8.43E-04,-3.89E-04,-2.75E-04,4.01E-05,-3.78E-04,3.63E-04,0.001280172,0.22984084,0.012039282,-0.035791713,-0.016502359,-0.011672613,0.001702525,-0.016057904,0.015422221,0.054326017,1.248499091,0.065397571,-0.194421155,-0.089641076,-0.063405818,0.009248141,-0.087226788,0.083773749,0.295099785,0.052287582,-7.94E-04,-0.009259259,-0.002752753,-0.001028807,0.001234568,-0.00462963,0.002267574,0.011111111,0.020266314,-0.175698852,-0.066406042,-0.029262579,0.026098053,-0.074767074,0.04525755,0.209695256,0.052380952,-0.155723906,-0.071799072,-0.050785634,0.007407407,-0.06986532,0.067099567,0.236363636,0.052380952,-0.155723906,-0.071799072,-0.050785634,0.007407407,-0.06986532,0.067099567,0.236363636,0.052380952,-0.155723906,-0.071799072,-0.050785634,0.007407407,-0.06986532,0.067099567,0.236363636,0.052380952,-0.155723906,-0.071799072,-0.050785634,0.007407407,-0.06986532,0.067099567,0.236363636,0.052380952,-0.155723906,-0.071799072,-0.050785634,0.007407407,-0.06986532,0.067099567,0.236363636,-0.015178571,-0.177083333,-0.052646396,-0.019675926,0.023611111,-0.088541667,0.043367347,0.2125,1.370049667,1.347884307,1.031614027,0.949729485,0.906092126,0.996295982,0.744710475,0.457411739,1.335714286,1.357638889,1.072072072,0.983796296,0.897222222,0.944444444,0.693877551,0.425,1.335714286,1.357638889,1.072072072,0.983796296,0.897222222,0.944444444,0.693877551,0.425,1.335714286,1.357638889,1.072072072,0.983796296,0.897222222,0.944444444,0.693877551,0.425,1.335714286,1.357638889,1.072072072,0.983796296,0.897222222,0.944444444,0.693877551,0.425,1.335714286,1.357638889,1.072072072,0.983796296,0.897222222,0.944444444,0.693877551,0.425,1.414285714,1.33203125,0.998733108,0.935763889,0.922395833,1.03125,0.757653061,0.4640625,67.74718183,33.87359092,51.31509801,67.74718183,5.645598486,33.87359092,-7.11E-15,4.72E-16,3.93E-17,-42.3478579,66.34663729,5.528886441,5.033871694,67.74718183,33.87359092,51.31509801,67.74718183,5.645598486,33.87359092,-7.11E-15,4.72E-16,3.93E-17,-42.3478579,66.34663729,5.528886441,5.033871694,67.74718183,33.87359092,51.31509801,67.74718183,5.645598486,33.87359092,-7.11E-15,4.72E-16,3.93E-17,-42.3478579,66.34663729,5.528886441,5.033871694,67.74718183,33.87359092,51.31509801,67.74718183,5.645598486,33.87359092,-7.11E-15,4.72E-16,3.93E-17,-42.3478579,66.34663729,5.528886441,5.033871694,67.74718183,33.87359092,51.31509801,67.74718183,5.645598486,33.87359092,-7.11E-15,4.72E-16,3.93E-17,-42.3478579,66.34663729,5.528886441,5.033871694,67.74718183,33.87359092,51.31509801,67.74718183,5.645598486,33.87359092,-7.11E-15,4.72E-16,3.93E-17,-42.3478579,66.34663729,5.528886441,5.033871694,71.71861017,35.67860463,54.76997107,71.7070361,5.975586341,35.67860463,-0.023148148,0.005187864,4.32E-04,-6.313719841,62.181931,5.181827584,4.956077351,0,11.9,12.10021925,-0.151149975,0.049095887,6.956296875,9.783134821,13,35,35,35,13,0,0,0,0,0,24.050554,3.72473176,3.464619147,2.919703115,2.750129472,2.750129472,2.453753229,1.504373858,1.456797487,2.05241239,1.880331698,1.432967349,1.372874417,1.372874417,1.153836476,0.666206401,0.666206401,3.746515406,3.492952892,2.95361264,2.792995694,2.792995694,2.501210265,1.592737658,1.556142907,2.003593814,1.820089747,1.357647122,1.285229005,1.285229005,1.055305488,0.522081792,0.522081792,3.842637607,3.617028447,3.104833071,2.981537655,2.981537655,2.712447964,1.965223675,1.9628467,1.861920006,1.64169228,1.135300014,1.018928274,1.018928274,0.754632099,0.037619229,0.037619229,3.76257674,3.513799914,2.978730066,2.824624264,2.824624264,2.536394912,1.657228624,1.62787375,1.972692077,1.781623723,1.309546712,1.228596505,1.228596505,0.991468567,0.425347018,0.425347018,3.889747223,3.677133262,3.17924508,3.072480534,3.072480534,2.815119251,2.141548494,2.141548494,1.818215232,1.585672972,1.066264797,0.933903671,0.933903671,0.65880285,0.125967492,0.135164289,3.7878884,3.574273946,3.025548709,2.913871994,2.913871994,2.61942469,1.801304711,1.801304711,1.925649602,1.695641494,1.226412223,1.103191503,1.103191503,0.864309242,0.215758786,0.215758786,0,0,0,0,0,0,10,2,0,0,0,0,0.204124145,0.11785113,0,0,0,0.204124145,0.11785113,0.333333333,0,0.083333333,0,0.333333333,0,0.083333333,0,0.942809042,1.5,1.885618083,0.942809042,1.5,1.885618083,8.22576835,5.966326495,4.796180193,3.966326495,3.211142626,2.558078205,1.178511302,0.833333333,0.685480696,0.458948192,0.299761262,0.198316325,0.133797609,0.091359936,0.058925565,0.041666667,8.22576835,5.966326495,4.796180193,3.966326495,3.211142626,2.558078205,1.178511302,0.833333333,0.685480696,0.458948192,0.299761262,0.198316325,0.133797609,0.091359936,0.058925565,0.041666667,17.96010584,32.76620539,30.98039216,31.36,20.7840994,260.0535006,0.528238407,0.963711923,0.911188005,0.922352941,0.611297041,7.648632371,4.147,53.15,70.38474912,101.4858646,140.7694982,11.73079152,70.38474912,5.55E-17,4.63E-18,-44.9159373,75.88583335,6.323819446,5.195076022,140,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.4,0,0,0,0,0,0,0,0,0,0,0,0,0,15.39064815,0,0,0,2.276018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.517083333,0,0,0,1.138009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.560185185,0,0,0,1.138009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.66666667,1.472222222,0.2,1.560185185,0.2,1.138009259,8.385600278,0.195324074,0.060185185,0.781296296,0.195324074,0.060185185,0.781296296,6,0.5,0,0,0.44118,0.7,0.44118,0.44118,0.7,0,0,0,0,0.71429,0,0,0,0.16667,0,6.5,0.54167,6.5,0.54167,0,0,-6.5,-0.54167,0,0,14.15801,1.17983,14.15801,0,0,5.96631,0.49719,5.96631,0,0,-0.05231,-0.00436,0.11969,0.00997,0.352941176,37,0,0,0,0,0,0,1,0.936667382,1.16608706,1.736041168,2.469240782,2.631292988,2.418961196,31.84669098,39.64696004,59.0253997,83.95418659,89.4639616,82.24468065,0.184112869,0.229207976,0.341239086,0.485357999,0.517211245,0.475474961,4.150795459,3.921375781,3.351421674,2.618222059,2.456169853,2.668501646,0.182611757,0.227339193,0.338456888,0.481400768,0.512994307,0.471598309,6.773083881,9.52612002,13.23961016,15.75985329,14.14186735,13.92787406,47.12139429,42.98197258,36.9882166,33.97937071,37.29353279,38.07606225,8.591715976,4.296875,2.25,0,0,0,2.78,1.5822,0,0,0,0,15.69030319,9.490205613,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.093,0.104,0.349,0.426,6.018,16,20,24,28,20,20,16,12,8,189,2.63905733,2.833213344,3.044522438,3.218875825,3.36729583,3.044522438,3.044522438,2.833213344,2.564949357,2.197224577,5.247024072,1,0.428571429,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.076923077,1,0.076923077,1,4,7,0.75,1,0.888888889,0.375,0.062222222,0.138888889,0.078367347,0,0,0,0,0.076923077,0.055555556,0.026785714,0.006222222,0.017361111,0.019591837,0,0,0,0,0.202439517,33.87359092,51.31509801,67.74718183,5.645598486,33.87359092,4.72E-16,3.93E-17,-42.3478579,66.34663729,5.528886441,5.033871694,0,191.3953568,4.584962501,4.077537444,4.875197323,5.686975356,6.502790046,7.323170718,8.144098463,8.966866554,9.789366553,10.61277871,90.97878117,3.295836866,0,4.510859507,0,5.958424693,0,7.497207223,0,9.076466063,9.311361486,166.1721507,4.887416197,24.59443372,2.049536144,0,0,0,198,14,6.366,58,1.230313532,2.100246016,2.820666528,3.641800831,4.34610485,5.294970135,6.279108097,7.353484219,8.154997371,0,85.03303992,93.64352154,76.57217059,79.76738272,93.47893853,82.88576687,50.96881751,24.12981549,8.285999249,0,305.0358875,385.7833408,370.3772678,409.8161624,483.6216765,510.9223828,435.2854486,354.2165674,253.4878541,0,8.981349224,15.07525422,19.8823241,25.45954119,30.36869436,36.86289693,43.18479629,50.00365087,54.78905626,0,2.259142568,3.070119098,3.199482076,3.671349904,4.346418073,4.848799594,4.600799434,4.274158,3.62581707,0,174.4160149,315.4735534,450.2929696,597.361292,713.9689999,879.0209073,1082.585862,1312.03426,1508.002966,0,2.171147733,3.311204635,3.959769647,4.87993053,5.878522899,6.985650627,7.561056125,8.104461085,8.154997371,0,0.466430362,0.642621574,0.680217293,0.78614127,0.931227932,1.047683869,1.012006404,0.959665618,0.835071731,0,374.459911,221.0476733,9.998359392,43.46203632,-25.65610288,-2.274744096,330.9978747,246.7037762,12.27310349,0.896004418,0.52892095,0.023923987,0.103995582,-0.0613897,-0.005442988,156.4950152,92.38067408,4.178533827,18.16373885,-10.72224848,-0.950665482,0.051035513,0.089416173,0.791436065,0.253081624,417.9219474,0,1,0,931.1974037,30.51552726,9.765187476,1144.312198,33.82768389,10.45959436,1679.848726,40.98595767,11.88748709,1.866614501,1.866614501,1065.324239,912.324811,219.8006787,1.167702803,4.846774112,4.15069151,4.754638456,5.063261847,8.601420311,0.698790339,6.137051318,8.30214955,13.34291562,20.02215349,28.93075911,13.94873815,20.63813224,14.76387452,12.22510059,15.77098829,11.37780523,6.534103284,7.121276416,5.862422924,2.278252365,1.298729479,1.26E-07,8.57E-36,1.12E-85,2.84E-157,1.39E-250,0,0,0,0,0,0,0,0,0,0.51617534,8.296575825,0.915651795,7.071186137,1.548398799,1.758749855,3.460498792,1.126401106,3.228714238,1.565002821,1.504305017,0.735393061,0.3767924,0.117723627,0.024047552,0.009147058,8.88E-10,6.04E-38,7.92E-88,2.00E-159,9.78E-253,0,0,0,0,0,0,0,0,0,1.66351596,8.296961116,3.090330503,8.261283849,5.5349743,3.607444664,5.202806225,2.86717947,4.473072266,3.258087357,2.692241234,1.661548183,1.183291712,0.626642666,0.187768579,0.095319396,9.25E-09,6.29E-37,8.25E-87,2.09E-158,1.02E-251,0,0,0,0,0,0,0,0,0,5.792945319,8.301542147,12.45406708,18.71511472,26.68743148,12.97622714,18.96248019,13.56004738,11.46491961,14.47443172,10.48063022,6.088020645,6.506668308,5.275942692,2.03539144,1.157144584,1.12E-07,7.64E-36,1.00E-85,2.53E-157,1.24E-250,0,0,0,0,0,0,0,0,0,2.451129327,8.297449016,4.690661816,9.509814195,8.747522464,5.066408859,6.92261786,4.371833988,5.503060975,4.778619134,3.753410924,2.373777344,1.906230508,1.17306488,0.388168266,0.207046465,2.01E-08,1.37E-36,1.79E-86,4.53E-158,2.21E-251,0,0,0,0,0,0,0,0,0,7.411120951,8.30470072,16.77932456,25.4453537,37.88057654,17.80639706,27.55087905,19.64002052,15.2774991,21.05623969,15.03200934,8.28917209,9.625926551,8.300486037,3.29651785,1.894074888,1.84E-07,1.25E-35,1.64E-85,4.15E-157,2.02E-250,0,0,0,0,0,0,0,0,0,4.204715872,8.092765344,8.442923647,13.24137165,17.01753729,8.871221623,12.18938624,8.497177694,8.365388444,9.219696753,6.857803531,4.211804601,4.001574133,2.934119565,1.075136564,0.599200215,5.82E-08,3.95E-36,5.19E-86,1.31E-157,6.40E-251,0,0,0,0,0,0,0,0,0,6.101321845,1.766585199,0.682563867,0.713565593,0.206606773,0.565742571,0.575777546,0.43827611,8.550470911,16.14885392,32.05634279,0.570348389,1.579796227,5.289250211,1.121951282,0.200982711,0.799924813,0.169679375,0.425363694,0.232442281,0.037866637,6.612184205,7.222821714,15.02769382,0.699887219,0.695672612,5.602970418,1.371109889,0.38709457,0.761151652,0.186262371,0.477220823,0.34707756,0.140686052,7.361174877,10.38191676,20.71686367,0.641727478,0.964984435,6.080305306,1.749914844,0.670107326,0.715302478,0.205864403,0.561856976,0.564983206,0.422395321,8.500327476,15.8871044,31.51738488,0.572953717,1.549235502,5.746476056,1.485030701,0.472199119,0.745936585,0.192768354,0.501938019,0.407086568,0.209477043,7.703705875,11.94840448,23.68171284,0.618904878,1.11850163,6.167433348,1.819020642,0.721746061,0.708232851,0.20888595,0.578053024,0.610390838,0.490145112,8.708200052,16.98288028,33.78812463,0.562349276,1.678588973,6.090306587,1.755604406,0.673603554,0.714865448,0.206068597,0.563705521,0.568654953,0.426815891,8.519514547,15.97720261,31.69900024,0.572298173,1.559176364 +UMLKV0078,L,CIS-DECAHYDRONAPHTHALENE,C1CCC2CCCCC2C1,C10H18,Naphthene - major structure is saturated ring,Naphthenes,91-17-8,3.0753945,PubChem,,2.6582,0,-0.7418,0.55026724,35.0592,29.602274,0,0,28,10,18,0,10,0,0,0,0,0,0,0,0,0,1460.930362,1804.832915,2487.89555,2345.839788,1438.939158,619.740914,121.24224,8.128512,0,4794.676417,6723.945014,10537.898,11615.32397,8832.862308,4844.062374,1663.902797,248.6699554,0,196.337512,211.063052,429.784952,653.84184,627.157464,454.64276,218.184192,53.747712,0,35.89203229,50.72169758,84.91618702,101.5891527,83.51386583,50.08737963,19.5790642,3.556903239,0,4596.461297,4150.943776,9073.119015,14973.69708,14894.86432,11325.23594,5663.00403,1479.341216,0,39.55555556,49.94444444,92.83333333,128.3333333,118.1666667,80.5,36,8,0,52.17608436,62.23561776,41.46492583,25.22408374,15.98821287,9.390013848,3.78882,1.016064,0,171.2384435,231.8601729,175.6316334,124.8959567,98.14291453,73.39488445,51.99696242,31.08374443,0,7.012054,7.278036276,7.163082533,7.030557419,6.968416267,6.888526667,6.818256,6.718464,0,1.281858296,1.749024054,1.415269784,1.092356481,0.927931843,0.758899691,0.611845756,0.444612905,0,164.159332,143.1359923,151.2186502,161.0074955,165.4984924,171.5944839,176.9688759,184.917652,0,1.412698413,1.722222222,1.547222222,1.379928315,1.312962963,1.21969697,1.125,1,0,0.036870922,9.44E-04,-0.012645419,-0.008225513,-0.011527987,0.001703548,0.005737944,0.005578082,0,778.2814864,50.03238127,-232.2490785,-224.2191901,-305.1357574,50.65006499,148.2440927,123.5367439,0,1447.247658,93.03734943,-431.8770788,-416.9451586,-567.4129706,94.18595868,275.6662205,229.7218504,0,0.15246,0.009801,-0.045496,-0.043923,-0.059774,0.009922,0.02904,0.0242,0,6.469870403,0.41592024,-1.930691485,-1.863938854,-2.536599983,0.421055058,1.232356267,1.026963556,0,35.14443871,2.259285346,-10.48754679,-10.12494544,-13.77885137,2.287177757,6.694178802,5.578482335,0,1.444444444,-0.027777778,-0.5,-0.194444444,-0.444444444,-2.57E-15,0.222222222,0.222222222,0,0.001316819,3.25E-05,-2.11E-04,-8.84E-05,-1.28E-04,2.58E-05,1.79E-04,6.97E-04,0,27.79576737,1.725254527,-3.870817975,-2.410959034,-3.390397304,0.767425227,4.632627895,15.44209298,0,51.68741635,3.208184463,-7.197951314,-4.483281275,-6.304588562,1.42705998,8.614569392,28.71523131,0,0.005445,3.38E-04,-7.58E-04,-4.72E-04,-6.64E-04,1.50E-04,9.07E-04,0.003025,0,0.2310668,0.014342077,-0.032178191,-0.020042353,-0.028184444,0.006379622,0.038511133,0.128370444,0,1.255158525,0.077906391,-0.174792447,-0.108870381,-0.153098349,0.034654208,0.209193088,0.697310292,0,0.051587302,-9.58E-04,-0.008333333,-0.0020908,-0.004938272,-3.90E-17,0.006944444,0.027777778,0,0.024716904,-0.160050119,-0.06716671,-0.09727136,0.019601279,0.136169674,0.529503674,0,0.062068966,-0.139259259,-0.086738351,-0.121975309,0.027609428,0.166666667,0.555555556,0,0.062068966,-0.139259259,-0.086738351,-0.121975309,0.027609428,0.166666667,0.555555556,0,0.062068966,-0.139259259,-0.086738351,-0.121975309,0.027609428,0.166666667,0.555555556,0,0.062068966,-0.139259259,-0.086738351,-0.121975309,0.027609428,0.166666667,0.555555556,0,0.062068966,-0.139259259,-0.086738351,-0.121975309,0.027609428,0.166666667,0.555555556,0,-0.018567639,-0.161538462,-0.040529363,-0.095726496,-7.56E-16,0.134615385,0.538461538,0,1.342958085,1.317299795,1.036601397,1.018917915,0.812883116,0.57060625,0,0,1.303448276,1.33,1.083870968,1.026666667,0.763636364,0.525,0,0,1.303448276,1.33,1.083870968,1.026666667,0.763636364,0.525,0,0,1.303448276,1.33,1.083870968,1.026666667,0.763636364,0.525,0,0,1.303448276,1.33,1.083870968,1.026666667,0.763636364,0.525,0,0,1.303448276,1.33,1.083870968,1.026666667,0.763636364,0.525,0,0,1.396551724,1.298076923,0.993796526,1.026923077,0.84965035,0.584134615,0,0,44.3179778,22.1589889,32.1589889,44.3179778,4.43179778,22.1589889,-7.11E-15,5.27E-16,5.27E-17,-35.17865595,5000017.121,500001.7121,15.42495189,44.3179778,22.1589889,32.1589889,44.3179778,4.43179778,22.1589889,-7.11E-15,5.27E-16,5.27E-17,-35.17865595,5000017.121,500001.7121,15.42495189,44.3179778,22.1589889,32.1589889,44.3179778,4.43179778,22.1589889,-7.11E-15,5.27E-16,5.27E-17,-35.17865595,5000017.121,500001.7121,15.42495189,44.3179778,22.1589889,32.1589889,44.3179778,4.43179778,22.1589889,-7.11E-15,5.27E-16,5.27E-17,-35.17865595,5000017.121,500001.7121,15.42495189,44.3179778,22.1589889,32.1589889,44.3179778,4.43179778,22.1589889,-7.11E-15,5.27E-16,5.27E-17,-35.17865595,5000017.121,500001.7121,15.42495189,44.3179778,22.1589889,32.1589889,44.3179778,4.43179778,22.1589889,-7.11E-15,5.27E-16,5.27E-17,-35.17865595,5000017.121,500001.7121,15.42495189,46.18351955,22.82289526,33.2900438,46.17463066,4.617463066,22.82289526,-0.022222222,0.015709334,0.001570933,-4.153500225,259.8331903,25.98331903,5.560039849,0,11.9,12.10017173,-0.143946198,0.056569926,7.2238125,9.245567794,11,29,29,29,11,0,0,0,0,0,19.677726,3.743078852,3.249775395,2.928531694,2.641561682,2.459820995,1.654987929,1.35766293,1.206347075,2.06430613,1.724171079,1.463302891,1.233185461,1.189098848,0.757863935,0.599975085,0.547818336,3.764442493,3.282201666,2.964117745,2.680442741,2.510897621,1.741743155,1.459126341,1.314693054,2.016427941,1.655976007,1.385504819,1.146920766,1.088863242,0.62194973,0.452121925,0.393253775,3.858666694,3.424346443,3.122523201,2.854988672,2.734801489,2.104797839,1.876942851,1.778468089,1.877563723,1.452583651,1.154354357,0.890259254,0.778913401,0.172849073,0.046080835,0.137605973,3.780191068,3.306076094,2.990466187,2.709324748,2.548571849,1.804861679,1.532597305,1.39352899,1.986131194,1.612285733,1.335684977,1.091608351,1.023618422,0.531260614,0.352776267,0.28876486,3.904834438,3.493124,3.200205685,2.941128325,2.841861735,2.268045511,2.060904076,1.978039144,1.834731193,1.38842831,1.082182257,0.810360657,0.678434677,0.016182923,0.22393272,0.332554811,3.806025351,3.381570076,3.055649123,2.763935841,2.654572333,1.964241149,1.705927834,1.594952224,1.938833505,1.508440758,1.234970512,0.994538839,0.877729683,0.33199289,0.139731373,0.058990633,0,0,0,0,0,0,8,2,0,0,0,0,0.166666667,0.23570226,0,0,0,0.166666667,0.23570226,0.333333333,0,0.083333333,0,0.333333333,0,0.083333333,0,0.942809042,1.5,1.885618083,0.942809042,1.5,1.885618083,6.811554788,4.966326495,4.089073412,3.466326495,2.857589235,2.316496581,1.140119483,0.704124145,0.681155479,0.451484227,0.292076672,0.192573694,0.12989042,0.089096022,0.063339971,0.044007759,6.811554788,4.966326495,4.089073412,3.466326495,2.857589235,2.316496581,1.140119483,0.704124145,0.681155479,0.451484227,0.292076672,0.192573694,0.12989042,0.089096022,0.063339971,0.044007759,14.87645023,26.99053168,25.52941176,25.84,17.18699042,213.9969904,0.531301794,0.96394756,0.911764706,0.922857143,0.613821086,7.642749658,3.3668,43.916,69.06175437,80.55467971,138.1235087,13.81235087,69.06175437,1.05E-15,1.05E-16,-34.48550877,35.25843786,3.525843786,3.562704872,90,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,12.35648148,0,0,0,2.310185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.528935185,0,0,0,1.155092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.560185185,0,0,0,1.155092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66666667,1.466666667,0.2,1.560185185,0.2,1.155092593,6.937652778,0.178240741,0.060185185,0.712962963,0.178240741,0.060185185,0.712962963,5,0.5,0,0,0.44286,0.7,0.44286,0.44286,0.7,0,0,0,0,0.71429,0,0,0,0.2,0,5.5,0.55,5.5,0.55,0,0,-5.5,-0.55,0,0,10.92696,1.0927,10.92696,0,0,4.96631,0.49663,4.96631,0,0,-0.05231,-0.00523,0.11969,0.01197,0.357142857,31,0,0,0,0,0,0,1,0.940285959,1.198117421,1.807354922,2.378783493,2.182005815,2.120952031,26.32800684,33.54728779,50.60593782,66.60593782,61.09616281,59.38665687,0.195593205,0.249225913,0.375956207,0.494821691,0.453889062,0.441188983,3.867068963,3.609237501,3,2.428571429,2.625349107,2.686402891,0.193554886,0.246628676,0.372038286,0.489665047,0.449158985,0.436591257,6.779097864,9.873075414,13.62770164,14.20360166,11.84226951,13.94375265,39.20654966,35.42600366,30.43931939,31.3199826,35.57548876,31.9500736,6.694214876,2.93877551,1.382716049,0,0,0,2.56,1.3004,0,0,0,0,11.67863166,8.596559455,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.093,0.104,0.349,0.426,5.02,14,18,22,26,18,16,14,12,0,161,2.48490665,2.708050201,2.944438979,3.135494216,3.295836866,2.944438979,2.833213344,2.708050201,2.564949357,0,5.087596335,1,0.4,2,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,3,0,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,3,5,0.666666667,1,0.888888889,0.25,0.284444444,0,0,0,0,0,0,0.090909091,0.063492063,0.020833333,0.047407407,0,0,0,0,0,0,0.222641895,22.1589889,32.1589889,44.3179778,4.43179778,22.1589889,5.27E-16,5.27E-17,-35.17865595,5000017.121,500001.7121,15.42495189,0,156.8033876,4.321928095,3.931825633,4.744932128,5.572154032,6.401917197,7.23489842,8.068089626,8.902047346,9.735956081,10.57005972,86.16188019,3.135494216,0,4.369447852,0,5.84932478,0,7.43543802,0,9.066816362,9.288504393,138.1408506,4.933601806,20.65842448,2.065842448,0,0,0,109,12,5.228,50,1.270785685,2.19826069,2.916146598,3.63107027,4.682064841,5.473553678,6.348633768,0,0,0,92.03105568,100.0206354,81.68676499,67.7685383,47.14499191,21.48875073,6.450618221,0,0,0,324.8852768,409.7395091,387.0347176,390.6898338,357.7638378,290.2682871,197.3393095,0,0,0,9.290239855,15.79316746,20.55224329,25.40714085,32.30486504,37.34709872,42.65306742,0,0,0,2.386712269,3.250396779,3.323532718,3.598942682,3.654782148,3.394231839,2.822684502,0,0,0,179.3166937,329.1490399,465.9418552,593.0426408,799.3531702,966.4973209,1173.97445,0,0,0,2.251524163,3.466013791,4.095301022,4.911406611,5.779415433,6.191578897,6.348633768,0,0,0,0.492025051,0.679927327,0.706002754,0.773432704,0.799571081,0.758092437,0.650100098,0,0,0,351.2760045,170.2690173,9.392107189,32.48645696,-15.74669785,-1.68755481,318.7895475,186.0157152,11.079662,0.915347486,0.443683357,0.024473752,0.084652514,-0.041032408,-0.004397394,134.8065441,65.34285719,3.604338173,12.46708268,-6.042991524,-0.647620188,0.062153552,0.108408697,0.790604235,0.487530949,383.7624614,0,1,0,680.4474022,26.08538676,8.795587501,854.8140517,29.23720321,9.490531847,1229.04773,35.05777703,10.71164694,1.830130358,1.830130358,619.3488166,473.5784152,205.7930662,1.307806261,3.009570867,2.301236013,4.224271539,3.959912203,7.268697914,0.835570473,5.020209997,7.823463834,6.572015318,32.93681581,9.704162098,16.34440588,18.07766377,8.01949668,12.02718399,4.822135872,6.153177405,0.095724794,0.068412829,0.004766654,5.94E-24,1.43E-66,6.67E-131,5.99E-217,0,0,0,0,0,0,0,0,0,0,0,0,0.42131147,7.823126418,0.50692399,11.83897913,2.788685022,1.105172193,1.385872457,0.505760001,1.609644429,0.115782287,0.132474382,7.40E-04,4.82E-04,3.36E-05,4.18E-26,1.01E-68,4.70E-133,4.22E-219,0,0,0,0,0,0,0,0,0,0,0,0,1.360044705,7.823149673,1.665812494,14.0016981,3.449631013,3.735725229,4.053639738,1.633683763,2.896790904,0.563983417,0.68061873,0.007194147,0.005021115,3.50E-04,4.36E-25,1.05E-67,4.90E-132,4.40E-218,0,0,0,0,0,0,0,0,0,0,0,0,4.738668725,7.823427039,6.172722637,30.8868162,9.015246332,15.24162763,16.79423499,7.415956016,11.09251475,4.352722792,5.543746433,0.085334224,0.060954599,0.004247003,5.29E-24,1.28E-66,5.94E-131,5.34E-217,0,0,0,0,0,0,0,0,0,0,0,0,2.004455641,7.823179182,2.484847251,16.12287527,4.126233332,5.684068886,6.104516514,2.528455541,4.029580797,1.023821197,1.259049073,0.015465271,0.010906532,7.60E-04,9.47E-25,2.29E-67,1.06E-131,9.55E-218,0,0,0,0,0,0,0,0,0,0,0,0,6.062630606,7.823618392,8.082199361,41.38815378,12.5564251,20.62034165,23.12661514,10.41713212,15.82496805,6.766006357,8.683090629,0.13939171,0.099773682,0.006951717,8.66E-24,2.09E-66,9.73E-131,8.74E-217,0,0,0,0,0,0,0,0,0,0,0,0,3.457444913,7.599861973,4.312725741,22.34960461,6.155691548,10.16649555,11.24430237,4.923695317,7.364381168,2.488852504,3.129960569,0.044698438,0.031803485,0.002215903,2.76E-24,6.66E-67,3.10E-131,2.78E-217,0,0,0,0,0,0,0,0,0,0,0,0,3.953262618,1.878818653,0.72933402,0.60250151,0.286343505,0.533605778,0.506382947,0.394753044,6.56141529,11.68099882,23.65951596,0.403752264,1.434741769,3.210871592,1.272428172,0.21718646,0.683093501,0.270701394,0.35189167,0.232314081,0.03495653,4.700486224,5.059315474,10.64713945,0.524640252,0.619162281,3.496011253,1.505455356,0.413971644,0.645563866,0.277993264,0.417207817,0.325192611,0.12707615,5.415438254,7.333554223,14.92776203,0.468345798,0.869476578,3.933871907,1.86299291,0.715965143,0.604018826,0.286049678,0.528377823,0.497894995,0.380402141,6.51282996,11.47912862,23.23910636,0.406028239,1.406674959,3.627138092,1.612564333,0.504433264,0.631450629,0.280732284,0.449118144,0.373097219,0.188728912,5.744135689,8.492073715,17.1866363,0.447175943,1.010944275,4.014321816,1.928648005,0.77142853,0.597867688,0.287240629,0.550237007,0.533574824,0.441677412,6.71439835,12.32679023,25.01375316,0.396801531,1.525489243,3.942802891,1.868342534,0.719970421,0.603695139,0.286067891,0.530781217,0.500746052,0.384682141,6.531115845,11.55035916,23.38514167,0.405542709,1.416209409 +UMLKV0079,L,TRANS-DECAHYDRONAPHTHALENE,C1CCC2CCCCC2C1,C10H18,Naphthene - major structure is saturated ring,Naphthenes,91-17-8,3.0753945,PubChem,,1.815,0,-0.7418,0.55026724,35.0592,29.602274,0,0,28,10,18,0,10,0,0,0,0,0,0,0,0,0,1460.930362,1804.832915,2487.89555,2345.839788,1438.939158,619.740914,121.24224,8.128512,0,4794.676417,6723.945014,10537.898,11615.32397,8832.862308,4844.062374,1663.902797,248.6699554,0,196.337512,211.063052,429.784952,653.84184,627.157464,454.64276,218.184192,53.747712,0,35.89203229,50.72169758,84.91618702,101.5891527,83.51386583,50.08737963,19.5790642,3.556903239,0,4596.461297,4150.943776,9073.119015,14973.69708,14894.86432,11325.23594,5663.00403,1479.341216,0,39.55555556,49.94444444,92.83333333,128.3333333,118.1666667,80.5,36,8,0,52.17608436,62.23561776,41.46492583,25.22408374,15.98821287,9.390013848,3.78882,1.016064,0,171.2384435,231.8601729,175.6316334,124.8959567,98.14291453,73.39488445,51.99696242,31.08374443,0,7.012054,7.278036276,7.163082533,7.030557419,6.968416267,6.888526667,6.818256,6.718464,0,1.281858296,1.749024054,1.415269784,1.092356481,0.927931843,0.758899691,0.611845756,0.444612905,0,164.159332,143.1359923,151.2186502,161.0074955,165.4984924,171.5944839,176.9688759,184.917652,0,1.412698413,1.722222222,1.547222222,1.379928315,1.312962963,1.21969697,1.125,1,0,0.036870922,9.44E-04,-0.012645419,-0.008225513,-0.011527987,0.001703548,0.005737944,0.005578082,0,778.2814864,50.03238127,-232.2490785,-224.2191901,-305.1357574,50.65006499,148.2440927,123.5367439,0,1447.247658,93.03734943,-431.8770788,-416.9451586,-567.4129706,94.18595868,275.6662205,229.7218504,0,0.15246,0.009801,-0.045496,-0.043923,-0.059774,0.009922,0.02904,0.0242,0,6.469870403,0.41592024,-1.930691485,-1.863938854,-2.536599983,0.421055058,1.232356267,1.026963556,0,35.14443871,2.259285346,-10.48754679,-10.12494544,-13.77885137,2.287177757,6.694178802,5.578482335,0,1.444444444,-0.027777778,-0.5,-0.194444444,-0.444444444,-2.57E-15,0.222222222,0.222222222,0,0.001316819,3.25E-05,-2.11E-04,-8.84E-05,-1.28E-04,2.58E-05,1.79E-04,6.97E-04,0,27.79576737,1.725254527,-3.870817975,-2.410959034,-3.390397304,0.767425227,4.632627895,15.44209298,0,51.68741635,3.208184463,-7.197951314,-4.483281275,-6.304588562,1.42705998,8.614569392,28.71523131,0,0.005445,3.38E-04,-7.58E-04,-4.72E-04,-6.64E-04,1.50E-04,9.07E-04,0.003025,0,0.2310668,0.014342077,-0.032178191,-0.020042353,-0.028184444,0.006379622,0.038511133,0.128370444,0,1.255158525,0.077906391,-0.174792447,-0.108870381,-0.153098349,0.034654208,0.209193088,0.697310292,0,0.051587302,-9.58E-04,-0.008333333,-0.0020908,-0.004938272,-3.90E-17,0.006944444,0.027777778,0,0.024716904,-0.160050119,-0.06716671,-0.09727136,0.019601279,0.136169674,0.529503674,0,0.062068966,-0.139259259,-0.086738351,-0.121975309,0.027609428,0.166666667,0.555555556,0,0.062068966,-0.139259259,-0.086738351,-0.121975309,0.027609428,0.166666667,0.555555556,0,0.062068966,-0.139259259,-0.086738351,-0.121975309,0.027609428,0.166666667,0.555555556,0,0.062068966,-0.139259259,-0.086738351,-0.121975309,0.027609428,0.166666667,0.555555556,0,0.062068966,-0.139259259,-0.086738351,-0.121975309,0.027609428,0.166666667,0.555555556,0,-0.018567639,-0.161538462,-0.040529363,-0.095726496,-7.56E-16,0.134615385,0.538461538,0,1.342958085,1.317299795,1.036601397,1.018917915,0.812883116,0.57060625,0,0,1.303448276,1.33,1.083870968,1.026666667,0.763636364,0.525,0,0,1.303448276,1.33,1.083870968,1.026666667,0.763636364,0.525,0,0,1.303448276,1.33,1.083870968,1.026666667,0.763636364,0.525,0,0,1.303448276,1.33,1.083870968,1.026666667,0.763636364,0.525,0,0,1.303448276,1.33,1.083870968,1.026666667,0.763636364,0.525,0,0,1.396551724,1.298076923,0.993796526,1.026923077,0.84965035,0.584134615,0,0,44.3179778,22.1589889,32.1589889,44.3179778,4.43179778,22.1589889,-7.11E-15,5.27E-16,5.27E-17,-35.17865595,5000017.121,500001.7121,15.42495189,44.3179778,22.1589889,32.1589889,44.3179778,4.43179778,22.1589889,-7.11E-15,5.27E-16,5.27E-17,-35.17865595,5000017.121,500001.7121,15.42495189,44.3179778,22.1589889,32.1589889,44.3179778,4.43179778,22.1589889,-7.11E-15,5.27E-16,5.27E-17,-35.17865595,5000017.121,500001.7121,15.42495189,44.3179778,22.1589889,32.1589889,44.3179778,4.43179778,22.1589889,-7.11E-15,5.27E-16,5.27E-17,-35.17865595,5000017.121,500001.7121,15.42495189,44.3179778,22.1589889,32.1589889,44.3179778,4.43179778,22.1589889,-7.11E-15,5.27E-16,5.27E-17,-35.17865595,5000017.121,500001.7121,15.42495189,44.3179778,22.1589889,32.1589889,44.3179778,4.43179778,22.1589889,-7.11E-15,5.27E-16,5.27E-17,-35.17865595,5000017.121,500001.7121,15.42495189,46.18351955,22.82289526,33.2900438,46.17463066,4.617463066,22.82289526,-0.022222222,0.015709334,0.001570933,-4.153500225,259.8331903,25.98331903,5.560039849,0,11.9,12.10017173,-0.143946198,0.056569926,7.2238125,9.245567794,11,29,29,29,11,0,0,0,0,0,19.677726,3.743078852,3.249775395,2.928531694,2.641561682,2.459820995,1.654987929,1.35766293,1.206347075,2.06430613,1.724171079,1.463302891,1.233185461,1.189098848,0.757863935,0.599975085,0.547818336,3.764442493,3.282201666,2.964117745,2.680442741,2.510897621,1.741743155,1.459126341,1.314693054,2.016427941,1.655976007,1.385504819,1.146920766,1.088863242,0.62194973,0.452121925,0.393253775,3.858666694,3.424346443,3.122523201,2.854988672,2.734801489,2.104797839,1.876942851,1.778468089,1.877563723,1.452583651,1.154354357,0.890259254,0.778913401,0.172849073,0.046080835,0.137605973,3.780191068,3.306076094,2.990466187,2.709324748,2.548571849,1.804861679,1.532597305,1.39352899,1.986131194,1.612285733,1.335684977,1.091608351,1.023618422,0.531260614,0.352776267,0.28876486,3.904834438,3.493124,3.200205685,2.941128325,2.841861735,2.268045511,2.060904076,1.978039144,1.834731193,1.38842831,1.082182257,0.810360657,0.678434677,0.016182923,0.22393272,0.332554811,3.806025351,3.381570076,3.055649123,2.763935841,2.654572333,1.964241149,1.705927834,1.594952224,1.938833505,1.508440758,1.234970512,0.994538839,0.877729683,0.33199289,0.139731373,0.058990633,0,0,0,0,0,0,8,2,0,0,0,0,0.166666667,0.23570226,0,0,0,0.166666667,0.23570226,0.333333333,0,0.083333333,0,0.333333333,0,0.083333333,0,0.942809042,1.5,1.885618083,0.942809042,1.5,1.885618083,6.811554788,4.966326495,4.089073412,3.466326495,2.857589235,2.316496581,1.140119483,0.704124145,0.681155479,0.451484227,0.292076672,0.192573694,0.12989042,0.089096022,0.063339971,0.044007759,6.811554788,4.966326495,4.089073412,3.466326495,2.857589235,2.316496581,1.140119483,0.704124145,0.681155479,0.451484227,0.292076672,0.192573694,0.12989042,0.089096022,0.063339971,0.044007759,14.87645023,26.99053168,25.52941176,25.84,17.18699042,213.9969904,0.531301794,0.96394756,0.911764706,0.922857143,0.613821086,7.642749658,3.3668,43.916,69.06175437,80.55467971,138.1235087,13.81235087,69.06175437,1.05E-15,1.05E-16,-34.48550877,35.25843786,3.525843786,3.562704872,90,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,12.35648148,0,0,0,2.310185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.528935185,0,0,0,1.155092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.560185185,0,0,0,1.155092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66666667,1.466666667,0.2,1.560185185,0.2,1.155092593,6.937652778,0.178240741,0.060185185,0.712962963,0.178240741,0.060185185,0.712962963,5,0.5,0,0,0.44286,0.7,0.44286,0.44286,0.7,0,0,0,0,0.71429,0,0,0,0.2,0,5.5,0.55,5.5,0.55,0,0,-5.5,-0.55,0,0,10.92696,1.0927,10.92696,0,0,4.96631,0.49663,4.96631,0,0,-0.05231,-0.00523,0.11969,0.01197,0.357142857,31,0,0,0,0,0,0,1,0.940285959,1.198117421,1.807354922,2.378783493,2.182005815,2.120952031,26.32800684,33.54728779,50.60593782,66.60593782,61.09616281,59.38665687,0.195593205,0.249225913,0.375956207,0.494821691,0.453889062,0.441188983,3.867068963,3.609237501,3,2.428571429,2.625349107,2.686402891,0.193554886,0.246628676,0.372038286,0.489665047,0.449158985,0.436591257,6.779097864,9.873075414,13.62770164,14.20360166,11.84226951,13.94375265,39.20654966,35.42600366,30.43931939,31.3199826,35.57548876,31.9500736,6.694214876,2.93877551,1.382716049,0,0,0,2.56,1.3004,0,0,0,0,11.67863166,8.596559455,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.093,0.104,0.349,0.426,5.02,14,18,22,26,18,16,14,12,0,161,2.48490665,2.708050201,2.944438979,3.135494216,3.295836866,2.944438979,2.833213344,2.708050201,2.564949357,0,5.087596335,1,0.4,2,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,3,0,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,3,5,0.666666667,1,0.888888889,0.25,0.284444444,0,0,0,0,0,0,0.090909091,0.063492063,0.020833333,0.047407407,0,0,0,0,0,0,0.222641895,22.1589889,32.1589889,44.3179778,4.43179778,22.1589889,5.27E-16,5.27E-17,-35.17865595,5000017.121,500001.7121,15.42495189,0,156.8033876,4.321928095,3.931825633,4.744932128,5.572154032,6.401917197,7.23489842,8.068089626,8.902047346,9.735956081,10.57005972,86.16188019,3.135494216,0,4.369447852,0,5.84932478,0,7.43543802,0,9.066816362,9.288504393,138.1408506,4.933601806,20.65842448,2.065842448,0,0,0,109,12,5.228,50,1.270785685,2.19826069,2.916146598,3.63107027,4.682064841,5.473553678,6.348633768,0,0,0,92.03105568,100.0206354,81.68676499,67.7685383,47.14499191,21.48875073,6.450618221,0,0,0,324.8852768,409.7395091,387.0347176,390.6898338,357.7638378,290.2682871,197.3393095,0,0,0,9.290239855,15.79316746,20.55224329,25.40714085,32.30486504,37.34709872,42.65306742,0,0,0,2.386712269,3.250396779,3.323532718,3.598942682,3.654782148,3.394231839,2.822684502,0,0,0,179.3166937,329.1490399,465.9418552,593.0426408,799.3531702,966.4973209,1173.97445,0,0,0,2.251524163,3.466013791,4.095301022,4.911406611,5.779415433,6.191578897,6.348633768,0,0,0,0.492025051,0.679927327,0.706002754,0.773432704,0.799571081,0.758092437,0.650100098,0,0,0,351.2760045,170.2690173,9.392107189,32.48645696,-15.74669785,-1.68755481,318.7895475,186.0157152,11.079662,0.915347486,0.443683357,0.024473752,0.084652514,-0.041032408,-0.004397394,134.8065441,65.34285719,3.604338173,12.46708268,-6.042991524,-0.647620188,0.062153552,0.108408697,0.790604235,0.487530949,383.7624614,0,1,0,680.4474022,26.08538676,8.795587501,854.8140517,29.23720321,9.490531847,1229.04773,35.05777703,10.71164694,1.830130358,1.830130358,619.3488166,473.5784152,205.7930662,1.307806261,3.009570867,2.301236013,4.224271539,3.959912203,7.268697914,0.835570473,5.020209997,7.823463834,6.572015318,32.93681581,9.704162098,16.34440588,18.07766377,8.01949668,12.02718399,4.822135872,6.153177405,0.095724794,0.068412829,0.004766654,5.94E-24,1.43E-66,6.67E-131,5.99E-217,0,0,0,0,0,0,0,0,0,0,0,0,0.42131147,7.823126418,0.50692399,11.83897913,2.788685022,1.105172193,1.385872457,0.505760001,1.609644429,0.115782287,0.132474382,7.40E-04,4.82E-04,3.36E-05,4.18E-26,1.01E-68,4.70E-133,4.22E-219,0,0,0,0,0,0,0,0,0,0,0,0,1.360044705,7.823149673,1.665812494,14.0016981,3.449631013,3.735725229,4.053639738,1.633683763,2.896790904,0.563983417,0.68061873,0.007194147,0.005021115,3.50E-04,4.36E-25,1.05E-67,4.90E-132,4.40E-218,0,0,0,0,0,0,0,0,0,0,0,0,4.738668725,7.823427039,6.172722637,30.8868162,9.015246332,15.24162763,16.79423499,7.415956016,11.09251475,4.352722792,5.543746433,0.085334224,0.060954599,0.004247003,5.29E-24,1.28E-66,5.94E-131,5.34E-217,0,0,0,0,0,0,0,0,0,0,0,0,2.004455641,7.823179182,2.484847251,16.12287527,4.126233332,5.684068886,6.104516514,2.528455541,4.029580797,1.023821197,1.259049073,0.015465271,0.010906532,7.60E-04,9.47E-25,2.29E-67,1.06E-131,9.55E-218,0,0,0,0,0,0,0,0,0,0,0,0,6.062630606,7.823618392,8.082199361,41.38815378,12.5564251,20.62034165,23.12661514,10.41713212,15.82496805,6.766006357,8.683090629,0.13939171,0.099773682,0.006951717,8.66E-24,2.09E-66,9.73E-131,8.74E-217,0,0,0,0,0,0,0,0,0,0,0,0,3.457444913,7.599861973,4.312725741,22.34960461,6.155691548,10.16649555,11.24430237,4.923695317,7.364381168,2.488852504,3.129960569,0.044698438,0.031803485,0.002215903,2.76E-24,6.66E-67,3.10E-131,2.78E-217,0,0,0,0,0,0,0,0,0,0,0,0,3.953262618,1.878818653,0.72933402,0.60250151,0.286343505,0.533605778,0.506382947,0.394753044,6.56141529,11.68099882,23.65951596,0.403752264,1.434741769,3.210871592,1.272428172,0.21718646,0.683093501,0.270701394,0.35189167,0.232314081,0.03495653,4.700486224,5.059315474,10.64713945,0.524640252,0.619162281,3.496011253,1.505455356,0.413971644,0.645563866,0.277993264,0.417207817,0.325192611,0.12707615,5.415438254,7.333554223,14.92776203,0.468345798,0.869476578,3.933871907,1.86299291,0.715965143,0.604018826,0.286049678,0.528377823,0.497894995,0.380402141,6.51282996,11.47912862,23.23910636,0.406028239,1.406674959,3.627138092,1.612564333,0.504433264,0.631450629,0.280732284,0.449118144,0.373097219,0.188728912,5.744135689,8.492073715,17.1866363,0.447175943,1.010944275,4.014321816,1.928648005,0.77142853,0.597867688,0.287240629,0.550237007,0.533574824,0.441677412,6.71439835,12.32679023,25.01375316,0.396801531,1.525489243,3.942802891,1.868342534,0.719970421,0.603695139,0.286067891,0.530781217,0.500746052,0.384682141,6.531115845,11.55035916,23.38514167,0.405542709,1.416209409 +UMLKV0080,L,CIS-2-BUTENE,CC=CC,C4H8,Olefin (alkene) with single C=C double bond,butenes,624-64-6,2.063225818,PubChem,,0.271,0,1.3468,1.81387024,21.7836,12.374344,0,0,12,4,8,0,4,0,0,0,0,0,0,0,0,0,585.184996,529.649067,415.695506,248.233273,78.738912,9.144576,0,0,0,1942.737562,2188.443636,2180.902434,1558.996044,874.9221648,279.7536999,0,0,0,83.909776,79.562604,126.568136,111.51082,83.016576,60.466176,0,0,0,14.71250324,17.27505448,19.38092053,14.80954481,9.348943289,4.001516144,0,0,0,1986.518641,1605.36345,2894.320101,2646.198302,2028.241198,1664.258868,0,0,0,24,28,34,27,18,9,0,0,0,48.76541633,48.14991518,23.09419478,15.51457956,6.561576,1.016064,0,0,0,161.8947969,198.9494215,121.1612463,97.43725273,72.9101804,31.08374443,0,0,0,6.992481333,7.232964,7.031563111,6.96942625,6.918048,6.718464,0,0,0,1.226041937,1.570459498,1.076717807,0.925596551,0.779078607,0.444612905,0,0,0,165.54322,145.9421318,160.7955612,165.3873939,169.0200999,184.917652,0,0,0,2,2.545454545,1.888888889,1.6875,1.5,1,0,0,0,0.031893696,-0.001085686,-0.017541671,-0.005558304,0.001594823,0.00664399,0,0,0,322.8426907,-53.80711511,-80.71067267,-67.25889389,-80.71067267,121.066009,0,0,0,600.3397692,-100.0566282,-150.0849423,-125.0707852,-150.0849423,225.1274134,0,0,0,0.063242667,-0.010540444,-0.015810667,-0.013175556,-0.015810667,0.023716,0,0,0,2.683798093,-0.447299682,-0.670949523,-0.559124603,-0.670949523,1.006424285,0,0,0,14.57843384,-2.429738973,-3.644608459,-3.037173716,-3.644608459,5.466912688,0,0,0,2.666666667,-0.444444444,-0.666666667,-0.555555556,-0.666666667,1,0,0,0,0.002657808,-9.87E-05,-9.75E-04,-3.47E-04,1.33E-04,7.38E-04,0,0,0,26.90355756,-4.891555919,-4.483926259,-4.203680868,-6.725889389,13.45177878,0,0,0,50.0283141,-9.096057109,-8.33805235,-7.816924078,-12.50707852,25.01415705,0,0,0,0.005270222,-9.58E-04,-8.78E-04,-8.23E-04,-0.001317556,0.002635111,0,0,0,0.223649841,-0.040663607,-0.037274974,-0.034945288,-0.05591246,0.111824921,0,0,0,1.214869486,-0.220885361,-0.202478248,-0.189823357,-0.303717372,0.607434743,0,0,0,0.222222222,-0.04040404,-0.037037037,-0.034722222,-0.055555556,0.111111111,0,0,0,-0.03713539,-0.36666956,-0.130706962,0.05000434,0.27775563,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,1.262950796,1.46874977,1.194221328,0.546875344,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,0,11.89,12.11003668,-0.181285491,0.043200545,4.966579476,5.802081888,3,11,10,10,2,1,1,0,0,1,8.745656,3.390710197,2.584509236,1.837979866,0.786375036,0.083923071,0.083923071,0.083923071,0.083923071,1.789553149,1.376366662,0.827698544,0.270263698,0.083923071,0.083923071,0.083923071,0.083923071,3.416060273,2.64365993,1.91709112,0.918327447,0.270913902,0.270913902,0.270913902,0.270913902,1.728563216,1.272632769,0.70580992,0.104477258,0.270913902,0.270913902,0.270913902,0.270913902,3.530445574,2.895090214,2.24378896,1.436958256,0.943918427,0.943918427,0.943918427,0.943918427,1.553819833,0.94329689,0.304605346,0.471112772,0.943918427,0.943918427,0.943918427,0.943918427,3.434896943,2.686833051,1.974314718,1.01227312,0.399277246,0.399277246,0.399277246,0.399277246,1.690101937,1.204479793,0.624663305,0.008036186,0.399277246,0.399277246,0.399277246,0.399277246,3.58776046,3.011439194,2.389604742,1.655137903,1.207644823,1.207644823,1.207644823,1.207644823,1.501028367,0.832901232,0.164472647,0.685039239,1.207644823,1.207644823,1.207644823,1.207644823,3.45057003,2.722232483,2.020893764,1.08777252,0.5,0.5,0.5,0.5,1.661745534,1.152761705,0.562473031,0.095511473,0.5,0.5,0.5,0.5,0,0,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,3.154700538,1.488033872,0.666666667,0.333333333,0,0,0,0,0.788675135,0.496011291,0.333333333,0.333333333,0,0,0,0,6.167311215,11.55134741,10.90196078,11.04,7.194217964,92.11302036,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.50859,20.218,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,2,0,2,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.719444444,0,0,0,0.580555556,0,0.719444444,0,0,0,0,0,0,0,0,4,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0,0,0.290277778,0,0.359722222,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0,0,0.290277778,0,0.359722222,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,2,0.359722222,2,0.290277778,2,2.848,0,0,0,0,0,0,2,0.5,0,0,0.43333,0.7,0.41429,0.41429,0.7,0.01905,0.01905,0,0,0.71429,0,0,0.5,0,0,2.5,0.625,1.5,0.375,1,0.25,-0.5,-0.125,0,0,2.08333,0.52083,2.95465,0.87132,0.21783,1.25,0.3125,1.91421,0.66421,0.16605,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3,0,0,0,0,0,0,0.5,0.918295834,1.79248125,1.79248125,1.79248125,1.361654167,0.5,11.01955001,21.509775,21.509775,21.509775,16.33985,6,0.256152145,0.5,0.5,0.5,0.379823824,0.139471473,2.666666667,1.79248125,1.79248125,1.79248125,2.223308334,3.084962501,0.256152145,0.5,0.5,0.5,0.379823824,0.139471473,6.73287657,11.27796084,11.27796084,11.27796084,6.108035837,0.503912516,15.79950001,14.20150417,14.20150417,14.20150417,9.031579168,3,4,3,4,4,2,4,1.9,0.6292,0.333333333,2.828427125,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,1.71,2,1,0,0,0,0,0,0,0,10,1.609437912,1.609437912,1.098612289,0,0,0,0,0,0,0,2.708050201,1.4,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.666666667,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,0,75.1039385,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,56.06260026,4.671883355,6.871320344,1.717830086,0,0,0,10,1,2.31,10,1.188022038,2.06099507,2.933606223,3.749447485,4.847682429,0,0,0,0,0,66.3683379,55.03850691,54.09790392,28.08532753,4.9255556,0,0,0,0,0,257.7704139,272.6149907,309.5773038,299.6433741,150.6841217,0,0,0,0,0,8.622247915,14.55056875,20.49618703,26.06421303,32.56897988,0,0,0,0,0,1.981927517,2.363914284,2.857813105,3.131186612,2.155342167,0,0,0,0,0,171.5565913,327.0902316,481.5867321,623.7470029,896.4220526,0,0,0,0,0,3.162757417,4.085097461,5.133378701,5.938212825,4.847682429,0,0,0,0,0,0.411982815,0.502678232,0.614581944,0.685117533,0.496402681,0,0,0,0,0,241.7497435,66.78173724,7.962805223,97.86820334,-27.03543154,-6.291798523,143.8815401,93.81716878,14.25460375,0.711828529,0.196637833,0.023446362,0.288171471,-0.079605427,-0.018526107,82.10255153,22.68027649,2.704311561,33.23779828,-9.181717752,-2.136807696,0.204931531,0.330482582,4.719378934,9.208403143,339.6179468,0,1,0,209.2623367,14.46590255,5.936954084,289.6716168,17.01974197,6.61660661,265.0338301,16.27985965,6.423431605,1.680673192,1.399570212,141.8347635,133.3361965,14.89473149,1.063737883,9.522478706,8.951903337,2.710673343,3.204915284,5.281714635,0.648004445,3.391685559,2.07409021,1.614894348,4.186717532,2.314520464,2.127904576,0.434643418,3.116144162,1.625280632,0.017036144,7.82E-23,6.93E-65,1.18E-128,3.90E-214,2.475E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.284648434,2.070747869,0.132577538,2.019226818,0.027770058,0.030498791,0.293727838,0.190794471,0.011447061,1.20E-04,5.51E-25,4.88E-67,8.33E-131,2.74E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.918860951,2.070971275,0.429919869,2.180499132,0.199338017,0.196028437,0.322030814,0.662508496,0.119286601,0.001250357,5.74E-24,5.08E-66,8.68E-130,2.86E-215,1.83E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.201474973,2.073723273,1.522297728,3.954560652,2.070092945,1.906605276,0.425853617,2.892689663,1.448095835,0.015178898,6.97E-23,6.17E-65,1.05E-128,3.47E-214,2.204E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.354227962,2.071260874,0.635588991,2.374689373,0.404766979,0.387629416,0.34159677,1.023562868,0.259106247,0.002715942,1.25E-23,1.10E-65,1.89E-129,6.21E-215,3.95E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.095949746,2.075633117,1.959838774,5.159224608,3.338102855,3.052754548,0.467373228,3.993870633,2.370318804,0.024845615,1.14E-22,1.01E-64,1.73E-128,5.68E-214,3.61E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.69584702,2.071565772,0.797856402,2.574650419,0.615924284,0.582416944,0.357027579,1.328097037,0.406320408,0.004259036,1.96E-23,1.73E-65,2.96E-129,9.74E-215,6.2E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390973636,0.651224252,0.264437623,0.787383475,0.151214156,0.660998033,0.408045094,0.333320199,4.306635511,3.277193473,8.167782428,0.681075213,1.402363326,2.321113434,0.208558391,0.057008582,0.897332901,0.080627816,0.309729747,0.041696454,0.015491576,2.586680407,0.628300687,3.242578246,0.845999352,0.366917778,2.745710612,0.384687471,0.139392664,0.839720589,0.117648957,0.433302883,0.142206491,0.09261791,3.269790747,1.492595,4.90961792,0.759580883,0.668127284,3.36445924,0.640292764,0.259302265,0.789028241,0.150160557,0.650692488,0.394455313,0.320499799,4.264054269,3.192680171,8.015333467,0.683542362,1.3656476,2.935119975,0.463046526,0.176114641,0.821177702,0.129549554,0.495145841,0.206163705,0.147844803,3.574281142,1.957563981,5.771202022,0.731766553,0.84915435,3.473990008,0.685440944,0.28051506,0.782439696,0.154380468,0.693791154,0.452064879,0.375083109,4.439946012,3.547998015,8.655910694,0.673659544,1.520939142,3.361292856,0.638987209,0.258688979,0.789226881,0.150033307,0.649467228,0.392847611,0.31898554,4.258969044,3.182651507,7.997238727,0.683840322,1.361300379 +UMLKV0081,L,TRANS-2-BUTENE,CC=CC,C4H8,Olefin (alkene) with single C=C double bond,butenes,624-64-6,2.063225818,PubChem,,0.2792,0,1.3468,1.81387024,21.7836,12.374344,0,0,12,4,8,0,4,0,0,0,0,0,0,0,0,0,585.184996,529.649067,415.695506,248.233273,78.738912,9.144576,0,0,0,1942.737562,2188.443636,2180.902434,1558.996044,874.9221648,279.7536999,0,0,0,83.909776,79.562604,126.568136,111.51082,83.016576,60.466176,0,0,0,14.71250324,17.27505448,19.38092053,14.80954481,9.348943289,4.001516144,0,0,0,1986.518641,1605.36345,2894.320101,2646.198302,2028.241198,1664.258868,0,0,0,24,28,34,27,18,9,0,0,0,48.76541633,48.14991518,23.09419478,15.51457956,6.561576,1.016064,0,0,0,161.8947969,198.9494215,121.1612463,97.43725273,72.9101804,31.08374443,0,0,0,6.992481333,7.232964,7.031563111,6.96942625,6.918048,6.718464,0,0,0,1.226041937,1.570459498,1.076717807,0.925596551,0.779078607,0.444612905,0,0,0,165.54322,145.9421318,160.7955612,165.3873939,169.0200999,184.917652,0,0,0,2,2.545454545,1.888888889,1.6875,1.5,1,0,0,0,0.031893696,-0.001085686,-0.017541671,-0.005558304,0.001594823,0.00664399,0,0,0,322.8426907,-53.80711511,-80.71067267,-67.25889389,-80.71067267,121.066009,0,0,0,600.3397692,-100.0566282,-150.0849423,-125.0707852,-150.0849423,225.1274134,0,0,0,0.063242667,-0.010540444,-0.015810667,-0.013175556,-0.015810667,0.023716,0,0,0,2.683798093,-0.447299682,-0.670949523,-0.559124603,-0.670949523,1.006424285,0,0,0,14.57843384,-2.429738973,-3.644608459,-3.037173716,-3.644608459,5.466912688,0,0,0,2.666666667,-0.444444444,-0.666666667,-0.555555556,-0.666666667,1,0,0,0,0.002657808,-9.87E-05,-9.75E-04,-3.47E-04,1.33E-04,7.38E-04,0,0,0,26.90355756,-4.891555919,-4.483926259,-4.203680868,-6.725889389,13.45177878,0,0,0,50.0283141,-9.096057109,-8.33805235,-7.816924078,-12.50707852,25.01415705,0,0,0,0.005270222,-9.58E-04,-8.78E-04,-8.23E-04,-0.001317556,0.002635111,0,0,0,0.223649841,-0.040663607,-0.037274974,-0.034945288,-0.05591246,0.111824921,0,0,0,1.214869486,-0.220885361,-0.202478248,-0.189823357,-0.303717372,0.607434743,0,0,0,0.222222222,-0.04040404,-0.037037037,-0.034722222,-0.055555556,0.111111111,0,0,0,-0.03713539,-0.36666956,-0.130706962,0.05000434,0.27775563,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,1.262950796,1.46874977,1.194221328,0.546875344,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,0,11.89,12.11003668,-0.181285491,0.043200545,4.966579476,5.802081888,3,11,10,10,2,1,1,0,0,1,8.745656,3.390710197,2.584509236,1.837979866,0.786375036,0.083923071,0.083923071,0.083923071,0.083923071,1.789553149,1.376366662,0.827698544,0.270263698,0.083923071,0.083923071,0.083923071,0.083923071,3.416060273,2.64365993,1.91709112,0.918327447,0.270913902,0.270913902,0.270913902,0.270913902,1.728563216,1.272632769,0.70580992,0.104477258,0.270913902,0.270913902,0.270913902,0.270913902,3.530445574,2.895090214,2.24378896,1.436958256,0.943918427,0.943918427,0.943918427,0.943918427,1.553819833,0.94329689,0.304605346,0.471112772,0.943918427,0.943918427,0.943918427,0.943918427,3.434896943,2.686833051,1.974314718,1.01227312,0.399277246,0.399277246,0.399277246,0.399277246,1.690101937,1.204479793,0.624663305,0.008036186,0.399277246,0.399277246,0.399277246,0.399277246,3.58776046,3.011439194,2.389604742,1.655137903,1.207644823,1.207644823,1.207644823,1.207644823,1.501028367,0.832901232,0.164472647,0.685039239,1.207644823,1.207644823,1.207644823,1.207644823,3.45057003,2.722232483,2.020893764,1.08777252,0.5,0.5,0.5,0.5,1.661745534,1.152761705,0.562473031,0.095511473,0.5,0.5,0.5,0.5,0,0,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,3.154700538,1.488033872,0.666666667,0.333333333,0,0,0,0,0.788675135,0.496011291,0.333333333,0.333333333,0,0,0,0,6.167311215,11.55134741,10.90196078,11.04,7.194217964,92.11302036,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.50859,20.218,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,2,0,2,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.719444444,0,0,0,0.580555556,0,0.719444444,0,0,0,0,0,0,0,0,4,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0,0,0.290277778,0,0.359722222,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0,0,0.290277778,0,0.359722222,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,2,0.359722222,2,0.290277778,2,2.848,0,0,0,0,0,0,2,0.5,0,0,0.43333,0.7,0.41429,0.41429,0.7,0.01905,0.01905,0,0,0.71429,0,0,0.5,0,0,2.5,0.625,1.5,0.375,1,0.25,-0.5,-0.125,0,0,2.08333,0.52083,2.95465,0.87132,0.21783,1.25,0.3125,1.91421,0.66421,0.16605,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3,0,0,0,0,0,0,0.5,0.918295834,1.79248125,1.79248125,1.79248125,1.361654167,0.5,11.01955001,21.509775,21.509775,21.509775,16.33985,6,0.256152145,0.5,0.5,0.5,0.379823824,0.139471473,2.666666667,1.79248125,1.79248125,1.79248125,2.223308334,3.084962501,0.256152145,0.5,0.5,0.5,0.379823824,0.139471473,6.73287657,11.27796084,11.27796084,11.27796084,6.108035837,0.503912516,15.79950001,14.20150417,14.20150417,14.20150417,9.031579168,3,4,3,4,4,2,4,1.9,0.6292,0.333333333,2.828427125,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,1.71,2,1,0,0,0,0,0,0,0,10,1.609437912,1.609437912,1.098612289,0,0,0,0,0,0,0,2.708050201,1.4,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.666666667,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,0,75.1039385,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,56.06260026,4.671883355,6.871320344,1.717830086,0,0,0,10,1,2.31,10,1.188021786,2.060996171,2.933606098,3.749490338,4.84770624,0,0,0,0,0,66.36844071,55.03871539,54.0987089,28.0856862,4.925579793,0,0,0,0,0,257.7706324,272.6155545,309.5795819,299.6470829,150.6848618,0,0,0,0,0,8.622246463,14.5505771,20.49619129,26.06451228,32.56913986,0,0,0,0,0,1.981928579,2.363917815,2.857826923,3.131224672,2.155352753,0,0,0,0,0,171.5565317,327.0903709,481.5863432,623.7540238,896.4264557,0,0,0,0,0,3.162758516,4.08510235,5.133396536,5.938284091,4.84770624,0,0,0,0,0,0.411983013,0.502678937,0.614584663,0.685125831,0.496405119,0,0,0,0,0,241.6170112,66.74507084,7.951383386,98.71731693,-27.26999345,-6.338552759,142.8996943,94.01506429,14.28993614,0.709940171,0.196116187,0.023363448,0.290059829,-0.080127073,-0.018624488,82.23056317,22.71563884,2.706128722,33.59689173,-9.280914898,-2.157227094,0.204931531,0.330482582,4.664976871,9.208403143,340.3343281,0,1,0,209.2646037,14.46598091,5.936975523,289.6740651,17.0198139,6.616625251,265.0351728,16.27990088,6.423442453,1.80208258,1.502021525,141.8376257,133.3402505,14.89372159,1.063727008,9.523316577,8.952782534,2.710665562,3.204925005,5.281752537,0.648011273,3.391740695,2.073992534,1.615441695,4.187231852,2.315116507,2.128444222,0.435169142,3.115455529,1.625781595,0.017070721,7.87E-23,7.00E-65,1.20E-128,3.98E-214,2.54E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.284653111,2.07065016,0.132623457,2.019171028,0.027768571,0.030488471,0.29428421,0.19075497,0.01145059,1.20E-04,5.55E-25,4.93E-67,8.47E-131,2.80E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.918875927,2.070873568,0.43006811,2.180481463,0.199367159,0.196031768,0.322581826,0.66236893,0.11932337,0.001252894,5.78E-24,5.14E-66,8.82E-130,2.92E-215,1.9E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.201527019,2.073625593,1.522814367,3.955012387,2.070620094,1.907076369,0.426381534,2.892052245,1.448542185,0.015209705,7.02E-23,6.24E-65,1.07E-128,3.54E-214,2.263E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.354250008,2.07116317,0.635807483,2.374721107,0.404844266,0.387671397,0.342143836,1.02334498,0.259186114,0.002721454,1.26E-23,1.12E-65,1.92E-129,6.34E-215,4.05E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.096016319,2.075535456,1.960499827,5.16000208,3.338990669,3.053587624,0.467890471,3.992979347,2.371049411,0.024896042,1.15E-22,1.02E-64,1.75E-128,5.80E-214,3.7E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.695874614,2.071468071,0.798130021,2.574734162,0.616054809,0.582505942,0.357571397,1.327812201,0.406445651,0.00426768,1.97E-23,1.75E-65,3.00E-129,9.94E-215,6.32E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.391034761,0.651200838,0.26444514,0.7873894,0.151207131,0.660999013,0.408037292,0.333320468,4.306680739,3.277194237,8.167834549,0.681084099,1.402356774,2.321184114,0.208538762,0.057010203,0.897341954,0.080618585,0.309737506,0.041691246,0.015491589,2.586733078,0.628276874,3.242606131,0.846012931,0.366920341,2.745778217,0.384665617,0.139396627,0.839728497,0.117640485,0.433309149,0.14219841,0.092617985,3.269840461,1.492579784,4.909651864,0.759592746,0.668125544,3.364520665,0.64026938,0.259309636,0.789034243,0.150153474,0.650693761,0.394447355,0.320500058,4.264099681,3.192680209,8.015384593,0.683551365,1.365641173,2.93518587,0.463024021,0.176119647,0.821185019,0.129541503,0.495150946,0.206155016,0.147844923,3.574329538,1.957553091,5.771240072,0.731777529,0.849150885,3.474050181,0.685417449,0.280523034,0.78244538,0.154373624,0.693791174,0.452057662,0.375083411,4.439990663,3.54800109,8.65596608,0.67366807,1.520932248,3.361354317,0.638963829,0.258696333,0.789232893,0.150026217,0.649468535,0.392839635,0.318985798,4.259014478,3.182651459,7.997289736,0.683849339,1.361293968 +UMLKV0082,L,ISOBUTENE,CC(=C)C,C4H8,Olefin (alkene) with single C=C double bond,Olefins,0115-11-7,2.045374132,PubChem,,0.2557,0,1.7959,3.22525681,19.9313,12.374344,0,0,12,4,8,0,4,0,0,0,0,0,0,0,0,0,585.184996,529.649067,536.761515,193.713408,21.337344,0,0,0,0,1942.737562,2188.443636,2406.029847,1835.785862,652.758633,0,0,0,0,83.909776,79.562604,126.591852,113.882112,141.087744,0,0,0,0,14.71250324,17.27505448,20.38734481,17.81670896,9.336871002,0,0,0,0,1986.518641,1605.36345,2899.787014,2449.960763,3883.270693,0,0,0,0,27.77777778,29.66666667,36.33333333,38,21,0,0,0,0,48.76541633,48.14991518,29.82008417,12.107088,1.016064,0,0,0,0,161.8947969,198.9494215,133.6683248,114.7366164,31.08374443,0,0,0,0,6.992481333,7.232964,7.032880667,7.117632,6.718464,0,0,0,0,1.226041937,1.570459498,1.132630267,1.11354431,0.444612905,0,0,0,0,165.54322,145.9421318,161.0992786,153.1225477,184.917652,0,0,0,0,2.314814815,2.696969697,2.018518519,2.375,1,0,0,0,0,0.030991446,-0.002359283,-0.004277981,-0.033202054,0.024343595,0,0,0,0,322.8426907,-53.80711511,40.35533633,-430.4569209,282.4873543,0,0,0,0,600.3397692,-100.0566282,75.04247115,-800.4530256,525.297298,0,0,0,0,0.063242667,-0.010540444,0.007905333,-0.084323556,0.055337333,0,0,0,0,2.683798093,-0.447299682,0.335474762,-3.578397457,2.348323331,0,0,0,0,14.57843384,-2.429738973,1.822304229,-19.43791178,12.75612961,0,0,0,0,4.62962963,-1.891975309,2.537037037,-6.135802469,3.175925926,0,0,0,0,0.00258262,-2.14E-04,-2.38E-04,-0.002075128,0.001159219,0,0,0,0,26.90355756,-4.891555919,2.24196313,-26.90355756,13.45177878,0,0,0,0,50.0283141,-9.096057109,4.169026175,-50.0283141,25.01415705,0,0,0,0,0.005270222,-9.58E-04,4.39E-04,-0.005270222,0.002635111,0,0,0,0,0.223649841,-0.040663607,0.018637487,-0.223649841,0.111824921,0,0,0,0,1.214869486,-0.220885361,0.101239124,-1.214869486,0.607434743,0,0,0,0,0.385802469,-0.171997755,0.140946502,-0.383487654,0.151234568,0,0,0,0,-0.08304755,-0.092024978,-0.803497227,0.448853728,0,0,0,0,-0.181818182,0.083333333,-1,0.5,0,0,0,0,-0.181818182,0.083333333,-1,0.5,0,0,0,0,-0.181818182,0.083333333,-1,0.5,0,0,0,0,-0.181818182,0.083333333,-1,0.5,0,0,0,0,-0.181818182,0.083333333,-1,0.5,0,0,0,0,-0.445818182,0.365333333,-0.994,0.392,0,0,0,0,1.30972814,1.14532262,1.84606767,0.068576218,0,0,0,0,1.5,0.916666667,2.0625,0,0,0,0,0,1.5,0.916666667,2.0625,0,0,0,0,0,1.5,0.916666667,2.0625,0,0,0,0,0,1.5,0.916666667,2.0625,0,0,0,0,0,1.5,0.916666667,2.0625,0,0,0,0,0,1.728,0.366666667,2.5245,0,0,0,0,0,7.793634172,3.896817086,5.896817086,7.793634172,1.948408543,3.936863538,-3.55E-15,3.33E-16,8.33E-17,-14.25527531,3000000,750000,5.965649139,7.793634172,3.896817086,5.896817086,7.793634172,1.948408543,3.936863538,-3.55E-15,3.33E-16,8.33E-17,-14.25527531,3000000,750000,5.965649139,7.793634172,3.896817086,5.896817086,7.793634172,1.948408543,3.936863538,-3.55E-15,3.33E-16,8.33E-17,-14.25527531,3000000,750000,5.965649139,7.793634172,3.896817086,5.896817086,7.793634172,1.948408543,3.936863538,-3.55E-15,3.33E-16,8.33E-17,-14.25527531,3000000,750000,5.965649139,7.793634172,3.896817086,5.896817086,7.793634172,1.948408543,3.936863538,-3.55E-15,3.33E-16,8.33E-17,-14.25527531,3000000,750000,5.965649139,7.793634172,3.896817086,5.896817086,7.793634172,1.948408543,3.936863538,-3.55E-15,3.33E-16,8.33E-17,-14.25527531,3000000,750000,5.965649139,10.44326942,5.127190264,8.027190264,10.34882497,2.587206243,5.137776859,-0.188888889,4.44E-16,1.11E-16,-14.14020248,3000000,750000,5.965649139,0,11.89,12.11003668,-0.175211978,0.048163253,5.170485502,6.438700976,3,11,10,10,2,1,1,0,0,1,8.745656,3.417779093,2.333552793,2.177449163,0.445466638,0.083923071,0.083923071,0.083923071,0.083923071,1.801470179,1.249629723,1.071378574,0.083923071,0.083923071,0.083923071,0.083923071,0.083923071,3.441695656,2.405454588,2.245955528,0.553459384,0.270913902,0.270913902,0.270913902,0.270913902,1.741956594,1.134540686,0.957326171,0.270913902,0.270913902,0.270913902,0.270913902,0.270913902,3.550525881,2.704236987,2.534438742,0.964953215,0.943918427,0.943918427,0.943918427,0.943918427,1.572933989,0.76031856,0.589146996,0.943918427,0.943918427,0.943918427,0.943918427,0.943918427,3.459516898,2.457539916,2.295828005,0.629676249,0.399277246,0.399277246,0.399277246,0.399277246,1.704550832,1.058262671,0.881915828,0.399277246,0.399277246,0.399277246,0.399277246,0.399277246,3.605564034,2.838982085,2.666122083,1.207644823,1.207644823,1.207644823,1.207644823,1.207644823,1.522402274,0.631337262,0.463559251,1.129565053,1.207644823,1.207644823,1.207644823,1.207644823,3.46928809,2.439664106,2.426137258,0.579314801,0.461538462,0.461538462,0.461538462,0.461538462,1.720642959,1.055048722,0.75409719,0.461538462,0.461538462,0.461538462,0.461538462,0.461538462,0,0,1,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.577350269,0,0,0,0.353553391,0,0,0,0,0,0,0,0,0,3.577350269,1.732050808,1.732050808,0,0,0,0,0,0.894337567,0.577350269,0.577350269,0,0,0,0,0,3.207106781,1.353553391,1.207106781,0,0,0,0,0,0.801776695,0.451184464,0.402368927,0,0,0,0,0,6.167311215,11.55134741,10.90196078,11.04,7.194217964,92.11302036,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.50859,20.218,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,2,0,1,0,0,0,0,0,0,0,0,2,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.722222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.394444444,0,0,0,0,0.580555556,0,0.394444444,0,0,0,0,0,0,0,0,3.944444444,3.555555556,0,0,0,0,0,0,0,1.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.394444444,0,0,0,0,0.290277778,0,0.394444444,0,0,0,0,0,0,0,0,1.972222222,3.555555556,0,0,0,0,0,0,0,1.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.394444444,0,0,0,0,0.290277778,0,0.394444444,0,0,0,0,0,0,0,0,1.972222222,3.555555556,0,0,0,0,0,0,0,1.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.666666667,2.166666667,0.394444444,3.555555556,0.125,1.166666667,2.670166667,0.5,0.555555556,1.111111111,0.5,0.555555556,1.111111111,2,0.5,0,0,0.43333,0.7,0.41429,0.41429,0.7,0.01905,0.01905,0,0,0.71429,0,0,0.75,0.25,0,2.5,0.625,1.5,0.375,1,0.25,-0.5,-0.125,0,0,2.22997,0.55749,3.23204,1.00207,0.25052,1.15262,0.28816,1.73204,0.57942,0.14485,0.18196,0.04549,0.18196,0.04549,0,3,0,0,0,0,0,0,0.5,0.918295834,1.959147917,1.959147917,1.660401042,0.930827083,0,11.01955001,23.509775,23.509775,19.9248125,11.169925,0,0.256152145,0.546490491,0.546490491,0.463157158,0.259647649,0,2.666666667,1.625814584,1.625814584,1.924561459,2.654135417,3.584962501,0.256152145,0.546490491,0.546490491,0.463157158,0.259647649,0,6.73287657,13.27796084,13.27796084,9.692998337,0.938110835,0,15.79950001,12.61654167,12.61654167,10.82406042,3.861654167,0,4,1.333333333,0,4,2,3,1.9,0.6292,1.5,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.104,0.088,0.143,0.175,1.64,3,0,0,0,0,0,0,0,0,10,1.609437912,1.791759469,0,0,0,0,0,0,0,0,2.63905733,1.3,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.666666667,0,1,2,1,1.5,0,0,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0.5,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,0,75.1039385,3,2.564949357,2.944438979,3.610917913,4.007333185,4.691347882,5.093750201,5.783825182,6.188264123,6.880384082,48.76521091,1.945910149,0,2.944438979,0,4.007333185,0,5.093750201,0,6.188264123,6.59441346,56.06260026,4.671883355,6.732050808,1.683012702,0,0,0,9,0,1.848,12,1.201,2.076976271,3.021141736,3.480297976,0,0,0,0,0,0,66.57444086,72.28188996,36.57722886,3.536205483,0,0,0,0,0,0,259.3738959,307.1205549,346.6355804,108.1806928,0,0,0,0,0,0,8.714776996,14.67374733,21.5033751,23.38225666,0,0,0,0,0,0,1.996999943,2.532293861,3.36417519,1.547385393,0,0,0,0,0,0,173.5340527,329.8117746,462.6049196,643.5685302,0,0,0,0,0,0,3.329727273,4.50641209,7.155610188,3.480297976,0,0,0,0,0,0,0.415217045,0.534404512,0.725074017,0.356382513,0,0,0,0,0,0,297.4088169,80.7044178,10.29514894,198.9756178,-53.9937301,-13.61405802,98.43319915,134.6981479,23.90920696,0.599150167,0.162584505,0.020740273,0.400849833,-0.108774019,-0.02742644,147.6291075,40.06041681,5.110351685,98.76839955,-26.80164719,-6.757806496,0.196872567,0.368415768,8.649475721,18.01650845,496.3844347,0,1,0,209.0698711,14.45924863,5.935133387,286.9907843,16.94080235,6.596131681,278.2231525,16.68002256,6.528264706,1.147136523,1.06881013,107.8986822,60.36373164,54.27664755,1.787475348,1.987939327,1.112149227,2.815253362,2.129213644,4.243186359,0.992841992,2.394532774,2.068489096,2.409037391,5.911907993,0.152891646,4.784412781,1.354729841,0.001367507,1.33E-25,2.51E-69,9.11E-135,6.38E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.200967251,2.068367236,0.145123786,2.741582239,0.012712684,0.2665888,0.009541473,9.63E-06,9.39E-28,1.77E-71,6.42E-137,4.49E-224,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.648720739,2.068375646,0.506069161,3.161768657,0.04111614,0.949492878,0.099429506,1.00E-04,9.79E-27,1.84E-70,6.69E-136,4.68E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.260244265,2.068475811,2.234652457,5.63753742,0.144235679,4.423185456,1.207039899,0.001218424,1.19E-25,2.24E-69,8.12E-135,5.68E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.956089472,2.068386308,0.783885617,3.517598027,0.060676593,1.489332337,0.215974173,2.18E-04,2.13E-26,4.00E-70,1.45E-135,1.02E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.891742681,2.068544896,3.095342903,7.018936888,0.185025173,6.217987985,1.975746154,0.00199438,1.95E-25,3.66E-69,1.33E-134,9.30E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.173774329,1.493599869,0.749897387,4.229753665,0.085014717,1.696710257,0.288581505,2.91E-04,2.84E-26,5.35E-70,1.94E-135,1.36E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.744629015,1.476722198,0.278723025,0.49845486,0.421911679,0.629968717,0.474994414,0.333333333,3.500074238,3.474197149,7.692354545,0.380549809,1.438296464,1.016466349,0.918303278,0.060088289,0.509543232,0.46033518,0.213844858,0.183680547,0.015492187,1.994857916,1.049681377,3.100627166,0.454817618,0.413017593,1.305668925,1.140089147,0.146922909,0.503597988,0.439733679,0.352840913,0.283118676,0.09262156,2.592680982,1.847916863,4.659304198,0.4149975,0.728581149,1.726601759,1.462897319,0.273310245,0.498613004,0.42245968,0.617017042,0.466142374,0.320512428,3.462809323,3.397563859,7.550711427,0.381609026,1.403671844,1.434578416,1.238948238,0.185628674,0.501749031,0.433326663,0.425952711,0.334346838,0.147850629,2.859155328,2.273651608,5.462737475,0.402613542,0.908150177,1.80106754,1.520004204,0.295668994,0.497980826,0.420269053,0.671386802,0.503246164,0.375097889,3.616740738,3.719568175,8.14574129,0.377374818,1.549730856,1.72008422,1.469045734,0.27217584,0.496946622,0.424419517,0.612367629,0.47006891,0.317857304,3.461305794,3.394886509,7.543948638,0.382049208,1.400293843 +UMLKV0083,L,1-HEXENE,CCCCC=C,C6H12,Olefin (alkene) with single C=C double bond,Olefins,592-41-6,2.471411873,PubChem,,0.3423,0,0.4384,0.19219456,26.3209,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,814.203604,644.794923,450.070322,253.313593,67.647888,6.096384,0,2914.106344,3494.423905,4091.649529,3665.843967,2721.213111,1714.414766,791.2692929,186.5024666,0,125.864664,123.114164,212.42632,257.436012,207.98804,145.10314,82.617408,40.310784,0,22.06875486,27.30703172,35.42523222,34.18644125,26.0541382,17.03260934,8.680011884,2.667677429,0,2979.777961,2471.442353,4710.929395,6158.861568,5049.741717,3570.786562,2060.036303,1109.505912,0,35.75,39.5,52.75,57.5,47.5,35,20,6,0,48.76541633,50.97680359,27.14012013,17.42688981,15.00234407,12.06255205,5.637324,1.016064,0,161.8947969,205.5543474,136.3883176,99.07686397,90.70710369,81.63879838,65.93910774,31.08374443,0,6.992481333,7.242009647,7.080877333,6.957730054,6.932934667,6.909673333,6.884784,6.718464,0,1.226041937,1.606295984,1.180841074,0.923957872,0.868471273,0.811076635,0.723334324,0.444612905,0,165.54322,145.3789619,157.0309798,166.4557181,168.3247239,170.0374553,171.6696919,184.917652,0,1.986111111,2.323529412,1.758333333,1.554054054,1.583333333,1.666666667,1.666666667,1,0,0.045054579,-0.007629605,-0.020787935,0.001772882,0.002983004,-0.001672888,-0.004523679,0.00733093,0,484.264036,-53.80711511,-201.7766817,-26.90355756,-2.45E-13,-1.88E-13,-40.35533633,80.71067267,0,900.5096538,-100.0566282,-375.2123557,-50.0283141,-1.49E-13,-9.24E-14,-75.04247115,150.0849423,0,0.094864,-0.010540444,-0.039526667,-0.005270222,-4.52E-16,-4.59E-16,-0.007905333,0.015810667,0,4.025697139,-0.447299682,-1.677373808,-0.223649841,-1.11E-15,-1.11E-15,-0.335474762,0.670949523,0,21.86765075,-2.429738973,-9.111521147,-1.214869486,-2.40E-14,-2.49E-14,-1.822304229,3.644608459,0,5.069444444,-0.718364198,-1.212962963,-0.198302469,0.064814815,0.293981481,-1.324074074,0.560185185,0,0.002503032,-4.49E-04,-6.93E-04,4.79E-05,9.94E-05,-7.97E-05,-3.77E-04,0.001221822,0,26.90355756,-3.165124418,-6.725889389,-0.727123177,-8.17E-15,-8.97E-15,-3.362944694,13.45177878,0,50.0283141,-5.885684011,-12.50707852,-1.352116597,-4.97E-15,-4.40E-15,-6.253539262,25.01415705,0,0.005270222,-6.20E-04,-0.001317556,-1.42E-04,-1.51E-17,-2.18E-17,-6.59E-04,0.002635111,0,0.223649841,-0.026311746,-0.05591246,-0.00604459,-3.70E-17,-5.29E-17,-0.02795623,0.111824921,0,1.214869486,-0.142925822,-0.303717372,-0.03283431,-7.99E-16,-1.18E-15,-0.151858686,0.607434743,0,0.281635802,-0.042256718,-0.040432099,-0.005359526,0.002160494,0.013999118,-0.110339506,0.093364198,0,-0.179302651,-0.276836696,0.019143074,0.039725209,-0.031825925,-0.150606618,0.488136632,0,-0.117647059,-0.25,-0.027027027,-3.04E-16,-3.33E-16,-0.125,0.5,0,-0.117647059,-0.25,-0.027027027,-9.94E-17,-8.79E-17,-0.125,0.5,0,-0.117647059,-0.25,-0.027027027,-2.86E-15,-4.15E-15,-0.125,0.5,0,-0.117647059,-0.25,-0.027027027,-1.65E-16,-2.36E-16,-0.125,0.5,0,-0.117647059,-0.25,-0.027027027,-6.58E-16,-9.75E-16,-0.125,0.5,0,-0.15004029,-0.143561644,-0.019029989,0.007671233,0.049706458,-0.391780822,0.331506849,0,1.455868032,1.214631295,0.775218228,0.819205292,1.052855322,1.284161349,0.172028906,0,1.5,1.345833333,0.918918919,0.85,0.80952381,0.885416667,0,0,1.5,1.345833333,0.918918919,0.85,0.80952381,0.885416667,0,0,1.5,1.345833333,0.918918919,0.85,0.80952381,0.885416667,0,0,1.5,1.345833333,0.918918919,0.85,0.80952381,0.885416667,0,0,1.5,1.345833333,0.918918919,0.85,0.80952381,0.885416667,0,0,1.479452055,0.880273973,0.781710478,0.880273973,1.077886497,1.956164384,0,0,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,31.27682875,15.44396993,25.9887257,31.01756949,5.169594915,15.44397043,-0.388888889,0.124574688,0.020762448,-1.249709906,18.41195241,3.068658735,1.747800025,0,11.79,12.21003864,-0.306948088,0.113259644,5.043588996,6.867641906,5,17,16,16,4,1,1,0,0,1,13.118484,3.458920783,3.081433849,2.474593995,1.798301595,1.270833524,0.912162299,0.083923071,0.083923071,1.871067874,1.601124015,1.234242683,0.85315218,0.583297216,0.349823653,0.083923071,0.083923071,3.486242029,3.116946261,2.529913706,1.881474931,1.383461819,1.040132512,0.270913902,0.270913902,1.810042582,1.526761479,1.132871809,0.722633833,0.431818797,0.188559346,0.270913902,0.270913902,3.607337672,3.272942385,2.768036719,2.228163834,1.833651535,1.54162827,0.943918427,0.943918427,1.63167727,1.303946671,0.814188514,0.293094176,0.085189605,0.369467173,0.943918427,0.943918427,3.506424851,3.143118662,2.570467833,1.941863518,1.464075869,1.131075451,0.399277246,0.399277246,1.771268192,1.479012186,1.066499307,0.635696325,0.329627854,0.079258848,0.399277246,0.399277246,3.6667978,3.348444081,2.879665477,2.383968123,2.026932228,1.752709359,1.207644823,1.207644823,1.576518823,1.233500967,0.70872011,0.14362648,0.273414305,0.576303946,1.207644823,1.207644823,3.56331855,3.201166553,2.622093931,1.974529291,1.501563956,1.238745386,0.52173913,0.52173913,1.825286888,1.397650368,0.953927062,0.566776652,0.26877056,0.041428646,0.52173913,0.52173913,0,0,1,1,0,1,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.405777394,2.523603362,1.43090366,0.761801681,0.348461713,0.144337567,0,0,0.734296232,0.504720672,0.357725915,0.253933894,0.174230856,0.144337567,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,4,1,0,2,0,0,0,0,0,0,0,0,1,1,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.56,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.389652778,0.334097222,0,0,0.97625,0.290277778,0,0.72375,0,0,0,0,0,0,0,0,2.184027778,3.598194444,3.755972222,0,1.961805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.961805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.389652778,0.334097222,0,0,0.216944444,0.290277778,0,0.334097222,0,0,0,0,0,0,0,0,2.184027778,3.598194444,1.177083333,0,1.961805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.598194444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.389652778,0.334097222,0,0,0.290277778,0.290277778,0,0.389652778,0,0,0,0,0,0,0,0,2.184027778,3.598194444,1.295138889,0,1.961805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.5,1.916666667,0.389652778,3.598194444,0.216944444,1.177083333,4.44741,0.322916667,0.598194444,1.564444444,0.322916667,0.598194444,1.564444444,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.33333,0,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.16595,0.69433,5.31294,1.14699,0.19117,2.34933,0.39156,2.91421,0.56488,0.09415,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.209690973,3.239097918,3.350209029,3.46132014,2.99799514,16.52932501,39.77443751,58.30376252,60.30376252,62.30376252,53.96391252,0.220218789,0.529911443,0.776776061,0.803421891,0.83006772,0.718956609,3.251629167,1.960234029,0.930827083,0.819715972,0.708604861,1.171929861,0.220218789,0.529911443,0.776776061,0.803421891,0.83006772,0.718956609,6.73287657,16.28447751,18.54329237,17.43392015,18.76725349,13.20735349,23.69925001,15.57894792,13.20167153,14.12832153,12.68170487,9.901754865,6,5,5.333333333,6,2,6,2.12,0.911,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,2.661,4,3,2,1,0,0,0,0,0,21,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,0,3.295836866,1.238095238,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.6,4,0.8,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,109.6959078,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,84.09390038,4.671883355,10.83915043,1.806525072,0,0,0,35,3,3.388,18,1.219,2.124655496,2.87026109,3.599440952,4.930369098,5.978086629,7.169405074,0,0,0,72.30904117,64.6414684,60.43324486,69.47631059,69.63408749,36.88897661,7.284574397,0,0,0,274.3286679,309.9824628,311.5229656,381.2510511,437.4092892,418.2391145,222.851955,0,0,0,8.860546952,15.09132023,20.02155858,25.12134335,34.17003774,41.27259223,48.16738989,0,0,0,2.086978642,2.633030145,2.809776862,3.492366966,4.229824878,4.516466754,3.187610016,0,0,0,175.1912326,330.2480674,474.2540474,593.2629008,830.6054913,1017.115495,1325.749553,0,0,0,2.908147059,3.848892297,4.616597368,6.181134853,8.642988481,10.40297177,7.169405074,0,0,0,0.432999265,0.557556943,0.602581451,0.750469978,0.917494976,0.994458414,0.73414708,0,0,0,354.9261424,141.8046153,11.60283628,172.2757127,-68.82978805,-11.96992996,182.6504297,210.6344033,23.57276624,0.673226278,0.268975941,0.022008337,0.326773722,-0.130556802,-0.022704643,187.1177207,74.75965623,6.117036813,90.82407533,-36.28719195,-6.310569281,0.141740147,0.256876213,2.925498362,6.672767062,527.2018551,0,1,0,331.0578085,18.19499405,6.917799096,447.9391783,21.16457366,7.651378443,470.406918,21.68886622,7.777223265,2.274474557,2.274474557,418.6850913,400.7989294,31.24470959,1.044626271,13.40019148,12.82773739,3.603042686,4.466158665,7.71775273,0.728051623,3.591793317,3.914879446,2.830842966,12.94577407,6.43685253,1.02735528,4.032441475,9.057111411,3.896184515,0.529466082,1.534601771,1.598253814,1.550431541,0.017449186,6.94E-04,5.32E-27,7.87E-72,2.25E-138,1.24E-226,0,0,0,0,0,0,0,0,0,0,0,0.301445031,3.914691945,0.184264475,3.920421939,0.048232772,0.084788813,0.413582797,0.242875725,1.712715599,0.036822613,0.100186293,0.085980945,0.074062434,1.23E-04,4.89E-06,3.75E-29,5.55E-74,1.58E-140,8.71E-229,0,0,0,0,0,0,0,0,0,0,0,0.973075264,3.914704874,0.629954714,4.640094862,0.479872777,0.267503382,1.143307203,1.124846654,2.071706289,0.123883519,0.317375688,0.309023168,0.276018499,0.001280673,5.09E-05,3.91E-28,5.78E-73,1.65E-139,9.07E-228,0,0,0,0,0,0,0,0,0,0,0,3.390360553,3.914859001,2.635378735,11.99611196,5.737114814,0.966226391,3.807727152,8.193034361,3.731841864,0.494531611,1.420041203,1.47537522,1.424884026,0.015546911,6.18E-04,4.74E-27,7.01E-72,2.00E-138,1.10E-226,0,0,0,0,0,0,0,0,0,0,0,1.434128364,3.914721275,0.963975853,5.467449117,1.035217733,0.395806391,1.646901076,2.002628451,2.343885722,0.187655976,0.488918203,0.487564408,0.444169621,0.002781791,1.11E-04,8.48E-28,1.26E-72,3.58E-139,1.97E-227,0,0,0,0,0,0,0,0,0,0,0,4.337608177,3.914965322,3.592530585,16.91286411,9.378093652,1.257577606,4.868057209,12.62481777,4.539497412,0.664234574,1.989136839,2.087619419,2.055204989,0.025447997,0.001011965,7.76E-27,1.15E-71,3.28E-138,1.80E-226,0,0,0,0,0,0,0,0,0,0,0,1.924005911,2.866946517,1.343660624,5.894278932,1.764854296,0.413376995,2.601724555,2.782704901,3.021492797,0.261302446,0.801108213,0.699301204,0.689686057,0.004749875,1.89E-04,1.45E-27,2.14E-72,6.12E-139,3.37E-227,0,0,0,0,0,0,0,0,0,0,0,5.449928347,0.787710856,0.368189675,0.825018094,0.119244817,0.517053894,0.554548115,0.444431505,6.605828877,6.589602072,14.77605734,0.73752714,1.516033514,4.731882475,0.292070363,0.079375888,0.927214908,0.057231344,0.389995847,0.076041412,0.020655648,5.103328726,1.780823348,6.993852935,0.890822362,0.486692906,5.016769728,0.489219939,0.194083349,0.880123766,0.08582696,0.43822327,0.213779667,0.123491818,5.700073016,3.522924699,9.699337214,0.820185648,0.775494755,5.432122407,0.775469341,0.361039459,0.826979356,0.118056459,0.513682047,0.537462632,0.427337463,6.568631207,6.45362995,14.5431198,0.740469034,1.478482142,5.143884527,0.576968795,0.245213186,0.862190276,0.096708408,0.460667106,0.297484712,0.197128432,5.966066509,4.370689531,11.06451466,0.793285413,0.955280251,5.505683066,0.826026695,0.390575091,0.819019602,0.122878859,0.527684987,0.609732648,0.500115958,6.722284852,7.020849302,15.51940764,0.728529403,1.637533592,5.475525829,0.773681135,0.360548002,0.828400728,0.117051409,0.521923309,0.53498316,0.426174847,6.609754966,6.489450124,14.62659857,0.742601093,1.483081316 +UMLKV0084,L,CIS-2-HEXENE,CCCC=CC,C6H12,Olefin (alkene) with single C=C double bond,hexenes,7688-21-3,2.471411873,PubChem,,0.3626,0,0.9262,0.85784644,29.3132,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,803.11258,630.655707,447.02213,264.404617,81.787104,9.144576,0,2914.106344,3494.423905,4007.996657,3488.939862,2627.961878,1798.067638,968.1733981,279.7536999,0,125.864664,123.114164,212.027152,236.881452,187.832648,145.502308,103.171968,60.466176,0,22.06875486,27.30703172,34.75630082,32.18367113,24.72029948,17.70154074,10.682782,4.001516144,0,2979.777961,2471.442353,4742.724499,5635.903716,4494.988761,3538.991458,2582.994154,1664.258868,0,32.5,38.25,53,53.5,42,31.5,21,9,0,48.76541633,50.97680359,26.77041933,18.54869726,16.55637519,12.59069605,5.4524736,1.016064,0,161.8947969,205.5543474,133.5998886,102.6158783,97.33192139,85.62226847,64.54489321,31.08374443,0,6.992481333,7.242009647,7.067571733,6.967101529,6.956764741,6.928681333,6.8781312,6.718464,0,1.226041937,1.606295984,1.158543361,0.946578563,0.915566648,0.842930512,0.712185467,0.444612905,0,165.54322,145.3789619,158.0908166,165.761874,166.4810652,168.5234028,172.1996103,184.917652,0,1.805555556,2.25,1.766666667,1.573529412,1.555555556,1.5,1.4,1,0,0.040002738,-0.00278122,-0.020139622,-0.001100626,4.31E-04,-0.00173934,-2.93E-04,0.00562097,0,484.264036,-53.80711511,-161.4213453,-26.90355756,-40.35533633,-40.35533633,-40.35533633,121.066009,0,900.5096538,-100.0566282,-300.1698846,-50.0283141,-75.04247115,-75.04247115,-75.04247115,225.1274134,0,0.094864,-0.010540444,-0.031621333,-0.005270222,-0.007905333,-0.007905333,-0.007905333,0.023716,0,4.025697139,-0.447299682,-1.341899046,-0.223649841,-0.335474762,-0.335474762,-0.335474762,1.006424285,0,21.86765075,-2.429738973,-7.289216918,-1.214869486,-1.822304229,-1.822304229,-1.822304229,5.466912688,0,3.111111111,-0.438271605,-0.87962963,-0.237654321,-0.166666667,-0.018518519,-0.509259259,0.694444444,0,0.002222374,-1.64E-04,-6.71E-04,-3.24E-05,1.60E-05,-8.28E-05,-1.95E-05,6.25E-04,0,26.90355756,-3.165124418,-5.380711511,-0.791281105,-1.494642086,-1.921682683,-2.690355756,13.45177878,0,50.0283141,-5.885684011,-10.00566282,-1.471421003,-2.779350783,-3.573451007,-5.00283141,25.01415705,0,0.005270222,-6.20E-04,-0.001054044,-1.55E-04,-2.93E-04,-3.76E-04,-5.27E-04,0.002635111,0,0.223649841,-0.026311746,-0.044729968,-0.006577937,-0.012424991,-0.015974989,-0.022364984,0.111824921,0,1.214869486,-0.142925822,-0.242973897,-0.035731455,-0.067492749,-0.086776392,-0.121486949,0.607434743,0,0.172839506,-0.025780683,-0.029320988,-0.006989833,-0.00617284,-8.82E-04,-0.033950617,0.077160494,0,-0.073615485,-0.302073659,-0.014566106,0.007186887,-0.037269021,-0.008782605,0.281029244,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.149159664,-0.169642857,-0.040441176,-0.035714286,-0.005102041,-0.196428571,0.446428571,0,1.360986915,1.377599631,1.010757438,0.960329614,0.903051764,0.61620132,0.003719356,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.526785714,1.161160714,0.944196429,0.936011905,0.878188776,1.092857143,0,0,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,24.51389036,12.20138963,20.14622415,24.43981629,4.073302715,12.20140297,-0.111111111,0.186385835,0.031064306,-1.007961824,40.95256977,6.825428295,2.227448737,0,11.89,12.11007471,-0.181125823,0.043355217,5.090583876,6.867637229,5,17,16,16,4,1,1,0,0,1,13.118484,3.481399334,3.049930099,2.428688263,1.891521341,1.331311296,0.765847009,0.083923071,0.083923071,1.863783038,1.611524163,1.239148958,0.863568446,0.602169637,0.264964675,0.083923071,0.083923071,3.505841441,3.088836534,2.489259763,1.967536665,1.439322469,0.900454728,0.270913902,0.270913902,1.805414244,1.532245906,1.133409581,0.741875589,0.454381641,0.09844123,0.270913902,0.270913902,3.615755954,3.258909237,2.747078453,2.284983883,1.873215159,1.426223898,0.943918427,0.943918427,1.638161172,1.292529721,0.79650392,0.344649558,0.048210994,0.480977355,0.943918427,0.943918427,3.523980836,3.11746945,2.533503899,2.022738466,1.516763663,0.996044729,0.399277246,0.399277246,1.768615858,1.481153979,1.063829824,0.661089052,0.354796896,0.014648039,0.399277246,0.399277246,3.670672848,3.340669691,2.86633473,2.428306665,2.060498847,1.646329442,1.207644823,1.207644823,1.587536355,1.216048922,0.683298907,0.207422135,0.230283037,0.697079997,1.207644823,1.207644823,3.551518429,3.152426137,2.604035092,2.094515748,1.568267128,1.124870062,0.545454545,0.545454545,1.76090306,1.401965688,0.980750265,0.562223677,0.269870672,0.152808039,0.545454545,0.545454545,0,0,0,2,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.568914101,2.526038674,1.357710728,0.691044062,0.333333333,0.166666667,0,0,0.761485683,0.505207735,0.339427682,0.230348021,0.166666667,0.166666667,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,2,0,2,0,0,0,0,0,0,0,0,2,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.650416667,0,0,0.759305556,0.580555556,0,0.650416667,0,0,0,0,0,0,0,0,4.231805556,0,2.500833333,0,4.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.225625,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.05125,0,1.232638889,0,2.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.334097222,0,0,0.290277778,0.290277778,0,0.334097222,0,0,0,0,0,0,0,0,2.180555556,0,1.268194444,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.334097222,2.180555556,0.225625,1.232638889,4.228402778,0.267361111,0.180555556,0.998333333,0.267361111,0.180555556,0.998333333,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.33333,0,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.28976,0.71496,5.31294,1.02318,0.17053,2.31066,0.38511,2.91421,0.60355,0.10059,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.102187171,3.308270835,3.419381946,3.419381946,2.775772918,16.52932501,37.83936908,59.54887502,61.54887502,61.54887502,49.96391252,0.220218789,0.504130691,0.793364589,0.820010419,0.820010419,0.66566495,3.251629167,2.06773783,0.861654167,0.750543056,0.750543056,1.394152084,0.220218789,0.504130691,0.793364589,0.820010419,0.820010419,0.66566495,6.73287657,16.17613249,18.61300657,18.72498713,18.72498713,12.98339237,23.69925001,15.20198837,13.03809584,12.79699306,12.79699306,10.42172153,6,5,5.333333333,6,2,6,2.12,0.911,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,2.708,4,3,2,1,0,0,0,0,0,21,1.945910149,1.945910149,1.791759469,1.609437912,1.098612289,0,0,0,0,0,3.401197382,1.380952381,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,109.6959078,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,84.09390038,4.671883355,10.83915043,1.806525072,0,0,0,35,3,3.343,18,1.206397479,2.097553992,2.898246756,3.689414415,5.01655166,5.995916978,7.182296054,0,0,0,71.97753534,64.20355554,65.3312757,77.59617183,73.51503538,36.072836,7.297672457,0,0,0,272.4646429,304.0445056,327.7838049,417.4147591,464.6151241,412.5010506,223.252655,0,0,0,8.770274304,14.88187091,20.25043967,25.84353256,34.85985163,41.36235971,48.25399747,0,0,0,2.070676929,2.577925938,2.920674485,3.767822171,4.459560593,4.474077906,3.193341512,0,0,0,173.2971478,327.4379309,476.4025562,600.8155902,837.7602797,1022.804242,1328.133322,0,0,0,2.817129476,3.849513432,4.731393466,6.177909389,7.81067421,8.699057879,7.182296054,0,0,0,0.42953803,0.54586106,0.625013354,0.8072418,0.965563622,0.985934087,0.735467116,0,0,0,312.6730302,118.3589901,9.229476957,104.6611121,-39.61833074,-6.717395246,208.0119182,157.9773208,15.9468722,0.749215074,0.283607254,0.022115317,0.250784926,-0.094931918,-0.016095964,130.4891309,49.39524761,3.85177585,43.67865543,-16.53408208,-2.803398383,0.150280215,0.240483033,2.263988703,2.314237331,417.3341423,0,1,0,332.8264457,18.24353161,6.930096398,453.1323425,21.28690542,7.680833551,469.5336087,21.66872421,7.772407485,2.371705307,2.371705307,438.4421364,421.8885725,29.22235075,1.039236815,15.00365731,14.43718803,3.621389042,4.50018102,7.773594479,0.727395952,4.956940669,3.968773604,2.316929914,14.84880749,5.775982879,2.57160164,2.916506165,6.166969695,5.618919536,0.840423903,0.870775214,1.679831868,4.008976214,0.005197636,0.011879828,2.42E-23,9.55E-66,7.25E-130,1.06E-215,3.0E-323,0,0,0,0,0,0,0,0,0,0,0.416009447,3.964034626,0.1908831,4.101407656,0.04794049,0.085837313,0.593337947,0.205410801,2.140908336,0.026153624,0.028758203,0.189529968,0.149715507,3.68E-05,8.37E-05,1.71E-25,6.72E-68,5.10E-132,7.48E-218,0,0,0,0,0,0,0,0,0,0,0,1.342910319,3.964351402,0.61854021,4.887023789,0.442576218,0.361903829,1.067207107,0.8687692,2.617887972,0.113668573,0.122006473,0.492330817,0.606341682,3.82E-04,8.72E-04,1.78E-24,7.01E-67,5.32E-131,7.79E-217,0,0,0,0,0,0,0,0,0,0,0,4.678948114,3.968253344,2.184541036,13.69269997,5.151295539,2.337587693,2.774163543,5.606189277,5.323585855,0.762735185,0.79141249,1.588100835,3.655571785,0.004631105,0.010584712,2.16E-23,8.51E-66,6.46E-130,9.46E-216,3.0E-323,0,0,0,0,0,0,0,0,0,0,1.979198709,3.96476202,0.913988276,5.844435686,0.943470062,0.620101794,1.392604086,1.488496342,3.014489175,0.197111009,0.209363982,0.700610254,1.018120947,8.29E-04,0.00189391,3.87E-24,1.52E-66,1.16E-130,1.69E-216,0,0,0,0,0,0,0,0,0,0,0,5.986221977,3.970961203,2.809642669,19.69497587,8.400048836,3.530969995,3.44367299,8.465623868,6.805980236,1.159680118,1.196201553,2.020033559,5.450481112,0.007579767,0.017325612,3.54E-23,1.39E-65,1.06E-129,1.55E-215,4.0E-323,0,0,0,0,0,0,0,0,0,0,2.716996855,3.653715141,1.286898255,7.191178908,1.745290548,0.895504629,1.845658795,2.164104918,3.61851131,0.289214044,0.346572677,1.028562142,1.662872961,0.001546993,0.003534494,7.21E-24,2.84E-66,2.16E-130,3.16E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,6.245837638,0.749969807,0.349178414,0.850353936,0.102106365,0.578640483,0.513126348,0.444431357,7.344985859,7.126974598,16.10757837,0.775530905,1.536198188,4.953154533,0.272253253,0.07527736,0.934436662,0.051361899,0.364518648,0.067931905,0.020655641,5.300685147,1.741867339,7.144064942,0.901654993,0.453106195,5.466154187,0.462398879,0.184061968,0.894241525,0.075646655,0.443547466,0.195805261,0.123491777,6.112615034,3.618764714,10.19660439,0.841362287,0.762844504,6.213796466,0.738180872,0.342397395,0.851861427,0.10119865,0.572732311,0.497220368,0.42733732,7.294374733,6.967244627,15.83216392,0.77779214,1.49729,5.695006014,0.546967844,0.232551745,0.879602053,0.084479988,0.481324669,0.273742763,0.197128367,6.474525603,4.566567078,11.76548792,0.81940308,0.952195798,6.346160487,0.786867322,0.370407972,0.845767282,0.104867603,0.597337101,0.564496005,0.500115791,7.503435781,7.635716671,16.98881663,0.768650923,1.661948897,6.225414632,0.737518857,0.342304823,0.852185017,0.100957536,0.574870007,0.496285336,0.427106277,7.305238312,6.974806398,15.85168962,0.778277525,1.498261619 +UMLKV0085,L,TRANS-2-HEXENE,CCCC=CC,C6H12,Olefin (alkene) with single C=C double bond,hexenes,7688-21-3,2.471411873,PubChem,,0.3673,0,0.9262,0.85784644,29.3132,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,803.11258,630.655707,447.02213,264.404617,81.787104,9.144576,0,2914.106344,3494.423905,4007.996657,3488.939862,2627.961878,1798.067638,968.1733981,279.7536999,0,125.864664,123.114164,212.027152,236.881452,187.832648,145.502308,103.171968,60.466176,0,22.06875486,27.30703172,34.75630082,32.18367113,24.72029948,17.70154074,10.682782,4.001516144,0,2979.777961,2471.442353,4742.724499,5635.903716,4494.988761,3538.991458,2582.994154,1664.258868,0,32.5,38.25,53,53.5,42,31.5,21,9,0,48.76541633,50.97680359,26.77041933,18.54869726,16.55637519,12.59069605,5.4524736,1.016064,0,161.8947969,205.5543474,133.5998886,102.6158783,97.33192139,85.62226847,64.54489321,31.08374443,0,6.992481333,7.242009647,7.067571733,6.967101529,6.956764741,6.928681333,6.8781312,6.718464,0,1.226041937,1.606295984,1.158543361,0.946578563,0.915566648,0.842930512,0.712185467,0.444612905,0,165.54322,145.3789619,158.0908166,165.761874,166.4810652,168.5234028,172.1996103,184.917652,0,1.805555556,2.25,1.766666667,1.573529412,1.555555556,1.5,1.4,1,0,0.040002738,-0.00278122,-0.020139622,-0.001100626,4.31E-04,-0.00173934,-2.93E-04,0.00562097,0,484.264036,-53.80711511,-161.4213453,-26.90355756,-40.35533633,-40.35533633,-40.35533633,121.066009,0,900.5096538,-100.0566282,-300.1698846,-50.0283141,-75.04247115,-75.04247115,-75.04247115,225.1274134,0,0.094864,-0.010540444,-0.031621333,-0.005270222,-0.007905333,-0.007905333,-0.007905333,0.023716,0,4.025697139,-0.447299682,-1.341899046,-0.223649841,-0.335474762,-0.335474762,-0.335474762,1.006424285,0,21.86765075,-2.429738973,-7.289216918,-1.214869486,-1.822304229,-1.822304229,-1.822304229,5.466912688,0,3.111111111,-0.438271605,-0.87962963,-0.237654321,-0.166666667,-0.018518519,-0.509259259,0.694444444,0,0.002222374,-1.64E-04,-6.71E-04,-3.24E-05,1.60E-05,-8.28E-05,-1.95E-05,6.25E-04,0,26.90355756,-3.165124418,-5.380711511,-0.791281105,-1.494642086,-1.921682683,-2.690355756,13.45177878,0,50.0283141,-5.885684011,-10.00566282,-1.471421003,-2.779350783,-3.573451007,-5.00283141,25.01415705,0,0.005270222,-6.20E-04,-0.001054044,-1.55E-04,-2.93E-04,-3.76E-04,-5.27E-04,0.002635111,0,0.223649841,-0.026311746,-0.044729968,-0.006577937,-0.012424991,-0.015974989,-0.022364984,0.111824921,0,1.214869486,-0.142925822,-0.242973897,-0.035731455,-0.067492749,-0.086776392,-0.121486949,0.607434743,0,0.172839506,-0.025780683,-0.029320988,-0.006989833,-0.00617284,-8.82E-04,-0.033950617,0.077160494,0,-0.073615485,-0.302073659,-0.014566106,0.007186887,-0.037269021,-0.008782605,0.281029244,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.149159664,-0.169642857,-0.040441176,-0.035714286,-0.005102041,-0.196428571,0.446428571,0,1.360986915,1.377599631,1.010757438,0.960329614,0.903051764,0.61620132,0.003719356,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.526785714,1.161160714,0.944196429,0.936011905,0.878188776,1.092857143,0,0,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,24.51389036,12.20138963,20.14622415,24.43981629,4.073302715,12.20140297,-0.111111111,0.186385835,0.031064306,-1.007961824,40.95256977,6.825428295,2.227448737,0,11.89,12.11007471,-0.181125823,0.043355217,5.090583876,6.867637229,5,17,16,16,4,1,1,0,0,1,13.118484,3.481399334,3.049930099,2.428688263,1.891521341,1.331311296,0.765847009,0.083923071,0.083923071,1.863783038,1.611524163,1.239148958,0.863568446,0.602169637,0.264964675,0.083923071,0.083923071,3.505841441,3.088836534,2.489259763,1.967536665,1.439322469,0.900454728,0.270913902,0.270913902,1.805414244,1.532245906,1.133409581,0.741875589,0.454381641,0.09844123,0.270913902,0.270913902,3.615755954,3.258909237,2.747078453,2.284983883,1.873215159,1.426223898,0.943918427,0.943918427,1.638161172,1.292529721,0.79650392,0.344649558,0.048210994,0.480977355,0.943918427,0.943918427,3.523980836,3.11746945,2.533503899,2.022738466,1.516763663,0.996044729,0.399277246,0.399277246,1.768615858,1.481153979,1.063829824,0.661089052,0.354796896,0.014648039,0.399277246,0.399277246,3.670672848,3.340669691,2.86633473,2.428306665,2.060498847,1.646329442,1.207644823,1.207644823,1.587536355,1.216048922,0.683298907,0.207422135,0.230283037,0.697079997,1.207644823,1.207644823,3.551518429,3.152426137,2.604035092,2.094515748,1.568267128,1.124870062,0.545454545,0.545454545,1.76090306,1.401965688,0.980750265,0.562223677,0.269870672,0.152808039,0.545454545,0.545454545,0,0,0,2,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.568914101,2.526038674,1.357710728,0.691044062,0.333333333,0.166666667,0,0,0.761485683,0.505207735,0.339427682,0.230348021,0.166666667,0.166666667,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,2,0,2,0,0,0,0,0,0,0,0,2,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.650416667,0,0,0.759305556,0.580555556,0,0.650416667,0,0,0,0,0,0,0,0,4.231805556,0,2.500833333,0,4.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.225625,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.05125,0,1.232638889,0,2.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.334097222,0,0,0.290277778,0.290277778,0,0.334097222,0,0,0,0,0,0,0,0,2.180555556,0,1.268194444,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.334097222,2.180555556,0.225625,1.232638889,4.228402778,0.267361111,0.180555556,0.998333333,0.267361111,0.180555556,0.998333333,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.33333,0,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.28976,0.71496,5.31294,1.02318,0.17053,2.31066,0.38511,2.91421,0.60355,0.10059,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.102187171,3.308270835,3.419381946,3.419381946,2.775772918,16.52932501,37.83936908,59.54887502,61.54887502,61.54887502,49.96391252,0.220218789,0.504130691,0.793364589,0.820010419,0.820010419,0.66566495,3.251629167,2.06773783,0.861654167,0.750543056,0.750543056,1.394152084,0.220218789,0.504130691,0.793364589,0.820010419,0.820010419,0.66566495,6.73287657,16.17613249,18.61300657,18.72498713,18.72498713,12.98339237,23.69925001,15.20198837,13.03809584,12.79699306,12.79699306,10.42172153,6,5,5.333333333,6,2,6,2.12,0.911,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,2.708,4,3,2,1,0,0,0,0,0,21,1.945910149,1.945910149,1.791759469,1.609437912,1.098612289,0,0,0,0,0,3.401197382,1.380952381,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,109.6959078,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,84.09390038,4.671883355,10.83915043,1.806525072,0,0,0,35,3,3.343,18,1.206407584,2.097569776,2.898267852,3.689425465,5.016556867,5.995925823,7.182303806,0,0,0,71.97780678,64.20439006,65.33197387,77.59703623,73.5158879,36.0730884,7.297680335,0,0,0,272.4661507,304.0474434,327.7867532,417.4173471,464.6182489,412.5031614,223.2528959,0,0,0,8.77034671,14.88198294,20.25058805,25.84361111,34.85989551,41.36242789,48.25404956,0,0,0,2.070690073,2.577948225,2.920698953,3.767840197,4.459582647,4.474096519,3.193344959,0,0,0,173.2986655,327.4404125,476.4059579,600.817335,837.7605698,1022.80518,1328.134756,0,0,0,2.817144537,3.849546241,4.731433214,6.177932269,7.810700602,8.69908867,7.182303806,0,0,0,0.429540819,0.545865697,0.625018528,0.807245494,0.965568106,0.985938012,0.73546791,0,0,0,339.4407086,128.4916049,9.885008945,121.1716541,-45.86821765,-7.746316266,218.2690546,174.3598226,17.63132521,0.736933561,0.27895822,0.021460581,0.263066439,-0.099580952,-0.01681743,156.3505868,59.18482173,4.553157326,55.81316188,-21.1274681,-3.568049038,0.150280215,0.240483033,2.147630987,2.215920058,460.6123627,0,1,0,332.8266002,18.24353585,6.93009747,453.1296794,21.28684287,7.680818504,469.529575,21.66863113,7.772385228,2.212030466,2.212030466,438.4519762,421.8987939,29.22190205,1.03923496,15.00422441,14.4377595,3.621407943,4.500167527,7.773701276,0.727424864,4.955733642,3.96832855,2.315994136,14.85277979,5.775026157,2.57365924,2.917742953,6.168585185,5.619884938,0.840251884,0.87047463,1.68105406,4.009662761,0.005184432,0.011927417,2.46E-23,9.75E-66,7.47E-130,1.10E-215,3.0E-323,0,0,0,0,0,0,0,0,0,0,0.415908173,3.9635944,0.190800107,4.101219904,0.047933174,0.085900115,0.593686877,0.205398977,2.141389625,0.026106924,0.028785752,0.189808469,0.149798826,3.67E-05,8.40E-05,1.73E-25,6.87E-68,5.26E-132,7.78E-218,0,0,0,0,0,0,0,0,0,0,0,1.342583337,3.963910853,0.618275236,4.887112815,0.442504515,0.362180958,1.067735362,0.868828158,2.618528064,0.113539081,0.12206085,0.492800562,0.60659371,3.81E-04,8.75E-04,1.80E-24,7.16E-67,5.48E-131,8.10E-217,0,0,0,0,0,0,0,0,0,0,0,4.67780878,3.96780882,2.183654667,13.69621511,5.150442719,2.339454947,2.775345304,5.607612674,5.324542841,0.762550598,0.79116518,1.589264765,3.656237527,0.004619341,0.010627114,2.19E-23,8.69E-66,6.66E-130,9.84E-216,3.0E-323,0,0,0,0,0,0,0,0,0,0,1.978716786,3.964321054,0.913600727,5.844884664,0.943315736,0.620583314,1.393256008,1.488681501,3.015220469,0.196941671,0.209408922,0.701211692,1.018475256,8.27E-04,0.001901496,3.92E-24,1.56E-66,1.19E-130,1.76E-216,0,0,0,0,0,0,0,0,0,0,0,5.984764312,3.970513921,2.808527128,19.70087075,8.398655433,3.533809821,3.445114289,8.468055586,6.806952705,1.159577613,1.19566604,2.021472024,5.451226384,0.007560507,0.017395016,3.58E-23,1.42E-65,1.09E-129,1.61E-215,4.0E-323,0,0,0,0,0,0,0,0,0,0,2.716317034,3.653360479,1.286309433,7.19222028,1.74500511,0.896211887,1.84655662,2.164495575,3.619241247,0.289074822,0.346598448,1.029401159,1.66338095,0.001543069,0.003548653,7.31E-24,2.90E-66,2.22E-130,3.28E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,6.245871187,0.749985961,0.349176564,0.850352964,0.102107899,0.578635741,0.513124673,0.444431177,7.345033711,7.127105063,16.10779204,0.775529446,1.536191591,4.953273647,0.272248183,0.075276961,0.934439099,0.051359841,0.364529206,0.067926107,0.020655633,5.300798791,1.741881153,7.144192413,0.901658649,0.453110945,5.466239313,0.462402242,0.184060993,0.894242648,0.075646122,0.443552837,0.195798838,0.123491727,6.112702548,3.618832966,10.19676832,0.841363972,0.762843402,6.213832132,0.738196501,0.342395581,0.851860538,0.101200106,0.572728038,0.497218362,0.427337147,7.294424214,6.967373022,15.83237574,0.777790806,1.497283547,5.69507599,0.546974967,0.232550513,0.879602554,0.084480098,0.48132735,0.273737019,0.197128287,6.47460147,4.566656153,11.76566736,0.819403831,0.952192656,6.346187408,0.786885117,0.370406009,0.845766051,0.104869377,0.597330863,0.564495437,0.500115589,7.503478534,7.63585335,16.98903594,0.768649076,1.661941888,6.225450459,0.737534458,0.342303009,0.852184133,0.100958986,0.574865735,0.496283321,0.427106104,7.305287927,6.974934924,15.85190172,0.7782762,1.49825516 +UMLKV0086,L,2-METHYL-1-PENTENE,CCCC(=C)C,C6H12,Olefin (alkene) with single C=C double bond,hexenes,763-29-1,2.457807555,PubChem,,0.3639,0,0.9796,0.95961616,28.1049,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,924.178589,697.201851,456.166706,143.338608,15.24096,0,0,2914.106344,3494.423905,4233.124071,3990.857093,2907.715577,1572.940224,466.2561665,0,0,125.864664,123.114164,212.050868,239.27646,248.298824,145.478592,100.77696,0,0,22.06875486,27.30703172,35.7627251,36.19725956,28.72181563,16.69511646,6.669193573,0,0,2979.777961,2471.442353,4748.191412,5445.13309,6159.247629,3533.524545,2773.76478,0,0,36.27777778,40.08333333,54.16666667,63.16666667,54.5,35,15,0,0,48.76541633,50.97680359,30.80595297,20.50593679,12.67129739,6.825648,1.016064,0,0,161.8947969,205.5543474,141.1041357,117.3781498,80.76987715,74.90191545,31.08374443,0,0,6.992481333,7.242009647,7.068362267,7.037542941,6.897189556,6.927552,6.718464,0,0,1.226041937,1.606295984,1.192090837,1.064625281,0.797828212,0.795005546,0.444612905,0,0,165.54322,145.3789619,158.2730471,160.1509732,171.0902119,168.2630736,184.917652,0,0,2.015432099,2.357843137,1.805555556,1.857843137,1.513888889,1.666666667,1,0,0,0.039124775,-0.004409176,-0.00832854,-0.018822097,0.011110003,-0.012156049,0.013043472,0,0,484.264036,-53.80711511,-40.35533633,-269.0355756,80.71067267,-161.4213453,201.7766817,0,0,900.5096538,-100.0566282,-75.04247115,-500.283141,150.0849423,-300.1698846,375.2123557,0,0,0.094864,-0.010540444,-0.007905333,-0.052702222,0.015810667,-0.031621333,0.039526667,0,0,4.025697139,-0.447299682,-0.335474762,-2.236498411,0.670949523,-1.341899046,1.677373808,0,0,21.86765075,-2.429738973,-1.822304229,-12.14869486,3.644608459,-7.289216918,9.111521147,0,0,5.160493827,-1.528120713,1.062757202,-2.963648834,1.688271605,-2.326131687,1.486625514,0,0,0.002173599,-2.59E-04,-2.78E-04,-5.54E-04,3.09E-04,-5.79E-04,8.70E-04,0,0,26.90355756,-3.165124418,-1.345177878,-7.912811046,2.24196313,-7.68673073,13.45177878,0,0,50.0283141,-5.885684011,-2.501415705,-14.71421003,4.169026175,-14.29380403,25.01415705,0,0,0.005270222,-6.20E-04,-2.64E-04,-0.001550065,4.39E-04,-0.001505778,0.002635111,0,0,0.223649841,-0.026311746,-0.011182492,-0.065779365,0.018637487,-0.063899955,0.111824921,0,0,1.214869486,-0.142925822,-0.060743474,-0.357314555,0.101239124,-0.347105568,0.607434743,0,0,0.286694102,-0.089889454,0.03542524,-0.087166142,0.046896433,-0.110768176,0.099108368,0,0,-0.119324369,-0.12772276,-0.25468874,0.141981679,-0.266313878,0.400057682,0,0,-0.117647059,-0.05,-0.294117647,0.083333333,-0.285714286,0.5,0,0,-0.117647059,-0.05,-0.294117647,0.083333333,-0.285714286,0.5,0,0,-0.117647059,-0.05,-0.294117647,0.083333333,-0.285714286,0.5,0,0,-0.117647059,-0.05,-0.294117647,0.083333333,-0.285714286,0.5,0,0,-0.117647059,-0.05,-0.294117647,0.083333333,-0.285714286,0.5,0,0,-0.313537855,0.123564593,-0.30403884,0.163576555,-0.386363636,0.34569378,0,0,1.410578496,1.147823276,1.222907152,0.742539615,1.191828999,0.083119264,0,0,1.5,1.133333333,1.3125,0.708333333,1.113095238,0,0,0,1.5,1.133333333,1.3125,0.708333333,1.113095238,0,0,0,1.5,1.133333333,1.3125,0.708333333,1.113095238,0,0,0,1.5,1.133333333,1.3125,0.708333333,1.113095238,0,0,0,1.5,1.133333333,1.3125,0.708333333,1.113095238,0,0,0,1.663277512,0.584120813,1.526016746,0.621486244,1.568694463,0,0,0,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,28.54046478,14.09430646,23.24723,28.30589688,4.71764948,14.09430827,-0.351851852,0.180238238,0.030039706,-1.028085457,93.97254921,15.66209153,2.725801626,0,11.89,12.11007471,-0.173307264,0.049641164,5.172182174,7.378699054,5,17,16,16,4,1,1,0,0,1,13.118484,3.509509789,3.00861965,2.262902659,2.141043573,1.379788877,0.424417096,0.083923071,0.083923071,1.874624087,1.584109337,1.164868237,1.042942187,0.64012244,0.083923071,0.083923071,0.083923071,3.532363468,3.048689896,2.333133822,2.209460257,1.486312014,0.536930715,0.270913902,0.270913902,1.818000681,1.503276574,1.051065661,0.927186419,0.492791327,0.270913902,0.270913902,0.270913902,3.636051457,3.223537309,2.626375934,2.499237151,1.915342416,0.963715902,0.943918427,0.943918427,1.657359637,1.258033258,0.681610229,0.554435053,0.006770143,0.943918427,0.943918427,0.943918427,3.549373664,3.078163968,2.384102426,2.259374684,1.562752636,0.616168921,0.399277246,0.399277246,1.782439346,1.451112172,0.975670975,0.850703196,0.393624383,0.399277246,0.399277246,0.399277246,3.688375087,3.307384409,2.759159287,2.632200336,2.10108654,1.207644823,1.207644823,1.207644823,1.609293453,1.179526588,0.554654643,0.427824615,0.187161211,1.134156544,1.207644823,1.207644823,3.586723341,3.095911212,2.525735629,2.313103709,1.572946203,0.637933494,0.514285714,0.514285714,1.816692529,1.398803173,0.917864366,0.681223289,0.34634166,0.514285714,0.514285714,0.514285714,0,0,1,0,1,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.25,0,0,0,0.288675135,0.288675135,0,0.176776695,0.176776695,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.621320344,2.414213562,1.707106781,0.676776695,0.426776695,0,0,0,0.770220057,0.482842712,0.341421356,0.225592232,0.213388348,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,3,2,0,1,0,0,0,0,0,0,0,0,2,1,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.034212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368819444,0,0,0,0.759305556,0.580555556,0,0.368819444,0,0,0,0,0,0,0,0,4.220416667,3.744861111,2.412037037,0,0,0,0,0,0,1.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368819444,0,0,0,0.225625,0.290277778,0,0.368819444,0,0,0,0,0,0,0,0,2.059027778,3.744861111,1.180555556,0,0,0,0,0,0,1.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.744861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368819444,0,0,0,0.290277778,0.290277778,0,0.368819444,0,0,0,0,0,0,0,0,2.161388889,3.744861111,1.231481481,0,0,0,0,0,0,1.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.66666667,1.944444444,0.368819444,3.744861111,0.081597222,1.180555556,3.994889074,0.377314815,0.744861111,1.930555556,0.377314815,0.744861111,1.930555556,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.50196,0.75033,5.69868,1.19673,0.19945,2.22875,0.37146,2.77005,0.5413,0.09022,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.213298282,3.308270835,3.308270835,3.076608334,2.261069445,16.52932501,39.83936908,59.54887502,59.54887502,55.37895002,40.69925001,0.220218789,0.53077652,0.793364589,0.793364589,0.737809033,0.542232641,3.251629167,1.956626719,0.861654167,0.861654167,1.093316667,1.908855556,0.220218789,0.53077652,0.793364589,0.793364589,0.737809033,0.542232641,6.73287657,17.50946582,18.61300657,18.61300657,15.83305657,9.918186589,23.69925001,13.75537171,13.03809584,13.03809584,11.64812084,8.163743058,6,3.2,5.333333333,6,2,5,2.12,0.911,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.104,0.088,0.143,0.175,2.638,5,3,2,0,0,0,0,0,0,21,1.945910149,2.079441542,1.609437912,1.386294361,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,109.6959078,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,84.09390038,4.671883355,10.67917749,1.779862916,0,0,0,32,3,2.881,20,1.218176471,2.110601001,2.932698089,3.572508005,4.508951691,5.488026661,0,0,0,0,72.09694811,74.30938985,66.9830753,54.50861221,34.05797138,5.576186321,0,0,0,0,273.7619267,324.294709,363.7635244,317.5541809,362.4791392,170.5884182,0,0,0,0,8.854038609,14.97828794,20.68315813,24.71652767,31.35409745,36.87110955,0,0,0,0,2.083499297,2.677482179,3.241348729,3.035222925,3.782555501,2.440047476,0,0,0,0,175.1053983,329.7544042,466.4994325,605.5816193,749.2829873,1014.833004,0,0,0,0,2.944308824,3.998058916,5.568553144,5.603822318,7.838853047,5.488026661,0,0,0,0,0.432308382,0.564673059,0.692083803,0.657742344,0.827415843,0.56197393,0,0,0,0,345.7454924,129.0262223,10.45593991,162.1492469,-60.51128716,-10.50042628,183.5962455,189.5375094,20.95636619,0.680742417,0.254041265,0.020586825,0.319257583,-0.119141394,-0.020674414,175.6023167,65.53173953,5.310516876,82.3547495,-30.73336442,-5.33311127,0.143178198,0.267189428,4.510370501,6.184421945,507.8947393,0,1,0,333.2330094,18.25467089,6.932917066,449.9020669,21.21089501,7.66253838,502.1520734,22.40874993,7.948376307,1.524863477,1.524863477,320.5330172,269.0760086,64.85717175,1.191235959,4.94213683,4.148747184,3.6421286,3.477616438,6.454645435,0.856054442,3.510134988,3.965523711,4.772086919,10.38910679,2.338632526,3.938684801,2.588672017,8.163641833,1.939448387,1.654087221,0.11409806,1.628283808,2.42E-13,6.96E-48,3.86E-104,4.12E-182,8.49E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0.294592014,3.965317641,0.192876381,4.646356408,0.029704862,0.186749218,0.30638318,0.315332559,0.936676212,0.023743503,8.35E-04,0.011468136,1.71E-15,4.90E-50,2.72E-106,2.90E-184,5.98E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0.950952888,3.965331835,0.759429803,5.245572743,0.205094294,0.697478956,0.662079463,1.260184006,1.126065737,0.15247152,0.008454788,0.119506819,1.78E-14,5.11E-49,2.83E-105,3.02E-183,6.23E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,3.313281751,3.965501237,4.361507739,9.834830795,2.092597791,3.618740881,2.409978309,7.450694011,1.87264759,1.482089116,0.101680928,1.450771558,2.16E-13,6.20E-48,3.44E-104,3.67E-182,7.57E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,1.401524051,3.965349854,1.25766561,5.827051963,0.413356018,1.123829408,0.938964829,2.103918062,1.260617899,0.301428875,0.018287696,0.25958478,3.87E-14,1.11E-48,6.15E-105,6.57E-183,1.35E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,4.238993919,3.965618119,6.440158184,12.67150208,3.368449046,5.22576876,3.294546008,11.06733024,2.192926369,2.37288469,0.166298926,2.374698905,3.54E-13,1.02E-47,5.63E-104,6.01E-182,1.24E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,1.899994637,2.95134019,1.615036861,6.47688654,0.679806903,1.501221817,1.059260407,2.726447616,1.448690569,0.479094842,0.030285749,0.430664452,6.41E-14,1.84E-48,1.02E-104,1.09E-182,2.25E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,4.087574431,1.237328514,0.369336683,0.717843768,0.217294774,0.563798613,0.468392481,0.444427299,5.694239629,7.024354391,14.58657797,0.576765652,1.476618394,3.132393952,0.694175952,0.079623165,0.801904539,0.177711634,0.331998834,0.150656041,0.020655452,3.906193068,2.479116158,6.558444428,0.702856809,0.503310327,3.511332882,0.910326271,0.194687971,0.760630167,0.197196235,0.416596104,0.256819851,0.123490649,4.616347124,4.057302417,9.295961573,0.64094525,0.796906604,4.063887342,1.223921099,0.362164193,0.71927558,0.216624253,0.557305446,0.458532136,0.427333418,5.649972634,6.888932339,14.34026529,0.57891337,1.443171,3.680435086,1.00647984,0.24597709,0.746100882,0.204034436,0.457469402,0.312730254,0.197126567,4.932892017,4.857157414,10.70121836,0.619151323,0.967326223,4.161743349,1.279292586,0.391791836,0.713503555,0.219326309,0.584375552,0.499902719,0.500111225,5.832827771,7.455840871,15.37460262,0.570255332,1.584389496,4.06655996,1.230298281,0.361546704,0.718676023,0.217428461,0.558155859,0.46449127,0.425877455,5.658404944,6.918143363,14.38539601,0.578014034,1.448524584 +UMLKV0087,L,4-METHYL-1-PENTENE,CC(C)CC=C,C6H12,Olefin (alkene) with single C=C double bond,hexenes,691-37-2,2.457807555,PubChem,,0.3585,0,1.3428,1.80311184,29.2804,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,935.269613,711.341067,448.123874,129.199392,12.192768,0,0,2914.106344,3494.423905,4316.776942,4167.761199,2917.313939,1396.036119,373.0049332,0,0,125.864664,123.114164,212.450036,259.83102,268.055048,124.924032,80.621568,0,0,22.06875486,27.30703172,36.43165651,38.20002968,29.38672294,14.69234634,5.335354858,0,0,2979.777961,2471.442353,4716.396308,5968.090942,6745.79569,3010.566693,2219.011824,0,0,37.02777778,40.66666667,53.83333333,65.33333333,59.66666667,34,12,0,0,48.76541633,50.97680359,31.17565377,19.22543424,11.49035574,7.177744,1.016064,0,0,161.8947969,205.5543474,143.8925647,112.6421946,74.80292151,77.55756218,31.08374443,0,0,6.992481333,7.242009647,7.081667867,7.02246,6.873206359,6.940224,6.718464,0,0,1.226041937,1.606295984,1.21438855,1.032433235,0.753505716,0.816241463,0.444612905,0,0,165.54322,145.3789619,157.2132103,161.2997552,172.9691202,167.2537052,184.917652,0,0,2.057098765,2.392156863,1.794444444,1.765765766,1.52991453,1.888888889,1,0,0,0.044427613,-0.008965497,-0.014090422,-0.004657831,0.007177535,-0.016508382,0.01483079,0,0,484.264036,-53.80711511,-80.71067267,-269.0355756,161.4213453,-161.4213453,161.4213453,0,0,900.5096538,-100.0566282,-150.0849423,-500.283141,300.1698846,-300.1698846,300.1698846,0,0,0.094864,-0.010540444,-0.015810667,-0.052702222,0.031621333,-0.031621333,0.031621333,0,0,4.025697139,-0.447299682,-0.670949523,-2.236498411,1.341899046,-1.341899046,1.341899046,0,0,21.86765075,-2.429738973,-3.644608459,-12.14869486,7.289216918,-7.289216918,7.289216918,0,0,5.470679012,-1.470764746,-0.159465021,-1.765346365,2.694701646,-3.294753086,1.260288066,0,0,0.002468201,-5.27E-04,-4.70E-04,-1.26E-04,1.84E-04,-9.17E-04,0.001235899,0,0,26.90355756,-3.165124418,-2.690355756,-7.271231772,4.139008855,-8.967852519,13.45177878,0,0,50.0283141,-5.885684011,-5.00283141,-13.52116597,7.696663707,-16.6761047,25.01415705,0,0,0.005270222,-6.20E-04,-5.27E-04,-0.001424384,8.11E-04,-0.001756741,0.002635111,0,0,0.223649841,-0.026311746,-0.022364984,-0.060445903,0.034407668,-0.074549947,0.111824921,0,0,1.214869486,-0.142925822,-0.121486949,-0.328343104,0.186902998,-0.404956495,0.607434743,0,0,0.303926612,-0.086515573,-0.005315501,-0.047712064,0.069094914,-0.183041838,0.105024005,0,0,-0.213670709,-0.190292767,-0.05100368,0.074564184,-0.37157931,0.500728802,0,0,-0.117647059,-0.1,-0.27027027,0.153846154,-0.333333333,0.5,0,0,-0.117647059,-0.1,-0.27027027,0.153846154,-0.333333333,0.5,0,0,-0.117647059,-0.1,-0.27027027,0.153846154,-0.333333333,0.5,0,0,-0.117647059,-0.1,-0.27027027,0.153846154,-0.333333333,0.5,0,0,-0.117647059,-0.1,-0.27027027,0.153846154,-0.333333333,0.5,0,0,-0.284659421,-0.017489422,-0.156985476,0.227340783,-0.6022567,0.345557123,0,0,1.486837637,1.096703292,0.927418842,0.732238503,1.660772749,0.171412762,0,0,1.5,1.204166667,1.263513514,0.599358974,1.180555556,0,0,0,1.5,1.204166667,1.263513514,0.599358974,1.180555556,0,0,0,1.5,1.204166667,1.263513514,0.599358974,1.180555556,0,0,0,1.5,1.204166667,1.263513514,0.599358974,1.180555556,0,0,0,1.5,1.204166667,1.263513514,0.599358974,1.180555556,0,0,0,1.624823695,0.75528914,1.003163954,0.566605186,2.416925247,0,0,0,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,30.47194687,15.03111233,24.23596966,30.19879873,5.033133121,15.03111302,-0.409722222,0.07246744,0.012077907,-1.57477075,14.46318437,2.410530728,1.602963847,0,11.79,12.21003864,-0.306825676,0.113388988,5.124354161,7.412007173,5,17,16,16,4,1,1,0,0,1,13.118484,3.494018132,3.029130969,2.333552793,2.103266247,1.109116892,0.871664064,0.083923071,0.083923071,1.884575859,1.545299122,1.249629723,1.006023519,0.418142065,0.333540386,0.083923071,0.083923071,3.519622947,3.063686206,2.405454588,2.171084284,1.219049038,1.002916581,0.270913902,0.270913902,1.82608164,1.470540254,1.134540686,0.889412067,0.265130178,0.170625408,0.270913902,0.270913902,3.633521744,3.217086891,2.704236987,2.459835573,1.664422796,1.51479584,0.943918427,0.943918427,1.65650868,1.247838048,0.76031856,0.515068227,0.254526309,0.394817936,0.943918427,0.943918427,3.538557411,3.089248084,2.457539916,2.220656736,1.298159117,1.096025329,0.399277246,0.399277246,1.789043687,1.422620954,1.058262671,0.812442147,0.162058693,0.06009497,0.399277246,0.399277246,3.689739079,3.292094647,2.838982085,2.592983945,1.857726164,1.729245421,1.207644823,1.207644823,1.604463575,1.178080874,0.631337262,0.388476204,0.442200776,0.605254737,1.207644823,1.207644823,3.549920844,3.185260083,2.511069867,2.262249816,1.345625704,1.148869465,0.507042254,0.507042254,1.855456745,1.309768955,0.989943107,0.723131563,0.114684593,0.032242705,0.507042254,0.507042254,0,0,1,1,0,2,1,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.288675135,0,0.23570226,0.166666667,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.568914101,2.37944541,1.918224245,0.638071187,0.333333333,0,0,0,0.761485683,0.475889082,0.383644849,0.212690396,0.166666667,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,4,1,0,2,0,0,0,0,0,0,0,0,2,1,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.549907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.386597222,0.328472222,0,0,0.984930556,0.290277778,0,0.715069444,0,0,0,0,0,0,0,0,4.364444444,3.600833333,1.138888889,0,1.949074074,0,0.780092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.386597222,0.328472222,0,0,0.225625,0.290277778,0,0.328472222,0,0,0,0,0,0,0,0,2.182222222,3.600833333,1.138888889,0,1.949074074,0,0.780092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.600833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.386597222,0.328472222,0,0,0.290277778,0.290277778,0,0.386597222,0,0,0,0,0,0,0,0,2.182222222,3.600833333,1.138888889,0,1.949074074,0,0.780092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.972222222,0.386597222,3.600833333,0.225625,0.780092593,4.456729537,0.553240741,0.600833333,1.930555556,0.553240741,0.600833333,1.930555556,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.49385,0.74898,5.69868,1.20483,0.20081,2.20517,0.36753,2.77005,0.56488,0.09415,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.209690973,2.974937501,2.974937501,2.743275001,1.927736112,16.52932501,39.77443751,53.54887502,53.54887502,49.37895002,34.69925001,0.220218789,0.529911443,0.7134271,0.7134271,0.657871544,0.462295152,3.251629167,1.960234029,1.1949875,1.1949875,1.42665,2.24218889,0.220218789,0.529911443,0.7134271,0.7134271,0.657871544,0.462295152,6.73287657,16.28447751,17.05571211,17.05571211,14.27576211,8.360892138,23.69925001,15.57894792,14.82857223,14.82857223,13.43859723,9.954219449,6,3.2,5.333333333,6,2,5,2.12,0.911,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.126,0.12,0.128,0.152,2.433,5,3,2,0,0,0,0,0,0,21,1.945910149,1.945910149,1.609437912,1.609437912,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,109.6959078,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,84.09390038,4.671883355,10.67917749,1.779862916,0,0,0,32,3,3.327,20,1.219,2.123579622,2.909438799,3.498403342,4.533909411,5.439833782,0,0,0,0,72.30904117,74.90014097,62.60967458,48.90558465,35.28795907,5.527219272,0,0,0,0,274.3286679,330.2950322,346.1482562,290.3103911,372.3407054,169.090403,0,0,0,0,8.860546952,15.09408561,20.47058789,24.12522901,31.56512981,36.54732743,0,0,0,0,2.086978642,2.72943982,3.114291036,2.822167601,3.866306651,2.4186203,0,0,0,0,175.1912326,329.8629259,466.5129854,599.1412027,750.4447495,1005.92129,0,0,0,0,2.980509804,3.962617959,5.26983962,5.693757123,8.923678441,5.439833782,0,0,0,0,0.432999265,0.575542722,0.666205125,0.613644371,0.844916658,0.557038979,0,0,0,0,332.0077004,130.8876858,10.31992935,148.0602511,-58.36992212,-9.364469661,183.9474494,189.2576079,19.68439901,0.691584805,0.272644082,0.02149681,0.308415195,-0.121586792,-0.01950655,159.3862566,62.83498318,4.954267343,71.07898143,-28.02152894,-4.495581767,0.143667885,0.260309515,2.32010635,6.71283422,480.0679515,0,1,0,331.0578085,18.19499405,6.917799096,447.9391783,21.16457366,7.651378443,499.7272835,22.35458082,7.935561963,1.544623655,1.281441922,305.7734471,260.2967645,69.20063206,1.174710903,4.418651073,3.76147958,3.632738058,3.477616438,6.522110511,0.875454245,3.591793317,3.914864138,2.977028568,11.37549192,4.730848996,3.837831281,3.935320114,4.874650797,2.392507191,1.299852585,0.680943934,1.904596212,2.41E-10,5.90E-42,2.78E-95,2.53E-170,4.43E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0.301445031,3.914691837,0.183261635,5.070796325,0.425864526,0.236441932,0.325373996,0.248986696,0.826555723,0.059926547,0.035428352,0.013414227,1.70E-12,4.15E-44,1.96E-97,1.78E-172,3.12E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0.973075264,3.914703751,0.635462187,5.911167562,0.724026083,0.812572135,0.834786224,0.909252444,1.012558254,0.22584383,0.128678013,0.139786586,1.77E-11,4.33E-43,2.04E-96,1.85E-171,3.25E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390360553,3.914845363,2.764228022,10.83154783,4.261911826,3.56111136,3.633855849,4.491025604,2.249362812,1.193104493,0.627801015,1.696960935,2.15E-10,5.25E-42,2.48E-95,2.25E-170,3.95E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.434128364,3.914718835,0.980940178,6.620646469,1.101090138,1.255274922,1.252017769,1.446809145,1.179924102,0.365625813,0.204126536,0.303635144,3.85E-11,9.40E-43,4.43E-96,4.03E-171,7.06E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,4.337608177,3.914942997,3.812357793,13.56884096,6.700316172,4.926263074,5.142869642,6.409090365,2.976186965,1.730110029,0.893178314,2.777674578,3.52E-10,8.60E-42,4.05E-95,3.69E-170,6.46E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.912741976,2.66705862,1.272767873,6.580451539,1.538225129,1.774429248,1.956126828,2.081434118,1.866626158,0.673748467,0.277502053,0.489656158,6.20E-11,1.52E-42,7.15E-96,6.50E-171,1.14E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,3.583899784,1.259905539,0.480005145,0.673183203,0.236654845,0.46266578,0.494336745,0.404705929,5.323810468,6.840426666,14.33164046,0.509774805,1.361708453,2.980623029,0.681968549,0.142250932,0.78337619,0.179236998,0.320430667,0.146884908,0.035100426,3.804842511,2.55369823,6.647692953,0.675064285,0.502416002,3.220173572,0.910454621,0.277499087,0.730508302,0.206540003,0.373798526,0.259671326,0.135156708,4.408127279,4.078067459,9.299772641,0.595762452,0.76862656,3.568959284,1.245511119,0.471734699,0.675145821,0.23561536,0.458829359,0.483183075,0.390943274,5.286205101,6.716331215,14.09948124,0.512718732,1.332955708,3.326973305,1.01281638,0.337246447,0.711342229,0.216550899,0.398912492,0.320612296,0.199936486,4.677036132,4.83319171,10.64661787,0.567013343,0.919461273,3.630676097,1.304989304,0.505877431,0.667214466,0.239819725,0.474780104,0.530097455,0.449253558,5.441542831,7.234835203,15.073222,0.5008217,1.454131117,3.597864274,1.243664971,0.470530604,0.677301156,0.234121039,0.466329675,0.481927808,0.388917064,5.312059849,6.752625448,14.17009226,0.515951733,1.337174547 +UMLKV0088,L,2-METHYL-2-PENTENE,CCC=C(C)C,C6H12,Olefin (alkene) with single C=C double bond,hexenes,625-27-4,2.457807555,PubChem,,0.3465,0,1.3195,1.74108025,28.913,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,913.087565,683.062635,464.209538,157.477824,18.289152,0,0,2914.106344,3494.423905,4149.471199,3813.952988,2898.117216,1749.84433,559.5073998,0,0,125.864664,123.114164,211.6517,218.7219,228.5426,166.033152,120.932352,0,0,22.06875486,27.30703172,35.0937937,34.19448944,28.05690832,18.69788658,8.003032287,0,0,2979.777961,2471.442353,4779.986516,4922.175239,5572.699569,4056.482397,3328.517736,0,0,33.02777778,39,54.16666667,56.66666667,48,36,18,0,0,48.76541633,50.97680359,30.43625217,22.03427855,14.0669557,6.561576,1.016064,0,0,161.8947969,205.5543474,138.3157066,123.0307416,87.82173382,72.9101804,31.08374443,0,0,6.992481333,7.242009647,7.055056667,7.055545161,6.925533333,6.918048,6.718464,0,0,1.226041937,1.606295984,1.169793123,1.103048046,0.850209343,0.779078607,0.444612905,0,0,165.54322,145.3789619,159.3328839,158.7798464,168.8696839,169.0200999,184.917652,0,0,1.834876543,2.294117647,1.805555556,1.827956989,1.454545455,1.5,1,0,0,0.034016318,6.04E-04,-0.006571439,-0.024765097,0.008528589,-0.006292357,0.011487932,0,0,484.264036,-53.80711511,1.53E-13,-269.0355756,-2.74E-13,-161.4213453,242.132018,0,0,900.5096538,-100.0566282,2.20E-13,-500.283141,-2.63E-13,-300.1698846,450.2548269,0,0,0.094864,-0.010540444,5.72E-16,-0.052702222,-5.63E-16,-0.031621333,0.047432,0,0,4.025697139,-0.447299682,1.33E-15,-2.236498411,-1.33E-15,-1.341899046,2.01284857,0,0,21.86765075,-2.429738973,2.58E-14,-12.14869486,-3.11E-14,-7.289216918,10.93382538,0,0,3.211419753,-1.053069273,1.112139918,-2.668124143,0.987397119,-1.467078189,1.483024691,0,0,0.001889795,3.55E-05,-2.19E-04,-7.99E-04,2.58E-04,-2.62E-04,6.38E-04,0,0,26.90355756,-3.165124418,5.09E-15,-8.678566953,-8.29E-15,-6.725889389,13.45177878,0,0,50.0283141,-5.885684011,7.34E-15,-16.13816584,-7.97E-15,-12.50707852,25.01415705,0,0,0.005270222,-6.20E-04,1.91E-17,-0.001700072,-1.71E-17,-0.001317556,0.002635111,0,0,0.223649841,-0.026311746,4.44E-17,-0.07214511,-4.04E-17,-0.05591246,0.111824921,0,0,1.214869486,-0.142925822,8.59E-16,-0.391893383,-9.42E-16,-0.303717372,0.607434743,0,0,0.178412209,-0.061945251,0.037071331,-0.086068521,0.029921125,-0.061128258,0.082390261,0,0,0.018807272,-0.115910946,-0.422730447,0.136756647,-0.138735405,0.337718277,0,0,-0.117647059,1.89E-16,-0.322580645,-3.08E-16,-0.25,0.5,0,0,-0.117647059,1.47E-16,-0.322580645,-1.59E-16,-0.25,0.5,0,0,-0.117647059,3.62E-15,-0.322580645,-3.24E-15,-0.25,0.5,0,0,-0.117647059,1.99E-16,-0.322580645,-1.81E-16,-0.25,0.5,0,0,-0.117647059,7.07E-16,-0.322580645,-7.75E-16,-0.25,0.5,0,0,-0.347202985,0.207784719,-0.482413852,0.167707833,-0.342623739,0.461797213,0,0,1.284960032,1.309181463,1.642448455,0.670434642,0.78176079,0.004318407,0,0,1.5,1.0625,1.370967742,0.837121212,1.0625,0,0,0,1.5,1.0625,1.370967742,0.837121212,1.0625,0,0,0,1.5,1.0625,1.370967742,0.837121212,1.0625,0,0,0,1.5,1.0625,1.370967742,0.837121212,1.0625,0,0,0,1.5,1.0625,1.370967742,0.837121212,1.0625,0,0,0,1.764536281,0.718068236,1.664925362,0.548075663,1.32340221,0,0,0,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,21.14453912,10.53245474,16.12985288,21.0914527,3.515242116,10.53251867,-0.07962963,0.159026208,0.026504368,-1.103211757,18.92599419,3.154332364,1.764321799,0,11.89,12.11007471,-0.17326705,0.049670123,5.214369888,7.378696616,5,17,16,16,4,1,1,0,0,1,13.118484,3.532959885,2.941834607,2.333552793,2.120755613,1.401922417,0.354682903,0.083923071,0.083923071,1.87177014,1.569635374,1.249629723,1.006050198,0.569007432,0.083923071,0.083923071,0.083923071,3.553546526,2.986235002,2.405454588,2.187757642,1.498877166,0.480315977,0.270913902,0.270913902,1.817909022,1.482975783,1.134540686,0.891919666,0.430272234,0.270913902,0.270913902,0.270913902,3.648008463,3.179027368,2.704236987,2.471606288,1.892477614,0.959218208,0.943918427,0.943918427,1.667637597,1.216833856,0.76031856,0.525715552,0.035522772,0.943918427,0.943918427,0.943918427,3.568923451,3.018851683,2.457539916,2.236638709,1.56863582,0.569019741,0.399277246,0.399277246,1.784308846,1.426769086,1.058262671,0.816632916,0.337249574,0.399277246,0.399277246,0.399277246,3.696339941,3.270769598,2.838982085,2.601986593,2.064456247,1.207644823,1.207644823,1.207644823,1.623463591,1.130673224,0.631337262,0.401629124,0.202022445,1.150770408,1.207644823,1.207644823,3.573162445,3.047259858,2.558732663,2.32544852,1.612346658,0.637303186,0.537313433,0.537313433,1.768167991,1.375024602,0.946792365,0.722269638,0.25543157,0.537313433,0.537313433,0.537313433,0,0,0,1,1,3,1,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.288675135,0,0,0,0.288675135,0.288675135,0,0.204124145,0.204124145,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.78445705,2.404030206,1.689722705,0.612372436,0.40824829,0,0,0,0.797409508,0.480806041,0.337944541,0.204124145,0.204124145,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,2,3,0,1,0,0,0,0,0,0,0,0,3,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.622685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.533680556,0.870833333,0,0.304166667,0,0,0,0,0,0,0,0,6.375,0,1.168981481,0,2.208333333,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.243402778,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.114583333,0,1.168981481,0,2.208333333,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.208333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.290277778,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.145833333,0,1.168981481,0,2.208333333,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.16666667,1.861111111,0.304166667,2.208333333,0.081597222,1.168981481,3.736358796,0.331018519,0.208333333,1.166666667,0.331018519,0.208333333,1.166666667,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.70728,0.78455,5.69868,0.9914,0.16523,2.17869,0.36312,2.77005,0.59135,0.09856,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.94471679,2.821888196,2.821888196,2.590225695,1.895238195,16.52932501,35.00490222,50.79398752,50.79398752,46.62406252,34.11428751,0.220218789,0.46636733,0.676723969,0.676723969,0.621168413,0.454501746,3.251629167,2.225208211,1.348036806,1.348036806,1.579699306,2.274686806,0.220218789,0.46636733,0.676723969,0.676723969,0.621168413,0.454501746,6.73287657,16.01742989,16.90146519,16.90146519,14.12151519,8.328139924,23.69925001,14.79422358,15.1849632,15.1849632,13.7949882,10.7833757,6,3.2,5.333333333,6,2,5,2.12,0.911,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,2.685,5,3,2,0,0,0,0,0,0,21,1.945910149,2.197224577,1.945910149,1.609437912,0,0,0,0,0,0,3.433987204,1.428571429,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,109.6959078,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,84.09390038,4.671883355,10.67917749,1.779862916,0,0,0,32,3,2.836,20,1.206248118,2.085074789,2.980436975,3.67604225,4.557093762,5.535953461,0,0,0,0,71.9300263,74.0400666,73.78557012,61.76560805,33.15695105,5.624883018,0,0,0,0,272.3407276,319.1518733,389.3245204,354.5015315,356.8107853,172.0781626,0,0,0,0,8.769064975,14.78219877,21.07775953,25.54220145,31.64334986,37.19310404,0,0,0,0,2.069931262,2.628452721,3.424111179,3.327649842,3.746666742,2.46135635,0,0,0,0,173.2833818,327.0198891,469.7304694,614.5815044,760.9085267,1023.695516,0,0,0,0,2.867190818,3.979562912,5.580019955,5.582285828,7.129142306,5.535953461,0,0,0,0,0.429390661,0.55422749,0.729336828,0.718377911,0.820560281,0.566881634,0,0,0,0,304.5763606,107.3497341,8.495915012,104.2522796,-36.74433064,-5.87167568,200.324081,144.0940648,14.36759069,0.744997612,0.262578801,0.020781115,0.255002388,-0.089877095,-0.014362193,124.5195393,43.88764583,3.473373381,42.6213177,-15.02213473,-2.400509184,0.16210967,0.242711593,2.660958881,2.70206511,408.8286402,0,1,0,333.0294593,18.24909475,6.931505158,453.2725327,21.29019804,7.681625568,495.632556,22.26280656,7.913828027,1.611622522,1.310018556,335.0380981,276.4306467,71.37293643,1.212015028,4.69418963,3.87304573,3.744897845,3.448664624,6.57003338,0.905094898,4.929051152,4.077956592,1.861468968,10.56830572,5.74102517,6.273393496,3.592295925,5.55721981,6.293158313,2.381919817,2.435457939,1.224992613,1.87E-08,5.50E-38,3.12E-89,3.41E-162,7.21E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,0.413665984,4.070953986,0.151806015,4.873852314,1.17656286,0.333500538,0.551580655,1.182605355,1.227389255,0.03282994,0.066709154,0.008627723,1.32E-10,3.87E-40,2.20E-91,2.40E-164,5.08E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,1.335352362,4.071422022,0.492956947,5.432327205,1.724894525,1.203370225,1.038515823,1.734810828,1.940470688,0.21606497,0.306067844,0.089907527,1.37E-09,4.03E-39,2.29E-90,2.51E-163,5.29E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,4.652622507,4.077187806,1.754035438,10.00606105,5.325967601,5.788560831,3.358832859,5.168864188,5.869494072,2.133301725,2.204071438,1.091446364,1.66E-08,4.90E-38,2.78E-89,3.04E-162,6.42E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,1.968061165,4.072028758,0.729470581,5.995008504,2.215138226,1.902230291,1.412491619,2.215057293,2.525275445,0.429817076,0.54287429,0.195291163,2.98E-09,8.76E-39,4.97E-90,5.44E-163,1.15E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,5.952542,4.081189212,2.262391184,12.89261039,7.431787912,8.206120352,4.510424544,7.131995512,7.990714135,3.421442882,3.390248513,1.786536599,2.73E-08,8.02E-38,4.55E-89,4.98E-162,1.05E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,2.732346353,3.729747885,0.936082257,7.009240643,2.782019299,2.895629498,1.742083178,2.769772974,3.50889955,0.747960682,0.889227294,0.35366238,5.39E-09,1.59E-38,9.01E-90,9.86E-163,2.08E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,4.317196784,1.430336981,0.351843619,0.707809423,0.234505408,0.606754469,0.550672528,0.444440309,6.099377384,8.197279294,16.46930729,0.561714134,1.601867306,3.212687727,0.773691937,0.075851936,0.790867691,0.190459829,0.335831881,0.160886425,0.020656057,4.0622316,2.788005206,7.038776698,0.686301537,0.517374363,3.651329817,1.034523091,0.185466874,0.749556584,0.212370187,0.433889654,0.287853098,0.123494264,4.871319782,4.646455499,10.21835507,0.624334876,0.845237017,4.289849218,1.414083333,0.345010843,0.709189843,0.23377361,0.599084568,0.538215092,0.427345928,6.048943394,8.034122856,16.1759725,0.563784765,1.564645588,3.846865678,1.150771244,0.234326764,0.735262305,0.219950159,0.481649471,0.356270058,0.197132338,5.231963686,5.59794249,11.86723852,0.602893457,1.035051867,4.402815541,1.481221981,0.373235218,0.703631714,0.23672006,0.631083007,0.590594801,0.500125864,6.257272741,8.717677187,17.409021,0.55544757,1.721803673,4.29309861,1.415119604,0.34478854,0.70925059,0.233787878,0.600012432,0.539040911,0.426795397,6.053006754,8.043376231,16.19105888,0.563875885,1.565848741 +UMLKV0089,L,CIS-4-METHYL-2-PENTENE,CC=CC(C)C,C6H12,Olefin (alkene) with single C=C double bond,hexenes,4461-48-7,2.457807555,PubChem,,0.3207,0,1.4802,2.19099204,30.3189,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,924.178589,686.110827,453.118514,154.429632,18.289152,0,0,2914.106344,3494.423905,4233.124071,3907.204221,2814.464344,1656.593096,559.5073998,0,0,125.864664,123.114164,212.050868,238.877292,228.143432,145.87776,120.932352,0,0,22.06875486,27.30703172,35.7627251,35.52832815,27.38797691,17.36404786,8.003032287,0,0,2979.777961,2471.442353,4748.191412,5476.928195,5604.494673,3501.729441,3328.517736,0,0,33.77777778,39.33333333,55,61,49,33,18,0,0,48.76541633,50.97680359,30.80595297,20.17973021,13.73086406,7.353792,1.016064,0,0,161.8947969,205.5543474,141.1041357,114.9177712,85.28679831,78.88538554,31.08374443,0,0,6.992481333,7.242009647,7.068362267,7.025802706,6.913437333,6.94656,6.718464,0,0,1.226041937,1.606295984,1.192090837,1.044950828,0.829938694,0.826859422,0.444612905,0,0,165.54322,145.3789619,158.2730471,161.0861234,169.8331719,166.749021,184.917652,0,0,1.87654321,2.31372549,1.833333333,1.794117647,1.484848485,1.571428571,1,0,0,0.038739543,-0.005318411,-0.006860597,-0.014913254,0.001730692,-0.005514603,0.011506402,0,0,484.264036,-53.80711511,-40.35533633,-228.6802392,40.35533633,-201.7766817,242.132018,0,0,900.5096538,-100.0566282,-75.04247115,-425.2406698,75.04247115,-375.2123557,450.2548269,0,0,0.094864,-0.010540444,-0.007905333,-0.044796889,0.007905333,-0.039526667,0.047432,0,0,4.025697139,-0.447299682,-0.335474762,-1.901023649,0.335474762,-1.677373808,2.01284857,0,0,21.86765075,-2.429738973,-1.822304229,-10.32639063,1.822304229,-9.111521147,10.93382538,0,0,3.530864198,-1.235939643,0.843621399,-1.990397805,0.748971193,-1.711934156,1.580246914,0,0,0.002152197,-3.13E-04,-2.29E-04,-4.39E-04,5.24E-05,-2.63E-04,6.39E-04,0,0,26.90355756,-3.165124418,-1.345177878,-6.725889389,1.22288898,-9.608413413,13.45177878,0,0,50.0283141,-5.885684011,-2.501415705,-12.50707852,2.274014277,-17.86725503,25.01415705,0,0,0.005270222,-6.20E-04,-2.64E-04,-0.001317556,2.40E-04,-0.001882222,0.002635111,0,0,0.223649841,-0.026311746,-0.011182492,-0.05591246,0.010165902,-0.079874943,0.111824921,0,0,1.214869486,-0.142925822,-0.060743474,-0.303717372,0.05522134,-0.433881959,0.607434743,0,0,0.196159122,-0.072702332,0.028120713,-0.058541112,0.022696097,-0.081520674,0.087791495,0,0,-0.145362031,-0.106257271,-0.203803444,0.024368221,-0.122014924,0.297019547,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.370629371,0.143356643,-0.298436857,0.115702479,-0.415584416,0.447552448,0,0,1.427202771,1.144646009,1.403409204,0.873431703,0.847932943,0.002912317,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.762237762,0.82027972,1.384615385,0.68086459,1.375624376,0,0,0,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,23.34439958,11.60275535,17.78940131,23.25180699,3.875301165,11.60277715,-0.138888889,0.120260574,0.020043429,-1.270856665,14.94631712,2.491052853,1.622678954,0,11.89,12.11007471,-0.154954146,0.067228264,5.295743165,7.50302765,5,17,16,16,4,1,1,0,0,1,13.118484,3.517606619,2.973446727,2.333552793,2.144218941,1.212755647,0.714238454,0.083923071,0.083923071,1.876614671,1.562795977,1.249629723,1.006105503,0.454457131,0.242677753,0.083923071,0.083923071,3.540212065,3.013827555,2.405454588,2.210649939,1.314575117,0.85296352,0.270913902,0.270913902,1.821017008,1.479346258,1.134540686,0.896768592,0.306288247,0.074238581,0.270913902,0.270913902,3.642387894,3.191621124,2.704236987,2.48977734,1.731762504,1.391492478,0.943918427,0.943918427,1.66333078,1.226940148,0.76031856,0.542581238,0.191473927,0.513929033,0.943918427,0.943918427,3.557013739,3.043627675,2.457539916,2.258979998,1.388112991,0.95125216,0.399277246,0.399277246,1.786115895,1.425528926,1.058262671,0.824386046,0.206853942,0.040284473,0.399277246,0.399277246,3.693794691,3.277571518,2.838982085,2.616800193,1.915254049,1.615628258,1.207644823,1.207644823,1.616067843,1.146660394,0.631337262,0.421299785,0.368828517,0.734374911,1.207644823,1.207644823,3.556782529,3.083747819,2.546278942,2.343749412,1.420038507,1.048111874,0.529411765,0.529411765,1.788931672,1.355414829,0.958043648,0.730094412,0.145135207,0.155381273,0.529411765,0.529411765,0,0,0,2,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.333333333,0,0,0,0.288675135,0.288675135,0,0.19245009,0.19245009,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.732050808,2.398717474,1.769800359,0.577350269,0.384900179,0,0,0,0.788675135,0.479743495,0.353960072,0.19245009,0.19245009,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,2,0,2,0,0,0,0,0,0,0,0,3,0,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.240740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.632638889,0,0,0.777083333,0.580555556,0,0.632638889,0,0,0,0,0,0,0,0,6.375,0,0,0,4.240740741,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.074074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.243402778,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.041666667,0,0,0,2.074074074,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.328472222,0,0,0.290277778,0.290277778,0,0.328472222,0,0,0,0,0,0,0,0,2.166666667,0,0,0,2.166666667,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.33333333,1.888888889,0.328472222,2.166666667,0.243402778,0.717592593,4.246384259,0.615740741,0.166666667,1.231481481,0.615740741,0.166666667,1.231481481,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.61349,0.76891,5.69868,1.0852,0.18087,2.19337,0.36556,2.77005,0.57668,0.09611,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.99107606,2.821888196,2.821888196,2.521052779,2.006349306,16.52932501,35.83936908,50.79398752,50.79398752,45.37895002,36.11428751,0.220218789,0.477484861,0.676723969,0.676723969,0.604579885,0.481147576,3.251629167,2.178848942,1.348036806,1.348036806,1.648872223,2.163575695,0.220218789,0.477484861,0.676723969,0.676723969,0.604579885,0.481147576,6.73287657,14.84279915,16.90146519,15.68011242,14.051801,8.440120483,23.69925001,16.64860504,15.1849632,16.39047709,13.9585639,10.54227292,6,3.2,5.333333333,6,2,5,2.12,0.911,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,2.48,5,3,2,0,0,0,0,0,0,21,1.945910149,2.079441542,1.945910149,1.609437912,0,0,0,0,0,0,3.401197382,1.380952381,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,109.6959078,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,84.09390038,4.671883355,10.67917749,1.779862916,0,0,0,32,3,3.278,20,1.207794684,2.10036482,2.948003093,3.639091519,4.735685672,5.494137878,0,0,0,0,72.17633959,74.66067283,67.65297076,60.7269147,37.25719279,5.582395709,0,0,0,0,273.0499288,325.3186519,361.4281139,346.315286,391.9190801,170.7783777,0,0,0,0,8.780801115,14.91380468,20.76074191,25.26115137,32.98425082,36.91216755,0,0,0,0,2.074538577,2.682064365,3.216736319,3.255536509,4.062423905,2.442764602,0,0,0,0,173.4748559,327.5348052,471.4230606,610.3556405,782.6991895,1015.963076,0,0,0,0,2.885111092,4.051427524,5.43085876,5.676716563,7.661063263,5.494137878,0,0,0,0,0.430317217,0.565459048,0.686939388,0.703156282,0.887466169,0.562599719,0,0,0,0,288.3387771,106.7452645,8.473429432,60.97893518,-22.57487748,-3.826461673,227.359842,129.320142,12.29989111,0.825434173,0.30558217,0.024257085,0.174565827,-0.064625631,-0.010954101,100.721842,37.28801161,2.959918985,21.30102214,-7.885804557,-1.336650838,0.154365035,0.245231668,2.366505438,3.416506931,349.3177123,0,1,0,330.8340945,18.18884533,6.916240499,451.1332951,21.23989866,7.669521929,493.4672534,22.21412284,7.90228665,1.96199529,1.96199529,328.4461309,281.4173805,70.50732516,1.16711388,4.658326354,3.991321183,3.736048751,3.46097307,6.770795042,0.956326994,4.953947734,3.899852761,1.92871211,11.86029874,5.941191611,5.122614481,2.495768738,6.344384449,6.279034042,1.189859077,3.698396152,7.10E-04,0.00522923,8.07E-24,2.40E-66,1.38E-130,1.53E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,0.41575736,3.894198766,0.157855701,5.046907698,0.618290748,0.348852379,0.546343059,1.01338846,1.154290442,0.080802386,0.096799326,5.00E-06,3.68E-05,5.68E-26,1.69E-68,9.71E-133,1.08E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,1.342098766,3.894576685,0.51221826,5.55540106,1.116731401,1.178970503,0.914353527,1.479951965,1.769642886,0.273395334,0.453214919,5.21E-05,3.84E-04,5.92E-25,1.76E-67,1.01E-131,1.12E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,4.676122971,3.89923204,1.817787333,11.13107169,5.40728531,4.779316621,2.365845526,5.798120931,5.812927511,1.110009933,3.343920796,6.33E-04,0.00465915,7.19E-24,2.14E-66,1.23E-130,1.36E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,1.978003101,3.895066579,0.757587259,6.166428555,1.633507486,1.79166875,1.175861739,1.984801,2.319951835,0.415637058,0.810340905,1.13E-04,8.34E-04,1.29E-24,3.83E-67,2.20E-131,2.43E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,5.98260778,3.902462785,2.342271337,14.91468271,8.154222537,6.451657154,2.988829582,8.616636588,8.177825281,1.499076805,5.162992356,0.001035995,0.00762634,1.18E-23,3.50E-66,2.01E-130,2.23E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,2.705323043,3.314505471,1.019809523,7.251465761,2.397316212,2.575024477,1.412425458,2.759497054,3.166747399,0.59751491,1.294508225,1.99E-04,0.001465632,2.26E-24,6.73E-67,3.86E-131,4.28E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,4.251512247,1.293639657,0.465449513,0.707335581,0.215226326,0.554068772,0.489193217,0.315753592,6.010601418,8.080913102,16.65145186,0.561003372,1.35901558,3.210623347,0.699052017,0.141863002,0.7924455,0.172539898,0.316085625,0.141774449,0.029175468,4.051538366,2.79903101,7.168965666,0.68866825,0.487035542,3.624009473,0.934381116,0.271224033,0.750372391,0.193469084,0.40265451,0.25382962,0.107123589,4.829614621,4.622551092,10.37058616,0.625558587,0.763607718,4.225740871,1.278852359,0.457507307,0.708767127,0.214496946,0.547375204,0.477962087,0.305080347,5.962100537,7.922490305,16.35700548,0.563150691,1.330417638,3.808282451,1.039682515,0.328470267,0.735695953,0.20084913,0.444617133,0.314731627,0.157231036,5.176435233,5.551817023,12.02879897,0.603543929,0.916579796,4.332196046,1.339949087,0.490299595,0.702999578,0.217437908,0.575287788,0.525225845,0.350323233,6.162444729,8.585972601,17.5945683,0.554499368,1.450836867,4.229420584,1.279457721,0.45682909,0.708955419,0.214468735,0.548338869,0.478394245,0.304124092,5.965707396,7.927980688,16.36575695,0.563433128,1.330857206 +UMLKV0090,L,TRANS-4-METHYL-2-PENTENE,CC=CC(C)C,C6H12,Olefin (alkene) with single C=C double bond,hexenes,4461-48-7,2.457807555,PubChem,,0.3209,0,1.4802,2.19099204,30.3189,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,924.178589,686.110827,453.118514,154.429632,18.289152,0,0,2914.106344,3494.423905,4233.124071,3907.204221,2814.464344,1656.593096,559.5073998,0,0,125.864664,123.114164,212.050868,238.877292,228.143432,145.87776,120.932352,0,0,22.06875486,27.30703172,35.7627251,35.52832815,27.38797691,17.36404786,8.003032287,0,0,2979.777961,2471.442353,4748.191412,5476.928195,5604.494673,3501.729441,3328.517736,0,0,33.77777778,39.33333333,55,61,49,33,18,0,0,48.76541633,50.97680359,30.80595297,20.17973021,13.73086406,7.353792,1.016064,0,0,161.8947969,205.5543474,141.1041357,114.9177712,85.28679831,78.88538554,31.08374443,0,0,6.992481333,7.242009647,7.068362267,7.025802706,6.913437333,6.94656,6.718464,0,0,1.226041937,1.606295984,1.192090837,1.044950828,0.829938694,0.826859422,0.444612905,0,0,165.54322,145.3789619,158.2730471,161.0861234,169.8331719,166.749021,184.917652,0,0,1.87654321,2.31372549,1.833333333,1.794117647,1.484848485,1.571428571,1,0,0,0.038739543,-0.005318411,-0.006860597,-0.014913254,0.001730692,-0.005514603,0.011506402,0,0,484.264036,-53.80711511,-40.35533633,-228.6802392,40.35533633,-201.7766817,242.132018,0,0,900.5096538,-100.0566282,-75.04247115,-425.2406698,75.04247115,-375.2123557,450.2548269,0,0,0.094864,-0.010540444,-0.007905333,-0.044796889,0.007905333,-0.039526667,0.047432,0,0,4.025697139,-0.447299682,-0.335474762,-1.901023649,0.335474762,-1.677373808,2.01284857,0,0,21.86765075,-2.429738973,-1.822304229,-10.32639063,1.822304229,-9.111521147,10.93382538,0,0,3.530864198,-1.235939643,0.843621399,-1.990397805,0.748971193,-1.711934156,1.580246914,0,0,0.002152197,-3.13E-04,-2.29E-04,-4.39E-04,5.24E-05,-2.63E-04,6.39E-04,0,0,26.90355756,-3.165124418,-1.345177878,-6.725889389,1.22288898,-9.608413413,13.45177878,0,0,50.0283141,-5.885684011,-2.501415705,-12.50707852,2.274014277,-17.86725503,25.01415705,0,0,0.005270222,-6.20E-04,-2.64E-04,-0.001317556,2.40E-04,-0.001882222,0.002635111,0,0,0.223649841,-0.026311746,-0.011182492,-0.05591246,0.010165902,-0.079874943,0.111824921,0,0,1.214869486,-0.142925822,-0.060743474,-0.303717372,0.05522134,-0.433881959,0.607434743,0,0,0.196159122,-0.072702332,0.028120713,-0.058541112,0.022696097,-0.081520674,0.087791495,0,0,-0.145362031,-0.106257271,-0.203803444,0.024368221,-0.122014924,0.297019547,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.370629371,0.143356643,-0.298436857,0.115702479,-0.415584416,0.447552448,0,0,1.427202771,1.144646009,1.403409204,0.873431703,0.847932943,0.002912317,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.762237762,0.82027972,1.384615385,0.68086459,1.375624376,0,0,0,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,23.34439958,11.60275535,17.78940131,23.25180699,3.875301165,11.60277715,-0.138888889,0.120260574,0.020043429,-1.270856665,14.94631712,2.491052853,1.622678954,0,11.89,12.11007471,-0.154954146,0.067228264,5.295743165,7.50302765,5,17,16,16,4,1,1,0,0,1,13.118484,3.517606619,2.973446727,2.333552793,2.144218941,1.212755647,0.714238454,0.083923071,0.083923071,1.876614671,1.562795977,1.249629723,1.006105503,0.454457131,0.242677753,0.083923071,0.083923071,3.540212065,3.013827555,2.405454588,2.210649939,1.314575117,0.85296352,0.270913902,0.270913902,1.821017008,1.479346258,1.134540686,0.896768592,0.306288247,0.074238581,0.270913902,0.270913902,3.642387894,3.191621124,2.704236987,2.48977734,1.731762504,1.391492478,0.943918427,0.943918427,1.66333078,1.226940148,0.76031856,0.542581238,0.191473927,0.513929033,0.943918427,0.943918427,3.557013739,3.043627675,2.457539916,2.258979998,1.388112991,0.95125216,0.399277246,0.399277246,1.786115895,1.425528926,1.058262671,0.824386046,0.206853942,0.040284473,0.399277246,0.399277246,3.693794691,3.277571518,2.838982085,2.616800193,1.915254049,1.615628258,1.207644823,1.207644823,1.616067843,1.146660394,0.631337262,0.421299785,0.368828517,0.734374911,1.207644823,1.207644823,3.556782529,3.083747819,2.546278942,2.343749412,1.420038507,1.048111874,0.529411765,0.529411765,1.788931672,1.355414829,0.958043648,0.730094412,0.145135207,0.155381273,0.529411765,0.529411765,0,0,0,2,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.333333333,0,0,0,0.288675135,0.288675135,0,0.19245009,0.19245009,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.732050808,2.398717474,1.769800359,0.577350269,0.384900179,0,0,0,0.788675135,0.479743495,0.353960072,0.19245009,0.19245009,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,2,0,2,0,0,0,0,0,0,0,0,3,0,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.240740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.632638889,0,0,0.777083333,0.580555556,0,0.632638889,0,0,0,0,0,0,0,0,6.375,0,0,0,4.240740741,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.074074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.243402778,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.041666667,0,0,0,2.074074074,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.328472222,0,0,0.290277778,0.290277778,0,0.328472222,0,0,0,0,0,0,0,0,2.166666667,0,0,0,2.166666667,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.33333333,1.888888889,0.328472222,2.166666667,0.243402778,0.717592593,4.246384259,0.615740741,0.166666667,1.231481481,0.615740741,0.166666667,1.231481481,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.61349,0.76891,5.69868,1.0852,0.18087,2.19337,0.36556,2.77005,0.57668,0.09611,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.99107606,2.821888196,2.821888196,2.521052779,2.006349306,16.52932501,35.83936908,50.79398752,50.79398752,45.37895002,36.11428751,0.220218789,0.477484861,0.676723969,0.676723969,0.604579885,0.481147576,3.251629167,2.178848942,1.348036806,1.348036806,1.648872223,2.163575695,0.220218789,0.477484861,0.676723969,0.676723969,0.604579885,0.481147576,6.73287657,14.84279915,16.90146519,15.68011242,14.051801,8.440120483,23.69925001,16.64860504,15.1849632,16.39047709,13.9585639,10.54227292,6,3.2,5.333333333,6,2,5,2.12,0.911,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,2.48,5,3,2,0,0,0,0,0,0,21,1.945910149,2.079441542,1.945910149,1.609437912,0,0,0,0,0,0,3.401197382,1.380952381,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,109.6959078,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,84.09390038,4.671883355,10.67917749,1.779862916,0,0,0,32,3,3.278,20,1.207784033,2.100357891,2.94798578,3.639066461,4.735664884,5.494116176,0,0,0,0,72.1771072,74.66052614,67.65289459,60.72674363,37.25705497,5.582373658,0,0,0,0,273.0508015,325.3180758,361.4266391,346.314018,391.9175538,170.7777031,0,0,0,0,8.780728171,14.91375747,20.76062037,25.26098161,32.98410696,36.91202174,0,0,0,0,2.074538082,2.682059199,3.21672056,3.255522159,4.062407624,2.442754952,0,0,0,0,173.4730463,327.5335694,471.4202807,610.3511121,782.6956801,1015.959063,0,0,0,0,2.885104919,4.051419391,5.430831674,5.676688692,7.661031953,5.494116176,0,0,0,0,0.430316849,0.565457932,0.686935941,0.703153076,0.887462593,0.562597496,0,0,0,0,288.3166551,106.7370748,8.463960231,61.356319,-22.71458791,-3.838168521,226.9603361,129.4516627,12.30212875,0.824532281,0.305248283,0.02420536,0.175467719,-0.064959518,-0.010976452,100.8165423,37.32307038,2.959618146,21.45464654,-7.942677511,-1.342103802,0.154365035,0.245231668,2.346016213,3.3702337,349.6729741,0,1,0,330.8209785,18.18848478,6.916149099,451.1256248,21.2397181,7.669478463,493.4546129,22.21383832,7.902219175,1.968008211,1.968008211,328.4445462,281.4167256,70.50763578,1.167110965,4.658283355,3.991294312,3.736047041,3.460885206,6.770845302,0.956391183,4.95626145,3.900039547,1.928377307,11.86078124,5.940852639,5.122209102,2.495407213,6.344017346,6.28039727,1.190120744,3.699825777,7.09E-04,0.00524129,8.13E-24,2.43E-66,1.40E-130,1.56E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,0.415951487,3.89437822,0.157831243,5.04694692,0.618252644,0.34880176,0.546105298,1.013262491,1.154327279,0.080846873,0.096827573,4.99E-06,3.69E-05,5.73E-26,1.71E-68,9.88E-133,1.10E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,1.342725546,3.894756629,0.512136908,5.555470501,1.116656768,1.178819997,0.914161336,1.479787944,1.769880203,0.273524101,0.453366548,5.20E-05,3.85E-04,5.97E-25,1.78E-67,1.03E-131,1.15E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,4.678306927,3.899418021,1.817473812,11.13150573,5.40697356,4.778923241,2.365516636,5.797772542,5.814184681,1.110272437,3.345207083,6.31E-04,0.004669895,7.24E-24,2.17E-66,1.25E-130,1.39E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,1.978926884,3.895247158,0.757464935,6.166536635,1.633400388,1.791457833,1.175679799,1.984607542,2.320347638,0.415811819,0.810625531,1.13E-04,8.36E-04,1.30E-24,3.88E-67,2.24E-131,2.49E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,5.985401938,3.902652956,2.341855142,14.91536883,8.153772778,6.451218382,2.988318771,8.616195713,8.179609418,1.499319325,5.165018039,0.001033384,0.007643929,1.19E-23,3.55E-66,2.05E-130,2.28E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,2.706521077,3.314743058,1.019620155,7.251619188,2.397163486,2.574740085,1.41232604,2.759230072,3.167343891,0.597743717,1.294975186,1.99E-04,0.001469012,2.28E-24,6.81E-67,3.93E-131,4.38E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,4.251482212,1.293606086,0.465452914,0.707337669,0.215222896,0.554067117,0.489205242,0.31575357,6.010541213,8.080720774,16.65113352,0.561006504,1.359025928,3.210607764,0.699047994,0.141871556,0.792443816,0.172539376,0.31608608,0.141784091,0.029179184,4.051527314,2.799037862,7.168977285,0.688665724,0.487049355,3.623988186,0.934365772,0.271230089,0.750372734,0.193467131,0.402654275,0.253841279,0.107127854,4.829584047,4.622493269,10.3704978,0.625559101,0.763623408,4.225711196,1.278819552,0.4575108,0.708769163,0.214493566,0.547373616,0.477974166,0.305080613,5.962041548,7.922304364,16.35669863,0.563153744,1.330428396,3.808258606,1.039661916,0.328475435,0.735696928,0.200846675,0.444616529,0.314743752,0.157234656,5.176395957,5.551724244,12.02865347,0.603545393,0.916594937,4.332164879,1.339913116,0.490302718,0.703001824,0.217434329,0.575285917,0.525237658,0.350322248,6.162380713,8.5857598,17.59421273,0.554502735,1.450845823,4.229391043,1.279424967,0.456832543,0.70895746,0.21446536,0.548337319,0.478406373,0.304124346,5.965648553,7.927794922,16.36545047,0.563436189,1.330868038 +UMLKV0091,L,2-ETHYL-1-BUTENE,CCC(=C)CC,C6H12,Olefin (alkene) with single C=C double bond,hexenes,760-21-4,2.457522674,PubChem,,0.3448,0,1.1257,1.26720049,29.6281,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,924.178589,807.176836,398.598649,97.028064,9.144576,0,0,2914.106344,3494.423905,4233.124071,4132.331635,3091.254162,1434.429565,279.7536999,0,0,125.864664,123.114164,212.050868,238.901008,230.514724,203.948928,60.466176,0,0,22.06875486,27.30703172,35.7627251,36.53475244,30.39514106,17.35197558,4.001516144,0,0,2979.777961,2471.442353,4748.191412,5482.395107,5408.257135,5356.758935,1664.258868,0,0,36.27777778,40,53.91666667,64,59,36,9,0,0,48.76541633,50.97680359,30.80595297,23.74049518,12.07874694,3.2342688,1.016064,0,0,161.8947969,205.5543474,141.1041357,121.5391657,93.67436856,47.81431882,31.08374443,0,0,6.992481333,7.242009647,7.068362267,7.026500235,6.985294667,6.7982976,6.718464,0,0,1.226041937,1.606295984,1.192090837,1.074551542,0.921064881,0.578399186,0.444612905,0,0,165.54322,145.3789619,158.2730471,161.2469149,163.8865798,178.5586312,184.917652,0,0,2.015432099,2.352941176,1.797222222,1.882352941,1.787878788,1.2,1,0,0,0.038592396,-0.00617557,-0.00451563,-0.009604246,-0.018787068,0.014909591,0.004876724,0,0,484.264036,-53.80711511,-40.35533633,-107.6142302,-322.8426907,161.4213453,121.066009,0,0,900.5096538,-100.0566282,-75.04247115,-200.1132564,-600.3397692,300.1698846,225.1274134,0,0,0.094864,-0.010540444,-0.007905333,-0.021080889,-0.063242667,0.031621333,0.023716,0,0,4.025697139,-0.447299682,-0.335474762,-0.894599364,-2.683798093,1.341899046,1.006424285,0,0,21.86765075,-2.429738973,-1.822304229,-4.859477945,-14.57843384,7.289216918,5.466912688,0,0,5.160493827,-1.611454047,0.155349794,0.499314129,-3.599794239,1.08436214,0.891975309,0,0,0.002144022,-3.63E-04,-1.51E-04,-2.82E-04,-5.69E-04,4.97E-04,5.42E-04,0,0,26.90355756,-3.165124418,-1.345177878,-3.165124418,-9.783111838,5.380711511,13.45177878,0,0,50.0283141,-5.885684011,-2.501415705,-5.885684011,-18.19211422,10.00566282,25.01415705,0,0,0.005270222,-6.20E-04,-2.64E-04,-6.20E-04,-0.001916444,0.001054044,0.002635111,0,0,0.223649841,-0.026311746,-0.011182492,-0.026311746,-0.081327215,0.044729968,0.111824921,0,0,1.214869486,-0.142925822,-0.060743474,-0.142925822,-0.441770722,0.242973897,0.607434743,0,0,0.286694102,-0.094791415,0.005178326,0.01468571,-0.109084674,0.036145405,0.099108368,0,0,-0.169433346,-0.070204963,-0.131751361,-0.26553137,0.231800966,0.252729809,0,0,-0.117647059,-0.05,-0.117647059,-0.363636364,0.2,0.5,0,0,-0.117647059,-0.05,-0.117647059,-0.363636364,0.2,0.5,0,0,-0.117647059,-0.05,-0.117647059,-0.363636364,0.2,0.5,0,0,-0.117647059,-0.05,-0.117647059,-0.363636364,0.2,0.5,0,0,-0.117647059,-0.05,-0.117647059,-0.363636364,0.2,0.5,0,0,-0.330636082,0.018062201,0.051224317,-0.380491518,0.126076555,0.34569378,0,0,1.459660835,1.055742681,1.176552807,1.34679953,0.402210182,0,0,0,1.5,1.133333333,1.125,1.287878788,0.425,0,0,0,1.5,1.133333333,1.125,1.287878788,0.425,0,0,0,1.5,1.133333333,1.125,1.287878788,0.425,0,0,0,1.5,1.133333333,1.125,1.287878788,0.425,0,0,0,1.5,1.133333333,1.125,1.287878788,0.425,0,0,0,1.679425837,0.707655502,1.122308612,1.672085689,0.329425837,0,0,0,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,27.25284414,13.45049614,21.08763991,27.01827624,4.50304604,13.45049955,-0.351851852,2.22E-16,3.70E-17,-21.62619203,3000004.126,500000.6876,8.948474533,0,11.89,12.11007471,-0.159022962,0.062659336,5.366457677,7.685504018,5,17,16,16,4,1,1,0,0,1,13.118484,3.524328477,2.902564078,2.573034865,1.726226086,1.598026915,0.406593768,0.083923071,0.083923071,1.876003719,1.563026335,1.280443227,0.821967038,0.769718516,0.083923071,0.083923071,0.083923071,3.546132746,2.950308951,2.624263942,1.814059153,1.695309721,0.522690739,0.270913902,0.270913902,1.820965457,1.473453684,1.185260743,0.688178674,0.630337185,0.270913902,0.270913902,0.270913902,3.645373871,3.155598408,2.844992109,2.177235683,2.090117344,0.962616277,0.943918427,0.943918427,1.665838607,1.195492746,0.887865308,0.244758745,0.162386152,0.943918427,0.943918427,0.943918427,3.562376937,2.985267979,2.661820526,1.877656929,1.765276817,0.60441669,0.399277246,0.399277246,1.786494477,1.415133181,1.123102496,0.598842374,0.536857124,0.399277246,0.399277246,0.399277246,3.695672244,3.252217518,2.948765265,2.339024069,2.26277616,1.207644823,1.207644823,1.207644823,1.619710405,1.104407163,0.789944771,0.089099207,0.004703131,1.138227275,1.207644823,1.207644823,3.58984967,2.971222913,2.834627776,1.949815258,1.766170271,0.630759933,0.514285714,0.514285714,1.809181693,1.408678168,0.962193962,0.500143587,0.49081984,0.514285714,0.514285714,0.514285714,0,0,1,0,1,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.176776695,0,0,0,0.577350269,0.288675135,0,0.353553391,0.176776695,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.621320344,2.474873734,1.457106781,1,0.25,0,0,0,0.770220057,0.494974747,0.291421356,0.25,0.25,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,29,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,2,1,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.134259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,1.067361111,0.580555556,0,0.363194444,0,0,0,0,0,0,0,0,4.261574074,3.791666667,2.270833333,0,0,0,0,0,0,1.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.243402778,0.290277778,0,0.363194444,0,0,0,0,0,0,0,0,2.130787037,3.791666667,1.135416667,0,0,0,0,0,0,1.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.791666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.290277778,0.290277778,0,0.363194444,0,0,0,0,0,0,0,0,2.130787037,3.791666667,1.135416667,0,0,0,0,0,0,1.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.66666667,1.944444444,0.363194444,3.791666667,0.069444444,1.135416667,3.951986111,0.364583333,0.791666667,2.106481481,0.364583333,0.791666667,2.106481481,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.51663,0.75277,5.73058,1.21395,0.20232,2.30487,0.38414,2.80805,0.50319,0.08386,0.10595,0.01766,0.10595,0.01766,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.99107606,2.530493057,2.530493057,2.298830557,1.714954168,16.52932501,35.83936908,45.54887502,45.54887502,41.37895002,30.86917502,0.220218789,0.477484861,0.606843782,0.606843782,0.551288226,0.411267389,3.251629167,2.178848942,1.639431945,1.639431945,1.871094445,2.454970834,0.220218789,0.477484861,0.606843782,0.606843782,0.551288226,0.411267389,6.73287657,14.84279915,15.3864371,15.3864371,12.6064871,5.599970433,23.69925001,16.64860504,17.03625834,17.03625834,15.64628334,10.02974167,6,3.2,3,6,2,5,2.12,0.911,0.908560296,3.301927249,1.889881575,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.104,0.088,0.143,0.175,2.638,5,4,1,0,0,0,0,0,0,21,1.945910149,2.079441542,1.945910149,0.693147181,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,0,109.6959078,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,84.09390038,4.671883355,10.6758508,1.779308466,0,0,0,31,4,2.776,20,1.218176471,2.110641632,2.920231743,3.624818665,4.20956433,5.623149321,0,0,0,0,72.09694811,74.21656545,75.97776173,49.50282651,15.99596024,5.713479591,0,0,0,0,273.7619267,324.0813406,375.3190545,355.723339,219.2366275,174.7885364,0,0,0,0,8.854038609,14.97827854,20.57089328,25.35640978,28.70356723,37.77892628,0,0,0,0,2.083499297,2.676344453,3.266703144,3.436886715,2.578419397,2.500124754,0,0,0,0,175.1053983,329.7792162,467.0637944,591.481282,744.8280519,1039.819569,0,0,0,0,2.938117647,3.966175231,5.615582318,6.433007096,5.266164105,5.623149321,0,0,0,0,0.432308382,0.564455092,0.695362332,0.743339458,0.576447516,0.57581049,0,0,0,0,308.2486206,113.8802649,9.015344379,159.0987277,-58.77789566,-9.107771696,149.1498928,172.6581606,18.12311607,0.659570706,0.243673716,0.019290458,0.340429294,-0.125769186,-0.019488228,144.0591754,53.22163982,4.213297289,74.35436853,-27.46969368,-4.256492951,0.144650191,0.269229561,1.798376679,6.536451906,467.3473483,0,1,0,333.2330094,18.25467089,6.932917066,449.9020669,21.21089501,7.66253838,514.0541254,22.67276175,8.010684294,1.682558449,1.124205624,294.7152142,246.294061,61.82131638,1.196598948,4.767210268,3.983966622,3.510778589,3.19886722,6.397722307,0.999996207,3.510447354,3.996750848,4.017106173,5.615814589,7.850417139,8.673690574,2.412820275,10.26977523,3.620016362,1.876015069,0.361832119,0.702631956,3.53E-16,3.42E-53,6.38E-112,2.30E-192,1.60E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0.294594214,3.965537576,0.274083254,4.45981182,0.082938217,0.487493333,0.350381861,0.398762729,0.535396876,0.119964441,0.002548457,0.004948694,2.48E-18,2.41E-55,4.49E-114,1.62E-194,1.12E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0.950975814,3.96762373,0.926316058,4.639615374,0.646110938,1.732105226,0.594040483,1.592409945,0.741517736,0.411954175,0.026556542,0.05156921,2.59E-17,2.51E-54,4.68E-113,1.69E-193,1.17E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,3.313560064,3.993324053,3.748410572,5.525176936,7.013229274,8.021703459,2.223826137,9.374952516,3.281352328,1.745000398,0.322385933,0.626032423,3.14E-16,3.04E-53,5.69E-112,2.05E-192,1.42E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,1.401573849,3.970328157,1.407248562,4.779720316,1.336263876,2.713089012,0.813957148,2.655653566,1.008763835,0.632128622,0.057684251,0.112015216,5.62E-17,5.45E-54,1.02E-112,3.66E-193,2.55E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,4.239449476,4.011159963,5.056871571,5.973963637,11.36079426,11.25896606,3.183809264,13.9127719,5.044052832,2.387797846,0.527697998,1.024722673,5.14E-16,4.98E-53,9.31E-112,3.35E-192,2.33E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,1.900077255,2.927536004,2.057643692,4.710755695,2.17420155,4.473097078,0.911728357,3.311775594,1.364919054,0.863443477,0.095701053,0.185838983,9.33E-17,9.04E-54,1.69E-112,6.08E-193,4.22E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,3.899956611,1.18020692,0.369336683,0.715653997,0.216571589,0.568424556,0.508858724,0.444427299,5.449500214,6.479046528,13.62851329,0.573480996,1.521710579,2.848940616,0.655480827,0.079623165,0.794895412,0.182888579,0.303333289,0.156964303,0.020655452,3.584044607,2.146459076,5.879194047,0.692343118,0.480953044,3.266370054,0.863884999,0.194687971,0.75524002,0.199744828,0.398734718,0.272642011,0.123490649,4.324943023,3.625879064,8.500186391,0.632860029,0.794867378,3.873936416,1.16721618,0.362164193,0.716955264,0.216018462,0.560864894,0.497718186,0.427333418,5.403316789,6.347446226,13.38836855,0.575432896,1.485916498,3.452435536,0.956779316,0.24597709,0.741631189,0.205529509,0.445455614,0.334429414,0.197126567,4.655191943,4.387784752,9.855492872,0.612446784,0.977011595,3.981418893,1.220877457,0.391791836,0.711719008,0.218244228,0.592419065,0.544534074,0.500111225,5.594088186,6.899041813,14.39756138,0.567578512,1.637064364,3.868795597,1.170552395,0.361546704,0.716324945,0.216733053,0.559377316,0.500567475,0.425877455,5.400894696,6.350587608,13.38879281,0.574487418,1.485822246 +UMLKV0092,L,"2,3-DIMETHYL-1-BUTENE",CC(C)C(=C)C,C6H12,Olefin (alkene) with single C=C double bond,hexenes,563-78-0,2.444401088,PubChem,,0.3473,0,1.7268,2.98183824,28.697,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,1045.244598,873.72298,286.677216,30.48192,0,0,0,2914.106344,3494.423905,4458.251484,4634.248866,3145.880449,932.5123329,0,0,0,125.864664,123.114164,212.074584,241.296016,290.957184,201.55392,0,0,0,22.06875486,27.30703172,36.76914939,40.54834087,33.39023292,13.33838715,0,0,0,2979.777961,2471.442353,4753.658325,5291.624482,7067.04909,5547.529561,0,0,0,37.55555556,41.22222222,55.33333333,72.66666667,70,30,0,0,0,48.76541633,50.97680359,34.8414866,25.69773471,6.825648,1.016064,0,0,0,161.8947969,205.5543474,148.6083828,136.3014372,74.90191545,31.08374443,0,0,0,6.992481333,7.242009647,7.0691528,7.096941647,6.927552,6.718464,0,0,0,1.226041937,1.606295984,1.225638313,1.192598261,0.795005546,0.444612905,0,0,0,165.54322,145.3789619,158.4552775,155.6360142,168.2630736,184.917652,0,0,0,2.086419753,2.424836601,1.844444444,2.137254902,1.666666667,1,0,0,0,0.037845127,-0.007313313,0.004195443,-0.020193286,-0.022327019,0.026715611,0,0,0,484.264036,-53.80711511,80.71067267,-349.7462482,-322.8426907,403.5533633,0,0,0,900.5096538,-100.0566282,150.0849423,-650.3680833,-600.3397692,750.4247115,0,0,0,0.094864,-0.010540444,0.015810667,-0.068512889,-0.063242667,0.079053333,0,0,0,4.025697139,-0.447299682,0.670949523,-2.907447934,-2.683798093,3.354747616,0,0,0,21.86765075,-2.429738973,3.644608459,-15.79330332,-14.57843384,18.22304229,0,0,0,5.555555556,-2.333333333,2,-1.111111111,-4.666666667,3.333333333,0,0,0,0.002102507,-4.30E-04,1.40E-04,-5.94E-04,-5.32E-04,8.91E-04,0,0,0,26.90355756,-3.165124418,2.690355756,-10.28665436,-7.68673073,13.45177878,0,0,0,50.0283141,-5.885684011,5.00283141,-19.12847304,-14.29380403,25.01415705,0,0,0,0.005270222,-6.20E-04,5.27E-04,-0.002015085,-0.001505778,0.002635111,0,0,0,0.223649841,-0.026311746,0.022364984,-0.085513175,-0.063899955,0.111824921,0,0,0,1.214869486,-0.142925822,0.121486949,-0.464508921,-0.347105568,0.607434743,0,0,0,0.308641975,-0.137254902,0.066666667,-0.032679739,-0.111111111,0.111111111,0,0,0,-0.204610432,0.066514929,-0.28248189,-0.252838951,0.423551655,0,0,0,-0.117647059,0.1,-0.382352941,-0.285714286,0.5,0,0,0,-0.117647059,0.1,-0.382352941,-0.285714286,0.5,0,0,0,-0.117647059,0.1,-0.382352941,-0.285714286,0.5,0,0,0,-0.117647059,0.1,-0.382352941,-0.285714286,0.5,0,0,0,-0.117647059,0.1,-0.382352941,-0.285714286,0.5,0,0,0,-0.444705882,0.216,-0.105882353,-0.36,0.36,0,0,0,1.490488958,0.90413532,1.442505656,1.167157836,0.082393556,0,0,0,1.5,0.991666667,1.5,1.113095238,0,0,0,0,1.5,0.991666667,1.5,1.113095238,0,0,0,0,1.5,0.991666667,1.5,1.113095238,0,0,0,0,1.5,0.991666667,1.5,1.113095238,0,0,0,0,1.5,0.991666667,1.5,1.113095238,0,0,0,0,1.8,0.498666667,1.36,1.457142857,0,0,0,0,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,27.35121281,13.49227307,20.7392081,27.10676837,4.517794728,13.49227607,-0.366666667,0.121228414,0.020204736,-1.266047278,14.2004966,2.366749433,1.591966161,0,11.89,12.11007471,-0.171717965,0.050870917,5.799201109,7.822760625,5,17,16,16,4,1,1,0,0,1,13.118484,3.54688642,2.882741093,2.333552793,2.225633185,1.311576857,0.377869599,0.083923071,0.083923071,1.888164914,1.504295285,1.249629723,1.113576313,0.502978359,0.083923071,0.083923071,0.083923071,3.567872114,2.925735049,2.405454588,2.294583306,1.408670279,0.499309956,0.270913902,0.270913902,1.83436842,1.417106347,1.134540686,1.001341106,0.359699224,0.270913902,0.270913902,0.270913902,3.663676216,3.11439833,2.704236987,2.582939642,1.807291365,0.960747317,0.943918427,0.943918427,1.683492613,1.151735752,0.76031856,0.637314864,0.119164066,0.943918427,0.943918427,0.943918427,3.583520973,2.957433039,2.457539916,2.344653769,1.478828883,0.584911008,0.399277246,0.399277246,1.800743558,1.360737634,1.058262671,0.927013719,0.263743778,0.399277246,0.399277246,0.399277246,3.712418321,3.205173364,2.838982085,2.713681341,1.983213056,1.207644823,1.207644823,1.207644823,1.638855195,1.066797447,0.631337262,0.512357958,0.288976647,1.145127163,1.207644823,1.207644823,3.584776845,3.006353795,2.5,2.5,1.463021768,0.601457103,0.5,0.5,1.845134323,1.305468963,1,0.761471008,0.243535217,0.5,0.5,0.5,0,0,1,0,1,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.666666667,0,0.333333333,0,0.49279928,0,0.204124145,0,1.333333333,0,0,0.90104757,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,4.78445705,2.296929064,2.001053209,0.98559856,0,0,0,0,0.797409508,0.459385813,0.333508868,0.24639964,0,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,24,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,3,2,0,1,0,0,0,0,0,0,0,0,3,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.013888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.777083333,0.580555556,0,0.363194444,0,0,0,0,0,0,0,0,6.328703704,3.75462963,0,0,0,0,0.657407407,0,0,1.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.243402778,0.290277778,0,0.363194444,0,0,0,0,0,0,0,0,2.046296296,3.75462963,0,0,0,0,0.657407407,0,0,1.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.75462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.290277778,0.290277778,0,0.363194444,0,0,0,0,0,0,0,0,2.141203704,3.75462963,0,0,0,0,0.657407407,0,0,1.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,2,0.363194444,3.75462963,0.069444444,0.657407407,4.029814815,0.675925926,0.75462963,2.166666667,0.675925926,0.75462963,2.166666667,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.66667,0.33333,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.86109,0.81018,6.13075,1.26965,0.21161,2.1183,0.35305,2.64272,0.52442,0.0874,0.27128,0.04521,0.27128,0.04521,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.102187171,2.821888196,2.821888196,2.358563195,1.311361806,16.52932501,37.83936908,50.79398752,50.79398752,42.45413752,23.60451251,0.220218789,0.504130691,0.676723969,0.676723969,0.565612857,0.314480909,3.251629167,2.06773783,1.348036806,1.348036806,1.811361806,2.858563195,0.220218789,0.504130691,0.676723969,0.676723969,0.565612857,0.314480909,6.73287657,16.17613249,16.90146519,16.90146519,11.34156519,1.321623254,23.69925001,15.20198837,15.1849632,15.1849632,12.4050132,5.16683403,6,2.222222222,3,6,2,4,2.12,0.911,2.289428485,0,5.656854249,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.108,0.104,0.16,2.41,6,4,0,0,0,0,0,0,0,21,1.945910149,2.197224577,1.945910149,0,0,0,0,0,0,0,3.295836866,1.238095238,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,3,0.5,2,0.888888889,0,0,0,0,0,0,0,0,0.4,0.148148148,0,0,0,0,0,0,0,0,0.548148148,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,0,109.6959078,3.584962501,3.135494216,3.761200116,4.465908119,5.141663557,5.837730447,6.52649486,7.220373837,7.912423121,8.605753368,63.60704164,2.397895273,0,3.555348061,0,4.875197323,0,6.244166901,0,7.626082758,7.917536354,84.09390038,4.671883355,10.52364588,1.75394098,0,0,0,29,4,2.816,22,1.218176471,2.109577003,2.965464999,3.556975226,4.053990696,0,0,0,0,0,72.09694811,84.47532388,81.56922727,24.99486158,4.119114003,0,0,0,0,0,273.7619267,344.3950826,419.6816095,271.8261257,126.0132107,0,0,0,0,0,8.854038609,14.9811238,21.08149346,24.66690704,27.23659055,0,0,0,0,0,2.083499297,2.772766011,3.631620955,2.871011147,1.80245658,0,0,0,0,0,175.1053983,329.3958065,458.9515989,596.4544215,749.6544409,0,0,0,0,0,3.014607843,4.114653341,6.479454464,5.978653571,4.053990696,0,0,0,0,0,0.432308382,0.582443448,0.770957677,0.629492981,0.415128647,0,0,0,0,0,320.5263574,116.8023746,9.515343608,120.3539891,-43.85795863,-7.047911932,200.1723682,160.6603332,16.56325554,0.727014393,0.264929874,0.021582599,0.272985607,-0.099478144,-0.015985997,141.3137715,51.49587138,4.195127987,53.06170843,-19.336112,-3.107285855,0.146648919,0.272946783,3.493975888,6.523694273,440.8803465,0,1,0,333.2330094,18.25467089,6.932917066,449.9020669,21.21089501,7.66253838,529.7674607,23.01667788,8.091488599,1.128899747,1.044625866,237.8401085,159.6500088,110.8199766,1.489759445,2.146184432,1.440624819,3.473358942,3.200382783,5.273083328,0.64764145,3.51029105,3.98112584,3.605910462,9.615812917,4.886256274,7.099059847,7.389380437,7.818133351,2.898681102,0.013494541,2.02E-23,6.74E-66,4.49E-130,5.85E-216,1.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.294593113,3.965427528,0.223657464,5.616238863,1.017038304,1.437220007,0.497125885,0.390097908,0.020415648,9.50E-05,1.42E-25,4.74E-68,3.16E-132,4.12E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.950964342,3.966476943,0.774023613,6.286675776,1.301180293,2.462660571,1.466047351,1.434574296,0.212746793,9.90E-04,1.48E-24,4.94E-67,3.29E-131,4.29E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.3134208,3.979402453,3.349315577,9.319325544,4.47050405,6.706363811,6.812514788,7.196506942,2.582672676,0.012023393,1.80E-23,6.00E-66,4.00E-130,5.21E-216,1.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.401548931,3.967837182,1.193408684,6.790248666,1.646372185,3.205270752,2.261213417,2.291645153,0.462114463,0.002151331,3.22E-24,1.07E-66,7.15E-131,9.32E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.239221521,3.988372358,4.612209984,10.77220136,6.628706107,8.605359456,9.701161989,10.30922426,4.227453965,0.019680519,2.95E-23,9.82E-66,6.54E-130,8.53E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.888911292,2.743932672,1.499812825,6.948803981,2.004744586,4.717038598,3.167466302,3.117641773,0.724670276,0.003373635,5.06E-24,1.68E-66,1.12E-130,1.46E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.456493695,1.76017599,0.524094047,0.518164126,0.371285322,0.552080646,0.504298169,0.422344983,4.740763733,6.533792705,13.54066637,0.334174172,1.478723798,1.709719081,1.127687354,0.194498023,0.563909287,0.371940267,0.287280117,0.23234941,0.05920089,3.031904458,2.479898528,5.886800734,0.403774331,0.578830416,2.002273056,1.382862366,0.325472472,0.539607825,0.372678118,0.380797109,0.333908721,0.164429976,3.710607894,3.87063645,8.482434675,0.368428915,0.879135805,2.437638932,1.744878186,0.515940074,0.518816887,0.371372583,0.544296001,0.496906667,0.409441921,4.698457192,6.411311189,13.30425912,0.335284205,1.45064459,2.134521069,1.494793189,0.383819693,0.531883833,0.372475279,0.427253319,0.381934347,0.227963184,4.013133951,4.58366984,9.821444832,0.356538669,1.03715085,2.515619586,1.807974047,0.549620585,0.516213627,0.371002375,0.576885268,0.527671145,0.464015288,4.873214217,6.924510983,14.29749576,0.330824002,1.568571702,2.436455244,1.752363361,0.514907106,0.517984125,0.372547948,0.545107525,0.503592432,0.407348987,4.70372571,6.426407363,13.32855723,0.335798109,1.456048945 +UMLKV0093,L,1-HEPTENE,CCCCCC=C,C7H14,Olefin (alkene) with single C=C double bond,Olefins,592-76-7,2.627114062,PubChem,,0.4318,0,0.1504,0.02262016,29.2325,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1007.912141,841.551652,646.827051,450.070322,253.313593,67.647888,6.096384,3399.790734,4147.41404,5005.196641,4672.642312,3728.011456,2721.213111,1714.414766,791.2692929,186.5024666,146.842108,144.889944,255.155828,320.320912,270.87294,207.98804,145.10314,82.617408,40.310784,25.74688067,32.32302034,43.11292237,43.20797011,35.07566706,26.0541382,17.03260934,8.680011884,2.667677429,3476.407621,2904.481805,5635.131594,7637.816723,6528.696872,5049.741717,3570.786562,2060.036303,1109.505912,40,44.75,62,69.75,59.5,47.5,35,20,6,48.76541633,51.7541979,27.99755947,18.29460113,16.585309,15.00234407,12.06255205,5.637324,1.016064,161.8947969,207.370702,139.03324,101.5791807,95.59003733,90.70710369,81.63879838,65.93910774,31.08374443,6.992481333,7.2444972,7.087661889,6.963498087,6.94546,6.932934667,6.909673333,6.884784,6.718464,1.226041937,1.616151017,1.197581177,0.939303698,0.899376078,0.868471273,0.811076635,0.723334324,0.444612905,165.54322,145.2240902,156.5314332,166.039494,167.4024839,168.3247239,170.0374553,171.6696919,184.917652,1.904761905,2.2375,1.722222222,1.516304348,1.525641026,1.583333333,1.666666667,1.666666667,1,0.049280704,-0.007614202,-0.022845849,0.001606243,0.001311171,0.001858518,-0.001760597,-0.004526531,0.007330894,564.9747087,-53.80711511,-242.132018,-26.90355756,-2.74E-13,-2.45E-13,-1.88E-13,-40.35533633,80.71067267,1050.594596,-100.0566282,-450.2548269,-50.0283141,1.42E-13,1.42E-13,8.53E-14,-75.04247115,150.0849423,0.110674667,-0.010540444,-0.047432,-0.005270222,-4.45E-16,-4.52E-16,-4.59E-16,-0.007905333,0.015810667,4.696646663,-0.447299682,-2.01284857,-0.223649841,-2.36E-15,-2.58E-15,-2.14E-15,-0.335474762,0.670949523,25.51225921,-2.429738973,-10.93382538,-1.214869486,-2.44E-15,-6.00E-15,-6.00E-15,-1.822304229,3.644608459,5.285714286,-0.617346939,-1.275510204,-0.137755102,-0.102040816,0.020408163,0.285714286,-1.306122449,0.489795918,0.0023467,-3.81E-04,-6.35E-04,3.49E-05,3.36E-05,6.20E-05,-8.38E-05,-3.77E-04,0.001221816,26.90355756,-2.690355756,-6.725889389,-0.584859947,-7.01E-15,-8.17E-15,-8.97E-15,-3.362944694,13.45177878,50.0283141,-5.00283141,-12.50707852,-1.087572046,3.64E-15,4.74E-15,4.06E-15,-6.253539262,25.01415705,0.005270222,-5.27E-04,-0.001317556,-1.15E-04,-1.14E-17,-1.51E-17,-2.18E-17,-6.59E-04,0.002635111,0.223649841,-0.022364984,-0.05591246,-0.004861953,-6.05E-17,-8.60E-17,-1.02E-16,-0.02795623,0.111824921,1.214869486,-0.121486949,-0.303717372,-0.026410206,-6.26E-17,-2.00E-16,-2.85E-16,-0.151858686,0.607434743,0.25170068,-0.030867347,-0.035430839,-0.002994676,-0.002616431,6.80E-04,0.013605442,-0.108843537,0.081632653,-0.162232106,-0.270425217,0.01487976,0.014326402,0.02639903,-0.035725882,-0.160741002,0.520652665,-0.1,-0.25,-0.02173913,-2.61E-16,-3.04E-16,-3.33E-16,-0.125,0.5,-0.1,-0.25,-0.02173913,7.28E-17,9.47E-17,8.12E-17,-0.125,0.5,-0.1,-0.25,-0.02173913,-2.16E-15,-2.86E-15,-4.15E-15,-0.125,0.5,-0.1,-0.25,-0.02173913,-2.70E-16,-3.85E-16,-4.55E-16,-0.125,0.5,-0.1,-0.25,-0.02173913,-5.16E-17,-1.64E-16,-2.35E-16,-0.125,0.5,-0.122635135,-0.140765766,-0.011897767,-0.01039501,0.002702703,0.054054054,-0.432432432,0.324324324,1.459375918,1.231003764,0.783695987,0.823179415,0.89465579,1.13412299,1.381323553,0.185032401,1.5,1.369047619,0.931677019,0.879120879,0.857142857,0.816326531,0.892857143,0,1.5,1.369047619,0.931677019,0.879120879,0.857142857,0.816326531,0.892857143,0,1.5,1.369047619,0.931677019,0.879120879,0.857142857,0.816326531,0.892857143,0,1.5,1.369047619,0.931677019,0.879120879,0.857142857,0.816326531,0.892857143,0,1.5,1.369047619,0.931677019,0.879120879,0.857142857,0.816326531,0.892857143,0,1.466216216,0.880255255,0.750587544,0.836798337,0.993243243,1.216216216,2.207207207,0,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,42.78534791,21.17838824,35.24928014,42.47922546,6.06846078,21.17838824,-0.428571429,0.109241607,0.015605944,-1.549935292,26.71333668,3.816190954,2.299614059,0,11.79,12.21004853,-0.306948035,0.113272328,5.083969899,7.097648006,6,20,19,19,5,1,1,0,0,1,15.304898,3.482395983,3.187386785,2.701768563,2.117093876,1.572599551,1.19719882,0.911697442,0.083923071,1.891833234,1.671922331,1.364276662,1.02438691,0.730986775,0.549471752,0.349801862,0.083923071,3.50971322,3.220130596,2.748725212,2.185432383,1.666737283,1.315041477,1.039783756,0.270913902,1.831505689,1.60169185,1.273407245,0.907445372,0.59141731,0.395169899,0.188529248,0.270913902,3.630452655,3.36441836,2.952820655,2.476038034,2.053752126,1.782079744,1.541512282,0.943918427,1.654658222,1.393214783,0.992818311,0.531564342,0.125261353,0.134309087,0.369563056,0.943918427,3.529874442,3.244281326,2.783242904,2.235363736,1.734784458,1.399123447,1.130790711,0.399277246,1.793132834,1.556772728,1.214327728,0.830220437,0.497957939,0.290887368,0.07922127,0.399277246,3.689551591,3.434627323,3.049835198,2.609863663,2.224852491,1.980953912,1.75263536,1.207644823,1.599774711,1.327849611,0.901637584,0.404271541,0.039803444,0.328470623,0.576453602,1.207644823,3.598285894,3.296234897,2.843662279,2.280417167,1.778905648,1.453816466,1.259005162,0.538461538,1.845977493,1.497050444,1.092194267,0.732452928,0.422397407,0.212131938,0.061107734,0.538461538,0,0,1,1,0,1,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,5.112884175,3.023603362,1.78445705,1.011801681,0.538675135,0.24639964,0.102062073,0,0.730412025,0.503933894,0.35689141,0.25295042,0.179558378,0.12319982,0.102062073,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,5,1,0,2,0,0,0,0,0,0,0,0,1,1,4,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.614297052,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384550737,0.327152778,0,0,1.188296485,0.290277778,0,0.711703515,0,0,0,0,0,0,0,0,2.211397392,3.632491497,5.174305556,0,1.981805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.981805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384550737,0.327152778,0,0,0.212046485,0.290277778,0,0.327152778,0,0,0,0,0,0,0,0,2.211397392,3.632491497,1.188333333,0,1.981805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.632491497,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384550737,0.327152778,0,0,0.290277778,0.290277778,0,0.384550737,0,0,0,0,0,0,0,0,2.211397392,3.632491497,1.353194444,0,1.981805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13,1.857142857,0.384550737,3.632491497,0.212046485,1.188333333,5.159376803,0.311666667,0.632491497,1.687777778,0.311666667,0.632491497,1.687777778,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.28571,0,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.38519,0.76931,6.60412,1.21893,0.17413,2.84933,0.40705,3.41421,0.56488,0.0807,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.127387765,3.236857303,3.463280518,3.232101805,3.249367047,19.28421252,44.67514307,67.97400337,72.72889087,67.8741379,68.23670798,0.209068641,0.484342902,0.736936107,0.788485937,0.735853422,0.739784204,3.474021589,2.264929658,1.155460119,0.929036905,1.160215618,1.142950376,0.209068641,0.484342902,0.736936107,0.788485937,0.735853422,0.739784204,6.73287657,15.74885826,19.35589302,17.09520442,16.86221672,17.06939963,27.64912502,18.81705526,14.58757905,16.88179258,17.49723397,12.78821698,7,6,6,7,2,7,2.23,1.0519,0.166666667,3.838519496,0,0,5.676240019,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,3.16,5,4,3,2,1,0,0,0,0,28,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.666666667,5,0.833333333,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,0,126.9918924,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,98.10955045,4.671883355,12.83378878,1.833398397,0,0,0,56,4,3.957,22,1.2236,2.130702333,2.871729136,3.605464611,4.939731415,5.960982763,7.30073252,8.324651359,0,0,73.7959167,66.79834045,63.74485217,77.2616114,87.6814435,84.55329077,43.77081616,8.458378558,0,0,278.2003652,316.7502792,320.5922782,404.7643038,491.2507662,533.8705553,501.1212766,258.7613353,0,0,8.897867644,15.14862058,20.05013693,25.21914488,34.36249704,41.3402147,50.35805276,55.92887047,0,0,2.110244062,2.67720995,2.864193187,3.640788101,4.567018768,5.156846639,5.438541602,3.701247422,0,0,175.6104775,330.1411093,473.205228,590.1880374,822.898991,1002.016362,1245.820204,1539.374983,0,0,2.8102125,3.774214146,4.499008405,5.931093977,8.184286306,10.51946299,12.52642305,8.324651359,0,0,0.43759575,0.566400918,0.613278387,0.779929694,0.984305884,1.118169343,1.198603494,0.852444299,0,0,370.2788439,167.5843462,11.48802284,182.0876919,-82.41099191,-12.24010582,188.191152,249.9953381,23.72812866,0.670349885,0.303393373,0.020797826,0.329650115,-0.149196207,-0.022159391,204.5296423,92.56798479,6.345599379,100.5791476,-45.52107412,-6.76102485,0.125124026,0.22676275,2.488431769,5.676580613,552.3665359,0,1,0,393.1393776,19.82774263,7.32569526,529.3948196,23.00858143,8.089590956,577.678469,24.03494267,8.328409298,2.694131832,2.694131832,653.8070862,632.9279866,37.56688042,1.032988112,17.40381631,16.84803155,3.998211508,4.57798827,8.978772981,0.961292265,4.149594424,4.863396753,3.127175472,17.91865183,8.411702179,1.027370921,4.826716517,8.261226127,8.170984201,0.51026616,2.211261603,2.603453425,3.224991925,1.074168141,1.250211673,0.173173171,1.911882863,3.18E-12,1.02E-45,6.30E-101,7.52E-178,1.73E-276,0,0,0,0,0,0,0,0,0.348257413,4.863167147,0.206381407,4.933814538,0.062299116,0.084804326,0.536141596,0.237201379,2.806117479,0.022128907,0.06551718,0.146527405,0.109532539,0.663279687,0.104499291,0.014045995,0.013465547,2.24E-14,7.18E-48,4.44E-103,5.30E-180,1.22E-278,0,0,0,0,0,0,0,0,1.124191339,4.863182969,0.703164371,5.921299816,0.625219745,0.267518904,1.402967632,1.066256259,3.598483185,0.085070804,0.263447377,0.515878139,0.45975007,0.747021813,0.337614722,0.045663232,0.140321385,2.33E-13,7.48E-47,4.63E-102,5.52E-179,1.27E-277,0,0,0,0,0,0,0,0,3.916879296,4.863371714,2.913197394,16.5354162,7.496778618,0.966242018,4.560876677,7.483867487,7.735459316,0.46740045,1.994974689,2.406288257,2.933189533,1.04896822,1.179807049,0.16312586,1.70345321,2.83E-12,9.08E-46,5.62E-101,6.70E-178,1.54E-276,0,0,0,0,0,0,0,0,1.656845653,4.863203048,1.073708191,7.092955688,1.350543649,0.395821923,2.000680438,1.875531736,4.232300633,0.139174638,0.470599625,0.808666951,0.784997871,0.80454645,0.49786352,0.067624018,0.304796799,5.07E-13,1.62E-46,1.00E-101,1.20E-178,2.76E-277,0,0,0,0,0,0,0,0,5.011233796,4.863501933,3.959371922,23.70813621,12.25771314,1.257593306,5.814605532,11.46431849,9.905131275,0.683719013,3.108501765,3.386552859,4.42016928,1.16752391,1.511189118,0.210720891,2.788301473,4.64E-12,1.49E-45,9.19E-101,1.10E-177,2.52E-276,0,0,0,0,0,0,0,0,2.291910098,3.672436276,1.554861626,8.080118132,2.45268518,0.440310333,3.139009587,2.732834197,5.142708868,0.182898381,0.725879226,1.168495226,1.167868509,1.348609304,1.084276411,0.09858244,0.554332901,9.22E-13,2.96E-46,1.83E-101,2.18E-178,5.02E-277,0,0,0,0,0,0,0,0,7.136304388,0.797813871,0.39424315,0.85686776,0.095794819,0.51751526,0.573732509,0.476178631,8.328361409,8.821414402,19.39437657,0.785301641,1.5674264,6.418894019,0.29832868,0.084992606,0.943647581,0.043857577,0.418688369,0.080225794,0.022131145,6.802215305,2.485854444,9.450825506,0.915471372,0.521045308,6.703825881,0.496708235,0.207816884,0.904901223,0.067047071,0.456686652,0.222392391,0.132313223,7.408351001,4.826238086,12.92658721,0.857351835,0.811392266,7.118543304,0.78544805,0.386586978,0.858630486,0.094739838,0.514942273,0.556085646,0.457863508,8.290578331,8.646826084,19.09890729,0.787945729,1.528891427,6.830831848,0.58513406,0.26256472,0.889601433,0.07620391,0.474155844,0.30862054,0.21120993,7.678530628,5.944123388,14.6721127,0.834402149,0.993986314,7.191909608,0.836527948,0.418212581,0.851451107,0.099036652,0.525612062,0.630762339,0.535840797,8.446650137,9.373826978,20.33654161,0.77717666,1.692215198,7.178386256,0.784273606,0.386358287,0.859788077,0.093936028,0.523636293,0.554424678,0.457321957,8.349018149,8.706258496,19.23040382,0.789682115,1.535382929 +UMLKV0094,L,CIS-2-HEPTENE,CCCCC=CC,C7H14,Olefin (alkene) with single C=C double bond,heptenes,6443-92-1,2.627114062,PubChem,,0.4456,0,0.6382,0.40729924,32.2248,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,996.821117,827.412436,643.778859,450.070322,264.404617,81.787104,9.144576,3399.790734,4147.41404,4921.543769,4495.738207,3634.760223,2721.213111,1798.067638,968.1733981,279.7536999,146.842108,144.889944,254.75666,299.766352,250.717548,207.98804,145.502308,103.171968,60.466176,25.74688067,32.32302034,42.44399096,41.20519999,33.74182834,26.0541382,17.70154074,10.682782,4.001516144,3476.407621,2904.481805,5666.926698,7114.858871,5973.943916,5049.741717,3538.991458,2582.994154,1664.258868,36.75,43.5,62.25,65.5,55,45,31.5,21,9,48.76541633,51.7541979,27.68947547,19.24214967,17.88274608,15.00234407,12.59069605,5.4524736,1.016064,161.8947969,207.370702,136.7095491,104.5520513,100.9655617,90.70710369,85.62226847,64.54489321,31.08374443,6.992481333,7.2444972,7.076573889,6.971310512,6.964376333,6.932934667,6.928681333,6.8781312,6.718464,1.226041937,1.616151017,1.178999749,0.958260465,0.93727301,0.868471273,0.842930512,0.712185467,0.444612905,165.54322,145.2240902,157.4146305,165.4618342,165.9428866,168.3247239,168.5234028,172.1996103,184.917652,1.75,2.175,1.729166667,1.523255814,1.527777778,1.5,1.5,1.4,1,0.044255737,-0.002724614,-0.022405807,-0.002754175,0.003623632,-4.83E-04,-0.002641926,-3.61E-04,0.005618788,564.9747087,-53.80711511,-201.7766817,-26.90355756,-40.35533633,-2.17E-13,-40.35533633,-40.35533633,121.066009,1050.594596,-100.0566282,-375.2123557,-50.0283141,-75.04247115,1.42E-13,-75.04247115,-75.04247115,225.1274134,0.110674667,-0.010540444,-0.039526667,-0.005270222,-0.007905333,-4.52E-16,-0.007905333,-0.007905333,0.023716,4.696646663,-0.447299682,-1.677373808,-0.223649841,-0.335474762,-2.58E-15,-0.335474762,-0.335474762,1.006424285,25.51225921,-2.429738973,-9.111521147,-1.214869486,-1.822304229,-4.22E-15,-1.822304229,-1.822304229,5.466912688,3.30952381,-0.366213152,-0.93537415,-0.419501134,0.017006803,0.022108844,-0.047619048,-0.542517007,0.617346939,0.002107416,-1.36E-04,-6.22E-04,-6.41E-05,1.01E-04,-1.61E-05,-1.26E-04,-2.41E-05,6.24E-04,26.90355756,-2.690355756,-5.604907824,-0.625664129,-1.120981565,-7.22E-15,-1.921682683,-2.690355756,13.45177878,50.0283141,-5.00283141,-10.42256544,-1.163449165,-2.084513087,4.74E-15,-3.573451007,-5.00283141,25.01415705,0.005270222,-5.27E-04,-0.001097963,-1.23E-04,-2.20E-04,-1.51E-17,-3.76E-04,-5.27E-04,0.002635111,0.223649841,-0.022364984,-0.046593717,-0.005201159,-0.009318743,-8.60E-17,-0.015974989,-0.022364984,0.111824921,1.214869486,-0.121486949,-0.25309781,-0.028252779,-0.050619562,-1.41E-16,-0.086776392,-0.121486949,0.607434743,0.157596372,-0.018310658,-0.025982615,-0.00975584,4.72E-04,7.37E-04,-0.002267574,-0.0361678,0.068594104,-0.064643464,-0.295330163,-0.030392941,0.047762965,-0.007632156,-0.059696803,-0.011427678,0.296244171,-0.1,-0.208333333,-0.023255814,-0.041666667,-2.69E-16,-0.071428571,-0.1,0.5,-0.1,-0.208333333,-0.023255814,-0.041666667,9.47E-17,-0.071428571,-0.1,0.5,-0.1,-0.208333333,-0.023255814,-0.041666667,-2.86E-15,-0.071428571,-0.1,0.5,-0.1,-0.208333333,-0.023255814,-0.041666667,-3.85E-16,-0.071428571,-0.1,0.5,-0.1,-0.208333333,-0.023255814,-0.041666667,-1.16E-16,-0.071428571,-0.1,0.5,-0.11618705,-0.164868106,-0.061903965,0.002997602,0.004676259,-0.014388489,-0.229496403,0.435251799,1.373421493,1.382359431,0.99691271,0.864383522,0.945994284,0.976337212,0.657527898,0.003972094,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.510791367,1.154076739,0.931069098,0.881294964,0.931654676,0.971223022,1.208633094,0,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,35.10544132,17.48129209,28.8982439,35.0034005,5.000485786,17.48129216,-0.142857143,0.183534832,0.026219262,-1.186745565,21.80287736,3.114696766,2.157429365,0,11.89,12.11009426,-0.181125901,0.043377598,5.108787686,7.182011159,6,20,19,19,5,1,1,0,0,1,15.304898,3.502283833,3.174689649,2.647819903,2.141038364,1.662474916,1.228701565,0.765585611,0.083923071,1.88576869,1.676171393,1.375066214,1.023999473,0.748879162,0.560297645,0.26494977,0.083923071,3.526963431,3.208895978,2.700440482,2.208289868,1.74963351,1.34416454,0.900259949,0.270913902,1.827582872,1.604059501,1.277307308,0.910722223,0.616382834,0.407774127,0.098421578,0.270913902,3.637664543,3.359069382,2.92737616,2.492296558,2.109936044,1.802986042,1.426157545,0.943918427,1.660172369,1.388928624,0.971477704,0.54629082,0.176901559,0.114680916,0.481032874,0.943918427,3.545264645,3.234096227,2.739031931,2.257297879,1.812739275,1.426624494,0.995885952,0.399277246,1.790839239,1.557850432,1.213420877,0.835927735,0.527882588,0.304750691,0.014671876,0.399277246,3.692798026,3.431805311,3.034124997,2.622330165,2.270371888,1.998904681,1.646285725,1.207644823,1.609287721,1.321097279,0.87075811,0.422403721,0.022514211,0.305789472,0.697164539,1.207644823,3.57945078,3.267745145,2.795034571,2.350257742,1.87579871,1.495487606,1.142447682,0.56,1.792098626,1.470765026,1.133083257,0.730219577,0.424809806,0.204442835,0.169196891,0.56,0,0,0,2,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,5.276020882,3.026038674,1.711264119,0.960046463,0.488641942,0.23570226,0.11785113,0,0.753717269,0.504339779,0.342252824,0.240011616,0.162880647,0.11785113,0.11785113,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,4,2,0,2,0,0,0,0,0,0,0,0,2,0,3,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.318611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.633472222,0,0,0.97625,0.580555556,0,0.633472222,0,0,0,0,0,0,0,0,4.276944444,0,3.904444444,0,4.318611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.106805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.216944444,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.065138889,0,1.256944444,0,2.106805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.211805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327152778,0,0,0.290277778,0.290277778,0,0.327152778,0,0,0,0,0,0,0,0,2.211805556,0,1.337638889,0,2.211805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.5,1.785714286,0.327152778,2.211805556,0.216944444,1.256944444,4.938793333,0.243055556,0.211805556,1.191111111,0.243055556,0.211805556,1.191111111,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.28571,0,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.52313,0.78902,6.60412,1.08099,0.15443,2.81066,0.40152,3.41421,0.60355,0.08622,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.058053137,3.368042423,3.653756708,3.653756708,3.290069569,19.28421252,43.21911587,70.72889087,76.72889087,76.72889087,69.09146095,0.209068641,0.468557469,0.766803056,0.831851698,0.831851698,0.749050957,3.474021589,2.334264286,1.024275,0.738560714,0.738560714,1.102247854,0.209068641,0.468557469,0.766803056,0.831851698,0.831851698,0.749050957,6.73287657,16.07411706,19.48810467,19.77605468,19.77605468,17.11042065,27.64912502,17.70101564,14.3059685,13.54772211,13.54772211,12.70318223,7,6,6,7,2,7,2.23,1.0519,0.166666667,3.838519496,0,0,5.676240019,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.207,5,4,3,2,1,0,0,0,0,28,2.079441542,2.079441542,1.945910149,1.791759469,1.609437912,1.098612289,0,0,0,0,3.663561646,1.357142857,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,0,126.9918924,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,98.10955045,4.671883355,12.83378878,1.833398397,0,0,0,56,4,3.912,22,1.211231152,2.106136541,2.89428141,3.675437262,4.994907504,6.023459366,7.337484776,8.219014518,0,0,73.49130568,66.47489135,67.93021718,84.09818197,88.48435384,88.76025023,42.2914339,8.351044768,0,0,276.4193798,311.8088967,334.3294223,434.282923,495.6564937,565.7070623,490.8239376,255.4777468,0,0,8.809335207,14.9606994,20.23582587,25.78356539,34.74154182,41.90053723,50.55038426,55.21915316,0,0,2.094507637,2.630657212,2.957281698,3.86322564,4.609671683,5.422110358,5.363404108,3.65427992,0,0,173.7473791,327.4412742,474.8498889,595.8681864,832.4686784,1002.38656,1256.964404,1519.840867,0,0,2.730249642,3.772410415,4.560041951,6.042555872,7.787095409,9.463112488,10.47841025,8.219014518,0,0,0.434249324,0.556494205,0.632083261,0.825689478,0.993588797,1.173374424,1.183549786,0.841627087,0,0,357.0719811,154.1079965,10.35356875,86.20075365,-37.20321433,-5.727109662,270.8712275,191.3112109,16.08067841,0.805535629,0.347659543,0.023357107,0.194464371,-0.083928497,-0.012920058,158.2802736,68.31187308,4.589454734,38.21044381,-16.49117056,-2.538671562,0.131808696,0.210923682,1.810760445,1.863947568,443.2727348,0,1,0,394.9587139,19.87356822,7.336978279,535.2210833,23.13484565,8.119159458,576.4143562,24.00863087,8.322329943,2.538132116,2.538132116,677.5908374,654.5882166,38.81473535,1.035140597,17.45705159,16.8644256,4.066801532,4.66694277,9.036166239,0.936206781,5.743088303,4.913612578,2.665604633,20.27069252,8.317724307,2.510922646,3.604713176,6.82986798,9.954567398,1.183885948,1.903794152,3.806237994,3.768794587,2.8621858,1.11194929,0.733284437,1.754867866,9.06E-10,9.03E-41,1.73E-93,6.43E-168,4.59E-264,0,0,0,0,0,0,0,0,0.481985557,4.908047759,0.219800444,5.11450348,0.066357481,0.082508121,0.781276215,0.206623149,3.242513374,0.034036652,0.058853901,0.373064242,0.151914209,1.070279661,0.048699372,0.043424938,0.012359678,6.38E-12,6.36E-43,1.22E-95,4.53E-170,3.24E-266,0,0,0,0,0,0,0,0,1.55588879,4.908419741,0.712115928,6.206424907,0.630449559,0.349657593,1.357353721,0.90854177,4.123288411,0.15291481,0.254377461,1.070985137,0.598708696,1.398121927,0.186608126,0.152117184,0.128797373,6.65E-11,6.63E-42,1.27E-94,4.72E-169,3.37E-265,0,0,0,0,0,0,0,0,5.421007362,4.913001656,2.513424313,18.63467808,7.416296205,2.281406364,3.431777302,6.19443971,9.370562735,1.07251597,1.726792344,3.595048701,3.444252996,2.739070343,1.018866717,0.679687755,1.563555675,8.08E-10,8.04E-41,1.55E-93,5.73E-168,4.09E-264,0,0,0,0,0,0,0,0,2.293089693,4.908901917,1.052131337,7.550364617,1.350288033,0.600906093,1.752885963,1.583393327,4.873195651,0.268913441,0.442361116,1.550936053,0.991967898,1.63443578,0.304771484,0.236268923,0.279765104,1.44E-10,1.44E-41,2.77E-94,1.02E-168,7.32E-265,0,0,0,0,0,0,0,0,6.935609054,4.916181397,3.231841581,27.13218399,12.10525907,3.452517783,4.245115763,9.443672856,12.31341304,1.642765188,2.631882828,4.589326911,5.087509634,3.333260065,1.488374038,0.944631768,2.559309858,1.32E-09,1.32E-40,2.53E-93,9.37E-168,6.70E-264,0,0,0,0,0,0,0,0,3.233935486,4.516921593,1.519469856,9.67881637,2.638105604,0.918658124,2.325531784,2.465303433,6.253601661,0.423686011,0.778363963,2.351102604,1.46367389,2.290888867,0.515410613,0.38602524,0.550326563,2.84E-10,2.83E-41,5.44E-94,2.02E-168,1.44E-264,0,0,0,0,0,0,0,0,7.927088338,0.816756699,0.373555829,0.869446069,0.089582186,0.561650024,0.557086437,0.476173166,9.117400866,9.740816782,21.2768058,0.804169103,1.594909627,6.61050278,0.316496648,0.080532746,0.94334248,0.045165208,0.390641892,0.083573544,0.022130891,7.007532175,2.65005226,9.826075205,0.91501372,0.496346327,7.133373109,0.515218423,0.196912004,0.909230756,0.065670536,0.454846924,0.221583691,0.132311704,7.845503535,5.181344723,13.75054816,0.863846134,0.80874232,7.894490121,0.804374937,0.366301403,0.870859918,0.088732506,0.557041792,0.540318426,0.457858253,9.065166462,9.536536473,20.92776446,0.806289877,1.55521847,7.366453434,0.603781398,0.248787029,0.89626887,0.073461466,0.485042416,0.30435843,0.211207506,8.219021861,6.430618592,15.75617737,0.844403305,1.000608352,8.029145594,0.855519746,0.3962675,0.865122691,0.092180362,0.576200155,0.611237193,0.535834647,9.28093284,10.38979672,22.3927277,0.797684037,1.723271994,7.916088811,0.804259906,0.366446635,0.871163981,0.088508641,0.560097392,0.540151389,0.45822139,9.086795352,9.562135283,20.98194716,0.806745971,1.558470171 +UMLKV0095,L,CIS-3-HEPTENE,CCCC=CCC,C7H14,Olefin (alkene) with single C=C double bond,heptenes,2097503,2.627114062,PubChem,,0.4486,0,0.25,0.0625,32.391,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,996.821117,816.321412,629.639643,458.113154,278.543833,84.835296,9.144576,3399.790734,4147.41404,4921.543769,4412.085335,3457.856117,2711.614749,1974.971743,1061.424631,279.7536999,146.842108,144.889944,254.75666,299.367184,230.162988,188.231816,166.056868,123.32736,60.466176,25.74688067,32.32302034,42.44399096,40.53626858,31.73905822,25.38923089,19.70431086,12.01662072,4.001516144,3476.407621,2904.481805,5666.926698,7146.653976,5450.986064,4463.193657,4061.94931,3137.747111,1664.258868,36.75,43.25,63,67.25,51.75,40.5,34,24,9,48.76541633,51.7541979,27.68947547,18.98421888,19.07998918,16.96715385,11.60599304,4.713072,1.016064,161.8947969,207.370702,136.7095491,102.6066357,104.7835187,100.4301759,82.29048929,58.96803508,31.08374443,6.992481333,7.2444972,7.076573889,6.962027535,6.974636,6.971548741,6.919036167,6.85152,6.718464,1.226041937,1.616151017,1.178999749,0.942703921,0.961789643,0.940341885,0.821012953,0.66759004,0.444612905,165.54322,145.2240902,157.4146305,166.2012552,165.1813959,165.3034688,169.2478879,174.3192839,184.917652,1.75,2.1625,1.75,1.563953488,1.568181818,1.5,1.416666667,1.333333333,1,0.04378992,-0.00432406,-0.018952206,-1.71E-04,-0.003470449,-8.67E-04,0.00196673,-8.91E-04,0.004814006,564.9747087,-53.80711511,-201.7766817,13.45177878,-40.35533633,-80.71067267,-40.35533633,-2.74E-13,121.066009,1050.594596,-100.0566282,-375.2123557,25.01415705,-75.04247115,-150.0849423,-75.04247115,8.53E-14,225.1274134,0.110674667,-0.010540444,-0.039526667,0.002635111,-0.007905333,-0.015810667,-0.007905333,-6.81E-16,0.023716,4.696646663,-0.447299682,-1.677373808,0.111824921,-0.335474762,-0.670949523,-0.335474762,-3.25E-15,1.006424285,25.51225921,-2.429738973,-9.111521147,0.607434743,-1.822304229,-3.644608459,-1.822304229,-8.66E-15,5.466912688,3.30952381,-0.616213152,-0.816326531,0.068594104,-0.43877551,-0.421768707,0.289115646,-0.336734694,0.617346939,0.002085234,-2.16E-04,-5.26E-04,-3.97E-06,-1.05E-04,-3.21E-05,8.19E-05,-4.95E-05,5.35E-04,26.90355756,-2.690355756,-5.604907824,0.312832065,-1.22288898,-2.989284173,-1.681472347,-1.52E-14,13.45177878,50.0283141,-5.00283141,-10.42256544,0.581724583,-2.274014277,-5.558701566,-3.126769631,4.74E-15,25.01415705,0.005270222,-5.27E-04,-0.001097963,6.13E-05,-2.40E-04,-5.86E-04,-3.29E-04,-3.78E-17,0.002635111,0.223649841,-0.022364984,-0.046593717,0.00260058,-0.010165902,-0.024849982,-0.013978115,-1.80E-16,0.111824921,1.214869486,-0.121486949,-0.25309781,0.014126389,-0.05522134,-0.134985498,-0.075929343,-4.81E-16,0.607434743,0.157596372,-0.030810658,-0.022675737,0.001595212,-0.013296228,-0.015621063,0.012046485,-0.018707483,0.068594104,-0.103682831,-0.252465715,-0.001905311,-0.050433247,-0.015405572,0.039298749,-0.023732655,0.256512905,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,-5.65E-16,0.5,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,9.47E-17,0.5,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,-7.18E-15,0.5,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,-8.07E-16,0.5,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,-3.96E-16,0.5,-0.195503597,-0.143884892,0.010122135,-0.084368869,-0.099120703,0.076438849,-0.118705036,0.435251799,1.41336428,1.315405048,1.048229969,1.169634258,0.936844601,0.627285096,0.575361235,1.83E-05,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.586330935,1.175059952,0.966203781,1.052975801,0.923261391,0.692446043,1.007194245,0,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,33.17168758,16.51441522,26.3014442,33.06964677,4.724235253,16.51441542,-0.142857143,0.116346709,0.016620958,-1.505826475,25.42955888,3.632794125,2.265138563,0,11.89,12.11009426,-0.160379045,0.06103321,5.129862217,7.044812138,6,20,19,19,5,1,1,0,0,1,15.304898,3.512714711,3.139583825,2.695830913,2.127646664,1.603892564,1.293866965,0.750445195,0.083923071,1.881411882,1.688132795,1.36461443,1.024195326,0.737504923,0.580196965,0.260463024,0.083923071,3.536210819,3.177688002,2.74371253,2.195568475,1.695912636,1.404117954,0.886838218,0.270913902,1.824885,1.610768069,1.273564199,0.909034399,0.600543781,0.431493138,0.093362734,0.270913902,3.641919659,3.343968271,2.950852102,2.483468626,2.074126321,1.844897189,1.417618328,0.943918427,1.663488105,1.376801627,0.991273819,0.538339161,0.144047724,0.075582297,0.488946631,0.943918427,3.553648911,3.205711777,2.778854815,2.24513635,1.762410262,1.483022975,0.983553245,0.399277246,1.789305984,1.560910539,1.214285564,0.832954886,0.508909607,0.331203095,0.020172058,0.399277246,3.694803858,3.423801707,3.048807729,2.615655102,2.241467126,2.034313152,1.639142064,1.207644823,1.614766388,1.302097472,0.899047957,0.41249167,0.017322926,0.259974192,0.70662939,1.207644823,3.585030126,3.220752873,2.875375255,2.31583412,1.831438012,1.551166707,1.128381486,0.56,1.765443383,1.521948933,1.105288947,0.730438526,0.411032046,0.227901289,0.174074546,0.56,0,0,0,2,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,5.276020882,3.064043477,1.668327946,0.857710728,0.451184464,0.23570226,0.11785113,0,0.753717269,0.510673913,0.333665589,0.214427682,0.150394821,0.11785113,0.11785113,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,2,0,3,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.447916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.607013889,0,0,1.292986111,0.580555556,0,0.607013889,0,0,0,0,0,0,0,0,4.353333333,0,3.69875,0,4.447916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.211805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.225625,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.158888889,0,1.180555556,0,2.211805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.290277778,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.194444444,0,1.274305556,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.5,1.785714286,0.306319444,2.236111111,0.225625,1.180555556,4.908854167,0.319444444,0.236111111,1.6025,0.319444444,0.236111111,1.6025,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.28571,0,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.49934,0.78562,6.60412,1.10478,0.15783,2.87132,0.41019,3.41421,0.54289,0.07756,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.962815041,2.987090042,3.463280518,3.232101805,2.624632976,19.28421252,41.21911587,62.72889087,72.72889087,67.8741379,55.1172925,0.209068641,0.446874589,0.680071533,0.788485937,0.735853422,0.597550842,3.474021589,2.429502381,1.405227381,0.929036905,1.160215618,1.767684446,0.209068641,0.446874589,0.680071533,0.788485937,0.735853422,0.597550842,6.73287657,14.93125992,18.05729752,18.5372142,17.2573527,13.9508934,27.64912502,19.06805416,16.36502553,15.14260039,16.89724055,17.32556464,7,6,6,7,2,7,2.23,1.0519,0.166666667,3.838519496,0,0,5.676240019,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.207,5,4,3,2,1,0,0,0,0,28,2.079441542,2.079441542,2.079441542,1.945910149,1.609437912,1.098612289,0,0,0,0,3.713572067,1.428571429,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,0,126.9918924,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,98.10955045,4.671883355,12.83378878,1.833398397,0,0,0,56,4,3.807,22,1.211421244,2.106465375,2.886381483,3.68991583,5.043730306,5.985431906,7.225200975,8.220564722,0,0,73.50713701,66.40438108,66.85844653,89.78795971,99.84231321,81.2709892,36.37741992,8.352619873,0,0,276.4728023,311.6634955,327.6614506,452.1967947,550.7346457,538.8888689,443.5884067,255.5259329,0,0,8.810731504,14.96274433,20.15454881,25.92547952,35.27668019,41.56938463,49.58726916,55.22956814,0,0,2.094890831,2.629995935,2.904259325,3.980075852,5.023065097,5.235462171,4.963671115,3.65496916,0,0,173.773791,327.5111206,475.6182997,595.260697,825.3379946,1001.054972,1252.82804,1520.127527,0,0,2.713379163,3.823362837,4.687013318,6.225086001,7.823061813,8.838172906,9.843187675,8.220564722,0,0,0.434327963,0.556373955,0.621141522,0.849069339,1.078138242,1.135547186,1.10009555,0.841785827,0,0,350.5238548,150.0402668,9.921249096,100.1639549,-42.87476106,-6.443864787,250.3598999,192.9150279,16.36511388,0.77775313,0.332913968,0.022013573,0.22224687,-0.095131841,-0.014297846,157.9768284,67.62131923,4.471386025,45.14267345,-19.32313215,-2.904171307,0.132918988,0.206030955,2.093593464,1.587451949,450.6878097,0,1,0,394.7524966,19.86837932,7.33570112,534.9824977,23.12968866,8.117952852,577.1802844,24.02457667,8.326014494,2.641892521,2.641892521,681.2459717,659.6500192,37.42432695,1.0327385,18.20329254,17.62623601,4.050974504,4.649227937,9.26721463,0.993280337,5.729189167,4.942265542,2.687378824,18.73660734,8.393801586,1.602070747,4.480119212,5.660813549,10.02596268,0.093650094,1.396467365,7.043179721,1.952395678,4.751753847,0.00238597,3.695431693,7.93E-04,0.004432007,4.78E-24,9.95E-67,3.99E-131,3.09E-217,0,0,0,0,0,0,0,0,0.480818992,4.936954324,0.221547494,5.115859449,0.065709476,0.132806628,0.706303638,0.066797711,3.141634684,6.64E-04,0.076792991,0.504017205,0.044206736,1.11904145,1.69E-05,0.07892207,5.58E-06,3.12E-05,3.37E-26,7.01E-69,2.81E-133,2.18E-219,0,0,0,0,0,0,0,0,1.552123236,4.93730936,0.717808534,6.110187701,0.63299173,0.427259917,1.476306835,0.484655283,3.981293876,0.006885088,0.271207108,1.601927913,0.221541775,1.615619598,1.75E-04,0.407120859,5.82E-05,3.25E-04,3.51E-25,7.30E-68,2.93E-132,2.27E-218,0,0,0,0,0,0,0,0,5.407887705,4.941682463,2.533922077,17.27094257,7.483264558,1.510193709,4.248978192,5.062224577,9.404425966,0.083443683,1.289159637,6.559059491,1.76052006,4.44271159,0.002125927,3.328984343,7.06E-04,0.003948838,4.26E-24,8.86E-67,3.56E-131,2.75E-217,0,0,0,0,0,0,0,0,2.287540014,4.937769566,1.060574728,7.323050411,1.358723085,0.631012524,2.004982831,0.986472088,4.725625677,0.014944123,0.426923349,2.425941327,0.406273495,2.029231468,3.81E-04,0.754158879,1.26E-04,7.07E-04,7.62E-25,1.59E-67,6.36E-132,4.92E-218,0,0,0,0,0,0,0,0,6.918823858,4.944717281,3.258399011,24.88067975,12.22007194,1.944441145,5.336056103,8.167932432,12.55441269,0.136565006,1.823889014,8.930804665,2.748047062,5.994383026,0.003479378,5.216911519,0.001155812,0.006463665,6.97E-24,1.45E-66,5.82E-131,4.51E-217,0,0,0,0,0,0,0,0,3.224071138,4.45331557,1.55400896,9.462494078,2.657958587,0.858263225,2.873454395,1.884800319,5.594572821,0.029386015,0.611377935,3.471766099,0.674387291,3.004582663,7.49E-04,1.374649932,2.49E-04,0.001389877,1.50E-24,3.12E-67,1.25E-131,9.69E-218,0,0,0,0,0,0,0,0,8.23942705,0.797819427,0.373939965,0.875492915,0.084773523,0.602326712,0.614698262,0.476182311,9.411186443,9.952962603,21.82227144,0.813239372,1.693207286,6.645011935,0.301657088,0.08061556,0.945601655,0.042926551,0.391778202,0.087865121,0.022131316,7.027284583,2.564524562,9.75340424,0.918402483,0.50177464,7.278260934,0.498717596,0.197114493,0.912738403,0.062542235,0.470001495,0.24017514,0.132314246,7.974093023,5.162751975,13.85233055,0.869107605,0.842490881,8.199953738,0.785535932,0.366678079,0.876797119,0.083995064,0.596569601,0.59591412,0.457867047,9.352167749,9.736140393,21.45021303,0.815195678,1.650350767,7.560526499,0.586555153,0.249042862,0.90047813,0.069860226,0.507161408,0.332236632,0.211211563,8.396124515,6.463638313,15.96418469,0.850717194,1.050609603,8.363007474,0.836275749,0.396674991,0.871513536,0.087148748,0.620529456,0.675391289,0.535844938,9.595958214,10.64290593,23.01312189,0.807270304,1.831765684,8.209011351,0.785321925,0.366823461,0.876922755,0.083891548,0.597885544,0.595604329,0.458230191,9.361156737,9.746049055,21.47201268,0.815384132,1.651720064 +UMLKV0096,L,1-OCTENE,CCCCCCC=C,C8H16,Olefin (alkene) with single C=C double bond,Olefins,111-66-0,2.761976862,PubChem,,0.5681,0,-0.1376,0.01893376,32.1441,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1201.620678,1038.308381,843.58378,646.827051,450.070322,253.313593,67.647888,3885.475125,4800.404174,5918.743752,5679.440657,4734.809801,3728.011456,2721.213111,1714.414766,791.2692929,167.819552,166.665724,297.885336,383.205812,333.75784,270.87294,207.98804,145.10314,82.617408,29.42500648,37.33900896,50.80061251,52.22949897,44.09719592,35.07566706,26.0541382,17.03260934,8.680011884,3973.037281,3337.521256,6559.333793,9116.771878,8007.652027,6528.696872,5049.741717,3570.786562,2060.036303,44.25,50,71.25,82,71.75,59.5,47.5,35,20,48.76541633,52.3287937,28.61001614,18.8783342,17.57466208,16.585309,15.00234407,12.06255205,5.637324,161.8947969,208.713225,140.9224703,103.2625574,98.64187085,95.59003733,90.70710369,81.63879838,65.93910774,6.992481333,7.246335826,7.092508,6.9673784,6.953288333,6.94546,6.932934667,6.909673333,6.884784,1.226041937,1.623435172,1.209538393,0.949627254,0.918691582,0.899376078,0.868471273,0.811076635,0.723334324,165.54322,145.1096198,156.1746141,165.7594887,166.8260839,167.4024839,168.3247239,170.0374553,171.6696919,1.84375,2.173913043,1.696428571,1.490909091,1.494791667,1.525641026,1.583333333,1.666666667,1.666666667,0.053503502,-0.007612405,-0.024941843,0.001659595,0.00114453,1.87E-04,0.001770811,-0.001763451,-0.004526568,645.6853813,-53.80711511,-282.4873543,-26.90355756,-2.74E-13,-2.74E-13,-2.45E-13,-1.88E-13,-40.35533633,1200.679538,-100.0566282,-525.297298,-50.0283141,1.42E-13,1.42E-13,1.42E-13,8.53E-14,-75.04247115,0.126485333,-0.010540444,-0.055337333,-0.005270222,-7.38E-16,-7.38E-16,-7.24E-16,-7.17E-16,-0.007905333,5.367596186,-0.447299682,-2.348323331,-0.223649841,-3.14E-15,-2.69E-15,-2.91E-15,-2.91E-15,-0.335474762,29.15686767,-2.429738973,-12.75612961,-1.214869486,2.73E-14,2.73E-14,2.73E-14,2.73E-14,-1.822304229,5.489583333,-0.542100694,-1.346354167,-0.101128472,-0.052083333,-0.149739583,0.002604167,0.290364583,-1.286458333,0.002229313,-3.31E-04,-5.94E-04,3.02E-05,2.38E-05,4.79E-06,5.90E-05,-8.40E-05,-3.77E-04,26.90355756,-2.339439787,-6.725889389,-0.489155592,-5.70E-15,-7.01E-15,-8.17E-15,-8.97E-15,-3.362944694,50.0283141,-4.350288182,-12.50707852,-0.909605711,2.96E-15,3.64E-15,4.74E-15,4.06E-15,-6.253539262,0.005270222,-4.58E-04,-0.001317556,-9.58E-05,-1.54E-17,-1.89E-17,-2.41E-17,-3.42E-17,-6.59E-04,0.223649841,-0.019447812,-0.05591246,-0.004066361,-6.53E-17,-6.90E-17,-9.71E-17,-1.39E-16,-0.02795623,1.214869486,-0.105640825,-0.303717372,-0.022088536,5.69E-16,7.00E-16,9.10E-16,1.30E-15,-0.151858686,0.228732639,-0.023569595,-0.032056052,-0.001838699,-0.001085069,-0.003839476,8.68E-05,0.013826885,-0.107204861,-0.148464651,-0.266384094,0.013535318,0.010695838,0.002147222,0.026477682,-0.037668053,-0.169206412,-0.086956522,-0.25,-0.018181818,-2.12E-16,-2.61E-16,-3.04E-16,-3.33E-16,-0.125,-0.086956522,-0.25,-0.018181818,5.92E-17,7.28E-17,9.47E-17,8.12E-17,-0.125,-0.086956522,-0.25,-0.018181818,-2.92E-15,-3.59E-15,-4.58E-15,-6.48E-15,-0.125,-0.086956522,-0.25,-0.018181818,-2.92E-16,-3.09E-16,-4.34E-16,-6.21E-16,-0.125,-0.086956522,-0.25,-0.018181818,4.68E-16,5.76E-16,7.49E-16,1.07E-15,-0.125,-0.103044303,-0.140146381,-0.008038641,-0.004743833,-0.016785871,3.80E-04,0.060449986,-0.468690702,1.46255088,1.247155141,0.792871074,0.823120668,0.882929417,0.948883431,1.201363069,1.463148389,1.5,1.386160714,0.940909091,0.8984375,0.884615385,0.8625,0.821428571,0.8984375,1.5,1.386160714,0.940909091,0.8984375,0.884615385,0.8625,0.821428571,0.8984375,1.5,1.386160714,0.940909091,0.8984375,0.884615385,0.8625,0.821428571,0.8984375,1.5,1.386160714,0.940909091,0.8984375,0.884615385,0.8625,0.821428571,0.8984375,1.5,1.386160714,0.940909091,0.8984375,0.884615385,0.8625,0.821428571,0.8984375,1.457305503,0.885334779,0.733206831,0.796489564,0.926580061,1.099810247,1.346706425,2.44402277,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,55.64149358,27.59158012,45.54212847,55.35072685,6.918840856,27.59158012,-0.458333333,0.096068521,0.012008565,-1.874154867,32.16958652,4.021198315,2.77681719,0,11.79,12.21005852,-0.306948036,0.113285108,5.104114357,7.254850364,7,23,22,22,6,1,1,0,0,1,17.491312,3.499160109,3.261892624,2.866142824,2.367020356,1.854778102,1.428728893,1.154729458,0.911583284,1.90685943,1.724640433,1.462982189,1.163203169,0.876196978,0.658149334,0.530820245,0.349799307,3.526506373,3.292994309,2.907712769,2.425088861,1.934077794,1.531020425,1.275852041,1.039703963,1.847031613,1.657108886,1.379536666,1.05738938,0.748287346,0.512853664,0.374912327,0.188525437,3.647095365,3.43022517,3.089398352,2.675189698,2.267171913,1.946675374,1.753140211,1.541491986,1.67121938,1.457667125,1.12525037,0.723635115,0.329982017,0.022663773,0.161798045,0.36957908,3.546673641,3.315940082,2.938314837,2.467677392,1.991806547,1.604668603,1.362086193,1.130728725,1.808942169,1.614010834,1.32557352,0.988009577,0.663274327,0.415218402,0.269432974,0.079216254,3.705967436,3.497172465,3.176520053,2.792327443,2.4180915,2.128111279,1.955308783,1.75262374,1.616497054,1.395406539,1.043649345,0.612900335,0.185586541,0.153105649,0.359488595,0.576481456,3.62577018,3.361446783,3.001536348,2.52184971,2.041216797,1.662932024,1.430961668,1.275475833,1.85785137,1.572028124,1.210277112,0.869281739,0.571048337,0.327680367,0.17591631,0.076687118,0,0,1,1,0,1,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.819990956,3.523603362,2.138010441,1.261801681,0.71545183,0.380900841,0.174230856,0.072168784,0.72749887,0.503371909,0.356335073,0.252360336,0.178862957,0.126966947,0.087115428,0.072168784,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,6,1,0,2,0,0,0,0,0,0,0,0,1,1,5,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.654015023,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380644487,0.322050737,0,0,1.397304776,0.290277778,0,0.702695224,0,0,0,0,0,0,0,0,2.230069444,3.658320578,6.615915533,0,1.995694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.995694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380644487,0.322050737,0,0,0.209008291,0.290277778,0,0.322050737,0,0,0,0,0,0,0,0,2.230069444,3.658320578,1.194444444,0,1.995694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.658320578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380644487,0.322050737,0,0,0.290277778,0.290277778,0,0.380644487,0,0,0,0,0,0,0,0,2.230069444,3.658320578,1.382777778,0,1.995694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.5,1.8125,0.380644487,3.658320578,0.209008291,1.194444444,5.874401675,0.305555556,0.658320578,1.776780045,0.305555556,0.658320578,1.776780045,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.25,0,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,6.67662,0.83458,7.95768,1.28106,0.16013,3.34933,0.41867,3.91421,0.56488,0.07061,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,0.75,0.918295834,2.049104007,3.136842188,3.522055209,3.351227481,3.234697003,22.03910002,49.17849618,75.28421252,84.52932501,80.42945954,77.63272806,0.200284263,0.446918379,0.684158745,0.768175358,0.730917097,0.7055013,3.666666667,2.535858493,1.448120313,1.062907292,1.23373502,1.350265498,0.200284263,0.446918379,0.684158745,0.768175358,0.730917097,0.7055013,6.73287657,15.20065,19.04494351,18.17141227,16.51296263,17.88180548,31.59900002,22.2783271,17.20000052,17.91052656,20.46064886,18.69150037,8,7,7.2,8,2,8,2.34,1.1928,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,3.659,6,5,4,3,2,1,0,0,0,36,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,3.784189634,1.194444444,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.714285714,6,0.857142857,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,144.287877,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,112.1252005,4.671883355,14.83110795,1.853888494,0,0,0,84,5,4.526,26,1.227,2.135021502,2.87271673,3.609229398,4.944776656,5.968097746,7.284032002,8.421556588,9.604031182,0,74.89491166,68.33896335,65.97266073,82.12742441,97.47332984,106.1109762,99.29809039,50.71865096,9.758310339,0,281.0620545,321.5844338,326.6934522,419.4600868,520.3934691,599.0538661,635.0148623,579.7744956,298.5292508,0,8.925452504,15.18954941,20.06936237,25.28027084,34.46625388,41.54899984,50.45278224,58.0973361,64.52433775,0,2.127440242,2.708766954,2.900800532,3.733551311,4.749323681,5.56689376,6.177667548,6.287232216,4.270076202,0,175.9203541,330.0647106,472.4996586,588.2662477,818.7466217,991.5524744,1229.29127,1436.427438,1775.954896,0,2.737826087,3.720872609,4.419903102,5.80043007,7.863384284,9.954476016,12.63467659,14.48293826,9.604031182,0,0.440993152,0.572718043,0.620474507,0.798342017,1.02041993,1.1994567,1.341310964,1.385444896,0.983452793,0,415.7175311,210.2061087,13.19232656,173.7223507,-87.84209613,-12.06912162,241.9951804,298.0482048,25.26144818,0.70527554,0.356620099,0.022381123,0.29472446,-0.149026387,-0.020475577,245.0404923,123.9038639,7.776083408,102.3988818,-51.77763476,-7.114021619,0.111994905,0.202968794,2.311560402,5.272436358,589.4398817,0,1,0,455.2209468,21.33590745,7.692616449,610.8504609,24.71538915,8.484865622,686.8263951,26.20737291,8.8229874,2.777473789,2.777473789,964.4923415,940.4156404,44.09371502,1.025602191,21.873692,21.32765724,4.377916779,5.645455692,10.18967585,0.804934163,4.707395531,5.811914061,3.423507979,22.8915296,10.38655183,1.027386561,5.621029591,8.400079893,12.598261,0.615455517,2.064246697,6.957449928,4.169728739,4.577268803,1.829291087,3.154821331,1.076405436,2.577035344,0.054773684,1.31E-04,6.08E-29,5.43E-75,9.35E-143,3.11E-232,0,0,0,0,0,0,0.395069795,5.811642349,0.228498339,5.947207138,0.07636546,0.084819839,0.658700664,0.238179693,3.885512489,0.022869791,0.063202073,0.436718209,0.140021805,1.546726892,0.085352095,0.144811926,0.065410342,0.081404848,3.86E-04,9.26E-07,4.28E-31,3.82E-77,6.59E-145,2.19E-234,0,0,0,0,0,0,1.275307413,5.811661064,0.776374028,7.20250477,0.770566712,0.267534425,1.662630853,1.076448253,5.097705605,0.092791178,0.248709931,1.489672522,0.59032617,2.078805078,0.320444561,0.492697652,0.227498612,0.351653056,0.004020079,9.65E-06,4.46E-30,3.99E-76,6.86E-144,2.28E-233,0,0,0,0,0,0,4.443398039,5.811884427,3.191016053,21.07472045,9.256442423,0.966257644,5.314060089,7.607583937,11.86454712,0.561122292,1.862872558,6.459884848,3.791345114,4.36113328,1.67976411,2.876264282,0.99884917,2.339646622,0.048802366,1.17E-04,5.42E-29,4.84E-75,8.33E-143,2.77E-232,0,0,0,0,0,0,1.879562943,5.811684821,1.183440529,8.718462259,1.665869565,0.395837455,2.354465863,1.897669234,6.097973861,0.155944255,0.442253139,2.295056214,1.009973166,2.46974966,0.517720733,0.810646007,0.351914,0.608182478,0.008732148,2.10E-05,9.70E-30,8.66E-76,1.49E-143,4.95E-233,0,0,0,0,0,0,5.684859415,5.812038544,4.326213258,30.50340832,15.13733263,1.257609005,6.761209324,11.6668225,15.54232799,0.837127715,2.899397296,8.911401842,5.720234662,5.412274358,2.43147781,4.293247865,1.381346531,3.552044972,0.079882269,1.92E-04,8.87E-29,7.92E-75,1.36E-142,4.53E-232,0,0,0,0,0,0,2.660894079,4.505194832,1.762255734,10.3748601,3.1764498,0.462278281,3.672143472,2.911382206,7.356804651,0.224038733,0.708453377,3.493936244,1.491211858,3.931910824,0.843766728,1.644887007,0.55655195,1.051441862,0.016673084,4.00E-05,1.85E-29,1.65E-75,2.85E-143,9.45E-233,0,0,0,0,0,0,9.080188488,0.804072952,0.413783256,0.881739083,0.078080158,0.520606947,0.59589624,0.499989195,10.2980447,11.39107585,24.71020753,0.822608625,1.616492381,8.355894871,0.303918573,0.089205145,0.955066535,0.034737447,0.441044366,0.085171143,0.023237778,8.749018589,3.312011558,12.28756765,0.932599803,0.549453287,8.643324566,0.502799878,0.218117035,0.923013848,0.053693604,0.471807125,0.233279132,0.138929338,9.364241479,6.340788086,16.65293622,0.884520773,0.844015594,9.062233572,0.791713986,0.405747617,0.883284875,0.077167398,0.518552571,0.57777528,0.480758253,10.25969517,11.1729128,24.34372421,0.824927313,1.577086104,8.771545273,0.591347999,0.275578371,0.910055619,0.061352881,0.485873955,0.32265687,0.22177115,9.638471643,7.767246623,18.83515313,0.865083428,1.030301975,9.13640801,0.842758102,0.438940698,0.876973924,0.080893594,0.527066575,0.654396093,0.562634674,10.41810681,12.08004402,25.87789846,0.815460886,1.744097342,9.139061334,0.790939852,0.405754626,0.884218,0.076524626,0.527381383,0.576627893,0.480774863,10.33575581,11.25759173,24.52632369,0.826327,1.584784139 +UMLKV0097,L,TRANS-3-OCTENE,CCCCC=CCC,C8H16,Olefin (alkene) with single C=C double bond,Olefins,592-98-3,2.761976862,PubChem,,0.5606,0,-0.038,0.001444,35.3026,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1190.529654,1013.078141,826.396372,643.778859,461.161346,278.543833,84.835296,3885.475125,4800.404174,5835.09088,5418.88368,4464.654462,3634.760223,2804.865983,1974.971743,1061.424631,167.819552,166.665724,297.486168,362.252084,293.047888,250.717548,208.387208,166.056868,123.32736,29.42500648,37.33900896,50.13168111,49.55779744,40.76058708,33.74182834,26.7230696,19.70431086,12.01662072,3973.037281,3337.521256,6591.128897,8625.609131,6929.941219,5973.943916,5017.946613,4061.94931,3137.747111,41,48.5,72.25,79.25,64.75,54.25,43.5,34,24,48.76541633,52.3287937,28.34594414,19.48227194,19.6761041,17.88274608,15.37204487,11.60599304,4.713072,161.8947969,208.713225,138.9307352,104.2093015,106.3012967,100.9655617,93.49553276,82.29048929,58.96803508,6.992481333,7.246335826,7.083004,6.966386231,6.977330667,6.964376333,6.946240267,6.919036167,6.85152,1.226041937,1.623435172,1.193611455,0.953034566,0.970490169,0.93727301,0.890768987,0.821012953,0.66759004,165.54322,145.1096198,156.9316404,165.8770987,164.9986005,165.9428866,167.2648871,169.2478879,174.3192839,1.708333333,2.108695652,1.720238095,1.524038462,1.541666667,1.506944444,1.45,1.416666667,1.333333333,0.048042929,-0.004267344,-0.021216894,-0.001813525,-2.64E-04,6.86E-05,-0.001591007,0.001200155,-9.49E-04,645.6853813,-53.80711511,-242.132018,13.45177878,-40.35533633,-40.35533633,-40.35533633,-40.35533633,-2.74E-13,1200.679538,-100.0566282,-450.2548269,25.01415705,-75.04247115,-75.04247115,-75.04247115,-75.04247115,8.53E-14,0.126485333,-0.010540444,-0.047432,0.002635111,-0.007905333,-0.007905333,-0.007905333,-0.007905333,-1.09E-15,5.367596186,-0.447299682,-2.01284857,0.111824921,-0.335474762,-0.335474762,-0.335474762,-0.335474762,-4.47E-15,29.15686767,-2.429738973,-10.93382538,0.607434743,-1.822304229,-1.822304229,-1.822304229,-1.822304229,4.15E-14,3.5,-0.5625,-0.875,-0.125,-0.25,-0.125,-0.25,0.25,-0.375,0.002001789,-1.86E-04,-5.05E-04,-3.49E-05,-6.29E-06,1.90E-06,-5.30E-05,5.00E-05,-5.27E-05,26.90355756,-2.339439787,-5.765048048,0.258688053,-0.960841341,-1.120981565,-1.345177878,-1.681472347,-1.52E-14,50.0283141,-4.350288182,-10.72035302,0.481041482,-1.786725503,-2.084513087,-2.501415705,-3.126769631,4.74E-15,0.005270222,-4.58E-04,-0.001129333,5.07E-05,-1.88E-04,-2.20E-04,-2.64E-04,-3.29E-04,-6.03E-17,0.223649841,-0.019447812,-0.047924966,0.002150479,-0.007987494,-0.009318743,-0.011182492,-0.013978115,-2.48E-16,1.214869486,-0.105640825,-0.260329176,0.011681437,-0.043388196,-0.050619562,-0.060743474,-0.075929343,2.31E-15,0.145833333,-0.024456522,-0.020833333,-0.002403846,-0.005952381,-0.003472222,-0.008333333,0.010416667,-0.020833333,-0.092685449,-0.25235638,-0.017422159,-0.003144619,9.52E-04,-0.026493089,0.024980877,-0.0263425,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,-5.65E-16,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,9.47E-17,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,-1.14E-14,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,-1.11E-15,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,1.90E-15,-0.167701863,-0.142857143,-0.016483516,-0.040816327,-0.023809524,-0.057142857,0.071428571,-0.142857143,1.420179723,1.328515501,1.037280547,1.052505826,0.981226352,0.903692839,0.669706074,0.604795484,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.571428571,1.173469388,0.963598901,0.99744898,0.935515873,0.903571429,0.75297619,1.095238095,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,44.7670589,22.30019612,35.82675439,44.6420589,5.580257363,22.30019612,-0.166666667,0.158085531,0.019760691,-1.475695247,39.18655619,4.898319524,2.934666987,0,11.89,12.11011416,-0.160379096,0.061052222,5.128426353,7.339204103,7,23,22,22,6,1,1,0,0,1,17.491312,3.527490705,3.234110572,2.831210223,2.392754557,1.842618743,1.505597868,1.2138498,0.750244665,1.897571247,1.734535424,1.470969949,1.160038899,0.875561505,0.676142288,0.551222741,0.260450516,3.551173607,3.268388379,2.876716151,2.448828435,1.923404201,1.601924298,1.330322032,0.886687543,1.84104913,1.662807566,1.383217965,1.058030055,0.746913597,0.536249299,0.398519435,0.093346384,3.657561912,3.418589157,3.073950685,2.68992671,2.261475488,1.995116805,1.791984456,1.417565245,1.679235415,1.448403886,1.112541047,0.736584028,0.325018697,0.067363139,0.125331865,0.488991305,3.568742156,3.29362483,2.910129036,2.489924856,1.982138152,1.671367871,1.413421059,0.983429672,1.805433811,1.616809906,1.326202038,0.99118314,0.661328654,0.442472911,0.295320977,0.02019177,3.71068298,3.491190721,3.167537655,2.802732236,2.414061303,2.167815127,1.988672893,1.639106613,1.63025996,1.380651064,1.02454834,0.629922767,0.178847098,0.099571477,0.317320309,0.706696498,3.606424235,3.308759618,2.985936889,2.580127997,2.050735357,1.75082089,1.495311531,1.142058977,1.789206489,1.565224221,1.2412358,0.868080487,0.562276236,0.328787169,0.180828733,0.186892212,0,0,0,2,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.983127663,3.564043477,2.021881336,1.12671313,0.606493072,0.319035594,0.166666667,0.083333333,0.747890958,0.509149068,0.336980223,0.225342626,0.151623268,0.106345198,0.083333333,0.083333333,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,6,2,0,2,0,0,0,0,0,0,0,0,2,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.499166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.590069444,0,0,1.509930556,0.580555556,0,0.590069444,0,0,0,0,0,0,0,0,4.391102608,0,5.109730726,0,4.499166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.231805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,0.216944444,0.290277778,0,0.290694444,0,0,0,0,0,0,0,0,2.169092971,0,1.184240363,0,2.231805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.299375,0,0,0.290277778,0.290277778,0,0.299375,0,0,0,0,0,0,0,0,2.222009637,0,1.34375,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,1.75,0.299375,2.267361111,0.216944444,1.184240363,5.619613203,0.315759637,0.267361111,1.780538549,0.315759637,0.267361111,1.780538549,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.25,0,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,6.79509,0.84939,7.95768,1.16259,0.14532,3.37132,0.42142,3.91421,0.54289,0.06786,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,0.75,0.918295834,1.947338796,3.105388542,3.772055209,3.772055209,3.340199877,22.03910002,46.73613111,74.52932501,90.52932501,90.52932501,80.16479704,0.200284263,0.424722949,0.677298569,0.822701431,0.822701431,0.728511929,3.666666667,2.637623705,1.479573959,0.812907292,0.812907292,1.244762624,0.200284263,0.424722949,0.677298569,0.822701431,0.822701431,0.728511929,6.73287657,15.09808847,19.01324374,20.60114167,19.68512709,17.98813392,31.59900002,21.28780565,17.50651667,14.40739375,15.48446146,18.47455824,8,7,7.2,8,2,8,2.34,1.1928,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.706,6,5,4,3,2,1,0,0,0,36,2.197224577,2.197224577,2.197224577,2.079441542,1.945910149,1.609437912,1.098612289,0,0,0,3.951243719,1.416666667,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,144.287877,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,112.1252005,4.671883355,14.83110795,1.853888494,0,0,0,84,5,4.376,26,1.214926093,2.112410691,2.884739015,3.676871757,5.017466033,6.005550691,7.303278614,8.327155483,9.506121109,0,74.61652681,68.01990139,68.72082726,92.71854251,105.6657265,109.0685209,95.32626321,42.17708019,9.658827438,0,279.3678428,317.1785546,333.0075804,459.0605425,554.8436421,620.4879317,639.6431024,513.1397124,295.4858391,0,8.839091837,15.01772523,20.15604119,25.84972624,35.06387398,41.89467609,50.65344099,57.15914506,63.86653245,0,2.112319448,2.667406507,2.936693314,4.015173421,5.005546766,5.743615071,6.257834914,5.735878745,4.22654412,0,174.0979044,327.4855272,474.4093552,592.0617826,823.7958218,991.005491,1226.801989,1443.182516,1757.849595,0,2.651248063,3.760645893,4.552128725,6.097390811,7.842767441,9.081541745,10.63997669,11.36710538,9.506121109,0,0.437772797,0.563915466,0.627516725,0.855666,1.072986875,1.236162047,1.359109696,1.270997827,0.973426802,0,382.3574823,183.9501492,10.73995475,96.39011672,-46.37277202,-6.277830616,285.9673656,230.3229212,17.01778537,0.798661932,0.384232004,0.022433438,0.201338068,-0.096862673,-0.013113028,183.0527266,88.06569227,5.141727552,46.14653695,-22.20085326,-3.005496334,0.118262635,0.183312312,1.752861849,1.279813349,478.747599,0,1,0,456.9849343,21.37720595,7.702539974,617.1675503,24.84285713,8.514014023,686.2094223,26.19559929,8.820344726,2.75150776,2.738374985,999.4763339,974.1931026,44.25466438,1.025952998,22.58465516,22.01334292,4.432659634,5.923877894,10.53162572,0.777826266,6.513692141,5.8907247,3.037344479,24.21015051,10.96536647,1.555738887,5.227233006,6.389358571,14.83661139,0.064161595,2.53338046,9.058889973,1.879126142,10.62063617,0.001404092,3.640108273,2.882020347,0.632471775,5.34E-04,0.904820586,2.97E-10,1.88E-41,2.29E-94,5.40E-169,2.45E-265,0,0,0,0,0,0.546657094,5.884593891,0.250571313,6.125418525,0.083834193,0.129030169,0.885159806,0.069737201,4.250957835,4.54E-04,0.10926446,0.65956587,0.052288938,2.29391507,9.91E-06,0.104938485,0.083133748,0.047481432,3.81E-06,0.006372725,2.09E-12,1.32E-43,1.62E-96,3.81E-171,1.73E-267,0,0,0,0,0,1.764656159,5.885003716,0.811729196,7.429952612,0.821763379,0.414322967,1.771226712,0.532495431,5.565004972,0.004715359,0.412602178,2.107079889,0.238254759,3.448350111,1.03E-04,0.464260048,0.371549261,0.15696423,3.93E-05,0.066408712,2.18E-11,1.38E-42,1.68E-95,3.97E-170,1.80E-266,0,0,0,0,0,6.148394531,5.890051644,2.86402261,22.25859401,9.77449151,1.466299365,4.9613285,5.709835951,13.88902716,0.057168504,2.317239937,8.450245254,1.701158624,9.917997281,0.001251033,3.295524355,2.610594959,0.593147523,4.75E-04,0.806178852,2.65E-10,1.67E-41,2.04E-94,4.81E-169,2.19E-265,0,0,0,0,0,2.600774334,5.885534938,1.199227415,9.034207825,1.768728403,0.611927932,2.379555959,1.095780583,6.71846299,0.010236393,0.677687211,3.180020941,0.421418029,4.402722537,2.24E-04,0.818492049,0.653535418,0.235068033,8.52E-05,0.144248596,4.73E-11,3.00E-42,3.66E-95,8.62E-170,3.91E-266,0,0,0,0,0,7.866224768,5.893554772,3.682162995,32.39466377,15.97041532,1.889274663,6.211855235,9.237595637,18.68519229,0.093565707,3.410562809,11.41966161,2.613145241,13.44119585,0.002047679,5.061467284,4.00061921,0.782058892,7.78E-04,1.319595788,4.33E-10,2.74E-41,3.35E-94,7.88E-169,3.58E-265,0,0,0,0,0,3.741460426,5.33360478,1.78791257,12.05101038,3.606656959,0.86794049,3.433355112,2.180190136,8.520383188,0.020959649,1.106070571,4.566004621,0.730283024,5.771899252,4.59E-04,1.352396907,1.205134881,0.389268482,1.74E-04,0.29545162,9.70E-11,6.14E-42,7.49E-95,1.76E-169,8.01E-266,0,0,0,0,0,10.32154796,0.809909971,0.392169447,0.895685674,0.070282555,0.584934046,0.630252737,0.499988198,11.52362738,12.72494231,27.52691983,0.843528512,1.715174981,8.610228935,0.310003337,0.084545549,0.956184495,0.034426539,0.407448206,0.093151494,0.023237732,9.004777821,3.423365637,12.65381241,0.934276743,0.523837432,9.28968978,0.508769551,0.206723776,0.928487733,0.050850599,0.474070399,0.250174645,0.138929061,10.00518311,6.751885811,17.73410984,0.892731599,0.863174105,10.27916002,0.797554193,0.384553546,0.896860647,0.069586909,0.580149646,0.611332417,0.480757294,11.46126776,12.45777691,27.07168662,0.845290971,1.672239357,9.592651993,0.597269285,0.261183641,0.91786008,0.057148913,0.505409012,0.344234943,0.221770709,10.45110492,8.390837136,20.33836667,0.876790119,1.071414664,10.4542591,0.848586797,0.4160128,0.892088502,0.072412068,0.600040961,0.691300569,0.562633552,11.7188587,13.5734748,28.98292709,0.838132753,1.853975081,10.29636978,0.797503259,0.38490705,0.89699164,0.069476308,0.582071175,0.610883375,0.48164158,11.47878009,12.4814984,27.12089979,0.84548746,1.67459613 +UMLKV0098,L,TRANS-4-OCTENE,CCCC=CCCC,C8H16,Olefin (alkene) with single C=C double bond,octenes,14850-23-8,2.761976862,PubChem,,0.5613,0,0.5056,0.25563136,36.8428,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1190.529654,1013.078141,815.305348,640.730667,472.25237,281.592025,84.835296,3885.475125,4800.404174,5835.09088,5418.88368,4381.00159,3541.508989,2888.518855,2068.222976,1061.424631,167.819552,166.665724,297.486168,362.252084,292.64872,230.562156,208.786376,186.21226,123.32736,29.42500648,37.33900896,50.13168111,49.55779744,40.09165568,32.40798963,27.39200101,21.03814958,12.01662072,3973.037281,3337.521256,6591.128897,8625.609131,6961.736324,5419.19096,4986.151509,4616.702266,3137.747111,41,48.5,72,80.25,65.5,50.25,43,37,24,48.76541633,52.3287937,28.34594414,19.48227194,19.4120321,19.41608082,15.74174567,10.42933426,4.713072,161.8947969,208.713225,138.9307352,104.2093015,104.3095617,107.3184542,96.28396182,76.60085098,58.96803508,6.992481333,7.246335826,7.083004,6.966386231,6.967826667,6.986732,6.959545867,6.89675037,6.85152,1.226041937,1.623435172,1.193611455,0.953034566,0.95456323,0.982060292,0.9130667,0.779190725,0.66759004,165.54322,145.1096198,156.9316404,165.8770987,165.7556268,164.2179079,166.2050503,170.9889728,174.3192839,1.708333333,2.108695652,1.714285714,1.543269231,1.55952381,1.522727273,1.433333333,1.37037037,1.333333333,0.048115405,-0.004461952,-0.022700757,0.003048331,-0.002523186,-0.004721225,0.002805121,0.001379413,-0.00163888,645.6853813,-53.80711511,-242.132018,13.45177878,-1.60E-13,-80.71067267,-80.71067267,-3.02E-13,-2.74E-13,1200.679538,-100.0566282,-450.2548269,25.01415705,1.42E-13,-150.0849423,-150.0849423,1.42E-13,8.53E-14,0.126485333,-0.010540444,-0.047432,0.002635111,-3.70E-16,-0.015810667,-0.015810667,-1.09E-15,-1.09E-15,5.367596186,-0.447299682,-2.01284857,0.111824921,-9.16E-16,-0.670949523,-0.670949523,-4.25E-15,-4.47E-15,29.15686767,-2.429738973,-10.93382538,0.607434743,1.31E-14,-3.644608459,-3.644608459,4.15E-14,4.15E-14,3.5,-0.5625,-1.125,0.25,-0.125,-0.6875,-0.125,0.4375,-0.375,0.002004809,-1.94E-04,-5.40E-04,5.86E-05,-6.01E-05,-1.43E-04,9.35E-05,5.11E-05,-9.10E-05,26.90355756,-2.339439787,-5.765048048,0.258688053,-3.81E-15,-2.44577796,-2.690355756,-1.12E-14,-1.52E-14,50.0283141,-4.350288182,-10.72035302,0.481041482,3.38E-15,-4.548028554,-5.00283141,5.26E-15,4.74E-15,0.005270222,-4.58E-04,-0.001129333,5.07E-05,-8.82E-18,-4.79E-04,-5.27E-04,-4.04E-17,-6.03E-17,0.223649841,-0.019447812,-0.047924966,0.002150479,-2.18E-17,-0.020331804,-0.022364984,-1.57E-16,-2.48E-16,1.214869486,-0.105640825,-0.260329176,0.011681437,3.12E-16,-0.110442681,-0.121486949,1.54E-15,2.31E-15,0.145833333,-0.024456522,-0.026785714,0.004807692,-0.00297619,-0.020833333,-0.004166667,0.016203704,-0.020833333,-0.096766294,-0.269598918,0.029240568,-0.029965888,-0.071362136,0.04663988,0.025483418,-0.045415253,-0.086956522,-0.214285714,0.009615385,-1.41E-16,-0.090909091,-0.1,-4.16E-16,-5.65E-16,-0.086956522,-0.214285714,0.009615385,6.76E-17,-0.090909091,-0.1,1.05E-16,9.47E-17,-0.086956522,-0.214285714,0.009615385,-1.67E-15,-0.090909091,-0.1,-7.67E-15,-1.14E-14,-0.086956522,-0.214285714,0.009615385,-9.75E-17,-0.090909091,-0.1,-7.03E-16,-1.11E-15,-0.086956522,-0.214285714,0.009615385,2.57E-16,-0.090909091,-0.1,1.27E-15,1.90E-15,-0.167701863,-0.183673469,0.032967033,-0.020408163,-0.142857143,-0.028571429,0.111111111,-0.142857143,1.425677748,1.340886292,0.979066547,1.172229138,1.149922886,0.710370311,0.605573931,0.618780145,1.5,1.334821429,0.912259615,0.924107143,1.045454545,1.00625,0.798611111,0.71875,1.5,1.334821429,0.912259615,0.924107143,1.045454545,1.00625,0.798611111,0.71875,1.5,1.334821429,0.912259615,0.924107143,1.045454545,1.00625,0.798611111,0.71875,1.5,1.334821429,0.912259615,0.924107143,1.045454545,1.00625,0.798611111,0.71875,1.5,1.334821429,0.912259615,0.924107143,1.045454545,1.00625,0.798611111,0.71875,1.571428571,1.212585034,0.947802198,1.056122449,1.045454545,0.766666667,0.669312169,1.095238095,39.81210221,19.90605111,31.45595562,39.81210221,4.976512776,19.90605111,1.07E-14,5.55E-16,6.94E-17,-28.10189013,46.15774863,5.769718579,3.065651878,39.81210221,19.90605111,31.45595562,39.81210221,4.976512776,19.90605111,1.07E-14,5.55E-16,6.94E-17,-28.10189013,46.15774863,5.769718579,3.065651878,39.81210221,19.90605111,31.45595562,39.81210221,4.976512776,19.90605111,1.07E-14,5.55E-16,6.94E-17,-28.10189013,46.15774863,5.769718579,3.065651878,39.81210221,19.90605111,31.45595562,39.81210221,4.976512776,19.90605111,1.07E-14,5.55E-16,6.94E-17,-28.10189013,46.15774863,5.769718579,3.065651878,39.81210221,19.90605111,31.45595562,39.81210221,4.976512776,19.90605111,1.07E-14,5.55E-16,6.94E-17,-28.10189013,46.15774863,5.769718579,3.065651878,39.81210221,19.90605111,31.45595562,39.81210221,4.976512776,19.90605111,1.07E-14,5.55E-16,6.94E-17,-28.10189013,46.15774863,5.769718579,3.065651878,44.16620805,21.99977069,34.61092785,44.04120805,5.505151006,21.99977069,-0.166666667,8.88E-16,1.11E-16,-27.72588722,60.06740012,7.508425015,3.276373814,0,11.89,12.11011416,-0.168912021,0.051561084,5.140065502,7.202985825,7,23,22,22,6,1,1,0,0,1,17.491312,3.531092782,3.216500786,2.869901893,2.330331032,1.922990144,1.427533299,1.250695299,0.748770527,1.895748223,1.740392016,1.461717742,1.166111283,0.88270792,0.658039775,0.561483039,0.260231199,3.554404785,3.252831123,2.911155362,2.39241487,1.997022214,1.530007634,1.36406611,0.885469075,1.8399447,1.666231592,1.378978703,1.056769624,0.761425094,0.512696334,0.41093216,0.093081751,3.65912492,3.411335732,3.091354536,2.65768536,2.308428908,1.946180134,1.815009902,1.416965586,1.680464059,1.442649629,1.12689949,0.70867222,0.367311768,0.022232919,0.103968651,0.489523771,3.571697159,3.279544313,2.941517817,2.437831855,2.050922761,1.603771955,1.445049763,0.982363188,1.804811285,1.618506105,1.325481091,0.984830156,0.681025895,0.415022076,0.309297621,0.020493383,3.711433242,3.487495056,3.177725729,2.780756788,2.450029769,2.127758149,2.007862938,1.638652831,1.632248229,1.371415381,1.045992291,0.591941884,0.232038084,0.153697611,0.291981511,0.707400829,3.608036414,3.285009086,3.041123948,2.504637278,2.133104503,1.680721406,1.526764541,1.140667771,1.775840195,1.596526627,1.206354878,0.890691598,0.564606323,0.309014501,0.192733423,0.187131169,0,0,0,2,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.983127663,3.564043477,2.04875479,1.077350269,0.569035594,0.319035594,0.166666667,0.083333333,0.747890958,0.509149068,0.341459132,0.215470054,0.142258898,0.106345198,0.083333333,0.083333333,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,6,2,0,2,0,0,0,0,0,0,0,0,2,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.534722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.581388889,0,0,1.518611111,0.580555556,0,0.581388889,0,0,0,0,0,0,0,0,4.409297052,0,5.055980726,0,4.534722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,0.225625,0.290277778,0,0.290694444,0,0,0,0,0,0,0,0,2.204648526,0,1.25,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,0.290277778,0.290277778,0,0.290694444,0,0,0,0,0,0,0,0,2.204648526,0,1.277990363,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,1.75,0.290694444,2.267361111,0.225625,1.25,5.611521259,0.25,0.267361111,1.888038549,0.25,0.267361111,1.888038549,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.25,0,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,6.78264,0.84783,7.95768,1.17504,0.14688,3.37132,0.42142,3.91421,0.54289,0.06786,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,0.75,0.918295834,1.947338796,2.855388542,2.855388542,2.855388542,2.688721876,22.03910002,46.73613111,68.52932501,68.52932501,68.52932501,64.52932501,0.200284263,0.424722949,0.622772496,0.622772496,0.622772496,0.586421781,3.666666667,2.637623705,1.729573959,1.729573959,1.729573959,1.896240625,0.200284263,0.424722949,0.622772496,0.622772496,0.622772496,0.586421781,6.73287657,15.09808847,16.01324374,16.01324374,16.01324374,14.01324374,31.59900002,21.28780565,21.38396042,21.38396042,21.38396042,24.55388542,8,7,7.2,8,2,8,2.34,1.1928,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.706,6,5,4,3,2,1,0,0,0,36,2.197224577,2.197224577,2.197224577,2.197224577,1.945910149,1.609437912,1.098612289,0,0,0,3.970291914,1.444444444,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,144.287877,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,112.1252005,4.671883355,14.83110795,1.853888494,0,0,0,84,5,4.376,26,1.214938495,2.11247533,2.885256054,3.668568334,5.053286671,6.045104876,7.269846562,8.335576284,9.589813307,0,74.61830788,68.04194638,68.68624494,91.5750141,115.1995077,111.6624925,85.83128185,42.45569879,9.743864068,0,279.3730764,317.2360317,332.9735356,450.3551549,593.4048301,640.7856002,593.508949,515.4383804,298.087306,0,8.839185329,15.01825575,20.15960355,25.75380602,35.43102523,42.25111205,50.25375136,57.2254395,64.42881547,0,2.112353933,2.667751522,2.936770136,3.944064323,5.28148179,5.913457115,5.912671012,5.755910987,4.263754751,0,174.0994785,327.4909932,474.4956074,593.7219229,820.7097035,991.0978496,1234.284537,1443.965471,1773.32576,0,2.651168081,3.746519746,4.622173183,6.172552178,7.968662421,9.014936086,10.2385606,11.39987583,9.589813307,0,0.437779754,0.563983596,0.627545089,0.840951578,1.129039784,1.271525365,1.288587742,1.275210629,0.981996883,0,382.2911161,183.818907,10.7183979,98.24558716,-47.23990615,-6.547785393,284.045529,231.0588132,17.26618329,0.795550295,0.382528339,0.022305056,0.204449705,-0.098306551,-0.013625984,183.7049126,88.33173157,5.150583592,47.21061057,-22.70050877,-3.146451207,0.118326526,0.182891097,1.751191202,1.38040281,480.5367033,0,1,0,456.9641844,21.37672062,7.702423392,617.1468357,24.84244021,8.513918767,686.0406734,26.19237815,8.819621649,3.192477235,3.192477235,1006.606399,983.5406398,42.03556815,1.02345176,23.94653964,23.39781959,4.407034346,5.879748759,10.5130822,0.788015548,6.513763863,5.882265749,3.061506073,23.78664002,10.47551737,1.71505541,5.24528326,7.037721952,11.61893389,0.046609014,0.728968706,10.72798746,2.889974109,10.36095923,0.001715563,4.318178179,4.381412202,0.384612506,0.010073044,0.98303122,5.05E-11,5.01E-43,9.57E-97,3.53E-172,2.51E-269,0,0,0,0,0,0.546663042,5.876122039,0.252603097,6.132885933,0.079292271,0.144233158,0.804854384,0.067593502,4.167740082,3.35E-04,0.043138719,0.819079621,0.049524338,2.312659917,1.23E-05,0.063500782,0.333604405,0.0306583,7.11E-05,0.006923569,3.56E-13,3.53E-45,6.74E-99,2.48E-174,1.77E-271,0,0,0,0,0,1.764675534,5.876532726,0.818285361,7.393876635,0.783005988,0.463022575,1.710656881,0.562841897,5.141084002,0.003437024,0.148208572,2.57221726,0.287051155,3.418133181,1.26E-04,0.401677862,1.074454964,0.100035905,7.40E-04,0.07214893,3.71E-12,3.67E-44,7.02E-98,2.59E-173,1.84E-270,0,0,0,0,0,6.148462226,5.881591277,2.886831985,21.87718497,9.337292957,1.61823672,4.973236891,6.282895697,10.96905313,0.04153213,0.674628202,10.02603753,2.595000185,9.67814929,0.001528666,3.870109681,4.103398986,0.361927667,0.008975026,0.875863119,4.50E-11,4.46E-43,8.52E-97,3.14E-172,2.23E-269,0,0,0,0,0,2.600802925,5.877065065,1.208887283,8.95504897,1.687229024,0.68241049,2.332635212,1.178209359,5.97184893,0.007450172,0.230704995,3.855705984,0.55173278,4.336558103,2.74E-04,0.791280879,1.608380688,0.14851421,0.001606435,0.156717117,8.05E-12,7.98E-44,1.53E-97,5.62E-173,4.00E-270,0,0,0,0,0,7.866311398,5.885101776,3.711328348,31.79742475,15.25957784,2.074274096,6.252782973,10.20505942,14.24510887,0.067954317,0.94419472,13.43523639,4.119611142,13.10494006,0.00250137,6.190180086,5.445070427,0.469757866,0.014689994,1.433658648,7.37E-11,7.30E-43,1.40E-96,5.14E-172,3.66E-269,0,0,0,0,0,3.743523508,5.32861907,1.805690976,11.76789093,3.441737802,0.838537614,3.521325123,2.374419571,7.164914296,0.015245287,0.392584012,5.571818544,1.00561158,5.907098224,5.61E-04,1.480102425,2.66682579,0.244296782,0.00328993,0.320989786,1.65E-11,1.63E-43,3.12E-97,1.15E-172,8.19E-270,0,0,0,0,0,10.54322198,0.781778011,0.392135873,0.899812215,0.066720914,0.59917389,0.617081868,0.499987898,11.71713586,12.68339786,27.63269762,0.849718323,1.716243655,8.686890731,0.290220324,0.084538311,0.958643441,0.032027318,0.406954904,0.086006761,0.023237718,9.061649366,3.280022052,12.55480199,0.937965162,0.516199383,9.423976946,0.485639383,0.206706078,0.931561546,0.048005526,0.478826145,0.2398298,0.138928978,10.11632241,6.625032278,17.68737696,0.89734232,0.857584923,10.497247,0.769625876,0.384520624,0.900943479,0.066054406,0.593964005,0.598228784,0.480757006,11.6513935,12.4112979,27.16921542,0.851415219,1.672949795,9.752611618,0.572660693,0.261161281,0.921236745,0.054093826,0.512760343,0.332806886,0.221770576,10.58643359,8.281498665,20.32650164,0.881855117,1.067337806,10.68716224,0.819818228,0.415977184,0.896351606,0.068759636,0.615632804,0.677947242,0.562633214,11.92295765,13.54817173,29.11572613,0.844527409,1.856213261,10.50957572,0.769646095,0.384874097,0.901019316,0.065984205,0.595354418,0.598020843,0.481641291,11.66409591,12.42973423,27.20694351,0.851528974,1.675016552 +UMLKV0099,L,2-ETHYL-1-HEXENE,CCCCC(=C)CC,C8H16,Olefin (alkene) with single C=C double bond,Olefins,1632-16-2,2.751118467,PubChem,,0.5469,0,0.3565,0.12709225,35.8649,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1311.595663,1200.690294,902.087092,652.923435,340.095337,90.93168,9.144576,3885.475125,4800.404174,6060.218294,6145.928325,5246.325394,3914.513922,2579.738569,1247.927098,279.7536999,167.819552,166.665724,297.509884,364.670808,355.909072,311.183724,208.363492,163.638144,60.466176,29.42500648,37.33900896,51.13810539,54.57781016,48.77569166,37.74334449,25.71664532,14.68429815,4.001516144,3973.037281,3337.521256,6596.59581,8440.305418,8403.429462,7638.202784,5012.4797,4247.253023,1664.258868,44.77777778,50.5,72.33333333,88.08333333,83.41666667,66.5,48,30,9,48.76541633,52.3287937,31.22846817,23.09019796,17.6879822,14.50940967,11.33651123,3.78882,1.016064,161.8947969,208.713225,144.2909118,118.1909293,102.8691254,86.98919828,85.99128564,51.99696242,31.08374443,6.992481333,7.246335826,7.083568667,7.012900154,6.978609255,6.915193867,6.945449733,6.818256,6.718464,1.226041937,1.623435172,1.217573938,1.049573272,0.956386111,0.838740989,0.857221511,0.611845756,0.444612905,165.54322,145.1096198,157.061805,162.3135657,164.7731267,169.7378397,167.0826567,176.9688759,184.917652,1.865740741,2.195652174,1.722222222,1.693910256,1.635620915,1.477777778,1.6,1.25,1,0.047195574,-0.006231072,-0.010857093,-0.009908628,-0.005928933,0.008797448,-0.010753784,0.006470448,0.004813828,645.6853813,-53.80711511,-121.066009,-107.6142302,-161.4213453,80.71067267,-161.4213453,80.71067267,121.066009,1200.679538,-100.0566282,-225.1274134,-200.1132564,-300.1698846,150.0849423,-300.1698846,150.0849423,225.1274134,0.126485333,-0.010540444,-0.023716,-0.021080889,-0.031621333,0.015810667,-0.031621333,0.015810667,0.023716,5.367596186,-0.447299682,-1.006424285,-0.894599364,-1.341899046,0.670949523,-1.341899046,0.670949523,1.006424285,29.15686767,-2.429738973,-5.466912688,-4.859477945,-7.289216918,3.644608459,-7.289216918,3.644608459,5.466912688,5.592592593,-1.391975309,-0.074074074,-0.154320988,-1.981481481,1.333333333,-1.407407407,0.185185185,0.694444444,0.001966482,-2.71E-04,-2.59E-04,-1.91E-04,-1.16E-04,1.95E-04,-3.58E-04,2.70E-04,5.35E-04,26.90355756,-2.339439787,-2.882524024,-2.069504427,-3.165124418,1.793570504,-5.380711511,3.362944694,13.45177878,50.0283141,-4.350288182,-5.36017651,-3.848331854,-5.885684011,3.33522094,-10.00566282,6.253539262,25.01415705,0.005270222,-4.58E-04,-5.65E-04,-4.05E-04,-6.20E-04,3.51E-04,-0.001054044,6.59E-04,0.002635111,0.223649841,-0.019447812,-0.023962483,-0.017203834,-0.026311746,0.014909989,-0.044729968,0.02795623,0.111824921,1.214869486,-0.105640825,-0.130164588,-0.093451499,-0.142925822,0.080991299,-0.242973897,0.151858686,0.607434743,0.233024691,-0.060520666,-0.001763668,-0.002967711,-0.038852578,0.02962963,-0.04691358,0.007716049,0.077160494,-0.137766901,-0.131454127,-0.096899195,-0.059117542,0.099415515,-0.182284619,0.137098616,0.271993163,-0.086956522,-0.107142857,-0.076923077,-0.117647059,0.066666667,-0.2,0.125,0.5,-0.086956522,-0.107142857,-0.076923077,-0.117647059,0.066666667,-0.2,0.125,0.5,-0.086956522,-0.107142857,-0.076923077,-0.117647059,0.066666667,-0.2,0.125,0.5,-0.086956522,-0.107142857,-0.076923077,-0.117647059,0.066666667,-0.2,0.125,0.5,-0.086956522,-0.107142857,-0.076923077,-0.117647059,0.066666667,-0.2,0.125,0.5,-0.259717823,-0.00756859,-0.012735609,-0.166731593,0.127152318,-0.201324503,0.033112583,0.331125828,1.470445424,1.150947361,1.067690113,1.086344513,0.814883273,1.127719442,0.517290911,2.20E-05,1.5,1.232142857,1.078125,1.056985294,0.766666667,1.078125,0.5390625,0,1.5,1.232142857,1.078125,1.056985294,0.766666667,1.078125,0.5390625,0,1.5,1.232142857,1.078125,1.056985294,0.766666667,1.078125,0.5390625,0,1.5,1.232142857,1.078125,1.056985294,0.766666667,1.078125,0.5390625,0,1.5,1.232142857,1.078125,1.056985294,0.766666667,1.078125,0.5390625,0,1.639072848,0.737109745,1.097347809,1.310381769,0.689238411,1.336589404,0.514072848,0,37.81778285,18.90889143,29.61996954,37.81778285,4.727222856,18.90889145,2.13E-14,0.112162069,0.014020259,-1.750248329,115.5799208,14.4474901,3.799969797,37.81778285,18.90889143,29.61996954,37.81778285,4.727222856,18.90889145,2.13E-14,0.112162069,0.014020259,-1.750248329,115.5799208,14.4474901,3.799969797,37.81778285,18.90889143,29.61996954,37.81778285,4.727222856,18.90889145,2.13E-14,0.112162069,0.014020259,-1.750248329,115.5799208,14.4474901,3.799969797,37.81778285,18.90889143,29.61996954,37.81778285,4.727222856,18.90889145,2.13E-14,0.112162069,0.014020259,-1.750248329,115.5799208,14.4474901,3.799969797,37.81778285,18.90889143,29.61996954,37.81778285,4.727222856,18.90889145,2.13E-14,0.112162069,0.014020259,-1.750248329,115.5799208,14.4474901,3.799969797,37.81778285,18.90889143,29.61996954,37.81778285,4.727222856,18.90889145,2.13E-14,0.112162069,0.014020259,-1.750248329,115.5799208,14.4474901,3.799969797,50.3653744,24.96602053,39.95461562,50.0403744,6.2550468,24.96602053,-0.433333333,0.148974788,0.018621849,-1.523182555,40.45481662,5.056852077,2.96014857,0,11.89,12.11011416,-0.159019175,0.062701657,5.188884006,8.157069478,7,23,22,22,6,1,1,0,0,1,17.491312,3.560132614,3.204010701,2.75714451,2.452506961,1.803619134,1.651400978,1.243435149,0.406196776,1.910416304,1.715318816,1.43441195,1.210084338,0.855081948,0.791456022,0.57421595,0.083923071,3.582041856,3.239117124,2.806165771,2.507669618,1.88636247,1.744687189,1.358817293,0.522490536,1.855960103,1.642236777,1.342934928,1.108993182,0.724802828,0.654375851,0.421650875,0.270913902,3.681400498,3.392847482,3.017099149,2.74515114,2.231622439,2.126256065,1.817179942,0.962616186,1.701820624,1.423335956,1.058074999,0.791179957,0.296340681,0.196555136,0.10056344,0.943918427,3.598345091,3.26495948,2.842076602,2.548111606,1.94646183,1.811971773,1.441203419,0.604304782,1.821798003,1.595329752,1.28328281,1.042804498,0.638044438,0.56260214,0.318632223,0.399277246,3.731550406,3.467070693,3.116308164,2.856481329,2.386942295,2.294408466,2.012929736,1.207644823,1.655760954,1.354037611,0.96450291,0.685992213,0.147385122,0.034216531,0.291486128,1.138231883,3.652512134,3.259559328,2.951009828,2.659417804,2.022948642,1.858911046,1.488450565,0.669245674,1.845408746,1.575869731,1.21468099,0.876551764,0.541017917,0.452801461,0.237542595,0.545454545,0,0,1,0,1,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.176776695,0,0,0,0.49279928,0.348461713,0.288675135,0.301776695,0.213388348,0.176776695,6.405777394,3.808060412,2.655648531,1.747400241,0.756710003,0.49279928,0.144337567,0,0.800722174,0.54400863,0.379378362,0.291233373,0.189177501,0.164266427,0.144337567,0,6.035533906,3.474873734,2.207106781,1.383883476,0.603553391,0.375,0.125,0,0.754441738,0.496410533,0.315300969,0.230647246,0.150888348,0.125,0.125,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,63,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,6,2,0,1,0,0,0,0,0,0,0,0,2,1,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.305925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.34625,0,0,0,1.509930556,0.580555556,0,0.34625,0,0,0,0,0,0,0,0,4.375925926,3.910694444,4.984814815,0,0,0,0,0,0,1.395231481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.395231481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.34625,0,0,0,0.216944444,0.290277778,0,0.34625,0,0,0,0,0,0,0,0,2.164675926,3.910694444,1.152777778,0,0,0,0,0,0,1.395231481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.910694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.34625,0,0,0,0.290277778,0.290277778,0,0.34625,0,0,0,0,0,0,0,0,2.21125,3.910694444,1.312175926,0,0,0,0,0,0,1.395231481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66666667,1.833333333,0.34625,3.910694444,0.043819444,1.152777778,5.339953935,0.347222222,0.910694444,2.573240741,0.347222222,0.910694444,2.573240741,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.375,0.125,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.10102,0.88763,8.4771,1.37608,0.17201,3.30487,0.41311,3.80805,0.50319,0.0629,0.10595,0.01324,0.10595,0.01324,0,7,0,0,0,0,0,0,0.75,0.918295834,2.03067213,3.188721876,3.772055209,3.688721876,3.295400397,22.03910002,48.73613111,76.52932501,90.52932501,88.52932501,79.08960954,0.200284263,0.442898307,0.695473927,0.822701431,0.804526073,0.718740971,3.666666667,2.554290371,1.396240625,0.812907292,0.896240625,1.289562103,0.200284263,0.442898307,0.695473927,0.822701431,0.804526073,0.718740971,6.73287657,16.09808847,20.01324374,20.60114167,19.60114167,17.10479619,31.59900002,19.9953244,16.21403542,14.40739375,15.699875,15.18846813,8,5.142857143,5,8,2,7,2.34,1.1928,0.66943295,4.653771984,1.5,0,3.14734519,2.555772417,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.104,0.088,0.143,0.175,3.636,7,6,4,3,1,0,0,0,0,36,2.197224577,2.302585093,2.197224577,1.791759469,1.609437912,0.693147181,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.666666667,0.25,0.16,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.041666667,0.04,0.018518519,0,0,0,0,0,0.409708995,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,0,144.287877,4,3.36729583,4.007333185,4.691347882,5.361292166,6.052089169,6.72982407,7.422373701,8.102586425,8.795582217,69.52972465,2.708050201,0,3.761200116,0,4.990432587,0,6.289715571,0,7.623153068,7.934871566,112.1252005,4.671883355,14.66013744,1.832517181,0,0,0,76,6,3.914,28,1.226391304,2.125011599,2.905532293,3.617466375,4.512788519,5.773485713,6.755642456,8.057986413,0,0,74.73814722,75.17831838,76.3976357,77.83933253,80.69139948,75.42327116,28.31522429,8.187429907,0,0,280.6431588,331.6550608,369.1603575,413.541365,444.7979745,534.3439731,371.783002,250.4723903,0,0,8.920641989,15.10880535,20.43121444,25.34619915,31.36060235,40.22316745,46.15956822,54.13729163,0,0,2.124868553,2.739705745,3.204210632,3.718102025,4.130625508,5.20893887,4.2974206,3.582684746,0,0,175.8569114,329.7298169,467.7011405,588.6655456,754.4090525,955.1944147,1187.742889,1490.063928,0,0,2.759978261,3.800025449,5.042642967,6.039963193,7.016512214,9.46557474,8.689734313,8.057986413,0,0,0.4404825,0.577645293,0.682057903,0.796097669,0.890390499,1.129203767,0.957908827,0.825137809,0,0,378.2649034,179.7761246,10.38463035,169.0679502,-80.35210411,-11.02397464,209.1969531,260.1282287,21.40860499,0.691105788,0.328458494,0.018973154,0.308894212,-0.146806653,-0.020141262,207.036809,98.3973793,5.683849362,92.53644366,-43.97934643,-6.033783499,0.112442694,0.209264958,1.397954039,4.383013079,547.3328536,0,1,0,457.3961477,21.38682182,7.704849633,612.8133496,24.75506715,8.493944243,739.6497861,27.1965032,9.04361458,2.289583428,2.289583428,730.6503271,674.5832158,76.12574064,1.083113706,9.597940472,8.861433861,4.331593796,4.505298146,8.805768605,0.954536264,4.625893385,5.878171895,5.872697427,14.61982325,8.152248003,7.338334122,3.89766507,11.44906564,9.559039123,5.052379045,0.907778945,6.257822616,7.131957776,0.398446583,2.756012406,0.548427791,0.045985835,2.34E-21,2.30E-62,4.37E-125,1.60E-209,1.126561786E-315,0,0,0,0,0,0,0,0,0.388217877,5.862378013,0.279474763,6.51499127,0.083628722,0.338273457,0.571771725,0.447938334,3.238133948,0.127509377,0.065740124,0.342768136,0.316672133,0.380131886,0.228955913,0.003862623,3.24E-04,1.65E-23,1.62E-64,3.08E-127,1.12E-211,7.934467E-318,0,0,0,0,0,0,0,0,1.253196499,5.863433972,1.042780787,7.222897659,0.664576015,1.274742833,1.097367899,1.78255549,3.923710721,0.606989289,0.217854323,1.155476892,1.207984087,0.38135574,0.740637587,0.040251501,0.0033751,1.72E-22,1.69E-63,3.21E-126,1.17E-210,8.268326E-317,0,0,0,0,0,0,0,0,4.366458394,5.87643807,5.396422508,13.78882412,7.28116684,6.73560336,3.639827493,10.45332147,8.958171024,4.564874621,0.849238127,5.75608252,6.537906464,0.3964358,2.599841656,0.488639289,0.040972551,2.09E-21,2.05E-62,3.89E-125,1.42E-209,1.003746266E-315,0,0,0,0,0,0,0,0,1.846983529,5.864802552,1.679118257,7.989877543,1.37990447,2.063801151,1.50368804,2.969207487,4.573872189,1.092255443,0.328144256,1.830564627,1.968252608,0.382942504,1.093121582,0.087431635,0.007331168,3.74E-22,3.67E-63,6.96E-126,2.55E-210,1.79599087E-316,0,0,0,0,0,0,0,0,5.586472935,5.885462263,7.788119136,18.07681001,11.8056678,9.767756848,4.913894258,15.50176358,12.02665836,7.06858597,1.132467913,8.274073712,9.532233234,0.406901646,3.335907119,0.799830386,0.067066018,3.42E-21,3.36E-62,6.37E-125,2.33E-209,1.642984485E-315,0,0,0,0,0,0,0,0,2.635194408,4.558380955,2.577343522,8.919857655,2.530874039,3.550786258,1.789853878,4.497564687,5.915677985,1.704810815,0.44943108,2.875341617,2.78486575,0.457721468,1.630896799,0.163168605,0.013681736,6.97E-22,6.85E-63,1.30E-125,4.75E-210,3.3517541E-316,0,0,0,0,0,0,0,0,7.268574811,1.114426599,0.414643513,0.826195519,0.126673287,0.557347422,0.518671035,0.499982783,8.797644922,11.57625025,23.73262916,0.739293278,1.576001241,5.933213964,0.589583706,0.089390603,0.897314734,0.089166201,0.371515855,0.145611699,0.02323748,6.612188273,4.081203094,11.00609098,0.845972102,0.540365034,6.463539484,0.798070732,0.218570501,0.86408868,0.10669137,0.440818807,0.266469759,0.138927556,7.480180716,6.745535469,15.35318188,0.79613302,0.846216122,7.235511642,1.101436364,0.406591167,0.827526646,0.125971456,0.552292589,0.506685694,0.480752088,8.743539173,11.35918505,23.34303449,0.741289968,1.539730371,6.699943797,0.890985579,0.276151299,0.85164295,0.113254918,0.473621828,0.331950135,0.221768307,7.867080675,8.065798308,17.58137888,0.777464426,1.027340269,7.372087722,1.155094598,0.439853257,0.822132092,0.128815659,0.573321878,0.557093996,0.562627459,8.967035577,12.26616762,24.97875544,0.733198139,1.693043333,7.238690696,1.105831624,0.406481239,0.827184065,0.126366264,0.55281366,0.511036236,0.480492165,8.751003559,11.39666486,23.4014585,0.740776097,1.544342061 +UMLKV0100,L,"2,4,4-TRIMETHYL-1-PENTENE",CC(=C)CC(C)(C)C,C8H16,Olefin (alkene) with single C=C double bond,Olefins,107-39-1,2.726484621,PubChem,,0.3684,0,3.1663,10.02545569,38.157,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1674.79369,1290.353741,1097.063862,399.533904,45.72288,0,0,3885.475125,4800.404174,6735.600534,7510.205478,6043.52245,3786.30834,1398.768499,0,0,167.819552,166.665724,297.581032,372.231284,554.716248,234.881856,302.33088,0,0,29.42500648,37.33900896,54.15737825,66.28108257,59.44440754,36.74696223,20.00758072,0,0,3973.037281,3337.521256,6612.996548,7830.731523,14184.45858,5053.044075,8321.294341,0,0,47.59027778,53.20833333,76,108.25,112.25,75,45,0,0,48.76541633,52.3287937,39.87604024,24.81449502,13.5439983,12.107088,1.016064,0,0,161.8947969,208.713225,160.3714413,144.4270284,74.61138827,114.7366164,31.08374443,0,0,6.992481333,7.246335826,7.085262667,7.158293923,6.848348741,7.117632,6.718464,0,0,1.226041937,1.623435172,1.289461387,1.274636203,0.733881575,1.11354431,0.444612905,0,0,165.54322,145.1096198,157.4522988,150.5909908,175.1167726,153.1225477,184.917652,0,0,1.982928241,2.313405797,1.80952381,2.081730769,1.385802469,2.272727273,1,0,0,0.045694943,-0.00805536,0.008393324,-0.050392712,0.051517313,-0.064313591,0.040003554,0,0,645.6853813,-53.80711511,242.132018,-995.4316296,766.7513903,-887.8173993,605.330045,0,0,1200.679538,-100.0566282,450.2548269,-1851.047622,1425.806952,-1650.934365,1125.637067,0,0,0.126485333,-0.010540444,0.047432,-0.194998222,0.150201333,-0.173917333,0.11858,0,0,5.367596186,-0.447299682,2.01284857,-8.27504412,6.374020471,-7.380444756,5.032121424,0,0,29.15686767,-2.429738973,10.93382538,-44.95017099,34.62378036,-40.09069305,27.33456344,0,0,6.464988426,-2.938958816,4.194372106,-8.817081404,9.859483507,-9.827727141,4.297417535,0,0,0.001903956,-3.50E-04,2.00E-04,-9.69E-04,6.36E-04,-0.001948897,8.89E-04,0,0,26.90355756,-2.339439787,5.765048048,-19.14291595,9.466066547,-26.90355756,13.45177878,0,0,50.0283141,-4.350288182,10.72035302,-35.59706965,17.60255496,-50.0283141,25.01415705,0,0,0.005270222,-4.58E-04,0.001129333,-0.003749966,0.001854337,-0.005270222,0.002635111,0,0,0.223649841,-0.019447812,0.047924966,-0.159135464,0.078691611,-0.223649841,0.111824921,0,0,1.214869486,-0.105640825,0.260329176,-0.864426365,0.427454079,-1.214869486,0.607434743,0,0,0.269374518,-0.127780818,0.099866003,-0.169559258,0.121722019,-0.297809913,0.095498167,0,0,-0.183950175,0.104960961,-0.508987935,0.334049855,-1.023603878,0.466905689,0,0,-0.086956522,0.214285714,-0.711538462,0.351851852,-1,0.5,0,0,-0.086956522,0.214285714,-0.711538462,0.351851852,-1,0.5,0,0,-0.086956522,0.214285714,-0.711538462,0.351851852,-1,0.5,0,0,-0.086956522,0.214285714,-0.711538462,0.351851852,-1,0.5,0,0,-0.086956522,0.214285714,-0.711538462,0.351851852,-1,0.5,0,0,-0.474361195,0.370732924,-0.629455448,0.451869091,-1.105560822,0.354518194,0,0,1.509126189,0.874871905,1.640375021,0.417348028,2.46294679,0.092523161,0,0,1.5,0.924107143,1.948918269,0.372685185,2.15625,0,0,0,1.5,0.924107143,1.948918269,0.372685185,2.15625,0,0,0,1.5,0.924107143,1.948918269,0.372685185,2.15625,0,0,0,1.5,0.924107143,1.948918269,0.372685185,2.15625,0,0,0,1.5,0.924107143,1.948918269,0.372685185,2.15625,0,0,0,1.869041758,0.348233068,1.897114567,0.160587209,3.23420392,0,0,0,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,49.38217786,24.4515056,38.12820114,49.02280286,6.127850358,24.4515056,-0.479166667,0.047167883,0.005895985,-2.443233646,24.13005029,3.016256286,2.546766371,0,11.89,12.11011416,-0.157663215,0.06393858,5.956422937,8.994597207,7,23,22,22,6,1,1,0,0,1,17.491312,3.610670307,3.211917666,2.333552793,2.333552793,2.256677967,2.079746185,0.52987105,0.387029567,1.939401255,1.662868225,1.249629723,1.249629723,1.154114088,0.983836891,0.083923071,0.083923071,3.631157042,3.240456119,2.405454588,2.405454588,2.32661669,2.147221647,0.620760598,0.507406576,1.887974042,1.594388963,1.134540686,1.134540686,1.041028853,0.866571206,0.270913902,0.270913902,3.724077235,3.370020408,2.704236987,2.704236987,2.618578049,2.435540579,0.970133649,0.96148215,1.743193029,1.396566423,0.76031856,0.76031856,0.673552967,0.490845944,0.943918427,0.943918427,3.64639981,3.26171786,2.457539916,2.457539916,2.377370979,2.19660799,0.685161021,0.591961865,1.855794442,1.551021429,1.058262671,1.058262671,0.966078727,0.789215945,0.399277246,0.399277246,3.771044676,3.435106011,2.838982085,2.838982085,2.750724254,2.568931756,1.207644823,1.207644823,1.700088386,1.336624416,0.631337262,0.631337262,0.547183156,0.364153036,1.110382943,1.142438647,3.629789626,3.318148699,2.534091447,2.529754755,2.529754755,2.230317096,0.651809066,0.569766724,1.921925189,1.484793163,0.972997998,0.972997998,0.893857215,0.633347091,0.518918919,0.518918919,0,0,1,0,1,4,1,0,1,0,0,0,0,0,0,0,0,0,0,1.968908462,0.353553391,0,0,1.810660172,0.353553391,0,0,0.816496581,2.041241452,1.020620726,0.655330086,1.457106781,0.676776695,6.78445705,3.416502219,4.158631167,1.020620726,1.224744871,0,0,0,0.848057131,0.488071746,0.415863117,0.204124145,0.204124145,0,0,0,6.414213562,3.060660172,3.694543648,0.832106781,0.905330086,0,0,0,0.801776695,0.437237167,0.369454365,0.166421356,0.150888348,0,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,4,1,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.115949074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348819444,0,0,0,0.967152778,0.580555556,0,0.348819444,0,0,0,0,0,0,0,0,8.746319444,3.840486111,1.131944444,0,0,0,0,0,0,1.275462963,0,0,0.422453704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.275462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348819444,0,0,0,0.225625,0.290277778,0,0.348819444,0,0,0,0,0,0,0,0,2.074652778,3.840486111,1.131944444,0,0,0,0,0,0,1.275462963,0,0,0.422453704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.840486111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348819444,0,0,0,0.290277778,0.290277778,0,0.348819444,0,0,0,0,0,0,0,0,2.223888889,3.840486111,1.131944444,0,0,0,0,0,0,1.275462963,0,0,0.422453704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.41666667,1.927083333,0.348819444,3.840486111,0.043402778,0.422453704,5.468942685,0.827546296,0.840486111,3.173611111,0.827546296,0.840486111,3.173611111,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.625,0.125,0.125,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,8.28712,1.03589,9.73928,1.45216,0.18152,2.87519,0.3594,3.41649,0.5413,0.06766,0.49751,0.06219,0.49751,0.06219,0,7,0,0,0,0,0,0,0.75,0.918295834,2.082551817,2.833333333,2.833333333,2.642293229,1.961466146,22.03910002,49.98124361,68,68,63.4150375,47.0751875,0.200284263,0.45421349,0.617962161,0.617962161,0.576295494,0.427804185,3.666666667,2.502410684,1.751629167,1.751629167,1.942669272,2.623496355,0.200284263,0.45421349,0.617962161,0.617962161,0.576295494,0.427804185,6.73287657,16.72064472,17.47730113,17.47730113,15.18481988,10.2987728,31.59900002,19.42915877,19.57694219,19.57694219,18.43070156,15.54072656,8,2.52,7.2,8,2,5,2.34,1.1928,3.298769777,2.5,2.58640929,3.221970075,0,1,1,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.155,0.135,0.064,0.154,3.224,10,5,6,0,0,0,0,0,0,36,2.197224577,2.564949357,1.945910149,2.302585093,0,0,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,2,4,1,4,0.666666667,0.75,0,0,0,0,0,0,0,0.571428571,0.066666667,0.15,0,0,0,0,0,0,0,0.788095238,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,0,144.287877,4,3.555348061,4.17438727,5.056245805,5.686975356,6.577861358,7.211556733,8.105005538,8.739536423,9.633841843,73.74075839,2.708050201,0,4.007333185,0,5.416100402,0,6.882437471,0,8.379079889,8.635687085,112.1252005,4.671883355,14.27908074,1.784885093,0,0,0,66,5,3.995,34,1.226391304,2.122827541,3.001081423,3.466999628,4.267526705,4.641581648,0,0,0,0,74.73814722,97.23810673,77.48127974,51.73940796,51.66732135,4.716144016,0,0,0,0,280.6431588,375.4189098,440.4722741,273.5326822,489.6415744,144.2777377,0,0,0,0,8.920641989,15.11613074,21.49225756,23.78171194,30.37468463,31.18429921,0,0,0,0,2.124868553,2.947816891,3.86345699,2.63867727,4.75208008,2.0637071,0,0,0,0,175.8569114,328.8841386,451.3359847,604.2908036,653.4545614,858.3103801,0,0,0,0,2.884896739,4.074284291,6.268878606,4.892084028,9.501570859,4.641581648,0,0,0,0,0.4404825,0.616488906,0.820669503,0.574353434,1.024206409,0.475297961,0,0,0,0,378.5082459,175.4856545,11.28326625,174.4771183,-80.89184748,-11.66436902,204.0311276,256.377502,22.94763527,0.68448149,0.317342313,0.020404276,0.31551851,-0.146282077,-0.02109345,209.3095202,97.04099855,6.239481095,96.4832928,-44.73200774,-6.45022535,0.115248115,0.215030286,1.708181319,8.094607765,552.9853642,0,1,0,457.3961477,21.38682182,7.704849633,612.8133496,24.75506715,8.493944243,831.5107869,28.83592875,9.403494954,1.568682102,1.568682102,395.9470608,360.8314307,150.0026356,1.097318657,2.639600692,2.405500604,3.945557205,3.480903102,6.533428096,0.876934779,4.625737202,5.969182007,4.833867253,20.01946838,1.938096873,11.40167649,6.391314562,6.214192258,6.435939819,0.716710377,3.023401943,1.788546757,7.03E-10,5.33E-41,7.79E-94,2.20E-168,1.19E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,0.388216777,5.863019005,0.300572887,10.16693754,0.81919738,0.447997192,0.312378409,0.367137864,1.037611936,0.012675959,0.057447806,0.012596881,4.95E-12,3.75E-43,5.49E-96,1.55E-170,8.41E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.253185036,5.870113599,1.039539364,11.94517149,0.946779649,1.781373764,0.887242419,1.235825554,1.634041975,0.072200573,0.314786545,0.131269213,5.16E-11,3.91E-42,5.72E-95,1.61E-169,8.77E-266,0,0,0,0,0,0,0,0,0,0,0,0,0,4.366319238,5.957526442,4.490408725,19.33391911,1.833935773,10.41182446,5.783566037,5.74132895,5.926634641,0.643828447,2.718690692,1.593562961,6.26E-10,4.75E-41,6.94E-94,1.96E-168,1.06E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,1.84695863,5.879311595,1.602155443,13.23501954,1.064293147,2.964666772,1.479610736,1.928598429,2.193561093,0.138058273,0.594792412,0.285134271,1.12E-10,8.49E-42,1.24E-94,3.50E-169,1.90E-265,0,0,0,0,0,0,0,0,0,0,0,0,0,5.586245157,6.018191959,6.180402123,22.65129007,2.364251059,15.4291665,8.90904037,8.095464862,8.52470821,1.020373953,4.291424123,2.608427355,1.03E-09,7.77E-41,1.14E-93,3.20E-168,1.74E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,2.610296131,4.087026154,1.905552413,14.90293494,1.149313142,4.098193008,2.063288755,2.549292647,2.928322062,0.219711424,0.940762809,0.481614227,1.89E-10,1.43E-41,2.10E-94,5.92E-169,3.22E-265,0,0,0,0,0,0,0,0,0,0,0,0,0,3.498140359,1.4237705,0.969412012,0.593778415,0.241672462,0.486935862,0.535861851,0.404148783,5.89132287,9.751908555,20.4714355,0.390667623,1.426946496,2.711650873,0.825400572,0.512235797,0.669661279,0.203838484,0.292814365,0.182216045,0.112840326,4.049287242,4.050002546,9.245775016,0.504491919,0.587870735,3.023774367,1.063298286,0.69381135,0.632471812,0.222406209,0.363940278,0.301069596,0.207017606,4.780884003,6.050831496,13.06243978,0.448707718,0.87202748,3.478645727,1.408979914,0.958093617,0.595075742,0.241027639,0.481526317,0.524950372,0.394766577,5.845719258,9.584144886,20.12580859,0.392613614,1.401243266,3.163008678,1.169231066,0.774747048,0.619349297,0.228947345,0.398175733,0.363289589,0.258133483,5.106986792,7.054677961,15.02690247,0.429023945,1.019598805,3.559179767,1.470068952,1.004846885,0.589844775,0.243627057,0.504070663,0.570717314,0.434234438,6.034095604,10.28586458,21.57755992,0.384767163,1.509022415,3.482104661,1.412405141,0.9578763,0.594988882,0.241338339,0.482501108,0.528309592,0.394587513,5.852386102,9.606477463,20.16983573,0.392483322,1.405398213 +UMLKV0101,L,"2,4,4-TRIMETHYL-2-PENTENE",CC(=CC(C)(C)C)C,C8H16,Olefin (alkene) with single C=C double bond,octenes,107-40-4,2.726484621,PubChem,,0.3648,0,3.1124,9.68703376,39.2295,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1663.702666,1254.032477,1099.01031,435.855168,54.867456,0,0,3885.475125,4800.404174,6651.947662,7165.995629,5847.421622,4130.518189,1678.522199,0,0,167.819552,166.665724,297.181864,350.878388,494.64924,256.234752,362.797056,0,0,29.42500648,37.33900896,53.48844684,62.94044964,56.1118228,40.08759516,24.00909686,0,0,3973.037281,3337.521256,6644.791652,7371.36388,12488.40461,5512.411718,9985.553209,0,0,44.34027778,52,77.25,103,97.5,72,54,0,0,48.76541633,52.3287937,39.61196824,25.59249953,15.26403208,12.107088,1.016064,0,0,161.8947969,208.713225,158.3797062,146.2448088,81.21418919,114.7366164,31.08374443,0,0,6.992481333,7.246335826,7.075758667,7.160783429,6.870128333,7.117632,6.718464,0,0,1.226041937,1.623435172,1.273534449,1.284498972,0.779330872,1.11354431,0.444612905,0,0,165.54322,145.1096198,158.2093251,150.4359975,173.450064,153.1225477,184.917652,0,0,1.847511574,2.260869565,1.839285714,2.102040816,1.354166667,2,1,0,0,0.039438195,-0.005821201,0.020418294,-0.061448704,0.038695793,-0.046791997,0.035228717,0,0,645.6853813,-53.80711511,282.4873543,-914.7209569,605.330045,-968.528072,726.396054,0,0,1200.679538,-100.0566282,525.297298,-1700.962679,1125.637067,-1801.019308,1350.764481,0,0,0.126485333,-0.010540444,0.055337333,-0.179187556,0.11858,-0.189728,0.142296,0,0,5.367596186,-0.447299682,2.348323331,-7.604094597,5.032121424,-8.051394279,6.038545709,0,0,29.15686767,-2.429738973,12.75612961,-41.30556253,27.33456344,-43.73530151,32.80147613,0,0,4.513599537,-2.582766686,5.137948495,-8.272268036,6.360243056,-7.384982639,4.485026042,0,0,0.001643258,-2.53E-04,4.86E-04,-0.001254055,5.37E-04,-0.001299778,6.52E-04,0,0,26.90355756,-2.339439787,6.725889389,-18.66777463,8.407361736,-26.90355756,13.45177878,0,0,50.0283141,-4.350288182,12.50707852,-34.71352407,15.63384816,-50.0283141,25.01415705,0,0,0.005270222,-4.58E-04,0.001317556,-0.003656889,0.001646944,-0.005270222,0.002635111,0,0,0.223649841,-0.019447812,0.05591246,-0.155185604,0.069890575,-0.223649841,0.111824921,0,0,1.214869486,-0.105640825,0.303717372,-0.842970664,0.379646714,-1.214869486,0.607434743,0,0,0.188066647,-0.112294204,0.122332107,-0.168821797,0.088336709,-0.205138407,0.083056038,0,0,-0.154020659,0.295845097,-0.763151672,0.327058518,-0.790975967,0.397006195,0,0,-0.086956522,0.25,-0.693877551,0.3125,-1,0.5,0,0,-0.086956522,0.25,-0.693877551,0.3125,-1,0.5,0,0,-0.086956522,0.25,-0.693877551,0.3125,-1,0.5,0,0,-0.086956522,0.25,-0.693877551,0.3125,-1,0.5,0,0,-0.086956522,0.25,-0.693877551,0.3125,-1,0.5,0,0,-0.597097919,0.6504721,-0.897670049,0.469709597,-1.09077505,0.441630874,0,0,1.49548127,0.81484193,2.233681592,0.507327567,1.699828658,0.003865837,0,0,1.5,0.872767857,1.93622449,0.44921875,2.15625,0,0,0,1.5,0.872767857,1.93622449,0.44921875,2.15625,0,0,0,1.5,0.872767857,1.93622449,0.44921875,2.15625,0,0,0,1.5,0.872767857,1.93622449,0.44921875,2.15625,0,0,0,1.5,0.872767857,1.93622449,0.44921875,2.15625,0,0,0,2.0585935,0.237176376,2.3636994,0.154817617,2.547855632,0,0,0,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,38.51339261,19.15461297,27.88185843,38.36026761,4.795033452,19.15461299,-0.204166667,0.100468985,0.012558623,-1.838324964,23.30135062,2.912668828,2.51880906,0,11.89,12.11011416,-0.149585895,0.073619716,6.0926875,9.078895313,7,23,22,22,6,1,1,0,0,1,17.491312,3.636381628,3.154776519,2.333552793,2.333552793,2.333552793,2.041566206,0.586636054,0.293902613,1.935388355,1.657005365,1.249629723,1.249629723,1.249629723,0.86910009,0.083923071,0.083923071,3.654187565,3.187392962,2.405454588,2.405454588,2.405454588,2.104520267,0.666603054,0.432521154,1.886862917,1.582665948,1.134540686,1.134540686,1.134540686,0.76295443,0.270913902,0.270913902,3.736376012,3.334211987,2.704236987,2.704236987,2.704236987,2.370836971,0.973746946,0.955639676,1.753573626,1.364004428,0.76031856,0.76031856,0.76031856,0.421478257,0.943918427,0.943918427,3.667509136,3.21163431,2.457539916,2.457539916,2.457539916,2.150438439,0.723235299,0.529946743,1.856795931,1.535235373,1.058262671,1.058262671,1.058262671,0.692900887,0.399277246,0.399277246,3.778804038,3.407069517,2.838982085,2.838982085,2.838982085,2.492774593,1.207644823,1.207644823,1.714933345,1.296585846,0.631337262,0.631337262,0.631337262,0.305274178,1.097028706,1.164050983,3.640767746,3.227818486,2.557155175,2.557155175,2.557155175,2.238146707,0.67242173,0.576478853,1.874452504,1.490716036,0.948216627,0.948216627,0.948216627,0.599403529,0.536312849,0.536312849,0,0,0,1,1,5,0,0,1,0,0,0,0,0,0,0,0,0,0,1.968908462,0.353553391,0,0,1.654700538,0.288675135,0,0,0.816496581,2.041241452,1.020620726,0.577350269,1.443375673,0.721687836,6.78445705,3.416502219,4.158631167,1.020620726,1.224744871,0,0,0,0.848057131,0.488071746,0.415863117,0.204124145,0.204124145,0,0,0,6.577350269,3.077350269,3.58771324,0.721687836,0.866025404,0,0,0,0.822168784,0.439621467,0.358771324,0.144337567,0.144337567,0,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,2,0,1,0,0,0,0,0,0,0,0,5,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.671296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.248611111,0,0,0.730208333,0.580555556,0,0.248611111,0,0,0,0,0,0,0,0,10.88541667,0,0,0,2.270833333,0,0,0,0,1.400462963,0,0,0.359953704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.400462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.248611111,0,0,0.243402778,0.290277778,0,0.248611111,0,0,0,0,0,0,0,0,2.130208333,0,0,0,2.270833333,0,0,0,0,1.400462963,0,0,0.359953704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.270833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.248611111,0,0,0.243402778,0.290277778,0,0.248611111,0,0,0,0,0,0,0,0,2.208333333,0,0,0,2.270833333,0,0,0,0,1.400462963,0,0,0.359953704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.91666667,1.864583333,0.290277778,2.270833333,0.050347222,0.359953704,5.229056713,0.890046296,0.270833333,2.3125,0.890046296,0.270833333,2.3125,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.625,0.125,0.125,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,8.51038,1.0638,9.73928,1.22889,0.15361,2.86803,0.3585,3.41649,0.54846,0.06856,0.49751,0.06219,0.49751,0.06219,0,7,0,0,0,0,0,0,0.75,0.918295834,1.861702233,2.468546354,2.468546354,2.27750625,1.704385937,22.03910002,44.68085358,59.2451125,59.2451125,54.66015,40.90526249,0.200284263,0.406045247,0.538400555,0.538400555,0.496733888,0.371733888,3.666666667,2.723260268,2.116416147,2.116416147,2.307456251,2.880576563,0.200284263,0.406045247,0.538400555,0.538400555,0.496733888,0.371733888,6.73287657,15.5820524,16.1936451,16.1936451,13.90116385,9.123666347,31.59900002,20.32164859,21.74047604,21.74047604,20.59423542,18.11071406,8,2.52,7.2,8,2,5,2.34,1.1928,3.298769777,2.5,2.58640929,3.221970075,0,1,1,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.123,0.124,0.163,3.271,10,5,6,0,0,0,0,0,0,36,2.197224577,2.63905733,2.397895273,2.564949357,0,0,0,0,0,0,3.951243719,1.416666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,6,0.857142857,0,2,4,1,4,0.666666667,0.75,0,0,0,0,0,0,0,0.571428571,0.066666667,0.15,0,0,0,0,0,0,0,0.788095238,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,0,144.287877,4,3.555348061,4.17438727,5.056245805,5.686975356,6.577861358,7.211556733,8.105005538,8.739536423,9.633841843,73.74075839,2.708050201,0,4.007333185,0,5.416100402,0,6.882437471,0,8.379079889,8.635687085,112.1252005,4.671883355,14.27908074,1.784885093,0,0,0,66,5,3.752,34,1.532300933,2.344076986,3.020286522,3.384611038,3.915013439,4.293611669,0,0,0,0,102.9834793,99.9696481,73.75971534,51.96663953,47.39941222,4.362584246,0,0,0,0,373.0829184,395.4950926,433.4372273,272.7556268,449.195395,133.4615278,0,0,0,0,11.17652402,16.65685317,21.61629988,23.23584222,27.86562493,28.84647543,0,0,0,0,2.776627251,3.145146898,3.834716789,2.615663442,4.359540938,1.908995156,0,0,0,0,217.8094087,365.5356203,455.0644467,588.4519499,599.4768321,793.9645885,0,0,0,0,3.578919162,4.498605363,6.327739523,4.576464298,7.830026877,4.293611669,0,0,0,0,0.573789296,0.659317431,0.815629664,0.568699867,0.939603225,0.439665835,0,0,0,0,325.7029167,142.108422,9.149929372,66.04216806,-28.81505754,-3.737494328,259.6607486,170.9234795,12.8874237,0.831415452,0.362757384,0.023356845,0.168584548,-0.073555633,-0.009540629,127.5925167,55.6702758,3.584439857,25.87169472,-11.28815716,-1.464145032,0.13218865,0.183091419,3.374623391,3.477818844,391.7450847,0,1,0,293.7069277,17.13787991,6.647189554,430.8960424,20.75803561,7.553081457,783.0023193,27.9821786,9.216959577,1.436329142,1.339092282,372.5499566,334.6881133,173.8494583,1.113125748,2.142945743,1.925160519,3.95307123,3.620290625,6.584450546,0.818762974,6.537317979,3.55300515,9.120984503,17.27991348,12.2215953,19.98604679,11.01813116,9.224840437,3.77380853,2.300625228,2.875917583,0.49007978,3.17E-08,3.95E-37,9.48E-88,4.40E-160,3.93E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,0.523023276,3.251731032,0.831175599,5.644347815,1.355212017,1.770885653,0.932798691,0.449956553,0.230273912,0.175656676,0.032170481,0.003451672,2.23E-10,2.78E-39,6.68E-90,3.10E-162,2.77E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,1.705257041,3.271863284,2.103538079,7.959858023,3.214657785,4.110237007,2.100030143,1.666152653,0.467297605,0.578517589,0.241688425,0.035969083,2.32E-09,2.90E-38,6.96E-89,3.23E-161,2.88E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,6.153061905,3.519928074,8.464989656,16.54652327,11.42949709,18.38317111,10.08536657,8.484251917,3.384843553,2.159608151,2.570595083,0.43665226,2.82E-08,3.52E-37,8.45E-88,3.92E-160,3.50E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,2.530307223,3.297965337,3.101611728,9.567066838,4.597589146,6.125508195,3.165973029,2.671746153,0.774395696,0.864240996,0.495659095,0.078129655,5.05E-09,6.29E-38,1.51E-88,7.01E-161,6.27E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,7.978286167,3.692089676,11.71844726,20.01924988,15.29842526,26.47458489,14.8297923,12.19784774,5.409300551,2.835155947,4.155391571,0.7147353,4.62E-08,5.75E-37,1.38E-87,6.41E-160,5.73E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,3.524337366,3.153541864,4.235633431,11.17178739,6.099614212,8.516922341,4.754013836,4.00720809,1.262897673,1.258292808,0.871782647,0.140962368,9.11E-09,1.13E-37,2.73E-88,1.26E-160,1.13E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,3.045529519,1.633774072,1.060313857,0.530615419,0.2846486,0.413264689,0.387317547,0.409872498,5.739617448,9.937237603,20.95266631,0.295923129,1.210454734,2.385179379,0.944546458,0.60681318,0.60590772,0.239943375,0.25183466,0.127775353,0.132855807,3.936539017,4.273434257,9.577070414,0.40886158,0.51246582,2.644720149,1.219171685,0.788771411,0.568431457,0.26203738,0.309607643,0.213927602,0.225776581,4.652663244,6.272095331,13.46804781,0.352647186,0.749311826,3.028917006,1.616798916,1.049262385,0.531857514,0.283899047,0.408602184,0.37917875,0.401330561,5.694978306,9.771724699,20.60509801,0.297786271,1.189111495,2.761601534,1.341203561,0.869064193,0.555445321,0.269758411,0.33797034,0.259498539,0.274582661,4.971869287,7.269470808,15.46024072,0.333167982,0.872051541,3.097618935,1.686890607,1.09486114,0.52686233,0.286916865,0.428096636,0.413364158,0.437143098,5.879370683,10.46371786,22.06411495,0.290293495,1.278603891,3.03353427,1.618439591,1.047305578,0.532266281,0.283972669,0.40983831,0.379869955,0.39968672,5.699279439,9.781630137,20.62275263,0.298399421,1.189394985 +UMLKV0102,L,1-NONENE,CCCCCCCC=C,C9H18,Olefin (alkene) with single C=C double bond,Olefins,124-11-8,2.880869394,PubChem,,0.7009,0,-0.4256,0.18113536,35.0557,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1372.040552,1395.329215,1235.06511,1040.340509,843.58378,646.827051,450.070322,253.313593,4371.159516,5453.394309,6832.290864,6686.239002,5741.608146,4734.809801,3728.011456,2721.213111,1714.414766,188.796996,188.441504,340.614844,446.090712,396.64274,333.75784,270.87294,207.98804,145.10314,33.10313229,42.35499758,58.48830266,61.25102783,53.11872478,44.09719592,35.07566706,26.0541382,17.03260934,4469.666941,3770.560708,7483.535992,10595.72703,9486.607182,8007.652027,6528.696872,5049.741717,3570.786562,48.5,55.25,80.5,94.25,84,71.75,59.5,47.5,35,48.76541633,52.77079046,29.06935865,19.29789234,18.25158788,17.57466208,16.585309,15.00234407,12.06255205,161.8947969,209.7459349,142.339393,104.4724844,100.7299675,98.64187085,95.59003733,90.70710369,81.63879838,6.992481333,7.247750154,7.096142583,6.970167375,6.958644561,6.953288333,6.94546,6.932934667,6.909673333,1.226041937,1.629038368,1.218506305,0.95704731,0.931907452,0.918691582,0.899376078,0.868471273,0.811076635,165.54322,145.0215657,155.9069998,165.5582349,166.431705,166.8260839,167.4024839,168.3247239,170.0374553,1.796296296,2.125,1.677083333,1.47265625,1.473684211,1.494791667,1.525641026,1.583333333,1.666666667,0.057726066,-0.007612282,-0.027051327,0.001674876,0.001197881,2.00E-05,9.90E-05,0.001767956,-0.001763488,726.396054,-53.80711511,-322.8426907,-26.90355756,-3.30E-13,-2.74E-13,-2.74E-13,-2.45E-13,-1.88E-13,1350.764481,-100.0566282,-600.3397692,-50.0283141,-2.20E-13,-1.07E-13,-1.07E-13,-4.97E-14,7.11E-15,0.142296,-0.010540444,-0.063242667,-0.005270222,-4.45E-16,-4.45E-16,-4.45E-16,-4.52E-16,-4.59E-16,6.038545709,-0.447299682,-2.683798093,-0.223649841,-3.55E-15,-3.55E-15,-3.55E-15,-3.77E-15,-3.77E-15,32.80147613,-2.429738973,-14.57843384,-1.214869486,4.53E-14,4.35E-14,4.35E-14,4.71E-14,4.62E-14,5.685185185,-0.48388203,-1.4218107,-0.077846365,-0.020576132,-0.097736626,-0.174897119,-0.002057613,0.300411523,0.002138002,-2.93E-04,-5.64E-04,2.62E-05,2.10E-05,4.18E-07,2.54E-06,5.89E-05,-8.40E-05,26.90355756,-2.069504427,-6.725889389,-0.420368087,-5.80E-15,-5.70E-15,-7.01E-15,-8.17E-15,-8.97E-15,50.0283141,-3.848331854,-12.50707852,-0.781692408,-3.86E-15,-2.22E-15,-2.73E-15,-1.66E-15,3.38E-16,0.005270222,-4.05E-04,-0.001317556,-8.23E-05,-7.81E-18,-9.27E-18,-1.14E-17,-1.51E-17,-2.18E-17,0.223649841,-0.017203834,-0.05591246,-0.003494529,-6.23E-17,-7.40E-17,-9.11E-17,-1.26E-16,-1.80E-16,1.214869486,-0.093451499,-0.303717372,-0.018982336,7.95E-16,9.07E-16,1.12E-15,1.57E-15,2.20E-15,0.210562414,-0.018610847,-0.029621056,-0.001216349,-3.61E-04,-0.00203618,-0.004484542,-6.86E-05,0.014305311,-0.13694094,-0.263596203,0.012240371,0.009829484,1.95E-04,0.001187057,0.027563988,-0.039277602,-0.076923077,-0.25,-0.015625,-2.15E-16,-2.12E-16,-2.61E-16,-3.04E-16,-3.33E-16,-0.076923077,-0.25,-0.015625,-7.72E-17,-4.44E-17,-5.46E-17,-3.31E-17,6.76E-18,-0.076923077,-0.25,-0.015625,-1.48E-15,-1.76E-15,-2.16E-15,-2.86E-15,-4.15E-15,-0.076923077,-0.25,-0.015625,-2.79E-16,-3.31E-16,-4.07E-16,-5.63E-16,-8.04E-16,-0.076923077,-0.25,-0.015625,6.54E-16,7.46E-16,9.19E-16,1.29E-15,1.81E-15,-0.088386369,-0.140675896,-0.005776669,-0.001714384,-0.009670195,-0.02129792,-3.26E-04,0.067938576,1.465288178,1.262212595,0.802947877,0.825917212,0.871772174,0.92607624,0.994231318,1.258723447,1.5,1.399305556,0.947916667,0.912280702,0.902777778,0.888888889,0.866666667,0.825396825,1.5,1.399305556,0.947916667,0.912280702,0.902777778,0.888888889,0.866666667,0.825396825,1.5,1.399305556,0.947916667,0.912280702,0.902777778,0.888888889,0.866666667,0.825396825,1.5,1.399305556,0.947916667,0.912280702,0.902777778,0.888888889,0.866666667,0.825396825,1.5,1.399305556,0.947916667,0.912280702,0.902777778,0.888888889,0.866666667,0.825396825,1.451140065,0.893220684,0.723508754,0.772244128,0.869401466,1.011400651,1.200488599,1.46998604,53.38801749,26.69400875,43.0798778,53.38801749,5.932001944,26.69400875,3.55E-15,0.047031647,0.005225739,-2.751241111,63.13970138,7.015522375,3.730814778,53.38801749,26.69400875,43.0798778,53.38801749,5.932001944,26.69400875,3.55E-15,0.047031647,0.005225739,-2.751241111,63.13970138,7.015522375,3.730814778,53.38801749,26.69400875,43.0798778,53.38801749,5.932001944,26.69400875,3.55E-15,0.047031647,0.005225739,-2.751241111,63.13970138,7.015522375,3.730814778,53.38801749,26.69400875,43.0798778,53.38801749,5.932001944,26.69400875,3.55E-15,0.047031647,0.005225739,-2.751241111,63.13970138,7.015522375,3.730814778,53.38801749,26.69400875,43.0798778,53.38801749,5.932001944,26.69400875,3.55E-15,0.047031647,0.005225739,-2.751241111,63.13970138,7.015522375,3.730814778,53.38801749,26.69400875,43.0798778,53.38801749,5.932001944,26.69400875,3.55E-15,0.047031647,0.005225739,-2.751241111,63.13970138,7.015522375,3.730814778,69.85826146,34.68838999,56.88868035,69.58000559,7.731111732,34.68838999,-0.481481481,0.084954253,0.009439361,-2.219078135,47.15445713,5.239384125,3.468085682,0,11.79,12.2100686,-0.306948038,0.113298045,5.114156485,7.369861536,8,26,25,25,7,1,1,0,0,1,19.677726,3.51159031,3.31635993,2.98834124,2.562029962,2.097534406,1.667439732,1.334597827,1.128481888,1.918070247,1.764881619,1.539930246,1.275286749,1.006292201,0.775903511,0.612879995,0.519579118,3.538971699,3.346441096,3.026321316,2.612908677,2.16564068,1.755784923,1.442857031,1.251738157,1.858614895,1.699218321,1.461758002,1.178337247,0.888817846,0.640282409,0.463880073,0.362690307,3.659489251,3.479210345,3.192848192,2.83379323,2.456083844,2.122547387,1.878694685,1.735546857,1.683557566,1.505779444,1.225852736,0.876973302,0.511699368,0.190904848,0.042264004,0.178485122,3.559152313,3.368634168,3.054301709,2.650306971,2.215455044,1.819860123,1.520546126,1.339359411,1.82073547,1.657359055,1.411410083,1.115129655,0.811269991,0.549717034,0.363521315,0.25647763,3.718203213,3.544045139,3.273151783,2.938441022,2.59017427,2.28638441,2.067135746,1.93976831,1.628942535,1.445510999,1.15081057,0.778474012,0.384251709,0.033380753,0.225374274,0.378387249,3.648063016,3.408303993,3.116994093,2.710178462,2.269913005,1.879041347,1.592006834,1.419927752,1.864503637,1.628158597,1.309747573,0.987701388,0.701846909,0.453525013,0.263945892,0.150826894,0,0,1,1,0,1,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.949747468,4.414213562,2.767766953,1.707106781,1.030330086,0.603553391,0.338388348,0.176776695,0.772194163,0.551776695,0.395395279,0.284517797,0.206066017,0.150888348,0.112796116,0.088388348,6.527097737,4.023603362,2.491563832,1.511801681,0.892228525,0.505900841,0.269337567,0.12319982,0.725233082,0.50295042,0.35593769,0.251966947,0.178445705,0.12647521,0.089779189,0.06159991,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.45909,43.303,27.74218932,44.32390806,55.48437864,6.16493096,27.74218932,1.22E-15,1.36E-16,-30.90501477,2000019.329,222224.3699,13.05780066,96,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,7,1,0,2,0,0,0,0,0,0,0,0,1,1,6,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.684377283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.377558067,0.318144487,0,0,1.604297446,0.290277778,0,0.695702554,0,0,0,0,0,0,0,0,2.243552847,3.678478757,8.07206987,0,2.005898526,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.005898526,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.377558067,0.318144487,0,0,0.20699267,0.290277778,0,0.318144487,0,0,0,0,0,0,0,0,2.243552847,3.678478757,1.198129252,0,2.005898526,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.678478757,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.377558067,0.318144487,0,0,0.290277778,0.290277778,0,0.377558067,0,0,0,0,0,0,0,0,2.243552847,3.678478757,1.407083333,0,2.005898526,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,1.777777778,0.377558067,3.678478757,0.20699267,1.198129252,6.591360339,0.301870748,0.678478757,1.855860261,0.301870748,0.678478757,1.855860261,4.5,0.5,0,0,0.43333,0.7,0.42414,0.42414,0.7,0.0092,0.0092,0,0,0.71429,0,0,0.22222,0,0,5,0.55556,4,0.44444,1,0.11111,-3,-0.33333,0,0,8.03117,0.89235,9.36685,1.33569,0.14841,3.84933,0.4277,4.41421,0.56488,0.06276,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,8,0,0,0,0,0,0,0.777777778,0.918295834,1.978299098,3.024181726,3.531941206,3.450469689,2.971962854,24.79398752,53.41407565,81.65290661,95.36241255,93.16268161,80.24299707,0.193126721,0.416055921,0.63601541,0.742802265,0.725667997,0.625033264,3.836591668,2.776588404,1.730705776,1.222946297,1.304417813,1.782924648,0.193126721,0.416055921,0.63601541,0.742802265,0.725667997,0.625033264,6.73287657,14.68947561,18.53423282,19.04596554,16.17316598,15.69091482,35.54887502,25.86629038,20.33226494,19.03080047,23.50953274,24.89912079,9,8,8,9,2,9,2.45,1.3337,0.125,4.141993258,0,0,9.333258269,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,4.158,7,6,5,4,3,2,1,0,0,45,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,0,3.988984047,1.177777778,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0.75,7,0.875,1,4,8,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0,0,0,0.0625,0.031746032,0.020833333,0.016,0.013888889,0.013605442,0.015625,0,0,0,0.174198696,27.74218932,44.32390806,55.48437864,6.16493096,27.74218932,1.22E-15,1.36E-16,-30.90501477,2000019.329,222224.3699,13.05780066,0,161.5838616,4.169925001,3.433987204,4.043051268,4.672828834,5.303304908,5.942799375,6.580639137,7.22329568,7.863651265,8.507344855,70.57090253,2.833213344,0,3.80666249,0,4.919980926,0,6.098074282,0,7.311218384,7.671360923,126.1408506,4.671883355,16.82976754,1.869974171,0,0,0,120,6,5.095,30,1.229615385,2.138260878,2.873426563,3.611805304,4.947929931,5.97191893,7.290492353,8.400216134,9.727008235,10.7870266,75.7402924,69.49443052,67.57389813,85.45666489,103.5932588,117.7864314,124.5725342,114.2897172,57.65276042,10.9603094,283.2633539,325.2100498,331.0786709,429.5150962,538.6076585,634.2869997,711.0303113,733.8638144,662.6482056,335.3011781,8.946671626,15.22024603,20.08318066,25.32209386,34.5311019,41.66142719,50.68271276,58.19631427,67.06978768,72.4722499,2.140668074,2.732434706,2.927112061,3.797020875,4.863264252,5.788329582,6.654376824,7.140371024,7.205868521,4.796051233,176.1587208,330.0074117,471.9925306,586.951339,816.1513909,985.9145372,1216.855449,1416.650596,1661.752699,1994.711632,2.682144231,3.680866457,4.363046166,5.711028449,7.695203426,9.561579623,11.96721576,14.5946489,16.59883102,10.7870266,0.443606538,0.577455887,0.625646718,0.810939922,1.042991209,1.243346573,1.435751034,1.550256236,1.588694515,1.104591524,431.733894,241.2111906,13.1278098,205.7370778,-114.946003,-14.6002575,225.9968162,356.1571937,27.7280673,0.677260476,0.378387725,0.020593581,0.322739524,-0.180315666,-0.022903408,275.217825,153.7651321,8.368597673,131.151415,-73.27474028,-9.307240337,0.101359382,0.183693994,2.08307546,8.676946458,637.4709719,0,1,0,517.3025159,22.74428535,8.027522476,692.3061023,26.31171036,8.846389421,797.4056523,28.23837198,9.273131887,3.18171488,3.18171488,1362.112682,1335.088678,50.37025088,1.020241355,27.04200709,26.50549986,4.738871125,5.904073573,11.44855748,0.93909465,5.265196638,6.760431369,3.719840485,27.86440736,12.36140148,1.027402202,6.415342666,8.538107366,16.96265954,0.646267268,2.064652775,11.40182885,3.241743415,9.71820657,1.24366367,2.736081002,1.174394241,2.075962892,1.134384638,1.726294071,0.07714253,1.534974699,1.24E-13,1.94E-48,5.85E-105,3.40E-183,3.81E-283,0,0,0,0.441882176,6.760117552,0.250615271,6.960599737,0.090431804,0.084835351,0.781259731,0.239152187,4.964464643,0.023086828,0.063608149,0.748342981,0.132694911,2.699672876,0.056420372,0.110906041,0.070607723,0.088503029,0.552604469,0.139441425,0.006424722,0.010810952,8.76E-16,1.37E-50,4.12E-107,2.40E-185,2.69E-285,0,0,0,1.426423487,6.760139158,0.849583685,8.483709724,0.91591368,0.267549946,1.922294073,1.086579601,6.592313117,0.095052657,0.249116007,2.523533001,0.520185021,3.928982012,0.213728582,0.372727318,0.245364725,0.342180652,0.671300165,0.453714847,0.020772282,0.112658458,9.13E-15,1.43E-49,4.30E-106,2.50E-184,2.80E-284,0,0,0,4.969916782,6.76039714,3.468834712,25.6140247,11.01610623,0.966273271,6.067243502,7.730564175,15.93761153,0.588575027,1.863278636,10.60833079,2.963982234,9.216607946,1.140899465,2.47842591,1.088938533,1.900517581,1.09874794,1.625738826,0.072782298,1.367634822,1.11E-13,1.73E-48,5.22E-105,3.03E-183,3.40E-283,0,0,0,2.102280232,6.760166595,1.293172866,10.34396883,1.981195481,0.395852987,2.708251288,1.919675003,7.95362289,0.160856421,0.442659216,3.860739454,0.859563728,4.833235068,0.34696393,0.633825458,0.38033908,0.56145591,0.752798272,0.672315133,0.030647399,0.244709226,1.98E-14,3.10E-49,9.33E-106,5.42E-184,6.08E-284,0,0,0,6.358485034,6.760575155,4.693054594,37.29868042,18.01695212,1.257624705,7.707813115,11.86812143,21.08782267,0.88206367,2.899803373,14.50022974,4.369435361,11.6570705,1.65830914,3.800134196,1.511102714,2.786614749,1.266354602,2.102475846,0.09332163,2.23861634,1.81E-13,2.83E-48,8.54E-105,4.96E-183,5.56E-283,0,0,0,3.030587939,5.358143719,1.966744819,12.75051073,3.926920086,0.480523455,4.208440479,3.069892164,9.644354813,0.242624797,0.736686683,5.588766889,1.251783305,7.039794441,0.491579748,1.099129276,0.517025212,0.847766707,1.349720241,1.593895511,0.048613795,0.485675588,3.93E-14,6.15E-49,1.85E-105,1.08E-183,1.21E-283,0,0,0,11.27670814,0.809827751,0.428981117,0.901018163,0.064705897,0.523912532,0.612249598,0.518508633,12.51551701,14.31708686,30.75014145,0.851527244,1.654670763,10.55433109,0.307053624,0.092481564,0.963525647,0.028031529,0.458936772,0.088021066,0.024098498,10.95386628,4.245223452,15.49879895,0.94528847,0.571056336,10.84123567,0.506739326,0.226128264,0.9366804,0.043782167,0.484228186,0.239729568,0.144075235,11.57410326,8.059778338,20.87615802,0.9050206,0.86803299,11.25882411,0.797380494,0.420650336,0.902376774,0.063908773,0.522251996,0.593573904,0.498565384,12.47685494,14.04901325,30.30228465,0.853565161,1.614391284,10.96912091,0.595747403,0.285700099,0.925619812,0.050271631,0.4957202,0.33134014,0.229985482,11.85056841,9.838909314,23.55647796,0.888429719,1.057045822,11.33269829,0.848796785,0.455062567,0.89681847,0.067169937,0.52912827,0.672588498,0.583474481,12.63655764,15.16250029,32.1763766,0.845227705,1.785191249,11.35287721,0.797002432,0.420865258,0.903118892,0.063401369,0.531012942,0.593017602,0.499074975,12.5707449,14.16173298,30.54058069,0.854678339,1.623105519 +UMLKV0103,L,1-DECENE,CCCCCCCCC=C,C10H20,Olefin (alkene) with single C=C double bond,Olefins,872-05-9,2.987150421,PubChem,,0.8852,0,-0.7136,0.50922496,37.9673,30.93586,0,0,30,10,20,0,10,0,0,0,0,0,0,0,0,0,1462.96249,1540.518849,1589.037752,1431.821839,1237.097238,1040.340509,843.58378,646.827051,450.070322,4856.843906,6106.384443,7745.837976,7693.037347,6748.406491,5741.608146,4734.809801,3728.011456,2721.213111,209.77444,210.217284,383.344352,508.975612,459.52764,396.64274,333.75784,270.87294,207.98804,36.7812581,47.3709862,66.1759928,70.27255668,62.14025364,53.11872478,44.09719592,35.07566706,26.0541382,4966.296601,4203.600159,8407.738191,12074.68219,10965.56234,9486.607182,8007.652027,6528.696872,5049.741717,52.75,60.5,89.75,106.5,96.25,84,71.75,59.5,47.5,48.76541633,53.12133962,29.42662504,19.61399779,18.74389755,18.25158788,17.57466208,16.585309,15.00234407,161.8947969,210.5649808,143.441444,105.3840732,102.2485832,100.7299675,98.64187085,95.59003733,90.70710369,6.992481333,7.248871862,7.098969481,6.972268658,6.96254,6.958644561,6.953288333,6.94546,6.932934667,1.226041937,1.633482283,1.225481348,0.962637763,0.941518994,0.931907452,0.918691582,0.899376078,0.868471273,165.54322,144.9517296,155.6988554,165.4066053,166.1448839,166.431705,166.8260839,167.4024839,168.3247239,1.758333333,2.086206897,1.662037037,1.45890411,1.458333333,1.473684211,1.494791667,1.525641026,1.583333333,0.061948619,-0.007612276,-0.029162481,0.001676669,0.001213163,7.34E-05,-6.77E-05,9.61E-05,0.00176792,807.1067267,-53.80711511,-363.198027,-26.90355756,4.01E-13,3.45E-13,2.88E-13,2.31E-13,1.74E-13,1500.849423,-100.0566282,-675.3822403,-50.0283141,-9.24E-14,-9.24E-14,-2.06E-13,-2.06E-13,-1.49E-13,0.158106667,-0.010540444,-0.071148,-0.005270222,-6.83E-16,-7.10E-16,-7.38E-16,-7.38E-16,-7.24E-16,6.709495232,-0.447299682,-3.019272855,-0.223649841,-3.55E-15,-3.55E-15,-3.55E-15,-3.55E-15,-3.77E-15,36.44608459,-2.429738973,-16.40073807,-1.214869486,5.84E-14,6.91E-14,6.91E-14,6.73E-14,6.55E-14,5.875,-0.4375,-1.5,-0.0625,0,-0.0625,-0.125,-0.1875,0,0.002064954,-2.62E-04,-5.40E-04,2.30E-05,1.84E-05,1.29E-06,-1.41E-06,2.46E-06,5.89E-05,26.90355756,-1.855417762,-6.725889389,-0.368541884,6.08E-15,6.05E-15,6.00E-15,5.92E-15,5.80E-15,50.0283141,-3.450228558,-12.50707852,-0.685319371,-1.40E-15,-1.62E-15,-4.29E-15,-5.28E-15,-4.97E-15,0.005270222,-3.63E-04,-0.001317556,-7.22E-05,-1.03E-17,-1.25E-17,-1.54E-17,-1.89E-17,-2.41E-17,0.223649841,-0.015424127,-0.05591246,-0.003063696,-5.38E-17,-6.23E-17,-7.40E-17,-9.11E-17,-1.26E-16,1.214869486,-0.083784103,-0.303717372,-0.016642048,8.85E-16,1.21E-15,1.44E-15,1.73E-15,2.18E-15,0.195833333,-0.015086207,-0.027777778,-8.56E-04,0,-0.001096491,-0.002604167,-0.004807692,0,-0.127117744,-0.26152929,0.011122798,0.008901531,6.24E-04,-6.83E-04,0.001193602,0.028538483,-0.068965517,-0.25,-0.01369863,2.26E-16,2.25E-16,2.23E-16,2.20E-16,2.16E-16,-0.068965517,-0.25,-0.01369863,-2.80E-17,-3.24E-17,-8.58E-17,-1.06E-16,-9.94E-17,-0.068965517,-0.25,-0.01369863,-1.96E-15,-2.36E-15,-2.92E-15,-3.59E-15,-4.58E-15,-0.068965517,-0.25,-0.01369863,-2.41E-16,-2.79E-16,-3.31E-16,-4.07E-16,-5.63E-16,-0.068965517,-0.25,-0.01369863,7.28E-16,9.97E-16,1.18E-15,1.42E-15,1.80E-15,-0.07703595,-0.141843972,-0.004371903,0,-0.005599104,-0.013297872,-0.024549918,0,1.467654129,1.275940415,0.812883118,0.831107247,0.866607824,0.906919775,0.962558714,1.033362421,1.5,1.409722222,0.953424658,0.922727273,0.915789474,0.90625,0.892307692,0.87,1.5,1.409722222,0.953424658,0.922727273,0.915789474,0.90625,0.892307692,0.87,1.5,1.409722222,0.953424658,0.922727273,0.915789474,0.90625,0.892307692,0.87,1.5,1.409722222,0.953424658,0.922727273,0.915789474,0.90625,0.892307692,0.87,1.5,1.409722222,0.953424658,0.922727273,0.915789474,0.90625,0.892307692,0.87,1.446808511,0.902679275,0.718449432,0.757253385,0.83351997,0.938386525,1.091653028,1.295744681,66.53592808,33.26796404,53.52036394,66.53592808,6.653592808,33.26796404,-1.42E-14,0.040892628,0.004089263,-3.196805467,49.216614,4.9216614,3.896231249,66.53592808,33.26796404,53.52036394,66.53592808,6.653592808,33.26796404,-1.42E-14,0.040892628,0.004089263,-3.196805467,49.216614,4.9216614,3.896231249,66.53592808,33.26796404,53.52036394,66.53592808,6.653592808,33.26796404,-1.42E-14,0.040892628,0.004089263,-3.196805467,49.216614,4.9216614,3.896231249,66.53592808,33.26796404,53.52036394,66.53592808,6.653592808,33.26796404,-1.42E-14,0.040892628,0.004089263,-3.196805467,49.216614,4.9216614,3.896231249,66.53592808,33.26796404,53.52036394,66.53592808,6.653592808,33.26796404,-1.42E-14,0.040892628,0.004089263,-3.196805467,49.216614,4.9216614,3.896231249,66.53592808,33.26796404,53.52036394,66.53592808,6.653592808,33.26796404,-1.42E-14,0.040892628,0.004089263,-3.196805467,49.216614,4.9216614,3.896231249,85.47367855,42.47208944,69.30234087,85.17367855,8.517367855,42.47208944,-0.5,0.075599271,0.007559927,-2.582308636,48.9045195,4.89045195,3.889869816,0,11.79,12.21007879,-0.306948039,0.113311142,5.119156399,7.448485494,9,29,28,28,8,1,1,0,0,1,21.86414,3.52108408,3.357442808,3.081433849,2.715335633,2.30029729,1.888862952,1.533683524,1.270833524,1.926650081,1.796235141,1.601124015,1.366541273,1.11889197,0.889876864,0.7078572,0.583297216,3.548497649,3.386864148,3.116946261,2.761083058,2.360057948,1.965817151,1.629333267,1.383461819,1.867480706,1.731928797,1.526761479,1.276545205,1.010389032,0.763563779,0.566793707,0.431818797,3.668973442,3.516690464,3.272942385,2.960671443,2.617551385,2.290629368,2.022275763,1.833651535,1.693000219,1.542671317,1.303946671,0.999928585,0.667410494,0.352142065,0.094798109,0.085189605,3.568691731,3.408567599,3.143118662,2.794752475,2.40390105,2.021931462,1.698464613,1.464075869,1.829762437,1.69095372,1.479012186,1.218134783,0.939180116,0.679729714,0.472270138,0.329627854,3.727568483,3.58009365,3.348444081,3.055968484,2.738081354,2.438558447,2.195749173,2.026932228,1.638464244,1.483739079,1.233500967,0.910503613,0.553427686,0.210848224,0.072649224,0.273414305,3.66655985,3.443279297,3.203611627,2.857541608,2.46255365,2.082258195,1.768782245,1.546938347,1.868002172,1.670365381,1.391952823,1.092316188,0.816499394,0.57314683,0.36815834,0.219360273,0,0,1,1,0,1,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.656854249,4.914213562,3.121320344,1.957106781,1.207106781,0.728553391,0.426776695,0.239276695,0.765685425,0.546023729,0.390165043,0.279586683,0.201184464,0.145710678,0.106694174,0.079758898,7.234204519,4.523603362,2.845117222,1.761801681,1.06900522,0.630900841,0.357725915,0.19045042,0.723420452,0.502622596,0.355639653,0.251685954,0.178167537,0.126180168,0.089431479,0.063483473,15.41827804,28.87836854,27.25490196,27.6,17.98554491,230.2825509,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.84919,47.92,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,122,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,8,1,0,2,0,0,0,0,0,0,0,0,1,1,7,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.708362623,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375058067,0.315058067,0,0,1.809883866,0.290277778,0,0.690116134,0,0,0,0,0,0,0,0,2.253711026,3.694651597,9.537926351,0,2.013711026,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.013711026,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375058067,0.315058067,0,0,0.20558642,0.290277778,0,0.315058067,0,0,0,0,0,0,0,0,2.253711026,3.694651597,1.200520833,0,2.013711026,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.694651597,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375058067,0.315058067,0,0,0.290277778,0.290277778,0,0.375058067,0,0,0,0,0,0,0,0,2.253711026,3.694651597,1.424248866,0,2.013711026,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.5,1.75,0.375058067,3.694651597,0.20558642,1.200520833,7.30962196,0.299479167,0.694651597,1.924147298,0.299479167,0.694651597,1.924147298,5,0.5,0,0,0.43333,0.7,0.425,0.425,0.7,0.00833,0.00833,0,0,0.71429,0,0,0.2,0,0,5.5,0.55,4.5,0.45,1,0.1,-3.5,-0.35,0,0,9.44177,0.94418,10.82617,1.3844,0.13844,4.34933,0.43493,4.91421,0.56488,0.05649,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,9,0,0,0,0,0,0,0.8,0.918295834,1.915172902,2.914409345,3.456564762,3.532914564,3.105587262,27.54887502,57.45518706,87.43228036,103.6969429,105.9874369,93.16761785,0.187144143,0.390302752,0.59394219,0.704430778,0.71999049,0.632903302,3.988594762,2.991717694,1.99248125,1.450325833,1.373976032,1.801303334,0.187144143,0.390302752,0.59394219,0.704430778,0.71999049,0.632903302,6.73287657,14.2264205,17.98510136,18.98771564,17.28585308,15.42614989,39.49875002,29.53379389,23.73755242,21.32372335,24.30433692,28.10135861,10,9,9.142857143,10,2,10,2.56,1.4746,0.111111111,4.250401119,0,0,11.24058363,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,4.657,8,7,6,5,4,3,2,1,0,55,2.397895273,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,4.17438727,1.163636364,0.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0.777777778,8,0.888888889,1,5,9,0.8,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0,0,0.055555556,0.027777778,0.017857143,0.013333333,0.011111111,0.010204082,0.010416667,0.012345679,0,0,0.158601348,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,0,178.8798463,4.321928095,3.555348061,4.17438727,4.812184355,5.451038454,6.098074282,6.744059186,7.394493107,8.04334217,8.695004593,73.96793148,2.944438979,0,3.931825633,0,5.056245805,0,6.244166901,0,7.466799475,7.82284529,140.1565006,4.671883355,18.82909733,1.882909733,0,0,0,165,7,5.664,34,1.231689655,2.140780394,2.87396137,3.613678691,4.950087435,5.974307171,7.293976072,8.405556204,9.706559382,10.88477305,76.41076678,70.39312721,68.78030987,87.8779307,107.7805786,125.0835909,138.2541873,143.1193033,129.1280163,64.63215985,285.0092121,328.0299733,334.3826029,436.8278303,551.0699985,656.3077083,752.1083709,821.2426552,835.3848023,742.4046567,8.963500586,15.24412117,20.09359169,25.35251061,34.5754716,41.73169429,50.80664532,58.44955491,67.20101429,75.05704124,2.151159112,2.750842958,2.946935817,3.843180558,4.94122359,5.926726971,6.911779807,7.689931323,8.161001213,8.070623427,176.3477702,329.9628458,471.6104478,585.9950417,814.3757066,982.3908264,1210.157291,1401.716284,1640.487429,1859.208042,2.637982759,3.649750561,4.320208748,5.646009088,7.580132314,9.354593776,11.50302199,13.82189369,16.70497151,18.59205706,0.445679224,0.581140877,0.62954359,0.820102034,1.058434716,1.270777743,1.486737345,1.65917361,1.773177836,1.779244588,482.4376287,295.1361865,14.95191132,191.3650441,-117.0695361,-13.02849217,291.0725845,412.2057226,27.98040349,0.715992453,0.438015755,0.022190341,0.284007547,-0.173744541,-0.019335768,325.0677636,198.8635513,10.07463781,128.9422782,-78.8817663,-8.778632848,0.092568659,0.167762534,1.910605186,4.357897911,673.8026728,0,1,0,579.384085,24.07039852,8.336597885,773.7617436,27.81657318,9.180558123,909.12671,30.15172814,9.687420225,3.224745971,3.224745971,1857.036957,1826.841183,56.87125387,1.016528954,32.65334999,32.12240032,5.089974808,6.901696073,12.66751418,0.83542046,5.822997744,7.708948676,4.016172992,32.83728512,14.33625112,1.027417843,7.209655741,8.676134838,21.32705808,0.67707902,2.065058852,15.95105504,3.359446219,15.76023429,1.353352199,2.53662135,4.108222281,4.654626843,5.033314881,3.088409028,2.558767404,0.386070917,2.877315227,0.120880501,3.16E-05,1.60E-30,1.55E-77,2.92E-146,1.06E-236,0,0.488694558,7.708592754,0.272732204,7.973992336,0.104498148,0.084850864,0.903818798,0.240124681,6.043416797,0.023303865,0.064014225,1.060706201,0.133523902,3.849851094,0.057192918,0.097116255,0.161449647,0.121288294,1.336322859,0.127877309,0.143936349,0.031414291,0.088310846,8.51E-04,2.23E-07,1.12E-32,1.09E-79,2.05E-148,7.44E-239,0,1.577539562,7.708617253,0.922793342,9.764914678,1.061260648,0.267565467,2.181957294,1.09671095,8.086920629,0.097314135,0.249522084,3.565088676,0.528823741,5.821877668,0.2217791,0.322956619,0.638025267,0.569010638,1.948380804,0.499328405,0.414105977,0.10203263,0.38600117,0.008871945,2.32E-06,1.17E-31,1.14E-78,2.14E-147,7.75E-238,0,5.496435526,7.708909852,3.746653372,30.15332894,12.77577003,0.966288897,6.820426914,7.853544413,20.01067594,0.616027762,1.863684713,14.85019376,3.068853313,14.86866186,1.23862997,2.291011453,3.750198532,4.208129893,4.756548679,2.824790466,2.332132005,0.363731284,2.61048955,0.10770235,2.82E-05,1.42E-30,1.38E-77,2.60E-146,9.41E-237,0,2.324997522,7.708648368,1.402905204,11.9694754,2.296521398,0.395868519,3.062036713,1.941680771,9.809271919,0.165768587,0.443065292,5.443137691,0.878328183,7.311939237,0.364450731,0.558785416,1.062879708,1.01817584,2.410873441,0.823457866,0.665707708,0.151036834,0.67100137,0.01927105,5.04E-06,2.54E-31,2.48E-78,4.65E-147,1.68E-237,0,7.032110653,7.709111766,5.059895931,44.09395252,20.89657161,1.257640405,8.654416907,12.06942037,26.63331736,0.926999625,2.900209451,20.24196754,4.541093837,19.2457497,1.81827955,3.555306092,5.565992386,6.49965593,6.115325251,4.158002727,3.487369091,0.469497352,3.974347714,0.176292849,4.61E-05,2.33E-30,2.27E-77,4.25E-146,1.54E-236,0,3.40076935,6.226446152,2.168974459,15.18784797,4.697756562,0.495910675,4.747080892,3.213193475,12.01423508,0.26044934,0.760557514,7.835240242,1.330271416,10.14767734,0.543125972,0.953087393,1.779496592,1.718486626,4.285383868,1.459202439,1.460671682,0.248076361,1.235387922,0.039471184,1.03E-05,5.21E-31,5.07E-78,9.52E-147,3.45E-237,0,13.73179825,0.813329515,0.441139405,0.916292102,0.054271655,0.52727823,0.624671825,0.533324247,14.98626717,17.58490582,37.49802821,0.874438153,1.685274302,13.00548891,0.3105245,0.095102699,0.969754404,0.023154262,0.473091501,0.091168081,0.024787077,13.41111611,5.304911754,19.10010229,0.954631606,0.589046658,13.2937743,0.510403437,0.232537247,0.947071613,0.036362029,0.494235815,0.246369727,0.148191971,14.03671498,9.995173579,25.60969752,0.920607419,0.888797513,13.7137988,0.800899559,0.432572511,0.917478443,0.053581658,0.52589863,0.605786719,0.512811149,14.94727087,17.26203494,36.96041209,0.876217664,1.644496497,13.42235243,0.599420243,0.293797481,0.937605159,0.041871908,0.50382047,0.339729569,0.236556976,14.31557015,12.16519125,28.84454717,0.906407738,1.080107015,13.78815556,0.852238561,0.467960062,0.912617972,0.056408431,0.531609944,0.685631974,0.600146397,15.10835419,18.60191761,39.20917589,0.868926958,1.817388315,13.82533389,0.800812008,0.432970157,0.918070745,0.053177889,0.53448697,0.605628373,0.513754393,15.05911606,17.40417808,37.25692036,0.877106117,1.653869736 +UMLKV0104,L,1-UNDECENE,CCCCCCCCCC=C,C11H22,Olefin (alkene) with single C=C double bond,Olefins,821-95-4,3.083228468,PubChem,,1.0796,0,-1.0016,1.00320256,40.8789,34.029446,0,0,33,11,22,0,11,0,0,0,0,0,0,0,0,0,1609.258739,1708.997146,1782.746289,1628.578568,1433.853967,1237.097238,1040.340509,843.58378,646.827051,5342.528297,6759.374578,8659.385087,8699.835692,7755.204836,6748.406491,5741.608146,4734.809801,3728.011456,230.751884,231.993064,426.07386,571.860512,522.41254,459.52764,396.64274,333.75784,270.87294,40.45938391,52.38697482,73.86368295,79.29408554,71.16178249,62.14025364,53.11872478,44.09719592,35.07566706,5462.926262,4636.639611,9331.94039,13553.63734,12444.51749,10965.56234,9486.607182,8007.652027,6528.696872,57,65.75,99,118.75,108.5,96.25,84,71.75,59.5,48.76541633,53.40616081,29.71243815,19.86071424,19.11805289,18.74389755,18.25158788,17.57466208,16.585309,161.8947969,211.2304556,144.3230848,106.0955572,103.4027311,102.2485832,100.7299675,98.64187085,95.59003733,6.992481333,7.24978325,7.101231,6.973908683,6.965500533,6.96254,6.958644561,6.953288333,6.94546,1.226041937,1.637092963,1.231061382,0.967001043,0.948823767,0.941518994,0.931907452,0.918691582,0.899376078,165.54322,144.8949878,155.5323398,165.2882603,165.9268999,166.1448839,166.431705,166.8260839,167.4024839,1.727272727,2.0546875,1.65,1.448170732,1.446666667,1.458333333,1.473684211,1.494791667,1.525641026,0.066171171,-0.007612276,-0.031273752,0.001676792,0.001214955,8.87E-05,-1.43E-05,-7.05E-05,9.61E-05,887.8173993,-53.80711511,-403.5533633,-26.90355756,2.10E-13,2.66E-13,2.66E-13,3.23E-13,3.23E-13,1650.934365,-100.0566282,-750.4247115,-50.0283141,2.13E-14,-9.24E-14,-9.24E-14,-2.06E-13,-2.06E-13,0.173917333,-0.010540444,-0.079053333,-0.005270222,-4.31E-16,-4.31E-16,-4.45E-16,-4.45E-16,-4.45E-16,7.380444756,-0.447299682,-3.354747616,-0.223649841,-2.36E-15,-3.25E-15,-3.69E-15,-4.14E-15,-5.02E-15,40.09069305,-2.429738973,-18.22304229,-1.214869486,6.22E-14,6.57E-14,6.93E-14,7.28E-14,7.64E-14,6.060606061,-0.399678604,-1.579889807,-0.052112029,0.013774105,-0.037878788,-0.08953168,-0.141184573,-0.192837466,0.002005187,-2.38E-04,-5.21E-04,2.04E-05,1.62E-05,1.34E-06,-2.51E-07,-1.47E-06,2.46E-06,26.90355756,-1.681472347,-6.725889389,-0.328092165,2.79E-15,4.04E-15,4.67E-15,6.74E-15,8.29E-15,50.0283141,-3.126769631,-12.50707852,-0.610101391,2.84E-16,-1.40E-15,-1.62E-15,-4.29E-15,-5.28E-15,0.005270222,-3.29E-04,-0.001317556,-6.43E-05,-5.75E-18,-6.53E-18,-7.81E-18,-9.27E-18,-1.14E-17,0.223649841,-0.013978115,-0.05591246,-0.002727437,-3.15E-17,-4.92E-17,-6.48E-17,-8.62E-17,-1.29E-16,1.214869486,-0.075929343,-0.303717372,-0.014815482,8.29E-16,9.96E-16,1.22E-15,1.52E-15,1.96E-15,0.183654729,-0.012489956,-0.026331497,-6.36E-04,1.84E-04,-5.74E-04,-0.001570731,-0.002941345,-0.00494455,-0.118634138,-0.259940443,0.010197891,0.008078748,6.70E-04,-1.25E-04,-7.33E-04,0.001228711,-0.0625,-0.25,-0.012195122,1.04E-16,1.50E-16,1.74E-16,2.50E-16,3.08E-16,-0.0625,-0.25,-0.012195122,5.68E-18,-2.80E-17,-3.24E-17,-8.58E-17,-1.06E-16,-0.0625,-0.25,-0.012195122,-1.09E-15,-1.24E-15,-1.48E-15,-1.76E-15,-2.16E-15,-0.0625,-0.25,-0.012195122,-1.41E-16,-2.20E-16,-2.90E-16,-3.85E-16,-5.76E-16,-0.0625,-0.25,-0.012195122,6.82E-16,8.20E-16,1.00E-15,1.25E-15,1.61E-15,-0.068007813,-0.143375,-0.003460366,0.001,-0.003125,-0.008552632,-0.016015625,-0.026923077,1.4697182,1.288381384,0.822276733,0.837203429,0.865864324,0.895963617,0.93690817,0.994356724,1.5,1.418181818,0.957871397,0.930909091,0.925619835,0.918660287,0.909090909,0.895104895,1.5,1.418181818,0.957871397,0.930909091,0.925619835,0.918660287,0.909090909,0.895104895,1.5,1.418181818,0.957871397,0.930909091,0.925619835,0.918660287,0.909090909,0.895104895,1.5,1.418181818,0.957871397,0.930909091,0.925619835,0.918660287,0.909090909,0.895104895,1.5,1.418181818,0.957871397,0.930909091,0.925619835,0.918660287,0.909090909,0.895104895,1.44375,0.913,0.716341463,0.748,0.81,0.891578947,1.00375,1.167692308,81.08137409,40.54068704,65.06250526,81.08137409,7.371034008,40.54068704,-7.11E-15,0.035942988,0.003267544,-3.658403385,96.6548206,8.786801873,5.028260689,81.08137409,40.54068704,65.06250526,81.08137409,7.371034008,40.54068704,-7.11E-15,0.035942988,0.003267544,-3.658403385,96.6548206,8.786801873,5.028260689,81.08137409,40.54068704,65.06250526,81.08137409,7.371034008,40.54068704,-7.11E-15,0.035942988,0.003267544,-3.658403385,96.6548206,8.786801873,5.028260689,81.08137409,40.54068704,65.06250526,81.08137409,7.371034008,40.54068704,-7.11E-15,0.035942988,0.003267544,-3.658403385,96.6548206,8.786801873,5.028260689,81.08137409,40.54068704,65.06250526,81.08137409,7.371034008,40.54068704,-7.11E-15,0.035942988,0.003267544,-3.658403385,96.6548206,8.786801873,5.028260689,81.08137409,40.54068704,65.06250526,81.08137409,7.371034008,40.54068704,-7.11E-15,0.035942988,0.003267544,-3.658403385,96.6548206,8.786801873,5.028260689,102.4671163,50.94488864,82.79188575,102.1392927,9.285390241,50.94488864,-0.515151515,0.067698332,0.006154394,-2.96196311,72.87001964,6.62454724,4.717545031,0,11.79,12.21008907,-0.30694804,0.113324402,5.121644712,7.506008939,10,32,31,31,9,1,1,0,0,1,24.050554,3.528511114,3.389235597,3.15389552,2.837251781,2.468183043,2.085026119,1.729506018,1.436930308,1.93335895,1.821098237,1.650555752,1.441660775,1.21519971,0.99481852,0.805028515,0.660611128,3.555951435,3.418215328,3.187664421,2.879260903,2.52168363,2.152988063,1.814099976,1.538392554,1.874414323,1.757815922,1.579009916,1.357086745,1.114247461,0.876992488,0.672049932,0.515660957,3.676395759,3.54602508,3.336158684,3.063099335,2.753798013,2.443357204,2.167585494,1.951499967,1.70038959,1.57159315,1.365725144,1.099409194,0.799101819,0.499036825,0.233855549,0.027138287,3.576156831,3.439588677,3.212556241,2.910201054,2.561009291,2.202731497,1.875590932,1.611498846,1.836823003,1.717497646,1.533170188,1.30239302,1.048314109,0.799229731,0.583419896,0.418290149,3.734896484,3.608417756,3.408200954,3.151346205,2.86353486,2.577634142,2.32660467,2.132146954,1.645916251,1.513593758,1.298576947,1.0167791,0.695715049,0.37147438,0.081316753,0.147773382,3.68217461,3.470222617,3.27012879,2.973923536,2.622663575,2.264541473,1.944484925,1.692470523,1.869561892,1.702410435,1.459183512,1.184204306,0.91902948,0.681944537,0.473905658,0.30549269,0,0,1,1,0,1,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.363961031,5.414213562,3.474873734,2.207106781,1.383883476,0.853553391,0.515165043,0.301776695,0.760360094,0.541421356,0.386097082,0.275888348,0.197697639,0.142258898,0.103033009,0.075444174,7.9413113,5.023603362,3.198670613,2.011801681,1.245781916,0.755900841,0.446114263,0.25295042,0.721937391,0.502360336,0.355407846,0.25147521,0.177968845,0.125983473,0.089222853,0.063237605,16.96010584,31.76620539,29.98039216,30.36,19.7840994,253.310806,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,4.23929,52.537,41.63839023,66.32546527,83.27678045,7.570616405,41.63839023,5.55E-17,5.05E-18,-41.17294253,2000029.956,181820.9051,15.95953999,150,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,9,1,0,2,0,0,0,0,0,0,0,0,1,1,8,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.727799925,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.372991952,0.312558067,0,0,2.014449981,0.290277778,0,0.685550019,0,0,0,0,0,0,0,0,2.261619403,3.70791606,11.01058067,0,2.019883866,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.019883866,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.372991952,0.312558067,0,0,0.204566116,0.290277778,0,0.312558067,0,0,0,0,0,0,0,0,2.261619403,3.70791606,1.202160494,0,2.019883866,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.70791606,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.372991952,0.312558067,0,0,0.290277778,0.290277778,0,0.372991952,0,0,0,0,0,0,0,0,2.261619403,3.70791606,1.435498866,0,2.019883866,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19,1.727272727,0.372991952,3.70791606,0.204566116,1.202160494,8.028804255,0.297839506,0.70791606,1.978838656,0.297839506,0.70791606,1.978838656,5.5,0.5,0,0,0.43333,0.7,0.42571,0.42571,0.7,0.00762,0.00762,0,0,0.71429,0,0,0.18182,0,0,6,0.54545,5,0.45455,1,0.09091,-4,-0.36364,0,0,10.90278,0.99116,12.33112,1.42834,0.12985,4.84933,0.44085,5.41421,0.56488,0.05135,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,10,0,0,0,0,0,0,0.818181818,0.918295834,1.859030643,2.812045729,3.363062499,3.56775606,3.220733226,30.30376252,61.34801123,92.79750905,110.9810625,117.73595,106.2841965,0.18204284,0.36853398,0.557459561,0.66669305,0.707271473,0.638477714,4.126098285,3.185363476,2.23234839,1.68133162,1.476638059,1.823660893,0.18204284,0.36853398,0.557459561,0.66669305,0.707271473,0.638477714,6.73287657,13.81069686,17.44987708,18.7046628,18.21150087,15.18305481,43.44862503,33.25497916,27.30188504,24.1844432,25.22731992,31.29384347,11,10,10,11,2,11,2.67,1.6155,0.1,4.340313074,0,0,13.18512474,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,5.156,9,8,7,6,5,4,3,2,1,66,2.48490665,2.397895273,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,4.343805422,1.151515152,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0.8,9,0.9,1,5,10,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0,0.05,0.024691358,0.015625,0.011428571,0.009259259,0.008163265,0.0078125,0.008230453,0.01,0,0.145210407,41.63839023,66.32546527,83.27678045,7.570616405,41.63839023,5.55E-17,5.05E-18,-41.17294253,2000029.956,181820.9051,15.95953999,0,196.1758309,4.459431619,3.663561646,4.290459441,4.934473933,5.579729826,6.232448017,6.884486652,7.540621529,8.195609567,8.853236765,77.17462738,3.044522438,0,4.043051268,0,5.176149733,0,6.371611847,0,7.601402335,7.954372273,154.1721507,4.671883355,20.82876223,1.893523839,0,0,0,220,8,6.233,38,1.233375,2.142796006,2.874378779,3.615102465,4.951656529,5.97594123,7.296153396,8.408424236,9.71159138,10.86122716,76.95552721,71.11208456,69.72189952,89.71809271,110.8259021,130.0763843,146.8052205,158.7103661,161.6678744,144.1414284,286.4277219,330.2859121,336.9612815,442.3855082,560.1335186,671.3745089,777.7821582,868.4269863,933.7544149,935.2117934,8.977174115,15.26322129,20.10171738,25.37562733,34.60774047,41.77977178,50.88410317,58.58593548,67.47873875,75.2019225,2.159683081,2.76556956,2.962408016,3.878261917,4.99792129,6.021419921,7.072656672,7.986488118,8.778790237,9.138969324,176.5013729,329.9271931,471.3122369,585.2682558,813.0842999,979.9798664,1205.970943,1393.671801,1623.56268,1835.057572,2.602101562,3.624857844,4.286774666,5.596594374,7.496444231,9.212971882,11.25815794,13.28581682,15.82950634,18.70122414,0.447363281,0.584088869,0.63258505,0.82706524,1.069666357,1.289546439,1.518603789,1.717940899,1.895580373,1.985681357,506.2409526,336.5576932,15.23275628,213.7879326,-142.129895,-15.08358844,292.45302,478.6875882,30.31634472,0.703084228,0.467422488,0.021155757,0.296915772,-0.197394713,-0.020948588,364.5081087,242.3312607,10.96802452,153.9334868,-102.3376299,-10.86061937,0.085181055,0.15437395,1.98425151,5.961758937,720.0288852,0,1,0,641.4656542,25.32717225,8.624312195,855.2173849,29.2441,9.492024275,1021.770276,31.96514157,10.07204726,3.614299217,3.614299217,2460.521136,2427.389854,63.13599499,1.013648933,38.97176462,38.44700403,5.42655501,7.064528488,13.92448231,0.971041992,6.380798851,8.657465984,4.312505498,37.81016289,16.31110077,1.027433483,8.003968815,8.814162311,25.69145662,0.707890772,2.06546493,20.50028124,3.469984803,21.7252709,1.353420379,2.538689981,7.167386806,3.715005059,10.16082999,2.00944522,2.826274326,1.992111242,2.117874971,1.175281569,2.189404349,0.036817747,1.13072042,8.25E-15,1.16E-50,3.15E-108,0.53550694,8.657067956,0.294849136,8.987384935,0.118564492,0.084866376,1.026377865,0.241097176,7.122368951,0.023520902,0.064420301,1.373069421,0.134302435,4.999487058,0.057193398,0.099155441,0.263503798,0.112195326,2.432209835,0.092196179,0.175572273,0.04330917,0.093012817,0.453112823,0.161385225,0.003081356,0.007963756,5.81E-17,8.17E-53,2.22E-110,1.728655636,8.657095348,0.996002998,11.04611963,1.206607616,0.267580988,2.441620515,1.106842298,9.58152814,0.099575614,0.24992816,4.606644352,0.536936648,7.709122613,0.221784105,0.324997983,1.066423214,0.493688612,3.806327309,0.347990734,0.484649725,0.221154431,0.356084778,0.600496723,0.535702389,0.009952595,0.082988481,6.05E-16,8.52E-52,2.31E-109,6.022954269,8.657422565,4.024472031,34.69263319,14.53543384,0.966304524,7.573610326,7.976524651,24.08374035,0.643480497,1.86409079,19.09205673,3.167341202,20.45211809,1.238690718,2.293076925,6.530243538,3.369239521,9.615712462,1.844117085,2.581930807,1.794997088,1.940762454,1.13106167,2.051225463,0.034747096,1.007451537,7.35E-15,1.03E-50,2.80E-108,2.547714811,8.657130141,1.512637542,13.59498197,2.611847314,0.395884052,3.415822139,1.96368654,11.66492095,0.170680753,0.443471369,7.025535928,0.895950501,9.778369304,0.364461601,0.560829413,1.797628298,0.860657073,4.810026966,0.563835312,0.765703553,0.408546382,0.581286452,0.701678911,0.804430741,0.014673963,0.180262071,1.31E-15,1.85E-51,5.02E-109,7.705736272,8.657648378,5.426737267,50.88922462,23.7761911,1.257656104,9.601020698,12.27071931,32.17881204,0.97193558,2.900615529,25.98370534,4.702303974,26.72214461,1.818378984,3.557387956,9.769981665,5.137379074,12.26087923,2.676030783,3.824152081,2.810283518,2.833992901,1.339018452,2.716942912,0.044490494,1.649049466,1.20E-14,1.69E-50,4.59E-108,3.771297765,7.10668949,2.369415867,17.67325946,5.484468206,0.509058555,5.287505699,3.344572329,14.44836063,0.277675906,0.781010106,10.16520103,1.402559198,13.33002423,0.557535646,0.979881581,3.008120789,1.432732137,7.701295415,0.843652298,1.373159481,0.733972816,0.934317108,1.306618728,2.006583272,0.024644081,0.378994933,2.76E-15,3.89E-51,1.06E-108,16.44147173,0.817038531,0.451087095,0.928393311,0.046135353,0.530311203,0.63782888,0.545446151,17.70959736,21.21840718,44.9876,0.892589967,1.713586234,15.7170293,0.312378386,0.097247264,0.974599466,0.019370315,0.48460633,0.093237893,0.025350461,16.12665495,6.468476292,23.07258227,0.961899199,0.603194684,16.00475424,0.512813091,0.23778096,0.955202719,0.030605934,0.50251228,0.251272106,0.15156022,16.7553483,12.13501052,30.84193356,0.932804078,0.905344607,16.42353657,0.804544576,0.442327018,0.929437307,0.045530616,0.529154817,0.618471394,0.524466811,17.67040816,20.83391302,44.34899476,0.89415596,1.672093023,16.13300513,0.602155057,0.300422612,0.947018093,0.035346901,0.510598374,0.346450133,0.241933669,17.0355828,14.74219116,34.69625063,0.920527139,1.098982176,16.49762193,0.856153768,0.478512559,0.925154511,0.048011436,0.5339397,0.700360639,0.613787099,17.83228826,22.4285008,47.01954026,0.887731767,1.848087439,16.55268834,0.80473316,0.442885512,0.929910272,0.045208948,0.537509012,0.618770695,0.525792059,17.80030701,21.0078477,44.70760993,0.894865408,1.682071766 +UMLKV0105,L,1-DODECENE,CCCCCCCCCCC=C,C12H24,Olefin (alkene) with single C=C double bond,Olefins,112-41-4,3.170886316,PubChem,,1.3233,0,-1.2896,1.66306816,43.7905,37.123032,0,0,36,12,24,0,12,0,0,0,0,0,0,0,0,0,1755.554988,1877.475443,1976.454826,1825.335297,1630.610696,1433.853967,1237.097238,1040.340509,843.58378,5828.212687,7412.364712,9572.932199,9706.634037,8762.003181,7755.204836,6748.406491,5741.608146,4734.809801,251.729328,253.768844,468.803368,634.745412,585.29744,522.41254,459.52764,396.64274,333.75784,44.13750972,57.40296344,81.55137309,88.3156144,80.18331135,71.16178249,62.14025364,53.11872478,44.09719592,5959.555922,5069.679062,10256.14259,15032.5925,13923.47265,12444.51749,10965.56234,9486.607182,8007.652027,61.25,71,108.25,131,120.75,108.5,96.25,84,71.75,48.76541633,53.64215551,29.94628524,20.05862964,19.4120321,19.11805289,18.74389755,18.25158788,17.57466208,161.8947969,211.7818489,145.0444273,106.6663081,104.3095617,103.4027311,102.2485832,100.7299675,98.64187085,6.992481333,7.2505384,7.103081333,6.975224308,6.967826667,6.965500533,6.96254,6.958644561,6.953288333,1.226041937,1.64008467,1.235626865,0.970501257,0.95456323,0.948823767,0.941518994,0.931907452,0.918691582,165.54322,144.8479732,155.3960998,165.1933242,165.7556268,165.9268999,166.1448839,166.431705,166.8260839,1.701388889,2.028571429,1.640151515,1.43956044,1.4375,1.446666667,1.458333333,1.473684211,1.494791667,0.070393724,-0.007612276,-0.033385028,0.001676797,0.001215078,9.05E-05,9.71E-07,-1.72E-05,-7.06E-05,968.528072,-53.80711511,-443.9086997,-26.90355756,2.10E-13,2.10E-13,2.66E-13,2.66E-13,3.23E-13,1801.019308,-100.0566282,-825.4671826,-50.0283141,1.35E-13,2.13E-14,-9.24E-14,-9.24E-14,-2.06E-13,0.189728,-0.010540444,-0.086958667,-0.005270222,-4.17E-16,-4.31E-16,-4.31E-16,-4.45E-16,-4.45E-16,8.051394279,-0.447299682,-3.690222378,-0.223649841,-3.55E-15,-3.55E-15,-3.55E-15,-3.55E-15,-3.55E-15,43.73530151,-2.429738973,-20.04534652,-1.214869486,9.61E-14,9.61E-14,9.26E-14,8.90E-14,9.08E-14,6.243055556,-0.368248457,-1.66087963,-0.044945988,0.023148148,-0.02025463,-0.063657407,-0.107060185,-0.150462963,0.001955381,-2.17E-04,-5.06E-04,1.84E-05,1.45E-05,1.21E-06,1.47E-08,-3.01E-07,-1.47E-06,26.90355756,-1.537346146,-6.725889389,-0.29564349,2.50E-15,2.79E-15,4.04E-15,4.67E-15,6.74E-15,50.0283141,-2.858760806,-12.50707852,-0.549761693,1.61E-15,2.84E-16,-1.40E-15,-1.62E-15,-4.29E-15,0.005270222,-3.01E-04,-0.001317556,-5.79E-05,-4.97E-18,-5.75E-18,-6.53E-18,-7.81E-18,-9.27E-18,0.223649841,-0.012779991,-0.05591246,-0.002457691,-4.23E-17,-4.74E-17,-5.38E-17,-6.23E-17,-7.40E-17,1.214869486,-0.069421114,-0.303717372,-0.013350214,1.14E-15,1.28E-15,1.40E-15,1.56E-15,1.89E-15,0.17341821,-0.010521384,-0.025164843,-4.94E-04,2.76E-04,-2.70E-04,-9.65E-04,-0.001878249,-0.003134645,-0.111228237,-0.258688053,0.0094234,0.007397644,6.17E-04,7.52E-06,-1.54E-04,-7.52E-04,-0.057142857,-0.25,-0.010989011,9.28E-17,1.04E-16,1.50E-16,1.74E-16,2.50E-16,-0.057142857,-0.25,-0.010989011,3.21E-17,5.68E-18,-2.80E-17,-3.24E-17,-8.58E-17,-0.057142857,-0.25,-0.010989011,-9.42E-16,-1.09E-15,-1.24E-15,-1.48E-15,-1.76E-15,-0.057142857,-0.25,-0.010989011,-1.89E-16,-2.12E-16,-2.41E-16,-2.79E-16,-3.31E-16,-0.057142857,-0.25,-0.010989011,9.42E-16,1.06E-15,1.15E-15,1.29E-15,1.56E-15,-0.060670586,-0.145110729,-0.002848097,0.001589067,-0.001557286,-0.005561735,-0.010830748,-0.01807564,1.471534648,1.299647205,0.831017471,0.843519281,0.867370247,0.890877515,0.921202472,0.963274682,1.5,1.425189394,0.961538462,0.9375,0.933333333,0.928030303,0.921052632,0.911458333,1.5,1.425189394,0.961538462,0.9375,0.933333333,0.928030303,0.921052632,0.911458333,1.5,1.425189394,0.961538462,0.9375,0.933333333,0.928030303,0.921052632,0.911458333,1.5,1.425189394,0.961538462,0.9375,0.933333333,0.928030303,0.921052632,0.911458333,1.5,1.425189394,0.961538462,0.9375,0.933333333,0.928030303,0.921052632,0.911458333,1.44160178,0.923753666,0.716180371,0.742491657,0.794215795,0.860046516,0.946665886,1.065767519,97.02270756,48.51135378,77.70594487,97.02270756,8.08522563,48.51135378,-4.97E-14,0.03189205,0.002657671,-4.134478202,68.6026667,5.716888891,5.073997689,97.02270756,48.51135378,77.70594487,97.02270756,8.08522563,48.51135378,-4.97E-14,0.03189205,0.002657671,-4.134478202,68.6026667,5.716888891,5.073997689,97.02270756,48.51135378,77.70594487,97.02270756,8.08522563,48.51135378,-4.97E-14,0.03189205,0.002657671,-4.134478202,68.6026667,5.716888891,5.073997689,97.02270756,48.51135378,77.70594487,97.02270756,8.08522563,48.51135378,-4.97E-14,0.03189205,0.002657671,-4.134478202,68.6026667,5.716888891,5.073997689,97.02270756,48.51135378,77.70594487,97.02270756,8.08522563,48.51135378,-4.97E-14,0.03189205,0.002657671,-4.134478202,68.6026667,5.716888891,5.073997689,97.02270756,48.51135378,77.70594487,97.02270756,8.08522563,48.51135378,-4.97E-14,0.03189205,0.002657671,-4.134478202,68.6026667,5.716888891,5.073997689,120.8336396,60.10830336,97.36328358,120.4817877,10.04014897,60.10830336,-0.527777778,0.060987513,0.005082293,-3.356503377,68.34234974,5.695195812,5.069435555,0,11.79,12.21009945,-0.306948042,0.113337828,5.122884013,7.545369788,11,35,34,34,10,1,1,0,0,1,26.236968,3.534437823,3.414371147,3.211369072,2.935422761,2.607244663,2.255190003,1.911720091,1.607829398,1.938701991,1.841120936,1.691007374,1.504159944,1.29743691,1.089040798,0.898966626,0.742936157,3.561899369,3.443046039,3.243875807,2.974654165,2.655992466,2.316110089,1.987101215,1.698900093,1.879937385,1.778635052,1.621596518,1.423820294,1.202760904,0.978731014,0.773733593,0.604928399,3.68231511,3.569425445,3.386900198,3.146661775,2.868453113,2.578667792,2.30633442,2.075921826,1.706281712,1.594693193,1.415409655,1.180732199,0.910155612,0.629492774,0.366970229,0.145980737,3.582113485,3.464189521,3.267838639,3.003559607,2.691867,2.360813238,2.042130871,1.764897403,1.842448147,1.738820822,1.577193527,1.372015698,1.141171947,0.906287907,0.690697481,0.512647822,3.740738296,3.631078543,3.456393793,3.229537591,2.969617939,2.701513024,2.452241466,2.243724215,1.651860439,1.537368912,1.350681107,1.103252474,0.815109531,0.513289088,0.227771601,0.01556609,3.695539838,3.491532996,3.32228716,3.066910605,2.755336243,2.424083937,2.110128617,1.843071319,1.869914734,1.727020812,1.514021489,1.263916407,1.01167913,0.780480944,0.574571804,0.397364031,0,0,1,1,0,1,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.071067812,5.914213562,3.828427125,2.457106781,1.560660172,0.978553391,0.603553391,0.364276695,0.755922318,0.537655778,0.382842712,0.273011865,0.195082521,0.139793342,0.100592232,0.072855339,8.648418081,5.523603362,3.552224003,2.261801681,1.422558611,0.880900841,0.53450261,0.31545042,0.720701507,0.50214576,0.3552224,0.251311298,0.177819826,0.125842977,0.089083768,0.063090084,18.50193365,34.65404224,32.70588235,33.12,21.58265389,276.3390611,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,4.62939,57.154,49.62873849,78.97647876,99.25747698,8.271456415,49.62873849,0,0,0,68.72631161,5.727192634,5.076158542,182,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,10,1,0,2,0,0,0,0,0,0,0,0,1,1,9,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.743876601,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.37125584,0.310491952,0,0,2.218252208,0.290277778,0,0.681747792,0,0,0,0,0,0,0,0,2.267939421,3.718992735,12.48818398,0,2.024883866,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.024883866,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.37125584,0.310491952,0,0,0.203802227,0.290277778,0,0.310491952,0,0,0,0,0,0,0,0,2.267939421,3.718992735,1.203333333,0,2.024883866,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.718992735,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.37125584,0.310491952,0,0,0.290277778,0.290277778,0,0.37125584,0,0,0,0,0,0,0,0,2.267939421,3.718992735,1.446358418,0,2.024883866,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.5,1.708333333,0.37125584,3.718992735,0.203802227,1.203333333,8.748661679,0.296666667,0.718992735,2.023632044,0.296666667,0.718992735,2.023632044,6,0.5,0,0,0.43333,0.7,0.42632,0.42632,0.7,0.00702,0.00702,0,0,0.71429,0,0,0.16667,0,0,6.5,0.54167,5.5,0.45833,1,0.08333,-4.5,-0.375,0,0,12.40958,1.03413,13.87794,1.46835,0.12236,5.34933,0.44578,5.91421,0.56488,0.04707,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,11,0,0,0,0,0,0,0.833333333,0.918295834,1.808992963,2.718128821,3.26633264,3.524944975,3.331569183,33.05865003,65.12374667,97.85263755,117.587975,126.8980191,119.9364906,0.177622661,0.349907003,0.525757882,0.631794976,0.681817429,0.644413445,4.251629167,3.360932038,2.451796181,1.903592361,1.644980026,1.838355819,0.177622661,0.349907003,0.525757882,0.631794976,0.681817429,0.644413445,6.73287657,13.43793847,16.94657831,18.34024422,18.33989147,16.30019678,47.39850003,37.01441681,30.96566634,27.37184758,27.25052872,31.97168273,12,11,11.11111111,12,2,12,2.78,1.7564,0.090909091,4.416250426,0,0,15.15959565,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,5.655,10,9,8,7,6,5,4,3,2,77,2.564949357,2.48490665,2.397895273,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,4.477336814,1.12987013,0.454545455,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0.818181818,10,0.909090909,1,6,11,0.833333333,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.045454545,0.022222222,0.013888889,0.01,0.007936508,0.006802721,0.00625,0.00617284,0.006666667,0.008264463,0.133658855,49.62873849,78.97647876,99.25747698,8.271456415,49.62873849,0,0,0,68.72631161,5.727192634,5.076158542,0,213.4718155,4.584962501,3.761200116,4.394449155,5.043425117,5.693732139,6.350885717,7.007600614,7.668093709,8.327726166,8.989818381,80.23693111,3.135494216,0,4.143134726,0,5.283203729,0,6.484635236,0,7.72001794,8.07059354,168.1878008,4.671883355,22.82859468,1.90238289,0,0,0,286,9,6.802,42,1.234771429,2.144445143,2.874713624,3.616221145,4.952849041,5.977129637,7.297643145,8.410216756,9.714305699,10.86558412,77.40690014,71.70032239,70.47724067,91.16393429,113.140348,133.7075067,152.6559275,168.4547804,179.2606578,180.2600239,287.6030586,332.1316802,339.0298918,446.7522551,567.0217938,682.332182,795.3484337,897.9171932,986.8667642,1044.941167,8.988503611,15.27884866,20.10823579,25.39379047,34.63226482,41.81473722,50.93710065,58.67117333,67.62840017,75.5055719,2.166745798,2.777618598,2.97481978,3.905825842,5.041011542,6.090287521,7.182730316,8.171836115,9.112144536,9.829446071,176.6286436,329.8980227,471.0730128,584.6972097,812.1028308,978.226441,1203.106599,1388.644,1614.447651,1815.748714,2.572371429,3.604491075,4.259953919,5.557768527,7.432841289,9.10997414,11.09061938,13.00229939,15.22195975,17.72092929,0.448758643,0.586500862,0.635024903,0.83253633,1.078202404,1.303196399,1.540407146,1.754670455,1.961620534,2.122526304,543.8926787,390.4464706,16.58798263,192.8116821,-138.414514,-13.10524631,351.0809966,528.8609846,29.69322894,0.738278077,0.529990715,0.022516471,0.261721923,-0.187883392,-0.017789017,400.6881083,287.6436176,12.22043914,142.045207,-101.970576,-9.654692108,0.078885462,0.142964423,1.628185756,3.713727649,736.7043608,0,1,0,703.5472233,26.52446462,8.89401282,936.6730262,30.60511438,9.784290485,1135.180147,33.69243456,10.43169616,3.62506598,3.62506598,3183.023992,3146.741124,69.61681433,1.0115303,45.72205756,45.20087789,5.756058046,8.108225633,15.14836533,0.86827131,6.938599958,9.605983292,4.608838005,42.78304065,18.28595042,1.027449124,8.79828189,8.952189784,30.05585516,0.738702524,2.065871007,25.04950743,3.580523388,27.69030752,1.35348856,2.540730501,10.21578186,3.735823167,16.9990383,2.14355274,2.655510119,3.044657458,5.433879708,5.025117237,3.702572261,1.566011537,0.174123443,2.646367615,0.221334571,8.53E-06,0.582319321,9.605543159,0.316966068,10.00077753,0.132630836,0.084881889,1.148936932,0.24206967,8.201321105,0.023737939,0.064826377,1.685432641,0.135080968,6.149123022,0.057193879,0.101194429,0.3654821,0.112341951,3.543357184,0.093140709,0.17050868,0.066602327,0.126438648,1.104751669,0.157160006,0.149229249,0.014277348,0.091466847,0.001558877,6.01E-08,1.87977171,9.605573442,1.069212655,12.32732459,1.351954583,0.267596509,2.701283735,1.116973647,11.07613565,0.101837092,0.250334236,5.648200028,0.545049555,9.596367557,0.22178911,0.327037283,1.494030742,0.495216545,5.798080806,0.357833468,0.452423419,0.33830633,0.625334894,1.71313688,0.608524115,0.310893852,0.046300966,0.381338305,0.016244705,6.26E-07,6.549473012,9.605935278,4.30229069,39.23193743,16.29509764,0.96632015,8.326793738,8.099504889,28.15680475,0.670933232,1.864496868,23.33391971,3.265829091,26.03557431,1.238751466,2.295117351,9.300693141,3.387788081,16.00128462,1.963604471,2.423666871,2.743413518,4.902197392,4.717246867,3.389183288,1.434160945,0.164123971,2.408012479,0.197205118,7.60E-06,2.770432101,9.605611915,1.62236988,15.22048854,2.92717323,0.395899584,3.769607564,1.985692308,13.52056998,0.17559292,0.443877446,8.607934165,0.913572819,12.24479937,0.364472472,0.562868928,2.530659994,0.863975946,7.491923606,0.585215044,0.712853309,0.624641571,1.141351469,2.187737001,0.999231875,0.459738088,0.068463629,0.649104167,0.035285671,1.36E-06,8.379361891,9.606184989,5.793578603,57.68449672,26.65581059,1.257671804,10.54762449,12.47201825,37.72430672,1.016871535,2.901021607,31.72544314,4.863514112,34.19853951,1.818478419,3.559428823,13.95826469,5.167740327,20.8908424,2.871613997,3.604429709,4.295063734,7.637225659,6.242082113,4.972298962,2.105420986,0.211389751,3.621932864,0.322795671,1.24E-05,4.142080575,7.996399228,2.568419678,20.1968463,6.283788232,0.520420456,5.829320584,3.466438787,16.93355607,0.294424734,0.79873647,12.56157769,1.471706858,16.60573445,0.569989745,1.003301632,4.295882809,1.471809522,11.22894736,0.90841462,1.15601381,1.179431876,2.082661252,4.109788679,1.852924381,1.050545221,0.118377701,1.234333124,0.075840995,2.92E-06,19.409825,0.819248444,0.459376838,0.938196179,0.039599314,0.53301812,0.645558783,0.555547763,20.68845028,25.1942367,53.18745348,0.907294268,1.734124666,18.68285379,0.314740465,0.099034402,0.97833257,0.016481468,0.493912463,0.095409472,0.025819949,19.09662866,7.761665483,27.44064119,0.967498855,0.615141885,18.97144258,0.515255239,0.242150721,0.961609216,0.026116843,0.509251263,0.255718657,0.154367101,19.72884854,14.49385311,36.58975767,0.942413824,0.919337021,19.39181316,0.806772326,0.450455774,0.939114456,0.039070692,0.532030509,0.626104713,0.534179887,20.64904126,24.74334767,52.4396696,0.908671685,1.692315109,19.10013847,0.604572935,0.305943555,0.954498416,0.030212551,0.516170109,0.351978611,0.246414258,20.01065496,17.57595622,41.11947198,0.931747625,1.114562978,19.46621981,0.858303276,0.487306305,0.935344003,0.041241126,0.536116476,0.708355341,0.625154378,20.81182939,26.61218848,55.56589274,0.903016004,1.869626196,19.53872192,0.807178047,0.45115641,0.939494588,0.03881213,0.540121565,0.626705653,0.535842899,20.79705637,24.95041058,52.86275728,0.909241883,1.702670117 +UMLKV0106,L,1-TRIDECENE,CCCCCCCCCCCC=C,C13H26,Olefin (alkene) with single C=C double bond,Olefins,2437-56-1,3.251478955,PubChem,,1.6032,0,-1.5776,2.48882176,46.7021,40.216618,0,0,39,13,26,0,13,0,0,0,0,0,0,0,0,0,1901.851237,2045.95374,2170.163363,2022.092026,1827.367425,1630.610696,1433.853967,1237.097238,1040.340509,6313.897078,8065.354847,10486.47931,10713.43238,9768.801526,8762.003181,7755.204836,6748.406491,5741.608146,272.706772,275.544624,511.532876,697.630312,648.18234,585.29744,522.41254,459.52764,396.64274,47.81563553,62.41895206,89.23906324,97.33714326,89.20484021,80.18331135,71.16178249,62.14025364,53.11872478,6456.185582,5502.718514,11180.34479,16511.54765,15402.4278,13923.47265,12444.51749,10965.56234,9486.607182,65.5,76.25,117.5,143.25,133,120.75,108.5,96.25,84,48.76541633,53.84088789,30.14115782,20.22092026,19.6491121,19.4120321,19.11805289,18.74389755,18.25158788,161.8947969,212.2461802,145.645546,107.1343238,105.0408766,104.3095617,103.4027311,102.2485832,100.7299675,6.992481333,7.251174316,7.104623278,6.97630312,6.969702581,6.967826667,6.965500533,6.96254,6.958644561,1.226041937,1.642604002,1.239431434,0.973371433,0.95919183,0.95456323,0.948823767,0.941518994,0.931907452,165.54322,144.8083819,155.2825665,165.1154765,165.6175033,165.7556268,165.9268999,166.1448839,166.431705,1.679487179,2.006578947,1.631944444,1.4325,1.430107527,1.4375,1.446666667,1.458333333,1.473684211,0.074616277,-0.007612276,-0.035496305,0.001676797,0.001215083,9.06E-05,2.76E-06,-1.88E-06,-1.72E-05,1049.238745,-53.80711511,-484.264036,-26.90355756,9.59E-14,2.10E-13,2.10E-13,2.66E-13,2.66E-13,1951.10425,-100.0566282,-900.5096538,-50.0283141,-1.99E-13,1.42E-13,1.42E-13,1.42E-13,1.42E-13,0.205538667,-0.010540444,-0.094864,-0.005270222,-5.72E-16,-5.99E-16,-6.55E-16,-6.83E-16,-7.10E-16,8.722343802,-0.447299682,-4.025697139,-0.223649841,-2.66E-15,-3.55E-15,-3.55E-15,-3.55E-15,-3.55E-15,47.37990997,-2.429738973,-21.86765075,-1.214869486,9.97E-14,9.61E-14,9.61E-14,9.26E-14,8.90E-14,6.423076923,-0.341715976,-1.74260355,-0.039940828,0.029585799,-0.00739645,-0.044378698,-0.081360947,-0.118343195,0.001913238,-2.00E-04,-4.93E-04,1.68E-05,1.31E-05,1.08E-06,3.68E-08,-2.85E-08,-3.02E-07,26.90355756,-1.415976713,-6.725889389,-0.269035576,1.03E-15,2.50E-15,2.79E-15,4.04E-15,4.67E-15,50.0283141,-2.633069163,-12.50707852,-0.500283141,-2.14E-15,1.69E-15,1.89E-15,2.15E-15,2.49E-15,0.005270222,-2.77E-04,-0.001317556,-5.27E-05,-6.15E-18,-7.14E-18,-8.73E-18,-1.03E-17,-1.25E-17,0.223649841,-0.011771044,-0.05591246,-0.002236498,-2.87E-17,-4.23E-17,-4.74E-17,-5.38E-17,-6.23E-17,1.214869486,-0.063940499,-0.303717372,-0.012148695,1.07E-15,1.14E-15,1.28E-15,1.40E-15,1.56E-15,0.16469428,-0.008992526,-0.024202827,-3.99E-04,3.18E-04,-8.81E-05,-5.92E-04,-0.001232742,-0.002076196,-0.104703687,-0.257680573,0.008764185,0.006828952,5.64E-04,1.93E-05,-1.49E-05,-1.58E-04,-0.052631579,-0.25,-0.01,3.83E-17,9.28E-17,1.04E-16,1.50E-16,1.74E-16,-0.052631579,-0.25,-0.01,-4.28E-17,3.38E-17,3.79E-17,4.30E-17,4.98E-17,-0.052631579,-0.25,-0.01,-1.17E-15,-1.35E-15,-1.66E-15,-1.96E-15,-2.36E-15,-0.052631579,-0.25,-0.01,-1.28E-16,-1.89E-16,-2.12E-16,-2.41E-16,-2.79E-16,-0.052631579,-0.25,-0.01,8.82E-16,9.42E-16,1.06E-15,1.15E-15,1.29E-15,-0.054601324,-0.146956088,-0.00242515,0.001931621,-5.35E-04,-0.003592814,-0.00748503,-0.012606366,1.473145509,1.309862499,0.839094985,0.849750696,0.870036291,0.889006918,0.912524284,0.943563572,1.5,1.431089744,0.964615385,0.94292804,0.93956044,0.935384615,0.93006993,0.923076923,1.5,1.431089744,0.964615385,0.94292804,0.93956044,0.935384615,0.93006993,0.923076923,1.5,1.431089744,0.964615385,0.94292804,0.93956044,0.935384615,0.93006993,0.923076923,1.5,1.431089744,0.964615385,0.94292804,0.93956044,0.935384615,0.93006993,0.923076923,1.5,1.431089744,0.964615385,0.94292804,0.93956044,0.935384615,0.93006993,0.923076923,1.44011976,0.934672322,0.717335329,0.739520958,0.783540063,0.838123752,0.907593903,0.999001996,114.3587138,57.17935692,91.45043493,114.3587138,8.796824142,57.17935692,3.55E-14,0.028532059,0.002194774,-4.623745008,137.0401449,10.54154961,6.396356085,114.3587138,57.17935692,91.45043493,114.3587138,8.796824142,57.17935692,3.55E-14,0.028532059,0.002194774,-4.623745008,137.0401449,10.54154961,6.396356085,114.3587138,57.17935692,91.45043493,114.3587138,8.796824142,57.17935692,3.55E-14,0.028532059,0.002194774,-4.623745008,137.0401449,10.54154961,6.396356085,114.3587138,57.17935692,91.45043493,114.3587138,8.796824142,57.17935692,3.55E-14,0.028532059,0.002194774,-4.623745008,137.0401449,10.54154961,6.396356085,114.3587138,57.17935692,91.45043493,114.3587138,8.796824142,57.17935692,3.55E-14,0.028532059,0.002194774,-4.623745008,137.0401449,10.54154961,6.396356085,114.3587138,57.17935692,91.45043493,114.3587138,8.796824142,57.17935692,3.55E-14,0.028532059,0.002194774,-4.623745008,137.0401449,10.54154961,6.396356085,140.5772857,69.96339299,113.020726,140.2045046,10.78496189,69.96339299,-0.538461538,0.055250381,0.004250029,-3.764644053,103.7658056,7.981985046,6.034777438,0,11.79,12.21010994,-0.306948043,0.113351424,5.123502005,7.574171999,12,38,37,37,11,1,1,0,0,1,28.423382,3.539247066,3.434606227,3.257710466,3.015446525,2.722953485,2.401518207,2.076346061,1.77332661,1.943025219,1.85746689,1.724484014,1.556656497,1.36786114,1.172606419,0.986916247,0.82550257,3.566724992,3.463064656,3.289283541,3.052576039,2.768042897,2.456905976,2.144210789,1.855299271,1.884407127,1.795615422,1.656730671,1.479647056,1.278365919,1.068841856,0.868839408,0.694417854,3.687112502,3.588397132,3.42823338,3.215558813,2.965148469,2.697088247,2.434547194,2.199422956,1.711055983,1.613439254,1.455949004,1.24790615,1.003992704,0.743911655,0.490275504,0.264209831,3.586945447,3.484043255,3.312557794,3.07993807,2.801248758,2.4976188,2.193907577,1.914978262,1.847001358,1.756198397,1.613433878,1.430105816,1.220337111,1.000985234,0.790922459,0.607173766,3.745470361,3.649491414,3.495808569,3.294293594,3.059485464,2.81046183,2.568963785,2.355014811,1.65667933,1.556619518,1.39303427,1.174381929,0.915544329,0.637024084,0.362623939,0.115208462,3.707111625,3.508766162,3.363948833,3.142115028,2.865527521,2.562047933,2.261510728,1.990621104,1.869512367,1.746142602,1.558848774,1.332416291,1.095148551,0.870512006,0.66800144,0.48852902,0,0,1,1,0,1,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.778174593,6.414213562,4.181980515,2.707106781,1.737436867,1.103553391,0.691941738,0.426776695,0.752167276,0.534517797,0.380180047,0.270710678,0.193048541,0.137944174,0.09884882,0.071129449,9.355524862,6.023603362,3.905777394,2.511801681,1.599335306,1.005900841,0.622890958,0.37795042,0.719655759,0.501966947,0.355070672,0.251180168,0.177703923,0.125737605,0.088984423,0.062991737,20.04376145,37.5418791,35.43137255,35.88,23.38120838,299.3673162,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,5.01949,61.771,58.31391262,92.72762715,116.6278252,8.971371172,58.31391262,5.00E-16,3.84E-17,-45.80254012,2000042.483,153849.4218,18.86128267,216,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,11,1,0,2,0,0,0,0,0,0,0,0,1,1,10,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.757398214,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.36977655,0.30875584,0,0,2.421467609,0.290277778,0,0.678532391,0,0,0,0,0,0,0,0,2.273098937,3.728382117,13.96950285,0,2.029016097,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.029016097,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.36977655,0.30875584,0,0,0.203215401,0.290277778,0,0.30875584,0,0,0,0,0,0,0,0,2.273098937,3.728382117,1.204201102,0,2.029016097,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.728382117,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.36977655,0.30875584,0,0,0.290277778,0.290277778,0,0.36977655,0,0,0,0,0,0,0,0,2.273098937,3.728382117,1.453668981,0,2.029016097,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22,1.692307692,0.36977655,3.728382117,0.203215401,1.204201102,9.469029134,0.295798898,0.728382117,2.060994303,0.295798898,0.728382117,2.060994303,6.5,0.5,0,0,0.43333,0.7,0.42683,0.42683,0.7,0.0065,0.0065,0,0,0.71429,0,0,0.15385,0,0,7,0.53846,6,0.46154,1,0.07692,-5,-0.38462,0,0,13.95833,1.07372,15.46341,1.50508,0.11578,5.84933,0.44995,6.41421,0.56488,0.04345,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,12,0,0,0,0,0,0,0.846153846,0.918295834,1.764219206,2.632452937,3.172007747,3.459929157,3.395900053,35.81353753,68.80454903,102.6656646,123.7083021,134.9372371,132.4401021,0.173741902,0.333790908,0.498061042,0.600145006,0.65461984,0.642505511,4.367106385,3.521183013,2.652949282,2.113394471,1.825473062,1.889502166,0.173741902,0.333790908,0.498061042,0.600145006,0.65461984,0.642505511,6.73287657,13.10303775,16.48029048,17.95049811,18.24067252,17.24971159,51.34837503,40.80228301,34.69506618,30.7630768,29.85473441,32.77905939,13,12,12,13,2,13,2.89,1.8973,0.083333333,4.481346495,0,0,17.15864512,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,6.154,11,10,9,8,7,6,5,4,3,88,2.63905733,2.564949357,2.48490665,2.397895273,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,4.59511985,1.113636364,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0.833333333,11,0.916666667,1,6,12,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.041666667,0.02020202,0.0125,0.008888889,0.006944444,0.005830904,0.005208333,0.004938272,0.005,0.005509642,0.123633615,58.31391262,92.72762715,116.6278252,8.971371172,58.31391262,5.00E-16,3.84E-17,-45.80254012,2000042.483,153849.4218,18.86128267,0,230.7678001,4.700439718,3.850147602,4.48863637,5.141663557,5.796057751,6.456769656,7.117205503,7.78113851,8.444407422,9.109967398,83.18599377,3.218875825,0,4.234106505,0,5.379897354,0,6.586171655,0,7.826044014,8.174702882,182.2034508,4.671883355,24.8285109,1.909885454,0,0,0,364,10,7.371,46,1.235947368,2.145819424,2.874988197,3.617123306,4.953786014,5.978032826,7.298726598,8.411443218,9.716002149,10.86792424,77.78700366,72.19052059,71.09662041,92.32993556,114.9588412,136.4671598,156.9109871,175.1220112,190.2561474,199.7759321,288.5928158,333.6698203,340.7261522,450.2738252,572.4340101,690.6600136,808.1239068,918.0947032,1020.061983,1104.16035,8.998044239,15.29187147,20.11358088,25.40843817,34.65153394,41.84131096,50.97564426,58.72949397,67.72193855,75.66910489,2.172693349,2.787659462,2.984997426,3.928054814,5.074868169,6.142626898,7.262783875,8.298653165,9.320490973,10.2018808,176.735819,329.873714,470.876849,584.2366887,811.3316765,976.8938376,1201.02344,1385.203925,1608.750758,1805.349017,2.547335526,3.587518768,4.237960906,5.52645736,7.382867548,9.031695856,10.96877316,12.80831379,14.9004092,17.04154689,0.449933684,0.588510856,0.637025583,0.8369485,1.084909299,1.313570369,1.556264133,1.779801204,2.002895634,2.196331501,566.4350459,436.6823428,16.77746188,218.8197169,-168.6949056,-15.05752882,347.6153291,605.3772484,31.8349907,0.721339205,0.556102762,0.021365629,0.278660795,-0.214828249,-0.019175342,444.7958176,342.9068895,13.17458185,171.8292249,-132.4684781,-11.82399622,0.073456418,0.133125346,1.66400657,5.660300238,785.2547628,0,1,0,765.6287925,27.66999806,9.14827938,1018.128667,31.90812855,10.06006736,1249.232778,35.34448724,10.76996909,4.0006937,4.0006937,4035.727269,3996.510136,75.88031181,1.009812844,53.18543338,52.66860456,6.073843141,8.366181232,16.4037673,0.960723399,7.496401065,10.5545006,4.905170511,47.75591842,20.26080007,1.027464764,9.592594965,9.090217257,34.4202537,0.769514276,2.066277084,29.59873363,3.691061973,33.65534413,1.353556741,2.54277102,13.26417692,3.735834155,23.81029332,2.143553356,2.668332597,5.661868683,4.457794433,9.672706746,2.749460006,2.626620058,2.134122954,2.541841032,1.19322379,2.643576138,0.629131703,10.55401836,0.339083,11.01417013,0.14669718,0.084897401,1.271495999,0.243042164,9.280273259,0.023954976,0.065232453,1.99779586,0.135859501,7.298758986,0.057194359,0.103233418,0.467460402,0.112342031,4.654314699,0.093140713,0.176578465,0.103348184,0.114693754,2.07802126,0.124866153,0.225758919,0.028113087,0.106393967,0.366371727,0.172061182,2.030887785,10.55405154,1.142422312,13.60852954,1.497301551,0.26761203,2.960946956,1.127104996,12.57074316,0.104098571,0.250740313,6.689755704,0.553162463,11.4836125,0.221794115,0.329076584,1.92163827,0.495217353,7.787856084,0.357833513,0.458953131,0.576545702,0.541183145,3.403894876,0.472848519,0.512677005,0.190155781,0.413908275,0.535138301,0.58824637,7.075991756,10.55444799,4.580109349,43.77124168,18.05476145,0.966335777,9.079977151,8.222485127,32.22986916,0.698385967,1.864902945,27.57578268,3.364316981,31.61903053,1.238812213,2.297157777,12.07114274,3.387797871,22.36284188,1.96360502,2.43575104,5.087593317,4.029169529,9.128393131,2.522363391,2.407773723,1.910442037,2.325666136,1.14260041,2.461032838,2.99314939,10.55409369,1.732102218,16.84599512,3.242499146,0.395915116,4.123392989,2.007698076,15.37621901,0.180505086,0.444283522,10.1903324,0.931195137,14.71122944,0.364483342,0.564908444,3.26369169,0.863977699,10.16952329,0.585215142,0.719971451,1.097768774,0.970547185,4.380683746,0.767475313,0.769956377,0.3809199,0.681307042,0.650994696,0.900163653,9.05298751,10.5547216,6.16041994,64.47976882,29.53543008,1.257687504,11.49422828,12.67331719,43.2698014,1.061807491,2.901427685,37.46718093,5.024724249,41.67493441,1.818577853,3.56146969,18.14654771,5.167756351,29.48149672,2.871614895,3.62035473,8.053826231,6.229582428,11.77817647,3.665712455,3.518509494,3.069897058,3.41840205,1.380664025,3.35492127,4.513054604,8.89373845,2.76625155,22.75124311,7.093285392,0.530335804,6.372239438,3.58059824,19.46000367,0.310786074,0.814254712,15.01163562,1.53830922,19.9569102,0.580859927,1.023996205,5.621551503,1.499820525,14.84554108,0.925701119,1.185129478,2.150464795,1.745703259,7.388384143,1.19962205,1.420851952,0.775401031,1.190056289,1.239176111,2.316830429,22.63376015,0.8218345,0.466391235,0.94614888,0.034354777,0.535390383,0.656148144,0.564095296,23.92198589,29.5406887,62.13811354,0.91922332,1.755633824,21.90839475,0.315955058,0.100546595,0.981343624,0.014152588,0.501623204,0.096982267,0.026217209,22.32489641,9.15665084,32.17753763,0.972015437,0.62482268,22.1964863,0.516873996,0.245848211,0.966779246,0.02251271,0.514902761,0.25954206,0.156742159,22.95920851,17.05682558,42.83659815,0.95016887,0.93118698,22.61580215,0.809310355,0.457333952,0.946963377,0.033887247,0.534541125,0.636302426,0.54239866,23.88244645,29.01630213,61.26942468,0.920445066,1.713242211,22.32490058,0.606431818,0.310615122,0.960543455,0.026092126,0.52087791,0.357273519,0.250205533,23.24194752,20.66134865,48.10856834,0.940815183,1.128356962,22.68998188,0.861044253,0.494747168,0.943616227,0.035808549,0.538053543,0.720250268,0.634772864,24.04577331,31.18888199,64.90056955,0.915424341,1.893076675,22.78055161,0.809919361,0.458160801,0.947270174,0.033678397,0.542356774,0.637270846,0.54436172,24.04863178,29.25863888,61.76052519,0.920905261,1.72398934 +UMLKV0107,L,1-TETRADECENE,CCCCCCCCCCCCC=C,C14H28,Olefin (alkene) with single C=C double bond,Olefins,1120-36-1,3.326059562,PubChem,,1.9222,0,-1.8656,3.48046336,49.6137,43.310204,0,0,42,14,28,0,14,0,0,0,0,0,0,0,0,0,2048.147486,2214.432037,2363.8719,2218.848755,2024.124154,1827.367425,1630.610696,1433.853967,1237.097238,6799.581469,8718.344981,11400.02642,11720.23073,10775.59987,9768.801526,8762.003181,7755.204836,6748.406491,293.684216,297.320404,554.262384,760.515212,711.06724,648.18234,585.29744,522.41254,459.52764,51.49376134,67.43494068,96.92675338,106.3586721,98.22636907,89.20484021,80.18331135,71.16178249,62.14025364,6952.815242,5935.757965,12104.54699,17990.50281,16881.38296,15402.4278,13923.47265,12444.51749,10965.56234,69.75,81.5,126.75,155.5,145.25,133,120.75,108.5,96.25,48.76541633,54.01053749,30.30605,20.3564106,19.84435445,19.6491121,19.4120321,19.11805289,18.74389755,161.8947969,212.6425605,146.1541849,107.5250525,105.643136,105.0408766,104.3095617,103.4027311,102.2485832,6.992481333,7.251717171,7.105928,6.97720378,6.971247451,6.969702581,6.967826667,6.965500533,6.96254,1.226041937,1.644754651,1.242650684,0.975767634,0.963003618,0.95919183,0.95456323,0.948823767,0.941518994,165.54322,144.7745845,155.1864998,165.0504845,165.5037545,165.6175033,165.7556268,165.9268999,166.1448839,1.660714286,1.987804878,1.625,1.426605505,1.424019608,1.430107527,1.4375,1.446666667,1.458333333,0.07883883,-0.007612276,-0.037607581,0.001676797,0.001215083,9.06E-05,2.89E-06,-9.16E-08,-1.92E-06,1129.949417,-53.80711511,-524.6193723,-26.90355756,-1.78E-14,-1.78E-14,2.10E-13,2.10E-13,2.66E-13,2101.189192,-100.0566282,-975.5521249,-50.0283141,-6.54E-13,-1.99E-13,1.42E-13,1.42E-13,1.42E-13,0.221349333,-0.010540444,-0.102769333,-0.005270222,-3.89E-16,-4.17E-16,-4.31E-16,-4.31E-16,-4.31E-16,9.393293325,-0.447299682,-4.361171901,-0.223649841,-2.66E-15,-3.55E-15,-3.55E-15,-3.55E-15,-3.55E-15,51.02451843,-2.429738973,-23.68995498,-1.214869486,9.97E-14,9.97E-14,9.97E-14,9.61E-14,9.26E-14,6.601190476,-0.319019274,-1.824829932,-0.036422902,0.034013605,0.00212585,-0.029761905,-0.06164966,-0.093537415,0.001877115,-1.86E-04,-4.82E-04,1.54E-05,1.19E-05,9.74E-07,3.44E-08,-1.22E-09,-2.91E-08,26.90355756,-1.312368661,-6.725889389,-0.246821629,-1.74E-16,-1.91E-16,2.50E-15,2.79E-15,4.04E-15,50.0283141,-2.440405566,-12.50707852,-0.458975359,-6.41E-15,-2.14E-15,1.69E-15,1.89E-15,2.15E-15,0.005270222,-2.57E-04,-0.001317556,-4.84E-05,-3.82E-18,-4.49E-18,-5.13E-18,-5.75E-18,-6.53E-18,0.223649841,-0.010909748,-0.05591246,-0.002051833,-2.61E-17,-3.82E-17,-4.23E-17,-4.74E-17,-5.38E-17,1.214869486,-0.059261926,-0.303717372,-0.011145592,9.77E-16,1.07E-15,1.19E-15,1.28E-15,1.40E-15,0.157171202,-0.007780958,-0.023395256,-3.34E-04,3.33E-04,2.29E-05,-3.54E-04,-8.22E-04,-0.001417234,-0.098909909,-0.256856121,0.008195267,0.006346218,5.19E-04,1.83E-05,-6.50E-07,-1.55E-05,-0.048780488,-0.25,-0.009174312,-6.47E-18,-7.10E-18,9.28E-17,1.04E-16,1.50E-16,-0.048780488,-0.25,-0.009174312,-1.28E-16,-4.28E-17,3.38E-17,3.79E-17,4.30E-17,-0.048780488,-0.25,-0.009174312,-7.24E-16,-8.51E-16,-9.74E-16,-1.09E-15,-1.24E-15,-0.048780488,-0.25,-0.009174312,-1.17E-16,-1.71E-16,-1.89E-16,-2.12E-16,-2.41E-16,-0.048780488,-0.25,-0.009174312,8.05E-16,8.82E-16,9.77E-16,1.06E-15,1.15E-15,-0.049506257,-0.14885205,-0.002126058,0.002121678,1.45E-04,-0.002254283,-0.005229937,-0.009017133,1.474583816,1.31914702,0.846539381,0.855752869,0.873303821,0.88897718,0.907837889,0.931833315,1.5,1.436126374,0.9672346,0.947478992,0.944700461,0.941326531,0.937142857,0.931818182,1.5,1.436126374,0.9672346,0.947478992,0.944700461,0.941326531,0.937142857,0.931818182,1.5,1.436126374,0.9672346,0.947478992,0.944700461,0.941326531,0.937142857,0.931818182,1.5,1.436126374,0.9672346,0.947478992,0.944700461,0.941326531,0.937142857,0.931818182,1.5,1.436126374,0.9672346,0.947478992,0.944700461,0.941326531,0.937142857,0.931818182,1.439134355,0.945585073,0.719393453,0.738317509,0.776375113,0.822587917,0.879891794,0.952824002,133.0884766,66.5442383,106.2957965,133.0884766,9.506319757,66.5442383,-5.68E-14,0.025711824,0.001836559,-5.125126063,90.51939695,6.46567121,6.307789822,133.0884766,66.5442383,106.2957965,133.0884766,9.506319757,66.5442383,-5.68E-14,0.025711824,0.001836559,-5.125126063,90.51939695,6.46567121,6.307789822,133.0884766,66.5442383,106.2957965,133.0884766,9.506319757,66.5442383,-5.68E-14,0.025711824,0.001836559,-5.125126063,90.51939695,6.46567121,6.307789822,133.0884766,66.5442383,106.2957965,133.0884766,9.506319757,66.5442383,-5.68E-14,0.025711824,0.001836559,-5.125126063,90.51939695,6.46567121,6.307789822,133.0884766,66.5442383,106.2957965,133.0884766,9.506319757,66.5442383,-5.68E-14,0.025711824,0.001836559,-5.125126063,90.51939695,6.46567121,6.307789822,133.0884766,66.5442383,106.2957965,133.0884766,9.506319757,66.5442383,-5.68E-14,0.025711824,0.001836559,-5.125126063,90.51939695,6.46567121,6.307789822,161.7009235,80.5109122,129.7672373,161.3097671,11.52212622,80.5109122,-0.547619048,0.050312797,0.003593771,-4.185294138,90.30609245,6.450435175,6.304486898,0,11.79,12.21012053,-0.306948044,0.113365192,5.12381048,7.593960791,13,41,40,40,12,1,1,0,0,1,30.609796,3.543205775,3.451150411,3.295618999,3.081433849,2.819844869,2.527064613,2.222767435,1.928127809,1.946571925,1.870974061,1.752466485,1.601124015,1.428451035,1.246347226,1.067712403,0.905453845,3.570696091,3.479451043,3.326487919,3.116946261,2.862079336,2.578071556,2.284536202,2.002380575,1.888074713,1.809637795,1.68602827,1.526761479,1.343221153,1.148223667,0.956102789,0.781000828,3.69105512,3.603994996,3.462342248,3.272942385,3.047066311,2.800204627,2.550796671,2.317598788,1.71497861,1.62886276,1.489449597,1.303946671,1.083627467,0.843737254,0.602325925,0.37760194,3.590920902,3.500308077,3.349241766,3.143118662,2.893195464,2.615606142,2.329868902,2.056631212,1.850738151,1.770540632,1.643601594,1.479012186,1.28810737,1.084285325,0.882768919,0.698541166,3.749356991,3.664655146,3.528443982,3.348444081,3.135934275,2.905755626,2.675328567,2.462046513,1.66064094,1.572430992,1.42792197,1.233500967,1.000435579,0.74448003,0.484501703,0.239914343,3.717229054,3.522966524,3.397773983,3.203665311,2.957507505,2.680766535,2.39735399,2.130313386,1.868639447,1.761165217,1.59567017,1.39099516,1.169725838,0.953193443,0.754349198,0.575704955,0,0,1,1,0,1,11,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.48528137,6.914213562,4.535533906,2.957106781,1.914213562,1.228553391,0.780330086,0.489276695,0.74894867,0.531862582,0.377961159,0.268827889,0.191421356,0.136505932,0.097541261,0.069896671,10.06263164,6.523603362,4.259330785,2.761801681,1.776112002,1.130900841,0.711279306,0.44045042,0.718759403,0.501815643,0.354944232,0.25107288,0.1776112,0.125655649,0.088909913,0.062921489,21.58558925,40.42971595,38.15686275,38.64,25.17976287,322.3955713,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,5.40959,66.388,67.69391003,107.5789012,135.3878201,9.670558576,67.69391003,2.22E-16,1.59E-17,-50.46111474,90.61877603,6.472769716,6.309326006,254,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,12,1,0,2,0,0,0,0,0,0,0,0,1,1,11,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.768931057,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.36850104,0.30727655,0,0,2.624222409,0.290277778,0,0.675777591,0,0,0,0,0,0,0,0,2.277386278,3.736442738,15.45368266,0,2.032488319,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.032488319,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.36850104,0.30727655,0,0,0.2027548,0.290277778,0,0.30727655,0,0,0,0,0,0,0,0,2.277386278,3.736442738,1.204861111,0,2.032488319,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.736442738,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.36850104,0.30727655,0,0,0.290277778,0.290277778,0,0.36850104,0,0,0,0,0,0,0,0,2.277386278,3.736442738,1.459780093,0,2.032488319,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.5,1.678571429,0.36850104,3.736442738,0.2027548,1.204861111,10.18979144,0.295138889,0.736442738,2.092634671,0.295138889,0.736442738,2.092634671,7,0.5,0,0,0.43333,0.7,0.42727,0.42727,0.7,0.00606,0.00606,0,0,0.71429,0,0,0.14286,0,0,7.5,0.53571,6.5,0.46429,1,0.07143,-5.5,-0.39286,0,0,15.54577,1.11041,17.08479,1.53902,0.10993,6.34933,0.45352,6.91421,0.56488,0.04035,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,13,0,0,0,0,0,0,0.857142857,0.918295834,1.723970442,2.554378151,3.082328137,3.386630971,3.388012435,38.56842503,72.40675856,107.2838824,129.4577817,142.2385008,142.2965223,0.170297066,0.319708635,0.473706934,0.571614743,0.628047406,0.628303597,4.474021589,3.668346981,2.837939271,2.309989286,2.005686451,2.004304987,0.170297066,0.319708635,0.473706934,0.571614743,0.628047406,0.628303597,6.73287657,12.80112732,16.05088893,17.56057689,18.03869226,17.50569629,55.29825003,44.61199238,38.46966904,34.28867148,32.81542625,34.60773531,14,13,13.09090909,14,2,14,3,2.0382,0.076923077,4.537846782,0,0,19.17822878,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,6.653,12,11,10,9,8,7,6,5,4,99,2.708050201,2.63905733,2.564949357,2.48490665,2.397895273,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,4.700480366,1.101010101,0.461538462,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,0.846153846,12,0.923076923,2,7,13,0.857142857,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.038461538,0.018518519,0.011363636,0.008,0.00617284,0.005102041,0.004464286,0.004115226,0.004,0.004132231,0.114877107,67.69391003,107.5789012,135.3878201,9.670558576,67.69391003,2.22E-16,1.59E-17,-50.46111474,90.61877603,6.472769716,6.309326006,0,248.0637848,4.807354922,3.931825633,4.574710979,5.231108617,5.888877958,6.552507887,7.215975003,7.882692206,8.548885638,9.217216676,86.0438006,3.295836866,0,4.317488114,0,5.468060141,0,6.678342115,0,7.921898411,8.26898821,196.2191009,4.671883355,26.82846901,1.916319215,0,0,0,455,11,7.94,50,1.23695122,2.146982278,2.875217428,3.617866262,4.954541637,5.978742474,7.299550022,8.412335189,9.717162878,10.86938682,78.11148228,72.60530367,71.61371726,93.2901719,116.4253679,138.6354586,160.1448324,179.9709064,197.7793772,211.9733748,289.4377305,334.9713234,342.1422963,453.1739418,576.7987006,697.2033099,817.8332664,932.769256,1042.7745,1141.17234,9.006188678,15.30289077,20.1180433,25.42050098,34.66707356,41.86219032,51.00493741,58.77190898,67.7859385,75.77131302,2.177770526,2.796155579,2.993494361,3.946361026,5.1021719,6.183750693,7.32362458,8.390883747,9.463043798,10.4346525,176.8273102,329.8531451,470.7130792,583.8574361,810.7097778,975.8467922,1199.440239,1382.702052,1604.852884,1798.849206,2.525963415,3.573157585,4.219599767,5.500671693,7.342566145,8.970191491,10.87617003,12.66723335,14.68040093,16.68141806,0.450936768,0.590211621,0.638695875,0.840582051,1.090318085,1.321721345,1.568315442,1.798078112,2.031136492,2.242459748,619.0191547,510.0643034,18.91771372,246.148595,-202.8234679,-18.16811821,372.8705597,712.8877713,37.08583193,0.715490325,0.589555382,0.021865949,0.284509675,-0.234432534,-0.020999532,535.555409,441.2911856,16.36699581,212.959826,-175.4763233,-15.71846995,0.06872653,0.124553353,1.537095703,6.114491596,865.1677496,0,1,0,827.7103616,28.76995589,9.389146828,1099.584309,33.15998053,10.32150066,1363.834807,36.93013413,11.08972023,3.985458293,3.985458293,5029.150609,4986.797744,82.34527693,1.008492998,61.07394129,60.55960864,6.38618908,9.364340827,17.63095754,0.882776146,8.054202172,11.50301791,5.201503018,52.72879618,22.23564972,1.027480405,10.38690804,9.22824473,38.78465224,0.800326027,2.066683162,34.14795982,3.801600558,39.62038074,1.353624921,2.54481154,16.31257197,3.735845142,30.62154833,2.143553972,2.674418536,8.277147479,4.498238517,16.82281144,2.897711867,2.403696523,2.308508532,5.288126049,4.811646401,3.785533696,0.675944084,11.50249356,0.361199932,12.02756273,0.160763525,0.084912914,1.394055066,0.244014658,10.35922541,0.024172013,0.065638529,2.31015908,0.136638034,8.44839495,0.05719484,0.105272406,0.569438703,0.11234211,5.765272213,0.093140718,0.182600805,0.140080431,0.114978611,3.080983115,0.125910303,0.242985453,0.033198635,0.133220442,0.883348732,0.17344996,2.182003859,11.50252963,1.215631969,14.88973449,1.642648519,0.267627551,3.220610176,1.137236344,14.06535067,0.106360049,0.251146389,7.731311379,0.56127537,13.37085745,0.221799119,0.331115885,2.349245798,0.495218161,9.777631362,0.357833558,0.464988419,0.814643244,0.544151517,5.309325384,0.483729367,0.522135759,0.212563117,0.634698154,1.454327045,0.654963867,7.602510499,11.5029607,4.857928008,48.31054593,19.81442525,0.966351403,9.833160563,8.345465365,36.30293357,0.725838702,1.865309023,31.81764565,3.46280487,37.20248676,1.238872961,2.299198203,14.84159235,3.387807661,28.72439915,1.963605569,2.441833073,7.430051356,4.06520448,15.77754411,2.654453129,2.214145583,2.068365678,4.777709874,4.489484324,3.473914705,3.21586668,11.50257546,1.841834556,18.47150169,3.557825062,0.395930648,4.477178414,2.029703845,17.23186804,0.185417252,0.444689599,11.77273064,0.948817455,17.17765951,0.364494213,0.566947959,3.996723386,0.863979452,12.84712297,0.58521524,0.726015638,1.570587904,0.97699488,7.010234149,0.791109969,0.76183423,0.420335813,1.142475489,1.914836133,1.061457234,9.726613129,11.50325821,6.527261276,71.27504093,32.41504957,1.257703203,12.44083207,12.87461612,48.81529609,1.106743446,2.901833762,43.20891873,5.185934386,49.15132931,1.818677287,3.563510557,22.33483073,5.167772375,38.07215105,2.871615794,3.626455141,11.80977046,6.28856632,20.92459534,3.881923861,3.170548382,3.312157046,7.39918967,6.097202834,5.042062945,4.884175471,9.797315483,2.963116099,25.33085909,7.911113871,0.539063552,6.916049625,3.688428672,22.02024215,0.326828916,0.827960104,17.50568834,1.602820586,23.36993668,0.590429733,1.042453142,6.978297845,1.524471844,18.54834587,0.94091392,1.209446813,3.155245785,1.788745493,11.02639127,1.271952457,1.205663264,0.867069097,2.141749417,3.701529556,2.02114609,26.11628829,0.82334486,0.472403575,0.952730676,0.030035888,0.537447445,0.661324353,0.571421765,27.41203672,34.22909073,71.79908534,0.929096015,1.770193563,25.38916471,0.31766553,0.101842761,0.983745453,0.01230848,0.507984701,0.098568625,0.026557718,25.808673,10.68331703,37.31337863,0.975618179,0.633111044,25.6778432,0.518616341,0.249017488,0.970972963,0.019610777,0.519578257,0.262717636,0.158777926,26.44547702,19.84032565,49.60195589,0.956459445,0.941073819,26.09827558,0.810836841,0.463229533,0.953454243,0.029622487,0.536707116,0.641435464,0.549443333,27.37234195,33.62653891,70.80148638,0.930181365,1.727585912,25.80656655,0.608140917,0.314619322,0.96547761,0.022751823,0.524791828,0.361170391,0.253455202,26.72932679,24.00460639,55.67157796,0.948216415,1.13941742,26.1726849,0.862500494,0.50112505,0.950479003,0.031322297,0.539768811,0.72552601,0.643017293,27.53631044,36.12196228,74.97064637,0.925718505,1.908312114,26.28095032,0.811613256,0.464169017,0.953703427,0.029452449,0.544246315,0.642635241,0.551674264,27.55673259,33.90549627,71.36293899,0.930555141,1.73855582 +UMLKV0108,L,1-HEXADECENE,CCCCCCCCCCCCCCC=C,C16H32,Olefin (alkene) with single C=C double bond,Olefins,629-73-2,3.460360154,PubChem,,2.7227,0,-2.4416,5.96141056,55.4369,49.497376,0,0,48,16,32,0,16,0,0,0,0,0,0,0,0,0,2340.739984,2551.388631,2751.288974,2612.362213,2417.637612,2220.880883,2024.124154,1827.367425,1630.610696,7770.95025,10024.32525,13227.12065,13733.82742,12789.19656,11782.39822,10775.59987,9768.801526,8762.003181,335.639104,340.871964,639.7214,886.285012,836.83704,773.95214,711.06724,648.18234,585.29744,58.85001296,77.46691792,112.3021337,124.4017298,116.2694268,107.2478979,98.22636907,89.20484021,80.18331135,7946.074562,6801.836868,13952.95138,20948.41312,19839.29327,18360.33811,16881.38296,15402.4278,13923.47265,78.25,92,145.25,180,169.75,157.5,145.25,133,120.75,48.76541633,54.28486449,30.56987749,20.5697812,20.1469801,20.00793588,19.84435445,19.6491121,19.4120321,161.8947969,213.283516,146.9680072,108.1403734,106.576638,106.1477317,105.643136,105.0408766,104.3095617,6.992481333,7.252594979,7.108015556,6.978622142,6.973642,6.972541802,6.971247451,6.969702581,6.967826667,1.226041937,1.648232296,1.247801485,0.97954118,0.96891189,0.966197279,0.963003618,0.95919183,0.95456323,165.54322,144.7199334,155.0327932,164.9481348,165.3274439,165.4084515,165.5037545,165.6175033,165.7556268,1.630208333,1.957446809,1.613888889,1.417322835,1.414583333,1.418918919,1.424019608,1.430107527,1.4375,0.087283935,-0.007612276,-0.041830134,0.001676797,0.001215083,9.06E-05,2.89E-06,3.66E-08,-5.23E-09,1291.370763,-53.80711511,-605.330045,-26.90355756,-2.45E-13,-2.45E-13,-1.31E-13,-1.78E-14,2.10E-13,2401.359077,-100.0566282,-1125.637067,-50.0283141,-1.56E-12,-1.11E-12,-6.54E-13,-1.99E-13,1.42E-13,0.252970667,-0.010540444,-0.11858,-0.005270222,-3.62E-16,-3.89E-16,-4.17E-16,-4.17E-16,-4.17E-16,10.73519237,-0.447299682,-5.032121424,-0.223649841,-1.78E-15,-2.66E-15,-3.55E-15,-3.55E-15,-3.55E-15,58.31373534,-2.429738973,-27.33456344,-1.214869486,1.13E-13,1.20E-13,1.20E-13,1.20E-13,1.20E-13,6.953125,-0.282226563,-1.990234375,-0.032226563,0.0390625,0.014648438,-0.009765625,-0.034179688,-0.05859375,0.001818415,-1.62E-04,-4.65E-04,1.32E-05,1.01E-05,8.16E-07,2.83E-08,3.94E-10,-6.22E-11,26.90355756,-1.144832236,-6.725889389,-0.211839036,-2.04E-15,-2.21E-15,-1.29E-15,-1.91E-16,2.50E-15,50.0283141,-2.12886443,-12.50707852,-0.393923733,-1.30E-14,-9.99E-15,-6.41E-15,-2.14E-15,1.69E-15,0.005270222,-2.24E-04,-0.001317556,-4.15E-05,-3.01E-18,-3.51E-18,-4.09E-18,-4.49E-18,-4.97E-18,0.223649841,-0.009517015,-0.05591246,-0.001761022,-1.48E-17,-2.40E-17,-3.48E-17,-3.82E-17,-4.23E-17,1.214869486,-0.051696574,-0.303717372,-0.009565901,9.40E-16,1.08E-15,1.18E-15,1.29E-15,1.43E-15,0.144856771,-0.00600482,-0.022113715,-2.54E-04,3.26E-04,1.32E-04,-9.57E-05,-3.68E-04,-6.98E-04,-0.08906839,-0.255595771,0.007260787,0.005568417,4.49E-04,1.56E-05,2.16E-07,-3.42E-08,-0.042553191,-0.25,-0.007874016,-7.59E-17,-8.21E-17,-4.79E-17,-7.10E-18,9.28E-17,-0.042553191,-0.25,-0.007874016,-2.60E-16,-2.00E-16,-1.28E-16,-4.28E-17,3.38E-17,-0.042553191,-0.25,-0.007874016,-5.72E-16,-6.66E-16,-7.76E-16,-8.51E-16,-9.42E-16,-0.042553191,-0.25,-0.007874016,-6.62E-17,-1.07E-16,-1.56E-16,-1.71E-16,-1.89E-16,-0.042553191,-0.25,-0.007874016,7.74E-16,8.89E-16,9.68E-16,1.06E-15,1.17E-15,-0.041453502,-0.152659176,-0.001751747,0.002247191,9.11E-04,-6.61E-04,-0.002537151,-0.004815409,1.477042944,1.335345955,0.859718054,0.866846247,0.880513347,0.891784272,0.904756469,0.920490341,1.5,1.444270833,0.971456693,0.9546875,0.952702703,0.950367647,0.947580645,0.944196429,1.5,1.444270833,0.971456693,0.9546875,0.952702703,0.950367647,0.947580645,0.944196429,1.5,1.444270833,0.971456693,0.9546875,0.952702703,0.950367647,0.947580645,0.944196429,1.5,1.444270833,0.971456693,0.9546875,0.952702703,0.950367647,0.947580645,0.944196429,1.5,1.444270833,0.971456693,0.9546875,0.952702703,0.950367647,0.947580645,0.944196429,1.438202247,0.966991261,0.725188003,0.739325843,0.768822755,0.803525006,0.84494382,0.895238095,174.7266043,87.36330217,139.2886311,174.7266043,10.92041277,87.36330217,-1.99E-13,0.02127051,0.001329407,-6.160693886,114.8328341,7.177052132,7.589563927,174.7266043,87.36330217,139.2886311,174.7266043,10.92041277,87.36330217,-1.99E-13,0.02127051,0.001329407,-6.160693886,114.8328341,7.177052132,7.589563927,174.7266043,87.36330217,139.2886311,174.7266043,10.92041277,87.36330217,-1.99E-13,0.02127051,0.001329407,-6.160693886,114.8328341,7.177052132,7.589563927,174.7266043,87.36330217,139.2886311,174.7266043,10.92041277,87.36330217,-1.99E-13,0.02127051,0.001329407,-6.160693886,114.8328341,7.177052132,7.589563927,174.7266043,87.36330217,139.2886311,174.7266043,10.92041277,87.36330217,-1.99E-13,0.02127051,0.001329407,-6.160693886,114.8328341,7.177052132,7.589563927,174.7266043,87.36330217,139.2886311,174.7266043,10.92041277,87.36330217,-1.99E-13,0.02127051,0.001329407,-6.160693886,114.8328341,7.177052132,7.589563927,208.0959763,103.6852853,166.5358469,207.6741013,12.97963133,103.6852853,-0.5625,0.04230662,0.002644164,-5.060498722,114.6602673,7.166266706,7.587157694,0,11.79,12.21014203,-0.306948047,0.113393259,5.124041482,7.618587916,15,47,46,46,14,1,1,0,0,1,34.982624,3.549284589,3.476352349,3.353342317,3.182716292,2.970953855,2.727833283,2.465651763,2.198382064,1.95198924,1.891774639,1.796140721,1.671685133,1.526402219,1.36872559,1.207432279,1.051771665,3.576790806,3.504444911,3.383249336,3.215965638,3.009124471,2.772509155,2.518424358,2.260800688,1.893678088,1.831218847,1.731640649,1.601189127,1.447594703,1.279555212,1.106679963,0.939181337,3.697092783,3.62789711,3.514825101,3.362115261,3.176660463,2.968042831,2.748094577,2.529892425,1.720983313,1.652515018,1.541080393,1.391211505,1.209892641,1.006623743,0.793046852,0.581958832,3.597019966,3.525138784,3.405289857,3.240469807,3.037255639,2.805422948,2.557255618,2.306615356,1.856448821,1.792602108,1.690480804,1.556040789,1.396844752,1.221773102,1.040943373,0.865173694,3.755303518,3.687931082,3.578855388,3.433014204,3.257530431,3.061766662,2.857043586,2.655709766,1.666710889,1.596635692,1.481489919,1.325131524,1.134344679,0.918797255,0.690519429,0.462897834,3.734075503,3.544950991,3.448884058,3.29722195,3.100125686,2.87077271,2.624585014,2.377803243,1.866148427,1.782639052,1.651420188,1.483809422,1.294175641,1.098013799,0.908878319,0.734530771,0,0,1,1,0,1,13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.89949494,7.914213562,5.242640687,3.457106781,2.267766953,1.478553391,0.957106781,0.614276695,0.743718434,0.527614237,0.374474335,0.265931291,0.188980579,0.134413945,0.095710678,0.068252966,11.47684521,7.523603362,4.966437566,3.261801681,2.129665392,1.380900841,0.888056001,0.56545042,0.717302825,0.501573557,0.35474554,0.250907822,0.177472116,0.12553644,0.0888056,0.062827824,24.66924486,46.20538966,43.60784314,44.16,28.77687186,368.4520814,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,6.18979,75.622,88.53836828,140.5818027,177.0767366,11.06729603,88.53836828,7.22E-16,4.51E-17,-55.78399743,114.9126073,7.182037958,7.590675045,338,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,14,1,0,2,0,0,0,0,0,0,0,0,1,1,13,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.787564595,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.366413367,0.304889929,0,0,3.028696704,0.290277778,0,0.671303296,0,0,0,0,0,0,0,0,2.28409167,3.749566675,18.42834374,0,2.03799792,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.03799792,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.366413367,0.304889929,0,0,0.202087674,0.290277778,0,0.304889929,0,0,0,0,0,0,0,0,2.28409167,3.749566675,1.205782313,0,2.03799792,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.749566675,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.366413367,0.304889929,0,0,0.290277778,0.290277778,0,0.366413367,0,0,0,0,0,0,0,0,2.28409167,3.749566675,1.468714417,0,2.03799792,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26.5,1.65625,0.366413367,3.749566675,0.202087674,1.205782313,11.6321909,0.294217687,0.749566675,2.143312528,0.294217687,0.749566675,2.143312528,8,0.5,0,0,0.43333,0.7,0.428,0.428,0.7,0.00533,0.00533,0,0,0.71429,0,0,0.125,0,0,8.5,0.53125,7.5,0.46875,1,0.0625,-6.5,-0.40625,0,0,18.82598,1.17662,20.42601,1.60003,0.1,7.34933,0.45933,7.91421,0.56488,0.0353,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,15,0,0,0,0,0,0,0.875,0.918295834,1.654631535,2.418019408,2.919372149,3.236440502,3.309955012,44.07820003,79.42231367,116.0649316,140.1298631,155.3491441,158.8778406,0.164422918,0.296265469,0.432951771,0.522720099,0.579491895,0.592654832,4.666666667,3.930330966,3.166943093,2.665590352,2.348521999,2.275007489,0.164422918,0.296265469,0.432951771,0.522720099,0.579491895,0.592654832,6.73287657,12.27957365,15.29323239,16.82087061,17.51494909,17.46719311,63.19800004,52.27980305,46.10716575,41.5902625,39.36696893,39.77550319,16,15,15.07692308,16,2,16,3.22,2.32,0.066666667,4.631272038,0,0,23.26713828,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,7.651,14,13,12,11,10,9,8,7,6,121,2.833213344,2.772588722,2.708050201,2.63905733,2.564949357,2.48490665,2.397895273,2.302585093,2.197224577,2.079441542,4.882801923,1.082644628,0.466666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13,0.866666667,14,0.933333333,2,8,15,0.875,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.033333333,0.015873016,0.009615385,0.006666667,0.005050505,0.004081633,0.003472222,0.00308642,0.002857143,0.002754821,0.100373307,88.53836828,140.5818027,177.0767366,11.06729603,88.53836828,7.22E-16,4.51E-17,-55.78399743,114.9126073,7.182037958,7.590675045,0,282.655754,5,4.077537444,4.727387819,5.38907173,6.052089169,6.720220155,7.38832786,8.059276223,8.729882285,9.402364704,91.54615739,3.433987204,0,4.465908119,0,5.624017506,0,6.840546529,0,8.089789176,8.434463544,224.250401,4.671883355,30.8284376,1.92677735,0,0,0,680,13,9.078,58,1.238574468,2.148842843,2.875578421,3.619017843,4.955685284,5.979786075,7.300718754,8.413545722,9.71864861,10.87111532,78.6361711,73.26895661,72.42804301,94.77853824,118.644976,141.8241334,164.7348063,186.5515498,207.4091113,226.3885344,290.8039755,337.0537285,344.3724444,457.6691225,583.4047187,706.8258044,831.6142928,952.6847204,1071.846523,1184.913783,9.019358408,15.32052165,20.12507073,25.43919833,34.69059299,41.89289527,51.04651479,58.82947221,67.86785843,75.89210443,2.185980431,2.809749365,3.00687536,3.974735655,5.143496467,6.244226863,7.409979129,8.516053823,9.645511414,10.70974633,176.9752534,329.8202349,470.455174,583.2695945,809.7685259,974.3070194,1197.193115,1379.306654,1599.863606,1791.167612,2.491404255,3.550179692,4.190684588,5.46070391,7.281569426,8.879743894,10.74473333,12.47576704,14.39879035,16.25581126,0.452558777,0.592932844,0.641326256,0.846214055,1.098504355,1.333708075,1.585420527,1.822882488,2.067284791,2.29697495,691.2033982,642.889474,20.7811521,213.3791002,-198.4642695,-14.35824219,477.824298,841.3537435,35.13939429,0.764113168,0.710702976,0.022973197,0.235886832,-0.21939875,-0.015872784,625.2504968,581.5465665,18.79826649,193.0189995,-179.5273047,-12.98821459,0.060885631,0.110343261,1.612257091,3.317460297,904.5824983,0,1,0,951.8734999,30.85244723,9.836933726,1262.495591,35.53161397,10.80794908,1594.398045,39.92991416,11.68240481,4.31161271,4.31161271,7482.111012,7433.698376,95.063515,1.006512591,78.70644181,78.1971756,6.987048794,10.58234902,20.11464616,0.90077327,9.169804386,13.40005252,5.79416803,62.67455171,26.18534902,1.027511686,11.97553419,9.504299675,47.51344932,0.861949531,2.067495317,43.24641221,4.022677728,51.55045396,1.353761283,2.548892579,22.40936208,3.735867118,44.24405837,2.143555204,2.686590412,13.50770507,4.498238557,31.12558374,2.897711896,2.494750303,6.560862832,4.413696539,15.75263384,3.625819614,0.769568848,13.39944397,0.405433796,14.05434793,0.188896213,0.084943939,1.639173201,0.245959647,12.51712972,0.024606088,0.066450681,2.93488552,0.138195099,10.74766688,0.057195801,0.109350382,0.773395306,0.112342269,7.987187243,0.093140727,0.194645484,0.213544924,0.114978624,5.086924874,0.125910303,0.27121311,0.072002902,0.119475806,2.56657555,0.153394571,2.484236008,13.39948582,1.362051282,17.4521444,1.933342454,0.267658594,3.739936617,1.157499041,17.0545657,0.110883006,0.251958542,9.814422731,0.577501185,17.14534734,0.221809129,0.335194486,3.204460855,0.495219778,13.75718192,0.357833649,0.477058996,1.290838329,0.544151531,9.120374504,0.483729369,0.554749224,0.546807373,0.551030126,4.610783578,0.594605616,8.655547985,13.39998613,5.413565326,57.38915442,23.33375286,0.966382656,11.33952739,8.591425841,44.44906238,0.780744172,1.866121177,40.3013716,3.659780648,48.3693992,1.238994457,2.303279054,20.38249155,3.387827242,41.44751367,1.963606667,2.45399714,12.11496744,4.065204517,29.07812957,2.654453156,2.298367987,5.863020163,3.993385522,14.71638267,3.318577555,3.661301259,13.39953901,2.061299232,21.72251483,4.188476895,0.395961713,5.184749265,2.073715382,20.9431661,0.195241584,0.445501752,14.93752711,0.984062091,22.11051964,0.364515953,0.57102699,5.462786778,0.863982959,18.20232234,0.585215437,0.738104013,2.516226164,0.976994897,12.26974354,0.791109973,0.799963933,1.125042298,0.979404692,6.206279202,0.976934673,11.07386437,13.40033143,7.260943949,84.86558513,38.17428855,1.257734603,14.33403966,13.277214,59.90628545,1.196615356,2.902645918,54.69239433,5.508354661,64.10411912,1.818876155,3.56759229,30.71139677,5.167804423,55.25345971,2.871617591,3.638655963,19.32165892,6.288566372,39.22117085,3.881923904,3.290285154,9.485968078,6.148659797,19.84942932,4.870881039,5.626738228,11.61912221,3.354549928,30.54940436,9.566367724,0.553717018,8.005735417,3.889152627,27.22025357,0.358162202,0.851093617,22.59740276,1.726906454,30.34165624,0.606501233,1.074087391,9.765006964,1.565847635,26.15706591,0.96644683,1.252211718,5.232361391,1.837284571,18.56316001,1.306467927,1.284476932,2.459187703,1.818538947,10.10810227,1.624897334,33.85214983,0.826341769,0.482173628,0.96278468,0.023501881,0.540802427,0.673614209,0.583327299,35.16066523,44.69449948,93.34322236,0.94417702,1.797743934,33.12508167,0.319814073,0.103949031,0.987368772,0.009532789,0.51785312,0.101013357,0.027111046,33.54884477,14.07043179,48.7204988,0.981053158,0.645977524,33.41375946,0.521080518,0.254167564,0.977324639,0.015241171,0.526902771,0.26814975,0.162086053,34.18900754,26.03639468,64.65077953,0.965986959,0.957138574,33.83414062,0.813810619,0.472809853,0.963365815,0.023171782,0.540227697,0.653384215,0.560890947,35.1207611,43.91647567,92.05585887,0.945048722,1.75450286,33.54247339,0.610754899,0.321126147,0.972968862,0.01771621,0.530964177,0.368313697,0.258735924,34.47435443,31.45372457,72.5067431,0.959453292,1.158013798,33.90853481,0.865570502,0.511489109,0.960973887,0.024530421,0.542603911,0.738918759,0.656414515,35.28559442,47.13680363,97.43471975,0.94146083,1.937937184,34.05283236,0.81487544,0.473941395,0.963532635,0.023057086,0.547233609,0.65506705,0.563578842,35.34164919,44.27406683,92.76702894,0.945298952,1.765879501 +UMLKV0109,L,1-OCTADECENE,CCCCCCCCCCCCCCCCC=C,C18H36,Olefin (alkene) with single C=C double bond,Olefins,112-88-9,3.578741705,PubChem,,3.5276,0,-3.0176,9.10590976,61.2601,55.684548,0,0,54,18,36,0,18,0,0,0,0,0,0,0,0,0,2633.332482,2888.345225,3138.706048,3005.875671,2811.15107,2614.394341,2417.637612,2220.880883,2024.124154,8742.319031,11330.30552,15054.21487,15747.42411,14802.79325,13795.99491,12789.19656,11782.39822,10775.59987,377.593992,384.423524,725.180416,1012.054812,962.60684,899.72194,836.83704,773.95214,711.06724,66.20626457,87.49889516,127.677514,142.4447876,134.3124845,125.2909557,116.2694268,107.2478979,98.22636907,8939.333882,7667.915771,15801.35578,23906.32343,22797.20358,21318.24842,19839.29327,18360.33811,16881.38296,86.75,102.5,163.75,204.5,194.25,182,169.75,157.5,145.25,48.76541633,54.49707972,30.77162792,20.73017704,20.37065993,20.2666228,20.1469801,20.00793588,19.84435445,161.8947969,213.7793494,147.5903419,108.6029249,107.2666178,106.9456969,106.576638,106.1477317,105.643136,6.992481333,7.253274038,7.109611922,6.979688359,6.975411884,6.974588682,6.973642,6.972541802,6.971247451,1.226041937,1.65092255,1.251740333,0.982377845,0.973278873,0.971247718,0.96891189,0.966197279,0.963003618,165.54322,144.6776561,154.9152528,164.8711961,165.1971274,165.2577397,165.3274439,165.4084515,165.5037545,1.606481481,1.933962264,1.605392157,1.410344828,1.407608696,1.410852713,1.414583333,1.418918919,1.424019608,0.095729041,-0.007612276,-0.046052687,0.001676797,0.001215083,9.06E-05,2.89E-06,3.68E-08,1.46E-10,1452.792108,-53.80711511,-686.0407177,-26.90355756,-5.86E-13,-4.73E-13,-3.59E-13,-2.45E-13,-1.31E-13,2701.528961,-100.0566282,-1275.722009,-50.0283141,2.66E-12,2.21E-12,1.98E-12,1.76E-12,1.76E-12,0.284592,-0.010540444,-0.134390667,-0.005270222,4.12E-16,4.40E-16,4.40E-16,4.68E-16,4.68E-16,12.07709142,-0.447299682,-5.703070947,-0.223649841,-4.91E-15,-4.91E-15,-4.91E-15,-5.80E-15,-4.91E-15,65.60295226,-2.429738973,-30.9791719,-1.214869486,1.95E-13,1.87E-13,1.80E-13,1.73E-13,1.63E-13,7.300925926,-0.253686557,-2.156378601,-0.03026406,0.041152263,0.02186214,0.002572016,-0.016718107,-0.03600823,0.00177276,-1.44E-04,-4.51E-04,1.16E-05,8.80E-06,7.02E-07,2.41E-08,3.31E-10,1.43E-12,26.90355756,-1.015228587,-6.725889389,-0.185541776,-4.25E-15,-3.66E-15,-2.99E-15,-2.21E-15,-1.29E-15,50.0283141,-1.887860909,-12.50707852,-0.345022856,1.93E-14,1.71E-14,1.65E-14,1.58E-14,1.72E-14,0.005270222,-1.99E-04,-0.001317556,-3.63E-05,2.99E-18,3.41E-18,3.66E-18,4.21E-18,4.58E-18,0.223649841,-0.008439617,-0.05591246,-0.001542413,-3.56E-17,-3.81E-17,-4.09E-17,-5.23E-17,-4.82E-17,1.214869486,-0.045844132,-0.303717372,-0.00837841,1.41E-15,1.45E-15,1.50E-15,1.56E-15,1.59E-15,0.135202332,-0.004786539,-0.021140967,-2.09E-04,2.98E-04,1.69E-04,2.14E-05,-1.51E-04,-3.53E-04,-0.081019344,-0.25468587,0.006523228,0.004966804,3.96E-04,1.36E-05,1.87E-07,8.07E-10,-0.037735849,-0.25,-0.006896552,-1.58E-16,-1.36E-16,-1.11E-16,-8.21E-17,-4.79E-17,-0.037735849,-0.25,-0.006896552,3.86E-16,3.42E-16,3.30E-16,3.16E-16,3.44E-16,-0.037735849,-0.25,-0.006896552,5.66E-16,6.47E-16,6.95E-16,7.99E-16,8.70E-16,-0.037735849,-0.25,-0.006896552,-1.59E-16,-1.70E-16,-1.83E-16,-2.34E-16,-2.15E-16,-0.037735849,-0.25,-0.006896552,1.16E-15,1.20E-15,1.24E-15,1.28E-15,1.31E-15,-0.035402783,-0.1563654,-0.001543743,0.002205619,0.001253484,1.59E-04,-0.001113987,-0.002611063,1.479068189,1.348965553,0.870949402,0.876663357,0.887735533,0.896266562,0.905767336,0.916929377,1.5,1.450571895,0.974712644,0.960144928,0.958656331,0.956944444,0.954954955,0.952614379,1.5,1.450571895,0.974712644,0.960144928,0.958656331,0.956944444,0.954954955,0.952614379,1.5,1.450571895,0.974712644,0.960144928,0.958656331,0.956944444,0.954954955,0.952614379,1.5,1.450571895,0.974712644,0.960144928,0.958656331,0.956944444,0.954954955,0.952614379,1.5,1.450571895,0.974712644,0.960144928,0.958656331,0.956944444,0.954954955,0.952614379,1.438173748,0.987485546,0.732193383,0.743031623,0.766734011,0.793991756,0.825669677,0.862937819,221.9330623,110.9665311,176.6837039,221.9330623,12.32961457,110.9665311,-9.95E-14,0.017960488,9.98E-04,-7.235245928,141.4322806,7.857348922,8.913277836,221.9330623,110.9665311,176.6837039,221.9330623,12.32961457,110.9665311,-9.95E-14,0.017960488,9.98E-04,-7.235245928,141.4322806,7.857348922,8.913277836,221.9330623,110.9665311,176.6837039,221.9330623,12.32961457,110.9665311,-9.95E-14,0.017960488,9.98E-04,-7.235245928,141.4322806,7.857348922,8.913277836,221.9330623,110.9665311,176.6837039,221.9330623,12.32961457,110.9665311,-9.95E-14,0.017960488,9.98E-04,-7.235245928,141.4322806,7.857348922,8.913277836,221.9330623,110.9665311,176.6837039,221.9330623,12.32961457,110.9665311,-9.95E-14,0.017960488,9.98E-04,-7.235245928,141.4322806,7.857348922,8.913277836,221.9330623,110.9665311,176.6837039,221.9330623,12.32961457,110.9665311,-9.95E-14,0.017960488,9.98E-04,-7.235245928,141.4322806,7.857348922,8.913277836,260.0299156,129.6343176,207.6812582,259.5834135,14.42130075,129.6343176,-0.574074074,0.036153152,0.002008508,-5.975984067,141.2944739,7.849692992,8.911523123,0,11.79,12.21016396,-0.30694805,0.113422055,5.124099043,7.631528368,17,53,52,52,16,1,1,0,0,1,39.355452,3.553677292,3.494409186,3.394635973,3.255673754,3.081433849,2.878082217,2.653590949,2.417302224,1.955875044,1.906820809,1.828180481,1.724405792,1.601124015,1.464506155,1.320919667,1.176994085,3.581191502,3.522375015,3.423941947,3.287471063,3.116946261,2.918552473,2.700282866,2.471494795,1.897698619,1.846822147,1.765025595,1.656541783,1.526761479,1.381846714,1.228556447,1.074176302,3.701438428,3.64511679,3.552793223,3.427249579,3.272942385,3.096087366,2.904505392,2.707207517,1.725302917,1.669565436,1.578494931,1.455098802,1.303946671,1.131250264,0.94474403,0.753292952,3.601421262,3.54296694,3.445534203,3.310902317,3.143118662,2.948379639,2.734680531,2.511368116,1.860547775,1.80854593,1.724732179,1.613146116,1.479012186,1.328497992,1.168606891,1.007021849,3.759578283,3.704723634,3.615470734,3.495132013,3.348444081,3.181608958,3.002210443,2.81886557,1.671082987,1.614057755,1.520157477,1.391865512,1.233500967,1.051280308,0.853110204,0.648152578,3.747537979,3.561150863,3.485234128,3.363872123,3.203519928,3.012633273,2.801381393,2.581007737,1.863265832,1.796628311,1.690509856,1.552050643,1.390604647,1.216909232,1.041779958,0.874160273,0,0,1,1,0,1,15,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.3137085,8.914213562,5.949747468,3.957106781,2.621320344,1.728553391,1.133883476,0.739276695,0.739650472,0.524365504,0.371859217,0.263807119,0.187237167,0.132965645,0.09449029,0.067206972,12.89105877,8.523603362,5.673544347,3.761801681,2.483218783,1.630900841,1.064832696,0.69045042,0.716169932,0.501388433,0.354596522,0.250786779,0.17737277,0.125453911,0.088736058,0.06276822,27.75290047,51.98106336,49.05882353,49.68,32.37398084,414.5085916,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,6.96999,84.856,112.1621046,177.9851524,224.3242092,12.46245607,112.1621046,1.44E-15,8.02E-17,-61.50933218,141.4961897,7.860899425,8.914091019,434,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,16,1,0,2,0,0,0,0,0,0,0,0,1,1,15,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.801969798,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.36477671,0.303048315,0,0,3.432174975,0.290277778,0,0.667825025,0,0,0,0,0,0,0,0,2.289086847,3.759796531,21.40894335,0,2.042173267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.042173267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.36477671,0.303048315,0,0,0.201636657,0.290277778,0,0.303048315,0,0,0,0,0,0,0,0,2.289086847,3.759796531,1.206380208,0,2.042173267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.759796531,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.36477671,0.303048315,0,0,0.290277778,0.290277778,0,0.36477671,0,0,0,0,0,0,0,0,2.289086847,3.759796531,1.47524702,0,2.042173267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,29.5,1.638888889,0.36477671,3.759796531,0.201636657,1.206380208,13.07542003,0.293619792,0.759796531,2.18211329,0.293619792,0.759796531,2.18211329,9,0.5,0,0,0.43333,0.7,0.42857,0.42857,0.7,0.00476,0.00476,0,0,0.71429,0,0,0.11111,0,0,9.5,0.52778,8.5,0.47222,1,0.05556,-7.5,-0.41667,0,0,22.23204,1.23511,23.88573,1.65369,0.09187,8.34933,0.46385,8.91421,0.56488,0.03138,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,17,0,0,0,0,0,0,0.888888889,0.918295834,1.597056718,2.30339907,2.777699429,3.094557079,3.205061864,49.58797504,86.24106277,124.3835498,149.9957691,167.1060823,173.0733406,0.15956799,0.277513108,0.400250929,0.482667894,0.537726772,0.556928674,4.836591668,4.157830784,3.451488432,2.977188074,2.660330423,2.549825638,0.15956799,0.277513108,0.400250929,0.482667894,0.537726772,0.556928674,6.73287657,11.84550903,14.6506589,16.15570247,16.95636001,17.15900139,71.09775004,59.99393024,53.81814827,49.08958209,46.39495783,45.98908897,18,17,17.06666667,18,2,18,3.44,2.6018,0.058823529,4.705559331,0,0,27.40821233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,8.649,16,15,14,13,12,11,10,9,8,143,2.944438979,2.890371758,2.833213344,2.772588722,2.708050201,2.63905733,2.564949357,2.48490665,2.397895273,2.302585093,5.036952602,1.06993007,0.470588235,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15,0.882352941,16,0.941176471,2,9,17,0.888888889,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.029411765,0.013888889,0.008333333,0.005714286,0.004273504,0.003401361,0.002840909,0.002469136,0.002222222,0.002066116,0.088905447,112.1621046,177.9851524,224.3242092,12.46245607,112.1621046,1.44E-15,8.02E-17,-61.50933218,141.4961897,7.860899425,8.914091019,0,317.2477233,5.169925001,4.204692619,4.859812404,5.525452939,6.192362489,6.863803391,7.535296702,8.209308412,8.883085524,9.558529412,96.83234389,3.555348061,0,4.59511985,0,5.758901774,0,6.980075941,0,8.23350314,8.576405051,252.2817012,4.671883355,34.82842974,1.934912763,0,0,0,969,15,10.216,66,1.239830189,2.150265628,2.875849788,3.619869013,4.956509773,5.980516596,7.301508437,8.414329008,9.71955922,10.87210303,79.04206245,73.77645592,73.04019132,95.87863509,120.2451586,144.0562057,167.8361401,190.8096131,213.3112063,234.6257684,291.860882,338.6461559,346.0489005,460.9916473,588.1671969,713.5615505,840.9257972,965.5711974,1089.66486,1209.908893,9.029546313,15.33400408,20.13035342,25.45301811,34.70754885,41.91438874,51.07460761,58.866719,67.91806742,75.9611281,2.192331489,2.820144613,3.016934179,3.995708207,5.173288596,6.286560182,7.468326797,8.597046225,9.757346405,10.86694281,177.0897,329.7950683,470.2613005,582.835103,809.0899489,973.2291784,1195.674788,1377.109631,1596.805661,1786.778129,2.464669811,3.532608363,4.168948349,5.431162505,7.237595047,8.816430576,10.65592474,12.35187708,14.22619031,16.01260738,0.453813538,0.595013779,0.643303577,0.850376841,1.104406085,1.342098786,1.596978017,1.838932378,2.089440199,2.328126494,754.4945783,781.8190043,22.45395435,234.2295561,-242.7123051,-16.40173197,520.2650222,1024.531309,38.85568632,0.763099182,0.790735229,0.02271003,0.236900818,-0.245480308,-0.016588785,745.9869988,773.0033183,22.20076658,231.5884151,-239.9755138,-16.21678824,0.054650628,0.099043542,1.127981924,4.307748825,988.7241343,0,1,0,1076.036638,32.8029974,10.24728983,1425.406874,37.75456097,11.25415649,1826.421203,42.73664941,12.22363331,4.608186973,4.608186973,10628.59809,10574.13229,107.7751475,1.005150853,98.61826531,98.11290017,7.56339731,11.83718651,22.59906971,0.909158877,10.2854066,15.29708714,6.386833043,72.62030724,30.13504831,1.027542967,13.56416034,9.780354621,56.2422464,0.923573035,2.068307472,52.3448646,4.243754898,63.48052719,1.353897644,2.552973618,28.50615219,3.735889094,57.86656841,2.143556436,2.698762289,18.73826266,4.498238596,45.42835604,2.897711926,2.523929453,10.68073019,4.413696652,29.63584024,3.625819616,0.863193611,15.29639437,0.44966766,16.08113313,0.217028901,0.084974964,1.884291335,0.247904635,14.67503403,0.025040162,0.067262833,3.55961196,0.139752165,13.04693881,0.057196762,0.113428359,0.977351909,0.112342427,10.20910227,0.093140735,0.206690164,0.287009418,0.114978636,7.092866634,0.125910304,0.299004979,0.109874052,0.119475844,4.286984492,0.153394571,2.786468156,15.29644201,1.508470596,20.01455431,2.22403639,0.267689636,4.259263058,1.177761739,20.04378072,0.115405963,0.252770694,11.89753408,0.593726999,20.91983722,0.221819138,0.339273088,4.059675911,0.495221394,17.73673247,0.357833739,0.489129573,1.767033413,0.544151545,12.93142362,0.483729371,0.58282144,0.871327837,0.551030169,8.025470834,0.594605616,9.708585472,15.29701155,5.969202645,66.46776291,26.85308047,0.966413909,12.84589421,8.837386316,52.5951912,0.835649641,1.866933332,48.78509755,3.856756426,59.53631165,1.239115953,2.307359906,25.92339076,3.387846822,54.1706282,1.963607764,2.466161206,16.79988351,4.065204554,42.37871504,2.654453182,2.327461209,9.539631172,3.993385626,27.57607871,3.318577556,4.106735838,15.29650255,2.280763908,24.97352797,4.819128727,0.395992777,5.892320115,2.117726919,24.65446415,0.205065917,0.446313905,18.10232358,1.019306727,27.04337977,0.364537694,0.57510602,6.928850169,0.863986465,23.55752171,0.585215633,0.750192387,3.461864424,0.976994913,17.52925293,0.791109978,0.828229438,1.808627409,0.979404741,11.01813005,0.976934673,12.4211156,15.29740466,7.994626621,98.45612933,43.93352753,1.257766002,16.22724724,13.67981188,70.99727481,1.286487266,2.903458074,66.17586992,5.830774935,79.05690892,1.819075024,3.571674024,39.08796281,5.16783647,72.43476837,2.871619387,3.650856785,26.83354739,6.288566425,57.51774636,3.881923947,3.319783592,15.46655936,6.148659944,37.83891822,4.870881041,6.369599645,13.45568216,3.743649075,35.82774543,11.24138029,0.565536531,9.097471684,4.074765212,32.50050926,0.388733558,0.869901102,27.79370964,1.845995779,37.46043163,0.619469664,1.100381723,12.62565587,1.59920627,33.97090733,0.987031309,1.289039559,7.377715298,1.876416285,26.35023934,1.334293951,1.335851426,4.066139355,1.857271444,17.304863,1.659505465,42.61792582,0.828626292,0.489772558,0.969992965,0.018859709,0.543358049,0.683449463,0.592587176,43.93632467,56.59326285,117.8255792,0.954989447,1.819394688,41.8909988,0.32145914,0.10558724,0.989908646,0.007596266,0.525001891,0.102961643,0.027541414,42.31804518,17.92334139,61.66325016,0.984862969,0.655504948,42.17963643,0.522963663,0.258173178,0.98181744,0.012173051,0.532250953,0.272486576,0.164659046,42.96077327,33.08308315,81.73874809,0.97272616,0.969396575,42.5999217,0.816077722,0.480261212,0.970468124,0.018591053,0.542899422,0.662945624,0.569794664,43.89626063,55.61586756,116.2083358,0.955702186,1.77563971,42.30832567,0.612750952,0.326187011,0.978289078,0.014168548,0.535499727,0.374020958,0.26284316,43.24726363,39.92476454,91.62825252,0.967433617,1.172363844,42.67429436,0.867910082,0.519550043,0.96851101,0.019697583,0.544795259,0.749639657,0.666834595,44.06175449,59.65980455,122.964368,0.952766516,1.961269512,42.85480091,0.817373153,0.481550099,0.970581796,0.018511987,0.549415042,0.665025617,0.572857107,44.15372416,56.0587035,117.0803397,0.955872694,1.787297767 +UMLKV0110,L,1-EICOSENE,CCCCCCCCCCCCCCCCCCC=C,C20H40,Olefin (alkene) with single C=C double bond,Olefins,7/1/3452,3.684580923,PubChem,,4.905,0,-3.5936,12.91396096,67.0833,61.87172,0,0,60,20,40,0,20,0,0,0,0,0,0,0,0,0,2925.92498,3225.301819,3526.123122,3399.389129,3204.664528,3007.907799,2811.15107,2614.394341,2417.637612,9713.687812,12636.28579,16881.30909,17761.0208,16816.38994,15809.5916,14802.79325,13795.99491,12789.19656,419.54888,427.975084,810.639432,1137.824612,1088.37664,1025.49174,962.60684,899.72194,836.83704,73.56251619,97.5308724,143.0528943,160.4878453,152.3555422,143.3340134,134.3124845,125.2909557,116.2694268,9932.593203,8533.994674,17649.76018,26864.23374,25755.11389,24276.15873,22797.20358,21318.24842,19839.29327,95.25,113,182.25,229,218.75,206.5,194.25,182,169.75,48.76541633,54.66613253,30.93090458,20.85514803,20.54272133,20.46195782,20.37065993,20.2666228,20.1469801,161.8947969,214.1743354,148.0816587,108.9633178,107.7973714,107.5482421,107.2666178,106.9456969,106.576638,6.992481333,7.253814983,7.110872211,6.980519092,6.976773333,6.976134286,6.975411884,6.974588682,6.973642,1.226041937,1.653065634,1.25484995,0.984588008,0.976638091,0.975061315,0.973278873,0.971247718,0.96891189,165.54322,144.6439775,154.8224577,164.8112499,165.0968839,165.143937,165.1971274,165.2577397,165.3274439,1.5875,1.915254237,1.598684211,1.404907975,1.40224359,1.404761905,1.407608696,1.410852713,1.414583333,0.104174146,-0.007612276,-0.050275239,0.001676797,0.001215083,9.06E-05,2.89E-06,3.68E-08,1.48E-10,1614.213453,-53.80711511,-766.7513903,-26.90355756,-8.28E-13,-9.41E-13,-8.28E-13,-7.14E-13,-6.00E-13,3001.698846,-100.0566282,-1425.806952,-50.0283141,-1.56E-12,-1.56E-12,-1.33E-12,-8.74E-13,-6.47E-13,0.316213333,-0.010540444,-0.150201333,-0.005270222,1.03E-15,1.08E-15,1.16E-15,1.25E-15,1.30E-15,13.41899046,-0.447299682,-6.374020471,-0.223649841,-5.80E-15,-4.91E-15,-4.91E-15,-5.80E-15,-5.80E-15,72.89216918,-2.429738973,-34.62378036,-1.214869486,8.10E-14,8.82E-14,9.53E-14,1.02E-13,1.02E-13,7.645833333,-0.230902778,-2.322916667,-0.029513889,0.041666667,0.026041667,0.010416667,-0.005208333,-0.020833333,0.001736236,-1.29E-04,-4.41E-04,1.03E-05,7.79E-06,6.16E-07,2.10E-08,2.85E-10,1.23E-12,26.90355756,-0.911985002,-6.725889389,-0.1650525,-5.31E-15,-6.40E-15,-6.00E-15,-5.54E-15,-5.00E-15,50.0283141,-1.695875054,-12.50707852,-0.306922172,-9.97E-15,-1.06E-14,-9.63E-15,-6.77E-15,-5.39E-15,0.005270222,-1.79E-04,-0.001317556,-3.23E-05,6.58E-18,7.36E-18,8.44E-18,9.68E-18,1.09E-17,0.223649841,-0.007581351,-0.05591246,-0.001372085,-3.72E-17,-3.34E-17,-3.56E-17,-4.50E-17,-4.83E-17,1.214869486,-0.041182016,-0.303717372,-0.007453187,5.20E-16,6.00E-16,6.90E-16,7.94E-16,8.53E-16,0.127430556,-0.003913606,-0.020376462,-1.81E-04,2.67E-04,1.77E-04,7.55E-05,-4.04E-05,-1.74E-04,-0.074311124,-0.254004023,0.005924943,0.004486139,3.55E-04,1.21E-05,1.64E-07,7.11E-10,-0.033898305,-0.25,-0.006134969,-1.97E-16,-2.38E-16,-2.23E-16,-2.06E-16,-1.86E-16,-0.033898305,-0.25,-0.006134969,-1.99E-16,-2.12E-16,-1.92E-16,-1.35E-16,-1.08E-16,-0.033898305,-0.25,-0.006134969,1.25E-15,1.40E-15,1.60E-15,1.84E-15,2.06E-15,-0.033898305,-0.25,-0.006134969,-1.66E-16,-1.49E-16,-1.59E-16,-2.01E-16,-2.16E-16,-0.033898305,-0.25,-0.006134969,4.28E-16,4.94E-16,5.68E-16,6.53E-16,7.02E-16,-0.03071168,-0.159902481,-0.001420906,0.002095997,0.001390202,5.92E-04,-3.17E-04,-0.001362398,1.480765072,1.360552219,0.880591975,0.885297961,0.894533631,0.901236159,0.908509806,0.916861162,1.5,1.455592105,0.977300613,0.964423077,0.963265306,0.961956522,0.960465116,0.95875,1.5,1.455592105,0.977300613,0.964423077,0.963265306,0.961956522,0.960465116,0.95875,1.5,1.455592105,0.977300613,0.964423077,0.963265306,0.961956522,0.960465116,0.95875,1.5,1.455592105,0.977300613,0.964423077,0.963265306,0.961956522,0.960465116,0.95875,1.5,1.455592105,0.977300613,0.964423077,0.963265306,0.961956522,0.960465116,0.95875,1.438692098,1.006883694,0.739706792,0.748166003,0.767725074,0.789835328,0.815030733,0.84400545,274.7052556,137.3526278,218.4805439,274.7052556,13.73526278,137.3526278,-2.56E-13,0.015419597,7.71E-04,-8.344232152,170.2238512,8.511192562,10.27422869,274.7052556,137.3526278,218.4805439,274.7052556,13.73526278,137.3526278,-2.56E-13,0.015419597,7.71E-04,-8.344232152,170.2238512,8.511192562,10.27422869,274.7052556,137.3526278,218.4805439,274.7052556,13.73526278,137.3526278,-2.56E-13,0.015419597,7.71E-04,-8.344232152,170.2238512,8.511192562,10.27422869,274.7052556,137.3526278,218.4805439,274.7052556,13.73526278,137.3526278,-2.56E-13,0.015419597,7.71E-04,-8.344232152,170.2238512,8.511192562,10.27422869,274.7052556,137.3526278,218.4805439,274.7052556,13.73526278,137.3526278,-2.56E-13,0.015419597,7.71E-04,-8.344232152,170.2238512,8.511192562,10.27422869,274.7052556,137.3526278,218.4805439,274.7052556,13.73526278,137.3526278,-2.56E-13,0.015419597,7.71E-04,-8.344232152,170.2238512,8.511192562,10.27422869,317.5092245,158.3596661,253.2107699,317.0425578,15.85212789,158.3596661,-0.583333333,0.031319938,0.001565997,-6.927000747,170.1155927,8.505779635,10.27295633,0,11.79,12.21018635,-0.306948052,0.11345161,5.124113272,7.638910653,19,59,58,58,18,1,1,0,0,1,43.72828,3.556957138,3.507807178,3.425213999,3.309910689,3.164352284,2.992572922,2.79991691,2.592782391,1.958755914,1.91804359,1.852325352,1.76469424,1.659173672,1.54034043,1.412993918,1.282067533,3.584474617,3.535689362,3.454124093,3.340734075,3.198054548,3.030145922,2.842374755,2.641165355,1.900680189,1.858457707,1.790148473,1.698706782,1.587977438,1.462442214,1.327038009,1.187084826,3.70467036,3.65793476,3.581141887,3.47620326,3.346134108,3.195134986,3.028543847,2.852653947,1.728513857,1.682261612,1.606463219,1.503200436,1.375596963,1.227884508,1.065370376,0.89427295,3.604702909,3.556212398,3.475419089,3.363444006,3.222890273,3.057839328,2.87366781,2.676806844,1.863588455,1.820432958,1.75047783,1.656547502,1.542351608,1.412314157,1.271463102,1.12535149,3.762753817,3.717232898,3.642885278,3.54201873,3.417913368,3.27484711,3.118070947,2.953670208,1.674336878,1.62702009,1.548982962,1.441907629,1.30867466,1.153446308,0.981588051,0.799465613,3.758542568,3.573569104,3.512124149,3.413011992,3.280509412,3.120262256,2.939169183,2.745081009,1.860348366,1.805997548,1.718636785,1.602968874,1.465271738,1.313006709,1.154209165,0.996584801,0,0,1,1,0,1,17,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.72792206,9.914213562,6.656854249,4.457106781,2.974873734,1.978553391,1.310660172,0.864276695,0.736396103,0.521800714,0.369825236,0.262182752,0.185929608,0.131903559,0.093618584,0.066482823,14.30527233,9.523603362,6.380651128,4.261801681,2.836772173,1.880900841,1.241609391,0.81545042,0.715263617,0.501242282,0.354480618,0.250694217,0.177298261,0.125393389,0.088686385,0.062726955,30.83655608,57.75673707,54.50980392,55.2,35.97108982,460.5651018,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,7.75019,94.09,138.5651145,219.7889339,277.130229,13.85651145,138.5651145,1.67E-16,8.33E-18,-72.66267092,170.2748272,8.513741361,10.27482752,542,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,18,1,0,2,0,0,0,0,0,0,0,0,1,1,17,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.813441446,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363459189,0.301584189,0,0,3.834956622,0.290277778,0,0.665043378,0,0,0,0,0,0,0,0,2.29294658,3.767994866,24.39361197,0,2.04544658,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.04544658,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363459189,0.301584189,0,0,0.201317521,0.290277778,0,0.301584189,0,0,0,0,0,0,0,0,2.29294658,3.767994866,1.206790123,0,2.04544658,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.767994866,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363459189,0.301584189,0,0,0.290277778,0.290277778,0,0.363459189,0,0,0,0,0,0,0,0,2.29294658,3.767994866,1.479839538,0,2.04544658,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,32.5,1.625,0.363459189,3.767994866,0.201317521,1.206790123,14.5192213,0.293209877,0.767994866,2.212776053,0.293209877,0.767994866,2.212776053,10,0.5,0,0,0.43333,0.7,0.42903,0.42903,0.7,0.0043,0.0043,0,0,0.71429,0,0,0.1,0,0,10.5,0.525,9.5,0.475,1,0.05,-8.5,-0.425,0,0,25.74985,1.28749,27.45143,1.70158,0.08508,9.34933,0.46747,9.91421,0.56488,0.02824,-2.10E-04,-1.00E-05,-2.10E-04,-1.00E-05,0,19,0,0,0,0,0,0,0.9,0.918295834,1.548479562,2.205926322,2.654636215,2.96559623,3.09656774,55.09775004,92.90877371,132.3555793,159.2781729,177.9357738,185.7940644,0.155461798,0.262148001,0.373449666,0.449413473,0.502057078,0.524229743,4.988594762,4.358411034,3.700964274,3.252254381,2.941294365,2.810322856,0.155461798,0.262148001,0.373449666,0.449413473,0.502057078,0.524229743,6.73287657,11.47880148,14.10112007,15.56618421,16.41920463,16.76691088,78.99750005,67.7406375,61.57362253,56.70145283,53.68379902,52.74066851,20,19,19.05882353,20,2,20,3.66,2.8836,0.052631579,4.766201995,0,0,31.58949783,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,9.647,18,17,16,15,14,13,12,11,10,165,3.044522438,2.995732274,2.944438979,2.890371758,2.833213344,2.772588722,2.708050201,2.63905733,2.564949357,2.48490665,5.170483995,1.060606061,0.473684211,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17,0.894736842,18,0.947368421,2,10,19,0.9,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.026315789,0.012345679,0.007352941,0.005,0.003703704,0.002915452,0.002403846,0.002057613,0.001818182,0.001652893,0.079648106,138.5651145,219.7889339,277.130229,13.85651145,138.5651145,1.67E-16,8.33E-18,-72.66267092,170.2748272,8.513741361,10.27482752,0,351.8396925,5.321928095,4.317488114,4.976733742,5.645446898,6.315358002,6.989335266,7.663407665,8.339739766,9.015905747,9.693568669,101.9569839,3.663561646,0,4.709530201,0,5.877735782,0,7.102499356,0,8.359134887,8.700680735,280.3130013,4.671883355,38.82842778,1.941421389,0,0,0,1330,17,11.354,74,1.240830508,2.151388879,2.876061221,3.620523758,4.957132347,5.981056546,7.302077744,8.414877309,9.720174498,10.87274214,79.36539963,74.17711327,73.51714124,96.72486344,121.4534597,145.7059983,170.0719853,193.7902575,217.2991084,239.9557433,292.7028245,339.9033354,347.3550964,463.5474357,591.7633538,718.5401455,847.6387422,974.5917313,1101.704276,1226.082199,9.037662101,15.34464811,20.13446938,25.46364871,34.72035226,41.93027521,51.09486057,58.89279175,67.95199241,76.00579047,2.197390807,2.828351388,3.024771419,4.011840939,5.195784693,6.317850026,7.510391395,8.653740906,9.832910588,10.96865818,177.1808693,329.7752,470.1102456,582.5008787,808.577554,972.4325134,1194.58018,1375.571715,1594.739482,1783.937876,2.443372881,3.51873626,4.152012753,5.408438347,7.204389904,8.769633776,10.59189995,12.2651541,14.10956866,15.85524016,0.454813093,0.596656623,0.644844189,0.853578984,1.108862493,1.348300616,1.605310161,1.850167301,2.10441007,2.348283376,818.6042741,935.1156858,24.16085961,225.5182796,-257.616149,-15.0023716,593.0859945,1192.731835,39.16323121,0.784011677,0.895599547,0.023139869,0.215988323,-0.2467298,-0.014368401,854.7231852,976.3753779,25.22689844,235.468722,-268.9828314,-15.66431455,0.049573996,0.089843142,1.31272396,2.701126044,1044.122554,0,1,0,1200.199777,34.64389956,10.62717537,1588.318157,39.85370945,11.66753646,2059.597126,45.38278447,12.72313374,4.879030619,4.879030619,14555.30408,14494.78963,120.4822634,1.004174911,120.8086873,120.3064187,8.118784188,13.06137564,25.08400981,0.920472276,11.40100881,17.19412175,6.979498056,82.56606277,34.08474761,1.027574248,15.15278649,10.05640957,64.97104348,0.985196538,2.069119627,61.44331699,4.464832068,75.41060041,1.354034006,2.557054658,34.60294231,3.735911069,71.48907845,2.143557668,2.710934166,23.96882026,4.498238636,59.73112834,2.897711955,2.553108603,14.80059756,4.413696764,43.51904664,3.625819617,0.956818374,17.19334478,0.493901525,18.10791833,0.245161589,0.08500599,2.129409469,0.249849624,16.83293834,0.025474236,0.068074986,4.1843384,0.141309231,15.34621073,0.057197723,0.117506335,1.181308513,0.112342586,12.4310173,0.093140744,0.218734843,0.360473911,0.114978648,9.098808393,0.125910304,0.326796848,0.147745203,0.119475881,6.007393434,0.153394571,3.088700305,17.1933982,1.654889909,22.57696422,2.514730325,0.267720678,4.778589499,1.198024436,23.03299574,0.11992892,0.253582847,13.98064543,0.609952814,24.69432711,0.221829148,0.34335169,4.914890968,0.49522301,21.71628303,0.35783383,0.501200149,2.243228498,0.54415156,16.74247274,0.483729373,0.610893656,1.195848301,0.551030212,11.44015809,0.594605616,10.76162296,17.19403698,6.524839963,75.54637141,30.37240808,0.966445162,14.35226104,9.083346792,60.74132001,0.890555111,1.867745487,57.26882349,4.053732205,70.70322409,1.239237449,2.311440758,31.46428996,3.387866402,66.89374272,1.963608862,2.478325273,21.48479959,4.06520459,55.6793005,2.654453208,2.35655443,13.21624218,3.993385731,40.43577475,3.318577557,4.552170417,17.1934661,2.500228584,28.22454111,5.44978056,0.396023842,6.599890966,2.161738456,28.36576221,0.214890249,0.447126058,21.26712006,1.054551363,31.97623991,0.364559435,0.579185051,8.394913561,0.863989972,28.91272108,0.58521583,0.762280761,4.407502685,0.97699493,22.78876232,0.791109983,0.856494943,2.49221252,0.979404791,15.82998089,0.976934674,13.76836684,17.19447788,8.728309294,112.0466735,49.69276651,1.257797401,18.12045482,14.08240975,82.08826418,1.376359176,2.904270229,77.65934552,6.15319521,94.00969872,1.819273892,3.575755758,47.46452885,5.167868518,89.61607703,2.871621184,3.663057607,34.34543585,6.288566477,75.81432187,3.88192399,3.34928203,21.44715065,6.148660091,55.82840712,4.870881043,7.112661865,15.30304501,4.131021442,41.14992626,12.93088086,0.575271667,10.19068819,4.249260253,37.83964238,0.41874382,0.885526767,33.06680165,1.961407647,44.68717081,0.630155783,1.122748437,15.54060725,1.626668277,41.93539606,1.003976209,1.321500375,9.573196977,1.908628873,34.32119863,1.357199877,1.383213238,5.717204787,1.88915541,24.7032599,1.68799431,52.4139182,0.83042378,0.495851703,0.975320605,0.015452564,0.545330392,0.691491786,0.599995088,53.74019368,69.92706167,145.2495796,0.962980907,1.836817267,51.6871646,0.322759164,0.106897808,0.991755887,0.006192994,0.530327792,0.104550901,0.027885708,52.11682157,22.24225286,76.14239775,0.98763383,0.6627644,51.97574546,0.524449152,0.26137767,0.985106076,0.009939983,0.536258779,0.276028309,0.166717443,52.76157228,40.98101418,100.8673851,0.977659115,0.979004531,52.39591958,0.817861679,0.4862223,0.975715384,0.015230198,0.544956189,0.670763697,0.576917648,53.70000356,68.72634188,143.2622424,0.963573076,1.792637534,52.10440423,0.614324276,0.330235703,0.982194563,0.011580326,0.538914158,0.378683917,0.266128953,53.04896421,49.41860675,113.0380857,0.973291845,1.183727028,52.4702691,0.869750321,0.525998791,0.974088504,0.016146549,0.546502837,0.758407279,0.675170672,53.86601821,73.69281914,151.5633358,0.961132756,1.980080789,52.68710744,0.81934563,0.487642237,0.975793874,0.015174727,0.551029971,0.673175564,0.580292166,53.9940953,69.26095772,144.306057,0.963690811,1.804497701 +UMLKV0111,L,PROPADIENE,C=C=C,C3H4,Diolefin - has two C=C double bonds,,463-49-0,1.777358532,PubChem,,0.228,0,1.2424,1.54355776,14.2575,7.947172,0,0,7,3,4,0,3,0,0,0,0,0,0,0,0,0,436.856619,336.956594,194.724601,48.428352,4.064256,0,0,0,0,1394.885683,1305.980269,944.6308561,458.9464655,124.3349777,0,0,0,0,49.495404,43.55156,49.447972,28.470528,26.873856,0,0,0,0,10.14515162,10.03197724,8.13230305,4.45417724,1.778451619,0,0,0,0,1120.053676,866.078903,1109.119851,612.4901909,739.6706081,0,0,0,0,28.25,27,21,12,4,0,0,0,0,62.40808843,56.15943233,27.81780014,12.107088,1.016064,0,0,0,0,199.2693833,217.6633782,134.9472652,114.7366164,31.08374443,0,0,0,0,7.070772,7.258593333,7.063996,7.117632,6.718464,0,0,0,0,1.449307374,1.671996207,1.161757579,1.11354431,0.444612905,0,0,0,0,160.0076681,144.3464838,158.445693,153.1225477,184.917652,0,0,0,0,4.035714286,4.5,3,3,1,0,0,0,0,0.029547528,-0.01372141,0.007051361,-0.019793594,0.011689879,0,0,0,0,207.5417297,-39.53175804,-34.59028829,-118.5952741,88.94645559,0,0,0,0,385.9327088,-73.51099214,-64.32211813,-220.5329764,165.3997323,0,0,0,0,0.040656,-0.007744,-0.006776,-0.023232,0.017424,0,0,0,0,1.725298774,-0.328628338,-0.287549796,-0.985885014,0.73941376,0,0,0,0,9.371850323,-1.785114347,-1.561975054,-5.355343042,4.016507281,0,0,0,0,5.928571429,-2.081632653,0.464285714,-3.816326531,2.469387755,0,0,0,0,0.004221075,-0.002286902,0.001007337,-0.004948398,0.00292247,0,0,0,0,29.64881853,-6.58862634,-4.941469755,-29.64881853,22.2366139,0,0,0,0,55.13324411,-12.25183202,-9.188874018,-55.13324411,41.34993308,0,0,0,0,0.005808,-0.001290667,-9.68E-04,-0.005808,0.004356,0,0,0,0,0.246471253,-0.05477139,-0.041078542,-0.246471253,0.18485344,0,0,0,0,1.33883576,-0.297519058,-0.223139293,-1.33883576,1.00412682,0,0,0,0,0.846938776,-0.346938776,0.066326531,-0.954081633,0.617346939,0,0,0,0,-0.541781777,0.238644701,-1.172307522,0.692351961,0,0,0,0,-0.222222222,-0.166666667,-1,0.75,0,0,0,0,-0.222222222,-0.166666667,-1,0.75,0,0,0,0,-0.222222222,-0.166666667,-1,0.75,0,0,0,0,-0.222222222,-0.166666667,-1,0.75,0,0,0,0,-0.222222222,-0.166666667,-1,0.75,0,0,0,0,-0.409638554,0.078313253,-1.126506024,0.728915663,0,0,0,0,1.550138133,0.441445553,2.152263083,0,0,0,0,0,1.166666667,1,1.75,0,0,0,0,0,1.166666667,1,1.75,0,0,0,0,0,1.166666667,1,1.75,0,0,0,0,0,1.166666667,1,1.75,0,0,0,0,0,1.166666667,1,1.75,0,0,0,0,0,1.391566265,0.65060241,2.024096386,0,0,0,0,0,2.732050808,1.366025404,2.366025404,2.732050808,0.910683603,1.788605322,4.44E-16,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,2.732050808,1.366025404,2.366025404,2.732050808,0.910683603,1.788605322,4.44E-16,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,2.732050808,1.366025404,2.366025404,2.732050808,0.910683603,1.788605322,4.44E-16,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,2.732050808,1.366025404,2.366025404,2.732050808,0.910683603,1.788605322,4.44E-16,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,2.732050808,1.366025404,2.366025404,2.732050808,0.910683603,1.788605322,4.44E-16,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,2.732050808,1.366025404,2.366025404,2.732050808,0.910683603,1.788605322,4.44E-16,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,2.983855023,1.4808164,2.495631215,2.976447616,0.992149205,1.85202616,-0.022222222,1.11E-16,3.70E-17,-11.02104017,2000000,666666.6667,4.352597322,0,11.79,12.21000952,-0.274370147,0.149674375,4.326991613,4.973506766,2,6,4,4,0,2,2,0,0,2,4.372828,3.331488302,2.028500884,0.408210424,0.083923071,0.083923071,0.944577813,1.655775656,0,1.655775656,0.944577813,0.083923071,0.083923071,0.408210424,2.028500884,3.331488302,0,3.350863616,2.095899225,0.523500973,0.270913902,0.270913902,0.824985323,1.603450686,0,1.603450686,0.824985323,0.270913902,0.270913902,0.523500973,2.095899225,3.350863616,0,3.440301156,2.386450742,0.96261664,0.943918427,0.943918427,0.442532316,1.458999369,0,1.458999369,0.442532316,0.943918427,0.943918427,0.96261664,2.386450742,3.440301156,0,3.365362332,2.145396886,0.604867954,0.399277246,0.399277246,0.746119641,1.57095304,0,1.57095304,0.746119641,0.399277246,0.399277246,0.604867954,2.145396886,3.365362332,0,3.486411701,2.521841838,1.207644823,1.207644823,1.138208825,0.314197015,1.416975703,0,1.416975703,0.314197015,1.138208825,1.207644823,1.207644823,2.521841838,3.486411701,0,3.348469094,2.163471964,0.534932485,0.352941176,0.352941176,0.751707258,1.589283932,0,1.589283932,0.751707258,0.352941176,0.352941176,0.534932485,2.163471964,3.348469094,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.707106781,1.414213562,0.707106781,0,0,0,0,0,0.902368927,0.707106781,0.707106781,0,0,0,0,0,1.914213562,0.707106781,0.25,0,0,0,0,0,0.638071187,0.353553391,0.25,0,0,0,0,0,4.083655608,6.775673707,6.450980392,6.52,4.597108982,52.79920479,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,0.88349,14.497,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,6,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.025,0,0,0,0,0,0,1.025,0,0,0,0,0,0,0,0,0,6.25,0,0,0,0,0,2.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0,0,0,0,0,0,0.5125,0,0,0,0,0,0,0,0,0,3.125,0,0,0,0,0,2.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0,0,0,0,0,0,0.5125,0,0,0,0,0,0,0,0,0,3.125,0,0,0,0,0,2.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.5,2.833333333,0.5125,3.125,0.375,2.25,2.73675,0.25,0.125,0.5,0.25,0.125,0.5,1.5,0.5,0,0,0.47143,0.7,0.40909,0.40909,0.7,0.06234,0.06234,0,0,0.71429,0,0,0.66667,0,0,3,1,1,0.33333,2,0.66667,1,0.33333,0,0,0.63807,0.21269,1.91421,1.27614,0.42538,0.47141,0.15714,1.41421,0.94281,0.31427,0,0,0,0,0,2,0,0,0,0,0,0,0,0.985228136,1.378783493,1.378783493,0.97773279,0.46134567,0,6.896596952,9.651484454,9.651484454,6.844129532,3.229419688,0,0.350945343,0.49113259,0.49113259,0.348275447,0.164334643,0,1.822126786,1.428571429,1.428571429,1.829622132,2.346009252,2.807354922,0.328409379,0.459594498,0.459594498,0.32591093,0.15378189,0,6.75154531,11.4742096,11.4742096,6.661601161,0.464955714,0,11.27526707,10.44833234,10.44833234,8.042028126,1.845382679,0,3,2,0,3,3,3,1.79,0.4453,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.109,0.112,0.107,0.158,0.618,1,0,0,0,0,0,0,0,0,6,1.609437912,1.609437912,0,0,0,0,0,0,0,0,2.48490665,1.833333333,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,2,1,0.5,0,0,0,0,0,0,0,0,0,0.25,0,0,0,0,0,0,0,0,0,0.25,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,0,55.17149518,2.584962501,1.945910149,2.197224577,2.564949357,2.833213344,3.218875825,3.496507561,3.891820298,4.17438727,4.574710979,33.89759936,1.609437912,0,2.197224577,0,2.833213344,0,3.496507561,0,4.17438727,4.852030264,40.03130013,5.718757161,4.914213562,1.638071187,0,0,0,4,0,3.335,6,1.179666667,2.084055258,2.939714459,3.465976343,0,0,0,0,0,0,73.18031252,62.90926986,35.59138165,3.521653787,0,0,0,0,0,0,272.9640423,295.6900923,337.2928902,107.7355228,0,0,0,0,0,0,8.584898519,14.75594944,20.92380571,23.28603728,0,0,0,0,0,0,2.06026129,2.510462149,3.273502309,1.54101781,0,0,0,0,0,0,168.8999681,327.7295935,450.1365676,640.9202073,0,0,0,0,0,0,5.5445,6.543198676,8.819143378,3.465976343,0,0,0,0,0,0,0.4268475,0.531891393,0.70553147,0.354915977,0,0,0,0,0,0,148.6380423,32.14141456,8.035353641,165.1997661,-35.72271328,-10.90535237,-16.5617238,67.86412785,18.94070601,0.473614199,0.102414093,0.025603523,0.526385801,-0.113825397,-0.03474837,46.64823745,10.08719111,2.521797777,51.84593255,-11.21113805,-3.422511889,0.25,0.423306204,12.07863835,27.47681273,313.8378084,0,1,0,161.1126619,12.69301627,5.441390463,200.7100554,14.16721763,5.854948018,187.9647723,13.71002452,5.728296479,1.705701966,1.705701966,51.08744007,43.86410933,7.223330734,1.164675194,7.072560007,6.072560007,1.992722741,2.114664749,4.222739869,0.996883842,1.442258907,0.140331411,1.916203568,1.392240022,9.65E-05,0.207595067,0.007026702,4.59E-04,5.79E-27,1.41E-71,6.63E-138,6.01E-226,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.121060211,0.140330837,0.096120122,0.144995644,8.10E-06,0.006529859,4.95E-05,3.23E-06,4.08E-29,9.94E-74,4.67E-140,4.23E-228,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.390745032,0.140330937,0.352839902,0.395010936,2.61E-05,0.028256332,5.16E-04,3.37E-05,4.25E-28,1.04E-72,4.86E-139,4.41E-227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.36137607,0.14033137,1.764167615,1.314266529,9.11E-05,0.188452913,0.006260665,4.09E-04,5.16E-27,1.26E-71,5.91E-138,5.35E-226,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.575875207,0.14033101,0.563155902,0.567996674,3.85E-05,0.048905964,0.001120213,7.31E-05,9.23E-28,2.25E-72,1.06E-138,9.58E-227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.741731648,0.140331571,2.525235861,1.682777985,1.17E-04,0.286228302,0.010247784,6.69E-04,8.45E-27,2.06E-71,9.67E-138,8.76E-226,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.538988751,0.131105093,0.439442315,0.537000055,3.61E-05,0.042281988,8.75E-04,5.71E-05,7.21E-28,1.76E-72,8.26E-139,7.48E-227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.039781857,0.492953204,0,0.805367244,0.194632756,0.620537109,0.586922588,0,2.532735061,1.005517002,3.538252063,0.708050867,1.207459696,1.095610467,0.235376877,6.91E-34,0.823156187,0.176843813,0.179024576,0.133812606,0.011593975,1.330987343,0.25788137,1.588868713,0.73473428,0.324431156,1.425970981,0.325501455,1.86E-33,0.814155537,0.185844463,0.303264576,0.255902957,0.110748961,1.751472436,0.464155629,2.215628065,0.721233305,0.669916494,2.011325941,0.485190238,0,0.805653077,0.194346923,0.603344306,0.568582574,0,2.496516179,0.975875712,3.472391891,0.708479615,1.171926879,1.59052558,0.37039306,2.47E-33,0.811112479,0.188887521,0.377295499,0.331356212,0.213323556,1.96091864,0.589119636,2.550038276,0.716668719,0.921975267,2.130947686,0.517823858,4.51E-33,0.804504145,0.195495855,0.677245121,0.647639826,0.872957197,2.648771544,1.103455551,3.752227095,0.706756218,2.197842144,2.001085206,0.48042459,0,0.80639827,0.19360173,0.59721605,0.557467936,0,2.481509796,0.96137054,3.442880336,0.709597405,1.154683986 +UMLKV0112,L,"1,2-BUTADIENE",CC=C=C,C4H6,Diolefin - has two C=C double bonds,,590-19-2,2.063225818,PubChem,,0.2755,0,1.4422,2.07994084,20.1614,11.040758,0,0,10,4,6,0,4,0,0,0,0,0,0,0,0,0,583.152868,505.434891,377.342114,219.954841,62.567568,6.096384,0,0,0,1880.570074,1958.970403,1774.525096,1205.187833,635.8505707,186.5024666,0,0,0,70.472848,65.32734,91.778312,70.4017,49.025088,40.310784,0,0,0,13.82327743,15.04796586,15.15106179,10.80400457,6.45694736,2.667677429,0,0,0,1616.683337,1299.118355,2065.117154,1600.282598,1135.448043,1109.505912,0,0,0,29.25,30.5,30.5,23.5,15,6,0,0,0,58.3152868,56.15943233,29.02631646,21.9954841,8.938224,1.016064,0,0,0,188.0570074,217.6633782,136.5019304,120.5187833,90.83579582,31.08374443,0,0,0,7.0472848,7.258593333,7.059870154,7.04017,7.003584,6.718464,0,0,0,1.382327743,1.671996207,1.165466291,1.080400457,0.922421051,0.444612905,0,0,0,161.6683337,144.3464838,158.8551657,160.0282598,162.2068632,184.917652,0,0,0,2.925,3.388888889,2.346153846,2.35,2.142857143,1,0,0,0,0.029114156,-0.009404305,-3.18E-04,-0.007456796,-0.006200512,0.008823001,0,0,0,290.5584216,-43.58376324,-38.74112288,-72.6396054,-106.5380879,116.2233686,0,0,0,540.3057923,-81.04586884,-72.0407723,-135.0764481,-198.1121238,216.1223169,0,0,0,0.0569184,-0.00853776,-0.00758912,-0.0142296,-0.02087008,0.02276736,0,0,0,2.415418284,-0.362312743,-0.322055771,-0.603854571,-0.885653371,0.966167313,0,0,0,13.12059045,-1.968088568,-1.74941206,-3.280147613,-4.810883166,5.248236181,0,0,0,5.225,-0.5775,-0.2675,-1.3,-2.2825,1.815,0,0,0,0.002911416,-0.001044923,-2.45E-05,-7.46E-04,-8.86E-04,0.0014705,0,0,0,29.05584216,-4.84264036,-2.980086375,-7.26396054,-15.21972685,19.37056144,0,0,0,54.03057923,-9.005096538,-5.541597869,-13.50764481,-28.30173198,36.02038615,0,0,0,0.00569184,-9.49E-04,-5.84E-04,-0.00142296,-0.00298144,0.00379456,0,0,0,0.241541828,-0.040256971,-0.024773521,-0.060385457,-0.12652191,0.161027886,0,0,0,1.312059045,-0.218676508,-0.134570158,-0.328014761,-0.687269024,0.87470603,0,0,0,0.5225,-0.064166667,-0.020576923,-0.13,-0.326071429,0.3025,0,0,0,-0.358905385,-0.008414251,-0.256122702,-0.304246286,0.505080793,0,0,0,-0.166666667,-0.102564103,-0.25,-0.523809524,0.666666667,0,0,0,-0.166666667,-0.102564103,-0.25,-0.523809524,0.666666667,0,0,0,-0.166666667,-0.102564103,-0.25,-0.523809524,0.666666667,0,0,0,-0.166666667,-0.102564103,-0.25,-0.523809524,0.666666667,0,0,0,-0.166666667,-0.102564103,-0.25,-0.523809524,0.666666667,0,0,0,-0.122807018,-0.039381671,-0.248803828,-0.62406015,0.578947368,0,0,0,1.453214225,0.800688311,1.123626181,1.372321471,0.111601971,0,0,0,1.25,1.009615385,1.125,1.339285714,0,0,0,0,1.25,1.009615385,1.125,1.339285714,0,0,0,0,1.25,1.009615385,1.125,1.339285714,0,0,0,0,1.25,1.009615385,1.125,1.339285714,0,0,0,0,1.25,1.009615385,1.125,1.339285714,0,0,0,0,1.196172249,0.794994479,1.184210526,1.722488038,0,0,0,0,6.802621755,3.401310878,5.677819797,6.802621755,1.700655439,3.474414903,0,0.189080754,0.047270189,-0.666232433,37.37145087,9.342862716,1.448362827,6.802621755,3.401310878,5.677819797,6.802621755,1.700655439,3.474414903,0,0.189080754,0.047270189,-0.666232433,37.37145087,9.342862716,1.448362827,6.802621755,3.401310878,5.677819797,6.802621755,1.700655439,3.474414903,0,0.189080754,0.047270189,-0.666232433,37.37145087,9.342862716,1.448362827,6.802621755,3.401310878,5.677819797,6.802621755,1.700655439,3.474414903,0,0.189080754,0.047270189,-0.666232433,37.37145087,9.342862716,1.448362827,6.802621755,3.401310878,5.677819797,6.802621755,1.700655439,3.474414903,0,0.189080754,0.047270189,-0.666232433,37.37145087,9.342862716,1.448362827,6.802621755,3.401310878,5.677819797,6.802621755,1.700655439,3.474414903,0,0.189080754,0.047270189,-0.666232433,37.37145087,9.342862716,1.448362827,8.091387637,3.987360485,6.962030816,8.033054304,2.008263576,4.028358376,-0.116666667,0.265672299,0.066418075,-0.530196675,9.385346728,2.346336682,0.895659846,0,11.79,12.21001914,-0.272868428,0.151595332,4.667432636,5.66201897,3,9,7,7,1,2,2,0,0,2,6.559242,3.434336589,2.555365443,1.581819439,0.333721331,0.083923071,0.083923071,0.083923071,0.626567602,1.74731121,1.27959478,0.626567602,0.083923071,0.083923071,0.083923071,0.333721331,1.581819439,3.452285434,2.6079836,1.663213941,0.463622024,0.270913902,0.270913902,0.270913902,0.496190889,1.694977059,1.183195346,0.496190889,0.270913902,0.270913902,0.270913902,0.463622024,1.663213941,3.536315726,2.835092478,2.004732913,0.957943529,0.943918427,0.943918427,0.943918427,0.069019052,1.554141962,0.879168352,0.069019052,0.943918427,0.943918427,0.943918427,0.957943529,2.004732913,3.465773696,2.64660111,1.722458085,0.555281126,0.399277246,0.399277246,0.399277246,0.409491973,1.662816048,1.119974259,0.409491973,0.399277246,0.399277246,0.399277246,0.555281126,1.722458085,3.580443222,2.941700721,2.159130197,1.207644823,1.207644823,1.207644823,1.155494442,0.078829701,1.514206099,0.778457714,0.078829701,1.155494442,1.207644823,1.207644823,1.207644823,2.159130197,3.487655957,2.650119056,1.717505137,0.583699821,0.421052632,0.421052632,0.421052632,0.41085766,1.686634324,1.078330093,0.41085766,0.421052632,0.421052632,0.421052632,0.583699821,1.717505137,0,0,1,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,2.78445705,1.219578794,0.49279928,0.204124145,0,0,0,0,0.696114263,0.406526265,0.24639964,0.204124145,0,0,0,0,5.625483411,9.663510561,9.176470588,9.28,6.395663473,75.82745988,0.562548341,0.966351056,0.917647059,0.928,0.639566347,7.582745988,1.27359,19.114,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,1,0,2,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.618055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.496875,0.45,0,0,0,0.333680556,0,0.946875,0,0,0,0,0,0,0,0,1.881944444,3.298611111,0,0,1.763888889,0,0,2.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.763888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.496875,0.45,0,0,0,0.333680556,0,0.45,0,0,0,0,0,0,0,0,1.881944444,3.298611111,0,0,1.763888889,0,0,2.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.298611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.496875,0.45,0,0,0,0.333680556,0,0.496875,0,0,0,0,0,0,0,0,1.881944444,3.298611111,0,0,1.763888889,0,0,2.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.5,2.375,0.496875,3.298611111,0.319444444,1.763888889,3.206847222,0.236111111,0.298611111,0.708333333,0.236111111,0.298611111,0.708333333,2,0.5,0,0,0.46,0.7,0.41429,0.41429,0.7,0.04571,0.04571,0,0,0.71429,0,0,0.5,0,0,3.5,0.875,1.5,0.375,2,0.5,0.5,0.125,0,0,1.48074,0.37019,2.95465,1.47391,0.36848,0.93983,0.23496,1.91421,0.97438,0.2436,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3,0,0,0,0,0,0,0.333333333,0.970950594,2.370950594,2.646439345,2.646439345,1.982053726,0.985475297,9.709505945,23.70950594,26.46439345,26.46439345,19.82053726,9.854752972,0.292285253,0.713727247,0.796657624,0.796657624,0.596657624,0.296657624,2.3509775,0.9509775,0.67548875,0.67548875,1.339874369,2.336452798,0.280667665,0.685358422,0.76499253,0.76499253,0.572942016,0.284866246,6.79089428,16.9955893,17.27323376,17.27323376,9.30060633,0.993186673,15.34358585,11.0991655,10.79686051,10.79686051,6.810546796,2.492040273,4,3,4,4,3,4,1.9,0.5862,0.333333333,2.828427125,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,1.164,2,1,0,0,0,0,0,0,0,10,1.791759469,1.945910149,1.609437912,0,0,0,0,0,0,0,2.995732274,1.9,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.333333333,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,0,72.4674798,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,54.04695019,5.404695019,6.871320344,1.717830086,0,0,0,10,1,3.529,10,1.180806229,2.083147674,3.068765259,4.075812565,4.642837627,0,0,0,0,0,74.36102641,70.57473251,76.0743695,36.94635111,4.71742017,0,0,0,0,0,275.8212528,313.054279,395.4518199,374.1202365,144.3167782,0,0,0,0,0,8.596743472,14.77110892,21.66716437,28.56386032,31.19273745,0,0,0,0,0,2.07632326,2.602488727,3.475189946,3.790726219,2.064265524,0,0,0,0,0,168.8419886,326.3008434,486.5257564,659.6460329,858.5426327,0,0,0,0,0,4.160555164,5.220420929,7.543570543,8.776911249,4.642837627,0,0,0,0,0,0.429968598,0.549511394,0.740385744,0.824356907,0.475426573,0,0,0,0,0,229.2729083,56.6843789,9.037541627,137.0217744,-33.87663303,-8.019075761,92.25113385,90.56101193,17.05661739,0.625924752,0.154750756,0.024672871,0.374075248,-0.092484643,-0.021892417,83.98144718,20.76318658,3.310403443,50.19034738,-12.40883055,-2.937344811,0.232602846,0.369197562,9.632659417,9.706599925,366.2946827,0,1,0,235.3209026,15.34017283,6.173813439,295.9852692,17.20422242,6.664333147,291.2110366,17.06490658,6.628306922,1.688094473,1.512984018,127.6857215,116.0941839,14.79066857,1.09984598,8.63285665,7.849150521,2.647835921,3.29809861,5.406901986,0.639399735,2.699189364,1.031140058,2.550304017,1.484055938,1.34447225,0.291656199,2.698266173,1.283937303,0.968706564,0.420326279,5.28E-16,1.28E-52,5.99E-111,5.41E-191,9.41E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.226764449,1.029522166,0.200432701,1.280278406,0.013892049,0.164630325,0.090070262,0.107608577,0.006822685,0.002960392,3.72E-18,9.03E-55,4.22E-113,3.81E-193,6.63E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.731439084,1.029630316,0.655980407,1.293944848,0.110039585,0.188105609,0.380617161,0.347468084,0.071097595,0.030849571,3.88E-17,9.41E-54,4.40E-112,3.97E-192,6.91E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.547829282,1.030962442,2.397916861,1.461700505,1.20094589,0.283011832,2.45303878,1.211833351,0.863100113,0.374503147,4.71E-16,1.14E-52,5.34E-111,4.82E-191,8.38E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.0778824,1.029770503,0.975858718,1.311619099,0.22813726,0.204949122,0.651876243,0.512199612,0.154433464,0.06700939,8.43E-17,2.04E-53,9.56E-112,8.62E-192,1.50E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.259607618,1.031886903,3.124209921,1.578046404,1.946360669,0.324647871,3.703374687,1.551007915,1.412767466,0.613006375,7.71E-16,1.87E-52,8.74E-111,7.89E-191,1.37E-292,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.13341486,0.74400833,1.042989409,1.238030485,0.253645586,0.218828567,0.649968172,0.527817965,0.171737477,0.074517678,9.37E-17,2.27E-53,1.06E-111,9.59E-192,1.67E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.267056953,0.708128928,0.158707424,0.790309936,0.171298308,0.612455751,0.398733948,0.200059752,4.133893304,2.944389048,7.445451587,0.685464904,1.21124945,2.158195917,0.253795539,0.029576412,0.883938532,0.103947772,0.267266543,0.050448587,0.006948779,2.441567869,0.61907855,3.076846617,0.825907798,0.324663909,2.560490339,0.418707377,0.076432403,0.837958208,0.137028161,0.37617659,0.138231199,0.046403315,3.055630119,1.299803436,4.437376444,0.756937312,0.560811103,3.235414982,0.695172354,0.155023322,0.791904871,0.170151395,0.600647814,0.384155817,0.190879955,4.085610657,2.858503754,7.292788378,0.687857307,1.175683585,2.754977988,0.498396441,0.099081307,0.821779079,0.148666076,0.435493827,0.196379697,0.077977268,3.352455735,1.695419812,5.183921238,0.732668619,0.709850792,3.367730049,0.749349669,0.170428683,0.785474857,0.174775091,0.650789491,0.446937106,0.230699968,4.287508401,3.225275871,7.942879356,0.678212286,1.328426566,3.235850305,0.690319423,0.153904817,0.793086075,0.169192846,0.600813325,0.37904309,0.188135498,4.080074546,2.838026751,7.261889309,0.689629112,1.167991913 +UMLKV0113,L,"1,3-BUTADIENE",C=CC=C,C4H6,Diolefin - has two C=C double bonds,dienes,106-99-0,2.063225818,PubChem,,0.2033,0,1.415,2.002225,20.2944,11.040758,0,0,10,4,6,0,4,0,0,0,0,0,0,0,0,0,583.152868,505.434891,387.417074,221.986969,52.492608,4.064256,0,0,0,1880.570074,1958.970403,1827.094223,1267.355322,583.2814432,124.3349777,0,0,0,70.472848,65.32734,85.459016,83.838628,55.344384,26.873856,0,0,0,13.82327743,15.04796586,15.37538029,11.69323038,6.232628859,1.778451619,0,0,0,1616.683337,1299.118355,1848.404398,1970.117902,1352.160799,739.6706081,0,0,0,32,32,32,28,16,4,0,0,0,58.3152868,56.15943233,32.28475617,18.49891408,6.561576,1.016064,0,0,0,188.0570074,217.6633782,152.2578519,105.6129435,72.9101804,31.08374443,0,0,0,7.0472848,7.258593333,7.121584667,6.986552333,6.918048,6.718464,0,0,0,1.382327743,1.671996207,1.281281691,0.974435865,0.779078607,0.444612905,0,0,0,161.6683337,144.3464838,154.0336998,164.1764919,169.0200999,184.917652,0,0,0,3.2,3.555555556,2.666666667,2.333333333,2,1,0,0,0,0.048046506,-0.01108508,-0.015991183,-3.56E-04,-0.00803207,0.011440849,0,0,0,290.5584216,-43.58376324,-106.5380879,-33.89848252,-38.74112288,77.48224576,0,0,0,540.3057923,-81.04586884,-198.1121238,-63.03567576,-72.0407723,144.0815446,0,0,0,0.0569184,-0.00853776,-0.02087008,-0.00664048,-0.00758912,0.01517824,0,0,0,2.415418284,-0.362312743,-0.885653371,-0.2817988,-0.322055771,0.644111542,0,0,0,13.12059045,-1.968088568,-4.810883166,-1.530735553,-1.74941206,3.498824121,0,0,0,6.4,-2.56,-1.28,1.12,-1.92,1.44,0,0,0,0.004804651,-0.001231676,-0.001332599,-2.96E-05,-0.001004009,0.002860212,0,0,0,29.05584216,-4.84264036,-8.878173993,-2.824873543,-4.84264036,19.37056144,0,0,0,54.03057923,-9.005096538,-16.50934365,-5.25297298,-9.005096538,36.02038615,0,0,0,0.00569184,-9.49E-04,-0.001739173,-5.53E-04,-9.49E-04,0.00379456,0,0,0,0.241541828,-0.040256971,-0.073804448,-0.023483233,-0.040256971,0.161027886,0,0,0,1.312059045,-0.218676508,-0.40090693,-0.127561296,-0.218676508,0.87470603,0,0,0,0.64,-0.284444444,-0.106666667,0.093333333,-0.24,0.36,0,0,0,-0.256350714,-0.277355985,-0.006170552,-0.208966022,0.595300761,0,0,0,-0.166666667,-0.305555556,-0.097222222,-0.166666667,0.666666667,0,0,0,-0.166666667,-0.305555556,-0.097222222,-0.166666667,0.666666667,0,0,0,-0.166666667,-0.305555556,-0.097222222,-0.166666667,0.666666667,0,0,0,-0.166666667,-0.305555556,-0.097222222,-0.166666667,0.666666667,0,0,0,-0.166666667,-0.305555556,-0.097222222,-0.166666667,0.666666667,0,0,0,-0.444444444,-0.166666667,0.145833333,-0.375,0.5625,0,0,0,1.336877113,1.150053116,0.872342165,1.087420326,0,0,0,0,1.25,1.25,0.9375,0.9375,0,0,0,0,1.25,1.25,0.9375,0.9375,0,0,0,0,1.25,1.25,0.9375,0.9375,0,0,0,0,1.25,1.25,0.9375,0.9375,0,0,0,0,1.25,1.25,0.9375,0.9375,0,0,0,0,1.5625,0.9375,0.703125,1.40625,0,0,0,0,7.123105626,3.561552813,6.179586802,7.123105626,1.780776406,3.625503686,-1.33E-15,0,0,0,6.919479102,1.729869775,0.773736197,7.123105626,3.561552813,6.179586802,7.123105626,1.780776406,3.625503686,-1.33E-15,0,0,0,6.919479102,1.729869775,0.773736197,7.123105626,3.561552813,6.179586802,7.123105626,1.780776406,3.625503686,-1.33E-15,0,0,0,6.919479102,1.729869775,0.773736197,7.123105626,3.561552813,6.179586802,7.123105626,1.780776406,3.625503686,-1.33E-15,0,0,0,6.919479102,1.729869775,0.773736197,7.123105626,3.561552813,6.179586802,7.123105626,1.780776406,3.625503686,-1.33E-15,0,0,0,6.919479102,1.729869775,0.773736197,7.123105626,3.561552813,6.179586802,7.123105626,1.780776406,3.625503686,-1.33E-15,0,0,0,6.919479102,1.729869775,0.773736197,9.658647911,4.745990622,8.46443422,9.575314577,2.393828644,4.764301859,-0.166666667,1.11E-16,2.78E-17,-14.69472023,6.270073421,1.567518355,0.734315226,0,11.79,12.21001914,-0.294572411,0.126467089,4.887221717,5.997297399,3,9,7,7,1,2,2,0,0,2,6.559242,3.408029364,2.658128424,1.308119058,0.782434175,0.083923071,0.083923071,0.27936504,0.522511278,1.75020518,1.268937241,0.522511278,0.27936504,0.083923071,0.083923071,0.782434175,1.308119058,3.429767785,2.698520663,1.40600953,0.917344884,0.270913902,0.270913902,0.113370897,0.376550477,1.697487266,1.180578614,0.376550477,0.113370897,0.270913902,0.270913902,0.917344884,1.40600953,3.527606799,2.87960729,1.811896764,1.442933205,0.943918427,0.943918427,0.464450273,0.112883792,1.547587434,0.916116982,0.112883792,0.464450273,0.943918427,0.943918427,1.442933205,1.811896764,3.445901754,2.728518613,1.477065343,1.013045215,0.399277246,0.399277246,6.32E-04,0.278638317,1.664371021,1.123780811,0.278638317,6.32E-04,0.399277246,0.399277246,1.013045215,1.477065343,3.576614809,2.968708587,1.991857135,1.662561881,1.207644823,1.207644823,0.680182031,0.286482806,1.502463628,0.833364329,0.286482806,0.680182031,1.207644823,1.207644823,1.662561881,1.991857135,3.417652089,2.804434108,1.473456931,0.979784789,0.4,0.4,0.019569991,0.282669956,1.70154894,1.071539028,0.282669956,0.019569991,0.4,0.4,0.979784789,1.473456931,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,2.568914101,1.149829914,0.471404521,0.166666667,0,0,0,0,0.642228525,0.383276638,0.23570226,0.166666667,0,0,0,0,5.625483411,9.663510561,9.176470588,9.28,6.395663473,75.82745988,0.562548341,0.966351056,0.917647059,0.928,0.639566347,7.582745988,1.21078,19.854,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.9,0.9,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,6.722222222,0,0,3.277777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.638888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0.45,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,3.361111111,0,0,1.638888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0.45,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,3.361111111,0,0,1.638888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,2.5,0.45,3.361111111,0.45,1.638888889,3.055444444,0.361111111,0.361111111,1.444444444,0.361111111,0.361111111,1.444444444,2,0.5,0,0,0.46,0.7,0.41429,0.41429,0.7,0.04571,0.04571,0,0,0.71429,0,0,0.5,0,0,4.5,1.125,1.5,0.375,3,0.75,1.5,0.375,0,0,0.95415,0.23854,2.95465,2.0005,0.50012,0.64721,0.1618,1.91421,1.267,0.31675,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3,0,0,0,0,0,0,0,0.970950594,1.370950594,1.921928095,1.921928095,1.457542476,0.528771238,9.709505945,13.70950594,19.21928095,19.21928095,14.57542476,5.28771238,0.292285253,0.412697252,0.578558006,0.578558006,0.438764005,0.159176003,2.3509775,1.9509775,1.4,1.4,1.864385619,2.793156857,0.280667665,0.396293595,0.555561811,0.555561811,0.421324263,0.152849166,6.79089428,11.59089428,12.1461832,12.1461832,6.573555769,0.53290889,15.34358585,13.79833099,14.18911105,14.18911105,8.616483618,2.115084952,4,3,4,4,4,4,1.9,0.5862,0.333333333,2.828427125,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.131,0.136,0.207,0.294,1.556,2,1,0,0,0,0,0,0,0,10,1.791759469,1.609437912,1.609437912,0,0,0,0,0,0,0,2.890371758,1.7,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.333333333,1,0.333333333,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,0,72.4674798,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,54.04695019,5.404695019,6.871320344,1.717830086,0,0,0,10,1,1.956,10,1.179666667,2.113566477,2.882186098,3.576378551,4.771983577,0,0,0,0,0,73.18031252,73.0712112,60.76326604,26.72272256,4.848640721,0,0,0,0,0,272.9640423,335.0923867,322.9926136,285.3127634,148.3311179,0,0,0,0,0,8.584898519,15.07993604,20.16792365,24.85874406,32.06039987,0,0,0,0,0,2.06026129,2.7875606,2.913871388,2.982661288,2.12168548,0,0,0,0,0,168.8999681,323.5785704,471.0893317,595.1456249,882.4239986,0,0,0,0,0,4.334222222,5.805580376,7.0750567,7.739906294,4.771983577,0,0,0,0,0,0.4268475,0.587994031,0.6244041,0.652671872,0.488651118,0,0,0,0,0,212.8362264,71.56595078,11.77539864,177.0559077,-59.53485735,-14.95833477,35.78031868,131.1008081,26.73373341,0.545884894,0.183553205,0.030201683,0.454115106,-0.152695713,-0.038365316,82.98317053,27.90300128,4.591135306,69.03270572,-23.21217259,-5.832137066,0.181896664,0.293559193,4.1929317,19.05493211,389.8921341,0,1,0,241.6689929,15.54570658,6.228837162,301.0650832,17.35122714,6.702242386,306.8812608,17.51802674,6.745126878,1.695226654,1.362335193,115.5464414,103.2541469,12.29229445,1.119048918,9.399908361,8.399908361,2.476189101,3.315270577,5.397970267,0.62821409,2.163388361,0.210497052,2.990408746,4.146198102,1.211454901,1.077259879,0.711868076,3.058807519,2.49E-07,0.353099057,1.82E-16,1.80E-53,3.45E-112,1.28E-192,9.09E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.181590317,0.210496255,0.186309981,0.29958198,0.008539793,0.876194207,0.059740393,0.114018639,1.75E-09,0.002486906,1.28E-18,1.27E-55,2.43E-114,8.98E-195,6.40E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.586117548,0.210496401,0.643881886,0.889964273,0.088932992,0.897920744,0.192850431,0.462085857,1.83E-08,0.025915473,1.33E-17,1.32E-54,2.54E-113,9.36E-194,6.67E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.042064104,0.210496997,2.778129823,3.841799332,1.079389614,1.058117685,0.671944181,2.789017092,2.22E-07,0.314604902,1.62E-16,1.61E-53,3.08E-112,1.14E-192,8.10E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.86381281,0.210496505,0.992078468,1.353081599,0.193156091,0.918570429,0.284227228,0.776152037,3.97E-08,0.05629187,2.90E-17,2.88E-54,5.51E-113,2.03E-193,1.45E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.612597472,0.210497263,3.822496202,5.351493781,1.766768925,1.155893272,0.859689544,4.159354823,3.63E-07,0.514961789,2.65E-16,2.63E-53,5.04E-112,1.86E-192,1.33E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.923060662,0.179623751,0.908184896,1.353138434,0.193848223,1.296078826,0.341689343,0.874321672,3.99E-08,0.056495849,2.91E-17,2.89E-54,5.53E-113,2.04E-193,1.45E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.832282153,0.833964997,0,0.772528975,0.227471025,0.561248522,0.488011166,0,3.66624715,2.362024177,6.028271327,0.658793463,1.049259688,1.910313611,0.227345527,8.50E-34,0.893647437,0.106352563,0.254710681,0.035688491,0.04674287,2.137659138,0.434301255,2.571960394,0.840471156,0.337142042,2.24464896,0.447660114,1.33E-33,0.833726329,0.166273671,0.351957644,0.139340774,0.114938509,2.692309074,1.004839809,3.697148884,0.750589493,0.606236927,2.805956184,0.816679806,2.14E-33,0.774562002,0.225437998,0.550823347,0.467832418,0.297071538,3.62263599,2.291567753,5.914203743,0.661843002,1.315727302,2.406349065,0.55406688,0,0.812841543,0.187158457,0.404664457,0.214065034,0,2.960415946,1.333278319,4.293694265,0.719262315,0.618729491,2.916047422,0.888952116,0,0.766372609,0.233627391,0.595075502,0.555065595,0,3.804999538,2.592226526,6.397226064,0.649558913,1.150141097,2.811575434,0.809694149,2.13E-33,0.776406001,0.223593999,0.55308786,0.46008023,0.293364512,3.621269582,2.276516177,5.89778576,0.664609001,1.306532603 +UMLKV0114,L,"CIS-1,3-Pentadiene",CC=CC=C,C5H8,Diolefin - has two C=C double bonds,,1574-41-0,2.287458636,PubChem,,0.2673,0,1.6148,2.60757904,26.1983,14.134344,0,0,13,5,8,0,5,0,0,0,0,0,0,0,0,0,729.449117,673.913188,570.034587,404.604482,235.110121,65.61576,6.096384,0,0,2366.254464,2611.960538,2656.988463,2097.249562,1413.175683,729.101804,186.5024666,0,0,91.450292,87.10312,127.789356,126.168968,97.674724,69.18048,40.310784,0,0,17.50140324,20.06395448,22.39413903,18.71198912,13.2513876,7.790786074,2.667677429,0,0,2113.312997,1732.157806,2804.401701,2926.115206,2308.158102,1690.200999,1109.505912,0,0,33,36,41,36,27,18,6,0,0,56.11147054,56.15943233,31.66858817,22.47802678,16.79358007,6.561576,1.016064,0,0,182.0195742,217.6633782,147.6104702,116.5138645,100.9411202,72.9101804,31.08374443,0,0,7.034637846,7.258593333,7.099408667,7.009387111,6.976766,6.918048,6.718464,0,0,1.346261788,1.671996207,1.244118835,1.039554951,0.946527686,0.779078607,0.444612905,0,0,162.5625382,144.3464838,155.8000945,162.5619559,164.8684359,169.0200999,184.917652,0,0,2.538461538,3,2.277777778,2,1.928571429,1.8,1,0,0,0.047395517,-0.006352295,-0.019881731,-4.66E-04,-0.003771255,-0.001947772,0.00872155,0,0,372.5107969,-45.8474827,-106.0223037,-40.83291428,-47.28021653,-53.72751879,107.4550376,0,0,692.6997337,-85.25535183,-197.1530011,-75.93054773,-87.91958158,-99.90861543,199.8172309,0,0,0.072972308,-0.008981207,-0.020769041,-0.007998888,-0.00926187,-0.010524852,0.021049704,0,0,3.096690107,-0.38113109,-0.881365646,-0.339444877,-0.393041437,-0.446637996,0.893275992,0,0,16.82126981,-2.070310131,-4.787592177,-1.84386996,-2.135007322,-2.426144684,4.852289368,0,0,5.230769231,-1.213017751,-0.934911243,-0.088757396,-0.094674556,-1.562130178,1.278106509,0,0,0.003645809,-5.29E-04,-0.001104541,-2.59E-05,-2.69E-04,-1.95E-04,0.001453592,0,0,28.65467669,-3.820623558,-5.890127986,-2.268495238,-3.377158324,-5.372751879,17.90917293,0,0,53.2845949,-7.104612653,-10.95294451,-4.218363763,-6.279970113,-9.990861543,33.30287181,0,0,0.005613254,-7.48E-04,-0.001153836,-4.44E-04,-6.62E-04,-0.001052485,0.003508284,0,0,0.238206931,-0.031760924,-0.048964758,-0.018858049,-0.028074388,-0.0446638,0.148879332,0,0,1.293943832,-0.172525844,-0.265977343,-0.10243722,-0.152500523,-0.242614468,0.808714895,0,0,0.402366864,-0.101084813,-0.051939513,-0.004930966,-0.006762468,-0.156213018,0.213017751,0,0,-0.145196274,-0.302961728,-0.007104907,-0.07388631,-0.053424955,0.398702101,0,0,-0.133333333,-0.205555556,-0.079166667,-0.117857143,-0.1875,0.625,0,0,-0.133333333,-0.205555556,-0.079166667,-0.117857143,-0.1875,0.625,0,0,-0.133333333,-0.205555556,-0.079166667,-0.117857143,-0.1875,0.625,0,0,-0.133333333,-0.205555556,-0.079166667,-0.117857143,-0.1875,0.625,0,0,-0.133333333,-0.205555556,-0.079166667,-0.117857143,-0.1875,0.625,0,0,-0.25122549,-0.129084967,-0.012254902,-0.016806723,-0.388235294,0.529411765,0,0,1.262485703,1.251563188,0.940599509,0.99097867,0.899209849,0.087573859,0,0,1.3,1.191666667,0.975,0.975,0.975,0,0,0,1.3,1.191666667,0.975,0.975,0.975,0,0,0,1.3,1.191666667,0.975,0.975,0.975,0,0,0,1.3,1.191666667,0.975,0.975,0.975,0,0,0,1.3,1.191666667,0.975,0.975,0.975,0,0,0,1.433823529,0.955882353,0.828431373,0.901260504,1.605882353,0,0,0,12.45690855,6.228454277,10.21079397,12.45690855,2.491381711,6.233534471,-5.33E-15,0.049036542,0.009807308,-1.507594751,18.04394764,3.608789528,1.446405159,12.45690855,6.228454277,10.21079397,12.45690855,2.491381711,6.233534471,-5.33E-15,0.049036542,0.009807308,-1.507594751,18.04394764,3.608789528,1.446405159,12.45690855,6.228454277,10.21079397,12.45690855,2.491381711,6.233534471,-5.33E-15,0.049036542,0.009807308,-1.507594751,18.04394764,3.608789528,1.446405159,12.45690855,6.228454277,10.21079397,12.45690855,2.491381711,6.233534471,-5.33E-15,0.049036542,0.009807308,-1.507594751,18.04394764,3.608789528,1.446405159,12.45690855,6.228454277,10.21079397,12.45690855,2.491381711,6.233534471,-5.33E-15,0.049036542,0.009807308,-1.507594751,18.04394764,3.608789528,1.446405159,12.45690855,6.228454277,10.21079397,12.45690855,2.491381711,6.233534471,-5.33E-15,0.049036542,0.009807308,-1.507594751,18.04394764,3.608789528,1.446405159,14.5019259,7.184296283,11.87948651,14.4219259,2.88438518,7.186169277,-0.133333333,0.079101333,0.015820267,-1.268512779,24.10842942,4.821685884,1.591280774,0,11.79,12.21002884,-0.294453923,0.126614578,5.049557894,6.584758486,4,12,10,10,2,2,2,0,0,2,8.745656,3.475686118,2.882506331,2.09321077,1.127900214,0.703540585,0.083923071,0.083923071,0.083923071,1.802255728,1.45506616,0.94886033,0.417362736,0.239683713,0.083923071,0.083923071,0.083923071,3.495926641,2.920258601,2.158121505,1.233844682,0.843553561,0.270913902,0.270913902,0.270913902,1.750706403,1.372127968,0.838592227,0.264857986,0.070850898,0.270913902,0.270913902,0.270913902,3.587776669,3.089717281,2.432665336,1.669128027,1.385655638,0.943918427,0.943918427,0.943918427,1.60670069,1.123932992,0.484940537,0.250904254,0.519319148,0.943918427,0.943918427,0.943918427,3.510985714,2.948304182,2.205448113,1.310518016,0.942651099,0.399277246,0.399277246,0.399277246,1.718570391,1.318798061,0.76587968,0.162250383,0.043977618,0.399277246,0.399277246,0.399277246,3.634301745,3.173248351,2.558607154,1.860111861,1.610784325,1.207644823,1.207644823,1.207644823,1.56404679,1.046404679,0.365037338,0.435781662,0.740877823,1.207644823,1.207644823,1.207644823,3.511245281,3.003289857,2.216403616,1.345080004,0.96980281,0.454545455,0.454545455,0.454545455,1.740478407,1.265772253,0.731286975,0.119497945,0.083941285,0.454545455,0.454545455,0.454545455,0,0,1,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,3.439157589,1.652265226,0.761485683,0.328532853,0.136082763,0,0,0,0.687831518,0.413066307,0.253828561,0.164266427,0.136082763,0,0,0,7.167311215,12.55134741,11.90196078,12.04,8.194217964,98.85571497,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,1.60088,24.471,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,3,0,0,0,1,0,4,0,0,0,0,0,0,0,0,1,1,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.04,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.44,1.244097222,0,0,0,0.315902778,0,1.684097222,0,0,0,0,0,0,0,0,1.96,3.463611111,0,0,5.576388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.44,0.3875,0,0,0,0.315902778,0,0.3875,0,0,0,0,0,0,0,0,1.96,3.463611111,0,0,1.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.463611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.44,0.434375,0,0,0,0.315902778,0,0.44,0,0,0,0,0,0,0,0,1.96,3.463611111,0,0,1.9375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,2.2,0.44,3.463611111,0.315902778,1.75,3.509537222,0.25,0.463611111,0.927222222,0.25,0.463611111,0.927222222,2.5,0.5,0,0,0.45385,0.7,0.41765,0.41765,0.7,0.0362,0.0362,0,0,0.71429,0,0,0.4,0,0,5,1,2,0.4,3,0.6,1,0.2,0,0,1.85484,0.37097,4.09272,2.23789,0.44758,1.07082,0.21416,2.41421,1.34339,0.26868,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4,0,0,0,0,0,0,0.2,0.961236605,2.28778372,3.026986833,3.026986833,2.684269355,2.042236151,12.49607586,29.74118836,39.35082883,39.35082883,34.89550161,26.54906996,0.259762806,0.61824645,0.818007335,0.818007335,0.725391996,0.551890128,2.739203113,1.412655998,0.673452885,0.673452885,1.016170363,1.658203567,0.252468347,0.60088533,0.795036684,0.795036684,0.705022098,0.536392375,6.796774065,16.25915141,18.69524266,17.00413881,15.22092949,8.316044536,19.35422196,14.22465798,11.95049569,13.25852624,10.33000174,6.280554606,5,4,4,5,4,5,2.01,0.7271,0.25,3.301927249,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.13,0.124,0.267,0.303,2.102,3,2,1,0,0,0,0,0,0,15,1.945910149,1.945910149,1.945910149,1.609437912,0,0,0,0,0,0,3.33220451,1.8,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,2,0.5,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,0,89.76346443,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,68.06260026,5.235584635,8.849873734,1.769974747,0,0,0,20,2,2.48,14,1.194454918,2.115347955,2.963295036,3.76674694,5.05036074,5.899654033,0,0,0,0,76.30778932,75.34178754,78.68511691,77.83164119,35.15061835,5.994426076,0,0,0,0,281.5497095,335.8802249,376.1155622,433.1876533,383.4002155,183.3833382,0,0,0,0,8.699590426,15.07038963,20.82612229,26.44548878,35.01106079,39.63661324,0,0,0,0,2.114105985,2.775311293,3.257709988,3.923171333,4.055995135,2.623062317,0,0,0,0,170.5769987,325.7968836,477.9629506,608.4219733,847.8437531,1090.950172,0,0,0,0,3.728813989,5.039045779,6.209411142,7.94220277,9.366360477,5.899654033,0,0,0,0,0.437591682,0.584967145,0.69332023,0.840435362,0.889587123,0.604124573,0,0,0,0,231.7948218,85.30516133,9.72577001,125.7317085,-46.2718002,-8.783777047,106.0631132,131.5769615,18.50954706,0.648329011,0.238598129,0.027202932,0.351670989,-0.129422004,-0.024568183,82.87279837,30.49885835,3.477220806,44.9524215,-16.54339618,-3.14043333,0.166897819,0.268194469,3.108766387,6.84869575,357.5265303,0,1,0,294.2024399,17.15233045,6.650925606,375.0486736,19.36617344,7.211559835,392.1153044,19.80190153,7.319328925,2.084466371,2.084466371,243.798068,228.6987871,18.31366393,1.066022567,13.31235895,12.48787725,3.049138771,3.426152101,6.690039649,0.952639419,3.580287369,1.867124539,2.218693693,5.229167377,2.720900083,0.835120002,1.855248286,1.495304651,1.467369971,3.73E-04,1.318274297,0.027034929,6.72E-05,3.23E-29,2.99E-75,5.33E-143,1.84E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300486625,1.865391404,0.175608133,2.482990809,0.026249,0.12216758,0.212279005,0.104776825,0.641819741,2.89E-05,0.037998585,1.90E-04,4.73E-07,2.27E-31,2.10E-77,3.76E-145,1.29E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0.96996388,1.865507267,0.573863461,2.683187139,0.217902636,0.267124876,0.547152767,0.351881212,0.793595081,9.50E-05,0.170525363,0.001984211,4.93E-06,2.37E-30,2.19E-76,3.91E-144,1.35E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,3.379500318,1.866934274,2.086973012,4.933566097,2.42915176,0.79127139,1.75449308,1.397182973,1.41090936,3.51E-04,1.194329868,0.024087635,5.99E-05,2.87E-29,2.66E-75,4.75E-143,1.64E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,1.429539027,1.865657443,0.852830021,2.927613053,0.455877912,0.366803203,0.777178982,0.532417114,0.902753674,1.42E-04,0.299745649,0.004309971,1.07E-05,5.14E-30,4.76E-76,8.50E-144,2.93E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,4.323711445,1.867924565,2.713940354,6.468392461,3.945066193,0.997701231,2.228496804,1.873359406,1.683141074,4.59E-04,1.828922488,0.039427903,9.80E-05,4.71E-29,4.36E-75,7.78E-143,2.68E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,1.678887018,1.572285803,0.969678066,2.92748276,0.581214989,0.391495325,0.976974112,0.562227222,1.094465048,2.18E-04,0.351419682,0.005585729,1.39E-05,6.67E-30,6.17E-76,1.10E-143,3.80E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,4.59800857,0.808704077,0.122670217,0.831559088,0.146255757,0.595095805,0.456269209,0.153846154,5.529382864,4.381670892,10.36719416,0.747338631,1.205211168,3.363257022,0.247867221,0.023597976,0.925313358,0.068194268,0.318343898,0.043013372,0.005693219,3.634722219,0.918856395,4.573250859,0.887970037,0.367050489,3.820376429,0.455534401,0.060277817,0.881044793,0.105054101,0.410783396,0.145078054,0.037146971,4.336188647,1.99805546,6.439146369,0.821567189,0.593008421,4.563849855,0.793192836,0.11992966,0.833279696,0.144823232,0.586283827,0.438972139,0.147048831,5.47697235,4.262481314,10.17360059,0.749919544,1.172304797,4.037574464,0.554189029,0.077705102,0.864675365,0.118683533,0.458832599,0.214587818,0.061731588,4.669468595,2.594382922,7.437722858,0.797013048,0.735152004,4.706283488,0.857869767,0.13135706,0.826314628,0.150622107,0.623462349,0.513295408,0.176406756,5.695510315,4.768269133,10.99411759,0.739471942,1.313164513,4.573559366,0.789472503,0.119312456,0.834234243,0.144002722,0.588763972,0.435094324,0.145539187,5.482344325,4.250575865,10.1637216,0.751351364,1.169397483 +UMLKV0115,L,"TRANS-1,3-PENTADIENE",CC=CC=C,C5H8,Diolefin - has two C=C double bonds,,504-60-9,2.287458636,PubChem,,0.2729,0,1.6148,2.60757904,26.1983,14.134344,0,0,13,5,8,0,5,0,0,0,0,0,0,0,0,0,729.449117,673.913188,570.034587,404.604482,235.110121,65.61576,6.096384,0,0,2366.254464,2611.960538,2656.988463,2097.249562,1413.175683,729.101804,186.5024666,0,0,91.450292,87.10312,127.789356,126.168968,97.674724,69.18048,40.310784,0,0,17.50140324,20.06395448,22.39413903,18.71198912,13.2513876,7.790786074,2.667677429,0,0,2113.312997,1732.157806,2804.401701,2926.115206,2308.158102,1690.200999,1109.505912,0,0,33,36,41,36,27,18,6,0,0,56.11147054,56.15943233,31.66858817,22.47802678,16.79358007,6.561576,1.016064,0,0,182.0195742,217.6633782,147.6104702,116.5138645,100.9411202,72.9101804,31.08374443,0,0,7.034637846,7.258593333,7.099408667,7.009387111,6.976766,6.918048,6.718464,0,0,1.346261788,1.671996207,1.244118835,1.039554951,0.946527686,0.779078607,0.444612905,0,0,162.5625382,144.3464838,155.8000945,162.5619559,164.8684359,169.0200999,184.917652,0,0,2.538461538,3,2.277777778,2,1.928571429,1.8,1,0,0,0.047395517,-0.006352295,-0.019881731,-4.66E-04,-0.003771255,-0.001947772,0.00872155,0,0,372.5107969,-45.8474827,-106.0223037,-40.83291428,-47.28021653,-53.72751879,107.4550376,0,0,692.6997337,-85.25535183,-197.1530011,-75.93054773,-87.91958158,-99.90861543,199.8172309,0,0,0.072972308,-0.008981207,-0.020769041,-0.007998888,-0.00926187,-0.010524852,0.021049704,0,0,3.096690107,-0.38113109,-0.881365646,-0.339444877,-0.393041437,-0.446637996,0.893275992,0,0,16.82126981,-2.070310131,-4.787592177,-1.84386996,-2.135007322,-2.426144684,4.852289368,0,0,5.230769231,-1.213017751,-0.934911243,-0.088757396,-0.094674556,-1.562130178,1.278106509,0,0,0.003645809,-5.29E-04,-0.001104541,-2.59E-05,-2.69E-04,-1.95E-04,0.001453592,0,0,28.65467669,-3.820623558,-5.890127986,-2.268495238,-3.377158324,-5.372751879,17.90917293,0,0,53.2845949,-7.104612653,-10.95294451,-4.218363763,-6.279970113,-9.990861543,33.30287181,0,0,0.005613254,-7.48E-04,-0.001153836,-4.44E-04,-6.62E-04,-0.001052485,0.003508284,0,0,0.238206931,-0.031760924,-0.048964758,-0.018858049,-0.028074388,-0.0446638,0.148879332,0,0,1.293943832,-0.172525844,-0.265977343,-0.10243722,-0.152500523,-0.242614468,0.808714895,0,0,0.402366864,-0.101084813,-0.051939513,-0.004930966,-0.006762468,-0.156213018,0.213017751,0,0,-0.145196274,-0.302961728,-0.007104907,-0.07388631,-0.053424955,0.398702101,0,0,-0.133333333,-0.205555556,-0.079166667,-0.117857143,-0.1875,0.625,0,0,-0.133333333,-0.205555556,-0.079166667,-0.117857143,-0.1875,0.625,0,0,-0.133333333,-0.205555556,-0.079166667,-0.117857143,-0.1875,0.625,0,0,-0.133333333,-0.205555556,-0.079166667,-0.117857143,-0.1875,0.625,0,0,-0.133333333,-0.205555556,-0.079166667,-0.117857143,-0.1875,0.625,0,0,-0.25122549,-0.129084967,-0.012254902,-0.016806723,-0.388235294,0.529411765,0,0,1.262485703,1.251563188,0.940599509,0.99097867,0.899209849,0.087573859,0,0,1.3,1.191666667,0.975,0.975,0.975,0,0,0,1.3,1.191666667,0.975,0.975,0.975,0,0,0,1.3,1.191666667,0.975,0.975,0.975,0,0,0,1.3,1.191666667,0.975,0.975,0.975,0,0,0,1.3,1.191666667,0.975,0.975,0.975,0,0,0,1.433823529,0.955882353,0.828431373,0.901260504,1.605882353,0,0,0,12.45690855,6.228454277,10.21079397,12.45690855,2.491381711,6.233534471,-5.33E-15,0.049036542,0.009807308,-1.507594751,18.04394764,3.608789528,1.446405159,12.45690855,6.228454277,10.21079397,12.45690855,2.491381711,6.233534471,-5.33E-15,0.049036542,0.009807308,-1.507594751,18.04394764,3.608789528,1.446405159,12.45690855,6.228454277,10.21079397,12.45690855,2.491381711,6.233534471,-5.33E-15,0.049036542,0.009807308,-1.507594751,18.04394764,3.608789528,1.446405159,12.45690855,6.228454277,10.21079397,12.45690855,2.491381711,6.233534471,-5.33E-15,0.049036542,0.009807308,-1.507594751,18.04394764,3.608789528,1.446405159,12.45690855,6.228454277,10.21079397,12.45690855,2.491381711,6.233534471,-5.33E-15,0.049036542,0.009807308,-1.507594751,18.04394764,3.608789528,1.446405159,12.45690855,6.228454277,10.21079397,12.45690855,2.491381711,6.233534471,-5.33E-15,0.049036542,0.009807308,-1.507594751,18.04394764,3.608789528,1.446405159,14.5019259,7.184296283,11.87948651,14.4219259,2.88438518,7.186169277,-0.133333333,0.079101333,0.015820267,-1.268512779,24.10842942,4.821685884,1.591280774,0,11.79,12.21002884,-0.294453923,0.126614578,5.049557894,6.584758486,4,12,10,10,2,2,2,0,0,2,8.745656,3.475686118,2.882506331,2.09321077,1.127900214,0.703540585,0.083923071,0.083923071,0.083923071,1.802255728,1.45506616,0.94886033,0.417362736,0.239683713,0.083923071,0.083923071,0.083923071,3.495926641,2.920258601,2.158121505,1.233844682,0.843553561,0.270913902,0.270913902,0.270913902,1.750706403,1.372127968,0.838592227,0.264857986,0.070850898,0.270913902,0.270913902,0.270913902,3.587776669,3.089717281,2.432665336,1.669128027,1.385655638,0.943918427,0.943918427,0.943918427,1.60670069,1.123932992,0.484940537,0.250904254,0.519319148,0.943918427,0.943918427,0.943918427,3.510985714,2.948304182,2.205448113,1.310518016,0.942651099,0.399277246,0.399277246,0.399277246,1.718570391,1.318798061,0.76587968,0.162250383,0.043977618,0.399277246,0.399277246,0.399277246,3.634301745,3.173248351,2.558607154,1.860111861,1.610784325,1.207644823,1.207644823,1.207644823,1.56404679,1.046404679,0.365037338,0.435781662,0.740877823,1.207644823,1.207644823,1.207644823,3.511245281,3.003289857,2.216403616,1.345080004,0.96980281,0.454545455,0.454545455,0.454545455,1.740478407,1.265772253,0.731286975,0.119497945,0.083941285,0.454545455,0.454545455,0.454545455,0,0,1,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,3.439157589,1.652265226,0.761485683,0.328532853,0.136082763,0,0,0,0.687831518,0.413066307,0.253828561,0.164266427,0.136082763,0,0,0,7.167311215,12.55134741,11.90196078,12.04,8.194217964,98.85571497,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,1.60088,24.471,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,3,0,0,0,1,0,4,0,0,0,0,0,0,0,0,1,1,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.04,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.44,1.244097222,0,0,0,0.315902778,0,1.684097222,0,0,0,0,0,0,0,0,1.96,3.463611111,0,0,5.576388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.44,0.3875,0,0,0,0.315902778,0,0.3875,0,0,0,0,0,0,0,0,1.96,3.463611111,0,0,1.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.463611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.44,0.434375,0,0,0,0.315902778,0,0.44,0,0,0,0,0,0,0,0,1.96,3.463611111,0,0,1.9375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,2.2,0.44,3.463611111,0.315902778,1.75,3.509537222,0.25,0.463611111,0.927222222,0.25,0.463611111,0.927222222,2.5,0.5,0,0,0.45385,0.7,0.41765,0.41765,0.7,0.0362,0.0362,0,0,0.71429,0,0,0.4,0,0,5,1,2,0.4,3,0.6,1,0.2,0,0,1.85484,0.37097,4.09272,2.23789,0.44758,1.07082,0.21416,2.41421,1.34339,0.26868,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4,0,0,0,0,0,0,0.2,0.961236605,2.28778372,3.026986833,3.026986833,2.684269355,2.042236151,12.49607586,29.74118836,39.35082883,39.35082883,34.89550161,26.54906996,0.259762806,0.61824645,0.818007335,0.818007335,0.725391996,0.551890128,2.739203113,1.412655998,0.673452885,0.673452885,1.016170363,1.658203567,0.252468347,0.60088533,0.795036684,0.795036684,0.705022098,0.536392375,6.796774065,16.25915141,18.69524266,17.00413881,15.22092949,8.316044536,19.35422196,14.22465798,11.95049569,13.25852624,10.33000174,6.280554606,5,4,4,5,4,5,2.01,0.7271,0.25,3.301927249,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.13,0.124,0.267,0.303,2.102,3,2,1,0,0,0,0,0,0,15,1.945910149,1.945910149,1.945910149,1.609437912,0,0,0,0,0,0,3.33220451,1.8,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,2,0.5,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,0,89.76346443,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,68.06260026,5.235584635,8.849873734,1.769974747,0,0,0,20,2,2.48,14,1.194434768,2.115331799,2.963265301,3.766753756,5.050350555,5.899626026,0,0,0,0,76.3084265,75.34225931,78.68583971,77.83211259,35.15063547,5.994397619,0,0,0,0,281.5494563,335.8800683,376.1163142,433.1897582,383.4001061,183.3824676,0,0,0,0,8.699449828,15.07027764,20.8259244,26.44554115,35.01099336,39.63642507,0,0,0,0,2.114094717,2.775303023,3.257705554,3.923187643,4.055992263,2.623049865,0,0,0,0,170.5737378,325.7942063,477.9573446,608.4227272,847.841791,1090.944993,0,0,0,0,3.728787302,5.039031491,6.209389016,7.942235531,9.366360272,5.899626026,0,0,0,0,0.437588996,0.584965159,0.693318864,0.84043874,0.889586421,0.604121705,0,0,0,0,229.4941287,84.45845998,9.617388538,125.7317085,-46.2718002,-8.825079018,103.7624202,130.7302602,18.44246756,0.646051342,0.237759901,0.027074012,0.353948658,-0.130260233,-0.024843573,81.52224403,30.00182716,3.416344896,44.66315144,-16.43693897,-3.134896083,0.166897819,0.268194469,3.049692441,6.857130104,355.2258373,0,1,0,294.195209,17.15211966,6.650871117,375.0474318,19.36614138,7.211551876,392.1057093,19.80165926,7.319269223,2.660142434,2.660142434,243.801601,228.7020349,18.3137423,1.066022876,13.3124949,12.48800115,3.049155527,3.426127514,6.689984859,0.952637441,3.582887712,1.867896129,2.220691145,5.228678125,2.722876719,0.83475935,1.85534446,1.495511513,1.467676216,3.73E-04,1.318252981,0.027091171,6.70E-05,3.20E-29,2.94E-75,5.23E-143,1.79E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300704861,1.866160794,0.175765589,2.483779607,0.026258683,0.122099622,0.212447198,0.104779978,0.642098302,2.89E-05,0.037976438,1.91E-04,4.72E-07,2.25E-31,2.07E-77,3.68E-145,1.26E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0.970668355,1.866276803,0.574378455,2.683908359,0.21803682,0.266995812,0.547307707,0.351900751,0.793872196,9.48E-05,0.170467285,0.001988339,4.92E-06,2.35E-30,2.16E-76,3.84E-144,1.31E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,3.381954829,1.867705622,2.088851438,4.93322347,2.430909988,0.790928175,1.754594175,1.397368452,1.411211399,3.50E-04,1.19429573,0.024137745,5.97E-05,2.85E-29,2.62E-75,4.66E-143,1.60E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,1.43057729,1.86642717,0.853595811,2.928230488,0.456179808,0.366632595,0.777324395,0.532455383,0.903031904,1.41E-04,0.299673625,0.004318937,1.07E-05,5.10E-30,4.69E-76,8.34E-144,2.86E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,4.326851734,1.868697171,2.716385757,6.467282683,3.947962755,0.997276563,2.228574176,1.873655564,1.683465741,4.58E-04,1.828963147,0.039509926,9.77E-05,4.66E-29,4.29E-75,7.63E-143,2.61E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,1.680085004,1.572959288,0.970462364,2.928104015,0.581611973,0.391310957,0.977043619,0.56227452,1.094790928,2.18E-04,0.351359216,0.005597349,1.38E-05,6.61E-30,6.08E-76,1.08E-143,3.70E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,4.598010177,0.808671275,0.122662322,0.831565257,0.146250859,0.595105368,0.456283305,0.153846155,5.529343774,4.381474854,10.36691133,0.747347886,1.205234828,3.363308807,0.247869213,0.023596458,0.925314301,0.068193836,0.318358583,0.043019049,0.005693219,3.634774479,0.918871718,4.573317637,0.887971452,0.367070851,3.820409591,0.455523557,0.060273938,0.881048694,0.105051154,0.410796825,0.145087744,0.037146972,4.336207086,1.998013895,6.439114905,0.821573041,0.593031541,4.563852845,0.793161001,0.119921941,0.833285805,0.144818386,0.586293605,0.438986119,0.147048832,5.476935787,4.262293587,10.17333122,0.749928707,1.172328556,4.037598798,0.554172065,0.077700101,0.864680138,0.11867984,0.458845166,0.214599084,0.061731588,4.669470964,2.594305525,7.437632367,0.797020207,0.735175838,4.706280712,0.857833898,0.131348606,0.826320974,0.150617055,0.623471202,0.51330982,0.176406757,5.695463216,4.768045823,10.99379057,0.739481461,1.313187779,4.573562818,0.789441047,0.119304777,0.834240302,0.143997921,0.588773908,0.435108588,0.145539188,5.482308641,4.250390199,10.16345568,0.751360453,1.169421684 +UMLKV0116,L,CYCLOPENTENE,C1CC=CC1,C5H8,Cyclic olefin with a single C=C double bond within the otherwise saturated ring,cyclopentenes,142-29-0,2.369074834,PubChem,,0.2656,0,0.691,0.477481,22.1338,14.134344,0,0,13,5,8,0,5,0,0,0,0,0,0,0,0,0,729.449117,818.177309,918.082205,206.92224,12.192768,0,0,0,0,2366.254464,3035.47744,4046.621604,2239.87454,373.0049332,0,0,0,0,91.450292,94.643636,171.740084,201.222144,80.621568,0,0,0,0,17.50140324,22.85285448,33.09504767,23.59667672,5.335354858,0,0,0,0,2113.312997,1858.952162,3638.6855,4853.89024,2219.011824,0,0,0,0,22.75,27.5,44.25,41,12,0,0,0,0,56.11147054,62.93671608,38.25342521,7.135249655,1.016064,0,0,0,0,182.0195742,233.4982646,168.6092335,77.23705309,31.08374443,0,0,0,0,7.034637846,7.280279692,7.155836833,6.938694621,6.718464,0,0,0,0,1.346261788,1.757911883,1.37896032,0.813678508,0.444612905,0,0,0,0,162.5625382,142.9963202,151.6118958,167.3755255,184.917652,0,0,0,0,1.75,2.115384615,1.84375,1.413793103,1,0,0,0,0,0.031695836,2.29E-04,-0.016160245,-0.016864274,0.016947218,0,0,0,0,372.5107969,2.13E-14,-175.5098947,-225.6555789,214.9100751,0,0,0,0,692.6997337,2.42E-13,-326.3681437,-419.6161848,399.6344617,0,0,0,0,0.072972308,5.43E-16,-0.034381183,-0.044204379,0.042099408,0,0,0,0,3.096690107,-1.17E-15,-1.459017454,-1.875879584,1.786551985,0,0,0,0,16.82126981,3.15E-14,-7.925405968,-10.18980767,9.704578737,0,0,0,0,1.807692308,0.211538462,-0.856508876,-1.128698225,0.869822485,0,0,0,0,0.002438141,1.76E-05,-6.73E-04,-5.82E-04,0.001412268,0,0,0,0,28.65467669,1.64E-15,-7.312912279,-7.781226859,17.90917293,0,0,0,0,53.2845949,1.86E-14,-13.59867266,-14.46952361,33.30287181,0,0,0,0,0.005613254,4.18E-17,-0.001432549,-0.001524289,0.003508284,0,0,0,0,0.238206931,-8.97E-17,-0.060792394,-0.064685503,0.148879332,0,0,0,0,1.293943832,2.43E-15,-0.330225249,-0.351372678,0.808714895,0,0,0,0,0.139053254,0.016272189,-0.03568787,-0.038920628,0.072485207,0,0,0,0,0.007237003,-0.276170852,-0.238512299,0.579239673,0,0,0,0,5.72E-17,-0.255208333,-0.271551724,0.625,0,0,0,0,3.49E-16,-0.255208333,-0.271551724,0.625,0,0,0,0,7.44E-15,-0.255208333,-0.271551724,0.625,0,0,0,0,-3.76E-16,-0.255208333,-0.271551724,0.625,0,0,0,0,1.87E-15,-0.255208333,-0.271551724,0.625,0,0,0,0,0.117021277,-0.256648936,-0.279897285,0.521276596,0,0,0,0,1.102152261,1.285721545,1.090524023,0.099125573,0,0,0,0,1.2,1.3,1.075862069,0,0,0,0,0,1.2,1.3,1.075862069,0,0,0,0,0,1.2,1.3,1.075862069,0,0,0,0,0,1.2,1.3,1.075862069,0,0,0,0,0,1.2,1.3,1.075862069,0,0,0,0,0,1.021276596,1.313829787,1.144534116,0,0,0,0,0,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,11.83033946,5.865169728,8.879772264,11.77033946,2.354067891,5.873442411,-0.1,0.177576857,0.035515371,-0.864175883,31.27150805,6.254301611,1.721353699,0,11.9,12.10006119,-0.164711685,0.042369812,6.16983725,6.412469435,5,13,12,12,4,1,1,0,0,1,8.745656,3.620859225,2.457043703,2.327176487,1.172599198,0.757912782,0.083923071,0.083923071,0.083923071,1.68994998,1.654416234,0.677040456,0.635465568,0.259103803,0.083923071,0.083923071,0.083923071,3.64248339,2.497756349,2.379581864,1.290331218,0.892820568,0.270913902,0.270913902,0.270913902,1.621062059,1.600960531,0.54382766,0.490847486,0.091706145,0.270913902,0.270913902,0.270913902,3.738694411,2.681331202,2.611518213,1.756775348,1.420292581,0.943918427,0.943918427,0.943918427,1.450772367,1.416054141,0.107415136,0.007199954,0.492421976,0.943918427,0.943918427,0.943918427,3.658471199,2.528052663,2.41837923,1.374324936,0.988683955,0.399277246,0.399277246,0.399277246,1.576960957,1.567535916,0.45518634,0.393916432,0.022073891,0.399277246,0.399277246,0.399277246,3.78628053,2.772175182,2.723231627,1.955311318,1.641104289,1.207644823,1.207644823,1.207644823,1.406175444,1.351583295,0.042915611,0.163649465,0.711314831,1.207644823,1.207644823,1.207644823,3.703950215,2.599250803,2.434751473,1.477157836,1.168651885,0.588235294,0.588235294,0.588235294,1.590512755,1.45905695,0.323265853,0.27704188,0.207291696,0.588235294,0.588235294,0.588235294,0,0,0,2,0,0,3,0,0,0,0,0.176776695,0,0,0,0,0.11785113,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.535533906,2.5,1.767766953,1.25,0.883883476,0,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0,0,0,3.276020882,2.149829914,1.402308181,0.90824829,0.589255651,0,0,0,0.655204176,0.429965983,0.280461636,0.181649658,0.11785113,0,0,0,7.167311215,12.55134741,11.90196078,12.04,8.194217964,98.85571497,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,1.65269,22.721,14,18.61803399,28,5.6,14.000001,1.11E-16,2.22E-17,-18.36840028,19.22543377,3.845086753,1.478117039,20,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,2,0,2,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.663888889,0,0,0.836111111,0.580555556,0,0.663888889,0,0,0,0,0,0,0,0,0,0,4.027777778,0,4.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331944444,0,0,0.255555556,0.290277778,0,0.331944444,0,0,0,0,0,0,0,0,0,0,1.319444444,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331944444,0,0,0.290277778,0.290277778,0,0.331944444,0,0,0,0,0,0,0,0,0,0,1.388888889,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.5,1.7,0.331944444,2.236111111,0.255555556,1.319444444,3.193611111,0.180555556,0.236111111,0.944444444,0.180555556,0.236111111,0.944444444,2.5,0.5,0,0,0.45385,0.7,0.43333,0.43333,0.7,0.02051,0.02051,0,0,0.71429,0,0,0,0,0,3.5,0.7,2.5,0.5,1,0.2,-1.5,-0.3,0,0,2.91421,0.58284,3.75,0.83579,0.16716,1.95711,0.39142,2.5,0.54289,0.10858,-0.086,-0.0172,0,0,0.384615385,5,0,0,0,0,0,0,0.6,0.961236605,2.045841641,2.469670487,2.469670487,2.469670487,2.469670487,12.49607586,26.59594133,32.10571634,32.10571634,32.10571634,32.10571634,0.259762806,0.552864469,0.667399195,0.667399195,0.667399195,0.667399195,2.739203113,1.654598077,1.230769231,1.230769231,1.230769231,1.230769231,0.252468347,0.537339356,0.648657805,0.648657805,0.648657805,0.648657805,6.796774065,14.32421229,14.75135761,14.75135761,14.75135761,14.75135761,19.35422196,15.59866796,15.43340754,15.43340754,15.43340754,15.43340754,3.2,1.44,0.64,0,2,0,2.01,0.6615,0,0,0,0,7.071067812,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.093,0.088,0.377,0.384,2.565,5,5,5,0,0,0,0,0,0,25,1.945910149,2.079441542,2.197224577,2.302585093,0,0,0,0,0,0,3.583518938,1.4,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,8.618033989,12,2.4,6.006204681,0,0,0,13.96759521,2.793519041,1.318370009,0,80.04346443,3.321928095,3.044522438,3.713572067,4.394449155,5.081404365,5.771441123,6.463029457,7.155396302,7.848153086,8.541105011,62.013073,2.397895273,0,3.433987204,2.397895273,4.615120517,4.262679877,5.860786223,5.888877958,7.147559271,7.6989362,68.06260026,5.235584635,9.6875,1.9375,0,0,0,15,0,2.329,20,1.307421772,2.338722016,3.174417217,4.228503302,0,0,0,0,0,0,98.3406332,97.29960195,24.08891716,4.296429979,0,0,0,0,0,0,342.7945308,416.3991437,256.033555,131.437716,0,0,0,0,0,0,9.569772486,16.78427923,22.07808923,28.40904721,0,0,0,0,0,0,2.501871769,3.358755992,2.669724635,1.880047136,0,0,0,0,0,0,183.7578818,351.0896017,527.1954892,781.9249021,0,0,0,0,0,0,2.861522469,4.380867935,4.569784245,4.228503302,0,0,0,0,0,0,0.515132439,0.704522243,0.583901927,0.432998738,0,0,0,0,0,0,273.8488355,79.68637153,9.618153015,190.9562117,-55.56571968,-9.87138648,82.89262386,135.2520912,19.48953949,0.589169238,0.171440418,0.020692876,0.410830762,-0.119546292,-0.021237692,127.2863209,37.03862768,4.470566066,88.75741097,-25.82722696,-4.588270259,0.195526966,0.302151885,5.718254113,11.65928446,464.8050472,0,1,0,293.7345153,17.13868476,6.647397669,371.6554286,19.27836685,7.189745101,402.18915,20.05465407,7.381480046,1.151022885,1.012539233,151.2400741,84.78170838,76.46624545,1.783876227,1.977867139,1.108746845,3.028578014,3.430406433,4.581102973,0.335440294,2.394536895,1.716704967,5.562929419,7.8741723,3.60744996,7.595450386,5.385121388,2.949763906,3.20E-08,2.25E-37,3.71E-88,1.22E-160,7.79E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.200971372,1.716578428,1.666144685,0.803103081,0.269415205,0.531285181,0.056167488,0.020775428,2.26E-10,1.58E-39,2.61E-90,8.59E-163,5.49E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.64872486,1.71658715,2.446919965,1.601561867,0.851052844,1.784997494,0.442098598,0.216495982,2.35E-09,1.65E-38,2.72E-89,8.96E-162,5.72E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.260248386,1.716691169,5.319191351,7.213143246,3.36781796,7.096396156,4.810605277,2.628186534,2.85E-08,2.00E-37,3.30E-88,1.09E-160,6.94E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.956093593,1.716598217,2.9872451,2.341162119,1.279939687,2.701522385,0.915413683,0.470258202,5.11E-09,3.58E-38,5.91E-89,1.95E-161,1.24E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.891746802,1.716762928,6.471262938,10.5807049,4.534757075,9.518832765,7.794200805,4.301953433,4.67E-08,3.28E-37,5.41E-88,1.78E-160,1.14E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.367613753,1.802875767,3.925140017,3.527280786,2.252042725,4.30231823,1.9044102,1.020679552,1.11E-08,7.78E-38,1.28E-88,4.22E-161,2.70E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.815087021,1.764702996,0.381422245,0.458215036,0.445495692,0.459690922,0.574946159,0.460235192,3.961212262,4.568501049,9.751442901,0.355566092,1.494872273,1.179457438,1.049852074,0.07347322,0.512187894,0.455905831,0.19186788,0.201457431,0.017079103,2.302782732,1.402050385,3.795811761,0.452140587,0.410404414,1.414635865,1.314666435,0.187486239,0.484997745,0.450723944,0.276172504,0.316153337,0.111206184,2.916788539,2.371480913,5.636951538,0.403582535,0.703532025,1.797470513,1.744962214,0.372903696,0.459084564,0.445673635,0.450165316,0.561526116,0.439908159,3.915336424,4.457504385,9.542460012,0.357137297,1.451599591,1.5264102,1.440448135,0.241655959,0.475737385,0.448945525,0.321815471,0.379873121,0.184747357,3.208514294,2.915673721,6.655520529,0.387024366,0.886435949,1.870963793,1.827238939,0.408423788,0.455596287,0.444948897,0.491514656,0.61938656,0.527700138,4.106626519,4.929131862,10.43203592,0.350817775,1.638601354,1.800889577,1.744139754,0.37362662,0.459568178,0.445086217,0.451196602,0.5603276,0.441611128,3.91865595,4.465520428,9.55773875,0.356981594,1.453135329 +UMLKV0117,L,CYCLOHEXENE,C1CCC=CC1,C6H10,Cyclic olefin with a single C=C double bond within the otherwise saturated ring,Cycloalkenes,110-83-8,2.550421257,PubChem,,0.6605,0,0.403,0.162409,25.0454,17.22793,0,0,16,6,10,0,6,0,0,0,0,0,0,0,0,0,875.745366,986.655606,1111.790742,692.207211,137.327904,8.128512,0,0,0,2851.938855,3688.467574,4960.168716,4093.706688,1644.706075,248.6699554,0,0,0,112.427736,116.419416,214.469592,279.188076,178.671744,53.747712,0,0,0,21.17952905,27.8688431,40.78273782,38.19600558,18.24924958,3.556903239,0,0,0,2609.942657,2291.991614,4562.887699,6586.434107,4489.90791,1479.341216,0,0,0,27,32.75,53.5,59.25,33,8,0,0,0,54.73408538,61.66597537,37.0596914,17.30518028,5.281842462,1.016064,0,0,0,178.2461784,230.5292234,165.3389572,102.3426672,63.25792595,31.08374443,0,0,0,7.0267335,7.2762135,7.1489864,6.9797019,6.871990154,6.718464,0,0,0,1.323720566,1.741802694,1.359424594,0.95490014,0.701894215,0.444612905,0,0,0,163.121416,143.2494759,152.0962566,164.6608527,172.6887658,184.917652,0,0,0,1.6875,2.046875,1.783333333,1.48125,1.269230769,1,0,0,0,0.035879452,1.34E-04,-0.01831324,-0.010018029,3.74E-04,0.009884073,0,0,0,453.9975338,3.84E-13,-215.6488285,-136.1992601,-11.34993834,136.1992601,0,0,0,844.2278004,1.28E-13,-401.0082052,-253.2683401,-21.10569501,253.2683401,0,0,0,0.088935,1.38E-15,-0.042244125,-0.0266805,-0.002223375,0.0266805,0,0,0,3.774091068,1.28E-15,-1.792693257,-1.13222732,-0.094352277,1.13222732,0,0,0,20.50092258,5.02E-14,-9.737938226,-6.150276775,-0.512523065,6.150276775,0,0,0,2,0.25,-0.875,-0.75,-0.125,0.5,0,0,0,0.002242466,8.37E-06,-6.10E-04,-2.50E-04,1.44E-05,0.001235509,0,0,0,28.37484586,2.40E-14,-7.188294284,-3.404981503,-0.43653609,17.02490752,0,0,0,52.76423752,7.99E-15,-13.36694017,-6.331708503,-0.8117575,31.65854251,0,0,0,0.005558437,8.60E-17,-0.001408137,-6.67E-04,-8.55E-05,0.003335062,0,0,0,0.235880692,7.98E-17,-0.059756442,-0.028305683,-0.003628934,0.141528415,0,0,0,1.281307661,3.14E-15,-0.324597941,-0.153756919,-0.019712426,0.768784597,0,0,0,0.125,0.015625,-0.029166667,-0.01875,-0.004807692,0.0625,0,0,0,0.003733518,-0.272218804,-0.111685424,0.006406312,0.550960084,0,0,0,8.45E-16,-0.253333333,-0.12,-0.015384615,0.6,0,0,0,1.51E-16,-0.253333333,-0.12,-0.015384615,0.6,0,0,0,1.55E-14,-0.253333333,-0.12,-0.015384615,0.6,0,0,0,3.38E-16,-0.253333333,-0.12,-0.015384615,0.6,0,0,0,2.45E-15,-0.253333333,-0.12,-0.015384615,0.6,0,0,0,0.125,-0.233333333,-0.15,-0.038461538,0.5,0,0,0,1.154792043,1.311020534,1.019188882,0.794976307,0.094471504,0,0,0,1.25,1.333333333,1,0.769230769,0,0,0,0,1.25,1.333333333,1,0.769230769,0,0,0,0,1.25,1.333333333,1,0.769230769,0,0,0,0,1.25,1.333333333,1,0.769230769,0,0,0,0,1.25,1.333333333,1,0.769230769,0,0,0,0,1.0546875,1.3125,1.078125,0.793269231,0,0,0,0,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,21.59580837,9.436456808,14.31225401,21.59580837,3.599301396,9.436862402,-0.111111111,0.145144578,0.024190763,-1.158014968,22.36835534,3.728059223,1.864588351,0,11.9,12.1000824,-0.164817529,0.042219604,6.532585361,6.775229999,6,16,15,15,5,1,1,0,0,1,10.93207,3.613534503,2.766129411,2.670733644,1.426915667,1.280358167,0.745385601,0.083923071,0.083923071,1.956102786,1.306637636,1.289247512,0.613571465,0.574012486,0.259946685,0.083923071,0.083923071,3.635963716,2.800130939,2.714019583,1.523146265,1.388936179,0.882843159,0.270913902,0.270913902,1.904564498,1.216636457,1.211610963,0.471095317,0.422928919,0.092720276,0.270913902,0.270913902,3.735659072,2.952913657,2.905601615,1.920183444,1.829282018,1.415929732,0.943918427,0.943918427,1.755782541,0.983897868,0.943775969,0.006408762,0.090576956,0.490411682,0.943918427,0.943918427,3.652542714,2.825381442,2.746030809,1.592839035,1.467119469,0.980162006,0.399277246,0.399277246,1.871998278,1.162145352,1.158511608,0.37555048,0.321126922,0.020920637,0.399277246,0.399277246,3.784885575,3.028693114,2.99852718,2.095780148,2.020397398,1.637930713,1.207644823,1.207644823,1.710226487,0.913781604,0.857043734,0.175873707,0.276154994,0.708677935,1.207644823,1.207644823,3.70535128,2.898715639,2.750631765,1.693321354,1.575987379,1.172323917,0.6,0.6,1.83694185,1.119307666,1.046222152,0.22999262,0.183294425,0.21942738,0.6,0.6,0,0,0,2,0,0,4,0,0,0,0,0,0.125,0,0,0,0,0.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,3.983127663,2.649829914,1.755861571,1.15824829,0.760079655,0.5,0,0,0.663854611,0.441638319,0.292643595,0.193041382,0.126679943,0.083333333,0,0,8.709139019,15.43918427,14.62745098,14.8,9.992772455,121.8839701,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,2.04279,27.338,21,27,42,7,21,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,36,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,4,2,0,2,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.534722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.632638889,0,0,1.067361111,0.580555556,0,0.632638889,0,0,0,0,0,0,0,0,0,0,5.465277778,0,4.534722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.243402778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,0,0,1.319444444,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.290277778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,0,0,1.413194444,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,1.666666667,0.316319444,2.267361111,0.243402778,1.319444444,3.903986111,0.180555556,0.267361111,1.069444444,0.180555556,0.267361111,1.069444444,3,0.5,0,0,0.45,0.7,0.43333,0.43333,0.7,0.01667,0.01667,0,0,0.71429,0,0,0,0,0,4,0.66667,3,0.5,1,0.16667,-2,-0.33333,0,0,4.06658,0.67776,5,0.93342,0.15557,2.45711,0.40952,3,0.54289,0.09048,-0.086,-0.01433,0,0,0.375,6,0,0,0,0,0,0,0.666666667,0.954434003,2,2.5,2.5,2.5,2.5,15.27094405,32,40,40,40,40,0.238608501,0.5,0.625,0.625,0.625,0.625,3.045565997,2,1.5,1.5,1.5,1.5,0.233502796,0.489301084,0.611626355,0.611626355,0.611626355,0.611626355,6.794779896,14.3818469,14.88575942,14.88575942,14.88575942,14.88575942,23.34095565,18.25,18.25,18.25,18.25,18.25,4.166666667,2.222222222,1.333333333,0,2,0,2.12,0.8024,0,0,0,0,9.125465128,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.093,0.088,0.377,0.384,3.064,6,6,6,6,0,0,0,0,0,36,2.079441542,2.197224577,2.302585093,2.397895273,2.48490665,0,0,0,0,0,3.951243719,1.416666667,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,13,18,3,9.000420062,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,0,97.33944905,3.584962501,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,65.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921172722,82.07825032,5.129890645,11.8125,1.96875,0,0,0,27,3,2.898,24,1.286936261,2.275065463,3.045601428,3.84949883,4.532904867,0,0,0,0,0,93.9252279,94.06960818,53.8150092,19.94454114,4.60572145,0,0,0,0,0,330.7071423,402.474825,321.5908996,240.5855778,140.8996564,0,0,0,0,0,9.410629108,16.31781763,21.30693373,26.43975728,30.45415816,0,0,0,0,0,2.426230269,3.248692958,2.989133528,2.678545282,2.015388,0,0,0,0,0,181.4513105,342.2803903,497.5287393,665.877226,838.2141248,0,0,0,0,0,2.737411054,4.165488916,4.597849607,4.852030788,4.532904867,0,0,0,0,0,0.500046334,0.681569136,0.643190798,0.593103484,0.464169458,0,0,0,0,0,242.435527,83.40823319,8.511748464,52.8651831,-18.18789339,-4.081485751,189.5703439,101.5961266,12.59323421,0.820978476,0.282451854,0.028824003,0.179021524,-0.061591093,-0.013821456,71.59138327,24.63051049,2.513525365,15.61112611,-5.370897834,-1.20526564,0.165373633,0.25558303,4.163263164,7.065174885,295.3007101,0,1,0,361.2160785,19.00568542,7.12178772,458.5110639,21.41287145,7.711104817,536.3589506,23.15942466,8.124909099,1.591158247,1.138944581,211.8600743,127.6170743,109.9160316,1.660123267,1.927472009,1.1610415,3.317739965,3.820078341,5.196394925,0.360284911,2.952467598,2.263616531,3.443858116,12.12771831,9.317275169,6.9358737,7.159935865,2.410155523,1.266887611,1.19E-04,9.14E-29,1.57E-74,5.30E-142,3.45E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.247913349,2.263447887,0.379470893,3.666571163,3.904138074,0.491047765,0.360400875,0.016975429,0.008922793,8.40E-07,6.44E-31,1.11E-76,3.73E-144,2.43E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.79997053,2.263459501,0.985108747,4.898160853,4.60084078,1.645145652,1.321879013,0.17689308,0.092982383,8.75E-06,6.71E-30,1.16E-75,3.89E-143,2.53E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.786896725,2.263598138,3.249229565,11.43443763,8.841467136,6.484218024,6.592808645,2.147405529,1.128774053,1.06E-04,8.14E-29,1.40E-74,4.72E-142,3.07E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.178940479,2.263474247,1.406759638,5.890735988,5.200318464,2.485329129,2.108526014,0.384234162,0.201970161,1.90E-05,1.46E-29,2.51E-75,8.45E-143,5.50E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.565502017,2.263693796,4.172460898,14.89365929,11.24295583,8.67299328,9.431048075,3.514983669,1.847636516,1.74E-04,1.33E-28,2.30E-74,7.73E-142,5.03E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.724264565,2.043236862,2.398474834,7.423130172,6.508416274,3.791344942,3.597253837,0.867657208,0.45607954,4.29E-05,3.29E-29,5.67E-75,1.91E-142,1.24E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.006735584,1.859520329,0.523146333,0.457177418,0.423638624,0.451826091,0.512962296,0.309917736,4.389402245,5.754183214,12.09574032,0.321224063,1.274706122,1.413652651,1.182850501,0.156335159,0.513525493,0.429683972,0.224206395,0.207605264,0.027297005,2.752838311,2.07806448,5.092317025,0.414814198,0.459108664,1.635970335,1.436577288,0.294004789,0.485948274,0.426720607,0.300181725,0.306152154,0.097148349,3.366552413,3.253541544,7.311063373,0.369003322,0.703482228,1.990639793,1.841170618,0.513210115,0.458142782,0.423742674,0.444581904,0.502882376,0.298176079,4.345020526,5.631631359,11.85762213,0.322828185,1.245640359,1.740454894,1.555805948,0.358633677,0.476198392,0.425677387,0.339734953,0.359062645,0.144905715,3.654894519,3.889960222,8.515966625,0.352813669,0.843703314,2.057642801,1.917545608,0.554565088,0.454250502,0.423322287,0.47514535,0.545501506,0.34855026,4.529753497,6.150124626,12.8679834,0.316359183,1.369197116,1.997472511,1.840329017,0.51400663,0.458998292,0.42288836,0.447573162,0.502434673,0.299144436,4.351808158,5.648662054,11.88996199,0.322829979,1.249152271 +UMLKV0118,L,CYCLOPENTADIENE,C1C=CC=C1,C5H6,Cyclic olefin with a single C=C double bond within the otherwise saturated ring,,542-92-7,2.369074834,PubChem,,0.3094,0,0.998,0.996004,25.5026,12.800758,0,0,11,5,6,0,5,0,0,0,0,0,0,0,0,0,727.416989,793.963133,867.621725,152.397504,7.112448,0,0,0,0,2304.086975,2806.004207,3525.50765,1594.425607,217.586211,0,0,0,0,78.013364,80.408372,129.832628,132.440832,47.029248,0,0,0,0,16.61217743,20.62576586,27.75164462,16.47482205,3.112290334,0,0,0,0,1743.477693,1552.707067,2656.360005,3131.894137,1294.423564,0,0,0,0,24.25,29,42,30,7,0,0,0,0,66.12881718,72.17846664,48.20120694,8.020921263,1.016064,0,0,0,0,209.4624523,255.0912915,195.8615361,83.91713723,31.08374443,0,0,0,0,7.092124,7.309852,7.212923778,6.970570105,6.718464,0,0,0,0,1.510197948,1.875069624,1.541758035,0.867095898,0.444612905,0,0,0,0,158.4979721,141.1551879,147.5755558,164.8365335,184.917652,0,0,0,0,2.204545455,2.636363636,2.333333333,1.578947368,1,0,0,0,0,0.038385726,-0.001000188,-0.018250679,-0.018915241,0.018973244,0,0,0,0,330.1800245,-1.42E-14,-155.084557,-185.1009229,175.0954676,0,0,0,0,613.9838548,2.13E-13,-288.3863561,-344.2030701,325.5974988,0,0,0,0,0.06468,5.20E-16,-0.03038,-0.03626,0.0343,0,0,0,0,2.744793504,-1.28E-15,-1.289221191,-1.538747874,1.455572313,0,0,0,0,14.90976188,2.98E-14,-7.003069973,-8.358502871,7.906691905,0,0,0,0,2.409090909,0.113636364,-1.169421488,-1.320247934,1.171487603,0,0,0,0,0.003489611,-9.09E-05,-0.001013927,-9.96E-04,0.002710463,0,0,0,0,30.01636587,-1.29E-15,-8.615808721,-9.742153834,25.01363822,0,0,0,0,55.81671408,1.94E-14,-16.02146423,-18.11595106,46.5139284,0,0,0,0,0.00588,4.73E-17,-0.001687778,-0.001908421,0.0049,0,0,0,0,0.249526682,-1.16E-16,-0.0716234,-0.08098673,0.207938902,0,0,0,0,1.355432898,2.70E-15,-0.389059443,-0.439921204,1.129527415,0,0,0,0,0.219008264,0.010330579,-0.06496786,-0.069486733,0.167355372,0,0,0,0,-0.02605624,-0.290555721,-0.285286483,0.776723542,0,0,0,0,-4.30E-17,-0.287037037,-0.324561404,0.833333333,0,0,0,0,3.47E-16,-0.287037037,-0.324561404,0.833333333,0,0,0,0,8.05E-15,-0.287037037,-0.324561404,0.833333333,0,0,0,0,-4.65E-16,-0.287037037,-0.324561404,0.833333333,0,0,0,0,2.00E-15,-0.287037037,-0.324561404,0.833333333,0,0,0,0,0.047169811,-0.296645702,-0.317279047,0.764150943,0,0,0,0,0.996870989,1.245779149,1.117965934,0.052720243,0,0,0,0,1,1.222222222,1.157894737,0,0,0,0,0,1,1.222222222,1.157894737,0,0,0,0,0,1,1.222222222,1.157894737,0,0,0,0,0,1,1.222222222,1.157894737,0,0,0,0,0,1,1.222222222,1.157894737,0,0,0,0,0,0.943396226,1.268343816,1.146971202,0,0,0,0,0,9.62054032,4.81027016,7.428304149,9.62054032,1.924108064,4.833017639,-1.78E-15,3.33E-16,6.66E-17,-17.81909414,2000006.919,400001.3839,7.254330599,9.62054032,4.81027016,7.428304149,9.62054032,1.924108064,4.833017639,-1.78E-15,3.33E-16,6.66E-17,-17.81909414,2000006.919,400001.3839,7.254330599,9.62054032,4.81027016,7.428304149,9.62054032,1.924108064,4.833017639,-1.78E-15,3.33E-16,6.66E-17,-17.81909414,2000006.919,400001.3839,7.254330599,9.62054032,4.81027016,7.428304149,9.62054032,1.924108064,4.833017639,-1.78E-15,3.33E-16,6.66E-17,-17.81909414,2000006.919,400001.3839,7.254330599,9.62054032,4.81027016,7.428304149,9.62054032,1.924108064,4.833017639,-1.78E-15,3.33E-16,6.66E-17,-17.81909414,2000006.919,400001.3839,7.254330599,9.62054032,4.81027016,7.428304149,9.62054032,1.924108064,4.833017639,-1.78E-15,3.33E-16,6.66E-17,-17.81909414,2000006.919,400001.3839,7.254330599,10.53766741,5.086188389,7.865563444,10.52433408,2.104866815,5.104545384,-0.066666667,0,0,0,2000007.898,400001.5796,7.254330844,0,11.8,12.2000303,-0.273112479,0.127188109,6.161157018,6.565168448,5,11,9,9,3,2,2,0,0,2,6.559242,3.667553189,2.426821709,2.197250276,0.832506146,0.679380678,0.083923071,0.214869462,0.342898638,1.622825513,1.595457607,0.607845426,0.342898638,0.214869462,0.083923071,0.679380678,0.832506146,3.684026951,2.457362652,2.247566164,0.961630182,0.820279949,0.270913902,0.043564548,0.186448751,1.564090626,1.549366047,0.472826418,0.186448751,0.043564548,0.270913902,0.820279949,0.961630182,3.75804736,2.602811579,2.474115979,1.471018255,1.366485912,0.943918427,0.558628764,0.341106848,1.422567485,1.397041684,0.033013394,0.341106848,0.558628764,0.943918427,1.366485912,1.471018255,3.69624093,2.480489252,2.285044829,1.053690909,0.920086984,0.399277246,0.073150218,0.081212006,1.527166285,1.520809738,0.383128865,0.081212006,0.073150218,0.399277246,0.920086984,1.053690909,3.795188656,2.67944162,2.585009677,1.686053834,1.593259861,1.207644823,0.786651143,0.528203203,1.385615038,1.346925969,0.116957127,0.528203203,0.786651143,1.207644823,1.593259861,1.686053834,3.716556031,2.547412463,2.264985939,1.15084209,1.03162355,0.526315789,0.192369689,0.031534905,1.541164691,1.452676181,0.309904847,0.031534905,0.192369689,0.526315789,1.03162355,1.15084209,0,0,0,4,0,0,1,0,0,0,0,0.176776695,0,0,0,0,0.07856742,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.535533906,2.5,1.767766953,1.25,0.883883476,0,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0,0,0,3.016507858,1.816496581,1.092006961,0.655442165,0.392837101,0,0,0,0.603301572,0.363299316,0.218401392,0.131088433,0.07856742,0,0,0,6.625483411,10.66351056,10.17647059,10.28,7.395663473,82.57015449,0.602316674,0.969410051,0.92513369,0.934545455,0.672333043,7.506377681,1.35488,22.357,14,18.61803399,28,5.6,14.000001,1.11E-16,2.22E-17,-18.36840028,19.22543377,3.845086753,1.478117039,20,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,1,0,4,0,0,0,0,0,0,0,0,0,0,1,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.619444444,0,0,0,0.380555556,0,1.619444444,0,0,0,0,0,0,0,0,0,0,1.138888889,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.3875,0,0,0,0.380555556,0,0.3875,0,0,0,0,0,0,0,0,0,0,1.138888889,0,2.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,0,0,0.380555556,0,0.422222222,0,0,0,0,0,0,0,0,0,0,1.138888889,0,2.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.5,1.9,0.422222222,2.125,0.380555556,1.138888889,2.890055556,0.361111111,0.125,0.722222222,0.361111111,0.125,0.722222222,2.5,0.5,0,0,0.48182,0.7,0.43333,0.43333,0.7,0.04848,0.04848,0,0,0.71429,0,0,0,0,0,5.5,1.1,2.5,0.5,3,0.6,0.5,0.1,0,0,1.84868,0.36974,3.75,1.90132,0.38026,1.23246,0.24649,2.5,1.26754,0.25351,-0.086,-0.0172,0,0,0.454545455,5,0,0,0,0,0,0,0.2,0.994030211,2.186704346,2.55034071,2.55034071,2.55034071,2.55034071,10.93433233,24.05374781,28.05374781,28.05374781,28.05374781,28.05374781,0.28733917,0.632099312,0.737213794,0.737213794,0.737213794,0.737213794,2.465401407,1.272727273,0.909090909,0.909090909,0.909090909,0.909090909,0.26862489,0.590930947,0.689199367,0.689199367,0.689199367,0.689199367,6.685280239,15.49151432,15.85799615,15.85799615,15.85799615,15.85799615,18.37331062,15.63617634,15.30204426,15.30204426,15.30204426,15.30204426,3.2,1.44,0.64,0,4,0,2.01,0.6185,0,0,0,0,7.071067812,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.115,0.112,0.477,0.52,2.505,5,5,5,0,0,0,0,0,0,25,2.079441542,2.302585093,2.564949357,2.833213344,0,0,0,0,0,0,3.912023005,1.96,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,8.618033989,12,2.4,6.006204681,0,0,0,13.96759521,2.793519041,1.318370009,0,77.40700573,3.321928095,3.044522438,3.713572067,4.394449155,5.081404365,5.771441123,6.463029457,7.155396302,7.848153086,8.541105011,62.013073,2.397895273,0,3.433987204,2.397895273,4.615120517,4.262679877,5.860786223,5.888877958,7.147559271,7.6989362,66.04695019,6.004268199,9.6875,1.9375,0,0,0,15,0,2.074,20,1.244407197,2.197825853,3.026067712,4.182732976,0,0,0,0,0,0,99.86866233,109.3267203,25.7809415,4.249924399,0,0,0,0,0,0,340.9171812,439.607417,265.3210956,130.0150029,0,0,0,0,0,0,9.128588657,15.87127804,21.14772958,28.10154092,0,0,0,0,0,0,2.460744665,3.44263887,2.714908475,1.859697059,0,0,0,0,0,0,173.6525284,323.0451618,494.4803382,773.461161,0,0,0,0,0,0,3.402685203,5.186608955,4.897622834,4.182732976,0,0,0,0,0,0,0.505599503,0.718170762,0.59157297,0.428311857,0,0,0,0,0,0,179.5646658,55.28408616,9.194608437,93.30814888,-28.72756575,-5.64981386,86.25651692,84.01165191,14.8444223,0.658052602,0.202600198,0.033695582,0.341947398,-0.105278226,-0.020704935,48.99831577,15.0855242,2.508958684,25.46125722,-7.838971724,-1.54168061,0.199585414,0.260744154,5.836944841,5.403834276,272.8728147,0,1,0,363.0319831,19.0533982,7.133701989,422.0034487,20.54272253,7.500761101,501.1588456,22.38657735,7.943132371,1.133512128,1.048099936,114.7216476,59.87829147,58.17281505,1.915913845,1.972083481,1.029317412,2.647276617,3.35080253,4.40119956,0.313476256,2.000046889,2.526586398,0.919070024,1.262229075,3.696185317,1.050895639,3.295245943,0.687421678,2.85E-16,3.70E-53,9.72E-112,4.95E-192,4.87E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.167859467,2.526543846,0.077225862,0.123608814,0.308597818,0.088194389,0.023208687,0.004841567,2.01E-18,2.60E-55,6.84E-114,3.49E-194,3.43E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.541847981,2.52654683,0.244183682,0.201304259,0.997243949,0.284702238,0.241852409,0.050452862,2.09E-17,2.71E-54,7.13E-113,3.64E-193,3.58E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.887881688,2.526581776,0.865806361,1.137788314,3.487797523,0.991959758,2.936004809,0.61248034,2.54E-16,3.29E-53,8.66E-112,4.41E-192,4.34E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.798579371,2.526550571,0.36024412,0.300579681,1.470819016,0.419598716,0.525335749,0.109590358,4.55E-17,5.89E-54,1.55E-112,7.90E-193,7.77E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.415344142,2.526605803,1.118241779,1.785124959,4.468889348,1.269108678,4.805806516,1.002539913,4.16E-16,5.39E-53,1.42E-111,7.22E-192,7.11E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.030807127,2.277282755,0.499739845,0.445046473,2.041987185,0.558975927,0.912810511,0.190421518,7.90E-17,1.02E-53,2.69E-112,1.37E-192,1.35E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.646769263,1.53316925,0.150158338,0.494510922,0.460397796,0.56623166,0.462128292,0.181815026,3.330096851,3.002270278,6.711483296,0.432363076,1.210174978,0.881312778,0.869428492,0.025188273,0.49625436,0.489562491,0.150020099,0.156808078,0.005116061,1.775929544,0.81033659,2.605566357,0.478725276,0.311944237,1.133241594,1.101845585,0.067539856,0.492151606,0.478516741,0.26808059,0.239667391,0.036783705,2.302627035,1.399614714,3.78657588,0.456002521,0.544531686,1.622223093,1.512558716,0.146209804,0.494430734,0.461006578,0.549478585,0.449812919,0.172378864,3.280991614,2.912043514,6.551791248,0.433155969,1.171670368,1.267686177,1.214824659,0.089174764,0.492939797,0.472384594,0.33554431,0.290672939,0.064123577,2.571685599,1.761393744,4.470409945,0.447986587,0.690340826,1.725909704,1.599619546,0.162888894,0.49475425,0.45855155,0.62195895,0.502973903,0.213950517,3.488418143,3.302490677,7.240612298,0.4299587,1.33888337,1.619455252,1.513634795,0.145982148,0.493876059,0.461604596,0.547610813,0.450614036,0.171842437,3.279072195,2.908639034,6.545551987,0.433220982,1.170067287 +UMLKV0119,L,DICYCLOPENTADIENE,C1C=CC2C1C3CC2C=C3,C10H12,Cyclic olefin with a single C=C double bond within the otherwise saturated ring,bicyclic compounds,77-73-6,3.100011541,PubChem,,0.8146,0,0.1078,0.01162084,42.3493,25.601516,0,0,22,10,12,0,10,0,0,0,0,0,0,0,0,0,1454.833978,1876.454508,2937.78477,1979.503018,1049.399405,161.54208,7.112448,0,0,4608.173951,6459.042217,10898.09698,9666.183432,5763.093529,1874.179307,217.586211,0,0,156.026728,175.897776,348.459912,488.95876,383.60498,192.907008,47.029248,0,0,33.22435486,46.82933172,82.26866649,82.88521181,52.89843037,20.4763382,3.112290334,0,0,3486.955385,3359.002846,6939.56505,10810.89554,9084.976774,4796.153005,1294.423564,0,0,39.61111111,49.66666667,89.66666667,111.4166667,84.83333333,39,7,0,0,66.12881718,78.1856045,61.20384938,28.68844954,19.07998918,5.76936,1.016064,0,0,209.4624523,269.1267591,227.0436871,140.089615,104.7835187,66.93497526,31.08374443,0,0,7.092124,7.329074,7.2595815,7.086358841,6.974636,6.889536,6.718464,0,0,1.510197948,1.951222155,1.713930552,1.201234954,0.961789643,0.731297793,0.444612905,0,0,158.4979721,139.9584519,144.5742719,156.6796456,165.1813959,171.2911787,184.917652,0,0,1.800505051,2.069444444,1.868055556,1.6147343,1.542424242,1.392857143,1,0,0,0.053883271,-0.001727711,-0.021858794,-0.017040043,0.015121768,-0.017919597,0.016482741,0,0,660.3600491,72.03927808,-142.0774651,-530.2891303,55.03000409,40.02182116,175.0954676,0,0,1227.96771,133.9601138,-264.1991133,-986.095282,102.3306425,74.42228543,325.5974988,0,0,0.12936,0.014112,-0.027832,-0.10388,0.01078,0.00784,0.0343,0,0,5.489587008,0.598864037,-1.181092962,-4.408304719,0.457465584,0.332702243,1.455572313,0,0,29.81952376,3.253038955,-6.415715717,-23.9459812,2.484960313,1.807243864,7.906691905,0,0,3.121212121,0.180899908,-1.362947658,-1.233700643,1.121212121,-0.846189164,0.580119376,0,0,0.00244924,-7.20E-05,-4.55E-04,-2.47E-04,2.75E-04,-6.40E-04,0.002354677,0,0,30.01636587,3.001636587,-2.95994719,-7.685349715,1.000545529,1.429350756,25.01363822,0,0,55.81671408,5.581671408,-5.504148194,-14.29123597,1.860557136,2.657938766,46.5139284,0,0,0.00588,5.88E-04,-5.80E-04,-0.001505507,1.96E-04,2.80E-04,0.0049,0,0,0.249526682,0.024952668,-0.024606103,-0.063888474,0.008317556,0.011882223,0.207938902,0,0,1.355432898,0.13554329,-0.133660744,-0.347043206,0.045181097,0.064544424,1.129527415,0,0,0.141873278,0.007537496,-0.028394743,-0.017879719,0.020385675,-0.030221042,0.082874197,0,0,-0.029391962,-0.185931807,-0.100830128,0.112255755,-0.261299711,0.961391151,0,0,0.1,-0.098611111,-0.256038647,0.033333333,0.047619048,0.833333333,0,0,0.1,-0.098611111,-0.256038647,0.033333333,0.047619048,0.833333333,0,0,0.1,-0.098611111,-0.256038647,0.033333333,0.047619048,0.833333333,0,0,0.1,-0.098611111,-0.256038647,0.033333333,0.047619048,0.833333333,0,0,0.1,-0.098611111,-0.256038647,0.033333333,0.047619048,0.833333333,0,0,0.053128371,-0.200141586,-0.126025984,0.14368932,-0.213014332,0.584142395,0,0,1.028621818,1.071985823,0.976488537,0.880529769,1.373247504,0.085711492,0,0,0.9625,1.122916667,1.199637681,0.875,0.825,0,0,0,0.9625,1.122916667,1.199637681,0.875,0.825,0,0,0,0.9625,1.122916667,1.199637681,0.875,0.825,0,0,0,0.9625,1.122916667,1.199637681,0.875,0.825,0,0,0,0.9625,1.122916667,1.199637681,0.875,0.825,0,0,0,0.996763754,1.127199636,1.021141128,0.858009709,1.261529126,0,0,0,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,51.07126949,23.65962904,36.14011418,51.0023806,5.10023806,23.65962904,-0.344444444,0.021131425,0.002113142,-3.856994031,47.71653426,4.771653426,3.865277968,0,11.8,12.20008287,-0.284116548,0.115994747,7.229990757,9.563653879,12,24,22,22,10,2,2,0,0,2,13.118484,3.924496123,3.334613846,2.619821451,2.513840825,2.148760675,1.952541824,0.916951974,0.848037925,1.83925593,1.735673169,1.509079677,1.310682496,0.644706107,0.585467999,0.359940978,0.330305947,3.938686808,3.354604103,2.649603633,2.548081358,2.194899589,2.007323963,1.037117756,0.973891901,1.800157868,1.685243917,1.445094537,1.247225664,0.515559101,0.448458557,0.205029689,0.171928522,4.00178965,3.4458246,2.789508727,2.708396636,2.405086451,2.254546524,1.520803052,1.475676956,1.692254405,1.542769424,1.263268085,1.069354187,0.102621805,7.93E-04,0.316106163,0.365957075,3.949170337,3.369505515,2.672048999,2.573877882,2.229389283,2.048198198,1.123485477,1.064033653,1.775934004,1.653641406,1.404848413,1.207536974,0.430303631,0.357328503,0.100920638,0.065166415,4.033123113,3.492284326,2.862276356,2.791046315,2.509509028,2.375187786,1.728371358,1.689050719,1.660503916,1.500197419,1.209026818,1.017010369,0.034743609,0.152256589,0.500539769,0.558989443,3.944004565,3.49762675,2.704301905,2.630116164,2.249648149,2.0955655,1.28071553,1.214926233,1.79637798,1.638191713,1.325339285,1.080819941,0.288129307,0.240439249,0.056814303,0.100637309,0,0,0,4,0,0,2,4,0,0,0,0.314269681,0.549943305,0.995781916,0,0,0.23570226,0.410119041,0.664934689,0.60549886,0,0.191638319,0,0.519359402,0,0.146277398,0,1.783239899,3.238492022,3.743456942,1.406276641,2.328372981,2.432082526,6.552041764,4.949489743,4.591824721,4.349603133,4.018442913,2.638605413,1.78720836,1.047137179,0.655204176,0.412457479,0.255101373,0.161096412,0.103036998,0.065965135,0.044680209,0.029918205,6.033015716,4.299659829,3.853371151,3.455101994,2.972928357,1.802560446,1.104858789,0.581431086,0.603301572,0.358304986,0.214076175,0.127966741,0.076228932,0.045064011,0.02762147,0.016612317,13.25096682,21.32702112,20.35294118,20.56,14.79132695,165.140309,0.602316674,0.969410051,0.92513369,0.934545455,0.672333043,7.506377681,2.23698,40.934,69.06457753,80.68215568,138.1291551,13.81291551,69.06457753,0.106208875,0.010620887,-2.242347608,63.62998505,6.362998505,4.153084822,84,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,6,4,0,4,0,0,0,0,0,0,0,0,0,0,2,0,4,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.695092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.115069444,0,0,1.884930556,1.304791667,0,1.115069444,0,0,0,0,0,0,0,0,0,0,2.815324074,0,9.695092593,0,3.822916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.376481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,0.281180556,0.315902778,0,0.272916667,0,0,0,0,0,0,0,0,0,0,1.357314815,0,2.376481481,0,0.924768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.443287037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,0.333680556,0.333680556,0,0.290694444,0,0,0,0,0,0,0,0,0,0,1.458009259,0,2.443287037,0,1.009259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.33333333,1.633333333,0.333680556,2.443287037,0.272916667,0.924768519,5.696351713,0.408564815,0.443287037,3.390185185,0.408564815,0.443287037,3.390185185,5,0.5,0,0,0.48182,0.7,0.45385,0.45385,0.7,0.02797,0.02797,0,0,0.71429,0,0,0,0.4,0,8,0.8,6,0.6,2,0.2,-4,-0.4,0,0,8.413,0.8413,10.7571,2.3441,0.23441,3.9443,0.39443,4.94947,1.00516,0.10052,-0.03547,-0.00355,0.22253,0.02225,0.454545455,54,0,0,0,0,0,0,0.6,0.994030211,2.42511855,3.481714573,3.970573096,4.186704346,4.277613437,21.86866465,53.35260811,76.59772061,87.35260811,92.10749561,94.10749561,0.222905136,0.543817858,0.780752991,0.890376495,0.938842593,0.959228396,3.465401407,2.034313068,0.977717046,0.488858523,0.272727273,0.181818182,0.211476005,0.515934401,0.740721035,0.844723756,0.890704827,0.910045377,6.685280239,18.35248477,23.41450322,25.28365096,26.50076208,26.59238254,36.74662124,27.47050302,19.99424877,16.95099589,15.26525756,15.04167286,5.625,1.777777778,0.614540466,0,2,0,2.56,1.1058,0,0,0,0,6.137143265,12.89483918,0,4.242640687,0,0,0,0,0,0,0,0,0,0,0,0.003,0.159,0.192,0.621,0.876,4.8,18,27,39,40,40,35,25,10,0,256,2.708050201,3.135494216,3.610917913,4.077537444,4.234106505,4.418840608,4.48863637,4.394449155,3.713572067,0,6.212606096,1.9453125,0.25,3,0,0,3,0,0,0,0,0,0,0,0,3,0,0,1,0,1,1,0,0,0,0,6,0,3,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,4,0.333333333,1.5,1.333333333,0.375,0.097222222,0,0,0,0,0,0,0.125,0.074074074,0.0375,0.019444444,0,0,0,0,0,0,0.256018519,19.93805946,28.6921748,39.87611892,3.987611892,19.93805947,0.04889705,0.004889705,-3.018038216,55.07549411,5.507549411,4.008704864,0,139.1740115,4.321928095,4.110873864,5.017279837,5.937536205,6.857514063,7.78113851,8.703672758,9.627536403,10.55072168,11.47450683,92.06078015,3.218875825,0,4.574710979,3.433987204,6.137727054,5.777652323,7.806696373,7.867488569,9.535679436,9.896211144,132.0939004,6.004268199,21.19820746,2.119820746,0,0,0,98,10,3.722,60,1.294802911,2.240524453,3.024818184,3.881970769,4.606541731,5.59407332,0,0,0,0,113.512529,142.8446017,92.92683832,78.38719007,27.90389255,5.683936514,0,0,0,0,377.152249,523.0695464,443.6552599,418.8628046,318.3482297,173.8847454,0,0,0,0,9.52899289,16.28996976,21.48952899,27.10177977,31.78469748,37.58358021,0,0,0,0,2.682091109,3.921875463,3.76218156,3.806736152,3.448794696,2.487197189,0,0,0,0,178.7726836,322.2620301,469.8628409,639.3417605,785.2555242,1034.442904,0,0,0,0,2.738538277,4.231765869,4.984330498,6.074802123,6.53404671,5.59407332,0,0,0,0,0.549500388,0.811740153,0.796435287,0.817063227,0.759828729,0.572833108,0,0,0,0,280.48545,135.2200598,11.85318594,52.8651831,-25.48593241,-3.853047669,227.6202669,160.7059922,15.70623361,0.841412681,0.405639127,0.035557712,0.158587319,-0.076453829,-0.011558543,93.50000234,45.07569254,3.951267039,17.62264226,-8.495751703,-1.28441588,0.118650558,0.181178447,3.233745428,1.424454457,333.3506331,0,1,0,798.2621948,28.2535342,9.27645098,915.355877,30.25484882,9.70949535,1458.555464,38.19103906,11.34072927,1.137435863,1.092239603,425.5866821,370.8312794,160.1954003,1.147655836,2.656672298,2.31486846,3.736637101,3.885360026,6.5637765,0.689361206,3.673549246,6.735196842,4.943847362,14.88133977,11.67192746,10.56587754,12.11719505,6.538914105,3.464155767,1.353063282,0.973306239,1.506282188,5.44E-09,8.58E-39,2.61E-90,1.53E-163,1.73E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0.308395649,6.735106184,2.360527956,7.131649475,2.041998401,0.787183567,1.221154059,0.539836973,0.091037989,0.106986065,0.006859064,0.010608869,3.83E-11,6.04E-41,1.84E-92,1.08E-165,1.22E-260,0,0,0,0,0,0,0,0,0,0,0,0,0,0.995295241,6.735113285,2.810919164,8.232885185,3.625765573,2.383210716,2.515707091,1.229996346,0.425452732,0.349691348,0.07144542,0.11055259,3.99E-10,6.30E-40,1.91E-91,1.12E-164,1.27E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,3.467536954,6.735187257,4.758486878,14.23687431,10.94728418,9.825721638,11.12129926,5.982608901,3.132383346,1.272659486,0.867201083,1.342070311,4.85E-09,7.64E-39,2.32E-90,1.36E-163,1.54E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,1.466830276,6.735121545,3.142937558,9.131561326,4.826368077,3.597605389,3.680383135,1.862437652,0.760160709,0.519758748,0.155179183,0.240134999,8.68E-10,1.37E-39,4.16E-91,2.44E-164,2.76E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,4.436320036,6.73523691,5.661050438,17.46056721,14.50835799,13.46701712,16.17793108,8.813309416,4.834797301,1.655440124,1.419462666,2.196771009,7.94E-09,1.25E-38,3.80E-90,2.23E-163,2.52E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,2.266222565,5.935681891,3.346708405,9.994808557,7.004371959,5.169966372,6.376014055,3.620831256,1.623194379,0.981768783,0.364857273,0.564620562,2.04E-09,3.22E-39,9.78E-91,5.73E-164,6.49E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,3.013545021,1.499532961,0.880652545,0.558712566,0.278014067,0.484704816,0.534890439,0.360870448,5.393730528,8.493363701,17.8666839,0.338068848,1.380465702,2.411238129,0.813944645,0.403121264,0.664563417,0.224331984,0.31133452,0.159080373,0.075010117,3.628304039,3.262754121,7.682229743,0.496845125,0.545425011,2.613348363,1.047973467,0.565274103,0.618310433,0.247947399,0.364978043,0.264592604,0.14825379,4.226595933,4.808370158,10.58309344,0.42746565,0.777824437,2.994232163,1.478116916,0.865601298,0.560932933,0.276907204,0.478499587,0.520346063,0.348638401,5.337950377,8.29709638,17.46604681,0.3413994,1.34748405,2.717369792,1.166895179,0.647962868,0.599566017,0.257466134,0.394340346,0.327778664,0.195081175,4.532227839,5.687745181,12.27458922,0.399349025,0.917200185,3.07594363,1.568461583,0.929167345,0.551880073,0.281410454,0.505059355,0.582694529,0.401708838,5.573572558,9.139929075,19.19626895,0.327820109,1.489462721,3.016533864,1.480804817,0.865833883,0.562453255,0.276106129,0.485297735,0.523208393,0.348252554,5.363172564,8.360846088,17.59161018,0.343679882,1.356758682 +UMLKV0120,L,ALPHA-PINENE,CC1=CCC2CC1C2(C)C,C10H16,Cyclic olefin with a single C=C double bond within the otherwise saturated ring,Cycloalkenes,80-56-8,3.040848347,PubChem,,1.2793,0,1.5162,2.29886244,44.5386,28.268688,0,0,26,10,16,0,10,0,0,0,0,0,0,0,0,0,1458.898234,1780.618739,2622.07984,2464.702309,1324.899917,331.212672,27.433728,0,0,4732.508928,6494.471781,9986.607026,11261.74726,8567.052789,3997.02857,839.2610996,0,0,182.900584,196.827788,372.49216,493.420756,600.65906,439.561728,181.398528,0,0,35.00280648,48.49460896,77.3517497,93.26273012,81.39792133,44.50957963,12.00454843,0,0,4226.625993,3844.69868,7890.867563,10477.55014,14117.93169,11071.64723,4992.776605,0,0,44.39583333,54.88888889,88.86111111,121.8888889,130,86,27,0,0,56.11147054,65.94884219,50.42461231,35.72032332,15.40581299,5.175198,1.016064,0,0,182.0195742,240.5359919,192.0501351,163.2137285,99.61689289,62.45357141,31.08374443,0,0,7.034637846,7.289918074,7.163310769,7.151025449,6.984407674,6.868152,6.718464,0,0,1.346261788,1.796096628,1.487533648,1.35163377,0.946487457,0.695462182,0.444612905,0,0,162.5625382,142.3962474,151.7474531,151.8485527,164.1619964,172.9944879,184.917652,0,0,1.707532051,2.032921811,1.708867521,1.766505636,1.511627907,1.34375,1,0,0,0.040369169,-0.002397782,0.001990696,-0.021184549,-0.013804492,-0.007026008,0.022237551,0,0,745.0215938,45.8474827,214.1937082,-636.1338224,-508.6205112,28.65467669,483.5476691,0,0,1385.399467,85.25535183,398.3023469,-1182.918007,-945.8015594,53.2845949,899.1775389,0,0,0.145944615,0.008981207,0.041959077,-0.124614249,-0.099635266,0.005613254,0.094723669,0,0,6.193380214,0.38113109,1.780596812,-5.288193875,-4.228173031,0.238206931,4.019741966,0,0,33.64253962,2.070310131,9.672230141,-28.72555306,-22.96750301,1.293943832,21.83530216,0,0,3.562232906,-1.292457676,1.241185897,-1.796833909,-0.196766108,-1.467291256,1.731046598,0,0,0.00155266,-8.88E-05,3.83E-05,-3.07E-04,-1.61E-04,-1.10E-04,8.24E-04,0,0,28.65467669,1.698054915,4.119109774,-9.21933076,-5.914191991,0.447729323,17.90917293,0,0,53.2845949,3.157605624,7.659660516,-17.14373923,-10.99769255,0.832571795,33.30287181,0,0,0.005613254,3.33E-04,8.07E-04,-0.001806004,-0.00115855,8.77E-05,0.003508284,0,0,0.238206931,0.014115966,0.034242246,-0.076640491,-0.049164803,0.003721983,0.148879332,0,0,1.293943832,0.076678153,0.186004426,-0.416312363,-0.267063988,0.020217872,0.808714895,0,0,0.137008958,-0.047868803,0.02386896,-0.026041071,-0.002287978,-0.022926426,0.064112837,0,0,-0.057196494,0.024656137,-0.197739611,-0.103382141,-0.070705337,0.53045278,0,0,0.059259259,0.14375,-0.32173913,-0.206395349,0.015625,0.625,0,0,0.059259259,0.14375,-0.32173913,-0.206395349,0.015625,0.625,0,0,0.059259259,0.14375,-0.32173913,-0.206395349,0.015625,0.625,0,0,0.059259259,0.14375,-0.32173913,-0.206395349,0.015625,0.625,0,0,0.059259259,0.14375,-0.32173913,-0.206395349,0.015625,0.625,0,0,-0.349384475,0.174214591,-0.190068383,-0.016699477,-0.167335233,0.467946315,0,0,1.266440244,1.00759,1.304642559,1.025095651,0.906761576,0.081486295,0,0,1.203703704,0.9765625,1.413043478,1.110101744,0.76171875,0,0,0,1.203703704,0.9765625,1.413043478,1.110101744,0.76171875,0,0,0,1.203703704,0.9765625,1.413043478,1.110101744,0.76171875,0,0,0,1.203703704,0.9765625,1.413043478,1.110101744,0.76171875,0,0,0,1.203703704,0.9765625,1.413043478,1.110101744,0.76171875,0,0,0,1.693145496,0.664973382,1.290460341,0.939596262,1.169678338,0,0,0,39.92381683,19.7199784,27.4566027,39.92381683,3.992381683,19.71997841,7.11E-15,0.035593646,0.003559365,-3.335588142,145.9385937,14.59385937,4.983185942,39.92381683,19.7199784,27.4566027,39.92381683,3.992381683,19.71997841,7.11E-15,0.035593646,0.003559365,-3.335588142,145.9385937,14.59385937,4.983185942,39.92381683,19.7199784,27.4566027,39.92381683,3.992381683,19.71997841,7.11E-15,0.035593646,0.003559365,-3.335588142,145.9385937,14.59385937,4.983185942,39.92381683,19.7199784,27.4566027,39.92381683,3.992381683,19.71997841,7.11E-15,0.035593646,0.003559365,-3.335588142,145.9385937,14.59385937,4.983185942,39.92381683,19.7199784,27.4566027,39.92381683,3.992381683,19.71997841,7.11E-15,0.035593646,0.003559365,-3.335588142,145.9385937,14.59385937,4.983185942,39.92381683,19.7199784,27.4566027,39.92381683,3.992381683,19.71997841,7.11E-15,0.035593646,0.003559365,-3.335588142,145.9385937,14.59385937,4.983185942,49.21758221,24.40758742,35.12811696,49.01541554,4.901541554,24.40758742,-0.336944444,0.180684635,0.018068463,-1.711002116,74.02027556,7.402027556,4.30433905,0,11.89,12.11015511,-0.153423378,0.069300431,6.577301475,9.816076602,11,27,26,26,10,1,1,0,0,1,17.491312,3.902054326,3.173607675,2.749668339,2.564276873,2.333552793,2.073444367,1.41256801,1.159588096,2.125583559,1.606580886,1.395579907,1.249629723,1.224216765,0.851614291,0.522646307,0.421216994,3.915982867,3.198696865,2.792161841,2.609682838,2.405454588,2.133637739,1.498354552,1.260702385,2.090110827,1.536801694,1.302965327,1.134540686,1.131777154,0.750928313,0.383966589,0.269854356,3.978823716,3.317045018,2.984187961,2.809854116,2.704236987,2.384397441,1.860537895,1.682509344,1.991730114,1.34215039,1.023015111,0.849575875,0.76031856,0.431633738,0.071042959,0.239156422,3.926321627,3.217622245,2.823832491,2.643220977,2.457539916,2.177278648,1.560959119,1.334316387,2.068088436,1.493145015,1.24314831,1.071916453,1.058262671,0.684997995,0.291653469,0.168187656,4.010549246,3.379074996,3.07891581,2.906445494,2.838982085,2.498062194,2.02492274,1.869907755,1.962628007,1.285861395,0.935020674,0.759246798,0.631337262,0.323103363,0.228316303,0.419922508,3.882443634,3.317270111,2.902486447,2.688719384,2.662620106,2.259781596,1.620964365,1.415882367,2.119109829,1.367149078,1.134602198,1.005377287,0.85357488,0.580850686,0.184269599,0.032951857,0,0,0,1,1,3,2,2,1,0,0.11785113,0.387076975,0.759946456,1.178528219,0,0.11785113,0.377961159,0.667227585,0.926021831,1.40857456,0.166666667,0.648271461,0.151374715,1.323749909,0.166666667,0.589843002,0.142258898,3.260153798,4.31544863,4.893089478,2.971157092,3.617852564,3.767092819,7.353371151,4.621027034,4.915120116,4.203665235,3.059150443,2.048616017,1.145707649,0.340206909,0.735337115,0.420093367,0.273062229,0.168146609,0.109255373,0.068287201,0.05207762,0.034020691,7.14626437,4.2876937,4.49042209,3.744517166,2.541240381,1.579654691,0.844655444,0.240562612,0.714626437,0.389790336,0.249467894,0.149780687,0.090758585,0.052655156,0.038393429,0.024056261,14.33462243,25.10269483,23.80392157,24.08,16.38843593,197.7114299,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,2.92489,43.482,47.52016661,65.02412399,95.04033322,9.504033322,47.52016661,0.004736954,4.74E-04,-5.352360875,61.98482058,6.198482058,4.126889526,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,6,3,0,1,0,0,0,0,0,0,0,0,3,0,2,0,1,0,2,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.080439815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252916667,0,0,1.518611111,0.870833333,0,0.252916667,0,0,0,0,0,0,0,0,7.131412037,0,2.810185185,0,2.434606481,0,1.923564815,0,0,1.645833333,0,0,0.637731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.645833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252916667,0,0,0.225625,0.290277778,0,0.252916667,0,0,0,0,0,0,0,0,2.293449074,0,1.342592593,0,2.434606481,0,0.922453704,0,0,1.645833333,0,0,0.637731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.434606481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252916667,0,0,0.290277778,0.290277778,0,0.252916667,0,0,0,0,0,0,0,0,2.418981481,0,1.467592593,0,2.434606481,0,1.001111111,0,0,1.645833333,0,0,0.637731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.58333333,1.658333333,0.290277778,2.434606481,-0.005208333,0.637731481,5.858665833,0.612268519,0.434606481,3.132037037,0.612268519,0.434606481,3.132037037,5,0.5,0,0,0.45385,0.7,0.44286,0.44286,0.7,0.01099,0.01099,0,0,0.71429,0,0,0.3,0.3,0.1,6.5,0.65,5.5,0.55,1,0.1,-4.5,-0.45,0,0,10.96164,1.09616,12.14436,1.18272,0.11827,4.08466,0.40847,4.62101,0.53635,0.05364,0.29299,0.0293,0.37899,0.0379,0.269230769,31,0,0,0,0,0,0,0.8,0.961236605,2.369541298,3.690260391,3.690260391,3.690260391,3.613337314,24.99215172,61.60807374,95.94677017,95.94677017,95.94677017,93.94677017,0.204499294,0.50411056,0.785088335,0.785088335,0.785088335,0.768723254,3.739203113,2.330898421,1.010179327,1.010179327,1.010179327,1.087102404,0.199951246,0.49289918,0.767628031,0.767628031,0.767628031,0.751626908,6.796774065,21.41486027,22.74591403,22.74591403,22.74591403,21.82283711,38.70844392,19.14156354,17.78203736,17.78203736,17.78203736,19.02839415,6.694214876,1.777777778,0.7168,0,2,0,2.56,1.2574,0.944940787,2.94389819,4.112265279,2.080083823,1.650963624,5.853800636,1.310370697,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0.003,0.162,0.163,0.346,0.549,4.525,18,25,28,30,22,10,2,0,0,156,2.564949357,3.091042453,3.433987204,3.663561646,3.891820298,3.663561646,3.044522438,1.609437912,0,0,5.402677382,1.416666667,0.25,1,0,1,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,3,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.272727273,0,3,4,0.333333333,3.5,2.222222222,1.75,0.444444444,0,0,0,0,0,0,0.318181818,0.138888889,0.134615385,0.088888889,0,0,0,0,0,0,0.680574981,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,0,154.1669289,4.321928095,4.077537444,4.976733742,5.92157842,6.844815479,7.791109511,8.718500048,9.665293813,10.593555,11.5405309,91.12965436,3.135494216,0,4.634728988,0,6.385194399,0,8.219056661,0,10.08008442,10.25058175,136.1252005,5.235584635,19.92298566,1.992298566,0,0,0,102,13,4.177,58,1.273091135,2.199900578,3.052208135,3.70055507,4.424265193,5.044821881,0,0,0,0,96.55520465,122.6260429,114.0626222,60.57811174,23.26957246,5.1258619,0,0,0,0,335.6550961,454.3778494,512.4643935,382.8536487,279.125411,156.8119541,0,0,0,0,9.321036528,15.82470435,21.85849518,25.89463366,30.39995464,33.8934542,0,0,0,0,2.446278316,3.462407969,4.212504685,3.601557872,3.099413306,2.242992911,0,0,0,0,178.7739743,329.1639358,461.1715922,603.7671658,764.3038409,932.8766172,0,0,0,0,2.634374185,3.8987795,5.466656125,5.695355606,5.971311504,5.044821881,0,0,0,0,0.50355043,0.71950794,0.88643297,0.776170561,0.685965977,0.516589761,0,0,0,0,324.1764953,150.2662412,9.690821507,58.2429025,-26.99746022,-2.995276581,265.9335928,177.2637015,12.68609809,0.84769888,0.392935719,0.025340821,0.15230112,-0.070596472,-0.007832439,123.9713801,57.46472549,3.705958125,22.2732157,-10.32435248,-1.145451866,0.123339056,0.182220902,3.470667977,1.031508294,382.4193978,0,1,0,701.5830335,26.48741274,8.885728225,856.7879231,29.27093991,9.497831169,1326.574307,36.42216779,10.98779447,1.267190306,1.267190306,432.9616768,399.8347712,251.1185599,1.082851487,1.724132525,1.592215133,4.028890249,3.535499414,6.547554941,0.851946267,4.544113569,9.256989889,4.150684392,22.51325582,9.180196577,17.77165723,14.29998748,18.66298116,6.983673795,3.323965172,1.984403618,0.904838315,1.29E-09,4.01E-40,2.41E-92,2.79E-166,6.23E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,0.381398455,9.195245642,0.825316628,11.290933,0.953691985,1.763960646,1.237142698,0.884603224,1.050419802,0.121245927,0.021537255,0.00637285,9.07E-12,2.82E-42,1.69E-94,1.96E-168,4.38E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,1.231097356,9.199372115,1.295757657,13.02868104,2.141715074,4.33159559,3.057584704,3.199711371,1.521335225,0.495317192,0.165069511,0.066410013,9.45E-11,2.94E-41,1.77E-93,2.05E-167,4.57E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,4.289275132,9.250211124,3.873404881,21.63061174,8.502811981,16.54408414,13.20101576,17.1098093,6.358590168,3.028958301,1.773274052,0.806194648,1.15E-09,3.57E-40,2.14E-92,2.48E-166,5.55E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,1.814389013,9.20472176,1.68056037,14.38577803,3.103097748,6.302004512,4.558445029,5.179066179,2.064381102,0.835145798,0.339947307,0.144251422,2.05E-10,6.39E-41,3.84E-93,4.44E-167,9.92E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,5.487665595,9.285493547,5.261009704,26.00340308,11.88554267,22.59793149,18.70878795,24.94141418,9.595392742,4.528580287,2.869404497,1.319621644,1.88E-09,5.85E-40,3.51E-92,4.06E-166,9.08E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,2.966696164,7.789068193,2.104020939,16.67451909,4.711784062,9.202364782,7.693135406,8.876555211,3.804278059,1.671424186,0.75734484,0.329023806,4.68E-10,1.46E-40,8.75E-93,1.01E-166,2.26E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,3.083169168,1.688542023,1.41593876,0.498277891,0.272889067,0.447060015,0.45825404,0.389563688,6.187649951,11.96251153,25.52162462,0.247416837,1.294877743,2.138716653,1.049895441,0.803556927,0.535727982,0.262988725,0.215934426,0.182171576,0.131772549,3.99216902,4.807660198,10.60415913,0.303591973,0.52987855,2.48816936,1.285993945,1.030845824,0.517828227,0.267636109,0.291730302,0.270158391,0.212620762,4.805009129,7.090351214,15.19383064,0.276742341,0.774509455,3.057022051,1.67083561,1.39906042,0.498949392,0.272704088,0.43953796,0.448968692,0.380775664,6.12691808,11.72233982,24.99535256,0.248424088,1.269282316,2.654299481,1.398312885,1.13859245,0.511307023,0.269361918,0.331766683,0.317812032,0.257129592,5.191204816,8.325815009,17.74295257,0.266960535,0.906708308,3.166054762,1.744681202,1.469417933,0.496234858,0.273454407,0.471327919,0.488312809,0.418028676,6.380153897,12.73967972,27.23654007,0.244352287,1.377669404,3.073232441,1.672766069,1.401899297,0.499883462,0.272087488,0.444297978,0.449952067,0.382322269,6.147897807,11.79421092,25.14899116,0.249825193,1.276572314 +UMLKV0121,L,BETA-PINENE,CC1(C2CCC(=C)C1C2)C,C10H16,Cyclic olefin with a single C=C double bond within the otherwise saturated ring,Olefins,127-91-3,3.040848347,PubChem,,1.4751,0,1.3695,1.87553025,43.3169,28.268688,0,0,26,10,16,0,10,0,0,0,0,0,0,0,0,0,1458.898234,1780.618739,2633.170864,2478.841525,1314.824957,317.073456,26.417664,0,0,4732.508928,6494.471781,10070.2599,11438.65137,8514.483661,3820.124465,808.1773552,0,0,182.900584,196.827788,372.891328,513.975316,606.978356,419.007168,174.680064,0,0,35.00280648,48.49460896,78.02068111,95.26550024,81.17360283,42.50680951,11.55993553,0,0,4226.625993,3844.69868,7859.072458,11000.50799,14334.64445,10548.68937,4807.858953,0,0,47.64583333,55.97222222,88.86111111,129.0972222,136.8333333,86.66666667,26,0,0,56.11147054,65.94884219,50.63790123,34.42835451,15.11293054,5.197925508,1.016064,0,0,182.0195742,240.5359919,193.6588442,158.8701579,97.86762829,62.62499123,31.08374443,0,0,7.034637846,7.289918074,7.170987077,7.138546056,6.976762713,6.868969967,6.718464,0,0,1.346261788,1.796096628,1.500397714,1.323131948,0.933029918,0.696832943,0.444612905,0,0,162.5625382,142.3962474,151.1360088,152.7848332,164.7660281,172.929334,184.917652,0,0,1.832532051,2.073045267,1.708867521,1.793016975,1.572796935,1.420765027,1,0,0,0.045202577,-0.007299809,0.003546735,-0.015517285,-0.017691785,-0.012756663,0.027117519,0,0,745.0215938,45.8474827,167.6298586,-628.9701533,-444.1474886,21.49100751,465.6384962,0,0,1385.399467,85.25535183,311.7148801,-1169.596858,-825.9112209,39.96344617,865.8746671,0,0,0.145944615,0.008981207,0.032837538,-0.123210935,-0.087005444,0.004209941,0.091215385,0,0,6.193380214,0.38113109,1.393510548,-5.228642143,-3.692207436,0.178655198,3.870862634,0,0,33.64253962,2.070310131,7.569571415,-28.4020671,-20.05612939,0.970457874,21.02658726,0,0,5.549412393,-1.68299022,1.169070513,-1.816855687,0.091335881,-2.465020957,1.929754274,0,0,0.001738561,-2.70E-04,6.82E-05,-2.16E-04,-2.03E-04,-2.09E-04,0.001042981,0,0,28.65467669,1.698054915,3.223651127,-8.735696573,-5.105143548,0.352311599,17.90917293,0,0,53.2845949,3.157605624,5.994516926,-16.24440081,-9.493232424,0.655138462,33.30287181,0,0,0.005613254,3.33E-04,6.31E-04,-0.001711263,-0.001000063,6.90E-05,0.003508284,0,0,0.238206931,0.014115966,0.02679828,-0.07262003,-0.042439166,0.002928774,0.148879332,0,0,1.293943832,0.076678153,0.145568681,-0.394473154,-0.230530223,0.015909145,0.808714895,0,0,0.213438938,-0.062332971,0.022482125,-0.025234107,0.001049838,-0.04041018,0.074221318,0,0,-0.15550985,0.039231553,-0.123963375,-0.116966783,-0.120286643,0.599910906,0,0,0.059259259,0.1125,-0.304861111,-0.17816092,0.012295082,0.625,0,0,0.059259259,0.1125,-0.304861111,-0.17816092,0.012295082,0.625,0,0,0.059259259,0.1125,-0.304861111,-0.17816092,0.012295082,0.625,0,0,0.059259259,0.1125,-0.304861111,-0.17816092,0.012295082,0.625,0,0,0.059259259,0.1125,-0.304861111,-0.17816092,0.012295082,0.625,0,0,-0.292041235,0.10533282,-0.118226351,0.004918679,-0.189328995,0.34774029,0,0,1.351453543,0.869884799,1.130703043,1.09055411,1.041687169,0.132500033,0,0,1.203703704,1.015625,1.382378472,1.073994253,0.765881148,0,0,0,1.203703704,1.015625,1.382378472,1.073994253,0.765881148,0,0,0,1.203703704,1.015625,1.382378472,1.073994253,0.765881148,0,0,0,1.203703704,1.015625,1.382378472,1.073994253,0.765881148,0,0,0,1.203703704,1.015625,1.382378472,1.073994253,0.765881148,0,0,0,1.573499186,0.535147038,1.164916601,0.986723272,1.392933706,0,0,0,40.88795188,19.88347645,27.62711587,40.88795188,4.088795188,19.88347646,-7.11E-15,0.025365077,0.002536508,-3.674381957,158.4165045,15.84165045,5.065227669,40.88795188,19.88347645,27.62711587,40.88795188,4.088795188,19.88347646,-7.11E-15,0.025365077,0.002536508,-3.674381957,158.4165045,15.84165045,5.065227669,40.88795188,19.88347645,27.62711587,40.88795188,4.088795188,19.88347646,-7.11E-15,0.025365077,0.002536508,-3.674381957,158.4165045,15.84165045,5.065227669,40.88795188,19.88347645,27.62711587,40.88795188,4.088795188,19.88347646,-7.11E-15,0.025365077,0.002536508,-3.674381957,158.4165045,15.84165045,5.065227669,40.88795188,19.88347645,27.62711587,40.88795188,4.088795188,19.88347646,-7.11E-15,0.025365077,0.002536508,-3.674381957,158.4165045,15.84165045,5.065227669,40.88795188,19.88347645,27.62711587,40.88795188,4.088795188,19.88347646,-7.11E-15,0.025365077,0.002536508,-3.674381957,158.4165045,15.84165045,5.065227669,59.3372891,27.69466822,39.47161851,59.07784466,5.907784466,27.69466822,-0.648611111,0.081284784,0.008128478,-2.509796442,79.84827032,7.984827032,4.380128213,0,11.9,12.10017173,-0.129562635,0.072551886,6.440054204,9.812010106,11,27,26,26,10,1,1,0,0,1,17.491312,3.888198681,3.171405933,2.816229375,2.607985764,2.333552793,1.888076085,1.456637094,1.188528092,2.122359773,1.606522506,1.351545987,1.285360496,1.249629723,0.810443177,0.56697733,0.444919545,3.902897642,3.197031354,2.851626796,2.655883624,2.405454588,1.952895393,1.543726574,1.291733304,2.085478294,1.537069639,1.272965803,1.192962473,1.134540686,0.686875279,0.430016902,0.295560373,3.969059753,3.316995691,3.009510993,2.86491865,2.704236987,2.239619494,1.90897946,1.714805433,1.982613349,1.342282775,1.04129169,0.905941121,0.76031856,0.296059273,0.022475196,0.207442483,3.913800811,3.216311771,2.877855352,2.691159201,2.457539916,2.000951171,1.607146834,1.366321189,2.062524406,1.493537305,1.222847565,1.132709149,1.058262671,0.605648329,0.338637319,0.195238561,4.002352879,3.379392349,3.087107237,2.964400111,2.838982085,2.376338979,2.07342931,1.900581295,1.952034235,1.285515688,0.969260316,0.812427586,0.631337262,0.167362171,0.180254075,0.387145339,3.873151655,3.398506981,2.970412149,2.690979452,2.634654398,2.111823986,1.640665901,1.415179689,2.141314748,1.418422308,1.086602869,1.07810206,0.878556837,0.433128679,0.253355672,0.100946856,0,0,1,0,1,2,3,2,1,0,0.11785113,0.387076975,0.759946456,1.178528219,0,0.11785113,0.377961159,0.686886724,0.959200637,1.40857456,0.166666667,0.648271461,0.151374715,1.30142081,0.166666667,0.581948473,0.142258898,3.260153798,4.31544863,4.893089478,2.930493096,3.583407348,3.764093265,7.353371151,4.621027034,4.915120116,4.203665235,3.059150443,2.048616017,1.145707649,0.340206909,0.735337115,0.420093367,0.273062229,0.168146609,0.109255373,0.068287201,0.05207762,0.034020691,6.983127663,4.297877056,4.503502173,3.777239609,2.61466402,1.685056171,0.87228213,0.277368927,0.698312766,0.390716096,0.250194565,0.151089584,0.093380858,0.056168539,0.039649188,0.027736893,14.33462243,25.10269483,23.80392157,24.08,16.38843593,197.7114299,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,2.92489,43.482,47.52016661,65.02412399,95.04033322,9.504033322,47.52016661,0.004736954,4.74E-04,-5.352360875,61.98482058,6.198482058,4.126889526,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,7,2,0,1,0,0,0,0,0,0,0,0,2,1,3,0,0,0,2,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.649560185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.317569444,0,0,0,1.744236111,0.580555556,0,0.317569444,0,0,0,0,0,0,0,0,4.797962963,4.128726852,4.145763889,0,0,0,1.883564815,0,0,1.520833333,0,0,0.606481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.520833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.317569444,0,0,0,0.225625,0.290277778,0,0.317569444,0,0,0,0,0,0,0,0,2.398981481,4.128726852,1.304328704,0,0,0,0.866898148,0,0,1.520833333,0,0,0.606481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.128726852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.317569444,0,0,0,0.290277778,0.290277778,0,0.317569444,0,0,0,0,0,0,0,0,2.398981481,4.128726852,1.436342593,0,0,0,1.016666667,0,0,1.520833333,0,0,0.606481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.08333333,1.708333333,0.317569444,4.128726852,-0.005208333,0.606481481,6.118578843,0.643518519,1.128726852,3.85337963,0.643518519,1.128726852,3.85337963,5,0.5,0,0,0.45385,0.7,0.44286,0.44286,0.7,0.01099,0.01099,0,0,0.71429,0,0,0.3,0.3,0.1,6.5,0.65,5.5,0.55,1,0.1,-4.5,-0.45,0,0,10.60825,1.06083,12.14436,1.5361,0.15361,4.13471,0.41347,4.62101,0.4863,0.04863,0.29299,0.0293,0.37899,0.0379,0.269230769,31,0,0,0,0,0,0,0.8,0.961236605,2.419556299,3.565448372,3.719294526,3.719294526,3.642371449,24.99215172,62.90846376,92.70165767,96.70165767,96.70165767,94.70165767,0.204499294,0.514751054,0.75853507,0.791265232,0.791265232,0.774900151,3.739203113,2.28088342,1.134991346,0.981145192,0.981145192,1.058068269,0.199951246,0.50330303,0.741665309,0.773667554,0.773667554,0.757666431,6.796774065,20.61971472,22.62012536,22.77517536,22.77517536,21.85209844,38.70844392,20.64166597,18.18462585,17.66141363,17.66141363,18.90777043,6.694214876,1.777777778,0.7168,0,2,0,2.56,1.2574,0.944940787,2.94389819,4.112265279,2.080083823,1.650963624,5.853800636,1.310370697,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0.003,0.163,0.175,0.286,0.54,4.478,18,25,28,30,22,10,2,0,0,156,2.564949357,3.044522438,3.36729583,3.526360525,3.610917913,3.433987204,2.564949357,1.609437912,0,0,5.225746674,1.185897436,0.25,1,0,1,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,3,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.181818182,0,3,4,0.333333333,3.5,2.222222222,1.75,0.444444444,0,0,0,0,0,0,0.318181818,0.138888889,0.134615385,0.088888889,0,0,0,0,0,0,0.680574981,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,0,154.1669289,4.321928095,4.077537444,4.976733742,5.92157842,6.844815479,7.791109511,8.718500048,9.665293813,10.593555,11.5405309,91.12965436,3.135494216,0,4.634728988,0,6.385194399,0,8.219056661,0,10.08008442,10.25058175,136.1252005,5.235584635,19.92298566,1.992298566,0,0,0,102,13,4.222,58,1.264016187,2.185006382,2.992985573,3.602340471,4.197093939,4.840823288,0,0,0,0,95.30475175,120.9540957,106.530623,57.36225388,22.59575571,4.918586273,0,0,0,0,331.948938,451.1403146,486.1284799,362.2448691,268.7228258,150.4709139,0,0,0,0,9.252794688,15.72624326,21.39237564,25.16009076,28.85776923,32.52289699,0,0,0,0,2.421713796,3.444815873,4.027058839,3.424365624,2.971691664,2.152292504,0,0,0,0,177.6116207,326.177947,455.3147933,591.491418,723.5658219,895.1536762,0,0,0,0,2.650678783,3.867129783,5.456743441,5.777976313,6.037576353,4.840823288,0,0,0,0,0.498589105,0.716038848,0.84866296,0.738838396,0.65720764,0.495700305,0,0,0,0,325.8798931,157.9906053,10.56939806,75.16227699,-36.43960212,-4.469708355,250.7176161,194.4302075,15.03910641,0.81258261,0.393950106,0.02635483,0.18741739,-0.09086227,-0.011145233,130.6915795,63.36089521,4.238774332,30.14324267,-14.61381711,-1.792541538,0.110246903,0.204545581,3.297375637,3.885340332,401.04217,0,1,0,721.9453912,26.8690415,8.970874535,877.3625931,29.62030711,9.573256707,1378.175469,37.12378575,11.12845409,1.173444072,1.173030058,415.2081053,361.2036539,242.4498459,1.149512473,1.712552564,1.489807727,3.910724996,3.656310633,6.387730674,0.747042666,4.625741201,8.933405245,6.859290288,24.72950424,12.13530283,16.37056508,16.35546422,11.54317222,6.614962842,4.202112817,1.584851724,0.283529216,5.24E-17,1.87E-54,1.29E-113,1.70E-194,4.36E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,0.388216818,8.039395789,1.764081032,8.957108964,1.672581651,2.200128388,1.699501749,1.260775907,0.131686993,0.150369211,0.011162606,0.001996919,3.69E-19,1.32E-56,9.05E-116,1.20E-196,3.07E-299,0,0,0,0,0,0,0,0,0,0,0,0,0,1.253185342,8.099135775,2.553498327,11.28192099,3.134055821,4.424759157,3.527852804,2.65310663,0.704088351,0.618701495,0.11632009,0.02080944,3.85E-18,1.37E-55,9.43E-115,1.25E-195,3.20E-298,0,0,0,0,0,0,0,0,0,0,0,0,0,4.366322802,8.835251016,6.458702922,23.44742486,11.25627635,15.26679525,15.04671974,10.66374594,5.952391806,3.827166505,1.412074606,0.252619427,4.67E-17,1.67E-54,1.15E-113,1.52E-194,3.89E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,1.846959279,8.176591351,3.169823868,13.14347763,4.337493072,6.150199144,5.128349512,3.818680092,1.320003505,1.046706824,0.252661879,0.045200885,8.36E-18,2.98E-55,2.05E-114,2.72E-195,6.95E-298,0,0,0,0,0,0,0,0,0,0,0,0,0,5.586250983,9.346130429,8.443154389,29.83583439,15.66074809,20.72559007,21.66840256,15.08308607,9.369812964,5.734457339,2.311356099,0.413500715,7.64E-17,2.73E-54,1.87E-113,2.49E-194,6.36E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,3.0030338,6.263551539,3.390867659,15.87054216,5.755120402,8.874552428,8.761098417,5.933466699,2.922152719,2.263479992,0.543056119,0.097152188,1.80E-17,6.40E-55,4.40E-114,5.84E-195,1.49E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,2.786428671,1.7330151,1.222243897,0.485297848,0.301830263,0.454750422,0.540554956,0.494316702,5.741687668,10.35278553,21.99659482,0.227946772,1.489622079,1.967446469,1.089583593,0.696230157,0.524196659,0.290303238,0.228614515,0.218116742,0.149539034,3.753260219,4.272093913,9.517860906,0.286294989,0.596270291,2.267096433,1.327313776,0.895032029,0.504983985,0.295652267,0.301636854,0.320718248,0.255395328,4.489442238,6.226260591,13.40898696,0.257475978,0.877750429,2.763418049,1.715143723,1.208121584,0.485945476,0.301607038,0.447244114,0.52964864,0.482421422,5.686683356,10.15030626,21.5630741,0.228918214,1.459314176,2.4110965,1.440409098,0.987710621,0.498241118,0.297653387,0.340690202,0.376235816,0.315062349,4.839216219,7.277138321,15.54663929,0.247361677,1.031988367,2.859467401,1.789696237,1.266873133,0.483341722,0.302516077,0.479022875,0.575904735,0.532795671,5.916036771,11.00747855,23.40683745,0.225012583,1.587723281,2.781477113,1.723479302,1.209281578,0.48676256,0.301611397,0.45279943,0.537926818,0.482354338,5.714237992,10.24157903,21.7528931,0.23014384,1.473080587 +UMLKV0122,L,METHYLACETYLENE,CC#C,C3H4,Alkene with triple bond between carbons,,74-99-7,1.777358532,PubChem,,0.2214,0,1.4069,1.97936761,13.2663,7.947172,0,0,7,3,4,0,3,0,0,0,0,0,0,0,0,0,436.856619,336.956594,195.740665,48.428352,3.048192,0,0,0,0,1394.885683,1305.980269,975.7146005,458.9464655,93.25123329,0,0,0,0,49.495404,43.55156,56.166436,28.470528,20.155392,0,0,0,0,10.14515162,10.03197724,8.576915955,4.45417724,1.333838715,0,0,0,0,1120.053676,866.078903,1294.037503,612.4901909,554.7529561,0,0,0,0,30.25,25,21,14,3,0,0,0,0,62.40808843,56.15943233,24.46758313,12.107088,1.016064,0,0,0,0,199.2693833,217.6633782,121.9643251,114.7366164,31.08374443,0,0,0,0,7.070772,7.258593333,7.0208045,7.117632,6.718464,0,0,0,0,1.449307374,1.671996207,1.072114494,1.11354431,0.444612905,0,0,0,0,160.0076681,144.3464838,161.7546879,153.1225477,184.917652,0,0,0,0,4.321428571,4.166666667,2.625,3.5,1,0,0,0,0,0.045569785,-0.001646968,-0.02114887,-0.013440681,0.013451626,0,0,0,0,207.5417297,-39.53175804,-12.35367439,-118.5952741,66.70984169,0,0,0,0,385.9327088,-73.51099214,-22.97218504,-220.5329764,124.0497992,0,0,0,0,0.040656,-0.007744,-0.00242,-0.023232,0.013068,0,0,0,0,1.725298774,-0.328628338,-0.102696356,-0.985885014,0.55456032,0,0,0,0,9.371850323,-1.785114347,-0.557848234,-5.355343042,3.012380461,0,0,0,0,7.928571429,-0.510204082,0.081632653,-5.387755102,1.852040816,0,0,0,0,0.006509969,-2.74E-04,-0.002643609,-0.00336017,0.004483875,0,0,0,0,29.64881853,-6.58862634,-1.544209298,-29.64881853,22.2366139,0,0,0,0,55.13324411,-12.25183202,-2.871523131,-55.13324411,41.34993308,0,0,0,0,0.005808,-0.001290667,-3.03E-04,-0.005808,0.004356,0,0,0,0,0.246471253,-0.05477139,-0.012837044,-0.246471253,0.18485344,0,0,0,0,1.33883576,-0.297519058,-0.069731029,-1.33883576,1.00412682,0,0,0,0,1.132653061,-0.085034014,0.010204082,-1.346938776,0.617346939,0,0,0,0,-0.04216528,-0.406086208,-0.516157609,0.688770593,0,0,0,0,-0.222222222,-0.052083333,-1,0.75,0,0,0,0,-0.222222222,-0.052083333,-1,0.75,0,0,0,0,-0.222222222,-0.052083333,-1,0.75,0,0,0,0,-0.222222222,-0.052083333,-1,0.75,0,0,0,0,-0.222222222,-0.052083333,-1,0.75,0,0,0,0,-0.075075075,0.009009009,-1.189189189,0.545045045,0,0,0,0,0.825966884,1.084725085,1.46833764,0.497682485,0,0,0,0,1.166666667,0.875,1.75,0,0,0,0,0,1.166666667,0.875,1.75,0,0,0,0,0,1.166666667,0.875,1.75,0,0,0,0,0,1.166666667,0.875,1.75,0,0,0,0,0,1.166666667,0.875,1.75,0,0,0,0,0,0.914414414,0.614864865,2.648648649,0,0,0,0,0,3.673085913,1.836542957,3.354165221,3.673085913,1.224361971,2.106688715,-6.66E-16,0.192428912,0.064142971,-0.494408544,4.139902602,1.379967534,0.426201678,3.673085913,1.836542957,3.354165221,3.673085913,1.224361971,2.106688715,-6.66E-16,0.192428912,0.064142971,-0.494408544,4.139902602,1.379967534,0.426201678,3.673085913,1.836542957,3.354165221,3.673085913,1.224361971,2.106688715,-6.66E-16,0.192428912,0.064142971,-0.494408544,4.139902602,1.379967534,0.426201678,3.673085913,1.836542957,3.354165221,3.673085913,1.224361971,2.106688715,-6.66E-16,0.192428912,0.064142971,-0.494408544,4.139902602,1.379967534,0.426201678,3.673085913,1.836542957,3.354165221,3.673085913,1.224361971,2.106688715,-6.66E-16,0.192428912,0.064142971,-0.494408544,4.139902602,1.379967534,0.426201678,3.673085913,1.836542957,3.354165221,3.673085913,1.224361971,2.106688715,-6.66E-16,0.192428912,0.064142971,-0.494408544,4.139902602,1.379967534,0.426201678,5.227491025,2.484578846,5.008801071,5.141379914,1.713793305,2.63043155,-0.258333333,0.160518629,0.05350621,-0.548803582,3.868862792,1.289620931,0.405888184,0,11.69,12.31000645,-0.424794441,0.195302368,3.640113869,4.523141652,2,6,5,5,1,0,0,1,0,1,4.372828,3.276346449,2.151549154,0.318644341,0.083923071,0.083923071,0.954599781,1.624094022,0,1.624094022,0.954599781,0.083923071,0.083923071,0.318644341,2.151549154,3.276346449,0,3.294896143,2.215764816,0.450803213,0.270913902,0.270913902,0.856059257,1.563577112,0,1.563577112,0.856059257,0.270913902,0.270913902,0.450803213,2.215764816,3.294896143,0,3.384585347,2.481422874,0.956865517,0.943918427,0.943918427,0.530877251,1.404159633,0,1.404159633,0.530877251,0.943918427,0.943918427,0.956865517,2.481422874,3.384585347,0,3.308982925,2.262253096,0.544375367,0.399277246,0.399277246,0.790447821,1.526609076,0,1.526609076,0.790447821,0.399277246,0.399277246,0.544375367,2.262253096,3.308982925,0,3.433341363,2.59994272,1.207644823,1.207644823,1.159462987,0.416899762,1.360557661,0,1.360557661,0.416899762,1.159462987,1.207644823,1.207644823,2.59994272,3.433341363,0,3.353807552,2.215564731,0.485208091,0.352941176,0.352941176,0.745011803,1.603686219,0,1.603686219,0.745011803,0.352941176,0.352941176,0.485208091,2.215564731,3.353807552,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.707106781,1.414213562,0.707106781,0,0,0,0,0,0.902368927,0.707106781,0.707106781,0,0,0,0,0,2.077350269,0.788675135,0.288675135,0,0,0,0,0,0.69245009,0.394337567,0.288675135,0,0,0,0,0,4.083655608,6.775673707,6.450980392,6.52,4.597108982,52.79920479,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,0.71909,13.862,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,6,1,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.644444444,0,0,6.847222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.644444444,0,0,0,0,0,0.380555556,0,0,0,0,0,0,0,0,0,0,1.652777778,0,0,4.597222222,0,0,0,0,2.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.644444444,0,0,2.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.644444444,0,0,0,0,0,0.380555556,0,0,0,0,0,0,0,0,0,0,1.652777778,0,0,4.597222222,0,0,0,0,2.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.644444444,0,0,4.597222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.644444444,0,0,0,0,0,0.380555556,0,0,0,0,0,0,0,0,0,0,1.652777778,0,0,4.597222222,0,0,0,0,2.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.5,2.833333333,0.644444444,4.597222222,0.375,1.652777778,1.560708333,0.347222222,0.597222222,1.194444444,0.347222222,0.597222222,1.194444444,1.5,0.5,0,0,0.47143,0.7,0.40909,0.40909,0.7,0.06234,0.06234,0,0,0.71429,0,0,0.66667,0,0,3,1,1,0.33333,2,0.66667,1,0.33333,0,0,0.81444,0.27148,1.91421,1.09978,0.36659,0.59083,0.19694,1.41421,0.82339,0.27446,0,0,0,0,0,2,0,0,0,0,0,0,1,0.985228136,2.128085279,2.128085279,1.263447076,0.924933169,0,6.896596952,14.89659695,14.89659695,8.844129532,6.474532186,0,0.350945343,0.758039271,0.758039271,0.450048929,0.329467843,0,1.822126786,0.679269643,0.679269643,1.543907846,1.882421753,2.807354922,0.328409379,0.70936176,0.70936176,0.421149025,0.308311056,0,6.75154531,15.36999611,15.36999611,10.09017259,0.932170801,0,11.27526707,9.191610759,9.191610759,6.657991117,1.972698102,0,3,2,0,3,2,3,1.79,0.4453,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.085,0.106,0.096,0.236,0.184,0.783,1,0,0,0,0,0,0,0,0,6,1.609437912,1.386294361,0,0,0,0,0,0,0,0,2.397895273,1.666666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,2,1,0.5,0,0,0,0,0,0,0,0,0,0.25,0,0,0,0,0,0,0,0,0,0.25,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,0,55.17149518,2.584962501,1.945910149,2.197224577,2.564949357,2.833213344,3.218875825,3.496507561,3.891820298,4.17438727,4.574710979,33.89759936,1.609437912,0,2.197224577,0,2.833213344,0,3.496507561,0,4.17438727,4.852030264,40.03130013,5.718757161,4.914213562,1.638071187,0,0,0,4,0,1.017,6,1.185166667,2.098495863,3.352335107,4.256988441,0,0,0,0,0,0,73.42311088,62.1059054,40.58701615,4.325372703,0,0,0,0,0,0,274.0068007,286.9223348,384.6355871,132.3231407,0,0,0,0,0,0,8.62460934,14.80433692,23.86068763,28.60042359,0,0,0,0,0,0,2.068619591,2.439666522,3.732973684,1.892711996,0,0,0,0,0,0,169.7070378,334.3061331,513.3180924,787.1923071,0,0,0,0,0,0,5.084666667,6.061388997,11.52334043,4.256988441,0,0,0,0,0,0,0.4285975,0.517388698,0.804560426,0.435915616,0,0,0,0,0,0,176.7551657,41.07751763,9.039337453,193.2834119,-44.91864624,-13.74087113,-16.5282462,85.99616387,22.78020859,0.477666861,0.111008744,0.024428095,0.522333139,-0.12138909,-0.037133618,65.40623008,15.20026619,3.344903573,71.52231879,-16.62163196,-5.084652408,0.530597132,0.516081056,15.9400619,24.24769954,370.0385775,0,1,0,164.6685054,12.83232268,5.481130991,203.8297736,14.2768965,5.885127471,184.6876237,13.58998247,5.694810334,2.167465783,2.113754808,59.63413438,59.63413438,3.370848499,1,17.69113456,17.69113456,1.895432093,2.302,4.256988441,0.84925649,1.292731108,0.914242438,1.139654087,0.056262335,0.032925121,0.001381499,0.009588967,0.00817357,3.17E-24,2.37E-67,3.42E-132,9.53E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.118723809,0.914181606,0.083320168,0.038093145,0.002800346,1.16E-04,4.92E-04,5.76E-05,2.23E-26,1.67E-69,2.41E-134,6.71E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.358363728,0.914185795,0.277087703,0.041801864,0.008949454,3.74E-04,0.00179515,6.00E-04,2.33E-25,1.74E-68,2.51E-133,7.00E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.220859223,0.914235803,1.067255307,0.055150031,0.031080904,0.001304023,0.008836092,0.007282504,2.83E-24,2.11E-67,3.05E-132,8.49E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.522869019,0.914191114,0.416591572,0.044347783,0.013170625,5.52E-04,0.002853989,0.001303049,5.06E-25,3.78E-68,5.46E-133,1.52E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.558840351,0.914270309,1.416491899,0.0603807,0.039753427,0.001668361,0.012599052,0.011920384,4.62E-24,3.46E-67,4.99E-132,1.39E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.444026915,0.569549582,0.324959176,0.042479173,0.016425813,5.36E-04,0.001882758,0.001018161,3.95E-25,2.96E-68,4.27E-133,1.19E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.459274705,0.23890545,0.23890545,0.837318021,0.08134099,0.532576748,0.285714286,0.285714286,2.937085605,1.232144074,4.309594784,0.755977031,1.104005319,1.557578962,0.04207455,0.04207455,0.948743582,0.025628209,0.213632961,0.008861736,0.008771997,1.641728062,0.132839136,1.77732453,0.923115372,0.231266695,1.873077475,0.110944628,0.110944628,0.894084592,0.052957704,0.308943881,0.049908833,0.061615844,2.094966732,0.427924479,2.545946379,0.841126888,0.420468558,2.432098941,0.23297326,0.23297326,0.839220424,0.080389788,0.520871497,0.256220793,0.256220793,2.898045462,1.18750458,4.217555958,0.758830636,1.033313083,2.030229219,0.145249237,0.145249237,0.874824404,0.062587798,0.36295958,0.067590792,0.105610612,2.320727692,0.610875829,2.974435959,0.812236605,0.536160983,2.546339237,0.257910741,0.257910741,0.831549834,0.084225083,0.570953369,0.332980423,0.332980423,3.062160719,1.37997443,4.611512416,0.747324751,1.236914215,2.435973079,0.230222763,0.230222763,0.841029358,0.079485321,0.522532231,0.235027395,0.265323895,2.896418604,1.174635426,4.200166743,0.761544037,1.022883522 +UMLKV0123,L,ETHYLACETYLENE,CCC#C,C4H6,Alkene with triple bond between carbons,acetylenes,107-00-6,2.063225818,PubChem,,0.2933,0,1.0718,1.14875524,18.1147,11.040758,0,0,10,4,6,0,4,0,0,0,0,0,0,0,0,0,583.152868,505.434891,389.449202,223.003033,50.46048,3.048192,0,0,0,1880.570074,1958.970403,1889.261712,1298.439067,521.1139543,93.25123329,0,0,0,70.472848,65.32734,98.895944,90.557092,41.907456,20.155392,0,0,0,13.82327743,15.04796586,16.2646061,12.13784329,5.34340305,1.333838715,0,0,0,1616.683337,1299.118355,2218.239702,2155.035555,982.3254949,554.7529561,0,0,0,34.5,29.75,31,31,16,3,0,0,0,58.3152868,56.15943233,27.81780014,17.15407946,8.41008,1.016064,0,0,0,188.0570074,217.6633782,134.9472652,99.8799282,86.85232572,31.08374443,0,0,0,7.0472848,7.258593333,7.063996,6.965930154,6.984576,6.718464,0,0,0,1.382327743,1.671996207,1.161757579,0.933680253,0.890567175,0.444612905,0,0,0,161.6683337,144.3464838,158.445693,165.7719657,163.7209158,184.917652,0,0,0,3.45,3.305555556,2.214285714,2.384615385,2.666666667,1,0,0,0,0.048715269,-0.006400051,-0.017097318,-0.004215342,-0.005501044,0.008856121,0,0,0,290.5584216,-43.58376324,-67.79696504,-14.52792108,-77.48224576,58.11168432,0,0,0,540.3057923,-81.04586884,-126.0713515,-27.01528961,-144.0815446,108.0611585,0,0,0,0.0569184,-0.00853776,-0.01328096,-0.00284592,-0.01517824,0.01138368,0,0,0,2.415418284,-0.362312743,-0.5635976,-0.120770914,-0.644111542,0.483083657,0,0,0,13.12059045,-1.968088568,-3.061471106,-0.656029523,-3.498824121,2.62411809,0,0,0,8.9,-0.01,-0.36,-1.32,-3.84,1.08,0,0,0,0.004871527,-7.11E-04,-0.001221237,-3.24E-04,-9.17E-04,0.00295204,0,0,0,29.05584216,-4.84264036,-4.84264036,-1.117532391,-12.91370763,19.37056144,0,0,0,54.03057923,-9.005096538,-9.005096538,-2.078099201,-24.01359077,36.02038615,0,0,0,0.00569184,-9.49E-04,-9.49E-04,-2.19E-04,-0.002529707,0.00379456,0,0,0,0.241541828,-0.040256971,-0.040256971,-0.00929007,-0.107351924,0.161027886,0,0,0,1.312059045,-0.218676508,-0.218676508,-0.050463809,-0.583137353,0.87470603,0,0,0,0.89,-0.001111111,-0.025714286,-0.101538462,-0.64,0.36,0,0,0,-0.14597411,-0.250688759,-0.066561699,-0.188203948,0.605978467,0,0,0,-0.166666667,-0.166666667,-0.038461538,-0.444444444,0.666666667,0,0,0,-0.166666667,-0.166666667,-0.038461538,-0.444444444,0.666666667,0,0,0,-0.166666667,-0.166666667,-0.038461538,-0.444444444,0.666666667,0,0,0,-0.166666667,-0.166666667,-0.038461538,-0.444444444,0.666666667,0,0,0,-0.166666667,-0.166666667,-0.038461538,-0.444444444,0.666666667,0,0,0,-0.001248439,-0.028892456,-0.114088159,-0.719101124,0.404494382,0,0,0,0.986587486,0.875270859,0.862208919,1.653531277,0.912338998,0,0,0,1.25,1.071428571,0.865384615,1.25,0,0,0,0,1.25,1.071428571,0.865384615,1.25,0,0,0,0,1.25,1.071428571,0.865384615,1.25,0,0,0,0,1.25,1.071428571,0.865384615,1.25,0,0,0,0,1.25,1.071428571,0.865384615,1.25,0,0,0,0,0.898876404,0.577849117,1.127917027,2.359550562,0,0,0,0,8.238737024,4.119368512,7.10604019,8.238737024,2.059684256,4.154887161,3.55E-15,0.155838793,0.038959698,-0.743573273,8.531430199,2.13285755,0.857502806,8.238737024,4.119368512,7.10604019,8.238737024,2.059684256,4.154887161,3.55E-15,0.155838793,0.038959698,-0.743573273,8.531430199,2.13285755,0.857502806,8.238737024,4.119368512,7.10604019,8.238737024,2.059684256,4.154887161,3.55E-15,0.155838793,0.038959698,-0.743573273,8.531430199,2.13285755,0.857502806,8.238737024,4.119368512,7.10604019,8.238737024,2.059684256,4.154887161,3.55E-15,0.155838793,0.038959698,-0.743573273,8.531430199,2.13285755,0.857502806,8.238737024,4.119368512,7.10604019,8.238737024,2.059684256,4.154887161,3.55E-15,0.155838793,0.038959698,-0.743573273,8.531430199,2.13285755,0.857502806,8.238737024,4.119368512,7.10604019,8.238737024,2.059684256,4.154887161,3.55E-15,0.155838793,0.038959698,-0.743573273,8.531430199,2.13285755,0.857502806,14.41563891,6.936986119,12.33509333,14.35393896,3.588484739,6.939026377,-0.541666667,0.215842986,0.053960746,-0.613281621,13.29810747,3.324526867,1.035048692,0,11.69,12.31001294,-0.423125631,0.19703356,3.988854035,5.497755612,3,9,8,8,2,0,0,1,0,1,6.559242,3.37378221,2.638166583,1.603813271,0.309380346,0.083923071,0.083923071,0.083923071,0.727328519,1.739734095,1.206310584,0.727328519,0.083923071,0.083923071,0.083923071,0.309380346,1.603813271,3.393886656,2.680303895,1.695911685,0.443844858,0.270913902,0.270913902,0.270913902,0.593183772,1.67806649,1.129955127,0.593183772,0.270913902,0.270913902,0.270913902,0.443844858,1.695911685,3.490447536,2.859174732,2.073026845,0.956385856,0.943918427,0.943918427,0.943918427,0.142467333,1.511331298,0.893481058,0.142467333,0.943918427,0.943918427,0.943918427,0.956385856,2.073026845,3.409130225,2.711037565,1.76238675,0.538833961,0.399277246,0.399277246,0.399277246,0.503123932,1.639960238,1.080472593,0.503123932,0.399277246,0.399277246,0.399277246,0.538833961,1.76238675,3.542310933,2.942032122,2.239054532,1.207644823,1.207644823,1.207644823,1.161254517,0.017931809,1.464708325,0.814941119,0.017931809,1.161254517,1.207644823,1.207644823,1.207644823,2.239054532,3.499295591,2.713594467,1.680254714,0.546379275,0.4,0.4,0.4,0.497275236,1.759906021,0.98234279,0.497275236,0.4,0.4,0.4,0.546379275,1.680254714,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,2.78445705,1.349335306,0.557677536,0.204124145,0,0,0,0,0.696114263,0.449778435,0.278838768,0.204124145,0,0,0,0,5.625483411,9.663510561,9.176470588,9.28,6.395663473,75.82745988,0.562548341,0.966351056,0.917647059,0.928,0.639566347,7.582745988,1.10919,18.479,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,1,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,1,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.613194444,0,0,7.208333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.613194444,0,0,0,0,0.667361111,0.380555556,0,0,0,0,0,0,0,0,0,0,1.944444444,0,0.847222222,4.777777778,0,0,0,0,2.430555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.613194444,0,0,2.430555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.613194444,0,0,0,0,0.286805556,0.380555556,0,0,0,0,0,0,0,0,0,0,1.944444444,0,0.847222222,4.777777778,0,0,0,0,2.430555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.613194444,0,0,4.777777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.613194444,0,0,0,0,0.380555556,0.380555556,0,0,0,0,0,0,0,0,0,0,1.944444444,0,0.847222222,4.777777778,0,0,0,0,2.430555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,2.5,0.613194444,4.777777778,0.286805556,0.847222222,2.139847222,0.652777778,0.777777778,1.555555556,0.652777778,0.777777778,1.555555556,2,0.5,0,0,0.46,0.7,0.41429,0.41429,0.7,0.04571,0.04571,0,0,0.71429,0,0,0.5,0,0,3.5,0.875,1.5,0.375,2,0.5,0.5,0.125,0,0,1.68967,0.42242,2.95465,1.26498,0.31625,1.17836,0.29459,1.91421,0.73585,0.18396,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3,0,0,0,0,0,0,1,0.970950594,2.160964047,2.646439345,2.646439345,1.982053726,0.853282488,9.709505945,21.60964047,26.46439345,26.46439345,19.82053726,8.532824877,0.292285253,0.650514998,0.796657624,0.796657624,0.596657624,0.256863624,2.3509775,1.160964047,0.67548875,0.67548875,1.339874369,2.468645607,0.280667665,0.624658697,0.76499253,0.76499253,0.572942016,0.246653954,6.79089428,16.7839596,17.27323376,17.27323376,9.30060633,0.859959451,15.34358585,10.80482024,10.79686051,10.79686051,6.810546796,1.895461844,4,3,4,4,2,4,1.9,0.5862,0.333333333,2.828427125,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.085,0.106,0.096,0.236,0.184,1.282,2,1,0,0,0,0,0,0,0,10,1.791759469,1.609437912,1.386294361,0,0,0,0,0,0,0,2.833213344,1.6,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.333333333,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,0,72.4674798,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,54.04695019,5.404695019,6.871320344,1.717830086,0,0,0,10,1,1.481,10,1.206666667,2.12542895,2.966577822,4.103896676,4.821031647,0,0,0,0,0,76.35592216,68.33422098,57.72395626,33.92915252,4.8984767,0,0,0,0,0,282.7178615,313.2778163,319.7326354,352.0210714,149.8557156,0,0,0,0,0,8.786190082,15.07460217,20.73384066,28.64292589,32.38992757,0,0,0,0,0,2.126440209,2.631178689,2.924755442,3.619515851,2.143492885,0,0,0,0,0,172.466758,332.3994078,486.5906335,673.570614,891.4938526,0,0,0,0,0,4.064277778,5.021492827,7.488689016,10.64876758,4.821031647,0,0,0,0,0,0.440279167,0.55639435,0.628135161,0.78944604,0.493673641,0,0,0,0,0,321.5006111,90.16025409,12.34628019,165.7029445,-46.46902391,-14.75415226,155.7976665,136.629278,27.10043244,0.659889706,0.185056642,0.025341113,0.340110294,-0.095379074,-0.030283343,156.6362408,43.92639637,6.015151605,80.73106375,-22.63987368,-7.18827544,0.439742156,0.426691987,22.6273215,20.86637016,487.2035556,0,1,0,226.7500745,15.05822282,6.09793063,285.2854149,16.89039416,6.58304044,282.6470933,16.81211151,6.562684224,1.697712439,1.219183832,121.6764088,109.2386533,19.13783706,1.113858557,6.357897626,5.707993698,2.714231572,3.176793444,5.227620926,0.645565259,1.850532215,1.862759746,1.191713584,1.07702994,1.745696139,1.000925134,1.014450464,0.98828873,0.011243317,0.001199454,2.47E-26,9.79E-71,7.50E-137,1.11E-224,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.165536191,1.862656808,0.084749501,0.792381819,0.032479515,0.999690521,0.008568897,0.082404093,7.92E-05,8.45E-06,1.74E-28,6.90E-73,5.28E-139,7.80E-227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.509479802,1.86266389,0.283638785,0.849664532,0.179916023,0.999942531,0.078113558,0.266363729,8.25E-04,8.80E-05,1.81E-27,7.19E-72,5.50E-138,8.12E-226,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.747377966,1.862748516,1.114371093,1.059313884,1.569258693,1.000849551,0.904837636,0.932494784,0.010017593,0.001068692,2.20E-26,8.73E-71,6.68E-137,9.86E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.745586309,1.862672887,0.428206406,0.889230804,0.341183981,1.000115529,0.166168852,0.392928543,0.001792436,1.91E-04,3.93E-27,1.56E-71,1.20E-137,1.76E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.23246597,1.86280692,1.488949643,1.14295391,2.480210539,1.00120498,1.474835841,1.195250483,0.016397321,0.001749291,3.60E-26,1.43E-70,1.09E-136,1.61E-224,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.70420017,1.004043333,0.373525472,0.741914214,0.384036521,1.280062792,0.168992902,0.315458577,0.001798931,1.92E-04,3.95E-27,1.57E-71,1.20E-137,1.77E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.64038338,0.699664146,0.332403015,0.71897044,0.190516969,0.405358526,0.460895549,0.399984569,3.672450541,2.95762345,7.244149199,0.57845566,1.266238644,2.107884837,0.293479338,0.06194303,0.855713341,0.119140372,0.261578807,0.080678518,0.013889871,2.463307204,0.767368419,3.268994861,0.783570011,0.356147197,2.300606563,0.441359956,0.16007975,0.792753233,0.152085775,0.309981966,0.18291295,0.092765422,2.902046269,1.454328927,4.518919472,0.68912985,0.585660337,2.625133919,0.688132637,0.324686695,0.721596386,0.189153788,0.40080134,0.445790417,0.381629831,3.637953251,2.882213895,7.106694287,0.582394579,1.228221587,2.393973259,0.512633735,0.20751711,0.768746902,0.164615705,0.33490868,0.246985556,0.155891039,3.114124104,1.830402137,5.199197767,0.653120354,0.737785274,2.688921464,0.736331857,0.356953102,0.710939902,0.194683149,0.420037796,0.510598537,0.461249225,3.782206423,3.202593332,7.691544956,0.566409853,1.391885557,2.65577923,0.681097111,0.321961035,0.725853313,0.186151239,0.410023678,0.436782713,0.375249359,3.658837377,2.883187724,7.124402247,0.588779969,1.22205575 +UMLKV0124,L,BENZENE,C1=CC=CC=C1,C6H6,Aromatic (single ring),Aromatics,71-43-2,2.550421257,PubChem,,0.5959,0,1.4034,1.96953156,30.9558,14.560758,6,6,12,6,6,0,6,0,0,0,0,0,0,0,0,0,871.68111,938.227254,1010.869782,584.173803,78.738912,3.048192,0,0,0,2727.603877,3229.521109,3917.940807,2833.892568,874.9221648,93.25123329,0,0,0,85.55388,87.948888,130.65468,148.343916,83.016576,20.155392,0,0,0,19.40107743,23.41466586,30.09593172,24.39690915,9.348943289,1.333838715,0,0,0,1870.272049,1679.501423,2598.236709,3327.359553,2028.241198,554.7529561,0,0,0,30,36,48,42,18,3,0,0,0,72.6400925,78.1856045,56.15943233,27.81780014,6.561576,1.016064,0,0,0,227.3003231,269.1267591,217.6633782,134.9472652,72.9101804,31.08374443,0,0,0,7.12949,7.329074,7.258593333,7.063996,6.918048,6.718464,0,0,0,1.616756452,1.951222155,1.671996207,1.161757579,0.779078607,0.444612905,0,0,0,155.8560041,139.9584519,144.3464838,158.445693,169.0200999,184.917652,0,0,0,2.5,3,2.666666667,2,1.5,1,0,0,0,0.045768832,5.20E-18,-0.022884416,-0.011442208,-1.13E-17,0.011442208,0,0,0,363.198027,2.13E-13,-181.5990135,-90.79950675,-2.06E-13,90.79950675,0,0,0,675.3822403,1.71E-13,-337.6911202,-168.8455601,-1.99E-13,168.8455601,0,0,0,0.071148,8.22E-16,-0.035574,-0.017787,-8.17E-16,0.017787,0,0,0,3.019272855,-6.66E-16,-1.509636427,-0.754818214,4.44E-16,0.754818214,0,0,0,16.40073807,2.40E-14,-8.200369033,-4.100184516,-2.35E-14,4.100184516,0,0,0,3,0,-1.5,-0.75,0,0.75,0,0,0,0.003814069,4.34E-19,-0.001271356,-5.45E-04,-9.40E-19,0.003814069,0,0,0,30.26650225,1.78E-14,-10.08883408,-4.323786036,-1.72E-14,30.26650225,0,0,0,56.28185336,1.42E-14,-18.76061779,-8.040264766,-1.66E-14,56.28185336,0,0,0,0.005929,6.85E-17,-0.001976333,-8.47E-04,-6.81E-17,0.005929,0,0,0,0.251606071,-5.55E-17,-0.08386869,-0.035943724,3.70E-17,0.251606071,0,0,0,1.366728172,2.00E-15,-0.455576057,-0.195246882,-1.96E-15,1.366728172,0,0,0,0.25,0,-0.083333333,-0.035714286,0,0.25,0,0,0,1.14E-16,-0.333333333,-0.142857143,-2.46E-16,1,0,0,0,5.87E-16,-0.333333333,-0.142857143,-5.67E-16,1,0,0,0,2.52E-16,-0.333333333,-0.142857143,-2.95E-16,1,0,0,0,1.16E-14,-0.333333333,-0.142857143,-1.15E-14,1,0,0,0,-2.21E-16,-0.333333333,-0.142857143,1.47E-16,1,0,0,0,1.46E-15,-0.333333333,-0.142857143,-1.44E-15,1,0,0,0,0,-0.333333333,-0.142857143,0,1,0,0,0,0.916666667,1.222222222,1.047619048,0.916666667,0,0,0,0,0.916666667,1.222222222,1.047619048,0.916666667,0,0,0,0,0.916666667,1.222222222,1.047619048,0.916666667,0,0,0,0,0.916666667,1.222222222,1.047619048,0.916666667,0,0,0,0,0.916666667,1.222222222,1.047619048,0.916666667,0,0,0,0,0.916666667,1.222222222,1.047619048,0.916666667,0,0,0,0,0.916666667,1.222222222,1.047619048,0.916666667,0,0,0,0,12,6,8.666666667,12,2,6.009012619,-3.55E-15,6.66E-16,1.11E-16,-20.96702466,16.82065258,2.803442097,1.693564471,12,6,8.666666667,12,2,6.009012619,-3.55E-15,6.66E-16,1.11E-16,-20.96702466,16.82065258,2.803442097,1.693564471,12,6,8.666666667,12,2,6.009012619,-3.55E-15,6.66E-16,1.11E-16,-20.96702466,16.82065258,2.803442097,1.693564471,12,6,8.666666667,12,2,6.009012619,-3.55E-15,6.66E-16,1.11E-16,-20.96702466,16.82065258,2.803442097,1.693564471,12,6,8.666666667,12,2,6.009012619,-3.55E-15,6.66E-16,1.11E-16,-20.96702466,16.82065258,2.803442097,1.693564471,12,6,8.666666667,12,2,6.009012619,-3.55E-15,6.66E-16,1.11E-16,-20.96702466,16.82065258,2.803442097,1.693564471,12,6,8.666666667,12,2,6.009012619,-3.55E-15,6.66E-16,1.11E-16,-20.96702466,16.82065258,2.803442097,1.693564471,0,11.85,12.1500544,-0.211758152,0.08829625,6.093375,6.393429402,6,12,9,6,0,3,0,0,0,6,6.559242,3.724194531,2.619181914,2.619181914,0.941428501,0.941428501,0.577311388,0.190781718,0.310513972,1.94287806,1.082250302,1.082250302,0.310513972,0.310513972,0.190781718,0.577311388,0.941428501,3.737922806,2.645815032,2.645815032,1.053336623,1.053336623,0.729782652,0.017519162,0.150156259,1.908358493,1.007167592,1.007167592,0.150156259,0.150156259,0.017519162,0.729782652,1.053336623,3.799661322,2.771820215,2.771820215,1.517793787,1.517793787,1.306733712,0.593746847,0.396843083,1.812305028,0.798620231,0.798620231,0.396843083,0.396843083,0.593746847,1.306733712,1.517793787,3.748101967,2.665925019,2.665925019,1.134811365,1.134811365,0.836688466,0.100665021,0.041902902,1.886900963,0.960278991,0.960278991,0.041902902,0.041902902,0.100665021,0.836688466,1.134811365,3.830721456,2.838078588,2.838078588,1.721464227,1.721464227,1.541933825,0.826413109,0.594311107,1.783778745,0.738564276,0.738564276,0.594311107,0.594311107,0.826413109,1.541933825,1.721464227,3.756562044,2.68285955,2.68285955,1.201259917,1.201259917,0.921724808,0.192927699,0.041885322,1.87121455,0.926004789,0.926004789,0.041885322,0.041885322,0.192927699,0.921724808,1.201259917,0,0,0,6,0,0,0,0,0,0,0,0,0.125,0,0,0,0,0.037037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,3.464101615,2,1.154700538,0.666666667,0.384900179,0.222222222,0,0,0.577350269,0.333333333,0.19245009,0.111111111,0.06415003,0.037037037,0,0,7.625483411,11.66351056,11.17647059,11.28,8.395663473,89.3128491,0.635456951,0.971959213,0.931372549,0.94,0.699638623,7.442737425,1.6866,26.442,21,27,42,7,21,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,36,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.7,0,0,0,0,2.7,0,0,0,0,0,0,0,0,0,0,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,2,0.45,2,0.45,2,3.588,0,0,0,0,0,0,3,0.5,0,0,0.5,0.7,0.43333,0.43333,0.7,0.06667,0.06667,0,0,0.71429,0,0,0,0,0,9,1.5,3,0.5,6,1,3,0.5,0,0,1.6667,0.27778,5,3.3333,0.55555,1.00002,0.16667,3,1.99998,0.33333,-0.086,-0.01433,0,0,0.5,6,0,0,0,0,0,0,0,1,1,1,1,1,1,12,12,12,12,12,12,0.278942946,0.278942946,0.278942946,0.278942946,0.278942946,0.278942946,2.584962501,2.584962501,2.584962501,2.584962501,2.584962501,2.584962501,0.255958025,0.255958025,0.255958025,0.255958025,0.255958025,0.255958025,6.503912516,6.503912516,6.503912516,6.503912516,6.503912516,6.503912516,21,21,21,21,21,21,4.166666667,2.222222222,1.333333333,0,6,0,2.12,0.7164,0,0,0,0,9.125465128,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.137,0.136,0.577,0.656,2.944,6,6,6,6,0,0,0,0,0,36,2.302585093,2.674148649,3.056356895,3.446011397,3.840795496,0,0,0,0,0,4.833798668,3.463541667,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,13,18,3,9.000420062,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,0,81.16653165,3.584962501,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,65.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921172722,78.04695019,6.503912516,11.8125,1.96875,0,0,0,27,3,2.082,24,1.224525312,2.194753941,2.990248634,4.019699157,4.89834867,0,0,0,0,0,103.9026211,129.4371991,79.3526106,25.14298673,4.977035743,0,0,0,0,0,348.623619,492.1593961,403.5063626,283.7804261,152.2590182,0,0,0,0,0,9.000755064,15.95060486,21.16708507,27.76411112,32.9093792,0,0,0,0,0,2.492795335,3.747977654,3.50709143,3.057321508,2.177869031,0,0,0,0,0,169.7565679,315.573629,469.9801923,682.9434268,905.7911349,0,0,0,0,0,3.797101247,5.946218376,6.051216874,5.918416094,4.89834867,0,0,0,0,0,0.511259238,0.777760513,0.745611807,0.672880644,0.501590904,0,0,0,0,0,174.5429608,64.67670431,10.77945072,100.7614793,-37.33705656,-6.22284276,73.78148157,102.0137609,17.00229348,0.633999803,0.234927938,0.039154656,0.366000197,-0.135620975,-0.022603496,48.05245211,17.80578387,2.967630645,27.74008264,-10.27905745,-1.713176242,0.166666667,0.166666667,5.596878212,2.914241702,275.3044401,0,1,0,476.3827464,21.82619404,7.810017517,535.7788366,23.14689691,8.121978801,694.3401308,26.35033455,8.855044655,1.419404744,1.078410158,167.1667771,86.32704914,80.84022103,1.936435668,2.067866403,1.067872502,2.911360528,3.785388983,4.922407598,0.30037035,2.163472944,0.873677938,3.050218658,4.828602352,0.001325092,1.072694178,0.166197337,0.0170459,1.096942663,3.33E-15,3.71E-51,8.18E-109,3.48E-188,2.85E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.1816749,0.873677268,0.256345256,0.644788204,5.69E-04,0.090023789,0.010588676,1.20E-04,0.007725857,2.35E-17,2.62E-53,5.76E-111,2.45E-190,2.01E-291,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.586202132,0.873677404,0.826634369,0.924368354,7.23E-04,0.290607765,0.036394954,0.001251073,0.080509385,2.45E-16,2.73E-52,6.01E-110,2.55E-189,2.09E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.042148688,0.873677897,2.879179726,4.369259529,0.001278787,1.012535801,0.15456378,0.01518759,0.977356164,2.97E-15,3.31E-51,7.29E-109,3.10E-188,2.54E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.863897394,0.873677498,1.21811997,1.286850187,8.29E-04,0.428302377,0.055878842,0.002717497,0.174877143,5.32E-16,5.92E-52,1.30E-109,5.55E-189,4.55E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.612682056,0.873678089,3.683498842,6.760074852,0.001496539,1.29543357,0.211663854,0.024859844,1.599787782,4.86E-15,5.42E-51,1.19E-108,5.07E-188,4.16E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.081796297,0.873677572,1.525306642,1.668499683,9.12E-04,0.536347089,0.072175428,0.004261475,0.274235666,8.34E-16,9.28E-52,2.05E-109,8.70E-189,7.14E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.001477987,1.906797044,1.10E-05,0.512111441,0.487885747,0.52850557,0.515916133,0.389442273,3.908286022,3.816455266,7.724783236,0.499995781,1.433863977,1.105975762,1.035678097,3.16E-06,0.516411243,0.483587283,0.16137738,0.152202488,0.032149584,2.141657016,1.145441635,3.287102269,0.499997788,0.345729452,1.393628363,1.315499097,5.67E-06,0.514418559,0.485579347,0.256238273,0.245557271,0.103792277,2.709133134,1.833332225,4.542475761,0.499996858,0.605587821,1.970909352,1.877060849,1.07E-05,0.512193119,0.487804094,0.512485191,0.499950439,0.370724542,3.847980925,3.699558047,7.547578645,0.49999582,1.383160172,1.54659059,1.464296445,7.01E-06,0.5136649,0.486332771,0.315573227,0.304249142,0.158512841,3.010894047,2.264688216,5.275598143,0.499996507,0.77833521,2.101139131,2.0037442,1.19E-05,0.511861821,0.488135289,0.582448169,0.569710804,0.453667726,4.104895194,4.210194045,8.315139185,0.499995665,1.605826699,1.967297976,1.873547817,1.07E-05,0.512202938,0.487794278,0.510608829,0.498080827,0.368543676,3.840856485,3.685867896,7.526763792,0.499995824,1.377233332 +UMLKV0125,L,TOLUENE,CC1=CC=CC=C1,C7H8,Aromatic (single ring),Aromatics,108-88-3,2.686269741,PubChem,,0.5605,0,1.8498,3.42176004,35.2378,17.654344,6,6,15,7,8,0,7,0,0,0,0,0,0,0,0,0,1017.977359,1106.705551,1314.553304,943.312445,311.816905,56.556864,3.048192,0,0,3213.288268,3882.511243,4972.96246,4307.178581,2225.930359,707.6164209,93.25123329,0,0,106.531324,109.724668,173.008736,192.693812,167.254372,82.21824,20.155392,0,0,23.07920324,28.43065448,38.12111474,35.7667492,21.71110508,8.011080479,1.333838715,0,0,2366.901709,2112.540874,3559.700925,4129.848247,3966.563997,2091.831407,554.7529561,0,0,34.77777778,42,58,58.66666667,39.66666667,16,3,0,0,67.86515727,73.78037007,54.77305433,34.93749796,12.99237104,4.713072,1.016064,0,0,214.2192178,258.8340829,207.2067692,159.5251326,92.74709829,58.96803508,31.08374443,0,0,7.102088267,7.314977867,7.208697333,7.136807852,6.968932167,6.85152,6.718464,0,0,1.538613549,1.895376965,1.588379781,1.324694415,0.904629378,0.66759004,0.444612905,0,0,157.7934473,140.8360583,148.3208719,152.9573425,165.2734999,174.3192839,184.917652,0,0,2.318518519,2.8,2.416666667,2.172839506,1.652777778,1.333333333,1,0,0,0.043872186,7.57E-04,-0.012880025,-0.02024884,-0.005060112,0.01035384,0.005141992,0,0,451.9797669,3.06E-13,-37.12690943,-264.7310063,-93.62438029,90.39595339,79.09645921,0,0,840.4756768,5.68E-14,-69.03907345,-492.2786107,-174.0985331,168.0951354,147.0832434,0,0,0.088539733,9.45E-16,-0.007272907,-0.051858987,-0.018340373,0.017707947,0.015494453,0,0,3.75731733,1.11E-16,-0.308636781,-2.200714436,-0.778301447,0.751463466,0.657530533,0,0,20.40980737,4.71E-14,-1.676519891,-11.95431575,-4.227745812,4.081961474,3.57171629,0,0,3.481481481,-0.37037037,0.222222222,-2,-0.777777778,0.592592593,0.592592593,0,0,0.002924812,5.05E-05,-5.37E-04,-7.50E-04,-2.11E-04,8.63E-04,0.001713997,0,0,30.13198446,2.04E-14,-1.546954559,-9.804852087,-3.901015846,7.532996116,26.3654864,0,0,56.03171179,3.79E-15,-2.876628061,-18.23254114,-7.254105544,14.00792795,49.02774782,0,0,0.005902649,6.30E-17,-3.03E-04,-0.001920703,-7.64E-04,0.001475662,0.005164818,0,0,0.250487822,7.40E-18,-0.012859866,-0.081507942,-0.032429227,0.062621956,0.219176844,0,0,1.360653825,3.14E-15,-0.069854995,-0.442752435,-0.176156076,0.340163456,1.190572097,0,0,0.232098765,-0.024691358,0.009259259,-0.074074074,-0.032407407,0.049382716,0.197530864,0,0,0.017255851,-0.183487905,-0.256412017,-0.072085992,0.295000125,0.586019573,0,0,6.76E-16,-0.051339286,-0.325396825,-0.129464286,0.25,0.875,0,0,6.76E-17,-0.051339286,-0.325396825,-0.129464286,0.25,0.875,0,0,1.07E-14,-0.051339286,-0.325396825,-0.129464286,0.25,0.875,0,0,2.95E-17,-0.051339286,-0.325396825,-0.129464286,0.25,0.875,0,0,2.31E-15,-0.051339286,-0.325396825,-0.129464286,0.25,0.875,0,0,-0.106382979,0.039893617,-0.319148936,-0.13962766,0.212765957,0.85106383,0,0,0.944384683,1.097895847,1.248592783,0.984799144,0.548670436,0.184499874,0,0,1,1.015625,1.25,1.015625,0.625,0,0,0,1,1.015625,1.25,1.015625,0.625,0,0,0,1,1.015625,1.25,1.015625,0.625,0,0,0,1,1.015625,1.25,1.015625,0.625,0,0,0,1,1.015625,1.25,1.015625,0.625,0,0,0,1.117021277,0.875,1.265957447,1.042553191,0.670212766,0,0,0,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,19.08329983,9.350309923,13.70634192,19.07921819,2.725602599,9.350652787,-0.028571429,0.188653171,0.026950453,-1.167491516,74.42522834,10.63217548,3.016856482,0,11.85,12.15006846,-0.210179625,0.089903792,5.768181322,7.500882457,7,15,12,9,1,3,0,0,0,6,8.745656,3.765416021,2.875673982,2.619181914,2.07300089,0.941428501,0.758222679,0.307866889,0.083923071,1.968342676,1.412036142,1.082250302,0.83114831,0.310513972,0.232961051,0.083923071,0.083923071,3.777737878,2.906585378,2.645815032,2.132252827,1.053336623,0.88274137,0.445525863,0.270913902,1.93529437,1.327827619,1.007167592,0.732846177,0.150156259,0.065219542,0.270913902,0.270913902,3.833794233,3.054562707,2.771820215,2.377281051,1.517793787,1.392274143,0.956863265,0.943918427,1.845410498,1.08613326,0.798620231,0.42315009,0.396843083,0.515592156,0.943918427,0.943918427,3.786906761,2.930047673,2.665925019,2.175105381,1.134811365,0.973074417,0.541478295,0.399277246,1.914955466,1.274383397,0.960278991,0.668747584,0.041902902,0.048582902,0.399277246,0.399277246,3.862417112,3.132507981,2.838078588,2.48756005,1.721464227,1.611361544,1.207644823,1.207644823,1.819269484,1.015368102,0.738564276,0.317644508,0.594311107,0.729436768,1.15957793,1.207644823,3.790012053,2.946255921,2.705142425,2.218788872,1.217490681,1.055013792,0.592427746,0.512195122,1.905765741,1.228574674,0.905650187,0.616845831,0.056187812,0.148687862,0.512195122,0.512195122,0,0,0,5,1,1,0,0,0,0,0,0,0.102062073,0.102062073,0,0,0,0.032075015,0.032075015,0.288675135,0,0,0,0.166666667,0,0,0,0.40824829,0.433012702,0.40824829,0.19245009,0.166666667,0.12830006,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,4.386751346,2.410683603,1.654700538,0.940455735,0.534377897,0.303561201,0.06415003,0,0.626678764,0.344383372,0.206837567,0.117556967,0.066797237,0.03794515,0.032075015,0,9.167311215,14.55134741,13.90196078,14.04,10.19421796,112.3411042,0.611154081,0.970089828,0.926797386,0.936,0.679614531,7.489406946,1.71462,30.082,25.81164286,34.91599912,51.62328572,7.374755103,25.81164286,0.063309915,0.009044274,-1.931799329,26.80913824,3.829876892,2.302119966,45,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,5,0,0,0,0,0,0,0,0,1,0,0,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.58333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.153194444,0,0,0,0,2.153194444,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,10.26157407,0,0,0,0,1.321759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.321759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,0,0,0,0.422222222,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,2.020833333,0,0,0,0,1.321759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.44,0,0,0,0,0.44,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,2.083333333,0,0,0,0,1.321759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.952380952,0.44,2.083333333,0.1875,1.321759259,4.2325625,0.344907407,0.083333333,0.689814815,0.344907407,0.083333333,0.689814815,3.5,0.5,0,0,0.48667,0.7,0.43333,0.43333,0.7,0.05333,0.05333,0,0,0.71429,0,0,0.14286,0.14286,0,9.5,1.35714,3.5,0.5,6,0.85714,2.5,0.35714,0,0,2.78594,0.39799,6.62679,3.84085,0.54869,1.35326,0.19332,3.39384,2.04058,0.29151,0.02016,0.00288,0.10616,0.01517,0.4,7,0,0,0,0,0,0,0.142857143,0.996791632,2.041946032,2.36559623,2.872905595,3.006238929,2.872905595,14.95187448,30.62919048,35.48394346,43.09358393,45.09358393,43.09358393,0.255136817,0.522652473,0.605493339,0.735343242,0.769470978,0.735343242,2.910098964,1.864944563,1.541294365,1.033985,0.900651667,1.033985,0.23904306,0.489684115,0.567299467,0.688958577,0.720933573,0.688958577,6.644859528,13.59134937,17.47515175,20.00524452,18.12080749,17.98643082,25.42029908,23.00989851,20.1702396,17.55180316,19.08518437,19.33943645,5.142857143,2.34375,1.5,0,6,0,2.23,0.8573,0,1.850535862,1,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,3.42,8,8,8,8,2,0,0,0,0,48,2.397895273,2.862200881,3.248434627,3.640870235,4.037553728,2.784239339,0,0,0,0,5.119489699,3.463541667,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,0,3,4,0.333333333,1,0.444444444,0.1875,0.111111111,0,0,0,0,0,0,0.142857143,0.055555556,0.0375,0.111111111,0,0,0,0,0,0,0.34702381,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,0,98.46251628,3.807354922,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,71.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.388905171,92.06260026,6.137506684,13.67682532,1.953832189,0,0,0,42,5,2.474,30,1.228620249,2.169154658,3.027831434,3.853973214,4.915824513,5.732538454,0,0,0,0,99.32603367,128.0621471,108.3484474,53.40161996,22.78420042,5.824625951,0,0,0,0,338.2845852,473.5341237,493.9717822,373.1626646,286.9769563,178.1887602,0,0,0,0,9.015098242,15.68185143,21.64853859,26.91873561,33.6670341,38.51385323,0,0,0,0,2.438709299,3.585189849,4.088898066,3.601267001,3.258569141,2.548760574,0,0,0,0,171.3052152,318.6294216,460.0733268,632.2284801,858.0250833,1060.047551,0,0,0,0,3.548368201,5.411829214,6.690545286,6.535514595,6.51977092,5.732538454,0,0,0,0,0.50095289,0.743748609,0.861549758,0.779102857,0.724083456,0.587011938,0,0,0,0,208.2127183,81.74242267,10.12659926,86.98696994,-34.15029457,-4.981305312,121.2257484,115.8927172,15.10790457,0.705328381,0.276905518,0.034304234,0.294671619,-0.115685402,-0.016874358,61.46432953,24.13033769,2.989368944,25.67852641,-10.08115631,-1.470479775,0.157976185,0.157267841,4.078381183,2.126720455,295.1996882,0,1,0,540.6395164,23.25165621,8.146466238,619.1973665,24.88367671,8.523337786,835.3178834,28.90186643,9.417824499,1.625780523,1.625780523,271.5903268,186.8193823,88.14246263,1.453758831,3.081265472,2.119516255,3.353501576,3.785389562,5.736871498,0.515530014,2.639615722,1.872839511,3.296951735,6.216241405,0.015703019,3.157315437,2.29777692,2.688998165,0.825492883,0.375694394,0.002381322,8.99E-26,7.25E-70,1.22E-135,4.17E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.221634264,1.872778166,0.264726363,2.197550668,0.001775231,0.201910116,0.225303301,0.183764026,0.005841898,0.00332421,1.68E-05,6.33E-28,5.10E-72,8.58E-138,2.93E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.715195829,1.87278246,0.86181118,2.581673168,0.004617971,0.527812427,0.645135184,0.620760562,0.060658147,0.029316176,1.75E-04,6.60E-27,5.32E-71,8.94E-137,3.06E-224,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.49158863,1.872832845,3.103588779,5.815914726,0.014850293,2.878267242,2.169768042,2.509318058,0.735518496,0.335203897,0.002121715,8.01E-26,6.46E-70,1.09E-135,3.71E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.054010371,1.872787851,1.278180992,2.974871487,0.006569488,0.833887752,0.934287994,0.942828509,0.131688984,0.062009847,3.80E-04,1.43E-26,1.16E-70,1.94E-136,6.64E-224,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.187693417,1.872867498,4.021667165,7.873673,0.018860369,4.301913645,2.773023213,3.384147424,1.203812838,0.545702985,0.003472934,1.31E-25,1.06E-69,1.78E-135,6.08E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.385029616,1.731608989,1.598808389,3.496679939,0.008476251,1.164904998,1.218200876,1.267785269,0.216658126,0.100875263,6.25E-04,2.36E-26,1.90E-70,3.19E-136,1.09E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.276735353,1.690829113,0.111499579,0.645145508,0.332901711,0.564606018,0.467262948,0.133353426,5.079064045,6.094280878,11.79109714,0.467718262,1.165222392,2.057805299,0.939027824,0.01829864,0.682492661,0.311438404,0.222676311,0.144105854,0.003591677,3.015131763,1.987174403,5.037665294,0.523738991,0.370373842,2.464919506,1.190124521,0.049427124,0.665390391,0.321267051,0.319499195,0.231486165,0.026205323,3.704471151,3.114219461,6.963688102,0.498085586,0.577190682,3.237395043,1.666565162,0.108491571,0.645870561,0.332485027,0.551130214,0.453947533,0.126255341,5.012451776,5.92736814,11.52516772,0.468805842,1.131333088,2.675228073,1.319836862,0.065507585,0.658830266,0.325037136,0.37634438,0.284699912,0.046030073,4.060572519,3.792571679,8.084442611,0.488245399,0.707074364,3.403949887,1.769291301,0.121226558,0.642925795,0.334177369,0.609296818,0.511638516,0.157635178,5.294467747,6.649713149,12.67427741,0.465654746,1.278570512,3.235853692,1.665539947,0.108220252,0.645928761,0.332468726,0.550605604,0.453388455,0.125624649,5.009613891,5.919873642,11.51273448,0.468893141,1.129618707 +UMLKV0126,L,ETHYLBENZENE,CCC1=CC=CC=C1,C8H10,Aromatic (single ring),Aromatics,100-41-4,2.814969429,PubChem,,0.6537,0,1.5147,2.29431609,40.0862,20.74793,6,6,18,8,10,0,8,0,0,0,0,0,0,0,0,0,1164.273608,1275.183848,1508.261841,1250.044159,670.955547,289.634857,56.556864,3.048192,0,3698.972658,4535.501378,5886.509572,5455.451468,3699.216372,2058.624615,707.6164209,93.25123329,0,127.508768,131.500448,215.738244,255.20326,211.604268,166.456036,82.21824,20.155392,0,26.75732905,33.4466431,45.80880489,45.12577094,33.08094513,20.37324227,8.011080479,1.333838715,0,2863.531369,2545.580326,4483.903124,5646.065419,4769.052691,4030.154205,2091.831407,554.7529561,0,39.02777778,47.16666667,67.16666667,70.66666667,55.66666667,37.5,16,3,0,64.68186711,70.84354711,50.2753947,34.72344886,22.3651849,12.06811904,4.713072,1.016064,0,205.498481,251.9722988,196.2169857,151.5403185,123.3072124,85.77602562,58.96803508,31.08374443,0,7.083820444,7.305580444,7.1912748,7.088979444,7.0534756,6.935668167,6.85152,6.718464,0,1.48651828,1.858146839,1.526960163,1.253493637,1.102698171,0.848885095,0.66759004,0.444612905,0,159.0850761,141.4211292,149.4634375,156.8351505,158.968423,167.9230919,174.3192839,184.917652,0,2.168209877,2.62037037,2.238888889,1.962962963,1.855555556,1.5625,1.333333333,1,0,0.04788747,-0.001151418,-0.01550177,-0.009323014,-0.012553398,0.005902742,0.004368538,0.004314585,0,538.0711511,3.13E-13,-76.22674641,-67.25889389,-264.5516493,-4.483926259,71.74282015,71.74282015,0,1000.566282,-7.11E-14,-141.7468899,-125.0707852,-491.9450886,-8.33805235,133.4088376,133.4088376,0,0.105404444,1.52E-15,-0.014932296,-0.013175556,-0.051823852,-8.78E-04,0.014053926,0.014053926,0,4.472996822,4.05E-15,-0.63367455,-0.559124603,-2.199223437,-0.037274974,0.596399576,0.596399576,0,24.29738973,4.44E-14,-3.442130211,-3.037173716,-11.94621662,-0.202478248,3.239651964,3.239651964,0,3.841049383,-0.137345679,-0.255144033,-0.172839506,-1.968106996,-0.172325103,0.309670782,0.475565844,0,0.002660415,-6.40E-05,-5.17E-04,-2.59E-04,-4.18E-04,2.46E-04,3.64E-04,0.001438195,0,29.89284173,1.74E-14,-2.540891547,-1.868302608,-8.81838831,-0.186830261,5.978568346,23.91427338,0,55.58701566,-3.95E-15,-4.724896331,-3.474188479,-16.39816962,-0.347418848,11.11740313,44.46961253,0,0.005855802,8.46E-17,-4.98E-04,-3.66E-04,-0.001727462,-3.66E-05,0.00117116,0.004684642,0,0.248499823,2.25E-16,-0.021122485,-0.015531239,-0.073307448,-0.001553124,0.049699965,0.198799859,0,1.349854985,2.47E-15,-0.114737674,-0.084365937,-0.398207221,-0.008436594,0.269970997,1.079883988,0,0.213391632,-0.007630316,-0.008504801,-0.004801097,-0.065603567,-0.007180213,0.025805898,0.158521948,0,-0.024044254,-0.194227463,-0.097342939,-0.157286208,0.092447074,0.136837597,0.540590514,0,5.81E-16,-0.085,-0.0625,-0.295,-0.00625,0.2,0.8,0,-7.10E-17,-0.085,-0.0625,-0.295,-0.00625,0.2,0.8,0,1.44E-14,-0.085,-0.0625,-0.295,-0.00625,0.2,0.8,0,9.06E-16,-0.085,-0.0625,-0.295,-0.00625,0.2,0.8,0,1.83E-15,-0.085,-0.0625,-0.295,-0.00625,0.2,0.8,0,-0.035757332,-0.039855364,-0.022498996,-0.307432704,-0.033648051,0.120932101,0.742868622,0,1.037989453,1.092800598,1.034797131,1.17255776,0.827777597,0.703998097,0.262700961,0,1.0625,1.08375,1.009375,1.21125,0.8765625,0.6375,0,0,1.0625,1.08375,1.009375,1.21125,0.8765625,0.6375,0,0,1.0625,1.08375,1.009375,1.21125,0.8765625,0.6375,0,0,1.0625,1.08375,1.009375,1.21125,0.8765625,0.6375,0,0,1.0625,1.08375,1.009375,1.21125,0.8765625,0.6375,0,0,1.106468461,0.985576537,0.942547208,1.268340699,0.945108477,0.737645641,0,0,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,29.58989952,14.52678098,22.56708671,29.5676773,3.695959662,14.52678306,-0.088888889,0.390319451,0.048789931,-0.752631815,44.37253524,5.546566905,3.034096562,0,11.85,12.15008271,-0.210048528,0.090052896,5.447589186,8.129630703,8,18,15,12,2,3,0,0,0,6,10.93207,3.778338104,3.075106369,2.619181914,2.448940185,1.606133526,0.941428501,0.75010044,0.300101453,1.980511646,1.597047606,1.082250302,1.02499888,0.704115424,0.310513972,0.232431167,0.083923071,3.790516618,3.108532991,2.645815032,2.486516783,1.696155841,1.053336623,0.876575401,0.439305893,1.947260401,1.520375278,1.007167592,0.937107614,0.573754293,0.150156259,0.064536432,0.270913902,3.846032039,3.261037153,2.771820215,2.652915224,2.065523568,1.517793787,1.390101534,0.95638392,1.857564115,1.292203597,0.798620231,0.686507289,0.133546331,0.396843083,0.517420027,0.943918427,3.799583847,3.133513591,2.665925019,2.51424211,1.761202509,1.134811365,0.968002687,0.536342993,1.926879097,1.471135889,0.960278991,0.881838091,0.486048778,0.041902902,0.049400346,0.399277246,3.87446845,3.33728395,2.838078588,2.735176144,2.228105818,1.721464227,1.609909583,1.207644823,1.831627387,1.221738067,0.738564276,0.610498143,0.023603472,0.594311107,0.732186947,1.161353349,3.817371663,3.127691873,2.733079799,2.555167963,1.79092411,1.237867602,1.069479236,0.607031115,1.913847807,1.444075762,0.880194891,0.827340462,0.42168787,0.074082655,0.166758469,0.527472527,0,0,0,5,1,1,1,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.49279928,0.594861352,0.49279928,0.253933894,0.253933894,0.169289262,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,5.093858127,2.971343774,1.83915195,1.251072953,0.713712832,0.407100273,0.123928341,0.045360921,0.636732266,0.371417972,0.204350217,0.125107295,0.071371283,0.040710027,0.030982085,0.022680461,10.70913902,17.43918427,16.62745098,16.8,11.99277246,135.3693593,0.594952168,0.96884357,0.923747277,0.933333333,0.666265136,7.52051996,2.249,35.82,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,2,0,0,5,0,0,0,0,0,0,0,0,1,0,1,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.86490741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.095,0,0.645277778,0,0,2.095,0,0,0,0,0,0,0,0,2.162037037,0,1.139722222,0,0,10.45518519,0,0,0,0,1.409722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.409722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0.285972222,0,0,0.406597222,0,0,0,0,0,0,0,0,2.162037037,0,1.139722222,0,0,2.040833333,0,0,0,0,1.409722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.138888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.433055556,0,0.359305556,0,0,0.433055556,0,0,0,0,0,0,0,0,2.162037037,0,1.139722222,0,0,2.138888889,0,0,0,0,1.409722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.16666667,1.895833333,0.433055556,2.162037037,0.159722222,1.139722222,4.891390926,0.360277778,0.162037037,1.234444444,0.360277778,0.162037037,1.234444444,4,0.5,0,0,0.47778,0.7,0.43333,0.43333,0.7,0.04444,0.04444,0,0,0.71429,0,0,0.125,0.125,0,10,1.25,4,0.5,6,0.75,2,0.25,0,0,3.90009,0.48751,8.02289,4.12281,0.51535,1.94966,0.24371,3.93185,1.98218,0.24777,-0.01785,-0.00223,0.06815,0.00852,0.333333333,8,0,0,0,0,0,0,0.25,0.99107606,2.234984922,2.774401919,3.308270835,3.572431251,3.308270835,17.83936908,40.2297286,49.93923455,59.54887502,64.30376252,59.54887502,0.237672394,0.535977247,0.665336168,0.793364589,0.85671355,0.793364589,3.178848942,1.934940079,1.395523082,0.861654167,0.59749375,0.861654167,0.225638533,0.508839573,0.631648775,0.753194844,0.813336311,0.753194844,6.714395846,15.53453833,19.04285928,22.48460326,22.75083074,19.58090574,29.66949396,24.70322396,20.71495057,16.56023473,15.96274098,19.54770348,6.125,3.111111111,1.8,2,6,2,2.34,0.9982,0,2.00414513,0.5,0,7.732315986,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,3.919,9,10,10,10,4,2,0,0,0,61,2.48490665,2.917770732,3.358637767,3.752440936,4.150055169,3.270044111,2.784239339,0,0,0,5.346214275,3.423155738,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,2,0.25,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,0,115.7585009,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,106.0782503,5.893236129,15.69266546,1.961583183,0,0,0,64,7,2.938,34,1.232127986,2.167551661,2.978890941,3.844102222,4.583801355,5.496638831,6.220278543,0,0,0,96.47528551,117.8734334,108.7637669,93.02847258,58.56735403,25.49527965,6.320201097,0,0,0,331.9271515,448.7318028,470.1371881,493.6253954,408.5537546,321.0277651,193.3495485,0,0,0,9.03080713,15.63249621,21.17383392,27.1566162,31.8511339,37.64554702,41.79071746,0,0,0,2.40593799,3.446635947,3.858917542,4.357022195,4.003514552,3.644726325,2.765616112,0,0,0,172.4187124,320.849613,462.9208533,608.0778515,765.0916594,959.3477307,1150.239303,0,0,0,3.327001279,4.994226217,5.987842291,7.250041466,7.308954228,7.291815075,6.220278543,0,0,0,0.494734492,0.71690508,0.812876677,0.928724972,0.869167433,0.809872067,0.636956523,0,0,0,240.0242237,105.9257391,10.65412288,81.92373705,-36.1539859,-4.781169785,158.1004867,142.079725,15.43529266,0.745537332,0.329015096,0.033092686,0.254462668,-0.112297608,-0.014850753,77.27530936,34.10257571,3.430073134,26.37518008,-11.63970204,-1.539287863,0.140554929,0.139904669,3.535345639,1.891919658,321.9479608,0,1,0,602.7210856,24.55037852,8.447057718,700.6530078,26.46985092,8.881800151,969.535829,31.1373703,9.897403764,1.77494952,1.77494952,392.1575765,320.6629682,107.029726,1.22295873,3.664006172,2.996017838,3.753839471,3.785524729,6.661528955,0.759737271,3.197416829,2.821356819,3.479769094,8.057634602,4.012685415,3.507567048,3.561349468,3.91434869,3.440288179,2.690364695,1.746453417,0.549171909,1.80E-05,4.16E-31,1.96E-78,1.86E-147,3.51E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0.268446646,2.821253369,0.277055038,3.116040792,0.963957297,1.196584823,0.262529379,0.837052438,0.540023393,0.186568429,0.07852217,0.003867863,1.27E-07,2.93E-33,1.38E-80,1.31E-149,2.47E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0.866311904,2.821260555,0.903595604,3.597640697,1.263460585,1.602435804,0.806647968,1.371286835,0.950044058,0.628105668,0.298316298,0.040306111,1.32E-06,3.06E-32,1.44E-79,1.37E-148,2.58E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,3.018107373,2.821345557,3.274078191,7.568648648,3.711846,3.342787833,3.31367691,3.692737501,3.198355708,2.512482794,1.601656158,0.489302284,1.61E-05,3.71E-31,1.75E-78,1.66E-147,3.13E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,1.27672766,2.821269624,1.341772794,4.084746305,1.564908318,1.900597874,1.218542626,1.765905043,1.285545566,0.951855291,0.485026368,0.087550259,2.87E-06,6.64E-32,3.13E-79,2.97E-148,5.59E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,3.861319036,2.821404109,4.252276169,10.07984664,5.256222143,4.144128596,4.530282411,4.772595489,4.409154262,3.376914221,2.331041178,0.800915617,2.63E-05,6.07E-31,2.86E-78,2.71E-147,5.12E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,1.701678481,2.396487163,1.769637182,4.383235991,2.061906597,2.347466492,1.728822478,2.163383445,1.757908138,1.35391928,0.72556628,0.1527946,5.01E-06,1.16E-31,5.46E-79,5.18E-148,9.76E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,4.097047474,1.517507408,0.403595622,0.680781823,0.252155111,0.572840039,0.438784969,0.282292953,6.018150504,8.483309663,17.01073518,0.521172735,1.293917961,2.958917988,0.841450761,0.169651946,0.745315507,0.211951228,0.298859634,0.13508198,0.049917895,3.970020695,3.134523747,7.526941108,0.617973261,0.483859508,3.349355568,1.073429626,0.249925534,0.716790694,0.229723107,0.382890143,0.219728722,0.108302674,4.672710729,4.700664449,10.27193183,0.575186042,0.710921538,4.061726859,1.496533368,0.396337575,0.682116071,0.251324005,0.563008438,0.426754904,0.272236872,5.954597802,8.281457156,16.64519678,0.523174107,1.262000214,3.546919407,1.190787799,0.290536081,0.705399322,0.236819846,0.429372935,0.270341065,0.146338846,5.028243287,5.600103238,11.85546295,0.558098984,0.846052846,4.210646571,1.584962358,0.426938438,0.676675696,0.254712783,0.605037913,0.478606271,0.315869851,6.222547367,9.148084542,18.21989793,0.515013544,1.399514036,4.063590645,1.497373563,0.395527447,0.682212094,0.251385152,0.563497625,0.427196243,0.271139614,5.956491655,8.284227176,16.64738991,0.523318141,1.261833482 +UMLKV0127,L,O-XYLENE,CC1=CC=CC=C1C,C8H10,Aromatic (single ring),Aromatics,95-47-6,2.805383166,PubChem,,0.7415,0,2.2962,5.27253444,39.5198,20.74793,6,6,18,8,10,0,8,0,0,0,0,0,0,0,0,0,1164.273608,1275.183848,1618.236826,1423.517096,611.441042,119.210112,6.096384,0,0,3698.972658,4535.501378,6027.984113,6005.592007,4078.855785,1601.735308,186.5024666,0,0,127.508768,131.500448,215.362792,237.067424,253.887176,204.747264,40.310784,0,0,26.75732905,33.4466431,46.14629777,48.14301353,38.0868553,18.68983839,2.667677429,0,0,2863.531369,2545.580326,4521.165141,4937.803854,5714.116169,5293.168726,1109.505912,0,0,39.55555556,48.11111111,67.33333333,74.33333333,67.33333333,38,6,0,0,64.68186711,70.84354711,53.94122753,43.1368817,16.98447339,3.9736704,1.016064,0,0,205.498481,251.9722988,200.9328038,181.9876366,113.3015496,53.39117695,31.08374443,0,0,7.083820444,7.305580444,7.178759733,7.183861333,7.052421556,6.8249088,6.718464,0,0,1.48651828,1.858146839,1.538209926,1.458879198,1.057968203,0.622994613,0.444612905,0,0,159.0850761,141.4211292,150.7055047,149.6304198,158.7254491,176.4389575,184.917652,0,0,2.197530864,2.672839506,2.244444444,2.252525253,1.87037037,1.266666667,1,0,0,0.042011374,0.00113106,-0.00465623,-0.017417678,-0.026637868,0.016286619,0.010288411,0,0,538.0711511,2.98E-13,98.6463777,-286.9712806,-511.1675936,286.9712806,143.4856403,0,0,1000.566282,-7.11E-14,183.4371517,-533.6353504,-950.5379679,533.6353504,266.8176752,0,0,0.105404444,1.52E-15,0.019324148,-0.056215704,-0.100134222,0.056215704,0.028107852,0,0,4.472996822,4.16E-15,0.820049417,-2.385598305,-4.24934698,2.385598305,1.192799152,0,0,24.29738973,4.40E-14,4.45452145,-12.95860785,-23.08252024,12.95860785,6.479303927,0,0,3.901234568,-0.679012346,1.028806584,-1.041152263,-3.975308642,1.720164609,0.995884774,0,0,0.002333965,6.28E-05,-1.55E-04,-5.28E-04,-7.40E-04,5.43E-04,0.001714735,0,0,29.89284173,1.66E-14,3.28821259,-8.696099412,-14.19909982,9.565709353,23.91427338,0,0,55.58701566,-3.95E-15,6.114571723,-16.17076819,-26.40383244,17.78784501,44.46961253,0,0,0.005855802,8.46E-17,6.44E-04,-0.001703506,-0.002781506,0.001873857,0.004684642,0,0,0.248499823,2.31E-16,0.027334981,-0.072290858,-0.118037416,0.079519943,0.198799859,0,0,1.349854985,2.44E-15,0.148484048,-0.392685086,-0.641181118,0.431953595,1.079883988,0,0,0.216735254,-0.037722908,0.034293553,-0.031550069,-0.11042524,0.05733882,0.165980796,0,0,0.026922699,-0.06649956,-0.226142374,-0.317031624,0.232602992,0.734687544,0,0,5.55E-16,0.11,-0.290909091,-0.475,0.32,0.8,0,0,-7.10E-17,0.11,-0.290909091,-0.475,0.32,0.8,0,0,1.44E-14,0.11,-0.290909091,-0.475,0.32,0.8,0,0,9.31E-16,0.11,-0.290909091,-0.475,0.32,0.8,0,0,1.81E-15,0.11,-0.290909091,-0.475,0.32,0.8,0,0,-0.174050633,0.158227848,-0.14556962,-0.509493671,0.264556962,0.765822785,0,0,0.977767684,1.007673912,1.2804113,1.246278799,0.55488696,0.233957644,0,0,1.0625,0.8925,1.275,1.38125,0.51,0,0,0,1.0625,0.8925,1.275,1.38125,0.51,0,0,0,1.0625,0.8925,1.275,1.38125,0.51,0,0,0,1.0625,0.8925,1.275,1.38125,0.51,0,0,0,1.0625,0.8925,1.275,1.38125,0.51,0,0,0,1.264240506,0.742405063,1.100402762,1.506329114,0.581012658,0,0,0,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,25.80371302,12.63947897,17.28024625,25.77871302,3.222339127,12.63949246,-0.05,0.170468282,0.021308535,-1.415364823,180.8229575,22.60286969,4.158014734,0,11.89,12.11011416,-0.153572681,0.066679311,6.076517438,8.135706971,8,18,15,12,2,3,0,0,0,6,10.93207,3.80402576,2.90795096,2.82224519,2.2840747,1.849087084,0.762088806,0.757343017,0.083923071,1.990836888,1.414070796,1.410684643,0.967505521,0.642456651,0.240317338,0.017405256,0.083923071,3.814961154,2.937007014,2.856180768,2.337690339,1.911715578,0.884873518,0.871721925,0.270913902,1.959441359,1.331448037,1.322266262,0.878049989,0.53889727,0.072857973,0.114294004,0.270913902,3.865369425,3.075578314,3.020159645,2.558179261,2.168564572,1.399718817,1.318436933,0.943918427,1.875952483,1.105089135,1.055275398,0.599306628,0.21632519,0.507877804,0.601574622,0.943918427,3.823131875,2.959027702,2.882037162,2.376388319,1.956880895,0.976843348,0.951179337,0.399277246,1.940303412,1.281274819,1.263652779,0.820034811,0.471833165,0.04078926,0.206484562,0.399277246,3.891532095,3.148440862,3.106818782,2.657056976,2.283298423,1.619268826,1.50782532,1.207644823,1.85220322,1.038929329,0.976578969,0.504666614,0.106344136,0.722573095,0.787776827,1.207644823,3.816796135,2.99042733,2.918477145,2.443380612,1.992665874,1.07434737,1.010212234,0.52173913,1.941170267,1.220615524,1.201263501,0.746473786,0.42637853,0.152342848,0.267686842,0.52173913,0,0,0,4,2,2,0,0,0,0,0,0,0.083333333,0.166666667,0,0,0,0.027777778,0.055555556,0.471404521,0,0.166666667,0,0.288675135,0,0.083333333,0,1.138071187,1.040440115,1.138071187,0.622008468,0.455341801,0.414672312,5.983127663,3.804530453,3.239024819,2.540336414,1.501661279,1.024377395,0.333333333,0.083333333,0.747890958,0.475566307,0.323902482,0.230939674,0.150166128,0.102437739,0.083333333,0.083333333,5.309401077,2.827350269,2.084258917,1.425569669,0.662677957,0.374002823,0.111111111,0.027777778,0.663675135,0.353418784,0.208425892,0.129597243,0.066267796,0.037400282,0.027777778,0.027777778,10.70913902,17.43918427,16.62745098,16.8,11.99277246,135.3693593,0.594952168,0.96884357,0.923747277,0.933333333,0.666265136,7.52051996,1.74264,33.722,31.15378298,42.72358734,62.30756596,7.788445745,31.15378298,3.33E-16,4.16E-17,-28.51055062,41.24325189,5.155406487,2.975590007,54,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,4,0,0,0,0,0,0,0,0,2,0,0,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.09259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.661944444,0,0,0,0,1.661944444,0,0,0,0,0,0,0,0,4.240740741,0,0,0,0,8.356481481,0,0,0,0,2.736111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.368055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0,0.406597222,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,2.05787037,0,0,0,0,1.368055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.424375,0,0,0,0,0.424375,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,2.12037037,0,0,0,0,1.368055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.33333333,1.916666667,0.424375,2.12037037,0.159722222,1.368055556,4.877810185,0.298611111,0.12037037,1.194444444,0.298611111,0.12037037,1.194444444,4,0.5,0,0,0.47778,0.7,0.43333,0.43333,0.7,0.04444,0.04444,0,0,0.71429,0,0,0.25,0.25,0,10,1.25,4,0.5,6,0.75,2,0.25,0,0,4.20915,0.52614,8.47399,4.26484,0.53311,1.70742,0.21343,3.80452,2.0971,0.26214,0.10948,0.01369,0.19548,0.02444,0.333333333,8,0,0,0,0,0,0,0.25,0.99107606,2.197159723,2.419381946,2.641604168,2.641604168,2.641604168,17.83936908,39.54887502,43.54887502,47.54887502,47.54887502,47.54887502,0.237672394,0.526906293,0.580197952,0.633489611,0.633489611,0.633489611,3.178848942,1.972765278,1.750543056,1.528320834,1.528320834,1.528320834,0.225638533,0.500227901,0.550821289,0.601414678,0.601414678,0.601414678,6.714395846,15.2580338,17.92470047,18.14866158,18.14866158,18.14866158,29.66949396,25.1248139,22.0050139,21.48504723,21.48504723,21.48504723,6.125,2.52,1.487603306,0,6,0,2.34,0.9982,0.333333333,2.746356192,2.828427125,0,3.965406457,4.298279727,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,3.896,10,11,10,10,4,1,0,0,0,62,2.48490665,3.020424886,3.457892725,3.803880847,4.201890189,3.446011397,2.151035195,0,0,0,5.384064924,3.498487903,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,1.5,1.111111111,0.375,0.222222222,0,0,0,0,0,0,0.1875,0.111111111,0.046875,0.111111111,0,0,0,0,0,0,0.456597222,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,0,115.7585009,4,3.610917913,4.369447852,5.153291594,5.932245187,6.717804695,7.501634458,8.287276756,9.072341874,9.857914707,76.50287504,2.833213344,0,4.043051268,0,5.476463552,0,7.00033446,0,8.555836815,8.796490207,106.0782503,5.893236129,15.53340973,1.941676217,0,0,0,60,8,2.866,36,1.231350208,2.153884046,3.046647115,3.822580672,4.468708192,5.750098393,0,0,0,0,96.27497539,127.0224938,137.5267254,68.86344329,18.82367219,5.842467974,0,0,0,0,331.391896,461.8651935,571.838864,448.4080984,246.6335433,178.7345889,0,0,0,0,9.024660361,15.52054232,21.92590697,27.00948005,30.53690935,38.63182905,0,0,0,0,2.402651941,3.484881805,4.550666162,4.149925192,2.848304721,2.55656795,0,0,0,0,172.3376467,320.5194899,453.0536842,602.8301581,785.3968383,1063.294694,0,0,0,0,3.392950518,5.025400425,7.009036361,7.297529309,5.756522435,5.750098393,0,0,0,0,0.494081992,0.722836451,0.952155061,0.890312262,0.634798959,0.588810075,0,0,0,0,233.8521723,96.85195566,9.952212092,103.1515768,-42.72114236,-5.322744102,130.7005955,139.573098,15.27495619,0.69391564,0.28739133,0.029531458,0.30608436,-0.126767558,-0.015794317,78.80905877,32.63947216,3.353932786,34.7624681,-14.39718514,-1.793784718,0.149769187,0.148478697,3.866505788,2.568200138,337.003749,0,1,0,604.8962865,24.59463938,8.457207237,702.6158965,26.50690281,8.890086578,994.7851316,31.54021451,9.982586801,1.272637786,1.208406765,365.9172357,225.2800829,147.3796166,1.624276905,2.482821194,1.528570151,3.690318969,3.785524729,5.780049759,0.52688205,3.1157585,2.872001084,5.182997632,7.584438973,0.23099269,4.432855542,4.835012059,5.207544078,0.321704875,1.319846809,0.017083217,3.52E-23,2.37E-65,3.37E-129,9.38E-215,5.04E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.261593628,2.871879065,0.268061334,3.709885671,0.039745246,0.306369819,0.448259713,0.34234365,0.002314075,0.012800904,1.20E-04,2.48E-25,1.67E-67,2.37E-131,6.61E-217,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844189527,2.871887516,0.974676375,4.179904137,0.072969214,0.853966727,1.340751044,1.166907941,0.023735362,0.105874606,0.001253811,2.58E-24,1.74E-66,2.47E-130,6.88E-216,3.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.941028572,2.871987793,4.777171508,7.233731792,0.217227959,4.075977539,4.565418734,4.850080781,0.286666497,1.178373224,0.015220839,3.13E-23,2.11E-65,3.00E-129,8.36E-215,4.5E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.244123348,2.871898203,1.547820513,4.597827192,0.097502638,1.317379387,1.954290819,1.782984584,0.051437568,0.221348512,0.002723446,5.61E-24,3.78E-66,5.37E-130,1.50E-215,7.9E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.762704777,2.872056906,6.804737465,9.011831666,0.284292518,5.872590722,5.834375055,6.59876291,0.469018846,1.913439817,0.024914267,5.13E-23,3.45E-65,4.91E-129,1.37E-214,7.36E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.696340176,2.687981827,2.093977049,5.021848526,0.11495975,1.849305557,2.648011178,2.498820822,0.087742789,0.371688456,0.004650252,9.57E-24,6.45E-66,9.17E-130,2.55E-215,1.4E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.189333731,2.312523021,0.185824622,0.560744093,0.406584488,0.567887108,0.576490819,0.222242366,5.687681374,8.397788127,15.45600184,0.450992871,1.366620294,2.174190113,1.357503556,0.03175933,0.610135763,0.380951722,0.263924691,0.19870254,0.006491786,3.563452998,3.063635033,6.720824766,0.486631227,0.469119017,2.522466012,1.685168187,0.084617385,0.587678975,0.39260704,0.355244006,0.30618113,0.046082949,4.292251584,4.606818479,9.258759906,0.470429022,0.707508085,3.157833141,2.282890186,0.181044034,0.561715371,0.406080515,0.556725378,0.561815958,0.210954504,5.621767362,8.193996788,15.12090811,0.45169383,1.32949584,2.69868287,1.850949731,0.111361406,0.578992993,0.397114806,0.406607845,0.369372019,0.079816056,4.660994007,5.501779818,10.71903812,0.464161698,0.85579592,3.290645691,2.407827094,0.201199847,0.557767506,0.408128933,0.60453645,0.624969086,0.260540678,5.899672633,9.069837708,16.56367827,0.448844658,1.490046215,3.160475876,2.282685646,0.180717711,0.56197435,0.405891654,0.557657991,0.561717816,0.210194723,5.623879233,8.198048609,15.1256928,0.451799006,1.329570529 +UMLKV0128,L,M-XYLENE,CC1=CC(=CC=C1)C,C8H10,Aromatic (single ring),Aromatics,108-38-3,2.805355856,PubChem,,0.5934,0,2.2962,5.27253444,39.5198,20.74793,6,6,18,8,10,0,8,0,0,0,0,0,0,0,0,0,1164.273608,1275.183848,1618.236826,1302.451087,665.960907,176.61168,15.24096,0,0,3698.972658,4535.501378,6027.984113,5780.464594,3802.065966,1823.89884,466.2561665,0,0,127.508768,131.500448,215.362792,237.043708,251.515884,146.676096,100.77696,0,0,26.75732905,33.4466431,46.14629777,47.13658925,35.07969115,18.70191067,6.669193573,0,0,2863.531369,2545.580326,4521.165141,4932.336942,5910.353707,3438.139232,2773.76478,0,0,39.55555556,48,68.11111111,74.66666667,60.33333333,35,15,0,0,64.68186711,70.84354711,53.94122753,39.46821476,18.49891408,8.41008,1.016064,0,0,205.498481,251.9722988,200.9328038,175.1655938,105.6129435,86.85232572,31.08374443,0,0,7.083820444,7.305580444,7.178759733,7.183142667,6.986552333,6.984576,6.718464,0,0,1.48651828,1.858146839,1.538209926,1.428381492,0.974435865,0.890567175,0.444612905,0,0,159.0850761,141.4211292,150.7055047,149.4647558,164.1764919,163.7209158,184.917652,0,0,2.197530864,2.666666667,2.27037037,2.262626263,1.675925926,1.666666667,1,0,0,0.042001109,0.001537727,-0.003264416,-0.030893485,0.001555872,-0.007196137,0.017259884,0,0,538.0711511,3.27E-13,98.6463777,-408.0372896,-67.25889389,-251.0998705,358.7141007,0,0,1000.566282,-9.95E-14,183.4371517,-758.7627638,-125.0707852,-466.9309316,667.044188,0,0,0.105404444,1.52E-15,0.019324148,-0.079931704,-0.013175556,-0.049188741,0.07026963,0,0,4.472996822,3.72E-15,0.820049417,-3.39202259,-0.559124603,-2.087398517,2.981997881,0,0,24.29738973,4.40E-14,4.45452145,-18.42552054,-3.037173716,-11.33878187,16.19825982,0,0,3.901234568,-0.790123457,1.806584362,-3.522633745,0.283950617,-2.218106996,2.489711934,0,0,0.002333395,8.54E-05,-1.09E-04,-9.36E-04,4.32E-05,-3.43E-04,0.001150659,0,0,29.89284173,1.82E-14,3.28821259,-12.36476635,-1.868302608,-11.95713669,23.91427338,0,0,55.58701566,-5.53E-15,6.114571723,-22.99281102,-3.474188479,-22.23480627,44.46961253,0,0,0.005855802,8.46E-17,6.44E-04,-0.002422173,-3.66E-04,-0.002342321,0.004684642,0,0,0.248499823,2.07E-16,0.027334981,-0.102788563,-0.015531239,-0.099399929,0.198799859,0,0,1.349854985,2.44E-15,0.148484048,-0.558349107,-0.084365937,-0.539941994,1.079883988,0,0,0.216735254,-0.043895748,0.060219479,-0.106746477,0.007887517,-0.105624143,0.165980796,0,0,0.036611584,-0.046633285,-0.401203496,0.018521801,-0.146856051,0.493126509,0,0,6.07E-16,0.11,-0.413636364,-0.0625,-0.4,0.8,0,0,-9.94E-17,0.11,-0.413636364,-0.0625,-0.4,0.8,0,0,1.44E-14,0.11,-0.413636364,-0.0625,-0.4,0.8,0,0,8.31E-16,0.11,-0.413636364,-0.0625,-0.4,0.8,0,0,1.81E-15,0.11,-0.413636364,-0.0625,-0.4,0.8,0,0,-0.202531646,0.277848101,-0.492520138,0.036392405,-0.487341772,0.765822785,0,0,0.967589144,0.998047666,1.479359411,0.977165594,0.962826089,0.09505304,0,0,1.0625,0.8925,1.390909091,0.95625,1.275,0,0,0,1.0625,0.8925,1.390909091,0.95625,1.275,0,0,0,1.0625,0.8925,1.390909091,0.95625,1.275,0,0,0,1.0625,0.8925,1.390909091,0.95625,1.275,0,0,0,1.0625,0.8925,1.390909091,0.95625,1.275,0,0,0,1.291139241,0.62943038,1.540563867,0.820411392,1.452531646,0,0,0,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,25.79125018,12.71880932,18.0863666,25.77875018,3.222343772,12.71882167,-0.05,0,0,0,4000010.951,500001.3688,12.16144613,0,11.85,12.15008271,-0.21004645,0.090053194,5.924375,7.816266735,8,18,15,12,2,3,0,0,0,6,10.93207,3.800632445,2.978981869,2.762974573,2.137605186,2.024738679,0.860890511,0.441365589,0.253203243,1.989439978,1.493916978,1.314765021,0.90192186,0.783323018,0.273486817,0.083923071,0.083923071,3.811772059,3.0085188,2.794146532,2.199274719,2.082600027,0.977923291,0.545672476,0.401991169,1.957882549,1.412300855,1.22747324,0.806161123,0.682662645,0.10993525,0.270913902,0.270913902,3.862952392,3.149926772,2.944768167,2.451527919,2.324156623,1.460601384,0.963720007,0.953535121,1.873665992,1.180117151,0.977203845,0.498101568,0.369849397,0.45126013,0.943918427,0.943918427,3.820086262,3.030937363,2.817868956,2.243741401,2.124567978,1.062971497,0.621114151,0.505640746,1.938619327,1.360731895,1.172002931,0.7432712,0.617333107,6.94E-04,0.399277246,0.399277246,3.889420246,3.224500232,3.025008359,2.563088883,2.434292052,1.670619542,1.207644823,1.207644823,1.849609417,1.11246322,0.904639601,0.390633335,0.264988018,0.655413836,1.133948601,1.171910778,3.816589501,3.042359773,2.866202961,2.307372677,2.181134851,1.156292388,0.647919901,0.582515195,1.934675418,1.319153661,1.099544559,0.674207407,0.552260864,0.109889444,0.52173913,0.52173913,0,0,0,4,2,2,0,0,0,0,0,0,0.083333333,0.166666667,0,0,0,0.027777778,0.055555556,0.577350269,0,0,0,0.333333333,0,0,0,0.741581624,1.093412989,1.020220057,0.359116756,0.470227868,0.36655979,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,5.309401077,2.821367205,2.158154862,1.173575314,0.807015525,0.359116756,0.159223634,0,0.663675135,0.352670901,0.215815486,0.117357531,0.073365048,0.035911676,0.031844727,0,10.70913902,17.43918427,16.62745098,16.8,11.99277246,135.3693593,0.594952168,0.96884357,0.923747277,0.933333333,0.666265136,7.52051996,1.74264,33.722,30.91733718,41.28122386,61.83467437,7.729334296,30.91733718,0,0,0,4000010.293,500001.2866,12.16144599,54,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,4,0,0,0,0,0,0,0,0,2,0,0,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.637638889,0,0,0,0,1.637638889,0,0,0,0,0,0,0,0,4.208333333,0,0,0,0,8.449074074,0,0,0,0,2.675925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.337962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.394444444,0,0,0,0,0.394444444,0,0,0,0,0,0,0,0,2.104166667,0,0,0,0,2.074074074,0,0,0,0,1.337962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.41875,0,0,0,0,0.41875,0,0,0,0,0,0,0,0,2.104166667,0,0,0,0,2.166666667,0,0,0,0,1.337962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.33333333,1.916666667,0.41875,2.166666667,0.171875,1.337962963,4.879458333,0.328703704,0.166666667,1.314814815,0.328703704,0.166666667,1.314814815,4,0.5,0,0,0.47778,0.7,0.43333,0.43333,0.7,0.04444,0.04444,0,0,0.71429,0,0,0.25,0.25,0,10,1.25,4,0.5,6,0.75,2,0.25,0,0,4.13545,0.51693,8.42549,4.29004,0.53626,1.7065,0.21331,3.78768,2.08118,0.26015,0.12632,0.01579,0.21232,0.02654,0.333333333,8,0,0,0,0,0,0,0.25,0.99107606,2.197159723,2.530493057,2.974937501,2.974937501,2.86382639,17.83936908,39.54887502,45.54887502,53.54887502,53.54887502,51.54887502,0.237672394,0.526906293,0.606843782,0.7134271,0.7134271,0.68678127,3.178848942,1.972765278,1.639431945,1.1949875,1.1949875,1.306098611,0.225638533,0.500227901,0.576117984,0.677304761,0.677304761,0.652008066,6.714395846,15.2580338,19.2580338,20.92730881,19.70595603,19.59397548,29.66949396,25.1248139,20.55839723,18.35071112,19.55622501,19.79732779,6.125,2.52,1.8,0,6,0,2.34,0.9982,0.25,3.039342743,2.309401077,0,3.532775529,5.111544834,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,3.896,10,10,11,10,5,0,0,0,0,62,2.48490665,3.020424886,3.409496184,3.852803646,4.201890189,3.595598464,0,0,0,0,5.375856944,3.469758065,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,2,0.666666667,0.5,0.222222222,0,0,0,0,0,0,0.25,0.066666667,0.071428571,0.074074074,0,0,0,0,0,0,0.462169312,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,2.22E-16,2.78E-17,-28.83492271,4000010.414,500001.3017,12.16144602,0,115.7585009,4,3.610917913,4.343805422,5.141663557,5.888877958,6.690842277,7.44132039,8.24407127,8.995288991,9.798182591,76.15497037,2.833213344,0,4.043051268,0,5.451038454,0,6.947937069,0,8.479906607,8.727292029,106.0782503,5.893236129,15.53295821,1.941619777,0,0,0,61,7,2.866,36,1.231350208,2.153884096,3.048006828,3.801921238,5.033060421,5.75809861,0,0,0,0,96.27497539,127.0230877,127.107041,80.01405079,42.56457584,5.850596706,0,0,0,0,331.391896,461.8665856,551.8270398,436.9629257,438.9140267,178.9832656,0,0,0,0,9.024660361,15.52054458,21.92874492,26.67397594,35.16229157,38.68557822,0,0,0,0,2.402651941,3.484889382,4.45845756,3.944669592,4.496520382,2.560124949,0,0,0,0,172.3376467,320.5193794,453.1807557,615.6944526,823.3403233,1064.774075,0,0,0,0,3.384809093,5.095897651,7.009292642,6.680793934,8.409724681,5.75809861,0,0,0,0,0.494081992,0.722837911,0.93508506,0.844808092,0.980014389,0.589629298,0,0,0,0,240.7763734,99.83006889,9.720575199,83.62196423,-34.67111965,-4.403997454,157.1544091,134.5011885,14.12457265,0.742224437,0.307739151,0.029964935,0.257775563,-0.106878229,-0.013575894,78.10745525,32.38470839,3.153338435,27.12682618,-11.24725358,-1.428649453,0.150215797,0.147755314,2.884434414,2.109604246,324.3983376,0,1,0,604.8962865,24.59463938,8.457207237,702.6158965,26.50690281,8.890086578,982.3420843,31.34233693,9.940790395,1.421498417,1.334421864,399.4980654,275.8168409,130.423858,1.448417958,3.06307505,2.114772904,3.795090543,3.785389562,6.367568618,0.682143545,3.1157585,2.872001084,3.327386987,8.027448053,0.160880265,4.018613761,4.41103667,4.071777981,1.971544996,4.031685661,0.765237922,0.345905161,8.48E-18,4.01E-56,3.66E-116,6.45E-198,2.19E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,0.261593628,2.871879065,0.254838737,3.746844774,0.01395851,0.197939448,0.412570178,0.296707105,0.998920709,0.105862948,0.005389794,0.002436238,5.98E-20,2.83E-58,2.58E-118,4.54E-200,1.54E-303,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844189527,2.871887516,0.838090992,4.297649877,0.043947373,0.552512531,1.225605229,0.986851732,1.155123096,0.494931795,0.056164547,0.025387482,6.23E-19,2.95E-57,2.69E-117,4.73E-199,1.61E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,2.941028572,2.871987793,3.123750221,7.651140998,0.151885467,3.634254936,4.165143577,3.812218148,1.897026341,3.645500276,0.681813322,0.308195271,7.56E-18,3.58E-56,3.26E-116,5.74E-198,1.95E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,1.244123348,2.871898203,1.25151624,4.771653016,0.064534085,0.922198585,1.784659803,1.484495067,1.274920078,0.884428422,0.121996505,0.055145003,1.35E-18,6.40E-57,5.84E-117,1.03E-198,3.49E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,3.762704777,2.872056906,4.099004012,9.550467799,0.194184354,5.612557382,5.322728253,5.065117114,2.264457356,5.62715728,1.116027066,0.504470169,1.24E-17,5.85E-56,5.34E-116,9.40E-198,3.19E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,1.696338999,2.686835266,1.514815456,5.587864036,0.087758258,1.383638377,2.335247233,2.025209977,1.498346475,1.371763877,0.2083073,0.094159439,2.31E-18,1.09E-56,9.97E-117,1.76E-198,5.96E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,4.152900762,1.992380639,0.18582572,0.655951745,0.314697035,0.589257875,0.45351132,0.222234263,6.331107121,9.416110416,17.2847691,0.483927617,1.265003458,2.568142385,1.222708234,0.03176021,0.671829412,0.319862076,0.2253605,0.170816521,0.006491846,3.822610829,3.260487051,7.182827761,0.507744118,0.402668867,3.111844286,1.486784735,0.084618344,0.664462934,0.31746876,0.330868612,0.252560869,0.046081815,4.683247364,5.015770952,10.09051715,0.496694402,0.629511296,4.103725219,1.968499074,0.181045126,0.656252745,0.31479518,0.575386083,0.442705644,0.21094687,6.253269419,9.177525905,16.89331031,0.484379117,1.229038598,3.386940511,1.62039151,0.111362403,0.661680544,0.316563439,0.391948137,0.29998696,0.079813684,5.118694425,6.045798177,11.77566836,0.492520816,0.77174878,4.31105839,2.069187744,0.201200966,0.65503199,0.314397079,0.63499245,0.489147434,0.260530971,6.5814471,10.20410087,18.58033889,0.482547985,1.384670855,4.102520715,1.969487289,0.180718805,0.656117057,0.314980544,0.57504854,0.443150533,0.210187127,6.252726809,9.177188431,16.89009832,0.484175586,1.228386199 +UMLKV0129,L,P-XYLENE,CC1=CC=C(C=C1)C,C8H10,Aromatic (single ring),Aromatics,106-42-3,2.805348053,PubChem,,0.6152,0,2.2962,5.27253444,39.5198,20.74793,6,6,18,8,10,0,8,0,0,0,0,0,0,0,0,0,1164.273608,1275.183848,1618.236826,1302.451087,544.894898,231.131545,72.642528,9.144576,0,3698.972658,4535.501378,6027.984113,5780.464594,3576.938553,1547.109022,688.4196982,279.7536999,0,127.508768,131.500448,215.362792,237.043708,251.492168,144.304804,42.705792,60.466176,0,26.75732905,33.4466431,46.14629777,47.13658925,34.07326687,15.69474653,6.68126586,4.001516144,0,2863.531369,2545.580326,4521.165141,4932.336942,5904.886795,3634.376771,918.7352863,1664.258868,0,39.55555556,48,68,75.44444444,60.66666667,28,12,9,0,64.68186711,70.84354711,53.94122753,39.46821476,15.13596939,11.00626405,12.107088,1.016064,0,205.498481,251.9722988,200.9328038,175.1655938,99.35940425,73.67185819,114.7366164,31.08374443,0,7.083820444,7.305580444,7.178759733,7.183142667,6.985893556,6.871657333,7.117632,6.718464,0,1.48651828,1.858146839,1.538209926,1.428381492,0.946479635,0.747368882,1.11354431,0.444612905,0,159.0850761,141.4211292,150.7055047,149.4647558,164.0246332,173.0655605,153.1225477,184.917652,0,2.197530864,2.666666667,2.266666667,2.286195286,1.685185185,1.333333333,2,1,0,0.041982015,0.001539808,-0.002835092,-0.03000414,-0.01154366,0.021532128,-0.006612255,0.006932205,0,538.0711511,3.27E-13,98.6463777,-408.0372896,-188.3249029,192.8088291,-179.3570504,215.2284604,0,1000.566282,-4.26E-14,183.4371517,-758.7627638,-350.1981987,358.536251,-333.522094,400.2265128,0,0.105404444,1.52E-15,0.019324148,-0.079931704,-0.036891556,0.037769926,-0.035134815,0.042161778,0,4.472996822,3.94E-15,0.820049417,-3.39202259,-1.565548888,1.602823861,-1.490998941,1.789198729,0,24.29738973,4.40E-14,4.45452145,-18.42552054,-8.504086404,8.706564652,-8.099129909,9.718955891,0,3.901234568,-0.790123457,1.695473251,-2.744855967,-2.197530864,2.041152263,-1.448559671,1.49382716,0,0.002332334,8.55E-05,-9.45E-05,-9.09E-04,-3.21E-04,0.001025339,-0.001102043,7.70E-04,0,29.89284173,1.82E-14,3.28821259,-12.36476635,-5.231247302,9.181372817,-29.89284173,23.91427338,0,55.58701566,-2.37E-15,6.114571723,-22.99281102,-9.727727741,17.07315481,-55.58701566,44.46961253,0,0.005855802,8.46E-17,6.44E-04,-0.002422173,-0.001024765,0.001798568,-0.005855802,0.004684642,0,0.248499823,2.19E-16,0.027334981,-0.102788563,-0.043487469,0.076324946,-0.248499823,0.198799859,0,1.349854985,2.44E-15,0.148484048,-0.558349107,-0.236224622,0.414598317,-1.349854985,1.079883988,0,0.216735254,-0.043895748,0.056515775,-0.083177454,-0.061042524,0.097197727,-0.241426612,0.165980796,0,0.036677806,-0.040518661,-0.389831097,-0.137483401,0.439619435,-0.472506291,0.330246396,0,6.07E-16,0.11,-0.413636364,-0.175,0.307142857,-1,0.8,0,-4.26E-17,0.11,-0.413636364,-0.175,0.307142857,-1,0.8,0,1.44E-14,0.11,-0.413636364,-0.175,0.307142857,-1,0.8,0,8.81E-16,0.11,-0.413636364,-0.175,0.307142857,-1,0.8,0,1.81E-15,0.11,-0.413636364,-0.175,0.307142857,-1,0.8,0,-0.202531646,0.260759494,-0.383774453,-0.28164557,0.448462929,-1.113924051,0.765822785,0,0.96731211,0.993093135,1.479049058,1.143847354,0.48951253,0.921450203,0,0,1.0625,0.8925,1.390909091,1.0625,0.546428571,1.9125,0,0,1.0625,0.8925,1.390909091,1.0625,0.546428571,1.9125,0,0,1.0625,0.8925,1.390909091,1.0625,0.546428571,1.9125,0,0,1.0625,0.8925,1.390909091,1.0625,0.546428571,1.9125,0,0,1.0625,0.8925,1.390909091,1.0625,0.546428571,1.9125,0,0,1.291139241,0.64556962,1.437859609,1.223892405,0.276672694,2.178797468,0,0,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,25.6517298,12.75919824,18.61519495,25.6267298,3.203341226,12.75920965,-0.05,3.33E-16,4.16E-17,-28.51055062,39.04919554,4.881149442,2.93185782,0,11.85,12.15008271,-0.208589204,0.091499259,5.84578125,7.659085743,8,18,15,12,2,3,0,0,0,6,10.93207,3.799577752,3.025396389,2.619181914,2.384946851,1.842719103,0.941428501,0.362339541,0.280919995,1.98899578,1.517066688,1.216938438,1.082250302,0.637206443,0.310513972,0.083923071,0.083923071,3.810779039,3.053343152,2.645815032,2.448321326,1.904489599,1.053336623,0.477714833,0.427232027,1.957388135,1.4383458,1.110593711,1.007167592,0.531896723,0.150156259,0.270913902,0.270913902,3.862194007,3.18743532,2.771820215,2.716126481,2.158952528,1.517793787,0.957008449,0.956724315,1.87294753,1.216149863,0.798620231,0.767072651,0.206597349,0.396843083,0.943918427,0.943918427,3.819136668,3.074565934,2.665925019,2.494510478,1.949078733,1.134811365,0.562249297,0.528462823,1.938086149,1.388772714,1.040211722,0.960278991,0.463824367,0.041902902,0.399277246,0.399277246,3.888755316,3.258431154,2.838821757,2.838078588,2.273637886,1.721464227,1.207644823,1.207644823,1.848797093,1.151850519,0.738564276,0.650190428,0.097067588,0.594311107,1.157463255,1.161375552,3.8165219,3.077733288,2.722592367,2.567249127,1.986153783,1.230214688,0.609872562,0.598673466,1.932706055,1.354128395,0.954599352,0.889742168,0.414770323,0.067369896,0.52173913,0.52173913,0,0,0,4,2,2,0,0,0,0,0,0,0.083333333,0.166666667,0,0,0,0.027777778,0.055555556,0.577350269,0,0,0,0.333333333,0,0,0,0.816496581,0.760079655,1.138071187,0.384900179,0.303561201,0.414672312,5.983127663,3.7876937,3.365043969,2.304530453,1.426746322,1.304737854,0.333333333,0,0.747890958,0.473461713,0.336504397,0.230453045,0.142674632,0.108728155,0.083333333,0,5.309401077,2.821367205,2.154700538,1.218233513,0.636894534,0.525783423,0.111111111,0,0.663675135,0.352670901,0.215470054,0.121823351,0.063689453,0.043815285,0.027777778,0,10.70913902,17.43918427,16.62745098,16.8,11.99277246,135.3693593,0.594952168,0.96884357,0.923747277,0.933333333,0.666265136,7.52051996,1.74264,33.722,30.70152702,40.30404889,61.40305404,7.675381755,30.70152702,0.094421893,0.011802737,-1.887985849,23.37145629,2.921432036,2.521212369,58,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,4,0,0,0,0,0,0,0,0,2,0,0,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.626388889,0,0,0,0,1.626388889,0,0,0,0,0,0,0,0,4.193333333,0,0,0,0,8.481481481,0,0,0,0,2.658518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.329259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0,0.406597222,0,0,0,0,0,0,0,0,2.096666667,0,0,0,0,2.12037037,0,0,0,0,1.329259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0,0.406597222,0,0,0,0,0,0,0,0,2.096666667,0,0,0,0,2.12037037,0,0,0,0,1.329259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.33333333,1.916666667,0.406597222,2.12037037,0.1775,1.329259259,4.879186667,0.337407407,0.12037037,1.34962963,0.337407407,0.12037037,1.34962963,4,0.5,0,0,0.47778,0.7,0.43333,0.43333,0.7,0.04444,0.04444,0,0,0.71429,0,0,0.25,0.25,0,10,1.25,4,0.5,6,0.75,2,0.25,0,0,4.09034,0.51129,8.39431,4.30397,0.538,1.7065,0.21331,3.78768,2.08118,0.26015,0.12632,0.01579,0.21232,0.02654,0.333333333,8,0,0,0,0,0,0,0.25,0.99107606,2.197159723,2.197159723,2.419381946,2.419381946,2.197159723,17.83936908,39.54887502,39.54887502,43.54887502,43.54887502,39.54887502,0.237672394,0.526906293,0.526906293,0.580197952,0.580197952,0.526906293,3.178848942,1.972765278,1.972765278,1.750543056,1.750543056,1.972765278,0.225638533,0.500227901,0.500227901,0.550821289,0.550821289,0.500227901,6.714395846,15.2580338,15.2580338,17.92470047,15.48199492,15.2580338,29.66949396,25.1248139,25.1248139,22.0050139,24.60484724,25.1248139,6.125,2.52,1.8,0,6,0,2.34,0.9982,0.2,3.265986324,2,0,3.301927249,5.656854249,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,3.896,10,10,10,12,4,0,0,0,0,62,2.48490665,3.020424886,3.409496184,3.803880847,4.298135385,3.446011397,0,0,0,0,5.373250891,3.460685484,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,5,0.666666667,2,0.888888889,0.25,0.302222222,0,0,0,0,0,0,0.25,0.088888889,0.035714286,0.151111111,0,0,0,0,0,0,0.525714286,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,0,115.7585009,4,3.610917913,4.343805422,5.129898715,5.888877958,6.670766321,7.438971592,8.217438538,8.989319566,9.765890765,76.05588679,2.833213344,0,4.043051268,0,5.451038454,0,6.940222469,0,8.463159303,8.712924435,106.0782503,5.893236129,15.53282921,1.941603651,0,0,0,62,7,2.866,36,1.231350208,2.153769403,3.054081916,3.803147509,4.921182279,6.121223541,6.552566751,0,0,0,96.27497539,127.3553707,126.9106336,62.84478792,58.47853179,74.11019208,6.657827183,0,0,0,331.391896,462.6330381,552.0594153,403.2552061,370.313278,702.3284771,203.6783102,0,0,0,9.024660361,15.52079594,21.97216747,26.66740925,33.81586865,43.56861655,44.02318382,0,0,0,2.402651941,3.488991624,4.463319945,3.785854084,3.711402594,6.816253644,2.913355737,0,0,0,172.3376467,320.4353436,454.0796648,616.0766503,852.0166314,937.2973437,1211.685258,0,0,0,3.381661893,5.092398481,7.113058049,6.66284114,6.618832576,12.24244708,6.552566751,0,0,0,0.494081992,0.723624636,0.936202266,0.815232167,0.811309312,1.46909365,0.670982835,0,0,0,264.2921107,109.5841137,10.46647079,108.9695773,-45.18233448,-5.519303014,155.3225334,154.7664482,15.98577381,0.708061178,0.293585217,0.028040571,0.291938822,-0.12104734,-0.014786685,98.65011935,40.90355124,3.906732555,40.67416836,-16.86483444,-2.06014436,0.149598018,0.141303915,3.8620868,1.804189934,373.261688,0,1,0,604.8962865,24.59463938,8.457207237,702.6158965,26.50690281,8.890086578,980.0983618,31.30652267,9.933216191,1.833740952,1.833740952,413.5027283,328.6159416,91.62968927,1.258316095,4.512759256,3.586347877,3.705446905,4.288153178,6.664765497,0.554227478,3.1157585,2.872001084,3.665941125,7.416912782,0.135536587,4.808251928,4.302966477,5.908330452,0.88460686,1.326164933,1.452645365,1.83923252,2.73E-05,7.61E-31,4.94E-78,6.44E-147,1.67E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,0.261593628,2.871879065,0.283316288,4.151625241,0.011785942,0.286280831,0.429999584,0.38752184,0.006235093,0.051674526,0.121938123,0.012954489,1.93E-07,5.36E-33,3.48E-80,4.54E-149,1.17E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844189527,2.871887516,0.92997715,4.597598516,0.036964138,0.750601875,1.219391513,1.322219663,0.064937302,0.136838387,0.393563087,0.134990864,2.01E-06,5.58E-32,3.62E-79,4.73E-148,1.22E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,2.941028572,2.871987793,3.443362505,7.138993932,0.12793167,4.369143814,4.065454723,5.502350528,0.788172046,1.18623701,1.371180155,1.638723492,2.44E-05,6.78E-31,4.40E-78,5.74E-147,1.48E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,1.244123348,2.871898203,1.386896165,4.969228532,0.054272513,1.20554411,1.761629698,2.020933597,0.141040847,0.247257912,0.580025334,0.29321666,4.36E-06,1.21E-31,7.87E-79,1.03E-147,2.65E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,3.762704777,2.872056906,4.507644971,8.534507365,0.163727087,6.618324159,5.182832816,7.488700245,1.290100527,1.914543001,1.754274673,2.682345742,3.99E-05,1.11E-30,7.20E-78,9.39E-147,2.43E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,1.69634622,2.622347992,1.731884555,5.706314981,0.073846163,1.756600806,2.368033919,2.779708344,0.24081158,0.395814483,0.790869376,0.500662857,7.44E-06,2.07E-31,1.34E-78,1.75E-147,4.53E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.913938494,1.503401335,0.185827252,0.744179033,0.227678827,0.566059351,0.437948295,0.222237974,6.60316708,8.580138312,16.55612683,0.61626855,1.22624562,3.065824818,0.831967049,0.031761634,0.780196736,0.211720504,0.220350474,0.134116491,0.006492399,3.929553502,2.674465469,6.685032267,0.670295105,0.360959364,3.69988704,1.062333065,0.084619795,0.763360688,0.219180556,0.32091327,0.218672541,0.046083283,4.8468399,4.333490428,9.512929475,0.645041032,0.585669094,4.856591742,1.482567454,0.181046653,0.744852518,0.227380468,0.552924691,0.425894436,0.210950454,6.52020585,8.347908412,16.17169087,0.617278776,1.189769581,4.020698892,1.17888672,0.111363873,0.757058395,0.221972874,0.378975327,0.269288291,0.079815662,5.310949484,5.318994517,11.15780303,0.635587592,0.728079281,5.098376038,1.570406691,0.201202512,0.742123288,0.228589529,0.609348171,0.477855969,0.260535109,6.869985241,9.348299677,17.82921762,0.613184933,1.347739249,4.854883392,1.482877352,0.180720336,0.744787525,0.227488173,0.55253579,0.426072507,0.210190707,6.518481079,8.344558878,16.16408119,0.617181288,1.188799004 +UMLKV0130,L,N-PROPYLBENZENE,CCCC1=CC=CC=C1,C9H12,Aromatic (single ring),Aromatics,103-65-1,2.928554835,PubChem,,0.7966,0,1.0335,1.06812225,43.4114,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1701.970378,1446.800888,977.687261,648.773499,289.634857,56.556864,3.048192,4184.657049,5188.491512,6800.056683,6462.249813,4847.489258,3531.910628,2058.624615,707.6164209,93.25123329,148.486212,153.276228,258.467752,318.08816,274.113716,210.805932,166.456036,82.21824,20.155392,30.43545486,38.46263172,53.49649503,54.1472998,42.43996687,31.74308232,20.37324227,8.011080479,1.333838715,3360.161029,2978.619777,5408.105323,7125.020574,6285.269863,4832.6429,4030.154205,2091.831407,554.7529561,43.27777778,52.41666667,76.33333333,82.83333333,67.66666667,53.5,37.5,16,3,62.40808843,68.74581643,47.27695494,32.15113084,25.06890413,21.6257833,12.06811904,4.713072,1.016064,199.2693833,247.0710244,188.8904634,143.6055514,124.2945964,117.7303543,85.77602562,58.96803508,31.08374443,7.070772,7.298868,7.179659778,7.068625778,7.028556821,7.0268644,6.935668167,6.85152,6.718464,1.449307374,1.831553891,1.486013751,1.203273329,1.088204279,1.058102744,0.848885095,0.66759004,0.444612905,160.0076681,141.839037,150.2251479,158.3337905,161.1607657,161.0880967,167.9230919,174.3192839,184.917652,2.060846561,2.496031746,2.12037037,1.840740741,1.735042735,1.783333333,1.5625,1.333333333,1,0.052276906,-0.001172414,-0.019610677,-0.009912737,-0.001743149,-0.001491751,2.81E-06,0.003530592,0.004258875,622.6251891,4.05E-13,-116.1245392,-54.35616731,-84.00498584,-163.0685019,-19.76587902,59.29763706,66.70984169,1157.798126,-2.84E-14,-215.9385394,-101.0776142,-156.2108583,-303.2328426,-36.75549607,110.2664882,124.0497992,0.121968,1.88E-15,-0.022748,-0.010648,-0.016456,-0.031944,-0.003872,0.011616,0.013068,5.175896322,1.02E-14,-0.965345743,-0.451863965,-0.698335218,-1.355591894,-0.164314169,0.492942507,0.55456032,28.11555097,4.40E-14,-5.243773395,-2.454532227,-3.793367988,-7.363596682,-0.892557174,2.677671521,3.012380461,4.145502646,0.088624339,-0.143613001,-0.534013605,-0.489795918,-1.168178382,-0.364701436,0.139077853,0.399848828,0.002489376,-5.58E-05,-5.45E-04,-2.20E-04,-4.47E-05,-4.97E-05,1.17E-07,2.94E-04,0.001419625,29.64881853,1.93E-14,-3.225681646,-1.207914829,-2.153973996,-5.435616731,-0.823578293,4.941469755,22.2366139,55.13324411,-1.35E-15,-5.998292762,-2.246169204,-4.005406623,-10.10776142,-1.531479003,9.188874018,41.34993308,0.005808,8.94E-17,-6.32E-04,-2.37E-04,-4.22E-04,-0.0010648,-1.61E-04,9.68E-04,0.004356,0.246471253,4.84E-16,-0.02681516,-0.010041421,-0.017906031,-0.045186396,-0.006846424,0.041078542,0.18485344,1.33883576,2.09E-15,-0.145660372,-0.054545161,-0.097265846,-0.245453223,-0.037189882,0.223139293,1.00412682,0.197404888,0.004220207,-0.00398925,-0.011866969,-0.01255887,-0.038939279,-0.015195893,0.011589821,0.133282943,-0.022427003,-0.218826293,-0.088489248,-0.017954752,-0.019974893,4.70E-05,0.118188631,0.570273371,6.50E-16,-0.108796296,-0.040740741,-0.072649573,-0.183333333,-0.027777778,0.166666667,0.75,-2.45E-17,-0.108796296,-0.040740741,-0.072649573,-0.183333333,-0.027777778,0.166666667,0.75,1.54E-14,-0.108796296,-0.040740741,-0.072649573,-0.183333333,-0.027777778,0.166666667,0.75,1.96E-15,-0.108796296,-0.040740741,-0.072649573,-0.183333333,-0.027777778,0.166666667,0.75,1.56E-15,-0.108796296,-0.040740741,-0.072649573,-0.183333333,-0.027777778,0.166666667,0.75,0.02137843,-0.020208466,-0.060114869,-0.063619852,-0.197255903,-0.076978302,0.058710913,0.675175495,1.08103745,1.135884545,0.984899871,0.967972223,1.041064875,0.95201655,0.782663158,0.287552565,1.111111111,1.134259259,0.99382716,0.997150997,1.101851852,0.891203704,0.648148148,0,1.111111111,1.134259259,0.99382716,0.997150997,1.101851852,0.891203704,0.648148148,0,1.111111111,1.134259259,0.99382716,0.997150997,1.101851852,0.891203704,0.648148148,0,1.111111111,1.134259259,0.99382716,0.997150997,1.101851852,0.891203704,0.648148148,0,1.111111111,1.134259259,0.99382716,0.997150997,1.101851852,0.891203704,0.648148148,0,1.091257179,0.973463093,0.978302489,0.96043395,1.206126356,1.030232929,0.804084237,0,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,42.5255533,20.93370521,33.67217425,42.48028581,4.720031757,20.93370521,-0.135802469,0.446314879,0.049590542,-0.726057512,36.50784149,4.056426832,3.237774366,0,11.85,12.15009716,-0.210044223,0.090072698,5.287292424,8.444005922,9,21,18,15,3,3,0,0,0,6,13.118484,3.782771282,3.217181512,2.666935933,2.619181914,2.057455151,1.358834672,0.941428501,0.749263518,1.986993095,1.704083039,1.231816315,1.082250302,0.859123734,0.6145015,0.310513972,0.232410074,3.795009657,3.24984449,2.700116221,2.645815032,2.119778364,1.464765672,1.053336623,0.876009767,1.953168085,1.634195773,1.142552134,1.007167592,0.756638472,0.468245882,0.150156259,0.064507002,3.850861647,3.395068557,2.855919381,2.771820215,2.380138286,1.89267219,1.517793787,1.389965584,1.862480449,1.424178606,0.888893523,0.798620231,0.429056668,0.029582283,0.396843083,0.517527975,3.804124236,3.274026461,2.725091602,2.665925019,2.165054536,1.540896411,1.134811365,0.967572151,1.932500126,1.58918854,1.086148251,0.960278991,0.689411384,0.36961218,0.041902902,0.049437603,3.879525295,3.466046858,2.937335231,2.838078588,2.497666914,2.078051399,1.721464227,1.609830081,1.836357816,1.358132532,0.814930271,0.738564276,0.316540888,0.209646882,0.594311107,0.732373528,3.840167169,3.247866331,2.760003471,2.756006987,2.202509977,1.579410962,1.254613319,1.084563756,1.913739634,1.574874618,1.035303012,0.85935819,0.618019006,0.294932158,0.088737885,0.180833734,0,0,0,5,1,1,2,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.65464793,0.637136847,0.219416097,0.297409508,0.242502443,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,5.800964908,3.471343774,2.23559856,1.381499797,0.933352372,0.533909221,0.197141522,0.087630571,0.644551656,0.385704864,0.223559856,0.125590891,0.077779364,0.044492435,0.03285692,0.021907643,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,2.6391,40.437,37.50463196,54.26687178,75.00926391,8.334362657,37.50463196,0.136437528,0.015159725,-1.792699594,35.3218919,3.924654656,3.208052645,81,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,3,0,0,5,0,0,0,0,0,0,0,0,1,0,2,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.01601852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.05600907,0,0.899893707,0,0,2.05600907,0,0,0,0,0,0,0,0,2.201388889,0,2.449259259,0,0,10.57157407,0,0,0,0,1.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0,0.25461593,0,0,0.396597222,0,0,0,0,0,0,0,0,2.201388889,0,1.209166667,0,0,2.054722222,0,0,0,0,1.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.170138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.427953515,0,0.359305556,0,0,0.427953515,0,0,0,0,0,0,0,0,2.201388889,0,1.240092593,0,0,2.170138889,0,0,0,0,1.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.66666667,1.851851852,0.427953515,2.201388889,0.144097222,1.209166667,5.5813325,0.290833333,0.201388889,1.545925926,0.290833333,0.201388889,1.545925926,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.11111,0.11111,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.09633,0.56626,9.45555,4.35922,0.48436,2.44966,0.27218,4.43185,1.98218,0.22024,-0.01785,-0.00198,0.06815,0.00757,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.350852404,3.100916686,3.558518613,3.784941827,3.784941827,20.68979086,49.36790048,65.1192504,74.72889087,79.48377838,79.48377838,0.224307135,0.535219151,0.705986473,0.810168818,0.861718647,0.861718647,3.407089287,2.041465019,1.291400737,0.83379881,0.607375595,0.607375595,0.214882485,0.512730999,0.676323238,0.776128183,0.825512057,0.825512057,6.75154531,16.98424291,20.28133333,23.2313996,23.45959458,23.45959458,33.82580122,25.97128157,21.0758509,17.00634036,16.43066217,16.43066217,7.111111111,3.92,2.380165289,3,6,3,2.45,1.1391,0,2.085481947,0.333333333,0,9.563073858,4.445544946,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,4.418,10,11,12,12,6,4,2,0,0,75,2.564949357,2.970414466,3.392829132,3.820455812,4.218588165,3.49839971,3.270044111,2.784239339,0,0,5.534870605,3.365,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.222222222,3,0.333333333,0,3,6,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.04,0,0,0,0,0.111111111,0.044444444,0.0234375,0.030222222,0.030092593,0.04,0,0,0,0,0.27930787,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,0,133.0544855,4.169925001,3.663561646,4.394449155,5.153291594,5.905361848,6.673297968,7.430707083,8.200562797,8.959440144,9.729669736,78.11034197,2.944438979,0,4.077537444,0,5.433722004,0,6.886531643,0,8.379997952,8.639410824,120.0939004,5.718757161,17.70058553,1.966731726,0,0,0,94,8,3.507,38,1.234633511,2.166449137,2.958666532,3.782312058,4.72259859,5.575264779,6.787610533,7.865256659,0,0,94.43903682,111.1583113,102.4154583,107.3888626,114.0098427,74.3429148,32.63329359,7.991604142,0,0,327.3861275,432.3747292,447.5452097,507.2652264,590.8444671,508.5544907,405.1002799,244.4816279,0,0,9.042027763,15.59960057,20.97249264,26.67338378,33.26775782,38.77791975,46.52858368,52.84244372,0,0,2.382529912,3.355214785,3.704020774,4.346417111,5.212510633,4.948853681,4.57011008,3.496994611,0,0,173.2140676,322.309064,464.1200062,603.0726964,754.7526436,927.7201056,1181.368676,1454.424794,0,0,3.173893953,4.72326828,5.588418796,6.801800452,8.672114792,9.00954508,9.108103832,7.865256659,0,0,0.490292779,0.699191032,0.781621332,0.922869701,1.111688981,1.073116906,1.014351197,0.805402282,0,0,268.8050085,132.8104995,11.29096632,82.11242896,-40.56990144,-4.86674546,186.6925796,173.3804009,16.15771178,0.766006416,0.378466515,0.032175564,0.233993584,-0.115610959,-0.013868634,94.32836477,46.60552014,3.962196969,28.81468316,-14.23668585,-1.707825846,0.125544653,0.131518276,3.057812665,1.166372427,350.9174375,0,1,0,664.8026547,25.78376727,8.727655225,782.1086491,27.96620548,9.213451688,1090.582516,33.02396881,10.29325765,2.110422115,2.110422115,623.668647,553.177662,111.3475087,1.127429197,5.601101045,4.968029089,4.201869872,4.443439901,7.963231373,0.792132121,3.755217936,3.769874126,3.77738705,11.89504989,3.796372138,4.371070036,2.646083883,7.427906738,4.514606055,2.005039305,3.988160472,2.07491926,1.732791107,1.271591476,1.718141754,4.99E-13,2.93E-47,3.44E-103,8.03E-181,3.70E-280,0,0,0,0,0,0,0,0,0,0,0.315259028,3.769728571,0.299181019,4.127939628,0.961062659,1.167259603,0.280257261,1.530188432,0.510844119,0.158513821,1.112247709,0.32148526,0.082699695,0.068488127,0.012101013,3.52E-15,2.06E-49,2.42E-105,5.65E-183,2.61E-282,0,0,0,0,0,0,0,0,0,0,1.017427978,3.769738649,0.976899592,4.812217599,1.244061728,1.574726564,0.759790846,2.47879041,0.928602371,0.477113291,1.683262596,0.602325408,0.308293652,0.246277366,0.126101884,3.67E-14,2.15E-48,2.52E-104,5.89E-182,2.72E-281,0,0,0,0,0,0,0,0,0,0,3.544626116,3.76985827,3.553042159,11.10075424,3.518170663,4.087731858,2.500053209,6.976554339,4.12817055,1.871366158,3.80643173,1.940309373,1.592426015,1.173956564,1.53083337,4.45E-13,2.61E-47,3.06E-103,7.15E-181,3.30E-280,0,0,0,0,0,0,0,0,0,0,1.49944495,3.769751397,1.451710045,5.549524496,1.526145433,1.927630529,1.089979825,3.205764363,1.333998624,0.713136992,2.080003149,0.817997969,0.4961818,0.3884523,0.273910142,7.96E-14,4.66E-48,5.48E-104,1.28E-181,5.91E-281,0,0,0,0,0,0,0,0,0,0,4.534944655,3.76994072,4.620992231,15.19794117,4.945221789,5.519156461,3.188128231,9.20158846,6.1058702,2.523394821,4.66745514,2.604277482,2.297176196,1.660319128,2.505748275,7.28E-13,4.27E-47,5.01E-103,1.17E-180,5.40E-280,0,0,0,0,0,0,0,0,0,0,2.027450266,3.133978895,1.982105109,6.067799633,1.731562731,2.304326115,1.522146935,3.962951826,1.752456214,0.93657141,2.666803348,1.16671977,0.772666025,0.596597235,0.501010135,1.46E-13,8.53E-48,1.00E-103,2.34E-181,1.08E-280,0,0,0,0,0,0,0,0,0,0,5.82067991,1.379224787,0.428798298,0.762997316,0.180794139,0.550262161,0.412913493,0.307145907,7.628702995,11.11533289,22.18643977,0.644495974,1.27032156,4.63341997,0.756982164,0.17066108,0.833189588,0.136121841,0.348869054,0.124390932,0.048613373,5.561063214,4.427348126,10.58699079,0.749784382,0.52187336,5.048693385,0.974700008,0.26112591,0.803353947,0.155095396,0.414095341,0.206226152,0.113914545,6.284519304,6.493825568,14.06333542,0.70503092,0.734236038,5.784881323,1.360471187,0.421034908,0.764549977,0.17980459,0.543518918,0.401761232,0.296136106,7.566387418,10.8786072,21.75860855,0.646824965,1.241416256,5.255605949,1.083147384,0.306123886,0.790925968,0.163004876,0.448688989,0.254666672,0.156581472,6.644877219,7.633039638,16.02055642,0.686388953,0.859937133,5.935375438,1.439306783,0.453664712,0.758190138,0.183858329,0.572147888,0.449670752,0.343754749,7.828346933,11.88845922,23.59238491,0.637285206,1.365573389,5.796311733,1.362526877,0.420032466,0.76479883,0.179779662,0.545667976,0.402972355,0.294802094,7.578871076,10.90457516,21.80070746,0.647198245,1.243442425 +UMLKV0131,L,ISOPROPYLBENZENE,CC(C)C1=CC=CC=C1,C9H12,Aromatic (single ring),Aromatics,98-82-8,2.919316261,PubChem,,0.7376,0,1.7807,3.17089249,44.0035,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1823.036387,1623.322017,1039.238765,522.71285,110.065536,6.096384,0,4184.657049,5188.491512,7025.184097,7105.641586,5452.256084,3409.632809,1321.981609,186.5024666,0,148.486212,153.276228,258.491468,320.107716,316.42034,250.693832,144.281088,40.310784,0,30.43545486,38.46263172,54.50291932,58.49838111,48.45230132,32.73540406,14.68832224,2.667677429,0,3360.161029,2978.619777,5413.572236,6971.511966,7235.800254,5968.477003,3628.909858,1109.505912,0,44.55555556,53.55555556,77.66666667,90.66666667,82,59.33333333,29,6,0,62.40808843,68.74581643,50.63989964,36.0738226,23.09419478,14.51980139,5.241216,1.016064,0,199.2693833,247.0710244,195.1440027,157.9031463,121.1612463,94.71202247,62.95150517,31.08374443,0,7.070772,7.298868,7.180318556,7.1135048,7.031563111,6.963717556,6.870528,6.718464,0,1.449307374,1.831553891,1.513969981,1.299964025,1.076717807,0.909316779,0.699443916,0.444612905,0,160.0076681,141.839037,150.3770065,154.9224881,160.7955612,165.7910279,172.8052313,184.917652,0,2.121693122,2.55026455,2.157407407,2.014814815,1.822222222,1.648148148,1.380952381,1,0,0.051174327,-0.004191973,-0.009797429,-0.010107486,-0.015183945,0.001362904,0.003606133,0.008724633,0,622.6251891,3.91E-13,4.941469755,-192.7173204,-210.0124646,-98.8293951,51.88543243,133.4196834,0,1157.798126,-2.84E-14,9.188874018,-358.3660867,-390.5271458,-183.7774804,96.48317719,248.0995985,0,0.121968,1.88E-15,9.68E-04,-0.037752,-0.04114,-0.01936,0.010164,0.026136,0,5.175896322,1.02E-14,0.041078542,-1.602063147,-1.745838045,-0.821570845,0.431324694,1.10912064,0,28.11555097,4.40E-14,0.223139293,-8.702432443,-9.48341997,-4.462785868,2.342962581,6.024760922,0,4.507936508,-0.761904762,0.859410431,-0.739229025,-1.580498866,-0.902494331,-1.44E-15,0.870748299,0,0.002436873,-2.00E-04,-2.72E-04,-2.25E-04,-3.37E-04,3.79E-05,1.72E-04,0.001454105,0,29.64881853,1.86E-14,0.137263049,-4.282607121,-4.666943658,-2.745260975,2.470734878,22.2366139,0,55.13324411,-1.35E-15,0.2552465,-7.963690816,-8.678381017,-5.10493001,4.594437009,41.34993308,0,0.005808,8.94E-17,2.69E-05,-8.39E-04,-9.14E-04,-5.38E-04,4.84E-04,0.004356,0,0.246471253,4.84E-16,0.001141071,-0.035601403,-0.038796401,-0.022821412,0.020539271,0.18485344,0,1.33883576,2.09E-15,0.006198314,-0.193387388,-0.210742666,-0.123966274,0.111569647,1.00412682,0,0.214663643,-0.036281179,0.023872512,-0.016427312,-0.035122197,-0.025069287,-6.87E-17,0.145124717,0,-0.081915544,-0.111680355,-0.092171743,-0.138464762,0.015535664,0.070467622,0.596709655,0,6.28E-16,0.00462963,-0.144444444,-0.157407407,-0.092592593,0.083333333,0.75,0,-2.45E-17,0.00462963,-0.144444444,-0.157407407,-0.092592593,0.083333333,0.75,0,1.54E-14,0.00462963,-0.144444444,-0.157407407,-0.092592593,0.083333333,0.75,0,1.96E-15,0.00462963,-0.144444444,-0.157407407,-0.092592593,0.083333333,0.75,0,1.56E-15,0.00462963,-0.144444444,-0.157407407,-0.092592593,0.083333333,0.75,0,-0.169014085,0.11120892,-0.076525822,-0.163615023,-0.116784038,-3.20E-16,0.676056338,0,1.134820555,0.990588833,1.065844153,1.063182194,0.978397925,0.846045967,0.28534903,0,1.111111111,1.026234568,1.12345679,1.080246914,0.972222222,0.740740741,0,0,1.111111111,1.026234568,1.12345679,1.080246914,0.972222222,0.740740741,0,0,1.111111111,1.026234568,1.12345679,1.080246914,0.972222222,0.740740741,0,0,1.111111111,1.026234568,1.12345679,1.080246914,0.972222222,0.740740741,0,0,1.111111111,1.026234568,1.12345679,1.080246914,0.972222222,0.740740741,0,0,1.302816901,0.821596244,1.024256651,1.139280125,1.054381847,0.845070423,0,0,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,40.45136923,19.91583039,30.72690265,40.39766553,4.488629503,19.9158304,-0.161111111,0.370015917,0.04111288,-0.894788329,35.86776469,3.985307188,3.221855075,0,11.85,12.15009716,-0.20991693,0.090203616,6.07534375,8.758381125,9,21,18,15,3,3,0,0,0,6,13.118484,3.794979351,3.215828339,2.619181914,2.470833146,2.333552793,1.260641077,0.941428501,0.729217022,1.994710453,1.673106271,1.249629723,1.082250302,0.969383414,0.464978854,0.310513972,0.230270252,3.806876826,3.245226722,2.645815032,2.501835524,2.405454588,1.356365801,1.053336623,0.860003957,1.961466708,1.605357719,1.134540686,1.007167592,0.891855888,0.318671338,0.150156259,0.061869484,3.861289558,3.37839396,2.771820215,2.704236987,2.6430235,1.756172129,1.517793787,1.383146172,1.872633866,1.405550007,0.798620231,0.76031856,0.672110206,0.169275876,0.396843083,0.52344722,3.815743304,3.267124209,2.665925019,2.524945597,2.457539916,1.426031146,1.134811365,0.953928232,1.941179501,1.562024883,1.058262671,0.960278991,0.84316282,0.220705965,0.041902902,0.052494885,3.889291755,3.444858672,2.838982085,2.838078588,2.714479928,1.934748586,1.721464227,1.604929216,1.847140569,1.34415258,0.738564276,0.631337262,0.606526415,0.341130169,0.594311107,0.740644743,3.827769307,3.253330133,2.736627811,2.560684849,2.546278942,1.438457997,1.240457652,1.057756794,1.941032174,1.538234426,0.958043648,0.876967229,0.792725102,0.168568392,0.076352355,0.172031066,0,0,0,5,1,2,0,1,0,0,0,0,0.102062073,0.058925565,0,0,0,0.032075015,0.018518519,0.5,0,0.166666667,0,0.384900179,0,0.096225045,0,1.040440115,1.054737854,1.040440115,0.636894534,0.510897357,0.424596356,6.690234444,4.304530453,3.642107032,2.592638956,1.800833459,1.250443623,0.451184464,0.23570226,0.743359383,0.478281161,0.331100639,0.216053246,0.150069455,0.104203635,0.075197411,0.058925565,5.964101615,3.354059275,2.565384141,1.466239158,0.837939098,0.478822342,0.165337097,0.074074074,0.662677957,0.372673253,0.23321674,0.122186597,0.069828258,0.039901862,0.027556183,0.018518519,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,2.81,40.531,36.08872406,51.75280153,72.17744812,8.019716458,36.08872406,0.19041988,0.021157764,-1.492671377,35.89962077,3.988846752,3.222654059,69,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,3,0,0,5,0,0,0,0,0,0,0,0,2,0,0,0,0,5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.93407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.036805556,0,0.93125,0,0,2.036805556,0,0,0,0,0,0,0,0,4.407407407,0,0,0,0,10.51972222,0.658518519,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.390972222,0,0.285972222,0,0,0.390972222,0,0,0,0,0,0,0,0,2.203703704,0,0,0,0,2.0475,0.658518519,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.157407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.426111111,0,0.359305556,0,0,0.426111111,0,0,0,0,0,0,0,0,2.203703704,0,0,0,0,2.157407407,0.658518519,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17,1.888888889,0.426111111,2.203703704,0.131944444,0.658518519,5.612137685,0.674814815,0.203703704,1.854259259,0.674814815,0.203703704,1.854259259,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.22222,0.22222,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.44402,0.60489,9.97476,4.53073,0.50341,2.34821,0.26091,4.30452,1.95631,0.21737,0.10948,0.01216,0.19548,0.02172,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.255614308,2.684017281,3.141619208,3.368042423,3.141619208,20.68979086,47.36790048,56.3643629,65.97400337,70.72889087,65.97400337,0.224307135,0.513536271,0.611070882,0.715253226,0.766803056,0.715253226,3.407089287,2.136703114,1.708300142,1.250698215,1.024275,1.250698215,0.214882485,0.491959162,0.585395689,0.685200633,0.734584508,0.685200633,6.75154531,15.84138577,18.81429787,21.76436413,21.99255912,19.27548055,33.82580122,27.3383201,23.25490662,19.18539608,18.60971788,22.06378703,7.111111111,3.239669421,2,3,6,3,2.45,1.1391,0.5,2.68246152,2.828427125,0,6.083643419,4.745102806,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.151,0.144,0.514,0.649,4.19,11,12,12,12,6,4,0,0,0,75,2.564949357,3.020424886,3.457892725,3.852803646,4.251170232,3.595598464,3.446011397,0,0,0,5.534870605,3.365,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,3,0.333333333,0,3,5,0.666666667,1.5,0.888888889,0.4375,0.191111111,0.125,0,0,0,0,0,0.166666667,0.080808081,0.048611111,0.038222222,0.0625,0,0,0,0,0,0.396808081,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,0,133.0544855,4.169925001,3.713572067,4.465908119,5.252273428,6.02827852,6.816735881,7.598399329,8.386400901,9.169830829,9.957265258,79.38866433,2.944438979,0,4.143134726,0,5.556828062,0,7.055312843,0,8.590257762,8.836955157,120.0939004,5.718757161,17.52861439,1.947623821,0,0,0,88,9,3.442,40,1.234633511,2.165595806,2.983279347,3.728956613,4.441743034,5.453257175,6.221758101,0,0,0,94.43903682,119.629923,113.1596629,96.02638748,70.40193768,28.28779332,6.321704423,0,0,0,327.3861275,449.1250406,489.136045,478.3676264,447.7327491,341.0739967,193.3955387,0,0,0,9.042027763,15.60196379,21.2715503,26.27358154,31.03335007,37.4561784,41.80065782,0,0,0,2.382529912,3.434617978,3.995250006,4.171856971,4.235013524,3.796521277,2.766273943,0,0,0,173.2140676,322.0102326,458.4498113,595.8781709,728.4394239,943.1939187,1150.5129,0,0,0,3.230802684,4.832721108,6.137552208,6.955271635,7.585330914,7.504189084,6.221758101,0,0,0,0.490292779,0.71399969,0.840509935,0.888245297,0.913729154,0.840621765,0.63710803,0,0,0,256.9475906,124.6147701,10.47614321,79.50219089,-38.55707391,-4.713928236,177.4453998,163.1718441,15.19007145,0.763702653,0.370381486,0.031137316,0.236297347,-0.114599789,-0.014010793,86.44996074,41.92661219,3.524696096,26.74849476,-12.97251909,-1.586000125,0.127917102,0.12730695,1.593170819,1.72156171,336.4497815,0,1,0,664.8026547,25.78376727,8.727655225,782.1086491,27.96620548,9.213451688,1129.49505,33.6079611,10.41425268,1.805695877,1.805695877,502.7228234,402.7110761,147.8383833,1.248346155,3.400489185,2.723995401,4.030673812,3.785524729,6.66215613,0.759902948,3.755219095,3.952947272,4.388315065,10.82161521,4.574289234,4.99852406,5.171874534,5.320057409,3.837949899,5.215262055,2.610180677,1.506570157,3.87E-05,9.57E-31,4.65E-78,4.44E-147,8.32E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0.315259036,3.77101797,0.334370755,5.054835437,0.974736133,1.353166965,1.020806147,0.91731173,0.897453671,0.342837866,0.15213095,0.010610897,2.73E-07,6.74E-33,3.27E-80,3.12E-149,5.86E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,1.017428063,3.783175183,1.101092723,5.721823913,1.320026181,2.031311455,1.64849649,1.650915924,1.317329081,1.169217139,0.535195005,0.110573726,2.84E-06,7.02E-32,3.41E-79,3.26E-148,6.11E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,3.544627149,3.932973147,4.118635497,10.28810849,4.216150725,4.75202677,4.840050854,4.992121078,3.594135604,4.857476968,2.417716891,1.342326887,3.45E-05,8.52E-31,4.14E-78,3.95E-147,7.41E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,1.499445135,3.798937343,1.645468523,6.331160001,1.672694369,2.516418488,2.144599286,2.203530862,1.659107826,1.786438621,0.833393919,0.240180908,6.17E-06,1.53E-31,7.41E-79,7.07E-148,1.33E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.534946345,4.036935697,5.411228759,13.00185896,6.056749742,5.937683334,6.488688788,6.600570706,4.813123721,6.607535578,3.370456835,2.197190985,5.65E-05,1.40E-30,6.78E-78,6.47E-147,1.21E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,2.052948038,3.007962276,2.169594293,6.694594516,2.251300059,3.210094238,2.867500263,2.767303992,2.194855449,2.576022586,1.219167492,0.422256688,1.09E-05,2.68E-31,1.30E-78,1.24E-147,2.33E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.201391824,1.817859552,0.483541124,0.646090403,0.279550601,0.564426063,0.573958078,0.327010915,6.5027925,10.54809584,20.74395314,0.469135604,1.465395056,3.280607491,1.031995626,0.200532498,0.726902041,0.228664883,0.344300516,0.184909211,0.055843114,4.513135614,4.250389655,9.442442595,0.590353062,0.585052841,3.602728895,1.307015856,0.299561155,0.691594804,0.250900193,0.415153313,0.296699129,0.125027984,5.209305907,6.179592601,12.7994792,0.537392205,0.836880426,4.173633807,1.794181195,0.475012209,0.647795396,0.278477311,0.55699891,0.559110908,0.315534061,6.442827211,10.32304028,20.32288018,0.471693094,1.431643879,3.76320271,1.443984599,0.348885291,0.677313452,0.25989304,0.452921992,0.362168862,0.169802397,5.556072599,7.250717812,14.70263544,0.515970177,0.984893251,4.290324481,1.893716656,0.510865551,0.640834097,0.282859305,0.588552919,0.622827052,0.365164119,6.694906688,11.28387251,22.12938756,0.461251145,1.57654409,4.178567342,1.795652595,0.474635957,0.647954833,0.278445142,0.558315455,0.560036332,0.315085661,6.448855894,10.33883489,20.34900554,0.471932249,1.433437448 +UMLKV0132,L,O-ETHYLTOLUENE,CCC1=CC=CC=C1C,C9H12,Aromatic (single ring),Aromatics,611-14-3,2.920411968,PubChem,,0.8354,0,1.9611,3.84591321,44.3682,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1811.945363,1730.24881,1091.645693,418.834249,68.749632,3.048192,0,4184.657049,5188.491512,6941.531225,7153.864894,5777.269211,3454.660734,1080.621354,93.25123329,0,148.486212,153.276228,258.0923,299.576872,298.260788,291.380068,162.839808,20.155392,0,30.43545486,38.46263172,53.83398791,57.50203527,50.46311963,35.06558861,13.34643534,1.333838715,0,3360.161029,2978.619777,5445.36734,6454.021027,6522.071776,7040.720899,4310.843231,554.7529561,0,43.80555556,53.27777778,76.66666667,85.5,81.83333333,65.5,28,3,0,62.40808843,68.74581643,50.33181564,41.19640024,25.99156412,9.972244024,2.864568,1.016064,0,199.2693833,247.0710244,192.8203118,170.3301165,137.5540288,82.253827,45.02588975,31.08374443,0,7.070772,7.298868,7.169230556,7.132782667,7.101447333,6.937620667,6.784992,6.718464,0,1.449307374,1.831553891,1.495388553,1.369096078,1.201502848,0.834894967,0.556101472,0.444612905,0,160.0076681,141.839037,151.2602039,153.6671673,155.2874232,167.6362119,179.618468,184.917652,0,2.085978836,2.537037037,2.12962963,2.035714286,1.948412698,1.55952381,1.166666667,1,0,0.046050618,-7.60E-04,-0.007650617,-0.007931562,-0.024413667,-0.001953469,0.015368504,0.004315177,0,622.6251891,4.05E-13,56.82690218,-86.47572071,-536.1494684,-138.3611531,326.1370038,66.70984169,0,1157.798126,-5.68E-14,105.6720512,-160.8052953,-996.9928309,-257.2884725,606.4656852,124.0497992,0,0.121968,1.87E-15,0.011132,-0.01694,-0.105028,-0.027104,0.063888,0.013068,0,5.175896322,1.00E-14,0.472403236,-0.718874489,-4.457021833,-1.150199183,2.711183788,0.55456032,0,28.11555097,4.49E-14,2.566101874,-3.904937635,-24.21061333,-6.247900215,14.72719336,3.012380461,0,4.216931217,-0.498677249,0.595049131,-0.084656085,-2.835978836,-1.548941799,1.847316704,0.417422525,0,0.002192887,-3.62E-05,-2.13E-04,-1.89E-04,-5.81E-04,-4.65E-05,6.40E-04,0.001438392,0,29.64881853,1.93E-14,1.578525061,-2.058945731,-12.76546353,-3.29431317,13.58904183,22.2366139,0,55.13324411,-2.71E-15,2.935334756,-3.828697507,-23.73792455,-6.125916012,25.26940355,41.34993308,0,0.005808,8.91E-17,3.09E-04,-4.03E-04,-0.002500667,-6.45E-04,0.002662,0.004356,0,0.246471253,4.78E-16,0.013122312,-0.017116059,-0.106119567,-0.027385695,0.112965991,0.18485344,0,1.33883576,2.14E-15,0.071280608,-0.092974706,-0.576443175,-0.148759529,0.613633057,1.00412682,0,0.200806248,-0.023746536,0.016529143,-0.002015621,-0.067523306,-0.036879567,0.076971529,0.139140842,0,-0.016496526,-0.096912048,-0.086117864,-0.265074258,-0.021210021,0.292014342,0.655935523,0,6.50E-16,0.053240741,-0.069444444,-0.430555556,-0.111111111,0.458333333,0.75,0,-4.91E-17,0.053240741,-0.069444444,-0.430555556,-0.111111111,0.458333333,0.75,0,1.53E-14,0.053240741,-0.069444444,-0.430555556,-0.111111111,0.458333333,0.75,0,1.94E-15,0.053240741,-0.069444444,-0.430555556,-0.111111111,0.458333333,0.75,0,1.60E-15,0.053240741,-0.069444444,-0.430555556,-0.111111111,0.458333333,0.75,0,-0.11825596,0.082313885,-0.010037641,-0.336260979,-0.183657465,0.383312422,0.692910916,0,1.070326308,1.023853146,1.07960917,1.275491815,0.944577253,0.463057509,0.321522682,0,1.111111111,0.972222222,1.064814815,1.388888889,0.972222222,0.324074074,0,0,1.111111111,0.972222222,1.064814815,1.388888889,0.972222222,0.324074074,0,0,1.111111111,0.972222222,1.064814815,1.388888889,0.972222222,0.324074074,0,0,1.111111111,0.972222222,1.064814815,1.388888889,0.972222222,0.324074074,0,0,1.111111111,0.972222222,1.064814815,1.388888889,0.972222222,0.324074074,0,0,1.254705144,0.843527813,0.941028858,1.339397742,1.143350063,0.39523212,0,0,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,36.23576186,17.81607589,25.97236485,36.17883457,4.019870507,17.81607597,-0.102469136,0.37732554,0.04192506,-0.877182266,72.05083751,8.005648612,3.849634752,0,11.89,12.11013444,-0.153436031,0.066826687,5.60477583,8.758382517,9,21,18,15,3,3,0,0,0,6,13.118484,3.815451989,3.075118137,2.865431575,2.491428186,2.065863181,1.546866472,0.758537801,0.747197571,2.001089275,1.602785818,1.412022506,1.039832623,0.874599477,0.593247241,0.240146238,0.01471024,3.826248511,3.108616922,2.897776128,2.527345752,2.126045991,1.635373201,0.883828322,0.860754725,1.96965727,1.524738108,1.327729192,0.956313159,0.765275453,0.471444993,0.072641088,0.118207023,3.876099621,3.262098246,3.05086035,2.686069931,2.379384915,1.993484364,1.399095904,1.311220731,1.886586455,1.293564866,1.083183019,0.718064375,0.427869257,0.058398234,0.508412398,0.608368734,3.834319181,3.133690294,2.922237609,2.553825451,2.169785349,1.699057902,0.975709513,0.941301543,1.950554195,1.474727355,1.27402322,0.903816696,0.694237042,0.389755254,0.041045521,0.211082119,3.902039899,3.339127454,3.130478172,2.764392088,2.496632893,2.148060088,1.618834385,1.501590733,1.863064053,1.222463142,1.01057788,0.645649001,0.316911535,0.092088778,0.723335556,0.795599327,3.839034369,3.139635782,2.976334468,2.618386285,2.227845203,1.737148036,1.089192619,1.015538651,1.948311357,1.441557916,1.19230821,0.828731117,0.622025831,0.32252006,0.167128766,0.28778457,0,0,0,4,2,2,1,0,0,0,0,0,0.083333333,0.142258898,0,0,0,0.027777778,0.047419633,0.402368927,0,0.11785113,0,0.24639964,0,0.058925565,0,1.069035594,1.408291245,1.304737854,0.590704015,0.686226046,0.511653807,6.690234444,4.342535255,3.43006888,2.813496153,1.999552237,1.209772801,0.469913203,0.176776695,0.743359383,0.482503917,0.311824444,0.216422781,0.153811711,0.1008144,0.078318867,0.058925565,6.016507858,3.388010441,2.280038013,1.642156173,1.006776424,0.470606092,0.168143667,0.058925565,0.668500873,0.376445605,0.207276183,0.126319706,0.07744434,0.039217174,0.028023944,0.019641855,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,2.27702,39.46,37.21619288,52.5703477,74.43238575,8.270265084,37.21619288,0.046958593,0.005217621,-2.752640152,68.11258832,7.568065368,3.799045842,67,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,4,0,0,0,0,0,0,0,0,2,0,1,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.35333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.619375,0,0.645277778,0,0,1.619375,0,0,0,0,0,0,0,0,4.334490741,0,1.145509259,0,0,8.494537037,0,0,0,0,2.858796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.402777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.390972222,0,0.285972222,0,0,0.390972222,0,0,0,0,0,0,0,0,2.15162037,0,1.145509259,0,0,2.07787037,0,0,0,0,1.402777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.175925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.417430556,0,0.359305556,0,0,0.417430556,0,0,0,0,0,0,0,0,2.18287037,0,1.145509259,0,0,2.175925926,0,0,0,0,1.456018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.83333333,1.87037037,0.417430556,2.18287037,0.131944444,1.145509259,5.536261296,0.354490741,0.18287037,1.658055556,0.354490741,0.18287037,1.658055556,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.22222,0.22222,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.47,0.60778,9.99821,4.52821,0.50313,2.30382,0.25598,4.34252,2.0387,0.22652,0.07148,0.00794,0.15748,0.0175,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.392317423,3.272804327,3.463280518,3.517816091,3.748994804,20.68979086,50.23866588,68.72889087,72.72889087,73.8741379,78.72889087,0.224307135,0.544659503,0.745120175,0.788485937,0.800902064,0.853534579,3.407089287,2,1.119513095,0.929036905,0.874501332,0.643322619,0.214882485,0.521774698,0.713812671,0.755356345,0.767250788,0.817671857,6.75154531,17.86857762,21.89657578,22.08854245,24.23725238,23.42336627,33.82580122,24.64405706,18.90378553,18.37337889,16.02690347,16.55066085,7.111111111,3.239669421,1.704142012,2,6,2,2.45,1.1391,0.25,3.377018974,2.149139864,0,5.085675265,5.676240019,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.395,11,13,13,12,6,3,1,0,0,77,2.564949357,3.068052935,3.548179572,3.929371644,4.298135385,3.725693427,3.168897455,2.151035195,0,0,5.596800274,3.487824675,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,3,0.333333333,0,3,5,0.666666667,1.5,1.111111111,0.5,0.262222222,0.0625,0,0,0,0,0,0.166666667,0.101010101,0.05,0.052444444,0.0625,0,0,0,0,0,0.432621212,19.67321585,27.79929374,39.34643171,4.371825745,19.67321587,0.085014734,0.009446082,-2.218437623,74.26283141,8.251425712,3.876849519,0,133.0544855,4.169925001,3.713572067,4.48863637,5.283203729,6.075346031,6.874198495,7.669961995,8.469472455,9.266058861,10.06564892,79.90609892,2.944438979,0,4.143134726,0,5.579729826,0,7.115582126,0,8.689296048,8.925587339,120.0939004,5.718757161,17.54892744,1.949880827,0,0,0,86,10,3.33,40,1.233966845,2.155093317,3.000666189,3.819210269,4.420215118,4.777148637,6.220278543,0,0,0,94.26734244,118.7051746,131.6302254,103.7908291,45.61340059,14.80906016,6.320201097,0,0,0,326.927337,443.1414145,534.7234087,540.4876822,367.2491985,223.5774916,193.3495485,0,0,0,9.036759105,15.50629783,21.45958117,27.16518487,30.6712233,32.4533896,41.79071746,0,0,0,2.379713299,3.386138227,4.254589692,4.687961117,3.710644342,2.724406816,2.765616112,0,0,0,173.1445827,322.0546381,456.9986303,589.8320892,740.6386675,854.8402013,1150.239303,0,0,0,3.225409968,4.753000374,6.276400712,7.584604518,6.907612954,5.674736759,6.220278543,0,0,0,0.489733493,0.703952203,0.891019855,0.995442579,0.809070336,0.612688146,0.636956523,0,0,0,259.5801144,120.1504104,10.44255981,99.94381434,-46.26044003,-5.266602834,159.6363001,166.4108505,15.70916264,0.722010675,0.334193084,0.029045521,0.277989325,-0.12867138,-0.014648824,93.32526254,43.1969476,3.754350127,35.93219278,-16.63173514,-1.893469742,0.134028234,0.132854339,3.371181196,1.796578619,359.5239287,0,1,0,666.9778556,25.82591442,8.737163679,784.0715378,28.00127743,9.221153035,1144.579632,33.83163656,10.46040913,1.347313736,1.347313736,474.6571509,338.7134069,177.4974476,1.401353301,2.674163248,1.908271986,3.998773862,3.785524729,6.661528955,0.759737271,3.673559607,3.820521846,4.590786654,10.23740683,4.813842919,6.319166611,6.877168027,7.357090679,3.122708575,3.634518214,1.761155313,0.549171909,1.80E-05,4.16E-31,1.96E-78,1.86E-147,3.51E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0.30840601,3.820354291,0.274931965,4.666165069,1.86286297,1.323321946,0.563264368,1.002141587,0.537807051,0.196045131,0.078625717,0.003867863,1.27E-07,2.93E-33,1.38E-80,1.31E-149,2.47E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0.995305602,3.820365864,0.9595795,5.33783913,2.197420708,2.070768121,1.745147155,1.98526584,0.926787916,0.70466418,0.299395334,0.040306111,1.32E-06,3.06E-32,1.44E-79,1.37E-148,2.58E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,3.467547315,3.820503583,4.257125,9.731648482,4.538447208,5.916989534,6.452810772,6.85694252,2.915412043,3.355653106,1.614755282,0.489302284,1.61E-05,3.71E-31,1.75E-78,1.66E-147,3.13E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,1.466840637,3.820380527,1.487857196,5.93714934,2.506599524,2.664721625,2.588219267,2.753399647,1.234979925,1.111194132,0.487370178,0.087550259,2.87E-06,6.64E-32,3.13E-79,2.97E-148,5.59E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,4.436330396,3.820598555,5.905038706,12.29699651,5.941078111,7.917628514,8.491318928,9.335062998,3.945927727,4.744652664,2.352482511,0.800915617,2.63E-05,6.07E-31,2.86E-78,2.71E-147,5.12E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,2.020531525,3.398089614,2.053022472,6.382626863,3.002149286,3.285271819,3.625681586,3.729530452,1.715392115,1.67143586,0.749658872,0.156983167,5.15E-06,1.19E-31,5.61E-79,5.32E-148,1.00E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,3.667802899,2.169309956,0.445355239,0.583815603,0.345295817,0.515577832,0.504739303,0.339826193,6.282468095,10.55619014,20.38217233,0.393667131,1.360143328,2.765226974,1.307792774,0.174104215,0.651082238,0.307924324,0.2934515,0.184772012,0.051735008,4.247123963,4.325473761,9.202218433,0.476623357,0.529958521,3.080908201,1.609343915,0.269027862,0.62124103,0.324511607,0.364075534,0.279115564,0.1237562,4.959279978,6.220049366,12.51323429,0.431861545,0.766947298,3.640584829,2.143359406,0.437181626,0.585197103,0.344529182,0.507970246,0.492846308,0.327444953,6.221125861,10.33171588,19.9642057,0.394589428,1.328261507,3.238202038,1.759504082,0.316303136,0.609370794,0.331106703,0.402101548,0.33321384,0.171187974,5.314009257,7.278419826,14.39460723,0.41405619,0.906503362,3.755009346,2.252443246,0.471541089,0.579566755,0.347653256,0.54033365,0.543773079,0.381040541,6.47899368,11.29070617,21.75796866,0.390830016,1.465147271,3.646201704,2.144521794,0.436674449,0.585509668,0.344368838,0.509585099,0.493696982,0.326898846,6.227397947,10.34802001,19.98993225,0.394817759,1.330180927 +UMLKV0133,L,M-ETHYLTOLUENE,CCC1=CC=CC(=C1)C,C9H12,Aromatic (single ring),Aromatics,620-14-4,2.920439935,PubChem,,0.787,0,1.9611,3.84591321,44.3682,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1811.945363,1609.182801,1025.099549,530.755682,135.295776,12.192768,0,4184.657049,5188.491512,6941.531225,6928.73748,5275.351979,3400.034448,1582.538586,373.0049332,0,148.486212,153.276228,258.0923,299.553156,295.86578,230.937608,165.234816,80.621568,0,30.43545486,38.46263172,53.83398791,56.49561099,46.4495312,32.07049675,17.36002377,5.335354858,0,3360.161029,2978.619777,5445.36734,6448.554114,6712.842402,5381.928943,4120.072605,2219.011824,0,43.80555556,53.16666667,77.27777778,86.83333333,75.5,55,34,12,0,62.40808843,68.74581643,50.33181564,38.31387621,24.40713212,16.08350552,5.637324,1.016064,0,199.2693833,247.0710244,192.8203118,164.96994,125.6036186,103.0313469,65.93910774,31.08374443,0,7.070772,7.298868,7.169230556,7.132218,7.044423333,6.998109333,6.884784,6.718464,0,1.449307374,1.831553891,1.495388553,1.345133595,1.105941219,0.971833235,0.723334324,0.444612905,0,160.0076681,141.839037,151.2602039,153.5370027,159.829581,163.0887558,171.6696919,184.917652,0,2.085978836,2.531746032,2.146604938,2.067460317,1.797619048,1.666666667,1.416666667,1,0,0.04601962,-3.58E-04,-0.005868395,-0.020339902,-0.007399644,-0.001911997,0.002718902,0.010149633,0,622.6251891,4.05E-13,56.82690218,-207.5417297,-224.8368739,-217.4246692,14.82440927,266.8393668,0,1157.798126,-5.68E-14,105.6720512,-385.9327088,-418.0937678,-404.3104568,27.56662205,496.199197,0,0.121968,1.87E-15,0.011132,-0.040656,-0.044044,-0.042592,0.002904,0.052272,0,5.175896322,1.00E-14,0.472403236,-1.725298774,-1.869073672,-1.807455859,0.123235627,2.218241281,0,28.11555097,4.40E-14,2.566101874,-9.371850323,-10.15283785,-9.81812891,0.66941788,12.04952184,0,4.216931217,-0.60978836,1.206160242,-1.497354497,-1.617724868,-0.86866969,-0.390778534,1.669690098,0,0.00219141,-1.71E-05,-1.63E-04,-4.84E-04,-1.76E-04,-5.79E-05,1.13E-04,8.46E-04,0,29.64881853,1.93E-14,1.578525061,-4.941469755,-5.353258901,-6.58862634,0.617683719,22.2366139,0,55.13324411,-2.71E-15,2.935334756,-9.188874018,-9.954613519,-12.25183202,1.148609252,41.34993308,0,0.005808,8.91E-17,3.09E-04,-9.68E-04,-0.001048667,-0.001290667,1.21E-04,0.004356,0,0.246471253,4.78E-16,0.013122312,-0.041078542,-0.044501754,-0.05477139,0.005134818,0.18485344,0,1.33883576,2.09E-15,0.071280608,-0.223139293,-0.241734235,-0.297519058,0.027892412,1.00412682,0,0.200806248,-0.029037541,0.033504451,-0.035651298,-0.038517259,-0.026323324,-0.016282439,0.139140842,0,-0.007788141,-0.074386328,-0.22099164,-0.080396618,-0.02643927,0.051696198,0.385962731,0,6.50E-16,0.053240741,-0.166666667,-0.180555556,-0.222222222,0.020833333,0.75,0,-4.91E-17,0.053240741,-0.166666667,-0.180555556,-0.222222222,0.020833333,0.75,0,1.53E-14,0.053240741,-0.166666667,-0.180555556,-0.222222222,0.020833333,0.75,0,1.94E-15,0.053240741,-0.166666667,-0.180555556,-0.222222222,0.020833333,0.75,0,1.56E-15,0.053240741,-0.166666667,-0.180555556,-0.222222222,0.020833333,0.75,0,-0.144604768,0.166849645,-0.177540778,-0.191813049,-0.131088172,-0.08108532,0.692910916,0,1.060870967,1.010933383,1.24386906,1.163921443,0.956712779,0.733849505,0.084749746,0,1.111111111,0.972222222,1.157407407,1.111111111,1.11952862,0.810185185,0,0,1.111111111,0.972222222,1.157407407,1.111111111,1.11952862,0.810185185,0,0,1.111111111,0.972222222,1.157407407,1.111111111,1.11952862,0.810185185,0,0,1.111111111,0.972222222,1.157407407,1.111111111,1.11952862,0.810185185,0,0,1.111111111,0.972222222,1.157407407,1.111111111,1.11952862,0.810185185,0,0,1.279799247,0.763017566,1.204516939,1.127666248,1.029998859,0.988080301,0,0,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,36.0445205,17.8821372,26.44963274,35.98759321,3.998621467,17.88213728,-0.102469136,0.342844979,0.038093887,-0.963429201,92.35480443,10.26164494,4.073073957,0,11.89,12.11013444,-0.155069761,0.065305538,5.526181955,8.44400789,9,21,18,15,3,3,0,0,0,6,13.118484,3.811285705,3.122192905,2.817988544,2.468695058,2.072430701,1.606108825,0.85823382,0.431113469,1.999248879,1.626172431,1.376660503,1.035030141,0.841567723,0.699412517,0.27320129,0.083923071,3.822315902,3.153465597,2.850918831,2.506318825,2.131695888,1.696155547,0.975778978,0.537848538,1.967623911,1.55023931,1.290717475,0.949607411,0.739807893,0.570594071,0.109579262,0.270913902,3.873057964,3.298046656,3.007379085,2.671558514,2.377566354,2.065162602,1.459663611,0.963169409,1.883696799,1.327955732,1.040485206,0.704660144,0.423834148,0.133013822,0.452074688,0.943918427,3.830551211,3.176937509,2.875860457,2.5340056,2.174588336,1.761195241,1.06113048,0.61483492,1.94837221,1.501799577,1.235856452,0.89581381,0.673822429,0.483694096,0.001108919,0.399277246,3.8993543,3.371419543,3.088935136,2.75248408,2.488997533,2.227257367,1.669945758,1.207644823,1.859817245,1.260502019,0.966140406,0.629643658,0.317553779,0.023797965,0.65654804,1.136002642,3.838881493,3.168751813,2.937162405,2.590658693,2.252841084,1.800435742,1.171115561,0.660313009,1.939430029,1.480848296,1.15240141,0.825365771,0.591649195,0.409096936,0.125147872,0.534653465,0,0,0,4,2,2,1,0,0,0,0,0,0.083333333,0.142258898,0,0,0,0.027777778,0.047419633,0.49279928,0,0,0,0.284517797,0,0,0,0.837103655,1.146659525,1.24013326,0.424376455,0.503923769,0.482896135,6.690234444,4.325698503,3.54605133,2.62234839,1.930516643,1.331224291,0.534517797,0.201184464,0.743359383,0.480633167,0.322368303,0.218529033,0.14850128,0.102401869,0.076359685,0.067061488,6.016507858,3.382027377,2.342606274,1.490732573,0.932061801,0.559962113,0.196901338,0.073304401,0.668500873,0.37578082,0.212964207,0.124227714,0.071697062,0.043074009,0.028128763,0.0244348,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,2.27702,39.46,36.7912283,50.73939382,73.58245661,8.175828512,36.7912283,0.054065423,0.006007269,-2.625804381,39.92247553,4.435830615,3.318245516,71,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,4,0,0,0,0,0,0,0,0,2,0,1,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.39324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.589444444,0,0.645277778,0,0,1.589444444,0,0,0,0,0,0,0,0,4.299537037,0,1.140555556,0,0,8.611435185,0,0,0,0,2.781805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.35587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.378819444,0,0.285972222,0,0,0.378819444,0,0,0,0,0,0,0,0,2.124166667,0,1.140555556,0,0,2.105324074,0,0,0,0,1.35587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.222222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40875,0,0.359305556,0,0,0.40875,0,0,0,0,0,0,0,0,2.17537037,0,1.140555556,0,0,2.222222222,0,0,0,0,1.425925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.83333333,1.87037037,0.40875,2.222222222,0.144097222,1.140555556,5.538328009,0.359444444,0.222222222,1.821944444,0.359444444,0.222222222,1.821944444,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.22222,0.22222,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.37176,0.59686,9.9286,4.55684,0.50632,2.3029,0.25588,4.32569,2.02278,0.22475,0.08831,0.00981,0.17431,0.01937,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.392317423,3.368042423,3.653756708,3.517816091,3.613054186,20.68979086,50.23866588,70.72889087,76.72889087,73.8741379,75.8741379,0.224307135,0.544659503,0.766803056,0.831851698,0.800902064,0.822584945,3.407089287,2,1.024275,0.738560714,0.874501332,0.779263237,0.214882485,0.521774698,0.734584508,0.79690002,0.767250788,0.788022625,6.75154531,17.86857762,23.03943292,23.32738293,23.19037858,24.33323572,33.82580122,24.64405706,17.536747,16.77850061,17.16610224,15.79906372,7.111111111,3.239669421,2,2,6,2,2.45,1.1391,0.2,3.516759154,1.807204007,0,4.941453946,6.26120069,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.395,11,12,13,13,7,3,0,0,0,77,2.564949357,3.068052935,3.504054767,3.944006051,4.328263187,3.840795496,3.056356895,0,0,0,5.583496309,3.441558442,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,3,0.333333333,0,3,5,0.666666667,2,0.666666667,0.5,0.342222222,0.0625,0,0,0,0,0,0.222222222,0.060606061,0.055555556,0.068444444,0.03125,0,0,0,0,0,0.438078283,20.13973017,29.36341876,40.27946033,4.475495593,20.13973017,0.079991382,0.008887931,-2.273252741,47.43521114,5.270579016,3.473428324,0,133.0544855,4.169925001,3.713572067,4.465908119,5.262690189,6.033086222,6.834108739,7.608374474,8.409830673,9.185125123,9.986495092,79.4991907,2.944438979,0,4.143134726,0,5.556828062,0,7.062191632,0,8.606851063,8.851090688,120.0939004,5.718757161,17.54944621,1.949938468,0,0,0,88,9,3.33,40,1.233966845,2.155024606,3.006602061,3.803575253,4.732338347,5.627310793,5.90603021,0,0,0,94.26734244,118.9857577,123.2933378,103.9474775,80.49995019,31.0266226,6.000904679,0,0,0,326.927337,443.7910469,519.2072207,512.2762041,506.2240303,365.8076947,183.5815336,0,0,0,9.036759105,15.50670926,21.49665094,26.88352142,33.18433047,38.71775749,39.67945135,0,0,0,2.379713299,3.389629213,4.186165788,4.425811404,4.731469263,4.028428089,2.625897248,0,0,0,173.1445827,321.9880536,457.8151978,601.3196506,766.6160736,968.0349704,1092.129239,0,0,0,3.215736753,4.804779339,6.364171796,7.065236819,8.049029972,7.909238475,5.90603021,0,0,0,0.489733493,0.704622443,0.878528449,0.940413619,1.018243483,0.890229874,0.604777493,0,0,0,273.3621505,126.6593352,10.3082173,97.67951143,-45.2587235,-5.035003642,175.682639,171.9180587,15.34322095,0.73674247,0.341361492,0.027781833,0.26325753,-0.121977471,-0.013569915,101.4287466,46.99589024,3.82477808,36.24316825,-16.79287198,-1.868196119,0.134438829,0.132225353,1.778489238,1.268284253,371.0416619,0,1,0,666.9778556,25.82591442,8.737163679,784.0715378,28.00127743,9.221153035,1121.219548,33.48461658,10.38875618,1.580629161,1.357998571,534.1249022,391.5036196,181.5358324,1.364291096,2.942256055,2.156618968,4.193560552,4.001863032,7.138102735,0.783694914,3.673559607,3.820518392,3.862882887,8.972241623,4.024349708,5.514497767,5.89076772,4.441774876,6.001203548,5.287974103,3.262359994,2.512684418,0.14850832,2.05E-06,5.47E-33,2.81E-81,2.78E-151,5.32E-243,0,0,0,0,0,0,0,0,0,0,0,0,0.30840601,3.820354267,0.296883239,4.738655281,0.964935454,1.295409127,0.493010609,0.874350095,0.825867472,0.347228098,0.091285455,0.017890989,0.001045956,1.44E-08,3.85E-35,1.98E-83,1.96E-153,3.75E-245,0,0,0,0,0,0,0,0,0,0,0,0,0.995305602,3.82036561,0.975724002,5.261440042,1.266618686,1.819692579,1.46562783,1.496204909,1.661726367,1.180477549,0.414936222,0.184915109,0.01089967,1.51E-07,4.01E-34,2.06E-82,2.04E-152,3.91E-244,0,0,0,0,0,0,0,0,0,0,0,0,3.467547315,3.820500505,3.627220631,8.592295399,3.722855627,5.137016168,5.514621264,4.185762722,5.606354308,4.923503233,2.953738395,2.238890124,0.132318239,1.83E-06,4.87E-33,2.50E-81,2.48E-151,4.74E-243,0,0,0,0,0,0,0,0,0,0,0,0,1.466840637,3.820379977,1.456292584,5.721678319,1.569563276,2.279635993,2.171655301,1.954661106,2.300999453,1.804516132,0.733205709,0.401183066,0.023675541,3.27E-07,8.71E-34,4.48E-82,4.44E-152,8.49E-244,0,0,0,0,0,0,0,0,0,0,0,0,4.436330396,3.820593517,4.75513867,10.51613572,5.270310901,7.047475801,7.335357244,5.432383889,7.55173713,6.707844232,4.535042443,3.663881474,0.216585427,2.99E-06,7.97E-33,4.10E-81,4.06E-151,7.77E-243,0,0,0,0,0,0,0,0,0,0,0,0,2.020537851,3.329195805,1.903437708,6.277355803,2.125103568,2.995191084,2.890802357,2.522860417,2.922713617,2.655470146,1.186350406,0.71898285,0.042451746,5.86E-07,1.56E-33,8.03E-82,7.96E-152,1.52E-243,0,0,0,0,0,0,0,0,0,0,0,0,4.600745398,2.14214627,0.425526081,0.641807657,0.298831115,0.599068656,0.456810161,0.322663013,7.168417749,12.72474586,24.08692296,0.462711485,1.37854183,3.121693706,1.385814711,0.163683872,0.668286277,0.296672589,0.278005386,0.191005115,0.047525802,4.67119229,5.063895494,10.44319879,0.502429416,0.516536304,3.637194514,1.652390951,0.255372643,0.655946257,0.297998816,0.375830319,0.272329934,0.115951367,5.544958109,7.360882725,14.44064761,0.483919385,0.76411162,4.555958106,2.119555077,0.417641918,0.642303466,0.298816965,0.58752452,0.44730985,0.310795719,7.093155101,12.44457826,23.57073604,0.463455199,1.345630089,3.894907513,1.784269202,0.301009507,0.651302045,0.298363485,0.430378631,0.317562076,0.161224383,5.980186222,8.659049702,16.73112061,0.476953067,0.90916509,4.744293368,2.214464607,0.450782977,0.640295181,0.29886664,0.6368365,0.487864128,0.36217723,7.409540952,13.64295938,25.78845773,0.460442772,1.486877858,4.554889737,2.123182148,0.417059345,0.641973994,0.299244944,0.587233755,0.448868357,0.310018183,7.09513123,12.45601286,23.58446687,0.462960992,1.346120294 +UMLKV0134,L,P-ETHYLTOLUENE,CCC1=CC=C(C=C1)C,C9H12,Aromatic (single ring),Aromatics,622-96-8,2.920447925,PubChem,,0.6717,0,1.9611,3.84591321,44.3682,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1811.945363,1609.182801,904.03354,464.209538,247.217209,78.738912,9.144576,4184.657049,5188.491512,6941.531225,6928.73748,5050.224566,2898.117216,1527.912299,874.9221648,279.7536999,148.486212,153.276228,258.0923,299.553156,295.842064,228.5426,104.792356,83.016576,60.466176,30.43545486,38.46263172,53.83398791,56.49561099,45.44310692,28.05690832,14.36493191,9.348943289,4.001516144,3360.161029,2978.619777,5445.36734,6448.554114,6707.375489,5572.699569,2461.28065,2028.241198,1664.258868,43.80555556,53.16666667,77.16666667,87.44444444,76.83333333,48.66666667,23.5,18,9,62.40808843,68.74581643,50.33181564,38.31387621,21.5246081,14.0669557,16.48114727,6.561576,1.016064,199.2693833,247.0710244,192.8203118,164.96994,120.243442,87.82173382,101.86082,72.9101804,31.08374443,7.070772,7.298868,7.169230556,7.132218,7.043858667,6.925533333,6.986157067,6.918048,6.718464,1.449307374,1.831553891,1.495388553,1.345133595,1.081978736,0.850209343,0.957662127,0.779078607,0.444612905,160.0076681,141.839037,151.2602039,153.5370027,159.6994164,168.8696839,164.0853767,169.0200999,184.917652,2.085978836,2.531746032,2.143518519,2.082010582,1.829365079,1.474747475,1.566666667,1.5,1,0.045997755,-3.65E-04,-0.005432588,-0.01907959,-0.019622593,0.015820017,0.002569065,-0.002704489,0.005816732,622.6251891,3.91E-13,56.82690218,-207.5417297,-345.9028829,93.88792535,-64.23910682,-44.4732278,200.1295251,1157.798126,-5.68E-14,105.6720512,-385.9327088,-643.2211813,174.5886063,-119.4553622,-82.69986616,372.1493977,0.121968,1.87E-15,0.011132,-0.040656,-0.06776,0.018392,-0.012584,-0.008712,0.039204,5.175896322,1.00E-14,0.472403236,-1.725298774,-2.875497957,0.780492303,-0.534021049,-0.36970688,1.663680961,28.11555097,4.49E-14,2.566101874,-9.371850323,-15.61975054,4.239646575,-2.900810814,-2.008253641,9.037141383,4.216931217,-0.60978836,1.095049131,-0.886243386,-3.03042328,0.349584278,0.289493575,-0.56840514,1.252267574,0.002190369,-1.74E-05,-1.51E-04,-4.54E-04,-4.67E-04,4.79E-04,1.71E-04,-2.25E-04,6.46E-04,29.64881853,1.86E-14,1.578525061,-4.941469755,-8.235782925,2.845088647,-4.282607121,-3.706102316,22.2366139,55.13324411,-2.71E-15,2.935334756,-9.188874018,-15.31479003,5.290563829,-7.963690816,-6.891655513,41.34993308,0.005808,8.91E-17,3.09E-04,-9.68E-04,-0.001613333,5.57E-04,-8.39E-04,-7.26E-04,0.004356,0.246471253,4.78E-16,0.013122312,-0.041078542,-0.068464237,0.023651282,-0.035601403,-0.030808907,0.18485344,1.33883576,2.14E-15,0.071280608,-0.223139293,-0.371898822,0.128474139,-0.193387388,-0.16735447,1.00412682,0.200806248,-0.029037541,0.030418031,-0.021101033,-0.072152935,0.010593463,0.019299572,-0.047367095,0.139140842,-0.007944536,-0.068894872,-0.207396973,-0.21329947,0.218864668,0.078192755,-0.10289318,0.295066007,6.28E-16,0.053240741,-0.166666667,-0.277777778,0.095959596,-0.144444444,-0.125,0.75,-4.91E-17,0.053240741,-0.166666667,-0.277777778,0.095959596,-0.144444444,-0.125,0.75,1.53E-14,0.053240741,-0.166666667,-0.277777778,0.095959596,-0.144444444,-0.125,0.75,1.94E-15,0.053240741,-0.166666667,-0.277777778,0.095959596,-0.144444444,-0.125,0.75,1.60E-15,0.053240741,-0.166666667,-0.277777778,0.095959596,-0.144444444,-0.125,0.75,-0.144604768,0.151479506,-0.105081556,-0.359316186,0.052754648,0.096110414,-0.235884567,0.692910916,1.060816136,1.006431046,1.240481104,1.316051044,0.79733817,0.666338393,0.647561309,0.004335783,1.111111111,0.972222222,1.157407407,1.203703704,0.765993266,1.037037037,0.972222222,0,1.111111111,0.972222222,1.157407407,1.203703704,0.765993266,1.037037037,0.972222222,0,1.111111111,0.972222222,1.157407407,1.203703704,0.765993266,1.037037037,0.972222222,0,1.111111111,0.972222222,1.157407407,1.203703704,0.765993266,1.037037037,0.972222222,0,1.111111111,0.972222222,1.157407407,1.203703704,0.765993266,1.037037037,0.972222222,0,1.279799247,0.777655793,1.135508156,1.391154329,0.760522414,0.645545797,1.185696361,0,32.79798255,16.39899128,24.48303964,32.79798255,3.644220284,16.39899161,-1.42E-14,0.170774182,0.018974909,-1.590671852,89.17213872,9.908015413,4.04151178,32.79798255,16.39899128,24.48303964,32.79798255,3.644220284,16.39899161,-1.42E-14,0.170774182,0.018974909,-1.590671852,89.17213872,9.908015413,4.04151178,32.79798255,16.39899128,24.48303964,32.79798255,3.644220284,16.39899161,-1.42E-14,0.170774182,0.018974909,-1.590671852,89.17213872,9.908015413,4.04151178,32.79798255,16.39899128,24.48303964,32.79798255,3.644220284,16.39899161,-1.42E-14,0.170774182,0.018974909,-1.590671852,89.17213872,9.908015413,4.04151178,32.79798255,16.39899128,24.48303964,32.79798255,3.644220284,16.39899161,-1.42E-14,0.170774182,0.018974909,-1.590671852,89.17213872,9.908015413,4.04151178,32.79798255,16.39899128,24.48303964,32.79798255,3.644220284,16.39899161,-1.42E-14,0.170774182,0.018974909,-1.590671852,89.17213872,9.908015413,4.04151178,36.62820657,18.1980539,27.42615969,36.57127928,4.063475475,18.19805396,-0.102469136,0.307015841,0.034112871,-1.062770339,60.28583722,6.698426357,3.689187484,0,11.85,12.15009716,-0.208457005,0.091647312,5.486884731,8.286821152,9,21,18,15,3,3,0,0,0,6,13.118484,3.809998702,3.151679818,2.669377422,2.619181914,2.06444048,1.54607677,0.941428501,0.355212062,1.998667264,1.636861694,1.336988313,1.082250302,0.890153661,0.592374288,0.310513972,0.083923071,3.821098891,3.18110915,2.715423699,2.645815032,2.124695427,1.634964439,1.053336623,0.47280926,1.966982952,1.562521936,1.24391233,1.007167592,0.776324046,0.470479515,0.150156259,0.270913902,3.872109481,3.318459634,2.918132064,2.771820215,2.379982448,1.993402581,1.517793787,0.956901234,1.882794413,1.347129464,0.958357474,0.798620231,0.429255525,0.058210061,0.396843083,0.943918427,3.829383618,3.203263,2.749405894,2.665925019,2.168559058,1.698841878,1.134811365,0.55862046,1.947685651,1.515276368,1.183450565,0.960278991,0.702694033,0.388848806,0.041902902,0.399277246,3.898513937,3.388937547,3.015955316,2.838078588,2.499406736,2.147675529,1.721464227,1.207644823,1.858806684,1.282591409,0.866890681,0.738564276,0.31671372,0.092095034,0.594311107,1.158268529,3.838831345,3.189478797,2.808393933,2.74621998,2.222579587,1.735861929,1.247462449,0.623451771,1.936777483,1.499047181,1.101229856,0.868246924,0.639005395,0.319772401,0.082485288,0.534653465,0,0,0,4,2,2,1,0,0,0,0,0,0.083333333,0.142258898,0,0,0,0.027777778,0.047419633,0.49279928,0,0,0,0.284517797,0,0,0,0.90104757,0.937443702,1.069035594,0.446383983,0.395188456,0.393802676,6.690234444,4.325698503,3.534145948,2.712778743,1.73736354,1.373773448,0.686886724,0.11785113,0.743359383,0.480633167,0.321285995,0.226064895,0.144780295,0.098126675,0.08586084,0.058925565,6.016507858,3.382027377,2.33915195,1.52885073,0.823781258,0.566635354,0.280731778,0.03928371,0.668500873,0.37578082,0.212650177,0.127404228,0.068648438,0.040473954,0.035091472,0.019641855,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,2.27702,39.46,36.40309101,49.22239066,72.80618203,8.089575781,36.40309101,0.096723867,0.010747096,-2.102305585,57.28426909,6.364918788,3.643223445,77,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,4,0,0,0,0,0,0,0,0,2,0,1,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.41231481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.575138889,0,0.645277778,0,0,1.575138889,0,0,0,0,0,0,0,0,4.281851852,0,1.139166667,0,0,8.655092593,0,0,0,0,2.757222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.34,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.390972222,0,0.285972222,0,0,0.390972222,0,0,0,0,0,0,0,0,2.110555556,0,1.139166667,0,0,2.15162037,0,0,0,0,1.34,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.175925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0,0.359305556,0,0,0.396597222,0,0,0,0,0,0,0,0,2.171296296,0,1.139166667,0,0,2.175925926,0,0,0,0,1.417222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.83333333,1.87037037,0.396597222,2.175925926,0.149722222,1.139166667,5.538155463,0.360833333,0.175925926,1.873888889,0.360833333,0.175925926,1.873888889,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.22222,0.22222,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.30874,0.58986,9.88205,4.57331,0.50815,2.3029,0.25588,4.32569,2.02278,0.22475,0.08831,0.00981,0.17431,0.01937,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.392317423,3.082328137,3.368042423,3.3273399,3.232101805,20.68979086,50.23866588,64.72889087,70.72889087,69.8741379,67.8741379,0.224307135,0.544659503,0.701754413,0.766803056,0.757536303,0.735853422,3.407089287,2,1.309989286,1.024275,1.064977523,1.160215618,0.214882485,0.521774698,0.672268996,0.734584508,0.725707113,0.704935276,6.75154531,17.86857762,19.6108615,23.03943292,20.90466429,20.80868095,33.82580122,24.64405706,22.08622535,17.536747,19.9001793,20.12801905,7.111111111,3.239669421,2,2,6,2,2.45,1.1391,0.166666667,3.619399318,1.590541458,0,4.883593419,6.597539554,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.395,11,12,12,14,8,2,0,0,0,77,2.564949357,3.068052935,3.504054767,3.899444223,4.385925275,3.876395828,2.784239339,0,0,0,5.579258017,3.426948052,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,3,0.333333333,0,3,6,1,2,0.888888889,0.25,0.342222222,0.118055556,0,0,0,0,0,0.222222222,0.080808081,0.027777778,0.085555556,0.059027778,0,0,0,0,0,0.475391414,20.69044905,31.20338714,41.3808981,4.597877567,20.69044905,0.05682378,0.006313753,-2.581020349,58.78058292,6.53117588,3.66643042,0,133.0544855,4.169925001,3.713572067,4.465908119,5.252273428,6.02827852,6.816735881,7.598399329,8.386400901,9.169830829,9.957265258,79.38866433,2.944438979,0,4.143134726,0,5.556828062,0,7.055312843,0,8.590257762,8.836955157,120.0939004,5.718757161,17.54959443,1.949954937,0,0,0,90,9,3.33,40,1.233966845,2.154997781,3.006507819,3.803357615,4.677762613,5.698942706,6.622885574,7.003494044,0,0,94.26734244,118.9825721,123.2890104,89.80065866,71.52288664,100.5293468,43.76375752,7.115998172,0,0,326.927337,443.7812849,519.1824133,485.0010793,428.4286507,600.808917,485.1927336,217.694819,0,0,9.036759105,15.50650918,21.49592871,26.87322772,32.4410923,39.86557499,45.82849614,47.05272261,0,0,2.379713299,3.389563076,4.185960522,4.299309639,4.088514364,5.586031346,5.178276008,3.113843831,0,0,173.1445827,321.9845161,457.8047579,601.1336056,786.6135783,931.2972722,1118.520145,1295.069675,0,0,3.215734004,4.797634439,6.420202747,7.171621845,7.012487519,9.090083388,9.962025577,7.003494044,0,0,0.489733493,0.704609024,0.878485517,0.916943776,0.885106439,1.202060892,1.137649147,0.71715779,0,0,296.1036161,137.2008957,10.99396077,103.9063444,-48.14545567,-5.320593125,192.1972717,185.3463513,16.31455389,0.740240607,0.342993698,0.027484218,0.259759393,-0.120360642,-0.013301152,118.4443958,54.88172486,4.397693812,41.56357273,-19.25866182,-2.128290246,0.133886452,0.132221195,3.36761499,1.268244373,400.0099605,0,1,0,666.9778556,25.82591442,8.737163679,784.0715378,28.00127743,9.221153035,1117.89636,33.43495716,10.37848226,1.982909949,1.982909949,569.5083595,498.6384272,113.4177856,1.142126897,5.021332029,4.39647472,4.080254558,4.389329297,7.686849735,0.751258385,3.673559607,3.820518392,3.848758485,9.258305979,4.132518983,5.158503539,5.566539024,7.133680978,3.49939436,3.585697631,1.960502612,3.134467293,2.350105866,1.77048424,7.09E-05,2.00E-29,1.30E-75,1.68E-143,4.20E-233,0,0,0,0,0,0,0,0,0,0,0,0.30840601,3.820354267,0.295644964,5.070115366,0.973968008,1.280955538,0.467225662,1.040810252,0.540416533,0.235812194,0.096642002,0.176481569,0.193038827,0.012469665,4.99E-07,1.41E-31,9.17E-78,1.18E-145,2.96E-235,0,0,0,0,0,0,0,0,0,0,0,0.995305602,3.82036561,0.971761574,5.613566045,1.295806752,1.825225253,1.380904297,2.072745936,0.95432264,0.734874251,0.356643229,0.492285686,0.625913296,0.129943526,5.20E-06,1.47E-30,9.55E-77,1.23E-144,3.09E-234,0,0,0,0,0,0,0,0,0,0,0,3.467547315,3.820500505,3.613851918,8.891727854,3.824927377,4.833664406,5.209363591,6.685769971,3.251002312,3.315271882,1.803786311,2.851502387,2.215423669,1.577469582,6.32E-05,1.78E-29,1.16E-75,1.50E-143,3.75E-233,0,0,0,0,0,0,0,0,0,0,0,1.466840637,3.820379977,1.450487967,6.07910335,1.612611343,2.272254232,2.04588433,2.844010131,1.294896186,1.13231219,0.570890748,0.794583673,0.925273843,0.282254703,1.13E-05,3.19E-30,2.07E-76,2.68E-144,6.70E-234,0,0,0,0,0,0,0,0,0,0,0,4.436330396,3.820593517,4.738253975,10.740681,5.401088861,6.46053911,6.940092014,8.87714831,4.495430582,4.661160391,2.589135364,4.297835089,2.851757431,2.58208487,1.03E-04,2.92E-29,1.90E-75,2.45E-143,6.13E-233,0,0,0,0,0,0,0,0,0,0,0,2.020537873,3.329165379,1.894741964,6.685653767,2.186741056,2.987154852,2.937313618,3.761790212,1.749322633,1.619699927,0.760436502,1.235494341,1.327999355,0.506100583,2.03E-05,5.72E-30,3.72E-76,4.80E-144,1.20E-233,0,0,0,0,0,0,0,0,0,0,0,5.90905068,1.394627522,0.442551027,0.762829308,0.180039537,0.574934963,0.424080919,0.332868187,7.74622923,11.473175,22.86643392,0.644243962,1.33188407,3.989303602,0.768419059,0.181819906,0.807626121,0.155564822,0.26206185,0.128904228,0.05637943,4.939542567,3.930505606,9.427409262,0.711439181,0.447345508,4.661011816,0.987509985,0.273065404,0.787122043,0.166764408,0.357732493,0.212758646,0.126965207,5.921587204,6.145211592,13.32366306,0.680683064,0.697456345,5.851192263,1.37575297,0.43469465,0.763699724,0.179563774,0.563731849,0.412688308,0.32117588,7.661639883,11.19130956,22.35215232,0.645549586,1.297596037,4.99559427,1.096648424,0.318506968,0.779252745,0.171063991,0.410929812,0.262328803,0.172634421,6.410749661,7.418832328,15.57449393,0.668879117,0.845893036,6.094414996,1.455097378,0.467720532,0.760164394,0.181496209,0.611569284,0.461624914,0.371732462,8.017232905,12.39902922,24.56399249,0.640246592,1.444926659,5.84974144,1.37730455,0.434234969,0.763546132,0.179774708,0.563433541,0.413615191,0.320447172,7.661280959,11.19511159,22.35496963,0.645319198,1.297495904 +UMLKV0135,L,"1,2,3-TRIMETHYLBENZENE",CC1=C(C(=CC=C1)C)C,C9H12,Aromatic (single ring),Aromatics,526-73-8,2.911400932,PubChem,,0.8317,0,2.7426,7.52185476,43.8018,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1921.920348,1903.721747,1032.131188,248.409504,18.289152,0,0,4184.657049,5188.491512,7083.005766,7704.005434,6156.908624,2997.771428,559.5073998,0,0,148.486212,153.276228,257.716848,281.441036,340.543696,329.671296,120.932352,0,0,30.43545486,38.46263172,54.17148079,60.51927787,55.4690298,33.38218473,8.003032287,0,0,3360.161029,2978.619777,5482.629357,5745.759462,7467.135254,8303.73542,3328.517736,0,0,44.33333333,54.22222222,76.77777778,89.33333333,94,66,18,0,0,62.40808843,68.74581643,53.38667633,48.81337813,21.50273308,5.175198,1.016064,0,0,199.2693833,247.0710244,196.7501602,197.5386009,128.2689297,62.45357141,31.08374443,0,0,7.070772,7.298868,7.158801333,7.216436821,7.094660333,6.868152,6.718464,0,0,1.449307374,1.831553891,1.504763355,1.551776356,1.155604788,0.695462182,0.444612905,0,0,160.0076681,141.839037,152.2952599,147.3271657,155.5653178,172.9944879,184.917652,0,0,2.111111111,2.582010582,2.132716049,2.290598291,1.958333333,1.375,1,0,0,0.040175925,0.001528222,0.003180759,-0.016421178,-0.036545608,0.00575496,0.022414883,0,0,622.6251891,4.19E-13,229.7783436,-291.5467156,-783.2229562,133.4196834,400.2590502,0,0,1157.798126,-1.14E-13,427.2826418,-542.1435671,-1456.436532,248.0995985,744.2987955,0,0,0.121968,1.86E-15,0.045012,-0.057112,-0.153428,0.026136,0.078408,0,0,5.175896322,9.60E-15,1.910152214,-2.423633992,-6.510948945,1.10912064,3.327361921,0,0,28.11555097,4.22E-14,10.37597714,-13.16521831,-35.367578,6.024760922,18.07428277,0,0,4.285714286,-1.015873016,1.811791383,-0.62585034,-5.034013605,0.108843537,2.612244898,0,0,0.001913139,7.28E-05,8.84E-05,-4.21E-04,-7.61E-04,1.20E-04,0.001245271,0,0,29.64881853,2.00E-14,6.382731767,-7.475556809,-16.31714492,2.779576737,22.2366139,0,0,55.13324411,-5.41E-15,11.86896227,-13.9011171,-30.34242775,5.168741635,41.34993308,0,0,0.005808,8.85E-17,0.001250333,-0.00146441,-0.003196417,5.44E-04,0.004356,0,0,0.246471253,4.57E-16,0.053059784,-0.062144461,-0.13564477,0.02310668,0.18485344,0,0,1.33883576,2.01E-15,0.288221587,-0.3375697,-0.736824542,0.125515853,1.00412682,0,0,0.204081633,-0.048374906,0.050327538,-0.016047445,-0.104875283,0.002267574,0.145124717,0,0,0.038038258,0.046182946,-0.220086355,-0.397967276,0.06266925,0.650904646,0,0,6.73E-16,0.215277778,-0.252136752,-0.550347222,0.09375,0.75,0,0,-9.82E-17,0.215277778,-0.252136752,-0.550347222,0.09375,0.75,0,0,1.52E-14,0.215277778,-0.252136752,-0.550347222,0.09375,0.75,0,0,1.86E-15,0.215277778,-0.252136752,-0.550347222,0.09375,0.75,0,0,1.50E-15,0.215277778,-0.252136752,-0.550347222,0.09375,0.75,0,0,-0.237037037,0.246604938,-0.078632479,-0.513888889,0.011111111,0.711111111,0,0,1.010128376,0.92975357,1.330977265,1.37188559,0.727926988,0.145392138,0,0,1.111111111,0.810185185,1.296296296,1.498842593,0.729166667,0,0,0,1.111111111,0.810185185,1.296296296,1.498842593,0.729166667,0,0,0,1.111111111,0.810185185,1.296296296,1.498842593,0.729166667,0,0,0,1.111111111,0.810185185,1.296296296,1.498842593,0.729166667,0,0,0,1.111111111,0.810185185,1.296296296,1.498842593,0.729166667,0,0,0,1.395061728,0.633744856,1.056980057,1.555555556,0.875,0,0,0,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,33.20712428,16.19341682,22.14275614,33.18490205,3.687211339,16.19341724,-0.066666667,8.89E-17,9.87E-18,-33.26341335,5000010.682,555556.7425,13.88245555,0,11.85,12.15009716,-0.20991491,0.090205492,6.23875,8.758384778,9,21,18,15,3,3,0,0,0,6,13.118484,3.837367081,2.978981869,2.895422064,2.505534111,2.024738679,1.747803013,0.758189562,0.441365589,2.009891347,1.493916978,1.412097968,1.300321342,0.783323018,0.504273083,0.182039807,0.083923071,3.847131707,3.0085188,2.924654716,2.56616622,2.082600027,1.811386711,0.882494449,0.545672476,1.980075811,1.412300855,1.328237853,1.199849988,0.682662645,0.411135567,0.028878977,0.270913902,3.892686795,3.149926772,3.064662777,2.822720652,2.324156623,2.066152029,1.384071661,0.963720007,1.902365083,1.180117151,1.094655717,0.87156837,0.369849397,0.112224304,0.526193268,0.943918427,3.854454913,3.030937363,2.946831905,2.610375339,2.124567978,1.856928308,0.97215515,0.621114151,1.962054508,1.360731895,1.2757869,1.132925399,0.617333107,0.350539445,0.077669619,0.399277246,3.916684571,3.224500232,3.138866256,2.940349198,2.434292052,2.176025562,1.59693027,1.207644823,1.880701512,1.11246322,1.027514451,0.759509312,0.264988018,0.005459046,0.734907754,1.133948601,3.838651519,3.055466305,2.993656732,2.688847821,2.193688616,1.880015497,1.071558134,0.657550841,1.971239809,1.3069968,1.20234035,1.040006601,0.540885432,0.325476185,0.1839803,0.529411765,0,0,0,3,3,3,0,0,0,0,0,0,0.068041382,0.204124145,0,0,0,0.024056261,0.072168784,0.663854611,0,0.272165527,0,0.413675135,0,0.144337567,0,1.733969088,1.979392051,2.190389772,0.994016936,0.968233513,0.904237747,6.853371151,4.215214055,3.744588185,3.114068787,1.848425766,1.072102901,0.526099421,0.136082763,0.761485683,0.468357117,0.312049015,0.222433485,0.142186597,0.089341908,0.07515706,0.068041382,6.232050808,3.244016936,2.516808827,1.875462792,0.897791891,0.42012099,0.19245009,0.048112522,0.69245009,0.360446326,0.209734069,0.133961628,0.069060915,0.035010083,0.02749287,0.024056261,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,1.77066,37.362,36.67290345,48.67889424,73.3458069,8.1495341,36.67290345,0.016616204,0.001846245,-3.687639223,421.5163183,46.83514647,5.439472642,63,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.56018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.201944444,0,0,0,0,1.201944444,0,0,0,0,0,0,0,0,6.439814815,0,0,0,0,6.377314815,0,0,0,0,4.18287037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.384259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0,0,0,0,0.396597222,0,0,0,0,0,0,0,0,2.141203704,0,0,0,0,2.094907407,0,0,0,0,1.384259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.141203704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40875,0,0,0,0,0.40875,0,0,0,0,0,0,0,0,2.157407407,0,0,0,0,2.141203704,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17,1.888888889,0.40875,2.157407407,0.131944444,1.384259259,5.525391204,0.282407407,0.157407407,1.634259259,0.282407407,0.157407407,1.634259259,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.33333,0.33333,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.86262,0.6514,10.4931,4.63048,0.5145,2.06158,0.22906,4.21519,2.15362,0.23929,0.19881,0.02209,0.28481,0.03165,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.128085279,2.390455517,2.652825755,3.236857303,3.332095399,20.68979086,44.68979086,50.19956586,55.70934087,67.97400337,69.97400337,0.224307135,0.484501705,0.544235602,0.6039695,0.736936107,0.758618988,3.407089287,2.264232144,2.001861906,1.739491667,1.155460119,1.060222024,0.214882485,0.464144533,0.521368608,0.578592683,0.70597247,0.726744308,6.75154531,15.36999611,18.51843897,20.22487205,21.86034747,20.909457,33.82580122,27.57483228,23.40077103,20.96590197,18.95755632,19.8604161,7.111111111,2.722222222,1.469387755,0,6,0,2.45,1.1391,0.908560296,2.9826782,5.181129588,0,2.381101578,4.585756412,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.1,0.505,0.68,4.372,12,14,13,12,7,2,0,0,0,78,2.564949357,3.157000421,3.630985476,3.986666548,4.342993404,3.944006051,2.784239339,0,0,0,5.619947865,3.524038462,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,4,0.333333333,2,1.555555556,0.6875,0.333333333,0,0,0,0,0,0,0.222222222,0.12962963,0.0625,0.083333333,0,0,0,0,0,0,0.497685185,18.64904007,25.47746719,37.29808014,4.144231127,18.6490401,3.10E-16,3.44E-17,-32.13980727,5000010.414,555556.7126,13.8824555,0,133.0544855,4.169925001,3.761200116,4.553876892,5.370638028,6.180016654,7.00033446,7.812378206,8.633552993,9.446123704,10.26747073,81.02559178,2.944438979,0,4.204692619,0,5.686975356,0,7.263329617,0,8.876125585,9.101863896,120.0939004,5.718757161,17.38253322,1.931392579,0,0,0,82,11,3.258,42,1.233300178,2.143629399,3.063002194,3.808373416,4.417137531,5.753812093,0,0,0,0,94.09564805,126.5087169,157.9266193,89.31497623,25.3200399,5.846241331,0,0,0,0,326.4685465,454.4984762,626.4631208,511.2230101,294.4239129,178.8500246,0,0,0,0,9.031490446,15.41305122,22.14189658,27.0767591,30.42612504,38.65677941,0,0,0,0,2.376896686,3.42021181,4.875732059,4.544322797,3.220350611,2.558219109,0,0,0,0,173.0750978,321.7322639,448.6912616,588.21507,757.0868878,1063.981422,0,0,0,0,3.280371767,4.776662573,7.164991882,7.631929236,6.295408236,5.753812093,0,0,0,0,0.489174207,0.709316992,1.015997098,0.968355347,0.710764932,0.589190358,0,0,0,0,254.4920433,110.8849962,9.44053182,77.6152718,-33.81783181,-3.902316437,176.8767715,144.702828,13.34284826,0.766294603,0.333883029,0.028426148,0.233705397,-0.101828024,-0.011750167,84.51866921,36.82571836,3.135269676,25.77659953,-11.23114932,-1.295987835,0.142361419,0.140564756,3.051697076,2.006939697,332.1073151,0,1,0,669.1530565,25.8679929,8.746651482,786.0344264,28.03630551,9.22884154,1158.124561,34.0312292,10.50151017,1.235244112,1.224160314,482.4556763,279.7379979,212.8332245,1.724669798,2.266825011,1.314353051,4.00314027,3.785389562,6.367568618,0.682143545,3.591901278,4.850430554,5.427785225,10.56066725,1.977932278,2.609761682,6.982469158,7.876717891,1.700725624,4.391223125,0.767629302,0.345905161,8.48E-18,4.01E-56,3.66E-116,6.45E-198,2.19E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,0.301552992,3.877877027,0.276499361,5.321234982,0.82780655,0.396421178,0.663107901,0.489602562,0.997041428,0.109068737,0.005406637,0.002436238,5.98E-20,2.83E-58,2.58E-118,4.54E-200,1.54E-303,0,0,0,0,0,0,0,0,0,0,0,0,0,0.973183225,3.942865295,1.009891843,6.073821689,0.92661062,0.819257222,1.950593857,1.692783718,1.135318736,0.523050257,0.056340061,0.025387482,6.23E-19,2.95E-57,2.69E-117,4.73E-199,1.61E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390468513,4.743652807,4.999895799,10.12780668,1.859423868,2.464019617,6.594742595,7.316695969,1.655750519,3.966305454,0.683943999,0.308195271,7.56E-18,3.58E-56,3.26E-116,5.74E-198,1.95E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,1.434236324,4.027125715,1.607791717,6.684540998,1.034806185,1.118117934,2.835134239,2.609197612,1.23183316,0.943848059,0.122377745,0.055145003,1.35E-18,6.40E-57,5.84E-117,1.03E-198,3.49E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,4.337716138,5.299416509,7.139838129,12.29064341,2.471327857,3.161009041,8.419022337,10.0726122,1.86940103,6.149311993,1.11951467,0.504470169,1.24E-17,5.85E-56,5.34E-116,9.40E-198,3.19E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,2.013495495,3.921882412,2.165315677,7.18895007,1.265050046,1.490571804,3.867392014,3.757069258,1.466937654,1.515632024,0.215149283,0.096949197,2.38E-18,1.13E-56,1.03E-116,1.81E-198,6.14E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,3.643898517,2.627863448,0.238927834,0.559679332,0.403622892,0.529869491,0.464723405,0.28569781,6.510689799,11.07416622,19.87274957,0.444953336,1.280290706,2.287925025,1.7951278,0.042087086,0.554629679,0.435167737,0.210232933,0.21810798,0.008864786,4.125139911,4.278961612,8.576958145,0.484696124,0.437205698,2.762095888,2.086774543,0.110960615,0.556893141,0.420735006,0.305249995,0.293812422,0.061618265,4.959831045,6.301905028,11.90129879,0.466442219,0.660680681,3.603007457,2.602790081,0.232995348,0.559578095,0.40423572,0.518080885,0.455933108,0.271686373,6.438792887,10.82379403,19.44758749,0.445720723,1.245700366,2.998430678,2.231898201,0.14526694,0.557785737,0.415190851,0.359355222,0.335780414,0.105610195,5.375595819,7.451985906,13.79973598,0.459464882,0.80074583,3.774908158,2.708187774,0.257934075,0.559989817,0.40174688,0.568536402,0.493452435,0.332959227,6.741030007,11.89537147,21.27330282,0.442605045,1.394948063,3.604454833,2.606457169,0.232695238,0.559384627,0.4045028,0.518511265,0.457232283,0.270986915,6.44360724,10.84010679,19.46985254,0.44583114,1.246730464 +UMLKV0136,L,"1,2,4-TRIMETHYLBENZENE",CC1=CC(C)=C(C)C=C1,C9H12,Aromatic (single ring),Aromatics,95-63-6,2.91137286,PubChem,,0.8547,0,2.7426,7.52185476,43.8018,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1921.920348,1782.655738,965.585044,360.330937,84.835296,9.144576,0,4184.657049,5188.491512,7083.005766,7478.87802,5654.991392,2943.145141,1061.424631,279.7536999,0,148.486212,153.276228,257.716848,281.41732,338.148688,269.228836,123.32736,60.466176,0,30.43545486,38.46263172,54.17148079,59.51285358,51.45544137,30.38709287,12.01662072,4.001516144,0,3360.161029,2978.619777,5482.629357,5740.292549,7657.90588,6644.943464,3137.747111,1664.258868,0,44.33333333,54.11111111,77.44444444,90.44444444,87.33333333,56,24,9,0,62.40808843,68.74581643,53.38667633,45.70912149,20.11635508,9.239254795,4.713072,1.016064,0,199.2693833,247.0710244,196.7501602,191.7661031,117.8123207,75.46526003,58.96803508,31.08374443,0,7.070772,7.298868,7.158801333,7.215828718,7.044764333,6.903303487,6.85152,6.718464,0,1.449307374,1.831553891,1.504763355,1.525970605,1.071988362,0.779156227,0.66759004,0.444612905,0,160.0076681,141.839037,152.2952599,147.1869884,159.5397058,170.3831657,174.3192839,184.917652,0,2.111111111,2.576719577,2.151234568,2.319088319,1.819444444,1.435897436,1.333333333,1,0,0.040146768,0.001937395,0.00499964,-0.029010089,-0.021443503,0.0110004,0.005508478,0.006934296,0,622.6251891,4.05E-13,229.7783436,-412.6127246,-471.9103616,54.35616731,88.94645559,200.1295251,0,1157.798126,-9.95E-14,427.2826418,-767.2709805,-877.5374687,101.0776142,165.3997323,372.1493977,0,0.121968,1.87E-15,0.045012,-0.080828,-0.092444,0.010648,0.017424,0.039204,0,5.175896322,9.94E-15,1.910152214,-3.430058277,-3.923000784,0.451863965,0.73941376,1.663680961,0,28.11555097,4.49E-14,10.37597714,-18.632131,-21.30980252,2.454532227,4.016507281,9.037141383,0,4.285714286,-1.126984127,2.47845805,-2.276643991,-3.414965986,0.56462585,0.326530612,1.306122449,0,0.001911751,9.23E-05,1.39E-04,-7.44E-04,-4.47E-04,2.82E-04,3.06E-04,7.70E-04,0,29.64881853,1.93E-14,6.382731767,-10.57981345,-9.831465867,1.39374788,4.941469755,22.2366139,0,55.13324411,-4.74E-15,11.86896227,-19.67361488,-18.2820306,2.591733697,9.188874018,41.34993308,0,0.005808,8.92E-17,0.001250333,-0.002072513,-0.001925917,2.73E-04,9.68E-04,0.004356,0,0.246471253,4.73E-16,0.053059784,-0.087950212,-0.081729183,0.011586256,0.041078542,0.18485344,0,1.33883576,2.14E-15,0.288221587,-0.477746949,-0.443954219,0.062936724,0.223139293,1.00412682,0,0.204081633,-0.053665911,0.068846057,-0.058375487,-0.071145125,0.014477586,0.01814059,0.145124717,0,0.0482578,0.072644874,-0.389092774,-0.233680895,0.14754095,0.160076587,0.403021805,0,6.50E-16,0.215277778,-0.356837607,-0.331597222,0.047008547,0.166666667,0.75,0,-8.59E-17,0.215277778,-0.356837607,-0.331597222,0.047008547,0.166666667,0.75,0,1.54E-14,0.215277778,-0.356837607,-0.331597222,0.047008547,0.166666667,0.75,0,1.92E-15,0.215277778,-0.356837607,-0.331597222,0.047008547,0.166666667,0.75,0,1.60E-15,0.215277778,-0.356837607,-0.331597222,0.047008547,0.166666667,0.75,0,-0.262962963,0.337345679,-0.286039886,-0.348611111,0.070940171,0.088888889,0.711111111,0,0.99910729,0.914416065,1.535210358,1.278402195,0.697669819,0.425229786,1.66E-08,0,1.111111111,0.810185185,1.396011396,1.255787037,0.797720798,0.648148148,0,0,1.111111111,0.810185185,1.396011396,1.255787037,0.797720798,0.648148148,0,0,1.111111111,0.810185185,1.396011396,1.255787037,0.797720798,0.648148148,0,0,1.111111111,0.810185185,1.396011396,1.255787037,0.797720798,0.648148148,0,0,1.111111111,0.810185185,1.396011396,1.255787037,0.797720798,0.648148148,0,0,1.419753086,0.547325103,1.362773029,1.328703704,0.757834758,0.777777778,0,0,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,-1.07E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,-1.07E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,-1.07E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,-1.07E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,-1.07E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,-1.07E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,32.38658668,16.15996001,22.53098671,32.33569689,3.59285521,16.15996041,-0.066666667,0.027970247,0.003107805,-3.218952539,47.3101853,5.256687255,3.471053046,0,11.85,12.15009716,-0.20845674,0.091650207,6.003955088,8.444013817,9,21,18,15,3,3,0,0,0,6,13.118484,3.833589318,3.056199074,2.831353951,2.417531953,2.136657421,1.730798785,0.76152284,0.330767393,2.008386927,1.532771074,1.41393354,1.195172722,0.897448804,0.526978276,0.020190969,0.083923071,3.843579971,3.083097614,2.86448923,2.476130793,2.198065434,1.792413519,0.873268248,0.456529511,1.978376491,1.455937329,1.322713195,1.094263321,0.801768394,0.417858969,0.10882679,0.270913902,3.889998998,3.21242987,3.024775228,2.724355126,2.448862671,2.044692629,1.326296579,0.95686777,1.89982516,1.240191848,1.059204514,0.771773068,0.495133778,0.091785634,0.593145692,0.943918427,3.851062547,3.103536082,2.889733747,2.518859121,2.242317085,1.83679047,0.954147239,0.547444914,1.960207534,1.407658425,1.264613753,1.027756549,0.739035505,0.348439505,0.199483539,0.399277246,3.914343526,3.281118172,3.109835287,2.838709742,2.559713213,2.158140105,1.516634173,1.207644823,1.877814409,1.17806021,0.982111373,0.663101833,0.388360527,0.016486101,0.780989778,1.159347194,3.838427226,3.11384971,2.939269672,2.601631839,2.318332939,1.869086755,1.026739527,0.613605714,1.964267489,1.365753417,1.19039519,0.933165298,0.658300466,0.301207513,0.268616579,0.529411765,0,0,0,3,3,3,0,0,0,0,0,0,0.068041382,0.204124145,0,0,0,0.024056261,0.072168784,0.760079655,0,0.166666667,0,0.455341801,0,0.083333333,0,1.478278096,1.558028605,2.075933094,0.790402296,0.711787657,0.838514819,6.853371151,4.198377303,3.872792013,2.860366219,1.816762979,1.33160016,0.504473335,0.068041382,0.761485683,0.466486367,0.322732668,0.220028171,0.139750998,0.095114297,0.072067619,0.068041382,6.232050808,3.238033872,2.58771324,1.662410764,0.891346035,0.562731396,0.186004234,0.024056261,0.69245009,0.359781541,0.21564277,0.127877751,0.06856508,0.0401951,0.026572033,0.024056261,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,1.77066,37.362,36.24670713,48.23696276,72.49341426,8.054823807,36.24670713,0.034470015,0.003830002,-3.030898907,80.37277837,8.930308707,3.948007987,67,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.60759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.166388889,0,0,0,0,1.166388889,0,0,0,0,0,0,0,0,6.392407407,0,0,0,0,6.502314815,0,0,0,0,4.105277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.345462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.378819444,0,0,0,0,0.378819444,0,0,0,0,0,0,0,0,2.1175,0,0,0,0,2.141203704,0,0,0,0,1.345462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.203703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0,0,0,0,0.396597222,0,0,0,0,0,0,0,0,2.141203704,0,0,0,0,2.203703704,0,0,0,0,1.384259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17,1.888888889,0.396597222,2.203703704,0.144097222,1.345462963,5.526767685,0.321203704,0.203703704,1.789444444,0.321203704,0.203703704,1.789444444,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.33333,0.33333,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.74382,0.6382,10.41343,4.66961,0.51885,2.06066,0.22896,4.19836,2.1377,0.23752,0.21564,0.02396,0.30164,0.03352,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.128085279,2.390455517,2.843301946,3.236857303,3.522571589,20.68979086,44.68979086,50.19956586,59.70934087,67.97400337,73.97400337,0.224307135,0.484501705,0.544235602,0.647335261,0.736936107,0.80198475,3.407089287,2.264232144,2.001861906,1.549015477,1.155460119,0.869745834,0.214882485,0.464144533,0.521368608,0.620136358,0.70597247,0.768287982,6.75154531,15.36999611,18.51843897,22.51058634,21.86034747,22.14829748,33.82580122,27.57483228,23.40077103,18.23182491,18.95755632,18.26553782,7.111111111,2.722222222,1.704142012,0,6,0,2.45,1.1391,0.766309432,3.479380736,4.441492163,0,1.650963624,5.853800636,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.1,0.505,0.68,4.372,12,13,13,14,7,1,0,0,0,78,2.564949357,3.157000421,3.590439381,3.986666548,4.427089623,3.944006051,2.151035195,0,0,0,5.611415875,3.493990385,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,5,0.666666667,2.5,1.333333333,0.5625,0.413333333,0,0,0,0,0,0,0.277777778,0.111111111,0.05625,0.103333333,0,0,0,0,0,0,0.548472222,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,0,133.0544855,4.169925001,3.761200116,4.532599493,5.351858133,6.146329258,6.963189986,7.764296006,8.579416535,9.382695764,10.19694044,80.67852573,2.944438979,0,4.204692619,0,5.666426688,0,7.217443432,0,8.806723555,9.038602609,120.0939004,5.718757161,17.38201719,1.931335244,0,0,0,84,10,3.258,42,1.233300178,2.143608143,3.065976102,3.792069948,4.631604102,5.883400279,6.552566751,0,0,0,94.09564805,126.607284,148.7991516,84.81547788,48.19408984,28.60812362,6.657827183,0,0,0,326.4685465,454.7269372,609.1090586,476.9160855,371.8126972,353.564087,203.6783102,0,0,0,9.031490446,15.41321615,22.1571405,26.80595817,32.05154208,40.34187849,44.02318382,0,0,0,2.376896686,3.421440939,4.796870299,4.266804385,3.765674569,3.980728577,2.913355737,0,0,0,173.0750978,321.7093214,449.068676,598.0455883,783.1178895,1023.069585,1211.685258,0,0,0,3.27231619,4.830695192,7.247086387,7.148033429,6.870405352,7.923808126,6.552566751,0,0,0,0.489174207,0.70955305,1.00146107,0.911091454,0.822064925,0.883220308,0.670982835,0,0,0,286.7017456,125.0549918,10.16448182,105.4158797,-45.98082212,-5.029564369,181.2858659,171.0358139,15.19404619,0.731162608,0.318922139,0.025922022,0.268837392,-0.117262829,-0.012826673,112.4208076,49.03626639,3.985672473,41.33542441,-18.02989078,-1.972180837,0.142807103,0.134284561,2.742173126,1.461181649,392.1176253,0,1,0,669.1530565,25.8679929,8.746651482,786.0344264,28.03630551,9.22884154,1145.15277,33.84010594,10.46215482,1.505113381,1.505113381,524.3757495,373.1769387,161.3126645,1.405166545,3.250679363,2.313376571,4.066590112,4.288153178,6.664765497,0.554227478,3.591901278,3.871162657,5.313765476,9.312772647,0.353180733,5.570287741,6.982724887,7.502513732,2.03066848,4.9821562,2.215501965,2.185137681,2.73E-05,7.61E-31,4.94E-78,6.44E-147,1.67E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,0.301552992,3.870979963,0.284910775,5.68126717,0.073074894,0.364456579,0.664797188,0.501953851,0.999313971,0.154213265,0.127311145,0.015390727,1.93E-07,5.36E-33,3.48E-80,4.54E-149,1.17E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0.973183225,3.870992572,1.025197217,6.267727015,0.127630286,0.980862862,1.953304168,1.703826651,1.159402949,0.602454007,0.449552859,0.160378346,2.01E-06,5.58E-32,3.62E-79,4.73E-148,1.22E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390468513,3.871142741,4.904650973,9.035688597,0.33510592,5.093734458,6.595550809,6.993607299,1.94968836,4.496533389,2.050871762,1.946918764,2.44E-05,6.78E-31,4.40E-78,5.74E-147,1.48E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,1.434236324,3.871008556,1.618362329,6.716278967,0.165858838,1.536496874,2.838155404,2.596302586,1.284273456,1.069676486,0.701642204,0.348361663,4.36E-06,1.21E-31,7.87E-79,1.03E-147,2.65E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.337716138,3.871246314,6.943495949,10.40087272,0.42115609,7.513983717,8.416704801,9.477982019,2.350758909,6.995997296,2.866828805,3.186815911,3.99E-05,1.11E-30,7.20E-78,9.39E-147,2.43E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,2.013498659,3.61819004,2.147023201,7.480305617,0.210014946,2.256941076,3.858667627,3.652083108,1.55922037,1.712177452,1.028112882,0.612445708,7.66E-06,2.13E-31,1.38E-78,1.81E-147,4.67E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.772263901,2.162641999,0.238916037,0.665233113,0.301463016,0.576716135,0.509850776,0.285726465,7.173821937,11.97755858,21.61716086,0.49784967,1.372293375,3.073718742,1.308343756,0.042080352,0.694760284,0.29572819,0.24028369,0.188008053,0.008863758,4.42414285,4.205879457,8.799247632,0.542140426,0.437155501,3.667884933,1.607403796,0.110952113,0.680973065,0.298427761,0.341476762,0.282881992,0.061621273,5.386240842,6.481076596,12.52146582,0.521459597,0.685980027,4.721057359,2.136909651,0.232983704,0.665786232,0.301357284,0.564453132,0.497873027,0.271713329,7.090950714,11.68626759,21.12766812,0.498679348,1.334039487,3.963911904,1.756298293,0.145257555,0.67580491,0.299430219,0.398517007,0.337266739,0.105617794,5.865467752,7.792715459,14.66943896,0.513707364,0.841401541,4.936321293,2.245078083,0.257921787,0.663544588,0.301785342,0.616892616,0.549177119,0.332993654,7.439321164,12.93466611,23.23238659,0.495316881,1.499063389,4.722938311,2.138393595,0.232683581,0.665763744,0.301436274,0.564920685,0.49859592,0.27101375,7.094015488,11.69602031,21.14002387,0.498645616,1.334530356 +UMLKV0137,L,"1,3,5-TRIMETHYLBENZENE",CC1=CC(=CC(=C1)C)C,C9H12,Aromatic (single ring),Aromatics,108-67-8,2.911356485,PubChem,,0.8449,0,2.7426,7.52185476,43.8018,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1921.920348,1661.589729,1141.170918,363.21264,36.578304,0,0,4184.657049,5188.491512,7083.005766,7253.750607,5603.328987,3442.098491,1119.0148,0,0,148.486212,153.276228,257.716848,281.393604,335.801112,213.52896,241.864704,0,0,30.43545486,38.46263172,54.17148079,58.5064293,49.45470151,33.4063293,16.00606457,0,0,3360.161029,2978.619777,5482.629357,5734.825636,7859.610331,4593.676431,6657.035473,0,0,44.33333333,54,78.33333333,90,80,60,36,0,0,62.40808843,68.74581643,53.38667633,42.60486485,23.77439412,12.107088,1.016064,0,0,199.2693833,247.0710244,196.7501602,185.9936053,116.7360206,114.7366164,31.08374443,0,0,7.070772,7.298868,7.158801333,7.215220615,6.9958565,7.117632,6.718464,0,0,1.449307374,1.831553891,1.504763355,1.500164854,1.030306281,1.11354431,0.444612905,0,0,160.0076681,141.839037,152.2952599,147.0468112,163.7418819,153.1225477,184.917652,0,0,2.111111111,2.571428571,2.175925926,2.307692308,1.666666667,2,1,0,0,0.040155602,0.002342023,0.005962364,-0.043375966,0.019847947,-0.041208049,0.03635388,0,0,622.6251891,3.91E-13,229.7783436,-533.6787336,81.53425096,-889.4645559,800.5181003,0,0,1157.798126,-1.14E-13,427.2826418,-992.3983939,151.6164213,-1653.997323,1488.597591,0,0,0.121968,1.86E-15,0.045012,-0.104544,0.015972,-0.17424,0.156816,0,0,5.175896322,9.60E-15,1.910152214,-4.436482562,0.677795947,-7.394137603,6.654723843,0,0,28.11555097,4.40E-14,10.37597714,-24.09904369,3.681798341,-40.16507281,36.14856553,0,0,4.285714286,-1.238095238,3.367346939,-5.482993197,3.06122449,-7.074829932,5.224489796,0,0,0.001912172,1.12E-04,1.66E-04,-0.001112204,4.13E-04,-0.001373602,0.00100983,0,0,29.64881853,1.86E-14,6.382731767,-13.68407009,1.698630228,-29.64881853,22.2366139,0,0,55.13324411,-5.41E-15,11.86896227,-25.44611267,3.158675444,-55.13324411,41.34993308,0,0,0.005808,8.88E-17,0.001250333,-0.002680615,3.33E-04,-0.005808,0.004356,0,0,0.246471253,4.57E-16,0.053059784,-0.113755963,0.014120749,-0.246471253,0.18485344,0,0,1.33883576,2.09E-15,0.288221587,-0.617924197,0.076704132,-1.33883576,1.00412682,0,0,0.204081633,-0.058956916,0.093537415,-0.140589569,0.06377551,-0.235827664,0.145124717,0,0,0.058323684,0.086614207,-0.581644603,0.216245713,-0.718346452,0.52810639,0,0,6.28E-16,0.215277778,-0.461538462,0.057291667,-1,0.75,0,0,-9.82E-17,0.215277778,-0.461538462,0.057291667,-1,0.75,0,0,1.53E-14,0.215277778,-0.461538462,0.057291667,-1,0.75,0,0,1.86E-15,0.215277778,-0.461538462,0.057291667,-1,0.75,0,0,1.56E-15,0.215277778,-0.461538462,0.057291667,-1,0.75,0,0,-0.288888889,0.458333333,-0.688888889,0.3125,-1.155555556,0.711111111,0,0,0.988654709,0.909607297,1.742568162,0.875330631,1.461474012,0.074226096,0,0,1.111111111,0.810185185,1.495726496,0.850694444,1.944444444,0,0,0,1.111111111,0.810185185,1.495726496,0.850694444,1.944444444,0,0,0,1.111111111,0.810185185,1.495726496,0.850694444,1.944444444,0,0,0,1.111111111,0.810185185,1.495726496,0.850694444,1.944444444,0,0,0,1.111111111,0.810185185,1.495726496,0.850694444,1.944444444,0,0,0,1.444444444,0.432098765,1.854700855,0.453703704,2.333333333,0,0,0,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,31.84632567,15.8898295,21.13524663,31.79447381,3.532719313,15.88983002,-0.066666667,3.33E-16,3.70E-17,-32.07436945,42.05922378,4.673247086,3.365170843,0,11.89,12.11013444,-0.154940595,0.065427332,6.0764172,8.135950041,9,21,18,15,3,3,0,0,0,6,13.118484,3.831659838,2.978981869,2.978981869,2.23863706,2.024738679,2.024738679,0.441365589,0.441365589,2.007621523,1.493916978,1.493916978,1.114523793,0.783323018,0.783323018,0.083923071,0.083923071,3.841767027,3.0085188,3.0085188,2.307509994,2.082600027,2.082600027,0.545672476,0.545672476,1.977512166,1.412300855,1.412300855,1.005637663,0.682662645,0.682662645,0.270913902,0.270913902,3.888629994,3.149926772,3.149926772,2.594323264,2.324156623,2.324156623,0.963720007,0.963720007,1.898531894,1.180117151,1.180117151,0.648152785,0.369849397,0.369849397,0.943918427,0.943918427,3.849331676,3.030937363,3.030937363,2.357458752,2.124567978,2.124567978,0.621114151,0.621114151,1.959268094,1.360731895,1.360731895,0.93313087,0.617333107,0.617333107,0.399277246,0.399277246,3.913152,3.224500232,3.224500232,2.723590331,2.434292052,2.434292052,1.207644823,1.207644823,1.876343207,1.11246322,1.11246322,0.52431895,0.264988018,0.264988018,1.133948601,1.133948601,3.838314638,3.055466305,3.055466305,2.442311884,2.193688616,2.193688616,0.657550841,0.657550841,1.960646187,1.3069968,1.3069968,0.839638827,0.540885432,0.540885432,0.529411765,0.529411765,0,0,0,3,3,3,0,0,0,0,0,0,0.068041382,0.204124145,0,0,0,0.024056261,0.072168784,0.866025404,0,0,0,0.5,0,0,0,1,1.995781916,1.747400241,0.5,0.913675135,0.683012702,6.853371151,4.18154055,4.022621928,2.414213562,2.349335306,0.98559856,0.696923425,0,0.761485683,0.464615617,0.335218494,0.201184464,0.156622354,0.082133213,0.077435936,0,6.232050808,3.232050808,2.665063509,1.366025404,1.202350269,0.394337567,0.269337567,0,0.69245009,0.359116756,0.222088626,0.11383545,0.080156685,0.032861464,0.029926396,0,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,1.77066,37.362,36.23240609,46.59629277,72.46481219,8.051645799,36.23240609,0,0,0,50.96615924,5.662906583,3.538045681,63,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.153333333,0,0,0,0,1.153333333,0,0,0,0,0,0,0,0,6.375,0,0,0,0,6.5625,0,0,0,0,4.0625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.354166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384444444,0,0,0,0,0.384444444,0,0,0,0,0,0,0,0,2.125,0,0,0,0,2.1875,0,0,0,0,1.354166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.1875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384444444,0,0,0,0,0.384444444,0,0,0,0,0,0,0,0,2.125,0,0,0,0,2.1875,0,0,0,0,1.354166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17,1.888888889,0.384444444,2.1875,0.15625,1.354166667,5.5286875,0.3125,0.1875,1.875,0.3125,0.1875,1.875,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.33333,0.33333,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.71523,0.63503,10.39611,4.68088,0.5201,2.05974,0.22886,4.18152,2.12178,0.23575,0.23248,0.02583,0.31848,0.03539,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.128085279,2.128085279,2.128085279,2.128085279,2.128085279,20.68979086,44.68979086,44.68979086,44.68979086,44.68979086,44.68979086,0.224307135,0.484501705,0.484501705,0.484501705,0.484501705,0.484501705,3.407089287,2.264232144,2.264232144,2.264232144,2.264232144,2.264232144,0.214882485,0.464144533,0.464144533,0.464144533,0.464144533,0.464144533,6.75154531,15.36999611,15.36999611,15.36999611,15.36999611,15.36999611,33.82580122,27.57483228,27.57483228,27.57483228,27.57483228,27.57483228,7.111111111,2.722222222,2,0,6,0,2.45,1.1391,0.75,3.571652367,4.326748711,0,1.5,6.240251469,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.1,0.505,0.68,4.372,12,12,15,12,9,0,0,0,0,78,2.564949357,3.157000421,3.548179572,4.066887716,4.342993404,4.123093976,0,0,0,0,5.606950304,3.478365385,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,4,0.333333333,3,0.666666667,0.9375,0.333333333,0,0,0,0,0,0,0.333333333,0.055555556,0.104166667,0.055555556,0,0,0,0,0,0,0.548611111,19.13022188,25.95864901,38.26044376,4.251160418,19.1302219,4.44E-16,4.93E-17,-31.81545559,34.85310704,3.872567448,3.196028059,0,133.0544855,4.169925001,3.761200116,4.510859507,5.351858133,6.11146734,6.957497371,7.719129841,8.566173814,9.328212293,10.17545936,80.48185778,2.944438979,0,4.204692619,0,5.645446898,0,7.181591945,0,8.760766624,8.995660899,120.0939004,5.718757161,17.38171618,1.931301798,0,0,0,84,9,3.258,42,1.233300178,2.143634968,3.067216359,3.776833311,5.127024075,5.718497301,0,0,0,0,94.09564805,126.6104696,139.9322291,105.4882059,62.07333166,5.810359242,0,0,0,0,326.4685465,454.7366992,592.1040208,491.8880052,588.2573945,177.7523086,0,0,0,0,9.031490446,15.41341623,22.16025386,26.56261715,36.49227062,38.41951825,0,0,0,0,2.376896686,3.421507076,4.718641822,4.22132494,5.709168486,2.542517696,0,0,0,0,173.0750978,321.7128589,449.180834,607.9603435,785.0629886,1057.451094,0,0,0,0,3.265286308,4.896798955,7.171554173,6.688641514,10.25404815,5.718497301,0,0,0,0,0.489174207,0.709566469,0.986985678,0.897048767,1.230485778,0.585574124,0,0,0,0,274.1143001,119.6860576,9.372117195,99.37773861,-43.39113188,-4.660144438,174.7365615,163.0771895,14.03226163,0.733922739,0.320451429,0.025093218,0.266077261,-0.116176859,-0.012477226,102.3795088,44.70178966,3.500411158,37.1167942,-16.20624231,-1.740526847,0.142643722,0.128028164,2.739035892,1.538051605,373.4920387,0,1,0,669.1530565,25.8679929,8.746651482,786.0344264,28.03630551,9.22884154,1134.665132,33.68479081,10.43011835,1.16066906,1.059964004,538.2183018,282.8358901,265.4963621,1.902934955,2.027215354,1.065309851,4.23758103,4.355172234,6.54925274,0.50378731,3.591901278,3.871162657,3.71050078,8.942055074,0.172544558,6.025544479,6.741029973,3.856699808,8.593259789,3.704356744,5.455509777,2.556234124,1.50E-09,5.54E-40,3.94E-92,5.41E-166,1.43E-261,0,0,0,0,0,0,0,0,0,0,0,0,0,0.301552992,3.870979963,0.274666938,5.369459264,0.014936667,0.296763751,0.643055458,0.280006755,2.345294522,0.151412689,0.044659248,0.018003766,1.06E-11,3.90E-42,2.77E-94,3.81E-168,1.01E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,0.973183225,3.870992572,0.91021939,5.961449222,0.047105475,0.769769305,1.884627296,0.931978508,3.435930635,0.593856828,0.416424133,0.187613122,1.10E-10,4.06E-41,2.89E-93,3.97E-167,1.05E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390468513,3.871142741,3.47689266,8.67478775,0.162895094,5.428483271,6.366600292,3.610105358,8.145420685,3.386807209,4.865054605,2.277558583,1.34E-09,4.93E-40,3.51E-92,4.82E-166,1.28E-261,0,0,0,0,0,0,0,0,0,0,0,0,0,1.434236324,3.871008556,1.36603603,6.40858503,0.069189042,1.301236704,2.737864155,1.402728426,4.239461407,0.981546319,0.889184373,0.407520771,2.39E-10,8.83E-41,6.28E-93,8.62E-167,2.28E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,4.337716138,3.871246314,4.601866512,9.986756879,0.208273113,8.515904588,8.128641743,4.801101969,10.32559865,4.993688609,7.936009344,3.72802723,2.19E-09,8.07E-40,5.75E-92,7.89E-166,2.09E-261,0,0,0,0,0,0,0,0,0,0,0,0,0,2.013498025,3.616537559,1.643321722,7.497545882,0.096902338,2.020948544,3.200401487,1.753694292,5.49480314,1.495126495,1.55178584,0.716453163,4.21E-10,1.55E-40,1.10E-92,1.52E-166,4.01E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,3.679997233,3.47222726,0.238917897,0.497892888,0.469782217,0.536899752,0.515760681,0.285728349,7.391142389,14.48658114,24.93056546,0.451512658,1.338388783,2.312861851,2.168451909,0.042080398,0.511311146,0.479386017,0.212133953,0.201296399,0.008863711,4.523394158,5.203905164,9.938346394,0.486045745,0.422294063,2.791198338,2.624652788,0.110952785,0.505029377,0.474895225,0.308917614,0.294817858,0.061621511,5.526803911,7.926830268,14.26646613,0.469886904,0.665356982,3.63879206,3.43293517,0.232985508,0.498143074,0.469961694,0.524946495,0.504162027,0.271715105,7.304712738,14.1393472,24.35445369,0.452157152,1.300823626,3.029468599,2.851881321,0.145258544,0.502682166,0.473214966,0.363893495,0.348031781,0.105618333,6.026608464,9.494001234,16.77559775,0.463845699,0.817543609,3.812009072,3.598109055,0.257923825,0.497129397,0.469234399,0.576101298,0.55380761,0.332995904,7.668041953,15.62727037,26.8330018,0.449545694,1.462904812,3.64022838,3.434249532,0.232685385,0.498172578,0.469983959,0.525360424,0.504546525,0.271015541,7.307163297,14.14758023,24.36364884,0.452234805,1.30092249 +UMLKV0138,L,N-BUTYLBENZENE,CCCCC1=CC=CC=C1,C10H14,Aromatic (single ring),Aromatics,104-51-8,3.030353269,PubChem,,0.9433,0,0.7455,0.55577025,46.323,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,1895.678915,1643.557617,1174.44399,955.505213,648.773499,289.634857,56.556864,4670.34144,5841.481647,7713.603795,7469.048158,5854.287603,4680.183514,3531.910628,2058.624615,707.6164209,169.463656,175.052008,301.19726,380.97306,336.998616,273.31538,210.805932,166.456036,82.21824,34.11358067,43.47862034,61.18418518,63.16882866,51.46149573,41.10210406,31.74308232,20.37324227,8.011080479,3856.790689,3411.659229,6332.307522,8603.975729,7764.225018,6348.860072,4832.6429,4030.154205,2091.831407,47.52777778,57.66666667,85.58333333,95,79.83333333,65.5,53.5,37.5,16,60.70275442,67.17251842,45.13521226,30.43625217,24.46758312,24.50013367,21.6257833,12.06811904,4.713072,194.59756,243.3950686,183.6572332,138.3157066,121.9643251,120.0047055,117.7303543,85.77602562,58.96803508,7.060985667,7.293833667,7.171363333,7.055056667,7.0208045,7.008086667,7.0268644,6.935668167,6.85152,1.421399194,1.811609181,1.456766314,1.169793123,1.072114494,1.053900104,1.058102744,0.848885095,0.66759004,160.6996121,142.1524679,150.7692267,159.3328839,161.7546879,162.7912839,161.0880967,167.9230919,174.3192839,1.980324074,2.402777778,2.037698413,1.759259259,1.663194444,1.679487179,1.783333333,1.5625,1.333333333,0.056537236,-0.001083464,-0.021760538,-0.011914902,-0.002337638,0.009316995,-0.00738639,-8.34E-04,0.00347394,706.2183858,-4.97E-14,-156.3769283,-45.39975338,-80.71067267,12.6110426,-166.4657624,-30.26650225,50.44417042,1313.243245,2.42E-13,-290.7895757,-84.42278004,-150.0849423,23.45077223,-309.5501935,-56.28185336,93.80308893,0.138343333,2.24E-15,-0.030633167,-0.0088935,-0.015810667,0.002470417,-0.0326095,-0.005929,0.009881667,5.870808328,1.36E-14,-1.299964701,-0.377409107,-0.670949523,0.104835863,-1.383833392,-0.251606071,0.419343452,31.89032402,-1.08E-13,-7.061428889,-2.050092258,-3.644608459,0.569470072,-7.517004947,-1.366728172,2.277880287,4.415509259,0.258101852,-0.026909722,-0.327256944,-1.030092593,0.189380787,-1.172164352,-0.474537037,0.028356481,0.002355718,-4.51E-05,-5.18E-04,-2.21E-04,-4.87E-05,2.39E-04,-2.46E-04,-3.47E-05,2.89E-04,29.42576608,-2.07E-15,-3.723260197,-0.840736174,-1.681472347,0.323360067,-5.548858746,-1.26110426,4.203680868,54.71846854,1.01E-14,-6.923561326,-1.563384816,-3.126769631,0.601301852,-10.31833978,-2.345077223,7.816924078,0.005764306,9.32E-17,-7.29E-04,-1.65E-04,-3.29E-04,6.33E-05,-0.001086983,-2.47E-04,8.23E-04,0.244617014,5.67E-16,-0.030951541,-0.006989058,-0.013978115,0.002688099,-0.04612778,-0.010483586,0.034945288,1.328763501,-4.50E-15,-0.168129259,-0.037964671,-0.075929343,0.014601797,-0.250566832,-0.056947007,0.189823357,0.183979552,0.010754244,-6.41E-04,-0.006060314,-0.021460262,0.004855918,-0.039072145,-0.019772377,0.00236304,-0.019163723,-0.219936344,-0.093664148,-0.020673435,0.101411664,-0.104517172,-0.014747839,0.122890324,-7.04E-17,-0.126530612,-0.028571429,-0.057142857,0.010989011,-0.188571429,-0.042857143,0.142857143,1.84E-16,-0.126530612,-0.028571429,-0.057142857,0.010989011,-0.188571429,-0.042857143,0.142857143,1.62E-14,-0.126530612,-0.028571429,-0.057142857,0.010989011,-0.188571429,-0.042857143,0.142857143,2.32E-15,-0.126530612,-0.028571429,-0.057142857,0.010989011,-0.188571429,-0.042857143,0.142857143,-3.38E-15,-0.126530612,-0.028571429,-0.057142857,0.010989011,-0.188571429,-0.042857143,0.142857143,0.058453473,-0.003482494,-0.032940149,-0.116644823,0.02639379,-0.212372215,-0.107470511,0.012844037,1.11295963,1.158972095,0.980141584,0.927112102,0.844491744,1.156886063,1.025556928,0.834187917,1.15,1.173469388,0.985714286,0.985714286,0.90989011,1.117142857,0.903571429,0.657142857,1.15,1.173469388,0.985714286,0.985714286,0.90989011,1.117142857,0.903571429,0.657142857,1.15,1.173469388,0.985714286,0.985714286,0.90989011,1.117142857,0.903571429,0.657142857,1.15,1.173469388,0.985714286,0.985714286,0.90989011,1.117142857,0.903571429,0.657142857,1.15,1.173469388,0.985714286,0.985714286,0.90989011,1.117142857,0.903571429,0.657142857,1.085190039,0.962890844,0.936478812,1.00078637,0.89041234,1.302228047,1.11231979,0.868152031,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,57.26513058,28.25463308,46.2009397,57.19579725,5.719579725,28.25463308,-0.173333333,0.450610852,0.045061085,-0.797151169,80.75064815,8.075064815,4.391365989,0,11.85,12.1501118,-0.210044168,0.090088222,5.207143774,8.601194161,10,24,21,18,4,3,0,0,0,6,15.304898,3.784364516,3.312688401,2.83232124,2.619181914,2.346140264,1.742618974,1.239038839,0.941428501,1.99069284,1.771563753,1.394274641,1.082250302,1.002126503,0.761949393,0.56588451,0.310513972,3.796666404,3.344032745,2.866363615,2.645815032,2.392041045,1.824240739,1.353628363,1.053336623,1.956282132,1.706284368,1.30894997,1.007167592,0.907101456,0.638963584,0.413706806,0.150156259,3.852871796,3.481937591,3.025869471,2.771820215,2.589553982,2.163417764,1.810352352,1.517793787,1.864580578,1.509374337,1.059237931,0.798620231,0.628239066,0.226572726,0.107555542,0.396843083,3.80583111,3.367146821,2.892024727,2.665925019,2.425626214,1.883475757,1.43557583,1.134811365,1.93532215,1.664191716,1.254445418,0.960278991,0.846765677,0.556404819,0.310901952,0.041902902,3.881770447,3.548754759,3.107887283,2.838078588,2.683638968,2.31466653,2.00573419,1.721464227,1.838264548,1.447043516,0.984138956,0.738564276,0.540146324,0.080971679,0.298059637,0.594311107,3.859363052,3.327500427,2.91562892,2.775160709,2.470270584,1.919815676,1.489213202,1.268619127,1.9107639,1.655585484,1.211380533,0.841987852,0.777206439,0.475473054,0.223638393,0.100960309,0,0,0,5,1,1,3,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.612372436,0.679412342,0.219416097,0.27300174,0.273244345,7.234204519,4.931851653,3.64626437,2.690670698,1.968614081,1.513420006,0.637136847,0.348461713,0.723420452,0.493185165,0.331478579,0.224222558,0.151431852,0.108101429,0.079642106,0.058076952,6.50807169,3.971343774,2.58915195,1.661829883,1.025578078,0.68921783,0.286808989,0.139400107,0.650807169,0.397134377,0.23537745,0.138485824,0.078890621,0.049229845,0.035851124,0.023233351,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,3.0292,45.054,44.38801919,65.39551953,88.77603837,8.877603837,44.38801919,0.155799856,0.015579986,-1.859183073,41.5279113,4.15279113,3.726365763,107,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,4,0,0,5,0,0,0,0,0,0,0,0,1,0,3,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.11191704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.02800985,0,1.137892928,0,0,2.02800985,0,0,0,0,0,0,0,0,2.225138889,0,3.829610733,0,0,10.64955593,0,0,0,0,1.462361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.462361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.389652778,0,0.237999221,0,0,0.389652778,0,0,0,0,0,0,0,0,2.225138889,0,1.233472222,0,0,2.064926304,0,0,0,0,1.462361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.190138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.424047265,0,0.359305556,0,0,0.424047265,0,0,0,0,0,0,0,0,2.225138889,0,1.309537037,0,0,2.190138889,0,0,0,0,1.462361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.16666667,1.816666667,0.424047265,2.225138889,0.134097222,1.233472222,6.28382182,0.266527778,0.225138889,1.749389645,0.266527778,0.225138889,1.749389645,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.1,0.1,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.36978,0.63698,10.92787,4.55808,0.45581,2.94966,0.29497,4.93185,1.98218,0.19822,-0.01785,-0.00178,0.06815,0.00682,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.345437252,3.204986856,3.772055209,3.970175521,3.970175521,23.51685016,56.29049406,76.91968454,90.52932501,95.28421252,95.28421252,0.213713581,0.511549931,0.699021389,0.822701431,0.865912321,0.865912321,3.605093744,2.239525248,1.379975645,0.812907292,0.614786979,0.614786979,0.206076118,0.493268716,0.674040522,0.793300621,0.834967288,0.834967288,6.772325919,17.12993833,21.13574077,23.88501959,24.0846902,24.0846902,37.92632204,28.30072848,21.86929522,17.3948625,16.84298282,16.84298282,8.1,4.760330579,3.111111111,4,6,4,2.56,1.28,0,2.142414564,0.25,0,11.46750113,4.68730728,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,4.917,11,12,13,14,8,6,4,2,0,90,2.63905733,3.020424886,3.425889994,3.842136878,4.261799208,3.626006212,3.49839971,3.270044111,2.784239339,0,5.696883733,3.299305556,0.428571429,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.3,4,0.4,0,4,7,0.75,1,0.444444444,0.1875,0.151111111,0.090277778,0.060408163,0.027777778,0,0,0,0.1,0.04040404,0.020833333,0.025185185,0.018055556,0.020136054,0.027777778,0,0,0,0.252391947,27.56160995,42.5576848,55.12321989,5.512321989,27.56160995,0.162869141,0.016286914,-1.814808216,52.10125507,5.210125507,3.953189038,0,150.3504702,4.321928095,3.761200116,4.48863637,5.241747015,5.993961427,6.758094504,7.518064181,8.285765421,9.048409505,9.817439348,80.91331789,3.044522438,0,4.17438727,0,5.517452896,0,6.955592608,0,8.438366411,8.701346403,134.1095504,5.587897935,19.70454557,1.970454557,0,0,0,133,9,4.076,42,1.236512656,2.16566162,2.945182849,3.752934256,4.767487734,5.70139675,6.658625651,7.775499893,8.599688969,0,92.91185031,106.3617955,98.23942158,106.5508694,131.8079791,138.0204277,86.57532591,36.67440266,8.737834373,0,323.9803594,420.6911052,432.6005465,502.6319918,614.8636585,717.4181332,599.5062014,458.7164725,267.3105341,0,9.050443239,15.57610368,20.83834816,26.46188586,33.50739295,40.18431718,46.28900726,53.27499758,57.77670075,0,2.364973853,3.289913955,3.601334769,4.306348404,5.284995284,6.327195255,5.857758582,5.192529726,3.823532693,0,173.8105839,323.3515289,464.9155743,598.7398684,769.1777534,909.4526376,1109.813217,1355.339557,1590.234292,0,3.059063459,4.534347582,5.320605167,6.498488625,8.262315242,10.50381416,10.68101121,10.36984981,8.599688969,0,0.486961494,0.686538141,0.760893556,0.914382427,1.123512383,1.349201219,1.271076539,1.153193737,0.88060815,0,299.8422422,164.051516,12.10474298,83.62196423,-45.75175899,-4.96214732,216.220278,209.803275,17.0668903,0.781930196,0.427814417,0.031566813,0.218069804,-0.119311681,-0.012940314,114.9787675,62.9078844,4.641735662,32.06603016,-17.54416195,-1.902805884,0.11337201,0.119290386,2.761331203,1.144214144,383.4642065,0,1,0,726.8842238,26.96079049,8.991284665,863.5642905,29.38646441,9.522805011,1209.714033,34.78094353,10.65518283,2.155863452,2.056590322,906.0635104,849.0992892,133.2421099,1.067087821,6.800128814,6.372604653,4.682917228,5.282500282,9.005334831,0.704748575,4.313019043,4.718391434,4.073719855,16.80382595,5.675890491,4.386203333,4.295354568,11.04892899,6.708138006,2.253333605,4.956034934,3.103237048,2.344910266,3.311506518,2.735291752,0.12706343,1.99694085,3.97E-11,1.58E-43,1.25E-97,1.96E-173,6.07E-271,0,0,0,0,0,0,0,0,0.362071409,4.718203773,0.321297953,5.140880753,0.974457577,1.167381582,0.442189248,1.624103257,1.516130279,0.466716066,1.336112737,0.870591671,1.007443431,0.207141069,0.171716765,0.004542459,0.014064618,2.80E-13,1.11E-45,8.81E-100,1.38E-175,4.27E-273,0,0,0,0,0,0,0,0,1.168544053,4.718216744,1.050109271,6.088717852,1.382411918,1.575851612,1.167889273,2.920315765,2.331957044,0.759220074,1.921508578,1.171657439,1.153490169,0.678300196,0.592433308,0.018696975,0.14656416,2.92E-12,1.16E-44,9.18E-99,1.44E-174,4.45E-272,0,0,0,0,0,0,0,0,4.07114486,4.718370983,3.830861083,15.58294502,5.192895999,4.101217038,4.037952865,10.24992547,6.303977553,2.118422304,4.680120039,2.911840832,2.218117702,3.063969527,2.542067865,0.115722777,1.779238345,3.54E-11,1.41E-43,1.11E-97,1.75E-173,5.41E-271,0,0,0,0,0,0,0,0,1.722162239,4.718233171,1.56144243,7.164811825,1.826273413,1.930056125,1.684116276,3.996471068,2.964437087,0.98144745,2.368944012,1.424252817,1.291443359,1.049988168,0.91169533,0.03163657,0.318356941,6.34E-12,2.52E-44,2.00E-98,3.13E-174,9.67E-272,0,0,0,0,0,0,0,0,5.208570274,4.718477331,4.987834001,21.89972696,7.685809543,5.54121987,5.272824386,14.25936922,8.302560158,2.781843474,6.039283815,3.874016161,2.86536231,4.293300112,3.491910207,0.173412805,2.912350554,5.80E-11,2.31E-43,1.83E-97,2.86E-173,8.85E-271,0,0,0,0,0,0,0,0,2.360270699,3.903198195,2.188889187,8.169371273,2.369025778,2.399027317,2.334252143,5.199080202,3.817638826,1.236995723,2.937549482,1.892827422,1.720305088,1.542113335,1.42966056,0.052876773,0.605082658,1.20E-11,4.79E-44,3.79E-98,5.95E-174,1.84E-271,0,0,0,0,0,0,0,0,7.338824502,1.3021147,0.628376278,0.791733167,0.140475821,0.56273327,0.406320533,0.358775434,9.269315479,14.98575247,30.25982617,0.687599751,1.327829237,6.316060999,0.70912196,0.285260366,0.863977835,0.097001225,0.416959952,0.121063333,0.074103684,7.310443325,6.482863817,15.07094769,0.795966753,0.612126968,6.679265393,0.919787576,0.407140703,0.834262281,0.114884502,0.466225371,0.203307865,0.150796945,8.006193671,9.23738909,19.74485384,0.751393421,0.820330182,7.308677453,1.284645654,0.618266188,0.793421984,0.139459719,0.558123876,0.395538583,0.347338117,9.211589296,14.70202185,29.71854993,0.690132976,1.301000576,6.858010555,1.023429983,0.467107496,0.821461472,0.122587782,0.491482014,0.251505795,0.198411375,8.348548034,10.70017358,22.32720601,0.732192208,0.941399184,7.435131557,1.357916974,0.660672533,0.786476722,0.143638358,0.577585588,0.441725458,0.396551605,9.453721064,15.90561699,32.02968043,0.679715084,1.415862651,7.327320093,1.287290407,0.617878745,0.793645126,0.13943048,0.560973763,0.397074103,0.346858202,9.232489245,14.75517359,29.81573543,0.690467689,1.304906068 +UMLKV0139,L,ISOBUTYLBENZENE,CC(C)CC1=CC=CC=C1,C10H14,Aromatic (single ring),Aromatics,538-93-2,3.022136735,PubChem,,0.9882,0,2.1019,4.41798361,48.7581,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2016.744924,1710.103761,1293.563551,1007.912141,522.71285,110.065536,6.096384,4670.34144,5841.481647,7938.731209,7970.965389,6275.515845,5005.196641,3409.632809,1321.981609,186.5024666,169.463656,175.052008,301.220976,383.368068,397.08934,255.155828,250.693832,144.281088,40.310784,34.11358067,43.47862034,62.19060946,67.18241709,55.80050475,43.11292237,32.73540406,14.68832224,2.667677429,3856.790689,3411.659229,6337.774435,8413.205104,9465.745903,5635.131594,5968.477003,3628.909858,1109.505912,48.80555556,58.83333333,86.72222222,102.3333333,90.66666667,70.83333333,59.33333333,29,6,60.70275442,67.17251842,48.01773629,31.66858817,22.69409739,27.99755947,14.51980139,5.241216,1.016064,194.59756,243.3950686,189.0174097,147.6104702,110.0967692,139.03324,94.71202247,62.95150517,31.08374443,7.060985667,7.293833667,7.171928,7.099408667,6.966479649,7.087661889,6.963717556,6.870528,6.718464,1.421399194,1.811609181,1.480728797,1.244118835,0.978956224,1.197581177,0.909316779,0.699443916,0.444612905,160.6996121,142.1524679,150.8993913,155.8000945,166.0657176,156.5314332,165.7910279,172.8052313,184.917652,2.033564815,2.451388889,2.064814815,1.895061728,1.590643275,1.967592593,1.648148148,1.380952381,1,0.055969628,-0.002325399,-0.015537944,-0.022174919,0.014215111,-0.009076265,-0.004455644,0.002757718,0.008612528,706.2183858,-6.39E-14,-35.31091929,-348.0647759,279.9651458,-302.6650225,-110.9771749,37.83312781,126.110426,1313.243245,2.13E-13,-65.66216225,-647.2413136,520.6071436,-562.8185336,-206.3667957,70.3523167,234.5077223,0.138343333,2.24E-15,-0.006917167,-0.0681835,0.05484325,-0.05929,-0.021739667,0.00741125,0.024704167,5.870808328,1.36E-14,-0.293540416,-2.893469819,2.327356159,-2.516060712,-0.922555594,0.314507589,1.04835863,31.89032402,-1.08E-13,-1.594516201,-15.71737398,12.64223559,-13.66728172,-5.011336631,1.708410215,5.694700717,4.795138889,-0.524305556,1.014756944,-2.671006944,2.22265625,-1.953125,-1.039930556,-0.19921875,0.752604167,0.002332068,-9.69E-05,-3.70E-04,-4.11E-04,2.49E-04,-2.52E-04,-1.24E-04,1.31E-04,0.001435421,29.42576608,-2.66E-15,-0.840736174,-6.445643998,4.911669225,-8.407361736,-3.082699303,1.801577515,21.01840434,54.71846854,8.88E-15,-1.563384816,-11.98595025,9.133458659,-15.63384816,-5.73241099,3.350110319,39.08462039,0.005764306,9.32E-17,-1.65E-04,-0.001262657,9.62E-04,-0.001646944,-6.04E-04,3.53E-04,0.004117361,0.244617014,5.67E-16,-0.006989058,-0.053582774,0.04083081,-0.069890575,-0.025626544,0.014976552,0.174726438,1.328763501,-4.50E-15,-0.037964671,-0.291062481,0.221793607,-0.379646714,-0.139203795,0.081352867,0.949116786,0.199797454,-0.021846065,0.02416088,-0.049463092,0.038993969,-0.054253472,-0.02888696,-0.009486607,0.125434028,-0.041547521,-0.158636483,-0.17608692,0.106938532,-0.10810941,-0.053072163,0.056310503,0.615514368,-9.06E-17,-0.028571429,-0.219047619,0.166917293,-0.285714286,-0.104761905,0.06122449,0.714285714,1.62E-16,-0.028571429,-0.219047619,0.166917293,-0.285714286,-0.104761905,0.06122449,0.714285714,1.62E-14,-0.028571429,-0.219047619,0.166917293,-0.285714286,-0.104761905,0.06122449,0.714285714,2.32E-15,-0.028571429,-0.219047619,0.166917293,-0.285714286,-0.104761905,0.06122449,0.714285714,-3.38E-15,-0.028571429,-0.219047619,0.166917293,-0.285714286,-0.104761905,0.06122449,0.714285714,-0.109341057,0.120926865,-0.247566176,0.195167499,-0.271542361,-0.144581221,-0.047481121,0.627805938,1.132449451,1.072368745,1.118579938,0.703183479,1.208976695,1.078929313,0.909690408,0.304806016,1.15,1.079591837,1.204761905,0.726315789,1.25952381,0.985714286,0.751020408,0,1.15,1.079591837,1.204761905,0.726315789,1.25952381,0.985714286,0.751020408,0,1.15,1.079591837,1.204761905,0.726315789,1.25952381,0.985714286,0.751020408,0,1.15,1.079591837,1.204761905,0.726315789,1.25952381,0.985714286,0.751020408,0,1.15,1.079591837,1.204761905,0.726315789,1.25952381,0.985714286,0.751020408,0,1.276852522,0.813696079,1.201598412,0.629952869,1.393434709,1.139914716,0.913623668,0,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,55.69519662,27.48193295,44.1417483,55.61286329,5.561286329,27.48193295,-0.205833333,0.393826147,0.039382615,-0.931845719,44.79299697,4.479299697,3.80205181,0,11.85,12.1501118,-0.210039885,0.090093376,5.915046875,8.758382354,10,24,21,18,4,3,0,0,0,6,15.304898,3.789006766,3.342782532,2.714137024,2.619181914,2.333552793,1.991026675,1.03455174,0.941428501,1.995474402,1.769108092,1.249629723,1.227481199,1.082250302,0.800475879,0.388803438,0.310513972,3.801300174,3.371187395,2.743216118,2.645815032,2.405454588,2.052252479,1.149393199,1.053336623,1.960998231,1.707192926,1.144381645,1.134540686,1.007167592,0.695427315,0.232322697,0.150156259,3.857488743,3.497438938,2.882184644,2.771820215,2.704236987,2.31168365,1.613351017,1.517793787,1.869199643,1.522809906,0.911976488,0.798620231,0.76031856,0.361064127,0.302656236,0.396843083,3.810459515,3.392201239,2.765246681,2.665925019,2.457539916,2.096944796,1.232027611,1.134811365,1.940003944,1.667461651,1.092229137,1.058262671,0.960278991,0.626486411,0.126668645,0.041902902,3.886396736,3.559369045,2.955930475,2.838982085,2.838078588,2.43062749,1.813415419,1.721464227,1.842881827,1.46529297,0.845311077,0.738564276,0.631337262,0.24777654,0.49737482,0.594311107,3.843075836,3.358724458,2.788464865,2.756996632,2.56382137,2.121028081,1.262297895,1.255336616,1.934162481,1.654344749,1.055177718,0.942199748,0.858459866,0.557880517,0.058638967,0.089369861,0,0,0,5,1,2,1,1,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.612372436,0,0,0,0.526099421,0,0,0,0.642228525,1.041888478,1.093412989,0.40824829,0.568203574,0.497341749,7.397341225,4.7876937,4.133584955,2.529482726,2.089508593,1.454567768,0.595522031,0.319035594,0.739734123,0.47876937,0.344465413,0.210790227,0.149250614,0.103897698,0.074440254,0.053172599,6.671208396,3.827185822,3.083569555,1.486775213,1.085497855,0.621750457,0.247856683,0.116910982,0.66712084,0.382718582,0.25696413,0.123897934,0.077535561,0.044410747,0.030982085,0.019485164,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.8851,44.984,42.8834899,62.95133481,85.7669798,8.57669798,42.8834899,0.20866802,0.020866802,-1.567010712,39.432933,3.9432933,3.67460133,92,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,4,0,0,5,0,0,0,0,0,0,0,0,2,0,1,0,0,5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.0525,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.017018141,0,1.154509637,0,0,2.017018141,0,0,0,0,0,0,0,0,4.486111111,0,1.195277778,0,0,10.61037037,0.766111111,0,0,0,1.44212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.44212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.386597222,0,0.25461593,0,0,0.386597222,0,0,0,0,0,0,0,0,2.243055556,0,1.195277778,0,0,2.059351852,0.766111111,0,0,0,1.44212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422851474,0,0.359305556,0,0,0.422851474,0,0,0,0,0,0,0,0,2.243055556,0,1.195277778,0,0,2.180555556,0.766111111,0,0,0,1.44212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.5,1.85,0.422851474,2.243055556,0.128472222,0.766111111,6.300647778,0.567222222,0.243055556,2.192962963,0.567222222,0.243055556,2.192962963,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.77025,0.67703,11.44878,4.67852,0.46785,2.8055,0.28055,4.78768,1.98218,0.19822,0.12632,0.01263,0.21232,0.02123,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.345437252,3.006866543,3.40726823,3.605388542,3.605388542,23.51685016,56.29049406,72.16479704,81.77443751,86.52932501,86.52932501,0.213713581,0.511549931,0.655810498,0.743139825,0.786350715,0.786350715,3.605093744,2.239525248,1.578095958,1.177694271,0.979573959,0.979573959,0.206076118,0.493268716,0.632373856,0.716582301,0.758248968,0.758248968,6.772325919,17.12993833,20.02005558,22.60136356,22.80103417,22.80103417,37.92632204,28.30072848,23.50450824,19.55839636,19.00651667,19.00651667,8.1,4,3.111111111,4,6,3,2.56,1.28,0.5,2.921736458,2.309401077,0,7.732315986,5.638173476,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.151,0.144,0.514,0.649,4.689,12,12,14,14,8,6,4,0,0,90,2.63905733,3.068052935,3.425889994,3.884137802,4.282724121,3.684180933,3.595598464,3.446011397,0,0,5.696883733,3.299305556,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,0,3,6,1,2,0.444444444,0.4375,0.311111111,0.118055556,0.08,0,0,0,0,0.2,0.037037037,0.048611111,0.044444444,0.023611111,0.04,0,0,0,0,0.393703704,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,0,150.3504702,4.321928095,3.80666249,4.532599493,5.323009979,6.070737728,6.865891075,7.621195163,8.416046009,9.174609562,9.968479096,81.7792306,3.044522438,0,4.234106505,0,5.609471795,0,7.067319849,0,8.564267599,8.822174761,134.1095504,5.587897935,19.53512296,1.953512296,0,0,0,126,9,4.015,44,1.236512656,2.164893139,2.972026835,3.659293596,4.56951502,5.133377958,6.110736059,6.89017668,0,0,92.91185031,113.6894188,99.73067898,92.7325331,137.5065357,80.5737165,31.89507067,7.000860479,0,0,323.9803594,435.2000833,456.3252826,432.892308,657.7118569,513.18148,383.6797834,214.172491,0,0,9.050443239,15.57807896,21.14601639,25.56987818,32.41802114,35.84784872,41.97921029,46.29140398,0,0,2.364973853,3.358778008,3.809983369,3.77263303,5.594015405,4.862277544,4.266118654,3.063461469,0,0,173.8105839,323.0764279,459.6115134,601.9717126,713.3483057,843.2648233,1056.347337,1274.115294,0,0,3.110320404,4.618841899,5.739753288,6.017712973,9.089989763,8.722258016,8.426678369,6.89017668,0,0,0.486961494,0.699385126,0.804487555,0.8047512,1.185056689,1.049443129,0.944413034,0.705554092,0,0,281.4809422,152.5063086,11.40627028,80.22550987,-43.46616247,-4.772238689,201.2554323,195.9724711,16.17850897,0.778202713,0.421630048,0.031534606,0.221797287,-0.120169718,-0.013193679,101.8134729,55.1625158,4.125721553,29.01808454,-15.72199141,-1.726149524,0.114486752,0.115112832,2.33259961,0.999159556,361.706452,0,1,0,726.8842238,26.96079049,8.991284665,863.5642905,29.38646441,9.522805011,1260.551292,35.50424329,10.80239799,1.881577856,1.881577856,684.7027254,638.0471834,158.228628,1.073122401,4.327299896,4.032438324,4.385273631,4.443441828,7.963232428,0.792131581,4.313019043,4.718376127,4.219904881,16.92688574,3.969805921,7.606660033,6.852271374,9.032516812,6.173743988,2.460685802,5.145077108,2.958414696,2.061758656,1.271597638,1.71814109,4.99E-13,2.93E-47,3.44E-103,8.03E-181,3.71E-280,0,0,0,0,0,0,0,0,0,0,0.362071409,4.718203665,0.320295109,6.364459695,1.352085774,1.915353795,0.351300988,2.554590092,0.728437032,0.182850464,1.173155587,0.327708936,0.085016641,0.06848817,0.012101008,3.52E-15,2.06E-49,2.42E-105,5.66E-183,2.61E-282,0,0,0,0,0,0,0,0,0,0,1.168544053,4.718215621,1.055616701,7.641507844,1.626550945,2.852846605,1.174909508,3.621617746,1.332154153,0.564835768,1.903723397,0.667171917,0.332438009,0.246277818,0.126101835,3.67E-14,2.15E-48,2.52E-104,5.89E-182,2.72E-281,0,0,0,0,0,0,0,0,0,0,4.07114486,4.718357344,3.959709857,15.96931176,3.71761852,7.178919274,6.276208117,8.545641913,5.66074829,2.291886512,4.87355175,2.727488689,1.885530179,1.173962054,1.530832778,4.45E-13,2.61E-47,3.06E-103,7.16E-181,3.30E-280,0,0,0,0,0,0,0,0,0,0,1.722162239,4.71823073,1.578406665,8.779145213,1.892122666,3.562982814,1.889754324,4.42988936,1.89735924,0.851692051,2.429044194,0.958850433,0.54862657,0.388453283,0.273910037,7.96E-14,4.67E-48,5.48E-104,1.28E-181,5.91E-281,0,0,0,0,0,0,0,0,0,0,5.208570274,4.718455007,5.207660369,20.82541137,5.007924748,9.28045692,9.187369097,10.93772527,8.277101509,3.119000411,6.182622083,3.892768808,2.776944448,1.660328114,2.505747306,7.28E-13,4.27E-47,5.01E-103,1.17E-180,5.40E-280,0,0,0,0,0,0,0,0,0,0,2.384635892,3.717617015,2.114971537,9.693640947,1.941373299,4.451261201,2.872713161,5.416432489,2.497737768,1.111302522,3.168745491,1.427204365,0.870332758,0.597794022,0.502013467,1.46E-13,8.55E-48,1.00E-103,2.35E-181,1.08E-280,0,0,0,0,0,0,0,0,0,0,5.376272826,1.388346215,0.815192893,0.709288419,0.183163676,0.523255776,0.467385863,0.349228402,7.579811935,12.9785974,26.64311345,0.563932629,1.339870041,4.521775699,0.765469119,0.41851386,0.792493331,0.134157289,0.372708675,0.143888474,0.0939162,5.705758678,5.674064896,12.82841708,0.688739996,0.610513349,4.824583392,0.986749627,0.56005011,0.757227009,0.154872122,0.423069918,0.237802631,0.166884015,6.371383129,8.01529356,17.05288253,0.635840514,0.827756564,5.351010315,1.369996933,0.80357804,0.711136908,0.182069427,0.518429292,0.455241907,0.339530973,7.524585287,12.73172155,26.14723115,0.566705362,1.313202172,4.973877438,1.095616111,0.629420045,0.742490162,0.163551313,0.449104426,0.292525601,0.210050152,6.698913594,9.269721159,19.39863427,0.613735243,0.95168018,5.457003209,1.446960056,0.852269518,0.703563619,0.186554491,0.53883371,0.507234735,0.38106449,7.756232783,13.78010311,28.26591197,0.555345429,1.427132935,5.362975835,1.372072858,0.80293302,0.711460446,0.182021251,0.52077895,0.456634472,0.338951839,7.537981713,12.76618657,26.21246546,0.56719067,1.316365261 +UMLKV0140,L,SEC-BUTYLBENZENE,CCC(C)C1=CC=CC=C1,C10H14,Aromatic (single ring),Aromatics,135-98-8,3.021752835,PubChem,,0.9502,0,1.1045,1.21992025,47.0813,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2016.744924,1941.144755,1412.516623,890.996068,343.143529,59.605056,3.048192,4670.34144,5841.481647,7938.731209,8337.567344,7102.446203,5162.672522,2672.989803,800.8676542,93.25123329,169.463656,175.052008,301.220976,383.016332,381.324796,355.509904,228.518884,102.373632,20.155392,34.11358067,43.47862034,62.19060946,68.52633425,61.82491149,48.10676025,27.05048403,9.344919193,1.333838715,3856.790689,3411.659229,6337.774435,8455.934033,8561.2468,8435.224566,5567.232656,2646.584363,554.7529561,48.80555556,58.88888889,86.16666667,101.8333333,100,84.33333333,50.5,19,3,60.70275442,67.17251842,48.01773629,35.94712509,26.15771524,17.47051114,10.39828876,3.9736704,1.016064,194.59756,243.3950686,189.0174097,154.3993953,131.5267815,101.228873,80.99969099,53.39117695,31.08374443,7.060985667,7.293833667,7.171928,7.092895037,7.061570296,6.970782431,6.924814667,6.8249088,6.718464,1.421399194,1.811609181,1.480728797,1.26900619,1.144905768,0.943269809,0.819711637,0.622994613,0.444612905,160.6996121,142.1524679,150.8993913,156.591371,158.5416074,165.3965601,168.7040199,176.4389575,184.917652,2.033564815,2.453703704,2.051587302,1.885802469,1.851851852,1.653594771,1.53030303,1.266666667,1,0.055581834,-0.00450474,-0.015137878,-0.002509593,-0.015954422,-0.001129692,-7.58E-04,0.007943012,0.00426043,706.2183858,-6.39E-14,-35.31091929,-55.48858746,-337.9759418,-58.01079598,-42.87754485,113.4993834,63.05521302,1313.243245,2.13E-13,-65.66216225,-103.1833978,-628.4806959,-107.8735523,-79.73262559,211.0569501,117.2538612,0.138343333,2.24E-15,-0.006917167,-0.010869833,-0.066207167,-0.011363917,-0.008399417,0.02223375,0.012352083,5.870808328,1.36E-14,-0.293540416,-0.461277797,-2.809601129,-0.48224497,-0.356441934,0.943522767,0.524179315,31.89032402,-1.08E-13,-1.594516201,-2.505668316,-15.26179792,-2.61956233,-1.936198244,5.125230645,2.847350359,4.795138889,-0.46875,0.233506944,0.665798611,-2.296006944,-0.668836806,-0.704427083,0.46484375,0.376302083,0.00231591,-1.88E-04,-3.60E-04,-4.65E-05,-2.95E-04,-2.22E-05,-2.30E-05,5.30E-04,0.001420143,29.42576608,-2.66E-15,-0.840736174,-1.027566434,-6.258813737,-1.137466588,-1.299319541,7.566625563,21.01840434,54.71846854,8.88E-15,-1.563384816,-1.910803663,-11.6385314,-2.115167692,-2.416140169,14.07046334,39.08462039,0.005764306,9.32E-17,-1.65E-04,-2.01E-04,-0.001226059,-2.23E-04,-2.55E-04,0.00148225,0.004117361,0.244617014,5.67E-16,-0.006989058,-0.008542181,-0.052029651,-0.009455784,-0.010801271,0.062901518,0.174726438,1.328763501,-4.50E-15,-0.037964671,-0.046401265,-0.282625887,-0.051363967,-0.058672674,0.341682043,0.949116786,0.199797454,-0.01953125,0.005559689,0.012329604,-0.042518647,-0.013114447,-0.021346275,0.030989583,0.125434028,-0.081046983,-0.155630267,-0.020067249,-0.127575028,-0.009564636,-0.009918669,0.228650587,0.613211824,-9.06E-17,-0.028571429,-0.034920635,-0.212698413,-0.038655462,-0.044155844,0.257142857,0.714285714,1.62E-16,-0.028571429,-0.034920635,-0.212698413,-0.038655462,-0.044155844,0.257142857,0.714285714,1.62E-14,-0.028571429,-0.034920635,-0.212698413,-0.038655462,-0.044155844,0.257142857,0.714285714,2.32E-15,-0.028571429,-0.034920635,-0.212698413,-0.038655462,-0.044155844,0.257142857,0.714285714,-3.38E-15,-0.028571429,-0.034920635,-0.212698413,-0.038655462,-0.044155844,0.257142857,0.714285714,-0.09775525,0.027826627,0.061710516,-0.212808754,-0.06563871,-0.106839576,0.155104996,0.627805938,1.173200921,1.049672908,0.945006845,1.097084388,0.938267977,1.019858679,0.736288102,0.310888129,1.15,1.079591837,1.022222222,1.168253968,0.927731092,0.896103896,0.525714286,0,1.15,1.079591837,1.022222222,1.168253968,0.927731092,0.896103896,0.525714286,0,1.15,1.079591837,1.022222222,1.168253968,0.927731092,0.896103896,0.525714286,0,1.15,1.079591837,1.022222222,1.168253968,0.927731092,0.896103896,0.525714286,0,1.15,1.079591837,1.022222222,1.168253968,0.927731092,0.896103896,0.525714286,0,1.265749457,0.904106755,0.845066645,1.218869847,1.028013233,1.035613192,0.639536568,0,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,53.47018582,26.36974711,40.8158777,53.38785249,5.338785249,26.36974711,-0.205833333,0.40961866,0.040961866,-0.89252865,40.7712947,4.07712947,3.707978272,0,11.85,12.1501118,-0.209912607,0.090223817,5.601666108,9.072760389,10,24,21,18,4,3,0,0,0,6,15.304898,3.800553388,3.300106495,2.740218449,2.619181914,2.444398039,1.804739059,1.163709156,0.941428501,2.001824673,1.732960006,1.42816176,1.082250302,1.013929276,0.832448724,0.433950696,0.310513972,3.812484671,3.328394347,2.785434122,2.645815032,2.484334788,1.888110927,1.267709641,1.053336623,1.968123094,1.669338321,1.331598489,1.007167592,0.927631179,0.71011407,0.283171921,0.150156259,3.867115504,3.45536442,2.992419406,2.771820215,2.652140743,2.231870042,1.695660318,1.517793787,1.878521577,1.481081079,1.034252875,0.798620231,0.68494011,0.295587422,0.225606429,0.396843083,3.821379157,3.349394459,2.819379244,2.665925019,2.513196408,1.948416887,1.343018712,1.134811365,1.947607648,1.628606968,1.26876728,0.960278991,0.873919006,0.627461673,0.181813002,0.041902902,3.89528271,3.518232671,3.094272604,2.838078588,2.732168434,2.384378828,1.883760183,1.721464227,1.852898206,1.422866863,0.939332824,0.738564276,0.610366649,0.148591038,0.407574243,0.594311107,3.847762949,3.320838122,2.870322016,2.756996632,2.577474451,1.985955602,1.374562599,1.255336616,1.947732517,1.609247132,1.193106268,0.858459866,0.802501385,0.557014447,0.113589126,0.089369861,0,0,0,5,1,2,1,1,0,0,0,0,0.102062073,0.058925565,0,0,0,0.032075015,0.018518519,0.402368927,0,0.11785113,0,0.30034919,0,0.068041382,0,1.089255651,1.339255651,1.373773448,0.715203943,0.725729982,0.623411431,7.397341225,4.842535255,3.783622271,3.098518319,2.036535719,1.41711029,0.569035594,0.319035594,0.739734123,0.484253526,0.315301856,0.221322737,0.145466837,0.101222164,0.071129449,0.053172599,6.671208396,3.892064078,2.719979463,1.980980521,1.017274032,0.582361414,0.225115408,0.108587098,0.66712084,0.389206408,0.226664955,0.141498609,0.072662431,0.041597244,0.028139426,0.01809785,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,3.2001,45.148,41.88157561,60.63834098,83.76315123,8.376315123,41.88157561,0.23147766,0.023147766,-1.463271913,38.30092131,3.830092131,3.645473951,90,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,4,0,0,5,0,0,0,0,0,0,0,0,2,0,1,0,0,5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.08518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.997814626,0,1.18586593,0,0,1.997814626,0,0,0,0,0,0,0,0,4.479166667,0,1.226203704,0,0,10.63611111,0.709444444,0,0,0,1.449074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.449074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.25461593,0,0,0.380972222,0,0,0,0,0,0,0,0,2.219907407,0,1.226203704,0,0,2.061388889,0.709444444,0,0,0,1.449074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.188657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.42100907,0,0.359305556,0,0,0.42100907,0,0,0,0,0,0,0,0,2.259259259,0,1.226203704,0,0,2.188657407,0.709444444,0,0,0,1.449074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.5,1.85,0.42100907,2.259259259,0.116319444,0.709444444,6.297556111,0.623888889,0.259259259,2.230555556,0.623888889,0.259259259,2.230555556,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.80028,0.68003,11.56742,4.76714,0.47671,2.88621,0.28862,4.84252,1.95631,0.19563,0.07148,0.00715,0.15748,0.01575,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.345437252,3.090199877,3.740601563,3.938721876,3.855388542,23.51685016,56.29049406,74.16479704,89.77443751,94.52932501,92.52932501,0.213713581,0.511549931,0.673985856,0.815841255,0.859052146,0.840876788,3.605093744,2.239525248,1.494762624,0.844360938,0.646240625,0.729573959,0.206076118,0.493268716,0.649899682,0.786685607,0.828352274,0.810826448,6.772325919,17.12993833,21.02005558,23.85331982,24.05299043,23.05299043,37.92632204,28.30072848,22.21202699,17.51591511,16.96403542,18.25651667,8.1,4,2.285714286,4,6,4,2.56,1.28,0.333333333,3.422158352,2.149139864,0,6.945629182,6.085553735,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.151,0.144,0.514,0.649,4.689,12,14,14,14,8,6,2,0,0,90,2.63905733,3.068052935,3.518980417,3.914519886,4.313312742,3.765551102,3.725693427,2.784239339,0,0,5.696883733,3.299305556,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,0,3,6,1,1.5,1.111111111,0.4375,0.191111111,0.152777778,0.04,0,0,0,0,0.15,0.092592593,0.039772727,0.027301587,0.038194444,0.04,0,0,0,0,0.387861352,24.96027687,37.10029833,49.92055373,4.992055373,24.96027687,0.054700231,0.005470023,-2.905887347,107.3580669,10.73580669,4.676169667,0,150.3504702,4.321928095,3.80666249,4.574710979,5.361292166,6.150602768,6.944087208,7.737616283,8.532475815,9.326967184,10.12202049,82.55643538,3.044522438,0,4.234106505,0,5.65248918,0,7.158513997,0,8.703008637,8.947285869,134.1095504,5.587897935,19.52724104,1.952724104,0,0,0,121,11,4.011,44,1.236512656,2.164930193,2.965069029,3.722678127,4.377382855,5.526216698,6.674735984,7.865256659,0,0,92.91185031,113.623177,113.7825863,109.9191829,89.83009648,62.79788839,27.37127644,7.991604142,0,0,323.9803594,435.048515,479.9816946,521.5386142,490.6483874,470.167588,362.7685305,244.4816279,0,0,9.050443239,15.5781293,21.08772308,26.3444751,30.65935821,38.34859606,45.58498675,52.84244372,0,0,2.364973853,3.357973835,3.902985892,4.444923356,4.447755108,4.689780193,4.20947443,3.496994611,0,0,173.8105839,323.0953877,460.1231939,586.3675213,712.9773203,926.0664688,1175.252245,1454.424794,0,0,3.114146793,4.578796416,5.731753281,7.060622534,7.637206833,8.676222211,8.531130624,7.865256659,0,0,0.486961494,0.699231276,0.820900107,0.942370207,0.953502675,1.020891038,0.938932867,0.805402282,0,0,278.7156861,149.7492451,10.98142046,79.87957471,-42.91795046,-4.776660073,198.8361114,192.6671956,15.75808053,0.777243083,0.417599621,0.03062344,0.222756917,-0.119683541,-0.013320477,99.94612417,53.69936961,3.937885333,28.64443693,-15.39017364,-1.712887665,0.115465203,0.12048862,1.438085983,0.954879563,358.5952608,0,1,0,726.8842238,26.96079049,8.991284665,863.5642905,29.38646441,9.522805011,1267.367914,35.60011115,10.82183487,2.065462657,2.065462657,710.0231553,603.0350707,163.6959785,1.177416024,4.337450202,3.683872237,4.395404959,4.443439901,7.963231373,0.792132121,4.313020202,4.901461064,4.567414572,16.895635,5.163184263,8.070454164,5.380535607,8.837713579,5.556137655,4.514281356,4.865549702,3.022609564,1.732812076,1.271591476,1.718141754,4.99E-13,2.93E-47,3.44E-103,8.03E-181,3.70E-280,0,0,0,0,0,0,0,0,0,0,0.362071417,4.719493148,0.355661999,6.191825066,1.545866239,1.405964561,1.139685742,1.6100042,0.870635021,0.313646507,1.18595271,0.32815992,0.082699843,0.068488127,0.012101013,3.52E-15,2.06E-49,2.42E-105,5.65E-183,2.61E-282,0,0,0,0,0,0,0,0,0,0,1.168544138,4.731653019,1.165698124,7.381465906,1.888466846,2.336716091,1.923670042,2.757506624,1.337557848,1.014438501,1.921144012,0.671880515,0.308295191,0.246277366,0.126101884,3.67E-14,2.15E-48,2.52E-104,5.89E-182,2.72E-281,0,0,0,0,0,0,0,0,0,0,4.071145892,4.881482728,4.29200166,15.88827427,4.801723934,7.510476081,5.092023951,8.279264004,5.096129847,4.201704934,4.634665033,2.784684372,1.592444698,1.173956564,1.53083337,4.45E-13,2.61E-47,3.06E-103,7.15E-181,3.30E-280,0,0,0,0,0,0,0,0,0,0,1.722162424,4.747418556,1.736511283,8.49362291,2.241164061,3.103208795,2.486098291,3.642569731,1.803424895,1.542022011,2.430548721,0.969080954,0.496185143,0.3884523,0.273910142,7.96E-14,4.66E-48,5.48E-104,1.28E-181,5.91E-281,0,0,0,0,0,0,0,0,0,0,5.208571964,4.985467182,5.607096806,21.02520011,6.660480817,10.31636602,6.481566678,11.0370812,7.455955018,5.734532505,5.726795498,3.986394724,2.297206777,1.660319128,2.505748275,7.28E-13,4.27E-47,5.01E-103,1.17E-180,5.40E-280,0,0,0,0,0,0,0,0,0,0,2.384636231,3.782398704,2.369421375,9.037798896,2.648092105,4.08826445,3.381710932,4.58325567,2.377842649,2.193597684,3.185136179,1.44595673,0.774219805,0.597792222,0.502013661,1.46E-13,8.55E-48,1.00E-103,2.35E-181,1.08E-280,0,0,0,0,0,0,0,0,0,0,5.384201833,1.756302876,0.509811045,0.703788184,0.2295726,0.523560275,0.518297971,0.320056083,7.650315754,13.09659733,25.56783374,0.555682276,1.361914329,4.477368459,1.01061179,0.211747492,0.78554076,0.177308783,0.362571404,0.172748268,0.055819327,5.699727741,5.686947405,12.34480742,0.678311139,0.591139,4.799340808,1.275520723,0.317674203,0.750772621,0.199532826,0.416355674,0.274505767,0.125025191,6.392535734,8.051485451,16.38871422,0.626158932,0.815886632,5.357464391,1.73433548,0.501033826,0.705594855,0.22841742,0.518391753,0.505507237,0.30919977,7.592833697,12.8448722,25.09313212,0.558392282,1.33309876,4.957820471,1.405852638,0.369769159,0.736298059,0.208786618,0.444193525,0.333087679,0.169068414,6.733442268,9.323055039,18.6337754,0.604447088,0.946349619,5.469619519,1.826474168,0.537847795,0.698195095,0.233148814,0.540243903,0.560210276,0.355980273,7.833941481,13.91430666,27.12141148,0.547292643,1.456434452,5.370334282,1.736748875,0.500394414,0.705928375,0.228294971,0.52091244,0.507022724,0.308262593,7.60747757,12.88326673,25.15788398,0.558892563,1.336197757 +UMLKV0141,L,TERT-BUTYLBENZENE,CC(C)(C)C1=CC=CC=C1,C10H14,Aromatic (single ring),Aromatics,98-06-6,3.010596228,PubChem,,0.9736,0,2.764,7.639696,48.8625,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2258.876942,2063.146019,1416.666559,755.790843,163.574208,9.144576,0,4670.34144,5841.481647,8388.986035,9257.748935,7485.049497,4760.641003,1936.346796,279.7536999,0,169.463656,175.052008,301.268408,387.40718,481.702588,334.931628,206.343936,60.466176,0,34.11358067,43.47862034,64.20345803,75.88457971,67.82517366,45.09756585,21.36556401,4.001516144,0,3856.790689,3411.659229,6348.70826,8106.187886,11366.80668,7906.799802,5165.988309,1664.258868,0,50.34027778,60.25,89.25,117.1666667,117.6666667,81.25,42,9,0,60.70275442,67.17251842,53.78278433,38.20640776,20.53139941,15.74564256,5.4524736,1.016064,0,194.59756,243.3950686,199.7377627,171.4397951,108.4789782,99.1800209,64.54489321,31.08374443,0,7.060985667,7.293833667,7.173057333,7.174207037,6.981196928,6.97774225,6.8781312,6.718464,0,1.421399194,1.811609181,1.528653763,1.405269995,0.982973531,0.939532622,0.712185467,0.444612905,0,160.6996121,142.1524679,151.1597205,150.1145905,164.7363288,164.7249959,172.1996103,184.917652,0,2.097511574,2.510416667,2.125,2.169753086,1.70531401,1.692708333,1.4,1,0,0.053704508,-0.008350903,0.004587263,-0.02328864,-0.012619251,-0.003266101,0.002854561,0.013230817,0,706.2183858,-6.39E-14,206.8210987,-610.374462,27.74429373,-191.6878476,25.22208521,189.1656391,0,1313.243245,2.13E-13,384.5926646,-1135.017376,51.59169891,-356.4517379,46.90154447,351.7615835,0,0.138343333,2.24E-15,0.040514833,-0.119568167,0.005434917,-0.037550333,0.004940833,0.03705625,0,5.870808328,1.36E-14,1.719308153,-5.074055769,0.230638899,-1.593505118,0.209671726,1.572537945,0,31.89032402,-1.08E-13,9.339309176,-27.56235147,1.252834158,-8.65594509,1.138940143,8.542051076,0,5.194155093,-1.583043981,3.100911458,-3.442057292,0.015299479,-1.613136574,-0.317346644,1.242296007,0,0.002237688,-3.48E-04,1.09E-04,-4.31E-04,-1.83E-04,-6.80E-05,9.52E-05,0.001470091,0,29.42576608,-2.66E-15,4.924311874,-11.30323078,0.402091213,-3.993496825,0.840736174,21.01840434,0,54.71846854,8.88E-15,9.156968205,-21.0188403,0.747705781,-7.426077874,1.563384816,39.08462039,0,0.005764306,9.32E-17,9.65E-04,-0.002214225,7.88E-05,-7.82E-04,1.65E-04,0.004117361,0,0.244617014,5.67E-16,0.040935908,-0.093963996,0.003342593,-0.033198023,0.006989058,0.174726438,0,1.328763501,-4.50E-15,0.222364504,-0.510413916,0.018157017,-0.180332189,0.037964671,0.949116786,0,0.216423129,-0.065960166,0.073831225,-0.063741802,2.22E-04,-0.033607012,-0.010578221,0.13803289,0,-0.155497246,0.048809559,-0.192730685,-0.081730659,-0.030408069,0.042522474,0.65696867,0,-9.06E-17,0.167346939,-0.384126984,0.013664596,-0.135714286,0.028571429,0.714285714,0,1.62E-16,0.167346939,-0.384126984,0.013664596,-0.135714286,0.028571429,0.714285714,0,1.62E-14,0.167346939,-0.384126984,0.013664596,-0.135714286,0.028571429,0.714285714,0,2.32E-15,0.167346939,-0.384126984,0.013664596,-0.135714286,0.028571429,0.714285714,0,-3.38E-15,0.167346939,-0.384126984,0.013664596,-0.135714286,0.028571429,0.714285714,0,-0.304774107,0.341142953,-0.294523982,0.001024528,-0.155283828,-0.0488775,0.637791766,0,1.239408888,0.811893886,1.230068907,0.893740584,1.098199622,0.952433814,0.308469542,0,1.15,0.891836735,1.423809524,0.885714286,1.026785714,0.788571429,0,0,1.15,0.891836735,1.423809524,0.885714286,1.026785714,0.788571429,0,0,1.15,0.891836735,1.423809524,0.885714286,1.026785714,0.788571429,0,0,1.15,0.891836735,1.423809524,0.885714286,1.026785714,0.788571429,0,0,1.15,0.891836735,1.423809524,0.885714286,1.026785714,0.788571429,0,0,1.483705643,0.586819676,1.322266169,0.934766865,1.109896385,0.885610829,0,0,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,51.01256141,25.17199555,38.17352836,50.92656141,5.092656141,25.17199555,-0.215,0.322160345,0.032216034,-1.132705892,37.60184285,3.760184285,3.627053061,0,11.85,12.1501118,-0.209784842,0.090356042,6.636294998,9.540697499,10,24,21,18,4,3,0,0,0,6,15.304898,3.816440743,3.321824474,2.619181914,2.480282572,2.333552793,2.333552793,0.953184807,0.941428501,2.01079436,1.721444008,1.249629723,1.249629723,1.082250302,0.950449026,0.310513972,0.239930612,3.827816466,3.346908079,2.645815032,2.508422564,2.405454588,2.405454588,1.053336623,1.043091076,1.977938475,1.660851284,1.134540686,1.134540686,1.007167592,0.875463655,0.150156259,0.075242244,3.880159401,3.46141569,2.771820215,2.704236987,2.704236987,2.638910267,1.517793787,1.446259996,1.891139127,1.484979849,0.798620231,0.76031856,0.76031856,0.666187822,0.396843083,0.473017856,3.83631002,3.365630997,2.665925019,2.529531816,2.457539916,2.457539916,1.134811365,1.109915352,1.957986757,1.622339173,1.058262671,1.058262671,0.960278991,0.828656609,0.041902902,0.035557662,3.907304368,3.519230963,2.838982085,2.838982085,2.838078588,2.706120674,1.721464227,1.641901296,1.86649785,1.431813264,0.738564276,0.631337262,0.631337262,0.604855658,0.594311107,0.656533452,3.83686469,3.349618626,2.735205432,2.560250613,2.545054156,2.545054156,1.239419255,1.149307729,1.972665668,1.597415238,0.959151073,0.959151073,0.878261043,0.781295632,0.075442523,0.138774239,0,0,0,5,1,3,0,0,1,0,0,0,0.102062073,0.051031036,0,0,0,0.032075015,0.016037507,1.510362971,0.288675135,0.433012702,0.144337567,1.333333333,0.25,0.25,0.083333333,1.861881719,2.103152481,2.150556853,1.212250449,1.160683603,0.974833632,7.612884175,4.605171716,4.70095927,2.829916587,1.968614081,1.369082439,0.535074775,0.306186218,0.761288418,0.460517172,0.335782805,0.202136899,0.140615291,0.097791603,0.066884347,0.051031036,6.886751346,3.660683603,3.616025404,1.639814472,0.938152853,0.53668078,0.198741682,0.096225045,0.688675135,0.36606836,0.258287529,0.117129605,0.067010918,0.038334341,0.02484271,0.016037507,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.9841,45.142,40.42054828,58.46993254,80.84109655,8.084109655,40.42054828,0.278590457,0.027859046,-1.278012472,37.98302013,3.798302013,3.637139221,78,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,3,0,0,5,0,0,0,0,0,0,0,0,3,0,0,0,0,5,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.95013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.978611111,0,0.857916667,0,0,1.978611111,0,0,0,0,0,0,0,0,6.673611111,0,0,0,0,10.55199074,0,0,0,0,1.398148148,0,0.292916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.398148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375347222,0,0.285972222,0,0,0.375347222,0,0,0,0,0,0,0,0,2.224537037,0,0,0,0,2.050833333,0,0,0,0,1.398148148,0,0.292916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.419166667,0,0.285972222,0,0,0.419166667,0,0,0,0,0,0,0,0,2.224537037,0,0,0,0,2.166666667,0,0,0,0,1.398148148,0,0.292916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.91666667,1.891666667,0.419166667,2.224537037,0.104166667,0.292916667,6.389439444,0.957083333,0.224537037,2.451203704,0.957083333,0.224537037,2.451203704,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.3,0.1,0.1,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.4465,0.74465,12.42563,4.97913,0.49791,2.66428,0.26643,4.60517,1.94089,0.19409,0.30883,0.03088,0.39483,0.03948,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.230650273,2.432931647,2.833333333,3.031453646,2.833333333,23.51685016,53.53560655,58.39035953,68,72.7548875,68,0.213713581,0.486514398,0.530632834,0.617962161,0.661173051,0.617962161,3.605093744,2.354312228,2.152030854,1.751629167,1.553508855,1.751629167,0.206076118,0.469127876,0.511669655,0.595878101,0.637544767,0.595878101,6.772325919,15.75249458,18.17987107,20.76117905,20.96084966,18.58340591,37.92632204,30.31952535,26.51052282,22.56441094,22.01253125,25.32380937,8.1,2.93877551,2.285714286,4,6,3,2.56,1.28,1.5,4.02369228,1.5,3,6.083643419,3.041821709,1.850535862,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.184,0.171,0.474,0.643,4.505,14,14,14,14,8,6,0,0,0,90,2.63905733,3.157000421,3.548179572,3.944006051,4.342993404,3.840795496,3.840795496,0,0,0,5.696883733,3.299305556,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,5,0.666666667,3,1.333333333,0.6875,0.248888889,0.1875,0,0,0,0,0,0.3,0.095238095,0.0625,0.035555556,0.0625,0,0,0,0,0,0.555793651,23.37727465,34.54807559,46.75454929,4.675454929,23.37727465,0.032427167,0.003242717,-3.428758735,56.28586604,5.628586604,4.030443456,0,150.3504702,4.321928095,3.891820298,4.65396035,5.509388337,6.300785795,7.153833802,7.954723334,8.804925263,9.609988595,10.45826307,84.33768885,3.044522438,0,4.343805422,0,5.843544417,0,7.419979924,0,9.031333316,9.257128533,134.1095504,5.587897935,19.29949945,1.929949945,0,0,0,114,11,3.854,48,1.236512656,2.163579757,3.017039332,3.631564835,4.385138938,5.439742824,6.224299214,0,0,0,92.91185031,128.2228326,119.9043185,85.33572729,76.38277317,29.42691151,6.324286356,0,0,0,323.9803594,463.9994136,530.5052347,423.5071962,467.9632868,349.3491661,193.474526,0,0,0,9.050443239,15.58351653,21.67504464,25.41476129,30.72202289,37.40687399,41.81773019,0,0,0,2.364973853,3.495603645,4.320802798,3.746439119,4.358514005,3.860044284,2.767403754,0,0,0,173.8105839,322.5613406,450.7295741,593.8576646,712.7308269,937.3899542,1150.982796,0,0,0,3.172198876,4.798039684,6.628770119,6.38604629,7.748985559,7.594619115,6.224299214,0,0,0,0.486961494,0.724918253,0.90751501,0.800572679,0.93775659,0.853540643,0.637368239,0,0,0,268.4510557,140.566157,10.43332968,81.76649379,-42.81451519,-4.824606727,186.684562,183.3806722,15.25793641,0.766526566,0.401368113,0.029790996,0.233473434,-0.122251199,-0.013776028,94.01627091,49.22873506,3.653935154,28.63606109,-14.9943946,-1.689661945,0.118494841,0.117912504,1.475819255,1.594521369,350.2175495,0,1,0,726.8842238,26.96079049,8.991284665,863.5642905,29.38646441,9.522805011,1311.356274,36.21265351,10.94561663,1.60706476,1.60706476,576.4648566,491.5977576,193.0437467,1.172635244,2.986187672,2.546561419,4.217577998,3.785524729,6.668902549,0.76168511,4.313020202,4.901504018,4.951383489,15.51913342,3.941262212,6.928674604,8.601558586,6.354044017,5.436797567,7.020040549,4.262128814,2.597706692,6.85E-05,2.40E-30,1.89E-77,3.26E-146,1.19E-236,0,0,0,0,0,0,0,0,0,0,0,0,0,0.362071417,4.71949345,0.341577251,8.151651371,1.122454199,1.706385188,1.315663346,1.032566293,1.428488606,0.477069691,0.233553798,0.018295861,4.82E-07,1.69E-32,1.33E-79,2.29E-148,8.38E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,1.168544138,4.731656172,1.150744895,9.279146482,1.42825335,2.721594977,2.209102329,1.962072614,2.047165515,1.613887652,0.83573763,0.190656974,5.03E-06,1.76E-31,1.38E-78,2.39E-147,8.73E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.071145892,4.881520999,4.622550779,14.93495597,3.673328452,6.591008755,7.945466005,5.972824361,5.120833715,6.549176267,3.937626145,2.314509894,6.10E-05,2.14E-30,1.68E-77,2.90E-146,1.06E-236,0,0,0,0,0,0,0,0,0,0,0,0,0,1.722162424,4.747425403,1.745344914,10.1648871,1.718218661,3.433579577,2.998722063,2.646683193,2.531104805,2.453288121,1.314480358,0.414132424,1.09E-05,3.82E-31,3.01E-78,5.19E-147,1.90E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,5.208571964,4.985529826,6.221840683,17.83325631,5.041583932,8.199292661,11.26927612,7.828479731,6.686805568,8.843268836,5.552038706,3.788511073,9.99E-05,3.50E-30,2.75E-77,4.75E-146,1.74E-236,0,0,0,0,0,0,0,0,0,0,0,0,0,2.410643042,3.534666369,2.266910736,10.89242326,2.21471783,4.417246455,4.140326941,3.34125037,3.291456014,3.514330791,1.930909066,0.725940274,1.91E-05,6.70E-31,5.27E-78,9.10E-147,3.32E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,4.12366197,1.818929157,0.830846445,0.608798993,0.268538558,0.521431158,0.552809754,0.312358577,6.773437573,12.43802971,25.44335483,0.413198489,1.386599489,3.395668697,1.036027113,0.403251987,0.702317551,0.214278862,0.35359309,0.179466598,0.073588333,4.834947798,5.305094981,11.55868522,0.553476327,0.606648021,3.65423338,1.314100723,0.555124647,0.661584262,0.237912653,0.409484473,0.288667263,0.139450613,5.52345875,7.560075442,15.7492598,0.492376393,0.837602349,4.102208255,1.795858152,0.818245633,0.610782857,0.26738754,0.516020414,0.53888676,0.302956648,6.71631204,12.19305121,24.93736585,0.416174285,1.357863822,3.78146531,1.450929719,0.629855831,0.645053479,0.24750386,0.438491512,0.351869355,0.179520461,5.862250861,8.782294921,18.10033823,0.467580218,0.969881328,4.192195772,1.892629032,0.871099584,0.602679894,0.272088787,0.538904787,0.598473735,0.343355296,6.955924388,13.23475978,27.10222471,0.404019841,1.480733818,4.108327135,1.797316822,0.818540213,0.610977783,0.267291433,0.517560963,0.539762557,0.303174818,6.72418417,12.21797253,24.98622936,0.416466674,1.360498337 +UMLKV0142,L,O-CYMENE,CC1=CC=CC=C1C(C)C,C10H14,Aromatic (single ring),Aromatics,527-84-4,3.014790453,PubChem,,0.974,0,2.2271,4.95997441,48.2855,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2126.719909,2103.526668,1580.99492,718.458386,131.40288,6.096384,0,4670.34144,5841.481647,8080.20575,8804.055012,7755.436337,5307.58616,1974.740242,186.5024666,0,169.463656,175.052008,300.845524,364.481328,403.100576,378.012872,285.368832,40.310784,0,34.11358067,43.47862034,62.52810234,70.87464544,66.84090011,51.44133883,24.02519324,2.667677429,0,3856.790689,3411.659229,6375.036452,7779.467573,8994.286251,8788.273071,7512.180551,1109.505912,0,49.33333333,59.66666667,87.22222222,105,107.6666667,93.33333333,50,6,0,60.70275442,67.17251842,50.63618831,41.24562094,27.73675298,13.30478493,3.12864,1.016064,0,194.59756,243.3950686,192.3858512,172.6285296,136.0602866,98.28863259,47.0176248,31.08374443,0,7.060985667,7.293833667,7.162988667,7.146692706,7.07193993,7.00023837,6.794496,6.718464,0,1.421399194,1.811609181,1.488764342,1.38969893,1.17264737,0.952617386,0.572028411,0.444612905,0,160.6996121,142.1524679,151.7865822,152.5385799,157.7944956,162.7457976,178.8614417,184.917652,0,2.055555556,2.486111111,2.076719577,2.058823529,1.888888889,1.728395062,1.19047619,1,0,0.049361269,-0.003783465,-0.002323667,-0.010150859,-0.017188365,-0.020549315,0.020589208,0.008725828,0,706.2183858,-7.82E-14,136.1992601,-199.2544731,-355.6314014,-539.7526235,479.219619,126.110426,0,1313.243245,1.85E-13,253.2683401,-370.5222013,-661.311777,-1003.693052,891.1293449,234.5077223,0,0.138343333,2.23E-15,0.0266805,-0.039032583,-0.06966575,-0.105733833,0.093875833,0.024704167,0,5.870808328,1.37E-14,1.13222732,-1.656406635,-2.956371337,-4.486974937,3.983762794,1.04835863,0,31.89032402,-1.08E-13,6.150276775,-8.997627133,-16.05905602,-24.37331907,21.63986273,5.694700717,0,4.87037037,-1.12962963,1.699074074,-1.053240741,-0.881944444,-4.439814815,2.587962963,0.782407407,0,0.00205672,-1.58E-04,-5.53E-05,-1.99E-04,-3.02E-04,-3.81E-04,4.90E-04,0.001454305,0,29.42576608,-3.26E-15,3.242839527,-3.906950454,-6.239147394,-9.995418953,11.40999093,21.01840434,0,54.71846854,7.70E-15,6.030198574,-7.265141202,-11.601961,-18.58690836,21.21736535,39.08462039,0,0.005764306,9.28E-17,6.35E-04,-7.65E-04,-0.001222206,-0.001958034,0.002235139,0.004117361,0,0.244617014,5.71E-16,0.026957793,-0.032478561,-0.051866164,-0.083092128,0.094851495,0.174726438,0,1.328763501,-4.51E-15,0.146435161,-0.176424061,-0.281737825,-0.451357761,0.515234827,0.949116786,0,0.202932099,-0.047067901,0.040454145,-0.020651779,-0.01547271,-0.082218793,0.061618166,0.130401235,0,-0.076648445,-0.026899835,-0.096773744,-0.146617107,-0.185024188,0.238350069,0.707099171,0,-1.11E-16,0.110204082,-0.132773109,-0.212030075,-0.33968254,0.387755102,0.714285714,0,1.41E-16,0.110204082,-0.132773109,-0.212030075,-0.33968254,0.387755102,0.714285714,0,1.61E-14,0.110204082,-0.132773109,-0.212030075,-0.33968254,0.387755102,0.714285714,0,2.34E-15,0.110204082,-0.132773109,-0.212030075,-0.33968254,0.387755102,0.714285714,0,-3.40E-15,0.110204082,-0.132773109,-0.212030075,-0.33968254,0.387755102,0.714285714,0,-0.231939163,0.19934818,-0.101766943,-0.076245747,-0.405154204,0.303639326,0.642585551,0,1.16725437,0.933765831,1.123295804,1.097586412,1.200757206,0.524624741,0.340348408,0,1.15,0.93877551,1.159663866,1.17593985,1.241269841,0.375510204,0,0,1.15,0.93877551,1.159663866,1.17593985,1.241269841,0.375510204,0,0,1.15,0.93877551,1.159663866,1.17593985,1.241269841,0.375510204,0,0,1.15,0.93877551,1.159663866,1.17593985,1.241269841,0.375510204,0,0,1.15,0.93877551,1.159663866,1.17593985,1.241269841,0.375510204,0,0,1.421102662,0.712112982,1.07000671,1.058635181,1.44782425,0.449755568,0,0,38.28797683,19.14398841,27.35727793,38.28797683,3.828797683,19.14398844,7.11E-15,0.230446684,0.023044668,-1.467735751,100.5565113,10.05565113,4.610719871,38.28797683,19.14398841,27.35727793,38.28797683,3.828797683,19.14398844,7.11E-15,0.230446684,0.023044668,-1.467735751,100.5565113,10.05565113,4.610719871,38.28797683,19.14398841,27.35727793,38.28797683,3.828797683,19.14398844,7.11E-15,0.230446684,0.023044668,-1.467735751,100.5565113,10.05565113,4.610719871,38.28797683,19.14398841,27.35727793,38.28797683,3.828797683,19.14398844,7.11E-15,0.230446684,0.023044668,-1.467735751,100.5565113,10.05565113,4.610719871,38.28797683,19.14398841,27.35727793,38.28797683,3.828797683,19.14398844,7.11E-15,0.230446684,0.023044668,-1.467735751,100.5565113,10.05565113,4.610719871,38.28797683,19.14398841,27.35727793,38.28797683,3.828797683,19.14398844,7.11E-15,0.230446684,0.023044668,-1.467735751,100.5565113,10.05565113,4.610719871,47.69852692,23.51340887,34.9854788,47.60342113,4.760342113,23.51340887,-0.173333333,0.371916395,0.03719164,-0.989086194,47.10362226,4.710362226,3.852349904,0,11.89,12.11015511,-0.151531181,0.071757339,6.228245782,9.387130939,10,24,21,18,4,3,0,0,0,6,15.304898,3.82998424,3.21836674,2.869050417,2.511352721,2.333552793,2.040375571,1.225125403,0.758294751,2.013063287,1.681708048,1.412025077,1.249629723,1.014447498,0.767795719,0.438467017,0.23948207,3.84052816,3.248033876,2.900795774,2.5423055,2.405454588,2.097477069,1.321860205,0.883173386,1.981756688,1.612633163,1.327749955,1.134540686,0.935883133,0.672878267,0.291394492,0.071848869,3.889355384,3.38254711,3.051944454,2.704236987,2.684032506,2.332624182,1.725237538,1.397533545,1.899659651,1.410008959,1.084016631,0.76031856,0.713371865,0.376488385,0.199646279,0.509857251,3.848416746,3.270137692,2.924852053,2.5654187,2.457539916,2.138716694,1.392220797,0.974416439,1.962798063,1.568576208,1.274104532,1.058262671,0.886514595,0.611322356,0.192880161,0.041939747,3.914866816,3.449784754,3.131021875,2.838982085,2.756178364,2.438038884,1.905120094,1.617555831,1.8765634,1.347937115,1.012042737,0.647281227,0.631337262,0.275532993,0.372845349,0.725023361,3.847260644,3.264110794,2.981016428,2.627119052,2.556211565,2.192360498,1.420284965,1.088178051,1.97125681,1.543992227,1.190692897,0.949068708,0.809651615,0.554773075,0.125210997,0.169158608,0,0,0,4,2,3,0,1,0,0,0,0,0.083333333,0.131445856,0,0,0,0.027777778,0.043815285,0.705118357,0,0.232307808,0,0.516346035,0,0.131445856,0,1.498266827,2.174558379,2.133706448,0.907229279,1.173575314,0.956493242,7.560477932,4.715214055,4.169612481,3.034129906,2.335345682,1.341715763,0.565641142,0.240562612,0.756047793,0.471521406,0.320739422,0.202275327,0.145959105,0.09583684,0.070705143,0.048112522,6.886751346,3.770725942,3.011288554,1.810469848,1.234579548,0.537523693,0.207336156,0.080187537,0.688675135,0.377072594,0.231637581,0.12069799,0.077161222,0.03839455,0.025917019,0.016037507,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.83802,44.171,42.48714605,61.07011492,84.9742921,8.49742921,42.48714605,0.127985704,0.01279857,-2.055836709,60.63342718,6.063342718,4.104846345,76,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,4,0,0,0,0,0,0,0,0,3,0,0,0,0,4,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.40166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.576805556,0,0.93125,0,0,1.576805556,0,0,0,0,0,0,0,0,6.611111111,0,0,0,0,8.540555556,0.653888889,0,0,0,2.861111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.400462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375347222,0,0.285972222,0,0,0.375347222,0,0,0,0,0,0,0,0,2.162037037,0,0,0,0,2.084537037,0.653888889,0,0,0,1.400462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.194444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.410486111,0,0.359305556,0,0,0.410486111,0,0,0,0,0,0,0,0,2.224537037,0,0,0,0,2.194444444,0.653888889,0,0,0,1.460648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.66666667,1.866666667,0.410486111,2.224537037,0.104166667,0.653888889,6.259751111,0.679444444,0.224537037,2.303333333,0.679444444,0.224537037,2.303333333,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.3,0.3,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.21256,0.72126,12.12199,4.90943,0.49094,2.70236,0.27024,4.71519,2.01283,0.20128,0.19881,0.01988,0.28481,0.02848,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.367492461,3.15726823,3.323934896,3.355388542,3.490601563,23.51685016,56.81981907,75.77443751,79.77443751,80.52932501,83.77443751,0.213713581,0.516360267,0.688613752,0.724964467,0.731824642,0.761315182,3.605093744,2.21747004,1.427694271,1.261027604,1.229573959,1.094360938,0.206076118,0.497907145,0.664004822,0.699056475,0.705671489,0.734108128,6.772325919,17.88939319,21.43339272,21.60136356,22.54907792,22.68534898,37.92632204,26.78820795,21.37919844,20.85087761,19.75025104,19.34298282,8.1,3.408284024,1.991111111,2,6,0,2.56,1.28,0.944940787,3.37055691,4.952890873,0,3.965406457,5.553157574,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.147,0.132,0.49,0.657,4.666,13,15,16,14,8,5,2,0,0,93,2.63905733,3.157000421,3.630985476,4.040855877,4.385925275,3.944006051,3.662760043,2.784239339,0,0,5.775230663,3.453965054,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,5,0.666666667,2,1.333333333,0.875,0.302222222,0.125,0,0,0,0,0,0.2,0.102564103,0.072916667,0.037777778,0.0625,0,0,0,0,0,0.475758547,23.44376108,33.38613185,46.88752215,4.688752215,23.44376108,0.051500103,0.00515001,-2.966171475,58.6263138,5.86263138,4.071183637,0,150.3504702,4.321928095,3.850147602,4.634728988,5.459585514,6.263398263,7.090909822,7.899153483,8.726643416,9.536112711,10.36334614,83.82402594,3.044522438,0,4.290459441,0,5.752572639,0,7.311218384,0,8.912069098,9.141311786,134.1095504,5.587897935,19.38481891,1.938481891,0,0,0,114,12,3.834,46,1.235929323,2.155196633,3.001032187,3.734303883,4.414944946,5.089061907,6.244540072,0,0,0,92.76161773,120.091917,131.3250453,113.8264564,63.01894725,16.59593432,6.344852363,0,0,0,323.5789178,444.2771023,539.7713069,536.4661482,453.1684739,244.3598682,194.1036877,0,0,0,9.045833162,15.49815552,21.49728236,26.46946657,30.97750671,34.60187145,41.95371767,0,0,0,2.362509317,3.384479643,4.303497173,4.549477456,4.344471923,2.951744392,2.776403101,0,0,0,173.7497847,322.8773084,454.180654,584.9412366,712.9309298,908.3045026,1154.725688,0,0,0,3.153935111,4.653982839,6.316794967,7.255696453,7.817424495,6.119185159,6.244540072,0,0,0,0.486472119,0.70331228,0.901320242,0.963527952,0.937937175,0.662864899,0.639440903,0,0,0,288.0069464,145.8803282,10.68817394,82.48981278,-41.7824678,-4.621508546,205.5171336,187.662796,15.30968248,0.777353484,0.393742522,0.028848225,0.222646516,-0.112774179,-0.012473816,106.7056403,54.04818884,3.959933806,30.5622083,-15.48026891,-1.712253939,0.122494752,0.12140435,1.669258242,2.099901705,370.4967592,0,1,0,729.0594248,27.00110044,9.00024454,865.5271791,29.41984329,9.530014688,1306.903602,36.15112172,10.93321407,1.146561949,1.027904209,573.6406231,441.2355832,237.6830892,1.300077883,2.413468392,1.85640293,4.284907952,3.821429894,6.697982109,0.752742375,4.231360714,4.769015911,5.158656314,12.1884832,5.280115584,8.678472642,10.39327363,7.52718985,5.12461793,5.479156496,4.792232927,1.500183901,2.34E-04,1.53E-28,2.64E-74,9.79E-142,7.28E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0.355218392,4.76882933,0.29002458,6.622765441,1.08731872,1.67476629,1.606379464,1.015637174,1.426626111,0.311937843,0.185088443,0.010565918,1.65E-06,1.08E-30,1.86E-76,6.90E-144,5.13E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,1.146421676,4.768842253,1.029758141,7.467270343,1.496291762,2.618788949,2.999711193,2.040010436,2.044959935,1.104422184,0.740535147,0.110105011,1.72E-05,1.13E-29,1.94E-75,7.19E-143,5.34E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,3.994066058,4.768995587,4.770724873,11.74460376,4.865349111,8.077927534,9.713747288,7.020738507,4.849938523,5.070045889,4.373997314,1.336636847,2.09E-04,1.37E-28,2.35E-74,8.72E-142,6.49E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,1.689557927,4.768858595,1.612997111,8.133571657,1.909722754,3.41101059,4.075035431,2.833704116,2.509957924,1.726306821,1.236137371,0.239162796,3.74E-05,2.45E-29,4.21E-75,1.56E-142,1.16E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,5.109956015,4.769101268,6.697040746,13.94908831,6.995304441,11.09706781,13.07002882,9.524771316,6.196462944,7.099250456,6.495404137,2.18787723,3.42E-04,2.24E-28,3.85E-74,1.43E-141,1.06E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,2.375404451,3.967084936,2.21135274,8.651488062,2.633119554,4.360059628,5.539741866,3.875474009,3.326698638,2.585822308,1.940254259,0.430537472,6.73E-05,4.40E-29,7.58E-75,2.81E-142,2.09E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,3.835503013,2.250733,0.813722362,0.555873355,0.326195156,0.523845997,0.440728567,0.314294494,6.899958375,13.58519955,27.50977343,0.333810033,1.278869057,3.005573353,1.384808931,0.392452554,0.628408351,0.289537268,0.3187807,0.167627528,0.072999036,4.782834838,5.885161564,12.30144077,0.442612526,0.559407265,3.295979152,1.696726024,0.542087584,0.595501818,0.306556379,0.383746717,0.25191636,0.139361344,5.53479276,8.298857088,16.86520614,0.393252727,0.775024421,3.810494092,2.225765635,0.80130894,0.557287872,0.325520041,0.51675659,0.431215612,0.304767658,6.837568667,13.31817569,26.95185926,0.335931808,1.25273986,3.440624429,1.848466528,0.615713944,0.582682152,0.313044471,0.418742815,0.298823841,0.17983524,5.9048049,9.616446143,19.43711728,0.374023229,0.897401897,3.915620466,2.330264537,0.853376529,0.551553207,0.328240413,0.546966302,0.471620683,0.345711355,7.099261532,14.45452317,29.3403604,0.327329811,1.364298339,3.815868394,2.228847537,0.801997656,0.557328468,0.325535384,0.518153909,0.432460526,0.30529684,6.846713587,13.35283688,27.02053161,0.335992702,1.255911275 +UMLKV0143,L,M-CYMENE,CC1=CC(=CC=C1)C(C)C,C10H14,Aromatic (single ring),Aromatics,535-77-3,3.014824384,PubChem,,0.8063,0,2.2271,4.95997441,48.2855,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2126.719909,1982.460659,1393.382767,884.899684,255.350592,24.385536,0,4670.34144,5841.481647,8080.20575,8578.927599,7028.391692,4976.170055,2698.821005,746.0098663,0,169.463656,175.052008,300.845524,364.457612,400.681852,315.19912,229.692672,161.243136,0,34.11358067,43.47862034,62.52810234,69.86822116,61.8208874,45.43908282,28.05085396,10.67070972,0,3856.790689,3411.659229,6375.036452,7774.00066,9179.589965,7325.718654,5466.380431,4438.023649,0,49.33333333,59.55555556,87.77777778,106.8888889,101.3333333,76.33333333,53,24,0,60.70275442,67.17251842,50.63618831,38.87177763,24.4453117,19.66443742,7.737896727,1.016064,0,194.59756,243.3950686,192.3858512,168.2142666,123.3051174,110.5815568,81.7824547,31.08374443,0,7.060985667,7.293833667,7.162988667,7.146227686,7.029506175,7.004424889,6.960384,6.718464,0,1.421399194,1.811609181,1.488764342,1.369965121,1.084576972,1.009757396,0.850025878,0.444612905,0,160.6996121,142.1524679,151.7865822,152.4313855,161.045438,162.7937479,165.6478918,184.917652,0,2.055555556,2.481481481,2.08994709,2.095860566,1.777777778,1.696296296,1.606060606,1,0,0.049309703,-0.003386693,-1.47E-04,-0.02150147,-0.011487803,0.003422237,-0.012077648,0.020523832,0,706.2183858,-1.07E-13,136.1992601,-320.3204821,-174.0323879,-184.121222,-315.2760651,504.4417042,0,1313.243245,7.11E-14,253.2683401,-595.6496147,-323.6206568,-342.3812746,-586.2693058,938.0308893,0,0.138343333,2.23E-15,0.0266805,-0.062748583,-0.03409175,-0.036068083,-0.061760417,0.098816667,0,5.870808328,1.37E-14,1.13222732,-2.66283092,-1.446734909,-1.5306036,-2.620896575,4.19343452,0,31.89032402,-1.07E-13,6.150276775,-14.46453982,-7.85868699,-8.314263047,-14.23675179,22.77880287,0,4.87037037,-1.240740741,2.25462963,-1.886574074,-1.770833333,-0.002314815,-2.918981481,3.12962963,0,0.002054571,-1.41E-04,-3.51E-06,-4.22E-04,-2.02E-04,7.60E-05,-3.66E-04,8.55E-04,0,29.42576608,-4.44E-15,3.242839527,-6.280793768,-3.053199788,-4.091582712,-9.553820155,21.01840434,0,54.71846854,2.96E-15,6.030198574,-11.67940421,-5.677555383,-7.608472769,-17.76573654,39.08462039,0,0.005764306,9.28E-17,6.35E-04,-0.001230364,-5.98E-04,-8.02E-04,-0.001871528,0.004117361,0,0.244617014,5.71E-16,0.026957793,-0.052212371,-0.025381314,-0.034013413,-0.079421108,0.174726438,0,1.328763501,-4.44E-15,0.146435161,-0.283618428,-0.137871702,-0.184761401,-0.431416721,0.949116786,0,0.202932099,-0.051697531,0.053681658,-0.036991649,-0.031067251,-5.14E-05,-0.088453984,0.130401235,0,-0.068682075,-0.001707072,-0.20519975,-0.098093664,0.037014882,-0.178134187,0.416222977,0,-1.51E-16,0.110204082,-0.213445378,-0.103759398,-0.139047619,-0.324675325,0.714285714,0,5.41E-17,0.110204082,-0.213445378,-0.103759398,-0.139047619,-0.324675325,0.714285714,0,1.61E-14,0.110204082,-0.213445378,-0.103759398,-0.139047619,-0.324675325,0.714285714,0,2.34E-15,0.110204082,-0.213445378,-0.103759398,-0.139047619,-0.324675325,0.714285714,0,-3.34E-15,0.110204082,-0.213445378,-0.103759398,-0.139047619,-0.324675325,0.714285714,0,-0.254752852,0.264530147,-0.182285842,-0.153091855,-2.53E-04,-0.43587971,0.642585551,0,1.15835078,0.917645776,1.26492443,1.116033907,0.977379058,1.072894378,0.089408665,0,1.15,0.93877551,1.23697479,1.037593985,1.051428571,1.194805195,0,0,1.15,0.93877551,1.23697479,1.037593985,1.051428571,1.194805195,0,0,1.15,0.93877551,1.23697479,1.037593985,1.051428571,1.194805195,0,0,1.15,0.93877551,1.23697479,1.037593985,1.051428571,1.194805195,0,0,1.15,0.93877551,1.23697479,1.037593985,1.051428571,1.194805195,0,0,1.442965779,0.649646931,1.234623127,1.113868321,0.897845374,1.431040442,0,0,39.20941355,19.60470677,28.58328061,39.20941355,3.920941355,19.60470679,3.55E-15,0.192458849,0.019245885,-1.647872917,76.08804625,7.608804625,4.331891173,39.20941355,19.60470677,28.58328061,39.20941355,3.920941355,19.60470679,3.55E-15,0.192458849,0.019245885,-1.647872917,76.08804625,7.608804625,4.331891173,39.20941355,19.60470677,28.58328061,39.20941355,3.920941355,19.60470679,3.55E-15,0.192458849,0.019245885,-1.647872917,76.08804625,7.608804625,4.331891173,39.20941355,19.60470677,28.58328061,39.20941355,3.920941355,19.60470679,3.55E-15,0.192458849,0.019245885,-1.647872917,76.08804625,7.608804625,4.331891173,39.20941355,19.60470677,28.58328061,39.20941355,3.920941355,19.60470679,3.55E-15,0.192458849,0.019245885,-1.647872917,76.08804625,7.608804625,4.331891173,39.20941355,19.60470677,28.58328061,39.20941355,3.920941355,19.60470679,3.55E-15,0.192458849,0.019245885,-1.647872917,76.08804625,7.608804625,4.331891173,47.99119702,23.71495959,35.52791886,47.92186369,4.792186369,23.71495959,-0.173333333,0.349474972,0.034947497,-1.051323332,52.99944193,5.299944193,3.970281384,0,11.89,12.11015511,-0.151635769,0.071614092,6.08253159,9.072756658,10,24,21,18,4,3,0,0,0,6,15.304898,3.824999809,3.250942887,2.833021805,2.49224194,2.333552793,2.070602936,1.258202578,0.850759656,2.010848929,1.698948071,1.381478701,1.249629723,0.995391778,0.821175585,0.464469276,0.27187936,3.835814988,3.279053755,2.865109308,2.52357057,2.405454588,2.129400833,1.354248042,0.969408584,1.979298982,1.631150458,1.296514657,1.134540686,0.91739789,0.723634108,0.318068987,0.108003694,3.885685418,3.407641508,3.01787805,2.704236987,2.666248832,2.372010162,1.754959073,1.45628483,1.89616949,1.434101887,1.050297801,0.76031856,0.6956404,0.417350807,0.170375409,0.455101749,3.843895208,3.300059577,2.889422504,2.546923916,2.457539916,2.171891576,1.424116456,1.055452706,1.960157377,1.588059859,1.242371032,1.058262671,0.868331067,0.660149128,0.220030012,0.002889629,3.911619196,3.472540203,3.097811316,2.838982085,2.738446687,2.481002565,1.933787161,1.667336951,1.872651739,1.37438934,0.977545462,0.631337262,0.629366442,0.313033584,0.342512847,0.660464524,3.846991363,3.282023355,2.950066996,2.598364347,2.556211565,2.251544744,1.443274108,1.165367759,1.961390621,1.574609494,1.159075331,0.949068708,0.800388336,0.577407932,0.161003564,0.127910988,0,0,0,4,2,3,0,1,0,0,0,0,0.083333333,0.131445856,0,0,0,0.027777778,0.043815285,0.788675135,0,0.166666667,0,0.551566846,0,0.096225045,0,1.389604841,1.522807795,1.981792292,0.809009879,0.72253075,0.861419639,7.560477932,4.698377303,4.275874227,2.919765781,2.086528266,1.572102901,0.60309862,0.328532853,0.756047793,0.46983773,0.328913402,0.208554699,0.139101884,0.098256431,0.067010958,0.054755476,6.886751346,3.764742878,3.068838465,1.708796125,1.029237747,0.69245009,0.226519459,0.119705585,0.688675135,0.376474288,0.236064497,0.122056866,0.06861585,0.043278131,0.025168829,0.019950931,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.83802,44.171,41.91116117,58.99676124,83.82232234,8.382232234,41.91116117,0.134333007,0.013433301,-2.007433437,112.0223709,11.20223709,4.718698591,80,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,4,0,0,0,0,0,0,0,0,3,0,0,0,0,4,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.44907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.54125,0,0.93125,0,0,1.54125,0,0,0,0,0,0,0,0,6.564907407,0,0,0,0,8.665555556,0.652685185,0,0,0,2.783518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.352962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0.285972222,0,0,0.363194444,0,0,0,0,0,0,0,0,2.130833333,0,0,0,0,2.115740741,0.652685185,0,0,0,1.352962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.240740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.39875,0,0.359305556,0,0,0.39875,0,0,0,0,0,0,0,0,2.217037037,0,0,0,0,2.240740741,0.652685185,0,0,0,1.430555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.66666667,1.866666667,0.39875,2.240740741,0.116319444,0.652685185,6.261136019,0.680648148,0.240740741,2.460925926,0.680648148,0.240740741,2.460925926,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.3,0.3,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.077,0.7077,12.0212,4.9442,0.49442,2.70145,0.27014,4.69836,1.99691,0.19969,0.21564,0.02156,0.30164,0.03016,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.367492461,3.240601563,3.490601563,3.438721876,3.522055209,23.51685016,56.81981907,77.77443751,83.77443751,82.52932501,84.52932501,0.213713581,0.516360267,0.706789109,0.761315182,0.75,0.768175358,3.605093744,2.21747004,1.344360938,1.094360938,1.146240625,1.062907292,0.206076118,0.497907145,0.681530649,0.734108128,0.723197315,0.740723142,6.772325919,17.88939319,22.43339272,22.68534898,22.63306334,23.63306334,37.92632204,26.78820795,20.08671719,19.34298282,19.5348375,18.24235625,8.1,3.408284024,2.285714286,2,6,0,2.56,1.28,0.814325285,3.657624003,4.301766353,0,3.532775529,6.447419591,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0.003,0.147,0.132,0.49,0.657,4.666,13,14,15,16,9,6,0,0,0,93,2.63905733,3.157000421,3.590439381,4.027581346,4.440442938,4.037553728,3.725693427,0,0,0,5.758507374,3.396505376,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,5,0.666666667,2.5,1.111111111,0.625,0.462222222,0.125,0,0,0,0,0,0.25,0.085470085,0.056818182,0.066031746,0.03125,0,0,0,0,0,0.489570013,24.06554138,35.22608127,48.13108275,4.813108275,24.06554138,0.044000331,0.004400033,-3.123558133,66.27174754,6.627174754,4.193763676,0,150.3504702,4.321928095,3.850147602,4.615120517,5.433722004,6.224558429,7.041411664,7.840312983,8.65434303,9.456653425,10.26872077,83.38499042,3.044522438,0,4.290459441,0,5.733341277,0,7.261927093,0,8.830689199,9.068200605,134.1095504,5.587897935,19.3855106,1.93855106,0,0,0,117,11,3.834,46,1.235929323,2.155196669,3.001911791,3.721455353,4.607611835,5.701845696,6.510946264,0,0,0,92.76161773,120.0923412,124.583534,104.2157631,102.497127,45.55613161,6.615538105,0,0,0,323.5789178,444.2780966,526.8239509,497.2230128,549.9561612,477.1405966,202.3845897,0,0,0,9.045833162,15.49815713,21.49911923,26.24901423,32.3914382,39.73871165,43.74355808,0,0,0,2.362509317,3.384485055,4.243840664,4.271854678,4.919121793,4.93331592,2.894850732,0,0,0,173.7497847,322.8772294,454.2627171,592.8905667,741.2363845,940.3825408,1203.988896,0,0,0,3.147829042,4.691335581,6.421868783,6.840009262,8.117468784,9.286969258,6.510946264,0,0,0,0.486472119,0.703313322,0.890276459,0.90735867,1.051644251,1.077182001,0.666720897,0,0,0,298.1830886,151.1810122,10.61626793,89.43996475,-45.3467179,-4.948193781,208.7431239,196.5277301,15.56446171,0.769260461,0.390020694,0.027388123,0.230739539,-0.116986638,-0.012765479,115.5826393,58.60124556,4.115110191,34.66899223,-17.57743325,-1.918033982,0.12287688,0.120796469,2.294235307,1.724694264,387.6230534,0,1,0,729.0594248,27.00110044,9.00024454,865.5271791,29.41984329,9.530014688,1283.503434,35.82601616,10.86756747,1.599736988,1.599736988,661.4083986,578.8363149,186.850553,1.142651872,3.53977223,3.097857115,4.410386894,4.340761948,7.534914973,0.735850771,4.231360714,4.76901591,4.091285864,12.62288486,4.236292204,7.462248424,8.407354508,6.15093664,5.389036984,6.906229547,6.559339997,2.997553279,1.748214626,2.101755704,4.21E-10,3.56E-41,6.02E-94,1.97E-168,1.24E-264,0,0,0,0,0,0,0,0,0,0,0,0.355218392,4.76882933,0.282553012,6.660569802,1.0506596,1.669655731,0.534574742,0.958917328,2.366391806,0.324163419,1.28218963,0.10227511,0.029320101,0.014802837,2.97E-12,2.50E-43,4.24E-96,1.39E-170,8.76E-267,0,0,0,0,0,0,0,0,0,0,0,1.146421676,4.768842253,0.951537398,7.586711756,1.386064543,2.544143334,1.716079287,1.83387957,2.94500536,1.214661792,2.025432163,0.428527145,0.172004061,0.154256977,3.09E-11,2.61E-42,4.42E-95,1.45E-169,9.13E-266,0,0,0,0,0,0,0,0,0,0,0,3.994066058,4.768995587,3.819748699,12.15496766,3.929886351,6.998703793,7.774861599,5.767694814,5.190417798,6.343009047,6.11814101,2.72665161,1.56933828,1.872626494,3.75E-10,3.17E-41,5.37E-94,1.76E-168,1.11E-264,0,0,0,0,0,0,0,0,0,0,0,1.689557927,4.768858595,1.442977984,8.308851523,1.709795179,3.235874747,2.653484176,2.48939642,3.353599094,1.960478452,2.634797479,0.731094528,0.331764798,0.335066768,6.71E-11,5.67E-42,9.60E-95,3.14E-169,1.98E-265,0,0,0,0,0,0,0,0,0,0,0,5.109956015,4.769101268,5.140231185,14.47221654,5.497242998,9.302223131,10.92010313,7.644154195,6.139847838,9.173557378,8.327035388,4.106918235,2.494133694,3.065213169,6.14E-10,5.19E-41,8.78E-94,2.87E-168,1.81E-264,0,0,0,0,0,0,0,0,0,0,0,2.375403211,3.965876129,1.827710304,9.155307939,2.307399072,4.379213205,3.853237744,3.292506969,3.767102843,2.745877492,3.638417575,1.163245666,0.565207237,0.603182441,1.21E-10,1.02E-41,1.73E-94,5.66E-169,3.57E-265,0,0,0,0,0,0,0,0,0,0,0,5.562940625,1.653226056,0.807168738,0.693345141,0.206052218,0.593473609,0.401134089,0.321255256,8.023335419,15.02146255,30.46816612,0.540017711,1.315862954,3.967697043,1.013728835,0.388719753,0.738843472,0.1887712,0.308181992,0.15396569,0.074048634,5.370145631,5.95854754,12.89218967,0.608265208,0.536196316,4.531623594,1.24349298,0.537386479,0.717880618,0.196988892,0.398123962,0.230381308,0.141881045,6.312503054,8.738511691,18.07921019,0.576820927,0.770386315,5.515647553,1.634658595,0.794842177,0.694215807,0.205742993,0.583639784,0.392460473,0.311473723,7.945148326,14.69956559,29.8111705,0.54132371,1.287573981,4.810332517,1.355350046,0.610521553,0.709886012,0.200016119,0.446974048,0.272670012,0.183327511,6.776204116,10.28396649,21.04057846,0.564829018,0.902971571,5.714102353,1.712456578,0.8465442,0.690684289,0.206990841,0.625470669,0.42939033,0.353519587,8.273103131,16.07206255,32.62872949,0.536026433,1.408380586,5.518390833,1.636594671,0.795500179,0.694094808,0.205848389,0.584188659,0.393360536,0.312013249,7.950485683,14.72316128,29.85810264,0.541142212,1.289562445 +UMLKV0144,L,P-CYNENE,CC1=CC=C(C=C1)C(C)C,C10H14,Aromatic (single ring),Aromatics,99-87-6,3.014834078,UML,P-cymene,0.8074,0,2.2271,4.95997441,48.2855,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2126.719909,1982.460659,1272.316758,697.287531,421.79189,148.333248,18.289152,4670.34144,5841.481647,8080.20575,8578.927599,6803.264279,4249.12541,2367.4049,1470.09063,559.5073998,169.463656,175.052008,300.845524,364.457612,400.658136,312.780396,166.87892,105.566976,120.932352,34.11358067,43.47862034,62.52810234,69.86822116,60.81446311,40.41907011,22.04859796,14.69637043,8.003032287,3856.790689,3411.659229,6375.036452,7774.00066,9174.123052,7511.022367,4003.826014,2392.223529,3328.517736,49.33333333,59.55555556,87.66666667,107.4444444,103.2222222,70,36,27,18,60.70275442,67.17251842,50.63618831,38.87177763,22.32134663,15.49527847,17.57466208,9.8888832,1.016064,194.59756,243.3950686,192.3858512,168.2142666,119.3555137,94.42500911,98.64187085,98.00604198,31.08374443,7.060985667,7.293833667,7.162988667,7.146227686,7.029090105,6.950675467,6.953288333,7.0377984,6.718464,1.421399194,1.811609181,1.488764342,1.369965121,1.066920405,0.898201558,0.918691582,0.979758029,0.444612905,160.6996121,142.1524679,151.7865822,152.4313855,160.9495272,166.9116082,166.8260839,159.4815686,184.917652,2.055555556,2.481481481,2.087301587,2.106753813,1.810916179,1.555555556,1.5,1.8,1,0.049285068,-0.003402752,2.96E-04,-0.019867303,-0.022847155,0.010028907,0.011904254,-0.012516513,0.011762161,706.2183858,-1.07E-13,136.1992601,-320.3204821,-295.0983969,-2.522208521,40.35533633,-290.0539799,378.3312781,1313.243245,1.85E-13,253.2683401,-595.6496147,-548.7480703,-4.690154447,75.04247115,-539.3677614,703.523167,0.138343333,2.23E-15,0.0266805,-0.062748583,-0.05780775,-4.94E-04,0.007905333,-0.056819583,0.0741125,5.870808328,1.37E-14,1.13222732,-2.66283092,-2.453159194,-0.020967173,0.335474762,-2.411224849,3.14507589,31.89032402,-1.08E-13,6.150276775,-14.46453982,-13.32559968,-0.113894014,1.822304229,-13.09781165,17.08410215,4.87037037,-1.240740741,2.143518519,-1.331018519,-2.604166667,-0.891203704,1.518518519,-2.377314815,2.347222222,0.002053545,-1.42E-04,7.04E-06,-3.90E-04,-4.01E-04,2.23E-04,4.96E-04,-8.34E-04,6.53E-04,29.42576608,-4.44E-15,3.242839527,-6.280793768,-5.177164859,-0.056049078,1.681472347,-19.33693199,21.01840434,54.71846854,7.70E-15,6.030198574,-11.67940421,-9.627159127,-0.104225654,3.126769631,-35.95785076,39.08462039,0.005764306,9.28E-17,6.35E-04,-0.001230364,-0.001014171,-1.10E-05,3.29E-04,-0.003787972,0.004117361,0.244617014,5.71E-16,0.026957793,-0.052212371,-0.043037881,-4.66E-04,0.013978115,-0.160748323,0.174726438,1.328763501,-4.51E-15,0.146435161,-0.283618428,-0.23378245,-0.002530978,0.075929343,-0.873187443,0.949116786,0.202932099,-0.051697531,0.051036155,-0.026098402,-0.045687135,-0.019804527,0.063271605,-0.158487654,0.130401235,-0.069042259,0.00343039,-0.189698818,-0.195188014,0.108526793,0.241538759,-0.406338507,0.318207557,-1.51E-16,0.110204082,-0.213445378,-0.17593985,-0.001904762,0.057142857,-0.657142857,0.714285714,1.41E-16,0.110204082,-0.213445378,-0.17593985,-0.001904762,0.057142857,-0.657142857,0.714285714,1.61E-14,0.110204082,-0.213445378,-0.17593985,-0.001904762,0.057142857,-0.657142857,0.714285714,2.34E-15,0.110204082,-0.213445378,-0.17593985,-0.001904762,0.057142857,-0.657142857,0.714285714,-3.40E-15,0.110204082,-0.213445378,-0.17593985,-0.001904762,0.057142857,-0.657142857,0.714285714,-0.254752852,0.251493753,-0.128606576,-0.225135081,-0.097591888,0.311787072,-0.780988593,0.642585551,1.158498124,0.913373931,1.259193342,1.235210956,0.979917383,0.623083053,1.072253381,0.004132155,1.15,0.93877551,1.23697479,1.106766917,0.876190476,0.821428571,1.577142857,0,1.15,0.93877551,1.23697479,1.106766917,0.876190476,0.821428571,1.577142857,0,1.15,0.93877551,1.23697479,1.106766917,0.876190476,0.821428571,1.577142857,0,1.15,0.93877551,1.23697479,1.106766917,0.876190476,0.821428571,1.577142857,0,1.15,0.93877551,1.23697479,1.106766917,0.876190476,0.821428571,1.577142857,0,1.442965779,0.662140141,1.183180497,1.261156694,0.967807351,0.393536122,1.888973384,0,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,48.20642229,23.94987781,36.25686402,48.10242229,4.810242229,23.94987781,-0.173333333,0.327350035,0.032735004,-1.116725237,62.94720677,6.294720677,4.142296387,0,11.89,12.11015511,-0.1516392,0.071609308,5.925361354,8.915569697,10,24,21,18,4,3,0,0,0,6,15.304898,3.823473119,3.269532186,2.72417595,2.619181914,2.333552793,2.03423475,1.208656838,0.941428501,2.010155309,1.706442598,1.344886195,1.249629723,1.082250302,0.75545327,0.431896806,0.310513972,3.834368761,3.296501826,2.763929326,2.645815032,2.405454588,2.09041174,1.307107336,1.053336623,1.978530921,1.639567799,1.254436901,1.134540686,1.007167592,0.659785591,0.284416005,0.150156259,3.884550649,3.420774242,2.945651656,2.771820215,2.704236987,2.321654126,1.715238132,1.517793787,1.895088756,1.446511978,0.982853538,0.798620231,0.76031856,0.364891188,0.209063308,0.396843083,3.842505949,3.316703901,2.793650836,2.665925019,2.457539916,2.130959572,1.3785471,1.134811365,1.959333563,1.597168741,1.196073579,1.058262671,0.960278991,0.598058675,0.185560998,0.041902902,3.91061153,3.483988683,3.036663921,2.838982085,2.838078588,2.425693774,1.896403367,1.721464227,1.871444508,1.388505361,0.898762531,0.738564276,0.631337262,0.265461596,0.383723076,0.594311107,3.846903513,3.293825076,2.846399753,2.748161606,2.556211565,2.181511415,1.39678778,1.248880791,1.958493972,1.587802241,1.116493412,0.949068708,0.866482806,0.545489769,0.122074907,0.083726123,0,0,0,4,2,3,0,1,0,0,0,0,0.083333333,0.131445856,0,0,0,0.027777778,0.043815285,0.788675135,0,0.166666667,0,0.551566846,0,0.096225045,0,1.448688405,1.404193779,1.498266827,0.829344624,0.654083483,0.604819519,7.560477932,4.698377303,4.263968845,3.003322558,1.952529745,1.449135293,0.919957418,0.19245009,0.756047793,0.46983773,0.327997603,0.21452304,0.13946641,0.090570956,0.076663118,0.048112522,6.886751346,3.764742878,3.065384141,1.744016936,0.951353092,0.607122402,0.391191771,0.06415003,0.688675135,0.376474288,0.23579878,0.124572638,0.067953792,0.03794515,0.032599314,0.016037507,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.83802,44.171,41.38554761,57.2454538,82.77109522,8.277109522,41.38554761,0.164516426,0.016451643,-1.804744859,43.26675075,4.326675075,3.767384459,88,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,4,0,0,0,0,0,0,0,0,3,0,0,0,0,4,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.47222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.523888889,0,0.93125,0,0,1.523888889,0,0,0,0,0,0,0,0,6.541111111,0,0,0,0,8.712962963,0.653333333,0,0,0,2.759259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.337407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375347222,0,0.285972222,0,0,0.375347222,0,0,0,0,0,0,0,0,2.115185185,0,0,0,0,2.162037037,0.653333333,0,0,0,1.337407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.194444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.386597222,0,0.359305556,0,0,0.386597222,0,0,0,0,0,0,0,0,2.212962963,0,0,0,0,2.194444444,0.653333333,0,0,0,1.421851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.66666667,1.866666667,0.386597222,2.212962963,0.121944444,0.653333333,6.260454444,0.68,0.212962963,2.508148148,0.68,0.212962963,2.508148148,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.3,0.3,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.98832,0.69883,11.95289,4.96457,0.49646,2.70145,0.27014,4.69836,1.99691,0.19969,0.21564,0.02156,0.30164,0.03016,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.367492461,2.990601563,3.240601563,3.272055209,3.188721876,23.51685016,56.81981907,71.77443751,77.77443751,78.52932501,76.52932501,0.213713581,0.516360267,0.652263036,0.706789109,0.713649285,0.695473927,3.605093744,2.21747004,1.594360938,1.344360938,1.312907292,1.396240625,0.206076118,0.497907145,0.628953169,0.681530649,0.688145662,0.670619836,6.772325919,17.88939319,19.43339272,22.43339272,20.63306334,20.54907792,37.92632204,26.78820795,24.54912344,20.08671719,22.1198,22.33521355,8.1,3.408284024,2.285714286,2,6,0,2.56,1.28,0.721124785,3.888322594,3.867776753,0,3.301927249,7.065551058,0,1.310370697,0,0,0,0,0,0,0,0,0,0,0,0.003,0.147,0.132,0.49,0.657,4.666,13,14,14,16,12,4,0,0,0,93,2.63905733,3.157000421,3.590439381,3.986666548,4.466626252,4.1763085,3.446011397,0,0,0,5.7531677,3.378360215,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,6,1,2.5,1.333333333,0.5,0.382222222,0.236111111,0,0,0,0,0,0.25,0.102564103,0.045454545,0.063703704,0.078703704,0,0,0,0,0,0.540426055,24.79457074,37.39674508,49.58914148,4.958914148,24.79457074,0.015455772,0.001545577,-4.169772747,91.09660652,9.109660652,4.511920553,0,150.3504702,4.321928095,3.850147602,4.615120517,5.424950017,6.216606101,7.027314514,7.824445931,8.635331719,9.43356392,10.24448525,83.27196557,3.044522438,0,4.290459441,0,5.733341277,0,7.25629724,0,8.815963561,9.055672892,134.1095504,5.587897935,19.38570823,1.938570823,0,0,0,120,11,3.834,46,1.235929323,2.155114745,3.005584582,3.7271005,4.548111905,5.595663245,6.669378682,7.027030183,0,0,92.76161773,120.3296862,124.7880974,93.20469372,77.66654732,107.350237,66.21312854,7.139912396,0,0,323.5789178,444.8255627,527.7268846,476.0769814,455.3360163,576.0966087,655.6036105,218.4264103,0,0,9.045833162,15.49833667,21.52645001,26.27952167,31.69263058,38.95649931,46.94711524,47.21084931,0,0,2.362509317,3.387415228,4.250943409,4.175138544,4.259345903,5.283090959,6.550084093,3.124308302,0,0,173.7497847,322.8172038,454.738142,593.8649743,753.0492902,930.1286139,1062.896412,1299.421922,0,0,3.145468642,4.686431591,6.477988407,6.974434916,7.267088984,8.563075774,12.02836203,7.027030183,0,0,0.486472119,0.703875269,0.891754348,0.889512086,0.918300826,1.13624445,1.420340486,0.719567891,0,0,297.2982067,150.7370022,10.56391736,97.86820334,-49.62142136,-5.052360291,199.4300033,200.3584236,15.61627765,0.752336735,0.381451961,0.026732832,0.247663265,-0.12557095,-0.012785399,117.482265,59.56620002,4.174505298,38.67422657,-19.60871894,-1.996523078,0.122372365,0.115675334,1.377927834,1.087712147,395.16641,0,1,0,729.0594248,27.00110044,9.00024454,865.5271791,29.41984329,9.530014688,1280.84199,35.78885288,10.86005069,1.800381234,1.800381234,715.4922217,616.3925228,151.2657497,1.160773688,4.730034546,4.074898145,4.359371282,4.340761948,7.720528635,0.778611389,4.231371065,4.843393602,4.797889436,11.40981788,3.859301977,7.190473533,6.122310636,9.07644779,4.42338765,4.321434605,1.918199925,4.21250798,4.367577103,3.24974088,5.79E-04,4.31E-27,8.07E-72,3.02E-138,2.19E-226,0,0,0,0,0,0,0,0,0,0,0,0.355218465,4.769353178,0.356415754,6.981740852,0.496416354,1.010263736,1.367476253,1.474789668,1.108009213,0.340452457,0.087636402,0.441713072,0.36166201,0.022888193,4.08E-06,3.04E-29,5.69E-74,2.13E-140,1.54E-228,0,0,0,0,0,0,0,0,0,0,0,1.146422436,4.774301154,1.180379765,7.623341568,0.855337158,1.858271955,2.212985113,2.709768428,1.54256222,1.044401065,0.331162167,0.851357463,1.17070362,0.238512601,4.25E-05,3.17E-28,5.93E-73,2.22E-139,1.61E-227,0,0,0,0,0,0,0,0,0,0,0,3.994075281,4.83526477,4.496751913,11.04595379,3.537564272,6.665841374,5.786983047,8.499048223,4.134745028,4.03928329,1.760098003,3.854287001,4.119277392,2.895460619,5.16E-04,3.84E-27,7.19E-72,2.69E-138,1.95E-226,0,0,0,0,0,0,0,0,0,0,0,1.689559577,4.780716059,1.770541405,8.141652018,1.198971273,2.563181016,2.830531622,3.65157199,1.912779396,1.559901552,0.53697364,1.239473349,1.728654001,0.518081235,9.22E-05,6.88E-28,1.29E-72,4.82E-139,3.50E-227,0,0,0,0,0,0,0,0,0,0,0,5.109971111,4.87757414,5.946058798,12.862388,5.182107045,9.299044939,7.414109007,11.34150185,5.589381764,5.409757888,2.555850753,5.683464476,5.290394096,4.73944165,8.44E-04,6.29E-27,1.18E-71,4.41E-138,3.20E-226,0,0,0,0,0,0,0,0,0,0,0,2.375413794,3.919233551,2.321934724,8.664242836,1.741403933,3.606731084,3.803252205,4.826192735,2.399911705,2.160744513,0.693538864,1.842422472,2.488688994,0.932642482,1.66E-04,1.24E-27,2.32E-72,8.67E-139,6.29E-227,0,0,0,0,0,0,0,0,0,0,0,6.21280456,1.656985349,0.496589371,0.742591789,0.198052861,0.57223012,0.537395831,0.363705395,8.366379281,14.20258016,27.6811117,0.613887684,1.473331345,4.433847299,0.933659656,0.196853931,0.796829571,0.167792793,0.291438973,0.170491977,0.056796641,5.564360886,5.196319187,11.57559715,0.695244357,0.518727592,5.065684711,1.190576398,0.303318002,0.772257583,0.18150195,0.380421139,0.277335656,0.135238411,6.559579111,7.928721277,16.31763694,0.658386375,0.792995206,6.160379137,1.635670346,0.487756861,0.743665277,0.197453957,0.562613115,0.523652608,0.350841249,8.283806344,13.8789261,27.07754103,0.615497915,1.437106972,5.376594724,1.316993255,0.355703143,0.76271424,0.186826339,0.428553032,0.339403247,0.186189576,7.049291122,9.461869269,19.02987264,0.644071361,0.954145855,6.380277289,1.725075618,0.524804609,0.739300213,0.199889239,0.603497677,0.58249059,0.406355342,8.630157517,15.26018736,29.66658623,0.608950319,1.592343608,6.161976284,1.637762567,0.487597401,0.743541241,0.197622314,0.562907969,0.525002313,0.350685883,8.287336251,13.89498648,27.10308456,0.615311862,1.438596165 +UMLKV0145,L,O-DIETHYLBENZENE,CCC1=CC=CC=C1CC,C10H14,Aromatic (single ring),Aromatics,135-01-3,3.023809831,PubChem,,1.0676,0,1.626,2.643876,49.2166,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2005.6539,2036.980524,1571.850344,839.524395,197.949024,15.24096,0,4670.34144,5841.481647,7855.078337,8302.13778,7475.682637,5532.713573,2476.657473,466.2561665,0,169.463656,175.052008,300.821808,362.08632,342.6344,378.036588,287.76384,100.77696,0,34.11358067,43.47862034,61.52167806,66.86105701,62.83938397,52.44776311,28.03878168,6.669193573,0,3856.790689,3411.659229,6369.569539,7970.238199,7330.027383,8793.739984,7321.409925,2773.76478,0,48.05555556,58.44444444,86,96.91666667,95.33333333,91,56,15,0,60.70275442,67.17251842,47.75366429,39.94079459,32.74688217,15.54674806,4.713072,1.016064,0,194.59756,243.3950686,187.0256747,162.7870153,155.7433883,102.4576588,58.96803508,31.08374443,0,7.060985667,7.293833667,7.162424,7.099731765,7.138216667,7.000677556,6.85152,6.718464,0,1.421399194,1.811609181,1.464801859,1.311001118,1.309153833,0.971254872,0.66759004,0.444612905,0,160.6996121,142.1524679,151.6564176,156.2791804,152.7089038,162.8470367,174.3192839,184.917652,0,2.002314815,2.435185185,2.047619048,1.900326797,1.986111111,1.685185185,1.333333333,1,0,0.05009305,-0.002638831,-0.010632331,0.001211528,-0.023348571,-0.012083861,0.008934377,0.013511164,0,706.2183858,-4.97E-14,15.13325113,103.4105494,-544.7970405,-418.6866145,176.5545965,315.2760651,0,1313.243245,2.42E-13,28.14092668,192.2963323,-1013.07336,-778.5656381,328.3108113,586.2693058,0,0.138343333,2.23E-15,0.0029645,0.020257417,-0.106722,-0.082017833,0.034585833,0.061760417,0,5.870808328,1.35E-14,0.125803036,0.859654077,-4.528909282,-3.480550652,1.467702082,2.620896575,0,31.89032402,-1.08E-13,0.683364086,4.669654588,-24.6011071,-18.90640638,7.972581004,14.23675179,0,4.49537037,-0.384259259,0.114583333,0.870949074,-2.564814815,-2.295138889,0.202546296,1.808449074,0,0.00208721,-1.10E-04,-2.53E-04,2.38E-05,-4.86E-04,-2.24E-04,2.13E-04,9.01E-04,0,29.42576608,-2.07E-15,0.360315503,2.02765783,-11.34993834,-7.753455823,4.203680868,21.01840434,0,54.71846854,1.01E-14,0.670022064,3.77051632,-21.10569501,-14.41788219,7.816924078,39.08462039,0,0.005764306,9.31E-17,7.06E-05,3.97E-04,-0.002223375,-0.001518849,8.23E-04,0.004117361,0,0.244617014,5.62E-16,0.00299531,0.016855962,-0.094352277,-0.064454642,0.034945288,0.174726438,0,1.328763501,-4.51E-15,0.016270573,0.091561855,-0.512523065,-0.350118637,0.189823357,0.949116786,0,0.187307099,-0.016010802,0.002728175,0.017077433,-0.053433642,-0.042502572,0.004822531,0.120563272,0,-0.052678578,-0.121286643,0.011381435,-0.233051999,-0.107212576,0.101917499,0.43155412,0,-7.04E-17,0.012244898,0.068907563,-0.385714286,-0.263492063,0.142857143,0.714285714,0,1.84E-16,0.012244898,0.068907563,-0.385714286,-0.263492063,0.142857143,0.714285714,0,1.62E-14,0.012244898,0.068907563,-0.385714286,-0.263492063,0.142857143,0.714285714,0,2.30E-15,0.012244898,0.068907563,-0.385714286,-0.263492063,0.142857143,0.714285714,0,-3.40E-15,0.012244898,0.068907563,-0.385714286,-0.263492063,0.142857143,0.714285714,0,-0.085478888,0.014565249,0.091173442,-0.285272915,-0.226913835,0.025746653,0.643666323,0,1.147997249,1.038829437,0.942369913,1.302827722,1.117550233,0.757938881,0.135965859,0,1.15,1.032653061,0.927731092,1.396428571,1.168253968,0.657142857,0,0,1.15,1.032653061,0.927731092,1.396428571,1.168253968,0.657142857,0,0,1.15,1.032653061,0.927731092,1.396428571,1.168253968,0.657142857,0,0,1.15,1.032653061,0.927731092,1.396428571,1.168253968,0.657142857,0,0,1.15,1.032653061,0.927731092,1.396428571,1.168253968,0.657142857,0,0,1.255406797,0.937325291,0.810928697,1.308702369,1.231719876,0.852729145,0,0,39.82915254,19.91457627,26.99552793,39.82915254,3.982915254,19.91457628,-3.55E-15,4.44E-16,4.44E-17,-35.35050621,57.92265274,5.792265274,4.059108547,39.82915254,19.91457627,26.99552793,39.82915254,3.982915254,19.91457628,-3.55E-15,4.44E-16,4.44E-17,-35.35050621,57.92265274,5.792265274,4.059108547,39.82915254,19.91457627,26.99552793,39.82915254,3.982915254,19.91457628,-3.55E-15,4.44E-16,4.44E-17,-35.35050621,57.92265274,5.792265274,4.059108547,39.82915254,19.91457627,26.99552793,39.82915254,3.982915254,19.91457628,-3.55E-15,4.44E-16,4.44E-17,-35.35050621,57.92265274,5.792265274,4.059108547,39.82915254,19.91457627,26.99552793,39.82915254,3.982915254,19.91457628,-3.55E-15,4.44E-16,4.44E-17,-35.35050621,57.92265274,5.792265274,4.059108547,39.82915254,19.91457627,26.99552793,39.82915254,3.982915254,19.91457628,-3.55E-15,4.44E-16,4.44E-17,-35.35050621,57.92265274,5.792265274,4.059108547,46.62438538,22.97525521,31.85780542,46.56660761,4.656660761,22.97525521,-0.144444444,0.040323678,0.004032368,-3.210816427,69.17644539,6.917644539,4.23666042,0,11.89,12.11015511,-0.156849162,0.065468159,5.67659641,9.073758544,10,24,21,18,4,3,0,0,0,6,15.304898,3.826287613,3.077096534,3.073783289,2.527852499,2.381856673,1.692831666,1.473685407,0.752380606,2.010336631,1.633870482,1.569961949,1.050359384,1.006726464,0.785382394,0.564797783,0.239968967,3.836936761,3.113793731,3.104992317,2.560897017,2.422994678,1.780730424,1.565333455,0.881137192,1.978997445,1.553310243,1.496172287,0.969186659,0.912586583,0.653237904,0.436616072,0.072414489,3.886174919,3.278814967,3.248493654,2.709393916,2.604724999,2.144314002,1.936456256,1.398381397,1.896549565,1.31212228,1.2780418,0.739776898,0.641301459,0.211825867,0.003952014,0.509010678,3.844900291,3.141086444,3.128371843,2.585392127,2.453330284,1.84440781,1.631267922,0.97377569,1.959991471,1.501525794,1.448881961,0.918292227,0.853058781,0.564668781,0.350655816,0.041315244,3.911850018,3.360100373,3.320902625,2.783993946,2.694220743,2.305979731,2.097389966,1.618359911,1.873287573,1.236634162,1.21133905,0.671209452,0.558483016,0.056126503,0.152366896,0.724252643,3.857069384,3.162439397,3.149743435,2.672826554,2.506781008,1.889780759,1.686414948,1.101002842,1.955724007,1.473373878,1.380822206,0.821890442,0.782907377,0.48380315,0.266833067,0.179540217,0,0,0,4,2,2,2,0,0,0,0,0,0.083333333,0.11785113,0,0,0,0.027777778,0.03928371,0.333333333,0,0.083333333,0,0.204124145,0,0.041666667,0,1.040440115,1.609475708,1.609475708,0.584163973,0.811834874,0.700446883,7.397341225,4.880540058,3.621112942,3.115251371,2.359372008,1.561834874,0.606493072,0.277368927,0.739734123,0.488054006,0.301759412,0.207683425,0.14746075,0.104122325,0.075811634,0.055473785,6.723614639,3.948670613,2.47581711,1.880189288,1.2473215,0.692209362,0.225176222,0.092456309,0.672361464,0.394867061,0.206318092,0.125345953,0.077957594,0.046147291,0.028147028,0.018491262,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.8114,45.198,43.86422515,62.93606994,87.7284503,8.77284503,43.86422515,1.67E-16,1.67E-17,-36.33133546,65.76402323,6.576402323,4.186072929,80,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,4,0,0,4,0,0,0,0,0,0,0,0,2,0,2,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.61407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.576805556,0,1.290555556,0,0,1.576805556,0,0,0,0,0,0,0,0,4.405740741,0,2.313518519,0,0,8.632592593,0,0,0,0,2.981481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.490740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.285972222,0,0,0.380972222,0,0,0,0,0,0,0,0,2.20287037,0,1.156759259,0,0,2.10912037,0,0,0,0,1.490740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.207175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.407430556,0,0.359305556,0,0,0.407430556,0,0,0,0,0,0,0,0,2.20287037,0,1.156759259,0,0,2.207175926,0,0,0,0,1.490740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.33333333,1.833333333,0.407430556,2.207175926,0.116319444,1.156759259,6.195837407,0.343240741,0.207175926,2.076666667,0.343240741,0.207175926,2.076666667,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.81301,0.6813,11.60458,4.79158,0.47916,2.90022,0.29002,4.88053,1.9803,0.19803,0.03347,0.00335,0.11947,0.01195,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.284159128,2.855388542,3.022055209,3.022055209,3.022055209,23.51685016,54.81981907,68.52932501,72.52932501,72.52932501,72.52932501,0.213713581,0.498184909,0.622772496,0.659123212,0.659123212,0.659123212,3.605093744,2.300803373,1.729573959,1.562907292,1.562907292,1.562907292,0.206076118,0.480381319,0.60051653,0.635568183,0.635568183,0.635568183,6.772325919,16.88939319,19.29712166,19.4650925,19.4650925,19.4650925,37.92632204,28.0806892,24.37142917,23.84310834,23.84310834,23.84310834,8.1,4,1.991111111,2,6,2,2.56,1.28,0.2,3.820639317,1.632993162,0,6.678722918,7.065551058,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.894,12,15,16,15,8,5,2,1,0,94,2.63905733,3.113515309,3.630985476,4.040855877,4.404430044,3.944006051,3.662760043,2.784239339,2.151035195,0,5.800039176,3.503324468,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,0,3,5,0.666666667,1.5,1.111111111,0.5,0.382222222,0.125,0,0,0,0,0,0.15,0.092592593,0.041666667,0.047777778,0.041666667,0,0,0,0,0,0.373703704,24.21752584,32.64616533,48.43505169,4.843505169,24.21752584,3.89E-16,3.89E-17,-35.4840376,44.53434318,4.453434318,3.796260648,0,150.3504702,4.321928095,3.80666249,4.59511985,5.398162702,6.204557763,7.01301579,7.822044008,8.631414336,9.440896383,10.25044039,83.16231371,3.044522438,0,4.234106505,0,5.673323267,0,7.218909708,0,8.808518619,9.041092975,134.1095504,5.587897935,19.56950894,1.956950894,0,0,0,117,12,3.794,44,1.235929323,2.155957082,2.970930824,3.81435209,4.406040861,4.834494033,4.692617447,0,0,0,92.76161773,112.7642324,127.6916724,131.9807635,69.12811475,21.90307864,4.767999654,0,0,0,323.5789178,429.7672866,510.4212114,613.291688,456.7010888,278.4264134,145.8641214,0,0,0,9.045833162,15.49612319,21.15756715,27.26735118,30.87121719,33.09188058,31.52718139,0,0,0,2.362509317,3.315607101,4.061465685,5.107999862,4.322127163,3.174249655,2.086398275,0,0,0,173.7497847,323.1511724,459.5784243,579.6896462,715.438378,845.2746918,867.7478002,0,0,0,3.099754555,4.559745349,5.81065983,7.72938987,7.511048437,6.366446654,4.692617447,0,0,0,0.486472119,0.690463454,0.851164788,1.077299775,0.931882061,0.70584887,0.480524027,0,0,0,277.9192924,142.1751233,10.72528108,95.79259235,-49.00459955,-5.033902765,182.1267001,191.1797229,15.75918384,0.743672609,0.380440465,0.028699331,0.256327391,-0.131129358,-0.01347001,103.8617426,53.13253331,4.008165006,35.79883023,-18.31360126,-1.88122929,0.121267934,0.120188802,3.050224322,2.078876659,373.7118847,0,1,0,729.0594248,27.00110044,9.00024454,865.5271791,29.41984329,9.530014688,1301.910221,36.08199303,10.91927186,1.349953873,1.349953873,587.9536888,392.7083428,261.9109184,1.497176466,2.244861315,1.499396609,4.288622833,4.001863032,6.697982109,0.673715981,4.231360714,4.769139419,3.789941911,14.41020219,9.165238807,6.773026915,9.479119314,8.781229092,5.495860591,6.987007593,3.786320957,0.971326219,1.67E-04,1.24E-28,2.41E-74,9.42E-142,7.16E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0.355218392,4.7688302,0.280150629,5.668710036,2.835733217,1.871706453,0.607640767,1.673110364,1.271873487,0.366803201,0.169337606,0.00684113,1.17E-06,8.77E-31,1.70E-76,6.63E-144,5.05E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,1.146421676,4.768851318,0.928701099,6.698684722,3.628089961,2.600003852,2.00131657,2.864678381,1.926555473,1.328765014,0.64444197,0.071289849,1.22E-05,9.14E-30,1.77E-75,6.91E-143,5.26E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,3.994066058,4.76910563,3.551063871,13.60819019,8.600998365,6.376688061,8.788428546,8.254325522,5.163856069,6.443979678,3.471780723,0.865434174,1.48E-04,1.11E-28,2.15E-74,8.39E-142,6.38E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,1.689557927,4.768878285,1.394063492,7.629712251,4.3203686,3.180769081,3.081901319,3.759659018,2.437592255,2.104731588,1.048735467,0.154851078,2.65E-05,1.98E-29,3.84E-75,1.50E-142,1.14E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,5.109956015,4.769281393,4.701662612,17.68269584,11.45505655,8.349814011,12.20400826,10.83629067,6.808481183,9.153993222,5.056642535,1.416588004,2.43E-04,1.82E-28,3.51E-74,1.37E-141,1.04E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,2.351929816,4.135677306,1.922961349,8.355182968,5.304422198,4.119395092,4.543525753,5.098589703,3.41973114,3.301062045,1.678633451,0.288989619,4.95E-05,3.70E-29,7.17E-75,2.80E-142,2.13E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,3.53121316,2.65796621,0.57565714,0.521995344,0.392909157,0.484742305,0.568160603,0.377422206,6.76483651,12.94869055,25.1165559,0.372356751,1.430325115,2.813321115,1.704281462,0.252108883,0.589830462,0.357313325,0.307941174,0.23309932,0.072255132,4.76971146,5.933618761,11.91211442,0.420715681,0.613295626,3.068154532,2.04311347,0.367070074,0.560052061,0.372944028,0.366100248,0.335261281,0.153294786,5.478338075,8.144781373,15.92413045,0.399494134,0.854656315,3.510037451,2.629877104,0.566127432,0.523414178,0.39216532,0.478950121,0.5561863,0.365014341,6.706041987,12.70694119,24.63888689,0.373369247,1.400150763,3.193604785,2.209804093,0.42361952,0.548067482,0.379233452,0.396587178,0.392348075,0.204232679,5.827028398,9.346230403,18.16284382,0.390951401,0.993167932,3.598868489,2.747688442,0.606097963,0.517625072,0.395199889,0.503484869,0.607262289,0.418447837,6.952654893,13.73520458,26.68130121,0.369237441,1.529194996,3.520236873,2.630076711,0.565376325,0.524180973,0.391631649,0.481766293,0.556248174,0.364006186,6.715689909,12.73573471,24.68595738,0.373718933,1.402020654 +UMLKV0146,L,M-DIETHYLBENZENE,CCC1=CC(=CC=C1)CC,C10H14,Aromatic (single ring),Aromatics,141-93-5,3.023780854,PubChem,,0.9746,0,1.626,2.643876,49.2166,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2005.6539,1915.914515,1384.238191,884.899684,376.416601,90.93168,9.144576,4670.34144,5841.481647,7855.078337,8077.010367,6748.637992,4976.170055,2923.948418,1247.927098,279.7536999,169.463656,175.052008,300.821808,362.062604,340.215676,315.19912,229.716388,163.638144,60.466176,34.11358067,43.47862034,61.52167806,65.85463273,57.81937125,45.43908282,29.05727825,14.68429815,4.001516144,3856.790689,3411.659229,6369.569539,7964.771286,7515.331096,7325.718654,5471.847343,4247.253023,1664.258868,48.05555556,58.33333333,86.44444444,99,90.91666667,74,51,30,9,60.70275442,67.17251842,47.75366429,37.56695127,28.83829565,19.66443742,11.40656367,3.78882,1.016064,194.59756,243.3950686,187.0256747,158.3727523,140.5966248,110.5815568,88.60449753,51.99696242,31.08374443,7.060985667,7.293833667,7.162424,7.099266745,7.087826583,7.004424889,6.961102667,6.818256,6.718464,1.421399194,1.811609181,1.464801859,1.291267308,1.204570234,1.009757396,0.880523583,0.611845756,0.444612905,160.6996121,142.1524679,151.6564176,156.171986,156.5693978,162.7937479,165.8135559,176.9688759,184.917652,2.002314815,2.430555556,2.058201058,1.941176471,1.894097222,1.644444444,1.545454545,1.25,1,0.050038363,-0.002252934,-0.008460761,-0.009773565,-0.016699774,0.002214172,-0.00371096,0.008783889,0.004880752,706.2183858,-7.82E-14,15.13325113,-17.65545965,-363.198027,-184.121222,-194.2100561,201.7766817,189.1656391,1313.243245,2.42E-13,28.14092668,-32.83108113,-675.3822403,-342.3812746,-361.1418924,375.2123557,351.7615835,0.138343333,2.23E-15,0.0029645,-0.003458583,-0.071148,-0.036068083,-0.038044417,0.039526667,0.03705625,5.870808328,1.35E-14,0.125803036,-0.146770208,-3.019272855,-1.5306036,-1.61447229,1.677373808,1.572537945,31.89032402,-1.08E-13,0.683364086,-0.7972581,-16.40073807,-8.314263047,-8.769839104,9.111521147,8.542051076,4.49537037,-0.49537037,0.559027778,0.259837963,-2.939814815,-0.602430556,-0.924189815,0.810185185,1.085069444,0.002084932,-9.39E-05,-2.01E-04,-1.92E-04,-3.48E-04,4.92E-05,-1.12E-04,3.66E-04,5.42E-04,29.42576608,-3.26E-15,0.360315503,-0.346185483,-7.566625562,-4.091582712,-5.885153215,8.407361736,21.01840434,54.71846854,1.01E-14,0.670022064,-0.643746689,-14.07046334,-7.608472769,-10.94369371,15.63384816,39.08462039,0.005764306,9.31E-17,7.06E-05,-6.78E-05,-0.00148225,-8.02E-04,-0.001152861,0.001646944,0.004117361,0.244617014,5.62E-16,0.00299531,-0.002877847,-0.062901518,-0.034013413,-0.048923403,0.069890575,0.174726438,1.328763501,-4.51E-15,0.016270573,-0.015632512,-0.341682043,-0.184761401,-0.2657527,0.379646714,0.949116786,0.187307099,-0.020640432,0.013310185,0.005094862,-0.061246142,-0.013387346,-0.028005752,0.033757716,0.120563272,-0.04502414,-0.096620273,-0.091915969,-0.166869708,0.023599725,-0.053936218,0.175543092,0.260107178,-1.11E-16,0.012244898,-0.011764706,-0.257142857,-0.139047619,-0.2,0.285714286,0.714285714,1.84E-16,0.012244898,-0.011764706,-0.257142857,-0.139047619,-0.2,0.285714286,0.714285714,1.62E-14,0.012244898,-0.011764706,-0.257142857,-0.139047619,-0.2,0.285714286,0.714285714,2.30E-15,0.012244898,-0.011764706,-0.257142857,-0.139047619,-0.2,0.285714286,0.714285714,-3.40E-15,0.012244898,-0.011764706,-0.257142857,-0.139047619,-0.2,0.285714286,0.714285714,-0.110195675,0.071060762,0.027200582,-0.326982492,-0.071472709,-0.149517835,0.180226571,0.643666323,1.139392832,1.023219236,1.079622031,1.324478752,0.977165269,0.938699789,0.503922097,0,1.15,1.032653061,1.005042017,1.232142857,1.051428571,1.075324675,0.492857143,0,1.15,1.032653061,1.005042017,1.232142857,1.051428571,1.075324675,0.492857143,0,1.15,1.032653061,1.005042017,1.232142857,1.051428571,1.075324675,0.492857143,0,1.15,1.032653061,1.005042017,1.232142857,1.051428571,1.075324675,0.492857143,0,1.15,1.032653061,1.005042017,1.232142857,1.051428571,1.075324675,0.492857143,0,1.279093718,0.883183758,0.9697704,1.379763131,0.947476828,1.046531224,0.639546859,0,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,47.36437185,23.38781855,33.68508962,47.30659407,4.730659407,23.38781855,-0.144444444,6.66E-16,6.66E-17,-34.9450411,4000024.041,400002.4041,15.20181093,0,11.89,12.11015511,-0.156960901,0.065322989,5.558256921,8.602201025,10,24,21,18,4,3,0,0,0,6,15.304898,3.821183088,3.187113103,2.957533536,2.506369281,2.408211274,1.608166766,1.603815697,0.855384625,2.007909421,1.675744272,1.520534873,1.04643109,1.010726892,0.725289572,0.686200459,0.272911904,3.832097664,3.217440143,2.994645901,2.541662255,2.447240048,1.696371143,1.695911688,0.973504521,1.976346355,1.601606812,1.440288491,0.963826287,0.91873368,0.591872591,0.558041529,0.10921766,3.882355278,3.35720401,3.162504313,2.697422216,2.620868137,2.072934023,2.058906935,1.45869598,1.892905126,1.386096379,1.196424465,0.728858084,0.65602962,0.14231256,0.125717527,0.452912596,3.840248665,3.240168173,3.022324042,2.567654668,2.476088112,1.762386402,1.760155049,1.059190678,1.957167475,1.554472888,1.388319553,0.911937169,0.860798102,0.502182141,0.471893803,0.001531568,3.908441391,3.428107175,3.245229397,2.774427119,2.707013602,2.238774667,2.218589849,1.66925518,1.869232078,1.320941753,1.119531764,0.657740328,0.576511551,0.017971902,0.028624583,0.657723944,3.856962273,3.227465597,3.070421639,2.648201686,2.541007049,1.817141377,1.812182168,1.18306542,1.943525969,1.543335035,1.315869829,0.819226463,0.785926279,0.419263867,0.380800473,0.137962042,0,0,0,4,2,2,2,0,0,0,0,0,0.083333333,0.11785113,0,0,0,0.027777778,0.03928371,0.40824829,0,0,0,0.23570226,0,0,0,0.932625685,1.22850154,1.352305361,0.489636154,0.551917411,0.542579092,7.397341225,4.863703305,3.715153309,3.046112076,2.143889804,1.593412989,0.745812289,0.353553391,0.739734123,0.486370331,0.309596109,0.217579434,0.142925987,0.099588312,0.074581229,0.058925565,6.723614639,3.942687549,2.527057686,1.807889833,1.069490284,0.701020891,0.310875228,0.126679943,0.672361464,0.394268755,0.21058814,0.129134988,0.071299352,0.043813806,0.031087523,0.021113324,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.8114,45.198,43.09324379,59.79346001,86.18648758,8.618648758,43.09324379,3.89E-16,3.89E-17,-35.4840376,4000018.863,400001.8863,15.20180963,90,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,4,0,0,4,0,0,0,0,0,0,0,0,2,0,2,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.66148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.54125,0,1.290555556,0,0,1.54125,0,0,0,0,0,0,0,0,4.378518519,0,2.293333333,0,0,8.773796296,0,0,0,0,2.887685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.443842593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0.285972222,0,0,0.363194444,0,0,0,0,0,0,0,0,2.189259259,0,1.146666667,0,0,2.136574074,0,0,0,0,1.443842593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.277777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.39875,0,0.359305556,0,0,0.39875,0,0,0,0,0,0,0,0,2.189259259,0,1.146666667,0,0,2.277777778,0,0,0,0,1.443842593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.33333333,1.833333333,0.39875,2.277777778,0.134097222,1.146666667,6.197808796,0.353333333,0.277777778,2.30462963,0.353333333,0.277777778,2.30462963,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.67902,0.6679,11.50267,4.82364,0.48236,2.89931,0.28993,4.86369,1.96438,0.19644,0.05031,0.00503,0.13631,0.01363,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.284159128,2.938721876,3.272055209,3.355388542,3.272055209,23.51685016,54.81981907,70.52932501,78.52932501,80.52932501,78.52932501,0.213713581,0.498184909,0.640947854,0.713649285,0.731824642,0.713649285,3.605093744,2.300803373,1.646240625,1.312907292,1.229573959,1.312907292,0.206076118,0.480381319,0.618042356,0.688145662,0.705671489,0.688145662,6.772325919,16.88939319,20.29712166,21.54907792,21.63306334,20.63306334,37.92632204,28.0806892,23.07894792,21.0427323,20.82731875,22.1198,8.1,4,2.285714286,2,6,2,2.56,1.28,0.166666667,3.861957538,1.414213562,0,6.603502479,7.412576046,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.894,12,14,15,16,10,6,1,0,0,94,2.63905733,3.113515309,3.590439381,4.027581346,4.440442938,4.07647756,3.725693427,1.802122256,0,0,5.77823265,3.427526596,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,0,3,6,1,2,0.666666667,0.5,0.382222222,0.180555556,0,0,0,0,0,0.2,0.055555556,0.045454545,0.054603175,0.045138889,0,0,0,0,0,0.400752165,25.06409266,36.35559528,50.12818532,5.012818532,25.06409266,2.22E-16,2.22E-17,-36.04365339,4000019.454,400001.9454,15.20180978,0,150.3504702,4.321928095,3.80666249,4.574710979,5.370638028,6.159095388,6.961296046,7.75319427,8.556606194,9.349145335,10.15280554,82.68415427,3.044522438,0,4.234106505,0,5.65248918,0,7.164720379,0,8.719480761,8.961237781,134.1095504,5.587897935,19.5689129,1.95689129,0,0,0,121,11,3.794,44,1.235929323,2.155957118,2.971810538,3.799774681,4.618309803,5.696812287,6.512070774,7.548772374,0,0,92.76161773,112.7646566,120.94984,123.0965996,101.9539536,70.6051698,26.61560324,7.670035854,0,0,323.5789178,429.7682809,497.4731145,571.7486397,549.0176111,522.5150598,353.2592955,234.6441113,0,0,9.045833162,15.4961248,21.15940378,27.01274811,32.46168676,39.70313665,44.47087797,50.71615544,0,0,2.362509317,3.315612513,4.00180521,4.802717414,4.917068935,5.129669507,4.101542969,3.356281613,0,0,173.7497847,323.1510935,459.6605685,589.1970381,743.3130033,941.1254289,1146.865086,1395.901263,0,0,3.093648486,4.590750711,5.92606654,7.380086239,7.828746841,8.918068011,8.315233634,7.548772374,0,0,0.486472119,0.690464497,0.840120244,1.015173092,1.051432538,1.112904854,0.914951257,0.772994291,0,0,306.9655418,157.1849429,10.9210592,89.66010531,-45.91140246,-5.034427789,217.3054365,203.0963453,15.95548699,0.773942744,0.396305544,0.027534929,0.226057256,-0.115755002,-0.012693147,121.7504066,62.34357968,4.331572174,35.56149729,-18.20963971,-1.99678318,0.121664159,0.119644362,2.190848765,1.147609419,396.6256471,0,1,0,729.0594248,27.00110044,9.00024454,865.5271791,29.41984329,9.530014688,1262.242732,35.52805556,10.80722748,1.534866669,1.534866669,740.737183,627.0928508,176.9721251,1.181224092,4.185615009,3.543455504,4.513777929,4.389329297,8.621033032,0.964088919,4.231360714,4.769035699,3.691802671,11.73008266,8.033630783,6.022030283,7.139713855,7.076058136,6.232359651,7.420134298,4.31923933,2.475466921,0.572471613,1.256133305,0.09857933,0.231164319,5.79E-07,2.80E-34,2.61E-83,4.69E-154,1.63E-246,0,0,0,0,0,0,0,0,0,0.355218392,4.768829469,0.279487503,5.583306477,1.860630198,1.763495673,0.5127027,1.547034419,2.310853052,0.342339141,0.260577683,0.069356756,0.24008568,0.010072389,0.001034192,0.001628109,4.08E-09,1.97E-36,1.84E-85,3.31E-156,1.15E-248,0,0,0,0,0,0,0,0,0,1.146421676,4.768843705,0.92157037,6.32935028,2.481358468,2.42232696,1.629711524,2.465107818,3.073723379,1.28967198,0.812930845,0.315081644,0.263699797,0.095341212,0.008108408,0.016966153,4.25E-08,2.06E-35,1.92E-84,3.45E-155,1.20E-247,0,0,0,0,0,0,0,0,0,3.994066058,4.769013218,3.463642908,11.17383993,7.429556437,5.68688395,6.650628205,6.663100895,5.978988749,6.810874506,3.973093742,2.241347416,0.536475036,1.120035879,0.088066443,0.205963247,5.16E-07,2.49E-34,2.33E-83,4.18E-154,1.45E-246,0,0,0,0,0,0,0,0,0,1.689557927,4.76886175,1.378505503,6.992512973,3.097294157,2.937073943,2.466488886,3.157843641,3.608572015,2.087673457,1.274085623,0.556632422,0.293043823,0.204078574,0.016776155,0.036852752,9.23E-08,4.46E-35,4.16E-84,7.48E-155,2.60E-247,0,0,0,0,0,0,0,0,0,5.109956015,4.769130128,4.558444174,13.99390914,10.5270426,7.347449482,9.045255025,8.689612983,7.185578161,9.875740992,5.711765798,3.440882709,0.723518033,1.827955654,0.142660062,0.337131435,8.45E-07,4.08E-34,3.81E-83,6.85E-154,2.37E-246,0,0,0,0,0,0,0,0,0,2.35192853,4.134393285,1.813620252,7.568372385,4.382097001,3.970114796,3.620928264,3.975932942,4.047202973,2.971887517,1.929546242,0.937228758,0.383568744,0.378467598,0.03064474,0.068776161,1.72E-07,8.33E-35,7.77E-84,1.40E-154,4.84E-247,0,0,0,0,0,0,0,0,0,6.463346586,1.704480258,0.559525116,0.740585073,0.195303256,0.573888824,0.371788391,0.366078081,8.72735196,15.58675092,30.47819337,0.610877609,1.311755296,4.439578269,1.103844243,0.236057223,0.768162269,0.190993704,0.271925271,0.155939378,0.065905561,5.779479735,6.209167838,13.14547029,0.652243404,0.49377021,5.158040446,1.317180164,0.351281576,0.755590536,0.192950962,0.366333762,0.222033602,0.145536744,6.826502185,9.068694259,18.28182755,0.633385804,0.733904108,6.40367332,1.68678032,0.550027203,0.741124648,0.195218339,0.563386178,0.364107445,0.353903885,8.640480843,15.25155972,29.83320897,0.611686971,1.281397509,5.511728572,1.42215406,0.407822608,0.750742286,0.193708956,0.417981733,0.258831176,0.1957457,7.341705239,10.66632126,21.20475509,0.626113428,0.872558608,6.653981872,1.761022426,0.589856381,0.73893224,0.195563539,0.608092175,0.396862152,0.406297403,9.004860679,16.68145528,32.59814172,0.60839836,1.41125173,6.402860356,1.689894174,0.549391401,0.740887785,0.195541037,0.563143253,0.365453099,0.352753126,8.642145931,15.26624616,29.85289298,0.611331677,1.281349478 +UMLKV0147,L,P-DIETHYLBENZENE,CCC1=CC=C(C=C1)CC,C10H14,Aromatic (single ring),Aromatics,105-05-5,3.023772574,PubChem,,0.9768,0,1.626,2.643876,49.2166,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2005.6539,1915.914515,1263.172182,697.287531,421.79189,269.399257,84.835296,4670.34144,5841.481647,7855.078337,8077.010367,6523.510579,4249.12541,2367.4049,1695.218043,1061.424631,169.463656,175.052008,300.821808,362.062604,340.19196,312.780396,166.87892,105.590692,123.32736,34.11358067,43.47862034,61.52167806,65.85463273,56.81294697,40.41907011,22.04859796,15.70279472,12.01662072,3856.790689,3411.659229,6369.569539,7964.771286,7509.864184,7511.022367,4003.826014,2397.690441,3137.747111,48.05555556,58.33333333,86.33333333,99.44444444,93,69.58333333,34,25,24,60.70275442,67.17251842,47.75366429,37.56695127,26.31608712,15.49527847,17.57466208,17.95995047,4.713072,194.59756,243.3950686,187.0256747,158.3727523,135.9064704,94.42500911,98.64187085,113.0145362,58.96803508,7.060985667,7.293833667,7.162424,7.099266745,7.0873325,6.950675467,6.953288333,7.039379467,6.85152,1.421399194,1.811609181,1.464801859,1.291267308,1.183603062,0.898201558,0.918691582,1.046852981,0.66759004,160.6996121,142.1524679,151.6564176,156.171986,156.4555038,166.9116082,166.8260839,159.8460294,174.3192839,2.002314815,2.430555556,2.055555556,1.949891068,1.9375,1.546296296,1.416666667,1.666666667,1.333333333,0.050013515,-0.002270437,-0.008026888,-0.00814019,-0.027731218,0.009794285,0.010634473,-0.004264409,1.17E-04,706.2183858,-7.82E-14,15.13325112,-17.65545965,-484.264036,-2.522208521,40.35533633,-168.9879709,75.66625563,1313.243245,2.42E-13,28.14092668,-32.83108113,-900.5096538,-4.690154447,75.04247115,-314.2403479,140.7046334,0.138343333,2.23E-15,0.0029645,-0.003458583,-0.094864,-4.94E-04,0.007905333,-0.033103583,0.0148225,5.870808328,1.35E-14,0.125803036,-0.146770208,-4.025697139,-0.020967173,0.335474762,-1.404800564,0.629015178,31.89032402,-1.08E-13,0.683364086,-0.7972581,-21.86765075,-0.113894014,1.822304229,-7.630898961,3.41682043,4.49537037,-0.49537037,0.447916667,0.704282407,-3.550925926,-0.977430556,0.768518519,-0.316550926,0.086805556,0.002083896,-9.46E-05,-1.91E-04,-1.60E-04,-5.78E-04,2.18E-04,4.43E-04,-2.84E-04,6.49E-06,29.42576608,-3.26E-15,0.360315503,-0.346185483,-10.08883408,-0.056049078,1.681472347,-11.26586473,4.203680868,54.71846854,1.01E-14,0.670022064,-0.643746689,-18.76061779,-0.104225654,3.126769631,-20.94935653,7.816924078,0.005764306,9.31E-17,7.06E-05,-6.78E-05,-0.001976333,-1.10E-05,3.29E-04,-0.002206906,8.23E-04,0.244617014,5.62E-16,0.00299531,-0.002877847,-0.08386869,-4.66E-04,0.013978115,-0.093653371,0.034945288,1.328763501,-4.51E-15,0.016270573,-0.015632512,-0.455576057,-0.002530978,0.075929343,-0.508726597,0.189823357,0.187307099,-0.020640432,0.010664683,0.013809459,-0.073977623,-0.021720679,0.032021605,-0.021103395,0.004822531,-0.04539647,-0.091711069,-0.076592854,-0.277237249,0.104444141,0.212631992,-0.136424205,0.003115833,-1.11E-16,0.012244898,-0.011764706,-0.342857143,-0.001904762,0.057142857,-0.382857143,0.142857143,1.84E-16,0.012244898,-0.011764706,-0.342857143,-0.001904762,0.057142857,-0.382857143,0.142857143,1.62E-14,0.012244898,-0.011764706,-0.342857143,-0.001904762,0.057142857,-0.382857143,0.142857143,2.30E-15,0.012244898,-0.011764706,-0.342857143,-0.001904762,0.057142857,-0.382857143,0.142857143,-3.40E-15,0.012244898,-0.011764706,-0.342857143,-0.001904762,0.057142857,-0.382857143,0.142857143,-0.110195675,0.056936884,0.073726298,-0.394953656,-0.115962925,0.170957775,-0.112667353,0.025746653,1.139555048,1.019166524,1.073945316,1.461837621,0.978799807,0.62488832,0.78889843,0.557193361,1.15,1.032653061,1.005042017,1.314285714,0.876190476,0.821428571,1.314285714,0.657142857,1.15,1.032653061,1.005042017,1.314285714,0.876190476,0.821428571,1.314285714,0.657142857,1.15,1.032653061,1.005042017,1.314285714,0.876190476,0.821428571,1.314285714,0.657142857,1.15,1.032653061,1.005042017,1.314285714,0.876190476,0.821428571,1.314285714,0.657142857,1.15,1.032653061,1.005042017,1.314285714,0.876190476,0.821428571,1.314285714,0.657142857,1.279093718,0.896719141,0.925183256,1.548532441,1.023274974,0.444129763,0.93800206,0.852729145,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,47.90330554,23.79609721,35.21145022,47.81663887,4.781663887,23.79609721,-0.144444444,4.44E-16,4.44E-17,-35.35050621,79.44653361,7.944653361,4.375084262,0,11.89,12.11015511,-0.156964492,0.065318248,5.499062742,8.366422458,10,24,21,18,4,3,0,0,0,6,15.304898,3.819612023,3.220958077,2.868110111,2.619181914,2.358697108,1.692954427,1.469983674,0.941428501,2.007143858,1.68895318,1.495098636,1.082250302,0.998265407,0.795641239,0.564763347,0.310513972,3.83060556,3.249474872,2.913334396,2.645815032,2.400317283,1.781060768,1.562752625,1.053336623,1.975512742,1.616884266,1.410559618,1.007167592,0.901611951,0.661051036,0.436582117,0.150156259,3.881168252,3.381837113,3.108430974,2.771820215,2.585426489,2.146465415,1.93615817,1.517793787,1.891770834,1.409394393,1.146412189,0.798620231,0.622886063,0.214487985,0.003797392,0.396843083,3.838812445,3.27089294,2.946492122,2.665925019,2.431080677,1.844946852,1.629330305,1.134811365,1.956281337,1.571234051,1.355301317,0.960278991,0.840420913,0.57113121,0.350637418,0.041902902,3.90737822,3.449579908,3.200418815,2.838078588,2.677168039,2.309455932,2.097347768,1.721464227,1.867974208,1.34734449,1.059712184,0.738564276,0.538152491,0.057695502,0.152954976,0.594311107,3.856927041,3.251018072,2.995046797,2.765994816,2.481928701,1.889840822,1.681250695,1.261914887,1.939880605,1.565694996,1.282703987,0.850296122,0.77397203,0.493991063,0.265924794,0.095113692,0,0,0,4,2,2,2,0,0,0,0,0,0.083333333,0.11785113,0,0,0,0.027777778,0.03928371,0.40824829,0,0,0,0.23570226,0,0,0,0.98559856,1.114807748,1.040440115,0.507867787,0.486815711,0.389442649,7.397341225,4.863703305,3.703247927,3.121027034,2.047980757,1.471404521,0.902368927,0.402368927,0.739734123,0.486370331,0.308603994,0.222930502,0.14628434,0.091962783,0.075197411,0.067061488,6.723614639,3.942687549,2.523603362,1.839467948,1.010667982,0.621785024,0.38131685,0.161900753,0.672361464,0.394268755,0.21030028,0.131390568,0.07219057,0.038861564,0.031776404,0.026983459,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.8114,45.198,42.38504202,55.88860613,84.77008404,8.477008404,42.38504202,2.22E-16,2.22E-17,-36.04365339,48.66129513,4.866129513,3.884883953,100,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,4,0,0,4,0,0,0,0,0,0,0,0,2,0,2,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.68462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.523888889,0,1.290555556,0,0,1.523888889,0,0,0,0,0,0,0,0,4.363000756,0,2.285702948,0,0,8.828703704,0,0,0,0,2.855925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.427962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.285972222,0,0,0.380972222,0,0,0,0,0,0,0,0,2.181500378,0,1.142851474,0,0,2.207175926,0,0,0,0,1.427962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.207175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.359305556,0,0,0.380972222,0,0,0,0,0,0,0,0,2.181500378,0,1.142851474,0,0,2.207175926,0,0,0,0,1.427962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.33333333,1.833333333,0.380972222,2.207175926,0.142777778,1.142851474,6.19749274,0.357148526,0.207175926,2.383408919,0.357148526,0.207175926,2.383408919,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.58952,0.65895,11.43218,4.84266,0.48427,2.89931,0.28993,4.86369,1.96438,0.19644,0.05031,0.00503,0.13631,0.01363,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.284159128,2.688721876,2.855388542,3.022055209,2.855388542,23.51685016,54.81981907,64.52932501,68.52932501,72.52932501,68.52932501,0.213713581,0.498184909,0.586421781,0.622772496,0.659123212,0.622772496,3.605093744,2.300803373,1.896240625,1.729573959,1.562907292,1.729573959,0.206076118,0.480381319,0.565464877,0.60051653,0.635568183,0.60051653,6.772325919,16.88939319,17.29712166,19.29712166,19.4650925,17.4650925,37.92632204,28.0806892,27.54135417,24.37142917,23.84310834,27.01303334,8.1,4,2.285714286,2,6,2,2.56,1.28,0.142857143,3.888322594,1.264911064,0,6.580104012,7.559526299,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.894,12,14,14,16,12,6,0,0,0,94,2.63905733,3.113515309,3.590439381,3.986666548,4.466626252,4.1763085,3.640870235,0,0,0,5.7712464,3.403590426,0.428571429,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,0,4,7,0.75,2,0.888888889,0.25,0.382222222,0.180555556,0.040816327,0,0,0,0,0.2,0.074074074,0.022727273,0.063703704,0.060185185,0.020408163,0,0,0,0,0.441098399,26.03949385,39.44261809,52.0789877,5.20789877,26.03949385,1.11E-16,1.11E-17,-36.73680057,53.5839518,5.35839518,3.981249616,0,150.3504702,4.321928095,3.80666249,4.574710979,5.361292166,6.150602768,6.944087208,7.737616283,8.532475815,9.326967184,10.12202049,82.55643538,3.044522438,0,4.234106505,0,5.65248918,0,7.158513997,0,8.703008637,8.947285869,134.1095504,5.587897935,19.56874261,1.956874261,0,0,0,125,11,3.794,44,1.235929323,2.155875194,2.975641686,3.803836732,4.566033795,5.594309301,6.664643899,7.101571633,7.770062243,0,92.76161773,113.0020016,120.975645,110.0616251,77.59777087,107.0996996,124.5612713,34.88035524,7.894880523,0,323.5789178,430.315747,497.9720754,546.4760998,455.6354473,575.2974203,765.3068138,429.4015325,241.522629,0,9.045833162,15.49630435,21.18728354,27.0302283,31.81241711,38.94550368,46.93517949,48.70731116,52.20288346,0,2.362509317,3.318542686,4.006793867,4.685587632,4.265713631,5.27772955,7.045334901,4.825987878,3.454669945,0,173.7497847,323.0910679,460.1962355,589.9496882,756.4085721,930.0175256,1063.968971,1233.898383,1436.821666,0,3.091288087,4.586447867,5.971488447,7.554762251,7.230356102,8.027118635,11.20708468,9.595904344,7.770062243,0,0.486472119,0.691026444,0.84119524,0.993469427,0.919819599,1.135162869,1.511542492,1.070421116,0.795654374,0,319.5529872,163.6354549,11.3677643,95.28941392,-48.79543369,-4.907043392,224.2635733,212.4308886,16.27480769,0.770299724,0.394452097,0.027402609,0.229700276,-0.117624027,-0.011828693,132.5641285,67.88292504,4.715830638,39.53008928,-20.24241488,-2.035649663,0.121147959,0.119640932,3.04720661,1.147576518,414.8424012,0,1,0,729.0594248,27.00110044,9.00024454,865.5271791,29.41984329,9.530014688,1258.155968,35.47049433,10.79555135,2.113369874,2.00345672,775.0858015,710.1285047,130.7156286,1.091472594,5.929557237,5.432621274,4.414610774,5.14982236,8.719547178,0.69317436,4.231360714,4.769035699,4.031030525,10.73286412,7.303408908,6.465956902,5.937996307,8.930645953,6.373713909,5.21506595,2.504294461,3.752799098,3.841630156,3.10071201,2.006713434,0.442036949,3.86E-04,3.52E-27,6.24E-72,2.13E-138,1.40E-226,0,0,0,0,0,0,0,0,0,0.355218392,4.768829469,0.307969799,5.980646177,1.448965751,1.919301943,0.479116068,2.022312659,1.009859546,0.359875331,0.070195457,0.303867386,0.321941761,0.022184003,0.167756177,0.003113302,2.72E-06,2.48E-29,4.39E-74,1.50E-140,9.87E-229,0,0,0,0,0,0,0,0,0,1.146421676,4.768843705,1.013505975,6.588798835,2.059372658,2.654626464,1.431845705,3.112824574,1.796372003,1.143719377,0.318751029,0.734297423,1.010599468,0.228253569,0.541967916,0.032443011,2.83E-05,2.59E-28,4.58E-73,1.56E-139,1.03E-227,0,0,0,0,0,0,0,0,0,3.994066058,4.769013218,3.783855461,10.31391688,6.738188528,6.119427258,5.546658584,8.39464958,5.936253418,4.844532794,2.26744179,3.444877806,3.615620149,2.76284262,1.893723899,0.393846964,3.44E-04,3.14E-27,5.56E-72,1.90E-138,1.25E-226,0,0,0,0,0,0,0,0,0,1.689557927,4.76886175,1.513992834,7.113725146,2.651980601,3.216633583,2.13383055,3.956330449,2.427847973,1.743326858,0.563100838,1.111002881,1.492185395,0.495110495,0.799196569,0.070470555,6.15E-05,5.62E-28,9.94E-73,3.39E-139,2.23E-227,0,0,0,0,0,0,0,0,0,5.109956015,4.769130128,4.968067684,12.42939411,9.63098911,7.82642106,7.451832134,11.04358534,8.117295765,6.670212208,3.480987738,5.002779655,4.690407687,4.521327431,2.425528222,0.644669347,5.63E-04,5.14E-27,9.09E-72,3.10E-138,2.04E-226,0,0,0,0,0,0,0,0,0,2.351936423,4.063910293,2.051071843,7.471117297,3.819363791,4.313713073,3.193763487,5.184129208,3.400638457,2.519395191,0.846704007,1.682555816,1.714018635,0.923483806,1.191548891,0.131515125,1.15E-04,1.05E-27,1.86E-72,6.33E-139,4.17E-227,0,0,0,0,0,0,0,0,0,7.243996809,1.328376478,0.573011576,0.792093162,0.14525102,0.586457691,0.405966166,0.375935773,9.145384863,14.53482409,29.19415895,0.688139742,1.368359629,5.049650915,0.73281729,0.245119385,0.837756538,0.121577211,0.286163529,0.123552658,0.069534908,6.02758759,5.11786655,12.05251144,0.756634808,0.479251095,5.828642935,0.944348538,0.361972385,0.816912748,0.132355056,0.380530556,0.20517268,0.151318422,7.134963857,7.955906306,17.08326406,0.725369123,0.737021658,7.179290805,1.310826002,0.563389403,0.792984578,0.144786558,0.576073108,0.395310053,0.363577973,9.05350621,14.1940429,28.5494947,0.689476868,1.334961134,6.212140915,1.048435134,0.41928886,0.808886743,0.136517393,0.431935113,0.252892358,0.202630106,7.679864909,9.557305448,19.96800994,0.713330115,0.887457577,7.450710944,1.384441226,0.603737927,0.789363036,0.146674155,0.62025587,0.44095643,0.416736848,9.438890097,15.64918785,31.31567777,0.684044554,1.477949148,7.175032745,1.313403603,0.562642729,0.792726777,0.145110168,0.575284757,0.396866256,0.362234173,9.051079077,14.19967085,28.55293401,0.689090165,1.334385187 +UMLKV0148,L,"1,2-DIMETHYL-3-ETHYLBENZENE",CCC1=CC=CC(=C1C)C,C10H14,Aromatic (single ring),Aromatics,933-98-2,3.015458262,PubChem,,1.0789,0,2.4075,5.79605625,48.6502,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2115.628885,2210.453461,1512.335839,669.09965,147.488544,12.192768,0,4670.34144,5841.481647,7996.552878,8852.27832,7855.32205,5075.824267,1955.543519,373.0049332,0,169.463656,175.052008,300.446356,343.950484,384.917308,416.327816,245.856384,80.621568,0,34.11358067,43.47862034,61.85917094,69.87829961,67.84529414,50.76435923,22.69537863,5.335354858,0,3856.790689,3411.659229,6406.831556,7261.976634,8275.090861,10056.7545,6339.08443,2219.011824,0,48.58333333,59.38888889,86.11111111,100.6666667,107.6666667,92,46,12,0,60.70275442,67.17251842,50.37211631,46.05111377,28.00621924,11.15166083,4.096904,1.016064,0,194.59756,243.3950686,190.3941161,184.422465,145.4689269,84.59707111,54.3206533,31.08374443,0,7.060985667,7.293833667,7.153484667,7.165635083,7.128098296,6.938796933,6.829344,6.718464,0,1.421399194,1.811609181,1.472837403,1.455797909,1.256394336,0.846072654,0.630427184,0.444612905,0,160.6996121,142.1524679,152.5436085,151.2911799,153.2424234,167.6125751,176.0856786,184.917652,0,2.024305556,2.474537037,2.05026455,2.097222222,1.99382716,1.533333333,1.277777778,1,0,0.044218389,-3.50E-04,2.04E-04,-0.007306453,-0.035782249,-0.002752419,0.013726223,0.010151986,0,706.2183858,-7.82E-14,186.6434305,-90.79950675,-791.9734755,-161.4213453,252.2208521,252.2208521,0,1313.243245,2.42E-13,347.0714291,-168.8455601,-1472.708496,-300.1698846,469.0154447,469.0154447,0,0.138343333,2.23E-15,0.036562167,-0.017787,-0.155142167,-0.031621333,0.049408333,0.049408333,0,5.870808328,1.35E-14,1.551570772,-0.754818214,-6.583692197,-1.341899046,2.09671726,2.09671726,0,31.89032402,-1.08E-13,8.428157061,-4.100184516,-35.7627205,-7.289216918,11.38940143,11.38940143,0,4.572916667,-0.871527778,1.306423611,0.458333333,-4.559895833,-1.098958333,0.973958333,1.505208333,0,0.001842433,-1.46E-05,4.86E-06,-1.52E-04,-6.63E-04,-4.59E-05,3.81E-04,8.46E-04,0,29.42576608,-3.26E-15,4.443891203,-1.891656391,-14.66617547,-2.690355756,7.00613478,21.01840434,0,54.71846854,1.01E-14,8.263605454,-3.517615835,-27.27237956,-5.00283141,13.0282068,39.08462039,0,0.005764306,9.31E-17,8.71E-04,-3.71E-04,-0.002873003,-5.27E-04,0.001372454,0.004117361,0,0.244617014,5.62E-16,0.036942161,-0.015725379,-0.121920226,-0.022364984,0.058242146,0.174726438,0,1.328763501,-4.51E-15,0.200670406,-0.085420511,-0.662272602,-0.121486949,0.316372262,0.949116786,0,0.190538194,-0.036313657,0.031105324,0.009548611,-0.084442515,-0.018315972,0.027054398,0.125434028,0,-0.007920239,0.002635454,-0.082617814,-0.359651768,-0.024898408,0.206945929,0.459174857,0,-1.11E-16,0.151020408,-0.064285714,-0.498412698,-0.091428571,0.238095238,0.714285714,0,1.84E-16,0.151020408,-0.064285714,-0.498412698,-0.091428571,0.238095238,0.714285714,0,1.62E-14,0.151020408,-0.064285714,-0.498412698,-0.091428571,0.238095238,0.714285714,0,2.30E-15,0.151020408,-0.064285714,-0.498412698,-0.091428571,0.238095238,0.714285714,0,-3.40E-15,0.151020408,-0.064285714,-0.498412698,-0.091428571,0.238095238,0.714285714,0,-0.190584662,0.16324981,0.050113895,-0.443178942,-0.096127563,0.14198937,0.658314351,0,1.102374338,0.958423635,1.133180018,1.400743548,0.934437635,0.61034231,0.10148746,0,1.15,0.891836735,1.108928571,1.496825397,0.952857143,0.547619048,0,0,1.15,0.891836735,1.108928571,1.496825397,0.952857143,0.547619048,0,0,1.15,0.891836735,1.108928571,1.496825397,0.952857143,0.547619048,0,0,1.15,0.891836735,1.108928571,1.496825397,0.952857143,0.547619048,0,0,1.15,0.891836735,1.108928571,1.496825397,0.952857143,0.547619048,0,0,1.385472032,0.740138121,0.908124525,1.513540876,1.019893698,0.698557327,0,0,37.57627844,18.78813922,26.10202704,37.57627844,3.757627844,18.78813925,1.07E-14,0.22455578,0.022455578,-1.493631141,72.08522069,7.208522069,4.27784904,37.57627844,18.78813922,26.10202704,37.57627844,3.757627844,18.78813925,1.07E-14,0.22455578,0.022455578,-1.493631141,72.08522069,7.208522069,4.27784904,37.57627844,18.78813922,26.10202704,37.57627844,3.757627844,18.78813925,1.07E-14,0.22455578,0.022455578,-1.493631141,72.08522069,7.208522069,4.27784904,37.57627844,18.78813922,26.10202704,37.57627844,3.757627844,18.78813925,1.07E-14,0.22455578,0.022455578,-1.493631141,72.08522069,7.208522069,4.27784904,37.57627844,18.78813922,26.10202704,37.57627844,3.757627844,18.78813925,1.07E-14,0.22455578,0.022455578,-1.493631141,72.08522069,7.208522069,4.27784904,37.57627844,18.78813922,26.10202704,37.57627844,3.757627844,18.78813925,1.07E-14,0.22455578,0.022455578,-1.493631141,72.08522069,7.208522069,4.27784904,43.04654935,21.29036599,30.16512613,42.97854935,4.297854935,21.29036599,-0.113333333,0.312372917,0.031237292,-1.163557557,135.7755739,13.57755739,4.911003331,0,11.89,12.11015511,-0.151818315,0.068387272,5.683369143,9.07776985,10,24,21,18,4,3,0,0,0,6,15.304898,3.846909094,3.122321072,2.901283259,2.685768631,2.235992105,1.865611891,1.520085449,0.758188477,2.018342845,1.628483208,1.412168643,1.374673045,0.956722904,0.730061973,0.478578581,0.18055894,3.856567764,3.153653141,2.930387218,2.73345402,2.288732,1.930033774,1.607005634,0.882486871,1.988558705,1.552065998,1.328639714,1.28185799,0.855501593,0.614890614,0.374240312,0.027830468,3.901677691,3.298653164,3.069237245,2.944671006,2.510686195,2.201124824,1.950192324,1.383849734,1.911274392,1.328676326,1.098854039,0.986669735,0.553343016,0.253165905,0.010313113,0.526479178,3.863813591,3.177177186,2.952442721,2.768740361,2.327027905,1.976817518,1.669142988,0.972127981,1.970595084,1.503347105,1.276975946,1.220212938,0.790795188,0.539291381,0.304303192,0.078493661,3.925483248,3.37232118,3.142427368,3.046746776,2.614061708,2.327095565,2.091983333,1.596539596,1.889800388,1.260978004,1.0324903,0.891167222,0.455857466,0.134181728,0.130213509,0.735057644,3.857125986,3.178317422,3.018164765,2.839225263,2.398182705,2.036457725,1.701424413,1.085330102,1.975684696,1.475730199,1.185583669,1.126769558,0.716555442,0.456139888,0.258538688,0.197008156,0,0,0,3,3,3,1,0,0,0,0,0,0.068041382,0.184195286,0,0,0,0.024056261,0.065122868,0.594819017,0,0.232307808,0,0.37139964,0,0.12319982,0,1.686559579,2.180576515,2.49969678,0.971646346,1.105708272,1.102459419,7.560477932,4.753218858,3.935632246,3.399896793,2.268323312,1.386046817,0.60309862,0.295712282,0.756047793,0.475321886,0.302740942,0.21249355,0.141770207,0.092403121,0.067010958,0.059142456,6.939157589,3.804677108,2.712587923,2.097713139,1.194875001,0.60128604,0.2277499,0.109107988,0.693915759,0.380467711,0.208660609,0.131107071,0.074679688,0.040085736,0.025305544,0.021821598,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.30504,43.1,43.00395044,58.45756684,86.00790087,8.600790087,43.00395044,0.035158925,0.003515892,-3.347876783,60.64279888,6.064279888,4.105000896,78,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,3,0,0,0,0,0,0,0,0,3,0,1,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.80759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.169375,0,0.645277778,0,0,1.169375,0,0,0,0,0,0,0,0,6.546064815,0,1.146342593,0,0,6.48412037,0,0,0,0,4.323472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.402175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.285972222,0,0,0.380972222,0,0,0,0,0,0,0,0,2.161203704,0,1.146342593,0,0,2.126157407,0,0,0,0,1.402175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.196759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.39875,0,0.359305556,0,0,0.39875,0,0,0,0,0,0,0,0,2.196203704,0,1.146342593,0,0,2.196759259,0,0,0,0,1.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.5,1.85,0.39875,2.196759259,0.116319444,1.146342593,6.183883565,0.353657407,0.196759259,2.06037037,0.353657407,0.196759259,2.06037037,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.3,0.3,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.24564,0.72456,12.12433,4.87869,0.48787,2.65798,0.2658,4.7532,2.09522,0.20952,0.1608,0.01608,0.2468,0.02468,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.321695404,3.209147917,3.490601563,3.704986856,3.90726823,23.51685016,55.72068971,77.01955001,83.77443751,88.91968454,93.77443751,0.213713581,0.506371732,0.699928934,0.761315182,0.808073535,0.852191971,3.605093744,2.263267096,1.375814584,1.094360938,0.879975645,0.677694271,0.206076118,0.48827557,0.674915635,0.734108128,0.779195481,0.82173726,6.772325919,18.0677644,21.48567837,23.60136356,24.73344101,24.93730524,37.92632204,26.17699528,21.18734375,18.26591511,16.64285407,16.00802031,8.1,3.408284024,1.75,2,6,2,2.56,1.28,0.766309432,3.947850755,4.441492163,0,3.14734519,6.233208625,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.1,0.505,0.68,4.871,13,16,16,15,9,5,1,0,0,95,2.63905733,3.198673118,3.70745584,4.092259056,4.453620288,4.123093976,3.595598464,2.151035195,0,0,5.813664005,3.514144737,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,5,0.666666667,2,1.555555556,0.8125,0.453333333,0.0625,0,0,0,0,0,0.2,0.11965812,0.0625,0.064761905,0.03125,0,0,0,0,0,0.478170024,23.2906377,32.53527811,46.5812754,4.65812754,23.2906377,0.089622164,0.008962216,-2.412152624,63.30068695,6.330068695,4.147896181,0,150.3504702,4.321928095,3.850147602,4.65396035,5.476463552,6.29710932,7.123672785,7.947678571,8.774776816,9.599608345,10.42670607,84.15012341,3.044522438,0,4.290459441,0,5.771441123,0,7.353081921,0,8.976009475,9.199582715,134.1095504,5.587897935,19.39843663,1.939843663,0,0,0,113,13,3.722,46,1.235345989,2.146135604,3.021156414,3.803120662,4.36460615,5.104093343,5.90603021,0,0,0,92.61138514,119.5397752,148.5341309,113.7079805,53.28665254,22.05869529,6.000904679,0,0,0,323.1774761,439.7051078,583.0372299,573.5953672,387.6550163,285.9142025,183.5815336,0,0,0,9.041223086,15.41650878,21.70310647,27.15436997,30.34801161,34.89891572,39.67945135,0,0,0,2.360044781,3.345917844,4.553035496,4.901884329,3.821188864,3.286981162,2.625897248,0,0,0,173.6889854,322.8582978,453.2070571,579.5496751,726.7281256,895.4675376,1092.129239,0,0,0,3.146905573,4.581306719,6.510139176,7.719595575,6.83990388,6.625378464,5.90603021,0,0,0,0.485982744,0.69527464,0.950073198,1.037942308,0.830038035,0.731987991,0.604777493,0,0,0,279.556324,135.4216736,10.04354901,95.25796527,-46.1445225,-4.813389441,184.2983587,181.5661961,14.85693845,0.745852898,0.361303391,0.026796068,0.254147102,-0.123113029,-0.012842065,104.7817049,50.75797834,3.764465683,35.70404655,-17.2956264,-1.804127142,0.128065664,0.12645479,3.221206057,1.189072955,374.8142892,0,1,0,731.2346257,27.04135029,9.00918661,867.4900677,29.45318434,9.537213474,1315.04327,36.26352534,10.95586522,1.387093022,1.357998571,604.7932063,399.2513316,251.7382182,1.514818257,2.402468766,1.585978221,4.292303775,4.001863032,7.138102735,0.783694914,4.149702385,4.819683419,5.047006734,11.05145909,5.025513188,8.294133102,9.58297962,7.884516866,6.529622484,6.232127622,3.27706189,2.512684418,0.14850832,2.05E-06,5.47E-33,2.81E-81,2.78E-151,5.32E-243,0,0,0,0,0,0,0,0,0,0,0,0,0.348365374,4.81945519,0.295275059,6.264101433,1.87008095,1.421921308,0.8241989,1.039439243,0.829609567,0.3567048,0.091389002,0.017890989,0.001045956,1.44E-08,3.85E-35,1.98E-83,1.96E-153,3.75E-245,0,0,0,0,0,0,0,0,0,0,0,0,1.124299299,4.81947092,1.037073486,6.93150975,2.219822624,2.285679377,2.503181731,2.110183914,1.700561732,1.25703606,0.416015258,0.184915109,0.01089967,1.51E-07,4.01E-34,2.06E-82,2.04E-152,3.91E-244,0,0,0,0,0,0,0,0,0,0,0,0,3.916987257,4.819658531,4.675403825,10.64878582,4.72820885,7.682738445,9.008258372,7.349967742,6.077180112,5.766673544,2.966837519,2.238890124,0.132318239,1.83E-06,4.87E-33,2.50E-81,2.48E-151,4.74E-243,0,0,0,0,0,0,0,0,0,0,0,0,1.656953614,4.81949088,1.614031759,7.481648723,2.547307725,3.038664509,3.688076876,2.94215571,2.385304862,1.963854973,0.73554952,0.401183066,0.023675541,3.27E-07,8.71E-34,4.48E-82,4.44E-152,8.49E-244,0,0,0,0,0,0,0,0,0,0,0,0,5.011341757,4.819787963,6.514519854,12.66681344,6.244530308,10.7743583,11.75464457,9.994851399,8.322319957,8.075582675,4.556483776,3.663881474,0.216585427,2.99E-06,7.97E-33,4.10E-81,4.06E-151,7.77E-243,0,0,0,0,0,0,0,0,0,0,0,0,2.343512132,4.36129512,2.266220534,7.962402735,3.138028584,3.932013649,5.060873701,4.118933231,3.141905156,3.000881439,1.216915736,0.734903477,0.043391766,5.99E-07,1.60E-33,8.21E-82,8.14E-152,1.56E-243,0,0,0,0,0,0,0,0,0,0,0,0,4.096043654,2.543388461,0.465339841,0.576520074,0.357983124,0.542546547,0.459696818,0.363943464,7.104771956,13.50742245,25.46002584,0.401754797,1.366186829,2.836066198,1.763837124,0.17355243,0.594132709,0.369509474,0.267875199,0.230248481,0.050050399,4.773455752,5.800683246,11.44231053,0.445463275,0.548174079,3.277970065,2.046237998,0.277282359,0.585196049,0.365302418,0.35204035,0.305490742,0.128452541,5.601490422,8.183815875,15.64517963,0.425747702,0.785983632,4.058349056,2.5209702,0.45675093,0.576792009,0.358292361,0.532777647,0.45212272,0.350561536,7.036070185,13.23608722,24.94516567,0.402626555,1.335461902,3.49807259,2.182583274,0.328281399,0.582144968,0.363222843,0.398860621,0.344958816,0.180409408,6.008937264,9.499688383,18.01499987,0.418051716,0.924228844,4.216609661,2.614855162,0.492774098,0.575706187,0.357013908,0.574434285,0.484242049,0.408372101,7.324238922,14.39219246,27.14967164,0.399080143,1.467048435,4.059654857,2.526793035,0.456475823,0.576416134,0.358770468,0.533182892,0.454472586,0.350343899,7.042923715,13.26446184,24.98987237,0.402779902,1.337999378 +UMLKV0149,L,N-HEXYLBENZENE,CCCCCCC1=CC=CC=C1,C12H18,Aromatic (single ring),Aromatics,1077-16-3,3.207107472,PubChem,,1.4467,0,0.1695,0.02873025,52.1462,33.122274,6,6,30,12,18,0,12,0,0,0,0,0,0,0,0,0,1749.458604,1949.097036,2283.095989,2037.071075,1567.957448,1349.018671,1152.261942,955.505213,648.773499,5641.710221,7147.461916,9540.698018,9482.644847,7867.884293,6693.780204,5686.981859,4680.183514,3531.910628,211.418544,218.603568,386.656276,506.74286,462.768416,399.08518,336.20028,273.31538,210.805932,41.46983229,53.51059758,76.55956547,81.21188638,69.50455345,59.14516178,50.12363292,41.10210406,31.74308232,4850.05001,4277.738132,8180.71192,11561.88604,10722.13533,9306.770382,7827.815227,6348.860072,4832.6429,56.02777778,68.16666667,104.0833333,119.5,104.25,89.83333333,77.66666667,65.5,53.5,58.3152868,64.9699012,42.27955535,28.29265382,23.75693103,23.66699423,24.00545712,24.50013367,21.6257833,188.0570074,238.2487305,176.6795929,131.7034007,119.2103681,117.4347404,118.4787887,120.0047055,117.7303543,7.0472848,7.2867856,7.160301407,7.038095278,7.011642667,7.001494386,7.0041725,7.008086667,7.0268644,1.382327743,1.783686586,1.417769731,1.127942866,1.053099295,1.037634417,1.044242352,1.053900104,1.058102744,161.6683337,142.5912711,151.4946652,160.5817505,162.4565959,163.2766734,163.0794839,162.7912839,161.0880967,1.867592593,2.272222222,1.927469136,1.659722222,1.579545455,1.576023392,1.618055556,1.679487179,1.783333333,0.064986683,-0.001062221,-0.025877041,-0.011866747,-0.004378842,0.00672011,0.00282795,0.002585921,-0.008279606,871.6752648,-1.06E-12,-237.2893776,-33.89848252,-77.48224576,14.52792108,9.68528072,4.84264036,-169.4924126,1620.917377,4.41E-13,-441.2497303,-63.03567576,-144.0815446,27.01528961,18.01019308,9.005096538,-315.1783788,0.1707552,2.72E-15,-0.04648336,-0.00664048,-0.01517824,0.00284592,0.00189728,9.49E-04,-0.0332024,7.246254851,1.72E-14,-1.972591598,-0.2817988,-0.644111542,0.120770914,0.080513943,0.040256971,-1.408993999,39.36177136,-3.46E-13,-10.71514887,-1.530735553,-3.498824121,0.656029523,0.437353015,0.218676508,-7.653677764,4.893518519,0.49537037,0.074074074,0.041666667,-0.847222222,-0.358796296,-0.449074074,0.113425926,-1.115740741,0.002166223,-3.54E-05,-4.79E-04,-1.65E-04,-6.63E-05,1.18E-04,5.89E-05,6.63E-05,-2.76E-04,29.05584216,-3.53E-14,-4.394247734,-0.470812257,-1.173973421,0.254875808,0.201776682,0.124170266,-5.649747087,54.03057923,1.47E-14,-8.171291303,-0.875495497,-2.183053706,0.473952449,0.375212356,0.230899911,-10.50594596,0.00569184,9.06E-17,-8.61E-04,-9.22E-05,-2.30E-04,4.99E-05,3.95E-05,2.43E-05,-0.001106747,0.241541828,5.72E-16,-0.036529474,-0.003913872,-0.009759266,0.002118788,0.001677374,0.00103223,-0.046966467,1.312059045,-1.15E-14,-0.198428683,-0.021260216,-0.053012487,0.01150929,0.009111521,0.00560709,-0.255122592,0.163117284,0.016512346,0.001371742,5.79E-04,-0.0128367,-0.006294672,-0.00935571,0.002908357,-0.037191358,-0.016345214,-0.221216608,-0.076084481,-0.03062755,0.054424997,0.027197399,0.030608886,-0.127404662,-1.21E-15,-0.151234568,-0.016203704,-0.04040404,0.00877193,0.006944444,0.004273504,-0.194444444,2.72E-16,-0.151234568,-0.016203704,-0.04040404,0.00877193,0.006944444,0.004273504,-0.194444444,1.59E-14,-0.151234568,-0.016203704,-0.04040404,0.00877193,0.006944444,0.004273504,-0.194444444,2.37E-15,-0.151234568,-0.016203704,-0.04040404,0.00877193,0.006944444,0.004273504,-0.194444444,-8.78E-15,-0.151234568,-0.016203704,-0.04040404,0.00877193,0.006944444,0.004273504,-0.194444444,0.101229896,0.008409545,0.003547777,-0.078696138,-0.038589852,-0.057355724,0.017829852,-0.228003784,1.164916513,1.197384661,0.962926074,0.921282859,0.828344029,0.885472322,0.976647366,1.281244965,1.208333333,1.230709877,0.978973765,0.976430976,0.918615984,0.923032407,0.929487179,1.141203704,1.208333333,1.230709877,0.978973765,0.976430976,0.918615984,0.923032407,0.929487179,1.141203704,1.208333333,1.230709877,0.978973765,0.976430976,0.918615984,0.923032407,0.929487179,1.141203704,1.208333333,1.230709877,0.978973765,0.976430976,0.918615984,0.923032407,0.929487179,1.141203704,1.208333333,1.230709877,0.978973765,0.976430976,0.918615984,0.923032407,0.929487179,1.141203704,1.086471145,0.961789131,0.881385998,0.925346177,0.905392621,1.003133869,1.013026708,1.481551561,74.67648576,37.33824288,60.0565357,74.67648576,6.22304048,37.33824288,-3.55E-14,0.319250438,0.026604203,-1.370135294,62.27888196,5.18990683,4.957946874,74.67648576,37.33824288,60.0565357,74.67648576,6.22304048,37.33824288,-3.55E-14,0.319250438,0.026604203,-1.370135294,62.27888196,5.18990683,4.957946874,74.67648576,37.33824288,60.0565357,74.67648576,6.22304048,37.33824288,-3.55E-14,0.319250438,0.026604203,-1.370135294,62.27888196,5.18990683,4.957946874,74.67648576,37.33824288,60.0565357,74.67648576,6.22304048,37.33824288,-3.55E-14,0.319250438,0.026604203,-1.370135294,62.27888196,5.18990683,4.957946874,74.67648576,37.33824288,60.0565357,74.67648576,6.22304048,37.33824288,-3.55E-14,0.319250438,0.026604203,-1.370135294,62.27888196,5.18990683,4.957946874,74.67648576,37.33824288,60.0565357,74.67648576,6.22304048,37.33824288,-3.55E-14,0.319250438,0.026604203,-1.370135294,62.27888196,5.18990683,4.957946874,91.57948121,45.33829729,74.91382944,91.46466639,7.622055533,45.33829729,-0.22962963,0.417845426,0.034820452,-1.04717245,65.70513696,5.47542808,5.022212533,0,11.85,12.1501417,-0.210044168,0.090119777,5.147031763,8.719086669,12,30,27,24,6,3,0,0,0,6,19.677726,3.785168331,3.421465843,3.077805684,2.689223392,2.619181914,2.280350512,1.810841527,1.399003984,1.994280099,1.848822888,1.598900118,1.2807743,1.082250302,0.98956026,0.794373808,0.63456542,3.797531372,3.451029363,3.11216002,2.725314636,2.645815032,2.331490768,1.888508502,1.502265592,1.958966972,1.788495815,1.523278667,1.190619921,1.007167592,0.890036457,0.674421646,0.489574575,3.854109098,3.580170468,3.266343272,2.892832801,2.771820215,2.549800917,2.213559708,1.921399684,1.865920708,1.605734023,1.297460653,0.927807963,0.798620231,0.592011045,0.274466004,0.00212105,3.806745646,3.472770856,3.137683507,2.752393064,2.665925019,2.368855873,1.945010734,1.576600871,1.93758813,1.749516228,1.474712622,1.133095544,0.960278991,0.826391596,0.594080704,0.391914385,3.883282618,3.642374738,3.342306434,2.978849627,2.838078588,2.652074339,2.359595908,2.103909377,1.839387541,1.547607829,1.226946272,0.849106969,0.738564276,0.495587506,0.134218306,0.179106647,3.889734537,3.422064449,3.139211077,2.805347209,2.793471301,2.415546676,1.988863221,1.635963211,1.902785985,1.741838579,1.444592328,1.077104486,0.814680205,0.745080957,0.5005061,0.293643086,0,0,0,5,1,1,5,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.612372436,0.649519053,0.219416097,0.27300174,0.255985446,8.648418081,5.931851653,4.353371151,3.190670698,2.335604198,1.707707785,0.823749909,0.552585858,0.720701507,0.494320971,0.334874704,0.22790505,0.155706947,0.106731737,0.074886355,0.055258586,7.922285252,4.971343774,3.296258731,2.161829883,1.400578078,0.894596295,0.442741612,0.280458885,0.660190438,0.414278648,0.253558364,0.15441642,0.093371872,0.055912268,0.040249237,0.028045889,16.87645023,28.99053168,27.52941176,27.84,19.18699042,227.4823796,0.562548341,0.966351056,0.917647059,0.928,0.639566347,7.582745988,3.8094,54.288,60.21012617,90.62665699,120.4202523,10.03502103,60.21012617,0.173390108,0.014449176,-2.102653514,84.98603113,7.082169261,5.330984284,167,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,6,0,0,5,0,0,0,0,0,0,0,0,1,0,5,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.2279484,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.990421509,0,1.587527754,0,0,1.990421509,0,0,0,0,0,0,0,0,2.252497166,0,6.686221104,0,0,10.74776038,0,0,0,0,1.48018802,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.48018802,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380644487,0,0.22158738,0,0,0.380644487,0,0,0,0,0,0,0,0,2.252497166,0,1.250833333,0,0,2.078911643,0,0,0,0,1.48018802,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.214231859,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.418460845,0,0.359305556,0,0,0.418460845,0,0,0,0,0,0,0,0,2.252497166,0,1.381779337,0,0,2.214231859,0,0,0,0,1.48018802,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.16666667,1.763888889,0.418460845,2.252497166,0.122050737,1.250833333,7.705455304,0.249166667,0.252497166,2.000515086,0.249166667,0.252497166,2.000515086,6,0.5,0,0,0.46,0.7,0.43333,0.43333,0.7,0.02667,0.02667,0,0,0.71429,0,0,0.08333,0.08333,0,12,1,6,0.5,6,0.5,0,0,0,0,9.10917,0.7591,13.98793,4.87875,0.40656,3.94966,0.32914,5.93185,1.98218,0.16518,-0.01785,-0.00149,0.06815,0.00568,0.2,12,0,0,0,0,0,0,0.5,0.970950594,2.262724019,3.20291008,3.923231429,4.053235913,4.11990258,29.12851783,67.88172058,96.08730239,117.6969429,121.5970774,123.5970774,0.197874922,0.461131948,0.652737211,0.799535134,0.826029404,0.83961574,3.935940001,2.644166576,1.703980516,0.983659167,0.853654682,0.786988016,0.192481113,0.4485621,0.634944456,0.777740862,0.803512933,0.816728924,6.79089428,16.67030326,21.5950911,24.0632675,24.19428928,24.99428928,46.03075755,34.12147213,24.87705198,19.7292234,19.35146811,18.18871187,10.08333333,6.50887574,4.591836735,6,6,6,2.78,1.5618,0,2.223412378,0.166666667,0,15.39491067,4.832409738,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,5.915,13,14,15,16,11,10,8,6,4,121,2.772588722,3.113515309,3.488902962,3.884137802,4.28960291,3.727198318,3.702843994,3.626006212,3.49839971,3.270044111,5.926592637,3.089876033,0.444444444,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.416666667,6,0.5,1,5,9,0.8,1,0.444444444,0.1875,0.151111111,0.090277778,0.060408163,0.043402778,0.032753842,0.015625,0,0.083333333,0.034188034,0.017045455,0.018888889,0.012896825,0.010068027,0.008680556,0.010917947,0.015625,0,0.211644067,41.83964908,65.84230423,83.67929815,6.973274846,41.83964908,0.181288381,0.015107365,-2.049199501,69.10955535,5.759129612,5.082831605,0,184.9424394,4.584962501,3.931825633,4.65396035,5.398162702,6.142037406,6.898714534,7.652070746,8.4147174,9.172949983,9.938902958,86.20334171,3.218875825,0,4.343805422,0,5.666426688,0,7.080867897,0,8.541885804,8.811801224,162.1408506,5.404695019,23.70751559,1.975626299,0,0,0,242,11,5.214,50,1.239143458,2.164611597,2.928328246,3.718191315,4.828781757,5.798736124,6.944950413,8.008062535,9.001978983,10.15053667,90.77378919,99.96644111,93.01937564,105.6404361,131.2220212,159.8507921,189.7336878,189.6334517,115.6484704,48.10494404,319.2122842,405.1129399,413.9197174,497.3164885,615.6040861,749.5750685,891.5529382,995.1960846,803.5716664,600.5539297,9.062224904,15.5447745,20.67066755,26.21186698,33.9193234,40.77150083,48.81141677,56.41216176,62.55187844,69.55613284,2.340395372,3.202846182,3.472977262,4.259760262,5.307230127,6.447918462,7.680751506,8.809687565,7.868110503,6.792364039,174.6457068,324.7414822,465.9100345,593.6122204,780.462023,934.2132551,1120.335544,1279.571391,1502.5391,1768.67536,2.898300767,4.282453317,4.994350653,6.147568597,7.83750849,9.729709232,12.03113352,14.67392548,14.37239628,13.5579181,0.482297695,0.66966762,0.734983836,0.90449506,1.128876592,1.370765542,1.633358076,1.879771143,1.707996724,1.508270639,362.049442,236.5051207,13.75432242,84.75411568,-55.36476524,-5.022248563,277.2953263,291.869886,18.77657098,0.810310115,0.529326852,0.030783825,0.189689885,-0.123912991,-0.011240395,161.7649787,105.6713293,6.14548019,37.86844041,-24.73717408,-2.243958525,0.094955606,0.099926971,2.312774369,0.958483384,446.8035577,0,1,0,851.0473621,29.17271606,9.476571492,1026.475573,32.03865748,10.08748433,1443.127861,37.98852275,11.30060263,2.618304297,2.618304297,1820.898261,1773.001272,157.2042501,1.027014639,11.58300911,11.27832912,5.56011162,5.921549863,11.40994206,0.926850626,5.428621256,6.615426049,4.666384867,26.74958148,9.625589788,4.386234614,5.883942684,11.31398736,13.02257228,3.062029651,4.519205805,8.137878422,6.94203733,5.148325513,4.051578385,3.026212055,6.408722408,3.442082872,3.816741269,1.032218952,0.977599578,0.864854052,1.29E-15,3.78E-52,2.18E-110,2.47E-190,5.50E-292,0,0,0,0.455696173,6.615154178,0.365531817,7.167665952,1.002590266,1.167412607,0.687307114,1.625901579,3.614861744,0.47310782,1.295343203,1.151167089,1.213921796,0.973817573,1.201508374,0.378814396,1.279429464,0.783785222,0.10753196,0.079096076,0.007001315,0.006091238,9.06E-18,2.66E-54,1.54E-112,1.74E-192,3.87E-294,0,0,0,1.470776201,6.615172933,1.196528584,8.65112776,1.673105853,1.575882655,1.687212922,2.939593544,5.035633009,0.820362056,1.789672277,2.151427783,1.8420455,1.617877161,1.611008775,0.895975566,2.025445091,1.193659689,0.484071304,0.260294104,0.072048308,0.063475394,9.44E-17,2.77E-53,1.60E-111,1.82E-191,4.04E-293,0,0,0,5.124182346,6.615396408,4.386498402,24.66155352,8.712223608,4.101248291,5.544285803,10.48604053,12.26991721,2.839435188,4.263920991,7.559496126,6.399940542,4.819165175,3.816159383,2.85592257,5.988233161,3.232384512,3.455026227,0.969145012,0.871103497,0.770569389,1.15E-15,3.36E-52,1.94E-110,2.20E-190,4.90E-292,0,0,0,2.167596818,6.615196717,1.780907106,10.41582497,2.456925245,1.93008719,2.391681063,4.038513558,6.159272605,1.112543204,2.177628519,2.964526804,2.43389854,2.121777184,1.943265418,1.257887707,2.626929341,1.514439139,0.855558616,0.388646148,0.1562131,0.137877038,2.05E-16,6.02E-53,3.48E-111,3.94E-191,8.76E-293,0,0,0,6.555821512,6.615550554,5.721516674,35.49027117,13.44504852,5.541251269,7.165976501,14.64615539,16.00996953,3.958980358,5.530176935,10.4504318,9.166527196,6.450625304,4.992421503,3.66604795,8.086502152,4.271820251,5.308882762,1.271117607,1.425358743,1.261308354,1.88E-15,5.51E-52,3.18E-110,3.61E-190,8.02E-292,0,0,0,3.041474642,5.512113434,2.596062986,12.66058933,3.783040373,2.54476148,3.281428392,5.599828897,7.170015374,1.478766742,2.658617971,4.270135307,3.294786068,3.0003575,2.449901961,1.854058249,4.021020094,2.299390784,1.556692802,0.632044062,0.314693915,0.277971567,4.14E-16,1.21E-52,7.01E-111,7.95E-191,1.77E-292,0,0,0,11.74056204,1.183754237,0.727845862,0.859978216,0.086708188,0.564730694,0.393304162,0.397580091,13.65216214,23.30485018,47.07257048,0.789967324,1.355614947,11.01910542,0.632405371,0.337170251,0.919125747,0.052750204,0.497450193,0.113934836,0.085399565,11.98868104,10.89708428,25.23535019,0.878688621,0.696784594,11.28071537,0.832520417,0.479041309,0.895843959,0.066113572,0.521339839,0.196214949,0.172247657,12.59227709,15.19416618,32.2853242,0.843765939,0.889802446,11.71995833,1.168032406,0.716711695,0.861463776,0.08585505,0.562748299,0.383060891,0.385503986,13.60470243,22.92626482,46.34224231,0.792195664,1.331313177,11.40724314,0.929233155,0.54756726,0.885377567,0.072122789,0.533100896,0.243822194,0.225016515,12.88404355,17.35503905,36.04328928,0.828066351,1.001939605,11.80612215,1.233770492,0.763266351,0.855320304,0.089383198,0.571062499,0.426770377,0.437240375,13.80315899,24.51895641,49.43988752,0.782980456,1.435073251,11.76126035,1.171274721,0.717149236,0.861650723,0.085809656,0.566718765,0.384976801,0.385771152,13.6496843,23.05022458,46.5791179,0.792476084,1.337466719 +UMLKV0150,L,N-DECYLBENZENE,CCCCCCCCCCC1=CC=CC=C1,C16H26,Aromatic (single ring),Aromatics,104-72-3,3.487633263,PubChem,,3.0894,0,-0.9825,0.96530625,63.7926,45.496618,6,6,42,16,26,0,16,0,0,0,0,0,0,0,0,0,2334.6436,2623.010224,3057.930137,2824.097991,2354.984364,2136.045587,1939.288858,1742.532129,1545.7754,7584.447783,9759.422454,13194.88647,13509.83823,11895.07767,10720.97358,9714.175239,8707.376894,7700.578549,295.32832,305.706688,557.574308,758.28246,714.308016,650.62478,587.73988,524.85498,461.97008,56.18233553,73.57455206,107.310326,117.2980018,105.5906689,95.23127721,86.20974835,77.1882195,68.16669064,6836.56865,6009.895938,11877.52072,17477.70666,16637.95595,15222.591,13743.63585,12264.68069,10785.72554,73.02777778,89.16666667,141.0833333,168.5,153.25,138.8333333,126.5833333,114.3333333,102.0833333,55.58675238,62.45262438,39.20423253,26.14905547,23.088082,22.96823212,23.08677212,23.23376172,23.42083939,180.5820901,232.3672013,169.1652111,125.0910947,116.6184086,115.2792858,115.6449433,116.0983586,116.6754326,7.031626667,7.278730667,7.148388564,7.021133889,7.003019765,6.995965376,6.996903333,6.9980664,6.999546667,1.337674655,1.751775049,1.375773411,1.086092609,1.035202636,1.023992228,1.026306528,1.02917626,1.032828646,162.775444,143.0927604,152.2759066,161.8306172,163.1172152,163.6837742,163.6147125,163.5290759,163.4200839,1.738756614,2.123015873,1.808760684,1.560185185,1.50245098,1.492831541,1.506944444,1.524444444,1.546717172,0.081876906,-0.001062082,-0.034319963,-0.011845503,-0.004270624,0.006789365,8.93E-04,3.72E-05,-1.06E-04,1199.129994,-1.58E-12,-399.4354719,-22.2366139,-75.76920291,14.00083097,11.5300961,9.059361218,6.58862634,2229.833428,-7.11E-14,-742.7673164,-41.34993308,-140.8960683,26.03514305,21.44070604,16.84626903,12.25183202,0.234901333,2.60E-15,-0.078246667,-0.004356,-0.014842667,0.002742667,0.002258667,0.001774667,0.001290667,9.968392917,1.78E-14,-3.320515498,-0.18485344,-0.629870981,0.116389203,0.095849932,0.075310661,0.05477139,54.14846853,-6.35E-13,-18.03709288,-1.00412682,-3.421469166,0.632227998,0.520658351,0.409088705,0.297519058,5.725529101,0.766534392,0.028911565,0.410147392,-0.613851096,-0.126369992,-0.21494709,-0.303524187,-0.392101285,0.00194945,-2.53E-05,-4.40E-04,-1.10E-04,-4.19E-05,7.30E-05,1.06E-05,4.96E-07,-1.61E-06,28.55071414,-3.77E-14,-5.120967588,-0.205894573,-0.742835323,0.15054657,0.137263049,0.120791483,0.099827672,53.0912721,-1.69E-15,-9.522657903,-0.382869751,-1.381334003,0.279947775,0.2552465,0.22461692,0.185633819,0.005592889,6.20E-17,-0.001003162,-4.03E-05,-1.46E-04,2.95E-05,2.69E-05,2.37E-05,1.96E-05,0.237342688,4.24E-16,-0.042570712,-0.001711606,-0.006175206,0.001251497,0.001141071,0.001004142,8.30E-04,1.289249251,-1.51E-14,-0.231244781,-0.009297471,-0.033543815,0.006798151,0.006198314,0.005454516,0.004507865,0.136322121,0.018250819,3.71E-04,0.003797661,-0.006018148,-0.001358817,-0.002558894,-0.004046989,-0.005940929,-0.012971691,-0.225704424,-0.056262319,-0.02147727,0.037448473,0.005451974,2.54E-04,-8.28E-04,-1.32E-15,-0.179363905,-0.007211538,-0.0260181,0.005272953,0.004807692,0.004230769,0.003496503,-3.19E-17,-0.179363905,-0.007211538,-0.0260181,0.005272953,0.004807692,0.004230769,0.003496503,1.11E-14,-0.179363905,-0.007211538,-0.0260181,0.005272953,0.004807692,0.004230769,0.003496503,1.79E-15,-0.179363905,-0.007211538,-0.0260181,0.005272953,0.004807692,0.004230769,0.003496503,-1.17E-14,-0.179363905,-0.007211538,-0.0260181,0.005272953,0.004807692,0.004230769,0.003496503,0.133880097,0.002719009,0.027857995,-0.044146525,-0.009967693,-0.018770937,-0.029686959,-0.043580077,1.235780632,1.255497675,0.955202039,0.917159996,0.841974431,0.878305079,0.904336119,0.932634086,1.28125,1.300203402,0.977363782,0.9739819,0.934708437,0.936298077,0.938269231,0.940777972,1.28125,1.300203402,0.977363782,0.9739819,0.934708437,0.936298077,0.938269231,0.940777972,1.28125,1.300203402,0.977363782,0.9739819,0.934708437,0.936298077,0.938269231,0.940777972,1.28125,1.300203402,0.977363782,0.9739819,0.934708437,0.936298077,0.938269231,0.940777972,1.28125,1.300203402,0.977363782,0.9739819,0.934708437,0.936298077,0.938269231,0.940777972,1.10823611,0.988195413,0.842622541,0.863911557,0.824531332,0.870249509,0.926940049,0.999091644,148.4627584,74.23137922,120.2843483,148.4627584,9.278922403,74.23137922,-1.71E-13,0.261525995,0.016345375,-2.145954546,112.012241,7.000765061,7.549773056,148.4627584,74.23137922,120.2843483,148.4627584,9.278922403,74.23137922,-1.71E-13,0.261525995,0.016345375,-2.145954546,112.012241,7.000765061,7.549773056,148.4627584,74.23137922,120.2843483,148.4627584,9.278922403,74.23137922,-1.71E-13,0.261525995,0.016345375,-2.145954546,112.012241,7.000765061,7.549773056,148.4627584,74.23137922,120.2843483,148.4627584,9.278922403,74.23137922,-1.71E-13,0.261525995,0.016345375,-2.145954546,112.012241,7.000765061,7.549773056,148.4627584,74.23137922,120.2843483,148.4627584,9.278922403,74.23137922,-1.71E-13,0.261525995,0.016345375,-2.145954546,112.012241,7.000765061,7.549773056,148.4627584,74.23137922,120.2843483,148.4627584,9.278922403,74.23137922,-1.71E-13,0.261525995,0.016345375,-2.145954546,112.012241,7.000765061,7.549773056,178.2046878,88.55864073,145.9458218,178.0171878,11.12607424,88.55864073,-0.3,0.334724137,0.020920259,-1.751117692,105.4657521,6.591609507,7.453418041,0,11.85,12.15020408,-0.210044169,0.090185738,5.128245424,8.755931274,16,42,39,36,10,3,0,0,0,6,28.423382,3.785296008,3.506196953,3.328674806,3.078891331,2.799196119,2.619181914,2.514297235,2.204299931,1.996332956,1.913687622,1.783041699,1.59959491,1.384085745,1.165561461,1.082250302,0.975995835,3.797677687,3.53448639,3.359772542,3.113602958,2.836317571,2.645815032,2.556885812,2.261037641,1.960168184,1.856293223,1.718101256,1.524367158,1.29780323,1.069024754,1.007167592,0.871103481,3.854393682,3.657749179,3.49618626,3.268379027,3.006474335,2.771820215,2.746597847,2.503051779,1.866250807,1.682115994,1.523287257,1.299467462,1.041401703,0.798620231,0.785043977,0.549512486,3.806907924,3.555269056,3.382676196,3.139330176,2.864095253,2.665925019,2.588374676,2.302530873,1.938464576,1.819150124,1.676356724,1.476055429,1.242419829,1.007274441,0.960278991,0.803421927,3.883695789,3.717035976,3.562186278,3.344212108,3.091984755,2.84073105,2.838078588,2.615278807,1.839625214,1.626701372,1.461710191,1.228959315,0.962497667,0.738564276,0.698092794,0.443145378,3.930442804,3.508564371,3.365912131,3.150588851,2.903293954,2.845763081,2.643081429,2.35547097,1.88844682,1.803850805,1.651410678,1.436780121,1.185272356,0.930654846,0.778249264,0.705909051,0,0,0,5,1,1,9,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.612372436,0.649519053,0.219416097,0.27300174,0.255985446,11.47684521,7.931851653,5.767584714,4.190670698,3.042710979,2.207707785,1.184021663,0.774729747,0.717302825,0.495740728,0.339269689,0.232815039,0.160142683,0.110385389,0.078934778,0.055337839,10.75071238,6.971343774,4.710472294,3.161829883,2.10768486,1.394596295,0.807018307,0.508148118,0.671919524,0.435708986,0.277086606,0.175657216,0.110930782,0.069729815,0.05380122,0.036296294,23.04376145,40.5418791,38.43137255,38.88,26.38120838,319.5954,0.548660987,0.965282836,0.91503268,0.925714286,0.628124009,7.609414286,5.3698,72.756,100.0344128,153.4627491,200.0688256,12.5043016,100.0344128,0.166110359,0.010381897,-2.872164638,144.7448209,9.046551309,7.959955738,323,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,10,0,0,5,0,0,0,0,0,0,0,0,1,0,9,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.34107887,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.949524155,0,2.439983893,0,0,1.949524155,0,0,0,0,0,0,0,0,2.277638687,0,12.54794911,0,0,10.84711314,0,0,0,0,1.493965727,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.493965727,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.37125584,0,0.209772428,0,0,0.37125584,0,0,0,0,0,0,0,0,2.277638687,0,1.259722222,0,0,2.094474677,0,0,0,0,1.493965727,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.23734943,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.411903818,0,0.359305556,0,0,0.411903818,0,0,0,0,0,0,0,0,2.277638687,0,1.44362796,0,0,2.23734943,0,0,0,0,1.493965727,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,27.16666667,1.697916667,0.411903818,2.277638687,0.110491952,1.259722222,10.57413136,0.240277778,0.277638687,2.249503651,0.240277778,0.277638687,2.249503651,8,0.5,0,0,0.45238,0.7,0.43333,0.43333,0.7,0.01905,0.01905,0,0,0.71429,0,0,0.0625,0.0625,0,14,0.875,8,0.5,6,0.375,-2,-0.125,0,0,15.18158,0.94885,20.52214,5.34056,0.33379,5.94966,0.37185,7.93185,1.98218,0.12389,-0.01785,-0.00112,0.06815,0.00426,0.142857143,16,0,0,0,0,0,0,0.625,0.958711883,2.071890117,2.901146221,3.665428732,4.0979239,4.210139221,40.26589909,87.01938493,121.8481413,153.9480067,172.1128038,176.8258473,0.177792182,0.384229999,0.538014733,0.679750179,0.759955985,0.780766207,4.43360554,3.320427305,2.491171202,1.726888691,1.294393523,1.182178201,0.174569834,0.377266121,0.528263624,0.667430222,0.746182359,0.766615412,6.796536395,15.34870622,19.67707825,23.13379287,24.41897815,24.20620264,62.05497356,47.47689848,37.2428435,28.43794098,24.79773552,25.17023685,14.0625,10.17301038,7.864197531,10,6,10,3.22,2.1254,0,2.32538887,0.1,0,23.51273329,4.698051033,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,7.911,17,18,19,20,15,14,13,12,11,171,2.995732274,3.277144733,3.604138226,3.963191292,4.342993404,3.81908501,3.796892698,3.774196689,3.750973584,3.727198318,6.081362379,2.553362573,0.461538462,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0.5625,10,0.625,1,7,13,0.857142857,1,0.444444444,0.1875,0.151111111,0.090277778,0.060408163,0.043402778,0.032753842,0.025625,0.020610142,0.0625,0.026143791,0.0125,0.012592593,0.008207071,0.006040816,0.004822531,0.00409423,0.003660714,0.003435024,0.15905731,79.2970288,126.5176831,158.5940576,9.9121286,79.2970288,0.163654708,0.010228419,-2.895994413,148.0659251,9.254120318,7.996252183,0,254.1263779,5,4.204692619,4.919980926,5.65248918,6.385194399,7.128495946,7.869783903,8.619569258,9.366403508,10.12089468,96.26750442,3.496507561,0,4.615120517,0,5.910796644,0,7.292337176,0,8.721439306,9.001715907,218.2034508,5.195320258,31.70844373,1.981777733,0,0,0,612,15,7.49,66,1.242150089,2.163480803,2.911473642,3.685492077,4.880192996,5.878416162,7.118054044,8.225327328,9.444064953,10.56902978,88.33029077,93.07913637,87.79932969,104.7835578,130.7927037,158.5024307,186.8765572,215.8351585,245.5519229,276.4638497,313.7630553,388.3364542,395.2388883,492.3136618,616.351851,750.4989443,890.2681761,1030.838735,1174.952903,1321.089519,9.075689665,15.51103538,20.50298694,25.9765551,34.26491821,41.31350835,49.96735418,57.75459547,66.28377554,74.19918286,2.312305678,3.109080887,3.344619755,4.2159126,5.326498487,6.481574402,7.72311891,8.944536012,10.21062114,11.46896121,175.600133,326.238355,466.9044947,588.7861988,789.9239718,948.3167514,1152.733942,1330.873284,1530.227543,1710.999547,2.714571977,4.01118257,4.668096139,5.825210199,7.500312834,9.177262324,11.13375447,13.06362292,15.21172392,17.48578528,0.476967639,0.651499366,0.709074116,0.895189303,1.133492138,1.37885723,1.64448856,1.904514945,2.174795434,2.442302429,485.5347154,420.2144986,17.0301999,87.01841859,-75.31161002,-5.142383989,398.5162968,495.5261087,22.17258388,0.848016868,0.733931008,0.029744313,0.151983132,-0.131536456,-0.008981497,277.994423,240.5951281,9.750694323,49.82266828,-43.11989834,-2.944288069,0.071670846,0.075423146,1.745642014,0.723446653,572.553134,0,1,0,1099.373639,33.15680381,10.32084145,1352.298138,36.77360654,11.05836236,1908.191371,43.68284984,12.40339694,3.543185988,3.543185988,5227.061219,5180.779742,199.1422169,1.008933303,26.24788104,26.0154769,7.106543738,8.302825165,16.29356092,0.962411661,7.659825684,10.40949528,5.851714893,46.64109254,17.52498838,4.386297176,9.061194983,11.86609725,30.48016644,3.185276658,4.520830115,26.22993593,6.654165612,26.55086935,4.603257768,3.606305447,12.51468864,8.74993385,15.93707686,4.405694092,5.955051692,4.502873964,7.59163506,2.583422095,5.884734461,3.806642149,4.706109618,2.015856589,2.212189719,0.455794639,0.642945699,10.40905499,0.453999546,11.22123635,1.058855642,1.167474657,1.177543383,1.629791557,7.93067036,0.473975968,1.296967508,2.39988152,1.211103276,5.48782251,1.212123731,0.407766412,1.576674832,1.251482736,2.829548196,0.435906725,0.503471239,1.173700555,1.138015432,0.550695696,0.371213353,0.785988421,0.60983324,0.366757626,0.139235848,0.018870088,2.075240499,10.40908531,1.489367211,13.77594758,2.254493724,1.575944739,2.725865804,2.980118939,11.01406306,0.82940797,1.791296582,6.309955289,1.818885069,8.813756398,1.668789165,0.982797866,3.018030325,2.273551872,4.713062397,1.011255335,1.300641585,1.688590154,1.920180763,0.781161575,1.231528727,1.307560652,1.238765943,0.702707582,0.479984053,0.073686032,7.230257319,10.40944726,5.497773038,42.8187705,15.75087883,4.101310797,8.557019452,10.97796148,28.56217484,2.949246128,4.265545301,24.43353098,6.142907361,24.91701867,4.312329671,3.382949403,11.56512623,8.110984889,14.85445579,4.079542085,5.50965626,4.240811094,7.007228618,2.393725296,5.453412867,3.588109353,4.382036378,1.914664217,2.056139575,0.416887579,3.058465976,10.40912381,2.219836458,16.91785125,3.71822891,1.930149319,3.806822764,4.126536632,13.58186872,1.132191869,2.179252825,9.277404755,2.385537499,11.385953,2.052211575,1.400656749,4.242436849,3.126161772,6.241200559,1.475981464,1.941586203,2.090938367,2.616011643,0.994138253,1.900825451,1.693813359,1.732031872,0.933524533,0.738359084,0.121520526,9.250323987,10.409697,7.188882019,62.67135958,24.96352648,5.541314068,10.95239167,15.45135114,38.19194826,4.138724178,5.531801246,33.26447309,8.74927343,32.99130751,5.775043185,4.464566238,16.34834738,11.31993624,20.26366729,5.707669767,7.730924759,5.539317015,9.97038825,3.359875825,7.588213166,4.653932973,5.989236033,2.390794031,2.823065568,0.61365543,4.443326358,8.909819361,3.393620167,22.28657604,6.824217438,2.746404325,5.257952469,6.234957256,16.49673431,1.638664606,2.87049955,13.34317026,3.453061669,14.50976532,2.846545442,2.175465938,6.600958149,4.675981832,8.562186128,2.355186768,3.113453578,2.878947389,4.000158695,1.52584616,3.217603653,2.598335477,2.837966329,1.450659951,1.325102916,0.228756631,23.84388198,1.072728174,0.774901444,0.928084044,0.041754187,0.567511399,0.39998425,0.412591558,25.6915116,44.88592115,90.39786496,0.892126066,1.380087207,24.0507558,0.562379075,0.350219711,0.963442462,0.022528185,0.577209967,0.115705018,0.085232513,24.96335458,22.14564677,51.84594772,0.945163693,0.778147498,23.97326627,0.752357942,0.508630569,0.9500287,0.029814946,0.573542162,0.202715787,0.179025268,25.23425478,30.61268559,65.02084407,0.92504305,0.955283218,23.84950067,1.058733676,0.763285491,0.92902566,0.041241566,0.567770757,0.390090174,0.400438408,25.67151983,44.26236341,89.20704762,0.893538491,1.358299339,23.93681868,0.84220827,0.583395058,0.943790726,0.033206934,0.571831183,0.251767425,0.235053333,25.36242201,34.6157485,71.7392904,0.915686089,1.058651941,23.82611151,1.117038706,0.811673788,0.925112573,0.043372019,0.566692684,0.432058139,0.452235214,25.754824,46.86038999,94.21765925,0.88766886,1.450986036,23.94701798,1.062125245,0.765308256,0.929099034,0.041208452,0.572413878,0.391978224,0.402354075,25.77445148,44.57443612,89.81429825,0.893648551,1.366746176 +UMLKV0151,L,N-DODECYLBENZENE,CCCCCCCCCCCCC1=CC=CC=C1,C18H30,Aromatic (single ring),Aromatics,123-01-3,3.603008067,PubChem,,4.2604,0,-1.5585,2.42892225,69.6158,51.68379,6,6,48,18,30,0,18,0,0,0,0,0,0,0,0,0,2627.236098,2959.966818,3445.347211,3217.611449,2748.497822,2529.559045,2332.802316,2136.045587,1939.288858,8555.816564,11065.40272,15021.98069,15523.43492,13908.67436,12734.57027,11727.77193,10720.97358,9714.175239,337.283208,349.258248,643.033324,884.05226,840.077816,776.39458,713.50968,650.62478,587.73988,63.53858715,83.6065293,122.6857063,135.3410595,123.6337266,113.2743349,104.2528061,95.23127721,86.20974835,7829.82797,6875.974841,13725.92511,20435.61697,19595.86626,18180.50131,16701.54616,15222.591,13743.63585,81.52777778,99.66666667,159.5833333,193,177.75,163.3333333,151.0833333,138.8333333,126.5833333,54.73408537,61.66597538,38.28163568,25.5365988,22.90414852,22.78882023,22.87061094,22.96823212,23.08677212,178.2461784,230.5292234,166.9108965,123.2018644,115.9056197,114.7258583,114.9781562,115.2792858,115.6449433,7.0267335,7.2762135,7.144814711,7.016287778,7.000648467,6.994545766,6.995192941,6.995965376,6.996903333,1.323720566,1.741802694,1.363174515,1.074135393,1.030281055,1.020489504,1.022086334,1.023992228,1.026306528,163.121416,143.2494759,152.510279,162.1874363,163.2988855,163.7883001,163.7406486,163.6837742,163.6147125,1.69849537,2.076388889,1.773148148,1.531746032,1.48125,1.471471471,1.48120915,1.492831541,1.506944444,0.090322011,-0.001062082,-0.038542515,-0.011845503,-0.004270619,0.006789504,8.95E-04,5.83E-05,-4.32E-07,1361.992601,-1.95E-12,-480.4807232,-18.91656391,-75.66625562,13.24159473,11.34993834,9.458281953,7.566625563,2532.683401,-2.63E-12,-893.4744221,-35.17615835,-140.7046334,24.62331084,21.10569501,17.58807917,14.07046334,0.266805,2.07E-15,-0.094122875,-0.003705625,-0.0148225,0.002593937,0.002223375,0.001852812,0.00148225,11.3222732,2.28E-14,-3.99424638,-0.157253795,-0.629015178,0.110077656,0.094352277,0.078626897,0.062901518,61.50276775,-8.41E-13,-21.69680973,-0.854205108,-3.41682043,0.597943575,0.512523065,0.427102554,0.341682043,6.110532407,0.851273148,-0.051576968,0.513671875,-0.556423611,-0.075050637,-0.142867477,-0.210684317,-0.278501157,0.001881709,-2.21E-05,-4.28E-04,-9.40E-05,-3.56E-05,6.12E-05,8.77E-06,6.27E-07,-5.14E-09,28.37484586,-4.07E-14,-5.338674702,-0.15013146,-0.63055213,0.119293646,0.111273905,0.101701956,0.090078876,52.76423752,-5.48E-14,-9.927493579,-0.27917586,-1.172538612,0.221831629,0.206918579,0.189119131,0.167505516,0.005558437,4.31E-17,-0.00104581,-2.94E-05,-1.24E-04,2.34E-05,2.18E-05,1.99E-05,1.76E-05,0.235880692,4.75E-16,-0.044380515,-0.001248046,-0.005241793,9.92E-04,9.25E-04,8.45E-04,7.49E-04,1.281307661,-1.75E-14,-0.241075664,-0.006779406,-0.028473504,0.005386879,0.005024736,0.004592501,0.004067643,0.127302758,0.017734857,-5.73E-04,0.004076761,-0.004636863,-6.76E-04,-0.001400662,-0.002265423,-0.00331549,-0.011758839,-0.227585811,-0.04996094,-0.018912859,0.032505941,0.004662843,3.33E-04,-2.73E-06,-1.43E-15,-0.188148148,-0.005291005,-0.022222222,0.004204204,0.003921569,0.003584229,0.003174603,-1.04E-15,-0.188148148,-0.005291005,-0.022222222,0.004204204,0.003921569,0.003584229,0.003174603,7.76E-15,-0.188148148,-0.005291005,-0.022222222,0.004204204,0.003921569,0.003584229,0.003174603,2.02E-15,-0.188148148,-0.005291005,-0.022222222,0.004204204,0.003921569,0.003584229,0.003174603,-1.37E-14,-0.188148148,-0.005291005,-0.022222222,0.004204204,0.003921569,0.003584229,0.003174603,0.139312435,-0.004501689,0.032024136,-0.036423904,-0.005311211,-0.011002602,-0.017795551,-0.026044133,1.260978612,1.277189634,0.955436392,0.919975911,0.851831564,0.880872702,0.899501654,0.917761547,1.305555556,1.322962963,0.978130511,0.974814815,0.940940941,0.94204793,0.943369176,0.944973545,1.305555556,1.322962963,0.978130511,0.974814815,0.940940941,0.94204793,0.943369176,0.944973545,1.305555556,1.322962963,0.978130511,0.974814815,0.940940941,0.94204793,0.943369176,0.944973545,1.305555556,1.322962963,0.978130511,0.974814815,0.940940941,0.94204793,0.943369176,0.944973545,1.305555556,1.322962963,0.978130511,0.974814815,0.940940941,0.94204793,0.943369176,0.944973545,1.12169713,1.005372984,0.836821669,0.852845913,0.811317616,0.845200359,0.885641052,0.934747609,194.1706613,97.08533064,157.2484782,194.1706613,10.78725896,97.08533064,-1.56E-13,0.234765208,0.013042512,-2.60850488,148.0417871,8.224543729,8.995490243,194.1706613,97.08533064,157.2484782,194.1706613,10.78725896,97.08533064,-1.56E-13,0.234765208,0.013042512,-2.60850488,148.0417871,8.224543729,8.995490243,194.1706613,97.08533064,157.2484782,194.1706613,10.78725896,97.08533064,-1.56E-13,0.234765208,0.013042512,-2.60850488,148.0417871,8.224543729,8.995490243,194.1706613,97.08533064,157.2484782,194.1706613,10.78725896,97.08533064,-1.56E-13,0.234765208,0.013042512,-2.60850488,148.0417871,8.224543729,8.995490243,194.1706613,97.08533064,157.2484782,194.1706613,10.78725896,97.08533064,-1.56E-13,0.234765208,0.013042512,-2.60850488,148.0417871,8.224543729,8.995490243,194.1706613,97.08533064,157.2484782,194.1706613,10.78725896,97.08533064,-1.56E-13,0.234765208,0.013042512,-2.60850488,148.0417871,8.224543729,8.995490243,230.2171478,114.5340259,188.1046349,230.0015099,12.77786166,114.5340259,-0.32345679,0.299424728,0.016634707,-2.170605992,134.1219368,7.451218711,8.817748852,0,11.85,12.15023662,-0.21004417,0.090220233,5.127305401,8.757775167,18,48,45,42,12,3,0,0,0,6,32.79621,3.785298223,3.524468072,3.390732549,3.193876448,2.958378237,2.710525924,2.619181914,2.455466349,1.996608397,1.928930204,1.828430439,1.684521172,1.509049645,1.318587213,1.133027429,1.082250302,3.797680512,3.552519303,3.420825709,3.227093998,2.994574444,2.74922552,2.645815032,2.501035496,1.960279248,1.871846242,1.766011537,1.613998671,1.429143289,1.228884019,1.034219852,1.007167592,3.854402846,3.674734812,3.552469117,3.373748844,3.157437763,2.925998949,2.771820215,2.701398193,1.866262694,1.698900527,1.578573762,1.403012644,1.190349713,0.962275969,0.798620231,0.741477898,3.80691132,3.573125245,3.442965858,3.251619845,3.02149456,2.778127682,2.665925019,2.534601008,1.938529279,1.834925848,1.725869481,1.568719064,1.377810133,1.171279954,0.970889973,0.960278991,3.883713386,3.73354076,3.616025207,3.445064222,3.237787135,3.01483728,2.838078588,2.799277596,1.839631888,1.643948112,1.519242153,1.33657072,1.115780206,0.880336977,0.738564276,0.650595699,3.944735207,3.531809023,3.424316947,3.255665442,3.048469537,2.859953855,2.827272305,2.591962339,1.882696308,1.816075458,1.699170229,1.532018511,1.327152701,1.104557783,0.886407887,0.765493071,0,0,0,5,1,1,11,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.612372436,0.649519053,0.219416097,0.27300174,0.255985446,12.89105877,8.931851653,6.474691495,4.690670698,3.39626437,2.457707785,1.360798358,0.899729747,0.716169932,0.496213981,0.340773237,0.234533535,0.161726875,0.11171399,0.080046962,0.056233109,12.16492594,7.971343774,5.417579075,3.661829883,2.46123825,1.644596295,0.983795003,0.633148118,0.675829219,0.442852432,0.285135741,0.183091494,0.117201821,0.074754377,0.057870294,0.039571757,26.12741706,46.3175528,43.88235294,44.4,29.97831737,365.6519102,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,6.15,81.99,124.0372929,191.2505066,248.0745859,13.78192144,124.0372929,0.154721055,0.008595614,-3.359036575,172.7599699,9.597776107,9.273425713,419,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,12,0,0,5,0,0,0,0,0,0,0,0,1,0,11,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.37305017,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.937153639,0,2.855569811,0,0,1.937153639,0,0,0,0,0,0,0,0,2.284460706,0,15.5091558,0,0,10.87576719,0,0,0,0,1.497282979,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.497282979,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.36850104,0,0.207229095,0,0,0.36850104,0,0,0,0,0,0,0,0,2.284460706,0,1.26125,0,0,2.09924792,0,0,0,0,1.497282979,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.243780232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.409816144,0,0.359305556,0,0,0.409816144,0,0,0,0,0,0,0,0,2.284460706,0,1.457029034,0,0,2.243780232,0,0,0,0,1.497282979,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,30.16666667,1.675925926,0.409816144,2.284460706,0.10727655,1.26125,12.0136111,0.23875,0.284460706,2.320455784,0.23875,0.284460706,2.320455784,9,0.5,0,0,0.45,0.7,0.43333,0.43333,0.7,0.01667,0.01667,0,0,0.71429,0,0,0.05556,0.05556,0,15,0.83333,9,0.5,6,0.33333,-3,-0.16667,0,0,18.45089,1.02505,23.96922,5.51834,0.30657,6.94966,0.38609,8.93185,1.98218,0.11012,-0.01785,-9.90E-04,0.06815,0.00379,0.125,18,0,0,0,0,0,0,0.666666667,0.954434003,1.990484029,2.760837972,3.480388542,3.931127543,4.175556575,45.81283214,95.54323339,132.5202227,167.05865,188.694122,200.4267156,0.170893538,0.356400608,0.4943342,0.623171336,0.70387716,0.747642723,4.630528498,3.594478472,2.824124529,2.104573959,1.653834958,1.409405926,0.168258539,0.350905285,0.486712086,0.613562688,0.693024113,0.736114858,6.794779896,14.76165509,18.76104215,22.06139498,23.60454759,24.48176857,70.02286694,54.53275904,44.31964683,35.15137917,30.20444735,27.65972311,16.05555556,12.05540166,9.6,12,6,12,3.44,2.4072,0,2.360658271,0.083333333,0,27.65379676,4.587741322,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,8.909,19,20,21,22,17,16,15,14,13,193,3.091042453,3.349904087,3.657130756,4.000491653,4.3686564,3.862044636,3.840795496,3.81908501,3.796892698,3.774196689,6.13041094,2.376295337,0.466666667,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,0.611111111,12,0.666666667,2,8,15,0.875,1,0.444444444,0.1875,0.151111111,0.090277778,0.060408163,0.043402778,0.032753842,0.025625,0.020610142,0.055555556,0.023391813,0.011029412,0.010793651,0.006944444,0.005034014,0.003945707,0.003275384,0.002847222,0.002576268,0.141142915,102.3701925,163.6529944,204.7403851,11.37446584,102.3701925,0.149844923,0.008324718,-3.416677861,261.6782251,14.53767917,10.02080808,0,288.7183472,5.169925001,4.317488114,5.030437921,5.758901774,6.487684018,7.22620901,7.963112059,8.707978827,9.450380371,10.20006742,101.1422595,3.610917913,0,4.727387819,0,6.013715156,0,7.383368147,0,8.800415333,9.084663764,246.234751,5.129890645,35.70849013,1.983805007,0,0,0,889,17,8.628,74,1.243089661,2.163141564,2.906658041,3.676499787,4.893393179,5.897164406,7.15435103,8.266610974,9.511094187,10.65267384,87.56669752,91.01294495,86.30788799,104.5479162,130.6824736,158.1851692,186.2926489,214.730605,243.716246,273.2906979,312.0601713,383.3035085,389.9015085,490.9378845,616.5438447,750.7163268,890.0295426,1029.739311,1172.302109,1315.76264,9.079897403,15.50091364,20.4550782,25.91184434,34.35365202,41.44103953,50.20975412,58.03015445,66.72621458,74.74873704,2.303527649,3.080951299,3.307946182,4.203854492,5.331445769,6.489493447,7.732151976,8.951066317,10.21367019,11.46197085,175.8983912,326.6874168,467.1886261,587.4590428,792.353391,951.6352211,1159.526747,1338.58405,1543.148347,1727.27695,2.65715673,3.929801346,4.574880564,5.73656164,7.413735571,9.050272815,10.95246272,12.78721599,14.80259581,16.82525561,0.475301997,0.64604889,0.701671339,0.89263022,1.13467721,1.380761157,1.646850461,1.906511428,2.176465586,2.442315082,549.9983641,534.3681111,18.73784016,88.87388902,-86.3482063,-5.249668013,461.124475,620.7163174,23.98750818,0.860889421,0.83642404,0.029329557,0.139110579,-0.135157234,-0.008217086,351.378694,341.3929591,11.97108616,56.77906172,-55.16547311,-3.353867231,0.063843126,0.067185609,1.55498712,0.693030146,638.8722531,0,1,0,1223.536777,34.97909057,10.69561289,1515.209421,38.92569101,11.48570226,2141.550256,46.27688684,12.88969844,3.893352255,3.893352255,7895.818448,7844.741083,218.1125765,1.006511033,36.20065645,35.96647754,7.796289764,9.770048772,18.75320652,0.919458844,8.775427898,12.3065299,6.444379906,56.58684806,21.47468768,4.386328457,10.64982113,12.14215219,39.20896351,3.246900162,4.52164227,35.32838832,6.875242782,38.48094257,4.603394129,3.610386487,18.61147875,8.749955826,29.55958689,4.405695324,5.973960108,9.735363883,7.670684657,13.7983863,5.100730369,5.48738929,3.977598893,6.594175477,2.19039138,5.576677898,0.736570462,12.30600539,0.49823341,13.24802155,1.086988331,1.167505682,1.422661517,1.631736545,10.08857467,0.474410042,1.29777966,3.02460796,1.212660342,7.787094438,1.212124692,0.411844389,1.780631435,1.251482895,5.051463226,0.435906733,0.515563364,1.247178658,1.133701944,2.474736913,0.273665741,0.872789903,1.133150507,1.230584047,0.453900645,0.390265587,2.377472647,12.3060415,1.635786525,16.33835748,2.54518766,1.575975781,3.245192245,3.000381636,14.00327808,0.833930927,1.792108735,8.393066641,1.835110883,12.58824629,1.668799175,0.986876468,3.873245382,2.273553489,8.692612954,1.011255425,1.313206586,2.16492706,1.913469948,4.211038726,0.937555168,1.547555281,1.57384827,1.936520504,0.668617545,1.241862665,8.283294806,12.30647269,6.053410357,51.897379,19.27020644,4.10134205,10.06338628,11.22392196,36.70830365,3.004151598,4.266357456,32.91725693,6.33988314,36.08393112,4.312451167,3.387030254,17.10602544,8.111004469,27.57757031,4.079543183,5.527822462,8.927448841,7.07430693,12.90171053,4.691514112,5.110369958,3.753966582,6.12824495,2.034650029,5.185918397,3.503900555,12.30608736,2.439301134,20.1688644,4.348880742,1.930180383,4.514393615,4.170548169,17.29316678,1.142016202,2.180064978,12.44220123,2.420782135,16.31881314,2.052233316,1.404735779,5.708500241,3.126165279,11.59639993,1.47598166,1.954748532,3.036884684,2.61341941,5.573713525,1.488729918,2.090089675,1.917917067,2.536592322,0.857505034,1.887937835,10.59757523,12.30677022,7.922564692,76.26190378,30.72276546,5.541345467,12.84559925,15.85394902,49.28293762,4.228596088,5.532613402,44.74794869,9.071693704,47.94409731,5.775242053,4.468647972,24.72491342,11.31996829,37.44497595,5.707671563,7.752950191,13.0540236,10.10156006,17.34937536,6.744979532,6.990638979,4.86180906,8.475512929,2.823160818,7.106655519,5.156484971,10.66480303,3.787030575,27.30068347,8.411433152,2.818976278,6.277800344,6.497941669,21.42753954,1.703890505,2.946975164,18.20455064,3.622986009,21.08266557,2.921786256,2.236199779,9.312042159,4.799506975,15.72789421,2.417400098,3.207810636,4.894724205,4.113076594,7.770870032,2.539330996,3.0711685,2.652136341,3.836705658,1.317400657,3.190499504,31.4949056,1.04614376,0.770149025,0.945475009,0.031405167,0.56733619,0.413524982,0.410981009,33.31119838,58.00965641,116.6958781,0.918212514,1.391842182,32.26844928,0.546738585,0.339147889,0.973279921,0.016490711,0.595353647,0.120077922,0.080977886,33.15433576,28.77160799,67.9093286,0.959919881,0.796409455,31.9777169,0.73423506,0.501207533,0.962802618,0.022106751,0.58472037,0.211352603,0.175924409,33.21315949,39.87463761,84.8557294,0.944203926,0.971997382,31.51580799,1.032629483,0.758506975,0.946223333,0.031003429,0.568081653,0.403536766,0.3988464,33.30694445,57.23236935,115.2242805,0.919335,1.370464819,31.84138712,0.822249414,0.577160196,0.95790084,0.024736152,0.579776807,0.262236195,0.232625248,33.24079673,45.03371278,93.38546492,0.93685126,1.07463825,31.42883339,1.08886769,0.806949795,0.943110657,0.032674542,0.564984076,0.445799288,0.450484629,33.32465088,60.46199345,121.4019521,0.914665986,1.461267993,31.64504088,1.036024207,0.761055219,0.946262994,0.030979621,0.572740771,0.405432545,0.40132082,33.4421203,57.65712353,116.0504608,0.919394491,1.379494135 +UMLKV0152,L,CYCLOHEXYLBENZENE,C1CCC(CC1)C2=CC=CC=C2,C12H16,Aromatic (single ring),Aromatics,827-52-1,3.242374895,PubChem,,1.3777,0,0.5489,0.30129121,50.1769,31.788688,6,6,28,12,16,0,12,0,0,0,0,0,0,0,0,0,1747.426476,2069.146981,2712.84016,2528.36675,1904.914042,1515.46484,884.899684,305.806201,44.449776,5579.542732,7341.505585,10717.99749,11264.71115,9173.864562,7284.60285,4976.170055,2297.696209,592.8798046,197.981616,211.90882,389.122432,551.51564,506.319976,407.424032,315.19912,200.447524,75.100608,40.58060648,54.07240896,83.59242675,94.25708212,79.53653069,63.27192459,45.43908282,23.2652382,6.897536169,4480.214705,4098.287393,8006.342032,12338.04654,11588.21423,9369.974529,7325.718654,4922.947361,1938.708859,51.80555556,64.22222222,104.3333333,129.1666667,116.3333333,96.66666667,73,41,13.5,62.40808843,71.3498959,50.23778074,32.41495833,26.45713947,26.12870414,19.66443742,10.54504141,4.040888727,199.2693833,253.155365,198.481435,144.4193737,127.4147856,125.5966009,110.5815568,79.23090376,53.89816405,7.070772,7.30720069,7.205970963,7.070713333,7.032221889,7.024552276,7.004424889,6.911983586,6.827328,1.449307374,1.864565826,1.548007903,1.20842413,1.104674037,1.090895251,1.009757396,0.802249593,0.627048743,160.0076681,141.3202549,148.2655932,158.1800839,160.9474199,161.551285,162.7937479,169.7568056,176.2462599,1.850198413,2.214559387,1.932098765,1.655982906,1.615740741,1.666666667,1.622222222,1.413793103,1.227272727,0.060504833,-8.16E-05,-0.023031192,-0.009142298,-0.004109319,0.002191916,-0.009472018,0.003553507,0.006561871,830.1669189,39.53175804,-234.7198134,-98.8293951,-93.88792535,-24.70734878,-175.4221763,39.53175804,88.94645559,1543.730835,73.51099214,-436.4715159,-183.7774804,-174.5886063,-45.94437009,-326.2050276,73.51099214,165.3997323,0.162624,0.007744,-0.04598,-0.01936,-0.018392,-0.00484,-0.034364,0.007744,0.017424,6.901195096,0.328628338,-1.951230756,-0.821570845,-0.780492303,-0.205392711,-1.458288249,0.328628338,0.73941376,37.48740129,1.785114347,-10.59911644,-4.462785868,-4.239646575,-1.115696467,-7.921444916,1.785114347,4.016507281,4.225198413,0.960211168,0.125212585,0.34587585,-0.739795918,-1.178784014,-1.745854592,-0.318558673,0.254783163,0.002160887,-2.82E-06,-4.27E-04,-1.17E-04,-5.71E-05,3.78E-05,-2.10E-04,1.23E-04,5.97E-04,29.64881853,1.36316407,-4.346663211,-1.267043527,-1.303998963,-0.425988772,-3.898270585,1.36316407,8.086041417,55.13324411,2.534861798,-8.082805849,-2.356121543,-2.424841755,-0.792144312,-7.249000614,2.534861798,15.0363393,0.005808,2.67E-04,-8.51E-04,-2.48E-04,-2.55E-04,-8.34E-05,-7.64E-04,2.67E-04,0.001584,0.246471253,0.011332012,-0.036133903,-0.01053296,-0.010840171,-0.003541254,-0.032406406,0.011332012,0.067219433,1.33883576,0.061555667,-0.196279934,-0.057215203,-0.05888398,-0.019236146,-0.176032109,0.061555667,0.365137026,0.150899943,0.03311073,0.002318752,0.004434306,-0.010274943,-0.020323862,-0.038796769,-0.010984782,0.023162106,-0.001302863,-0.197374308,-0.05424113,-0.026412248,0.017488954,-0.097408752,0.056705757,0.276059656,0.045977011,-0.146604938,-0.042735043,-0.043981481,-0.014367816,-0.131481481,0.045977011,0.272727273,0.045977011,-0.146604938,-0.042735043,-0.043981481,-0.014367816,-0.131481481,0.045977011,0.272727273,0.045977011,-0.146604938,-0.042735043,-0.043981481,-0.014367816,-0.131481481,0.045977011,0.272727273,0.045977011,-0.146604938,-0.042735043,-0.043981481,-0.014367816,-0.131481481,0.045977011,0.272727273,0.045977011,-0.146604938,-0.042735043,-0.043981481,-0.014367816,-0.131481481,0.045977011,0.272727273,0.219421752,0.015366153,0.029385735,-0.068091101,-0.13468436,-0.257102606,-0.072795136,0.153493138,1.073124211,1.130046051,0.897976094,0.896724347,0.989092134,1.215379287,1.034693464,0.784659914,1.086206897,1.203125,1.009615385,0.984375,0.950431034,1.05,0.814655172,0.536931818,1.086206897,1.203125,1.009615385,0.984375,0.950431034,1.05,0.814655172,0.536931818,1.086206897,1.203125,1.009615385,0.984375,0.950431034,1.05,0.814655172,0.536931818,1.086206897,1.203125,1.009615385,0.984375,0.950431034,1.05,0.814655172,0.536931818,1.086206897,1.203125,1.009615385,0.984375,0.950431034,1.05,0.814655172,0.536931818,0.881411372,0.917116694,0.815846985,0.993543085,1.211940637,1.349049073,1.019131899,0.6535465,58.52759735,29.26379867,44.87165434,58.52759735,4.877299779,29.26379867,-1.42E-14,0.17798268,0.01483189,-2.071282844,73.29275716,6.107729764,5.153354152,58.52759735,29.26379867,44.87165434,58.52759735,4.877299779,29.26379867,-1.42E-14,0.17798268,0.01483189,-2.071282844,73.29275716,6.107729764,5.153354152,58.52759735,29.26379867,44.87165434,58.52759735,4.877299779,29.26379867,-1.42E-14,0.17798268,0.01483189,-2.071282844,73.29275716,6.107729764,5.153354152,58.52759735,29.26379867,44.87165434,58.52759735,4.877299779,29.26379867,-1.42E-14,0.17798268,0.01483189,-2.071282844,73.29275716,6.107729764,5.153354152,58.52759735,29.26379867,44.87165434,58.52759735,4.877299779,29.26379867,-1.42E-14,0.17798268,0.01483189,-2.071282844,73.29275716,6.107729764,5.153354152,58.52759735,29.26379867,44.87165434,58.52759735,4.877299779,29.26379867,-1.42E-14,0.17798268,0.01483189,-2.071282844,73.29275716,6.107729764,5.153354152,70.21066431,34.58515114,54.41495866,70.07490042,5.839575035,34.58515114,-0.271527778,0.328556138,0.027379678,-1.335657076,89.56124955,7.463437462,5.393907292,0,11.85,12.1501417,-0.209908169,0.09026362,6.646907704,9.709946455,13,29,26,23,7,3,0,0,0,6,17.491312,3.821770131,3.510577566,2.870199572,2.750129472,2.619181914,2.357793006,1.456797487,1.365837495,2.042823007,1.852790392,1.372874417,1.338469096,1.082250302,0.92507461,0.666206401,0.578771637,3.83449387,3.534413256,2.897852352,2.792995694,2.645815032,2.393841506,1.556142907,1.461067915,2.005015399,1.804817364,1.285229005,1.264073153,1.007167592,0.839689134,0.522081792,0.4312875,3.893375545,3.638341646,3.027306112,2.981537655,2.771820215,2.55776891,1.9628467,1.862907355,1.905806066,1.658862555,1.05457528,1.018928274,0.798620231,0.591298974,0.037619229,0.061772794,3.844009333,3.551933765,2.918660412,2.824624264,2.665925019,2.420733186,1.62787375,1.530684658,1.982088556,1.77379913,1.228596505,1.217356618,0.960278991,0.785465865,0.425347018,0.33240342,3.924160384,3.688234615,3.094570508,3.072480534,2.838078588,2.63990205,2.141548494,2.043386128,1.877948952,1.612173052,0.993345188,0.933903671,0.738564276,0.515538249,0.135164289,0.235287957,3.931334278,3.520169272,2.922176608,2.839170715,2.786621233,2.477738304,1.689470796,1.592095944,1.989634507,1.694466648,1.226056162,1.209523693,0.784181447,0.669487329,0.323206599,0.222831856,0,0,0,5,1,0,5,1,0,0,0,0,0.204124145,0.11785113,0,0,0,0.134137088,0.069549555,0.333333333,0,0.083333333,0,0.240562612,0,0.048112522,0,0.942809042,1.5,1.885618083,0.617984686,0.898018586,1.029974477,8.22576835,5.966326495,4.796180193,3.966326495,3.211142626,2.558078205,1.178511302,0.833333333,0.685480696,0.458948192,0.299761262,0.198316325,0.133797609,0.091359936,0.058925565,0.041666667,7.499635521,5.015855318,3.745617469,2.876148728,2.161126456,1.598597313,0.643681493,0.409171905,0.624969627,0.385835024,0.234101092,0.143807436,0.090046936,0.057092761,0.032184075,0.020458595,16.33462243,27.10269483,25.80392157,26.08,18.38843593,211.1968192,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,3.7343,52.268,70.38474912,101.4858646,140.7694982,11.73079152,70.38474912,5.55E-17,4.63E-18,-44.9159373,75.88583335,6.323819446,5.195076022,140,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,6,0,0,5,0,0,0,0,0,0,0,0,0,0,5,0,0,5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.51742512,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.930824476,0,1.67848108,0,0,1.930824476,0,0,0,0,0,0,0,0,0,0,7.121510062,0,0,10.96446216,0.861064815,0,0,0,1.552962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.552962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.364027778,0,0.237999221,0,0,0.364027778,0,0,0,0,0,0,0,0,0,0,1.406759259,0,0,2.103498441,0.861064815,0,0,0,1.552962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.273796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.412000779,0,0.359305556,0,0,0.412000779,0,0,0,0,0,0,0,0,0,0,1.447751559,0,0,2.273796296,0.861064815,0,0,0,1.552962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.5,1.708333333,0.412000779,2.273796296,0.090694444,0.861064815,7.387487175,0.472268519,0.273796296,1.92892432,0.472268519,0.273796296,1.92892432,6,0.5,0,0,0.47143,0.7,0.44118,0.44118,0.7,0.03025,0.03025,0,0,0.71429,0,0,0,0.16667,0,12.5,1.04167,6.5,0.54167,6,0.5,-0.5,-0.04167,0,0,9.15972,0.76331,14.15801,4.99829,0.41652,4.01,0.33417,5.96631,1.95631,0.16303,-0.05231,-0.00436,0.11969,0.00997,0.428571429,37,0,0,0,0,0,0,0.5,0.985228136,2.20440245,2.72383005,3.512188404,3.878783493,3.878783493,27.58638781,61.72326859,76.26724139,98.34127531,108.6059378,108.6059378,0.204941834,0.458547889,0.566596412,0.730586458,0.806843588,0.806843588,3.822126786,2.602952472,2.083524872,1.295166518,0.928571429,0.928571429,0.197045627,0.44088049,0.54476601,0.702437681,0.775756699,0.775756699,6.75154531,15.75340334,20.08863077,23.83132808,24.20079179,24.20079179,45.10106829,36.73395349,28.71233518,22.18415871,20.95421243,20.95421243,8.591715976,4.296875,2.25,0,6,0,2.78,1.4532,0,0,0,0,15.69030319,9.490205613,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.137,0.144,0.664,0.857,6.043,16,20,24,28,20,20,16,12,8,189,2.833213344,3.238678452,3.682609841,4.112920948,4.534613593,4.203759348,4.383587915,4.305752857,4.1763085,3.944006051,6.358708442,3.05026455,0.428571429,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.076923077,1,0.076923077,0,4,7,0.75,1,0.888888889,0.375,0.062222222,0.138888889,0.078367347,0,0,0,0,0.076923077,0.055555556,0.026785714,0.006222222,0.017361111,0.019591837,0,0,0,0,0.202439517,33.87359092,51.31509801,67.74718183,5.645598486,33.87359092,4.72E-16,3.93E-17,-42.3478579,66.34663729,5.528886441,5.033871694,0,172.5859807,4.584962501,4.077537444,4.875197323,5.686975356,6.502790046,7.323170718,8.144098463,8.966866554,9.789366553,10.61277871,90.97878117,3.295836866,0,4.510859507,0,5.958424693,0,7.497207223,0,9.076466063,9.311361486,160.1252005,5.718757161,24.59443372,2.049536144,0,0,0,198,14,4.809,58,1.235940011,2.142212722,2.899283876,3.785566711,4.622765038,5.67790004,6.684827013,7.780767975,8.646607714,0,97.42169516,118.258865,102.6339691,113.7734286,138.1998428,121.5169548,73.12372386,31.19997497,8.78550682,0,334.4679497,451.7826291,447.0473261,517.3509032,634.9709371,661.5657837,544.4392607,417.5495618,268.7689444,0,9.060820423,15.48169914,20.57881128,26.68464783,32.61475528,39.86905215,46.2682878,53.11317269,58.09192265,0,2.421595415,3.466914761,3.68752602,4.383693452,5.38889637,5.955776698,5.47536868,4.864370742,3.844393373,0,172.8230712,314.6075179,452.7266993,604.926886,736.3336901,916.9057983,1129.840878,1372.022835,1598.910396,0,2.808964666,4.250309687,4.956506967,6.28225274,8.023409509,9.422515774,9.56781667,9.517459597,8.646607714,0,0.497846256,0.720822887,0.777554257,0.929346534,1.142506666,1.27476714,1.194177137,1.085748683,0.88541263,0,308.912282,189.028277,12.34271671,69.53296838,-42.54831539,-4.102471502,239.3793137,231.5765924,16.44518821,0.81626677,0.499486456,0.032614273,0.18373323,-0.112429249,-0.01084033,116.9063859,71.53685361,4.671042515,26.31442163,-16.10220787,-1.552560855,0.101382624,0.100898677,2.108223834,1.364444746,378.4452504,0,1,0,976.4701304,31.24852205,9.920943759,1132.524269,33.65299792,10.42355444,1713.976389,41.40019793,11.96744972,2.071556004,2.071556004,1003.415517,981.5821229,193.2280513,1.022243064,5.19290812,5.079915241,4.751196507,5.162961838,8.931986558,0.730012121,4.871440103,5.750299219,9.29647663,15.72595028,16.72056254,9.869488208,7.355654746,11.19979769,11.4147921,5.470061002,5.259130128,5.431530753,3.868967101,2.704518268,1.175064716,0.169633562,0.629655247,9.73E-15,2.90E-50,1.67E-107,1.85E-186,3.95E-287,0,0,0,0,0,0,0,0,0.409503745,5.74962478,0.75950113,5.435660502,1.101157037,1.368034814,0.250155507,2.486572795,3.036300811,0.412509045,0.855712387,0.9610338,0.488750006,0.137535338,0.090266646,0.001194743,0.004434713,6.85E-17,2.04E-52,1.17E-109,1.30E-188,2.78E-289,0,0,0,0,0,0,0,0,1.320280081,5.749670746,2.464749103,6.389108423,3.546288543,2.703810806,0.935983442,3.919416479,4.286511883,0.979609387,1.285990766,1.65796128,0.895959217,0.502912857,0.29689273,0.012450144,0.046213133,7.14E-16,2.13E-51,1.22E-108,1.35E-187,2.90E-288,0,0,0,0,0,0,0,0,4.598283557,5.75022549,8.760642732,14.69020858,15.50146173,9.2076871,6.650186608,10.54407911,10.73912787,4.9958499,4.823797498,5.08157932,3.561999685,2.491262544,1.103416875,0.15114045,0.561011489,8.67E-15,2.58E-50,1.48E-107,1.64E-186,3.52E-287,0,0,0,0,0,0,0,0,1.945499483,5.749729529,3.646432643,7.384194395,5.445443016,3.739414375,1.633795306,5.005667583,5.281331345,1.507049488,1.720486487,2.200395139,1.259454404,0.800824224,0.443130771,0.027043376,0.1003811,1.55E-15,4.62E-51,2.65E-108,2.94E-187,6.29E-288,0,0,0,0,0,0,0,0,5.882815846,5.75060904,11.29542322,20.02156556,21.53283825,12.48033013,10.27478928,13.76649228,14.10125054,7.412732435,7.059177298,6.813843177,5.119109173,3.557813362,1.446290965,0.247394608,0.918293002,1.42E-14,4.23E-50,2.43E-107,2.69E-186,5.75E-287,0,0,0,0,0,0,0,0,2.79701325,4.699675778,5.147098792,8.668719215,7.887600423,5.588334674,2.979824227,6.923486434,7.426776741,2.572398213,2.642513946,3.336457823,1.89143568,1.232680174,0.596766054,0.05812548,0.215753374,3.33E-15,9.93E-51,5.71E-108,6.32E-187,1.35E-287,0,0,0,0,0,0,0,0,6.469124269,1.29819008,1.025003402,0.735770072,0.147650496,0.52339977,0.460049511,0.382173627,8.792317752,16.35967659,33.76012969,0.603655109,1.365622908,5.748699463,0.671463937,0.535184165,0.826515053,0.096539236,0.413363813,0.137578776,0.118171709,6.955347565,7.296014161,16.31719635,0.73977258,0.669114298,6.000739885,0.889112733,0.708240981,0.789769145,0.11701787,0.450381887,0.227276699,0.194612217,7.598093599,10.21501021,21.59180616,0.684653718,0.872270803,6.44740763,1.279159778,1.010386805,0.737946826,0.146407975,0.519892796,0.447332962,0.372097928,8.736954212,16.05408627,33.12396772,0.606920239,1.339323686,6.126295876,0.998395507,0.793557957,0.773693226,0.12608791,0.469416161,0.281149744,0.238847565,7.91824934,11.77032182,24.54234164,0.660539839,0.989413469,6.538700783,1.359184803,1.07180347,0.72897742,0.151530872,0.534715126,0.502051246,0.415369657,8.969689055,17.35228391,35.84741488,0.593466129,1.452136029,6.47142359,1.283473593,1.009624053,0.738365898,0.146439669,0.523774007,0.447956581,0.368813278,8.764521236,16.13543201,33.28579097,0.607548847,1.340543866 +UMLKV0153,L,STYRENE,C=CC1=CC=CC=C1,C8H8,Aromatic (single ring) with attached olefin side chain,Aromatics,100-42-5,2.814969429,PubChem,,0.6643,0,1.9153,3.66837409,39.8829,19.414344,6,6,16,8,8,0,8,0,0,0,0,0,0,0,0,0,1162.24148,1250.969672,1468.892385,1209.658639,620.495067,249.249337,41.401584,2.032128,0,3636.805169,4306.028145,5449.048489,4986.906641,3178.102417,1590.079788,499.6285713,62.16748886,0,114.07184,117.265184,174.229956,206.976508,169.696812,118.229284,54.945216,13.436928,0,25.86810324,31.21955448,41.13433324,40.00668639,27.73754208,15.25415772,5.563697454,0.88922581,0,2493.696065,2239.33523,3469.782525,4447.027168,3786.727196,2831.115954,1383.955903,369.835304,0,43.77777778,50,64.66666667,68,53.66666667,32,12,2,0,72.6400925,78.1856045,61.20384937,41.71236686,25.85396112,14.66172571,5.175198,1.016064,0,227.3003231,269.1267591,227.0436871,171.962298,132.4209341,93.53410519,62.45357141,31.08374443,0,7.12949,7.329074,7.2595815,7.137120966,7.0707005,6.954663765,6.868152,6.718464,0,1.616756452,1.951222155,1.713930552,1.37954091,1.15573092,0.897303395,0.695462182,0.444612905,0,155.8560041,139.9584519,144.5742719,153.3457644,157.7802998,166.5362326,172.9944879,184.917652,0,2.736111111,3.125,2.694444444,2.344827586,2.236111111,1.882352941,1.5,1,0,0.060116247,-0.007827441,-0.01828461,-6.73E-04,-0.016138408,0.001887748,0.004369269,0.006607999,0,484.264036,2.84E-13,-121.066009,-90.79950675,-181.5990135,30.26650225,60.5330045,60.5330045,0,900.5096538,0,-225.1274134,-168.8455601,-337.6911202,56.28185336,112.5637067,112.5637067,0,0.094864,1.10E-15,-0.023716,-0.017787,-0.035574,0.005929,0.011858,0.011858,0,4.025697139,2.66E-15,-1.006424285,-0.754818214,-1.509636427,0.251606071,0.503212142,0.503212142,0,21.86765075,3.20E-14,-5.466912688,-4.100184516,-8.200369033,1.366728172,2.733456344,2.733456344,0,5.75,-1.388888889,-1.625,0.744791667,-1.319444444,-0.053819444,0.180555556,0.586805556,0,0.003757265,-4.89E-04,-7.62E-04,-2.32E-05,-6.72E-04,1.11E-04,5.46E-04,0.003304,0,30.26650225,1.78E-14,-5.044417042,-3.131017474,-7.566625562,1.780382485,7.566625562,30.26650225,0,56.28185336,0,-9.380308893,-5.822260692,-14.07046334,3.310697256,14.07046334,56.28185336,0,0.005929,6.85E-17,-9.88E-04,-6.13E-04,-0.00148225,3.49E-04,0.00148225,0.005929,0,0.251606071,1.67E-16,-0.041934345,-0.026028214,-0.062901518,0.014800357,0.062901518,0.251606071,0,1.366728172,2.00E-15,-0.227788029,-0.141385673,-0.341682043,0.080395775,0.341682043,1.366728172,0,0.359375,-0.086805556,-0.067708333,0.025682471,-0.054976852,-0.00316585,0.022569444,0.293402778,0,-0.130205091,-0.202769478,-0.006173602,-0.178968898,0.029554465,0.145360665,0.879362865,0,5.87E-16,-0.166666667,-0.103448276,-0.25,0.058823529,0.25,1,0,0,-0.166666667,-0.103448276,-0.25,0.058823529,0.25,1,0,1.16E-14,-0.166666667,-0.103448276,-0.25,0.058823529,0.25,1,0,6.62E-16,-0.166666667,-0.103448276,-0.25,0.058823529,0.25,1,0,1.46E-15,-0.166666667,-0.103448276,-0.25,0.058823529,0.25,1,0,-0.241545894,-0.188405797,0.071464268,-0.152979066,-0.008809321,0.062801932,0.816425121,0,1.079824717,1.047778526,0.888013533,1.179827091,0.997322345,0.81704671,0.008511861,0,0.9375,1.09375,1.034482759,1.171875,0.882352941,0.703125,0,0,0.9375,1.09375,1.034482759,1.171875,0.882352941,0.703125,0,0,0.9375,1.09375,1.034482759,1.171875,0.882352941,0.703125,0,0,0.9375,1.09375,1.034482759,1.171875,0.882352941,0.703125,0,0,0.9375,1.09375,1.034482759,1.171875,0.882352941,0.703125,0,0,1.25,0.942028986,0.714642679,1.219806763,1.150895141,0.97826087,0,0,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,27.86605434,13.72677795,20.99826265,27.76883211,3.471104014,13.72678277,-0.194444444,0.153109648,0.019138706,-1.501280767,43.2491459,5.406143238,3.013581988,0,11.85,12.15008271,-0.207942191,0.092213119,5.479089237,8.298380197,8,16,12,9,1,4,1,0,0,7,8.745656,3.785864566,3.119114842,2.619181914,2.405784561,1.156381864,0.941428501,0.725052607,0.280174019,1.97015401,1.510684438,1.082250302,0.923353579,0.418558502,0.310513972,0.230006578,0.083923071,3.797092469,3.142658279,2.645815032,2.436280005,1.256520403,1.053336623,0.856879173,0.423280306,1.940232039,1.448493337,1.007167592,0.84110369,0.266782494,0.150156259,0.061529565,0.270913902,3.848106914,3.251531273,2.771820215,2.579349753,1.677747189,1.517793787,1.382064135,0.955137705,1.858666052,1.274269266,0.798620231,0.609505433,0.243738908,0.396843083,0.524357009,0.943918427,3.805443782,3.160295577,2.665925019,2.459251261,1.329712097,1.134811365,0.951373269,0.523078219,1.92179759,1.409589943,0.960278991,0.789465099,0.164816966,0.041902902,0.052901622,0.399277246,3.874117747,3.30755171,2.838078588,2.653730538,1.865625664,1.721464227,1.604206803,1.207644823,1.834898222,1.223139785,0.738564276,0.541794863,0.42484266,0.594311107,0.742016485,1.165965378,3.766653884,3.288458759,2.646350658,2.472789285,1.405901381,1.174708269,1.00012017,0.545084816,1.96120136,1.311557416,0.959453141,0.757374811,0.087295333,0.018394213,0.118420625,0.48,0,0,1,6,1,0,0,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.018518519,0.204124145,0,0,0,0.096225045,0,0,0,0.49279928,0.594861352,0.49279928,0.179152493,0.174792465,0.119434995,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,4.671208396,2.607607028,1.614807748,1.035274752,0.589121682,0.33516754,0.082397958,0.02618914,0.58390105,0.325950878,0.179423083,0.103527475,0.058912168,0.033516754,0.02059949,0.01309457,10.16731122,15.55134741,14.90196078,15.04,11.19421796,119.0837988,0.635456951,0.971959213,0.931372549,0.94,0.699638623,7.442737425,2.14689,35.471,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,5,0,0,0,1,7,0,0,0,0,0,0,0,0,0,1,0,0,1,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.66666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0.45,2.25,0,0,0,0.45,3.15,0,0,0,0,0,0,0,0,0,3.630925926,0,0,1.833333333,10.0287963,0,0,0,0,1.173611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.173611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0.45,0.45,0,0,0,0.45,0.45,0,0,0,0,0,0,0,0,0,3.630925926,0,0,1.833333333,1.993055556,0,0,0,0,1.173611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.630925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0.45,0.45,0,0,0,0.45,0.45,0,0,0,0,0,0,0,0,0,3.630925926,0,0,1.833333333,2.020833333,0,0,0,0,1.173611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.66666667,2.083333333,0.45,3.630925926,0.25,1.173611111,4.901300093,0.493055556,0.630925926,1.345185185,0.493055556,0.630925926,1.345185185,4,0.5,0,0,0.5,0.7,0.43333,0.43333,0.7,0.06667,0.06667,0,0,0.71429,0,0,0.125,0.125,0,11.5,1.4375,4,0.5,7.5,0.9375,3.5,0.4375,0,0,2.74153,0.34269,8.02289,5.28136,0.66017,1.36793,0.17099,3.93185,2.56391,0.32049,-0.01785,-0.00223,0.06815,0.00852,0.375,8,0,0,0,0,0,0,0,1,1.530639062,2.280639062,3.125,3.5,3.125,16,24.490225,36.490225,50,56,50,0.25,0.382659766,0.570159766,0.78125,0.875,0.78125,3,2.469360938,1.719360938,0.875,0.5,0.875,0.231378213,0.354156531,0.527690191,0.723056916,0.809823746,0.723056916,6.503912516,12.87158126,17.41272572,23.75978129,22.76369381,18.26369381,28,26.10300624,23.43383437,17,17.5,22,6.125,3.111111111,1.8,2,8,2,2.34,0.9552,0,2.00414513,0.5,0,7.732315986,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.156,0.16,0.593,0.791,3.812,9,10,10,10,4,2,0,0,0,61,2.564949357,2.970414466,3.457892725,3.852803646,4.251170232,3.595598464,3.446011397,0,0,0,5.526945848,4.104508197,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,1,0.125,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,0,113.1220422,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,104.0626003,6.503912516,15.69266546,1.961583183,0,0,0,64,7,2.937,34,1.223143984,2.191162888,3.004142699,3.877279722,4.62405939,5.562832053,6.325978194,0,0,0,103.703345,141.1981378,128.2664022,106.1071097,71.06657574,28.49988778,6.427598708,0,0,0,348.0386033,514.7401536,528.8885067,527.4954839,448.5479303,345.239961,196.6350895,0,0,0,8.990339138,15.93392046,21.4842862,27.43612349,32.22215453,38.19597962,42.50085676,0,0,0,2.488942949,3.851643538,4.231059399,4.558736803,4.267505549,3.851316768,2.812611541,0,0,0,169.5814233,315.0228985,457.3260991,610.4049996,765.1174798,963.1673967,1169.785034,0,0,0,3.927761855,6.018668497,7.187084409,8.784626209,8.962288575,8.361660245,6.325978194,0,0,0,0.510482241,0.796921869,0.886843263,0.968473156,0.922135537,0.853092297,0.647780167,0,0,0,219.7161834,105.1911401,13.04942476,105.1642905,-50.34836961,-6.949340052,114.5518929,155.5395097,19.99876482,0.676298519,0.323784125,0.040166848,0.323701481,-0.154975056,-0.021390452,71.38149779,34.17454744,4.239503301,34.16582453,-16.35720218,-2.257704889,0.130218973,0.204979273,3.531750969,4.654244287,324.8804739,0,1,0,637.4954083,25.24867142,8.60648244,716.6901953,26.77107012,8.949054529,1018.6297,31.91597876,10.06171731,1.900871391,1.900871391,368.2596053,290.9102002,97.06016757,1.265887566,3.794137333,2.997215104,3.630487172,3.785524729,6.992606262,0.847196033,2.884614086,1.014009041,4.066987988,6.276305684,1.0109625,3.585627192,3.799295941,4.525879818,1.530518317,2.425067599,1.499623542,0.203038918,0.994548179,6.59E-12,8.43E-45,2.08E-99,9.89E-176,9.08E-274,0,0,0,0,0,0,0,0,0,0,0,0,0.242216695,1.014008084,0.309496826,0.987959533,0.373309899,2.069769955,1.213767347,1.194756836,0.122975693,0.131996748,0.079671977,0.00143002,0.007004684,4.64E-14,5.94E-47,1.46E-101,6.97E-178,6.39E-276,0,0,0,0,0,0,0,0,0,0,0,0,0.781586336,1.014008271,1.019085033,1.563948485,0.447943909,2.359024596,1.613947194,1.715180083,0.286210354,0.473229722,0.287620853,0.014901908,0.072994209,4.84E-13,6.19E-46,1.53E-100,7.26E-177,6.66E-275,0,0,0,0,0,0,0,0,0,0,0,0,2.722848411,1.014008979,3.816652323,5.77444406,0.952283143,3.485694094,3.595877568,4.265514437,1.400456013,2.2398186,1.383723913,0.180904021,0.886124522,5.88E-12,7.51E-45,1.85E-99,8.82E-176,8.09E-274,0,0,0,0,0,0,0,0,0,0,0,0,1.151846686,1.014008401,1.523237107,2.108839064,0.515664184,2.563575989,1.92653975,2.119802077,0.435106207,0.74513441,0.454687116,0.032368935,0.158553177,1.05E-12,1.34E-45,3.32E-100,1.58E-176,1.45E-274,0,0,0,0,0,0,0,0,0,0,0,0,3.483559569,1.014009273,5.016922797,8.336707167,1.250528584,3.963733918,4.603709072,5.553974947,2.061918317,3.161906464,1.961642333,0.29611318,1.450455049,9.62E-12,1.23E-44,3.03E-99,1.44E-175,1.32E-273,0,0,0,0,0,0,0,0,0,0,0,0,1.49543903,0.904323087,1.783644588,2.349905471,0.695300632,2.683067569,2.066869428,2.726270099,0.633655627,1.021951342,0.656032338,0.046780167,0.2291439,1.52E-12,1.94E-45,4.79E-100,2.28E-176,2.09E-274,0,0,0,0,0,0,0,0,0,0,0,0,3.938520537,1.568156216,0.260291614,0.68294471,0.271920378,0.515722639,0.44003137,0.218828273,5.766968367,7.609557243,14.9841427,0.524417064,1.174582282,2.714091167,0.838198403,0.096013002,0.743932586,0.229750243,0.244897178,0.124453405,0.026382271,3.648302572,2.616012867,6.482739919,0.615898879,0.395732854,3.107333258,1.072212656,0.149313944,0.717817938,0.24768939,0.320996961,0.204408245,0.067387627,4.328859857,3.955786527,8.782118942,0.576726907,0.592792832,3.89671494,1.543189623,0.254741689,0.68427691,0.27098955,0.504829981,0.426019726,0.209095838,5.694646252,7.399140534,14.62564283,0.526415365,1.139945545,3.316473559,1.196883773,0.177395442,0.707023738,0.255158144,0.365662334,0.255176493,0.097171769,4.690752774,4.770082406,10.16499457,0.560535607,0.718010596,4.074820149,1.649565551,0.278370219,0.678824894,0.27480137,0.552044524,0.487302881,0.252119165,6.002755919,8.315181445,16.18905372,0.518237341,1.291466571,3.909379121,1.53733322,0.254358235,0.685727193,0.269656935,0.508055554,0.422781929,0.208717263,5.701070576,7.39543453,14.62520278,0.528590789,1.139554745 +UMLKV0154,L,2-PROPENYLBENZENE,C=CCC1=CC=CC=C1,C9H10,Aromatic (single ring) with attached olefin side chain,Aromatics,300-57-2,2.928554835,PubChem,,0.733,0,2.2365,5.00193225,44.6375,22.50793,6,6,19,9,10,0,9,0,0,0,0,0,0,0,0,0,1308.537729,1419.447969,1662.600922,1416.490328,939.333869,598.313019,249.249337,41.401584,2.032128,4122.48956,4959.018279,6362.595601,6046.274113,4441.11192,3010.796674,1590.079788,499.6285713,62.16748886,135.049284,139.040964,216.959464,263.542112,239.323892,168.898476,118.229284,54.945216,13.436928,29.54622905,36.2355431,48.82202339,49.25253375,38.21010813,26.39967927,15.25415772,5.563697454,0.88922581,2990.325725,2672.374682,4393.984724,5709.269567,5456.066916,3850.317405,2831.115954,1383.955903,369.835304,48.02777778,55.16666667,73.66666667,79.33333333,67,51.5,32,12,2,68.87040679,74.70778784,55.42003073,38.28352238,27.62746674,24.92970913,14.66172571,5.175198,1.016064,216.9731347,261.0009621,212.08652,163.4128139,130.6209388,125.4498614,93.53410519,62.45357141,31.08374443,7.107857053,7.317945474,7.231982133,7.122759784,7.038938,7.0374365,6.954663765,6.868152,6.718464,1.555064687,1.907133847,1.62740078,1.331149561,1.12382671,1.099986636,0.897303395,0.695462182,0.444612905,157.3855645,140.651299,146.4661575,154.3045829,160.4725563,160.4298919,166.5362326,172.9944879,184.917652,2.527777778,2.903508772,2.455555556,2.144144144,1.970588235,2.145833333,1.882352941,1.5,1,0.068739837,-0.005161092,-0.03060296,-0.004323125,0.005390259,-0.006355469,-0.003657572,0.003770945,0.006569095,573.4705689,3.91E-13,-153.5962109,-148.2304044,-19.45104854,-74.45056509,9.390161363,45.27399229,54.32879074,1066.393011,-2.84E-14,-285.6187129,-275.6407666,-36.17005534,-138.4440049,17.46140603,84.18892192,101.0267063,0.112338947,9.37E-16,-0.030088443,-0.029037319,-0.003810327,-0.014584355,0.001839468,0.008868864,0.010642637,4.767272928,8.22E-15,-1.276848539,-1.232242476,-0.161696977,-0.618909117,0.078060609,0.376363652,0.451636383,25.89590221,5.55E-14,-6.935861527,-6.693560688,-0.878340543,-3.361924146,0.424026469,2.044413332,2.453295999,6.271929825,-0.919590643,-2.224684518,-1.434518313,1.628885811,-0.268928901,-0.314943059,-0.067713143,0.465527855,0.003617886,-2.72E-04,-0.001020099,-1.17E-04,1.59E-04,-2.65E-04,-2.15E-04,4.71E-04,0.003284548,30.18266152,2.06E-14,-5.119873695,-4.006227145,-0.572089663,-3.102106879,0.552362433,5.659249036,27.16439537,56.12594795,-1.50E-15,-9.520623763,-7.449750448,-1.063825157,-5.768500206,1.027141531,10.52361524,50.51335315,0.005912576,4.93E-17,-0.001002948,-7.85E-04,-1.12E-04,-6.08E-04,1.08E-04,0.001108608,0.005321319,0.250909101,4.32E-16,-0.042561618,-0.033303851,-0.004755793,-0.02578788,0.004591801,0.047045457,0.225818191,1.362942221,2.92E-15,-0.231195384,-0.180907046,-0.025833545,-0.140080173,0.024942733,0.255551667,1.226647999,0.33010157,-0.048399508,-0.074156151,-0.038770765,0.047908406,-0.011205371,-0.018526062,-0.008464143,0.232763927,-0.075081523,-0.281959856,-0.03229544,0.043820351,-0.07319501,-0.059468784,0.130288262,0.90786374,6.81E-16,-0.16962963,-0.132732733,-0.018954248,-0.102777778,0.018300654,0.1875,0.9,-2.67E-17,-0.16962963,-0.132732733,-0.018954248,-0.102777778,0.018300654,0.1875,0.9,8.34E-15,-0.16962963,-0.132732733,-0.018954248,-0.102777778,0.018300654,0.1875,0.9,1.72E-15,-0.16962963,-0.132732733,-0.018954248,-0.102777778,0.018300654,0.1875,0.9,2.14E-15,-0.16962963,-0.132732733,-0.018954248,-0.102777778,0.018300654,0.1875,0.9,-0.146620047,-0.224646465,-0.117451017,0.145132319,-0.033945221,-0.056122309,-0.025641026,0.705128205,1.071530675,1.177759696,0.899874365,0.846686059,1.127783519,1.124376095,0.878124806,0.009626125,1,1.14,1.078378378,0.95,1.029166667,0.894117647,0.7125,0,1,1.14,1.078378378,0.95,1.029166667,0.894117647,0.7125,0,1,1.14,1.078378378,0.95,1.029166667,0.894117647,0.7125,0,1,1.14,1.078378378,0.95,1.029166667,0.894117647,0.7125,0,1,1.14,1.078378378,0.95,1.029166667,0.894117647,0.7125,0,1.208391608,1.00979021,0.958797959,0.678794735,1.210751748,1.266145619,1.076223776,0,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,42.42855265,20.93947997,33.716216,42.30951421,4.701057135,20.93947997,-0.285185185,0.297465968,0.033051774,-1.091209907,37.38254931,4.15361659,3.2590836,0,11.85,12.15009716,-0.209893471,0.090224319,5.318792434,8.528380906,9,19,15,12,2,4,1,0,0,7,10.93207,3.785508504,3.262401811,2.659969356,2.619181914,1.925846213,0.959727413,0.941428501,0.744727258,1.981365574,1.643786832,1.141766734,1.082250302,0.778814321,0.356428861,0.310513972,0.232278944,3.797457395,3.286728087,2.686019585,2.645815032,1.988626361,1.079054691,1.053336623,0.872930974,1.949605717,1.585656155,1.060330712,1.007167592,0.667974583,0.196589796,0.150156259,0.064327708,3.851724481,3.39635421,2.812285422,2.771820215,2.260007251,1.560301238,1.517793787,1.389197011,1.862951357,1.418726352,0.839786049,0.798620231,0.312366743,0.352943724,0.396843083,0.518143877,3.806343921,3.304797075,2.705833948,2.665925019,2.034803841,1.16494069,1.134811365,0.965217967,1.930031842,1.548962927,1.009894615,0.960278991,0.594846724,0.088455115,0.041902902,0.049661526,3.87937647,3.451193644,2.88066792,2.838078588,2.386331092,1.766725721,1.721464227,1.60937037,1.837677693,1.368183706,0.778470925,0.738564276,0.192502856,0.554265436,0.594311107,0.73341648,3.770537103,3.428746661,2.71924511,2.674482089,2.051728856,1.24906029,1.195162774,1.027993705,1.968035766,1.495715701,0.942895994,0.933669113,0.554010772,0.00307107,0.036501315,0.13113769,0,0,1,6,1,0,1,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.65464793,0.637136847,0.204124145,0.244531073,0.191638319,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,5.378315178,3.080733574,1.978397839,1.22286449,0.780760001,0.445809975,0.146277398,0.058264155,0.597590575,0.34230373,0.197839784,0.111169499,0.065063333,0.037150831,0.024379566,0.014566039,11.70913902,18.43918427,17.62745098,17.8,12.99277246,142.1120539,0.616270475,0.970483383,0.927760578,0.936842105,0.683830129,7.479581784,2.34129,40.073,37.50463196,54.26687178,75.00926391,8.334362657,37.50463196,0.136437528,0.015159725,-1.792699594,35.3218919,3.924654656,3.208052645,81,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,5,0,0,1,0,7,0,0,0,0,0,0,0,0,0,1,1,0,1,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.19361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.3875,2.153194444,0,0,0.449583333,0,2.962916667,0,0,0,0,0,0,0,0,0,3.655963719,0.973055556,0,1.912037037,10.29922147,0,0,0,0,1.326388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.326388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.3875,0.422222222,0,0,0.449583333,0,0.3875,0,0,0,0,0,0,0,0,0,3.655963719,0.973055556,0,1.912037037,2.02042517,0,0,0,0,1.326388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.655963719,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.3875,0.44,0,0,0.449583333,0,0.44,0,0,0,0,0,0,0,0,0,3.655963719,0.973055556,0,1.912037037,2.098888889,0,0,0,0,1.326388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.16666667,2.018518519,0.449583333,3.655963719,0.1875,0.973055556,5.511724607,0.526944444,0.655963719,1.91037037,0.526944444,0.655963719,1.91037037,4.5,0.5,0,0,0.48947,0.7,0.43333,0.43333,0.7,0.05614,0.05614,0,0,0.71429,0,0,0.11111,0.11111,0,11.5,1.27778,4.5,0.5,7,0.77778,2.5,0.27778,0,0,3.99002,0.44334,9.45555,5.46552,0.60728,1.88478,0.20942,4.43185,2.54706,0.28301,-0.01785,-0.00198,0.06815,0.00757,0.315789474,9,0,0,0,0,0,0,0.111111111,0.998000884,2.268472752,3.070847094,3.576617645,3.826874882,3.826874882,18.96201679,43.10098228,58.34609478,67.95573525,72.71062276,72.71062276,0.234938304,0.534018705,0.722904777,0.841967673,0.900880458,0.900880458,3.24992663,1.979454762,1.17708042,0.671309869,0.421052632,0.421052632,0.220622795,0.501479315,0.678855982,0.790664012,0.84598706,0.84598706,6.618775012,17.68782693,21.30512694,24.5657265,24.817942,24.817942,32.44785067,25.45838126,21.16220865,17.02910309,16.43842401,16.43842401,7.111111111,3.92,2.380165289,3,6,3,2.45,1.0961,0,2.085481947,0.333333333,0,9.563073858,4.445544946,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.156,0.16,0.593,0.791,4.311,10,11,12,12,6,4,2,0,0,75,2.63905733,3.020424886,3.425889994,3.884137802,4.282724121,3.684180933,3.595598464,3.446011397,0,0,5.690148283,3.9325,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.222222222,2,0.222222222,0,3,6,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.04,0,0,0,0,0.111111111,0.044444444,0.0234375,0.030222222,0.030092593,0.04,0,0,0,0,0.27930787,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,0,130.4180268,4.169925001,3.663561646,4.394449155,5.153291594,5.905361848,6.673297968,7.430707083,8.200562797,8.959440144,9.729669736,78.11034197,2.944438979,0,4.077537444,0,5.433722004,0,6.886531643,0,8.379997952,8.639410824,118.0782503,6.214644754,17.70058553,1.966731726,0,0,0,94,8,3.33,38,1.234384407,2.199485521,3.021962295,3.841739795,4.795809984,5.631663304,6.823369844,7.891858252,0,0,101.3289235,130.3824571,121.8330223,117.9230695,130.6964617,89.8042312,35.98668825,8.018633063,0,0,343.462572,487.6086729,512.7423441,535.883529,632.1279577,557.4891006,431.2303933,245.308505,0,0,9.062311056,15.94197313,21.57311859,27.12064441,33.81400411,39.27660755,46.88821296,53.02116556,0,0,2.469633901,3.698910925,4.142314705,4.526655884,5.457429068,5.271603385,4.786070569,3.508822022,0,0,171.802727,319.7942963,462.7398801,610.7971643,764.8818916,929.3463435,1178.472046,1459.343898,0,0,3.682106475,5.523120587,6.620866267,7.876871244,10.62566589,11.07458266,10.3534033,7.891858252,0,0,0.507053598,0.767340061,0.869811027,0.958915976,1.160095518,1.137905306,1.05916583,0.808126285,0,0,249.8685352,135.8724953,13.78947825,109.9759342,-59.80226598,-7.857726972,139.892601,195.6747613,21.64720522,0.694379257,0.377586727,0.038320662,0.305620743,-0.166189204,-0.021836453,89.91381046,48.89296599,4.962067482,39.57423167,-21.51951467,-2.827559593,0.114087926,0.188166619,2.869627232,4.710398785,359.8444694,0,1,0,685.4526174,26.18115004,8.817100947,784.0214766,28.00038351,9.220956781,1114.252481,33.38042062,10.36719347,2.139680182,2.139680182,585.5984553,519.1329616,109.9729061,1.128031735,5.324933898,4.720553273,4.140590823,4.557162436,7.912267499,0.736226788,3.442403505,2.942086905,4.360877271,9.779856507,3.936675562,4.345255588,2.951605387,7.067741441,4.642632662,4.814938657,1.157397363,0.611217223,0.666403773,0.416040123,0.654715896,1.00E-15,4.13E-52,3.30E-110,5.10E-190,1.52E-291,0,0,0,0,0,0,0,0,0,0,0.289017388,2.942043843,0.33122095,3.916771932,1.043520389,1.163021309,0.265384927,1.170937111,0.516843861,1.071927453,0.168419125,0.051597864,0.029924236,0.003644965,0.004611218,7.06E-18,2.91E-54,2.33E-112,3.59E-192,1.07E-293,0,0,0,0,0,0,0,0,0,0,0.932690722,2.942046922,1.091482971,4.493263288,1.333307376,1.751870912,0.775502742,2.068108481,1.130623272,1.535988715,0.369713883,0.165709778,0.113732815,0.032371349,0.048052443,7.36E-17,3.03E-53,2.42E-111,3.74E-191,1.11E-292,0,0,0,0,0,0,0,0,0,0,3.249355466,2.942082249,4.09215315,9.201484899,3.653157039,4.128963501,2.773644045,6.59831655,4.309260827,4.479675762,1.096648777,0.576915866,0.611126597,0.371176415,0.583340076,8.93E-16,3.68E-52,2.94E-110,4.54E-190,1.35E-291,0,0,0,0,0,0,0,0,0,0,1.374552287,2.942050731,1.631870269,5.073183236,1.621541204,2.17412443,1.137024125,2.774992352,1.619774952,1.943618672,0.508067682,0.244079163,0.184955928,0.068556034,0.104376326,1.60E-16,6.58E-53,5.27E-111,8.12E-191,2.42E-292,0,0,0,0,0,0,0,0,0,0,4.157173499,2.942106441,5.380856795,12.17046136,5.107228105,5.170474473,3.625858963,8.928920961,5.968694035,6.176755764,1.382553717,0.738267238,0.88959173,0.60442407,0.954841603,1.46E-15,6.02E-52,4.82E-110,7.43E-190,2.21E-291,0,0,0,0,0,0,0,0,0,0,1.79836366,2.254610588,2.03558746,5.033947587,1.869686818,2.320304126,1.617580705,3.149159246,2.004972061,2.719386709,0.64664148,0.310430196,0.244191593,0.106673987,0.160689467,2.46E-16,1.01E-52,8.11E-111,1.25E-190,3.72E-292,0,0,0,0,0,0,0,0,0,0,5.478788136,1.382040338,0.462242758,0.748154423,0.188724142,0.51782695,0.39368805,0.308351738,7.323071232,10.74327449,21.56640453,0.622231635,1.219866738,4.262891747,0.747061917,0.184194559,0.820710454,0.143827609,0.31303834,0.113768186,0.048736351,5.194148223,4.107450286,9.888192621,0.731065681,0.475542877,4.665117196,0.957031816,0.277141824,0.790792881,0.162228282,0.375028326,0.187436701,0.110887275,5.899290837,6.022798216,13.15943462,0.686189321,0.673352302,5.439005174,1.361260992,0.45325979,0.749842933,0.187668866,0.510303049,0.381820822,0.296548443,7.253525956,10.48619279,21.09561144,0.624764399,1.188672314,4.874432248,1.066355445,0.325073196,0.777934961,0.170184986,0.409536992,0.233170755,0.152700242,6.265860888,7.129068207,15.0846197,0.666902442,0.795407989,5.607678822,1.449359449,0.491307876,0.742901652,0.192010199,0.542586268,0.433395294,0.348068293,7.548346147,11.59472077,23.13619246,0.614352478,1.324049855,5.467914609,1.358011147,0.451826494,0.751319146,0.186597606,0.515668066,0.379893364,0.295099687,7.27775225,10.50962309,21.142408,0.62697872,1.190661116 +UMLKV0155,L,DIPHENYLMETHANE,C1=CC=C(C=C1)CC2=CC=CC=C2,C13H12,Aromatic with multiple rings connected through other saturated carbon species,Aromatics,101-81-5,3.317508077,PubChem,,2.235,0,2.8718,8.24723524,64.0724,30.881516,12,12,25,13,12,0,13,0,0,0,0,0,0,0,0,0,1887.626341,2164.98275,2744.076233,2415.253022,1773.682522,1672.761562,1380.169064,778.898404,249.249337,5878.724656,7306.076021,9984.549867,9849.478304,7715.660954,6673.433045,5702.064264,3778.523424,1590.079788,178.648276,190.978808,305.730404,387.07916,367.959016,284.144104,242.189216,197.791888,118.229284,41.59105486,52.40713172,74.58097634,78.23492116,63.95495854,53.26815244,45.91190082,32.5292122,15.25415772,3867.338453,3612.591558,6015.362851,8154.383728,8207.812234,6243.161244,5249.901924,4436.479404,2831.115954,59.80555556,73.33333333,106.4444444,116.6666667,99.33333333,84.33333333,75.33333333,56,28,75.50505364,83.26856731,65.3351484,44.72690781,34.10927927,41.81903905,40.59320776,27.81780014,14.66172571,235.1489862,281.0029239,237.7273778,182.3977464,148.3780953,166.8358261,167.7077725,134.9472652,93.53410519,7.14593104,7.345338769,7.279295333,7.168132593,7.076134923,7.1036026,7.123212235,7.063996,6.954663765,1.663642194,2.015658912,1.775737532,1.448794836,1.229903049,1.331703811,1.350350024,1.161757579,0.897303395,154.6935381,138.9458291,143.222925,151.0071061,157.842543,156.0790311,154.4088801,158.445693,166.5362326,2.392222222,2.820512821,2.534391534,2.160493827,1.91025641,2.108333333,2.215686275,2,1.647058824,0.080935766,0.002308286,-0.033955761,-0.026584037,0.009023633,0.01838616,-0.01078903,-0.014256814,0.003953284,755.4518962,27.89360847,-218.3062274,-314.5779178,17.04609407,127.8457055,-58.88650678,-110.024789,48.03899237,1404.79506,51.86935606,-405.9497519,-584.9710711,31.69793981,237.7345486,-109.5019739,-204.5957933,89.33055765,0.14798784,0.005464166,-0.042764691,-0.061623654,0.003339213,0.025044096,-0.011535462,-0.021553101,0.009410509,6.280087537,0.231880155,-1.81478427,-2.615092862,0.141704539,1.062784045,-0.489524772,-0.91463839,0.399349156,34.11353518,1.259576683,-9.85793696,-14.20522593,0.769741307,5.773059799,-2.659106332,-4.968330251,2.169270955,5.537777778,0.118488889,-1.7768,-2.830488889,0.541422222,1.728444444,-0.160266667,-1.086755556,0.075422222,0.003237431,8.88E-05,-8.08E-04,-4.92E-04,1.74E-04,4.60E-04,-3.17E-04,-5.09E-04,2.33E-04,30.21807585,1.072831095,-5.19776732,-5.825516996,0.327809501,3.196142638,-1.731956082,-3.929456749,2.825823081,56.19180239,1.994975233,-9.665470284,-10.83279761,0.609575766,5.943363715,-3.220646291,-7.306992619,5.254738685,0.005919514,2.10E-04,-0.001018207,-0.001141179,6.42E-05,6.26E-04,-3.39E-04,-7.70E-04,5.54E-04,0.251203501,0.008918468,-0.043209149,-0.048427646,0.002725087,0.026569601,-0.014397787,-0.032665657,0.023491127,1.364541407,0.048445257,-0.234712785,-0.263059739,0.014802717,0.144326495,-0.07820901,-0.177440366,0.127604174,0.221511111,0.004557265,-0.042304762,-0.052416461,0.010411966,0.043211111,-0.004713725,-0.038812698,0.004436601,0.027423052,-0.249725968,-0.152064103,0.053601582,0.141981109,-0.09801736,-0.157276549,0.071830447,0.035502959,-0.172008547,-0.192782526,0.010848126,0.105769231,-0.057315234,-0.13003663,0.093514329,0.035502959,-0.172008547,-0.192782526,0.010848126,0.105769231,-0.057315234,-0.13003663,0.093514329,0.035502959,-0.172008547,-0.192782526,0.010848126,0.105769231,-0.057315234,-0.13003663,0.093514329,0.035502959,-0.172008547,-0.192782526,0.010848126,0.105769231,-0.057315234,-0.13003663,0.093514329,0.035502959,-0.172008547,-0.192782526,0.010848126,0.105769231,-0.057315234,-0.13003663,0.093514329,0.020573528,-0.190982573,-0.236631294,0.04700426,0.195074238,-0.02127986,-0.17521784,0.020028798,0.891899821,1.142351361,1.057208439,0.830625721,0.787001996,1.142406373,1.273202254,1.062102091,0.887573964,1.098901099,1.13960114,0.961538462,0.865384615,1.018099548,1.098901099,0.904977376,0.887573964,1.098901099,1.13960114,0.961538462,0.865384615,1.018099548,1.098901099,0.904977376,0.887573964,1.098901099,1.13960114,0.961538462,0.865384615,1.018099548,1.098901099,0.904977376,0.887573964,1.098901099,1.13960114,0.961538462,0.865384615,1.018099548,1.098901099,0.904977376,0.887573964,1.098901099,1.13960114,0.961538462,0.865384615,1.018099548,1.098901099,0.904977376,0.916779849,1.083467095,1.141430355,0.858902334,0.785513644,1.07638561,1.238248108,1.019733736,64.07283282,32.03641641,50.93687849,64.07283282,4.928679448,32.03641641,4.26E-14,7.49E-16,5.76E-17,-45.27543548,2000044.952,153849.6117,18.86128428,64.07283282,32.03641641,50.93687849,64.07283282,4.928679448,32.03641641,4.26E-14,7.49E-16,5.76E-17,-45.27543548,2000044.952,153849.6117,18.86128428,64.07283282,32.03641641,50.93687849,64.07283282,4.928679448,32.03641641,4.26E-14,7.49E-16,5.76E-17,-45.27543548,2000044.952,153849.6117,18.86128428,64.07283282,32.03641641,50.93687849,64.07283282,4.928679448,32.03641641,4.26E-14,7.49E-16,5.76E-17,-45.27543548,2000044.952,153849.6117,18.86128428,64.07283282,32.03641641,50.93687849,64.07283282,4.928679448,32.03641641,4.26E-14,7.49E-16,5.76E-17,-45.27543548,2000044.952,153849.6117,18.86128428,64.07283282,32.03641641,50.93687849,64.07283282,4.928679448,32.03641641,4.26E-14,7.49E-16,5.76E-17,-45.27543548,2000044.952,153849.6117,18.86128428,76.26759927,37.8637755,62.35106248,76.20454865,5.861888357,37.8637755,-0.117094017,0.004427427,3.41E-04,-7.045917706,244.7447146,18.82651651,7.150280392,0,11.85,12.15015697,-0.20988415,0.090303206,6.596824219,9.079993031,14,26,20,14,2,6,0,0,0,12,13.118484,3.843525291,3.685571875,2.962419617,2.619181914,2.619181914,2.504002052,1.837312481,0.941428501,2.023761737,1.887024474,1.351998901,1.082250302,1.082250302,0.918665126,0.713889694,0.310513972,3.854603472,3.697839778,2.984626541,2.645815032,2.645815032,2.524959487,1.89882987,1.053336623,1.994693233,1.85438747,1.287572817,1.007167592,1.007167592,0.844854126,0.596209254,0.150156259,3.904757861,3.753641659,3.089475183,2.771820215,2.771820215,2.62904968,2.171125304,1.517793787,1.915104702,1.765197588,1.111814708,0.798620231,0.798620231,0.652258884,0.22473876,0.396843083,3.862833797,3.706968874,3.001371124,2.665925019,2.665925019,2.541019993,1.944451978,1.134811365,1.976753329,1.834252271,1.247679554,0.960278991,0.960278991,0.799840051,0.518939223,0.041902902,3.930226228,3.782107253,3.144779105,2.838078588,2.838078588,2.687104756,2.301003751,1.721464227,1.891798828,1.739187207,1.061792832,0.738564276,0.738564276,0.600771853,0.102490207,0.594311107,3.859935902,3.740025958,2.969976343,2.725794533,2.725794533,2.553378329,1.952401492,1.232550919,1.984393509,1.795062866,1.257472569,0.886825992,0.886825992,0.763102097,0.463388928,0.069420137,0,0,0,10,2,0,1,0,0,0,0,0,0.204124145,0.144337567,0,0,0,0.06415003,0.045360921,0.40824829,0,0,0,0.23570226,0,0,0,0.81305253,1.279039102,1.579084876,0.390016657,0.507867787,0.51535522,8.932875131,6.449489743,5.24377395,4.116156409,3.317088374,2.632993162,1.231484176,0.833333333,0.687144241,0.460677839,0.308457291,0.20580782,0.138212016,0.09403547,0.061574209,0.041666667,7.480609473,4.528473986,3.147973815,2.093897615,1.427425663,0.95028331,0.404991523,0.226804606,0.575431498,0.323462428,0.18517493,0.104694881,0.059476069,0.03393869,0.020249576,0.01134023,16.25096682,24.32702112,23.35294118,23.56,17.79132695,185.3683928,0.650038673,0.973080845,0.934117647,0.9424,0.711653078,7.414735713,3.0898,54.669,79.59091319,115.9883525,159.1818264,12.24475588,79.59091319,5.55E-16,4.27E-17,-45.66557145,2000049.405,153849.9543,18.86128717,174,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,1,0,0,10,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.80388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.306388889,0,0,0,0,4.306388889,0,0,0,0,0,0,0,0,0,0,1.029444444,0,0,21.06555556,0,0,0,0,2.738333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.369166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,0,0,0,0.422222222,0,0,0,0,0,0,0,0,0,0,1.029444444,0,0,2.050092593,0,0,0,0,1.369166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.159722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.44,0,0,0,0,0.44,0,0,0,0,0,0,0,0,0,0,1.029444444,0,0,2.159722222,0,0,0,0,1.369166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,24.83333333,1.91025641,0.518611111,2.159722222,0.1875,1.029444444,7.34246,0.470555556,0.159722222,2.131111111,0.470555556,0.159722222,2.131111111,6.5,0.5,0,0,0.508,0.7,0.44054,0.44054,0.7,0.06746,0.06746,0,0,0.71429,0,0,0,0.15385,0,19,1.46154,7,0.53846,12,0.92308,5,0.38462,0,0,6.15695,0.47361,15.71889,9.56194,0.73553,2.48511,0.19116,6.44948,3.96436,0.30495,-0.03548,-0.00273,0.13652,0.0105,0.52,40,0,0,0,0,0,0,0.076923077,0.998845536,1.826313714,2.214693952,2.98346519,3.36385619,3.36385619,24.9711384,45.65784285,55.36734879,74.58662974,84.09640474,84.09640474,0.215089679,0.393275252,0.476908384,0.642454259,0.724367003,0.724367003,3.645010654,2.817542476,2.429162238,1.660391,1.28,1.28,0.199769107,0.365262743,0.44293879,0.596693038,0.672771238,0.672771238,6.399164975,12.89910622,17.55966907,22.5157804,22.89914797,22.89914797,44.36419974,42.20963107,38.42460604,30.49923289,29.28347695,29.28347695,9.551020408,5.024221453,3,0,6,0,2.89,1.4651,0,0,0,0,17.65505994,9.650677328,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.181,0.184,0.979,1.288,6.567,17,20,24,28,20,20,20,16,12,204,3.044522438,3.555348061,4.034240638,4.535284059,5.029620594,4.721841493,5.029620594,5.432902891,5.614495784,5.731873777,7.272127088,7.05200674,0.5,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.142857143,2,0.142857143,0,4,8,1,1.5,0.444444444,0.375,0.302222222,0.013888889,0.078367347,0.048611111,0,0,0,0.107142857,0.026143791,0.026785714,0.030222222,0.001388889,0.009795918,0.012152778,0,0,0,0.21363217,41.71068999,64.46310845,83.42137999,6.41702923,41.71068999,5.55E-16,4.27E-17,-45.66557145,2000047.605,153849.8158,18.861286,0,171.0725892,4.700439718,4.143134726,4.919980926,5.720311777,6.51174533,7.319202459,8.115221973,8.924922401,9.722505099,10.53297582,92.91000051,3.36729583,0,4.574710979,0,5.993961427,0,7.496097345,0,9.032289682,9.278559611,168.0939004,6.723756015,26.5915089,2.045500685,0,0,0,264,14,4.018,62,1.24955473,2.227442091,3.063832702,3.916733001,4.749981733,5.261734498,6.045787736,6.956392851,7.912604357,8.742306208,112.9878191,154.1183032,141.1621,140.9377553,204.9676242,229.2868833,177.6427217,103.1919977,37.10659346,8.882742615,372.0146303,550.1531653,573.7889767,602.5650886,802.9291512,926.9014638,847.2741747,660.6837184,465.1872382,271.7436119,9.207006951,16.24523886,22.00861963,27.76562874,33.73500199,37.57976929,42.79629786,48.42869762,54.20666993,58.73486953,2.631998267,4.069379727,4.539778794,4.949206495,6.366231355,7.375482275,7.228822436,6.323278694,5.271152806,3.886942158,171.8395622,317.0211146,459.1167171,614.583813,742.3270154,805.337863,951.2768339,1154.552146,1379.852971,1616.606737,3.62032211,5.746694908,6.715123532,7.607837234,10.01058722,11.99351396,12.36885742,11.57981853,10.53336156,8.742306208,0.538697228,0.840085364,0.949271661,1.043161778,1.334049702,1.544956628,1.532742282,1.36780588,1.170866877,0.895212156,265.9733863,183.7928837,15.30766636,172.7788911,-119.3936396,-9.338118918,93.19449522,303.1865233,24.64578528,0.606204002,0.418898985,0.034889087,0.393795998,-0.272120843,-0.021283351,116.696429,80.6395463,6.716273478,75.80713197,-52.3842313,-4.097120943,0.089778173,0.089348334,0,1.562295838,438.7522775,0,1,0,1074.465145,32.77903515,10.24229886,1192.832701,34.53741017,10.60538679,1941.538076,44.06288774,12.47523219,1.779035516,1.76159419,1240.15156,1037.553157,205.965119,1.195265566,6.021172742,5.037518787,4.900311871,5.135181678,9.297929097,0.81063294,4.16360046,4.008393714,5.592975542,12.44847429,0.25990022,8.348659877,6.414407394,9.162610615,5.868311929,2.599002317,7.593068232,4.022347847,2.736159967,1.739800258,1.648543956,0.007447813,0.126967196,0.018729114,3.93E-22,1.76E-63,1.52E-126,2.54E-211,8.193516E-318,0,0,0,0,0,0,0,0.349613543,3.276345531,0.467352326,5.815955529,0.032526631,2.147392854,2.507830158,1.906883487,3.223628551,1.291702945,1.764813511,0.369536701,0.988971431,0.058849906,0.051891556,4.08E-04,8.94E-04,1.32E-04,2.76E-24,1.24E-65,1.07E-128,1.79E-213,5.7707E-320,0,0,0,0,0,0,0,1.128129584,3.42576647,1.508720756,6.415311906,0.078561939,2.98797509,3.298292762,3.027290796,3.452682418,1.535012272,2.927799402,0.999133447,1.321096406,0.247277246,0.224482775,0.001460829,0.009318674,0.001374611,2.88E-23,1.29E-64,1.12E-127,1.87E-212,6.01357E-319,0,0,0,0,0,0,0,3.930110914,3.963576231,5.277461987,11.77552547,0.245847382,7.818590972,6.17278976,8.59083726,5.596461792,2.5106433,7.226826332,3.757681374,2.620526288,1.58216932,1.496558653,0.006880879,0.113125486,0.016687303,3.50E-22,1.57E-63,1.36E-126,2.27E-211,7.300274E-318,0,0,0,0,0,0,0,1.66255644,3.528340953,2.225036671,7.050772624,0.110275522,3.691267608,3.842985077,3.903497152,3.702198443,1.70902552,3.734076131,1.46578058,1.556368341,0.422557508,0.388484992,0.002297494,0.020241405,0.002985839,6.26E-23,2.81E-64,2.43E-127,4.06E-212,1.30623E-318,0,0,0,0,0,0,0,5.028107155,4.174334969,6.763140617,15.24315801,0.312082778,10.48207044,7.311801628,11.42449084,6.999684366,2.93561077,8.959815919,5.048891039,3.17414589,2.385572073,2.272861873,0.00970131,0.185169723,0.027314653,5.72E-22,2.57E-63,2.22E-126,3.71E-211,1.194947E-317,0,0,0,0,0,0,0,2.205679103,3.193228231,2.955753419,7.045082178,0.14509857,4.687501074,4.396353052,4.884157207,4.020975299,2.004884824,4.59785245,2.029641127,1.912951286,0.642656083,0.595352019,0.003309389,0.034794307,0.005132558,1.08E-22,4.82E-64,4.18E-127,6.97E-212,2.245365E-318,0,0,0,0,0,0,0,7.206554172,2.23924143,0.06627986,0.757621636,0.235410394,0.522702475,0.554791259,0.080446649,9.512075462,16.76328068,27.34492847,0.636432454,1.157940383,6.162337668,1.215252867,0.01000781,0.834146279,0.164499044,0.38219896,0.163396473,0.001834083,7.387598346,7.562632046,15.02517687,0.751219418,0.547429516,6.490229687,1.536805903,0.027678559,0.805767848,0.190795834,0.423953378,0.261310447,0.014029082,8.054714149,10.19640007,18.52718634,0.708651772,0.699292907,7.169745535,2.203147827,0.064296403,0.759733111,0.233453802,0.517376364,0.537050295,0.075703861,9.437189765,16.39865262,26.85146896,0.639599666,1.13013052,6.667443283,1.710588628,0.037228593,0.792303848,0.203272213,0.447421276,0.323752836,0.025380269,8.415260503,11.71715499,20.557017,0.688455773,0.796554382,7.327151949,2.357495493,0.072778288,0.750930845,0.241610396,0.540343805,0.614935414,0.096994886,9.75742573,17.97855976,28.99313782,0.626396268,1.252274105,7.183387795,2.200343402,0.064169857,0.760315731,0.232892299,0.519347048,0.535683877,0.075405986,9.447901054,16.40807263,26.87023731,0.640473596,1.130436911 +UMLKV0156,L,"1,1-DIPHENYLETHANE",CC(C1=CC=CC=C1)C2=CC=CC=C2,C14H14,Aromatic with multiple rings connected through other saturated carbon species,Aromatics,612-00-0,3.381179657,PubChem,,2.8955,0,2.8208,7.95691264,68.7768,33.975102,12,12,28,14,14,0,14,0,0,0,0,0,0,0,0,0,2033.92259,2333.461047,3058.850779,3019.571874,2491.959806,2138.917548,1487.186408,784.994788,249.249337,6364.409047,7959.066155,11123.22439,11866.27038,10662.23298,9375.449433,6930.794639,3965.025891,1590.079788,199.62572,212.754588,348.483628,451.63188,456.658808,452.619696,366.314912,238.102672,118.229284,45.26918067,57.42312034,83.27509077,92.95144849,86.69463864,77.99247602,59.26638435,35.19688963,15.25415772,4363.968114,4045.631009,6945.031962,9522.559204,9812.789623,10119.80684,8324.058826,5545.985316,2831.115954,65.33333333,79.77777778,116.4444444,135.6666667,134,128,101.3333333,62,28,72.6400925,80.46417403,63.7260579,47.92971229,38.93687197,33.42058669,28.59973862,23.088082,14.66172571,227.3003231,274.4505571,231.7338415,188.353498,166.5973903,146.4913974,133.2845123,116.6184086,93.53410519,7.12949,7.336365103,7.260075583,7.16876,7.135293875,7.07218275,7.044517538,7.003019765,6.954663765,1.616756452,1.980107598,1.734897724,1.475419817,1.354603729,1.218632438,1.139738161,1.035202636,0.897303395,155.8560041,139.5045176,144.6881659,151.1517334,153.3248379,158.1219819,160.0780543,163.1172152,166.5362326,2.333333333,2.750957854,2.425925926,2.153439153,2.09375,2,1.948717949,1.823529412,1.647058824,0.08398631,-0.002932734,-0.030154905,-0.009486676,-0.006389727,0.009206745,-0.012295897,-0.005344079,0.003957666,847.462063,30.26650225,-121.066009,-151.3325113,-363.198027,1.78E-13,4.05E-13,60.5330045,30.26650225,1575.891894,56.28185336,-225.1274134,-281.4092668,-675.3822403,-1.14E-13,-1.14E-13,112.5637067,56.28185336,0.166012,0.005929,-0.023716,-0.029645,-0.071148,-5.26E-16,-6.64E-16,0.011858,0.005929,7.044969994,0.251606071,-1.006424285,-1.258030356,-3.019272855,-9.77E-15,-9.77E-15,0.503212142,0.251606071,38.26838882,1.366728172,-5.466912688,-6.833640861,-16.40073807,6.00E-14,8.13E-14,2.733456344,1.366728172,6.26984127,-0.414399093,-1.129251701,-0.615079365,-2.108843537,0.605442177,-0.056689342,0.100907029,-0.04478458,0.002999511,-1.01E-04,-6.28E-04,-1.51E-04,-9.98E-05,1.44E-04,-2.36E-04,-1.57E-04,2.33E-04,30.26650225,1.043672491,-2.522208521,-2.402103353,-5.674969172,2.78E-15,7.79E-15,1.780382485,1.780382485,56.28185336,1.940753564,-4.690154447,-4.466813759,-10.5528475,-1.78E-15,-2.19E-15,3.310697256,3.310697256,0.005929,2.04E-04,-4.94E-04,-4.71E-04,-0.001111687,-8.21E-18,-1.28E-17,3.49E-04,3.49E-04,0.251606071,0.008676071,-0.020967173,-0.019968736,-0.047176138,-1.53E-16,-1.88E-16,0.014800357,0.014800357,1.366728172,0.047128558,-0.113894014,-0.10847049,-0.256261532,9.37E-16,1.56E-15,0.080395775,0.080395775,0.223922902,-0.014289624,-0.023526077,-0.009763165,-0.03295068,0.009460034,-0.00109018,0.002967854,-0.002634387,-0.033715078,-0.209443193,-0.050202236,-0.033285254,0.047959613,-0.078832702,-0.052401471,0.07761395,0.034482759,-0.083333333,-0.079365079,-0.1875,9.17E-17,2.57E-16,0.058823529,0.058823529,0.034482759,-0.083333333,-0.079365079,-0.1875,-3.16E-17,-3.88E-17,0.058823529,0.058823529,0.034482759,-0.083333333,-0.079365079,-0.1875,-1.39E-15,-2.15E-15,0.058823529,0.058823529,0.034482759,-0.083333333,-0.079365079,-0.1875,-6.07E-16,-7.47E-16,0.058823529,0.058823529,0.034482759,-0.083333333,-0.079365079,-0.1875,6.85E-16,1.14E-15,0.058823529,0.058823529,-0.063814928,-0.105063291,-0.043600563,-0.147151899,0.042246835,-0.004868549,0.013253909,-0.011764706,0.985025498,1.082633338,0.95719017,0.959508669,0.867698418,1.072199279,1.176249331,1.151382919,0.931034483,1.044642857,1.040816327,1.145089286,0.964285714,0.964285714,0.907563025,0.907563025,0.931034483,1.044642857,1.040816327,1.145089286,0.964285714,0.964285714,0.907563025,0.907563025,0.931034483,1.044642857,1.040816327,1.145089286,0.964285714,0.964285714,0.907563025,0.907563025,0.931034483,1.044642857,1.040816327,1.145089286,0.964285714,0.964285714,0.907563025,0.907563025,0.931034483,1.044642857,1.040816327,1.145089286,0.964285714,0.964285714,0.907563025,0.907563025,1.055958097,1.006803797,0.934177215,1.09153481,0.949485759,1.030574489,1.013253909,1.013253909,70.40808689,35.20404345,54.10450552,70.40808689,5.029149064,35.20404345,-1.42E-14,9.99E-16,7.14E-17,-48.35540639,3000044.952,214288.9251,20.87979296,70.40808689,35.20404345,54.10450552,70.40808689,5.029149064,35.20404345,-1.42E-14,9.99E-16,7.14E-17,-48.35540639,3000044.952,214288.9251,20.87979296,70.40808689,35.20404345,54.10450552,70.40808689,5.029149064,35.20404345,-1.42E-14,9.99E-16,7.14E-17,-48.35540639,3000044.952,214288.9251,20.87979296,70.40808689,35.20404345,54.10450552,70.40808689,5.029149064,35.20404345,-1.42E-14,9.99E-16,7.14E-17,-48.35540639,3000044.952,214288.9251,20.87979296,70.40808689,35.20404345,54.10450552,70.40808689,5.029149064,35.20404345,-1.42E-14,9.99E-16,7.14E-17,-48.35540639,3000044.952,214288.9251,20.87979296,70.40808689,35.20404345,54.10450552,70.40808689,5.029149064,35.20404345,-1.42E-14,9.99E-16,7.14E-17,-48.35540639,3000044.952,214288.9251,20.87979296,89.91241399,44.42934547,70.81299758,89.85799222,6.418428016,44.42934547,-0.19047619,1.67E-16,1.19E-17,-50.86386965,3000043.05,214288.7893,20.87979208,0,11.85,12.15017245,-0.209751728,0.090457978,6.675417969,10.18188333,15,29,23,17,3,6,0,0,0,12,15.304898,3.864470897,3.685571875,3.104810502,2.619181914,2.619181914,2.504002052,2.420034941,1.443919602,2.037178836,1.887024474,1.543670443,1.082250302,1.082250302,1.048944903,0.918665126,0.515949081,3.874917207,3.697839778,3.129616113,2.645815032,2.645815032,2.524959487,2.466267416,1.523245408,2.008866294,1.85438747,1.471926402,1.007167592,1.007167592,0.965356803,0.844854126,0.378267076,3.922451945,3.753641659,3.247846074,2.771820215,2.771820215,2.664737208,2.62904968,1.866052803,1.932311892,1.765197588,1.273186819,0.798620231,0.798620231,0.702985404,0.652258884,0.067922365,3.882689909,3.706968874,3.148384856,2.665925019,2.665925019,2.541019993,2.500156069,1.581609557,1.991492434,1.834252271,1.427104627,0.960278991,0.960278991,0.910809014,0.799840051,0.286957158,3.946757632,3.782107253,3.310607579,2.838078588,2.838078588,2.757101668,2.687104756,2.025241886,1.910129662,1.739187207,1.216493762,0.738564276,0.738564276,0.615454503,0.600771853,0.219143725,3.871431703,3.742873965,3.124890411,2.728556664,2.728556664,2.556051386,2.548202796,1.581525675,2.012451344,1.792310968,1.412212845,0.884311307,0.884311307,0.858127723,0.760637157,0.240674211,0,0,0,10,2,1,0,1,0,0,0,0,0.204124145,0.11785113,0,0,0,0.06415003,0.037037037,0.525783423,0,0.19245009,0,0.336787657,0,0.096225045,0,1.541518998,2.285535934,2.98347837,0.84423069,1.021794714,1.104641391,9.803118619,6.877010098,5.655296949,4.786799924,3.70480061,2.845979306,1.338835953,0.916116078,0.700222759,0.45846734,0.297647208,0.199449997,0.132314307,0.088936853,0.055784831,0.038171503,8.350852961,4.976067743,3.543055042,2.599144983,1.675878197,1.068755795,0.458974254,0.259259259,0.596489497,0.33173785,0.186476581,0.108297708,0.059852793,0.033398619,0.019123927,0.010802469,17.79279463,27.21485798,26.07843137,26.32,19.58988144,208.3966479,0.635456951,0.971959213,0.931372549,0.94,0.699638623,7.442737425,3.8217,59.474,84.11148628,120.5089256,168.2229726,12.01592661,84.11148628,1.67E-16,1.19E-17,-50.86386965,3000049.405,214289.2432,20.87979504,183,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,2,0,0,10,0,0,0,0,0,0,0,0,1,0,0,0,0,10,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.94222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.19,0,0.890555556,0,0,4.19,0,0,0,0,0,0,0,0,2.240740741,0,0,0,0,21.19462963,0.483703704,0,0,0,2.747592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.373796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0.371944444,0,0,0.406597222,0,0,0,0,0,0,0,0,2.240740741,0,0,0,0,2.056759259,0.483703704,0,0,0,1.373796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.178240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.433055556,0,0.518611111,0,0,0.433055556,0,0,0,0,0,0,0,0,2.240740741,0,0,0,0,2.178240741,0.483703704,0,0,0,1.373796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26.66666667,1.904761905,0.518611111,2.240740741,0.159722222,0.483703704,8.060286852,0.84962963,0.240740741,2.870740741,0.84962963,0.240740741,2.870740741,7,0.5,0,0,0.5,0.7,0.44,0.44,0.7,0.06,0.06,0,0,0.71429,0,0,0.07143,0.21429,0,19.5,1.39286,7.5,0.53571,12,0.85714,4.5,0.32143,0,0,7.92699,0.56621,18.30478,10.37779,0.74127,2.96437,0.21174,6.87699,3.91262,0.27947,0.03701,0.00264,0.20901,0.01493,0.464285714,43,0,0,0,0,0,0,0.142857143,1,2.077406283,2.540071227,3.226474118,3.56610894,3.56610894,28,58.16737592,71.12199436,90.34127531,99.85105032,99.85105032,0.208014598,0.432130832,0.528371894,0.671153716,0.741802716,0.741802716,3.807354922,2.729948639,2.267283695,1.580880804,1.241245982,1.241245982,0.194959022,0.405009097,0.495209802,0.629030238,0.695245111,0.695245111,6.503912516,14.68900176,18.96702236,23.39212176,23.73441424,23.73441424,49,44.06361553,38.60568508,30.40832488,29.18268674,29.18268674,10.51555556,5.185595568,2.75,2,6,2,3,1.606,0,2.68246152,1.889881575,0,13.99526164,11.77053417,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.199,0.204,0.94,1.273,6.838,19,24,28,32,24,24,20,16,12,228,3.091042453,3.610917913,4.135166557,4.627420795,5.114244277,4.887525597,5.210851341,5.432902891,5.614495784,5.731873777,7.328262929,6.674273575,0.5,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.133333333,3,0.2,0,4,8,1,1.5,1.333333333,0.875,0.382222222,0.138888889,0.078367347,0.048611111,0,0,0,0.1,0.070175439,0.048611111,0.027301587,0.011574074,0.009795918,0.012152778,0,0,0,0.279610907,45.12535533,67.87777379,90.25071066,6.446479333,45.12535533,7.22E-16,5.15E-17,-48.81099775,3000047.605,214289.1146,20.8797942,0,188.3685739,4.807354922,4.234106505,5.043425117,5.866468057,6.693323668,7.524561226,8.35678967,9.191055611,10.02530688,10.86078586,96.79582259,3.433987204,0,4.672828834,0,6.137727054,0,7.690286021,0,9.282754052,9.514068023,182.1095504,6.503912516,28.405439,2.028959929,0,0,0,307,18,4.443,68,1.246934975,2.211503155,3.036660496,3.860330232,4.509890623,5.256671199,5.981963158,6.827409822,7.76986845,8.59148721,109.4254939,150.1693686,150.7413817,159.6001782,160.8044758,157.8341943,144.432939,101.206052,36.43769631,8.72950086,363.4649074,535.4475933,589.4193085,664.7783493,690.6718616,721.3499498,717.9813364,648.1602388,456.7992505,267.0555927,9.177063051,16.0939413,21.81919424,27.57400135,31.96770046,37.07488701,41.94734108,47.52986404,53.22884976,57.72159753,2.584323516,3.966490144,4.594845818,5.346536028,5.682784095,6.115574286,6.323968625,6.204165522,5.176094581,3.819886085,172.1417828,317.4301818,455.2378792,590.0595307,707.7958296,838.3419315,971.629519,1133.212435,1354.960377,1588.717642,3.517588577,5.482591118,6.652752737,8.173239137,9.227848991,10.39462717,11.08473534,11.36251644,10.34339211,8.59148721,0.52945282,0.819243303,0.958501511,1.121792572,1.198118443,1.296460064,1.349859239,1.342068833,1.149751385,0.87976829,279.1802492,205.5411214,14.49151225,122.618292,-90.27537346,-7.282345631,156.5619571,295.8164949,21.77385788,0.694826438,0.511552682,0.036066612,0.305173562,-0.224678201,-0.018124371,112.1742168,82.58612275,5.822668482,49.26785087,-36.27251336,-2.926035851,0.084276956,0.083861257,1.372182856,1.073390639,401.7985412,0,1,0,1142.506931,33.80099009,10.45409112,1280.248559,35.78056119,10.85837323,2173.342856,46.61912544,12.95317048,2.08631902,2.08631902,1280.546604,1017.128905,310.6002305,1.258981627,4.122812792,3.274720381,5.05183391,4.949154245,9.15213733,0.849232591,4.721612435,5.265108772,6.322685558,15.8526659,5.956441251,11.05574407,11.94615211,10.39619354,9.3674161,7.56719253,10.37977812,5.659710033,5.595120189,0.992478665,3.680356665,0.433012434,1.15987048,6.08E-06,6.05E-32,1.26E-79,5.08E-149,3.95E-240,0,0,0,0,0,0,0,0,0.396433083,4.70369005,0.497016128,7.21711228,1.561875126,3.201762536,3.494329209,3.300934551,1.7815815,1.604817836,4.008309165,0.203527376,2.761875979,0.009607342,0.294908398,0.003049813,0.008169063,4.28E-08,4.26E-34,8.87E-82,3.58E-151,2.78E-242,0,0,0,0,0,0,0,0,1.279269878,4.818279352,1.611550676,8.075342599,2.072038444,4.749003145,4.761656361,4.524610333,2.725917414,2.777865136,5.068084178,0.834492207,3.336269517,0.079566492,0.961197869,0.031780844,0.085127931,4.46E-07,4.44E-33,9.25E-81,3.73E-150,2.90E-241,0,0,0,0,0,0,0,0,4.456819379,5.230736209,5.939648134,15.00403187,5.550550343,10.55514472,11.2667583,9.88236452,8.689308064,7.186614309,9.904542207,5.154902521,5.420279995,0.886082741,3.464345264,0.385806332,1.033423716,5.42E-06,5.39E-32,1.12E-79,4.53E-149,3.52E-240,0,0,0,0,0,0,0,0,1.885316941,4.896943759,2.398796594,8.933046756,2.537116701,5.827740448,5.767587827,5.431319083,3.553542622,3.596189988,5.867078365,1.410970737,3.731740168,0.166388649,1.42593429,0.069032067,0.184909241,9.69E-07,9.64E-33,2.01E-80,8.10E-150,6.30E-241,0,0,0,0,0,0,0,0,5.702031783,5.392378205,7.770869267,19.35807948,7.614665387,12.93170162,14.6455569,12.38889467,12.12079509,8.993976313,12.23607734,7.722697349,6.244054126,1.438900178,4.490092211,0.63150771,1.691562088,8.86E-06,8.82E-32,1.84E-79,7.41E-149,5.77E-240,0,0,0,0,0,0,0,0,2.551598615,4.023129387,3.177566643,8.784296438,3.264687361,7.262911481,6.90652805,6.298863673,4.663344206,4.676710346,7.075424109,2.144387004,4.457097999,0.282935054,1.978753768,0.119349305,0.319689301,1.68E-06,1.67E-32,3.47E-80,1.40E-149,1.09E-240,0,0,0,0,0,0,0,0,6.248271527,2.735414773,0.308731299,0.672405374,0.294370625,0.470372338,0.521801172,0.24597855,9.292417598,19.86515938,34.43429324,0.50860806,1.238152059,5.455615466,1.589248689,0.133147404,0.760045511,0.221405145,0.358890282,0.176129492,0.045558617,7.178011558,9.608335096,17.94077855,0.640068267,0.580578392,5.710040434,1.957434371,0.18972572,0.726727085,0.249126182,0.39300791,0.267203289,0.092651501,7.857200525,12.63174659,22.60951707,0.590090627,0.752862699,6.221186307,2.69629198,0.302762605,0.674731428,0.292431837,0.466310543,0.506984067,0.236534179,9.220240893,19.47401371,33.77283534,0.512097142,1.209828788,5.845410808,2.153215446,0.219739573,0.711261938,0.262000438,0.411802064,0.323329837,0.124378569,8.218365827,14.34404356,25.32814589,0.566892907,0.859510469,6.336588053,2.862963196,0.328179831,0.665067895,0.300487406,0.48374086,0.571588373,0.278037847,9.52773108,21.16052556,36.64190427,0.497601842,1.33336708,6.234256166,2.695938102,0.3023605,0.675247136,0.292003478,0.468272813,0.506825643,0.236013662,9.232554767,19.50730673,33.82168544,0.512870704,1.211112118 +UMLKV0157,L,"1,2-DIPHENYLETHANE",C1=CC=C(C=C1)CCC2=CC=CC=C2,C14H14,Aromatic with multiple rings connected through other saturated carbon species,Aromatics,103-29-7,3.387438038,PubChem,,2.8516,0,2.5404,6.45363216,69.2022,33.975102,12,12,28,14,14,0,14,0,0,0,0,0,0,0,0,0,2033.92259,2333.461047,2937.78477,2612.009751,1870.539226,1729.318426,1672.761562,1380.169064,778.898404,6364.409047,7959.066155,10898.09698,10856.27665,8633.553885,7381.049466,6673.433045,5702.064264,3778.523424,199.62572,212.754588,348.459912,449.96406,424.900072,366.362344,284.144104,242.189216,197.791888,45.26918067,57.42312034,82.26866649,87.25645002,72.86331302,61.27923292,53.26815244,45.91190082,32.5292122,4363.968114,4045.631009,6939.56505,9633.338883,9432.792616,8334.992651,6243.161244,5249.901924,4436.479404,64.05555556,78.58333333,115.6666667,128.7777778,110.6666667,95,84.33333333,75.33333333,56,72.6400925,80.46417403,61.20384938,41.46047224,31.17565377,33.25612358,41.81903905,40.59320776,27.81780014,227.3003231,274.4505571,227.0436871,172.3218516,143.8925647,141.943259,166.8358261,167.7077725,134.9472652,7.12949,7.336365103,7.2595815,7.142286667,7.081667867,7.045429692,7.1036026,7.123212235,7.063996,1.616756452,1.980107598,1.713930552,1.385023016,1.21438855,1.178446787,1.331703811,1.350350024,1.161757579,155.8560041,139.5045176,144.5742719,152.910141,157.2132103,160.2883202,156.0790311,154.4088801,158.445693,2.287698413,2.709770115,2.409722222,2.044091711,1.844444444,1.826923077,2.108333333,2.215686275,2,0.084303102,0.003058477,-0.030557584,-0.029391823,-0.011533675,0.031041673,0.006644071,-0.012470927,-0.014336608,847.462063,30.26650225,-242.132018,-272.3985203,-242.132018,242.132018,121.066009,-60.5330045,-121.066009,1575.891894,56.28185336,-450.2548269,-506.5366802,-450.2548269,450.2548269,225.1274134,-112.5637067,-225.1274134,0.166012,0.005929,-0.047432,-0.053361,-0.047432,0.047432,0.023716,-0.011858,-0.023716,7.044969994,0.251606071,-2.01284857,-2.264454641,-2.01284857,2.01284857,1.006424285,-0.503212142,-1.006424285,38.26838882,1.366728172,-10.93382538,-12.30055355,-10.93382538,10.93382538,5.466912688,-2.733456344,-5.466912688,5.956349206,0.471797052,-1.286281179,-2.665674603,-2.513605442,2.192176871,1.677437642,-0.085884354,-1.138888889,0.003010825,1.05E-04,-6.37E-04,-4.67E-04,-1.92E-04,5.97E-04,1.66E-04,-3.67E-04,-5.12E-04,30.26650225,1.043672491,-5.044417042,-4.323786036,-4.035533633,4.656384962,3.026650225,-1.780382485,-4.323786036,56.28185336,1.940753564,-9.380308893,-8.040264766,-7.504247115,8.658746671,5.628185336,-3.310697256,-8.040264766,0.005929,2.04E-04,-9.88E-04,-8.47E-04,-7.91E-04,9.12E-04,5.93E-04,-3.49E-04,-8.47E-04,0.251606071,0.008676071,-0.041934345,-0.035943724,-0.033547476,0.038708626,0.025160607,-0.014800357,-0.035943724,1.366728172,0.047128558,-0.227788029,-0.195246882,-0.182230423,0.210265873,0.136672817,-0.080395775,-0.195246882,0.212726757,0.016268864,-0.026797525,-0.042312295,-0.041893424,0.042157248,0.041935941,-0.00252601,-0.040674603,0.035028514,-0.211442482,-0.154953162,-0.063845595,0.198269654,0.055168196,-0.121824403,-0.170060265,0.034482759,-0.166666667,-0.142857143,-0.133333333,0.153846154,0.1,-0.058823529,-0.142857143,0.034482759,-0.166666667,-0.142857143,-0.133333333,0.153846154,0.1,-0.058823529,-0.142857143,0.034482759,-0.166666667,-0.142857143,-0.133333333,0.153846154,0.1,-0.058823529,-0.142857143,0.034482759,-0.166666667,-0.142857143,-0.133333333,0.153846154,0.1,-0.058823529,-0.142857143,0.034482759,-0.166666667,-0.142857143,-0.133333333,0.153846154,0.1,-0.058823529,-0.142857143,0.07647775,-0.125971575,-0.198904434,-0.196935376,0.198175575,0.197135243,-0.011874437,-0.191205863,0.902026157,1.108183582,1.056852979,0.940120653,0.659208555,0.899072243,1.249346852,1.376863277,0.931034483,1.125,1.102040816,1.092857143,0.815934066,0.867857143,1.021008403,1.102040816,0.931034483,1.125,1.102040816,1.092857143,0.815934066,0.867857143,1.021008403,1.102040816,0.931034483,1.125,1.102040816,1.092857143,0.815934066,0.867857143,1.021008403,1.102040816,0.931034483,1.125,1.102040816,1.092857143,0.815934066,0.867857143,1.021008403,1.102040816,0.931034483,1.125,1.102040816,1.092857143,0.815934066,0.867857143,1.021008403,1.102040816,0.898780124,1.041430713,1.107261825,1.089173884,0.707067083,0.821602265,1.125837677,1.295136576,80.70381375,40.35190688,65.26062442,80.70381375,5.764558125,40.35190688,-1.42E-14,6.66E-16,4.76E-17,-48.92305754,74.08347067,5.291676476,6.027269415,80.70381375,40.35190688,65.26062442,80.70381375,5.764558125,40.35190688,-1.42E-14,6.66E-16,4.76E-17,-48.92305754,74.08347067,5.291676476,6.027269415,80.70381375,40.35190688,65.26062442,80.70381375,5.764558125,40.35190688,-1.42E-14,6.66E-16,4.76E-17,-48.92305754,74.08347067,5.291676476,6.027269415,80.70381375,40.35190688,65.26062442,80.70381375,5.764558125,40.35190688,-1.42E-14,6.66E-16,4.76E-17,-48.92305754,74.08347067,5.291676476,6.027269415,80.70381375,40.35190688,65.26062442,80.70381375,5.764558125,40.35190688,-1.42E-14,6.66E-16,4.76E-17,-48.92305754,74.08347067,5.291676476,6.027269415,80.70381375,40.35190688,65.26062442,80.70381375,5.764558125,40.35190688,-1.42E-14,6.66E-16,4.76E-17,-48.92305754,74.08347067,5.291676476,6.027269415,99.33053739,49.34397969,82.77388718,99.23348523,7.088106088,49.34397969,-0.16984127,0.003138059,2.24E-04,-8.069810954,68.78786094,4.913418639,5.923438205,0,11.85,12.15017245,-0.210039336,0.090160014,6.576787109,8.919696707,15,29,23,17,3,6,0,0,0,12,15.304898,3.821835482,3.730499184,3.102501626,2.660613129,2.619181914,2.619181914,2.202810951,1.504026177,2.018233728,1.923178218,1.522472871,1.082250302,1.082250302,1.060945469,0.827104614,0.634064321,3.833864325,3.74224393,3.128396871,2.681502641,2.645815032,2.645815032,2.242070125,1.592268517,1.986489537,1.891951837,1.457447097,1.007167592,1.007167592,0.990562968,0.733064146,0.49586656,3.888412805,3.795624699,3.247229844,2.783632224,2.771820215,2.771820215,2.421772389,1.965214975,1.899681811,1.806673784,1.271827573,0.806111584,0.798620231,0.798620231,0.458719164,0.03531327,3.842806009,3.750981131,3.147755104,2.697427756,2.665925019,2.665925019,2.271423467,1.656787483,1.966906637,1.872695167,1.41644419,0.960278991,0.960278991,0.947638172,0.673200095,0.40329651,3.91615904,3.822840313,3.307681307,2.839715304,2.838078588,2.838078588,2.512351019,2.133302438,1.874305698,1.781802329,1.216403104,0.756118132,0.738564276,0.738564276,0.375316519,0.126067794,3.852083786,3.790496282,3.098581141,2.740715257,2.740715257,2.704015366,2.283317685,1.672463473,1.973571892,1.829503047,1.429933792,0.925461265,0.873250273,0.873250273,0.617310804,0.340722106,0,0,0,10,2,0,2,0,0,0,0,0,0.204124145,0.144337567,0,0,0,0.06415003,0.045360921,0.40824829,0,0,0,0.23570226,0,0,0,0.866025404,1.187287393,1.337429925,0.438832194,0.511485683,0.485004885,9.639981913,6.949489743,5.585421959,4.43265299,3.423034123,2.707908119,1.28445705,0.870790812,0.688570137,0.463299316,0.31030122,0.211078714,0.142626422,0.096711004,0.064222853,0.043539541,8.187716254,5.028473986,3.471197119,2.387999593,1.57802961,1.067818443,0.490508088,0.286372252,0.584836875,0.335231599,0.192844284,0.113714266,0.065751234,0.038136373,0.024525404,0.014318613,17.79279463,27.21485798,26.07843137,26.32,19.58988144,208.3966479,0.635456951,0.971959213,0.931372549,0.94,0.699638623,7.442737425,3.4718,60.292,89.45993032,131.4802725,178.9198606,12.77999005,89.45993032,9.99E-16,7.14E-17,-48.35540639,99.91013751,7.136438393,6.44597962,212,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,2,0,0,10,0,0,0,0,0,0,0,0,0,0,2,0,0,10,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,24.0737037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.19,0,0.890555556,0,0,4.19,0,0,0,0,0,0,0,0,0,0,2.25962963,0,0,21.24712396,0,0,0,0,2.826579743,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.413289872,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0.445277778,0,0,0.406597222,0,0,0,0,0,0,0,0,0,0,1.129814815,0,0,2.061524943,0,0,0,0,1.413289872,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.183472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.433055556,0,0.445277778,0,0,0.433055556,0,0,0,0,0,0,0,0,0,0,1.129814815,0,0,2.183472222,0,0,0,0,1.413289872,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26.33333333,1.880952381,0.445277778,2.183472222,0.159722222,1.129814815,8.007347494,0.370185185,0.183472222,2.494247921,0.370185185,0.183472222,2.494247921,7,0.5,0,0,0.5,0.7,0.44,0.44,0.7,0.06,0.06,0,0,0.71429,0,0,0,0.14286,0,19.5,1.39286,7.5,0.53571,12,0.85714,4.5,0.32143,0,0,7.47312,0.53379,17.32207,9.84894,0.7035,2.98511,0.21322,6.94948,3.96436,0.28317,-0.03548,-0.00253,0.13652,0.00975,0.5,43,0,0,0,0,0,0,0.142857143,1,2.005977711,2.352745781,3.039148672,3.378783493,3.378783493,28,56.16737592,65.87688186,85.09616281,94.60593782,94.60593782,0.208014598,0.417272647,0.489405467,0.632187288,0.702836289,0.702836289,3.807354922,2.801377211,2.454609141,1.76820625,1.428571429,1.428571429,0.194959022,0.391083453,0.458689016,0.592509452,0.658724325,0.658724325,6.503912516,13.8318589,17.99307573,22.41817513,22.76046761,22.76046761,49,45.26676764,40.20557976,32.00821957,30.78258142,30.78258142,10.51555556,5.777777778,3.591836735,2,6,2,3,1.606,0,0,0,0,19.67152367,9.627407799,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.181,0.184,0.979,1.288,7.066,18,21,24,28,20,20,20,20,16,216,3.091042453,3.583518938,4.051784948,4.502583597,4.968944867,4.523146351,4.721841493,5.029620594,5.432902891,5.614495784,7.102653665,5.621238426,0.444444444,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.2,3,0.2,0,5,9,0.8,1.5,0.666666667,0.125,0.302222222,0.180555556,0.001632653,0.048611111,0.032249937,0,0,0.1,0.037037037,0.008333333,0.030222222,0.018055556,1.63E-04,0.006076389,0.008062484,0,0,0.207950287,50.32729725,78.88440053,100.6545945,7.189613893,50.32729725,1.39E-16,9.91E-18,-51.11911983,80.61658045,5.758327175,6.145586078,0,188.3685739,4.807354922,4.204692619,4.976733742,5.765191103,6.549650742,7.342779189,8.13123655,8.925720274,9.715771471,10.51061377,95.12238947,3.433987204,0,4.634728988,0,6.042632834,0,7.529943371,0,9.049114723,9.300089664,182.1095504,6.503912516,28.59004649,2.042146178,0,0,0,343,15,4.398,66,1.249642795,2.219256525,3.037428234,3.893622114,4.688068599,5.525880037,6.225382724,7.135239624,8.113416799,9.145558776,109.8161352,144.5599675,131.7426033,131.8026163,168.3310219,247.4681146,273.6212965,209.4987402,120.5692532,42.88856046,364.6117149,525.2388513,542.4241644,588.1828181,700.096751,960.8521299,1104.911955,999.1571912,770.76245,537.6731371,9.19748141,16.14490535,21.74700849,27.62923133,33.10466607,39.31025194,44.48725204,50.50497185,56.48235036,62.65323678,2.591875355,3.923202625,4.330289888,4.893195211,5.733643249,7.572569887,8.781403496,8.525525283,7.374880618,6.092509654,172.4851191,318.6123999,460.5111027,608.2182728,746.0833878,858.8706186,950.9370874,1122.949983,1346.69921,1594.863941,3.479362706,5.452286732,6.320880548,7.321406594,8.76515139,11.86019141,14.26804291,14.58913436,13.50461386,12.17468282,0.530975969,0.811450175,0.907186428,1.033157748,1.208873452,1.584871563,1.83894711,1.807734497,1.595236325,1.353312687,293.9798994,219.0806463,16.24162219,159.161625,-118.6109382,-9.39076041,134.8182744,337.6915845,25.6323826,0.648759568,0.483470692,0.035842273,0.351240432,-0.261752525,-0.020723681,133.2144998,99.27453806,7.359753441,72.12274141,-53.74754135,-4.255343488,0.083235334,0.082849949,0.482430053,1.026574556,453.1415245,0,1,0,1136.625076,33.71387068,10.43612033,1274.366704,35.69827313,10.8417188,2032.211014,45.08005117,12.66648948,2.046432403,2.046432403,1683.25605,1509.430156,246.4295348,1.115159945,6.83057756,6.125199878,5.433289732,5.748735656,10.30982476,0.793407346,4.721430866,4.265596398,5.912146733,16.41320484,5.901448451,7.052479275,5.660886394,8.98908556,9.368708248,10.26256152,10.61415907,2.372153976,8.436668982,3.822585211,5.659292772,1.24765754,2.425701939,0.182983591,1.713314132,0.026872219,2.05E-21,3.03E-62,8.62E-125,4.73E-209,5.002914253E-315,0,0,0,0,0,0.396456676,4.265511071,0.49103484,6.237592764,1.797425248,2.117260033,0.651260538,1.789641307,3.702872196,2.24655305,4.350190875,0.329447048,3.054766992,1.022699442,1.817660846,0.031328455,0.201598683,0.002611585,0.012067012,1.89E-04,1.45E-23,2.13E-64,6.07E-127,3.33E-211,3.523593E-317,0,0,0,0,0,1.279276113,4.265517084,1.587212849,7.299055237,2.331745513,2.979761001,1.609125948,3.149234201,4.532258499,3.386719461,5.360502711,0.644530367,3.986067448,1.512905988,2.367831785,0.146252225,0.652085633,0.016828532,0.125747564,0.001972269,1.51E-22,2.22E-63,6.33E-126,3.47E-210,3.671856E-316,0,0,0,0,0,4.456659045,4.26558714,5.576595747,15.43097662,5.5428708,6.699094062,5.33130984,8.509438002,8.906121492,9.596333448,10.13576862,2.211060315,8.048021583,3.622413486,5.341333602,1.126018189,2.288305768,0.163945923,1.526532046,0.023942663,1.83E-21,2.70E-62,7.68E-125,4.21E-209,4.45750653E-315,0,0,0,0,0,1.885303981,4.265524597,2.342788655,8.329267687,2.788624879,3.614859488,2.285883083,4.115203628,5.198738346,4.316701948,6.133713229,0.891074493,4.675039114,1.873559986,2.814982779,0.264739628,0.962370006,0.033298673,0.273140512,0.004284031,3.28E-22,4.83E-63,1.37E-125,7.54E-210,7.9757619E-316,0,0,0,0,0,5.701761743,4.265635258,7.158713007,20.45789443,7.350967852,8.419101437,6.907150873,10.80917572,11.21285962,12.92856419,12.49319223,3.009532696,9.942839845,4.596391195,6.930539778,1.751598743,2.935823957,0.26254971,2.498707642,0.039190605,3.00E-21,4.42E-62,1.26E-124,6.90E-209,7.29628026E-315,0,0,0,0,0,2.511460009,3.546511368,3.177028881,8.701528834,2.964338241,4.10930069,2.942231651,4.934216127,5.8123467,5.465664249,6.941914341,1.221706344,5.691927826,2.453732978,3.624044252,0.429943733,1.363978663,0.056583061,0.48426312,0.007595352,5.81E-22,8.56E-63,2.44E-125,1.34E-209,1.414058763E-315,0,0,0,0,0,8.749315212,2.084015343,0.415769619,0.777779118,0.185260626,0.533534574,0.525032319,0.240632514,11.24910017,22.73787686,41.56799851,0.666668677,1.299199407,8.089170471,1.155342862,0.199510172,0.856538579,0.122335873,0.457146871,0.161561402,0.056485239,9.444023506,11.19013981,22.49873857,0.784807868,0.675193512,8.300732805,1.453452024,0.269664943,0.828098285,0.144999382,0.480933915,0.255482641,0.102314876,10.02384977,14.69507858,27.97235954,0.742147428,0.838731432,8.726709301,2.05229278,0.40848056,0.780042265,0.183445449,0.530813233,0.509171705,0.232365731,11.18748264,22.31277529,40.81604773,0.670063398,1.272350668,8.413426942,1.612072193,0.30667886,0.814293651,0.156024431,0.493871348,0.314225712,0.131888327,10.332178,16.63766027,31.12933948,0.721440476,0.939985386,8.823048918,2.187444391,0.439494901,0.770572751,0.191043375,0.54246295,0.578437283,0.268527956,11.44998821,24.13898453,44.07119307,0.655859127,1.389428189,8.752681338,2.051916641,0.407276957,0.780661699,0.183012801,0.533972962,0.508980013,0.230882557,11.21187494,22.36023628,40.88671272,0.670992549,1.273835533 +UMLKV0158,L,1-METHYLNAPHTHALENE,CC1=CC=CC2=CC=CC=C12,C11H10,Aromatic with multiple condensed rings,Aromatics,90-12-0,3.157350687,PubChem,,2.1179,0,2.3942,5.73219364,53.4348,26.02793,10,11,21,11,10,0,11,0,0,0,0,0,0,0,0,0,1597.065971,1852.240332,2517.094624,2459.612247,1644.488001,722.432091,111.0816,5.08032,0,4969.523364,6229.568985,8820.04414,9261.851041,7241.863585,4251.414071,1353.065353,155.4187222,0,150.130316,161.662512,261.803392,317.523228,314.187588,260.230188,150.999552,33.59232,0,35.12402905,44.6022431,64.88649198,70.78162796,59.39163101,38.86896108,15.13293515,2.223064524,0,3243.914437,3052.75775,5186.545965,6501.444747,6723.004105,5936.295838,3813.82751,924.5882601,0,50.33333333,62.22222222,90.77777778,103.6666667,95,68.66666667,30,5,0,76.05076052,84.19274236,69.91929511,55.90027834,37.3747273,19.52519165,5.049163636,1.016064,0,236.6439697,283.1622266,245.0012261,210.4966146,164.5878088,114.903083,61.50297059,31.08374443,0,7.149062667,7.348296,7.272316444,7.216437,7.140627,7.033248324,6.863616,6.718464,0,1.672572812,2.027374686,1.802402555,1.608673363,1.349809796,1.050512462,0.687860689,0.444612905,0,154.4721161,138.7617159,144.0707212,147.7601079,152.7955478,160.4404281,173.3557959,184.917652,0,2.396825397,2.828282828,2.521604938,2.356060606,2.159090909,1.855855856,1.363636364,1,0,0.056487036,-0.003336586,-0.015706404,0.002245335,-0.015709271,-0.020846755,0.012314004,0.012796158,0,634.1552852,27.45260975,25.53092707,-146.8714622,-365.943288,-246.7989617,223.4642434,166.088289,0,1179.238832,51.0493001,47.47584909,-273.1137555,-680.4871703,-458.9332079,415.5413028,308.8482656,0,0.124226667,0.005377778,0.005001333,-0.028771111,-0.071685778,-0.048346222,0.043775111,0.032535556,0,5.271746254,0.228214124,0.212239135,-1.220945561,-3.042094267,-2.051644971,1.857662966,1.380695447,0,28.63620932,1.239662741,1.152886349,-6.632195665,-16.52470434,-11.14456804,10.09085471,7.499959584,0,4.571428571,-0.551020408,-0.0430839,-0.229024943,-1.514739229,-2.260770975,1.179138322,1.133786848,0,0.002689859,-1.52E-04,-4.36E-04,5.10E-05,-3.57E-04,-5.63E-04,5.60E-04,0.002559232,0,30.19787073,1.247845898,0.709192419,-3.337987776,-8.316892909,-6.670242207,10.15746561,33.2176578,0,56.15423011,2.320422732,1.318773586,-6.207130808,-15.46561751,-12.40360021,18.88824104,61.76965312,0,0.005915556,2.44E-04,1.39E-04,-6.54E-04,-0.001629222,-0.001306655,0.001989778,0.006507111,0,0.251035536,0.010373369,0.005895532,-0.027748763,-0.069138506,-0.055449864,0.084439226,0.276139089,0,1.363629015,0.056348306,0.032024621,-0.15073172,-0.375561462,-0.301204542,0.458675214,1.499991917,0,0.217687075,-0.025046382,-0.001196775,-0.005205112,-0.034425892,-0.061101918,0.053597196,0.22675737,0,-0.056383251,-0.162197733,0.018971386,-0.132731462,-0.209462961,0.208088045,0.95143716,0,0.041322314,0.023484848,-0.11053719,-0.275413223,-0.220884521,0.336363636,1.1,0,0.041322314,0.023484848,-0.11053719,-0.275413223,-0.220884521,0.336363636,1.1,0,0.041322314,0.023484848,-0.11053719,-0.275413223,-0.220884521,0.336363636,1.1,0,0.041322314,0.023484848,-0.11053719,-0.275413223,-0.220884521,0.336363636,1.1,0,0.041322314,0.023484848,-0.11053719,-0.275413223,-0.220884521,0.336363636,1.1,0,-0.115056818,-0.005497685,-0.023910985,-0.158143939,-0.280686937,0.246212121,1.041666667,0,0.958423605,1.006141706,0.904148751,1.093978505,1.234996093,0.839408612,0.122827028,0,0.867768595,0.901515152,1.041322314,1.214876033,1.186732187,0.694214876,0,0,0.867768595,0.901515152,1.041322314,1.214876033,1.186732187,0.694214876,0,0,0.867768595,0.901515152,1.041322314,1.214876033,1.186732187,0.694214876,0,0,0.867768595,0.901515152,1.041322314,1.214876033,1.186732187,0.694214876,0,0,0.867768595,0.901515152,1.041322314,1.214876033,1.186732187,0.694214876,0,0,1.049558081,0.864197531,0.905934343,1.121369949,1.326951952,0.795454545,0,0,36.07996325,18.03998162,25.2932609,36.07996325,3.279996659,18.03998171,0,0.034468496,0.0031335,-3.704480482,162.773403,14.79758209,5.601594974,36.07996325,18.03998162,25.2932609,36.07996325,3.279996659,18.03998171,0,0.034468496,0.0031335,-3.704480482,162.773403,14.79758209,5.601594974,36.07996325,18.03998162,25.2932609,36.07996325,3.279996659,18.03998171,0,0.034468496,0.0031335,-3.704480482,162.773403,14.79758209,5.601594974,36.07996325,18.03998162,25.2932609,36.07996325,3.279996659,18.03998171,0,0.034468496,0.0031335,-3.704480482,162.773403,14.79758209,5.601594974,36.07996325,18.03998162,25.2932609,36.07996325,3.279996659,18.03998171,0,0.034468496,0.0031335,-3.704480482,162.773403,14.79758209,5.601594974,36.07996325,18.03998162,25.2932609,36.07996325,3.279996659,18.03998171,0,0.034468496,0.0031335,-3.704480482,162.773403,14.79758209,5.601594974,40.86933405,19.79630442,28.39428692,40.8362762,3.712388745,19.79630444,-0.072727273,0.0723131,0.006573918,-2.889424973,111.0127706,10.09207006,5.18060977,0,11.85,12.15012665,-0.185626232,0.116987395,6.423772469,9.508234582,12,22,17,11,1,5,0,0,0,11,10.93207,3.994305139,3.32510385,2.985816627,2.508420549,2.468505006,1.945200867,1.045692808,0.803593918,2.115800137,1.620511443,1.408029581,1.072890841,0.870843509,0.687942752,0.304755044,0.242552779,4.001435452,3.342192268,3.007297468,2.540438778,2.496623639,1.998328711,1.13995272,0.921893241,2.095278724,1.570705581,1.335181848,0.994361054,0.801057303,0.584604488,0.148926868,0.07612974,4.034186206,3.421550566,3.114402387,2.713427751,2.600891763,2.225712924,1.55151819,1.41369408,2.041049002,1.438294113,1.138362308,0.748847748,0.622483103,0.270077653,0.369870863,0.49630913,4.006755479,3.354996199,3.023774926,2.567277745,2.514929761,2.037108583,1.209879923,1.008242044,2.082815242,1.540337266,1.289843581,0.943223945,0.75901609,0.517773019,0.044539751,0.036567747,4.051150826,3.462972323,3.174332015,2.79928426,2.654720174,2.333445176,1.740287645,1.628130726,2.025644721,1.400750986,1.085235808,0.668265007,0.574308649,0.168961529,0.550477749,0.704745151,3.98486929,3.396385387,3.040786222,2.621809377,2.516099551,2.088966586,1.287739496,1.100705873,2.101712999,1.491329542,1.239873705,0.879080642,0.738369198,0.450996335,0.057184874,0.14831554,0,0,0,7,3,1,0,0,0,0,0,0,0.151374715,0.271304514,0,0,0,0.051834039,0.081760435,0.538451691,0,0.164266427,0,0.299839684,0,0.065722928,0,1.440177475,2.343625286,3.032808549,0.663675135,0.891346035,0.953923167,7.681798276,5.377010098,4.61657886,3.93315398,3.259982962,2.51337767,1.371433079,0.810480387,0.698345298,0.448084175,0.288536179,0.187293047,0.12538396,0.083779256,0.059627525,0.040524019,6.541451884,3.821367205,2.796046574,2.007638632,1.387357326,0.881178663,0.404172547,0.196120185,0.594677444,0.318447267,0.174752911,0.09560184,0.053359897,0.029372622,0.017572719,0.009806009,13.70913902,20.43918427,19.62745098,19.8,14.99277246,155.5974431,0.652816144,0.973294489,0.934640523,0.942857143,0.713941545,7.409402053,2.86782,47.588,77.56646343,94.77890869,155.1329269,14.10299335,77.56646343,0.024472618,0.002224783,-4.081220465,146.7616978,13.34197253,5.487691185,99,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,7,0,0,0,0,0,0,0,0,1,0,0,0,0,7,0,0,0,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.8587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.054027778,0,0,0,0,3.054027778,0,0,0,0,0,0,0,0,2.141203704,0,0,0,0,14.82583333,0,0,0,0,1.350092593,2.68287037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.326388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,0,0,0,0.422222222,0,0,0,0,0,0,0,0,2.141203704,0,0,0,0,2.071203704,0,0,0,0,1.350092593,1.326388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.157407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.443055556,0,0,0,0,0.443055556,0,0,0,0,0,0,0,0,2.141203704,0,0,0,0,2.157407407,0,0,0,0,1.350092593,1.356481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21,1.909090909,0.443055556,2.157407407,0.1875,1.326388889,6.524021389,0.340277778,0.157407407,1.934074074,0.340277778,0.157407407,1.934074074,5.5,0.5,0,0,0.50952,0.7,0.44194,0.44194,0.7,0.06759,0.06759,0,0,0.71429,0,0,0.09091,0.27273,0,16,1.45455,6,0.54545,10,0.90909,4,0.36364,0,0,5.34393,0.48581,13.07157,7.72763,0.70251,2.11426,0.19221,5.37699,3.26273,0.29661,0.03701,0.00336,0.20901,0.019,0.476190476,34,0,0,0,0,0,0,0.090909091,0.998363673,2.199086165,2.777262806,3.522571589,3.975418018,4.070656113,20.96563712,46.18080947,58.32251892,73.97400337,83.48377838,85.48377838,0.227297706,0.500666494,0.632300114,0.80198475,0.905084409,0.92676729,3.39395375,2.193231258,1.615054617,0.869745834,0.416899405,0.32166131,0.208803297,0.459929036,0.580852095,0.736730094,0.831440899,0.851359521,6.377551321,16.17321944,23.11133913,26.74649954,28.24976331,29.39262046,37.34828698,33.47770282,25.61396243,20.35711754,18.06656238,16.69952386,7.638888889,3.1640625,1.451247166,0,10,0,2.67,1.2263,0,2.0318649,1.650963624,0,8.737028661,10.12736582,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.193,0.184,0.895,1.4,5.846,16,21,26,30,23,20,17,15,3,194,2.917770732,3.569532696,4.226833745,4.835289351,5.38764377,5.497168225,5.768125664,6.018745271,6.2900996,4.756431651,7.649501943,10.81752376,0.4,2,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,3,0,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.083333333,0,3,5,0.666666667,1.5,1.333333333,0.6875,0.435555556,0.0625,0,0,0,0,0,0.125,0.083333333,0.045833333,0.048395062,0.020833333,0,0,0,0,0,0.323395062,25.96497222,36.72895314,51.92994444,4.72090404,25.96497222,0.018645903,0.001695082,-4.380341732,117.1701981,10.65183619,5.239990318,0,139.1170787,4.459431619,4.043051268,4.875197323,5.726847748,6.575075841,7.431891917,8.283241441,9.140883107,9.992916837,10.85063721,89.91974269,3.218875825,0,4.48863637,0,5.998936562,0,7.617267814,0,9.28405541,9.497172083,142.0782503,6.765630968,22.50823268,2.046202971,0,0,0,140,15,3.616,56,1.253841244,2.221343462,3.111027964,4.027160338,4.892596564,5.850218692,6.659280577,0,0,0,114.5294601,166.4342639,181.6914877,160.982842,97.87561133,29.19255359,6.76625526,0,0,0,375.9871849,572.1007215,677.740016,692.1930128,576.6020538,357.194969,206.9953755,0,0,0,9.242283752,16.20178866,22.5049972,28.8208843,34.47469457,40.14119633,44.74013682,0,0,0,2.655656985,4.161997764,5.14623859,5.613555366,5.251328806,4.003257684,2.960802081,0,0,0,172.1991389,316.847651,455.7310194,610.729935,779.9195621,1015.161663,1231.418528,0,0,0,3.639596705,5.760038073,7.503860485,8.915448084,9.241520644,7.946360309,6.659280577,0,0,0,0.543361382,0.856793645,1.068015186,1.178964879,1.12486113,0.887491481,0.681910331,0,0,0,244.9131964,126.8119771,12.75060863,187.9056925,-97.29444036,-9.761084899,57.00750392,224.1064175,22.51169353,0.565856072,0.292990857,0.029459455,0.434143928,-0.224792501,-0.022552354,106.0030575,54.88661904,5.518704259,81.32913302,-42.11087157,-4.22478192,0.120455821,0.118131149,1.545543098,1.486026132,432.8188889,0,1,0,913.6407562,30.22649097,9.703427266,1011.997303,31.81190505,10.03983214,1615.492425,40.19318879,11.73369987,1.236468942,1.139581568,681.3749424,429.0364862,255.7096597,1.588151508,2.664642952,1.677826668,4.316456332,3.806611387,7.114111634,0.868883086,3.360759123,3.605864235,5.15708543,10.91144169,0.302367179,5.820028361,5.08865075,5.895232105,6.881455997,0.73118265,10.93320111,0.142017213,1.358986802,3.86E-07,8.30E-35,3.85E-84,3.47E-155,6.02E-248,0,0,0,0,0,0,0,0,0,0,0,0,0.282178317,3.605802667,0.420385223,7.262928176,0.155774958,0.548549383,1.129559555,0.387291425,2.772844549,0.018490331,0.536313305,0.00100024,0.009571455,2.72E-09,5.85E-37,2.71E-86,2.44E-157,4.24E-250,0,0,0,0,0,0,0,0,0,0,0,0,0.910582293,3.605807007,1.365095607,7.724167065,0.185696983,1.325595213,1.926995287,1.302087497,3.482538409,0.087939127,1.982491005,0.010423263,0.099741942,2.83E-08,6.09E-36,2.83E-85,2.54E-156,4.42E-249,0,0,0,0,0,0,0,0,0,0,0,0,3.172290612,3.605857555,4.859271708,10.58778922,0.293392705,5.391544598,4.842493007,5.483928577,6.584307502,0.660656338,10.05754744,0.126534781,1.210832774,3.44E-07,7.40E-35,3.43E-84,3.09E-155,5.36E-248,0,0,0,0,0,0,0,0,0,0,0,0,1.341961921,3.605812429,2.020186793,8.124970271,0.206237685,1.947784805,2.477586727,1.992268847,4.008012283,0.158187509,3.175979529,0.022640717,0.216652827,6.15E-08,1.32E-35,6.14E-85,5.53E-156,9.59E-249,0,0,0,0,0,0,0,0,0,0,0,0,4.058573188,3.605892273,6.268653158,12.22365637,0.335595844,7.526602035,6.004359681,7.502251807,8.03346376,1.022848,14.44690491,0.207118754,1.981954531,5.62E-07,1.21E-34,5.62E-84,5.06E-155,8.78E-248,0,0,0,0,0,0,0,0,0,0,0,0,1.844305284,3.193013766,2.705440824,8.28124376,0.23873618,2.42178526,3.055668741,2.687788111,4.874187269,0.248209885,4.639040133,0.038966178,0.37287393,1.06E-07,2.28E-35,1.06E-84,9.51E-156,1.65E-248,0,0,0,0,0,0,0,0,0,0,0,0,4.287105813,3.04827903,0.079637831,0.578164896,0.411095038,0.545167679,0.551802201,0.095243761,7.415022674,13.65246889,22.10822221,0.483889901,1.192213641,3.018096532,1.815920473,0.011855734,0.622817951,0.374735485,0.270686623,0.194768896,0.00211084,4.845872739,5.537934101,10.44878365,0.496330155,0.467566359,3.407846468,2.208293508,0.033049713,0.603245183,0.390904471,0.344281251,0.290857998,0.016403384,5.64918969,7.711137048,13.60904319,0.491224481,0.651542633,4.241012148,3.005672264,0.077234226,0.579063253,0.410391269,0.533393555,0.53703854,0.089581288,7.323918638,13.30678464,21.61521511,0.484181782,1.160013382,3.621833794,2.418278289,0.044538515,0.595241047,0.397439138,0.388644392,0.349565344,0.029789925,6.084650597,9.02761965,15.50236537,0.489020278,0.767999661,4.438794174,3.187475611,0.087520234,0.57543622,0.413217835,0.584913015,0.600993971,0.11503092,7.71379002,14.81600109,23.76807537,0.482981083,1.300937905,4.244555582,3.006859366,0.077082394,0.579184979,0.410296849,0.534247769,0.537646016,0.089229424,7.328497341,13.32173812,21.63402123,0.484222742,1.161123209 +UMLKV0159,L,2-METHYLNAPHTHALENE,CC1=CC2=CC=CC=C2C=C1,C11H10,Aromatic with multiple condensed rings,Aromatics,91-57-6,3.157414141,PubChem,,1.8153,0,2.3942,5.73219364,53.4348,26.02793,10,11,21,11,10,0,11,0,0,0,0,0,0,0,0,0,1597.065971,1852.240332,2517.094624,2338.546238,1467.966872,793.03762,284.554537,55.5408,3.048192,4969.523364,6229.568985,8820.04414,9036.723628,6598.471812,3955.42753,1903.205893,676.5326765,93.25123329,150.130316,161.662512,261.803392,317.499512,312.168032,218.346448,132.863716,75.499776,20.155392,35.12402905,44.6022431,64.88649198,69.77520368,55.0405497,34.53198232,18.15017774,7.566467574,1.333838715,3243.914437,3052.75775,5186.545965,6495.977834,6876.512714,4959.437256,3105.565945,1906.913755,554.7529561,50.33333333,62.11111111,91.44444444,104.7777778,88.66666667,57.66666667,32.66666667,15,3,76.05076052,84.19274236,69.91929511,53.14877814,33.36288345,25.58185871,14.97655458,5.049163636,1.016064,236.6439697,283.1622266,245.0012261,205.3800825,149.9652685,127.5944364,100.1687312,61.50297059,31.08374443,7.149062667,7.348296,7.272316444,7.215898,7.094728,7.043433806,6.992827158,6.863616,6.718464,1.672572812,2.027374686,1.802402555,1.585800084,1.250921584,1.113934913,0.955272513,0.687860689,0.444612905,154.4721161,138.7617159,144.0707212,147.6358599,156.2843799,159.981847,163.4508392,173.3557959,184.917652,2.396825397,2.823232323,2.540123457,2.381313131,2.015151515,1.860215054,1.719298246,1.363636364,1,0.056290434,-0.002759782,-0.011172708,-0.013407966,-0.011029853,4.06E-04,-0.001948096,0.006623602,0.005143527,634.1552852,27.45260975,25.53092707,-267.9374712,-169.9316544,-71.37678535,-72.20036364,111.7321217,99.65297339,1179.238832,51.0493001,47.47584909,-498.241169,-315.9951676,-132.7281803,-134.2596593,207.7706514,185.3089594,0.124226667,0.005377778,0.005001333,-0.052487111,-0.033288444,-0.013982222,-0.014143556,0.021887556,0.019521333,5.271746254,0.228214124,0.212239135,-2.227369846,-1.412645425,-0.593356721,-0.600203145,0.928831483,0.828417268,28.63620932,1.239662741,1.152886349,-12.09910835,-7.673512368,-3.223123127,-3.260313009,5.045427356,4.49997575,4.571428571,-0.662131519,0.623582766,-1.578231293,-0.959183673,-0.256235828,-0.723356009,0.589569161,0.680272109,0.002680497,-1.25E-04,-3.10E-04,-3.05E-04,-2.51E-04,1.31E-05,-1.03E-04,6.02E-04,0.001714509,30.19787073,1.247845898,0.709192419,-6.089487981,-3.862083054,-2.302476947,-3.800019139,10.15746561,33.2176578,56.15423011,2.320422732,1.318773586,-11.32366293,-7.181708355,-4.281554202,-7.066297856,18.88824104,61.76965312,0.005915556,2.44E-04,1.39E-04,-0.001192889,-7.57E-04,-4.51E-04,-7.44E-04,0.001989778,0.006507111,0.251035536,0.010373369,0.005895532,-0.050622042,-0.032105578,-0.019140539,-0.031589639,0.084439226,0.276139089,1.363629015,0.056348306,0.032024621,-0.274979735,-0.174398008,-0.103971714,-0.171595422,0.458675214,1.499991917,0.217687075,-0.030096887,0.017321744,-0.035868893,-0.021799629,-0.008265672,-0.038071369,0.053597196,0.22675737,-0.046799027,-0.11578189,-0.113682839,-0.093519405,0.004886655,-0.038250881,0.224639562,0.639623543,0.041322314,0.023484848,-0.201652893,-0.127892562,-0.076246334,-0.125837321,0.336363636,1.1,0.041322314,0.023484848,-0.201652893,-0.127892562,-0.076246334,-0.125837321,0.336363636,1.1,0.041322314,0.023484848,-0.201652893,-0.127892562,-0.076246334,-0.125837321,0.336363636,1.1,0.041322314,0.023484848,-0.201652893,-0.127892562,-0.076246334,-0.125837321,0.336363636,1.1,0.041322314,0.023484848,-0.201652893,-0.127892562,-0.076246334,-0.125837321,0.336363636,1.1,-0.138257576,0.079571759,-0.164772727,-0.100142045,-0.03797043,-0.174890351,0.246212121,1.041666667,0.946410026,0.970267269,1.068373857,1.082273887,1.034132032,1.034088336,0.663469917,0.205638847,0.867768595,0.901515152,1.128099174,1.084710744,1.046920821,1.105263158,0.694214876,0,0.867768595,0.901515152,1.128099174,1.084710744,1.046920821,1.105263158,0.694214876,0,0.867768595,0.901515152,1.128099174,1.084710744,1.046920821,1.105263158,0.694214876,0,0.867768595,0.901515152,1.128099174,1.084710744,1.046920821,1.105263158,0.694214876,0,0.867768595,0.901515152,1.128099174,1.084710744,1.046920821,1.105263158,0.694214876,0,1.07165404,0.783179012,1.09927399,1.066130051,1.011424731,1.20248538,0.795454545,0,37.25766909,18.62883454,27.06826548,37.25766909,3.387060826,18.62883459,-3.55E-15,0.095659385,0.008696308,-2.581657618,72.04665479,6.54969589,4.705045282,37.25766909,18.62883454,27.06826548,37.25766909,3.387060826,18.62883459,-3.55E-15,0.095659385,0.008696308,-2.581657618,72.04665479,6.54969589,4.705045282,37.25766909,18.62883454,27.06826548,37.25766909,3.387060826,18.62883459,-3.55E-15,0.095659385,0.008696308,-2.581657618,72.04665479,6.54969589,4.705045282,37.25766909,18.62883454,27.06826548,37.25766909,3.387060826,18.62883459,-3.55E-15,0.095659385,0.008696308,-2.581657618,72.04665479,6.54969589,4.705045282,37.25766909,18.62883454,27.06826548,37.25766909,3.387060826,18.62883459,-3.55E-15,0.095659385,0.008696308,-2.581657618,72.04665479,6.54969589,4.705045282,37.25766909,18.62883454,27.06826548,37.25766909,3.387060826,18.62883459,-3.55E-15,0.095659385,0.008696308,-2.581657618,72.04665479,6.54969589,4.705045282,40.64404042,19.96791513,29.09541527,40.61098257,3.691907506,19.96791515,-0.072727273,0.124068496,0.011278954,-2.295613625,65.40980566,5.946345969,4.598739399,0,11.85,12.15012665,-0.206030368,0.094142035,6.095978034,9.180137524,12,22,17,11,1,5,0,0,0,11,10.93207,3.988346138,3.365521151,2.90191713,2.670698567,2.303297764,1.992947083,1.129867096,0.751172825,2.113229353,1.657535938,1.308017046,1.158512855,0.850404159,0.696849293,0.362669505,0.238375889,3.995768091,3.382005763,2.921734622,2.699403386,2.337951112,2.045704383,1.221903706,0.878556609,2.092347519,1.607566734,1.233710159,1.088559894,0.763934828,0.600749996,0.209870692,0.070575758,4.029697076,3.459327101,3.020174238,2.841073086,2.493453495,2.265854234,1.624257592,1.3952894,2.03677463,1.475797064,1.042404439,0.871313885,0.524939245,0.307873388,0.298759451,0.511931622,4.001297335,3.394395914,2.936886249,2.721509189,2.363718352,2.08388299,1.290194508,0.970705445,2.079627736,1.577158976,1.188204394,1.042981219,0.710279261,0.538872103,0.107501177,0.043340819,4.047173321,3.500163978,3.076130982,2.915172326,2.570656691,2.367469932,1.809177823,1.615691339,2.020873121,1.438941163,0.993291576,0.803308547,0.453723134,0.211701018,0.475563017,0.727527075,3.984414965,3.418994356,2.962239632,2.74416172,2.408831982,2.128786738,1.377347118,1.071057525,2.092535819,1.541794881,1.135838787,0.993054442,0.655004925,0.483923787,0.001321528,0.157607154,0,0,0,7,3,1,0,0,0,0,0,0,0.151374715,0.282117557,0,0,0,0.051834039,0.083909054,0.622008468,0,0.083333333,0,0.333333333,0,0.027777778,0,1.291973768,1.954251771,2.7110646,0.558012702,0.705341801,0.826774549,7.681798276,5.360173345,4.722840606,3.801871697,3.108068805,2.609602715,1.437044285,0.81192906,0.698345298,0.446681112,0.295177538,0.190093585,0.124322752,0.084180733,0.059876845,0.040596453,6.541451884,3.815384141,2.850604952,1.904967731,1.308742686,0.92284533,0.427896416,0.196836391,0.594677444,0.317948678,0.178162809,0.095248387,0.052349707,0.029769204,0.017829017,0.00984182,13.70913902,20.43918427,19.62745098,19.8,14.99277246,155.5974431,0.652816144,0.973294489,0.934640523,0.942857143,0.713941545,7.409402053,2.86782,47.588,77.22193473,93.59608077,154.4438695,14.04035177,77.22193473,0.045824348,0.00416585,-3.391233682,93.03013459,8.457284963,4.986215815,108,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,7,0,0,0,0,0,0,0,0,1,0,0,0,0,7,0,0,0,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.8825,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.049828515,0,0,0,0,3.049828515,0,0,0,0,0,0,0,0,2.1175,0,0,0,0,14.91555556,0,0,0,0,1.32287037,2.644074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.317685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,0,0,0,0.422222222,0,0,0,0,0,0,0,0,2.1175,0,0,0,0,2.06712963,0,0,0,0,1.32287037,1.317685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.203703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.444897959,0,0,0,0,0.444897959,0,0,0,0,0,0,0,0,2.1175,0,0,0,0,2.203703704,0,0,0,0,1.32287037,1.326388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21,1.909090909,0.444897959,2.203703704,0.1875,1.317685185,6.522205926,0.348981481,0.203703704,2.066111111,0.348981481,0.203703704,2.066111111,5.5,0.5,0,0,0.50952,0.7,0.44194,0.44194,0.7,0.06759,0.06759,0,0,0.71429,0,0,0.09091,0.27273,0,16,1.45455,6,0.54545,10,0.90909,4,0.36364,0,0,5.26718,0.47883,12.97475,7.70757,0.70069,2.11335,0.19212,5.36015,3.24681,0.29516,0.05385,0.0049,0.22585,0.02053,0.476190476,34,0,0,0,0,0,0,0.090909091,0.998363673,2.199086165,2.81320983,3.522571589,3.594465637,3.844232899,20.96563712,46.18080947,59.07740642,73.97400337,75.48377838,80.72889087,0.227297706,0.500666494,0.640484182,0.80198475,0.818352885,0.87521746,3.39395375,2.193231258,1.579107593,0.869745834,0.797851786,0.548084524,0.208803297,0.459929036,0.588370254,0.736730094,0.751766412,0.804004118,6.377551321,16.17321944,23.54270341,25.30448976,24.72520855,28.11755167,37.34828698,33.47770282,24.89397034,22.09630973,22.84388049,18.41440082,7.638888889,3.1640625,1.6,0,10,0,2.67,1.2263,0,1.968115314,1.310370697,0,8.780973945,10.61787552,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0.003,0.193,0.184,0.895,1.4,5.846,16,20,25,31,24,20,18,15,2,194,2.917770732,3.569532696,4.193435465,4.80811103,5.410529357,5.527815684,5.768125664,6.059469952,6.2900996,4.355255447,7.642655271,10.74367751,0.5,2,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,3,0,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.083333333,0,3,6,1,2,1.111111111,0.4375,0.555555556,0.083333333,0.04,0,0,0,0,0.166666667,0.069444444,0.03125,0.069444444,0.020833333,0.04,0,0,0,0,0.397638889,26.78480967,39.18469577,53.56961934,4.869965394,26.78480967,0.024155823,0.002195984,-4.095552783,76.75535012,6.977759101,4.774685402,0,139.1170787,4.459431619,4.043051268,4.859812404,5.707110265,6.543911846,7.394493107,8.236685323,9.087155271,9.93105408,10.78109982,89.58437339,3.218875825,0,4.48863637,0,5.983936281,0,7.581209826,0,9.225721474,9.444146871,142.0782503,6.765630968,22.50972442,2.046338584,0,0,0,144,14,3.616,56,1.253841244,2.221347751,3.105385194,4.000959407,5.133190126,6.113187061,7.052240912,7.889182889,0,0,114.5294601,166.0792044,173.3729444,145.2014831,136.3920826,94.83428266,35.32560982,8.015914723,0,0,375.9871849,571.2715081,660.9496412,638.0231652,668.9975781,627.0402527,431.6044832,245.2253447,0,0,9.242283752,16.20068288,22.4581708,28.49022996,36.18520819,42.8032155,48.39371322,53.00319123,0,0,2.655656985,4.157500789,5.064038715,5.250791027,5.802259179,5.945636103,4.833932453,3.507632521,0,0,172.1991389,316.9190527,454.9050175,617.5012537,819.0930256,994.9515576,1223.356142,1458.849176,0,0,3.635119785,5.807764218,7.564883995,8.373535161,9.670713048,10.66351628,9.591238367,7.889182889,0,0,0.543361382,0.855928104,1.052526644,1.106162398,1.234269436,1.282477646,1.071515519,0.807852328,0,0,269.004107,139.4971224,13.5675552,204.636375,-106.1180284,-10.25806522,64.36773191,245.6151508,23.82562042,0.56794999,0.294521114,0.028645261,0.43205001,-0.224047632,-0.021657915,127.4112349,66.07148428,6.426143385,96.92407131,-50.26179411,-4.858634954,0.120763229,0.117952638,1.918158528,5.67917008,473.640482,0,1,0,913.6407562,30.22649097,9.703427266,1011.997303,31.81190505,10.03983214,1598.134669,39.97667657,11.69152397,1.461118241,1.461118241,757.8987516,589.5424684,171.7274323,1.285571086,4.413381958,3.433012771,4.335279402,4.376012217,7.951876987,0.817151459,3.360759123,3.605864235,4.733725929,10.90418733,0.100847336,5.573266509,6.454116184,5.886578959,4.515046733,2.997183973,5.091410218,0.850162285,3.573908793,1.050277715,1.587169311,1.75E-13,3.73E-48,1.54E-104,1.22E-182,1.87E-282,0,0,0,0,0,0,0,0,0,0,0.282178317,3.605802667,0.385010464,6.724887948,0.023771834,0.591363161,1.191659187,0.499398526,1.707460261,0.189622593,0.549628799,0.316269074,0.136349695,0.077387065,0.011178563,1.23E-15,2.63E-50,1.08E-106,8.60E-185,1.32E-284,0,0,0,0,0,0,0,0,0,0,0.910582293,3.605807007,1.250799471,7.155102488,0.039503889,1.360913708,2.261363282,1.58562219,2.054987233,0.548029511,1.351239703,0.368067168,0.547943402,0.256901963,0.116489248,1.28E-14,2.74E-49,1.13E-105,8.96E-184,1.37E-283,0,0,0,0,0,0,0,0,0,0,3.172290612,3.605857555,4.459761493,10.49873637,0.096128582,5.180769426,6.130369029,5.552033952,4.263372191,2.749361744,4.76898078,0.797249019,3.260841286,0.983970712,1.414139282,1.56E-13,3.33E-48,1.37E-104,1.09E-182,1.67E-282,0,0,0,0,0,0,0,0,0,0,1.341961921,3.605812429,1.851632076,7.575990009,0.05030366,1.962632972,2.997010498,2.335263788,2.360527418,0.857806437,1.938773172,0.420603126,0.916621936,0.385796429,0.253030212,2.79E-14,5.95E-49,2.45E-105,1.95E-183,2.98E-283,0,0,0,0,0,0,0,0,0,0,4.058573188,3.605892273,5.756880197,12.57524616,0.118319038,7.125865907,7.654603905,7.130636904,5.537486772,4.000988365,6.335616947,1.069044466,4.849577115,1.30344379,2.314737276,2.55E-13,5.45E-48,2.24E-104,1.78E-182,2.73E-282,0,0,0,0,0,0,0,0,0,0,1.844297952,3.247352202,2.434167195,8.112505417,0.061372588,2.414747297,3.724840779,3.169048197,2.79081316,1.247880507,2.567043244,0.517478647,1.37737992,0.537957772,0.435481829,4.80E-14,1.02E-48,4.22E-105,3.35E-183,5.13E-283,0,0,0,0,0,0,0,0,0,0,6.028267087,2.144699149,0.079637514,0.730468501,0.259881513,0.557138771,0.483875746,0.095243792,8.252603751,13.57969401,22.86191679,0.595702751,1.136258309,4.189927758,1.199146209,0.011855524,0.775779015,0.222025896,0.270393465,0.152575613,0.002110778,5.400929491,5.088226282,10.54872191,0.663668522,0.425079856,4.763864827,1.495671318,0.033049469,0.757059994,0.237687877,0.348829921,0.236810225,0.016403258,6.292585614,7.332050332,13.86011923,0.635589991,0.602043404,5.962960455,2.111286817,0.077233913,0.731518643,0.259006525,0.545181246,0.469073549,0.089581299,8.151481185,13.21312551,22.33694457,0.597277965,1.103836095,5.075359957,1.656035085,0.044538253,0.749027438,0.244399556,0.395609549,0.289888047,0.029789796,6.775933295,8.704778732,15.85505489,0.623541157,0.715287392,6.242479701,2.254226344,0.087519905,0.727203564,0.262601003,0.597277968,0.533974189,0.115031023,8.58422595,14.8155931,24.63139585,0.590805345,1.24628318,5.966721745,2.11139916,0.077082081,0.731646012,0.258902098,0.545885374,0.469174271,0.089229434,8.155202985,13.22080964,22.3471028,0.597469019,1.104289079 +UMLKV0160,L,1-N-NONYLNAPHTHALENE,CCCCCCCCCC1=CC=CC2=CC=CC=C21,C19H26,Aromatic with multiple condensed rings,Aromatics,26438-26-6,3.677954084,UML,NONYLNAPHTHALENE,4.1431,0,-0.1501,0.02253001,79.078,50.776618,10,11,45,19,26,0,19,0,0,0,0,0,0,0,0,0,2767.435963,3200.066708,4066.76292,4143.641064,3611.96474,3023.817232,2496.200293,2249.999148,2051.210291,8854.998488,11453.49006,16128.42103,17457.71234,16129.33997,14351.61949,12225.34334,10728.51479,9659.548953,317.949868,335.868752,603.639456,820.226976,798.380048,767.818816,701.69314,603.619248,527.29742,64.54903553,84.73015206,126.3880131,143.2913517,135.2560902,123.4315588,107.0457302,93.12541116,83.2146565,7216.951718,6517.073362,12580.16356,18370.348,17920.90781,17445.52549,16209.99735,13933.63435,12084.84389,84.33333333,104.1388889,164.7777778,200.75,193.5,180.4166667,158,136.75,122.5,61.49857696,69.56666757,48.41384429,35.72104366,31.96428973,27.7414425,24.96200293,26.16278079,27.34947055,196.7777442,248.9889144,192.0050123,150.4975202,142.7375218,131.6662338,122.2534334,124.7501719,128.793986,7.065552622,7.301494609,7.186184,7.070922207,7.065310159,7.044209321,7.0169314,7.018828465,7.030632267,1.434423012,1.841959827,1.504619204,1.235270273,1.196956551,1.132399622,1.070457302,1.082853618,1.109528753,160.3767049,141.6755079,149.7638519,158.365069,158.5921046,160.0506926,162.0999735,162.0190041,161.1312519,1.874074074,2.263888889,1.961640212,1.730603448,1.712389381,1.655198777,1.58,1.590116279,1.633333333,0.090350436,-0.004978192,-0.035273182,0.006368011,-0.01101279,-0.016061225,0.004275605,0.00849322,-4.79E-05,1329.035743,40.41512202,-239.8003763,246.3768015,-98.16809224,-208.7118209,-50.51890252,37.42583784,-14.34856403,2471.398716,75.15364518,-445.9190397,458.1481831,-182.5477594,-388.1085434,-93.94205647,69.59494361,-26.68176752,0.260348978,0.007917045,-0.046975247,0.048263524,-0.019230455,-0.040885213,-0.009896306,0.007331465,-0.002810785,11.04830215,0.335971761,-1.993465583,2.048135545,-0.81607342,-1.735025767,-0.419964702,0.311121779,-0.119279915,60.01455262,1.825003939,-10.82853669,11.12550478,-4.43292377,-9.424687504,-2.281254924,1.690018441,-0.647930393,6.977777778,0.969012346,0.845185185,3.107283951,0.533580247,-1.507283951,-1.154320988,-0.581604938,-0.962962963,0.002007787,-1.08E-04,-4.20E-04,5.49E-05,-9.75E-05,-1.47E-04,4.28E-05,9.88E-05,-6.38E-07,29.53412763,0.878589609,-2.854766385,2.123937944,-0.868744179,-1.914787348,-0.505189025,0.435184161,-0.191314187,54.91997148,1.633774895,-5.308559996,3.949553303,-1.615466898,-3.560628838,-0.939420565,0.80924353,-0.3557569,0.005785533,1.72E-04,-5.59E-04,4.16E-04,-1.70E-04,-3.75E-04,-9.90E-05,8.52E-05,-3.75E-05,0.245517826,0.007303734,-0.023731733,0.017656341,-0.007221889,-0.015917668,-0.004199647,0.003617695,-0.001590399,1.333656725,0.039673999,-0.128911151,0.095909524,-0.039229414,-0.086465023,-0.022812549,0.019651377,-0.008639072,0.155061728,0.021065486,0.010061728,0.026786931,0.004721949,-0.013828293,-0.01154321,-0.006762848,-0.012839506,-0.053900912,-0.20914506,0.027341861,-0.048540156,-0.073389585,0.02129511,0.049187663,-3.18E-04,0.029748284,-0.096659919,0.071914701,-0.029414926,-0.064833042,-0.017105263,0.014734959,-0.006477733,0.029748284,-0.096659919,0.071914701,-0.029414926,-0.064833042,-0.017105263,0.014734959,-0.006477733,0.029748284,-0.096659919,0.071914701,-0.029414926,-0.064833042,-0.017105263,0.014734959,-0.006477733,0.029748284,-0.096659919,0.071914701,-0.029414926,-0.064833042,-0.017105263,0.014734959,-0.006477733,0.029748284,-0.096659919,0.071914701,-0.029414926,-0.064833042,-0.017105263,0.014734959,-0.006477733,0.135852257,0.064888535,0.17275011,0.03045206,-0.089179279,-0.074442675,-0.043613909,-0.082802548,1.190260493,1.177057639,0.853026528,0.969607077,1.035391173,0.934094955,0.87070861,0.921675866,1.132723112,1.16902834,0.915642887,1.010891763,1.029602942,0.96194332,0.93211562,0.96194332,1.132723112,1.16902834,0.915642887,1.010891763,1.029602942,0.96194332,0.93211562,0.96194332,1.132723112,1.16902834,0.915642887,1.010891763,1.029602942,0.96194332,0.93211562,0.96194332,1.132723112,1.16902834,0.915642887,1.010891763,1.029602942,0.96194332,0.93211562,0.96194332,1.132723112,1.16902834,0.915642887,1.010891763,1.029602942,0.96194332,0.93211562,0.96194332,1.00906951,0.899776312,0.724041841,0.899047404,1.025243967,0.953742038,0.925696193,1.019426752,169.8784842,84.93924211,136.115022,169.8784842,8.940972854,84.93924211,1.42E-14,0.523895924,0.02757347,-1.228278242,144.3521309,7.597480576,9.44728577,169.8784842,84.93924211,136.115022,169.8784842,8.940972854,84.93924211,1.42E-14,0.523895924,0.02757347,-1.228278242,144.3521309,7.597480576,9.44728577,169.8784842,84.93924211,136.115022,169.8784842,8.940972854,84.93924211,1.42E-14,0.523895924,0.02757347,-1.228278242,144.3521309,7.597480576,9.44728577,169.8784842,84.93924211,136.115022,169.8784842,8.940972854,84.93924211,1.42E-14,0.523895924,0.02757347,-1.228278242,144.3521309,7.597480576,9.44728577,169.8784842,84.93924211,136.115022,169.8784842,8.940972854,84.93924211,1.42E-14,0.523895924,0.02757347,-1.228278242,144.3521309,7.597480576,9.44728577,169.8784842,84.93924211,136.115022,169.8784842,8.940972854,84.93924211,1.42E-14,0.523895924,0.02757347,-1.228278242,144.3521309,7.597480576,9.44728577,208.8978692,103.5432359,169.9982354,208.7028554,10.98436081,103.5432359,-0.336842105,0.626784815,0.032988674,-0.88758879,130.7667121,6.882458534,9.259488333,0,11.85,12.15025325,-0.18550642,0.11725044,5.132058674,10.13235729,20,46,41,35,9,5,0,0,0,11,28.423382,4.000371467,3.50813599,3.369377909,3.244462602,3.030427416,2.813835424,2.53654408,2.487963579,2.121827105,1.918530338,1.777959585,1.613077406,1.513829508,1.314546978,1.14070597,1.007221763,4.007452853,3.535811362,3.392512901,3.27070751,3.060176174,2.844717122,2.580174573,2.508480888,2.101117154,1.858945891,1.713229251,1.556114647,1.444379419,1.232005118,1.061332712,0.901110543,4.040020665,3.657940685,3.50424117,3.380308919,3.200769927,2.980749068,2.773334186,2.605980087,2.046856683,1.682322714,1.528301914,1.401328382,1.230126465,1.008781069,0.810674176,0.627940178,4.01273813,3.556240663,3.41009681,3.289717301,3.082707106,2.867358292,2.612753061,2.523737147,2.08859735,1.820862303,1.672265893,1.521467741,1.398776423,1.180785536,1.009900965,0.83154516,4.056928693,3.717388999,3.56371566,3.431397171,3.272729139,3.050130704,2.863224454,2.662603237,2.031518893,1.626978871,1.474456567,1.353328434,1.163959879,0.945805488,0.725109455,0.579558441,4.07710229,3.517612298,3.461786016,3.309309247,3.106353656,2.913073456,2.657819279,2.607433383,2.034403452,1.85896069,1.678277549,1.451949918,1.313718847,1.12300683,0.923275825,0.746332942,0,0,0,7,3,1,8,0,0,0,0,0,0.151374715,0.251375655,0,0,0,0.051834039,0.07471452,0.469416097,0,0.136082763,0,0.25756419,0,0.053519044,0,1.380682095,2.428869017,3.348435163,0.644752887,0.970176505,1.14972168,13.33865253,9.4150149,7.30937011,5.901668418,4.793712199,3.802123881,2.388473233,1.66979068,0.702034343,0.470750745,0.304557088,0.196722281,0.129559789,0.086411906,0.059711831,0.040726602,12.19830613,7.882027377,5.509592623,3.929603602,2.783049718,1.919519806,1.139559617,0.727030954,0.642016112,0.394101369,0.229566359,0.130986787,0.07521756,0.04362545,0.02848899,0.017732462,26.04376145,43.5418791,41.43137255,41.88,29.38120838,339.8234838,0.578750254,0.967597313,0.920697168,0.930666667,0.652915742,7.551632974,6.1329,85.645,167.8616228,246.2254381,335.7232456,17.6696445,167.8616228,0.257066747,0.013529829,-2.580997075,118.8641219,6.256006414,9.078163914,409,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,9,0,0,7,0,0,0,0,0,0,0,0,1,0,8,0,0,7,0,0,0,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.77683437,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.832500991,0,2.382915373,0,0,2.832500991,0,0,0,0,0,0,0,0,2.278286835,0,10.94487879,0,0,15.43832792,0,0,0,0,1.520053881,2.818452574,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.377727588,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.372991952,0,0.217553945,0,0,0.372991952,0,0,0,0,0,0,0,0,2.278286835,0,1.231280864,0,0,2.124845047,0,0,0,0,1.520053881,1.377727588,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.291087569,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421903818,0,0.401875,0,0,0.421903818,0,0,0,0,0,0,0,0,2.278286835,0,1.421396449,0,0,2.291087569,0,0,0,0,1.520053881,1.440724986,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,33,1.736842105,0.421903818,2.291087569,0.112558067,1.231280864,12.12108547,0.288939079,0.291087569,3.433229502,0.288939079,0.291087569,3.433229502,9.5,0.5,0,0,0.46889,0.7,0.43818,0.43818,0.7,0.03071,0.03071,0,0,0.71429,0,0,0.05263,0.15789,0,20,1.05263,10,0.52632,10,0.52632,0,0,0,0,17.2149,0.90605,26.98725,9.77235,0.51433,6.21067,0.32688,9.415,3.20433,0.16865,-0.001,-5.00E-05,0.171,0.009,0.222222222,58,0,0,0,0,0,0,0.473684211,0.982474087,2.343740294,3.251214066,4.108767964,4.56131303,4.610708997,44.21133391,105.4683132,146.304633,184.8945584,205.2590864,207.4819049,0.178896644,0.426766749,0.592006743,0.748156932,0.830559913,0.839554321,4.509379009,3.148112803,2.24063903,1.383085132,0.930540066,0.881144099,0.172773058,0.412158635,0.571742507,0.722547715,0.802130064,0.810816595,6.763395432,17.76144306,23.60626564,27.49082003,28.9239885,28.18108556,71.76307236,52.57200672,37.2416303,26.75260223,23.09738896,24.60605628,15.39,9.03125,5.12,9,10,9,3.55,2.3535,0,2.362862193,0.301006719,0,25.27479655,13.81752934,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.193,0.184,0.895,1.4,9.838,24,30,37,44,40,41,41,41,31,368,3.277144733,3.772760938,4.363098625,4.953182719,5.509135268,5.675040006,6.002419942,6.291742736,6.577160269,5.917564636,7.963134493,7.80452297,0.461538462,2,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,3,0,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0.4,9,0.45,1,7,13,0.857142857,1.5,1.333333333,0.6875,0.475555556,0.180555556,0.120816327,0.086805556,0.065507685,0.05125,0.041220284,0.075,0.055555556,0.028645833,0.023777778,0.011284722,0.009293564,0.007233796,0.005955244,0.005125,0.004580032,0.24384876,95.17660751,148.5187442,190.353215,10.01859026,95.17660751,0.35941788,0.018916731,-1.944212159,165.4042234,8.705485443,9.705945402,0,277.4849557,5.247927513,4.48863637,5.283203729,6.098074282,6.920671504,7.754052639,8.591001119,9.435162514,10.28086178,11.13194319,108.9836071,3.713572067,0,4.919980926,0,6.343880434,0,7.887959337,0,9.50308461,9.730799445,254.2034508,5.648965574,38.56536381,2.02975599,0,0,0,868,24,8.063,88,1.251663204,2.186839719,2.96266039,3.788464598,4.883919137,5.763357968,6.796658662,7.808572671,8.874053264,9.88941336,97.67315645,115.6287905,119.500249,141.3210102,149.277143,161.0797691,196.8502042,235.0789192,271.2156171,311.0226845,336.4147318,445.4465984,482.448312,603.2900904,683.2028825,755.2447156,902.5557339,1068.383408,1226.358548,1393.219712,9.172927829,15.76369027,21.02167178,26.92762693,34.49745746,40.56188386,47.82976597,55.04621798,62.58732721,69.81462942,2.439878442,3.439369267,3.875391864,4.930824151,5.777977476,6.483122529,7.694434295,9.05017134,10.3613151,11.71335599,175.2184743,324.1471797,464.0841344,588.9628053,774.8612844,925.4649755,1092.166613,1247.55991,1415.593308,1572.720855,2.915040815,4.408298376,5.309671532,6.826504266,8.253826285,9.301270958,11.01890686,13.01989856,15.13248078,17.36193642,0.501768922,0.7160456,0.81389207,1.038003879,1.224066518,1.377530824,1.633289475,1.918537869,2.195414058,2.479587701,478.4335379,448.5681723,18.15074805,151.3309108,-141.8843469,-8.210627406,327.1026271,590.4525192,26.36137546,0.75970236,0.712279287,0.028821487,0.24029764,-0.225297486,-0.013037617,301.3004333,282.4922877,11.43069584,95.30282763,-89.35371753,-5.170761242,0.066522691,0.06962233,0.467974582,0.680943326,629.7644487,0,1,0,1410.293309,37.5538721,11.2142392,1663.642434,40.78777309,11.84913542,2669.319476,51.66545728,13.87182235,1.973714386,1.973714386,5342.626031,4974.1103,547.6287111,1.074086763,9.755927551,9.082997656,7.768823299,8.108225633,15.22646446,0.877903397,7.823167978,11.19400301,8.104402353,46.87811558,14.92520881,9.461517481,12.14084387,15.88550092,31.6247617,8.867156154,16.9433766,26.81078901,10.20057661,24.69170687,8.237607981,9.470270686,10.16958953,12.26249419,14.46732753,8.909471995,5.64131354,8.612730532,4.25120784,5.084505679,3.668069382,5.180392785,1.403268356,2.687192816,0.580223172,0.001161234,0.65667737,11.19360429,0.592393357,15.37410948,0.837471565,1.513139332,2.045876867,3.105279623,10.58693299,1.891787467,2.487950399,3.507822364,1.562382407,5.760062925,0.794069268,1.555047066,0.896678406,2.426034069,2.132742958,2.213936033,1.214803123,1.335763089,1.311702128,0.144600303,1.783151215,1.395745525,0.115167436,0.094338855,0.004087193,8.18E-06,2.119510887,11.19363179,1.970002339,17.92490047,1.792303725,2.784044233,4.031693078,4.976686825,13.61039277,2.903831814,4.566267515,7.404422832,2.64347378,8.760982994,1.782949474,2.818630355,2.36392264,3.875643385,4.013045909,2.965989099,1.952230075,2.563495506,1.837176685,0.638886587,2.136572815,2.098174969,0.373481438,0.390974655,0.042586725,8.52E-05,7.384440558,11.19395954,7.589422575,43.5769011,13.38326094,8.850564316,11.49638191,14.84226963,29.88727057,8.294455979,15.74981952,25.07994732,9.430431106,23.22727153,7.594244873,8.861151208,9.451361432,11.46283274,13.48670486,8.282133779,5.31155863,8.076091136,4.044883189,4.600233035,3.541592391,4.92390113,1.322779157,2.446166561,0.516968836,0.001034638,3.123700237,11.19366667,2.96193377,20.82794578,3.018084032,3.760856703,5.417097908,6.480271336,16.06323279,3.720833679,6.251983918,10.33467815,3.588153045,11.0773914,2.619302571,3.790581282,3.497495784,5.036502373,5.493086659,3.664751835,2.50777449,3.482797468,2.220031328,1.130831816,2.388488303,2.601184233,0.552176149,0.663675813,0.092502499,1.85E-04,9.44757814,11.19418563,10.07370256,60.65946778,21.40587656,11.86480253,14.55703445,20.0442757,38.56836265,11.15300799,21.71298048,33.56477064,13.32608114,30.46067149,10.83278286,11.86698898,12.99979988,15.44750482,18.35417957,11.47911245,6.928973191,10.70315714,5.045076552,7.084032203,4.148941406,6.158222496,1.703137307,3.67304275,0.8461989,0.00169355,4.447168661,9.47716493,4.578576381,25.08053666,5.414635886,5.265887918,7.418931568,8.666328683,19.04746964,4.9600572,9.18069052,14.0502978,5.180556381,13.70979397,3.811614991,5.388979488,5.392593419,7.077756748,7.913385808,4.620335306,3.777162852,4.93088881,3.212812305,2.082085229,3.186116981,3.864492231,0.919139039,1.215965963,0.192344847,3.85E-04,21.10246979,2.312100441,0.74964945,0.873294072,0.09568281,0.56029633,0.330271263,0.431685001,24.16421969,66.34374943,127.0841377,0.809941107,1.322252595,20.14557737,1.802265371,0.352330933,0.903382084,0.080818446,0.511057138,0.203320584,0.094874059,22.30017367,44.04058038,79.13307159,0.855073126,0.809251782,20.48245369,1.982610917,0.49254555,0.892185796,0.086359639,0.528106923,0.245018391,0.185810616,22.95761015,51.67380389,94.63306639,0.838278694,0.958935931,21.07389553,2.296983281,0.7378266,0.874119749,0.095276094,0.558789694,0.326110658,0.418130004,24.10870541,65.65004175,125.4742661,0.811179624,1.303030356,20.64942396,2.071649027,0.561902901,0.886889376,0.088976986,0.536672103,0.266918304,0.242044368,23.28297589,55.54539588,102.8656558,0.830334064,1.045634775,21.19390409,2.360430323,0.787464782,0.87067944,0.096970249,0.565132459,0.343729782,0.476496149,24.3417992,68.57494269,132.311033,0.80601916,1.38535839,21.12952979,2.308579392,0.738368044,0.873970579,0.095488659,0.561746799,0.329489646,0.41842622,24.17647723,66.08514787,126.2786254,0.810955868,1.309662665 +UMLKV0161,L,1-N-DECYLNAPHTHALENE,CCCCCCCCCCC1=CC=CC2=CC=CC=C21,C20H28,Aromatic with multiple condensed rings,Aromatics,73467-00-2,3.727269915,UML,DECYLNAPHTHALENE,4.6966,0,-0.4381,0.19193161,81.9896,53.870204,10,11,48,20,28,0,20,0,0,0,0,0,0,0,0,0,2913.732212,3368.545005,4260.471457,4340.397793,3808.721469,3220.573961,2692.957022,2446.755877,2247.96702,9340.682879,12106.4802,17041.96814,18464.51069,17136.13831,15358.41783,13232.14169,11735.31313,10666.3473,338.927312,357.644532,646.368964,883.111876,861.264948,830.703716,764.57804,666.504148,590.18232,68.22716134,89.74614068,134.0757033,152.3128806,144.2776191,132.4530877,116.067259,102.14694,92.23618536,7713.581378,6950.112814,13504.36576,19849.30316,19399.86297,18924.48065,17688.9525,15412.58951,13563.79905,88.58333333,109.3888889,174.0277778,213,205.75,192.6666667,170.25,149,134.75,60.70275442,68.74581643,47.33857174,34.72318234,31.21902843,27.29299967,24.70602772,25.75532502,26.76151214,194.59756,247.0710244,189.3552016,147.7160855,140.4601501,130.1560833,121.3957953,123.5296119,126.980325,7.060985667,7.298868,7.181877378,7.064895008,7.059548754,7.039862,7.014477431,7.015833137,7.02598,1.421399194,1.831553891,1.489730037,1.218503045,1.182603435,1.122483794,1.064837239,1.075230948,1.098049826,160.6996121,141.839037,150.0485084,158.7944253,159.0152702,160.3769547,162.2839679,162.2377843,161.4737982,1.845486111,2.232426304,1.933641975,1.704,1.68647541,1.632768362,1.561926606,1.568421053,1.604166667,0.094572989,-0.004978192,-0.037384458,0.006368016,-0.011012656,-0.01605917,0.004294925,0.008584097,-5.21E-05,1412.436772,41.19607251,-277.4429373,256.424533,-89.1180344,-203.458154,-49.60343424,39.51460016,-10.08883408,2626.48649,76.60585596,-515.9169891,476.8323687,-165.7187904,-378.3391254,-92.23970412,73.47908633,-18.76061779,0.276686667,0.008070028,-0.054349167,0.050231806,-0.017457611,-0.039856056,-0.009716972,0.007740639,-0.001976333,11.74161666,0.342463819,-2.306388986,2.131662548,-0.740840099,-1.691351923,-0.412354394,0.328485704,-0.08386869,63.78064803,1.860268901,-12.52834158,11.57922479,-4.024255173,-9.18745049,-2.239915615,1.784339558,-0.455576057,7.203125,1.058268229,0.877821181,3.269639757,0.699001736,-1.370876736,-1.06890191,-0.48187934,-0.829427083,0.001970271,-1.02E-04,-4.15E-04,5.09E-05,-9.03E-05,-1.36E-04,3.94E-05,9.04E-05,-6.21E-07,29.42576608,0.840736174,-3.082699303,2.051396264,-0.730475692,-1.724221644,-0.455077378,0.41594316,-0.120105168,54.71846854,1.563384816,-5.73241099,3.81465895,-1.358350741,-3.206263774,-0.846235818,0.773464067,-0.223340688,0.005764306,1.65E-04,-6.04E-04,4.02E-04,-1.43E-04,-3.38E-04,-8.91E-05,8.15E-05,-2.35E-05,0.244617014,0.006989058,-0.025626544,0.0170533,-0.00607246,-0.014333491,-0.003783068,0.003457744,-9.98E-04,1.328763501,0.037964671,-0.139203795,0.092633798,-0.032985698,-0.07785975,-0.020549685,0.018782522,-0.005423524,0.150065104,0.021597311,0.009753569,0.026157118,0.005729522,-0.011617599,-0.00980644,-0.005072414,-0.009874132,-0.051564371,-0.210825288,0.025856413,-0.04581486,-0.069074096,0.019998766,0.045861171,-3.15E-04,0.028571429,-0.104761905,0.069714286,-0.024824356,-0.058595642,-0.015465269,0.014135338,-0.004081633,0.028571429,-0.104761905,0.069714286,-0.024824356,-0.058595642,-0.015465269,0.014135338,-0.004081633,0.028571429,-0.104761905,0.069714286,-0.024824356,-0.058595642,-0.015465269,0.014135338,-0.004081633,0.028571429,-0.104761905,0.069714286,-0.024824356,-0.058595642,-0.015465269,0.014135338,-0.004081633,0.028571429,-0.104761905,0.069714286,-0.024824356,-0.058595642,-0.015465269,0.014135338,-0.004081633,0.143919607,0.064995581,0.174305134,0.038180245,-0.077417062,-0.065347901,-0.033801423,-0.065798988,1.204520863,1.191045554,0.858191486,0.968080945,1.029359398,0.932194566,0.870157263,0.914551943,1.151020408,1.186190476,0.918514286,1.007142857,1.024213075,0.960943644,0.932932331,0.959183673,1.151020408,1.186190476,0.918514286,1.007142857,1.024213075,0.960943644,0.932932331,0.959183673,1.151020408,1.186190476,0.918514286,1.007142857,1.024213075,0.960943644,0.932932331,0.959183673,1.151020408,1.186190476,0.918514286,1.007142857,1.024213075,0.960943644,0.932932331,0.959183673,1.151020408,1.186190476,0.918514286,1.007142857,1.024213075,0.960943644,0.932932331,0.959183673,1.013511985,0.905235532,0.721369005,0.888414747,1.007618744,0.935341997,0.901472771,0.980683814,194.3482462,97.17412309,156.4646608,194.3482462,9.717412309,97.17412309,-1.42E-13,0.510689761,0.025534488,-1.343985988,149.9368028,7.496840142,10.02042778,194.3482462,97.17412309,156.4646608,194.3482462,9.717412309,97.17412309,-1.42E-13,0.510689761,0.025534488,-1.343985988,149.9368028,7.496840142,10.02042778,194.3482462,97.17412309,156.4646608,194.3482462,9.717412309,97.17412309,-1.42E-13,0.510689761,0.025534488,-1.343985988,149.9368028,7.496840142,10.02042778,194.3482462,97.17412309,156.4646608,194.3482462,9.717412309,97.17412309,-1.42E-13,0.510689761,0.025534488,-1.343985988,149.9368028,7.496840142,10.02042778,194.3482462,97.17412309,156.4646608,194.3482462,9.717412309,97.17412309,-1.42E-13,0.510689761,0.025534488,-1.343985988,149.9368028,7.496840142,10.02042778,194.3482462,97.17412309,156.4646608,194.3482462,9.717412309,97.17412309,-1.42E-13,0.510689761,0.025534488,-1.343985988,149.9368028,7.496840142,10.02042778,238.0492458,118.0973807,194.3635988,237.8362458,11.89181229,118.0973807,-0.355,0.607107583,0.030355379,-0.998098533,170.6850985,8.534254927,10.27964066,0,11.85,12.15027013,-0.18550647,0.117264894,5.129525506,10.13358251,21,49,44,38,10,5,0,0,0,11,30.609796,4.000371542,3.517767264,3.388536917,3.27457851,3.086624351,2.881340649,2.642730788,2.491701294,2.121829254,1.926811024,1.805022208,1.645100025,1.546636249,1.385559603,1.197561601,1.073485665,4.007452942,3.545496253,3.413232423,3.298983529,3.117398482,2.910316222,2.683332905,2.511450752,2.101118276,1.867551039,1.741018119,1.583374983,1.484779996,1.303874388,1.11748201,0.979704674,4.040020868,3.667468172,3.530633903,3.402374204,3.25787613,3.045341819,2.85546656,2.634694604,2.046856926,1.691767357,1.555359249,1.422879682,1.286270833,1.074358878,0.88818476,0.676354612,4.012738231,3.56593885,3.431959494,3.316664972,3.140453024,2.931950717,2.713001338,2.526698144,2.088598122,1.829670416,1.700343561,1.546147112,1.443746903,1.252270209,1.067829831,0.916983755,4.056929011,3.726695195,3.59143595,3.452749007,3.326954376,3.117430668,2.934379257,2.738103235,2.031519056,1.636591985,1.499753091,1.376458214,1.221840877,1.009593153,0.813115185,0.589768853,4.084259944,3.52559131,3.477021039,3.345522845,3.157501582,2.977700027,2.754319155,2.619966564,2.027649886,1.86554755,1.709652127,1.501364769,1.339860844,1.195843749,0.989243921,0.826937679,0,0,0,7,3,1,9,0,0,0,0,0,0.151374715,0.251375655,0,0,0,0.051834039,0.07471452,0.469416097,0,0.136082763,0,0.25756419,0,0.053519044,0,1.380682095,2.428869017,3.348435163,0.644752887,0.970176505,1.14972168,14.04575931,9.9150149,7.6629235,6.151668418,4.970488894,3.927123881,2.47686158,1.73229068,0.702287965,0.472143567,0.30651694,0.198440917,0.130802339,0.08726942,0.060411258,0.041245016,12.90541292,8.382027377,5.863146014,4.179603602,2.959826413,2.044519806,1.227947965,0.789530954,0.645270646,0.399144161,0.234525841,0.134825923,0.077890169,0.045433773,0.02994995,0.018798356,27.58558925,46.42971595,44.15686275,44.64,31.17976287,362.8517389,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,6.523,90.262,182.1305905,269.0863135,364.261181,18.21305905,182.1305905,0.268193321,0.013409666,-2.632094425,161.5696149,8.078480746,10.1698722,463,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,10,0,0,7,0,0,0,0,0,0,0,0,1,0,9,0,0,7,0,0,0,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.80490024,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.822868658,0,2.597829222,0,0,2.822868658,0,0,0,0,0,0,0,0,2.281925888,0,12.41317387,0,0,15.46083135,0,0,0,0,1.52229906,2.821769826,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.379227424,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.37125584,0,0.214913849,0,0,0.37125584,0,0,0,0,0,0,0,0,2.281925888,0,1.232453704,0,0,2.127396068,0,0,0,0,1.52229906,1.379227424,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.295219801,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.420792707,0,0.401875,0,0,0.420792707,0,0,0,0,0,0,0,0,2.281925888,0,1.432646449,0,0,2.295219801,0,0,0,0,1.52229906,1.442542403,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,34.5,1.725,0.420792707,2.295219801,0.110491952,1.232453704,12.8386613,0.287439243,0.295219801,3.48551448,0.287439243,0.295219801,3.48551448,10,0.5,0,0,0.46667,0.7,0.43793,0.43793,0.7,0.02874,0.02874,0,0,0.71429,0,0,0.05,0.15,0,20.5,1.025,10.5,0.525,10,0.5,-0.5,-0.025,0,0,18.87836,0.94392,28.80175,9.9234,0.49617,6.71067,0.33553,9.915,3.20433,0.16022,-0.001,-5.00E-05,0.171,0.00855,0.208333333,61,0,0,0,0,0,0,0.5,0.979868757,2.302845109,3.180255793,4.016541407,4.494034835,4.633889908,47.03370032,110.5365652,152.6522781,192.7939875,215.7136721,222.4267156,0.175447688,0.412329556,0.569431897,0.719170703,0.804666967,0.82970833,4.605093744,3.282117391,2.404706708,1.568421094,1.090927666,0.951072593,0.16987473,0.399232233,0.551344342,0.696326813,0.779107355,0.803353299,6.772325919,17.44604401,23.05510866,26.87946265,28.56184236,28.4176565,75.85264408,55.87228967,40.50565045,29.64492526,24.90256766,25.09518665,16.37188209,9.8496,5.731529657,10,10,10,3.66,2.4944,0,2.377676217,0.273482754,0,27.39433176,13.74355025,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.193,0.184,0.895,1.4,10.337,25,31,38,45,41,42,42,42,32,379,3.314186005,3.795489189,4.375757022,4.960218808,5.513176698,5.678464667,6.004889651,6.293592554,6.578551097,5.920252768,7.966955847,7.607030219,0.5,2,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,3,0,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0.428571429,10,0.476190476,1,7,14,1,1.5,1.333333333,0.6875,0.475555556,0.180555556,0.120816327,0.086805556,0.065507685,0.05125,0.041220284,0.071428571,0.053333333,0.0275,0.022645503,0.010620915,0.008629738,0.00667735,0.005458974,0.004659091,0.004122028,0.23355772,107.6322946,169.0779249,215.2645891,10.76322946,107.6322946,0.357194792,0.01785974,-2.058948023,158.7958475,7.939792375,10.1352388,0,294.7809403,5.321928095,4.532599493,5.323009979,6.133398043,6.951772164,7.78113851,8.614501374,9.455401959,10.29826239,11.14682048,111.2369044,3.761200116,0,4.96284463,0,6.378426184,0,7.913886715,0,9.521714557,9.751442987,268.2191009,5.587897935,40.56547584,2.028273792,0,0,0,1034,25,8.632,92,1.251540967,2.185112864,2.956551605,3.776460725,4.889882439,5.781680362,6.844928407,7.873899498,8.976000636,10.02392488,96.7271394,113.0926033,116.4669964,138.5116873,147.8177542,160.720525,195.6213536,232.4664064,267.2195754,304.6849708,334.1938288,439.123296,473.4814927,594.4328593,678.2032593,754.9633954,901.2827149,1063.817715,1218.87009,1380.645772,9.169035405,15.74178663,20.96020891,26.82575464,34.52174043,40.68397472,48.15131285,55.47441816,63.25234418,70.68736959,2.427768422,3.403288046,3.81870662,4.872196512,5.745937492,6.486771657,7.701638686,9.042171034,10.34480051,11.67619005,175.3879268,324.5110827,464.4308673,588.2988431,777.1582962,928.9119847,1101.238321,1260.346443,1435.814642,1599.71836,2.874644531,4.341132414,5.216503174,6.709080003,8.15571947,9.23171238,10.9411419,12.8864473,14.92515313,17.07129619,0.499434651,0.709017819,0.802616916,1.026218318,1.217729795,1.37854623,1.635520367,1.918044638,2.193784133,2.474445976,520.9299926,516.0507943,19.4212099,162.8725659,-161.3470489,-8.797136739,358.0574267,677.3978432,28.21834664,0.761813459,0.754678069,0.02840178,0.238186541,-0.235955609,-0.012865025,356.2132618,352.8768535,13.28027302,111.3726773,-110.3295249,-6.01550461,0.062959832,0.065893459,0.474944951,0.652762029,683.8025585,0,1,0,1472.374879,38.37153735,11.37643351,1745.098075,41.77437103,12.03944905,2788.983826,52.81083058,14.07608882,2.058248396,2.058248396,6621.76099,6254.533541,574.5925951,1.058713803,11.52427136,10.8851621,8.209117196,8.322576985,16.38014186,0.968157446,8.380969085,12.14252033,8.393171246,51.8559938,16.89748516,9.460932298,12.93851215,16.02758383,35.99530411,8.902071471,16.95084984,31.36921731,10.31282893,30.65435351,8.237821687,9.475978298,13.21086665,12.28591293,21.51824949,8.63634654,6.465132216,6.725086273,8.993183174,6.972185726,7.499949753,7.135160184,7.289250136,3.860425844,3.903065977,2.267833772,0.703489752,12.14207949,0.614418363,16.38621232,0.850367715,1.511184573,2.169159953,3.108736172,11.66759336,1.896910619,2.4890944,3.823985417,1.566614881,6.911458,0.794664518,1.555794174,0.997465487,2.428737431,3.245996889,2.210641909,1.239292067,1.242712837,1.421488313,0.7671308,2.162597721,1.468940313,1.856752116,1.108414575,0.226790529,0.138884596,2.270626962,12.14210988,2.042557555,19.20549015,1.936421685,2.782717129,4.292897946,4.988534495,15.10772491,2.911092783,4.566467517,8.451105139,2.655709635,10.64908837,1.783203646,2.819857279,2.789116969,3.88020464,6.02112588,2.944865085,2.052755227,2.218573399,2.310628648,1.567875777,3.165445571,2.391123402,2.607639712,1.611391556,0.795015692,0.482231013,7.910959301,12.14247226,7.860475573,48.1206051,15.14051786,8.850018434,12.2528587,14.96882404,33.96624657,8.326152397,15.75611429,29.33076094,9.531101596,28.80857347,7.594388826,8.866366679,12.2150516,11.48414467,20.06191976,8.038704468,6.055621316,6.338796793,8.297435446,6.427518296,7.14255778,6.705350643,6.830027582,3.671159801,3.613557414,2.105231301,3.346417527,12.14214844,3.070339699,22.45348107,3.33207299,3.759857108,5.772902957,6.503789595,17.92227123,3.730733069,6.252199789,11.92304729,3.610053449,13.54408035,2.619400753,3.792295762,4.227279055,5.043042881,8.209613543,3.620328329,2.686365043,2.930992721,3.115895551,2.255879348,3.8795883,3.09377531,3.229398434,1.97411868,1.239177772,0.745011928,10.12120376,12.14272225,10.42963916,67.46220925,24.28221519,11.86393202,15.5071097,20.25184923,44.12081663,11.20142541,21.72571518,39.31655153,13.48685759,37.93382455,10.83336055,11.87473275,17.17964245,15.4796763,27.2938336,11.08107374,8.083088007,8.212865819,11.8328854,9.175960287,8.858004308,8.820709537,9.133344892,4.584798164,5.048163572,2.906517391,4.789622942,10.32452756,4.7821251,27.5153181,6.152009488,5.337729449,7.940689291,8.83391198,21.43621428,5.043528304,9.308308219,16.37959245,5.293065789,16.81922368,3.864202727,5.465102004,6.659150509,7.186255629,11.33020674,4.591941373,3.867082873,3.909105854,4.662771232,3.613932493,4.977419915,4.320011247,4.791892622,2.861678599,2.17520765,1.299419802,24.64397607,2.255774295,0.804677147,0.889532045,0.081422881,0.56894491,0.326254329,0.452772236,27.70442751,77.23686211,149.6742962,0.834298068,1.347971474,23.97576271,1.756125366,0.386541861,0.917963399,0.067237019,0.539148271,0.201708034,0.10282791,26.11842993,52.05089694,94.4444574,0.876945098,0.843684214,24.21186815,1.934422652,0.535452241,0.907432026,0.072499861,0.549535517,0.243241296,0.198784815,26.68174304,60.83607621,112.596253,0.861148039,0.991561628,24.62413149,2.241155987,0.792402121,0.890317733,0.081031931,0.568042125,0.322264922,0.438946888,27.6576896,76.4746305,147.8622354,0.835476599,1.329253936,24.32854638,2.021824906,0.608558401,0.90242998,0.074996483,0.554725341,0.264816417,0.257515364,26.95892968,65.22380079,122.1165382,0.85364497,1.077057122,24.70743105,2.302427945,0.843872188,0.887042059,0.082661383,0.571839069,0.339114728,0.498343493,27.85373119,79.67994851,155.5391041,0.830563088,1.40929729,24.69041506,2.252885294,0.793778162,0.89015918,0.081222876,0.57111416,0.3257227,0.440341983,27.73707852,77.01167641,148.9024056,0.83523877,1.337178842 +UMLKV0162,L,"1,2,3,4-TETRAHYDRONAPHTHALENE",C1CCC2=CC=CC=C2C1,C10H12,Aromatic with attached saturated rings,Aromatics,119-64-2,3.0753945,PubChem,,1.6628,0,0.561,0.314721,44.0696,25.601516,6,6,22,10,12,0,10,0,0,0,0,0,0,0,0,0,1454.833978,1732.190387,2314.332062,2109.623052,1243.022262,523.728914,84.835296,4.064256,0,4608.173951,6035.525316,8807.250395,8990.557479,6418.372324,3440.716553,1061.424631,124.3349777,0,156.026728,168.35726,303.264248,404.792112,352.830552,257.412296,123.32736,26.873856,0,33.22435486,44.04043172,67.54811506,73.54232287,56.36430997,33.18001696,12.01662072,1.778451619,0,3486.955385,3232.20849,6189.732738,8888.973485,7943.289696,6153.394655,3137.747111,739.6706081,0,42.55555556,53.19444444,85.83333333,101.9166667,85,56,23,4,0,66.12881718,75.31262552,55.10314433,37.01093074,24.86044524,14.15483551,4.713072,1.016064,0,209.4624523,262.4141442,209.696438,157.7290786,128.3674465,92.99233928,58.96803508,31.08374443,0,7.092124,7.31988087,7.220577333,7.101616,7.05661104,6.957089081,6.85152,6.718464,0,1.510197948,1.914801379,1.608288454,1.290216191,1.127286199,0.896757215,0.66759004,0.444612905,0,158.4979721,140.5308039,147.374589,155.9469032,158.8657939,166.3079637,174.3192839,184.917652,0,1.934343434,2.312801932,2.043650794,1.788011696,1.7,1.513513514,1.277777778,1,0,0.046659955,0.002027332,-0.013973144,-0.008576438,-0.017766071,-8.44E-05,0.008409237,0.006633513,0,660.3600491,36.01963904,-116.0632814,-93.05073419,-334.1822067,-43.02345774,120.0654635,100.0545529,0,1227.96771,66.98005689,-215.8246278,-173.0318136,-621.4260834,-80.00395684,223.2668563,186.0557136,0,0.12936,0.007056,-0.022736,-0.018228,-0.065464,-0.008428,0.02352,0.0196,0,5.489587008,0.299432019,-0.964836504,-0.773532715,-2.778063728,-0.357654911,0.998106729,0.831755607,0,29.81952376,1.626519478,-5.241007205,-4.201841984,-15.09048626,-1.942787154,5.421731592,4.51810966,0,3.444444444,0.75,0.055555556,-0.305555556,-2.111111111,-0.888888889,0.333333333,0.444444444,0,0.002120907,8.81E-05,-3.33E-04,-1.50E-04,-3.55E-04,-2.28E-06,4.67E-04,0.001658378,0,30.01636587,1.566071263,-2.763411461,-1.632469021,-6.683644133,-1.162796155,6.670303526,25.01363822,0,55.81671408,2.912176387,-5.138681613,-3.035645853,-12.42852167,-2.162269104,12.40371424,46.5139284,0,0.00588,3.07E-04,-5.41E-04,-3.20E-04,-0.00130928,-2.28E-04,0.001306667,0.0049,0,0.249526682,0.013018783,-0.022972298,-0.013570749,-0.055561275,-0.009666349,0.055450374,0.207938902,0,1.355432898,0.070718238,-0.124785886,-0.073716526,-0.301809725,-0.052507761,0.301207311,1.129527415,0,0.156565657,0.032608696,0.001322751,-0.005360624,-0.042222222,-0.024024024,0.018518519,0.111111111,0,0.04155999,-0.156863974,-0.070943151,-0.167532763,-0.001075612,0.220273614,0.781919372,0,0.052173913,-0.092063492,-0.054385965,-0.222666667,-0.038738739,0.222222222,0.833333333,0,0.052173913,-0.092063492,-0.054385965,-0.222666667,-0.038738739,0.222222222,0.833333333,0,0.052173913,-0.092063492,-0.054385965,-0.222666667,-0.038738739,0.222222222,0.833333333,0,0.052173913,-0.092063492,-0.054385965,-0.222666667,-0.038738739,0.222222222,0.833333333,0,0.052173913,-0.092063492,-0.054385965,-0.222666667,-0.038738739,0.222222222,0.833333333,0,0.208274895,0.008448541,-0.034238823,-0.269677419,-0.153443766,0.11827957,0.709677419,0,0.957956913,1.070764968,0.940200295,1.09920784,1.048056862,0.864859964,0.274367579,0,1.004347826,1.1,1.013157895,1.155,0.936486486,0.641666667,0,0,1.004347826,1.1,1.013157895,1.155,0.936486486,0.641666667,0,0,1.004347826,1.1,1.013157895,1.155,0.936486486,0.641666667,0,0,1.004347826,1.1,1.013157895,1.155,0.936486486,0.641666667,0,0,1.004347826,1.1,1.013157895,1.155,0.936486486,0.641666667,0,0,0.832047686,0.923387097,0.941850594,1.26,1.153443766,0.762096774,0,0,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,43.80845579,20.57579644,31.08689565,43.80409215,4.380409215,20.57579645,-0.168888889,0.396237976,0.039623798,-0.925740298,48.21065101,4.821065101,3.875579972,0,11.9,12.10017173,-0.136149425,0.064701075,6.9134375,8.936746114,11,23,20,17,5,3,0,0,0,6,13.118484,3.859257449,3.26603328,2.85748856,2.539816796,2.350475535,1.497315508,1.237267249,0.751328949,2.053489417,1.666412717,1.350290776,1.017671733,0.96709204,0.560658892,0.558549147,0.239945645,3.870555062,3.292828811,2.886123794,2.56564159,2.392125201,1.582151547,1.349619342,0.880447418,2.02070718,1.608211373,1.271973869,0.935409257,0.878464308,0.431838524,0.405755516,0.07238178,3.922762979,3.411592901,3.021737613,2.689753709,2.57664947,1.936158912,1.80215351,1.398225657,1.933750742,1.4354006,1.050516214,0.71673229,0.613469192,0.002051678,0.11598811,0.509133616,3.87900294,3.312633685,2.907765452,2.585208322,2.422938245,1.643877923,1.430332416,0.973259429,2.000738782,1.570956036,1.222656736,0.884900704,0.821618538,0.345688827,0.302643471,0.041356809,3.949942256,3.469681049,3.09278911,2.756903945,2.66634246,2.093887079,1.997147002,1.618269983,1.909106109,1.381402153,0.985972155,0.656595211,0.529849954,0.149920177,0.305761186,0.72446841,3.926253365,3.31720277,2.939257165,2.610550116,2.488349721,1.719552514,1.507173628,1.139579527,1.987536625,1.51610254,1.209776418,0.827598908,0.688123653,0.22732514,0.190703702,0.214836949,0,0,0,4,2,0,4,0,0,0,0,0,0.166666667,0.23570226,0,0,0,0.090277778,0.111452494,0.333333333,0,0.083333333,0,0.204124145,0,0.041666667,0,0.942809042,1.5,1.885618083,0.524377395,0.760310363,0.873962325,6.811554788,4.966326495,4.089073412,3.466326495,2.857589235,2.316496581,1.140119483,0.704124145,0.681155479,0.451484227,0.292076672,0.192573694,0.12989042,0.089096022,0.063339971,0.044007759,6.137828202,4.03445705,2.97581711,2.260616132,1.676176864,1.232084617,0.536873346,0.295028034,0.61378282,0.366768823,0.212558365,0.125589785,0.076189857,0.04738787,0.029826297,0.018439252,13.25096682,21.32702112,20.35294118,20.56,14.79132695,165.140309,0.602316674,0.969410051,0.92513369,0.934545455,0.672333043,7.506377681,2.5654,43.084,69.06175437,80.55467971,138.1235087,13.81235087,69.06175437,1.05E-15,1.05E-16,-34.48550877,35.25843786,3.525843786,3.562704872,90,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,4,0,0,4,0,0,0,0,0,0,0,0,0,0,4,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.95796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.576805556,0,1.290555556,0,0,1.576805556,0,0,0,0,0,0,0,0,0,0,5.37537037,0,0,8.80287037,0,0,0,0,3.155092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.577546296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.285972222,0,0,0.380972222,0,0,0,0,0,0,0,0,0,0,1.301759259,0,0,2.143009259,0,0,0,0,1.577546296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.258425926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.407430556,0,0.359305556,0,0,0.407430556,0,0,0,0,0,0,0,0,0,0,1.385925926,0,0,2.258425926,0,0,0,0,1.577546296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.33333333,1.733333333,0.407430556,2.258425926,0.116319444,1.301759259,5.854005278,0.198240741,0.258425926,1.605740741,0.198240741,0.258425926,1.605740741,5,0.5,0,0,0.48182,0.7,0.44286,0.44286,0.7,0.03896,0.03896,0,0,0.71429,0,0,0,0.2,0,11.5,1.15,5.5,0.55,6,0.6,0.5,0.05,0,0,6.41361,0.64136,10.92696,4.51335,0.45133,2.98601,0.2986,4.96631,1.9803,0.19803,-0.05231,-0.00523,0.11969,0.01197,0.454545455,31,0,0,0,0,0,0,0.4,0.994030211,2.368522528,2.913977073,3.095795255,3.095795255,3.095795255,21.86866465,52.10749561,64.10749561,68.10749561,68.10749561,68.10749561,0.222905136,0.531126549,0.653441363,0.694212967,0.694212967,0.694212967,3.465401407,2.090909091,1.545454545,1.363636364,1.363636364,1.363636364,0.211476005,0.503893821,0.619937122,0.658618223,0.658618223,0.658618223,6.685280239,17.6733325,20.22163251,20.40487343,20.40487343,20.40487343,36.74662124,28.08813825,24.23565963,23.70495723,23.70495723,23.70495723,6.694214876,2.93877551,1.382716049,0,6,0,2.56,1.1714,0,0,0,0,11.67863166,8.596559455,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.115,0.112,0.679,0.88,5.25,14,18,22,26,18,16,14,12,0,161,2.708050201,3.198673118,3.70745584,4.172462341,4.613262356,4.345427482,4.375363863,4.385925275,4.375363863,0,6.335608176,3.498835404,0.4,2,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,3,0,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,5,0.666666667,1,0.888888889,0.25,0.284444444,0,0,0,0,0,0,0.090909091,0.063492063,0.020833333,0.047407407,0,0,0,0,0,0,0.222641895,22.1589889,32.1589889,44.3179778,4.43179778,22.1589889,5.27E-16,5.27E-17,-35.17865595,5000017.121,500001.7121,15.42495189,0,137.9940115,4.321928095,3.931825633,4.744932128,5.572154032,6.401917197,7.23489842,8.068089626,8.902047346,9.735956081,10.57005972,86.16188019,3.135494216,0,4.369447852,0,5.84932478,0,7.43543802,0,9.066816362,9.288504393,132.0939004,6.004268199,20.65842448,2.065842448,0,0,0,109,12,3.454,50,1.26407814,2.2115582,2.997464741,3.875003081,4.888970194,5.725451817,6.536119692,0,0,0,105.8939133,131.4784064,119.0040356,105.8284698,70.42551243,26.77244013,6.641115919,0,0,0,356.6954994,488.3868363,497.1567436,527.8928496,461.2158995,336.0194561,203.1670741,0,0,0,9.287117082,16.01314024,21.34745465,27.42695893,34.04035647,39.22041676,43.91268485,0,0,0,2.556012155,3.698534641,4.020179734,4.56441283,4.43377781,3.809466681,2.906043163,0,0,0,175.5116945,322.901804,463.0072922,609.4683663,810.9240105,998.6644862,1208.643907,0,0,0,3.01512687,4.63160213,5.496206538,6.77952659,7.436249807,7.27995977,6.536119692,0,0,0,0.52444265,0.767144899,0.844623045,0.969697879,0.959600068,0.846263164,0.669298656,0,0,0,266.5928037,128.0462724,10.92006714,82.8671966,-39.8016581,-4.769739591,183.7256071,167.8479305,15.68980673,0.762870725,0.366411813,0.031248404,0.237129275,-0.113894746,-0.013648886,93.16352125,44.74705037,3.816126666,28.95877055,-13.90908745,-1.666833199,0.129161521,0.128011686,2.717308857,1.658627492,349.4600003,0,1,0,775.9487653,27.85585693,9.189199539,893.0424475,29.88381581,9.629950039,1352.238598,36.77279698,11.05820006,1.347212784,1.347212784,573.6590913,419.2773241,179.9054061,1.368209198,3.188670667,2.330543218,4.086753357,3.868376546,7.157029755,0.850137821,3.673442926,5.408424979,3.684304781,21.51468933,5.022378492,8.070012956,7.41531405,7.199506241,5.616695033,1.183624192,4.37596869,0.616000474,0.897873633,7.79E-06,1.38E-31,4.70E-79,3.09E-148,3.92E-239,0,0,0,0,0,0,0,0,0,0,0,0,0.308289329,5.40825611,0.298079602,7.584607809,1.098408806,1.153643338,1.267345778,0.387983358,1.611143039,0.037260529,0.258545722,0.004338547,0.006323797,5.49E-08,9.70E-34,3.31E-81,2.18E-150,2.76E-241,0,0,0,0,0,0,0,0,0,0,0,0,0.995188921,5.408267771,0.969533762,8.99320581,1.633869952,2.437850811,2.421203171,1.354411912,2.042720224,0.161183098,0.906241981,0.045210962,0.065898845,5.72E-07,1.01E-32,3.45E-80,2.27E-149,2.88E-240,0,0,0,0,0,0,0,0,0,0,0,0,3.467430634,5.408406571,3.470016812,20.15430489,4.688229104,7.601467363,7.003183204,6.632530761,5.234909361,1.074503849,4.055711771,0.548845335,0.799989242,6.94E-06,1.23E-31,4.19E-79,2.75E-148,3.50E-239,0,0,0,0,0,0,0,0,0,0,0,0,1.466723957,5.408282548,1.436329164,10.3861945,2.08028109,3.357297457,3.243301062,2.143713898,2.453608106,0.278935512,1.408098864,0.098204239,0.143141097,1.24E-06,2.20E-32,7.49E-80,4.93E-149,6.25E-240,0,0,0,0,0,0,0,0,0,0,0,0,4.436213716,5.408502294,4.485648403,27.12791642,6.366230076,9.85606857,8.981848041,9.469051054,7.185338979,1.631862036,5.63916194,0.898378782,1.30946431,1.14E-05,2.01E-31,6.85E-79,4.51E-148,5.72E-239,0,0,0,0,0,0,0,0,0,0,0,0,2.074023417,4.82940734,2.021028669,12.3526983,2.566591022,4.481939368,4.610322257,3.518479827,3.288863166,0.471984862,2.195407342,0.205029758,0.298848472,2.59E-06,4.58E-32,1.56E-79,1.03E-148,1.31E-239,0,0,0,0,0,0,0,0,0,0,0,0,4.085920218,2.144047536,0.378660461,0.618270553,0.324431556,0.509523243,0.539911457,0.230409761,6.608628214,11.11944964,21.04529767,0.427405829,1.279844461,3.146742035,1.265242337,0.096581299,0.697947477,0.280630788,0.302224421,0.188031645,0.014950717,4.508565671,4.407506431,9.300600042,0.546921215,0.505206783,3.465015226,1.563059066,0.192189321,0.6637625,0.299421482,0.366443771,0.286957272,0.059269515,5.220263613,6.382365647,12.64353113,0.49564375,0.712670558,4.05624501,2.11628055,0.369749393,0.620005279,0.323477776,0.502149496,0.526017961,0.219681055,6.542274954,10.86644,20.5827001,0.430007919,1.247848512,3.62760563,1.71519862,0.241023704,0.649662859,0.307172541,0.401636351,0.34553369,0.093259046,5.583827953,7.509806639,14.59329955,0.474494288,0.840429087,4.181597149,2.233571713,0.407390385,0.612907415,0.327380332,0.533663274,0.585938983,0.266743705,6.822559246,11.95337522,22.58091874,0.419361122,1.386345961,4.06741877,2.117864382,0.369975604,0.620481803,0.323078686,0.504919986,0.526803608,0.219971792,6.555258756,10.90264521,20.64496311,0.430722704,1.251695385 +UMLKV0163,L,INDENE,C1C=CC2=CC=CC=C12,C9H8,Aromatic with attached unsaturated (but not aromatic) rings,Aromatics,95-13-6,2.973438313,PubChem,,1.3577,0,1.8012,3.24432144,43.5888,21.174344,6,6,17,9,8,0,9,0,0,0,0,0,0,0,0,0,1306.505601,1539.497914,2070.163045,1558.722321,802.096516,118.108368,5.08032,0,0,4060.322071,5153.061948,7372.589329,6407.623526,3976.912913,1312.383247,155.4187222,0,0,121.612356,132.346216,218.627284,257.6457,205.308688,124.524864,33.59232,0,0,28.65700324,36.79735448,54.51702186,51.15220794,34.31168791,14.02341493,2.223064524,0,0,2620.490421,2492.923943,4283.205045,5466.228619,4557.806847,3042.361798,924.5882601,0,0,39.80555556,49.27777778,74.66666667,76.66666667,56.33333333,26.5,5,0,0,76.85327065,85.52766189,69.00543483,43.29784225,27.65850055,6.561576,1.016064,0,0,238.8424748,286.2812194,245.7529776,177.9895424,137.134928,72.9101804,31.08374443,0,0,7.153668,7.352567556,7.287576133,7.156825,7.079609931,6.918048,6.718464,0,0,1.685706073,2.044297471,1.817234062,1.420894665,1.183161652,0.779078607,0.444612905,0,0,154.1464954,138.4957746,142.7735015,151.8396839,157.1657534,169.0200999,184.917652,0,0,2.341503268,2.737654321,2.488888889,2.12962963,1.942528736,1.472222222,1,0,0,0.050368443,-0.001738403,-0.018052148,-0.002615117,-0.016550853,-0.00156578,0.01533808,0,0,512.7501558,26.81046566,-100.1203327,-188.5110867,-198.1460978,33.9319956,169.659978,0,0,953.4808099,49.85520574,-186.178034,-350.5444154,-368.46113,63.09799477,315.4899739,0,0,0.100444235,0.005251986,-0.019612886,-0.036928028,-0.03881546,0.006647045,0.033235225,0,0,4.262502853,0.222875966,-0.832302436,-1.567096637,-1.647192688,0.282077395,1.410386974,0,0,23.15398315,1.210665786,-4.521080043,-8.512493806,-8.947576822,1.532248885,7.661244425,0,0,3.529411765,0.040753556,-1.06497501,-0.382545175,-1.324682814,-0.094867359,1.061610919,0,0,0.00296285,-9.66E-05,-6.02E-04,-7.26E-05,-5.71E-04,-8.70E-05,0.003067616,0,0,30.16177387,1.489470314,-3.337344423,-5.236419074,-6.832624061,1.885110867,33.9319956,0,0,56.08710646,2.769733652,-6.205934465,-9.737344872,-12.70555621,3.505444154,63.09799477,0,0,0.005908484,2.92E-04,-6.54E-04,-0.001025779,-0.001338464,3.69E-04,0.006647045,0,0,0.250735462,0.012381998,-0.027743415,-0.043530462,-0.056799748,0.015670966,0.282077395,0,0,1.361999009,0.06725921,-0.150702668,-0.236458161,-0.308537132,0.085124938,1.532248885,0,0,0.207612457,0.002264086,-0.035499167,-0.010626255,-0.045678718,-0.005270409,0.212322184,0,0,-0.032596303,-0.203094438,-0.024517665,-0.19262506,-0.029359495,1.035360031,0,0,0.049382716,-0.110648148,-0.173611111,-0.226532567,0.0625,1.125,0,0,0.049382716,-0.110648148,-0.173611111,-0.226532567,0.0625,1.125,0,0,0.049382716,-0.110648148,-0.173611111,-0.226532567,0.0625,1.125,0,0,0.049382716,-0.110648148,-0.173611111,-0.226532567,0.0625,1.125,0,0,0.049382716,-0.110648148,-0.173611111,-0.226532567,0.0625,1.125,0,0,0.01090535,-0.170987654,-0.051183128,-0.220019157,-0.025385802,1.022685185,0,0,0.922345645,1.065178335,0.905478443,1.203963192,1.094809911,0.044738688,0,0,0.839506173,1.007407407,1.101851852,1.172413793,0.944444444,0,0,0,0.839506173,1.007407407,1.101851852,1.172413793,0.944444444,0,0,0,0.839506173,1.007407407,1.101851852,1.172413793,0.944444444,0,0,0,0.839506173,1.007407407,1.101851852,1.172413793,0.944444444,0,0,0,0.839506173,1.007407407,1.101851852,1.172413793,0.944444444,0,0,0,0.895473251,1.040987654,0.958436214,1.222349936,1.038888889,0,0,0,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,30.317021,14.66707332,21.92343639,30.28286463,3.364762736,14.66707563,-0.102469136,0.144770163,0.016085574,-1.739347092,216.0523556,24.00581728,4.837968689,0,11.85,12.15009716,-0.197483701,0.10336398,6.851794432,8.733662621,10,18,14,11,3,4,1,0,0,7,8.745656,3.896642869,3.213856999,2.711209086,2.265275095,1.999283045,0.936349217,0.751386979,0.634275881,1.934663649,1.635236263,1.166563237,0.992187746,0.55514387,0.294610037,0.237639127,0.004773746,3.906018791,3.233726211,2.734050231,2.287507301,2.053559467,1.04484566,0.879623337,0.764597328,1.908081025,1.583761609,1.103231272,0.913134037,0.42960752,0.133317731,0.069566919,0.133169099,3.948865863,3.325185468,2.843673216,2.401360429,2.295920056,1.502669846,1.396578303,1.263883454,1.837512721,1.441000237,0.935421825,0.694878529,0.030291288,0.415822314,0.514960157,0.637614483,3.913004563,3.248580273,2.75136921,2.30466166,2.093975113,1.124382985,0.972041416,0.856620342,1.891888708,1.551742321,1.064476098,0.863838385,0.346984783,0.024461402,0.044590564,0.229106292,3.970886389,3.372202182,2.902425032,2.470703929,2.408863196,1.705744533,1.616773175,1.466689105,1.817471268,1.399189685,0.889108699,0.632767116,0.102491581,0.61276886,0.732013266,0.830489281,3.910423864,3.299254781,2.783105405,2.322194358,2.099619403,1.227102121,1.085719563,0.945399274,1.880422863,1.535027537,1.038359787,0.78198663,0.272552999,0.09656656,0.171181567,0.310357178,0,0,0,6,2,0,1,0,0,0,0,0.11785113,0.25,0.294627825,0,0,0.058925565,0.09581916,0.094604928,0.333333333,0,0.083333333,0,0.185395406,0,0.034020691,0,0.942809042,1.5,1.414213562,0.438965393,0.58115787,0.449778435,6.104448007,4.466326495,3.735520021,3.216326495,2.686765231,1.779039102,0.936856351,0.560395406,0.678272001,0.44663265,0.287347694,0.189195676,0.127941201,0.088951955,0.06245709,0.043107339,5.171208396,3.211160418,2.305306794,1.690268696,1.195541839,0.647631238,0.291807263,0.146769731,0.574578711,0.321116042,0.177331292,0.09942757,0.056930564,0.032381562,0.019453818,0.011289979,11.16731122,16.55134741,15.90196078,16.04,12.19421796,125.8264934,0.65690066,0.973608671,0.935409458,0.943529412,0.717306939,7.401558436,2.07319,38.118,55.16228989,65.35541437,110.3245798,12.25828664,55.16228989,5.55E-17,6.17E-18,-33.68695298,2000024.663,222224.9625,13.05780306,70,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,4,0,0,1,1,6,0,0,0,0,0,0,0,0,0,0,1,0,2,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.71212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.809722222,1.730972222,0,0,0.449583333,0.422222222,2.540694444,0,0,0,0,0,0,0,0,0,0,1.121203704,0,4.375,8.494537037,0,0,0,0,2.842592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.386574074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.3875,0.422222222,0,0,0.449583333,0.422222222,0.3875,0,0,0,0,0,0,0,0,0,0,1.121203704,0,2.175925926,2.07787037,0,0,0,0,1.386574074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.199074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.44,0,0,0.449583333,0.422222222,0.44,0,0,0,0,0,0,0,0,0,0,1.121203704,0,2.199074074,2.175925926,0,0,0,0,1.456018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.83333333,1.87037037,0.449583333,2.199074074,0.1875,1.121203704,4.873805278,0.378796296,0.199074074,1.739074074,0.378796296,0.199074074,1.739074074,4.5,0.5,0,0,0.51176,0.7,0.444,0.444,0.7,0.06776,0.06776,0,0,0.71429,0,0,0,0.22222,0,12.5,1.38889,5,0.55556,7.5,0.83333,2.5,0.27778,0,0,3.96363,0.4404,9.28813,5.3245,0.59161,1.90401,0.21156,4.46631,2.56231,0.2847,-0.05231,-0.00581,0.11969,0.0133,0.529411765,28,0,0,0,0,0,0,0.111111111,0.997502546,2.374556048,3.051601637,3.734521665,3.969815782,3.969815782,16.95754329,40.36745282,51.87722783,63.4868683,67.4868683,67.4868683,0.244039539,0.580936425,0.746575995,0.91365275,0.971217583,0.971217583,3.089960295,1.712906793,1.035861204,0.352941176,0.117647059,0.117647059,0.223683786,0.532479529,0.684302821,0.83744342,0.890206672,0.890206672,6.344815581,18.67288768,24.2756135,27.55027151,27.78740681,27.78740681,30.32476541,25.25701081,19.49398732,15.64396901,15.15280128,15.15280128,5.76,2.319526627,0.996539792,0,8,0,2.45,0.9875,0,0,0,0,9.480406828,8.052870517,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.137,0.136,0.779,1.016,4.691,13,17,21,20,15,13,11,0,0,129,2.708050201,3.238678452,3.801091445,4.342180726,4.710093106,4.627420795,4.801199445,4.906431517,0,0,6.452443198,4.908914729,0.25,2,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,3,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,4,0.333333333,1,0.888888889,0.319444444,0.097222222,0,0,0,0,0,0,0.1,0.068376068,0.035493827,0.024305556,0,0,0,0,0,0,0.228175451,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,0,118.0615681,4.169925001,3.850147602,4.672828834,5.509388337,6.34738921,7.189167738,8.030409562,8.873047799,9.715168044,10.55791989,83.74546702,3.044522438,0,4.290459441,2.397895273,5.752572639,4.59511985,7.311218384,6.580639137,8.914760527,9.22818029,116.0626003,6.82721178,18.55905426,2.06211714,0,0,0,79,9,2.923,46,1.266032656,2.24068407,3.145944771,4.196552669,5.269082866,6.298029617,0,0,0,0,117.7980375,163.4385491,145.7124652,121.5203329,35.00702698,6.399201165,0,0,0,0,384.6780348,572.0748998,588.506467,595.3132706,387.4397065,195.766343,0,0,0,0,9.339044419,16.3625057,22.58546616,29.77202508,36.46737134,42.31308526,0,0,0,0,2.708797283,4.191100429,4.648728755,5.099125382,4.131177738,2.800185243,0,0,0,0,173.4441615,317.7360472,472.525205,654.8379348,889.3380668,1164.616849,0,0,0,0,3.569549712,5.693123284,6.903241497,8.328535063,7.794921594,6.298029617,0,0,0,0,0.553903369,0.863702879,0.971889141,1.081327551,0.907445661,0.644918233,0,0,0,0,228.3880263,100.1953686,12.68954492,187.6226546,-82.31132491,-10.6417581,40.76537172,182.5066935,23.33130301,0.548995583,0.240848068,0.030502931,0.451004417,-0.197858682,-0.025580492,95.01185835,41.68234353,5.278986223,78.0530283,-34.24239033,-4.427085032,0.142127198,0.180347364,4.103108866,5.966608809,416.0106809,0,1,0,741.8708376,27.23730599,9.052657716,820.641,28.64683229,9.362339889,1220.28383,34.93256117,10.68612587,1.319167367,1.219497294,442.4080688,319.0929384,126.6448893,1.386455216,3.493295869,2.51958796,3.762660785,3.873610987,6.748577395,0.742192858,2.721209682,3.822859818,3.558054949,8.207652392,6.908287372,4.287311887,1.942166748,3.418199767,2.166748297,1.112986013,0.734252855,0.007638464,0.002443511,3.16E-25,9.77E-69,6.05E-134,7.25E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0.228422913,3.822817043,0.311298794,2.872405008,0.56381672,0.955912127,0.275845259,0.704820248,0.042001668,0.026587266,0.005209767,5.38E-05,1.72E-05,2.23E-27,6.88E-71,4.26E-136,5.11E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0.737253837,3.822820072,0.969150423,3.241493333,1.793086738,1.635920847,0.517984739,1.252544986,0.227728075,0.129855179,0.053988569,5.61E-04,1.79E-04,2.32E-26,7.17E-70,4.44E-135,5.32E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,2.568603062,3.822855182,3.357564297,7.626338118,6.496615576,4.083365629,1.805489325,3.249918658,1.948945835,1.004559895,0.65423249,0.006805734,0.002177124,2.82E-25,8.71E-69,5.39E-134,6.46E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,1.086550314,3.822823844,1.422194071,3.70862878,2.656471047,2.10272581,0.713301832,1.63036212,0.428853731,0.23592727,0.117175982,0.001217742,3.90E-04,5.04E-26,1.56E-69,9.64E-135,1.16E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,3.286243306,3.822879273,4.302341977,10.64918369,8.458941635,5.042433482,2.487582839,4.043732798,3.072780193,1.562033373,1.07071365,0.011139982,0.003563631,4.61E-25,1.43E-68,8.82E-134,1.06E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,1.47604419,3.490189992,1.96740902,4.411232111,3.558754243,2.555346474,0.94267032,2.086163511,0.717723362,0.382161119,0.210032,0.002183488,6.98E-04,9.03E-26,2.79E-69,1.73E-134,2.07E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,4.01189037,1.980175895,0.097163904,0.658850176,0.325193143,0.564901957,0.506910216,0.117660855,6.089230169,8.526461156,15.38758553,0.488275264,1.189473028,2.739523755,1.081213652,0.014334839,0.714334328,0.281927845,0.263285052,0.152397061,0.002560983,3.835072246,3.016780139,6.894312329,0.571501492,0.418243096,3.133964941,1.361477995,0.040072646,0.690983172,0.300181527,0.344473216,0.241235978,0.020013249,4.535515581,4.446968594,9.153467113,0.536474757,0.605722443,3.96624416,1.948149272,0.094200941,0.660095176,0.324227124,0.552084633,0.490843812,0.110594252,6.008594373,8.2839771,15.02044667,0.490142764,1.153522696,3.349105361,1.513678809,0.054085508,0.681145847,0.307854165,0.39340869,0.297783264,0.036457221,4.916869677,5.332475962,10.52353049,0.521718771,0.727649175,4.161844459,2.085295,0.106894106,0.65499252,0.328184448,0.608058997,0.561398877,0.14240645,6.354033565,9.346455827,16.62818843,0.482488781,1.311864324,3.970829382,1.948192822,0.094087592,0.660362028,0.323990895,0.55331789,0.491115645,0.110328261,6.013109796,8.292847845,15.03381373,0.490543043,1.154761796 +UMLKV0164,L,FORMIC ACID,C(=O)O,CH202,Organic Acid,,64-18-6,1.777358532,PubChem,,1.0535,1,-0.3087,0.09529569,8.5717,4.697586,0,0,5,3,2,0,1,0,2,0,0,0,0,0,0,0,658.232251,412.562058,300.329073,17.143056,0,0,0,0,0,918.4659445,802.2092511,495.1546546,113.0973751,0,0,0,0,0,47.680876,36.656568,39.411684,16.189632,0,0,0,0,0,4.96453381,4.326992296,2.826284282,0.979380891,0,0,0,0,0,867.5322317,644.9934812,708.9423869,370.1019287,0,0,0,0,0,91,34,57,8,0,0,0,0,0,131.6464502,103.1405145,75.08226825,8.571528,0,0,0,0,0,183.6931889,200.5523128,123.7886636,56.54868753,0,0,0,0,0,9.5361752,9.164142,9.852921,8.094816,0,0,0,0,0,0.992906762,1.081748074,0.706571071,0.489690445,0,0,0,0,0,173.5064463,161.2483703,177.2355967,185.0509644,0,0,0,0,0,18.2,8.5,14.25,4,0,0,0,0,0,0.312764197,-0.188284539,0.061102651,-0.02920021,0,0,0,0,0,234.572126,-40.563272,-88.223182,11.500391,0,0,0,0,0,170.5882433,-30.65360801,-82.42248586,27.7819722,0,0,0,0,0,1.2415472,-0.50464736,-0.04742176,-0.06870448,0,0,0,0,0,0.71856406,-0.339125896,-0.115484475,0.095328341,0,0,0,0,0,4.410666648,-2.444165801,-0.192988507,0.431820984,0,0,0,0,0,33.2,-11.56,-2.16,-2.88,0,0,0,0,0,0.062552839,-0.047071135,0.015275663,-0.014600105,0,0,0,0,0,46.9144252,-10.140818,-22.0557955,5.7501955,0,0,0,0,0,34.11764866,-7.663402001,-20.60562146,13.8909861,0,0,0,0,0,0.24830944,-0.12616184,-0.01185544,-0.03435224,0,0,0,0,0,0.143712812,-0.084781474,-0.028871119,0.047664171,0,0,0,0,0,0.88213333,-0.61104145,-0.048247127,0.215910492,0,0,0,0,0,6.64,-2.89,-0.54,-1.44,0,0,0,0,0,-0.752501968,0.244204145,-0.233404353,0,0,0,0,0,-0.216155648,-0.470128226,0.122567749,0,0,0,0,0,-0.224616945,-0.603957842,0.407149574,0,0,0,0,0,-0.50808314,-0.047744621,-0.138344479,0,0,0,0,0,-0.589936783,-0.200894536,0.33166264,0,0,0,0,0,-0.692686048,-0.05469369,0.244759477,0,0,0,0,0,-0.435240964,-0.081325301,-0.21686747,0,0,0,0,0,1.47322049,0.630307546,0.792943927,0,0,0,0,0,0.804879046,1.216099672,0.958042564,0,0,0,0,0,1.106383463,1.149029752,0.489173571,0,0,0,0,0,1.127821802,0.917969128,0.908418141,0,0,0,0,0,1.761536207,0.725743332,0.025440923,0,0,0,0,0,1.880131573,0.619824847,8.72E-05,0,0,0,0,0,1.009036145,0.948795181,1.084337349,0,0,0,0,0,2.987218079,1.74360904,2.71829158,3.153884746,1.051294915,2.061717145,0.5,0.18211812,0.06070604,-0.510929937,4.199151219,1.399717073,0.430464724,2.990488929,1.744510044,2.721006819,3.156665982,1.052221994,2.062231783,0.498531158,0.18192114,0.06064038,-0.511254595,4.200925969,1.400308656,0.430591491,5.941908315,2.57195968,5.185760821,5.675911997,1.891970666,2.683359993,-0.797988956,0.117181815,0.039060605,-0.643208573,5.066470682,1.688823561,0.486793337,2.993921991,1.745455796,2.723856886,3.159585191,1.053195064,2.062772555,0.4969896,0.18171518,0.060571727,-0.511594429,4.202785634,1.400928545,0.430724265,9.113139126,3.474275299,7.830812623,8.391609617,2.797203206,3.51347327,-2.164588529,0.102454806,0.034151602,-0.683500049,5.387215647,1.795738549,0.505208602,3.330898676,1.838583524,3.004269874,3.446321466,1.148773822,2.118744677,0.346268372,0.164811499,0.054937166,-0.540885867,4.370451549,1.456817183,0.4424599,1.665535343,1.257010171,1.399301652,1.593385422,0.531128474,1.900210986,1.380952381,0.565340116,0.188446705,-0.171098326,5.260357273,1.753452424,0.498059684,0,11.99697321,15.99825685,-0.354296388,0.265709659,2.452246575,3.118640843,2,4,3,3,1,1,1,0,0,1,3.144414,3.197641022,1.747233717,0.485180052,0.375874644,1.222276059,0,0,0,1.222276059,0.375874644,0.485180052,1.747233717,3.197641022,0,0,0,2.942811622,1.373124173,0.411591265,0.379358946,1.376742101,0,0,0,1.376742101,0.379358946,0.411591265,1.373124173,2.942811622,0,0,0,3.272028298,1.992462824,1.059729295,0.248676698,1.023734697,0,0,0,1.023734697,0.248676698,1.059729295,1.992462824,3.272028298,0,0,0,2.868902567,1.30497378,0.424097817,0.389601809,1.449338823,0,0,0,1.449338823,0.389601809,0.424097817,1.30497378,2.868902567,0,0,0,3.253468618,2.049180593,1.208173581,0.352575914,1.029336914,0,0,0,1.029336914,0.352575914,1.208173581,2.049180593,3.253468618,0,0,0,4.462123767,3.389805716,1.179587044,0.182389935,0.713906462,0,0,0,0.713906462,0.182389935,1.179587044,3.389805716,4.462123767,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.707106781,1.414213562,0.707106781,0,0,0,0,0,0.902368927,0.707106781,0.707106781,0,0,0,0,0,1.432812155,0.49390115,0.105409255,0,0,0,0,0,0.477604052,0.246950575,0.105409255,0,0,0,0,0,2.971426013,5.549162418,5.423529412,5.56,2.759033533,39.33729701,0.594285203,1.109832484,1.084705882,1.112,0.551806707,7.867459401,-0.2992,8.6928,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,4.44E-16,1.48E-16,-10.60515186,2000000,666666.6667,4.352597322,6,1,0,2,1,1,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.040277778,0,15.25,-0.25,8.697878086,0,0,0,0,0,0,0,0,1.040277778,0,0,0,0,0,0,0,0,0,0,0.8875,0,0,0,0,0,0.8875,0,0,0,0,0,0,0,0,0,0,0,0,-0.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.888888889,8.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.040277778,0,6.888888889,-0.25,8.697878086,0,0,0,0,0,0,0,0,1.040277778,0,0,0,0,0,0,0,0,0,0,0.8875,0,0,0,0,0,0.8875,0,0,0,0,0,0,0,0,0,0,0,0,-0.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.888888889,8.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.040277778,0,8.361111111,0,8.697878086,0,0,0,0,0,0,0,0,1.040277778,0,0,0,0,0,0,0,0,0,0,0.8875,0,0,0,0,0,0.8875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.888888889,8.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15,5,1.040277778,8.361111111,0.8875,-0.25,-0.07,2.25,1.361111111,4.5,2.25,1.361111111,4.5,1.16666,0.38889,0,0.11111,0.84667,1.21111,0.40909,0.84667,0.98333,0.43758,0,-0.43758,0.22778,0.3211,0.39319,0,0.57143,0,0,3,1,1.5,0.5,1.5,0.5,0,0,0,0,0.5576,0.18587,1.91421,1.35661,0.4522,0.4293,0.1431,1.41421,0.98491,0.3283,0,0,0,0,0,2.02,2,2,2,2,1,1,0,1.521928095,2.321928095,2.321928095,1.393156857,0,0,7.609640474,11.60964047,11.60964047,6.965784285,0,0,0.655458754,1,1,0.6,0,0,0.8,-4.44E-16,-4.44E-16,0.928771238,2.321928095,2.321928095,0.655458754,1,1,0.6,0,0,14.56318712,21.36428298,21.36428298,8.363847229,0,0,12.304196,11.14525486,11.14525486,4.64385619,0,0,3,2,0,2,3,0,1.35,0.3239,0,0,0,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0.591,0.415,0.414,0.532,0.144,1.397,1,0,0,0,0,0,0,0,0,6,1.386294361,1.098612289,0,0,0,0,0,0,0,0,2.197224577,1.333333333,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.5,0,1,2,1,0.5,0,0,0,0,0,0,0,0,0,0.25,0,0,0,0,0,0,0,0,0,0.25,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,4.44E-16,1.48E-16,-10.60515186,2000000,666666.6667,4.352597322,37.3,40.79643803,2.584962501,1.945910149,2.197224577,2.564949357,2.833213344,3.218875825,3.496507561,3.891820298,4.17438727,4.574710979,33.89759936,1.609437912,0,2.197224577,0,2.833213344,0,3.496507561,0,4.17438727,4.852030264,46.0054793,9.201095861,4.914213562,1.638071187,4.414213562,4.414213562,0,4,0,-0.316,6,1.15025,2.051614757,2.569885563,0,0,0,0,0,0,0,129.4790829,164.7848958,19.83598932,0,0,0,0,0,0,0,243.9270016,258.3469511,137.9362196,0,0,0,0,0,0,0,10.59750833,20.49554828,20.40346803,0,0,0,0,0,0,0,1.288271475,1.42724762,1.245371312,0,0,0,0,0,0,0,183.8202746,365.1341801,475.5211275,0,0,0,0,0,0,0,10.2115,30.99733285,9.409235648,0,0,0,0,0,0,0,0.4205304,0.550631391,0.37988119,0,0,0,0,0,0,0,104.9181663,63.40898489,21.19031953,128.8953414,-77.89997712,-38.47163532,-23.97717509,141.308962,59.66195485,0.448725856,0.271194703,0.09062915,0.551274144,-0.333171415,-0.164539832,24.5312845,14.82587718,4.954582941,30.13747191,-18.2140669,-8.995188002,0.406267847,0.552837249,17.56779189,31.48835439,36.78896627,197.0245415,0.157343203,0.842656797,238.8211272,15.45383859,6.204273218,266.5390953,16.32602509,6.435569327,290.4077248,17.04135337,6.622206534,1.15961091,1.068446138,47.67348118,40.78075737,6.892723819,1.169019024,6.916493746,5.916493746,1.80122911,1.864068782,2.859987765,0.534271585,1.006463829,0.072683466,1.490688308,0.008435963,0.14081017,1.62E-18,3.61E-57,1.55E-117,1.28E-199,2.05E-303,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.120877867,0.096813905,0.171573386,0.001942706,9.92E-04,1.14E-20,2.54E-59,1.09E-119,9.04E-202,1.44E-305,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.22334266,0.05195316,0.302626272,0.001824165,0.01033467,1.19E-19,2.65E-58,1.14E-118,9.42E-201,1.50E-304,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.178092849,0.096716385,1.826057777,0.010904543,0.125459327,1.45E-18,3.22E-57,1.38E-117,1.14E-199,1.82E-303,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.254683535,0.034905306,0.318760987,0.001640894,0.022448284,2.59E-19,5.76E-58,2.47E-118,2.05E-200,3.26E-304,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.396104058,0.087902368,2.137325255,0.012322059,0.2053584,2.37E-18,5.27E-57,2.26E-117,1.87E-199,2.99E-303,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.25724165,0.218144319,2.376214975,0.020022026,0.035202543,4.06E-19,9.03E-58,3.88E-118,3.21E-200,5.12E-304,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.983118289,0.443269045,0,0.689236553,0.310763447,0.630695367,0.442832407,0,1.426387333,0.435785905,1.862173238,0.533854829,0,0.911121754,0.161980273,0,0.849054173,0.150945827,1.056947407,0.020675793,0,1.073102027,0.147583751,1.220685778,0.773581259,0,0.739877383,0.353448452,0,0.676721759,0.323278241,0.589066712,0.18461143,0,1.093325835,0.261508516,1.354834351,0.515082639,0,0.923890334,0.478629986,0,0.658735792,0.341264208,0.655055845,0.569049336,0,1.40252032,0.442201617,1.844721937,0.5,0,0.77976327,0.367561445,0,0.679636078,0.320363922,0.421617217,0.325746146,0,1.147324715,0.286610914,1.433935629,0.519454117,0,1.011941683,0.459249669,0,0.687838249,0.312161751,0.668886334,0.476023304,0,1.471191353,0.464733883,1.935925236,0.531757373,0,0.92477735,0.481159633,0,0.657765861,0.342234139,0.64720191,0.576063593,0,1.405936983,0.44496553,1.850902513,0.5,0 +UMLKV0165,L,ACETIC ACID,CC(=O)O,C2H402,Organic Acid,,64-19-7,2.045374132,PubChem,,0.9043,1,-0.2299,0.05285401,12.6437,7.791172,0,0,8,4,4,0,2,0,2,0,0,0,0,0,0,0,804.5285,581.040355,691.772523,124.996032,3.048192,0,0,0,0,1404.150335,1455.199386,1374.04748,688.8320307,93.25123329,0,0,0,0,68.65832,58.432348,82.045404,73.415808,20.155392,0,0,0,0,8.642659619,9.342980916,9.109899955,4.856920212,1.333838715,0,0,0,0,1364.161892,1078.032933,1659.38109,1449.412485,554.7529561,0,0,0,0,95.77777778,37,77.66666667,48,3,0,0,0,0,100.5660625,83.005765,69.1772523,15.624504,1.016064,0,0,0,0,175.5187919,207.8856265,137.404748,86.10400384,31.08374443,0,0,0,0,8.58229,8.347478286,8.2045404,9.176976,6.718464,0,0,0,0,1.080332452,1.334711559,0.910989995,0.607115026,0.444612905,0,0,0,0,170.5202365,154.0047047,165.938109,181.1765606,184.917652,0,0,0,0,11.97222222,5.285714286,7.766666667,6,1,0,0,0,0,0.298930667,-0.218512218,0.16081541,-0.113845741,0.022077216,0,0,0,0,353.748162,-46.20653825,158.2330225,-415.592072,126.6915068,0,0,0,0,325.7990109,-45.03096068,-42.03469954,-185.0902213,109.2563761,0,0,0,0,1.563792,-0.298532,0.806812,-1.567424,0.277248,0,0,0,0,1.401417218,-0.269355152,-0.76746521,0.093114296,0.242997457,0,0,0,0,8.246789654,-1.72572184,-4.817691308,1.412091599,1.007926722,0,0,0,0,42.38888889,-9.284722222,23.84722222,-43.27777778,7.520833333,0,0,0,0,0.037366333,-0.031216031,0.016081541,-0.014230718,0.007359072,0,0,0,0,44.21852025,-6.600934036,15.82330225,-51.949009,42.23050225,0,0,0,0,40.72487636,-6.432994383,-4.203469954,-23.13627767,36.41879204,0,0,0,0,0.195474,-0.042647429,0.0806812,-0.195928,0.092416,0,0,0,0,0.175177152,-0.038479307,-0.076746521,0.011639287,0.080999152,0,0,0,0,1.030848707,-0.246531691,-0.481769131,0.17651145,0.335975574,0,0,0,0,5.298611111,-1.326388889,2.384722222,-5.409722222,2.506944444,0,0,0,0,-0.835405252,0.43037514,-0.380843299,0.196943918,0,0,0,0,-0.149279849,0.357843324,-1.174824682,0.955041055,0,0,0,0,-0.157962281,-0.103216273,-0.568111674,0.89426403,0,0,0,0,-0.21817443,0.412746452,-1.00232256,0.472778989,0,0,0,0,-0.219659396,-0.438108052,0.066442952,0.462384228,0,0,0,0,-0.239154097,-0.467351928,0.171229249,0.325921323,0,0,0,0,-0.250327654,0.450065531,-1.020969856,0.473132372,0,0,0,0,1.636139689,0.423370803,1.384857938,0.411483547,0,0,0,0,0.875957054,0.510604246,2.09528227,0,0,0,0,0,1.270302889,1.041416455,1.086714403,0,0,0,0,0,0.910581458,0.390286688,2.215382864,0,0,0,0,0,1.621359339,1.381737554,0.354138636,0,0,0,0,0,1.668473053,1.399934737,0.290167657,0,0,0,0,0,0.888597641,0.36146789,2.270642202,0,0,0,0,0,6.419302584,3.459651292,5.196450942,6.669302584,1.667325646,3.530223995,0.5,0.12898343,0.032245857,-0.819228534,10.3207941,2.580198526,0.933664282,6.423333108,3.460932133,5.198254315,6.672598687,1.668149672,3.531383447,0.498531158,0.128674804,0.032168701,-0.820186783,10.33589994,2.583974985,0.934249307,9.994654674,4.598332859,7.436841475,9.595660196,2.398915049,4.615652535,-0.797988956,0.129597792,0.032399448,-0.817327814,10.55398115,2.638495288,0.94260126,6.427563213,3.462276407,5.200148102,6.676058013,1.669014503,3.532600573,0.4969896,0.128350465,0.032087616,-0.8211963,10.35185496,2.587963741,0.934866291,13.77818398,5.806797724,10.38651197,12.69588971,3.173972428,5.811394664,-2.164588529,0.163025066,0.040756266,-0.725540525,10.17043677,2.542609193,0.927794063,6.84137811,3.593823241,5.391563792,7.014512296,1.753628074,3.652871677,0.346268372,0.094313315,0.023578329,-0.944453159,12.63586733,3.158966834,1.014615754,4.714965548,2.768791432,4.287225097,4.829646356,1.207411589,2.964285303,1.415873016,0.301028165,0.075257041,-0.48022058,7.059700518,1.764925129,0.781761052,0,11.99668798,15.99825726,-0.351666803,0.275648439,3.092996179,4.357880902,3,7,6,6,2,1,1,0,0,1,5.330828,3.377248559,2.185904732,1.715833083,0.083923071,0.083923071,0.140416342,0.740881263,1.565784681,1.565784681,0.740881263,0.140416342,0.083923071,0.083923071,1.715833083,2.185904732,3.377248559,3.215402977,2.090036147,1.328317709,0.270913902,0.270913902,0.234104202,0.840009542,1.588217076,1.588217076,0.840009542,0.234104202,0.270913902,0.270913902,1.328317709,2.090036147,3.215402977,3.453983644,2.501124401,1.930561468,0.943918427,0.943918427,0.346718331,0.362319006,1.32090642,1.32090642,0.362319006,0.346718331,0.943918427,0.943918427,1.930561468,2.501124401,3.453983644,3.181783209,2.070415411,1.247896618,0.399277246,0.399277246,0.281037923,0.847037411,1.612986371,1.612986371,0.847037411,0.281037923,0.399277246,0.399277246,1.247896618,2.070415411,3.181783209,3.459594817,2.58004115,1.962543117,1.207644823,1.207644823,0.424123013,0.294498901,1.297741404,1.297741404,0.294498901,0.424123013,1.207644823,1.207644823,1.962543117,2.58004115,3.459594817,4.699662719,3.655802802,2.695269432,0.545454545,0.545454545,0.433648595,0.045509879,1.257055488,1.257055488,0.045509879,0.433648595,0.545454545,0.545454545,2.695269432,3.655802802,4.699662719,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.577350269,0,0,0,0.091287093,0,0,0,0,0,0,0,0,0,3.577350269,1.732050808,1.732050808,0,0,0,0,0,0.894337567,0.577350269,0.577350269,0,0,0,0,0,2.355461886,0.927730943,0.519018036,0,0,0,0,0,0.588865471,0.309243648,0.173006012,0,0,0,0,0,4.513253816,8.436999272,8.149019608,8.32,4.557588024,62.3655521,0.564156727,1.054624909,1.018627451,1.04,0.569698503,7.795694012,0.0909,13.3098,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9,1,0,2,1,1,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.929166667,0,16.41666667,-0.833333333,8.3625,0,0,0,0,0,0,0,0,0.929166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0,0,0,0,0,0,0,0,0,0,1.083333333,0,0,0,0,0,0,0,0,-0.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.416666667,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.929166667,0,7.416666667,-0.833333333,8.3625,0,0,0,0,0,0,0,0,0.929166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0,0,0,0,0,0,0,0,0,0,1.083333333,0,0,0,0,0,0,0,0,-0.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.416666667,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.929166667,0,9,0,8.3625,0,0,0,0,0,0,0,0,0.929166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0,0,0,0,0,0,0,0,0,0,1.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.416666667,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.66666667,4.166666667,0.929166667,9,0.5125,-0.833333333,0.5855,2.5,2,6.833333333,2.5,2,6.833333333,1.66666,0.41667,0,0.08333,0.69167,1.08334,0.41429,0.69167,0.92667,0.27738,0,-0.27738,0.15667,0.38461,0.32968,0,0.7,0.3,0,3.5,0.875,2,0.5,1.5,0.375,-0.5,-0.125,0,0,1.42951,0.35738,3.23204,1.80253,0.45063,0.77543,0.19386,1.73204,0.95662,0.23915,0.18196,0.04549,0.18196,0.04549,0,3.02,2,2,2,2,1,1,0.5,1.5,2.405639062,2.405639062,2.030639062,0.905639062,0,12,19.2451125,19.2451125,16.2451125,7.245112498,0,0.5,0.801879687,0.801879687,0.676879687,0.301879687,0,1.5,0.594360938,0.594360938,0.969360938,2.094360938,3,0.5,0.801879687,0.801879687,0.676879687,0.301879687,0,14.50136983,21.90891168,21.90891168,17.40891168,0.912725717,0,16,12.46691719,12.46691719,10.21691719,1.966917187,0,4,1.333333333,0,4,3,2,1.46,0.4648,0,0,1,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0.591,0.411,0.402,0.508,0.152,1.873,3,0,0,0,0,0,0,0,0,10,1.609437912,1.791759469,0,0,0,0,0,0,0,0,2.63905733,1.3,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.666666667,0,1,2,1,1.5,0,0,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0.5,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,37.3,58.09242265,3,2.564949357,2.944438979,3.610917913,4.007333185,4.691347882,5.093750201,5.783825182,6.188264123,6.880384082,48.76521091,1.945910149,0,2.944438979,0,4.007333185,0,5.093750201,0,6.188264123,6.59441346,60.02112937,7.502641171,6.732050808,1.683012702,4.488033872,4.488033872,0,9,0,-0.08,12,1.195142857,2.078223021,2.777801359,2.529379236,0,0,0,0,0,0,109.0064397,159.6974718,43.71579066,2.570011184,0,0,0,0,0,0,267.5227326,304.0102697,236.6236025,78.62257775,0,0,0,0,0,0,9.98523655,17.37869288,25.67566721,16.99354334,0,0,0,0,0,0,1.693761239,1.944091023,1.641232766,1.12459465,0,0,0,0,0,0,181.8600145,343.244505,505.7770573,467.7268694,0,0,0,0,0,0,6.43047619,17.73439948,17.05687188,2.529379236,0,0,0,0,0,0,0.438759729,0.574778192,0.578366331,0.259008434,0,0,0,0,0,0,305.6940476,182.8300417,32.11550588,98.45143511,-58.88201006,-28.84974875,207.2426125,241.7120518,60.96525463,0.756396052,0.452386701,0.079465211,0.243603948,-0.145695084,-0.071384563,123.5448684,73.88993545,12.97933663,39.78870277,-23.79689838,-11.65949564,0.427565037,0.554666188,33.05111315,22.28852751,199.0373043,205.1081784,0.492489247,0.507510753,302.0599843,17.37987297,6.709617022,348.0561803,18.65626384,7.034228145,420.2099834,20.49902396,7.490120226,1.100732554,1.083250689,93.51155287,51.01324342,45.86915795,1.833083854,2.03865859,1.112146935,2.511766782,2.139642451,3.2480163,0.518018255,1.774522137,1.064675742,1.068493999,2.925477554,1.73954169,0.003285734,4.66E-25,1.29E-68,7.01E-134,7.44E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.191194473,1.088746981,0.069164787,0.727791506,0.194236618,1.84E-04,2.31E-26,5.61E-70,2.64E-135,2.42E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.415174834,1.043890091,0.236000823,0.726280949,0.336604283,4.26E-04,5.69E-26,1.49E-69,7.61E-135,7.64E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.968702441,1.088702126,0.99433893,3.710978208,2.184151036,0.003489077,4.84E-25,1.31E-68,7.00E-134,7.29E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.517717372,1.026847328,0.361579189,0.645433554,0.333485996,5.74E-04,8.03E-26,2.20E-69,1.18E-134,1.24E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.376812176,1.079922145,1.358386607,4.200191809,2.540611518,0.00479517,6.79E-25,1.88E-68,1.02E-133,1.09E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.19429077,1.200094055,0.486937901,6.507019256,3.618325315,0.003265904,4.20E-25,1.05E-68,5.14E-134,4.91E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.081153009,0.843518302,0.209042269,0.506700158,0.39532874,0.642347881,0.406071031,0.25,2.133713579,1.314310007,3.638664355,0.353043348,1.298418912,1.284434229,0.764181861,0.028070953,0.618501586,0.367981234,0.94022666,0.276762565,0.004508023,2.076687043,1.039047945,3.143287788,0.47972423,1.221497247,1.028207736,0.715900158,0.100384262,0.557447606,0.3881286,0.744833026,0.299765991,0.057650496,1.844492156,0.911175064,2.829559482,0.418364308,1.102249513,1.108623221,0.908116018,0.187098605,0.503042102,0.412061178,0.816259943,0.525876832,0.200268612,2.203837844,1.384087603,3.776288558,0.372654919,1.542405387,0.945081156,0.683506004,0.14650876,0.532411317,0.385052997,0.64213279,0.30649197,0.122800172,1.775095919,0.884570929,2.754306914,0.37619647,1.071424931,1.110321581,0.872430957,0.218349419,0.50443896,0.396360993,0.649347641,0.422273132,0.272756977,2.201101957,1.401611784,3.814224219,0.351199929,1.34437775,1.103086576,0.915426479,0.187573063,0.500019726,0.414955006,0.840640547,0.543507866,0.20128561,2.206086118,1.388413337,3.783909732,0.372462098,1.585434022 +UMLKV0166,L,PROPIONIC ACID,CCC(=O)O,C3H602,Organic Acid,,79-09-4,2.271796133,PubChem,,0.8861,1,-0.1537,0.02362369,17.6672,10.884758,0,0,11,5,6,0,3,0,2,0,0,0,0,0,0,0,950.824749,749.518652,885.48106,519.487674,110.901168,3.048192,0,0,0,1889.834726,2108.18952,2287.594592,1660.976089,668.985889,93.25123329,0,0,0,89.635764,80.208128,124.774912,136.20492,77.381568,20.155392,0,0,0,12.32078543,14.35896954,16.7975901,12.4743746,5.211378036,1.333838715,0,0,0,1860.791552,1511.072384,2583.583289,2954.604143,1634.063512,554.7529561,0,0,0,100.0277778,42.16666667,82.33333333,71.5,43,3,0,0,0,86.43861355,74.9518652,55.34256625,30.55809847,12.322352,1.016064,0,0,0,171.8031569,210.818952,142.974662,97.70447584,74.33176544,31.08374443,0,0,0,8.148705818,8.0208128,7.798432,8.012054118,8.597952,6.718464,0,0,0,1.120071403,1.435896954,1.049849381,0.733786741,0.579042004,0.444612905,0,0,0,169.1628684,151.1072384,161.4739555,173.8002437,181.5626124,184.917652,0,0,0,9.093434343,4.216666667,5.145833333,4.205882353,4.777777778,1,0,0,0,0.304728826,-0.223286966,0.132596042,-0.038901835,-0.03834546,0.015573806,0,0,0,451.9430907,-50.67903266,100.8852699,-91.60530258,-282.949325,98.37684498,0,0,0,478.2138737,-51.82029414,-133.792669,-49.01627287,-103.7675791,99.28987824,0,0,0,1.718890909,-0.220038281,0.929825587,-0.698242314,-1.036793653,0.165803207,0,0,0,2.077777484,-0.23823144,-1.032347006,-0.294240351,0.259187173,0.266742883,0,0,0,11.97845018,-1.408652992,-5.932812751,-2.064869271,2.210821719,1.206288206,0,0,0,46.93434343,-6.233241506,22.9818641,-16.71166208,-27.8023416,4.298209366,0,0,0,0.027702621,-0.022328697,0.008287253,-0.002288343,-0.004260607,0.005191269,0,0,0,41.08573552,-5.067903266,6.305329366,-5.388547211,-31.43881388,32.79228166,0,0,0,43.47398852,-5.182029414,-8.36204181,-2.883310169,-11.52973101,33.09662608,0,0,0,0.15626281,-0.022003828,0.058114099,-0.041073077,-0.115199295,0.055267736,0,0,0,0.188888862,-0.023823144,-0.064521688,-0.017308256,0.028798575,0.088914294,0,0,0,1.088950016,-0.140865299,-0.370800797,-0.121462898,0.245646858,0.402096069,0,0,0,4.266758494,-0.623324151,1.436366506,-0.983038946,-3.089149066,1.432736455,0,0,0,-0.806013875,0.299150493,-0.082603853,-0.153797965,0.187392688,0,0,0,-0.123349459,0.153467603,-0.131153724,-0.765200221,0.798142743,0,0,0,-0.119198389,-0.192345862,-0.066322651,-0.265209874,0.761297208,0,0,0,-0.140812955,0.371899745,-0.262846146,-0.737215047,0.353684511,0,0,0,-0.126122545,-0.341585455,-0.091631956,0.152463064,0.470722801,0,0,0,-0.129358829,-0.340512229,-0.111541298,0.225581389,0.369251171,0,0,0,-0.146088454,0.336641155,-0.230394794,-0.72400373,0.33579038,0,0,0,1.652560075,0.450718497,0.979064418,1.411412031,0.638699972,0,0,0,0.953514316,0.691691319,1.067106458,1.806331772,0,0,0,0,1.336203053,1.221940615,0.852832358,0.843196614,0,0,0,0,0.84221517,0.334273686,1.263299553,2.194819657,0,0,0,0,1.57794817,1.437570065,0.796092409,0.298425144,0,0,0,0,1.605087362,1.431040504,0.809972776,0.253660124,0,0,0,0,0.809641666,0.370826832,1.256970775,2.177983428,0,0,0,0,11.79834869,6.149174347,9.722901472,12.09834869,2.419669739,6.154759843,0.5,0.186593651,0.03731873,-0.839411009,11.26583768,2.253167536,1.210887466,11.80278736,6.150659259,9.724851983,12.10190605,2.420381211,6.156234017,0.498531158,0.186423005,0.037284601,-0.839868482,11.26689838,2.253379677,1.21093454,15.74719848,7.474604764,11.62642213,15.26840511,3.053681022,7.475760127,-0.797988956,0.022366926,0.004473385,-1.900085965,15.12286808,3.024573616,1.35810402,11.80744586,6.152217728,9.726899468,12.10563962,2.421127923,6.157781241,0.4969896,0.186243884,0.037248777,-0.84034913,11.26801539,2.253603078,1.210984108,19.94352056,8.889466013,14.1872246,18.64476744,3.728953488,8.889719529,-2.164588529,0.145236109,0.029047222,-0.964697261,34.93638974,6.987277948,1.776764486,12.26335396,6.304811164,9.929160899,12.47111498,2.494222996,6.309387835,0.346268372,0.168583851,0.03371677,-0.890161012,11.39711738,2.279423476,1.216680231,10.62322018,5.66530156,9.342424985,10.9080879,2.181617581,5.678554342,1.424338624,0.278145169,0.055629034,-0.639806056,10.1703376,2.034067519,1.159737702,0,11.99654872,15.99825767,-0.351378287,0.27842878,3.407370873,5.523254355,4,10,9,9,3,1,1,0,0,1,7.517242,3.451764342,2.685561269,1.76695755,1.554544364,0.083923071,0.083923071,0.083923071,0.13083574,1.713030543,1.067091218,0.632042865,0.13083574,0.083923071,0.083923071,0.083923071,1.554544364,3.344429971,2.579249452,1.648085347,1.310150333,0.270913902,0.270913902,0.270913902,0.214354486,1.694777381,1.131576631,0.59886669,0.214354486,0.270913902,0.270913902,0.270913902,1.310150333,3.540231915,2.895386823,2.112016863,1.88686224,0.943918427,0.943918427,0.943918427,0.361366908,1.465487858,0.760564716,0.07673133,0.361366908,0.943918427,0.943918427,0.943918427,1.88686224,3.331700264,2.552279323,1.680891406,1.235095928,0.399277246,0.399277246,0.399277246,0.250238568,1.695635016,1.151504046,0.544278513,0.250238568,0.399277246,0.399277246,0.399277246,1.235095928,3.561933145,2.940508988,2.246483262,1.936257527,1.207644823,1.207644823,1.207644823,0.441730862,1.428711151,0.718476481,0.061980464,0.441730862,1.207644823,1.207644823,1.207644823,1.936257527,4.893270339,3.861851048,3.118607155,1.968126156,0.580645161,0.580645161,0.580645161,0.491922505,1.485093051,0.62406654,0.065704968,0.491922505,0.580645161,0.580645161,0.580645161,1.968126156,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.064549722,0,0,0,0.40824829,0,0,0.064549722,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.062568667,1.488391115,0.747291934,0.30245145,0,0,0,0,0.612513733,0.372097779,0.186822983,0.151225725,0,0,0,0,6.05508162,11.32483613,10.8745098,11.08,6.356142515,85.39380719,0.550461965,1.029530557,0.9885918,1.007272727,0.577831138,7.763073381,0.481,17.9268,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,1,0,2,1,1,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.866666667,0,17.09027778,-0.74537037,8.118981481,0,0,0,0,0,0,0,0,0.866666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.880902778,0.5125,0,0,0,0,0,0,0,0,0,0,1.599537037,0,0.222222222,0,0,0,0,0,0,-0.74537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.722222222,9.368055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.866666667,0,7.722222222,-0.74537037,8.118981481,0,0,0,0,0,0,0,0,0.866666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368402778,0.5125,0,0,0,0,0,0,0,0,0,0,1.599537037,0,0.222222222,0,0,0,0,0,0,-0.74537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.722222222,9.368055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.866666667,0,9.368055556,0,8.118981481,0,0,0,0,0,0,0,0,0.866666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,1.599537037,0,0.222222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.722222222,9.368055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.16666667,3.633333333,0.866666667,9.368055556,0.368402778,-0.74537037,0.903208333,2.412037037,2.368055556,8.180555556,2.412037037,2.368055556,8.180555556,2.16666,0.43333,0,0.06667,0.62121,1.00667,0.41765,0.62121,0.88889,0.20357,0,-0.20357,0.11778,0.43046,0.28383,0,0.53846,0.23077,0,4,0.8,2.5,0.5,1.5,0.3,-1,-0.2,0,0,2.41142,0.48228,4.43249,2.02107,0.40421,1.37183,0.27437,2.27005,0.89822,0.17964,0.14395,0.02879,0.14395,0.02879,0,4.02,2,2,2,2,1,1,0.666666667,1.435371391,2.404009757,2.845350937,2.845350937,2.21636337,0.825712634,15.7890853,26.44410733,31.2988603,31.2988603,24.37999707,9.082838972,0.414915382,0.694914663,0.822490874,0.822490874,0.640672692,0.238684479,2.024060228,1.055421861,0.614080682,0.614080682,1.243068249,2.633718985,0.414915382,0.694914663,0.822490874,0.822490874,0.640672692,0.238684479,13.7677779,22.22042631,22.665221,22.665221,15.1173702,0.832173862,19.2185484,13.5925177,13.43527774,13.43527774,9.661352342,1.848150335,5,2.25,4,5,3,3,1.57,0.6057,0,1,0.5,0,0,1,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0.591,0.411,0.402,0.508,0.152,2.372,4,2,0,0,0,0,0,0,0,15,1.791759469,1.945910149,1.386294361,0,0,0,0,0,0,0,2.995732274,1.266666667,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,3,0.75,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,37.3,75.38840728,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,74.03677943,6.730616312,8.696801932,1.739360386,4.626105059,4.626105059,0,18,2,0.173,16,1.2115,2.109004864,2.803453493,3.23392633,4.136937387,0,0,0,0,0,100.9709712,128.594391,93.26208632,43.17726909,4.203393149,0,0,0,0,0,277.3079077,320.7326502,284.0553349,253.7481798,128.5915045,0,0,0,0,0,9.722471055,16.64719323,22.6428559,28.33603865,27.7938649,0,0,0,0,0,1.858257301,2.297691052,2.081461692,1.920427927,1.839335749,0,0,0,0,0,180.6978697,338.1552892,486.611206,585.7330245,764.9927481,0,0,0,0,0,5.166383333,11.68510022,12.35515123,16.33567556,4.136937387,0,0,0,0,0,0.44622456,0.587412972,0.601193131,0.626816897,0.423622388,0,0,0,0,0,317.2139733,207.3570681,22.93986516,162.5963348,-106.2862992,-31.74742307,154.6176385,313.6433673,54.68728822,0.661123715,0.43216468,0.04781028,0.338876285,-0.221517332,-0.066166613,152.2025343,99.49205874,11.00678377,78.01539752,-50.99726196,-15.23274084,0.395572964,0.507171717,17.32924912,20.38002498,320.0848982,159.72541,0.667107173,0.332892827,364.1415534,19.08249338,7.140962408,429.5118217,20.72466699,7.544984881,548.1513504,23.41263228,8.184022778,1.333064655,1.207317258,166.5592181,119.2833894,53.97591031,1.396332037,3.085806561,2.209937521,2.947502909,2.386462198,4.258132667,0.784286661,2.332323244,2.01319305,2.050505119,2.635891981,3.023411458,1.368971833,1.029074077,0.006014956,2.51E-24,2.10E-67,3.40E-132,1.06E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.238006854,2.037222183,0.17613402,1.47858124,0.184698789,0.48974584,0.007524253,6.46E-04,2.80E-25,2.35E-68,3.80E-133,1.19E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.566290908,1.992368186,0.439127843,1.351535383,0.416216101,0.417781306,0.075845862,0.00113412,4.85E-25,4.07E-68,6.59E-133,2.06E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.495221185,2.037214838,2.186145075,3.098760172,3.250034846,1.709171372,0.917847284,0.007461902,3.15E-24,2.64E-67,4.27E-132,1.33E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.740434662,1.975329101,0.581029102,1.276817946,0.545726317,0.363418425,0.164143834,0.001145115,4.80E-25,4.03E-68,6.52E-133,2.04E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.050437795,2.028458756,2.755189919,3.355777558,4.397115793,1.904358924,1.500811907,0.00878436,3.66E-24,3.07E-67,4.97E-132,1.55E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.76865139,2.040595222,2.60650853,5.37378591,4.097392669,3.523618165,0.351388931,0.011737668,5.07E-24,4.25E-67,6.88E-132,2.15E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.002339099,0.791649669,0.302184559,0.646714149,0.255686483,0.54232563,0.401350535,0.363622336,3.096173327,2.429451349,6.004632858,0.470071224,1.307298501,1.964564922,0.771545255,0.045230394,0.706337419,0.277400496,0.671895426,0.3336868,0.008146419,2.781340572,1.639506087,4.489404663,0.559506129,1.013728645,1.751054042,0.703549351,0.148722352,0.672621951,0.270250219,0.443954281,0.316502738,0.088076186,2.603325745,1.597007325,4.383552007,0.508932927,0.848533205,2.032232176,0.848147462,0.277055957,0.64363377,0.268619086,0.562802868,0.463767861,0.305661682,3.157435595,2.521658899,6.156637163,0.465450655,1.332232411,1.725067166,0.658134147,0.208807402,0.665532935,0.253908925,0.408360064,0.279782211,0.173619216,2.592008715,1.632955681,4.462028786,0.498299402,0.861761491,2.054550939,0.818266033,0.316964987,0.644103881,0.256527262,0.570667441,0.428163236,0.400063193,3.189781959,2.591751641,6.314405389,0.466155821,1.39889387,2.022936193,0.860591462,0.276806196,0.640102055,0.272310301,0.558027933,0.47760411,0.305110833,3.160333851,2.539099937,6.181331677,0.460153083,1.340742876 +UMLKV0167,L,N-BUTYRIC ACID,CCCC(=O)O,C4H8O2,Organic Acid,,107-92-6,2.457807555,PubChem,,1.2806,1,-0.4417,0.19509889,20.5788,13.978344,0,0,14,6,8,0,4,0,2,0,0,0,0,0,0,0,1097.120998,917.996949,1079.189597,716.244403,505.39281,110.901168,3.048192,0,0,2375.519116,2761.179655,3201.141703,2667.774434,1641.129948,668.985889,93.25123329,0,0,110.613208,101.983908,167.50442,199.08982,140.17068,77.381568,20.155392,0,0,15.99891124,19.37495816,24.48528024,21.49590346,12.82883242,5.211378036,1.333838715,0,0,2357.421212,1944.111836,3507.785487,4433.559298,3139.255171,1634.063512,554.7529561,0,0,104.2777778,47.41666667,91.5,79.16666667,66.5,43,3,0,0,78.36578557,70.61514992,49.05407259,27.54786165,28.07737833,12.322352,1.016064,0,0,169.6799369,212.398435,145.5064411,102.606709,91.17388598,74.33176544,31.08374443,0,0,7.900943429,7.844916,7.613837273,7.657300769,7.78726,8.597952,6.718464,0,0,1.142779374,1.490381397,1.112967284,0.826765518,0.712712912,0.579042004,0.444612905,0,0,168.3872294,149.5470643,159.4447949,170.5215115,174.403065,181.5626124,184.917652,0,0,7.448412698,3.647435897,4.159090909,3.044871795,3.694444444,4.777777778,1,0,0,0.309678593,-0.222389992,0.125747178,-0.065340737,0.035633753,-0.043738414,0.015248916,0,0,542.6447669,-53.76997608,47.60858737,-75.22168445,8.394056327,-282.1361018,83.80273524,0,0,629.6301992,-55.77123736,-218.814798,-52.14159581,27.07160763,-108.9677849,93.80870889,0,0,1.814294857,-0.179448653,0.97114751,-0.469901878,-0.411361959,-0.932494694,0.114912245,0,0,2.75181886,-0.220612097,-1.32847674,-0.261306399,-0.133625449,0.287302653,0.280808603,0,0,15.67280268,-1.230135652,-7.367001686,-1.692436974,-1.380190069,2.50573084,1.327632203,0,0,49.6031746,-4.575963719,24.92120181,-14.93764172,-8.454081633,-24.61394558,2.858843537,0,0,0.0221199,-0.017106922,0.005715781,-0.002513105,0.001979653,-0.004859824,0.005082972,0,0,38.76034049,-4.136152006,2.164026699,-2.89314171,0.466336463,-31.34845576,27.93424508,0,0,44.97358566,-4.290095181,-9.946127183,-2.005445993,1.503978202,-12.10753166,31.26956963,0,0,0.12959249,-0.013803743,0.044143069,-0.018073149,-0.022853442,-0.103610522,0.038304082,0,0,0.19655849,-0.016970161,-0.060385306,-0.010050246,-0.007423636,0.031922517,0.093602868,0,0,1.119485906,-0.094625819,-0.334863713,-0.06509373,-0.076677226,0.278414538,0.442544068,0,0,3.5430839,-0.351997209,1.132781901,-0.574524682,-0.469671202,-2.734882842,0.952947846,0,0,-0.773372522,0.258399945,-0.113612871,0.08949647,-0.219703699,0.229791818,0,0,-0.106710931,0.055830952,-0.074641803,0.012031279,-0.808776584,0.720691427,0,0,-0.095391442,-0.221154863,-0.044591641,0.033441367,-0.269214284,0.695287449,0,0,-0.106516532,0.340629837,-0.139461393,-0.176348508,-0.799510232,0.295573314,0,0,-0.086336445,-0.307212913,-0.051131071,-0.037768076,0.162407215,0.476208723,0,0,-0.084526137,-0.299122759,-0.058146091,-0.068493248,0.248698565,0.395310084,0,0,-0.099347692,0.319716364,-0.162153846,-0.13256,-0.771893333,0.26896,0,0,1.64820884,0.453292215,0.880268613,0.987899807,1.829817161,0.821107139,0,0,1.017240467,0.808322427,0.978534621,0.941628112,1.955730485,0,0,0,1.372421864,1.300025074,0.908133441,0.747420584,0.832547129,0,0,0,0.810999378,0.314870138,1.030410792,1.245007479,2.70322776,0,0,0,1.557169887,1.458466872,0.876660805,0.735611396,0.292926025,0,0,0,1.575555579,1.446298133,0.875006132,0.760044629,0.252028421,0,0,0,0.77112,0.338685455,1.071,1.198166667,2.67904,0,0,0,18.80362337,9.651811683,15.52991746,19.1369567,3.189492783,9.652002013,0.5,0.183291417,0.030548569,-1.01800677,46.02006983,7.670011638,2.297446561,18.80835195,9.653441555,15.53201533,19.14070606,3.190117676,9.6536315,0.498531158,0.183157094,0.030526182,-1.018446635,45.80942715,7.634904524,2.294693942,23.02466437,11.11333771,17.5069055,22.49267174,3.748778623,11.11337304,-0.797988956,0.060855604,0.010142601,-1.679550819,20.29341848,3.382236414,1.806177972,18.81331477,9.655152186,15.53421737,19.14464117,3.190773529,9.655341728,0.4969896,0.183016112,0.030502685,-1.018908653,45.59203398,7.59867233,2.291839805,27.53373971,12.68457559,19.89385131,26.09068069,4.348446781,12.6845823,-2.164588529,0.073693558,0.01228226,-1.564703931,20.79271118,3.465451863,1.820761501,19.29922294,9.822745658,15.75112062,19.53006852,3.255011421,9.822899924,0.346268372,0.169185525,0.028197588,-1.06605563,33.7690471,5.628174517,2.11172677,18.31908117,9.435077897,15.75712913,18.69620957,3.116034928,9.435418023,1.428571429,0.259283621,0.043213937,-0.809899653,21.81659417,3.636099028,1.849602528,0,11.99646145,15.99825808,-0.351365017,0.278687302,3.564558108,6.152008013,5,13,12,12,4,1,1,0,0,1,9.703656,3.489945488,2.96087441,2.121390608,1.728015196,1.332142786,0.083923071,0.083923071,0.083923071,1.791819956,1.31338059,0.814420802,0.582300851,0.13069606,0.083923071,0.083923071,0.083923071,3.416932706,2.865844514,2.09235737,1.45941179,1.29467941,0.270913902,0.270913902,0.270913902,1.756325568,1.330094087,0.834453439,0.483350686,0.211748192,0.270913902,0.270913902,0.270913902,3.588975997,3.1269141,2.455032776,1.982795269,1.830131695,0.943918427,0.943918427,0.943918427,1.546853749,1.021201338,0.392662802,0.050219084,0.363648239,0.943918427,0.943918427,0.943918427,3.41576485,2.845809787,2.099526041,1.508376409,1.230953356,0.399277246,0.399277246,0.399277246,1.744072397,1.341670456,0.807584684,0.411650308,0.237864574,0.399277246,0.399277246,0.399277246,3.621078359,3.163313234,2.557294285,2.103230243,1.924129899,1.207644823,1.207644823,1.207644823,1.503128929,0.980438764,0.302139498,0.21802599,0.447986619,1.207644823,1.207644823,1.207644823,5.003263371,3.975216568,3.305384838,2.494820877,1.681406712,0.6,0.6,0.6,1.606448855,0.949530979,0.330179051,0.104969836,0.521096683,0.6,0.6,0.6,0,0,1,0,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.064549722,0,0,0,0.288675135,0.288675135,0,0.045643546,0.045643546,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,3.769675448,1.988391115,1.143738543,0.463865471,0.213865471,0,0,0,0.628279241,0.397678223,0.228747709,0.154621824,0.106932736,0,0,0,7.596909424,14.21267298,13.6,13.84,8.154697006,108.4220623,0.542636387,1.015190927,0.971428571,0.988571429,0.582478358,7.74443302,0.8711,22.5438,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,1,0,2,1,1,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,3,1,0,0,0,0,0,0,0,0,0,0,1,0,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.826666667,0,17.51277778,-0.710648148,7.935425926,0,0,0,0,0,0,0,0,0.826666667,0,0,0,0,0,0,0,0,0,0,0,0,0,1.186527778,0.5125,0,0,0,0,0,0,0,0,0,0,1.841388889,0,1.023148148,0,0,0,0,0,0,-0.710648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.913472222,9.599305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.826666667,0,7.913472222,-0.710648148,7.935425926,0,0,0,0,0,0,0,0,0.826666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305625,0.5125,0,0,0,0,0,0,0,0,0,0,1.841388889,0,0.291666667,0,0,0,0,0,0,-0.710648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.913472222,9.599305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.826666667,0,9.599305556,0,7.935425926,0,0,0,0,0,0,0,0,0.826666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,1.841388889,0,0.731481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.913472222,9.599305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.66666667,3.277777778,0.826666667,9.599305556,0.305625,-0.710648148,1.388838796,2.377314815,2.599305556,9.025555556,2.377314815,2.599305556,9.025555556,2.66666,0.44444,0,0.05556,0.58095,0.95556,0.42,0.58095,0.86191,0.16095,0,-0.16095,0.09365,0.46511,0.24918,0,0.4375,0.1875,0,4.5,0.75,3,0.5,1.5,0.25,-1.5,-0.25,0,0,3.49584,0.58264,5.69868,2.20285,0.36714,1.87183,0.31197,2.77005,0.89822,0.1497,0.14395,0.02399,0.14395,0.02399,0,5.02,2,2,2,2,1,1,0.75,1.378783493,2.403677461,3.182005815,3.182005815,2.910051892,1.965093343,19.30296891,33.65148445,44.54808141,44.54808141,40.74072648,27.5113068,0.362136843,0.631324768,0.835752348,0.835752348,0.764323776,0.516130853,2.428571429,1.403677461,0.625349107,0.625349107,0.89730303,1.842261579,0.362136843,0.631324768,0.835752348,0.835752348,0.764323776,0.516130853,13.07637292,22.53154235,23.31596115,23.31596115,20.05251407,13.12143098,22.5008675,14.65011084,14.1829945,14.1829945,12.55127096,8.485722478,6,3.2,5.333333333,6,3,4,1.68,0.7466,0,1.414213562,0.333333333,0,1,1.414213562,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0.591,0.411,0.402,0.508,0.152,2.871,5,3,2,0,0,0,0,0,0,21,1.945910149,2.079441542,1.609437912,1.386294361,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,37.3,92.6843919,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,88.0524295,6.28945925,10.67917749,1.779862916,4.695140653,4.695140653,0,32,3,0.742,20,1.220307692,2.123168042,2.829299566,3.40898646,4.686289054,4.89630384,0,0,0,0,96.64418046,114.6821119,87.61676319,119.5514455,59.80161923,4.974958065,0,0,0,0,282.5768482,328.8753896,309.343149,354.1682692,354.5942167,152.1954572,0,0,0,0,9.580981942,16.31662844,21.78679261,26.90434383,40.69054387,32.89564108,0,0,0,0,1.946832103,2.461441395,2.428655988,2.636143582,2.71704412,2.176959873,0,0,0,0,180.0720994,335.8237518,480.4987635,585.8591986,851.3570204,905.4130097,0,0,0,0,4.494583333,9.417392711,8.935437966,13.81682577,23.09537464,4.89630384,0,0,0,0,0.450244085,0.593742378,0.620381076,0.736377845,0.884461493,0.501381513,0,0,0,0,269.7415958,191.3117708,13.09559332,214.8506091,-152.3808382,-32.86830336,54.89098677,343.692609,45.96389668,0.556636267,0.394789204,0.027023945,0.443363733,-0.314451691,-0.067826727,130.7146747,92.70819283,6.346022442,104.1149304,-73.84256638,-15.9277236,0.364955438,0.467431687,3.213659786,18.25064747,369.4238071,115.1683978,0.762339558,0.237660442,426.2231226,20.6451719,7.525678633,510.967463,22.60458942,7.994618584,662.9070979,25.74698231,8.719352253,1.575176954,1.39766347,302.7262936,251.2664738,61.4891344,1.204801775,4.923248579,4.086355684,3.454721728,3.220194404,5.446702271,0.691420327,2.890124351,2.961710358,1.502352346,7.526657343,3.661480989,0.425407756,2.249724116,3.062976294,0.009573698,1.511694148,1.01E-13,1.31E-48,3.29E-105,1.59E-183,1.48E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.284819236,2.985697385,0.103639171,2.605647893,0.185827127,0.379431344,0.222610891,0.28631807,0.009531931,0.168333671,1.13E-14,1.47E-49,3.68E-106,1.78E-184,1.65E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.717406982,2.940846281,0.348564243,2.79552847,0.454399811,0.229562677,0.398960623,0.750491471,0.005291413,0.291985479,1.96E-14,2.55E-49,6.37E-106,3.08E-184,2.87E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.021739928,2.985727551,1.402532531,7.889013147,3.816225887,0.506672284,2.360114611,3.212597261,0.011704589,1.896459301,1.27E-13,1.65E-48,4.13E-105,2.00E-183,1.86E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.963151951,2.923810874,0.528767834,2.998962867,0.636948498,0.181202925,0.517439876,1.009433091,0.003818605,0.289663096,1.94E-14,2.52E-49,6.31E-106,3.05E-184,2.84E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.724063413,2.976995367,1.888649206,9.946657018,5.338658036,0.525955097,3.158418345,3.959227168,0.012185801,2.207829491,1.48E-13,1.92E-48,4.81E-105,2.32E-183,2.16E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.257517027,2.94718226,0.809688395,9.743870868,4.593588644,0.972525579,2.686317323,3.794658663,0.03192275,3.253994228,2.19E-13,2.84E-48,7.11E-105,3.43E-183,3.20E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.995379501,0.860210348,0.355408725,0.711322849,0.204277046,0.551057685,0.485927092,0.428556671,4.210998574,3.946966716,9.073731472,0.566984273,1.465541448,3.416838266,0.682058035,0.056926066,0.822181019,0.164121075,0.765309241,0.303763774,0.010994473,4.155822366,2.563816032,6.852303568,0.733271528,1.080067489,2.89916667,0.671524894,0.177439565,0.773496596,0.179162594,0.528245435,0.313987621,0.106820109,3.748131129,2.580444549,6.674026129,0.660244894,0.949053165,3.118086166,0.887649975,0.330456898,0.7190838,0.204707209,0.599461698,0.533156719,0.370494473,4.336193039,4.091492246,9.342313679,0.578625699,1.50311289,2.730919257,0.678152188,0.243625561,0.747644618,0.185657936,0.461198609,0.314855258,0.201371403,3.652697007,2.682515814,6.786402213,0.621466927,0.97742527,3.051919203,0.894004547,0.373689738,0.706525992,0.206964014,0.571789716,0.521397317,0.4737775,4.319613487,4.202980854,9.542180499,0.559788988,1.566964534,3.121294292,0.897939265,0.329978083,0.717668982,0.206460237,0.601397826,0.548472064,0.369421596,4.349211641,4.128991689,9.403043695,0.576503474,1.519291487 +UMLKV0168,L,2-METHYLPROPIONIC ACID,CC(C)C(=O)O,C4H8O2,Organic Acid,,79-31-2,2.444401088,PubChem,,1.087,1,0.4945,0.24453025,22.3059,13.978344,0,0,14,6,8,0,4,0,2,0,0,0,0,0,0,0,1097.120998,917.996949,1200.255606,980.52546,227.89872,6.096384,0,0,0,2375.519116,2761.179655,3426.269117,3135.03738,1524.474245,186.5024666,0,0,0,110.613208,101.983908,167.528136,201.38904,195.07392,40.310784,0,0,0,15.99891124,19.37495816,25.49170453,24.10541742,13.0904335,2.667677429,0,0,0,2357.421212,1944.111836,3513.2524,4269.025176,4377.632936,1109.505912,0,0,0,105.5555556,48.55555556,91.33333333,101.3333333,92,6,0,0,0,78.36578557,70.61514992,54.557073,37.71251769,9.49578,1.016064,0,0,0,169.6799369,212.398435,155.7395053,120.5783608,63.51976019,31.08374443,0,0,0,7.900943429,7.844916,7.614915273,7.745732308,8.12808,6.718464,0,0,0,1.142779374,1.490381397,1.158713842,0.927131439,0.545434729,0.444612905,0,0,0,168.3872294,149.5470643,159.6932909,164.193276,182.4013723,184.917652,0,0,0,7.53968254,3.735042735,4.151515152,3.897435897,3.833333333,1,0,0,0,0.309736833,-0.229273003,0.11245781,0.025324402,-0.094880373,0.031502748,0,0,0,542.6447669,-53.76997608,168.6745964,-157.165741,-396.6667332,167.6054705,0,0,0,629.6301992,-55.77123736,6.312615424,-422.6557434,-30.3181521,187.6174178,0,0,0,1.814294857,-0.179448653,0.99486351,-0.317221878,-1.635164898,0.22982449,0,0,0,2.75181886,-0.220612097,-0.322052455,-2.531084594,1.136222511,0.561617205,0,0,0,15.67280268,-1.230135652,-1.900088998,-15.02816718,7.666726085,2.655264405,0,0,0,49.55555556,-6.111111111,24.66666667,-5.333333333,-44,6,0,0,0,0.022124059,-0.017636385,0.005111719,9.74E-04,-0.003953349,0.005250458,0,0,0,38.76034049,-4.136152006,7.667027108,-6.044836193,-16.52778055,27.93424508,0,0,0,44.97358566,-4.290095181,0.286937065,-16.25599013,-1.263256337,31.26956963,0,0,0,0.12959249,-0.013803743,0.045221069,-0.012200841,-0.068131871,0.038304082,0,0,0,0.19655849,-0.016970161,-0.014638748,-0.097349407,0.047342605,0.093602868,0,0,0,1.119485906,-0.094625819,-0.086367682,-0.57800643,0.31944692,0.442544068,0,0,0,3.53968254,-0.47008547,1.121212121,-0.205128205,-1.833333333,1,0,0,0,-0.797158626,0.231047952,0.04402517,-0.178690031,0.237318921,0,0,0,-0.106710931,0.197805979,-0.155954156,-0.426409581,0.720691427,0,0,0,-0.095391442,0.006380124,-0.361456395,-0.028088851,0.695287449,0,0,0,-0.106516532,0.34894822,-0.094147751,-0.525739345,0.295573314,0,0,0,-0.086336445,-0.074475277,-0.49526941,0.240857592,0.476208723,0,0,0,-0.084526137,-0.077149414,-0.516314164,0.285351444,0.395310084,0,0,0,-0.132804415,0.316754994,-0.057951018,-0.51793722,0.282511211,0,0,0,1.67320559,0.479221032,0.905473857,1.261442032,0.814755927,0,0,0,1.017240467,0.676488473,1.064999184,1.466797864,0,0,0,0,1.372421864,1.088742586,1.31616656,0.624410347,0,0,0,0,0.810999378,0.307145925,0.963142233,2.02742082,0,0,0,0,1.557169887,1.242353353,1.467398049,0.219694518,0,0,0,0,1.575555579,1.240180027,1.488357897,0.189021316,0,0,0,0,0.80044843,0.349775785,0.947309417,2.011210762,0,0,0,0,16.69056635,8.595283176,12.75631081,17.02389969,2.837316614,8.595804053,0.5,0.133970918,0.022328486,-1.206079518,15.10160892,2.51693482,1.628880773,16.69528992,8.596910537,12.75856814,17.02764402,2.83794067,8.597430353,0.498531158,0.133787746,0.022297958,-1.206900433,15.10135455,2.516892426,1.628870667,20.9133188,10.05766492,14.93714982,20.38132617,3.396887694,10.05776085,-0.797988956,0.030447233,0.005074539,-2.095056099,16.72420491,2.787367485,1.690114239,16.70024749,8.598618544,12.7609377,17.03157389,2.838595648,8.599137249,0.4969896,0.133595493,0.022265916,-1.207763251,15.10109142,2.51684857,1.628860212,25.43127645,11.63334396,17.68011222,23.98821743,3.998036239,11.6333621,-2.164588529,0.185282869,0.030880478,-1.011522961,35.76965216,5.961608694,2.146259897,17.18575331,8.76601084,12.99501138,17.41659889,2.902766482,8.766432485,0.346268372,0.114740847,0.019123475,-1.299047517,15.09463309,2.515772181,1.628603554,17.90768802,9.284078895,14.32338807,18.35629913,3.059383189,9.284437909,1.345833333,0.227728994,0.037954832,-0.887759389,14.33347556,2.388912593,1.59755865,0,11.99646145,15.99825808,-0.351089835,0.281201843,3.721745607,6.780753005,5,13,12,12,4,1,1,0,0,1,9.703656,3.531072946,2.796612855,2.333552793,1.745195542,1.183620581,0.083923071,0.083923071,0.083923071,1.795622712,1.249629723,0.989492395,0.453211985,0.102347674,0.083923071,0.083923071,0.083923071,3.458149749,2.632645623,2.405454588,1.406389447,1.172475755,0.270913902,0.270913902,0.270913902,1.770314542,1.134540686,1.130669041,0.394601444,0.131735633,0.270913902,0.270913902,0.270913902,3.619992602,2.953811093,2.704236987,1.990823638,1.65662584,0.943918427,0.943918427,0.943918427,1.571504506,0.760644543,0.76031856,0.175056326,0.428920395,0.943918427,0.943918427,0.943918427,3.453480989,2.581947424,2.457539916,1.388115029,1.161820287,0.399277246,0.399277246,0.399277246,1.763316771,1.179136685,1.058262671,0.38099281,0.103606685,0.399277246,0.399277246,0.399277246,3.646597081,2.97132877,2.838982085,2.05899281,1.794206632,1.207644823,1.207644823,1.207644823,1.534717415,0.745537483,0.631337262,0.307320169,0.543516051,1.207644823,1.207644823,1.207644823,4.841232793,3.808089036,3.262194409,2.612600818,1.553791645,0.571428571,0.571428571,0.571428571,1.627264144,0.898315104,0.461430911,0.133425071,0.489962101,0.571428571,0.571428571,0.571428571,0,0,1,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0.666666667,0,0.333333333,0,0.341379762,0,0.052704628,0,1.333333333,0,0,0.35235983,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,3.932812155,1.871106616,1.492938206,0.49390115,0,0,0,0,0.655468693,0.374221323,0.248823034,0.123475288,0,0,0,0,7.596909424,14.21267298,13.6,13.84,8.154697006,108.4220623,0.542636387,1.015190927,0.971428571,0.988571429,0.582478358,7.74443302,0.727,22.4738,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,24,1,0,2,1,1,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,3,1,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.804166667,0,17.68981481,-0.740740741,7.799672068,0,0,0,0,0,0,0,0,0.804166667,0,0,0,0,0,0,0,0,0,0,0,0,0,1.249305556,0.5125,0,0,0,0,0,0,0,0,0,0,3.282407407,0,0,0,0,0,-0.231481481,0,0,-0.740740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.990740741,9.699074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.804166667,0,7.990740741,-0.740740741,7.799672068,0,0,0,0,0,0,0,0,0.804166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368402778,0.5125,0,0,0,0,0,0,0,0,0,0,1.641203704,0,0,0,0,0,-0.231481481,0,0,-0.740740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.990740741,9.699074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.804166667,0,9.699074074,0,7.799672068,0,0,0,0,0,0,0,0,0.804166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,1.641203704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.990740741,9.699074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20,3.333333333,0.804166667,9.699074074,0.368402778,-0.740740741,1.424064815,2.407407407,2.699074074,9.37962963,2.407407407,2.699074074,9.37962963,2.66666,0.44444,0,0.05556,0.58095,0.95556,0.42,0.58095,0.86191,0.16095,0,-0.16095,0.09365,0.46511,0.24918,0,0.625,0.375,0,4.5,0.75,3,0.5,1.5,0.25,-1.5,-0.25,0,0,3.78124,0.63021,6.13075,2.3495,0.39158,1.77037,0.29506,2.64272,0.87235,0.14539,0.27128,0.04521,0.27128,0.04521,0,5.02,2,2,2,2,1,1,0.75,1.378783493,2.260820318,2.556656707,2.556656707,2.012748861,0.795836389,19.30296891,31.65148445,35.7931939,35.7931939,28.17848406,11.14170945,0.362136843,0.593803405,0.671504695,0.671504695,0.528647553,0.209026058,2.428571429,1.546534604,1.250698215,1.250698215,1.794606061,3.011518533,0.362136843,0.593803405,0.671504695,0.671504695,0.528647553,0.209026058,13.07637292,20.81725664,21.11540795,21.11540795,14.5885138,0.802063835,22.5008675,16.1992722,16.11452093,16.11452093,12.85107385,3.415248721,6,2.222222222,3,6,3,3,1.68,0.7466,0.5,0,2.828427125,0,0,0,0,1,0,0,0.5,0,0,0,0,0,0,0,0,0.591,0.429,0.422,0.469,0.137,2.643,6,4,0,0,0,0,0,0,0,21,1.945910149,2.197224577,1.945910149,0,0,0,0,0,0,0,3.295836866,1.238095238,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,3,0.5,2,0.888888889,0,0,0,0,0,0,0,0,0.4,0.148148148,0,0,0,0,0,0,0,0,0.548148148,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,37.3,92.6843919,3.584962501,3.135494216,3.761200116,4.465908119,5.141663557,5.837730447,6.52649486,7.220373837,7.912423121,8.605753368,63.60704164,2.397895273,0,3.555348061,0,4.875197323,0,6.244166901,0,7.626082758,7.917536354,88.0524295,6.28945925,10.52364588,1.75394098,4.650711829,4.650711829,0,29,4,0.466,22,1.220307692,2.121828682,2.875403135,3.346780198,3.40272588,0,0,0,0,0,96.64418046,128.6804562,115.6305972,32.56965542,3.457387268,0,0,0,0,0,282.5768482,356.6069922,357.335495,213.8896526,105.7694616,0,0,0,0,0,9.580981942,16.32133326,22.40683202,27.394257,22.86109133,0,0,0,0,0,1.946832103,2.593148975,2.702301852,1.812476074,1.512895838,0,0,0,0,0,180.0720994,335.3165849,470.8133107,611.4097666,629.2240802,0,0,0,0,0,4.58625641,9.442034043,11.69203199,13.18068652,3.40272588,0,0,0,0,0,0.450244085,0.618317886,0.708258043,0.555959158,0.34843913,0,0,0,0,0,314.5657744,221.4637238,20.65233444,159.2323272,-112.1043261,-30.27339822,155.3334471,333.5680498,50.92573265,0.66392367,0.467422143,0.043588892,0.33607633,-0.236607799,-0.063895145,149.0406667,104.9290919,9.785036849,75.44397436,-53.11481686,-14.3434786,0.371334689,0.470607037,15.00619814,17.06119677,328.4340406,145.364061,0.693194083,0.306805917,426.2231226,20.6451719,7.525678633,510.967463,22.60458942,7.994618584,698.12774,26.42210703,8.87111682,1.069362819,1.069362819,219.9314532,142.8457175,106.605114,1.539643309,2.063047869,1.33995183,3.267668524,2.386462198,4.300072889,0.801860885,2.890124351,2.961688981,2.775895038,6.798436552,2.71440368,2.612303112,1.912627385,0.024407832,5.32E-22,2.95E-63,3.16E-126,6.54E-211,2.608653E-317,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.284819236,2.985697235,0.198469316,3.545956917,0.158626222,1.183284155,0.040647087,0.002701723,5.95E-23,3.29E-64,3.53E-127,7.31E-212,2.91616E-318,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.717406982,2.940844712,0.536651795,3.764538246,0.3655876,0.843159679,0.171576696,0.004695809,1.03E-22,5.70E-64,6.12E-127,1.27E-211,5.05163E-318,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.021739928,2.985708505,2.844263231,6.986413191,2.854384717,3.05447098,1.798828448,0.030563815,6.69E-22,3.70E-63,3.97E-126,8.21E-211,3.276565E-317,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.963151951,2.923807466,0.750468983,3.981338396,0.498712235,0.728324837,0.313303804,0.004671906,1.02E-22,5.65E-64,6.06E-127,1.25E-211,5.00206E-318,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.724063413,2.976964191,3.756853822,8.102963568,3.932305428,3.588897149,2.7899314,0.035647316,7.77E-22,4.30E-63,4.61E-126,9.55E-211,3.8099605E-317,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.076090061,2.609011962,2.757585471,8.111877547,3.22368385,6.062304084,1.131045351,0.053400109,1.22E-21,6.73E-63,7.22E-126,1.49E-210,5.9626347E-317,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.754574496,1.292722258,0.490639357,0.495931651,0.365388808,0.539177216,0.472138847,0.42129436,3.537936111,3.763301224,8.414094488,0.291980688,1.432610423,1.883872084,1.061106897,0.16833319,0.605102213,0.340828943,1.00377046,0.257108029,0.040668888,3.11331217,2.494727366,5.944535842,0.418896734,1.301547377,1.460178716,1.220987564,0.299061921,0.489955338,0.409695997,0.439466769,0.37163361,0.152484528,2.980228201,2.584694792,6.098108546,0.349477003,0.963584907,1.745512625,1.376551997,0.472311204,0.485623293,0.382973864,0.515917662,0.501638097,0.37971522,3.594375826,3.877374991,8.606614931,0.302895735,1.397270979,1.462476022,1.174494223,0.361157643,0.487796411,0.391742536,0.368806418,0.381993822,0.233634455,2.998127887,2.670031595,6.288509,0.31930842,0.984434695,1.805921774,1.320048892,0.51250576,0.496340106,0.362802651,0.57083071,0.491671843,0.457203587,3.638476425,3.985983007,8.846224493,0.288714135,1.519706141,1.739257639,1.388632461,0.473444823,0.482948039,0.385588259,0.512908511,0.511381486,0.380625856,3.601334923,3.89607299,8.640866932,0.302804446,1.404915852 +UMLKV0169,L,N-PENTANOIC ACID,CCCCC(=O)O,C5H10O2,Organic Acid,,109-52-4,2.615230371,PubChem,,1.719,1,-0.7297,0.53246209,23.4904,17.07193,0,0,17,7,10,0,5,0,2,0,0,0,0,0,0,0,1243.417247,1086.475246,1272.898134,913.001132,702.149539,505.39281,110.901168,3.048192,0,2861.203507,3414.169789,4114.688815,3674.572779,2647.928293,1641.129948,668.985889,93.25123329,0,131.590652,123.759688,210.233928,261.97472,203.05558,140.17068,77.381568,20.155392,0,19.67703705,24.39094678,32.17297039,30.51743232,21.85036128,12.82883242,5.211378036,1.333838715,0,2854.050872,2377.151287,4431.987686,5912.514453,4618.210326,3139.255171,1634.063512,554.7529561,0,108.5277778,52.66666667,100.75,91.33333333,74.16666667,66.5,43,3,0,73.142191,67.90470288,45.46064764,26.08574663,26.00553848,28.07737833,12.322352,1.016064,0,168.3060886,213.3856118,146.953172,104.9877937,98.07141824,91.17388598,74.33176544,31.08374443,0,7.740626588,7.7349805,7.508354571,7.484992,7.520577037,7.78726,8.597952,6.718464,0,1.157472768,1.524434174,1.149034657,0.871926638,0.80927264,0.712712912,0.579042004,0.444612905,0,167.8853454,148.5719555,158.2852745,168.9289844,171.0448269,174.403065,181.5626124,184.917652,0,6.383986928,3.291666667,3.598214286,2.60952381,2.74691358,3.694444444,4.777777778,1,0,0.314025853,-0.222028529,0.124492293,-0.070097327,0.009194879,0.030223104,-0.044037835,0.015240489,0,629.8202065,-55.97742397,-2.352174069,-67.93933062,16.03948208,0.067704913,-279.7430675,74.99470598,0,780.5766247,-58.3553712,-300.4805419,-54.60612237,23.51047673,21.38210638,-112.0838534,90.34499343,0,1.881607059,-0.154837232,0.985180374,-0.348591474,-0.266060623,-0.393299709,-0.850135031,0.086940166,0,3.424768994,-0.209275537,-1.638878099,-0.241023246,-0.107220096,-0.112162781,0.306072739,0.290102523,0,19.34959846,-1.115657181,-8.944368979,-1.467975341,-1.091186195,-1.170707806,2.705849123,1.409247151,0,51.38888889,-3.555555556,25.88888889,-11.02777778,-9.25,-7.75,-22.08333333,2.083333333,0,0.018472109,-0.013876783,0.004446153,-0.002002781,3.41E-04,0.001679061,-0.004893093,0.005080163,0,37.04824744,-3.498588998,-0.084006217,-1.941123732,0.594054892,0.003761384,-31.08256306,24.99823533,0,45.91627204,-3.6472107,-10.73144793,-1.560174925,0.870758398,1.187894799,-12.45376149,30.11499781,0,0.110682768,-0.009677327,0.035185013,-0.009959756,-0.009854097,-0.021849984,-0.094459448,0.028980055,0,0.201457,-0.013079721,-0.058531361,-0.006886378,-0.003971115,-0.006231266,0.034008082,0.096700841,0,1.138211674,-0.069728574,-0.319441749,-0.041942153,-0.040414304,-0.065039323,0.300649903,0.46974905,0,3.022875817,-0.222222222,0.924603175,-0.315079365,-0.342592593,-0.430555556,-2.453703704,0.694444444,0,-0.751228951,0.240695489,-0.108421879,0.01843596,0.09089711,-0.264890859,0.275018036,0,-0.09443332,-0.002267482,-0.052394482,0.016034629,1.02E-04,-0.838975261,0.67474812,0,-0.079431769,-0.233717753,-0.033978693,0.018964048,0.025870889,-0.271227627,0.655867658,0,-0.087433005,0.317890616,-0.089984706,-0.089030093,-0.197410891,-0.853425059,0.261829875,0,-0.064925622,-0.290540218,-0.03418287,-0.019711972,-0.030930996,0.168810625,0.480007352,0,-0.061261517,-0.280652322,-0.036849167,-0.035506843,-0.057141676,0.264142347,0.412707988,0,-0.073513514,0.305868726,-0.10423166,-0.113333333,-0.142432432,-0.811711712,0.22972973,0,1.645162172,0.454241603,0.817644412,0.870276024,1.213882876,2.222616398,0.996731317,0,1.06866407,0.893163936,0.946574285,0.893497407,0.998516108,2.073884974,0,0,1.395437207,1.343671862,0.933423541,0.836496784,0.742013306,0.826523995,0,0,0.794590982,0.30800176,0.919911515,0.9999383,1.477500126,3.208028403,0,0,1.545060049,1.469099008,0.912701831,0.833264399,0.727467573,0.289683092,0,0,1.558703373,1.455749266,0.906305639,0.839980059,0.757688043,0.251246984,0,0,0.749189189,0.321698842,0.950362934,1.017657658,1.423423423,3.182702703,0,0,27.33600128,13.91800064,22.51980022,27.69314414,3.956163448,13.91800361,0.5,0.168798362,0.024114052,-1.245335281,22.87910227,3.268443181,2.19115675,27.34095824,13.9197447,22.52200927,27.69705192,3.956721703,13.91974766,0.498531158,0.168686049,0.024098007,-1.245801191,22.88120176,3.268743109,2.191220983,31.77082286,15.48641695,24.57618298,31.20083075,4.457261535,15.48641746,-0.797988956,0.067207903,0.009601129,-1.889975108,26.68231782,3.811759689,2.298800764,27.34616077,13.92157519,22.52432795,27.70115335,3.957307621,13.92157815,0.4969896,0.168568171,0.024081167,-1.246290525,22.88340862,3.269058374,2.191288494,36.52791938,17.18166543,26.979277,34.98178472,4.997397817,17.18166551,-2.164588529,0.0441712,0.006310171,-2.183777603,83.91381563,11.98768795,3.100853187,27.85567337,14.10097087,22.75243667,28.10300792,4.014715417,14.10097326,0.346268372,0.157012862,0.022430409,-1.295999289,23.11680602,3.30240086,2.19839192,27.47565624,13.96602295,23.30341697,27.92906779,3.989866826,13.96602693,1.431111111,0.235079139,0.033582734,-1.013483141,21.13325431,3.01903633,2.135593484,0,11.99640053,15.99825848,-0.351366704,0.278700745,3.643151604,6.582638449,6,16,15,15,5,1,1,0,0,1,11.89007,3.512188218,3.126371802,2.468781401,1.803228947,1.671987521,1.223727413,0.083923071,0.083923071,1.839280623,1.475267397,1.022044236,0.702913477,0.552412352,0.130693917,0.083923071,0.083923071,3.462099329,3.046554575,2.425018841,1.787646694,1.378210565,1.277096774,0.270913902,0.270913902,1.795183625,1.464533846,1.032541536,0.664679862,0.424156926,0.211363264,0.270913902,0.270913902,3.619621343,3.272556109,2.729304946,2.192106376,1.936396402,1.783175705,0.943918427,0.943918427,1.597174428,1.193759105,0.657355626,0.182121348,0.114135447,0.364031879,0.943918427,0.943918427,3.46775708,3.034617156,2.422555647,1.822359113,1.424167551,1.229408001,0.399277246,0.399277246,1.775177612,1.46601609,1.019894145,0.605299903,0.345825096,0.231786432,0.399277246,0.399277246,3.658611115,3.30812968,2.8054418,2.329516634,2.033833661,1.917311348,1.207644823,1.207644823,1.549627062,1.150422936,0.589026459,0.051640088,0.294256411,0.450612156,1.207644823,1.207644823,5.07363674,4.046957836,3.405257119,2.823056628,2.08482716,1.571898111,0.612244898,0.612244898,1.675675786,1.168642687,0.607253546,0.20069373,0.127533404,0.539506914,0.612244898,0.612244898,0,0,1,0,0,1,3,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.064549722,0,0,0,0.288675135,0.204124145,0.204124145,0.045643546,0.032274861,0.032274861,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,4.47678223,2.488391115,1.497291934,0.744195557,0.32800242,0.151225725,0,0,0.639540319,0.414731852,0.249548656,0.186048889,0.10933414,0.075612863,0,0,9.138737228,17.10050983,16.3254902,16.6,9.953251497,131.4503174,0.537572778,1.005912343,0.960322953,0.976470588,0.585485382,7.73237161,1.2612,27.1608,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,1,0,2,1,1,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,1,0,3,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.798888889,0,17.80277778,-0.692731481,7.795713117,0,0,0,0,0,0,0,0,0.798888889,0,0,0,0,0,0,0,0,0,0,0,0,0,1.459027778,0.5125,0,0,0,0,0,0,0,0,0,0,1.975138889,0,2.081481481,0,0,0,0,0,0,-0.692731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.044583333,9.758194444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.798888889,0,8.044583333,-0.692731481,7.795713117,0,0,0,0,0,0,0,0,0.798888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2725,0.5125,0,0,0,0,0,0,0,0,0,0,1.975138889,0,0.315972222,0,0,0,0,0,0,-0.692731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.044583333,9.758194444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.798888889,0,9.758194444,0,7.795713117,0,0,0,0,0,0,0,0,0.798888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,1.975138889,0,0.964583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.044583333,9.758194444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.16666667,3.023809524,0.798888889,9.758194444,0.2725,-0.692731481,1.954209213,2.359398148,2.758194444,9.605555556,2.359398148,2.758194444,9.605555556,3.16666,0.45238,0,0.04762,0.5549,0.91905,0.42174,0.5549,0.84167,0.13316,0,-0.13316,0.07738,0.49223,0.22206,0,0.36842,0.1579,0,5,0.71429,3.5,0.5,1.5,0.21429,-2,-0.28571,0,0,4.67244,0.66749,7.02591,2.35347,0.33621,2.37183,0.33883,3.27005,0.89822,0.12832,0.14395,0.02056,0.14395,0.02056,0,6.02,2,2,2,2,1,1,0.8,1.332820405,2.291620193,3.219528282,3.337175341,3.4548224,2.973944419,22.65794688,38.95754329,54.7319808,56.7319808,58.7319808,50.55705512,0.326075235,0.560646123,0.78765934,0.816441756,0.845224173,0.727577114,2.754642437,1.795842648,0.867934559,0.7502875,0.632640441,1.113518423,0.326075235,0.560646123,0.78765934,0.816441756,0.845224173,0.727577114,12.49498498,21.4380538,23.66641985,22.49179045,23.90355516,18.13301938,25.89308809,17.14593369,15.31661844,16.2783744,14.80487122,11.91960333,7,4.166666667,6,7,3,5,1.79,0.8875,0,1.650963624,0.25,0,2.381101578,1.650963624,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0.591,0.411,0.402,0.508,0.152,3.37,6,4,3,2,0,0,0,0,0,28,2.079441542,2.197224577,1.791759469,1.609437912,1.386294361,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,37.3,109.9803765,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,102.0680796,6.00400468,12.67036528,1.810052182,4.72965845,4.72965845,0,52,4,1.311,24,1.2258125,2.131261286,2.841761961,3.481121575,4.800971484,5.602920994,6.387494553,0,0,0,93.93993626,106.732238,84.97911381,113.9320218,151.0366471,72.32082694,6.490103265,0,0,0,285.869936,333.5283835,321.8233413,396.8019739,465.5155212,429.4144331,198.5472482,0,0,0,9.492551247,16.12773428,21.37043541,26.45069133,37.6669434,48.70502177,42.9141522,0,0,0,2.002191355,2.555013019,2.598177096,3.13416468,3.54218304,3.288457243,2.839962508,0,0,0,179.680993,334.4914447,477.514531,583.8859003,832.4388977,1016.035163,1181.160495,0,0,0,4.074708333,8.128127857,7.661569857,10.20682323,18.65107342,27.64802826,6.387494553,0,0,0,0.452756288,0.597359182,0.629862859,0.783293466,0.989068054,1.066663668,0.654079442,0,0,0,285.5073513,217.7478005,12.92243167,217.3581236,-165.7724507,-33.83982225,68.14922771,383.5202512,46.76225392,0.567760893,0.433014019,0.025697592,0.432239107,-0.329655661,-0.067293986,143.5717898,109.4978511,6.498244739,109.301896,-83.36124216,-17.01687828,0.339401057,0.434685639,2.817858263,17.98720062,389.1980385,113.6674364,0.773960548,0.226039452,488.3046917,22.09761733,7.874632575,592.4231043,24.33974331,8.398672807,776.883988,27.8726387,9.192889859,1.873885482,1.873885482,498.212495,442.7268236,68.84421912,1.125327106,7.236809443,6.430849667,3.904612272,3.651928843,6.69582639,0.833504068,3.447925457,3.910227665,1.798685284,12.36924378,5.473344089,0.449493723,3.308664307,7.422720115,3.21440685,0.632716468,3.178960145,1.614750055,1.92E-04,1.64E-28,2.71E-74,8.64E-142,5.31E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331631618,3.934172588,0.125756106,3.618122839,0.198745543,0.379616381,0.371783327,0.392638233,2.135204734,0.054046106,1.037079355,0.015899002,2.14E-05,1.84E-29,3.03E-75,9.65E-143,5.93E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0.868523057,3.889324375,0.421773931,4.067170778,0.587784488,0.231344813,0.74163243,1.211088896,1.632767863,0.168786925,0.938131704,0.123709899,3.71E-05,3.18E-29,5.25E-75,1.67E-142,1.03E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,3.548258671,3.934240264,1.680351575,12.31223017,5.430671611,0.528134135,3.366117572,7.254693972,3.773461516,0.607835705,3.51416731,1.454487784,2.41E-04,2.06E-28,3.41E-74,1.08E-141,6.66E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,1.185869241,3.872292647,0.638500241,4.603698093,0.926290721,0.185055791,0.99062803,1.834248694,1.434107172,0.245579345,0.961046755,0.25882407,3.68E-05,3.15E-29,5.20E-75,1.66E-142,1.02E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,4.397689032,3.925531979,2.255491171,16.55191147,7.980576963,0.56107512,4.410229658,10.19476651,4.131945793,0.7726868,4.25105998,2.355052062,2.80E-04,2.40E-28,3.96E-74,1.26E-141,7.75E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,3.705466081,3.868661274,1.002982447,12.42744322,5.462365726,1.021633252,3.429510037,6.382726089,8.704711282,0.463196712,5.973254279,0.686266782,4.31E-04,3.69E-28,6.10E-74,1.94E-141,1.19E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,4.366695242,0.838303891,0.389847891,0.78048519,0.149834998,0.540080874,0.484536416,0.470574535,5.594847024,5.689775547,12.71170663,0.670727785,1.495191825,4.96696903,0.642566479,0.065409157,0.875245368,0.113228677,0.748987373,0.266447885,0.013246927,5.674944666,3.55852279,9.442227832,0.812868051,1.028682186,4.253808948,0.654494689,0.196466818,0.83330073,0.128212364,0.524146154,0.311096916,0.119513363,5.104770455,3.748414162,9.400166975,0.749951095,0.954756433,4.53059577,0.866696315,0.365821744,0.786136784,0.150386812,0.583949869,0.534259727,0.414359286,5.763113829,5.901097465,13.10066549,0.679205176,1.532568882,4.033539602,0.663259777,0.265860424,0.812777777,0.133650059,0.463784707,0.315378046,0.218849435,4.962659803,3.923977651,9.597889747,0.719166665,0.998012188,4.43863848,0.871167465,0.410539724,0.775938857,0.152292801,0.557740612,0.520147486,0.521853276,5.720345669,6.046683698,13.35450332,0.663908286,1.599741374,4.541541236,0.878010382,0.365359958,0.785066665,0.151775938,0.587282049,0.550334397,0.413313833,5.784911576,5.967607506,13.20939935,0.677599997,1.550930279 +UMLKV0170,L,3-METHYLBUTYRIC ACID,CC(C)CC(=O)O,C5H10O2,Organic Acid,,503-74-2,2.603368154,PubChem,,1.7475,1,0.3679,0.13535041,26.0363,17.07193,0,0,17,7,10,0,5,0,2,0,0,0,0,0,0,0,1243.417247,1086.475246,1393.964143,979.547276,909.029028,218.754144,6.096384,0,0,2861.203507,3414.169789,4339.816228,4176.490011,2893.027706,1244.720545,186.5024666,0,0,131.590652,123.759688,210.257644,264.369728,263.425968,134.607744,40.310784,0,0,19.67703705,24.39094678,33.17939467,34.53102075,24.44780295,9.088917357,2.667677429,0,0,2854.050872,2377.151287,4437.454599,5721.743828,6308.705698,2713.374068,1109.505912,0,0,109.8055556,53.83333333,101.8888889,97.16666667,99.33333333,83,6,0,0,73.142191,67.90470288,49.78443368,27.98706503,25.25080633,14.5836096,1.016064,0,0,168.3060886,213.3856118,154.9934367,119.328286,80.36188072,82.98136965,31.08374443,0,0,7.740626588,7.7349805,7.509201571,7.5534208,7.317388,8.9738496,6.718464,0,0,1.157472768,1.524434174,1.184978381,0.986600593,0.679105638,0.605927824,0.444612905,0,0,167.8853454,148.5719555,158.4805214,163.4783951,175.2418249,180.8916045,184.917652,0,0,6.459150327,3.364583333,3.638888889,2.776190476,2.759259259,5.533333333,1,0,0,0.313924727,-0.22263343,0.126959493,-0.103763375,0.115933447,-0.104306483,0.030847984,0,0,629.8202065,-55.97742397,118.7138349,-398.0176804,504.8625953,-634.4808411,149.989412,0,0,780.5766247,-58.3553712,-75.35312846,-548.6401457,425.8830465,-314.5127003,180.6899869,0,0,1.881607059,-0.154837232,1.008896374,-0.505888886,0.324356111,-1.787210228,0.173880332,0,0,3.424768994,-0.209275537,-0.632453814,-2.112812414,0.339909267,0.322042955,0.580205046,0,0,19.34959846,-1.115657181,-3.477456291,-11.08310787,-0.819523281,4.002451094,2.818494302,0,0,51.4379085,-4.879469435,27.24442522,-18.29700115,12.93540946,-47.08737024,4.365051903,0,0,0.01846616,-0.013914589,0.004534268,-0.002964668,0.003220374,-0.006953766,0.005141331,0,0,37.04824744,-3.498588998,4.239779819,-11.37193373,14.02396098,-42.29872274,24.99823533,0,0,45.91627204,-3.6472107,-2.691183159,-15.67543274,11.83008462,-20.96751335,30.11499781,0,0,0.110682768,-0.009677327,0.036032013,-0.014453968,0.009009892,-0.119147349,0.028980055,0,0,0.201457,-0.013079721,-0.022587636,-0.060366069,0.009441924,0.02146953,0.096700841,0,0,1.138211674,-0.069728574,-0.124194868,-0.316660225,-0.022764536,0.266830073,0.46974905,0,0,3.025759323,-0.30496684,0.973015186,-0.522771462,0.359316929,-3.139158016,0.727508651,0,0,-0.753518276,0.24554469,-0.160545982,0.174393239,-0.376568025,0.278419044,0,0,-0.09443332,0.114439416,-0.306949303,0.378532372,-1.141719937,0.67474812,0,0,-0.079431769,-0.058610663,-0.341391669,0.257644711,-0.456646684,0.655867658,0,0,-0.087433005,0.325543117,-0.130589146,0.081402843,-1.076476045,0.261829875,0,0,-0.064925622,-0.112121377,-0.299647414,0.046868186,0.10657128,0.480007352,0,0,-0.061261517,-0.109114034,-0.278208555,-0.020000265,0.234429218,0.412707988,0,0,-0.100790184,0.321577192,-0.172773643,0.118752647,-1.037477764,0.240438374,0,0,1.647965441,0.444053031,0.880407579,0.649020732,2.470298479,0.994263215,0,0,1.06866407,0.78332215,1.210194572,0.480044865,2.488661968,0,0,0,1.395437207,1.17886519,1.328959555,0.535382307,0.991828794,0,0,0,0.794590982,0.300799406,0.937197164,0.675493025,3.849634084,0,0,0,1.545060049,1.301175392,1.315718508,0.6550468,0.347619711,0,0,0,1.558703373,1.294301466,1.293780359,0.694876297,0.301496381,0,0,0,0.775476493,0.31429479,0.996732619,0.629789637,3.815603558,0,0,0,24.85897865,12.67948933,19.76122544,25.21612151,3.602303073,12.67949921,0.5,0.104040534,0.014862933,-1.584082293,26.20798421,3.743997745,2.286244874,24.86395856,12.68124486,19.76357402,25.22005224,3.602864606,12.68125472,0.498531158,0.103909665,0.014844238,-1.584963352,26.22012117,3.745731595,2.28656897,29.31644779,14.25922942,21.96372163,28.74645568,4.106636526,14.25923108,-0.797988956,0.012925957,0.001846565,-3.043962497,39.35891595,5.622702278,2.570905771,24.86918519,12.68308739,19.76603922,25.22417776,3.603453966,12.68309723,0.4969896,0.103772313,0.014824616,-1.585889254,26.23288949,3.747555642,2.286909763,34.09905288,15.96723218,24.56880493,32.55291822,4.650416888,15.96723245,-2.164588529,0.135273091,0.019324727,-1.400321753,25.84562349,3.692231927,2.276498898,25.38110074,12.86368456,20.00878049,25.62843529,3.661205042,12.86369248,0.346268372,0.090321468,0.012903067,-1.683066077,27.65458357,3.950654796,2.32385404,27.36105941,13.94956961,22.58022121,27.87212327,3.981731895,13.94957334,1.34547619,0.186585289,0.026655041,-1.175206783,19.72056274,2.817223248,2.08716332,0,11.99640053,15.99825848,-0.351351618,0.278947025,3.721745469,7.211379812,6,16,15,15,5,1,1,0,0,1,11.89007,3.541484882,3.086582386,2.333552793,2.061272964,1.714284772,1.013037581,0.083923071,0.083923071,1.852084108,1.330703443,1.249629723,0.713522438,0.390446477,0.130155891,0.083923071,0.083923071,3.49899158,2.958625351,2.405454588,2.005573864,1.337900863,1.113677093,0.270913902,0.270913902,1.811799251,1.371569107,1.134540686,0.761714575,0.272701029,0.183730974,0.270913902,0.270913902,3.645447421,3.210393153,2.704236987,2.385764404,1.931997905,1.59772851,0.943918427,0.943918427,1.624459089,1.078682132,0.76031856,0.297227393,0.281850863,0.38418563,0.943918427,0.943918427,3.504384292,2.927047658,2.457539916,2.002362974,1.279601022,1.173274524,0.399277246,0.399277246,1.793265786,1.397363983,1.058262671,0.74201435,0.285720103,0.110718223,0.399277246,0.399277246,3.682660171,3.228623309,2.838982085,2.481946704,1.970963294,1.792224093,1.207644823,1.207644823,1.580393292,1.052880732,0.631337262,0.213458105,0.404755185,0.534910811,1.207644823,1.207644823,4.936044888,3.906349534,3.418077975,2.639198179,2.424485388,1.317905181,0.588235294,0.588235294,1.712860181,0.997147773,0.874492297,0.07617861,0.103449934,0.503403074,0.588235294,0.588235294,0,0,1,0,0,2,1,1,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.472798013,0,0,0,0.471404521,0.942809042,0.23570226,0.241391945,0.249156026,0.0372678,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,4.639918936,2.344233162,1.991709539,0.582868717,0.349240853,0,0,0,0.662845562,0.390705527,0.284529934,0.145717179,0.087310213,0,0,0,9.138737228,17.10050983,16.3254902,16.6,9.953251497,131.4503174,0.537572778,1.005912343,0.960322953,0.976470588,0.585485382,7.73237161,1.1171,27.0908,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,38,1,0,2,1,1,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.786666667,0,17.89361111,-0.712962963,7.716981481,0,0,0,0,0,0,0,0,0.786666667,0,0,0,0,0,0,0,0,0,0,0,0,0,1.492152778,0.5125,0,0,0,0,0,0,0,0,0,0,3.766111111,0,0.277777778,0,0,0,0.275462963,0,0,-0.712962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.083888889,9.809722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.786666667,0,8.083888889,-0.712962963,7.716981481,0,0,0,0,0,0,0,0,0.786666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305625,0.5125,0,0,0,0,0,0,0,0,0,0,1.883055556,0,0.277777778,0,0,0,0.275462963,0,0,-0.712962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.083888889,9.809722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.786666667,0,9.809722222,0,7.716981481,0,0,0,0,0,0,0,0,0.786666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,1.883055556,0,0.277777778,0,0,0,0.275462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.083888889,9.809722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.5,3.071428571,0.786666667,9.809722222,0.305625,-0.712962963,1.978448426,2.37962963,2.809722222,9.787222222,2.37962963,2.809722222,9.787222222,3.16666,0.45238,0,0.04762,0.5549,0.91905,0.42174,0.5549,0.84167,0.13316,0,-0.13316,0.07738,0.49223,0.22206,0,0.52631,0.31579,0,5,0.71429,3.5,0.5,1.5,0.21429,-2,-0.28571,0,0,5.0241,0.71773,7.47656,2.45246,0.35035,2.22766,0.31824,3.12588,0.89822,0.12832,0.28812,0.04116,0.28812,0.04116,0,6.02,2,2,2,2,1,1,0.8,1.332820405,2.291620193,2.939829017,2.939829017,2.699390027,1.855281123,22.65794688,38.95754329,49.9770933,49.9770933,45.88963046,31.53977909,0.326075235,0.560646123,0.719230763,0.719230763,0.660407233,0.453895533,2.754642437,1.795842648,1.147633824,1.147633824,1.388072814,2.232181718,0.326075235,0.560646123,0.719230763,0.719230763,0.660407233,0.453895533,12.49498498,21.4380538,22.09133488,22.09133488,19.20606699,13.069458,25.89308809,17.14593369,16.92280201,16.92280201,15.48016806,11.86843833,7,3.06122449,6,7,3,4,1.79,0.8875,0.5,1,2.309401077,0,0,2,0,0.5,0,0,0.5,0,0,0,0,0,0,0,0,0.591,0.429,0.422,0.469,0.137,3.142,7,4,4,0,0,0,0,0,0,28,2.079441542,2.302585093,1.791759469,1.945910149,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,2.5,0.444444444,0.5,0,0,0,0,0,0,0,0.416666667,0.063492063,0.125,0,0,0,0,0,0,0,0.60515873,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,37.3,109.9803765,3.807354922,3.295836866,3.891820298,4.65396035,5.262690189,6.033086222,6.64509097,7.417580402,8.030409562,8.803424212,67.03389907,2.564949357,0,3.713572067,0,4.976733742,0,6.300785795,0,7.655864018,7.958576904,102.0680796,6.00400468,12.50916243,1.787023205,4.707444038,4.707444038,0,48,4,1.25,26,1.2258125,2.130108565,2.883112497,3.399450291,4.285306165,4.753613829,0,0,0,0,93.93993626,117.7236729,87.18047227,97.69991947,62.61006927,4.829975882,0,0,0,0,285.869936,355.2918507,358.1973415,294.0032532,356.9120575,147.7601174,0,0,0,0,9.492551247,16.13069719,21.84439021,25.0730019,38.44422257,31.93698338,0,0,0,0,2.002191355,2.658309099,2.918842835,2.40216015,2.609313579,2.113518053,0,0,0,0,179.680993,334.0787931,469.3365052,591.8879406,774.5388083,879.0271079,0,0,0,0,4.15159375,8.25499034,8.177138986,10.00878014,23.50020761,4.753613829,0,0,0,0,0.452756288,0.61662966,0.696881252,0.631018047,0.870514391,0.486770056,0,0,0,0,295.5696108,224.558839,12.92217967,175.1718766,-133.0867309,-28.06885284,120.3977342,357.6455699,40.99103252,0.627880947,0.477032182,0.027450692,0.372119053,-0.282717233,-0.059626894,139.1368782,105.7091619,6.08300608,82.46066974,-62.64944563,-13.21317354,0.341039889,0.436346837,1.909093542,17.03695432,370.0300036,100.7114838,0.78605777,0.21394223,488.3046917,22.09761733,7.874632575,592.4231043,24.33974331,8.398672807,827.0304244,28.75813666,9.386575164,1.383515198,1.383515198,354.2803679,289.4329801,102.8192263,1.224049753,3.445662653,2.814969443,3.674259557,3.22022378,5.446705182,0.691405801,3.447925457,3.910212358,1.944870216,11.2890268,3.680244323,3.391185651,3.341415287,3.93036472,2.099347659,1.511694353,1.01E-13,1.31E-48,3.29E-105,1.59E-183,1.48E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331631618,3.93417248,0.124753269,4.820473914,0.404739803,0.571023901,0.822985412,0.382370214,0.127147039,0.168333673,1.13E-14,1.47E-49,3.68E-106,1.78E-184,1.65E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.868523057,3.889323252,0.427281364,5.389793817,0.666219861,0.737357656,0.778156934,0.920987358,0.27680178,0.291985494,1.96E-14,2.55E-49,6.37E-106,3.08E-184,2.87E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.548258671,3.934226626,1.809200291,11.65666396,3.859215423,3.558799406,3.401233038,4.29186051,2.232269298,1.896459483,1.27E-13,1.65E-48,4.13E-105,2.00E-183,1.86E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.185869241,3.872290207,0.655464462,5.819750779,0.833876418,0.892928789,0.888207667,1.182541274,0.368731212,0.289663128,1.94E-14,2.52E-49,6.31E-106,3.05E-184,2.84E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.397689032,3.925509654,2.475317402,13.94763316,5.25423211,4.637286328,4.570347183,5.217785238,3.061990431,2.207829791,1.48E-13,1.92E-48,4.81E-105,2.32E-183,2.16E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.549213658,3.516482542,0.931560298,13.38362832,4.611029864,3.88226978,4.085112725,5.402843076,2.453364486,3.127637737,2.10E-13,2.73E-48,6.83E-105,3.30E-183,3.07E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.664219865,1.35106286,0.512707982,0.588388987,0.298380219,0.491137705,0.52603967,0.433659182,4.527990707,5.658196014,12.03169372,0.38258348,1.450836556,3.112569151,0.840316702,0.193702046,0.750633829,0.202652572,0.704523193,0.189495721,0.049593799,4.146587899,3.381225919,8.034450011,0.625950743,0.943612712,2.562539159,1.024160617,0.318203264,0.656236309,0.262275556,0.463080902,0.290227526,0.156611385,3.90490304,3.765751263,8.505763397,0.484354464,0.909919812,2.794801321,1.326434563,0.497964431,0.605040078,0.287156753,0.541898556,0.503231835,0.399769432,4.619200315,5.75934995,12.2245647,0.407560118,1.444899823,2.389114632,1.128699171,0.376701328,0.613456246,0.289817637,0.397075649,0.362771905,0.229753659,3.894515131,4.021756835,8.932081642,0.420184369,0.989601213,2.723496437,1.388821838,0.53610435,0.585896907,0.298772713,0.513127473,0.556081863,0.474721737,4.648422624,5.98708304,12.66329427,0.37884536,1.543931072,2.792062976,1.334247289,0.499442367,0.603591069,0.288438962,0.541253358,0.508321147,0.400597171,4.625752632,5.786156623,12.27248313,0.405386603,1.450171676 +UMLKV0171,L,N-HEXANOIC ACID,CCCCCC(=O)O,C6H12O2,Organic Acid,,142-62-1,2.751490152,PubChem,,2.4009,1,-1.0177,1.03571329,26.402,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1254.953543,1466.606671,1109.757861,898.906268,702.149539,505.39281,110.901168,3.048192,3346.887898,4067.159924,5028.235927,4681.371124,3654.726637,2647.928293,1641.129948,668.985889,93.25123329,152.568096,145.535468,252.963436,324.85962,265.94048,203.05558,140.17068,77.381568,20.155392,23.35516286,29.4069354,39.86066053,39.53896118,30.87189014,21.85036128,12.82883242,5.211378036,1.333838715,3350.680532,2810.190739,5356.189885,7391.469608,6097.165481,4618.210326,3139.255171,1634.063512,554.7529561,112.7777778,57.91666667,110,103.5833333,86.33333333,74.16666667,66.5,43,3,69.4856748,66.05018647,43.13549032,25.22176957,24.96961856,26.00553848,28.07737833,12.322352,1.016064,167.3443949,214.0610486,147.889292,106.3947983,101.5201844,98.07141824,91.17388598,74.33176544,31.08374443,7.6284048,7.659761474,7.440101059,7.383173182,7.387235556,7.520577037,7.78726,8.597952,6.718464,1.167758143,1.547733442,1.172372369,0.898612754,0.857552504,0.80927264,0.712712912,0.579042004,0.444612905,167.5340266,147.9047757,157.5349966,167.9879456,169.3657078,171.0448269,174.403065,181.5626124,184.917652,5.638888889,3.048245614,3.235294118,2.354166667,2.398148148,2.74691358,3.694444444,4.777777778,1,0.318277704,-0.221975818,0.122728471,-0.069231547,0.004437503,0.003784629,0.029923563,-0.044046035,0.015240383,715.056216,-57.619609,-50.013137,-64.393227,19.063964,7.524355,-4.015254,-277.1952,69.12,931.2646053,-60.17718714,-380.2368375,-56.53804693,20.70755114,19.16980356,17.63205599,-114.1488012,87.95915934,1.9334688,-0.13838176,0.98799664,-0.27603456,-0.18289024,-0.27482048,-0.36675072,-0.78553056,0.06967728,4.097118945,-0.201369953,-1.956981533,-0.227305186,-0.089456569,-0.093027659,-0.096598749,0.319481881,0.296698294,23.01673804,-1.03600506,-10.59811421,-1.318577154,-0.900470918,-0.957925282,-1.015379646,2.850277208,1.467826044,52.68888889,-2.865555556,26.39555556,-8.621111111,-6.573333333,-9.38,-6.82,-20.09333333,1.613333333,0.015913885,-0.011682938,0.003609661,-0.001573444,1.23E-04,1.40E-04,0.00166242,-0.004894004,0.005080128,35.7528108,-3.032611,-1.470974618,-1.463482432,0.529554556,0.278679815,-0.223069667,-30.79946667,23.04,46.56323026,-3.167220376,-11.1834364,-1.284955612,0.575209754,0.709992725,0.979558666,-12.68320013,29.31971978,0.09667344,-0.007283251,0.029058725,-0.006273513,-0.005080284,-0.010178536,-0.02037504,-0.087281173,0.02322576,0.204855947,-0.010598419,-0.05755828,-0.005166027,-0.002484905,-0.003445469,-0.005366597,0.035497987,0.098899431,1.150836902,-0.054526582,-0.311709242,-0.029967663,-0.025013081,-0.035478714,-0.05640998,0.316697468,0.489275348,2.634444444,-0.150818713,0.776339869,-0.195934343,-0.182592593,-0.347407407,-0.378888889,-2.232592593,0.537777778,-0.734134853,0.226824616,-0.098872414,0.007745687,0.008808121,0.1044635,-0.307530428,0.319226101,-0.084821611,-0.041142908,-0.040933353,0.01481155,0.007794627,-0.00623922,-0.861455812,0.644424857,-0.068019773,-0.240177418,-0.027595929,0.012353304,0.015247927,0.021037172,-0.272386603,0.629675382,-0.075338692,0.300586435,-0.06489386,-0.052550984,-0.105287826,-0.210761508,-0.902845428,0.240249649,-0.051735958,-0.280969536,-0.025217852,-0.01213001,-0.016818984,-0.026196931,0.173282676,0.482775496,-0.047379939,-0.270854403,-0.026039887,-0.021734688,-0.030828621,-0.049016486,0.275188836,0.425147427,-0.057248774,0.294688268,-0.074374065,-0.069309715,-0.131871222,-0.143821173,-0.847462393,0.204133277,1.643071214,0.460050045,0.778064843,0.791806216,1.031156542,1.42322425,2.604153334,1.167808463,1.110587135,0.958572122,0.933775628,0.87962963,0.934551671,1.044395753,2.169175481,0,1.411385197,1.371592649,0.947822512,0.87962963,0.832607538,0.738563356,0.822681118,0,0.785543578,0.306837364,0.856235906,0.87962963,1.155576195,1.707469325,3.70735,0,1.537152843,1.475467725,0.932805654,0.87962963,0.827121207,0.722104361,0.287547421,0,1.547882111,1.462278714,0.924830625,0.87962963,0.838553501,0.756401243,0.250820286,0,0.735449178,0.312143362,0.879663356,0.889831998,1.178651764,1.64860994,3.686208351,0,37.35009904,18.92504952,30.65635007,37.72509904,4.71563738,18.92504954,0.5,0.152719123,0.01908989,-1.503323872,38.98970157,4.873712696,2.930638039,37.35524472,18.92688794,30.65864492,37.72914309,4.716142886,18.92688796,0.498531158,0.152622594,0.019077824,-1.50382969,38.97714897,4.872143621,2.93038044,41.95983593,20.58092349,32.77755024,41.36134422,5.170168027,20.58092349,-0.797988956,0.065530986,0.008191373,-2.180185745,33.15317594,4.144146992,2.800910814,37.36064534,18.92881747,30.66105363,37.73338754,4.716673442,18.92881749,0.4969896,0.15252128,0.01906516,-1.504360919,38.96399959,4.870499949,2.930110506,46.91912152,22.3772665,35.2163614,45.29568013,5.661960016,22.3772665,-2.164588529,0.030311144,0.003788893,-2.796991866,32.61609964,4.077012455,2.787844816,37.88962884,19.11794861,30.89783342,38.14933012,4.768666265,19.11794862,0.346268372,0.142591431,0.017823929,-1.558217494,37.79026116,4.723782644,2.905641142,38.08189945,19.23843617,31.96961241,38.59928787,4.824910984,19.23843619,1.432804233,0.211754895,0.026469362,-1.241860664,61.33886731,7.667358413,3.293130954,0,11.99635523,15.99825889,-0.351368778,0.278705076,3.682448228,6.897017548,7,19,18,18,6,1,1,0,0,1,14.076484,3.526325367,3.233103509,2.712665282,2.094363672,1.737500344,1.508665247,1.167555444,0.083923071,1.870169114,1.585000419,1.198010218,0.850272991,0.644685754,0.533750115,0.130693884,0.083923071,3.492274146,3.167616468,2.665227963,2.093361681,1.605196783,1.341908679,1.258432913,0.270913902,1.821312119,1.558310448,1.191080036,0.831895805,0.562944475,0.392089752,0.211304377,0.270913902,3.640325299,3.369883573,2.92995875,2.435281964,2.049704961,1.903306623,1.754014123,0.943918427,1.63045127,1.312346169,0.863150056,0.40631925,0.058945933,0.149475416,0.364098094,0.943918427,3.502186319,3.162500418,2.661268802,2.11231947,1.656242057,1.377990619,1.228791804,0.399277246,1.796447246,1.551437263,1.18152593,0.790210371,0.488273579,0.308869201,0.228393383,0.399277246,3.684014405,3.407154596,2.992302318,2.547302816,2.197511417,1.995351291,1.913010918,1.207644823,1.580669126,1.266316929,0.803781246,0.305506514,0.09612077,0.336327986,0.451818384,1.207644823,5.122443615,4.09644269,3.465768077,3.032322499,2.41567408,1.855437933,1.523600188,0.620689655,1.71776826,1.320464363,0.83270248,0.405232526,0.137394345,0.142786841,0.5521895,0.620689655,0,0,1,0,0,1,4,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.064549722,0,0,0,0.288675135,0.204124145,0.144337567,0.045643546,0.032274861,0.022821773,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,5.183889011,2.988391115,1.850845324,0.994195557,0.526225725,0.231932736,0.106932736,0,0.647986126,0.426913016,0.264406475,0.198839111,0.131556431,0.077310912,0.053466368,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.6513,31.7778,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,1,0,2,1,1,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,1,0,0,0,0,0,0,0,0,0,0,1,0,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.778480726,0,18.01422902,-0.681990741,7.686815333,0,0,0,0,0,0,0,0,0.778480726,0,0,0,0,0,0,0,0,0,0,0,0,0,1.71189059,0.5125,0,0,0,0,0,0,0,0,0,0,2.057391345,0,3.277037037,0,0,0,0,0,0,-0.681990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.140104875,9.87412415,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.778480726,0,8.140104875,-0.681990741,7.686815333,0,0,0,0,0,0,0,0,0.778480726,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252862812,0.5125,0,0,0,0,0,0,0,0,0,0,2.057391345,0,0.327222222,0,0,0,0,0,0,-0.681990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.140104875,9.87412415,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.778480726,0,9.87412415,0,7.686815333,0,0,0,0,0,0,0,0,0.778480726,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,2.057391345,0,1.090555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.140104875,9.87412415,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.66666667,2.833333333,0.778480726,9.87412415,0.252862812,-0.681990741,2.564485608,2.348657407,2.87412415,10.14324074,2.348657407,2.87412415,10.14324074,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.82593,0.11359,0,-0.11359,0.06574,0.51402,0.20027,0,0.31818,0.13636,0,5.5,0.6875,4,0.5,1.5,0.1875,-2.5,-0.3125,0,0,5.92747,0.74093,8.40872,2.48126,0.31016,2.87183,0.35898,3.77005,0.89822,0.11228,0.14395,0.01799,0.14395,0.01799,0,7.02,2,2,2,2,1,1,0.833333333,1.295461844,2.18149633,3.20869497,3.446439345,3.203701696,3.225349666,25.90923688,43.62992659,64.17389939,68.92878689,64.07403392,64.50699333,0.299741647,0.504750723,0.742422109,0.797430977,0.741266774,0.746275643,3.026466251,2.140431765,1.113233125,0.87548875,1.118226399,1.096578428,0.299741647,0.504750723,0.742422109,0.797430977,0.741266774,0.746275643,12.01211119,20.31476814,23.96333241,21.58960937,21.3449723,21.60474794,29.38046565,20.17128495,16.47566766,18.84235826,19.44633813,14.64968788,8,5.142857143,7.2,8,3,6,1.9,1.0284,0,1.807204007,0.2,0,3.965406457,1.807204007,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0.591,0.411,0.402,0.508,0.152,3.869,7,5,4,3,2,0,0,0,0,36,2.197224577,2.302585093,1.945910149,1.791759469,1.609437912,1.386294361,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,37.3,127.2763612,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,116.0837296,5.804186481,14.66595917,1.833244896,4.746917348,4.746917348,0,79,5,1.88,28,1.229578947,2.136498092,2.849126103,3.51722705,4.854563031,5.77073372,6.994890479,7.342731477,0,0,92.08966391,101.588202,83.42050281,111.2521699,143.911546,186.1909403,88.69061776,7.460685115,0,0,288.1231014,336.5391443,329.1980003,418.3869337,515.8968528,569.966443,528.4716577,228.2395887,0,0,9.432046034,16.00550865,21.12440616,26.22430599,36.71555719,45.29776742,60.59267021,49.33187709,0,0,2.040068737,2.615559364,2.69834866,3.384504815,4.145770057,4.321343665,4.06670339,3.264673171,0,0,179.4133939,333.6293636,475.7511209,582.8990483,823.2706257,997.6748366,1269.976649,1357.800664,0,0,3.787425439,7.293897656,6.915800659,8.952685338,13.83773723,22.54552054,34.19489617,7.342731477,0,0,0.454475163,0.599699466,0.63546573,0.807002286,1.039394468,1.203885613,1.317812822,0.751895703,0,0,318.1484008,259.5655353,13.5080116,228.3283852,-186.2847004,-33.02218953,89.82001565,445.8502357,46.53020114,0.582180998,0.474979984,0.024718363,0.417819002,-0.340883099,-0.060427433,173.8607155,141.8465395,7.381814765,124.7761621,-101.8002643,-18.04586,0.317272648,0.406344599,2.374715671,15.65723101,439.7845524,106.6922335,0.804763466,0.195236534,550.3862609,23.46031246,8.195130268,673.8787456,25.95917459,8.767193385,889.8242082,29.82992136,9.618368363,2.181308115,2.181308115,777.7376872,720.2933983,74.13206974,1.079751236,10.49124475,9.71635354,4.329711967,4.466158665,7.909126396,0.770901347,4.005726564,4.858744973,2.09501779,17.34212155,7.448193738,0.449509364,4.102920301,6.594904956,7.824815342,0.470542438,2.893673827,1.33498951,4.159918133,0.063323331,0.875882763,1.38E-15,4.17E-52,2.43E-110,2.74E-190,5.96E-292,0,0,0,0,0,0,0,0,0,0,0.378443999,4.88264779,0.147873038,4.631515439,0.212811887,0.379631894,0.494341992,0.287636018,3.435514717,0.021849036,0.939241348,1.017393396,0.429444927,0.005540544,0.097901132,1.54E-16,4.66E-53,2.72E-111,3.07E-191,6.66E-293,0,0,0,0,0,0,0,0,0,0,1.019639131,4.83780247,0.494983588,5.348375732,0.733131456,0.231360334,1.001291461,1.035984649,3.450211422,0.082155069,0.810806327,0.622500934,0.907865187,0.007113774,0.169600038,2.66E-16,8.07E-53,4.71E-111,5.31E-191,1.15E-292,0,0,0,0,0,0,0,0,0,0,4.074777414,4.882752977,1.958170234,16.85153441,7.190335416,0.528149761,4.119250126,6.172459476,8.72757035,0.432007265,2.910149107,1.693810409,4.813781005,0.05811055,1.100099385,1.73E-15,5.23E-52,3.06E-110,3.45E-190,7.49E-292,0,0,0,0,0,0,0,0,0,0,1.40858653,4.820774421,0.748232579,6.229204664,1.241616637,0.185071323,1.344404355,1.670699007,3.500877834,0.1328415,0.895381907,0.461455427,1.071400374,0.011328691,0.167945684,2.64E-16,7.99E-53,4.67E-111,5.26E-191,1.14E-292,0,0,0,0,0,0,0,0,0,0,5.071314651,4.87406859,2.622332508,23.34718357,10.86019645,0.561090819,5.356750201,8.986618541,9.91908234,0.625786002,3.822445346,1.768295164,5.742148999,0.091393651,1.279234268,2.01E-15,6.09E-52,3.56E-110,4.01E-190,8.71E-292,0,0,0,0,0,0,0,0,0,0,4.130734839,4.798297366,1.195191582,15.16694886,6.375307039,1.050024099,4.021199836,4.058977174,14.50975538,0.227719798,3.271985154,5.305783469,8.313324574,0.040690174,2.02441171,3.18E-15,9.63E-52,5.63E-110,6.34E-190,1.38E-291,0,0,0,0,0,0,0,0,0,0,5.928521947,0.859277481,0.413955308,0.8232052,0.119315016,0.546191859,0.552466238,0.499987563,7.201754736,7.904091006,17.21463567,0.7348078,1.59864566,6.951745757,0.592322605,0.071843483,0.912792309,0.077774352,0.765783754,0.250841014,0.015060072,7.615911846,4.659668305,12.57140835,0.869188463,1.031684839,5.920968828,0.632857566,0.210000589,0.875387387,0.093565014,0.547630658,0.308195488,0.128674745,6.763826984,5.123437327,12.6741638,0.81308108,0.984500891,6.172112069,0.87318489,0.390967846,0.830001651,0.117422512,0.59243612,0.581057888,0.445999503,7.436264806,8.143879577,17.68722454,0.745002477,1.61949351,5.580917012,0.66474516,0.281289421,0.855057209,0.101846191,0.484579551,0.338191864,0.230865527,6.526951593,5.466726269,13.03722999,0.782585813,1.053636942,6.008440939,0.895128416,0.436403191,0.818591746,0.121952556,0.560989712,0.597305478,0.555684299,7.339972546,8.391065916,18.07815719,0.727887618,1.713979489,6.199253094,0.882186552,0.390623924,0.829657435,0.118064648,0.597839744,0.595053112,0.445215184,7.47206357,8.235077451,17.8434233,0.744486152,1.638108039 +UMLKV0172,L,METHANOL,CO,CH4O,Alcohol,Alcohols,67-56-1,1.386294361,PubChem,,0.5942,0,-0.358,0.128164,8.2613,5.229172,0,0,6,2,4,0,1,0,1,0,0,0,0,0,0,0,404.296378,244.612245,63.536256,3.048192,0,0,0,0,0,764.2426564,728.9529818,454.0287415,93.25123329,0,0,0,0,0,47.766088,40.857948,55.686528,20.155392,0,0,0,0,0,5.210555619,5.214740916,4.051686983,1.333838715,0,0,0,0,0,1051.91625,797.8952482,1263.428334,554.7529561,0,0,0,0,0,44,24,23,3,0,0,0,0,0,67.38272967,48.922449,9.076608,1.016064,0,0,0,0,0,127.3737761,145.7905964,64.86124879,31.08374443,0,0,0,0,0,7.961014667,8.1715896,7.955218286,6.718464,0,0,0,0,0,0.868425937,1.042948183,0.578812426,0.444612905,0,0,0,0,0,175.319375,159.5790496,180.489762,184.917652,0,0,0,0,0,7.333333333,4.8,3.285714286,1,0,0,0,0,0,0.212264811,-0.091355781,-0.047677616,0.032900991,0,0,0,0,0,233.1814173,-61.77513911,-111.1229059,56.30733633,0,0,0,0,0,211.4578948,-96.9700467,-57.31729009,48.55838938,0,0,0,0,0,0.905117333,-0.186389778,-0.389390222,0.123221333,0,0,0,0,0,0.808707478,-0.497045051,-0.015307557,0.10799887,0,0,0,0,0,4.571362259,-2.898124217,0.164475656,0.447967432,0,0,0,0,0,20,-4,-9,3,0,0,0,0,0,0.035377469,-0.018271156,-0.006811088,0.010966997,0,0,0,0,0,38.86356956,-12.35502782,-15.87470084,18.76911211,0,0,0,0,0,35.24298247,-19.39400934,-8.188184299,16.18612979,0,0,0,0,0,0.150852889,-0.037277956,-0.055627175,0.041073778,0,0,0,0,0,0.13478458,-0.09940901,-0.002186794,0.035999623,0,0,0,0,0,0.76189371,-0.579624843,0.023496522,0.149322477,0,0,0,0,0,3.333333333,-0.8,-1.285714286,1,0,0,0,0,0,-0.516463074,-0.192526156,0.309999488,0,0,0,0,0,-0.317907695,-0.408472537,0.482948744,0,0,0,0,0,-0.550294214,-0.232335169,0.459272419,0,0,0,0,0,-0.247114628,-0.368751139,0.272277038,0,0,0,0,0,-0.737539936,-0.016224363,0.267090073,0,0,0,0,0,-0.760768643,0.030839633,0.195988594,0,0,0,0,0,-0.24,-0.385714286,0.3,0,0,0,0,0,1.312730146,1.080870425,0.290085433,0,0,0,0,0,1.294769238,1.218021973,0,0,0,0,0,0,1.875735535,0.803046046,0,0,0,0,0,0,1.117786571,1.344438164,0,0,0,0,0,0,2.34384984,0.468678686,0,0,0,0,0,0,2.401921607,0.427198852,0,0,0,0,0,0,1.1,1.357142857,0,0,0,0,0,0,1.520690633,0.885345316,1.520690633,1.520690633,0.760345316,1.374619918,0.25,0.116645086,0.058322543,-0.429723881,1.423933815,0.711966908,0.070684667,1.522019058,0.885642318,1.522019058,1.522019058,0.761009529,1.374663895,0.249265579,0.116197865,0.058098933,-0.430492162,1.42385866,0.71192933,0.07067411,2.82629418,1.213649851,2.82629418,2.82629418,1.41314709,1.518441839,-0.398994478,0.100074773,0.050037387,-0.460367528,1.421348848,0.710674424,0.070321263,1.523413905,0.885954353,1.523413905,1.523413905,0.761706953,1.374710416,0.2484948,0.11572933,0.057864665,-0.431300235,1.423780245,0.711890122,0.070663096,4.302924411,1.610315073,4.302924411,4.302924411,2.151462206,1.803703154,-1.082294264,0.179302178,0.089651089,-0.343736551,1.437509777,0.718754888,0.072582459,1.662769901,0.917952044,1.662769901,1.662769901,0.831384951,1.381024879,0.173134186,0.073727015,0.036863508,-0.521477199,1.418072904,0.709036452,0.069859768,0.942809042,0.804737854,0.942809042,0.942809042,0.471404521,1.412728607,0.666666667,0.5411961,0.27059805,-0.122794718,1.681792831,0.840896415,0.103972077,0,11.99697344,15.99794118,-0.425376469,0.058873558,2.666419116,3.111580884,1,5,5,5,1,0,0,0,0,0,4.372828,2.895253422,1.467222867,0.083923071,0.083923071,0.422129468,1.440471707,0,0,1.440471707,0.422129468,0.083923071,0.083923071,1.467222867,2.895253422,0,0,2.78828793,1.301659972,0.270913902,0.270913902,0.412515058,1.420805936,0,0,1.420805936,0.412515058,0.270913902,0.270913902,1.301659972,2.78828793,0,0,3.124589437,1.910087997,0.943918427,0.943918427,0.227544262,1.043722059,0,0,1.043722059,0.227544262,0.943918427,0.943918427,1.910087997,3.124589437,0,0,2.786516176,1.285682826,0.399277246,0.399277246,0.385003765,1.408401225,0,0,1.408401225,0.385003765,0.399277246,0.399277246,1.285682826,2.786516176,0,0,3.190334858,2.034113601,1.207644823,1.207644823,0.364834772,0.964607512,0,0,0.964607512,0.364834772,1.207644823,1.207644823,2.034113601,3.190334858,0,0,3.822102613,2.143230483,0.5,0.5,0.162376365,1.127709461,0,0,1.127709461,0.162376365,0.5,0.5,2.143230483,3.822102613,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,1,0,0,0,0,0,0,1,1,0,0,0,0,0,0,1.447213595,0.447213595,0,0,0,0,0,0,0.723606798,0.447213595,0,0,0,0,0,0,2.798454712,6.106336489,5.8,5.92,3.077348503,47.46833653,0.466409119,1.017722748,0.966666667,0.986666667,0.512891417,7.911389421,-0.3915,8.1428,1,2,2,1,1.407605964,0,0,0,1.414213562,0.707106781,0.069314718,2,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.95,0,7,0,0,0,0,0,0,0,0,0,0,0.95,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.95,0,7,0,0,0,0,0,0,0,0,0,0,0.95,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.95,0,7,0,0,0,0,0,0,0,0,0,0,0.95,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,4,0.95,7,0.45,1,0.432,1,1,2,1,1,2,0.83333,0.41667,0,0.08334,0.56111,1.08334,0.4,0.56111,0.82222,0.16111,0,-0.16111,0.26111,0.38461,0.32968,0,1,0,0,0.75,0.375,0.75,0.375,0,0,-0.75,-0.375,0,0,0.54433,0.27216,1,0.45567,0.22784,0.54433,0.27216,1,0.45567,0.22784,0,0,0,0,0,1.01,1,1,1,1,1,1,1,1.251629167,1.79248125,1.79248125,0.930827083,0,0,7.509775004,10.7548875,10.7548875,5.584962501,0,0,0.484196257,0.693426404,0.693426404,0.36009307,0,0,1.333333333,0.79248125,0.79248125,1.654135417,2.584962501,2.584962501,0.539047342,0.771979655,0.771979655,0.400885404,0,0,12.45399398,12.99907825,12.99907825,0.938110835,0,0,7.59147917,7.962406252,7.962406252,1.930827083,0,0,2,0,0,1,0,0,1.46,0.3082,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.385,0.375,0.449,0.205,1.123,0,0,0,0,0,0,0,0,0,3,0.693147181,0,0,0,0,0,0,0,0,0,1.386294361,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,2,2,1,1.407605964,0,0,0,1.414213562,0.707106781,0.069314718,20.23,34.64267003,2,1.098612289,1.098612289,1.098612289,1.098612289,1.098612289,1.098612289,1.098612289,1.098612289,1.098612289,12.8875106,1.098612289,0,1.098612289,0,1.098612289,0,1.098612289,0,1.098612289,2.564949357,32.02621475,5.337702458,3,1.5,2,2,0,1,0,-0.499,2,1.1366,1.935542304,2.458364266,0,0,0,0,0,0,0,65.00622117,18.26778853,2.497855429,0,0,0,0,0,0,0,176.9578328,127.8001557,76.41516655,0,0,0,0,0,0,0,9.351023774,15.52859921,16.51643182,0,0,0,0,0,0,0,1.219926115,1.123193053,1.093020477,0,0,0,0,0,0,0,180.1414244,349.4267527,454.5949478,0,0,0,0,0,0,0,5.8308,6.596882011,2.458364266,0,0,0,0,0,0,0,0.33344832,0.325796136,0.251736501,0,0,0,0,0,0,0,261.5449188,104.3425331,17.3715687,82.61718636,-32.95986992,-32.95986992,178.9277324,137.302403,50.33143862,0.759946882,0.303178449,0.050474961,0.240053118,-0.095768446,-0.095768446,90.01384984,35.91074584,5.978635654,28.43370478,-11.34353822,-11.34353822,0.524707104,1,17.43460902,82.61718636,228.3176023,115.8445029,0.663401342,0.336598658,97.6798989,9.883314166,4.605411069,144.7719392,12.03212114,5.250832088,97.6798989,9.883314166,4.605411069,1.24880221,1.24880221,20.56735502,19.8374098,4.100793719,1.036796398,5.01545711,4.83745615,1.526238185,1.920479602,2.658420877,0.384248431,1.55103907,0.382801071,3.803393005,0.162582422,1.71E-05,3.48E-31,1.37E-78,1.03E-147,1.51E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.150073012,0.509820955,0.318973065,0.001145082,1.21E-07,2.45E-33,9.62E-81,7.27E-150,1.06E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.365004897,0.273586727,0.672649686,0.01193263,1.26E-06,2.56E-32,1.00E-79,7.58E-149,1.10E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.687012425,0.509352231,4.292833729,0.144858012,1.53E-05,3.10E-31,1.22E-78,9.20E-148,1.34E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.471049241,0.183816763,0.811358085,0.025919267,2.73E-06,5.55E-32,2.18E-79,1.65E-148,2.40E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.053734499,0.462969311,5.418696998,0.237111183,2.50E-05,5.08E-31,1.99E-78,1.51E-147,2.20E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.489857088,1.148234846,4.08306532,0.04064561,4.28E-06,8.71E-32,3.41E-79,2.58E-148,3.76E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844851144,0.299652649,0.278723025,0.593616655,0.21054455,0.552303319,0.326717962,0.333333333,1.423226818,0.572161443,2.065950307,0.390424983,1.212354615,0.709626536,0.091001624,0.052609602,0.831686745,0.106654473,0.585009612,0.033838791,0.011875806,0.853237762,0.106697896,0.963333036,0.747530117,0.630724209,0.672880327,0.210057973,0.161896368,0.644006509,0.201044222,0.387193901,0.194546606,0.112462378,1.044834668,0.284288381,1.352006109,0.466009763,0.694202885,0.839156786,0.296322764,0.258510287,0.601981998,0.212571682,0.557139413,0.341891149,0.286740283,1.393989837,0.542194402,2.000465732,0.402972996,1.185770846,0.706874105,0.241332494,0.216981135,0.606661128,0.207118979,0.390313808,0.219024545,0.202011923,1.165187734,0.376334634,1.578537547,0.409991692,0.811350276,0.865681689,0.308496199,0.286875063,0.592505349,0.211146488,0.579902852,0.346356308,0.353117018,1.461052951,0.603901866,2.141567531,0.388758023,1.279376178,0.837859059,0.29634228,0.261302836,0.600398819,0.212354994,0.552789334,0.337855044,0.29296875,1.395504175,0.544663091,2.005046948,0.400598229,1.183613128 +UMLKV0173,L,ETHANOL,CCO,C2H6O,Alcohol,Alcohols,64-17-5,1.777358532,PubChem,,1.1031,0,-0.1076,0.01157776,12.5551,8.322758,0,0,9,3,6,0,2,0,1,0,0,0,0,0,0,0,550.592627,413.090542,301.124757,68.616576,3.048192,0,0,0,0,1249.927047,1381.943116,1279.511439,609.4474637,93.25123329,0,0,0,0,68.743532,62.633728,98.555868,89.278848,20.155392,0,0,0,0,8.888681429,10.23072954,10.86859345,6.274751507,1.333838715,0,0,0,0,1548.54591,1230.9347,2182.117776,2188.016594,554.7529561,0,0,0,0,48.25,27,38,28,3,0,0,0,0,61.17695856,51.63631775,23.16344285,5.718048,1.016064,0,0,0,0,138.880783,172.7428895,98.42395687,50.78728864,31.08374443,0,0,0,0,7.638170222,7.829216,7.581220615,7.439904,6.718464,0,0,0,0,0.98763127,1.278841192,0.83604565,0.522895959,0.444612905,0,0,0,0,172.0606567,153.8668375,167.8552136,182.3347162,184.917652,0,0,0,0,5.361111111,3.375,2.923076923,2.333333333,1,0,0,0,0,0.212328611,-0.099523291,-0.015583991,-0.006955538,0.015898515,0,0,0,0,314.7756536,-63.89650894,-116.86383,-27.32296963,50.69548181,0,0,0,0,363.4566524,-88.00132618,-193.0207684,42.54529023,56.74847822,0,0,0,0,0.966731556,-0.138220938,-0.184296691,-0.230362963,0.069514815,0,0,0,0,1.521513891,-0.379058755,-0.895815807,0.344245746,0.169871871,0,0,0,0,8.524803221,-2.095152562,-5.003585488,2.03320091,0.80313553,0,0,0,0,21.55555556,-4.382716049,-2.663580247,-5.296296296,1.564814815,0,0,0,0,0.023592068,-0.012440411,-0.001198769,-5.80E-04,0.005299505,0,0,0,0,34.97507262,-7.987063617,-8.989525387,-2.276914136,16.89849394,0,0,0,0,40.38407248,-11.00016577,-14.84775142,3.545440852,18.91615941,0,0,0,0,0.107414617,-0.017277617,-0.014176669,-0.019196914,0.023171605,0,0,0,0,0.169057099,-0.047382344,-0.068908908,0.028687145,0.056623957,0,0,0,0,0.947200358,-0.26189407,-0.384891191,0.169433409,0.267711843,0,0,0,0,2.395061728,-0.547839506,-0.204890788,-0.441358025,0.521604938,0,0,0,0,-0.527313308,-0.050812357,-0.024568774,0.224630796,0,0,0,0,-0.228364461,-0.25702664,-0.065101055,0.483158223,0,0,0,0,-0.272388719,-0.367663549,0.087793049,0.468406435,0,0,0,0,-0.160849777,-0.131980813,-0.178717888,0.215721152,0,0,0,0,-0.280274207,-0.407607304,0.169689091,0.334939835,0,0,0,0,-0.276492791,-0.406346121,0.178878109,0.282634863,0,0,0,0,-0.228737113,-0.085547185,-0.184278351,0.217783505,0,0,0,0,1.362086589,0.843193013,1.018268754,0.640857691,0,0,0,0,1.343757467,1.164942368,0.842140789,0,0,0,0,0,1.710703317,1.313971252,0.436062266,0,0,0,0,0,1.071077068,1.025644043,1.174834241,0,0,0,0,0,1.907253819,1.380918473,0.232502442,0,0,0,0,0,1.929307462,1.384601509,0.213810057,0,0,0,0,0,1.136597938,0.984932593,1.175257732,0,0,0,0,0,4.730475337,2.490237669,4.158938287,4.81380867,1.60460289,2.625920833,0.25,0.039532628,0.013177543,-0.969188679,5.769144711,1.923048237,0.525757152,4.732622817,2.490944198,4.16047066,4.815711343,1.605237114,2.626501376,0.249265579,0.039389126,0.013129709,-0.970279649,5.778099001,1.926033,0.526222421,6.642353015,3.121679268,5.787958589,6.509354855,2.169784952,3.185504841,-0.398994478,0.02741894,0.009139647,-1.078956376,5.910236074,1.970078691,0.533005733,4.734876667,2.491685733,4.162079956,4.817708267,1.605902756,2.627110844,0.2484948,0.039238659,0.013079553,-0.971427844,5.787544407,1.929181469,0.526712428,8.671219128,3.794462432,7.741981671,8.310454374,2.770151458,3.825778388,-1.082294264,0.034659876,0.011553292,-1.008651773,4.697206729,1.565735576,0.464090406,4.955509715,2.56432195,4.324553094,5.01322111,1.671073703,2.687570852,0.173134186,0.025291661,0.008430554,-1.103184163,7.024877856,2.341625952,0.584837348,3.685520208,2.176093437,3.518853542,3.90774243,1.30258081,2.390542919,0.666666667,0.190604592,0.063534864,-0.497266259,3.74944391,1.249814637,0.396482262,0,11.99668808,15.99794144,-0.422125211,0.066940864,3.312473146,4.351780764,2,8,8,8,2,0,0,0,0,0,6.559242,3.159863642,2.133604852,1.244091518,0.083923071,0.083923071,0.083923071,0.391069962,0.911191698,1.651500167,0.911191698,0.391069962,0.083923071,0.083923071,0.083923071,1.244091518,2.133604852,3.122199848,2.025860671,1.192988938,0.270913902,0.270913902,0.270913902,0.33638398,0.8681387,1.608985968,0.8681387,0.33638398,0.270913902,0.270913902,0.270913902,1.192988938,2.025860671,3.353704786,2.463557672,1.770563932,0.943918427,0.943918427,0.943918427,0.287845774,0.386634713,1.326619389,0.386634713,0.287845774,0.943918427,0.943918427,0.943918427,1.770563932,2.463557672,3.133535153,2.034425485,1.20896877,0.399277246,0.399277246,0.399277246,0.275176497,0.840005264,1.58367639,0.840005264,0.275176497,0.399277246,0.399277246,0.399277246,1.20896877,2.034425485,3.417682016,2.562928599,1.93180127,1.207644823,1.207644823,1.207644823,0.449104874,0.271694726,1.257501492,0.271694726,0.449104874,1.207644823,1.207644823,1.207644823,1.93180127,2.562928599,4.148507172,2.890490184,1.719796312,0.571428571,0.571428571,0.571428571,0.270744147,0.49630498,1.390375691,0.49630498,0.270744147,0.571428571,0.571428571,0.571428571,1.719796312,2.890490184,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.707106781,1.414213562,0.707106781,0,0,0,0,0,0.902368927,0.707106781,0.707106781,0,0,0,0,0,2.154320377,1.023334547,0.316227766,0,0,0,0,0,0.718106792,0.511667274,0.316227766,0,0,0,0,0,4.340282516,8.994173343,8.525490196,8.68,4.875902994,70.49659162,0.482253613,0.999352594,0.947276688,0.964444444,0.541766999,7.832954624,-0.0014,12.7598,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,6,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.838888889,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0.838888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.761111111,0,0,0,0,0,0,0,0,0,0,0,1.680555556,0,0.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.838888889,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0.838888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,1.680555556,0,0.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.838888889,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0.838888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.680555556,0,0.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.5,3.166666667,0.838888889,7.569444444,0.311111111,0.25,0.8465,1.25,1.569444444,3.138888889,1.25,1.569444444,3.138888889,1.33333,0.44444,0,0.05556,0.51852,0.95556,0.40909,0.51852,0.79167,0.10943,0,-0.10943,0.16389,0.46511,0.24918,0,0.625,0,0,1.25,0.41667,1.25,0.41667,0,0,-1.25,-0.41667,0,0,1.38742,0.46247,1.91421,0.52679,0.1756,1.05409,0.35136,1.41421,0.36012,0.12004,0,0,0,0,0,2.01,1,1,1,1,1,1,1,1.224394445,1.879964949,2.419381946,2.067168057,0.880534723,0,11.01955001,16.91968454,21.77443751,18.60451251,7.924812504,0,0.386253443,0.593062911,0.763230027,0.652118916,0.277777778,0,1.945530556,1.289960053,0.750543056,1.102756945,2.289390279,3.169925001,0.408131482,0.626654983,0.806460649,0.689056019,0.293511574,0,11.81312432,14.91653023,15.46016819,11.23360152,0.887424935,0,10.94402779,9.752038633,9.945865283,7.832581948,1.93717639,0,3,2,0,3,0,2,1.57,0.4491,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.385,0.375,0.449,0.205,1.622,1,0,0,0,0,0,0,0,0,6,1.098612289,0.693147181,0,0,0,0,0,0,0,0,1.945910149,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,1,0,1,2,1,0.5,0,0,0,0,0,0,0,0,0,0.25,0,0,0,0,0,0,0,0,0,0.25,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,20.23,51.93865465,2.584962501,1.945910149,2.197224577,2.564949357,2.833213344,3.218875825,3.496507561,3.891820298,4.17438727,4.574710979,33.89759936,1.609437912,0,2.197224577,0,2.833213344,0,3.496507561,0,4.17438727,4.852030264,46.04186481,5.115762757,4.914213562,1.638071187,2.207106781,2.207106781,0,4,0,-0.076,6,1.179,2.039621484,2.690252074,2.585857014,0,0,0,0,0,0,71.46196751,52.41409996,15.50586807,2.627396221,0,0,0,0,0,0,223.1511392,210.8454762,135.2663874,80.37811856,0,0,0,0,0,0,9.260396696,15.56323393,20.09991093,17.37298726,0,0,0,0,0,0,1.603234363,1.754174552,1.384289066,1.149705399,0,0,0,0,0,0,179.3332147,340.3084459,491.758025,478.1706075,0,0,0,0,0,0,4.107,6.269674325,6.420524916,2.585857014,0,0,0,0,0,0,0.382271138,0.444686467,0.373633365,0.264791758,0,0,0,0,0,0,298.7437975,130.7948074,15.7399288,107.7993422,-47.19627428,-19.16417319,190.9444552,177.9910817,34.90410199,0.734839106,0.321724301,0.038716503,0.265160894,-0.116091676,-0.047139335,121.4522414,53.17373165,6.398960071,43.82508304,-19.18732153,-7.791063138,0.478992453,0.904455144,13.48908246,37.42616424,337.0019819,69.54115779,0.828945194,0.171054806,159.761468,12.63967832,5.426136078,226.2275805,15.04086369,6.093243262,194.2362104,13.93686516,5.791308925,1.246666748,1.090791249,59.27156138,50.14278498,15.82885798,1.182055632,3.744525438,3.167808128,2.219699476,2.151830091,3.096569067,0.439039765,2.108840177,1.333680365,2.703243702,0.34122013,4.709543889,1.71E-07,7.15E-36,5.78E-86,8.99E-158,2.70E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.196885394,1.458312793,0.256709768,0.192020866,0.115613464,1.91E-08,8.00E-37,6.46E-87,1.01E-158,3.02E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.516120971,1.222238178,0.568159037,0.119127664,0.440305257,3.31E-08,1.39E-36,1.12E-86,1.74E-158,5.23E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.213531168,1.459969432,3.046176936,0.37723783,4.48345045,2.15E-07,8.98E-36,7.25E-86,1.13E-157,3.39E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.69376653,1.13267509,0.695984081,0.100706218,0.776250224,3.28E-08,1.37E-36,1.11E-86,1.72E-158,5.18E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.727360118,1.414950657,3.723437008,0.462486214,6.870082256,2.50E-07,1.04E-35,8.44E-86,1.31E-157,3.95E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.2191444,2.054710013,3.67844634,0.66748152,2.822856921,3.35E-07,1.40E-35,1.13E-85,1.76E-157,5.29E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.065241611,0.726116837,0.369336683,0.493008752,0.336057052,0.720983372,0.532985397,0.444427299,2.160695131,1.435104257,3.88147757,0.243598707,1.698396068,1.181393591,0.271029468,0.072730521,0.774606313,0.177706344,0.762014049,0.067458172,0.017234125,1.52515358,0.425827962,1.974269308,0.661909469,0.846706346,0.988721554,0.483275124,0.207480959,0.588707781,0.287753236,0.593756192,0.231844115,0.140253055,1.679477637,0.783235814,2.561852943,0.383061672,0.965853362,1.105275958,0.699305181,0.348849548,0.513262843,0.324740046,0.727510236,0.480281895,0.396489936,2.153430688,1.40245252,3.825517816,0.269894265,1.604282067,0.950314392,0.569455504,0.272197704,0.530318959,0.317782254,0.608255515,0.330915281,0.241393046,1.7919676,0.954839638,2.894110227,0.295478438,1.180563843,1.087144233,0.749813252,0.38394547,0.48950551,0.337616396,0.738982019,0.565250844,0.480280478,2.220902956,1.520446659,4.054324743,0.240682859,1.784513342,1.102789892,0.700746855,0.350245722,0.512024732,0.325356374,0.726813979,0.483250842,0.399669968,2.153782468,1.404457578,3.828901726,0.268037099,1.609734789 +UMLKV0174,L,N-PROPANOL,CCCO,C3H8O,Alcohol,Alcohols,71-23-8,2.063225818,PubChem,,1.847,0,-0.6854,0.46977316,16.0871,11.416344,0,0,12,4,8,0,3,0,1,0,0,0,0,0,0,0,696.888876,581.568839,494.833294,309.253269,68.616576,3.048192,0,0,0,1735.611438,2034.933251,2193.058551,1528.181395,609.4474637,93.25123329,0,0,0,89.720976,84.409508,141.285376,152.30358,89.278848,20.155392,0,0,0,12.56680724,15.24671816,18.5562836,14.42549669,6.274751507,1.333838715,0,0,0,2045.17557,1663.974151,3106.319975,3661.458992,2188.016594,554.7529561,0,0,0,52.5,32.25,45,46,28,3,0,0,0,58.074073,52.86989445,26.04385758,14.72634614,5.718048,1.016064,0,0,0,144.6342865,184.9939319,115.4241343,72.77054261,50.78728864,31.08374443,0,0,0,7.476748,7.673591636,7.436072421,7.252551429,7.439904,6.718464,0,0,0,1.047233937,1.386065287,0.976646505,0.686928414,0.522895959,0.444612905,0,0,0,170.4312975,151.2703774,163.490525,174.3551901,182.3347162,184.917652,0,0,0,4.375,2.931818182,2.368421053,2.19047619,2.333333333,1,0,0,0,0.217026391,-0.100885917,-0.026567368,0.025323518,-0.020907211,0.014523782,0,0,0,395.928108,-64.994009,-162.036018,12.969973,-31.904,48,0,0,0,514.4985023,-83.59670822,-254.7602477,-32.94320824,52.96816353,61.08274955,0,0,0,1.005444,-0.116045,-0.165161,-0.039271,-0.230632,0.048387,0,0,0,2.213391858,-0.321809643,-1.07713566,-0.368742892,0.454951784,0.206040482,0,0,0,12.32382793,-1.706534756,-5.806729951,-2.416646497,2.748673595,1.019323642,0,0,0,22.41666667,-3.506944444,-3.951388889,0.479166667,-5.25,1.020833333,0,0,0,0.018085533,-0.009171447,-0.001398283,0.001205882,-0.001742268,0.004841261,0,0,0,32.994009,-5.908546273,-8.528211474,0.617617762,-2.658666667,16,0,0,0,42.87487519,-7.599700747,-13.40843409,-1.568724202,4.414013627,20.36091652,0,0,0,0.083787,-0.010549545,-0.008692684,-0.001870048,-0.019219333,0.016129,0,0,0,0.184449322,-0.029255422,-0.056691351,-0.017559185,0.037912649,0.068680161,0,0,0,1.026985661,-0.155139523,-0.305617366,-0.115078405,0.229056133,0.339774547,0,0,0,1.868055556,-0.318813131,-0.207967836,0.02281746,-0.4375,0.340277778,0,0,0,-0.507115117,-0.077314976,0.0666766,-0.096334879,0.26768692,0,0,0,-0.179079368,-0.258477576,0.018719088,-0.080580286,0.484936523,0,0,0,-0.177253012,-0.312734067,-0.036588426,0.102951055,0.474891564,0,0,0,-0.125909096,-0.10374741,-0.022319066,-0.229383238,0.19250003,0,0,0,-0.15860954,-0.307354617,-0.095197885,0.20554507,0.372352472,0,0,0,-0.151062989,-0.29758679,-0.112054539,0.223037323,0.330846437,0,0,0,-0.170665765,-0.111328507,0.012214551,-0.234200743,0.182156134,0,0,0,1.373588803,0.828733536,0.7355153,1.420866705,0.88278808,0,0,0,1.374108413,1.225386496,0.788344417,0.920602608,0,0,0,0,1.646057103,1.379922723,0.790098298,0.423564655,0,0,0,0,1.053425153,0.955075097,0.839404757,1.553199714,0,0,0,0,1.765768429,1.419546911,0.808001949,0.219759587,0,0,0,0,1.778171464,1.414712711,0.815249035,0.203361888,0,0,0,0,1.104089219,0.962042653,0.806160382,1.553903346,0,0,0,0,9.436347219,4.843173609,7.973149273,9.561347219,2.390336805,4.859074871,0.25,0.047305819,0.011826455,-1.220448784,8.113795335,2.028448834,0.837426296,9.438954437,4.844110008,7.974815567,9.563587226,2.390896807,4.859992727,0.249265579,0.047164977,0.011791244,-1.221641472,8.113993232,2.028498308,0.837436052,11.74463569,5.672820608,9.680698805,11.54513845,2.886284614,5.678948819,-0.398994478,0.064669834,0.016167459,-1.095384171,10.67732694,2.669331735,0.947249006,9.441690741,4.84509277,7.976565015,9.565938141,2.391484535,4.860956056,0.2484948,0.047017157,0.011754289,-1.22289708,8.114205505,2.028551376,0.837446517,14.18213106,6.549918397,11.84239416,13.64098393,3.410245982,6.552360016,-1.082294264,0.131663139,0.032915785,-0.811003438,15.67652603,3.919131508,1.100865775,9.709291821,4.941213004,8.150918699,9.795858914,2.448964729,4.955306329,0.173134186,0.032566995,0.008141749,-1.369782376,8.158234171,2.039558543,0.839611098,8.628179484,4.647423075,7.730225728,8.961512817,2.240378204,4.670393392,0.666666667,0.099774923,0.024943731,-0.921935361,7.014155172,1.753538793,0.77917211,0,11.99654878,15.99794171,-0.421734983,0.06940086,3.629588158,5.362254858,3,11,11,11,3,0,0,0,0,0,8.745656,3.295074073,2.558186649,1.693064967,1.165187119,0.083923071,0.083923071,0.083923071,0.083923071,1.756765994,1.210417063,0.689354378,0.387254117,0.083923071,0.083923071,0.083923071,0.083923071,3.286704795,2.493944958,1.641898074,1.165693778,0.270913902,0.270913902,0.270913902,0.270913902,1.706059039,1.163697924,0.600720609,0.319309321,0.270913902,0.270913902,0.270913902,0.270913902,3.471885261,2.824623271,2.110612408,1.729746219,0.943918427,0.943918427,0.943918427,0.943918427,1.467474198,0.778325847,0.083361015,0.29863039,0.943918427,0.943918427,0.943918427,0.943918427,3.302741229,2.506561968,1.67399618,1.193770616,0.399277246,0.399277246,0.399277246,0.399277246,1.675343617,1.134276972,0.54425677,0.245844131,0.399277246,0.399277246,0.399277246,0.399277246,3.534410558,2.909521409,2.246249391,1.905730969,1.207644823,1.207644823,1.207644823,1.207644823,1.403651274,0.684348486,0.064396503,0.467656294,1.207644823,1.207644823,1.207644823,1.207644823,4.283919275,3.202029034,2.259907779,1.58277142,0.6,0.6,0.6,0.6,1.545007308,0.830686129,0.263261865,0.310327795,0.6,0.6,0.6,0.6,0,0,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,2.861427158,1.523334547,0.723606798,0.223606798,0,0,0,0,0.715356789,0.507778182,0.361803399,0.223606798,0,0,0,0,5.88211032,11.8820102,11.25098039,11.44,6.674457485,93.52484671,0.49017586,0.990167516,0.937581699,0.953333333,0.55620479,7.793737226,0.3887,17.3768,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.776388889,0,7.875,0,0,0,0,0,0,0,0,0,0,0.776388889,0,0,0,0,0,0,0,0,0,0,0,0,0,1.023611111,0,0,0,0,0,0,0,0,0,0,0,1.930555556,0,1.194444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.776388889,0,7.875,0,0,0,0,0,0,0,0,0,0,0.776388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.930555556,0,0.319444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.776388889,0,7.875,0,0,0,0,0,0,0,0,0,0,0.776388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.930555556,0,0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,2.75,0.776388889,7.875,0.2625,0.319444444,1.409722222,1.180555556,1.875,3.75,1.180555556,1.875,3.75,1.83333,0.45833,0,0.04167,0.49722,0.89167,0.41429,0.49722,0.77333,0.08294,0,-0.08294,0.11833,0.51402,0.20027,0,0.45454,0,0,1.75,0.4375,1.75,0.4375,0,0,-1.75,-0.4375,0,0,2.35011,0.58753,2.95465,0.60455,0.15114,1.57596,0.39399,1.91421,0.33826,0.08456,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3.01,1,1,1,1,1,1,1,1.188721876,1.947338796,2.855388542,2.855388542,2.257894792,0.798746875,14.26466251,23.36806555,34.26466251,34.26466251,27.09473751,9.584962501,0.331585582,0.54319642,0.796490491,0.796490491,0.629823824,0.222804806,2.396240625,1.637623705,0.729573959,0.729573959,1.327067709,2.786215626,0.343617682,0.562907151,0.825392393,0.825392393,0.652677966,0.230889627,11.17145733,16.29155673,17.20671199,17.20671199,10.03678699,0.804997095,14.509775,11.24139657,11.28947396,11.28947396,7.70451146,1.798746875,4,3,4,4,0,3,1.68,0.59,0,1.414213562,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.385,0.375,0.449,0.205,2.121,2,1,0,0,0,0,0,0,0,10,1.386294361,1.098612289,0.693147181,0,0,0,0,0,0,0,2.397895273,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.333333333,3,1,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,20.23,69.23463928,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,60.05751488,5.004792906,6.871320344,1.717830086,2.310660172,2.310660172,0,10,1,0.282,10,1.198272727,2.077931494,2.770800689,3.292850868,4.213152135,0,0,0,0,0,74.39639766,60.36207915,49.05203673,22.50305571,4.280832211,0,0,0,0,0,244.1480966,254.9751241,212.8978008,181.3061656,130.9605442,0,0,0,0,0,9.21920257,15.52277764,20.20184536,25.10873145,28.30591095,0,0,0,0,0,1.777465386,2.115417001,1.941439794,1.765717314,1.87322181,0,0,0,0,0,178.9658466,336.9288268,481.7114633,599.2994685,779.0862005,0,0,0,0,0,3.601977273,5.087890486,6.483367856,8.801775674,4.213152135,0,0,0,0,0,0.404463327,0.497086781,0.484693426,0.486419157,0.431426779,0,0,0,0,0,284.445133,139.8236403,12.9365236,171.8633705,-84.48224034,-22.10573609,112.5817625,224.3058806,35.04225969,0.623361456,0.306423482,0.028350389,0.376638544,-0.185142814,-0.048444717,129.794733,63.80271605,5.903045726,78.42271739,-38.54996466,-10.08703535,0.42664308,0.805009682,8.711475957,32.07314073,396.0479213,60.2605822,0.867938945,0.132061055,221.8430372,14.89439617,6.053621557,307.6832218,17.5409014,6.75099736,293.6101966,17.13505753,6.646459733,1.677287708,1.515443914,136.0812843,125.5418916,20.56870743,1.083951202,6.615937574,6.103538203,2.717285248,2.359935319,4.338526665,0.838409142,2.666641284,2.279835686,3.00452129,5.39886256,1.948515719,0.040413221,0.457740448,0.159716805,1.99E-19,5.17E-59,2.60E-120,2.51E-203,4.69E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.243697775,2.406771359,0.278855958,1.290270579,0.015619095,0.023349419,0.00525256,0.016570296,2.22E-20,5.78E-60,2.90E-121,2.81E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.667237046,2.170542916,0.641725243,1.551658909,0.147879911,0.015062923,0.035880019,0.02945474,3.85E-20,1.00E-59,5.03E-121,4.87E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.740049911,2.406377657,3.32838215,5.190543721,1.737397863,0.043864114,0.41418606,0.196134843,2.50E-19,6.50E-59,3.26E-120,3.16E-203,5.89E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.91648382,2.08078031,0.806503065,1.861412137,0.316550466,0.013300876,0.073738521,0.030229186,3.81E-20,9.92E-60,4.98E-121,4.82E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.400985737,2.360042533,4.09749016,7.271374028,2.835544617,0.053247833,0.66739869,0.233242025,2.91E-19,7.56E-59,3.79E-120,3.67E-203,6.85E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.747819299,3.032747502,4.224055298,4.060335625,0.707520573,0.084291752,0.196399551,0.322921198,4.30E-19,1.12E-58,5.61E-120,5.43E-203,1.01E-307,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.000479428,0.72965547,0.414643513,0.636127309,0.232021267,0.549427903,0.576621567,0.499982783,3.14477841,2.59169348,6.341710753,0.454190964,1.626032252,2.194508398,0.25899201,0.083458598,0.865015317,0.102087582,0.671409015,0.071261427,0.02025571,2.536959006,0.773125846,3.357519393,0.797522975,0.762926153,1.862886801,0.479390351,0.229168144,0.724451267,0.186428368,0.48328045,0.244547241,0.152726287,2.571445295,1.429825263,4.20592916,0.5866769,0.880553978,2.080510248,0.698576205,0.395276199,0.655410385,0.220068178,0.59454836,0.528303585,0.45436684,3.174362651,2.551901682,6.300756766,0.483115578,1.577218785,1.777471658,0.579413715,0.297656048,0.669596505,0.218272622,0.43876844,0.358627235,0.257652714,2.65454142,1.731432641,4.692527482,0.504394758,1.055048388,2.044064561,0.752754688,0.433213348,0.632830939,0.233048635,0.572813825,0.614506241,0.545769121,3.230032597,2.750298612,6.646907568,0.449246408,1.733089187,2.082595003,0.699550154,0.396388767,0.655206159,0.220085791,0.595614904,0.529887156,0.456928216,3.178533923,2.559690741,6.315715394,0.482809238,1.582430276 +UMLKV0175,L,ISOPROPANOL,CC(C)O,C3H8O,Alcohol,Alcohols,67-63-0,2.045374132,PubChem,,1.8698,0,-0.4081,0.16654561,17.7599,11.416344,0,0,12,4,8,0,3,0,1,0,0,0,0,0,0,0,696.888876,581.568839,659.779267,200.731104,15.24096,0,0,0,0,1735.611438,2034.933251,2330.12155,1627.560926,466.2561665,0,0,0,0,89.720976,84.409508,141.448924,160.797312,100.77696,0,0,0,0,12.56680724,15.24671816,18.69192421,15.22925273,6.669193573,0,0,0,0,2045.17557,1663.974151,3106.274131,3630.509606,2773.76478,0,0,0,0,53.77777778,32.66666667,53.33333333,59,15,0,0,0,0,58.074073,52.86989445,34.72522458,9.558624,1.016064,0,0,0,0,144.6342865,184.9939319,122.6379763,77.50290123,31.08374443,0,0,0,0,7.476748,7.673591636,7.444680211,7.657014857,6.718464,0,0,0,0,1.047233937,1.386065287,0.983785484,0.725202511,0.444612905,0,0,0,0,170.4312975,151.2703774,163.4881122,172.8814098,184.917652,0,0,0,0,4.481481481,2.96969697,2.807017544,2.80952381,1,0,0,0,0,0.211497882,-0.108781346,0.026211987,-0.061258466,0.038078884,0,0,0,0,395.928108,-64.994009,2.909955,-375.88,240,0,0,0,0,514.4985023,-83.59670822,-117.6972482,-361.3690424,305.4137477,0,0,0,0,1.005444,-0.116045,-0.001613,-0.626999,0.241935,0,0,0,0,2.213391858,-0.321809643,-0.941495052,-0.873593646,1.030202411,0,0,0,0,12.32382793,-1.706534756,-5.85257392,-3.6994235,5.09661821,0,0,0,0,22.62962963,-5.37345679,3.836419753,-15.37962963,5.601851852,0,0,0,0,0.017624823,-0.009889213,0.001379578,-0.00291707,0.002538592,0,0,0,0,32.994009,-5.908546273,0.153155526,-17.89904762,16,0,0,0,0,42.87487519,-7.599700747,-6.194592012,-17.20804964,20.36091652,0,0,0,0,0.083787,-0.010549545,-8.49E-05,-0.029857095,0.016129,0,0,0,0,0.184449322,-0.029255422,-0.049552371,-0.041599697,0.068680161,0,0,0,0,1.026985661,-0.155139523,-0.308030206,-0.176163024,0.339774547,0,0,0,0,1.885802469,-0.488496072,0.201916829,-0.732363316,0.37345679,0,0,0,0,-0.561095736,0.078274728,-0.165509163,0.144035046,0,0,0,0,-0.179079368,0.004641919,-0.54249387,0.484936523,0,0,0,0,-0.177253012,-0.144480701,-0.401355096,0.474891564,0,0,0,0,-0.125909096,-0.001013221,-0.3563452,0.19250003,0,0,0,0,-0.15860954,-0.26865033,-0.225534565,0.372352472,0,0,0,0,-0.151062989,-0.299936229,-0.171534064,0.330846437,0,0,0,0,-0.259038834,0.107072099,-0.388356325,0.198036007,0,0,0,0,1.418358275,0.688978637,1.523505537,0.354256573,0,0,0,0,1.374108413,0.984193625,1.532625171,0,0,0,0,0,1.646057103,1.225690471,1.171678711,0,0,0,0,0,1.053425153,0.860902091,1.812151599,0,0,0,0,0,1.765768429,1.384067982,0.96567884,0,0,0,0,0,1.778171464,1.416866364,0.929507285,0,0,0,0,0,1.188216039,0.764665346,1.82861819,0,0,0,0,0,8.415535113,4.332767557,6.332767557,8.540535113,2.135133778,4.357802113,0.25,3.11E-16,7.78E-17,-14.28248174,3000000,750000,5.965649139,8.41810197,4.333683775,6.333683775,8.54273476,2.13568369,4.358689039,0.249265579,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,10.69675404,5.148879779,7.992769444,10.4972568,2.624314199,5.158633267,-0.398994478,0.073991008,0.018497752,-1.041524683,11.6047489,2.901187226,0.980565761,8.420795947,4.334645373,6.334645373,8.545043347,2.136260837,4.359619941,0.2484948,1.28E-16,3.19E-17,-14.63848017,3000000,750000,5.965649139,13.11705207,6.017378904,10.38837299,12.57590494,3.143976235,6.021343059,-1.082294264,0.129021296,0.032255324,-0.819111121,9.262519914,2.315629979,0.890390456,8.684408104,4.428771145,6.428771145,8.770975197,2.192743799,4.450956534,0.173134186,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,8.48128573,4.536939162,6.796198421,8.777582027,2.194395507,4.559343268,0.592592593,0,0,0,3000000,750000,5.965649139,0,11.99654878,15.99794171,-0.418896895,0.07486602,3.945672571,5.604827833,3,11,11,11,3,0,0,0,0,0,8.745656,3.327298508,2.333552793,2.050718012,0.946297645,0.083923071,0.083923071,0.083923071,0.083923071,1.746619105,1.249629723,0.695691584,0.298205291,0.083923071,0.083923071,0.083923071,0.083923071,3.300264213,2.405454588,1.838320064,0.994263968,0.270913902,0.270913902,0.270913902,0.270913902,1.707186664,1.134540686,0.726187295,0.171933476,0.270913902,0.270913902,0.270913902,0.270913902,3.488000783,2.704236987,2.352126678,1.541750422,0.943918427,0.943918427,0.943918427,0.943918427,1.467944726,0.76031856,0.17761149,0.426096395,0.943918427,0.943918427,0.943918427,0.943918427,3.309694531,2.457539916,1.808832842,1.051813907,0.399277246,0.399277246,0.399277246,0.399277246,1.683357408,1.058262671,0.732913573,0.075999043,0.399277246,0.399277246,0.399277246,0.399277246,3.54281027,2.838982085,2.425511458,1.738493201,1.207644823,1.207644823,1.207644823,1.207644823,1.410422693,0.631337262,0.084145157,0.620073464,1.207644823,1.207644823,1.207644823,1.207644823,4.119428526,2.999154211,2.598486893,1.300176879,0.5625,0.5625,0.5625,0.5625,1.547596572,0.910986893,0.207285284,0.273622241,0.5625,0.5625,0.5625,0.5625,0,0,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0.577350269,0,0,0,0.25819889,0,0,0,0,0,0,0,0,0,3.577350269,1.732050808,1.732050808,0,0,0,0,0,0.894337567,0.577350269,0.577350269,0,0,0,0,0,3.024563865,1.412899428,1.093748049,0,0,0,0,0,0.756140966,0.470966476,0.364582683,0,0,0,0,0,5.88211032,11.8820102,11.25098039,11.44,6.674457485,93.52484671,0.49017586,0.990167516,0.937581699,0.953333333,0.55620479,7.793737226,0.3871,17.3548,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.727777778,0,8.055555556,0,0,0,0,0,0,0,0,0,0,0.727777778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.072222222,0,0,0,0,0,0,0,0,0,0,0,3.444444444,0,0,0,0,0,-0.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.727777778,0,8.055555556,0,0,0,0,0,0,0,0,0,0,0.727777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,1.722222222,0,0,0,0,0,-0.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.727777778,0,8.055555556,0,0,0,0,0,0,0,0,0,0,0.727777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.722222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.33333333,2.833333333,0.727777778,8.055555556,0.311111111,-0.166666667,1.417166667,1.5,2.055555556,4.111111111,1.5,2.055555556,4.111111111,1.83333,0.45833,0,0.04167,0.49722,0.89167,0.41429,0.49722,0.77333,0.08294,0,-0.08294,0.11833,0.51402,0.20027,0,0.72727,0.27273,0,1.75,0.4375,1.75,0.4375,0,0,-1.75,-0.4375,0,0,2.59204,0.64801,3.23204,0.64,0.16,1.42538,0.35635,1.73204,0.30666,0.07667,0.18196,0.04549,0.18196,0.04549,0,3.01,1,1,1,1,1,1,1,1.188721876,1.78067213,2.125814584,1.827067709,0.798746875,0,14.26466251,21.36806555,25.509775,21.9248125,9.584962501,0,0.331585582,0.496705929,0.592980982,0.509647649,0.222804806,0,2.396240625,1.804290371,1.459147917,1.757894792,2.786215626,3.584962501,0.343617682,0.51472968,0.614498223,0.52814101,0.230889627,0,11.17145733,14.29155673,14.63939994,11.05443743,0.804997095,0,14.509775,12.82635907,12.949875,11.15739375,3.298746875,0,4,1.333333333,0,4,0,3,1.68,0.59,0.5,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,1.893,3,0,0,0,0,0,0,0,0,10,1.386294361,1.386294361,0,0,0,0,0,0,0,0,2.397895273,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,1,0,1,2,1,1.5,0,0,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0.5,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,20.23,69.23463928,3,2.564949357,2.944438979,3.610917913,4.007333185,4.691347882,5.093750201,5.783825182,6.188264123,6.880384082,48.76521091,1.945910149,0,2.944438979,0,4.007333185,0,5.093750201,0,6.188264123,6.59441346,60.05751488,5.004792906,6.732050808,1.683012702,2.244016936,2.244016936,0,9,0,0.384,12,1.198272727,2.076943072,2.805640227,3.228527319,0,0,0,0,0,0,74.39639766,81.89830487,27.41007857,3.280390382,0,0,0,0,0,0,244.1480966,274.2656709,220.6704826,100.3547181,0,0,0,0,0,0,9.21920257,15.59979694,21.54758269,21.69074457,0,0,0,0,0,0,1.777465386,2.139642798,2.054210602,1.43544491,0,0,0,0,0,0,178.9658466,336.49182,484.2031792,597.0116913,0,0,0,0,0,0,3.620969697,6.276123874,8.007439692,3.228527319,0,0,0,0,0,0,0.404463327,0.517919812,0.522123073,0.330601197,0,0,0,0,0,0,323.0158077,152.2911023,18.58489037,124.8961512,-58.88433968,-17.44299891,198.1196565,211.175442,36.02788927,0.72115915,0.340002313,0.041492284,0.27884085,-0.131464094,-0.038942918,144.6826432,68.21300597,8.324394652,55.94247977,-26.37499994,-7.812927811,0.445614511,0.83363786,20.21856463,29.55761943,367.0834515,80.82850749,0.819543761,0.180456239,221.8430372,14.89439617,6.053621557,307.6832218,17.5409014,6.75099736,311.9871683,17.6631585,6.782329904,1.116395703,1.013996865,103.2010936,61.52988661,57.90276634,1.677251484,1.782317153,1.062641571,2.737880619,2.151830091,4.10168977,0.906140168,2.666641284,2.27984793,2.391129336,3.009588598,5.417745331,1.106896213,0.909768482,2.58E-07,1.80E-35,2.42E-85,6.30E-157,3.16E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.243697775,2.406771445,0.182410962,2.014260264,0.199033708,0.007918785,0.006407574,1.81E-09,1.27E-37,1.71E-87,4.44E-159,2.22E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.667237046,2.170543815,0.509607697,1.799849596,0.693172711,0.081554856,0.066771859,1.89E-08,1.32E-36,1.78E-86,4.63E-158,2.32E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.740049911,2.406388566,2.424064708,3.268203301,5.169667307,0.986310396,0.810587339,2.29E-07,1.60E-35,2.16E-85,5.61E-157,2.81E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.91648382,2.080782262,0.717208247,1.76361055,1.13262816,0.176845923,0.145037401,4.11E-08,2.87E-36,3.87E-86,1.00E-157,5.04E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.400985737,2.36006039,3.157961151,3.532182775,7.648530938,1.61390492,1.32681183,3.76E-07,2.62E-35,3.54E-85,9.19E-157,4.61E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.532736696,2.569412102,1.905362647,5.124249924,3.286987128,0.350739191,0.287856434,8.15E-08,5.69E-36,7.67E-86,1.99E-157,9.99E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5898373,0.891875508,0.503162273,0.532631101,0.298798269,0.578323397,0.4473766,0.405102154,2.98487508,2.666641205,6.364968662,0.298946651,1.430802151,0.947139307,0.885359432,0.13606429,0.481132325,0.449749091,0.446874843,0.180505287,0.030401318,1.96856303,1.08789636,3.170557286,0.396322123,0.657781447,1.25969932,0.75604263,0.301873452,0.543532511,0.326215743,0.361736148,0.314356763,0.149759726,2.317615402,1.560885369,4.166000938,0.315298767,0.825852637,1.531621301,0.940596569,0.480650409,0.518689341,0.318536582,0.538051625,0.502384074,0.370522961,2.952868279,2.628910271,6.274221668,0.278034011,1.41095866,1.416552926,0.714561015,0.378732794,0.564398179,0.284703048,0.45734793,0.280855925,0.235021881,2.509846735,1.819336234,4.712541415,0.346597268,0.973225737,1.615719094,0.925121375,0.522569347,0.527425056,0.301990733,0.597984065,0.483645396,0.435464262,3.063409816,2.822501614,6.667014786,0.291137584,1.517093723,1.540230909,0.935786445,0.481798681,0.52073249,0.316377501,0.543880866,0.496424999,0.372164064,2.957816035,2.634269102,6.286514683,0.281098735,1.412469929 +UMLKV0176,L,N-BUTANOL,CCCCO,C4H10O,Alcohol,Alcohols,71-36-3,2.287458636,PubChem,,2.3817,0,-0.9734,0.94750756,18.9987,14.50993,0,0,15,5,10,0,4,0,1,0,0,0,0,0,0,0,843.185125,750.047136,688.541831,506.009998,309.253269,68.616576,3.048192,0,0,2221.295828,2687.923385,3106.605663,2534.97974,1528.181395,609.4474637,93.25123329,0,0,110.69842,106.185288,184.014884,215.18848,152.30358,89.278848,20.155392,0,0,16.24493305,20.26270678,26.24397374,23.44702555,14.42549669,6.274751507,1.333838715,0,0,2541.80523,2097.013603,4030.522174,5140.414147,3661.458992,2188.016594,554.7529561,0,0,56.75,37.5,54.25,56,46,28,3,0,0,56.21234167,53.57479543,27.54167324,16.86699993,14.72634614,5.718048,1.016064,0,0,148.0863886,191.9945275,124.2642265,84.49932466,72.77054261,50.78728864,31.08374443,0,0,7.379894667,7.584663429,7.36059536,7.172949333,7.252551429,7.439904,6.718464,0,0,1.082995537,1.447336198,1.04975895,0.781567518,0.686928414,0.522895959,0.444612905,0,0,169.453682,149.7866859,161.220887,171.3471382,174.3551901,182.3347162,184.917652,0,0,3.783333333,2.678571429,2.17,1.866666667,2.19047619,2.333333333,1,0,0,0.221463872,-0.100613777,-0.030158905,0.016432609,0.011322932,-0.022190869,0.014476074,0,0,476.9038497,-65.66428988,-205.3403696,10.64104747,10.00488171,-34.51124805,46.41805345,0,0,665.1575892,-80.97945498,-321.9485115,-25.78042202,-27.158369,59.52809795,63.75986495,0,0,1.034995733,-0.103350151,-0.159895289,-0.017675733,-0.050654293,-0.223464853,0.037542453,0,0,2.896898448,-0.288018268,-1.322907936,-0.282437247,-0.312574207,0.528072509,0.229415925,0,0,16.06108614,-1.477481838,-7.038127154,-1.840667446,-2.063026849,3.227370407,1.161389809,0,0,23,-3,-3.5,-1,0.25,-5,0.75,0,0,0.014764258,-0.007186698,-0.001206356,5.48E-04,5.39E-04,-0.001849239,0.004825358,0,0,31.79358998,-4.69030642,-8.213614782,0.354701582,0.476422938,-2.875937338,15.47268448,0,0,44.34383928,-5.784246784,-12.87794046,-0.859347401,-1.293255667,4.960674829,21.25328832,0,0,0.068999716,-0.007382154,-0.006395812,-5.89E-04,-0.002412109,-0.018622071,0.012514151,0,0,0.193126563,-0.020572733,-0.052916317,-0.009414575,-0.014884486,0.044006042,0.076471975,0,0,1.070739076,-0.105534417,-0.281525086,-0.061355582,-0.098239374,0.268947534,0.387129936,0,0,1.533333333,-0.214285714,-0.14,-0.033333333,0.011904762,-0.416666667,0.25,0,0,-0.486763256,-0.081707878,0.037099977,0.036519765,-0.125251064,0.326826979,0,0,-0.147523649,-0.258341848,0.011156387,0.014984874,-0.090456515,0.486660503,0,0,-0.130440821,-0.290411039,-0.019379184,-0.029164269,0.111868411,0.479283902,0,0,-0.106988175,-0.092693303,-0.008539037,-0.034958249,-0.269886201,0.181365257,0,0,-0.106524618,-0.273998131,-0.048748213,-0.077071149,0.227861158,0.395968186,0,0,-0.098562217,-0.262925948,-0.057302085,-0.091749125,0.251179339,0.361553944,0,0,-0.139751553,-0.091304348,-0.02173913,0.007763975,-0.27173913,0.163043478,0,0,1.375356834,0.821897727,0.682609768,0.955591794,1.778836743,1.101933178,0,0,1.394650417,1.268349503,0.82002349,0.832984371,0.972731675,0,0,0,1.611680217,1.411508446,0.860363598,0.777814511,0.416979426,0,0,0,1.046261318,0.923104559,0.747867302,1.037829721,1.920357031,0,0,0,1.696559902,1.438220674,0.874263773,0.785729024,0.213701818,0,0,0,1.704790797,1.431225051,0.874997207,0.796152674,0.198598347,0,0,0,1.086956522,0.919130435,0.755797101,1,1.927536232,0,0,0,15.58105062,7.915525311,12.90613438,15.73105062,3.146210125,7.916384149,0.25,0.042274287,0.008454857,-1.581788125,20.35201016,4.070402032,1.506589843,15.5839676,7.916616588,12.90787342,15.73352694,3.146705389,7.91747431,0.249265579,0.042152822,0.008430564,-1.583226827,20.37612714,4.075225429,1.507181989,18.17335956,8.88718254,14.62523348,17.93396287,3.586792574,8.887473149,-0.398994478,0.067863368,0.013572674,-1.345129442,18.45809032,3.691618063,1.457751387,15.58702903,7.917761913,12.90969902,15.73612591,3.147225181,7.918618465,0.2484948,0.042025321,0.008405064,-1.58474148,20.4015556,4.08031112,1.507805576,20.92491722,9.921311478,16.81537439,20.27554066,4.055108132,9.921410763,-1.082294264,0.165794853,0.033158971,-0.89850204,16.8959111,3.379182221,1.413535823,15.88658753,8.029860858,13.0905476,15.99046804,3.198093608,8.030611345,0.173134186,0.029457388,0.005891478,-1.762405261,23.67108217,4.734216433,1.582127071,15.0798354,7.873251034,13.0596608,15.4798354,3.09596708,7.87430683,0.666666667,0.07956853,0.015913706,-1.265568308,15.27104498,3.054208996,1.362979275,0,11.99646149,15.99794197,-0.421714133,0.069647739,3.787719458,5.991011473,4,14,14,14,4,0,0,0,0,0,10.93207,3.373406743,2.825330819,2.096684625,1.461330604,1.128640555,0.083923071,0.083923071,0.083923071,1.817379449,1.40522295,0.924562135,0.599915497,0.386668987,0.083923071,0.083923071,0.083923071,3.379324769,2.790711346,2.051643082,1.457496366,1.156467033,0.270913902,0.270913902,0.270913902,1.763125472,1.353771324,0.851363369,0.484188864,0.313824953,0.270913902,0.270913902,0.270913902,3.540932969,3.055207466,2.435249073,1.941863579,1.712950339,0.943918427,0.943918427,0.943918427,1.547645076,1.030923922,0.407980321,0.049432259,0.301168549,0.943918427,0.943918427,0.943918427,3.397390649,2.806465896,2.075989672,1.507823945,1.189855004,0.399277246,0.399277246,0.399277246,1.729770649,1.322120441,0.80419374,0.410376,0.234438588,0.399277246,0.399277246,0.399277246,3.602427822,3.132201332,2.547487102,2.101334039,1.896289791,1.207644823,1.207644823,1.207644823,1.486825757,0.948908366,0.287628636,0.218036002,0.473196859,1.207644823,1.207644823,1.207644823,4.359181399,3.353072127,2.656208105,1.931392827,1.528813409,0.615384615,0.615384615,0.615384615,1.6342312,1.07411322,0.517367472,0.165020013,0.331294806,0.615384615,0.615384615,0.615384615,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,3.568533939,2.023334547,1.077160188,0.511667274,0.158113883,0,0,0,0.713706788,0.505833637,0.359053396,0.255833637,0.158113883,0,0,0,7.423938123,14.76984705,13.97647059,14.2,8.473011976,116.5531018,0.494929208,0.98465647,0.931764706,0.946666667,0.564867465,7.770206786,0.7788,21.9938,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,1,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.736388889,0,8.06625,0,0,0,0,0,0,0,0,0,0,0.736388889,0,0,0,0,0,0,0,0,0,0,0,0,0,1.263611111,0,0,0,0,0,0,0,0,0,0,0,2.051805556,0,2.381944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.06625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.736388889,0,8.06625,0,0,0,0,0,0,0,0,0,0,0.736388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,2.051805556,0,0.34375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.06625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.736388889,0,8.06625,0,0,0,0,0,0,0,0,0,0,0.736388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.051805556,0,1.09375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.06625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.5,2.5,0.736388889,8.06625,0.24,0.34375,2.034477222,1.15625,2.06625,4.236111111,1.15625,2.06625,4.236111111,2.33333,0.46667,0,0.03333,0.48444,0.85333,0.41765,0.48444,0.76111,0.0668,0,-0.0668,0.09222,0.54687,0.16742,0,0.35714,0,0,2.25,0.45,2.25,0.45,0,0,-2.25,-0.45,0,0,3.42343,0.68469,4.09272,0.66929,0.13386,2.07596,0.41519,2.41421,0.33826,0.06765,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4.01,1,1,1,1,1,1,1,1.158938532,1.871602261,2.923231429,3.056564762,2.605788524,2.020934564,17.38407799,28.07403392,43.84847143,45.84847143,39.08682786,30.31401845,0.296639618,0.479051618,0.748224543,0.782352279,0.666972484,0.517274419,2.747952063,2.035288334,0.983659167,0.850325833,1.301102071,1.885956032,0.304394667,0.491575464,0.767785376,0.802805314,0.684409144,0.530797523,10.66110191,15.77621224,18.30169377,16.97044711,15.11875186,8.8032914,18.1875248,14.100286,12.79750363,13.83934112,11.22434889,6.850389104,5,4,4,5,0,4,1.79,0.7309,0,1.650963624,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.385,0.375,0.449,0.205,2.62,3,2,1,0,0,0,0,0,0,15,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,0,0,2.772588722,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.5,4,1,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,20.23,86.5306239,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,74.07316494,4.938210996,8.849873734,1.769974747,2.362436867,2.362436867,0,20,2,0.851,14,1.209285714,2.097852699,2.802889813,3.435509375,4.700723838,4.960986366,0,0,0,0,76.07321488,64.49502832,57.54419705,66.53786126,28.81132937,5.040679651,0,0,0,0,256.146358,277.922541,256.3916296,288.2198231,244.9540464,154.2060323,0,0,0,0,9.195663069,15.50174037,20.19157947,25.37015006,35.33531078,33.3302083,0,0,0,0,1.87702597,2.303263075,2.285379279,2.562517652,2.465664944,2.205718559,0,0,0,0,178.755922,335.1714249,477.8660488,590.3531373,857.3437606,917.3739505,0,0,0,0,3.313392857,4.682994383,5.467251177,8.673297838,11.62481735,4.960986366,0,0,0,0,0.417144579,0.524334944,0.536461801,0.64135583,0.668289869,0.508005004,0,0,0,0,323.6297928,176.355474,16.30006711,167.566408,-91.31190632,-22.58662632,156.0633847,267.6673803,38.88669344,0.658860537,0.359032651,0.033184432,0.341139463,-0.185897013,-0.045982901,158.9657247,86.62513883,8.006531038,82.30798301,-44.85206147,-11.09446504,0.384863517,0.726159519,13.29882006,27.31854242,419.0209812,72.1752196,0.853062342,0.146937658,283.9246063,16.8500625,6.572556742,389.1388631,19.72660293,7.300762184,396.9481567,19.92355783,7.34927666,1.902541647,1.902541647,257.2527102,241.6123145,28.99894346,1.064733438,8.871106305,8.331762665,3.213164655,3.220194404,5.518792456,0.713807231,3.224442391,3.228352994,3.300854476,9.519065378,3.396591357,0.093761667,2.839393096,4.428327212,0.957153261,2.036328689,1.76E-10,3.08E-42,1.04E-95,6.80E-171,8.56E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290510157,3.355246562,0.300972894,2.297657719,0.025975326,0.023726242,0.34105391,0.194190715,0.133717689,0.216562637,1.96E-11,3.44E-43,1.16E-96,7.60E-172,9.57E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.81835312,3.119021011,0.71493495,2.770282347,0.254564647,0.018976335,0.636498796,0.73049226,0.131717498,0.381618839,3.40E-11,5.96E-43,2.02E-96,1.32E-171,1.66E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.266568655,3.354890369,3.606201414,8.970129942,3.027715508,0.091348411,3.300700798,4.083943143,0.894944248,2.51910812,2.21E-10,3.87E-42,1.31E-95,8.54E-171,1.07E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.139201109,3.029262083,0.916235511,3.350983291,0.547896848,0.021814432,0.728049073,1.188207541,0.183336436,0.387045622,3.37E-11,5.91E-43,2.00E-96,1.30E-171,1.64E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.074611356,3.308579144,4.464332488,12.82309986,4.946913721,0.131044127,3.950430227,5.95734363,1.372053915,2.973853707,2.56E-10,4.50E-42,1.52E-95,9.93E-171,1.25E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.20739713,3.998451051,4.605003377,6.304014578,1.291534239,0.088302127,5.048163791,2.26515694,0.761689797,4.426730606,3.99E-10,7.00E-42,2.37E-95,1.54E-170,1.94E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.104441872,0.78641944,0.44182761,0.716516216,0.181508401,0.576245927,0.594575939,0.533317806,4.332688922,4.160483392,9.571847342,0.574774324,1.704139672,3.36698612,0.301284008,0.090126323,0.895857093,0.080162913,0.677266333,0.085943812,0.022191348,3.758396452,1.345026772,5.194849085,0.84378564,0.785401493,2.938599034,0.513967512,0.241847197,0.795416875,0.139120182,0.516295335,0.253968102,0.159794747,3.694413744,2.345337977,6.40502429,0.693125312,0.930058184,3.2066033,0.761186791,0.423547943,0.730210992,0.173338237,0.614349862,0.556610173,0.490100939,4.391338034,4.121373408,9.546517459,0.595316487,1.661060974,2.832999009,0.609286106,0.312306376,0.754542542,0.162277603,0.480727587,0.355730608,0.266466172,3.754591491,2.801154526,7.094820219,0.631813813,1.102924367,3.158375872,0.815250757,0.463012791,0.711884734,0.183754117,0.596282243,0.638980155,0.585688044,4.43663942,4.414708278,10.04354467,0.5678271,1.820950441,3.213782887,0.762421491,0.424669256,0.730260206,0.173243214,0.617115045,0.558451698,0.492699389,4.400873634,4.138828895,9.580251406,0.595390309,1.668266132 +UMLKV0177,L,ISOBUTANOL,CC(C)CO,C4H10O,Alcohol,Alcohols,78-83-1,2.271796133,PubChem,,2.873,0,0.1242,0.01542564,21.5446,14.50993,0,0,15,5,10,0,4,0,1,0,0,0,0,0,0,0,843.185125,750.047136,809.60784,616.436106,143.329536,6.096384,0,0,0,2221.295828,2687.923385,3331.733076,2948.832557,1405.397394,186.5024666,0,0,0,110.69842,106.185288,184.0386,217.72332,218.86848,40.310784,0,0,0,16.24493305,20.26270678,27.25039803,26.5898303,15.21718044,2.667677429,0,0,0,2541.80523,2097.013603,4035.989087,4944.130765,5485.5391,1109.505912,0,0,0,58.02777778,38.66666667,54.66666667,70.33333333,62,6,0,0,0,56.21234167,53.57479543,32.3843136,20.5478702,4.7776512,1.016064,0,0,0,148.0863886,191.9945275,133.269323,98.29441858,46.8465798,31.08374443,0,0,0,7.379894667,7.584663429,7.361544,7.257444,7.295616,6.718464,0,0,0,1.082995537,1.447336198,1.090015921,0.886327677,0.507239348,0.444612905,0,0,0,169.453682,149.7866859,161.4395635,164.8043588,182.8513033,184.917652,0,0,0,3.868518519,2.761904762,2.186666667,2.344444444,2.066666667,1,0,0,0,0.22100372,-0.103390016,-0.029376669,0.046322052,-0.053439556,0.029382329,0,0,0,476.9038497,-65.66428988,-84.27436056,-205.1629921,23.8136108,92.83610691,0,0,0,665.1575892,-80.97945498,-96.82109803,-528.8738973,246.5759258,127.5197299,0,0,0,1.034995733,-0.103350151,-0.136179289,0.018791467,-0.3718448,0.075084907,0,0,0,2.896898448,-0.288018268,-0.316483651,-2.817756022,1.514976868,0.45883185,0,0,0,16.06108614,-1.477481838,-1.571214465,-16.08214682,8.777520432,2.322779618,0,0,0,23.27037037,-3.989382716,-3.093209877,2.340740741,-8.52962963,1.636296296,0,0,0,0.014733581,-0.007385001,-0.001175067,0.001544068,-0.001781319,0.004897055,0,0,0,31.79358998,-4.69030642,-3.370974422,-6.838766404,0.793787027,15.47268448,0,0,0,44.34383928,-5.784246784,-3.872843921,-17.62912991,8.219197526,21.25328832,0,0,0,0.068999716,-0.007382154,-0.005447172,6.26E-04,-0.012394827,0.012514151,0,0,0,0.193126563,-0.020572733,-0.012659346,-0.093925201,0.050499229,0.076471975,0,0,0,1.070739076,-0.105534417,-0.062848579,-0.536071561,0.292584014,0.387129936,0,0,0,1.551358025,-0.284955908,-0.123728395,0.078024691,-0.284320988,0.272716049,0,0,0,-0.501235986,-0.07975432,0.104799259,-0.120901937,0.332373695,0,0,0,-0.147523649,-0.106026857,-0.215098905,0.024966889,0.486660503,0,0,0,-0.130440821,-0.087336685,-0.397555336,0.185351509,0.479283902,0,0,0,-0.106988175,-0.078944841,0.009078041,-0.17963591,0.181365257,0,0,0,-0.106524618,-0.065549481,-0.486340145,0.261482564,0.395968186,0,0,0,-0.098562217,-0.058696446,-0.500655643,0.27325426,0.361553944,0,0,0,-0.18368159,-0.079754894,0.050294445,-0.183272322,0.175791819,0,0,0,1.389539695,0.809893925,0.644079106,1.312486532,1.100354501,0,0,0,1.394650417,1.126188845,1.132487094,0.77818534,0,0,0,0,1.611680217,1.221972382,1.395988706,0.333583541,0,0,0,0,1.046261318,0.910272661,0.716898543,1.536285625,0,0,0,0,1.696559902,1.243668601,1.50092009,0.170961455,0,0,0,0,1.704790797,1.24061085,1.511709908,0.158878678,0,0,0,0,1.134012414,0.910456788,0.687967531,1.524112685,0,0,0,0,13.92632712,7.08816356,10.60253706,14.07632712,2.815265424,7.090016249,0.25,0.005675938,0.001135188,-2.585759682,12.4729714,2.494594281,1.261782008,13.92923326,7.089249421,10.60453917,14.07879261,2.815758522,7.091099704,0.249265579,0.005841989,0.001168398,-2.571341975,12.47180918,2.494361837,1.261735416,16.51231851,8.056662016,12.611359,16.27292182,3.254584365,8.05729089,-0.398994478,0.13621784,0.027243568,-0.996749957,13.46107532,2.692215064,1.299901106,13.93228334,7.090389069,10.60664112,14.08138022,2.816276043,7.092236831,0.2484948,0.00601625,0.00120325,-2.556645581,12.47059513,2.494119026,1.261686742,19.26143465,9.089570194,15.08429315,18.61205809,3.722411619,9.089785787,-1.082294264,0.221349064,0.044269813,-0.754007174,26.01558515,5.203117031,1.629347894,14.23078816,7.201961175,10.81568961,14.33466868,2.866933735,7.203580376,0.173134186,0.0229788,0.00459576,-1.886591621,12.37984116,2.475968232,1.258034718,15.19901962,7.892912587,12.08714947,15.55110295,3.11022059,7.893825397,0.586805556,0.040294328,0.008058866,-1.605772287,11.27938123,2.255876246,1.211488195,0,11.99646149,15.99794197,-0.421345168,0.071853976,3.945673112,6.6197529,4,14,14,14,4,0,0,0,0,0,10.93207,3.416114232,2.617427588,2.333552793,1.502468948,0.96052669,0.083923071,0.083923071,0.083923071,1.827242846,1.249629723,1.197541044,0.454601709,0.349430602,0.083923071,0.083923071,0.083923071,3.417579556,2.520270316,2.405454588,1.382376701,1.053421808,0.270913902,0.270913902,0.270913902,1.777948972,1.172434023,1.134540686,0.415704701,0.209105972,0.270913902,0.270913902,0.270913902,3.569695903,2.858395339,2.704236987,1.9222596,1.573511089,0.943918427,0.943918427,0.943918427,1.572262975,0.783975778,0.76031856,0.172700941,0.366012371,0.943918427,0.943918427,0.943918427,3.432896708,2.521723674,2.457539916,1.386771089,1.121433591,0.399277246,0.399277246,0.399277246,1.747694586,1.155924666,1.058262671,0.376962464,0.104894844,0.399277246,0.399277246,0.399277246,3.626109758,2.930147916,2.838982085,2.048659295,1.7777981,1.207644823,1.207644823,1.207644823,1.516484896,0.700455145,0.631337262,0.311077822,0.563112515,1.207644823,1.207644823,1.207644823,4.214646979,3.323047619,2.634654398,2.102082053,1.282295295,0.585365854,0.585365854,0.585365854,1.671967161,0.878556837,0.841259084,0.016573927,0.290655055,0.585365854,0.585365854,0.585365854,0,0,0,0,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0.182574186,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.731670646,1.879176595,1.576421036,0.365148372,0,0,0,0,0.746334129,0.469794149,0.394105259,0.182574186,0,0,0,0,7.423938123,14.76984705,13.97647059,14.2,8.473011976,116.5531018,0.494929208,0.98465647,0.931764706,0.946666667,0.564867465,7.770206786,0.6347,21.9238,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.713888889,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0.713888889,0,0,0,0,0,0,0,0,0,0,0,0,0,1.286111111,0,0,0,0,0,0,0,0,0,0,0,3.944444444,0,0.305555556,0,0,0,0.439814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.713888889,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0.713888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.972222222,0,0.305555556,0,0,0,0.439814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.713888889,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0.713888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.972222222,0,0.305555556,0,0,0,0.439814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.83333333,2.566666667,0.713888889,8.143518519,0.2625,0.305555556,2.038199074,1.194444444,2.143518519,4.287037037,1.194444444,2.143518519,4.287037037,2.33333,0.46667,0,0.03333,0.48444,0.85333,0.41765,0.48444,0.76111,0.0668,0,-0.0668,0.09222,0.54687,0.16742,0,0.57143,0.21429,0,2.25,0.45,2.25,0.45,0,0,-2.25,-0.45,0,0,3.71082,0.74216,4.43249,0.72167,0.14433,1.94148,0.3883,2.27005,0.32857,0.06571,0.14395,0.02879,0.14395,0.02879,0,4.01,1,1,1,1,1,1,1,1.158938532,1.871602261,2.606238929,2.606238929,2.085320183,0.789230611,17.38407799,28.07403392,39.09358393,39.09358393,31.27980274,11.83845916,0.296639618,0.479051618,0.667087768,0.667087768,0.533754435,0.202009908,2.747952063,2.035288334,1.300651667,1.300651667,1.821570413,3.117659985,0.304394667,0.491575464,0.684527443,0.684527443,0.547708376,0.207291053,10.66110191,15.77621224,16.51659746,16.51659746,10.26557251,0.795406366,18.1875248,14.100286,14.32892941,14.32892941,11.20341694,3.433086801,5,2.25,4,5,0,3,1.79,0.7309,0.5,1,2,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,2.392,4,2,0,0,0,0,0,0,0,15,1.609437912,1.609437912,1.098612289,0,0,0,0,0,0,0,2.772588722,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,4,1,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,20.23,86.5306239,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,74.07316494,4.938210996,8.696801932,1.739360386,2.329115249,2.329115249,0,18,2,0.579,16,1.209285714,2.096561651,2.851352431,3.344286374,3.468316485,0,0,0,0,0,76.07321488,76.80543541,64.02003241,16.71516709,3.524031521,0,0,0,0,0,256.146358,302.2976243,289.843852,158.2971691,107.8082632,0,0,0,0,0,9.195663069,15.50505884,20.77460662,24.56294982,23.30175944,0,0,0,0,0,1.87702597,2.418954685,2.571443123,1.689597865,1.542058267,0,0,0,0,0,178.755922,334.709255,468.0768022,612.1121639,641.3529409,0,0,0,0,0,3.401261905,4.757655256,6.980042179,7.204908131,3.468316485,0,0,0,0,0,0.417144579,0.545917879,0.609531284,0.445465187,0.355155608,0,0,0,0,0,306.9418817,165.8276765,12.0155002,136.7047763,-73.85579084,-19.05180645,170.2371054,239.6834673,31.06730664,0.691861138,0.37378322,0.027083491,0.308138862,-0.166474354,-0.042943649,136.17374,73.56889447,5.330636506,60.64861711,-32.76587478,-8.452270257,0.38821531,0.731956727,5.298868697,26.28591895,394.0855058,49.56115211,0.888286881,0.111713119,283.9246063,16.8500625,6.572556742,389.1388631,19.72660293,7.300762184,426.4238458,20.65003259,7.526859815,1.200879612,1.130580617,179.7098287,135.8239085,65.28876922,1.323108948,2.752538161,2.080356394,3.14789717,2.359935319,4.338528573,0.83840995,3.224442391,3.228337687,3.497879681,9.887623472,1.883384873,3.056374894,1.563542795,0.159719705,1.99E-19,5.17E-59,2.60E-120,2.51E-203,4.69E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290510157,3.355246454,0.30032813,3.453836287,0.068989824,0.115949819,0.01648176,0.016570317,2.22E-20,5.78E-60,2.90E-121,2.81E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.81835312,3.119019887,0.72417378,4.105063624,0.177692025,0.41970631,0.120990106,0.029454953,3.85E-20,1.00E-59,5.03E-121,4.87E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.266568655,3.354876731,3.780347879,9.642362681,1.702170816,2.780255982,1.411428362,0.196137426,2.50E-19,6.50E-59,3.26E-120,3.16E-203,5.89E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.139201109,3.029259643,0.941304826,4.673280019,0.330006215,0.716651796,0.25109004,0.030229649,3.81E-20,9.92E-60,4.98E-121,4.82E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.074611356,3.30855682,4.758304456,12.46711971,2.719218591,4.219097229,2.280176567,0.233246253,2.91E-19,7.56E-59,3.79E-120,3.67E-203,6.85E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.029534004,3.5637013,4.192285817,8.245402508,0.823038935,1.431948665,0.622124614,0.307362039,4.09E-19,1.06E-58,5.34E-120,5.17E-203,9.64E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.717650828,1.330743151,0.532917763,0.479614999,0.371579814,0.489665089,0.470013718,0.403402704,3.581311742,3.910295374,8.709724998,0.27679222,1.363081512,1.814206572,0.739375104,0.144880377,0.672311315,0.273998704,0.598891541,0.151810169,0.029692784,2.698462052,1.711343048,4.60414462,0.508466973,0.780394495,1.53548206,1.044634718,0.314866623,0.530394081,0.360843077,0.408940468,0.297255016,0.143009104,2.894983401,2.416410525,5.816445616,0.336855737,0.849204588,1.779086881,1.296677832,0.511992006,0.495877235,0.361417435,0.530991562,0.450440279,0.37051687,3.587756719,3.881669465,8.650541831,0.285942005,1.351948712,1.482617035,1.163829847,0.392956045,0.487798778,0.382913972,0.367461028,0.361230219,0.224140046,3.039402927,2.765451257,6.482905324,0.306069125,0.952831293,1.762423391,1.357443506,0.555637128,0.479505227,0.36932173,0.515392247,0.48907746,0.436773037,3.675504024,4.125904068,9.130708903,0.273240436,1.441242744,1.778451708,1.300962438,0.51303564,0.495052628,0.36213796,0.529739673,0.452957425,0.371928684,3.592449786,3.893548076,8.673007842,0.285785883,1.354625782 +UMLKV0178,L,SEC-BUTANOL,CCC(C)O,C4H10O,Alcohol,Alcohols,78-92-2,2.271796133,PubChem,,2.5109,0,-0.6961,0.48455521,20.6715,14.50993,0,0,15,5,10,0,4,0,1,0,0,0,0,0,0,0,843.185125,750.047136,853.487804,562.433806,147.355488,12.192768,0,0,0,2221.295828,2687.923385,3243.668662,2771.42227,1484.369629,373.0049332,0,0,0,110.69842,106.185288,184.178432,223.84576,172.295424,80.621568,0,0,0,16.24493305,20.26270678,26.37961435,24.3864222,15.6236948,5.335354858,0,0,0,2541.80523,2097.013603,4030.47633,5109.418917,4216.257792,2219.011824,0,0,0,58.02777778,38,59.66666667,76,46,12,0,0,0,56.21234167,53.57479543,34.13951216,18.74779353,6.139812,1.016064,0,0,0,148.0863886,191.9945275,129.7467465,92.38074234,61.84873452,31.08374443,0,0,0,7.379894667,7.584663429,7.36713728,7.461525333,7.178976,6.718464,0,0,0,1.082995537,1.447336198,1.055184574,0.81288074,0.650987283,0.444612905,0,0,0,169.453682,149.7866859,161.2190532,170.3139639,175.677408,184.917652,0,0,0,3.868518519,2.714285714,2.386666667,2.533333333,1.916666667,1,0,0,0,0.216197349,-0.110450613,0.014042513,-0.020379061,-0.011179857,0.019868345,0,0,0,476.9038497,-65.66428988,-40.39439656,-209.5424144,-108.5230378,185.6722138,0,0,0,665.1575892,-80.97945498,-184.885512,-221.2917839,-100.4615036,255.0394598,0,0,0,1.034995733,-0.103350151,0.003652711,-0.3913104,-0.17665984,0.150169813,0,0,0,2.896898448,-0.288018268,-1.187267327,-0.672028437,-0.218798891,0.917663699,0,0,0,16.06108614,-1.477481838,-7.083971123,-3.258856276,-0.85579307,4.645559237,0,0,0,23.27037037,-4.656049383,1.399382716,-6.707407407,-4.943703704,3.272592593,0,0,0,0.014413157,-0.00788933,5.62E-04,-6.79E-04,-4.66E-04,0.001655695,0,0,0,31.79358998,-4.69030642,-1.615775862,-6.984747147,-4.521793243,15.47268448,0,0,0,44.34383928,-5.784246784,-7.395420478,-7.376392796,-4.185895982,21.25328832,0,0,0,0.068999716,-0.007382154,1.46E-04,-0.01304368,-0.007360827,0.012514151,0,0,0,0.193126563,-0.020572733,-0.047490693,-0.022400948,-0.00911662,0.076471975,0,0,0,1.070739076,-0.105534417,-0.283358845,-0.108628543,-0.035658045,0.387129936,0,0,0,1.551358025,-0.332574956,0.055975309,-0.223580247,-0.205987654,0.272716049,0,0,0,-0.54737,0.038971374,-0.047130692,-0.032319596,0.114873891,0,0,0,-0.147523649,-0.050820806,-0.21969042,-0.142223424,0.486660503,0,0,0,-0.130440821,-0.166774474,-0.16634538,-0.094396337,0.479283902,0,0,0,-0.106988175,0.002117522,-0.18903962,-0.106679087,0.181365257,0,0,0,-0.106524618,-0.245904511,-0.115991024,-0.04720542,0.395968186,0,0,0,-0.098562217,-0.264638558,-0.101451927,-0.033302273,0.361553944,0,0,0,-0.214376663,0.03608149,-0.144119051,-0.132778927,0.175791819,0,0,0,1.43035073,0.70655142,1.266688712,1.079658356,0.283236866,0,0,0,1.394650417,1.074663198,1.209116159,0.930617893,0,0,0,0,1.611680217,1.296114319,1.027155369,0.800789914,0,0,0,0,1.046261318,0.834614455,1.516010114,1.000278198,0,0,0,0,1.696559902,1.411999962,0.9597445,0.714826138,0,0,0,0,1.704790797,1.432823488,0.954436546,0.694968552,0,0,0,0,1.162661149,0.801496101,1.467292695,1.027773357,0,0,0,0,13.95727422,7.103637112,10.86839614,14.10727422,2.821454845,7.105467187,0.25,0.088634171,0.017726834,-1.211618907,12.02410053,2.404820107,1.243456507,13.96008042,7.104673002,10.86965688,14.10963977,2.821927954,7.106500759,0.249265579,0.088565092,0.017713018,-1.212008747,12.0245071,2.404901419,1.243473413,16.47296295,8.036984237,12.20123322,16.23356627,3.246713253,8.037626883,-0.398994478,0.007800936,0.001560187,-2.426755769,15.48900389,3.097800777,1.370065173,13.96302567,7.105760236,10.87098041,14.11212255,2.82242451,7.107585566,0.2484948,0.088492526,0.017698505,-1.212418591,12.02493652,2.404987304,1.243491268,19.17311377,9.045409753,14.34158528,18.52373721,3.704747442,9.045637456,-1.082294264,0.141240331,0.028248066,-0.978646182,39.82646776,7.965293552,1.842265855,14.25158417,7.212359177,11.00239717,14.35546468,2.871092936,7.213964287,0.173134186,0.081047336,0.016209467,-1.25636095,12.08200119,2.416400237,1.24585842,15.0401872,7.813496377,12.45650458,15.39227053,3.078454106,7.814499466,0.586805556,0.120383667,0.024076733,-1.058535705,10.50811491,2.101622982,1.176073904,0,11.99646149,15.99794197,-0.418509322,0.077316056,4.261214377,6.232414071,4,14,14,14,4,0,0,0,0,0,10.93207,3.406798357,2.722975579,2.128007932,1.671412949,0.90425604,0.083923071,0.083923071,0.083923071,1.806936722,1.43187136,0.926196404,0.625057667,0.291744378,0.083923071,0.083923071,0.083923071,3.392535403,2.751266105,2.041205534,1.631836288,0.970331034,0.270913902,0.270913902,0.270913902,1.764034962,1.342889421,0.856704028,0.594678824,0.159498515,0.270913902,0.270913902,0.270913902,3.557555677,2.998025645,2.453877466,2.108977355,1.518705925,0.943918427,0.943918427,0.943918427,1.547889465,1.025235221,0.404631057,0.047733341,0.438601933,0.943918427,0.943918427,0.943918427,3.404000376,2.785438649,2.065986553,1.639664584,1.034664133,0.399277246,0.399277246,0.399277246,1.738102188,1.285876764,0.824940138,0.543957244,0.060252212,0.399277246,0.399277246,0.399277246,3.610874584,3.099703924,2.554771637,2.244894115,1.720995423,1.207644823,1.207644823,1.207644823,1.493369699,0.925753364,0.282706625,0.080863695,0.637336497,1.207644823,1.207644823,1.207644823,4.223225424,3.200918032,2.835524336,2.02022972,1.27661878,0.585365854,0.585365854,0.585365854,1.638663751,1.111960346,0.556513662,0.114915916,0.304561772,0.585365854,0.585365854,0.585365854,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.182574186,0,0,0,0.40824829,0,0,0.182574186,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.731670646,1.950904231,1.257269657,0.590822476,0,0,0,0,0.746334129,0.487726058,0.314317414,0.295411238,0,0,0,0,7.423938123,14.76984705,13.97647059,14.2,8.473011976,116.5531018,0.494929208,0.98465647,0.931764706,0.946666667,0.564867465,7.770206786,0.7772,21.9718,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.665277778,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0.665277778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.334722222,0,0,0,0,0,0,0,0,0,0,0,3.726851852,0,0.861111111,0,0,0,-0.115740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.665277778,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0.665277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.777777778,0,0.861111111,0,0,0,-0.115740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.665277778,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0.665277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.949074074,0,0.861111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.83333333,2.566666667,0.665277778,8.361111111,0.2625,-0.115740741,1.975865741,1.449074074,2.361111111,4.722222222,1.449074074,2.361111111,4.722222222,2.33333,0.46667,0,0.03333,0.48444,0.85333,0.41765,0.48444,0.76111,0.0668,0,-0.0668,0.09222,0.54687,0.16742,0,0.57143,0.21429,0,2.25,0.45,2.25,0.45,0,0,-2.25,-0.45,0,0,3.72133,0.74427,4.43249,0.71116,0.14223,1.97593,0.39519,2.27005,0.29412,0.05882,0.14395,0.02879,0.14395,0.02879,0,4.01,1,1,1,1,1,1,1,1.158938532,1.871602261,2.739572262,3.139572262,2.618653516,1.189230611,17.38407799,28.07403392,41.09358393,47.09358393,39.27980274,17.83845916,0.296639618,0.479051618,0.701215505,0.803598715,0.670265382,0.304393118,2.747952063,2.035288334,1.167318334,0.767318334,1.28823708,2.717659985,0.304394667,0.491575464,0.719547381,0.824607195,0.687788128,0.312350867,10.66110191,15.77621224,18.11659746,18.51972748,12.26870252,1.198536379,18.1875248,14.100286,12.80341694,12.41710322,9.291590746,3.046773087,5,2.25,4,5,0,4,1.79,0.7309,0.333333333,1.414213562,1.414213562,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,2.392,4,2,0,0,0,0,0,0,0,15,1.609437912,1.609437912,1.098612289,0,0,0,0,0,0,0,2.772588722,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,4,1,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,20.23,86.5306239,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,74.07316494,4.938210996,8.696801932,1.739360386,2.31305253,2.31305253,0,18,2,0.742,16,1.209285714,2.097101499,2.82652275,3.401164822,4.232203289,0,0,0,0,0,76.07321488,80.86255987,58.266298,22.49122298,4.300189402,0,0,0,0,0,256.146358,292.5833566,275.6434627,224.1790861,131.5527254,0,0,0,0,0,9.195663069,15.56027504,21.16892491,24.41564145,28.43390544,0,0,0,0,0,1.87702597,2.32167468,2.380552895,2.333127416,1.881692198,0,0,0,0,0,178.755922,334.8392997,479.3305014,591.7291572,782.6090951,0,0,0,0,0,3.337380952,5.298146944,7.354136318,6.566558523,4.232203289,0,0,0,0,0,0.417144579,0.540168048,0.577137006,0.550550239,0.433377617,0,0,0,0,0,301.7784451,158.3469278,12.59980758,160.2987343,-84.11075251,-18.70397793,141.4797107,242.4576803,31.30378551,0.653090995,0.342685021,0.027267756,0.346909005,-0.182027497,-0.040478039,139.4449327,73.16850175,5.822083545,74.07038701,-38.86565927,-8.642681366,0.400419514,0.748528913,8.424052934,24.34430363,408.516248,53.56093134,0.884086612,0.115913388,283.9246063,16.8500625,6.572556742,389.1388631,19.72660293,7.300762184,430.7077729,20.75350026,7.551981252,1.513523352,1.361667188,180.7975766,139.8094598,62.05453681,1.29317127,2.91352713,2.253009481,3.139592126,3.220194404,5.261228039,0.633823111,3.224442391,3.228329692,2.592676891,8.023664815,4.911344299,2.248925578,1.472387121,6.656961858,1.281184098,0.006683872,3.96E-24,4.53E-67,9.99E-132,4.25E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290510157,3.355246397,0.203860181,3.160629,0.316016118,0.027887081,0.166677106,0.321129024,0.009023484,4.71E-05,2.79E-26,3.19E-69,7.04E-134,2.99E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.81835312,3.119019301,0.575860519,3.322457465,0.68716383,0.179060677,0.397212188,1.193167919,0.094031664,4.91E-04,2.91E-25,3.32E-68,7.33E-133,3.12E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.266568655,3.354869608,2.61743121,8.137299549,4.62818452,2.045346434,1.410589552,6.120066074,1.141511966,0.00595521,3.53E-24,4.04E-67,8.90E-132,3.79E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.139201109,3.029258368,0.811829706,3.606855395,1.078676245,0.362599447,0.558326504,1.916870058,0.20424934,0.001065558,6.32E-25,7.22E-68,1.59E-132,6.77E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.074611356,3.308545161,3.386567541,10.19148845,6.878376059,3.27967939,1.837891453,8.814047031,1.8684866,0.0097478,5.78E-24,6.61E-67,1.46E-131,6.20E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.029533971,3.540884206,2.192905703,8.410368849,3.16451183,0.965650126,1.105155947,3.503329126,0.439001809,0.00229025,1.36E-24,1.55E-67,3.42E-132,1.46E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.613462592,0.813613763,0.534317788,0.659733038,0.205385714,0.530515717,0.398155388,0.403849047,3.961394142,3.95749699,9.055037298,0.489599557,1.332520152,1.762460539,0.749540115,0.142294487,0.664003227,0.28238763,0.250926653,0.331690678,0.029558274,2.654295141,1.678478721,4.520749842,0.49600484,0.612175604,2.216960505,0.650193071,0.313822327,0.696943508,0.204400502,0.382445156,0.262814174,0.14596762,3.180975904,2.341229169,5.974565007,0.545415262,0.79122695,2.539335226,0.851564181,0.513116462,0.65044183,0.218125184,0.500824982,0.43674094,0.372432181,3.904015869,3.902333229,8.915915687,0.475662745,1.309998103,2.408582853,0.634842033,0.392865987,0.700925196,0.184746302,0.450638735,0.251766677,0.229887696,3.436290873,2.724727756,6.76173808,0.551387794,0.932293108,2.644000594,0.847317398,0.557085551,0.653097095,0.209296674,0.543002507,0.429882211,0.435730318,4.048403544,4.185270512,9.481717108,0.479645643,1.408615036,2.553385489,0.849258958,0.514136647,0.651909164,0.21682574,0.506369371,0.434125986,0.373432631,3.916781094,3.917909706,8.949588664,0.477863746,1.313927987 +UMLKV0179,L,TERT-BUTANOL,CC(C)(C)O,C4H10O,Alcohol,Alcohols,75-65-0,2.251291799,PubChem,,3.0822,0,0.5733,0.32867289,22.0651,14.50993,0,0,15,5,10,0,4,0,1,0,0,0,0,0,0,0,843.185125,750.047136,1139.499786,399.391776,36.578304,0,0,0,0,2221.295828,2687.923385,3605.859075,3147.591619,1119.0148,0,0,0,0,110.69842,106.185288,184.365696,234.710784,241.864704,0,0,0,0,16.24493305,20.26270678,27.52167924,28.19734238,16.00606457,0,0,0,0,2541.80523,2097.013603,4035.897399,4882.231992,6657.035473,0,0,0,0,59.5625,39,69.5,96,36,0,0,0,0,56.21234167,53.57479543,45.57999144,13.3130592,1.016064,0,0,0,0,148.0863886,191.9945275,144.234363,104.9197206,31.08374443,0,0,0,0,7.379894667,7.584663429,7.37462784,7.8236928,6.718464,0,0,0,0,1.082995537,1.447336198,1.10086717,0.939911413,0.444612905,0,0,0,0,169.453682,149.7866859,161.435896,162.7410664,184.917652,0,0,0,0,3.970833333,2.785714286,2.78,3.2,1,0,0,0,0,0.209745415,-0.119119929,0.078127426,-0.130811931,0.066931726,0,0,0,0,476.9038497,-65.66428988,245.6175854,-975.4218619,557.0166414,0,0,0,0,665.1575892,-80.97945498,177.304901,-1194.02262,765.1183794,0,0,0,0,1.034995733,-0.103350151,0.190916711,-1.055573867,0.45050944,0,0,0,0,2.896898448,-0.288018268,-0.045202434,-3.86821962,2.752991098,0,0,0,0,16.06108614,-1.477481838,-1.662902405,-18.82683654,13.93667771,0,0,0,0,23.525,-6.415,10.9875,-27.225,10.89,0,0,0,0,0.013983028,-0.008508566,0.003125097,-0.004360398,0.001859215,0,0,0,0,31.79358998,-4.69030642,9.824703418,-32.51406206,15.47268448,0,0,0,0,44.34383928,-5.784246784,7.09219604,-39.800754,21.25328832,0,0,0,0,0.068999716,-0.007382154,0.007636668,-0.035185796,0.012514151,0,0,0,0,0.193126563,-0.020572733,-0.001808097,-0.128940654,0.076471975,0,0,0,0,1.070739076,-0.105534417,-0.066516096,-0.627561218,0.387129936,0,0,0,0,1.568333333,-0.458214286,0.4395,-0.9075,0.3025,0,0,0,0,-0.608492417,0.223492157,-0.311835018,0.132962235,0,0,0,0,-0.147523649,0.309015227,-1.022660923,0.486660503,0,0,0,0,-0.130440821,0.159936446,-0.897548671,0.479283902,0,0,0,0,-0.106988175,0.110676811,-0.509941168,0.181365257,0,0,0,0,-0.106524618,-0.009362241,-0.667648468,0.395968186,0,0,0,0,-0.098562217,-0.062121667,-0.586100976,0.361553944,0,0,0,0,-0.292166388,0.280233794,-0.578639745,0.192879915,0,0,0,0,1.482686699,0.543511025,2.013787532,0.284471795,0,0,0,0,1.394650417,0.738816234,2.233482944,0,0,0,0,0,1.611680217,0.991184127,1.921895793,0,0,0,0,0,1.046261318,0.733292453,2.400667674,0,0,0,0,0,1.696559902,1.191227176,1.715582732,0,0,0,0,0,1.704790797,1.243807723,1.667924526,0,0,0,0,0,1.238044633,0.578746015,2.439957492,0,0,0,0,0,12.25716135,6.253580675,8.253580675,12.40716135,2.48143227,6.257590793,0.25,2.78E-16,5.55E-17,-17.91025492,4000000,800000,7.60090246,12.2599401,6.254602837,8.254602837,12.40949944,2.481899889,6.25860784,0.249265579,2.78E-17,5.55E-18,-19.06154747,4000000,800000,7.60090246,14.75944282,7.180224169,10.11952748,14.52004613,2.904009226,7.18163264,-0.398994478,0.102958187,0.020591637,-1.136716164,19.06535052,3.813070105,1.473936289,12.26285657,6.255675686,8.255675686,12.41195345,2.48239069,6.259675329,0.2484948,5.55E-17,1.11E-17,-18.71497388,4000000,800000,7.60090246,17.45758148,8.187643606,12.81294629,16.80820492,3.361640984,8.188145484,-1.082294264,0.192294932,0.038458986,-0.824362492,15.05472895,3.01094579,1.355846079,12.54880269,6.360968438,8.360968438,12.6526832,2.53053664,6.364482684,0.173134186,2.78E-17,5.55E-18,-19.06154747,4000000,800000,7.60090246,14.43274887,7.48095777,10.01533277,14.75024887,2.950049774,7.482133551,0.529166667,1.39E-16,2.78E-17,-18.25668087,4000000,800000,7.60090246,0,11.99646149,15.99794197,-0.415690965,0.082652418,4.576436188,6.860312569,4,14,14,14,4,0,0,0,0,0,10.93207,3.458270996,2.333552793,2.333552793,2.007291587,0.42280324,0.083923071,0.083923071,0.083923071,1.814053003,1.249629723,1.249629723,0.574437706,0.083923071,0.083923071,0.083923071,0.083923071,3.434533988,2.405454588,2.405454588,1.73213346,0.520996874,0.270913902,0.270913902,0.270913902,1.77899329,1.134540686,1.134540686,0.652044123,0.270913902,0.270913902,0.270913902,0.270913902,3.590479277,2.704236987,2.704236987,2.293161134,0.962656517,0.943918427,0.943918427,0.943918427,1.572492221,0.76031856,0.76031856,0.055305071,0.943918427,0.943918427,0.943918427,0.943918427,3.441393985,2.457539916,2.457539916,1.672763781,0.599620884,0.399277246,0.399277246,0.399277246,1.757873254,1.058262671,1.058262671,0.677111385,0.399277246,0.399277246,0.399277246,0.399277246,3.636631564,2.838982085,2.838982085,2.352183551,1.207644823,1.207644823,1.207644823,1.207644823,1.524783305,0.631337262,0.631337262,0.022173743,1.138470166,1.207644823,1.207644823,1.207644823,4.092326463,3.062952642,2.581467583,2.581467583,0.599666751,0.551724138,0.551724138,0.551724138,1.661087496,0.926295169,0.926295169,0.113038192,0.551724138,0.551724138,0.551724138,0.551724138,0,0,0,0,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,2,0.5,0,0,1.170820393,0.223606798,0,0,0,0,0,0,0,0,4.5,2,3,0,0,0,0,0,0.9,0.5,0.5,0,0,0,0,0,3.947213595,1.723606798,2.170820393,0,0,0,0,0,0.789442719,0.430901699,0.361803399,0,0,0,0,0,7.423938123,14.76984705,13.97647059,14.2,8.473011976,116.5531018,0.494929208,0.98465647,0.931764706,0.946666667,0.564867465,7.770206786,0.7772,21.9718,6.605551275,8.605551275,13.21110255,2.64222051,6.608188235,1.11E-16,2.22E-17,-18.36840028,4000000,800000,7.60090246,12,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.616666667,0,8.520833333,0,0,0,0,0,0,0,0,0,0,0.616666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.933333333,0,0,0,0,0,0,0,0,0,0,0,5.229166667,0,0,0,0,0,0,0,0,0,0,0,-0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.520833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.616666667,0,8.520833333,0,0,0,0,0,0,0,0,0,0,0.616666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,1.743055556,0,0,0,0,0,0,0,0,0,0,0,-0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.520833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.616666667,0,8.520833333,0,0,0,0,0,0,0,0,0,0,0.616666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,1.743055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.520833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.25,2.65,0.616666667,8.520833333,0.25,-0.5,2.1365,1.75,2.520833333,5.041666667,1.75,2.520833333,5.041666667,2.33333,0.46667,0,0.03333,0.48444,0.85333,0.41765,0.48444,0.76111,0.0668,0,-0.0668,0.09222,0.54687,0.16742,0,0.78571,0,0.21429,2.25,0.45,2.25,0.45,0,0,-2.25,-0.45,0,0,4.22847,0.84569,5,0.77153,0.15431,1.72847,0.34569,2,0.27153,0.05431,0.414,0.0828,0.414,0.0828,0,4.01,1,1,1,1,1,1,1,1.158938532,1.687943095,1.687943095,1.427483722,0.70263873,0,17.38407799,25.31914642,25.31914642,21.41225582,10.53958094,0,0.296639618,0.43204258,0.43204258,0.365375914,0.179846021,0,2.747952063,2.218947501,2.218947501,2.479406874,3.204251866,3.906890596,0.304394667,0.443337469,0.443337469,0.374927936,0.184547736,0,10.66110191,13.57230224,13.57230224,10.44678976,0.7081369,0,18.1875248,16.24544595,16.24544595,14.68268971,4.240073582,0,5,1,0,5,0,3,1.79,0.7309,1.5,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.436,0.422,0.37,0.184,2.208,6,0,0,0,0,0,0,0,0,15,1.609437912,1.945910149,0,0,0,0,0,0,0,0,2.772588722,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,1,2,1,3,0,0,0,0,0,0,0,0,0,0.75,0,0,0,0,0,0,0,0,0,0.75,6.605551275,8.605551275,13.21110255,2.64222051,6.608188235,1.11E-16,2.22E-17,-18.36840028,4000000,800000,7.60090246,20.23,86.5306239,3.321928095,3.044522438,3.496507561,4.394449155,4.859812404,5.771441123,6.240275845,7.155396302,7.625107148,8.541105011,60.12861699,2.197224577,0,3.496507561,0,4.859812404,0,6.240275845,0,7.625107148,7.913521017,74.07316494,4.938210996,8.5,1.7,2.25,2.25,0,16,0,0.801,20,1.209285714,2.095021152,2.906638985,3.303286332,0,0,0,0,0,0,76.07321488,109.1287965,38.64823641,3.356350324,0,0,0,0,0,0,256.146358,331.3540611,305.3546485,102.6785081,0,0,0,0,0,0,9.195663069,15.61111858,22.71253592,22.1930103,0,0,0,0,0,0,1.87702597,2.457226319,2.738897029,1.468683732,0,0,0,0,0,0,178.755922,333.9341394,472.646529,610.8359525,0,0,0,0,0,0,3.401678571,6.357069851,9.253462051,3.303286332,0,0,0,0,0,0,0.417144579,0.577271252,0.667319736,0.33825652,0,0,0,0,0,0,320.6031628,160.2797338,16.50267359,106.4546997,-53.22009544,-12.63553505,214.1484631,213.4998292,29.13820864,0.750725349,0.375311516,0.038642711,0.249274651,-0.124620339,-0.029587408,136.9161014,68.4487205,7.047596508,45.46231648,-22.7280602,-5.39610459,0.421008211,0.780284733,17.89135637,19.28836902,359.8417532,67.21610924,0.842606553,0.157393447,283.9246063,16.8500625,6.572556742,389.1388631,19.72660293,7.300762184,454.6662314,21.32290392,7.689490533,1.174792123,1.174792123,109.5908581,106.5539726,105.1507768,1.028500913,1.042225853,1.013344606,3.014038931,2.151830091,4.101713045,0.906150984,3.224442391,3.228446154,2.187503163,7.030466169,7.514472883,2.276299341,2.497794444,7.73E-07,5.41E-35,7.30E-85,1.90E-156,9.53E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290510157,3.355247218,0.125311139,4.402254083,0.357190415,0.016400028,0.017592171,5.45E-09,3.81E-37,5.14E-87,1.34E-158,6.71E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.81835312,3.119027848,0.442912505,4.41602207,1.129447679,0.168012073,0.18332398,5.68E-08,3.97E-36,5.36E-86,1.39E-157,7.00E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.266568655,3.354973374,2.024703743,7.264462038,7.305800494,2.028396088,2.22548988,6.89E-07,4.82E-35,6.50E-85,1.69E-156,8.49E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.139201109,3.029276935,0.691617753,4.569221517,1.744108739,0.364039545,0.398204182,1.23E-07,8.63E-36,1.16E-85,3.03E-157,1.52E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.074611356,3.30871501,2.831796338,7.978389435,10.43733286,3.318570025,3.64279845,1.13E-06,7.89E-35,1.06E-84,2.77E-156,1.39E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.832813375,3.039244864,0.774808975,9.233291292,5.008010028,0.694364973,0.760327441,2.35E-07,1.65E-35,2.22E-85,5.78E-157,2.90E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.403332726,1.329464702,0.809949017,0.396114356,0.375263859,0.532630821,0.499806382,0.434963838,3.542746446,4.079107916,9.132961118,0.157067322,1.467401042,0.773353719,0.741257412,0.730283432,0.344494451,0.330196983,0.262953223,0.185933687,0.150810295,2.244894562,1.67934959,4.342882179,0.016741676,0.599697205,1.069035356,1.031450202,0.638721949,0.390271768,0.37655059,0.313906816,0.300846324,0.260169641,2.739207508,2.444282964,5.887781531,0.150233536,0.87492278,1.358903165,1.286204148,0.848798054,0.38893531,0.368127929,0.49738741,0.467808369,0.482867012,3.493905366,3.992988826,8.970446253,0.135594858,1.448062791,1.20741088,1.159003143,0.621260261,0.404130693,0.387928212,0.400231862,0.379854612,0.24643727,2.987674284,2.869551999,6.726613547,0.188088358,1.026523744,1.434657734,1.356059995,0.844795172,0.3946232,0.373003764,0.555345353,0.520003161,0.476157561,3.635512901,4.303066823,9.582113491,0.151440445,1.551506075,1.36512678,1.292588588,0.843584308,0.389891442,0.369173938,0.502335313,0.472464095,0.475998337,3.501299675,4.006554273,8.996398357,0.13859807,1.450797746 +UMLKV0180,L,1-PENTANOL,CCCCCO,C5H12O,Alcohol,Alcohols,71-41-0,2.471411873,PubChem,,3.0666,0,-1.2614,1.59112996,21.9103,17.603516,0,0,18,6,12,0,5,0,1,0,0,0,0,0,0,0,989.481374,918.525433,882.250368,702.766727,506.009998,309.253269,68.616576,3.048192,0,2706.980219,3340.91352,4020.152774,3541.778085,2534.97974,1528.181395,609.4474637,93.25123329,0,131.675864,127.961068,226.744392,278.07338,215.18848,152.30358,89.278848,20.155392,0,19.92305886,25.2786954,33.93166389,32.46855441,23.44702555,14.42549669,6.274751507,1.333838715,0,3038.434891,2530.053054,4954.724373,6619.369302,5140.414147,3661.458992,2188.016594,554.7529561,0,61,42.75,63.5,68.25,56,46,28,3,0,54.97118744,54.03090782,28.45968929,18.01965967,16.86699993,14.72634614,5.718048,1.016064,0,150.3877899,196.5243247,129.6823476,90.81482268,84.49932466,72.77054261,50.78728864,31.08374443,0,7.315325778,7.527121647,7.314335226,7.130086667,7.172949333,7.252551429,7.439904,6.718464,0,1.106836603,1.486982082,1.094569803,0.832527036,0.781567518,0.686928414,0.522895959,0.444612905,0,168.8019384,148.8266503,159.8298185,169.727418,171.3471382,174.3551901,182.3347162,184.917652,0,3.388888889,2.514705882,2.048387097,1.75,1.866666667,2.19047619,2.333333333,1,0,0.22573249,-0.100514002,-0.032020189,0.014958609,0.002432924,0.010038884,-0.022237835,0.014475364,0,557.7912351,-66.11605249,-247.6862595,9.014800148,8.57301837,8.131236593,-36.19050919,45.37814848,0,815.6252945,-79.2452518,-391.8080059,-21.16471581,-22.12162343,-23.07853106,64.02897524,65.57650547,0,1.059967111,-0.095141383,-0.160292247,-0.007095852,-0.02999763,-0.052899407,-0.215633185,0.031076148,0,3.576219349,-0.265723223,-1.599743732,-0.228388224,-0.249316669,-0.270245113,0.579610118,0.245697168,0,19.7674611,-1.32649563,-8.475072046,-1.482417455,-1.636833706,-1.791249958,3.567090448,1.261247796,0,23.44444444,-2.669753086,-3.265432099,-0.601851852,-1.296296296,0.259259259,-4.740740741,0.592592593,0,0.012540694,-0.005912588,-0.001032909,3.84E-04,8.11E-05,4.78E-04,-0.001853153,0.004825121,0,30.98840195,-3.889179558,-7.989879338,0.231148722,0.285767279,0.387201743,-3.015875765,15.12604949,0,45.31251636,-4.6614854,-12.63896793,-0.542685021,-0.737387448,-1.09897767,5.335747937,21.85883516,0,0.058887062,-0.005596552,-0.005170718,-1.82E-04,-1.00E-03,-0.002519019,-0.017969432,0.010358716,0,0.198678853,-0.015630778,-0.051604637,-0.005856108,-0.008310556,-0.012868815,0.048300843,0.081899056,0,1.098192283,-0.078029155,-0.273389421,-0.038010704,-0.054561124,-0.085297617,0.297257537,0.420415932,0,1.302469136,-0.157044299,-0.105336519,-0.015432099,-0.043209877,0.012345679,-0.395061728,0.197530864,0,-0.471472185,-0.082364607,0.030584757,0.006466744,0.038119269,-0.147771161,0.384757131,0,-0.12550436,-0.257834507,0.007459201,0.009221749,0.012495054,-0.097322726,0.488119701,0,-0.102874123,-0.278928847,-0.011976493,-0.016273372,-0.024253292,0.117754395,0.482401705,0,-0.095038736,-0.087807364,-0.003089727,-0.016980317,-0.042777128,-0.305150768,0.175908183,0,-0.078673586,-0.25973895,-0.029475247,-0.04182909,-0.064771941,0.243110137,0.412218285,0,-0.071052361,-0.248944948,-0.034612066,-0.049682669,-0.077670931,0.270678953,0.382825429,0,-0.120574296,-0.080874484,-0.011848341,-0.033175355,0.009478673,-0.303317536,0.151658768,0,1.377328367,0.820073639,0.652465777,0.844727072,1.143010033,2.119468547,1.312774743,0,1.409452341,1.299983183,0.844100919,0.851346434,0.86480239,1.009887708,0,0,1.590373361,1.429970025,0.896011602,0.851994473,0.770248377,0.412923289,0,0,1.043987109,0.907205263,0.701606094,0.886730406,1.230532699,2.276926622,0,0,1.655711089,1.449519548,0.906840562,0.859948594,0.772863512,0.210202669,0,0,1.661705788,1.442082416,0.905166005,0.863279785,0.785491089,0.195938841,0,0,1.077014218,0.894702645,0.701877506,0.90035545,1.19126608,2.296208531,0,0,23.14377758,11.69688879,18.94636409,23.31044425,3.885074041,11.69691111,0.25,0.036155941,0.00602599,-1.991948399,18.62484989,3.104141649,1.754698023,23.14692213,11.69809386,18.94814732,23.31309919,3.885516531,11.69811614,0.249265579,0.036052813,0.006008802,-1.993662227,18.6252979,3.104216316,1.754712455,25.94964672,12.77532612,20.663539,25.6836504,4.2806084,12.775333,-0.398994478,0.060998398,0.0101664,-1.678144605,20.77196882,3.461994804,1.820162655,23.15022245,11.69935862,18.95001919,23.31588565,3.885980941,11.69938088,0.2484948,0.035944559,0.00599076,-1.995466525,18.62577149,3.104295248,1.754727711,28.94677118,13.93223846,22.80410907,28.22524167,4.704206945,13.93224055,-1.082294264,0.164864655,0.027477443,-1.081578247,42.33058336,7.055097227,2.247305901,23.47332737,11.82323078,19.13484058,23.58875016,3.931458359,11.82325009,0.173134186,0.025259446,0.004209908,-2.207133067,18.68943821,3.114906369,1.756775138,23.03691779,11.82620881,19.48746369,23.4301954,3.905032566,11.82623158,0.666666667,0.066589932,0.011098322,-1.625521131,17.55110964,2.925184941,1.719070305,0,11.99640057,15.99794223,-0.421714982,0.069668873,3.866715036,6.502134896,5,17,17,17,5,0,0,0,0,0,13.118484,3.422805853,3.00132027,2.403300765,1.789381624,1.333984586,1.108496555,0.083923071,0.083923071,1.855568121,1.535792284,1.120823211,0.766825344,0.558139436,0.386573861,0.083923071,0.083923071,3.436435292,2.985842344,2.37120776,1.774868815,1.361874779,1.152806305,0.270913902,0.270913902,1.799599016,1.481127305,1.054040968,0.668848612,0.427420601,0.311716277,0.270913902,0.270913902,3.584766065,3.208777855,2.690630392,2.191631401,1.855213729,1.704496246,0.943918427,0.943918427,1.597519284,1.199038329,0.670739408,0.190012064,0.114132578,0.301834162,0.943918427,0.943918427,3.455484601,3.00353895,2.393150711,1.812920693,1.424138864,1.18872514,0.399277246,0.399277246,1.764830856,1.447672037,1.011490763,0.605199853,0.343897447,0.228965009,0.399277246,0.399277246,3.64552063,3.280994681,2.787973342,2.328142098,2.028768126,1.892142226,1.207644823,1.207644823,1.538540252,1.124428199,0.568090895,0.047324112,0.294981962,0.475115402,1.207644823,1.207644823,4.406885283,3.437484355,2.919207548,2.267071505,1.764117782,1.503262844,0.625,0.625,1.688076818,1.247903895,0.745989022,0.344774925,0.115587506,0.34430285,0.625,0.625,0,0,0,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.27564072,2.523334547,1.430713579,0.761667274,0.361803399,0.111803399,0,0,0.712606787,0.504666909,0.357678395,0.253889091,0.180901699,0.111803399,0,0,8.965765927,17.6576839,16.70196078,16.96,10.27156647,139.5813569,0.498098107,0.980982439,0.92788671,0.942222222,0.570642582,7.754519827,1.1689,26.6108,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,1,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.708611111,0,8.197361111,0,0,0,0,0,0,0,0,0,0,0.708611111,0,0,0,0,0,0,0,0,0,0,0,0,0,1.491388889,0,0,0,0,0,0,0,0,0,0,0,2.120694444,0,3.681944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.197361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.708611111,0,8.197361111,0,0,0,0,0,0,0,0,0,0,0.708611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0.227777778,0,0,0,0,0,0,0,0,0,0,0,2.120694444,0,0.355,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.197361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.708611111,0,8.197361111,0,0,0,0,0,0,0,0,0,0,0.708611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.120694444,0,1.195,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.197361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,2.333333333,0.708611111,8.197361111,0.227777778,0.355,2.690837222,1.145,2.197361111,4.636111111,1.145,2.197361111,4.636111111,2.83333,0.47222,0,0.02778,0.47593,0.82778,0.42,0.47593,0.75238,0.05593,0,-0.05593,0.0754,0.57047,0.14382,0,0.29412,0,0,2.75,0.45833,2.75,0.45833,0,0,-2.75,-0.45833,0,0,4.59002,0.765,5.31294,0.72292,0.12049,2.57596,0.42933,2.91421,0.33826,0.05638,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5.01,1,1,1,1,1,1,1,1.134969975,1.791667484,2.932999307,3.197159723,2.744842532,2.728286642,20.42945954,32.25001472,52.79398752,57.54887502,49.40716557,49.10915955,0.272179949,0.429664199,0.703369798,0.766718759,0.658247458,0.654277149,3.034955027,2.378257517,1.236925695,0.972765278,1.42508247,1.44163836,0.27767102,0.438332421,0.71755987,0.78218686,0.671527213,0.667476806,10.25843817,15.10631013,19.16027043,16.52280039,17.74928855,13.86100642,21.93297423,17.39589441,14.20167153,16.72999237,15.59952828,10.93483321,6,5,5.333333333,6,0,5,1.9,0.8718,0,1.807204007,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.385,0.375,0.449,0.205,3.119,4,3,2,1,0,0,0,0,0,21,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,0,3.091042453,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.6,5,1,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,20.23,103.8266085,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,88.088815,4.893823056,10.83915043,1.806525072,2.388325215,2.388325215,0,35,3,1.42,18,1.216411765,2.11006247,2.820168572,3.492519605,4.812573643,5.653722255,6.460273514,0,0,0,77.15821427,67.02812621,62.11689876,77.54028712,84.38132216,36.04041237,6.564051348,0,0,0,263.9099389,291.9870869,279.8113836,346.69642,376.6552094,301.1484251,200.8094909,0,0,0,9.180431628,15.48884656,20.18605168,25.42265004,35.19742156,42.68683402,43.40311503,0,0,0,1.941447524,2.418394539,2.470577462,3.034419922,3.431064793,2.997992523,2.872320973,0,0,0,178.6200885,334.0943075,475.795441,587.2287439,833.9160298,1029.898466,1194.61861,0,0,0,3.126661765,4.434832255,5.132251777,7.279837641,11.38587879,14.33378582,6.460273514,0,0,0,0.425350094,0.541035431,0.56433708,0.712387705,0.854858576,0.815685247,0.661532008,0,0,0,327.1601902,195.6817988,12.87848047,185.0298507,-110.6704762,-23.84531022,142.1303395,306.352275,36.72379069,0.63874766,0.382049207,0.025143949,0.36125234,-0.216073073,-0.046555591,167.5681912,100.2262686,6.596229437,94.77044683,-56.68431572,-12.21333042,0.350636576,0.661579961,6.135628212,25.22816081,456.558301,55.63173995,0.891384573,0.108615427,346.0061755,18.60124124,7.020390718,470.5945044,21.69319028,7.778256915,503.0112466,22.42791222,7.9529069,2.410647154,2.410647154,437.2252739,419.6281291,34.28492569,1.041935094,12.75269715,12.23943528,3.628872352,3.730373775,6.773216466,0.815693781,3.782243497,4.176870301,3.597186983,14.49194314,5.371441006,0.093777308,3.627523462,4.927093079,3.575916043,0.318614534,3.402430181,0.484708863,0.011680389,2.30E-23,8.71E-66,6.37E-130,8.98E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0.337322539,4.303721764,0.323089827,3.311050318,0.040041671,0.023741754,0.463569432,0.188399882,1.29956915,0.020779403,0.289345176,0.003539814,0.001305622,2.57E-24,9.73E-67,7.12E-131,1.00E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,0.969469194,4.067499105,0.788144607,4.051487301,0.399911615,0.018991856,0.895708241,0.756484093,1.470667732,0.071005467,0.550145717,0.035715565,0.002261775,4.45E-24,1.69E-66,1.23E-130,1.74E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,3.793087398,4.303403082,3.884020074,13.50943419,4.787379313,0.091364038,4.048375527,4.495778573,4.036686794,0.296642518,3.32446535,0.432287161,0.014670636,2.88E-23,1.09E-65,8.00E-130,1.13E-215,3.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,1.361918399,3.977743856,1.025967849,4.976489863,0.863222765,0.021829965,1.080848837,1.264982271,1.511551833,0.108622072,0.794944164,0.077311893,0.002239667,4.40E-24,1.67E-66,1.22E-130,1.72E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,4.748236975,4.257115755,4.831173824,19.61837196,7.826533211,0.131059827,4.888017118,6.68440634,4.700274152,0.404212104,4.727266734,0.706903616,0.017059309,3.35E-23,1.27E-65,9.30E-130,1.31E-215,3.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,3.635247932,4.958016014,4.916674399,8.93023924,2.104035305,0.09109681,5.73956019,2.315112201,6.234283463,0.171548788,3.196703036,0.191596765,0.027373951,5.38E-23,2.04E-65,1.49E-129,2.10E-215,4.9E-323,0,0,0,0,0,0,0,0,0,0,0,0,4.53580235,0.786013003,0.459950342,0.784501239,0.135946879,0.56364119,0.621592293,0.555541736,5.781765694,6.012970415,13.43455089,0.676751858,1.740775219,4.874340515,0.294580158,0.094672025,0.926048195,0.055965607,0.651288886,0.087354704,0.023536297,5.263592699,1.925236187,7.324766931,0.889072292,0.762179887,4.31642789,0.511101946,0.250165459,0.850076194,0.100656285,0.511587842,0.262818363,0.16434235,5.077695296,3.413815916,9.043409912,0.775114291,0.938748555,4.670798288,0.760313463,0.442572248,0.795207623,0.129444053,0.597452764,0.581216295,0.514355223,5.873683999,5.954930156,13.40030806,0.692811434,1.693024282,4.179067822,0.60871123,0.321826151,0.817884681,0.119130775,0.479722848,0.372623817,0.271980308,5.109605202,4.084678016,10.01295923,0.726827022,1.124326974,4.607485667,0.815170311,0.482979557,0.780184561,0.138032614,0.581372816,0.668128699,0.612565168,5.905635535,6.374917507,14.09456897,0.670276841,1.862066683,4.684418443,0.7614691,0.44378337,0.795361661,0.129288904,0.600896132,0.582889313,0.517174196,5.889670914,5.983834224,13.45649812,0.693042492,1.700959641 +UMLKV0181,L,2-PENTANOL,CCCC(C)O,C5H12O,Alcohol,Alcohols,6032-29-7,2.457807555,PubChem,,2.7296,0,-0.9841,0.96845281,23.5831,17.603516,0,0,18,6,12,0,5,0,1,0,0,0,0,0,0,0,989.481374,918.525433,1047.196341,759.190535,509.05819,144.307296,12.192768,0,0,2706.980219,3340.91352,4157.215774,3778.220615,2628.230973,1391.118395,373.0049332,0,0,131.675864,127.961068,226.90794,286.73066,235.343872,152.140032,80.621568,0,0,19.92305886,25.2786954,34.06730449,33.40795106,24.78086426,14.28985608,5.335354858,0,0,3038.434891,2530.053054,4954.678529,6588.374072,5695.167103,3661.504836,2219.011824,0,0,62.27777778,43.25,69,85.33333333,63,43,12,0,0,54.97118744,54.03090782,33.78052713,19.46642397,15.42600576,6.871776,1.016064,0,0,150.3877899,196.5243247,134.1037346,96.87745167,79.64336282,66.24373311,31.08374443,0,0,7.315325778,7.527121647,7.319610968,7.352068205,7.131632485,7.244763429,6.718464,0,0,1.106836603,1.486982082,1.098945306,0.85661413,0.750935281,0.680469337,0.444612905,0,0,168.8019384,148.8266503,159.8283396,168.9326685,172.5808213,174.3573732,184.917652,0,0,3.459876543,2.544117647,2.225806452,2.188034188,1.909090909,2.047619048,1,0,0,0.220654315,-0.110170166,0.010128236,-0.03047214,0.029655762,-0.029263732,0.019794884,0,0,557.7912351,-66.11605249,-82.74028647,-208.688303,53.95116685,-156.8147364,181.5125939,0,0,815.6252945,-79.2452518,-254.7450064,-219.4417625,43.45488204,-160.1415306,262.3060219,0,0,1.059967111,-0.095141383,0.003255753,-0.34703363,0.001078519,-0.216447407,0.124304593,0,0,3.576219349,-0.265723223,-1.464103123,-0.631566778,-0.003619501,-0.405885722,0.982788672,0,0,19.7674611,-1.32649563,-8.520916016,-2.96031819,-0.375585911,-1.745405988,5.044991183,0,0,23.75308642,-4.242112483,1.73079561,-8.215020576,1.961934156,-5.684156379,2.572016461,0,0,0.012258573,-0.006480598,3.27E-04,-7.81E-04,8.99E-04,-0.001393511,0.001649574,0,0,30.98840195,-3.889179558,-2.669041499,-5.350982127,1.634883844,-7.4673684,15.12604949,0,0,45.31251636,-4.6614854,-8.21758085,-5.626711858,1.316814607,-7.62578717,21.85883516,0,0,0.058887062,-0.005596552,1.05E-04,-0.008898298,3.27E-05,-0.010307019,0.010358716,0,0,0.198678853,-0.015630778,-0.047229133,-0.01619402,-1.10E-04,-0.019327892,0.081899056,0,0,1.098192283,-0.078029155,-0.274868259,-0.075905595,-0.011381391,-0.083114571,0.420415932,0,0,1.319615912,-0.249536028,0.055832116,-0.210641553,0.05945255,-0.270674113,0.214334705,0,0,-0.528658434,0.026652146,-0.063737999,0.073308651,-0.11367645,0.134564901,0,0,-0.12550436,-0.086130337,-0.17267693,0.052757927,-0.240973007,0.488119701,0,0,-0.102874123,-0.181353443,-0.124175665,0.029060726,-0.168293173,0.482401705,0,0,-0.095038736,0.001783487,-0.151107865,5.55E-04,-0.175030288,0.175908183,0,0,-0.078673586,-0.237715954,-0.081508524,-5.52E-04,-0.097282077,0.412218285,0,0,-0.071052361,-0.250291559,-0.069118674,-0.010363751,-0.075683077,0.382825429,0,0,-0.189097469,0.042309369,-0.159623381,0.04505292,-0.20511583,0.162422037,0,0,1.431002721,0.714570162,1.198708637,0.869018289,1.287923142,0.337304366,0,0,1.409452341,1.137818133,1.154835598,0.773951304,1.104188892,0,0,0,1.590373361,1.337815477,1.023064922,0.77454043,0.906286043,0,0,0,1.043987109,0.822591682,1.402198901,0.806118551,1.355438462,0,0,0,1.655711089,1.428720052,0.971518306,0.781771449,0.80356753,0,0,0,1.661705788,1.443354215,0.96545488,0.784799804,0.783613671,0,0,0,1.149558212,0.778544363,1.40539541,0.762686638,1.397312147,0,0,0,21.0931329,10.67156645,16.73713056,21.25979956,3.543299927,10.67162594,0.25,0.102950955,0.017158493,-1.364101539,23.20197762,3.86699627,1.88654251,21.09611656,10.67269107,16.7385286,21.26229361,3.543715602,10.67275048,0.249265579,0.102877784,0.017146297,-1.364528135,23.19538835,3.865898058,1.886372089,23.78300691,11.69200622,18.10347587,23.5170106,3.919501766,11.69202563,-0.398994478,0.023781959,0.00396366,-2.243296809,19.69194089,3.281990148,1.788125676,21.09924811,10.67387145,16.73999615,21.26491131,3.544151884,10.67393078,0.2484948,0.102800957,0.017133493,-1.364976368,23.18848087,3.864746811,1.886193385,26.69700248,12.80735411,19.94147926,25.97547297,4.329245494,12.8073603,-1.082294264,0.09280724,0.015467873,-1.426338372,21.50729029,3.584548382,1.841035177,21.40627616,10.78970517,16.88502839,21.52169895,3.586949825,10.78975701,0.173134186,0.095123446,0.015853908,-1.41154788,22.55100076,3.758500126,1.869467667,23.03258599,11.80795966,19.15018972,23.42147488,3.903579147,11.80798076,0.583333333,0.120670678,0.02011178,-1.26881407,19.21464693,3.202441154,1.773403709,0,11.99640057,15.99794223,-0.418488723,0.077562269,4.418856186,6.619769203,5,17,17,17,5,0,0,0,0,0,13.118484,3.451581157,2.964392103,2.244612376,2.047170761,1.402796895,0.896721912,0.083923071,0.083923071,1.846911721,1.54731245,1.142493283,0.761946115,0.581728649,0.291315589,0.083923071,0.083923071,3.447177728,2.973650549,2.307442282,1.88324323,1.455961778,0.967025283,0.270913902,0.270913902,1.800233664,1.477806211,1.031339843,0.744058134,0.482374437,0.158406045,0.270913902,0.270913902,3.598945262,3.187569899,2.606235828,2.357725681,1.920050375,1.515824543,0.943918427,0.943918427,1.597611338,1.19771994,0.656174569,0.232926156,0.052449434,0.439804323,0.943918427,0.943918427,3.460749678,2.997394463,2.357445623,1.876090148,1.505808893,1.03263438,0.399277246,0.399277246,1.771976535,1.433484879,0.958849347,0.735180646,0.396024085,0.0587047,0.399277246,0.399277246,3.652564249,3.269390762,2.737527918,2.44188618,2.094471537,1.719106223,1.207644823,1.207644823,1.543823786,1.117110629,0.529395576,0.126738149,0.218084872,0.639291409,1.207644823,1.207644823,4.292345084,3.335754446,2.940736508,2.469335657,1.72747684,1.285185569,0.6,0.6,1.69685714,1.256790354,0.799608281,0.343283694,0.078193555,0.32389892,0.6,0.6,0,0,0,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.182574186,0,0,0,0.288675135,0.288675135,0,0.129099445,0.129099445,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.438777427,2.450904231,1.637696501,0.706449714,0.417774579,0,0,0,0.739796238,0.490180846,0.3275393,0.235483238,0.20888729,0,0,0,8.965765927,17.6576839,16.70196078,16.96,10.27156647,139.5813569,0.498098107,0.980982439,0.92788671,0.942222222,0.570642582,7.754519827,1.1673,26.5888,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.625277778,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0.625277778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.574722222,0,0,0,0,0,0,0,0,0,0,0,3.87125,0,2.011574074,0,0,0,-0.101851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.625277778,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0.625277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,1.809027778,0,0.930555556,0,0,0,-0.101851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.625277778,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0.625277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.062222222,0,1.081018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,2.388888889,0.625277778,8.552361111,0.24,-0.101851852,2.598671667,1.435185185,2.552361111,5.229166667,1.435185185,2.552361111,5.229166667,2.83333,0.47222,0,0.02778,0.47593,0.82778,0.42,0.47593,0.75238,0.05593,0,-0.05593,0.0754,0.57047,0.14382,0,0.47059,0.17647,0,2.75,0.45833,2.75,0.45833,0,0,-2.75,-0.45833,0,0,4.92873,0.82145,5.69868,0.76996,0.12833,2.47593,0.41266,2.77005,0.29412,0.04902,0.14395,0.02399,0.14395,0.02399,0,5.01,1,1,1,1,1,1,1,1.134969975,1.833605679,2.86382639,3.308270835,3.007435418,2.372180556,20.42945954,33.00490222,51.54887502,59.54887502,54.13383752,42.69925001,0.272179949,0.439721501,0.68678127,0.793364589,0.721220506,0.56887847,3.034955027,2.336319323,1.306098611,0.861654167,1.162489584,1.797744445,0.27767102,0.448592623,0.700636679,0.809370253,0.735770705,0.580355259,10.25843817,15.60956847,19.09055624,18.3171257,16.68881428,10.95563906,21.93297423,16.70416525,14.36524723,14.70693473,12.27502153,8.385965281,6,3.2,5.333333333,6,0,5,1.9,0.8718,0.25,2.149139864,1.154700538,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,2.891,5,3,2,0,0,0,0,0,0,21,1.791759469,1.791759469,1.386294361,1.098612289,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,20.23,103.8266085,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,88.088815,4.893823056,10.67917749,1.779862916,2.347570326,2.347570326,0,32,3,1.311,20,1.216411765,2.109456663,2.838347754,3.462022645,4.576646605,5.32052519,0,0,0,0,77.15821427,80.22774842,62.67236103,66.01177519,33.73286656,5.405994107,0,0,0,0,263.9099389,303.8103253,294.620486,313.4245243,319.2305716,165.3818452,0,0,0,0,9.180431628,15.53605194,20.93785587,24.77905529,33.27968454,35.74575695,0,0,0,0,1.941447524,2.433242608,2.543787937,2.845610608,3.236807085,2.36557416,0,0,0,0,178.6200885,333.8264647,476.921943,588.3334501,792.231694,983.8590256,0,0,0,0,3.146416667,4.937608595,6.356237931,6.937490128,9.644260913,5.32052519,0,0,0,0,0.425350094,0.553804064,0.595625699,0.659406088,0.772268979,0.544821779,0,0,0,0,342.5702258,198.0253776,14.79615944,165.5153326,-95.67742249,-19.54817239,177.0548932,293.7028001,34.34433184,0.674237282,0.389748093,0.029121393,0.325762718,-0.188309667,-0.038474174,174.0549844,100.6138345,7.517714933,84.09595016,-48.61231663,-9.932144085,0.363467694,0.679435028,10.53325134,20.27831605,449.259825,58.82573339,0.884220812,0.115779188,346.0061755,18.60124124,7.020390718,470.5945044,21.69319028,7.778256915,542.2927022,23.28717892,8.154761302,1.741404689,1.741404689,318.9571562,276.1450121,69.94207738,1.155035008,4.560304299,3.948195742,3.616270107,3.220194404,6.42424645,0.994987148,3.782243497,4.176849799,2.985987976,11.74758675,6.953251467,1.474400629,2.973013093,9.335118736,2.44904464,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337322539,4.30372162,0.226660141,4.185311385,0.33121844,0.023271695,0.275000569,0.494874788,1.050814869,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0.969469194,4.067497601,0.656187855,4.535056629,0.8381944,0.12481751,0.66872299,1.565392528,1.168080276,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.793087398,4.303384815,2.981656037,11.63381103,6.449908436,1.35490191,2.75301997,9.034932801,2.648310682,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.361918399,3.977740588,0.937022594,5.039449567,1.404897453,0.242638299,0.985654496,2.391661098,1.211198142,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.748236975,4.257085854,3.89484302,15.16567911,9.855805963,2.146325321,3.852338186,12.72197443,3.142420634,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.484116726,4.488422505,2.492409635,10.88401644,3.940693416,0.735478855,1.533927549,6.507276107,3.688916459,1.718839852,0.058521852,0.405615798,2.89E-15,3.97E-51,1.05E-108,5.38E-188,5.30E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.843356927,0.859642976,0.554820098,0.730979175,0.163497985,0.537692175,0.439323599,0.429968814,5.257820002,5.913233657,13.00413199,0.596468762,1.406984588,3.030096714,0.679301343,0.154080312,0.784292398,0.175826361,0.345968709,0.258250799,0.031991651,3.863478369,2.629893978,6.810523368,0.676438597,0.636211159,3.427492085,0.65763866,0.324374519,0.777296291,0.149141144,0.428726489,0.262314909,0.149743546,4.409505263,3.579163622,8.719825692,0.665944436,0.840784945,3.782328955,0.886883113,0.535901053,0.726656437,0.170386905,0.521339447,0.4649001,0.393945833,5.205113121,5.856719343,12.8595038,0.589984656,1.38018538,3.605732944,0.667590757,0.401570654,0.771297204,0.142803389,0.473235806,0.274955696,0.236574735,4.674894356,4.12319538,9.764732136,0.656945806,0.984766237,3.880853964,0.895377373,0.580158675,0.724527892,0.167160601,0.548268635,0.474151522,0.465924071,5.356390012,6.24580087,13.61814297,0.586791838,1.488344228,3.799502782,0.886914074,0.536959249,0.727403638,0.169797092,0.52604608,0.464828021,0.395485965,5.223376105,5.88624737,12.9190862,0.591105457,1.386360067 +UMLKV0182,L,2-METHYL-1-BUTANOL,CCC(C)CO,C5H12O,Alcohol,Alcohols,137-32-6,2.457522674,PubChem,,3.3928,0,-0.552,0.304704,24.6224,17.603516,0,0,18,6,12,0,5,0,1,0,0,0,0,0,0,0,989.481374,918.525433,1003.316377,934.258844,450.512373,80.809344,3.048192,0,0,2706.980219,3340.91352,4245.280188,4180.758316,2826.048557,982.4523969,93.25123329,0,0,131.675864,127.961068,226.768108,280.631936,284.28822,169.900416,20.155392,0,0,19.92305886,25.2786954,34.93808817,36.61778345,27.38151406,11.61010636,1.333838715,0,0,3038.434891,2530.053054,4960.191286,6428.552833,6768.210873,4407.028418,554.7529561,0,0,62.27777778,44,63.25,79.33333333,86,40,3,0,0,54.97118744,54.03090782,32.36504442,23.95535497,11.55159931,3.367056,1.016064,0,0,150.3877899,196.5243247,136.9445222,107.1989312,72.4627835,40.93551654,31.08374443,0,0,7.315325778,7.527121647,7.315100258,7.195690667,7.289441538,7.079184,6.718464,0,0,1.106836603,1.486982082,1.127035102,0.938917524,0.702090104,0.483754432,0.444612905,0,0,168.8019384,148.8266503,160.0061705,164.834688,173.5438685,183.6261841,184.917652,0,0,3.459876543,2.588235294,2.040322581,2.034188034,2.205128205,1.666666667,1,0,0,0.225457497,-0.103409787,-0.034193375,0.045593812,-0.032759205,-0.002442912,0.014482718,0,0,557.7912351,-66.11605249,-126.6202505,-82.79789952,-194.0616483,145.3220847,45.37814848,0,0,815.6252945,-79.2452518,-166.6805924,-305.0017385,-248.7965671,326.3349971,65.57650547,0,0,1.059967111,-0.095141383,-0.136576247,0.062409481,-0.300422963,-0.091328593,0.031076148,0,0,3.576219349,-0.265723223,-0.593319447,-1.81533496,-0.921828003,1.56239879,0.245697168,0,0,19.7674611,-1.32649563,-3.008159357,-10.62450125,-4.797903742,8.612081632,1.261247796,0,0,23.75308642,-3.492112483,-3.531550069,2.852880658,-6.085390947,-2.263374486,0.643004115,0,0,0.012525417,-0.006082929,-0.001103012,0.001169072,-8.40E-04,-1.02E-04,0.004827573,0,0,30.98840195,-3.889179558,-4.084524209,-2.123023065,-4.9759397,6.055086864,15.12604949,0,0,45.31251636,-4.6614854,-5.376793304,-7.820557398,-6.379399157,13.59729155,21.85883516,0,0,0.058887062,-0.005596552,-0.004405685,0.001600243,-0.007703153,-0.003805358,0.010358716,0,0,0.198678853,-0.015630778,-0.019139337,-0.04654705,-0.023636615,0.06509995,0.081899056,0,0,1.098192283,-0.078029155,-0.097037399,-0.272423109,-0.123023173,0.358836735,0.420415932,0,0,1.319615912,-0.205418381,-0.11392097,0.073150786,-0.156035665,-0.09430727,0.214334705,0,0,-0.485646814,-0.088061909,0.093335985,-0.067062011,-0.008126516,0.385422138,0,0,-0.12550436,-0.131808159,-0.068510247,-0.16057426,0.195398487,0.488119701,0,0,-0.102874123,-0.118660223,-0.172591549,-0.140786689,0.30007805,0.482401705,0,0,-0.095038736,-0.074815847,0.027174783,-0.130812315,-0.064621292,0.175908183,0,0,-0.078673586,-0.096333036,-0.234282862,-0.118968955,0.327664211,0.412218285,0,0,-0.071052361,-0.088361028,-0.248065037,-0.112023345,0.326752191,0.382825429,0,0,-0.155665281,-0.086328885,0.055433392,-0.118243243,-0.071465696,0.162422037,0,0,1.392431884,0.814188952,0.606755894,1.208326111,1.22322347,1.314412987,0,0,1.409452341,1.180958298,0.999029065,1.060226075,0.504943854,0,0,0,1.590373361,1.278605214,1.183707409,0.902749303,0.206461644,0,0,0,1.043987109,0.894935497,0.663607818,1.39244601,1.138463311,0,0,0,1.655711089,1.29519174,1.258320093,0.848847484,0.105101334,0,0,0,1.661705788,1.290419824,1.267833872,0.844902563,0.09796942,0,0,0,1.117983368,0.900392328,0.637194147,1.385514953,1.133186071,0,0,0,20.42144412,10.33572206,15.33447173,20.58811079,3.431351798,10.33580441,0.25,0.05377834,0.008963057,-1.753730694,40.79701439,6.799502398,2.225165341,20.42455101,10.33690829,15.33626064,20.59072806,3.43178801,10.33699053,0.249265579,0.053629002,0.008938167,-1.755399164,40.87913894,6.813189824,2.22637193,23.2019196,11.40146256,17.16348679,22.93592328,3.82265388,11.40148825,-0.398994478,0.091194792,0.015199132,-1.436854491,31.15610434,5.192684057,2.063406115,20.42781182,10.33815331,15.33813873,20.59347502,3.432245837,10.33823543,0.2484948,0.053472209,0.008912035,-1.757155933,40.96582575,6.827637625,2.227642921,26.18332907,12.55051741,19.59850408,25.46179957,4.243633261,12.55052528,-1.082294264,0.221825479,0.036970913,-0.903518602,22.86600661,3.811001101,1.877790828,20.7471864,10.46016029,15.52488159,20.86260919,3.477101532,10.46023167,0.173134186,0.037843982,0.00630733,-1.964569982,52.93489933,8.822483221,2.381437706,22.72545624,11.65439479,17.76876849,23.11434513,3.852390855,11.6544192,0.583333333,0.087958075,0.014659679,-1.458536997,29.48917229,4.914862049,2.030413893,0,11.99640057,15.99794223,-0.421324353,0.07210154,4.103494365,7.248503548,5,17,17,17,5,0,0,0,0,0,13.118484,3.471723689,2.834632539,2.5294604,1.82378712,1.424303836,0.921632112,0.083923071,0.083923071,1.866258151,1.467845174,1.209118027,0.847546296,0.438418931,0.34078572,0.083923071,0.083923071,3.478726552,2.832870999,2.490222729,1.866841115,1.331912292,1.027718587,0.270913902,0.270913902,1.816339236,1.388860976,1.162910992,0.730056194,0.396858421,0.192983939,0.270913902,0.270913902,3.617665031,3.074522638,2.814120617,2.243694996,1.88118357,1.548432746,0.943918427,0.943918427,1.624716425,1.083895585,0.778128918,0.28274838,0.202829277,0.381213777,0.943918427,0.943918427,3.494438301,2.860289454,2.505450713,1.919599497,1.339431966,1.103526305,0.399277246,0.399277246,1.785523447,1.342435559,1.128672282,0.652583071,0.351223883,0.086395,0.399277246,0.399277246,3.672344468,3.162049086,2.905770795,2.391676936,2.018877764,1.756960954,1.207644823,1.207644823,1.571462813,0.993498047,0.682740047,0.135392335,0.347202254,0.583465996,1.207644823,1.207644823,4.284953577,3.406284876,2.936877555,2.257240966,1.906659395,1.261551996,0.6,0.6,1.731582625,1.157449701,0.830182617,0.473801012,0.028700672,0.310746918,0.6,0.6,0,0,0,0,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.577350269,0.288675135,0,0.417774579,0.129099445,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.438777427,2.417181397,1.695994192,1.008597056,0.129099445,0,0,0,0.739796238,0.483436279,0.339198838,0.252149264,0.129099445,0,0,0,8.965765927,17.6576839,16.70196078,16.96,10.27156647,139.5813569,0.498098107,0.980982439,0.92788671,0.942222222,0.570642582,7.754519827,1.0248,26.5408,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,29,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.673888889,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0.673888889,0,0,0,0,0,0,0,0,0,0,0,0,0,1.526111111,0,0,0,0,0,0,0,0,0,0,0,4.098101852,0,1.409722222,0,0,0,0.490740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.673888889,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0.673888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,2.027777778,0,0.329861111,0,0,0,0.490740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.673888889,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0.673888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.070324074,0,1.079861111,0,0,0,0.490740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,2.388888889,0.673888889,8.334768519,0.24,0.329861111,2.658430926,1.170138889,2.334768519,4.865740741,1.170138889,2.334768519,4.865740741,2.83333,0.47222,0,0.02778,0.47593,0.82778,0.42,0.47593,0.75238,0.05593,0,-0.05593,0.0754,0.57047,0.14382,0,0.47059,0.17647,0,2.75,0.45833,2.75,0.45833,0,0,-2.75,-0.45833,0,0,4.94416,0.82403,5.73058,0.78641,0.13107,2.47948,0.41325,2.80805,0.32857,0.05476,0.10595,0.01766,0.10595,0.01766,0,5.01,1,1,1,1,1,1,1,1.134969975,1.94471679,3.086048612,3.419381946,3.187719446,2.261069445,20.42945954,35.00490222,55.54887502,61.54887502,57.37895002,40.69925001,0.272179949,0.46636733,0.74007293,0.820010419,0.764454863,0.542232641,3.034955027,2.225208211,1.083876389,0.750543056,0.982205556,1.908855556,0.27767102,0.475776017,0.755003466,0.836553647,0.77987729,0.553171866,10.25843817,16.9429018,19.31451736,19.65045903,16.87050903,8.297183763,21.93297423,15.25754858,13.84528056,13.26031806,11.87034306,7.468755558,6,3.2,3,6,0,4,1.9,0.8718,0.333333333,2.149139864,1.414213562,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,2.891,5,4,1,0,0,0,0,0,0,21,1.791759469,1.791759469,1.609437912,0.693147181,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,20.23,103.8266085,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,88.088815,4.893823056,10.6758508,1.779308466,2.363633046,2.363633046,0,31,4,1.148,20,1.216411765,2.109021302,2.856594138,3.436359309,4.006630398,4.960986366,0,0,0,0,77.15821427,76.95587386,76.27426937,47.31327196,16.08853946,5.040679651,0,0,0,0,263.9099389,311.6444121,323.2859168,263.6819024,173.9600493,154.2060323,0,0,0,0,9.180431628,15.49152274,20.63503194,25.21071558,28.79523554,33.3302083,0,0,0,0,1.941447524,2.511694225,2.772975027,2.481428848,1.969230812,2.205718559,0,0,0,0,178.6200885,333.7215899,468.1611717,593.5189241,734.9451584,917.3739505,0,0,0,0,3.206490196,4.434420925,6.017551921,8.029406999,7.468677151,4.960986366,0,0,0,0,0.425350094,0.558441024,0.635819942,0.609652265,0.503746827,0.508005004,0,0,0,0,331.4687864,196.6101078,15.02025734,154.5529168,-91.67278151,-20.67483587,176.9158696,288.2828893,35.69509321,0.682004084,0.404529482,0.030904499,0.317995916,-0.188618699,-0.042538915,161.1010241,95.55677945,7.300171053,75.11607185,-44.5549614,-10.04841894,0.353598743,0.666672116,9.738798943,23.03009678,423.9348903,62.08681292,0.872255061,0.127744939,346.0061755,18.60124124,7.020390718,470.5945044,21.69319028,7.778256915,546.6933284,23.38147404,8.176760136,1.520310739,1.191875336,292.5927814,251.4462291,70.78830304,1.163639568,4.13334928,3.552087255,3.516450868,3.220194404,5.518792456,0.713807231,3.782243497,4.176847,3.713842936,16.51783602,3.82524224,5.438922403,4.90382512,4.42848023,1.55293459,2.036328689,1.76E-10,3.08E-42,1.04E-95,6.80E-171,8.56E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337322539,4.3037216,0.321879012,4.596564695,0.574521621,0.197835109,0.439729822,0.194191792,0.137913826,0.216562637,1.96E-11,3.44E-43,1.16E-96,7.60E-172,9.57E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.969469194,4.067497395,0.791484781,5.810206695,0.777549611,0.761833824,0.99928795,0.73050349,0.175444477,0.381618839,3.40E-11,5.96E-43,2.02E-96,1.32E-171,1.66E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.793087398,4.303382321,3.98655898,15.73934036,3.485747676,4.947842486,5.207628179,4.084079479,1.425774686,2.51910812,2.21E-10,3.87E-42,1.31E-95,8.54E-171,1.07E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.361918399,3.977740142,1.038224502,6.930095158,1.053660818,1.299606291,1.309984805,1.188231935,0.278317277,0.387045622,3.37E-11,5.91E-43,2.00E-96,1.30E-171,1.64E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.748236975,4.257081772,5.007934802,21.29567464,5.326994214,7.481461153,6.698074678,5.957566792,2.240944991,2.973853707,2.56E-10,4.50E-42,1.52E-95,9.93E-171,1.25E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.48411676,4.540845075,4.551021925,11.46571093,2.089555018,2.647268175,5.979101788,2.153369902,0.938562642,4.208160782,3.79E-10,6.65E-42,2.25E-95,1.47E-170,1.85E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.705780101,1.203785571,0.57112542,0.603875618,0.268660692,0.514743588,0.462403348,0.47042555,4.480691092,5.49003138,11.83098022,0.405813427,1.447572485,2.822338094,0.63992194,0.168854467,0.777264967,0.176232928,0.56161486,0.12936823,0.038865691,3.631114501,2.39069414,6.326772652,0.665897451,0.729848781,2.497576933,0.910143285,0.339285625,0.666552719,0.242898816,0.438497838,0.263183461,0.163212644,3.747005843,3.429343359,7.947597297,0.499829079,0.864893943,2.788648375,1.168970833,0.553133273,0.618222433,0.259152068,0.546582281,0.435786282,0.439267722,4.51075248,5.448939477,11.76282269,0.42733365,1.421636285,2.429587745,1.025368957,0.416550757,0.627556003,0.264850053,0.41509989,0.33477441,0.248381728,3.87150746,3.930388683,8.839617325,0.441334004,0.998256028,2.759740596,1.232707678,0.596946414,0.601329976,0.268599186,0.535469195,0.485043939,0.514291315,4.589394688,5.785231102,12.40540969,0.401994964,1.534804449,2.791359157,1.172391567,0.554407801,0.617809035,0.259484381,0.547656059,0.438281808,0.44111612,4.518158525,5.47010026,11.80259487,0.426713552,1.427053987 +UMLKV0183,L,2-METHYL-2-BUTANOL,CCC(C)(C)O,C5H12O,Alcohol,Alcohols,75-85-4,2.439385285,PubChem,,2.7205,0,-0.1029,0.01058841,25.1429,17.603516,0,0,18,6,12,0,5,0,1,0,0,0,0,0,0,0,989.481374,918.525433,1333.208323,882.160487,235.238976,21.337344,0,0,0,2706.980219,3340.91352,4519.406187,4516.580377,2639.045493,652.758633,0,0,0,131.675864,127.961068,227.095204,297.782948,315.778176,141.087744,0,0,0,19.92305886,25.2786954,35.20936939,38.36093614,28.97415423,9.336871002,0,0,0,3038.434891,2530.053054,4960.099598,6366.608216,7908.757859,3883.270693,0,0,0,63.8125,44.375,75.25,112.25,73,21,0,0,0,54.97118744,54.03090782,43.0067201,22.61949967,5.2275328,1.016064,0,0,0,150.3877899,196.5243247,145.7872963,115.8097533,58.6454554,31.08374443,0,0,0,7.315325778,7.527121647,7.325651742,7.635460205,7.0172928,6.718464,0,0,0,1.106836603,1.486982082,1.135786109,0.983613747,0.643870094,0.444612905,0,0,0,168.8019384,148.8266503,160.0032128,163.2463645,175.7501746,184.917652,0,0,0,3.545138889,2.610294118,2.427419355,2.878205128,1.622222222,1,0,0,0,0.214443785,-0.121098139,0.064776939,-0.081209059,0.004974954,0.025333412,0,0,0,557.7912351,-66.11605249,203.2716955,-683.1500787,-50.54822122,317.6470394,0,0,0,815.6252945,-79.2452518,107.4454066,-838.6188314,-56.42950901,459.0355383,0,0,0,1.059967111,-0.095141383,0.190519753,-0.781014074,-0.061880889,0.217533037,0,0,0,3.576219349,-0.265723223,-0.322038229,-2.757332676,-0.162895723,1.719880176,0,0,0,19.7674611,-1.32649563,-3.099847297,-13.53445875,-0.751663446,8.828734571,0,0,0,24.05902778,-5.760609568,7.735146605,-15.98900463,-2.977430556,4.962384259,0,0,0,0.011913544,-0.00712342,0.002089579,-0.002082284,1.11E-04,0.001206353,0,0,0,30.98840195,-3.889179558,6.557151469,-17.51666869,-1.123293805,15.12604949,0,0,0,45.31251636,-4.6614854,3.465980858,-21.50304696,-1.253989089,21.85883516,0,0,0,0.058887062,-0.005596552,0.006145798,-0.020026002,-0.001375131,0.010358716,0,0,0,0.198678853,-0.015630778,-0.01038833,-0.070700838,-0.003619905,0.081899056,0,0,0,1.098192283,-0.078029155,-0.099995074,-0.347037404,-0.016703632,0.420415932,0,0,0,1.336612654,-0.338859386,0.249520858,-0.409974478,-0.066165123,0.236304012,0,0,0,-0.597926209,0.175395227,-0.174782888,0.009279736,0.101258954,0,0,0,-0.12550436,0.211600181,-0.565265312,-0.036248846,0.488119701,0,0,0,-0.102874123,0.076490584,-0.47454983,-0.027674232,0.482401705,0,0,0,-0.095038736,0.104365854,-0.340074735,-0.023352003,0.175908183,0,0,0,-0.078673586,-0.052287044,-0.355854873,-0.01821988,0.412218285,0,0,0,-0.071052361,-0.091054249,-0.31600787,-0.015210116,0.382825429,0,0,0,-0.253521007,0.186681502,-0.306726467,-0.049502093,0.176793188,0,0,0,1.495081052,0.578277298,1.764567201,0.814626777,0.199080957,0,0,0,1.409452341,0.856628199,1.749398848,0.76127291,0,0,0,0,1.590373361,1.094296118,1.511065099,0.735754096,0,0,0,0,1.043987109,0.725708335,2.13205038,0.657895465,0,0,0,0,1.655711089,1.253592748,1.404208514,0.693942316,0,0,0,0,1.661705788,1.292963423,1.387400702,0.679122402,0,0,0,0,1.21575985,0.6453382,2.082984558,0.690893347,0,0,0,0,18.33988636,9.294943181,13.38732163,18.50655303,3.084425505,9.295163209,0.25,0.131623654,0.021937276,-1.216685119,17.24573085,2.874288475,1.708538776,18.34278932,9.296027449,13.38851553,18.50896637,3.084827729,9.296247189,0.249265579,0.131564806,0.021927468,-1.216953437,17.24651777,2.874419628,1.708566153,20.97911032,10.29005792,14.59857126,20.713114,3.452185666,10.29013117,-0.398994478,0.044106804,0.007351134,-1.872684731,21.08755794,3.51459299,1.829209917,18.34583624,9.297165519,13.38976883,18.51149944,3.085249906,9.297384957,0.2484948,0.131502995,0.021917166,-1.217235391,17.24734618,2.874557696,1.708594972,23.86691145,11.39230859,16.69269156,23.14538194,3.857563656,11.3923324,-1.082294264,0.152061735,0.025343623,-1.130081213,60.79503939,10.13250656,2.464504918,18.64494363,9.409038908,13.51378974,18.76036642,3.126727737,9.409231005,0.173134186,0.125198336,0.020866389,-1.246713666,17.34230021,2.890383368,1.71188917,22.23006374,11.3733652,17.11414003,22.57450818,3.76241803,11.3733936,0.516666667,0.162479887,0.027079981,-1.090320634,15.19297969,2.532163282,1.632500075,0,11.99640057,15.99794223,-0.415305911,0.085092544,4.891451886,7.488420618,5,17,17,17,5,0,0,0,0,0,13.118484,3.511481793,2.779107874,2.333552793,2.049845808,1.656242546,0.404118374,0.083923071,0.083923071,1.853774299,1.475429069,1.249629723,0.845831022,0.558040749,0.083923071,0.083923071,0.083923071,3.494288648,2.818049198,2.405454588,1.904991636,1.620405176,0.508287607,0.270913902,0.270913902,1.817131132,1.385213837,1.134540686,0.757474412,0.587748173,0.270913902,0.270913902,0.270913902,3.637229896,3.048295999,2.704236987,2.356016197,2.107500946,0.961666516,0.943918427,0.943918427,1.624767597,1.082231754,0.76031856,0.291087158,0.006286556,0.943918427,0.943918427,0.943918427,3.502138779,2.853206081,2.457539916,1.93352528,1.599309644,0.589682269,0.399277246,0.399277246,1.795119043,1.326783819,1.058262671,0.734938654,0.543672034,0.399277246,0.399277246,0.399277246,3.682112325,3.14918233,2.838982085,2.44626244,2.243431704,1.207644823,1.207644823,1.207644823,1.579026643,0.985329368,0.631337262,0.158754203,0.100005627,1.142081152,1.207644823,1.207644823,4.177150499,3.204930372,2.899344835,2.612600818,1.935585859,0.61838942,0.571428571,0.571428571,1.721936652,1.191575035,0.898315104,0.50445335,0.153992625,0.571428571,0.571428571,0.571428571,0,0,0,0,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,0.893387954,0.158113883,0,0,1.060660172,0.353553391,0,0.669781157,0.158113883,0,5.207106781,2.560660172,2.914213562,1.060660172,0,0,0,0,0.86785113,0.512132034,0.416316223,0.353553391,0,0,0,0,4.654320377,2.28426697,2.16598765,0.865220664,0,0,0,0,0.775720063,0.456853394,0.309426807,0.288406888,0,0,0,0,8.965765927,17.6576839,16.70196078,16.96,10.27156647,139.5813569,0.498098107,0.980982439,0.92788671,0.942222222,0.570642582,7.754519827,1.1673,26.5888,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,24,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.554166667,0,8.826388889,0,0,0,0,0,0,0,0,0,0,0.554166667,0,0,0,0,0,0,0,0,0,0,0,0,0,1.195833333,0,0,0,0,0,0,0,0,0,0,0,5.555555556,0,0.826388889,0,0,0,0,0,0,0,0,0,-0.458333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.826388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.554166667,0,8.826388889,0,0,0,0,0,0,0,0,0,0,0.554166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.798611111,0,0.826388889,0,0,0,0,0,0,0,0,0,-0.458333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.826388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.554166667,0,8.826388889,0,0,0,0,0,0,0,0,0,0,0.554166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,1.958333333,0,0.826388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.826388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.75,2.458333333,0.554166667,8.826388889,0.25,-0.458333333,2.686027778,1.708333333,2.826388889,5.652777778,1.708333333,2.826388889,5.652777778,2.83333,0.47222,0,0.02778,0.47593,0.82778,0.42,0.47593,0.75238,0.05593,0,-0.05593,0.0754,0.57047,0.14382,0,0.64706,0,0.17647,2.75,0.45833,2.75,0.45833,0,0,-2.75,-0.45833,0,0,5.53157,0.92193,6.37132,0.83975,0.13996,2.29751,0.38292,2.56066,0.26315,0.04386,0.35334,0.05889,0.35334,0.05889,0,5.01,1,1,1,1,1,1,1,1.134969975,1.791667484,2.362740278,2.821888196,2.358563195,1.190810417,20.42945954,32.25001472,42.52932501,50.79398752,42.45413752,21.43458751,0.272179949,0.429664199,0.566614574,0.676723969,0.565612857,0.285571183,3.034955027,2.378257517,1.807184723,1.348036806,1.811361806,2.979114584,0.27767102,0.438332421,0.57804569,0.690376477,0.577023764,0.291332414,10.25843817,15.10631013,17.36419634,17.8269371,12.2670371,1.200128547,21.93297423,17.39589441,15.68588195,15.6482882,12.8683382,4.694068752,6,1.632653061,5.333333333,6,0,4,1.9,0.8718,1.144714243,1.889881575,0,2.381101578,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.436,0.422,0.37,0.184,2.707,7,3,0,0,0,0,0,0,0,21,1.791759469,2.079441542,1.386294361,0,0,0,0,0,0,0,3.091042453,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,5,1,0,2,3,0.5,3,0.666666667,0,0,0,0,0,0,0,0,0.6,0.095238095,0,0,0,0,0,0,0,0,0.695238095,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,20.23,103.8266085,3.584962501,3.218875825,3.80666249,4.634728988,5.252273428,6.084499413,6.708084084,7.5416831,8.166500319,9.000483165,65.41379081,2.397895273,0,3.663561646,0,5.081404365,0,6.532334292,0,7.989899375,8.256088134,88.088815,4.893823056,10.46599026,1.74433171,2.301776695,2.301776695,0,28,3,1.159,24,1.216411765,2.107778965,2.898518332,3.403951952,3.922995841,0,0,0,0,0,77.15821427,103.0231005,68.96703954,18.40056796,3.986014846,0,0,0,0,0,263.9099389,335.0770225,345.8428646,205.1036263,121.9414001,0,0,0,0,0,9.180431628,15.5770548,22.15290029,23.87666108,26.35650633,0,0,0,0,0,1.941447524,2.542558446,2.914267461,2.240051337,1.744214576,0,0,0,0,0,178.6200885,333.0964967,471.4568493,595.8817917,725.4311798,0,0,0,0,0,3.210566176,5.500259363,8.416409052,5.524449545,3.922995841,0,0,0,0,0,0.425350094,0.583726002,0.691409386,0.515855595,0.401714774,0,0,0,0,0,318.2541023,175.89018,14.42240416,142.9150341,-78.98515963,-14.63879951,175.3390682,254.8753397,29.06120367,0.690102778,0.381400589,0.031273568,0.309897222,-0.171271565,-0.0317428,146.7689695,81.11512243,6.65116767,65.90800284,-36.42551785,-6.750962529,0.380855669,0.705334969,13.04237601,16.93345826,402.9165228,58.25261362,0.873684926,0.126315074,346.0061755,18.60124124,7.020390718,470.5945044,21.69319028,7.778256915,590.3183585,24.29646802,8.388714808,1.267790508,1.186876342,188.8315055,185.6354317,108.8266645,1.017216938,1.735158441,1.705789961,3.338653043,3.220194404,5.261228039,0.633823111,3.782243497,4.176873519,2.314154647,14.70804367,7.08138967,5.662690315,4.025288016,6.657112493,1.876965427,0.006683872,3.96E-24,4.53E-67,9.99E-132,4.25E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337322539,4.303721787,0.146232693,5.701537681,0.960059102,0.115555587,0.266007513,0.321130085,0.013219621,4.71E-05,2.79E-26,3.19E-69,7.04E-134,2.99E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.969469194,4.067499342,0.503668185,6.457331797,1.578487063,0.595526488,0.792653858,1.193178975,0.137758643,4.91E-04,2.91E-25,3.32E-68,7.33E-133,3.12E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.793087398,4.303405949,2.151338626,14.64128675,6.86089717,5.12593832,3.743024771,6.120200287,1.672342403,0.00595521,3.53E-24,4.04E-67,8.90E-132,3.79E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.361918399,3.977744369,0.774299048,7.213191392,2.113480787,1.110177059,1.217275312,1.916894072,0.299230181,0.001065558,6.32E-25,7.22E-68,1.59E-132,6.77E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.748236975,4.257120448,2.951173854,18.13413086,9.550250372,8.04515007,5.297865917,8.814266718,2.737377675,0.0097478,5.78E-24,6.61E-67,1.46E-131,6.20E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.311979175,3.995746895,0.949992723,13.82665412,5.399160734,2.285447725,2.239701518,3.33853913,0.61288667,0.002182489,1.29E-24,1.48E-67,3.26E-132,1.39E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.304217599,1.201721088,0.761438042,0.539961139,0.281606515,0.490227256,0.472345686,0.386701388,4.267376729,5.438581969,11.8144011,0.309941709,1.349274329,1.519006122,0.65375285,0.624460969,0.54304136,0.233715211,0.219554388,0.221300352,0.154943776,2.797219941,2.349857754,5.76720152,0.314562041,0.595798516,1.918575916,0.90419242,0.574324201,0.564769989,0.266166556,0.340842731,0.265285676,0.219992941,3.397092537,3.35594597,7.749354193,0.347154984,0.826121349,2.244851544,1.167112342,0.792912479,0.53386862,0.277561631,0.465240905,0.447776261,0.42199391,4.204876366,5.325382688,11.60768495,0.300802931,1.335011076,2.087298241,1.020227821,0.573530592,0.567037793,0.27715624,0.402709092,0.337299644,0.218035212,3.681056654,3.911780999,8.814182369,0.350556689,0.958043948,2.338316322,1.23134594,0.796224092,0.535587996,0.282038019,0.504791071,0.497092446,0.423420056,4.365886354,5.721527403,12.37996292,0.303381994,1.425303573,2.255653893,1.171585632,0.789798616,0.53489056,0.27782192,0.469665528,0.450927617,0.418472059,4.217038142,5.349520727,11.65375311,0.30233584,1.339065204 +UMLKV0184,L,3-METHYL-2-BUTANOL,CC(C)C(C)O,C5H12O,Alcohol,Alcohols,598-75-4,2.444401088,PubChem,,2.6799,0,0.1135,0.01288225,26.129,17.603516,0,0,18,6,12,0,5,0,1,0,0,0,0,0,0,0,989.481374,918.525433,1168.26235,990.682652,288.614592,24.385536,0,0,0,2706.980219,3340.91352,4382.343187,4417.200846,2782.23679,746.0098663,0,0,0,131.675864,127.961068,226.931656,289.289216,304.280064,161.243136,0,0,0,19.92305886,25.2786954,35.07372878,37.5571801,28.57971216,10.67070972,0,0,0,3038.434891,2530.053054,4960.145442,6397.557602,7323.009673,4438.023649,0,0,0,63.55555556,44.44444444,69,100.3333333,86,24,0,0,0,54.97118744,54.03090782,37.68588226,25.40211928,6.871776,1.016064,0,0,0,150.3877899,196.5243247,141.3659093,113.2615602,66.24373311,31.08374443,0,0,0,7.315325778,7.527121647,7.320376,7.417672205,7.244763429,6.718464,0,0,0,1.106836603,1.486982082,1.131410606,0.963004618,0.680469337,0.444612905,0,0,0,168.8019384,148.8266503,160.0046917,164.0399385,174.3573732,184.917652,0,0,0,3.530864198,2.614379085,2.225806452,2.572649573,2.047619048,1,0,0,0,0.22017335,-0.113263499,0.010056643,0.009340017,-0.056417787,0.040197951,0,0,0,557.7912351,-66.11605249,38.32572253,-300.5010026,-313.6294728,363.0251879,0,0,0,815.6252945,-79.2452518,-29.61759292,-503.2787852,-320.2830611,524.6120438,0,0,0,1.059967111,-0.095141383,0.026971753,-0.277528296,-0.432894815,0.248609185,0,0,0,3.576219349,-0.265723223,-0.457678838,-2.218513513,-0.811771444,1.965577344,0,0,0,19.7674611,-1.32649563,-3.054003327,-12.10240198,-3.490811977,10.08998237,0,0,0,24.04938272,-5.157750343,1.729766804,-2.711934156,-11.44855967,5.563786008,0,0,0,0.012231853,-0.006662559,3.24E-04,2.39E-04,-0.001343281,0.001674915,0,0,0,30.98840195,-3.889179558,1.23631363,-7.705153914,-7.4673684,15.12604949,0,0,0,45.31251636,-4.6614854,-0.955406223,-12.90458424,-7.62578717,21.85883516,0,0,0,0.058887062,-0.005596552,8.70E-04,-0.00711611,-0.010307019,0.010358716,0,0,0,0.198678853,-0.015630778,-0.014763833,-0.056884962,-0.019327892,0.081899056,0,0,0,1.098192283,-0.078029155,-0.098516236,-0.310318,-0.083114571,0.420415932,0,0,0,1.336076818,-0.303397079,0.055798929,-0.069536773,-0.272584754,0.231824417,0,0,0,-0.544689253,0.026521561,0.019579014,-0.109818248,0.136930573,0,0,0,-0.12550436,0.039896011,-0.248646378,-0.240973007,0.488119701,0,0,0,-0.102874123,-0.021084819,-0.284790722,-0.168293173,0.482401705,0,0,0,-0.095038736,0.014775004,-0.120843356,-0.175030288,0.175908183,0,0,0,-0.078673586,-0.07431004,-0.286316138,-0.097282077,0.412218285,0,0,0,-0.071052361,-0.089707638,-0.282571645,-0.075683077,0.382825429,0,0,0,-0.227080565,0.041763264,-0.05204549,-0.204018774,0.173511294,0,0,0,1.447004113,0.705453707,1.145300611,1.280535479,0.336777133,0,0,0,1.409452341,1.018793249,1.309763744,1.104188892,0,0,0,0,1.590373361,1.186450666,1.310760728,0.906286043,0,0,0,0,1.043987109,0.810321916,1.364200624,1.355438462,0,0,0,0,1.655711089,1.274392244,1.322997837,0.80356753,0,0,0,0,1.661705788,1.291691623,1.328122746,0.783613671,0,0,0,0,1.191991786,0.780353713,1.296951508,1.380096803,0,0,0,0,18.97494184,9.612470919,14.03857309,19.1416085,3.190268084,9.612633226,0.25,0.031090897,0.005181816,-2.082504129,15.17027025,2.528378375,1.631602565,18.97792445,9.613595017,14.04002714,19.14410151,3.190683585,9.613757107,0.249265579,0.031010498,0.005168416,-2.084057691,15.17027169,2.528378615,1.631602622,21.66926364,10.63513458,15.54687224,21.40326732,3.56721122,10.63518729,-0.398994478,0.06681145,0.011135242,-1.62352848,16.82269637,2.803782728,1.693637369,18.98105492,9.614774862,14.04155363,19.14671812,3.191119687,9.614936725,0.2484948,0.030926056,0.005154343,-2.085693722,15.17027527,2.528379212,1.631602763,24.59363684,11.75567129,17.7847783,23.87210733,3.978684555,11.75568805,-1.082294264,0.196044449,0.032674075,-0.977648319,40.65631292,6.776052153,2.223092474,19.28807678,9.730605481,14.19320854,19.40349957,3.233916594,9.730746783,0.173134186,0.022348738,0.00372479,-2.280591266,15.18177608,2.530296013,1.63205746,23.07462847,11.79286979,18.19392051,23.41536921,3.902561535,11.79288895,0.511111111,0.061610984,0.010268497,-1.672149065,13.6012337,2.266872284,1.566096301,0,11.99640057,15.99794223,-0.418122115,0.079759068,4.576436311,7.248504889,5,17,17,17,5,0,0,0,0,0,13.118484,3.492437682,2.826437953,2.333552793,2.122330902,1.383903955,0.796173372,0.083923071,0.083923071,1.859597445,1.467129201,1.249629723,0.828139422,0.453400458,0.261373013,0.083923071,0.083923071,3.48661293,2.834596194,2.405454588,1.994262158,1.361309191,0.898816284,0.270913902,0.270913902,1.816767718,1.388488147,1.134540686,0.817172294,0.374269051,0.109530932,0.270913902,0.270913902,3.628025356,3.070918029,2.704236987,2.437612989,1.846531778,1.444838608,0.943918427,0.943918427,1.624742836,1.084090887,0.76031856,0.332889788,0.178839102,0.485212565,0.943918427,0.943918427,3.498319732,2.861692106,2.457539916,1.996191567,1.383143854,0.979340462,0.399277246,0.399277246,1.790756071,1.339278972,1.058262671,0.806352811,0.304238589,0.00143553,0.399277246,0.399277246,3.677519901,3.16099278,2.838982085,2.524496137,1.999312327,1.659413822,1.207644823,1.207644823,1.575353806,0.994155134,0.631337262,0.228986621,0.328548025,0.695822757,1.207644823,1.207644823,4.18573331,3.317213367,2.836884539,2.621291805,1.72182287,1.140403981,0.576923077,0.576923077,1.733905735,1.171024239,0.890522574,0.434982824,0.035108095,0.295054328,0.576923077,0.576923077,0,0,0,0,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.666666667,0,0.333333333,0,0.482404532,0,0.149071198,0,1.333333333,0,0,0.780546929,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,4.601914134,2.323583031,1.984620357,0.964809064,0,0,0,0,0.766985689,0.464716606,0.33077006,0.241202266,0,0,0,0,8.965765927,17.6576839,16.70196078,16.96,10.27156647,139.5813569,0.498098107,0.980982439,0.92788671,0.942222222,0.570642582,7.754519827,1.0232,26.5188,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,24,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.602777778,0,8.62962963,0,0,0,0,0,0,0,0,0,0,0.602777778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.597222222,0,0,0,0,0,0,0,0,0,0,0,5.777777778,0,0,0,0,0,0.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.62962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.602777778,0,8.62962963,0,0,0,0,0,0,0,0,0,0,0.602777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.796296296,0,0,0,0,0,-0.148148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.62962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.602777778,0,8.62962963,0,0,0,0,0,0,0,0,0,0,0.602777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.990740741,0,0,0,0,0,0.407407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.62962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66666667,2.444444444,0.602777778,8.62962963,0.2625,-0.148148148,2.606185185,1.481481481,2.62962963,5.259259259,1.481481481,2.62962963,5.259259259,2.83333,0.47222,0,0.02778,0.47593,0.82778,0.42,0.47593,0.75238,0.05593,0,-0.05593,0.0754,0.57047,0.14382,0,0.64706,0.35294,0,2.75,0.45833,2.75,0.45833,0,0,-2.75,-0.45833,0,0,5.31424,0.88571,6.13075,0.81651,0.13608,2.35416,0.39236,2.64272,0.28856,0.04809,0.27128,0.04521,0.27128,0.04521,0,5.01,1,1,1,1,1,1,1,1.134969975,1.791667484,2.47385139,2.932999307,2.469674306,1.190810417,20.42945954,32.25001472,44.52932501,52.79398752,44.45413752,21.43458751,0.272179949,0.429664199,0.593260404,0.703369798,0.592258687,0.285571183,3.034955027,2.378257517,1.696073612,1.236925695,1.700250695,2.979114584,0.27767102,0.438332421,0.605229084,0.71755987,0.604207158,0.291332414,10.25843817,15.10631013,17.4761769,17.93891766,12.37901766,1.200128547,21.93297423,17.39589441,15.44477917,15.40718542,12.62723542,4.694068752,6,2.222222222,3,6,0,4,1.9,0.8718,1.144714243,0,4.242640687,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0.348,0.421,0.415,0.371,0.175,2.663,6,4,0,0,0,0,0,0,0,21,1.791759469,1.945910149,1.609437912,0,0,0,0,0,0,0,3.091042453,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,5,1,0,2,3,0.5,2,0.888888889,0,0,0,0,0,0,0,0,0.4,0.148148148,0,0,0,0,0,0,0,0,0.548148148,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,20.23,103.8266085,3.584962501,3.135494216,3.761200116,4.465908119,5.141663557,5.837730447,6.52649486,7.220373837,7.912423121,8.605753368,63.60704164,2.397895273,0,3.555348061,0,4.875197323,0,6.244166901,0,7.626082758,7.917536354,88.088815,4.893823056,10.52364588,1.75394098,2.325355914,2.325355914,0,29,4,1.039,22,1.216411765,2.108415495,2.875549929,3.428953667,3.964373426,0,0,0,0,0,77.15821427,90.15549607,80.75052707,24.99927615,4.028057121,0,0,0,0,0,263.9099389,323.4676505,341.6600004,235.6918809,123.2275704,0,0,0,0,0,9.180431628,15.53872812,21.40863758,24.97380732,26.63450014,0,0,0,0,0,1.941447524,2.526542293,2.851107038,2.390122064,1.762611585,0,0,0,0,0,178.6200885,333.4537471,469.3827702,595.3276113,733.0826257,0,0,0,0,0,3.221267974,4.960096799,7.685133878,7.282693057,3.964373426,0,0,0,0,0,0.425350094,0.571209656,0.671051467,0.573292057,0.405951839,0,0,0,0,0,320.5183725,183.6241032,12.80222611,129.2274667,-74.03406392,-17.35704752,191.2909058,257.6581671,30.15927363,0.712665565,0.408284162,0.028465469,0.287334435,-0.164613116,-0.038593014,144.1518044,82.58417639,5.757747925,58.11951544,-33.29651221,-7.806259904,0.366763978,0.685099365,7.716005479,22.28139309,396.1849078,53.56093134,0.880908445,0.119091555,346.0061755,18.60124124,7.020390718,470.5945044,21.69319028,7.778256915,570.1156806,23.87709531,8.291905209,1.194181627,1.095700112,250.5704079,160.5078655,115.0557738,1.561109838,2.177816894,1.395043988,3.447851884,3.220194404,5.261229667,0.633823617,3.782243497,4.176831693,3.03639366,14.29885704,5.641967912,2.737064544,3.553469708,7.101444214,1.876935621,0.006683872,3.96E-24,4.53E-67,9.99E-132,4.25E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337322539,4.303721492,0.224982716,5.42013816,0.817644706,0.030012255,0.265636546,0.359289243,0.013219411,4.71E-05,2.79E-26,3.19E-69,7.04E-134,2.99E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.969469194,4.067496272,0.654665624,6.279561793,1.210013541,0.210742252,0.761779891,1.266007022,0.137756455,4.91E-04,2.91E-25,3.32E-68,7.33E-133,3.12E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.793087398,4.303368682,3.02516714,14.12347701,5.335759106,2.444204221,3.329067694,6.638176759,1.672315847,0.00595521,3.53E-24,4.04E-67,8.90E-132,3.79E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.361918399,3.977737701,0.938717463,7.07908475,1.623671852,0.44505219,1.144570473,1.998541339,0.299225429,0.001065558,6.32E-25,7.22E-68,1.59E-132,6.77E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.748236975,4.257059448,3.974984217,17.58587024,7.704585709,3.983327755,4.607750451,9.462986014,2.737334206,0.0097478,5.78E-24,6.61E-67,1.46E-131,6.20E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.345034201,4.10594711,2.281932991,12.56848143,3.824005933,0.948482868,2.156807662,4.107498579,0.624719696,0.002224662,1.32E-24,1.51E-67,3.33E-132,1.41E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.292303611,1.508867312,0.535768471,0.528553296,0.347910629,0.482788553,0.458181746,0.423017869,4.336939395,5.495329523,11.68537526,0.314695887,1.363988167,1.73712354,1.194270798,0.141858207,0.565239437,0.388601581,0.411180371,0.286165491,0.030997595,3.073252545,2.49043826,5.857989262,0.430761528,0.728343456,1.939683887,1.258251103,0.31278428,0.552503273,0.358402654,0.35874999,0.337561482,0.14876295,3.51071927,3.440873183,7.714976703,0.36635889,0.845074422,2.24340539,1.545693074,0.516532928,0.521039816,0.358993358,0.466975142,0.491129708,0.394911413,4.305631392,5.424810298,11.52157963,0.320049762,1.353016263,2.082442405,1.268458185,0.390491565,0.556595598,0.339033743,0.400520897,0.327670769,0.229513654,3.741392154,3.949989528,8.722861682,0.343444011,0.957705321,2.32578991,1.553528075,0.559832931,0.52392675,0.349960635,0.496824213,0.485331352,0.460340342,4.439150916,5.784949878,12.2468779,0.310831077,1.442495908,2.253396568,1.545589816,0.517355991,0.522061591,0.358078596,0.470477584,0.489845229,0.395724107,4.316342374,5.448255151,11.56645883,0.32021028,1.35604692 +UMLKV0185,L,4-METHYL-2-PENTANOL,CC(C)CC(C)O,C6H14O,Alcohol,Alcohols,108-11-2,2.603368154,PubChem,,3.1204,0,0.3691,0.13623481,30.5808,20.697102,0,0,21,7,14,0,6,0,1,0,0,0,0,0,0,0,1135.777623,1087.00373,1361.970887,1022.493408,879.905468,276.421824,24.385536,0,0,3192.664609,3993.903654,5295.890299,5286.936192,4051.846017,2409.231857,746.0098663,0,0,152.653308,149.736848,269.661164,352.010568,358.858496,223.658496,161.243136,0,0,23.60118467,30.29468402,42.76141892,46.44306835,37.93954988,23.2443573,10.67070972,0,0,3535.064551,2963.092506,5884.347641,7876.558601,8838.335283,5103.997848,4438.023649,0,0,67.80555556,49.66666667,79.44444444,103.6666667,90.33333333,74,24,0,0,54.08464871,54.3501865,36.81002397,21.301946,17.25304839,9.2140608,1.016064,0,0,152.0316481,199.6951827,143.1321702,110.144504,79.44796112,80.30772857,31.08374443,0,0,7.269205143,7.4868424,7.288139568,7.3335535,7.036441098,7.4552832,6.718464,0,0,1.123865937,1.514734201,1.155714025,0.967563924,0.743912743,0.77481191,0.444612905,0,0,168.3364072,148.1546253,159.0364227,164.0949709,173.3006918,170.1332616,184.917652,0,0,3.228835979,2.483333333,2.147147147,2.159722222,1.77124183,2.466666667,1,0,0,0.224413066,-0.111011174,0.014382613,-0.052356675,0.076119882,-0.079385674,0.040044494,0,0,638.6281311,-66.44114433,-3.463459061,-462.7834378,351.0088177,-494.7754179,357.1405758,0,0,965.983639,-78.0117429,-100.9839761,-643.2919993,385.972983,-581.7949148,535.1178306,0,0,1.082321143,-0.089402612,0.023806367,-0.404660898,0.252638939,-0.53819249,0.214650122,0,0,4.253148428,-0.249912087,-0.751838106,-2.368427271,0.95944765,-1.777190931,2.06134653,0,0,23.45618849,-1.219488698,-4.60525269,-12.11843415,3.941961387,-8.407648176,10.68076809,0,0,24.47089947,-4.829428068,3.047304107,-11.32237339,9.786281179,-13.49017385,4.572940287,0,0,0.010686336,-0.005550559,3.89E-04,-0.001090764,0.001492547,-0.002646189,0.001668521,0,0,30.41086339,-3.322057216,-0.093607002,-9.64132162,6.882525836,-16.49251393,14.88085733,0,0,45.9992209,-3.900587145,-2.729296652,-13.40191665,7.568097705,-19.39316383,22.29657628,0,0,0.051539102,-0.004470131,6.43E-04,-0.008430435,0.004953705,-0.01793975,0.008943755,0,0,0.202530878,-0.012495604,-0.020319949,-0.049342235,0.018812699,-0.059239698,0.085889439,0,0,1.116961357,-0.060974435,-0.124466289,-0.252467378,0.077293361,-0.280254939,0.445032004,0,0,1.165280927,-0.241471403,0.08235957,-0.235882779,0.191887866,-0.449672462,0.190539179,0,0,-0.519407068,0.036375354,-0.102070907,0.139668699,-0.247623603,0.156135885,0,0,-0.109239161,-0.003078078,-0.317035445,0.226318002,-0.542323107,0.489327026,0,0,-0.084796809,-0.059333541,-0.291350949,0.16452665,-0.421597659,0.48471639,0,0,-0.0867328,0.012484023,-0.163573579,0.096115464,-0.348080369,0.17353339,0,0,-0.06169728,-0.100330128,-0.243628208,0.092888054,-0.292497117,0.424080712,0,0,-0.054589565,-0.111432941,-0.22603054,0.069199673,-0.250908357,0.398430976,0,0,-0.207221622,0.070677867,-0.202425676,0.164670906,-0.385891892,0.163513514,0,0,1.436411387,0.699453795,1.201907548,0.598942465,1.927246816,0.389039555,0,0,1.420617299,1.082045994,1.359099741,0.561987884,1.58845942,0,0,0,1.575881923,1.239393568,1.311243376,0.624985413,1.260362047,0,0,0,1.044336986,0.805919564,1.358304489,0.558907724,2.186377567,0,0,0,1.628819317,1.312044903,1.2738326,0.673486988,1.112871702,0,0,0,1.633454525,1.324950818,1.263292454,0.68703989,1.087688569,0,0,0,1.182810811,0.740598977,1.394797297,0.489666137,2.233945946,0,0,0,27.27118176,13.76059088,21.09087361,27.44975319,3.921393313,13.76059382,0.25,0.026495935,0.003785134,-2.541534772,40.128551,5.732650142,2.584461653,27.27432442,13.761795,21.09243262,27.45237126,3.921767323,13.76179794,0.249265579,0.02642258,0.003774654,-2.543475443,40.17001682,5.738573831,2.585184607,30.11585394,14.85842973,22.60175108,29.83085788,4.261551126,14.85843063,-0.398994478,0.049279663,0.007039952,-2.107170662,33.09915334,4.728450476,2.449655392,27.27762288,13.76305884,21.09406915,27.45511916,3.92215988,13.76306177,0.2484948,0.026345566,0.003763652,-2.545518708,40.21373763,5.744819662,2.585946069,33.21918331,16.06844452,24.55129269,32.44611597,4.635159425,16.06844478,-1.082294264,0.1522544,0.021750629,-1.317541731,26.17820816,3.739744023,2.285449121,27.60117512,13.88715465,21.25573973,27.7248424,3.960691771,13.8871572,0.173134186,0.018680225,0.002668604,-2.786202864,45.84058804,6.548655434,2.67761893,32.57032796,16.53747879,26.33744004,32.9307777,4.704396814,16.53747898,0.50462963,0.054210215,0.007744316,-2.040420143,30.94815613,4.421165162,2.402619395,0,11.99635526,15.9979425,-0.418467985,0.077810151,4.576436164,7.445258918,6,20,20,20,6,0,0,0,0,0,15.304898,3.511808455,3.076561675,2.333552793,2.231408939,2.013068244,1.099037174,0.860209742,0.083923071,1.887574439,1.588756993,1.249629723,1.117972042,0.682416021,0.391614545,0.288192792,0.083923071,3.516051248,3.069619354,2.405454588,2.288173903,1.826472864,1.168962768,0.950817246,0.270913902,1.839930545,1.530470607,1.134540686,1.010591005,0.700405093,0.248906262,0.149511353,0.270913902,3.650045561,3.269771576,2.704236987,2.589310619,2.318794166,1.648414325,1.497259889,0.943918427,1.655246046,1.267319545,0.76031856,0.634406114,0.164061693,0.294631063,0.446979541,0.943918427,3.530520612,3.086686486,2.457539916,2.337056265,1.802867338,1.236310884,1.022775525,0.399277246,1.810807526,1.494001429,1.058262671,0.941365079,0.69725655,0.150772557,0.046110974,0.399277246,3.701788808,3.339929115,2.838982085,2.718238991,2.398425529,1.837606142,1.706069443,1.207644823,1.604567046,1.196970275,0.631337262,0.508889267,0.068327785,0.481479383,0.650471973,1.207644823,4.245724978,3.436529563,2.938732365,2.642252836,2.407289954,1.413056775,1.220766255,0.590163934,1.77075219,1.331640604,0.871761033,0.799377312,0.193640046,0.023989953,0.310959652,0.590163934,0,0,0,0,0,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.590822476,0,0,0,0.471404521,0.942809042,0.23570226,0.341111516,0.551930026,0.105409255,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,5.309020915,2.806746278,2.478570477,0.812516037,0.682223031,0,0,0,0.758431559,0.467791046,0.354081497,0.203129009,0.170555758,0,0,0,10.50759373,20.54552076,19.42745098,19.72,12.07012096,162.609612,0.500361606,0.978358131,0.925116713,0.939047619,0.574767665,7.743314856,1.4133,31.1358,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,38,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.585277778,0,8.722777778,0,0,0,0,0,0,0,0,0,0,0.585277778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.814722222,0,0,0,0,0,0,0,0,0,0,0,6.027222222,0,0.916666667,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.722777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.585277778,0,8.722777778,0,0,0,0,0,0,0,0,0,0,0.585277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,1.819444444,0,0.916666667,0,0,0,-0.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.722777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.585277778,0,8.722777778,0,0,0,0,0,0,0,0,0,0,0.585277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.103888889,0,0.916666667,0,0,0,0.625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.722777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.16666667,2.30952381,0.585277778,8.722777778,0.24,-0.125,3.258093333,1.458333333,2.722777778,5.861111111,1.458333333,2.722777778,5.861111111,3.33333,0.47619,0,0.02381,0.46984,0.80952,0.42174,0.46984,0.74583,0.0481,0,-0.0481,0.06369,0.58823,0.12606,0,0.55,0.3,0,3.25,0.46429,3.25,0.46429,0,0,-3.25,-0.46429,0,0,6.62618,0.9466,7.47656,0.85037,0.12148,2.83176,0.40454,3.12588,0.29412,0.04202,0.28812,0.04116,0.28812,0.04116,0,6.01,1,1,1,1,1,1,1,1.115520094,1.875145811,2.843301946,3.236857303,3.027699331,2.286305536,23.42592197,39.37806204,59.70934087,67.97400337,63.58168595,48.01241626,0.253970737,0.426914913,0.647335261,0.736936107,0.68931706,0.52052375,3.276797329,2.517171611,1.549015477,1.155460119,1.364618092,2.106011887,0.258107046,0.433867887,0.657878124,0.748938259,0.700543661,0.52900129,9.935135927,16.33021075,18.74795252,19.14458746,16.63469179,11.28929451,25.72285013,18.43414611,16.55856113,16.14509377,14.89014593,11.73409456,7,3.06122449,6,7,0,5,2.01,1.0127,0.944940787,1.5,3.464101615,0,0,2,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.348,0.421,0.415,0.371,0.175,3.162,7,4,4,0,0,0,0,0,0,28,1.945910149,2.079441542,1.609437912,1.609437912,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,2.5,0.444444444,0.5,0,0,0,0,0,0,0,0.416666667,0.063492063,0.125,0,0,0,0,0,0,0,0.60515873,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,20.23,121.1225932,3.807354922,3.295836866,3.891820298,4.65396035,5.262690189,6.033086222,6.64509097,7.417580402,8.030409562,8.803424212,67.03389907,2.564949357,0,3.713572067,0,4.976733742,0,6.300785795,0,7.655864018,7.958576904,102.1044651,4.862117384,12.50916243,1.787023205,2.353722019,2.353722019,0,48,4,1.819,26,1.2214,2.116932418,2.875904505,3.440378192,4.303272879,4.770637719,0,0,0,0,77.91771384,88.1166644,67.13894588,66.55756506,39.71918894,4.847273243,0,0,0,0,269.3444456,327.8657657,333.242243,298.6099994,353.9987865,148.2892836,0,0,0,0,9.169769619,15.52192718,21.13938777,24.26309326,31.80794626,32.05135777,0,0,0,0,1.986542612,2.58679635,2.880875897,2.728846074,3.44121421,2.121087094,0,0,0,0,178.525005,332.8298398,469.4416465,590.6241409,726.474553,882.1751257,0,0,0,0,3.07425,4.787928158,6.310844427,6.231618889,10.16535164,4.770637719,0,0,0,0,0.431093955,0.577600652,0.656286991,0.625847153,0.816618969,0.488513302,0,0,0,0,358.5956863,224.6112639,12.19960801,134.7501084,-84.40255506,-15.91452037,223.8455779,309.0138189,28.11412838,0.726864788,0.455281602,0.024728311,0.273135212,-0.171081939,-0.032258348,176.9116738,110.8110225,6.018625307,66.47839931,-41.6396456,-7.851361701,0.335437009,0.627020562,4.392967793,15.92829567,454.8463948,38.49939985,0.921962647,0.078037353,408.0877446,20.20118176,7.417391191,552.0501458,23.4957474,8.203380253,706.5916722,26.58179212,8.906823334,1.465754876,1.098242147,379.2962583,301.9659798,108.8609707,1.256089373,3.484226309,2.773868153,3.777742288,3.22022378,6.424248771,0.99496967,4.381799444,5.130528446,3.30376921,15.55599897,6.822725503,4.634403795,5.439840263,9.814356434,3.757064641,5.56719222,0.884260915,1.126710553,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384429003,5.252756249,0.247357905,7.557501604,0.826887165,0.213989288,0.318712426,0.582241454,1.109232456,0.076317574,0.00622899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.123649838,5.017031279,0.726821031,7.626668583,1.297986022,0.647551556,0.917315302,1.776143727,1.390498929,0.503936456,0.064902493,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.356808952,5.258169166,3.277733114,15.44093032,6.390532886,4.565849819,4.96900922,9.505530668,3.847613624,4.985818673,0.787861291,1.003878818,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.591292342,4.927357446,1.045045042,8.161073774,1.812687644,0.991082807,1.460917366,2.674227349,1.573238769,1.003304595,0.140974259,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.482758104,5.21298423,4.298355923,18.96774633,9.426055321,6.533344697,7.36428239,13.21576441,4.889551555,7.998192649,1.289607956,1.643201451,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.80629938,5.040551856,2.523598735,16.03301767,4.027929998,3.781154946,2.300740827,6.654066735,4.247451214,2.107126232,0.307987142,0.392425927,2.80E-15,3.84E-51,1.02E-108,5.20E-188,5.13E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.608059357,1.297104829,0.557827629,0.660454835,0.237434884,0.516578067,0.533652149,0.413396348,5.462991815,7.416267323,15.48990985,0.490682252,1.463626564,2.832596583,0.929573926,0.155984996,0.722941338,0.237247839,0.323243191,0.25061661,0.032546647,3.918155505,3.219950078,7.548830913,0.584412007,0.606406447,3.199998383,1.027396738,0.328099075,0.702448131,0.225529151,0.406209149,0.331953777,0.143798426,4.555494195,4.674672325,10.30884731,0.553672196,0.881961352,3.555834928,1.303378571,0.539226692,0.658678211,0.241436142,0.501514143,0.537708979,0.386310732,5.398440191,7.254816669,15.15235637,0.488017317,1.425533854,3.364257295,1.081241494,0.406228748,0.693414308,0.22285701,0.449090579,0.370145261,0.220190926,4.851727537,5.443463991,11.7728789,0.540121463,1.039426766,3.647609704,1.335713415,0.58334518,0.655259036,0.239948447,0.527948576,0.566032391,0.451747111,5.566668299,7.779158736,16.1879788,0.482888554,1.545728078,3.569998089,1.306304857,0.540052812,0.659114402,0.241177817,0.505525058,0.540255739,0.38749178,5.416355759,7.296966965,15.23186217,0.488671604,1.433272577 +UMLKV0186,L,O-CRESOL,CC1=CC=CC=C1O,C7H8O,Alcohol,Alcohols,95-48-7,2.805383166,PubChem,,4.4238,0,1.2867,1.65559689,36.8433,18.456344,6,6,16,8,8,0,7,0,1,0,0,0,0,0,0,0,1273.94536,1302.889444,1686.774194,1522.808252,604.765774,88.8552,4.064256,0,0,3429.679045,4152.51776,5463.684848,5151.560357,3043.866269,1028.701646,124.3349777,0,0,119.88304,122.112088,185.958872,218.430536,212.005504,125.680896,26.873856,0,0,23.72240724,29.19121816,39.68625043,38.76137997,26.17292201,11.43784439,1.778451619,0,0,2552.352995,2297.945932,3713.265034,4437.02231,4612.403196,3169.80884,739.6706081,0,0,69.55555556,54.77777778,75.66666667,95,81.33333333,28,4,0,0,79.621585,81.43059025,67.47096776,52.51062938,21.59877764,4.9364,1.016064,0,0,214.3549403,259.53236,218.5473939,177.6400123,108.7095096,57.15009142,31.08374443,0,0,7.49269,7.6320055,7.43835488,7.532087448,7.571625143,6.982272,6.718464,0,0,1.482650452,1.824451135,1.587450017,1.336599309,0.934747215,0.6354358,0.444612905,0,0,159.5220622,143.6216207,148.5306014,153.0007693,164.7286856,176.1004911,184.917652,0,0,4.347222222,3.423611111,3.026666667,3.275862069,2.904761905,1.555555556,1,0,0,0.214210196,-0.114532112,0.016602103,0.026776588,-0.071650692,0.016981598,0.018717418,0,0,543.054135,-22.933991,54.51410306,-183.8724352,-444.2125023,192.6932556,132.2845022,0,0,844.7408722,41.8791648,5.80366458,-459.2270378,-530.4199451,315.9441469,203.6495705,0,0,1.007631,-0.121445,0.062040562,-0.058088187,-0.53485225,0.076973125,0.07155625,0,0,3.861248463,0.388302838,-0.258811184,-2.462913463,-1.695529672,1.297826633,0.800500616,0,0,21.56644259,2.408941763,-1.886200946,-14.1171349,-8.230019321,6.865609439,4.175582665,0,0,22.86111111,-4.444444444,1.710069444,0.828125,-13.47916667,1.947916667,2.006944444,0,0,0.013388137,-0.007158257,6.64E-04,9.23E-04,-0.002558953,9.43E-04,0.004679354,0,0,33.94088344,-1.433374437,2.180564123,-6.3404288,-15.86473222,10.70518087,33.07112556,0,0,52.79630451,2.6174478,0.232146583,-15.8354151,-18.94356947,17.55245261,50.91239262,0,0,0.062976937,-0.007590312,0.002481623,-0.002003041,-0.019101866,0.004276285,0.017889062,0,0,0.241328029,0.024268927,-0.010352447,-0.08492805,-0.060554631,0.07210148,0.200125154,0,0,1.347902662,0.15055886,-0.075448038,-0.486797755,-0.293929261,0.381422747,1.043895666,0,0,1.428819444,-0.277777778,0.068402778,0.028556034,-0.48139881,0.108217593,0.501736111,0,0,-0.534671619,0.049602428,0.068966324,-0.191135871,0.070467018,0.349514975,0,0,-0.042231501,0.064245945,-0.186808007,-0.467422489,0.315406665,0.97437433,0,0,0.049576345,0.004397023,-0.299934157,-0.358804838,0.332456083,0.964317353,0,0,-0.120525272,0.039405258,-0.031805944,-0.303315258,0.067902392,0.284057358,0,0,0.100564064,-0.042897824,-0.351919546,-0.250922495,0.298769604,0.829266102,0,0,0.111698615,-0.055974396,-0.36115201,-0.21806416,0.282974993,0.774459236,0,0,-0.194410693,0.047873633,0.019985754,-0.336920673,0.075739166,0.351154313,0,0,1.339807261,0.54923319,0.86201069,1.535582161,0.881420184,0.243020061,0,0,0.939216005,0.820139449,1.109893475,1.457798963,0.636876443,0,0,0,0.939889463,0.983885024,1.228889189,1.214001674,0.596378313,0,0,0,0.985442588,0.575663115,1.027779771,1.812797967,0.515410238,0,0,0,0.948933074,1.055405231,1.298563768,1.105850202,0.544988062,0,0,0,0.952603176,1.067226392,1.314480557,1.087560121,0.52811499,0,0,0,1.04799514,0.577399757,0.970377509,1.814789099,0.546780073,0,0,0,21.9392234,11.0946117,15.25181753,22.1267234,2.765840425,11.09467557,0.25,0.107028107,0.013378513,-1.787731038,37.14253761,4.642817201,2.891810303,21.94262401,11.09594479,15.25330963,22.12957319,2.766196649,11.09600857,0.249265579,0.107090519,0.013386315,-1.787264666,37.11612108,4.639515135,2.891241125,25.03506728,12.3180364,17.0864824,24.93531866,3.116914833,12.31805412,-0.398994478,0.248672505,0.031084063,-1.113294791,122.9500925,15.36876156,3.849422817,21.94619327,11.09734404,15.25487625,22.13256437,2.766570546,11.09740772,0.2484948,0.107156215,0.013394527,-1.786774042,37.08847266,4.636059083,2.890644969,28.42832349,13.67301461,20.06155808,28.15774992,3.51971874,13.67301912,-1.082294264,0.407373518,0.05092169,-0.718419824,87.01509472,10.87688684,3.572865285,22.29664493,11.23488956,15.41162054,22.42649557,2.803311946,11.23494439,0.173134186,0.11464463,0.014330579,-1.732734486,34.75499036,4.344373796,2.838658535,22.20833135,11.15370399,15.46684146,22.52579167,2.815723959,11.15377322,0.634920635,0.177741104,0.022217638,-1.381941809,60.35116338,7.543895423,3.28014418,0,11.99632008,15.99794276,-0.386376277,0.101098685,4.903598247,7.736132828,8,16,13,10,2,3,0,0,0,6,8.745656,3.795888992,2.88551268,2.75111913,2.19078145,1.659725476,0.758357422,0.731126766,0.083923071,1.952309348,1.412033189,1.05422898,0.817262934,0.45501659,0.239438613,0.006654865,0.083923071,3.789249216,2.908641968,2.695531527,2.179115755,1.497646429,0.883205396,0.829040509,0.270913902,1.935547795,1.327838263,1.047528294,0.786329846,0.40136443,0.072115425,0.128575768,0.270913902,3.851259471,3.056564852,2.870200994,2.461733714,1.973373985,1.3981582,1.295936464,0.943918427,1.844898039,1.086234411,0.811342382,0.444121008,0.132394757,0.509878159,0.631268589,0.943918427,3.792482345,2.930949849,2.693154026,2.203211541,1.469480079,0.974320684,0.904321176,0.399277246,1.925484766,1.27453212,1.054053193,0.749938679,0.351659922,0.041535284,0.222116691,0.399277246,3.871367694,3.133081741,2.901301338,2.550318918,2.077409555,1.617970729,1.486003925,1.207644823,1.825206987,1.01609395,0.773987237,0.35576001,0.244667496,0.72487573,0.819306071,1.207644823,4.073349113,3.509292851,2.961567311,2.533681362,2.047435959,1.077684209,1.006108589,0.525,1.879390322,1.208001462,0.847204377,0.556879902,0.103647461,0.161744317,0.316964892,0.525,0,0,0,5,1,1,0,0,0,0,0,0,0.083333333,0.166666667,0,0,0,0.027777778,0.040200378,0.471404521,0,0.166666667,0,0.20888729,0,0.0372678,0,1.138071187,1.040440115,1.138071187,0.370301711,0.283422889,0.246867807,5.983127663,3.804530453,3.239024819,2.540336414,1.501661279,1.024377395,0.333333333,0.083333333,0.747890958,0.475566307,0.323902482,0.230939674,0.150166128,0.102437739,0.083333333,0.083333333,4.756614672,2.550957067,1.786486626,1.115454155,0.563420527,0.316696519,0.080400755,0.0124226,0.594576834,0.318869633,0.178648663,0.101404923,0.056342053,0.031669652,0.020100189,0.0124226,9.88211032,15.8820102,15.25098039,15.44,10.67445749,120.4956251,0.617631895,0.992625637,0.953186275,0.965,0.667153593,7.530976572,1.84552,34.432,31.15378298,42.72358734,62.30756596,7.788445745,31.15378298,3.33E-16,4.16E-17,-28.51055062,41.24325189,5.155406487,2.975590007,54,1,0,1,6,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,4,0,0,0,0,0,0,0,0,1,0,0,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.659583333,0,8.919259259,8.543703704,0,0,0,0,0,0,0,0,0,0.659583333,0,0,0,0,0,0,0,0,0,0,0,1.938055556,0,0,0,0,1.938055556,0,0,0,0,0,0,0,0,1.87037037,0,0,0,0,7.252037037,0,0,0,0,1.291666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.919259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.659583333,0,8.919259259,0.368055556,0,0,0,0,0,0,0,0,0,0.659583333,0,0,0,0,0,0,0,0,0,0,0,0.464375,0,0,0,0,0.464375,0,0,0,0,0,0,0,0,1.87037037,0,0,0,0,1.675925926,0,0,0,0,0.368055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.919259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.659583333,0,8.919259259,1.89787037,0,0,0,0,0,0,0,0,0,0.659583333,0,0,0,0,0,0,0,0,0,0,0,0.517708333,0,0,0,0,0.517708333,0,0,0,0,0,0,0,0,1.87037037,0,0,0,0,1.89787037,0,0,0,0,0.923611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.919259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.33333333,2.416666667,0.659583333,8.919259259,0.270833333,0.368055556,3.234692407,1.298611111,2.919259259,5.838518519,1.298611111,2.919259259,5.838518519,3.83333,0.47917,0,0.02083,0.54792,0.79583,0.43333,0.4803,0.74074,0.11458,0.06761,-0.04697,0.05509,0.60209,0.1122,0,0.21739,0.26087,0,10.75,1.34375,4.25,0.53125,6.5,0.8125,2.25,0.28125,0.5,0.0625,3.46396,0.433,8.47399,5.01003,0.62625,1.50793,0.18849,3.80452,2.29659,0.28707,0.10948,0.01369,0.19548,0.02444,0.375,8.01,0,1,1,1,1,1,0.142857143,1.271782222,2.702819531,3.077819531,3.577819531,3.577819531,3.577819531,20.34851555,43.2451125,49.2451125,57.2451125,57.2451125,57.2451125,0.317945555,0.675704883,0.769454883,0.894454883,0.894454883,0.894454883,2.728217778,1.297180469,0.922180469,0.422180469,0.422180469,0.422180469,0.299388871,0.636267809,0.724546151,0.842250608,0.842250608,0.842250608,10.76402783,20.21096029,24.71096029,26.58889467,25.2148728,25.2148728,27.91485331,22.10845859,17.60845859,15.35845859,16.60845859,16.60845859,6.125,2.52,1.487603306,0,7,0,2.12,0.916,0,1.373178096,1.414213562,0,3.965406457,4.298279727,0,1,0,0,0,0,0,0,0,0,0,0,0,0.546,0.429,0.423,0.851,0.837,4.247,10,11,10,10,4,1,0,0,0,62,2.48490665,3.020424886,3.457892725,3.803880847,4.201890189,3.446011397,2.151035195,0,0,0,5.384064924,3.498487903,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,1.5,1.111111111,0.375,0.222222222,0,0,0,0,0,0,0.1875,0.111111111,0.046875,0.111111111,0,0,0,0,0,0,0.456597222,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,20.23,107.252743,4,3.610917913,4.369447852,5.153291594,5.932245187,6.717804695,7.501634458,8.287276756,9.072341874,9.857914707,76.50287504,2.833213344,0,4.043051268,0,5.476463552,0,7.00033446,0,8.555836815,8.796490207,108.0575149,6.75359468,15.53340973,1.941676217,2.489139696,2.489139696,0,60,8,1.127,36,1.228456484,2.175655421,3.033349308,3.837201967,4.506177042,5.699715043,0,0,0,0,109.5386402,157.4602672,166.8116349,86.62129256,23.56394881,5.791275266,0,0,0,0,339.866218,500.1570301,553.5145984,428.8478529,265.142516,177.1684857,0,0,0,0,9.386990557,16.2592339,22.92164036,29.04185125,31.59281111,38.29333033,0,0,0,0,2.355576711,3.587512774,4.129940959,3.668991987,2.912505704,2.534166862,0,0,0,0,174.2981019,320.2064613,461.3192834,628.8087547,791.3741828,1053.977923,0,0,0,0,4.299194333,6.831606924,10.26391585,11.20554331,7.263569179,5.699715043,0,0,0,0,0.506219935,0.78089055,0.944834389,0.876611931,0.67251926,0.58365082,0,0,0,0,195.7394828,122.8554044,11.68594524,107.4786298,-67.45869734,-15.32178599,88.26085303,190.3141018,27.00773123,0.645540206,0.405171721,0.038539733,0.354459794,-0.222475817,-0.050530576,59.35175655,37.25198385,3.543390261,32.58946727,-20.45469889,-4.645843029,0.347007533,0.57377563,4.222084569,18.75886934,258.3572494,44.86086317,0.852050846,0.147949154,645.2132559,25.40104832,8.641074719,730.8068454,27.03343939,9.007429443,1077.174489,32.82033652,10.25090054,1.459640368,1.439000674,361.2228279,219.7348296,144.8596068,1.643903374,2.493606298,1.516881306,3.622952522,3.785524729,5.736871498,0.515475901,3.203654718,1.994990162,3.530976353,6.413415467,0.541720336,4.590238068,3.140120578,6.362887723,0.332520447,0.735006316,0.002381446,8.99E-26,7.25E-70,1.22E-135,4.17E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.294738072,2.035486396,0.242443452,2.525764972,0.067769962,1.242840927,1.03414384,0.46597943,0.007426784,0.005857427,1.68E-05,6.33E-28,5.10E-72,8.58E-138,2.93E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.796564637,1.960095644,0.815857253,2.84240755,0.154281417,1.084634935,1.11128581,1.291809166,0.030282481,0.05569057,1.75E-04,6.60E-27,5.32E-71,8.94E-137,3.06E-224,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.312579964,2.035374177,3.295340838,6.428705116,0.520272202,4.488944989,3.280484718,6.465298831,0.313913266,0.655353251,0.002121826,8.01E-26,6.46E-70,1.09E-135,3.71E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.087338837,1.931449423,1.238555811,3.119282929,0.216541932,1.246561962,1.259117313,1.819522091,0.054658847,0.119292975,3.80E-04,1.43E-26,1.16E-70,1.94E-136,6.64E-224,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.10264887,2.020594795,4.443453685,8.092446377,0.655910368,6.267773324,3.863093817,8.499968693,0.484960391,1.069725705,0.003473115,1.31E-25,1.06E-69,1.78E-135,6.08E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.785436351,2.140423781,1.631170011,5.336236327,0.354318851,3.924388587,3.668551928,4.995813781,0.158284803,0.205051023,6.56E-04,2.48E-26,2.00E-70,3.36E-136,1.15E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.280935278,1.890616999,0.104531456,0.621850495,0.358337186,0.584163605,0.506363891,0.125022177,5.276083733,6.743581896,12.66807341,0.470281521,1.215549673,2.021045533,1.39218733,0.015591814,0.589428076,0.406024647,0.241305659,0.243836233,0.002781558,3.428824677,2.866892475,6.339587433,0.493179085,0.487923451,2.450984612,1.444663446,0.04585236,0.621840505,0.36652627,0.326824506,0.296686312,0.024055655,3.941500419,3.719472534,7.823329184,0.482550163,0.647566473,3.191220872,1.919635278,0.099402299,0.612488018,0.368433792,0.554730922,0.524244207,0.113054046,5.210258449,6.634011017,12.45320598,0.471382715,1.192029175,2.710321658,1.487551566,0.062560863,0.636160918,0.34915493,0.397917915,0.311547783,0.044781517,4.260434087,4.294365797,8.807029219,0.477973772,0.754247215,3.395151165,1.977463499,0.113023207,0.618916386,0.360480138,0.625938821,0.554621515,0.146159912,5.485637871,7.321017641,13.5654693,0.469094786,1.326720248,3.201538993,1.910905375,0.09960903,0.614256752,0.366631964,0.557880936,0.519257782,0.113524775,5.212053399,6.627083696,12.44852901,0.471333075,1.190663494 +UMLKV0187,L,M-CRESOL,CC1=CC(=CC=C1)O,C7H8O,Alcohol,Alcohols,108-39-4,2.805355856,PubChem,,6.7506,0,1.2867,1.65559689,36.8433,18.456344,6,6,16,8,8,0,7,0,1,0,0,0,0,0,0,0,1273.94536,1302.889444,1686.774194,1357.862279,713.287939,142.230816,7.112448,0,0,3429.679045,4152.51776,5463.684848,5014.497358,2944.486738,1171.892943,217.586211,0,0,119.88304,122.112088,185.958872,218.266988,203.511772,114.182784,47.029248,0,0,23.72240724,29.19121816,39.68625043,38.62573936,25.36916597,11.04340233,3.112290334,0,0,2552.352995,2297.945932,3713.265034,4437.068154,4643.352582,2584.060653,1294.423564,0,0,69.55555556,54.66666667,77.77777778,89.33333333,69,41,7,0,0,79.621585,81.43059025,67.47096776,46.82283721,25.47456925,9.4820544,1.016064,0,0,214.3549403,259.53236,218.5473939,172.913702,105.1602406,78.12619619,31.08374443,0,0,7.49269,7.6320055,7.43835488,7.526447862,7.268277571,7.6121856,6.718464,0,0,1.482650452,1.824451135,1.587450017,1.331922047,0.906041642,0.736226822,0.444612905,0,0,159.5220622,143.6216207,148.5306014,153.0023501,165.8340208,172.2707102,184.917652,0,0,4.347222222,3.416666667,3.111111111,3.08045977,2.464285714,2.733333333,1,0,0,0.21374233,-0.111970434,0.029176786,-0.041193586,0.036463841,-0.056524658,0.037176886,0,0,543.054135,-22.933991,54.51410306,-348.8184082,42.63745275,-228.4241031,231.4978789,0,0,844.7408722,41.8791648,5.80366458,-596.2900373,-90.75571663,-139.3942599,356.3867484,0,0,1.007631,-0.121445,0.062040562,-0.221636187,0.07542075,-0.423419062,0.125223437,0,0,3.861248463,0.388302838,-0.258811184,-2.598554072,-0.929644926,0.067207035,1.400876078,0,0,21.56644259,2.408941763,-1.886200946,-14.07129093,-5.947052366,1.405111516,7.307269665,0,0,22.86111111,-4.555555556,3.821180556,-7.116319444,3.798611111,-10.890625,3.512152778,0,0,0.013358896,-0.006998152,0.001167071,-0.001420468,0.00130228,-0.003768311,0.005310984,0,0,33.94088344,-1.433374437,2.180564123,-12.02822097,1.52276617,-15.22827354,33.07112556,0,0,52.79630451,2.6174478,0.232146583,-20.56172543,-3.241275594,-9.292950661,50.91239262,0,0,0.062976937,-0.007590312,0.002481623,-0.007642627,0.002693598,-0.028227937,0.017889062,0,0,0.241328029,0.024268927,-0.010352447,-0.089605313,-0.033201605,0.004480469,0.200125154,0,0,1.347902662,0.15055886,-0.075448038,-0.485216929,-0.212394727,0.093674101,1.043895666,0,0,1.428819444,-0.284722222,0.152847222,-0.245390326,0.135664683,-0.726041667,0.501736111,0,0,-0.523857086,0.087362868,-0.106331281,0.09748411,-0.282082488,0.397561585,0,0,-0.042231501,0.064245945,-0.354387386,0.044865248,-0.448670512,0.97437433,0,0,0.049576345,0.004397023,-0.389453876,-0.061392092,-0.176015173,0.964317353,0,0,-0.120525272,0.039405258,-0.121355967,0.042771185,-0.448226583,0.284057358,0,0,0.100564064,-0.042897824,-0.371300894,-0.137578733,0.018565887,0.829266102,0,0,0.111698615,-0.055974396,-0.359979205,-0.157574232,0.069496191,0.774459236,0,0,-0.19927096,0.106974484,-0.171743411,0.094948794,-0.508140948,0.351154313,0,0,1.326927464,0.517920543,1.011855451,0.8145343,1.925479081,0.684027473,0,0,0.939216005,0.820139449,1.266999143,0.902828542,1.496458892,0,0,0,0.939889463,0.983885024,1.312813926,0.976314079,0.997082997,0,0,0,0.985442588,0.575663115,1.111732918,0.820102512,2.309214385,0,0,0,0.948933074,1.055405231,1.316733782,1.01341052,0.791411055,0,0,0,0.952603176,1.067226392,1.313381053,1.020785026,0.760510542,0,0,0,1.05255164,0.52199271,1.153894499,0.78111439,2.318347509,0,0,0,22.33193832,11.29096916,16.02803491,22.51943832,2.81492979,11.29102202,0.25,0.078101528,0.009762691,-2.039796525,59.46201652,7.432752065,3.268270185,22.3353908,11.29232819,16.02980737,22.52233999,2.815292498,11.29238097,0.249265579,0.077900264,0.009737533,-2.041860752,59.51855903,7.439819879,3.269030544,25.46329509,12.53215031,17.93479746,25.36354647,3.170443309,12.53216471,-0.398994478,0.153909126,0.019238641,-1.497114353,47.24001087,5.905001359,3.084192977,22.33901447,11.29375463,16.03166832,22.52538557,2.815673196,11.29380734,0.2484948,0.077688862,0.009711108,-2.044034707,59.57820854,7.447276068,3.269831903,28.87931201,13.89850887,20.74194622,28.60873845,3.576092306,13.89851249,-1.082294264,0.37263061,0.046578826,-0.789734138,111.0327825,13.87909782,3.767860397,22.69461476,11.43387447,16.21735701,22.8244654,2.853058175,11.43391974,0.173134186,0.056144953,0.007018119,-2.303854794,67.4729059,8.434113237,3.369380899,22.20441732,11.21890848,16.16021514,22.39033089,2.798791361,11.21897289,0.634920635,0.183277688,0.022909711,-1.357402283,46.93885655,5.867357069,3.079076664,0,11.85,15.99491639,-0.360408859,0.091100683,4.751371426,7.618508717,8,16,13,10,2,3,0,0,0,6,8.745656,3.793120357,2.92995053,2.72232262,2.0844606,1.796320159,0.855894763,0.413489934,0.244292723,1.9535682,1.403492909,1.051664154,0.829119408,0.494628684,0.271810935,0.083923071,0.083923071,3.78816863,2.922036131,2.691091011,2.136117693,1.573589872,0.970626683,0.518624443,0.3939951,1.935528941,1.33215928,1.04428799,0.742153151,0.491178892,0.108658792,0.270913902,0.270913902,3.849832513,3.081132411,2.854253585,2.389212118,2.085282798,1.458075629,0.961856376,0.952964378,1.844941737,1.087933448,0.811011811,0.425665919,0.076099555,0.455016896,0.943918427,0.943918427,3.791959644,2.937584789,2.691775931,2.177508017,1.528179404,1.054920139,0.598042024,0.498912139,1.924719009,1.290681938,1.040010226,0.684633476,0.464860479,0.001926033,0.399277246,0.399277246,3.870653079,3.145866378,2.894209784,2.496789055,2.171944349,1.668453384,1.207644823,1.207644823,1.824686559,1.023978831,0.771634923,0.321804482,0.174584602,0.659767432,1.141031584,1.174060159,4.073262096,3.526774569,2.925470917,2.439161321,2.217484991,1.159785691,0.643070661,0.5831384,1.879883156,1.199862986,0.84306398,0.591872871,0.096024136,0.150510212,0.525,0.525,0,0,0,5,1,1,0,0,0,0,0,0,0.083333333,0.166666667,0,0,0,0.027777778,0.040200378,0.577350269,0,0,0,0.241202266,0,0,0,0.741581624,1.093412989,1.020220057,0.259859326,0.294194548,0.225351233,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,4.756614672,2.544974003,1.839003483,1.001656402,0.627970249,0.30592486,0.101917329,0,0.594576834,0.31812175,0.183900348,0.10016564,0.057088204,0.030592486,0.020383466,0,9.88211032,15.8820102,15.25098039,15.44,10.67445749,120.4956251,0.617631895,0.992625637,0.953186275,0.965,0.667153593,7.530976572,1.42022,31.7468,30.91733718,41.28122386,61.83467437,7.729334296,30.91733718,0,0,0,4000010.293,500001.2866,12.16144599,54,1,0,1,6,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,4,0,0,0,0,0,0,0,0,1,0,0,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.682083333,0,8.813055556,8.576111111,0,0,0,0,0,0,0,0,0,0.682083333,0,0,0,0,0,0,0,0,0,0,0,1.962361111,0,0,0,0,1.962361111,0,0,0,0,0,0,0,0,1.944166667,0,0,0,0,7.150185185,0,0,0,0,1.425925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.813055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.682083333,0,8.813055556,0.337962963,0,0,0,0,0,0,0,0,0,0.682083333,0,0,0,0,0,0,0,0,0,0,0,0.452222222,0,0,0,0,0.452222222,0,0,0,0,0,0,0,0,1.944166667,0,0,0,0,1.659722222,0,0,0,0,0.337962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.813055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.682083333,0,8.813055556,1.944166667,0,0,0,0,0,0,0,0,0,0.682083333,0,0,0,0,0,0,0,0,0,0,0,0.523333333,0,0,0,0,0.523333333,0,0,0,0,0,0,0,0,1.944166667,0,0,0,0,1.944166667,0,0,0,0,1.087962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.813055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.33333333,2.416666667,0.682083333,8.813055556,0.234375,0.337962963,3.262970556,1.328703704,2.813055556,5.626111111,1.328703704,2.813055556,5.626111111,3.83333,0.47917,0,0.02083,0.54792,0.79583,0.43333,0.4803,0.74074,0.11458,0.06761,-0.04697,0.05509,0.60209,0.1122,0,0.21739,0.26087,0,10.75,1.34375,4.25,0.53125,6.5,0.8125,2.25,0.28125,0.5,0.0625,3.43007,0.42876,8.42549,4.99542,0.62443,1.50662,0.18833,3.78768,2.28106,0.28513,0.12632,0.01579,0.21232,0.02654,0.375,8.01,0,1,1,1,1,1,0.142857143,1.271782222,2.702819531,3.202819531,3.702819531,3.702819531,3.702819531,20.34851555,43.2451125,51.2451125,59.2451125,59.2451125,59.2451125,0.317945555,0.675704883,0.800704883,0.925704883,0.925704883,0.925704883,2.728217778,1.297180469,0.797180469,0.297180469,0.297180469,0.297180469,0.299388871,0.636267809,0.753972266,0.871676722,0.871676722,0.871676722,10.76402783,20.21096029,26.21096029,26.7148728,26.7148728,26.7148728,27.91485331,22.10845859,16.10845859,15.10845859,15.10845859,15.10845859,6.125,2.52,1.8,0,7,0,2.12,0.916,0,1.519671371,1.154700538,0,3.532775529,5.111544834,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.546,0.429,0.423,0.851,0.837,4.247,10,10,11,10,5,0,0,0,0,62,2.48490665,3.020424886,3.409496184,3.852803646,4.201890189,3.595598464,0,0,0,0,5.375856944,3.469758065,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,2,0.666666667,0.5,0.222222222,0,0,0,0,0,0,0.25,0.066666667,0.071428571,0.074074074,0,0,0,0,0,0,0.462169312,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,2.22E-16,2.78E-17,-28.83492271,4000010.414,500001.3017,12.16144602,20.23,107.252743,4,3.610917913,4.343805422,5.141663557,5.888877958,6.690842277,7.44132039,8.24407127,8.995288991,9.798182591,76.15497037,2.833213344,0,4.043051268,0,5.451038454,0,6.947937069,0,8.479906607,8.727292029,108.0575149,6.75359468,15.53295821,1.941619777,2.493824656,2.493824656,0,61,7,1.338,36,1.228456484,2.175655504,3.034159491,3.818538682,4.972772654,5.485907322,0,0,0,0,109.5386402,157.4612423,150.7313817,109.6786407,47.40451266,5.574032937,0,0,0,0,339.866218,500.1580567,539.4517137,429.6890433,385.5312745,170.5225412,0,0,0,0,9.386990557,16.25925027,22.89237809,28.02611446,38.03360711,36.85687085,0,0,0,0,2.355576711,3.587514088,4.112196176,3.607160089,3.612790604,2.43910519,0,0,0,0,174.2981019,320.2064752,461.6850492,627.5462076,859.3108184,1014.441101,0,0,0,0,4.290035229,7.039830536,9.615714789,10.17508108,13.89636679,5.485907322,0,0,0,0,0.506219935,0.780891868,0.9301121,0.855697377,0.915254365,0.56175691,0,0,0,0,205.7959827,129.1507504,13.66726319,102.2876961,-64.19237409,-15.26858304,103.5082866,193.3431245,28.93584622,0.667987293,0.419206726,0.044362179,0.332012707,-0.208360191,-0.049559857,63.40238343,39.78923831,4.210660721,31.5131697,-19.77662276,-4.704001232,0.347032577,0.574265499,7.631008993,19.47812545,252.176035,55.90764378,0.818530978,0.181469022,645.2132559,25.40104832,8.641074719,730.8068454,27.03343939,9.007429443,1060.711652,32.56856847,10.19840951,1.385249518,1.377580835,396.1732776,272.644867,126.9001866,1.453074404,3.121928251,2.148498551,3.730638819,3.785389562,5.736871498,0.515530014,3.203654718,1.994990162,2.979083185,6.878939616,0.516440806,4.307784033,2.855590022,4.316631849,0.700170346,4.539758463,0.002381447,8.99E-26,7.25E-70,1.22E-135,4.17E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.294738072,2.035486396,0.238585783,2.570806401,0.04379872,1.239785136,1.002147929,0.328747167,0.349943279,0.230841327,1.68E-05,6.33E-28,5.10E-72,8.58E-138,2.93E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.796564637,1.960095644,0.775437042,2.96072266,0.140274693,1.063323486,1.055987598,0.971901764,0.236131724,0.562470491,1.75E-04,6.60E-27,5.32E-71,8.94E-137,3.06E-224,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.312579964,2.035374177,2.803635922,6.917875748,0.487506339,4.236918487,2.922526293,4.270580242,0.77458543,4.736035996,0.002121826,8.01E-26,6.46E-70,1.09E-135,3.71E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.087338837,1.931449423,1.150677391,3.277975825,0.20650241,1.201185038,1.204503312,1.398591167,0.210337995,0.787019826,3.80E-04,1.43E-26,1.16E-70,1.94E-136,6.64E-224,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.10264887,2.020594795,3.638458576,8.688641601,0.623574108,5.85613639,3.447534937,5.579546798,0.943128605,6.622577844,0.003473116,1.31E-25,1.06E-69,1.78E-135,6.08E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.785435159,2.139262843,1.404745885,5.998079591,0.284864483,3.744812845,3.165355835,2.995235301,1.107762253,3.861272107,6.56E-04,2.48E-26,2.00E-70,3.36E-136,1.15E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.379178494,2.06323329,0.104531586,0.609196501,0.3719586,0.585067937,0.480559832,0.125019676,5.546943371,7.540937501,13.8166786,0.471732652,1.190647445,2.674355254,1.162641415,0.015592574,0.694170877,0.301781826,0.374702441,0.151838015,0.002781681,3.852589243,3.16914483,7.070216314,0.541256316,0.529322137,2.648365021,1.463106913,0.045852778,0.637035884,0.351934721,0.359574248,0.242881472,0.024055389,4.157324712,4.063363581,8.398360524,0.483455907,0.62651111,3.418203295,2.027124607,0.099402594,0.616477807,0.365594795,0.600244038,0.469343689,0.113051563,5.544730497,7.470403732,13.70390713,0.473108902,1.182639291,2.743199405,1.603949031,0.062561035,0.622081664,0.363731226,0.38584355,0.283151906,0.04478087,4.409709471,4.671914132,9.356889155,0.478719334,0.713776326,3.517119232,2.15642187,0.113023341,0.607807839,0.372660132,0.63409037,0.527166866,0.146156853,5.786564443,8.225635401,14.86941326,0.470701957,1.307414089,3.403538408,2.029358734,0.099609303,0.615189235,0.366806393,0.594700437,0.469734576,0.113522331,5.532506445,7.448167495,13.66867544,0.472993442,1.177957344 +UMLKV0188,L,P-CRESOL,CC1=CC=C(C=C1)O,C7H8O,Alcohol,Alcohols,106-44-5,2.805348053,PubChem,,6.8174,0,1.2867,1.65559689,36.8433,18.456344,6,6,16,8,8,0,7,0,1,0,0,0,0,0,0,0,1273.94536,1302.889444,1686.774194,1357.862279,548.341966,250.752981,60.488064,3.048192,0,3429.679045,4152.51776,5463.684848,5014.497358,2807.423739,1072.513412,360.7775082,93.25123329,0,119.88304,122.112088,185.958872,218.266988,203.348224,105.689052,35.531136,20.155392,0,23.72240724,29.19121816,39.68625043,38.62573936,25.23352536,10.23964629,2.717848268,1.333838715,0,2552.352995,2297.945932,3713.265034,4437.068154,4643.398426,2615.01004,708.6753778,554.7529561,0,69.55555556,54.66666667,77.66666667,91.44444444,63.33333333,28.66666667,20,3,0,79.621585,81.43059025,67.47096776,46.82283721,19.58364164,16.7168654,15.122016,1.016064,0,214.3549403,259.53236,218.5473939,172.913702,100.2651335,71.50089412,90.19437706,31.08374443,0,7.49269,7.6320055,7.43835488,7.526447862,7.262436571,7.0459368,8.882784,6.718464,0,1.482650452,1.824451135,1.587450017,1.331922047,0.901197334,0.682643086,0.679462067,0.444612905,0,159.5220622,143.6216207,148.5306014,153.0023501,165.8356581,174.3340026,177.1688445,184.917652,0,4.347222222,3.416666667,3.106666667,3.153256705,2.261904762,1.911111111,5,1,0,0.213529523,-0.112129215,0.03213811,-0.032294257,-0.029266484,0.055361791,-0.038777836,0.018203131,0,543.054135,-22.933991,54.51410306,-348.8184082,-122.3085203,258.4258519,-189.6194797,99.21337669,0,844.7408722,41.8791648,5.80366458,-596.2900373,-227.8187161,300.2699686,-98.95165849,152.7371779,0,1.007631,-0.121445,0.062040562,-0.221636187,-0.08812725,0.186853937,-0.37516875,0.053667187,0,3.861248463,0.388302838,-0.258811184,-2.598554072,-1.065285535,0.83309178,0.170256479,0.600375462,0,21.56644259,2.408941763,-1.886200946,-14.07129093,-5.901208396,3.68807847,1.846771741,3.131686999,0,22.86111111,-4.555555556,3.710069444,-5.005208333,-4.145833333,6.387152778,-9.326388889,1.505208333,0,0.013345595,-0.007008076,0.001285524,-0.001113595,-0.001045232,0.003690786,-0.009694459,0.00606771,0,33.94088344,-1.433374437,2.180564123,-12.02822097,-4.368161438,17.22839013,-47.40486994,33.07112556,0,52.79630451,2.6174478,0.232146583,-20.56172543,-8.136382719,20.01799791,-24.73791462,50.91239262,0,0.062976937,-0.007590312,0.002481623,-0.007642627,-0.003147402,0.012456929,-0.093792187,0.017889062,0,0.241328029,0.024268927,-0.010352447,-0.089605313,-0.038045912,0.055539452,0.04256412,0.200125154,0,1.347902662,0.15055886,-0.075448038,-0.485216929,-0.210757443,0.245871898,0.461692935,1.043895666,0,1.428819444,-0.284722222,0.148402778,-0.172593391,-0.148065476,0.425810185,-2.331597222,0.501736111,0,-0.525122773,0.096325744,-0.083442892,-0.078320342,0.276554622,-0.726416386,0.454660146,0,-0.042231501,0.064245945,-0.354387386,-0.128699108,0.507599932,-1.396689336,0.97437433,0,0.049576345,0.004397023,-0.389453876,-0.154108944,0.379155285,-0.468553904,0.964317353,0,-0.120525272,0.039405258,-0.121355967,-0.049977054,0.197801444,-1.489310075,0.284057358,0,0.100564064,-0.042897824,-0.371300894,-0.157652272,0.230140909,0.176374539,0.829266102,0,0.111698615,-0.055974396,-0.359979205,-0.156359542,0.182410722,0.342526911,0.774459236,0,-0.19927096,0.103863913,-0.120794402,-0.103627842,0.298015391,-1.631834751,0.351154313,0,1.327502679,0.509780689,0.998314256,0.954296927,0.555287735,4.553442812,1.266975086,0,0.939216005,0.820139449,1.266999143,1.065545127,0.460514107,2.745776851,0,0,0.939889463,0.983885024,1.312813926,1.063236127,0.553399486,1.05535883,0,0,0.985442588,0.575663115,1.111732918,0.907053985,0.456182869,6.340207874,0,0,0.948933074,1.055405231,1.316733782,1.032229462,0.618856982,0.515345179,0,0,0.952603176,1.067226392,1.313381053,1.019646253,0.635863697,0.475397075,0,0,1.05255164,0.52490887,1.106129803,0.971185558,0.388821385,6.233292831,0,0,22.79642607,11.52321303,16.94261412,22.98392607,2.872990758,11.52325497,0.25,0.071392593,0.008924074,-2.111648918,34.45930902,4.307413627,2.831823343,22.79992778,11.52459668,16.94452877,22.98687697,2.873359621,11.52463855,0.249265579,0.071196543,0.008899568,-2.11384881,34.46051014,4.307563767,2.831851228,25.96036633,12.78068592,18.89408784,25.86061771,3.232577214,12.78069718,-0.398994478,0.128835434,0.016104429,-1.639375516,42.01068406,5.251335508,2.990339175,22.80360309,11.52604895,16.94653882,22.98997419,2.873746774,11.52609075,0.2484948,0.070990699,0.008873837,-2.116165124,34.46178034,4.307722542,2.831880715,29.3954622,14.15658397,21.57045035,29.12488863,3.640611079,14.15658677,-1.082294264,0.335737716,0.041967214,-0.873140026,82.02745192,10.25343149,3.525643177,23.16407063,11.66860241,17.14619717,23.29392127,2.911740158,11.66863824,0.173134186,0.050429496,0.006303687,-2.389743226,34.6363843,4.329548038,2.835923759,21.9305076,11.23509507,16.54862444,22.31145998,2.788932497,11.23515612,0.634920635,0.187222227,0.023402778,-1.34036719,39.74837624,4.96854703,2.946055193,0,11.85,15.99491639,-0.360418176,0.106468983,4.67277782,7.559696939,8,16,13,10,2,3,0,0,0,6,8.745656,3.792256006,2.97169487,2.619181914,2.240989301,1.659676848,0.941428501,0.34308341,0.269458054,1.95397808,1.394344629,1.082250302,0.812204088,0.448910436,0.310513972,0.083923071,0.083923071,3.787827013,2.941138399,2.645815032,2.196169606,1.49178475,1.053336623,0.462614502,0.41542298,1.935522871,1.336447214,1.007167592,0.823613871,0.400918582,0.150156259,0.270913902,0.270913902,3.84938098,3.10616993,2.771820215,2.51568862,1.973373713,1.517793787,0.956873431,0.95514055,1.844955738,1.090298335,0.798620231,0.453775319,0.138738656,0.396843083,0.943918427,0.943918427,3.791793662,2.94789548,2.665925019,2.213184877,1.458078437,1.134811365,0.551162753,0.517542344,1.92447437,1.305079488,0.960278991,0.821122567,0.351632626,0.041902902,0.399277246,0.399277246,3.870425234,3.16001887,2.838078588,2.590622941,2.077082741,1.721464227,1.207644823,1.207644823,1.824520853,1.034823415,0.738564276,0.373203902,0.248985856,0.594311107,1.159087983,1.16628991,4.073240206,3.534500129,2.763637226,2.728556664,2.036739737,1.234566435,0.610080321,0.596830181,1.88003575,1.189587255,0.884311307,0.542335971,0.071188207,0.146931178,0.525,0.525,0,0,0,5,1,1,0,0,0,0,0,0,0.083333333,0.166666667,0,0,0,0.027777778,0.040200378,0.577350269,0,0,0,0.241202266,0,0,0,0.816496581,0.760079655,1.138071187,0.278516386,0.219658948,0.246867807,5.983127663,3.7876937,3.365043969,2.304530453,1.426746322,1.304737854,0.333333333,0,0.747890958,0.473461713,0.336504397,0.230453045,0.142674632,0.108728155,0.083333333,0,4.756614672,2.544974003,1.835549159,1.033971378,0.544763467,0.380460459,0.080400755,0,0.594576834,0.31812175,0.183554916,0.103397138,0.054476347,0.031705038,0.020100189,0,9.88211032,15.8820102,15.25098039,15.44,10.67445749,120.4956251,0.617631895,0.992625637,0.953186275,0.965,0.667153593,7.530976572,1.42022,31.7468,30.70152702,40.30404889,61.40305404,7.675381755,30.70152702,0.094421893,0.011802737,-1.887985849,23.37145629,2.921432036,2.521212369,58,1,0,1,6,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,4,0,0,0,0,0,0,0,0,1,0,0,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.694305556,0,8.756666667,8.591111111,0,0,0,0,0,0,0,0,0,0.694305556,0,0,0,0,0,0,0,0,0,0,0,1.973611111,0,0,0,0,1.973611111,0,0,0,0,0,0,0,0,1.985555556,0,0,0,0,7.092592593,0,0,0,0,1.498518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.756666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.694305556,0,8.756666667,0.329259259,0,0,0,0,0,0,0,0,0,0.694305556,0,0,0,0,0,0,0,0,0,0,0,0.469097222,0,0,0,0,0.469097222,0,0,0,0,0,0,0,0,1.985555556,0,0,0,0,1.675925926,0,0,0,0,0.329259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.756666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.694305556,0,8.756666667,1.87037037,0,0,0,0,0,0,0,0,0,0.694305556,0,0,0,0,0,0,0,0,0,0,0,0.517708333,0,0,0,0,0.517708333,0,0,0,0,0,0,0,0,1.985555556,0,0,0,0,1.87037037,0,0,0,0,1.169259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.756666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.33333333,2.416666667,0.694305556,8.756666667,0.2175,0.329259259,3.278148889,1.337407407,2.756666667,5.513333333,1.337407407,2.756666667,5.513333333,3.83333,0.47917,0,0.02083,0.54792,0.79583,0.43333,0.4803,0.74074,0.11458,0.06761,-0.04697,0.05509,0.60209,0.1122,0,0.21739,0.26087,0,10.75,1.34375,4.25,0.53125,6.5,0.8125,2.25,0.28125,0.5,0.0625,3.40893,0.42612,8.39431,4.98538,0.62317,1.50662,0.18833,3.78768,2.28106,0.28513,0.12632,0.01579,0.21232,0.02654,0.375,8.01,0,1,1,1,1,1,0.142857143,1.271782222,2.702819531,2.952819531,3.327819531,3.452819531,3.202819531,20.34851555,43.2451125,47.2451125,53.2451125,55.2451125,51.2451125,0.317945555,0.675704883,0.738204883,0.831954883,0.863204883,0.800704883,2.728217778,1.297180469,1.047180469,0.672180469,0.547180469,0.797180469,0.299388871,0.636267809,0.695120037,0.78339838,0.812824494,0.753972266,10.76402783,20.21096029,23.21096029,24.96291655,23.7148728,23.46291655,27.91485331,22.10845859,19.10845859,17.10845859,18.10845859,18.60845859,6.125,2.52,1.8,0,7,0,2.12,0.916,0,1.632993162,1,0,3.301927249,5.656854249,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.546,0.429,0.423,0.851,0.837,4.247,10,10,10,12,4,0,0,0,0,62,2.48490665,3.020424886,3.409496184,3.803880847,4.298135385,3.446011397,0,0,0,0,5.373250891,3.460685484,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,5,0.666666667,2,0.888888889,0.25,0.302222222,0,0,0,0,0,0,0.25,0.088888889,0.035714286,0.151111111,0,0,0,0,0,0,0.525714286,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,20.23,107.252743,4,3.610917913,4.343805422,5.129898715,5.888877958,6.670766321,7.438971592,8.217438538,8.989319566,9.765890765,76.05588679,2.833213344,0,4.043051268,0,5.451038454,0,6.940222469,0,8.463159303,8.712924435,108.0575149,6.75359468,15.53282921,1.941603651,2.495163216,2.495163216,0,62,7,1.338,36,1.228456484,2.175535199,3.036789661,3.819370566,4.894192832,5.976474907,6.408154638,0,0,0,109.5386402,158.0084372,150.3474353,80.32023775,89.11651506,90.38091921,6.511095234,0,0,0,339.866218,500.7170865,539.433481,403.8003544,355.2419148,539.0072301,199.189441,0,0,0,9.386990557,16.26728009,22.91263338,27.95343193,34.59535496,53.09041131,43.05295624,0,0,0,2.355576711,3.588068145,4.114821461,3.574193785,3.329057649,4.060130011,2.849148248,0,0,0,174.2981019,320.1887265,462.088924,628.0858794,854.2570825,1058.881603,1184.980909,0,0,0,4.28649463,7.06007764,9.881704594,9.101699058,9.771371726,29.88692194,6.408154638,0,0,0,0.506219935,0.781594299,0.930457333,0.828288777,0.809730871,1.276535023,0.656195035,0,0,0,231.5864949,145.3010943,17.94800273,106.7700043,-66.98921916,-15.40655325,124.8164906,212.2903134,33.35455597,0.684445239,0.429431959,0.053044652,0.315554761,-0.197984136,-0.045533493,78.35879568,49.16356959,6.07282337,36.12632487,-22.66623768,-5.212907421,0.347115717,0.574418144,13.46113036,19.56509677,265.5158265,72.84067274,0.784722111,0.215277889,645.2132559,25.40104832,8.641074719,730.8068454,27.03343939,9.007429443,1057.405362,32.51776995,10.18780216,1.781309778,1.781309778,410.5836191,324.9255422,89.03010461,1.26362371,4.611739151,3.649614292,3.642611071,3.785389562,6.473031873,0.710004153,3.203654718,1.994990162,3.316458341,6.194293832,0.106004275,5.367835649,3.148455018,6.108863291,0.830388136,1.255702419,3.712110892,1.846911527,1.44E-12,2.26E-46,7.06E-102,4.39E-179,5.38E-278,0,0,0,0,0,0,0,0,0,0,0,0,0,0.294738072,2.035486396,0.266284898,2.68597992,0.00935371,2.025982471,1.396888909,0.454995084,0.005850081,1.203678206,0.389180135,0.013007949,1.01E-14,1.59E-48,4.97E-104,3.09E-181,3.79E-280,0,0,0,0,0,0,0,0,0,0,0,0,0,0.796564637,1.960095644,0.866863861,2.953511118,0.029081503,1.542500615,1.2704945,1.264219191,0.060949875,0.670561831,0.790215031,0.135552857,1.06E-13,1.66E-47,5.18E-103,3.22E-180,3.95E-279,0,0,0,0,0,0,0,0,0,0,0,0,0,3.312579964,2.035374177,3.121942192,6.23541573,0.10008866,5.44399311,3.314269401,6.203750804,0.739861974,1.515299743,4.373957946,1.645564919,1.28E-12,2.01E-46,6.29E-102,3.91E-179,4.79E-278,0,0,0,0,0,0,0,0,0,0,0,0,0,1.087338837,1.931449423,1.285682889,3.207781734,0.042623829,1.592414724,1.350305236,1.779373473,0.132387362,0.489490723,0.903583154,0.294438918,2.29E-13,3.60E-47,1.13E-102,7.00E-180,8.58E-279,0,0,0,0,0,0,0,0,0,0,0,0,0,4.10264887,2.020594795,4.045524842,7.646954338,0.127913305,7.219790988,3.796541616,8.125593608,1.211037871,1.606764937,5.187868367,2.693546886,2.10E-12,3.29E-46,1.03E-101,6.40E-179,7.85E-278,0,0,0,0,0,0,0,0,0,0,0,0,0,2.785442471,2.073966959,1.622449613,5.707050549,0.058662434,5.939484074,3.689614062,4.677821484,0.228879565,3.080160706,5.119479647,0.50905499,3.96E-13,6.22E-47,1.95E-102,1.21E-179,1.48E-278,0,0,0,0,0,0,0,0,0,0,0,0,0,4.002765195,1.607953037,0.104533454,0.700365516,0.281344222,0.523981256,0.445102061,0.125021233,5.715251685,7.022766205,13.41082222,0.550548274,1.09410455,3.1828115,0.810651622,0.01559377,0.793905296,0.202205068,0.336267783,0.114364914,0.002782034,4.009056892,2.642424449,6.691715625,0.690857945,0.45341473,3.090654928,1.120064052,0.04585404,0.726089959,0.263137516,0.313748649,0.217615016,0.024056296,4.25657302,3.65480996,8.070117355,0.589134938,0.55541996,4.082223095,1.552253061,0.099404433,0.7119477,0.270715973,0.545438486,0.415931847,0.113052889,5.733880588,6.8967352,13.26050622,0.567921549,1.074423223,3.157274578,1.276487129,0.062562403,0.702190167,0.283895711,0.326347072,0.28142791,0.044782116,4.496324109,4.307607146,9.056071525,0.553285251,0.652557097,4.186634336,1.673889564,0.113025306,0.700862116,0.280216921,0.573184966,0.482182193,0.146158335,5.973549206,7.670351031,14.43597746,0.551293174,1.201525494,4.058134271,1.558392333,0.099611142,0.709943401,0.272630297,0.538944965,0.419078822,0.113523704,5.716137746,6.883633964,13.22972904,0.564915101,1.071547491 +UMLKV0189,L,N-PROPIONALDEHYDE,CCC=O,C3H6O,Aldehyde,,123-38-6,2.063225818,PubChem,,0.3606,0,-0.1063,0.01129969,16.7418,10.082758,0,0,10,4,6,0,3,0,1,0,0,0,0,0,0,0,694.856748,553.334759,453.476062,280.974837,51.429168,0,0,0,0,1673.443949,1838.183004,1850.487943,1174.373184,339.2921252,0,0,0,0,76.284048,67.820708,110.86048,111.19446,48.568896,0,0,0,0,11.67758143,13.59840586,15.34981409,10.41995645,2.938142673,0,0,0,0,1675.340266,1325.667327,2429.972951,2615.543289,1110.305786,0,0,0,0,65.25,31,39.5,44,24,0,0,0,0,69.4856748,61.48163989,30.23173747,18.7316558,8.571528,0,0,0,0,167.3443949,204.242556,123.3658629,78.29154562,56.54868753,0,0,0,0,7.6284048,7.535634222,7.390698667,7.412964,8.094816,0,0,0,0,1.167758143,1.510933984,1.023320939,0.694663763,0.489690445,0,0,0,0,167.5340266,147.2963697,161.9981967,174.3695526,185.0509644,0,0,0,0,6.525,3.444444444,2.633333333,2.933333333,4,0,0,0,0,0.124167058,-0.027881614,-0.031556216,0.011349932,-0.013995631,0,0,0,0,357.528108,-38.477209,-93.260018,30.603573,-77.6304,0,0,0,0,465.6323026,-91.95808526,-190.6308059,22.24529872,27.52744109,0,0,0,0,0.9667344,-2.56E-06,-0.0462128,-0.09096,-0.34619184,0,0,0,0,2.048559472,-0.474341024,-0.929888995,-0.085885478,0.465835761,0,0,0,0,11.50836902,-2.685209217,-5.20275507,-0.843016553,2.976796331,0,0,0,0,31.025,0.7525,-2.5875,-2.7125,-10.965,0,0,0,0,0.012416706,-0.003097957,-0.002103748,7.57E-04,-0.002332605,0,0,0,0,35.7528108,-4.275245444,-6.217334533,2.0402382,-12.9384,0,0,0,0,46.56323026,-10.21756503,-12.70872039,1.483019915,4.587906848,0,0,0,0,0.09667344,-2.84E-07,-0.003080853,-0.006064,-0.05769864,0,0,0,0,0.204855947,-0.052704558,-0.0619926,-0.005725699,0.077639294,0,0,0,0,1.150836902,-0.29835658,-0.346850338,-0.056201104,0.496132722,0,0,0,0,3.1025,0.083611111,-0.1725,-0.180833333,-1.8275,0,0,0,0,-0.249499111,-0.169428815,0.060939038,-0.187860223,0,0,0,0,-0.119577883,-0.173897783,0.057065113,-0.361884834,0,0,0,0,-0.219434197,-0.272934681,0.031849593,0.098530682,0,0,0,0,-2.94E-06,-0.031868664,-0.062726639,-0.596840663,0,0,0,0,-0.257276193,-0.302615572,-0.027949877,0.378994579,0,0,0,0,-0.259251836,-0.301389656,-0.048834986,0.431106025,0,0,0,0,0.026949593,-0.055600322,-0.058286328,-0.589041096,0,0,0,0,0.88107819,0.8048297,0.847958583,2.046412008,0,0,0,0,1.038100476,1.014601876,0.796828267,1.41427393,0,0,0,0,1.487453885,1.236328686,0.70990748,0.403228759,0,0,0,0,0.50001324,0.664723217,0.985280756,2.624970209,0,0,0,0,1.657742868,1.2920932,0.705229661,0.020078548,0,0,0,0,1.666633262,1.285012783,0.714977195,7.52E-05,0,0,0,0,0.483481064,0.688960516,0.976631749,2.610797744,0,0,0,0,8.254326301,4.25216315,7.182754066,8.379326301,2.094831575,4.283986303,0.25,0.13346656,0.03336664,-0.805561729,8.462872281,2.11571807,0.854275452,8.255772315,4.252518947,7.183476665,8.380405104,2.095101276,4.284323559,0.249265579,0.13342066,0.033355165,-0.805699315,8.462193361,2.11554834,0.854243361,9.534350759,4.56767814,7.913736861,9.33485352,2.33371338,4.587726755,-0.398994478,0.091296806,0.022824202,-0.957455788,8.423217818,2.105804455,0.852396768,8.257289921,4.252892361,7.184235269,8.381537322,2.09538433,4.284677532,0.2484948,0.133372479,0.03334312,-0.80584379,8.461482224,2.115370556,0.854209745,10.88552942,4.901617576,8.888292043,10.34438228,2.586095571,4.914931808,-1.082294264,0.052382282,0.01309557,-1.17967475,9.960853855,2.490213464,0.919465119,8.405704476,4.289419331,7.259576114,8.492271569,2.123067892,4.319385001,0.173134186,0.128619858,0.032154965,-0.820357623,8.398917911,2.099729478,0.851241151,8.754145468,4.442749217,7.452015947,8.754145468,2.188536367,4.474300535,0.682539683,0.165206359,0.04130159,-0.72022397,8.766726222,2.191681556,0.868385378,0,11.98884397,16.00592387,-0.38950815,0.206081841,3.127757033,5.27600348,3,9,8,8,2,1,1,0,0,1,7.517242,3.366739417,2.599822503,1.565061699,0.495713671,0.083923071,0.083923071,0.083923071,0.601249521,1.730295498,1.111994085,0.601249521,0.083923071,0.083923071,0.083923071,0.495713671,1.565061699,3.314811914,2.515966189,1.582901995,0.412467022,0.270913902,0.270913902,0.270913902,0.511940822,1.691828031,1.094837458,0.511940822,0.270913902,0.270913902,0.270913902,0.412467022,1.582901995,3.496453156,2.817531876,2.011991718,1.06023425,0.943918427,0.943918427,0.943918427,0.018825137,1.464506745,0.740461057,0.018825137,0.943918427,0.943918427,0.943918427,1.06023425,2.011991718,3.317652678,2.510011467,1.62554854,0.424103116,0.399277246,0.399277246,0.399277246,0.444772836,1.672154441,1.082317266,0.444772836,0.399277246,0.399277246,0.399277246,0.424103116,1.62554854,3.540571009,2.879757341,2.160611152,1.208173581,1.207644823,1.207644823,1.207644823,0.12886128,1.413884609,0.671769212,0.12886128,1.207644823,1.207644823,1.207644823,1.208173581,2.160611152,4.602394049,3.075195553,2.000137468,1.229152396,0.545454545,0.545454545,0.545454545,0.175134718,1.546418187,0.730781106,0.175134718,0.545454545,0.545454545,0.545454545,1.229152396,2.000137468,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,2.692705341,1.351057332,0.574914957,0.166666667,0,0,0,0,0.673176335,0.450352444,0.287457479,0.166666667,0,0,0,0,5.340282516,9.994173343,9.525490196,9.68,5.875902994,77.23928623,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,0.5953,16.355,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,2,1,0,1,0,0,0,0,0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.173611111,0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.609722222,0,0,0.707291667,0.401388889,0,0.609722222,0,0,0,0,0,0,0,0,1.8125,0,0.638888889,0,0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.173611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.173611111,0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.609722222,0,0,0.305902778,0.401388889,0,0.609722222,0,0,0,0,0,0,0,0,1.8125,0,0.638888889,0,0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.173611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.173611111,0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.609722222,0,0,0.401388889,0.401388889,0,0.609722222,0,0,0,0,0,0,0,0,1.8125,0,0.638888889,0,0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.173611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.5,3.125,0.782986111,9.173611111,0.305902778,0.638888889,1.335944444,1.125,2.173611111,4.347222222,1.125,2.173611111,4.347222222,1.83333,0.45833,0,0.04167,0.53667,0.89167,0.41429,0.53667,0.89167,0.12238,0,-0.12238,0,0.51402,0.20027,0,0.45454,0,0,3.25,0.8125,1.75,0.4375,1.5,0.375,-0.25,-0.0625,0,0,1.65033,0.41258,2.95465,1.30432,0.32608,1.17274,0.29319,1.91421,0.74147,0.18537,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3.01,1,1,1,1,0,0,0.666666667,1.295461844,2.160964047,2.646439345,2.314246535,1.185475297,0,12.95461844,21.60964047,26.46439345,23.14246535,11.85475297,0,0.389972873,0.650514998,0.796657624,0.696657624,0.356863624,0,2.026466251,1.160964047,0.67548875,1.00768156,2.136452798,3.321928095,0.389972873,0.650514998,0.796657624,0.696657624,0.356863624,0,12.01211119,18.11104151,18.60031567,14.61400195,6.173355076,0,14.69023282,11.46920586,11.46124613,9.468089272,4.55300432,0,4,3,4,4,1,3,1.68,0.547,0,1.414213562,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.423,0.415,0.622,0.171,1.914,2,1,0,0,0,0,0,0,0,10,1.609437912,1.386294361,1.098612289,0,0,0,0,0,0,0,2.63905733,1.3,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.333333333,2,0.666666667,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,17.07,66.59818058,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,58.04186481,5.804186481,6.871320344,1.717830086,2.310660172,2.310660172,0,10,1,0.587,10,1.213111111,2.10119808,2.833417396,3.465232183,0,0,0,0,0,0,83.37711636,70.80151943,62.67069085,34.0499888,0,0,0,0,0,0,268.4457343,276.3606176,235.0185245,210.6076695,0,0,0,0,0,0,9.168369209,15.60564947,21.13821737,28.8424136,0,0,0,0,0,0,1.945568491,2.247010475,2.012279943,1.722830141,0,0,0,0,0,0,176.9146224,337.2007007,492.4731514,641.3212694,0,0,0,0,0,0,4.250111111,5.764892713,8.899791717,15.58722408,0,0,0,0,0,0,0.432006667,0.523482106,0.522021428,0.561721771,0,0,0,0,0,0,215.5872798,77.95557471,9.108491097,95.19678603,-34.4228109,-18.39769243,120.3904938,112.3783856,27.50618352,0.693688331,0.250835172,0.029308102,0.306311669,-0.110761183,-0.05919767,67.00109136,24.22735046,2.830773897,29.58564422,-10.69806113,-5.717709654,0.330238011,0.837542479,5.109685733,43.93586087,258.3259971,52.45806869,0.831207341,0.168792659,256.8936029,16.02790076,6.356983681,315.0158194,17.748685,6.804206015,329.3925178,18.14917403,6.906180263,1.54928208,1.228196943,126.4616644,116.402899,16.75884705,1.086413359,7.545964473,6.94575818,2.605815668,2.386462198,4.27524874,0.791458814,1.686618357,1.940709795,2.748136945,1.7942437,3.510104423,1.091851944,0.001025173,0.012801848,3.08E-23,1.43E-65,1.28E-129,2.22E-215,6.9E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.158039956,1.940672413,0.165962161,1.206539929,0.029659567,0.53264093,1.15E-04,0.001431093,3.45E-24,1.60E-66,1.44E-130,2.48E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.462794319,1.94055723,0.432875051,1.173651871,0.270012785,0.375989858,1.99E-04,0.002479065,5.97E-24,2.77E-66,2.49E-130,4.30E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.597140986,1.940764077,2.835783797,1.845767468,3.131419639,1.34513687,0.001287666,0.016079597,3.87E-23,1.80E-65,1.61E-129,2.79E-215,8.9E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.674498251,1.940519779,0.607713751,1.202986989,0.574410676,0.305372724,1.97E-04,0.002454738,5.91E-24,2.75E-66,2.46E-130,4.26E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.036858937,1.940798517,3.865674204,2.009035461,5.103732853,1.506746785,0.001497239,0.018697213,4.50E-23,2.09E-65,1.88E-129,3.24E-215,1.0E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.967809895,1.732790879,2.688925571,2.235168979,1.066168535,2.744575836,0.00213536,0.026661701,6.42E-23,2.98E-65,2.67E-129,4.62E-215,1.5E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.706147204,0.743043493,0.332403015,0.613370384,0.267128693,0.478100618,0.455857661,0.399984569,2.781593712,2.081859951,5.284854786,0.420055576,1.333942848,2.432419844,0.231755946,0.057689779,0.893659067,0.085145993,0.973253009,0.044078909,0.012047893,2.721865569,0.717423475,3.471810373,0.8404886,1.029379811,1.782328296,0.45079191,0.168628902,0.742095954,0.187693173,0.52195365,0.167388185,0.102938386,2.401749108,1.180027786,3.717263333,0.613143931,0.792280221,1.862435696,0.705090635,0.313944256,0.646349022,0.244698189,0.569884041,0.409652578,0.356794713,2.881470586,2.11924611,5.412983887,0.469523533,1.336331331,1.552817637,0.559817111,0.2258733,0.664020651,0.239390714,0.396004338,0.25893057,0.184689891,2.338508049,1.346481667,3.881339995,0.496030977,0.839624798,1.744595866,0.77362454,0.350428498,0.608159424,0.269682546,0.499908546,0.494010591,0.444541348,2.868648903,2.232118366,5.573727357,0.412239137,1.438460484,1.875087231,0.702682711,0.313160616,0.648610264,0.243064542,0.577654351,0.406854012,0.355015737,2.890930558,2.124847401,5.428395686,0.472915395,1.3395241 +UMLKV0190,L,N-BUTYRALDEHYDE,CCCC=O,C4H8O,Aldehyde,,123-72-8,2.287458636,PubChem,,0.4738,0,-0.3943,0.15547249,19.6534,13.176344,0,0,13,5,8,0,4,0,1,0,0,0,0,0,0,0,841.152997,721.813056,647.184599,477.731566,280.974837,51.429168,0,0,0,2159.128339,2491.173138,2764.035055,2181.171529,1174.373184,339.2921252,0,0,0,97.261492,89.596488,153.589988,174.07936,111.19446,48.568896,0,0,0,15.35570724,18.61439448,23.03750423,19.44148531,10.41995645,2.938142673,0,0,0,2171.969926,1758.706778,3354.17515,4094.498444,2615.543289,1110.305786,0,0,0,69.5,36.25,48.5,54.5,44,24,0,0,0,64.70407669,60.151088,30.81831424,19.90548192,18.7316558,8.571528,0,0,0,166.0867953,207.5977615,131.6207169,90.88214705,78.29154562,56.54868753,0,0,0,7.481653231,7.466374,7.313808952,7.253306667,7.412964,8.094816,0,0,0,1.181208249,1.55119954,1.097024011,0.810061888,0.694663763,0.489690445,0,0,0,167.0746097,146.5588982,159.7226262,170.6041018,174.3695526,185.0509644,0,0,0,5.346153846,3.020833333,2.30952381,2.270833333,2.933333333,4,0,0,0,0.12886588,-0.027363391,-0.036560125,-0.002031239,0.015272333,-0.013750518,0,0,0,441.1976548,-41.78727394,-145.3737315,26.9552955,20.1271245,-80.52024197,0,0,0,616.1115392,-93.79664945,-272.4806931,17.56672315,16.65681334,23.99803644,0,0,0,1.006116923,-6.21E-04,-0.051224876,-0.042770935,-0.097167527,-0.311273964,0,0,0,2.72042466,-0.468030278,-1.24149596,-0.065009217,-0.067122288,0.481445413,0,0,0,15.16770937,-2.625121323,-6.796471683,-0.631475939,-0.665472604,3.134686867,0,0,0,32.26923077,1.232248521,-2.204142012,-2.843195266,-2.733727811,-9.585798817,0,0,0,0.00991276,-0.002280283,-0.001740958,-8.46E-05,0.001018156,-0.002291753,0,0,0,33.93828114,-3.482272828,-6.922558642,1.123137313,1.3418083,-13.42004033,0,0,0,47.39319532,-7.816387454,-12.9752711,0.731946798,1.110454223,3.99967274,0,0,0,0.077393609,-5.18E-05,-0.00243928,-0.001782122,-0.006477835,-0.051878994,0,0,0,0.209263435,-0.039002523,-0.059118855,-0.002708717,-0.004474819,0.080240902,0,0,0,1.166746874,-0.21876011,-0.323641509,-0.026311497,-0.04436484,0.522447811,0,0,0,2.482248521,0.102687377,-0.104959143,-0.118466469,-0.182248521,-1.597633136,0,0,0,-0.230035083,-0.175628014,-0.008537981,0.10271161,-0.23119222,0,0,0,-0.102606046,-0.203974934,0.033093524,0.039536719,-0.395424868,0,0,0,-0.164926366,-0.2737792,0.015444133,0.023430668,0.084393397,0,0,0,-6.69E-04,-0.031517845,-0.023026737,-0.083699871,-0.670326587,0,0,0,-0.18638002,-0.282509245,-0.012944055,-0.021383665,0.383444447,0,0,0,-0.187495776,-0.277387937,-0.022551162,-0.038024392,0.447781625,0,0,0,0.041368693,-0.042283898,-0.047725467,-0.073420739,-0.643623361,0,0,0,0.901211815,0.808347309,0.770555293,1.064747066,2.624271952,0,0,0,1.115636275,1.096642491,0.8125,0.860955023,1.528091176,0,0,0,1.489558193,1.307474246,0.8125,0.715359333,0.406325421,0,0,0,0.504012991,0.635228641,0.8125,1.262285099,3.362961026,0,0,0,1.618280118,1.349452799,0.8125,0.708078129,0.020159646,0,0,0,1.624974654,1.340485332,0.8125,0.723310396,7.60E-05,0,0,0,0.472586412,0.644134173,0.830899881,1.251966627,3.346841478,0,0,0,14.286287,7.2681435,12.07359723,14.436287,2.8872574,7.269948304,0.25,0.110733961,0.022146792,-1.100312353,15.1768519,3.03537038,1.359885683,14.28790616,7.26858587,12.07439068,14.43746551,2.887493102,7.2703895,0.249265579,0.110688802,0.02213776,-1.100516301,15.18094005,3.03618801,1.360020349,15.71815621,7.659580866,12.83547757,15.47875952,3.095751905,7.660648632,-0.398994478,0.068330999,0.0136662,-1.341695878,23.99541276,4.799082552,1.588931339,14.28960548,7.269050141,12.07522356,14.43870236,2.887740472,7.270852539,0.2484948,0.110641399,0.02212828,-1.100730472,15.1852365,3.0370473,1.360161837,17.22766961,8.072687673,13.78482179,16.57829305,3.31565861,8.073347242,-1.082294264,0.021590711,0.004318142,-1.917746053,23.12054367,4.624108735,1.570360779,14.45576686,7.314450524,12.15742456,14.55964737,2.911929475,7.316137843,0.173134186,0.105967319,0.021193464,-1.122312274,15.63662227,3.127324453,1.374807872,15.79149659,7.90617114,13.28046271,15.92482992,3.184965985,7.907305581,0.666666667,0.151972843,0.030394569,-0.942026718,11.40313259,2.280626517,1.216944053,0,11.98878797,16.00592415,-0.389461831,0.206313717,3.288229331,5.904765902,4,12,11,11,3,1,1,0,0,1,9.703656,3.424460978,2.885465255,2.063504084,1.332142787,0.495496452,0.083923071,0.083923071,0.083923071,1.801920698,1.34530875,0.833966128,0.552152723,0.083923071,0.083923071,0.083923071,0.083923071,3.397792168,2.81980573,2.038604701,1.404854513,0.412465668,0.270913902,0.270913902,0.270913902,1.754938435,1.314018074,0.77690394,0.429207619,0.270913902,0.270913902,0.270913902,0.270913902,3.558535241,3.067511397,2.388875988,1.86045646,1.06023362,0.943918427,0.943918427,0.943918427,1.546545139,1.013208562,0.359083471,0.089560954,0.943918427,0.943918427,0.943918427,0.943918427,3.407235712,2.818821363,2.05674666,1.470911287,0.424103116,0.399277246,0.399277246,0.399277246,1.728819134,1.296541345,0.734506888,0.340602267,0.399277246,0.399277246,0.399277246,0.399277246,3.607435489,3.123377273,2.494809368,2.039227318,1.208173581,1.207644823,1.207644823,1.207644823,1.494037178,0.951000612,0.252874302,0.264854428,1.207644823,1.207644823,1.207644823,1.207644823,4.752495101,3.26835056,2.498178656,1.708935387,1.262648301,0.571428571,0.571428571,0.571428571,1.650951935,1.01562766,0.423178307,0.115135818,0.571428571,0.571428571,0.571428571,0.571428571,0,0,1,0,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,3.399812122,1.851057332,0.955341801,0.406526265,0.11785113,0,0,0,0.679962424,0.462764333,0.318447267,0.203263132,0.11785113,0,0,0,6.88211032,12.8820102,12.25098039,12.44,7.674457485,100.2675413,0.529393102,0.990923861,0.942383107,0.956923077,0.590342883,7.712887794,0.9854,20.972,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,1,0,1,0,0,0,0,0,0,0,0,1,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.404861111,0.930555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.594097222,0,0,0.972916667,0.401388889,0,0.594097222,0,0,0,0,0,0,0,0,1.980555556,0,1.684027778,0,0.930555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.404861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.404861111,0.930555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.594097222,0,0,0.265625,0.401388889,0,0.594097222,0,0,0,0,0,0,0,0,1.980555556,0,0.708333333,0,0.930555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.404861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.404861111,0.930555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.594097222,0,0,0.401388889,0.401388889,0,0.594097222,0,0,0,0,0,0,0,0,1.980555556,0,0.975694444,0,0.930555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.404861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,2.8,0.732986111,9.404861111,0.265625,0.708333333,1.927856944,1.069444444,2.404861111,4.809722222,1.069444444,2.404861111,4.809722222,2.33333,0.46667,0,0.03333,0.51282,0.85333,0.41765,0.51282,0.85333,0.09517,0,-0.09517,0,0.54687,0.16742,0,0.35714,0,0,3.75,0.75,2.25,0.45,1.5,0.3,-0.75,-0.15,0,0,2.64222,0.52844,4.09272,1.45051,0.2901,1.67274,0.33455,2.41421,0.74147,0.14829,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4.01,1,1,1,1,0,0,0.75,1.238901257,2.188787068,2.87314068,3.026986833,2.457688415,1.057485468,16.10571634,28.45423188,37.35082883,39.35082883,31.9499494,13.74731109,0.334798389,0.591493778,0.776432235,0.818007335,0.664161181,0.285772921,2.461538462,1.51165265,0.827299039,0.673452885,1.242751303,2.64295425,0.334798389,0.591493778,0.776432235,0.818007335,0.664161181,0.285772921,11.26589917,18.98763324,17.9862381,19.83239194,13.00081093,5.331823524,18.28260559,12.75966659,14.08943077,12.51979411,9.104003599,4.026404032,5,4,4,5,1,4,1.79,0.6879,0,1.650963624,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.423,0.415,0.622,0.171,2.413,3,2,1,0,0,0,0,0,0,15,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,0,0,2.995732274,1.266666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.5,3,0.75,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,17.07,83.8941652,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,72.05751488,5.54288576,8.849873734,1.769974747,2.362436867,2.362436867,0,20,2,1.156,14,1.22225,2.118266204,2.850180845,3.537636739,4.907256486,0,0,0,0,0,83.08822345,72.7389998,68.02669744,85.5767881,44.6736643,0,0,0,0,0,276.3692965,297.5688301,280.8024603,317.8598759,286.2989562,0,0,0,0,0,9.153614798,15.55692744,20.77505492,26.69633542,40.19897088,0,0,0,0,0,2.01969673,2.433038618,2.414350253,2.660159399,2.418614276,0,0,0,0,0,177.1825165,335.0308773,483.6531092,608.3611173,908.1386145,0,0,0,0,0,3.751395833,5.061243825,6.809975673,11.93374162,20.66575033,0,0,0,0,0,0.439915625,0.548378874,0.572497756,0.691376882,0.771448026,0,0,0,0,0,231.068623,96.4274996,10.30373787,87.61766102,-36.56382188,-18.07752159,143.450962,132.9913215,28.38125946,0.725066106,0.302578129,0.032331915,0.274933894,-0.114732964,-0.056725132,73.63840081,30.73012152,3.283659932,27.92254681,-11.65238852,-5.76105818,0.286775314,0.725697507,7.774116716,38.06868969,266.2282153,52.45806869,0.835392763,0.164607237,318.975172,17.85987604,6.832594181,396.4714607,19.91159111,7.34633356,432.8803636,20.80577717,7.564657948,1.99856202,1.923322083,244.8030095,232.2772799,22.55504429,1.053925763,10.85358142,10.29824091,3.078161862,3.220194404,5.498947764,0.707644656,2.244419464,2.889227102,2.049849483,7.616421455,4.148151463,0.396552162,1.034074791,2.787775234,0.103319115,1.999778572,2.50E-11,6.03E-44,2.80E-98,2.51E-174,4.35E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.204852337,2.889147616,0.181073799,2.252403689,0.03078774,0.465075184,0.109585534,0.119411868,0.133666411,0.22355117,2.79E-12,6.74E-45,3.13E-99,2.81E-175,4.86E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.613910393,2.889035324,0.43308496,2.585247215,0.308194836,0.253063615,0.284002753,0.46077204,0.072162113,0.38725515,4.84E-12,1.17E-44,5.43E-99,4.87E-175,8.42E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.12365973,2.889276789,2.227413899,7.160022287,3.69759062,0.506730035,1.02200581,2.552886768,0.137240692,2.511796119,3.14E-11,7.57E-44,3.52E-98,3.16E-174,5.46E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.897215541,2.889001552,0.55888114,3.046534421,0.665629269,0.175389589,0.395406582,0.755373631,0.048682248,0.383454968,4.79E-12,1.16E-44,5.37E-99,4.82E-175,8.34E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.710484556,2.889335128,2.781956134,9.956530472,6.045242296,0.491236201,1.280851902,3.740670417,0.125767161,2.920694263,3.65E-11,8.80E-44,4.09E-98,3.67E-174,6.35E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.335385552,2.598600446,2.770479172,4.697426381,1.36161318,1.211661453,0.922915053,1.335770085,0.46490178,4.570922451,5.71E-11,1.38E-43,6.41E-98,5.75E-174,9.94E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.754114792,0.731008021,0.382747858,0.712049349,0.188994949,0.496566881,0.556627801,0.461522569,3.86787067,3.347203293,7.98565257,0.568074023,1.51471725,3.67739437,0.244310123,0.069556741,0.921361483,0.061211258,0.895170508,0.053885709,0.015242137,3.991261234,1.171205654,5.224958381,0.882042225,0.964298354,2.850026662,0.449539679,0.195869034,0.815356703,0.128607635,0.532702592,0.198323835,0.120864559,3.495435375,1.927482943,5.673865738,0.723035054,0.851890985,2.940058644,0.704969385,0.364591842,0.733251216,0.175819506,0.565914474,0.504905531,0.418775533,4.009619871,3.401598817,8.166890455,0.599876823,1.489595538,2.576031312,0.544874722,0.258870759,0.762189774,0.161216185,0.434376616,0.304864122,0.211121956,3.379776793,2.21152566,5.954657164,0.643284662,0.950362694,2.799174907,0.763155361,0.404081036,0.705719779,0.192404494,0.512957976,0.607117667,0.514404009,3.966411304,3.575675443,8.405286813,0.558579668,1.634479653,2.970392069,0.703039596,0.363742447,0.735760209,0.17414151,0.577673613,0.501434757,0.41682655,4.037174112,3.424486263,8.221264906,0.603640314,1.49593492 +UMLKV0191,L,ACROLEIN,C=CC=O,C3H4O,Aldehyde,,107-02-8,2.063225818,PubChem,,0.3622,0,0.4084,0.16679056,16.366,8.749172,0,0,8,4,4,0,3,0,1,0,0,0,0,0,0,0,692.82462,529.120583,414.106606,247.660437,34.286112,0,0,0,0,1611.27646,1608.709771,1413.026861,822.2042151,226.1947501,0,0,0,0,62.84712,53.585444,69.352192,61.01334,32.379264,0,0,0,0,10.78835562,11.37131724,10.67534244,6.548579631,1.958761782,0,0,0,0,1305.504962,1019.422231,1415.852352,1352.648204,740.2038574,0,0,0,0,70,34,39,38,16,0,0,0,0,86.6030775,75.58865471,46.01184511,30.95755463,8.571528,0,0,0,0,201.4095575,229.8156816,157.0029845,102.7755269,56.54868753,0,0,0,0,7.85589,7.655063429,7.705799111,7.6266675,8.094816,0,0,0,0,1.348544452,1.624473891,1.18614916,0.818572454,0.489690445,0,0,0,0,163.1881203,145.6317473,157.316928,169.0810255,185.0509644,0,0,0,0,8.75,4.857142857,4.333333333,4.75,4,0,0,0,0,0.140880119,-0.040438806,-0.037742797,0.028105595,-0.020364051,0,0,0,0,299.928108,-25.030009,-98.024018,8.981973,-35.892,0,0,0,0,392.3330032,-67.82816564,-161.6053321,-26.3221878,59.58918397,0,0,0,0,0.90867,-0.00133225,-0.12544175,-0.0681,-0.259461,0,0,0,0,1.801310894,-0.372226281,-0.728376004,-0.311873919,0.511820757,0,0,0,0,10.28518065,-2.142681896,-4.019103925,-2.073062297,3.092257794,0,0,0,0,29.5,-2.5625,-5.4375,2,-8.75,0,0,0,0,0.017610015,-0.005776972,-0.004193644,0.003513199,-0.005091013,0,0,0,0,37.4910135,-3.575715571,-10.89155756,1.122746625,-8.973,0,0,0,0,49.0416254,-9.689737949,-17.95614801,-3.290273475,14.89729599,0,0,0,0,0.11358375,-1.90E-04,-0.013937972,-0.0085125,-0.06486525,0,0,0,0,0.225163862,-0.053175183,-0.080930667,-0.03898424,0.127955189,0,0,0,0,1.285647581,-0.306097414,-0.446567103,-0.259132787,0.773064449,0,0,0,0,3.6875,-0.366071429,-0.604166667,0.25,-2.1875,0,0,0,0,-0.328050393,-0.238139727,0.199500078,-0.289097581,0,0,0,0,-0.095375271,-0.290511153,0.029947087,-0.239337355,0,0,0,0,-0.197581909,-0.366140964,-0.067091444,0.303768398,0,0,0,0,-0.001675604,-0.122710971,-0.074944699,-0.571078609,0,0,0,0,-0.236162156,-0.35943009,-0.173137197,0.568275869,0,0,0,0,-0.238088119,-0.34734799,-0.20155818,0.601303545,0,0,0,0,-0.099273608,-0.163841808,0.06779661,-0.593220339,0,0,0,0,1.00134511,0.990948028,0.721206651,1.575599694,0,0,0,0,0.833813448,1.096883207,0.880799776,1.311239698,0,0,0,0,1.19153668,1.232616587,0.884603637,0.372216214,0,0,0,0,0.505864615,0.886290219,0.974239273,2.172105385,0,0,0,0,1.326567545,1.253000574,0.920747655,0.017760195,0,0,0,0,1.333308415,1.243739461,0.934115538,6.54E-05,0,0,0,0,0.610169492,0.922787194,0.860169492,2.13559322,0,0,0,0,6.631256514,3.440628257,5.894024392,6.756256514,1.689064129,3.517065524,0.25,0.012244088,0.003061022,-1.761084816,6.676834427,1.669208607,0.759457595,6.632699186,3.440982383,5.894815497,6.757331976,1.689332994,3.517377954,0.249265579,0.01220734,0.003051835,-1.762287152,6.677332133,1.669333033,0.759487411,7.910553738,3.75577963,6.704048608,7.711056499,1.927764125,3.805140817,-0.398994478,0.01696601,0.004241503,-1.630617339,7.695714161,1.92392854,0.816265429,6.634213294,3.441354047,5.895646061,6.758460694,1.689615174,3.517705894,0.2484948,0.012168774,0.003042194,-1.763552833,6.677855709,1.669463927,0.759518774,9.263640208,4.090672972,7.770779653,8.722493076,2.180623269,4.123906504,-1.082294264,0.03434509,0.008586273,-1.348518484,11.14596921,2.786492303,0.964431171,6.782325403,3.477729795,5.978326519,6.868892496,1.717223124,3.549976441,0.173134186,0.00841346,0.002103365,-1.911168971,6.735337878,1.68383447,0.76294719,7.34175315,3.929803119,6.85974838,7.581828461,1.895457115,3.981524479,0.555555556,0.022515578,0.005628895,-1.517419136,6.085817694,1.521454423,0.722384438,0,11.98884397,16.00592387,-0.382195266,0.22608806,3.213980507,5.307503849,3,7,5,5,1,2,2,0,0,2,5.330828,3.40723154,2.568551588,1.082112188,0.478407675,0.083923071,0.340847115,0.953666643,1.657991048,1.657991048,0.953666643,0.340847115,0.083923071,0.478407675,1.082112188,2.568551588,3.40723154,3.355526018,2.440914487,1.123329336,0.41162588,0.270913902,0.197091496,0.963212375,1.64355104,1.64355104,0.963212375,0.197091496,0.270913902,0.41162588,1.123329336,2.440914487,3.355526018,3.501815955,2.728707989,1.600245859,1.059674314,0.943918427,0.349810202,0.617037109,1.460799148,1.460799148,0.617037109,0.349810202,0.943918427,1.059674314,1.600245859,2.728707989,3.501815955,3.353378852,2.416231718,1.18722174,0.424097945,0.399277246,0.101127171,0.963841092,1.637890734,1.637890734,0.963841092,0.101127171,0.399277246,0.424097945,1.18722174,2.416231718,3.353378852,3.529669102,2.770135643,1.784638012,1.208173581,1.207644823,0.535342898,0.568396742,1.427241952,1.427241952,0.568396742,0.535342898,1.207644823,1.208173581,1.784638012,2.770135643,3.529669102,3.986145547,3.090055667,1.480760597,0.945589054,0.428571429,0.045909514,0.651877311,1.519049754,1.519049754,0.651877311,0.045909514,0.428571429,0.945589054,1.480760597,3.090055667,3.986145547,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,2.27005561,0.977283884,0.371785024,0.096225045,0,0,0,0,0.567513903,0.325761295,0.185892512,0.096225045,0,0,0,0,4.798454712,8.106336489,7.8,7.92,5.077348503,60.95372575,0.599806839,1.013292061,0.975,0.99,0.634668563,7.619215719,0.29749,15.991,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,0,0,1,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,2,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,1,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.055555556,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,1.261111111,0,0,0,0,0,1.773611111,0,0,0,0,0,0,0,0,0,3.111111111,0,0,1.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.055555556,0.638888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.561111111,0,0,0,0,0,0.5125,0,0,0,0,0,0,0,0,0,3.111111111,0,0,0.638888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.055555556,3.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.7,0,0,0,0,0,0.7,0,0,0,0,0,0,0,0,0,3.111111111,0,0,1.194444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,3.5,0.826388889,9.055555556,0.5125,0.638888889,1.502666667,1.361111111,2.055555556,4.333333333,1.361111111,2.055555556,4.333333333,1.83333,0.45833,0,0.04167,0.59583,0.89167,0.41429,0.53667,0.89167,0.18155,0.05917,-0.12238,0,0.51402,0.20027,0,0.45454,0,0,4.75,1.1875,1.75,0.4375,3,0.75,1.25,0.3125,0,0,0.83524,0.20881,2.95465,2.11941,0.52985,0.57842,0.14461,1.91421,1.33579,0.33395,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3.01,1,1,1,1,0,0,0,1.405639062,2,2.75,2.375,1.25,0,11.2451125,16,22,19,10,0,0.468546354,0.666666667,0.916666667,0.791666667,0.416666667,0,1.594360938,1,0.25,0.625,1.75,3,0.443429754,0.630929754,0.867528411,0.749229082,0.394331096,0,12.86967425,20.0020055,20.75787427,16.25787427,6.879939885,0,14.55150312,11.75,11.5,9.25,4.375,0,4,3,4,4,4,3,1.68,0.504,0,1.414213562,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.446,0.451,0.662,0.298,1.807,2,1,0,0,0,0,0,0,0,10,1.791759469,1.609437912,1.609437912,0,0,0,0,0,0,0,2.890371758,1.7,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.333333333,1,0.333333333,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,17.07,63.96172188,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,56.02621475,7.003276844,6.871320344,1.717830086,2.310660172,2.310660172,0,10,1,0.293,10,1.187428571,2.117956718,2.869616554,3.437444093,0,0,0,0,0,0,96.19727951,102.4045955,100.5193375,33.76788573,0,0,0,0,0,0,287.2553669,342.6878571,307.4418294,208.8882727,0,0,0,0,0,0,9.117328827,16.34325534,22.00966216,28.60947398,0,0,0,0,0,0,2.004556799,2.56691399,2.373364924,1.708960562,0,0,0,0,0,0,171.7501629,331.5341314,484.6376863,636.1782815,0,0,0,0,0,0,5.910285714,9.364000903,14.69000942,15.458634,0,0,0,0,0,0,0.45024,0.612464298,0.629595623,0.557155916,0,0,0,0,0,0,175.6101533,74.33989634,14.71762266,142.0385215,-60.12823728,-21.54818717,33.57163178,134.4681336,36.26580983,0.552843966,0.234031816,0.046333021,0.447156034,-0.189291636,-0.06783654,55.7823325,23.61396956,4.675033335,45.11834815,-19.09965489,-6.844753101,0.335291435,0.70408074,12.81152314,37.897184,263.8236207,53.8250542,0.830551617,0.169448383,291.0249279,17.05945274,6.626894603,330.4100091,18.17718375,6.913284001,373.7215204,19.33187835,7.203043469,1.446146764,1.219839452,108.5604443,97.70408761,10.85635673,1.111114663,9.999712339,8.999712339,2.335979351,2.249927893,4.341351124,0.929551226,1.373808387,0.178962556,2.460543558,2.628511677,0.499630224,0.960170016,3.11E-05,0.080705658,1.44E-19,4.98E-59,3.32E-120,4.26E-203,1.05E-307,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.131802777,0.179027668,0.197855707,0.176828369,0.003548791,0.484653321,3.47E-06,0.009021921,1.61E-20,5.57E-60,3.71E-121,4.76E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.378061524,0.178905484,0.494558587,0.572665329,0.036745706,0.306628202,6.02E-06,0.015628571,2.80E-20,9.65E-60,6.42E-121,8.24E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.301874797,0.179028038,2.596078566,2.479651632,0.445183359,1.030990272,3.90E-05,0.101369303,1.81E-19,6.26E-59,4.16E-120,5.35E-203,1.32E-307,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.549610049,0.178859095,0.663275429,0.866055915,0.079743528,0.270934262,5.96E-06,0.015475206,2.77E-20,9.55E-60,6.36E-121,8.16E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.659092243,0.17900422,3.340181115,3.371593259,0.728568428,1.309681999,4.54E-05,0.117871327,2.11E-19,7.28E-59,4.84E-120,6.22E-203,1.54E-307,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.666251752,0.157621479,1.746601025,1.120457165,0.091844071,1.542065081,4.00E-05,0.103764418,1.86E-19,6.41E-59,4.26E-120,5.47E-203,1.35E-307,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.790246523,0.82271052,0,0.685141965,0.314858035,0.5076386,0.419032504,0,2.612957043,1.472854648,4.085811691,0.527712947,0.926671105,2.101894508,0.199993017,3.15E-34,0.913117815,0.086882185,0.706984097,0.024369028,0.052664144,2.301887525,0.420364224,2.722251749,0.869676723,0.784017268,1.657837826,0.434648732,0,0.792281231,0.207718769,0.435722646,0.116038792,0,2.092486558,0.720577109,2.813063666,0.688421846,0.551761438,1.921642716,0.773841861,7.92E-34,0.712911783,0.287088217,0.5843466,0.369282186,0.433753703,2.695484578,1.487047576,4.182532154,0.569367675,1.387382489,1.507748928,0.562955528,6.00E-34,0.728133329,0.271866671,0.359766884,0.195846077,0.208675847,2.070704456,0.848795594,2.91950005,0.592199993,0.764288808,1.855447874,0.870813234,9.06E-34,0.680583334,0.319416666,0.545302112,0.469482003,0.576957732,2.726261108,1.615748563,4.342009671,0.520875001,1.591741847,1.895511669,0.77428541,0,0.709983423,0.290016577,0.568535096,0.369854727,0,2.669797079,1.467667029,4.137464108,0.564975135,0.938389822 +UMLKV0192,L,TRANS-CROTONALDEHYDE,CC=CC=O,C4H6O,Aldehyde,,123-73-9,2.287458636,PubChem,,0.4904,0,0.6082,0.36990724,22.2699,11.842758,0,0,11,5,6,0,4,0,1,0,0,0,0,0,0,0,839.120869,697.59888,596.724119,430.27795,260.783589,51.429168,0,0,0,2096.960851,2261.699906,2242.9211,1652.098455,968.0245759,339.2921252,0,0,0,83.824564,75.361224,111.682532,103.34368,74.849436,48.568896,0,0,0,14.46648143,16.38730586,17.69410118,13.56733837,8.106736845,2.938142673,0,0,0,1802.134622,1452.461683,2371.849655,2308.645508,1690.688404,1110.305786,0,0,0,71,38,48,42,33,24,0,0,0,76.28371536,69.759888,39.78160793,30.73413929,26.0783589,8.571528,0,0,0,190.6328046,226.1699906,149.5280734,118.0070325,96.80245759,56.54868753,0,0,0,7.620414909,7.5361224,7.445502133,7.381691429,7.4849436,8.094816,0,0,0,1.315134675,1.638730586,1.179606745,0.969095598,0.810673685,0.489690445,0,0,0,163.8304202,145.2461683,158.1233103,164.9032505,169.0688404,185.0509644,0,0,0,6.454545455,3.8,3.2,3,3.3,4,0,0,0,0.140654941,-0.03488912,-0.043269962,0.008380039,0.014950599,-0.015499027,0,0,0,392.5073889,-31.79934628,-89.41811279,-3.179275612,-3.255000645,-68.60195913,0,0,0,549.230562,-75.99841757,-160.9501491,-48.2989933,-54.20956989,64.84184882,0,0,0,0.966736727,-2.12E-06,-0.06937081,-0.022388926,-0.045217388,-0.346389124,0,0,0,2.479778585,-0.392017375,-0.738427654,-0.373838165,-0.435848537,0.700242438,0,0,0,13.94946831,-2.219181171,-4.070109692,-2.32168963,-2.732878717,4.369125056,0,0,0,30.90909091,-0.008264463,-2.330578512,-0.520661157,-1.190082645,-11.40495868,0,0,0,0.012786813,-0.003488912,-0.002884664,5.99E-04,0.00149506,-0.002583171,0,0,0,35.6824899,-3.179934628,-5.961207519,-0.227091115,-0.325500064,-11.43365986,0,0,0,49.93005109,-7.599841757,-10.73000994,-3.449928093,-5.420956989,10.8069748,0,0,0,0.087885157,-2.12E-07,-0.004624721,-0.001599209,-0.004521739,-0.057731521,0,0,0,0.225434417,-0.039201737,-0.04922851,-0.026702726,-0.043584854,0.116707073,0,0,0,1.268133482,-0.221918117,-0.271340646,-0.165834974,-0.273287872,0.728187509,0,0,0,2.809917355,-8.26E-04,-0.155371901,-0.037190083,-0.119008264,-1.900826446,0,0,0,-0.272852354,-0.225596809,0.046811839,0.116922016,-0.202018373,0,0,0,-0.089117509,-0.167062543,-0.006364217,-0.009122123,-0.320427747,0,0,0,-0.152209773,-0.21490084,-0.069095225,-0.108571028,0.216442294,0,0,0,-2.41E-06,-0.052622318,-0.018196576,-0.051450541,-0.656897281,0,0,0,-0.1738942,-0.218371759,-0.118450086,-0.193337177,0.51769856,0,0,0,-0.174995866,-0.213968521,-0.130770913,-0.215504027,0.574219922,0,0,0,-2.94E-04,-0.055294118,-0.013235294,-0.042352941,-0.676470588,0,0,0,0.97048176,0.930977583,0.720116152,0.925095721,1.999655886,0,0,0,0.945587547,1.026870093,0.879901797,0.923419892,1.431374844,0,0,0,1.261048866,1.164608196,0.955011635,0.927120283,0.379837112,0,0,0,0.500012037,0.738579574,0.77381239,1.05880533,2.916626544,0,0,0,1.369470998,1.186006319,0.980826428,0.967304521,0.018430005,0,0,0,1.374979331,1.177934287,0.982137936,0.98308479,6.89E-05,0,0,0,0.501470588,0.744117647,0.774159664,1.051470588,2.911764706,0,0,0,11.90584849,6.077924244,9.911514762,12.05584849,2.411169698,6.084178047,0.25,0.070997028,0.014199406,-1.32255863,22.00316808,4.400633615,1.545593223,11.90746686,6.078366219,9.912359402,12.05702621,2.411405241,6.084616057,0.249265579,0.070933653,0.014186731,-1.323005149,21.98586693,4.397173387,1.545199917,13.33701543,6.469010478,10.7405696,13.09761875,2.619523749,6.472756278,-0.398994478,0.01346772,0.002693544,-2.15372978,15.35578719,3.071157439,1.365746209,11.90916535,6.078830075,9.913246069,12.05826223,2.411652446,6.085075756,0.2484948,0.070867133,0.014173427,-1.323474264,21.96776337,4.393552675,1.544788039,14.8458508,6.881778266,11.79998909,14.19647424,2.839294847,6.884110373,-1.082294264,0.041876598,0.00837532,-1.586514062,14.30299169,2.860598338,1.330234362,12.07524532,6.124189755,10.00099549,12.17912583,2.435825167,6.130046602,0.173134186,0.064322214,0.012864443,-1.371925113,20.42832052,4.085664103,1.508461099,11.28133174,5.798813202,9.414012222,11.42418889,2.284837777,5.808480091,0.714285714,0.109072625,0.021814525,-1.107870667,45.08667437,9.017334874,1.904293367,0,11.98878797,16.00592415,-0.382151689,0.226318473,3.374111255,5.936266222,4,10,8,8,2,2,2,0,0,2,7.517242,3.477686128,2.831144772,2.01559253,0.862905952,0.474278387,0.083923071,0.083923071,0.260127461,1.751858608,1.260837167,0.721063279,0.260127461,0.083923071,0.083923071,0.474278387,0.862905952,3.448433963,2.741022572,1.99441213,0.936151438,0.411596843,0.270913902,0.270913902,0.099578375,1.720268961,1.2414378,0.671877098,0.099578375,0.270913902,0.270913902,0.411596843,0.936151438,3.57310582,2.998502908,2.314380849,1.449017111,1.059658838,0.943918427,0.943918427,0.476458,1.553008059,0.930108089,0.28167089,0.476458,0.943918427,0.943918427,1.059658838,1.449017111,3.451988709,2.733794358,2.008537904,1.016767493,0.424097939,0.399277246,0.399277246,0.008411009,1.704651291,1.228765024,0.632832594,0.008411009,0.399277246,0.399277246,0.424097939,1.016767493,3.606160591,3.050046304,2.410553128,1.65643128,1.208173581,1.207644823,1.207644823,0.683371633,1.516802062,0.87045091,0.18751818,0.683371633,1.207644823,1.207644823,1.208173581,1.65643128,4.357332331,3.279944713,2.348289879,1.365948873,0.99887186,0.5,0.5,0.113852935,1.610355781,0.985621945,0.368262864,0.113852935,0.5,0.5,0.99887186,1.365948873,0,0,1,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,3.140299098,1.479719196,0.661866187,0.27101751,0.07856742,0,0,0,0.62805982,0.369929799,0.220622062,0.135508755,0.07856742,0,0,0,6.340282516,10.99417334,10.5254902,10.68,6.875902994,83.98198084,0.57638932,0.999470304,0.956862745,0.970909091,0.62508209,7.634725531,0.68759,20.608,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,0,0,1,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,1,0,3,0,0,0,0,0,0,0,0,1,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.318055556,3.881944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.667708333,0,0,0,0.355902778,0,1.667708333,0,0,0,0,0,0,0,0,1.8,0,0,0,3.881944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.318055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.318055556,0.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0.355902778,0,0.45,0,0,0,0,0,0,0,0,1.8,0,0,0,0.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.318055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.318055556,1.6875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.684375,0,0,0,0.355902778,0,0.684375,0,0,0,0,0,0,0,0,1.8,0,0,0,1.6875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.318055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15,3,0.776388889,9.318055556,0.355902778,0.75,1.864544444,1.25,2.318055556,4.636111111,1.25,2.318055556,4.636111111,2.33333,0.46667,0,0.03333,0.55152,0.85333,0.41765,0.51282,0.85333,0.13387,0.03869,-0.09517,0,0.54687,0.16742,0,0.35714,0,0,5.25,1.05,2.25,0.45,3,0.6,0.75,0.15,0,0,1.70279,0.34056,4.09272,2.38994,0.47799,1.00203,0.20041,2.41421,1.41218,0.28244,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4.01,1,1,1,1,0,0,0.25,1.322179346,2.594906618,2.845350937,3.027169118,2.398181551,1.140206417,14.5439728,28.5439728,31.2988603,33.2988603,26.37999707,12.54227059,0.382195543,0.750096231,0.822490874,0.875048115,0.693229934,0.32959357,2.137252273,0.864525,0.614080682,0.4322625,1.061250067,2.319225201,0.368812601,0.723830896,0.793690572,0.844407471,0.668955826,0.318052537,11.87944566,21.15644113,19.41026792,21.5920861,14.0442353,5.862475077,18.11470696,13.13111417,14.13304619,12.54093897,8.767013572,4.364100603,5,4,4,5,4,4,1.79,0.6449,0,1.650963624,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.445,0.439,0.722,0.307,2.353,3,2,1,0,0,0,0,0,0,15,1.945910149,1.945910149,1.945910149,1.609437912,0,0,0,0,0,0,3.33220451,1.8,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,2,0.5,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,17.07,81.2577065,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,70.04186481,6.367442256,8.849873734,1.769974747,2.362436867,2.362436867,0,20,2,0.817,14,1.209418121,2.128219012,2.9691237,3.779804287,4.97441228,0,0,0,0,0,93.68657118,94.17370295,107.4238893,121.2266116,44.91859078,0,0,0,0,0,294.9330548,341.2565298,380.9775709,412.5823055,288.9819322,0,0,0,0,0,9.147874237,15.92340138,22.01386235,28.76205142,40.682342,0,0,0,0,0,2.09674738,2.640969046,3.026479971,3.298491076,2.449526791,0,0,0,0,0,173.8647048,332.884513,486.2227553,629.1279649,920.5600238,0,0,0,0,0,4.75160588,7.124386553,9.433504764,14.13415805,20.80306405,0,0,0,0,0,0.458717048,0.601048888,0.713721738,0.846282307,0.779522141,0,0,0,0,0,209.9447176,95.62432014,11.60980424,146.1832722,-66.58265174,-21.14731979,63.76144543,162.2069719,32.75712403,0.589520407,0.268511105,0.032600089,0.410479593,-0.186962703,-0.059381235,74.76719025,34.0544969,4.134576245,52.05995486,-23.71194592,-7.531152487,0.312191148,0.654359784,6.224606037,34.86687778,302.844034,53.28395577,0.850379759,0.149620241,338.5308201,18.39920705,6.969464406,398.8183935,19.97043799,7.360800716,453.3857139,21.29285594,7.682264877,1.881479993,1.691681058,241.3558773,228.0467584,16.52066712,1.05836136,14.60932997,13.80372577,2.948215841,3.368837791,5.685682032,0.687728049,2.544676766,2.022178541,1.788173977,3.495057785,1.988187382,0.829896169,0.700958408,0.560472979,1.262880716,0.031816157,5.12E-05,1.59E-29,9.52E-76,1.10E-143,2.45E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.221330702,2.020627734,0.172486127,2.049370206,0.018606238,0.881590283,0.167106077,0.033229187,0.21797809,0.003556663,5.72E-06,1.78E-30,1.06E-76,1.23E-144,2.74E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.692156733,2.02041567,0.414292965,2.091203723,0.157748397,0.513541136,0.223543148,0.116325698,0.277346267,0.006161167,9.92E-06,3.08E-30,1.84E-76,2.13E-144,4.74E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.404373938,2.022164409,1.954690331,3.554329056,1.774608796,1.034936187,0.827966022,0.519526651,1.590869458,0.039962274,6.43E-05,2.00E-29,1.20E-75,1.38E-143,3.08E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.016540834,2.020440851,0.531223266,2.154085461,0.331323006,0.383952748,0.232683908,0.180651263,0.260312574,0.006100707,9.82E-06,3.05E-30,1.83E-76,2.11E-144,4.70E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.073074621,2.023086834,2.381348244,4.219612567,2.884569856,1.003434645,0.95777973,0.721947658,1.828639018,0.046467778,7.48E-05,2.32E-29,1.39E-75,1.61E-143,3.58E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.291007509,2.022200756,1.96185499,3.412688453,0.512015896,2.366538049,1.044661561,0.235321772,2.319990035,0.055678275,8.96E-05,2.78E-29,1.67E-75,1.92E-143,4.29E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.300038035,0.746365148,0.144846038,0.787363829,0.178077014,0.585657119,0.469875027,0.181818183,4.191249221,3.049138844,7.59714869,0.681045744,1.237350329,3.828805696,0.214732418,0.022913825,0.941559314,0.052805842,0.793988287,0.034796805,0.004550082,4.066451938,0.914821628,5.000112596,0.91233897,0.833335174,3.136175565,0.41601251,0.068080383,0.866282598,0.114912061,0.52743968,0.142342872,0.040166876,3.620268457,1.546522591,5.255614725,0.799423897,0.709949428,3.485370347,0.721232395,0.136795304,0.802452437,0.166052567,0.651636423,0.436199537,0.162168483,4.343398047,3.089205505,7.77647439,0.703678655,1.250004442,2.92222711,0.51350708,0.092521811,0.828235567,0.145541333,0.458488322,0.221981503,0.074184355,3.528256001,1.81846466,5.48555744,0.742353351,0.75465418,3.386445891,0.790038217,0.154484853,0.781914145,0.182416042,0.616781574,0.526483876,0.206821596,4.330968961,3.320625207,8.064906292,0.672871217,1.350087046,3.476822735,0.719961652,0.136569121,0.802339973,0.166144223,0.64846544,0.434762933,0.161632655,4.333353507,3.076330194,7.751540663,0.703509959,1.244861028 +UMLKV0193,L,METHACROLEIN,CC(=C)C=O,C4H6O,Aldehyde,,78-85-3,2.271796133,PubChem,,0.4678,0,0.9615,0.92448225,20.7231,11.842758,0,0,11,5,6,0,4,0,1,0,0,0,0,0,0,0,839.120869,697.59888,717.790128,529.613034,91.811664,0,0,0,0,2096.960851,2261.699906,2468.048514,1982.298401,751.9893419,0,0,0,0,83.824564,75.361224,111.706248,105.479352,121.258944,0,0,0,0,14.46648143,16.38730586,18.70052547,16.04121172,7.564581883,0,0,0,0,1802.134622,1452.461683,2377.316568,2144.157229,2960.015556,0,0,0,0,74.77777778,39.66666667,48.66666667,63,46,0,0,0,0,76.28371536,69.759888,47.8526752,37.82950243,5.738229,0,0,0,0,190.6328046,226.1699906,164.5365676,141.5927429,46.99933387,0,0,0,0,7.620414909,7.5361224,7.4470832,7.534239429,7.578684,0,0,0,0,1.315134675,1.638730586,1.246701698,1.145800837,0.472786368,0,0,0,0,163.8304202,145.2461683,158.4877712,153.1540878,185.0009722,0,0,0,0,6.797979798,3.966666667,3.244444444,4.5,2.875,0,0,0,0,0.140094068,-0.04075636,-0.042663618,0.040536021,-0.027163077,0,0,0,0,392.5073889,-31.79934628,31.64789621,-254.3947702,58.29252586,0,0,0,0,549.230562,-75.99841757,64.17726439,-607.9873405,345.1932127,0,0,0,0,0.966736727,-2.12E-06,-0.04565481,-1.69E-05,-0.437694512,0,0,0,0,2.479778585,-0.392017375,0.267996631,-3.136138999,2.020270451,0,0,0,0,13.94946831,-2.219181171,1.396802997,-17.75344937,11.60109339,0,0,0,0,32.1010101,-2.293847567,-0.814508724,1.103764922,-14.04591368,0,0,0,0,0.012735824,-0.004075636,-0.002844241,0.00289543,-0.001697692,0,0,0,0,35.6824899,-3.179934628,2.109859748,-18.17105502,3.643282866,0,0,0,0,49.93005109,-7.599841757,4.278484292,-43.42766718,21.5745758,0,0,0,0,0.087885157,-2.12E-07,-0.003043654,-1.21E-06,-0.027355907,0,0,0,0,0.225434417,-0.039201737,0.017866442,-0.224009929,0.126266903,0,0,0,0,1.268133482,-0.221918117,0.0931202,-1.268103527,0.725068337,0,0,0,0,2.918273646,-0.229384757,-0.054300582,0.078840352,-0.877869605,0,0,0,0,-0.32001352,-0.223326038,0.227345318,-0.133300542,0,0,0,0,-0.089117509,0.059128714,-0.509242911,0.102102821,0,0,0,0,-0.152209773,0.085689564,-0.869770133,0.432096009,0,0,0,0,-2.41E-06,-0.034632173,-1.38E-05,-0.311268796,0,0,0,0,-0.1738942,0.079253391,-0.993681141,0.560104819,0,0,0,0,-0.174995866,0.073430913,-0.999976378,0.571760266,0,0,0,0,-0.078602895,-0.01860709,0.027016093,-0.300818125,0,0,0,0,1.019376809,0.879325782,0.739258253,1.329170603,0,0,0,0,0.945587547,0.821241677,1.350839353,0.894609277,0,0,0,0,1.261048866,0.891344193,1.801498381,0.237398195,0,0,0,0,0.500012037,0.722224897,0.71430291,1.82289159,0,0,0,0,1.369470998,0.915438,1.956387141,0.011518753,0,0,0,0,1.374979331,0.916662073,1.964256187,4.31E-05,0,0,0,0,0.60745752,0.717642123,0.723163715,1.752281309,0,0,0,0,10.99372999,5.621864994,8.724319414,11.14372999,2.228745998,5.631465376,0.25,0.034954073,0.006990815,-1.676860137,12.61232486,2.522464972,1.26733725,10.99535102,5.622308299,8.725237407,11.14491037,2.228982073,5.631902556,0.249265579,0.034882389,0.006976478,-1.677886593,12.61093582,2.522187164,1.26728218,12.4273286,6.014167063,9.639563314,12.18793192,2.437586383,6.019906686,-0.398994478,0.026546773,0.005309355,-1.814423534,12.18630467,2.437260933,1.250156376,10.9970523,5.622773551,8.726201124,11.14614918,2.229229837,5.632361387,0.2484948,0.034807153,0.006961431,-1.678966182,12.60948029,2.521896057,1.267224467,13.93881555,6.428260643,10.81019777,13.28943899,2.657887799,6.431832958,-1.082294264,0.076932906,0.015386581,-1.282410796,13.37231167,2.674462335,1.296593138,11.16340665,5.668270418,8.821810131,11.26728716,2.253457432,5.677257997,0.173134186,0.027439494,0.005487899,-1.797885959,12.4783705,2.4956741,1.261998393,13.75861183,7.008998368,11.10715708,13.85892929,2.771785859,7.011586504,0.501587302,0.087811458,0.017562292,-1.216281644,14.10029749,2.820059498,1.323097948,0,11.98878797,16.00592415,-0.381545819,0.228632797,3.53981611,6.577002831,4,10,8,8,2,2,2,0,0,2,7.517242,3.509459888,2.67847514,2.218395651,0.724772728,0.321809014,0.083923071,0.083923071,0.083923071,1.758561741,1.156979116,0.953573378,0.083923071,0.083923071,0.083923071,0.321809014,0.724772728,3.477029432,2.537525879,2.274958569,0.616133374,0.387686804,0.270913902,0.270913902,0.270913902,1.732931724,1.098167302,0.934694221,0.270913902,0.270913902,0.270913902,0.387686804,0.616133374,3.596333522,2.837029517,2.562959459,1.096360462,0.960201292,0.943918427,0.943918427,0.943918427,1.572156411,0.741445484,0.576864294,0.943918427,0.943918427,0.943918427,0.960201292,1.096360462,3.478409683,2.516058373,2.313657317,0.639331043,0.423341109,0.399277246,0.399277246,0.399277246,1.720423697,1.083311602,0.888990967,0.399277246,0.399277246,0.399277246,0.423341109,0.639331043,3.625672204,2.882870704,2.679235106,1.208174514,1.207644823,1.207644823,1.207644823,1.128828023,1.539790131,0.675226412,0.477443466,1.128828023,1.207644823,1.207644823,1.207644823,1.208174514,4.155367509,3.262347339,2.430826433,1.35966296,0.553669937,0.461538462,0.461538462,0.461538462,1.655965529,0.900878958,0.589645076,0.461538462,0.461538462,0.461538462,0.553669937,1.35966296,0,0,2,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.204124145,0,0,0,0.40824829,0,0,0.083333333,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.192705341,1.377930786,0.964203801,0.201184464,0,0,0,0,0.638541068,0.344482696,0.24105095,0.100592232,0,0,0,0,6.340282516,10.99417334,10.5254902,10.68,6.875902994,83.98198084,0.57638932,0.999470304,0.956862745,0.970909091,0.62508209,7.634725531,0.68759,20.608,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,0,0,1,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,1,0,2,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.405092593,4.601851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.484722222,0.672222222,0,0,0,0.396180556,0,1.156944444,0,0,0,0,0,0,0,0,1.659722222,3.305555556,0,0,0.722222222,0,0,0,0,0.574074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.405092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.405092593,0.574074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.484722222,0.672222222,0,0,0,0.396180556,0,0.484722222,0,0,0,0,0,0,0,0,1.659722222,3.305555556,0,0,0.722222222,0,0,0,0,0.574074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.405092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.405092593,3.305555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.484722222,0.672222222,0,0,0,0.396180556,0,0.672222222,0,0,0,0,0,0,0,0,1.659722222,3.305555556,0,0,0.722222222,0,0,0,0,0.574074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.405092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.66666667,3.133333333,0.748263889,9.405092593,0.298611111,0.574074074,1.889444444,1.277777778,2.405092593,5.421296296,1.277777778,2.405092593,5.421296296,2.33333,0.46667,0,0.03333,0.55152,0.85333,0.41765,0.51282,0.85333,0.13387,0.03869,-0.09517,0,0.54687,0.16742,0,0.57143,0.21429,0,5.25,1.05,2.25,0.45,3,0.6,0.75,0.15,0,0,1.79141,0.35828,4.43249,2.64109,0.52822,0.95058,0.19012,2.27005,1.31947,0.26389,0.14395,0.02879,0.14395,0.02879,0,4.01,1,1,1,1,0,0,0.25,1.322179346,2.594906618,2.845350937,2.530857153,1.587375803,0,14.5439728,28.5439728,31.2988603,27.83942868,17.46113383,0,0.382195543,0.750096231,0.822490874,0.731581783,0.458854511,0,2.137252273,0.864525,0.614080682,0.928574466,1.872055816,3.459431619,0.368812601,0.723830896,0.793690572,0.705964749,0.442787282,0,11.87944566,21.15644113,21.40884519,17.63491978,6.313143577,0,18.11470696,13.13111417,12.80629018,10.91932748,5.258439373,0,5,2.25,4,5,4,3,1.79,0.6449,0.5,1,2,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.442,0.439,0.638,0.306,2.283,4,2,0,0,0,0,0,0,0,15,1.945910149,2.079441542,1.945910149,0,0,0,0,0,0,0,3.218875825,1.6,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,2,0.5,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,17.07,81.2577065,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,70.04186481,6.367442256,8.696801932,1.739360386,2.329115249,2.329115249,0,18,2,0.474,16,1.2047,2.108597057,3.005845692,3.523563736,0,0,0,0,0,0,91.64400086,111.4915204,116.641427,20.83459672,0,0,0,0,0,0,290.1572918,373.8595446,428.6669342,167.6799036,0,0,0,0,0,0,9.103871466,15.76393785,22.69424506,26.81611433,0,0,0,0,0,0,2.069899306,2.785732593,3.447777033,1.669565591,0,0,0,0,0,0,173.4750553,330.081693,460.3611499,651.8735785,0,0,0,0,0,0,4.860033333,7.153839389,13.54984574,10.37467061,0,0,0,0,0,0,0.45308625,0.625505613,0.828368337,0.477738484,0,0,0,0,0,0,194.8824171,86.95132782,12.43093923,88.9813904,-39.70111908,-16.27226991,105.9010267,126.6524469,28.70320914,0.686534923,0.30631354,0.043791913,0.313465077,-0.139859743,-0.057324215,55.32006492,24.68233498,3.52869374,25.25859627,-11.26971082,-4.619108494,0.324613702,0.667370147,9.841151299,30.10541546,238.7532859,45.11052161,0.841083927,0.158916073,355.2816979,18.84891769,7.082571137,413.828539,20.34277609,7.452010862,509.8607757,22.58009689,7.988842653,1.255663183,1.014121717,162.6170831,116.9367536,49.05117802,1.390641335,3.315253368,2.383974419,2.960752845,2.249927893,4.378093092,0.945881512,1.849951165,1.178124129,2.79735644,3.919934699,0.097948036,3.266280111,1.765498174,0.227368313,1.60E-17,2.17E-55,5.69E-115,2.88E-196,2.81E-299,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.171762141,1.178128566,0.219302616,2.284336089,0.008139932,0.55010764,0.122878418,0.025299554,1.78E-18,2.43E-56,6.36E-116,3.22E-197,3.14E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.507055222,1.17801054,0.569765987,2.519726923,0.026325328,0.689272716,0.256374945,0.043894767,3.09E-18,4.20E-56,1.10E-115,5.58E-197,5.44E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.751314739,1.178182986,2.909845673,3.881933425,0.092399039,3.119652587,1.957943498,0.285173579,2.00E-17,2.73E-55,7.15E-115,3.62E-196,3.53E-299,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.739723026,1.177969448,0.77853496,2.711858615,0.038852527,0.916260948,0.315545015,0.043561323,3.06E-18,4.16E-56,1.09E-115,5.52E-197,5.39E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.234103604,1.178193628,3.766644399,4.352054361,0.118554101,4.378447972,2.577030336,0.33207107,2.33E-17,3.17E-55,8.31E-115,4.21E-196,4.10E-299,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.975544944,0.861868507,2.004607279,3.765778628,0.05920698,1.872575575,1.723726184,0.337600824,2.38E-17,3.24E-55,8.49E-115,4.29E-196,4.19E-299,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.831902255,1.451179568,0.152030741,0.533287402,0.422454735,0.595345308,0.478748923,0.181818182,3.435112564,3.157548486,6.996822479,0.433613206,1.255912413,1.972481429,0.676478377,0.024050404,0.737925138,0.253077364,0.687215858,0.104864261,0.004550082,2.67301021,1.398049588,4.103151239,0.606887708,0.796630201,1.596469469,1.019673023,0.071457329,0.594013088,0.379399126,0.446895914,0.24027947,0.040166875,2.687599821,1.814819404,4.618742956,0.460118321,0.727342258,1.918248658,1.410163541,0.143580672,0.552492107,0.406153928,0.645518378,0.458879922,0.162168481,3.47199287,3.182939979,7.04332493,0.437969052,1.266566781,1.510266089,1.169361635,0.09711111,0.543899221,0.421127699,0.402090466,0.313431602,0.074184354,2.776738833,2.026268844,4.974510483,0.44754038,0.789706422,1.900010493,1.503797485,0.162147664,0.532819441,0.421709532,0.640280175,0.514257221,0.206821594,3.565955643,3.409150515,7.438399491,0.43179346,1.36135899,1.901758233,1.416543165,0.143427764,0.549366558,0.409201038,0.634931584,0.462553487,0.161823258,3.461729162,3.169859176,7.017971636,0.437851393,1.259308329 +UMLKV0194,L,METHYL FORMATE,COC=O,C2H4O2,"Acetyl (has 2 C-O bonds, formed by reaction of aldehyde & alcohol)",,107-31-3,2.063225818,PubChem,,0.3134,0,-0.0577,0.00332929,13.3408,7.791172,0,0,8,4,4,0,2,0,2,0,0,0,0,0,0,0,804.5285,624.920319,483.915274,240.592341,51.429168,0,0,0,0,1404.150335,1367.134972,1143.227065,761.6759676,339.2921252,0,0,0,0,68.65832,58.57218,88.403464,38.504412,48.568896,0,0,0,0,8.642659619,8.47219724,7.439782645,5.79351724,2.938142673,0,0,0,0,1364.161892,1072.520176,1792.919981,765.8335193,1110.305786,0,0,0,0,73.25,36,52.5,22,24,0,0,0,0,100.5660625,89.27433129,48.3915274,48.1184682,8.571528,0,0,0,0,175.5187919,195.304996,114.3227065,152.3351935,56.54868753,0,0,0,0,8.58229,8.367454286,8.8403464,7.7008824,8.094816,0,0,0,0,1.080332452,1.210313891,0.743978264,1.158703448,0.489690445,0,0,0,0,170.5202365,153.217168,179.2919981,153.1667039,185.0509644,0,0,0,0,9.15625,5.142857143,5.25,4.4,4,0,0,0,0,0.267535403,-0.119676652,-0.026765011,0.033824692,-0.021150731,0,0,0,0,353.748162,-2.32657425,-56.837973,-78.83550675,-38.874027,0,0,0,0,325.7990109,-133.0953746,105.7744331,-188.7086214,53.13005749,0,0,0,0,1.563792,-0.1587,-0.277848,0.0687,-0.414048,0,0,0,0,1.401417218,-1.140138828,0.994301595,-0.925425133,0.370553757,0,0,0,0,8.246789654,-7.238478498,6.19607269,-5.130937114,2.049948095,0,0,0,0,30.46875,-0.56640625,-1.5546875,0.17578125,-13.2890625,0,0,0,0,0.033441925,-0.017096665,-0.002676501,0.006764938,-0.003525122,0,0,0,0,44.21852025,-0.33236775,-5.6837973,-15.76710135,-6.4790045,0,0,0,0,40.72487636,-19.01362494,10.57744331,-37.74172428,8.855009581,0,0,0,0,0.195474,-0.022671429,-0.0277848,0.01374,-0.069008,0,0,0,0,0.175177152,-0.162876975,0.099430159,-0.185085027,0.061758959,0,0,0,0,1.030848707,-1.034068357,0.619607269,-1.026187423,0.341658016,0,0,0,0,3.80859375,-0.080915179,-0.15546875,0.03515625,-2.21484375,0,0,0,0,-0.511234457,-0.0800343,0.202289142,-0.105410251,0,0,0,0,-0.007516483,-0.12853884,-0.356572343,-0.146522418,0,0,0,0,-0.466879869,0.259729292,-0.926748652,0.217434904,0,0,0,0,-0.115981811,-0.142140643,0.070290678,-0.353029047,0,0,0,0,-0.929784355,0.567597762,-1.05655917,0.352551453,0,0,0,0,-1.0031233,0.601065185,-0.995478208,0.331433714,0,0,0,0,-0.021245421,-0.040820513,0.009230769,-0.581538462,0,0,0,0,1.381749605,1.104180196,0.579229888,0.731633561,0,0,0,0,0.751914109,1.111744693,0.98973723,1.111744693,0,0,0,0,1.540605778,0.448229431,2.008817731,0.448229431,0,0,0,0,0.821162917,1.26214164,0.411518667,1.26214164,0,0,0,0,2.242718678,0.022828057,2.387144068,0.022828057,0,0,0,0,2.336946106,8.16E-05,2.3280144,8.16E-05,0,0,0,0,0.54974359,0.841435897,0.66625641,2.067692308,0,0,0,0,6.297731245,3.398865622,5.61324252,6.547731245,1.636932811,3.480313975,0.5,0.11322111,0.028305278,-0.871365058,8.662956661,2.165739165,0.863622432,6.304895108,3.401713133,5.618572754,6.554160688,1.638540172,3.48289218,0.498531158,0.113239427,0.028309857,-0.871300352,8.661425301,2.165356325,0.863551717,12.67919518,5.940603113,10.39300419,12.2802007,3.070050176,5.945070707,-0.797988956,0.120110699,0.030027675,-0.847736587,8.071797004,2.017949251,0.835350454,6.312413886,3.404701743,5.624167206,6.560908686,1.640227172,3.485599095,0.4969896,0.113258599,0.02831465,-0.871232636,8.659822542,2.164955635,0.863477692,19.43715761,8.636284541,15.48244663,18.35486335,4.588715837,8.636523921,-2.164588529,0.121477659,0.030369415,-0.843209963,7.924703348,1.981175837,0.827993955,7.048716935,3.697492654,6.172692658,7.221851121,1.80546278,3.755045529,0.346268372,0.114904369,0.028726092,-0.865462029,8.522490234,2.130622559,0.857083432,4.378589099,2.576091841,4.092311474,4.58075511,1.145188778,2.801621075,1.142857143,0.134973153,0.033743288,-0.801071756,10.14657112,2.536642781,0.926854331,0,11.98891037,16.00602308,-0.344508166,0.32234252,2.721695251,4.102007601,3,7,6,6,2,1,1,0,0,1,7.246828,3.294557424,2.572995341,1.096358894,0.406715705,0.083923071,0.083923071,1.064444705,1.474278571,1.474278571,1.064444705,0.083923071,0.083923071,0.406715705,1.096358894,2.572995341,3.294557424,3.069877669,2.504001852,0.63639188,0.376707301,0.270913902,0.270913902,1.092469007,1.523083683,1.523083683,1.092469007,0.270913902,0.270913902,0.376707301,0.63639188,2.504001852,3.069877669,3.379308743,2.807893768,1.257996087,1.031601217,0.943918427,0.943918427,0.739839777,1.187797619,1.187797619,0.739839777,0.943918427,0.943918427,1.031601217,1.257996087,2.807893768,3.379308743,3.013361548,2.506522153,0.465537033,0.417821133,0.399277246,0.399277246,1.081718178,1.562490157,1.562490157,1.081718178,0.399277246,0.399277246,0.417821133,0.465537033,2.506522153,3.013361548,3.377699088,2.877961978,1.209066584,1.208040403,1.207644823,1.207644823,0.669766918,1.168939343,1.168939343,0.669766918,1.207644823,1.207644823,1.208040403,1.209066584,2.877961978,3.377699088,4.363423895,3.047766952,1.803350572,0.932968688,0.5,0.5,0.677592939,1.219917167,1.219917167,0.677592939,0.5,0.5,0.932968688,1.803350572,3.047766952,4.363423895,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,2.39384685,0.879652811,0.331927305,0.096225045,0,0,0,0,0.598461713,0.293217604,0.165963653,0.096225045,0,0,0,0,4.513253816,8.436999272,8.149019608,8.32,4.557588024,62.3655521,0.564156727,1.054624909,1.018627451,1.04,0.569698503,7.795694012,-0.2108,13.073,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.8125,0.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.859722222,0,0,0,0,0,0.859722222,0,0,0,0,0,0,0,0,1.3125,0,0,0,0.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.951388889,3.861111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.861111111,0.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.859722222,0,0,0,0,0,0.859722222,0,0,0,0,0,0,0,0,1.3125,0,0,0,0.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.951388889,3.861111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.951388889,0.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.859722222,0,0,0,0,0,0.859722222,0,0,0,0,0,0,0,0,1.3125,0,0,0,0.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.951388889,3.861111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.5,3.625,0.894097222,8.951388889,0.555902778,0.375,0.672,1.625,1.951388889,4.625,1.625,1.951388889,4.625,1.66666,0.41667,0,0.08333,0.69167,1.08334,0.41429,0.69167,1.08334,0.27738,0,-0.27738,0,0.38461,0.32968,0,0.5,0,0,3.75,0.9375,2.25,0.5625,1.5,0.375,-0.75,-0.1875,0,0,1.09664,0.27416,2.95465,1.85802,0.4645,0.73449,0.18362,1.91421,1.17973,0.29493,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3.02,2,2,2,2,0,0,0.5,1.5,2.405639062,2.405639062,1.625,1.280639062,0,12,19.2451125,19.2451125,13,10.2451125,0,0.5,0.801879687,0.801879687,0.541666667,0.426879687,0,1.5,0.594360938,0.594360938,1.375,1.719360938,3,0.5,0.801879687,0.801879687,0.541666667,0.426879687,0,14.50136983,21.90891168,21.90891168,15.5020055,6.910818699,0,16,12.46691719,12.46691719,9.5,4.966917187,0,4,3,4,4,3,0,1.46,0.4648,0,0.5,0,0,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.428,0.418,0.582,0.072,1.385,2,1,0,0,0,0,0,0,0,10,1.609437912,1.386294361,1.098612289,0,0,0,0,0,0,0,2.63905733,1.3,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.333333333,2,0.666666667,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,26.3,58.09242265,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,60.02112937,7.502641171,6.871320344,1.717830086,4.871320344,4.871320344,0,10,1,0.005,10,1.2,2.021508973,2.79589162,3.283393731,0,0,0,0,0,0,116.0805978,106.4852912,156.0615655,32.40637024,0,0,0,0,0,0,243.7119272,244.3962886,448.3890582,200.0385096,0,0,0,0,0,0,10.18592453,18.06710579,21.87949869,27.35498334,0,0,0,0,0,0,1.463601941,1.561423555,3.266605319,1.633278548,0,0,0,0,0,0,183.8715776,361.1656471,428.2639003,607.6703889,0,0,0,0,0,0,6.428,11.19046223,13.73663916,14.82612575,0,0,0,0,0,0,0.42336,0.483692264,0.833911107,0.533215478,0,0,0,0,0,0,206.639664,122.2621473,16.69750759,89.96473344,-53.22928464,-26.08805715,116.6749305,175.4914319,42.78556473,0.696684425,0.412206118,0.05629555,0.303315575,-0.179462223,-0.087955733,61.29023301,36.26349052,4.952554177,26.68393555,-15.78803989,-7.737832469,0.418965461,0.543586146,7.734252569,18.90195457,188.1793056,108.4250918,0.634445434,0.365554566,336.5010261,18.3439643,6.955507089,375.2491704,19.37134921,7.21284468,433.37036,20.81754933,7.567511128,1.670853285,1.628743726,110.0082475,101.8346839,11.54441208,1.080263062,9.529133811,8.821123431,2.300999979,2.227673507,4.060864238,0.822917149,1.128828271,0.455505635,3.823090696,0.355981093,2.082644221,0.858775112,1.380853282,8.44E-09,9.94E-39,2.26E-90,9.90E-164,8.37E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.111242255,0.606634872,0.416817723,0.032157922,0.164801495,0.490104404,0.154362773,9.43E-10,1.11E-39,2.52E-91,1.11E-164,9.35E-260,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311686123,0.325541085,0.719639046,0.097592266,0.53857517,0.334615773,0.267400877,1.63E-09,1.92E-39,4.37E-91,1.92E-164,1.62E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.070636909,0.60608732,4.72477508,0.336592128,1.958974076,1.102745587,1.734402979,1.06E-08,1.25E-38,2.84E-90,1.24E-163,1.05E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.451786255,0.218725007,0.730397821,0.142863865,0.800414257,0.25784327,0.26477684,1.62E-09,1.91E-39,4.33E-91,1.90E-164,1.60E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.363246648,0.550902893,5.579872787,0.429765276,2.547648582,1.173142366,2.016748411,1.23E-08,1.45E-38,3.30E-90,1.45E-163,1.22E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.604073021,0.797355255,4.106875683,0.182065093,1.008867447,2.068020453,2.416493243,1.48E-08,1.74E-38,3.95E-90,1.73E-163,1.46E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.869692147,0.410615123,0.209042269,0.751076584,0.164948761,0.570745225,0.472290487,0.25,2.489349539,1.244404476,3.894240754,0.626614876,1.293035711,2.174868706,0.239063181,0.028070953,0.89060859,0.097896357,0.773267147,0.130045179,0.004508023,2.442002841,0.5876924,3.0442902,0.835912885,0.907820349,1.870261786,0.283158858,0.100384262,0.82982417,0.125635922,0.563991211,0.2102849,0.057650496,2.253804906,0.745750733,3.052717256,0.744736255,0.831926607,1.948858241,0.410229018,0.187098605,0.765402977,0.161115111,0.614652308,0.461686968,0.200268612,2.546185864,1.240860139,3.93662726,0.648104466,1.276607888,1.74551488,0.305673275,0.14650876,0.794247318,0.139088003,0.495052615,0.259767212,0.122800172,2.197696915,0.834074284,3.109942011,0.691370976,0.877619998,1.896862016,0.428929141,0.218349419,0.745580663,0.168594906,0.587493353,0.515393691,0.272756977,2.544140575,1.321454541,4.043248438,0.618370994,1.375644021,1.997068501,0.40164788,0.192222776,0.770789424,0.15502019,0.645796496,0.443686662,0.211388559,2.590939157,1.26320625,4.008330819,0.656184136,1.300871717 +UMLKV0195,L,METHYL ACETATE,CC(=O)OC,C3H6O2,"Acetyl (has 2 C-O bonds, formed by reaction of aldehyde & alcohol)",Esters,79-20-9,2.271796133,PubChem,,0.3511,0,0.0211,4.45E-04,17.4128,10.884758,0,0,11,5,6,0,3,0,2,0,0,0,0,0,0,0,950.824749,793.398616,875.358724,469.511326,121.023504,9.144576,0,0,0,1889.834726,2020.125106,2022.11989,1562.538037,934.4605901,279.7536999,0,0,0,89.635764,80.34796,131.037184,95.754304,71.119296,60.466176,0,0,0,12.32078543,13.48818586,13.72339832,10.67748085,8.285569818,4.001516144,0,0,0,1860.791552,1505.559628,2743.358684,1850.610988,1474.288116,1664.258868,0,0,0,78.02777778,39.83333333,70.33333333,54.5,33,9,0,0,0,86.43861355,79.3398616,54.70992025,42.68284782,13.447056,1.016064,0,0,0,171.8031569,202.0125106,126.3824932,142.0489124,103.8289545,31.08374443,0,0,0,8.148705818,8.034796,8.189824,8.704936727,7.902144,6.718464,0,0,0,1.120071403,1.348818586,0.857712395,0.970680077,0.920618869,0.444612905,0,0,0,169.1628684,150.5559628,171.4599178,168.2373625,163.8097907,184.917652,0,0,0,7.093434343,3.983333333,4.395833333,4.954545455,3.666666667,1,0,0,0,0.253700989,-0.150498214,0.070573457,-0.028387937,-0.034533658,0.015995859,0,0,0,451.9430907,-6.799068661,158.3903264,-332.2389565,-340.4543815,295.130535,0,0,0,478.2138737,-139.8847081,140.1428438,-159.5316154,-377.7030919,297.8696347,0,0,0,1.718890909,-0.080206281,0.36184595,-1.169680727,-0.468814017,0.49740962,0,0,0,2.077777484,-1.109015116,0.342409293,0.043057559,-1.115569126,0.800228648,0,0,0,11.97845018,-6.92140965,1.517690862,1.035310975,-5.239681895,3.618864617,0,0,0,33.35858586,-2.179522498,10.03145087,-18.71717172,-15.08884298,9.274793388,0,0,0,0.023063726,-0.015049821,0.004410841,-0.002580722,-0.003837073,0.001777318,0,0,0,41.08573552,-0.679906866,9.8993954,-30.2035415,-37.82826461,32.79228166,0,0,0,43.47398852,-13.98847081,8.758927736,-14.50287413,-41.96701021,33.09662608,0,0,0,0.15626281,-0.008020628,0.022615372,-0.106334612,-0.052090446,0.055267736,0,0,0,0.188888862,-0.110901512,0.021400581,0.003914324,-0.123952125,0.088914294,0,0,0,1.088950016,-0.692140965,0.094855679,0.09411918,-0.582186877,0.402096069,0,0,0,3.032598714,-0.21795225,0.62696568,-1.701561065,-1.676538108,1.030532599,0,0,0,-0.652532087,0.191245812,-0.111895256,-0.16636831,0.077061165,0,0,0,-0.01654849,0.240944826,-0.735134497,-0.920715283,0.798142743,0,0,0,-0.321766447,0.201475136,-0.333598886,-0.965336093,0.761297208,0,0,0,-0.051327812,0.144726515,-0.680485725,-0.333351527,0.353684511,0,0,0,-0.587125733,0.113297209,0.020722892,-0.656217226,0.470722801,0,0,0,-0.635603981,0.087107468,0.086431129,-0.534631405,0.369251171,0,0,0,-0.071869796,0.206742051,-0.561090083,-0.552838759,0.339818319,0,0,0,1.571516088,1.003676005,1.550325798,0.677959356,0.007867228,0,0,0,0.856422525,0.739305305,1.737429791,1.721684686,0,0,0,0,1.520355833,0.649958513,1.150602027,1.860053686,0,0,0,0,0.76086504,0.927852659,2.026326701,1.13956815,0,0,0,0,1.997041977,0.68898193,0.849330263,1.629248495,0,0,0,0,2.065310227,0.717952372,0.833391686,1.52137236,0,0,0,0,0.602043906,0.559211771,2.085919758,1.898561696,0,0,0,0,10.52565954,5.512829769,8.411968132,10.82565954,2.165131908,5.523784016,0.5,0.039689564,0.007937913,-1.613333505,13.9717185,2.7943437,1.31851759,10.5338005,5.516165832,8.417642636,10.8329192,2.16658384,5.527077724,0.498531158,0.04005762,0.008011524,-1.608718186,13.95836985,2.791673969,1.318039659,17.80969647,8.505853759,13.73485985,17.3309031,3.46618062,8.506241473,-0.797988956,0.187136526,0.037427305,-0.837958422,11.22559591,2.245119182,1.20909826,10.54234487,5.519667236,8.423599775,10.84053863,2.168107726,5.530534855,0.4969896,0.040442964,0.008088593,-1.603931292,13.94445042,2.788890084,1.317540805,25.57339795,11.70440471,19.5480666,24.27464483,4.854928966,11.70441799,-2.164588529,0.227634127,0.045526825,-0.740007823,11.02250723,2.204501445,1.199969647,11.37949918,5.862883778,9.013657842,11.58726021,2.317452041,5.87019446,0.346268372,0.073872803,0.014774561,-1.30270527,12.92700232,2.585400463,1.279659163,8.614105779,4.702581455,7.135844212,8.937861322,1.787572264,4.734045284,1.168253968,0.129518121,0.025903624,-1.021967239,36.76087145,7.352174291,1.802217002,0,11.99654872,15.99825767,-0.34978203,0.25807073,3.407371546,4.972760266,4,10,9,9,3,1,1,0,0,1,9.433242,3.432385235,2.684892134,2.076373767,1.088489434,0.083923071,0.083923071,0.083923071,0.083923071,1.598013159,1.369570144,0.482653177,0.083923071,0.083923071,0.083923071,0.083923071,1.088489434,3.263032282,2.662019618,1.969674113,0.634259088,0.270913902,0.270913902,0.270913902,0.270913902,1.633608579,1.293072701,0.630877808,0.270913902,0.270913902,0.270913902,0.270913902,0.634259088,3.505419473,2.948513926,2.357048924,1.255984685,0.943918427,0.943918427,0.943918427,0.943918427,1.362976471,0.944551796,0.210276322,0.943918427,0.943918427,0.943918427,0.943918427,1.255984685,3.225144763,2.684317195,1.949328109,0.465144479,0.399277246,0.399277246,0.399277246,0.399277246,1.661601053,1.243402971,0.65989699,0.399277246,0.399277246,0.399277246,0.399277246,0.465144479,3.508396061,3.043632802,2.418169574,1.209058028,1.207644823,1.207644823,1.207644823,1.207644823,1.34369444,0.846294432,0.1552058,1.207644823,1.207644823,1.207644823,1.207644823,1.209058028,4.516490876,3.132386806,2.682943113,1.715676457,0.529411765,0.529411765,0.529411765,0.529411765,1.341696651,1.086985584,0.001167958,0.529411765,0.529411765,0.529411765,0.529411765,1.715676457,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.083333333,0,0,0,0.40824829,0,0,0.083333333,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.316496581,1.316496581,0.695705769,0.287457479,0,0,0,0,0.663299316,0.329124145,0.173926442,0.143728739,0,0,0,0,6.05508162,11.32483613,10.8745098,11.08,6.356142515,85.39380719,0.550461965,1.029530557,0.9885918,1.007272727,0.577831138,7.763073381,0.1793,17.69,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.70138889,-0.24537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0,0,0,0,0,0,0,0,0,0,2.710648148,0,0,0,0,0,0,0,0,-0.24537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.590277778,4.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.111111111,-0.24537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0,0,0,0,0,0,0,0,0,0,1.349537037,0,0,0,0,0,0,0,0,-0.24537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.590277778,4.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.590277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0,0,0,0,0,0,0,0,0,0,1.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.590277778,4.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.16666667,3.233333333,0.755208333,9.590277778,0.479166667,-0.24537037,1.205597222,1.912037037,2.590277778,6.402777778,1.912037037,2.590277778,6.402777778,2.16666,0.43333,0,0.06667,0.62121,1.00667,0.41765,0.62121,1.00667,0.20357,0,-0.20357,0,0.43046,0.28383,0,0.61538,0.23077,0,4.25,0.85,2.75,0.55,1.5,0.3,-1.25,-0.25,0,0,2.13663,0.42733,4.43249,2.29587,0.45917,1.08652,0.2173,2.27005,1.18352,0.2367,0.14395,0.02879,0.14395,0.02879,0,4.02,2,2,2,2,0,0,0.666666667,1.435371391,2.049452073,2.594906618,2.594906618,1.784100869,0.476983155,15.7890853,22.5439728,28.5439728,28.5439728,19.62510956,5.246814707,0.414915382,0.592424507,0.750096231,0.750096231,0.515720808,0.137879053,2.024060228,1.409979546,0.864525,0.864525,1.675330749,2.982448463,0.414915382,0.592424507,0.750096231,0.750096231,0.515720808,0.137879053,13.7677779,21.8630942,22.41281695,22.41281695,11.42677215,0.480715564,19.2185484,13.55468757,13.76010174,13.76010174,10.94929599,2.861898931,5,2.25,4,5,3,2,1.57,0.6057,0.333333333,0,1.414213562,0,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,1.861,4,2,0,0,0,0,0,0,0,15,1.791759469,1.945910149,1.386294361,0,0,0,0,0,0,0,2.995732274,1.266666667,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,3,0.75,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,26.3,75.38840728,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,74.03677943,6.730616312,8.696801932,1.739360386,4.899812122,4.899812122,0,18,2,0.241,16,1.2135,2.047987675,2.854986086,3.667029687,4.475207403,0,0,0,0,0,105.7209121,125.1503094,126.6664019,48.33364728,4.547097135,0,0,0,0,0,260.0474203,278.0040099,421.9860409,388.6977386,139.1062032,0,0,0,0,0,9.852395917,17.01933586,24.79663102,28.40532954,30.06651983,0,0,0,0,0,1.693241332,1.832565305,2.880770512,3.516618187,1.989734963,0,0,0,0,0,181.9284518,348.7501714,478.2909501,592.9022151,827.5448453,0,0,0,0,0,5.009833333,9.79639787,14.06209845,12.23044018,4.475207403,0,0,0,0,0,0.43465725,0.523542466,0.792654546,0.845616604,0.458261238,0,0,0,0,0,375.9353142,220.0389469,28.70378118,73.04828784,-42.75594156,-20.8593065,302.8870264,262.7948884,49.56308768,0.837302994,0.490082368,0.063930578,0.162697006,-0.095228292,-0.04645895,168.7887915,98.79387896,12.88752707,32.7974834,-19.19671665,-9.365486568,0.440886093,0.545291896,29.58849275,14.58200716,308.823892,140.1597101,0.687828889,0.312171111,399.7398832,19.99349602,7.36646552,457.8620997,21.39771249,7.70746507,585.6092239,24.19936412,8.366348855,1.532273109,1.208248164,159.0759723,114.5332313,51.28443799,1.3889067,3.101837097,2.233294071,2.88060088,2.98454971,5.036801845,0.687625382,1.686629378,1.447476458,4.010976385,3.118992373,2.895428291,1.203317746,0.453412649,1.137026924,1.746667432,9.62E-10,1.02E-40,2.09E-93,8.27E-168,6.30E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.158054637,1.598567905,0.405383676,0.984701985,0.269260063,0.701252516,0.025958656,0.023760353,0.012301922,6.77E-12,7.20E-43,1.47E-95,5.83E-170,4.44E-266,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.462802197,1.317476722,0.774073411,0.864864218,0.711582015,0.748379933,0.091766201,0.123921739,0.128195507,7.06E-11,7.50E-42,1.54E-94,6.07E-169,4.63E-265,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.597155652,1.598054021,4.784426319,3.967901918,3.027252914,1.345374322,0.419657717,1.023916829,1.556249236,8.57E-10,9.10E-41,1.86E-93,7.37E-168,5.62E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.674503544,1.210663949,0.851275892,0.739068408,0.960461439,0.748392399,0.14330846,0.230412089,0.278457772,1.53E-10,1.63E-41,3.34E-94,1.32E-168,1.00E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.036872267,1.542891027,5.746061041,4.433926577,3.734999673,1.461393307,0.587005879,1.60686767,2.547350295,1.40E-09,1.49E-40,3.05E-93,1.21E-167,9.19E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.981262158,1.796819911,4.323314077,5.589188909,2.759186111,1.810917476,0.210074898,0.376109073,0.489550387,2.70E-10,2.86E-41,5.87E-94,2.32E-168,1.77E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.08651002,0.577089143,0.304061482,0.777916837,0.145448211,0.691472709,0.423942207,0.363636364,3.967660645,2.895150813,7.404403161,0.666875256,1.47905128,1.502393093,0.688738825,0.045511329,0.671717805,0.307934145,0.165594952,0.468512443,0.008146734,2.236643246,1.134477778,3.418214165,0.507576708,0.642254129,2.323071399,0.522948096,0.149646093,0.775477546,0.174568249,0.39008727,0.339609808,0.088079584,2.995665588,1.640741462,4.818203972,0.663216319,0.817776662,2.870994881,0.629933714,0.278776801,0.759581655,0.16666212,0.597368129,0.502073791,0.305673474,3.779705397,2.784514144,7.068397553,0.639372483,1.405115394,2.75121189,0.456351717,0.210104342,0.804996837,0.133527225,0.548710929,0.263827785,0.173625914,3.417667949,1.929443311,5.61090152,0.707495256,0.986164628,3.13081073,0.602172719,0.318933714,0.772673923,0.148614272,0.711544595,0.461768377,0.400078627,4.051917163,3.075863086,7.729062412,0.659010884,1.573391599,2.923984412,0.636090999,0.283804154,0.76068575,0.165481511,0.619875595,0.512881692,0.316797676,3.843879566,2.870284358,7.242016994,0.641028626,1.449554962 +UMLKV0196,L,ETHYL FORMATE,CCOC=O,C3H6O2,"Acetyl (has 2 C-O bonds, formed by reaction of aldehyde & alcohol)",,109-94-4,2.287458636,PubChem,,0.3716,0,0.1927,0.03713329,17.6346,10.884758,0,0,11,5,6,0,3,0,2,0,0,0,0,0,0,0,950.824749,793.398616,721.503775,427.226734,274.878453,51.429168,0,0,0,1889.834726,2020.125106,1968.709763,1502.999611,987.8707177,339.2921252,0,0,0,89.635764,80.34796,131.272804,107.651584,70.883676,48.568896,0,0,0,12.32078543,13.48818586,14.25668911,11.74085432,7.752279022,2.938142673,0,0,0,1860.791552,1505.559628,2711.609424,2404.56407,1506.037377,1110.305786,0,0,0,77.5,40.25,64.5,36.5,38,24,0,0,0,86.43861355,79.3398616,45.09398594,30.51619529,30.54205033,8.571528,0,0,0,171.8031569,202.0125106,123.0443602,107.3571151,109.7634131,56.54868753,0,0,0,8.148705818,8.034796,8.20455025,7.689398857,7.875964,8.094816,0,0,0,1.120071403,1.348818586,0.89104307,0.838632451,0.861364336,0.489690445,0,0,0,169.1628684,150.5559628,169.475589,171.7545764,167.3374863,185.0509644,0,0,0,7.045454545,4.025,4.03125,2.607142857,4.222222222,4,0,0,0,0.268003906,-0.127993573,-7.06E-04,-0.004559951,0.009281886,-0.01002473,0,0,0,451.9430907,-6.799068661,-69.56382597,23.67372871,-112.5002291,-60.78215031,0,0,0,478.2138737,-139.8847081,-83.23908658,97.41740431,-154.3211615,40.92061498,0,0,0,1.718890909,-0.080206281,0.16209395,-0.254877884,-0.269062017,-0.417393223,0,0,0,2.077777484,-1.109015116,-0.092372595,0.43075054,-0.680787237,0.412535667,0,0,0,11.97845018,-6.92140965,0.080893912,2.20430017,-3.802884944,2.449875422,0,0,0,33.5,0.25,3.5,-0.5,-8,-12,0,0,0,0.024363991,-0.012799357,-4.41E-05,-3.26E-04,0.001031321,-0.001670788,0,0,0,41.08573552,-0.679906866,-4.347739123,1.690980622,-12.50002546,-10.13035838,0,0,0,43.47398852,-13.98847081,-5.202442911,6.958386022,-17.14679572,6.820102497,0,0,0,0.15626281,-0.008020628,0.010130872,-0.018205563,-0.02989578,-0.069565537,0,0,0,0.188888862,-0.110901512,-0.005773287,0.030767896,-0.075643026,0.068755945,0,0,0,1.088950016,-0.692140965,0.005055869,0.157450012,-0.422542772,0.40831257,0,0,0,3.045454545,0.025,0.21875,-0.035714286,-0.888888889,-2,0,0,0,-0.525339099,-0.00181001,-0.013368531,0.042329709,-0.068576131,0,0,0,-0.01654849,-0.105821134,0.041157365,-0.304242465,-0.246566314,0,0,0,-0.321766447,-0.119667946,0.160058607,-0.394415058,0.156877773,0,0,0,-0.051327812,0.064832265,-0.116506053,-0.191317305,-0.44518294,0,0,0,-0.587125733,-0.030564466,0.162888883,-0.400463138,0.364002111,0,0,0,-0.635603981,0.004642885,0.144588833,-0.388027701,0.374959883,0,0,0,0.008208955,0.071828358,-0.011727079,-0.291873964,-0.656716418,0,0,0,1.422004593,0.928222569,0.838661501,0.954497355,0.932775959,0,0,0,0.856422525,1.051124124,0.83235228,1.167340119,1.243132629,0,0,0,1.520355833,0.97620729,0.717082541,1.28005586,0.436244454,0,0,0,0.76086504,0.99163143,0.889099888,1.026183668,1.640365881,0,0,0,1.997041977,0.881150232,0.657904159,1.287615959,0.021995778,0,0,0,2.065310227,0.858184013,0.654773367,1.272071664,8.02E-05,0,0,0,0.537313433,0.673973881,0.546375267,1.674958541,2.686567164,0,0,0,11.73234806,6.116174032,9.984896923,12.03234806,2.406469613,6.12238366,0.5,0.146247601,0.02924952,-0.961227098,14.7503789,2.950075781,1.345634385,11.74144371,6.119987436,9.991736201,12.04056241,2.408112482,6.126170432,0.498531158,0.146050395,0.029210079,-0.961901773,14.75429709,2.950859418,1.345767184,19.81876006,9.510385553,16.22137667,19.33996669,3.867993338,9.510537475,-0.797988956,0.050938356,0.010187671,-1.488569545,25.83205647,5.166411294,1.62580811,11.75098985,6.123989725,9.998915006,12.04918361,2.409836722,6.130144895,0.4969896,0.145843796,0.029168759,-0.962609559,14.75842874,2.951685747,1.34590718,28.38492036,13.11016591,22.94417996,27.08616724,5.417233448,13.1101694,-2.164588529,0.015775577,0.003155115,-2.074646159,27.85026337,5.570052674,1.663421212,12.68527407,6.51577122,10.70508757,12.89303509,2.578607018,6.519736696,0.346268372,0.127344691,0.025468938,-1.030428884,15.25139346,3.050278692,1.362335437,9.803415862,5.187246814,8.382972459,10.03516189,2.007032379,5.207541313,1.158730159,0.288140053,0.057628011,-0.622154311,13.82468068,2.764936135,1.313227725,0,11.98884382,16.00602341,-0.344469198,0.32257716,2.884879456,5.043256605,4,10,9,9,3,1,1,0,0,1,9.433242,3.360015655,2.885254517,1.90861313,0.989656009,0.401928878,0.083923071,0.083923071,0.083923071,1.659643377,1.161615331,0.808382322,0.083923071,0.083923071,0.083923071,0.401928878,0.989656009,3.211185248,2.78729757,1.862326986,0.608554846,0.375216508,0.270913902,0.270913902,0.270913902,1.644050761,1.250627388,0.707563095,0.270913902,0.270913902,0.270913902,0.375216508,0.608554846,3.464729015,3.057099653,2.255557025,1.230834187,1.030423164,0.943918427,0.943918427,0.943918427,1.36622523,0.923959868,0.2553771,0.943918427,0.943918427,0.943918427,1.030423164,1.230834187,3.194179308,2.753729913,1.8975216,0.460348196,0.417568988,0.399277246,0.399277246,0.399277246,1.649110751,1.272269255,0.643657221,0.399277246,0.399277246,0.399277246,0.417568988,0.460348196,3.487884911,3.091925404,2.382316041,1.20895283,1.208035068,1.207644823,1.207644823,1.207644823,1.320055456,0.898800713,0.118551471,1.207644823,1.207644823,1.207644823,1.208035068,1.20895283,4.619467929,3.284296746,2.467092571,1.634164694,0.996947921,0.545454545,0.545454545,0.545454545,1.469424421,0.710069255,0.458839821,0.545454545,0.545454545,0.545454545,0.996947921,1.634164694,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,3.100953631,1.467186437,0.551566846,0.234708048,0.068041382,0,0,0,0.620190726,0.366796609,0.183855615,0.117354024,0.068041382,0,0,0,6.05508162,11.32483613,10.8745098,11.08,6.356142515,85.39380719,0.550461965,1.029530557,0.9885918,1.007272727,0.577831138,7.763073381,0.1793,17.69,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,2,0,0,1,0,0,0,0,0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33541667,0.430555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844097222,0,0,0.932638889,0,0,0.844097222,0,0,0,0,0,0,0,0,1.758333333,0,0.475694444,0,0.430555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.182638889,4.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.152777778,0.430555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844097222,0,0,0.376736111,0,0,0.844097222,0,0,0,0,0,0,0,0,1.758333333,0,0.475694444,0,0.430555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.182638889,4.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.182638889,0.430555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844097222,0,0,0.555902778,0,0,0.844097222,0,0,0,0,0,0,0,0,1.758333333,0,0.475694444,0,0.430555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.182638889,4.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,3.2,0.844097222,9.182638889,0.376736111,0.430555556,1.109440278,1.569444444,2.182638889,5.670833333,1.569444444,2.182638889,5.670833333,2.16666,0.43333,0,0.06667,0.62121,1.00667,0.41765,0.62121,1.00667,0.20357,0,-0.20357,0,0.43046,0.28383,0,0.38462,0,0,4.25,0.85,2.75,0.55,1.5,0.3,-1.25,-0.25,0,0,2.04916,0.40983,4.09272,2.04356,0.40871,1.28018,0.25604,2.41421,1.13403,0.22681,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4.02,2,2,2,2,0,0,0.666666667,1.435371391,2.404009757,2.845350937,2.845350937,2.21636337,1.140206417,15.7890853,26.44410733,31.2988603,31.2988603,24.37999707,12.54227059,0.414915382,0.694914663,0.822490874,0.822490874,0.640672692,0.32959357,2.024060228,1.055421861,0.614080682,0.614080682,1.243068249,2.319225201,0.414915382,0.694914663,0.822490874,0.822490874,0.640672692,0.32959357,13.7677779,22.22042631,22.665221,22.665221,13.86099438,5.862475077,19.2185484,13.5925177,13.43527774,13.43527774,9.032364775,4.364100603,5,4,4,5,3,2,1.57,0.6057,0,1.154700538,0,0,0.5,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.428,0.418,0.582,0.072,1.884,3,2,1,0,0,0,0,0,0,15,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,0,0,2.995732274,1.266666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.5,3,0.75,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,26.3,75.38840728,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,74.03677943,6.730616312,8.849873734,1.769974747,5.069543648,5.069543648,0,20,2,0.428,14,1.2149,2.073835806,2.791103301,3.615141626,4.683049858,0,0,0,0,0,105.9228819,101.1476057,100.6797087,132.9360923,42.41261291,0,0,0,0,0,260.640344,268.1470616,327.6061153,440.4030184,272.4769301,0,0,0,0,0,9.86295264,17.14330653,21.64811396,28.9123469,38.32225806,0,0,0,0,0,1.697145792,1.909759585,2.462417575,3.323255777,2.306798346,0,0,0,0,0,182.1059639,349.3549375,477.060865,596.2050496,866.6429758,0,0,0,0,0,5.04505,8.704602215,7.818788028,16.86534202,19.6342168,0,0,0,0,0,0.43544475,0.52107961,0.629302513,0.889577738,0.734710888,0,0,0,0,0,194.3708284,122.3637882,15.14409105,106.3096792,-66.92596404,-23.57465867,88.06114919,189.2897523,38.71874972,0.646436412,0.406956172,0.050366055,0.353563588,-0.222581652,-0.078404346,58.44351931,36.79240595,4.553532982,31.96524828,-20.12333283,-7.088440334,0.394171817,0.506022106,11.2805166,11.98989799,193.1757796,107.5047279,0.642461931,0.357538069,398.5825952,19.96453343,7.359349758,456.7048117,21.37065305,7.700965819,550.3960226,23.46052051,8.195178717,1.920448293,1.920448293,216.4133568,204.37529,18.73814835,1.058901772,11.5493459,10.90690959,2.823596658,3.096569067,5.24966505,0.695316634,1.686629378,1.404000071,3.370021215,2.73818416,2.716285726,1.3633049,0.423900537,2.646003722,0.003926099,0.003796744,7.08E-25,2.55E-68,1.77E-133,2.37E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.158054637,1.555109913,0.358061345,0.391556347,0.10157503,1.126357022,0.035529238,0.759346299,4.39E-04,4.24E-04,7.92E-26,2.85E-69,1.98E-134,2.64E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.462802197,1.274017501,0.659941414,0.759610186,0.294011504,0.969868292,0.114722136,0.607991843,7.60E-04,7.35E-04,1.37E-25,4.93E-69,3.42E-134,4.58E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.597155652,1.554579655,4.053931416,2.637660475,2.707493394,1.534543773,0.40009745,2.865265807,0.004931328,0.004768851,8.89E-25,3.20E-68,2.22E-133,2.97E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.674503544,1.167203135,0.714905315,1.046295724,0.458480445,0.907529697,0.169109477,0.606803378,7.53E-04,7.28E-04,1.36E-25,4.89E-69,3.39E-134,4.54E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.036872267,1.499406149,4.831744399,3.369780766,3.963102509,1.580346877,0.512072396,3.736907115,0.005734095,0.005545177,1.03E-24,3.72E-68,2.58E-133,3.46E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.967832799,1.596219442,4.227905079,1.73888637,1.393591301,2.428299739,0.252067964,4.122574491,0.008176731,0.007907267,1.47E-24,5.31E-68,3.68E-133,4.93E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.862592702,0.560024601,0.302184559,0.768522141,0.150350172,0.5565497,0.50728325,0.363622336,3.724801862,2.637384437,6.846625115,0.652783211,1.427455285,3.362159057,0.24397619,0.045230394,0.920794954,0.066817792,0.768714844,0.052738365,0.008146419,3.651365642,0.983393677,4.671861213,0.881192431,0.829599629,2.871823073,0.379300047,0.148722352,0.844692236,0.111563908,0.550015251,0.184966465,0.088076186,3.399845473,1.572797304,5.134643451,0.767038354,0.823057902,2.968896717,0.55655532,0.277055957,0.780773301,0.146365326,0.591449812,0.46006006,0.305661682,3.802507994,2.629102751,6.889405614,0.671159951,1.357171553,2.704158443,0.425725098,0.208807402,0.809945721,0.127512581,0.493237463,0.282215551,0.173619216,3.338690943,1.804770968,5.383846863,0.714918582,0.94907223,2.897970508,0.583714242,0.316964987,0.762894899,0.153663613,0.57052144,0.551632411,0.400063193,3.798649737,2.795158821,7.129982303,0.644342349,1.522217045,3.034101692,0.558817218,0.281812566,0.783048247,0.144220889,0.617958124,0.465886877,0.316247225,3.874731477,2.708037966,7.060584978,0.674572371,1.400092226 +UMLKV0197,L,ETHYL ACETATE,CCOC(=O)C,C4H8O2,"Acetyl (has 2 C-O bonds, formed by reaction of aldehyde & alcohol)",oxygen compounds,141-78-6,2.457807555,PubChem,,0.4238,0,0.2715,0.07371225,21.7066,13.978344,0,0,14,6,8,0,4,0,2,0,0,0,0,0,0,0,1097.120998,961.876913,1112.947225,656.145719,465.538798,127.119888,9.144576,0,0,2375.519116,2673.115241,2847.602588,2303.861681,1808.166596,1120.963057,279.7536999,0,0,110.613208,102.12374,173.906524,164.901476,93.457792,111.43008,60.466176,0,0,15.99891124,18.50417448,20.54030479,16.62481792,14.10613045,10.95324725,4.001516144,0,0,2357.421212,1938.599079,3662.048126,3489.341538,1875.48662,2583.794029,1664.258868,0,0,82.27777778,44.08333333,82.5,68.16666667,45.5,39,9,0,0,78.36578557,73.99053177,50.58851023,32.80728595,38.79489983,8.4746592,1.016064,0,0,169.6799369,205.6242493,129.4364813,115.193084,150.6805497,74.73087045,31.08374443,0,0,7.900943429,7.855672308,7.904842,8.2450738,7.788149333,7.428672,6.718464,0,0,1.142779374,1.423398037,0.933650218,0.831240896,1.175510871,0.730216483,0.444612905,0,0,168.3872294,149.1230061,166.456733,174.4670769,156.2905516,172.2529352,184.917652,0,0,5.876984127,3.391025641,3.75,3.408333333,3.791666667,2.6,1,0,0,0.254203649,-0.15882378,0.096209706,-0.068068842,0.007294714,-0.01130363,0.007590008,0,0,542.6447669,-9.890012082,144.5633905,-233.6322798,-256.1662173,-167.6054705,251.4082057,0,0,629.6301992,-143.8356513,-40.61216131,114.572451,-338.7484469,-187.6174178,281.4261267,0,0,1.814294857,-0.039616653,0.638133796,-1.312404082,-0.308172735,-0.22982449,0.344736735,0,0,2.75181886,-1.091395773,-0.788723353,1.458397135,-1.234996041,-0.561617205,0.842425808,0,0,15.67280268,-6.74289231,-5.063498695,8.981314929,-6.338957466,-2.655264405,3.982896608,0,0,35.22222222,-2.055555556,13.13888889,-18.61111111,-6.75,-9.583333333,6.25,0,0,0.018157403,-0.012217214,0.004373168,-0.003403442,6.08E-04,-7.54E-04,8.43E-04,0,0,38.76034049,-0.76077016,6.571063205,-11.68161399,-21.34718478,-11.17369803,27.93424508,0,0,44.97358566,-11.06428087,-1.846007332,5.728622548,-28.22903724,-12.50782785,31.26956963,0,0,0.12959249,-0.003047435,0.029006082,-0.065620204,-0.025681061,-0.015321633,0.038304082,0,0,0.19655849,-0.083953521,-0.035851061,0.072919857,-0.102916337,-0.037441147,0.093602868,0,0,1.119485906,-0.518684024,-0.230159032,0.449065746,-0.528246455,-0.177017627,0.442544068,0,0,2.515873016,-0.158119658,0.597222222,-0.930555556,-0.5625,-0.638888889,0.694444444,0,0,-0.672850272,0.240847676,-0.187441013,0.033479063,-0.041502374,0.046445752,0,0,-0.019627541,0.169530585,-0.301380582,-0.550748123,-0.288276571,0.720691427,0,0,-0.246017317,-0.041046479,0.127377492,-0.627680378,-0.278114979,0.695287449,0,0,-0.023515521,0.223825329,-0.506358078,-0.19816782,-0.118229325,0.295573314,0,0,-0.427117246,-0.182393859,0.370982992,-0.523591409,-0.190483489,0.476208723,0,0,-0.463323407,-0.205593505,0.401135686,-0.471865213,-0.158124034,0.395310084,0,0,-0.062848823,0.237381703,-0.369873817,-0.223580442,-0.253943218,0.276025237,0,0,1.613610642,0.893043612,1.617608226,0.91549754,0.468206565,0.00165208,0,0,0.936377319,0.798032065,1.365897701,1.431307832,1.118449427,0,0,0,1.512288748,0.971940575,0.637853576,1.722619124,1.101936842,0,0,0,0.73392701,0.801018741,1.974491569,0.976238781,0.842122654,0,0,0,1.873609202,1.111058248,0.34613845,1.740332905,0.95953567,0,0,0,1.9272959,1.138871163,0.342075886,1.703683056,0.906951555,0,0,0,0.605678233,0.489550473,1.633201893,1.554514984,1.402523659,0,0,0,16.84647719,8.673238597,13.50248895,17.17981053,2.863301754,8.6737581,0.5,0.138045683,0.023007614,-1.188102366,33.39584671,5.565974452,2.105058925,16.85693926,8.677735208,13.51049598,17.18929336,2.864882227,8.678252139,0.498531158,0.138045073,0.023007512,-1.18810502,33.35139387,5.558565644,2.10425974,26.16101524,12.68151314,20.75090572,25.62902261,4.271503768,12.68152022,-0.797988956,0.134599536,0.022433256,-1.203270784,21.44338249,3.573897081,1.839249653,16.86791952,8.68245456,13.51890017,17.19924592,2.866540987,8.682968807,0.4969896,0.138044408,0.023007401,-1.18810791,33.30499477,5.550832462,2.103424427,36.04994699,16.94267923,28.54457003,34.60688797,5.767814662,16.94267932,-2.164588529,0.131307131,0.021884522,-1.218129715,19.2520098,3.208668301,1.774569276,17.94274762,9.144507998,14.34415459,18.17359321,3.028932201,9.144817474,0.346268372,0.137877817,0.022979636,-1.18883242,29.74274195,4.957123659,2.035551081,14.42402324,7.550158848,11.56838687,14.81436715,2.469061192,7.552167386,1.171031746,0.189552686,0.031592114,-0.99785296,26.35876116,4.393126859,1.963080427,0,11.89,15.99591665,-0.316136138,0.301574525,3.564559116,5.371655696,5,13,12,12,4,1,1,0,0,1,11.619656,3.464303476,2.988931659,2.156792645,1.871608884,0.975017564,0.083923071,0.083923071,0.083923071,1.68037713,1.517089532,0.880768565,0.462591843,0.083923071,0.083923071,0.083923071,0.083923071,3.311505586,2.986447552,2.091399675,1.791282882,0.604479396,0.270913902,0.270913902,0.270913902,1.687348819,1.463379376,0.832480086,0.559566896,0.270913902,0.270913902,0.270913902,0.270913902,3.544302816,3.194266857,2.469818598,2.191952141,1.226945938,0.943918427,0.943918427,0.943918427,1.425767249,1.192076756,0.39475822,0.121603281,0.943918427,0.943918427,0.943918427,0.943918427,3.281542994,3.004406769,2.090935875,1.806075826,0.459593993,0.399277246,0.399277246,0.399277246,1.703074869,1.425711365,0.806818062,0.548640381,0.399277246,0.399277246,0.399277246,0.399277246,3.555042826,3.268151891,2.559803887,2.292211108,1.208936353,1.207644823,1.207644823,1.207644823,1.397494522,1.120111268,0.300679433,0.024154227,1.207644823,1.207644823,1.207644823,1.207644823,4.677437293,3.314794277,2.783647698,2.406435656,1.516452803,0.558139535,0.558139535,0.558139535,1.465304359,1.227042719,0.54380869,0.072271763,0.558139535,0.558139535,0.558139535,0.558139535,0,0,1,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.083333333,0,0,0,0.288675135,0.288675135,0,0.058925565,0.058925565,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.023603362,1.904030206,0.924594326,0.3476007,0.203263132,0,0,0,0.67060056,0.380806041,0.184918865,0.1158669,0.101631566,0,0,0,7.596909424,14.21267298,13.6,13.84,8.154697006,108.4220623,0.542636387,1.015190927,0.971428571,0.988571429,0.582478358,7.74443302,0.5694,22.307,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.22430556,-0.210648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.932638889,0.5125,0,0,0,0,0,0,0,0,0,0,3.171527778,0,0.481481481,0,0,0,0,0,0,-0.210648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.821527778,4.402777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.402777778,-0.210648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.376736111,0.5125,0,0,0,0,0,0,0,0,0,0,1.392361111,0,0.481481481,0,0,0,0,0,0,-0.210648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.821527778,4.402777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.821527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,1.779166667,0,0.481481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.821527778,4.402777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.66666667,2.944444444,0.705208333,9.821527778,0.368055556,-0.210648148,1.631875463,1.877314815,2.821527778,7.448611111,1.877314815,2.821527778,7.448611111,2.66666,0.44444,0,0.05556,0.58095,0.95556,0.42,0.58095,0.95556,0.16095,0,-0.16095,0,0.46511,0.24918,0,0.5,0.1875,0,4.75,0.79167,3.25,0.54167,1.5,0.25,-1.75,-0.29167,0,0,3.2705,0.54508,5.69868,2.42819,0.4047,1.63222,0.27204,2.77005,1.13783,0.18964,0.14395,0.02399,0.14395,0.02399,0,5.02,2,2,2,2,0,0,0.75,1.378783493,2.093069208,2.985228136,2.842370993,2.284702784,2.026509224,19.30296891,29.30296891,41.7931939,39.7931939,31.98583898,28.37112914,0.362136843,0.549743654,0.784068782,0.74654742,0.600076124,0.532261705,2.428571429,1.714285714,0.822126786,0.964983929,1.522652138,1.780845698,0.362136843,0.549743654,0.784068782,0.74654742,0.600076124,0.532261705,13.07637292,22.21850358,23.11764368,21.40335796,18.33583888,10.52658403,22.5008675,14.56892228,14.53762001,16.08678137,12.64792174,10.64770291,6,3.2,5.333333333,6,3,2,1.68,0.7466,0.25,1.154700538,1.154700538,0,0,0.5,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,2.36,5,3,2,0,0,0,0,0,0,21,1.945910149,2.079441542,1.609437912,1.386294361,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,26.3,92.6843919,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,88.0524295,6.28945925,10.67917749,1.779862916,5.080776528,5.080776528,0,32,3,0.664,20,1.221846154,2.078999796,2.830771557,3.777853318,4.635781096,5.370356959,0,0,0,0,100.2979812,115.9679341,99.84953382,158.2629812,40.46203162,5.456626373,0,0,0,0,269.2995502,286.4956828,348.0718045,602.2803799,357.5136967,166.9308032,0,0,0,0,9.680924144,16.62232648,23.37184143,28.9619464,34.40247273,36.0805499,0,0,0,0,1.819896743,2.014854248,2.488268255,4.698747578,3.48483683,2.387730008,0,0,0,0,181.018701,343.4510096,491.2454865,581.1755541,793.6276623,993.0737994,0,0,0,0,4.273294872,8.348009857,9.738063985,13.47333783,11.99623737,5.370356959,0,0,0,0,0.441346154,0.540219673,0.667026033,1.097091202,0.842366142,0.549924553,0,0,0,0,348.3656134,217.0979195,14.25304049,137.157861,-85.47538885,-21.77868886,211.2077524,302.5733084,36.03172935,0.717505191,0.447141963,0.029356028,0.282494809,-0.176047902,-0.044856099,169.139683,105.4061362,6.920185739,66.59336121,-41.50030777,-10.57406468,0.414494309,0.507239415,2.815622003,10.55973553,411.5774028,73.94607157,0.847698257,0.152301743,461.8214523,21.49003146,7.729618049,539.317741,23.22321556,8.139821894,717.211036,26.78079603,8.951221855,1.502967545,1.155384845,278.2949217,227.119433,61.24641872,1.22532413,4.543856237,3.708289199,3.347515573,3.096569067,6.125551212,0.97817361,2.244430485,2.395993765,2.761524695,4.78071977,4.657226693,1.486647586,2.233681774,3.498391828,0.960777144,0.207703042,0.601113613,1.63E-06,1.24E-33,1.81E-82,5.12E-153,2.79E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.204867018,2.547043108,0.26159445,2.944470831,0.318548637,1.311254213,1.344775727,0.437941494,0.006776461,0.017429945,0.004233692,1.15E-08,8.71E-36,1.28E-84,3.60E-155,1.96E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.613918271,2.265954817,0.555912049,2.131588145,0.669872712,1.345010252,0.888490631,0.792860717,0.070535302,0.056266734,0.044118338,1.19E-07,9.08E-35,1.33E-83,3.76E-154,2.05E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.123674396,2.546566734,3.097921938,5.527152078,5.145387282,1.482295197,2.44508669,3.960244119,0.856039984,0.19605395,0.535581407,1.45E-06,1.10E-33,1.61E-82,4.56E-153,2.49E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.897220834,2.159145722,0.681679414,1.913332494,0.830653324,1.366987717,0.789940365,0.927806479,0.153192354,0.082927567,0.095830926,2.60E-07,1.97E-34,2.89E-83,8.16E-154,4.45E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.710497886,2.491427638,3.834716159,5.970728574,6.797863976,1.531734797,2.888157537,4.845569756,1.401180393,0.250835196,0.876667711,2.37E-06,1.80E-33,2.64E-82,7.46E-153,4.07E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.351294118,2.674879431,2.314930608,10.1015163,3.70273132,1.408627387,4.79021694,5.48747938,0.299330475,0.129402609,0.187258757,5.07E-07,3.85E-34,5.64E-83,1.59E-153,8.69E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.184515725,0.787546369,0.35688345,0.785242726,0.14778653,0.630708722,0.400736802,0.428556793,5.328945544,5.069946839,11.57500185,0.677864089,1.460002317,2.604642182,0.685544955,0.057162273,0.778120794,0.204802329,0.257414561,0.274903497,0.010994476,3.347349411,1.973673884,5.423092211,0.667181191,0.543312534,3.445066606,0.646810414,0.178175829,0.806797182,0.151475974,0.42894457,0.273499915,0.106820139,4.270052849,2.957378538,7.62446147,0.710195773,0.809264624,3.97749982,0.816944218,0.331828088,0.775904931,0.159364192,0.57010864,0.434180704,0.370494578,5.126272127,4.840326679,11.0448395,0.663857396,1.374783923,3.862265338,0.633260225,0.244636456,0.81479606,0.133594637,0.537409258,0.260306348,0.20137146,4.740162019,3.545588458,8.884086973,0.72219409,0.999087066,4.227859883,0.817198094,0.375240317,0.780005021,0.150766259,0.643841721,0.431329673,0.473777635,5.420298294,5.348108196,12.06486143,0.670007531,1.548949029,4.04036505,0.832682373,0.336194554,0.775614776,0.159847129,0.588325343,0.451304312,0.380309273,5.209241978,5.002632766,11.34294779,0.663422164,1.419938928 +UMLKV0198,L,N-PROPYL FORMATE,CCCOC=O,C4H8O2,"Acetyl (has 2 C-O bonds, formed by reaction of aldehyde & alcohol)",,110-74-7,2.471411873,PubChem,,0.4763,0,-0.3851,0.14830201,21.1666,13.978344,0,0,14,6,8,0,4,0,2,0,0,0,0,0,0,0,1097.120998,961.876913,915.212312,667.863427,461.512846,274.878453,51.429168,0,0,2375.519116,2673.115241,2882.256875,2421.733542,1729.194362,987.8707177,339.2921252,0,0,110.613208,102.12374,174.002312,170.676316,140.030848,70.883676,48.568896,0,0,15.99891124,18.50417448,21.94437926,19.8915995,13.6996161,7.752279022,2.938142673,0,0,2357.421212,1938.599079,3635.811623,3878.006468,3144.767927,1506.037377,1110.305786,0,0,81.75,45.5,72.75,51.5,52.5,38,24,0,0,78.36578557,73.99053177,41.60055964,29.0375403,25.63960256,30.54205033,8.571528,0,0,169.6799369,205.6242493,131.0116761,105.2927627,96.06635342,109.7634131,56.54868753,0,0,7.900943429,7.855672308,7.909196,7.420709391,7.779491556,7.875964,8.094816,0,0,1.142779374,1.423398037,0.997471784,0.864852152,0.761089783,0.861364336,0.489690445,0,0,168.3872294,149.1230061,165.2641647,168.6089769,174.7093293,167.3374863,185.0509644,0,0,5.839285714,3.5,3.306818182,2.239130435,2.916666667,4.222222222,4,0,0,0.272820264,-0.129081049,-0.011836294,0.022127831,-0.026449619,0.017964141,-0.009135141,0,0,542.6447669,-9.890012082,-122.4165452,78.67073473,-35.48590767,-112.1109693,-70.08968394,0,0,629.6301992,-143.8356513,-173.5132935,7.295377795,115.1360216,-154.2692894,34.37173529,0,0,1.814294857,-0.039616653,0.304613796,0.038731592,-0.551193959,-0.26596098,-0.393721224,0,0,2.75181886,-1.091395773,-0.360507311,-0.418016937,0.737158227,-0.680666776,0.43751914,0,0,15.67280268,-6.74289231,-1.060323982,-3.05919925,4.13256659,-3.800946865,2.694394479,0,0,35.30357143,1.200255102,4.576530612,3.036989796,-8.908163265,-6.820153061,-10.7372449,0,0,0.019487162,-0.009929311,-5.38E-04,9.62E-04,-0.001469423,0.001996016,-0.001522524,0,0,38.76034049,-0.76077016,-5.564388418,3.420466728,-1.971439315,-12.45677436,-11.68161399,0,0,44.97358566,-11.06428087,-7.886967887,0.317190339,6.396445642,-17.14103216,5.728622548,0,0,0.12959249,-0.003047435,0.013846082,0.001683982,-0.030621887,-0.02955122,-0.065620204,0,0,0.19655849,-0.083953521,-0.016386696,-0.018174649,0.040953235,-0.075629642,0.072919857,0,0,1.119485906,-0.518684024,-0.048196545,-0.133008663,0.229587033,-0.422327429,0.449065746,0,0,2.521683673,0.092327316,0.208024119,0.132043035,-0.494897959,-0.757794785,-1.789540816,0,0,-0.509530923,-0.027608606,0.049369919,-0.075404684,0.102427212,-0.078129567,0,0,-0.019627541,-0.143558812,0.08824656,-0.050862281,-0.321379384,-0.301380582,0,0,-0.246017317,-0.175368892,0.007052814,0.142226721,-0.381135547,0.127377492,0,0,-0.023515521,0.106843241,0.012994443,-0.236293682,-0.228031887,-0.506358078,0,0,-0.427117246,-0.08336804,-0.092464332,0.208351391,-0.384769143,0.370982992,0,0,-0.463323407,-0.043052391,-0.118812271,0.205082558,-0.377251225,0.401135686,0,0,0.036613361,0.082494137,0.052363045,-0.196256955,-0.300511437,-0.709661103,0,0,1.429234108,0.905053019,0.62759496,1.141943671,1.158876343,1.181538824,0,0,0.936377319,1.091348535,0.755052161,1.000029274,1.263888889,1.345950072,0,0,1.512288748,1.123567081,0.914220047,0.646405612,1.263888889,0.430734733,0,0,0.73392701,0.903690586,0.637766906,1.300670856,1.263888889,2.020340291,0,0,1.873609202,1.061254792,0.985375572,0.507071891,1.263888889,0.021590459,0,0,1.9272959,1.032355214,0.989116571,0.506009952,1.263888889,7.97E-05,0,0,0.516944866,0.629765025,0.402256383,1.260692407,2.066205811,3.314112291,0,0,18.78110921,9.640554603,15.70291645,19.11444254,3.185740423,9.640759656,0.5,0.156922928,0.026153821,-1.1112003,29.21534925,4.869224875,2.024816538,18.79157672,9.645053939,15.71054636,19.12393083,3.187321804,9.645257979,0.498531158,0.156648405,0.026108067,-1.112250867,29.09693149,4.849488582,2.022379633,28.10937904,13.65569504,22.84707154,27.5773864,4.596231067,13.65569782,-0.797988956,0.003660848,6.10E-04,-3.366036298,17.34279226,2.890465377,1.711906193,18.80256273,9.649776166,15.71855564,19.13388913,3.188981522,9.649979149,0.4969896,0.156360576,0.026060096,-1.113354332,28.97490388,4.829150646,2.019858043,38.02660469,17.93100808,30.76521523,36.58354567,6.097257611,17.93100811,-2.164588529,0.077259494,0.012876582,-1.536351282,18.19598596,3.032664326,1.740720611,19.87809612,10.11218225,16.50941152,20.1089417,3.351490283,10.11230455,0.346268372,0.129603,0.0216005,-1.225967609,22.64973746,3.774956244,1.872088957,17.64461189,9.0557028,15.08751983,18.01842612,3.00307102,9.056182134,1.166666667,0.308685185,0.051447531,-0.705260003,15.79026868,2.631711447,1.655636307,0,11.98878783,16.00602373,-0.344469028,0.322589935,2.965925221,5.713902765,5,13,12,12,4,1,1,0,0,1,11.619656,3.407230769,3.048961133,2.368608496,1.524404302,0.968506347,0.401822121,0.083923071,0.083923071,1.760028632,1.279488648,1.036418395,0.643847264,0.083923071,0.083923071,0.083923071,0.083923071,3.323351524,2.908231883,2.346379032,1.53050422,0.607904046,0.375212613,0.270913902,0.270913902,1.722207517,1.348553177,0.99813503,0.509433777,0.270913902,0.270913902,0.270913902,0.270913902,3.528300473,3.185509401,2.64594575,1.966800416,1.230291843,1.030420903,0.943918427,0.943918427,1.483757124,1.022553038,0.634514578,0.009444774,0.943918427,0.943918427,0.943918427,0.943918427,3.326506116,2.85941641,2.370065407,1.589092172,0.460343952,0.417568966,0.399277246,0.399277246,1.708912048,1.379823675,0.954907591,0.421761685,0.399277246,0.399277246,0.399277246,0.399277246,3.567287584,3.202841031,2.743386413,2.131521259,1.20895283,1.208035068,1.207644823,1.207644823,1.429837572,1.006403272,0.536214796,0.159782894,1.207644823,1.207644823,1.207644823,1.207644823,4.769436248,3.395425947,2.852923612,2.050997965,1.554983955,1.043386634,0.571428571,0.571428571,1.607447149,0.930544438,0.561550066,0.281898422,0.571428571,0.571428571,0.571428571,0.571428571,0,0,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,3.808060412,1.967186437,0.967015857,0.390016657,0.165963653,0.048112522,0,0,0.634676735,0.393437287,0.241753964,0.130005552,0.082981826,0.048112522,0,0,7.596909424,14.21267298,13.6,13.84,8.154697006,108.4220623,0.542636387,1.015190927,0.971428571,0.988571429,0.582478358,7.74443302,0.5694,22.307,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,0,0,1,0,0,0,0,0,0,0,0,1,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.64361111,0.461805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.834097222,0,0,1.239861111,0,0,0.834097222,0,0,0,0,0,0,0,0,1.947916667,0,1.446666667,0,0.461805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.341527778,4.302083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.302083333,0.461805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.834097222,0,0,0.307222222,0,0,0.834097222,0,0,0,0,0,0,0,0,1.947916667,0,0.545138889,0,0.461805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.341527778,4.302083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.341527778,0.461805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.834097222,0,0,0.555902778,0,0,0.834097222,0,0,0,0,0,0,0,0,1.947916667,0,0.901527778,0,0.461805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.341527778,4.302083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.5,2.916666667,0.834097222,9.341527778,0.307222222,0.461805556,1.668098889,1.538194444,2.341527778,6.287222222,1.538194444,2.341527778,6.287222222,2.66666,0.44444,0,0.05556,0.58095,0.95556,0.42,0.58095,0.95556,0.16095,0,-0.16095,0,0.46511,0.24918,0,0.3125,0,0,4.75,0.79167,3.25,0.54167,1.5,0.25,-1.75,-0.29167,0,0,3.08636,0.51439,5.31294,2.22659,0.3711,1.80205,0.30034,2.91421,1.11216,0.18536,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5.02,2,2,2,2,0,0,0.75,1.378783493,2.403677461,3.182005815,3.182005815,2.910051892,1.965093343,19.30296891,33.65148445,44.54808141,44.54808141,40.74072648,27.5113068,0.362136843,0.631324768,0.835752348,0.835752348,0.764323776,0.516130853,2.428571429,1.403677461,0.625349107,0.625349107,0.89730303,1.842261579,0.362136843,0.631324768,0.835752348,0.835752348,0.764323776,0.516130853,13.07637292,22.53154235,23.31596115,23.31596115,20.05251407,12.03499828,22.5008675,14.65011084,14.1829945,14.1829945,12.55127096,7.941814632,6,5,5.333333333,6,3,3,1.68,0.7466,0,1.5,0,0,1.650963624,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.428,0.418,0.582,0.072,2.383,4,3,2,1,0,0,0,0,0,21,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,0,3.295836866,1.238095238,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.6,4,0.8,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,26.3,92.6843919,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,88.0524295,6.28945925,10.83915043,1.806525072,5.168655301,5.168655301,0,35,3,0.786,18,1.222923077,2.097590545,2.825184165,3.56594496,4.908909168,5.674216809,0,0,0,0,100.4533425,94.72081345,97.97992508,113.6825814,170.10844,52.95330147,0,0,0,0,269.7556453,290.6313252,323.2235993,393.059517,570.2160403,335.4181632,0,0,0,0,9.6890447,16.67743812,21.13536594,28.2971872,38.93591839,46.71807944,0,0,0,0,1.822900174,2.179309418,2.549244041,2.960304876,4.356294017,2.80436349,0,0,0,0,181.1552488,343.9689505,473.63898,615.8467693,816.354659,1050.095457,0,0,0,0,4.40125,7.153986709,6.773527874,11.47075376,21.9369967,24.41082943,0,0,0,0,0.441951923,0.545499933,0.630660727,0.783475501,1.164248458,0.900811323,0,0,0,0,229.1559494,156.5800003,15.74048288,106.8089142,-72.98147777,-22.00043814,122.3470351,229.5614781,37.74092102,0.682083081,0.466060643,0.046851575,0.317916919,-0.217229495,-0.065484342,76.98834728,52.60537846,5.288249183,35.8840423,-24.51921223,-7.3913742,0.363177192,0.46580917,10.39350398,7.402269706,236.2633446,99.701519,0.703238256,0.296761744,460.6641644,21.46308842,7.723156045,538.160453,23.19828556,8.13399548,661.8101688,25.7256714,8.71454022,2.195270062,2.195270062,380.271464,365.5138287,24.78695,1.04037504,15.34159967,14.74622044,3.28311428,3.393689965,6.490572057,0.912541253,2.244430485,2.352517379,3.670376836,7.78993835,1.948495585,1.290155412,0.721057789,1.621975721,0.01085368,2.630012955,0.125705394,1.982301551,1.07E-11,1.12E-44,2.25E-99,8.74E-176,6.54E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,0.204867018,2.503585116,0.380201041,1.489764589,0.015619199,1.140175904,0.061092754,0.742505383,0.001600588,0.073390631,0.164356107,0.221597449,1.20E-12,1.25E-45,2.52E-100,9.77E-177,7.32E-275,0,0,0,0,0,0,0,0,0,0,0,0,0,0.613918271,2.222495596,0.733439953,2.191709267,0.147878553,0.954165512,0.193904792,0.594909292,0.003105187,0.333765543,0.088535631,0.383870742,2.08E-12,2.17E-45,4.36E-100,1.69E-176,1.27E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,2.123674396,2.503092368,4.335315173,7.445720049,1.737380006,1.471213901,0.685970832,1.755206266,0.011486327,2.381500904,0.167082691,2.489844331,1.35E-11,1.41E-44,2.83E-99,1.10E-175,8.22E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,0.897220834,2.115684908,0.825277316,2.806062926,0.316547316,0.875487603,0.284143394,0.590364331,0.003913633,0.590017212,0.059638838,0.380103771,2.06E-12,2.15E-45,4.32E-100,1.68E-176,1.25E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,2.710497886,2.44794276,5.204452947,10.17008113,2.835515208,1.496451251,0.875337869,2.069185721,0.01395226,3.657181782,0.152661675,2.89516892,1.57E-11,1.63E-44,3.29E-99,1.28E-175,9.56E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,1.335410689,2.448712519,4.793649169,4.587947206,0.641735331,2.425113926,0.414000134,2.424532308,0.013809965,1.09402884,0.568870539,4.530974974,2.45E-11,2.56E-44,5.15E-99,2.00E-175,1.50E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,3.891527553,0.643583008,0.355408725,0.795728904,0.131598092,0.500841827,0.502677042,0.428556671,4.890519286,4.116338869,9.896986773,0.693593357,1.43207554,4.935776185,0.250069563,0.056926066,0.941444023,0.047697968,0.804403945,0.061153765,0.010994473,5.242771813,1.529497187,6.842532124,0.912166034,0.876552183,4.059136508,0.413239628,0.177439565,0.872967182,0.08887226,0.54120518,0.192848551,0.106820109,4.649815701,2.470972538,7.418424666,0.809450772,0.84087384,4.103695378,0.621889327,0.330456898,0.811641933,0.12299925,0.554446934,0.455940519,0.370494473,5.056041603,4.113646419,10.01302868,0.717462899,1.380881925,3.726309333,0.488903287,0.243625561,0.835713067,0.109648134,0.45824321,0.287037557,0.201371403,4.458838181,2.848738421,7.751414839,0.753569601,0.946652169,3.935710755,0.669862149,0.373689738,0.790420397,0.134530391,0.512277343,0.544558226,0.4737775,4.979262641,4.357438995,10.32189116,0.685630596,1.530613069,4.173417584,0.622952314,0.334661515,0.813368161,0.12140879,0.573633142,0.458957509,0.379982535,5.131031414,4.205000561,10.20609842,0.720052241,1.412573187 +UMLKV0199,L,VINYL ACETATE,CC(=O)OC=C,C4H6O2,"Acetyl (has 2 C-O bonds, formed by reaction of aldehyde & alcohol)",,108-05-4,2.457807555,PubChem,,0.3902,0,0.1053,0.01108809,21.105,12.644758,0,0,12,6,6,0,4,0,2,0,0,0,0,0,0,0,1095.08887,937.662737,1069.557865,623.847383,425.19763,95.837616,6.096384,0,0,2313.351628,2443.642008,2442.864492,1982.776456,1496.679733,830.9615764,186.5024666,0,0,97.17628,87.888476,130.0447,121.43882,69.75136,74.685888,40.310784,0,0,15.10968543,16.27708586,16.44460947,13.19805401,11.34427385,7.971096237,2.667677429,0,0,1987.585908,1632.353984,2615.865798,2411.364106,1384.057247,1690.734248,1109.505912,0,0,87.02777778,47.83333333,78.83333333,65.16666667,45.33333333,30,6,0,0,91.25740583,85.242067,66.84736656,44.56052736,47.24418111,9.5837616,1.016064,0,0,192.7793023,222.1492734,152.6790307,141.6268897,166.2977481,83.09615764,31.08374443,0,0,8.098023333,7.989861455,8.12779375,8.674201429,7.750151111,7.4685888,6.718464,0,0,1.259140452,1.479735078,1.027788092,0.942718143,1.260474872,0.797109624,0.444612905,0,0,165.632159,148.3958167,163.4916124,172.2402933,153.7841386,169.0734248,184.917652,0,0,7.252314815,4.348484848,4.927083333,4.654761905,5.037037037,3,1,0,0,0.247265151,-0.157061791,0.101858421,-0.083964458,0.030139135,-0.025741401,0.011137518,0,0,477.4648617,-4.105665361,148.0481136,-299.6304814,-167.2845112,-143.8895546,228.1296682,0,0,556.6678701,-121.689816,-33.57719679,59.49913256,-254.925185,-183.0090217,255.368152,0,0,1.724918667,-0.073020111,0.634645111,-1.452504444,-0.144961,-0.139435556,0.312816667,0,0,2.533412169,-0.978627633,-0.758369486,1.349311416,-1.030554464,-0.612889336,0.764423418,0,0,14.64019985,-6.12281304,-4.902604168,8.569878322,-5.459304063,-3.019366863,3.614109885,0,0,34.24768519,-4.45158179,11.48919753,-21.80979938,0.330439815,-9.905478395,7.22337963,0,0,0.020605429,-0.014278345,0.006366151,-0.005997461,0.003348793,-0.00257414,0.001856253,0,0,39.78873847,-0.373242306,9.253007101,-21.40217725,-18.58716792,-14.38895546,38.02161136,0,0,46.38898917,-11.06271055,-2.098574799,4.24993804,-28.32502056,-18.30090217,42.56135867,0,0,0.143743222,-0.006638192,0.039665319,-0.103750317,-0.016106778,-0.013943556,0.052136111,0,0,0.211117681,-0.088966148,-0.047398093,0.096379387,-0.114506052,-0.061288934,0.127403903,0,0,1.220016654,-0.556619367,-0.306412761,0.612134166,-0.60658934,-0.301936686,0.602351647,0,0,2.853973765,-0.404689254,0.718074846,-1.557842813,0.036715535,-0.99054784,1.203896605,0,0,-0.692940896,0.308955044,-0.291062187,0.162519923,-0.124925331,0.090085629,0,0,-0.009380602,0.232553417,-0.537895346,-0.46714645,-0.361633869,0.955587255,0,0,-0.238477077,-0.04523864,0.091615233,-0.610597926,-0.394509613,0.917488383,0,0,-0.046180904,0.275945668,-0.72177537,-0.112052433,-0.097003221,0.362703092,0,0,-0.421405484,-0.224510295,0.456519731,-0.542380208,-0.290306967,0.603473392,0,0,-0.456239155,-0.251154572,0.501742467,-0.49719759,-0.247485709,0.493724119,0,0,-0.141798519,0.251605272,-0.545850432,0.012864707,-0.347076715,0.4218317,0,0,1.613779842,0.831878954,1.671406598,0.647942706,0.564073752,0.01107404,0,0,0.810644456,0.719112096,1.591958496,1.237709821,1.215031012,0,0,0,1.306084456,0.949462884,0.65432039,1.612298368,1.277049407,0,0,0,0.758206184,0.746028871,2.248144343,0.742084715,0.75704868,0,0,0,1.637873578,1.128518562,0.295578958,1.642772498,1.100403576,0,0,0,1.689814067,1.161756198,0.295952989,1.601258127,1.02692811,0,0,0,0.688611017,0.536431227,1.909612321,1.032961586,1.381115242,0,0,0,14.92922046,7.714610232,12.1220972,15.2625538,2.543758966,7.716056796,0.5,0.008236918,0.00137282,-2.879477398,19.00150804,3.166918007,1.766711008,14.93970225,7.719116706,12.13017468,15.27205636,2.545342726,7.720556143,0.498531158,0.008380795,0.001396799,-2.86908749,18.9987503,3.166458383,1.766623922,24.26180192,11.73190648,19.42447275,23.72980928,3.954968214,11.73192647,-0.797988956,0.069246981,0.011541163,-1.602045439,17.81189506,2.968649176,1.727919897,14.95070323,7.723846416,12.13865286,15.28202963,2.547004939,7.725278411,0.4969896,0.008531432,0.001421905,-2.858398839,18.99586426,3.165977376,1.766532771,34.16573018,16.00057082,27.24998774,32.72267116,5.453778526,16.00057107,-2.164588529,0.088281601,0.0147136,-1.456334137,17.37235851,2.895393084,1.712928211,16.02760961,8.186938989,12.97125193,16.25845519,2.709742531,8.187802757,0.346268372,0.021648156,0.003608026,-2.299700997,18.74820471,3.124700785,1.758658799,15.31527303,8.070628202,12.63476633,15.84707651,2.641179418,8.071759534,0.882539683,0.142177415,0.023696236,-1.170407758,18.62326593,3.103877654,1.754646993,0,11.79,15.99591668,-0.286714364,0.262809545,3.606746746,5.540275113,5,11,9,9,3,2,2,0,0,2,9.433242,3.48188171,3.02798088,2.125789282,1.586310404,0.741312956,0.083923071,0.083923071,0.083923071,1.623506586,1.469128261,0.596564688,0.358248539,0.083923071,0.083923071,0.083923071,0.741312956,3.332957409,3.007310694,2.033152532,1.391860785,0.539341003,0.270913902,0.270913902,0.270913902,1.658604848,1.409215343,0.699729699,0.294732618,0.270913902,0.270913902,0.270913902,0.539341003,3.5476218,3.178970934,2.414674221,1.84733518,1.163079758,0.943918427,0.943918427,0.943918427,1.421974892,1.170481075,0.276179658,0.210034576,0.943918427,0.943918427,0.943918427,1.163079758,3.301804435,3.015795255,2.013507338,1.40229498,0.447521766,0.399277246,0.399277246,0.399277246,1.685787546,1.37382006,0.720677517,0.242327871,0.399277246,0.399277246,0.399277246,0.447521766,3.549542702,3.237387379,2.480126424,1.953447702,1.208671216,1.207644823,1.207644823,1.207644823,1.404709918,1.111748862,0.219068573,0.348058545,1.207644823,1.207644823,1.207644823,1.208671216,4.153795406,3.365603074,2.572645937,2.071422829,1.08610524,0.461538462,0.461538462,0.461538462,1.469163436,1.256128827,0.279973271,0.013537721,0.461538462,0.461538462,0.461538462,1.08610524,0,0,3,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.083333333,0,0,0,0.288675135,0.288675135,0,0.048112522,0.034020691,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,3.600953631,1.552198841,0.776099421,0.249296986,0.117354024,0,0,0,0.600158939,0.310439768,0.155219884,0.083098995,0.058677012,0,0,0,7.05508162,12.32483613,11.8745098,12.08,7.356142515,92.1365018,0.587923468,1.027069677,0.989542484,1.006666667,0.613011876,7.678041816,0.61919,21.693,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,1,0,2,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.91694444,3.928611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.563333333,0.684375,0,0,0,0.538125,0,1.247708333,0,0,0,0,0,0,0,0,1.321111111,3.157777778,0,0,1.099537037,0,0,0,0,-0.328703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.750277778,4.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.166666667,-0.328703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.563333333,0.684375,0,0,0,0.538125,0,0.563333333,0,0,0,0,0,0,0,0,1.321111111,3.157777778,0,0,1.099537037,0,0,0,0,-0.328703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.750277778,4.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.750277778,3.157777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.563333333,0.684375,0,0,0,0.538125,0,0.684375,0,0,0,0,0,0,0,0,1.321111111,3.157777778,0,0,1.099537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.750277778,4.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.16666667,3.194444444,0.730833333,9.750277778,0.458333333,-0.328703704,1.929110926,1.99537037,2.750277778,7.149444444,1.99537037,2.750277778,7.149444444,2.66666,0.44444,0,0.05556,0.62778,0.95556,0.42,0.58095,0.95556,0.20778,0.04683,-0.16095,0,0.46511,0.24918,0,0.5,0.1875,0,6.25,1.04167,3.25,0.54167,3,0.5,-0.25,-0.04167,0,0,2.26609,0.37768,5.69868,3.43259,0.5721,1.11583,0.18597,2.77005,1.65421,0.2757,0.14395,0.02399,0.14395,0.02399,0,5.02,2,2,2,2,0,0,0.25,1.459147917,2.79248125,3.022055209,3.022055209,2.723308334,2.125814584,17.509775,33.509775,36.26466251,36.26466251,32.67970001,25.509775,0.407019018,0.778942946,0.842980982,0.842980982,0.759647649,0.592980982,2.125814584,0.79248125,0.562907292,0.562907292,0.861654167,1.459147917,0.39431744,0.754634979,0.816674622,0.816674622,0.735941818,0.57447621,13.73480493,24.90453655,25.13590694,25.13590694,20.35747618,13.18755118,22.57293334,14.949875,14.61027604,14.61027604,12.22030104,8.635338543,6,3.2,5.333333333,6,5,2,1.68,0.7036,0.25,1.154700538,1.154700538,0,0,0.5,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.447,0.442,0.598,0.207,2.253,5,3,2,0,0,0,0,0,0,21,2.079441542,2.197224577,1.791759469,1.945910149,0,0,0,0,0,0,3.496507561,1.523809524,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,3,0.6,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,26.3,90.0479332,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,86.03677943,7.169731619,10.67917749,1.779862916,5.080776528,5.080776528,0,32,3,0.694,20,1.217181818,2.124526046,2.946670786,4.036257172,4.890669923,5.524790452,0,0,0,0,112.7838807,155.4736258,143.4037167,202.9175827,47.90147344,5.613540685,0,0,0,0,286.2143178,344.3276579,450.0299483,701.1984433,414.4253296,171.7311744,0,0,0,0,9.807072888,17.50087341,25.51293725,31.01890442,36.55447301,37.11810576,0,0,0,0,1.868921459,2.260549199,2.980797553,5.29369461,3.96390203,2.456393131,0,0,0,0,179.6444567,345.1254002,502.7539965,614.1070433,823.7503478,1021.631278,0,0,0,0,5.447393939,11.20237078,13.85126156,20.23949462,14.78530888,5.524790452,0,0,0,0,0.460675909,0.619998487,0.81197165,1.237566382,0.95057517,0.565738542,0,0,0,0,378.7265866,237.7349963,31.29578342,104.2918031,-65.46625537,-21.90768442,274.4347835,303.2012517,53.20346784,0.784083163,0.492186222,0.064792116,0.215916837,-0.135535741,-0.045355798,182.931906,114.8303751,15.11643891,50.3748588,-31.62140525,-10.58181445,0.418607268,0.456663729,30.22599979,9.975037894,339.4157722,143.6026174,0.702697412,0.297302588,487.1900547,22.07238217,7.868636289,545.9492081,23.36555602,8.173048576,727.0549024,26.96395562,8.991988353,1.798927765,1.798927765,282.8792758,231.5450923,54.70503201,1.221702749,5.170991871,4.232610489,3.343144568,3.365256347,6.579636317,0.955166453,1.931619322,1.256991905,2.356424994,3.756538335,1.927545843,0.714147111,1.450035484,4.222885205,0.509727525,0.294457756,0.013849286,0.530362628,2.12E-08,1.63E-37,2.42E-88,6.93E-161,3.83E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,0.178629731,1.321620612,0.158456751,1.30832053,0.519632999,0.568214935,0.129170938,0.283989141,0.055759953,0.024477114,9.82E-05,0.003735387,1.49E-10,1.15E-39,1.71E-90,4.88E-163,2.70E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,0.529183351,1.201368691,0.509691411,1.193116035,0.452008879,0.581666388,0.395495107,0.796760588,0.09742361,0.079169748,0.001018193,0.038925616,1.55E-09,1.20E-38,1.78E-89,5.09E-162,2.81E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,1.828408094,1.32140896,2.250108257,4.629587237,2.196696977,0.756208143,1.371032698,3.879003589,0.63572842,0.277782508,0.012339929,0.472543553,1.89E-08,1.45E-37,2.16E-88,6.18E-161,3.41E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,0.77232974,1.155674327,0.763892601,1.078957662,0.436392875,0.581356434,0.579451719,1.235250587,0.097600437,0.116838097,0.002209991,0.08455164,3.38E-09,2.60E-38,3.86E-89,1.11E-161,6.11E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,2.332730682,1.297814993,3.037263969,5.22456151,2.736571816,0.78980352,1.751138141,5.613805848,0.74416018,0.356365863,0.02019568,0.773484049,3.09E-08,2.38E-37,3.53E-88,1.01E-160,5.59E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,1.003783785,1.066725489,1.042316005,4.551100765,2.464918334,0.646228372,0.571409144,1.365772718,0.744483342,0.168973671,0.002952186,0.112976654,4.51E-09,3.47E-38,5.16E-89,1.48E-161,8.16E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,4.481120547,0.860137768,0.139361512,0.817630248,0.156941696,0.626263609,0.41209121,0.166666667,5.480619828,4.598746864,10.61651906,0.726445371,1.205021487,2.68819509,0.695293414,0.019580867,0.789932498,0.204313618,0.236107539,0.247306044,0.003290235,3.403069371,1.935335981,5.375003644,0.684898747,0.486703818,3.575998173,0.666945916,0.064217493,0.830244723,0.154845808,0.399201696,0.257875345,0.035389118,4.307161582,2.657468609,7.117788744,0.745367084,0.69246616,4.221735032,0.893118532,0.128078847,0.805224005,0.170347138,0.55548945,0.452897423,0.140772513,5.242932411,4.425614339,10.1514693,0.707836007,1.149159386,4.057919209,0.656351645,0.090771293,0.844512719,0.136596439,0.513254478,0.243438141,0.070706623,4.805042147,3.09134241,8.138146812,0.766769079,0.827399241,4.543240625,0.901148744,0.147796821,0.812426566,0.161144267,0.643798942,0.451691315,0.187453361,5.592186189,4.89879902,11.09608543,0.71863985,1.282943618,4.328818988,0.9004321,0.130504264,0.807652347,0.167998731,0.584030587,0.459987936,0.146154588,5.359755353,4.580247139,10.448683,0.71147852,1.190173111 +UMLKV0200,L,METHYL N-BUTYRATE,CCCC(=O)OC,C5H10O2,"Acetyl (has 2 C-O bonds, formed by reaction of aldehyde & alcohol)",,623-42-7,2.614865278,PubChem,,0.5276,0,-0.1907,0.03636649,25.3479,17.07193,0,0,17,7,10,0,5,0,2,0,0,0,0,0,0,0,1243.417247,1130.35521,1262.775798,1060.759697,744.434131,307.657897,78.738912,9.144576,0,2861.203507,3326.105375,3849.214114,3541.48044,2707.466718,1675.784234,874.9221648,279.7536999,0,131.590652,123.89952,216.4962,221.428316,191.1583,140.266468,83.016576,60.466176,0,19.67703705,23.5201631,29.09877861,27.31646409,20.78698781,14.2329069,9.348943289,4.001516144,0,2854.050872,2371.638531,4591.763082,4834.757802,4064.257244,3113.018667,2028.241198,1664.258868,0,86.52777778,50.25,85.41666667,83.91666667,85.5,50,18,9,0,73.142191,70.64720063,45.09913564,36.57792059,31.01808879,17.09210539,6.561576,1.016064,0,168.3060886,207.8815859,137.4719326,122.1200152,112.8111132,93.09912411,72.9101804,31.08374443,0,7.740626588,7.74372,7.732007143,7.635459172,7.964929167,7.792581556,6.918048,6.718464,0,1.157472768,1.470010194,1.039242093,0.941947038,0.866124492,0.79071705,0.779078607,0.444612905,0,167.8853454,148.2274082,163.9915386,166.7157863,169.3440518,172.9454815,169.0200999,184.917652,0,5.089869281,3.140625,3.050595238,2.893678161,3.5625,2.777777778,1.5,1,0,0.264469009,-0.154357089,0.034969424,0.017611981,-0.006290658,-0.036568843,0.001354781,0.011045898,0,629.8202065,-12.09745997,47.85605381,2.030288727,-283.8122875,-263.7712904,-30.09952586,224.9841179,0,780.5766247,-146.4197851,-39.17543734,-15.89410581,-217.2244316,-109.9554831,-132.6540497,271.0349803,0,1.881607059,-0.015005232,0.573891903,-0.332707571,-0.895370436,-0.722895945,0.190463253,0.260820498,0,3.424768994,-1.080059213,-0.205188776,-0.373622822,-0.523457603,0.311015424,-0.711379077,0.870307568,0,19.34959846,-6.628413839,-0.891443659,-2.729791524,-2.460118467,2.785370734,-3.978143926,4.227741453,0,36.4869281,-0.446847366,8.849961553,-4.861687812,-16.28056517,-11.96655133,1.852364475,4.609861592,0,0.015557001,-0.009647318,0.001248908,6.07E-04,-2.62E-04,-0.002031602,1.13E-04,0.001227322,0,37.04824744,-0.756091248,1.709144779,0.070009956,-11.82551198,-14.65396058,-2.508293822,24.99823533,0,45.91627204,-9.151236571,-1.399122762,-0.548072614,-9.051017984,-6.10863795,-11.05450414,30.11499781,0,0.110682768,-9.38E-04,0.020496139,-0.011472675,-0.037307101,-0.040160886,0.015871938,0.028980055,0,0.201457,-0.067503701,-0.007328171,-0.012883546,-0.021810733,0.017278635,-0.05928159,0.096700841,0,1.138211674,-0.414275865,-0.031837274,-0.094130742,-0.102504936,0.154742819,-0.331511994,0.46974905,0,2.146289889,-0.02792796,0.316070055,-0.167644407,-0.678356882,-0.664808407,0.154363706,0.512206844,0,-0.620127129,0.080279487,0.039037712,-0.016848411,-0.13059088,0.007257082,0.078891944,0,-0.020408287,0.046132945,0.001889697,-0.31919221,-0.395537214,-0.067703441,0.67474812,0,-0.199302691,-0.030471175,-0.011936348,-0.197120053,-0.13303863,-0.24075352,0.655867658,0,-0.008473107,0.185179136,-0.103653668,-0.337063322,-0.362846778,0.14340026,0.261829875,0,-0.335077465,-0.036375855,-0.063951839,-0.108264957,0.085768351,-0.294264234,0.480007352,0,-0.363970845,-0.027971312,-0.082700559,-0.090057885,0.135952584,-0.291256891,0.412707988,0,-0.013012203,0.147263451,-0.07810893,-0.316060233,-0.309747724,0.071921182,0.238647559,0,1.588213108,1.00375449,1.067114552,1.263096974,1.085143009,0.120030664,0.027763671,0,0.99899345,0.924401966,0.94489707,1.362000827,1.378672489,0.768892505,0,0,1.508256898,1.023287726,0.950105474,1.047963518,0.925993868,1.153646708,0,0,0.720275784,0.80377128,1.058805552,1.724335226,1.626421525,0.050416478,0,0,1.799320607,1.053865277,0.998618662,0.942760307,0.667270572,1.175465308,0,0,1.84360627,1.052146795,1.017184003,0.944997434,0.627905538,1.130134602,0,0,0.566412897,0.550316678,1.127155365,2.047156292,1.577429467,0.109628303,0,0,24.87008861,12.68504431,19.9076234,25.22723147,3.60389021,12.6850548,0.5,0.18655486,0.026650694,-1.17532095,23.44694617,3.349563739,2.208318181,24.87937819,12.68895468,19.91266062,25.23547188,3.605067411,12.68896512,0.498531158,0.186251781,0.026607397,-1.176459101,23.44591307,3.349416152,2.208287338,33.26408683,16.23304894,24.89948723,32.69409472,4.67058496,16.23304917,-0.797988956,0.072566896,0.010366699,-1.836272504,40.30367953,5.757668504,2.587509938,24.88912832,12.69305896,19.91794869,25.2441209,3.606302985,12.69306936,0.4969896,0.185933683,0.026561955,-1.177655648,23.44485459,3.349264941,2.208255735,42.34951804,20.09246476,31.13974607,40.80338338,5.829054768,20.09246476,-2.164588529,0.260832208,0.037261744,-0.940714572,31.01902284,4.431288977,2.404220459,25.84558723,13.0959278,20.44227845,26.09292178,3.727560254,13.09593445,0.346268372,0.1547693,0.0221099,-1.306073761,23.46859265,3.352656092,2.208964131,25.19617202,12.85777386,21.16589031,25.60679601,3.658113716,12.85778518,1.172698413,0.322950486,0.046135784,-0.791179383,27.65395846,3.950565494,2.323838217,0,11.99640053,15.99825848,-0.34958612,0.261199352,3.878932686,6.466382089,6,16,15,15,5,1,1,0,0,1,13.80607,3.520948033,3.031096698,2.605962958,2.05770581,1.332142787,1.08612832,0.083923071,0.083923071,1.795102369,1.45631953,1.247422046,0.732749818,0.402640613,0.083923071,0.083923071,0.083923071,3.431948383,2.956147805,2.579893396,2.016762904,1.404835946,0.634216743,0.270913902,0.270913902,1.7662401,1.453600588,1.177209478,0.70965242,0.403848775,0.270913902,0.270913902,0.270913902,3.610440844,3.21532654,2.854355582,2.368254866,1.860283663,1.255949921,0.943918427,0.943918427,1.555365012,1.132846243,0.847889163,0.300126487,0.108614761,0.943918427,0.943918427,0.943918427,3.426544647,2.940795793,2.60261339,2.022446622,1.46627792,0.465144215,0.399277246,0.399277246,1.760473264,1.444818654,1.134137037,0.693306882,0.333498727,0.399277246,0.399277246,0.399277246,3.636246235,3.266558008,2.942332254,2.457607379,2.033868232,1.209058028,1.207644823,1.207644823,1.515228414,1.082231629,0.754713496,0.214932351,0.270787192,1.207644823,1.207644823,1.207644823,4.781489065,3.307075707,3.218665513,2.484954646,1.874761962,1.601474845,0.576923077,0.576923077,1.647871753,1.105747056,0.941147513,0.358415157,0.150144358,0.576923077,0.576923077,0.576923077,0,0,1,0,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.49279928,0.40824829,0.204124145,0.100592232,0.083333333,0.041666667,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,4.730710143,2.377156753,1.326132613,0.681795046,0.306186218,0.102062073,0,0,0.675815735,0.396192792,0.221022102,0.136359009,0.102062073,0.102062073,0,0,9.138737228,17.10050983,16.3254902,16.6,9.953251497,131.4503174,0.537572778,1.005912343,0.960322953,0.976470588,0.585485382,7.73237161,0.9595,26.924,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,1,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.54125,-0.122685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.186527778,0.5125,0,0,0,0,0,0,0,0,0,0,3.342175926,0,1.405925926,0,0,0,0,0,0,-0.122685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18958333,4.351666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.351666667,-0.122685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305625,0.5125,0,0,0,0,0,0,0,0,0,0,1.400787037,0,0.538194444,0,0,0,0,0,0,-0.122685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18958333,4.351666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18958333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,1.941388889,0,0.867731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18958333,4.351666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.16666667,2.738095238,0.627083333,10.18958333,0.305625,-0.122685185,2.138774907,1.789351852,3.189583333,8.0825,1.789351852,3.189583333,8.0825,3.16666,0.45238,0,0.04762,0.5549,0.91905,0.42174,0.5549,0.91905,0.13316,0,-0.13316,0,0.49223,0.22206,0,0.42105,0.1579,0,5.25,0.75,3.75,0.53571,1.5,0.21429,-2.25,-0.32143,0,0,4.36463,0.62352,7.07892,2.71429,0.38776,2.18293,0.31185,3.30805,1.12513,0.16073,0.10595,0.01514,0.10595,0.01514,0,6.02,2,2,2,2,0,0,0.8,1.332820405,2.133387491,3.292770194,3.292770194,3.292770194,2.811892213,22.65794688,36.26758735,55.9770933,55.9770933,55.9770933,47.80216761,0.326075235,0.521934406,0.805578013,0.805578013,0.805578013,0.687930954,2.754642437,1.95407535,0.794692647,0.794692647,0.794692647,1.275570629,0.326075235,0.521934406,0.805578013,0.805578013,0.805578013,0.687930954,12.49498498,22.57177998,23.74023489,23.74023489,23.74023489,17.96969911,25.89308809,15.56333914,15.1628235,15.1628235,15.1628235,12.27755562,7,4.166666667,3.84,7,3,4,1.79,0.8875,0.2,1.807204007,0.816496581,0,1,1.414213562,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,2.859,6,5,3,1,0,0,0,0,0,28,2.079441542,2.197224577,2.079441542,1.609437912,0.693147181,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,26.3,109.9803765,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,102.0680796,6.00400468,12.66537523,1.809339318,5.076588817,5.076588817,0,50,5,1.063,24,1.2270625,2.096259626,2.853249131,3.612576602,4.799419847,5.786660393,6.79785035,0,0,0,96.90864932,104.5870248,114.5393082,131.7877546,92.72222853,41.39149278,6.907051018,0,0,0,275.0821314,308.6864297,372.1303277,450.3823656,479.1000958,447.7156263,211.302643,0,0,0,9.573754286,16.33886681,21.85566246,28.71305549,37.57296348,40.15554848,45.67111286,0,0,0,1.899056374,2.286851619,2.817367903,3.389831799,3.988599663,4.714646748,3.022411991,0,0,0,180.4501068,340.5600083,472.6879946,601.8967643,824.5692734,968.2522681,1257.042526,0,0,0,3.969661458,6.76594279,8.362783605,12.70276647,13.55793081,8.988517631,6.79785035,0,0,0,0.445526719,0.560401066,0.697316459,0.880903907,1.00273779,1.03312958,0.696099876,0,0,0,326.760848,227.5769963,12.8178012,178.9349483,-124.6216562,-22.19128003,147.8258997,352.1986524,35.00908124,0.646160894,0.450027463,0.025346861,0.353839106,-0.246436014,-0.043882667,165.2415872,115.0847303,6.481908185,90.48665115,-63.02064766,-11.22203703,0.375005191,0.45795864,2.688896919,8.033959553,445.0706748,60.62512149,0.880115433,0.119884567,523.9030215,22.88892792,8.061520593,620.7733823,24.91532425,8.530563018,838.8366415,28.9626767,9.4310301,2.092657649,2.092657649,444.4380703,395.769232,62.06900144,1.122972769,7.160386988,6.376278381,3.695696228,4.193003682,7.360793762,0.755494228,2.802231592,3.344511073,4.495959393,7.720095904,4.819498495,1.527745649,1.895117521,5.890390554,0.084439668,2.223140682,2.928966825,4.632195514,0.369242764,0.28803231,3.60E-18,8.68E-57,4.04E-117,3.62E-199,6.27E-303,0,0,0,0,0,0,0,0,0,0,0,0.2516794,3.49551831,0.440218135,2.862557834,0.26086558,1.072166457,0.25823193,0.344628877,0.016068422,0.197145891,1.142344276,0.09781656,0.002600846,0.002028635,2.54E-20,6.12E-59,2.84E-119,2.55E-201,4.41E-305,0,0,0,0,0,0,0,0,0,0,0,0.765034346,3.214432911,0.890389092,2.934106142,0.82953394,0.950704617,0.470868451,1.017747726,0.026092451,0.405352141,1.477462998,0.507466843,0.027100943,0.021139942,2.64E-19,6.37E-58,2.96E-118,2.66E-200,4.60E-304,0,0,0,0,0,0,0,0,0,0,0,2.650193139,3.495079447,5.238171074,8.145868913,4.661226363,1.756249746,2.070413405,5.744446239,0.082499636,2.546734059,2.809130529,4.172091108,0.32898882,0.256631602,3.21E-18,7.74E-57,3.60E-117,3.23E-199,5.58E-303,0,0,0,0,0,0,0,0,0,0,0,1.119938123,3.107627496,1.026614949,3.092585564,1.264263655,0.889595597,0.579832293,1.525913009,0.034317671,0.477340762,1.716291151,0.941864208,0.058866282,0.045918779,5.74E-19,1.38E-57,6.44E-118,5.78E-200,9.99E-304,0,0,0,0,0,0,0,0,0,0,0,3.384123505,3.439964249,6.350884155,10.18028057,6.536153916,1.865011639,2.516925799,8.024098703,0.101997215,3.167773692,3.384543849,6.542984811,0.538505091,0.420068054,5.25E-18,1.27E-56,5.89E-117,5.28E-199,9.14E-303,0,0,0,0,0,0,0,0,0,0,0,1.722265092,3.516072304,5.371151014,8.650479433,3.478527255,2.437156351,1.816290495,4.120963265,0.068277516,2.04414701,2.541164344,1.824018304,0.122899882,0.095868742,1.20E-18,2.89E-57,1.34E-117,1.21E-199,2.09E-303,0,0,0,0,0,0,0,0,0,0,0,5.714902966,0.678641378,0.391062371,0.842333713,0.100026635,0.568513672,0.508019371,0.470570081,6.784606714,6.378644229,14.67993536,0.76350057,1.547103124,3.9590054,0.554106551,0.065612924,0.864652389,0.121017656,0.272805006,0.337400685,0.013246802,4.578724875,2.4898293,7.212489958,0.796978583,0.623452492,4.812873642,0.515413747,0.197078865,0.871050609,0.093281372,0.403156192,0.29146613,0.119512232,5.525366254,3.530714067,9.544958337,0.806575914,0.814134554,5.541241986,0.696274301,0.366961376,0.839012904,0.105424583,0.53449885,0.53515795,0.414355364,6.604477663,6.147151951,14.16744895,0.758519357,1.484012165,5.222030484,0.521372797,0.26668865,0.868876973,0.086749554,0.474620049,0.298332936,0.218847364,6.010091931,4.254325108,10.99051013,0.803315459,0.99180035,5.791790065,0.708188001,0.411818664,0.837957233,0.102460768,0.583928802,0.55370287,0.521848338,6.911796729,6.778488509,15.37943206,0.75693585,1.659480009,5.571196367,0.702124957,0.370853144,0.83850844,0.105675274,0.540437739,0.548387689,0.423190768,6.644174468,6.238156947,14.33298876,0.75776266,1.512016196 +UMLKV0201,L,N-PROPYL ACETATE,CCCOC(=O)C,C5H10O2,"Acetyl (has 2 C-O bonds, formed by reaction of aldehyde & alcohol)",,109-60-4,2.615230371,PubChem,,0.5483,0,-0.3063,0.09381969,25.2386,17.07193,0,0,17,7,10,0,5,0,2,0,0,0,0,0,0,0,1243.417247,1130.35521,1306.655762,896.782412,652.173191,471.635182,127.119888,9.144576,0,2861.203507,3326.105375,3761.1497,3222.595612,2549.49024,1994.669063,1120.963057,279.7536999,0,131.590652,123.89952,216.636032,227.926208,162.604964,133.768576,111.43008,60.466176,0,19.67703705,23.5201631,28.22799493,24.77556311,20.05346753,16.77380788,10.95324725,4.001516144,0,2854.050872,2371.638531,4586.250325,4962.783937,3514.21717,2984.992532,2583.794029,1664.258868,0,86.52777778,49.33333333,90.75,83.33333333,59.16666667,51.5,39,9,0,73.142191,70.64720063,46.66627721,30.92353145,31.05586624,26.20195456,8.4746592,1.016064,0,168.3060886,207.8815859,134.326775,111.1239866,121.4042971,110.8149479,74.73087045,31.08374443,0,7.740626588,7.74372,7.737001143,7.859524414,7.743093524,7.431587556,7.428672,6.718464,0,1.157472768,1.470010194,1.008142676,0.854329762,0.954927025,0.931878216,0.730216483,0.444612905,0,167.8853454,148.2274082,163.7946545,171.1304806,167.3436748,165.8329184,172.2529352,184.917652,0,5.089869281,3.083333333,3.241071429,2.873563218,2.817460317,2.861111111,2.6,1,0,0.259020799,-0.159897902,0.085068955,-0.041697826,-0.02994846,0.027555512,-0.017516559,0.006925881,0,629.8202065,-12.09745997,91.73601781,-167.7205147,-177.8298939,-94.02048697,-179.9618835,224.9841179,0,780.5766247,-146.4197851,-127.2398513,26.00899534,-69.11509619,-151.8585842,-192.6989712,271.0349803,0,1.881607059,-0.015005232,0.713723903,-0.933760277,-0.579772955,-0.121843239,-0.264966228,0.260820498,0,3.424768994,-1.080059213,-1.075972452,0.612461031,0.183358534,-0.675068428,-0.547411538,0.870307568,0,19.34959846,-6.628413839,-6.404200317,3.766455678,1.603076162,-3.710876468,-2.528581896,4.227741453,0,36.4869281,-1.363514033,13.32545175,-13.16560938,-9.410322953,-2.745963091,-9.493367935,4.609861592,0,0.015236518,-0.009993619,0.003038177,-0.001437856,-0.001426117,0.001530862,-0.001167771,7.70E-04,0,37.04824744,-0.756091248,3.27628635,-5.783466024,-8.468090185,-5.223360387,-11.9974589,24.99823533,0,45.91627204,-9.151236571,-4.544280402,0.896861908,-3.291195057,-8.436588014,-12.84659808,30.11499781,0,0.110682768,-9.38E-04,0.025490139,-0.03219863,-0.027608236,-0.006769069,-0.017664415,0.028980055,0,0.201457,-0.067503701,-0.038427588,0.021119346,0.008731359,-0.037503802,-0.036494103,0.096700841,0,1.138211674,-0.414275865,-0.22872144,0.129877782,0.07633696,-0.206159804,-0.168572126,0.46974905,0,2.146289889,-0.085219627,0.475908991,-0.45398653,-0.448110617,-0.152553505,-0.632891196,0.512206844,0,-0.655899148,0.199401009,-0.094369074,-0.093598629,0.100473207,-0.076642882,0.050506442,0,-0.020408287,0.088432964,-0.156106332,-0.228569251,-0.140988056,-0.323833372,0.67474812,0,-0.199302691,-0.098968845,0.019532551,-0.071678185,-0.183738523,-0.279783125,0.655867658,0,-0.008473107,0.230299077,-0.290909152,-0.24943572,-0.061157386,-0.15959499,0.261829875,0,-0.335077465,-0.190748337,0.104833021,0.043341054,-0.186162812,-0.181150829,0.480007352,0,-0.363970845,-0.200948071,0.114106879,0.067067455,-0.181126067,-0.148102616,0.412707988,0,-0.039705553,0.221735654,-0.211521534,-0.208783827,-0.071077773,-0.294876847,0.238647559,0,1.617615667,0.891336198,1.322755607,1.222186356,0.693771112,0.574521086,0.003245935,0,0.99899345,0.884590183,1.172578097,1.201864757,1.011853057,1.186019995,0,0,1.508256898,1.087756121,0.817209245,0.989538005,1.140104458,1.093964785,0,0,0.720275784,0.761305453,1.588912055,1.342256059,0.772361048,0.999380605,0,0,1.799320607,1.199157024,0.700621367,0.877617611,1.147377325,0.94891282,0,0,1.84360627,1.214948451,0.704132005,0.862905487,1.13226709,0.90413947,0,0,0.59153605,0.48049389,1.328140587,1.305098842,1.231288252,1.666350202,0,0,24.88535639,12.69267819,20.07121954,25.24249924,3.60607132,12.69268857,0.5,0.177014909,0.025287844,-1.212064923,25.1408673,3.591552472,2.257146291,24.89749644,12.6980138,20.08049966,25.25359012,3.607655732,12.69802412,0.498531158,0.176848447,0.025264064,-1.2127235,25.1312077,3.590172529,2.256877286,35.6954235,17.44871727,28.57593233,35.12543139,5.01791877,17.44871734,-0.797988956,0.083220968,0.01188871,-1.740379156,24.62915287,3.51845041,2.242751572,24.91023779,12.7036137,20.09024045,25.26523037,3.609318624,12.70362395,0.4969896,0.17667396,0.025239137,-1.213414495,25.12113263,3.588733232,2.2565966,47.1831373,22.50927439,37.84380203,45.63700264,6.519571805,22.50927439,-2.164588529,0.039865661,0.005695094,-2.255567967,28.55209238,4.07887034,2.346211155,26.15741564,13.25184201,21.04848955,26.40475019,3.77210717,13.25184769,0.346268372,0.160625674,0.022946525,-1.280075037,24.388317,3.484045286,2.235872944,23.12840321,11.86813711,19.00479622,23.63098824,3.375855463,11.86816688,1.172698413,0.314218712,0.044888387,-0.8103662,30.69704123,4.385291604,2.396916391,0,11.89,15.99591715,-0.315866438,0.301587185,3.643152771,5.992391274,6,16,15,15,5,1,1,0,0,1,13.80607,3.485465976,3.151810222,2.443843713,2.073301637,1.522768526,0.953513182,0.083923071,0.083923071,1.765503304,1.550263516,1.180040561,0.677171642,0.457974005,0.083923071,0.083923071,0.083923071,3.366418878,3.125766828,2.436106793,1.980328521,1.519743082,0.603791575,0.270913902,0.270913902,1.739796703,1.53422322,1.103578765,0.664292697,0.477010476,0.270913902,0.270913902,0.270913902,3.576356905,3.320128893,2.735393849,2.360028793,1.957682996,1.226376299,0.943918427,0.943918427,1.502715326,1.277819377,0.73565097,0.237376739,0.014593949,0.943918427,0.943918427,0.943918427,3.355706519,3.12344051,2.462676017,1.966326968,1.574502116,0.459589506,0.399277246,0.399277246,1.738250029,1.517472535,1.052032393,0.671922047,0.404976607,0.399277246,0.399277246,0.399277246,3.599734219,3.372547243,2.839111622,2.430365633,2.11641024,1.208936353,1.207644823,1.207644823,1.459674882,1.230981159,0.63121848,0.171167172,0.175287821,1.207644823,1.207644823,1.207644823,4.784895526,3.407876222,2.926227824,2.703012842,1.97744016,1.467506112,0.576923077,0.576923077,1.603145096,1.222950403,0.880058334,0.306891778,0.111471539,0.576923077,0.576923077,0.576923077,0,0,1,0,0,3,1,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.083333333,0,0,0,0.288675135,0.204124145,0.204124145,0.058925565,0.041666667,0.041666667,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,4.730710143,2.404030206,1.340043336,0.50944935,0.245790812,0.143728739,0,0,0.675815735,0.400671701,0.223340556,0.127362338,0.081930271,0.07186437,0,0,9.138737228,17.10050983,16.3254902,16.6,9.953251497,131.4503174,0.537572778,1.005912343,0.960322953,0.976470588,0.585485382,7.73237161,0.9595,26.924,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,1,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.5325,-0.192731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.239861111,0.5125,0,0,0,0,0,0,0,0,0,0,3.373611111,0,1.453287037,0,0,0,0,0,0,-0.192731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.980416667,4.552083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.552083333,-0.192731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.307222222,0.5125,0,0,0,0,0,0,0,0,0,0,1.412361111,0,0.550925926,0,0,0,0,0,0,-0.192731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.980416667,4.552083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.980416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,1.96125,0,0.902361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.980416667,4.552083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.16666667,2.738095238,0.670486111,9.980416667,0.305555556,-0.192731481,2.185059491,1.859398148,2.980416667,8.065,1.859398148,2.980416667,8.065,3.16666,0.45238,0,0.04762,0.5549,0.91905,0.42174,0.5549,0.91905,0.13316,0,-0.13316,0,0.49223,0.22206,0,0.42105,0.1579,0,5.25,0.75,3.75,0.53571,1.5,0.21429,-2.25,-0.32143,0,0,4.42985,0.63284,7.02591,2.59606,0.37087,2.15409,0.30773,3.27005,1.11596,0.15942,0.14395,0.02056,0.14395,0.02056,0,6.02,2,2,2,2,0,0,0.8,1.332820405,2.133387491,3.292770194,3.175123135,3.00719649,2.811892213,22.65794688,36.26758735,55.9770933,53.9770933,51.12234032,47.80216761,0.326075235,0.521934406,0.805578013,0.776795596,0.735712251,0.687930954,2.754642437,1.95407535,0.794692647,0.912339706,1.080266352,1.275570629,0.326075235,0.521934406,0.805578013,0.776795596,0.735712251,0.687930954,12.49498498,22.57177998,23.74023489,22.32847018,23.45242656,17.00916587,25.89308809,15.56333914,15.1628235,16.63632669,15.70788316,11.79667763,7,4.166666667,6,7,3,3,1.79,0.8875,0.2,1.807204007,1,0,1,0.816496581,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,2.859,6,4,3,2,0,0,0,0,0,28,2.079441542,2.197224577,1.791759469,1.609437912,1.386294361,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,26.3,109.9803765,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,102.0680796,6.00400468,12.67036528,1.810052182,5.171258731,5.171258731,0,52,4,1.022,24,1.2270625,2.096557665,2.845490369,3.665951165,4.757099572,5.613818697,6.768843635,0,0,0,96.90864932,107.7425269,97.96596658,130.9055909,135.799968,49.57398026,6.877578339,0,0,0,275.0821314,300.2300425,338.2445952,492.3242238,561.81901,440.4012782,210.4010056,0,0,0,9.573754286,16.3679256,22.43022931,28.41340973,35.36414972,41.57193194,45.47623228,0,0,0,1.899056374,2.204123118,2.549108,3.79815032,4.662284678,4.295410788,3.009515231,0,0,0,180.4501068,340.4842901,484.1294538,604.4525262,781.4988635,957.2567289,1251.678672,0,0,0,3.894911458,7.206081751,8.333915133,10.19379195,13.71302755,14.34947444,6.768843635,0,0,0,0.445526719,0.555305628,0.656395938,0.917212085,1.096986128,1.031435308,0.693129588,0,0,0,338.4165822,229.0772592,12.17176852,189.2506377,-128.1054761,-21.41162954,149.1659444,357.1827353,33.58339806,0.641344714,0.434132064,0.02306713,0.358655286,-0.242777022,-0.040577904,178.5713371,120.8765605,6.422643255,99.86135788,-67.59706045,-11.29821504,0.38161339,0.466581196,2.304235486,6.059192445,467.5761937,60.09102619,0.886119463,0.113880537,523.9030215,22.88892792,8.061520593,620.7733823,24.91532425,8.530563018,835.2695512,28.90103028,9.417642855,1.857548318,1.857548318,461.3837619,407.8238456,66.96007954,1.131331007,6.890430314,6.090551988,3.785007465,4.208298788,7.348219106,0.746125804,2.802231592,3.344511073,3.061880315,9.832473959,3.889436552,1.413498053,2.076352875,3.682095193,0.06483757,3.479866053,2.744153196,4.005941798,0.508819785,0.199769211,7.10E-19,4.87E-58,6.44E-119,1.64E-201,8.08E-306,0,0,0,0,0,0,0,0,0,0,0,0.2516794,3.49551831,0.283734146,4.042679073,0.232592806,1.325073095,1.367138128,0.417765671,0.08116269,0.269170162,1.067046706,0.126661854,0.003583749,0.001406991,5.00E-21,3.43E-60,4.54E-121,1.16E-203,5.69E-308,0,0,0,0,0,0,0,0,0,0,0,0.765034346,3.214432911,0.629410588,3.563687227,0.523739761,1.329307468,0.934316411,0.815119184,0.044639513,0.625082779,1.314247753,0.546944588,0.037344724,0.01466193,5.21E-20,3.57E-59,4.73E-120,1.21E-202,5.93E-307,0,0,0,0,0,0,0,0,0,0,0,2.650193139,3.495079447,3.379305695,10.33521165,4.175273894,1.418965284,2.326020655,3.963025104,0.084499931,3.778454089,2.607827339,3.637009084,0.45334933,0.177990771,6.33E-19,4.34E-58,5.74E-119,1.46E-201,7.20E-306,0,0,0,0,0,0,0,0,0,0,0,1.119938123,3.107627496,0.792051416,3.673099697,0.688720195,1.334945616,0.83251898,1.021734344,0.030989108,0.805922014,1.512190224,0.945779663,0.08111751,0.031847671,1.13E-19,7.76E-59,1.03E-119,2.62E-202,1.29E-306,0,0,0,0,0,0,0,0,0,0,0,3.384123505,3.439964249,4.207424707,12.77102894,5.670276675,1.447839105,2.588597699,5.030628011,0.078440227,4.874922631,3.28711876,5.521180612,0.742065543,0.29134462,1.04E-18,7.10E-58,9.39E-119,2.40E-201,1.18E-305,0,0,0,0,0,0,0,0,0,0,0,1.722265036,3.568266985,2.629830572,13.52415316,3.051254262,1.308891785,4.007977667,4.695975108,0.28382404,4.806388747,2.241493449,1.759552888,0.169356087,0.066491232,2.36E-19,1.62E-58,2.14E-119,5.47E-202,2.69E-306,0,0,0,0,0,0,0,0,0,0,0,5.739589443,0.749860253,0.391062371,0.834180565,0.108983204,0.584376269,0.433179952,0.470570081,6.880512067,6.841669574,15.40527106,0.751270847,1.488126302,4.111158228,0.612475685,0.065612924,0.858414354,0.127885596,0.314405582,0.253682448,0.013246802,4.789246837,2.827915886,7.782375046,0.78762153,0.581334831,4.969811197,0.592281228,0.197078865,0.862938598,0.102841398,0.441827951,0.270418246,0.119512232,5.759171289,4.039696737,10.37897476,0.794407897,0.831758429,5.546374904,0.77453177,0.366961376,0.82931883,0.115811461,0.546844838,0.463974663,0.414355364,6.68786805,6.615372181,14.8796489,0.743978245,1.425174864,5.377541555,0.591321303,0.26668865,0.86240031,0.094830634,0.513961725,0.270384284,0.218847364,6.235551508,4.771682858,11.85526557,0.793600465,1.003193373,5.79162191,0.780053699,0.411818664,0.829330087,0.111699626,0.594920599,0.468514254,0.521848338,6.983494273,7.224114759,16.06811354,0.74399513,1.58528319,5.616654286,0.788054694,0.370853144,0.828957684,0.116308386,0.560977835,0.480446434,0.423190768,6.775562124,6.801437238,15.21848096,0.743436526,1.464615037 +UMLKV0202,L,ISOPROPYL ACETATE,CC(C)OC(=O)C,C5H10O2,"Acetyl (has 2 C-O bonds, formed by reaction of aldehyde & alcohol)",,108-21-4,2.603368154,PubChem,,0.5323,0,-0.029,8.41E-04,26.9114,17.07193,0,0,17,7,10,0,5,0,2,0,0,0,0,0,0,0,1243.417247,1130.35521,1471.601735,909.326256,819.198668,245.0952,18.289152,0,0,2861.203507,3326.105375,3898.212699,3547.102556,2961.626302,1962.172413,559.5073998,0,0,131.590652,123.89952,216.79958,236.443656,176.262464,162.393984,120.932352,0,0,19.67703705,23.5201631,28.36363554,26.58574343,23.92820723,17.90497835,8.003032287,0,0,2854.050872,2371.638531,4586.204481,4937.301463,3940.943991,3503.329189,3328.517736,0,0,87.80555556,50.16666667,95.22222222,90.83333333,68,69,18,0,0,73.142191,70.64720063,52.55720482,31.35607779,34.13327783,11.6712,1.016064,0,0,168.3060886,207.8815859,139.2218821,122.3138812,123.4010959,93.43678159,31.08374443,0,0,7.740626588,7.74372,7.742842143,8.153229517,7.344269333,7.733046857,6.718464,0,0,1.157472768,1.470010194,1.012986984,0.916749773,0.997008635,0.852618017,0.444612905,0,0,167.8853454,148.2274082,163.7930172,170.2517746,164.2059996,166.8251995,184.917652,0,0,5.16503268,3.135416667,3.400793651,3.132183908,2.833333333,3.285714286,1,0,0,0.253801952,-0.168264327,0.131426407,-0.122079814,0.055827386,-0.039157243,0.015346615,0,0,629.8202065,-12.09745997,256.6819908,-491.4706006,66.91561551,-584.9078849,449.9682359,0,0,780.5766247,-146.4197851,9.823148243,-118.6555095,-20.67320392,-656.4329226,542.0699606,0,0,1.881607059,-0.015005232,0.877271903,-1.642178159,0.108219917,-0.790752955,0.521640997,0,0,3.424768994,-1.080059213,-0.940331843,1.045144861,-0.512622795,-1.965130644,1.740615137,0,0,19.34959846,-6.628413839,-6.450044287,7.717005127,-3.48392389,-9.284905246,8.455482906,0,0,36.61437908,-2.878892734,17.28710111,-23.42387543,4.916955017,-23.94031142,9.73183391,0,0,0.014929527,-0.01051652,0.0046938,-0.004209649,0.002326141,-0.001864631,8.53E-04,0,0,37.04824744,-0.756091248,9.167213958,-16.94726209,2.788150646,-27.85275642,24.99823533,0,0,45.91627204,-9.151236571,0.350826723,-4.091569294,-0.861383497,-31.2587106,30.11499781,0,0,0.110682768,-9.38E-04,0.031331139,-0.056626833,0.004509163,-0.037654903,0.028980055,0,0,0.201457,-0.067503701,-0.03358328,0.036039478,-0.021359283,-0.09357765,0.096700841,0,0,1.138211674,-0.414275865,-0.230358725,0.266103625,-0.145163495,-0.442138345,0.46974905,0,0,2.153787005,-0.179930796,0.617396468,-0.807719843,0.204873126,-1.140014829,0.540657439,0,0,-0.704410844,0.314397125,-0.281968,0.155808094,-0.124895495,0.057107619,0,0,-0.020408287,0.247439882,-0.457437619,0.075257289,-0.751796869,0.67474812,0,0,-0.199302691,0.007640575,-0.089109353,-0.018759874,-0.680776318,0.655867658,0,0,-0.008473107,0.28307152,-0.511613813,0.040739523,-0.340205646,0.261829875,0,0,-0.335077465,-0.166701977,0.178894146,-0.106024031,-0.464504335,0.480007352,0,0,-0.363970845,-0.202386542,0.233790982,-0.127536467,-0.388450018,0.412707988,0,0,-0.083541592,0.286656232,-0.375023083,0.095122278,-0.529307135,0.251026419,0,0,1.662351599,0.794201421,1.819115628,0.718428105,0.815901682,0.001898421,0,0,0.99899345,0.734936614,1.559340331,0.776517088,1.694314279,0,0,0,1.508256898,0.987417844,0.922998543,1.026428697,1.562806835,0,0,0,0.720275784,0.711637272,2.129449553,0.533928694,1.427686578,0,0,0,1.799320607,1.176525156,0.64582379,1.127995475,1.355589743,0,0,0,1.84360627,1.216302306,0.62490096,1.133313466,1.291627815,0,0,0,0.636513745,0.424197991,1.533011609,0.819350232,2.372214005,0,0,0,22.40803533,11.45401767,17.22302356,22.76517819,3.252168313,11.45405202,0.5,0.082563619,0.011794803,-1.745930302,29.68979492,4.241399275,2.373562367,22.42019644,11.4593638,17.23279623,22.77629012,3.253755732,11.45939796,0.498531158,0.082483901,0.011783414,-1.746606504,29.69702263,4.242431804,2.373732755,33.24255182,16.22228143,26.01300267,32.67255971,4.66750853,16.22228166,-0.797988956,0.033893166,0.004841881,-2.369179316,45.843267,6.549038142,2.677659838,22.43295993,11.46497476,17.24305337,22.7879525,3.255421785,11.46500872,0.4969896,0.082400315,0.011771474,-1.747316217,29.70462852,4.243518359,2.373912013,44.75556515,21.29548831,35.41771178,43.20943049,6.172775784,21.29548831,-2.164588529,0.008385209,0.001197887,-3.346900176,55.91502354,7.987860505,2.816683171,23.6824627,12.01436554,18.24905296,23.92979726,3.418542465,12.01438434,0.346268372,0.07460637,0.010658053,-1.816870572,30.5465881,4.3637983,2.393477098,21.67936099,11.14459,16.31885129,22.15017732,3.164311046,11.14464537,1.098571429,0.211061007,0.030151572,-1.088925639,22.37383045,3.196261493,2.175524395,0,11.89,15.99591715,-0.313091186,0.301801421,3.72174662,6.621130125,6,16,15,15,5,1,1,0,0,1,13.80607,3.511828774,3.123371714,2.333552793,2.14279327,1.690908236,0.772484697,0.083923071,0.083923071,1.759926773,1.533622391,1.249629723,0.653293177,0.378717191,0.083923071,0.083923071,0.083923071,3.392244367,3.088214382,2.405454588,2.054459074,1.509833621,0.541447266,0.270913902,0.270913902,1.74893207,1.503836717,1.134540686,0.738239464,0.352850544,0.270913902,0.270913902,0.270913902,3.598282853,3.283543256,2.704236987,2.439804522,1.950228387,1.164664016,0.943918427,0.943918427,1.514610912,1.246557074,0.76031856,0.307494046,0.125219843,0.943918427,0.943918427,0.943918427,3.376482633,3.088077797,2.457539916,2.036909838,1.516056245,0.447536303,0.399277246,0.399277246,1.753067238,1.482578202,1.058262671,0.754320772,0.316785825,0.399277246,0.399277246,0.399277246,3.61759015,3.336352667,2.838982085,2.509841208,2.042394285,1.208671216,1.207644823,1.207644823,1.478812455,1.195148933,0.631337262,0.245653983,0.24647246,1.207644823,1.207644823,1.207644823,4.662824635,3.422964293,2.787574972,2.587517045,2.332178388,1.196500944,0.555555556,0.555555556,1.598732576,1.241997601,0.920850378,0.283534122,0.111109956,0.555555556,0.555555556,0.555555556,0,0,1,0,0,3,1,0,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.319035594,0,0,0,0.471404521,0.942809042,0.23570226,0.165963653,0.262188697,0.048112522,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,4.89384685,2.298651089,1.658187544,0.401665913,0.331927305,0,0,0,0.699120979,0.383108515,0.236883935,0.100416478,0.082981826,0,0,0,9.138737228,17.10050983,16.3254902,16.6,9.953251497,131.4503174,0.537572778,1.005912343,0.960322953,0.976470588,0.585485382,7.73237161,0.9579,26.902,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,38,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,1,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.64305556,-0.212962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.309375,0.5125,0,0,0,0,0,0,0,0,0,0,5.044444444,0,0,0,0,0,0.025462963,0,0,-0.212962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.03194444,4.611111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.611111111,-0.212962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.376736111,0.5125,0,0,0,0,0,0,0,0,0,0,1.402777778,0,0,0,0,0,0.025462963,0,0,-0.212962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.03194444,4.611111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.03194444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,1.820833333,0,0,0,0,0,0.025462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.03194444,4.611111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.5,2.785714286,0.655208333,10.03194444,0.256944444,-0.212962963,2.220049537,1.87962963,3.031944444,8.286111111,1.87962963,3.031944444,8.286111111,3.16666,0.45238,0,0.04762,0.5549,0.91905,0.42174,0.5549,0.91905,0.13316,0,-0.13316,0,0.49223,0.22206,0,0.57895,0.31579,0,5.25,0.75,3.75,0.53571,1.5,0.21429,-2.25,-0.32143,0,0,4.80511,0.68644,7.47656,2.67145,0.38164,2.02263,0.28895,3.12588,1.10325,0.15761,0.28812,0.04116,0.28812,0.04116,0,6.02,2,2,2,2,0,0,0.8,1.332820405,2.015740432,2.777776811,2.777776811,2.537337821,2.056459839,22.65794688,34.26758735,47.22220579,47.22220579,43.13474295,34.95981727,0.326075235,0.49315199,0.679584603,0.679584603,0.620761073,0.503114015,2.754642437,2.071722409,1.30968603,1.30968603,1.55012502,2.031003002,0.326075235,0.49315199,0.679584603,0.679584603,0.620761073,0.503114015,12.49498498,21.16001527,21.92801461,21.92801461,18.08221348,12.31167771,25.89308809,17.03684232,17.28075429,17.28075429,15.35724237,12.47197448,7,3.06122449,6,7,3,3,1.79,0.8875,0.944940787,0,3.464101615,0,0,0,0,0.5,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.426,0.519,0.065,2.631,7,4,4,0,0,0,0,0,0,28,2.079441542,2.302585093,1.791759469,1.945910149,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,2.5,0.444444444,0.5,0,0,0,0,0,0,0,0.416666667,0.063492063,0.125,0,0,0,0,0,0,0,0.60515873,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,26.3,109.9803765,3.807354922,3.295836866,3.891820298,4.65396035,5.262690189,6.033086222,6.64509097,7.417580402,8.030409562,8.803424212,67.03389907,2.564949357,0,3.713572067,0,4.976733742,0,6.300785795,0,7.655864018,7.958576904,102.0680796,6.00400468,12.50916243,1.787023205,5.113027641,5.113027641,0,48,4,1.124,26,1.2270625,2.095775463,2.867071874,3.554020762,4.358642596,5.067810327,0,0,0,0,96.90864932,122.1149605,93.48476322,125.9532806,49.97234008,5.149219632,0,0,0,0,275.0821314,313.2357477,364.611593,461.1217689,413.8459218,157.526521,0,0,0,0,9.573754286,16.41431631,23.36529167,25.9708033,33.2050412,34.04790124,0,0,0,0,1.899056374,2.221638183,2.724159596,3.718724796,3.836159286,2.253213871,0,0,0,0,180.4501068,340.1509926,485.6714803,578.3166074,720.4674736,937.1275866,0,0,0,0,3.944479167,7.633972665,9.005469264,9.685833283,13.25723008,5.067810327,0,0,0,0,0.445526719,0.569246216,0.700054439,0.856636082,0.923449295,0.518943777,0,0,0,0,352.2888081,231.0473736,12.40245544,123.2994695,-80.86552267,-17.41435416,228.9893386,311.9128963,29.81680959,0.740743254,0.485813853,0.026078135,0.259256746,-0.170032624,-0.03661645,167.5444275,109.8834225,5.89846242,58.63978233,-38.45869464,-8.2820627,0.394243004,0.477332489,1.339028368,8.632118465,420.2178953,55.37038235,0.883574964,0.116425036,523.9030215,22.88892792,8.061520593,620.7733823,24.91532425,8.530563018,895.3647952,29.92264686,9.638290343,1.404697295,1.061308066,325.6471272,261.4885463,102.4316109,1.245359048,3.179166318,2.552811033,3.559977454,3.119969617,6.13449298,0.966202794,2.802231592,3.344487813,2.672441826,8.624435236,4.788432756,3.757653368,3.327343292,3.899390975,2.922037183,0.214777569,0.639204279,1.98E-06,3.05E-33,1.06E-81,7.26E-152,9.67E-244,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2516794,3.495518146,0.178571385,5.696535648,0.401687417,1.430846695,2.017798253,0.49233931,0.08182324,0.01800248,0.004501968,1.40E-08,2.15E-35,7.44E-84,5.11E-154,6.81E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765034346,3.214431204,0.497571717,4.34228845,0.793030661,1.727541797,1.60803911,0.954878766,0.371801306,0.058128901,0.046913978,1.46E-07,2.24E-34,7.76E-83,5.33E-153,7.09E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650193139,3.495058722,2.647166917,10.01609681,5.510753581,3.676058008,3.499081471,4.352872143,2.64565024,0.202717141,0.569519504,1.77E-06,2.72E-33,9.42E-82,6.47E-152,8.61E-244,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.119938123,3.107623787,0.726704645,3.914471404,0.914908092,1.952724986,1.553106942,1.152804314,0.656900914,0.085686181,0.101903428,3.16E-07,4.87E-34,1.68E-82,1.16E-152,1.54E-244,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.384123505,3.439930326,3.604316618,10.68257369,6.94656263,4.622056958,4.144487432,5.261975429,4.061767263,0.2594478,0.932219367,2.89E-06,4.45E-33,1.54E-81,1.06E-151,1.41E-243,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.711826225,3.264324626,1.488508589,18.40358881,4.251636675,2.923306753,5.73716519,5.766761236,1.147720011,0.132489167,0.197285271,6.12E-07,9.42E-34,3.26E-82,2.24E-152,2.98E-244,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.755414235,1.243163118,0.507166044,0.682090313,0.225793872,0.555407758,0.496300514,0.485892004,5.505743397,7.203701172,15.07719614,0.523135469,1.537600277,2.447448492,0.824326627,0.200436359,0.704867347,0.237406803,0.244598317,0.197571208,0.054055422,3.472211478,2.673279653,6.549870876,0.55730102,0.496224946,3.124834456,0.960676153,0.319545744,0.709374456,0.218084873,0.385875,0.290522266,0.179982148,4.405056353,4.307461471,9.671779429,0.564061685,0.856379414,3.60542072,1.221788186,0.49431863,0.677516126,0.22959351,0.512311597,0.474506968,0.447529294,5.321527536,6.791239734,14.29027071,0.516274189,1.434347859,3.448535511,1.043747727,0.373607745,0.708716147,0.2145029,0.468538289,0.350327326,0.263134355,4.865890983,5.27775291,11.48840802,0.563074221,1.08199997,3.800406643,1.277580122,0.530397859,0.67762946,0.227798236,0.568784193,0.523657577,0.530646864,5.608384624,7.548677291,15.73231536,0.51644419,1.623088634,3.652609148,1.235819791,0.500778244,0.677763727,0.22931384,0.525891192,0.485098565,0.458176542,5.389207184,6.961985535,14.61168902,0.516645591,1.469166298 +UMLKV0203,L,N-BUTYL ACETATE,CCCCOC(=O)C,C6H12O2,"Acetyl (has 2 C-O bonds, formed by reaction of aldehyde & alcohol)",,123-86-4,2.751490152,PubChem,,0.6908,0,-0.5943,0.35319249,28.1502,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1500.364299,1093.539141,892.809884,658.269575,471.635182,127.119888,9.144576,3346.887898,3979.09551,4674.696811,4229.393957,3468.224171,2735.992706,1994.669063,1120.963057,279.7536999,152.568096,145.6753,259.36554,290.811108,225.629696,202.915748,133.768576,111.43008,60.466176,23.35516286,28.53615172,35.91568508,33.79709197,28.20421271,22.72114496,16.77380788,10.95324725,4.001516144,3350.680532,2804.677982,5510.452524,6441.739092,4987.659569,4623.723082,2984.992532,2583.794029,1664.258868,90.77777778,54.58333333,100,94.58333333,74.33333333,65.16666667,51.5,39,9,69.4856748,68.35965826,44.12836174,28.77734582,29.76032947,24.38035463,26.20195456,8.4746592,1.016064,167.3443949,209.4260795,137.4910827,111.299841,115.6074724,101.3330632,110.8149479,74.73087045,31.08374443,7.6284048,7.667121053,7.628398235,7.652923895,7.520989867,7.515398074,7.431587556,7.428672,6.718464,1.167758143,1.501902722,1.056343679,0.889397157,0.940140424,0.841523887,0.931878216,0.730216483,0.444612905,167.5340266,147.6146306,162.0721331,169.5194498,166.255319,171.2490031,165.8329184,172.2529352,184.917652,4.538888889,2.872807018,2.941176471,2.489035088,2.477777778,2.413580247,2.861111111,2.6,1,0.263471322,-0.1595639,0.081759253,-0.050728747,-0.003630118,-0.00962487,0.021262404,-0.018112694,0.006903012,715.056216,-13.739645,42.068427,-154.431627,-119.176036,-36.355609,-96.096818,-187.1568,207.36,931.2646053,-148.2416011,-210.4695091,25.37537669,-155.2107675,107.2342175,-152.1352724,-196.0622248,263.877478,1.9334688,0.00145024,0.75963024,-0.78358752,-0.3222448,-0.41465248,-0.13838432,-0.2779776,0.20903184,4.097118945,-1.072153629,-1.377869305,0.629194129,-0.682853157,0.777756017,-0.675710977,-0.537017433,0.890094883,23.01673804,-6.548761719,-7.89227958,3.964362048,-3.836123006,4.554831377,-3.721214278,-2.432661993,4.403478133,37.42222222,-0.895555556,14.03222222,-11.47444444,-5.7,-6.536666667,-2.563333333,-9.183333333,3.61,0.013173566,-0.0083981,0.002404684,-0.001334967,-1.21E-04,-3.56E-04,0.001181245,-0.001207513,7.67E-04,35.7528108,-0.723139211,1.237306676,-4.063990184,-3.972534533,-1.346504037,-5.338712111,-12.47712,23.04,46.56323026,-7.80218953,-6.190279679,0.667773071,-5.173692252,3.971637685,-8.451959578,-13.07081499,29.31971978,0.09667344,7.63E-05,0.022342066,-0.020620724,-0.010741493,-0.015357499,-0.007688018,-0.01853184,0.02322576,0.204855947,-0.056429138,-0.040525568,0.01655774,-0.022761772,0.028805778,-0.037539499,-0.035801162,0.098899431,1.150836902,-0.344671669,-0.23212587,0.104325317,-0.127870767,0.168697458,-0.206734127,-0.162177466,0.489275348,1.871111111,-0.047134503,0.412712418,-0.301959064,-0.19,-0.242098765,-0.142407407,-0.612222222,0.401111111,-0.637496327,0.182538569,-0.1013368,-0.009185359,-0.027059998,0.089667799,-0.091661814,0.058222759,-0.02022608,0.034607256,-0.11366911,-0.111111111,-0.037661488,-0.149322864,-0.348982911,0.644424857,-0.167561174,-0.132943519,0.01434121,-0.111111111,0.085295579,-0.181515748,-0.280711087,0.629675382,7.90E-04,0.231108626,-0.213302891,-0.111111111,-0.158859551,-0.079525646,-0.191695258,0.240249649,-0.275457653,-0.197824707,0.080826261,-0.111111111,0.140614802,-0.183248274,-0.174762621,0.482775496,-0.299496539,-0.201701796,0.090651696,-0.111111111,0.146586765,-0.179638076,-0.140921329,0.425147427,-0.025190649,0.22057077,-0.161379547,-0.101543943,-0.129387701,-0.076108472,-0.32719715,0.214370546,1.614770191,0.88688163,1.215119583,0.971888758,1.073202003,0.817645177,0.673700192,0.003845996,1.04922138,0.951186959,1.105288984,1.055555556,0.977734979,1.058345506,1.240515037,0,1.505949528,1.1618184,0.862503782,1.055555556,0.766062269,1.134803606,1.088878456,0,0.713221749,0.738250888,1.413593537,1.055555556,1.206469334,0.892577113,1.154931696,0,1.749688453,1.254801494,0.776384745,1.055555556,0.677559111,1.138918354,0.941917017,0,1.787392882,1.264308948,0.773970285,1.055555556,0.670008885,1.130344134,0.902603949,0,0.583432304,0.465617141,1.193586698,1.046466746,1.175277118,1.425611144,1.929334917,0,34.50014801,17.500074,27.93741811,34.87514801,4.359393501,17.5000741,0.5,0.18607285,0.023259106,-1.345293613,41.62163315,5.202704143,2.982896048,34.51364406,17.50608761,27.94750404,34.88754243,4.360942803,17.5060877,0.498531158,0.185850434,0.023231304,-1.346250439,41.74045697,5.217557121,2.98517668,46.52825888,22.86513496,37.3041145,45.92976716,5.741220895,22.86513496,-0.797988956,0.044440943,0.005555118,-2.490875276,27.85083888,3.48135486,2.66149047,34.5278086,17.5123991,27.95809097,34.9005508,4.362568849,17.51239919,0.4969896,0.18561719,0.023202149,-1.347255077,41.86680104,5.23335013,2.98759454,59.33203958,28.58372553,47.69962126,57.70859819,7.213574773,28.58372553,-2.164588529,0.031846802,0.00398085,-2.75745465,26.55665637,3.319582047,2.623424342,35.91442872,18.13034855,29.00125913,36.17413,4.52176625,18.13034859,0.346268372,0.163702022,0.020462753,-1.447765953,94.39914485,11.79989311,3.638025611,33.51626502,17.03992162,27.81795691,34.10316978,4.262896222,17.03992181,1.173809524,0.329501074,0.041187634,-0.888140533,26.038756,3.2548445,2.607668835,0,11.89,15.99591765,-0.31586015,0.301592178,3.682449468,6.502824698,7,19,18,18,6,1,1,0,0,1,15.992484,3.500630443,3.250120499,2.714895856,2.141477353,1.917060997,1.332129405,0.948258328,0.083923071,1.821305047,1.569929961,1.371148277,0.906015277,0.595941221,0.456559797,0.083923071,0.083923071,3.417552268,3.192262627,2.725476731,2.092255199,1.868778465,1.379458315,0.603774058,0.270913902,1.780485008,1.574600976,1.289549175,0.829987484,0.601206544,0.419560757,0.270913902,0.270913902,3.602695513,3.393823465,2.963492019,2.454301051,2.244300135,1.840352289,1.22636372,0.943918427,1.563920922,1.317994844,0.980116579,0.409179076,0.172888313,0.099689239,0.943918427,0.943918427,3.421095,3.17469022,2.75326062,2.103666874,1.879646004,1.450770231,0.459589502,0.399277246,1.766306475,1.572972777,1.236896556,0.790655613,0.592160761,0.326861,0.399277246,0.399277246,3.637317587,3.430233647,3.056783369,2.550498221,2.34400438,2.023192543,1.208936353,1.207644823,1.513561485,1.284205674,0.888020188,0.303971082,0.086507277,0.282295867,1.207644823,1.207644823,4.861486978,3.463495406,3.097686348,2.797756057,2.362714722,1.756646356,1.451447193,0.590163934,1.683714577,1.233045469,1.095116549,0.567908076,0.202127915,0.13822051,0.590163934,0.590163934,0,0,1,0,0,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.083333333,0,0,0,0.288675135,0.204124145,0.144337567,0.058925565,0.041666667,0.029462783,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,5.437816924,2.904030206,1.693596727,0.803216163,0.36023509,0.17380035,0.101631566,0,0.679727116,0.414861458,0.24194239,0.160643233,0.090058773,0.05793345,0.050815783,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.3496,31.541,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.73967971,-0.181990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.51231576,0.5125,0,0,0,0,0,0,0,0,0,0,3.485273998,0,2.623703704,0,0,0,0,0,0,-0.181990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.09634637,4.643333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.643333333,-0.181990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272454649,0.5125,0,0,0,0,0,0,0,0,0,0,1.42625,0,0.575231481,0,0,0,0,0,0,-0.181990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.09634637,4.643333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.09634637,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,2.059023998,0,1.076666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.09634637,4.643333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.66666667,2.583333333,0.644975907,10.09634637,0.265555556,-0.181990741,2.795924247,1.848657407,3.096346372,8.597407407,1.848657407,3.096346372,8.597407407,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.36364,0.13636,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,5.67104,0.70888,8.40872,2.73768,0.34221,2.65409,0.33176,3.77005,1.11596,0.1395,0.14395,0.01799,0.14395,0.01799,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,2.070950594,3.346439345,3.546439345,3.546439345,3.33034294,25.90923688,41.41901189,66.92878689,70.92878689,70.92878689,66.6068588,0.299741647,0.479172848,0.774293156,0.820568799,0.820568799,0.770568799,3.026466251,2.2509775,0.97548875,0.77548875,0.77548875,0.991585155,0.299741647,0.479172848,0.774293156,0.820568799,0.820568799,0.770568799,12.01211119,21.71746765,24.10215464,24.30371965,24.30371965,21.71056279,29.38046565,17.93632218,16.22221018,15.69343894,15.69343894,14.39686051,8,5.142857143,7.2,8,3,4,1.9,1.0284,0.166666667,2.249576847,0.894427191,0,2.381101578,1.040041912,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,3.358,7,5,4,3,2,0,0,0,0,36,2.197224577,2.302585093,1.945910149,1.791759469,1.609437912,1.386294361,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,26.3,127.2763612,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,116.0837296,5.804186481,14.66595917,1.833244896,5.216499833,5.216499833,0,79,5,1.591,28,1.230631579,2.107918638,2.853134227,3.653882031,4.795544934,5.791635925,6.965917857,7.802462487,0,0,94.58963281,102.4202046,93.08542556,129.2091942,130.5922439,168.5364061,60.43670856,7.927801245,0,0,279.0386343,309.1169811,342.8944298,473.8583665,524.7238099,693.1158109,534.6753242,242.5297499,0,0,9.500427541,16.20331326,21.89434951,27.60499927,36.18808614,42.9893138,51.67451113,52.42056333,0,0,1.953218228,2.32659121,2.676717754,3.746180655,4.266250977,5.749000252,5.217158362,3.469075511,0,0,180.0610686,338.5646481,480.5209183,596.6441771,815.1385625,947.475228,1193.44104,1442.813043,0,0,3.636017544,6.534565569,7.21519877,9.181540495,11.75277701,16.64968367,17.97858853,7.802462487,0,0,0.448387105,0.565067128,0.656599323,0.896429878,1.031118231,1.349466149,1.261537936,0.798972159,0,0,368.5735154,269.1589328,13.11073224,178.9509508,-130.6828758,-20.90325156,189.6225647,399.8418086,34.01398381,0.673163554,0.491592521,0.023945473,0.326836446,-0.238679518,-0.038177749,201.8030173,147.371101,7.178446674,97.9800238,-71.55207181,-11.44504165,0.35372805,0.432473349,3.203789809,3.76880309,490.5942831,56.9301831,0.896022577,0.103977423,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,950.3028124,30.82698189,9.831520102,2.061351231,2.061351231,726.0954081,669.3967886,73.42801577,1.084701063,9.888533695,9.116367664,4.221732772,4.466158665,8.529789551,0.90987159,3.360032699,4.293028381,3.358213502,13.95267678,5.337512191,1.4668465,4.780520974,6.791104618,1.499396077,2.959560315,2.860596092,1.474822786,1.556683321,3.682205535,0.042739644,1.946808283,5.00E-10,2.63E-41,2.68E-94,5.24E-169,1.98E-265,0,0,0,0,0,0,0,0,0,0.298491782,4.443993512,0.305851083,5.050066213,0.242949038,1.325449919,1.705210947,0.489461561,0.256847795,0.230835515,2.014191352,0.105201593,0.225186518,0.02601786,0.003584233,0.01371153,3.52E-12,1.85E-43,1.88E-96,3.69E-171,1.40E-267,0,0,0,0,0,0,0,0,0,0.91615042,4.162911006,0.702620295,4.782310664,0.630424497,1.33322088,1.558605959,1.221075909,0.300435373,0.469342688,2.181740782,0.290747713,0.340402237,0.270466581,0.011572061,0.142884713,3.67E-11,1.93E-42,1.96E-95,3.85E-170,1.45E-266,0,0,0,0,0,0,0,0,0,3.176711882,4.44359216,3.657124959,14.11479787,5.465591539,1.466449582,5.499890736,6.669290253,1.451348308,3.347041315,2.807310324,1.471983848,1.461770294,3.280835917,0.040340941,1.734571131,4.45E-10,2.35E-41,2.38E-94,4.67E-169,1.77E-265,0,0,0,0,0,0,0,0,0,1.342655413,4.056109269,0.901783862,5.162670851,0.920066577,1.343459173,1.538245683,1.771328398,0.390809739,0.558472177,2.298327498,0.4177826,0.455337269,0.587284735,0.017056828,0.310364691,7.97E-11,4.20E-42,4.27E-95,8.36E-170,3.16E-266,0,0,0,0,0,0,0,0,0,4.057749124,4.38850086,4.574267035,18.32275477,7.781645779,1.525635399,6.34198771,9.287309528,2.04425206,4.294955111,3.060892419,1.971950235,2.137275882,5.369880395,0.05162282,2.839236917,7.29E-10,3.84E-41,3.90E-94,7.65E-169,2.89E-265,0,0,0,0,0,0,0,0,0,2.093644735,4.477232829,2.900511373,16.02163727,3.696245843,1.377734061,7.035654087,5.519217841,1.160750809,2.729436661,2.661059819,1.348778181,1.058098963,1.282864034,0.029760058,0.678060611,1.74E-10,9.17E-42,9.32E-95,1.83E-169,6.90E-266,0,0,0,0,0,0,0,0,0,7.373998833,0.81450762,0.414987615,0.857093499,0.094671724,0.567195166,0.484713935,0.499981437,8.603494067,9.404307002,20.50029065,0.785640248,1.551890538,6.001986767,0.580757656,0.072022644,0.901907866,0.087269419,0.384761524,0.225879396,0.015059888,6.654767067,3.959806425,10.86562281,0.8528618,0.625700807,6.672986432,0.613460714,0.210524282,0.890090952,0.081827805,0.466313652,0.27735114,0.128673169,7.496971428,5.627589072,13.98636586,0.835136427,0.872337961,7.237144103,0.826795896,0.391942828,0.855870907,0.097777596,0.547041793,0.502979387,0.445994038,8.455882827,9.144244493,19.94537251,0.78380636,1.496015218,6.99501676,0.63818221,0.281990891,0.883745922,0.08062753,0.510685567,0.298771665,0.230862698,7.91518986,6.616587827,15.79061188,0.825618883,1.04031993,7.43323504,0.847294052,0.437491478,0.852628757,0.097188811,0.576332855,0.524427695,0.555677491,8.718020569,9.920796747,21.39419807,0.778943135,1.656438041,7.313177127,0.840097406,0.395511045,0.855463862,0.098270965,0.558779481,0.519745651,0.454151592,8.548785578,9.368491264,20.34721014,0.783195793,1.532676724 +UMLKV0204,L,N-PENTYL ACETATE,CCCCCOC(=O)C,C7H14O2,"Acetyl (has 2 C-O bonds, formed by reaction of aldehyde & alcohol)",,628-63-7,2.871514863,PubChem,,0.8073,0,-0.8823,0.77845329,31.0618,23.259102,0,0,23,9,14,0,7,0,2,0,0,0,0,0,0,0,1536.009745,1467.311804,1694.072836,1290.29587,1089.566613,898.906268,658.269575,471.635182,127.119888,3832.572288,4632.085644,5588.243923,5236.192301,4475.022516,3654.726637,2735.992706,1994.669063,1120.963057,173.54554,167.45108,302.095048,353.696008,288.514596,265.94048,202.915748,133.768576,111.43008,27.03328867,33.55214034,43.60337522,42.81862083,37.22574157,30.87189014,22.72114496,16.77380788,10.95324725,3847.310193,3237.717434,6434.654723,7920.694247,6466.614724,6097.165481,4623.723082,2984.992532,2583.794029,95.02777778,59.83333333,109.25,106.8333333,85.58333333,80.33333333,65.16666667,51.5,39,66.78303239,66.69599109,42.3518209,27.45310362,27.93760546,24.96961856,24.38035463,26.20195456,8.4746592,166.6335777,210.5493475,139.7060981,111.4083468,114.7441671,101.5201844,101.3330632,110.8149479,74.73087045,7.545458261,7.611412727,7.5523762,7.525446979,7.397810154,7.387235556,7.515398074,7.431587556,7.428672,1.175360377,1.525097288,1.090084381,0.911034486,0.954506194,0.857552504,0.841523887,0.931878216,0.730216483,167.2743562,147.1689743,160.8663681,168.5254095,165.8106339,169.3657078,171.2490031,165.8329184,172.2529352,4.131642512,2.71969697,2.73125,2.273049645,2.194444444,2.231481481,2.413580247,2.861111111,2.6,0.267740791,-0.15945756,0.079959346,-0.051920242,-0.012659906,0.016691166,-0.015916562,0.020665538,-0.018134848,799.1117029,-15.00476101,-5.477842469,-145.7386013,-109.7960136,11.34199864,-41.26356763,-96.70761016,-191.7048757,1081.795272,-149.5950004,-291.6044176,24.75657528,-153.9608026,17.30891135,104.2105672,-152.2166655,-198.4455116,1.975925913,0.013204083,0.789045369,-0.681585996,-0.247518896,-0.200742473,-0.410086941,-0.143250193,-0.281461248,4.769103567,-1.066326256,-1.688620916,0.641212627,-0.679950381,-0.079408475,0.788674944,-0.675899995,-0.529096576,26.67799994,-6.490143964,-9.469081274,4.105018536,-3.789420971,-0.809084441,4.660228463,-3.724255341,-2.357931401,38.15700483,-0.558391094,14.48057131,-9.677116152,-5.106805293,-3.622558286,-6.448802773,-2.271424071,-8.823408948,0.011640904,-0.007248071,0.001998984,-0.001104686,-3.25E-04,4.64E-04,-5.90E-04,0.001148085,-0.00120899,34.74398708,-0.682034591,-0.136946062,-3.100821303,-2.815282399,0.315055518,-1.528280283,-5.372645009,-12.78032505,47.03457702,-6.799772747,-7.290110439,0.526735644,-3.947712887,0.480803093,3.859650637,-8.456481415,-13.22970077,0.085909822,6.00E-04,0.019726134,-0.01450183,-0.006346638,-0.00557618,-0.015188405,-0.007958344,-0.018764083,0.207352329,-0.048469375,-0.042215523,0.013642822,-0.017434625,-0.002205791,0.029210183,-0.03755,-0.035273105,1.159913041,-0.295006544,-0.236727032,0.08734082,-0.09716464,-0.022474568,0.172601054,-0.206903074,-0.157195427,1.65900021,-0.025381413,0.362014283,-0.205896088,-0.130943725,-0.100626619,-0.238844547,-0.126190226,-0.588227263,-0.62263815,0.171720655,-0.094896926,-0.027885548,0.039828822,-0.050640596,0.098625112,-0.103857045,-0.019630291,-0.003941576,-0.089247711,-0.081029342,0.009067915,-0.0439869,-0.154635247,-0.367842787,-0.144569659,-0.154994706,0.011198903,-0.083932144,0.010222333,0.082059856,-0.179792866,-0.281276066,0.006986228,0.229614422,-0.16880293,-0.073875585,-0.06490736,-0.176794746,-0.09263602,-0.21841604,-0.233753706,-0.203593194,0.065795363,-0.084082128,-0.010637889,0.140872221,-0.181092732,-0.170111931,-0.254335052,-0.204090327,0.075299455,-0.083768901,-0.01937608,0.148805167,-0.178378091,-0.135523458,-0.015299223,0.218212319,-0.124108537,-0.0789293,-0.060654977,-0.143968967,-0.076064021,-0.354567323,1.612592009,0.884576556,1.143294316,0.892097373,0.891203962,1.22804873,0.934256064,0.767771123,1.090358552,1.004347089,1.067728921,1.012201879,0.911384472,1.013031449,1.096552035,1.28529793,1.504503624,1.213276632,0.889916544,1.044132704,0.876792745,0.763591649,1.131143762,1.085366725,0.709899086,0.724184541,1.306165132,0.933510553,0.996633409,1.366947638,1.011303099,1.30855473,1.714180848,1.293107351,0.821975507,1.045782533,0.87500543,0.673997193,1.132931078,0.936965374,1.747015013,1.298987705,0.81697095,1.042337028,0.878738061,0.669329782,1.129198447,0.901689094,0.57874913,0.456647623,1.102016408,0.936302414,0.990304066,1.334641599,1.618920259,2.190947648,45.63188647,23.06594323,37.01489929,46.02077536,5.113419484,23.06594323,0.5,0.182518498,0.020279833,-1.530813376,36.77929773,4.086588637,3.244441613,45.6465285,23.07252983,37.02556091,46.03427496,5.11491944,23.07252983,0.498531158,0.182281781,0.020253531,-1.531981388,36.78117688,4.086797431,3.244487595,58.69565721,28.94883413,46.99614112,58.07499914,6.452777682,28.94883413,-0.797988956,0.016831781,0.001870198,-3.676037821,46.72106221,5.191229134,3.459775566,45.66189583,23.07944272,37.03675224,46.0484433,5.1164937,23.07944272,0.4969896,0.18203347,0.020225941,-1.533208239,36.78321177,4.08702353,3.244537385,72.62832548,35.23186848,58.25731474,70.94475663,7.882750736,35.23186848,-2.164588529,0.085715508,0.009523945,-2.211049363,32.45868799,3.606520887,3.131971328,47.1664642,23.75636628,38.14017196,47.43578404,5.270642671,23.75636628,0.346268372,0.158374071,0.017597119,-1.658515958,37.29418825,4.143798695,3.256953753,45.47119041,23.00184523,37.82475288,46.12374773,5.124860859,23.00184523,1.174603175,0.319352431,0.035483603,-1.027313989,46.22440857,5.136045397,3.450157184,0,11.89,15.99591816,-0.315863533,0.301597074,3.702097691,6.817212756,8,22,21,21,7,1,1,0,0,1,18.178898,3.512042248,3.314728634,2.900626581,2.333550439,2.070493521,1.668001757,1.232217321,0.946809698,1.857720121,1.598763241,1.483615856,1.101558782,0.755860301,0.557278063,0.456077465,0.083923071,3.45751699,3.233670946,2.916306874,2.338378118,1.988987236,1.678727099,1.309590153,0.603773608,1.809784218,1.607652208,1.409141737,1.017428657,0.692445487,0.546968431,0.388448668,0.270913902,3.623797209,3.442651427,3.119375948,2.638421604,2.362428242,2.077815151,1.783785582,1.226363441,1.606518748,1.351090758,1.136526967,0.646045004,0.262697799,0.090290412,0.143367208,0.943918427,3.468270048,3.21011147,2.941276454,2.368622793,1.980744455,1.725597828,1.388938761,0.459589502,1.787835016,1.612736638,1.361151249,0.96260476,0.681160578,0.492972105,0.288548449,0.399277246,3.666217117,3.47017764,3.202194046,2.746740127,2.440046245,2.222861839,1.977591366,1.208936353,1.553423458,1.321183712,1.056243709,0.537700073,0.184420972,0.047572781,0.335275493,1.207644823,4.918791995,3.500204456,3.222747429,2.862362146,2.624369538,2.068877022,1.645433185,1.4454835,1.731519243,1.321998527,1.163670651,0.792883325,0.387979984,0.148197433,0.157979892,0.6,0,0,1,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.083333333,0,0,0,0.288675135,0.204124145,0.144337567,0.058925565,0.041666667,0.029462783,7.112884175,4.27005561,3.243182156,1.635027805,0.979362553,0.567513903,0.306186218,0.204124145,0.790320464,0.533756951,0.40539777,0.272504634,0.195872511,0.141878476,0.102062073,0.102062073,6.144923706,3.404030206,2.047150118,1.053216163,0.567959596,0.254724675,0.122895406,0.07186437,0.682769301,0.425503776,0.255893765,0.175536027,0.113591919,0.063681169,0.040965135,0.035932185,12.22239284,22.87618354,21.77647059,22.12,13.55036048,177.5068275,0.531408384,0.994616676,0.946803069,0.96173913,0.589146108,7.717688154,1.7397,36.158,26.27222476,41.81111968,52.54444952,5.838272169,26.27222476,0.068226739,0.007580749,-2.41642685,44.11417306,4.901574784,3.408103004,87,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,1,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.88967545,-0.174904573,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.764726828,0.5125,0,0,0,0,0,0,0,0,0,0,3.555270692,0,3.896625094,0,0,0,0,0,0,-0.174904573,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18467545,4.705,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.705,-0.174904573,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252411069,0.5125,0,0,0,0,0,0,0,0,0,0,1.436454082,0,0.586481481,0,0,0,0,0,0,-0.174904573,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18467545,4.705,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18467545,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,2.11881661,0,1.167921391,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18467545,4.705,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.16666667,2.462962963,0.625444657,10.18467545,0.237777778,-0.174904573,3.438711779,1.84157124,3.184675454,9.016984127,1.84157124,3.184675454,9.016984127,4.16666,0.46296,0,0.03704,0.52319,0.87037,0.42414,0.52319,0.87037,0.09905,0,-0.09905,0,0.53191,0.18238,0,0.32,0.12,0,6.25,0.69444,4.75,0.52778,1.5,0.16667,-3.25,-0.36111,0,0,6.98396,0.776,9.8423,2.85833,0.31759,3.15409,0.35045,4.27005,1.11596,0.124,0.14395,0.01599,0.14395,0.01599,0,8.02,2,2,2,2,0,0,0.857142857,1.264672679,1.999307329,3.348798912,3.675310869,3.551191174,3.762267391,29.08747163,45.98406858,77.02237498,84.53214998,81.67739701,86.53214998,0.279574524,0.441976334,0.740301326,0.812481603,0.785043116,0.831704623,3.258889277,2.524254627,1.174763044,0.848251087,0.972370782,0.761294565,0.279574524,0.441976334,0.740301326,0.812481603,0.785043116,0.831704623,11.60803893,20.77103861,24.40354894,23.77677456,24.60752493,24.82025282,32.94327953,20.86971424,17.35413965,17.47483124,16.78859037,16.15819021,9,6.125,8,9,3,5,2.01,1.1693,0.142857143,2.576474029,0.816496581,0,3.965406457,1.208550159,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,3.857,8,6,5,4,3,2,0,0,0,45,2.302585093,2.397895273,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,0,0,0,3.988984047,1.177777778,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.625,7,0.875,0,4,7,0.75,1.5,0.444444444,0.25,0.16,0.111111111,0.081632653,0,0,0,0,0.1875,0.055555556,0.041666667,0.032,0.027777778,0.027210884,0,0,0,0,0.371710884,26.27222476,41.81111968,52.54444952,5.838272169,26.27222476,0.068226739,0.007580749,-2.41642685,44.11417306,4.901574784,3.408103004,26.3,144.5723458,4.169925001,3.496507561,4.110873864,4.795790546,5.433722004,6.124683391,6.771935556,7.463363046,8.115221973,8.805824813,72.11792275,2.833213344,0,3.891820298,0,5.081404365,0,6.329720906,0,7.609366538,7.940939762,130.0993797,5.656494769,16.66375611,1.851528457,5.239120384,5.239120384,0,114,6,2.16,32,1.233227273,2.11587132,2.85785065,3.647342364,4.837085379,5.820711086,7.108444577,8.043673871,9.163916316,0,92.90307534,98.69457906,90.0740279,123.2099834,137.5628444,160.8053496,199.3640499,70.1665175,9.311125467,0,281.9160909,315.3378381,345.7634766,476.0007003,531.6070475,643.7112127,828.5301031,621.8867409,284.8488327,0,9.447098999,16.08808462,21.56370028,27.12964944,35.89445692,43.94453876,52.81048957,59.62612622,61.56744187,0,1.992608666,2.412318875,2.755455688,3.8360294,4.37925438,5.226689996,6.899059392,6.068418954,4.074395453,0,179.7781318,337.2208987,478.2943751,592.7890191,812.0236857,986.7240623,1169.52097,1375.876169,1694.569888,0,3.447731061,6.064504242,6.602507176,8.147709371,11.05081647,14.25467968,20.40887452,20.67465528,9.163916316,0,0.450467386,0.571900178,0.656724816,0.89220654,1.049242886,1.262873726,1.62594554,1.463621325,0.938385031,0,391.1905936,306.4840051,12.75709636,195.8381894,-153.4323003,-22.24352212,195.3524042,459.9163054,35.00061848,0.666390823,0.522093659,0.021731637,0.333609177,-0.261371,-0.037891706,229.6401381,179.9149325,7.488782752,114.962654,-90.06917651,-13.05758772,0.329712008,0.403110775,1.866419642,4.063968567,532.5837306,54.44505242,0.907253181,0.092746819,648.0661598,25.45714359,8.653791915,783.6846649,27.99436845,9.219636166,1064.778679,32.63094665,10.21142728,2.435569495,2.435569495,1075.99638,1015.776457,80.27855208,1.059284621,13.40328584,12.65314871,4.632872691,5.327226435,9.768140747,0.833625971,3.917833806,5.241545688,3.654546008,18.92555454,7.312361839,1.466862141,5.574732093,6.9951913,4.118195758,1.34757348,4.679603103,1.947482036,2.612574573,0.010463711,3.717858731,0.769637728,3.988913948,0.806306342,0.009253927,1.10E-23,2.50E-66,1.10E-130,9.34E-217,0,0,0,0,0,0,0,0.345304163,5.392468715,0.327968015,6.063458812,0.257015382,1.325465431,1.827769296,0.481595278,1.422699516,0.035796926,2.180737197,0.200365532,0.322534995,0.009731129,0.214618149,0.707413239,0.240731552,0.005678883,6.52E-05,7.71E-26,1.76E-68,7.75E-133,6.58E-219,0,0,0,0,0,0,0,1.067266495,5.111389101,0.775829952,6.063515618,0.775771465,1.333236401,1.818261696,1.225439957,1.639388315,0.166489101,2.328829099,0.405938178,0.617954303,0.005685413,0.523237283,0.719100989,0.839070075,0.059178328,6.79E-04,8.04E-25,1.83E-67,8.08E-132,6.86E-218,0,0,0,0,0,0,0,3.703230625,5.392104873,3.934943619,18.65410212,7.225255344,1.466465208,6.252983308,6.818571835,4.593123728,1.218776851,4.644098399,2.262215963,2.485855158,0.012479918,3.902295386,0.765469813,3.700463904,0.718404436,0.008245082,9.76E-24,2.23E-66,9.80E-131,8.32E-217,0,0,0,0,0,0,0,1.565372702,5.004591042,1.0115162,6.788177422,1.235392493,1.343474705,1.892014854,1.801124689,1.719031018,0.29690392,2.492515058,0.472162075,0.853052688,0.004336473,0.718187202,0.72742522,1.299320878,0.128543233,0.001475282,1.75E-24,3.98E-67,1.75E-131,1.49E-217,0,0,0,0,0,0,0,4.731374743,5.337037471,4.941108371,25.11802687,10.66126527,1.525651099,7.28844281,9.584610342,5.37252611,1.879506868,5.843047245,2.720690916,3.444858358,0.013203878,5.347338296,0.785476778,5.12389221,1.175922017,0.013495982,1.60E-23,3.65E-66,1.60E-130,1.36E-216,0,0,0,0,0,0,0,2.465227058,5.395997628,3.151576575,18.79749692,4.531794974,1.424053845,7.764987277,5.697952184,4.556990411,0.546717701,3.696002306,3.757590196,1.799563718,0.03705028,4.804117337,1.057145094,2.431709345,0.290270292,0.003331414,3.94E-24,9.00E-67,3.96E-131,3.36E-217,0,0,0,0,0,0,0,9.329441316,0.794506496,0.432671491,0.883752748,0.075261452,0.54764856,0.501604412,0.521721165,10.5566193,11.79264532,25.55635627,0.825629122,1.570974137,8.135557656,0.55185617,0.077051133,0.928243503,0.062965186,0.425995354,0.220916117,0.016545502,8.764464958,5.159032764,14.26943093,0.892365255,0.663456973,8.650884597,0.589865844,0.220577479,0.914341482,0.062344932,0.473266697,0.27854071,0.135595174,9.461327921,7.141162787,17.728067,0.871512224,0.887402581,9.236025509,0.80681198,0.410617078,0.883538112,0.077181373,0.537529832,0.520843027,0.469889685,10.45345457,11.57549662,25.08876126,0.825307168,1.528262544,8.911291226,0.617373679,0.293230964,0.907288302,0.062856875,0.500247587,0.30468879,0.239630201,9.821895868,8.295696244,19.7308306,0.860932453,1.044566578,9.399092746,0.827482745,0.456503139,0.879811248,0.07745733,0.555801053,0.543719322,0.58077703,10.68307863,12.44605088,26.67962242,0.819716873,1.680297404,9.314356196,0.819203739,0.413962653,0.883084736,0.077667882,0.546864877,0.537401623,0.477577895,10.54752259,11.82527077,25.53147553,0.824627103,1.561844395 +UMLKV0205,L,DIETHYL ETHER,CCOCC,C4H10O,Ether (has a C-O-C bond),Ethers,60-29-7,2.287458636,PubChem,,0.2867,0,0.5513,0.30393169,21.6001,14.50993,0,0,15,5,10,0,4,0,1,0,0,0,0,0,0,0,843.185125,793.9271,722.299459,445.911314,269.399257,84.835296,9.144576,0,0,2221.295828,2599.858971,2753.066548,2171.066986,1695.218043,1061.424631,279.7536999,0,0,110.69842,106.32512,190.416988,181.000136,105.590692,123.32736,60.466176,0,0,16.24493305,19.3919231,22.29899828,18.57594001,15.70279472,12.01662072,4.001516144,0,0,2541.80523,2091.500846,4184.784813,4196.196387,2397.690441,3137.747111,1664.258868,0,0,34.75,34.5,55.25,45,25,24,9,0,0,56.21234167,56.70907857,28.89197836,18.57963808,17.95995047,4.713072,1.016064,0,0,148.0863886,185.7042122,110.1226619,90.46112441,113.0145362,58.96803508,31.08374443,0,0,7.379894667,7.594651429,7.61667952,7.541672333,7.039379467,6.85152,6.718464,0,0,1.082995537,1.385137364,0.891959931,0.773997501,1.046852981,0.66759004,0.444612905,0,0,169.453682,149.3929176,167.3913925,174.8415161,159.8460294,174.3192839,184.917652,0,0,2.316666667,2.464285714,2.21,1.875,1.666666667,1.333333333,1,0,0,0.169062121,-0.033803134,-0.044275578,-0.034578453,0.011682181,0.01069259,0.005751333,0,0,476.9038497,-21.78432588,-121.9598638,-86.57448171,-166.2117309,18.82431712,139.2541604,0,0,665.1575892,-169.0438689,-190.4952259,154.2819615,-286.1313844,-32.46987161,191.2795949,0,0,1.034995733,0.036481849,-0.290333156,-0.502862507,0.004698667,0.12188992,0.11262736,0,0,2.896898448,-1.158801944,-0.918747703,1.404458489,-1.17556629,-0.28803955,0.688247774,0,0,16.06108614,-6.990238497,-5.240349928,8.659843477,-6.183583693,-1.760383858,3.484169428,0,0,6.733333333,-0.851111111,-0.555555556,-3.106666667,-0.283333333,0.22,1.21,0,0,0.011270808,-0.00241451,-0.001771023,-0.001440769,7.79E-04,5.94E-04,6.39E-04,0,0,31.79358998,-1.556023277,-4.878394553,-3.607270071,-11.08078206,1.045795396,15.47268448,0,0,44.34383928,-12.07456207,-7.619809038,6.428415061,-19.07542563,-1.803881756,21.25328832,0,0,0.068999716,0.002605846,-0.011613326,-0.020952604,3.13E-04,0.006771662,0.012514151,0,0,0.193126563,-0.082771567,-0.036749908,0.058519104,-0.078371086,-0.016002197,0.076471975,0,0,1.070739076,-0.49930275,-0.209613997,0.360826812,-0.412238913,-0.097799103,0.387129936,0,0,0.448888889,-0.060793651,-0.022222222,-0.129444444,-0.018888889,0.012222222,0.134444444,0,0,-0.214226837,-0.15713364,-0.127831907,0.069099933,0.052705427,0.056698422,0,0,-0.048941415,-0.153439563,-0.113459036,-0.348522519,0.032893278,0.486660503,0,0,-0.272294016,-0.171834671,0.14496749,-0.430170818,-0.040679422,0.479283902,0,0,0.037766045,-0.16830977,-0.303662186,0.004539793,0.098140437,0.181365257,0,0,-0.428587171,-0.190289246,0.303009087,-0.405801691,-0.082858603,0.395968186,0,0,-0.466315988,-0.195765712,0.336988553,-0.38500408,-0.091337942,0.361553944,0,0,-0.1354314,-0.04950495,-0.288366337,-0.042079208,0.027227723,0.29950495,0,0,1.19507339,1.715067307,1.756054072,0.111136202,0.087774951,0,0,0,1.302640332,1.257253085,1.120815693,1.184672149,0.592336075,0,0,0,1.744076533,1.117192315,0.614412826,1.579467202,0.789733601,0,0,0,0.911157379,1.730722033,1.933723592,0.106932486,0.053466243,0,0,0,1.997151618,1.125472688,0.416360228,1.621267278,0.810633639,0,0,0,2.04802765,1.146922292,0.397154807,1.588451677,0.794225838,0,0,0,1.150990099,1.455445545,1.689356436,0.381188119,0.346534653,0,0,0,14.02903191,7.139515956,11.44229159,14.17903191,2.835806382,7.141457869,0.25,4.44E-16,8.88E-17,-17.6752531,2000004.385,400000.877,7.254329966,14.03649244,7.142879008,11.44834582,14.18605178,2.837210357,7.144813748,0.249265579,2.22E-16,4.44E-17,-18.02182669,2000004.384,400000.8769,7.254329965,20.66552264,10.13326408,16.90257298,20.42612595,4.085225191,10.13334385,-0.398994478,3.33E-16,6.66E-17,-17.81909414,2000004.122,400000.8244,7.2543299,14.04432247,7.146408634,11.45470025,14.19341935,2.83868387,7.148335875,0.2484948,8.88E-16,1.78E-16,-17.32867951,2000004.384,400000.8768,7.254329965,27.70600649,13.31185611,22.75941062,27.05662993,5.411325986,13.31185917,-1.082294264,1.11E-16,2.22E-17,-18.36840028,2000004.056,400000.8113,7.254329883,14.81066828,7.491901232,12.07820325,14.91454879,2.982909758,7.493221273,0.173134186,1.11E-16,2.22E-17,-18.36840028,2000004.324,400000.8648,7.25432995,12.57323739,6.494952027,10.16161869,12.82323739,2.564647477,6.498881015,0.416666667,5.55E-16,1.11E-16,-17.56368133,2000004.472,400000.8944,7.254329987,0,11.89,15.99491564,-0.381188045,0.119459794,4.559545342,5.29994391,4,14,14,14,4,0,0,0,0,0,12.84807,3.329350336,2.902564078,2.095016805,1.598026915,0.716238902,0.083923071,0.083923071,0.083923071,1.717221983,1.563026335,0.923508946,0.769718516,0.083923071,0.083923071,0.083923071,0.083923071,3.256161194,2.950308951,2.050051242,1.695309721,0.498135234,0.270913902,0.270913902,0.270913902,1.697447075,1.473453684,0.850273688,0.630337185,0.270913902,0.270913902,0.270913902,0.270913902,3.483871313,3.155598408,2.433497707,2.090117344,1.135422874,0.943918427,0.943918427,0.943918427,1.427958164,1.195492746,0.406334094,0.162386152,0.943918427,0.943918427,0.943918427,0.943918427,3.253516771,2.985267979,2.071087792,1.765276817,0.439982288,0.399277246,0.399277246,0.399277246,1.685350472,1.415133181,0.800442367,0.536857124,0.399277246,0.399277246,0.399277246,0.399277246,3.530237377,3.252217518,2.546796745,2.26277616,1.208515409,1.207644823,1.207644823,1.207644823,1.373997719,1.104407163,0.286876091,0.004703131,1.207644823,1.207644823,1.207644823,1.207644823,3.543902836,3.061422362,2.463256053,1.838196629,1.21332483,0.571428571,0.571428571,0.571428571,1.506026633,1.325313653,0.571599943,0.431448195,0.571428571,0.571428571,0.571428571,0.571428571,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,3.822461853,1.991563832,0.781474414,0.40824829,0.204124145,0,0,0,0.764492371,0.497890958,0.260491471,0.204124145,0.204124145,0,0,0,7.423938123,14.76984705,13.97647059,14.2,8.473011976,116.5531018,0.494929208,0.98465647,0.931764706,0.946666667,0.564867465,7.770206786,1.0428,22.167,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.522222222,0,0,0,0,0,0,0,0,0,0,0,3.979166667,0,1.6875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,1.989583333,0,0.84375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.989583333,0,0.84375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.5,2.1,0.45,4.833333333,0.277777778,0.84375,2.532375,0.65625,1.333333333,2.666666667,0.65625,1.333333333,2.666666667,2.33333,0.46667,0,0.03333,0.48444,0.85333,0.41765,0.48444,0.85333,0.0668,0,-0.0668,0,0.54687,0.16742,0,0.42857,0,0,2.5,0.5,2.5,0.5,0,0,-2.5,-0.5,0,0,3.20423,0.64085,4.09272,0.88849,0.1777,1.86119,0.37224,2.41421,0.55302,0.1106,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4.01,1,1,1,1,0,0,1,1.158938532,1.425605199,2.072905595,2.072905595,1.812446222,1.42486081,17.38407799,21.38407799,31.09358393,31.09358393,27.18669333,21.37291214,0.296639618,0.364895091,0.530576822,0.530576822,0.463910155,0.364704558,2.747952063,2.481285397,1.833985,1.833985,2.094444373,2.482029786,0.304394667,0.374434543,0.544447691,0.544447691,0.476038158,0.374239029,10.66110191,13.86110191,14.51346745,14.51346745,10.34744202,5.696417063,18.1875248,15.2854749,16.59236895,16.59236895,14.50869397,9.857669016,5,4,4,5,0,2,1.79,0.7309,0.25,2.309401077,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.296,0.29,0.312,0.054,2.13,3,2,1,0,0,0,0,0,0,15,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,0,0,2.772588722,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.5,4,1,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,9.23,86.5306239,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,74.07316494,4.938210996,8.849873734,1.769974747,2.707106781,2.707106781,0,20,2,0.866,14,1.212857143,2.057611983,2.773293248,3.639429888,4.594067894,5.458298847,0,0,0,0,79.50058765,65.64067038,61.04850883,78.23780585,23.52604701,5.54598096,0,0,0,0,243.9931819,239.786508,274.4605619,458.9151798,285.0366544,169.6643664,0,0,0,0,9.308761902,15.7712002,20.99476728,25.77092178,31.54378913,36.67138431,0,0,0,0,1.760303352,1.904382137,2.275666251,4.133531239,3.179972688,2.426830106,0,0,0,0,180.0317327,341.8123574,482.4800001,570.2026208,795.4627115,1009.335807,0,0,0,0,3.135214286,4.730213755,5.351369635,6.429272377,6.294377983,5.458298847,0,0,0,0,0.409321071,0.476250472,0.551267395,0.883138117,0.704395221,0.558929802,0,0,0,0,374.2019078,173.7462631,13.45989954,104.5972575,-48.56571347,-11.41779909,269.6046502,222.3119766,24.87769863,0.781542523,0.362879211,0.028111786,0.218457477,-0.101432327,-0.02384674,179.1675611,83.18956575,6.444588666,50.08107961,-23.25322307,-5.466832674,0.120676625,0.820954594,2.664274897,17.09067385,457.9811152,20.81805006,0.956520287,0.043479713,319.5229361,17.8752045,6.836503064,416.3932969,20.40571726,7.467374113,445.6111791,21.10950447,7.638100337,1.867406768,1.867406768,233.2848864,218.8818069,27.80324265,1.065803,8.390563984,7.872528025,3.087839612,3.096569067,6.184431767,0.997188383,2.789005726,2.662636715,4.43985544,4.140717275,5.548591787,0.801028153,2.117896645,2.892728687,0.0287614,1.352786895,0.921963247,9.47E-05,2.59E-29,1.37E-75,1.40E-143,2.75E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234062164,2.91659231,0.425916737,0.699209861,0.203966708,0.776676187,0.087195846,0.18088438,5.62E-04,0.113391348,0.006493463,6.67E-07,1.83E-31,9.65E-78,9.84E-146,1.93E-235,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.755580509,2.444129632,0.85508459,1.235910562,0.596538006,0.781646908,0.341140904,0.610966829,0.002446114,0.366132474,0.067666886,6.95E-06,1.90E-30,1.01E-76,1.02E-144,2.01E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.632593971,2.915729848,5.174489182,4.034806961,5.518358655,0.79953745,1.936776278,2.683034477,0.025665344,1.276824987,0.821452654,8.43E-05,2.31E-29,1.22E-75,1.24E-143,2.45E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.11358654,2.264597057,0.981985162,1.655426178,0.935457002,0.785059133,0.563141079,0.942863605,0.004889318,0.539704355,0.146981519,1.51E-05,4.13E-30,2.18E-76,2.23E-144,4.38E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368128327,2.823011793,6.3054154,5.025669147,8.095409865,0.80654804,2.852998609,3.718723966,0.041779879,1.634138433,1.344596748,1.38E-04,3.78E-29,2.00E-75,2.04E-143,4.00E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.639252561,3.170555623,4.223301128,2.56820564,3.096831745,0.77166105,0.995789957,1.598378676,0.009745909,0.882863644,0.301049224,3.09E-05,8.47E-30,4.47E-76,4.56E-144,8.96E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.098926726,0.695675824,0.44320402,0.782565502,0.132818159,0.616310559,0.449080719,0.533312759,5.23780657,4.976511354,11.47812493,0.673848252,1.598704036,2.864703474,0.291435078,0.090407091,0.882385092,0.089767744,0.301036148,0.078812342,0.022191138,3.246545643,1.120212384,4.442236654,0.823577637,0.402039628,3.585748919,0.468329876,0.242600615,0.834539554,0.108998096,0.471649144,0.203523383,0.159793234,4.296679409,2.662835355,7.366917215,0.751809331,0.834965762,3.981231869,0.673953167,0.424867407,0.78369897,0.132666577,0.581425724,0.421473258,0.490096301,5.080052444,4.661000224,10.88104153,0.675548455,1.492995282,3.866213255,0.549756359,0.313279293,0.817511053,0.116246019,0.548315988,0.280447201,0.26646365,4.729248907,3.508907162,8.904023476,0.72626658,1.095226839,4.131306805,0.719467584,0.464455199,0.777258393,0.135359644,0.626086292,0.480322631,0.585682501,5.315229587,5.225308707,11.92105768,0.665887589,1.692091424,4.049256351,0.681768756,0.431269518,0.784390789,0.132066998,0.601464283,0.431305281,0.504977605,5.162294625,4.80100338,11.15388499,0.676586183,1.537747169 +UMLKV0206,L,METHYL-TERT-BUTYL ETHER,CC(C)(C)OC,C5H12O,Ether (has a C-O-C bond),Ethers,1634-04-4,2.439385285,PubChem,,0.4065,0,0.9818,0.96393124,26.8163,17.603516,0,0,18,6,12,0,5,0,1,0,0,0,0,0,0,0,989.481374,962.405397,1323.085987,832.184139,245.361312,27.433728,0,0,0,2706.980219,3252.849106,4253.931486,4418.142325,2904.520194,839.2610996,0,0,0,131.675864,128.1009,233.357476,257.332332,309.515904,181.398528,0,0,0,19.92305886,24.40791172,32.13517761,36.56404238,32.04834601,12.00454843,0,0,0,3038.434891,2524.540298,5119.874993,5262.615061,7748.982463,4992.776605,0,0,0,41.8125,42.875,69.25,83.25,63,27,0,0,0,54.97118744,56.61208218,42.68019313,25.21770118,5.4524736,1.016064,0,0,0,150.3877899,191.344065,137.2235963,133.8831007,64.54489321,31.08374443,0,0,0,7.315325778,7.535347059,7.527660516,7.797949455,6.8781312,6.718464,0,0,0,1.106836603,1.435759513,1.036618632,1.108001284,0.712185467,0.444612905,0,0,0,168.8019384,148.5023705,165.1572579,159.4731837,172.1996103,184.917652,0,0,0,2.322916667,2.522058824,2.233870968,2.522727273,1.4,1,0,0,0,0.166339728,-0.045813285,0.015946129,-0.099354949,0.009294084,0.036758158,0,0,0,557.7912351,-22.23608849,242.3272651,-817.7863397,-89.60379078,408.4033363,0,0,0,815.6252945,-167.3096657,330.0683822,-881.7074284,-279.0524846,590.1885493,0,0,0,1.059967111,0.044690617,-0.055375358,-0.98299837,0.184014222,0.279685333,0,0,0,3.576219349,-1.136506899,0.997370562,-2.377943336,-1.482304513,2.211274512,0,0,0,19.7674611,-6.839252288,4.518491792,-10.54419768,-8.370002535,11.35123016,0,0,0,7.78125,-1.984375,4.796875,-10.078125,-0.421875,3.796875,0,0,0,0.009241096,-0.002694899,5.14E-04,-0.003010756,2.07E-04,0.001361413,0,0,0,30.98840195,-1.308005206,7.817008551,-24.78140423,-1.991195351,15.12604949,0,0,0,45.31251636,-9.841745043,10.64736717,-26.71840692,-6.201166324,21.85883516,0,0,0,0.058887062,0.00262886,-0.001786302,-0.029787829,0.004089205,0.010358716,0,0,0,0.198678853,-0.066853347,0.032173244,-0.072058889,-0.0329401,0.081899056,0,0,0,1.098192283,-0.402308958,0.1457578,-0.319521142,-0.186000056,0.420415932,0,0,0,0.432291667,-0.116727941,0.154737903,-0.305397727,-0.009375,0.140625,0,0,0,-0.29162116,0.055663446,-0.325800754,0.022349644,0.147321621,0,0,0,-0.042209508,0.252255943,-0.799699329,-0.064256148,0.488119701,0,0,0,-0.217197054,0.234976294,-0.589647388,-0.136853276,0.482401705,0,0,0,0.044642401,-0.030334369,-0.50584676,0.069441484,0.175908183,0,0,0,-0.336489496,0.161935926,-0.362690281,-0.165795704,0.412218285,0,0,0,-0.366337448,0.132725208,-0.29095191,-0.169369298,0.382825429,0,0,0,-0.270021262,0.357947921,-0.706462212,-0.021686747,0.325301205,0,0,0,1.285956723,1.514829098,2.408549937,0.082252547,0.036871154,0,0,0,1.330784981,0.890477821,2.107996975,0.737954282,0,0,0,0,1.698345018,0.800042958,1.730182446,0.938461829,0,0,0,0,0.912066035,1.570289988,2.587655245,0.076072549,0,0,0,0,1.899203893,0.8719781,1.534083466,0.956832407,0,0,0,0,1.940586148,0.913822941,1.495989736,0.940308067,0,0,0,0,1.34939759,0.938204431,2.46403797,0.436947791,0,0,0,0,16.91172514,8.580862569,11.78762054,17.07839181,2.846398634,8.581330063,0.25,0.003838733,6.40E-04,-3.33756775,21.65665531,3.609442551,1.845187687,16.91875835,8.584011967,11.79342522,17.08493541,2.847489235,8.584477829,0.249265579,0.004216947,7.03E-04,-3.28118632,21.63421818,3.605703031,1.844565742,23.318411,11.45970826,17.16457585,23.05241468,3.842069114,11.45972987,-0.398994478,0.211750665,0.035291778,-0.931407482,15.90181141,2.650301901,1.659859817,16.9261405,8.587317649,11.79951835,17.0918037,2.84863395,8.587781805,0.2484948,0.00461333,7.69E-04,-3.227283191,21.61080365,3.601800609,1.843916015,30.28757379,14.60263976,23.07114327,29.56604428,4.927674047,14.60264063,-1.082294264,0.309788017,0.051631336,-0.703120219,14.94672586,2.491120976,1.622695362,17.65141588,8.91227503,12.40029231,17.76683867,2.961139778,8.912599334,0.173134186,0.040798626,0.006799771,-1.919464125,19.83107955,3.305179925,1.792350229,20.18188467,10.23665662,13.50250503,20.37617038,3.396028397,10.23674154,0.291428571,0.211748554,0.035291426,-0.931413466,38.33926559,6.389877599,2.187884749,0,11.99640057,15.99794223,-0.405624791,0.064406266,4.644246824,7.483752677,5,17,17,17,5,0,0,0,0,0,15.034484,3.498160768,2.726205246,2.333552793,2.333552793,1.362071814,0.123808562,0.083923071,0.083923071,1.823421164,1.386950112,1.249629723,1.249629723,0.083923071,0.083923071,0.083923071,0.083923071,3.457951457,2.695039281,2.405454588,2.405454588,1.207699235,0.270913902,0.270913902,0.270913902,1.796252663,1.323538065,1.134540686,1.134540686,0.015727663,0.270913902,0.270913902,0.270913902,3.619384144,2.987967816,2.704236987,2.704236987,1.67841505,0.943918427,0.943918427,0.943918427,1.588945246,0.970089952,0.76031856,0.76031856,0.491767824,0.943918427,0.943918427,0.943918427,3.460409266,2.711792533,2.457539916,2.457539916,1.187523867,0.399277246,0.399277246,0.399277246,1.780894749,1.280247214,1.058262671,1.058262671,0.019789691,0.399277246,0.399277246,0.399277246,3.659486668,3.078535715,2.838982085,2.838982085,1.741525609,1.207644823,1.207644823,1.207644823,1.545122573,0.876648441,0.631337262,0.631337262,0.566898741,1.207644823,1.207644823,1.207644823,3.592902624,2.972159793,2.56382137,2.56382137,1.731902462,0.540540541,0.540540541,0.540540541,1.7142944,1.085492235,0.942199748,0.942199748,0.313632567,0.540540541,0.540540541,0.540540541,0,0,0,0,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.112372436,0.204124145,0,0,1.060660172,0.353553391,0,0.612372436,0.204124145,0,5.207106781,2.560660172,2.914213562,1.060660172,0,0,0,0,0.86785113,0.512132034,0.416316223,0.353553391,0,0,0,0,4.90824829,2.112372436,2.316496581,0.612372436,0,0,0,0,0.818041382,0.422474487,0.330928083,0.204124145,0,0,0,0,8.965765927,17.6576839,16.70196078,16.96,10.27156647,139.5813569,0.498098107,0.980982439,0.92788671,0.942222222,0.570642582,7.754519827,1.4313,26.762,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,24,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.9375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.933333333,0,0,0,0,0,0,0,0,0,0,0,7.770833333,0,0,0,0,0,0,0,0,0,0,0,0.041666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.9375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.9375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,1.708333333,0,0,0,0,0,0,0,0,0,0,0,0.041666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.9375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.9375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,2.020833333,0,0,0,0,0,0,0,0,0,0,0,0.041666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.9375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.75,2.125,0.45,4.9375,0.166666667,0.041666667,3.367208333,1.208333333,1.4375,3,1.208333333,1.4375,3,2.83333,0.47222,0,0.02778,0.47593,0.82778,0.42,0.47593,0.82778,0.05593,0,-0.05593,0,0.57047,0.14382,0,0.70588,0,0.17647,3,0.5,3,0.5,0,0,-3,-0.5,0,0,5.23738,0.8729,6.37132,1.13394,0.18899,2.02133,0.33689,2.56066,0.53933,0.08989,0.35334,0.05889,0.35334,0.05889,0,5.01,1,1,1,1,0,0,1,1.134969975,1.515789584,2.056641667,2.056641667,1.593316667,0.930827083,20.42945954,27.28421252,37.01955001,37.01955001,28.67970001,16.7548875,0.272179949,0.363505239,0.493208311,0.493208311,0.3820972,0.223223939,3.034955027,2.654135417,2.113283334,2.113283334,2.576608334,3.239097918,0.27767102,0.370838744,0.503158499,0.503158499,0.389805786,0.227727351,10.25843817,14.82827348,15.37335775,15.37335775,8.887985838,0.938110835,21.93297423,17.06783751,18.18061875,18.18061875,14.93734375,5.79248125,6,1.632653061,5.333333333,6,0,3,1.9,0.8718,2.449489743,0,0,3.363585661,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.347,0.337,0.233,0.033,2.217,7,3,0,0,0,0,0,0,0,21,1.791759469,2.079441542,1.386294361,0,0,0,0,0,0,0,3.091042453,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,5,1,0,2,3,0.5,3,0.666666667,0,0,0,0,0,0,0,0,0.6,0.095238095,0,0,0,0,0,0,0,0,0.695238095,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,9.23,103.8266085,3.584962501,3.218875825,3.80666249,4.634728988,5.252273428,6.084499413,6.708084084,7.5416831,8.166500319,9.000483165,65.41379081,2.397895273,0,3.663561646,0,5.081404365,0,6.532334292,0,7.989899375,8.256088134,88.088815,4.893823056,10.46599026,1.74433171,2.590990258,2.590990258,0,28,3,1.32,24,1.219352941,2.075308676,2.914610362,3.362484633,3.702538656,0,0,0,0,0,79.98075655,101.0710448,74.48416497,18.38296958,3.762016237,0,0,0,0,0,253.901441,312.7127196,393.1641894,217.4016252,115.0887653,0,0,0,0,0,9.273571843,15.75982675,22.6951688,23.12937797,24.87537267,0,0,0,0,0,1.845323016,2.300946041,3.251547329,2.397674706,1.646196467,0,0,0,0,0,179.6707561,338.4194143,464.1011371,578.8777552,684.6647548,0,0,0,0,0,3.181308824,4.942757966,7.358442819,4.711906471,3.702538656,0,0,0,0,0,0.418907206,0.550284475,0.760071087,0.529998871,0.379139958,0,0,0,0,0,335.297177,163.4059149,10.92886714,96.88890183,-47.21846985,-12.19863468,238.4082752,210.6243847,23.12750181,0.775816699,0.378091574,0.025287411,0.224183301,-0.109254953,-0.028225423,144.9107722,70.6217616,4.723304234,41.87403456,-20.40716533,-5.272080089,0.123332179,0.7761616,1.691082984,19.69484324,406.8114104,25.37466841,0.941287631,0.058712369,381.6045052,19.53470003,7.253336587,497.8489382,22.31252873,7.925606906,631.566611,25.13098906,8.579718799,1.261681085,1.168525012,173.1489123,172.0927559,110.1192303,1.006137135,1.572376704,1.562785677,3.255870344,2.999255685,5.048106048,0.683119607,3.346806833,3.6111756,5.451623573,7.980395577,6.353430482,3.901685729,5.489007673,0.066883231,1.670198494,1.83E-09,4.95E-40,2.92E-92,3.50E-166,8.19E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.280874545,3.865067665,0.364119429,4.382332801,0.549306956,0.422034371,0.04011109,7.72E-04,0.011763345,1.29E-11,3.49E-42,2.06E-94,2.46E-168,5.77E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.906696583,3.39260931,0.876798177,4.626454181,1.50303361,0.671007043,0.406591299,0.005682192,0.12258312,1.34E-10,3.63E-41,2.15E-93,2.57E-167,6.01E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.159112715,3.864261786,5.783438791,8.122682936,6.515490338,3.525474309,4.891606448,0.059799015,1.488116788,1.63E-09,4.41E-40,2.61E-92,3.11E-166,7.29E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336303829,3.21308227,1.174599092,4.925687374,2.074432186,0.978887394,0.879598792,0.011601775,0.266266917,2.91E-10,7.89E-41,4.66E-93,5.57E-167,1.31E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041753946,3.771579873,7.718212195,9.15076426,8.218688485,5.47992921,8.000467492,0.09656111,2.435827535,2.67E-09,7.22E-40,4.27E-92,5.10E-166,1.19E-261,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.95576753,3.350621315,3.416354382,7.694848986,3.909176379,1.517663416,1.609317057,0.020686193,0.488005404,5.34E-10,1.45E-40,8.55E-93,1.02E-166,2.39E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.102189908,1.197182315,0.92161796,0.498032409,0.283625942,0.495910617,0.476105362,0.416849784,4.220990183,5.557465279,12.09789561,0.247048613,1.388865764,1.340674955,0.662641471,0.630635508,0.508997502,0.251576903,0.201827942,0.181115664,0.13227193,2.633951934,2.151749296,5.345949506,0.263496253,0.515215536,1.700781646,0.901567248,0.733575178,0.509838237,0.270260122,0.323123005,0.270067145,0.257509858,3.335924072,3.442387581,7.903153111,0.264757355,0.850700007,2.051939821,1.161733692,0.924244055,0.495887071,0.280753223,0.471419185,0.448355119,0.414775324,4.137917569,5.354026265,11.69516386,0.243830606,1.334549628,1.861067135,1.017762269,0.772970399,0.50963011,0.278701551,0.388554849,0.344101318,0.292861731,3.651799803,4.119373822,9.235275339,0.264445165,1.025517898,2.141046955,1.226235742,0.947841321,0.496172751,0.284171611,0.514358486,0.499493896,0.440709245,4.315124018,5.817077982,12.62069143,0.244259127,1.454561626,2.076068537,1.177786185,0.918995695,0.497518082,0.282249797,0.483169825,0.460814072,0.412618508,4.172850418,5.435443326,11.85538971,0.246277123,1.356602405 +UMLKV0207,L,TETRAHYDROFURAN,C1CCOC1,C4H8O,Ether (has a C-O-C bond),Cyclic Ethers,109-99-9,2.369074834,PubChem,,0.4752,0,-0.7069,0.49970761,16.8667,13.176344,0,0,13,5,8,0,4,0,1,0,0,0,0,0,0,0,841.152997,913.977045,1030.977621,221.985792,12.192768,0,0,0,0,2159.128339,2793.90264,3705.238606,2077.898852,373.0049332,0,0,0,0,97.261492,99.630372,192.859428,203.917824,80.621568,0,0,0,0,15.35570724,19.95373448,28.32543528,20.83695852,5.335354858,0,0,0,0,2171.969926,1912.050107,4004.948013,4797.219504,2219.011824,0,0,0,0,29.25,29.25,53.25,44,12,0,0,0,0,64.70407669,70.30592654,41.23910484,7.928064,1.016064,0,0,0,0,166.0867953,214.9155877,148.2095442,74.21067329,31.08374443,0,0,0,0,7.481653231,7.663874769,7.71437712,7.282779429,6.718464,0,0,0,0,1.181208249,1.534902652,1.133017411,0.74417709,0.444612905,0,0,0,0,167.0746097,147.0807774,160.1979205,171.329268,184.917652,0,0,0,0,2.25,2.25,2.13,1.571428571,1,0,0,0,0,0.166861775,-0.030290087,-0.061106998,-0.017764016,0.025730214,0,0,0,0,441.1976548,25.77965908,-198.9386779,-294.6365429,247.1967344,0,0,0,0,616.1115392,-56.84338354,-230.9159335,-359.8460292,339.5495767,0,0,0,0,1.006116923,0.022630154,-0.405269775,-0.320349065,0.199930225,0,0,0,0,2.72042466,-0.59382257,-0.825059763,-1.163071608,1.221741611,0,0,0,0,15.16770937,-3.820079871,-4.293260755,-5.6554302,6.184916144,0,0,0,0,5.692307692,0.307692308,-2.408284024,-2.183431953,1.437869822,0,0,0,0,0.012835521,-0.002330007,-0.00244428,-6.34E-04,0.002144184,0,0,0,0,33.93828114,1.983050698,-7.957547118,-10.52273367,20.59972786,0,0,0,0,47.39319532,-4.372567964,-9.236637339,-12.8516439,28.29579805,0,0,0,0,0.077393609,0.001740781,-0.016210791,-0.011441038,0.016660852,0,0,0,0,0.209263435,-0.045678659,-0.033002391,-0.041538272,0.101811801,0,0,0,0,1.166746874,-0.293852298,-0.17173043,-0.20197965,0.515409679,0,0,0,0,0.437869822,0.023668639,-0.096331361,-0.077979713,0.119822485,0,0,0,0,-0.181528017,-0.190430906,-0.04942761,0.16705083,0,0,0,0,0.058431088,-0.23447113,-0.310054998,0.606976169,0,0,0,0,-0.092261514,-0.194893745,-0.271170657,0.597043476,0,0,0,0,0.022492569,-0.209459038,-0.147829234,0.215274261,0,0,0,0,-0.218283042,-0.157707392,-0.198497514,0.486524561,0,0,0,0,-0.251856083,-0.147187393,-0.173113513,0.441749355,0,0,0,0,0.054054054,-0.22,-0.178088803,0.273648649,0,0,0,0,1.079202865,1.533771392,0.907522794,0.017953309,0,0,0,0,1.046455482,1.296573014,1.142205478,0,0,0,0,0,1.400782816,1.2092156,1.05569405,0,0,0,0,0,0.843451136,1.537371059,1.021459241,0,0,0,0,0,1.621620514,1.204846877,0.957062907,0,0,0,0,0,1.669131046,1.213986238,0.926844302,0,0,0,0,0,0.810810811,1.517837838,1.054054054,0,0,0,0,0,10.66538388,5.457691938,7.897885203,10.81538388,2.163076775,5.469380842,0.25,0.068325039,0.013665008,-1.341739488,11.99443274,2.398886548,1.242221302,10.66925687,5.459261223,7.899720492,10.81881621,2.163763243,5.470927706,0.249265579,0.068101504,0.013620301,-1.343377989,11.99776791,2.399553583,1.242360313,14.18871007,6.894857797,10.13854223,13.94931339,2.789862677,6.897280554,-0.398994478,1.11E-16,2.22E-17,-18.36840028,2000008.112,400001.6225,7.254330897,10.67332191,5.460908357,7.901648432,10.82241879,2.164483759,5.472551358,0.2484948,0.067867019,0.013573404,-1.345102542,12.00128137,2.400256273,1.242506712,18.35299542,8.491770774,13.04482709,18.13653657,3.627307313,8.492317957,-1.082294264,0.131666808,0.026333362,-1.013740366,26.88790134,5.377580269,1.645838211,11.0723239,5.622729045,8.099057465,11.17620442,2.235240883,5.632308805,0.173134186,0.045564955,0.009112991,-1.544308193,12.41358514,2.482717029,1.259395725,9.348668008,4.786433652,7.243934167,9.344295875,1.868859175,4.814501047,0.571428571,0.173198573,0.034639715,-0.87665826,11.43910381,2.287820761,1.218518822,0,11.99693555,15.99741702,-0.402844557,0.06949013,4.99268493,5.798514342,5,13,13,13,5,0,0,0,0,0,10.661656,3.534649867,2.459820995,2.301199922,1.19006016,0.713992824,0.083923071,0.083923071,0.083923071,1.724171079,1.465521747,0.757863935,0.584445752,0.083923071,0.083923071,0.083923071,0.083923071,3.491022994,2.510897621,2.197473417,1.30885592,0.497844042,0.270913902,0.270913902,0.270913902,1.655976007,1.480535746,0.62194973,0.449177799,0.270913902,0.270913902,0.270913902,0.270913902,3.66565947,2.734801489,2.534642776,1.778468089,1.135201186,0.943918427,0.943918427,0.943918427,1.452583651,1.182450458,0.172849073,0.065446663,0.943918427,0.943918427,0.943918427,0.943918427,3.492553132,2.548571849,2.194211739,1.39352899,0.439979725,0.399277246,0.399277246,0.399277246,1.612285733,1.48786325,0.531260614,0.360087334,0.399277246,0.399277246,0.399277246,0.399277246,3.706001995,2.841861735,2.613106294,1.978039144,1.208515408,1.207644823,1.207644823,1.207644823,1.38842831,1.140126443,0.016182923,0.237178465,1.207644823,1.207644823,1.207644823,1.207644823,3.820976301,2.732553622,2.634421018,1.577575475,1.384478255,0.666666667,0.666666667,0.666666667,1.528942797,1.156098215,0.349720363,0.115243296,0.666666667,0.666666667,0.666666667,0.666666667,0,0,0,0,0,2,2,0,0,0,0,0.176776695,0,0,0,0,0.102062073,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.535533906,2.5,1.767766953,1.25,0.883883476,0,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0,0,0,3.236675415,2.077350269,1.319479217,0.827350269,0.510310363,0,0,0,0.647335083,0.415470054,0.263895843,0.165470054,0.102062073,0,0,0,6.88211032,12.8820102,12.25098039,12.44,7.674457485,100.2675413,0.529393102,0.990923861,0.942383107,0.956923077,0.590342883,7.712887794,0.7968,20.053,14,18.61803399,28,5.6,14.000001,1.11E-16,2.22E-17,-18.36840028,19.22543377,3.845086753,1.478117039,20,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.522222222,0,0,0,0,0,0,0,0,0,0,0,0,0,4.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,1.277777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.5,1.9,0.45,4.944444444,0.277777778,1,2.195777778,0.5,1.444444444,2.888888889,0.5,1.444444444,2.888888889,2.33333,0.46667,0,0.03333,0.51282,0.85333,0.43333,0.51282,0.85333,0.07949,0,-0.07949,0,0.54687,0.16742,0,0,0,0,3,0.6,3,0.6,0,0,-3,-0.6,0,0,2.97125,0.59425,3.75,0.77875,0.15575,1.99071,0.39814,2.5,0.50929,0.10186,-0.086,-0.0172,0,0,0.384615385,5.01,1,1,1,1,0,0,1,1.238901257,1.546593564,2.16197818,2.16197818,2.16197818,2.16197818,16.10571634,20.10571634,28.10571634,28.10571634,28.10571634,28.10571634,0.334798389,0.41794859,0.584248993,0.584248993,0.584248993,0.584248993,2.461538462,2.153846154,1.538461538,1.538461538,1.538461538,1.538461538,0.334798389,0.41794859,0.584248993,0.584248993,0.584248993,0.584248993,11.26589917,14.95820687,15.57840689,15.57840689,15.57840689,15.57840689,18.28260559,15.69636663,16.43374578,16.43374578,16.43374578,16.43374578,3.2,1.44,0.64,0,0,0,1.79,0.6223,0,0,0,0,4.242640687,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.402,0.394,0.462,0.261,2.485,5,5,5,0,0,0,0,0,0,25,1.791759469,1.791759469,1.791759469,1.791759469,0,0,0,0,0,0,3.258096538,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,8.618033989,12,2.4,6.006204681,0,0,0,13.96759521,2.793519041,1.318370009,9.23,74.1741652,3.321928095,3.044522438,3.713572067,4.394449155,5.081404365,5.771441123,6.463029457,7.155396302,7.848153086,8.541105011,62.013073,2.397895273,0,3.433987204,2.397895273,4.615120517,4.262679877,5.860786223,5.888877958,7.147559271,7.6989362,72.05751488,5.54288576,9.6875,1.9375,2.875,2.875,0,15,0,0.526,20,1.32381402,2.215652368,2.898541822,3.911780143,0,0,0,0,0,0,115.8765269,104.3870609,25.86248133,3.974618979,0,0,0,0,0,0,310.2952519,351.3645104,232.8712978,121.5927742,0,0,0,0,0,0,10.49500968,17.4466941,21.35241214,26.28115407,0,0,0,0,0,0,2.077999953,2.586990757,2.279127772,1.739227933,0,0,0,0,0,0,194.4288821,354.6300057,491.0884207,723.3571993,0,0,0,0,0,0,3.430344672,5.088834073,4.799443134,3.911780143,0,0,0,0,0,0,0.497207669,0.627244541,0.540544713,0.400566287,0,0,0,0,0,0,199.1911769,86.73150727,8.874803944,46.87302054,-20.40937649,-16.57440372,152.3181563,107.1408838,25.44920766,0.809508978,0.352475119,0.036067027,0.190491022,-0.0829433,-0.067358047,49.01381706,21.34151872,2.18377151,11.53377218,-5.022016845,-4.078367348,0.129341162,0.874144515,3.284762567,37.83985785,202.7763231,43.28787427,0.824078941,0.175921059,317.3301829,17.81376386,6.820828459,394.8264715,19.87024085,7.336159318,439.0181948,20.95276103,7.600243498,1.452529858,1.426837716,156.8175878,94.22550879,78.70754181,1.664279555,1.992408659,1.197159848,3.028378772,3.135879074,4.651062929,0.483176749,2.231237239,0.812322797,12.61835777,2.899387394,5.638520027,1.891615829,1.674003163,1.062431324,7.07E-06,5.49E-32,9.65E-80,3.44E-149,2.39E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.187282339,0.81215352,2.037431497,2.153566959,1.310254884,0.143719534,0.063959634,0.007482791,4.98E-08,3.86E-34,6.79E-82,2.42E-151,1.68E-242,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.604497109,0.812165166,3.287970162,1.756808447,1.937848912,0.410953975,0.256895821,0.077976448,5.19E-07,4.03E-33,7.08E-81,2.52E-150,1.75E-241,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.106107785,0.81230433,12.13202819,3.039692624,5.552191747,1.898951279,1.52742858,0.946607182,6.30E-06,4.89E-32,8.60E-80,3.06E-149,2.13E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.89090197,0.812179963,4.441292524,1.666644282,2.37640751,0.583968872,0.429634952,0.169375265,1.13E-06,8.75E-33,1.54E-80,5.48E-150,3.81E-241,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.694535288,0.812400372,15.94525144,3.516136819,7.126875068,2.478667973,2.271214005,1.549456236,1.03E-05,8.00E-32,1.41E-79,5.01E-149,3.49E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.48750243,0.812228564,9.382653002,3.347523004,4.493779252,1.559173215,0.894798048,0.472191699,3.14E-06,2.44E-32,4.29E-80,1.53E-149,1.06E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.061267326,0.856730237,0.523837969,0.598886062,0.248916669,0.559535764,0.427460602,0.546683867,3.441835531,3.29450796,7.661415175,0.398329092,1.533680233,1.216742779,1.163562009,0.112371329,0.488127106,0.466792297,0.377133514,0.414505088,0.020576688,2.492676117,1.683233685,4.335000149,0.432379104,0.812215289,1.623051803,0.826078765,0.279427559,0.594838639,0.302752856,0.347152956,0.378481954,0.140138596,2.728558128,2.025123206,5.12832904,0.392257958,0.865773506,1.986954389,0.940102354,0.504087468,0.579093814,0.273990918,0.520023173,0.497365881,0.474622301,3.431144211,3.343433121,7.716182728,0.368640722,1.492011355,1.813764293,0.717696997,0.358110934,0.627693012,0.248374826,0.433264246,0.297789883,0.252550482,2.889572224,2.208277154,5.564014265,0.441539518,0.983604611,2.101306637,0.887612243,0.55279418,0.593302337,0.250616644,0.58148388,0.457981328,0.607129002,3.54171306,3.517402458,8.090157094,0.389953506,1.64659421,2.018505443,0.89947747,0.511691315,0.58854145,0.262263239,0.536613413,0.461119813,0.502649725,3.429674228,3.308706684,7.667407752,0.382812175,1.500382951 +UMLKV0208,L,ACETONE,CC(=O)C,C3H60,Ketone,Ketones,67-64-1,2.045374132,PubChem,,0.3546,0,-0.244,0.059536,16.1948,10.082758,0,0,10,4,6,0,3,0,1,0,0,0,0,0,0,0,694.856748,553.334759,607.331011,169.40448,9.144576,0,0,0,0,1673.443949,1838.183004,1903.898071,1180.501482,279.7536999,0,0,0,0,76.284048,67.820708,110.62486,99.5328,60.466176,0,0,0,0,11.67758143,13.59840586,14.81652329,9.889873776,4.001516144,0,0,0,0,1675.340266,1325.667327,2461.722211,2029.840946,1664.258868,0,0,0,0,65.77777778,30.33333333,48,54,9,0,0,0,0,69.4856748,61.48163989,40.48873407,14.11704,1.016064,0,0,0,0,167.3443949,204.242556,126.926538,98.3751235,31.08374443,0,0,0,0,7.6284048,7.535634222,7.374990667,8.2944,6.718464,0,0,0,0,1.167758143,1.510933984,0.987768219,0.824156148,0.444612905,0,0,0,0,167.5340266,147.2963697,164.1148141,169.1534122,184.917652,0,0,0,0,6.577777778,3.37037037,3.2,4.5,1,0,0,0,0,0.111677226,-0.040577871,0.032844803,-0.056697272,0.008591727,0,0,0,0,357.528108,-38.477209,124.500355,-472.1472,207.36,0,0,0,0,465.6323026,-91.95808526,27.67671762,-432.4122617,263.877478,0,0,0,0,0.9667344,-2.56E-06,0.1408048,-0.83320128,0.20903184,0,0,0,0,2.048559472,-0.474341024,-0.47875704,-0.961276556,0.890094883,0,0,0,0,11.50836902,-2.685209217,-3.61310963,-3.859343795,4.403478133,0,0,0,0,30.93333333,-1.773333333,6.933333333,-27.38666667,6.76,0,0,0,0,0.011167723,-0.004508652,0.002189654,-0.004724773,9.55E-04,0,0,0,0,35.7528108,-4.275245444,8.300023667,-39.3456,23.04,0,0,0,0,46.56323026,-10.21756503,1.845114508,-36.03435514,29.31971978,0,0,0,0,0.09667344,-2.84E-07,0.009386987,-0.06943344,0.02322576,0,0,0,0,0.204855947,-0.052704558,-0.031917136,-0.08010638,0.098899431,0,0,0,0,1.150836902,-0.29835658,-0.240873975,-0.321611983,0.489275348,0,0,0,0,3.093333333,-0.197037037,0.462222222,-2.282222222,0.751111111,0,0,0,0,-0.403721735,0.196069837,-0.423073964,0.085481738,0,0,0,0,-0.119577883,0.232150242,-1.100489699,0.644424857,0,0,0,0,-0.219434197,0.039625999,-0.773880054,0.629675382,0,0,0,0,-2.94E-06,0.097099955,-0.71822664,0.240249649,0,0,0,0,-0.257276193,-0.155802829,-0.391037608,0.482775496,0,0,0,0,-0.259251836,-0.209303312,-0.27945922,0.425147427,0,0,0,0,-0.063697318,0.149425287,-0.737787356,0.242816092,0,0,0,0,1.007638134,0.610889734,2.230659232,0,0,0,0,0,1.038100476,0.636205371,2.176167929,0,0,0,0,0,1.487453885,0.914667102,1.491075708,0,0,0,0,0,0.50001324,0.555858155,2.680167376,0,0,0,0,0,1.657742868,1.104980423,1.12546732,0,0,0,0,0,1.666633262,1.144891501,1.068910678,0,0,0,0,0,0.560344828,0.510775862,2.691271552,0,0,0,0,0,7.301633913,3.775816957,5.775816957,7.426633913,1.856658478,3.824645855,0.25,3.33E-16,8.33E-17,-14.25527531,3000000,750000,5.965649139,7.303078629,3.776172104,5.776172104,7.427711419,1.856927855,3.824970986,0.249265579,2.22E-16,5.55E-17,-14.41746136,3000000,750000,5.965649139,8.579682257,4.09034389,6.09034389,8.380185018,2.095046255,4.1206693,-0.398994478,4.44E-16,1.11E-16,-14.14020248,3000000,750000,5.965649139,7.304594871,3.776544836,5.776544836,7.428842271,1.857210568,3.825312245,0.2484948,5.55E-16,1.39E-16,-14.05094506,3000000,750000,5.965649139,9.927899924,4.42280283,7.247830828,9.386752792,2.346688198,4.443012851,-1.082294264,0.092160796,0.023040199,-0.953688176,16.81619711,4.204049276,1.128937014,7.452860844,3.812997515,5.812997515,7.539427937,1.884856984,3.858832358,0.173134186,4.44E-16,1.11E-16,-14.14020248,3000000,750000,5.965649139,7.249413137,3.81544775,5.900632935,7.276927246,1.819231812,3.871289415,0.707936508,4.44E-16,1.11E-16,-14.14020248,3000000,750000,5.965649139,0,11.89,15.99491539,-0.29979485,0.18866563,3.486497794,5.155392082,3,9,8,8,2,1,1,0,0,1,7.517242,3.417437809,2.333552793,1.931771938,0.083923071,0.083923071,0.083923071,0.083923071,0.229179524,1.704078179,1.249629723,0.229179524,0.083923071,0.083923071,0.083923071,0.083923071,1.931771938,3.340463536,2.405454588,1.733401433,0.270913902,0.270913902,0.270913902,0.270913902,0.401249781,1.686902182,1.134540686,0.401249781,0.270913902,0.270913902,0.270913902,0.270913902,1.733401433,3.52091983,2.704236987,2.169411917,0.943918427,0.943918427,0.943918427,0.943918427,0.047747506,1.463498043,0.76031856,0.047747506,0.943918427,0.943918427,0.943918427,0.943918427,2.169411917,3.331938259,2.457539916,1.686030359,0.399277246,0.399277246,0.399277246,0.399277246,0.459005209,1.679446643,1.058262671,0.459005209,0.399277246,0.399277246,0.399277246,0.399277246,1.686030359,3.551601262,2.838982085,2.203037472,1.207644823,1.207644823,1.207644823,1.207644823,0.087788154,1.425395991,0.631337262,0.087788154,1.207644823,1.207644823,1.207644823,1.207644823,2.203037472,4.502896294,2.815110723,2.546278942,0.529411765,0.529411765,0.529411765,0.529411765,0.336619273,1.478155702,0.958043648,0.336619273,0.529411765,0.529411765,0.529411765,0.529411765,2.546278942,0,0,0,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.577350269,0,0,0,0.204124145,0,0,0,0,0,0,0,0,0,3.577350269,1.732050808,1.732050808,0,0,0,0,0,0.894337567,0.577350269,0.577350269,0,0,0,0,0,2.90824829,1.204124145,0.90824829,0,0,0,0,0,0.727062073,0.401374715,0.30274943,0,0,0,0,0,5.340282516,9.994173343,9.525490196,9.68,5.875902994,77.23928623,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,0.5953,16.355,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.444444444,0.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.802777778,0,0,0,0,0,0,0,0,0,0,3.055555556,0,0,0,0,0,0,0,0,0.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.444444444,0.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0,0,0,0,0,0,0,0,0,0,1.527777778,0,0,0,0,0,0,0,0,0.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.444444444,0.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0,0,0,0,0,0,0,0,0,0,1.527777778,0,0,0,0,0,0,0,0,0.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,3.166666667,0.722222222,9.444444444,0.375,0.166666667,1.2965,1.5,2.444444444,4.888888889,1.5,2.444444444,4.888888889,1.83333,0.45833,0,0.04167,0.53667,0.89167,0.41429,0.53667,0.89167,0.12238,0,-0.12238,0,0.51402,0.20027,0,0.72727,0.27273,0,3.25,0.8125,1.75,0.4375,1.5,0.375,-0.25,-0.0625,0,0,1.82035,0.45509,3.23204,1.41169,0.35292,0.93545,0.23386,1.73204,0.79659,0.19915,0.18196,0.04549,0.18196,0.04549,0,3.01,1,1,1,1,0,0,0.666666667,1.295461844,1.570950594,1.570950594,1.238757785,0.442179356,0,12.95461844,15.70950594,15.70950594,12.38757785,4.421793565,0,0.389972873,0.472903251,0.472903251,0.372903251,0.13310925,0,2.026466251,1.7509775,1.7509775,2.08317031,2.879748738,3.321928095,0.389972873,0.472903251,0.472903251,0.372903251,0.13310925,0,12.01211119,15.31797619,15.31797619,11.33166248,0.445639424,0,14.69023282,12.8764029,12.8764029,10.88324604,2.653076139,0,4,1.333333333,0,4,1,3,1.68,0.547,0.5,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,1.891,3,0,0,0,0,0,0,0,0,10,1.609437912,1.791759469,0,0,0,0,0,0,0,0,2.63905733,1.3,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.666666667,0,1,2,1,1.5,0,0,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0.5,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,17.07,66.59818058,3,2.564949357,2.944438979,3.610917913,4.007333185,4.691347882,5.093750201,5.783825182,6.188264123,6.880384082,48.76521091,1.945910149,0,2.944438979,0,4.007333185,0,5.093750201,0,6.188264123,6.59441346,58.04186481,5.804186481,6.732050808,1.683012702,2.244016936,2.244016936,0,9,0,0.185,12,1.211555556,2.075558911,2.964444264,3.455839438,0,0,0,0,0,0,83.15270551,96.7130536,41.69140174,3.511354043,0,0,0,0,0,0,267.7869302,289.3954037,292.9119095,107.4204299,0,0,0,0,0,0,9.156639517,15.47784348,24.49591298,23.21793286,0,0,0,0,0,0,1.941230202,2.180243476,2.465881258,1.536510811,0,0,0,0,0,0,176.7173868,336.6372425,500.1874773,639.0457147,0,0,0,0,0,0,4.167703704,7.280426158,13.14375505,3.455839438,0,0,0,0,0,0,0.431131667,0.528756373,0.660673963,0.353877958,0,0,0,0,0,0,293.9577447,91.68237298,16.04317247,154.3936528,-48.15377964,-16.84500725,139.5640919,139.8361526,32.88817972,0.655641415,0.20448776,0.035782586,0.344358585,-0.107401873,-0.037570993,131.7963656,41.10592005,7.192978796,69.22260998,-21.58981439,-7.55248254,0.405613016,0.961195961,29.53009917,52.06490991,394.1845969,54.16680057,0.879186725,0.120813275,258.0508908,16.06396249,6.366515307,316.1731073,17.78125719,6.812528139,347.8369697,18.65038792,7.032751083,1.188747179,1.090502439,101.7571194,59.03708016,49.46173625,1.723613687,2.057289677,1.193590938,2.687874941,2.139642451,4.126646124,0.928661549,1.686618357,1.984186181,1.174225066,4.475593941,1.018533209,1.184963272,0.410417466,1.77E-06,1.50E-33,2.45E-82,7.72E-153,4.69E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.158039956,1.984130405,0.073900387,1.424009422,0.11171632,0.086786565,0.002890604,1.24E-08,1.05E-35,1.72E-84,5.43E-155,3.30E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.462794319,1.984016451,0.254793748,1.476907459,0.203014914,0.288266623,0.03012232,1.30E-07,1.10E-34,1.80E-83,5.66E-154,3.44E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.597140986,1.984238443,1.09140293,4.67381541,1.255634126,1.11024958,0.365674574,1.57E-06,1.33E-33,2.18E-82,6.87E-153,4.18E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.674498251,1.983980593,0.391948735,1.603273218,0.210936778,0.433174038,0.065429704,2.82E-07,2.39E-34,3.90E-83,1.23E-153,7.48E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.036858937,1.984283395,1.498435905,5.938953258,1.468510199,1.47284242,0.598555303,2.58E-06,2.18E-33,3.57E-82,1.13E-152,6.84E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.981244107,1.854121163,0.488618225,5.387537575,1.891954192,0.620114695,0.115030501,4.95E-07,4.20E-34,6.86E-83,2.16E-153,1.31E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.926207306,0.697470703,0.33446763,0.651153642,0.235779704,0.648317473,0.328468477,0.4,2.958145639,2.22100853,5.628502454,0.476730463,1.37678595,1.072858391,0.958388746,0.058048101,0.51350253,0.45871389,0.790034971,0.160073073,0.012048357,2.089295238,1.146125447,3.295106637,0.45832463,0.962156401,1.427285749,0.693901905,0.169676287,0.623033836,0.302899658,0.356097641,0.324899585,0.102942357,2.290863941,1.350311545,3.809222253,0.434550754,0.783939582,1.837758428,0.791172343,0.31589422,0.624063716,0.268665318,0.59025209,0.422517097,0.356808478,2.94482499,2.284447676,5.688577694,0.436095575,1.369577665,1.645928117,0.565882062,0.22727624,0.674813366,0.232005745,0.473355839,0.216232877,0.184697016,2.439086418,1.434093097,4.084864878,0.512220049,0.874285732,1.970904252,0.727704765,0.352605072,0.645940991,0.23849679,0.678765399,0.35755243,0.444558497,3.051214088,2.385779642,5.942712765,0.468911486,1.480876327,1.83743659,0.793018832,0.315256676,0.623766522,0.269211249,0.590048091,0.424488182,0.355369696,2.945712099,2.286390453,5.691469934,0.435649783,1.369905969 +UMLKV0209,L,METHYL ETHYL KETONE,CCC(=O)C,C4H80,Ketone,Ketones,78-93-3,2.271796133,PubChem,,0.4403,0,-0.1678,0.02815684,21.2183,13.176344,0,0,13,5,8,0,4,0,1,0,0,0,0,0,0,0,841.152997,721.813056,801.039548,520.016158,127.119888,9.144576,0,0,0,2159.128339,2491.173138,2817.445182,2240.709955,1120.963057,279.7536999,0,0,0,97.261492,89.596488,153.354368,162.18208,111.43008,60.466176,0,0,0,15.35570724,18.61439448,22.50421343,18.37811184,10.95324725,4.001516144,0,0,0,2171.969926,1758.706778,3385.92441,3540.545362,2583.794029,1664.258868,0,0,0,70.02777778,35.5,54.66666667,72.5,39,9,0,0,0,64.70407669,60.151088,38.14474038,24.76267419,8.4746592,1.016064,0,0,0,166.0867953,207.5977615,134.1640563,106.700474,74.73087045,31.08374443,0,0,0,7.481653231,7.466374,7.302588952,7.72295619,7.428672,6.718464,0,0,0,1.181208249,1.55119954,1.071629211,0.875148183,0.730216483,0.444612905,0,0,0,167.0746097,146.5588982,161.2344957,168.5973982,172.2529352,184.917652,0,0,0,5.386752137,2.958333333,2.603174603,3.452380952,2.6,1,0,0,0,0.116734907,-0.043719365,0.016018701,-0.016640793,-0.020549681,0.006523684,0,0,0,441.1976548,-41.78727394,69.51147299,-238.9624972,-194.75808,185.3975508,0,0,0,616.1115392,-93.79664945,-55.60441254,-213.0974229,-200.2194672,254.6621825,0,0,0,1.006116923,-6.21E-04,0.13220097,-0.503992568,-0.280593373,0.149947669,0,0,0,2.72042466,-0.468030278,-0.785752447,-0.499870012,-0.522865801,0.916306209,0,0,0,15.16770937,-2.625121323,-5.163715131,-2.13547618,-2.298229156,4.638687108,0,0,0,32.23076923,-1.225838264,4.037475345,-13.93688363,-9.464990138,4.474852071,0,0,0,0.008979608,-0.00364328,7.63E-04,-7.92E-04,-0.001369979,7.25E-04,0,0,0,33.93828114,-3.482272828,3.310070142,-11.37916654,-12.983872,20.59972786,0,0,0,47.39319532,-7.816387454,-2.647829169,-10.14749633,-13.34796448,28.29579805,0,0,0,0.077393609,-5.18E-05,0.006295284,-0.023999646,-0.018706225,0.016660852,0,0,0,0.209263435,-0.039002523,-0.037416783,-0.023803334,-0.03485772,0.101811801,0,0,0,1.166746874,-0.21876011,-0.245891197,-0.101689342,-0.153215277,0.515409679,0,0,0,2.479289941,-0.102153189,0.192260731,-0.663661125,-0.630999343,0.497205786,0,0,0,-0.405728217,0.084947504,-0.088246468,-0.152565536,0.080722209,0,0,0,-0.102606046,0.09753205,-0.335290007,-0.382573058,0.606976169,0,0,0,-0.164926366,-0.055869395,-0.214112939,-0.281643058,0.597043476,0,0,0,-6.69E-04,0.081341138,-0.31009855,-0.241702448,0.215274261,0,0,0,-0.18638002,-0.178802298,-0.113748175,-0.166573391,0.486524561,0,0,0,-0.187495776,-0.210749394,-0.087156301,-0.131318352,0.441749355,0,0,0,-0.041202599,0.077546691,-0.267681934,-0.254508088,0.200543622,0,0,0,1.062215437,0.681919935,1.593286668,1.163224051,0.002857259,0,0,0,1.115636275,0.804607552,1.365168907,1.269803936,0,0,0,0,1.489558193,1.075951506,1.044664406,1.03949117,0,0,0,0,0.504012991,0.535606025,1.889417436,1.401756762,0,0,0,0,1.618280118,1.215260987,0.934331327,0.895946666,0,0,0,0,1.624974654,1.239232173,0.928593153,0.86506482,0,0,0,0,0.548130469,0.537049665,1.853449256,1.414797136,0,0,0,0,12.77619957,6.513099786,10.22505772,12.92619957,2.585239914,6.516774527,0.25,0.1306296,0.02612592,-1.01769472,11.90914351,2.381828702,1.238653234,12.77777588,6.513520731,10.22558559,12.92733523,2.585467046,6.517193046,0.249265579,0.13061915,0.02612383,-1.017734719,11.90897455,2.38179491,1.23864614,14.1751531,6.888079312,10.73747523,13.93575642,2.787151283,6.890260255,-0.398994478,0.11840198,0.023680396,-1.066834918,12.03449998,2.406899996,1.243888762,12.77943025,6.513962525,10.22613968,12.92852713,2.585705426,6.517632296,0.2484948,0.130608178,0.026121636,-1.017776721,11.90879763,2.381759525,1.238638712,15.6579477,7.287826716,11.45798465,15.00857114,3.001714227,7.289195865,-1.082294264,0.090476734,0.018095347,-1.201331272,14.22786058,2.845572117,1.327601028,12.94127396,6.557204073,10.28080082,13.04515447,2.609030894,6.560636876,0.173134186,0.129509581,0.025901916,-1.022000209,11.89363693,2.378727385,1.238001773,13.76630139,7.005248527,11.2898956,13.9028887,2.780577739,7.007901847,0.682936508,0.169182504,0.033836501,-0.888388621,10.79525804,2.159051608,1.189553484,0,11.89,15.99491564,-0.299501627,0.190864822,3.800872342,5.916761187,4,12,11,11,3,1,1,0,0,1,9.703656,3.481460676,2.739456945,2.081809984,1.560661502,0.083923071,0.083923071,0.083923071,0.083923071,1.77759456,1.418816429,0.878342149,0.204837785,0.083923071,0.083923071,0.083923071,0.083923071,3.424539498,2.758788548,2.026000513,1.518530057,0.270913902,0.270913902,0.270913902,0.270913902,1.750226965,1.333860063,0.784330887,0.33189989,0.270913902,0.270913902,0.270913902,0.270913902,3.585319586,3.000262615,2.389565097,1.968602082,0.943918427,0.943918427,0.943918427,0.943918427,1.545897766,1.020838251,0.365028945,0.150433645,0.943918427,0.943918427,0.943918427,0.943918427,3.421895474,2.788547393,2.048278811,1.516985726,0.399277246,0.399277246,0.399277246,0.399277246,1.73687986,1.279168899,0.733906404,0.347680984,0.399277246,0.399277246,0.399277246,0.399277246,3.619308344,3.097070159,2.492306145,2.06826822,1.207644823,1.207644823,1.207644823,1.207644823,1.506092443,0.926061839,0.24808145,0.235603407,1.207644823,1.207644823,1.207644823,1.207644823,4.661176504,3.108505558,2.737414498,1.92553455,0.558139535,0.558139535,0.558139535,0.558139535,1.593937563,1.117178388,0.546550171,0.40643036,0.558139535,0.558139535,0.558139535,0.558139535,0,0,0,1,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.144337567,0,0,0,0.40824829,0,0,0.144337567,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.615355072,1.764784317,1.055568494,0.497890958,0,0,0,0,0.723071014,0.441196079,0.263892123,0.248945479,0,0,0,0,6.88211032,12.8820102,12.25098039,12.44,7.674457485,100.2675413,0.529393102,0.990923861,0.942383107,0.956923077,0.590342883,7.712887794,0.9854,20.972,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.707291667,0.802777778,0,0,0,0,0,0,0,0,0,0,3.43287037,0,0.666666667,0,0,0,0,0,0,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305902778,0.401388889,0,0,0,0,0,0,0,0,0,0,1.583333333,0,0.666666667,0,0,0,0,0,0,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,1.849537037,0,0.666666667,0,0,0,0,0,0,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.16666667,2.833333333,0.644097222,9.8125,0.305902778,0.25462963,1.768430556,1.412037037,2.8125,5.625,1.412037037,2.8125,5.625,2.33333,0.46667,0,0.03333,0.51282,0.85333,0.41765,0.51282,0.85333,0.09517,0,-0.09517,0,0.54687,0.16742,0,0.57143,0.21429,0,3.75,0.75,2.25,0.45,1.5,0.3,-0.75,-0.15,0,0,2.86751,0.5735,4.43249,1.56498,0.313,1.52767,0.30553,2.27005,0.74238,0.14848,0.14395,0.02879,0.14395,0.02879,0,4.01,1,1,1,1,0,0,0.75,1.238901257,1.854285872,2.81507241,2.81507241,2.091927838,0.514835639,16.10571634,24.10571634,36.59594133,36.59594133,27.1950619,6.692863305,0.334798389,0.501098792,0.760739973,0.760739973,0.565318718,0.139128233,2.461538462,1.846153846,0.885367308,0.885367308,1.60851188,3.185604079,0.334798389,0.501098792,0.760739973,0.760739973,0.565318718,0.139128233,11.26589917,18.65051456,19.61881928,19.61881928,10.94108442,0.518864244,18.28260559,12.5570933,12.86880152,12.86880152,11.02264767,3.089013833,5,2.25,4,5,1,4,1.79,0.6879,0.333333333,1.414213562,1.414213562,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,2.39,4,2,0,0,0,0,0,0,0,15,1.791759469,1.945910149,1.386294361,0,0,0,0,0,0,0,2.995732274,1.266666667,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,3,0.75,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,17.07,83.8941652,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,72.05751488,5.54288576,8.696801932,1.739360386,2.31305253,2.31305253,0,18,2,0.438,16,1.221083333,2.099772918,2.904872235,3.603141743,4.74351686,0,0,0,0,0,82.91991531,91.01101631,76.55742057,31.70819485,4.819716715,0,0,0,0,0,275.8751935,306.311941,326.4894081,286.2616583,147.4462658,0,0,0,0,0,9.14481753,15.46361024,22.47891371,26.52321,31.86914726,0,0,0,0,0,2.016443013,2.382180892,2.648824038,2.807975132,2.10902881,0,0,0,0,0,177.0345897,334.647534,487.0357992,611.6549473,877.1600002,0,0,0,0,0,3.679986111,5.863484892,10.10492466,8.874376746,4.74351686,0,0,0,0,0,0.439259375,0.551531963,0.656330969,0.666619237,0.485736127,0,0,0,0,0,331.5235352,120.5879334,8.305458331,122.7092591,-44.63410408,-18.67389915,208.814276,165.2220375,26.97935748,0.729853809,0.265476062,0.018284585,0.270146191,-0.098262619,-0.041110856,150.5888618,54.77499397,3.772611546,55.73856967,-20.27427382,-8.482297392,0.355480766,0.823365415,2.280595705,41.24593298,404.1384714,50.09432293,0.889716631,0.110283369,320.13246,17.89224581,6.840847421,397.6287486,19.9406306,7.353474524,470.7611015,21.69702978,7.779174677,1.43651594,1.283100829,177.1355082,134.5796116,52.62682671,1.316213549,3.365878569,2.557243519,3.066871681,3.18658557,5.271540682,0.654291268,2.244419464,2.932703488,2.207360848,4.226063592,2.385408512,1.056015733,1.193109647,4.906929998,1.465077131,0.010821517,1.80E-23,5.77E-66,3.57E-130,4.26E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.204852337,2.932605608,0.181229695,2.21010592,0.10907198,0.110377275,0.210262273,0.316762492,0.010318658,7.62E-05,1.27E-25,4.06E-68,2.51E-132,3.00E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.613910393,2.932494545,0.461673028,2.145306197,0.304568405,0.197894696,0.408314574,1.085173912,0.107528372,7.94E-04,1.32E-24,4.23E-67,2.62E-131,3.12E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.12365973,2.932751156,2.328760228,4.219365685,2.400525241,1.295298803,1.132032032,4.566299496,1.305357347,0.009641777,1.60E-23,5.14E-66,3.18E-130,3.79E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.897215541,2.932462367,0.61954906,2.251840068,0.45538232,0.204490751,0.545033703,1.662707166,0.233565993,0.001725191,2.87E-24,9.20E-67,5.69E-131,6.79E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.710484556,2.932820006,2.969799732,5.153673586,3.426321908,1.537066458,1.420283987,6.235829705,2.136677305,0.015782165,2.62E-23,8.41E-66,5.20E-130,6.21E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.351274107,2.689716864,2.472765171,4.372262362,2.154264068,2.141250433,0.813375032,2.67209786,0.456400447,0.003371116,5.60E-24,1.80E-66,1.11E-130,1.33E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.027551607,0.722277129,0.384336023,0.732324855,0.174709324,0.604534484,0.417786721,0.4615227,4.134164759,3.627925547,8.602529912,0.598487282,1.483843905,1.815366938,0.78205338,0.069845358,0.680609717,0.293204155,0.224879182,0.424963504,0.015242141,2.667265676,1.601131602,4.3675577,0.520914576,0.665084828,2.406592006,0.610115198,0.196681769,0.748926453,0.189866587,0.382640339,0.290662255,0.120864593,3.213388973,2.061629668,5.56380616,0.62338968,0.794167186,2.921986843,0.774761263,0.366104671,0.719195847,0.190693905,0.563154987,0.478054161,0.418775651,4.062852777,3.617238968,8.508894956,0.57879377,1.459984799,2.676125482,0.563137637,0.259944912,0.764780333,0.160932883,0.472423041,0.251879722,0.211122016,3.499208031,2.349056945,6.240008971,0.647170499,0.935424779,3.084448587,0.754783018,0.405757721,0.726609268,0.177805634,0.627475109,0.456679776,0.514404156,4.244989327,3.885887282,9.075516864,0.589913902,1.598559041,2.9230684,0.779276526,0.365313768,0.718612013,0.191578641,0.563573536,0.483600161,0.416968227,4.067658693,3.630396161,8.530195264,0.577918019,1.464141924 +UMLKV0210,L,METHYL-N-PROPYL KETONE,CCCC(=O)C,C5H10O,Ketone,Ketones,107-87-9,2.457807555,PubChem,,0.5184,0,-0.4558,0.20775364,24.1299,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,890.291353,994.748085,716.772887,477.731566,127.119888,9.144576,0,0,2644.81273,3144.163273,3730.992294,3247.508299,2181.171529,1120.963057,279.7536999,0,0,118.238936,111.372268,196.083876,225.06698,174.07936,111.43008,60.466176,0,0,19.03383305,23.6303831,30.19190358,27.3996407,19.44148531,10.95324725,4.001516144,0,0,2668.599586,2191.74623,4310.126609,5019.500517,4094.498444,2583.794029,1664.258868,0,0,74.27777778,40.75,63.83333333,82.16666667,57.5,39,9,0,0,61.71557788,59.35275687,36.84252167,23.89242957,19.90548192,8.4746592,1.016064,0,0,165.3007956,209.6108849,138.1848998,108.2502766,90.88214705,74.73087045,31.08374443,0,0,7.3899335,7.424817867,7.262365778,7.502232667,7.253306667,7.428672,6.718464,0,0,1.189614566,1.575358873,1.118218651,0.913321357,0.810061888,0.730216483,0.444612905,0,0,166.7874742,146.1164153,159.6343189,167.3166839,170.6041018,172.2529352,184.917652,0,0,4.642361111,2.716666667,2.364197531,2.738888889,2.395833333,2.6,1,0,0,0.121454569,-0.043193133,0.010656547,-0.031482461,0.019033133,-0.022148813,0.006407442,0,0,523.7576238,-43.92541314,19.66342755,-230.5705662,19.12723312,-198.4686508,172.2951575,0,0,766.4429154,-94.95499335,-135.8422519,-212.6341937,13.9033117,-202.6791246,248.9857942,0,0,1.03666,-0.00156025,0.12109675,-0.4250675,-0.05685,-0.27394125,0.11799225,0,0,3.391946473,-0.464107523,-1.103534916,-0.493834691,-0.053678424,-0.513699117,0.932881435,0,0,18.82152525,-2.587911668,-6.817934048,-2.057802336,-0.526885346,-2.209029454,4.788800225,0,0,33.10416667,-0.858072917,4.178385417,-13.8828125,-0.25,-9.024739583,3.28515625,0,0,0.007590911,-0.002879542,3.95E-04,-0.001049415,7.93E-04,-0.001476588,7.12E-04,0,0,32.73485148,-2.928360876,0.728275094,-7.685685539,0.796968047,-13.23124338,19.14390639,0,0,47.90268221,-6.33033289,-5.031194516,-7.087806457,0.579304654,-13.51194164,27.66508825,0,0,0.06479125,-1.04E-04,0.004485065,-0.014168917,-0.00236875,-0.01826275,0.01311025,0,0,0.211996655,-0.030940502,-0.040871664,-0.016461156,-0.002236601,-0.034246608,0.103653493,0,0,1.176345328,-0.172527445,-0.252516076,-0.068593411,-0.021953556,-0.14726863,0.532088914,0,0,2.069010417,-0.057204861,0.154755015,-0.462760417,-0.010416667,-0.601649306,0.365017361,0,0,-0.379340816,0.051994674,-0.138246309,0.104473267,-0.194520475,0.093788227,0,0,-0.089456978,0.022247698,-0.234786021,0.024346164,-0.404194392,0.584817267,0,0,-0.132149863,-0.105029495,-0.147962622,0.012093366,-0.282070669,0.577526914,0,0,-0.001605412,0.06922331,-0.218685651,-0.036559721,-0.281870623,0.202345996,0,0,-0.145948065,-0.192793908,-0.077648189,-0.010550171,-0.161543152,0.488939285,0,0,-0.146663943,-0.21466152,-0.058310608,-0.01866251,-0.125191665,0.452323736,0,0,-0.027648416,0.074796634,-0.223662681,-0.005034613,-0.290790854,0.176421229,0,0,1.076669604,0.71134427,1.441396391,0.843171933,1.408745647,0.003828651,0,0,1.170927332,0.915782169,1.237378961,0.855531925,1.337055762,0,0,0,1.491123972,1.167254118,1.028522109,0.816418639,1.044504574,0,0,0,0.512040592,0.530805128,1.627408215,0.985701677,1.700571065,0,0,0,1.594610489,1.277272841,0.952397111,0.814556278,0.898214131,0,0,0,1.599979575,1.293653979,0.94524565,0.818462086,0.871412624,0,0,0,0.541220894,0.518145584,1.63876652,0.954216488,1.721837634,0,0,0,19.84869454,10.04934727,16.04478306,20.0153612,3.335893534,10.04946897,0.25,0.145135574,0.024189262,-1.15805219,27.35389766,4.558982943,1.985315417,19.85036888,10.04981723,16.04540607,20.01654593,3.336090989,10.04993885,0.249265579,0.145112873,0.024185479,-1.158146043,27.3472863,4.557881049,1.985170382,21.33863364,10.46981958,16.63031234,21.07263732,3.51210622,10.4698898,-0.398994478,0.12232631,0.020387718,-1.260637878,23.03690567,3.839484278,1.882258514,19.85212614,10.05031047,16.04606002,20.01778934,3.336298224,10.050432,0.2484948,0.145089042,0.024181507,-1.158244585,27.34035322,4.556725537,1.98501825,22.92527446,10.9214901,17.34527551,22.20374495,3.700624158,10.92153228,-1.082294264,0.090382996,0.015063833,-1.442219477,20.70991669,3.451652782,1.818367592,20.02409351,10.09861385,16.1104278,20.1395163,3.35658605,10.09872726,0.173134186,0.142726626,0.023787771,-1.168094512,26.68900312,4.448167187,1.970550968,22.01238989,11.08688214,18.18853627,22.2350354,3.705839233,11.08693252,0.667936508,0.189107237,0.031517873,-0.99926462,46.65332405,7.775554009,2.305646508,0,11.89,15.99491589,-0.299494891,0.191074243,3.958059471,6.545506816,5,15,14,14,4,1,1,0,0,1,11.89007,3.513617914,2.995054802,2.243611616,1.952483458,1.332142786,0.083923071,0.083923071,0.083923071,1.827144974,1.522159866,1.138252891,0.677479591,0.204151997,0.083923071,0.083923071,0.083923071,3.472090895,2.98933329,2.30767854,1.820712504,1.385331191,0.270913902,0.270913902,0.270913902,1.790675693,1.463585996,1.027058745,0.579702946,0.315668329,0.270913902,0.270913902,0.270913902,3.621651732,3.196376987,2.604042724,2.222194235,1.848806117,0.943918427,0.943918427,0.943918427,1.596730793,1.19210608,0.65466726,0.128065661,0.184834489,0.943918427,0.943918427,0.943918427,3.474545379,3.005356509,2.35732026,1.812352255,1.426573966,0.399277246,0.399277246,0.399277246,1.771859608,1.425885195,0.953681105,0.549214971,0.298158986,0.399277246,0.399277246,0.399277246,3.659745852,3.268622823,2.735145633,2.29559102,2.001683896,1.207644823,1.207644823,1.207644823,1.553950198,1.120679461,0.528591107,0.027361458,0.309758365,1.207644823,1.207644823,1.207644823,4.768705223,3.280342642,2.816953504,2.424657776,1.650623634,0.576923077,0.576923077,0.576923077,1.675474914,1.218219242,0.828853611,0.313741666,0.4411605,0.576923077,0.576923077,0.576923077,0,0,0,1,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.144337567,0,0,0,0.288675135,0.288675135,0,0.102062073,0.102062073,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.322461853,2.264784317,1.452015103,0.602062073,0.352062073,0,0,0,0.720410309,0.452956863,0.290403021,0.200687358,0.176031036,0,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,1.3755,25.589,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,2,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.972916667,0.802777778,0,0,0,0,0,0,0,0,0,0,3.615972222,0,1.717592593,0,0,0,0,0,0,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.265625,0.401388889,0,0,0,0,0,0,0,0,0,0,1.614583333,0,0.736111111,0,0,0,0,0,0,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.001388889,0,0.981481481,0,0,0,0,0,0,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.66666667,2.611111111,0.594097222,10.04375,0.265625,0.289351852,2.349181019,1.377314815,3.04375,6.090277778,1.377314815,3.04375,6.090277778,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.42,0.49792,0.82778,0.07792,0,-0.07792,0,0.57047,0.14382,0,0.47059,0.17647,0,4.25,0.70833,2.75,0.45833,1.5,0.25,-1.25,-0.20833,0,0,4.00539,0.66756,5.69868,1.6933,0.28222,2.02767,0.33795,2.77005,0.74238,0.12373,0.14395,0.02399,0.14395,0.02399,0,5.01,1,1,1,1,0,0,0.8,1.198192411,1.923794941,3.155639062,3.155639062,2.905639062,1.905639062,19.17107858,30.78071905,50.490225,50.490225,46.490225,30.490225,0.299548103,0.480948735,0.788909766,0.788909766,0.726409766,0.476409766,2.801807589,2.076205059,0.844360938,0.844360938,1.094360938,2.094360938,0.299548103,0.480948735,0.788909766,0.788909766,0.726409766,0.476409766,10.71860945,19.4258398,20.66732315,20.66732315,17.66732315,9.789388759,21.96987352,13.73794941,13.71691719,13.71691719,12.21691719,9.966917187,6,3.2,5.333333333,6,1,5,1.9,0.8288,0.25,2.149139864,1.154700538,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,2.889,5,3,2,0,0,0,0,0,0,21,1.945910149,2.079441542,1.609437912,1.386294361,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,17.07,101.1901498,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,86.07316494,5.379572809,10.67917749,1.779862916,2.347570326,2.347570326,0,32,3,1.007,20,1.2268,2.113364829,2.896846543,3.596214336,4.937497236,5.820562243,0,0,0,0,82.78024119,88.02694618,76.67620692,85.98988054,43.21387058,5.914063755,0,0,0,0,280.7281514,316.1513677,335.6752916,370.9628544,383.0039444,180.9248692,0,0,0,0,9.137724337,15.4572796,21.78617485,26.07020108,36.59923608,39.10523789,0,0,0,0,2.061570699,2.496831577,2.779517058,3.213775422,3.736094519,2.587897087,0,0,0,0,177.2249115,333.5272639,481.6109711,602.3507378,844.0222224,1076.324703,0,0,0,0,3.395038889,5.309415515,8.049055351,8.752170784,12.6899337,5.820562243,0,0,0,0,0.444136,0.564662815,0.65641917,0.747552038,0.900452847,0.596025574,0,0,0,0,332.9460549,139.6485682,11.64907859,183.6545531,-77.03078325,-20.29632305,149.2915018,216.6793515,31.94540164,0.644494121,0.270322114,0.022549487,0.355505879,-0.149110903,-0.039288229,172.0001344,72.14253524,6.017921083,94.87605379,-39.79414946,-10.48509283,0.308901391,0.714009424,7.800769341,30.39959571,474.0247053,42.57590266,0.91758449,0.08241551,382.2140291,19.55029486,7.257196369,479.08439,21.88799648,7.824753652,582.7530733,24.14027906,8.352725147,1.656069001,1.452219181,315.9669092,269.5052394,59.86183295,1.172396165,5.278269869,4.502121403,3.544697262,3.285516602,6.459304838,0.965993669,2.80222057,3.881220796,1.659208075,9.116828954,3.023478043,0.137325654,1.998056806,7.579451155,2.085600173,1.105747281,0.045295356,1.694936254,4.02E-13,1.84E-47,1.62E-103,2.77E-181,9.08E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,0.251664719,3.88108081,0.108734846,3.337172573,0.110200318,0.002843412,0.358811407,0.358102133,0.886687385,0.013053462,3.67E-04,0.011937575,2.83E-15,1.30E-49,1.14E-105,1.95E-183,6.40E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765026468,3.88097264,0.371109428,3.589299283,0.342752115,0.014492837,0.66344821,1.23111329,1.121989236,0.09468392,0.00344879,0.124398732,2.95E-14,1.35E-48,1.19E-104,2.03E-182,6.67E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650178473,3.881263869,1.545147685,9.009618661,2.966716283,0.124042604,1.912250385,7.17548485,2.00890587,0.988826592,0.040390678,1.510157688,3.58E-13,1.64E-47,1.45E-103,2.46E-181,8.09E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,1.11993283,3.88094414,0.567287792,3.973984989,0.546604501,0.027044658,0.882765729,1.945293964,1.286305134,0.192708715,0.007372114,0.270210668,6.41E-14,2.93E-48,2.59E-104,4.41E-182,1.45E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,3.384110175,3.881356617,2.103259019,11.74455305,4.367864151,0.194991506,2.388236595,10.30949408,2.373489365,1.595453589,0.065901129,2.471905234,5.86E-13,2.68E-47,2.37E-103,4.03E-181,1.32E-280,0,0,0,0,0,0,0,0,0,0,0,0,0,1.722243656,3.584119896,0.817405473,8.375145509,2.503703049,0.052386787,1.387716089,4.538667569,1.886527065,0.390833769,0.015285688,0.564142984,1.34E-13,6.13E-48,5.41E-104,9.21E-182,3.02E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,4.298308944,0.76307367,0.415503769,0.784808857,0.139326182,0.571478487,0.435097948,0.499980711,5.476886383,5.382949933,12.22265809,0.677213286,1.506557147,3.146876468,0.705610871,0.077800227,0.800673339,0.179531614,0.318767766,0.338503802,0.017529319,3.930287567,2.520194637,6.623235294,0.701010008,0.674800888,3.661752897,0.616844975,0.21380166,0.815099563,0.137308574,0.415474893,0.28634611,0.13238094,4.492399532,3.173505204,8.148825789,0.722649345,0.834201944,4.210494886,0.806288475,0.397925649,0.777603169,0.148907074,0.548365433,0.488232146,0.458571628,5.414709011,5.391180277,12.15679653,0.666404754,1.495169208,3.912083873,0.59247624,0.280208577,0.817611911,0.123825472,0.473344335,0.263103145,0.227387279,4.78476869,3.580033123,9.014273944,0.726417867,0.963834759,4.362984672,0.797203455,0.439055472,0.779209655,0.142376991,0.588812263,0.474806345,0.558267188,5.599243599,5.743795286,12.87015568,0.668814482,1.621885796,4.217789496,0.812485802,0.397230173,0.777113817,0.149697832,0.550297913,0.495979347,0.456970088,5.427505471,5.425071209,12.21384241,0.665670726,1.503247348 +UMLKV0211,L,METHYL-N-BUTYL KETONE,CCCCC(=O)C,C6H12O,Ketone,Ketones,591-78-6,2.615230371,PubChem,,0.6228,0,-0.7438,0.55323844,27.0415,19.363516,0,0,19,7,12,0,6,0,1,0,0,0,0,0,0,0,1133.745495,1058.76965,1188.456622,913.529616,674.488295,477.731566,127.119888,9.144576,0,3130.497121,3797.153407,4644.539406,4254.306644,3187.969874,2181.171529,1120.963057,279.7536999,0,139.21638,133.148048,238.813384,287.95188,236.96426,174.07936,111.43008,60.466176,0,22.71195886,28.64637172,37.87959372,36.42116956,28.46301417,19.44148531,10.95324725,4.001516144,0,3165.229247,2624.785681,5234.328808,6498.455672,5573.453599,4094.498444,2583.794029,1664.258868,0,78.52777778,46,73.08333333,94.33333333,67.16666667,57.5,39,9,0,59.67081553,58.82053611,36.01383703,23.42383631,20.43903924,19.90548192,8.4746592,1.016064,0,164.7630063,210.9529671,140.7436184,109.0847858,96.6051477,90.88214705,74.73087045,31.08374443,0,7.327177895,7.397113778,7.236769212,7.383381538,7.180735152,7.253306667,7.428672,6.718464,0,1.195366256,1.591465096,1.147866476,0.933876143,0.862515581,0.810061888,0.730216483,0.444612905,0,166.591013,145.8214267,158.6160245,166.6270685,168.8925333,170.6041018,172.2529352,184.917652,0,4.133040936,2.555555556,2.214646465,2.418803419,2.035353535,2.395833333,2.6,1,0,0.125782762,-0.042951734,0.009027163,-0.034730979,0.004189151,0.017423503,-0.022252543,0.006404058,0,605.7336044,-45.41908671,-27.34060142,-225.3819707,17.70542748,14.50885989,-200.546419,163.6069882,0,916.6964704,-95.75164029,-214.459928,-212.3909728,11.92103639,11.49506753,-204.3006103,245.1388123,0,1.062550737,-0.002447645,0.109778404,-0.375473618,-0.035140964,-0.060606404,-0.265716898,0.098331756,0,4.063287563,-0.461433045,-1.426951984,-0.489876471,-0.044708272,-0.045697494,-0.507284499,0.944307985,0,22.47243353,-2.562605463,-8.525997698,-2.007411652,-0.435735255,-0.451650591,-2.145702598,4.892886488,0,33.75438596,-0.618190212,4.246768236,-11.78970452,-2.43744229,-0.308171745,-8.547322253,2.576869806,0,0.006620145,-0.002386207,2.74E-04,-8.91E-04,1.27E-04,7.26E-04,-0.001483503,7.12E-04,0,31.88071602,-2.523282595,-0.828503073,-5.779024889,0.536528105,0.604535829,-13.36976126,18.17855424,0,48.24718265,-5.319535572,-6.498785696,-5.44592238,0.361243527,0.478961147,-13.62004069,27.23764581,0,0.055923723,-1.36E-04,0.003326618,-0.009627529,-0.001064878,-0.002525267,-0.01771446,0.010925751,0,0.21385724,-0.025635169,-0.043240969,-0.012560935,-0.001354796,-0.001904062,-0.033818967,0.104923109,0,1.18275966,-0.14236697,-0.258363567,-0.051472094,-0.013204099,-0.018818775,-0.14304684,0.543654054,0,1.77654663,-0.034343901,0.128689947,-0.302300116,-0.073861888,-0.012840489,-0.569821484,0.286318867,0,-0.360446384,0.041320906,-0.134519392,0.019175405,0.109662137,-0.224089165,0.107484347,0,-0.079147614,-0.025987593,-0.181270235,0.016829236,0.018962429,-0.419368287,0.570205331,0,-0.11025588,-0.134697724,-0.112875448,0.00748735,0.009927236,-0.28229712,0.564543758,0,-0.002431532,0.059484922,-0.172154645,-0.01904161,-0.045155557,-0.316761097,0.195368801,0,-0.119870476,-0.202195489,-0.058735141,-0.006335049,-0.008903427,-0.158138048,0.490622199,0,-0.12036847,-0.218441308,-0.043518642,-0.011163805,-0.015910903,-0.120943286,0.459648797,0,-0.019331832,0.07243826,-0.170161656,-0.041576104,-0.007227781,-0.320746708,0.161165974,0,1.089602266,0.728182814,1.34073916,0.815137802,0.984484004,1.633405699,0.00445001,0,1.212328523,0.995485519,1.172111103,0.863636364,0.88769987,1.387328971,0,0,1.492302918,1.226099545,1.020484648,0.863636364,0.819121664,1.047962753,0,0,0.521883785,0.532804333,1.48622188,0.863636364,1.154020187,1.990960739,0,0,1.578834284,1.31705836,0.962518288,0.863636364,0.815969213,0.899772179,0,0,1.583316226,1.329172695,0.955339796,0.863636364,0.822592078,0.875809806,0,0,0.538201663,0.50700482,1.491544059,0.880693631,1.123002209,2.026403326,0,0,28.43257007,14.34128503,23.05144867,28.61114149,4.087305928,14.34128689,0.25,0.138971805,0.019853115,-1.381438944,23.50229795,3.357471135,2.209968741,28.43432564,14.34179561,23.052129,28.61237248,4.087481783,14.34179747,0.249265579,0.138946898,0.019849557,-1.381564413,23.5030877,3.357583957,2.209992263,29.99701124,14.79900838,23.6809046,29.71201518,4.244573598,14.79900943,-0.398994478,0.115079663,0.016439952,-1.513491466,24.46834097,3.495477281,2.238166054,28.43616817,14.34233148,23.0528431,28.61366445,4.087666351,14.34233334,0.2484948,0.138920753,0.019845822,-1.38169614,23.50391713,3.357702448,2.210016966,31.66787216,15.29278895,24.41410735,30.89480483,4.413543547,15.29278956,-1.082294264,0.085054607,0.012150658,-1.725123257,26.47150277,3.781643252,2.293248151,28.61650849,14.39482134,23.12302689,28.74017577,4.105739395,14.39482307,0.173134186,0.136340978,0.019477283,-1.394817436,23.58799032,3.369712902,2.212516388,31.74348259,15.92540144,26.21760852,32.02545538,4.575065054,15.92540188,0.657936508,0.181700789,0.025957256,-1.193775772,21.62016816,3.088595451,2.151538613,0,11.89,15.99491614,-0.299498658,0.191089619,4.036652894,6.8598926,6,18,17,17,5,1,1,0,0,1,14.076484,3.531913601,3.151872913,2.51774015,2.076928408,1.708564476,1.223806689,0.083923071,0.083923071,1.860793456,1.600196268,1.29806892,0.903097839,0.592895389,0.204130038,0.083923071,0.083923071,3.501937941,3.138534091,2.567751864,2.041006464,1.659361897,1.313956105,0.270913902,0.270913902,1.817972206,1.554948252,1.194524556,0.797810894,0.477387346,0.310536493,0.270913902,0.270913902,3.644395246,3.323954429,2.818980993,2.388946568,2.07751264,1.788595534,0.943918427,0.943918427,1.630252179,1.310615247,0.863599883,0.388551225,0.001127652,0.199760387,0.943918427,0.943918427,3.50828,3.149060357,2.608563528,2.073053743,1.660496792,1.377129417,0.399277246,0.399277246,1.794932539,1.525611378,1.126877317,0.73735501,0.44234488,0.272836964,0.399277246,0.399277246,3.686053217,3.384060709,2.933430125,2.500112275,2.174263588,1.966669794,1.207644823,1.207644823,1.584890736,1.251055494,0.75440536,0.265478066,0.10944005,0.349410085,1.207644823,1.207644823,4.845596545,3.377818408,2.90835376,2.70175833,2.045277422,1.545186944,0.590163934,0.590163934,1.726597177,1.318972258,0.98966734,0.566581485,0.20556535,0.465359415,0.590163934,0.590163934,0,0,0,1,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.144337567,0,0,0,0.288675135,0.204124145,0.204124145,0.102062073,0.072168784,0.072168784,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,5.029568634,2.764784317,1.805568494,0.882392159,0.425722174,0.248945479,0,0,0.718509805,0.460797386,0.300928082,0.22059804,0.141907391,0.124472739,0,0,9.965765927,18.6576839,17.70196078,17.96,11.27156647,146.3240515,0.524513996,0.981983363,0.931682147,0.945263158,0.59324034,7.701265868,1.7656,30.206,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,2,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.20263889,0.307268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.217638889,0.802777778,0,0,0,0,0,0,0,0,0,0,3.720833333,0,2.935925926,0,0,0,0,0,0,0.307268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.20263889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.20263889,0.307268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.244722222,0.401388889,0,0,0,0,0,0,0,0,0,0,1.634583333,0,0.760416667,0,0,0,0,0,0,0.307268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.20263889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.20263889,0.307268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.08625,0,1.124583333,0,0,0,0,0,0,0.307268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.20263889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.16666667,2.452380952,0.559375,10.20263889,0.244722222,0.307268519,2.979191435,1.359398148,3.202638889,6.577777778,1.359398148,3.202638889,6.577777778,3.33333,0.47619,0,0.02381,0.48772,0.80952,0.42174,0.48772,0.80952,0.06598,0,-0.06598,0,0.58823,0.12606,0,0.4,0.15,0,4.75,0.67857,3.25,0.46429,1.5,0.21429,-1.75,-0.25,0,0,5.22643,0.74663,7.02591,1.79948,0.25707,2.52767,0.3611,3.27005,0.74238,0.10605,0.14395,0.02056,0.14395,0.02056,0,6.01,1,1,1,1,0,0,0.833333333,1.167436723,1.878477513,3.115834092,3.326360408,3.431623566,2.984473301,22.18129774,35.69107275,59.20084775,63.20084775,65.20084775,56.70499272,0.27482501,0.44221035,0.733495118,0.783054889,0.807834775,0.702571617,3.08049079,2.36945,1.132093421,0.921567105,0.816303948,1.263454212,0.27482501,0.44221035,0.733495118,0.783054889,0.807834775,0.702571617,10.29981851,18.83230798,20.07934692,20.29152061,21.5546785,16.18887533,25.71846446,16.28162645,16.35662428,15.83118111,14.41143742,11.72853583,7,4.166666667,6,7,1,6,2.01,0.9697,0.2,2.620741394,1,0,2.381101578,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,3.388,6,4,3,2,0,0,0,0,0,28,2.079441542,2.197224577,1.791759469,1.609437912,1.386294361,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,17.07,118.4861345,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,100.088815,5.267832369,12.67036528,1.810052182,2.364829225,2.364829225,0,52,4,1.576,24,1.230611111,2.122014227,2.892442979,3.604171828,4.929108346,5.975406149,7.109033894,0,0,0,82.68712511,86.12799246,76.83382943,90.54532429,108.092015,51.91548963,7.223233415,0,0,0,283.9634567,322.4128211,340.7988159,401.264635,481.5965259,464.5698415,220.9753927,0,0,0,9.132995542,15.45325101,21.41266352,25.92652432,35.7935211,44.1409829,47.76178829,0,0,0,2.091655824,2.569791104,2.850683446,3.463711274,4.220232728,4.549703525,3.16076821,0,0,0,177.3517926,332.8143648,478.6761505,596.2385286,833.12523,1019.816766,1314.585856,0,0,0,3.205074074,4.962398765,7.110390216,7.461120859,11.95449824,15.03327017,7.109033894,0,0,0,0.447387083,0.573018811,0.656611979,0.782890039,0.988823077,1.090308014,0.727965071,0,0,0,339.4954902,160.5571479,9.677994249,178.4113168,-84.37582534,-19.53829559,161.0841734,244.9329733,29.21628984,0.655514632,0.310011658,0.018686749,0.344485368,-0.162917004,-0.037725505,175.8270253,83.15363982,5.012299099,92.40043539,-43.69881428,-10.11901628,0.273980634,0.633243404,1.344146146,24.61648261,479.0331567,38.87365025,0.924940839,0.075059161,444.2955983,21.07832058,7.630576257,560.5400313,23.67572663,8.245219299,695.1187138,26.36510409,8.858353222,1.952828468,1.948754058,511.818884,461.1520133,67.39626694,1.109870215,7.594172604,6.842396979,3.973682534,4.458137907,7.652561919,0.716537729,3.360021677,4.829738104,1.955541013,13.95941539,4.835341143,0.161411621,3.114097846,10.53783871,5.802769275,0.692808679,2.013153692,1.083168243,4.059596441,1.434325068,1.14E-05,1.29E-31,2.82E-79,1.19E-148,9.65E-240,0,0,0,0,0,0,0,0,0,0,0,0.298477101,4.829556012,0.130851781,4.34964752,0.123118735,0.00302845,0.508386009,0.486357397,2.878991124,0.057880894,0.01537439,0.063930421,0.215984827,0.010102069,8.06E-08,9.12E-34,1.99E-81,8.37E-151,6.80E-242,0,0,0,0,0,0,0,0,0,0,0,0.916142542,4.829450735,0.444319117,4.860941591,0.476136792,0.016274972,1.010310896,1.625373473,2.595719665,0.181962293,0.150728781,0.159181276,0.779399646,0.105271345,8.40E-07,9.50E-33,2.07E-80,8.73E-150,7.08E-241,0,0,0,0,0,0,0,0,0,0,0,3.176697216,4.829776581,1.822966728,13.43283568,4.581162007,0.145504455,2.969129174,10.07984453,5.816836074,0.663725839,1.79456804,0.98086728,3.746058366,1.277957813,1.02E-05,1.15E-31,2.52E-79,1.06E-148,8.60E-240,0,0,0,0,0,0,0,0,0,0,0,1.34265012,4.829425913,0.677020199,5.578720215,0.835946724,0.030897524,1.365057033,2.55651773,2.688563984,0.265802958,0.324512711,0.25805986,1.231829751,0.228663428,1.82E-06,2.06E-32,4.50E-80,1.90E-149,1.54E-240,0,0,0,0,0,0,0,0,0,0,0,4.057735794,4.829893228,2.470100985,18.34980749,7.009783078,0.230111529,3.723324128,14.50192555,7.316414044,0.849198103,2.932286377,1.507250601,5.309316693,2.091828312,1.67E-05,1.89E-31,4.12E-79,1.73E-148,1.41E-239,0,0,0,0,0,0,0,0,0,0,0,2.093622362,4.493821765,1.003938227,10.88417381,3.251196298,0.063188703,2.059666466,7.178299155,7.803379994,0.459088122,0.70687951,0.494211316,2.262886226,0.499566054,3.99E-06,4.51E-32,9.84E-80,4.14E-149,3.36E-240,0,0,0,0,0,0,0,0,0,0,0,5.8524549,0.76881434,0.436829068,0.829182967,0.108926556,0.554273594,0.480220173,0.526296249,7.058098309,7.391814126,16.41540353,0.743774451,1.560790016,4.645345774,0.64309977,0.083527025,0.864737434,0.119713897,0.361783945,0.285309404,0.019242489,5.371972568,3.429148919,9.050651857,0.797106151,0.666335838,5.168951884,0.598754453,0.225624232,0.862450657,0.099903459,0.434258652,0.288950763,0.140403746,5.993330569,4.396267269,11.08788971,0.793675985,0.863613161,5.770495638,0.804029406,0.419896123,0.825014036,0.114952958,0.539312087,0.525907103,0.486285078,6.994421167,7.400265755,16.3428572,0.737521054,1.551504268,5.422760992,0.592306446,0.294005474,0.859517883,0.093881693,0.476209142,0.285415424,0.238406475,6.309072911,4.980399039,12.2337988,0.789276824,1.00003104,5.925774201,0.80348325,0.461872524,0.824039368,0.111732545,0.568222356,0.524353378,0.588371286,7.191129975,7.869319439,17.25954473,0.736059052,1.68094702,5.78521114,0.810814731,0.419380696,0.824643744,0.1155763,0.542132314,0.534775928,0.48509197,7.015406567,7.456980334,16.43959036,0.736965617,1.562000212 +UMLKV0212,L,METHYL ISOBUTYL KETONE,CC(C)CC(=O)C,C6H12O,Ketone,Ketones,108-10-1,2.603368154,PubChem,,0.6432,0,0.3538,0.12517444,29.5874,19.363516,0,0,19,7,12,0,6,0,1,0,0,0,0,0,0,0,1133.745495,1058.76965,1309.522631,980.07576,837.48782,245.0952,18.289152,0,0,3130.497121,3797.153407,4869.666819,4756.223876,3521.133702,1962.172413,559.5073998,0,0,139.21638,133.148048,238.8371,290.346888,297.194816,162.393984,120.932352,0,0,22.71195886,28.64637172,38.88601801,40.43475799,31.93123952,17.90497835,8.003032287,0,0,3165.229247,2624.785681,5239.795721,6307.685046,7269.461727,3503.329189,3328.517736,0,0,79.80555556,47.16666667,74.22222222,100.8333333,86,69,18,0,0,59.67081553,58.82053611,39.68250397,25.13014769,19.94018619,11.6712,1.016064,0,0,164.7630063,210.9529671,147.5656612,121.9544584,83.83651671,93.43678159,31.08374443,0,0,7.327177895,7.397113778,7.237487879,7.444792,7.076067048,7.733046857,6.718464,0,0,1.195366256,1.591465096,1.178364182,1.036788666,0.760267608,0.852618017,0.444612905,0,0,166.591013,145.8214267,158.7816885,161.735514,173.0824221,166.8251995,184.917652,0,0,4.200292398,2.62037037,2.249158249,2.585470085,2.047619048,3.285714286,1,0,0,0.125470344,-0.043792832,0.013412093,-0.058230479,0.064354802,-0.051443097,0.012964341,0,0,605.7336044,-45.41908671,93.72540758,-506.8584002,393.1711269,-564.6998261,327.2139763,0,0,916.6964704,-95.75164029,10.66748546,-682.2312297,472.4295577,-653.740033,490.2776246,0,0,1.062550737,-0.002447645,0.133494404,-0.472055934,0.242835845,-0.629765551,0.196663512,0,0,4.063287563,-0.461433045,-0.420527699,-2.439619519,1.360197496,-1.958876983,1.888615969,0,0,22.47243353,-2.562605463,-3.059085009,-12.35129549,6.135287904,-9.184291683,9.785772976,0,0,34.00292398,-1.564173592,5.497845491,-16.56740536,10.24792244,-20.11288089,5.497229917,0,0,0.006603702,-0.002432935,4.06E-04,-0.001493089,0.001532257,-0.002449671,7.20E-04,0,0,31.88071602,-2.523282595,2.840163866,-12.99636924,9.361217307,-26.89046791,18.17855424,0,0,48.24718265,-5.319535572,0.323257135,-17.49310845,11.2483228,-31.13047776,27.23764581,0,0,0.055923723,-1.36E-04,0.004045285,-0.012103998,0.005781806,-0.029988836,0.010925751,0,0,0.21385724,-0.025635169,-0.012743264,-0.062554347,0.032385655,-0.093279856,0.104923109,0,0,1.18275966,-0.14236697,-0.092699546,-0.316699884,0.146078283,-0.437347223,0.543654054,0,0,1.789627578,-0.086898533,0.166601379,-0.424805266,0.243998153,-0.957756233,0.305401662,0,0,-0.368419868,0.061545334,-0.226098805,0.232030022,-0.370954229,0.109066271,0,0,-0.079147614,0.089087204,-0.407656128,0.293632593,-0.843471266,0.570205331,0,0,-0.11025588,0.006700021,-0.362572641,0.233139474,-0.645228924,0.564543758,0,0,-0.002431532,0.07233576,-0.216437634,0.103387356,-0.536245339,0.195368801,0,0,-0.119870476,-0.059587712,-0.292505162,0.151435858,-0.436178154,0.490622199,0,0,-0.12036847,-0.07837564,-0.267763515,0.123506312,-0.369768464,0.459648797,0,0,-0.048556769,0.093092764,-0.237370764,0.136340184,-0.535170694,0.170650959,0,0,1.096744496,0.696126185,1.45559027,0.535739388,2.330603395,0.004149381,0,0,1.212328523,0.88646729,1.448849684,0.519039504,1.98189853,0,0,0,1.492302918,1.092143786,1.360526189,0.561866633,1.497089647,0,0,0,0.521883785,0.520629855,1.517126323,0.607822807,2.844229627,0,0,0,1.578834284,1.181956255,1.305469784,0.611189036,1.285388827,0,0,0,1.583316226,1.196478905,1.292177878,0.627316015,1.251156866,0,0,0,0.575113939,0.49305029,1.543796345,0.567178114,2.873702443,0,0,0,25.96314285,13.10657143,20.3329338,26.14171428,3.734530612,13.10657758,0.25,0.068013005,0.009716144,-1.881639444,30.58368688,4.369098126,2.394326731,25.96489984,13.10708271,20.3336424,26.14294669,3.734706669,13.10708887,0.249265579,0.067988311,0.009712616,-1.881893637,30.58985987,4.369979981,2.394468004,27.529989,13.56549726,20.9960364,27.24499295,3.89214185,13.56550072,-0.398994478,0.043721061,0.006245866,-2.190947737,42.43781807,6.062545438,2.62362793,25.96674386,13.10761933,20.33438618,26.14424015,3.734891449,13.10762548,0.2484948,0.067962389,0.009708913,-1.882160577,30.59634635,4.370906621,2.394616421,29.20510565,14.06140569,21.78952822,28.43203832,4.06171976,14.06140769,-1.082294264,0.011852043,0.001693149,-3.104678512,44.57674377,6.368106254,2.658048598,26.14724822,13.1601912,20.40757667,26.27091549,3.752987928,13.16019692,0.173134186,0.065397108,0.009342444,-1.909094066,31.27221929,4.467459899,2.409911099,31.41061657,15.75768821,25.20461995,31.66597371,4.52371053,15.75768869,0.595833333,0.12474119,0.01782017,-1.457059919,21.30881147,3.044115924,2.14138447,0,11.89,15.99491614,-0.299487967,0.191284835,4.115246849,7.408132304,6,18,17,17,5,1,1,0,0,1,14.076484,3.558319352,3.12344078,2.333552793,2.229348518,1.89666642,1.013391022,0.083923071,0.083923071,1.874120128,1.556280499,1.249629723,1.109819166,0.41216828,0.201056763,0.083923071,0.083923071,3.533611473,3.093119753,2.405454588,2.288511769,1.729416719,1.115994053,0.270913902,0.270913902,1.833592029,1.512587495,1.134540686,1.002392129,0.406186076,0.207441325,0.270913902,0.270913902,3.667227493,3.284656791,2.704236987,2.585130525,2.145438227,1.598055479,0.943918427,0.943918427,1.655083163,1.260910823,0.76031856,0.631552381,0.036015662,0.337358679,0.943918427,0.943918427,3.540248905,3.09902604,2.457539916,2.336772788,1.693370082,1.192937891,0.399277246,0.399277246,1.811391263,1.485681914,1.058262671,0.931617153,0.443273648,0.113043226,0.399277246,0.399277246,3.707514721,3.34080596,2.838982085,2.713698371,2.190780519,1.795321321,1.207644823,1.207644823,1.612039294,1.203442543,0.631337262,0.507329386,0.089166256,0.525489439,1.207644823,1.207644823,4.737007632,3.397884332,2.812841976,2.612600818,2.360692296,1.298914343,0.571428571,0.571428571,1.759900725,1.268935406,0.898315104,0.820812075,0.046094333,0.431259103,0.571428571,0.571428571,0,0,0,1,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.552585858,0,0,0,0.471404521,0.942809042,0.23570226,0.287457479,0.454124145,0.083333333,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,5.192705341,2.620626365,2.299986098,0.695705769,0.574914957,0,0,0,0.741815049,0.436771061,0.328569443,0.173926442,0.143728739,0,0,0,9.965765927,18.6576839,17.70196078,17.96,11.27156647,146.3240515,0.524513996,0.981983363,0.931682147,0.945263158,0.59324034,7.701265868,1.6215,30.136,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,38,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,2,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.238541667,0.802777778,0,0,0,0,0,0,0,0,0,0,5.711111111,0,0.722222222,0,0,0,0.525462963,0,0,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.265625,0.401388889,0,0,0,0,0,0,0,0,0,0,1.625,0,0.722222222,0,0,0,0.525462963,0,0,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.043055556,0,0.722222222,0,0,0,0.525462963,0,0,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.5,2.5,0.544097222,10.25416667,0.265625,0.287037037,2.998160648,1.37962963,3.254166667,6.680555556,1.37962963,3.254166667,6.680555556,3.33333,0.47619,0,0.02381,0.48772,0.80952,0.42174,0.48772,0.80952,0.06598,0,-0.06598,0,0.58823,0.12606,0,0.55,0.3,0,4.75,0.67857,3.25,0.46429,1.5,0.21429,-1.75,-0.25,0,0,5.60639,0.80091,7.47656,1.87016,0.26717,2.3835,0.3405,3.12588,0.74238,0.10605,0.28812,0.04116,0.28812,0.04116,0,6.01,1,1,1,1,0,0,0.833333333,1.167436723,1.878477513,2.970840013,2.970840013,2.747264881,1.95822751,22.18129774,35.69107275,56.44596025,56.44596025,52.19803274,37.20632268,0.27482501,0.44221035,0.699362219,0.699362219,0.64673064,0.46098421,3.08049079,2.36945,1.2770875,1.2770875,1.500662633,2.289700004,0.27482501,0.44221035,0.699362219,0.699362219,0.64673064,0.46098421,10.29981851,18.83230798,19.93321825,19.93321825,17.25031667,11.53995111,25.71846446,16.28162645,16.57668442,16.57668442,15.23523362,11.86855782,7,3.06122449,6,7,1,5,2.01,0.9697,0.944940787,1.5,3.464101615,0,0,2,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.437,0.423,0.559,0.164,3.16,7,4,4,0,0,0,0,0,0,28,2.079441542,2.302585093,1.791759469,1.945910149,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,2.5,0.444444444,0.5,0,0,0,0,0,0,0,0.416666667,0.063492063,0.125,0,0,0,0,0,0,0,0.60515873,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,17.07,118.4861345,3.807354922,3.295836866,3.891820298,4.65396035,5.262690189,6.033086222,6.64509097,7.417580402,8.030409562,8.803424212,67.03389907,2.564949357,0,3.713572067,0,4.976733742,0,6.300785795,0,7.655864018,7.958576904,100.088815,5.267832369,12.50916243,1.787023205,2.353722019,2.353722019,0,48,4,1.515,26,1.230611111,2.12103616,2.929552435,3.507444006,4.615717238,5.388940886,0,0,0,0,82.68712511,95.45405843,78.80940754,77.95564844,52.9907806,5.475508833,0,0,0,0,283.9634567,340.8787932,373.4421494,322.2767485,439.4380452,167.5084613,0,0,0,0,9.132995542,15.455765,21.83800757,24.83366863,35.14336204,36.20540534,0,0,0,0,2.091655824,2.657436263,3.138460391,2.86015175,4.075136547,2.395992661,0,0,0,0,177.3517926,332.4642362,471.3368965,600.6746053,762.3096694,996.5102956,0,0,0,0,3.273416667,5.07003966,7.632776413,7.223760541,13.99792761,5.388940886,0,0,0,0,0.447387083,0.589369519,0.716756691,0.658597777,0.979669877,0.551827547,0,0,0,0,355.83439,167.2699736,11.24322526,140.0132906,-65.81718933,-14.85114539,215.8210994,233.0871629,26.09437066,0.717628425,0.337341446,0.022674756,0.282371575,-0.132736709,-0.029951023,176.4396569,82.94042842,5.574927169,69.42526537,-32.63530067,-7.363905996,0.276179363,0.637060715,4.577241911,19.95704248,464.5209294,31.32675112,0.936821826,0.063178174,444.2955983,21.07832058,7.630576257,560.5400313,23.67572663,8.245219299,743.2474783,27.26256551,9.058253729,1.466071549,1.466071549,367.0943366,306.9940536,100.7031294,1.195770186,3.645312104,3.048505596,3.756230434,3.285516602,6.459306918,0.965994302,3.360021677,4.829722797,2.101725945,12.87919841,3.042241378,2.214508117,3.802837146,7.969001903,3.498671088,2.673250347,1.003391444,1.694936254,4.02E-13,1.84E-47,1.62E-103,2.77E-181,9.08E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,0.298477101,4.829555905,0.129848944,5.551998594,0.329112994,0.090083741,0.372205781,0.447445512,0.97387853,0.024129653,0.007115375,0.011937575,2.83E-15,1.30E-49,1.14E-105,1.95E-183,6.40E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0.916142542,4.829449611,0.449826549,6.183564631,0.554572165,0.353472511,0.794755283,1.469626846,1.424141986,0.209822625,0.073767622,0.124398731,2.95E-14,1.35E-48,1.19E-104,2.03E-182,6.67E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,3.176697216,4.829762943,1.951815445,12.77726947,3.009705819,2.024819367,3.524945416,7.577750203,3.321110088,2.385468488,0.894037043,1.510157687,3.58E-13,1.64E-47,1.45E-103,2.46E-181,8.09E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,1.34265012,4.829423473,0.69398442,6.794772901,0.743532422,0.584680653,1.167252271,2.260111378,1.752554453,0.442716437,0.160114014,0.270210668,6.41E-14,2.93E-48,2.59E-104,4.41E-182,1.45E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,4.057735794,4.829870904,2.689927216,15.74552918,4.283438225,2.987587618,5.024435039,10.61666451,4.182389049,3.881391619,1.46319423,2.471905233,5.86E-13,2.68E-47,2.37E-103,4.03E-181,1.32E-280,0,0,0,0,0,0,0,0,0,0,0,0,0,2.084230024,4.161406128,0.946587482,12.00817543,2.641026798,1.03801432,1.888819403,4.831243806,2.6402297,0.895415995,0.327843621,0.553448573,1.31E-13,6.01E-48,5.30E-104,9.03E-182,2.97E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,3.924806068,1.232696033,0.529937156,0.690083162,0.216740079,0.522499441,0.490918306,0.476750056,5.687439257,7.571244867,15.8225693,0.535124743,1.490167803,2.930015442,0.840431796,0.216448864,0.734911411,0.21079852,0.296286177,0.203321099,0.063473948,3.986896102,3.278587162,7.79848386,0.602367117,0.563081223,3.361835515,0.945508354,0.331191239,0.724762331,0.203837706,0.382598752,0.281140806,0.180092011,4.638535107,4.605198113,10.29647212,0.587143496,0.843831569,3.858519066,1.230832302,0.526333811,0.687096755,0.219177583,0.504330786,0.483979923,0.464971085,5.615685179,7.427887604,15.543232,0.530645133,1.453281794,3.570405547,1.011055144,0.380178704,0.719601983,0.203774411,0.432081918,0.329311255,0.244425645,4.961639395,5.351650682,11.68568839,0.579402974,1.005818819,3.985298075,1.273170897,0.557199472,0.685269133,0.218920819,0.538747757,0.523543854,0.527133865,5.815668444,8.003981659,16.64686101,0.5279037,1.589425476,3.865712136,1.23474495,0.526953369,0.68694334,0.219416188,0.506166524,0.486548254,0.465277809,5.627410454,7.460871582,15.60351928,0.530415011,1.457992587 +UMLKV0213,L,FURFURAL,C1=COC(=C1)C=O,C5H402,Miscellaneous - Doesn't fit in other categories,Cyclic Ethers,98-01-1,2.680009809,PubChem,,1.1596,0,-0.3787,0.14341369,27.1196,13.071172,5,5,11,7,4,0,5,0,2,0,0,0,0,0,0,0,1237.320863,1201.976803,1450.608952,859.715864,450.91545,34.286112,0,0,0,2674.70104,3061.202579,3757.432575,2362.782162,1208.586589,226.1947501,0,0,0,91.279868,88.734244,131.945728,123.022856,71.446392,32.379264,0,0,0,17.00935962,19.62779724,24.26376183,16.73513963,8.556851036,1.958761782,0,0,0,1744.54496,1579.6976,2409.654578,2436.506747,1474.196428,740.2038574,0,0,0,84.02777778,49.5,69.16666667,70.33333333,45,16,0,0,0,112.4837148,109.2706185,90.6630595,57.31439093,50.10171667,8.571528,0,0,0,243.15464,278.2911435,234.8395359,157.5188108,134.2873988,56.54868753,0,0,0,8.298169818,8.066749455,8.246608,8.201523733,7.938488,8.094816,0,0,0,1.54630542,1.784345204,1.516485115,1.115675975,0.950761226,0.489690445,0,0,0,158.5949964,143.6088728,150.6034111,162.4337831,163.7996032,185.0509644,0,0,0,7.638888889,4.5,4.322916667,4.688888889,5,4,0,0,0,0.26368915,-0.067138822,-0.119244807,0.064100502,0.018716327,-0.028277775,0,0,0,398.018388,13.064688,-126.023608,-102.828726,9.62325,7.155202,0,0,0,501.3284632,-38.28681862,-155.7603765,-114.9261836,-74.45389485,132.7630419,0,0,0,1.612882909,-0.099054545,-0.54917805,0.254985124,-0.131256198,-0.281937785,0,0,0,2.528088469,-0.453634791,-0.804496778,-0.062056817,-0.737751254,0.793895406,0,0,0,14.99374362,-3.015363342,-4.818964596,0.599539083,-4.79146993,4.529386973,0,0,0,30.93434343,-0.664141414,-8.126721763,5.78902663,-3.832644628,-8.632690542,0,0,0,0.023971741,-0.006103529,-0.0074528,0.004273367,0.002079592,-0.007069444,0,0,0,36.18348982,1.187698909,-7.8764755,-6.8552484,1.06925,1.7888005,0,0,0,45.57531484,-3.480619875,-9.735023529,-7.661745575,-8.272654983,33.19076048,0,0,0,0.146625719,-0.009004959,-0.034323628,0.016999008,-0.014584022,-0.070484446,0,0,0,0.229826224,-0.041239526,-0.050281049,-0.004137121,-0.081972362,0.198473851,0,0,0,1.363067602,-0.27412394,-0.301185287,0.039969272,-0.532385548,1.132346743,0,0,0,2.812213039,-0.060376492,-0.50792011,0.385935109,-0.425849403,-2.158172635,0,0,0,-0.254613518,-0.310899423,0.178266852,0.08675181,-0.2949074,0,0,0,0.032824333,-0.217681477,-0.189457911,0.02955077,0.049436926,0,0,0,-0.076370726,-0.21360299,-0.168111742,-0.181516135,0.728261793,0,0,0,-0.061414592,-0.234090092,0.115934697,-0.099464283,-0.480709979,0,0,0,-0.179437863,-0.218778552,-0.018001084,-0.356671054,0.863582265,0,0,0,-0.201108103,-0.220961372,0.02932303,-0.390578976,0.830734104,0,0,0,-0.021469388,-0.180612245,0.137235374,-0.151428571,-0.767428571,0,0,0,1.024501721,1.201363223,0.823115847,0.760977525,1.328283516,0,0,0,0.607528428,0.973159179,1.186285595,1.034014769,1.411555897,0,0,0,0.910177795,1.031916835,1.087480601,1.166738133,0.416130672,0,0,0,0.723790353,1.103582901,0.899071672,0.989131526,1.748180221,0,0,0,1.130205187,1.123477739,0.902765415,1.219811846,0.018077822,0,0,0,1.168505736,1.147107308,0.852836033,1.222213676,6.41E-05,0,0,0,0.511836735,0.833979592,0.656108844,1.616326531,2.909387755,0,0,0,16.24604489,8.373022445,12.88999048,16.60318775,2.371883964,8.373951691,0.5,0.168130184,0.024018598,-1.248111687,60.41020121,8.630028744,2.870810589,16.25166653,8.375098844,12.89339608,16.60776021,2.372537173,8.376025826,0.498531158,0.168140788,0.024020113,-1.248067539,60.49845184,8.642635978,2.871832443,21.35439476,10.2782029,16.15551705,20.78440265,2.969200379,10.27831638,-0.797988956,0.148029258,0.021147037,-1.337241735,43.78432394,6.25490342,2.645493097,16.25756694,8.377278269,12.89697117,16.61255951,2.373222787,8.378202882,0.4969896,0.168151781,0.024021683,-1.248021776,60.59167305,8.655953293,2.872910233,27.08243492,12.39122489,19.94339263,26.15475412,3.736393446,12.39123837,-2.164588529,0.109138257,0.01559118,-1.550597854,35.20845127,5.029778753,2.492900303,16.83671405,8.591491211,13.25077378,17.0840486,2.440578372,8.592211697,0.346268372,0.168595139,0.02408502,-1.246178546,74.18668987,10.59809855,3.014609327,15.64652546,8.123162015,12.58898942,16.05549227,2.293641753,8.124574383,1.144761905,0.175952998,0.025136143,-1.216276862,50.74862744,7.24980392,2.7488192,0,11.98873999,16.00602406,-0.375535071,0.253513102,3.490489213,6.534507881,7,11,8,5,1,3,1,0,0,6,7.246828,3.809585415,2.996588859,2.183383889,1.950141804,0.651906049,0.522830197,0.034549846,0.277656235,1.610465383,1.424851992,0.83626222,0.277656235,0.034549846,0.522830197,0.651906049,1.950141804,3.713007743,2.854505578,2.089532608,1.778385042,0.742580945,0.414252935,0.06502802,0.12103749,1.623996996,1.500186066,0.898818502,0.12103749,0.06502802,0.414252935,0.742580945,1.778385042,3.85248421,3.076055899,2.347686921,2.084462854,1.297325763,1.061338537,0.607307066,0.436690855,1.482373263,1.285301855,0.558677715,0.436690855,0.607307066,1.061338537,1.297325763,2.084462854,3.689690079,2.824668653,2.087790033,1.719290054,0.823214942,0.424113891,0.113091882,0.017567334,1.658735125,1.50586308,0.942105971,0.017567334,0.113091882,0.424113891,0.823214942,1.719290054,3.84931868,3.081433991,2.408261522,2.118279457,1.500162658,1.208173581,0.743477086,0.630573662,1.468450156,1.277475662,0.54440338,0.630573662,0.743477086,1.208173581,1.500162658,2.118279457,4.464007999,3.802711864,2.414694433,2.250504558,1.3131496,0.971683839,0.36888196,0.101446333,1.50030342,1.227082933,0.459694232,0.101446333,0.36888196,0.971683839,1.3131496,2.250504558,0,0,2,3,0,0,0,0,0,0,0,0.144337567,0.102062073,0.102062073,0,0,0.03928371,0.022680461,0.009259259,0.204124145,0,0,0,0.068041382,0,0,0,0.49279928,0.594861352,0.204124145,0.106345198,0.100116397,0.018518519,5.112884175,3.431851653,2.558730745,2.052095141,1.418611262,0.49279928,0.204124145,0,0.730412025,0.490264522,0.319841343,0.228010571,0.157623474,0.12319982,0.102062073,0,3.625897658,1.919545602,1.133270707,0.659336941,0.358319304,0.084078889,0.018518519,0,0.51798538,0.2742208,0.141658838,0.07325966,0.039813256,0.021019722,0.009259259,0,7.513253816,11.43699927,11.14901961,11.32,7.557588024,82.59363593,0.683023074,1.039727207,1.013547237,1.029090909,0.687053457,7.508512357,1.01819,26.2585,22.87726984,33.16178179,45.75453968,6.536362811,22.87726984,0.106509552,0.01521565,-1.567664427,23.73191568,3.390273668,2.216774557,44,0,0,2,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,3,0,0,0,1,4,0,0,0,0,0,0,0,0,0,0,0,0,1,3,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.38842593,5.778240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.783333333,1.846666667,0,0,0,0.783333333,2.63,0,0,0,0,0,0,0,0,0,0,0,0,0.666666667,4.736574074,0,0,0,0,0.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.773842593,0,4.614583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.614583333,0.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.783333333,0.573333333,0,0,0,0.783333333,0.573333333,0,0,0,0,0,0,0,0,0,0,0,0,0.666666667,1.462037037,0,0,0,0,0.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.773842593,0,4.614583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.773842593,1.67037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.783333333,0.6775,0,0,0,0.783333333,0.783333333,0,0,0,0,0,0,0,0,0,0,0,0,0.666666667,1.67037037,0,0,0,0,0.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.773842593,0,4.614583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.16666667,2.880952381,0.783333333,9.773842593,0.390625,0.375,1.677902315,1.333333333,2.773842593,7.776851852,1.333333333,2.773842593,7.776851852,3.16666,0.45238,0,0.04762,0.69394,0.91905,0.43333,0.58889,0.91905,0.26061,0.10505,-0.15556,0,0.49223,0.22206,0,0.10526,0.1579,0,10.75,1.53571,4.25,0.60714,6.5,0.92857,2.25,0.32143,0,0,1.88752,0.26965,6.53706,4.64954,0.66422,1.02943,0.14706,3.43185,2.40242,0.3432,-0.01785,-0.00255,0.06815,0.00974,0.454545455,7.02,1,2,2,2,0,0,0,1.494918848,2.55034071,3.277613437,3.459431619,3.459431619,3.459431619,16.44410733,28.05374781,36.05374781,38.05374781,38.05374781,38.05374781,0.432128457,0.737213794,0.947442759,1,1,1,1.96451277,0.909090909,0.181818182,-4.44E-16,-4.44E-16,-4.44E-16,0.387487354,0.661055799,0.849567025,0.896694832,0.896694832,0.896694832,13.89185598,27.28326643,30.01480736,30.19804827,30.19804827,30.19804827,24.78893148,18.18163089,15.99004038,15.72468918,15.72468918,15.72468918,5.142857143,2.34375,1.185185185,1,7,0,1.79,0.6929,0,0,0,0,3.301927249,2.828427125,0,0,0,0,0,0.333333333,0,0,0,0,0,0,0,0.003,0.496,0.511,0.948,0.534,3.182,8,9,9,4,2,0,0,0,0,46,2.442347035,2.847812143,3.345508476,3.739156607,3.203762187,3.056356895,0,0,0,0,4.990857666,3.175271739,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0.142857143,1,0.142857143,0,2,4,1,1,0.444444444,0.222222222,0.125,0,0,0,0,0,0,0.142857143,0.055555556,0.055555556,0.0625,0,0,0,0,0,0,0.316468254,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,30.21,81.45100043,3.807354922,3.433987204,4.17438727,4.934473933,5.693732139,6.459904454,7.22329568,7.990576882,8.755107122,9.522446728,72.18791141,2.708050201,0,3.850147602,2.397895273,5.176149733,4.442651256,6.577861358,6.259581464,8.017966703,8.436416881,96.02112937,8.729193579,13.58523637,1.940748052,5.383752169,5.383752169,0,43,4,0.418,30,1.389143842,2.466434034,3.584134704,4.667015732,5.544356075,0,0,0,0,0,167.5251927,241.4519832,222.2575304,232.4655742,47.67864878,0,0,0,0,0,413.4859815,611.7650119,596.2131788,626.2413441,314.0486245,0,0,0,0,0,11.35536145,20.37930103,29.6799413,37.04101396,44.90878634,0,0,0,0,0,2.591013278,3.900435878,4.159633996,4.442902664,2.715943231,0,0,0,0,0,197.8882604,367.8146035,577.1719696,764.1119464,1025.991174,0,0,0,0,0,6.357600885,10.77512304,17.82590888,23.27040041,22.23898721,0,0,0,0,0,0.617173262,0.964150184,1.06408648,1.207923541,0.852663767,0,0,0,0,0,240.9659488,161.8245727,25.30390213,144.8476372,-97.27476891,-31.32700227,96.11831169,259.0993416,56.6309044,0.624565743,0.419437206,0.065585824,0.375434257,-0.252128936,-0.08119725,92.96793683,62.43411869,9.762589221,55.88418631,-37.52992742,-12.08638308,0.257746358,0.468277871,12.40994209,18.35036642,286.8495313,98.96405467,0.743492562,0.256507438,542.5388239,23.29246281,8.155994806,581.9239051,24.12309899,8.348761718,801.9054592,28.31793529,9.290542122,2.332159795,2.332159795,375.3690472,302.4839615,95.74618071,1.240955207,3.920459745,3.159227442,3.807590242,3.654563149,5.76793966,0.578284305,1.37382951,0.920949208,3.733556944,3.621859703,2.11909428,1.015672407,2.979887458,0.560985241,1.835036376,1.105525613,0.004587369,5.32E-24,1.19E-66,5.13E-131,4.27E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.131824097,0.997270252,1.509625223,2.155279844,2.514586241,0.232326026,2.964645377,0.534904608,0.077426677,0.122686151,3.27E-05,3.74E-26,8.38E-69,3.61E-133,3.01E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.378082479,0.855391158,1.341697588,1.815383579,1.405125924,0.362081467,1.898105948,0.324331426,0.300363206,0.213052628,3.37E-04,3.90E-25,8.73E-68,3.77E-132,3.13E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.301896116,0.996956797,4.407046364,3.677361045,2.724410626,1.061806895,3.788952191,0.684570136,1.679457575,1.385450454,0.004088521,4.74E-24,1.06E-66,4.57E-131,3.80E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.549630866,0.80147433,1.274038745,1.79100134,0.997630375,0.433545037,1.574227328,0.252917404,0.493714548,0.211705879,7.31E-04,8.48E-25,1.90E-67,8.18E-132,6.81E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.65911349,0.969079769,4.93422325,4.565796744,2.56244223,1.271792577,3.702807572,0.681426647,2.465919724,1.614611887,0.006690253,7.75E-24,1.73E-66,7.48E-131,6.23E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.777550986,1.151052175,4.489832677,2.952185261,3.616463241,0.725879046,7.975330919,1.571205112,0.715662263,2.056629122,0.00123283,1.42E-24,3.18E-67,1.37E-131,1.14E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.735163849,1.334449107,0.212343845,0.707155319,0.252642942,0.58939241,0.407618169,0.341835752,5.281956801,6.060887171,12.40124767,0.560732979,1.338846331,3.211514573,0.90414996,0.121046325,0.75802071,0.213408465,0.456980189,0.183529102,0.066374593,4.236710858,3.40187684,7.990068794,0.637031065,0.706883884,3.120102517,0.970208395,0.145089665,0.736672355,0.229071224,0.413715087,0.214281432,0.16571471,4.235400578,3.620611496,8.295220204,0.605008532,0.793711228,3.747576298,1.324784684,0.224500691,0.70750881,0.250107472,0.593738586,0.405028145,0.420185655,5.296861674,6.103480229,12.5149276,0.561263215,1.418952386,3.169344554,1.029490495,0.143030115,0.729950018,0.237107892,0.424221833,0.239949005,0.15736007,4.341865164,3.863369953,8.671915219,0.594925027,0.821530908,3.85916194,1.400224954,0.228393416,0.703228213,0.255153245,0.629210434,0.449915278,0.397291224,5.48778031,6.604904188,13.32685282,0.554842319,1.476416935,3.822869501,1.296752297,0.228138298,0.714854337,0.242485129,0.617860709,0.386975463,0.431441859,5.347760096,6.125296612,12.60401007,0.572281506,1.436278031 +UMLKV0214,L,"1,2-PROPYLENE GLYCOL",CC(CO)O,C3H8O2,Miscellaneous - Doesn't fit in other categories,,57-55-6,2.271796133,PubChem,,19.4434,0,-0.9081,0.82464561,19.138,12.218344,0,0,13,5,8,0,3,0,2,0,0,0,0,0,0,0,952.856877,777.752732,882.165112,649.879158,104.934816,4.064256,0,0,0,1952.002215,2304.939767,2734.710825,2177.764949,897.8097027,124.3349777,0,0,0,103.072692,96.796928,156.988216,190.901376,135.09504,26.873856,0,0,0,13.21001124,16.00728183,20.21157437,17.65640963,9.122739098,1.778451619,0,0,0,2230.626856,1849.379209,3260.150709,4154.221872,3298.055755,739.6706081,0,0,0,88.02777778,44,67,105.3333333,44,4,0,0,0,73.29668285,64.81272767,44.1082556,27.07829825,5.829712,1.016064,0,0,0,150.1540165,192.0783139,136.7355412,90.74020622,49.87831681,31.08374443,0,0,0,7.928668615,8.066410667,7.8494108,7.954224,7.50528,6.718464,0,0,0,1.016154711,1.333940153,1.010578718,0.735683735,0.506818839,0.444612905,0,0,0,171.5866812,154.1149341,163.0075354,173.092578,183.2253197,184.917652,0,0,0,6.771367521,3.666666667,3.35,4.388888889,2.444444444,1,0,0,0,0.419616045,-0.20865554,-0.062694724,0.140964825,-0.139676156,0.060253573,0,0,0,507.4377212,-76.56268114,-96.76059143,-180.4163506,6.10677245,93.91399008,0,0,0,534.2235486,-45.603359,-179.1106822,-268.3396431,131.1563063,94.78560368,0,0,0,1.812420923,-0.363262391,-0.390648189,0.064067219,-0.374648663,0.158281562,0,0,0,2.228247828,-0.125834899,-1.061801682,-0.903328802,0.722199348,0.254642121,0,0,0,12.65892045,-0.715594219,-6.4132649,-4.332267854,3.980101677,1.151565072,0,0,0,40.58974359,-10.27087442,-7.744904668,3.159105851,-8.752465483,3.31426693,0,0,0,0.032278157,-0.017387962,-0.003134736,0.005873534,-0.007759786,0.015063393,0,0,0,39.03367086,-6.380223428,-4.838029572,-7.517347941,0.339265136,23.47849752,0,0,0,41.09411913,-3.800279916,-8.95553411,-11.18081846,7.286461462,23.69640092,0,0,0,0.139416994,-0.030271866,-0.019532409,0.002669467,-0.020813815,0.039570391,0,0,0,0.171403679,-0.010486242,-0.053090084,-0.0376387,0.040122186,0.06366053,0,0,0,0.973763112,-0.059632852,-0.320663245,-0.180511161,0.22111676,0.287891268,0,0,0,3.122287968,-0.855906202,-0.387245233,0.13162941,-0.486248082,0.828566732,0,0,0,-0.538691274,-0.097116331,0.181966223,-0.240403637,0.466674509,0,0,0,-0.163454353,-0.123945032,-0.192586241,0.008691602,0.601493454,0,0,0,-0.092477464,-0.21792739,-0.27207831,0.177311538,0.576637276,0,0,0,-0.217131822,-0.140100635,0.019147361,-0.149291804,0.283827598,0,0,0,-0.061178626,-0.309737133,-0.21959097,0.234080075,0.371407023,0,0,0,-0.061239588,-0.329303135,-0.185374819,0.227074488,0.295648156,0,0,0,-0.274127887,-0.124026111,0.042157998,-0.155734541,0.265371657,0,0,0,1.405030889,0.8829408,0.864672591,1.18183925,0.363891165,0,0,0,1.189963274,1.070966946,1.149309858,0.817648066,0,0,0,0,1.484918022,1.33642622,1.09324624,0.400808311,0,0,0,0,1.116438226,1.004794403,1.073323517,1.041504934,0,0,0,0,1.701326818,1.531194136,1.000169703,0.164229032,0,0,0,0,1.734753579,1.561278221,0.973554447,0.144004772,0,0,0,0,1.18393346,1.00107391,1.047746894,1.034744157,0,0,0,0,12.96114987,6.730574934,10.13727448,13.26114987,2.652229973,6.733381156,0.5,0.032735744,0.006547149,-1.709643858,11.9451324,2.38902648,1.240161933,12.96688558,6.73270837,10.14058492,13.26600428,2.653200856,6.735507451,0.498531158,0.032842228,0.006568446,-1.708020077,11.94501556,2.389003113,1.240157042,18.05828371,8.630147376,13.40324861,17.57949033,3.515898067,8.630482599,-0.797988956,0.077438454,0.015487691,-1.279135899,14.4616458,2.892329159,1.335750014,12.97290535,6.734947476,10.14406037,13.27109911,2.654219823,6.737739083,0.4969896,0.032953835,0.006590767,-1.706323817,11.94490263,2.388980527,1.240152315,23.46245853,10.648935,17.24471948,22.16370541,4.432741082,10.64897624,-2.164588529,0.073426211,0.014685242,-1.305737156,19.71813897,3.943627795,1.490769486,13.56196653,6.954117452,10.48939797,13.76972756,2.753945511,6.95627162,0.346268372,0.043117909,0.008623582,-1.571908427,11.98042758,2.396085517,1.241637142,10.9450024,6.14296344,9.59951139,11.73592688,2.347185376,6.149903117,1.375,0.015054192,0.003010838,-2.098049383,10.65237766,2.130475532,1.182891561,0,11.99654872,15.99825767,-0.417957899,0.094235388,3.7479361,5.832753856,4,12,12,12,4,0,0,0,0,0,8.745656,3.383307603,2.58486054,2.106982624,1.438088112,0.888911887,0.083923071,0.083923071,0.083923071,1.721484501,1.210013215,0.696880053,0.402078008,0.288021689,0.083923071,0.083923071,0.083923071,3.323963491,2.495801611,1.891585904,1.271231307,0.954636875,0.270913902,0.270913902,0.270913902,1.709973645,1.163849626,0.750540008,0.373908467,0.154779724,0.270913902,0.270913902,0.270913902,3.520751119,2.831236058,2.399991813,1.864219743,1.509976519,0.943918427,0.943918427,0.943918427,1.468891826,0.778349318,0.201310607,0.25667978,0.446614419,0.943918427,0.943918427,0.943918427,3.322020477,2.506898483,1.848343434,1.257521141,1.021005245,0.399277246,0.399277246,0.399277246,1.702909988,1.136802515,0.767793712,0.336232011,0.055185285,0.399277246,0.399277246,0.399277246,3.560794754,2.911076017,2.463765395,1.992139937,1.713738003,1.207644823,1.207644823,1.207644823,1.423408175,0.684866537,0.122034298,0.398171422,0.647619745,1.207644823,1.207644823,1.207644823,4.480807795,4.265323395,2.984448866,2.191552158,1.317225698,0.620689655,0.620689655,0.620689655,1.466288388,0.801290526,0.109573735,0.337782879,0.351735996,0.620689655,0.620689655,0.620689655,0,0,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.182574186,0,0,0,0.40824829,0,0,0.081649658,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.178884241,1.560025215,1.031595552,0.264223844,0,0,0,0,0.635776848,0.390006304,0.257898888,0.132111922,0,0,0,0,6.596909424,13.21267298,12.6,12.84,7.154697006,101.6793677,0.507454571,1.01635946,0.969230769,0.987692308,0.550361308,7.82148982,-0.6405,18.7666,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,2,0,2,0,0,2,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.504166667,0,16.00462963,0,0,12.04210391,0,0,0,0,0,0,0,1.504166667,0,0,0,0,0,0,0,0,0,0,0,0,0,1.495833333,0,0,0,0,0,0,0,0,0,0,0,1.527777778,0,-0.138888889,0,0,0,-0.560185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.00462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.727777778,0,7.893518519,0,0,5.744727366,0,0,0,0,0,0,0,0.727777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.373611111,0,0,0,0,0,0,0,0,0,0,0,1.527777778,0,-0.138888889,0,0,0,-0.560185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.893518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.776388889,0,8.111111111,0,0,6.297376543,0,0,0,0,0,0,0,0.776388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561111111,0,0,0,0,0,0,0,0,0,0,0,1.527777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.83333333,3.366666667,0.776388889,8.111111111,0.373611111,-0.560185185,0.354976852,1.893518519,2.111111111,8.009259259,1.893518519,2.111111111,8.009259259,2.16666,0.43333,0,0.06667,0.5718,1.00667,0.41765,0.5718,0.80476,0.15415,0,-0.15415,0.20191,0.43046,0.28383,0,0.53846,0.23077,0,2.5,0.5,2.5,0.5,0,0,-2.5,-0.5,0,0,3.05947,0.61189,4.43249,1.37302,0.2746,1.65056,0.33011,2.27005,0.61949,0.1239,0.14395,0.02879,0.14395,0.02879,0,4.02,2,2,2,2,2,2,1,1.334679141,2.199687795,3.026986833,3.180832987,2.611534569,1.057485468,17.35082883,28.59594133,39.35082883,41.35082883,33.9499494,13.74731109,0.360681228,0.59443957,0.818007335,0.859582436,0.705736282,0.285772921,2.365760577,1.500751923,0.673452885,0.519606731,1.088905149,2.64295425,0.372299331,0.613587393,0.844356624,0.887270923,0.728469145,0.294978112,12.93778083,17.83006246,20.96954123,21.12459124,14.29301022,1.065760326,18.88292174,15.69084035,13.08909253,12.82748642,9.411695906,2.033859569,5,2.25,4,5,0,3,1.57,0.6487,0,0.5,1,0,0,1,0,0,0,0,0.333333333,0,0,0,0,0,0,0,0,0.604,0.703,0.688,0.717,0.341,2.771,4,2,0,0,0,0,0,0,0,15,1.609437912,1.609437912,1.098612289,0,0,0,0,0,0,0,2.772588722,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,4,1,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,40.46,78.02486598,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,76.0524295,5.850186884,8.696801932,1.739360386,4.642167779,4.642167779,0,18,2,-0.748,16,1.201,2.10464717,2.802254346,3.231366355,3.978915945,0,0,0,0,0,90.79089369,103.4993685,82.60716654,21.04723646,4.042833251,0,0,0,0,0,254.9675676,306.4796249,263.3593567,169.9041185,123.6796064,0,0,0,0,0,9.706554123,16.65501869,22.44791379,24.60982466,26.73220354,0,0,0,0,0,1.724520879,2.210088161,2.082486062,1.667608609,1.769077377,0,0,0,0,0,182.3024877,340.5638558,484.5378135,591.2202463,735.7717942,0,0,0,0,0,4.478861111,7.418670615,12.72324409,8.555907396,3.978915945,0,0,0,0,0,0.42065485,0.569956121,0.579891831,0.464210814,0.407440993,0,0,0,0,0,330.0514045,270.7281397,26.01808473,126.440874,-103.7144582,-28.90470955,203.6105305,374.4425979,54.92279427,0.723016401,0.593061816,0.056995673,0.276983599,-0.227198713,-0.063319164,150.6659177,123.5853053,11.87705478,57.71928266,-47.34484934,-13.19477672,0.256277615,0.479239632,11.45782865,18.93005424,323.4708478,133.0214307,0.708600918,0.291399082,319.5229361,17.8752045,6.836503064,413.7070167,20.339789,7.451281354,491.8984286,22.1787833,7.893903477,1.432968354,1.268731041,176.057242,134.4198963,59.77102774,1.309755823,2.945528103,2.248913921,3.045542852,2.359935319,4.338526665,0.838409142,3.10207814,2.662560845,4.084982397,5.246985958,4.243542888,0.588860087,1.057340248,0.159716805,1.99E-19,5.17E-59,2.60E-120,2.51E-203,4.69E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300146024,2.916591683,0.386000628,2.204741056,0.153042109,0.083959277,0.009475602,0.016570296,2.22E-20,5.78E-60,2.90E-121,2.81E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.730009794,2.444123824,0.885479538,1.987742561,0.55914767,0.120465583,0.079887265,0.02945474,3.85E-20,1.00E-59,5.03E-121,4.87E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.374024849,2.915662185,4.53919733,5.374824812,3.980823322,0.73029446,0.948418729,0.196134843,2.50E-19,6.50E-59,3.26E-120,3.16E-203,5.89E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.942098482,2.264584671,1.108739629,2.060721274,0.931209493,0.118248853,0.169328115,0.030229186,3.81E-20,9.92E-60,4.98E-121,4.82E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.107468998,2.822901447,5.559354834,6.877104391,5.936926427,0.854245274,1.541858648,0.233242025,2.91E-19,7.56E-59,3.79E-120,3.67E-203,6.85E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.412726583,4.211971064,6.142344983,6.851098926,2.625167235,1.345087448,0.441177308,0.345575599,4.60E-19,1.20E-58,6.00E-120,5.81E-203,1.08E-307,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.893317034,0.922320601,0.498405455,0.571301272,0.278306762,0.544088868,0.442360549,0.35349426,3.31404309,3.149574461,7.333955737,0.356951908,1.339943677,1.787000541,0.721954533,0.119195244,0.679946093,0.274700624,0.486601932,0.260117125,0.019706899,2.628150317,1.589188652,4.371116704,0.51991914,0.766425955,1.699115547,0.717821522,0.288914385,0.627941177,0.265284896,0.441148326,0.26792262,0.122651495,2.705851454,1.917949595,4.976178861,0.441911766,0.831722441,1.922009109,0.930142191,0.465428955,0.579340652,0.280367653,0.560344121,0.44342233,0.302867465,3.317580256,3.115215565,7.264862602,0.369010978,1.306633916,1.691708807,0.74437935,0.375796206,0.601628157,0.26472616,0.437358269,0.296752521,0.213570258,2.811884364,2.17474579,5.459860209,0.402442235,0.947681048,1.929217118,0.952722185,0.516443545,0.56768681,0.280345749,0.564390361,0.46958182,0.375472218,3.398382847,3.326366895,7.673977081,0.351530215,1.409444399,1.92743285,0.931537969,0.46620472,0.579648451,0.280147005,0.563123223,0.443983164,0.303595402,3.325175539,3.128342572,7.290577908,0.369472676,1.310701789 +UMLKV0215,L,DIETHYLENE GLYCOL,C(COCCO)O,C4H10O3,Miscellaneous - Doesn't fit in other categories,,111-46-6,2.627114062,PubChem,,15.98,0,-1.0283,1.05740089,25.5971,16.11393,0,0,17,7,10,0,4,0,3,0,0,0,0,0,0,0,1355.121127,1186.294886,1167.071149,1014.315476,665.831299,529.606986,352.818657,36.31824,1.016064,2654.077382,3139.872004,3562.245096,2997.349034,2359.566054,1870.60318,1022.588488,288.362239,31.08374443,137.401852,131.09996,221.495572,240.881168,157.239388,154.405944,119.219364,45.816192,6.718464,17.53134105,20.91305045,25.33829861,23.15897261,19.00237369,15.05592104,8.566267803,2.847987591,0.444612905,2912.707802,2462.310961,4492.537969,5243.712608,3508.171164,3445.500266,2711.774704,1110.039161,184.917652,103.25,57,87.75,105.5,47.25,59,71,16,1,79.71300747,74.14343037,43.22485737,33.81051587,31.70625233,26.4803493,23.5212438,6.05304,1.016064,156.122199,196.2420003,131.9350036,99.91163446,112.3602883,93.53015902,68.17256584,48.06037316,31.08374443,8.082461882,8.1937475,8.203539704,8.029372267,7.487589905,7.7202972,7.9479576,7.636032,6.718464,1.031255356,1.307065653,0.938455504,0.771965754,0.904874938,0.752796052,0.57108452,0.474664599,0.444612905,171.3357531,153.8944351,166.3902951,174.7904203,167.0557697,172.2750133,180.7849803,185.0065269,184.917652,6.073529412,3.5625,3.25,3.516666667,2.25,2.95,4.733333333,2.666666667,1,0.585211298,-0.22910414,-0.206948329,0.247519946,-0.113434492,-0.072470904,0.153863052,-0.116060414,0.044029631,692.6701481,-52.02114858,-342.5118264,-4.006951972,21.33129315,-53.69498531,49.71321296,7.456265606,27.39906652,701.2881433,-94.77131942,-310.8614665,75.19563312,-59.21304833,-96.10259345,43.94663588,64.71718754,26.44489946,2.628089882,-0.474233301,-1.372830284,0.609085619,0.037837675,-0.373156097,0.384151751,-0.174918311,0.050018007,2.932146316,-0.746473519,-1.220668485,1.046866681,-0.573164055,-0.674454706,0.299235932,0.335032427,0.067552566,16.78799184,-4.855172303,-6.970186767,7.246938299,-3.644509329,-4.275886234,1.991283316,1.814665791,0.298871307,44.88235294,-8.506920415,-17.81314879,4.678200692,2.615916955,-9.44982699,9.471453287,-4.164359862,0.727508651,0.034424194,-0.014319009,-0.007664753,0.008250665,-0.005401642,-0.003623545,0.010257537,-0.019343402,0.044029631,40.74530283,-3.251321786,-12.6856232,-0.133565066,1.015775864,-2.684749266,3.314214197,1.242710934,27.39906652,41.25224373,-5.923207464,-11.51338765,2.506521104,-2.819668968,-4.805129672,2.929775725,10.78619792,26.44489946,0.154593522,-0.029639581,-0.050845566,0.020302854,0.001801794,-0.018657805,0.025610117,-0.029153052,0.050018007,0.172479195,-0.046654595,-0.045209944,0.034895556,-0.027293526,-0.033722735,0.019949062,0.055838738,0.067552566,0.987528932,-0.303448269,-0.258155065,0.24156461,-0.173548063,-0.213794312,0.132752221,0.302444298,0.298871307,2.640138408,-0.531682526,-0.659746251,0.155940023,0.124567474,-0.472491349,0.631430219,-0.694059977,0.727508651,-0.415957704,-0.222655988,0.239676341,-0.15691413,-0.105261584,0.29797464,-0.561913007,1.279031575,-0.079796236,-0.311339524,-0.003278048,0.024929889,-0.065891013,0.081339786,0.030499489,0.672447242,-0.143585098,-0.279097247,0.060760843,-0.068351893,-0.116481656,0.071021003,0.261469364,0.641053603,-0.191725894,-0.328898425,0.131330561,0.011655042,-0.120689435,0.165660995,-0.188578741,0.323545296,-0.270494044,-0.262118245,0.20231748,-0.158242427,-0.195517699,0.115660687,0.323741874,0.391656315,-0.307280384,-0.261415192,0.244615223,-0.175739725,-0.216494226,0.13442869,0.306263734,0.302645621,-0.201384338,-0.249890782,0.059065094,0.047182176,-0.178964613,0.239165574,-0.262887724,0.275557012,1.325076458,1.233557332,0.776490404,0.786783793,0.875290566,0.86452352,1.866982136,0,1.069487991,1.314127633,0.971789804,0.797354179,0.956948799,0.878572941,0.865174019,0,1.501314792,1.291442281,0.767480084,1.106432605,1.000131479,0.596269498,0.317310408,0,1.092670391,1.415788772,0.929957844,0.593491914,0.959267039,0.92514502,1.144399216,0,1.893093138,1.336317156,0.562481541,1.246582909,1.039309314,0.37942123,0.016625758,0,1.964857121,1.357374844,0.521079621,1.244745502,1.046485712,0.347402698,6.11E-05,0,1.119593709,1.161885345,0.825862822,0.466828933,1.265530799,1.19423329,1.485364788,0,27.41762837,14.08381418,22.41794442,27.95334265,3.993334665,14.08381677,0.75,7.77E-16,1.11E-16,-24.35362329,2000010.829,285715.8327,10.15606421,27.43475455,14.09127565,22.43053451,27.96889508,3.99555644,14.09127821,0.747796737,2.22E-16,3.17E-17,-25.23055737,2000010.828,285715.8326,10.15606421,42.5698779,20.68644723,33.64657803,41.71488973,5.959269962,20.68644724,-1.196983434,4.44E-16,6.34E-17,-24.74535435,2000010.666,285715.8095,10.15606415,27.45272866,14.09910653,22.44374832,27.98521751,3.997888216,14.09910907,0.745484401,5.55E-16,7.93E-17,-24.58915386,2000010.828,285715.8325,10.15606421,58.54371803,27.64841762,45.57195883,56.22451604,8.032073719,27.64841762,-3.246882793,1.11E-16,1.59E-17,-25.7157604,2000010.691,285715.8129,10.15606416,29.21043137,14.86491696,23.73773407,29.5814332,4.225919028,14.86491809,0.519402558,6.66E-16,9.52E-17,-24.46152877,2000010.778,285715.8254,10.15606419,18.89408633,10.18868233,16.07286505,19.78552793,2.82650399,10.18887108,2.071428571,3.89E-16,5.55E-17,-24.83882632,2000011.092,285715.8702,10.1560643,0,11.9964614,15.99870091,-0.418345561,0.092162897,3.683572772,5.578213418,6,16,16,16,6,0,0,0,0,0,12.84807,3.39354804,3.081103244,2.448140372,1.964245841,1.336192272,1.198333585,0.704970437,0.083923071,1.67915502,1.507810708,0.897818444,0.764236255,0.390050499,0.387837522,0.083923071,0.083923071,3.28811274,3.018407012,2.205606725,1.850464563,1.209653745,1.174796842,0.497687573,0.270913902,1.701338722,1.488390668,0.919945816,0.704321604,0.337436329,0.323415335,0.270913902,0.270913902,3.523934014,3.255163502,2.638691189,2.286731027,1.792415662,1.74298868,1.13510611,0.943918427,1.429634147,1.20248957,0.454107964,0.216101584,0.286675981,0.296126006,0.943918427,0.943918427,3.271140976,3.020908895,2.164066988,1.858693349,1.214938593,1.198037566,0.439979556,0.399277246,1.709823718,1.476913796,0.939774642,0.668753468,0.282216975,0.253901288,0.399277246,0.399277246,3.553526614,3.307311697,2.676929801,2.389362019,1.939582803,1.913157955,1.208515408,1.207644823,1.391899917,1.143269209,0.388136875,0.096713408,0.443188782,0.462471488,1.207644823,1.207644823,4.626191716,4.612641734,3.588125164,2.726383804,2.111359689,1.724133454,1.363758233,0.666666667,1.369019956,1.190281902,0.386930168,0.272752113,0.399848656,0.399875023,0.666666667,0.666666667,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,4.131102606,2.209805801,1.059586031,0.47124932,0.231161517,0.091287093,0.020412415,0,0.590157515,0.368300967,0.211917206,0.11781233,0.077053839,0.045643546,0.020412415,0,8.853536332,17.43117261,16.6745098,17,9.433491018,132.8621437,0.520796255,1.025363095,0.980853518,1,0.554911236,7.815420218,-1.0124,24.9906,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,6.66E-16,9.52E-17,-24.46152877,2000010.71,285715.8157,10.15606417,54,2,0,3,0,0,2,0,0,2,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.542222222,0,20.80444444,0,0,7.143487654,0,0,12.47079444,0,0,0,0,1.542222222,0,0,0,0,0,0,0,0,0,0,0,0,0,2.38,0,0,0,0,0,0,0,0,0,0,0,0,0,0.695555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.1725,0,4.631944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.771111111,0,4.631944444,0,0,3.571743827,0,0,6.235397222,0,0,0,0,0.771111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0.588888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.027777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.08625,0,4.631944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.771111111,0,8.08625,0,0,3.571743827,0,0,6.235397222,0,0,0,0,0.771111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0.601111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0.32,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.08625,0,4.631944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.5,3.071428571,0.771111111,8.08625,0.277777778,0.027777778,0.335257778,1.472222222,2.08625,10.60888889,1.472222222,2.08625,10.60888889,2.99999,0.42857,0,0.07143,0.6,1.02857,0.42174,0.6,0.86667,0.17826,0,-0.17826,0.16191,0.41666,0.29763,0,0.22222,0,0,4,0.57143,4,0.57143,0,0,-4,-0.57143,0,0,4.18905,0.59844,6.60412,2.41507,0.34501,2.23955,0.31994,3.41421,1.17466,0.16781,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6.03,3,3,3,3,2,2,1,1.383099991,1.969815782,2.2051099,2.675698135,2.675698135,2.435259145,23.51269985,33.4868683,37.4868683,45.4868683,45.4868683,41.39940546,0.338376163,0.481916499,0.539481332,0.654610999,0.654610999,0.59578747,2.70436285,2.117647059,1.882352941,1.411764706,1.411764706,1.652203697,0.345774998,0.492453946,0.551277475,0.668924534,0.668924534,0.608814786,13.41148853,16.43148632,19.25501573,19.72928634,19.72928634,15.88348521,26.88999599,24.34367174,21.27318843,21.10855249,21.10855249,19.18504056,7,6,6,7,0,2,1.57,0.8483,0,0,0,0,2.941682753,0,0,0,0,0,0.166666667,0.666666667,0,0,0,0,0,0,0,0.515,0.896,0.912,0.822,0.442,3.686,5,4,3,2,1,0,0,0,0,28,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.666666667,6,1,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,6.66E-16,9.52E-17,-24.46152877,2000010.71,285715.8157,10.15606417,49.69,104.1110773,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,106.0629942,6.238999658,12.83378878,1.833398397,7.656092168,7.656092168,0,56,4,-1.398,22,1.215125,2.100087024,2.775868075,3.413113461,4.669911039,5.366760677,6.338955632,6.382240056,0,0,103.454308,98.84651529,113.8896657,141.3158311,147.546309,157.2306232,40.36807777,6.484764361,0,0,260.2417527,290.0648963,300.6629091,455.7803975,472.0630157,401.0814553,311.3870581,198.3839188,0,0,10.02859432,17.32179516,22.56870885,26.11139941,36.49157045,43.95090462,48.76845952,42.87885006,0,0,1.683031846,2.026172354,2.227764979,3.465647212,3.6374051,3.14444135,3.020799083,2.837626291,0,0,184.9034585,347.4508891,484.4663217,556.8963876,800.1035282,968.4452642,1172.783422,1180.188846,0,0,4.46690625,7.014900697,10.73502213,8.810498234,14.8130358,30.19598371,17.56503425,6.382240056,0,0,0.433001137,0.556427918,0.606188323,0.859035383,0.99260517,0.966472295,0.879019147,0.653541382,0,0,273.1272182,317.5752492,21.86765222,115.3394018,-134.1094437,-45.05970899,157.7878164,451.6846929,66.92736121,0.703090572,0.817509749,0.05629223,0.296909428,-0.345227715,-0.115993773,106.1008073,123.3673837,8.494852946,44.8055076,-52.0970423,-17.50419285,0.180464116,0.338318456,3.205765407,17.57410416,237.7761851,150.690435,0.612089103,0.387910897,514.8827339,22.69102761,8.014986148,628.4408867,25.06872328,8.56554125,784.4281714,28.00764487,9.222550898,2.447127769,2.447127769,629.9302037,607.6088479,35.63828815,1.03673639,17.6756583,17.04932755,3.762502954,3.603460633,6.969587238,0.934137194,3.659879438,3.4280786,8.002896247,8.702161728,0.961607661,2.672542136,5.288713697,6.182819646,1.504306288,1.07E-04,2.061521394,0.257656568,0.91350037,6.05E-13,7.74E-47,1.91E-102,9.09E-180,8.35E-279,0,0,0,0,0,0,0,0,0,0,0,0,0.346958661,3.936232898,0.834318834,1.164273542,0.006780183,3.002186889,0.348529767,0.888292053,0.096564155,9.00E-06,1.132719556,0.002627331,1.617756897,1.07E-12,1.37E-46,3.39E-102,1.61E-179,1.48E-278,0,0,0,0,0,0,0,0,0,0,0,0,0.881126005,2.991290829,1.619682929,1.820509266,0.070585174,1.526676529,1.187902137,0.981150913,0.330543425,2.86E-05,0.748340378,0.019843498,0.466156329,3.09E-13,3.95E-47,9.76E-103,4.65E-180,4.27E-279,0,0,0,0,0,0,0,0,0,0,0,0,3.900543848,3.934291393,9.560932179,8.432580197,0.856801259,3.782433783,4.926484035,5.821226476,1.399585506,1.01E-04,2.426349839,0.232399545,1.61655205,1.07E-12,1.37E-46,3.38E-102,1.61E-179,1.48E-278,0,0,0,0,0,0,0,0,0,0,0,0,1.164815863,2.632204434,1.792996463,2.491797822,0.153304038,1.18554123,1.814291804,1.349530799,0.506923399,4.22E-05,0.617891916,0.041327003,0.210608839,1.40E-13,1.79E-47,4.41E-103,2.10E-180,1.93E-279,0,0,0,0,0,0,0,0,0,0,0,0,4.781094849,3.748717324,11.36391166,11.60889919,1.402414551,3.549184944,6.69778059,8.692570248,1.914828139,1.30E-04,2.795811402,0.375784204,1.33609516,8.85E-13,1.13E-46,2.79E-102,1.33E-179,1.22E-278,0,0,0,0,0,0,0,0,0,0,0,0,5.297269839,6.745062719,14.62857427,7.297120943,0.427500549,13.15646933,3.250299314,5.095639959,0.918130846,7.14E-05,5.191921095,0.131754541,14.59140146,9.68E-12,1.24E-45,3.06E-101,1.46E-178,1.34E-277,0,0,0,0,0,0,0,0,0,0,0,0,5.062365439,0.794393237,0.388633412,0.81057608,0.127196696,0.617415441,0.654742739,0.470588235,6.245392088,6.297640975,14.10592578,0.715864121,1.742746416,5.665309849,0.281469301,0.062754989,0.942720304,0.046837125,0.773246275,0.082198082,0.01227036,6.009534138,1.967800858,8.077404779,0.914080456,0.867714717,4.97646762,0.509453106,0.202163885,0.874893389,0.089564966,0.596640688,0.269282446,0.127340908,5.688084611,3.644331933,9.844957968,0.812340083,0.993264043,5.2430954,0.743350931,0.35776423,0.826437797,0.117169965,0.662286682,0.573307196,0.398799523,6.344210561,6.03919621,13.77777849,0.739656696,1.634393401,4.721222536,0.633612734,0.279634774,0.837917763,0.112452942,0.537006379,0.416531075,0.243636947,5.634470043,4.488824867,10.95980184,0.756876645,1.197174402,5.132547627,0.818023102,0.404911876,0.807577952,0.128711406,0.634653205,0.69427376,0.510836388,6.355482605,6.607999288,14.66352163,0.711366928,1.839763354,5.323634295,0.747717115,0.3617992,0.827531426,0.116228759,0.682789651,0.580061789,0.407845805,6.43315061,6.17718256,14.05050111,0.741297138,1.670697245 +UMLKV0216,L,TETRAETHYLENE GLYCOL,C(COCCOCCOCCO)O,C8H18O5,Miscellaneous - Doesn't fit in other categories,,112-60-7,3.251478955,PubChem,,22.3149,0,-1.2901,1.66435801,47.6841,30.092274,0,0,31,13,18,0,8,0,5,0,0,0,0,0,0,0,2452.242125,2340.335788,2454.192243,2337.309114,1924.857417,1828.920848,1675.812295,1295.344358,1179.263917,5029.596499,6115.716747,7318.533862,6946.870126,6501.973683,5999.896879,4972.10958,4430.769868,3935.25003,248.01506,243.257584,436.296396,484.204776,380.08578,449.828336,362.542972,268.662584,302.11714,33.53025229,40.75656493,51.23840859,52.34438221,51.31114589,46.29138589,37.75167741,35.15675979,30.67365347,5270.129014,4554.253368,8805.625198,10307.58842,8304.43517,9977.59932,7775.650512,5906.303167,6711.549793,144.75,94.5,157.25,187,104.75,140.5,146.25,76,99.75,79.10458468,78.01119293,46.30551402,38.9551519,37.74230229,31.53311807,37.24027322,35.98178772,30.23753633,162.2450483,203.8572249,138.0855446,115.7811688,127.4896801,103.4464979,110.491324,123.0769408,100.9038469,8.000485806,8.108586133,8.232007472,8.0700796,7.452662353,7.755660966,8.056510489,7.462849556,7.746593333,1.081621042,1.358552164,0.966762426,0.87240637,1.0061009,0.798127343,0.838926165,0.976576661,0.786503935,170.0041617,151.8084456,166.1438717,171.7931403,162.8320621,172.0275745,172.7922336,164.0639769,172.0910203,4.669354839,3.15,2.966981132,3.116666667,2.053921569,2.422413793,3.25,2.111111111,2.557692308,0.915409945,-0.292156193,-0.432755873,0.43432991,-0.115798476,-0.25699753,0.341258473,-0.114615047,-0.164763214,1235.334785,-6.204474343,-594.9366039,-111.823022,49.51893048,27.96321811,-57.62972564,35.75053185,-12.4998179,1332.469288,-200.6157413,-452.1715029,141.7380423,-322.9770216,126.0604983,114.0463236,-190.7240647,18.52244513,4.448374968,-0.54184313,-2.678890622,1.101985482,0.360808408,-1.202340262,0.863379563,0.180197328,-0.794620637,5.700236806,-1.916131073,-1.641667755,2.606749731,-2.589692231,-0.04489692,1.874250026,-1.594178544,-0.339141932,32.56869125,-12.4826605,-9.498480925,18.21300525,-15.92933056,-1.915565742,13.03143058,-9.891157431,-2.979256311,55.83870968,-7.440686785,-24.36940687,6.82830385,5.458896982,-11.53694069,6.040582726,3.122788762,-10.24869927,0.029529353,-0.00973854,-0.008165205,0.007238832,-0.002270558,-0.004430992,0.007583522,-0.003183751,-0.004224698,39.8495092,-0.206815811,-11.22521894,-1.863717033,0.970959421,0.48212445,-1.28066057,0.993070329,-0.320508151,42.98288026,-6.687191377,-8.53153779,2.362300705,-6.332882777,2.173456867,2.534362748,-5.297890685,0.47493449,0.143495967,-0.018061438,-0.050545106,0.018366425,0.007074675,-0.020730005,0.019186213,0.005005481,-0.020374888,0.183878607,-0.063871036,-0.030974863,0.043445829,-0.050778279,-7.74E-04,0.041650001,-0.044282737,-0.008695947,1.050602944,-0.416088683,-0.179216621,0.303550087,-0.312339815,-0.033026996,0.289587346,-0.274754373,-0.076391187,1.801248699,-0.248022893,-0.45980013,0.113805064,0.107037196,-0.19891277,0.134235172,0.086744132,-0.262787161,-0.329791842,-0.276511481,0.245140211,-0.076891571,-0.150053809,0.256812995,-0.107816494,-0.14306774,-0.005189921,-0.281690268,-0.046768883,0.024365656,0.01209863,-0.032137424,0.024920516,-0.008042964,-0.155578019,-0.19848688,0.054959107,-0.147335003,0.05056564,0.058962143,-0.123255832,0.011049387,-0.125867215,-0.352240605,0.12799262,0.049302254,-0.144464022,0.133705587,0.034882383,-0.141989274,-0.34735436,-0.168452785,0.236274516,-0.276151098,-0.00420976,0.226508137,-0.240825935,-0.047291782,-0.396047513,-0.170584541,0.288929409,-0.297295774,-0.03143623,0.275639192,-0.261520658,-0.072711758,-0.137694974,-0.255267432,0.063181205,0.059423885,-0.110430487,0.074523397,0.048157776,-0.145891659,1.283420954,1.467527403,0.878465129,0.645364283,1.014522992,0.895716667,0.732195647,1.023442937,1.017436523,1.352189236,1.070682516,0.82151325,0.939388647,1.05434875,0.826406504,0.956488554,1.517679457,1.202839646,0.841846786,1.275086113,0.846207566,0.813687611,1.221644115,0.88229683,1.037553721,1.594907459,1.032822555,0.513846336,1.093750981,1.031933991,0.555727283,1.085769703,1.944370311,1.213232817,0.630782343,1.481429099,0.854313654,0.601355955,1.400018329,0.892283194,2.025614898,1.241635156,0.587549926,1.486095076,0.872653997,0.559573607,1.403537517,0.908235907,1.061091854,1.236715608,0.855141537,0.395045367,0.972628937,0.98497978,0.485027922,1.212282807,96.41136482,48.83068241,77.42937873,97.46905712,7.497619779,48.83068241,1.25,5.55E-17,4.27E-18,-48.65893208,2000042.774,153849.4441,18.86128286,96.47073492,48.85853141,77.47426811,97.52532006,7.501947697,48.85853141,1.246327895,1.67E-16,1.28E-17,-47.2307361,2000042.772,153849.444,18.86128286,148.911291,73.45815929,117.1915567,147.2232374,11.32486442,73.45815929,-1.99497239,1.11E-16,8.54E-18,-47.75784074,2000042.332,153849.4101,18.86128258,96.53304432,48.88775916,77.52138015,97.58436847,7.506489882,48.88775916,1.242474001,3.89E-16,2.99E-17,-46.12924888,2000042.771,153849.4439,18.86128286,204.2246343,99.40658151,159.153438,199.6456971,15.35736131,99.40658151,-5.411471322,2.78E-16,2.14E-17,-46.56666279,2000042.317,153849.409,18.86128257,102.625846,51.74575846,82.12946402,103.3583368,7.950641291,51.74575846,0.865670929,6.11E-16,4.70E-17,-45.54166822,2000042.655,153849.435,18.86128279,69.57788293,35.87729564,56.90171438,71.26008578,5.48154506,35.87729564,3.214285714,5.00E-16,3.84E-17,-45.80254012,2000043.683,153849.5141,18.86128345,0,11.99629184,15.99999068,-0.418372111,0.092580719,3.719005864,6.204494525,12,30,30,30,12,0,0,0,0,0,25.425726,3.465193941,3.348306901,3.162601881,2.927267213,2.477233628,2.234207326,1.921445871,1.629462592,1.719416534,1.648341449,1.542434735,1.429477542,0.902776806,0.848656318,0.759620684,0.691065507,3.352699698,3.246778582,3.084099439,2.89780295,2.239533672,2.075517066,1.842515115,1.641455082,1.749084359,1.664188023,1.532688163,1.378260693,0.917609336,0.828107135,0.678795325,0.565161602,3.585147876,3.481514208,3.318645861,3.118418843,2.649526048,2.484342737,2.248896039,2.051243117,1.48397548,1.392322633,1.25369799,1.100341327,0.471686687,0.366364002,0.209750712,0.084950093,3.332082491,3.231850186,3.080177987,2.912737947,2.197351447,2.057356183,1.859060999,1.693653616,1.76128521,1.66994845,1.526339899,1.349868213,0.934677208,0.815146106,0.628656695,0.484076497,3.609879105,3.513281199,3.363066829,3.184115372,2.684254791,2.555814516,2.361191193,2.204827477,1.450963867,1.352284737,1.20131355,1.029640887,0.409813994,0.27827334,0.08568306,0.072399664,4.61959812,4.619524665,3.825646004,3.62960963,3.359800054,2.816612338,2.524321484,2.189025282,1.433261082,1.347989267,1.238556403,1.150850406,0.435769241,0.361341638,0.291427287,0.245759494,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.778174593,6.414213562,4.181980515,2.707106781,1.737436867,1.103553391,0.691941738,0.426776695,0.752167276,0.534517797,0.380180047,0.270710678,0.193048541,0.137944174,0.09884882,0.071129449,7.776026312,4.36450634,2.284330903,1.215266256,0.670987923,0.341287093,0.172129275,0.092075242,0.59815587,0.363708862,0.207666446,0.121526626,0.074554214,0.042660887,0.024589896,0.015345874,16.45044576,31.64384559,30.2745098,30.84,17.58818802,241.284206,0.530659541,1.020769213,0.97659709,0.99483871,0.567360904,7.783361483,-0.9792,46.6286,58.31391262,92.72762715,116.6278252,8.971371172,58.31391262,1.11E-15,8.54E-17,-44.76448012,2000042.483,153849.4218,18.86128267,216,2,0,5,0,0,2,0,0,2,0,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.45586305,0,31.73605455,0,0,7.213352071,0,0,7.444577163,0,0,7.213352071,0,1.45586305,0,0,0,0,0,0,0,0,0,0,0,0,0,5.037856086,0,0,0,0,0,0,0,0,0,0,0,0,0,2.763945452,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.71315709,0,15.02289746,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.727931525,0,4.954691358,0,0,3.606676035,0,0,3.722288581,0,0,3.606676035,0,0.727931525,0,0,0,0,0,0,0,0,0,0,0,0,0,0.608179012,0,0,0,0,0,0,0,0,0,0,0,0,0,0.041280864,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.356578546,0,4.954691358,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.727931525,0,8.356578546,0,0,3.606676035,0,0,3.722288581,0,0,3.606676035,0,0.727931525,0,0,0,0,0,0,0,0,0,0,0,0,0,0.644513889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.502465278,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.356578546,0,5.113514739,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,34.5,2.653846154,0.727931525,8.356578546,0.142222222,0.041280864,1.332221708,1.458719136,2.356578546,18.4721091,1.458719136,2.356578546,18.4721091,5.66665,0.4359,0,0.0641,0.5914,0.99487,0.42683,0.5914,0.90222,0.16457,0,-0.16457,0.09265,0.43814,0.27615,0,0.11765,0,0,8,0.61538,8,0.61538,0,0,-8,-0.61538,0,0,10.03704,0.77208,15.46341,5.42637,0.41741,4.23212,0.32555,6.41421,2.1821,0.16785,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,12.05,5,5,5,5,2,2,1,1.384251456,1.833070907,2.042433004,2.638891875,3.083228568,3.083228568,42.91179512,56.82519812,63.31542312,81.80564811,95.58008562,95.58008562,0.279409892,0.370003688,0.412263236,0.532657914,0.62234687,0.62234687,3.569944855,3.121125403,2.911763307,2.315304436,1.870967742,1.870967742,0.282103591,0.373570772,0.41623773,0.537793094,0.628346711,0.628346711,13.30144262,16.10082628,18.61317144,21.1679883,22.94766471,22.43219185,49.38609453,44.50392065,39.86662488,35.57345096,32.30729142,33.31590887,13,12,12,13,0,2,1.79,1.5293,0,0,0,0,7.772762597,0,0,0,0,0,0.083333333,1.100642416,0.793700526,0,0,0,0,0,0,0.515,1.318,1.364,1.192,0.47,6.402,11,10,9,8,7,6,5,4,3,88,2.564949357,2.48490665,2.397895273,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,4.48863637,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0.833333333,12,1,0,6,12,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.041666667,0.02020202,0.0125,0.008888889,0.006944444,0.005830904,0.005208333,0.004938272,0.005,0.005509642,0.123633615,58.31391262,92.72762715,116.6278252,8.971371172,58.31391262,1.11E-15,8.54E-17,-44.76448012,2000042.483,153849.4218,18.86128267,68.15,190.8754692,4.700439718,3.850147602,4.48863637,5.141663557,5.796057751,6.456769656,7.117205503,7.78113851,8.444407422,9.109967398,83.18599377,3.218875825,0,4.234106505,0,5.379897354,0,6.586171655,0,7.826044014,8.174702882,194.1154237,6.261787861,24.8285109,1.909885454,13.66098196,13.66098196,0,364,10,-1.778,46,1.233333333,2.109713968,2.809084545,3.572504095,4.727856704,5.752493718,6.932198676,7.930432654,9.151516945,10.17607056,109.3384867,105.9615469,132.106722,169.6418633,177.8402299,252.4037359,286.001677,274.0936015,346.1026192,360.5070934,272.4407468,305.2110324,356.3405789,528.62037,538.3226194,701.7194512,922.4755014,864.293254,970.4198576,1222.235617,10.10237792,17.45307286,22.92665138,27.15263595,37.10082371,47.26896279,52.23070079,62.15368094,74.35731443,76.79390887,1.76165054,2.102157023,2.584315853,3.969418539,3.983402216,5.132340425,7.097923859,6.520127612,7.30388554,9.606946089,185.6007832,348.2950444,480.7551118,568.8249301,806.6383759,986.4610922,1127.054658,1354.937211,1594.225999,1686.367458,4.0374,6.414118629,9.478832491,8.177213267,12.16781344,20.57703918,15.54762448,21.49460929,34.36145707,24.16659762,0.44900644,0.573424929,0.677241934,0.966306264,1.066647941,1.365901033,1.732164077,1.749673353,1.984297628,2.370902296,455.4882615,872.1110951,33.10585776,138.5781554,-265.3318583,-53.80856791,316.9101061,1137.442953,86.91442567,0.766729525,1.468036351,0.055727536,0.233270475,-0.44663669,-0.090576687,270.5902794,518.0919134,19.6670783,82.32462824,-157.6247464,-31.96586314,0.10959176,0.205453117,1.946788543,10.67235443,418.5444409,175.521976,0.704541494,0.295458506,1029.765468,32.08995899,10.09824976,1220.819909,34.94023339,10.68769047,1721.93381,41.4961903,11.98594143,3.990288886,3.990288886,3831.014229,3791.056585,66.59150807,1.010539975,57.53007162,56.9300305,5.658118299,6.969587238,13.93917448,1,5.891084249,6.856157158,15.04186333,20.78381724,2.03919539,5.433796215,15.86613432,15.41803051,4.512918865,2.95E-04,15.03632908,0.204406392,24.64639872,0.001159079,2.856257151,7.83931637,2.348438549,5.799354758,2.84E-04,7.215633057,0.23893005,2.76834952,0.897353599,0.289568427,3.947204239,0.205419833,0.69080313,2.19E-14,1.34E-49,1.58E-106,0.534208699,7.872465792,1.581153905,2.643160336,0.014377224,6.702162243,1.045589114,2.535849314,0.289692466,1.92E-04,4.051814088,0.002253605,9.461343963,8.22E-06,0.964177043,0.458645758,0.113948165,0.902660547,3.17E-05,5.703758762,0.00169035,1.614466487,0.008899362,0.024308264,0.621794168,0.011305239,1.22560778,3.88E-14,2.37E-49,2.80E-106,1.485590576,5.982581646,2.958330744,4.632891523,0.14968263,3.695006916,3.563705722,2.438847311,0.991630274,2.12E-04,4.341388198,0.015936749,8.525522862,8.52E-05,0.988125159,1.603638785,0.409940246,1.226671939,5.50E-05,3.836249079,0.017555501,1.109311807,0.072390403,0.078415852,0.831839723,0.026394858,0.352941175,1.12E-14,6.84E-50,8.06E-107,6.006619331,7.868582746,18.20640781,20.07529726,1.81693867,7.478005598,14.77944581,14.60086268,4.198756517,2.88E-04,15.54731897,0.184959186,25.33735034,0.001032757,2.920269917,7.262717207,2.15504145,7.269996477,3.57E-04,8.532371174,0.212887569,3.511058208,0.801267745,0.273325146,4.923088424,0.217383857,1.223153525,3.88E-14,2.37E-49,2.79E-106,2.055685206,5.264408852,3.176440812,6.425049581,0.325097888,3.014039723,5.442874176,3.215772622,1.520770197,2.26E-04,5.008917922,0.032838144,9.788851363,1.85E-04,1.125292871,2.49619817,0.660673069,1.173293817,5.45E-05,3.700843529,0.038114325,0.871999888,0.150970475,0.115570666,0.798591297,0.035791022,0.159317936,5.05E-15,3.09E-50,3.64E-107,7.475597788,7.497434597,21.59030648,27.20359717,2.97397513,6.871294995,20.09333203,21.86121083,5.744484416,3.20E-04,19.4922856,0.298123852,31.5665464,0.001690224,3.518784938,10.13189227,3.128911914,8.413954261,4.15E-04,8.847054865,0.348432411,3.7468394,1.300458855,0.349746939,5.724749506,0.299783434,1.010378688,3.20E-14,1.96E-49,2.31E-106,6.784740352,12.21432621,24.99564464,16.10946635,0.906508006,21.30596838,9.750893893,11.52848764,2.752199524,2.57E-04,17.02927013,0.099488498,36.15586271,5.15E-04,3.36858854,4.652914469,1.307465192,12.33172063,4.42E-04,22.3252618,0.106212945,8.504251651,0.406142056,0.193060318,10.45405955,0.300450236,11.05216812,3.50E-13,2.14E-48,2.53E-105,18.86569935,0.784046909,0.426243097,0.939714552,0.039053961,0.581730166,0.681068729,0.516129032,20.07598935,23.16716195,49.54796581,0.909571829,1.778927927,19.4600358,0.276918922,0.068575658,0.982555651,0.013981899,0.618960645,0.084959532,0.013359295,19.80553038,6.742326789,26.91740125,0.973833477,0.717279472,18.42520622,0.493875346,0.217606906,0.962821036,0.025807775,0.554881801,0.270234965,0.134520638,19.13668847,13.21667789,34.33353591,0.944231554,0.959637404,19.15015875,0.736887835,0.394152477,0.944232079,0.036333544,0.599405224,0.601602484,0.441338782,20.28119906,21.9500477,47.79333694,0.916348118,1.64234649,18.08730681,0.612093411,0.299966333,0.951995255,0.032216517,0.53471649,0.415089985,0.255616332,18.99936656,16.68031182,39.00064204,0.927992883,1.205422808,19.02046194,0.810609696,0.445926079,0.938031468,0.039976811,0.591313627,0.727998416,0.564897061,20.27699772,24.26136288,51.41372507,0.907047203,1.884209104,19.40299774,0.747624412,0.401999111,0.944064384,0.03637611,0.615337571,0.619261092,0.459085692,20.55262126,22.60668697,48.99076956,0.916096577,1.693684355 diff --git a/databases/mon_database_v1.1.csv b/databases/mon_database_v1.1.csv new file mode 100644 index 0000000..cfaf4c7 --- /dev/null +++ b/databases/mon_database_v1.1.csv @@ -0,0 +1,309 @@ +DATAID,ASSIGNMENT,STRING,STRING,STRING,STRING,STRING,STRING,STRING,STRING,STRING,TARGET,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT +DATAID,ASSIGNMENT,Compound Name,SMILES,PubChem CID,Notes,Source,Literature Source,Formula,Validated By,Notes (IMI),TARGET,nAcid,ALogP,ALogp2,AMR,apol,naAromAtom,nAromBond,nAtom,nHeavyAtom,nH,nB,nC,nN,nO,nS,nP,nF,nCl,nBr,nI,nX,ATS0m,ATS1m,ATS2m,ATS3m,ATS4m,ATS5m,ATS6m,ATS7m,ATS8m,ATS0v,ATS1v,ATS2v,ATS3v,ATS4v,ATS5v,ATS6v,ATS7v,ATS8v,ATS0e,ATS1e,ATS2e,ATS3e,ATS4e,ATS5e,ATS6e,ATS7e,ATS8e,ATS0p,ATS1p,ATS2p,ATS3p,ATS4p,ATS5p,ATS6p,ATS7p,ATS8p,ATS0i,ATS1i,ATS2i,ATS3i,ATS4i,ATS5i,ATS6i,ATS7i,ATS8i,ATS0s,ATS1s,ATS2s,ATS3s,ATS4s,ATS5s,ATS6s,ATS7s,ATS8s,AATS0m,AATS1m,AATS2m,AATS3m,AATS4m,AATS5m,AATS6m,AATS7m,AATS8m,AATS0v,AATS1v,AATS2v,AATS3v,AATS4v,AATS5v,AATS6v,AATS7v,AATS8v,AATS0e,AATS1e,AATS2e,AATS3e,AATS4e,AATS5e,AATS6e,AATS7e,AATS8e,AATS0p,AATS1p,AATS2p,AATS3p,AATS4p,AATS5p,AATS6p,AATS7p,AATS8p,AATS0i,AATS1i,AATS2i,AATS3i,AATS4i,AATS5i,AATS6i,AATS7i,AATS8i,AATS0s,AATS1s,AATS2s,AATS3s,AATS4s,AATS5s,AATS6s,AATS7s,AATS8s,ATSC0c,ATSC1c,ATSC2c,ATSC3c,ATSC4c,ATSC5c,ATSC6c,ATSC7c,ATSC8c,ATSC0m,ATSC1m,ATSC2m,ATSC3m,ATSC4m,ATSC5m,ATSC6m,ATSC7m,ATSC8m,ATSC0v,ATSC1v,ATSC2v,ATSC3v,ATSC4v,ATSC5v,ATSC6v,ATSC7v,ATSC8v,ATSC0e,ATSC1e,ATSC2e,ATSC3e,ATSC4e,ATSC5e,ATSC6e,ATSC7e,ATSC8e,ATSC0p,ATSC1p,ATSC2p,ATSC3p,ATSC4p,ATSC5p,ATSC6p,ATSC7p,ATSC8p,ATSC0i,ATSC1i,ATSC2i,ATSC3i,ATSC4i,ATSC5i,ATSC6i,ATSC7i,ATSC8i,ATSC0s,ATSC1s,ATSC2s,ATSC3s,ATSC4s,ATSC5s,ATSC6s,ATSC7s,ATSC8s,AATSC0c,AATSC1c,AATSC2c,AATSC3c,AATSC4c,AATSC5c,AATSC6c,AATSC7c,AATSC8c,AATSC0m,AATSC1m,AATSC2m,AATSC3m,AATSC4m,AATSC5m,AATSC6m,AATSC7m,AATSC8m,AATSC0v,AATSC1v,AATSC2v,AATSC3v,AATSC4v,AATSC5v,AATSC6v,AATSC7v,AATSC8v,AATSC0e,AATSC1e,AATSC2e,AATSC3e,AATSC4e,AATSC5e,AATSC6e,AATSC7e,AATSC8e,AATSC0p,AATSC1p,AATSC2p,AATSC3p,AATSC4p,AATSC5p,AATSC6p,AATSC7p,AATSC8p,AATSC0i,AATSC1i,AATSC2i,AATSC3i,AATSC4i,AATSC5i,AATSC6i,AATSC7i,AATSC8i,AATSC0s,AATSC1s,AATSC2s,AATSC3s,AATSC4s,AATSC5s,AATSC6s,AATSC7s,AATSC8s,MATS1c,MATS2c,MATS3c,MATS4c,MATS5c,MATS6c,MATS7c,MATS8c,MATS1m,MATS2m,MATS3m,MATS4m,MATS5m,MATS6m,MATS7m,MATS8m,MATS1v,MATS2v,MATS3v,MATS4v,MATS5v,MATS6v,MATS7v,MATS8v,MATS1e,MATS2e,MATS3e,MATS4e,MATS5e,MATS6e,MATS7e,MATS8e,MATS1p,MATS2p,MATS3p,MATS4p,MATS5p,MATS6p,MATS7p,MATS8p,MATS1i,MATS2i,MATS3i,MATS4i,MATS5i,MATS6i,MATS7i,MATS8i,MATS1s,MATS2s,MATS3s,MATS4s,MATS5s,MATS6s,MATS7s,MATS8s,GATS1c,GATS2c,GATS3c,GATS4c,GATS5c,GATS6c,GATS7c,GATS8c,GATS1m,GATS2m,GATS3m,GATS4m,GATS5m,GATS6m,GATS7m,GATS8m,GATS1v,GATS2v,GATS3v,GATS4v,GATS5v,GATS6v,GATS7v,GATS8v,GATS1e,GATS2e,GATS3e,GATS4e,GATS5e,GATS6e,GATS7e,GATS8e,GATS1p,GATS2p,GATS3p,GATS4p,GATS5p,GATS6p,GATS7p,GATS8p,GATS1i,GATS2i,GATS3i,GATS4i,GATS5i,GATS6i,GATS7i,GATS8i,GATS1s,GATS2s,GATS3s,GATS4s,GATS5s,GATS6s,GATS7s,GATS8s,SpAbs_DzZ,SpMax_DzZ,SpDiam_DzZ,SpAD_DzZ,SpMAD_DzZ,EE_DzZ,SM1_DzZ,VE1_DzZ,VE2_DzZ,VE3_DzZ,VR1_DzZ,VR2_DzZ,VR3_DzZ,SpAbs_Dzm,SpMax_Dzm,SpDiam_Dzm,SpAD_Dzm,SpMAD_Dzm,EE_Dzm,SM1_Dzm,VE1_Dzm,VE2_Dzm,VE3_Dzm,VR1_Dzm,VR2_Dzm,VR3_Dzm,SpAbs_Dzv,SpMax_Dzv,SpDiam_Dzv,SpAD_Dzv,SpMAD_Dzv,EE_Dzv,SM1_Dzv,VE1_Dzv,VE2_Dzv,VE3_Dzv,VR1_Dzv,VR2_Dzv,VR3_Dzv,SpAbs_Dze,SpMax_Dze,SpDiam_Dze,SpAD_Dze,SpMAD_Dze,EE_Dze,SM1_Dze,VE1_Dze,VE2_Dze,VE3_Dze,VR1_Dze,VR2_Dze,VR3_Dze,SpAbs_Dzp,SpMax_Dzp,SpDiam_Dzp,SpAD_Dzp,SpMAD_Dzp,EE_Dzp,SM1_Dzp,VE1_Dzp,VE2_Dzp,VE3_Dzp,VR1_Dzp,VR2_Dzp,VR3_Dzp,SpAbs_Dzi,SpMax_Dzi,SpDiam_Dzi,SpAD_Dzi,SpMAD_Dzi,EE_Dzi,SM1_Dzi,VE1_Dzi,VE2_Dzi,VE3_Dzi,VR1_Dzi,VR2_Dzi,VR3_Dzi,SpAbs_Dzs,SpMax_Dzs,SpDiam_Dzs,SpAD_Dzs,SpMAD_Dzs,EE_Dzs,SM1_Dzs,VE1_Dzs,VE2_Dzs,VE3_Dzs,VR1_Dzs,VR2_Dzs,VR3_Dzs,nBase,BCUTw-1l,BCUTw-1h,BCUTc-1l,BCUTc-1h,BCUTp-1l,BCUTp-1h,nBonds,nBonds2,nBondsS,nBondsS2,nBondsS3,nBondsD,nBondsD2,nBondsT,nBondsQ,nBondsM,bpol,SpMax1_Bhm,SpMax2_Bhm,SpMax3_Bhm,SpMax4_Bhm,SpMax5_Bhm,SpMax6_Bhm,SpMax7_Bhm,SpMax8_Bhm,SpMin1_Bhm,SpMin2_Bhm,SpMin3_Bhm,SpMin4_Bhm,SpMin5_Bhm,SpMin6_Bhm,SpMin7_Bhm,SpMin8_Bhm,SpMax1_Bhv,SpMax2_Bhv,SpMax3_Bhv,SpMax4_Bhv,SpMax5_Bhv,SpMax6_Bhv,SpMax7_Bhv,SpMax8_Bhv,SpMin1_Bhv,SpMin2_Bhv,SpMin3_Bhv,SpMin4_Bhv,SpMin5_Bhv,SpMin6_Bhv,SpMin7_Bhv,SpMin8_Bhv,SpMax1_Bhe,SpMax2_Bhe,SpMax3_Bhe,SpMax4_Bhe,SpMax5_Bhe,SpMax6_Bhe,SpMax7_Bhe,SpMax8_Bhe,SpMin1_Bhe,SpMin2_Bhe,SpMin3_Bhe,SpMin4_Bhe,SpMin5_Bhe,SpMin6_Bhe,SpMin7_Bhe,SpMin8_Bhe,SpMax1_Bhp,SpMax2_Bhp,SpMax3_Bhp,SpMax4_Bhp,SpMax5_Bhp,SpMax6_Bhp,SpMax7_Bhp,SpMax8_Bhp,SpMin1_Bhp,SpMin2_Bhp,SpMin3_Bhp,SpMin4_Bhp,SpMin5_Bhp,SpMin6_Bhp,SpMin7_Bhp,SpMin8_Bhp,SpMax1_Bhi,SpMax2_Bhi,SpMax3_Bhi,SpMax4_Bhi,SpMax5_Bhi,SpMax6_Bhi,SpMax7_Bhi,SpMax8_Bhi,SpMin1_Bhi,SpMin2_Bhi,SpMin3_Bhi,SpMin4_Bhi,SpMin5_Bhi,SpMin6_Bhi,SpMin7_Bhi,SpMin8_Bhi,SpMax1_Bhs,SpMax2_Bhs,SpMax3_Bhs,SpMax4_Bhs,SpMax5_Bhs,SpMax6_Bhs,SpMax7_Bhs,SpMax8_Bhs,SpMin1_Bhs,SpMin2_Bhs,SpMin3_Bhs,SpMin4_Bhs,SpMin5_Bhs,SpMin6_Bhs,SpMin7_Bhs,SpMin8_Bhs,C1SP1,C2SP1,C1SP2,C2SP2,C3SP2,C1SP3,C2SP3,C3SP3,C4SP3,SCH-3,SCH-4,SCH-5,SCH-6,SCH-7,VCH-3,VCH-4,VCH-5,VCH-6,VCH-7,SC-3,SC-4,SC-5,SC-6,VC-3,VC-4,VC-5,VC-6,SPC-4,SPC-5,SPC-6,VPC-4,VPC-5,VPC-6,SP-0,SP-1,SP-2,SP-3,SP-4,SP-5,SP-6,SP-7,ASP-0,ASP-1,ASP-2,ASP-3,ASP-4,ASP-5,ASP-6,ASP-7,VP-0,VP-1,VP-2,VP-3,VP-4,VP-5,VP-6,VP-7,AVP-0,AVP-1,AVP-2,AVP-3,AVP-4,AVP-5,AVP-6,AVP-7,Sv,Sse,Spe,Sare,Sp,Si,Mv,Mse,Mpe,Mare,Mp,Mi,CrippenLogP,CrippenMR,SpMax_Dt,SpDiam_Dt,SpAD_Dt,SpMAD_Dt,EE_Dt,VE1_Dt,VE2_Dt,VE3_Dt,VR1_Dt,VR2_Dt,VR3_Dt,ECCEN,nHBd,nwHBd,nHBa,nwHBa,nHBint2,nHBint3,nHBint4,nHBint5,nHBint6,nHBint7,nHBint8,nHBint9,nHBint10,nHsOH,nHdNH,nHsSH,nHsNH2,nHssNH,nHaaNH,nHsNH3p,nHssNH2p,nHsssNHp,nHtCH,nHdCH2,nHdsCH,nHaaCH,nHCHnX,nHCsats,nHCsatu,nHAvin,nHother,nHmisc,nsLi,nssBe,nssssBem,nsBH2,nssBH,nsssB,nssssBm,nsCH3,ndCH2,nssCH2,ntCH,ndsCH,naaCH,nsssCH,nddC,ntsC,ndssC,naasC,naaaC,nssssC,nsNH3p,nsNH2,nssNH2p,ndNH,nssNH,naaNH,ntN,nsssNHp,ndsN,naaN,nsssN,nddsN,naasN,nssssNp,nsOH,ndO,nssO,naaO,naOm,nsOm,nsF,nsSiH3,nssSiH2,nsssSiH,nssssSi,nsPH2,nssPH,nsssP,ndsssP,nddsP,nsssssP,nsSH,ndS,nssS,naaS,ndssS,nddssS,nssssssS,nSm,nsCl,nsGeH3,nssGeH2,nsssGeH,nssssGe,nsAsH2,nssAsH,nsssAs,ndsssAs,nddsAs,nsssssAs,nsSeH,ndSe,nssSe,naaSe,ndssSe,nssssssSe,nddssSe,nsBr,nsSnH3,nssSnH2,nsssSnH,nssssSn,nsI,nsPbH3,nssPbH2,nsssPbH,nssssPb,SHBd,SwHBd,SHBa,SwHBa,SHBint2,SHBint3,SHBint4,SHBint5,SHBint6,SHBint7,SHBint8,SHBint9,SHBint10,SHsOH,SHdNH,SHsSH,SHsNH2,SHssNH,SHaaNH,SHsNH3p,SHssNH2p,SHsssNHp,SHtCH,SHdCH2,SHdsCH,SHaaCH,SHCHnX,SHCsats,SHCsatu,SHAvin,SHother,SHmisc,SsLi,SssBe,SssssBem,SsBH2,SssBH,SsssB,SssssBm,SsCH3,SdCH2,SssCH2,StCH,SdsCH,SaaCH,SsssCH,SddC,StsC,SdssC,SaasC,SaaaC,SssssC,SsNH3p,SsNH2,SssNH2p,SdNH,SssNH,SaaNH,StN,SsssNHp,SdsN,SaaN,SsssN,SddsN,SaasN,SssssNp,SsOH,SdO,SssO,SaaO,SaOm,SsOm,SsF,SsSiH3,SssSiH2,SsssSiH,SssssSi,SsPH2,SssPH,SsssP,SdsssP,SddsP,SsssssP,SsSH,SdS,SssS,SaaS,SdssS,SddssS,SssssssS,SSm,SsCl,SsGeH3,SssGeH2,SsssGeH,SssssGe,SsAsH2,SssAsH,SsssAs,SdsssAs,SddsAs,SsssssAs,SsSeH,SdSe,SssSe,SaaSe,SdssSe,SssssssSe,SddssSe,SsBr,SsSnH3,SssSnH2,SsssSnH,SssssSn,SsI,SsPbH3,SssPbH2,SsssPbH,SssssPb,minHBd,minwHBd,minHBa,minwHBa,minHBint2,minHBint3,minHBint4,minHBint5,minHBint6,minHBint7,minHBint8,minHBint9,minHBint10,minHsOH,minHdNH,minHsSH,minHsNH2,minHssNH,minHaaNH,minHsNH3p,minHssNH2p,minHsssNHp,minHtCH,minHdCH2,minHdsCH,minHaaCH,minHCHnX,minHCsats,minHCsatu,minHAvin,minHother,minHmisc,minsLi,minssBe,minssssBem,minsBH2,minssBH,minsssB,minssssBm,minsCH3,mindCH2,minssCH2,mintCH,mindsCH,minaaCH,minsssCH,minddC,mintsC,mindssC,minaasC,minaaaC,minssssC,minsNH3p,minsNH2,minssNH2p,mindNH,minssNH,minaaNH,mintN,minsssNHp,mindsN,minaaN,minsssN,minddsN,minaasN,minssssNp,minsOH,mindO,minssO,minaaO,minaOm,minsOm,minsF,minsSiH3,minssSiH2,minsssSiH,minssssSi,minsPH2,minssPH,minsssP,mindsssP,minddsP,minsssssP,minsSH,mindS,minssS,minaaS,mindssS,minddssS,minssssssS,minSm,minsCl,minsGeH3,minssGeH2,minsssGeH,minssssGe,minsAsH2,minssAsH,minsssAs,mindsssAs,minddsAs,minsssssAs,minsSeH,mindSe,minssSe,minaaSe,mindssSe,minssssssSe,minddssSe,minsBr,minsSnH3,minssSnH2,minsssSnH,minssssSn,minsI,minsPbH3,minssPbH2,minsssPbH,minssssPb,maxHBd,maxwHBd,maxHBa,maxwHBa,maxHBint2,maxHBint3,maxHBint4,maxHBint5,maxHBint6,maxHBint7,maxHBint8,maxHBint9,maxHBint10,maxHsOH,maxHdNH,maxHsSH,maxHsNH2,maxHssNH,maxHaaNH,maxHsNH3p,maxHssNH2p,maxHsssNHp,maxHtCH,maxHdCH2,maxHdsCH,maxHaaCH,maxHCHnX,maxHCsats,maxHCsatu,maxHAvin,maxHother,maxHmisc,maxsLi,maxssBe,maxssssBem,maxsBH2,maxssBH,maxsssB,maxssssBm,maxsCH3,maxdCH2,maxssCH2,maxtCH,maxdsCH,maxaaCH,maxsssCH,maxddC,maxtsC,maxdssC,maxaasC,maxaaaC,maxssssC,maxsNH3p,maxsNH2,maxssNH2p,maxdNH,maxssNH,maxaaNH,maxtN,maxsssNHp,maxdsN,maxaaN,maxsssN,maxddsN,maxaasN,maxssssNp,maxsOH,maxdO,maxssO,maxaaO,maxaOm,maxsOm,maxsF,maxsSiH3,maxssSiH2,maxsssSiH,maxssssSi,maxsPH2,maxssPH,maxsssP,maxdsssP,maxddsP,maxsssssP,maxsSH,maxdS,maxssS,maxaaS,maxdssS,maxddssS,maxssssssS,maxSm,maxsCl,maxsGeH3,maxssGeH2,maxsssGeH,maxssssGe,maxsAsH2,maxssAsH,maxsssAs,maxdsssAs,maxddsAs,maxsssssAs,maxsSeH,maxdSe,maxssSe,maxaaSe,maxdssSe,maxssssssSe,maxddssSe,maxsBr,maxsSnH3,maxssSnH2,maxsssSnH,maxssssSn,maxsI,maxsPbH3,maxssPbH2,maxsssPbH,maxssssPb,sumI,meanI,hmax,gmax,hmin,gmin,LipoaffinityIndex,MAXDN,MAXDP,DELS,MAXDN2,MAXDP2,DELS2,ETA_Alpha,ETA_AlphaP,ETA_dAlpha_A,ETA_dAlpha_B,ETA_Epsilon_1,ETA_Epsilon_2,ETA_Epsilon_3,ETA_Epsilon_4,ETA_Epsilon_5,ETA_dEpsilon_A,ETA_dEpsilon_B,ETA_dEpsilon_C,ETA_dEpsilon_D,ETA_Psi_1,ETA_dPsi_A,ETA_dPsi_B,ETA_Shape_P,ETA_Shape_Y,ETA_Shape_X,ETA_Beta,ETA_BetaP,ETA_Beta_s,ETA_BetaP_s,ETA_Beta_ns,ETA_BetaP_ns,ETA_dBeta,ETA_dBetaP,ETA_Beta_ns_d,ETA_BetaP_ns_d,ETA_Eta,ETA_EtaP,ETA_Eta_R,ETA_Eta_F,ETA_EtaP_F,ETA_Eta_L,ETA_EtaP_L,ETA_Eta_R_L,ETA_Eta_F_L,ETA_EtaP_F_L,ETA_Eta_B,ETA_EtaP_B,ETA_Eta_B_RC,ETA_EtaP_B_RC,FMF,fragC,nHBAcc,nHBAcc2,nHBAcc3,nHBAcc_Lipinski,nHBDon,nHBDon_Lipinski,HybRatio,IC0,IC1,IC2,IC3,IC4,IC5,TIC0,TIC1,TIC2,TIC3,TIC4,TIC5,SIC0,SIC1,SIC2,SIC3,SIC4,SIC5,CIC0,CIC1,CIC2,CIC3,CIC4,CIC5,BIC0,BIC1,BIC2,BIC3,BIC4,BIC5,MIC0,MIC1,MIC2,MIC3,MIC4,MIC5,ZMIC0,ZMIC1,ZMIC2,ZMIC3,ZMIC4,ZMIC5,Kier1,Kier2,Kier3,nAtomLC,nAtomP,nAtomLAC,MLogP,McGowan_Volume,MDEC-11,MDEC-12,MDEC-13,MDEC-14,MDEC-22,MDEC-23,MDEC-24,MDEC-33,MDEC-34,MDEC-44,MDEO-11,MDEO-12,MDEO-22,MDEN-11,MDEN-12,MDEN-13,MDEN-22,MDEN-23,MDEN-33,MLFER_A,MLFER_BH,MLFER_BO,MLFER_S,MLFER_E,MLFER_L,MPC2,MPC3,MPC4,MPC5,MPC6,MPC7,MPC8,MPC9,MPC10,TPC,piPC1,piPC2,piPC3,piPC4,piPC5,piPC6,piPC7,piPC8,piPC9,piPC10,TpiPC,R_TpiPCTPC,PetitjeanNumber,nRing,n3Ring,n4Ring,n5Ring,n6Ring,n7Ring,n8Ring,n9Ring,n10Ring,n11Ring,n12Ring,nG12Ring,nFRing,nF4Ring,nF5Ring,nF6Ring,nF7Ring,nF8Ring,nF9Ring,nF10Ring,nF11Ring,nF12Ring,nFG12Ring,nTRing,nT4Ring,nT5Ring,nT6Ring,nT7Ring,nT8Ring,nT9Ring,nT10Ring,nT11Ring,nT12Ring,nTG12Ring,nHeteroRing,n3HeteroRing,n4HeteroRing,n5HeteroRing,n6HeteroRing,n7HeteroRing,n8HeteroRing,n9HeteroRing,n10HeteroRing,n11HeteroRing,n12HeteroRing,nG12HeteroRing,nFHeteroRing,nF4HeteroRing,nF5HeteroRing,nF6HeteroRing,nF7HeteroRing,nF8HeteroRing,nF9HeteroRing,nF10HeteroRing,nF11HeteroRing,nF12HeteroRing,nFG12HeteroRing,nTHeteroRing,nT4HeteroRing,nT5HeteroRing,nT6HeteroRing,nT7HeteroRing,nT8HeteroRing,nT9HeteroRing,nT10HeteroRing,nT11HeteroRing,nT12HeteroRing,nTG12HeteroRing,nRotB,RotBFrac,nRotBt,RotBtFrac,LipinskiFailures,topoRadius,topoDiameter,topoShape,GGI1,GGI2,GGI3,GGI4,GGI5,GGI6,GGI7,GGI8,GGI9,GGI10,JGI1,JGI2,JGI3,JGI4,JGI5,JGI6,JGI7,JGI8,JGI9,JGI10,JGT,SpMax_D,SpDiam_D,SpAD_D,SpMAD_D,EE_D,VE1_D,VE2_D,VE3_D,VR1_D,VR2_D,VR3_D,TopoPSA,VABC,VAdjMat,MWC2,MWC3,MWC4,MWC5,MWC6,MWC7,MWC8,MWC9,MWC10,TWC,SRW2,SRW3,SRW4,SRW5,SRW6,SRW7,SRW8,SRW9,SRW10,TSRW,MW,AMW,WTPT-1,WTPT-2,WTPT-3,WTPT-4,WTPT-5,WPATH,WPOL,XLogP,Zagreb,TDB1u,TDB2u,TDB3u,TDB4u,TDB5u,TDB6u,TDB7u,TDB8u,TDB9u,TDB10u,TDB1m,TDB2m,TDB3m,TDB4m,TDB5m,TDB6m,TDB7m,TDB8m,TDB9m,TDB10m,TDB1v,TDB2v,TDB3v,TDB4v,TDB5v,TDB6v,TDB7v,TDB8v,TDB9v,TDB10v,TDB1e,TDB2e,TDB3e,TDB4e,TDB5e,TDB6e,TDB7e,TDB8e,TDB9e,TDB10e,TDB1p,TDB2p,TDB3p,TDB4p,TDB5p,TDB6p,TDB7p,TDB8p,TDB9p,TDB10p,TDB1i,TDB2i,TDB3i,TDB4i,TDB5i,TDB6i,TDB7i,TDB8i,TDB9i,TDB10i,TDB1s,TDB2s,TDB3s,TDB4s,TDB5s,TDB6s,TDB7s,TDB8s,TDB9s,TDB10s,TDB1r,TDB2r,TDB3r,TDB4r,TDB5r,TDB6r,TDB7r,TDB8r,TDB9r,TDB10r,PPSA-1,PPSA-2,PPSA-3,PNSA-1,PNSA-2,PNSA-3,DPSA-1,DPSA-2,DPSA-3,FPSA-1,FPSA-2,FPSA-3,FNSA-1,FNSA-2,FNSA-3,WPSA-1,WPSA-2,WPSA-3,WNSA-1,WNSA-2,WNSA-3,RPCG,RNCG,RPCS,RNCS,THSA,TPSA,RHSA,RPSA,GRAV-1,GRAV-2,GRAV-3,GRAVH-1,GRAVH-2,GRAVH-3,GRAV-4,GRAV-5,GRAV-6,LOBMAX,LOBMIN,MOMI-X,MOMI-Y,MOMI-Z,MOMI-XY,MOMI-XZ,MOMI-YZ,MOMI-R,geomRadius,geomDiameter,geomShape,RDF10u,RDF15u,RDF20u,RDF25u,RDF30u,RDF35u,RDF40u,RDF45u,RDF50u,RDF55u,RDF60u,RDF65u,RDF70u,RDF75u,RDF80u,RDF85u,RDF90u,RDF95u,RDF100u,RDF105u,RDF110u,RDF115u,RDF120u,RDF125u,RDF130u,RDF135u,RDF140u,RDF145u,RDF150u,RDF155u,RDF10m,RDF15m,RDF20m,RDF25m,RDF30m,RDF35m,RDF40m,RDF45m,RDF50m,RDF55m,RDF60m,RDF65m,RDF70m,RDF75m,RDF80m,RDF85m,RDF90m,RDF95m,RDF100m,RDF105m,RDF110m,RDF115m,RDF120m,RDF125m,RDF130m,RDF135m,RDF140m,RDF145m,RDF150m,RDF155m,RDF10v,RDF15v,RDF20v,RDF25v,RDF30v,RDF35v,RDF40v,RDF45v,RDF50v,RDF55v,RDF60v,RDF65v,RDF70v,RDF75v,RDF80v,RDF85v,RDF90v,RDF95v,RDF100v,RDF105v,RDF110v,RDF115v,RDF120v,RDF125v,RDF130v,RDF135v,RDF140v,RDF145v,RDF150v,RDF155v,RDF10e,RDF15e,RDF20e,RDF25e,RDF30e,RDF35e,RDF40e,RDF45e,RDF50e,RDF55e,RDF60e,RDF65e,RDF70e,RDF75e,RDF80e,RDF85e,RDF90e,RDF95e,RDF100e,RDF105e,RDF110e,RDF115e,RDF120e,RDF125e,RDF130e,RDF135e,RDF140e,RDF145e,RDF150e,RDF155e,RDF10p,RDF15p,RDF20p,RDF25p,RDF30p,RDF35p,RDF40p,RDF45p,RDF50p,RDF55p,RDF60p,RDF65p,RDF70p,RDF75p,RDF80p,RDF85p,RDF90p,RDF95p,RDF100p,RDF105p,RDF110p,RDF115p,RDF120p,RDF125p,RDF130p,RDF135p,RDF140p,RDF145p,RDF150p,RDF155p,RDF10i,RDF15i,RDF20i,RDF25i,RDF30i,RDF35i,RDF40i,RDF45i,RDF50i,RDF55i,RDF60i,RDF65i,RDF70i,RDF75i,RDF80i,RDF85i,RDF90i,RDF95i,RDF100i,RDF105i,RDF110i,RDF115i,RDF120i,RDF125i,RDF130i,RDF135i,RDF140i,RDF145i,RDF150i,RDF155i,RDF10s,RDF15s,RDF20s,RDF25s,RDF30s,RDF35s,RDF40s,RDF45s,RDF50s,RDF55s,RDF60s,RDF65s,RDF70s,RDF75s,RDF80s,RDF85s,RDF90s,RDF95s,RDF100s,RDF105s,RDF110s,RDF115s,RDF120s,RDF125s,RDF130s,RDF135s,RDF140s,RDF145s,RDF150s,RDF155s,L1u,L2u,L3u,P1u,P2u,E1u,E2u,E3u,Tu,Au,Vu,Ku,Du,L1m,L2m,L3m,P1m,P2m,E1m,E2m,E3m,Tm,Am,Vm,Km,Dm,L1v,L2v,L3v,P1v,P2v,E1v,E2v,E3v,Tv,Av,Vv,Kv,Dv,L1e,L2e,L3e,P1e,P2e,E1e,E2e,E3e,Te,Ae,Ve,Ke,De,L1p,L2p,L3p,P1p,P2p,E1p,E2p,E3p,Tp,Ap,Vp,Kp,Dp,L1i,L2i,L3i,P1i,P2i,E1i,E2i,E3i,Ti,Ai,Vi,Ki,Di,L1s,L2s,L3s,P1s,P2s,E1s,E2s,E3s,Ts,As,Vs,Ks,Ds +UMLMON0001,L,1-Butanol,CCCCO,263,,"Sandia, UML",[6],C4H10O,PubChem,,85,0,-0.9734,0.94750756,18.9987,14.50993,0,0,15,5,10,0,4,0,1,0,0,0,0,0,0,0,843.185125,750.047136,688.541831,506.009998,309.253269,68.616576,3.048192,0,0,2221.295828,2687.923385,3106.605663,2534.97974,1528.181395,609.4474637,93.25123329,0,0,110.69842,106.185288,184.014884,215.18848,152.30358,89.278848,20.155392,0,0,16.24493305,20.26270678,26.24397374,23.44702555,14.42549669,6.274751507,1.333838715,0,0,2541.80523,2097.013603,4030.522174,5140.414147,3661.458992,2188.016594,554.7529561,0,0,56.75,37.5,54.25,56,46,28,3,0,0,56.21234167,53.57479543,27.54167324,16.86699993,14.72634614,5.718048,1.016064,0,0,148.0863886,191.9945275,124.2642265,84.49932466,72.77054261,50.78728864,31.08374443,0,0,7.379894667,7.584663429,7.36059536,7.172949333,7.252551429,7.439904,6.718464,0,0,1.082995537,1.447336198,1.04975895,0.781567518,0.686928414,0.522895959,0.444612905,0,0,169.453682,149.7866859,161.220887,171.3471382,174.3551901,182.3347162,184.917652,0,0,3.783333333,2.678571429,2.17,1.866666667,2.19047619,2.333333333,1,0,0,0.221463872,-0.100613777,-0.030158905,0.016432609,0.011322932,-0.022190869,0.014476074,0,0,476.9038497,-65.66428988,-205.3403696,10.64104747,10.00488171,-34.51124805,46.41805345,0,0,665.1575892,-80.97945498,-321.9485115,-25.78042202,-27.158369,59.52809795,63.75986495,0,0,1.034995733,-0.103350151,-0.159895289,-0.017675733,-0.050654293,-0.223464853,0.037542453,0,0,2.896898448,-0.288018268,-1.322907936,-0.282437247,-0.312574207,0.528072509,0.229415925,0,0,16.06108614,-1.477481838,-7.038127154,-1.840667446,-2.063026849,3.227370407,1.161389809,0,0,23,-3,-3.5,-1,0.25,-5,0.75,0,0,0.014764258,-0.007186698,-0.001206356,5.48E-04,5.39E-04,-0.001849239,0.004825358,0,0,31.79358998,-4.69030642,-8.213614782,0.354701582,0.476422938,-2.875937338,15.47268448,0,0,44.34383928,-5.784246784,-12.87794046,-0.859347401,-1.293255667,4.960674829,21.25328832,0,0,0.068999716,-0.007382154,-0.006395812,-5.89E-04,-0.002412109,-0.018622071,0.012514151,0,0,0.193126563,-0.020572733,-0.052916317,-0.009414575,-0.014884486,0.044006042,0.076471975,0,0,1.070739076,-0.105534417,-0.281525086,-0.061355582,-0.098239374,0.268947534,0.387129936,0,0,1.533333333,-0.214285714,-0.14,-0.033333333,0.011904762,-0.416666667,0.25,0,0,-0.486763256,-0.081707878,0.037099977,0.036519765,-0.125251064,0.326826979,0,0,-0.147523649,-0.258341848,0.011156387,0.014984874,-0.090456515,0.486660503,0,0,-0.130440821,-0.290411039,-0.019379184,-0.029164269,0.111868411,0.479283902,0,0,-0.106988175,-0.092693303,-0.008539037,-0.034958249,-0.269886201,0.181365257,0,0,-0.106524618,-0.273998131,-0.048748213,-0.077071149,0.227861158,0.395968186,0,0,-0.098562217,-0.262925948,-0.057302085,-0.091749125,0.251179339,0.361553944,0,0,-0.139751553,-0.091304348,-0.02173913,0.007763975,-0.27173913,0.163043478,0,0,1.375356834,0.821897727,0.682609768,0.955591794,1.778836743,1.101933178,0,0,1.394650417,1.268349503,0.82002349,0.832984371,0.972731675,0,0,0,1.611680217,1.411508446,0.860363598,0.777814511,0.416979426,0,0,0,1.046261318,0.923104559,0.747867302,1.037829721,1.920357031,0,0,0,1.696559902,1.438220674,0.874263773,0.785729024,0.213701818,0,0,0,1.704790797,1.431225051,0.874997207,0.796152674,0.198598347,0,0,0,1.086956522,0.919130435,0.755797101,1,1.927536232,0,0,0,15.58105062,7.915525311,12.90613438,15.73105062,3.146210125,7.916384149,0.25,0.042274287,0.008454857,-1.581788125,20.35201016,4.070402032,1.506589843,15.5839676,7.916616588,12.90787342,15.73352694,3.146705389,7.91747431,0.249265579,0.042152822,0.008430564,-1.583226827,20.37612714,4.075225429,1.507181989,18.17335956,8.88718254,14.62523348,17.93396287,3.586792574,8.887473149,-0.398994478,0.067863368,0.013572674,-1.345129442,18.45809032,3.691618063,1.457751387,15.58702903,7.917761913,12.90969902,15.73612591,3.147225181,7.918618465,0.2484948,0.042025321,0.008405064,-1.58474148,20.4015556,4.08031112,1.507805576,20.92491722,9.921311478,16.81537439,20.27554066,4.055108132,9.921410763,-1.082294264,0.165794853,0.033158971,-0.89850204,16.8959111,3.379182221,1.413535823,15.88658753,8.029860858,13.0905476,15.99046804,3.198093608,8.030611345,0.173134186,0.029457388,0.005891478,-1.762405261,23.67108217,4.734216433,1.582127071,15.0798354,7.873251034,13.0596608,15.4798354,3.09596708,7.87430683,0.666666667,0.07956853,0.015913706,-1.265568308,15.27104498,3.054208996,1.362979275,0,11.99646149,15.99794197,-0.421714133,0.069647739,3.787719458,5.991011473,4,14,14,14,4,0,0,0,0,0,10.93207,3.373406743,2.825330819,2.096684625,1.461330604,1.128640555,0.083923071,0.083923071,0.083923071,1.817379449,1.40522295,0.924562135,0.599915497,0.386668987,0.083923071,0.083923071,0.083923071,3.379324769,2.790711346,2.051643082,1.457496366,1.156467033,0.270913902,0.270913902,0.270913902,1.763125472,1.353771324,0.851363369,0.484188864,0.313824953,0.270913902,0.270913902,0.270913902,3.540932969,3.055207466,2.435249073,1.941863579,1.712950339,0.943918427,0.943918427,0.943918427,1.547645076,1.030923922,0.407980321,0.049432259,0.301168549,0.943918427,0.943918427,0.943918427,3.397390649,2.806465896,2.075989672,1.507823945,1.189855004,0.399277246,0.399277246,0.399277246,1.729770649,1.322120441,0.80419374,0.410376,0.234438588,0.399277246,0.399277246,0.399277246,3.602427822,3.132201332,2.547487102,2.101334039,1.896289791,1.207644823,1.207644823,1.207644823,1.486825757,0.948908366,0.287628636,0.218036002,0.473196859,1.207644823,1.207644823,1.207644823,4.359181399,3.353072127,2.656208105,1.931392827,1.528813409,0.615384615,0.615384615,0.615384615,1.6342312,1.07411322,0.517367472,0.165020013,0.331294806,0.615384615,0.615384615,0.615384615,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,3.568533939,2.023334547,1.077160188,0.511667274,0.158113883,0,0,0,0.713706788,0.505833637,0.359053396,0.255833637,0.158113883,0,0,0,7.423938123,14.76984705,13.97647059,14.2,8.473011976,116.5531018,0.494929208,0.98465647,0.931764706,0.946666667,0.564867465,7.770206786,0.7788,21.9938,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,1,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.736388889,0,8.06625,0,0,0,0,0,0,0,0,0,0,0.736388889,0,0,0,0,0,0,0,0,0,0,0,0,0,1.263611111,0,0,0,0,0,0,0,0,0,0,0,2.051805556,0,2.381944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.06625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.736388889,0,8.06625,0,0,0,0,0,0,0,0,0,0,0.736388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,2.051805556,0,0.34375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.06625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.736388889,0,8.06625,0,0,0,0,0,0,0,0,0,0,0.736388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.051805556,0,1.09375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.06625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.5,2.5,0.736388889,8.06625,0.24,0.34375,2.034477222,1.15625,2.06625,4.236111111,1.15625,2.06625,4.236111111,2.33333,0.46667,0,0.03333,0.48444,0.85333,0.41765,0.48444,0.76111,0.0668,0,-0.0668,0.09222,0.54687,0.16742,0,0.35714,0,0,2.25,0.45,2.25,0.45,0,0,-2.25,-0.45,0,0,3.42343,0.68469,4.09272,0.66929,0.13386,2.07596,0.41519,2.41421,0.33826,0.06765,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4.01,1,1,1,1,1,1,1,1.158938532,1.871602261,2.923231429,3.056564762,2.605788524,2.020934564,17.38407799,28.07403392,43.84847143,45.84847143,39.08682786,30.31401845,0.296639618,0.479051618,0.748224543,0.782352279,0.666972484,0.517274419,2.747952063,2.035288334,0.983659167,0.850325833,1.301102071,1.885956032,0.304394667,0.491575464,0.767785376,0.802805314,0.684409144,0.530797523,10.66110191,15.77621224,18.30169377,16.97044711,15.11875186,8.8032914,18.1875248,14.100286,12.79750363,13.83934112,11.22434889,6.850389104,5,4,4,5,0,4,1.79,0.7309,0,1.650963624,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.385,0.375,0.449,0.205,2.62,3,2,1,0,0,0,0,0,0,15,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,0,0,2.772588722,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.5,4,1,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,20.23,86.5306239,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,74.07316494,4.938210996,8.849873734,1.769974747,2.362436867,2.362436867,0,20,2,0.851,14,1.209285714,2.097852699,2.802889813,3.435509375,4.700723838,4.960986366,0,0,0,0,76.07321488,64.49502832,57.54419705,66.53786126,28.81132937,5.040679651,0,0,0,0,256.146358,277.922541,256.3916296,288.2198231,244.9540464,154.2060323,0,0,0,0,9.195663069,15.50174037,20.19157947,25.37015006,35.33531078,33.3302083,0,0,0,0,1.87702597,2.303263075,2.285379279,2.562517652,2.465664944,2.205718559,0,0,0,0,178.755922,335.1714249,477.8660488,590.3531373,857.3437606,917.3739505,0,0,0,0,3.313392857,4.682994383,5.467251177,8.673297838,11.62481735,4.960986366,0,0,0,0,0.417144579,0.524334944,0.536461801,0.64135583,0.668289869,0.508005004,0,0,0,0,323.6297928,176.355474,16.30006711,167.566408,-91.31190632,-22.58662632,156.0633847,267.6673803,38.88669344,0.658860537,0.359032651,0.033184432,0.341139463,-0.185897013,-0.045982901,158.9657247,86.62513883,8.006531038,82.30798301,-44.85206147,-11.09446504,0.384863517,0.726159519,13.29882006,27.31854242,419.0209812,72.1752196,0.853062342,0.146937658,283.9246063,16.8500625,6.572556742,389.1388631,19.72660293,7.300762184,396.9481567,19.92355783,7.34927666,1.902541647,1.902541647,257.2527102,241.6123145,28.99894346,1.064733438,8.871106305,8.331762665,3.213164655,3.220194404,5.518792456,0.713807231,3.224442391,3.228352994,3.300854476,9.519065378,3.396591357,0.093761667,2.839393096,4.428327212,0.957153261,2.036328689,1.76E-10,3.08E-42,1.04E-95,6.80E-171,8.56E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290510157,3.355246562,0.300972894,2.297657719,0.025975326,0.023726242,0.34105391,0.194190715,0.133717689,0.216562637,1.96E-11,3.44E-43,1.16E-96,7.60E-172,9.57E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.81835312,3.119021011,0.71493495,2.770282347,0.254564647,0.018976335,0.636498796,0.73049226,0.131717498,0.381618839,3.40E-11,5.96E-43,2.02E-96,1.32E-171,1.66E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.266568655,3.354890369,3.606201414,8.970129942,3.027715508,0.091348411,3.300700798,4.083943143,0.894944248,2.51910812,2.21E-10,3.87E-42,1.31E-95,8.54E-171,1.07E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.139201109,3.029262083,0.916235511,3.350983291,0.547896848,0.021814432,0.728049073,1.188207541,0.183336436,0.387045622,3.37E-11,5.91E-43,2.00E-96,1.30E-171,1.64E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.074611356,3.308579144,4.464332488,12.82309986,4.946913721,0.131044127,3.950430227,5.95734363,1.372053915,2.973853707,2.56E-10,4.50E-42,1.52E-95,9.93E-171,1.25E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.20739713,3.998451051,4.605003377,6.304014578,1.291534239,0.088302127,5.048163791,2.26515694,0.761689797,4.426730606,3.99E-10,7.00E-42,2.37E-95,1.54E-170,1.94E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.104441872,0.78641944,0.44182761,0.716516216,0.181508401,0.576245927,0.594575939,0.533317806,4.332688922,4.160483392,9.571847342,0.574774324,1.704139672,3.36698612,0.301284008,0.090126323,0.895857093,0.080162913,0.677266333,0.085943812,0.022191348,3.758396452,1.345026772,5.194849085,0.84378564,0.785401493,2.938599034,0.513967512,0.241847197,0.795416875,0.139120182,0.516295335,0.253968102,0.159794747,3.694413744,2.345337977,6.40502429,0.693125312,0.930058184,3.2066033,0.761186791,0.423547943,0.730210992,0.173338237,0.614349862,0.556610173,0.490100939,4.391338034,4.121373408,9.546517459,0.595316487,1.661060974,2.832999009,0.609286106,0.312306376,0.754542542,0.162277603,0.480727587,0.355730608,0.266466172,3.754591491,2.801154526,7.094820219,0.631813813,1.102924367,3.158375872,0.815250757,0.463012791,0.711884734,0.183754117,0.596282243,0.638980155,0.585688044,4.43663942,4.414708278,10.04354467,0.5678271,1.820950441,3.213782887,0.762421491,0.424669256,0.730260206,0.173243214,0.617115045,0.558451698,0.492699389,4.400873634,4.138828895,9.580251406,0.595390309,1.668266132 +UMLMON0002,L,Ethanol,CCO,702,,"Sandia, UML",[6],C2H6O,PubChem,,90,0,-0.1076,0.01157776,12.5551,8.322758,0,0,9,3,6,0,2,0,1,0,0,0,0,0,0,0,550.592627,413.090542,301.124757,68.616576,3.048192,0,0,0,0,1249.927047,1381.943116,1279.511439,609.4474637,93.25123329,0,0,0,0,68.743532,62.633728,98.555868,89.278848,20.155392,0,0,0,0,8.888681429,10.23072954,10.86859345,6.274751507,1.333838715,0,0,0,0,1548.54591,1230.9347,2182.117776,2188.016594,554.7529561,0,0,0,0,48.25,27,38,28,3,0,0,0,0,61.17695856,51.63631775,23.16344285,5.718048,1.016064,0,0,0,0,138.880783,172.7428895,98.42395687,50.78728864,31.08374443,0,0,0,0,7.638170222,7.829216,7.581220615,7.439904,6.718464,0,0,0,0,0.98763127,1.278841192,0.83604565,0.522895959,0.444612905,0,0,0,0,172.0606567,153.8668375,167.8552136,182.3347162,184.917652,0,0,0,0,5.361111111,3.375,2.923076923,2.333333333,1,0,0,0,0,0.212328611,-0.099523291,-0.015583991,-0.006955538,0.015898515,0,0,0,0,314.7756536,-63.89650894,-116.86383,-27.32296963,50.69548181,0,0,0,0,363.4566524,-88.00132618,-193.0207684,42.54529023,56.74847822,0,0,0,0,0.966731556,-0.138220938,-0.184296691,-0.230362963,0.069514815,0,0,0,0,1.521513891,-0.379058755,-0.895815807,0.344245746,0.169871871,0,0,0,0,8.524803221,-2.095152562,-5.003585488,2.03320091,0.80313553,0,0,0,0,21.55555556,-4.382716049,-2.663580247,-5.296296296,1.564814815,0,0,0,0,0.023592068,-0.012440411,-0.001198769,-5.80E-04,0.005299505,0,0,0,0,34.97507262,-7.987063617,-8.989525387,-2.276914136,16.89849394,0,0,0,0,40.38407248,-11.00016577,-14.84775142,3.545440852,18.91615941,0,0,0,0,0.107414617,-0.017277617,-0.014176669,-0.019196914,0.023171605,0,0,0,0,0.169057099,-0.047382344,-0.068908908,0.028687145,0.056623957,0,0,0,0,0.947200358,-0.26189407,-0.384891191,0.169433409,0.267711843,0,0,0,0,2.395061728,-0.547839506,-0.204890788,-0.441358025,0.521604938,0,0,0,0,-0.527313308,-0.050812357,-0.024568774,0.224630796,0,0,0,0,-0.228364461,-0.25702664,-0.065101055,0.483158223,0,0,0,0,-0.272388719,-0.367663549,0.087793049,0.468406435,0,0,0,0,-0.160849777,-0.131980813,-0.178717888,0.215721152,0,0,0,0,-0.280274207,-0.407607304,0.169689091,0.334939835,0,0,0,0,-0.276492791,-0.406346121,0.178878109,0.282634863,0,0,0,0,-0.228737113,-0.085547185,-0.184278351,0.217783505,0,0,0,0,1.362086589,0.843193013,1.018268754,0.640857691,0,0,0,0,1.343757467,1.164942368,0.842140789,0,0,0,0,0,1.710703317,1.313971252,0.436062266,0,0,0,0,0,1.071077068,1.025644043,1.174834241,0,0,0,0,0,1.907253819,1.380918473,0.232502442,0,0,0,0,0,1.929307462,1.384601509,0.213810057,0,0,0,0,0,1.136597938,0.984932593,1.175257732,0,0,0,0,0,4.730475337,2.490237669,4.158938287,4.81380867,1.60460289,2.625920833,0.25,0.039532628,0.013177543,-0.969188679,5.769144711,1.923048237,0.525757152,4.732622817,2.490944198,4.16047066,4.815711343,1.605237114,2.626501376,0.249265579,0.039389126,0.013129709,-0.970279649,5.778099001,1.926033,0.526222421,6.642353015,3.121679268,5.787958589,6.509354855,2.169784952,3.185504841,-0.398994478,0.02741894,0.009139647,-1.078956376,5.910236074,1.970078691,0.533005733,4.734876667,2.491685733,4.162079956,4.817708267,1.605902756,2.627110844,0.2484948,0.039238659,0.013079553,-0.971427844,5.787544407,1.929181469,0.526712428,8.671219128,3.794462432,7.741981671,8.310454374,2.770151458,3.825778388,-1.082294264,0.034659876,0.011553292,-1.008651773,4.697206729,1.565735576,0.464090406,4.955509715,2.56432195,4.324553094,5.01322111,1.671073703,2.687570852,0.173134186,0.025291661,0.008430554,-1.103184163,7.024877856,2.341625952,0.584837348,3.685520208,2.176093437,3.518853542,3.90774243,1.30258081,2.390542919,0.666666667,0.190604592,0.063534864,-0.497266259,3.74944391,1.249814637,0.396482262,0,11.99668808,15.99794144,-0.422125211,0.066940864,3.312473146,4.351780764,2,8,8,8,2,0,0,0,0,0,6.559242,3.159863642,2.133604852,1.244091518,0.083923071,0.083923071,0.083923071,0.391069962,0.911191698,1.651500167,0.911191698,0.391069962,0.083923071,0.083923071,0.083923071,1.244091518,2.133604852,3.122199848,2.025860671,1.192988938,0.270913902,0.270913902,0.270913902,0.33638398,0.8681387,1.608985968,0.8681387,0.33638398,0.270913902,0.270913902,0.270913902,1.192988938,2.025860671,3.353704786,2.463557672,1.770563932,0.943918427,0.943918427,0.943918427,0.287845774,0.386634713,1.326619389,0.386634713,0.287845774,0.943918427,0.943918427,0.943918427,1.770563932,2.463557672,3.133535153,2.034425485,1.20896877,0.399277246,0.399277246,0.399277246,0.275176497,0.840005264,1.58367639,0.840005264,0.275176497,0.399277246,0.399277246,0.399277246,1.20896877,2.034425485,3.417682016,2.562928599,1.93180127,1.207644823,1.207644823,1.207644823,0.449104874,0.271694726,1.257501492,0.271694726,0.449104874,1.207644823,1.207644823,1.207644823,1.93180127,2.562928599,4.148507172,2.890490184,1.719796312,0.571428571,0.571428571,0.571428571,0.270744147,0.49630498,1.390375691,0.49630498,0.270744147,0.571428571,0.571428571,0.571428571,1.719796312,2.890490184,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.707106781,1.414213562,0.707106781,0,0,0,0,0,0.902368927,0.707106781,0.707106781,0,0,0,0,0,2.154320377,1.023334547,0.316227766,0,0,0,0,0,0.718106792,0.511667274,0.316227766,0,0,0,0,0,4.340282516,8.994173343,8.525490196,8.68,4.875902994,70.49659162,0.482253613,0.999352594,0.947276688,0.964444444,0.541766999,7.832954624,-0.0014,12.7598,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,6,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.838888889,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0.838888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.761111111,0,0,0,0,0,0,0,0,0,0,0,1.680555556,0,0.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.838888889,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0.838888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,1.680555556,0,0.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.838888889,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0.838888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.680555556,0,0.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.5,3.166666667,0.838888889,7.569444444,0.311111111,0.25,0.8465,1.25,1.569444444,3.138888889,1.25,1.569444444,3.138888889,1.33333,0.44444,0,0.05556,0.51852,0.95556,0.40909,0.51852,0.79167,0.10943,0,-0.10943,0.16389,0.46511,0.24918,0,0.625,0,0,1.25,0.41667,1.25,0.41667,0,0,-1.25,-0.41667,0,0,1.38742,0.46247,1.91421,0.52679,0.1756,1.05409,0.35136,1.41421,0.36012,0.12004,0,0,0,0,0,2.01,1,1,1,1,1,1,1,1.224394445,1.879964949,2.419381946,2.067168057,0.880534723,0,11.01955001,16.91968454,21.77443751,18.60451251,7.924812504,0,0.386253443,0.593062911,0.763230027,0.652118916,0.277777778,0,1.945530556,1.289960053,0.750543056,1.102756945,2.289390279,3.169925001,0.408131482,0.626654983,0.806460649,0.689056019,0.293511574,0,11.81312432,14.91653023,15.46016819,11.23360152,0.887424935,0,10.94402779,9.752038633,9.945865283,7.832581948,1.93717639,0,3,2,0,3,0,2,1.57,0.4491,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.385,0.375,0.449,0.205,1.622,1,0,0,0,0,0,0,0,0,6,1.098612289,0.693147181,0,0,0,0,0,0,0,0,1.945910149,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,1,0,1,2,1,0.5,0,0,0,0,0,0,0,0,0,0.25,0,0,0,0,0,0,0,0,0,0.25,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,20.23,51.93865465,2.584962501,1.945910149,2.197224577,2.564949357,2.833213344,3.218875825,3.496507561,3.891820298,4.17438727,4.574710979,33.89759936,1.609437912,0,2.197224577,0,2.833213344,0,3.496507561,0,4.17438727,4.852030264,46.04186481,5.115762757,4.914213562,1.638071187,2.207106781,2.207106781,0,4,0,-0.076,6,1.179,2.039621484,2.690252074,2.585857014,0,0,0,0,0,0,71.46196751,52.41409996,15.50586807,2.627396221,0,0,0,0,0,0,223.1511392,210.8454762,135.2663874,80.37811856,0,0,0,0,0,0,9.260396696,15.56323393,20.09991093,17.37298726,0,0,0,0,0,0,1.603234363,1.754174552,1.384289066,1.149705399,0,0,0,0,0,0,179.3332147,340.3084459,491.758025,478.1706075,0,0,0,0,0,0,4.107,6.269674325,6.420524916,2.585857014,0,0,0,0,0,0,0.382271138,0.444686467,0.373633365,0.264791758,0,0,0,0,0,0,298.7437975,130.7948074,15.7399288,107.7993422,-47.19627428,-19.16417319,190.9444552,177.9910817,34.90410199,0.734839106,0.321724301,0.038716503,0.265160894,-0.116091676,-0.047139335,121.4522414,53.17373165,6.398960071,43.82508304,-19.18732153,-7.791063138,0.478992453,0.904455144,13.48908246,37.42616424,337.0019819,69.54115779,0.828945194,0.171054806,159.761468,12.63967832,5.426136078,226.2275805,15.04086369,6.093243262,194.2362104,13.93686516,5.791308925,1.246666748,1.090791249,59.27156138,50.14278498,15.82885798,1.182055632,3.744525438,3.167808128,2.219699476,2.151830091,3.096569067,0.439039765,2.108840177,1.333680365,2.703243702,0.34122013,4.709543889,1.71E-07,7.15E-36,5.78E-86,8.99E-158,2.70E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.196885394,1.458312793,0.256709768,0.192020866,0.115613464,1.91E-08,8.00E-37,6.46E-87,1.01E-158,3.02E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.516120971,1.222238178,0.568159037,0.119127664,0.440305257,3.31E-08,1.39E-36,1.12E-86,1.74E-158,5.23E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.213531168,1.459969432,3.046176936,0.37723783,4.48345045,2.15E-07,8.98E-36,7.25E-86,1.13E-157,3.39E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.69376653,1.13267509,0.695984081,0.100706218,0.776250224,3.28E-08,1.37E-36,1.11E-86,1.72E-158,5.18E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.727360118,1.414950657,3.723437008,0.462486214,6.870082256,2.50E-07,1.04E-35,8.44E-86,1.31E-157,3.95E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.2191444,2.054710013,3.67844634,0.66748152,2.822856921,3.35E-07,1.40E-35,1.13E-85,1.76E-157,5.29E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.065241611,0.726116837,0.369336683,0.493008752,0.336057052,0.720983372,0.532985397,0.444427299,2.160695131,1.435104257,3.88147757,0.243598707,1.698396068,1.181393591,0.271029468,0.072730521,0.774606313,0.177706344,0.762014049,0.067458172,0.017234125,1.52515358,0.425827962,1.974269308,0.661909469,0.846706346,0.988721554,0.483275124,0.207480959,0.588707781,0.287753236,0.593756192,0.231844115,0.140253055,1.679477637,0.783235814,2.561852943,0.383061672,0.965853362,1.105275958,0.699305181,0.348849548,0.513262843,0.324740046,0.727510236,0.480281895,0.396489936,2.153430688,1.40245252,3.825517816,0.269894265,1.604282067,0.950314392,0.569455504,0.272197704,0.530318959,0.317782254,0.608255515,0.330915281,0.241393046,1.7919676,0.954839638,2.894110227,0.295478438,1.180563843,1.087144233,0.749813252,0.38394547,0.48950551,0.337616396,0.738982019,0.565250844,0.480280478,2.220902956,1.520446659,4.054324743,0.240682859,1.784513342,1.102789892,0.700746855,0.350245722,0.512024732,0.325356374,0.726813979,0.483250842,0.399669968,2.153782468,1.404457578,3.828901726,0.268037099,1.609734789 +UMLMON0003,L,Methanol,CO,887,,"Sandia, UML",[11],CH4O,PubChem,,89,0,-0.358,0.128164,8.2613,5.229172,0,0,6,2,4,0,1,0,1,0,0,0,0,0,0,0,404.296378,244.612245,63.536256,3.048192,0,0,0,0,0,764.2426564,728.9529818,454.0287415,93.25123329,0,0,0,0,0,47.766088,40.857948,55.686528,20.155392,0,0,0,0,0,5.210555619,5.214740916,4.051686983,1.333838715,0,0,0,0,0,1051.91625,797.8952482,1263.428334,554.7529561,0,0,0,0,0,44,24,23,3,0,0,0,0,0,67.38272967,48.922449,9.076608,1.016064,0,0,0,0,0,127.3737761,145.7905964,64.86124879,31.08374443,0,0,0,0,0,7.961014667,8.1715896,7.955218286,6.718464,0,0,0,0,0,0.868425937,1.042948183,0.578812426,0.444612905,0,0,0,0,0,175.319375,159.5790496,180.489762,184.917652,0,0,0,0,0,7.333333333,4.8,3.285714286,1,0,0,0,0,0,0.212264811,-0.091355781,-0.047677616,0.032900991,0,0,0,0,0,233.1814173,-61.77513911,-111.1229059,56.30733633,0,0,0,0,0,211.4578948,-96.9700467,-57.31729009,48.55838938,0,0,0,0,0,0.905117333,-0.186389778,-0.389390222,0.123221333,0,0,0,0,0,0.808707478,-0.497045051,-0.015307557,0.10799887,0,0,0,0,0,4.571362259,-2.898124217,0.164475656,0.447967432,0,0,0,0,0,20,-4,-9,3,0,0,0,0,0,0.035377469,-0.018271156,-0.006811088,0.010966997,0,0,0,0,0,38.86356956,-12.35502782,-15.87470084,18.76911211,0,0,0,0,0,35.24298247,-19.39400934,-8.188184299,16.18612979,0,0,0,0,0,0.150852889,-0.037277956,-0.055627175,0.041073778,0,0,0,0,0,0.13478458,-0.09940901,-0.002186794,0.035999623,0,0,0,0,0,0.76189371,-0.579624843,0.023496522,0.149322477,0,0,0,0,0,3.333333333,-0.8,-1.285714286,1,0,0,0,0,0,-0.516463074,-0.192526156,0.309999488,0,0,0,0,0,-0.317907695,-0.408472537,0.482948744,0,0,0,0,0,-0.550294214,-0.232335169,0.459272419,0,0,0,0,0,-0.247114628,-0.368751139,0.272277038,0,0,0,0,0,-0.737539936,-0.016224363,0.267090073,0,0,0,0,0,-0.760768643,0.030839633,0.195988594,0,0,0,0,0,-0.24,-0.385714286,0.3,0,0,0,0,0,1.312730146,1.080870425,0.290085433,0,0,0,0,0,1.294769238,1.218021973,0,0,0,0,0,0,1.875735535,0.803046046,0,0,0,0,0,0,1.117786571,1.344438164,0,0,0,0,0,0,2.34384984,0.468678686,0,0,0,0,0,0,2.401921607,0.427198852,0,0,0,0,0,0,1.1,1.357142857,0,0,0,0,0,0,1.520690633,0.885345316,1.520690633,1.520690633,0.760345316,1.374619918,0.25,0.116645086,0.058322543,-0.429723881,1.423933815,0.711966908,0.070684667,1.522019058,0.885642318,1.522019058,1.522019058,0.761009529,1.374663895,0.249265579,0.116197865,0.058098933,-0.430492162,1.42385866,0.71192933,0.07067411,2.82629418,1.213649851,2.82629418,2.82629418,1.41314709,1.518441839,-0.398994478,0.100074773,0.050037387,-0.460367528,1.421348848,0.710674424,0.070321263,1.523413905,0.885954353,1.523413905,1.523413905,0.761706953,1.374710416,0.2484948,0.11572933,0.057864665,-0.431300235,1.423780245,0.711890122,0.070663096,4.302924411,1.610315073,4.302924411,4.302924411,2.151462206,1.803703154,-1.082294264,0.179302178,0.089651089,-0.343736551,1.437509777,0.718754888,0.072582459,1.662769901,0.917952044,1.662769901,1.662769901,0.831384951,1.381024879,0.173134186,0.073727015,0.036863508,-0.521477199,1.418072904,0.709036452,0.069859768,0.942809042,0.804737854,0.942809042,0.942809042,0.471404521,1.412728607,0.666666667,0.5411961,0.27059805,-0.122794718,1.681792831,0.840896415,0.103972077,0,11.99697344,15.99794118,-0.425376469,0.058873558,2.666419116,3.111580884,1,5,5,5,1,0,0,0,0,0,4.372828,2.895253422,1.467222867,0.083923071,0.083923071,0.422129468,1.440471707,0,0,1.440471707,0.422129468,0.083923071,0.083923071,1.467222867,2.895253422,0,0,2.78828793,1.301659972,0.270913902,0.270913902,0.412515058,1.420805936,0,0,1.420805936,0.412515058,0.270913902,0.270913902,1.301659972,2.78828793,0,0,3.124589437,1.910087997,0.943918427,0.943918427,0.227544262,1.043722059,0,0,1.043722059,0.227544262,0.943918427,0.943918427,1.910087997,3.124589437,0,0,2.786516176,1.285682826,0.399277246,0.399277246,0.385003765,1.408401225,0,0,1.408401225,0.385003765,0.399277246,0.399277246,1.285682826,2.786516176,0,0,3.190334858,2.034113601,1.207644823,1.207644823,0.364834772,0.964607512,0,0,0.964607512,0.364834772,1.207644823,1.207644823,2.034113601,3.190334858,0,0,3.822102613,2.143230483,0.5,0.5,0.162376365,1.127709461,0,0,1.127709461,0.162376365,0.5,0.5,2.143230483,3.822102613,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,1,0,0,0,0,0,0,1,1,0,0,0,0,0,0,1.447213595,0.447213595,0,0,0,0,0,0,0.723606798,0.447213595,0,0,0,0,0,0,2.798454712,6.106336489,5.8,5.92,3.077348503,47.46833653,0.466409119,1.017722748,0.966666667,0.986666667,0.512891417,7.911389421,-0.3915,8.1428,1,2,2,1,1.407605964,0,0,0,1.414213562,0.707106781,0.069314718,2,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.95,0,7,0,0,0,0,0,0,0,0,0,0,0.95,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.95,0,7,0,0,0,0,0,0,0,0,0,0,0.95,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.95,0,7,0,0,0,0,0,0,0,0,0,0,0.95,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,4,0.95,7,0.45,1,0.432,1,1,2,1,1,2,0.83333,0.41667,0,0.08334,0.56111,1.08334,0.4,0.56111,0.82222,0.16111,0,-0.16111,0.26111,0.38461,0.32968,0,1,0,0,0.75,0.375,0.75,0.375,0,0,-0.75,-0.375,0,0,0.54433,0.27216,1,0.45567,0.22784,0.54433,0.27216,1,0.45567,0.22784,0,0,0,0,0,1.01,1,1,1,1,1,1,1,1.251629167,1.79248125,1.79248125,0.930827083,0,0,7.509775004,10.7548875,10.7548875,5.584962501,0,0,0.484196257,0.693426404,0.693426404,0.36009307,0,0,1.333333333,0.79248125,0.79248125,1.654135417,2.584962501,2.584962501,0.539047342,0.771979655,0.771979655,0.400885404,0,0,12.45399398,12.99907825,12.99907825,0.938110835,0,0,7.59147917,7.962406252,7.962406252,1.930827083,0,0,2,0,0,1,0,0,1.46,0.3082,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.385,0.375,0.449,0.205,1.123,0,0,0,0,0,0,0,0,0,3,0.693147181,0,0,0,0,0,0,0,0,0,1.386294361,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,2,2,1,1.407605964,0,0,0,1.414213562,0.707106781,0.069314718,20.23,34.64267003,2,1.098612289,1.098612289,1.098612289,1.098612289,1.098612289,1.098612289,1.098612289,1.098612289,1.098612289,12.8875106,1.098612289,0,1.098612289,0,1.098612289,0,1.098612289,0,1.098612289,2.564949357,32.02621475,5.337702458,3,1.5,2,2,0,1,0,-0.499,2,1.1366,1.935542304,2.458364266,0,0,0,0,0,0,0,65.00622117,18.26778853,2.497855429,0,0,0,0,0,0,0,176.9578328,127.8001557,76.41516655,0,0,0,0,0,0,0,9.351023774,15.52859921,16.51643182,0,0,0,0,0,0,0,1.219926115,1.123193053,1.093020477,0,0,0,0,0,0,0,180.1414244,349.4267527,454.5949478,0,0,0,0,0,0,0,5.8308,6.596882011,2.458364266,0,0,0,0,0,0,0,0.33344832,0.325796136,0.251736501,0,0,0,0,0,0,0,261.5449188,104.3425331,17.3715687,82.61718636,-32.95986992,-32.95986992,178.9277324,137.302403,50.33143862,0.759946882,0.303178449,0.050474961,0.240053118,-0.095768446,-0.095768446,90.01384984,35.91074584,5.978635654,28.43370478,-11.34353822,-11.34353822,0.524707104,1,17.43460902,82.61718636,228.3176023,115.8445029,0.663401342,0.336598658,97.6798989,9.883314166,4.605411069,144.7719392,12.03212114,5.250832088,97.6798989,9.883314166,4.605411069,1.24880221,1.24880221,20.56735502,19.8374098,4.100793719,1.036796398,5.01545711,4.83745615,1.526238185,1.920479602,2.658420877,0.384248431,1.55103907,0.382801071,3.803393005,0.162582422,1.71E-05,3.48E-31,1.37E-78,1.03E-147,1.51E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.150073012,0.509820955,0.318973065,0.001145082,1.21E-07,2.45E-33,9.62E-81,7.27E-150,1.06E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.365004897,0.273586727,0.672649686,0.01193263,1.26E-06,2.56E-32,1.00E-79,7.58E-149,1.10E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.687012425,0.509352231,4.292833729,0.144858012,1.53E-05,3.10E-31,1.22E-78,9.20E-148,1.34E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.471049241,0.183816763,0.811358085,0.025919267,2.73E-06,5.55E-32,2.18E-79,1.65E-148,2.40E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.053734499,0.462969311,5.418696998,0.237111183,2.50E-05,5.08E-31,1.99E-78,1.51E-147,2.20E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.489857088,1.148234846,4.08306532,0.04064561,4.28E-06,8.71E-32,3.41E-79,2.58E-148,3.76E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844851144,0.299652649,0.278723025,0.593616655,0.21054455,0.552303319,0.326717962,0.333333333,1.423226818,0.572161443,2.065950307,0.390424983,1.212354615,0.709626536,0.091001624,0.052609602,0.831686745,0.106654473,0.585009612,0.033838791,0.011875806,0.853237762,0.106697896,0.963333036,0.747530117,0.630724209,0.672880327,0.210057973,0.161896368,0.644006509,0.201044222,0.387193901,0.194546606,0.112462378,1.044834668,0.284288381,1.352006109,0.466009763,0.694202885,0.839156786,0.296322764,0.258510287,0.601981998,0.212571682,0.557139413,0.341891149,0.286740283,1.393989837,0.542194402,2.000465732,0.402972996,1.185770846,0.706874105,0.241332494,0.216981135,0.606661128,0.207118979,0.390313808,0.219024545,0.202011923,1.165187734,0.376334634,1.578537547,0.409991692,0.811350276,0.865681689,0.308496199,0.286875063,0.592505349,0.211146488,0.579902852,0.346356308,0.353117018,1.461052951,0.603901866,2.141567531,0.388758023,1.279376178,0.837859059,0.29634228,0.261302836,0.600398819,0.212354994,0.552789334,0.337855044,0.29296875,1.395504175,0.544663091,2.005046948,0.400598229,1.183613128 +UMLMON0004,L,n-Propanol,CCCO,1031,,"Sandia, UML",[6],C3H8O,PubChem,,89,0,-0.6854,0.46977316,16.0871,11.416344,0,0,12,4,8,0,3,0,1,0,0,0,0,0,0,0,696.888876,581.568839,494.833294,309.253269,68.616576,3.048192,0,0,0,1735.611438,2034.933251,2193.058551,1528.181395,609.4474637,93.25123329,0,0,0,89.720976,84.409508,141.285376,152.30358,89.278848,20.155392,0,0,0,12.56680724,15.24671816,18.5562836,14.42549669,6.274751507,1.333838715,0,0,0,2045.17557,1663.974151,3106.319975,3661.458992,2188.016594,554.7529561,0,0,0,52.5,32.25,45,46,28,3,0,0,0,58.074073,52.86989445,26.04385758,14.72634614,5.718048,1.016064,0,0,0,144.6342865,184.9939319,115.4241343,72.77054261,50.78728864,31.08374443,0,0,0,7.476748,7.673591636,7.436072421,7.252551429,7.439904,6.718464,0,0,0,1.047233937,1.386065287,0.976646505,0.686928414,0.522895959,0.444612905,0,0,0,170.4312975,151.2703774,163.490525,174.3551901,182.3347162,184.917652,0,0,0,4.375,2.931818182,2.368421053,2.19047619,2.333333333,1,0,0,0,0.217026391,-0.100885917,-0.026567368,0.025323518,-0.020907211,0.014523782,0,0,0,395.928108,-64.994009,-162.036018,12.969973,-31.904,48,0,0,0,514.4985023,-83.59670822,-254.7602477,-32.94320824,52.96816353,61.08274955,0,0,0,1.005444,-0.116045,-0.165161,-0.039271,-0.230632,0.048387,0,0,0,2.213391858,-0.321809643,-1.07713566,-0.368742892,0.454951784,0.206040482,0,0,0,12.32382793,-1.706534756,-5.806729951,-2.416646497,2.748673595,1.019323642,0,0,0,22.41666667,-3.506944444,-3.951388889,0.479166667,-5.25,1.020833333,0,0,0,0.018085533,-0.009171447,-0.001398283,0.001205882,-0.001742268,0.004841261,0,0,0,32.994009,-5.908546273,-8.528211474,0.617617762,-2.658666667,16,0,0,0,42.87487519,-7.599700747,-13.40843409,-1.568724202,4.414013627,20.36091652,0,0,0,0.083787,-0.010549545,-0.008692684,-0.001870048,-0.019219333,0.016129,0,0,0,0.184449322,-0.029255422,-0.056691351,-0.017559185,0.037912649,0.068680161,0,0,0,1.026985661,-0.155139523,-0.305617366,-0.115078405,0.229056133,0.339774547,0,0,0,1.868055556,-0.318813131,-0.207967836,0.02281746,-0.4375,0.340277778,0,0,0,-0.507115117,-0.077314976,0.0666766,-0.096334879,0.26768692,0,0,0,-0.179079368,-0.258477576,0.018719088,-0.080580286,0.484936523,0,0,0,-0.177253012,-0.312734067,-0.036588426,0.102951055,0.474891564,0,0,0,-0.125909096,-0.10374741,-0.022319066,-0.229383238,0.19250003,0,0,0,-0.15860954,-0.307354617,-0.095197885,0.20554507,0.372352472,0,0,0,-0.151062989,-0.29758679,-0.112054539,0.223037323,0.330846437,0,0,0,-0.170665765,-0.111328507,0.012214551,-0.234200743,0.182156134,0,0,0,1.373588803,0.828733536,0.7355153,1.420866705,0.88278808,0,0,0,1.374108413,1.225386496,0.788344417,0.920602608,0,0,0,0,1.646057103,1.379922723,0.790098298,0.423564655,0,0,0,0,1.053425153,0.955075097,0.839404757,1.553199714,0,0,0,0,1.765768429,1.419546911,0.808001949,0.219759587,0,0,0,0,1.778171464,1.414712711,0.815249035,0.203361888,0,0,0,0,1.104089219,0.962042653,0.806160382,1.553903346,0,0,0,0,9.436347219,4.843173609,7.973149273,9.561347219,2.390336805,4.859074871,0.25,0.047305819,0.011826455,-1.220448784,8.113795335,2.028448834,0.837426296,9.438954437,4.844110008,7.974815567,9.563587226,2.390896807,4.859992727,0.249265579,0.047164977,0.011791244,-1.221641472,8.113993232,2.028498308,0.837436052,11.74463569,5.672820608,9.680698805,11.54513845,2.886284614,5.678948819,-0.398994478,0.064669834,0.016167459,-1.095384171,10.67732694,2.669331735,0.947249006,9.441690741,4.84509277,7.976565015,9.565938141,2.391484535,4.860956056,0.2484948,0.047017157,0.011754289,-1.22289708,8.114205505,2.028551376,0.837446517,14.18213106,6.549918397,11.84239416,13.64098393,3.410245982,6.552360016,-1.082294264,0.131663139,0.032915785,-0.811003438,15.67652603,3.919131508,1.100865775,9.709291821,4.941213004,8.150918699,9.795858914,2.448964729,4.955306329,0.173134186,0.032566995,0.008141749,-1.369782376,8.158234171,2.039558543,0.839611098,8.628179484,4.647423075,7.730225728,8.961512817,2.240378204,4.670393392,0.666666667,0.099774923,0.024943731,-0.921935361,7.014155172,1.753538793,0.77917211,0,11.99654878,15.99794171,-0.421734983,0.06940086,3.629588158,5.362254858,3,11,11,11,3,0,0,0,0,0,8.745656,3.295074073,2.558186649,1.693064967,1.165187119,0.083923071,0.083923071,0.083923071,0.083923071,1.756765994,1.210417063,0.689354378,0.387254117,0.083923071,0.083923071,0.083923071,0.083923071,3.286704795,2.493944958,1.641898074,1.165693778,0.270913902,0.270913902,0.270913902,0.270913902,1.706059039,1.163697924,0.600720609,0.319309321,0.270913902,0.270913902,0.270913902,0.270913902,3.471885261,2.824623271,2.110612408,1.729746219,0.943918427,0.943918427,0.943918427,0.943918427,1.467474198,0.778325847,0.083361015,0.29863039,0.943918427,0.943918427,0.943918427,0.943918427,3.302741229,2.506561968,1.67399618,1.193770616,0.399277246,0.399277246,0.399277246,0.399277246,1.675343617,1.134276972,0.54425677,0.245844131,0.399277246,0.399277246,0.399277246,0.399277246,3.534410558,2.909521409,2.246249391,1.905730969,1.207644823,1.207644823,1.207644823,1.207644823,1.403651274,0.684348486,0.064396503,0.467656294,1.207644823,1.207644823,1.207644823,1.207644823,4.283919275,3.202029034,2.259907779,1.58277142,0.6,0.6,0.6,0.6,1.545007308,0.830686129,0.263261865,0.310327795,0.6,0.6,0.6,0.6,0,0,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,2.861427158,1.523334547,0.723606798,0.223606798,0,0,0,0,0.715356789,0.507778182,0.361803399,0.223606798,0,0,0,0,5.88211032,11.8820102,11.25098039,11.44,6.674457485,93.52484671,0.49017586,0.990167516,0.937581699,0.953333333,0.55620479,7.793737226,0.3887,17.3768,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.776388889,0,7.875,0,0,0,0,0,0,0,0,0,0,0.776388889,0,0,0,0,0,0,0,0,0,0,0,0,0,1.023611111,0,0,0,0,0,0,0,0,0,0,0,1.930555556,0,1.194444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.776388889,0,7.875,0,0,0,0,0,0,0,0,0,0,0.776388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.930555556,0,0.319444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.776388889,0,7.875,0,0,0,0,0,0,0,0,0,0,0.776388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.930555556,0,0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,2.75,0.776388889,7.875,0.2625,0.319444444,1.409722222,1.180555556,1.875,3.75,1.180555556,1.875,3.75,1.83333,0.45833,0,0.04167,0.49722,0.89167,0.41429,0.49722,0.77333,0.08294,0,-0.08294,0.11833,0.51402,0.20027,0,0.45454,0,0,1.75,0.4375,1.75,0.4375,0,0,-1.75,-0.4375,0,0,2.35011,0.58753,2.95465,0.60455,0.15114,1.57596,0.39399,1.91421,0.33826,0.08456,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3.01,1,1,1,1,1,1,1,1.188721876,1.947338796,2.855388542,2.855388542,2.257894792,0.798746875,14.26466251,23.36806555,34.26466251,34.26466251,27.09473751,9.584962501,0.331585582,0.54319642,0.796490491,0.796490491,0.629823824,0.222804806,2.396240625,1.637623705,0.729573959,0.729573959,1.327067709,2.786215626,0.343617682,0.562907151,0.825392393,0.825392393,0.652677966,0.230889627,11.17145733,16.29155673,17.20671199,17.20671199,10.03678699,0.804997095,14.509775,11.24139657,11.28947396,11.28947396,7.70451146,1.798746875,4,3,4,4,0,3,1.68,0.59,0,1.414213562,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.385,0.375,0.449,0.205,2.121,2,1,0,0,0,0,0,0,0,10,1.386294361,1.098612289,0.693147181,0,0,0,0,0,0,0,2.397895273,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.333333333,3,1,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,20.23,69.23463928,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,60.05751488,5.004792906,6.871320344,1.717830086,2.310660172,2.310660172,0,10,1,0.282,10,1.198272727,2.077931494,2.770800689,3.292850868,4.213152135,0,0,0,0,0,74.39639766,60.36207915,49.05203673,22.50305571,4.280832211,0,0,0,0,0,244.1480966,254.9751241,212.8978008,181.3061656,130.9605442,0,0,0,0,0,9.21920257,15.52277764,20.20184536,25.10873145,28.30591095,0,0,0,0,0,1.777465386,2.115417001,1.941439794,1.765717314,1.87322181,0,0,0,0,0,178.9658466,336.9288268,481.7114633,599.2994685,779.0862005,0,0,0,0,0,3.601977273,5.087890486,6.483367856,8.801775674,4.213152135,0,0,0,0,0,0.404463327,0.497086781,0.484693426,0.486419157,0.431426779,0,0,0,0,0,284.445133,139.8236403,12.9365236,171.8633705,-84.48224034,-22.10573609,112.5817625,224.3058806,35.04225969,0.623361456,0.306423482,0.028350389,0.376638544,-0.185142814,-0.048444717,129.794733,63.80271605,5.903045726,78.42271739,-38.54996466,-10.08703535,0.42664308,0.805009682,8.711475957,32.07314073,396.0479213,60.2605822,0.867938945,0.132061055,221.8430372,14.89439617,6.053621557,307.6832218,17.5409014,6.75099736,293.6101966,17.13505753,6.646459733,1.677287708,1.515443914,136.0812843,125.5418916,20.56870743,1.083951202,6.615937574,6.103538203,2.717285248,2.359935319,4.338526665,0.838409142,2.666641284,2.279835686,3.00452129,5.39886256,1.948515719,0.040413221,0.457740448,0.159716805,1.99E-19,5.17E-59,2.60E-120,2.51E-203,4.69E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.243697775,2.406771359,0.278855958,1.290270579,0.015619095,0.023349419,0.00525256,0.016570296,2.22E-20,5.78E-60,2.90E-121,2.81E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.667237046,2.170542916,0.641725243,1.551658909,0.147879911,0.015062923,0.035880019,0.02945474,3.85E-20,1.00E-59,5.03E-121,4.87E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.740049911,2.406377657,3.32838215,5.190543721,1.737397863,0.043864114,0.41418606,0.196134843,2.50E-19,6.50E-59,3.26E-120,3.16E-203,5.89E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.91648382,2.08078031,0.806503065,1.861412137,0.316550466,0.013300876,0.073738521,0.030229186,3.81E-20,9.92E-60,4.98E-121,4.82E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.400985737,2.360042533,4.09749016,7.271374028,2.835544617,0.053247833,0.66739869,0.233242025,2.91E-19,7.56E-59,3.79E-120,3.67E-203,6.85E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.747819299,3.032747502,4.224055298,4.060335625,0.707520573,0.084291752,0.196399551,0.322921198,4.30E-19,1.12E-58,5.61E-120,5.43E-203,1.01E-307,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.000479428,0.72965547,0.414643513,0.636127309,0.232021267,0.549427903,0.576621567,0.499982783,3.14477841,2.59169348,6.341710753,0.454190964,1.626032252,2.194508398,0.25899201,0.083458598,0.865015317,0.102087582,0.671409015,0.071261427,0.02025571,2.536959006,0.773125846,3.357519393,0.797522975,0.762926153,1.862886801,0.479390351,0.229168144,0.724451267,0.186428368,0.48328045,0.244547241,0.152726287,2.571445295,1.429825263,4.20592916,0.5866769,0.880553978,2.080510248,0.698576205,0.395276199,0.655410385,0.220068178,0.59454836,0.528303585,0.45436684,3.174362651,2.551901682,6.300756766,0.483115578,1.577218785,1.777471658,0.579413715,0.297656048,0.669596505,0.218272622,0.43876844,0.358627235,0.257652714,2.65454142,1.731432641,4.692527482,0.504394758,1.055048388,2.044064561,0.752754688,0.433213348,0.632830939,0.233048635,0.572813825,0.614506241,0.545769121,3.230032597,2.750298612,6.646907568,0.449246408,1.733089187,2.082595003,0.699550154,0.396388767,0.655206159,0.220085791,0.595614904,0.529887156,0.456928216,3.178533923,2.559690741,6.315715394,0.482809238,1.582430276 +UMLMON0005,L,Toluene,CC1=CC=CC=C1,1140,Averaged sensitivity values,"Sandia, UML","[1], [3]",C7H8,PubChem,,103.67,0,1.8498,3.42176004,35.2378,17.654344,6,6,15,7,8,0,7,0,0,0,0,0,0,0,0,0,1017.977359,1106.705551,1314.553304,943.312445,311.816905,56.556864,3.048192,0,0,3213.288268,3882.511243,4972.96246,4307.178581,2225.930359,707.6164209,93.25123329,0,0,106.531324,109.724668,173.008736,192.693812,167.254372,82.21824,20.155392,0,0,23.07920324,28.43065448,38.12111474,35.7667492,21.71110508,8.011080479,1.333838715,0,0,2366.901709,2112.540874,3559.700925,4129.848247,3966.563997,2091.831407,554.7529561,0,0,34.77777778,42,58,58.66666667,39.66666667,16,3,0,0,67.86515727,73.78037007,54.77305433,34.93749796,12.99237104,4.713072,1.016064,0,0,214.2192178,258.8340829,207.2067692,159.5251326,92.74709829,58.96803508,31.08374443,0,0,7.102088267,7.314977867,7.208697333,7.136807852,6.968932167,6.85152,6.718464,0,0,1.538613549,1.895376965,1.588379781,1.324694415,0.904629378,0.66759004,0.444612905,0,0,157.7934473,140.8360583,148.3208719,152.9573425,165.2734999,174.3192839,184.917652,0,0,2.318518519,2.8,2.416666667,2.172839506,1.652777778,1.333333333,1,0,0,0.043872186,7.57E-04,-0.012880025,-0.02024884,-0.005060112,0.01035384,0.005141992,0,0,451.9797669,3.06E-13,-37.12690943,-264.7310063,-93.62438029,90.39595339,79.09645921,0,0,840.4756768,5.68E-14,-69.03907345,-492.2786107,-174.0985331,168.0951354,147.0832434,0,0,0.088539733,9.45E-16,-0.007272907,-0.051858987,-0.018340373,0.017707947,0.015494453,0,0,3.75731733,1.11E-16,-0.308636781,-2.200714436,-0.778301447,0.751463466,0.657530533,0,0,20.40980737,4.71E-14,-1.676519891,-11.95431575,-4.227745812,4.081961474,3.57171629,0,0,3.481481481,-0.37037037,0.222222222,-2,-0.777777778,0.592592593,0.592592593,0,0,0.002924812,5.05E-05,-5.37E-04,-7.50E-04,-2.11E-04,8.63E-04,0.001713997,0,0,30.13198446,2.04E-14,-1.546954559,-9.804852087,-3.901015846,7.532996116,26.3654864,0,0,56.03171179,3.79E-15,-2.876628061,-18.23254114,-7.254105544,14.00792795,49.02774782,0,0,0.005902649,6.30E-17,-3.03E-04,-0.001920703,-7.64E-04,0.001475662,0.005164818,0,0,0.250487822,7.40E-18,-0.012859866,-0.081507942,-0.032429227,0.062621956,0.219176844,0,0,1.360653825,3.14E-15,-0.069854995,-0.442752435,-0.176156076,0.340163456,1.190572097,0,0,0.232098765,-0.024691358,0.009259259,-0.074074074,-0.032407407,0.049382716,0.197530864,0,0,0.017255851,-0.183487905,-0.256412017,-0.072085992,0.295000125,0.586019573,0,0,6.76E-16,-0.051339286,-0.325396825,-0.129464286,0.25,0.875,0,0,6.76E-17,-0.051339286,-0.325396825,-0.129464286,0.25,0.875,0,0,1.07E-14,-0.051339286,-0.325396825,-0.129464286,0.25,0.875,0,0,2.95E-17,-0.051339286,-0.325396825,-0.129464286,0.25,0.875,0,0,2.31E-15,-0.051339286,-0.325396825,-0.129464286,0.25,0.875,0,0,-0.106382979,0.039893617,-0.319148936,-0.13962766,0.212765957,0.85106383,0,0,0.944384683,1.097895847,1.248592783,0.984799144,0.548670436,0.184499874,0,0,1,1.015625,1.25,1.015625,0.625,0,0,0,1,1.015625,1.25,1.015625,0.625,0,0,0,1,1.015625,1.25,1.015625,0.625,0,0,0,1,1.015625,1.25,1.015625,0.625,0,0,0,1,1.015625,1.25,1.015625,0.625,0,0,0,1.117021277,0.875,1.265957447,1.042553191,0.670212766,0,0,0,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,19.08329983,9.350309923,13.70634192,19.07921819,2.725602599,9.350652787,-0.028571429,0.188653171,0.026950453,-1.167491516,74.42522834,10.63217548,3.016856482,0,11.85,12.15006846,-0.210179625,0.089903792,5.768181322,7.500882457,7,15,12,9,1,3,0,0,0,6,8.745656,3.765416021,2.875673982,2.619181914,2.07300089,0.941428501,0.758222679,0.307866889,0.083923071,1.968342676,1.412036142,1.082250302,0.83114831,0.310513972,0.232961051,0.083923071,0.083923071,3.777737878,2.906585378,2.645815032,2.132252827,1.053336623,0.88274137,0.445525863,0.270913902,1.93529437,1.327827619,1.007167592,0.732846177,0.150156259,0.065219542,0.270913902,0.270913902,3.833794233,3.054562707,2.771820215,2.377281051,1.517793787,1.392274143,0.956863265,0.943918427,1.845410498,1.08613326,0.798620231,0.42315009,0.396843083,0.515592156,0.943918427,0.943918427,3.786906761,2.930047673,2.665925019,2.175105381,1.134811365,0.973074417,0.541478295,0.399277246,1.914955466,1.274383397,0.960278991,0.668747584,0.041902902,0.048582902,0.399277246,0.399277246,3.862417112,3.132507981,2.838078588,2.48756005,1.721464227,1.611361544,1.207644823,1.207644823,1.819269484,1.015368102,0.738564276,0.317644508,0.594311107,0.729436768,1.15957793,1.207644823,3.790012053,2.946255921,2.705142425,2.218788872,1.217490681,1.055013792,0.592427746,0.512195122,1.905765741,1.228574674,0.905650187,0.616845831,0.056187812,0.148687862,0.512195122,0.512195122,0,0,0,5,1,1,0,0,0,0,0,0,0.102062073,0.102062073,0,0,0,0.032075015,0.032075015,0.288675135,0,0,0,0.166666667,0,0,0,0.40824829,0.433012702,0.40824829,0.19245009,0.166666667,0.12830006,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,4.386751346,2.410683603,1.654700538,0.940455735,0.534377897,0.303561201,0.06415003,0,0.626678764,0.344383372,0.206837567,0.117556967,0.066797237,0.03794515,0.032075015,0,9.167311215,14.55134741,13.90196078,14.04,10.19421796,112.3411042,0.611154081,0.970089828,0.926797386,0.936,0.679614531,7.489406946,1.71462,30.082,25.81164286,34.91599912,51.62328572,7.374755103,25.81164286,0.063309915,0.009044274,-1.931799329,26.80913824,3.829876892,2.302119966,45,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,5,0,0,0,0,0,0,0,0,1,0,0,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.58333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.153194444,0,0,0,0,2.153194444,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,10.26157407,0,0,0,0,1.321759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.321759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,0,0,0,0.422222222,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,2.020833333,0,0,0,0,1.321759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.44,0,0,0,0,0.44,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,2.083333333,0,0,0,0,1.321759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.952380952,0.44,2.083333333,0.1875,1.321759259,4.2325625,0.344907407,0.083333333,0.689814815,0.344907407,0.083333333,0.689814815,3.5,0.5,0,0,0.48667,0.7,0.43333,0.43333,0.7,0.05333,0.05333,0,0,0.71429,0,0,0.14286,0.14286,0,9.5,1.35714,3.5,0.5,6,0.85714,2.5,0.35714,0,0,2.78594,0.39799,6.62679,3.84085,0.54869,1.35326,0.19332,3.39384,2.04058,0.29151,0.02016,0.00288,0.10616,0.01517,0.4,7,0,0,0,0,0,0,0.142857143,0.996791632,2.041946032,2.36559623,2.872905595,3.006238929,2.872905595,14.95187448,30.62919048,35.48394346,43.09358393,45.09358393,43.09358393,0.255136817,0.522652473,0.605493339,0.735343242,0.769470978,0.735343242,2.910098964,1.864944563,1.541294365,1.033985,0.900651667,1.033985,0.23904306,0.489684115,0.567299467,0.688958577,0.720933573,0.688958577,6.644859528,13.59134937,17.47515175,20.00524452,18.12080749,17.98643082,25.42029908,23.00989851,20.1702396,17.55180316,19.08518437,19.33943645,5.142857143,2.34375,1.5,0,6,0,2.23,0.8573,0,1.850535862,1,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,3.42,8,8,8,8,2,0,0,0,0,48,2.397895273,2.862200881,3.248434627,3.640870235,4.037553728,2.784239339,0,0,0,0,5.119489699,3.463541667,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,0,3,4,0.333333333,1,0.444444444,0.1875,0.111111111,0,0,0,0,0,0,0.142857143,0.055555556,0.0375,0.111111111,0,0,0,0,0,0,0.34702381,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,0,98.46251628,3.807354922,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,71.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.388905171,92.06260026,6.137506684,13.67682532,1.953832189,0,0,0,42,5,2.474,30,1.228620249,2.169154658,3.027831434,3.853973214,4.915824513,5.732538454,0,0,0,0,99.32603367,128.0621471,108.3484474,53.40161996,22.78420042,5.824625951,0,0,0,0,338.2845852,473.5341237,493.9717822,373.1626646,286.9769563,178.1887602,0,0,0,0,9.015098242,15.68185143,21.64853859,26.91873561,33.6670341,38.51385323,0,0,0,0,2.438709299,3.585189849,4.088898066,3.601267001,3.258569141,2.548760574,0,0,0,0,171.3052152,318.6294216,460.0733268,632.2284801,858.0250833,1060.047551,0,0,0,0,3.548368201,5.411829214,6.690545286,6.535514595,6.51977092,5.732538454,0,0,0,0,0.50095289,0.743748609,0.861549758,0.779102857,0.724083456,0.587011938,0,0,0,0,208.2127183,81.74242267,10.12659926,86.98696994,-34.15029457,-4.981305312,121.2257484,115.8927172,15.10790457,0.705328381,0.276905518,0.034304234,0.294671619,-0.115685402,-0.016874358,61.46432953,24.13033769,2.989368944,25.67852641,-10.08115631,-1.470479775,0.157976185,0.157267841,4.078381183,2.126720455,295.1996882,0,1,0,540.6395164,23.25165621,8.146466238,619.1973665,24.88367671,8.523337786,835.3178834,28.90186643,9.417824499,1.625780523,1.625780523,271.5903268,186.8193823,88.14246263,1.453758831,3.081265472,2.119516255,3.353501576,3.785389562,5.736871498,0.515530014,2.639615722,1.872839511,3.296951735,6.216241405,0.015703019,3.157315437,2.29777692,2.688998165,0.825492883,0.375694394,0.002381322,8.99E-26,7.25E-70,1.22E-135,4.17E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.221634264,1.872778166,0.264726363,2.197550668,0.001775231,0.201910116,0.225303301,0.183764026,0.005841898,0.00332421,1.68E-05,6.33E-28,5.10E-72,8.58E-138,2.93E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.715195829,1.87278246,0.86181118,2.581673168,0.004617971,0.527812427,0.645135184,0.620760562,0.060658147,0.029316176,1.75E-04,6.60E-27,5.32E-71,8.94E-137,3.06E-224,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.49158863,1.872832845,3.103588779,5.815914726,0.014850293,2.878267242,2.169768042,2.509318058,0.735518496,0.335203897,0.002121715,8.01E-26,6.46E-70,1.09E-135,3.71E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.054010371,1.872787851,1.278180992,2.974871487,0.006569488,0.833887752,0.934287994,0.942828509,0.131688984,0.062009847,3.80E-04,1.43E-26,1.16E-70,1.94E-136,6.64E-224,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.187693417,1.872867498,4.021667165,7.873673,0.018860369,4.301913645,2.773023213,3.384147424,1.203812838,0.545702985,0.003472934,1.31E-25,1.06E-69,1.78E-135,6.08E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.385029616,1.731608989,1.598808389,3.496679939,0.008476251,1.164904998,1.218200876,1.267785269,0.216658126,0.100875263,6.25E-04,2.36E-26,1.90E-70,3.19E-136,1.09E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.276735353,1.690829113,0.111499579,0.645145508,0.332901711,0.564606018,0.467262948,0.133353426,5.079064045,6.094280878,11.79109714,0.467718262,1.165222392,2.057805299,0.939027824,0.01829864,0.682492661,0.311438404,0.222676311,0.144105854,0.003591677,3.015131763,1.987174403,5.037665294,0.523738991,0.370373842,2.464919506,1.190124521,0.049427124,0.665390391,0.321267051,0.319499195,0.231486165,0.026205323,3.704471151,3.114219461,6.963688102,0.498085586,0.577190682,3.237395043,1.666565162,0.108491571,0.645870561,0.332485027,0.551130214,0.453947533,0.126255341,5.012451776,5.92736814,11.52516772,0.468805842,1.131333088,2.675228073,1.319836862,0.065507585,0.658830266,0.325037136,0.37634438,0.284699912,0.046030073,4.060572519,3.792571679,8.084442611,0.488245399,0.707074364,3.403949887,1.769291301,0.121226558,0.642925795,0.334177369,0.609296818,0.511638516,0.157635178,5.294467747,6.649713149,12.67427741,0.465654746,1.278570512,3.235853692,1.665539947,0.108220252,0.645928761,0.332468726,0.550605604,0.453388455,0.125624649,5.009613891,5.919873642,11.51273448,0.468893141,1.129618707 +UMLMON0006,L,"1,3,3-Trimethyl-2-oxabicyclo[2,2,2]octane",CC1(C2CCC(O1)(CC2)C)C,2758,Sandia values from co-optima database which were from NREL measurements,Sandia,,C10H18O,PubChem,,91.2,0,1.3109,1.71845881,44.0326,30.404274,0,0,29,11,18,0,10,0,1,0,0,0,0,0,0,0,1716.898363,2044.896772,3524.888924,3198.922376,1743.551887,480.561984,45.72288,0,0,5011.067194,6905.887116,11362.32757,13333.77574,10471.24292,5498.202944,1398.768499,0,0,209.689228,223.590304,452.404256,666.263984,722.805244,551.847168,302.33088,0,0,36.53523629,50.61147758,84.03984844,105.7684249,96.90557935,59.65056297,20.00758072,0,0,4781.912583,4330.836077,9386.541768,13937.03653,16802.45851,13648.78841,8321.294341,0,0,56.15277778,61.5,119.8958333,178.25,156.1666667,108,45,0,0,59.20339183,68.16322573,57.78506433,36.35139064,17.09364595,6.0070248,1.016064,0,0,172.7954205,230.1962372,186.2676651,151.5201789,102.6592443,68.7275368,31.08374443,0,0,7.230663034,7.453010133,7.416463213,7.571181636,7.086325922,6.8980896,6.718464,0,0,1.259835734,1.687049253,1.377702433,1.20191392,0.9500547,0.745632037,0.444612905,0,0,164.8935373,144.3612026,153.8777339,158.3754152,164.7299854,170.6098551,184.917652,0,0,1.936302682,2.05,1.965505464,2.025568182,1.531045752,1.35,1,0,0,0.167264344,-0.073527632,0.083666717,-0.111467043,-0.017716438,0.002541959,0.032870266,0,0,896.4160179,71.46936194,489.5899147,-978.7484897,-646.0343433,-220.8236558,836.3392031,0,0,1461.016271,34.6937145,405.0116723,-984.1870181,-987.1645617,-554.6112726,1355.74933,0,0,1.131541793,0.062493869,0.375979401,-1.20716682,-0.305949341,0.146603054,0.362268942,0,0,6.517919588,-0.140565125,0.310678789,-2.311225902,-3.820596509,-2.828533415,5.531282368,0,0,35.84969153,-1.264651137,-0.837810387,-9.344443952,-19.7896399,-15.89146903,29.20316864,0,0,8.091475096,-2.497886114,7.28914817,-9.548652398,-1.564077157,-1.440084555,3.715814507,0,0,0.005767736,-0.002450921,0.001371586,-0.001266671,-1.74E-04,3.18E-05,7.30E-04,0,0,30.91089717,2.382312065,8.026064175,-11.12214193,-6.333670032,-2.760295697,18.58531563,0,0,50.3798714,1.15645715,6.639535612,-11.18394339,-9.678083938,-6.932640907,30.12776289,0,0,0.039018683,0.002083129,0.006163597,-0.013717805,-0.002999503,0.001832538,0.008050421,0,0,0.224755848,-0.004685504,0.005093095,-0.026263931,-0.037456829,-0.035356668,0.122917386,0,0,1.23619626,-0.042155038,-0.013734597,-0.106186863,-0.194016077,-0.198643363,0.648959303,0,0,0.279016383,-0.08326287,0.119494232,-0.108507414,-0.01533409,-0.018001057,0.082573656,0,0,-0.424936417,0.237803103,-0.219613199,-0.030114167,0.005509005,0.126644207,0,0,0.077070298,0.259651609,-0.359812977,-0.20490088,-0.089298466,0.601254487,0,0,0.022954746,0.131789451,-0.221992297,-0.192102196,-0.137607356,0.598011905,0,0,0.053387988,0.15796527,-0.351570168,-0.076873517,0.04696566,0.206322213,0,0,-0.020847085,0.022660567,-0.116855383,-0.166655635,-0.157311447,0.546892938,0,0,-0.034100603,-0.011110369,-0.085898062,-0.156946016,-0.16068918,0.524964623,0,0,-0.298415705,0.428269592,-0.388892626,-0.054957668,-0.064516129,0.295945546,0,0,1.406884894,1.125649192,2.461755723,0.672089471,0.123779043,8.64E-04,0,0,1.151026223,0.892329825,1.552380399,1.101564639,0.850850321,0,0,0,1.31635931,1.022683988,1.262370673,1.131134506,0.970764483,0,0,0,0.856101064,1.138033029,2.605209683,0.696815277,0.132041787,0,0,0,1.404920635,1.151443377,1.173018206,1.103594967,0.972775578,0,0,0,1.425687376,1.193500687,1.165351317,1.088404357,0.960720957,0,0,0,1.332907172,0.707923093,2.289204714,0.777230762,0.526274046,0,0,0,46.02260821,22.54667998,30.2749052,46.09079002,4.19007182,22.54667998,0.25,0.023747278,0.002158843,-4.114316082,68.05060712,6.186418829,4.642276816,46.02915674,22.55008913,30.28096493,46.09713826,4.190648933,22.55008913,0.249265579,0.023795501,0.002163227,-4.112084621,68.07571944,6.188701767,4.642682668,54.02873286,25.72667029,36.39961263,53.84737173,4.895215612,25.72667029,-0.398994478,0.01131903,0.001029003,-4.929396927,383.211901,34.83744554,6.543446913,46.03603419,22.55366757,30.28732802,46.1038055,4.191255045,22.55366757,0.2484948,0.023845788,0.002167799,-4.109762461,68.10227319,6.191115745,4.643111652,64.95050291,29.36249539,43.63649678,64.45855097,5.85986827,29.36249539,-1.082294264,0.024779916,0.00225272,-4.067493979,149.0597685,13.55088805,5.504782092,46.73154968,22.9060629,30.92509281,46.78632073,4.253301884,22.9060629,0.173134186,0.027315937,0.002483267,-3.960313455,71.59289406,6.508444915,4.698095406,53.40921998,25.75410254,34.89810799,53.50782176,4.864347433,25.75410254,0.229563492,0.093716631,0.008519694,-2.604227572,209.2970429,19.0270039,5.878129951,0,11.9,15.99491714,-0.368355868,0.069415429,6.6308125,9.395160228,12,30,30,30,12,0,0,0,0,0,21.593726,3.822380682,3.179340431,2.884349746,2.750129472,2.333552793,2.164759997,1.896210057,1.456797487,2.046489885,1.641435063,1.428259117,1.372874417,1.249629723,1.004515947,0.666206401,0.495223245,3.79643358,3.206601582,2.879776005,2.792995694,2.405454588,2.221203886,1.736203775,1.556142907,2.030082219,1.570985808,1.350913032,1.285229005,1.134540686,0.89928396,0.522081792,0.447163139,3.907395045,3.338902552,3.073060885,2.981537655,2.704236987,2.501804746,2.143565666,1.9628467,1.885603619,1.364728906,1.082012932,1.018928274,0.76031856,0.546907314,0.037619229,0.007417982,3.797746308,3.227567069,2.897990123,2.824624264,2.457539916,2.267352413,1.715824434,1.62787375,2.019647776,1.526450946,1.303459499,1.228596505,1.058262671,0.83084779,0.449646964,0.425347018,3.935199322,3.40544036,3.148525687,3.072480534,2.838982085,2.623951434,2.199479475,2.141548494,1.856172619,1.303661179,1.007363966,0.933903671,0.631337262,0.428734629,0.071158965,0.135164289,3.921433978,3.314611061,3.070519248,2.849225422,2.70797144,2.541832909,2.305887929,1.744477468,1.972209106,1.425714357,1.1655301,1.142131709,0.813234598,0.688124771,0.270278054,0.126453005,0,0,0,0,0,3,4,3,0,0,0,0,0.174230856,0.609807997,0,0,0,0.131094349,0.397825987,2.121591078,0.380900841,0.348461713,0.102062073,1.513576315,0.219913203,0.262188697,0.058925565,3.256855881,5.35204404,6.709033879,2.410603378,3.597301421,4.376298497,8.112884175,5.019385278,5.750291757,4.180269215,3.517264412,2.528874655,1.712415274,0.441768244,0.737534925,0.418282106,0.287514588,0.174177884,0.113460142,0.066549333,0.050365155,0.031554875,7.814025684,4.720526787,4.929691518,3.535888693,2.744104673,1.955481389,1.288451253,0.316059248,0.710365971,0.393377232,0.246484576,0.147328696,0.088519506,0.051460037,0.037895625,0.022575661,15.59124934,28.32119446,26.87843137,27.24,17.66722994,222.1515114,0.537629288,0.976592913,0.926842461,0.939310345,0.609214826,7.660396944,2.7441,45.527,54.94304499,71.59820998,109.88609,9.989644543,54.94304499,0.066494758,0.006044978,-2.981695376,103.9707594,9.451887214,5.108520669,82,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,4,0,0,0,1,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.060185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.391666667,0,0,0,0,0,0,0,0,0,0,0,6.756550926,0,5.314675926,0,0,0,0.823449074,0,0,0,0,0,0.378472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.060185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.060185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,2.244282407,0,1.278865741,0,0,0,0.823449074,0,0,0,0,0,0.157986111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.060185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.060185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,2.267986111,0,1.378472222,0,0,0,0.823449074,0,0,0,0,0,0.220486111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.060185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.33333333,1.757575758,0.311111111,6.060185185,-0.291666667,0.157986111,5.923195347,1.092013889,2.560185185,6.633472222,1.092013889,2.560185185,6.633472222,5.33333,0.48485,0,0.01515,0.47816,0.7697,0.44194,0.47816,0.7697,0.03623,0,-0.03623,0,0.62992,0.08437,0,0.28125,0.09375,0.1875,6.5,0.59091,6.5,0.59091,0,0,-6.5,-0.59091,0,0,13.36651,1.21514,14.57322,1.20671,0.1097,4.61397,0.41945,5.01938,0.40541,0.03686,0.39462,0.03587,0.39462,0.03587,0.275862069,34.01,1,1,1,1,0,0,1,1.124259237,1.76096246,2.67576677,2.951628839,3.020594357,3.115590477,32.60351788,51.06791133,77.59723634,85.59723634,87.59723634,90.35212385,0.231425203,0.362488544,0.550798114,0.607583447,0.62177978,0.641334431,3.733721758,3.097018535,2.182214225,1.906352156,1.837386638,1.742390518,0.229118464,0.358875427,0.545308015,0.601527338,0.615582169,0.634941908,9.465905526,17.10634419,19.54446894,19.82248964,20.65007585,21.7900293,40.8077838,28.7807791,27.00105739,26.05431975,24.87170692,22.97503213,7.638888889,2.025,1.111111111,0,0,0,2.45,1.3591,0.944940787,3.888322594,1.190550789,3.464101615,3.301927249,2.828427125,4.298279727,0,1.154700538,0.5,0,0,0,0,0,0,0,0,0,0.003,0.388,0.404,0.415,0.413,4.784,20,24,31,38,34,14,4,0,0,188,2.564949357,3.044522438,3.218875825,3.465735903,3.663561646,3.555348061,2.708050201,1.609437912,0,0,5.241747015,1,0.25,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,3,0,0,0,0,0,0,0,3,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,3,0.25,0,3,4,0.333333333,5,2.222222222,1.25,0.666666667,0,0,0,0,0,0,0.416666667,0.111111111,0.078125,0.095238095,0,0,0,0,0,0,0.701140873,23.73374842,32.48572989,48.49673892,4.408794447,23.73374842,0.027554123,0.00250492,-3.950763421,85.38029676,7.76184516,4.891826893,9.23,165.5936143,4.459431619,4.17438727,5.030437921,5.983936281,6.859614904,7.809947086,8.690305809,9.639326675,10.52085999,11.46944369,93.17825962,3.218875825,0,4.65396035,0,6.315358002,0,8.073714641,0,9.87225485,10.05552171,154.1357652,5.315026386,21.99414927,1.999468116,2.981152345,2.981152345,0,128,16,2.595,64,1.262146406,2.159722857,2.948596541,3.615768247,4.359223799,5.108381791,0,0,0,0,98.50182031,138.3603313,112.338959,67.15446432,27.35372201,5.190442836,0,0,0,0,316.5509914,432.1986079,463.2864494,390.1737872,308.4063939,158.787634,0,0,0,0,9.478124423,16.14600368,22.366925,25.65149619,30.11234413,34.32047916,0,0,0,0,2.259756297,3.132985214,3.648149602,3.565046104,3.320807662,2.271252467,0,0,0,0,180.2055318,328.4364591,464.1845515,591.110726,740.3788839,944.6299664,0,0,0,0,2.654227622,4.46208396,6.051758303,5.636228695,6.002270623,5.108381791,0,0,0,0,0.486541889,0.701763636,0.823274933,0.777658912,0.730795343,0.523098295,0,0,0,0,313.3145696,195.943058,8.509694746,52.58327425,-32.88492958,-3.870329566,260.7312954,228.8279876,12.38002431,0.85628974,0.535513016,0.023257023,0.14371026,-0.08987462,-0.010577623,114.6411255,71.69514246,3.11367896,19.24010667,-12.03252483,-1.416145243,0.106841158,0.588961861,0,3.723598261,359.5755359,6.322307953,0.982721112,0.017278888,834.7681406,28.89235436,9.415758013,1009.13479,31.76688197,10.03035705,1705.851696,41.30195754,11.94851016,1.210655335,1.121875825,477.3270946,454.986925,295.9567346,1.049100685,1.612827278,1.537342699,4.041184936,3.852244731,6.407753101,0.663381625,5.027723382,9.115508799,9.452641122,23.65290362,16.73739974,21.0438234,11.83171519,22.91663133,7.697483707,9.931236993,2.689031779,0.831312703,9.98E-16,2.36E-52,1.10E-110,1.00E-190,1.79E-292,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421582352,9.264692928,1.023614028,14.41900475,2.724035434,5.295830114,0.648284272,1.421510754,0.372625897,0.22232612,0.018939231,0.005855003,7.03E-18,1.66E-54,7.72E-113,7.04E-193,1.26E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,1.360799415,8.546291237,2.549305259,13.67900661,4.636792966,7.789170036,1.958107221,4.749834352,1.380615889,1.120389285,0.197360132,0.061013649,7.33E-17,1.73E-53,8.05E-112,7.34E-192,1.31E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,4.74538701,9.482161499,8.869060137,24.54067629,16.26691029,20.2837189,10.84199982,21.22597417,7.076716677,8.953475756,2.395879014,0.740684652,8.89E-16,2.10E-52,9.77E-111,8.91E-191,1.59E-292,0,0,0,0,0,0,0,0,0,0,0,0,0,2.005837784,8.288357632,3.654570851,13.91351823,6.050493515,9.598496983,3.136229912,7.349148924,2.217220171,2.058664116,0.428692183,0.132529799,1.59E-16,3.76E-53,1.75E-111,1.59E-191,2.85E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,6.073487625,9.478414669,11.69494067,27.95833819,21.70907659,25.96586903,16.04193407,29.60186438,10.19158883,13.9867558,3.921699606,1.212391449,1.46E-15,3.44E-52,1.60E-110,1.46E-190,2.60E-292,0,0,0,0,0,0,0,0,0,0,0,0,0,3.488955425,8.786455106,5.240337786,25.47155657,10.90725146,15.27201232,5.900664787,13.17397749,4.448264726,4.752112529,1.072634009,0.331603959,3.98E-16,9.41E-53,4.37E-111,3.99E-191,7.12E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,3.14211108,1.778346193,1.357103979,0.500530533,0.283286155,0.521304218,0.581665742,0.466913856,6.277561251,12.26533342,26.12606773,0.2507958,1.569883815,2.066239162,1.033029358,0.892288182,0.517652464,0.258803629,0.22595711,0.189914775,0.193383989,3.991556702,4.899926388,10.79605947,0.276478696,0.609255874,2.547442089,1.347847312,1.050819099,0.51503967,0.272506621,0.343098448,0.332703326,0.278331578,4.946108501,7.526807474,16.08096953,0.272559505,0.954133352,3.077815725,1.738457159,1.345842676,0.499473873,0.282120181,0.500192133,0.555094171,0.459113137,6.16211556,11.83259637,25.19584609,0.24921081,1.514399442,2.760328578,1.493193617,1.132377927,0.512510168,0.277241238,0.402683952,0.409782787,0.323976603,5.385900121,8.938299655,18.99152755,0.268765253,1.136443341,3.210053757,1.829632537,1.398866683,0.498567577,0.284168282,0.544011506,0.615715219,0.496364554,6.438552977,12.92306805,27.57747112,0.247851365,1.656091278,3.11543004,1.755191324,1.348590094,0.500936503,0.282220879,0.512478577,0.566134583,0.461049383,6.219211458,12.0366475,25.63018664,0.251404755,1.539662544 +UMLMON0008,L,Propane,CCC,6334,"Opted for Sandia value, UML from [4]","Sandia, UML",[4],C3H8,PubChem,,97.1,0,1.0124,1.02495376,20.0003,13.70793,0,0,14,4,10,0,4,0,0,0,0,0,0,0,0,0,587.217124,553.863243,587.221995,227.07216,27.433728,0,0,0,0,2004.905051,2417.916869,2927.143802,2345.012795,839.2610996,0,0,0,0,97.346704,93.797868,168.499308,188.583552,181.398528,0,0,0,0,15.60172905,19.5021431,25.73074786,24.04531372,12.00454843,0,0,0,0,2356.353945,1911.608545,3882.112509,4420.464727,4992.776605,0,0,0,0,23.77777778,27.33333333,39,45,27,0,0,0,0,41.94408029,42.60486485,24.46758313,8.41008,1.016064,0,0,0,0,143.2075037,185.9936053,121.9643251,86.85232572,31.08374443,0,0,0,0,6.953336,7.215220615,7.0208045,6.984576,6.718464,0,0,0,0,1.114409218,1.500164854,1.072114494,0.890567175,0.444612905,0,0,0,0,168.310996,147.0468112,161.7546879,163.7209158,184.917652,0,0,0,0,1.698412698,2.102564103,1.625,1.666666667,1,0,0,0,0,0.019912156,-0.005260684,9.27E-04,-0.020091701,0.014468957,0,0,0,0,345.9028829,-61.76837194,-22.2366139,-355.7858224,266.8393668,0,0,0,0,643.2211813,-114.8609252,-41.34993308,-661.5989293,496.199197,0,0,0,0,0.06776,-0.0121,-0.004356,-0.069696,0.052272,0,0,0,0,2.875497957,-0.513481778,-0.18485344,-2.957655041,2.218241281,0,0,0,0,15.61975054,-2.789241168,-1.00412682,-16.06602913,12.04952184,0,0,0,0,2.317460317,-1.437641723,1.503401361,-2.755102041,1.530612245,0,0,0,0,0.001422297,-4.05E-04,3.86E-05,-7.44E-04,5.36E-04,0,0,0,0,24.70734878,-4.751413226,-0.926525579,-13.17725268,9.88293951,0,0,0,0,45.94437009,-8.835455786,-1.722913878,-24.50366405,18.37774804,0,0,0,0,0.00484,-9.31E-04,-1.81E-04,-0.002581333,0.001936,0,0,0,0,0.205392711,-0.039498598,-0.007702227,-0.109542779,0.082157084,0,0,0,0,1.115696467,-0.214557013,-0.041838618,-0.595038116,0.446278587,0,0,0,0,0.16553288,-0.110587825,0.062641723,-0.102040816,0.056689342,0,0,0,0,-0.284517269,0.027167014,-0.52319391,0.37677599,0,0,0,0,-0.192307692,-0.0375,-0.533333333,0.4,0,0,0,0,-0.192307692,-0.0375,-0.533333333,0.4,0,0,0,0,-0.192307692,-0.0375,-0.533333333,0.4,0,0,0,0,-0.192307692,-0.0375,-0.533333333,0.4,0,0,0,0,-0.192307692,-0.0375,-0.533333333,0.4,0,0,0,0,-0.668071654,0.378424658,-0.616438356,0.342465753,0,0,0,0,1.836900569,0.984166918,1.611121724,0,0,0,0,0,1.75,1.1375,1.516666667,0,0,0,0,0,1.75,1.1375,1.516666667,0,0,0,0,0,1.75,1.1375,1.516666667,0,0,0,0,0,1.75,1.1375,1.516666667,0,0,0,0,0,1.75,1.1375,1.516666667,0,0,0,0,0,2.253424658,0.467465753,1.869863014,0,0,0,0,0,9.291502622,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,-8.88E-16,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9.291502622,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,-8.88E-16,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9.291502622,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,-8.88E-16,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9.291502622,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,-8.88E-16,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9.291502622,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,-8.88E-16,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9.291502622,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,-8.88E-16,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,11.89737866,5.886189331,8.323689331,11.83487866,2.958719666,5.890335365,-0.125,0,0,0,3000000,750000,5.965649139,0,11.89,12.11003668,-0.166165952,0.054292795,5.11729559,6.394051595,3,13,13,13,3,0,0,0,0,0,10.93207,3.367677256,2.333552793,2.333552793,1.050942244,0.083923071,0.083923071,0.083923071,0.083923071,1.844888628,1.249629723,1.249629723,0.405884732,0.083923071,0.083923071,0.083923071,0.083923071,3.400369243,2.405454588,2.405454588,1.16859853,0.270913902,0.270913902,0.270913902,0.270913902,1.776461506,1.134540686,1.134540686,0.250678463,0.270913902,0.270913902,0.270913902,0.270913902,3.543581628,2.704236987,2.704236987,1.635536755,0.943918427,0.943918427,0.943918427,0.943918427,1.57200699,0.76031856,0.76031856,0.28072546,0.943918427,0.943918427,0.943918427,0.943918427,3.424434988,2.457539916,2.457539916,1.25257629,0.399277246,0.399277246,0.399277246,0.399277246,1.732589073,1.058262671,1.058262671,0.145867715,0.399277246,0.399277246,0.399277246,0.399277246,3.612801227,2.838982085,2.838982085,1.834792115,1.207644823,1.207644823,1.207644823,1.207644823,1.507411593,0.631337262,0.631337262,0.475107896,1.207644823,1.207644823,1.207644823,1.207644823,3.41694038,2.571572866,2.571572866,1.289302241,0.545454545,0.545454545,0.545454545,0.545454545,1.723618466,0.935209229,0.935209229,0.073533247,0.545454545,0.545454545,0.545454545,0.545454545,0,0,0,0,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.577350269,0,0,0,0.577350269,0,0,0,0,0,0,0,0,0,3.577350269,1.732050808,1.732050808,0,0,0,0,0,0.894337567,0.577350269,0.577350269,0,0,0,0,0,3.577350269,1.732050808,1.732050808,0,0,0,0,0,0.894337567,0.577350269,0.577350269,0,0,0,0,0,6.709139019,13.43918427,12.62745098,12.8,7.992772455,108.3985808,0.479224216,0.959941733,0.901960784,0.914285714,0.570912318,7.742755774,1.6623,20.512,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.8,0,0,0,0,0,0,0,0,0,0,0,6.5,0,0,0,0,0,0.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.333333333,1.833333333,0.2,2.166666667,0.2,0.833333333,3.162166667,0.5,0.166666667,1,0.5,0.166666667,1,2,0.5,0,0,0.41429,0.7,0.41429,0.41429,0.7,0,0,0,0,0.71429,0,0,0.75,0.25,0,1.5,0.375,1.5,0.375,0,0,-1.5,-0.375,0,0,3.23204,0.80801,3.23204,0,0,1.73204,0.43301,1.73204,0,0,0.18196,0.04549,0.18196,0.04549,0,3,0,0,0,0,0,0,1,0.863120569,1.094914318,1.429911171,1.157957248,0.409776378,0,12.08368796,15.32880046,20.01875639,16.21140147,5.736869286,0,0.226698216,0.287578737,0.375565504,0.304136933,0.107627575,0,2.944234353,2.712440604,2.377443751,2.649397674,3.397578545,3.807354922,0.233248109,0.295887625,0.386416556,0.31292423,0.110737212,0,6.546092095,9.327617094,9.665235307,6.401788231,0.412982891,0,15.86062537,13.67114307,14.16374991,12.53202637,3.687987398,0,4,1.333333333,0,4,0,3,1.9,0.6722,1.5,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,1.542,3,0,0,0,0,0,0,0,0,10,1.386294361,1.386294361,0,0,0,0,0,0,0,0,2.397895273,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,1,0,1,2,1,1.5,0,0,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0.5,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,0,77.7403972,3,2.564949357,2.944438979,3.610917913,4.007333185,4.691347882,5.093750201,5.783825182,6.188264123,6.880384082,48.76521091,1.945910149,0,2.944438979,0,4.007333185,0,5.093750201,0,6.188264123,6.59441346,58.07825032,4.148446451,6.732050808,1.683012702,0,0,0,9,0,2.555,12,1.207615385,2.074292344,2.859768772,3.345220546,0,0,0,0,0,0,61.06881987,58.59234619,24.72585252,3.398958169,0,0,0,0,0,0,247.0820973,276.6206607,253.4684462,103.9819805,0,0,0,0,0,0,8.743989366,14.62175995,19.99856457,22.47474381,0,0,0,0,0,0,1.933556328,2.37188821,2.58752547,1.487328224,0,0,0,0,0,0,175.6597976,331.2416184,466.2690023,618.5903289,0,0,0,0,0,0,2.592461538,3.546572204,4.827138459,3.345220546,0,0,0,0,0,0,0.403174038,0.503720875,0.563550391,0.342550584,0,0,0,0,0,0,303.38177,72.04860789,7.157083375,124.6310057,-29.59798957,-7.357259815,178.7507642,101.6465975,14.51434319,0.708814753,0.168332844,0.016721658,0.291185247,-0.069152117,-0.017189346,129.8512735,30.83772465,3.063323121,53.3436627,-12.66831767,-3.149001195,0.122710093,0.264390249,2.74445919,14.62558684,428.0127757,0,1,0,186.2447074,13.64715016,5.710769702,283.1150683,16.82602354,6.566304143,256.0864727,16.00270204,6.350319059,1.174792123,1.174792123,108.1869239,63.68933332,63.6878559,1.698666296,1.698705702,1.000023198,2.86745198,2.151830091,4.101713045,0.906150984,2.789005534,2.845632767,1.832602745,5.757035126,2.473511415,0.322932325,2.13290188,7.73E-07,5.41E-35,7.30E-85,1.90E-156,9.53E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234061908,2.845426273,0.096940218,3.18530119,0.024648609,0.002641926,0.015022202,5.45E-09,3.81E-37,5.14E-87,1.34E-158,6.71E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.755580372,2.845440465,0.350399822,3.709602305,0.200110502,0.024645551,0.156542931,5.68E-08,3.97E-36,5.36E-86,1.39E-157,7.00E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.632593716,2.845610235,1.690677787,5.599367375,2.208830678,0.287979925,1.900377176,6.89E-07,4.82E-35,6.50E-85,1.69E-156,8.49E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.113586447,2.845458508,0.554329256,4.069709981,0.41688162,0.052629129,0.340032163,1.23E-07,8.63E-36,1.16E-85,3.03E-157,1.52E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368128095,2.845727422,2.398586387,6.341066761,3.583809945,0.469767806,3.110636939,1.13E-06,7.89E-35,1.06E-84,2.77E-156,1.39E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.604254423,2.257589742,0.692400209,5.179687504,0.763890586,0.09750119,0.634582378,2.30E-07,1.61E-35,2.17E-85,5.65E-157,2.84E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.424434498,1.424402379,0.527541276,0.421882394,0.421872881,0.535505238,0.535503266,0.467704298,3.376378154,3.531846931,7.978589394,0.265632912,1.538712803,0.931304952,0.931279515,0.16659022,0.458957505,0.458944969,0.228908814,0.228905825,0.046639885,2.029174688,1.177593581,3.351252838,0.376853712,0.504454524,1.141349124,1.141320841,0.320334133,0.43847381,0.438462944,0.343807812,0.34380504,0.172450677,2.603004098,2.033862645,5.054148573,0.315405132,0.860063529,1.413563919,1.413531947,0.519584448,0.422377935,0.422368381,0.527363002,0.527360989,0.453702066,3.346680315,3.467032805,7.851904033,0.267119474,1.508426057,1.228648316,1.22861885,0.384233641,0.432394146,0.432383777,0.398413377,0.39841079,0.248112841,2.841500806,2.453705189,5.875222229,0.297166885,1.044937008,1.458080728,1.458048153,0.552168968,0.420402397,0.420393005,0.561102108,0.56110027,0.512392141,3.468297849,3.736147786,8.378330308,0.261193102,1.634594519,1.41603164,1.415999592,0.519018798,0.422563563,0.422553999,0.529205895,0.529203855,0.452714751,3.35105003,3.474977671,7.86671241,0.267676343,1.511124501 +UMLMON0009,L,Methylpropane,CC(C)C,6360,"RON uses equivlaent mL TEL (+ 0.02); [2] has RON of 110.1, [4] has RON of 102.1; ""2-methylpropane""","Sandia, UML","[1], [3]",C4H10,PubChem,,97.6,0,1.8631,3.47114161,29.4773,19.895102,0,0,20,6,14,0,6,0,0,0,0,0,0,0,0,0,879.809622,890.819837,1216.771087,874.743915,263.650464,27.433728,0,0,0,2976.273833,3723.897138,5204.492852,5587.571361,3464.027594,839.2610996,0,0,0,139.301592,137.349428,254.005756,319.167084,430.448256,181.398528,0,0,0,22.95798067,29.53412034,43.11897672,51.12197259,40.0513783,12.00454843,0,0,0,3349.613265,2777.687448,5741.450732,7002.300698,11077.5002,4992.776605,0,0,0,33.8125,39.375,58.75,83.25,81,27,0,0,0,43.9904811,46.88525458,33.79919686,19.43875367,4.184928,1.016064,0,0,0,148.8136916,195.9945862,144.5692459,124.1682525,54.98456499,31.08374443,0,0,0,6.9650796,7.228917263,7.055715444,7.092601867,6.832512,6.718464,0,0,0,1.147899033,1.554427386,1.197749353,1.136043835,0.635736163,0.444612905,0,0,0,167.4806632,146.1940762,159.4847426,155.6066822,175.8333365,184.917652,0,0,0,1.690625,2.072368421,1.631944444,1.85,1.285714286,1,0,0,0,0.027048336,-0.007822236,0.012698697,-0.033070684,8.65E-05,0.0145836,0,0,0,508.4772378,-59.32234441,150.1218512,-671.9163499,32.68782243,294.1904019,0,0,0,945.5351364,-110.3124326,279.1579927,-1249.457145,60.78440163,547.0596147,0,0,0,0.0996072,-0.01162084,0.02940784,-0.1316238,0.00640332,0.05762988,0,0,0,4.226981996,-0.4931479,1.247966113,-5.585654781,0.271734557,2.445611012,0,0,0,22.96103329,-2.678787217,6.778971734,-30.34136542,1.476066426,13.28459783,0,0,0,3.184375,-2.06578125,2.505625,-2.83359375,-0.72140625,1.52296875,0,0,0,0.001352417,-4.12E-04,3.53E-04,-7.35E-04,1.37E-06,5.40E-04,0,0,0,25.42386189,-3.122228653,4.170051421,-14.93147444,0.518854324,10.89594081,0,0,0,47.27675682,-5.805917504,7.754388685,-27.76571432,0.964831772,20.26146721,0,0,0,0.00498036,-6.12E-04,8.17E-04,-0.002924973,1.02E-04,0.00213444,0,0,0,0.2113491,-0.025955153,0.034665725,-0.124125662,0.004313247,0.090578186,0,0,0,1.148051665,-0.140988801,0.18830477,-0.674252565,0.023429626,0.492022142,0,0,0,0.15921875,-0.108725329,0.069600694,-0.06296875,-0.011450893,0.05640625,0,0,0,-0.304415507,0.26082313,-0.543400581,0.001014699,0.39938378,0,0,0,-0.122807018,0.164021164,-0.587301587,0.020408163,0.428571429,0,0,0,-0.122807018,0.164021164,-0.587301587,0.020408163,0.428571429,0,0,0,-0.122807018,0.164021164,-0.587301587,0.020408163,0.428571429,0,0,0,-0.122807018,0.164021164,-0.587301587,0.020408163,0.428571429,0,0,0,-0.122807018,0.164021164,-0.587301587,0.020408163,0.428571429,0,0,0,-0.68286762,0.437138807,-0.39548577,-0.071919249,0.354268891,0,0,0,1.846346304,0.746388332,1.811746608,0.738389048,8.64E-05,0,0,0,1.666666667,1.005291005,1.80952381,0.646258503,0,0,0,0,1.666666667,1.005291005,1.80952381,0.646258503,0,0,0,0,1.666666667,1.005291005,1.80952381,0.646258503,0,0,0,0,1.666666667,1.005291005,1.80952381,0.646258503,0,0,0,0,1.666666667,1.005291005,1.80952381,0.646258503,0,0,0,0,2.276741904,0.393632101,1.752698724,0.852376279,0,0,0,0,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,26.56077704,13.17483296,19.33341161,26.4200363,4.403339383,13.17483643,-0.211111111,0.108656501,0.018109417,-1.331738243,15.87117691,2.645196152,1.658702815,0,11.89,12.11007471,-0.159565128,0.061612327,5.441369373,8.276237026,5,19,19,19,5,0,0,0,0,0,15.304898,3.536230485,2.795885565,2.333552793,2.333552793,1.693926432,0.465682028,0.083923071,0.083923071,1.921652917,1.500448501,1.249629723,1.249629723,0.81785388,0.083923071,0.083923071,0.083923071,3.56118879,2.847396164,2.405454588,2.405454588,1.785944101,0.570324438,0.270913902,0.270913902,1.863549726,1.406028797,1.134540686,1.134540686,0.682533265,0.270913902,0.270913902,0.270913902,3.672933425,3.068012018,2.704236987,2.704236987,2.161906112,0.966354631,0.943918427,0.943918427,1.695601312,1.110688948,0.76031856,0.76031856,0.231160645,0.943918427,0.943918427,0.943918427,3.579687853,2.885071364,2.457539916,2.457539916,1.852274019,0.643930482,0.399277246,0.399277246,1.826788205,1.34435721,1.058262671,1.058262671,0.591986566,0.399277246,0.399277246,0.399277246,3.728423245,3.171248505,2.838982085,2.838982085,2.327576178,1.207644823,1.207644823,1.207644823,1.644327546,1.013150497,0.631337262,0.631337262,0.071241004,1.124405589,1.207644823,1.207644823,3.546835522,2.964324052,2.591598066,2.591598066,1.911717882,0.614226055,0.558139535,0.558139535,1.844600938,1.249661423,0.917179462,0.917179462,0.500980685,0.558139535,0.558139535,0.558139535,0,0,0,0,0,4,1,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.560660172,0.353553391,0,0,1.060660172,0.353553391,0,1.060660172,0.353553391,0,5.207106781,2.560660172,2.914213562,1.060660172,0,0,0,0,0.86785113,0.512132034,0.416316223,0.353553391,0,0,0,0,5.207106781,2.560660172,2.914213562,1.060660172,0,0,0,0,0.86785113,0.512132034,0.416316223,0.353553391,0,0,0,0,9.792794627,19.21485798,18.07843137,18.32,11.58988144,154.455091,0.489639731,0.960742899,0.903921569,0.916,0.579494072,7.722754551,2.4425,29.746,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,4,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,8.9375,0,1.270833333,0,0,0,0,0,0,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.208333333,0,1.270833333,0,0,0,0,0,0,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.243055556,0,1.270833333,0,0,0,0,0,0,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.75,1.791666667,0.2,2.243055556,0,0.541666667,4.60625,0.708333333,0.243055556,1.875,0.708333333,0.243055556,1.875,3,0.5,0,0,0.42,0.7,0.42,0.42,0.7,0,0,0,0,0.71429,0,0,0.66667,0,0.16667,2.5,0.41667,2.5,0.41667,0,0,-2.5,-0.41667,0,0,6.37132,1.06189,6.37132,0,0,2.56066,0.42678,2.56066,0,0,0.35334,0.05889,0.35334,0.05889,0,5,0,0,0,0,0,0,1,0.881290899,1.256779649,1.833206219,2.319973094,1.887780285,0.928946231,17.62581798,25.13559299,36.66412439,46.39946188,37.75560569,18.57892462,0.203911514,0.29079143,0.424163979,0.536791229,0.436791229,0.214937919,3.440637196,3.065148445,2.488721876,2.001955001,2.43414781,3.392981864,0.207463733,0.295857132,0.431553084,0.546142345,0.444400305,0.218682223,6.616095946,11.12196095,13.48644029,13.97701613,8.79070242,0.936215265,23.80204551,18.78122881,17.25008029,17.84117505,15.2480182,5.897247046,6,1.632653061,5.333333333,6,0,4,2.12,0.954,2.449489743,2.37841423,0,3.363585661,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,2.356,7,3,0,0,0,0,0,0,0,21,1.791759469,2.079441542,1.386294361,0,0,0,0,0,0,0,3.091042453,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,5,1,0,2,3,0.5,3,0.666666667,0,0,0,0,0,0,0,0,0.6,0.095238095,0,0,0,0,0,0,0,0,0.695238095,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,0,112.3323665,3.584962501,3.218875825,3.80666249,4.634728988,5.252273428,6.084499413,6.708084084,7.5416831,8.166500319,9.000483165,65.41379081,2.397895273,0,3.663561646,0,5.081404365,0,6.532334292,0,7.989899375,8.256088134,86.10955045,4.305477522,10.46599026,1.74433171,0,0,0,28,3,3.73,24,1.220894737,2.101556087,2.934917348,3.419631249,3.913067792,0,0,0,0,0,67.74862772,82.03263662,59.95978494,14.84026213,3.975927313,0,0,0,0,0,263.8372191,335.2297699,373.2035547,192.0195147,121.6327992,0,0,0,0,0,8.859366903,14.89911472,20.8380043,23.38372301,26.28980509,0,0,0,0,0,2.030985313,2.708801968,3.389222297,2.205909959,1.739800438,0,0,0,0,0,176.3944505,330.0515217,455.0966696,599.7676578,723.5953084,0,0,0,0,0,2.573585526,3.615967564,5.499790533,4.444396674,3.913067792,0,0,0,0,0,0.422269342,0.569501942,0.724531065,0.491177962,0.400698142,0,0,0,0,0,325.8798931,108.8222762,7.732559734,125.1027355,-41.7760185,-7.344627997,200.7771575,150.5982947,15.07718773,0.722599658,0.241300372,0.017146026,0.277400342,-0.092633321,-0.016285833,146.9661708,49.07695619,3.487250114,56.4191605,-18.84025864,-3.31229964,0.080166546,0.194049974,1.603197168,9.739765541,450.9826286,0,1,0,310.4078457,17.6183951,6.770866172,446.0263509,21.11933595,7.640471717,517.0378379,22.73846604,8.026153148,1.267790508,1.186876342,191.6180182,191.1846161,114.4536037,1.00226693,1.674198207,1.670411502,3.43042054,3.220194404,5.261228039,0.633823111,3.904607748,4.742685896,2.393103584,20.60989535,2.971554359,5.339918716,6.656402721,6.657263391,2.472768236,0.006683872,3.96E-24,4.53E-67,9.99E-132,4.25E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,4.742376808,0.12889629,7.648359242,1.01893633,0.168563135,0.355225937,0.321131147,0.017415909,4.71E-05,2.79E-26,3.19E-69,7.04E-134,2.99E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,4.742398013,0.463496457,9.607608419,1.169499924,0.728339878,1.181598879,1.19319005,0.181487198,4.91E-04,2.91E-25,3.32E-68,7.33E-133,3.12E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,4.742652155,2.209359401,19.57354669,2.764279689,4.847931876,6.107976014,6.120334734,2.20319198,0.00595521,3.53E-24,4.04E-67,8.90E-132,3.79E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,4.742425006,0.731067991,11.15640069,1.346495635,1.259824479,1.88541151,1.916918129,0.394214446,0.001065558,6.32E-25,7.22E-68,1.59E-132,6.77E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,4.742827645,3.124668492,24.72276898,3.838617706,7.360678241,8.871683145,8.814486789,3.606300078,0.0097478,5.78E-24,6.61E-67,1.46E-131,6.20E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.345841756,3.656522772,0.91273544,13.8550974,1.892217798,2.193511644,3.134508877,3.18511084,0.770316119,0.002082158,1.23E-24,1.41E-67,3.11E-132,1.32E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.160427149,1.163294415,1.138901807,0.484115949,0.260675015,0.468132096,0.484978538,0.446551088,4.462623371,6.298605333,13.62353135,0.226173924,1.399661723,1.558334683,0.667003787,0.662931678,0.539539102,0.230935388,0.24544171,0.159440935,0.150969997,2.888270148,2.5146625,6.091993867,0.309308654,0.555852643,1.809074743,0.873897736,0.861615031,0.510376662,0.246544269,0.329525105,0.273693486,0.255312811,3.54458751,3.892635738,8.799390362,0.265564994,0.858531402,2.146641285,1.151949418,1.12804361,0.48493757,0.260231439,0.462235222,0.475565185,0.438063134,4.426634313,6.193776343,13.40986191,0.227406354,1.375863541,1.915750705,0.961821597,0.945930838,0.501045935,0.251555069,0.369039888,0.331537213,0.307841675,3.82350314,4.564594782,10.13107992,0.251568902,1.008418775,2.203248648,1.198529372,1.172619108,0.481647873,0.262008159,0.486688108,0.514802441,0.47342713,4.574397127,6.629648124,14.30053154,0.22247181,1.474917679,2.151506752,1.154466076,1.128907331,0.485133008,0.260315056,0.464235507,0.477645385,0.438757084,4.434880159,6.215978519,13.45488562,0.227699512,1.380637975 +UMLMON0010,L,"2,2-Dimethylbutane",CCC(C)(C)C,6403,,"Sandia, UML",[1],C6H14,PubChem,,93.4,0,0.1078,0.01162084,42.3493,25.601516,0,0,22,10,12,0,10,0,0,0,0,0,0,0,0,0,1454.833978,1876.454508,2937.78477,1979.503018,1049.399405,161.54208,7.112448,0,0,4608.173951,6459.042217,10898.09698,9666.183432,5763.093529,1874.179307,217.586211,0,0,156.026728,175.897776,348.459912,488.95876,383.60498,192.907008,47.029248,0,0,33.22435486,46.82933172,82.26866649,82.88521181,52.89843037,20.4763382,3.112290334,0,0,3486.955385,3359.002846,6939.56505,10810.89554,9084.976774,4796.153005,1294.423564,0,0,39.61111111,49.66666667,89.66666667,111.4166667,84.83333333,39,7,0,0,66.12881718,78.1856045,61.20384938,28.68844954,19.07998918,5.76936,1.016064,0,0,209.4624523,269.1267591,227.0436871,140.089615,104.7835187,66.93497526,31.08374443,0,0,7.092124,7.329074,7.2595815,7.086358841,6.974636,6.889536,6.718464,0,0,1.510197948,1.951222155,1.713930552,1.201234954,0.961789643,0.731297793,0.444612905,0,0,158.4979721,139.9584519,144.5742719,156.6796456,165.1813959,171.2911787,184.917652,0,0,1.800505051,2.069444444,1.868055556,1.6147343,1.542424242,1.392857143,1,0,0,0.053883271,-0.001727711,-0.021858794,-0.017040043,0.015121768,-0.017919597,0.016482741,0,0,660.3600491,72.03927808,-142.0774651,-530.2891303,55.03000409,40.02182116,175.0954676,0,0,1227.96771,133.9601138,-264.1991133,-986.095282,102.3306425,74.42228543,325.5974988,0,0,0.12936,0.014112,-0.027832,-0.10388,0.01078,0.00784,0.0343,0,0,5.489587008,0.598864037,-1.181092962,-4.408304719,0.457465584,0.332702243,1.455572313,0,0,29.81952376,3.253038955,-6.415715717,-23.9459812,2.484960313,1.807243864,7.906691905,0,0,3.121212121,0.180899908,-1.362947658,-1.233700643,1.121212121,-0.846189164,0.580119376,0,0,0.00244924,-7.20E-05,-4.55E-04,-2.47E-04,2.75E-04,-6.40E-04,0.002354677,0,0,30.01636587,3.001636587,-2.95994719,-7.685349715,1.000545529,1.429350756,25.01363822,0,0,55.81671408,5.581671408,-5.504148194,-14.29123597,1.860557136,2.657938766,46.5139284,0,0,0.00588,5.88E-04,-5.80E-04,-0.001505507,1.96E-04,2.80E-04,0.0049,0,0,0.249526682,0.024952668,-0.024606103,-0.063888474,0.008317556,0.011882223,0.207938902,0,0,1.355432898,0.13554329,-0.133660744,-0.347043206,0.045181097,0.064544424,1.129527415,0,0,0.141873278,0.007537496,-0.028394743,-0.017879719,0.020385675,-0.030221042,0.082874197,0,0,-0.029391962,-0.185931807,-0.100830128,0.112255755,-0.261299711,0.961391151,0,0,0.1,-0.098611111,-0.256038647,0.033333333,0.047619048,0.833333333,0,0,0.1,-0.098611111,-0.256038647,0.033333333,0.047619048,0.833333333,0,0,0.1,-0.098611111,-0.256038647,0.033333333,0.047619048,0.833333333,0,0,0.1,-0.098611111,-0.256038647,0.033333333,0.047619048,0.833333333,0,0,0.1,-0.098611111,-0.256038647,0.033333333,0.047619048,0.833333333,0,0,0.053128371,-0.200141586,-0.126025984,0.14368932,-0.213014332,0.584142395,0,0,1.028621818,1.071985823,0.976488537,0.880529769,1.373247504,0.085711492,0,0,0.9625,1.122916667,1.199637681,0.875,0.825,0,0,0,0.9625,1.122916667,1.199637681,0.875,0.825,0,0,0,0.9625,1.122916667,1.199637681,0.875,0.825,0,0,0,0.9625,1.122916667,1.199637681,0.875,0.825,0,0,0,0.9625,1.122916667,1.199637681,0.875,0.825,0,0,0,0.996763754,1.127199636,1.021141128,0.858009709,1.261529126,0,0,0,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,51.07126949,23.65962904,36.14011418,51.0023806,5.10023806,23.65962904,-0.344444444,0.021131425,0.002113142,-3.856994031,47.71653426,4.771653426,3.865277968,0,11.8,12.20008287,-0.284116548,0.115994747,7.229990757,9.563653879,12,24,22,22,10,2,2,0,0,2,13.118484,3.924496123,3.334613846,2.619821451,2.513840825,2.148760675,1.952541824,0.916951974,0.848037925,1.83925593,1.735673169,1.509079677,1.310682496,0.644706107,0.585467999,0.359940978,0.330305947,3.938686808,3.354604103,2.649603633,2.548081358,2.194899589,2.007323963,1.037117756,0.973891901,1.800157868,1.685243917,1.445094537,1.247225664,0.515559101,0.448458557,0.205029689,0.171928522,4.00178965,3.4458246,2.789508727,2.708396636,2.405086451,2.254546524,1.520803052,1.475676956,1.692254405,1.542769424,1.263268085,1.069354187,0.102621805,7.93E-04,0.316106163,0.365957075,3.949170337,3.369505515,2.672048999,2.573877882,2.229389283,2.048198198,1.123485477,1.064033653,1.775934004,1.653641406,1.404848413,1.207536974,0.430303631,0.357328503,0.100920638,0.065166415,4.033123113,3.492284326,2.862276356,2.791046315,2.509509028,2.375187786,1.728371358,1.689050719,1.660503916,1.500197419,1.209026818,1.017010369,0.034743609,0.152256589,0.500539769,0.558989443,3.944004565,3.49762675,2.704301905,2.630116164,2.249648149,2.0955655,1.28071553,1.214926233,1.79637798,1.638191713,1.325339285,1.080819941,0.288129307,0.240439249,0.056814303,0.100637309,0,0,0,4,0,0,2,4,0,0,0,0.314269681,0.549943305,0.995781916,0,0,0.23570226,0.410119041,0.664934689,0.60549886,0,0.191638319,0,0.519359402,0,0.146277398,0,1.783239899,3.238492022,3.743456942,1.406276641,2.328372981,2.432082526,6.552041764,4.949489743,4.591824721,4.349603133,4.018442913,2.638605413,1.78720836,1.047137179,0.655204176,0.412457479,0.255101373,0.161096412,0.103036998,0.065965135,0.044680209,0.029918205,6.033015716,4.299659829,3.853371151,3.455101994,2.972928357,1.802560446,1.104858789,0.581431086,0.603301572,0.358304986,0.214076175,0.127966741,0.076228932,0.045064011,0.02762147,0.016612317,13.25096682,21.32702112,20.35294118,20.56,14.79132695,165.140309,0.602316674,0.969410051,0.92513369,0.934545455,0.672333043,7.506377681,2.23698,40.934,69.06457753,80.68215568,138.1291551,13.81291551,69.06457753,0.106208875,0.010620887,-2.242347608,63.62998505,6.362998505,4.153084822,84,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,6,4,0,4,0,0,0,0,0,0,0,0,0,0,2,0,4,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.695092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.115069444,0,0,1.884930556,1.304791667,0,1.115069444,0,0,0,0,0,0,0,0,0,0,2.815324074,0,9.695092593,0,3.822916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.376481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,0.281180556,0.315902778,0,0.272916667,0,0,0,0,0,0,0,0,0,0,1.357314815,0,2.376481481,0,0.924768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.443287037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,0.333680556,0.333680556,0,0.290694444,0,0,0,0,0,0,0,0,0,0,1.458009259,0,2.443287037,0,1.009259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.33333333,1.633333333,0.333680556,2.443287037,0.272916667,0.924768519,5.696351713,0.408564815,0.443287037,3.390185185,0.408564815,0.443287037,3.390185185,5,0.5,0,0,0.48182,0.7,0.45385,0.45385,0.7,0.02797,0.02797,0,0,0.71429,0,0,0,0.4,0,8,0.8,6,0.6,2,0.2,-4,-0.4,0,0,8.413,0.8413,10.7571,2.3441,0.23441,3.9443,0.39443,4.94947,1.00516,0.10052,-0.03547,-0.00355,0.22253,0.02225,0.454545455,54,0,0,0,0,0,0,0.6,0.994030211,2.42511855,3.481714573,3.970573096,4.186704346,4.277613437,21.86866465,53.35260811,76.59772061,87.35260811,92.10749561,94.10749561,0.222905136,0.543817858,0.780752991,0.890376495,0.938842593,0.959228396,3.465401407,2.034313068,0.977717046,0.488858523,0.272727273,0.181818182,0.211476005,0.515934401,0.740721035,0.844723756,0.890704827,0.910045377,6.685280239,18.35248477,23.41450322,25.28365096,26.50076208,26.59238254,36.74662124,27.47050302,19.99424877,16.95099589,15.26525756,15.04167286,5.625,1.777777778,0.614540466,0,2,0,2.56,1.1058,0,0,0,0,6.137143265,12.89483918,0,4.242640687,0,0,0,0,0,0,0,0,0,0,0,0.003,0.159,0.192,0.621,0.876,4.8,18,27,39,40,40,35,25,10,0,256,2.708050201,3.135494216,3.610917913,4.077537444,4.234106505,4.418840608,4.48863637,4.394449155,3.713572067,0,6.212606096,1.9453125,0.25,3,0,0,3,0,0,0,0,0,0,0,0,3,0,0,1,0,1,1,0,0,0,0,6,0,3,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,4,0.333333333,1.5,1.333333333,0.375,0.097222222,0,0,0,0,0,0,0.125,0.074074074,0.0375,0.019444444,0,0,0,0,0,0,0.256018519,19.93805946,28.6921748,39.87611892,3.987611892,19.93805947,0.04889705,0.004889705,-3.018038216,55.07549411,5.507549411,4.008704864,0,139.1740115,4.321928095,4.110873864,5.017279837,5.937536205,6.857514063,7.78113851,8.703672758,9.627536403,10.55072168,11.47450683,92.06078015,3.218875825,0,4.574710979,3.433987204,6.137727054,5.777652323,7.806696373,7.867488569,9.535679436,9.896211144,132.0939004,6.004268199,21.19820746,2.119820746,0,0,0,98,10,3.722,60,1.294802911,2.240524453,3.024818184,3.881970769,4.606541731,5.59407332,0,0,0,0,113.512529,142.8446017,92.92683832,78.38719007,27.90389255,5.683936514,0,0,0,0,377.152249,523.0695464,443.6552599,418.8628046,318.3482297,173.8847454,0,0,0,0,9.52899289,16.28996976,21.48952899,27.10177977,31.78469748,37.58358021,0,0,0,0,2.682091109,3.921875463,3.76218156,3.806736152,3.448794696,2.487197189,0,0,0,0,178.7726836,322.2620301,469.8628409,639.3417605,785.2555242,1034.442904,0,0,0,0,2.738538277,4.231765869,4.984330498,6.074802123,6.53404671,5.59407332,0,0,0,0,0.549500388,0.811740153,0.796435287,0.817063227,0.759828729,0.572833108,0,0,0,0,280.48545,135.2200598,11.85318594,52.8651831,-25.48593241,-3.853047669,227.6202669,160.7059922,15.70623361,0.841412681,0.405639127,0.035557712,0.158587319,-0.076453829,-0.011558543,93.50000234,45.07569254,3.951267039,17.62264226,-8.495751703,-1.28441588,0.118650558,0.181178447,3.233745428,1.424454457,333.3506331,0,1,0,798.2621948,28.2535342,9.27645098,915.355877,30.25484882,9.70949535,1458.555464,38.19103906,11.34072927,1.137435863,1.092239603,425.5866821,370.8312794,160.1954003,1.147655836,2.656672298,2.31486846,3.736637101,3.885360026,6.5637765,0.689361206,3.673549246,6.735196842,4.943847362,14.88133977,11.67192746,10.56587754,12.11719505,6.538914105,3.464155767,1.353063282,0.973306239,1.506282188,5.44E-09,8.58E-39,2.61E-90,1.53E-163,1.73E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0.308395649,6.735106184,2.360527956,7.131649475,2.041998401,0.787183567,1.221154059,0.539836973,0.091037989,0.106986065,0.006859064,0.010608869,3.83E-11,6.04E-41,1.84E-92,1.08E-165,1.22E-260,0,0,0,0,0,0,0,0,0,0,0,0,0,0.995295241,6.735113285,2.810919164,8.232885185,3.625765573,2.383210716,2.515707091,1.229996346,0.425452732,0.349691348,0.07144542,0.11055259,3.99E-10,6.30E-40,1.91E-91,1.12E-164,1.27E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,3.467536954,6.735187257,4.758486878,14.23687431,10.94728418,9.825721638,11.12129926,5.982608901,3.132383346,1.272659486,0.867201083,1.342070311,4.85E-09,7.64E-39,2.32E-90,1.36E-163,1.54E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,1.466830276,6.735121545,3.142937558,9.131561326,4.826368077,3.597605389,3.680383135,1.862437652,0.760160709,0.519758748,0.155179183,0.240134999,8.68E-10,1.37E-39,4.16E-91,2.44E-164,2.76E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,4.436320036,6.73523691,5.661050438,17.46056721,14.50835799,13.46701712,16.17793108,8.813309416,4.834797301,1.655440124,1.419462666,2.196771009,7.94E-09,1.25E-38,3.80E-90,2.23E-163,2.52E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,2.266222565,5.935681891,3.346708405,9.994808557,7.004371959,5.169966372,6.376014055,3.620831256,1.623194379,0.981768783,0.364857273,0.564620562,2.04E-09,3.22E-39,9.78E-91,5.73E-164,6.49E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,3.013545021,1.499532961,0.880652545,0.558712566,0.278014067,0.484704816,0.534890439,0.360870448,5.393730528,8.493363701,17.8666839,0.338068848,1.380465702,2.411238129,0.813944645,0.403121264,0.664563417,0.224331984,0.31133452,0.159080373,0.075010117,3.628304039,3.262754121,7.682229743,0.496845125,0.545425011,2.613348363,1.047973467,0.565274103,0.618310433,0.247947399,0.364978043,0.264592604,0.14825379,4.226595933,4.808370158,10.58309344,0.42746565,0.777824437,2.994232163,1.478116916,0.865601298,0.560932933,0.276907204,0.478499587,0.520346063,0.348638401,5.337950377,8.29709638,17.46604681,0.3413994,1.34748405,2.717369792,1.166895179,0.647962868,0.599566017,0.257466134,0.394340346,0.327778664,0.195081175,4.532227839,5.687745181,12.27458922,0.399349025,0.917200185,3.07594363,1.568461583,0.929167345,0.551880073,0.281410454,0.505059355,0.582694529,0.401708838,5.573572558,9.139929075,19.19626895,0.327820109,1.489462721,3.016533864,1.480804817,0.865833883,0.562453255,0.276106129,0.485297735,0.523208393,0.348252554,5.363172564,8.360846088,17.59161018,0.343679882,1.356758682 +UMLMON0011,L,dicyclopentadiene,C1C=CC2C1C3CC2C=C3,6492,,UML,[1],C10H12,PubChem,,95.9,0,0.3362,0.11303044,23.0781,16.801516,0,0,17,5,12,0,5,0,0,0,0,0,0,0,0,0,733.513373,722.34154,780.930532,544.894898,169.670592,18.289152,0,0,0,2490.589442,3070.907003,3840.690913,3576.938553,2122.849263,559.5073998,0,0,0,118.324148,115.573648,211.228816,251.492168,246.65472,120.932352,0,0,0,19.27985486,24.51813172,33.41843801,34.07326687,24.03324144,8.003032287,0,0,0,2852.983605,2344.647997,4806.314708,5904.886795,6275.494221,3328.517736,0,0,0,28.02777778,32.66666667,47.33333333,57,48,18,0,0,0,43.14784547,45.14634625,26.03101773,15.13596939,4.713072,1.016064,0,0,0,146.5052613,191.9316877,128.0230304,99.35940425,58.96803508,31.08374443,0,0,0,6.960244,7.223353,7.040960533,6.985893556,6.85152,6.718464,0,0,0,1.134109109,1.532383233,1.113947934,0.946479635,0.66759004,0.444612905,0,0,0,167.822565,146.5404998,160.2104903,164.0246332,174.3192839,184.917652,0,0,0,1.64869281,2.041666667,1.577777778,1.583333333,1.333333333,1,0,0,0,0.024097139,-0.005577076,-0.002160584,-0.010416377,-0.003449456,0.009554923,0,0,0,427.2917965,-60.32354774,-56.13441248,-235.4294016,-50.26962311,188.5110867,0,0,0,794.5673416,-112.1742129,-104.384337,-437.7910254,-93.47851077,350.5444154,0,0,0,0.083703529,-0.011816969,-0.010996346,-0.046119003,-0.009847474,0.036928028,0,0,0,3.552085711,-0.501470924,-0.466646554,-1.957129578,-0.417892437,1.567096637,0,0,0,19.29498596,-2.723998018,-2.534831489,-10.63115893,-2.269998348,8.512493806,0,0,0,2.496732026,-1.31064975,0.476355248,-0.453863899,-0.875432526,0.915224913,0,0,0,0.001417479,-3.49E-04,-7.20E-05,-2.89E-04,-9.58E-05,5.31E-04,0,0,0,25.13481156,-3.770221734,-1.871147083,-6.5397056,-1.39637842,10.47283815,0,0,0,46.73925539,-7.010888308,-3.479477901,-12.16086182,-2.596625299,19.47468974,0,0,0,0.004923737,-7.39E-04,-3.67E-04,-0.001281083,-2.74E-04,0.002051557,0,0,0,0.208946218,-0.031341933,-0.015554885,-0.054364711,-0.011608123,0.087060924,0,0,0,1.134999174,-0.170249876,-0.084494383,-0.29530997,-0.06305551,0.472916323,0,0,0,0.14686659,-0.081915609,0.015878508,-0.012607331,-0.02431757,0.050845829,0,0,0,-0.245906484,-0.050808152,-0.204125661,-0.067597637,0.374488168,0,0,0,-0.15,-0.074444444,-0.260185185,-0.055555556,0.416666667,0,0,0,-0.15,-0.074444444,-0.260185185,-0.055555556,0.416666667,0,0,0,-0.15,-0.074444444,-0.260185185,-0.055555556,0.416666667,0,0,0,-0.15,-0.074444444,-0.260185185,-0.055555556,0.416666667,0,0,0,-0.15,-0.074444444,-0.260185185,-0.055555556,0.416666667,0,0,0,-0.557755236,0.108115183,-0.085842059,-0.165575916,0.346204188,0,0,0,1.792628993,1.085756573,1.240142883,0.836104827,1.79E-05,0,0,0,1.7,1.208888889,1.259259259,0.755555556,0,0,0,0,1.7,1.208888889,1.259259259,0.755555556,0,0,0,0,1.7,1.208888889,1.259259259,0.755555556,0,0,0,0,1.7,1.208888889,1.259259259,0.755555556,0,0,0,0,1.7,1.208888889,1.259259259,0.755555556,0,0,0,0,2.158376963,0.729842932,1.142233857,1.068062827,0,0,0,0,14.91858854,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,-1.78E-15,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,14.91858854,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,-1.78E-15,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,14.91858854,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,-1.78E-15,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,14.91858854,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,-1.78E-15,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,14.91858854,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,-1.78E-15,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,14.91858854,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,-1.78E-15,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19.04561848,9.44642035,14.67123205,18.95395181,3.790790362,9.446563727,-0.152777778,0.059659743,0.011931949,-1.409548904,10.93742667,2.187485334,1.196095273,0,11.89,12.11005553,-0.164834017,0.055802357,5.126992646,7.020913596,4,16,16,16,4,0,0,0,0,0,13.118484,3.436053414,2.757162924,2.333552793,1.74701597,0.987460973,0.083923071,0.083923071,0.083923071,1.879820889,1.479823839,1.249629723,0.850338063,0.382018208,0.083923071,0.083923071,0.083923071,3.466127007,2.81034045,2.405454588,1.837020921,1.110191623,0.270913902,0.270913902,0.270913902,1.815440778,1.383559899,1.134540686,0.717017599,0.224006118,0.270913902,0.270913902,0.270913902,3.598324271,3.03749745,2.704236987,2.205306933,1.593856555,0.943918427,0.943918427,0.943918427,1.624670542,1.081321637,0.76031856,0.273258628,0.319939306,0.943918427,0.943918427,0.943918427,3.488286403,2.849202999,2.457539916,1.901928269,1.197573369,0.399277246,0.399277246,0.399277246,1.774306747,1.320593226,1.058262671,0.627879323,0.117102762,0.399277246,0.399277246,0.399277246,3.662552056,3.143442614,2.838982085,2.367920828,1.798742767,1.207644823,1.207644823,1.207644823,1.564855323,0.981104075,0.631337262,0.116401873,0.520282299,1.207644823,1.207644823,1.207644823,3.474673436,2.94680938,2.60407788,1.975063151,1.262209987,0.566037736,0.566037736,0.566037736,1.773400793,1.209675239,0.905964672,0.524954837,0.018649614,0.566037736,0.566037736,0.566037736,0,0,0,0,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0.40824829,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,8.250966823,16.32702112,15.35294118,15.56,9.791326946,131.4268359,0.48535099,0.960413007,0.903114187,0.915294118,0.575960409,7.730990349,2.0524,25.129,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,6.643518519,0,1.305555556,0,0,0,0.884259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.199074074,0,1.305555556,0,0,0,0.884259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.222222222,0,1.305555556,0,0,0,0.884259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.833333333,1.766666667,0.2,2.222222222,0.2,0.884259259,3.875087963,0.449074074,0.222222222,1.287037037,0.449074074,0.222222222,1.287037037,2.5,0.5,0,0,0.41765,0.7,0.41765,0.41765,0.7,0,0,0,0,0.71429,0,0,0.6,0.2,0,2,0.4,2,0.4,0,0,-2,-0.4,0,0,4.43249,0.8865,4.43249,0,0,2.27005,0.45401,2.27005,0,0,0.14395,0.02879,0.14395,0.02879,0,4,0,0,0,0,0,0,1,0.873981048,1.277201811,2.173973135,2.660129753,2.179251771,0.971911945,14.85767782,21.71243079,36.95754329,45.22220579,37.04728011,16.52250306,0.213819937,0.312468116,0.531863706,0.650802186,0.533155127,0.237778784,3.213481793,2.81026103,1.913489707,1.427333089,1.90821107,3.115550896,0.218495262,0.319300453,0.543493284,0.665032438,0.544812943,0.242977986,6.588780814,11.42742997,14.11252476,14.60248557,8.831949795,0.979517187,19.83472123,15.09086009,14.02537168,14.16019229,11.2749244,4.506618548,5,2.25,4,5,0,4,2.01,0.8131,1.144714243,1.889881575,2.381101578,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,2.041,4,2,0,0,0,0,0,0,0,15,1.609437912,1.609437912,1.098612289,0,0,0,0,0,0,0,2.772588722,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,4,1,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,0,95.03638183,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,72.09390038,4.24081767,8.696801932,1.739360386,0,0,0,18,2,3.124,16,1.2155,2.091621178,2.863343203,3.446051891,4.115155856,0,0,0,0,0,65.03495578,62.3904171,47.82482086,17.40723262,4.181261719,0,0,0,0,0,257.0304509,291.4144008,298.7912011,211.9993937,127.9144529,0,0,0,0,0,8.812494779,14.78443243,20.04136918,23.65264872,27.64752647,0,0,0,0,0,1.991404788,2.477132363,2.801831114,2.370859153,1.829651399,0,0,0,0,0,176.0959978,330.9145584,466.8123526,597.3714165,760.9649585,0,0,0,0,0,2.537166667,3.434054757,4.644254449,4.699842646,4.115155856,0,0,0,0,0,0.414511875,0.525100859,0.603524994,0.525397321,0.42139196,0,0,0,0,0,320.2387707,92.8247418,7.655435269,145.9846401,-42.31525899,-8.564313563,174.2541307,135.1400008,16.21974883,0.686878358,0.199099272,0.016420101,0.313121642,-0.090761764,-0.018369549,149.302812,43.27706773,3.569143142,68.06145682,-19.72836437,-3.992883481,0.101360989,0.224051029,2.053958423,13.06347447,466.2234108,0,1,0,248.3262766,15.75837163,6.285515363,364.5707096,19.09373482,7.143766615,368.1829809,19.18809477,7.16728328,1.267790508,1.186876342,186.2243751,142.7019021,67.41636493,1.304988738,2.762302229,2.116724956,3.253688013,3.220194404,5.261228039,0.633823111,3.346806641,3.794134052,1.964803369,12.35254195,3.808060065,2.687906091,3.564863284,6.657112493,1.876965427,0.006683872,3.96E-24,4.53E-67,9.99E-132,4.25E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.28087429,3.793901362,0.117901153,4.327785163,0.525903081,0.084417762,0.252753718,0.321130085,0.013219621,4.71E-05,2.79E-26,3.19E-69,7.04E-134,2.99E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.906696446,3.793917383,0.411563119,5.412198172,0.755395065,0.365499692,0.747367955,1.193178975,0.137758643,4.91E-04,2.91E-25,3.32E-68,7.33E-133,3.12E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.15911246,3.794108671,1.822257892,11.66542288,3.451306405,2.439958441,3.297904502,6.120200287,1.672342403,0.00595521,3.53E-24,4.04E-67,8.90E-132,3.79E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336303737,3.793937727,0.637895299,6.320992253,1.043717658,0.632786399,1.14078374,1.916894072,0.299230181,0.001065558,6.32E-25,7.22E-68,1.59E-132,6.77E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041753714,3.794240666,2.526056809,15.11900666,5.305882881,3.706502362,4.62617874,8.814266718,2.737377675,0.0097478,5.78E-24,6.61E-67,1.46E-131,6.20E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.995692817,3.140274202,0.849191287,7.83540372,1.714739551,1.133643829,1.897012397,3.275844955,0.601377317,0.002141504,1.27E-24,1.45E-67,3.20E-132,1.36E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.427091101,1.2510663,0.545210867,0.574681379,0.296224772,0.510803151,0.477090672,0.439916155,4.223368268,5.04182327,10.9206981,0.362022069,1.427809978,1.813650618,0.770195756,0.165976982,0.659551682,0.280089175,0.286860091,0.182553256,0.041462335,2.749823355,1.82572503,4.807395989,0.489327522,0.510875682,2.071390371,0.972615682,0.325537748,0.614739114,0.288649069,0.37311756,0.28991478,0.158335578,3.369543801,3.005605633,7.030999513,0.422108671,0.821367918,2.413252771,1.240250647,0.536674805,0.575930818,0.295989951,0.505041298,0.468972534,0.426401201,4.190178222,4.953781543,10.75024802,0.363896227,1.400415033,2.180053477,1.057782551,0.392706367,0.600475973,0.291356617,0.41288187,0.342330833,0.229729107,3.630542395,3.577541353,8.113673477,0.400713959,0.98494181,2.470014698,1.284605968,0.571683099,0.570929558,0.296929212,0.528884293,0.502699171,0.483140561,4.326303765,5.319448801,11.45970054,0.356394337,1.514724026,2.420268576,1.24243583,0.536632147,0.576345464,0.295864791,0.507908162,0.470517398,0.426001837,4.199336553,4.972553327,10.78555798,0.364518197,1.404427398 +UMLMON0012,L,2-Methylbutane,CCC(C)C,6556,"""isopentane""; [4] has RON/MON of 93/89.7","Sandia, UML",[1],C5H12,PubChem,,90.3,0,1.8614,3.46480996,24.5764,14.134344,0,0,13,5,8,0,5,0,0,0,0,0,0,0,0,0,729.449117,673.913188,691.100596,460.059602,120.140496,10.16064,0,0,0,2366.254464,2611.960538,2882.115876,2515.513922,1374.550736,310.8374443,0,0,0,91.450292,87.10312,127.813072,128.164808,137.961792,67.18464,0,0,0,17.50140324,20.06395448,23.40056331,22.05664615,14.91264074,4.446129048,0,0,0,2113.312997,1732.157806,2809.868614,2767.139684,3412.197102,1849.17652,0,0,0,36.77777778,37.66666667,43,48.33333333,36,10,0,0,0,56.11147054,56.15943233,38.39447756,25.55886678,6.0070248,1.016064,0,0,0,182.0195742,217.6633782,160.1175487,139.7507734,68.7275368,31.08374443,0,0,0,7.034637846,7.258593333,7.100726222,7.120267111,6.8980896,6.718464,0,0,0,1.346261788,1.671996207,1.300031295,1.225369231,0.745632037,0.444612905,0,0,0,162.5625382,144.3464838,156.1038119,153.7299825,170.6098551,184.917652,0,0,0,2.829059829,3.138888889,2.388888889,2.685185185,1.8,1,0,0,0,0.04586352,-0.009952446,-0.001123338,-0.019580794,-0.012674402,0.020399219,0,0,0,372.5107969,-45.8474827,15.04370526,-273.6521624,-60.89118796,179.0917293,0,0,0,692.6997337,-85.25535183,27.97441232,-508.8678813,-113.2297642,333.0287181,0,0,0,0.072972308,-0.008981207,0.002946959,-0.05360658,-0.011928166,0.03508284,0,0,0,3.096690107,-0.38113109,0.125058639,-2.274876194,-0.506189729,1.488793321,0,0,0,16.82126981,-2.070310131,0.679320512,-12.35716359,-2.749630642,8.087148947,0,0,0,7.025641026,-2.946745562,1.494411571,-1.744904668,-2.945430638,2.629848784,0,0,0,0.003527963,-8.29E-04,-6.24E-05,-0.001087822,-6.34E-04,0.002039922,0,0,0,28.65467669,-3.820623558,0.835761403,-15.20289791,-3.044559398,17.90917293,0,0,0,53.2845949,-7.104612653,1.554134018,-28.27043785,-5.661488208,33.30287181,0,0,0,0.005613254,-7.48E-04,1.64E-04,-0.002978143,-5.96E-04,0.003508284,0,0,0,0.238206931,-0.031760924,0.006947702,-0.126382011,-0.025309486,0.148879332,0,0,0,1.293943832,-0.172525844,0.037740028,-0.686509088,-0.137481532,0.808714895,0,0,0,0.540433925,-0.24556213,0.083022865,-0.096939148,-0.147271532,0.262984878,0,0,0,-0.235084788,-0.017689427,-0.308342761,-0.179627762,0.578215208,0,0,0,-0.133333333,0.029166667,-0.530555556,-0.10625,0.625,0,0,0,-0.133333333,0.029166667,-0.530555556,-0.10625,0.625,0,0,0,-0.133333333,0.029166667,-0.530555556,-0.10625,0.625,0,0,0,-0.133333333,0.029166667,-0.530555556,-0.10625,0.625,0,0,0,-0.133333333,0.029166667,-0.530555556,-0.10625,0.625,0,0,0,-0.454379562,0.153622601,-0.179372803,-0.272506083,0.486618005,0,0,0,1.351402823,0.886610173,1.32613749,1.07165336,0.052064099,0,0,0,1.3,0.975,1.516666667,0.8775,0,0,0,0,1.3,0.975,1.516666667,0.8775,0,0,0,0,1.3,0.975,1.516666667,0.8775,0,0,0,0,1.3,0.975,1.516666667,0.8775,0,0,0,0,1.3,0.975,1.516666667,0.8775,0,0,0,0,1.636861314,0.590429846,1.228304947,1.281021898,0,0,0,0,11.54570973,5.772854865,9.052051674,11.54570973,2.309141946,5.780645441,2.66E-15,0.010545422,0.002109084,-2.276031743,12.26040891,2.452081781,1.253187641,11.54570973,5.772854865,9.052051674,11.54570973,2.309141946,5.780645441,2.66E-15,0.010545422,0.002109084,-2.276031743,12.26040891,2.452081781,1.253187641,11.54570973,5.772854865,9.052051674,11.54570973,2.309141946,5.780645441,2.66E-15,0.010545422,0.002109084,-2.276031743,12.26040891,2.452081781,1.253187641,11.54570973,5.772854865,9.052051674,11.54570973,2.309141946,5.780645441,2.66E-15,0.010545422,0.002109084,-2.276031743,12.26040891,2.452081781,1.253187641,11.54570973,5.772854865,9.052051674,11.54570973,2.309141946,5.780645441,2.66E-15,0.010545422,0.002109084,-2.276031743,12.26040891,2.452081781,1.253187641,11.54570973,5.772854865,9.052051674,11.54570973,2.309141946,5.780645441,2.66E-15,0.010545422,0.002109084,-2.276031743,12.26040891,2.452081781,1.253187641,17.02557197,8.36834154,13.45815433,16.85223863,3.370447727,8.368861269,-0.288888889,0.05598953,0.011197906,-1.441295282,12.99388184,2.598776368,1.282239309,0,11.79,12.21002884,-0.293085342,0.128161241,5.216910898,7.225503793,4,12,10,10,2,2,2,0,0,2,8.745656,3.506331298,2.764613634,2.222859049,1.195483278,0.375996274,0.083923071,0.083923071,0.083923071,1.81439309,1.368288514,1.103885086,0.443024563,0.083923071,0.083923071,0.083923071,0.083923071,3.524951184,2.804147587,2.291387996,1.296340011,0.498328236,0.270913902,0.270913902,0.270913902,1.764867156,1.280491551,0.992549805,0.293590896,0.270913902,0.270913902,0.270913902,0.270913902,3.610337571,2.982224537,2.577669406,1.714145817,0.960746841,0.943918427,0.943918427,0.943918427,1.628099892,1.018280621,0.631605629,0.208535676,0.943918427,0.943918427,0.943918427,0.943918427,3.538851994,2.833553284,2.341133305,1.369538694,0.584350256,0.399277246,0.399277246,0.399277246,1.734126967,1.224072766,0.91884751,0.193271309,0.399277246,0.399277246,0.399277246,0.399277246,3.654102306,3.070295529,2.70733767,1.899062113,1.207644823,1.207644823,1.207644823,1.207644823,1.588143398,0.936625274,0.507637922,0.387037054,1.145151215,1.207644823,1.207644823,1.207644823,3.513270313,2.921219723,2.371533841,1.384881941,0.515795136,0.428571429,0.428571429,0.428571429,1.78218891,1.186509503,0.849274809,0.174442018,0.428571429,0.428571429,0.428571429,0.428571429,0,0,2,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.204124145,0,0,0,0.40824829,0,0,0.144337567,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.491563832,1.550476816,1.050476816,0.348461713,0,0,0,0,0.698312766,0.387619204,0.262619204,0.174230856,0,0,0,0,7.167311215,12.55134741,11.90196078,12.04,8.194217964,98.85571497,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,1.60088,24.471,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,1,0,0,0,1,0,3,0,0,0,0,0,0,0,0,1,2,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.756944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.856597222,0.422222222,0,0,0,0.333680556,0,1.278819444,0,0,0,0,0,0,0,0,1.909722222,7.016203704,0,0,1.722222222,0,0,0,0,1.018518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.018518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.422222222,0,0,0,0.333680556,0,0.422222222,0,0,0,0,0,0,0,0,1.909722222,3.460648148,0,0,1.722222222,0,0,0,0,1.018518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.434375,0.422222222,0,0,0,0.333680556,0,0.434375,0,0,0,0,0,0,0,0,1.909722222,3.555555556,0,0,1.722222222,0,0,0,0,1.018518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.66666667,2.333333333,0.434375,3.555555556,0.1875,1.018518519,3.394763889,0.648148148,0.555555556,2.032407407,0.648148148,0.555555556,2.032407407,2.5,0.5,0,0,0.45385,0.7,0.41765,0.41765,0.7,0.0362,0.0362,0,0,0.71429,0,0,0.6,0.2,0,5,1,2,0.4,3,0.6,1,0.2,0,0,1.95603,0.39121,4.43249,2.47646,0.49529,1.01856,0.20371,2.27005,1.25149,0.2503,0.14395,0.02879,0.14395,0.02879,0,4,0,0,0,0,0,0,0.2,0.961236605,2.28778372,2.719294526,3.026986833,2.457688415,1.319091579,12.49607586,29.74118836,35.35082883,39.35082883,31.9499494,17.14819052,0.259762806,0.61824645,0.734857134,0.818007335,0.664161181,0.356468874,2.739203113,1.412655998,0.981145192,0.673452885,1.242751303,2.381348139,0.252468347,0.60088533,0.714221443,0.795036684,0.64551072,0.34645879,6.796774065,16.25915141,18.38514265,18.69524266,11.86366164,1.329413513,19.35422196,14.22465798,12.38153552,11.95049569,8.534705181,3.126370208,5,2.25,4,5,4,4,2.01,0.7271,1.144714243,1.889881575,2.381101578,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.127,0.124,0.183,0.302,2.032,4,2,0,0,0,0,0,0,0,15,1.945910149,2.079441542,1.945910149,0,0,0,0,0,0,0,3.218875825,1.6,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,2,0.5,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,0,89.76346443,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,68.06260026,5.235584635,8.696801932,1.739360386,0,0,0,18,2,2.348,16,1.196,2.10664765,2.971523845,3.556040489,4.146565586,0,0,0,0,0,75.1401554,89.84372896,78.94668717,21.96044306,4.213176015,0,0,0,0,0,278.9551442,362.2004484,423.59184,248.9174542,128.8907849,0,0,0,0,0,8.706791628,15.01230567,21.17591648,24.55145194,27.85855161,0,0,0,0,0,2.100787256,2.888477616,3.691247202,2.687638367,1.84361657,0,0,0,0,0,171.0499271,325.0445479,455.5414747,604.9777444,766.7731721,0,0,0,0,0,3.853805556,5.295696138,8.044190921,6.432216548,4.146565586,0,0,0,0,0,0.4350675,0.60548617,0.784046373,0.591762749,0.424608316,0,0,0,0,0,295.8823956,106.2478071,12.5177087,218.2221925,-78.36096283,-14.43504522,77.66020312,184.6087699,26.95275392,0.575529576,0.206665744,0.024348564,0.424470424,-0.15242222,-0.028078032,152.1144971,54.62248509,6.435411477,112.1890304,-40.28573052,-7.421122976,0.171055272,0.27419753,4.756604884,6.864021478,514.1045881,0,1,0,305.925763,17.49073363,6.738119113,384.4836131,19.6082537,7.271532422,439.0708088,20.95401653,7.600547103,1.416161213,1.058136742,165.2246728,118.9870947,49.6084266,1.388593218,3.330576762,2.398525873,3.025896013,3.315270577,5.430461831,0.638014667,2.639531139,2.122063837,3.184239456,5.377359902,0.501315053,3.080710812,3.239512878,3.756500015,0.067698353,0.616587097,8.18E-15,2.09E-50,1.03E-107,9.82E-187,1.80E-287,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.221549681,1.216023298,0.190495859,2.370475723,0.010867261,0.130421049,0.216978274,0.119433154,4.77E-04,0.004342673,5.76E-17,1.47E-52,7.27E-110,6.92E-189,1.27E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.715111246,1.276566837,0.664871995,2.888495742,0.055641785,0.475859155,0.736399698,0.514578702,0.004968684,0.045254004,6.00E-16,1.54E-51,7.58E-109,7.21E-188,1.32E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.491504046,2.022588562,2.952600881,5.159407731,0.451714031,2.809256306,3.019968231,3.410993245,0.060318015,0.549368002,7.29E-15,1.86E-50,9.20E-108,8.75E-187,1.61E-287,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.053925787,1.355064612,1.031108594,3.272530149,0.102808592,0.789234566,1.121928557,0.888941626,0.010792637,0.098297745,1.30E-15,3.33E-51,1.65E-108,1.57E-187,2.87E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.187608834,2.540343923,4.096806229,6.222798796,0.707192569,4.188926525,4.091568271,5.175240909,0.098731675,0.899234333,1.19E-14,3.05E-50,1.51E-107,1.43E-186,2.63E-287,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.234541978,0.964011672,0.952135609,3.330050046,0.124892669,0.802731341,1.393689132,1.047452746,0.012434398,0.113250691,1.50E-15,3.84E-51,1.90E-108,1.80E-187,3.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.694240069,1.357791028,0.128641396,0.644451359,0.324778138,0.557762398,0.494377812,0.153846154,4.180672493,4.179473931,8.830744308,0.466677038,1.205986364,1.731955568,0.704040634,0.024746647,0.703834441,0.286108983,0.228585502,0.136071998,0.005693219,2.460742849,1.279649835,3.770567932,0.555751661,0.370350719,2.086292282,0.948013822,0.063211941,0.673536764,0.306055948,0.332308147,0.244847206,0.037146971,3.097518045,2.169638299,5.392179065,0.510305147,0.614302323,2.667429647,1.339898342,0.125767437,0.64538303,0.324187613,0.546540738,0.48177677,0.147048831,4.133095426,4.078075931,8.660674811,0.468074544,1.175366339,2.255534132,1.063040306,0.081487529,0.663380301,0.312653215,0.389001207,0.306563761,0.061731588,3.400061967,2.668146124,6.263592668,0.495070452,0.757296555,2.779275875,1.414452237,0.137751085,0.641645902,0.326551779,0.594140498,0.535294099,0.176406756,4.331479197,4.508843579,9.381843366,0.462468852,1.305841353,2.665455204,1.339317991,0.124944804,0.64543274,0.324312215,0.545526013,0.481763753,0.145131457,4.129718,4.070267713,8.646025184,0.46814911,1.172421223 +UMLMON0013,L,"2-methyl-1,3-butadiene",CC(=C)C=C,6557,Sandia Ron averaged between valuese 99.1 and 99 from independent api report and co-optima database (sourced from there own api) I thinkk we should go with UML source ,"Sandia, UML",[1],C5H8,PubChem,,81,0,0.1242,0.01542564,21.5446,14.50993,0,0,15,5,10,0,4,0,1,0,0,0,0,0,0,0,843.185125,750.047136,809.60784,616.436106,143.329536,6.096384,0,0,0,2221.295828,2687.923385,3331.733076,2948.832557,1405.397394,186.5024666,0,0,0,110.69842,106.185288,184.0386,217.72332,218.86848,40.310784,0,0,0,16.24493305,20.26270678,27.25039803,26.5898303,15.21718044,2.667677429,0,0,0,2541.80523,2097.013603,4035.989087,4944.130765,5485.5391,1109.505912,0,0,0,58.02777778,38.66666667,54.66666667,70.33333333,62,6,0,0,0,56.21234167,53.57479543,32.3843136,20.5478702,4.7776512,1.016064,0,0,0,148.0863886,191.9945275,133.269323,98.29441858,46.8465798,31.08374443,0,0,0,7.379894667,7.584663429,7.361544,7.257444,7.295616,6.718464,0,0,0,1.082995537,1.447336198,1.090015921,0.886327677,0.507239348,0.444612905,0,0,0,169.453682,149.7866859,161.4395635,164.8043588,182.8513033,184.917652,0,0,0,3.868518519,2.761904762,2.186666667,2.344444444,2.066666667,1,0,0,0,0.22100372,-0.103390016,-0.029376669,0.046322052,-0.053439556,0.029382329,0,0,0,476.9038497,-65.66428988,-84.27436056,-205.1629921,23.8136108,92.83610691,0,0,0,665.1575892,-80.97945498,-96.82109803,-528.8738973,246.5759258,127.5197299,0,0,0,1.034995733,-0.103350151,-0.136179289,0.018791467,-0.3718448,0.075084907,0,0,0,2.896898448,-0.288018268,-0.316483651,-2.817756022,1.514976868,0.45883185,0,0,0,16.06108614,-1.477481838,-1.571214465,-16.08214682,8.777520432,2.322779618,0,0,0,23.27037037,-3.989382716,-3.093209877,2.340740741,-8.52962963,1.636296296,0,0,0,0.014733581,-0.007385001,-0.001175067,0.001544068,-0.001781319,0.004897055,0,0,0,31.79358998,-4.69030642,-3.370974422,-6.838766404,0.793787027,15.47268448,0,0,0,44.34383928,-5.784246784,-3.872843921,-17.62912991,8.219197526,21.25328832,0,0,0,0.068999716,-0.007382154,-0.005447172,6.26E-04,-0.012394827,0.012514151,0,0,0,0.193126563,-0.020572733,-0.012659346,-0.093925201,0.050499229,0.076471975,0,0,0,1.070739076,-0.105534417,-0.062848579,-0.536071561,0.292584014,0.387129936,0,0,0,1.551358025,-0.284955908,-0.123728395,0.078024691,-0.284320988,0.272716049,0,0,0,-0.501235986,-0.07975432,0.104799259,-0.120901937,0.332373695,0,0,0,-0.147523649,-0.106026857,-0.215098905,0.024966889,0.486660503,0,0,0,-0.130440821,-0.087336685,-0.397555336,0.185351509,0.479283902,0,0,0,-0.106988175,-0.078944841,0.009078041,-0.17963591,0.181365257,0,0,0,-0.106524618,-0.065549481,-0.486340145,0.261482564,0.395968186,0,0,0,-0.098562217,-0.058696446,-0.500655643,0.27325426,0.361553944,0,0,0,-0.18368159,-0.079754894,0.050294445,-0.183272322,0.175791819,0,0,0,1.389539695,0.809893925,0.644079106,1.312486532,1.100354501,0,0,0,1.394650417,1.126188845,1.132487094,0.77818534,0,0,0,0,1.611680217,1.221972382,1.395988706,0.333583541,0,0,0,0,1.046261318,0.910272661,0.716898543,1.536285625,0,0,0,0,1.696559902,1.243668601,1.50092009,0.170961455,0,0,0,0,1.704790797,1.24061085,1.511709908,0.158878678,0,0,0,0,1.134012414,0.910456788,0.687967531,1.524112685,0,0,0,0,13.92632712,7.08816356,10.60253706,14.07632712,2.815265424,7.090016249,0.25,0.005675938,0.001135188,-2.585759682,12.4729714,2.494594281,1.261782008,13.92923326,7.089249421,10.60453917,14.07879261,2.815758522,7.091099704,0.249265579,0.005841989,0.001168398,-2.571341975,12.47180918,2.494361837,1.261735416,16.51231851,8.056662016,12.611359,16.27292182,3.254584365,8.05729089,-0.398994478,0.13621784,0.027243568,-0.996749957,13.46107532,2.692215064,1.299901106,13.93228334,7.090389069,10.60664112,14.08138022,2.816276043,7.092236831,0.2484948,0.00601625,0.00120325,-2.556645581,12.47059513,2.494119026,1.261686742,19.26143465,9.089570194,15.08429315,18.61205809,3.722411619,9.089785787,-1.082294264,0.221349064,0.044269813,-0.754007174,26.01558515,5.203117031,1.629347894,14.23078816,7.201961175,10.81568961,14.33466868,2.866933735,7.203580376,0.173134186,0.0229788,0.00459576,-1.886591621,12.37984116,2.475968232,1.258034718,15.19901962,7.892912587,12.08714947,15.55110295,3.11022059,7.893825397,0.586805556,0.040294328,0.008058866,-1.605772287,11.27938123,2.255876246,1.211488195,0,11.99646149,15.99794197,-0.421345168,0.071853976,3.945673112,6.6197529,4,14,14,14,4,0,0,0,0,0,10.93207,3.416114232,2.617427588,2.333552793,1.502468948,0.96052669,0.083923071,0.083923071,0.083923071,1.827242846,1.249629723,1.197541044,0.454601709,0.349430602,0.083923071,0.083923071,0.083923071,3.417579556,2.520270316,2.405454588,1.382376701,1.053421808,0.270913902,0.270913902,0.270913902,1.777948972,1.172434023,1.134540686,0.415704701,0.209105972,0.270913902,0.270913902,0.270913902,3.569695903,2.858395339,2.704236987,1.9222596,1.573511089,0.943918427,0.943918427,0.943918427,1.572262975,0.783975778,0.76031856,0.172700941,0.366012371,0.943918427,0.943918427,0.943918427,3.432896708,2.521723674,2.457539916,1.386771089,1.121433591,0.399277246,0.399277246,0.399277246,1.747694586,1.155924666,1.058262671,0.376962464,0.104894844,0.399277246,0.399277246,0.399277246,3.626109758,2.930147916,2.838982085,2.048659295,1.7777981,1.207644823,1.207644823,1.207644823,1.516484896,0.700455145,0.631337262,0.311077822,0.563112515,1.207644823,1.207644823,1.207644823,4.214646979,3.323047619,2.634654398,2.102082053,1.282295295,0.585365854,0.585365854,0.585365854,1.671967161,0.878556837,0.841259084,0.016573927,0.290655055,0.585365854,0.585365854,0.585365854,0,0,0,0,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0.182574186,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.731670646,1.879176595,1.576421036,0.365148372,0,0,0,0,0.746334129,0.469794149,0.394105259,0.182574186,0,0,0,0,7.423938123,14.76984705,13.97647059,14.2,8.473011976,116.5531018,0.494929208,0.98465647,0.931764706,0.946666667,0.564867465,7.770206786,0.6347,21.9238,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.713888889,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0.713888889,0,0,0,0,0,0,0,0,0,0,0,0,0,1.286111111,0,0,0,0,0,0,0,0,0,0,0,3.944444444,0,0.305555556,0,0,0,0.439814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.713888889,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0.713888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.972222222,0,0.305555556,0,0,0,0.439814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.713888889,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0.713888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.972222222,0,0.305555556,0,0,0,0.439814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.83333333,2.566666667,0.713888889,8.143518519,0.2625,0.305555556,2.038199074,1.194444444,2.143518519,4.287037037,1.194444444,2.143518519,4.287037037,2.33333,0.46667,0,0.03333,0.48444,0.85333,0.41765,0.48444,0.76111,0.0668,0,-0.0668,0.09222,0.54687,0.16742,0,0.57143,0.21429,0,2.25,0.45,2.25,0.45,0,0,-2.25,-0.45,0,0,3.71082,0.74216,4.43249,0.72167,0.14433,1.94148,0.3883,2.27005,0.32857,0.06571,0.14395,0.02879,0.14395,0.02879,0,4.01,1,1,1,1,1,1,1,1.158938532,1.871602261,2.606238929,2.606238929,2.085320183,0.789230611,17.38407799,28.07403392,39.09358393,39.09358393,31.27980274,11.83845916,0.296639618,0.479051618,0.667087768,0.667087768,0.533754435,0.202009908,2.747952063,2.035288334,1.300651667,1.300651667,1.821570413,3.117659985,0.304394667,0.491575464,0.684527443,0.684527443,0.547708376,0.207291053,10.66110191,15.77621224,16.51659746,16.51659746,10.26557251,0.795406366,18.1875248,14.100286,14.32892941,14.32892941,11.20341694,3.433086801,5,2.25,4,5,0,3,1.79,0.7309,0.5,1,2,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,2.392,4,2,0,0,0,0,0,0,0,15,1.609437912,1.609437912,1.098612289,0,0,0,0,0,0,0,2.772588722,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,4,1,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,20.23,86.5306239,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,74.07316494,4.938210996,8.696801932,1.739360386,2.329115249,2.329115249,0,18,2,0.579,16,1.209285714,2.096561651,2.851352431,3.344286374,3.468316485,0,0,0,0,0,76.07321488,76.80543541,64.02003241,16.71516709,3.524031521,0,0,0,0,0,256.146358,302.2976243,289.843852,158.2971691,107.8082632,0,0,0,0,0,9.195663069,15.50505884,20.77460662,24.56294982,23.30175944,0,0,0,0,0,1.87702597,2.418954685,2.571443123,1.689597865,1.542058267,0,0,0,0,0,178.755922,334.709255,468.0768022,612.1121639,641.3529409,0,0,0,0,0,3.401261905,4.757655256,6.980042179,7.204908131,3.468316485,0,0,0,0,0,0.417144579,0.545917879,0.609531284,0.445465187,0.355155608,0,0,0,0,0,306.9418817,165.8276765,12.0155002,136.7047763,-73.85579084,-19.05180645,170.2371054,239.6834673,31.06730664,0.691861138,0.37378322,0.027083491,0.308138862,-0.166474354,-0.042943649,136.17374,73.56889447,5.330636506,60.64861711,-32.76587478,-8.452270257,0.38821531,0.731956727,5.298868697,26.28591895,394.0855058,49.56115211,0.888286881,0.111713119,283.9246063,16.8500625,6.572556742,389.1388631,19.72660293,7.300762184,426.4238458,20.65003259,7.526859815,1.200879612,1.130580617,179.7098287,135.8239085,65.28876922,1.323108948,2.752538161,2.080356394,3.14789717,2.359935319,4.338528573,0.83840995,3.224442391,3.228337687,3.497879681,9.887623472,1.883384873,3.056374894,1.563542795,0.159719705,1.99E-19,5.17E-59,2.60E-120,2.51E-203,4.69E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290510157,3.355246454,0.30032813,3.453836287,0.068989824,0.115949819,0.01648176,0.016570317,2.22E-20,5.78E-60,2.90E-121,2.81E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.81835312,3.119019887,0.72417378,4.105063624,0.177692025,0.41970631,0.120990106,0.029454953,3.85E-20,1.00E-59,5.03E-121,4.87E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.266568655,3.354876731,3.780347879,9.642362681,1.702170816,2.780255982,1.411428362,0.196137426,2.50E-19,6.50E-59,3.26E-120,3.16E-203,5.89E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.139201109,3.029259643,0.941304826,4.673280019,0.330006215,0.716651796,0.25109004,0.030229649,3.81E-20,9.92E-60,4.98E-121,4.82E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.074611356,3.30855682,4.758304456,12.46711971,2.719218591,4.219097229,2.280176567,0.233246253,2.91E-19,7.56E-59,3.79E-120,3.67E-203,6.85E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.029534004,3.5637013,4.192285817,8.245402508,0.823038935,1.431948665,0.622124614,0.307362039,4.09E-19,1.06E-58,5.34E-120,5.17E-203,9.64E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.717650828,1.330743151,0.532917763,0.479614999,0.371579814,0.489665089,0.470013718,0.403402704,3.581311742,3.910295374,8.709724998,0.27679222,1.363081512,1.814206572,0.739375104,0.144880377,0.672311315,0.273998704,0.598891541,0.151810169,0.029692784,2.698462052,1.711343048,4.60414462,0.508466973,0.780394495,1.53548206,1.044634718,0.314866623,0.530394081,0.360843077,0.408940468,0.297255016,0.143009104,2.894983401,2.416410525,5.816445616,0.336855737,0.849204588,1.779086881,1.296677832,0.511992006,0.495877235,0.361417435,0.530991562,0.450440279,0.37051687,3.587756719,3.881669465,8.650541831,0.285942005,1.351948712,1.482617035,1.163829847,0.392956045,0.487798778,0.382913972,0.367461028,0.361230219,0.224140046,3.039402927,2.765451257,6.482905324,0.306069125,0.952831293,1.762423391,1.357443506,0.555637128,0.479505227,0.36932173,0.515392247,0.48907746,0.436773037,3.675504024,4.125904068,9.130708903,0.273240436,1.441242744,1.778451708,1.300962438,0.51303564,0.495052628,0.36213796,0.529739673,0.452957425,0.371928684,3.592449786,3.893548076,8.673007842,0.285785883,1.354625782 +UMLMON0014,L,2-methylpropan-1-ol,CC(C)CO,6560,"""2-methyl-1-propanol""; [5] had 106.5 / 120.7 for RON / BRON","Sandia, UML","[5], [6]",C4H10O,PubChem,,90,0,-0.6961,0.48455521,20.6715,14.50993,0,0,15,5,10,0,4,0,1,0,0,0,0,0,0,0,843.185125,750.047136,853.487804,562.433806,147.355488,12.192768,0,0,0,2221.295828,2687.923385,3243.668662,2771.42227,1484.369629,373.0049332,0,0,0,110.69842,106.185288,184.178432,223.84576,172.295424,80.621568,0,0,0,16.24493305,20.26270678,26.37961435,24.3864222,15.6236948,5.335354858,0,0,0,2541.80523,2097.013603,4030.47633,5109.418917,4216.257792,2219.011824,0,0,0,58.02777778,38,59.66666667,76,46,12,0,0,0,56.21234167,53.57479543,34.13951216,18.74779353,6.139812,1.016064,0,0,0,148.0863886,191.9945275,129.7467465,92.38074234,61.84873452,31.08374443,0,0,0,7.379894667,7.584663429,7.36713728,7.461525333,7.178976,6.718464,0,0,0,1.082995537,1.447336198,1.055184574,0.81288074,0.650987283,0.444612905,0,0,0,169.453682,149.7866859,161.2190532,170.3139639,175.677408,184.917652,0,0,0,3.868518519,2.714285714,2.386666667,2.533333333,1.916666667,1,0,0,0,0.216197349,-0.110450613,0.014042513,-0.020379061,-0.011179857,0.019868345,0,0,0,476.9038497,-65.66428988,-40.39439656,-209.5424144,-108.5230378,185.6722138,0,0,0,665.1575892,-80.97945498,-184.885512,-221.2917839,-100.4615036,255.0394598,0,0,0,1.034995733,-0.103350151,0.003652711,-0.3913104,-0.17665984,0.150169813,0,0,0,2.896898448,-0.288018268,-1.187267327,-0.672028437,-0.218798891,0.917663699,0,0,0,16.06108614,-1.477481838,-7.083971123,-3.258856276,-0.85579307,4.645559237,0,0,0,23.27037037,-4.656049383,1.399382716,-6.707407407,-4.943703704,3.272592593,0,0,0,0.014413157,-0.00788933,5.62E-04,-6.79E-04,-4.66E-04,0.001655695,0,0,0,31.79358998,-4.69030642,-1.615775862,-6.984747147,-4.521793243,15.47268448,0,0,0,44.34383928,-5.784246784,-7.395420478,-7.376392796,-4.185895982,21.25328832,0,0,0,0.068999716,-0.007382154,1.46E-04,-0.01304368,-0.007360827,0.012514151,0,0,0,0.193126563,-0.020572733,-0.047490693,-0.022400948,-0.00911662,0.076471975,0,0,0,1.070739076,-0.105534417,-0.283358845,-0.108628543,-0.035658045,0.387129936,0,0,0,1.551358025,-0.332574956,0.055975309,-0.223580247,-0.205987654,0.272716049,0,0,0,-0.54737,0.038971374,-0.047130692,-0.032319596,0.114873891,0,0,0,-0.147523649,-0.050820806,-0.21969042,-0.142223424,0.486660503,0,0,0,-0.130440821,-0.166774474,-0.16634538,-0.094396337,0.479283902,0,0,0,-0.106988175,0.002117522,-0.18903962,-0.106679087,0.181365257,0,0,0,-0.106524618,-0.245904511,-0.115991024,-0.04720542,0.395968186,0,0,0,-0.098562217,-0.264638558,-0.101451927,-0.033302273,0.361553944,0,0,0,-0.214376663,0.03608149,-0.144119051,-0.132778927,0.175791819,0,0,0,1.43035073,0.70655142,1.266688712,1.079658356,0.283236866,0,0,0,1.394650417,1.074663198,1.209116159,0.930617893,0,0,0,0,1.611680217,1.296114319,1.027155369,0.800789914,0,0,0,0,1.046261318,0.834614455,1.516010114,1.000278198,0,0,0,0,1.696559902,1.411999962,0.9597445,0.714826138,0,0,0,0,1.704790797,1.432823488,0.954436546,0.694968552,0,0,0,0,1.162661149,0.801496101,1.467292695,1.027773357,0,0,0,0,13.95727422,7.103637112,10.86839614,14.10727422,2.821454845,7.105467187,0.25,0.088634171,0.017726834,-1.211618907,12.02410053,2.404820107,1.243456507,13.96008042,7.104673002,10.86965688,14.10963977,2.821927954,7.106500759,0.249265579,0.088565092,0.017713018,-1.212008747,12.0245071,2.404901419,1.243473413,16.47296295,8.036984237,12.20123322,16.23356627,3.246713253,8.037626883,-0.398994478,0.007800936,0.001560187,-2.426755769,15.48900389,3.097800777,1.370065173,13.96302567,7.105760236,10.87098041,14.11212255,2.82242451,7.107585566,0.2484948,0.088492526,0.017698505,-1.212418591,12.02493652,2.404987304,1.243491268,19.17311377,9.045409753,14.34158528,18.52373721,3.704747442,9.045637456,-1.082294264,0.141240331,0.028248066,-0.978646182,39.82646776,7.965293552,1.842265855,14.25158417,7.212359177,11.00239717,14.35546468,2.871092936,7.213964287,0.173134186,0.081047336,0.016209467,-1.25636095,12.08200119,2.416400237,1.24585842,15.0401872,7.813496377,12.45650458,15.39227053,3.078454106,7.814499466,0.586805556,0.120383667,0.024076733,-1.058535705,10.50811491,2.101622982,1.176073904,0,11.99646149,15.99794197,-0.418509322,0.077316056,4.261214377,6.232414071,4,14,14,14,4,0,0,0,0,0,10.93207,3.406798357,2.722975579,2.128007932,1.671412949,0.90425604,0.083923071,0.083923071,0.083923071,1.806936722,1.43187136,0.926196404,0.625057667,0.291744378,0.083923071,0.083923071,0.083923071,3.392535403,2.751266105,2.041205534,1.631836288,0.970331034,0.270913902,0.270913902,0.270913902,1.764034962,1.342889421,0.856704028,0.594678824,0.159498515,0.270913902,0.270913902,0.270913902,3.557555677,2.998025645,2.453877466,2.108977355,1.518705925,0.943918427,0.943918427,0.943918427,1.547889465,1.025235221,0.404631057,0.047733341,0.438601933,0.943918427,0.943918427,0.943918427,3.404000376,2.785438649,2.065986553,1.639664584,1.034664133,0.399277246,0.399277246,0.399277246,1.738102188,1.285876764,0.824940138,0.543957244,0.060252212,0.399277246,0.399277246,0.399277246,3.610874584,3.099703924,2.554771637,2.244894115,1.720995423,1.207644823,1.207644823,1.207644823,1.493369699,0.925753364,0.282706625,0.080863695,0.637336497,1.207644823,1.207644823,1.207644823,4.223225424,3.200918032,2.835524336,2.02022972,1.27661878,0.585365854,0.585365854,0.585365854,1.638663751,1.111960346,0.556513662,0.114915916,0.304561772,0.585365854,0.585365854,0.585365854,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.182574186,0,0,0,0.40824829,0,0,0.182574186,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.731670646,1.950904231,1.257269657,0.590822476,0,0,0,0,0.746334129,0.487726058,0.314317414,0.295411238,0,0,0,0,7.423938123,14.76984705,13.97647059,14.2,8.473011976,116.5531018,0.494929208,0.98465647,0.931764706,0.946666667,0.564867465,7.770206786,0.7772,21.9718,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.665277778,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0.665277778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.334722222,0,0,0,0,0,0,0,0,0,0,0,3.726851852,0,0.861111111,0,0,0,-0.115740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.665277778,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0.665277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.777777778,0,0.861111111,0,0,0,-0.115740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.665277778,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0.665277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.949074074,0,0.861111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.83333333,2.566666667,0.665277778,8.361111111,0.2625,-0.115740741,1.975865741,1.449074074,2.361111111,4.722222222,1.449074074,2.361111111,4.722222222,2.33333,0.46667,0,0.03333,0.48444,0.85333,0.41765,0.48444,0.76111,0.0668,0,-0.0668,0.09222,0.54687,0.16742,0,0.57143,0.21429,0,2.25,0.45,2.25,0.45,0,0,-2.25,-0.45,0,0,3.72133,0.74427,4.43249,0.71116,0.14223,1.97593,0.39519,2.27005,0.29412,0.05882,0.14395,0.02879,0.14395,0.02879,0,4.01,1,1,1,1,1,1,1,1.158938532,1.871602261,2.739572262,3.139572262,2.618653516,1.189230611,17.38407799,28.07403392,41.09358393,47.09358393,39.27980274,17.83845916,0.296639618,0.479051618,0.701215505,0.803598715,0.670265382,0.304393118,2.747952063,2.035288334,1.167318334,0.767318334,1.28823708,2.717659985,0.304394667,0.491575464,0.719547381,0.824607195,0.687788128,0.312350867,10.66110191,15.77621224,18.11659746,18.51972748,12.26870252,1.198536379,18.1875248,14.100286,12.80341694,12.41710322,9.291590746,3.046773087,5,2.25,4,5,0,4,1.79,0.7309,0.333333333,1.414213562,1.414213562,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,2.392,4,2,0,0,0,0,0,0,0,15,1.609437912,1.609437912,1.098612289,0,0,0,0,0,0,0,2.772588722,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,4,1,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,20.23,86.5306239,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,74.07316494,4.938210996,8.696801932,1.739360386,2.31305253,2.31305253,0,18,2,0.742,16,1.209285714,2.097101499,2.82652275,3.401164822,4.232203289,0,0,0,0,0,76.07321488,80.86255987,58.266298,22.49122298,4.300189402,0,0,0,0,0,256.146358,292.5833566,275.6434627,224.1790861,131.5527254,0,0,0,0,0,9.195663069,15.56027504,21.16892491,24.41564145,28.43390544,0,0,0,0,0,1.87702597,2.32167468,2.380552895,2.333127416,1.881692198,0,0,0,0,0,178.755922,334.8392997,479.3305014,591.7291572,782.6090951,0,0,0,0,0,3.337380952,5.298146944,7.354136318,6.566558523,4.232203289,0,0,0,0,0,0.417144579,0.540168048,0.577137006,0.550550239,0.433377617,0,0,0,0,0,301.7784451,158.3469278,12.59980758,160.2987343,-84.11075251,-18.70397793,141.4797107,242.4576803,31.30378551,0.653090995,0.342685021,0.027267756,0.346909005,-0.182027497,-0.040478039,139.4449327,73.16850175,5.822083545,74.07038701,-38.86565927,-8.642681366,0.400419514,0.748528913,8.424052934,24.34430363,408.516248,53.56093134,0.884086612,0.115913388,283.9246063,16.8500625,6.572556742,389.1388631,19.72660293,7.300762184,430.7077729,20.75350026,7.551981252,1.513523352,1.361667188,180.7975766,139.8094598,62.05453681,1.29317127,2.91352713,2.253009481,3.139592126,3.220194404,5.261228039,0.633823111,3.224442391,3.228329692,2.592676891,8.023664815,4.911344299,2.248925578,1.472387121,6.656961858,1.281184098,0.006683872,3.96E-24,4.53E-67,9.99E-132,4.25E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290510157,3.355246397,0.203860181,3.160629,0.316016118,0.027887081,0.166677106,0.321129024,0.009023484,4.71E-05,2.79E-26,3.19E-69,7.04E-134,2.99E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.81835312,3.119019301,0.575860519,3.322457465,0.68716383,0.179060677,0.397212188,1.193167919,0.094031664,4.91E-04,2.91E-25,3.32E-68,7.33E-133,3.12E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.266568655,3.354869608,2.61743121,8.137299549,4.62818452,2.045346434,1.410589552,6.120066074,1.141511966,0.00595521,3.53E-24,4.04E-67,8.90E-132,3.79E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.139201109,3.029258368,0.811829706,3.606855395,1.078676245,0.362599447,0.558326504,1.916870058,0.20424934,0.001065558,6.32E-25,7.22E-68,1.59E-132,6.77E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.074611356,3.308545161,3.386567541,10.19148845,6.878376059,3.27967939,1.837891453,8.814047031,1.8684866,0.0097478,5.78E-24,6.61E-67,1.46E-131,6.20E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.029533971,3.540884206,2.192905703,8.410368849,3.16451183,0.965650126,1.105155947,3.503329126,0.439001809,0.00229025,1.36E-24,1.55E-67,3.42E-132,1.46E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.613462592,0.813613763,0.534317788,0.659733038,0.205385714,0.530515717,0.398155388,0.403849047,3.961394142,3.95749699,9.055037298,0.489599557,1.332520152,1.762460539,0.749540115,0.142294487,0.664003227,0.28238763,0.250926653,0.331690678,0.029558274,2.654295141,1.678478721,4.520749842,0.49600484,0.612175604,2.216960505,0.650193071,0.313822327,0.696943508,0.204400502,0.382445156,0.262814174,0.14596762,3.180975904,2.341229169,5.974565007,0.545415262,0.79122695,2.539335226,0.851564181,0.513116462,0.65044183,0.218125184,0.500824982,0.43674094,0.372432181,3.904015869,3.902333229,8.915915687,0.475662745,1.309998103,2.408582853,0.634842033,0.392865987,0.700925196,0.184746302,0.450638735,0.251766677,0.229887696,3.436290873,2.724727756,6.76173808,0.551387794,0.932293108,2.644000594,0.847317398,0.557085551,0.653097095,0.209296674,0.543002507,0.429882211,0.435730318,4.048403544,4.185270512,9.481717108,0.479645643,1.408615036,2.553385489,0.849258958,0.514136647,0.651909164,0.21682574,0.506369371,0.434125986,0.373432631,3.916781094,3.917909706,8.949588664,0.477863746,1.313927987 +UMLMON0015,L,2-butanol,CCC(C)O,6568,,"Sandia, UML",[9],C4H10O,PubChem,,93,0,-0.1678,0.02815684,21.2183,13.176344,0,0,13,5,8,0,4,0,1,0,0,0,0,0,0,0,841.152997,721.813056,801.039548,520.016158,127.119888,9.144576,0,0,0,2159.128339,2491.173138,2817.445182,2240.709955,1120.963057,279.7536999,0,0,0,97.261492,89.596488,153.354368,162.18208,111.43008,60.466176,0,0,0,15.35570724,18.61439448,22.50421343,18.37811184,10.95324725,4.001516144,0,0,0,2171.969926,1758.706778,3385.92441,3540.545362,2583.794029,1664.258868,0,0,0,70.02777778,35.5,54.66666667,72.5,39,9,0,0,0,64.70407669,60.151088,38.14474038,24.76267419,8.4746592,1.016064,0,0,0,166.0867953,207.5977615,134.1640563,106.700474,74.73087045,31.08374443,0,0,0,7.481653231,7.466374,7.302588952,7.72295619,7.428672,6.718464,0,0,0,1.181208249,1.55119954,1.071629211,0.875148183,0.730216483,0.444612905,0,0,0,167.0746097,146.5588982,161.2344957,168.5973982,172.2529352,184.917652,0,0,0,5.386752137,2.958333333,2.603174603,3.452380952,2.6,1,0,0,0,0.116734907,-0.043719365,0.016018701,-0.016640793,-0.020549681,0.006523684,0,0,0,441.1976548,-41.78727394,69.51147299,-238.9624972,-194.75808,185.3975508,0,0,0,616.1115392,-93.79664945,-55.60441254,-213.0974229,-200.2194672,254.6621825,0,0,0,1.006116923,-6.21E-04,0.13220097,-0.503992568,-0.280593373,0.149947669,0,0,0,2.72042466,-0.468030278,-0.785752447,-0.499870012,-0.522865801,0.916306209,0,0,0,15.16770937,-2.625121323,-5.163715131,-2.13547618,-2.298229156,4.638687108,0,0,0,32.23076923,-1.225838264,4.037475345,-13.93688363,-9.464990138,4.474852071,0,0,0,0.008979608,-0.00364328,7.63E-04,-7.92E-04,-0.001369979,7.25E-04,0,0,0,33.93828114,-3.482272828,3.310070142,-11.37916654,-12.983872,20.59972786,0,0,0,47.39319532,-7.816387454,-2.647829169,-10.14749633,-13.34796448,28.29579805,0,0,0,0.077393609,-5.18E-05,0.006295284,-0.023999646,-0.018706225,0.016660852,0,0,0,0.209263435,-0.039002523,-0.037416783,-0.023803334,-0.03485772,0.101811801,0,0,0,1.166746874,-0.21876011,-0.245891197,-0.101689342,-0.153215277,0.515409679,0,0,0,2.479289941,-0.102153189,0.192260731,-0.663661125,-0.630999343,0.497205786,0,0,0,-0.405728217,0.084947504,-0.088246468,-0.152565536,0.080722209,0,0,0,-0.102606046,0.09753205,-0.335290007,-0.382573058,0.606976169,0,0,0,-0.164926366,-0.055869395,-0.214112939,-0.281643058,0.597043476,0,0,0,-6.69E-04,0.081341138,-0.31009855,-0.241702448,0.215274261,0,0,0,-0.18638002,-0.178802298,-0.113748175,-0.166573391,0.486524561,0,0,0,-0.187495776,-0.210749394,-0.087156301,-0.131318352,0.441749355,0,0,0,-0.041202599,0.077546691,-0.267681934,-0.254508088,0.200543622,0,0,0,1.062215437,0.681919935,1.593286668,1.163224051,0.002857259,0,0,0,1.115636275,0.804607552,1.365168907,1.269803936,0,0,0,0,1.489558193,1.075951506,1.044664406,1.03949117,0,0,0,0,0.504012991,0.535606025,1.889417436,1.401756762,0,0,0,0,1.618280118,1.215260987,0.934331327,0.895946666,0,0,0,0,1.624974654,1.239232173,0.928593153,0.86506482,0,0,0,0,0.548130469,0.537049665,1.853449256,1.414797136,0,0,0,0,12.77619957,6.513099786,10.22505772,12.92619957,2.585239914,6.516774527,0.25,0.1306296,0.02612592,-1.01769472,11.90914351,2.381828702,1.238653234,12.77777588,6.513520731,10.22558559,12.92733523,2.585467046,6.517193046,0.249265579,0.13061915,0.02612383,-1.017734719,11.90897455,2.38179491,1.23864614,14.1751531,6.888079312,10.73747523,13.93575642,2.787151283,6.890260255,-0.398994478,0.11840198,0.023680396,-1.066834918,12.03449998,2.406899996,1.243888762,12.77943025,6.513962525,10.22613968,12.92852713,2.585705426,6.517632296,0.2484948,0.130608178,0.026121636,-1.017776721,11.90879763,2.381759525,1.238638712,15.6579477,7.287826716,11.45798465,15.00857114,3.001714227,7.289195865,-1.082294264,0.090476734,0.018095347,-1.201331272,14.22786058,2.845572117,1.327601028,12.94127396,6.557204073,10.28080082,13.04515447,2.609030894,6.560636876,0.173134186,0.129509581,0.025901916,-1.022000209,11.89363693,2.378727385,1.238001773,13.76630139,7.005248527,11.2898956,13.9028887,2.780577739,7.007901847,0.682936508,0.169182504,0.033836501,-0.888388621,10.79525804,2.159051608,1.189553484,0,11.89,15.99491564,-0.299501627,0.190864822,3.800872342,5.916761187,4,12,11,11,3,1,1,0,0,1,9.703656,3.481460676,2.739456945,2.081809984,1.560661502,0.083923071,0.083923071,0.083923071,0.083923071,1.77759456,1.418816429,0.878342149,0.204837785,0.083923071,0.083923071,0.083923071,0.083923071,3.424539498,2.758788548,2.026000513,1.518530057,0.270913902,0.270913902,0.270913902,0.270913902,1.750226965,1.333860063,0.784330887,0.33189989,0.270913902,0.270913902,0.270913902,0.270913902,3.585319586,3.000262615,2.389565097,1.968602082,0.943918427,0.943918427,0.943918427,0.943918427,1.545897766,1.020838251,0.365028945,0.150433645,0.943918427,0.943918427,0.943918427,0.943918427,3.421895474,2.788547393,2.048278811,1.516985726,0.399277246,0.399277246,0.399277246,0.399277246,1.73687986,1.279168899,0.733906404,0.347680984,0.399277246,0.399277246,0.399277246,0.399277246,3.619308344,3.097070159,2.492306145,2.06826822,1.207644823,1.207644823,1.207644823,1.207644823,1.506092443,0.926061839,0.24808145,0.235603407,1.207644823,1.207644823,1.207644823,1.207644823,4.661176504,3.108505558,2.737414498,1.92553455,0.558139535,0.558139535,0.558139535,0.558139535,1.593937563,1.117178388,0.546550171,0.40643036,0.558139535,0.558139535,0.558139535,0.558139535,0,0,0,1,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.144337567,0,0,0,0.40824829,0,0,0.144337567,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.615355072,1.764784317,1.055568494,0.497890958,0,0,0,0,0.723071014,0.441196079,0.263892123,0.248945479,0,0,0,0,6.88211032,12.8820102,12.25098039,12.44,7.674457485,100.2675413,0.529393102,0.990923861,0.942383107,0.956923077,0.590342883,7.712887794,0.9854,20.972,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.707291667,0.802777778,0,0,0,0,0,0,0,0,0,0,3.43287037,0,0.666666667,0,0,0,0,0,0,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305902778,0.401388889,0,0,0,0,0,0,0,0,0,0,1.583333333,0,0.666666667,0,0,0,0,0,0,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,1.849537037,0,0.666666667,0,0,0,0,0,0,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.16666667,2.833333333,0.644097222,9.8125,0.305902778,0.25462963,1.768430556,1.412037037,2.8125,5.625,1.412037037,2.8125,5.625,2.33333,0.46667,0,0.03333,0.51282,0.85333,0.41765,0.51282,0.85333,0.09517,0,-0.09517,0,0.54687,0.16742,0,0.57143,0.21429,0,3.75,0.75,2.25,0.45,1.5,0.3,-0.75,-0.15,0,0,2.86751,0.5735,4.43249,1.56498,0.313,1.52767,0.30553,2.27005,0.74238,0.14848,0.14395,0.02879,0.14395,0.02879,0,4.01,1,1,1,1,0,0,0.75,1.238901257,1.854285872,2.81507241,2.81507241,2.091927838,0.514835639,16.10571634,24.10571634,36.59594133,36.59594133,27.1950619,6.692863305,0.334798389,0.501098792,0.760739973,0.760739973,0.565318718,0.139128233,2.461538462,1.846153846,0.885367308,0.885367308,1.60851188,3.185604079,0.334798389,0.501098792,0.760739973,0.760739973,0.565318718,0.139128233,11.26589917,18.65051456,19.61881928,19.61881928,10.94108442,0.518864244,18.28260559,12.5570933,12.86880152,12.86880152,11.02264767,3.089013833,5,2.25,4,5,1,4,1.79,0.6879,0.333333333,1.414213562,1.414213562,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,2.39,4,2,0,0,0,0,0,0,0,15,1.791759469,1.945910149,1.386294361,0,0,0,0,0,0,0,2.995732274,1.266666667,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,3,0.75,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,17.07,83.8941652,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,72.05751488,5.54288576,8.696801932,1.739360386,2.31305253,2.31305253,0,18,2,0.438,16,1.221083333,2.099772918,2.904872235,3.603141743,4.74351686,0,0,0,0,0,82.91991531,91.01101631,76.55742057,31.70819485,4.819716715,0,0,0,0,0,275.8751935,306.311941,326.4894081,286.2616583,147.4462658,0,0,0,0,0,9.14481753,15.46361024,22.47891371,26.52321,31.86914726,0,0,0,0,0,2.016443013,2.382180892,2.648824038,2.807975132,2.10902881,0,0,0,0,0,177.0345897,334.647534,487.0357992,611.6549473,877.1600002,0,0,0,0,0,3.679986111,5.863484892,10.10492466,8.874376746,4.74351686,0,0,0,0,0,0.439259375,0.551531963,0.656330969,0.666619237,0.485736127,0,0,0,0,0,331.5235352,120.5879334,8.305458331,122.7092591,-44.63410408,-18.67389915,208.814276,165.2220375,26.97935748,0.729853809,0.265476062,0.018284585,0.270146191,-0.098262619,-0.041110856,150.5888618,54.77499397,3.772611546,55.73856967,-20.27427382,-8.482297392,0.355480766,0.823365415,2.280595705,41.24593298,404.1384714,50.09432293,0.889716631,0.110283369,320.13246,17.89224581,6.840847421,397.6287486,19.9406306,7.353474524,470.7611015,21.69702978,7.779174677,1.43651594,1.283100829,177.1355082,134.5796116,52.62682671,1.316213549,3.365878569,2.557243519,3.066871681,3.18658557,5.271540682,0.654291268,2.244419464,2.932703488,2.207360848,4.226063592,2.385408512,1.056015733,1.193109647,4.906929998,1.465077131,0.010821517,1.80E-23,5.77E-66,3.57E-130,4.26E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.204852337,2.932605608,0.181229695,2.21010592,0.10907198,0.110377275,0.210262273,0.316762492,0.010318658,7.62E-05,1.27E-25,4.06E-68,2.51E-132,3.00E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.613910393,2.932494545,0.461673028,2.145306197,0.304568405,0.197894696,0.408314574,1.085173912,0.107528372,7.94E-04,1.32E-24,4.23E-67,2.62E-131,3.12E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.12365973,2.932751156,2.328760228,4.219365685,2.400525241,1.295298803,1.132032032,4.566299496,1.305357347,0.009641777,1.60E-23,5.14E-66,3.18E-130,3.79E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.897215541,2.932462367,0.61954906,2.251840068,0.45538232,0.204490751,0.545033703,1.662707166,0.233565993,0.001725191,2.87E-24,9.20E-67,5.69E-131,6.79E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.710484556,2.932820006,2.969799732,5.153673586,3.426321908,1.537066458,1.420283987,6.235829705,2.136677305,0.015782165,2.62E-23,8.41E-66,5.20E-130,6.21E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.351274107,2.689716864,2.472765171,4.372262362,2.154264068,2.141250433,0.813375032,2.67209786,0.456400447,0.003371116,5.60E-24,1.80E-66,1.11E-130,1.33E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.027551607,0.722277129,0.384336023,0.732324855,0.174709324,0.604534484,0.417786721,0.4615227,4.134164759,3.627925547,8.602529912,0.598487282,1.483843905,1.815366938,0.78205338,0.069845358,0.680609717,0.293204155,0.224879182,0.424963504,0.015242141,2.667265676,1.601131602,4.3675577,0.520914576,0.665084828,2.406592006,0.610115198,0.196681769,0.748926453,0.189866587,0.382640339,0.290662255,0.120864593,3.213388973,2.061629668,5.56380616,0.62338968,0.794167186,2.921986843,0.774761263,0.366104671,0.719195847,0.190693905,0.563154987,0.478054161,0.418775651,4.062852777,3.617238968,8.508894956,0.57879377,1.459984799,2.676125482,0.563137637,0.259944912,0.764780333,0.160932883,0.472423041,0.251879722,0.211122016,3.499208031,2.349056945,6.240008971,0.647170499,0.935424779,3.084448587,0.754783018,0.405757721,0.726609268,0.177805634,0.627475109,0.456679776,0.514404156,4.244989327,3.885887282,9.075516864,0.589913902,1.598559041,2.9230684,0.779276526,0.365313768,0.718612013,0.191578641,0.563573536,0.483600161,0.416968227,4.067658693,3.630396161,8.530195264,0.577918019,1.464141924 +UMLMON0016,L,2-Butanone,CCC(=O)C,6569,Not using Co-optima vals,"Sandia, UML",[9],C4H8O,PubChem,,105.5,0,1.1458,1.31285764,28.5356,19.895102,0,0,20,6,14,0,6,0,0,0,0,0,0,0,0,0,879.809622,890.819837,1095.705078,929.26378,321.052032,36.578304,0,0,0,2976.273833,3723.897138,4979.365438,5310.781543,3686.191126,1119.0148,0,0,0,139.301592,137.349428,253.98204,316.795792,372.377088,241.864704,0,0,0,22.95798067,29.53412034,42.11255244,48.11480844,40.06345059,16.00606457,0,0,0,3349.613265,2777.687448,5735.98382,7198.538237,9222.470706,6657.035473,0,0,0,33.55555556,39.11111111,57.33333333,77,78,36,0,0,0,43.9904811,46.88525458,30.43625217,20.65030622,5.945408,1.016064,0,0,0,148.8136916,195.9945862,138.3157066,118.0173676,68.26279863,31.08374443,0,0,0,6.9650796,7.228917263,7.055056667,7.039906489,6.895872,6.718464,0,0,0,1.147899033,1.554427386,1.169793123,1.069217965,0.741915752,0.444612905,0,0,0,167.4806632,146.1940762,159.3328839,159.9675164,170.7864946,184.917652,0,0,0,1.677777778,2.058479532,1.592592593,1.711111111,1.444444444,1,0,0,0,0.027594054,-0.007043022,0.002962385,-0.012271457,-0.016759411,0.019314479,0,0,0,508.4772378,-59.32234441,29.05584216,-332.9315247,-283.2944611,392.2538692,0,0,0,945.5351364,-110.3124326,54.03057923,-619.100387,-526.7981474,729.4128195,0,0,0,0.0996072,-0.01162084,0.00569184,-0.065219,-0.05549544,0.07683984,0,0,0,4.226981996,-0.4931479,0.241541828,-2.767666783,-2.355032827,3.260814683,0,0,0,22.96103329,-2.678787217,1.312059045,-15.03400989,-12.79257569,17.71279711,0,0,0,3.133333333,-1.876666667,1.093333333,-0.083333333,-2.66,1.96,0,0,0,0.001379703,-3.71E-04,8.23E-05,-2.73E-04,-3.10E-04,5.37E-04,0,0,0,25.42386189,-3.122228653,0.807106727,-7.398478328,-5.246193723,10.89594081,0,0,0,47.27675682,-5.805917504,1.500849423,-13.75778638,-9.755521249,20.26146721,0,0,0,0.00498036,-6.12E-04,1.58E-04,-0.001449311,-0.001027693,0.00213444,0,0,0,0.2113491,-0.025955153,0.006709495,-0.061503706,-0.043611719,0.090578186,0,0,0,1.148051665,-0.140988801,0.036446085,-0.334089109,-0.23689955,0.492022142,0,0,0,0.156666667,-0.09877193,0.03037037,-0.001851852,-0.049259259,0.054444444,0,0,0,-0.268670478,0.059642171,-0.197650581,-0.224946633,0.388861534,0,0,0,-0.122807018,0.031746032,-0.291005291,-0.206349206,0.428571429,0,0,0,-0.122807018,0.031746032,-0.291005291,-0.206349206,0.428571429,0,0,0,-0.122807018,0.031746032,-0.291005291,-0.206349206,0.428571429,0,0,0,-0.122807018,0.031746032,-0.291005291,-0.206349206,0.428571429,0,0,0,-0.122807018,0.031746032,-0.291005291,-0.206349206,0.428571429,0,0,0,-0.630459127,0.193853428,-0.011820331,-0.314420804,0.34751773,0,0,0,1.809873071,0.956540033,1.346942481,1.121565904,0,0,0,0,1.666666667,1.130952381,1.407407407,1.005291005,0,0,0,0,1.666666667,1.130952381,1.407407407,1.005291005,0,0,0,0,1.666666667,1.130952381,1.407407407,1.005291005,0,0,0,0,1.666666667,1.130952381,1.407407407,1.005291005,0,0,0,0,1.666666667,1.130952381,1.407407407,1.005291005,0,0,0,0,2.234042553,0.617612293,1.1678487,1.34751773,0,0,0,0,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,27.43671497,13.60724638,20.69276325,27.28856682,4.548094471,13.6072487,-0.222222222,0,0,0,13.73763424,2.289605707,1.572083455,0,11.89,12.11007471,-0.163517376,0.057321995,5.749051625,7.648565496,5,19,19,19,5,0,0,0,0,0,15.304898,3.512766786,2.871866666,2.333552793,2.333552793,1.491291468,0.839455485,0.083923071,0.083923071,1.914834965,1.536478099,1.249629723,1.249629723,0.628641045,0.299734013,0.083923071,0.083923071,3.539373167,2.91948901,2.405454588,2.405454588,1.584452965,0.969374948,0.270913902,0.270913902,1.85520549,1.445894467,1.134540686,1.134540686,0.491830665,0.136103862,0.270913902,0.270913902,3.657377608,3.125257702,2.704236987,2.704236987,1.965177229,1.478968236,0.943918427,0.943918427,1.681111762,1.165396028,0.76031856,0.76031856,0.035277323,0.430678044,0.943918427,0.943918427,3.559031887,2.954421258,2.457539916,2.457539916,1.651626284,1.061748034,0.399277246,0.399277246,1.817335127,1.386951568,1.058262671,1.058262671,0.400279674,0.025152113,0.399277246,0.399277246,3.715368235,3.222531966,2.838982085,2.838982085,2.13284465,1.693474229,1.207644823,1.207644823,1.627333109,1.073816082,0.631337262,0.631337262,0.12661656,0.640892843,1.207644823,1.207644823,3.526659613,3.033678287,2.598486893,2.598486893,1.687769814,1.13070709,0.5625,0.5625,1.836166495,1.291912864,0.910986893,0.910986893,0.328218881,0.077483438,0.5625,0.5625,0,0,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0.666666667,0,0.333333333,0,0.666666667,0,0.333333333,0,1.333333333,0,0,1.333333333,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,9.792794627,19.21485798,18.07843137,18.32,11.58988144,154.455091,0.489639731,0.960742899,0.903921569,0.916,0.579494072,7.722754551,2.2984,29.676,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,8.962962963,0,0,0,0,0,1.703703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.240740741,0,0,0,0,0,0.851851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.240740741,0,0,0,0,0,0.851851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.66666667,1.777777778,0.2,2.240740741,0.2,0.851851852,4.596074074,0.481481481,0.240740741,1.925925926,0.481481481,0.240740741,1.925925926,3,0.5,0,0,0.42,0.7,0.42,0.42,0.7,0,0,0,0,0.71429,0,0,0.66667,0.33333,0,2.5,0.41667,2.5,0.41667,0,0,-2.5,-0.41667,0,0,6.13075,1.02179,6.13075,0,0,2.64272,0.44045,2.64272,0,0,0.27128,0.04521,0.27128,0.04521,0,5,0,0,0,0,0,0,1,0.881290899,1.156779649,1.570950594,1.570950594,1.238757785,0.442179356,17.62581798,23.13559299,31.41901189,31.41901189,24.7751557,8.84358713,0.203911514,0.267653608,0.363483742,0.363483742,0.286621563,0.102310669,3.440637196,3.165148445,2.7509775,2.7509775,3.08317031,3.879748738,0.207463733,0.27231624,0.369815772,0.369815772,0.291614624,0.104092962,6.616095946,9.921960949,10.33937279,10.33937279,6.353059081,0.445639424,23.80204551,20.17438566,21.10210647,21.10210647,17.11579275,5.306152278,6,2.222222222,3,6,0,4,2.12,0.954,2.289428485,0,5.656854249,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,2.312,6,4,0,0,0,0,0,0,0,21,1.791759469,1.945910149,1.609437912,0,0,0,0,0,0,0,3.091042453,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,5,1,0,2,3,0.5,2,0.888888889,0,0,0,0,0,0,0,0,0.4,0.148148148,0,0,0,0,0,0,0,0,0.548148148,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,0,112.3323665,3.584962501,3.135494216,3.761200116,4.465908119,5.141663557,5.837730447,6.52649486,7.220373837,7.912423121,8.605753368,63.60704164,2.397895273,0,3.555348061,0,4.875197323,0,6.244166901,0,7.626082758,7.917536354,86.10955045,4.305477522,10.52364588,1.75394098,0,0,0,29,4,3.632,22,1.220894737,2.102277173,2.89859324,3.47334354,4.115165053,0,0,0,0,0,67.74862772,73.47135818,66.05620195,22.07028228,4.181271064,0,0,0,0,0,263.8372191,318.2040354,359.7349777,247.8091267,127.9147388,0,0,0,0,0,8.859366903,14.89518524,20.44560421,24.00283269,27.64758826,0,0,0,0,0,2.030985313,2.627636527,3.206787562,2.662562765,1.829655488,0,0,0,0,0,176.3944505,330.3755672,460.8234501,589.1298589,760.9666592,0,0,0,0,0,2.559625731,3.497124995,5.089937611,5.145068617,4.115165053,0,0,0,0,0,0.422269342,0.554342331,0.68472227,0.585699749,0.421392901,0,0,0,0,0,341.5644253,115.1736308,8.129582118,112.4603776,-37.92101593,-6.373387515,229.1040477,153.0946467,14.50296963,0.752303449,0.253672553,0.01790559,0.247696551,-0.083521904,-0.014037532,155.0787209,52.29168502,3.691031919,51.05980078,-17.21708178,-2.89367601,0.087844528,0.184849795,1.476908679,9.07452503,454.0248029,0,1,0,310.4078457,17.6183951,6.770866172,446.0263509,21.11933595,7.640471717,503.5591896,22.44012455,7.95579362,1.095700112,1.095700112,255.679439,164.7124546,118.6666439,1.55227751,2.154602428,1.388026569,3.532260473,3.220218461,5.261260744,0.633821061,3.904607748,4.742636052,2.408522585,18.69618632,4.510970233,1.635278887,6.001064432,13.31635606,3.754449779,0.01337715,7.94E-24,9.09E-67,2.01E-131,8.55E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,4.742376457,0.139023705,6.586708969,1.027368117,0.01558003,0.497688558,0.642336396,0.026442897,9.42E-05,5.59E-26,6.40E-69,1.41E-133,6.03E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,4.742394355,0.490368403,8.371590147,1.27629144,0.130407557,1.412112496,2.386671638,0.275555372,9.82E-04,5.83E-25,6.67E-68,1.47E-132,6.28E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,4.742607746,2.229996002,17.71184279,4.134211783,1.4597836,5.59023834,12.24234147,3.34514716,0.0119188,7.08E-24,8.10E-67,1.79E-131,7.62E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,4.74241706,0.764783446,9.800816279,1.584392628,0.273304842,2.101872218,3.834318875,0.59854309,0.002132616,1.27E-24,1.45E-67,3.20E-132,1.36E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,4.742754953,3.114477054,22.61668698,6.091573284,2.371735558,7.606091609,17.63144173,5.475512154,0.019509317,1.16E-23,1.33E-66,2.93E-131,1.25E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.35322342,3.734703825,0.984485015,11.91723254,2.396995125,0.533363303,3.389934893,6.470975941,1.187931375,0.004232614,2.51E-24,2.88E-67,6.35E-132,2.71E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.353508434,1.82696324,0.547657828,0.497767338,0.386402961,0.595617779,0.646277336,0.461231332,4.728129502,6.58924143,13.67217549,0.326255448,1.703126448,1.751870811,1.217133898,0.160766133,0.559744115,0.388889142,0.332177479,0.286837563,0.040820821,3.129770842,2.609576755,6.082143008,0.422949886,0.659835863,2.002531867,1.471359938,0.3222038,0.527524087,0.38759823,0.432713285,0.419176727,0.162096932,3.796095606,4.065746306,8.81119774,0.372683475,1.013986944,2.339742386,1.813022796,0.538826507,0.498709722,0.386440875,0.58874169,0.636452266,0.446733762,4.691591689,6.47962624,13.45692336,0.327725895,1.671927718,2.109123706,1.579398549,0.390741833,0.517035343,0.387177323,0.479456928,0.482995158,0.237266936,4.079264088,4.772406869,10.15328941,0.356318998,1.199719023,2.39626597,1.870259062,0.575082531,0.494931888,0.386288859,0.617228405,0.677271566,0.507676046,4.841607563,6.935242158,14.35416153,0.32183112,1.802176018,2.345528543,1.818407862,0.538649062,0.498774251,0.386682576,0.591554415,0.640238681,0.446069402,4.702585468,6.508027983,13.5080204,0.32818524,1.677862498 +UMLMON0017,L,"2,3-Dimethylbutane",CC(C)C(C)C,6589,,"Sandia, UML",[9],C6H14,PubChem,,94.3,0,1.5162,2.29886244,44.5386,28.268688,0,0,26,10,16,0,10,0,0,0,0,0,0,0,0,0,1458.898234,1780.618739,2622.07984,2464.702309,1324.899917,331.212672,27.433728,0,0,4732.508928,6494.471781,9986.607026,11261.74726,8567.052789,3997.02857,839.2610996,0,0,182.900584,196.827788,372.49216,493.420756,600.65906,439.561728,181.398528,0,0,35.00280648,48.49460896,77.3517497,93.26273012,81.39792133,44.50957963,12.00454843,0,0,4226.625993,3844.69868,7890.867563,10477.55014,14117.93169,11071.64723,4992.776605,0,0,44.39583333,54.88888889,88.86111111,121.8888889,130,86,27,0,0,56.11147054,65.94884219,50.42461231,35.72032332,15.40581299,5.175198,1.016064,0,0,182.0195742,240.5359919,192.0501351,163.2137285,99.61689289,62.45357141,31.08374443,0,0,7.034637846,7.289918074,7.163310769,7.151025449,6.984407674,6.868152,6.718464,0,0,1.346261788,1.796096628,1.487533648,1.35163377,0.946487457,0.695462182,0.444612905,0,0,162.5625382,142.3962474,151.7474531,151.8485527,164.1619964,172.9944879,184.917652,0,0,1.707532051,2.032921811,1.708867521,1.766505636,1.511627907,1.34375,1,0,0,0.040369169,-0.002397782,0.001990696,-0.021184549,-0.013804492,-0.007026008,0.022237551,0,0,745.0215938,45.8474827,214.1937082,-636.1338224,-508.6205112,28.65467669,483.5476691,0,0,1385.399467,85.25535183,398.3023469,-1182.918007,-945.8015594,53.2845949,899.1775389,0,0,0.145944615,0.008981207,0.041959077,-0.124614249,-0.099635266,0.005613254,0.094723669,0,0,6.193380214,0.38113109,1.780596812,-5.288193875,-4.228173031,0.238206931,4.019741966,0,0,33.64253962,2.070310131,9.672230141,-28.72555306,-22.96750301,1.293943832,21.83530216,0,0,3.562232906,-1.292457676,1.241185897,-1.796833909,-0.196766108,-1.467291256,1.731046598,0,0,0.00155266,-8.88E-05,3.83E-05,-3.07E-04,-1.61E-04,-1.10E-04,8.24E-04,0,0,28.65467669,1.698054915,4.119109774,-9.21933076,-5.914191991,0.447729323,17.90917293,0,0,53.2845949,3.157605624,7.659660516,-17.14373923,-10.99769255,0.832571795,33.30287181,0,0,0.005613254,3.33E-04,8.07E-04,-0.001806004,-0.00115855,8.77E-05,0.003508284,0,0,0.238206931,0.014115966,0.034242246,-0.076640491,-0.049164803,0.003721983,0.148879332,0,0,1.293943832,0.076678153,0.186004426,-0.416312363,-0.267063988,0.020217872,0.808714895,0,0,0.137008958,-0.047868803,0.02386896,-0.026041071,-0.002287978,-0.022926426,0.064112837,0,0,-0.057196494,0.024656137,-0.197739611,-0.103382141,-0.070705337,0.53045278,0,0,0.059259259,0.14375,-0.32173913,-0.206395349,0.015625,0.625,0,0,0.059259259,0.14375,-0.32173913,-0.206395349,0.015625,0.625,0,0,0.059259259,0.14375,-0.32173913,-0.206395349,0.015625,0.625,0,0,0.059259259,0.14375,-0.32173913,-0.206395349,0.015625,0.625,0,0,0.059259259,0.14375,-0.32173913,-0.206395349,0.015625,0.625,0,0,-0.349384475,0.174214591,-0.190068383,-0.016699477,-0.167335233,0.467946315,0,0,1.266440244,1.00759,1.304642559,1.025095651,0.906761576,0.081486295,0,0,1.203703704,0.9765625,1.413043478,1.110101744,0.76171875,0,0,0,1.203703704,0.9765625,1.413043478,1.110101744,0.76171875,0,0,0,1.203703704,0.9765625,1.413043478,1.110101744,0.76171875,0,0,0,1.203703704,0.9765625,1.413043478,1.110101744,0.76171875,0,0,0,1.203703704,0.9765625,1.413043478,1.110101744,0.76171875,0,0,0,1.693145496,0.664973382,1.290460341,0.939596262,1.169678338,0,0,0,39.92381683,19.7199784,27.4566027,39.92381683,3.992381683,19.71997841,7.11E-15,0.035593646,0.003559365,-3.335588142,145.9385937,14.59385937,4.983185942,39.92381683,19.7199784,27.4566027,39.92381683,3.992381683,19.71997841,7.11E-15,0.035593646,0.003559365,-3.335588142,145.9385937,14.59385937,4.983185942,39.92381683,19.7199784,27.4566027,39.92381683,3.992381683,19.71997841,7.11E-15,0.035593646,0.003559365,-3.335588142,145.9385937,14.59385937,4.983185942,39.92381683,19.7199784,27.4566027,39.92381683,3.992381683,19.71997841,7.11E-15,0.035593646,0.003559365,-3.335588142,145.9385937,14.59385937,4.983185942,39.92381683,19.7199784,27.4566027,39.92381683,3.992381683,19.71997841,7.11E-15,0.035593646,0.003559365,-3.335588142,145.9385937,14.59385937,4.983185942,39.92381683,19.7199784,27.4566027,39.92381683,3.992381683,19.71997841,7.11E-15,0.035593646,0.003559365,-3.335588142,145.9385937,14.59385937,4.983185942,49.21758221,24.40758742,35.12811696,49.01541554,4.901541554,24.40758742,-0.336944444,0.180684635,0.018068463,-1.711002116,74.02027556,7.402027556,4.30433905,0,11.89,12.11015511,-0.153423378,0.069300431,6.577301475,9.816076602,11,27,26,26,10,1,1,0,0,1,17.491312,3.902054326,3.173607675,2.749668339,2.564276873,2.333552793,2.073444367,1.41256801,1.159588096,2.125583559,1.606580886,1.395579907,1.249629723,1.224216765,0.851614291,0.522646307,0.421216994,3.915982867,3.198696865,2.792161841,2.609682838,2.405454588,2.133637739,1.498354552,1.260702385,2.090110827,1.536801694,1.302965327,1.134540686,1.131777154,0.750928313,0.383966589,0.269854356,3.978823716,3.317045018,2.984187961,2.809854116,2.704236987,2.384397441,1.860537895,1.682509344,1.991730114,1.34215039,1.023015111,0.849575875,0.76031856,0.431633738,0.071042959,0.239156422,3.926321627,3.217622245,2.823832491,2.643220977,2.457539916,2.177278648,1.560959119,1.334316387,2.068088436,1.493145015,1.24314831,1.071916453,1.058262671,0.684997995,0.291653469,0.168187656,4.010549246,3.379074996,3.07891581,2.906445494,2.838982085,2.498062194,2.02492274,1.869907755,1.962628007,1.285861395,0.935020674,0.759246798,0.631337262,0.323103363,0.228316303,0.419922508,3.882443634,3.317270111,2.902486447,2.688719384,2.662620106,2.259781596,1.620964365,1.415882367,2.119109829,1.367149078,1.134602198,1.005377287,0.85357488,0.580850686,0.184269599,0.032951857,0,0,0,1,1,3,2,2,1,0,0.11785113,0.387076975,0.759946456,1.178528219,0,0.11785113,0.377961159,0.667227585,0.926021831,1.40857456,0.166666667,0.648271461,0.151374715,1.323749909,0.166666667,0.589843002,0.142258898,3.260153798,4.31544863,4.893089478,2.971157092,3.617852564,3.767092819,7.353371151,4.621027034,4.915120116,4.203665235,3.059150443,2.048616017,1.145707649,0.340206909,0.735337115,0.420093367,0.273062229,0.168146609,0.109255373,0.068287201,0.05207762,0.034020691,7.14626437,4.2876937,4.49042209,3.744517166,2.541240381,1.579654691,0.844655444,0.240562612,0.714626437,0.389790336,0.249467894,0.149780687,0.090758585,0.052655156,0.038393429,0.024056261,14.33462243,25.10269483,23.80392157,24.08,16.38843593,197.7114299,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,2.92489,43.482,47.52016661,65.02412399,95.04033322,9.504033322,47.52016661,0.004736954,4.74E-04,-5.352360875,61.98482058,6.198482058,4.126889526,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,6,3,0,1,0,0,0,0,0,0,0,0,3,0,2,0,1,0,2,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.080439815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252916667,0,0,1.518611111,0.870833333,0,0.252916667,0,0,0,0,0,0,0,0,7.131412037,0,2.810185185,0,2.434606481,0,1.923564815,0,0,1.645833333,0,0,0.637731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.645833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252916667,0,0,0.225625,0.290277778,0,0.252916667,0,0,0,0,0,0,0,0,2.293449074,0,1.342592593,0,2.434606481,0,0.922453704,0,0,1.645833333,0,0,0.637731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.434606481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252916667,0,0,0.290277778,0.290277778,0,0.252916667,0,0,0,0,0,0,0,0,2.418981481,0,1.467592593,0,2.434606481,0,1.001111111,0,0,1.645833333,0,0,0.637731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.58333333,1.658333333,0.290277778,2.434606481,-0.005208333,0.637731481,5.858665833,0.612268519,0.434606481,3.132037037,0.612268519,0.434606481,3.132037037,5,0.5,0,0,0.45385,0.7,0.44286,0.44286,0.7,0.01099,0.01099,0,0,0.71429,0,0,0.3,0.3,0.1,6.5,0.65,5.5,0.55,1,0.1,-4.5,-0.45,0,0,10.96164,1.09616,12.14436,1.18272,0.11827,4.08466,0.40847,4.62101,0.53635,0.05364,0.29299,0.0293,0.37899,0.0379,0.269230769,31,0,0,0,0,0,0,0.8,0.961236605,2.369541298,3.690260391,3.690260391,3.690260391,3.613337314,24.99215172,61.60807374,95.94677017,95.94677017,95.94677017,93.94677017,0.204499294,0.50411056,0.785088335,0.785088335,0.785088335,0.768723254,3.739203113,2.330898421,1.010179327,1.010179327,1.010179327,1.087102404,0.199951246,0.49289918,0.767628031,0.767628031,0.767628031,0.751626908,6.796774065,21.41486027,22.74591403,22.74591403,22.74591403,21.82283711,38.70844392,19.14156354,17.78203736,17.78203736,17.78203736,19.02839415,6.694214876,1.777777778,0.7168,0,2,0,2.56,1.2574,0.944940787,2.94389819,4.112265279,2.080083823,1.650963624,5.853800636,1.310370697,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0.003,0.162,0.163,0.346,0.549,4.525,18,25,28,30,22,10,2,0,0,156,2.564949357,3.091042453,3.433987204,3.663561646,3.891820298,3.663561646,3.044522438,1.609437912,0,0,5.402677382,1.416666667,0.25,1,0,1,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,3,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.272727273,0,3,4,0.333333333,3.5,2.222222222,1.75,0.444444444,0,0,0,0,0,0,0.318181818,0.138888889,0.134615385,0.088888889,0,0,0,0,0,0,0.680574981,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,0,154.1669289,4.321928095,4.077537444,4.976733742,5.92157842,6.844815479,7.791109511,8.718500048,9.665293813,10.593555,11.5405309,91.12965436,3.135494216,0,4.634728988,0,6.385194399,0,8.219056661,0,10.08008442,10.25058175,136.1252005,5.235584635,19.92298566,1.992298566,0,0,0,102,13,4.177,58,1.273091135,2.199900578,3.052208135,3.70055507,4.424265193,5.044821881,0,0,0,0,96.55520465,122.6260429,114.0626222,60.57811174,23.26957246,5.1258619,0,0,0,0,335.6550961,454.3778494,512.4643935,382.8536487,279.125411,156.8119541,0,0,0,0,9.321036528,15.82470435,21.85849518,25.89463366,30.39995464,33.8934542,0,0,0,0,2.446278316,3.462407969,4.212504685,3.601557872,3.099413306,2.242992911,0,0,0,0,178.7739743,329.1639358,461.1715922,603.7671658,764.3038409,932.8766172,0,0,0,0,2.634374185,3.8987795,5.466656125,5.695355606,5.971311504,5.044821881,0,0,0,0,0.50355043,0.71950794,0.88643297,0.776170561,0.685965977,0.516589761,0,0,0,0,324.1764953,150.2662412,9.690821507,58.2429025,-26.99746022,-2.995276581,265.9335928,177.2637015,12.68609809,0.84769888,0.392935719,0.025340821,0.15230112,-0.070596472,-0.007832439,123.9713801,57.46472549,3.705958125,22.2732157,-10.32435248,-1.145451866,0.123339056,0.182220902,3.470667977,1.031508294,382.4193978,0,1,0,701.5830335,26.48741274,8.885728225,856.7879231,29.27093991,9.497831169,1326.574307,36.42216779,10.98779447,1.267190306,1.267190306,432.9616768,399.8347712,251.1185599,1.082851487,1.724132525,1.592215133,4.028890249,3.535499414,6.547554941,0.851946267,4.544113569,9.256989889,4.150684392,22.51325582,9.180196577,17.77165723,14.29998748,18.66298116,6.983673795,3.323965172,1.984403618,0.904838315,1.29E-09,4.01E-40,2.41E-92,2.79E-166,6.23E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,0.381398455,9.195245642,0.825316628,11.290933,0.953691985,1.763960646,1.237142698,0.884603224,1.050419802,0.121245927,0.021537255,0.00637285,9.07E-12,2.82E-42,1.69E-94,1.96E-168,4.38E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,1.231097356,9.199372115,1.295757657,13.02868104,2.141715074,4.33159559,3.057584704,3.199711371,1.521335225,0.495317192,0.165069511,0.066410013,9.45E-11,2.94E-41,1.77E-93,2.05E-167,4.57E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,4.289275132,9.250211124,3.873404881,21.63061174,8.502811981,16.54408414,13.20101576,17.1098093,6.358590168,3.028958301,1.773274052,0.806194648,1.15E-09,3.57E-40,2.14E-92,2.48E-166,5.55E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,1.814389013,9.20472176,1.68056037,14.38577803,3.103097748,6.302004512,4.558445029,5.179066179,2.064381102,0.835145798,0.339947307,0.144251422,2.05E-10,6.39E-41,3.84E-93,4.44E-167,9.92E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,5.487665595,9.285493547,5.261009704,26.00340308,11.88554267,22.59793149,18.70878795,24.94141418,9.595392742,4.528580287,2.869404497,1.319621644,1.88E-09,5.85E-40,3.51E-92,4.06E-166,9.08E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,2.966696164,7.789068193,2.104020939,16.67451909,4.711784062,9.202364782,7.693135406,8.876555211,3.804278059,1.671424186,0.75734484,0.329023806,4.68E-10,1.46E-40,8.75E-93,1.01E-166,2.26E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,3.083169168,1.688542023,1.41593876,0.498277891,0.272889067,0.447060015,0.45825404,0.389563688,6.187649951,11.96251153,25.52162462,0.247416837,1.294877743,2.138716653,1.049895441,0.803556927,0.535727982,0.262988725,0.215934426,0.182171576,0.131772549,3.99216902,4.807660198,10.60415913,0.303591973,0.52987855,2.48816936,1.285993945,1.030845824,0.517828227,0.267636109,0.291730302,0.270158391,0.212620762,4.805009129,7.090351214,15.19383064,0.276742341,0.774509455,3.057022051,1.67083561,1.39906042,0.498949392,0.272704088,0.43953796,0.448968692,0.380775664,6.12691808,11.72233982,24.99535256,0.248424088,1.269282316,2.654299481,1.398312885,1.13859245,0.511307023,0.269361918,0.331766683,0.317812032,0.257129592,5.191204816,8.325815009,17.74295257,0.266960535,0.906708308,3.166054762,1.744681202,1.469417933,0.496234858,0.273454407,0.471327919,0.488312809,0.418028676,6.380153897,12.73967972,27.23654007,0.244352287,1.377669404,3.073232441,1.672766069,1.401899297,0.499883462,0.272087488,0.444297978,0.449952067,0.382322269,6.147897807,11.79421092,25.14899116,0.249825193,1.276572314 +UMLMON0018,L,"2, 6, 6- trimethyl- , (1R, 5R) -bicyclo[3.1.1] hept- 2- ene",CC1=CC[C@@H]2C[C@H]1C2(C)C,6654,Opting for Sandia/Co-optima NREL-measured values,"Sandia, UML",[1],C10H16,UML,stereochemistry,57.3,0,1.8012,3.24432144,43.5888,21.174344,6,6,17,9,8,0,9,0,0,0,0,0,0,0,0,0,1306.505601,1539.497914,2070.163045,1558.722321,802.096516,118.108368,5.08032,0,0,4060.322071,5153.061948,7372.589329,6407.623526,3976.912913,1312.383247,155.4187222,0,0,121.612356,132.346216,218.627284,257.6457,205.308688,124.524864,33.59232,0,0,28.65700324,36.79735448,54.51702186,51.15220794,34.31168791,14.02341493,2.223064524,0,0,2620.490421,2492.923943,4283.205045,5466.228619,4557.806847,3042.361798,924.5882601,0,0,39.80555556,49.27777778,74.66666667,76.66666667,56.33333333,26.5,5,0,0,76.85327065,85.52766189,69.00543483,43.29784225,27.65850055,6.561576,1.016064,0,0,238.8424748,286.2812194,245.7529776,177.9895424,137.134928,72.9101804,31.08374443,0,0,7.153668,7.352567556,7.287576133,7.156825,7.079609931,6.918048,6.718464,0,0,1.685706073,2.044297471,1.817234062,1.420894665,1.183161652,0.779078607,0.444612905,0,0,154.1464954,138.4957746,142.7735015,151.8396839,157.1657534,169.0200999,184.917652,0,0,2.341503268,2.737654321,2.488888889,2.12962963,1.942528736,1.472222222,1,0,0,0.050368443,-0.001738403,-0.018052148,-0.002615117,-0.016550853,-0.00156578,0.01533808,0,0,512.7501558,26.81046566,-100.1203327,-188.5110867,-198.1460978,33.9319956,169.659978,0,0,953.4808099,49.85520574,-186.178034,-350.5444154,-368.46113,63.09799477,315.4899739,0,0,0.100444235,0.005251986,-0.019612886,-0.036928028,-0.03881546,0.006647045,0.033235225,0,0,4.262502853,0.222875966,-0.832302436,-1.567096637,-1.647192688,0.282077395,1.410386974,0,0,23.15398315,1.210665786,-4.521080043,-8.512493806,-8.947576822,1.532248885,7.661244425,0,0,3.529411765,0.040753556,-1.06497501,-0.382545175,-1.324682814,-0.094867359,1.061610919,0,0,0.00296285,-9.66E-05,-6.02E-04,-7.26E-05,-5.71E-04,-8.70E-05,0.003067616,0,0,30.16177387,1.489470314,-3.337344423,-5.236419074,-6.832624061,1.885110867,33.9319956,0,0,56.08710646,2.769733652,-6.205934465,-9.737344872,-12.70555621,3.505444154,63.09799477,0,0,0.005908484,2.92E-04,-6.54E-04,-0.001025779,-0.001338464,3.69E-04,0.006647045,0,0,0.250735462,0.012381998,-0.027743415,-0.043530462,-0.056799748,0.015670966,0.282077395,0,0,1.361999009,0.06725921,-0.150702668,-0.236458161,-0.308537132,0.085124938,1.532248885,0,0,0.207612457,0.002264086,-0.035499167,-0.010626255,-0.045678718,-0.005270409,0.212322184,0,0,-0.032596303,-0.203094438,-0.024517665,-0.19262506,-0.029359495,1.035360031,0,0,0.049382716,-0.110648148,-0.173611111,-0.226532567,0.0625,1.125,0,0,0.049382716,-0.110648148,-0.173611111,-0.226532567,0.0625,1.125,0,0,0.049382716,-0.110648148,-0.173611111,-0.226532567,0.0625,1.125,0,0,0.049382716,-0.110648148,-0.173611111,-0.226532567,0.0625,1.125,0,0,0.049382716,-0.110648148,-0.173611111,-0.226532567,0.0625,1.125,0,0,0.01090535,-0.170987654,-0.051183128,-0.220019157,-0.025385802,1.022685185,0,0,0.922345645,1.065178335,0.905478443,1.203963192,1.094809911,0.044738688,0,0,0.839506173,1.007407407,1.101851852,1.172413793,0.944444444,0,0,0,0.839506173,1.007407407,1.101851852,1.172413793,0.944444444,0,0,0,0.839506173,1.007407407,1.101851852,1.172413793,0.944444444,0,0,0,0.839506173,1.007407407,1.101851852,1.172413793,0.944444444,0,0,0,0.839506173,1.007407407,1.101851852,1.172413793,0.944444444,0,0,0,0.895473251,1.040987654,0.958436214,1.222349936,1.038888889,0,0,0,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,30.317021,14.66707332,21.92343639,30.28286463,3.364762736,14.66707563,-0.102469136,0.144770163,0.016085574,-1.739347092,216.0523556,24.00581728,4.837968689,0,11.85,12.15009716,-0.197483701,0.10336398,6.851794432,8.733662621,10,18,14,11,3,4,1,0,0,7,8.745656,3.896642869,3.213856999,2.711209086,2.265275095,1.999283045,0.936349217,0.751386979,0.634275881,1.934663649,1.635236263,1.166563237,0.992187746,0.55514387,0.294610037,0.237639127,0.004773746,3.906018791,3.233726211,2.734050231,2.287507301,2.053559467,1.04484566,0.879623337,0.764597328,1.908081025,1.583761609,1.103231272,0.913134037,0.42960752,0.133317731,0.069566919,0.133169099,3.948865863,3.325185468,2.843673216,2.401360429,2.295920056,1.502669846,1.396578303,1.263883454,1.837512721,1.441000237,0.935421825,0.694878529,0.030291288,0.415822314,0.514960157,0.637614483,3.913004563,3.248580273,2.75136921,2.30466166,2.093975113,1.124382985,0.972041416,0.856620342,1.891888708,1.551742321,1.064476098,0.863838385,0.346984783,0.024461402,0.044590564,0.229106292,3.970886389,3.372202182,2.902425032,2.470703929,2.408863196,1.705744533,1.616773175,1.466689105,1.817471268,1.399189685,0.889108699,0.632767116,0.102491581,0.61276886,0.732013266,0.830489281,3.910423864,3.299254781,2.783105405,2.322194358,2.099619403,1.227102121,1.085719563,0.945399274,1.880422863,1.535027537,1.038359787,0.78198663,0.272552999,0.09656656,0.171181567,0.310357178,0,0,0,6,2,0,1,0,0,0,0,0.11785113,0.25,0.294627825,0,0,0.058925565,0.09581916,0.094604928,0.333333333,0,0.083333333,0,0.185395406,0,0.034020691,0,0.942809042,1.5,1.414213562,0.438965393,0.58115787,0.449778435,6.104448007,4.466326495,3.735520021,3.216326495,2.686765231,1.779039102,0.936856351,0.560395406,0.678272001,0.44663265,0.287347694,0.189195676,0.127941201,0.088951955,0.06245709,0.043107339,5.171208396,3.211160418,2.305306794,1.690268696,1.195541839,0.647631238,0.291807263,0.146769731,0.574578711,0.321116042,0.177331292,0.09942757,0.056930564,0.032381562,0.019453818,0.011289979,11.16731122,16.55134741,15.90196078,16.04,12.19421796,125.8264934,0.65690066,0.973608671,0.935409458,0.943529412,0.717306939,7.401558436,2.07319,38.118,55.16228989,65.35541437,110.3245798,12.25828664,55.16228989,5.55E-17,6.17E-18,-33.68695298,2000024.663,222224.9625,13.05780306,70,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,4,0,0,1,1,6,0,0,0,0,0,0,0,0,0,0,1,0,2,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.71212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.809722222,1.730972222,0,0,0.449583333,0.422222222,2.540694444,0,0,0,0,0,0,0,0,0,0,1.121203704,0,4.375,8.494537037,0,0,0,0,2.842592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.386574074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.3875,0.422222222,0,0,0.449583333,0.422222222,0.3875,0,0,0,0,0,0,0,0,0,0,1.121203704,0,2.175925926,2.07787037,0,0,0,0,1.386574074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.199074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.44,0,0,0.449583333,0.422222222,0.44,0,0,0,0,0,0,0,0,0,0,1.121203704,0,2.199074074,2.175925926,0,0,0,0,1.456018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.83333333,1.87037037,0.449583333,2.199074074,0.1875,1.121203704,4.873805278,0.378796296,0.199074074,1.739074074,0.378796296,0.199074074,1.739074074,4.5,0.5,0,0,0.51176,0.7,0.444,0.444,0.7,0.06776,0.06776,0,0,0.71429,0,0,0,0.22222,0,12.5,1.38889,5,0.55556,7.5,0.83333,2.5,0.27778,0,0,3.96363,0.4404,9.28813,5.3245,0.59161,1.90401,0.21156,4.46631,2.56231,0.2847,-0.05231,-0.00581,0.11969,0.0133,0.529411765,28,0,0,0,0,0,0,0.111111111,0.997502546,2.374556048,3.051601637,3.734521665,3.969815782,3.969815782,16.95754329,40.36745282,51.87722783,63.4868683,67.4868683,67.4868683,0.244039539,0.580936425,0.746575995,0.91365275,0.971217583,0.971217583,3.089960295,1.712906793,1.035861204,0.352941176,0.117647059,0.117647059,0.223683786,0.532479529,0.684302821,0.83744342,0.890206672,0.890206672,6.344815581,18.67288768,24.2756135,27.55027151,27.78740681,27.78740681,30.32476541,25.25701081,19.49398732,15.64396901,15.15280128,15.15280128,5.76,2.319526627,0.996539792,0,8,0,2.45,0.9875,0,0,0,0,9.480406828,8.052870517,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.137,0.136,0.779,1.016,4.691,13,17,21,20,15,13,11,0,0,129,2.708050201,3.238678452,3.801091445,4.342180726,4.710093106,4.627420795,4.801199445,4.906431517,0,0,6.452443198,4.908914729,0.25,2,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,3,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,4,0.333333333,1,0.888888889,0.319444444,0.097222222,0,0,0,0,0,0,0.1,0.068376068,0.035493827,0.024305556,0,0,0,0,0,0,0.228175451,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,0,118.0615681,4.169925001,3.850147602,4.672828834,5.509388337,6.34738921,7.189167738,8.030409562,8.873047799,9.715168044,10.55791989,83.74546702,3.044522438,0,4.290459441,2.397895273,5.752572639,4.59511985,7.311218384,6.580639137,8.914760527,9.22818029,116.0626003,6.82721178,18.55905426,2.06211714,0,0,0,79,9,2.923,46,1.266032656,2.24068407,3.145944771,4.196552669,5.269082866,6.298029617,0,0,0,0,117.7980375,163.4385491,145.7124652,121.5203329,35.00702698,6.399201165,0,0,0,0,384.6780348,572.0748998,588.506467,595.3132706,387.4397065,195.766343,0,0,0,0,9.339044419,16.3625057,22.58546616,29.77202508,36.46737134,42.31308526,0,0,0,0,2.708797283,4.191100429,4.648728755,5.099125382,4.131177738,2.800185243,0,0,0,0,173.4441615,317.7360472,472.525205,654.8379348,889.3380668,1164.616849,0,0,0,0,3.569549712,5.693123284,6.903241497,8.328535063,7.794921594,6.298029617,0,0,0,0,0.553903369,0.863702879,0.971889141,1.081327551,0.907445661,0.644918233,0,0,0,0,228.3880263,100.1953686,12.68954492,187.6226546,-82.31132491,-10.6417581,40.76537172,182.5066935,23.33130301,0.548995583,0.240848068,0.030502931,0.451004417,-0.197858682,-0.025580492,95.01185835,41.68234353,5.278986223,78.0530283,-34.24239033,-4.427085032,0.142127198,0.180347364,4.103108866,5.966608809,416.0106809,0,1,0,741.8708376,27.23730599,9.052657716,820.641,28.64683229,9.362339889,1220.28383,34.93256117,10.68612587,1.319167367,1.219497294,442.4080688,319.0929384,126.6448893,1.386455216,3.493295869,2.51958796,3.762660785,3.873610987,6.748577395,0.742192858,2.721209682,3.822859818,3.558054949,8.207652392,6.908287372,4.287311887,1.942166748,3.418199767,2.166748297,1.112986013,0.734252855,0.007638464,0.002443511,3.16E-25,9.77E-69,6.05E-134,7.25E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0.228422913,3.822817043,0.311298794,2.872405008,0.56381672,0.955912127,0.275845259,0.704820248,0.042001668,0.026587266,0.005209767,5.38E-05,1.72E-05,2.23E-27,6.88E-71,4.26E-136,5.11E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0.737253837,3.822820072,0.969150423,3.241493333,1.793086738,1.635920847,0.517984739,1.252544986,0.227728075,0.129855179,0.053988569,5.61E-04,1.79E-04,2.32E-26,7.17E-70,4.44E-135,5.32E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,2.568603062,3.822855182,3.357564297,7.626338118,6.496615576,4.083365629,1.805489325,3.249918658,1.948945835,1.004559895,0.65423249,0.006805734,0.002177124,2.82E-25,8.71E-69,5.39E-134,6.46E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,1.086550314,3.822823844,1.422194071,3.70862878,2.656471047,2.10272581,0.713301832,1.63036212,0.428853731,0.23592727,0.117175982,0.001217742,3.90E-04,5.04E-26,1.56E-69,9.64E-135,1.16E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,3.286243306,3.822879273,4.302341977,10.64918369,8.458941635,5.042433482,2.487582839,4.043732798,3.072780193,1.562033373,1.07071365,0.011139982,0.003563631,4.61E-25,1.43E-68,8.82E-134,1.06E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,1.47604419,3.490189992,1.96740902,4.411232111,3.558754243,2.555346474,0.94267032,2.086163511,0.717723362,0.382161119,0.210032,0.002183488,6.98E-04,9.03E-26,2.79E-69,1.73E-134,2.07E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,4.01189037,1.980175895,0.097163904,0.658850176,0.325193143,0.564901957,0.506910216,0.117660855,6.089230169,8.526461156,15.38758553,0.488275264,1.189473028,2.739523755,1.081213652,0.014334839,0.714334328,0.281927845,0.263285052,0.152397061,0.002560983,3.835072246,3.016780139,6.894312329,0.571501492,0.418243096,3.133964941,1.361477995,0.040072646,0.690983172,0.300181527,0.344473216,0.241235978,0.020013249,4.535515581,4.446968594,9.153467113,0.536474757,0.605722443,3.96624416,1.948149272,0.094200941,0.660095176,0.324227124,0.552084633,0.490843812,0.110594252,6.008594373,8.2839771,15.02044667,0.490142764,1.153522696,3.349105361,1.513678809,0.054085508,0.681145847,0.307854165,0.39340869,0.297783264,0.036457221,4.916869677,5.332475962,10.52353049,0.521718771,0.727649175,4.161844459,2.085295,0.106894106,0.65499252,0.328184448,0.608058997,0.561398877,0.14240645,6.354033565,9.346455827,16.62818843,0.482488781,1.311864324,3.970829382,1.948192822,0.094087592,0.660362028,0.323990895,0.55331789,0.491115645,0.110328261,6.013109796,8.292847845,15.03381373,0.490543043,1.154761796 +UMLMON0019,L,indene,C1C=CC2=CC=CC=C21,7219,Sandia values from independent api report ,Sandia,,C9H8,PubChem,,100.7,0,2.2962,5.27253444,39.5198,20.74793,6,6,18,8,10,0,8,0,0,0,0,0,0,0,0,0,1164.273608,1275.183848,1618.236826,1423.517096,611.441042,119.210112,6.096384,0,0,3698.972658,4535.501378,6027.984113,6005.592007,4078.855785,1601.735308,186.5024666,0,0,127.508768,131.500448,215.362792,237.067424,253.887176,204.747264,40.310784,0,0,26.75732905,33.4466431,46.14629777,48.14301353,38.0868553,18.68983839,2.667677429,0,0,2863.531369,2545.580326,4521.165141,4937.803854,5714.116169,5293.168726,1109.505912,0,0,39.55555556,48.11111111,67.33333333,74.33333333,67.33333333,38,6,0,0,64.68186711,70.84354711,53.94122753,43.1368817,16.98447339,3.9736704,1.016064,0,0,205.498481,251.9722988,200.9328038,181.9876366,113.3015496,53.39117695,31.08374443,0,0,7.083820444,7.305580444,7.178759733,7.183861333,7.052421556,6.8249088,6.718464,0,0,1.48651828,1.858146839,1.538209926,1.458879198,1.057968203,0.622994613,0.444612905,0,0,159.0850761,141.4211292,150.7055047,149.6304198,158.7254491,176.4389575,184.917652,0,0,2.197530864,2.672839506,2.244444444,2.252525253,1.87037037,1.266666667,1,0,0,0.042011374,0.00113106,-0.00465623,-0.017417678,-0.026637868,0.016286619,0.010288411,0,0,538.0711511,2.98E-13,98.6463777,-286.9712806,-511.1675936,286.9712806,143.4856403,0,0,1000.566282,-7.11E-14,183.4371517,-533.6353504,-950.5379679,533.6353504,266.8176752,0,0,0.105404444,1.52E-15,0.019324148,-0.056215704,-0.100134222,0.056215704,0.028107852,0,0,4.472996822,4.16E-15,0.820049417,-2.385598305,-4.24934698,2.385598305,1.192799152,0,0,24.29738973,4.40E-14,4.45452145,-12.95860785,-23.08252024,12.95860785,6.479303927,0,0,3.901234568,-0.679012346,1.028806584,-1.041152263,-3.975308642,1.720164609,0.995884774,0,0,0.002333965,6.28E-05,-1.55E-04,-5.28E-04,-7.40E-04,5.43E-04,0.001714735,0,0,29.89284173,1.66E-14,3.28821259,-8.696099412,-14.19909982,9.565709353,23.91427338,0,0,55.58701566,-3.95E-15,6.114571723,-16.17076819,-26.40383244,17.78784501,44.46961253,0,0,0.005855802,8.46E-17,6.44E-04,-0.001703506,-0.002781506,0.001873857,0.004684642,0,0,0.248499823,2.31E-16,0.027334981,-0.072290858,-0.118037416,0.079519943,0.198799859,0,0,1.349854985,2.44E-15,0.148484048,-0.392685086,-0.641181118,0.431953595,1.079883988,0,0,0.216735254,-0.037722908,0.034293553,-0.031550069,-0.11042524,0.05733882,0.165980796,0,0,0.026922699,-0.06649956,-0.226142374,-0.317031624,0.232602992,0.734687544,0,0,5.55E-16,0.11,-0.290909091,-0.475,0.32,0.8,0,0,-7.10E-17,0.11,-0.290909091,-0.475,0.32,0.8,0,0,1.44E-14,0.11,-0.290909091,-0.475,0.32,0.8,0,0,9.31E-16,0.11,-0.290909091,-0.475,0.32,0.8,0,0,1.81E-15,0.11,-0.290909091,-0.475,0.32,0.8,0,0,-0.174050633,0.158227848,-0.14556962,-0.509493671,0.264556962,0.765822785,0,0,0.977767684,1.007673912,1.2804113,1.246278799,0.55488696,0.233957644,0,0,1.0625,0.8925,1.275,1.38125,0.51,0,0,0,1.0625,0.8925,1.275,1.38125,0.51,0,0,0,1.0625,0.8925,1.275,1.38125,0.51,0,0,0,1.0625,0.8925,1.275,1.38125,0.51,0,0,0,1.0625,0.8925,1.275,1.38125,0.51,0,0,0,1.264240506,0.742405063,1.100402762,1.506329114,0.581012658,0,0,0,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,25.80371302,12.63947897,17.28024625,25.77871302,3.222339127,12.63949246,-0.05,0.170468282,0.021308535,-1.415364823,180.8229575,22.60286969,4.158014734,0,11.89,12.11011416,-0.153572681,0.066679311,6.076517438,8.135706971,8,18,15,12,2,3,0,0,0,6,10.93207,3.80402576,2.90795096,2.82224519,2.2840747,1.849087084,0.762088806,0.757343017,0.083923071,1.990836888,1.414070796,1.410684643,0.967505521,0.642456651,0.240317338,0.017405256,0.083923071,3.814961154,2.937007014,2.856180768,2.337690339,1.911715578,0.884873518,0.871721925,0.270913902,1.959441359,1.331448037,1.322266262,0.878049989,0.53889727,0.072857973,0.114294004,0.270913902,3.865369425,3.075578314,3.020159645,2.558179261,2.168564572,1.399718817,1.318436933,0.943918427,1.875952483,1.105089135,1.055275398,0.599306628,0.21632519,0.507877804,0.601574622,0.943918427,3.823131875,2.959027702,2.882037162,2.376388319,1.956880895,0.976843348,0.951179337,0.399277246,1.940303412,1.281274819,1.263652779,0.820034811,0.471833165,0.04078926,0.206484562,0.399277246,3.891532095,3.148440862,3.106818782,2.657056976,2.283298423,1.619268826,1.50782532,1.207644823,1.85220322,1.038929329,0.976578969,0.504666614,0.106344136,0.722573095,0.787776827,1.207644823,3.816796135,2.99042733,2.918477145,2.443380612,1.992665874,1.07434737,1.010212234,0.52173913,1.941170267,1.220615524,1.201263501,0.746473786,0.42637853,0.152342848,0.267686842,0.52173913,0,0,0,4,2,2,0,0,0,0,0,0,0.083333333,0.166666667,0,0,0,0.027777778,0.055555556,0.471404521,0,0.166666667,0,0.288675135,0,0.083333333,0,1.138071187,1.040440115,1.138071187,0.622008468,0.455341801,0.414672312,5.983127663,3.804530453,3.239024819,2.540336414,1.501661279,1.024377395,0.333333333,0.083333333,0.747890958,0.475566307,0.323902482,0.230939674,0.150166128,0.102437739,0.083333333,0.083333333,5.309401077,2.827350269,2.084258917,1.425569669,0.662677957,0.374002823,0.111111111,0.027777778,0.663675135,0.353418784,0.208425892,0.129597243,0.066267796,0.037400282,0.027777778,0.027777778,10.70913902,17.43918427,16.62745098,16.8,11.99277246,135.3693593,0.594952168,0.96884357,0.923747277,0.933333333,0.666265136,7.52051996,1.74264,33.722,31.15378298,42.72358734,62.30756596,7.788445745,31.15378298,3.33E-16,4.16E-17,-28.51055062,41.24325189,5.155406487,2.975590007,54,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,4,0,0,0,0,0,0,0,0,2,0,0,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.09259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.661944444,0,0,0,0,1.661944444,0,0,0,0,0,0,0,0,4.240740741,0,0,0,0,8.356481481,0,0,0,0,2.736111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.368055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0,0.406597222,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,2.05787037,0,0,0,0,1.368055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.424375,0,0,0,0,0.424375,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,2.12037037,0,0,0,0,1.368055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.33333333,1.916666667,0.424375,2.12037037,0.159722222,1.368055556,4.877810185,0.298611111,0.12037037,1.194444444,0.298611111,0.12037037,1.194444444,4,0.5,0,0,0.47778,0.7,0.43333,0.43333,0.7,0.04444,0.04444,0,0,0.71429,0,0,0.25,0.25,0,10,1.25,4,0.5,6,0.75,2,0.25,0,0,4.20915,0.52614,8.47399,4.26484,0.53311,1.70742,0.21343,3.80452,2.0971,0.26214,0.10948,0.01369,0.19548,0.02444,0.333333333,8,0,0,0,0,0,0,0.25,0.99107606,2.197159723,2.419381946,2.641604168,2.641604168,2.641604168,17.83936908,39.54887502,43.54887502,47.54887502,47.54887502,47.54887502,0.237672394,0.526906293,0.580197952,0.633489611,0.633489611,0.633489611,3.178848942,1.972765278,1.750543056,1.528320834,1.528320834,1.528320834,0.225638533,0.500227901,0.550821289,0.601414678,0.601414678,0.601414678,6.714395846,15.2580338,17.92470047,18.14866158,18.14866158,18.14866158,29.66949396,25.1248139,22.0050139,21.48504723,21.48504723,21.48504723,6.125,2.52,1.487603306,0,6,0,2.34,0.9982,0.333333333,2.746356192,2.828427125,0,3.965406457,4.298279727,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,3.896,10,11,10,10,4,1,0,0,0,62,2.48490665,3.020424886,3.457892725,3.803880847,4.201890189,3.446011397,2.151035195,0,0,0,5.384064924,3.498487903,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,1.5,1.111111111,0.375,0.222222222,0,0,0,0,0,0,0.1875,0.111111111,0.046875,0.111111111,0,0,0,0,0,0,0.456597222,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,0,115.7585009,4,3.610917913,4.369447852,5.153291594,5.932245187,6.717804695,7.501634458,8.287276756,9.072341874,9.857914707,76.50287504,2.833213344,0,4.043051268,0,5.476463552,0,7.00033446,0,8.555836815,8.796490207,106.0782503,5.893236129,15.53340973,1.941676217,0,0,0,60,8,2.866,36,1.231350208,2.153884046,3.046647115,3.822580672,4.468708192,5.750098393,0,0,0,0,96.27497539,127.0224938,137.5267254,68.86344329,18.82367219,5.842467974,0,0,0,0,331.391896,461.8651935,571.838864,448.4080984,246.6335433,178.7345889,0,0,0,0,9.024660361,15.52054232,21.92590697,27.00948005,30.53690935,38.63182905,0,0,0,0,2.402651941,3.484881805,4.550666162,4.149925192,2.848304721,2.55656795,0,0,0,0,172.3376467,320.5194899,453.0536842,602.8301581,785.3968383,1063.294694,0,0,0,0,3.392950518,5.025400425,7.009036361,7.297529309,5.756522435,5.750098393,0,0,0,0,0.494081992,0.722836451,0.952155061,0.890312262,0.634798959,0.588810075,0,0,0,0,233.8521723,96.85195566,9.952212092,103.1515768,-42.72114236,-5.322744102,130.7005955,139.573098,15.27495619,0.69391564,0.28739133,0.029531458,0.30608436,-0.126767558,-0.015794317,78.80905877,32.63947216,3.353932786,34.7624681,-14.39718514,-1.793784718,0.149769187,0.148478697,3.866505788,2.568200138,337.003749,0,1,0,604.8962865,24.59463938,8.457207237,702.6158965,26.50690281,8.890086578,994.7851316,31.54021451,9.982586801,1.272637786,1.208406765,365.9172357,225.2800829,147.3796166,1.624276905,2.482821194,1.528570151,3.690318969,3.785524729,5.780049759,0.52688205,3.1157585,2.872001084,5.182997632,7.584438973,0.23099269,4.432855542,4.835012059,5.207544078,0.321704875,1.319846809,0.017083217,3.52E-23,2.37E-65,3.37E-129,9.38E-215,5.04E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.261593628,2.871879065,0.268061334,3.709885671,0.039745246,0.306369819,0.448259713,0.34234365,0.002314075,0.012800904,1.20E-04,2.48E-25,1.67E-67,2.37E-131,6.61E-217,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844189527,2.871887516,0.974676375,4.179904137,0.072969214,0.853966727,1.340751044,1.166907941,0.023735362,0.105874606,0.001253811,2.58E-24,1.74E-66,2.47E-130,6.88E-216,3.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.941028572,2.871987793,4.777171508,7.233731792,0.217227959,4.075977539,4.565418734,4.850080781,0.286666497,1.178373224,0.015220839,3.13E-23,2.11E-65,3.00E-129,8.36E-215,4.5E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.244123348,2.871898203,1.547820513,4.597827192,0.097502638,1.317379387,1.954290819,1.782984584,0.051437568,0.221348512,0.002723446,5.61E-24,3.78E-66,5.37E-130,1.50E-215,7.9E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.762704777,2.872056906,6.804737465,9.011831666,0.284292518,5.872590722,5.834375055,6.59876291,0.469018846,1.913439817,0.024914267,5.13E-23,3.45E-65,4.91E-129,1.37E-214,7.36E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.696340176,2.687981827,2.093977049,5.021848526,0.11495975,1.849305557,2.648011178,2.498820822,0.087742789,0.371688456,0.004650252,9.57E-24,6.45E-66,9.17E-130,2.55E-215,1.4E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.189333731,2.312523021,0.185824622,0.560744093,0.406584488,0.567887108,0.576490819,0.222242366,5.687681374,8.397788127,15.45600184,0.450992871,1.366620294,2.174190113,1.357503556,0.03175933,0.610135763,0.380951722,0.263924691,0.19870254,0.006491786,3.563452998,3.063635033,6.720824766,0.486631227,0.469119017,2.522466012,1.685168187,0.084617385,0.587678975,0.39260704,0.355244006,0.30618113,0.046082949,4.292251584,4.606818479,9.258759906,0.470429022,0.707508085,3.157833141,2.282890186,0.181044034,0.561715371,0.406080515,0.556725378,0.561815958,0.210954504,5.621767362,8.193996788,15.12090811,0.45169383,1.32949584,2.69868287,1.850949731,0.111361406,0.578992993,0.397114806,0.406607845,0.369372019,0.079816056,4.660994007,5.501779818,10.71903812,0.464161698,0.85579592,3.290645691,2.407827094,0.201199847,0.557767506,0.408128933,0.60453645,0.624969086,0.260540678,5.899672633,9.069837708,16.56367827,0.448844658,1.490046215,3.160475876,2.282685646,0.180717711,0.56197435,0.405891654,0.557657991,0.561717816,0.210194723,5.623879233,8.198048609,15.1256928,0.451799006,1.329570529 +UMLMON0020,L,O-Xylene,CC1=CC=CC=C1C,7237,,"Sandia, UML",[9],C8H10,PubChem,,100,0,2.7426,7.52185476,43.8018,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1921.920348,1782.655738,965.585044,360.330937,84.835296,9.144576,0,4184.657049,5188.491512,7083.005766,7478.87802,5654.991392,2943.145141,1061.424631,279.7536999,0,148.486212,153.276228,257.716848,281.41732,338.148688,269.228836,123.32736,60.466176,0,30.43545486,38.46263172,54.17148079,59.51285358,51.45544137,30.38709287,12.01662072,4.001516144,0,3360.161029,2978.619777,5482.629357,5740.292549,7657.90588,6644.943464,3137.747111,1664.258868,0,44.33333333,54.11111111,77.44444444,90.44444444,87.33333333,56,24,9,0,62.40808843,68.74581643,53.38667633,45.70912149,20.11635508,9.239254795,4.713072,1.016064,0,199.2693833,247.0710244,196.7501602,191.7661031,117.8123207,75.46526003,58.96803508,31.08374443,0,7.070772,7.298868,7.158801333,7.215828718,7.044764333,6.903303487,6.85152,6.718464,0,1.449307374,1.831553891,1.504763355,1.525970605,1.071988362,0.779156227,0.66759004,0.444612905,0,160.0076681,141.839037,152.2952599,147.1869884,159.5397058,170.3831657,174.3192839,184.917652,0,2.111111111,2.576719577,2.151234568,2.319088319,1.819444444,1.435897436,1.333333333,1,0,0.040146768,0.001937395,0.00499964,-0.029010089,-0.021443503,0.0110004,0.005508478,0.006934296,0,622.6251891,3.91E-13,229.7783436,-412.6127246,-471.9103616,54.35616731,88.94645559,200.1295251,0,1157.798126,-1.14E-13,427.2826418,-767.2709805,-877.5374687,101.0776142,165.3997323,372.1493977,0,0.121968,1.86E-15,0.045012,-0.080828,-0.092444,0.010648,0.017424,0.039204,0,5.175896322,9.60E-15,1.910152214,-3.430058277,-3.923000784,0.451863965,0.73941376,1.663680961,0,28.11555097,4.22E-14,10.37597714,-18.632131,-21.30980252,2.454532227,4.016507281,9.037141383,0,4.285714286,-1.126984127,2.47845805,-2.276643991,-3.414965986,0.56462585,0.326530612,1.306122449,0,0.001911751,9.23E-05,1.39E-04,-7.44E-04,-4.47E-04,2.82E-04,3.06E-04,7.70E-04,0,29.64881853,1.86E-14,6.382731767,-10.57981345,-9.831465867,1.39374788,4.941469755,22.2366139,0,55.13324411,-5.41E-15,11.86896227,-19.67361488,-18.2820306,2.591733697,9.188874018,41.34993308,0,0.005808,8.88E-17,0.001250333,-0.002072513,-0.001925917,2.73E-04,9.68E-04,0.004356,0,0.246471253,4.57E-16,0.053059784,-0.087950212,-0.081729183,0.011586256,0.041078542,0.18485344,0,1.33883576,2.01E-15,0.288221587,-0.477746949,-0.443954219,0.062936724,0.223139293,1.00412682,0,0.204081633,-0.053665911,0.068846057,-0.058375487,-0.071145125,0.014477586,0.01814059,0.145124717,0,0.0482578,0.072644874,-0.389092774,-0.233680895,0.14754095,0.160076587,0.403021805,0,6.28E-16,0.215277778,-0.356837607,-0.331597222,0.047008547,0.166666667,0.75,0,-9.82E-17,0.215277778,-0.356837607,-0.331597222,0.047008547,0.166666667,0.75,0,1.53E-14,0.215277778,-0.356837607,-0.331597222,0.047008547,0.166666667,0.75,0,1.86E-15,0.215277778,-0.356837607,-0.331597222,0.047008547,0.166666667,0.75,0,1.50E-15,0.215277778,-0.356837607,-0.331597222,0.047008547,0.166666667,0.75,0,-0.262962963,0.337345679,-0.286039886,-0.348611111,0.070940171,0.088888889,0.711111111,0,0.99910729,0.914416065,1.535210358,1.278402195,0.697669819,0.425229786,1.66E-08,0,1.111111111,0.810185185,1.396011396,1.255787037,0.797720798,0.648148148,0,0,1.111111111,0.810185185,1.396011396,1.255787037,0.797720798,0.648148148,0,0,1.111111111,0.810185185,1.396011396,1.255787037,0.797720798,0.648148148,0,0,1.111111111,0.810185185,1.396011396,1.255787037,0.797720798,0.648148148,0,0,1.111111111,0.810185185,1.396011396,1.255787037,0.797720798,0.648148148,0,0,1.419753086,0.547325103,1.362773029,1.328703704,0.757834758,0.777777778,0,0,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,1.24E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,1.24E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,1.24E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,1.24E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,1.24E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,1.24E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,32.38658668,16.15996001,22.53098671,32.33569689,3.59285521,16.15996041,-0.066666667,0.027970247,0.003107805,-3.218952539,47.3101853,5.256687255,3.471053046,0,11.85,12.15009716,-0.20845674,0.091650207,6.003955088,8.444013817,9,21,18,15,3,3,0,0,0,6,13.118484,3.833589318,3.056199074,2.831353951,2.417531953,2.136657421,1.730798785,0.76152284,0.330767393,2.008386927,1.532771074,1.41393354,1.195172722,0.897448804,0.526978276,0.020190969,0.083923071,3.843579971,3.083097614,2.86448923,2.476130793,2.198065434,1.792413519,0.873268248,0.456529511,1.978376491,1.455937329,1.322713195,1.094263321,0.801768394,0.417858969,0.10882679,0.270913902,3.889998998,3.21242987,3.024775228,2.724355126,2.448862671,2.044692629,1.326296579,0.95686777,1.89982516,1.240191848,1.059204514,0.771773068,0.495133778,0.091785634,0.593145692,0.943918427,3.851062547,3.103536082,2.889733747,2.518859121,2.242317085,1.83679047,0.954147239,0.547444914,1.960207534,1.407658425,1.264613753,1.027756549,0.739035505,0.348439505,0.199483539,0.399277246,3.914343526,3.281118172,3.109835287,2.838709742,2.559713213,2.158140105,1.516634173,1.207644823,1.877814409,1.17806021,0.982111373,0.663101833,0.388360527,0.016486101,0.780989778,1.159347194,3.838427226,3.11384971,2.939269672,2.601631839,2.318332939,1.869086755,1.026739527,0.613605714,1.964267489,1.365753417,1.19039519,0.933165298,0.658300466,0.301207513,0.268616579,0.529411765,0,0,0,3,3,3,0,0,0,0,0,0,0.068041382,0.204124145,0,0,0,0.024056261,0.072168784,0.760079655,0,0.166666667,0,0.455341801,0,0.083333333,0,1.478278096,1.558028605,2.075933094,0.790402296,0.711787657,0.838514819,6.853371151,4.198377303,3.872792013,2.860366219,1.816762979,1.33160016,0.504473335,0.068041382,0.761485683,0.466486367,0.322732668,0.220028171,0.139750998,0.095114297,0.072067619,0.068041382,6.232050808,3.238033872,2.58771324,1.662410764,0.891346035,0.562731396,0.186004234,0.024056261,0.69245009,0.359781541,0.21564277,0.127877751,0.06856508,0.0401951,0.026572033,0.024056261,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,1.77066,37.362,36.24670713,48.23696276,72.49341426,8.054823807,36.24670713,0.034470015,0.003830002,-3.030898907,80.37277837,8.930308707,3.948007987,67,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.60759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.166388889,0,0,0,0,1.166388889,0,0,0,0,0,0,0,0,6.392407407,0,0,0,0,6.502314815,0,0,0,0,4.105277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.345462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.378819444,0,0,0,0,0.378819444,0,0,0,0,0,0,0,0,2.1175,0,0,0,0,2.141203704,0,0,0,0,1.345462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.203703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0,0,0,0,0.396597222,0,0,0,0,0,0,0,0,2.141203704,0,0,0,0,2.203703704,0,0,0,0,1.384259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17,1.888888889,0.396597222,2.203703704,0.144097222,1.345462963,5.526767685,0.321203704,0.203703704,1.789444444,0.321203704,0.203703704,1.789444444,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.33333,0.33333,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.74382,0.6382,10.41343,4.66961,0.51885,2.06066,0.22896,4.19836,2.1377,0.23752,0.21564,0.02396,0.30164,0.03352,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.128085279,2.390455517,2.843301946,3.236857303,3.522571589,20.68979086,44.68979086,50.19956586,59.70934087,67.97400337,73.97400337,0.224307135,0.484501705,0.544235602,0.647335261,0.736936107,0.80198475,3.407089287,2.264232144,2.001861906,1.549015477,1.155460119,0.869745834,0.214882485,0.464144533,0.521368608,0.620136358,0.70597247,0.768287982,6.75154531,15.36999611,18.51843897,22.51058634,21.86034747,22.14829748,33.82580122,27.57483228,23.40077103,18.23182491,18.95755632,18.26553782,7.111111111,2.722222222,1.704142012,0,6,0,2.45,1.1391,0.766309432,3.479380736,4.441492163,0,1.650963624,5.853800636,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.1,0.505,0.68,4.372,12,13,13,14,7,1,0,0,0,78,2.564949357,3.157000421,3.590439381,3.986666548,4.427089623,3.944006051,2.151035195,0,0,0,5.611415875,3.493990385,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,5,0.666666667,2.5,1.333333333,0.5625,0.413333333,0,0,0,0,0,0,0.277777778,0.111111111,0.05625,0.103333333,0,0,0,0,0,0,0.548472222,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,0,133.0544855,4.169925001,3.761200116,4.532599493,5.351858133,6.146329258,6.963189986,7.764296006,8.579416535,9.382695764,10.19694044,80.67852573,2.944438979,0,4.204692619,0,5.666426688,0,7.217443432,0,8.806723555,9.038602609,120.0939004,5.718757161,17.38201719,1.931335244,0,0,0,84,10,3.258,42,1.233300178,2.143608143,3.065976102,3.792069948,4.631604102,5.883400279,6.552566751,0,0,0,94.09564805,126.607284,148.7991516,84.81547788,48.19408984,28.60812362,6.657827183,0,0,0,326.4685465,454.7269372,609.1090586,476.9160855,371.8126972,353.564087,203.6783102,0,0,0,9.031490446,15.41321615,22.1571405,26.80595817,32.05154208,40.34187849,44.02318382,0,0,0,2.376896686,3.421440939,4.796870299,4.266804385,3.765674569,3.980728577,2.913355737,0,0,0,173.0750978,321.7093214,449.068676,598.0455883,783.1178895,1023.069585,1211.685258,0,0,0,3.27231619,4.830695192,7.247086387,7.148033429,6.870405352,7.923808126,6.552566751,0,0,0,0.489174207,0.70955305,1.00146107,0.911091454,0.822064925,0.883220308,0.670982835,0,0,0,286.7017456,125.0549918,10.16448182,105.4158797,-45.98082212,-5.029564369,181.2858659,171.0358139,15.19404619,0.731162608,0.318922139,0.025922022,0.268837392,-0.117262829,-0.012826673,112.4208076,49.03626639,3.985672473,41.33542441,-18.02989078,-1.972180837,0.142807103,0.134284561,2.742173126,1.461181649,392.1176253,0,1,0,669.1530565,25.8679929,8.746651482,786.0344264,28.03630551,9.22884154,1145.15277,33.84010594,10.46215482,1.505113381,1.505113381,524.3757495,373.1769387,161.3126645,1.405166545,3.250679363,2.313376571,4.066590112,4.288153178,6.664765497,0.554227478,3.591901278,3.871162657,5.313765476,9.312772647,0.353180733,5.570287741,6.982724887,7.502513732,2.03066848,4.9821562,2.215501965,2.185137681,2.73E-05,7.61E-31,4.94E-78,6.44E-147,1.67E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,0.301552992,3.870979963,0.284910775,5.68126717,0.073074894,0.364456579,0.664797188,0.501953851,0.999313971,0.154213265,0.127311145,0.015390727,1.93E-07,5.36E-33,3.48E-80,4.54E-149,1.17E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0.973183225,3.870992572,1.025197217,6.267727015,0.127630286,0.980862862,1.953304168,1.703826651,1.159402949,0.602454007,0.449552859,0.160378346,2.01E-06,5.58E-32,3.62E-79,4.73E-148,1.22E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390468513,3.871142741,4.904650973,9.035688597,0.33510592,5.093734458,6.595550809,6.993607299,1.94968836,4.496533389,2.050871762,1.946918764,2.44E-05,6.78E-31,4.40E-78,5.74E-147,1.48E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,1.434236324,3.871008556,1.618362329,6.716278967,0.165858838,1.536496874,2.838155404,2.596302586,1.284273456,1.069676486,0.701642204,0.348361663,4.36E-06,1.21E-31,7.87E-79,1.03E-147,2.65E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.337716138,3.871246314,6.943495949,10.40087272,0.42115609,7.513983717,8.416704801,9.477982019,2.350758909,6.995997296,2.866828805,3.186815911,3.99E-05,1.11E-30,7.20E-78,9.39E-147,2.43E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,2.013498659,3.61819004,2.147023201,7.480305617,0.210014946,2.256941076,3.858667627,3.652083108,1.55922037,1.712177452,1.028112882,0.612445708,7.66E-06,2.13E-31,1.38E-78,1.81E-147,4.67E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.772263901,2.162641999,0.238916037,0.665233113,0.301463016,0.576716135,0.509850776,0.285726465,7.173821937,11.97755858,21.61716086,0.49784967,1.372293375,3.073718742,1.308343756,0.042080352,0.694760284,0.29572819,0.24028369,0.188008053,0.008863758,4.42414285,4.205879457,8.799247632,0.542140426,0.437155501,3.667884933,1.607403796,0.110952113,0.680973065,0.298427761,0.341476762,0.282881992,0.061621273,5.386240842,6.481076596,12.52146582,0.521459597,0.685980027,4.721057359,2.136909651,0.232983704,0.665786232,0.301357284,0.564453132,0.497873027,0.271713329,7.090950714,11.68626759,21.12766812,0.498679348,1.334039487,3.963911904,1.756298293,0.145257555,0.67580491,0.299430219,0.398517007,0.337266739,0.105617794,5.865467752,7.792715459,14.66943896,0.513707364,0.841401541,4.936321293,2.245078083,0.257921787,0.663544588,0.301785342,0.616892616,0.549177119,0.332993654,7.439321164,12.93466611,23.23238659,0.495316881,1.499063389,4.722938311,2.138393595,0.232683581,0.665763744,0.301436274,0.564920685,0.49859592,0.27101375,7.094015488,11.69602031,21.14002387,0.498645616,1.334530356 +UMLMON0021,L,"1,2,4-trimethylbenzene",CC1=CC(=C(C=C1)C)C,7247,Co-optima vals measured by NREL,Sandia,,C9H12,PubChem,,104.4,0,-0.34,0.1156,26.1559,19.895102,0,0,20,6,14,0,6,0,0,0,0,0,0,0,0,0,879.809622,890.819837,974.639069,862.717636,432.973465,103.124448,9.144576,0,0,2976.273833,3723.897138,4754.238025,4808.864311,3631.564839,1620.932031,279.7536999,0,0,139.301592,137.349428,253.958324,314.400784,311.934628,244.259712,60.466176,0,0,22.95798067,29.53412034,41.10612815,44.10122001,37.06835873,20.01965301,4.001516144,0,0,3349.613265,2777.687448,5730.516907,7389.308863,7563.67875,6466.264847,1664.258868,0,0,32.27777778,38,55.91666667,68,67,42,9,0,0,43.9904811,46.88525458,27.07330747,19.17150302,9.621632556,2.864568,1.016064,0,0,148.8136916,195.9945862,132.0621674,106.8636514,80.70144088,45.02588975,31.08374443,0,0,6.9650796,7.228917263,7.054397889,6.986684089,6.931880622,6.784992,6.718464,0,0,1.147899033,1.554427386,1.141836893,0.980027111,0.823741305,0.556101472,0.444612905,0,0,167.4806632,146.1940762,159.1810252,164.2068636,168.08175,179.618468,184.917652,0,0,1.613888889,2,1.553240741,1.511111111,1.488888889,1.166666667,1,0,0,0.028302395,-0.005876358,-0.005542894,-0.002011666,-0.013336366,0.007886446,0.00472964,0,0,508.4772378,-59.32234441,-92.01016684,-115.0127085,-260.2919194,174.335053,98.06346729,0,0,945.5351364,-110.3124326,-171.0968342,-213.8710428,-484.0239389,324.1834754,182.3532049,0,0,0.0996072,-0.01162084,-0.01802416,-0.0225302,-0.0509894,0.03415104,0.01920996,0,0,4.226981996,-0.4931479,-0.764882456,-0.956103071,-2.163812212,1.44925097,0.815203671,0,0,22.96103329,-2.678787217,-4.154853643,-5.193567054,-11.75386228,7.872354271,4.428199278,0,0,2.672222222,-1.196944444,-0.293333333,0.779166667,-1.4375,0.39,0.4225,0,0,0.00141512,-3.09E-04,-1.54E-04,-4.47E-05,-2.96E-04,2.19E-04,5.26E-04,0,0,25.42386189,-3.122228653,-2.555837968,-2.555837968,-5.784264874,4.84264036,10.89594081,0,0,47.27675682,-5.805917504,-4.752689839,-4.752689839,-10.75608753,9.005096538,20.26146721,0,0,0.00498036,-6.12E-04,-5.01E-04,-5.01E-04,-0.001133098,9.49E-04,0.00213444,0,0,0.2113491,-0.025955153,-0.021246735,-0.021246735,-0.048084716,0.040256971,0.090578186,0,0,1.148051665,-0.140988801,-0.115412601,-0.115412601,-0.26119694,0.218676508,0.492022142,0,0,0.133611111,-0.062997076,-0.008148148,0.017314815,-0.031944444,0.010833333,0.046944444,0,0,-0.218555365,-0.108802996,-0.031590041,-0.209426572,0.154805238,0.371357645,0,0,-0.122807018,-0.100529101,-0.100529101,-0.227513228,0.19047619,0.428571429,0,0,-0.122807018,-0.100529101,-0.100529101,-0.227513228,0.19047619,0.428571429,0,0,-0.122807018,-0.100529101,-0.100529101,-0.227513228,0.19047619,0.428571429,0,0,-0.122807018,-0.100529101,-0.100529101,-0.227513228,0.19047619,0.428571429,0,0,-0.122807018,-0.100529101,-0.100529101,-0.227513228,0.19047619,0.428571429,0,0,-0.471495787,-0.060984061,0.12959113,-0.239085239,0.081081081,0.351351351,0,0,1.761041552,1.160403025,1.021013286,1.182765148,0.433213113,0,0,0,1.666666667,1.256613757,1.105820106,1.105820106,0.376984127,0,0,0,1.666666667,1.256613757,1.105820106,1.105820106,0.376984127,0,0,0,1.666666667,1.256613757,1.105820106,1.105820106,0.376984127,0,0,0,1.666666667,1.256613757,1.105820106,1.105820106,0.376984127,0,0,0,1.666666667,1.256613757,1.105820106,1.105820106,0.376984127,0,0,0,2.079002079,0.905232155,0.763686764,1.382536383,0.592515593,0,0,0,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,27.13010824,13.47940597,20.52288097,27.01591071,4.502651784,13.47940898,-0.171296296,1.11E-16,1.85E-17,-22.04208034,3000004.079,500000.6798,8.948474524,0,11.89,12.11007471,-0.169151346,0.051247007,5.275584961,7.642003616,5,19,19,19,5,0,0,0,0,0,15.304898,3.486065375,2.902564078,2.602098481,1.907478409,1.598026915,0.940486379,0.083923071,0.083923071,1.905678496,1.563026335,1.389675774,0.941666099,0.769718516,0.363415993,0.083923071,0.083923071,3.514277282,2.950308951,2.661111007,1.990406516,1.695309721,1.066897176,0.270913902,0.270913902,1.844273097,1.473453684,1.286630053,0.814742336,0.630337185,0.203390889,0.270913902,0.270913902,3.638598169,3.155598408,2.911455076,2.332376476,2.090117344,1.562551549,0.943918427,0.943918427,1.663447912,1.195492746,0.959389692,0.395958779,0.162386152,0.34948882,0.943918427,0.943918427,3.535079059,2.985267979,2.704149439,2.050359443,1.765276817,1.15673493,0.399277246,0.399277246,1.805143103,1.415133181,1.218928543,0.730150495,0.536857124,0.094991748,0.399277246,0.399277246,3.699226781,3.252217518,3.027125582,2.484784209,2.26277616,1.771444199,1.207644823,1.207644823,1.607068379,1.104407163,0.849593123,0.249417906,0.004703131,0.554077929,1.207644823,1.207644823,3.51547682,3.076003138,2.8440656,2.151382767,1.849830724,1.241348526,0.580645161,0.580645161,1.810447978,1.311901715,1.069691066,0.603837508,0.42038376,0.02202542,0.580645161,0.580645161,0,0,0,0,0,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.577350269,0.288675135,0,0.577350269,0.288675135,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,9.792794627,19.21485798,18.07843137,18.32,11.58988144,154.455091,0.489639731,0.960742899,0.903921569,0.916,0.579494072,7.722754551,2.4425,29.746,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,6.738425926,0,2.659722222,0,0,0,0.935185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.230324074,0,1.329861111,0,0,0,0.935185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.277777778,0,1.329861111,0,0,0,0.935185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.33333333,1.722222222,0.2,2.277777778,0.2,0.935185185,4.590439815,0.398148148,0.277777778,1.476851852,0.398148148,0.277777778,1.476851852,3,0.5,0,0,0.42,0.7,0.42,0.42,0.7,0,0,0,0,0.71429,0,0,0.5,0.16667,0,2.5,0.41667,2.5,0.41667,0,0,-2.5,-0.41667,0,0,5.73058,0.9551,5.73058,0,0,2.80805,0.46801,2.80805,0,0,0.10595,0.01766,0.10595,0.01766,0,5,0,0,0,0,0,0,1,0.881290899,1.319035274,2.295461844,2.70869497,2.492598565,1.728212946,17.62581798,26.38070549,45.90923688,54.17389939,49.8519713,34.56425892,0.203911514,0.305196025,0.53111986,0.626733002,0.576733002,0.399870823,3.440637196,3.002892821,2.026466251,1.613233125,1.82932953,2.593715149,0.207463733,0.310512661,0.540372178,0.637650939,0.58677992,0.406836732,6.616095946,11.86902845,14.36720586,14.78367255,12.19051569,5.393257752,23.80204551,17.71551634,17.30503569,16.99759575,15.70101732,10.20202878,6,3.2,3,6,0,5,2.12,0.954,0.908560296,3.301927249,1.889881575,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,2.54,5,4,1,0,0,0,0,0,0,21,1.791759469,1.791759469,1.609437912,0.693147181,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,0,112.3323665,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,86.10955045,4.305477522,10.6758508,1.779308466,0,0,0,31,4,3.693,20,1.220894737,2.103173734,2.865487861,3.505459879,4.175001234,5.71185753,0,0,0,0,67.74862772,64.92246437,61.68420186,39.37951263,14.13966644,5.803612809,0,0,0,0,263.8372191,301.2768942,325.9848541,303.0664721,204.4262542,177.5459197,0,0,0,0,8.859366903,14.89288075,20.06705195,24.36139425,28.40581187,38.37490919,0,0,0,0,2.030985313,2.547295132,2.930414499,3.022981823,2.453211893,2.539565568,0,0,0,0,176.3944505,330.6965185,467.1383628,584.5081841,743.6575655,1056.223283,0,0,0,0,2.499333333,3.376314166,4.439815548,5.353172263,5.067398364,5.71185753,0,0,0,0,0.422269342,0.539354181,0.627509756,0.657744497,0.550313972,0.584894211,0,0,0,0,348.2452839,119.178022,8.411708706,145.4814617,-49.7873012,-8.519307768,202.7638222,168.9653232,16.93101647,0.705340124,0.241384578,0.017037174,0.294659876,-0.10083979,-0.017255107,171.9380106,58.84137694,4.153085563,71.82808859,-24.58132219,-4.206210098,0.086550298,0.18974905,1.614066694,11.06347011,493.7267455,0,1,0,310.4078457,17.6183951,6.770866172,446.0263509,21.11933595,7.640471717,486.0997239,22.04766935,7.862761904,1.600376192,1.20582466,297.9980032,257.2067684,72.90961007,1.158593163,4.087225305,3.527748511,3.598661447,3.220194404,6.42424645,0.994987148,3.904607748,4.742643365,2.180766641,19.83544936,6.276698098,5.017174461,5.31761643,8.391284527,2.81392746,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,4.742376508,0.139452035,5.476519534,1.035145025,0.16594251,0.46275533,0.333437286,0.949016922,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,4.742394891,0.478874121,7.179925155,1.393915343,0.703734255,1.284689051,1.32069706,1.0750388,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,4.742614261,2.028469008,18.52213658,5.704235347,4.56012436,4.960602108,7.665380581,2.609673611,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,4.742418226,0.734814978,8.713747116,1.851352821,1.207252641,1.899114317,2.193650838,1.237158573,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,4.742765618,2.77568718,25.19113572,8.681918633,6.891162689,6.707381819,11.34308938,3.672472691,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.382118359,4.050602643,1.030788426,11.15558879,3.130429896,2.263552644,3.019410176,3.4308531,1.898104156,1.609735553,0.054807146,0.379869114,2.71E-15,3.72E-51,9.85E-109,5.04E-188,4.96E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.530987441,1.130475171,0.585893788,0.672907874,0.215437086,0.502955739,0.441794109,0.476528345,5.247356401,6.722815623,14.30888053,0.509361811,1.421278192,2.800335673,0.662709071,0.186421833,0.767327393,0.181590667,0.316342548,0.151864066,0.048341475,3.649466577,2.501395002,6.496824681,0.650991089,0.516548089,3.104930242,0.85771042,0.35295523,0.719467327,0.198746695,0.388902842,0.254354483,0.173130621,4.315595892,4.06176577,9.317327685,0.579200991,0.816387946,3.514285046,1.119782124,0.576762135,0.674419529,0.214895184,0.498208796,0.433478008,0.461808737,5.210829306,6.607988051,14.08851108,0.511629294,1.393495541,3.234374,0.940580857,0.423726457,0.703326406,0.204532733,0.422005291,0.305865677,0.24943162,4.598681315,4.811229101,10.69896692,0.554989609,0.977302588,3.582861247,1.16368535,0.61425458,0.668344363,0.217073029,0.517842155,0.468125647,0.523712993,5.360801177,7.084911129,15.00673814,0.502516544,1.509680795,3.525773615,1.121449447,0.57737462,0.674841171,0.214648001,0.501471515,0.434727232,0.46240831,5.224597682,6.63716552,14.14468909,0.512261756,1.398607057 +UMLMON0022,L,3-Methylpentane,CCC(C)CC,7282,,"Sandia, UML",[1],C6H14,PubChem,,74.3,0,-0.0916,0.00839056,26.2418,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,890.291353,994.748085,870.627836,366.161209,84.835296,9.144576,0,0,2644.81273,3144.163273,3730.992294,3300.918427,2187.299827,1061.424631,279.7536999,0,0,118.238936,111.372268,196.083876,224.83136,162.4177,123.32736,60.466176,0,0,19.03383305,23.6303831,30.19190358,26.8663499,18.91140264,12.01662072,4.001516144,0,0,2668.599586,2191.74623,4310.126609,5051.249777,3508.796101,3137.747111,1664.258868,0,0,74.27777778,40.66666667,61.58333333,90,67,24,9,0,0,61.71557788,59.35275687,36.84252167,29.02092787,17.43624805,4.713072,1.016064,0,0,165.3007956,209.6108849,138.1848998,110.0306142,104.1571346,58.96803508,31.08374443,0,0,7.3899335,7.424817867,7.262365778,7.494378667,7.73417619,6.85152,6.718464,0,0,1.189614566,1.575358873,1.118218651,0.895544997,0.900542983,0.66759004,0.444612905,0,0,166.7874742,146.1164153,159.6343189,168.3749926,167.0855286,174.3192839,184.917652,0,0,4.642361111,2.711111111,2.280864198,3,3.19047619,1.333333333,1,0,0,0.121814595,-0.04685184,-0.00114821,0.022286212,-0.041555333,0.00141182,0.004950053,0,0,523.7576238,-43.92541314,19.66342755,-17.48234203,-448.16645,55.73680828,172.2951575,0,0,766.4429154,-94.95499335,-135.8422519,3.347559966,-429.21663,24.45906343,248.9857942,0,0,1.03666,-0.00156025,0.12109675,-0.2438865,-0.64215875,0.1301865,0.11799225,0,0,3.391946473,-0.464107523,-1.103534916,-0.035208955,-0.953855384,-0.072147893,0.932881435,0,0,18.82152525,-2.587911668,-6.817934048,-0.398101339,-3.739946444,-0.655669353,4.788800225,0,0,33.10416667,-0.94140625,1.126302083,-4.4453125,-18.52213542,2.9453125,3.28515625,0,0,0.007613412,-0.003123456,-4.25E-05,7.43E-04,-0.001978825,7.84E-05,5.50E-04,0,0,32.73485148,-2.928360876,0.728275094,-0.582744734,-21.34125953,3.096489349,19.14390639,0,0,47.90268221,-6.33033289,-5.031194516,0.111585332,-20.43888714,1.358836857,27.66508825,0,0,0.06479125,-1.04E-04,0.004485065,-0.00812955,-0.030578988,0.007232583,0.01311025,0,0,0.211996655,-0.030940502,-0.040871664,-0.001173632,-0.045421685,-0.004008216,0.103653493,0,0,1.176345328,-0.172527445,-0.252516076,-0.013270045,-0.178092688,-0.036426075,0.532088914,0,0,2.069010417,-0.062760417,0.041714892,-0.148177083,-0.882006448,0.163628472,0.365017361,0,0,-0.41025705,-0.005585705,0.097574349,-0.259913078,0.010302143,0.072241713,0,0,-0.089456978,0.022247698,-0.017801967,-0.651943069,0.094593047,0.584817267,0,0,-0.132149863,-0.105029495,0.002329417,-0.426675213,0.028366613,0.577526914,0,0,-0.001605412,0.06922331,-0.125472961,-0.471961694,0.111629014,0.202345996,0,0,-0.145948065,-0.192793908,-0.005536087,-0.214256612,-0.018906979,0.488939285,0,0,-0.146663943,-0.21466152,-0.011280739,-0.151394904,-0.030965461,0.452323736,0,0,-0.030333543,0.02016176,-0.071617369,-0.426293866,0.079085379,0.176421229,0,0,1.112294186,0.753907397,1.322330111,1.939287326,0.142508351,0,0,0,1.170927332,0.915782169,1.0221277,1.744973288,0.5778723,0,0,0,1.491123972,1.167254118,0.865674557,1.282342121,0.734325443,0,0,0,0.512040592,0.530805128,1.542806706,2.413046294,0.057193294,0,0,0,1.594610489,1.277272841,0.858225113,1.071227362,0.741774887,0,0,0,1.599979575,1.293653979,0.873848345,1.037403276,0.726151655,0,0,0,0.5437382,0.570589469,1.496538704,2.389643082,0.075519194,0,0,0,19.29932374,9.774661868,15.01072985,19.4659904,3.244331734,9.774820931,0.25,3.33E-16,5.55E-17,-21.38291297,3000004.229,500000.7049,8.948474554,19.30096098,9.775113281,15.01118126,19.46713803,3.244523006,9.775272238,0.249265579,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,20.7602287,10.18061711,15.41668509,20.49423238,3.415705396,10.1807103,-0.398994478,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,19.30267932,9.775587063,15.01165504,19.46834252,3.244723754,9.775745909,0.2484948,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,22.32264738,10.62017656,15.85624454,21.60111787,3.600186312,10.62023331,-1.082294264,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,19.47089839,9.822016289,15.05808427,19.58632118,3.264386864,9.8221648,0.173134186,4.44E-16,7.40E-17,-21.21030373,3000004.229,500000.7049,8.948474554,21.00213768,10.5864852,16.55441543,21.22478318,3.537463863,10.58656669,0.667936508,5.55E-16,9.25E-17,-21.07641759,3000004.121,500000.6869,8.948474532,0,11.89,15.99491589,-0.299207371,0.132157162,4.115246586,6.38851633,5,15,14,14,4,1,1,0,0,1,11.89007,3.529364191,2.902564078,2.477573932,1.598026915,1.536231436,0.083923071,0.083923071,0.083923071,1.81693578,1.563026335,1.040992466,0.769718516,0.185366199,0.083923071,0.083923071,0.083923071,3.480718849,2.950308951,2.395804565,1.695309721,1.454167953,0.270913902,0.270913902,0.270913902,1.78899117,1.473453684,0.994195658,0.630337185,0.290877631,0.270913902,0.270913902,0.270913902,3.630111587,3.155598408,2.698537678,2.090117344,1.918490877,0.943918427,0.943918427,0.943918427,1.596575217,1.195492746,0.637635093,0.162386152,0.205569803,0.943918427,0.943918427,0.943918427,3.479566225,2.985267979,2.397059765,1.765276817,1.448674341,0.399277246,0.399277246,0.399277246,1.77469341,1.415133181,0.971268459,0.536857124,0.300544449,0.399277246,0.399277246,0.399277246,3.663832748,3.252217518,2.766423375,2.26277616,2.014962604,1.207644823,1.207644823,1.207644823,1.558123915,1.104407163,0.559045449,0.004703131,0.296626356,1.207644823,1.207644823,1.207644823,4.765436337,3.182088119,3.070113665,2.092021706,1.845131773,0.576923077,0.576923077,0.576923077,1.64035426,1.31731694,0.677590926,0.424851574,0.451475947,0.576923077,0.576923077,0.576923077,0,0,0,1,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.102062073,0,0,0,0.577350269,0.288675135,0,0.204124145,0.102062073,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.322461853,2.325444489,1.245781916,0.788675135,0.25,0,0,0,0.720410309,0.465088898,0.249156383,0.197168784,0.25,0,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,1.3755,25.589,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,29,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,2,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18055556,0.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.414583333,0.802777778,0,0,0,0,0,0,0,0,0,0,3.761574074,0,1.381944444,0,0,0,0,0,0,0.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18055556,0.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305902778,0.401388889,0,0,0,0,0,0,0,0,0,0,1.880787037,0,0.690972222,0,0,0,0,0,0,0.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18055556,0.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,1.880787037,0,0.690972222,0,0,0,0,0,0,0.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.66666667,2.611111111,0.565972222,10.18055556,0.305902778,0.342592593,2.242791667,1.324074074,3.180555556,6.361111111,1.324074074,3.180555556,6.361111111,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.42,0.49792,0.82778,0.07792,0,-0.07792,0,0.57047,0.14382,0,0.47059,0.17647,0,4.25,0.70833,2.75,0.45833,1.5,0.25,-1.25,-0.20833,0,0,4.0123,0.66872,5.73058,1.71827,0.28638,2.11989,0.35332,2.80805,0.68816,0.11469,0.10595,0.01766,0.10595,0.01766,0,5.01,1,1,1,1,0,0,0.8,1.198192411,1.673794941,2.280639062,2.280639062,2.030639062,1.405639062,19.17107858,26.78071905,36.490225,36.490225,32.490225,22.490225,0.299548103,0.418448735,0.570159766,0.570159766,0.507659766,0.351409766,2.801807589,2.326205059,1.719360938,1.719360938,1.969360938,2.594360938,0.299548103,0.418448735,0.570159766,0.570159766,0.507659766,0.351409766,10.71860945,16.4258398,17.0374325,17.0374325,14.0374325,5.538703846,21.96987352,16.73794941,17.68383437,17.68383437,16.18383437,9.683834373,6,3.2,3,6,1,5,1.9,0.8288,0.25,2.309401077,1,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,2.889,5,4,1,0,0,0,0,0,0,21,1.945910149,2.079441542,1.945910149,0.693147181,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,17.07,101.1901498,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,86.07316494,5.379572809,10.6758508,1.779308466,2.382088123,2.382088123,0,31,4,0.691,20,1.2268,2.113225145,2.881069561,3.66165106,4.849506123,5.576750225,0,0,0,0,82.78024119,87.84321781,90.32024396,72.23614155,24.31059591,5.66633514,0,0,0,0,280.7281514,315.7100173,339.7025475,417.6081892,296.9364431,173.3462787,0,0,0,0,9.137724337,15.45570288,21.67110994,27.91482528,33.27883679,37.46719562,0,0,0,0,2.061570699,2.494368346,2.721343388,3.606202846,3.325208516,2.479495117,0,0,0,0,177.2249115,333.5421404,481.803957,599.2999852,841.1926885,1031.239558,0,0,0,0,3.387355556,5.102432217,8.738726104,10.81632399,6.597152447,5.576750225,0,0,0,0,0.444136,0.564185069,0.654323225,0.847186112,0.737065561,0.571059223,0,0,0,0,361.7357736,150.5273918,8.838467475,112.1228119,-46.65713392,-16.11898578,249.6129617,197.1845258,24.95745325,0.763383391,0.31766311,0.018652121,0.236616609,-0.098462147,-0.034016448,171.411602,71.32869696,4.188183695,53.13035702,-22.10888348,-7.638119799,0.317445579,0.718996088,1.916781192,28.56428822,434.1305692,39.72801619,0.916160607,0.083839393,382.2140291,19.55029486,7.257196369,479.08439,21.88799648,7.824753652,600.3702575,24.50245411,8.436061226,1.82357629,1.82357629,286.2627527,242.3215375,57.34137837,1.181334336,4.992254475,4.225945459,3.401132177,3.18658557,6.373000728,0.999946522,2.80222057,3.881220796,3.389000868,3.431434815,5.005109631,1.493272558,1.524104152,6.853571643,3.786068662,2.422102693,0.664724983,0.398625262,1.69E-17,1.38E-55,2.18E-115,6.62E-197,3.88E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,0.251664719,3.88108081,0.305159989,3.186500485,0.242732081,0.166846517,0.289850225,0.431331026,0.284882348,0.198323918,0.004681716,0.00280755,1.19E-19,9.72E-58,1.53E-117,4.66E-199,2.73E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765026468,3.88097264,0.697310007,2.81279,0.652547998,0.289097433,0.433227179,1.487169917,0.518838251,0.643473091,0.048787062,0.029256839,1.24E-18,1.01E-56,1.60E-116,4.86E-198,2.85E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650178473,3.881263869,3.752644362,3.633910491,5.090024745,1.87524555,1.410138872,6.370168763,3.401668964,2.282861489,0.592257995,0.355167932,1.51E-17,1.23E-55,1.94E-115,5.90E-197,3.46E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,1.11993283,3.88094414,0.875624881,2.700984587,0.954946801,0.286358144,0.563884848,2.287707956,0.822174651,0.951658479,0.105972009,0.063549764,2.69E-18,2.20E-56,3.47E-116,1.06E-197,6.19E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,3.384110175,3.881356617,4.65805531,3.734833751,7.195091052,2.180877781,1.989672439,8.745853301,5.402417605,2.941173488,0.969438904,0.581357482,2.46E-17,2.01E-55,3.17E-115,9.65E-197,5.66E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,1.722243656,3.545758576,5.049745747,5.311822684,5.069256512,3.477163403,0.758959888,3.27646737,1.519819616,1.590931877,0.221247236,0.132678527,5.62E-18,4.60E-56,7.24E-116,2.20E-197,1.29E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,4.234506067,0.837833893,0.415503769,0.771615643,0.152670873,0.610595333,0.514900176,0.499980711,5.487843729,5.655389071,12.61736235,0.657423464,1.62547622,2.737579057,0.636132154,0.077800227,0.793153697,0.184305388,0.255202041,0.296822176,0.017529319,3.451511438,2.003937561,5.590935143,0.689730545,0.569553536,3.496473305,0.626853801,0.21380166,0.806172354,0.144531978,0.41630212,0.288230409,0.13238094,4.337128766,3.073351762,7.879086214,0.70925853,0.83691347,4.109506912,0.854643153,0.397925649,0.766402254,0.159386625,0.57507904,0.535768183,0.458571628,5.362075714,5.487524578,12.24717961,0.649603381,1.569418852,3.821041305,0.648995121,0.280208577,0.804388258,0.136623505,0.497177407,0.308951269,0.227387279,4.750245002,3.732379708,9.177496352,0.706582388,1.033515955,4.301661354,0.8735015,0.439055472,0.76620842,0.155587376,0.630115863,0.559673213,0.558267188,5.614218326,6.029691213,13.29366383,0.64931263,1.748056264,4.110042352,0.858106769,0.397230173,0.766030159,0.159934037,0.575228932,0.540119604,0.456970088,5.365379294,5.500353897,12.26670648,0.649045238,1.572318624 +UMLMON0023,L,3-Pentanone,CCC(=O)CC,7288,"Co-optima vals are experimental, not predicted",Sandia,,C5H10O,PubChem,,99.9,0,0.0686,0.00470596,23.2621,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,1010.869782,1283.317231,646.831922,149.520672,12.192768,0,0,0,2914.106344,3917.940807,5706.410083,4650.250206,2017.711008,373.0049332,0,0,0,125.864664,130.65468,256.400764,342.025544,259.293312,80.621568,0,0,0,22.06875486,30.09593172,47.13256515,45.20468587,23.58460444,5.335354858,0,0,0,2979.777961,2598.236709,5550.680106,8054.455437,6708.919734,2219.011824,0,0,0,26.77777778,32.75,56.08333333,68.33333333,45,12,0,0,0,48.76541633,56.15943233,35.64770086,13.20065147,3.934754526,1.016064,0,0,0,161.8947969,217.6633782,158.5113912,94.90306543,53.0976581,31.08374443,0,0,0,6.992481333,7.258593333,7.122243444,6.980113143,6.823508211,6.718464,0,0,0,1.226041937,1.671996207,1.309237921,0.92254461,0.620647485,0.444612905,0,0,0,165.54322,144.3464838,154.1855585,164.3766416,176.5505193,184.917652,0,0,0,1.487654321,1.819444444,1.55787037,1.394557823,1.184210526,1,0,0,0,0.024452519,-0.001407267,-0.00588181,-0.017389551,0.005112838,0.007339531,0,0,0,484.264036,4.90E-13,-121.066009,-390.1015846,107.6142302,161.4213453,0,0,0,900.5096538,2.98E-13,-225.1274134,-725.4105544,200.1132564,300.1698846,0,0,0,0.094864,1.36E-15,-0.023716,-0.076418222,0.021080889,0.031621333,0,0,0,4.025697139,2.94E-15,-1.006424285,-3.242922696,0.894599364,1.341899046,0,0,0,21.86765075,6.53E-14,-5.466912688,-17.61560755,4.859477945,7.289216918,0,0,0,1.49382716,-0.435185185,-0.015432099,-0.714677641,0.006858711,0.411522634,0,0,0,0.001358473,-7.82E-05,-1.63E-04,-3.55E-04,1.35E-04,6.12E-04,0,0,0,26.90355756,2.72E-14,-3.362944694,-7.961256828,2.831953427,13.45177878,0,0,0,50.0283141,1.66E-14,-6.253539262,-14.80429703,5.266138326,25.01415705,0,0,0,0.005270222,7.55E-17,-6.59E-04,-0.001559556,5.55E-04,0.002635111,0,0,0,0.223649841,1.63E-16,-0.02795623,-0.066182096,0.023542089,0.111824921,0,0,0,1.214869486,3.63E-15,-0.151858686,-0.359502195,0.127880999,0.607434743,0,0,0,0.082990398,-0.024176955,-4.29E-04,-0.014585258,1.80E-04,0.034293553,0,0,0,-0.057551019,-0.120270016,-0.261240913,0.099043808,0.45023158,0,0,0,1.01E-15,-0.125,-0.295918367,0.105263158,0.5,0,0,0,3.31E-16,-0.125,-0.295918367,0.105263158,0.5,0,0,0,1.43E-14,-0.125,-0.295918367,0.105263158,0.5,0,0,0,7.31E-16,-0.125,-0.295918367,0.105263158,0.5,0,0,0,2.99E-15,-0.125,-0.295918367,0.105263158,0.5,0,0,0,-0.291322314,-0.005165289,-0.175746332,0.002174859,0.41322314,0,0,0,1.473090791,1.237401176,1.202533058,0.604472112,0.003655279,0,0,0,1.416666667,1.298611111,1.214285714,0.559210526,0,0,0,0,1.416666667,1.298611111,1.214285714,0.559210526,0,0,0,0,1.416666667,1.298611111,1.214285714,0.559210526,0,0,0,0,1.416666667,1.298611111,1.214285714,0.559210526,0,0,0,0,1.416666667,1.298611111,1.214285714,0.559210526,0,0,0,0,1.773760331,0.922004132,1.154790015,0.823564593,0,0,0,0,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,19.31946284,9.613435124,14.17999247,19.25773445,3.209622408,9.613610387,-0.092592593,0.030784955,0.005130826,-2.088437505,42.46516056,7.07752676,2.249210393,0,11.9,12.1000824,-0.151386681,0.048709419,5.658995554,7.448506275,6,18,18,18,6,0,0,0,0,0,13.118484,3.627101149,2.781418157,2.459820995,1.995857275,1.19006016,0.939129545,0.083923071,0.083923071,1.803483423,1.724171079,1.226892172,0.757863935,0.621200126,0.356238123,0.083923071,0.083923071,3.652027279,2.827185891,2.510897621,2.069299418,1.30885592,1.065160977,0.270913902,0.270913902,1.74157494,1.655976007,1.117615365,0.62194973,0.476079793,0.194747858,0.270913902,0.270913902,3.761432789,3.028373609,2.734801489,2.377097536,1.778468089,1.560463307,0.943918427,0.943918427,1.560904806,1.452583651,0.767027153,0.172849073,0.010166862,0.366071564,0.943918427,0.943918427,3.670376732,2.860960277,2.548571849,2.122681568,1.39352899,1.154824297,0.399277246,0.399277246,1.702261215,1.612285733,1.045523917,0.531260614,0.378767248,0.085181511,0.399277246,0.399277246,3.814659654,3.125134419,2.841861735,2.516843435,1.978039144,1.769475288,1.207644823,1.207644823,1.505142931,1.38842831,0.648284366,0.016182923,0.182659309,0.575234484,1.207644823,1.207644823,3.683113856,3.004731084,2.602772128,2.24669346,1.550284617,1.306777667,0.642857143,0.642857143,1.648721688,1.561175749,0.840257381,0.377595282,0.212437591,0.102957736,0.642857143,0.642857143,0,0,0,0,0,1,4,1,0,0,0,0.144337567,0.144337567,0,0,0,0.144337567,0.144337567,0,0.288675135,0,0,0,0.288675135,0,0,0,0.40824829,0.433012702,0,0.40824829,0.433012702,0,4.405777394,2.89384685,2.389628766,1.64384685,1.129936127,0.288675135,0,0,0.734296232,0.482307808,0.341375538,0.234835264,0.161419447,0.144337567,0,0,4.405777394,2.89384685,2.389628766,1.64384685,1.129936127,0.288675135,0,0,0.734296232,0.482307808,0.341375538,0.234835264,0.161419447,0.144337567,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.1965,27.632,18.09925825,25.29161865,36.19851651,6.033086084,18.09925827,0.064833572,0.010805595,-1.641559038,30.97618464,5.16269744,2.059931203,29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,1,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,2.340277778,0,5.946759259,0,0,0,1.046296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.340277778,0,1.486111111,0,0,0,1.046296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.340277778,0,1.487268519,0,0,0,1.046296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.333333333,1.555555556,0.2,2.340277778,0.2,1.046296296,4.322013889,0.287037037,0.340277778,0.680555556,0.287037037,0.340277778,0.680555556,3,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.16667,0.16667,0,3,0.5,3,0.5,0,0,-3,-0.5,0,0,5.2306,0.87177,5.2306,0,0,2.89384,0.48231,2.89384,0,0,0.02016,0.00336,0.10616,0.01769,0.277777778,6,0,0,0,0,0,0,1,0.918295834,1.335505557,2.350209029,2.683542362,2.281036113,2.169925001,16.52932501,24.03910002,42.30376252,48.30376252,41.05865003,39.05865003,0.220218789,0.320270882,0.563609424,0.643546913,0.547020896,0.520375067,3.251629167,2.834419445,1.819715972,1.486382639,1.888888889,2,0.220218789,0.320270882,0.563609424,0.643546913,0.547020896,0.520375067,6.73287657,11.73939324,15.20474235,14.31933125,11.47096983,15.02304759,23.69925001,19.03258335,16.91696043,18.0614882,21.58596668,17.3216389,4.166666667,1.632653061,0.979591837,0,0,0,2.12,0.8454,0,1.632993162,1,0,4.242640687,2.828427125,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,2.896,7,7,7,2,0,0,0,0,0,35,1.945910149,2.079441542,2.079441542,2.079441542,1.098612289,0,0,0,0,0,3.583518938,1,0.333333333,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,0,2,3,0.5,1,0.444444444,0.222222222,0,0,0,0,0,0,0,0.166666667,0.063492063,0.111111111,0,0,0,0,0,0,0,0.341269841,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,0,99.97590776,3.584962501,3.295836866,4.007333185,4.762173935,5.493061443,6.251903883,6.989335266,7.747164967,8.487764381,9.243871855,68.27844578,2.564949357,0,3.713572067,2.397895273,5.017279837,4.442651256,6.385194399,6.224558429,7.788626066,8.245646901,84.09390038,4.671883355,11.57549817,1.929249695,0,0,0,26,2,3.353,26,1.3586932,2.428984679,3.271862156,3.991625748,5.189420775,0,0,0,0,0,97.95016178,98.62149702,49.38424622,17.81665479,5.272783631,0,0,0,0,0,346.3145629,419.9486792,329.9106066,227.8648601,161.3066291,0,0,0,0,0,9.931467889,17.38122318,22.88883808,27.31285149,34.86493666,0,0,0,0,0,2.546145545,3.394988746,3.142064218,2.604688044,2.307283445,0,0,0,0,0,191.8101477,368.6273274,534.0577669,698.6730895,959.6155051,0,0,0,0,0,2.567627536,3.911829643,4.653612384,4.864094394,5.189420775,0,0,0,0,0,0.524969925,0.712688638,0.678296408,0.579466197,0.531396687,0,0,0,0,0,278.5608318,86.7152713,7.192341103,52.17331277,-16.24141823,-2.811746998,226.387519,102.9566895,10.0040881,0.842249996,0.26219026,0.021746594,0.157750004,-0.049107171,-0.008501532,92.12957842,28.67970108,2.378752782,17.25549597,-5.371591565,-0.929940738,0.095192775,0.200185818,1.764709987,1.957923523,330.7341446,0,1,0,278.2605624,16.68114392,6.52855729,394.5049954,19.86214982,7.334167691,424.0305469,20.59200201,7.512751918,1.191705026,1.076059949,286.3080235,231.5463709,101.1755765,1.236504042,2.829813612,2.288559937,3.754010772,3.828720141,6.541971623,0.708657562,3.346806641,2.544377909,1.779518247,9.595076347,8.74986651,7.112944536,6.789601352,7.741810796,1.686768364,0.524670838,0.944758256,0.838482379,7.74E-10,1.38E-40,4.74E-93,3.14E-167,4.01E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,0.28087429,2.544148414,0.721231225,3.239067057,0.714704912,1.152216656,0.334632323,0.306574633,0.072300705,0.043520549,0.006655236,0.0059055,5.45E-12,9.71E-43,3.34E-95,2.21E-169,2.83E-265,0,0,0,0,0,0,0,0,0,0,0,0,0,0.906696446,2.544164222,0.889488835,4.22006804,1.614829964,1.760641046,1.150106132,1.093093333,0.279015323,0.140826638,0.06934306,0.061539863,5.68E-11,1.01E-41,3.48E-94,2.30E-168,2.95E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,3.15911246,2.544352879,1.697834296,9.094035583,7.996164145,6.532841168,6.216798295,7.027966705,1.544477688,0.494894316,0.841763441,0.747072704,6.90E-10,1.23E-40,4.22E-93,2.80E-167,3.58E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336303737,2.544184289,1.019173738,4.987438988,2.452465662,2.358918392,1.858994045,1.850113721,0.457389984,0.207893508,0.150619377,0.133672805,1.23E-10,2.20E-41,7.55E-94,5.01E-168,6.40E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041753714,2.544483048,2.101141717,11.57729338,11.83773628,9.505140417,9.112123863,10.678548,2.262945585,0.635284194,1.377837127,1.222847749,1.13E-09,2.01E-40,6.91E-93,4.58E-167,5.85E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,2.228358503,2.437120525,1.178062917,6.53531874,4.533551727,3.674582771,3.618009523,3.815306312,1.013587673,0.336321419,0.390442391,0.346515677,3.20E-10,5.70E-41,1.96E-93,1.30E-167,1.66E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,3.218139162,1.447190077,0.756691454,0.593531332,0.26690973,0.473218493,0.399646098,0.417485904,5.422020693,8.187473826,17.13360265,0.390296997,1.290350495,2.482296311,0.927319894,0.27647492,0.673422394,0.251572699,0.280498639,0.163795514,0.056148188,3.686091125,3.244556118,7.567060092,0.510133592,0.500442342,2.774309778,1.133844984,0.467391241,0.634048819,0.259132228,0.350879392,0.245084189,0.160033705,4.375546003,4.972274531,10.81806382,0.451073229,0.755997285,3.199899226,1.434323852,0.744820889,0.594882519,0.266650331,0.467824239,0.392558481,0.40457288,5.379043968,8.04135794,16.83890022,0.392323779,1.264955599,2.904579064,1.22587839,0.552406966,0.620256921,0.261779603,0.384861349,0.286576155,0.223252422,4.68286442,5.842354175,12.49215237,0.430385381,0.894689925,3.275250023,1.487469768,0.793849553,0.589437442,0.267695709,0.490312008,0.422245372,0.459197977,5.556569345,8.652718372,18.07679207,0.384156164,1.371755357,3.211726985,1.435837568,0.747144521,0.595347579,0.266156626,0.471374451,0.393414251,0.406748224,5.394709074,8.083920654,16.92410033,0.393021368,1.271536927 +UMLMON0024,L,Methylcyclopentane,CC1CCCC1,7296,[9] has RON of 89.3; co-opt are predicted,"Sandia, UML",[1],C6H12,PubChem,,80,0,-0.7176,0.51494976,21.4511,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,1082.455342,1389.632131,596.232338,135.295776,12.192768,0,0,0,2644.81273,3446.892775,4755.848717,3546.267141,1582.538586,373.0049332,0,0,0,118.238936,121.406152,235.752484,275.48372,165.234816,80.621568,0,0,0,19.03383305,24.9697231,36.14876604,31.80430832,17.36002377,5.335354858,0,0,0,2668.599586,2345.089558,4929.104368,6250.646341,4120.072605,2219.011824,0,0,0,34.77777778,35.41666667,65.41666667,66.33333333,31,12,0,0,0,61.71557788,67.65345887,44.82684294,16.11438751,5.637324,1.016064,0,0,0,165.3007956,215.4307984,153.4144747,95.84505787,65.93910774,31.08374443,0,0,0,7.3899335,7.5878845,7.604918839,7.445505946,6.884784,6.718464,0,0,0,1.189614566,1.560607694,1.166089227,0.8595759,0.723334324,0.444612905,0,0,0,166.7874742,146.5680974,159.0033667,168.9363876,171.6696919,184.917652,0,0,0,2.173611111,2.213541667,2.110215054,1.792792793,1.291666667,1,0,0,0,0.166066451,-0.040313505,-0.022763373,-0.049256073,0.016216016,0.013083709,0,0,0,523.7576238,26.4309685,-72.68295589,-423.3849433,-21.96875788,229.7268767,0,0,0,766.4429154,-57.19330087,-170.8570671,-361.9267249,-125.2254238,331.981059,0,0,0,1.03666,0.035866,-0.19612625,-0.65370875,0.138316,0.157323,0,0,0,3.391946473,-0.591328798,-1.012917554,-0.593401353,-0.742167445,1.243841913,0,0,0,18.82152525,-3.792909478,-6.033480688,-1.68412369,-4.285315738,6.385066966,0,0,0,6.333333333,-0.583333333,0.083333333,-4.333333333,0.333333333,1.333333333,0,0,0,0.010379153,-0.002519594,-7.34E-04,-0.001331245,6.76E-04,0.001090309,0,0,0,32.73485148,1.651935531,-2.34461148,-11.44283631,-0.915364911,19.14390639,0,0,0,47.90268221,-3.574581304,-5.511518293,-9.781803377,-5.21772599,27.66508825,0,0,0,0.06479125,0.002241625,-0.006326653,-0.017667804,0.005763167,0.01311025,0,0,0,0.211996655,-0.03695805,-0.03267476,-0.016037874,-0.030923644,0.103653493,0,0,0,1.176345328,-0.237056842,-0.194628409,-0.045516856,-0.178554822,0.532088914,0,0,0,0.395833333,-0.036458333,0.002688172,-0.117117117,0.013888889,0.111111111,0,0,0,-0.242755263,-0.070747809,-0.128261448,0.065098504,0.105047981,0,0,0,0.050464122,-0.07162432,-0.349561271,-0.027963008,0.584817267,0,0,0,-0.074621736,-0.11505657,-0.20420158,-0.108923462,0.577526914,0,0,0,0.03459765,-0.097646723,-0.272688118,0.088949768,0.202345996,0,0,0,-0.174333175,-0.154128658,-0.075651545,-0.145868545,0.488939285,0,0,0,-0.201519772,-0.165451764,-0.038693448,-0.15178776,0.452323736,0,0,0,-0.092105263,0.006791171,-0.295874822,0.035087719,0.280701754,0,0,0,1.168142891,1.442604439,1.471256872,0.078869831,0.021632994,0,0,0,1.111978186,1.172310048,1.311636988,0.722340375,0,0,0,0,1.418997242,1.177601433,1.047584768,0.917906804,0,0,0,0,0.852838684,1.449910164,1.613285599,0.071491617,0,0,0,0,1.599066754,1.241898906,0.909805926,0.927218609,0,0,0,0,1.638427349,1.268474708,0.883186401,0.907689569,0,0,0,0,1.019736842,1.264855688,1.566500711,0.271381579,0,0,0,0,16.01699491,8.133497453,11.88465401,16.18366157,2.697276929,8.134370591,0.25,0.055117943,0.009186324,-1.738967983,44.3564553,7.392742549,2.275354951,16.02168512,8.13547535,11.88765305,16.18786217,2.697977029,8.136346484,0.249265579,0.055156143,0.00919269,-1.738552295,44.49274278,7.415457129,2.277195655,20.34592842,9.97346697,14.99135977,20.0799321,3.34665535,9.973590444,-0.398994478,0.021451743,0.003575291,-2.305169623,36.16622678,6.027704464,2.152875433,16.02660813,8.137551465,11.89080232,16.19227133,2.698711888,8.138420501,0.2484948,0.055195872,0.009199312,-1.73812027,44.63769084,7.439615139,2.279147153,25.49126936,12.05574402,18.78311743,25.13050461,4.188417435,12.05576111,-1.082294264,0.038544704,0.006424117,-1.953561948,27.94976166,4.65829361,1.998245203,16.51085255,8.34199337,12.20708728,16.62627535,2.771045891,8.34268074,0.173134186,0.057424239,0.009570707,-1.714373266,121.9707428,20.32845713,2.882268721,15.52983281,7.960125143,11.81274136,15.76667886,2.627779809,7.961318891,0.460714286,0.066070199,0.0110117,-1.630222491,31.14739418,5.191232363,2.063238353,0,11.99687761,15.99741729,-0.400029819,0.070027864,5.265493364,6.661509119,6,16,16,16,6,0,0,0,0,0,12.84807,3.592237584,2.781344608,2.333548603,1.906124728,1.115103822,0.593151971,0.083923071,0.083923071,1.76558814,1.579800051,1.124699913,0.629404145,0.470374741,0.083923071,0.083923071,0.083923071,3.549552421,2.827024021,2.301276039,1.872585929,1.214691833,0.455068315,0.270913902,0.270913902,1.705877938,1.562611512,1.043644104,0.485817241,0.352879148,0.270913902,0.270913902,0.270913902,3.71134339,3.028135012,2.592110985,2.244261009,1.696263144,1.096116116,0.943918427,0.943918427,1.51132652,1.299046955,0.670938686,0.00341635,0.15992107,0.943918427,0.943918427,0.943918427,3.549975424,2.860754453,2.326287799,1.889027594,1.294051301,0.431947622,0.399277246,0.399277246,1.670923055,1.551218672,0.98662128,0.389952927,0.276702511,0.399277246,0.399277246,0.399277246,3.748067959,3.124761748,2.690986598,2.354834663,1.890222761,1.208341272,1.207644823,1.207644823,1.454127995,1.249920815,0.560039893,0.176117501,0.318366389,1.207644823,1.207644823,1.207644823,3.80200412,3.000550363,2.671019626,2.243162725,1.500256096,1.148906867,0.638297872,0.638297872,1.607404101,1.317357791,0.752545279,0.222810548,0.040250163,0.638297872,0.638297872,0.638297872,0,0,0,0,0,2,3,0,0,0,0,0.144337567,0.144337567,0,0,0,0.083333333,0.083333333,0,0.288675135,0,0,0,0.166666667,0,0,0,0.40824829,0.433012702,0,0.23570226,0.25,0,4.405777394,2.89384685,2.389628766,1.64384685,1.129936127,0.288675135,0,0,0.734296232,0.482307808,0.341375538,0.234835264,0.161419447,0.144337567,0,0,4.106918903,2.509975955,1.823636555,1.157356904,0.738641942,0.166666667,0,0,0.684486484,0.418329326,0.260519508,0.165336701,0.105520277,0.083333333,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,1.1853,24.648,18.09925825,25.29161865,36.19851651,6.033086084,18.09925827,0.064833572,0.010805595,-1.641559038,30.97618464,5.16269744,2.059931203,29,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,1,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.833333333,0,0,0,0,0,0,0,0,0,0,0,2.118055556,0,3.516203704,0,0,0,0.546296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,2.118055556,0,0.987268519,0,0,0,0.546296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.118055556,0,1.265046296,0,0,0,0.546296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.33333333,1.888888889,0.45,5.152777778,0.166666667,0.546296296,2.841986111,0.787037037,1.652777778,3.541666667,0.787037037,1.652777778,3.541666667,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.43333,0.49792,0.82778,0.06458,0,-0.06458,0,0.57047,0.14382,0,0.17647,0.17647,0,3.5,0.58333,3.5,0.58333,0,0,-3.5,-0.58333,0,0,4.36053,0.72676,5.2306,0.87007,0.14501,2.40981,0.40163,2.89384,0.48403,0.08067,0.02016,0.00336,0.10616,0.01769,0.3125,6.01,1,1,1,1,0,0,1,1.198192411,1.798794941,3.077819531,3.327819531,3.327819531,3.327819531,19.17107858,28.78071905,49.2451125,53.2451125,53.2451125,53.2451125,0.299548103,0.449698735,0.769454883,0.831954883,0.831954883,0.831954883,2.801807589,2.201205059,0.922180469,0.672180469,0.672180469,0.672180469,0.299548103,0.449698735,0.769454883,0.831954883,0.831954883,0.831954883,10.71860945,17.9258398,20.58889467,20.84085093,20.84085093,20.84085093,21.96987352,15.23794941,13.85845859,13.35845859,13.35845859,13.35845859,4.166666667,1.632653061,0.979591837,0,0,0,1.9,0.7632,0,1.144714243,1,0,2.381101578,1.889881575,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.42,0.414,0.423,0.246,2.756,7,7,7,2,0,0,0,0,0,35,1.945910149,2.079441542,2.079441542,2.079441542,1.098612289,0,0,0,0,0,3.583518938,1,0.333333333,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0.166666667,0,2,3,0.5,1,0.444444444,0.222222222,0,0,0,0,0,0,0,0.166666667,0.063492063,0.111111111,0,0,0,0,0,0,0,0.341269841,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,9.23,91.47014983,3.584962501,3.295836866,4.007333185,4.762173935,5.493061443,6.251903883,6.989335266,7.747164967,8.487764381,9.243871855,68.27844578,2.564949357,0,3.713572067,2.397895273,5.017279837,4.442651256,6.385194399,6.224558429,7.788626066,8.245646901,86.07316494,5.379572809,11.57549817,1.929249695,2.891111036,2.891111036,0,26,2,0.986,26,1.309911391,2.241198736,2.976336421,3.754704948,4.776067369,0,0,0,0,0,107.6946951,111.6476368,54.83331528,23.55728718,4.852790116,0,0,0,0,0,313.1104913,365.4007522,305.4928407,265.6142409,148.4580575,0,0,0,0,0,10.13777901,17.25740995,22.30280626,25.93637784,32.08783668,0,0,0,0,0,2.165401804,2.708941102,2.674825228,2.860102887,2.123501187,0,0,0,0,0,190.3085692,353.9272541,499.7134276,637.7152381,883.1791638,0,0,0,0,0,3.152731123,4.985664245,5.500028127,5.009792114,4.776067369,0,0,0,0,0,0.494137604,0.643946154,0.628531323,0.629412813,0.489069299,0,0,0,0,0,257.4259963,120.5502095,9.884702851,45.41605786,-21.2679192,-11.24891712,212.0099384,141.8181287,21.13361997,0.850033847,0.398062977,0.032639796,0.149966153,-0.07022776,-0.037144501,77.95941751,36.50767307,2.993503716,13.75389225,-6.440820338,-3.406645169,0.127428795,0.806508894,2.345396322,22.83064688,274.5340627,28.30799147,0.90652556,0.09347444,391.7044361,19.79152435,7.316771572,488.574797,22.10372812,7.876084255,595.6939329,24.40684193,8.414101093,1.792929426,1.792929426,235.5995735,164.8149065,94.79726567,1.429479763,2.485299252,1.738604013,3.35748292,3.412924592,5.575364585,0.633603215,2.789038346,2.735300742,12.11315708,2.970476358,9.47975568,6.562286279,3.999928472,0.528813154,3.058754241,0.584781977,1.48E-08,7.41E-38,7.18E-89,1.34E-161,4.84E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234094726,1.947116845,1.729851862,2.408499233,1.818474664,1.127646364,1.087966992,0.041521881,0.021793092,0.004118667,1.04E-10,5.22E-40,5.06E-91,9.45E-164,3.41E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.755613178,1.677871835,3.259274475,2.058219896,2.206187672,1.767558962,1.369712848,0.135920742,0.225137647,0.042919689,1.08E-09,5.44E-39,5.27E-90,9.85E-163,3.55E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.632626535,2.807929746,11.62818735,3.146583611,9.627765704,6.161842674,3.768880515,0.497188756,2.725467125,0.521030213,1.31E-08,6.60E-38,6.40E-89,1.20E-161,4.31E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.11361925,1.634826397,4.416887121,1.96467174,2.713574821,2.321288257,1.641293182,0.202227299,0.488413772,0.093227299,2.35E-09,1.18E-38,1.14E-89,2.14E-162,7.71E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368160911,3.295372376,15.44843272,3.459940021,12.70964267,8.622866854,5.209965196,0.647939631,4.460090045,0.852849555,2.15E-08,1.08E-37,1.05E-88,1.96E-161,7.05E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.855997001,2.700532673,8.070007613,3.354658745,7.829513821,4.061611273,2.776857894,0.321294943,1.246955036,0.238254314,6.01E-09,3.02E-38,2.93E-89,5.47E-162,1.97E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.775775998,1.166565967,0.574353237,0.614559069,0.258278656,0.559135287,0.654859921,0.491440533,4.516695202,5.50242268,11.87894592,0.421838603,1.70543574,1.777047457,1.055307936,0.139543144,0.597950245,0.355095547,0.235512167,0.523499457,0.028621063,2.971898537,2.270568059,5.504156358,0.429568687,0.787632687,2.277783123,0.981785643,0.316865676,0.636886586,0.274515208,0.379044711,0.462745879,0.149473042,3.576434443,3.269140231,7.554179729,0.455329879,0.991263631,2.693418591,1.196644042,0.55153037,0.606408239,0.269417761,0.526980062,0.687865937,0.451983139,4.441593003,5.368550992,11.58776129,0.409612358,1.666829138,2.493885018,0.980594502,0.402322534,0.643284074,0.252939017,0.452733362,0.463122126,0.241947762,3.876802054,3.843351341,8.704029103,0.464926111,1.15780325,2.82178596,1.202580937,0.604261881,0.609637561,0.25981365,0.577566161,0.695659418,0.543525758,4.628628778,5.825197514,12.50434427,0.414456342,1.816751337,2.735436459,1.177939425,0.559763508,0.611524976,0.263336177,0.543420015,0.667107655,0.46588682,4.473139392,5.412743464,11.68954077,0.417287464,1.67641449 +UMLMON0025,L,2-Methyltetrahydrofuran,CC1CCCO1,7301,[1] has BRON/BMON as 92/91,"Sandia, UML",[6],C5H10O,PubChem,,73,0,0.9959,0.99181681,31.3688,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1621.430308,1511.675147,932.521344,508.440578,160.526016,18.289152,0,3346.887898,3979.09551,4899.824225,4750.067029,3689.644434,2761.554813,1843.095563,559.5073998,0,152.568096,145.6753,259.389256,292.874708,268.423752,156.578312,186.188544,120.932352,0,23.35516286,28.53615172,36.92210936,35.87331513,27.87557381,23.66095011,20.03172529,8.003032287,0,3350.680532,2804.677982,5515.919437,6308.95423,5709.300425,3322.692514,4611.235353,3328.517736,0,92.05555556,55.63888889,97.83333333,116.1666667,117.8333333,54,39,18,0,69.4856748,68.35965826,47.68912671,39.78092492,28.25822255,24.2114561,5.945408,1.016064,0,167.3443949,209.4260795,144.1124772,125.0017639,111.8074071,131.5026102,68.26279863,31.08374443,0,7.6284048,7.667121053,7.629095765,7.707229158,8.134053091,7.456110095,6.895872,6.718464,0,1.167758143,1.501902722,1.085944393,0.944034609,0.844714358,1.12671191,0.741915752,0.444612905,0,167.5340266,147.6146306,162.2329246,166.0251113,173.0091038,158.2234531,170.7864946,184.917652,0,4.602777778,2.928362573,2.87745098,3.057017544,3.570707071,2.571428571,1.444444444,1,0,0.265050948,-0.169544357,0.046812119,0.066241071,-0.077778716,-0.014331584,0.005248575,0.010827416,0,715.056216,-13.739645,163.134436,8.082683,-477.4752,-440.557582,-11.6928,414.72,0,931.2646053,-148.2416011,14.65790436,-113.5411341,-18.13720717,-544.823367,-183.3018537,527.7549561,0,1.9334688,0.00145024,0.78334624,-0.41053792,-1.73169072,-0.37282624,0.34546032,0.41806368,0,4.097118945,-1.072153629,-0.37144502,-1.232273714,1.679403061,-1.716668431,-1.115611506,1.780189767,0,23.01673804,-6.548761719,-2.425366892,-8.182040188,11.44533947,-8.189057442,-6.415438516,8.806956266,0,37.60555556,-2.083611111,10.82333333,-0.378333333,-29.09916667,-9.2775,3.6075,7.605,0,0.013252547,-0.008923387,0.001376827,0.001743186,-0.002356931,-6.82E-04,1.94E-04,6.02E-04,0,35.7528108,-0.723139211,4.798071647,0.212702184,-14.46894545,-20.97893248,-0.433066667,23.04,0,46.56323026,-7.80218953,0.431114834,-2.987924583,-0.549612338,-25.94396986,-6.788957544,29.31971978,0,0.09667344,7.63E-05,0.023039595,-0.010803629,-0.052475476,-0.01775363,0.012794827,0.02322576,0,0.204855947,-0.056429138,-0.010924854,-0.032428256,0.050891002,-0.081746116,-0.041318945,0.098899431,0,1.150836902,-0.344671669,-0.07133432,-0.215316847,0.346828469,-0.389955116,-0.237608834,0.489275348,0,1.880277778,-0.109663743,0.318333333,-0.00995614,-0.881792929,-0.441785714,0.133611111,0.4225,0,-0.673333731,0.1038915,0.131535925,-0.177847376,-0.05149624,0.01466825,0.045389246,0,-0.02022608,0.134201243,0.005949244,-0.404693928,-0.586777151,-0.012112801,0.644424857,0,-0.167561174,0.009258697,-0.064169186,-0.01180357,-0.557177191,-0.145800828,0.629675382,0,7.90E-04,0.238323942,-0.111753854,-0.542811721,-0.183645378,0.132351002,0.240249649,0,-0.275457653,-0.053329443,-0.158297848,0.248423356,-0.399041946,-0.20169756,0.482775496,0,-0.299496539,-0.061984735,-0.187095884,0.301370653,-0.338844814,-0.206466123,0.425147427,0,-0.058323161,0.169301226,-0.005295037,-0.4689695,-0.234957685,0.071059241,0.224700842,0,1.65769843,0.960033303,1.38361799,1.795254293,0.538843674,0.10090791,8.29E-05,0,1.04922138,0.856572671,1.013240353,1.565503219,1.498822317,0.714863506,0,0,1.505949528,1.026726295,1.004350278,0.78934733,1.652652529,1.020695904,0,0,0.713221749,0.731396338,1.305110794,2.494926625,0.869342584,0.051789934,0,0,1.749688453,1.117530992,1.095188161,0.495211814,1.561787782,1.037154898,0,0,1.787392882,1.13157774,1.13323644,0.479855679,1.504309691,1.002858016,0,0,0.620475698,0.519485457,1.033387502,2.704206342,1.381402613,0.112276555,0,0,30.46551413,15.48275707,23.14295073,30.84051413,3.855064267,15.48275774,0.5,0.031417193,0.003927149,-2.768319987,99.19679351,12.39959919,3.677684552,30.47787137,15.48820126,23.15196843,30.85176974,3.856471217,15.48820193,0.498531158,0.031726783,0.003965848,-2.760475265,98.15140954,12.26892619,3.669209025,41.51923056,20.3606208,31.58675723,40.92073884,5.115092355,20.36062081,-0.797988956,0.204227304,0.025528413,-1.270817336,28.00879518,3.501099398,2.66601486,30.49084083,15.49391522,23.16143448,30.86358304,3.857947879,15.49391588,0.4969896,0.032051321,0.004006415,-2.752333502,97.08544365,12.13568046,3.660473163,53.33733612,25.5863738,40.96814554,51.71389472,6.46423684,25.5863738,-2.164588529,0.279081393,0.034885174,-1.021001447,25.38243063,3.172803828,2.587245782,31.76117611,16.05372224,24.09597649,32.02087739,4.002609674,16.05372261,0.346268372,0.061972567,0.007746571,-2.224850767,54.19204362,6.774005453,3.194027281,31.27191052,15.91341684,24.02488893,31.81982719,3.977478399,15.91341736,1.095833333,0.172021343,0.021502668,-1.408109376,28.19755492,3.524694365,2.671388215,0,11.89,15.99591765,-0.315728775,0.264047998,4.193307406,7.259440999,7,19,18,18,6,1,1,0,0,1,15.992484,3.571773866,3.112761874,2.688972338,2.333552793,1.90531352,1.186667561,0.963744163,0.083923071,1.804565464,1.636371493,1.249629723,0.971031633,0.756841955,0.260672548,0.083923071,0.083923071,3.481949602,3.104884486,2.561003521,2.405454588,1.858030292,1.208978528,0.604225852,0.270913902,1.790405834,1.577275651,1.134540686,1.046144497,0.684249171,0.20774331,0.270913902,0.270913902,3.652279204,3.312015999,2.855178221,2.704236987,2.247195646,1.667920597,1.226724651,0.943918427,1.588141808,1.309680816,0.76031856,0.703160795,0.243420256,0.320088628,0.943918427,0.943918427,3.472136718,3.120842259,2.524166644,2.457539916,1.892578308,1.257252107,0.45959235,0.399277246,1.791219511,1.538087798,1.076088243,1.058262671,0.627137893,0.136446917,0.399277246,0.399277246,3.672376108,3.384537726,2.883535139,2.838982085,2.370313734,1.832112989,1.208936353,1.207644823,1.555831877,1.237735083,0.676909098,0.631337262,0.110309425,0.478324873,1.207644823,1.207644823,4.74985247,3.358740502,3.255880593,2.612600818,2.504230588,1.677528965,1.390027909,0.571428571,1.643513218,1.414006921,0.898315104,0.58772056,0.397257681,0.249094496,0.571428571,0.571428571,0,0,1,0,0,4,0,1,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.336787657,0,0.048112522,0,1.207106781,0.666666667,0.666666667,0.365947996,0.185395406,0.185395406,6.568914101,3.680739213,3.009975955,1.882088123,0.788675135,0.333333333,0,0,0.821114263,0.525819888,0.376246994,0.268869732,0.197168784,0.166666667,0,0,5.600953631,2.847405879,1.906748834,0.758000987,0.308925565,0.166666667,0,0,0.700119204,0.406772268,0.238343604,0.108285855,0.077231391,0.083333333,0,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.2055,31.471,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,54,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,1,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.1849537,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.181944444,0.5125,0,0,0,0,0,0,0,0,0,0,5.440740741,0,0.483148148,0,0,0,0.009212963,0,0,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,4.664351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.664351852,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368402778,0.5125,0,0,0,0,0,0,0,0,0,0,1.805833333,0,0.483148148,0,0,0,0.009212963,0,0,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,4.664351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,1.817453704,0,0.483148148,0,0,0,0.009212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,4.664351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21,2.625,0.555902778,10.52060185,0.243055556,-0.118055556,2.60383875,1.784722222,3.520601852,9.369907407,1.784722222,3.520601852,9.369907407,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.5,0.27273,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,6.05478,0.75685,9.01229,2.95751,0.36969,2.62717,0.3284,3.68073,1.05356,0.13169,0.23327,0.02916,0.23327,0.02916,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,1.933206219,2.695461844,3.00869497,2.946439345,2.67650216,25.90923688,38.66412439,53.90923688,60.17389939,58.92878689,53.5300432,0.299741647,0.447301801,0.623671145,0.696146466,0.681741871,0.619284287,3.026466251,2.388721876,1.626466251,1.313233125,1.37548875,1.645425935,0.299741647,0.447301801,0.623671145,0.696146466,0.681741871,0.619284287,12.01211119,20.06453515,22.34686572,21.56333241,22.59980713,16.71373201,29.38046565,20.04323714,18.17626446,19.26198137,18.27863607,14.84347485,8,3.9375,3.673469388,8,3,3,1.9,1.0284,0.814325285,1.190550789,3.14734519,0,0,0.816496581,0,1,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.426,0.519,0.065,3.13,8,7,4,2,0,0,0,0,0,36,2.197224577,2.397895273,2.397895273,1.791759469,1.098612289,0,0,0,0,0,3.784189634,1.194444444,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,5,0.666666667,2,1.111111111,0.375,0.16,0,0,0,0,0,0,0.285714286,0.138888889,0.053571429,0.04,0,0,0,0,0,0,0.518174603,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,26.3,127.2763612,4,3.433987204,4.110873864,4.844187086,5.556828062,6.289715571,7.01301579,7.744569809,8.471568013,9.202207389,71.66695279,2.708050201,0,3.850147602,0,5.176149733,0,6.577861358,0,8.011355109,8.288283045,116.0837296,5.804186481,14.49604135,1.812005168,5.21963085,5.21963085,0,70,7,1.21,30,1.230631579,2.107000092,2.874118976,3.599566323,4.73083798,5.311486034,6.035062637,0,0,0,94.58963281,111.3830256,123.5633239,114.596038,123.434637,33.63652295,6.132009883,0,0,0,279.0386343,326.8346689,379.4341783,437.3508254,647.1145974,378.0959155,187.5923446,0,0,0,9.500427541,16.20568638,22.24340932,29.15930085,35.22794678,36.7013802,40.54635106,0,0,0,1.953218228,2.410560489,2.819822293,3.270738075,5.491066688,4.064773173,2.68326673,0,0,0,180.0610686,338.2473209,474.267024,615.7440359,744.1612043,901.2315544,1115.989613,0,0,0,3.692675439,6.396272554,9.064912736,12.64790799,12.12198189,7.857663304,6.035062637,0,0,0,0.448387105,0.580726345,0.71603302,0.847038049,1.223318633,0.894250162,0.617990414,0,0,0,391.5577673,285.4945413,14.29164738,137.4805287,-100.240485,-18.00858183,254.0772385,385.7350263,32.30022921,0.740131235,0.539648157,0.027014391,0.259868765,-0.189476803,-0.034040223,207.149054,151.0375457,7.560828776,72.73246466,-53.03105537,-9.527229444,0.362104972,0.432975078,1.639830682,5.980359742,473.418607,55.619689,0.894866422,0.105133578,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,1016.630404,31.88464213,10.05513019,1.567502935,1.567502935,509.2722642,421.9389392,123.4794408,1.206980956,4.124348644,3.417078474,4.018215915,4.210482197,7.33198478,0.741364631,3.360032699,4.293005721,3.556016475,10.61680876,4.27625995,5.963681221,4.661572895,9.484771417,3.081143857,2.928452472,2.941938292,4.701280485,0.742475872,0.118865545,8.33E-20,1.13E-59,2.94E-121,1.48E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0.298491782,4.443993353,0.298600807,5.988401972,0.186002517,3.233710915,2.11845931,0.667490622,0.303211339,0.063893388,0.91095373,0.177339503,0.005229333,8.37E-04,5.87E-22,7.94E-62,2.07E-123,1.04E-206,1.0109397025365E-311,0,0,0,0,0,0,0,0,0,0,0,0.91615042,4.162909343,0.693727701,5.642578997,0.466543755,2.828545205,1.82700548,1.659002629,0.704330614,0.326095851,1.138970847,0.715597014,0.054493565,0.008724058,6.12E-21,8.27E-61,2.16E-122,1.09E-205,1.05347711390414E-310,0,0,0,0,0,0,0,0,0,0,0,3.176711882,4.443571971,3.829780899,11.51129157,4.157414309,6.559954709,5.057911685,9.440244039,2.852385243,2.638991053,2.751607616,4.288065801,0.661532644,0.10590706,7.43E-20,1.00E-59,2.62E-121,1.32E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,1.342655413,4.056105657,0.903970859,5.685471778,0.74710354,2.751729859,1.804856992,2.381573343,1.028950309,0.601851036,1.350888045,1.199460439,0.11836727,0.018949821,1.33E-20,1.80E-60,4.69E-122,2.36E-205,2.2882930639938E-310,0,0,0,0,0,0,0,0,0,0,0,4.057749124,4.388467814,4.893715989,12.70686904,6.20363933,7.516583096,6.076235487,13.06789634,3.994778457,4.129744309,3.721579775,6.385944029,1.082831233,0.173354226,1.22E-19,1.64E-59,4.29E-121,2.16E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,2.084250999,4.095672528,2.738524125,14.80522293,2.385683933,10.18955216,8.138806955,8.133420654,1.553953148,1.056676457,2.022852484,2.14768827,0.242441162,0.038813239,2.72E-20,3.68E-60,9.60E-122,4.83E-205,4.68690796178273E-310,0,0,0,0,0,0,0,0,0,0,0,5.432907373,1.247394854,0.504175724,0.756200716,0.17362359,0.592301574,0.467153445,0.419007113,7.18447795,10.14502691,20.746294,0.634301075,1.478462132,3.481514753,0.963634447,0.155700551,0.756711247,0.209447059,0.242637785,0.275272549,0.036958693,4.600849752,4.047019726,9.170230432,0.635066871,0.554869026,4.54672931,1.002375069,0.294532393,0.778065011,0.171532747,0.414825769,0.299536183,0.142194862,5.843636772,6.191919098,13.37789553,0.667097517,0.856556814,5.218103179,1.247819914,0.484767493,0.750731616,0.179524595,0.546180882,0.464815471,0.384649752,6.950690586,9.645722389,19.7528568,0.626097425,1.395646105,5.01438099,1.049249333,0.362227017,0.780344275,0.163285501,0.504824014,0.331278273,0.217701277,6.42585734,7.457746634,15.78940199,0.670516413,1.053803563,5.493998725,1.283272169,0.528570719,0.752000798,0.175650149,0.605629215,0.494011518,0.459844162,7.305841612,10.6325626,21.66498406,0.628001198,1.559484896,5.266103342,1.267260586,0.489089092,0.749895133,0.180458393,0.556208795,0.479099826,0.391420317,7.02245302,9.868922242,20.15532365,0.6248427,1.426728938 +UMLMON0026,L,Ethyl 2-methylpropanoate,CCOC(=O)C(C)C,7342,"""ETHYL ISOBUTYRATE ""","Sandia, UML",[11],C6H12O2,PubChem,,109.5,0,-0.3045,0.09272025,28.0683,17.87393,0,0,18,8,10,0,5,0,3,0,0,0,0,0,0,0,1499.385248,1326.539103,1693.98758,1600.882403,909.81686,540.166078,144.307296,12.192768,0,3077.594284,3596.111892,4302.801974,3958.106668,3054.300045,2345.84821,1391.118395,373.0049332,0,144.942368,136.28694,232.338872,264.663524,192.721664,149.543488,152.140032,80.621568,0,20.32024105,24.28072678,29.8832857,27.40131111,21.61926443,18.82674884,14.28985608,5.335354858,0,3039.502158,2557.043588,4740.081059,5487.029837,3885.606378,3107.119849,3661.504836,2219.011824,0,122.0555556,60.97222222,110.8333333,160.8333333,96.83333333,67,43,12,0,83.29918044,78.03171194,58.41336483,50.02757509,39.55725478,28.42979358,6.871776,1.016064,0,170.9774602,211.5359936,148.3724819,123.6908334,132.7956541,123.4656952,66.24373311,31.08374443,0,8.052353778,8.016878824,8.011685241,8.270735125,8.379202783,7.870709895,7.244763429,6.718464,0,1.12890228,1.428278046,1.030458128,0.856290972,0.939968019,0.990881518,0.680469337,0.444612905,0,168.861231,150.4143287,163.451071,171.4696824,168.9394078,163.5326236,174.3573732,184.917652,0,6.780864198,3.586601307,3.82183908,5.026041667,4.210144928,3.526315789,2.047619048,1,0,0.482054701,-0.273455722,-0.074138204,0.264091508,-0.155769986,-0.018701058,-0.004995931,0.021942042,0,724.0980578,-30.10774446,131.2966482,69.06111295,-450.9952343,-421.914785,-29.67051319,370.2814868,0,793.1399219,-108.0167284,-69.35848482,89.47329194,-179.2024426,-444.4062501,-73.6186308,388.5592838,0,2.632671111,-0.26361116,0.382826321,0.364535802,-1.721517086,-0.735411951,0.077215259,0.579627259,0,3.453944568,-0.840704535,-1.110320423,0.518239806,0.25603995,-1.306738655,-0.332168197,1.08867977,0,19.81899686,-5.328139384,-7.276959392,3.196928626,2.467525084,-6.210894211,-1.769105744,5.011146594,0,54,-7.62345679,6.265432099,13.48765432,-31.06790123,-16.7191358,-2.046296296,10.7037037,0,0.026780817,-0.016085631,-0.00255649,0.00825286,-0.006772608,-9.84E-04,-2.38E-04,0.001828503,0,40.22766988,-1.771043792,4.527470629,2.15815978,-19.60848845,-22.20604132,-1.41288158,30.85679057,0,44.063329,-6.353925201,-2.39167189,2.796040373,-7.791410549,-23.38980263,-3.505649086,32.37994032,0,0.146259506,-0.015506539,0.013200908,0.011391744,-0.074848569,-0.038705892,0.003676917,0.048302272,0,0.191885809,-0.049453208,-0.038286911,0.016194994,0.011132172,-0.068775719,-0.015817533,0.090723314,0,1.101055381,-0.313419964,-0.250929634,0.09990402,0.107283699,-0.326889169,-0.084243131,0.417595549,0,3,-0.448438635,0.216049383,0.421489198,-1.350778315,-0.879954516,-0.097442681,0.891975309,0,-0.600640034,-0.09545974,0.308163105,-0.252890274,-0.036752658,-0.00888328,0.068276614,0,-0.044025513,0.112546181,0.05364864,-0.487437838,-0.552009137,-0.035122133,0.767053888,0,-0.144199845,-0.054278057,0.063455042,-0.176823012,-0.530822413,-0.079559333,0.734850068,0,-0.106020725,0.09025675,0.077887203,-0.511751823,-0.264638471,0.025139679,0.330250476,0,-0.25772207,-0.199529664,0.084399123,0.058014565,-0.358420036,-0.082432011,0.472798455,0,-0.284654132,-0.227899194,0.090734782,0.097437151,-0.296887127,-0.076511257,0.379268433,0,-0.149479545,0.072016461,0.140496399,-0.450259438,-0.293318172,-0.032480894,0.297325103,0,1.571132147,1.08038133,1.041076375,1.460719839,0.782805071,0.540683694,0.151753393,0,0.951487663,0.844151959,0.987894029,1.53394993,1.452029599,0.850584916,0,0,1.416766838,1.071315382,0.785955898,1.050318687,1.524596752,0.931979087,0,0,0.881071696,0.864693941,1.176660531,1.834673992,1.138670906,0.545727183,0,0,1.750143243,1.263795959,0.726865136,0.826902395,1.412985646,0.832015017,0,0,1.802274338,1.300429444,0.736448673,0.819038449,1.359554949,0.781576024,0,0,0.833333333,0.696723783,1.00620499,1.976147343,1.477420403,0.614638448,0,0,29.33623287,15.04311644,22.58609217,29.89873287,3.737341609,15.04311752,0.75,0.066374125,0.008296766,-2.169958389,63.52800049,7.941000061,3.321184609,29.35191364,15.04985519,22.59680944,29.91276119,3.739095149,15.04985627,0.747796737,0.066568304,0.008321038,-2.167621388,63.27577773,7.909472216,3.318002078,43.3114506,21.05723358,32.40916667,42.41371302,5.301714128,21.05723358,-1.196983434,0.166074512,0.020759314,-1.43625498,29.17347537,3.646684422,2.698607935,29.36837114,15.05692777,22.60805875,29.92748444,3.740935555,15.05692884,0.745484401,0.066771785,0.008346473,-2.165179732,63.01447236,7.876809044,3.314691536,58.1714096,27.4622634,43.10532842,55.7362475,6.967030938,27.4622634,-3.246882793,0.20515778,0.025644723,-1.267180749,26.4879888,3.3109986,2.621353102,30.97956722,15.74948489,23.71482893,31.36911913,3.921139892,15.7494854,0.519402558,0.085219015,0.010652377,-1.97002455,47.51762188,5.939702735,3.088880503,26.23962054,13.7512141,20.97143959,27.16950149,3.396187687,13.75121941,1.859761905,0.08461575,0.010576969,-1.975707885,31.6606543,3.957581788,2.764059777,0,11.9964005,15.99870153,-0.404851889,0.290127654,3.996555883,6.471126375,7,17,16,16,6,1,1,0,0,1,13.80607,3.556447971,3.093689269,2.654651344,2.108810366,1.899561972,1.068230365,0.951302151,0.083923071,1.710093806,1.608280209,1.031982843,0.831268,0.506469849,0.228896458,0.083923071,0.083923071,3.415338534,3.077679277,2.530848323,1.938377959,1.79891056,1.016800201,0.604198271,0.270913902,1.737710115,1.551085024,1.067229017,0.771930127,0.607573439,0.147658579,0.270913902,0.270913902,3.622856623,3.288723733,2.830219694,2.403358692,2.228283943,1.563570305,1.226705596,0.943918427,1.502659502,1.283420236,0.716604543,0.294190451,0.097874558,0.442611187,0.943918427,0.943918427,3.384967877,3.094699652,2.509682289,1.944093967,1.772262918,1.054565118,0.459592345,0.399277246,1.761489039,1.51543375,1.072418523,0.765112436,0.597857783,0.070447845,0.399277246,0.399277246,3.626657549,3.358908142,2.874368984,2.476832855,2.327884331,1.73750025,1.208936353,1.207644823,1.485081724,1.210942904,0.667086946,0.177028921,0.02555299,0.620987355,1.207644823,1.207644823,4.859420036,4.180163435,3.377025967,2.903152221,2.547759869,1.715493734,1.414685772,0.588235294,1.467341898,1.356863289,0.617136913,0.451495534,0.208599924,0.3335955,0.588235294,0.588235294,0,0,1,0,0,3,1,0,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.177211967,0,0.021516574,0,1.207106781,0.666666667,0.666666667,0.209059043,0.120523697,0.101717521,6.568914101,3.680739213,3.009975955,1.882088123,0.788675135,0.333333333,0,0,0.821114263,0.525819888,0.376246994,0.268869732,0.197168784,0.166666667,0,0,5.048167227,2.5282545,1.428021765,0.627707981,0.262860031,0.120601133,0,0,0.631020903,0.361179214,0.178502721,0.089672569,0.065715008,0.060300566,0,0,9.853536332,18.43117261,17.6745098,18,10.43349102,139.6048383,0.547418685,1.023954034,0.981917211,1,0.57963839,7.755824351,-0.0697,28.3138,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,54,1,0,3,1,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.703402778,0,23.16240741,-0.5625,0,10.32943723,0,0,0,0,0,0,0,0.703402778,0,0,0,0,0,0,0,0,0,0,0,0,0,2.242430556,0.7625,0,0,0,0,0,0,0,0,0,0,3.067731481,0,0.323148148,0,0,0,-0.990787037,0,0,-0.5625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.477453704,10.27060185,4.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.703402778,0,4.414351852,-0.5625,0,3.105067355,0,0,0,0,0,0,0,0.703402778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.404513889,0.7625,0,0,0,0,0,0,0,0,0,0,1.373009259,0,0.323148148,0,0,0,-0.990787037,0,0,-0.5625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.477453704,10.27060185,4.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.703402778,0,10.27060185,0,0,7.224369872,0,0,0,0,0,0,0,0.703402778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.7625,0.7625,0,0,0,0,0,0,0,0,0,0,1.694722222,0,0.323148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.477453704,10.27060185,4.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,25,3.125,0.7625,10.27060185,0.305555556,-0.990787037,1.139245417,2.32412037,3.270601852,13.32481481,2.32412037,3.270601852,13.32481481,3.49999,0.4375,0,0.0625,0.60556,0.9875,0.42308,0.60556,0.91111,0.18248,0,-0.18248,0.07639,0.44304,0.27125,0,0.47619,0.28572,0,6,0.75,4.5,0.5625,1.5,0.1875,-3,-0.375,0,0,5.29251,0.66156,9.01229,3.71979,0.46497,2.34715,0.29339,3.68073,1.33358,0.1667,0.23327,0.02916,0.23327,0.02916,0,7.03,3,3,3,3,1,1,0.8,1.41526895,2.47385139,3.197159723,3.419381946,3.350209029,3.067168057,25.4748411,44.52932501,57.54887502,61.54887502,60.30376252,55.20902502,0.339399138,0.593260404,0.766718759,0.820010419,0.803421891,0.735545137,2.754656051,1.696073612,0.972765278,0.750543056,0.819715972,1.102756945,0.339399138,0.593260404,0.766718759,0.820010419,0.803421891,0.735545137,13.52582794,24.42007018,26.3703912,25.37299955,26.52463812,20.22096097,30.45091815,18.68805417,16.84745278,17.70910695,16.66716876,13.01921528,8,3.9375,3.673469388,8,3,3,1.68,0.9462,0.2,1,1.807204007,0,0,0.816496581,0,1,0,0,0.333333333,0.816496581,0,0,0,0,0,0,0,0.098,0.674,0.647,0.679,0.259,3.072,8,7,4,2,0,0,0,0,0,36,2.197224577,2.397895273,2.397895273,1.791759469,1.098612289,0,0,0,0,0,3.784189634,1.194444444,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,5,0.666666667,2,1.111111111,0.375,0.16,0,0,0,0,0,0,0.285714286,0.138888889,0.053571429,0.04,0,0,0,0,0,0,0.518174603,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,46.53,118.7706032,4,3.433987204,4.110873864,4.844187086,5.556828062,6.289715571,7.01301579,7.744569809,8.471568013,9.202207389,71.66695279,2.708050201,0,3.850147602,0,5.176149733,0,6.577861358,0,8.011355109,8.288283045,118.0629942,6.559055232,14.49604135,1.812005168,7.579504562,7.579504562,0,70,7,0.153,30,1.227294118,2.114206346,2.841275626,3.621111676,4.717759789,5.32173705,6.194294779,0,0,0,107.1569847,135.6010402,153.9327253,160.6251205,144.0408635,38.87494407,6.29379993,0,0,0,280.8997559,333.6793001,372.7024105,523.113815,610.2256003,371.5084651,192.5418758,0,0,0,9.896911164,17.11730336,23.66171759,30.04483302,37.02122186,38.58196827,41.61614648,0,0,0,1.85453137,2.263806567,2.534047435,3.686997373,4.860893426,3.781025975,2.754063395,0,0,0,182.7180734,342.8896201,485.0791768,602.644785,765.8651897,920.1762997,1145.434446,0,0,0,4.487617647,8.563709423,15.03227745,14.66826665,16.50833923,11.0129691,6.194294779,0,0,0,0.454540535,0.602982038,0.711908559,0.972654336,1.191642912,0.897630464,0.634295785,0,0,0,358.0363846,368.6204335,17.99619772,162.9861541,-167.8042494,-29.72213145,195.0502305,536.424683,47.71832917,0.687180223,0.707494218,0.034540152,0.312819777,-0.32206716,-0.057045769,186.5450261,192.0595541,9.376424623,84.91945979,-87.42979605,-15.48590039,0.281772252,0.371519756,1.435539888,11.63850692,414.4957461,106.5267927,0.795542832,0.204457168,621.5829204,24.93156474,8.534269586,726.7971772,26.95917612,8.990925739,1095.143084,33.09294614,10.30758571,1.782469004,1.782469004,505.7169154,421.4404459,117.7581081,1.199972429,4.294540083,3.578865631,3.947620728,4.210482197,7.33198478,0.741364631,3.237668448,3.727208714,3.908996166,7.248064166,5.871241674,6.102548419,3.906336518,7.612647395,0.138102345,1.27400306,2.359040485,4.694733339,0.732350733,0.118865545,8.33E-20,1.13E-59,2.94E-121,1.48E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0.308127649,4.00533844,0.373267053,4.650013144,0.302588289,2.388679691,2.701846374,0.595529229,0.076033485,0.051862396,0.890565705,0.177293391,0.005158021,8.37E-04,5.87E-22,7.94E-62,2.07E-123,1.04E-206,1.0109397025365E-311,0,0,0,0,0,0,0,0,0,0,0,0.827807094,3.4880118,0.822821355,3.560433749,0.815395705,2.305504514,1.700747852,1.297806368,0.057568613,0.194622623,1.054333179,0.715116491,0.053750437,0.008724058,6.12E-21,8.27E-61,2.16E-122,1.09E-205,1.05347711390414E-310,0,0,0,0,0,0,0,0,0,0,0,3.284168077,4.004339458,4.355851358,8.411906852,5.764680209,6.45761014,4.412573213,7.874865727,0.149837347,1.182501251,2.221089962,4.282232412,0.652511328,0.10590706,7.43E-20,1.00E-59,2.62E-121,1.32E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,1.145552785,3.29142747,1.022715542,3.222631076,1.242841585,2.464133412,1.428365439,1.755789855,0.055502351,0.318964957,1.207115989,1.198416678,0.116753097,0.018949821,1.33E-20,1.80E-60,4.69E-122,2.36E-205,2.2882930639938E-310,0,0,0,0,0,0,0,0,0,0,0,4.090606766,3.902783031,5.363028843,9.022219049,8.290329156,7.97599983,5.027785193,10.69732975,0.170979886,1.739073298,2.924640741,6.376395632,1.068064669,0.173354226,1.22E-19,1.64E-59,4.29E-121,2.16E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,3.112678205,4.524424245,3.989569267,14.32143325,4.092384067,10.06634082,8.720701304,8.435475012,0.271892628,0.622291715,1.868809106,2.273615288,0.253408623,0.041129946,2.88E-20,3.90E-60,1.02E-121,5.12E-205,4.96666284877497E-310,0,0,0,0,0,0,0,0,0,0,0,5.581474855,0.867203932,0.486813487,0.804769818,0.125038555,0.595819433,0.445630813,0.433202434,6.935492274,7.979580747,17.27138512,0.707154727,1.47465268,3.461762812,0.855684233,0.144480027,0.775844776,0.19177459,0.235205819,0.434431082,0.034769611,4.461927072,3.585960723,8.475863042,0.663767165,0.704406513,4.645760857,0.725481882,0.27255384,0.82316235,0.128545009,0.414272275,0.319609143,0.135880224,5.643796579,4.834368165,11.39678439,0.734743526,0.869761641,5.282155148,0.910137415,0.459081619,0.79414494,0.136834493,0.53453369,0.493462292,0.381238108,6.651374183,7.650254729,16.50865784,0.691217409,1.40923409,5.225215741,0.687540855,0.347187623,0.834706438,0.109831786,0.522266466,0.285578195,0.224847423,6.25994422,5.645385209,13.15261808,0.752059657,1.032692084,5.623940086,0.90233391,0.509551898,0.799329058,0.128248471,0.604967604,0.481350932,0.472225965,7.035825894,8.400147147,18.02178171,0.698993587,1.558544501,5.340242736,0.922564544,0.463826418,0.793895279,0.137151001,0.546156402,0.507556537,0.389852148,6.726633698,7.83157407,16.84335001,0.690842918,1.443565087 +UMLMON0027,L,Ethyl 2-hydroxypropanoate,CCOC(=O)C(C)O,7344,Co-optima vals measured by NREL,Sandia,,C5H10O3,PubChem,,108.1,0,2.764,7.639696,48.8625,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2258.876942,2063.146019,1416.666559,755.790843,163.574208,9.144576,0,4670.34144,5841.481647,8388.986035,9257.748935,7485.049497,4760.641003,1936.346796,279.7536999,0,169.463656,175.052008,301.268408,387.40718,481.702588,334.931628,206.343936,60.466176,0,34.11358067,43.47862034,64.20345803,75.88457971,67.82517366,45.09756585,21.36556401,4.001516144,0,3856.790689,3411.659229,6348.70826,8106.187886,11366.80668,7906.799802,5165.988309,1664.258868,0,50.34027778,60.25,89.25,117.1666667,117.6666667,81.25,42,9,0,60.70275442,67.17251842,53.78278433,38.20640776,20.53139941,15.74564256,5.4524736,1.016064,0,194.59756,243.3950686,199.7377627,171.4397951,108.4789782,99.1800209,64.54489321,31.08374443,0,7.060985667,7.293833667,7.173057333,7.174207037,6.981196928,6.97774225,6.8781312,6.718464,0,1.421399194,1.811609181,1.528653763,1.405269995,0.982973531,0.939532622,0.712185467,0.444612905,0,160.6996121,142.1524679,151.1597205,150.1145905,164.7363288,164.7249959,172.1996103,184.917652,0,2.097511574,2.510416667,2.125,2.169753086,1.70531401,1.692708333,1.4,1,0,0.053704508,-0.008350903,0.004587263,-0.02328864,-0.012619251,-0.003266101,0.002854561,0.013230817,0,706.2183858,-6.39E-14,206.8210987,-610.374462,27.74429373,-191.6878476,25.22208521,189.1656391,0,1313.243245,2.13E-13,384.5926646,-1135.017376,51.59169891,-356.4517379,46.90154447,351.7615835,0,0.138343333,2.24E-15,0.040514833,-0.119568167,0.005434917,-0.037550333,0.004940833,0.03705625,0,5.870808328,1.36E-14,1.719308153,-5.074055769,0.230638899,-1.593505118,0.209671726,1.572537945,0,31.89032402,-1.08E-13,9.339309176,-27.56235147,1.252834158,-8.65594509,1.138940143,8.542051076,0,5.194155093,-1.583043981,3.100911458,-3.442057292,0.015299479,-1.613136574,-0.317346644,1.242296007,0,0.002237688,-3.48E-04,1.09E-04,-4.31E-04,-1.83E-04,-6.80E-05,9.52E-05,0.001470091,0,29.42576608,-2.66E-15,4.924311874,-11.30323078,0.402091213,-3.993496825,0.840736174,21.01840434,0,54.71846854,8.88E-15,9.156968205,-21.0188403,0.747705781,-7.426077874,1.563384816,39.08462039,0,0.005764306,9.32E-17,9.65E-04,-0.002214225,7.88E-05,-7.82E-04,1.65E-04,0.004117361,0,0.244617014,5.67E-16,0.040935908,-0.093963996,0.003342593,-0.033198023,0.006989058,0.174726438,0,1.328763501,-4.50E-15,0.222364504,-0.510413916,0.018157017,-0.180332189,0.037964671,0.949116786,0,0.216423129,-0.065960166,0.073831225,-0.063741802,2.22E-04,-0.033607012,-0.010578221,0.13803289,0,-0.155497246,0.048809559,-0.192730685,-0.081730659,-0.030408069,0.042522474,0.65696867,0,-9.06E-17,0.167346939,-0.384126984,0.013664596,-0.135714286,0.028571429,0.714285714,0,1.62E-16,0.167346939,-0.384126984,0.013664596,-0.135714286,0.028571429,0.714285714,0,1.62E-14,0.167346939,-0.384126984,0.013664596,-0.135714286,0.028571429,0.714285714,0,2.32E-15,0.167346939,-0.384126984,0.013664596,-0.135714286,0.028571429,0.714285714,0,-3.38E-15,0.167346939,-0.384126984,0.013664596,-0.135714286,0.028571429,0.714285714,0,-0.304774107,0.341142953,-0.294523982,0.001024528,-0.155283828,-0.0488775,0.637791766,0,1.239408888,0.811893886,1.230068907,0.893740584,1.098199622,0.952433814,0.308469542,0,1.15,0.891836735,1.423809524,0.885714286,1.026785714,0.788571429,0,0,1.15,0.891836735,1.423809524,0.885714286,1.026785714,0.788571429,0,0,1.15,0.891836735,1.423809524,0.885714286,1.026785714,0.788571429,0,0,1.15,0.891836735,1.423809524,0.885714286,1.026785714,0.788571429,0,0,1.15,0.891836735,1.423809524,0.885714286,1.026785714,0.788571429,0,0,1.483705643,0.586819676,1.322266169,0.934766865,1.109896385,0.885610829,0,0,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,51.01256141,25.17199555,38.17352836,50.92656141,5.092656141,25.17199555,-0.215,0.322160345,0.032216034,-1.132705892,37.60184285,3.760184285,3.627053061,0,11.85,12.1501118,-0.209784842,0.090356042,6.636294998,9.540697499,10,24,21,18,4,3,0,0,0,6,15.304898,3.816440743,3.321824474,2.619181914,2.480282572,2.333552793,2.333552793,0.953184807,0.941428501,2.01079436,1.721444008,1.249629723,1.249629723,1.082250302,0.950449026,0.310513972,0.239930612,3.827816466,3.346908079,2.645815032,2.508422564,2.405454588,2.405454588,1.053336623,1.043091076,1.977938475,1.660851284,1.134540686,1.134540686,1.007167592,0.875463655,0.150156259,0.075242244,3.880159401,3.46141569,2.771820215,2.704236987,2.704236987,2.638910267,1.517793787,1.446259996,1.891139127,1.484979849,0.798620231,0.76031856,0.76031856,0.666187822,0.396843083,0.473017856,3.83631002,3.365630997,2.665925019,2.529531816,2.457539916,2.457539916,1.134811365,1.109915352,1.957986757,1.622339173,1.058262671,1.058262671,0.960278991,0.828656609,0.041902902,0.035557662,3.907304368,3.519230963,2.838982085,2.838982085,2.838078588,2.706120674,1.721464227,1.641901296,1.86649785,1.431813264,0.738564276,0.631337262,0.631337262,0.604855658,0.594311107,0.656533452,3.83686469,3.349618626,2.735205432,2.560250613,2.545054156,2.545054156,1.239419255,1.149307729,1.972665668,1.597415238,0.959151073,0.959151073,0.878261043,0.781295632,0.075442523,0.138774239,0,0,0,5,1,3,0,0,1,0,0,0,0.102062073,0.051031036,0,0,0,0.032075015,0.016037507,1.510362971,0.288675135,0.433012702,0.144337567,1.333333333,0.25,0.25,0.083333333,1.861881719,2.103152481,2.150556853,1.212250449,1.160683603,0.974833632,7.612884175,4.605171716,4.70095927,2.829916587,1.968614081,1.369082439,0.535074775,0.306186218,0.761288418,0.460517172,0.335782805,0.202136899,0.140615291,0.097791603,0.066884347,0.051031036,6.886751346,3.660683603,3.616025404,1.639814472,0.938152853,0.53668078,0.198741682,0.096225045,0.688675135,0.36606836,0.258287529,0.117129605,0.067010918,0.038334341,0.02484271,0.016037507,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.9841,45.142,40.42054828,58.46993254,80.84109655,8.084109655,40.42054828,0.278590457,0.027859046,-1.278012472,37.98302013,3.798302013,3.637139221,78,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,3,0,0,5,0,0,0,0,0,0,0,0,3,0,0,0,0,5,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.95013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.978611111,0,0.857916667,0,0,1.978611111,0,0,0,0,0,0,0,0,6.673611111,0,0,0,0,10.55199074,0,0,0,0,1.398148148,0,0.292916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.398148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375347222,0,0.285972222,0,0,0.375347222,0,0,0,0,0,0,0,0,2.224537037,0,0,0,0,2.050833333,0,0,0,0,1.398148148,0,0.292916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.419166667,0,0.285972222,0,0,0.419166667,0,0,0,0,0,0,0,0,2.224537037,0,0,0,0,2.166666667,0,0,0,0,1.398148148,0,0.292916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.91666667,1.891666667,0.419166667,2.224537037,0.104166667,0.292916667,6.389439444,0.957083333,0.224537037,2.451203704,0.957083333,0.224537037,2.451203704,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.3,0.1,0.1,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.4465,0.74465,12.42563,4.97913,0.49791,2.66428,0.26643,4.60517,1.94089,0.19409,0.30883,0.03088,0.39483,0.03948,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.230650273,2.432931647,2.833333333,3.031453646,2.833333333,23.51685016,53.53560655,58.39035953,68,72.7548875,68,0.213713581,0.486514398,0.530632834,0.617962161,0.661173051,0.617962161,3.605093744,2.354312228,2.152030854,1.751629167,1.553508855,1.751629167,0.206076118,0.469127876,0.511669655,0.595878101,0.637544767,0.595878101,6.772325919,15.75249458,18.17987107,20.76117905,20.96084966,18.58340591,37.92632204,30.31952535,26.51052282,22.56441094,22.01253125,25.32380937,8.1,2.93877551,2.285714286,4,6,3,2.56,1.28,1.5,4.02369228,1.5,3,6.083643419,3.041821709,1.850535862,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.184,0.171,0.474,0.643,4.505,14,14,14,14,8,6,0,0,0,90,2.63905733,3.157000421,3.548179572,3.944006051,4.342993404,3.840795496,3.840795496,0,0,0,5.696883733,3.299305556,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,5,0.666666667,3,1.333333333,0.6875,0.248888889,0.1875,0,0,0,0,0,0.3,0.095238095,0.0625,0.035555556,0.0625,0,0,0,0,0,0.555793651,23.37727465,34.54807559,46.75454929,4.675454929,23.37727465,0.032427167,0.003242717,-3.428758735,56.28586604,5.628586604,4.030443456,0,150.3504702,4.321928095,3.891820298,4.65396035,5.509388337,6.300785795,7.153833802,7.954723334,8.804925263,9.609988595,10.45826307,84.33768885,3.044522438,0,4.343805422,0,5.843544417,0,7.419979924,0,9.031333316,9.257128533,134.1095504,5.587897935,19.29949945,1.929949945,0,0,0,114,11,3.854,48,1.236512656,2.163579757,3.017039332,3.631564835,4.385138938,5.439742824,6.224299214,0,0,0,92.91185031,128.2228326,119.9043185,85.33572729,76.38277317,29.42691151,6.324286356,0,0,0,323.9803594,463.9994136,530.5052347,423.5071962,467.9632868,349.3491661,193.474526,0,0,0,9.050443239,15.58351653,21.67504464,25.41476129,30.72202289,37.40687399,41.81773019,0,0,0,2.364973853,3.495603645,4.320802798,3.746439119,4.358514005,3.860044284,2.767403754,0,0,0,173.8105839,322.5613406,450.7295741,593.8576646,712.7308269,937.3899542,1150.982796,0,0,0,3.172198876,4.798039684,6.628770119,6.38604629,7.748985559,7.594619115,6.224299214,0,0,0,0.486961494,0.724918253,0.90751501,0.800572679,0.93775659,0.853540643,0.637368239,0,0,0,268.4510557,140.566157,10.43332968,81.76649379,-42.81451519,-4.824606727,186.684562,183.3806722,15.25793641,0.766526566,0.401368113,0.029790996,0.233473434,-0.122251199,-0.013776028,94.01627091,49.22873506,3.653935154,28.63606109,-14.9943946,-1.689661945,0.118494841,0.117912504,1.475819255,1.594521369,350.2175495,0,1,0,726.8842238,26.96079049,8.991284665,863.5642905,29.38646441,9.522805011,1311.356274,36.21265351,10.94561663,1.60706476,1.60706476,576.4648566,491.5977576,193.0437467,1.172635244,2.986187672,2.546561419,4.217577998,3.785524729,6.668902549,0.76168511,4.313020202,4.901504018,4.951383489,15.51913342,3.941262212,6.928674604,8.601558586,6.354044017,5.436797567,7.020040549,4.262128814,2.597706692,6.85E-05,2.40E-30,1.89E-77,3.26E-146,1.19E-236,0,0,0,0,0,0,0,0,0,0,0,0,0,0.362071417,4.71949345,0.341577251,8.151651371,1.122454199,1.706385188,1.315663346,1.032566293,1.428488606,0.477069691,0.233553798,0.018295861,4.82E-07,1.69E-32,1.33E-79,2.29E-148,8.38E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,1.168544138,4.731656172,1.150744895,9.279146482,1.42825335,2.721594977,2.209102329,1.962072614,2.047165515,1.613887652,0.83573763,0.190656974,5.03E-06,1.76E-31,1.38E-78,2.39E-147,8.73E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.071145892,4.881520999,4.622550779,14.93495597,3.673328452,6.591008755,7.945466005,5.972824361,5.120833715,6.549176267,3.937626145,2.314509894,6.10E-05,2.14E-30,1.68E-77,2.90E-146,1.06E-236,0,0,0,0,0,0,0,0,0,0,0,0,0,1.722162424,4.747425403,1.745344914,10.1648871,1.718218661,3.433579577,2.998722063,2.646683193,2.531104805,2.453288121,1.314480358,0.414132424,1.09E-05,3.82E-31,3.01E-78,5.19E-147,1.90E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,5.208571964,4.985529826,6.221840683,17.83325631,5.041583932,8.199292661,11.26927612,7.828479731,6.686805568,8.843268836,5.552038706,3.788511073,9.99E-05,3.50E-30,2.75E-77,4.75E-146,1.74E-236,0,0,0,0,0,0,0,0,0,0,0,0,0,2.410643042,3.534666369,2.266910736,10.89242326,2.21471783,4.417246455,4.140326941,3.34125037,3.291456014,3.514330791,1.930909066,0.725940274,1.91E-05,6.70E-31,5.27E-78,9.10E-147,3.32E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,4.12366197,1.818929157,0.830846445,0.608798993,0.268538558,0.521431158,0.552809754,0.312358577,6.773437573,12.43802971,25.44335483,0.413198489,1.386599489,3.395668697,1.036027113,0.403251987,0.702317551,0.214278862,0.35359309,0.179466598,0.073588333,4.834947798,5.305094981,11.55868522,0.553476327,0.606648021,3.65423338,1.314100723,0.555124647,0.661584262,0.237912653,0.409484473,0.288667263,0.139450613,5.52345875,7.560075442,15.7492598,0.492376393,0.837602349,4.102208255,1.795858152,0.818245633,0.610782857,0.26738754,0.516020414,0.53888676,0.302956648,6.71631204,12.19305121,24.93736585,0.416174285,1.357863822,3.78146531,1.450929719,0.629855831,0.645053479,0.24750386,0.438491512,0.351869355,0.179520461,5.862250861,8.782294921,18.10033823,0.467580218,0.969881328,4.192195772,1.892629032,0.871099584,0.602679894,0.272088787,0.538904787,0.598473735,0.343355296,6.955924388,13.23475978,27.10222471,0.404019841,1.480733818,4.108327135,1.797316822,0.818540213,0.610977783,0.267291433,0.517560963,0.539762557,0.303174818,6.72418417,12.21797253,24.98622936,0.416466674,1.360498337 +UMLMON0028,L,tert-butylbenzene,CC(C)(C)C1=CC=CC=C1,7366,Sandia from ind. API report,Sandia,,C10H14,PubChem,,100.8,0,1.7807,3.17089249,44.0035,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1823.036387,1623.322017,1039.238765,522.71285,110.065536,6.096384,0,4184.657049,5188.491512,7025.184097,7105.641586,5452.256084,3409.632809,1321.981609,186.5024666,0,148.486212,153.276228,258.491468,320.107716,316.42034,250.693832,144.281088,40.310784,0,30.43545486,38.46263172,54.50291932,58.49838111,48.45230132,32.73540406,14.68832224,2.667677429,0,3360.161029,2978.619777,5413.572236,6971.511966,7235.800254,5968.477003,3628.909858,1109.505912,0,44.55555556,53.55555556,77.66666667,90.66666667,82,59.33333333,29,6,0,62.40808843,68.74581643,50.63989964,36.0738226,23.09419478,14.51980139,5.241216,1.016064,0,199.2693833,247.0710244,195.1440027,157.9031463,121.1612463,94.71202247,62.95150517,31.08374443,0,7.070772,7.298868,7.180318556,7.1135048,7.031563111,6.963717556,6.870528,6.718464,0,1.449307374,1.831553891,1.513969981,1.299964025,1.076717807,0.909316779,0.699443916,0.444612905,0,160.0076681,141.839037,150.3770065,154.9224881,160.7955612,165.7910279,172.8052313,184.917652,0,2.121693122,2.55026455,2.157407407,2.014814815,1.822222222,1.648148148,1.380952381,1,0,0.051174327,-0.004191973,-0.009797429,-0.010107486,-0.015183945,0.001362904,0.003606133,0.008724633,0,622.6251891,3.91E-13,4.941469755,-192.7173204,-210.0124646,-98.8293951,51.88543243,133.4196834,0,1157.798126,-2.84E-14,9.188874018,-358.3660867,-390.5271458,-183.7774804,96.48317719,248.0995985,0,0.121968,1.88E-15,9.68E-04,-0.037752,-0.04114,-0.01936,0.010164,0.026136,0,5.175896322,1.02E-14,0.041078542,-1.602063147,-1.745838045,-0.821570845,0.431324694,1.10912064,0,28.11555097,4.40E-14,0.223139293,-8.702432443,-9.48341997,-4.462785868,2.342962581,6.024760922,0,4.507936508,-0.761904762,0.859410431,-0.739229025,-1.580498866,-0.902494331,-1.44E-15,0.870748299,0,0.002436873,-2.00E-04,-2.72E-04,-2.25E-04,-3.37E-04,3.79E-05,1.72E-04,0.001454105,0,29.64881853,1.86E-14,0.137263049,-4.282607121,-4.666943658,-2.745260975,2.470734878,22.2366139,0,55.13324411,-1.35E-15,0.2552465,-7.963690816,-8.678381017,-5.10493001,4.594437009,41.34993308,0,0.005808,8.94E-17,2.69E-05,-8.39E-04,-9.14E-04,-5.38E-04,4.84E-04,0.004356,0,0.246471253,4.84E-16,0.001141071,-0.035601403,-0.038796401,-0.022821412,0.020539271,0.18485344,0,1.33883576,2.09E-15,0.006198314,-0.193387388,-0.210742666,-0.123966274,0.111569647,1.00412682,0,0.214663643,-0.036281179,0.023872512,-0.016427312,-0.035122197,-0.025069287,-6.87E-17,0.145124717,0,-0.081915544,-0.111680355,-0.092171743,-0.138464762,0.015535664,0.070467622,0.596709655,0,6.28E-16,0.00462963,-0.144444444,-0.157407407,-0.092592593,0.083333333,0.75,0,-2.45E-17,0.00462963,-0.144444444,-0.157407407,-0.092592593,0.083333333,0.75,0,1.54E-14,0.00462963,-0.144444444,-0.157407407,-0.092592593,0.083333333,0.75,0,1.96E-15,0.00462963,-0.144444444,-0.157407407,-0.092592593,0.083333333,0.75,0,1.56E-15,0.00462963,-0.144444444,-0.157407407,-0.092592593,0.083333333,0.75,0,-0.169014085,0.11120892,-0.076525822,-0.163615023,-0.116784038,-3.20E-16,0.676056338,0,1.134820555,0.990588833,1.065844153,1.063182194,0.978397925,0.846045967,0.28534903,0,1.111111111,1.026234568,1.12345679,1.080246914,0.972222222,0.740740741,0,0,1.111111111,1.026234568,1.12345679,1.080246914,0.972222222,0.740740741,0,0,1.111111111,1.026234568,1.12345679,1.080246914,0.972222222,0.740740741,0,0,1.111111111,1.026234568,1.12345679,1.080246914,0.972222222,0.740740741,0,0,1.111111111,1.026234568,1.12345679,1.080246914,0.972222222,0.740740741,0,0,1.302816901,0.821596244,1.024256651,1.139280125,1.054381847,0.845070423,0,0,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,40.45136923,19.91583039,30.72690265,40.39766553,4.488629503,19.9158304,-0.161111111,0.370015917,0.04111288,-0.894788329,35.86776469,3.985307188,3.221855075,0,11.85,12.15009716,-0.20991693,0.090203616,6.07534375,8.758381125,9,21,18,15,3,3,0,0,0,6,13.118484,3.794979351,3.215828339,2.619181914,2.470833146,2.333552793,1.260641077,0.941428501,0.729217022,1.994710453,1.673106271,1.249629723,1.082250302,0.969383414,0.464978854,0.310513972,0.230270252,3.806876826,3.245226722,2.645815032,2.501835524,2.405454588,1.356365801,1.053336623,0.860003957,1.961466708,1.605357719,1.134540686,1.007167592,0.891855888,0.318671338,0.150156259,0.061869484,3.861289558,3.37839396,2.771820215,2.704236987,2.6430235,1.756172129,1.517793787,1.383146172,1.872633866,1.405550007,0.798620231,0.76031856,0.672110206,0.169275876,0.396843083,0.52344722,3.815743304,3.267124209,2.665925019,2.524945597,2.457539916,1.426031146,1.134811365,0.953928232,1.941179501,1.562024883,1.058262671,0.960278991,0.84316282,0.220705965,0.041902902,0.052494885,3.889291755,3.444858672,2.838982085,2.838078588,2.714479928,1.934748586,1.721464227,1.604929216,1.847140569,1.34415258,0.738564276,0.631337262,0.606526415,0.341130169,0.594311107,0.740644743,3.827769307,3.253330133,2.736627811,2.560684849,2.546278942,1.438457997,1.240457652,1.057756794,1.941032174,1.538234426,0.958043648,0.876967229,0.792725102,0.168568392,0.076352355,0.172031066,0,0,0,5,1,2,0,1,0,0,0,0,0.102062073,0.058925565,0,0,0,0.032075015,0.018518519,0.5,0,0.166666667,0,0.384900179,0,0.096225045,0,1.040440115,1.054737854,1.040440115,0.636894534,0.510897357,0.424596356,6.690234444,4.304530453,3.642107032,2.592638956,1.800833459,1.250443623,0.451184464,0.23570226,0.743359383,0.478281161,0.331100639,0.216053246,0.150069455,0.104203635,0.075197411,0.058925565,5.964101615,3.354059275,2.565384141,1.466239158,0.837939098,0.478822342,0.165337097,0.074074074,0.662677957,0.372673253,0.23321674,0.122186597,0.069828258,0.039901862,0.027556183,0.018518519,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,2.81,40.531,36.08872406,51.75280153,72.17744812,8.019716458,36.08872406,0.19041988,0.021157764,-1.492671377,35.89962077,3.988846752,3.222654059,69,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,3,0,0,5,0,0,0,0,0,0,0,0,2,0,0,0,0,5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.93407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.036805556,0,0.93125,0,0,2.036805556,0,0,0,0,0,0,0,0,4.407407407,0,0,0,0,10.51972222,0.658518519,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.390972222,0,0.285972222,0,0,0.390972222,0,0,0,0,0,0,0,0,2.203703704,0,0,0,0,2.0475,0.658518519,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.157407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.426111111,0,0.359305556,0,0,0.426111111,0,0,0,0,0,0,0,0,2.203703704,0,0,0,0,2.157407407,0.658518519,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17,1.888888889,0.426111111,2.203703704,0.131944444,0.658518519,5.612137685,0.674814815,0.203703704,1.854259259,0.674814815,0.203703704,1.854259259,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.22222,0.22222,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.44402,0.60489,9.97476,4.53073,0.50341,2.34821,0.26091,4.30452,1.95631,0.21737,0.10948,0.01216,0.19548,0.02172,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.255614308,2.684017281,3.141619208,3.368042423,3.141619208,20.68979086,47.36790048,56.3643629,65.97400337,70.72889087,65.97400337,0.224307135,0.513536271,0.611070882,0.715253226,0.766803056,0.715253226,3.407089287,2.136703114,1.708300142,1.250698215,1.024275,1.250698215,0.214882485,0.491959162,0.585395689,0.685200633,0.734584508,0.685200633,6.75154531,15.84138577,18.81429787,21.76436413,21.99255912,19.27548055,33.82580122,27.3383201,23.25490662,19.18539608,18.60971788,22.06378703,7.111111111,3.239669421,2,3,6,3,2.45,1.1391,0.5,2.68246152,2.828427125,0,6.083643419,4.745102806,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.151,0.144,0.514,0.649,4.19,11,12,12,12,6,4,0,0,0,75,2.564949357,3.020424886,3.457892725,3.852803646,4.251170232,3.595598464,3.446011397,0,0,0,5.534870605,3.365,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,3,0.333333333,0,3,5,0.666666667,1.5,0.888888889,0.4375,0.191111111,0.125,0,0,0,0,0,0.166666667,0.080808081,0.048611111,0.038222222,0.0625,0,0,0,0,0,0.396808081,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,0,133.0544855,4.169925001,3.713572067,4.465908119,5.252273428,6.02827852,6.816735881,7.598399329,8.386400901,9.169830829,9.957265258,79.38866433,2.944438979,0,4.143134726,0,5.556828062,0,7.055312843,0,8.590257762,8.836955157,120.0939004,5.718757161,17.52861439,1.947623821,0,0,0,88,9,3.442,40,1.234633511,2.165595806,2.983279347,3.728956613,4.441743034,5.453257175,6.221758101,0,0,0,94.43903682,119.629923,113.1596629,96.02638748,70.40193768,28.28779332,6.321704423,0,0,0,327.3861275,449.1250406,489.136045,478.3676264,447.7327491,341.0739967,193.3955387,0,0,0,9.042027763,15.60196379,21.2715503,26.27358154,31.03335007,37.4561784,41.80065782,0,0,0,2.382529912,3.434617978,3.995250006,4.171856971,4.235013524,3.796521277,2.766273943,0,0,0,173.2140676,322.0102326,458.4498113,595.8781709,728.4394239,943.1939187,1150.5129,0,0,0,3.230802684,4.832721108,6.137552208,6.955271635,7.585330914,7.504189084,6.221758101,0,0,0,0.490292779,0.71399969,0.840509935,0.888245297,0.913729154,0.840621765,0.63710803,0,0,0,256.9475906,124.6147701,10.47614321,79.50219089,-38.55707391,-4.713928236,177.4453998,163.1718441,15.19007145,0.763702653,0.370381486,0.031137316,0.236297347,-0.114599789,-0.014010793,86.44996074,41.92661219,3.524696096,26.74849476,-12.97251909,-1.586000125,0.127917102,0.12730695,1.593170819,1.72156171,336.4497815,0,1,0,664.8026547,25.78376727,8.727655225,782.1086491,27.96620548,9.213451688,1129.49505,33.6079611,10.41425268,1.805695877,1.805695877,502.7228234,402.7110761,147.8383833,1.248346155,3.400489185,2.723995401,4.030673812,3.785524729,6.66215613,0.759902948,3.755219095,3.952947272,4.388315065,10.82161521,4.574289234,4.99852406,5.171874534,5.320057409,3.837949899,5.215262055,2.610180677,1.506570157,3.87E-05,9.57E-31,4.65E-78,4.44E-147,8.32E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0.315259036,3.77101797,0.334370755,5.054835437,0.974736133,1.353166965,1.020806147,0.91731173,0.897453671,0.342837866,0.15213095,0.010610897,2.73E-07,6.74E-33,3.27E-80,3.12E-149,5.86E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,1.017428063,3.783175183,1.101092723,5.721823913,1.320026181,2.031311455,1.64849649,1.650915924,1.317329081,1.169217139,0.535195005,0.110573726,2.84E-06,7.02E-32,3.41E-79,3.26E-148,6.11E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,3.544627149,3.932973147,4.118635497,10.28810849,4.216150725,4.75202677,4.840050854,4.992121078,3.594135604,4.857476968,2.417716891,1.342326887,3.45E-05,8.52E-31,4.14E-78,3.95E-147,7.41E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,1.499445135,3.798937343,1.645468523,6.331160001,1.672694369,2.516418488,2.144599286,2.203530862,1.659107826,1.786438621,0.833393919,0.240180908,6.17E-06,1.53E-31,7.41E-79,7.07E-148,1.33E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.534946345,4.036935697,5.411228759,13.00185896,6.056749742,5.937683334,6.488688788,6.600570706,4.813123721,6.607535578,3.370456835,2.197190985,5.65E-05,1.40E-30,6.78E-78,6.47E-147,1.21E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,2.052948038,3.007962276,2.169594293,6.694594516,2.251300059,3.210094238,2.867500263,2.767303992,2.194855449,2.576022586,1.219167492,0.422256688,1.09E-05,2.68E-31,1.30E-78,1.24E-147,2.33E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.201391824,1.817859552,0.483541124,0.646090403,0.279550601,0.564426063,0.573958078,0.327010915,6.5027925,10.54809584,20.74395314,0.469135604,1.465395056,3.280607491,1.031995626,0.200532498,0.726902041,0.228664883,0.344300516,0.184909211,0.055843114,4.513135614,4.250389655,9.442442595,0.590353062,0.585052841,3.602728895,1.307015856,0.299561155,0.691594804,0.250900193,0.415153313,0.296699129,0.125027984,5.209305907,6.179592601,12.7994792,0.537392205,0.836880426,4.173633807,1.794181195,0.475012209,0.647795396,0.278477311,0.55699891,0.559110908,0.315534061,6.442827211,10.32304028,20.32288018,0.471693094,1.431643879,3.76320271,1.443984599,0.348885291,0.677313452,0.25989304,0.452921992,0.362168862,0.169802397,5.556072599,7.250717812,14.70263544,0.515970177,0.984893251,4.290324481,1.893716656,0.510865551,0.640834097,0.282859305,0.588552919,0.622827052,0.365164119,6.694906688,11.28387251,22.12938756,0.461251145,1.57654409,4.178567342,1.795652595,0.474635957,0.647954833,0.278445142,0.558315455,0.560036332,0.315085661,6.448855894,10.33883489,20.34900554,0.471932249,1.433437448 +UMLMON0029,L,isopropylbenzene,CC(C)C1=CC=CC=C1,7406,"Sandia values from idependent api report and Co-optima database(source from the api report), averaged but because our independent api report matches UML values exactly I think we should go with UML values","Sandia, UML",[1],C9H12,PubChem,,99.3,0,2.2271,4.95997441,48.2855,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2126.719909,1982.460659,1272.316758,697.287531,421.79189,148.333248,18.289152,4670.34144,5841.481647,8080.20575,8578.927599,6803.264279,4249.12541,2367.4049,1470.09063,559.5073998,169.463656,175.052008,300.845524,364.457612,400.658136,312.780396,166.87892,105.566976,120.932352,34.11358067,43.47862034,62.52810234,69.86822116,60.81446311,40.41907011,22.04859796,14.69637043,8.003032287,3856.790689,3411.659229,6375.036452,7774.00066,9174.123052,7511.022367,4003.826014,2392.223529,3328.517736,49.33333333,59.55555556,87.66666667,107.4444444,103.2222222,70,36,27,18,60.70275442,67.17251842,50.63618831,38.87177763,22.32134663,15.49527847,17.57466208,9.8888832,1.016064,194.59756,243.3950686,192.3858512,168.2142666,119.3555137,94.42500911,98.64187085,98.00604198,31.08374443,7.060985667,7.293833667,7.162988667,7.146227686,7.029090105,6.950675467,6.953288333,7.0377984,6.718464,1.421399194,1.811609181,1.488764342,1.369965121,1.066920405,0.898201558,0.918691582,0.979758029,0.444612905,160.6996121,142.1524679,151.7865822,152.4313855,160.9495272,166.9116082,166.8260839,159.4815686,184.917652,2.055555556,2.481481481,2.087301587,2.106753813,1.810916179,1.555555556,1.5,1.8,1,0.049285068,-0.003402752,2.96E-04,-0.019867303,-0.022847155,0.010028907,0.011904254,-0.012516513,0.011762161,706.2183858,-1.07E-13,136.1992601,-320.3204821,-295.0983969,-2.522208521,40.35533633,-290.0539799,378.3312781,1313.243245,1.85E-13,253.2683401,-595.6496147,-548.7480703,-4.690154447,75.04247115,-539.3677614,703.523167,0.138343333,2.23E-15,0.0266805,-0.062748583,-0.05780775,-4.94E-04,0.007905333,-0.056819583,0.0741125,5.870808328,1.37E-14,1.13222732,-2.66283092,-2.453159194,-0.020967173,0.335474762,-2.411224849,3.14507589,31.89032402,-1.08E-13,6.150276775,-14.46453982,-13.32559968,-0.113894014,1.822304229,-13.09781165,17.08410215,4.87037037,-1.240740741,2.143518519,-1.331018519,-2.604166667,-0.891203704,1.518518519,-2.377314815,2.347222222,0.002053545,-1.42E-04,7.04E-06,-3.90E-04,-4.01E-04,2.23E-04,4.96E-04,-8.34E-04,6.53E-04,29.42576608,-4.44E-15,3.242839527,-6.280793768,-5.177164859,-0.056049078,1.681472347,-19.33693199,21.01840434,54.71846854,7.70E-15,6.030198574,-11.67940421,-9.627159127,-0.104225654,3.126769631,-35.95785076,39.08462039,0.005764306,9.28E-17,6.35E-04,-0.001230364,-0.001014171,-1.10E-05,3.29E-04,-0.003787972,0.004117361,0.244617014,5.71E-16,0.026957793,-0.052212371,-0.043037881,-4.66E-04,0.013978115,-0.160748323,0.174726438,1.328763501,-4.51E-15,0.146435161,-0.283618428,-0.23378245,-0.002530978,0.075929343,-0.873187443,0.949116786,0.202932099,-0.051697531,0.051036155,-0.026098402,-0.045687135,-0.019804527,0.063271605,-0.158487654,0.130401235,-0.069042259,0.00343039,-0.189698818,-0.195188014,0.108526793,0.241538759,-0.406338507,0.318207557,-1.51E-16,0.110204082,-0.213445378,-0.17593985,-0.001904762,0.057142857,-0.657142857,0.714285714,1.41E-16,0.110204082,-0.213445378,-0.17593985,-0.001904762,0.057142857,-0.657142857,0.714285714,1.61E-14,0.110204082,-0.213445378,-0.17593985,-0.001904762,0.057142857,-0.657142857,0.714285714,2.34E-15,0.110204082,-0.213445378,-0.17593985,-0.001904762,0.057142857,-0.657142857,0.714285714,-3.40E-15,0.110204082,-0.213445378,-0.17593985,-0.001904762,0.057142857,-0.657142857,0.714285714,-0.254752852,0.251493753,-0.128606576,-0.225135081,-0.097591888,0.311787072,-0.780988593,0.642585551,1.158498124,0.913373931,1.259193342,1.235210956,0.979917383,0.623083053,1.072253381,0.004132155,1.15,0.93877551,1.23697479,1.106766917,0.876190476,0.821428571,1.577142857,0,1.15,0.93877551,1.23697479,1.106766917,0.876190476,0.821428571,1.577142857,0,1.15,0.93877551,1.23697479,1.106766917,0.876190476,0.821428571,1.577142857,0,1.15,0.93877551,1.23697479,1.106766917,0.876190476,0.821428571,1.577142857,0,1.15,0.93877551,1.23697479,1.106766917,0.876190476,0.821428571,1.577142857,0,1.442965779,0.662140141,1.183180497,1.261156694,0.967807351,0.393536122,1.888973384,0,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,48.20642229,23.94987781,36.25686402,48.10242229,4.810242229,23.94987781,-0.173333333,0.327350035,0.032735004,-1.116725237,62.94720677,6.294720677,4.142296387,0,11.89,12.11015511,-0.1516392,0.071609308,5.925361354,8.915569697,10,24,21,18,4,3,0,0,0,6,15.304898,3.823473119,3.269532186,2.72417595,2.619181914,2.333552793,2.03423475,1.208656838,0.941428501,2.010155309,1.706442598,1.344886195,1.249629723,1.082250302,0.75545327,0.431896806,0.310513972,3.834368761,3.296501826,2.763929326,2.645815032,2.405454588,2.09041174,1.307107336,1.053336623,1.978530921,1.639567799,1.254436901,1.134540686,1.007167592,0.659785591,0.284416005,0.150156259,3.884550649,3.420774242,2.945651656,2.771820215,2.704236987,2.321654126,1.715238132,1.517793787,1.895088756,1.446511978,0.982853538,0.798620231,0.76031856,0.364891188,0.209063308,0.396843083,3.842505949,3.316703901,2.793650836,2.665925019,2.457539916,2.130959572,1.3785471,1.134811365,1.959333563,1.597168741,1.196073579,1.058262671,0.960278991,0.598058675,0.185560998,0.041902902,3.91061153,3.483988683,3.036663921,2.838982085,2.838078588,2.425693774,1.896403367,1.721464227,1.871444508,1.388505361,0.898762531,0.738564276,0.631337262,0.265461596,0.383723076,0.594311107,3.846903513,3.293825076,2.846399753,2.748161606,2.556211565,2.181511415,1.39678778,1.248880791,1.958493972,1.587802241,1.116493412,0.949068708,0.866482806,0.545489769,0.122074907,0.083726123,0,0,0,4,2,3,0,1,0,0,0,0,0.083333333,0.131445856,0,0,0,0.027777778,0.043815285,0.788675135,0,0.166666667,0,0.551566846,0,0.096225045,0,1.448688405,1.404193779,1.498266827,0.829344624,0.654083483,0.604819519,7.560477932,4.698377303,4.263968845,3.003322558,1.952529745,1.449135293,0.919957418,0.19245009,0.756047793,0.46983773,0.327997603,0.21452304,0.13946641,0.090570956,0.076663118,0.048112522,6.886751346,3.764742878,3.065384141,1.744016936,0.951353092,0.607122402,0.391191771,0.06415003,0.688675135,0.376474288,0.23579878,0.124572638,0.067953792,0.03794515,0.032599314,0.016037507,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.83802,44.171,41.38554761,57.2454538,82.77109522,8.277109522,41.38554761,0.164516426,0.016451643,-1.804744859,43.26675075,4.326675075,3.767384459,88,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,4,0,0,0,0,0,0,0,0,3,0,0,0,0,4,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.47222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.523888889,0,0.93125,0,0,1.523888889,0,0,0,0,0,0,0,0,6.541111111,0,0,0,0,8.712962963,0.653333333,0,0,0,2.759259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.337407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375347222,0,0.285972222,0,0,0.375347222,0,0,0,0,0,0,0,0,2.115185185,0,0,0,0,2.162037037,0.653333333,0,0,0,1.337407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.194444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.386597222,0,0.359305556,0,0,0.386597222,0,0,0,0,0,0,0,0,2.212962963,0,0,0,0,2.194444444,0.653333333,0,0,0,1.421851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.66666667,1.866666667,0.386597222,2.212962963,0.121944444,0.653333333,6.260454444,0.68,0.212962963,2.508148148,0.68,0.212962963,2.508148148,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.3,0.3,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.98832,0.69883,11.95289,4.96457,0.49646,2.70145,0.27014,4.69836,1.99691,0.19969,0.21564,0.02156,0.30164,0.03016,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.367492461,2.990601563,3.240601563,3.272055209,3.188721876,23.51685016,56.81981907,71.77443751,77.77443751,78.52932501,76.52932501,0.213713581,0.516360267,0.652263036,0.706789109,0.713649285,0.695473927,3.605093744,2.21747004,1.594360938,1.344360938,1.312907292,1.396240625,0.206076118,0.497907145,0.628953169,0.681530649,0.688145662,0.670619836,6.772325919,17.88939319,19.43339272,22.43339272,20.63306334,20.54907792,37.92632204,26.78820795,24.54912344,20.08671719,22.1198,22.33521355,8.1,3.408284024,2.285714286,2,6,0,2.56,1.28,0.721124785,3.888322594,3.867776753,0,3.301927249,7.065551058,0,1.310370697,0,0,0,0,0,0,0,0,0,0,0,0.003,0.147,0.132,0.49,0.657,4.666,13,14,14,16,12,4,0,0,0,93,2.63905733,3.157000421,3.590439381,3.986666548,4.466626252,4.1763085,3.446011397,0,0,0,5.7531677,3.378360215,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,6,1,2.5,1.333333333,0.5,0.382222222,0.236111111,0,0,0,0,0,0.25,0.102564103,0.045454545,0.063703704,0.078703704,0,0,0,0,0,0.540426055,24.79457074,37.39674508,49.58914148,4.958914148,24.79457074,0.015455772,0.001545577,-4.169772747,91.09660652,9.109660652,4.511920553,0,150.3504702,4.321928095,3.850147602,4.615120517,5.424950017,6.216606101,7.027314514,7.824445931,8.635331719,9.43356392,10.24448525,83.27196557,3.044522438,0,4.290459441,0,5.733341277,0,7.25629724,0,8.815963561,9.055672892,134.1095504,5.587897935,19.38570823,1.938570823,0,0,0,120,11,3.834,46,1.235929323,2.155114745,3.005584582,3.7271005,4.548111905,5.595663245,6.669378682,7.027030183,0,0,92.76161773,120.3296862,124.7880974,93.20469372,77.66654732,107.350237,66.21312854,7.139912396,0,0,323.5789178,444.8255627,527.7268846,476.0769814,455.3360163,576.0966087,655.6036105,218.4264103,0,0,9.045833162,15.49833667,21.52645001,26.27952167,31.69263058,38.95649931,46.94711524,47.21084931,0,0,2.362509317,3.387415228,4.250943409,4.175138544,4.259345903,5.283090959,6.550084093,3.124308302,0,0,173.7497847,322.8172038,454.738142,593.8649743,753.0492902,930.1286139,1062.896412,1299.421922,0,0,3.145468642,4.686431591,6.477988407,6.974434916,7.267088984,8.563075774,12.02836203,7.027030183,0,0,0.486472119,0.703875269,0.891754348,0.889512086,0.918300826,1.13624445,1.420340486,0.719567891,0,0,297.2982067,150.7370022,10.56391736,97.86820334,-49.62142136,-5.052360291,199.4300033,200.3584236,15.61627765,0.752336735,0.381451961,0.026732832,0.247663265,-0.12557095,-0.012785399,117.482265,59.56620002,4.174505298,38.67422657,-19.60871894,-1.996523078,0.122372365,0.115675334,1.377927834,1.087712147,395.16641,0,1,0,729.0594248,27.00110044,9.00024454,865.5271791,29.41984329,9.530014688,1280.84199,35.78885288,10.86005069,1.800381234,1.800381234,715.4922217,616.3925228,151.2657497,1.160773688,4.730034546,4.074898145,4.359371282,4.340761948,7.720528635,0.778611389,4.231371065,4.843393602,4.797889436,11.40981788,3.859301977,7.190473533,6.122310636,9.07644779,4.42338765,4.321434605,1.918199925,4.21250798,4.367577103,3.24974088,5.79E-04,4.31E-27,8.07E-72,3.02E-138,2.19E-226,0,0,0,0,0,0,0,0,0,0,0,0.355218465,4.769353178,0.356415754,6.981740852,0.496416354,1.010263736,1.367476253,1.474789668,1.108009213,0.340452457,0.087636402,0.441713072,0.36166201,0.022888193,4.08E-06,3.04E-29,5.69E-74,2.13E-140,1.54E-228,0,0,0,0,0,0,0,0,0,0,0,1.146422436,4.774301154,1.180379765,7.623341568,0.855337158,1.858271955,2.212985113,2.709768428,1.54256222,1.044401065,0.331162167,0.851357463,1.17070362,0.238512601,4.25E-05,3.17E-28,5.93E-73,2.22E-139,1.61E-227,0,0,0,0,0,0,0,0,0,0,0,3.994075281,4.83526477,4.496751913,11.04595379,3.537564272,6.665841374,5.786983047,8.499048223,4.134745028,4.03928329,1.760098003,3.854287001,4.119277392,2.895460619,5.16E-04,3.84E-27,7.19E-72,2.69E-138,1.95E-226,0,0,0,0,0,0,0,0,0,0,0,1.689559577,4.780716059,1.770541405,8.141652018,1.198971273,2.563181016,2.830531622,3.65157199,1.912779396,1.559901552,0.53697364,1.239473349,1.728654001,0.518081235,9.22E-05,6.88E-28,1.29E-72,4.82E-139,3.50E-227,0,0,0,0,0,0,0,0,0,0,0,5.109971111,4.87757414,5.946058798,12.862388,5.182107045,9.299044939,7.414109007,11.34150185,5.589381764,5.409757888,2.555850753,5.683464476,5.290394096,4.73944165,8.44E-04,6.29E-27,1.18E-71,4.41E-138,3.20E-226,0,0,0,0,0,0,0,0,0,0,0,2.375413794,3.919233551,2.321934724,8.664242836,1.741403933,3.606731084,3.803252205,4.826192735,2.399911705,2.160744513,0.693538864,1.842422472,2.488688994,0.932642482,1.66E-04,1.24E-27,2.32E-72,8.67E-139,6.29E-227,0,0,0,0,0,0,0,0,0,0,0,6.21280456,1.656985349,0.496589371,0.742591789,0.198052861,0.57223012,0.537395831,0.363705395,8.366379281,14.20258016,27.6811117,0.613887684,1.473331345,4.433847299,0.933659656,0.196853931,0.796829571,0.167792793,0.291438973,0.170491977,0.056796641,5.564360886,5.196319187,11.57559715,0.695244357,0.518727592,5.065684711,1.190576398,0.303318002,0.772257583,0.18150195,0.380421139,0.277335656,0.135238411,6.559579111,7.928721277,16.31763694,0.658386375,0.792995206,6.160379137,1.635670346,0.487756861,0.743665277,0.197453957,0.562613115,0.523652608,0.350841249,8.283806344,13.8789261,27.07754103,0.615497915,1.437106972,5.376594724,1.316993255,0.355703143,0.76271424,0.186826339,0.428553032,0.339403247,0.186189576,7.049291122,9.461869269,19.02987264,0.644071361,0.954145855,6.380277289,1.725075618,0.524804609,0.739300213,0.199889239,0.603497677,0.58249059,0.406355342,8.630157517,15.26018736,29.66658623,0.608950319,1.592343608,6.161976284,1.637762567,0.487597401,0.743541241,0.197622314,0.562907969,0.525002313,0.350685883,8.287336251,13.89498648,27.10308456,0.615311862,1.438596165 +UMLMON0030,L,para-Cymene,CC1=CC=C(C=C1)C(C)C,7463,"""1-methyl-4-isopropylbenzene""","Sandia, UML",[1],C10H14,PubChem,,97.7,0,1.4428,2.08167184,37.0376,22.081516,0,0,20,8,12,0,8,0,0,0,0,0,0,0,0,0,1166.305736,1299.398024,1580.904369,1352.997247,718.453515,271.517065,43.433712,2.032128,0,3761.140147,4764.97461,6574.92927,6559.846865,4385.34741,2015.653849,561.7960601,62.16748886,0,140.945696,145.735712,258.444036,352.4551,306.860268,192.531556,68.382144,13.436928,0,27.64655486,35.67373172,52.49007075,56.70180285,41.31232001,20.81383108,6.452923264,0.88922581,0,3233.366673,2851.825421,5402.63841,7980.551713,7262.514506,4833.415022,1753.791207,369.835304,0,41.52777778,47.25,69.58333333,86.58333333,75.83333333,44,14,2,0,58.3152868,64.9699012,43.91401025,27.05994494,16.32848898,9.697038036,4.3433712,1.016064,0,188.0570074,238.2487305,182.6369242,131.1969373,99.66698658,71.98763746,56.17960601,31.08374443,0,7.0472848,7.2867856,7.179001,7.049102,6.974097,6.876127,6.8382144,6.718464,0,1.382327743,1.783686586,1.458057521,1.134036057,0.938916364,0.74335111,0.645292326,0.444612905,0,161.6683337,142.5912711,150.0732892,159.6110343,165.0571479,172.6219651,175.3791207,184.917652,0,2.076388889,2.3625,1.93287037,1.731666667,1.723484848,1.571428571,1.4,1,0,0.059665907,-0.006046119,-0.026354901,-0.002263706,-0.003989215,0.002108518,6.61E-04,0.006051822,0,581.1168432,3.77E-13,-198.5482548,-169.4924126,-140.4365704,130.7512897,48.4264036,38.74112288,0,1080.611585,-1.85E-13,-369.208958,-315.1783788,-261.1477996,243.1376065,90.05096538,72.0407723,0,0.1138368,1.81E-15,-0.03889424,-0.0332024,-0.02751056,0.02561328,0.0094864,0.00758912,0,4.830836567,6.05E-15,-1.650535827,-1.408993999,-1.16745217,1.086938228,0.402569714,0.322055771,0,26.2411809,7.06E-14,-8.965736809,-7.653677764,-6.341618719,5.904265704,2.186765075,1.74941206,0,5.526388889,-0.379166667,-2.016944444,-0.513194444,-0.373333333,0.485277778,-0.199305556,0.233472222,0,0.002983295,-3.02E-04,-7.32E-04,-4.53E-05,-9.07E-05,7.53E-05,6.61E-05,0.003025911,0,29.05584216,1.88E-14,-5.515229299,-3.389848252,-3.191740237,4.669688919,4.84264036,19.37056144,0,54.03057923,-9.24E-15,-10.25580439,-6.303567576,-5.935177263,8.683485947,9.005096538,36.02038615,0,0.00569184,9.06E-17,-0.001080396,-6.64E-04,-6.25E-04,9.15E-04,9.49E-04,0.00379456,0,0.241541828,3.03E-16,-0.045848217,-0.02817988,-0.026533004,0.038819222,0.040256971,0.161027886,0,1.312059045,3.53E-15,-0.249048245,-0.153073555,-0.144127698,0.210866632,0.218676508,0.87470603,0,0.276319444,-0.018958333,-0.056026235,-0.010263889,-0.008484848,0.017331349,-0.019930556,0.116736111,0,-0.10133289,-0.245393264,-0.015175876,-0.030390548,0.025241962,0.022144857,1.014284833,0,6.48E-16,-0.189814815,-0.116666667,-0.109848485,0.160714286,0.166666667,0.666666667,0,-1.71E-16,-0.189814815,-0.116666667,-0.109848485,0.160714286,0.166666667,0.666666667,0,1.59E-14,-0.189814815,-0.116666667,-0.109848485,0.160714286,0.166666667,0.666666667,0,1.25E-15,-0.189814815,-0.116666667,-0.109848485,0.160714286,0.166666667,0.666666667,0,2.69E-15,-0.189814815,-0.116666667,-0.109848485,0.160714286,0.166666667,0.666666667,0,-0.068610204,-0.202758929,-0.037145011,-0.030706665,0.062722148,-0.072128676,0.422467957,0,1.205810102,1.164891109,0.890317752,0.961711454,0.943254356,1.070101449,0.00219502,0,1.1875,1.264467593,1.06875,0.989583333,0.636160714,0.59375,0,0,1.1875,1.264467593,1.06875,0.989583333,0.636160714,0.59375,0,0,1.1875,1.264467593,1.06875,0.989583333,0.636160714,0.59375,0,0,1.1875,1.264467593,1.06875,0.989583333,0.636160714,0.59375,0,0,1.1875,1.264467593,1.06875,0.989583333,0.636160714,0.59375,0,0,1.255843177,0.957666639,0.807941694,1.127567456,1.07439055,1.031414928,0,0,31.11524086,14.9967573,23.08481968,31.11524086,3.889405108,14.99675877,1.42E-14,0.033847493,0.004230937,-2.708712267,63.94441117,7.993051396,3.326411304,31.11524086,14.9967573,23.08481968,31.11524086,3.889405108,14.99675877,1.42E-14,0.033847493,0.004230937,-2.708712267,63.94441117,7.993051396,3.326411304,31.11524086,14.9967573,23.08481968,31.11524086,3.889405108,14.99675877,1.42E-14,0.033847493,0.004230937,-2.708712267,63.94441117,7.993051396,3.326411304,31.11524086,14.9967573,23.08481968,31.11524086,3.889405108,14.99675877,1.42E-14,0.033847493,0.004230937,-2.708712267,63.94441117,7.993051396,3.326411304,31.11524086,14.9967573,23.08481968,31.11524086,3.889405108,14.99675877,1.42E-14,0.033847493,0.004230937,-2.708712267,63.94441117,7.993051396,3.326411304,31.11524086,14.9967573,23.08481968,31.11524086,3.889405108,14.99675877,1.42E-14,0.033847493,0.004230937,-2.708712267,63.94441117,7.993051396,3.326411304,45.50301444,20.7444968,32.52248752,45.37844847,5.672306059,20.74449681,-0.498263889,0.02170389,0.002712986,-3.064211013,51.98570419,6.498213024,3.160775009,0,11.9,12.10012615,-0.162179478,0.046440508,5.536277473,8.693130026,8,20,18,18,6,2,2,0,0,2,13.118484,3.679015909,3.157611942,2.70103417,2.496447331,1.423487734,1.307802683,0.825819994,0.715411956,1.98103934,1.553299992,1.301682789,1.126987185,0.609523166,0.521826739,0.286920988,0.253966958,3.69864067,3.18199023,2.741117067,2.538077935,1.518394426,1.405893885,0.95393575,0.857199501,1.935090005,1.491376703,1.215188481,1.0359309,0.466332156,0.375961041,0.12238371,0.085675254,3.785974887,3.293446743,2.919929174,2.725096874,1.913607912,1.81179333,1.462170881,1.401721248,1.803645769,1.316499227,0.955841378,0.762833406,0.012915108,0.113049281,0.447201108,0.503260648,3.713148609,3.20018282,2.770832658,2.569023332,1.58739747,1.477027072,1.045506611,0.957183717,1.906176876,1.452538739,1.159566996,0.977341432,0.370332347,0.278123574,0.01081737,0.028813008,3.829239225,3.350127247,3.007511761,2.817188315,2.089492867,1.991596949,1.677447203,1.626716298,1.763667527,1.2645633,0.874385103,0.677304845,0.182396442,0.286520677,0.657895583,0.724946792,3.701421539,3.405105604,2.726965649,2.591459732,1.632831716,1.568506348,1.151461463,1.062343049,1.963194329,1.322943397,1.177803034,0.861428495,0.297891024,0.169381454,0.110882983,0.156270393,0,0,1,3,0,0,3,1,0,0,0,0,0.102062073,0.072168784,0,0,0,0.068041382,0.03928371,0.204124145,0,0,0,0.166666667,0,0,0,0.49279928,0.594861352,0.49279928,0.331927305,0.343013034,0.244531073,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,5.137828202,3.207908119,2.280238966,1.642956339,1.031097165,0.642956339,0.15713484,0.055555556,0.642228525,0.400988515,0.253359885,0.164295634,0.103109717,0.064295634,0.03928371,0.027777778,11.25096682,19.32702112,18.35294118,18.56,12.79132695,151.6549198,0.562548341,0.966351056,0.917647059,0.928,0.639566347,7.582745988,2.38108,36.138,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,3,0,0,4,3,0,4,0,0,0,0,0,0,0,0,0,1,3,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.30537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0.948958333,0,0,1.270069444,0.983263889,0,1.329930556,0,0,0,0,0,0,0,0,0,3.750462963,3.764074074,0,6.554907407,0,0.763888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.059027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0.316319444,0,0,0.286805556,0.315902778,0,0.316319444,0,0,0,0,0,0,0,0,0,3.750462963,1.211805556,0,2.059027778,0,0.763888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.750462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0.316319444,0,0,0.333680556,0.333680556,0,0.380972222,0,0,0,0,0,0,0,0,0,3.750462963,1.305555556,0,2.25,0,0.763888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.83333333,1.854166667,0.380972222,3.750462963,0.286805556,0.763888889,5.166957778,0.569444444,0.750462963,2.610740741,0.569444444,0.750462963,2.610740741,4,0.5,0,0,0.46,0.7,0.43333,0.43333,0.7,0.02667,0.02667,0,0,0.71429,0,0,0.125,0.125,0,6,0.75,4,0.5,2,0.25,-2,-0.25,0,0,5.64851,0.70606,8.02289,2.37438,0.2968,2.85095,0.35637,3.93185,1.0809,0.13511,-0.01785,-0.00223,0.06815,0.00852,0.3,8,0,0,0,0,0,0,0.5,0.970950594,2.421127473,3.246439345,3.68418372,3.921928095,3.821928095,19.41901189,48.42254947,64.92878689,73.6836744,78.4385619,76.4385619,0.224656814,0.560196149,0.751155335,0.852439846,0.907448715,0.884310893,3.3509775,1.900800622,1.07548875,0.637744375,0.4,0.5,0.217729674,0.542922884,0.727993974,0.826155446,0.879468154,0.857043772,6.79089428,17.73048353,19.66147099,22.7159685,22.95557323,21.75557323,30.6871717,21.47656038,18.50674388,14.47790083,13.89455552,15.28771238,6.125,3.111111111,1.8,2,2,2,2.34,1.0412,0,2.00414513,0.5,0,7.732315986,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.134,0.144,0.378,0.496,3.727,9,10,10,10,4,2,0,0,0,61,2.397895273,2.564949357,2.772588722,2.890371758,3.091042453,2.564949357,2.197224577,0,0,0,4.644390899,1.68852459,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,1,0.125,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,0,129.2949596,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,108.0939004,5.404695019,15.69266546,1.961583183,0,0,0,64,7,3.605,34,1.280749009,2.281450827,3.081228069,3.871664742,4.61652788,5.896397514,6.679223504,0,0,0,96.9081344,111.6061702,90.22507573,71.03366664,50.24982516,25.42690499,6.78651855,0,0,0,337.1417183,446.1889489,426.3836898,407.1300173,359.2199492,329.8744806,207.6152764,0,0,0,9.376375108,16.4329184,21.78046047,27.04522399,31.85003568,40.31423201,44.87412266,0,0,0,2.458104447,3.497160368,3.637188018,3.761628578,3.630008953,3.79384242,2.969668964,0,0,0,179.8947276,338.658502,487.2889259,635.955461,788.6093288,1034.630595,1235.106328,0,0,0,3.095578824,4.519856975,5.49392052,6.844122256,7.64493227,8.27775053,6.679223504,0,0,0,0.506023317,0.729896801,0.771398633,0.809085685,0.793101234,0.844919823,0.683952487,0,0,0,272.9639536,133.9045536,11.67330698,83.33892637,-40.88254725,-7.321960137,189.6250272,174.7871008,18.99526712,0.76610089,0.375816647,0.032762314,0.23389911,-0.114740996,-0.02054982,97.25784279,47.71057808,4.159232897,29.69389948,-14.56656933,-2.608835484,0.116024283,0.208656493,2.656529099,4.862416296,356.30288,0,1,0,506.0291795,22.49509234,7.968780301,623.3351739,24.96668128,8.542281483,816.2124308,28.56943176,9.345468291,2.194856283,2.117278297,459.4814051,362.2262343,127.4223471,1.268492896,3.605971917,2.842721412,4.011451491,4.101031439,7.346168202,0.791297704,3.755255381,3.332840624,4.848962162,14.39556814,10.72733355,7.9963762,8.92151681,5.173402027,3.327225086,1.321264458,1.979510821,0.498781183,8.96E-06,0.09381578,2.72E-19,1.52E-58,1.64E-119,3.40E-202,1.36E-306,0,0,0,0,0,0,0,0,0,0,0,0.315296473,3.332713399,0.451471523,5.577776891,5.008351078,1.333746687,0.434455012,1.037581066,0.241956919,0.111029284,0.018238907,0.004744089,6.31E-08,6.61E-04,1.91E-21,1.07E-60,1.15E-121,2.39E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,1.017465423,3.332722253,1.247793565,6.80548632,5.862702885,2.550427212,1.580712945,1.416596189,0.715117375,0.358044424,0.156324848,0.039770733,6.58E-07,0.006885547,1.99E-20,1.11E-59,1.20E-120,2.49E-203,9.99E-308,0,0,0,0,0,0,0,0,0,0,0,3.544663561,3.332826781,4.543914511,13.6533275,10.26648741,7.537798516,8.19459077,4.755639766,3.082944261,1.247167773,1.766667277,0.445252761,7.99E-06,0.083588171,2.42E-19,1.35E-58,1.46E-119,3.03E-202,1.21E-306,0,0,0,0,0,0,0,0,0,0,0,1.499482395,3.332733413,1.824521615,7.818165337,6.542129084,3.428190234,2.5416179,1.81490395,1.086427515,0.527618411,0.328984408,0.083357814,1.43E-06,0.014956329,4.33E-20,2.42E-59,2.61E-120,5.42E-203,2.17E-307,0,0,0,0,0,0,0,0,0,0,0,4.5349821,3.332898756,6.019105877,17.37358588,12.55936972,9.751844773,11.84843186,6.907044819,4.294592879,1.59561903,2.872914708,0.723409868,1.31E-05,0.136821499,3.96E-19,2.21E-58,2.38E-119,4.95E-202,1.99E-306,0,0,0,0,0,0,0,0,0,0,0,2.096995076,2.502726556,2.656418274,7.849426833,6.846616605,4.355824418,3.595608133,2.479273396,1.775488534,0.950800634,0.589567565,0.153222222,2.61E-06,0.027288418,7.90E-20,4.41E-59,4.76E-120,9.88E-203,3.96E-307,0,0,0,0,0,0,0,0,0,0,0,3.9141034,1.760859103,0.449094939,0.639135644,0.287531448,0.466960136,0.528986003,0.274796614,6.124057442,9.440781542,18.66008421,0.458703467,1.270742753,3.212319046,1.039697761,0.139958353,0.731406469,0.236726694,0.315630169,0.18751452,0.026456514,4.39197516,3.934946191,8.794359987,0.597109704,0.529601202,3.464860442,1.303153841,0.252448946,0.690147559,0.259568447,0.366339154,0.293722921,0.08647885,5.020463229,5.718926374,11.87925875,0.535221338,0.746540925,3.893829495,1.740502528,0.440308495,0.640997518,0.286519428,0.462120853,0.517257947,0.264118268,6.074640518,9.258064333,18.31677242,0.461496277,1.243497068,3.587792391,1.429790412,0.306679198,0.67385722,0.268542459,0.392520902,0.35262598,0.127815623,5.324262001,6.668579432,13.56604167,0.51078583,0.872962505,3.978704409,1.82553739,0.477039532,0.633422418,0.290631369,0.482573805,0.56697608,0.31016508,6.281281331,10.03212645,19.77827645,0.450133627,1.359714965,3.928973683,1.736174736,0.439412464,0.643612826,0.284406163,0.470474532,0.514783445,0.263093881,6.104560883,9.310721674,18.41268408,0.465419239,1.248351857 +UMLMON0031,L,4-vinylcyclohexene,C=CC1CCC=CC1,7499,,UML,[1],C8H12,PubChem,,57.7,0,1.5147,2.29431609,40.0862,20.74793,6,6,18,8,10,0,8,0,0,0,0,0,0,0,0,0,1164.273608,1275.183848,1508.261841,1250.044159,670.955547,289.634857,56.556864,3.048192,0,3698.972658,4535.501378,5886.509572,5455.451468,3699.216372,2058.624615,707.6164209,93.25123329,0,127.508768,131.500448,215.738244,255.20326,211.604268,166.456036,82.21824,20.155392,0,26.75732905,33.4466431,45.80880489,45.12577094,33.08094513,20.37324227,8.011080479,1.333838715,0,2863.531369,2545.580326,4483.903124,5646.065419,4769.052691,4030.154205,2091.831407,554.7529561,0,39.02777778,47.16666667,67.16666667,70.66666667,55.66666667,37.5,16,3,0,64.68186711,70.84354711,50.2753947,34.72344886,22.3651849,12.06811904,4.713072,1.016064,0,205.498481,251.9722988,196.2169857,151.5403185,123.3072124,85.77602562,58.96803508,31.08374443,0,7.083820444,7.305580444,7.1912748,7.088979444,7.0534756,6.935668167,6.85152,6.718464,0,1.48651828,1.858146839,1.526960163,1.253493637,1.102698171,0.848885095,0.66759004,0.444612905,0,159.0850761,141.4211292,149.4634375,156.8351505,158.968423,167.9230919,174.3192839,184.917652,0,2.168209877,2.62037037,2.238888889,1.962962963,1.855555556,1.5625,1.333333333,1,0,0.04788747,-0.001151418,-0.01550177,-0.009323014,-0.012553398,0.005902742,0.004368538,0.004314585,0,538.0711511,3.13E-13,-76.22674641,-67.25889389,-264.5516493,-4.483926259,71.74282015,71.74282015,0,1000.566282,-7.11E-14,-141.7468899,-125.0707852,-491.9450886,-8.33805235,133.4088376,133.4088376,0,0.105404444,1.52E-15,-0.014932296,-0.013175556,-0.051823852,-8.78E-04,0.014053926,0.014053926,0,4.472996822,4.05E-15,-0.63367455,-0.559124603,-2.199223437,-0.037274974,0.596399576,0.596399576,0,24.29738973,4.44E-14,-3.442130211,-3.037173716,-11.94621662,-0.202478248,3.239651964,3.239651964,0,3.841049383,-0.137345679,-0.255144033,-0.172839506,-1.968106996,-0.172325103,0.309670782,0.475565844,0,0.002660415,-6.40E-05,-5.17E-04,-2.59E-04,-4.18E-04,2.46E-04,3.64E-04,0.001438195,0,29.89284173,1.74E-14,-2.540891547,-1.868302608,-8.81838831,-0.186830261,5.978568346,23.91427338,0,55.58701566,-3.95E-15,-4.724896331,-3.474188479,-16.39816962,-0.347418848,11.11740313,44.46961253,0,0.005855802,8.46E-17,-4.98E-04,-3.66E-04,-0.001727462,-3.66E-05,0.00117116,0.004684642,0,0.248499823,2.25E-16,-0.021122485,-0.015531239,-0.073307448,-0.001553124,0.049699965,0.198799859,0,1.349854985,2.47E-15,-0.114737674,-0.084365937,-0.398207221,-0.008436594,0.269970997,1.079883988,0,0.213391632,-0.007630316,-0.008504801,-0.004801097,-0.065603567,-0.007180213,0.025805898,0.158521948,0,-0.024044254,-0.194227463,-0.097342939,-0.157286208,0.092447074,0.136837597,0.540590514,0,5.81E-16,-0.085,-0.0625,-0.295,-0.00625,0.2,0.8,0,-7.10E-17,-0.085,-0.0625,-0.295,-0.00625,0.2,0.8,0,1.44E-14,-0.085,-0.0625,-0.295,-0.00625,0.2,0.8,0,9.06E-16,-0.085,-0.0625,-0.295,-0.00625,0.2,0.8,0,1.83E-15,-0.085,-0.0625,-0.295,-0.00625,0.2,0.8,0,-0.035757332,-0.039855364,-0.022498996,-0.307432704,-0.033648051,0.120932101,0.742868622,0,1.037989453,1.092800598,1.034797131,1.17255776,0.827777597,0.703998097,0.262700961,0,1.0625,1.08375,1.009375,1.21125,0.8765625,0.6375,0,0,1.0625,1.08375,1.009375,1.21125,0.8765625,0.6375,0,0,1.0625,1.08375,1.009375,1.21125,0.8765625,0.6375,0,0,1.0625,1.08375,1.009375,1.21125,0.8765625,0.6375,0,0,1.0625,1.08375,1.009375,1.21125,0.8765625,0.6375,0,0,1.106468461,0.985576537,0.942547208,1.268340699,0.945108477,0.737645641,0,0,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,29.58989952,14.52678098,22.56708671,29.5676773,3.695959662,14.52678306,-0.088888889,0.390319451,0.048789931,-0.752631815,44.37253524,5.546566905,3.034096562,0,11.85,12.15008271,-0.210048528,0.090052896,5.447589186,8.129630703,8,18,15,12,2,3,0,0,0,6,10.93207,3.778338104,3.075106369,2.619181914,2.448940185,1.606133526,0.941428501,0.75010044,0.300101453,1.980511646,1.597047606,1.082250302,1.02499888,0.704115424,0.310513972,0.232431167,0.083923071,3.790516618,3.108532991,2.645815032,2.486516783,1.696155841,1.053336623,0.876575401,0.439305893,1.947260401,1.520375278,1.007167592,0.937107614,0.573754293,0.150156259,0.064536432,0.270913902,3.846032039,3.261037153,2.771820215,2.652915224,2.065523568,1.517793787,1.390101534,0.95638392,1.857564115,1.292203597,0.798620231,0.686507289,0.133546331,0.396843083,0.517420027,0.943918427,3.799583847,3.133513591,2.665925019,2.51424211,1.761202509,1.134811365,0.968002687,0.536342993,1.926879097,1.471135889,0.960278991,0.881838091,0.486048778,0.041902902,0.049400346,0.399277246,3.87446845,3.33728395,2.838078588,2.735176144,2.228105818,1.721464227,1.609909583,1.207644823,1.831627387,1.221738067,0.738564276,0.610498143,0.023603472,0.594311107,0.732186947,1.161353349,3.817371663,3.127691873,2.733079799,2.555167963,1.79092411,1.237867602,1.069479236,0.607031115,1.913847807,1.444075762,0.880194891,0.827340462,0.42168787,0.074082655,0.166758469,0.527472527,0,0,0,5,1,1,1,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.49279928,0.594861352,0.49279928,0.253933894,0.253933894,0.169289262,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,5.093858127,2.971343774,1.83915195,1.251072953,0.713712832,0.407100273,0.123928341,0.045360921,0.636732266,0.371417972,0.204350217,0.125107295,0.071371283,0.040710027,0.030982085,0.022680461,10.70913902,17.43918427,16.62745098,16.8,11.99277246,135.3693593,0.594952168,0.96884357,0.923747277,0.933333333,0.666265136,7.52051996,2.249,35.82,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,2,0,0,5,0,0,0,0,0,0,0,0,1,0,1,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.86490741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.095,0,0.645277778,0,0,2.095,0,0,0,0,0,0,0,0,2.162037037,0,1.139722222,0,0,10.45518519,0,0,0,0,1.409722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.409722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0.285972222,0,0,0.406597222,0,0,0,0,0,0,0,0,2.162037037,0,1.139722222,0,0,2.040833333,0,0,0,0,1.409722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.138888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.433055556,0,0.359305556,0,0,0.433055556,0,0,0,0,0,0,0,0,2.162037037,0,1.139722222,0,0,2.138888889,0,0,0,0,1.409722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.16666667,1.895833333,0.433055556,2.162037037,0.159722222,1.139722222,4.891390926,0.360277778,0.162037037,1.234444444,0.360277778,0.162037037,1.234444444,4,0.5,0,0,0.47778,0.7,0.43333,0.43333,0.7,0.04444,0.04444,0,0,0.71429,0,0,0.125,0.125,0,10,1.25,4,0.5,6,0.75,2,0.25,0,0,3.90009,0.48751,8.02289,4.12281,0.51535,1.94966,0.24371,3.93185,1.98218,0.24777,-0.01785,-0.00223,0.06815,0.00852,0.333333333,8,0,0,0,0,0,0,0.25,0.99107606,2.234984922,2.774401919,3.308270835,3.572431251,3.308270835,17.83936908,40.2297286,49.93923455,59.54887502,64.30376252,59.54887502,0.237672394,0.535977247,0.665336168,0.793364589,0.85671355,0.793364589,3.178848942,1.934940079,1.395523082,0.861654167,0.59749375,0.861654167,0.225638533,0.508839573,0.631648775,0.753194844,0.813336311,0.753194844,6.714395846,15.53453833,19.04285928,22.48460326,22.75083074,19.58090574,29.66949396,24.70322396,20.71495057,16.56023473,15.96274098,19.54770348,6.125,3.111111111,1.8,2,6,2,2.34,0.9982,0,2.00414513,0.5,0,7.732315986,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,3.919,9,10,10,10,4,2,0,0,0,61,2.48490665,2.917770732,3.358637767,3.752440936,4.150055169,3.270044111,2.784239339,0,0,0,5.346214275,3.423155738,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,2,0.25,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,0,115.7585009,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,106.0782503,5.893236129,15.69266546,1.961583183,0,0,0,64,7,2.938,34,1.232127986,2.167551661,2.978890941,3.844102222,4.583801355,5.496638831,6.220278543,0,0,0,96.47528551,117.8734334,108.7637669,93.02847258,58.56735403,25.49527965,6.320201097,0,0,0,331.9271515,448.7318028,470.1371881,493.6253954,408.5537546,321.0277651,193.3495485,0,0,0,9.03080713,15.63249621,21.17383392,27.1566162,31.8511339,37.64554702,41.79071746,0,0,0,2.40593799,3.446635947,3.858917542,4.357022195,4.003514552,3.644726325,2.765616112,0,0,0,172.4187124,320.849613,462.9208533,608.0778515,765.0916594,959.3477307,1150.239303,0,0,0,3.327001279,4.994226217,5.987842291,7.250041466,7.308954228,7.291815075,6.220278543,0,0,0,0.494734492,0.71690508,0.812876677,0.928724972,0.869167433,0.809872067,0.636956523,0,0,0,240.0242237,105.9257391,10.65412288,81.92373705,-36.1539859,-4.781169785,158.1004867,142.079725,15.43529266,0.745537332,0.329015096,0.033092686,0.254462668,-0.112297608,-0.014850753,77.27530936,34.10257571,3.430073134,26.37518008,-11.63970204,-1.539287863,0.140554929,0.139904669,3.535345639,1.891919658,321.9479608,0,1,0,602.7210856,24.55037852,8.447057718,700.6530078,26.46985092,8.881800151,969.535829,31.1373703,9.897403764,1.77494952,1.77494952,392.1575765,320.6629682,107.029726,1.22295873,3.664006172,2.996017838,3.753839471,3.785524729,6.661528955,0.759737271,3.197416829,2.821356819,3.479769094,8.057634602,4.012685415,3.507567048,3.561349468,3.91434869,3.440288179,2.690364695,1.746453417,0.549171909,1.80E-05,4.16E-31,1.96E-78,1.86E-147,3.51E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0.268446646,2.821253369,0.277055038,3.116040792,0.963957297,1.196584823,0.262529379,0.837052438,0.540023393,0.186568429,0.07852217,0.003867863,1.27E-07,2.93E-33,1.38E-80,1.31E-149,2.47E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0.866311904,2.821260555,0.903595604,3.597640697,1.263460585,1.602435804,0.806647968,1.371286835,0.950044058,0.628105668,0.298316298,0.040306111,1.32E-06,3.06E-32,1.44E-79,1.37E-148,2.58E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,3.018107373,2.821345557,3.274078191,7.568648648,3.711846,3.342787833,3.31367691,3.692737501,3.198355708,2.512482794,1.601656158,0.489302284,1.61E-05,3.71E-31,1.75E-78,1.66E-147,3.13E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,1.27672766,2.821269624,1.341772794,4.084746305,1.564908318,1.900597874,1.218542626,1.765905043,1.285545566,0.951855291,0.485026368,0.087550259,2.87E-06,6.64E-32,3.13E-79,2.97E-148,5.59E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,3.861319036,2.821404109,4.252276169,10.07984664,5.256222143,4.144128596,4.530282411,4.772595489,4.409154262,3.376914221,2.331041178,0.800915617,2.63E-05,6.07E-31,2.86E-78,2.71E-147,5.12E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,1.701678481,2.396487163,1.769637182,4.383235991,2.061906597,2.347466492,1.728822478,2.163383445,1.757908138,1.35391928,0.72556628,0.1527946,5.01E-06,1.16E-31,5.46E-79,5.18E-148,9.76E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,4.097047474,1.517507408,0.403595622,0.680781823,0.252155111,0.572840039,0.438784969,0.282292953,6.018150504,8.483309663,17.01073518,0.521172735,1.293917961,2.958917988,0.841450761,0.169651946,0.745315507,0.211951228,0.298859634,0.13508198,0.049917895,3.970020695,3.134523747,7.526941108,0.617973261,0.483859508,3.349355568,1.073429626,0.249925534,0.716790694,0.229723107,0.382890143,0.219728722,0.108302674,4.672710729,4.700664449,10.27193183,0.575186042,0.710921538,4.061726859,1.496533368,0.396337575,0.682116071,0.251324005,0.563008438,0.426754904,0.272236872,5.954597802,8.281457156,16.64519678,0.523174107,1.262000214,3.546919407,1.190787799,0.290536081,0.705399322,0.236819846,0.429372935,0.270341065,0.146338846,5.028243287,5.600103238,11.85546295,0.558098984,0.846052846,4.210646571,1.584962358,0.426938438,0.676675696,0.254712783,0.605037913,0.478606271,0.315869851,6.222547367,9.148084542,18.21989793,0.515013544,1.399514036,4.063590645,1.497373563,0.395527447,0.682212094,0.251385152,0.563497625,0.427196243,0.271139614,5.956491655,8.284227176,16.64738991,0.523318141,1.261833482 +UMLMON0032,L,Ethylbenzene,CCC1=CC=CC=C1,7500,"[4] has MON of 124, RON from [4]; using Sand/UML, 2/3 src. have same val","Sandia, UML","[1], [4]",C8H10,PubChem,,97.9,0,1.9153,3.66837409,39.8829,19.414344,6,6,16,8,8,0,8,0,0,0,0,0,0,0,0,0,1162.24148,1250.969672,1468.892385,1209.658639,620.495067,249.249337,41.401584,2.032128,0,3636.805169,4306.028145,5449.048489,4986.906641,3178.102417,1590.079788,499.6285713,62.16748886,0,114.07184,117.265184,174.229956,206.976508,169.696812,118.229284,54.945216,13.436928,0,25.86810324,31.21955448,41.13433324,40.00668639,27.73754208,15.25415772,5.563697454,0.88922581,0,2493.696065,2239.33523,3469.782525,4447.027168,3786.727196,2831.115954,1383.955903,369.835304,0,43.77777778,50,64.66666667,68,53.66666667,32,12,2,0,72.6400925,78.1856045,61.20384937,41.71236686,25.85396112,14.66172571,5.175198,1.016064,0,227.3003231,269.1267591,227.0436871,171.962298,132.4209341,93.53410519,62.45357141,31.08374443,0,7.12949,7.329074,7.2595815,7.137120966,7.0707005,6.954663765,6.868152,6.718464,0,1.616756452,1.951222155,1.713930552,1.37954091,1.15573092,0.897303395,0.695462182,0.444612905,0,155.8560041,139.9584519,144.5742719,153.3457644,157.7802998,166.5362326,172.9944879,184.917652,0,2.736111111,3.125,2.694444444,2.344827586,2.236111111,1.882352941,1.5,1,0,0.060116247,-0.007827441,-0.01828461,-6.73E-04,-0.016138408,0.001887748,0.004369269,0.006607999,0,484.264036,2.84E-13,-121.066009,-90.79950675,-181.5990135,30.26650225,60.5330045,60.5330045,0,900.5096538,0,-225.1274134,-168.8455601,-337.6911202,56.28185336,112.5637067,112.5637067,0,0.094864,1.10E-15,-0.023716,-0.017787,-0.035574,0.005929,0.011858,0.011858,0,4.025697139,2.66E-15,-1.006424285,-0.754818214,-1.509636427,0.251606071,0.503212142,0.503212142,0,21.86765075,3.20E-14,-5.466912688,-4.100184516,-8.200369033,1.366728172,2.733456344,2.733456344,0,5.75,-1.388888889,-1.625,0.744791667,-1.319444444,-0.053819444,0.180555556,0.586805556,0,0.003757265,-4.89E-04,-7.62E-04,-2.32E-05,-6.72E-04,1.11E-04,5.46E-04,0.003304,0,30.26650225,1.78E-14,-5.044417042,-3.131017474,-7.566625562,1.780382485,7.566625562,30.26650225,0,56.28185336,0,-9.380308893,-5.822260692,-14.07046334,3.310697256,14.07046334,56.28185336,0,0.005929,6.85E-17,-9.88E-04,-6.13E-04,-0.00148225,3.49E-04,0.00148225,0.005929,0,0.251606071,1.67E-16,-0.041934345,-0.026028214,-0.062901518,0.014800357,0.062901518,0.251606071,0,1.366728172,2.00E-15,-0.227788029,-0.141385673,-0.341682043,0.080395775,0.341682043,1.366728172,0,0.359375,-0.086805556,-0.067708333,0.025682471,-0.054976852,-0.00316585,0.022569444,0.293402778,0,-0.130205091,-0.202769478,-0.006173602,-0.178968898,0.029554465,0.145360665,0.879362865,0,5.87E-16,-0.166666667,-0.103448276,-0.25,0.058823529,0.25,1,0,0,-0.166666667,-0.103448276,-0.25,0.058823529,0.25,1,0,1.16E-14,-0.166666667,-0.103448276,-0.25,0.058823529,0.25,1,0,6.62E-16,-0.166666667,-0.103448276,-0.25,0.058823529,0.25,1,0,1.46E-15,-0.166666667,-0.103448276,-0.25,0.058823529,0.25,1,0,-0.241545894,-0.188405797,0.071464268,-0.152979066,-0.008809321,0.062801932,0.816425121,0,1.079824717,1.047778526,0.888013533,1.179827091,0.997322345,0.81704671,0.008511861,0,0.9375,1.09375,1.034482759,1.171875,0.882352941,0.703125,0,0,0.9375,1.09375,1.034482759,1.171875,0.882352941,0.703125,0,0,0.9375,1.09375,1.034482759,1.171875,0.882352941,0.703125,0,0,0.9375,1.09375,1.034482759,1.171875,0.882352941,0.703125,0,0,0.9375,1.09375,1.034482759,1.171875,0.882352941,0.703125,0,0,1.25,0.942028986,0.714642679,1.219806763,1.150895141,0.97826087,0,0,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,27.86605434,13.72677795,20.99826265,27.76883211,3.471104014,13.72678277,-0.194444444,0.153109648,0.019138706,-1.501280767,43.2491459,5.406143238,3.013581988,0,11.85,12.15008271,-0.207942191,0.092213119,5.479089237,8.298380197,8,16,12,9,1,4,1,0,0,7,8.745656,3.785864566,3.119114842,2.619181914,2.405784561,1.156381864,0.941428501,0.725052607,0.280174019,1.97015401,1.510684438,1.082250302,0.923353579,0.418558502,0.310513972,0.230006578,0.083923071,3.797092469,3.142658279,2.645815032,2.436280005,1.256520403,1.053336623,0.856879173,0.423280306,1.940232039,1.448493337,1.007167592,0.84110369,0.266782494,0.150156259,0.061529565,0.270913902,3.848106914,3.251531273,2.771820215,2.579349753,1.677747189,1.517793787,1.382064135,0.955137705,1.858666052,1.274269266,0.798620231,0.609505433,0.243738908,0.396843083,0.524357009,0.943918427,3.805443782,3.160295577,2.665925019,2.459251261,1.329712097,1.134811365,0.951373269,0.523078219,1.92179759,1.409589943,0.960278991,0.789465099,0.164816966,0.041902902,0.052901622,0.399277246,3.874117747,3.30755171,2.838078588,2.653730538,1.865625664,1.721464227,1.604206803,1.207644823,1.834898222,1.223139785,0.738564276,0.541794863,0.42484266,0.594311107,0.742016485,1.165965378,3.766653884,3.288458759,2.646350658,2.472789285,1.405901381,1.174708269,1.00012017,0.545084816,1.96120136,1.311557416,0.959453141,0.757374811,0.087295333,0.018394213,0.118420625,0.48,0,0,1,6,1,0,0,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.018518519,0.204124145,0,0,0,0.096225045,0,0,0,0.49279928,0.594861352,0.49279928,0.179152493,0.174792465,0.119434995,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,4.671208396,2.607607028,1.614807748,1.035274752,0.589121682,0.33516754,0.082397958,0.02618914,0.58390105,0.325950878,0.179423083,0.103527475,0.058912168,0.033516754,0.02059949,0.01309457,10.16731122,15.55134741,14.90196078,15.04,11.19421796,119.0837988,0.635456951,0.971959213,0.931372549,0.94,0.699638623,7.442737425,2.14689,35.471,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,5,0,0,0,1,7,0,0,0,0,0,0,0,0,0,1,0,0,1,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.66666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0.45,2.25,0,0,0,0.45,3.15,0,0,0,0,0,0,0,0,0,3.630925926,0,0,1.833333333,10.0287963,0,0,0,0,1.173611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.173611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0.45,0.45,0,0,0,0.45,0.45,0,0,0,0,0,0,0,0,0,3.630925926,0,0,1.833333333,1.993055556,0,0,0,0,1.173611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.630925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0.45,0.45,0,0,0,0.45,0.45,0,0,0,0,0,0,0,0,0,3.630925926,0,0,1.833333333,2.020833333,0,0,0,0,1.173611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.66666667,2.083333333,0.45,3.630925926,0.25,1.173611111,4.901300093,0.493055556,0.630925926,1.345185185,0.493055556,0.630925926,1.345185185,4,0.5,0,0,0.5,0.7,0.43333,0.43333,0.7,0.06667,0.06667,0,0,0.71429,0,0,0.125,0.125,0,11.5,1.4375,4,0.5,7.5,0.9375,3.5,0.4375,0,0,2.74153,0.34269,8.02289,5.28136,0.66017,1.36793,0.17099,3.93185,2.56391,0.32049,-0.01785,-0.00223,0.06815,0.00852,0.375,8,0,0,0,0,0,0,0,1,1.530639062,2.280639062,3.125,3.5,3.125,16,24.490225,36.490225,50,56,50,0.25,0.382659766,0.570159766,0.78125,0.875,0.78125,3,2.469360938,1.719360938,0.875,0.5,0.875,0.231378213,0.354156531,0.527690191,0.723056916,0.809823746,0.723056916,6.503912516,12.87158126,17.41272572,23.75978129,22.76369381,18.26369381,28,26.10300624,23.43383437,17,17.5,22,6.125,3.111111111,1.8,2,8,2,2.34,0.9552,0,2.00414513,0.5,0,7.732315986,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.156,0.16,0.593,0.791,3.812,9,10,10,10,4,2,0,0,0,61,2.564949357,2.970414466,3.457892725,3.852803646,4.251170232,3.595598464,3.446011397,0,0,0,5.526945848,4.104508197,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,1,0.125,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,0,113.1220422,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,104.0626003,6.503912516,15.69266546,1.961583183,0,0,0,64,7,2.937,34,1.223143984,2.191162888,3.004142699,3.877279722,4.62405939,5.562832053,6.325978194,0,0,0,103.703345,141.1981378,128.2664022,106.1071097,71.06657574,28.49988778,6.427598708,0,0,0,348.0386033,514.7401536,528.8885067,527.4954839,448.5479303,345.239961,196.6350895,0,0,0,8.990339138,15.93392046,21.4842862,27.43612349,32.22215453,38.19597962,42.50085676,0,0,0,2.488942949,3.851643538,4.231059399,4.558736803,4.267505549,3.851316768,2.812611541,0,0,0,169.5814233,315.0228985,457.3260991,610.4049996,765.1174798,963.1673967,1169.785034,0,0,0,3.927761855,6.018668497,7.187084409,8.784626209,8.962288575,8.361660245,6.325978194,0,0,0,0.510482241,0.796921869,0.886843263,0.968473156,0.922135537,0.853092297,0.647780167,0,0,0,219.7161834,105.1911401,13.04942476,105.1642905,-50.34836961,-6.949340052,114.5518929,155.5395097,19.99876482,0.676298519,0.323784125,0.040166848,0.323701481,-0.154975056,-0.021390452,71.38149779,34.17454744,4.239503301,34.16582453,-16.35720218,-2.257704889,0.130218973,0.204979273,3.531750969,4.654244287,324.8804739,0,1,0,637.4954083,25.24867142,8.60648244,716.6901953,26.77107012,8.949054529,1018.6297,31.91597876,10.06171731,1.900871391,1.900871391,368.2596053,290.9102002,97.06016757,1.265887566,3.794137333,2.997215104,3.630487172,3.785524729,6.992606262,0.847196033,2.884614086,1.014009041,4.066987988,6.276305684,1.0109625,3.585627192,3.799295941,4.525879818,1.530518317,2.425067599,1.499623542,0.203038918,0.994548179,6.59E-12,8.43E-45,2.08E-99,9.89E-176,9.08E-274,0,0,0,0,0,0,0,0,0,0,0,0,0.242216695,1.014008084,0.309496826,0.987959533,0.373309899,2.069769955,1.213767347,1.194756836,0.122975693,0.131996748,0.079671977,0.00143002,0.007004684,4.64E-14,5.94E-47,1.46E-101,6.97E-178,6.39E-276,0,0,0,0,0,0,0,0,0,0,0,0,0.781586336,1.014008271,1.019085033,1.563948485,0.447943909,2.359024596,1.613947194,1.715180083,0.286210354,0.473229722,0.287620853,0.014901908,0.072994209,4.84E-13,6.19E-46,1.53E-100,7.26E-177,6.66E-275,0,0,0,0,0,0,0,0,0,0,0,0,2.722848411,1.014008979,3.816652323,5.77444406,0.952283143,3.485694094,3.595877568,4.265514437,1.400456013,2.2398186,1.383723913,0.180904021,0.886124522,5.88E-12,7.51E-45,1.85E-99,8.82E-176,8.09E-274,0,0,0,0,0,0,0,0,0,0,0,0,1.151846686,1.014008401,1.523237107,2.108839064,0.515664184,2.563575989,1.92653975,2.119802077,0.435106207,0.74513441,0.454687116,0.032368935,0.158553177,1.05E-12,1.34E-45,3.32E-100,1.58E-176,1.45E-274,0,0,0,0,0,0,0,0,0,0,0,0,3.483559569,1.014009273,5.016922797,8.336707167,1.250528584,3.963733918,4.603709072,5.553974947,2.061918317,3.161906464,1.961642333,0.29611318,1.450455049,9.62E-12,1.23E-44,3.03E-99,1.44E-175,1.32E-273,0,0,0,0,0,0,0,0,0,0,0,0,1.49543903,0.904323087,1.783644588,2.349905471,0.695300632,2.683067569,2.066869428,2.726270099,0.633655627,1.021951342,0.656032338,0.046780167,0.2291439,1.52E-12,1.94E-45,4.79E-100,2.28E-176,2.09E-274,0,0,0,0,0,0,0,0,0,0,0,0,3.938520537,1.568156216,0.260291614,0.68294471,0.271920378,0.515722639,0.44003137,0.218828273,5.766968367,7.609557243,14.9841427,0.524417064,1.174582282,2.714091167,0.838198403,0.096013002,0.743932586,0.229750243,0.244897178,0.124453405,0.026382271,3.648302572,2.616012867,6.482739919,0.615898879,0.395732854,3.107333258,1.072212656,0.149313944,0.717817938,0.24768939,0.320996961,0.204408245,0.067387627,4.328859857,3.955786527,8.782118942,0.576726907,0.592792832,3.89671494,1.543189623,0.254741689,0.68427691,0.27098955,0.504829981,0.426019726,0.209095838,5.694646252,7.399140534,14.62564283,0.526415365,1.139945545,3.316473559,1.196883773,0.177395442,0.707023738,0.255158144,0.365662334,0.255176493,0.097171769,4.690752774,4.770082406,10.16499457,0.560535607,0.718010596,4.074820149,1.649565551,0.278370219,0.678824894,0.27480137,0.552044524,0.487302881,0.252119165,6.002755919,8.315181445,16.18905372,0.518237341,1.291466571,3.909379121,1.53733322,0.254358235,0.685727193,0.269656935,0.508055554,0.422781929,0.208717263,5.701070576,7.39543453,14.62520278,0.528590789,1.139554745 +UMLMON0033,L,styrene,C=CC1=CC=CC=C1,7501,Sandia values from independent api report ,Sandia,,C8H8,PubChem,,100.2,0,0.9048,0.81866304,37.5993,18.456344,6,6,16,8,8,0,7,0,1,0,0,0,0,0,0,0,1273.94536,1346.769408,1566.676873,1299.358967,674.402615,265.376329,54.524736,3.048192,0,3429.679045,4064.453346,5056.735605,4502.981765,2929.701557,1672.093419,645.4489321,93.25123329,0,119.88304,122.25192,192.596596,196.115756,163.460324,127.700452,68.781312,20.155392,0,23.72240724,28.32043448,36.27456577,33.94724362,24.24120362,15.7889257,7.121854669,1.333838715,0,2552.352995,2292.433175,3835.778413,4041.290719,3507.564322,3016.300231,1721.996103,554.7529561,0,47.02777778,51.5,72.83333333,68.66666667,51.66666667,31.5,14,3,0,79.621585,84.173088,62.66707492,49.97534488,30.65466432,14.74312939,5.4524736,1.016064,0,214.3549403,254.0283341,202.2694242,173.1916063,133.1682526,92.89407882,64.54489321,31.08374443,0,7.49269,7.640745,7.70386384,7.542913692,7.430014727,7.094469556,6.8781312,6.718464,0,1.482650452,1.770027155,1.450982631,1.305663216,1.101872892,0.877162539,0.712185467,0.444612905,0,159.5220622,143.2770734,153.4311365,155.4342584,159.4347419,167.572235,172.1996103,184.917652,0,2.939236111,3.21875,2.913333333,2.641025641,2.348484848,1.75,1.4,1,0,0.170369255,-0.043221815,-0.03926932,0.006435707,-0.022354319,-0.00927398,0.012598153,0.009900947,0,543.054135,20.945973,-72.07837669,-131.6542736,-262.9447669,-2.618246625,77.60924662,99.21337669,0,844.7408722,-46.18524912,13.3734264,-213.728811,-415.2253393,5.773156141,80.88520285,152.7371779,0,1.007631,0.018387,-0.305412937,-0.172315875,-0.192343125,-0.002298375,0.096500625,0.053667187,0,3.861248463,-0.482480838,0.348461208,-0.954988721,-1.708400336,0.060310105,0.206098889,0.600375462,0,21.56644259,-3.103814896,2.262620707,-5.25843266,-9.086578759,0.387976862,0.883320451,3.131686999,0,7.442708333,-0.144097222,-1.896592882,-0.705512153,-2.697265625,-0.253255208,0.990668403,0.984700521,0,0.010648078,-0.002701363,-0.001570773,2.48E-04,-0.001016105,-5.15E-04,0.001259815,0.003300316,0,33.94088344,1.309123313,-2.883135067,-5.063625909,-11.95203486,-0.145458146,7.760924662,33.07112556,0,52.79630451,-2.88657807,0.534937056,-8.220338883,-18.87387906,0.320730897,8.088520285,50.91239262,0,0.062976938,0.001149188,-0.012216517,-0.006627534,-0.008742869,-1.28E-04,0.009650062,0.017889062,0,0.241328029,-0.030155052,0.013938448,-0.036730335,-0.077654561,0.003350561,0.020609889,0.200125154,0,1.347902662,-0.193988431,0.090504828,-0.20224741,-0.413026307,0.02155427,0.088332045,1.043895666,0,0.465169271,-0.009006076,-0.075863715,-0.027135083,-0.122602983,-0.014069734,0.09906684,0.328233507,0,-0.253694924,-0.14751702,0.023246185,-0.095426177,-0.0483863,0.118313864,0.309944705,0,0.038570691,-0.084945787,-0.149189573,-0.352142715,-0.004285632,0.228660066,0.97437433,0,-0.054673866,0.010132093,-0.155699134,-0.357484851,0.006074874,0.153202395,0.964317353,0,0.018247751,-0.193983988,-0.105237471,-0.138826524,-0.002027528,0.153231689,0.284057358,0,-0.124954621,0.057757271,-0.152200868,-0.321780114,0.013883847,0.085401969,0.829266102,0,-0.143918724,0.067144929,-0.150046005,-0.306421464,0.015990969,0.065532955,0.774459236,0,-0.019360858,-0.163088407,-0.058333782,-0.263566385,-0.030246482,0.212969443,0.705621647,0,1.158205327,1.46756067,1.083418225,1.067530584,0.629391909,0.178585127,0.003415232,0,0.863463951,1.058821854,1.091649861,1.280147627,0.915545735,0.6688063,0,0,1.037624036,0.912888206,1.079910675,1.262355741,0.929509189,0.799514103,0,0,0.855342878,1.56891362,1.206063071,1.146408574,0.54483073,0.070609181,0,0,1.160356841,0.90327782,1.092730885,1.224889528,0.870797283,0.781942132,0,0,1.192244431,0.915147457,1.099312093,1.211313994,0.844979528,0.76047489,0,0,0.871238628,1.308887334,1.059374495,1.245626312,0.797760672,0.403079076,0,0,22.61050027,11.43025014,17.04465439,22.79800027,2.849750034,11.43029839,0.25,0.135029887,0.016878736,-1.601807311,47.9674372,5.99592965,3.096417911,22.61899796,11.43413177,17.05094403,22.80594715,2.850743393,11.43417983,0.249265579,0.135437054,0.016929632,-1.599398637,47.94204961,5.992756201,3.095994385,30.30456665,14.95278609,23.16382983,30.20481803,3.775602254,14.95278735,-0.398994478,0.399477746,0.049934718,-0.734077777,43.0990853,5.387385662,3.010801419,22.62791705,11.43820592,17.05754718,22.81428815,2.851786018,11.43825377,0.2484948,0.135864135,0.016983017,-1.596879922,47.91573316,5.989466645,3.095555127,38.62629667,18.7720012,30.20860857,38.3557231,4.794465388,18.77200123,-1.082294264,0.535704345,0.066963043,-0.499338292,31.49186427,3.936483034,2.759783388,23.50330425,11.83821922,17.71328539,23.63315489,2.954144361,11.83825066,0.173134186,0.176367443,0.02204593,-1.388148572,46.73298945,5.841623681,3.075560262,21.95815569,10.99997319,16.38868148,22.10545212,2.763181514,11.00005364,0.413605442,0.065440248,0.008180031,-2.181294239,50.14853684,6.268567105,3.131991471,0,11.85,15.99491639,-0.348675213,0.105164645,4.660590023,7.342634063,8,16,13,10,2,3,0,0,0,6,10.661656,3.766842139,2.984172865,2.619181914,2.445171661,1.228883067,0.941428501,0.690660533,0.107770261,1.929136121,1.419804803,1.082250302,0.967287576,0.310513972,0.239550769,0.083923071,0.083923071,3.755775342,2.88551421,2.645815032,2.48201622,1.091979087,1.053336623,0.76719018,0.270913902,1.914982218,1.38838197,1.007167592,0.904292275,0.150156259,0.08379992,0.107436056,0.270913902,3.826651508,3.138270217,2.771820215,2.651594666,1.562583604,1.517793787,1.336607129,0.943918427,1.816325779,1.064557485,0.798620231,0.681602348,0.396843083,0.472373782,0.680741196,0.943918427,3.758630551,2.873051932,2.665925019,2.51148735,1.134811365,1.104720884,0.828417247,0.399277246,1.906589605,1.370157479,0.960278991,0.861166487,0.041902902,0.003678515,0.135275596,0.399277246,3.84717544,3.188769109,2.838078588,2.728062377,1.721464227,1.684105313,1.523663297,1.207644823,1.795444599,1.006587679,0.738564276,0.610165105,0.594311107,0.634761391,0.845625821,1.207644823,3.81268455,3.172827911,2.705142425,2.529043438,1.555473184,1.217490681,1.024048234,0.512195122,1.860148589,1.176597971,0.905650187,0.824167992,0.056187812,0.135938595,0.423581568,0.512195122,0,0,0,6,0,0,0,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.01309457,0.204124145,0,0,0,0.068041382,0,0,0,0.49279928,0.594861352,0.49279928,0.146608802,0.146608802,0.097739201,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,4.794999636,2.523056038,1.517176675,0.978907426,0.556577991,0.316378431,0.071550061,0.02618914,0.599374955,0.315382005,0.168575186,0.097890743,0.055657799,0.031637843,0.017887515,0.01309457,9.88211032,15.8820102,15.25098039,15.44,10.67445749,120.4956251,0.617631895,0.992625637,0.953186275,0.965,0.667153593,7.530976572,2.19599,35.055,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,1,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,5,0,0,0,0,0,0,0,0,1,0,0,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.914166667,10.59046296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.482222222,0,0,0,0,2.482222222,0,0,0,0,0,0,0,0,1.662037037,0,0,0,0,9.680740741,0,0,0,0,0.909722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.914166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.914166667,0.909722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.473055556,0,0,0,0,0.473055556,0,0,0,0,0,0,0,0,1.662037037,0,0,0,0,1.916666667,0,0,0,0,0.909722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.914166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.914166667,1.960833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.517708333,0,0,0,0,0.517708333,0,0,0,0,0,0,0,0,1.662037037,0,0,0,0,1.960833333,0,0,0,0,0.909722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.914166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.16666667,2.145833333,0.535972222,4.914166667,0.272083333,0.909722222,3.794485926,0.756944444,1.414166667,2.828333333,0.756944444,1.414166667,2.828333333,3.83333,0.47917,0,0.02083,0.54792,0.79583,0.43333,0.4803,0.79583,0.11458,0.06761,-0.04697,0,0.60209,0.1122,0,0.13043,0.13043,0,11,1.375,4.5,0.5625,6.5,0.8125,2,0.25,0.5,0.0625,3.01453,0.37682,8.02289,5.00837,0.62605,1.44723,0.1809,3.93185,2.48462,0.31058,-0.01785,-0.00223,0.06815,0.00852,0.375,8.01,0,1,1,1,0,0,0.142857143,1.271782222,2.251614472,2.555036533,3.155639062,3.452819531,3.155639062,20.34851555,36.02583155,40.88058452,50.490225,55.2451125,50.490225,0.317945555,0.562903618,0.638759133,0.788909766,0.863204883,0.788909766,2.728217778,1.748385528,1.444963467,0.844360938,0.547180469,0.844360938,0.299388871,0.530050116,0.601478374,0.742865563,0.812824494,0.742865563,10.76402783,17.27636205,20.91742678,24.78938876,25.08889467,21.52272905,27.91485331,24.71237006,21.63119751,17.46691719,16.85845859,20.50921015,6.125,3.111111111,1.8,2,7,0,2.12,0.916,0,1.34123076,0.5,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.344,0.35,0.738,0.678,3.78,9,10,10,10,4,2,0,0,0,61,2.48490665,2.917770732,3.358637767,3.752440936,4.150055169,3.270044111,2.784239339,0,0,0,5.346214275,3.423155738,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,2,0.25,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,9.23,107.252743,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,108.0575149,6.75359468,15.69266546,1.961583183,2.761188405,2.761188405,0,64,7,1.267,34,1.230581484,2.153332839,2.997369304,3.834379809,4.328101472,5.260649928,6.027313303,0,0,0,112.7327021,144.4420694,154.413897,123.1832738,69.10432689,28.37859096,6.124136064,0,0,0,329.6805758,456.9908928,526.1777068,514.9408208,424.6835529,337.24793,187.3514663,0,0,0,9.47510871,16.63935364,22.68066968,28.63184122,30.90452194,36.17246469,40.49428744,0,0,0,2.256138535,3.242158557,3.948755066,4.20255789,3.946423903,3.72816518,2.679821276,0,0,0,175.1584146,327.4747931,462.9757421,614.6039907,719.4668832,906.7561203,1114.556624,0,0,0,4.122105605,6.454405824,8.117356653,9.129328364,7.894312679,7.33741344,6.027313303,0,0,0,0.499724428,0.732961502,0.902554042,0.967369107,0.877300444,0.824453212,0.617196882,0,0,0,224.1649731,132.9296361,13.21739452,85.9321393,-50.95768461,-10.74798404,138.2328338,183.8873207,23.96537856,0.722886361,0.42867099,0.042623404,0.277113639,-0.164328149,-0.034660058,69.51291087,41.2210963,4.098675874,26.64730826,-15.80183085,-3.332918815,0.12672565,0.587953769,0.737289899,12.50795909,288.8234005,21.2737119,0.931396614,0.068603386,678.6363847,26.05065037,8.787777387,757.1942348,27.51716255,9.114561218,1091.059634,33.03119183,10.29475849,1.741276564,1.741276564,372.7513824,299.2814426,101.2476025,1.24548779,3.68158231,2.955936093,3.612210444,3.785524729,6.494290706,0.715558918,2.639619182,1.378629535,5.135810553,6.836322367,2.049408197,3.753677201,3.065173644,2.967191568,4.03719978,1.108196692,0.009307524,1.683519806,7.84E-12,1.18E-44,3.46E-99,1.95E-175,2.11E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0.221638872,1.546206441,0.488022997,1.620528328,0.194008258,1.956249937,2.181725602,0.644368576,0.146598501,0.090605565,4.08E-04,0.011857168,5.52E-14,8.34E-47,2.43E-101,1.37E-177,1.49E-275,0,0,0,0,0,0,0,0,0,0,0,0,0,0.715198302,1.234577282,1.175624585,1.761882495,0.572652645,1.605088808,1.869958519,0.94783167,0.577983743,0.294065399,0.001562332,0.123560829,5.76E-13,8.69E-46,2.54E-100,1.43E-176,1.55E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,2.491593233,1.545571343,5.588748009,6.799576713,1.935867367,4.038573736,3.272307093,3.160108531,3.720866175,1.044396953,0.00852847,1.499985838,6.99E-12,1.05E-44,3.08E-99,1.73E-175,1.88E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,1.054012032,1.116155784,1.514952581,2.069939831,0.832585682,1.610669343,1.824482428,1.106551597,0.969106745,0.434996576,0.002551485,0.268390631,1.25E-12,1.89E-45,5.51E-100,3.10E-176,3.37E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,3.187697601,1.484374546,6.848952979,9.289612263,2.470127018,4.546893118,3.542081854,3.887645492,5.552878801,1.346129392,0.012457944,2.455255417,1.14E-11,1.73E-44,5.04E-99,2.84E-175,3.08E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,1.385034939,1.74771407,3.558863509,4.037860328,0.914311629,3.646996579,3.195265337,2.124295631,1.505215827,0.573275924,0.003609534,0.441661056,2.06E-12,3.11E-45,9.06E-100,5.10E-176,5.54E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,3.886035496,1.562935907,0.210799764,0.686606469,0.276148251,0.542804265,0.432429203,0.321093812,5.659771167,7.222266299,14.16235606,0.529909703,1.296327279,2.643742926,0.815318523,0.159029343,0.730701101,0.22534496,0.254181544,0.117503888,0.135926634,3.618090792,2.705584849,6.66646221,0.596051652,0.507612066,3.036045754,1.098539839,0.15875721,0.707151954,0.255870516,0.331433925,0.213520983,0.173172304,4.293342803,3.991612487,8.814445069,0.560727932,0.718127212,3.820715063,1.510553917,0.217576846,0.688560321,0.272228489,0.524696025,0.403856776,0.332784415,5.548845826,6.931356795,13.73592478,0.532840481,1.261337216,3.266599182,1.245145097,0.16044903,0.69915754,0.266501194,0.383499388,0.274425699,0.186551448,4.672193308,4.791294946,10.11609703,0.548736311,0.844476535,4.01206714,1.626291966,0.221905301,0.684622205,0.277511705,0.578590121,0.468201849,0.35505202,5.860264407,7.775974331,15.08412479,0.526933308,1.40184399,3.835173888,1.528663366,0.211235035,0.687914647,0.274196152,0.528651267,0.41364587,0.319118945,5.575072289,6.995720176,13.80919796,0.531871971,1.261416082 +UMLMON0034,L,Methoxybenzene,COC1=CC=CC=C1,7519,"""methoxybenzene""; ""methyl phenyl ether""","Sandia, UML",[1],C7H8O,PubChem,,91,0,0.998,0.996004,25.5026,12.800758,0,0,11,5,6,0,5,0,0,0,0,0,0,0,0,0,727.416989,793.963133,867.621725,152.397504,7.112448,0,0,0,0,2304.086975,2806.004207,3525.50765,1594.425607,217.586211,0,0,0,0,78.013364,80.408372,129.832628,132.440832,47.029248,0,0,0,0,16.61217743,20.62576586,27.75164462,16.47482205,3.112290334,0,0,0,0,1743.477693,1552.707067,2656.360005,3131.894137,1294.423564,0,0,0,0,24.25,29,42,30,7,0,0,0,0,66.12881718,72.17846664,48.20120694,8.020921263,1.016064,0,0,0,0,209.4624523,255.0912915,195.8615361,83.91713723,31.08374443,0,0,0,0,7.092124,7.309852,7.212923778,6.970570105,6.718464,0,0,0,0,1.510197948,1.875069624,1.541758035,0.867095898,0.444612905,0,0,0,0,158.4979721,141.1551879,147.5755558,164.8365335,184.917652,0,0,0,0,2.204545455,2.636363636,2.333333333,1.578947368,1,0,0,0,0,0.038385726,-0.001000188,-0.018250679,-0.018915241,0.018973244,0,0,0,0,330.1800245,-1.42E-14,-155.084557,-185.1009229,175.0954676,0,0,0,0,613.9838548,2.13E-13,-288.3863561,-344.2030701,325.5974988,0,0,0,0,0.06468,5.20E-16,-0.03038,-0.03626,0.0343,0,0,0,0,2.744793504,-1.28E-15,-1.289221191,-1.538747874,1.455572313,0,0,0,0,14.90976188,2.98E-14,-7.003069973,-8.358502871,7.906691905,0,0,0,0,2.409090909,0.113636364,-1.169421488,-1.320247934,1.171487603,0,0,0,0,0.003489611,-9.09E-05,-0.001013927,-9.96E-04,0.002710463,0,0,0,0,30.01636587,-1.29E-15,-8.615808721,-9.742153834,25.01363822,0,0,0,0,55.81671408,1.94E-14,-16.02146423,-18.11595106,46.5139284,0,0,0,0,0.00588,4.73E-17,-0.001687778,-0.001908421,0.0049,0,0,0,0,0.249526682,-1.16E-16,-0.0716234,-0.08098673,0.207938902,0,0,0,0,1.355432898,2.70E-15,-0.389059443,-0.439921204,1.129527415,0,0,0,0,0.219008264,0.010330579,-0.06496786,-0.069486733,0.167355372,0,0,0,0,-0.02605624,-0.290555721,-0.285286483,0.776723542,0,0,0,0,-4.30E-17,-0.287037037,-0.324561404,0.833333333,0,0,0,0,3.47E-16,-0.287037037,-0.324561404,0.833333333,0,0,0,0,8.05E-15,-0.287037037,-0.324561404,0.833333333,0,0,0,0,-4.65E-16,-0.287037037,-0.324561404,0.833333333,0,0,0,0,2.00E-15,-0.287037037,-0.324561404,0.833333333,0,0,0,0,0.047169811,-0.296645702,-0.317279047,0.764150943,0,0,0,0,0.996870989,1.245779149,1.117965934,0.052720243,0,0,0,0,1,1.222222222,1.157894737,0,0,0,0,0,1,1.222222222,1.157894737,0,0,0,0,0,1,1.222222222,1.157894737,0,0,0,0,0,1,1.222222222,1.157894737,0,0,0,0,0,1,1.222222222,1.157894737,0,0,0,0,0,0.943396226,1.268343816,1.146971202,0,0,0,0,0,9.62054032,4.81027016,7.428304149,9.62054032,1.924108064,4.833017639,-1.78E-15,3.33E-16,6.66E-17,-17.81909414,2000006.919,400001.3839,7.254330599,9.62054032,4.81027016,7.428304149,9.62054032,1.924108064,4.833017639,-1.78E-15,3.33E-16,6.66E-17,-17.81909414,2000006.919,400001.3839,7.254330599,9.62054032,4.81027016,7.428304149,9.62054032,1.924108064,4.833017639,-1.78E-15,3.33E-16,6.66E-17,-17.81909414,2000006.919,400001.3839,7.254330599,9.62054032,4.81027016,7.428304149,9.62054032,1.924108064,4.833017639,-1.78E-15,3.33E-16,6.66E-17,-17.81909414,2000006.919,400001.3839,7.254330599,9.62054032,4.81027016,7.428304149,9.62054032,1.924108064,4.833017639,-1.78E-15,3.33E-16,6.66E-17,-17.81909414,2000006.919,400001.3839,7.254330599,9.62054032,4.81027016,7.428304149,9.62054032,1.924108064,4.833017639,-1.78E-15,3.33E-16,6.66E-17,-17.81909414,2000006.919,400001.3839,7.254330599,10.53766741,5.086188389,7.865563444,10.52433408,2.104866815,5.104545384,-0.066666667,0,0,0,2000007.898,400001.5796,7.254330844,0,11.8,12.2000303,-0.273112479,0.127188109,6.161157018,6.565168448,5,11,9,9,3,2,2,0,0,2,6.559242,3.667553189,2.426821709,2.197250276,0.832506146,0.679380678,0.083923071,0.214869462,0.342898638,1.622825513,1.595457607,0.607845426,0.342898638,0.214869462,0.083923071,0.679380678,0.832506146,3.684026951,2.457362652,2.247566164,0.961630182,0.820279949,0.270913902,0.043564548,0.186448751,1.564090626,1.549366047,0.472826418,0.186448751,0.043564548,0.270913902,0.820279949,0.961630182,3.75804736,2.602811579,2.474115979,1.471018255,1.366485912,0.943918427,0.558628764,0.341106848,1.422567485,1.397041684,0.033013394,0.341106848,0.558628764,0.943918427,1.366485912,1.471018255,3.69624093,2.480489252,2.285044829,1.053690909,0.920086984,0.399277246,0.073150218,0.081212006,1.527166285,1.520809738,0.383128865,0.081212006,0.073150218,0.399277246,0.920086984,1.053690909,3.795188656,2.67944162,2.585009677,1.686053834,1.593259861,1.207644823,0.786651143,0.528203203,1.385615038,1.346925969,0.116957127,0.528203203,0.786651143,1.207644823,1.593259861,1.686053834,3.716556031,2.547412463,2.264985939,1.15084209,1.03162355,0.526315789,0.192369689,0.031534905,1.541164691,1.452676181,0.309904847,0.031534905,0.192369689,0.526315789,1.03162355,1.15084209,0,0,0,4,0,0,1,0,0,0,0,0.176776695,0,0,0,0,0.07856742,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.535533906,2.5,1.767766953,1.25,0.883883476,0,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0,0,0,3.016507858,1.816496581,1.092006961,0.655442165,0.392837101,0,0,0,0.603301572,0.363299316,0.218401392,0.131088433,0.07856742,0,0,0,6.625483411,10.66351056,10.17647059,10.28,7.395663473,82.57015449,0.602316674,0.969410051,0.92513369,0.934545455,0.672333043,7.506377681,1.35488,22.357,14,18.61803399,28,5.6,14.000001,1.11E-16,2.22E-17,-18.36840028,19.22543377,3.845086753,1.478117039,20,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,1,0,4,0,0,0,0,0,0,0,0,0,0,1,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.619444444,0,0,0,0.380555556,0,1.619444444,0,0,0,0,0,0,0,0,0,0,1.138888889,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.3875,0,0,0,0.380555556,0,0.3875,0,0,0,0,0,0,0,0,0,0,1.138888889,0,2.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,0,0,0.380555556,0,0.422222222,0,0,0,0,0,0,0,0,0,0,1.138888889,0,2.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.5,1.9,0.422222222,2.125,0.380555556,1.138888889,2.890055556,0.361111111,0.125,0.722222222,0.361111111,0.125,0.722222222,2.5,0.5,0,0,0.48182,0.7,0.43333,0.43333,0.7,0.04848,0.04848,0,0,0.71429,0,0,0,0,0,5.5,1.1,2.5,0.5,3,0.6,0.5,0.1,0,0,1.84868,0.36974,3.75,1.90132,0.38026,1.23246,0.24649,2.5,1.26754,0.25351,-0.086,-0.0172,0,0,0.454545455,5,0,0,0,0,0,0,0.2,0.994030211,2.186704346,2.55034071,2.55034071,2.55034071,2.55034071,10.93433233,24.05374781,28.05374781,28.05374781,28.05374781,28.05374781,0.28733917,0.632099312,0.737213794,0.737213794,0.737213794,0.737213794,2.465401407,1.272727273,0.909090909,0.909090909,0.909090909,0.909090909,0.26862489,0.590930947,0.689199367,0.689199367,0.689199367,0.689199367,6.685280239,15.49151432,15.85799615,15.85799615,15.85799615,15.85799615,18.37331062,15.63617634,15.30204426,15.30204426,15.30204426,15.30204426,3.2,1.44,0.64,0,4,0,2.01,0.6185,0,0,0,0,7.071067812,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.115,0.112,0.477,0.52,2.505,5,5,5,0,0,0,0,0,0,25,2.079441542,2.302585093,2.564949357,2.833213344,0,0,0,0,0,0,3.912023005,1.96,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,8.618033989,12,2.4,6.006204681,0,0,0,13.96759521,2.793519041,1.318370009,0,77.40700573,3.321928095,3.044522438,3.713572067,4.394449155,5.081404365,5.771441123,6.463029457,7.155396302,7.848153086,8.541105011,62.013073,2.397895273,0,3.433987204,2.397895273,4.615120517,4.262679877,5.860786223,5.888877958,7.147559271,7.6989362,66.04695019,6.004268199,9.6875,1.9375,0,0,0,15,0,2.074,20,1.244407197,2.197825853,3.026067712,4.182732976,0,0,0,0,0,0,99.86866233,109.3267203,25.7809415,4.249924399,0,0,0,0,0,0,340.9171812,439.607417,265.3210956,130.0150029,0,0,0,0,0,0,9.128588657,15.87127804,21.14772958,28.10154092,0,0,0,0,0,0,2.460744665,3.44263887,2.714908475,1.859697059,0,0,0,0,0,0,173.6525284,323.0451618,494.4803382,773.461161,0,0,0,0,0,0,3.402685203,5.186608955,4.897622834,4.182732976,0,0,0,0,0,0,0.505599503,0.718170762,0.59157297,0.428311857,0,0,0,0,0,0,179.5646658,55.28408616,9.194608437,93.30814888,-28.72756575,-5.64981386,86.25651692,84.01165191,14.8444223,0.658052602,0.202600198,0.033695582,0.341947398,-0.105278226,-0.020704935,48.99831577,15.0855242,2.508958684,25.46125722,-7.838971724,-1.54168061,0.199585414,0.260744154,5.836944841,5.403834276,272.8728147,0,1,0,363.0319831,19.0533982,7.133701989,422.0034487,20.54272253,7.500761101,501.1588456,22.38657735,7.943132371,1.133512128,1.048099936,114.7216476,59.87829147,58.17281505,1.915913845,1.972083481,1.029317412,2.647276617,3.35080253,4.40119956,0.313476256,2.000046889,2.526586398,0.919070024,1.262229075,3.696185317,1.050895639,3.295245943,0.687421678,2.85E-16,3.70E-53,9.72E-112,4.95E-192,4.87E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.167859467,2.526543846,0.077225862,0.123608814,0.308597818,0.088194389,0.023208687,0.004841567,2.01E-18,2.60E-55,6.84E-114,3.49E-194,3.43E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.541847981,2.52654683,0.244183682,0.201304259,0.997243949,0.284702238,0.241852409,0.050452862,2.09E-17,2.71E-54,7.13E-113,3.64E-193,3.58E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.887881688,2.526581776,0.865806361,1.137788314,3.487797523,0.991959758,2.936004809,0.61248034,2.54E-16,3.29E-53,8.66E-112,4.41E-192,4.34E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.798579371,2.526550571,0.36024412,0.300579681,1.470819016,0.419598716,0.525335749,0.109590358,4.55E-17,5.89E-54,1.55E-112,7.90E-193,7.77E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.415344142,2.526605803,1.118241779,1.785124959,4.468889348,1.269108678,4.805806516,1.002539913,4.16E-16,5.39E-53,1.42E-111,7.22E-192,7.11E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.030807127,2.277282755,0.499739845,0.445046473,2.041987185,0.558975927,0.912810511,0.190421518,7.90E-17,1.02E-53,2.69E-112,1.37E-192,1.35E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.646769263,1.53316925,0.150158338,0.494510922,0.460397796,0.56623166,0.462128292,0.181815026,3.330096851,3.002270278,6.711483296,0.432363076,1.210174978,0.881312778,0.869428492,0.025188273,0.49625436,0.489562491,0.150020099,0.156808078,0.005116061,1.775929544,0.81033659,2.605566357,0.478725276,0.311944237,1.133241594,1.101845585,0.067539856,0.492151606,0.478516741,0.26808059,0.239667391,0.036783705,2.302627035,1.399614714,3.78657588,0.456002521,0.544531686,1.622223093,1.512558716,0.146209804,0.494430734,0.461006578,0.549478585,0.449812919,0.172378864,3.280991614,2.912043514,6.551791248,0.433155969,1.171670368,1.267686177,1.214824659,0.089174764,0.492939797,0.472384594,0.33554431,0.290672939,0.064123577,2.571685599,1.761393744,4.470409945,0.447986587,0.690340826,1.725909704,1.599619546,0.162888894,0.49475425,0.45855155,0.62195895,0.502973903,0.213950517,3.488418143,3.302490677,7.240612298,0.4299587,1.33888337,1.619455252,1.513634795,0.145982148,0.493876059,0.461604596,0.547610813,0.450614036,0.171842437,3.279072195,2.908639034,6.545551987,0.433220982,1.170067287 +UMLMON0035,L,"1,3-cyclopentadiene",C1C=CC=C1,7612,,UML,[1],C5H6,PubChem,,86.1,0,1.0335,1.06812225,43.4114,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1701.970378,1446.800888,977.687261,648.773499,289.634857,56.556864,3.048192,4184.657049,5188.491512,6800.056683,6462.249813,4847.489258,3531.910628,2058.624615,707.6164209,93.25123329,148.486212,153.276228,258.467752,318.08816,274.113716,210.805932,166.456036,82.21824,20.155392,30.43545486,38.46263172,53.49649503,54.1472998,42.43996687,31.74308232,20.37324227,8.011080479,1.333838715,3360.161029,2978.619777,5408.105323,7125.020574,6285.269863,4832.6429,4030.154205,2091.831407,554.7529561,43.27777778,52.41666667,76.33333333,82.83333333,67.66666667,53.5,37.5,16,3,62.40808843,68.74581643,47.27695494,32.15113084,25.06890413,21.6257833,12.06811904,4.713072,1.016064,199.2693833,247.0710244,188.8904634,143.6055514,124.2945964,117.7303543,85.77602562,58.96803508,31.08374443,7.070772,7.298868,7.179659778,7.068625778,7.028556821,7.0268644,6.935668167,6.85152,6.718464,1.449307374,1.831553891,1.486013751,1.203273329,1.088204279,1.058102744,0.848885095,0.66759004,0.444612905,160.0076681,141.839037,150.2251479,158.3337905,161.1607657,161.0880967,167.9230919,174.3192839,184.917652,2.060846561,2.496031746,2.12037037,1.840740741,1.735042735,1.783333333,1.5625,1.333333333,1,0.052276906,-0.001172414,-0.019610677,-0.009912737,-0.001743149,-0.001491751,2.81E-06,0.003530592,0.004258875,622.6251891,4.05E-13,-116.1245392,-54.35616731,-84.00498584,-163.0685019,-19.76587902,59.29763706,66.70984169,1157.798126,-2.84E-14,-215.9385394,-101.0776142,-156.2108583,-303.2328426,-36.75549607,110.2664882,124.0497992,0.121968,1.88E-15,-0.022748,-0.010648,-0.016456,-0.031944,-0.003872,0.011616,0.013068,5.175896322,1.02E-14,-0.965345743,-0.451863965,-0.698335218,-1.355591894,-0.164314169,0.492942507,0.55456032,28.11555097,4.40E-14,-5.243773395,-2.454532227,-3.793367988,-7.363596682,-0.892557174,2.677671521,3.012380461,4.145502646,0.088624339,-0.143613001,-0.534013605,-0.489795918,-1.168178382,-0.364701436,0.139077853,0.399848828,0.002489376,-5.58E-05,-5.45E-04,-2.20E-04,-4.47E-05,-4.97E-05,1.17E-07,2.94E-04,0.001419625,29.64881853,1.93E-14,-3.225681646,-1.207914829,-2.153973996,-5.435616731,-0.823578293,4.941469755,22.2366139,55.13324411,-1.35E-15,-5.998292762,-2.246169204,-4.005406623,-10.10776142,-1.531479003,9.188874018,41.34993308,0.005808,8.94E-17,-6.32E-04,-2.37E-04,-4.22E-04,-0.0010648,-1.61E-04,9.68E-04,0.004356,0.246471253,4.84E-16,-0.02681516,-0.010041421,-0.017906031,-0.045186396,-0.006846424,0.041078542,0.18485344,1.33883576,2.09E-15,-0.145660372,-0.054545161,-0.097265846,-0.245453223,-0.037189882,0.223139293,1.00412682,0.197404888,0.004220207,-0.00398925,-0.011866969,-0.01255887,-0.038939279,-0.015195893,0.011589821,0.133282943,-0.022427003,-0.218826293,-0.088489248,-0.017954752,-0.019974893,4.70E-05,0.118188631,0.570273371,6.50E-16,-0.108796296,-0.040740741,-0.072649573,-0.183333333,-0.027777778,0.166666667,0.75,-2.45E-17,-0.108796296,-0.040740741,-0.072649573,-0.183333333,-0.027777778,0.166666667,0.75,1.54E-14,-0.108796296,-0.040740741,-0.072649573,-0.183333333,-0.027777778,0.166666667,0.75,1.96E-15,-0.108796296,-0.040740741,-0.072649573,-0.183333333,-0.027777778,0.166666667,0.75,1.56E-15,-0.108796296,-0.040740741,-0.072649573,-0.183333333,-0.027777778,0.166666667,0.75,0.02137843,-0.020208466,-0.060114869,-0.063619852,-0.197255903,-0.076978302,0.058710913,0.675175495,1.08103745,1.135884545,0.984899871,0.967972223,1.041064875,0.95201655,0.782663158,0.287552565,1.111111111,1.134259259,0.99382716,0.997150997,1.101851852,0.891203704,0.648148148,0,1.111111111,1.134259259,0.99382716,0.997150997,1.101851852,0.891203704,0.648148148,0,1.111111111,1.134259259,0.99382716,0.997150997,1.101851852,0.891203704,0.648148148,0,1.111111111,1.134259259,0.99382716,0.997150997,1.101851852,0.891203704,0.648148148,0,1.111111111,1.134259259,0.99382716,0.997150997,1.101851852,0.891203704,0.648148148,0,1.091257179,0.973463093,0.978302489,0.96043395,1.206126356,1.030232929,0.804084237,0,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,42.5255533,20.93370521,33.67217425,42.48028581,4.720031757,20.93370521,-0.135802469,0.446314879,0.049590542,-0.726057512,36.50784149,4.056426832,3.237774366,0,11.85,12.15009716,-0.210044223,0.090072698,5.287292424,8.444005922,9,21,18,15,3,3,0,0,0,6,13.118484,3.782771282,3.217181512,2.666935933,2.619181914,2.057455151,1.358834672,0.941428501,0.749263518,1.986993095,1.704083039,1.231816315,1.082250302,0.859123734,0.6145015,0.310513972,0.232410074,3.795009657,3.24984449,2.700116221,2.645815032,2.119778364,1.464765672,1.053336623,0.876009767,1.953168085,1.634195773,1.142552134,1.007167592,0.756638472,0.468245882,0.150156259,0.064507002,3.850861647,3.395068557,2.855919381,2.771820215,2.380138286,1.89267219,1.517793787,1.389965584,1.862480449,1.424178606,0.888893523,0.798620231,0.429056668,0.029582283,0.396843083,0.517527975,3.804124236,3.274026461,2.725091602,2.665925019,2.165054536,1.540896411,1.134811365,0.967572151,1.932500126,1.58918854,1.086148251,0.960278991,0.689411384,0.36961218,0.041902902,0.049437603,3.879525295,3.466046858,2.937335231,2.838078588,2.497666914,2.078051399,1.721464227,1.609830081,1.836357816,1.358132532,0.814930271,0.738564276,0.316540888,0.209646882,0.594311107,0.732373528,3.840167169,3.247866331,2.760003471,2.756006987,2.202509977,1.579410962,1.254613319,1.084563756,1.913739634,1.574874618,1.035303012,0.85935819,0.618019006,0.294932158,0.088737885,0.180833734,0,0,0,5,1,1,2,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.65464793,0.637136847,0.219416097,0.297409508,0.242502443,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,5.800964908,3.471343774,2.23559856,1.381499797,0.933352372,0.533909221,0.197141522,0.087630571,0.644551656,0.385704864,0.223559856,0.125590891,0.077779364,0.044492435,0.03285692,0.021907643,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,2.6391,40.437,37.50463196,54.26687178,75.00926391,8.334362657,37.50463196,0.136437528,0.015159725,-1.792699594,35.3218919,3.924654656,3.208052645,81,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,3,0,0,5,0,0,0,0,0,0,0,0,1,0,2,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.01601852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.05600907,0,0.899893707,0,0,2.05600907,0,0,0,0,0,0,0,0,2.201388889,0,2.449259259,0,0,10.57157407,0,0,0,0,1.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0,0.25461593,0,0,0.396597222,0,0,0,0,0,0,0,0,2.201388889,0,1.209166667,0,0,2.054722222,0,0,0,0,1.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.170138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.427953515,0,0.359305556,0,0,0.427953515,0,0,0,0,0,0,0,0,2.201388889,0,1.240092593,0,0,2.170138889,0,0,0,0,1.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.66666667,1.851851852,0.427953515,2.201388889,0.144097222,1.209166667,5.5813325,0.290833333,0.201388889,1.545925926,0.290833333,0.201388889,1.545925926,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.11111,0.11111,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.09633,0.56626,9.45555,4.35922,0.48436,2.44966,0.27218,4.43185,1.98218,0.22024,-0.01785,-0.00198,0.06815,0.00757,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.350852404,3.100916686,3.558518613,3.784941827,3.784941827,20.68979086,49.36790048,65.1192504,74.72889087,79.48377838,79.48377838,0.224307135,0.535219151,0.705986473,0.810168818,0.861718647,0.861718647,3.407089287,2.041465019,1.291400737,0.83379881,0.607375595,0.607375595,0.214882485,0.512730999,0.676323238,0.776128183,0.825512057,0.825512057,6.75154531,16.98424291,20.28133333,23.2313996,23.45959458,23.45959458,33.82580122,25.97128157,21.0758509,17.00634036,16.43066217,16.43066217,7.111111111,3.92,2.380165289,3,6,3,2.45,1.1391,0,2.085481947,0.333333333,0,9.563073858,4.445544946,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,4.418,10,11,12,12,6,4,2,0,0,75,2.564949357,2.970414466,3.392829132,3.820455812,4.218588165,3.49839971,3.270044111,2.784239339,0,0,5.534870605,3.365,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.222222222,3,0.333333333,0,3,6,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.04,0,0,0,0,0.111111111,0.044444444,0.0234375,0.030222222,0.030092593,0.04,0,0,0,0,0.27930787,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,0,133.0544855,4.169925001,3.663561646,4.394449155,5.153291594,5.905361848,6.673297968,7.430707083,8.200562797,8.959440144,9.729669736,78.11034197,2.944438979,0,4.077537444,0,5.433722004,0,6.886531643,0,8.379997952,8.639410824,120.0939004,5.718757161,17.70058553,1.966731726,0,0,0,94,8,3.507,38,1.234633511,2.166449137,2.958666532,3.782312058,4.72259859,5.575264779,6.787610533,7.865256659,0,0,94.43903682,111.1583113,102.4154583,107.3888626,114.0098427,74.3429148,32.63329359,7.991604142,0,0,327.3861275,432.3747292,447.5452097,507.2652264,590.8444671,508.5544907,405.1002799,244.4816279,0,0,9.042027763,15.59960057,20.97249264,26.67338378,33.26775782,38.77791975,46.52858368,52.84244372,0,0,2.382529912,3.355214785,3.704020774,4.346417111,5.212510633,4.948853681,4.57011008,3.496994611,0,0,173.2140676,322.309064,464.1200062,603.0726964,754.7526436,927.7201056,1181.368676,1454.424794,0,0,3.173893953,4.72326828,5.588418796,6.801800452,8.672114792,9.00954508,9.108103832,7.865256659,0,0,0.490292779,0.699191032,0.781621332,0.922869701,1.111688981,1.073116906,1.014351197,0.805402282,0,0,268.8050085,132.8104995,11.29096632,82.11242896,-40.56990144,-4.86674546,186.6925796,173.3804009,16.15771178,0.766006416,0.378466515,0.032175564,0.233993584,-0.115610959,-0.013868634,94.32836477,46.60552014,3.962196969,28.81468316,-14.23668585,-1.707825846,0.125544653,0.131518276,3.057812665,1.166372427,350.9174375,0,1,0,664.8026547,25.78376727,8.727655225,782.1086491,27.96620548,9.213451688,1090.582516,33.02396881,10.29325765,2.110422115,2.110422115,623.668647,553.177662,111.3475087,1.127429197,5.601101045,4.968029089,4.201869872,4.443439901,7.963231373,0.792132121,3.755217936,3.769874126,3.77738705,11.89504989,3.796372138,4.371070036,2.646083883,7.427906738,4.514606055,2.005039305,3.988160472,2.07491926,1.732791107,1.271591476,1.718141754,4.99E-13,2.93E-47,3.44E-103,8.03E-181,3.70E-280,0,0,0,0,0,0,0,0,0,0,0.315259028,3.769728571,0.299181019,4.127939628,0.961062659,1.167259603,0.280257261,1.530188432,0.510844119,0.158513821,1.112247709,0.32148526,0.082699695,0.068488127,0.012101013,3.52E-15,2.06E-49,2.42E-105,5.65E-183,2.61E-282,0,0,0,0,0,0,0,0,0,0,1.017427978,3.769738649,0.976899592,4.812217599,1.244061728,1.574726564,0.759790846,2.47879041,0.928602371,0.477113291,1.683262596,0.602325408,0.308293652,0.246277366,0.126101884,3.67E-14,2.15E-48,2.52E-104,5.89E-182,2.72E-281,0,0,0,0,0,0,0,0,0,0,3.544626116,3.76985827,3.553042159,11.10075424,3.518170663,4.087731858,2.500053209,6.976554339,4.12817055,1.871366158,3.80643173,1.940309373,1.592426015,1.173956564,1.53083337,4.45E-13,2.61E-47,3.06E-103,7.15E-181,3.30E-280,0,0,0,0,0,0,0,0,0,0,1.49944495,3.769751397,1.451710045,5.549524496,1.526145433,1.927630529,1.089979825,3.205764363,1.333998624,0.713136992,2.080003149,0.817997969,0.4961818,0.3884523,0.273910142,7.96E-14,4.66E-48,5.48E-104,1.28E-181,5.91E-281,0,0,0,0,0,0,0,0,0,0,4.534944655,3.76994072,4.620992231,15.19794117,4.945221789,5.519156461,3.188128231,9.20158846,6.1058702,2.523394821,4.66745514,2.604277482,2.297176196,1.660319128,2.505748275,7.28E-13,4.27E-47,5.01E-103,1.17E-180,5.40E-280,0,0,0,0,0,0,0,0,0,0,2.027450266,3.133978895,1.982105109,6.067799633,1.731562731,2.304326115,1.522146935,3.962951826,1.752456214,0.93657141,2.666803348,1.16671977,0.772666025,0.596597235,0.501010135,1.46E-13,8.53E-48,1.00E-103,2.34E-181,1.08E-280,0,0,0,0,0,0,0,0,0,0,5.82067991,1.379224787,0.428798298,0.762997316,0.180794139,0.550262161,0.412913493,0.307145907,7.628702995,11.11533289,22.18643977,0.644495974,1.27032156,4.63341997,0.756982164,0.17066108,0.833189588,0.136121841,0.348869054,0.124390932,0.048613373,5.561063214,4.427348126,10.58699079,0.749784382,0.52187336,5.048693385,0.974700008,0.26112591,0.803353947,0.155095396,0.414095341,0.206226152,0.113914545,6.284519304,6.493825568,14.06333542,0.70503092,0.734236038,5.784881323,1.360471187,0.421034908,0.764549977,0.17980459,0.543518918,0.401761232,0.296136106,7.566387418,10.8786072,21.75860855,0.646824965,1.241416256,5.255605949,1.083147384,0.306123886,0.790925968,0.163004876,0.448688989,0.254666672,0.156581472,6.644877219,7.633039638,16.02055642,0.686388953,0.859937133,5.935375438,1.439306783,0.453664712,0.758190138,0.183858329,0.572147888,0.449670752,0.343754749,7.828346933,11.88845922,23.59238491,0.637285206,1.365573389,5.796311733,1.362526877,0.420032466,0.76479883,0.179779662,0.545667976,0.402972355,0.294802094,7.578871076,10.90457516,21.80070746,0.647198245,1.243442425 +UMLMON0036,L,Propylbenzene,CCCC1=CC=CC=C1,7668,"Co optima database values referenced from their api report but sandia values averaged between that and independent api report, independent api report values match UMLs so I think we should use those ","Sandia, UML",[9],C9H12,PubChem,,98.7,0,0.7455,0.55577025,46.323,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,1895.678915,1643.557617,1174.44399,955.505213,648.773499,289.634857,56.556864,4670.34144,5841.481647,7713.603795,7469.048158,5854.287603,4680.183514,3531.910628,2058.624615,707.6164209,169.463656,175.052008,301.19726,380.97306,336.998616,273.31538,210.805932,166.456036,82.21824,34.11358067,43.47862034,61.18418518,63.16882866,51.46149573,41.10210406,31.74308232,20.37324227,8.011080479,3856.790689,3411.659229,6332.307522,8603.975729,7764.225018,6348.860072,4832.6429,4030.154205,2091.831407,47.52777778,57.66666667,85.58333333,95,79.83333333,65.5,53.5,37.5,16,60.70275442,67.17251842,45.13521226,30.43625217,24.46758312,24.50013367,21.6257833,12.06811904,4.713072,194.59756,243.3950686,183.6572332,138.3157066,121.9643251,120.0047055,117.7303543,85.77602562,58.96803508,7.060985667,7.293833667,7.171363333,7.055056667,7.0208045,7.008086667,7.0268644,6.935668167,6.85152,1.421399194,1.811609181,1.456766314,1.169793123,1.072114494,1.053900104,1.058102744,0.848885095,0.66759004,160.6996121,142.1524679,150.7692267,159.3328839,161.7546879,162.7912839,161.0880967,167.9230919,174.3192839,1.980324074,2.402777778,2.037698413,1.759259259,1.663194444,1.679487179,1.783333333,1.5625,1.333333333,0.056537236,-0.001083464,-0.021760538,-0.011914902,-0.002337638,0.009316995,-0.00738639,-8.34E-04,0.00347394,706.2183858,-4.97E-14,-156.3769283,-45.39975338,-80.71067267,12.6110426,-166.4657624,-30.26650225,50.44417042,1313.243245,2.42E-13,-290.7895757,-84.42278004,-150.0849423,23.45077223,-309.5501935,-56.28185336,93.80308893,0.138343333,2.24E-15,-0.030633167,-0.0088935,-0.015810667,0.002470417,-0.0326095,-0.005929,0.009881667,5.870808328,1.36E-14,-1.299964701,-0.377409107,-0.670949523,0.104835863,-1.383833392,-0.251606071,0.419343452,31.89032402,-1.08E-13,-7.061428889,-2.050092258,-3.644608459,0.569470072,-7.517004947,-1.366728172,2.277880287,4.415509259,0.258101852,-0.026909722,-0.327256944,-1.030092593,0.189380787,-1.172164352,-0.474537037,0.028356481,0.002355718,-4.51E-05,-5.18E-04,-2.21E-04,-4.87E-05,2.39E-04,-2.46E-04,-3.47E-05,2.89E-04,29.42576608,-2.07E-15,-3.723260197,-0.840736174,-1.681472347,0.323360067,-5.548858746,-1.26110426,4.203680868,54.71846854,1.01E-14,-6.923561326,-1.563384816,-3.126769631,0.601301852,-10.31833978,-2.345077223,7.816924078,0.005764306,9.32E-17,-7.29E-04,-1.65E-04,-3.29E-04,6.33E-05,-0.001086983,-2.47E-04,8.23E-04,0.244617014,5.67E-16,-0.030951541,-0.006989058,-0.013978115,0.002688099,-0.04612778,-0.010483586,0.034945288,1.328763501,-4.50E-15,-0.168129259,-0.037964671,-0.075929343,0.014601797,-0.250566832,-0.056947007,0.189823357,0.183979552,0.010754244,-6.41E-04,-0.006060314,-0.021460262,0.004855918,-0.039072145,-0.019772377,0.00236304,-0.019163723,-0.219936344,-0.093664148,-0.020673435,0.101411664,-0.104517172,-0.014747839,0.122890324,-7.04E-17,-0.126530612,-0.028571429,-0.057142857,0.010989011,-0.188571429,-0.042857143,0.142857143,1.84E-16,-0.126530612,-0.028571429,-0.057142857,0.010989011,-0.188571429,-0.042857143,0.142857143,1.62E-14,-0.126530612,-0.028571429,-0.057142857,0.010989011,-0.188571429,-0.042857143,0.142857143,2.32E-15,-0.126530612,-0.028571429,-0.057142857,0.010989011,-0.188571429,-0.042857143,0.142857143,-3.38E-15,-0.126530612,-0.028571429,-0.057142857,0.010989011,-0.188571429,-0.042857143,0.142857143,0.058453473,-0.003482494,-0.032940149,-0.116644823,0.02639379,-0.212372215,-0.107470511,0.012844037,1.11295963,1.158972095,0.980141584,0.927112102,0.844491744,1.156886063,1.025556928,0.834187917,1.15,1.173469388,0.985714286,0.985714286,0.90989011,1.117142857,0.903571429,0.657142857,1.15,1.173469388,0.985714286,0.985714286,0.90989011,1.117142857,0.903571429,0.657142857,1.15,1.173469388,0.985714286,0.985714286,0.90989011,1.117142857,0.903571429,0.657142857,1.15,1.173469388,0.985714286,0.985714286,0.90989011,1.117142857,0.903571429,0.657142857,1.15,1.173469388,0.985714286,0.985714286,0.90989011,1.117142857,0.903571429,0.657142857,1.085190039,0.962890844,0.936478812,1.00078637,0.89041234,1.302228047,1.11231979,0.868152031,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,57.26513058,28.25463308,46.2009397,57.19579725,5.719579725,28.25463308,-0.173333333,0.450610852,0.045061085,-0.797151169,80.75064815,8.075064815,4.391365989,0,11.85,12.1501118,-0.210044168,0.090088222,5.207143774,8.601194161,10,24,21,18,4,3,0,0,0,6,15.304898,3.784364516,3.312688401,2.83232124,2.619181914,2.346140264,1.742618974,1.239038839,0.941428501,1.99069284,1.771563753,1.394274641,1.082250302,1.002126503,0.761949393,0.56588451,0.310513972,3.796666404,3.344032745,2.866363615,2.645815032,2.392041045,1.824240739,1.353628363,1.053336623,1.956282132,1.706284368,1.30894997,1.007167592,0.907101456,0.638963584,0.413706806,0.150156259,3.852871796,3.481937591,3.025869471,2.771820215,2.589553982,2.163417764,1.810352352,1.517793787,1.864580578,1.509374337,1.059237931,0.798620231,0.628239066,0.226572726,0.107555542,0.396843083,3.80583111,3.367146821,2.892024727,2.665925019,2.425626214,1.883475757,1.43557583,1.134811365,1.93532215,1.664191716,1.254445418,0.960278991,0.846765677,0.556404819,0.310901952,0.041902902,3.881770447,3.548754759,3.107887283,2.838078588,2.683638968,2.31466653,2.00573419,1.721464227,1.838264548,1.447043516,0.984138956,0.738564276,0.540146324,0.080971679,0.298059637,0.594311107,3.859363052,3.327500427,2.91562892,2.775160709,2.470270584,1.919815676,1.489213202,1.268619127,1.9107639,1.655585484,1.211380533,0.841987852,0.777206439,0.475473054,0.223638393,0.100960309,0,0,0,5,1,1,3,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.612372436,0.679412342,0.219416097,0.27300174,0.273244345,7.234204519,4.931851653,3.64626437,2.690670698,1.968614081,1.513420006,0.637136847,0.348461713,0.723420452,0.493185165,0.331478579,0.224222558,0.151431852,0.108101429,0.079642106,0.058076952,6.50807169,3.971343774,2.58915195,1.661829883,1.025578078,0.68921783,0.286808989,0.139400107,0.650807169,0.397134377,0.23537745,0.138485824,0.078890621,0.049229845,0.035851124,0.023233351,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,3.0292,45.054,44.38801919,65.39551953,88.77603837,8.877603837,44.38801919,0.155799856,0.015579986,-1.859183073,41.5279113,4.15279113,3.726365763,107,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,4,0,0,5,0,0,0,0,0,0,0,0,1,0,3,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.11191704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.02800985,0,1.137892928,0,0,2.02800985,0,0,0,0,0,0,0,0,2.225138889,0,3.829610733,0,0,10.64955593,0,0,0,0,1.462361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.462361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.389652778,0,0.237999221,0,0,0.389652778,0,0,0,0,0,0,0,0,2.225138889,0,1.233472222,0,0,2.064926304,0,0,0,0,1.462361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.190138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.424047265,0,0.359305556,0,0,0.424047265,0,0,0,0,0,0,0,0,2.225138889,0,1.309537037,0,0,2.190138889,0,0,0,0,1.462361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.16666667,1.816666667,0.424047265,2.225138889,0.134097222,1.233472222,6.28382182,0.266527778,0.225138889,1.749389645,0.266527778,0.225138889,1.749389645,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.1,0.1,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.36978,0.63698,10.92787,4.55808,0.45581,2.94966,0.29497,4.93185,1.98218,0.19822,-0.01785,-0.00178,0.06815,0.00682,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.345437252,3.204986856,3.772055209,3.970175521,3.970175521,23.51685016,56.29049406,76.91968454,90.52932501,95.28421252,95.28421252,0.213713581,0.511549931,0.699021389,0.822701431,0.865912321,0.865912321,3.605093744,2.239525248,1.379975645,0.812907292,0.614786979,0.614786979,0.206076118,0.493268716,0.674040522,0.793300621,0.834967288,0.834967288,6.772325919,17.12993833,21.13574077,23.88501959,24.0846902,24.0846902,37.92632204,28.30072848,21.86929522,17.3948625,16.84298282,16.84298282,8.1,4.760330579,3.111111111,4,6,4,2.56,1.28,0,2.142414564,0.25,0,11.46750113,4.68730728,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,4.917,11,12,13,14,8,6,4,2,0,90,2.63905733,3.020424886,3.425889994,3.842136878,4.261799208,3.626006212,3.49839971,3.270044111,2.784239339,0,5.696883733,3.299305556,0.428571429,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.3,4,0.4,0,4,7,0.75,1,0.444444444,0.1875,0.151111111,0.090277778,0.060408163,0.027777778,0,0,0,0.1,0.04040404,0.020833333,0.025185185,0.018055556,0.020136054,0.027777778,0,0,0,0.252391947,27.56160995,42.5576848,55.12321989,5.512321989,27.56160995,0.162869141,0.016286914,-1.814808216,52.10125507,5.210125507,3.953189038,0,150.3504702,4.321928095,3.761200116,4.48863637,5.241747015,5.993961427,6.758094504,7.518064181,8.285765421,9.048409505,9.817439348,80.91331789,3.044522438,0,4.17438727,0,5.517452896,0,6.955592608,0,8.438366411,8.701346403,134.1095504,5.587897935,19.70454557,1.970454557,0,0,0,133,9,4.076,42,1.236512656,2.16566162,2.945182849,3.752934256,4.767487734,5.70139675,6.658625651,7.775499893,8.599688969,0,92.91185031,106.3617955,98.23942158,106.5508694,131.8079791,138.0204277,86.57532591,36.67440266,8.737834373,0,323.9803594,420.6911052,432.6005465,502.6319918,614.8636585,717.4181332,599.5062014,458.7164725,267.3105341,0,9.050443239,15.57610368,20.83834816,26.46188586,33.50739295,40.18431718,46.28900726,53.27499758,57.77670075,0,2.364973853,3.289913955,3.601334769,4.306348404,5.284995284,6.327195255,5.857758582,5.192529726,3.823532693,0,173.8105839,323.3515289,464.9155743,598.7398684,769.1777534,909.4526376,1109.813217,1355.339557,1590.234292,0,3.059063459,4.534347582,5.320605167,6.498488625,8.262315242,10.50381416,10.68101121,10.36984981,8.599688969,0,0.486961494,0.686538141,0.760893556,0.914382427,1.123512383,1.349201219,1.271076539,1.153193737,0.88060815,0,299.8422422,164.051516,12.10474298,83.62196423,-45.75175899,-4.96214732,216.220278,209.803275,17.0668903,0.781930196,0.427814417,0.031566813,0.218069804,-0.119311681,-0.012940314,114.9787675,62.9078844,4.641735662,32.06603016,-17.54416195,-1.902805884,0.11337201,0.119290386,2.761331203,1.144214144,383.4642065,0,1,0,726.8842238,26.96079049,8.991284665,863.5642905,29.38646441,9.522805011,1209.714033,34.78094353,10.65518283,2.155863452,2.056590322,906.0635104,849.0992892,133.2421099,1.067087821,6.800128814,6.372604653,4.682917228,5.282500282,9.005334831,0.704748575,4.313019043,4.718391434,4.073719855,16.80382595,5.675890491,4.386203333,4.295354568,11.04892899,6.708138006,2.253333605,4.956034934,3.103237048,2.344910266,3.311506518,2.735291752,0.12706343,1.99694085,3.97E-11,1.58E-43,1.25E-97,1.96E-173,6.07E-271,0,0,0,0,0,0,0,0,0.362071409,4.718203773,0.321297953,5.140880753,0.974457577,1.167381582,0.442189248,1.624103257,1.516130279,0.466716066,1.336112737,0.870591671,1.007443431,0.207141069,0.171716765,0.004542459,0.014064618,2.80E-13,1.11E-45,8.81E-100,1.38E-175,4.27E-273,0,0,0,0,0,0,0,0,1.168544053,4.718216744,1.050109271,6.088717852,1.382411918,1.575851612,1.167889273,2.920315765,2.331957044,0.759220074,1.921508578,1.171657439,1.153490169,0.678300196,0.592433308,0.018696975,0.14656416,2.92E-12,1.16E-44,9.18E-99,1.44E-174,4.45E-272,0,0,0,0,0,0,0,0,4.07114486,4.718370983,3.830861083,15.58294502,5.192895999,4.101217038,4.037952865,10.24992547,6.303977553,2.118422304,4.680120039,2.911840832,2.218117702,3.063969527,2.542067865,0.115722777,1.779238345,3.54E-11,1.41E-43,1.11E-97,1.75E-173,5.41E-271,0,0,0,0,0,0,0,0,1.722162239,4.718233171,1.56144243,7.164811825,1.826273413,1.930056125,1.684116276,3.996471068,2.964437087,0.98144745,2.368944012,1.424252817,1.291443359,1.049988168,0.91169533,0.03163657,0.318356941,6.34E-12,2.52E-44,2.00E-98,3.13E-174,9.67E-272,0,0,0,0,0,0,0,0,5.208570274,4.718477331,4.987834001,21.89972696,7.685809543,5.54121987,5.272824386,14.25936922,8.302560158,2.781843474,6.039283815,3.874016161,2.86536231,4.293300112,3.491910207,0.173412805,2.912350554,5.80E-11,2.31E-43,1.83E-97,2.86E-173,8.85E-271,0,0,0,0,0,0,0,0,2.360270699,3.903198195,2.188889187,8.169371273,2.369025778,2.399027317,2.334252143,5.199080202,3.817638826,1.236995723,2.937549482,1.892827422,1.720305088,1.542113335,1.42966056,0.052876773,0.605082658,1.20E-11,4.79E-44,3.79E-98,5.95E-174,1.84E-271,0,0,0,0,0,0,0,0,7.338824502,1.3021147,0.628376278,0.791733167,0.140475821,0.56273327,0.406320533,0.358775434,9.269315479,14.98575247,30.25982617,0.687599751,1.327829237,6.316060999,0.70912196,0.285260366,0.863977835,0.097001225,0.416959952,0.121063333,0.074103684,7.310443325,6.482863817,15.07094769,0.795966753,0.612126968,6.679265393,0.919787576,0.407140703,0.834262281,0.114884502,0.466225371,0.203307865,0.150796945,8.006193671,9.23738909,19.74485384,0.751393421,0.820330182,7.308677453,1.284645654,0.618266188,0.793421984,0.139459719,0.558123876,0.395538583,0.347338117,9.211589296,14.70202185,29.71854993,0.690132976,1.301000576,6.858010555,1.023429983,0.467107496,0.821461472,0.122587782,0.491482014,0.251505795,0.198411375,8.348548034,10.70017358,22.32720601,0.732192208,0.941399184,7.435131557,1.357916974,0.660672533,0.786476722,0.143638358,0.577585588,0.441725458,0.396551605,9.453721064,15.90561699,32.02968043,0.679715084,1.415862651,7.327320093,1.287290407,0.617878745,0.793645126,0.13943048,0.560973763,0.397074103,0.346858202,9.232489245,14.75517359,29.81573543,0.690467689,1.304906068 +UMLMON0037,L,n-butylbenzene,CCCCC1=CC=CC=C1,7705,"Sandia values averaged from independent api report and co-optima database, Co-optima values from referenced API report, currently would go with sandia independent api report ",Sandia,,C10H14,PubChem,,94.25,0,1.3512,1.82574144,41.8813,21.54993,6,6,19,9,10,0,8,0,1,0,0,0,0,0,0,0,1420.241609,1515.247705,1870.360395,1658.497609,907.480608,483.830974,235.062745,72.642528,9.144576,3915.363435,4717.44348,6111.757258,5976.267778,4280.709751,2423.521606,1200.270109,688.4196982,279.7536999,140.860484,144.0277,234.950652,240.465652,247.69812,189.926848,97.6177,42.705792,60.466176,27.40053305,33.3364231,44.2997488,45.31708367,36.60336541,22.60180808,10.40151432,6.68126586,4.001516144,3048.982655,2725.472627,4797.242629,4843.779413,5445.887121,4553.332838,2251.220741,918.7352863,1664.258868,51.80555556,57.5,82.83333333,85.44444444,72.16666667,45.33333333,25.5,12,9,74.74955837,79.74987921,60.33420629,51.82805028,26.69060612,17.9196657,18.08174962,12.107088,1.016064,206.0717598,248.286499,197.1534599,186.758368,125.903228,89.76005948,92.32846995,114.7366164,31.08374443,7.413709684,7.580405263,7.57905329,7.514551625,7.285238824,7.034327704,7.509053846,7.117632,6.718464,1.442133318,1.754548584,1.429024155,1.416158865,1.076569571,0.837104003,0.800116486,1.11354431,0.444612905,160.4727713,143.4459277,154.7497622,151.3681067,160.1731506,168.641957,173.1708263,153.1225477,184.917652,2.726608187,3.026315789,2.672043011,2.670138889,2.12254902,1.679012346,1.961538462,2,1,0.168528027,-0.042146141,-0.028367172,-0.008741932,-0.041348131,0.044779837,-0.019000216,-0.002783298,0.013343039,634.7270885,22.25765768,75.02698904,-295.0559369,-326.9421378,163.2437844,-38.90030583,-181.5609412,264.5673463,1006.329214,-48.16277968,260.3753596,-489.5763419,-556.576131,119.9064647,129.6284813,-334.7194591,415.9597989,1.040601684,0.030202947,-0.22507138,-0.204077363,-0.156364277,0.192322238,-0.264412942,-0.024096532,0.131196465,4.564428638,-0.497961093,1.400022584,-2.093851626,-2.380969477,0.03257875,1.076046054,-1.478459467,1.660379956,25.35940736,-3.194029034,7.906488828,-11.27722702,-12.78841011,-0.638221629,6.60077773,-7.993635461,8.704553011,8.049707602,-0.419590643,0.193751924,-1.721144968,-4.069944598,2.549245922,-1.469682979,-1.498153278,2.41066482,0.008869896,-0.002218218,-9.15E-04,-2.73E-04,-0.001216121,0.001658512,-0.001461555,-4.64E-04,0.00148256,33.40668887,1.171455668,2.420225453,-9.220498028,-9.615945229,6.046066089,-2.992331218,-30.26015687,29.39637181,52.96469549,-2.534883141,8.399205148,-15.29926069,-16.36988621,4.440980176,9.971421637,-55.78657651,46.21775544,0.05476851,0.001589629,-0.007260367,-0.006377418,-0.004598949,0.007123046,-0.020339457,-0.004016089,0.014577385,0.240233086,-0.026208479,0.045162019,-0.065432863,-0.070028514,0.00120662,0.082772773,-0.246409911,0.184486662,1.334705651,-0.168106791,0.255048027,-0.352413344,-0.376129709,-0.023637838,0.507752133,-1.332272577,0.967172557,0.423668821,-0.022083718,0.006250062,-0.05378578,-0.119704253,0.094416516,-0.113052537,-0.249692213,0.267851647,-0.25008387,-0.103165815,-0.030799165,-0.137106621,0.186982177,-0.164777019,-0.052298578,0.167145125,0.0350665,0.072447331,-0.27600754,-0.287844906,0.180983698,-0.089572817,-0.905811318,0.879954668,-0.047859864,0.158581203,-0.288857711,-0.309071657,0.083847932,0.188265439,-1.053278528,0.87261439,0.029024504,-0.132564627,-0.116443146,-0.083970686,0.130057325,-0.371371381,-0.073328427,0.266163624,-0.109096041,0.187992502,-0.272372404,-0.29150237,0.005022707,0.344551929,-1.0257118,0.767948598,-0.12595046,0.191089344,-0.26403825,-0.281807235,-0.017710151,0.380422554,-0.998177071,0.724633597,-0.052124955,0.014752235,-0.126952416,-0.28254204,0.222854529,-0.266841767,-0.589357065,0.632219397,1.174190165,1.402294629,1.133757728,0.943606875,0.38147323,1.909894208,0.236509164,0.034323939,0.927229456,0.932050142,1.232503309,1.203859702,0.707721616,1.13149713,1.716633969,0,1.092116359,0.806532896,1.261357676,1.237316499,0.831686154,0.636855068,2.013403459,0,0.85855147,1.476813839,1.17711286,0.904178478,0.347664246,2.298383305,0.205115947,0,1.200816897,0.80348693,1.273360646,1.213129378,0.863495527,0.46626513,1.98443645,0,1.228826394,0.815751824,1.275304251,1.199325287,0.863519452,0.447768964,1.940195742,0,0.951325826,1.115047514,1.121935162,1.182907417,0.484259596,1.727248596,1.118053033,0,29.77475799,15.012379,22.34046901,29.96920243,3.329911382,15.01238041,0.25,0.032004516,0.003556057,-3.097690426,59.76282271,6.640313634,3.681345396,29.78351758,15.01639158,22.34642173,29.97739081,3.330821201,15.01639299,0.249265579,0.032427878,0.003603098,-3.085863102,59.86613559,6.651792843,3.682899897,37.75389609,18.67745081,28.30824187,37.62089793,4.18009977,18.67745084,-0.398994478,0.351517533,0.039057504,-0.94094612,66.09162066,7.343513407,3.771937774,29.79271168,15.02060324,22.3526714,29.98598541,3.331776157,15.02060465,0.2484948,0.032872148,0.003652461,-3.073616583,59.97530688,6.663922987,3.684539633,46.46745615,22.69258094,35.54314199,46.1066914,5.122965711,22.69258094,-1.082294264,0.541959244,0.060217694,-0.551308028,46.72103981,5.191226645,3.459775135,30.69575604,15.43444511,22.97474487,30.83041596,3.425601773,15.43444602,0.173134186,0.075979026,0.008442114,-2.319568153,76.5261945,8.502910501,3.903869785,29.1563173,14.73768246,21.90829204,29.38594693,3.265105214,14.73768439,0.402380952,0.088882201,0.0098758,-2.178399033,50.39335579,5.599261755,3.527873403,0,11.99629191,15.99794303,-0.377471237,0.075619343,4.690131085,7.638298044,9,19,16,13,3,3,0,0,0,6,12.84807,3.800638842,3.079400515,2.642124718,2.619181914,2.052397252,1.144606548,0.941428501,0.314808877,1.956564168,1.463506838,1.328266837,1.082250302,0.725686902,0.310513972,0.083923071,0.083923071,3.792392589,3.008495899,2.652804417,2.645815032,2.100030255,1.053336623,0.961597489,0.446398944,1.940360815,1.437629716,1.236460403,1.007167592,0.6542582,0.150156259,0.105444253,0.270913902,3.856122469,3.214051998,2.899717702,2.771820215,2.338398745,1.517793787,1.470504807,0.956863298,1.848519894,1.156807274,0.922974928,0.798620231,0.364578065,0.396843083,0.663557632,0.943918427,3.795486737,3.00410267,2.67861982,2.665925019,2.136935049,1.134811365,0.941080482,0.541514558,1.931014422,1.422151651,1.176709552,0.960278991,0.606727413,0.041902902,0.116212225,0.399277246,3.875892516,3.258914637,2.998825043,2.838078588,2.434809244,1.721464227,1.565541148,1.207644823,1.828784699,1.10737162,0.826026098,0.738564276,0.272018241,0.594311107,0.780605216,1.159578218,3.838626469,3.239762448,2.792194237,2.722592367,2.197186917,1.49535744,1.230214688,0.603689754,1.897757119,1.256778859,1.082890101,0.889742168,0.539773609,0.067369896,0.43646938,0.52173913,0,0,0,5,1,1,0,0,0,0,0,0,0.083333333,0.142258898,0,0,0,0.027777778,0.039118008,0.49279928,0,0,0,0.234708048,0,0,0,0.90104757,0.937443702,1.069035594,0.339058892,0.292312191,0.274323162,6.690234444,4.325698503,3.534145948,2.712778743,1.73736354,1.373773448,0.686886724,0.11785113,0.743359383,0.480633167,0.321285995,0.226064895,0.144780295,0.098126675,0.08586084,0.058925565,5.717649367,2.933739641,2.017176675,1.256685203,0.674352013,0.438258185,0.185561108,0.022680461,0.635294374,0.325971071,0.183379698,0.104723767,0.056196001,0.031304156,0.023195138,0.01134023,11.42393812,18.76984705,17.97647059,18.2,12.47301198,143.5238802,0.601259901,0.987886687,0.946130031,0.957894737,0.656474315,7.553888434,1.72322,36.634,36.40309101,49.22239066,72.80618203,8.089575781,36.40309101,0.096723867,0.010747096,-2.102305585,57.28426909,6.364918788,3.643223445,77,0,0,1,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,4,0,0,0,0,0,0,0,0,2,0,0,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.969166667,10.13787037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.922361111,0,0,0,0,1.922361111,0,0,0,0,0,0,0,0,3.726296296,0,0,0,0,7.960648148,0,0,0,0,2.177222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.969166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.969166667,0.917222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.459097222,0,0,0,0,0.459097222,0,0,0,0,0,0,0,0,1.671296296,0,0,0,0,1.953703704,0,0,0,0,0.917222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.969166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.969166667,2.02662037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.502083333,0,0,0,0,0.502083333,0,0,0,0,0,0,0,0,2.055,0,0,0,0,2.02662037,0,0,0,0,1.26,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.969166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.83333333,2.092592593,0.535972222,4.969166667,0.210555556,0.917222222,4.425438241,0.749444444,1.469166667,3.154814815,0.749444444,1.469166667,3.154814815,4.33333,0.48148,0,0.01852,0.52982,0.78519,0.43333,0.47467,0.78519,0.09649,0.05516,-0.04133,0,0.61321,0.10108,0,0.23077,0.23077,0,11.5,1.27778,5,0.55556,6.5,0.72222,1.5,0.16667,0.5,0.05556,4.33312,0.48146,9.88205,5.54893,0.61655,1.80047,0.20005,4.32569,2.52521,0.28058,0.08831,0.00981,0.17431,0.01937,0.315789474,9.01,0,1,1,1,0,0,0.25,1.236386411,2.589518303,3.115834092,3.536886724,3.642149882,3.431623566,23.49134181,49.20084775,59.20084775,67.20084775,69.20084775,65.20084775,0.291056381,0.60959569,0.733495118,0.83261466,0.857394546,0.807834775,3.011541103,1.658409211,1.132093421,0.71104079,0.605777632,0.816303948,0.277252017,0.580683487,0.698706552,0.793125005,0.816729618,0.769520392,10.3725649,20.99285349,23.83742981,26.57591929,25.52493509,24.15569035,31.88355406,23.55622644,19.77549534,16.41056479,17.35706059,19.01342823,7.111111111,3.239669421,2,1,7,0,2.23,1.0569,0.166666667,2.746356192,1.590541458,0,3.301927249,5.656854249,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.34,0.338,0.714,0.686,4.256,11,12,12,14,8,2,0,0,0,77,2.564949357,3.068052935,3.504054767,3.899444223,4.385925275,3.876395828,2.784239339,0,0,0,5.579258017,3.426948052,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,3,0.333333333,0,3,6,1,2,0.888888889,0.25,0.342222222,0.118055556,0,0,0,0,0,0.222222222,0.080808081,0.027777778,0.085555556,0.059027778,0,0,0,0,0,0.475391414,20.69044905,31.20338714,41.3808981,4.597877567,20.69044905,0.05682378,0.006313753,-2.581020349,58.78058292,6.53117588,3.66643042,9.23,124.5487276,4.169925001,3.713572067,4.465908119,5.252273428,6.02827852,6.816735881,7.598399329,8.386400901,9.169830829,9.957265258,79.38866433,2.944438979,0,4.143134726,0,5.556828062,0,7.055312843,0,8.590257762,8.836955157,122.0731649,6.424903418,17.54959443,1.949954937,2.76434683,2.76434683,0,90,9,1.659,40,1.232858092,2.141459454,3.028065217,3.784129372,4.528924712,5.455902127,6.48054986,6.807529447,0,0,107.7253835,140.6203951,164.9570188,108.5779817,89.72169624,106.8374791,78.46058745,6.9168856,0,0,324.5091875,449.5243586,579.7866957,496.7068332,423.4057257,521.5415296,743.5563632,211.6035055,0,0,9.411534328,16.29986653,22.8100189,27.73975314,32.00709172,41.3005216,46.12616906,45.73614152,0,0,2.250805896,3.21413555,4.357898979,4.184329393,3.873882184,4.42761881,7.216379423,3.026715442,0,0,175.5281077,327.5263388,455.9731467,603.120338,760.5709107,945.2071519,992.3183052,1258.832361,0,0,3.873583197,5.945767928,8.285077464,8.28969586,7.889117057,11.08944056,12.96109972,6.807529447,0,0,0.493409124,0.715480464,0.971354642,0.938866407,0.88223151,1.075696352,1.555331967,0.697091015,0,0,273.8865019,168.4787027,13.52329985,86.19629488,-53.02283917,-9.960285865,187.690207,221.5015419,23.48358571,0.760620903,0.467888786,0.037556084,0.239379097,-0.147251798,-0.027661099,98.62181761,60.66628248,4.86950763,31.03780293,-19.09261222,-3.586527591,0.122193495,0.56679044,1.310401841,11.4766408,339.834324,20.24847277,0.943767175,0.056232825,742.8931548,27.25606638,9.056814073,840.6127648,28.99332276,9.437681718,1240.550271,35.22144617,10.74495966,1.89933118,1.832359198,549.1900111,474.3380327,108.4932437,1.157803029,5.061974299,4.372051352,3.95984945,4.340761948,7.518215746,0.732003698,3.115761959,2.377791108,5.502966898,7.135648652,2.349183696,6.44566867,5.267486123,6.24336785,2.759535787,4.081149664,3.801878104,0.177234753,1.453568525,1.628516957,8.31E-11,1.38E-42,4.39E-96,2.71E-171,3.21E-268,0,0,0,0,0,0,0,0,0,0,0,0.261598236,2.54530734,0.50505506,2.726779981,0.357352869,2.167498165,1.987574645,0.599228648,0.118697366,1.371134504,0.449273595,0.014870049,0.032233267,0.011469778,5.85E-13,9.69E-45,3.09E-98,1.91E-173,2.26E-270,0,0,0,0,0,0,0,0,0,0,0,0.844192,2.233682337,1.242908144,3.102368406,0.761953864,1.956113199,2.11906107,1.395177784,0.457407727,1.257034709,0.736046758,0.048000435,0.163194823,0.119523931,6.10E-12,1.01E-43,3.22E-97,1.99E-172,2.36E-269,0,0,0,0,0,0,0,0,0,0,0,2.941033175,2.544726291,5.926375845,7.094836017,2.226548347,6.493151573,5.320602095,6.334857265,2.52699152,4.134323728,4.419343754,0.167290759,1.310248705,1.45097929,7.40E-11,1.23E-42,3.91E-96,2.41E-171,2.86E-268,0,0,0,0,0,0,0,0,0,0,0,1.244125009,2.115266136,1.623001463,3.453313176,1.040285548,2.168770269,2.391958475,1.904571174,0.74940718,1.400285754,0.806702919,0.070746883,0.300354695,0.259621949,1.32E-11,2.19E-43,7.00E-97,4.31E-172,5.12E-269,0,0,0,0,0,0,0,0,0,0,0,3.762708961,2.483563954,7.332547814,8.922108901,2.80404607,8.371267475,6.354569662,8.277214339,3.701014677,5.246126024,5.490289074,0.214057592,2.048149328,2.375038931,1.21E-10,2.01E-42,6.40E-96,3.95E-171,4.69E-268,0,0,0,0,0,0,0,0,0,0,0,1.696351744,2.639058853,3.763262353,5.081392872,1.190744676,4.748535825,3.944639014,3.730700631,1.102371044,3.023148369,3.039265164,0.096468896,0.473559224,0.443301402,2.26E-11,3.74E-43,1.20E-96,7.36E-172,8.75E-269,0,0,0,0,0,0,0,0,0,0,0,5.480206837,1.449226293,0.290732513,0.759014004,0.200719258,0.542667716,0.416198797,0.352097473,7.220165643,9.956671348,19.48585201,0.638521007,1.310963987,3.784055309,0.760047697,0.164586463,0.803632377,0.16141385,0.263054274,0.114256851,0.096778985,4.708689469,3.623960362,8.806010789,0.705448565,0.47409011,4.250978253,1.025981332,0.199360064,0.776247284,0.187348694,0.327465905,0.208382575,0.167438681,5.476319649,5.413439329,11.75925281,0.664370926,0.703287161,5.428733378,1.404548368,0.291259038,0.761976602,0.197142302,0.532943964,0.390717797,0.355763519,7.124540783,9.615173673,18.96054092,0.642964903,1.27942528,4.543949753,1.160128703,0.217107643,0.767405327,0.195928431,0.373270635,0.266629546,0.198863842,5.9211861,6.509965566,13.57564905,0.65110799,0.838764023,5.670308924,1.505948179,0.305974451,0.7578366,0.201269924,0.58095377,0.449435647,0.389290775,7.482231554,10.73494273,20.82994868,0.6367549,1.419680193,5.423041036,1.420335294,0.287916419,0.760456936,0.199169399,0.531566993,0.399677169,0.346644093,7.13129275,9.672856994,19.0218365,0.640685404,1.277888256 +UMLMON0038,L,1-methoxy-4-methyl-benzene,CC1=CC=C(C=C1)OC,7731,Co optima database valuese measured by NREL,Sandia,,C8H10O,PubChem,,92,0,1.626,2.643876,49.2166,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2005.6539,1915.914515,1263.172182,697.287531,421.79189,269.399257,84.835296,4670.34144,5841.481647,7855.078337,8077.010367,6523.510579,4249.12541,2367.4049,1695.218043,1061.424631,169.463656,175.052008,300.821808,362.062604,340.19196,312.780396,166.87892,105.590692,123.32736,34.11358067,43.47862034,61.52167806,65.85463273,56.81294697,40.41907011,22.04859796,15.70279472,12.01662072,3856.790689,3411.659229,6369.569539,7964.771286,7509.864184,7511.022367,4003.826014,2397.690441,3137.747111,48.05555556,58.33333333,86.33333333,99.44444444,93,69.58333333,34,25,24,60.70275442,67.17251842,47.75366429,37.56695127,26.31608712,15.49527847,17.57466208,17.95995047,4.713072,194.59756,243.3950686,187.0256747,158.3727523,135.9064704,94.42500911,98.64187085,113.0145362,58.96803508,7.060985667,7.293833667,7.162424,7.099266745,7.0873325,6.950675467,6.953288333,7.039379467,6.85152,1.421399194,1.811609181,1.464801859,1.291267308,1.183603062,0.898201558,0.918691582,1.046852981,0.66759004,160.6996121,142.1524679,151.6564176,156.171986,156.4555038,166.9116082,166.8260839,159.8460294,174.3192839,2.002314815,2.430555556,2.055555556,1.949891068,1.9375,1.546296296,1.416666667,1.666666667,1.333333333,0.050013515,-0.002270437,-0.008026888,-0.00814019,-0.027731218,0.009794285,0.010634473,-0.004264409,1.17E-04,706.2183858,-7.82E-14,15.13325112,-17.65545965,-484.264036,-2.522208521,40.35533633,-168.9879709,75.66625563,1313.243245,2.42E-13,28.14092668,-32.83108113,-900.5096538,-4.690154447,75.04247115,-314.2403479,140.7046334,0.138343333,2.23E-15,0.0029645,-0.003458583,-0.094864,-4.94E-04,0.007905333,-0.033103583,0.0148225,5.870808328,1.35E-14,0.125803036,-0.146770208,-4.025697139,-0.020967173,0.335474762,-1.404800564,0.629015178,31.89032402,-1.08E-13,0.683364086,-0.7972581,-21.86765075,-0.113894014,1.822304229,-7.630898961,3.41682043,4.49537037,-0.49537037,0.447916667,0.704282407,-3.550925926,-0.977430556,0.768518519,-0.316550926,0.086805556,0.002083896,-9.46E-05,-1.91E-04,-1.60E-04,-5.78E-04,2.18E-04,4.43E-04,-2.84E-04,6.49E-06,29.42576608,-3.26E-15,0.360315503,-0.346185483,-10.08883408,-0.056049078,1.681472347,-11.26586473,4.203680868,54.71846854,1.01E-14,0.670022064,-0.643746689,-18.76061779,-0.104225654,3.126769631,-20.94935653,7.816924078,0.005764306,9.31E-17,7.06E-05,-6.78E-05,-0.001976333,-1.10E-05,3.29E-04,-0.002206906,8.23E-04,0.244617014,5.62E-16,0.00299531,-0.002877847,-0.08386869,-4.66E-04,0.013978115,-0.093653371,0.034945288,1.328763501,-4.51E-15,0.016270573,-0.015632512,-0.455576057,-0.002530978,0.075929343,-0.508726597,0.189823357,0.187307099,-0.020640432,0.010664683,0.013809459,-0.073977623,-0.021720679,0.032021605,-0.021103395,0.004822531,-0.04539647,-0.091711069,-0.076592854,-0.277237249,0.104444141,0.212631992,-0.136424205,0.003115833,-1.11E-16,0.012244898,-0.011764706,-0.342857143,-0.001904762,0.057142857,-0.382857143,0.142857143,1.84E-16,0.012244898,-0.011764706,-0.342857143,-0.001904762,0.057142857,-0.382857143,0.142857143,1.62E-14,0.012244898,-0.011764706,-0.342857143,-0.001904762,0.057142857,-0.382857143,0.142857143,2.30E-15,0.012244898,-0.011764706,-0.342857143,-0.001904762,0.057142857,-0.382857143,0.142857143,-3.40E-15,0.012244898,-0.011764706,-0.342857143,-0.001904762,0.057142857,-0.382857143,0.142857143,-0.110195675,0.056936884,0.073726298,-0.394953656,-0.115962925,0.170957775,-0.112667353,0.025746653,1.139555048,1.019166524,1.073945316,1.461837621,0.978799807,0.62488832,0.78889843,0.557193361,1.15,1.032653061,1.005042017,1.314285714,0.876190476,0.821428571,1.314285714,0.657142857,1.15,1.032653061,1.005042017,1.314285714,0.876190476,0.821428571,1.314285714,0.657142857,1.15,1.032653061,1.005042017,1.314285714,0.876190476,0.821428571,1.314285714,0.657142857,1.15,1.032653061,1.005042017,1.314285714,0.876190476,0.821428571,1.314285714,0.657142857,1.15,1.032653061,1.005042017,1.314285714,0.876190476,0.821428571,1.314285714,0.657142857,1.279093718,0.896719141,0.925183256,1.548532441,1.023274974,0.444129763,0.93800206,0.852729145,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,47.90330554,23.79609721,35.21145022,47.81663887,4.781663887,23.79609721,-0.144444444,4.44E-16,4.44E-17,-35.35050621,79.44653361,7.944653361,4.375084262,0,11.89,12.11015511,-0.156964492,0.065318248,5.499062742,8.366422458,10,24,21,18,4,3,0,0,0,6,15.304898,3.819612023,3.220958077,2.868110111,2.619181914,2.358697108,1.692954427,1.469983674,0.941428501,2.007143858,1.68895318,1.495098636,1.082250302,0.998265407,0.795641239,0.564763347,0.310513972,3.83060556,3.249474872,2.913334396,2.645815032,2.400317283,1.781060768,1.562752625,1.053336623,1.975512742,1.616884266,1.410559618,1.007167592,0.901611951,0.661051036,0.436582117,0.150156259,3.881168252,3.381837113,3.108430974,2.771820215,2.585426489,2.146465415,1.93615817,1.517793787,1.891770834,1.409394393,1.146412189,0.798620231,0.622886063,0.214487985,0.003797392,0.396843083,3.838812445,3.27089294,2.946492122,2.665925019,2.431080677,1.844946852,1.629330305,1.134811365,1.956281337,1.571234051,1.355301317,0.960278991,0.840420913,0.57113121,0.350637418,0.041902902,3.90737822,3.449579908,3.200418815,2.838078588,2.677168039,2.309455932,2.097347768,1.721464227,1.867974208,1.34734449,1.059712184,0.738564276,0.538152491,0.057695502,0.152954976,0.594311107,3.856927041,3.251018072,2.995046797,2.765994816,2.481928701,1.889840822,1.681250695,1.261914887,1.939880605,1.565694996,1.282703987,0.850296122,0.77397203,0.493991063,0.265924794,0.095113692,0,0,0,4,2,2,2,0,0,0,0,0,0.083333333,0.11785113,0,0,0,0.027777778,0.03928371,0.40824829,0,0,0,0.23570226,0,0,0,0.98559856,1.114807748,1.040440115,0.507867787,0.486815711,0.389442649,7.397341225,4.863703305,3.703247927,3.121027034,2.047980757,1.471404521,0.902368927,0.402368927,0.739734123,0.486370331,0.308603994,0.222930502,0.14628434,0.091962783,0.075197411,0.067061488,6.723614639,3.942687549,2.523603362,1.839467948,1.010667982,0.621785024,0.38131685,0.161900753,0.672361464,0.394268755,0.21030028,0.131390568,0.07219057,0.038861564,0.031776404,0.026983459,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.8114,45.198,42.38504202,55.88860613,84.77008404,8.477008404,42.38504202,2.22E-16,2.22E-17,-36.04365339,48.66129513,4.866129513,3.884883953,100,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,4,0,0,4,0,0,0,0,0,0,0,0,2,0,2,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.68462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.523888889,0,1.290555556,0,0,1.523888889,0,0,0,0,0,0,0,0,4.363000756,0,2.285702948,0,0,8.828703704,0,0,0,0,2.855925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.427962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.285972222,0,0,0.380972222,0,0,0,0,0,0,0,0,2.181500378,0,1.142851474,0,0,2.207175926,0,0,0,0,1.427962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.207175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.359305556,0,0,0.380972222,0,0,0,0,0,0,0,0,2.181500378,0,1.142851474,0,0,2.207175926,0,0,0,0,1.427962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.33333333,1.833333333,0.380972222,2.207175926,0.142777778,1.142851474,6.19749274,0.357148526,0.207175926,2.383408919,0.357148526,0.207175926,2.383408919,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.58952,0.65895,11.43218,4.84266,0.48427,2.89931,0.28993,4.86369,1.96438,0.19644,0.05031,0.00503,0.13631,0.01363,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.284159128,2.688721876,2.855388542,3.022055209,2.855388542,23.51685016,54.81981907,64.52932501,68.52932501,72.52932501,68.52932501,0.213713581,0.498184909,0.586421781,0.622772496,0.659123212,0.622772496,3.605093744,2.300803373,1.896240625,1.729573959,1.562907292,1.729573959,0.206076118,0.480381319,0.565464877,0.60051653,0.635568183,0.60051653,6.772325919,16.88939319,17.29712166,19.29712166,19.4650925,17.4650925,37.92632204,28.0806892,27.54135417,24.37142917,23.84310834,27.01303334,8.1,4,2.285714286,2,6,2,2.56,1.28,0.142857143,3.888322594,1.264911064,0,6.580104012,7.559526299,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.894,12,14,14,16,12,6,0,0,0,94,2.63905733,3.113515309,3.590439381,3.986666548,4.466626252,4.1763085,3.640870235,0,0,0,5.7712464,3.403590426,0.428571429,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,0,4,7,0.75,2,0.888888889,0.25,0.382222222,0.180555556,0.040816327,0,0,0,0,0.2,0.074074074,0.022727273,0.063703704,0.060185185,0.020408163,0,0,0,0,0.441098399,26.03949385,39.44261809,52.0789877,5.20789877,26.03949385,1.11E-16,1.11E-17,-36.73680057,53.5839518,5.35839518,3.981249616,0,150.3504702,4.321928095,3.80666249,4.574710979,5.361292166,6.150602768,6.944087208,7.737616283,8.532475815,9.326967184,10.12202049,82.55643538,3.044522438,0,4.234106505,0,5.65248918,0,7.158513997,0,8.703008637,8.947285869,134.1095504,5.587897935,19.56874261,1.956874261,0,0,0,125,11,3.794,44,1.235929323,2.155875194,2.975641686,3.803836732,4.566033795,5.594309301,6.664643899,7.101571633,7.770062243,0,92.76161773,113.0020016,120.975645,110.0616251,77.59777087,107.0996996,124.5612713,34.88035524,7.894880523,0,323.5789178,430.315747,497.9720754,546.4760998,455.6354473,575.2974203,765.3068138,429.4015325,241.522629,0,9.045833162,15.49630435,21.18728354,27.0302283,31.81241711,38.94550368,46.93517949,48.70731116,52.20288346,0,2.362509317,3.318542686,4.006793867,4.685587632,4.265713631,5.27772955,7.045334901,4.825987878,3.454669945,0,173.7497847,323.0910679,460.1962355,589.9496882,756.4085721,930.0175256,1063.968971,1233.898383,1436.821666,0,3.091288087,4.586447867,5.971488447,7.554762251,7.230356102,8.027118635,11.20708468,9.595904344,7.770062243,0,0.486472119,0.691026444,0.84119524,0.993469427,0.919819599,1.135162869,1.511542492,1.070421116,0.795654374,0,319.5529872,163.6354549,11.3677643,95.28941392,-48.79543369,-4.907043392,224.2635733,212.4308886,16.27480769,0.770299724,0.394452097,0.027402609,0.229700276,-0.117624027,-0.011828693,132.5641285,67.88292504,4.715830638,39.53008928,-20.24241488,-2.035649663,0.121147959,0.119640932,3.04720661,1.147576518,414.8424012,0,1,0,729.0594248,27.00110044,9.00024454,865.5271791,29.41984329,9.530014688,1258.155968,35.47049433,10.79555135,2.113369874,2.00345672,775.0858015,710.1285047,130.7156286,1.091472594,5.929557237,5.432621274,4.414610774,5.14982236,8.719547178,0.69317436,4.231360714,4.769035699,4.031030525,10.73286412,7.303408908,6.465956902,5.937996307,8.930645953,6.373713909,5.21506595,2.504294461,3.752799098,3.841630156,3.10071201,2.006713434,0.442036949,3.86E-04,3.52E-27,6.24E-72,2.13E-138,1.40E-226,0,0,0,0,0,0,0,0,0,0.355218392,4.768829469,0.307969799,5.980646177,1.448965751,1.919301943,0.479116068,2.022312659,1.009859546,0.359875331,0.070195457,0.303867386,0.321941761,0.022184003,0.167756177,0.003113302,2.72E-06,2.48E-29,4.39E-74,1.50E-140,9.87E-229,0,0,0,0,0,0,0,0,0,1.146421676,4.768843705,1.013505975,6.588798835,2.059372658,2.654626464,1.431845705,3.112824574,1.796372003,1.143719377,0.318751029,0.734297423,1.010599468,0.228253569,0.541967916,0.032443011,2.83E-05,2.59E-28,4.58E-73,1.56E-139,1.03E-227,0,0,0,0,0,0,0,0,0,3.994066058,4.769013218,3.783855461,10.31391688,6.738188528,6.119427258,5.546658584,8.39464958,5.936253418,4.844532794,2.26744179,3.444877806,3.615620149,2.76284262,1.893723899,0.393846964,3.44E-04,3.14E-27,5.56E-72,1.90E-138,1.25E-226,0,0,0,0,0,0,0,0,0,1.689557927,4.76886175,1.513992834,7.113725146,2.651980601,3.216633583,2.13383055,3.956330449,2.427847973,1.743326858,0.563100838,1.111002881,1.492185395,0.495110495,0.799196569,0.070470555,6.15E-05,5.62E-28,9.94E-73,3.39E-139,2.23E-227,0,0,0,0,0,0,0,0,0,5.109956015,4.769130128,4.968067684,12.42939411,9.63098911,7.82642106,7.451832134,11.04358534,8.117295765,6.670212208,3.480987738,5.002779655,4.690407687,4.521327431,2.425528222,0.644669347,5.63E-04,5.14E-27,9.09E-72,3.10E-138,2.04E-226,0,0,0,0,0,0,0,0,0,2.351936423,4.063910293,2.051071843,7.471117297,3.819363791,4.313713073,3.193763487,5.184129208,3.400638457,2.519395191,0.846704007,1.682555816,1.714018635,0.923483806,1.191548891,0.131515125,1.15E-04,1.05E-27,1.86E-72,6.33E-139,4.17E-227,0,0,0,0,0,0,0,0,0,7.243996809,1.328376478,0.573011576,0.792093162,0.14525102,0.586457691,0.405966166,0.375935773,9.145384863,14.53482409,29.19415895,0.688139742,1.368359629,5.049650915,0.73281729,0.245119385,0.837756538,0.121577211,0.286163529,0.123552658,0.069534908,6.02758759,5.11786655,12.05251144,0.756634808,0.479251095,5.828642935,0.944348538,0.361972385,0.816912748,0.132355056,0.380530556,0.20517268,0.151318422,7.134963857,7.955906306,17.08326406,0.725369123,0.737021658,7.179290805,1.310826002,0.563389403,0.792984578,0.144786558,0.576073108,0.395310053,0.363577973,9.05350621,14.1940429,28.5494947,0.689476868,1.334961134,6.212140915,1.048435134,0.41928886,0.808886743,0.136517393,0.431935113,0.252892358,0.202630106,7.679864909,9.557305448,19.96800994,0.713330115,0.887457577,7.450710944,1.384441226,0.603737927,0.789363036,0.146674155,0.62025587,0.44095643,0.416736848,9.438890097,15.64918785,31.31567777,0.684044554,1.477949148,7.175032745,1.313403603,0.562642729,0.792726777,0.145110168,0.575284757,0.396866256,0.362234173,9.051079077,14.19967085,28.55293401,0.689090165,1.334385187 +UMLMON0039,L,p-diethylbenzene,CCC1=CC=C(C=C1)CC,7734,UML source [1] more reliable than sandia independent api soure so use UML data,"Sandia, UML",[1],C10H14,PubChem,,93.9,0,0.0597,0.00356409,29.6417,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1500.364299,1247.39409,1088.949425,546.699218,275.495641,84.835296,9.144576,3346.887898,3979.09551,4674.696811,4282.804084,3581.172724,2742.121004,1881.72051,1061.424631,279.7536999,152.568096,145.6753,259.36554,290.575488,213.496796,191.254088,145.901476,123.32736,60.466176,23.35516286,28.53615172,35.91568508,33.26380117,26.60754845,22.19106228,18.37047215,12.01662072,4.001516144,3350.680532,2804.677982,5510.452524,6473.488352,4465.455747,4038.02074,3507.196353,3137.747111,1664.258868,90.77777778,54.5,97.58333333,97.83333333,97.25,77,31,24,9,69.4856748,68.35965826,44.12836174,32.82616026,40.33146019,22.77913408,13.11884005,4.713072,1.016064,167.3443949,209.4260795,137.4910827,112.7053706,132.6360268,114.2550418,89.60573856,58.96803508,31.08374443,7.6284048,7.667121053,7.628398235,7.646723368,7.907288741,7.968920333,6.947689333,6.85152,6.718464,1.167758143,1.501902722,1.056343679,0.875363189,0.985464757,0.924627595,0.874784388,0.66759004,0.444612905,167.5340266,147.6146306,162.0721331,170.3549566,165.3872499,168.2508642,167.0093502,174.3192839,184.917652,4.538888889,2.868421053,2.870098039,2.574561404,3.601851852,3.208333333,1.476190476,1.333333333,1,0.264974899,-0.162669775,0.060631094,-0.022454392,0.034122883,-0.056470629,0.004961017,0.00415113,0.005241222,715.056216,-13.739645,42.068427,63.328746,-186.406063,-539.106382,-28.866791,97.8336,207.36,931.2646053,-148.2416011,-210.4695091,243.6829002,-173.253281,-347.4233429,-134.0927589,40.28781217,263.877478,1.9334688,0.00145024,0.75963024,-0.59656992,-0.69045088,-1.15689376,0.22982176,0.27724608,0.20903184,4.097118945,-1.072153629,-1.377869305,1.080326084,-0.655980325,-0.09763506,-0.70258381,-0.112758311,0.890094883,23.01673804,-6.548761719,-7.89227958,5.554007487,-3.673159368,1.538504135,-3.884177916,-1.005980191,4.403478133,37.42222222,-0.978888889,10.79888889,-8.224444444,-8.753333333,-22.30666667,3.723333333,3.42,3.61,0.013248745,-0.008561567,0.001783267,-5.91E-04,0.00126381,-0.002352943,2.36E-04,2.31E-04,5.82E-04,35.7528108,-0.723139211,1.237306676,1.666545947,-6.903928259,-22.46276592,-1.374609095,5.4352,23.04,46.56323026,-7.80218953,-6.190279679,6.4127079,-6.416788185,-14.47597262,-6.385369473,2.238211787,29.31971978,0.09667344,7.63E-05,0.022342066,-0.015699208,-0.025572255,-0.048203907,0.010943893,0.01540256,0.02322576,0.204855947,-0.056429138,-0.040525568,0.028429634,-0.024295568,-0.004068128,-0.033456372,-0.006264351,0.098899431,1.150836902,-0.344671669,-0.23212587,0.146158092,-0.13604294,0.064104339,-0.184960853,-0.055887788,0.489275348,1.871111111,-0.051520468,0.317614379,-0.216432749,-0.324197531,-0.929444444,0.177301587,0.19,0.401111111,-0.646217218,0.134598974,-0.044600833,0.09539096,-0.177597418,0.017831042,0.017406807,0.043955712,-0.02022608,0.034607256,0.046613005,-0.193101692,-0.628279719,-0.038447581,0.152021614,0.644424857,-0.167561174,-0.132943519,0.137720426,-0.137808055,-0.310888496,-0.137133301,0.048068224,0.629675382,7.90E-04,0.231108626,-0.162394226,-0.264522032,-0.498626165,0.113204758,0.159325664,0.240249649,-0.275457653,-0.197824707,0.13877866,-0.118598302,-0.019858479,-0.163316576,-0.030579296,0.482775496,-0.299496539,-0.201701796,0.127001569,-0.11821218,0.055702367,-0.160718563,-0.048562736,0.425147427,-0.027534692,0.169746402,-0.115670709,-0.173264714,-0.496733967,0.09475738,0.101543943,0.214370546,1.62851345,0.930703566,1.343289105,1.493119625,1.344476689,0.106082358,0.086570154,1.86E-04,1.04922138,0.951186959,0.947623774,1.282683589,1.722799611,0.765925185,0.536147629,0,1.505949528,1.1618184,0.728478123,1.078795323,1.180434936,1.093602754,0.765521928,0,0.713221749,0.738250888,1.368233095,1.724732636,2.121799173,0.055489215,0.038842451,0,1.749688453,1.254801494,0.698421089,1.067822661,0.890994962,1.11123739,0.777866173,0,1.787392882,1.264308948,0.715586417,1.090687249,0.846220953,1.074490731,0.752143512,0,0.585659145,0.514771378,1.152390143,1.999538137,2.528021081,0.066487106,0.084619952,0,33.21907411,16.85953706,25.91268375,33.59407411,4.199259264,16.85953723,0.5,0.105013682,0.01312671,-1.802931704,39.43368775,4.929210969,2.939696376,33.23136939,16.86495027,25.92086107,33.60526776,4.200658469,16.86495045,0.498531158,0.104670946,0.013083868,-1.805546954,39.49610725,4.937013407,2.940961693,44.21508734,21.70854919,33.80665072,43.61659562,5.452074452,21.70854919,-0.797988956,0.118410441,0.014801305,-1.706878702,35.44462892,4.430578614,2.854377384,33.2442738,16.8706317,25.92944552,33.617016,4.202127,16.87063187,0.4969896,0.10431144,0.01303893,-1.808299388,39.56200611,4.945250764,2.942295373,55.97724492,26.9063282,42.92426778,54.35380353,6.794225441,26.9063282,-2.164588529,0.227362217,0.028420277,-1.184968692,26.81262353,3.351577941,2.631098243,34.50814645,17.42720741,26.77993808,34.76784773,4.345980966,17.42720751,0.346268372,0.070175968,0.008771996,-2.125399491,48.71049173,6.088811467,3.108715554,31.97576047,16.27344185,25.64360397,32.56266523,4.070333154,16.27344225,1.173809524,0.28245768,0.03530721,-1.011381236,28.05713832,3.50714229,2.667394468,0,11.89,15.99591765,-0.315928884,0.261460029,4.036120259,6.623571333,7,19,18,18,6,1,1,0,0,1,15.992484,3.537611022,3.132679512,2.842699184,2.108529945,1.882238485,1.332142787,0.972610279,0.083923071,1.79909224,1.643438346,1.290118796,0.886552498,0.713561051,0.392074982,0.083923071,0.083923071,3.443365196,3.123112474,2.789717709,2.092902871,1.825098464,1.401367708,0.604413297,0.270913902,1.775990975,1.590373658,1.267563122,0.830754764,0.636238179,0.394889304,0.270913902,0.270913902,3.625201307,3.330431606,3.028744274,2.441163083,2.214926603,1.85762264,1.226893445,0.943918427,1.563360397,1.322630809,0.971000445,0.406637391,0.19624047,0.115804251,0.943918427,0.943918427,3.435547041,3.136422988,2.786686652,2.107607415,1.855242905,1.461382187,0.459593576,0.399277246,1.773684874,1.553926179,1.253921883,0.788644534,0.587262223,0.328177801,0.399277246,0.399277246,3.648612275,3.400877003,3.083619582,2.548212571,2.331326302,2.029021227,1.208936353,1.207644823,1.525444925,1.253510269,0.914703197,0.30473534,0.071088462,0.275873142,1.207644823,1.207644823,4.857552016,3.394095407,3.285732229,2.630612111,2.399090604,1.704408762,1.52568637,0.590163934,1.631664843,1.392915434,0.969638151,0.508471971,0.33100058,0.184054463,0.590163934,0.590163934,0,0,1,0,0,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.40824829,0.552585858,0.288675135,0.083333333,0.112796116,0.058925565,6.405777394,3.808060412,2.682521985,1.562948829,1.129936127,0.288675135,0.144337567,0,0.800722174,0.54400863,0.383217426,0.260491471,0.225987225,0.144337567,0.144337567,0,5.437816924,2.964690378,1.55502117,0.75944935,0.437280567,0.144337567,0.072168784,0,0.679727116,0.423527197,0.222145881,0.126574892,0.087456113,0.072168784,0.072168784,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.3496,31.541,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,61,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,1,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.06416667,-0.087962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.119166667,0.5125,0,0,0,0,0,0,0,0,0,0,3.768333333,0,1.92212963,0,0,0,0,0,0,-0.087962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.42083333,4.643333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.643333333,-0.087962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305625,0.5125,0,0,0,0,0,0,0,0,0,0,1.813055556,0,0.498842593,0,0,0,0,0,0,-0.087962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.42083333,4.643333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.42083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,1.955277778,0,0.873842593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.42083333,4.643333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.66666667,2.583333333,0.577083333,10.42083333,0.265555556,-0.087962963,2.566789259,1.75462963,3.420833333,9.128333333,1.75462963,3.420833333,9.128333333,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.36364,0.13636,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,5.68199,0.71025,8.49821,2.81622,0.35203,2.72862,0.34108,3.80805,1.07943,0.13493,0.10595,0.01324,0.10595,0.01324,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,2.070950594,3.246439345,3.546439345,3.446439345,2.892598565,25.90923688,41.41901189,64.92878689,70.92878689,68.92878689,57.8519713,0.299741647,0.479172848,0.751155335,0.820568799,0.797430977,0.669284287,3.026466251,2.2509775,1.07548875,0.77548875,0.87548875,1.42932953,0.299741647,0.479172848,0.751155335,0.820568799,0.797430977,0.669284287,12.01211119,21.71746765,24.00137214,24.30371965,23.10371965,18.65606528,29.38046565,17.93632218,16.35670797,15.69343894,17.0865958,18.42570357,8,5.142857143,5,8,3,4,1.9,1.0284,0.166666667,2.481111325,0.666666667,0,1.310370697,1.889881575,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,3.358,7,6,5,2,1,0,0,0,0,36,2.197224577,2.302585093,2.197224577,2.079441542,1.098612289,0.693147181,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.666666667,0.375,0.08,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.0625,0.016,0.027777778,0,0,0,0,0,0.415801587,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,26.3,127.2763612,4,3.36729583,4.007333185,4.709530201,5.370638028,6.084499413,6.751101469,7.467942332,8.135932772,8.853522561,69.74779579,2.708050201,0,3.761200116,0,4.990432587,0,6.304448802,0,7.656810091,7.96241568,116.0837296,5.804186481,14.6584741,1.832309262,5.257553224,5.257553224,0,75,6,1.486,28,1.230631579,2.107692726,2.83790034,3.685315237,4.837303943,5.714353202,6.877477724,7.811163989,0,0,94.58963281,102.410161,103.9696851,172.6294289,123.8158628,87.68888911,34.63293718,7.936642527,0,0,279.0386343,308.5179451,345.692627,541.1101439,590.5811098,561.5951989,422.2870862,242.8002251,0,0,9.500427541,16.2091211,21.77606087,29.09430426,38.59910456,39.86715944,47.20103442,52.47902406,0,0,1.953218228,2.322757739,2.627486544,3.943137699,4.703755219,5.341560945,4.725163205,3.472944311,0,0,180.0610686,338.6383165,480.1443277,598.7349254,807.9290195,941.6552918,1192.516008,1444.422104,0,0,3.629951754,6.387920945,7.452444857,13.22144738,15.49822181,8.819608703,9.370032032,7.811163989,0,0,0.448387105,0.564458264,0.65428571,0.993848441,1.160595613,1.153783288,1.047229192,0.799863192,0,0,350.4533653,257.3527537,11.84709391,181.5206099,-133.2982743,-19.82019994,168.9327554,390.651028,31.66729384,0.658779154,0.483769443,0.022270063,0.341220846,-0.250572924,-0.037257838,186.4320699,136.9049674,6.302345641,96.56424046,-70.91121287,-10.54383055,0.356006591,0.430170979,2.015266895,4.336776503,481.9716257,50.00234953,0.906006023,0.093993977,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,971.5275797,31.16933717,9.904176654,1.993727069,1.993727069,659.3854423,597.8854594,78.22937909,1.102862483,8.428872246,7.642722803,4.120236011,4.434143809,8.525339268,0.922657368,3.360032699,4.293028381,3.240085853,11.33115018,5.582960372,1.729145221,3.725581991,6.01877549,2.067922781,2.379333134,3.09487782,2.381686651,1.639284772,3.215169661,0.041033352,1.975447144,3.28E-10,1.11E-41,7.22E-95,9.06E-170,2.20E-266,0,0,0,0,0,0,0,0,0,0.298491782,4.443993512,0.286487086,3.380371613,0.198553387,1.674762016,0.528048428,0.545834436,0.035481068,0.18264164,1.930208602,0.109958855,0.217084039,0.022736344,0.003440122,0.013913236,2.31E-12,7.81E-44,5.08E-97,6.38E-172,1.55E-268,0,0,0,0,0,0,0,0,0,0.91615042,4.162911006,0.669223861,3.858250584,0.594498281,1.526609338,0.798792738,1.169392749,0.185643936,0.376725247,2.146680987,0.414211176,0.355183871,0.236208745,0.011107455,0.144986644,2.41E-11,8.13E-43,5.30E-96,6.65E-171,1.61E-267,0,0,0,0,0,0,0,0,0,3.176711882,4.44359216,3.540745267,12.06376422,5.525413073,1.809895144,3.798421291,6.253598238,1.853500277,2.675154216,3.016056015,2.18620294,1.498374758,2.86472069,0.038729712,1.76008784,2.92E-10,9.87E-42,6.43E-95,8.07E-170,1.96E-266,0,0,0,0,0,0,0,0,0,1.342655413,4.056109269,0.855571454,4.238142845,0.943026089,1.479427549,1.029370938,1.555316764,0.367495943,0.453557981,2.301595452,0.67041657,0.495176899,0.512852985,0.016372694,0.314930364,5.23E-11,1.77E-42,1.15E-95,1.44E-170,3.50E-267,0,0,0,0,0,0,0,0,0,4.057749124,4.38850086,4.430148338,14.91546658,8.140938654,1.831598152,5.036179549,8.295412795,2.976984805,3.446462693,3.39525969,3.169524351,2.222146841,4.688727234,0.049565205,2.881004004,4.79E-10,1.62E-41,1.05E-94,1.32E-169,3.20E-266,0,0,0,0,0,0,0,0,0,2.093644735,4.437090455,2.787832971,13.84667035,4.137845577,1.850732743,3.301394173,6.691945823,0.762161154,2.158107699,2.587399245,1.040634223,0.878793043,1.120233593,0.028567338,0.68803534,1.14E-10,3.86E-42,2.51E-95,3.16E-170,7.65E-267,0,0,0,0,0,0,0,0,0,7.657035099,0.804275432,0.414987615,0.86263834,0.09060933,0.607354384,0.476857155,0.499981437,8.876298146,9.66970429,21.10164773,0.79395751,1.584192977,5.100960598,0.638918684,0.072022644,0.877674927,0.109932806,0.269428505,0.300847849,0.015059888,5.811901926,3.672500317,9.719131172,0.81651239,0.585336241,6.515520851,0.615744993,0.210524282,0.887456702,0.083868509,0.439699572,0.279513342,0.128673169,7.341790125,5.513203957,13.69959631,0.831185053,0.847886083,7.369867247,0.820344462,0.391942828,0.858743246,0.09558724,0.562630282,0.496115069,0.445994038,8.582154537,9.25592452,20.20769868,0.788114869,1.504739389,7.132247079,0.630391349,0.281990891,0.886584925,0.078361765,0.526926243,0.292963688,0.230862698,8.044629319,6.685100179,15.99759067,0.829877387,1.05075263,7.732411114,0.836856981,0.437491478,0.858511993,0.092914324,0.619375155,0.516272322,0.555677491,9.006759573,10.21990398,22.05763688,0.78776799,1.691324967,7.43027877,0.834180404,0.395511045,0.858002809,0.096326013,0.571918528,0.512975106,0.454151592,8.659970219,9.466877833,20.57830182,0.787004213,1.539045226 +UMLMON0040,L,Ethyl buanoate,CCCC(=O)OCC,7762,"""ETHYL BUTYRATE ""","Sandia, UML",[11],C6H12O2,UML,ethyl butanoate (spelling),106.2,0,2.2962,5.27253444,39.5198,20.74793,6,6,18,8,10,0,8,0,0,0,0,0,0,0,0,0,1164.273608,1275.183848,1618.236826,1302.451087,544.894898,231.131545,72.642528,9.144576,0,3698.972658,4535.501378,6027.984113,5780.464594,3576.938553,1547.109022,688.4196982,279.7536999,0,127.508768,131.500448,215.362792,237.043708,251.492168,144.304804,42.705792,60.466176,0,26.75732905,33.4466431,46.14629777,47.13658925,34.07326687,15.69474653,6.68126586,4.001516144,0,2863.531369,2545.580326,4521.165141,4932.336942,5904.886795,3634.376771,918.7352863,1664.258868,0,39.55555556,48,68,75.44444444,60.66666667,28,12,9,0,64.68186711,70.84354711,53.94122753,39.46821476,15.13596939,11.00626405,12.107088,1.016064,0,205.498481,251.9722988,200.9328038,175.1655938,99.35940425,73.67185819,114.7366164,31.08374443,0,7.083820444,7.305580444,7.178759733,7.183142667,6.985893556,6.871657333,7.117632,6.718464,0,1.48651828,1.858146839,1.538209926,1.428381492,0.946479635,0.747368882,1.11354431,0.444612905,0,159.0850761,141.4211292,150.7055047,149.4647558,164.0246332,173.0655605,153.1225477,184.917652,0,2.197530864,2.666666667,2.266666667,2.286195286,1.685185185,1.333333333,2,1,0,0.041982015,0.001539808,-0.002835092,-0.03000414,-0.01154366,0.021532128,-0.006612255,0.006932205,0,538.0711511,3.27E-13,98.6463777,-408.0372896,-188.3249029,192.8088291,-179.3570504,215.2284604,0,1000.566282,-4.26E-14,183.4371517,-758.7627638,-350.1981987,358.536251,-333.522094,400.2265128,0,0.105404444,1.52E-15,0.019324148,-0.079931704,-0.036891556,0.037769926,-0.035134815,0.042161778,0,4.472996822,3.94E-15,0.820049417,-3.39202259,-1.565548888,1.602823861,-1.490998941,1.789198729,0,24.29738973,4.40E-14,4.45452145,-18.42552054,-8.504086404,8.706564652,-8.099129909,9.718955891,0,3.901234568,-0.790123457,1.695473251,-2.744855967,-2.197530864,2.041152263,-1.448559671,1.49382716,0,0.002332334,8.55E-05,-9.45E-05,-9.09E-04,-3.21E-04,0.001025339,-0.001102043,7.70E-04,0,29.89284173,1.82E-14,3.28821259,-12.36476635,-5.231247302,9.181372817,-29.89284173,23.91427338,0,55.58701566,-2.37E-15,6.114571723,-22.99281102,-9.727727741,17.07315481,-55.58701566,44.46961253,0,0.005855802,8.46E-17,6.44E-04,-0.002422173,-0.001024765,0.001798568,-0.005855802,0.004684642,0,0.248499823,2.19E-16,0.027334981,-0.102788563,-0.043487469,0.076324946,-0.248499823,0.198799859,0,1.349854985,2.44E-15,0.148484048,-0.558349107,-0.236224622,0.414598317,-1.349854985,1.079883988,0,0.216735254,-0.043895748,0.056515775,-0.083177454,-0.061042524,0.097197727,-0.241426612,0.165980796,0,0.036677806,-0.040518661,-0.389831097,-0.137483401,0.439619435,-0.472506291,0.330246396,0,6.07E-16,0.11,-0.413636364,-0.175,0.307142857,-1,0.8,0,-4.26E-17,0.11,-0.413636364,-0.175,0.307142857,-1,0.8,0,1.44E-14,0.11,-0.413636364,-0.175,0.307142857,-1,0.8,0,8.81E-16,0.11,-0.413636364,-0.175,0.307142857,-1,0.8,0,1.81E-15,0.11,-0.413636364,-0.175,0.307142857,-1,0.8,0,-0.202531646,0.260759494,-0.383774453,-0.28164557,0.448462929,-1.113924051,0.765822785,0,0.96731211,0.993093135,1.479049058,1.143847354,0.48951253,0.921450203,0,0,1.0625,0.8925,1.390909091,1.0625,0.546428571,1.9125,0,0,1.0625,0.8925,1.390909091,1.0625,0.546428571,1.9125,0,0,1.0625,0.8925,1.390909091,1.0625,0.546428571,1.9125,0,0,1.0625,0.8925,1.390909091,1.0625,0.546428571,1.9125,0,0,1.0625,0.8925,1.390909091,1.0625,0.546428571,1.9125,0,0,1.291139241,0.64556962,1.437859609,1.223892405,0.276672694,2.178797468,0,0,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,25.6517298,12.75919824,18.61519495,25.6267298,3.203341226,12.75920965,-0.05,3.33E-16,4.16E-17,-28.51055062,39.04919554,4.881149442,2.93185782,0,11.85,12.15008271,-0.208589204,0.091499259,5.84578125,7.659085743,8,18,15,12,2,3,0,0,0,6,10.93207,3.799577752,3.025396389,2.619181914,2.384946851,1.842719103,0.941428501,0.362339541,0.280919995,1.98899578,1.517066688,1.216938438,1.082250302,0.637206443,0.310513972,0.083923071,0.083923071,3.810779039,3.053343152,2.645815032,2.448321326,1.904489599,1.053336623,0.477714833,0.427232027,1.957388135,1.4383458,1.110593711,1.007167592,0.531896723,0.150156259,0.270913902,0.270913902,3.862194007,3.18743532,2.771820215,2.716126481,2.158952528,1.517793787,0.957008449,0.956724315,1.87294753,1.216149863,0.798620231,0.767072651,0.206597349,0.396843083,0.943918427,0.943918427,3.819136668,3.074565934,2.665925019,2.494510478,1.949078733,1.134811365,0.562249297,0.528462823,1.938086149,1.388772714,1.040211722,0.960278991,0.463824367,0.041902902,0.399277246,0.399277246,3.888755316,3.258431154,2.838821757,2.838078588,2.273637886,1.721464227,1.207644823,1.207644823,1.848797093,1.151850519,0.738564276,0.650190428,0.097067588,0.594311107,1.157463255,1.161375552,3.8165219,3.077733288,2.722592367,2.567249127,1.986153783,1.230214688,0.609872562,0.598673466,1.932706055,1.354128395,0.954599352,0.889742168,0.414770323,0.067369896,0.52173913,0.52173913,0,0,0,4,2,2,0,0,0,0,0,0,0.083333333,0.166666667,0,0,0,0.027777778,0.055555556,0.577350269,0,0,0,0.333333333,0,0,0,0.816496581,0.760079655,1.138071187,0.384900179,0.303561201,0.414672312,5.983127663,3.7876937,3.365043969,2.304530453,1.426746322,1.304737854,0.333333333,0,0.747890958,0.473461713,0.336504397,0.230453045,0.142674632,0.108728155,0.083333333,0,5.309401077,2.821367205,2.154700538,1.218233513,0.636894534,0.525783423,0.111111111,0,0.663675135,0.352670901,0.215470054,0.121823351,0.063689453,0.043815285,0.027777778,0,10.70913902,17.43918427,16.62745098,16.8,11.99277246,135.3693593,0.594952168,0.96884357,0.923747277,0.933333333,0.666265136,7.52051996,1.74264,33.722,30.70152702,40.30404889,61.40305404,7.675381755,30.70152702,0.094421893,0.011802737,-1.887985849,23.37145629,2.921432036,2.521212369,58,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,4,0,0,0,0,0,0,0,0,2,0,0,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.626388889,0,0,0,0,1.626388889,0,0,0,0,0,0,0,0,4.193333333,0,0,0,0,8.481481481,0,0,0,0,2.658518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.329259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0,0.406597222,0,0,0,0,0,0,0,0,2.096666667,0,0,0,0,2.12037037,0,0,0,0,1.329259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0,0.406597222,0,0,0,0,0,0,0,0,2.096666667,0,0,0,0,2.12037037,0,0,0,0,1.329259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.33333333,1.916666667,0.406597222,2.12037037,0.1775,1.329259259,4.879186667,0.337407407,0.12037037,1.34962963,0.337407407,0.12037037,1.34962963,4,0.5,0,0,0.47778,0.7,0.43333,0.43333,0.7,0.04444,0.04444,0,0,0.71429,0,0,0.25,0.25,0,10,1.25,4,0.5,6,0.75,2,0.25,0,0,4.09034,0.51129,8.39431,4.30397,0.538,1.7065,0.21331,3.78768,2.08118,0.26015,0.12632,0.01579,0.21232,0.02654,0.333333333,8,0,0,0,0,0,0,0.25,0.99107606,2.197159723,2.197159723,2.419381946,2.419381946,2.197159723,17.83936908,39.54887502,39.54887502,43.54887502,43.54887502,39.54887502,0.237672394,0.526906293,0.526906293,0.580197952,0.580197952,0.526906293,3.178848942,1.972765278,1.972765278,1.750543056,1.750543056,1.972765278,0.225638533,0.500227901,0.500227901,0.550821289,0.550821289,0.500227901,6.714395846,15.2580338,15.2580338,17.92470047,15.48199492,15.2580338,29.66949396,25.1248139,25.1248139,22.0050139,24.60484724,25.1248139,6.125,2.52,1.8,0,6,0,2.34,0.9982,0.2,3.265986324,2,0,3.301927249,5.656854249,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,3.896,10,10,10,12,4,0,0,0,0,62,2.48490665,3.020424886,3.409496184,3.803880847,4.298135385,3.446011397,0,0,0,0,5.373250891,3.460685484,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,5,0.666666667,2,0.888888889,0.25,0.302222222,0,0,0,0,0,0,0.25,0.088888889,0.035714286,0.151111111,0,0,0,0,0,0,0.525714286,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,0,115.7585009,4,3.610917913,4.343805422,5.129898715,5.888877958,6.670766321,7.438971592,8.217438538,8.989319566,9.765890765,76.05588679,2.833213344,0,4.043051268,0,5.451038454,0,6.940222469,0,8.463159303,8.712924435,106.0782503,5.893236129,15.53282921,1.941603651,0,0,0,62,7,2.866,36,1.231350208,2.153769403,3.054081916,3.803147509,4.921182279,6.121223541,6.552566751,0,0,0,96.27497539,127.3553707,126.9106336,62.84478792,58.47853179,74.11019208,6.657827183,0,0,0,331.391896,462.6330381,552.0594153,403.2552061,370.313278,702.3284771,203.6783102,0,0,0,9.024660361,15.52079594,21.97216747,26.66740925,33.81586865,43.56861655,44.02318382,0,0,0,2.402651941,3.488991624,4.463319945,3.785854084,3.711402594,6.816253644,2.913355737,0,0,0,172.3376467,320.4353436,454.0796648,616.0766503,852.0166314,937.2973437,1211.685258,0,0,0,3.381661893,5.092398481,7.113058049,6.66284114,6.618832576,12.24244708,6.552566751,0,0,0,0.494081992,0.723624636,0.936202266,0.815232167,0.811309312,1.46909365,0.670982835,0,0,0,264.2921107,109.5841137,10.46647079,108.9695773,-45.18233448,-5.519303014,155.3225334,154.7664482,15.98577381,0.708061178,0.293585217,0.028040571,0.291938822,-0.12104734,-0.014786685,98.65011935,40.90355124,3.906732555,40.67416836,-16.86483444,-2.06014436,0.149598018,0.141303915,3.8620868,1.804189934,373.261688,0,1,0,604.8962865,24.59463938,8.457207237,702.6158965,26.50690281,8.890086578,980.0983618,31.30652267,9.933216191,1.833740952,1.833740952,413.5027283,328.6159416,91.62968927,1.258316095,4.512759256,3.586347877,3.705446905,4.288153178,6.664765497,0.554227478,3.1157585,2.872001084,3.665941125,7.416912782,0.135536587,4.808251928,4.302966477,5.908330452,0.88460686,1.326164933,1.452645365,1.83923252,2.73E-05,7.61E-31,4.94E-78,6.44E-147,1.67E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,0.261593628,2.871879065,0.283316288,4.151625241,0.011785942,0.286280831,0.429999584,0.38752184,0.006235093,0.051674526,0.121938123,0.012954489,1.93E-07,5.36E-33,3.48E-80,4.54E-149,1.17E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844189527,2.871887516,0.92997715,4.597598516,0.036964138,0.750601875,1.219391513,1.322219663,0.064937302,0.136838387,0.393563087,0.134990864,2.01E-06,5.58E-32,3.62E-79,4.73E-148,1.22E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,2.941028572,2.871987793,3.443362505,7.138993932,0.12793167,4.369143814,4.065454723,5.502350528,0.788172046,1.18623701,1.371180155,1.638723492,2.44E-05,6.78E-31,4.40E-78,5.74E-147,1.48E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,1.244123348,2.871898203,1.386896165,4.969228532,0.054272513,1.20554411,1.761629698,2.020933597,0.141040847,0.247257912,0.580025334,0.29321666,4.36E-06,1.21E-31,7.87E-79,1.03E-147,2.65E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,3.762704777,2.872056906,4.507644971,8.534507365,0.163727087,6.618324159,5.182832816,7.488700245,1.290100527,1.914543001,1.754274673,2.682345742,3.99E-05,1.11E-30,7.20E-78,9.39E-147,2.43E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,1.69634622,2.622347992,1.731884555,5.706314981,0.073846163,1.756600806,2.368033919,2.779708344,0.24081158,0.395814483,0.790869376,0.500662857,7.44E-06,2.07E-31,1.34E-78,1.75E-147,4.53E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.913938494,1.503401335,0.185827252,0.744179033,0.227678827,0.566059351,0.437948295,0.222237974,6.60316708,8.580138312,16.55612683,0.61626855,1.22624562,3.065824818,0.831967049,0.031761634,0.780196736,0.211720504,0.220350474,0.134116491,0.006492399,3.929553502,2.674465469,6.685032267,0.670295105,0.360959364,3.69988704,1.062333065,0.084619795,0.763360688,0.219180556,0.32091327,0.218672541,0.046083283,4.8468399,4.333490428,9.512929475,0.645041032,0.585669094,4.856591742,1.482567454,0.181046653,0.744852518,0.227380468,0.552924691,0.425894436,0.210950454,6.52020585,8.347908412,16.17169087,0.617278776,1.189769581,4.020698892,1.17888672,0.111363873,0.757058395,0.221972874,0.378975327,0.269288291,0.079815662,5.310949484,5.318994517,11.15780303,0.635587592,0.728079281,5.098376038,1.570406691,0.201202512,0.742123288,0.228589529,0.609348171,0.477855969,0.260535109,6.869985241,9.348299677,17.82921762,0.613184933,1.347739249,4.854883392,1.482877352,0.180720336,0.744787525,0.227488173,0.55253579,0.426072507,0.210190707,6.518481079,8.344558878,16.16408119,0.617181288,1.188799004 +UMLMON0041,L,p-xylene,CC1=CC=C(C=C1)C,7809,Sandia values from independent api report ,Sandia,,C8H10,PubChem,,101.2,0,-0.7667,0.58782889,31.1711,23.259102,0,0,23,9,14,0,7,0,2,0,0,0,0,0,0,0,1536.009745,1467.311804,1650.192872,1454.273155,1137.947589,898.906268,702.149539,307.657897,78.738912,3832.572288,4632.085644,5676.308337,5555.07713,4721.063408,3654.726637,2647.928293,1675.784234,874.9221648,173.54554,167.45108,301.955216,347.198116,316.9281,265.94048,203.05558,140.266468,83.016576,27.03328867,33.55214034,44.4741589,45.35952181,38.83004553,30.87189014,21.85036128,14.2329069,9.348943289,3847.310193,3237.717434,6440.16748,7792.668112,7022.167554,6097.165481,4618.210326,3113.018667,2028.241198,95.02777778,60.75,103.9166667,108.3333333,106.5833333,79.41666667,70.5,50,18,66.78303239,66.69599109,41.2548218,30.94198202,27.09399021,24.96961856,26.00553848,17.09210539,6.561576,166.6335777,210.5493475,141.9077084,118.1931304,112.4062716,101.5201844,98.07141824,93.09912411,72.9101804,7.545458261,7.611412727,7.5488804,7.387193957,7.545907143,7.387235556,7.520577037,7.792581556,6.918048,1.175360377,1.525097288,1.111853972,0.965096209,0.924524894,0.857552504,0.80927264,0.79071705,0.779078607,167.2743562,147.1689743,161.004187,165.8014492,167.1944656,169.3657078,171.0448269,172.9454815,169.0200999,4.131642512,2.761363636,2.597916667,2.304964539,2.537698413,2.206018519,2.611111111,2.777777778,1.5,0.273068304,-0.153941587,0.031960938,0.013730048,-0.037960813,0.008298328,0.030620113,-0.041394299,0.001113403,799.1117029,-15.00476101,-49.35780647,23.67823622,-254.0922898,11.34199864,2.616396371,-266.1244476,-47.4085995,1081.795272,-149.5950004,-203.5400037,-13.0093392,-214.6578949,17.30891135,16.14615326,-114.450751,-137.7484193,1.975925913,0.013204083,0.649213369,-0.160249301,-0.632921059,-0.200742473,-0.270254941,-0.664586888,0.103940915,4.769103567,-1.066326256,-0.81783724,-0.366923567,-0.506944012,-0.079408475,-0.082108732,0.332236199,-0.702102946,26.67799994,-6.490143964,-3.956324616,-2.622008924,-2.235773579,-0.809084441,-0.852528195,3.00277212,-3.911578793,38.15700483,0.358275572,9.933469859,-1.101029196,-14.42800882,-4.539224953,-1.901701323,-10.84751103,0.497794581,0.011872535,-0.006997345,7.99E-04,2.92E-04,-9.04E-04,2.31E-04,0.001134078,-0.002299683,9.28E-05,34.74398708,-0.682034591,-1.233945162,0.50379226,-6.049816423,0.315055518,0.096903569,-14.78469154,-3.950716625,47.03457702,-6.799772747,-5.088500091,-0.276794451,-5.110902259,0.480803093,0.598005676,-6.358375055,-11.47903494,0.085909822,6.00E-04,0.016230334,-0.00340956,-0.015069549,-0.00557618,-0.010009442,-0.036921494,0.008661743,0.207352329,-0.048469375,-0.020445931,-0.007806884,-0.012070096,-0.002205791,-0.003041064,0.018457567,-0.058508579,1.159913041,-0.295006544,-0.098908115,-0.055787424,-0.053232704,-0.022474568,-0.031575118,0.166820673,-0.325964899,1.65900021,0.016285253,0.248336746,-0.023426153,-0.34352402,-0.126089582,-0.070433382,-0.602639502,0.041482882,-0.589372436,0.067300155,0.024605418,-0.076127708,0.019415324,0.095521156,-0.19369775,0.007814979,-0.019630291,-0.035515359,0.014500128,-0.174125566,0.009067915,0.002789075,-0.425532381,-0.113709363,-0.144569659,-0.108186369,-0.005884914,-0.10866266,0.010222333,0.012714171,-0.135185122,-0.244055239,0.006986228,0.188922917,-0.039687657,-0.175411246,-0.06490736,-0.116511035,-0.429770343,0.100823662,-0.233753706,-0.098604781,-0.037650334,-0.058210562,-0.010637889,-0.014666168,0.089015478,-0.282169866,-0.254335052,-0.085272009,-0.048096212,-0.045893703,-0.01937608,-0.02722197,0.143821707,-0.281025291,0.009816306,0.149690606,-0.014120645,-0.207066893,-0.076003355,-0.042455319,-0.363254626,0.025004748,1.584109521,0.984943229,0.925312729,1.065572511,0.897535693,1.095157547,1.464213124,0.161558657,1.090358552,1.034548099,0.915485414,1.160864139,0.911384472,0.968289213,1.494076747,0.833254033,1.504503624,1.16850344,0.971271864,1.030160034,0.876792745,0.829922305,0.918715983,1.144579577,0.709899086,0.76310685,0.87788863,1.315311172,0.996633409,1.309284957,2.129580632,0.066013609,1.714180848,1.192683652,1.003531124,0.974095582,0.87500543,0.822773043,0.65886919,1.160665414,1.747015013,1.185335401,1.009607197,0.967895706,0.878738061,0.837703566,0.626203804,1.127071739,0.554725581,0.520910616,0.927717894,1.610721746,1.004985124,1.239437165,2.074033044,0.144141293,45.59740545,23.04870272,36.90887934,45.98629433,5.109588259,23.04870272,0.5,0.189503468,0.021055941,-1.497013157,36.26179794,4.029088661,3.23168831,45.60748959,23.05301037,36.91414562,45.99523604,5.110581782,23.05301037,0.498531158,0.189300454,0.021033384,-1.497977838,36.2619753,4.029108367,3.231692712,54.74364989,26.97283047,41.93279417,54.12299182,6.013665757,26.97283047,-0.797988956,0.006888766,7.65E-04,-4.480076939,43.3658146,4.818423845,3.392704304,45.61807373,23.05753167,36.91967364,46.0046212,5.111624578,23.05753167,0.4969896,0.189087381,0.021009709,-1.498991435,36.26217384,4.029130426,3.231697639,64.72824045,31.28182596,48.0240176,63.04467159,7.00496351,31.28182596,-2.164588529,0.181600119,0.020177791,-1.535353341,50.60424359,5.622693733,3.531631894,46.6566905,23.50147944,37.46522542,46.92601035,5.214001149,23.50147944,0.346268372,0.168206623,0.018689625,-1.604305939,36.3440455,4.038227277,3.233727342,48.22765984,24.28870741,40.2682333,48.69279777,5.410310863,24.28870741,1.174603175,0.289709943,0.032189994,-1.114987549,37.14223188,4.126914654,3.253279183,0,11.99632006,15.9982593,-0.349589123,0.261215741,3.996822445,7.054206274,8,22,21,21,7,1,1,0,0,1,18.178898,3.548326563,3.264966179,2.815569099,2.537774284,2.049472931,1.511704076,1.168822574,1.085160348,1.871193283,1.599497674,1.416228458,1.156920087,0.799938421,0.569473718,0.400948043,0.083923071,3.499199422,3.197380463,2.795957385,2.50682941,2.038015646,1.568893035,1.278105062,0.634216703,1.825117274,1.590039841,1.362787373,1.090289639,0.742445146,0.489308491,0.36352774,0.270913902,3.652169788,3.405751385,3.053613671,2.777630858,2.373256538,1.986452783,1.758409614,1.255949894,1.633659374,1.336243715,1.033834972,0.761573641,0.339276477,0.005659841,0.171849612,0.943918427,3.506601395,3.187439316,2.805350997,2.525959563,2.055361123,1.619739597,1.3590943,0.465144215,1.804251707,1.588884991,1.320832899,1.051700886,0.707891748,0.425790806,0.269194954,0.399277246,3.690921526,3.441470125,3.137149909,2.860286179,2.475100364,2.143780586,1.955503145,1.209058028,1.585746856,1.294911788,0.95386135,0.673948094,0.241664401,0.140177699,0.361326013,1.207644823,4.915470075,3.442922778,3.315543106,2.999144554,2.410657628,1.959926776,1.755114049,1.491499724,1.749498632,1.363043847,1.036156006,0.844841936,0.430392845,0.160700989,0.194355565,0.6,0,0,1,0,0,1,4,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.49279928,0.348461713,0.24639964,0.100592232,0.071129449,0.050296116,7.112884175,4.308060412,3.009201922,1.997400241,0.946923425,0.535074775,0.348461713,0.102062073,0.790320464,0.538507552,0.37615024,0.285342892,0.189384685,0.133768694,0.116153904,0.102062073,6.144923706,3.377156753,2.033239394,1.212125132,0.62139964,0.299230856,0.153093109,0.051031036,0.682769301,0.422144594,0.254154924,0.173160733,0.124279928,0.074807714,0.051031036,0.051031036,12.22239284,22.87618354,21.77647059,22.12,13.55036048,177.5068275,0.531408384,0.994616676,0.946803069,0.96173913,0.589146108,7.717688154,1.7397,36.158,25.41191019,39.68761279,50.82382038,5.647091153,25.41191019,0.089797579,0.009977509,-2.16917754,37.38194553,4.153549503,3.259069063,85,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,1,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.92223639,-0.094027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.71189059,0.5125,0,0,0,0,0,0,0,0,0,0,3.533291761,0,3.805166289,0,0,0,0,0,0,-0.094027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46440193,4.457834467,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.457834467,-0.094027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252862812,0.5125,0,0,0,0,0,0,0,0,0,0,1.424880008,0,0.57375,0,0,0,0,0,0,-0.094027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46440193,4.457834467,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46440193,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,2.108411754,0,1.149795918,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46440193,4.457834467,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.16666667,2.462962963,0.566850907,10.46440193,0.252862812,-0.094027778,3.373730109,1.760694444,3.464401927,9.061296296,1.760694444,3.464401927,9.061296296,4.16666,0.46296,0,0.03704,0.52319,0.87037,0.42414,0.52319,0.87037,0.09905,0,-0.09905,0,0.53191,0.18238,0,0.32,0.12,0,6.25,0.69444,4.75,0.52778,1.5,0.16667,-3.25,-0.36111,0,0,6.91544,0.76838,9.9223,3.00686,0.3341,3.18293,0.35366,4.30805,1.12513,0.12501,0.10595,0.01177,0.10595,0.01177,0,8.02,2,2,2,2,0,0,0.857142857,1.264672679,1.999307329,3.348798912,3.675310869,3.464234653,3.762267391,29.08747163,45.98406858,77.02237498,84.53214998,79.67739701,86.53214998,0.279574524,0.441976334,0.740301326,0.812481603,0.765820096,0.831704623,3.258889277,2.524254627,1.174763044,0.848251087,1.059327303,0.761294565,0.279574524,0.441976334,0.740301326,0.812481603,0.765820096,0.831704623,11.60803893,20.77103861,24.40354894,23.77677456,23.56404667,24.82025282,32.94327953,20.86971424,17.35413965,17.47483124,18.10523139,16.15819021,9,6.125,5.87755102,9,3,6,2.01,1.1693,0.142857143,2.576474029,0.632455532,0,3.965406457,1.807204007,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,3.857,8,7,5,4,3,1,0,0,0,45,2.302585093,2.397895273,2.302585093,1.945910149,1.791759469,1.609437912,0.693147181,0,0,0,3.988984047,1.177777778,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.625,7,0.875,0,4,7,0.75,1.5,0.666666667,0.25,0.16,0.111111111,0.040816327,0,0,0,0,0.1875,0.083333333,0.035714286,0.032,0.027777778,0.013605442,0,0,0,0,0.379930839,25.41191019,39.68761279,50.82382038,5.647091153,25.41191019,0.089797579,0.009977509,-2.16917754,37.38194553,4.153549503,3.259069063,26.3,144.5723458,4.169925001,3.496507561,4.143134726,4.828313737,5.501258211,6.196444128,6.876264612,7.5750717,8.257126286,8.957381736,72.8315027,2.833213344,0,3.891820298,0,5.117993812,0,6.411818268,0,7.739359203,8.053251154,130.0993797,5.656494769,16.65751855,1.850835395,5.120782991,5.120782991,0,110,7,2.201,32,1.233227273,2.115662693,2.862637971,3.618101332,4.869059934,5.872890352,7.151454554,8.21855873,9.206464991,0,92.90307534,96.48572755,100.3001323,119.4299573,139.3443689,174.8171475,134.0451451,57.3706715,9.354357644,0,281.9160909,321.2573092,366.6716946,464.1923224,537.8241333,626.7819959,702.5309276,625.1924065,286.1714049,0,9.447098999,16.06774347,21.20918031,27.35500377,36.15051367,44.40618477,55.90064078,56.98033303,61.85330361,0,1.992608666,2.470228826,2.920977756,3.708275048,4.424366345,5.040518414,5.880920373,6.610619207,4.093313143,0,179.7781318,337.2739014,471.2347513,592.4862502,816.8983509,994.0461284,1230.109084,1379.228633,1702.43789,0,3.502094697,5.75640697,6.691373754,9.153149998,11.0409019,15.79064193,20.03395605,12.6383571,9.206464991,0,0.450467386,0.575466985,0.681973649,0.879499401,1.059799372,1.263111034,1.479927356,1.44974467,0.942742015,0,389.9452794,313.1594639,14.18721552,179.1822833,-143.898723,-21.77711878,210.7629961,457.0581869,35.9643343,0.685163231,0.550244768,0.024928006,0.314836769,-0.252840896,-0.038264038,221.9286064,178.2276824,8.074335391,101.9775761,-81.8967295,-12.39395853,0.325229487,0.397157327,2.086517872,6.967323289,514.041658,55.08590459,0.903209916,0.096790084,648.0661598,25.45714359,8.653791915,783.6846649,27.99436845,9.219636166,1070.552975,32.71930585,10.22985287,2.764764615,2.764764615,1036.53007,982.166445,74.42225426,1.055350725,13.92768978,13.19721439,4.520924511,5.363411326,9.785900058,0.824566393,3.917833806,5.241545688,5.088624838,17.53556011,8.606211244,1.551847257,3.805414554,8.32472761,7.902017314,1.188247376,3.936878646,1.890643301,6.469173602,0.011454022,2.915699972,1.34169786,4.119201942,0.552225975,0.020431049,1.43E-22,1.92E-64,5.00E-128,2.51E-213,2.427E-320,0,0,0,0,0,0,0.345304163,5.392468715,0.484452002,4.88842538,0.287850341,1.072367007,0.530365197,0.338216397,3.442067661,0.050705334,1.94026723,1.056246096,0.478400633,0.005785488,0.119257211,0.946041433,0.178823637,0.003889383,1.44E-04,1.01E-24,1.36E-66,3.52E-130,1.77E-215,1.7E-322,0,0,0,0,0,0,1.067266495,5.111389101,1.036808437,5.486953404,1.108265585,0.952502274,1.077390169,1.22268389,3.471183909,0.195981062,1.820913716,0.753048303,1.098123824,0.004816071,0.337268403,0.999421462,0.687221504,0.040530289,0.001499523,1.05E-23,1.41E-65,3.67E-129,1.84E-214,1.78E-321,0,0,0,0,0,0,3.703230625,5.392104873,5.793808777,17.10839018,8.035335891,1.777727223,3.880424747,7.726374095,8.800446734,1.087858148,3.950938699,2.212945633,6.871431515,0.012295375,2.922352465,1.307789254,3.77328905,0.492023408,0.018203697,1.27E-22,1.71E-64,4.46E-128,2.24E-213,2.162E-320,0,0,0,0,0,0,1.565372702,5.004591042,1.246079693,6.322827361,1.868931794,0.893463995,1.415899921,2.012198327,3.53174931,0.321516895,1.911583352,0.659044466,1.453695176,0.004881971,0.51494428,1.044195426,1.124084688,0.088037177,0.003257165,2.28E-23,3.07E-65,7.98E-129,4.00E-214,3.873E-321,0,0,0,0,0,0,4.731374743,5.337037471,7.084567457,23.58080712,12.05769233,1.900147361,4.798533876,11.45075587,10.01230059,1.594857498,4.874403117,2.464702067,9.111549705,0.013857052,4.231318223,1.478244804,5.518824501,0.805369651,0.029796765,2.08E-22,2.81E-64,7.30E-128,3.66E-213,3.5395E-320,0,0,0,0,0,0,2.465227119,5.339543861,6.116588675,13.78515878,5.126156679,2.644691917,3.056326628,4.466494258,12.63369012,0.52689187,3.302664866,5.236865531,7.68030714,0.015134578,1.85421014,1.560906061,2.184424688,0.198801399,0.007355178,5.14E-23,6.93E-65,1.80E-128,9.03E-214,8.735E-321,0,0,0,0,0,0,9.236079731,0.732372582,0.432671491,0.887988635,0.070412832,0.531707058,0.555815316,0.521721165,10.4011238,11.07731669,24.4051393,0.831982953,1.60924354,7.82684809,0.500371291,0.077051133,0.931294165,0.059537742,0.381834254,0.261666877,0.016545502,8.404270514,4.557951773,13.26397996,0.896941247,0.660046633,8.355013068,0.525930896,0.220577479,0.917979826,0.057784943,0.435102553,0.286613544,0.135595174,9.101521444,6.353095745,16.42386982,0.876969738,0.857311272,9.160847171,0.738613603,0.410617078,0.888533268,0.071639964,0.523071337,0.566489359,0.469889685,10.31007785,10.831214,23.919661,0.832799903,1.55945038,8.634564542,0.558790423,0.293230964,0.910186721,0.058903216,0.46472558,0.322535648,0.239630201,9.486585929,7.520688313,18.42208783,0.865280082,1.026891429,9.340249421,0.764325481,0.456503139,0.88440303,0.072371919,0.543764951,0.605771598,0.58077703,10.56107804,11.75176079,25.57181046,0.826604545,1.730313578,9.173935407,0.744546615,0.413962653,0.887876557,0.072059095,0.52456603,0.577920841,0.477577895,10.33244468,10.93630369,24.0962882,0.831814836,1.580064766 +UMLMON0042,L,"Hexanoic acid, methyl ester",CCCCCC(=O)OC,7824,Co optima database valuese measured by NREL,Sandia,,C7H14O2,PubChem,,84,0,-0.4734,0.22410756,17.6206,13.70793,0,0,14,4,10,0,4,0,0,0,0,0,0,0,0,0,587.217124,553.863243,466.155986,281.592025,84.835296,9.144576,0,0,0,2004.905051,2417.916869,2702.016388,2068.222976,1061.424631,279.7536999,0,0,0,97.346704,93.797868,168.475592,186.21226,123.32736,60.466176,0,0,0,15.60172905,19.5021431,24.72432358,21.03814958,12.01662072,4.001516144,0,0,0,2356.353945,1911.608545,3876.645596,4616.702266,3137.747111,1664.258868,0,0,0,22.5,26.25,37,37,24,9,0,0,0,41.94408029,42.60486485,19.42316608,10.42933426,4.713072,1.016064,0,0,0,143.2075037,185.9936053,112.5840162,76.60085098,58.96803508,31.08374443,0,0,0,6.953336,7.215220615,7.019816333,6.89675037,6.85152,6.718464,0,0,0,1.114409218,1.500164854,1.030180149,0.779190725,0.66759004,0.444612905,0,0,0,168.310996,147.0468112,161.5268998,170.9889728,174.3192839,184.917652,0,0,0,1.607142857,2.019230769,1.541666667,1.37037037,1.333333333,1,0,0,0,0.020624385,-0.004400557,-0.008541261,-3.26E-04,-0.001770931,0.004726831,0,0,0,345.9028829,-61.76837194,-143.3026229,-27.17808365,-29.64881853,88.94645559,0,0,0,643.2211813,-114.8609252,-266.4773465,-50.5388071,-55.13324411,165.3997323,0,0,0,0.06776,-0.0121,-0.028072,-0.005324,-0.005808,0.017424,0,0,0,2.875497957,-0.513481778,-1.191277725,-0.225931982,-0.246471253,0.73941376,0,0,0,15.61975054,-2.789241168,-6.471039509,-1.227266114,-1.33883576,4.016507281,0,0,0,1.857142857,-0.724489796,-0.469387755,0.31122449,-0.459183673,0.413265306,0,0,0,0.00147317,-3.39E-04,-3.56E-04,-1.21E-05,-9.84E-05,5.25E-04,0,0,0,24.70734878,-4.751413226,-5.970942621,-1.006595691,-1.647156585,9.88293951,0,0,0,45.94437009,-8.835455786,-11.10322277,-1.87180767,-3.062958006,18.37774804,0,0,0,0.00484,-9.31E-04,-0.001169667,-1.97E-04,-3.23E-04,0.001936,0,0,0,0.205392711,-0.039498598,-0.049636572,-0.008367851,-0.013692847,0.082157084,0,0,0,1.115696467,-0.214557013,-0.269626646,-0.045454301,-0.074379764,0.446278587,0,0,0,0.132653061,-0.055729984,-0.019557823,0.011526833,-0.025510204,0.045918367,0,0,0,-0.229779543,-0.241578223,-0.008202871,-0.066784591,0.356512398,0,0,0,-0.192307692,-0.241666667,-0.040740741,-0.066666667,0.4,0,0,0,-0.192307692,-0.241666667,-0.040740741,-0.066666667,0.4,0,0,0,-0.192307692,-0.241666667,-0.040740741,-0.066666667,0.4,0,0,0,-0.192307692,-0.241666667,-0.040740741,-0.066666667,0.4,0,0,0,-0.192307692,-0.241666667,-0.040740741,-0.066666667,0.4,0,0,0,-0.420118343,-0.147435897,0.086894587,-0.192307692,0.346153846,0,0,0,1.785292158,1.282787775,0.825600072,0.817394078,0,0,0,0,1.75,1.327083333,0.842592593,0.758333333,0,0,0,0,1.75,1.327083333,0.842592593,0.758333333,0,0,0,0,1.75,1.327083333,0.842592593,0.758333333,0,0,0,0,1.75,1.327083333,0.842592593,0.758333333,0,0,0,0,1.75,1.327083333,0.842592593,0.758333333,0,0,0,0,2.019230769,1.020833333,0.712962963,1.166666667,0,0,0,0,10.32455532,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,1.78E-15,0,0,0,8.45234659,2.113086648,0.853777642,10.32455532,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,1.78E-15,0,0,0,8.45234659,2.113086648,0.853777642,10.32455532,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,1.78E-15,0,0,0,8.45234659,2.113086648,0.853777642,10.32455532,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,1.78E-15,0,0,0,8.45234659,2.113086648,0.853777642,10.32455532,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,1.78E-15,0,0,0,8.45234659,2.113086648,0.853777642,10.32455532,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,1.78E-15,0,0,0,8.45234659,2.113086648,0.853777642,12,5.958333333,9.979211373,11.95833333,2.989583333,5.962883372,-0.083333333,0,0,0,7.312569945,1.828142486,0.795837911,0,11.89,12.11003668,-0.170621073,0.049612125,4.799903802,5.768507446,3,13,13,13,3,0,0,0,0,0,10.93207,3.328621977,2.67958788,1.873188128,1.26132855,0.083923071,0.083923071,0.083923071,0.083923071,1.832621368,1.439488452,0.940448921,0.594475511,0.083923071,0.083923071,0.083923071,0.083923071,3.363954741,2.736305454,1.959737389,1.377906302,0.270913902,0.270913902,0.270913902,0.270913902,1.761700005,1.339544641,0.810683947,0.442319685,0.270913902,0.270913902,0.270913902,0.270913902,3.517202674,2.977133532,2.314688573,1.838399162,0.943918427,0.943918427,0.943918427,0.943918427,1.547338631,1.02331968,0.38035721,0.079265286,0.943918427,0.943918427,0.943918427,0.943918427,3.38987916,2.777675632,2.022190793,1.460949196,0.399277246,0.399277246,0.399277246,0.399277246,1.716028388,1.273979433,0.724041948,0.33953603,0.399277246,0.399277246,0.399277246,0.399277246,3.590436067,3.088638486,2.471939487,2.034236485,1.207644823,1.207644823,1.207644823,1.207644823,1.478725636,0.917569879,0.22885969,0.270483971,1.207644823,1.207644823,1.207644823,1.207644823,3.399981388,2.894077004,2.116980099,1.543159538,0.571428571,0.571428571,0.571428571,0.571428571,1.690549783,1.146727989,0.603829615,0.227376355,0.571428571,0.571428571,0.571428571,0.571428571,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,6.709139019,13.43918427,12.62745098,12.8,7.992772455,108.3985808,0.479224216,0.959941733,0.901960784,0.914285714,0.570912318,7.742755774,1.8064,20.582,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.8,0,0,0,0,0,0,0,0,0,0,0,4.361111111,0,2.638888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,1.319444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,1.319444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,1.75,0.2,2.180555556,0.2,1.319444444,3.155944444,0.180555556,0.180555556,0.722222222,0.180555556,0.180555556,0.722222222,2,0.5,0,0,0.41429,0.7,0.41429,0.41429,0.7,0,0,0,0,0.71429,0,0,0.5,0,0,1.5,0.375,1.5,0.375,0,0,-1.5,-0.375,0,0,2.95465,0.73866,2.95465,0,0,1.91421,0.47855,1.91421,0,0,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3,0,0,0,0,0,0,1,0.863120569,1.148834854,1.842370993,1.842370993,1.44132029,0.523882466,12.08368796,16.08368796,25.7931939,25.7931939,20.17848406,7.334354528,0.226698216,0.30174094,0.483897885,0.483897885,0.378562104,0.137597486,2.944234353,2.658520068,1.964983929,1.964983929,2.366034632,3.283472456,0.233248109,0.310459011,0.497878937,0.497878937,0.389499735,0.141573031,6.546092095,9.974663524,10.67362661,10.67362661,5.861018167,0.527981863,15.86062537,13.09255136,14.83406016,14.83406016,10.02145172,3.143294798,4,3,4,4,0,4,1.9,0.6722,0.333333333,2.828427125,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,1.77,2,1,0,0,0,0,0,0,0,10,1.386294361,1.098612289,0.693147181,0,0,0,0,0,0,0,2.397895273,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.333333333,3,1,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,0,77.7403972,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,58.07825032,4.148446451,6.871320344,1.717830086,0,0,0,10,1,2.616,10,1.207615385,2.075637186,2.804907462,3.488097614,4.721422713,0,0,0,0,0,61.06881987,45.76900548,34.93504552,19.3874857,4.797267648,0,0,0,0,0,247.0820973,251.229949,231.5205381,227.9199613,146.759497,0,0,0,0,0,8.743989366,14.61830322,19.38426135,24.00486353,31.72070853,0,0,0,0,0,1.933556328,2.251376117,2.288578021,2.506411321,2.099205468,0,0,0,0,0,175.6597976,331.7230453,476.7407941,599.5920089,873.0744024,0,0,0,0,0,2.507596154,3.300437663,3.962325931,4.916582061,4.721422713,0,0,0,0,0,0.403174038,0.481238651,0.498315796,0.553740656,0.483473686,0,0,0,0,0,308.3371088,74.64572099,7.378325385,160.8284036,-38.93515181,-9.699861179,147.5087052,113.5808728,17.07818656,0.65720327,0.159103172,0.015726487,0.34279673,-0.082988094,-0.020674711,144.6611376,35.02119793,3.46165581,75.45514036,-18.26703045,-4.55084034,0.108004056,0.269207615,2.601916055,17.88064912,469.1655123,0,1,0,186.2447074,13.64715016,5.710769702,283.1150683,16.82602354,6.566304143,242.6090631,15.57591291,6.236903247,1.772456863,1.576101964,142.2290853,132.9312702,22.69797826,1.069944529,6.266156558,5.856524697,2.856802787,3.220194404,5.261228039,0.633823111,2.789005534,2.845632051,1.521084503,6.008783601,3.567424353,0.143467533,1.184478626,6.656961858,1.281184098,0.006683872,3.96E-24,4.53E-67,9.99E-132,4.25E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234061908,2.845426268,0.096778603,2.068861152,0.027693835,0.001148244,0.155293471,0.321129024,0.009023484,4.71E-05,2.79E-26,3.19E-69,7.04E-134,2.99E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.755580372,2.845440412,0.332757861,2.452799366,0.268426899,0.010858517,0.365340117,1.193167919,0.094031664,4.91E-04,2.91E-25,3.32E-68,7.33E-133,3.12E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.632593716,2.845609597,1.414520093,5.618901831,3.180279212,0.127912951,1.121461333,6.120066074,1.141511966,0.00595521,3.53E-24,4.04E-67,8.90E-132,3.79E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.113586447,2.845458394,0.511007208,2.84115192,0.57673941,0.0232668,0.509540052,1.916870058,0.20424934,0.001065558,6.32E-25,7.22E-68,1.59E-132,6.77E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368128095,2.845726379,1.937637073,7.621158164,5.194376476,0.208827606,1.417816146,8.814047031,1.8684866,0.0097478,5.78E-24,6.61E-67,1.46E-131,6.20E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.639252232,2.555143688,0.721988759,3.407211246,1.170661215,0.04712165,0.813315532,3.338489944,0.418345828,0.002182489,1.29E-24,1.48E-67,3.26E-132,1.39E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.793218163,0.661344393,0.47486145,0.710846719,0.168305683,0.566036597,0.505702986,0.571406527,3.929424005,3.487717754,8.294343424,0.566270079,1.64314611,2.173345566,0.275378071,0.115292216,0.847633435,0.10740108,0.343038308,0.085987691,0.033683045,2.564015853,0.880810485,3.513827775,0.771450153,0.462709043,2.437234406,0.439917428,0.268447554,0.77480763,0.139851702,0.431146639,0.221442474,0.182612402,3.145599388,1.844546263,5.277970258,0.662211445,0.835201515,2.779542024,0.652847754,0.466935083,0.712826482,0.167425843,0.560513732,0.492611978,0.552489946,3.899324861,3.417320973,8.163954531,0.569239724,1.605615656,2.546976772,0.508239681,0.332102436,0.751915263,0.150041876,0.470765039,0.296577937,0.279483061,3.387318889,2.309119489,6.126336567,0.627872894,1.046826037,2.835550995,0.687639952,0.499394859,0.704907523,0.170944757,0.583304674,0.547328189,0.631974425,4.022585806,3.709301597,8.705626552,0.557361284,1.762607288,2.789128734,0.652496297,0.467303973,0.713527601,0.166924571,0.5643747,0.492425376,0.553363253,3.908929004,3.428181221,8.187554937,0.570291401,1.610163329 +UMLMON0043,L,Butane,CCCC,7843,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C4H10,PubChem,,89.1,0,0.4708,0.22165264,18.9575,12.374344,0,0,12,4,8,0,4,0,0,0,0,0,0,0,0,0,585.184996,529.649067,426.78653,251.281465,67.647888,6.096384,0,0,0,1942.737562,2188.443636,2264.555306,1652.247277,791.2692929,186.5024666,0,0,0,83.909776,79.562604,126.967304,131.666212,82.617408,40.310784,0,0,0,14.71250324,17.27505448,20.04985193,16.14338353,8.680011884,2.667677429,0,0,0,1986.518641,1605.36345,2862.524997,3200.951258,2060.036303,1109.505912,0,0,0,27.25,29,34.5,33,20,6,0,0,0,48.76541633,48.14991518,23.71036278,13.22534026,5.637324,1.016064,0,0,0,161.8947969,198.9494215,125.8086281,86.960383,65.93910774,31.08374443,0,0,0,6.992481333,7.232964,7.053739111,6.929800632,6.884784,6.718464,0,0,0,1.226041937,1.570459498,1.113880663,0.849651765,0.723334324,0.444612905,0,0,0,165.54322,145.9421318,159.0291665,168.4711188,171.6696919,184.917652,0,0,0,2.270833333,2.636363636,1.916666667,1.736842105,1.666666667,1,0,0,0,0.036479594,-0.007533523,-0.014732324,-8.85E-05,-0.00330953,0.00742406,0,0,0,322.8426907,-53.80711511,-121.066009,-26.90355756,-40.35533633,80.71067267,0,0,0,600.3397692,-100.0566282,-225.1274134,-50.0283141,-75.04247115,150.0849423,0,0,0,0.063242667,-0.010540444,-0.023716,-0.005270222,-0.007905333,0.015810667,0,0,0,2.683798093,-0.447299682,-1.006424285,-0.223649841,-0.335474762,0.670949523,0,0,0,14.57843384,-2.429738973,-5.466912688,-1.214869486,-1.822304229,3.644608459,0,0,0,4.5625,-1.078125,-0.90625,0.171875,-1.3125,0.84375,0,0,0,0.003039966,-6.85E-04,-8.18E-04,-4.66E-06,-2.76E-04,0.001237343,0,0,0,26.90355756,-4.891555919,-6.725889389,-1.415976713,-3.362944694,13.45177878,0,0,0,50.0283141,-9.096057109,-12.50707852,-2.633069163,-6.253539262,25.01415705,0,0,0,0.005270222,-9.58E-04,-0.001317556,-2.77E-04,-6.59E-04,0.002635111,0,0,0,0.223649841,-0.040663607,-0.05591246,-0.011771044,-0.02795623,0.111824921,0,0,0,1.214869486,-0.220885361,-0.303717372,-0.063940499,-0.151858686,0.607434743,0,0,0,0.380208333,-0.098011364,-0.050347222,0.009046053,-0.109375,0.140625,0,0,0,-0.225287297,-0.26923406,-0.001531875,-0.090722773,0.407025373,0,0,0,-0.181818182,-0.25,-0.052631579,-0.125,0.5,0,0,0,-0.181818182,-0.25,-0.052631579,-0.125,0.5,0,0,0,-0.181818182,-0.25,-0.052631579,-0.125,0.5,0,0,0,-0.181818182,-0.25,-0.052631579,-0.125,0.5,0,0,0,-0.181818182,-0.25,-0.052631579,-0.125,0.5,0,0,0,-0.257783313,-0.132420091,0.023792358,-0.287671233,0.369863014,0,0,0,1.440263913,1.164860904,0.863568068,0.997734685,0.134831863,0,0,0,1.5,1.260416667,0.868421053,0.859375,0,0,0,0,1.5,1.260416667,0.868421053,0.859375,0,0,0,0,1.5,1.260416667,0.868421053,0.859375,0,0,0,0,1.5,1.260416667,0.868421053,0.859375,0,0,0,0,1.5,1.260416667,0.868421053,0.859375,0,0,0,0,1.534246575,0.887366819,0.856524874,1.406392694,0,0,0,0,8.746918077,4.373459039,7.441801052,8.746918077,2.186729519,4.399784092,-1.78E-15,0.117440778,0.029360194,-0.856728436,8.309434066,2.077358516,0.846956601,8.746918077,4.373459039,7.441801052,8.746918077,2.186729519,4.399784092,-1.78E-15,0.117440778,0.029360194,-0.856728436,8.309434066,2.077358516,0.846956601,8.746918077,4.373459039,7.441801052,8.746918077,2.186729519,4.399784092,-1.78E-15,0.117440778,0.029360194,-0.856728436,8.309434066,2.077358516,0.846956601,8.746918077,4.373459039,7.441801052,8.746918077,2.186729519,4.399784092,-1.78E-15,0.117440778,0.029360194,-0.856728436,8.309434066,2.077358516,0.846956601,8.746918077,4.373459039,7.441801052,8.746918077,2.186729519,4.399784092,-1.78E-15,0.117440778,0.029360194,-0.856728436,8.309434066,2.077358516,0.846956601,8.746918077,4.373459039,7.441801052,8.746918077,2.186729519,4.399784092,-1.78E-15,0.117440778,0.029360194,-0.856728436,8.309434066,2.077358516,0.846956601,12.2183814,5.9841907,10.39836053,12.0933814,3.02334535,5.989176542,-0.25,0.153140714,0.038285178,-0.750559233,8.38915803,2.097289507,0.850776065,0,11.79,12.21001914,-0.307078384,0.113097695,4.799472424,5.92451672,3,11,10,10,2,1,1,0,0,1,8.745656,3.369993099,2.670741202,1.685066329,0.922709785,0.083923071,0.083923071,0.083923071,0.083923071,1.796517734,1.359481757,0.805165896,0.351652747,0.083923071,0.083923071,0.083923071,0.083923071,3.397889288,2.720641436,1.775874165,1.04905415,0.270913902,0.270913902,0.270913902,0.270913902,1.732790953,1.266702246,0.669556827,0.190753407,0.270913902,0.270913902,0.270913902,0.270913902,3.522314024,2.935436809,2.149135827,1.546352704,0.943918427,0.943918427,0.943918427,0.943918427,1.547459632,0.977149278,0.21818736,0.365230612,0.943918427,0.943918427,0.943918427,0.943918427,3.418541064,2.757206163,1.841487294,1.139005698,0.399277246,0.399277246,0.399277246,0.399277246,1.692369289,1.206142947,0.578873033,0.081745968,0.399277246,0.399277246,0.399277246,0.399277246,3.583813084,3.036408653,2.314430349,1.756363431,1.207644823,1.207644823,1.207644823,1.207644823,1.490535974,0.881882264,0.05885292,0.570834933,1.207644823,1.207644823,1.207644823,1.207644823,3.450188597,2.811195233,1.845598679,1.187154694,0.470588235,0.470588235,0.470588235,0.470588235,1.728377245,1.110956832,0.551965181,0.020485004,0.470588235,0.470588235,0.470588235,0.470588235,0,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,2.991563832,1.523603362,0.696923425,0.288675135,0,0,0,0,0.747890958,0.507867787,0.348461713,0.288675135,0,0,0,0,6.167311215,11.55134741,10.90196078,11.04,7.194217964,92.11302036,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.50859,20.218,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,2,1,0,2,0,0,0,0,0,0,0,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.354166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0.359722222,0,0,0.533680556,0.290277778,0,0.766319444,0,0,0,0,0,0,0,0,2.0625,3.479166667,1.083333333,0,1.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0.359722222,0,0,0.243402778,0.290277778,0,0.359722222,0,0,0,0,0,0,0,0,2.0625,3.479166667,1.083333333,0,1.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.479166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0.359722222,0,0,0.290277778,0.290277778,0,0.406597222,0,0,0,0,0,0,0,0,2.0625,3.479166667,1.083333333,0,1.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.5,2.125,0.406597222,3.479166667,0.243402778,1.083333333,3.044541667,0.416666667,0.479166667,1.083333333,0.416666667,0.479166667,1.083333333,2,0.5,0,0,0.43333,0.7,0.41429,0.41429,0.7,0.01905,0.01905,0,0,0.71429,0,0,0.5,0,0,2.5,0.625,1.5,0.375,1,0.25,-0.5,-0.125,0,0,1.99591,0.49898,2.95465,0.95875,0.23969,1.34933,0.33733,1.91421,0.56488,0.14122,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3,0,0,0,0,0,0,0.5,0.918295834,2.221251836,2.855388542,2.855388542,2.257894792,0.930827083,11.01955001,26.65502203,34.26466251,34.26466251,27.09473751,11.169925,0.256152145,0.61960253,0.796490491,0.796490491,0.629823824,0.259647649,2.666666667,1.363710665,0.729573959,0.729573959,1.327067709,2.654135417,0.256152145,0.61960253,0.796490491,0.796490491,0.629823824,0.259647649,6.73287657,15.37414489,16.01324374,16.01324374,8.843318735,0.938110835,15.79950001,11.30124668,10.69198021,10.69198021,7.10701771,2.361654167,4,3,4,4,2,4,1.9,0.6292,0.333333333,2.828427125,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,1.663,2,1,0,0,0,0,0,0,0,10,1.609437912,1.386294361,1.098612289,0,0,0,0,0,0,0,2.63905733,1.3,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.333333333,2,0.666666667,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,0,75.1039385,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,56.06260026,4.671883355,6.871320344,1.717830086,0,0,0,10,1,2.25,10,1.202272727,2.100468149,2.863150544,3.592438326,4.791144416,0,0,0,0,0,66.90222105,56.01398019,44.55773169,23.29835151,4.86810936,0,0,0,0,0,260.2497686,282.9111972,267.9399469,259.860931,148.9267086,0,0,0,0,0,8.724835344,14.86211881,19.88341516,24.84281006,32.18913128,0,0,0,0,0,2.002377113,2.456310925,2.547931469,2.78228388,2.130204636,0,0,0,0,0,173.6667057,330.6758999,479.3215504,607.978928,885.967176,0,0,0,0,0,3.264272727,4.181218414,5.193645257,6.407557504,4.791144416,0,0,0,0,0,0.416284773,0.522181042,0.551095897,0.611629732,0.490613188,0,0,0,0,0,286.7902338,84.2287473,10.15177386,181.3014757,-53.2472671,-11.27774078,105.4887581,137.4760144,21.42951464,0.612679584,0.179940695,0.021687575,0.387320416,-0.11375392,-0.024093015,134.2441308,39.4267783,4.751961179,84.86571766,-24.92460428,-5.279016959,0.192789345,0.349475334,5.454800957,9.4738351,468.0917094,0,1,0,206.8946702,14.38383364,5.914478185,285.0278957,16.8827692,6.581059069,264.4605705,16.26224371,6.418797037,1.70502139,1.466135249,132.8825362,121.4095229,18.17309486,1.094498463,7.312047684,6.680729058,2.728819893,3.19886722,5.260090829,0.644360477,2.476191103,2.01784483,3.07105848,3.085834795,3.779833838,1.246225129,0.150918398,1.883615725,0.003219878,0.006329754,3.35E-24,3.42E-67,6.73E-132,2.55E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.207820268,2.01774154,0.145896662,1.886173363,0.030954687,0.08649394,0.008367528,0.104604634,2.27E-05,4.46E-05,2.36E-26,2.41E-69,4.74E-134,1.80E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.670843116,2.017748685,0.544664133,2.063255672,0.288550755,0.284130924,0.028514869,0.372912171,2.36E-04,4.65E-04,2.46E-25,2.51E-68,4.94E-133,1.87E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.337323066,2.017833576,2.821822975,2.988409052,3.370747432,1.161398867,0.139025206,1.741159448,0.002868854,0.005639697,2.98E-24,3.04E-67,5.99E-132,2.27E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.988693785,2.017757728,0.877290938,2.204946617,0.616108262,0.431408814,0.045002925,0.585252851,5.13E-04,0.001009104,5.34E-25,5.45E-68,1.07E-132,4.07E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.990356939,2.017892099,4.073525869,3.47378974,5.498399346,1.575999648,0.198548668,2.449156726,0.004695885,0.009231352,4.88E-24,4.98E-67,9.81E-132,3.72E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.194662128,1.38714446,1.086607559,2.161061874,0.853513486,0.387819331,0.053235588,0.822789897,7.13E-04,0.001401745,7.42E-25,7.57E-68,1.49E-132,5.65E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.824008981,0.751661312,0.277002512,0.732999952,0.195101258,0.543077654,0.495458849,0.333320474,3.852672805,3.11316795,7.553833517,0.599499928,1.371856978,2.130246309,0.264452219,0.059717373,0.867923936,0.10774548,0.30881677,0.060504048,0.015491589,2.454415902,0.706353471,3.194411057,0.801885903,0.384812406,2.405526919,0.458215262,0.146015978,0.799242594,0.152243216,0.393820244,0.182797804,0.092617987,3.009758158,1.520401261,4.691105406,0.698863892,0.669236035,2.806808727,0.739624032,0.271623145,0.735140814,0.193717444,0.536464913,0.479598245,0.320500064,3.818055904,3.039276408,7.421217394,0.602711222,1.336563221,2.528345835,0.544468407,0.184482818,0.77620978,0.167153439,0.435113995,0.258710629,0.147844925,3.257297059,1.943485859,5.454742782,0.66431467,0.841669548,2.877865609,0.789339595,0.293843877,0.726541265,0.199275389,0.564048848,0.546786187,0.375083418,3.961049081,3.34919907,7.977747802,0.589811897,1.485918454,2.819854281,0.736226325,0.270610147,0.73689108,0.192392428,0.541468209,0.475235346,0.31811396,3.826690754,3.038362451,7.426853659,0.60533662,1.334817515 +UMLMON0044,L,1-Butene,CCC=C,7844,[9] has RON of 98.8,"Sandia, UML",[1],C4H8,PubChem,,79.9,0,3.1663,10.02545569,38.157,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1674.79369,1290.353741,1097.063862,399.533904,45.72288,0,0,3885.475125,4800.404174,6735.600534,7510.205478,6043.52245,3786.30834,1398.768499,0,0,167.819552,166.665724,297.581032,372.231284,554.716248,234.881856,302.33088,0,0,29.42500648,37.33900896,54.15737825,66.28108257,59.44440754,36.74696223,20.00758072,0,0,3973.037281,3337.521256,6612.996548,7830.731523,14184.45858,5053.044075,8321.294341,0,0,47.59027778,53.20833333,76,108.25,112.25,75,45,0,0,48.76541633,52.3287937,39.87604024,24.81449502,13.5439983,12.107088,1.016064,0,0,161.8947969,208.713225,160.3714413,144.4270284,74.61138827,114.7366164,31.08374443,0,0,6.992481333,7.246335826,7.085262667,7.158293923,6.848348741,7.117632,6.718464,0,0,1.226041937,1.623435172,1.289461387,1.274636203,0.733881575,1.11354431,0.444612905,0,0,165.54322,145.1096198,157.4522988,150.5909908,175.1167726,153.1225477,184.917652,0,0,1.982928241,2.313405797,1.80952381,2.081730769,1.385802469,2.272727273,1,0,0,0.045694943,-0.00805536,0.008393324,-0.050392712,0.051517313,-0.064313591,0.040003554,0,0,645.6853813,-53.80711511,242.132018,-995.4316296,766.7513903,-887.8173993,605.330045,0,0,1200.679538,-100.0566282,450.2548269,-1851.047622,1425.806952,-1650.934365,1125.637067,0,0,0.126485333,-0.010540444,0.047432,-0.194998222,0.150201333,-0.173917333,0.11858,0,0,5.367596186,-0.447299682,2.01284857,-8.27504412,6.374020471,-7.380444756,5.032121424,0,0,29.15686767,-2.429738973,10.93382538,-44.95017099,34.62378036,-40.09069305,27.33456344,0,0,6.464988426,-2.938958816,4.194372106,-8.817081404,9.859483507,-9.827727141,4.297417535,0,0,0.001903956,-3.50E-04,2.00E-04,-9.69E-04,6.36E-04,-0.001948897,8.89E-04,0,0,26.90355756,-2.339439787,5.765048048,-19.14291595,9.466066547,-26.90355756,13.45177878,0,0,50.0283141,-4.350288182,10.72035302,-35.59706965,17.60255496,-50.0283141,25.01415705,0,0,0.005270222,-4.58E-04,0.001129333,-0.003749966,0.001854337,-0.005270222,0.002635111,0,0,0.223649841,-0.019447812,0.047924966,-0.159135464,0.078691611,-0.223649841,0.111824921,0,0,1.214869486,-0.105640825,0.260329176,-0.864426365,0.427454079,-1.214869486,0.607434743,0,0,0.269374518,-0.127780818,0.099866003,-0.169559258,0.121722019,-0.297809913,0.095498167,0,0,-0.183950175,0.104960961,-0.508987935,0.334049855,-1.023603878,0.466905689,0,0,-0.086956522,0.214285714,-0.711538462,0.351851852,-1,0.5,0,0,-0.086956522,0.214285714,-0.711538462,0.351851852,-1,0.5,0,0,-0.086956522,0.214285714,-0.711538462,0.351851852,-1,0.5,0,0,-0.086956522,0.214285714,-0.711538462,0.351851852,-1,0.5,0,0,-0.086956522,0.214285714,-0.711538462,0.351851852,-1,0.5,0,0,-0.474361195,0.370732924,-0.629455448,0.451869091,-1.105560822,0.354518194,0,0,1.509126189,0.874871905,1.640375021,0.417348028,2.46294679,0.092523161,0,0,1.5,0.924107143,1.948918269,0.372685185,2.15625,0,0,0,1.5,0.924107143,1.948918269,0.372685185,2.15625,0,0,0,1.5,0.924107143,1.948918269,0.372685185,2.15625,0,0,0,1.5,0.924107143,1.948918269,0.372685185,2.15625,0,0,0,1.5,0.924107143,1.948918269,0.372685185,2.15625,0,0,0,1.869041758,0.348233068,1.897114567,0.160587209,3.23420392,0,0,0,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,49.38217786,24.4515056,38.12820114,49.02280286,6.127850358,24.4515056,-0.479166667,0.047167883,0.005895985,-2.443233646,24.13005029,3.016256286,2.546766371,0,11.89,12.11011416,-0.157663215,0.06393858,5.956422937,8.994597207,7,23,22,22,6,1,1,0,0,1,17.491312,3.610670307,3.211917666,2.333552793,2.333552793,2.256677967,2.079746185,0.52987105,0.387029567,1.939401255,1.662868225,1.249629723,1.249629723,1.154114088,0.983836891,0.083923071,0.083923071,3.631157042,3.240456119,2.405454588,2.405454588,2.32661669,2.147221647,0.620760598,0.507406576,1.887974042,1.594388963,1.134540686,1.134540686,1.041028853,0.866571206,0.270913902,0.270913902,3.724077235,3.370020408,2.704236987,2.704236987,2.618578049,2.435540579,0.970133649,0.96148215,1.743193029,1.396566423,0.76031856,0.76031856,0.673552967,0.490845944,0.943918427,0.943918427,3.64639981,3.26171786,2.457539916,2.457539916,2.377370979,2.19660799,0.685161021,0.591961865,1.855794442,1.551021429,1.058262671,1.058262671,0.966078727,0.789215945,0.399277246,0.399277246,3.771044676,3.435106011,2.838982085,2.838982085,2.750724254,2.568931756,1.207644823,1.207644823,1.700088386,1.336624416,0.631337262,0.631337262,0.547183156,0.364153036,1.110382943,1.142438647,3.629789626,3.318148699,2.534091447,2.529754755,2.529754755,2.230317096,0.651809066,0.569766724,1.921925189,1.484793163,0.972997998,0.972997998,0.893857215,0.633347091,0.518918919,0.518918919,0,0,1,0,1,4,1,0,1,0,0,0,0,0,0,0,0,0,0,1.968908462,0.353553391,0,0,1.810660172,0.353553391,0,0,0.816496581,2.041241452,1.020620726,0.655330086,1.457106781,0.676776695,6.78445705,3.416502219,4.158631167,1.020620726,1.224744871,0,0,0,0.848057131,0.488071746,0.415863117,0.204124145,0.204124145,0,0,0,6.414213562,3.060660172,3.694543648,0.832106781,0.905330086,0,0,0,0.801776695,0.437237167,0.369454365,0.166421356,0.150888348,0,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,4,1,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.115949074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348819444,0,0,0,0.967152778,0.580555556,0,0.348819444,0,0,0,0,0,0,0,0,8.746319444,3.840486111,1.131944444,0,0,0,0,0,0,1.275462963,0,0,0.422453704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.275462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348819444,0,0,0,0.225625,0.290277778,0,0.348819444,0,0,0,0,0,0,0,0,2.074652778,3.840486111,1.131944444,0,0,0,0,0,0,1.275462963,0,0,0.422453704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.840486111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348819444,0,0,0,0.290277778,0.290277778,0,0.348819444,0,0,0,0,0,0,0,0,2.223888889,3.840486111,1.131944444,0,0,0,0,0,0,1.275462963,0,0,0.422453704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.41666667,1.927083333,0.348819444,3.840486111,0.043402778,0.422453704,5.468942685,0.827546296,0.840486111,3.173611111,0.827546296,0.840486111,3.173611111,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.625,0.125,0.125,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,8.28712,1.03589,9.73928,1.45216,0.18152,2.87519,0.3594,3.41649,0.5413,0.06766,0.49751,0.06219,0.49751,0.06219,0,7,0,0,0,0,0,0,0.75,0.918295834,2.082551817,2.833333333,2.833333333,2.642293229,1.961466146,22.03910002,49.98124361,68,68,63.4150375,47.0751875,0.200284263,0.45421349,0.617962161,0.617962161,0.576295494,0.427804185,3.666666667,2.502410684,1.751629167,1.751629167,1.942669272,2.623496355,0.200284263,0.45421349,0.617962161,0.617962161,0.576295494,0.427804185,6.73287657,16.72064472,17.47730113,17.47730113,15.18481988,10.2987728,31.59900002,19.42915877,19.57694219,19.57694219,18.43070156,15.54072656,8,2.52,7.2,8,2,5,2.34,1.1928,3.298769777,2.5,2.58640929,3.221970075,0,1,1,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.155,0.135,0.064,0.154,3.224,10,5,6,0,0,0,0,0,0,36,2.197224577,2.564949357,1.945910149,2.302585093,0,0,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,2,4,1,4,0.666666667,0.75,0,0,0,0,0,0,0,0.571428571,0.066666667,0.15,0,0,0,0,0,0,0,0.788095238,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,0,144.287877,4,3.555348061,4.17438727,5.056245805,5.686975356,6.577861358,7.211556733,8.105005538,8.739536423,9.633841843,73.74075839,2.708050201,0,4.007333185,0,5.416100402,0,6.882437471,0,8.379079889,8.635687085,112.1252005,4.671883355,14.27908074,1.784885093,0,0,0,66,5,3.995,34,1.226391304,2.122827541,3.001081423,3.466999628,4.267526705,4.641581648,0,0,0,0,74.73814722,97.23810673,77.48127974,51.73940796,51.66732135,4.716144016,0,0,0,0,280.6431588,375.4189098,440.4722741,273.5326822,489.6415744,144.2777377,0,0,0,0,8.920641989,15.11613074,21.49225756,23.78171194,30.37468463,31.18429921,0,0,0,0,2.124868553,2.947816891,3.86345699,2.63867727,4.75208008,2.0637071,0,0,0,0,175.8569114,328.8841386,451.3359847,604.2908036,653.4545614,858.3103801,0,0,0,0,2.884896739,4.074284291,6.268878606,4.892084028,9.501570859,4.641581648,0,0,0,0,0.4404825,0.616488906,0.820669503,0.574353434,1.024206409,0.475297961,0,0,0,0,378.5082459,175.4856545,11.28326625,174.4771183,-80.89184748,-11.66436902,204.0311276,256.377502,22.94763527,0.68448149,0.317342313,0.020404276,0.31551851,-0.146282077,-0.02109345,209.3095202,97.04099855,6.239481095,96.4832928,-44.73200774,-6.45022535,0.115248115,0.215030286,1.708181319,8.094607765,552.9853642,0,1,0,457.3961477,21.38682182,7.704849633,612.8133496,24.75506715,8.493944243,831.5107869,28.83592875,9.403494954,1.568682102,1.568682102,395.9470608,360.8314307,150.0026356,1.097318657,2.639600692,2.405500604,3.945557205,3.480903102,6.533428096,0.876934779,4.625737202,5.969182007,4.833867253,20.01946838,1.938096873,11.40167649,6.391314562,6.214192258,6.435939819,0.716710377,3.023401943,1.788546757,7.03E-10,5.33E-41,7.79E-94,2.20E-168,1.19E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,0.388216777,5.863019005,0.300572887,10.16693754,0.81919738,0.447997192,0.312378409,0.367137864,1.037611936,0.012675959,0.057447806,0.012596881,4.95E-12,3.75E-43,5.49E-96,1.55E-170,8.41E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.253185036,5.870113599,1.039539364,11.94517149,0.946779649,1.781373764,0.887242419,1.235825554,1.634041975,0.072200573,0.314786545,0.131269213,5.16E-11,3.91E-42,5.72E-95,1.61E-169,8.77E-266,0,0,0,0,0,0,0,0,0,0,0,0,0,4.366319238,5.957526442,4.490408725,19.33391911,1.833935773,10.41182446,5.783566037,5.74132895,5.926634641,0.643828447,2.718690692,1.593562961,6.26E-10,4.75E-41,6.94E-94,1.96E-168,1.06E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,1.84695863,5.879311595,1.602155443,13.23501954,1.064293147,2.964666772,1.479610736,1.928598429,2.193561093,0.138058273,0.594792412,0.285134271,1.12E-10,8.49E-42,1.24E-94,3.50E-169,1.90E-265,0,0,0,0,0,0,0,0,0,0,0,0,0,5.586245157,6.018191959,6.180402123,22.65129007,2.364251059,15.4291665,8.90904037,8.095464862,8.52470821,1.020373953,4.291424123,2.608427355,1.03E-09,7.77E-41,1.14E-93,3.20E-168,1.74E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,2.610296131,4.087026154,1.905552413,14.90293494,1.149313142,4.098193008,2.063288755,2.549292647,2.928322062,0.219711424,0.940762809,0.481614227,1.89E-10,1.43E-41,2.10E-94,5.92E-169,3.22E-265,0,0,0,0,0,0,0,0,0,0,0,0,0,3.498140359,1.4237705,0.969412012,0.593778415,0.241672462,0.486935862,0.535861851,0.404148783,5.89132287,9.751908555,20.4714355,0.390667623,1.426946496,2.711650873,0.825400572,0.512235797,0.669661279,0.203838484,0.292814365,0.182216045,0.112840326,4.049287242,4.050002546,9.245775016,0.504491919,0.587870735,3.023774367,1.063298286,0.69381135,0.632471812,0.222406209,0.363940278,0.301069596,0.207017606,4.780884003,6.050831496,13.06243978,0.448707718,0.87202748,3.478645727,1.408979914,0.958093617,0.595075742,0.241027639,0.481526317,0.524950372,0.394766577,5.845719258,9.584144886,20.12580859,0.392613614,1.401243266,3.163008678,1.169231066,0.774747048,0.619349297,0.228947345,0.398175733,0.363289589,0.258133483,5.106986792,7.054677961,15.02690247,0.429023945,1.019598805,3.559179767,1.470068952,1.004846885,0.589844775,0.243627057,0.504070663,0.570717314,0.434234438,6.034095604,10.28586458,21.57755992,0.384767163,1.509022415,3.482104661,1.412405141,0.9578763,0.594988882,0.241338339,0.482501108,0.528309592,0.394587513,5.852386102,9.606477463,20.16983573,0.392483322,1.405398213 +UMLMON0045,L,"2,4,4-Trimethyl-1-Pentene",CC(=C)CC(C)(C)C,7868,"Sandia MON averaged between two sources one being [9], I think because one of those averaged values matched UML mon value we should ue that sensitivity","Sandia, UML","[1], [9]",C8H16,PubChem,,86.5,0,3.1124,9.68703376,39.2295,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1663.702666,1254.032477,1099.01031,435.855168,54.867456,0,0,3885.475125,4800.404174,6651.947662,7165.995629,5847.421622,4130.518189,1678.522199,0,0,167.819552,166.665724,297.181864,350.878388,494.64924,256.234752,362.797056,0,0,29.42500648,37.33900896,53.48844684,62.94044964,56.1118228,40.08759516,24.00909686,0,0,3973.037281,3337.521256,6644.791652,7371.36388,12488.40461,5512.411718,9985.553209,0,0,44.34027778,52,77.25,103,97.5,72,54,0,0,48.76541633,52.3287937,39.61196824,25.59249953,15.26403208,12.107088,1.016064,0,0,161.8947969,208.713225,158.3797062,146.2448088,81.21418919,114.7366164,31.08374443,0,0,6.992481333,7.246335826,7.075758667,7.160783429,6.870128333,7.117632,6.718464,0,0,1.226041937,1.623435172,1.273534449,1.284498972,0.779330872,1.11354431,0.444612905,0,0,165.54322,145.1096198,158.2093251,150.4359975,173.450064,153.1225477,184.917652,0,0,1.847511574,2.260869565,1.839285714,2.102040816,1.354166667,2,1,0,0,0.039438195,-0.005821201,0.020418294,-0.061448704,0.038695793,-0.046791997,0.035228717,0,0,645.6853813,-53.80711511,282.4873543,-914.7209569,605.330045,-968.528072,726.396054,0,0,1200.679538,-100.0566282,525.297298,-1700.962679,1125.637067,-1801.019308,1350.764481,0,0,0.126485333,-0.010540444,0.055337333,-0.179187556,0.11858,-0.189728,0.142296,0,0,5.367596186,-0.447299682,2.348323331,-7.604094597,5.032121424,-8.051394279,6.038545709,0,0,29.15686767,-2.429738973,12.75612961,-41.30556253,27.33456344,-43.73530151,32.80147613,0,0,4.513599537,-2.582766686,5.137948495,-8.272268036,6.360243056,-7.384982639,4.485026042,0,0,0.001643258,-2.53E-04,4.86E-04,-0.001254055,5.37E-04,-0.001299778,6.52E-04,0,0,26.90355756,-2.339439787,6.725889389,-18.66777463,8.407361736,-26.90355756,13.45177878,0,0,50.0283141,-4.350288182,12.50707852,-34.71352407,15.63384816,-50.0283141,25.01415705,0,0,0.005270222,-4.58E-04,0.001317556,-0.003656889,0.001646944,-0.005270222,0.002635111,0,0,0.223649841,-0.019447812,0.05591246,-0.155185604,0.069890575,-0.223649841,0.111824921,0,0,1.214869486,-0.105640825,0.303717372,-0.842970664,0.379646714,-1.214869486,0.607434743,0,0,0.188066647,-0.112294204,0.122332107,-0.168821797,0.088336709,-0.205138407,0.083056038,0,0,-0.154020659,0.295845097,-0.763151672,0.327058518,-0.790975967,0.397006195,0,0,-0.086956522,0.25,-0.693877551,0.3125,-1,0.5,0,0,-0.086956522,0.25,-0.693877551,0.3125,-1,0.5,0,0,-0.086956522,0.25,-0.693877551,0.3125,-1,0.5,0,0,-0.086956522,0.25,-0.693877551,0.3125,-1,0.5,0,0,-0.086956522,0.25,-0.693877551,0.3125,-1,0.5,0,0,-0.597097919,0.6504721,-0.897670049,0.469709597,-1.09077505,0.441630874,0,0,1.49548127,0.81484193,2.233681592,0.507327567,1.699828658,0.003865837,0,0,1.5,0.872767857,1.93622449,0.44921875,2.15625,0,0,0,1.5,0.872767857,1.93622449,0.44921875,2.15625,0,0,0,1.5,0.872767857,1.93622449,0.44921875,2.15625,0,0,0,1.5,0.872767857,1.93622449,0.44921875,2.15625,0,0,0,1.5,0.872767857,1.93622449,0.44921875,2.15625,0,0,0,2.0585935,0.237176376,2.3636994,0.154817617,2.547855632,0,0,0,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,38.51339261,19.15461297,27.88185843,38.36026761,4.795033452,19.15461299,-0.204166667,0.100468985,0.012558623,-1.838324964,23.30135062,2.912668828,2.51880906,0,11.89,12.11011416,-0.149585895,0.073619716,6.0926875,9.078895313,7,23,22,22,6,1,1,0,0,1,17.491312,3.636381628,3.154776519,2.333552793,2.333552793,2.333552793,2.041566206,0.586636054,0.293902613,1.935388355,1.657005365,1.249629723,1.249629723,1.249629723,0.86910009,0.083923071,0.083923071,3.654187565,3.187392962,2.405454588,2.405454588,2.405454588,2.104520267,0.666603054,0.432521154,1.886862917,1.582665948,1.134540686,1.134540686,1.134540686,0.76295443,0.270913902,0.270913902,3.736376012,3.334211987,2.704236987,2.704236987,2.704236987,2.370836971,0.973746946,0.955639676,1.753573626,1.364004428,0.76031856,0.76031856,0.76031856,0.421478257,0.943918427,0.943918427,3.667509136,3.21163431,2.457539916,2.457539916,2.457539916,2.150438439,0.723235299,0.529946743,1.856795931,1.535235373,1.058262671,1.058262671,1.058262671,0.692900887,0.399277246,0.399277246,3.778804038,3.407069517,2.838982085,2.838982085,2.838982085,2.492774593,1.207644823,1.207644823,1.714933345,1.296585846,0.631337262,0.631337262,0.631337262,0.305274178,1.097028706,1.164050983,3.640767746,3.227818486,2.557155175,2.557155175,2.557155175,2.238146707,0.67242173,0.576478853,1.874452504,1.490716036,0.948216627,0.948216627,0.948216627,0.599403529,0.536312849,0.536312849,0,0,0,1,1,5,0,0,1,0,0,0,0,0,0,0,0,0,0,1.968908462,0.353553391,0,0,1.654700538,0.288675135,0,0,0.816496581,2.041241452,1.020620726,0.577350269,1.443375673,0.721687836,6.78445705,3.416502219,4.158631167,1.020620726,1.224744871,0,0,0,0.848057131,0.488071746,0.415863117,0.204124145,0.204124145,0,0,0,6.577350269,3.077350269,3.58771324,0.721687836,0.866025404,0,0,0,0.822168784,0.439621467,0.358771324,0.144337567,0.144337567,0,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,2,0,1,0,0,0,0,0,0,0,0,5,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.671296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.248611111,0,0,0.730208333,0.580555556,0,0.248611111,0,0,0,0,0,0,0,0,10.88541667,0,0,0,2.270833333,0,0,0,0,1.400462963,0,0,0.359953704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.400462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.248611111,0,0,0.243402778,0.290277778,0,0.248611111,0,0,0,0,0,0,0,0,2.130208333,0,0,0,2.270833333,0,0,0,0,1.400462963,0,0,0.359953704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.270833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.248611111,0,0,0.243402778,0.290277778,0,0.248611111,0,0,0,0,0,0,0,0,2.208333333,0,0,0,2.270833333,0,0,0,0,1.400462963,0,0,0.359953704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.91666667,1.864583333,0.290277778,2.270833333,0.050347222,0.359953704,5.229056713,0.890046296,0.270833333,2.3125,0.890046296,0.270833333,2.3125,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.625,0.125,0.125,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,8.51038,1.0638,9.73928,1.22889,0.15361,2.86803,0.3585,3.41649,0.54846,0.06856,0.49751,0.06219,0.49751,0.06219,0,7,0,0,0,0,0,0,0.75,0.918295834,1.861702233,2.468546354,2.468546354,2.27750625,1.704385937,22.03910002,44.68085358,59.2451125,59.2451125,54.66015,40.90526249,0.200284263,0.406045247,0.538400555,0.538400555,0.496733888,0.371733888,3.666666667,2.723260268,2.116416147,2.116416147,2.307456251,2.880576563,0.200284263,0.406045247,0.538400555,0.538400555,0.496733888,0.371733888,6.73287657,15.5820524,16.1936451,16.1936451,13.90116385,9.123666347,31.59900002,20.32164859,21.74047604,21.74047604,20.59423542,18.11071406,8,2.52,7.2,8,2,5,2.34,1.1928,3.298769777,2.5,2.58640929,3.221970075,0,1,1,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.123,0.124,0.163,3.271,10,5,6,0,0,0,0,0,0,36,2.197224577,2.63905733,2.397895273,2.564949357,0,0,0,0,0,0,3.951243719,1.416666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,6,0.857142857,0,2,4,1,4,0.666666667,0.75,0,0,0,0,0,0,0,0.571428571,0.066666667,0.15,0,0,0,0,0,0,0,0.788095238,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,0,144.287877,4,3.555348061,4.17438727,5.056245805,5.686975356,6.577861358,7.211556733,8.105005538,8.739536423,9.633841843,73.74075839,2.708050201,0,4.007333185,0,5.416100402,0,6.882437471,0,8.379079889,8.635687085,112.1252005,4.671883355,14.27908074,1.784885093,0,0,0,66,5,3.752,34,1.532299407,2.344086391,3.020304406,3.384606464,3.915001136,4.293606309,0,0,0,0,102.9834754,99.97065552,73.75969993,51.96637433,47.39926327,4.362578801,0,0,0,0,373.0827774,395.4979654,433.4387373,272.7546818,449.1939834,133.4613612,0,0,0,0,11.1765132,16.65692113,21.61642643,23.23580944,27.86553736,28.84643942,0,0,0,0,2.776625737,3.145166008,3.834733762,2.61565633,4.359527238,1.908992773,0,0,0,0,217.8091721,365.5370332,455.0672312,588.4512555,599.4749482,793.9635973,0,0,0,0,3.578917866,4.498638191,6.327773687,4.576454372,7.830002271,4.293606309,0,0,0,0,0.573788965,0.659321306,0.81563339,0.568698391,0.939600273,0.439665286,0,0,0,0,346.4533979,151.162127,9.721955598,92.01875417,-40.14898018,-4.926495155,254.4346438,191.3111072,14.64845075,0.790137746,0.344747383,0.022172344,0.209862254,-0.091565633,-0.011235594,151.910167,66.28038316,4.262806794,40.34766118,-17.60420974,-2.160130933,0.13218865,0.183091419,3.374623391,3.477818844,438.4721521,0,1,0,293.7079785,17.13791057,6.647197481,430.8963167,20.75804222,7.55308306,782.9983827,27.98210826,9.216944131,1.233340139,1.04721727,372.5493724,334.6879629,173.8514892,1.113124503,2.14291735,1.925137165,3.953077598,3.620223298,6.584423749,0.818789397,6.535468372,3.553055261,9.120164863,17.28364481,12.21868962,19.9886838,11.01816369,9.224645054,3.773675259,2.299654819,2.876686761,0.490301596,3.16E-08,3.93E-37,9.41E-88,4.35E-160,3.88E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,0.522918327,3.251661371,0.830860367,5.644401523,1.355095328,1.771218104,0.933109466,0.450007889,0.230264109,0.175618397,0.032176749,0.003453234,2.23E-10,2.77E-39,6.63E-90,3.06E-162,2.73E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,1.704885127,3.271801626,2.103109395,7.96069461,3.214195177,4.110737018,2.100374403,1.666273739,0.467280041,0.578365577,0.241747064,0.035985363,2.32E-09,2.88E-38,6.91E-89,3.19E-161,2.85E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,6.151350645,3.519965035,8.464197183,16.55004084,11.42684117,18.38555991,10.08544807,8.48411413,3.384724011,2.158721881,2.571280992,0.436849895,2.81E-08,3.50E-37,8.39E-88,3.88E-160,3.46E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,2.529725572,3.297914055,3.101108278,9.568431287,4.596822751,6.126213153,3.16631347,2.671879458,0.774367625,0.863988186,0.495784373,0.078165017,5.04E-09,6.26E-38,1.50E-88,6.94E-161,6.19E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,7.975888511,3.69219508,11.71753125,20.02375969,15.2945051,26.47826261,14.82960724,12.19739086,5.409109444,2.833843261,4.15651057,0.715058799,4.61E-08,5.73E-37,1.37E-87,6.35E-160,5.66E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,3.523504568,3.153520732,4.235009567,11.1738129,6.098602794,8.51784247,4.754345619,4.00735246,1.262852495,1.257896042,0.872007069,0.14102617,9.09E-09,1.13E-37,2.71E-88,1.25E-160,1.12E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,3.045500904,1.63377395,1.060337972,0.530610861,0.284648808,0.413266055,0.387314648,0.409870512,5.739612826,9.937272852,20.95276696,0.295916292,1.210451215,2.385169389,0.944553678,0.606823536,0.605904014,0.239944747,0.25183844,0.127775988,0.13285241,3.936546603,4.273474844,9.577146643,0.408856021,0.512466838,2.644702421,1.219175832,0.788787729,0.568427313,0.262038117,0.309610479,0.213927155,0.22577348,4.652665981,6.272137025,13.46813646,0.352640969,0.749311114,3.028888819,1.616798959,1.049286209,0.531852968,0.28389927,0.40860361,0.379175968,0.401328523,5.694973987,9.771760406,20.60519839,0.297779452,1.1891081,2.761580506,1.341206403,0.869082954,0.555441028,0.269758952,0.337972744,0.259497464,0.274579833,4.971869863,7.269511624,15.46033392,0.333161541,0.872050041,3.097588989,1.686889972,1.094886154,0.526857735,0.286917029,0.428097817,0.413360886,0.437141273,5.879365115,10.46375157,22.06421633,0.290286603,1.278599975,3.03350605,1.618439638,1.047329692,0.532261708,0.283972879,0.409839747,0.37986715,0.399684879,5.699275379,9.781667276,20.62285641,0.298392563,1.189391776 +UMLMON0046,L,"2,4,4-Trimethyl-2-Pentene",CC(=CC(C)(C)C)C,7869,,"Sandia, UML","[1], [4]",C8H16,PubChem,,86.2,0,0.5918,0.35022724,27.5299,19.895102,0,0,20,6,14,0,6,0,0,0,0,0,0,0,0,0,879.809622,890.819837,974.639069,741.651627,487.49333,160.526016,18.289152,0,0,2976.273833,3723.897138,4754.238025,4583.736898,3354.775021,1843.095563,559.5073998,0,0,139.301592,137.349428,253.958324,314.377068,309.563336,186.188544,120.932352,0,0,22.95798067,29.53412034,41.10612815,43.09479573,34.06119458,20.03172529,8.003032287,0,0,3349.613265,2777.687448,5730.516907,7383.84195,7759.916289,4611.235353,3328.517736,0,0,32.27777778,37.91666667,56.66666667,68.33333333,60,39,18,0,0,43.9904811,46.88525458,27.07330747,16.48114727,10.83318511,5.945408,1.016064,0,0,148.8136916,195.9945862,132.0621674,101.86082,74.55055603,68.26279863,31.08374443,0,0,6.9650796,7.228917263,7.054397889,6.986157067,6.879185244,6.895872,6.718464,0,0,1.147899033,1.554427386,1.141836893,0.957662127,0.756915435,0.741915752,0.444612905,0,0,167.4806632,146.1940762,159.1810252,164.0853767,172.4425842,170.7864946,184.917652,0,0,1.613888889,1.995614035,1.574074074,1.518518519,1.333333333,1.444444444,1,0,0,0.028295987,-0.005572289,-0.004579185,-0.011415774,0.006231682,-0.00836461,0.009552182,0,0,508.4772378,-59.32234441,-92.01016684,-236.0787175,78.69290585,-141.6472305,196.1269346,0,0,945.5351364,-110.3124326,-171.0968342,-438.9984562,146.3328187,-263.3990737,364.7064098,0,0,0.0996072,-0.01162084,-0.01802416,-0.0462462,0.0154154,-0.02774772,0.03841992,0,0,4.226981996,-0.4931479,-0.764882456,-1.962527355,0.654175785,-1.177516413,1.630407341,0,0,22.96103329,-2.678787217,-4.154853643,-10.66047974,3.553493247,-6.396287845,8.856398555,0,0,2.672222222,-1.280277778,0.456666667,-1.320833333,1.295833333,-1.3325,0.845,0,0,0.001414799,-2.93E-04,-1.27E-04,-2.54E-04,1.38E-04,-3.10E-04,5.31E-04,0,0,25.42386189,-3.122228653,-2.555837968,-5.246193723,1.748731241,-5.246193723,10.89594081,0,0,47.27675682,-5.805917504,-4.752689839,-9.755521249,3.251840416,-9.755521249,20.26146721,0,0,0.00498036,-6.12E-04,-5.01E-04,-0.001027693,3.43E-04,-0.001027693,0.00213444,0,0,0.2113491,-0.025955153,-0.021246735,-0.043611719,0.01453724,-0.043611719,0.090578186,0,0,1.148051665,-0.140988801,-0.115412601,-0.23689955,0.078966517,-0.23689955,0.492022142,0,0,0.133611111,-0.067383041,0.012685185,-0.029351852,0.028796296,-0.049351852,0.046944444,0,0,-0.207293275,-0.08990645,-0.179307308,0.097880896,-0.218971228,0.375089785,0,0,-0.122807018,-0.100529101,-0.206349206,0.068783069,-0.206349206,0.428571429,0,0,-0.122807018,-0.100529101,-0.206349206,0.068783069,-0.206349206,0.428571429,0,0,-0.122807018,-0.100529101,-0.206349206,0.068783069,-0.206349206,0.428571429,0,0,-0.122807018,-0.100529101,-0.206349206,0.068783069,-0.206349206,0.428571429,0,0,-0.122807018,-0.100529101,-0.206349206,0.068783069,-0.206349206,0.428571429,0,0,-0.504322136,0.094941095,-0.21968122,0.215523216,-0.369369369,0.351351351,0,0,1.749359878,1.154757971,1.194785797,0.68709533,1.129847428,1.91E-05,0,0,1.666666667,1.256613757,1.206349206,0.703703704,1.005291005,0,0,0,1.666666667,1.256613757,1.206349206,0.703703704,1.005291005,0,0,0,1.666666667,1.256613757,1.206349206,0.703703704,1.005291005,0,0,0,1.666666667,1.256613757,1.206349206,0.703703704,1.005291005,0,0,0,1.666666667,1.256613757,1.206349206,0.703703704,1.005291005,0,0,0,2.11018711,0.757103257,1.237699238,0.53984754,1.58004158,0,0,0,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,27.62178083,13.72524227,21.8568937,27.5075833,4.584597216,13.72524459,-0.171296296,0.063579364,0.010596561,-1.653279794,17.67646965,2.946078274,1.723340614,0,11.89,12.11007471,-0.16472489,0.055946927,5.126994186,7.334600783,5,19,19,19,5,0,0,0,0,0,15.304898,3.473871363,2.995201137,2.333552793,2.214028496,1.445561172,0.972879173,0.083923071,0.083923071,1.901370199,1.610278754,1.249629723,1.12150557,0.669641221,0.379130244,0.083923071,0.083923071,3.502794884,3.038827881,2.405454588,2.283862734,1.54799348,1.097514108,0.270913902,0.270913902,1.839153023,1.525402757,1.134540686,1.006098022,0.525229691,0.220540086,0.270913902,0.270913902,3.629932889,3.227855553,2.704236987,2.577311006,1.962425044,1.586624852,0.943918427,0.943918427,1.655283249,1.264875661,0.76031856,0.632864871,0.038010704,0.326477276,0.943918427,0.943918427,3.524104373,3.070848611,2.457539916,2.334662184,1.621603013,1.186107579,0.399277246,0.399277246,1.799449735,1.470373296,1.058262671,0.929737572,0.428200161,0.113178768,0.399277246,0.399277246,3.691746928,3.317676688,2.838982085,2.710985541,2.142855573,1.79305263,1.207644823,1.207644823,1.597738071,1.180490847,0.631337262,0.50529439,0.136884521,0.528545542,1.207644823,1.207644823,3.511109125,3.147375139,2.627181624,2.422748981,1.697709915,1.269682936,0.580645161,0.580645161,1.799116918,1.379057509,0.88524614,0.813837494,0.317232616,0.002553925,0.580645161,0.580645161,0,0,0,0,0,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.288675135,0,0.288675135,0.288675135,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,9.792794627,19.21485798,18.07843137,18.32,11.58988144,154.455091,0.489639731,0.960742899,0.903921569,0.916,0.579494072,7.722754551,2.4425,29.746,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,6.729166667,0,2.706018519,0,0,0,0.898148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.222222222,0,1.331018519,0,0,0,0.898148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.253472222,0,1.375,0,0,0,0.898148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.33333333,1.722222222,0.2,2.253472222,0.2,0.898148148,4.593013889,0.435185185,0.253472222,1.458333333,0.435185185,0.253472222,1.458333333,3,0.5,0,0,0.42,0.7,0.42,0.42,0.7,0,0,0,0,0.71429,0,0,0.5,0.16667,0,2.5,0.41667,2.5,0.41667,0,0,-2.5,-0.41667,0,0,5.69868,0.94978,5.69868,0,0,2.77005,0.46167,2.77005,0,0,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,1,0.881290899,1.319035274,2.395461844,2.90869497,2.63034294,2.028212946,17.62581798,26.38070549,47.90923688,58.17389939,52.6068588,40.56425892,0.203911514,0.305196025,0.554257681,0.673008645,0.608604049,0.469284287,3.440637196,3.002892821,1.926466251,1.413233125,1.691585155,2.293715149,0.207463733,0.310512661,0.56391307,0.684732722,0.619206173,0.477459406,6.616095946,11.86902845,15.56720586,14.98523755,13.42855542,8.070974753,23.80204551,17.71551634,15.91187884,16.46882451,14.18890078,10.52154675,6,3.2,5.333333333,6,0,5,2.12,0.954,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,2.54,5,3,2,0,0,0,0,0,0,21,1.791759469,1.791759469,1.386294361,1.098612289,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,112.3323665,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,86.10955045,4.305477522,10.67917749,1.779862916,0,0,0,32,3,3.693,20,1.220894737,2.103173734,2.866227449,3.481606509,4.458488244,5.352201744,0,0,0,0,67.74862772,64.92246437,53.73170424,46.30289634,29.20798765,5.438179512,0,0,0,0,263.8372191,301.2768942,310.6084069,288.867083,324.7167879,166.3664711,0,0,0,0,8.859366903,14.89288075,20.06662049,24.03635565,30.84235415,35.95857474,0,0,0,0,2.030985313,2.547295132,2.859045839,2.828771283,3.470694886,2.379657965,0,0,0,0,176.3944505,330.6965185,467.2285651,593.9267762,753.7080676,989.7165796,0,0,0,0,2.492653509,3.434273209,4.446910857,4.851021523,6.683519787,5.352201744,0,0,0,0,0.422269342,0.539354181,0.61427093,0.615416415,0.762713537,0.548065459,0,0,0,0,357.6913985,122.5615197,8.611633058,141.5189316,-48.49089298,-8.604111353,216.1724669,171.0524127,17.21574441,0.716514417,0.245510784,0.017250511,0.283485583,-0.097135195,-0.017235443,178.5632411,61.18397672,4.299016181,70.64771253,-24.20715469,-4.295261268,0.08576595,0.190164208,1.485600379,12.37944435,499.21033,0,1,0,310.4078457,17.6183951,6.770866172,446.0263509,21.11933595,7.640471717,476.928456,21.83869172,7.812998576,1.463026135,1.205835205,323.3377633,278.6229185,74.98855203,1.160485164,4.311828333,3.715539385,3.714259789,3.220218461,6.42424645,0.994972244,3.904607748,4.742676419,2.30750979,14.59537325,5.371323117,3.184223797,4.445472319,8.803563869,2.930492366,5.567213732,0.884220332,1.126710553,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,4.742376741,0.1403447,5.318846764,0.537063159,0.090119943,0.321566196,0.420332872,0.999042645,0.076317739,0.006228704,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,4.742397317,0.488176359,6.485060806,0.870514822,0.407570523,0.873592172,1.52653453,1.210010517,0.50393807,0.064899514,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,4.742643712,2.141394874,13.77016824,4.844248848,2.883679025,4.090505371,8.076321457,2.74741123,4.985837849,0.787825132,1.003878818,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,4.742423496,0.755020674,7.501587376,1.293404312,0.718759713,1.338573823,2.465542683,1.409253625,1.003308067,0.140967789,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,4.742813825,2.960530141,17.94288387,7.585266227,4.423180983,5.876141169,11.73922679,3.681979415,7.998223977,1.289548769,1.643201451,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.382118359,4.023965691,1.05304845,9.292171182,2.165270721,1.36795853,2.00598993,3.755213295,2.153185928,2.03970989,0.298118512,0.379869115,2.71E-15,3.72E-51,9.85E-109,5.04E-188,4.96E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.784053,1.195212013,0.567671482,0.682187907,0.215472453,0.538948546,0.48479583,0.436924265,5.546936495,7.349332354,15.46370255,0.523281861,1.460668642,3.059953094,0.695064126,0.176669504,0.778279988,0.176785226,0.3523128,0.163802889,0.042274796,3.931686723,2.790260649,7.097699312,0.667419981,0.558390485,3.361802645,0.903567819,0.339682601,0.730024735,0.196212249,0.425303854,0.276926578,0.156365311,4.605053064,4.486488816,10.12336742,0.595037103,0.858595742,3.767499191,1.183779004,0.558734364,0.6837551,0.214841435,0.534239732,0.475556057,0.423268722,5.510012559,7.226335713,15.22824009,0.525632651,1.433064511,3.490086016,0.992175046,0.408952949,0.713541875,0.202848422,0.458406686,0.333956694,0.22668288,4.891214011,5.295810132,11.6031367,0.570312812,1.01904626,3.83546565,1.230720263,0.595427855,0.677450954,0.217379764,0.553705058,0.514060201,0.48071748,5.661613768,7.736933505,16.20919616,0.516176431,1.548482739,3.779791872,1.187105812,0.559071711,0.684005213,0.214823088,0.537745022,0.47831075,0.423714629,5.525969396,7.263864888,15.29839626,0.526007819,1.4397704 +UMLMON0047,L,2-Methylpentane,CCCC(C)C,7892,,"Sandia, UML",[1],C6H14,PubChem,,73.5,0,-0.4558,0.20775364,24.1299,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,890.291353,994.748085,716.772887,477.731566,127.119888,9.144576,0,0,2644.81273,3144.163273,3730.992294,3247.508299,2181.171529,1120.963057,279.7536999,0,0,118.238936,111.372268,196.083876,225.06698,174.07936,111.43008,60.466176,0,0,19.03383305,23.6303831,30.19190358,27.3996407,19.44148531,10.95324725,4.001516144,0,0,2668.599586,2191.74623,4310.126609,5019.500517,4094.498444,2583.794029,1664.258868,0,0,74.27777778,40.75,63.83333333,82.16666667,57.5,39,9,0,0,61.71557788,59.35275687,36.84252167,23.89242957,19.90548192,8.4746592,1.016064,0,0,165.3007956,209.6108849,138.1848998,108.2502766,90.88214705,74.73087045,31.08374443,0,0,7.3899335,7.424817867,7.262365778,7.502232667,7.253306667,7.428672,6.718464,0,0,1.189614566,1.575358873,1.118218651,0.913321357,0.810061888,0.730216483,0.444612905,0,0,166.7874742,146.1164153,159.6343189,167.3166839,170.6041018,172.2529352,184.917652,0,0,4.642361111,2.716666667,2.364197531,2.738888889,2.395833333,2.6,1,0,0,0.121454569,-0.043193133,0.010656547,-0.031482461,0.019033133,-0.022148813,0.006407442,0,0,523.7576238,-43.92541314,19.66342755,-230.5705662,19.12723312,-198.4686508,172.2951575,0,0,766.4429154,-94.95499335,-135.8422519,-212.6341937,13.9033117,-202.6791246,248.9857942,0,0,1.03666,-0.00156025,0.12109675,-0.4250675,-0.05685,-0.27394125,0.11799225,0,0,3.391946473,-0.464107523,-1.103534916,-0.493834691,-0.053678424,-0.513699117,0.932881435,0,0,18.82152525,-2.587911668,-6.817934048,-2.057802336,-0.526885346,-2.209029454,4.788800225,0,0,33.10416667,-0.858072917,4.178385417,-13.8828125,-0.25,-9.024739583,3.28515625,0,0,0.007590911,-0.002879542,3.95E-04,-0.001049415,7.93E-04,-0.001476588,7.12E-04,0,0,32.73485148,-2.928360876,0.728275094,-7.685685539,0.796968047,-13.23124338,19.14390639,0,0,47.90268221,-6.33033289,-5.031194516,-7.087806457,0.579304654,-13.51194164,27.66508825,0,0,0.06479125,-1.04E-04,0.004485065,-0.014168917,-0.00236875,-0.01826275,0.01311025,0,0,0.211996655,-0.030940502,-0.040871664,-0.016461156,-0.002236601,-0.034246608,0.103653493,0,0,1.176345328,-0.172527445,-0.252516076,-0.068593411,-0.021953556,-0.14726863,0.532088914,0,0,2.069010417,-0.057204861,0.154755015,-0.462760417,-0.010416667,-0.601649306,0.365017361,0,0,-0.379340816,0.051994674,-0.138246309,0.104473267,-0.194520475,0.093788227,0,0,-0.089456978,0.022247698,-0.234786021,0.024346164,-0.404194392,0.584817267,0,0,-0.132149863,-0.105029495,-0.147962622,0.012093366,-0.282070669,0.577526914,0,0,-0.001605412,0.06922331,-0.218685651,-0.036559721,-0.281870623,0.202345996,0,0,-0.145948065,-0.192793908,-0.077648189,-0.010550171,-0.161543152,0.488939285,0,0,-0.146663943,-0.21466152,-0.058310608,-0.01866251,-0.125191665,0.452323736,0,0,-0.027648416,0.074796634,-0.223662681,-0.005034613,-0.290790854,0.176421229,0,0,1.076669604,0.71134427,1.441396391,0.843171933,1.408745647,0.003828651,0,0,1.170927332,0.915782169,1.237378961,0.855531925,1.337055762,0,0,0,1.491123972,1.167254118,1.028522109,0.816418639,1.044504574,0,0,0,0.512040592,0.530805128,1.627408215,0.985701677,1.700571065,0,0,0,1.594610489,1.277272841,0.952397111,0.814556278,0.898214131,0,0,0,1.599979575,1.293653979,0.94524565,0.818462086,0.871412624,0,0,0,0.541220894,0.518145584,1.63876652,0.954216488,1.721837634,0,0,0,19.84869454,10.04934727,16.04478306,20.0153612,3.335893534,10.04946897,0.25,0.145135574,0.024189262,-1.15805219,27.35389766,4.558982943,1.985315417,19.85036888,10.04981723,16.04540607,20.01654593,3.336090989,10.04993885,0.249265579,0.145112873,0.024185479,-1.158146043,27.3472863,4.557881049,1.985170382,21.33863364,10.46981958,16.63031234,21.07263732,3.51210622,10.4698898,-0.398994478,0.12232631,0.020387718,-1.260637878,23.03690567,3.839484278,1.882258514,19.85212614,10.05031047,16.04606002,20.01778934,3.336298224,10.050432,0.2484948,0.145089042,0.024181507,-1.158244585,27.34035322,4.556725537,1.98501825,22.92527446,10.9214901,17.34527551,22.20374495,3.700624158,10.92153228,-1.082294264,0.090382996,0.015063833,-1.442219477,20.70991669,3.451652782,1.818367592,20.02409351,10.09861385,16.1104278,20.1395163,3.35658605,10.09872726,0.173134186,0.142726626,0.023787771,-1.168094512,26.68900312,4.448167187,1.970550968,22.01238989,11.08688214,18.18853627,22.2350354,3.705839233,11.08693252,0.667936508,0.189107237,0.031517873,-0.99926462,46.65332405,7.775554009,2.305646508,0,11.89,15.99491589,-0.299494891,0.191074243,3.958059471,6.545506816,5,15,14,14,4,1,1,0,0,1,11.89007,3.513617914,2.995054802,2.243611616,1.952483458,1.332142786,0.083923071,0.083923071,0.083923071,1.827144974,1.522159866,1.138252891,0.677479591,0.204151997,0.083923071,0.083923071,0.083923071,3.472090895,2.98933329,2.30767854,1.820712504,1.385331191,0.270913902,0.270913902,0.270913902,1.790675693,1.463585996,1.027058745,0.579702946,0.315668329,0.270913902,0.270913902,0.270913902,3.621651732,3.196376987,2.604042724,2.222194235,1.848806117,0.943918427,0.943918427,0.943918427,1.596730793,1.19210608,0.65466726,0.128065661,0.184834489,0.943918427,0.943918427,0.943918427,3.474545379,3.005356509,2.35732026,1.812352255,1.426573966,0.399277246,0.399277246,0.399277246,1.771859608,1.425885195,0.953681105,0.549214971,0.298158986,0.399277246,0.399277246,0.399277246,3.659745852,3.268622823,2.735145633,2.29559102,2.001683896,1.207644823,1.207644823,1.207644823,1.553950198,1.120679461,0.528591107,0.027361458,0.309758365,1.207644823,1.207644823,1.207644823,4.768705223,3.280342642,2.816953504,2.424657776,1.650623634,0.576923077,0.576923077,0.576923077,1.675474914,1.218219242,0.828853611,0.313741666,0.4411605,0.576923077,0.576923077,0.576923077,0,0,0,1,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.144337567,0,0,0,0.288675135,0.288675135,0,0.102062073,0.102062073,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.322461853,2.264784317,1.452015103,0.602062073,0.352062073,0,0,0,0.720410309,0.452956863,0.290403021,0.200687358,0.176031036,0,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,1.3755,25.589,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,2,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.972916667,0.802777778,0,0,0,0,0,0,0,0,0,0,3.615972222,0,1.717592593,0,0,0,0,0,0,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.265625,0.401388889,0,0,0,0,0,0,0,0,0,0,1.614583333,0,0.736111111,0,0,0,0,0,0,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.001388889,0,0.981481481,0,0,0,0,0,0,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.66666667,2.611111111,0.594097222,10.04375,0.265625,0.289351852,2.349181019,1.377314815,3.04375,6.090277778,1.377314815,3.04375,6.090277778,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.42,0.49792,0.82778,0.07792,0,-0.07792,0,0.57047,0.14382,0,0.47059,0.17647,0,4.25,0.70833,2.75,0.45833,1.5,0.25,-1.25,-0.20833,0,0,4.00539,0.66756,5.69868,1.6933,0.28222,2.02767,0.33795,2.77005,0.74238,0.12373,0.14395,0.02399,0.14395,0.02399,0,5.01,1,1,1,1,0,0,0.8,1.198192411,1.923794941,3.155639062,3.155639062,2.905639062,1.905639062,19.17107858,30.78071905,50.490225,50.490225,46.490225,30.490225,0.299548103,0.480948735,0.788909766,0.788909766,0.726409766,0.476409766,2.801807589,2.076205059,0.844360938,0.844360938,1.094360938,2.094360938,0.299548103,0.480948735,0.788909766,0.788909766,0.726409766,0.476409766,10.71860945,19.4258398,20.66732315,20.66732315,17.66732315,9.789388759,21.96987352,13.73794941,13.71691719,13.71691719,12.21691719,9.966917187,6,3.2,5.333333333,6,1,5,1.9,0.8288,0.25,2.149139864,1.154700538,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,2.889,5,3,2,0,0,0,0,0,0,21,1.945910149,2.079441542,1.609437912,1.386294361,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,17.07,101.1901498,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,86.07316494,5.379572809,10.67917749,1.779862916,2.347570326,2.347570326,0,32,3,1.007,20,1.2268,2.113364829,2.896846543,3.596214336,4.937497236,5.820562243,0,0,0,0,82.78024119,88.02694618,76.67620692,85.98988054,43.21387058,5.914063755,0,0,0,0,280.7281514,316.1513677,335.6752916,370.9628544,383.0039444,180.9248692,0,0,0,0,9.137724337,15.4572796,21.78617485,26.07020108,36.59923608,39.10523789,0,0,0,0,2.061570699,2.496831577,2.779517058,3.213775422,3.736094519,2.587897087,0,0,0,0,177.2249115,333.5272639,481.6109711,602.3507378,844.0222224,1076.324703,0,0,0,0,3.395038889,5.309415515,8.049055351,8.752170784,12.6899337,5.820562243,0,0,0,0,0.444136,0.564662815,0.65641917,0.747552038,0.900452847,0.596025574,0,0,0,0,332.9460549,139.6485682,11.64907859,183.6545531,-77.03078325,-20.29632305,149.2915018,216.6793515,31.94540164,0.644494121,0.270322114,0.022549487,0.355505879,-0.149110903,-0.039288229,172.0001344,72.14253524,6.017921083,94.87605379,-39.79414946,-10.48509283,0.308901391,0.714009424,7.800769341,30.39959571,474.0247053,42.57590266,0.91758449,0.08241551,382.2140291,19.55029486,7.257196369,479.08439,21.88799648,7.824753652,582.7530733,24.14027906,8.352725147,1.656069001,1.452219181,315.9669092,269.5052394,59.86183295,1.172396165,5.278269869,4.502121403,3.544697262,3.285516602,6.459304838,0.965993669,2.80222057,3.881220796,1.659208075,9.116828954,3.023478043,0.137325654,1.998056806,7.579451155,2.085600173,1.105747281,0.045295356,1.694936254,4.02E-13,1.84E-47,1.62E-103,2.77E-181,9.08E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,0.251664719,3.88108081,0.108734846,3.337172573,0.110200318,0.002843412,0.358811407,0.358102133,0.886687385,0.013053462,3.67E-04,0.011937575,2.83E-15,1.30E-49,1.14E-105,1.95E-183,6.40E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765026468,3.88097264,0.371109428,3.589299283,0.342752115,0.014492837,0.66344821,1.23111329,1.121989236,0.09468392,0.00344879,0.124398732,2.95E-14,1.35E-48,1.19E-104,2.03E-182,6.67E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650178473,3.881263869,1.545147685,9.009618661,2.966716283,0.124042604,1.912250385,7.17548485,2.00890587,0.988826592,0.040390678,1.510157688,3.58E-13,1.64E-47,1.45E-103,2.46E-181,8.09E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,1.11993283,3.88094414,0.567287792,3.973984989,0.546604501,0.027044658,0.882765729,1.945293964,1.286305134,0.192708715,0.007372114,0.270210668,6.41E-14,2.93E-48,2.59E-104,4.41E-182,1.45E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,3.384110175,3.881356617,2.103259019,11.74455305,4.367864151,0.194991506,2.388236595,10.30949408,2.373489365,1.595453589,0.065901129,2.471905234,5.86E-13,2.68E-47,2.37E-103,4.03E-181,1.32E-280,0,0,0,0,0,0,0,0,0,0,0,0,0,1.722243656,3.584119896,0.817405473,8.375145509,2.503703049,0.052386787,1.387716089,4.538667569,1.886527065,0.390833769,0.015285688,0.564142984,1.34E-13,6.13E-48,5.41E-104,9.21E-182,3.02E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,4.298308944,0.76307367,0.415503769,0.784808857,0.139326182,0.571478487,0.435097948,0.499980711,5.476886383,5.382949933,12.22265809,0.677213286,1.506557147,3.146876468,0.705610871,0.077800227,0.800673339,0.179531614,0.318767766,0.338503802,0.017529319,3.930287567,2.520194637,6.623235294,0.701010008,0.674800888,3.661752897,0.616844975,0.21380166,0.815099563,0.137308574,0.415474893,0.28634611,0.13238094,4.492399532,3.173505204,8.148825789,0.722649345,0.834201944,4.210494886,0.806288475,0.397925649,0.777603169,0.148907074,0.548365433,0.488232146,0.458571628,5.414709011,5.391180277,12.15679653,0.666404754,1.495169208,3.912083873,0.59247624,0.280208577,0.817611911,0.123825472,0.473344335,0.263103145,0.227387279,4.78476869,3.580033123,9.014273944,0.726417867,0.963834759,4.362984672,0.797203455,0.439055472,0.779209655,0.142376991,0.588812263,0.474806345,0.558267188,5.599243599,5.743795286,12.87015568,0.668814482,1.621885796,4.217789496,0.812485802,0.397230173,0.777113817,0.149697832,0.550297913,0.495979347,0.456970088,5.427505471,5.425071209,12.21384241,0.665670726,1.503247348 +UMLMON0048,L,2-pentanone,CCCC(=O)C,7895,MON from [11],"Sandia, UML","[9], [11]",C5H10O,PubChem,,103.27,0,1.2082,1.45974724,33.401,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1289.413615,1004.9545,814.460644,302.76288,36.578304,0,0,3461.958223,4376.887272,5892.91255,6092.452474,4866.454479,3126.683726,1119.0148,0,0,160.279036,159.125208,296.711548,379.656976,432.938128,251.444736,241.864704,0,0,26.63610648,34.55010896,49.80024258,56.12991302,48.09066387,32.0604183,16.00606457,0,0,3846.242925,3210.7269,6660.186019,8672.026479,10908.59722,5893.952969,6657.035473,0,0,37.80555556,44.33333333,67.11111111,87.33333333,83,60,36,0,0,44.61329874,48.14991518,30.70032417,18.61026852,12.92794673,8.41008,1.016064,0,0,150.5199227,198.9494215,140.3074417,112.823194,77.2453092,86.85232572,31.08374443,0,0,6.968653739,7.232964,7.064560667,7.030684741,6.872033778,6.984576,6.718464,0,0,1.158091586,1.570459498,1.185720062,1.039442834,0.763343871,0.890567175,0.444612905,0,0,167.2279533,145.9421318,158.5758576,160.5930829,173.1523369,163.7209158,184.917652,0,0,1.643719807,2.015151515,1.597883598,1.617283951,1.317460317,1.666666667,1,0,0,0.031809221,-0.006716478,0.001197502,-0.024035702,0.020938684,-0.026591974,0.019303359,0,0,589.5388264,-58.58770946,-8.010038403,-457.7164802,306.4411835,-480.6023042,403.7059355,0,0,1096.272622,-108.9463475,-14.89500845,-851.14334,569.8404662,-893.700507,750.7084259,0,0,0.115486609,-0.01147693,-0.001569112,-0.089663516,0.060029724,-0.094146692,0.079083221,0,0,4.900848691,-0.487040864,-0.066587618,-3.805006748,2.547452018,-3.995257085,3.356015952,0,0,26.62148787,-2.645613702,-0.361704998,-20.66885705,13.83779979,-21.7022999,18.22993191,0,0,3.311594203,-1.865679479,1.513127494,-3.130119723,3.584908633,-3.574669187,1.816635161,0,0,0.00138301,-3.05E-04,2.85E-05,-4.45E-04,3.32E-04,-7.39E-04,5.36E-04,0,0,25.63212289,-2.663077703,-0.1907152,-8.476231114,4.864145769,-13.350064,11.21405376,0,0,47.66402704,-4.952106706,-0.354643058,-15.7619137,9.045086764,-24.82501408,20.85301183,0,0,0.005021157,-5.22E-04,-3.74E-05,-0.001660435,9.53E-04,-0.002615186,0.002196756,0,0,0.213080378,-0.022138221,-0.001585419,-0.070463088,0.040435746,-0.110979363,0.093222665,0,0,1.157455995,-0.120255168,-0.008612024,-0.382756612,0.219647616,-0.602841664,0.506386998,0,0,0.143982357,-0.084803613,0.036026845,-0.05796518,0.056903312,-0.099296366,0.050462088,0,0,-0.220746452,0.020615871,-0.321838399,0.240316525,-0.534100375,0.387708371,0,0,-0.103896104,-0.007440476,-0.330687831,0.189767574,-0.520833333,0.4375,0,0,-0.103896104,-0.007440476,-0.330687831,0.189767574,-0.520833333,0.4375,0,0,-0.103896104,-0.007440476,-0.330687831,0.189767574,-0.520833333,0.4375,0,0,-0.103896104,-0.007440476,-0.330687831,0.189767574,-0.520833333,0.4375,0,0,-0.103896104,-0.007440476,-0.330687831,0.189767574,-0.520833333,0.4375,0,0,-0.588986142,0.250217082,-0.402585299,0.395210309,-0.689642597,0.350474106,0,0,1.758171921,1.032756391,1.446890374,0.503049927,1.697783992,0,0,0,1.642857143,1.183248299,1.42228836,0.573696145,1.505952381,0,0,0,1.642857143,1.183248299,1.42228836,0.573696145,1.505952381,0,0,0,1.642857143,1.183248299,1.42228836,0.573696145,1.505952381,0,0,0,1.642857143,1.183248299,1.42228836,0.573696145,1.505952381,0,0,0,1.642857143,1.183248299,1.42228836,0.573696145,1.505952381,0,0,0,2.197665937,0.575579174,1.537806954,0.281198986,2.214442013,0,0,0,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,37.48986374,18.62390012,29.28763257,37.31696124,5.330994463,18.62390014,-0.242063492,1.67E-16,2.38E-17,-25.43193482,2000010.202,285715.7432,10.15606399,0,11.89,12.11009426,-0.164615304,0.056093615,5.749051432,7.648782394,6,22,22,22,6,0,0,0,0,0,17.491312,3.526648257,3.112599877,2.333552793,2.333552793,2.181727047,1.162837791,0.902587011,0.083923071,1.926688276,1.667247237,1.249629723,1.249629723,1.084438741,0.440344289,0.348066086,0.083923071,3.553367324,3.150713835,2.405454588,2.405454588,2.250821456,1.269690916,1.031979376,0.270913902,1.867720858,1.58857667,1.134540686,1.134540686,0.969245257,0.290000277,0.186460336,0.270913902,3.67134812,3.318028628,2.704236987,2.704236987,2.542033557,1.702702127,1.537209272,0.943918427,1.694987868,1.351217995,0.76031856,0.76031856,0.597291919,0.218324093,0.373444117,0.943918427,3.573079272,3.178805544,2.457539916,2.457539916,2.301138919,1.346550641,1.123795185,0.399277246,1.83022888,1.537907807,1.058262671,1.058262671,0.893065587,0.188893887,0.076887173,0.399277246,3.729063388,3.398793114,2.838982085,2.838982085,2.67505104,1.891182114,1.749263129,1.207644823,1.641383456,1.275766962,0.631337262,0.631337262,0.470453387,0.40108138,0.581393754,1.207644823,3.544875463,3.234857964,2.61879123,2.61879123,2.361003522,1.396934638,1.208461479,0.575342466,1.845944923,1.466086296,0.892763832,0.892763832,0.800329812,0.097213156,0.038783586,0.575342466,0,0,0,0,0,4,1,2,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.816496581,0,0,0,0.471404521,0.942809042,0.23570226,0.471404521,0.942809042,0.23570226,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.6885,34.293,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,38,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,4,0,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,9.055555556,0,1.361111111,0,0,0,1.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.263888889,0,1.361111111,0,0,0,0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.263888889,0,1.361111111,0,0,0,0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.16666667,1.738095238,0.2,2.263888889,0.2,0.875,5.311805556,0.458333333,0.263888889,2.111111111,0.458333333,0.263888889,2.111111111,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.57143,0.28571,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.47656,1.06808,7.47656,0,0,3.12588,0.44655,3.12588,0,0,0.28812,0.04116,0.28812,0.04116,0,6,0,0,0,0,0,0,1,0.886540893,1.306170652,2.044451086,2.044451086,1.847774479,1.234981096,20.39044053,30.04192499,47.02237498,47.02237498,42.49881302,28.4045652,0.195982923,0.288748262,0.451956026,0.451956026,0.408477765,0.273010762,3.637021063,3.217391304,2.47911087,2.47911087,2.675787477,3.28858086,0.19880132,0.292900702,0.45845553,0.45845553,0.414352016,0.276936884,6.634953582,11.67051069,12.41456819,12.41456819,10.05444891,6.068894352,27.76507516,21.21742031,22.49198364,22.49198364,21.311924,17.02237031,7,3.06122449,6,7,0,5,2.23,1.0949,1.889881575,2,4.618802154,0,0,2,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,2.811,7,4,4,0,0,0,0,0,0,28,1.945910149,2.079441542,1.609437912,1.609437912,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,2.5,0.444444444,0.5,0,0,0,0,0,0,0,0.416666667,0.063492063,0.125,0,0,0,0,0,0,0,0.60515873,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,0,129.6283511,3.807354922,3.295836866,3.891820298,4.65396035,5.262690189,6.033086222,6.64509097,7.417580402,8.030409562,8.803424212,67.03389907,2.564949357,0,3.713572067,0,4.976733742,0,6.300785795,0,7.655864018,7.958576904,100.1252005,4.353269587,12.50916243,1.787023205,0,0,0,48,4,4.201,26,1.224818182,2.110657079,2.894964612,3.459229516,4.302684992,4.961617097,0,0,0,0,69.72220731,74.05869283,59.19211135,52.69936513,38.59170013,5.041320514,0,0,0,0,268.787596,322.8305105,342.2742041,291.6801335,391.8435021,154.2256378,0,0,0,0,8.893455721,14.97231911,20.39096586,23.83418797,30.13901462,33.33444585,0,0,0,0,2.059771149,2.666275448,3.106136598,2.795064771,3.976929202,2.20599899,0,0,0,0,176.6115071,330.2656746,462.1949756,594.3973487,697.5427907,917.4905839,0,0,0,0,2.51619697,3.51717407,4.759650394,4.723785449,7.388053557,4.961617097,0,0,0,0,0.427911136,0.562382111,0.66508454,0.606794077,0.865141658,0.508069591,0,0,0,0,372.2477062,145.3219568,8.886691416,126.2977843,-49.3054513,-7.265832583,245.949922,194.6274081,16.152524,0.746667482,0.291491869,0.017825237,0.253332518,-0.098898601,-0.014574061,185.5824153,72.44960624,4.430419931,62.9651908,-24.5810104,-3.622348069,0.075294283,0.160214534,0.926109052,9.165087944,498.5454905,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,621.903098,24.93798504,8.53573467,1.404310375,1.404310375,364.3162779,345.2860334,119.0552266,1.055114434,3.060061184,2.900217346,3.933228778,3.22022378,6.424248771,0.99496967,4.462408855,5.691203506,2.797575608,18.20912219,5.988481935,11.66874289,6.912930956,12.27598257,4.238511116,6.905147207,1.605945921,1.126710556,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690852012,0.161793675,7.555440401,1.037894845,1.451060902,0.365282501,0.592520706,1.057460219,0.085778441,0.011311877,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.69087613,0.570383221,9.236120945,1.385042008,2.796094472,1.12223083,2.120727855,1.432429087,0.602231232,0.117870089,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691165138,2.590426972,17.38216366,5.450731076,10.78121932,6.307057247,11.25767979,3.946713009,6.177938327,1.430869639,1.00387882,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690906828,0.889297504,10.5365233,1.82031689,3.939321228,1.813937363,3.424147263,1.77129408,1.216721603,0.256026956,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691364698,3.61654255,21.46939034,8.245992229,15.25232951,9.389006307,16.39038951,5.429108477,9.949351807,2.342117712,1.643201455,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.738867285,4.604911638,1.19467072,12.63472009,2.562279929,6.564074637,2.716960672,5.292805327,2.758877206,2.445667946,0.531603137,0.372962548,2.66E-15,3.65E-51,9.67E-109,4.94E-188,4.87E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.656836928,1.197544226,0.973051922,0.627521051,0.205501155,0.559765397,0.460760999,0.513176981,5.827433076,9.102788859,19.19143421,0.441281576,1.533703376,2.948910444,0.689539164,0.49941062,0.712665552,0.166641483,0.363378354,0.152760287,0.135108822,4.137860228,3.850469617,9.003826027,0.568998328,0.651247463,3.242065491,0.899954401,0.69565988,0.670169512,0.186030172,0.439538892,0.260215762,0.26227935,4.837679771,5.799148164,12.66656249,0.505254268,0.962034003,3.640472539,1.185805491,0.962113216,0.628926481,0.20485925,0.554744762,0.4517722,0.5017084,5.788391246,8.960318203,18.90204861,0.443389722,1.508225362,3.367495969,0.989961812,0.779577431,0.655532974,0.192710731,0.474353962,0.314868687,0.329401207,5.137035212,6.730668153,14.46657473,0.483299461,1.118623856,3.707715601,1.234040061,1.007058827,0.623269663,0.207443023,0.57552068,0.489272838,0.549655412,5.948814489,9.552108247,20.10868977,0.434904494,1.61444893,3.651244979,1.188645525,0.964571619,0.629041055,0.204781339,0.558076426,0.453938803,0.504266288,5.804462123,9.008457023,18.9991947,0.443561583,1.516281517 +UMLMON0049,L,"2,4-Dimethylpentane",CC(C)CC(C)C,7907,,"Sandia, UML",[1],C7H16,PubChem,,83.8,0,0.3538,0.12517444,29.5874,19.363516,0,0,19,7,12,0,6,0,1,0,0,0,0,0,0,0,1133.745495,1058.76965,1309.522631,980.07576,837.48782,245.0952,18.289152,0,0,3130.497121,3797.153407,4869.666819,4756.223876,3521.133702,1962.172413,559.5073998,0,0,139.21638,133.148048,238.8371,290.346888,297.194816,162.393984,120.932352,0,0,22.71195886,28.64637172,38.88601801,40.43475799,31.93123952,17.90497835,8.003032287,0,0,3165.229247,2624.785681,5239.795721,6307.685046,7269.461727,3503.329189,3328.517736,0,0,79.80555556,47.16666667,74.22222222,100.8333333,86,69,18,0,0,59.67081553,58.82053611,39.68250397,25.13014769,19.94018619,11.6712,1.016064,0,0,164.7630063,210.9529671,147.5656612,121.9544584,83.83651671,93.43678159,31.08374443,0,0,7.327177895,7.397113778,7.237487879,7.444792,7.076067048,7.733046857,6.718464,0,0,1.195366256,1.591465096,1.178364182,1.036788666,0.760267608,0.852618017,0.444612905,0,0,166.591013,145.8214267,158.7816885,161.735514,173.0824221,166.8251995,184.917652,0,0,4.200292398,2.62037037,2.249158249,2.585470085,2.047619048,3.285714286,1,0,0,0.125470344,-0.043792832,0.013412093,-0.058230479,0.064354802,-0.051443097,0.012964341,0,0,605.7336044,-45.41908671,93.72540758,-506.8584002,393.1711269,-564.6998261,327.2139763,0,0,916.6964704,-95.75164029,10.66748546,-682.2312297,472.4295577,-653.740033,490.2776246,0,0,1.062550737,-0.002447645,0.133494404,-0.472055934,0.242835845,-0.629765551,0.196663512,0,0,4.063287563,-0.461433045,-0.420527699,-2.439619519,1.360197496,-1.958876983,1.888615969,0,0,22.47243353,-2.562605463,-3.059085009,-12.35129549,6.135287904,-9.184291683,9.785772976,0,0,34.00292398,-1.564173592,5.497845491,-16.56740536,10.24792244,-20.11288089,5.497229917,0,0,0.006603702,-0.002432935,4.06E-04,-0.001493089,0.001532257,-0.002449671,7.20E-04,0,0,31.88071602,-2.523282595,2.840163866,-12.99636924,9.361217307,-26.89046791,18.17855424,0,0,48.24718265,-5.319535572,0.323257135,-17.49310845,11.2483228,-31.13047776,27.23764581,0,0,0.055923723,-1.36E-04,0.004045285,-0.012103998,0.005781806,-0.029988836,0.010925751,0,0,0.21385724,-0.025635169,-0.012743264,-0.062554347,0.032385655,-0.093279856,0.104923109,0,0,1.18275966,-0.14236697,-0.092699546,-0.316699884,0.146078283,-0.437347223,0.543654054,0,0,1.789627578,-0.086898533,0.166601379,-0.424805266,0.243998153,-0.957756233,0.305401662,0,0,-0.368419868,0.061545334,-0.226098805,0.232030022,-0.370954229,0.109066271,0,0,-0.079147614,0.089087204,-0.407656128,0.293632593,-0.843471266,0.570205331,0,0,-0.11025588,0.006700021,-0.362572641,0.233139474,-0.645228924,0.564543758,0,0,-0.002431532,0.07233576,-0.216437634,0.103387356,-0.536245339,0.195368801,0,0,-0.119870476,-0.059587712,-0.292505162,0.151435858,-0.436178154,0.490622199,0,0,-0.12036847,-0.07837564,-0.267763515,0.123506312,-0.369768464,0.459648797,0,0,-0.048556769,0.093092764,-0.237370764,0.136340184,-0.535170694,0.170650959,0,0,1.096744496,0.696126185,1.45559027,0.535739388,2.330603395,0.004149381,0,0,1.212328523,0.88646729,1.448849684,0.519039504,1.98189853,0,0,0,1.492302918,1.092143786,1.360526189,0.561866633,1.497089647,0,0,0,0.521883785,0.520629855,1.517126323,0.607822807,2.844229627,0,0,0,1.578834284,1.181956255,1.305469784,0.611189036,1.285388827,0,0,0,1.583316226,1.196478905,1.292177878,0.627316015,1.251156866,0,0,0,0.575113939,0.49305029,1.543796345,0.567178114,2.873702443,0,0,0,25.96314285,13.10657143,20.3329338,26.14171428,3.734530612,13.10657758,0.25,0.068013005,0.009716144,-1.881639444,30.58368688,4.369098126,2.394326731,25.96489984,13.10708271,20.3336424,26.14294669,3.734706669,13.10708887,0.249265579,0.067988311,0.009712616,-1.881893637,30.58985987,4.369979981,2.394468004,27.529989,13.56549726,20.9960364,27.24499295,3.89214185,13.56550072,-0.398994478,0.043721061,0.006245866,-2.190947737,42.43781807,6.062545438,2.62362793,25.96674386,13.10761933,20.33438618,26.14424015,3.734891449,13.10762548,0.2484948,0.067962389,0.009708913,-1.882160577,30.59634635,4.370906621,2.394616421,29.20510565,14.06140569,21.78952822,28.43203832,4.06171976,14.06140769,-1.082294264,0.011852043,0.001693149,-3.104678512,44.57674377,6.368106254,2.658048598,26.14724822,13.1601912,20.40757667,26.27091549,3.752987928,13.16019692,0.173134186,0.065397108,0.009342444,-1.909094066,31.27221929,4.467459899,2.409911099,31.41061657,15.75768821,25.20461995,31.66597371,4.52371053,15.75768869,0.595833333,0.12474119,0.01782017,-1.457059919,21.30881147,3.044115924,2.14138447,0,11.89,15.99491614,-0.299487967,0.191284835,4.115246849,7.408132304,6,18,17,17,5,1,1,0,0,1,14.076484,3.558319352,3.12344078,2.333552793,2.229348518,1.89666642,1.013391022,0.083923071,0.083923071,1.874120128,1.556280499,1.249629723,1.109819166,0.41216828,0.201056763,0.083923071,0.083923071,3.533611473,3.093119753,2.405454588,2.288511769,1.729416719,1.115994053,0.270913902,0.270913902,1.833592029,1.512587495,1.134540686,1.002392129,0.406186076,0.207441325,0.270913902,0.270913902,3.667227493,3.284656791,2.704236987,2.585130525,2.145438227,1.598055479,0.943918427,0.943918427,1.655083163,1.260910823,0.76031856,0.631552381,0.036015662,0.337358679,0.943918427,0.943918427,3.540248905,3.09902604,2.457539916,2.336772788,1.693370082,1.192937891,0.399277246,0.399277246,1.811391263,1.485681914,1.058262671,0.931617153,0.443273648,0.113043226,0.399277246,0.399277246,3.707514721,3.34080596,2.838982085,2.713698371,2.190780519,1.795321321,1.207644823,1.207644823,1.612039294,1.203442543,0.631337262,0.507329386,0.089166256,0.525489439,1.207644823,1.207644823,4.737007632,3.397884332,2.812841976,2.612600818,2.360692296,1.298914343,0.571428571,0.571428571,1.759900725,1.268935406,0.898315104,0.820812075,0.046094333,0.431259103,0.571428571,0.571428571,0,0,0,1,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.552585858,0,0,0,0.471404521,0.942809042,0.23570226,0.287457479,0.454124145,0.083333333,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,5.192705341,2.620626365,2.299986098,0.695705769,0.574914957,0,0,0,0.741815049,0.436771061,0.328569443,0.173926442,0.143728739,0,0,0,9.965765927,18.6576839,17.70196078,17.96,11.27156647,146.3240515,0.524513996,0.981983363,0.931682147,0.945263158,0.59324034,7.701265868,1.6215,30.136,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,38,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,2,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.238541667,0.802777778,0,0,0,0,0,0,0,0,0,0,5.711111111,0,0.722222222,0,0,0,0.525462963,0,0,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.265625,0.401388889,0,0,0,0,0,0,0,0,0,0,1.625,0,0.722222222,0,0,0,0.525462963,0,0,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.043055556,0,0.722222222,0,0,0,0.525462963,0,0,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.5,2.5,0.544097222,10.25416667,0.265625,0.287037037,2.998160648,1.37962963,3.254166667,6.680555556,1.37962963,3.254166667,6.680555556,3.33333,0.47619,0,0.02381,0.48772,0.80952,0.42174,0.48772,0.80952,0.06598,0,-0.06598,0,0.58823,0.12606,0,0.55,0.3,0,4.75,0.67857,3.25,0.46429,1.5,0.21429,-1.75,-0.25,0,0,5.60639,0.80091,7.47656,1.87016,0.26717,2.3835,0.3405,3.12588,0.74238,0.10605,0.28812,0.04116,0.28812,0.04116,0,6.01,1,1,1,1,0,0,0.833333333,1.167436723,1.878477513,2.970840013,2.970840013,2.747264881,1.95822751,22.18129774,35.69107275,56.44596025,56.44596025,52.19803274,37.20632268,0.27482501,0.44221035,0.699362219,0.699362219,0.64673064,0.46098421,3.08049079,2.36945,1.2770875,1.2770875,1.500662633,2.289700004,0.27482501,0.44221035,0.699362219,0.699362219,0.64673064,0.46098421,10.29981851,18.83230798,19.93321825,19.93321825,17.25031667,11.53995111,25.71846446,16.28162645,16.57668442,16.57668442,15.23523362,11.86855782,7,3.06122449,6,7,1,5,2.01,0.9697,0.944940787,1.5,3.464101615,0,0,2,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.437,0.423,0.559,0.164,3.16,7,4,4,0,0,0,0,0,0,28,2.079441542,2.302585093,1.791759469,1.945910149,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,2.5,0.444444444,0.5,0,0,0,0,0,0,0,0.416666667,0.063492063,0.125,0,0,0,0,0,0,0,0.60515873,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,17.07,118.4861345,3.807354922,3.295836866,3.891820298,4.65396035,5.262690189,6.033086222,6.64509097,7.417580402,8.030409562,8.803424212,67.03389907,2.564949357,0,3.713572067,0,4.976733742,0,6.300785795,0,7.655864018,7.958576904,100.088815,5.267832369,12.50916243,1.787023205,2.353722019,2.353722019,0,48,4,1.515,26,1.230611111,2.12103616,2.929552435,3.507444006,4.615717238,5.388940886,0,0,0,0,82.68712511,95.45405843,78.80940754,77.95564844,52.9907806,5.475508833,0,0,0,0,283.9634567,340.8787932,373.4421494,322.2767485,439.4380452,167.5084613,0,0,0,0,9.132995542,15.455765,21.83800757,24.83366863,35.14336204,36.20540534,0,0,0,0,2.091655824,2.657436263,3.138460391,2.86015175,4.075136547,2.395992661,0,0,0,0,177.3517926,332.4642362,471.3368965,600.6746053,762.3096694,996.5102956,0,0,0,0,3.273416667,5.07003966,7.632776413,7.223760541,13.99792761,5.388940886,0,0,0,0,0.447387083,0.589369519,0.716756691,0.658597777,0.979669877,0.551827547,0,0,0,0,355.83439,167.2699736,11.24322526,140.0132906,-65.81718933,-14.85114539,215.8210994,233.0871629,26.09437066,0.717628425,0.337341446,0.022674756,0.282371575,-0.132736709,-0.029951023,176.4396569,82.94042842,5.574927169,69.42526537,-32.63530067,-7.363905996,0.276179363,0.637060715,4.577241911,19.95704248,464.5209294,31.32675112,0.936821826,0.063178174,444.2955983,21.07832058,7.630576257,560.5400313,23.67572663,8.245219299,743.2474783,27.26256551,9.058253729,1.466071549,1.466071549,367.0943366,306.9940536,100.7031294,1.195770186,3.645312104,3.048505596,3.756230434,3.285516602,6.459306918,0.965994302,3.360021677,4.829722797,2.101725945,12.87919841,3.042241378,2.214508117,3.802837146,7.969001903,3.498671088,2.673250347,1.003391444,1.694936254,4.02E-13,1.84E-47,1.62E-103,2.77E-181,9.08E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,0.298477101,4.829555905,0.129848944,5.551998594,0.329112994,0.090083741,0.372205781,0.447445512,0.97387853,0.024129653,0.007115375,0.011937575,2.83E-15,1.30E-49,1.14E-105,1.95E-183,6.40E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0.916142542,4.829449611,0.449826549,6.183564631,0.554572165,0.353472511,0.794755283,1.469626846,1.424141986,0.209822625,0.073767622,0.124398731,2.95E-14,1.35E-48,1.19E-104,2.03E-182,6.67E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,3.176697216,4.829762943,1.951815445,12.77726947,3.009705819,2.024819367,3.524945416,7.577750203,3.321110088,2.385468488,0.894037043,1.510157687,3.58E-13,1.64E-47,1.45E-103,2.46E-181,8.09E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,1.34265012,4.829423473,0.69398442,6.794772901,0.743532422,0.584680653,1.167252271,2.260111378,1.752554453,0.442716437,0.160114014,0.270210668,6.41E-14,2.93E-48,2.59E-104,4.41E-182,1.45E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,4.057735794,4.829870904,2.689927216,15.74552918,4.283438225,2.987587618,5.024435039,10.61666451,4.182389049,3.881391619,1.46319423,2.471905233,5.86E-13,2.68E-47,2.37E-103,4.03E-181,1.32E-280,0,0,0,0,0,0,0,0,0,0,0,0,0,2.084230024,4.161406128,0.946587482,12.00817543,2.641026798,1.03801432,1.888819403,4.831243806,2.6402297,0.895415995,0.327843621,0.553448573,1.31E-13,6.01E-48,5.30E-104,9.03E-182,2.97E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,3.924806068,1.232696033,0.529937156,0.690083162,0.216740079,0.522499441,0.490918306,0.476750056,5.687439257,7.571244867,15.8225693,0.535124743,1.490167803,2.930015442,0.840431796,0.216448864,0.734911411,0.21079852,0.296286177,0.203321099,0.063473948,3.986896102,3.278587162,7.79848386,0.602367117,0.563081223,3.361835515,0.945508354,0.331191239,0.724762331,0.203837706,0.382598752,0.281140806,0.180092011,4.638535107,4.605198113,10.29647212,0.587143496,0.843831569,3.858519066,1.230832302,0.526333811,0.687096755,0.219177583,0.504330786,0.483979923,0.464971085,5.615685179,7.427887604,15.543232,0.530645133,1.453281794,3.570405547,1.011055144,0.380178704,0.719601983,0.203774411,0.432081918,0.329311255,0.244425645,4.961639395,5.351650682,11.68568839,0.579402974,1.005818819,3.985298075,1.273170897,0.557199472,0.685269133,0.218920819,0.538747757,0.523543854,0.527133865,5.815668444,8.003981659,16.64686101,0.5279037,1.589425476,3.865712136,1.23474495,0.526953369,0.68694334,0.219416188,0.506166524,0.486548254,0.465277809,5.627410454,7.460871582,15.60351928,0.530415011,1.457992587 +UMLMON0050,L,4- methyl-2- pentanone,CC(C)CC(=O)C,7909,"""methylisobutylketone""","Sandia, UML",[11],C6H12O,UML,,105.5,0,-0.0497,0.00247009,32.0097,20.697102,0,0,21,7,14,0,6,0,1,0,0,0,0,0,0,0,1135.777623,1130.883694,1439.608479,952.272388,790.075108,302.76288,36.578304,0,0,3192.664609,3905.83924,4854.28677,4657.548737,4120.444613,3126.683726,1119.0148,0,0,152.653308,149.87668,276.2031,324.084496,271.694992,251.444736,241.864704,0,0,23.60118467,29.42390034,37.94565979,38.49779103,37.41995415,32.0604183,16.00606457,0,0,3535.064551,2957.579749,6033.097523,7092.116237,6470.573576,5893.952969,6657.035473,0,0,45.80555556,46.66666667,80.77777778,91.33333333,59,60,36,0,0,54.08464871,56.5441847,38.90833727,22.6731521,20.2583361,8.41008,1.016064,0,0,152.0316481,195.291962,131.1969397,110.8940175,105.652426,86.85232572,31.08374443,0,0,7.269205143,7.493834,7.464948649,7.716297524,6.966538256,6.984576,6.718464,0,0,1.123865937,1.471195017,1.025558373,0.916614072,0.959486004,0.890567175,0.444612905,0,0,168.3364072,147.8789875,163.0566898,168.8599104,165.912143,163.7209158,184.917652,0,0,2.181216931,2.333333333,2.183183183,2.174603175,1.512820513,1.666666667,1,0,0,0.167385845,-0.053514549,0.03446159,-0.110774136,0.028286874,-0.005666155,0.023513453,0,0,638.6281311,-22.56118033,123.0342012,-518.4730811,45.94086945,-482.9657385,535.7108638,0,0,965.983639,-166.0761568,-52.27177402,-239.3249831,69.70186553,-897.6975171,802.676746,0,0,1.082321143,0.050429388,0.074985796,-1.055124571,0.094134449,-0.027560816,0.321975184,0,0,4.253148428,-1.120695763,-1.142236037,0.689358614,0.319172316,-3.964193139,3.092019795,0,0,23.45618849,-6.732245357,-7.792566056,6.400530384,1.78889071,-21.41385605,16.02115213,0,0,8.026455026,-2.747417486,5.613441673,-10.15608466,3.081821618,-3.997732426,4.192743764,0,0,0.007970755,-0.002675727,9.31E-04,-0.002637479,7.25E-04,-1.57E-04,6.53E-04,0,0,30.41086339,-1.128059016,3.325248682,-12.34459717,1.177971012,-13.41571496,14.88085733,0,0,45.9992209,-8.303807841,-1.412750649,-5.698213883,1.787227321,-24.93604214,22.29657628,0,0,0.051539102,0.002521469,0.002026643,-0.025122014,0.002413704,-7.66E-04,0.008943755,0,0,0.202530878,-0.056034788,-0.030871244,0.0164133,0.008183906,-0.110116476,0.085889439,0,0,1.116961357,-0.336612268,-0.210609893,0.152393581,0.045868993,-0.594829335,0.445032004,0,0,0.382212144,-0.137370874,0.15171464,-0.241811539,0.079021067,-0.111048123,0.116465105,0,0,-0.335693119,0.116851464,-0.330894574,0.09099571,-0.019746335,0.081943492,0,0,-0.037093949,0.109344106,-0.405927218,0.038735204,-0.441148769,0.489327026,0,0,-0.180520619,-0.030712491,-0.123876313,0.038853426,-0.542097054,0.48471639,0,0,0.048923425,0.039322438,-0.487435997,0.046832477,-0.014854318,0.17353339,0,0,-0.276672816,-0.152427346,0.081040978,0.040408187,-0.543702163,0.424080712,0,0,-0.301364291,-0.188556114,0.136435858,0.041065872,-0.532542448,0.398430976,0,0,-0.35941002,0.396938303,-0.632663151,0.206746615,-0.290540541,0.30471325,0,0,1.344741527,1.417805837,2.881393909,0.072885605,0.188479742,0,0,0,1.351907573,1.036907151,1.637321092,0.777731262,1.263813301,0,0,0,1.667047457,1.093054111,1.023666877,0.956123487,1.553700666,0,0,0,0.915140581,1.481550577,3.050355972,0.089896064,0.146081103,0,0,0,1.833557922,1.217098138,0.801048661,0.970791453,1.577536111,0,0,0,1.868478074,1.264085378,0.77694382,0.956180914,1.553793985,0,0,0,1.456987475,0.903543623,2.640079103,0.170376756,0.830586684,0,0,0,24.79403391,12.52201696,18.52201696,24.97260534,3.567515049,12.52202735,0.25,5.55E-17,7.93E-18,-26.20096343,2000010.832,285715.8332,10.15606421,24.80445812,12.52686185,18.53113495,24.98250497,3.568929281,12.52687219,0.249265579,8.33E-16,1.19E-16,-24.30532828,2000010.831,285715.833,10.15606421,34.06032461,16.83066506,26.65502993,33.77532855,4.825046936,16.83066518,-0.398994478,2.22E-16,3.17E-17,-25.23055737,2000010.288,285715.7554,10.15606402,24.81539859,12.5319467,18.54070466,24.99289488,3.570413554,12.53195698,0.2484948,1.11E-16,1.59E-17,-25.7157604,2000010.83,285715.8328,10.15606421,43.88849991,21.40310282,35.29740114,43.11543258,6.159347512,21.40310283,-1.082294264,1.67E-16,2.38E-17,-25.43193482,2000010.107,285715.7296,10.15606395,25.88600966,13.02957192,19.47784443,26.00967694,3.715668134,13.02957802,0.173134186,3.89E-16,5.55E-17,-24.83882632,2000010.717,285715.8167,10.15606417,26.68886708,13.47935418,19.32922528,26.88161085,3.840230121,13.47935784,0.26984127,4.44E-16,6.34E-17,-24.74535435,2000010.916,285715.8451,10.15606424,0,11.89,15.99491614,-0.375319647,0.1261689,5.353938456,6.863208452,6,20,20,20,6,0,0,0,0,0,17.220898,3.479286242,3.112599877,2.333552793,2.333552793,1.935359717,1.162837791,0.523891879,0.083923071,1.806415989,1.667247237,1.249629723,1.249629723,0.632246734,0.440344289,0.083923071,0.083923071,3.419952489,3.150713835,2.405454588,2.405454588,1.796262707,1.269690916,0.425946291,0.270913902,1.787861337,1.58857667,1.134540686,1.134540686,0.597673242,0.290000277,0.270913902,0.270913902,3.606298612,3.318028628,2.704236987,2.704236987,2.225116397,1.702702127,1.071114653,0.943918427,1.559938968,1.351217995,0.76031856,0.76031856,0.124091057,0.218324093,0.943918427,0.943918427,3.417378665,3.178805544,2.457539916,2.457539916,1.788734022,1.346550641,0.426535677,0.399277246,1.7765856,1.537907807,1.058262671,1.058262671,0.577268753,0.188893887,0.399277246,0.399277246,3.645232044,3.398793114,2.838982085,2.838982085,2.30961604,1.891182114,1.208225193,1.207644823,1.515604221,1.275766962,0.631337262,0.631337262,0.022793335,0.40108138,1.207644823,1.207644823,3.616479109,3.214417714,2.598486893,2.598486893,2.343874385,1.382195852,0.966452287,0.5625,1.654758804,1.48511223,0.910986893,0.910986893,0.303296978,0.111501337,0.5625,0.5625,0,0,0,0,0,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.471404521,0,0,0,0.471404521,0.942809042,0.23570226,0.272165527,0.544331054,0.136082763,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,5.562948829,2.780805598,2.233592343,0.544331054,0.544331054,0,0,0,0.794706976,0.4634676,0.31908462,0.136082763,0.136082763,0,0,0,10.50759373,20.54552076,19.42745098,19.72,12.07012096,162.609612,0.500361606,0.978358131,0.925116713,0.939047619,0.574767665,7.743314856,1.8198,31.357,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,38,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.144444444,0,0,0,0,0,0,0,0,0,0,0,8.166666667,0,0,0,0,0,0.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,2.041666667,0,0,0,0,0,0.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.041666667,0,0,0,0,0,0.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.16666667,2.023809524,0.45,5.25,0.055555556,0.375,3.84675,0.958333333,1.75,3.833333333,0.958333333,1.75,3.833333333,3.33333,0.47619,0,0.02381,0.46984,0.80952,0.42174,0.46984,0.80952,0.0481,0,-0.0481,0,0.58823,0.12606,0,0.6,0.3,0,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.44037,0.92005,7.47656,1.03619,0.14803,2.64202,0.37743,3.12588,0.48386,0.06912,0.28812,0.04116,0.28812,0.04116,0,6.01,1,1,1,1,0,0,1,1.115520094,1.377890332,1.772338851,1.772338851,1.563180878,1.240103029,23.42592197,28.93569697,37.21911587,37.21911587,32.82679845,26.0421636,0.253970737,0.313704635,0.403508827,0.403508827,0.355889779,0.282334565,3.276797329,3.014427091,2.619978572,2.619978572,2.829136544,3.152214394,0.258107046,0.318813803,0.410080596,0.410080596,0.361685998,0.286932823,9.935135927,13.08357879,13.48111388,13.48111388,10.13564997,6.258715768,25.72285013,21.9461562,22.66880993,22.66880993,20.99554615,17.11861195,7,3.06122449,6,7,0,3,2.01,1.0127,1.889881575,0,4.618802154,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.332,0.33,0.234,0.024,2.672,7,4,4,0,0,0,0,0,0,28,1.945910149,2.079441542,1.609437912,1.609437912,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,2.5,0.444444444,0.5,0,0,0,0,0,0,0,0.416666667,0.063492063,0.125,0,0,0,0,0,0,0,0.60515873,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,9.23,121.1225932,3.807354922,3.295836866,3.891820298,4.65396035,5.262690189,6.033086222,6.64509097,7.417580402,8.030409562,8.803424212,67.03389907,2.564949357,0,3.713572067,0,4.976733742,0,6.300785795,0,7.655864018,7.958576904,102.1044651,4.862117384,12.50916243,1.787023205,2.759305623,2.759305623,0,48,4,1.786,26,1.2239,2.089999681,2.848856381,3.456167734,4.063840867,4.721292034,0,0,0,0,80.31687478,91.32927946,68.74203028,78.23376463,36.54382475,4.79713487,0,0,0,0,260.8372223,295.5205042,328.5905536,386.9553405,370.8038447,146.755435,0,0,0,0,9.248938802,15.73320307,22.01110443,24.1202139,28.46937969,31.71983057,0,0,0,0,1.90483678,2.253728213,2.691451825,3.444135024,3.761859577,2.099147366,0,0,0,0,179.4180724,337.34898,478.6916479,570.4494244,658.5513228,873.0502375,0,0,0,0,2.950533333,4.829111942,6.2720346,5.374187198,6.986447684,4.721292034,0,0,0,0,0.4256175,0.541063479,0.646345621,0.737148235,0.818288003,0.483460304,0,0,0,0,369.5446275,196.2494494,10.81717016,109.6845596,-58.24880901,-10.18137122,259.8600679,254.4982584,20.99854138,0.771122956,0.409510636,0.022572019,0.228877044,-0.121546873,-0.021245307,177.0965715,94.04846412,5.183903665,52.56404235,-27.9145294,-4.879210253,0.111853907,0.706711503,0.739856822,12.41795255,461.6577277,17.57145949,0.963333912,0.036666088,443.6860744,21.06385706,7.627085227,579.3045795,24.06874695,8.33621654,754.3872326,27.46611062,9.103284378,1.366949698,1.022665312,323.098012,304.5019777,116.5962803,1.061070324,2.771083358,2.611592555,3.725624216,3.119969617,6.192856038,0.984909085,3.90460794,5.922587268,4.360805707,9.773373692,7.001747037,4.726763655,4.450096484,4.676833077,4.160200603,1.849607791,0.987891991,1.07E-04,5.40E-29,6.31E-75,1.48E-142,6.74E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686927,4.823141843,0.264908257,3.447386382,0.443440197,0.93306151,1.558468412,0.37957544,0.172623473,0.117556422,0.006957804,7.55E-07,3.80E-31,4.45E-77,1.04E-144,4.75E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.057812657,4.44111614,0.753390701,4.141750086,1.110596812,1.392527603,1.905292586,1.220102309,0.672971854,0.404307205,0.072505683,7.87E-06,3.96E-30,4.63E-76,1.09E-143,4.95E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631458,6.027088838,4.371043611,9.605350412,7.325414202,4.383111979,4.186959591,4.400797784,3.805142299,1.719941989,0.880193978,9.55E-05,4.81E-29,5.62E-75,1.32E-142,6.01E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021119,4.378839822,1.094576193,4.796009335,1.523880152,1.801439647,2.215652578,1.807975352,1.109559997,0.620986286,0.157492032,1.71E-05,8.61E-30,1.01E-75,2.36E-143,1.08E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379565,6.707769822,5.982951098,11.78095594,9.885526704,6.125644815,5.522149368,5.713582924,5.600787643,2.356532958,1.440747625,1.56E-04,7.88E-29,9.21E-75,2.16E-142,9.84E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.353223703,4.762709878,2.483939326,7.798634069,4.569981612,2.400200895,3.16088505,2.879134023,1.905036531,1.015427603,0.3125752,3.39E-05,1.71E-29,2.00E-75,4.68E-143,2.13E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.514787566,1.119915952,0.999216633,0.6238618,0.198780942,0.581436721,0.417003858,0.501663686,5.633920151,8.567339508,18.13444278,0.4357927,1.500104265,2.502452909,0.681251509,0.47986957,0.683063292,0.185952709,0.29450508,0.154261727,0.115599764,3.663573989,3.232562692,7.714218238,0.524594938,0.56436657,3.04627693,0.857593272,0.716840705,0.659265856,0.18559769,0.436564605,0.244486504,0.258077005,4.620710907,5.410919668,11.90435297,0.488898783,0.939128114,3.436035585,1.102918565,0.970966476,0.623608908,0.200169592,0.555663993,0.404413259,0.47367386,5.509920626,8.196839754,17.38640042,0.435413362,1.433751111,3.261657131,0.940934586,0.820247943,0.64936517,0.187331201,0.500549575,0.294344736,0.337967541,5.022839661,6.516173215,14.05635874,0.474047755,1.132861852,3.554248199,1.150400207,1.028945372,0.619898852,0.200642084,0.594596656,0.440018263,0.531977165,5.733593778,8.929634069,18.87038778,0.429848278,1.566592084,3.479087997,1.109470767,0.983005265,0.62443651,0.199130937,0.569719847,0.409245801,0.485523761,5.571564029,8.370523851,17.73643554,0.436654765,1.464489409 +UMLMON0051,L,di-iso-propyl ether,CC(C)OC(C)C,7914,,UML,[1],C6H14O,PubChem,,98.9,0,2.2962,5.27253444,39.5198,20.74793,6,6,18,8,10,0,8,0,0,0,0,0,0,0,0,0,1164.273608,1275.183848,1618.236826,1302.451087,665.960907,176.61168,15.24096,0,0,3698.972658,4535.501378,6027.984113,5780.464594,3802.065966,1823.89884,466.2561665,0,0,127.508768,131.500448,215.362792,237.043708,251.515884,146.676096,100.77696,0,0,26.75732905,33.4466431,46.14629777,47.13658925,35.07969115,18.70191067,6.669193573,0,0,2863.531369,2545.580326,4521.165141,4932.336942,5910.353707,3438.139232,2773.76478,0,0,39.55555556,48,68.11111111,74.66666667,60.33333333,35,15,0,0,64.68186711,70.84354711,53.94122753,39.46821476,18.49891408,8.41008,1.016064,0,0,205.498481,251.9722988,200.9328038,175.1655938,105.6129435,86.85232572,31.08374443,0,0,7.083820444,7.305580444,7.178759733,7.183142667,6.986552333,6.984576,6.718464,0,0,1.48651828,1.858146839,1.538209926,1.428381492,0.974435865,0.890567175,0.444612905,0,0,159.0850761,141.4211292,150.7055047,149.4647558,164.1764919,163.7209158,184.917652,0,0,2.197530864,2.666666667,2.27037037,2.262626263,1.675925926,1.666666667,1,0,0,0.042001109,0.001537727,-0.003264416,-0.030893485,0.001555872,-0.007196137,0.017259884,0,0,538.0711511,3.27E-13,98.6463777,-408.0372896,-67.25889389,-251.0998705,358.7141007,0,0,1000.566282,-9.95E-14,183.4371517,-758.7627638,-125.0707852,-466.9309316,667.044188,0,0,0.105404444,1.52E-15,0.019324148,-0.079931704,-0.013175556,-0.049188741,0.07026963,0,0,4.472996822,3.72E-15,0.820049417,-3.39202259,-0.559124603,-2.087398517,2.981997881,0,0,24.29738973,4.40E-14,4.45452145,-18.42552054,-3.037173716,-11.33878187,16.19825982,0,0,3.901234568,-0.790123457,1.806584362,-3.522633745,0.283950617,-2.218106996,2.489711934,0,0,0.002333395,8.54E-05,-1.09E-04,-9.36E-04,4.32E-05,-3.43E-04,0.001150659,0,0,29.89284173,1.82E-14,3.28821259,-12.36476635,-1.868302608,-11.95713669,23.91427338,0,0,55.58701566,-5.53E-15,6.114571723,-22.99281102,-3.474188479,-22.23480627,44.46961253,0,0,0.005855802,8.46E-17,6.44E-04,-0.002422173,-3.66E-04,-0.002342321,0.004684642,0,0,0.248499823,2.07E-16,0.027334981,-0.102788563,-0.015531239,-0.099399929,0.198799859,0,0,1.349854985,2.44E-15,0.148484048,-0.558349107,-0.084365937,-0.539941994,1.079883988,0,0,0.216735254,-0.043895748,0.060219479,-0.106746477,0.007887517,-0.105624143,0.165980796,0,0,0.036611584,-0.046633285,-0.401203496,0.018521801,-0.146856051,0.493126509,0,0,6.07E-16,0.11,-0.413636364,-0.0625,-0.4,0.8,0,0,-9.94E-17,0.11,-0.413636364,-0.0625,-0.4,0.8,0,0,1.44E-14,0.11,-0.413636364,-0.0625,-0.4,0.8,0,0,8.31E-16,0.11,-0.413636364,-0.0625,-0.4,0.8,0,0,1.81E-15,0.11,-0.413636364,-0.0625,-0.4,0.8,0,0,-0.202531646,0.277848101,-0.492520138,0.036392405,-0.487341772,0.765822785,0,0,0.967589144,0.998047666,1.479359411,0.977165594,0.962826089,0.09505304,0,0,1.0625,0.8925,1.390909091,0.95625,1.275,0,0,0,1.0625,0.8925,1.390909091,0.95625,1.275,0,0,0,1.0625,0.8925,1.390909091,0.95625,1.275,0,0,0,1.0625,0.8925,1.390909091,0.95625,1.275,0,0,0,1.0625,0.8925,1.390909091,0.95625,1.275,0,0,0,1.291139241,0.62943038,1.540563867,0.820411392,1.452531646,0,0,0,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,25.79125018,12.71880932,18.0863666,25.77875018,3.222343772,12.71882167,-0.05,0,0,0,4000010.951,500001.3688,12.16144613,0,11.85,12.15008271,-0.21004645,0.090053194,5.924375,7.816266735,8,18,15,12,2,3,0,0,0,6,10.93207,3.800632445,2.978981869,2.762974573,2.137605186,2.024738679,0.860890511,0.441365589,0.253203243,1.989439978,1.493916978,1.314765021,0.90192186,0.783323018,0.273486817,0.083923071,0.083923071,3.811772059,3.0085188,2.794146532,2.199274719,2.082600027,0.977923291,0.545672476,0.401991169,1.957882549,1.412300855,1.22747324,0.806161123,0.682662645,0.10993525,0.270913902,0.270913902,3.862952392,3.149926772,2.944768167,2.451527919,2.324156623,1.460601384,0.963720007,0.953535121,1.873665992,1.180117151,0.977203845,0.498101568,0.369849397,0.45126013,0.943918427,0.943918427,3.820086262,3.030937363,2.817868956,2.243741401,2.124567978,1.062971497,0.621114151,0.505640746,1.938619327,1.360731895,1.172002931,0.7432712,0.617333107,6.94E-04,0.399277246,0.399277246,3.889420246,3.224500232,3.025008359,2.563088883,2.434292052,1.670619542,1.207644823,1.207644823,1.849609417,1.11246322,0.904639601,0.390633335,0.264988018,0.655413836,1.133948601,1.171910778,3.816589501,3.042359773,2.866202961,2.307372677,2.181134851,1.156292388,0.647919901,0.582515195,1.934675418,1.319153661,1.099544559,0.674207407,0.552260864,0.109889444,0.52173913,0.52173913,0,0,0,4,2,2,0,0,0,0,0,0,0.083333333,0.166666667,0,0,0,0.027777778,0.055555556,0.577350269,0,0,0,0.333333333,0,0,0,0.741581624,1.093412989,1.020220057,0.359116756,0.470227868,0.36655979,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,5.309401077,2.821367205,2.158154862,1.173575314,0.807015525,0.359116756,0.159223634,0,0.663675135,0.352670901,0.215815486,0.117357531,0.073365048,0.035911676,0.031844727,0,10.70913902,17.43918427,16.62745098,16.8,11.99277246,135.3693593,0.594952168,0.96884357,0.923747277,0.933333333,0.666265136,7.52051996,1.74264,33.722,30.91733718,41.28122386,61.83467437,7.729334296,30.91733718,0,0,0,4000010.293,500001.2866,12.16144599,54,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,4,0,0,0,0,0,0,0,0,2,0,0,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.637638889,0,0,0,0,1.637638889,0,0,0,0,0,0,0,0,4.208333333,0,0,0,0,8.449074074,0,0,0,0,2.675925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.337962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.394444444,0,0,0,0,0.394444444,0,0,0,0,0,0,0,0,2.104166667,0,0,0,0,2.074074074,0,0,0,0,1.337962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.41875,0,0,0,0,0.41875,0,0,0,0,0,0,0,0,2.104166667,0,0,0,0,2.166666667,0,0,0,0,1.337962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.33333333,1.916666667,0.41875,2.166666667,0.171875,1.337962963,4.879458333,0.328703704,0.166666667,1.314814815,0.328703704,0.166666667,1.314814815,4,0.5,0,0,0.47778,0.7,0.43333,0.43333,0.7,0.04444,0.04444,0,0,0.71429,0,0,0.25,0.25,0,10,1.25,4,0.5,6,0.75,2,0.25,0,0,4.13545,0.51693,8.42549,4.29004,0.53626,1.7065,0.21331,3.78768,2.08118,0.26015,0.12632,0.01579,0.21232,0.02654,0.333333333,8,0,0,0,0,0,0,0.25,0.99107606,2.197159723,2.530493057,2.974937501,2.974937501,2.86382639,17.83936908,39.54887502,45.54887502,53.54887502,53.54887502,51.54887502,0.237672394,0.526906293,0.606843782,0.7134271,0.7134271,0.68678127,3.178848942,1.972765278,1.639431945,1.1949875,1.1949875,1.306098611,0.225638533,0.500227901,0.576117984,0.677304761,0.677304761,0.652008066,6.714395846,15.2580338,19.2580338,20.92730881,19.70595603,19.59397548,29.66949396,25.1248139,20.55839723,18.35071112,19.55622501,19.79732779,6.125,2.52,1.8,0,6,0,2.34,0.9982,0.25,3.039342743,2.309401077,0,3.532775529,5.111544834,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,3.896,10,10,11,10,5,0,0,0,0,62,2.48490665,3.020424886,3.409496184,3.852803646,4.201890189,3.595598464,0,0,0,0,5.375856944,3.469758065,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,2,0.666666667,0.5,0.222222222,0,0,0,0,0,0,0.25,0.066666667,0.071428571,0.074074074,0,0,0,0,0,0,0.462169312,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,2.22E-16,2.78E-17,-28.83492271,4000010.414,500001.3017,12.16144602,0,115.7585009,4,3.610917913,4.343805422,5.141663557,5.888877958,6.690842277,7.44132039,8.24407127,8.995288991,9.798182591,76.15497037,2.833213344,0,4.043051268,0,5.451038454,0,6.947937069,0,8.479906607,8.727292029,106.0782503,5.893236129,15.53295821,1.941619777,0,0,0,61,7,2.866,36,1.231350208,2.153884096,3.048006828,3.801921238,5.033060421,5.75809861,0,0,0,0,96.27497539,127.0230877,127.107041,80.01405079,42.56457584,5.850596706,0,0,0,0,331.391896,461.8665856,551.8270398,436.9629257,438.9140267,178.9832656,0,0,0,0,9.024660361,15.52054458,21.92874492,26.67397594,35.16229157,38.68557822,0,0,0,0,2.402651941,3.484889382,4.45845756,3.944669592,4.496520382,2.560124949,0,0,0,0,172.3376467,320.5193794,453.1807557,615.6944526,823.3403233,1064.774075,0,0,0,0,3.384809093,5.095897651,7.009292642,6.680793934,8.409724681,5.75809861,0,0,0,0,0.494081992,0.722837911,0.93508506,0.844808092,0.980014389,0.589629298,0,0,0,0,240.7763734,99.83006889,9.720575199,83.62196423,-34.67111965,-4.403997454,157.1544091,134.5011885,14.12457265,0.742224437,0.307739151,0.029964935,0.257775563,-0.106878229,-0.013575894,78.10745525,32.38470839,3.153338435,27.12682618,-11.24725358,-1.428649453,0.150215797,0.147755314,2.884434414,2.109604246,324.3983376,0,1,0,604.8962865,24.59463938,8.457207237,702.6158965,26.50690281,8.890086578,982.3420843,31.34233693,9.940790395,1.421498417,1.334421864,399.4980654,275.8168409,130.423858,1.448417958,3.06307505,2.114772904,3.795090543,3.785389562,6.367568618,0.682143545,3.1157585,2.872001084,3.327386987,8.027448053,0.160880265,4.018613761,4.41103667,4.071777981,1.971544996,4.031685661,0.765237922,0.345905161,8.48E-18,4.01E-56,3.66E-116,6.45E-198,2.19E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,0.261593628,2.871879065,0.254838737,3.746844774,0.01395851,0.197939448,0.412570178,0.296707105,0.998920709,0.105862948,0.005389794,0.002436238,5.98E-20,2.83E-58,2.58E-118,4.54E-200,1.54E-303,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844189527,2.871887516,0.838090992,4.297649877,0.043947373,0.552512531,1.225605229,0.986851732,1.155123096,0.494931795,0.056164547,0.025387482,6.23E-19,2.95E-57,2.69E-117,4.73E-199,1.61E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,2.941028572,2.871987793,3.123750221,7.651140998,0.151885467,3.634254936,4.165143577,3.812218148,1.897026341,3.645500276,0.681813322,0.308195271,7.56E-18,3.58E-56,3.26E-116,5.74E-198,1.95E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,1.244123348,2.871898203,1.25151624,4.771653016,0.064534085,0.922198585,1.784659803,1.484495067,1.274920078,0.884428422,0.121996505,0.055145003,1.35E-18,6.40E-57,5.84E-117,1.03E-198,3.49E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,3.762704777,2.872056906,4.099004012,9.550467799,0.194184354,5.612557382,5.322728253,5.065117114,2.264457356,5.62715728,1.116027066,0.504470169,1.24E-17,5.85E-56,5.34E-116,9.40E-198,3.19E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,1.696338999,2.686835266,1.514815456,5.587864036,0.087758258,1.383638377,2.335247233,2.025209977,1.498346475,1.371763877,0.2083073,0.094159439,2.31E-18,1.09E-56,9.97E-117,1.76E-198,5.96E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,4.152900762,1.992380639,0.18582572,0.655951745,0.314697035,0.589257875,0.45351132,0.222234263,6.331107121,9.416110416,17.2847691,0.483927617,1.265003458,2.568142385,1.222708234,0.03176021,0.671829412,0.319862076,0.2253605,0.170816521,0.006491846,3.822610829,3.260487051,7.182827761,0.507744118,0.402668867,3.111844286,1.486784735,0.084618344,0.664462934,0.31746876,0.330868612,0.252560869,0.046081815,4.683247364,5.015770952,10.09051715,0.496694402,0.629511296,4.103725219,1.968499074,0.181045126,0.656252745,0.31479518,0.575386083,0.442705644,0.21094687,6.253269419,9.177525905,16.89331031,0.484379117,1.229038598,3.386940511,1.62039151,0.111362403,0.661680544,0.316563439,0.391948137,0.29998696,0.079813684,5.118694425,6.045798177,11.77566836,0.492520816,0.77174878,4.31105839,2.069187744,0.201200966,0.65503199,0.314397079,0.63499245,0.489147434,0.260530971,6.5814471,10.20410087,18.58033889,0.482547985,1.384670855,4.102520715,1.969487289,0.180718805,0.656117057,0.314980544,0.57504854,0.443150533,0.210187127,6.252726809,9.177188431,16.89009832,0.484175586,1.228386199 +UMLMON0052,L,m-xylene,CC1=CC(=CC=C1)C,7929,Sandia values from independent api report ,Sandia,,C8H10,PubChem,,102.8,0,2.7426,7.52185476,43.8018,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1921.920348,1661.589729,1141.170918,363.21264,36.578304,0,0,4184.657049,5188.491512,7083.005766,7253.750607,5603.328987,3442.098491,1119.0148,0,0,148.486212,153.276228,257.716848,281.393604,335.801112,213.52896,241.864704,0,0,30.43545486,38.46263172,54.17148079,58.5064293,49.45470151,33.4063293,16.00606457,0,0,3360.161029,2978.619777,5482.629357,5734.825636,7859.610331,4593.676431,6657.035473,0,0,44.33333333,54,78.33333333,90,80,60,36,0,0,62.40808843,68.74581643,53.38667633,42.60486485,23.77439412,12.107088,1.016064,0,0,199.2693833,247.0710244,196.7501602,185.9936053,116.7360206,114.7366164,31.08374443,0,0,7.070772,7.298868,7.158801333,7.215220615,6.9958565,7.117632,6.718464,0,0,1.449307374,1.831553891,1.504763355,1.500164854,1.030306281,1.11354431,0.444612905,0,0,160.0076681,141.839037,152.2952599,147.0468112,163.7418819,153.1225477,184.917652,0,0,2.111111111,2.571428571,2.175925926,2.307692308,1.666666667,2,1,0,0,0.040155602,0.002342023,0.005962364,-0.043375966,0.019847947,-0.041208049,0.03635388,0,0,622.6251891,3.91E-13,229.7783436,-533.6787336,81.53425096,-889.4645559,800.5181003,0,0,1157.798126,-1.14E-13,427.2826418,-992.3983939,151.6164213,-1653.997323,1488.597591,0,0,0.121968,1.86E-15,0.045012,-0.104544,0.015972,-0.17424,0.156816,0,0,5.175896322,9.60E-15,1.910152214,-4.436482562,0.677795947,-7.394137603,6.654723843,0,0,28.11555097,4.40E-14,10.37597714,-24.09904369,3.681798341,-40.16507281,36.14856553,0,0,4.285714286,-1.238095238,3.367346939,-5.482993197,3.06122449,-7.074829932,5.224489796,0,0,0.001912172,1.12E-04,1.66E-04,-0.001112204,4.13E-04,-0.001373602,0.00100983,0,0,29.64881853,1.86E-14,6.382731767,-13.68407009,1.698630228,-29.64881853,22.2366139,0,0,55.13324411,-5.41E-15,11.86896227,-25.44611267,3.158675444,-55.13324411,41.34993308,0,0,0.005808,8.88E-17,0.001250333,-0.002680615,3.33E-04,-0.005808,0.004356,0,0,0.246471253,4.57E-16,0.053059784,-0.113755963,0.014120749,-0.246471253,0.18485344,0,0,1.33883576,2.09E-15,0.288221587,-0.617924197,0.076704132,-1.33883576,1.00412682,0,0,0.204081633,-0.058956916,0.093537415,-0.140589569,0.06377551,-0.235827664,0.145124717,0,0,0.058323684,0.086614207,-0.581644603,0.216245713,-0.718346452,0.52810639,0,0,6.28E-16,0.215277778,-0.461538462,0.057291667,-1,0.75,0,0,-9.82E-17,0.215277778,-0.461538462,0.057291667,-1,0.75,0,0,1.53E-14,0.215277778,-0.461538462,0.057291667,-1,0.75,0,0,1.86E-15,0.215277778,-0.461538462,0.057291667,-1,0.75,0,0,1.56E-15,0.215277778,-0.461538462,0.057291667,-1,0.75,0,0,-0.288888889,0.458333333,-0.688888889,0.3125,-1.155555556,0.711111111,0,0,0.988654709,0.909607297,1.742568162,0.875330631,1.461474012,0.074226096,0,0,1.111111111,0.810185185,1.495726496,0.850694444,1.944444444,0,0,0,1.111111111,0.810185185,1.495726496,0.850694444,1.944444444,0,0,0,1.111111111,0.810185185,1.495726496,0.850694444,1.944444444,0,0,0,1.111111111,0.810185185,1.495726496,0.850694444,1.944444444,0,0,0,1.111111111,0.810185185,1.495726496,0.850694444,1.944444444,0,0,0,1.444444444,0.432098765,1.854700855,0.453703704,2.333333333,0,0,0,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,31.84632567,15.8898295,21.13524663,31.79447381,3.532719313,15.88983002,-0.066666667,3.33E-16,3.70E-17,-32.07436945,42.05922378,4.673247086,3.365170843,0,11.89,12.11013444,-0.154940595,0.065427332,6.0764172,8.135950041,9,21,18,15,3,3,0,0,0,6,13.118484,3.831659838,2.978981869,2.978981869,2.23863706,2.024738679,2.024738679,0.441365589,0.441365589,2.007621523,1.493916978,1.493916978,1.114523793,0.783323018,0.783323018,0.083923071,0.083923071,3.841767027,3.0085188,3.0085188,2.307509994,2.082600027,2.082600027,0.545672476,0.545672476,1.977512166,1.412300855,1.412300855,1.005637663,0.682662645,0.682662645,0.270913902,0.270913902,3.888629994,3.149926772,3.149926772,2.594323264,2.324156623,2.324156623,0.963720007,0.963720007,1.898531894,1.180117151,1.180117151,0.648152785,0.369849397,0.369849397,0.943918427,0.943918427,3.849331676,3.030937363,3.030937363,2.357458752,2.124567978,2.124567978,0.621114151,0.621114151,1.959268094,1.360731895,1.360731895,0.93313087,0.617333107,0.617333107,0.399277246,0.399277246,3.913152,3.224500232,3.224500232,2.723590331,2.434292052,2.434292052,1.207644823,1.207644823,1.876343207,1.11246322,1.11246322,0.52431895,0.264988018,0.264988018,1.133948601,1.133948601,3.838314638,3.055466305,3.055466305,2.442311884,2.193688616,2.193688616,0.657550841,0.657550841,1.960646187,1.3069968,1.3069968,0.839638827,0.540885432,0.540885432,0.529411765,0.529411765,0,0,0,3,3,3,0,0,0,0,0,0,0.068041382,0.204124145,0,0,0,0.024056261,0.072168784,0.866025404,0,0,0,0.5,0,0,0,1,1.995781916,1.747400241,0.5,0.913675135,0.683012702,6.853371151,4.18154055,4.022621928,2.414213562,2.349335306,0.98559856,0.696923425,0,0.761485683,0.464615617,0.335218494,0.201184464,0.156622354,0.082133213,0.077435936,0,6.232050808,3.232050808,2.665063509,1.366025404,1.202350269,0.394337567,0.269337567,0,0.69245009,0.359116756,0.222088626,0.11383545,0.080156685,0.032861464,0.029926396,0,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,1.77066,37.362,36.23240609,46.59629277,72.46481219,8.051645799,36.23240609,0,0,0,50.96615924,5.662906583,3.538045681,63,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.153333333,0,0,0,0,1.153333333,0,0,0,0,0,0,0,0,6.375,0,0,0,0,6.5625,0,0,0,0,4.0625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.354166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384444444,0,0,0,0,0.384444444,0,0,0,0,0,0,0,0,2.125,0,0,0,0,2.1875,0,0,0,0,1.354166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.1875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384444444,0,0,0,0,0.384444444,0,0,0,0,0,0,0,0,2.125,0,0,0,0,2.1875,0,0,0,0,1.354166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17,1.888888889,0.384444444,2.1875,0.15625,1.354166667,5.5286875,0.3125,0.1875,1.875,0.3125,0.1875,1.875,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.33333,0.33333,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.71523,0.63503,10.39611,4.68088,0.5201,2.05974,0.22886,4.18152,2.12178,0.23575,0.23248,0.02583,0.31848,0.03539,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.128085279,2.128085279,2.128085279,2.128085279,2.128085279,20.68979086,44.68979086,44.68979086,44.68979086,44.68979086,44.68979086,0.224307135,0.484501705,0.484501705,0.484501705,0.484501705,0.484501705,3.407089287,2.264232144,2.264232144,2.264232144,2.264232144,2.264232144,0.214882485,0.464144533,0.464144533,0.464144533,0.464144533,0.464144533,6.75154531,15.36999611,15.36999611,15.36999611,15.36999611,15.36999611,33.82580122,27.57483228,27.57483228,27.57483228,27.57483228,27.57483228,7.111111111,2.722222222,2,0,6,0,2.45,1.1391,0.75,3.571652367,4.326748711,0,1.5,6.240251469,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.1,0.505,0.68,4.372,12,12,15,12,9,0,0,0,0,78,2.564949357,3.157000421,3.548179572,4.066887716,4.342993404,4.123093976,0,0,0,0,5.606950304,3.478365385,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,4,0.333333333,3,0.666666667,0.9375,0.333333333,0,0,0,0,0,0,0.333333333,0.055555556,0.104166667,0.055555556,0,0,0,0,0,0,0.548611111,19.13022188,25.95864901,38.26044376,4.251160418,19.1302219,4.44E-16,4.93E-17,-31.81545559,34.85310704,3.872567448,3.196028059,0,133.0544855,4.169925001,3.761200116,4.510859507,5.351858133,6.11146734,6.957497371,7.719129841,8.566173814,9.328212293,10.17545936,80.48185778,2.944438979,0,4.204692619,0,5.645446898,0,7.181591945,0,8.760766624,8.995660899,120.0939004,5.718757161,17.38171618,1.931301798,0,0,0,84,9,3.258,42,1.233300178,2.143634968,3.067216359,3.776833311,5.127024075,5.718497301,0,0,0,0,94.09564805,126.6104696,139.9322291,105.4882059,62.07333166,5.810359242,0,0,0,0,326.4685465,454.7366992,592.1040208,491.8880052,588.2573945,177.7523086,0,0,0,0,9.031490446,15.41341623,22.16025386,26.56261715,36.49227062,38.41951825,0,0,0,0,2.376896686,3.421507076,4.718641822,4.22132494,5.709168486,2.542517696,0,0,0,0,173.0750978,321.7128589,449.180834,607.9603435,785.0629886,1057.451094,0,0,0,0,3.265286308,4.896798955,7.171554173,6.688641514,10.25404815,5.718497301,0,0,0,0,0.489174207,0.709566469,0.986985678,0.897048767,1.230485778,0.585574124,0,0,0,0,274.1143001,119.6860576,9.372117195,99.37773861,-43.39113188,-4.660144438,174.7365615,163.0771895,14.03226163,0.733922739,0.320451429,0.025093218,0.266077261,-0.116176859,-0.012477226,102.3795088,44.70178966,3.500411158,37.1167942,-16.20624231,-1.740526847,0.142643722,0.128028164,2.739035892,1.538051605,373.4920387,0,1,0,669.1530565,25.8679929,8.746651482,786.0344264,28.03630551,9.22884154,1134.665132,33.68479081,10.43011835,1.16066906,1.059964004,538.2183018,282.8358901,265.4963621,1.902934955,2.027215354,1.065309851,4.23758103,4.355172234,6.54925274,0.50378731,3.591901278,3.871162657,3.71050078,8.942055074,0.172544558,6.025544479,6.741029973,3.856699808,8.593259789,3.704356744,5.455509777,2.556234124,1.50E-09,5.54E-40,3.94E-92,5.41E-166,1.43E-261,0,0,0,0,0,0,0,0,0,0,0,0,0,0.301552992,3.870979963,0.274666938,5.369459264,0.014936667,0.296763751,0.643055458,0.280006755,2.345294522,0.151412689,0.044659248,0.018003766,1.06E-11,3.90E-42,2.77E-94,3.81E-168,1.01E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,0.973183225,3.870992572,0.91021939,5.961449222,0.047105475,0.769769305,1.884627296,0.931978508,3.435930635,0.593856828,0.416424133,0.187613122,1.10E-10,4.06E-41,2.89E-93,3.97E-167,1.05E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390468513,3.871142741,3.47689266,8.67478775,0.162895094,5.428483271,6.366600292,3.610105358,8.145420685,3.386807209,4.865054605,2.277558583,1.34E-09,4.93E-40,3.51E-92,4.82E-166,1.28E-261,0,0,0,0,0,0,0,0,0,0,0,0,0,1.434236324,3.871008556,1.36603603,6.40858503,0.069189042,1.301236704,2.737864155,1.402728426,4.239461407,0.981546319,0.889184373,0.407520771,2.39E-10,8.83E-41,6.28E-93,8.62E-167,2.28E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,4.337716138,3.871246314,4.601866512,9.986756879,0.208273113,8.515904588,8.128641743,4.801101969,10.32559865,4.993688609,7.936009344,3.72802723,2.19E-09,8.07E-40,5.75E-92,7.89E-166,2.09E-261,0,0,0,0,0,0,0,0,0,0,0,0,0,2.013498025,3.616537559,1.643321722,7.497545882,0.096902338,2.020948544,3.200401487,1.753694292,5.49480314,1.495126495,1.55178584,0.716453163,4.21E-10,1.55E-40,1.10E-92,1.52E-166,4.01E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,3.679997233,3.47222726,0.238917897,0.497892888,0.469782217,0.536899752,0.515760681,0.285728349,7.391142389,14.48658114,24.93056546,0.451512658,1.338388783,2.312861851,2.168451909,0.042080398,0.511311146,0.479386017,0.212133953,0.201296399,0.008863711,4.523394158,5.203905164,9.938346394,0.486045745,0.422294063,2.791198338,2.624652788,0.110952785,0.505029377,0.474895225,0.308917614,0.294817858,0.061621511,5.526803911,7.926830268,14.26646613,0.469886904,0.665356982,3.63879206,3.43293517,0.232985508,0.498143074,0.469961694,0.524946495,0.504162027,0.271715105,7.304712738,14.1393472,24.35445369,0.452157152,1.300823626,3.029468599,2.851881321,0.145258544,0.502682166,0.473214966,0.363893495,0.348031781,0.105618333,6.026608464,9.494001234,16.77559775,0.463845699,0.817543609,3.812009072,3.598109055,0.257923825,0.497129397,0.469234399,0.576101298,0.55380761,0.332995904,7.668041953,15.62727037,26.8330018,0.449545694,1.462904812,3.64022838,3.434249532,0.232685385,0.498172578,0.469983959,0.525360424,0.504546525,0.271015541,7.307163297,14.14758023,24.36364884,0.452234805,1.30092249 +UMLMON0053,L,"1,3,5-trimethylbenzene",CC1=CC(=CC(=C1)C)C,7947,Sandia values for MON averaged between sources including independent api report and biocompoundML source where the MON was 120 (from co-optima database). Therefore I think we should go with UML values since they are from reliable source,"Sandia, UML",[1],C9H12,PubChem,,112,0,-0.2194,0.04813636,26.1737,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1477.025768,1132.116893,431.027017,82.888848,6.096384,0,0,3399.790734,4570.930941,6619.957195,6504.082355,3827.665667,1257.525459,186.5024666,0,0,146.842108,152.43046,299.130272,419.991476,372.001636,183.394368,40.310784,0,0,25.74688067,35.11192034,54.8202553,59.80401473,40.40094347,15.34920546,2.667677429,0,0,3476.407621,3031.276161,6474.882305,9786.999304,9259.732723,4833.801083,1109.505912,0,0,31.02777778,38,65.33333333,84.83333333,68.16666667,30.5,6,0,0,48.76541633,56.15943233,35.16728019,18.86861488,7.981981796,3.069957333,1.016064,0,0,161.8947969,217.6633782,157.6180285,108.4013726,70.88269754,46.57501701,31.08374443,0,0,6.992481333,7.258593333,7.122149333,6.999857933,6.888919185,6.792384,6.718464,0,0,1.226041937,1.671996207,1.305244174,0.996733579,0.74816562,0.568489091,0.444612905,0,0,165.54322,144.3464838,154.1638644,163.1166551,171.4765319,179.0296697,184.917652,0,0,1.477513228,1.80952381,1.555555556,1.413888889,1.262345679,1.12962963,1,0,0,0.028633867,-0.001407354,-0.00797372,-0.012604541,-0.003573366,0.007573217,0.00366883,0,0,564.9747087,5.76E-13,-161.4213453,-282.4873543,-80.71067267,161.4213453,80.71067267,0,0,1050.594596,0,-300.1698846,-525.297298,-150.0849423,300.1698846,150.0849423,0,0,0.110674667,1.58E-15,-0.031621333,-0.055337333,-0.015810667,0.031621333,0.015810667,0,0,4.696646663,7.55E-15,-1.341899046,-2.348323331,-0.670949523,1.341899046,0.670949523,0,0,25.51225921,2.26E-14,-7.289216918,-12.75612961,-3.644608459,7.289216918,3.644608459,0,0,1.661375661,-0.432539683,-0.100529101,-0.56292517,-0.195389267,0.260770975,0.199924414,0,0,0.001363517,-6.70E-05,-1.90E-04,-2.10E-04,-6.62E-05,2.80E-04,6.11E-04,0,0,26.90355756,2.74E-14,-3.843365365,-4.708122572,-1.494642086,5.978568346,13.45177878,0,0,50.0283141,0,-7.146902014,-8.754954967,-2.779350783,11.11740313,25.01415705,0,0,0.005270222,7.54E-17,-7.53E-04,-9.22E-04,-2.93E-04,0.00117116,0.002635111,0,0,0.223649841,3.60E-16,-0.031949977,-0.039138722,-0.012424991,0.049699965,0.111824921,0,0,1.214869486,1.08E-15,-0.173552784,-0.21260216,-0.067492749,0.269970997,0.607434743,0,0,0.079113127,-0.020597128,-0.00239355,-0.009382086,-0.00361832,0.009658184,0.033320736,0,0,-0.049149977,-0.139235826,-0.154068928,-0.048531417,0.205710238,0.448451667,0,0,1.02E-15,-0.142857143,-0.175,-0.055555556,0.222222222,0.5,0,0,0,-0.142857143,-0.175,-0.055555556,0.222222222,0.5,0,0,1.43E-14,-0.142857143,-0.175,-0.055555556,0.222222222,0.5,0,0,1.61E-15,-0.142857143,-0.175,-0.055555556,0.222222222,0.5,0,0,8.88E-16,-0.142857143,-0.175,-0.055555556,0.222222222,0.5,0,0,-0.260350318,-0.030254777,-0.118590764,-0.045736023,0.122080679,0.421178344,0,0,1.477163724,1.274217785,1.13324702,0.849142722,0.429331252,0.003657132,0,0,1.428571429,1.326530612,1.142857143,0.833333333,0.396825397,0,0,0,1.428571429,1.326530612,1.142857143,0.833333333,0.396825397,0,0,0,1.428571429,1.326530612,1.142857143,0.833333333,0.396825397,0,0,0,1.428571429,1.326530612,1.142857143,0.833333333,0.396825397,0,0,0,1.428571429,1.326530612,1.142857143,0.833333333,0.396825397,0,0,0,1.751592357,0.979299363,1.100716561,0.916489738,0.613057325,0,0,0,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,26.751821,13.22427373,19.43909809,26.71185501,3.815979287,13.22428042,-0.093253968,0.001166081,1.67E-04,-4.727874868,26.92918315,3.847026164,2.305247402,0,11.9,12.10010405,-0.151390191,0.048727336,5.84037006,7.811257143,7,21,21,21,7,0,0,0,0,0,15.304898,3.619709833,2.947870273,2.750129472,2.19778794,1.456797487,1.282157777,0.909056138,0.083923071,1.992782358,1.526948,1.372874417,1.089355281,0.666206401,0.569924766,0.357956204,0.083923071,3.644947749,2.986968346,2.792995694,2.266448281,1.556142907,1.390133583,1.040076644,0.270913902,1.938180965,1.443918105,1.285229005,0.975931258,0.522081792,0.419185133,0.196789634,0.270913902,3.755653422,3.160130501,2.981537655,2.554776995,1.9628467,1.827874832,1.548123573,0.943918427,1.777717199,1.194734652,1.018928274,0.609339375,0.037619229,0.092397527,0.362426509,0.943918427,3.663523346,3.015874385,2.824624264,2.316381118,1.62787375,1.467847241,1.132774638,0.399277246,1.903434383,1.390527877,1.228596505,0.900910738,0.425347018,0.317667215,0.087474289,0.399277246,3.809466638,3.244459316,3.072480534,2.686061155,2.141548494,2.018054307,1.760298992,1.207644823,1.727635969,1.116178837,0.933903671,0.484038304,0.135164289,0.2769767,0.570760117,1.207644823,3.681198327,3.12201655,2.868984444,2.470134731,1.76184368,1.610949006,1.296202187,0.646153846,1.867136902,1.270256483,1.146459064,0.71677011,0.253599829,0.137317573,0.103287959,0.646153846,0,0,0,0,0,1,5,1,0,0,0,0,0.102062073,0.102062073,0,0,0,0.102062073,0.102062073,0.288675135,0,0,0,0.288675135,0,0,0,0.40824829,0.433012702,0.40824829,0.40824829,0.433012702,0.40824829,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.5866,32.249,25.81164286,34.91599912,51.62328572,7.374755103,25.81164286,0.063309915,0.009044274,-1.931799329,26.80913824,3.829876892,2.302119966,45,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,1,0,5,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,2.360277778,0,7.437175926,0,0,0,1.03587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.360277778,0,1.486111111,0,0,0,1.03587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.360277778,0,1.490416667,0,0,0,1.03587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.83333333,1.547619048,0.2,2.360277778,0.2,1.03587963,5.044607639,0.297453704,0.360277778,0.720555556,0.297453704,0.360277778,0.720555556,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.14286,0.14286,0,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.62679,0.94668,6.62679,0,0,3.39384,0.48483,3.39384,0,0,0.02016,0.00288,0.10616,0.01517,0.285714286,7,0,0,0,0,0,0,1,0.918295834,1.301240785,2.262362377,2.629481708,2.41566147,2.297079328,19.28421252,27.3260565,47.50960993,55.21911587,50.72889087,48.23866588,0.209068641,0.296253813,0.515072605,0.598654754,0.549974248,0.522976622,3.474021589,3.091076637,2.129955045,1.762835715,1.976655953,2.095238095,0.209068641,0.296253813,0.515072605,0.598654754,0.549974248,0.522976622,6.73287657,11.32821599,14.83801525,14.16113349,13.29390227,13.17439222,27.64912502,22.75804088,20.11514464,21.30613189,22.81194905,22.78031708,5.142857143,2.34375,1.5,0,0,0,2.23,0.9863,0,1.850535862,1,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,3.395,8,8,8,8,2,0,0,0,0,48,2.079441542,2.197224577,2.197224577,2.197224577,2.197224577,1.098612289,0,0,0,0,3.891820298,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,0,3,4,0.333333333,1,0.444444444,0.1875,0.111111111,0,0,0,0,0,0,0.142857143,0.055555556,0.0375,0.111111111,0,0,0,0,0,0,0.34702381,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,0,117.2718924,3.807354922,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,71.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.388905171,98.10955045,4.671883355,13.67682532,1.953832189,0,0,0,42,5,3.922,30,1.220523193,2.086009777,2.795112973,3.520164747,4.282982798,5.172514281,0,0,0,0,78.01718708,81.31531848,56.59167441,30.17524231,13.80076908,5.255605551,0,0,0,0,287.7972294,350.2878403,318.299832,258.2859895,204.3991055,160.781112,0,0,0,0,8.889594735,14.90063589,19.61743961,24.28142782,29.11513643,34.75135099,0,0,0,0,2.16080321,2.850202542,2.892515813,2.695811098,2.474164722,2.2997666,0,0,0,0,174.2909705,318.5132428,451.9308122,601.2064839,764.9113221,956.489196,0,0,0,0,2.257719183,3.318228363,4.028833779,4.510597636,4.884513348,5.172514281,0,0,0,0,0.447249296,0.599087964,0.619984824,0.591387275,0.555805592,0.529665462,0,0,0,0,314.1330854,114.3742458,8.142541554,80.35130448,-29.255498,-4.270193301,233.7817809,143.6297439,12.41273486,0.796313095,0.289933515,0.020640973,0.203686905,-0.074161358,-0.010824746,123.9205985,45.11885459,3.212105537,31.69733532,-11.54083728,-1.684524599,0.081388859,0.171156848,1.42058525,1.421020146,394.4843899,0,1,0,496.6404669,22.28543172,7.919188876,632.2589721,25.14476033,8.582852854,790.8053427,28.1212614,9.247475689,1.427238702,1.217989365,271.952974,197.3815574,114.0262834,1.377803365,2.385002527,1.731018074,3.422933651,3.651473827,5.904977379,0.617149036,3.905229045,4.796804889,7.969768476,9.568090312,15.54889678,6.287160949,7.273722887,3.307207976,4.049061661,0.001465238,0.405380218,4.20E-16,8.41E-53,3.25E-111,2.42E-191,3.47E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.328306635,4.623824884,0.556474761,3.180278409,0.887608374,1.147577891,0.793745194,0.096819953,0.106819862,1.03E-05,0.002855126,2.96E-18,5.92E-55,2.29E-113,1.70E-193,2.44E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.058432573,4.635384542,1.846003496,3.788619827,3.120744162,2.047871652,1.332886012,0.431635473,0.498351173,1.08E-04,0.029752614,3.09E-17,6.17E-54,2.38E-112,1.77E-192,2.54E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.686252354,4.777813479,7.436800468,8.930971495,14.38264108,5.919877179,6.599825449,2.997290473,3.661556605,0.001305501,0.361186476,3.75E-16,7.49E-53,2.89E-111,2.15E-191,3.09E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559641195,4.650371529,2.797640528,4.412749493,4.879246726,2.710078294,1.935644696,0.756636873,0.889802172,2.34E-04,0.064626654,6.70E-17,1.34E-53,5.17E-112,3.85E-192,5.53E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.716001246,4.876661026,10.03295697,12.20643893,20.17210776,7.706818676,10.08359911,4.583427298,5.649776527,0.002136912,0.59120895,6.13E-16,1.23E-52,4.73E-111,3.52E-191,5.06E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.601157949,4.481400369,4.760347268,6.279492012,8.680432559,4.333192323,3.937932429,1.739735242,2.084171635,6.12E-04,0.169252238,1.76E-16,3.51E-53,1.35E-111,1.01E-191,1.45E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.492100299,1.499463431,0.652442375,0.536627266,0.322881451,0.490173101,0.510450923,0.426935834,4.644006105,6.341078585,13.42314001,0.304940899,1.427559857,1.814781084,0.961300188,0.201585061,0.609464218,0.322836772,0.259632649,0.209085157,0.040822809,2.977666333,2.30416591,5.633507339,0.414196327,0.509540615,2.083545391,1.17518317,0.380753843,0.572483985,0.322898434,0.342319875,0.312954545,0.145579104,3.639482403,3.689320898,8.261097161,0.358725978,0.800853524,2.475309084,1.486152987,0.641290156,0.537788906,0.322883552,0.483568015,0.501394605,0.412490795,4.602752227,6.219134619,13.18099324,0.306683359,1.397453415,2.203455229,1.270454847,0.460570989,0.560037065,0.322902773,0.382937441,0.365972608,0.212949252,3.934481065,4.399372577,9.623171637,0.340055598,0.961859301,2.544675452,1.541131368,0.687354163,0.533121649,0.322874375,0.511147934,0.539327428,0.473754233,4.773160982,6.730075484,14.19881896,0.299682473,1.524229594,2.485740309,1.48801285,0.643571906,0.538350728,0.322267293,0.487582727,0.502657118,0.415300208,4.617325064,6.256209415,13.25398695,0.307526092,1.405540053 +UMLMON0054,L,Methylcyclohexane,CC1CCCCC1,7962,[9] has RON of 73.8,"Sandia, UML",[9],C7H14,PubChem,,71.05,0,-1.0582,1.11978724,23.1792,18.02993,0,0,17,7,10,0,6,0,1,0,0,0,0,0,0,0,1131.713367,1178.819595,1497.134784,1140.027093,393.999861,40.382496,0,0,0,3068.329632,3991.197076,5596.711464,4996.13647,2275.490099,412.6972167,0,0,0,125.779452,126.4533,241.255824,330.422052,226.5903,72.690048,0,0,0,21.82273305,29.2081831,43.90603072,42.56914462,21.72766152,4.626439211,0,0,0,2795.393943,2445.334942,5054.492008,7448.940219,5383.988345,1849.70977,0,0,0,73.02777778,40.66666667,70.66666667,102.6666667,69.83333333,22,0,0,0,66.57137453,69.34232912,45.36772073,25.3339354,12.70967294,4.0382496,0,0,0,180.4899783,234.7762986,169.5973171,111.0252549,73.40290643,41.26972167,0,0,0,7.398791294,7.438429412,7.310782545,7.342712267,7.309364516,7.2690048,0,0,0,1.283690179,1.718128418,1.33048578,0.945980992,0.700892307,0.462643921,0,0,0,164.4349378,143.8432319,153.1664245,165.5320049,173.6770434,184.970977,0,0,0,4.295751634,2.392156863,2.141414141,2.281481481,2.252688172,2.2,0,0,0,0.123334468,-0.040764581,-0.007829247,-0.004284787,-3.18E-04,-0.008470167,0,0,0,565.0991891,3.34E-13,-119.9209141,-181.7805977,-65.05147217,84.20338949,0,0,0,855.8123209,-1.56E-13,-334.5568135,-289.6768837,-37.33973879,233.6672756,0,0,0,1.038128471,4.94E-16,0.059946145,-0.235750422,-0.231604152,-0.111655806,0,0,0,3.828753554,6.11E-16,-1.811359666,-1.274544484,-0.041206844,1.212734218,0,0,0,21.25720683,4.71E-14,-10.35895071,-6.985079633,-0.107861082,6.82328801,0,0,0,32.75163399,0.903594771,1.085063437,-7.492887351,-7.308535179,-3.563052672,0,0,0,0.007254969,-0.002397917,-2.37E-04,-9.52E-05,-1.03E-05,-8.47E-04,0,0,0,33.24112877,1.96E-14,-3.633967094,-4.039568839,-2.098434586,8.420338949,0,0,0,50.34190123,-9.20E-15,-10.13808526,-6.437264083,-1.204507703,23.36672756,0,0,0,0.061066381,2.91E-17,0.00181655,-0.005238898,-0.007471102,-0.011165581,0,0,0,0.225220797,3.59E-17,-0.054889687,-0.028323211,-0.001329253,0.121273422,0,0,0,1.250423931,2.77E-15,-0.313907597,-0.155223992,-0.00347939,0.682328801,0,0,0,1.926566705,0.053152634,0.03288071,-0.166508608,-0.235759199,-0.356305267,0,0,0,-0.33052059,-0.032701713,-0.013124453,-0.001415945,-0.116749876,0,0,0,5.91E-16,-0.109321411,-0.121523215,-0.063127657,0.253310861,0,0,0,-1.83E-16,-0.201384632,-0.127870897,-0.023926544,0.464160609,0,0,0,4.76E-16,0.029747135,-0.085790221,-0.122343941,-0.182843334,0,0,0,1.59E-16,-0.243715001,-0.125757528,-0.005902,0.538464579,0,0,0,2.21E-15,-0.251040939,-0.124137093,-0.002782568,0.545677977,0,0,0,0.027589304,0.017066998,-0.086427637,-0.122372716,-0.184943125,0,0,0,0.997416828,0.727708198,1.030324585,1.124651488,1.380074093,0,0,0,1.021425459,1.052377745,1.054540153,0.970647551,0.636292064,0,0,0,1.256857651,1.294944246,1.018963733,0.789896384,0.156010393,0,0,0,0.481238863,0.495821859,1.13616835,1.385371454,1.73827272,0,0,0,1.329588515,1.369879076,1.007973291,0.73405785,0.007639429,0,0,0,1.333319149,1.37372276,1.007409551,0.731193686,2.89E-05,0,0,0,0.445420076,0.490992544,1.14155081,1.395755145,1.75869088,0,0,0,21.80340357,11.02670178,16.34240115,21.981975,3.140282142,11.02676795,0.25,0.10458354,0.014940506,-1.580438369,23.46090794,3.351558276,2.208734881,21.80522313,11.02724435,16.3432566,21.98326997,3.140467139,11.02731048,0.249265579,0.104534598,0.014933514,-1.580766024,23.46326972,3.351895674,2.208805345,23.42348259,11.51224405,17.16176273,23.36648338,3.338069054,11.51228109,-0.398994478,0.056286734,0.008040962,-2.014107481,26.55099267,3.792998953,2.295346995,21.80713281,11.0278138,16.34415456,21.98462909,3.140661299,11.02787988,0.2484948,0.10448322,0.014926174,-1.581110156,23.46575047,3.352250066,2.208879352,25.150007,12.03385637,18.18500505,24.99539353,3.570770505,12.03387743,-1.082294264,0.004141584,5.92E-04,-3.840673911,34.26687858,4.895268368,2.473925474,21.99403025,11.08358222,16.43274715,22.11769753,3.159671075,11.08364375,0.173134186,0.099392107,0.014198872,-1.616077801,23.71875375,3.388393393,2.216386223,21.612053,10.66522993,15.847944,21.65813779,3.094019684,10.66534547,0.772486772,0.162326877,0.023189554,-1.27270025,21.31516511,3.045023588,2.141593158,0,11.9,15.99491614,-0.299189275,0.132702954,4.199872577,6.782358849,7,17,16,16,6,1,1,0,0,1,11.89007,3.64959247,2.939260656,2.750129472,1.818050546,1.456797487,1.156417679,0.083923071,0.083923071,1.944351963,1.372874417,1.280702177,0.666206401,0.57012495,0.184344076,0.083923071,0.083923071,3.630350399,2.868845624,2.792995694,1.690088443,1.556142907,1.237330611,0.270913902,0.270913902,1.909960999,1.285229005,1.259112722,0.522081792,0.464836966,0.265163579,0.270913902,0.270913902,3.755273729,3.068358397,2.981537655,2.094646719,1.9628467,1.730552591,0.943918427,0.943918427,1.744271951,1.018928274,1.009295574,0.037619229,0.004763632,0.262390518,0.943918427,0.943918427,3.636843952,2.862451789,2.824624264,1.67775845,1.62787375,1.2984514,0.399277246,0.399277246,1.889994059,1.250198548,1.228596505,0.434477952,0.425347018,0.222763775,0.399277246,0.399277246,3.793504729,3.10578987,3.072480534,2.172636448,2.141548494,1.909179634,1.207644823,1.207644823,1.704340188,0.96530754,0.933903671,0.103341467,0.135164289,0.417516121,1.207644823,1.207644823,5.225306457,3.505131845,2.880364017,2.538845467,1.771846324,1.574921685,0.654545455,0.654545455,1.769525481,1.135482688,0.971350588,0.244000381,0.10781929,0.586308088,0.654545455,0.654545455,0,0,0,1,0,0,5,0,0,0,0,0,0.102062073,0.102062073,0,0,0,0.088388348,0.036084392,0.288675135,0,0,0,0.102062073,0,0,0,0.40824829,0.433012702,0.40824829,0.144337567,0.153093109,0.144337567,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,4.443782196,2.911230926,2.099335306,1.411230926,0.946114263,0.632392159,0.072168784,0,0.634826028,0.415890132,0.262416913,0.176403866,0.118264283,0.07904902,0.036084392,0,9.423938123,16.76984705,15.97647059,16.2,10.47301198,130.038491,0.554349301,0.986461591,0.939792388,0.952941176,0.616059528,7.649323001,1.5196,28.092,25.81164286,34.91599912,51.62328572,7.374755103,25.81164286,0.063309915,0.009044274,-1.931799329,26.80913824,3.829876892,2.302119966,45,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,2,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46305556,0.46412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.680208333,0.802777778,0,0,0,0,0,0,0,0,0,0,0,0,5.239490741,0,0,0,0,0,0,0.46412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46305556,0.46412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.265625,0.401388889,0,0,0,0,0,0,0,0,0,0,0,0,0.847222222,0,0,0,0,0,0,0.46412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46305556,0.46412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,0,0,1.269583333,0,0,0,0,0,0,0.46412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.16666667,2.30952381,0.515972222,10.46305556,0.265625,0.46412037,2.459993565,1.202546296,3.463055556,6.926111111,1.202546296,3.463055556,6.926111111,3.33333,0.47619,0,0.02381,0.5098,0.80952,0.43333,0.5098,0.80952,0.07647,0,-0.07647,0,0.58823,0.12606,0,0.1,0.15,0,5.25,0.75,3.75,0.53571,1.5,0.21429,-2.25,-0.32143,0,0,4.93047,0.70435,6.62679,1.69632,0.24233,2.70568,0.38653,3.39384,0.68816,0.09831,0.02016,0.00288,0.10616,0.01517,0.352941176,7.01,1,1,1,1,0,0,0.833333333,1.221047785,1.736041168,2.351593723,2.793345194,2.793345194,2.793345194,20.75781235,29.51269985,39.9770933,47.4868683,47.4868683,47.4868683,0.298730003,0.424723413,0.575318679,0.683393416,0.683393416,0.683393416,2.866415056,2.351421674,1.735869118,1.294117647,1.294117647,1.294117647,0.292822481,0.416324314,0.563941491,0.669879001,0.669879001,0.669879001,10.66317026,16.84309085,17.95156927,19.68997452,19.68997452,19.68997452,25.51725005,20.17718123,20.14626147,18.18212562,18.18212562,18.18212562,5.142857143,2.34375,1.5,0,1,0,2.01,0.8611,0,0,0,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.405,0.403,0.748,0.387,3.744,8,8,8,8,2,0,0,0,0,48,2.197224577,2.397895273,2.397895273,2.397895273,2.397895273,1.609437912,0,0,0,0,4.094344562,1.229166667,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,4,0.333333333,1,0.444444444,0.1875,0.111111111,0,0,0,0,0,0,0.142857143,0.055555556,0.0375,0.111111111,0,0,0,0,0,0,0.34702381,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,17.07,106.1296758,3.807354922,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,71.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.388905171,98.07316494,5.769009702,13.67682532,1.953832189,2.490696528,2.490696528,0,42,5,0.92,30,1.244469826,2.108728606,2.835007835,3.69531369,4.235300316,0,0,0,0,0,97.23481765,109.2384471,79.58539365,49.30817641,18.38643678,0,0,0,0,0,314.2360242,383.8965952,332.6772451,271.5598255,179.1146884,0,0,0,0,0,9.327083054,15.55629475,21.03621884,27.2106947,31.02018104,0,0,0,0,0,2.24593432,2.930335346,2.775905952,2.556114321,1.967092016,0,0,0,0,0,177.3715286,320.2171327,464.9822948,643.8436488,783.4302793,0,0,0,0,0,3.184182068,4.891493168,6.997292054,8.811029077,9.827187433,0,0,0,0,0,0.481592218,0.647595966,0.652469848,0.637322235,0.529129626,0,0,0,0,0,330.4970852,146.8462535,12.87381503,82.19477305,-36.52072898,-18.7240795,248.3023122,183.3669825,31.59789453,0.800832579,0.355825419,0.03119474,0.199167421,-0.088493941,-0.045370606,136.3934563,60.60225323,5.312918648,33.92111363,-15.07180751,-7.727275163,0.298523557,0.6733234,11.46294737,39.6740805,353.7690873,58.92277097,0.857223326,0.142776674,519.8922311,22.80114539,8.040895954,616.7625919,24.83470539,8.512151441,821.9518489,28.66970263,9.367322207,1.198765869,1.194066499,277.2006654,205.1668402,115.8982408,1.351098769,2.391759041,1.770232566,3.466100759,3.651473827,5.07237696,0.389131403,2.789625488,4.674753343,4.307000761,5.781813473,10.73638139,3.328258708,5.834289293,1.848391192,0.592289302,1.14E-08,4.26E-38,3.06E-89,4.24E-162,1.13E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234681862,5.006156464,0.341342538,2.450022236,0.704119056,0.646078724,1.196135099,0.159578794,0.066205713,1.28E-09,4.76E-39,3.42E-90,4.75E-163,1.27E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.756200326,4.388969183,1.115144318,2.564541622,2.327675698,0.953483543,0.989990403,0.303923386,0.114690384,2.22E-09,8.25E-39,5.93E-90,8.22E-163,2.20E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.63321367,5.005347684,4.051605865,5.479494158,10.09874659,3.323104414,5.588032898,2.157673238,0.743919572,1.44E-08,5.35E-38,3.85E-89,5.33E-162,1.43E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.114206401,4.154464122,1.656927214,2.814069302,3.536119929,1.221442823,1.211749697,0.339906329,0.113569137,2.19E-09,8.17E-39,5.87E-90,8.14E-163,2.18E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368748049,4.884427031,5.266942327,7.384348871,13.76876263,4.167517057,8.290138555,2.698647121,0.865043653,1.67E-08,6.22E-38,4.47E-89,6.20E-162,1.66E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.79293704,8.732162909,2.738586654,4.545918409,7.260053681,3.884357929,6.090160407,4.38869328,1.776155336,3.43E-08,1.28E-37,9.19E-89,1.27E-161,3.40E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.787289878,1.595364986,0.622428723,0.446255325,0.398335004,0.596067044,0.446750014,0.443072424,4.005083587,4.956841239,10.73670545,0.266885493,1.485889482,2.123796315,0.958180652,0.227479524,0.641735681,0.289528101,0.696587503,0.17003525,0.042135112,3.309456491,2.73606719,6.508440084,0.462603522,0.908757865,1.570064619,1.315057189,0.372690583,0.481938316,0.403662652,0.402563057,0.320585597,0.140275454,3.257812391,3.139982494,7.167298361,0.328401452,0.863424109,1.751395163,1.698358497,0.619397166,0.430408023,0.417374182,0.581902146,0.546041475,0.409130187,4.069150826,5.111264497,11.02281025,0.271673307,1.537073808,1.496600172,1.399214108,0.430612034,0.449912318,0.420635834,0.424093792,0.350202192,0.210683487,3.326426314,3.341036551,7.569192055,0.305822228,0.984979472,1.839896656,1.640397556,0.659242626,0.444469207,0.396275627,0.631356503,0.470608339,0.495537376,4.139536838,5.312520274,11.44175814,0.261117251,1.597502219,1.776339348,1.706583839,0.623062414,0.432621914,0.415633177,0.551188084,0.552178809,0.406084889,4.105985601,5.201550552,11.19633243,0.272382636,1.509451782 +UMLMON0055,L,cyclohexanone,C1CCC(=O)CC1,7967,,UML,[1],C6H10O,PubChem,,87.7,0,-0.8061,0.64979721,36.0853,26.352688,0,0,26,10,16,0,8,0,2,0,0,0,0,0,0,0,1682.305994,1635.790101,1887.781373,1684.787512,1516.220511,1077.848905,859.052256,520.633346,281.592025,4318.256679,5285.075779,6501.791035,6208.33636,5241.230299,4357.150654,3821.763286,3134.559747,2068.222976,194.522984,189.22686,344.824556,416.48512,345.6687,282.739756,219.227592,237.19988,186.21226,30.71141448,38.56812896,51.29106537,50.43607521,40.70563071,33.95895999,32.14918817,28.99630497,21.03814958,4343.939853,3670.756885,7358.856922,9425.885906,7577.628696,6077.949794,4833.39693,5541.704339,4616.702266,99.27777778,65,115.0833333,124.25,126.3333333,102.6666667,69.75,64,37,64.70407669,65.43160404,41.0387255,30.08549129,33.69378913,29.94024736,28.6350752,15.77676806,10.42933426,166.0867953,211.4030311,141.3432834,110.8631493,116.4717844,121.0319626,127.3921095,94.98665899,76.60085098,7.481653231,7.5690744,7.496186,7.437234286,7.681526667,7.853882111,7.3075864,7.187875152,6.89675037,1.181208249,1.542725158,1.11502316,0.9006442,0.904569571,0.943304444,1.071639606,0.878675908,0.779190725,167.0746097,146.8302754,159.9751505,168.3193912,168.3917488,168.8319387,161.113231,167.9304345,170.9889728,3.818376068,2.6,2.501811594,2.21875,2.807407407,2.851851852,2.325,1.939393939,1.37037037,0.274242812,-0.163408196,0.046194028,-0.00507897,0.022908396,-0.056575056,0.024013359,-0.010582561,0.002273876,882.3953095,-16.00761486,-51.54279203,119.0603807,-65.04631882,-374.5196223,-206.5850969,-181.101738,77.98788379,1232.223078,-150.640033,-371.3571158,153.005406,-1.680601226,-43.33796371,-320.1630339,-198.3996476,31.35458867,2.012233846,0.022008994,0.808429041,-0.285068592,-0.646946272,-1.16443271,-0.133907976,-0.171800189,0.235024852,5.44084932,-1.061852848,-2.005132993,0.235215341,-0.056804927,1.226905841,-1.282524686,-0.518639658,-0.085891934,30.33541873,-6.445201195,-11.10342427,0.329963873,-0.706699619,8.65206048,-6.748398753,-2.230235826,-0.76023225,38.76068376,-0.387409599,10.59648258,-4.764464168,-7.688362919,-17.97633136,-1.544378698,-5.651380671,3.729289941,0.0105478,-0.006536328,0.001004218,-9.07E-05,5.09E-04,-0.001571529,8.00E-04,-3.21E-04,8.42E-05,33.93828114,-0.640304595,-1.120495479,2.126078227,-1.445473751,-10.40332284,-6.886169895,-5.487931453,2.88844014,47.39319532,-6.02560132,-8.072980778,2.732239392,-0.037346694,-1.203832325,-10.67210113,-6.012110533,1.161281062,0.077393609,8.80E-04,0.017574544,-0.005090511,-0.014376584,-0.032345353,-0.004463599,-0.005206066,0.008704624,0.209263435,-0.042474114,-0.043589848,0.004200274,-0.001262332,0.034080718,-0.042750823,-0.015716353,-0.003181183,1.166746874,-0.257808048,-0.241378788,0.005892212,-0.015704436,0.240335013,-0.224946625,-0.067582904,-0.02815675,1.490795529,-0.015496384,0.230358317,-0.085079717,-0.170852509,-0.499342538,-0.05147929,-0.17125396,0.13812185,-0.619686337,0.095206391,-0.00859856,0.048263662,-0.148991189,0.075887415,-0.030402895,0.007984379,-0.018866736,-0.033015681,0.06264543,-0.042591248,-0.306536527,-0.20290273,-0.161703282,0.085108616,-0.127140643,-0.170340504,0.057650457,-7.88E-04,-0.025400953,-0.22518214,-0.126855986,0.024503118,0.011375096,0.227080046,-0.065774301,-0.185759314,-0.417933125,-0.057674002,-0.067267393,0.112472131,-0.202969591,-0.20830131,0.020071705,-0.006032261,0.162860357,-0.204291891,-0.075103198,-0.015201809,-0.220963136,-0.206881881,0.00505012,-0.01346002,0.205987278,-0.192798138,-0.057924221,-0.024132698,-0.010394708,0.154520397,-0.057070011,-0.114604925,-0.334950386,-0.034531422,-0.114874211,0.092649761,1.62911742,0.941838622,1.171292811,1.522462225,1.819909201,0.704768405,0.454131341,0.113713658,1.12464819,1.047900149,0.908440736,1.119547778,1.45539579,1.134421852,1.016995214,0.635192386,1.503536455,1.251118583,0.849722159,0.892054513,0.902739079,1.286084029,1.045820315,0.845834299,0.708875861,0.715496191,1.163841585,1.746626023,2.32396297,0.716369688,0.699425456,0.054564382,1.687517838,1.321076151,0.871344181,0.880677631,0.703191194,1.293668616,0.984749246,0.856368448,1.716599977,1.324714486,0.887713759,0.90447805,0.689425367,1.27780167,0.955702664,0.834331024,0.578335171,0.511390873,1.002987675,1.682331863,2.248484013,1.113492282,1.12383482,0.06569276,55.25501015,27.87750507,42.99146345,55.65501015,5.565501015,27.87750507,0.5,0.079034463,0.007903446,-2.53787128,94.76889079,9.476889079,4.551441199,55.27133787,27.88493451,43.00447293,55.6701628,5.56701628,27.88493451,0.498531158,0.079064363,0.007906436,-2.537493036,94.77096179,9.477096179,4.551463052,69.79556021,34.49878563,54.82005935,69.15716905,6.915716905,34.49878563,-0.797988956,0.093702787,0.009370279,-2.367627347,204.8537854,20.48537854,5.322296482,55.28847428,27.89273194,43.01812764,55.68606596,5.568606596,27.89273194,0.4969896,0.079095694,0.007909569,-2.537096848,94.77327558,9.477327558,4.551487466,85.27613614,41.55577381,67.71102509,83.54446532,8.354446532,41.55577381,-2.164588529,0.097919015,0.009791902,-2.323614518,70.59926183,7.059926183,4.257019689,56.96572591,28.65599714,44.35883959,57.2427406,5.72427406,28.65599714,0.346268372,0.081927551,0.008192755,-2.50191995,95.70107875,9.570107875,4.561229571,54.22310941,27.35372485,41.94365978,54.8950789,5.48950789,27.35372485,1.175198413,0.092514181,0.009251418,-2.380393337,74.66464822,7.466464822,4.31300673,0,11.89,15.99591866,-0.315652179,0.261472884,4.154010431,6.741478624,9,25,24,24,8,1,1,0,0,1,20.365312,3.554249029,3.314732608,2.984982004,2.665420614,2.100900782,1.925738787,1.332145321,1.332127511,1.831288111,1.77794217,1.419247498,1.268158369,0.908036702,0.726652833,0.583210038,0.390376382,3.468236664,3.336633169,2.919893468,2.665042099,2.093305616,1.903348769,1.415345389,1.368906206,1.803737387,1.716091857,1.396610332,1.20720167,0.829147556,0.669656722,0.442409734,0.383568302,3.6467059,3.487049666,3.16335971,2.902308824,2.433171806,2.263798912,1.86767144,1.832644501,1.592722036,1.506118296,1.097203463,0.902466834,0.41509447,0.247450016,0.075459898,0.131327864,3.4626387,3.357679435,2.911451684,2.687240546,2.113792314,1.932909277,1.483515699,1.433827396,1.797040892,1.675993297,1.384361486,1.164934785,0.779456823,0.625336036,0.349399773,0.310701282,3.673805731,3.553290217,3.214569521,2.987293453,2.543144088,2.37950077,2.048723173,2.008159492,1.552498639,1.443557806,1.042854904,0.819306881,0.306448376,0.133408906,0.25352181,0.299416811,4.959411175,3.497563166,3.328687141,3.108986561,2.571290744,2.369192857,1.815799003,1.659901479,1.665429834,1.593056239,1.121205564,0.93495946,0.547926195,0.317989446,0.177263718,0.217275931,0,0,1,0,0,3,4,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.40824829,0.49279928,0.348461713,0.083333333,0.100592232,0.071129449,7.819990956,4.808060412,3.389628766,2.08195123,1.379936127,0.637136847,0.420630496,0.144337567,0.781999096,0.534228935,0.376625418,0.260243904,0.197133732,0.127427369,0.105157624,0.072168784,6.852030487,3.964690378,2.324023571,1.215064813,0.60663473,0.275862422,0.167609247,0.072168784,0.685203049,0.440521153,0.258224841,0.151883102,0.086662104,0.055172484,0.041902312,0.036084392,13.76422064,25.76402039,24.50196078,24.88,15.34891497,200.5350826,0.529393102,0.990923861,0.942383107,0.956923077,0.590342883,7.712887794,2.1298,40.775,31.26412072,48.34375653,62.52824143,6.252824143,31.26412072,0.070144679,0.007014468,-2.65719533,225.9137237,22.59137237,5.420153173,107,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,1,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.57954082,-0.059305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.698843537,0.5125,0,0,0,0,0,0,0,0,0,0,4.05033494,0,4.096096466,0,0,0,0,0,0,-0.059305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.69565193,4.883888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.883888889,-0.059305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272454649,0.5125,0,0,0,0,0,0,0,0,0,0,1.973294359,0,0.559240363,0,0,0,0,0,0,-0.059305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.69565193,4.883888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.69565193,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,2.07704058,0,1.082743056,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.69565193,4.883888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.66666667,2.366666667,0.555902778,10.69565193,0.163055556,-0.059305556,3.732425274,1.725972222,3.695651927,10.31316279,1.725972222,3.695651927,10.31316279,4.66666,0.46667,0,0.03333,0.51282,0.85333,0.425,0.51282,0.85333,0.08782,0,-0.08782,0,0.54687,0.16742,0,0.28571,0.10714,0,6.75,0.675,5.25,0.525,1.5,0.15,-3.75,-0.375,0,0,8.33387,0.83339,11.45959,3.12572,0.31257,3.75049,0.37505,4.80805,1.05757,0.10576,0.10595,0.01059,0.10595,0.01059,0,9.02,2,2,2,2,0,0,0.875,1.238901257,1.979097891,3.276610872,3.642371449,3.719294526,3.411602218,32.21143267,51.45654517,85.19188266,94.70165767,96.70165767,88.70165767,0.263571353,0.421045266,0.697086032,0.774900151,0.791265232,0.725804908,3.461538462,2.721341827,1.423828846,1.058068269,0.981145192,1.2888375,0.263571353,0.421045266,0.697086032,0.774900151,0.791265232,0.725804908,11.26589917,20.45555991,23.7734781,24.14210077,24.21962577,20.52731808,36.56521118,22.92976312,19.81351138,18.59228434,18.3432431,23.97523001,10,7.111111111,7,10,3,4,2.12,1.3102,0.125,3.144379939,0.516397779,0,3.838519496,2.305269779,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,4.356,9,8,7,5,4,2,1,0,0,55,2.397895273,2.48490665,2.397895273,2.302585093,1.945910149,1.791759469,1.098612289,0.693147181,0,0,4.17438727,1.163636364,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0.666666667,8,0.888888889,0,4,8,1,1.5,0.666666667,0.375,0.16,0.111111111,0.040816327,0.03125,0,0,0,0.166666667,0.074074074,0.046875,0.022857143,0.022222222,0.010204082,0.015625,0,0,0,0.358524187,31.26412072,48.34375653,62.52824143,6.252824143,31.26412072,0.070144679,0.007014468,-2.65719533,225.9137237,22.59137237,5.420153173,26.3,161.8683304,4.321928095,3.610917913,4.262679877,4.96284463,5.638354669,6.350885717,7.03438793,7.751475318,8.43793351,9.156834104,76.20631367,2.944438979,0,4.007333185,0,5.231108617,0,6.532334292,0,7.874358825,8.183955717,144.1150298,5.54288576,18.65329825,1.865329825,5.393276528,5.393276528,0,150,8,2.413,36,1.2352,2.121667401,2.853248792,3.639885096,4.890343179,5.863531322,6.985406628,8.011018422,9.299230482,10.26805076,91.62129167,95.83301524,98.10363539,147.5333884,163.6352115,190.1133374,124.1382252,94.99833666,46.21954804,10.43299673,284.102958,319.6768094,343.1569286,480.0007918,638.3315949,814.8858996,709.4094904,659.1126694,566.395778,319.1694656,9.406569307,16.00199017,21.30978169,28.13869696,38.54313716,42.88965536,50.26798486,55.40449053,63.79993795,68.98552937,2.0225454,2.474236991,2.711971215,3.610520414,4.883718602,6.729821358,6.443217414,6.558469903,6.352318206,4.565307875,179.5630998,336.2364244,476.8901538,602.0580485,819.3674161,930.1474027,1163.145103,1357.926832,1614.179083,1898.743837,3.300023333,5.534151722,6.492588332,10.48887459,14.05661621,13.73732604,13.64849563,11.33264022,12.61460828,10.26805076,0.4520484,0.576670277,0.651823639,0.901438477,1.196163192,1.500052084,1.441463383,1.428867774,1.408437186,1.051448398,427.2275084,359.4797096,14.05928515,181.3716788,-152.6105814,-19.13716359,245.8558296,512.090291,33.19644874,0.701985013,0.590667417,0.023101058,0.298014987,-0.250757123,-0.031444609,260.0103144,218.7790591,8.556469516,110.3826563,-92.87867578,-11.64686221,0.310710899,0.375089497,2.345145302,3.461007857,562.519607,46.07958023,0.924285833,0.075714167,710.1477289,26.64859713,8.921740098,865.1403062,29.41326752,9.52859457,1215.071566,34.85787667,10.67088942,2.517026005,2.517026005,1355.361688,1286.073104,92.67644659,1.053876085,14.6246618,13.87702217,4.873193239,5.518792456,10.96548272,0.986935151,4.475634913,6.190062996,3.842323017,20.24211751,5.699531194,1.709378287,7.48250005,9.778443828,5.175867088,3.436037114,6.095683591,4.636826748,1.998165879,1.399844578,3.32286869,6.439622025,4.175908829,0.419541747,3.880724899,0.010969386,1.833488228,7.81E-13,6.63E-47,1.09E-102,3.43E-180,2.09E-279,0,0,0,0,0.392116545,6.340943917,0.340587896,7.018833213,0.103034587,1.688961535,1.897391013,0.701675188,0.322547977,0.384107585,3.970275188,0.120625693,0.476325947,0.012592274,0.026274817,1.63020073,0.222884513,0.270931216,0.027754407,9.11E-04,0.012913408,5.50E-15,4.67E-49,7.65E-105,2.42E-182,1.47E-281,0,0,0,0,1.218382569,6.059867195,0.818766825,7.136717717,0.464293613,1.514826575,2.041991552,1.703639076,0.625816063,0.665385202,4.402653745,0.505231823,0.646692782,0.109710059,0.2512574,2.128687205,0.803558267,0.293122246,0.285907195,0.002948219,0.134567662,5.73E-14,4.87E-48,7.97E-104,2.52E-181,1.53E-280,0,0,0,0,4.229749369,6.340617585,4.109772574,20.40739645,5.140206453,1.794092408,8.263350059,9.52074272,4.80389985,4.315790158,5.965427313,4.284558468,1.897365883,1.249099664,2.96259343,5.974245844,3.853877386,0.407562999,3.457946468,0.010347897,1.633605001,6.96E-13,5.91E-47,9.68E-103,3.06E-180,1.86E-279,0,0,0,0,1.788089992,5.953072815,1.076955428,7.816796681,0.934536895,1.455905551,2.212811755,2.500032865,1.020553938,0.658855697,4.69992176,0.900517555,0.794648104,0.231620465,0.538698354,2.614360251,1.269342823,0.310773681,0.619990323,0.00435124,0.292298945,1.25E-13,1.06E-47,1.73E-103,5.47E-181,3.33E-280,0,0,0,0,5.405000361,6.285574082,5.177814404,26.55507224,8.292540869,1.825548632,10.06678216,13.40633422,7.367555481,5.018362544,6.579457895,6.605766094,2.594008714,2.032716906,4.836725411,8.356797871,5.459114515,0.467164722,5.658296703,0.013277009,2.673970266,1.14E-12,9.67E-47,1.58E-102,5.00E-180,3.05E-279,0,0,0,0,2.836919372,6.278774352,3.336163596,20.53384294,2.50459926,1.752765367,9.350190247,7.741291498,3.030041775,4.439705696,5.135541416,2.580490415,1.418678828,0.523323332,1.233603317,3.990559068,2.006160478,0.481403471,1.43467914,0.008055174,0.676871796,2.88E-13,2.45E-47,4.01E-103,1.27E-180,7.71E-280,0,0,0,0,12.25039495,0.827228794,0.446274473,0.905833123,0.061167925,0.603820929,0.522155592,0.538444491,13.52389822,15.97008909,34.01647901,0.858749684,1.664421012,8.867018707,0.587104589,0.081101428,0.929922363,0.061572182,0.316648712,0.259489698,0.017782542,9.535224724,5.972610275,15.93003828,0.894883544,0.593920953,10.82740586,0.60996387,0.228378418,0.928136432,0.052286734,0.471707224,0.284070582,0.141009043,11.66574815,9.216374786,22.39040855,0.892204648,0.896786849,11.87345161,0.836645648,0.425105011,0.903941284,0.063694919,0.567230545,0.534437117,0.48857281,13.13520227,15.33699765,32.69513852,0.855911927,1.590240471,11.63047688,0.64207198,0.30183686,0.924934,0.051061896,0.544252485,0.314695733,0.246309632,12.57438572,11.17191093,26.00029459,0.887401,1.10525785,12.33772323,0.86159821,0.471148428,0.902509083,0.063026232,0.612460785,0.566429488,0.600139675,13.67046986,16.84899979,35.52785294,0.853763625,1.779029949,11.9731283,0.849409898,0.428294123,0.903575565,0.064102381,0.576795196,0.550903718,0.495930795,13.25083232,15.66191144,33.26853512,0.855363347,1.623629709 +UMLMON0056,L,"Butanoic Acid, butyl ester",CCCCOC(=O)CCC,7983,Co optima database valuese measured by NREL,Sandia,,C8H16O2,PubChem,,90.7,0,-0.7614,0.57972996,20.5322,16.801516,0,0,17,5,12,0,5,0,0,0,0,0,0,0,0,0,733.513373,722.34154,659.864523,478.348754,281.592025,84.835296,9.144576,0,0,2490.589442,3070.907003,3615.5635,3075.021321,2068.222976,1061.424631,279.7536999,0,0,118.324148,115.573648,211.2051,249.09716,186.21226,123.32736,60.466176,0,0,19.27985486,24.51813172,32.41201372,30.05967844,21.03814958,12.01662072,4.001516144,0,0,2852.983605,2344.647997,4800.847795,6095.657421,4616.702266,3137.747111,1664.258868,0,0,26.75,31.5,46.25,49,37,24,9,0,0,43.14784547,45.14634625,21.9954841,13.28746539,10.42933426,4.713072,1.016064,0,0,146.5052613,191.9316877,120.5187833,85.41725893,76.60085098,58.96803508,31.08374443,0,0,6.960244,7.223353,7.04017,6.919365556,6.89675037,6.85152,6.718464,0,0,1.134109109,1.532383233,1.080400457,0.834991068,0.779190725,0.66759004,0.444612905,0,0,167.822565,146.5404998,160.0282598,169.3238172,170.9889728,174.3192839,184.917652,0,0,1.573529412,1.96875,1.541666667,1.361111111,1.37037037,1.333333333,1,0,0,0.024802919,-0.004412371,-0.010659831,-5.80E-05,-2.30E-04,-0.001768141,0.004726855,0,0,427.2917965,-60.32354774,-177.2004215,-21.78350335,-23.45915745,-25.13481156,94.25554334,0,0,794.5673416,-112.1742129,-329.5117505,-40.50735467,-43.62330503,-46.73925539,175.2722077,0,0,0.083703529,-0.011816969,-0.034712346,-0.004267239,-0.004595488,-0.004923737,0.018464014,0,0,3.552085711,-0.501470924,-1.473070839,-0.181086723,-0.19501647,-0.208946218,0.783548319,0,0,19.29498596,-2.723998018,-8.001744177,-0.983665951,-1.059332562,-1.134999174,4.256246903,0,0,2.029411765,-0.704152249,-0.566608997,0.055363322,0.291522491,-0.472318339,0.381487889,0,0,0.001458995,-2.76E-04,-3.55E-04,-1.61E-06,-8.52E-06,-9.82E-05,5.25E-04,0,0,25.13481156,-3.770221734,-5.906680716,-0.605097315,-0.868857683,-1.39637842,10.47283815,0,0,46.73925539,-7.010888308,-10.98372502,-1.125204296,-1.615677964,-2.596625299,19.47468974,0,0,0.004923737,-7.39E-04,-0.001157078,-1.19E-04,-1.70E-04,-2.74E-04,0.002051557,0,0,0.208946218,-0.031341933,-0.049102361,-0.005030187,-0.007222832,-0.011608123,0.087060924,0,0,1.134999174,-0.170249876,-0.266724806,-0.027324054,-0.039234539,-0.06305551,0.472916323,0,0,0.119377163,-0.044009516,-0.018886967,0.00153787,0.010797129,-0.026239908,0.042387543,0,0,-0.189015802,-0.243542731,-0.001104782,-0.005837242,-0.06732718,0.359977965,0,0,-0.15,-0.235,-0.024074074,-0.034567901,-0.055555556,0.416666667,0,0,-0.15,-0.235,-0.024074074,-0.034567901,-0.055555556,0.416666667,0,0,-0.15,-0.235,-0.024074074,-0.034567901,-0.055555556,0.416666667,0,0,-0.15,-0.235,-0.024074074,-0.034567901,-0.055555556,0.416666667,0,0,-0.15,-0.235,-0.024074074,-0.034567901,-0.055555556,0.416666667,0,0,-0.36865942,-0.15821256,0.012882448,0.090445518,-0.219806763,0.355072464,0,0,1.737649235,1.320475875,0.854935481,0.842596687,0.83641934,0,0,0,1.7,1.36,0.881481481,0.839506173,0.755555556,0,0,0,1.7,1.36,0.881481481,0.839506173,0.755555556,0,0,0,1.7,1.36,0.881481481,0.839506173,0.755555556,0,0,0,1.7,1.36,0.881481481,0.839506173,0.755555556,0,0,0,1.7,1.36,0.881481481,0.839506173,0.755555556,0,0,0,1.971014493,1.051207729,0.766505636,0.803005904,1.314009662,0,0,0,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,19.1627681,9.531384049,15.75236883,19.1027681,3.82055362,9.53153419,-0.1,1.11E-16,2.22E-17,-18.36840028,2000004.099,400000.8197,7.254329894,0,11.89,12.11005553,-0.170508481,0.049754285,4.958848989,6.384508432,4,16,16,16,4,0,0,0,0,0,13.118484,3.39394298,2.902564078,2.234828892,1.598026915,1.187258543,0.083923071,0.083923071,0.083923071,1.865929755,1.563026335,1.144444036,0.769718516,0.553887413,0.083923071,0.083923071,0.083923071,3.426706868,2.950308951,2.305078211,1.695309721,1.307890993,0.270913902,0.270913902,0.270913902,1.798813498,1.473453684,1.029023966,0.630337185,0.399096902,0.270913902,0.270913902,0.270913902,3.569283482,3.155598408,2.599681189,2.090117344,1.782051108,0.943918427,0.943918427,0.943918427,1.597427488,1.195492746,0.655367741,0.162386152,0.13353473,0.943918427,0.943918427,0.943918427,3.450769146,2.985267979,2.356141543,1.765276817,1.393671185,0.399277246,0.399277246,0.399277246,1.755722936,1.415133181,0.952630191,0.536857124,0.294397011,0.399277246,0.399277246,0.399277246,3.637744659,3.252217518,2.733638931,2.26277616,1.982670235,1.207644823,1.207644823,1.207644823,1.533404227,1.104407163,0.527456807,0.004703131,0.329741677,1.207644823,1.207644823,1.207644823,3.456167551,3.088017591,2.468817839,1.859415276,1.495457506,0.588235294,0.588235294,0.588235294,1.734780343,1.300863664,0.816419181,0.411275086,0.16336102,0.588235294,0.588235294,0.588235294,0,0,0,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,8.250966823,16.32702112,15.35294118,15.56,9.791326946,131.4268359,0.48535099,0.960413007,0.903114187,0.915294118,0.575960409,7.730990349,2.1965,25.199,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,4.423611111,0,4.076388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.211805556,0,1.34375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.211805556,0,1.388888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.5,1.7,0.2,2.211805556,0.2,1.34375,3.875819444,0.15625,0.211805556,0.847222222,0.15625,0.211805556,0.847222222,2.5,0.5,0,0,0.41765,0.7,0.41765,0.41765,0.7,0,0,0,0,0.71429,0,0,0.4,0,0,2,0.4,2,0.4,0,0,-2,-0.4,0,0,4.09272,0.81854,4.09272,0,0,2.41421,0.48284,2.41421,0,0,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4,0,0,0,0,0,0,1,0.873981048,1.159554752,2.027489311,2.116299606,1.540007324,1.384692888,14.85767782,19.71243079,34.46731829,35.9770933,26.18012451,23.53977909,0.213819937,0.283685699,0.496026359,0.517753846,0.376763627,0.338765866,3.213481793,2.927908089,2.05997353,1.971163236,2.547455517,2.702769954,0.218495262,0.289888688,0.506872328,0.529074901,0.385001831,0.346173222,6.588780814,10.01566527,12.67169764,10.17480877,9.537453639,5.388226008,19.83472123,16.56436327,16.52370694,19.10355758,13.94714955,9.505207406,5,4,4,5,0,5,2.01,0.8131,0.25,3.301927249,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,2.269,3,2,1,0,0,0,0,0,0,15,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,0,0,2.772588722,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.5,4,1,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,0,95.03638183,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,72.09390038,4.24081767,8.849873734,1.769974747,0,0,0,20,2,3.185,14,1.2155,2.092697052,2.823121705,3.533912901,4.841113572,5.71185753,0,0,0,0,65.03495578,52.13174453,45.54109359,47.32919517,24.7140772,5.803612809,0,0,0,0,257.0304509,271.1018315,263.1097111,312.9939119,299.7831028,177.5459197,0,0,0,0,8.812494779,14.78166705,19.58010244,24.51829235,33.23728001,38.37490919,0,0,0,0,1.991404788,2.380722688,2.488409701,3.049449287,3.346326501,2.539565568,0,0,0,0,176.0959978,331.2997,474.7789493,593.0408367,838.4596352,1056.223283,0,0,0,0,2.46028125,3.320514809,3.949024734,5.174637486,6.625907833,5.71185753,0,0,0,0,0.414511875,0.507115079,0.538050516,0.66187002,0.74131772,0.584894211,0,0,0,0,342.5156733,101.0040335,8.289209607,159.5704575,-47.05553962,-9.58566614,182.9452158,148.0595731,17.87487575,0.682185092,0.201168738,0.016509537,0.317814908,-0.093720055,-0.019091677,171.9723692,50.71272439,4.161897179,80.11811361,-23.62593382,-4.812830024,0.089474877,0.22098478,1.95165641,14.67771004,502.0861309,0,1,0,248.3262766,15.75837163,6.285515363,364.5707096,19.09373482,7.143766615,343.5942835,18.53629638,7.004040413,1.91052409,1.91052409,262.2128483,247.8268546,31.1153899,1.058048566,8.427111122,7.964767771,3.319965475,3.220194404,6.42424645,0.994987148,3.346806641,3.794149359,1.817417009,10.98166136,5.542274002,0.143483173,1.978639402,8.390983759,1.622394608,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.28087429,3.79390147,0.118895535,3.082253751,0.04176018,0.001163757,0.277851465,0.333435168,0.940624858,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0.906696446,3.793918507,0.405967517,3.73400432,0.413773867,0.010874038,0.624992159,1.320674985,0.98758703,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.15911246,3.79412231,1.692338752,10.15820608,4.939943017,0.127928578,1.87450905,7.665112602,1.548039291,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336303737,3.793940168,0.620739546,4.466658491,0.892065326,0.023282332,0.863301197,2.193602889,1.047201643,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041753714,3.79426299,2.304478409,14.41643027,8.073995966,0.208843306,2.364197824,11.34265074,1.934734008,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.026613018,3.446103369,0.912695501,5.76105827,1.924229325,0.049945048,1.21713962,3.521030779,1.535757028,1.652095205,0.056249377,0.389865242,2.78E-15,3.82E-51,1.01E-108,5.17E-188,5.10E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.05573004,0.731531522,0.488220724,0.768788486,0.138666284,0.565615215,0.515061766,0.588213455,5.275482286,5.304134674,12.02811628,0.653182729,1.668890436,3.321390012,0.316307643,0.115953352,0.884842519,0.084266663,0.37933486,0.096296964,0.033179448,3.753651008,1.472384285,5.347853687,0.827263778,0.508811272,3.630227242,0.490936001,0.272515734,0.826238617,0.111736885,0.453159019,0.231975961,0.183267602,4.393678977,2.90529107,7.784650106,0.739357926,0.868402582,4.039189805,0.722179042,0.479835793,0.770660579,0.137788751,0.561011195,0.501976035,0.568182452,5.24120464,5.201693423,11.84258782,0.655990869,1.631169682,3.7602957,0.564481671,0.338452822,0.806371452,0.121049497,0.486213486,0.306685266,0.282682429,4.663230194,3.586351107,8.967987353,0.709557177,1.075581181,4.107027869,0.760537273,0.514225718,0.763134053,0.141316765,0.58001377,0.556716673,0.65254448,5.38179086,5.626574954,12.61457441,0.644701079,1.789274924,4.054481876,0.722580953,0.480551188,0.771163852,0.137435147,0.565267129,0.502534916,0.569877939,5.257614018,5.225314597,11.89079529,0.656745778,1.637679984 +UMLMON0057,L,Pentane,CCCCC,8003,"Co optima database mon values measured api report, Because UML has more reliable source use there data ","Sandia, UML",[1],C5H12,PubChem,,63.2,0,0.7264,0.52765696,23.4093,15.46793,0,0,15,5,10,0,5,0,0,0,0,0,0,0,0,0,731.481245,698.127364,620.495067,448.038194,253.313593,67.647888,6.096384,0,0,2428.421953,2841.433771,3178.102417,2659.045622,1714.414766,791.2692929,186.5024666,0,0,104.88722,101.338384,169.696812,194.551112,145.10314,82.617408,40.310784,0,0,18.39062905,22.2910431,27.73754208,25.16491239,17.03260934,8.680011884,2.667677429,0,0,2483.148301,2038.402901,3786.727196,4679.906413,3570.786562,2060.036303,1109.505912,0,0,31.5,34.25,43.5,45.5,35,20,6,0,0,48.76541633,49.86624029,25.85396112,16.00136407,12.06255205,5.637324,1.016064,0,0,161.8947969,202.9595551,132.4209341,94.96591507,81.63879838,65.93910774,31.08374443,0,0,6.992481333,7.238456,7.0707005,6.948254,6.909673333,6.884784,6.718464,0,0,1.226041937,1.592217364,1.15573092,0.898746871,0.811076635,0.723334324,0.444612905,0,0,165.54322,145.6002072,157.7802998,167.1395148,170.0374553,171.6696919,184.917652,0,0,2.1,2.446428571,1.8125,1.625,1.666666667,1.666666667,1,0,0,0.040801794,-0.007684701,-0.018510288,0.003444604,-5.48E-04,-0.004435967,0.007333777,0,0,403.5533633,-53.80711511,-161.4213453,-26.90355756,-3.55E-15,-40.35533633,80.71067267,0,0,750.4247115,-100.0566282,-300.1698846,-50.0283141,-9.24E-14,-75.04247115,150.0849423,0,0,0.079053333,-0.010540444,-0.031621333,-0.005270222,-4.59E-16,-0.007905333,0.015810667,0,0,3.354747616,-0.447299682,-1.341899046,-0.223649841,5.27E-16,-0.335474762,0.670949523,0,0,18.22304229,-2.429738973,-7.289216918,-1.214869486,-2.49E-14,-1.822304229,3.644608459,0,0,4.833333333,-0.861111111,-1.166666667,-0.055555556,0.333333333,-1.333333333,0.666666667,0,0,0.00272012,-5.49E-04,-7.71E-04,1.23E-04,-2.61E-05,-3.70E-04,0.001222296,0,0,26.90355756,-3.843365365,-6.725889389,-0.960841341,-1.69E-16,-3.362944694,13.45177878,0,0,50.0283141,-7.146902014,-12.50707852,-1.786725503,-4.40E-15,-6.253539262,25.01415705,0,0,0.005270222,-7.53E-04,-0.001317556,-1.88E-04,-2.18E-17,-6.59E-04,0.002635111,0,0,0.223649841,-0.031949977,-0.05591246,-0.007987494,2.51E-17,-0.02795623,0.111824921,0,0,1.214869486,-0.173552784,-0.303717372,-0.043388196,-1.18E-15,-0.151858686,0.607434743,0,0,0.322222222,-0.061507937,-0.048611111,-0.001984127,0.015873016,-0.111111111,0.111111111,0,0,-0.201795263,-0.283539745,0.045226532,-0.009599047,-0.135899861,0.449353832,0,0,-0.142857143,-0.25,-0.035714286,-6.29E-18,-0.125,0.5,0,0,-0.142857143,-0.25,-0.035714286,-8.79E-17,-0.125,0.5,0,0,-0.142857143,-0.25,-0.035714286,-4.15E-15,-0.125,0.5,0,0,-0.142857143,-0.25,-0.035714286,1.12E-16,-0.125,0.5,0,0,-0.142857143,-0.25,-0.035714286,-9.75E-16,-0.125,0.5,0,0,-0.1908867,-0.150862069,-0.006157635,0.049261084,-0.344827586,0.344827586,0,0,1.452236024,1.196521654,0.759852477,0.940778679,1.165157117,0.156344826,0,0,1.5,1.3125,0.9,0.8,0.875,0,0,0,1.5,1.3125,0.9,0.8,0.875,0,0,0,1.5,1.3125,0.9,0.8,0.875,0,0,0,1.5,1.3125,0.9,0.8,0.875,0,0,0,1.5,1.3125,0.9,0.8,0.875,0,0,0,1.5,0.890086207,0.814655172,0.931034483,1.689655172,0,0,0,14.83761862,7.418809311,12.35224229,14.83761862,2.967523724,7.420267565,-1.78E-15,0.09494679,0.018989358,-1.177219322,16.9738535,3.3947707,1.415837065,14.83761862,7.418809311,12.35224229,14.83761862,2.967523724,7.420267565,-1.78E-15,0.09494679,0.018989358,-1.177219322,16.9738535,3.3947707,1.415837065,14.83761862,7.418809311,12.35224229,14.83761862,2.967523724,7.420267565,-1.78E-15,0.09494679,0.018989358,-1.177219322,16.9738535,3.3947707,1.415837065,14.83761862,7.418809311,12.35224229,14.83761862,2.967523724,7.420267565,-1.78E-15,0.09494679,0.018989358,-1.177219322,16.9738535,3.3947707,1.415837065,14.83761862,7.418809311,12.35224229,14.83761862,2.967523724,7.420267565,-1.78E-15,0.09494679,0.018989358,-1.177219322,16.9738535,3.3947707,1.415837065,14.83761862,7.418809311,12.35224229,14.83761862,2.967523724,7.420267565,-1.78E-15,0.09494679,0.018989358,-1.177219322,16.9738535,3.3947707,1.415837065,21.09638642,10.38152654,17.7246949,20.89638642,4.179277284,10.38159712,-0.333333333,0.141184877,0.028236975,-0.97884253,11.93431729,2.386863459,1.239709028,0,11.79,12.21002884,-0.306952295,0.113242718,4.962581409,6.553256873,4,14,13,13,3,1,1,0,0,1,10.93207,3.424382986,2.923130113,2.151880755,1.408858089,0.91409933,0.083923071,0.083923071,0.083923071,1.841280147,1.502884653,1.056771571,0.65178922,0.35001033,0.083923071,0.083923071,0.083923071,3.451819021,2.963581857,2.220635348,1.513051785,1.0416878,0.270913902,0.270913902,0.270913902,1.779222966,1.421778179,0.94075859,0.505648208,0.188798359,0.270913902,0.270913902,0.270913902,3.573816307,3.14009509,2.511589032,1.934638334,1.542298826,0.943918427,0.943918427,0.943918427,1.598408593,1.174896333,0.566973211,0.011454745,0.368887427,0.943918427,0.943918427,0.943918427,3.472108455,2.993340828,2.2707801,1.587949745,1.132407503,0.399277246,0.399277246,0.399277246,1.739837574,1.369360172,0.864090473,0.407370093,0.079542091,0.399277246,0.399277246,0.399277246,3.633931817,3.22465886,2.644984431,2.11794573,1.753184938,1.207644823,1.207644823,1.207644823,1.542710228,1.095678251,0.439919511,0.166337154,0.575489175,1.207644823,1.207644823,1.207644823,3.516739676,3.054405915,2.304220154,1.605960139,1.214076205,0.5,0.5,0.5,1.789511559,1.26962081,0.785255433,0.366696594,0.015682308,0.5,0.5,0.5,0,0,1,1,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,3.698670613,2.023603362,1.077350269,0.49279928,0.204124145,0,0,0,0.739734123,0.505900841,0.359116756,0.24639964,0.204124145,0,0,0,7.709139019,14.43918427,13.62745098,13.8,8.992772455,115.1412754,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.89869,24.835,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,3,1,0,2,0,0,0,0,0,0,0,0,1,1,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.480972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0.344097222,0,0,0.759305556,0.290277778,0,0.740694444,0,0,0,0,0,0,0,0,2.140555556,3.550416667,2.378472222,0,1.930555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.930555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0.344097222,0,0,0.225625,0.290277778,0,0.344097222,0,0,0,0,0,0,0,0,2.140555556,3.550416667,1.152777778,0,1.930555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.550416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0.344097222,0,0,0.290277778,0.290277778,0,0.396597222,0,0,0,0,0,0,0,0,2.140555556,3.550416667,1.225694444,0,1.930555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,2,0.396597222,3.550416667,0.225625,1.152777778,3.740731667,0.347222222,0.550416667,1.381944444,0.347222222,0.550416667,1.381944444,2.5,0.5,0,0,0.43333,0.7,0.41765,0.41765,0.7,0.01569,0.01569,0,0,0.71429,0,0,0.4,0,0,3,0.6,2,0.4,1,0.2,-1,-0.2,0,0,3.03087,0.60617,4.09272,1.06185,0.21237,1.84933,0.36987,2.41421,0.56488,0.11298,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4,0,0,0,0,0,0,0.6,0.918295834,2.279799132,3.189898095,3.189898095,2.929438722,2.020934564,13.77443751,34.19698698,47.84847143,47.84847143,43.94158084,30.31401845,0.235045188,0.583532883,0.816480016,0.816480016,0.749813349,0.517274419,2.988594762,1.627091464,0.7169925,0.7169925,0.977451873,1.885956032,0.235045188,0.583532883,0.816480016,0.816480016,0.749813349,0.517274419,6.73287657,16.61271364,17.52993415,17.52993415,14.40442168,7.762778442,19.74937501,12.79875458,11.7929099,11.7929099,10.23015366,6.329470357,5,4,4,5,2,5,2.01,0.7701,0.25,3.301927249,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,2.162,3,2,1,0,0,0,0,0,0,15,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,0,0,2.995732274,1.266666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.5,3,0.75,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,0,92.39992313,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,70.07825032,4.671883355,8.849873734,1.769974747,0,0,0,20,2,2.819,14,1.212428571,2.115585241,2.8678493,3.588216882,4.939252652,5.88270204,0,0,0,0,70.18493327,61.40616032,54.99274713,55.14348712,30.02727022,5.977201766,0,0,0,0,268.7976717,299.8307382,296.6233806,337.8352264,342.1557333,182.8564068,0,0,0,0,8.807231678,15.0053697,19.97460842,24.93960697,34.0842579,39.52272188,0,0,0,0,2.053742327,2.566760438,2.720378615,3.217931091,3.70440015,2.615525242,0,0,0,0,174.5923113,330.4085046,475.9771078,598.9623097,841.6615888,1087.815449,0,0,0,0,3.048053571,3.960909524,4.843394629,6.537698351,8.530187633,5.88270204,0,0,0,0,0.426432857,0.54429098,0.585007915,0.695983865,0.816047799,0.602388689,0,0,0,0,305.9036835,105.9906939,9.921544864,187.6226546,-65.00822457,-12.10893677,118.2810289,170.9989185,22.03048163,0.61983254,0.214761981,0.020103375,0.38016746,-0.131721895,-0.024535543,150.9715247,52.30919902,4.896543705,92.59672167,-32.08327101,-5.976079222,0.163441145,0.296205898,3.633731167,7.638526358,493.5263381,0,1,0,268.9762393,16.40049509,6.45512474,366.483537,19.14375974,7.156238785,365.6309874,19.12147974,7.150685297,2.008938157,2.008938157,248.9038092,234.2462343,24.68688957,1.062573364,10.08242892,9.488689682,3.181925663,3.477616438,6.522108179,0.875453575,3.03399221,2.966362138,2.534510162,8.036998003,4.557334177,1.012221984,2.804470959,4.939437359,1.040165523,0.660501497,0.648627375,1.904596213,2.41E-10,5.90E-42,2.78E-95,2.53E-170,4.43E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0.25463265,2.966216742,0.162147541,2.907480813,0.034837854,0.084666835,0.254618062,0.188302531,0.788243434,0.055423534,0.035200744,0.013414227,1.70E-12,4.15E-44,1.96E-97,1.78E-172,3.12E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0.82195919,2.96622678,0.556745036,3.36359461,0.341522587,0.266378334,0.766129826,0.75693306,0.839343022,0.178919051,0.126306161,0.139786586,1.77E-11,4.33E-43,2.04E-96,1.85E-171,3.25E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,2.863841809,2.966346289,2.357559811,7.51392117,4.062389478,0.952741211,2.645198361,4.506653022,1.024628738,0.623454177,0.599007543,1.696960936,2.15E-10,5.25E-42,2.48E-95,2.25E-170,3.95E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.211411074,2.966239502,0.854243467,3.852161787,0.735089753,0.393380794,1.119929274,1.26639796,0.874517217,0.263698947,0.198974555,0.303635145,3.85E-11,9.40E-43,4.43E-96,4.03E-171,7.06E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,3.663982558,2.96642871,3.225688815,10.21107831,6.637505897,1.235514197,3.397787755,6.702986174,1.097821019,0.797676588,0.84604765,2.777674579,3.52E-10,8.60E-42,4.05E-95,3.69E-170,6.46E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.557836958,2.099483848,1.127371719,3.875183707,1.150772254,0.37587372,1.876959301,1.666024962,1.295524671,0.495325359,0.261768053,0.476149053,6.03E-11,1.47E-42,6.95E-96,6.32E-171,1.11E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,4.011491495,0.773978241,0.33171481,0.783925508,0.151250797,0.520419933,0.508083785,0.399986227,5.117184546,4.692218316,10.83931337,0.675888262,1.428489944,3.308115299,0.281621611,0.071512482,0.9035482,0.076919538,0.353910775,0.067270119,0.018589984,3.661249392,1.188347756,4.916220805,0.8553223,0.439770879,3.587473248,0.477169929,0.174856401,0.846202053,0.112553362,0.416211227,0.193121902,0.111142045,4.239499577,2.42256323,6.961388001,0.76930308,0.720475174,3.994077859,0.761788902,0.325272933,0.786059447,0.14992481,0.515911246,0.492206596,0.38460167,5.081139694,4.589598919,10.66042841,0.679089171,1.392719512,3.711994691,0.564333755,0.220921039,0.82539221,0.1254842,0.445607871,0.270119075,0.177414645,4.497249485,3.039534827,7.999570567,0.738088315,0.893141591,4.06600895,0.8121398,0.351882605,0.777434909,0.155283926,0.534662279,0.559420574,0.450101967,5.230031355,5.018703388,11.41071012,0.666152363,1.544184821,4.021549993,0.759455956,0.324503618,0.787688269,0.148752234,0.523037716,0.489189962,0.382784551,5.105509568,4.605643826,10.70224913,0.681532403,1.395012228 +UMLMON0058,L,1-Pentene,CCCC=C,8004,Sandia values from independent api report ,"Sandia, UML",[9],C5H10,PubChem,,77.1,0,-0.7069,0.49970761,16.8667,13.176344,0,0,13,5,8,0,4,0,1,0,0,0,0,0,0,0,841.152997,913.977045,1030.977621,221.985792,12.192768,0,0,0,0,2159.128339,2793.90264,3705.238606,2077.898852,373.0049332,0,0,0,0,97.261492,99.630372,192.859428,203.917824,80.621568,0,0,0,0,15.35570724,19.95373448,28.32543528,20.83695852,5.335354858,0,0,0,0,2171.969926,1912.050107,4004.948013,4797.219504,2219.011824,0,0,0,0,29.25,29.25,53.25,44,12,0,0,0,0,64.70407669,70.30592654,41.23910484,7.928064,1.016064,0,0,0,0,166.0867953,214.9155877,148.2095442,74.21067329,31.08374443,0,0,0,0,7.481653231,7.663874769,7.71437712,7.282779429,6.718464,0,0,0,0,1.181208249,1.534902652,1.133017411,0.74417709,0.444612905,0,0,0,0,167.0746097,147.0807774,160.1979205,171.329268,184.917652,0,0,0,0,2.25,2.25,2.13,1.571428571,1,0,0,0,0,0.166861775,-0.030290087,-0.061106998,-0.017764016,0.025730214,0,0,0,0,441.1976548,25.77965908,-198.9386779,-294.6365429,247.1967344,0,0,0,0,616.1115392,-56.84338354,-230.9159335,-359.8460292,339.5495767,0,0,0,0,1.006116923,0.022630154,-0.405269775,-0.320349065,0.199930225,0,0,0,0,2.72042466,-0.59382257,-0.825059763,-1.163071608,1.221741611,0,0,0,0,15.16770937,-3.820079871,-4.293260755,-5.6554302,6.184916144,0,0,0,0,5.692307692,0.307692308,-2.408284024,-2.183431953,1.437869822,0,0,0,0,0.012835521,-0.002330007,-0.00244428,-6.34E-04,0.002144184,0,0,0,0,33.93828114,1.983050698,-7.957547118,-10.52273367,20.59972786,0,0,0,0,47.39319532,-4.372567964,-9.236637339,-12.8516439,28.29579805,0,0,0,0,0.077393609,0.001740781,-0.016210791,-0.011441038,0.016660852,0,0,0,0,0.209263435,-0.045678659,-0.033002391,-0.041538272,0.101811801,0,0,0,0,1.166746874,-0.293852298,-0.17173043,-0.20197965,0.515409679,0,0,0,0,0.437869822,0.023668639,-0.096331361,-0.077979713,0.119822485,0,0,0,0,-0.181528017,-0.190430906,-0.04942761,0.16705083,0,0,0,0,0.058431088,-0.23447113,-0.310054998,0.606976169,0,0,0,0,-0.092261514,-0.194893745,-0.271170657,0.597043476,0,0,0,0,0.022492569,-0.209459038,-0.147829234,0.215274261,0,0,0,0,-0.218283042,-0.157707392,-0.198497514,0.486524561,0,0,0,0,-0.251856083,-0.147187393,-0.173113513,0.441749355,0,0,0,0,0.054054054,-0.22,-0.178088803,0.273648649,0,0,0,0,1.079202865,1.533771392,0.907522794,0.017953309,0,0,0,0,1.046455482,1.296573014,1.142205478,0,0,0,0,0,1.400782816,1.2092156,1.05569405,0,0,0,0,0,0.843451136,1.537371059,1.021459241,0,0,0,0,0,1.621620514,1.204846877,0.957062907,0,0,0,0,0,1.669131046,1.213986238,0.926844302,0,0,0,0,0,0.810810811,1.517837838,1.054054054,0,0,0,0,0,10.66538388,5.457691938,7.897885203,10.81538388,2.163076775,5.469380842,0.25,0.068325039,0.013665008,-1.341739488,11.99443274,2.398886548,1.242221302,10.66925687,5.459261223,7.899720492,10.81881621,2.163763243,5.470927706,0.249265579,0.068101504,0.013620301,-1.343377989,11.99776791,2.399553583,1.242360313,14.18871007,6.894857797,10.13854223,13.94931339,2.789862677,6.897280554,-0.398994478,1.11E-16,2.22E-17,-18.36840028,2000008.112,400001.6225,7.254330897,10.67332191,5.460908357,7.901648432,10.82241879,2.164483759,5.472551358,0.2484948,0.067867019,0.013573404,-1.345102542,12.00128137,2.400256273,1.242506712,18.35299542,8.491770774,13.04482709,18.13653657,3.627307313,8.492317957,-1.082294264,0.131666808,0.026333362,-1.013740366,26.88790134,5.377580269,1.645838211,11.0723239,5.622729045,8.099057465,11.17620442,2.235240883,5.632308805,0.173134186,0.045564955,0.009112991,-1.544308193,12.41358514,2.482717029,1.259395725,9.348668008,4.786433652,7.243934167,9.344295875,1.868859175,4.814501047,0.571428571,0.173198573,0.034639715,-0.87665826,11.43910381,2.287820761,1.218518822,0,11.99693555,15.99741702,-0.402844557,0.06949013,4.99268493,5.798514342,5,13,13,13,5,0,0,0,0,0,10.661656,3.534649867,2.459820995,2.301199922,1.19006016,0.713992824,0.083923071,0.083923071,0.083923071,1.724171079,1.465521747,0.757863935,0.584445752,0.083923071,0.083923071,0.083923071,0.083923071,3.491022994,2.510897621,2.197473417,1.30885592,0.497844042,0.270913902,0.270913902,0.270913902,1.655976007,1.480535746,0.62194973,0.449177799,0.270913902,0.270913902,0.270913902,0.270913902,3.66565947,2.734801489,2.534642776,1.778468089,1.135201186,0.943918427,0.943918427,0.943918427,1.452583651,1.182450458,0.172849073,0.065446663,0.943918427,0.943918427,0.943918427,0.943918427,3.492553132,2.548571849,2.194211739,1.39352899,0.439979725,0.399277246,0.399277246,0.399277246,1.612285733,1.48786325,0.531260614,0.360087334,0.399277246,0.399277246,0.399277246,0.399277246,3.706001995,2.841861735,2.613106294,1.978039144,1.208515408,1.207644823,1.207644823,1.207644823,1.38842831,1.140126443,0.016182923,0.237178465,1.207644823,1.207644823,1.207644823,1.207644823,3.820976301,2.732553622,2.634421018,1.577575475,1.384478255,0.666666667,0.666666667,0.666666667,1.528942797,1.156098215,0.349720363,0.115243296,0.666666667,0.666666667,0.666666667,0.666666667,0,0,0,0,0,2,2,0,0,0,0,0.176776695,0,0,0,0,0.102062073,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.535533906,2.5,1.767766953,1.25,0.883883476,0,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0,0,0,3.236675415,2.077350269,1.319479217,0.827350269,0.510310363,0,0,0,0.647335083,0.415470054,0.263895843,0.165470054,0.102062073,0,0,0,6.88211032,12.8820102,12.25098039,12.44,7.674457485,100.2675413,0.529393102,0.990923861,0.942383107,0.956923077,0.590342883,7.712887794,0.7968,20.053,14,18.61803399,28,5.6,14.000001,1.11E-16,2.22E-17,-18.36840028,19.22543377,3.845086753,1.478117039,20,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.522222222,0,0,0,0,0,0,0,0,0,0,0,0,0,4.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,1.277777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.5,1.9,0.45,4.944444444,0.277777778,1,2.195777778,0.5,1.444444444,2.888888889,0.5,1.444444444,2.888888889,2.33333,0.46667,0,0.03333,0.51282,0.85333,0.43333,0.51282,0.85333,0.07949,0,-0.07949,0,0.54687,0.16742,0,0,0,0,3,0.6,3,0.6,0,0,-3,-0.6,0,0,2.97125,0.59425,3.75,0.77875,0.15575,1.99071,0.39814,2.5,0.50929,0.10186,-0.086,-0.0172,0,0,0.384615385,5.01,1,1,1,1,0,0,1,1.238901257,1.546593564,2.16197818,2.16197818,2.16197818,2.16197818,16.10571634,20.10571634,28.10571634,28.10571634,28.10571634,28.10571634,0.334798389,0.41794859,0.584248993,0.584248993,0.584248993,0.584248993,2.461538462,2.153846154,1.538461538,1.538461538,1.538461538,1.538461538,0.334798389,0.41794859,0.584248993,0.584248993,0.584248993,0.584248993,11.26589917,14.95820687,15.57840689,15.57840689,15.57840689,15.57840689,18.28260559,15.69636663,16.43374578,16.43374578,16.43374578,16.43374578,3.2,1.44,0.64,0,0,0,1.79,0.6223,0,0,0,0,4.242640687,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.402,0.394,0.462,0.261,2.485,5,5,5,0,0,0,0,0,0,25,1.791759469,1.791759469,1.791759469,1.791759469,0,0,0,0,0,0,3.258096538,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,8.618033989,12,2.4,6.006204681,0,0,0,13.96759521,2.793519041,1.318370009,9.23,74.1741652,3.321928095,3.044522438,3.713572067,4.394449155,5.081404365,5.771441123,6.463029457,7.155396302,7.848153086,8.541105011,62.013073,2.397895273,0,3.433987204,2.397895273,4.615120517,4.262679877,5.860786223,5.888877958,7.147559271,7.6989362,72.05751488,5.54288576,9.6875,1.9375,2.875,2.875,0,15,0,0.526,20,1.32381402,2.215652368,2.898541822,3.911780143,0,0,0,0,0,0,115.8765269,104.3870609,25.86248133,3.974618979,0,0,0,0,0,0,310.2952519,351.3645104,232.8712978,121.5927742,0,0,0,0,0,0,10.49500968,17.4466941,21.35241214,26.28115407,0,0,0,0,0,0,2.077999953,2.586990757,2.279127772,1.739227933,0,0,0,0,0,0,194.4288821,354.6300057,491.0884207,723.3571993,0,0,0,0,0,0,3.430344672,5.088834073,4.799443134,3.911780143,0,0,0,0,0,0,0.497207669,0.627244541,0.540544713,0.400566287,0,0,0,0,0,0,199.1911769,86.73150727,8.874803944,46.87302054,-20.40937649,-16.57440372,152.3181563,107.1408838,25.44920766,0.809508978,0.352475119,0.036067027,0.190491022,-0.0829433,-0.067358047,49.01381706,21.34151872,2.18377151,11.53377218,-5.022016845,-4.078367348,0.129341162,0.874144515,3.284762567,37.83985785,202.7763231,43.28787427,0.824078941,0.175921059,317.3301829,17.81376386,6.820828459,394.8264715,19.87024085,7.336159318,439.0181948,20.95276103,7.600243498,1.452529858,1.426837716,156.8175878,94.22550879,78.70754181,1.664279555,1.992408659,1.197159848,3.028378772,3.135879074,4.651062929,0.483176749,2.231237239,0.812322797,12.61835777,2.899387394,5.638520027,1.891615829,1.674003163,1.062431324,7.07E-06,5.49E-32,9.65E-80,3.44E-149,2.39E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.187282339,0.81215352,2.037431497,2.153566959,1.310254884,0.143719534,0.063959634,0.007482791,4.98E-08,3.86E-34,6.79E-82,2.42E-151,1.68E-242,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.604497109,0.812165166,3.287970162,1.756808447,1.937848912,0.410953975,0.256895821,0.077976448,5.19E-07,4.03E-33,7.08E-81,2.52E-150,1.75E-241,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.106107785,0.81230433,12.13202819,3.039692624,5.552191747,1.898951279,1.52742858,0.946607182,6.30E-06,4.89E-32,8.60E-80,3.06E-149,2.13E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.89090197,0.812179963,4.441292524,1.666644282,2.37640751,0.583968872,0.429634952,0.169375265,1.13E-06,8.75E-33,1.54E-80,5.48E-150,3.81E-241,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.694535288,0.812400372,15.94525144,3.516136819,7.126875068,2.478667973,2.271214005,1.549456236,1.03E-05,8.00E-32,1.41E-79,5.01E-149,3.49E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.48750243,0.812228564,9.382653002,3.347523004,4.493779252,1.559173215,0.894798048,0.472191699,3.14E-06,2.44E-32,4.29E-80,1.53E-149,1.06E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.061267326,0.856730237,0.523837969,0.598886062,0.248916669,0.559535764,0.427460602,0.546683867,3.441835531,3.29450796,7.661415175,0.398329092,1.533680233,1.216742779,1.163562009,0.112371329,0.488127106,0.466792297,0.377133514,0.414505088,0.020576688,2.492676117,1.683233685,4.335000149,0.432379104,0.812215289,1.623051803,0.826078765,0.279427559,0.594838639,0.302752856,0.347152956,0.378481954,0.140138596,2.728558128,2.025123206,5.12832904,0.392257958,0.865773506,1.986954389,0.940102354,0.504087468,0.579093814,0.273990918,0.520023173,0.497365881,0.474622301,3.431144211,3.343433121,7.716182728,0.368640722,1.492011355,1.813764293,0.717696997,0.358110934,0.627693012,0.248374826,0.433264246,0.297789883,0.252550482,2.889572224,2.208277154,5.564014265,0.441539518,0.983604611,2.101306637,0.887612243,0.55279418,0.593302337,0.250616644,0.58148388,0.457981328,0.607129002,3.54171306,3.517402458,8.090157094,0.389953506,1.64659421,2.018505443,0.89947747,0.511691315,0.58854145,0.262263239,0.536613413,0.461119813,0.502649725,3.429674228,3.308706684,7.667407752,0.382812175,1.500382951 +UMLMON0059,L,tetrahydrofuran,C1CCOC1,8028,,UML,[1],C4H8O,PubChem,,64.8,0,-0.2605,0.06786025,20.7397,10.509172,5,5,9,5,4,0,4,0,1,0,0,0,0,0,0,0,837.088741,865.548693,922.016853,107.944704,3.048192,0,0,0,0,2034.793362,2334.956175,2728.456669,945.6981928,93.25123329,0,0,0,0,70.387636,71.159844,104.337444,81.80352,20.155392,0,0,0,0,13.57725562,15.49955724,18.79618183,9.084640547,1.333838715,0,0,0,0,1432.299318,1299.559916,1976.173565,1843.856796,554.7529561,0,0,0,0,32.25,34,45,22,3,0,0,0,0,93.00986011,96.172077,70.92437331,9.813154909,1.016064,0,0,0,0,226.0881513,259.439575,209.8812822,85.97256298,31.08374443,0,0,0,0,7.820848444,7.906649333,8.025957231,7.436683636,6.718464,0,0,0,0,1.508583958,1.722173027,1.445860141,0.825876413,0.444612905,0,0,0,0,159.1443687,144.3955462,152.0133511,167.6233451,184.917652,0,0,0,0,3.583333333,3.777777778,3.461538462,2,1,0,0,0,0,0.136858249,-0.028200221,-0.041071817,-0.018667623,0.019510537,0,0,0,0,322.1770049,17.73507911,-151.173756,-156.588863,128.9390374,0,0,0,0,452.624706,-42.96737003,-177.7690357,-182.6866832,177.110736,0,0,0,0,0.909854222,-0.029459556,-0.343846321,-0.185905827,0.104284593,0,0,0,0,2.132178699,-0.470728745,-0.670413716,-0.562213346,0.637266458,0,0,0,0,12.18978678,-3.067779077,-3.57496097,-2.678236145,3.226082803,0,0,0,0,5.555555556,0.416666667,-2.552469136,-2.206790123,1.564814815,0,0,0,0,0.015206472,-0.003133358,-0.003159371,-0.001697057,0.006503512,0,0,0,0,35.79744499,1.970564346,-11.62875046,-14.23535118,42.97967912,0,0,0,0,50.291634,-4.774152226,-13.67454121,-16.60788029,59.03691199,0,0,0,0,0.101094914,-0.003273284,-0.026449717,-0.01690053,0.034761531,0,0,0,0,0.236908744,-0.052303194,-0.051570286,-0.051110304,0.212422153,0,0,0,0,1.354420753,-0.340864342,-0.274996998,-0.243476013,1.075360934,0,0,0,0,0.617283951,0.046296296,-0.19634378,-0.200617284,0.521604938,0,0,0,0,-0.206054231,-0.20776486,-0.111600944,0.427680548,0,0,0,0,0.055047626,-0.324848616,-0.397663889,1.200635384,0,0,0,0,-0.094929352,-0.27190489,-0.330231471,1.173891308,0,0,0,0,-0.032378325,-0.26163252,-0.167174877,0.343850443,0,0,0,0,-0.22077359,-0.217679959,-0.215738361,0.89664125,0,0,0,0,-0.251667985,-0.20303661,-0.179763942,0.793963716,0,0,0,0,0.075,-0.318076923,-0.325,0.845,0,0,0,0,1.015496904,1.296964181,0.905655042,0.012596016,0,0,0,0,0.711923799,1.153369336,1.327171313,0,0,0,0,0,0.951886963,1.07853411,1.219279445,0,0,0,0,0,0.85180532,1.368574945,0.958388894,0,0,0,0,0,1.153237743,1.094143474,1.036090469,0,0,0,0,0,1.202668776,1.108625819,0.978531397,0,0,0,0,0,0.68,1.273846154,1.210909091,0,0,0,0,0,7.059295148,3.654647574,5.260065614,7.209295148,1.44185903,3.733211533,0.25,0.060936701,0.01218734,-1.398959824,11.91397411,2.382794823,1.238856003,7.062030348,3.655647964,5.261272757,7.211589696,1.442317939,3.734113067,0.249265579,0.060729794,0.012145959,-1.400660434,11.91710332,2.383420664,1.238987311,9.537593422,4.569299472,6.774279553,9.298196735,1.859639347,4.59700026,-0.398994478,0.055196492,0.011039298,-1.448427941,25.36405053,5.072810106,1.616666419,7.064901142,3.656697971,5.262541027,7.213998022,1.442799604,3.735059475,0.2484948,0.060512788,0.012102558,-1.402450283,11.92040247,2.384080493,1.239125712,12.35003008,5.586313078,8.859416232,12.13357123,2.426714246,5.596609067,-1.082294264,0.090838941,0.018167788,-1.199333607,25.14106214,5.028212428,1.612251226,7.346494682,3.759814434,5.39338701,7.450375193,1.490075039,3.828750437,0.173134186,0.040067676,0.008013535,-1.608592683,12.32234724,2.464469449,1.255707232,6.462139427,3.414050254,5.002262825,6.656671937,1.331334387,3.521353774,0.428571429,0.114496007,0.022899201,-1.083607664,11.50376624,2.300753248,1.22133724,0,11.85,15.99491564,-0.325173008,0.160017024,4.9344879,5.55988894,5,9,7,4,0,2,0,0,0,5,6.288828,3.735219643,2.224169807,2.176736773,0.684205018,0.416640671,0.259831927,0.383312778,1.344145175,1.581960777,1.344145175,0.383312778,0.259831927,0.416640671,0.684205018,2.176736773,2.224169807,3.648620057,2.259742497,2.007138501,0.824552762,0.386347858,0.109930173,0.231894637,1.450804464,1.53531769,1.450804464,0.231894637,0.109930173,0.386347858,0.824552762,2.007138501,2.259742497,3.796132057,2.429892988,2.326110288,1.369277282,1.03943523,0.459993718,0.270959397,1.178426786,1.407037685,1.178426786,0.270959397,0.459993718,1.03943523,1.369277282,2.326110288,2.429892988,3.630338281,2.28674448,1.969563575,0.92401932,0.419687993,0.011338001,0.130533276,1.504712965,1.506420904,1.504712965,0.130533276,0.011338001,0.419687993,0.92401932,1.969563575,2.28674448,3.801709055,2.519318628,2.367509597,1.595644291,1.208080106,0.650401609,0.445260153,1.178279776,1.369678298,1.178279776,0.445260153,0.650401609,1.208080106,1.595644291,2.367509597,2.519318628,3.852844268,2.376926868,2.309555775,1.003685811,0.803735291,0.10753406,0.052621817,1.166295615,1.485364641,1.166295615,0.052621817,0.10753406,0.803735291,1.003685811,2.309555775,2.376926868,0,0,2,2,0,0,0,0,0,0,0,0.176776695,0,0,0,0,0.045360921,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.535533906,2.5,1.767766953,1.25,0.883883476,0,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0,0,0,2.717649367,1.471404521,0.79314847,0.425380792,0.226804606,0,0,0,0.543529873,0.294280904,0.158629694,0.085076158,0.045360921,0,0,0,5.798454712,9.106336489,8.8,8.92,6.077348503,67.69642036,0.644272746,1.011815165,0.977777778,0.991111111,0.675260945,7.521824484,1.2796,18.708,14,18.61803399,28,5.6,14.000001,1.11E-16,2.22E-17,-18.36840028,19.22543377,3.845086753,1.478117039,20,0,0,1,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.583333333,6.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.341666667,0,0,0,0,2.341666667,0,0,0,0,0,0,0,0,0,0,0,0,0,6.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.583333333,1.625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.533333333,0,0,0,0,0.533333333,0,0,0,0,0,0,0,0,0,0,0,0,0,1.625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.583333333,1.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.6375,0,0,0,0,0.6375,0,0,0,0,0,0,0,0,0,0,0,0,0,1.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.5,2.3,0.6375,4.583333333,0.458333333,1.625,2.068083333,0.375,1.083333333,2.166666667,0.375,1.083333333,2.166666667,2.33333,0.46667,0,0.03333,0.60741,0.85333,0.43333,0.51282,0.85333,0.17407,0.09459,-0.07949,0,0.54687,0.16742,0,0,0,0,8,1.6,3,0.6,5,1,2,0.4,0,0,1.09208,0.21842,3.75,2.65792,0.53158,0.72903,0.14581,2.5,1.77097,0.35419,-0.086,-0.0172,0,0,0.555555556,5.01,0,1,1,1,0,0,0,1.392147224,1.836591668,2.281036113,2.281036113,2.281036113,2.281036113,12.52932501,16.52932501,20.52932501,20.52932501,20.52932501,20.52932501,0.439173552,0.579380164,0.719586776,0.719586776,0.719586776,0.719586776,1.777777778,1.333333333,0.888888889,0.888888889,0.888888889,0.888888889,0.395096565,0.521231552,0.64736654,0.64736654,0.64736654,0.64736654,12.39726651,17.73059985,18.17852208,18.17852208,18.17852208,18.17852208,17.3767778,16.47051112,16.31946668,16.31946668,16.31946668,16.31946668,3.2,1.44,0.64,0,5,0,1.79,0.5363,0,0,0,0,4.242640687,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.162,0.172,0.477,0.395,2.063,5,5,5,0,0,0,0,0,0,25,2.140066163,2.505525937,2.883403089,3.270044111,0,0,0,0,0,0,4.203759348,2.6375,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,8.618033989,12,2.4,6.006204681,0,0,0,13.96759521,2.793519041,1.318370009,13.14,58.0012478,3.321928095,3.044522438,3.713572067,4.394449155,5.081404365,5.771441123,6.463029457,7.155396302,7.848153086,8.541105011,62.013073,2.397895273,0,3.433987204,2.397895273,4.615120517,4.262679877,5.860786223,5.888877958,7.147559271,7.6989362,68.02621475,7.558468305,9.6875,1.9375,2.875,2.875,0,15,0,0.709,20,1.412175807,2.512718459,3.43166515,4.50148783,0,0,0,0,0,0,157.2885454,184.6982928,35.22044638,4.57379973,0,0,0,0,0,0,401.0111539,535.7115696,303.2802733,139.9230973,0,0,0,0,0,0,11.39059948,20.22417311,25.69499798,30.24308393,0,0,0,0,0,0,2.566895212,3.659337085,2.883001911,2.00141958,0,0,0,0,0,0,202.043942,381.2910923,573.1499199,832.4045601,0,0,0,0,0,0,5.811861342,8.845447592,7.064010872,4.50148783,0,0,0,0,0,0,0.60513871,0.879363638,0.687433336,0.460952354,0,0,0,0,0,0,200.8612279,80.06558415,13.18650877,86.95010531,-34.65930706,-15.03834651,113.9111226,114.7248912,28.22485527,0.697892003,0.278187739,0.045816503,0.302107997,-0.120423705,-0.05225071,57.81013778,23.04378252,3.795226668,25.02522573,-9.975341372,-4.328206557,0.224688991,0.815738399,7.734223576,33.4995396,246.7448104,41.06652283,0.857314435,0.142685565,332.070227,18.22279416,6.924843768,371.6676205,19.27868306,7.189823719,452.9411084,21.28241313,7.679752893,2.652708233,2.652708233,148.0086833,84.99932807,66.72113131,1.741292392,2.218317951,1.273949143,2.951952922,3.378611815,4.710721683,0.394277277,1.442268342,0.812152601,2.620162733,3.620746427,1.445178595,1.424981849,1.648071044,0.441600329,2.32E-04,8.81E-28,6.45E-73,9.12E-140,2.48E-228,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.121069842,0.888408023,1.387038561,2.152808305,1.369373793,0.127745069,0.077853558,0.003110228,1.64E-06,6.21E-30,4.55E-75,6.42E-142,1.75E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.390754298,0.746651208,1.113319114,1.814165411,0.835020717,0.363431509,0.197043865,0.032410967,1.70E-05,6.47E-29,4.74E-74,6.69E-141,1.82E-229,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.3613857,0.888094674,3.05594735,3.675819786,1.752186515,1.43642559,1.699223198,0.393457945,2.07E-04,7.85E-28,5.75E-73,8.12E-140,2.21E-228,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.575884335,0.692780837,1.02839837,1.790232558,0.657080542,0.508218014,0.283242589,0.070400949,3.70E-05,1.41E-28,1.03E-73,1.45E-140,3.96E-229,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.741741207,0.860241629,3.347078111,4.564654318,1.74810031,1.794886725,2.404818475,0.644032577,3.39E-04,1.29E-27,9.41E-73,1.33E-139,3.62E-228,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.72115102,0.984402089,2.707728231,2.878864317,1.974078728,0.822255616,0.807243558,0.110400087,5.80E-05,2.20E-28,1.61E-73,2.28E-140,6.21E-229,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.003754311,1.573404801,0.082310067,0.547553269,0.42995438,0.41061903,0.455164521,0.382564864,3.659469179,3.447152858,7.366122356,0.466261473,1.248348415,1.321396935,0.956279231,0.029049939,0.572845182,0.414561238,0.374012107,0.116418421,0.042259659,2.306726105,1.329790799,3.673225117,0.48110963,0.532690187,1.393993457,1.218777078,0.046415936,0.524218016,0.458327045,0.200217554,0.273542568,0.121662166,2.659186471,1.820241462,4.558287089,0.473817592,0.595422288,1.91393627,1.595851615,0.079414526,0.533248352,0.444625695,0.381559491,0.469419297,0.360254405,3.589202411,3.333086429,7.164849257,0.46681107,1.211233193,1.604876669,1.238492061,0.055494899,0.553622686,0.42723364,0.266866022,0.286552914,0.17072228,2.898863629,2.145419475,5.154586264,0.47128449,0.724141216,2.083195964,1.645949933,0.087839865,0.545769907,0.431217205,0.444030835,0.497332836,0.437429374,3.816985761,3.756403927,7.874578201,0.465480668,1.378793046,1.947655446,1.568301283,0.079948122,0.54163153,0.436135367,0.388488133,0.45157534,0.363057295,3.595904851,3.335604672,7.175711904,0.466650346,1.203120768 +UMLMON0060,L,Furan,C1=COC=C1,8029,Sandia values and co-optima values are from co-optima api report therefore we should go with UML values ,"Sandia, UML",[1],C4H4O,PubChem,,91.6,0,0.5033,0.25331089,30.6961,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1621.430308,1203.965249,847.95216,816.150476,245.0952,18.289152,0,3346.887898,3979.09551,4899.824225,4643.246774,3570.567584,2868.375069,1962.172413,559.5073998,0,152.568096,145.6753,259.389256,293.345948,292.218312,156.107072,162.393984,120.932352,0,23.35516286,28.53615172,36.92210936,36.93989672,30.00232075,22.59436852,17.90497835,8.003032287,0,3350.680532,2804.677982,5515.919437,6245.455709,6817.206589,3386.191035,3503.329189,3328.517736,0,92.05555556,55.75,100.8333333,105.0555556,84.83333333,65,69,18,0,69.4856748,68.35965826,47.68912671,31.68329603,21.74236308,38.86430838,11.6712,1.016064,0,167.3443949,209.4260795,144.1124772,122.1907046,91.55301496,136.589289,93.43678159,31.08374443,0,7.6284048,7.667121053,7.629095765,7.719630211,7.492777231,7.433670095,7.733046857,6.718464,0,1.167758143,1.501902722,1.085944393,0.972102545,0.769290276,1.07592231,0.852618017,0.444612905,0,167.5340266,147.6146306,162.2329246,164.3540976,174.8001689,161.2471921,166.8251995,184.917652,0,4.602777778,2.934210526,2.965686275,2.764619883,2.175213675,3.095238095,3.285714286,1,0,0.263116967,-0.162117433,0.082071018,-0.026709359,-0.062814774,0.067153598,-0.04315207,0.014010537,0,715.056216,-13.739645,163.134436,-427.438063,92.5056,-5.036836,-581.6736,414.72,0,931.2646053,-148.2416011,14.65790436,-550.1561811,454.5628667,-108.20832,-656.0019276,527.7549561,0,1.9334688,0.00145024,0.78334624,-0.78457312,-0.62124336,0.00120896,-0.76498704,0.41806368,0,4.097118945,-1.072153629,-0.37144502,-2.134537625,2.527921306,-0.81440452,-1.96412975,1.780189767,0,23.01673804,-6.548761719,-2.425366892,-11.36133107,14.29870308,-5.009766563,-9.268802119,8.806956266,0,37.60555556,-1.9725,14.92333333,-13.13944444,-7.264166667,3.3725,-22.3275,7.605,0,0.013155848,-0.008532496,0.002413853,-7.03E-04,-0.001610635,0.00319779,-0.00205486,7.78E-04,0,35.7528108,-0.723139211,4.798071647,-11.24837008,2.371938462,-0.239849333,-27.69874286,23.04,0,46.56323026,-7.80218953,0.431114834,-14.47779424,11.65545812,-5.152777144,-31.23818703,29.31971978,0,0.09667344,7.63E-05,0.023039595,-0.020646661,-0.015929317,5.76E-05,-0.036427954,0.02322576,0,0.204855947,-0.056429138,-0.010924854,-0.056172043,0.064818495,-0.038781168,-0.093529988,0.098899431,0,1.150836902,-0.344671669,-0.07133432,-0.298982397,0.366633412,-0.238560313,-0.441371529,0.489275348,0,1.880277778,-0.103815789,0.438921569,-0.345774854,-0.186260684,0.160595238,-1.063214286,0.4225,0,-0.648570602,0.183481399,-0.053427027,-0.122427318,0.243069872,-0.156193688,0.059164801,0,-0.02022608,0.134201243,-0.314614986,0.066342713,-0.006708545,-0.774729098,0.644424857,0,-0.167561174,0.009258697,-0.310927617,0.250314638,-0.110661935,-0.670876716,0.629675382,0,7.90E-04,0.238323942,-0.213571184,-0.164774492,5.96E-04,-0.376814503,0.240249649,0,-0.275457653,-0.053329443,-0.274202646,0.316410121,-0.189309455,-0.456564671,0.482775496,0,-0.299496539,-0.061984735,-0.259795629,0.318579819,-0.207292895,-0.383522225,0.425147427,0,-0.055213007,0.233434429,-0.183895623,-0.099060195,0.085410379,-0.565455965,0.224700842,0,1.626284851,0.877557017,1.196300779,1.140924346,0.913269383,0.955461509,0.003601188,0,1.04922138,0.856572671,1.328570774,0.865319738,0.928224413,1.772164338,0,0,1.505949528,1.026726295,1.272401598,0.536946093,1.167607284,1.555540651,0,0,0.713221749,0.731396338,1.395831678,1.258537333,0.705180983,1.649902423,0,0,1.749688453,1.117530992,1.251115475,0.412504144,1.279633595,1.345595739,0,0,1.787392882,1.13157774,1.250004176,0.406007317,1.293015694,1.289434213,0,0,0.617521052,0.458393802,1.19995568,0.942295381,1.082666779,2.742755841,0,0,31.73089566,16.11544783,25.06810706,32.10589566,4.013236958,16.11544819,0.5,0.106231617,0.013278952,-1.793706803,33.77855069,4.222318836,2.815860805,31.74443601,16.12148359,25.07874471,32.11833438,4.014791798,16.12148394,0.498531158,0.106035978,0.013254497,-1.79518146,33.73686129,4.217107662,2.814872837,43.80026493,21.50113799,34.79157075,43.20177322,5.400221652,21.50113799,-0.797988956,0.010577105,0.001322138,-3.639250784,26.56475504,3.32059438,2.623668271,31.75864707,16.12781833,25.08991028,32.13138927,4.016423658,16.12781869,0.4969896,0.10583087,0.013228859,-1.796730423,33.69348351,4.211685439,2.813843561,56.64329581,27.23935364,45.37979737,55.01985441,6.877481802,27.23935364,-2.164588529,0.070159726,0.008769966,-2.125584669,27.08061285,3.385076606,2.639054463,33.14989579,16.74808208,26.18767968,33.40959707,4.176199633,16.74808226,0.346268372,0.086798165,0.010849771,-1.955335841,30.73574876,3.841968595,2.740341145,33.03058453,16.78871298,26.51903109,33.57850119,4.197312649,16.7887132,1.095833333,0.266467366,0.033308421,-1.058002797,25.22851187,3.153563983,2.582379823,0,11.89,15.99591765,-0.31559545,0.301600005,3.721746516,7.131568055,7,19,18,18,6,1,1,0,0,1,15.992484,3.522630065,3.258381157,2.470312104,2.333552793,2.062972223,1.228347023,0.873294474,0.083923071,1.831605205,1.558431985,1.249629723,1.157459134,0.490035191,0.378655302,0.083923071,0.083923071,3.452165883,3.182733654,2.444405098,2.405454588,1.95884205,1.177468332,0.601748242,0.270913902,1.795518836,1.559749519,1.134540686,1.094828256,0.61826556,0.235747272,0.270913902,0.270913902,3.62505275,3.385882231,2.743244102,2.704236987,2.338630486,1.645015008,1.224475737,0.943918427,1.588670208,1.304440663,0.76031856,0.728433467,0.201931579,0.298174876,0.943918427,0.943918427,3.455494751,3.162900118,2.464136652,2.457539916,1.941228911,1.243819504,0.459576293,0.399277246,1.782501309,1.55946311,1.058262671,1.050414563,0.640585386,0.136603837,0.399277246,0.399277246,3.659147047,3.417434266,2.839146137,2.838982085,2.401923931,1.826262654,1.208936353,1.207644823,1.54205472,1.271648549,0.631337262,0.631185395,0.143853842,0.485243556,1.207644823,1.207644823,4.75330429,3.481806505,2.959777136,2.700638745,2.612600818,1.77309196,1.248289134,0.571428571,1.709567043,1.239126283,0.898315104,0.884192385,0.048058989,0.106894073,0.571428571,0.571428571,0,0,1,0,0,4,0,1,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.491581624,0,0,0,0.577350269,0.333333333,0.666666667,0.225592232,0.117354024,0.185395406,6.568914101,3.625897658,3.365043969,1.321367205,0.666666667,0.666666667,0,0,0.821114263,0.51798538,0.420630496,0.264273441,0.166666667,0.166666667,0,0,5.600953631,2.759872254,2.196432708,0.619929799,0.284020691,0.234708048,0,0,0.700119204,0.394267465,0.274554088,0.12398596,0.071005173,0.058677012,0,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.2055,31.471,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,56,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.79032407,-0.195648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.547083333,0.5125,0,0,0,0,0,0,0,0,0,0,5.424861111,0,0.537037037,0,0,0,0.443425926,0,0,-0.195648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.12597222,4.664351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.664351852,-0.195648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.307222222,0.5125,0,0,0,0,0,0,0,0,0,0,1.419027778,0,0.537037037,0,0,0,0.443425926,0,0,-0.195648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.12597222,4.664351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.12597222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,2.002916667,0,0.537037037,0,0,0,0.443425926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.12597222,4.664351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21,2.625,0.635763889,10.12597222,0.243055556,-0.195648148,2.818434259,1.862314815,3.125972222,8.592314815,1.862314815,3.125972222,8.592314815,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.5,0.27273,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,6.04835,0.75604,8.87961,2.83126,0.35391,2.51961,0.31495,3.62588,1.10628,0.13828,0.28812,0.03601,0.28812,0.03601,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,2.070950594,3.10869497,3.00869497,2.946439345,2.67650216,25.90923688,41.41901189,62.17389939,60.17389939,58.92878689,53.5300432,0.299741647,0.479172848,0.719284287,0.696146466,0.681741871,0.619284287,3.026466251,2.2509775,1.213233125,1.313233125,1.37548875,1.645425935,0.299741647,0.479172848,0.719284287,0.696146466,0.681741871,0.619284287,12.01211119,21.71746765,22.76333241,21.56333241,22.59980713,16.71373201,29.38046565,17.93632218,17.86882451,19.26198137,18.27863607,14.84347485,8,3.9375,7.2,8,3,3,1.9,1.0284,0.814325285,1.310370697,3,0,0,1.414213562,0,0.333333333,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.426,0.519,0.065,3.13,8,5,4,4,0,0,0,0,0,36,2.197224577,2.397895273,1.945910149,1.791759469,1.945910149,0,0,0,0,0,3.784189634,1.194444444,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,5,0.666666667,2.5,0.666666667,0.25,0.32,0,0,0,0,0,0,0.357142857,0.083333333,0.05,0.08,0,0,0,0,0,0,0.57047619,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,26.3,127.2763612,4,3.433987204,4.043051268,4.779123493,5.424950017,6.150602768,6.814542897,7.529943371,8.204398418,8.912338567,70.292938,2.708050201,0,3.850147602,0,5.105945474,0,6.408528791,0,7.738488122,8.049746291,116.0837296,5.804186481,14.50192071,1.812740089,5.187384288,5.187384288,0,74,5,1.319,30,1.230631579,2.106969338,2.891394189,3.534280412,4.70866819,5.445084558,6.043125667,0,0,0,94.58963281,111.4719746,98.19792716,89.49677329,193.5969383,63.67120234,6.140202438,0,0,0,279.0386343,327.0398364,369.304079,358.3677751,673.8222885,516.863806,187.8429738,0,0,0,9.500427541,16.20575331,22.3546341,26.49594064,35.05156906,41.85973882,40.60052224,0,0,0,1.953218228,2.41165857,2.902557631,2.93763535,5.258026931,4.743423404,2.686851657,0,0,0,180.0610686,338.2248173,472.7925657,611.1885011,753.7051487,903.0653125,1117.480609,0,0,0,3.700763158,6.618384046,8.072776514,7.67289162,14.75681212,17.37342364,6.043125667,0,0,0,0.448387105,0.580936933,0.714285757,0.712590466,1.226809629,1.156212646,0.618816068,0,0,0,365.9441333,265.5177252,12.41733603,148.2352149,-107.5548792,-17.59424438,217.7089184,373.0726045,30.0115804,0.711705234,0.516391267,0.024149815,0.288294766,-0.20917775,-0.034218108,188.1609159,136.5237309,6.384737744,76.21948616,-55.30249769,-9.046597104,0.356033055,0.434911676,1.948236147,2.526701316,461.8310716,52.34827657,0.898190628,0.101809372,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,991.881167,31.49414496,9.972863652,1.643851874,1.643851874,552.7014709,477.7378699,114.048935,1.156913667,4.846178273,4.188884972,4.103894073,4.208298788,7.348221114,0.746126281,3.360032699,4.293013073,3.504398044,12.93381634,3.824305707,4.264564764,4.413597623,5.729413631,2.008295237,5.120155455,3.136939542,4.009776634,0.515527032,0.199769212,7.10E-19,4.87E-58,6.44E-119,1.64E-201,8.08E-306,0,0,0,0,0,0,0,0,0,0,0,0.298491782,4.443993404,0.304848237,6.166463103,0.285963536,1.480691179,2.239329552,0.616584963,0.332639884,0.343977924,1.082407555,0.126688863,0.003630989,0.001406991,5.00E-21,3.43E-60,4.54E-121,1.16E-203,5.69E-308,0,0,0,0,0,0,0,0,0,0,0,0.91615042,4.162909882,0.708127691,5.93816184,0.553551875,1.886736894,1.902006801,1.260705174,0.633779091,0.823708076,1.375433557,0.547226043,0.037836998,0.01466193,5.21E-20,3.57E-59,4.73E-120,1.21E-202,5.93E-307,0,0,0,0,0,0,0,0,0,0,0,3.176711882,4.443578521,3.785973304,13.53020203,4.140046848,4.052629791,4.668539044,5.685817906,1.921683843,5.449326303,2.966464908,3.640425854,0.459325366,0.177990771,6.33E-19,4.34E-58,5.74E-119,1.46E-201,7.20E-306,0,0,0,0,0,0,0,0,0,0,0,1.342655413,4.056106829,0.918748019,6.170155128,0.702175944,2.21223836,1.883870222,1.732457344,0.854203784,1.098051951,1.614101992,0.946391022,0.082186795,0.031847671,1.13E-19,7.76E-59,1.03E-119,2.62E-202,1.29E-306,0,0,0,0,0,0,0,0,0,0,0,4.057749124,4.388478536,4.794092697,16.0412393,5.55395065,5.163870431,5.649292984,7.600812534,2.418609724,7.255431511,3.818881215,5.526773361,0.751847432,0.291344621,1.04E-18,7.10E-58,9.39E-119,2.40E-201,1.18E-305,0,0,0,0,0,0,0,0,0,0,0,2.084250999,4.145853739,2.727349975,16.56119818,3.066735376,2.640305289,5.839345454,4.835976509,1.496275855,6.371391772,2.380750416,1.727449384,0.168335739,0.065230763,2.32E-19,1.59E-58,2.10E-119,5.37E-202,2.64E-306,0,0,0,0,0,0,0,0,0,0,0,5.246219739,1.235661534,0.504843958,0.750883936,0.17685847,0.535022762,0.460545602,0.437019916,6.986725231,9.754890527,20.01429293,0.626325904,1.432588279,4.146190481,0.841072677,0.168310457,0.804215164,0.163138525,0.36357879,0.216882457,0.044682374,5.155573615,4.326656069,10.06916991,0.706322746,0.625143621,4.661931703,0.970242092,0.301703296,0.785646826,0.163508963,0.430144192,0.294516089,0.157611902,5.933877091,6.222447766,13.52098992,0.678470239,0.882272183,5.133749376,1.229215348,0.489004931,0.749237027,0.179395912,0.515063629,0.46206025,0.411499455,6.851969655,9.42200465,19.35983186,0.623855541,1.388623334,4.924704547,1.034956281,0.364324296,0.778734366,0.163655711,0.473396442,0.327852502,0.229974862,6.323985124,7.268103142,15.44899598,0.668101549,1.031223805,5.296809362,1.271467903,0.529225181,0.746292009,0.179143003,0.545205995,0.486758455,0.479582267,7.097502445,10.21082081,20.87250831,0.619438014,1.511546717,5.189226436,1.247441552,0.493780921,0.748757621,0.179994336,0.526571189,0.476516444,0.41982378,6.930448909,9.651560528,19.77838008,0.623136431,1.422911413 +UMLMON0061,L,"2-Methylpropyl ester, acetic acid",CC(C)COC(=O)C,8038,"""2-methylpropylacetate""","Sandia, UML",[11],C6H12O2,UML,smiles code is result of acetic acid reacting with isobutyl alcohol (esterification) to produce 2-methylpropyl ester aka isobutyl ethanoate,112.3,0,-1.0318,1.06461124,29.9531,22.457102,0,0,22,8,14,0,7,0,1,0,0,0,0,0,0,0,1280.041744,1227.247947,1382.165159,1110.286345,871.245024,674.488295,477.731566,127.119888,9.144576,3616.181511,4450.143542,5558.086517,5261.104989,4194.768219,3187.969874,2181.171529,1120.963057,279.7536999,160.193824,154.923828,281.542892,350.83678,299.84916,236.96426,174.07936,111.43008,60.466176,26.39008467,33.66236034,45.56728387,45.44269842,37.48454303,28.46301417,19.44148531,10.95324725,4.001516144,3661.858907,3057.825133,6158.531007,7977.410827,7052.408754,5573.453599,4094.498444,2583.794029,1664.258868,82.77777778,51.25,82.33333333,106.5833333,79.33333333,67.16666667,57.5,39,9,58.18371564,58.44037843,35.44013228,23.13096552,20.74392914,20.43903924,19.90548192,8.4746592,1.016064,164.3718869,211.9115972,142.5150389,109.6063539,99.87543379,96.6051477,90.88214705,74.73087045,31.08374443,7.281537455,7.377325143,7.219048513,7.309099583,7.139265714,7.180735152,7.253306667,7.428672,6.718464,1.199549303,1.60296954,1.168391894,0.946722884,0.89248912,0.862515581,0.810061888,0.730216483,0.444612905,166.4481321,145.6107206,157.9110515,166.1960589,167.9144941,168.8925333,170.6041018,172.2529352,184.917652,3.762626263,2.44047619,2.111111111,2.220486111,1.888888889,2.035353535,2.395833333,2.6,1,0.130042668,-0.042913628,0.007138899,-0.034234336,9.40E-04,0.002579621,0.017319699,-0.022255787,0.00640401,687.3645011,-46.5210804,-72.60977875,-221.8907881,16.29493174,13.910715,11.52649826,-201.8222386,157.4294903,1066.90404,-96.33311012,-292.1129994,-212.2517092,10.42921586,10.11149942,9.793782976,-205.448519,242.3598194,1.085692364,-0.003217983,0.098766083,-0.341654612,-0.022351603,-0.041345455,-0.060339306,-0.257861157,0.085157851,4.734521863,-0.459492824,-1.753681784,-0.487085141,-0.038301025,-0.039038854,-0.039776682,-0.502546511,0.95266189,26.12162368,-2.544279046,-10.26560835,-1.972169627,-0.371318606,-0.383189342,-0.395060079,-2.098475248,4.969288461,34.27272727,-0.449724518,4.243801653,-10.31473829,-1.79338843,-2.621212121,-0.20661157,-8.110192837,2.115702479,0.00591103,-0.002043506,1.83E-04,-7.13E-04,2.24E-05,7.82E-05,7.22E-04,-0.001483719,7.12E-04,31.24384096,-2.215289543,-1.861789199,-4.622724752,0.387974565,0.421536818,0.480270761,-13.4548159,17.49216559,48.49563818,-4.587290958,-7.490076907,-4.421910608,0.248314663,0.306409073,0.408074291,-13.69656794,26.92886883,0.049349653,-1.53E-04,0.002532464,-0.007117804,-5.32E-04,-0.001252893,-0.002514138,-0.017190744,0.009461983,0.215205539,-0.021880611,-0.0449662,-0.010147607,-9.12E-04,-0.001182996,-0.001657362,-0.033503101,0.105851321,1.187346531,-0.121156145,-0.263220727,-0.041086867,-0.008840919,-0.011611798,-0.016460837,-0.13989835,0.552143162,1.55785124,-0.021415453,0.108815427,-0.214890381,-0.042699725,-0.07943067,-0.008608815,-0.540679522,0.235078053,-0.345710643,0.030967306,-0.120658377,0.00378706,0.013224487,0.122086012,-0.25100854,0.120377765,-0.07090324,-0.059588999,-0.147956353,0.012417633,0.013491837,0.015371694,-0.430638983,0.559859641,-0.094591826,-0.154448466,-0.091181615,0.00512035,0.006318281,0.00841466,-0.282428863,0.555284348,-0.003105134,0.051316747,-0.144232107,-0.010783886,-0.025388072,-0.050945399,-0.34834579,0.191733536,-0.101673083,-0.208945363,-0.047153094,-0.00423748,-0.00549705,-0.007701297,-0.155679546,0.491861508,-0.102039415,-0.22168821,-0.034603939,-0.007445947,-0.00977962,-0.013863549,-0.117824364,0.465022761,-0.01374679,0.069849691,-0.137940245,-0.027409372,-0.050987327,-0.005526083,-0.347067492,0.15089891,1.102779345,0.747219064,1.270405729,0.78093421,0.925698295,1.111637904,1.843255234,0.005021832,1.244484016,1.05569469,1.133228943,0.873779649,0.88791681,0.912656843,1.426332617,0,1.493214171,1.267214504,1.015778816,0.891219282,0.865720914,0.82109877,1.05049221,0,0.532603912,0.53828678,1.397899097,0.796636348,0.986099193,1.317659171,2.273277111,0,1.567567372,1.344764791,0.96903397,0.892000022,0.864727245,0.816999884,0.900908704,0,1.571413854,1.354213064,0.962198666,0.890357717,0.866817451,0.825621983,0.879035732,0,0.537356322,0.500790655,1.398858864,0.803603006,1.01193634,1.290354222,2.328381963,0,38.48821105,19.36910553,31.20270986,38.67571105,4.834463881,19.36910554,0.25,0.128049772,0.016006221,-1.644269,36.54814632,4.56851829,2.878904375,38.49003605,19.36965081,31.20343009,38.67698523,4.834623154,19.36965083,0.249265579,0.128025474,0.016003184,-1.644420813,36.54564474,4.568205593,2.878849616,40.11561809,19.8583118,31.86308443,39.81637223,4.977046528,19.85831181,-0.398994478,0.105249425,0.013156178,-1.801137812,34.67768391,4.334710489,2.836877092,38.49195144,19.37022312,31.20418603,38.67832254,4.834790318,19.37022313,0.2484948,0.127999971,0.015999996,-1.644580193,36.54302033,4.567877541,2.878792165,41.85664283,20.38717428,32.61453841,41.04492213,5.130615266,20.38717429,-1.082294264,0.077953027,0.009744128,-2.041319081,33.38002212,4.172502765,2.806366065,38.67943632,19.42628525,31.27841353,38.80928696,4.85116087,19.42628527,0.173134186,0.125489424,0.015686178,-1.660427033,36.29137075,4.536421343,2.873263994,42.92529297,21.49724112,35.34947233,43.25068979,5.406336224,21.49724113,0.650793651,0.1682138,0.021026725,-1.42601559,42.15105476,5.268881845,2.993007767,0,11.89,15.99491639,-0.29950256,0.191097625,4.075949464,7.093772518,7,21,20,20,6,1,1,0,0,1,16.262898,3.543250725,3.253617839,2.743805569,2.201568877,1.964764008,1.510071644,1.167641386,0.083923071,1.884290479,1.663007589,1.405119386,1.081734443,0.7571706,0.553700828,0.204129328,0.083923071,3.522074052,3.239123791,2.771689043,2.258112233,1.871002897,1.533883657,1.274054557,0.270913902,1.837219222,1.621836125,1.317653186,0.972265271,0.647656414,0.424408863,0.308618633,0.270913902,3.659704981,3.410222095,2.993203798,2.554162556,2.252125409,1.966074992,1.756205763,0.943918427,1.653511117,1.395480873,1.02018324,0.600266577,0.208482349,0.072909525,0.20748838,0.943918427,3.531321568,3.247923952,2.801694323,2.305977951,1.882879937,1.55899181,1.348229181,0.399277246,1.811046793,1.59574924,1.261298847,0.900812078,0.595470171,0.378459371,0.258279227,0.399277246,3.704241438,3.464434174,3.088259503,2.682400736,2.345414943,2.097092476,1.946549764,1.207644823,1.606161072,1.341521304,0.928881965,0.476036759,0.090131028,0.197118509,0.372475596,1.207644823,4.90316099,3.438808139,3.042051582,2.814291152,2.366652171,1.825746756,1.499424853,0.6,1.758709722,1.414728787,1.091705729,0.765167683,0.393068111,0.149974021,0.483218408,0.6,0,0,0,1,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.144337567,0,0,0,0.288675135,0.204124145,0.144337567,0.102062073,0.072168784,0.051031036,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,5.736675415,3.264784317,2.159121884,1.132392159,0.623945479,0.301031036,0.176031036,0,0.717084427,0.46639776,0.308445983,0.226478432,0.15598637,0.100343679,0.088015518,0,11.50759373,21.54552076,20.42745098,20.72,13.07012096,169.3523066,0.523072442,0.979341853,0.928520499,0.941818182,0.594096407,7.697832118,2.1557,34.823,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,2,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.31856859,0.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.450093537,0.802777778,0,0,0,0,0,0,0,0,0,0,3.787496221,0,4.242592593,0,0,0,0,0,0,0.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.31856859,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.31856859,0.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.232454649,0.401388889,0,0,0,0,0,0,0,0,0,0,1.648472222,0,0.771666667,0,0,0,0,0,0,0.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.31856859,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.31856859,0.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.139023998,0,1.201666667,0,0,0,0,0,0,0.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.31856859,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.66666667,2.333333333,0.533864796,10.31856859,0.232454649,0.318009259,3.636288691,1.348657407,3.318568594,6.915185185,1.348657407,3.318568594,6.915185185,3.83333,0.47917,0,0.02083,0.4803,0.79583,0.42308,0.4803,0.79583,0.05723,0,-0.05723,0,0.60209,0.1122,0,0.34783,0.13043,0,5.25,0.65625,3.75,0.46875,1.5,0.1875,-2.25,-0.28125,0,0,6.51929,0.81491,8.40872,1.88944,0.23618,3.02767,0.37846,3.77005,0.74238,0.0928,0.14395,0.01799,0.14395,0.01799,0,7.01,1,1,1,1,0,0,0.857142857,1.143320102,1.820438145,3.140361164,3.447401505,3.226730915,3.240160728,25.15304225,40.0496392,69.0879456,75.8428331,70.98808013,71.28353601,0.256382472,0.408222011,0.704206597,0.773058497,0.72357448,0.726586033,3.316111517,2.638993473,1.319070455,1.012030114,1.232700704,1.219270891,0.256382472,0.408222011,0.704206597,0.773058497,0.72357448,0.726586033,9.968326343,18.09374286,20.8004582,19.73343726,19.51103992,19.67219767,29.50877429,19.35137167,17.52471905,18.40974974,19.03382426,14.4107264,8,5.142857143,7.2,8,1,7,2.12,1.1106,0.166666667,2.955737938,0.894427191,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,3.887,7,5,4,3,2,0,0,0,0,36,2.197224577,2.302585093,1.945910149,1.791759469,1.609437912,1.386294361,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,17.07,135.7821191,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,114.1044651,5.186566594,14.66595917,1.833244896,2.373458674,2.373458674,0,79,5,2.145,28,1.233333333,2.128002271,2.889690752,3.608751467,4.938009559,5.961721737,7.291460153,8.255697228,0,0,82.62061363,84.81333219,76.9323435,93.25974354,113.9745592,133.1158753,63.19201738,8.388316748,0,0,286.274389,326.7476734,344.0010185,418.8097446,518.4318869,587.4762091,560.8890361,256.6179827,0,0,9.129617831,15.45046199,21.17921893,25.84480125,35.52604756,43.22279348,54.02572322,55.46560462,0,0,2.113145198,2.620301546,2.895162439,3.607671405,4.529154009,5.143273543,5.479572975,3.670589526,0,0,177.4424221,332.3208193,476.8418876,592.7456637,825.436735,1005.507883,1248.204637,1526.624147,0,0,3.069384921,4.722156399,6.530114634,6.974510315,10.20268718,14.38874849,18.68399538,8.255697228,0,0,0.449709286,0.578803732,0.656732485,0.803298333,1.030066045,1.202906758,1.321995093,0.845383396,0,0,393.8661834,207.246668,12.89390315,178.2411308,-93.78789555,-19.29706751,215.6250526,301.0345636,32.19097066,0.688448082,0.362251387,0.02253756,0.311551918,-0.163934096,-0.033729804,225.3337243,118.5673346,7.376696299,101.9730546,-53.65674103,-11.03999347,0.246250531,0.569150925,5.47518271,21.50904066,534.3158608,37.7914534,0.933943419,0.066056581,506.3771674,22.50282577,7.970606549,641.9956726,25.33763352,8.626686854,806.9568368,28.40698571,9.310009021,2.247883265,2.247883265,791.3023655,738.9006555,72.4603393,1.070918478,10.92048938,10.19731156,4.38167396,4.466158665,8.870202886,0.986092199,3.917822784,5.778255412,2.25187352,18.93229316,6.810190792,0.161427262,3.908353839,9.710023548,10.41317777,0.530634648,3.334841376,3.678362393,5.006159901,1.515761749,3.019771037,0.079465769,0.371059075,1.19E-17,7.34E-56,8.75E-116,2.01E-197,8.92E-301,0,0,0,0,0,0,0,0,0.345289482,5.778031215,0.152968713,5.363040119,0.137185079,0.003043962,0.630944674,0.381355181,4.179301107,0.025683825,0.028730175,1.238745885,0.335663268,0.93913404,0.04400544,5.64E-04,0.002613399,8.37E-20,5.17E-58,6.16E-118,1.42E-199,6.28E-303,0,0,0,0,0,0,0,0,1.067258616,5.777928829,0.517528773,6.142146546,0.62148376,0.016290493,1.269969927,1.450269226,4.413163224,0.095330436,0.254421752,1.256312142,0.841520166,1.056835239,0.28004972,0.005844402,0.027233637,8.72E-19,5.39E-57,6.42E-117,1.48E-198,6.54E-302,0,0,0,0,0,0,0,0,3.70321596,5.778289294,2.100785387,17.97213993,6.340825812,0.145520081,3.722261728,8.997610035,10.77094491,0.487897399,2.973547033,3.898808684,5.253090023,1.480460728,2.706217363,0.070805803,0.330606956,1.06E-17,6.54E-56,7.80E-116,1.79E-197,7.95E-301,0,0,0,0,0,0,0,0,1.565367409,5.777907687,0.786752537,7.204226786,1.15127264,0.030913056,1.718833358,2.392968042,4.755334646,0.153065112,0.542715719,1.384840796,1.146406576,1.137633663,0.552355025,0.012683267,0.059155098,1.89E-18,1.17E-56,1.40E-116,3.21E-198,1.42E-301,0,0,0,0,0,0,0,0,4.731361413,5.77842984,2.836942321,25.1450796,9.889402568,0.230127229,4.669844672,13.29377758,13.10355059,0.702297305,4.852966851,4.627778621,7.008658784,1.646465868,4.329890646,0.115878039,0.541154789,1.73E-17,1.07E-55,1.28E-115,2.93E-197,1.30E-300,0,0,0,0,0,0,0,0,2.465203933,5.413144136,1.191257498,13.48735761,4.071786819,0.065325156,2.59278055,5.0824883,13.26421586,0.242455962,1.211598907,6.560487732,6.355701569,1.729488715,1.193586117,0.028629665,0.133581267,4.28E-18,2.64E-56,3.15E-116,7.24E-198,3.21E-301,0,0,0,0,0,0,0,0,7.625333006,0.78791567,0.452338377,0.86010469,0.088873491,0.547581639,0.508165617,0.545435764,8.865587053,9.813754616,21.39704463,0.790157035,1.60118302,6.564592811,0.59303533,0.087846848,0.906026564,0.081849062,0.412030362,0.258342614,0.020571649,7.245474989,4.521810536,12.10927642,0.859039846,0.690944626,6.964289877,0.591647918,0.234278744,0.893978985,0.075947557,0.457169943,0.287821503,0.146312865,7.790216539,5.890603225,14.64614368,0.840968478,0.891304311,7.575274368,0.81362674,0.435977007,0.858399886,0.092196938,0.540430376,0.54476577,0.50669184,8.824878114,9.820813784,21.33281254,0.787599829,1.591887986,7.173709287,0.603136736,0.304005241,0.88774178,0.074637772,0.48461874,0.298752882,0.246364927,8.080851264,6.690929555,16.08712869,0.83161267,1.029736549,7.704904495,0.823603037,0.478484324,0.855435934,0.091440411,0.559072135,0.555141014,0.610312364,9.006991856,10.4265399,22.46988933,0.783153902,1.724525512,7.602142026,0.820139342,0.435662308,0.858228761,0.092588006,0.544296877,0.553757631,0.505960619,8.857943676,9.904086298,21.4783042,0.787343141,1.604015127 +UMLMON0062,L,2-Heptanone,CCCCCC(=O)C,8051,Co optima database values measured by NREL,Sandia,,C7H14O,PubChem,,78.1,0,-1.0494,1.10124036,23.4438,19.895102,0,0,20,6,14,0,6,0,0,0,0,0,0,0,0,0,879.809622,890.819837,853.57306,675.105483,478.348754,281.592025,84.835296,9.144576,0,2976.273833,3723.897138,4529.110611,4081.819666,3075.021321,2068.222976,1061.424631,279.7536999,0,139.301592,137.349428,253.934608,311.98206,249.09716,186.21226,123.32736,60.466176,0,22.95798067,29.53412034,40.09970387,39.0812073,30.05967844,21.03814958,12.01662072,4.001516144,0,3349.613265,2777.687448,5725.049994,7574.612576,6095.657421,4616.702266,3137.747111,1664.258868,0,31,36.75,55.5,61.25,49,37,24,9,0,43.9904811,46.88525458,23.71036278,15.00234407,13.28746539,10.42933426,4.713072,1.016064,0,148.8136916,195.9945862,125.8086281,90.70710369,85.41725893,76.60085098,58.96803508,31.08374443,0,6.9650796,7.228917263,7.053739111,6.932934667,6.919365556,6.89675037,6.85152,6.718464,0,1.147899033,1.554427386,1.113880663,0.868471273,0.834991068,0.779190725,0.66759004,0.444612905,0,167.4806632,146.1940762,159.0291665,168.3247239,169.3238172,170.9889728,174.3192839,184.917652,0,1.55,1.934210526,1.541666667,1.361111111,1.361111111,1.37037037,1.333333333,1,0,0.028984089,-0.004413788,-0.012762229,-8.59E-05,3.83E-05,-2.27E-04,-0.001768116,0.004726855,0,508.4772378,-59.32234441,-213.0761758,-18.15990135,-19.37056144,-20.58122153,-21.79188162,98.06346729,0,945.5351364,-110.3124326,-396.2242477,-33.76911202,-36.02038615,-38.27166028,-40.52293442,182.3532049,0,0.0996072,-0.01162084,-0.04174016,-0.0035574,-0.00379456,-0.00403172,-0.00426888,0.01920996,0,4.226981996,-0.4931479,-1.771306741,-0.150963643,-0.161027886,-0.171092128,-0.181156371,0.815203671,0,22.96103329,-2.678787217,-9.621766332,-0.820036903,-0.87470603,-0.929375157,-0.984044284,4.428199278,0,2.2,-0.69,-0.66,0.05,0.04,0.28,-0.48,0.36,0,0.001449204,-2.32E-04,-3.55E-04,-1.91E-06,1.06E-06,-8.41E-06,-9.82E-05,5.25E-04,0,25.42386189,-3.122228653,-5.918782662,-0.403553363,-0.538071151,-0.762267464,-1.21066009,10.89594081,0,47.27675682,-5.805917504,-11.0062291,-0.750424711,-1.000566282,-1.417468899,-2.251274134,20.26146721,0,0.00498036,-6.12E-04,-0.001159449,-7.91E-05,-1.05E-04,-1.49E-04,-2.37E-04,0.00213444,0,0.2113491,-0.025955153,-0.049202965,-0.003354748,-0.004472997,-0.006336745,-0.010064243,0.090578186,0,1.148051665,-0.140988801,-0.267271287,-0.018223042,-0.02429739,-0.034421302,-0.054669127,0.492022142,0,0.11,-0.036315789,-0.018333333,0.001111111,0.001111111,0.01037037,-0.026666667,0.04,0,-0.160298047,-0.244621349,-0.001317419,7.34E-04,-0.005805296,-0.067781105,0.362409973,0,-0.122807018,-0.232804233,-0.015873016,-0.021164021,-0.029982363,-0.047619048,0.428571429,0,-0.122807018,-0.232804233,-0.015873016,-0.021164021,-0.029982363,-0.047619048,0.428571429,0,-0.122807018,-0.232804233,-0.015873016,-0.021164021,-0.029982363,-0.047619048,0.428571429,0,-0.122807018,-0.232804233,-0.015873016,-0.021164021,-0.029982363,-0.047619048,0.428571429,0,-0.122807018,-0.232804233,-0.015873016,-0.021164021,-0.029982363,-0.047619048,0.428571429,0,-0.330143541,-0.166666667,0.01010101,0.01010101,0.094276094,-0.242424242,0.363636364,0,1.703412306,1.346838172,0.878190572,0.86706897,0.856170017,0.849963494,0,0,1.666666667,1.382275132,0.904761905,0.87962963,0.837742504,0.753968254,0,0,1.666666667,1.382275132,0.904761905,0.87962963,0.837742504,0.753968254,0,0,1.666666667,1.382275132,0.904761905,0.87962963,0.837742504,0.753968254,0,0,1.666666667,1.382275132,0.904761905,0.87962963,0.837742504,0.753968254,0,0,1.666666667,1.382275132,0.904761905,0.87962963,0.837742504,0.753968254,0,0,1.931818182,1.079545455,0.767676768,0.839646465,0.87962963,1.439393939,0,0,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,27.71532755,13.80210822,22.59542027,27.64125348,4.606875579,13.80211063,-0.111111111,1.11E-16,1.85E-17,-22.04208034,17.92897903,2.988163172,1.731851007,0,11.89,12.11007471,-0.170505165,0.049778506,5.038149357,6.699886583,5,19,19,19,5,0,0,0,0,0,15.304898,3.436281324,3.053015046,2.504096255,1.916358167,1.43391761,1.146847431,0.083923071,0.083923071,1.888548119,1.647951451,1.299263214,0.941680442,0.676640099,0.532894083,0.083923071,0.083923071,3.467521827,3.095177584,2.563348322,1.997662592,1.539036202,1.269940792,0.270913902,0.270913902,1.823869772,1.56562057,1.194989707,0.814897509,0.531179783,0.376646566,0.270913902,0.270913902,3.603669566,3.277764969,2.815596863,2.335009351,1.961838325,1.752167171,0.943918427,0.943918427,1.630594176,1.313531503,0.864013097,0.398039556,0.038578938,0.162221585,0.943918427,0.943918427,3.490474213,3.126113473,2.606620839,2.056575709,1.614413172,1.357364362,0.399277246,0.399277246,1.78241689,1.512301266,1.126481593,0.730495519,0.433323325,0.270879703,0.399277246,0.399277246,3.669198442,3.364561497,2.932470728,2.486225297,2.144866309,1.95552884,1.207644823,1.207644823,1.569371074,1.232013665,0.753158019,0.252901533,0.139147927,0.361314188,1.207644823,1.207644823,3.493977399,3.213334155,2.722251257,2.161020711,1.718428664,1.473804317,0.6,0.6,1.762609021,1.413761131,0.988653497,0.594869471,0.296896665,0.126026718,0.6,0.6,0,0,0,0,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,9.792794627,19.21485798,18.07843137,18.32,11.58988144,154.455091,0.489639731,0.960742899,0.903921569,0.916,0.579494072,7.722754551,2.5866,29.816,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,4.463611111,0,5.536388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.231805556,0,1.355,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.231805556,0,1.413194444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,1.666666667,0.2,2.231805556,0.2,1.355,4.596819444,0.145,0.231805556,0.927222222,0.145,0.231805556,0.927222222,3,0.5,0,0,0.42,0.7,0.42,0.42,0.7,0,0,0,0,0.71429,0,0,0.33333,0,0,2.5,0.41667,2.5,0.41667,0,0,-2.5,-0.41667,0,0,5.31294,0.88549,5.31294,0,0,2.91421,0.4857,2.91421,0,0,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,1,0.881290899,1.156779649,2.046439345,2.246439345,1.760964047,1.628771238,17.62581798,23.13559299,40.92878689,44.92878689,35.21928095,32.57542476,0.203911514,0.267653608,0.473501479,0.519777122,0.407448715,0.376862179,3.440637196,3.165148445,2.27548875,2.07548875,2.560964047,2.693156857,0.207463733,0.27231624,0.481750062,0.528831845,0.414546633,0.383427267,6.616095946,9.921960949,13.01701725,11.02014727,10.53087311,8.944559395,23.80204551,20.17438566,19.31564911,21.97319159,21.98911105,14.8301699,6,5,5.333333333,6,0,6,2.12,0.954,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,2.768,4,3,2,1,0,0,0,0,0,21,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,0,3.091042453,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.6,5,1,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,112.3323665,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,86.10955045,4.305477522,10.83915043,1.806525072,0,0,0,35,3,3.754,18,1.220894737,2.104070296,2.834050251,3.556820544,4.881273756,5.8487974,7.058444873,0,0,0,67.74862772,56.37357056,51.90472243,61.30004991,59.84703514,30.60323554,7.171831732,0,0,0,263.8372191,284.3497531,282.0632149,355.5308871,405.7006726,367.801601,219.4028965,0,0,0,8.859366903,14.89057627,19.6976071,24.77500676,33.76222334,40.18247011,47.42190778,0,0,0,2.030985313,2.466953736,2.60830871,3.32096827,4.016553242,4.087795125,3.138275679,0,0,0,176.3944505,331.0174697,473.6018424,589.7652507,827.274887,1010.85064,1305.231053,0,0,0,2.427907895,3.333899572,3.962337209,5.154990984,6.929041593,8.072260541,7.058444873,0,0,0,0.422269342,0.524366032,0.561891348,0.715934702,0.874478508,0.904865382,0.722784755,0,0,0,371.672533,129.2254233,9.068523388,158.7213439,-55.18522632,-9.513656563,212.9511891,184.4106496,18.58217995,0.700748159,0.243640488,0.017097715,0.299251841,-0.104045745,-0.017936965,197.1328357,68.54037323,4.809889277,84.18482894,-29.26990613,-5.045985188,0.07590715,0.187427247,1.576789125,12.44883377,530.3938769,0,1,0,310.4078457,17.6183951,6.770866172,446.0263509,21.11933595,7.640471717,448.2314128,21.1714764,7.653041995,2.517099006,2.517099006,439.289369,422.950533,36.39746535,1.038630607,12.06922968,11.6203293,3.714891546,4.466158665,7.63628977,0.709811572,3.904607748,4.742666667,2.113749516,15.95453913,7.51712365,0.143498814,2.772933281,8.479263225,4.128385499,1.14813862,2.188724667,0.073937918,1.544812114,1.267677695,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.327686671,4.742376672,0.141012467,4.09564635,0.055826524,0.001179269,0.400410397,0.334057283,2.006488095,0.045156318,0.017870597,0.008212694,0.127880219,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.05781252,4.742396602,0.479177174,5.015209275,0.559120835,0.010889559,0.884653971,1.327155112,2.345797934,0.17950658,0.166288302,0.012653829,0.413976048,0.093040371,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,3.685631203,4.742635023,1.970157411,14.69751032,6.699606821,0.127944204,2.627675359,7.743768261,3.965295942,1.048495653,1.951571477,0.066739285,1.456961205,1.129478003,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,1.559021026,4.742421941,0.730471884,6.092165063,1.207391242,0.023297864,1.217083562,2.207677715,2.606579016,0.298691829,0.355674901,0.018367328,0.611301281,0.202096118,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,4.715379333,4.742799601,2.671319746,21.21170237,10.95361546,0.208859005,3.31077362,11.47139688,4.769915791,1.553540596,3.185169978,0.104196167,1.871341804,1.848788779,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,2.409700782,4.353605973,1.10314419,8.23115965,2.713282391,0.051975439,1.711691777,3.694844283,3.395844781,0.500122112,0.797985751,0.035092097,1.103999159,0.45636397,1.29E-06,2.88E-33,1.23E-81,1.02E-151,1.63E-243,0,0,0,0,0,0,0,0,0,0,0,5.672933615,0.731154087,0.497572215,0.821966553,0.105938875,0.558961207,0.55695773,0.59997934,6.901659917,7.334284703,16.29976898,0.73294983,1.715898277,4.795134677,0.306135575,0.116399265,0.919018474,0.058672856,0.399871135,0.097072507,0.032834056,5.217669516,2.061745418,7.450284552,0.878527711,0.529777697,5.160908206,0.483481404,0.275302884,0.87182032,0.081673398,0.462914907,0.242862792,0.183673109,5.919692494,4.049119885,10.655749,0.80773048,0.889450808,5.652853217,0.721452622,0.48885876,0.823651121,0.105119528,0.555023015,0.542232007,0.57914973,6.863164599,7.194401023,16.05126157,0.735476682,1.676404752,5.316424902,0.558774506,0.342832262,0.855001258,0.089863567,0.491124774,0.324723371,0.28483111,6.218031671,4.984890603,12.22136814,0.782501887,1.100679255,5.735302567,0.761280769,0.524634206,0.816852993,0.108425749,0.571282404,0.603944185,0.667017548,7.021217542,7.77450539,17.08636797,0.72527949,1.842244137,5.675684185,0.721998554,0.489837932,0.824053307,0.104827062,0.55948857,0.543149712,0.581472098,6.887520671,7.231663455,16.12645953,0.73607996,1.68411038 +UMLMON0063,L,Hexane,CCCCCC,8058,,"Sandia, UML",[1],C6H14,PubChem,,26,0,-1.728,2.985984,17.4696,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,1010.869782,1162.251222,747.748011,169.670592,12.192768,0,0,0,2914.106344,3917.940807,5481.28267,4770.239364,2122.849263,373.0049332,0,0,0,125.864664,130.65468,256.377048,354.687852,246.65472,80.621568,0,0,0,22.06875486,30.09593172,46.12614087,45.76247316,24.03324144,5.335354858,0,0,0,2979.777961,2598.236709,5545.213194,8493.347862,6275.494221,2219.011824,0,0,0,25.5,31.5,55.5,66.75,42,12,0,0,0,48.76541633,56.15943233,32.28475617,14.66172571,4.713072,1.016064,0,0,0,161.8947969,217.6633782,152.2578519,93.53410519,58.96803508,31.08374443,0,0,0,6.992481333,7.258593333,7.121584667,6.954663765,6.85152,6.718464,0,0,0,1.226041937,1.671996207,1.281281691,0.897303395,0.66759004,0.444612905,0,0,0,165.54322,144.3464838,154.0336998,166.5362326,174.3192839,184.917652,0,0,0,1.416666667,1.75,1.541666667,1.308823529,1.166666667,1,0,0,0,0.025088129,2.17E-18,-0.012544065,-0.00836271,-3.25E-18,0.00836271,0,0,0,484.264036,5.04E-13,-242.132018,-161.4213453,-6.15E-13,161.4213453,0,0,0,900.5096538,2.98E-13,-450.2548269,-300.1698846,-4.33E-13,300.1698846,0,0,0,0.094864,1.35E-15,-0.047432,-0.031621333,-1.35E-15,0.031621333,0,0,0,4.025697139,2.94E-15,-2.01284857,-1.341899046,-4.00E-15,1.341899046,0,0,0,21.86765075,6.44E-14,-10.93382538,-7.289216918,-6.84E-14,7.289216918,0,0,0,1,-3.47E-16,-0.5,-0.333333333,1.80E-16,0.333333333,0,0,0,0.001393785,1.20E-19,-3.48E-04,-1.64E-04,-9.04E-20,6.97E-04,0,0,0,26.90355756,2.80E-14,-6.725889389,-3.165124418,-1.71E-14,13.45177878,0,0,0,50.0283141,1.66E-14,-12.50707852,-5.885684011,-1.20E-14,25.01415705,0,0,0,0.005270222,7.53E-17,-0.001317556,-6.20E-04,-3.74E-17,0.002635111,0,0,0,0.223649841,1.63E-16,-0.05591246,-0.026311746,-1.11E-16,0.111824921,0,0,0,1.214869486,3.58E-15,-0.303717372,-0.142925822,-1.90E-15,0.607434743,0,0,0,0.055555556,-1.93E-17,-0.013888889,-0.006535948,5.01E-18,0.027777778,0,0,0,8.64E-17,-0.25,-0.117647059,-6.48E-17,0.5,0,0,0,1.04E-15,-0.25,-0.117647059,-6.35E-16,0.5,0,0,0,3.31E-16,-0.25,-0.117647059,-2.41E-16,0.5,0,0,0,1.43E-14,-0.25,-0.117647059,-7.10E-15,0.5,0,0,0,7.31E-16,-0.25,-0.117647059,-4.96E-16,0.5,0,0,0,2.94E-15,-0.25,-0.117647059,-1.56E-15,0.5,0,0,0,-3.47E-16,-0.25,-0.117647059,9.02E-17,0.5,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,0,11.9,12.1000824,-0.152797442,0.047284962,6.45375,6.653832404,6,18,18,18,6,0,0,0,0,0,13.118484,3.573186822,2.750129472,2.750129472,1.456797487,1.456797487,1.056465515,0.083923071,0.083923071,1.972542445,1.372874417,1.372874417,0.666206401,0.666206401,0.489263751,0.083923071,0.083923071,3.600648477,2.792995694,2.792995694,1.556142907,1.556142907,1.185878035,0.270913902,0.270913902,1.914964133,1.285229005,1.285229005,0.522081792,0.522081792,0.329734575,0.270913902,0.270913902,3.72034929,2.981537655,2.981537655,1.9628467,1.9628467,1.687973407,0.943918427,0.943918427,1.74405498,1.018928274,1.018928274,0.037619229,0.037619229,0.223569137,0.943918427,0.943918427,3.620820476,2.824624264,2.824624264,1.62787375,1.62787375,1.27745173,0.399277246,0.399277246,1.878174485,1.228596505,1.228596505,0.425347018,0.425347018,0.22154323,0.399277246,0.399277246,3.778078745,3.072480534,3.072480534,2.141548494,2.141548494,1.897819044,1.207644823,1.207644823,1.690174221,0.933903671,0.933903671,0.135164289,0.135164289,0.429566078,1.207644823,1.207644823,3.666666667,2.896805253,2.896805253,1.786299648,1.786299648,1.474809634,0.666666667,0.666666667,1.808142967,1.119632981,1.119632981,0.230138587,0.230138587,1.46E-16,0.666666667,0.666666667,0,0,0,0,0,0,6,0,0,0,0,0,0.125,0,0,0,0,0.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.3406,27.702,21,27,42,7,21,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,36,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,1.5,0.2,1.5,0.2,1.5,4.338,0,0,0,0,0,0,3,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0,0,0,3,0.5,3,0.5,0,0,-3,-0.5,0,0,5,0.83333,5,0,0,3,0.5,3,0,0,-0.086,-0.01433,0,0,0.333333333,6,0,0,0,0,0,0,1,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,16.52932501,16.52932501,16.52932501,16.52932501,16.52932501,16.52932501,0.220218789,0.220218789,0.220218789,0.220218789,0.220218789,0.220218789,3.251629167,3.251629167,3.251629167,3.251629167,3.251629167,3.251629167,0.220218789,0.220218789,0.220218789,0.220218789,0.220218789,0.220218789,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,23.69925001,23.69925001,23.69925001,23.69925001,23.69925001,23.69925001,4.166666667,2.222222222,1.333333333,0,0,0,2.12,0.8454,0,0,0,0,9.125465128,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.071,0.064,0.277,0.248,3.124,6,6,6,6,0,0,0,0,0,36,1.945910149,1.945910149,1.945910149,1.945910149,1.945910149,0,0,0,0,0,3.610917913,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,13,18,3,9.000420062,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,0,99.97590776,3.584962501,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,65.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921172722,84.09390038,4.671883355,11.8125,1.96875,0,0,0,27,3,3.414,24,1.215665947,2.074379101,2.769165856,3.596574681,4.089693115,0,0,0,0,0,77.3164608,74.52439015,41.96284432,16.39683731,4.155389945,0,0,0,0,0,285.7401037,335.9609385,270.4409159,207.9038666,127.1229756,0,0,0,0,0,8.852968597,14.81260568,19.31492079,24.62206198,27.47645596,0,0,0,0,0,2.147256838,2.776238206,2.577511614,2.367619398,1.818330336,0,0,0,0,0,173.6750992,316.7529272,456.6693335,628.5407219,756.2564483,0,0,0,0,0,2.178748381,3.259578383,3.694505166,4.171025122,4.089693115,0,0,0,0,0,0.444517095,0.584941195,0.556932658,0.526378009,0.418784575,0,0,0,0,0,290.9713009,92.17524248,7.681270207,76.20008249,-24.13901666,-4.023169444,214.7712184,116.3142591,11.70443965,0.792467262,0.251041466,0.020920122,0.207532738,-0.065743186,-0.010957198,106.8363351,33.84411129,2.820342608,27.9784897,-8.863156141,-1.47719269,0.083333333,0.166666667,1.81032095,0.471729772,367.1713834,0,1,0,434.5588978,20.84607632,7.574422894,550.8033308,23.46919962,8.197199771,642.6816409,25.35116646,8.62975828,1.169090596,1.154177849,182.6124473,110.2037714,101.5087077,1.657043538,1.798983076,1.085658303,3.079233852,3.651473827,4.684853365,0.283003408,3.347426595,3.674795795,4.905934579,8.466492148,13.26323839,3.209175198,6.437626672,0.50634263,9.37E-05,2.52E-29,1.32E-75,1.33E-143,2.61E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.281494244,3.674127838,0.388853104,2.220720186,0.746388657,0.243584491,0.046575979,0.003566213,6.60E-07,1.78E-31,9.29E-78,9.39E-146,1.84E-235,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.9073164,3.674173318,1.270328772,2.643423609,2.631529279,0.803280818,0.475658966,0.037162684,6.87E-06,1.85E-30,9.68E-77,9.79E-145,1.92E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.159732414,3.674722759,4.615054378,7.782653239,12.26000737,3.011476539,5.736660006,0.451142167,8.35E-05,2.25E-29,1.18E-75,1.19E-143,2.33E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336923691,3.674231519,1.887476386,3.18662964,4.124501233,1.201047437,1.030155174,0.080722316,1.49E-05,4.03E-30,2.10E-76,2.13E-144,4.16E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.042373668,3.675102714,5.999223782,11.34074458,17.24679984,3.959498418,9.384644447,0.738453138,1.37E-04,3.68E-29,1.92E-75,1.95E-143,3.81E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.231824381,3.674423282,3.20451608,4.979628373,7.754366674,2.065050348,2.864737904,0.225041169,4.16E-05,1.12E-29,5.86E-76,5.93E-144,1.16E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.720708356,1.540540271,0.622950455,0.443002102,0.396617227,0.592858473,0.540562305,0.424527571,3.884199082,4.682416834,10.21794576,0.259428993,1.557948348,1.137361705,1.034426015,0.172942371,0.485071484,0.441170614,0.258820991,0.243723903,0.032483827,2.344730091,1.552110653,4.100310303,0.389363148,0.535028721,1.369017678,1.235438217,0.35170131,0.463107197,0.417920338,0.375104478,0.347649494,0.13477387,2.956157205,2.607327309,6.158329868,0.321541302,0.857527842,1.70626349,1.528010311,0.611812367,0.443636314,0.397289672,0.582935372,0.531804754,0.409422214,3.846086168,4.585956914,10.02715307,0.261388978,1.52416234,1.472289886,1.325037604,0.431367945,0.456001477,0.410394114,0.433890576,0.399904231,0.20300516,3.228695436,3.157516875,7.227741921,0.299593387,1.036799966,1.76593219,1.579768228,0.657820025,0.441094835,0.39459477,0.624468349,0.568442316,0.473597785,4.003520443,4.990632298,10.82931508,0.253534408,1.66650845,1.710082389,1.531322963,0.61475705,0.443467419,0.397110599,0.585550657,0.534113107,0.413388993,3.856162402,4.611365223,10.0773848,0.260867028,1.533052757 +UMLMON0064,L,Cyclohexane,C1CCCCC1,8078,[9] has RON of 84,"Sandia, UML",[1],C6H12,PubChem,,77.2,0,0.403,0.162409,25.0454,17.22793,0,0,16,6,10,0,6,0,0,0,0,0,0,0,0,0,875.745366,986.655606,1111.790742,692.207211,137.327904,8.128512,0,0,0,2851.938855,3688.467574,4960.168716,4093.706688,1644.706075,248.6699554,0,0,0,112.427736,116.419416,214.469592,279.188076,178.671744,53.747712,0,0,0,21.17952905,27.8688431,40.78273782,38.19600558,18.24924958,3.556903239,0,0,0,2609.942657,2291.991614,4562.887699,6586.434107,4489.90791,1479.341216,0,0,0,27,32.75,53.5,59.25,33,8,0,0,0,54.73408538,61.66597537,37.0596914,17.30518028,5.281842462,1.016064,0,0,0,178.2461784,230.5292234,165.3389572,102.3426672,63.25792595,31.08374443,0,0,0,7.0267335,7.2762135,7.1489864,6.9797019,6.871990154,6.718464,0,0,0,1.323720566,1.741802694,1.359424594,0.95490014,0.701894215,0.444612905,0,0,0,163.121416,143.2494759,152.0962566,164.6608527,172.6887658,184.917652,0,0,0,1.6875,2.046875,1.783333333,1.48125,1.269230769,1,0,0,0,0.035879452,1.34E-04,-0.01831324,-0.010018029,3.74E-04,0.009884073,0,0,0,453.9975338,3.84E-13,-215.6488285,-136.1992601,-11.34993834,136.1992601,0,0,0,844.2278004,1.28E-13,-401.0082052,-253.2683401,-21.10569501,253.2683401,0,0,0,0.088935,1.38E-15,-0.042244125,-0.0266805,-0.002223375,0.0266805,0,0,0,3.774091068,1.28E-15,-1.792693257,-1.13222732,-0.094352277,1.13222732,0,0,0,20.50092258,5.02E-14,-9.737938226,-6.150276775,-0.512523065,6.150276775,0,0,0,2,0.25,-0.875,-0.75,-0.125,0.5,0,0,0,0.002242466,8.37E-06,-6.10E-04,-2.50E-04,1.44E-05,0.001235509,0,0,0,28.37484586,2.40E-14,-7.188294284,-3.404981503,-0.43653609,17.02490752,0,0,0,52.76423752,7.99E-15,-13.36694017,-6.331708503,-0.8117575,31.65854251,0,0,0,0.005558437,8.60E-17,-0.001408137,-6.67E-04,-8.55E-05,0.003335062,0,0,0,0.235880692,7.98E-17,-0.059756442,-0.028305683,-0.003628934,0.141528415,0,0,0,1.281307661,3.14E-15,-0.324597941,-0.153756919,-0.019712426,0.768784597,0,0,0,0.125,0.015625,-0.029166667,-0.01875,-0.004807692,0.0625,0,0,0,0.003733518,-0.272218804,-0.111685424,0.006406312,0.550960084,0,0,0,8.45E-16,-0.253333333,-0.12,-0.015384615,0.6,0,0,0,1.51E-16,-0.253333333,-0.12,-0.015384615,0.6,0,0,0,1.55E-14,-0.253333333,-0.12,-0.015384615,0.6,0,0,0,3.38E-16,-0.253333333,-0.12,-0.015384615,0.6,0,0,0,2.45E-15,-0.253333333,-0.12,-0.015384615,0.6,0,0,0,0.125,-0.233333333,-0.15,-0.038461538,0.5,0,0,0,1.154792043,1.311020534,1.019188882,0.794976307,0.094471504,0,0,0,1.25,1.333333333,1,0.769230769,0,0,0,0,1.25,1.333333333,1,0.769230769,0,0,0,0,1.25,1.333333333,1,0.769230769,0,0,0,0,1.25,1.333333333,1,0.769230769,0,0,0,0,1.25,1.333333333,1,0.769230769,0,0,0,0,1.0546875,1.3125,1.078125,0.793269231,0,0,0,0,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,21.59580837,9.436456808,14.31225401,21.59580837,3.599301396,9.436862402,-0.111111111,0.145144578,0.024190763,-1.158014968,22.36835534,3.728059223,1.864588351,0,11.9,12.1000824,-0.164817529,0.042219604,6.532585361,6.775229999,6,16,15,15,5,1,1,0,0,1,10.93207,3.613534503,2.766129411,2.670733644,1.426915667,1.280358167,0.745385601,0.083923071,0.083923071,1.956102786,1.306637636,1.289247512,0.613571465,0.574012486,0.259946685,0.083923071,0.083923071,3.635963716,2.800130939,2.714019583,1.523146265,1.388936179,0.882843159,0.270913902,0.270913902,1.904564498,1.216636457,1.211610963,0.471095317,0.422928919,0.092720276,0.270913902,0.270913902,3.735659072,2.952913657,2.905601615,1.920183444,1.829282018,1.415929732,0.943918427,0.943918427,1.755782541,0.983897868,0.943775969,0.006408762,0.090576956,0.490411682,0.943918427,0.943918427,3.652542714,2.825381442,2.746030809,1.592839035,1.467119469,0.980162006,0.399277246,0.399277246,1.871998278,1.162145352,1.158511608,0.37555048,0.321126922,0.020920637,0.399277246,0.399277246,3.784885575,3.028693114,2.99852718,2.095780148,2.020397398,1.637930713,1.207644823,1.207644823,1.710226487,0.913781604,0.857043734,0.175873707,0.276154994,0.708677935,1.207644823,1.207644823,3.70535128,2.898715639,2.750631765,1.693321354,1.575987379,1.172323917,0.6,0.6,1.83694185,1.119307666,1.046222152,0.22999262,0.183294425,0.21942738,0.6,0.6,0,0,0,2,0,0,4,0,0,0,0,0,0.125,0,0,0,0,0.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,3.983127663,2.649829914,1.755861571,1.15824829,0.760079655,0.5,0,0,0.663854611,0.441638319,0.292643595,0.193041382,0.126679943,0.083333333,0,0,8.709139019,15.43918427,14.62745098,14.8,9.992772455,121.8839701,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,2.04279,27.338,21,27,42,7,21,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,36,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,4,2,0,2,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.534722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.632638889,0,0,1.067361111,0.580555556,0,0.632638889,0,0,0,0,0,0,0,0,0,0,5.465277778,0,4.534722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.243402778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,0,0,1.319444444,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.290277778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,0,0,1.413194444,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,1.666666667,0.316319444,2.267361111,0.243402778,1.319444444,3.903986111,0.180555556,0.267361111,1.069444444,0.180555556,0.267361111,1.069444444,3,0.5,0,0,0.45,0.7,0.43333,0.43333,0.7,0.01667,0.01667,0,0,0.71429,0,0,0,0,0,4,0.66667,3,0.5,1,0.16667,-2,-0.33333,0,0,4.06658,0.67776,5,0.93342,0.15557,2.45711,0.40952,3,0.54289,0.09048,-0.086,-0.01433,0,0,0.375,6,0,0,0,0,0,0,0.666666667,0.954434003,2,2.5,2.5,2.5,2.5,15.27094405,32,40,40,40,40,0.238608501,0.5,0.625,0.625,0.625,0.625,3.045565997,2,1.5,1.5,1.5,1.5,0.233502796,0.489301084,0.611626355,0.611626355,0.611626355,0.611626355,6.794779896,14.3818469,14.88575942,14.88575942,14.88575942,14.88575942,23.34095565,18.25,18.25,18.25,18.25,18.25,4.166666667,2.222222222,1.333333333,0,2,0,2.12,0.8024,0,0,0,0,9.125465128,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.093,0.088,0.377,0.384,3.064,6,6,6,6,0,0,0,0,0,36,2.079441542,2.197224577,2.302585093,2.397895273,2.48490665,0,0,0,0,0,3.951243719,1.416666667,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,13,18,3,9.000420062,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,0,97.33944905,3.584962501,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,65.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921172722,82.07825032,5.129890645,11.8125,1.96875,0,0,0,27,3,2.898,24,1.286936261,2.275065463,3.045601428,3.84949883,4.532904867,0,0,0,0,0,93.9252279,94.06960818,53.8150092,19.94454114,4.60572145,0,0,0,0,0,330.7071423,402.474825,321.5908996,240.5855778,140.8996564,0,0,0,0,0,9.410629108,16.31781763,21.30693373,26.43975728,30.45415816,0,0,0,0,0,2.426230269,3.248692958,2.989133528,2.678545282,2.015388,0,0,0,0,0,181.4513105,342.2803903,497.5287393,665.877226,838.2141248,0,0,0,0,0,2.737411054,4.165488916,4.597849607,4.852030788,4.532904867,0,0,0,0,0,0.500046334,0.681569136,0.643190798,0.593103484,0.464169458,0,0,0,0,0,242.435527,83.40823319,8.511748464,52.8651831,-18.18789339,-4.081485751,189.5703439,101.5961266,12.59323421,0.820978476,0.282451854,0.028824003,0.179021524,-0.061591093,-0.013821456,71.59138327,24.63051049,2.513525365,15.61112611,-5.370897834,-1.20526564,0.165373633,0.25558303,4.163263164,7.065174885,295.3007101,0,1,0,361.2160785,19.00568542,7.12178772,458.5110639,21.41287145,7.711104817,536.3589506,23.15942466,8.124909099,1.591158247,1.138944581,211.8600743,127.6170743,109.9160316,1.660123267,1.927472009,1.1610415,3.317739965,3.820078341,5.196394925,0.360284911,2.952467598,2.263616531,3.443858116,12.12771831,9.317275169,6.9358737,7.159935865,2.410155523,1.266887611,1.19E-04,9.14E-29,1.57E-74,5.30E-142,3.45E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.247913349,2.263447887,0.379470893,3.666571163,3.904138074,0.491047765,0.360400875,0.016975429,0.008922793,8.40E-07,6.44E-31,1.11E-76,3.73E-144,2.43E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.79997053,2.263459501,0.985108747,4.898160853,4.60084078,1.645145652,1.321879013,0.17689308,0.092982383,8.75E-06,6.71E-30,1.16E-75,3.89E-143,2.53E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.786896725,2.263598138,3.249229565,11.43443763,8.841467136,6.484218024,6.592808645,2.147405529,1.128774053,1.06E-04,8.14E-29,1.40E-74,4.72E-142,3.07E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.178940479,2.263474247,1.406759638,5.890735988,5.200318464,2.485329129,2.108526014,0.384234162,0.201970161,1.90E-05,1.46E-29,2.51E-75,8.45E-143,5.50E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.565502017,2.263693796,4.172460898,14.89365929,11.24295583,8.67299328,9.431048075,3.514983669,1.847636516,1.74E-04,1.33E-28,2.30E-74,7.73E-142,5.03E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.724264565,2.043236862,2.398474834,7.423130172,6.508416274,3.791344942,3.597253837,0.867657208,0.45607954,4.29E-05,3.29E-29,5.67E-75,1.91E-142,1.24E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.006735584,1.859520329,0.523146333,0.457177418,0.423638624,0.451826091,0.512962296,0.309917736,4.389402245,5.754183214,12.09574032,0.321224063,1.274706122,1.413652651,1.182850501,0.156335159,0.513525493,0.429683972,0.224206395,0.207605264,0.027297005,2.752838311,2.07806448,5.092317025,0.414814198,0.459108664,1.635970335,1.436577288,0.294004789,0.485948274,0.426720607,0.300181725,0.306152154,0.097148349,3.366552413,3.253541544,7.311063373,0.369003322,0.703482228,1.990639793,1.841170618,0.513210115,0.458142782,0.423742674,0.444581904,0.502882376,0.298176079,4.345020526,5.631631359,11.85762213,0.322828185,1.245640359,1.740454894,1.555805948,0.358633677,0.476198392,0.425677387,0.339734953,0.359062645,0.144905715,3.654894519,3.889960222,8.515966625,0.352813669,0.843703314,2.057642801,1.917545608,0.554565088,0.454250502,0.423322287,0.47514535,0.545501506,0.34855026,4.529753497,6.150124626,12.8679834,0.316359183,1.369197116,1.997472511,1.840329017,0.51400663,0.458998292,0.42288836,0.447573162,0.502434673,0.299144436,4.351808158,5.648662054,11.88996199,0.322829979,1.249152271 +UMLMON0065,L,cyclohexene,C1CCC=CC1,8079,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C6H10,PubChem,,63.4,0,-0.2281,0.05202961,23.255,14.936344,0,0,14,6,8,0,5,0,1,0,0,0,0,0,0,0,985.417118,1058.241166,1170.205774,697.642055,115.057152,4.064256,0,0,0,2582.645241,3217.419542,4130.394749,3229.301399,1163.284404,124.3349777,0,0,0,104.802008,107.170888,191.327944,219.96074,128.832768,26.873856,0,0,0,18.14460724,22.74263448,31.2484987,27.88826194,12.19693088,1.778451619,0,0,0,2298.764282,2038.844463,3914.762988,4987.172163,3138.28036,739.6706081,0,0,0,35,36.75,58.5,55.25,28,4,0,0,0,70.386937,75.58865471,46.80823096,23.25473517,6.392064,1.016064,0,0,0,184.4746601,229.8156816,165.21579,107.64338,64.62691132,31.08374443,0,0,0,7.485857714,7.655063429,7.65311776,7.332024667,7.157376,6.718464,0,0,0,1.296043374,1.624473891,1.249939948,0.929608731,0.677607271,0.444612905,0,0,0,164.1974487,145.6317473,156.5905195,166.2390721,174.3489089,184.917652,0,0,0,2.5,2.625,2.34,1.841666667,1.555555556,1,0,0,0,0.155780344,-0.03001935,-0.047153135,-0.012832825,1.80E-04,0.011934706,0,0,0,480.0001234,23.93825486,-200.9974523,-132.9940112,-29.96399669,100.0171436,0,0,0,703.208428,-52.78314186,-271.0083,-171.7802629,-0.568480494,144.5359712,0,0,0,1.006693714,0.021013714,-0.308297633,-0.193929388,-0.090627918,0.068494367,0,0,0,3.155024204,-0.551406672,-1.057056844,-0.633247101,0.1226619,0.541536615,0,0,0,17.60532202,-3.547217023,-5.599446076,-3.282935253,0.84704424,2.779893101,0,0,0,6.428571429,1.035714286,-1.908163265,-2.096938776,-0.979591837,0.734693878,0,0,0,0.011127167,-0.002144239,-0.001886125,-4.28E-04,1.00E-05,0.002983676,0,0,0,34.2857231,1.709875347,-8.039898091,-4.433133707,-1.664666483,25.0042859,0,0,0,50.22917343,-3.770224418,-10.840332,-5.726008764,-0.03158225,36.13399281,0,0,0,0.071906694,0.00150098,-0.012331905,-0.006464313,-0.005034884,0.017123592,0,0,0,0.225358872,-0.039386191,-0.042282274,-0.021108237,0.00681455,0.135384154,0,0,0,1.257523002,-0.253372645,-0.223977843,-0.109431175,0.047058013,0.694973275,0,0,0,0.459183673,0.073979592,-0.076326531,-0.069897959,-0.054421769,0.183673469,0,0,0,-0.192703068,-0.169506338,-0.038442923,9.01E-04,0.268143389,0,0,0,0.049871351,-0.234496967,-0.1292997,-0.04855276,0.729291484,0,0,0,-0.075060451,-0.215817447,-0.113997671,-6.29E-04,0.719382589,0,0,0,0.02087399,-0.171498711,-0.089898625,-0.070019689,0.23813627,0,0,0,-0.17477098,-0.187621962,-0.093664991,0.030238659,0.600749164,0,0,0,-0.201485495,-0.178110335,-0.087021212,0.037421195,0.552652535,0,0,0,0.161111111,-0.166222222,-0.152222222,-0.118518519,0.4,0,0,0,1.084752426,1.358830192,0.898438886,0.810751306,0.074005284,0,0,0,0.967587004,1.234922033,1.021922742,0.884613824,0,0,0,0,1.23459213,1.200117629,0.989483988,0.779347212,0,0,0,0,0.847985541,1.379366594,0.972026069,0.860180862,0,0,0,0,1.406567765,1.20688573,0.953997819,0.695331859,0,0,0,0,1.446584752,1.213788475,0.943076608,0.672822407,0,0,0,0,0.722222222,1.294222222,1.044814815,0.954938272,0,0,0,0,16.74760758,7.82144727,11.6520611,16.74760758,2.791267931,7.823155305,0.25,0.063561946,0.010593658,-1.65344419,21.54644904,3.59107484,1.842126615,16.74844728,7.82298364,11.65422093,16.74844728,2.791407879,7.824688214,0.249265579,0.063619934,0.010603322,-1.652897055,21.54713969,3.591189949,1.842145847,18.88779907,9.23488445,13.74677787,18.75480091,3.125800152,9.235201402,-0.398994478,0.099543305,0.016590551,-1.384297505,18.21345264,3.03557544,1.741296286,16.74933066,7.824596251,11.65648825,16.74933066,2.791555111,7.826297201,0.2484948,0.063680645,0.010613441,-1.652324763,21.5478443,3.591307384,1.842165467,23.00476907,10.81242483,16.38278057,22.64400431,3.774000719,10.81249083,-1.082294264,0.18318402,0.03053067,-1.018358436,50.18210123,8.363683539,2.349395048,16.84619677,7.983147996,11.88091559,16.84619677,2.807699461,7.984531433,0.173134186,0.068991197,0.011498533,-1.60426582,21.52035038,3.586725063,1.84139941,19.70510501,8.154383252,12.58446438,19.70510501,3.284184168,8.156322065,0.414285714,0.003016331,5.03E-04,-3.482228391,26.38995713,4.398326188,1.963790116,0,11.99687761,15.99741729,-0.376622818,0.076563261,5.518438093,6.525760863,6,14,13,13,5,1,1,0,0,1,10.661656,3.582833994,2.766112948,2.546770855,1.313848635,1.074876922,0.545958811,0.083923071,0.083923071,1.861865872,1.289592921,1.048324898,0.582468855,0.296505294,0.083923071,0.083923071,0.083923071,3.548227946,2.800126578,2.449521375,1.413917705,1.062017481,0.452600516,0.270913902,0.270913902,1.843318929,1.211677749,1.019387725,0.433364447,0.149294136,0.270913902,0.270913902,0.270913902,3.690426719,2.95286547,2.740455183,1.848554307,1.553578817,1.094330097,0.943918427,0.943918427,1.661262971,0.983824016,0.66884406,0.074172869,0.4098025,0.943918427,0.943918427,0.943918427,3.549939419,2.825381392,2.44238405,1.489836002,1.118544834,0.43193193,0.399277246,0.399277246,1.831877601,1.162110566,1.000085829,0.333081052,0.054236832,0.399277246,0.399277246,0.399277246,3.724820994,3.028602209,2.801588298,2.036130554,1.731762247,1.208341272,1.207644823,1.207644823,1.624118166,0.9137525,0.599366198,0.256731305,0.596870173,1.207644823,1.207644823,1.207644823,3.775567032,2.882802022,2.803335827,1.599799781,1.489950737,1.046113226,0.588235294,0.588235294,1.728315802,1.067433182,0.760368502,0.206930839,0.165479701,0.588235294,0.588235294,0.588235294,0,0,1,1,0,1,2,0,0,0,0,0,0.125,0,0,0,0,0.048112522,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,3.684269172,2.265959019,1.384804361,0.825429599,0.488641942,0.288675135,0,0,0.614044862,0.377659836,0.230800727,0.1375716,0.081440324,0.048112522,0,0,7.88211032,13.8820102,13.25098039,13.44,8.674457485,107.0102359,0.56300788,0.991572157,0.946498599,0.96,0.619604106,7.643588281,1.23669,24.056,21,27,42,7,21,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,36,0,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,1,0,2,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.888888889,3.8125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.99375,0,0,1.200694444,0.352777778,0,0.99375,0,0,0,0,0,0,0,0,0,0,3.298611111,0,3.8125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.888888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.888888889,1.767361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.427430556,0,0,0.352777778,0.352777778,0,0.427430556,0,0,0,0,0,0,0,0,0,0,0.913194444,0,1.767361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.888888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.888888889,2.045138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.566319444,0,0,0.493402778,0.352777778,0,0.566319444,0,0,0,0,0,0,0,0,0,0,1.194444444,0,2.045138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.888888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,2,0.566319444,4.888888889,0.305555556,0.913194444,2.657430556,0.586805556,1.388888889,2.868055556,0.586805556,1.388888889,2.868055556,2.83333,0.47222,0,0.02778,0.52619,0.82778,0.43333,0.49792,0.82778,0.09286,0.02827,-0.06458,0,0.57047,0.14382,0,0,0,0,5,0.83333,3.5,0.58333,1.5,0.25,-2,-0.33333,0,0,3.19857,0.5331,5,1.80143,0.30024,1.95328,0.32555,3,1.04672,0.17445,-0.086,-0.01433,0,0,0.428571429,6.01,1,1,1,1,0,0,0.6,1.263809174,2.556656707,3.378783493,3.378783493,3.378783493,3.378783493,17.69332843,35.7931939,47.30296891,47.30296891,47.30296891,47.30296891,0.331938892,0.671504695,0.887435914,0.887435914,0.887435914,0.887435914,2.543545748,1.250698215,0.428571429,0.428571429,0.428571429,0.428571429,0.3234821,0.654396801,0.864826749,0.864826749,0.864826749,0.864826749,11.18095047,21.59928596,22.42784591,22.42784591,22.42784591,22.42784591,21.78168418,14.27964528,13.28446114,13.28446114,13.28446114,13.28446114,4.166666667,2.222222222,1.333333333,0,3,0,1.9,0.7202,0,0,0,0,6.083643419,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.424,0.418,0.562,0.397,2.924,6,6,6,6,0,0,0,0,0,36,2.079441542,2.197224577,2.302585093,2.397895273,2.48490665,0,0,0,0,0,3.951243719,1.416666667,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,13,18,3,9.000420062,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,9.23,88.83369113,3.584962501,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,65.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921172722,84.05751488,6.004108205,11.8125,1.96875,2.9375,2.9375,0,27,3,1.115,24,1.308864216,2.300632352,3.116454489,4.014047624,4.774513292,0,0,0,0,0,114.846402,119.8233617,72.94590177,24.69595505,4.851211073,0,0,0,0,0,333.6338713,409.5192865,346.5031558,254.7345587,148.4097509,0,0,0,0,0,10.11398962,17.64707097,22.91646803,28.60518121,32.07739567,0,0,0,0,0,2.289566495,3.04569768,2.990897678,2.695471747,2.122810224,0,0,0,0,0,188.1154147,355.8906388,513.5603624,700.8222421,882.8917874,0,0,0,0,0,3.644731871,5.535843033,5.843430925,6.107005933,4.774513292,0,0,0,0,0,0.514714634,0.70159544,0.690602096,0.632359816,0.488910161,0,0,0,0,0,229.4305442,108.0159677,11.32811866,51.0629643,-24.04045862,-10.0494286,178.3675799,132.0564263,21.37754727,0.817953133,0.385092576,0.040386384,0.182046867,-0.085707718,-0.035827669,64.35377831,30.29777776,3.177463748,14.32283001,-6.743192584,-2.818799488,0.188405126,0.750534897,7.081274491,18.40334269,255.973206,24.52030247,0.912581569,0.087418431,409.0720111,20.2255287,7.423349737,486.9929244,22.06791618,7.867574857,602.213091,24.54003038,8.444683892,1.168293108,1.036298759,214.3802122,128.4662423,107.3988812,1.668766894,1.996112156,1.196159969,3.275874116,3.511567905,5.001891855,0.424404138,2.394522202,2.23026856,6.788774496,8.586255264,5.549843779,6.000698854,4.97462757,1.864348043,2.00953565,1.91E-11,5.54E-44,3.40E-98,4.08E-174,9.48E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.200956851,2.641499821,0.624561735,3.330334297,2.537114575,0.498036943,0.280485607,0.01313079,0.014153324,1.35E-13,3.90E-46,2.39E-100,2.88E-176,6.67E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.648710018,1.876809159,1.530045856,3.324053318,2.57121827,1.39079833,0.974492668,0.136832687,0.147488547,1.40E-12,4.07E-45,2.49E-99,3.00E-175,6.95E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.260233864,2.639920004,6.972582625,8.820378078,5.659454329,6.094434954,4.643073553,1.661100565,1.790460086,1.70E-11,4.94E-44,3.03E-98,3.64E-174,8.44E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.956078629,1.586219307,2.082452864,3.673093469,2.720180719,1.942230181,1.516851144,0.297218796,0.320364833,3.05E-12,8.83E-45,5.42E-99,6.51E-175,1.51E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.891732217,2.489739463,8.966385767,10.48475138,6.948612933,7.774254771,6.503449825,2.718976294,2.930718887,2.79E-11,8.08E-44,4.96E-98,5.95E-174,1.38E-271,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.367593281,4.089236646,4.745861482,7.996157181,4.781167633,4.182674738,2.655300818,0.645103207,0.695341055,6.62E-12,1.92E-44,1.18E-98,1.41E-174,3.28E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.274313156,1.490995656,0.525030898,0.53010095,0.347523916,0.618045437,0.563210742,0.46048828,4.290339711,5.367894506,11.43860929,0.316437299,1.64174446,1.450206578,1.218313041,0.12847137,0.518488112,0.435579895,0.242930012,0.338737957,0.029697321,2.796990989,2.109633957,5.133608879,0.431102011,0.61136529,1.835996257,1.235248319,0.281564661,0.547599379,0.368421891,0.393831306,0.391481918,0.138354909,3.352809237,3.132665227,7.124038136,0.374031905,0.923668133,2.197194827,1.506986068,0.502035632,0.522368455,0.358275913,0.576536753,0.577029989,0.426763488,4.206216527,5.17077279,11.03930058,0.320966552,1.58033023,2.019337453,1.26541588,0.359482419,0.554118227,0.347237656,0.48001112,0.410216298,0.22059573,3.644235752,3.736112754,8.298934534,0.352033824,1.110823149,2.318801357,1.535121671,0.555300161,0.525897932,0.34816148,0.644382381,0.595040182,0.513387117,4.409223189,5.699726291,12.08561937,0.311089118,1.752809681,2.235957425,1.492382337,0.51002649,0.527551724,0.352112642,0.596236323,0.565675985,0.436910552,4.238366251,5.238455407,11.17873077,0.319496549,1.59882286 +UMLMON0066,L,dihydropyran,C1CC=COC1,8080,,UML,[1],C5H8O,PubChem,,48.7,0,-0.1376,0.01893376,32.1441,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1201.620678,1038.308381,843.58378,646.827051,450.070322,253.313593,67.647888,3885.475125,4800.404174,5918.743752,5679.440657,4734.809801,3728.011456,2721.213111,1714.414766,791.2692929,167.819552,166.665724,297.885336,383.205812,333.75784,270.87294,207.98804,145.10314,82.617408,29.42500648,37.33900896,50.80061251,52.22949897,44.09719592,35.07566706,26.0541382,17.03260934,8.680011884,3973.037281,3337.521256,6559.333793,9116.771878,8007.652027,6528.696872,5049.741717,3570.786562,2060.036303,44.25,50,71.25,82,71.75,59.5,47.5,35,20,48.76541633,52.3287937,28.61001614,18.8783342,17.57466208,16.585309,15.00234407,12.06255205,5.637324,161.8947969,208.713225,140.9224703,103.2625574,98.64187085,95.59003733,90.70710369,81.63879838,65.93910774,6.992481333,7.246335826,7.092508,6.9673784,6.953288333,6.94546,6.932934667,6.909673333,6.884784,1.226041937,1.623435172,1.209538393,0.949627254,0.918691582,0.899376078,0.868471273,0.811076635,0.723334324,165.54322,145.1096198,156.1746141,165.7594887,166.8260839,167.4024839,168.3247239,170.0374553,171.6696919,1.84375,2.173913043,1.696428571,1.490909091,1.494791667,1.525641026,1.583333333,1.666666667,1.666666667,0.053503502,-0.007612405,-0.024941843,0.001659595,0.00114453,1.87E-04,0.001770811,-0.001763451,-0.004526568,645.6853813,-53.80711511,-282.4873543,-26.90355756,-2.74E-13,-2.74E-13,-2.45E-13,-1.88E-13,-40.35533633,1200.679538,-100.0566282,-525.297298,-50.0283141,1.42E-13,1.42E-13,1.42E-13,8.53E-14,-75.04247115,0.126485333,-0.010540444,-0.055337333,-0.005270222,-7.38E-16,-7.38E-16,-7.24E-16,-7.17E-16,-0.007905333,5.367596186,-0.447299682,-2.348323331,-0.223649841,-3.14E-15,-2.69E-15,-2.91E-15,-2.91E-15,-0.335474762,29.15686767,-2.429738973,-12.75612961,-1.214869486,2.73E-14,2.73E-14,2.73E-14,2.73E-14,-1.822304229,5.489583333,-0.542100694,-1.346354167,-0.101128472,-0.052083333,-0.149739583,0.002604167,0.290364583,-1.286458333,0.002229313,-3.31E-04,-5.94E-04,3.02E-05,2.38E-05,4.79E-06,5.90E-05,-8.40E-05,-3.77E-04,26.90355756,-2.339439787,-6.725889389,-0.489155592,-5.70E-15,-7.01E-15,-8.17E-15,-8.97E-15,-3.362944694,50.0283141,-4.350288182,-12.50707852,-0.909605711,2.96E-15,3.64E-15,4.74E-15,4.06E-15,-6.253539262,0.005270222,-4.58E-04,-0.001317556,-9.58E-05,-1.54E-17,-1.89E-17,-2.41E-17,-3.42E-17,-6.59E-04,0.223649841,-0.019447812,-0.05591246,-0.004066361,-6.53E-17,-6.90E-17,-9.71E-17,-1.39E-16,-0.02795623,1.214869486,-0.105640825,-0.303717372,-0.022088536,5.69E-16,7.00E-16,9.10E-16,1.30E-15,-0.151858686,0.228732639,-0.023569595,-0.032056052,-0.001838699,-0.001085069,-0.003839476,8.68E-05,0.013826885,-0.107204861,-0.148464651,-0.266384094,0.013535318,0.010695838,0.002147222,0.026477682,-0.037668053,-0.169206412,-0.086956522,-0.25,-0.018181818,-2.12E-16,-2.61E-16,-3.04E-16,-3.33E-16,-0.125,-0.086956522,-0.25,-0.018181818,5.92E-17,7.28E-17,9.47E-17,8.12E-17,-0.125,-0.086956522,-0.25,-0.018181818,-2.92E-15,-3.59E-15,-4.58E-15,-6.48E-15,-0.125,-0.086956522,-0.25,-0.018181818,-2.92E-16,-3.09E-16,-4.34E-16,-6.21E-16,-0.125,-0.086956522,-0.25,-0.018181818,4.68E-16,5.76E-16,7.49E-16,1.07E-15,-0.125,-0.103044303,-0.140146381,-0.008038641,-0.004743833,-0.016785871,3.80E-04,0.060449986,-0.468690702,1.46255088,1.247155141,0.792871074,0.823120668,0.882929417,0.948883431,1.201363069,1.463148389,1.5,1.386160714,0.940909091,0.8984375,0.884615385,0.8625,0.821428571,0.8984375,1.5,1.386160714,0.940909091,0.8984375,0.884615385,0.8625,0.821428571,0.8984375,1.5,1.386160714,0.940909091,0.8984375,0.884615385,0.8625,0.821428571,0.8984375,1.5,1.386160714,0.940909091,0.8984375,0.884615385,0.8625,0.821428571,0.8984375,1.5,1.386160714,0.940909091,0.8984375,0.884615385,0.8625,0.821428571,0.8984375,1.457305503,0.885334779,0.733206831,0.796489564,0.926580061,1.099810247,1.346706425,2.44402277,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,55.64149358,27.59158012,45.54212847,55.35072685,6.918840856,27.59158012,-0.458333333,0.096068521,0.012008565,-1.874154867,32.16958652,4.021198315,2.77681719,0,11.79,12.21005852,-0.306948036,0.113285108,5.104114357,7.254850364,7,23,22,22,6,1,1,0,0,1,17.491312,3.499160109,3.261892624,2.866142824,2.367020356,1.854778102,1.428728893,1.154729458,0.911583284,1.90685943,1.724640433,1.462982189,1.163203169,0.876196978,0.658149334,0.530820245,0.349799307,3.526506373,3.292994309,2.907712769,2.425088861,1.934077794,1.531020425,1.275852041,1.039703963,1.847031613,1.657108886,1.379536666,1.05738938,0.748287346,0.512853664,0.374912327,0.188525437,3.647095365,3.43022517,3.089398352,2.675189698,2.267171913,1.946675374,1.753140211,1.541491986,1.67121938,1.457667125,1.12525037,0.723635115,0.329982017,0.022663773,0.161798045,0.36957908,3.546673641,3.315940082,2.938314837,2.467677392,1.991806547,1.604668603,1.362086193,1.130728725,1.808942169,1.614010834,1.32557352,0.988009577,0.663274327,0.415218402,0.269432974,0.079216254,3.705967436,3.497172465,3.176520053,2.792327443,2.4180915,2.128111279,1.955308783,1.75262374,1.616497054,1.395406539,1.043649345,0.612900335,0.185586541,0.153105649,0.359488595,0.576481456,3.62577018,3.361446783,3.001536348,2.52184971,2.041216797,1.662932024,1.430961668,1.275475833,1.85785137,1.572028124,1.210277112,0.869281739,0.571048337,0.327680367,0.17591631,0.076687118,0,0,1,1,0,1,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.819990956,3.523603362,2.138010441,1.261801681,0.71545183,0.380900841,0.174230856,0.072168784,0.72749887,0.503371909,0.356335073,0.252360336,0.178862957,0.126966947,0.087115428,0.072168784,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,6,1,0,2,0,0,0,0,0,0,0,0,1,1,5,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.654015023,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380644487,0.322050737,0,0,1.397304776,0.290277778,0,0.702695224,0,0,0,0,0,0,0,0,2.230069444,3.658320578,6.615915533,0,1.995694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.995694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380644487,0.322050737,0,0,0.209008291,0.290277778,0,0.322050737,0,0,0,0,0,0,0,0,2.230069444,3.658320578,1.194444444,0,1.995694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.658320578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380644487,0.322050737,0,0,0.290277778,0.290277778,0,0.380644487,0,0,0,0,0,0,0,0,2.230069444,3.658320578,1.382777778,0,1.995694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.5,1.8125,0.380644487,3.658320578,0.209008291,1.194444444,5.874401675,0.305555556,0.658320578,1.776780045,0.305555556,0.658320578,1.776780045,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.25,0,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,6.67662,0.83458,7.95768,1.28106,0.16013,3.34933,0.41867,3.91421,0.56488,0.07061,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,0.75,0.918295834,2.049104007,3.136842188,3.522055209,3.351227481,3.234697003,22.03910002,49.17849618,75.28421252,84.52932501,80.42945954,77.63272806,0.200284263,0.446918379,0.684158745,0.768175358,0.730917097,0.7055013,3.666666667,2.535858493,1.448120313,1.062907292,1.23373502,1.350265498,0.200284263,0.446918379,0.684158745,0.768175358,0.730917097,0.7055013,6.73287657,15.20065,19.04494351,18.17141227,16.51296263,17.88180548,31.59900002,22.2783271,17.20000052,17.91052656,20.46064886,18.69150037,8,7,7.2,8,2,8,2.34,1.1928,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,3.659,6,5,4,3,2,1,0,0,0,36,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,3.784189634,1.194444444,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.714285714,6,0.857142857,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,144.287877,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,112.1252005,4.671883355,14.83110795,1.853888494,0,0,0,84,5,4.526,26,1.227,2.135021502,2.87271673,3.609229398,4.944776656,5.968097746,7.284032002,8.421556588,9.604031182,0,74.89491166,68.33896335,65.97266073,82.12742441,97.47332984,106.1109762,99.29809039,50.71865096,9.758310339,0,281.0620545,321.5844338,326.6934522,419.4600868,520.3934691,599.0538661,635.0148623,579.7744956,298.5292508,0,8.925452504,15.18954941,20.06936237,25.28027084,34.46625388,41.54899984,50.45278224,58.0973361,64.52433775,0,2.127440242,2.708766954,2.900800532,3.733551311,4.749323681,5.56689376,6.177667548,6.287232216,4.270076202,0,175.9203541,330.0647106,472.4996586,588.2662477,818.7466217,991.5524744,1229.29127,1436.427438,1775.954896,0,2.737826087,3.720872609,4.419903102,5.80043007,7.863384284,9.954476016,12.63467659,14.48293826,9.604031182,0,0.440993152,0.572718043,0.620474507,0.798342017,1.02041993,1.1994567,1.341310964,1.385444896,0.983452793,0,415.7175311,210.2061087,13.19232656,173.7223507,-87.84209613,-12.06912162,241.9951804,298.0482048,25.26144818,0.70527554,0.356620099,0.022381123,0.29472446,-0.149026387,-0.020475577,245.0404923,123.9038639,7.776083408,102.3988818,-51.77763476,-7.114021619,0.111994905,0.202968794,2.311560402,5.272436358,589.4398817,0,1,0,455.2209468,21.33590745,7.692616449,610.8504609,24.71538915,8.484865622,686.8263951,26.20737291,8.8229874,2.777473789,2.777473789,964.4923415,940.4156404,44.09371502,1.025602191,21.873692,21.32765724,4.377916779,5.645455692,10.18967585,0.804934163,4.707395531,5.811914061,3.423507979,22.8915296,10.38655183,1.027386561,5.621029591,8.400079893,12.598261,0.615455517,2.064246697,6.957449928,4.169728739,4.577268803,1.829291087,3.154821331,1.076405436,2.577035344,0.054773684,1.31E-04,6.08E-29,5.43E-75,9.35E-143,3.11E-232,0,0,0,0,0,0,0.395069795,5.811642349,0.228498339,5.947207138,0.07636546,0.084819839,0.658700664,0.238179693,3.885512489,0.022869791,0.063202073,0.436718209,0.140021805,1.546726892,0.085352095,0.144811926,0.065410342,0.081404848,3.86E-04,9.26E-07,4.28E-31,3.82E-77,6.59E-145,2.19E-234,0,0,0,0,0,0,1.275307413,5.811661064,0.776374028,7.20250477,0.770566712,0.267534425,1.662630853,1.076448253,5.097705605,0.092791178,0.248709931,1.489672522,0.59032617,2.078805078,0.320444561,0.492697652,0.227498612,0.351653056,0.004020079,9.65E-06,4.46E-30,3.99E-76,6.86E-144,2.28E-233,0,0,0,0,0,0,4.443398039,5.811884427,3.191016053,21.07472045,9.256442423,0.966257644,5.314060089,7.607583937,11.86454712,0.561122292,1.862872558,6.459884848,3.791345114,4.36113328,1.67976411,2.876264282,0.99884917,2.339646622,0.048802366,1.17E-04,5.42E-29,4.84E-75,8.33E-143,2.77E-232,0,0,0,0,0,0,1.879562943,5.811684821,1.183440529,8.718462259,1.665869565,0.395837455,2.354465863,1.897669234,6.097973861,0.155944255,0.442253139,2.295056214,1.009973166,2.46974966,0.517720733,0.810646007,0.351914,0.608182478,0.008732148,2.10E-05,9.70E-30,8.66E-76,1.49E-143,4.95E-233,0,0,0,0,0,0,5.684859415,5.812038544,4.326213258,30.50340832,15.13733263,1.257609005,6.761209324,11.6668225,15.54232799,0.837127715,2.899397296,8.911401842,5.720234662,5.412274358,2.43147781,4.293247865,1.381346531,3.552044972,0.079882269,1.92E-04,8.87E-29,7.92E-75,1.36E-142,4.53E-232,0,0,0,0,0,0,2.660894079,4.505194832,1.762255734,10.3748601,3.1764498,0.462278281,3.672143472,2.911382206,7.356804651,0.224038733,0.708453377,3.493936244,1.491211858,3.931910824,0.843766728,1.644887007,0.55655195,1.051441862,0.016673084,4.00E-05,1.85E-29,1.65E-75,2.85E-143,9.45E-233,0,0,0,0,0,0,9.080188488,0.804072952,0.413783256,0.881739083,0.078080158,0.520606947,0.59589624,0.499989195,10.2980447,11.39107585,24.71020753,0.822608625,1.616492381,8.355894871,0.303918573,0.089205145,0.955066535,0.034737447,0.441044366,0.085171143,0.023237778,8.749018589,3.312011558,12.28756765,0.932599803,0.549453287,8.643324566,0.502799878,0.218117035,0.923013848,0.053693604,0.471807125,0.233279132,0.138929338,9.364241479,6.340788086,16.65293622,0.884520773,0.844015594,9.062233572,0.791713986,0.405747617,0.883284875,0.077167398,0.518552571,0.57777528,0.480758253,10.25969517,11.1729128,24.34372421,0.824927313,1.577086104,8.771545273,0.591347999,0.275578371,0.910055619,0.061352881,0.485873955,0.32265687,0.22177115,9.638471643,7.767246623,18.83515313,0.865083428,1.030301975,9.13640801,0.842758102,0.438940698,0.876973924,0.080893594,0.527066575,0.654396093,0.562634674,10.41810681,12.08004402,25.87789846,0.815460886,1.744097342,9.139061334,0.790939852,0.405754626,0.884218,0.076524626,0.527381383,0.576627893,0.480774863,10.33575581,11.25759173,24.52632369,0.826327,1.584784139 +UMLMON0067,L,1-Octene,CCCCCCC=C,8125,,"Sandia, UML",[1],C8H16,PubChem,,34.7,0,0.3502,0.12264004,35.1364,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1190.529654,1024.169165,840.535588,646.827051,450.070322,264.404617,81.787104,3885.475125,4800.404174,5835.09088,5502.536552,4641.558567,3728.011456,2721.213111,1798.067638,968.1733981,167.819552,166.665724,297.486168,362.651252,313.602448,270.87294,207.98804,145.502308,103.171968,29.42500648,37.33900896,50.13168111,50.22672885,42.7633572,35.07566706,26.0541382,17.70154074,10.682782,3973.037281,3337.521256,6591.128897,8593.814026,7452.899071,6528.696872,5049.741717,3538.991458,2582.994154,41,48.75,71.5,77.75,67,58,45,31.5,21,48.76541633,52.3287937,28.34594414,19.69556087,18.67856862,16.585309,15.00234407,12.59069605,5.4524736,161.8947969,208.713225,138.9307352,105.8180106,103.1457459,95.59003733,90.70710369,85.62226847,64.54489321,6.992481333,7.246335826,7.083004,6.974062538,6.968943289,6.94546,6.932934667,6.928681333,6.8781312,1.226041937,1.623435172,1.193611455,0.965898632,0.950296827,0.899376078,0.868471273,0.842930512,0.712185467,165.54322,145.1096198,156.9316404,165.2656544,165.6199794,167.4024839,168.3247239,168.5234028,172.1996103,1.708333333,2.119565217,1.702380952,1.495192308,1.488888889,1.487179487,1.5,1.5,1.4,0.048481871,-0.002709104,-0.024462217,-0.002909332,0.001969961,0.002709864,-0.001385018,-0.002710404,-3.63E-04,645.6853813,-53.80711511,-242.132018,-26.90355756,-40.35533633,-2.74E-13,-2.17E-13,-40.35533633,-40.35533633,1200.679538,-100.0566282,-450.2548269,-50.0283141,-75.04247115,1.42E-13,1.42E-13,-75.04247115,-75.04247115,0.126485333,-0.010540444,-0.047432,-0.005270222,-0.007905333,-7.38E-16,-7.24E-16,-0.007905333,-0.007905333,5.367596186,-0.447299682,-2.01284857,-0.223649841,-0.335474762,-2.69E-15,-2.69E-15,-0.335474762,-0.335474762,29.15686767,-2.429738973,-10.93382538,-1.214869486,-1.822304229,2.73E-14,2.73E-14,-1.822304229,-1.822304229,3.5,-0.3125,-1,-0.375,-0.1875,0.1875,0,-0.0625,-0.5625,0.002020078,-1.18E-04,-5.82E-04,-5.59E-05,4.38E-05,6.95E-05,-4.62E-05,-1.29E-04,-2.42E-05,26.90355756,-2.339439787,-5.765048048,-0.517376107,-0.896785252,-7.01E-15,-7.22E-15,-1.921682683,-2.690355756,50.0283141,-4.350288182,-10.72035302,-0.962082963,-1.66761047,3.64E-15,4.74E-15,-3.573451007,-5.00283141,0.005270222,-4.58E-04,-0.001129333,-1.01E-04,-1.76E-04,-1.89E-17,-2.41E-17,-3.76E-04,-5.27E-04,0.223649841,-0.019447812,-0.047924966,-0.004300958,-0.007454995,-6.90E-17,-8.97E-17,-0.015974989,-0.022364984,1.214869486,-0.105640825,-0.260329176,-0.023362875,-0.04049565,7.00E-16,9.10E-16,-0.086776392,-0.121486949,0.145833333,-0.013586957,-0.023809524,-0.007211538,-0.004166667,0.004807692,0,-0.00297619,-0.0375,-0.058308203,-0.28832241,-0.027696304,0.021670904,0.034396537,-0.022854204,-0.063892023,-0.011994419,-0.086956522,-0.214285714,-0.019230769,-0.033333333,-2.61E-16,-2.69E-16,-0.071428571,-0.1,-0.086956522,-0.214285714,-0.019230769,-0.033333333,7.28E-17,9.47E-17,-0.071428571,-0.1,-0.086956522,-0.214285714,-0.019230769,-0.033333333,-3.59E-15,-4.58E-15,-0.071428571,-0.1,-0.086956522,-0.214285714,-0.019230769,-0.033333333,-3.09E-16,-4.01E-16,-0.071428571,-0.1,-0.086956522,-0.214285714,-0.019230769,-0.033333333,5.76E-16,7.49E-16,-0.071428571,-0.1,-0.093167702,-0.163265306,-0.049450549,-0.028571429,0.032967033,0,-0.020408163,-0.257142857,1.384171883,1.386403607,0.982155294,0.872996103,0.858948664,1.004375454,1.026454596,0.690323846,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.153911565,0.900412088,0.876190476,0.884615385,1.013095238,1.056122449,1.314285714,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,47.14902419,23.49117876,38.74380497,47.02402419,5.878003023,23.49117876,-0.166666667,0.171637148,0.021454644,-1.409898108,43.9995647,5.499945587,3.027343793,0,11.89,12.11011416,-0.181126041,0.043400338,5.117889282,7.339208173,7,23,22,22,6,1,1,0,0,1,17.491312,3.516410379,3.260192645,2.823237318,2.344112785,1.920737629,1.494056811,1.172188343,0.765552708,1.901938035,1.72467367,1.474847659,1.164158257,0.882472781,0.674819937,0.537244778,0.264948938,3.54138316,3.291623903,2.869140784,2.405337091,1.995042692,1.591223913,1.292051298,0.900237444,1.843800879,1.65715269,1.384863832,1.057160999,0.760994059,0.53404755,0.382288668,0.098420393,3.65314551,3.429835184,3.069028381,2.666187107,2.307265261,1.988228,1.764958626,1.426151911,1.675814026,1.457393086,1.108296945,0.716211496,0.366260137,0.061177417,0.150663185,0.481037356,3.559889259,3.314785609,2.90289955,2.450078683,2.049119366,1.661310387,1.377423667,0.995868659,1.807023717,1.614042512,1.326467596,0.986753469,0.680473159,0.439587027,0.277483129,0.014673394,3.708637808,3.49702726,3.164338757,2.786888017,2.449121696,2.162581267,1.965546246,1.646282426,1.624538704,1.394834473,1.018829109,0.601637524,0.230713349,0.107394532,0.346721507,0.697172227,3.600434656,3.346254527,2.951277354,2.538830202,2.133102629,1.731107366,1.460951897,1.156437592,1.8127061,1.529787877,1.240841402,0.887362892,0.564358143,0.329985093,0.163977797,0.182051654,0,0,0,2,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.983127663,3.526038674,2.06481751,1.210046463,0.678855364,0.345522031,0.166666667,0.083333333,0.747890958,0.503719811,0.344136252,0.242009293,0.169713841,0.11517401,0.083333333,0.083333333,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,2,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.3525,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.621425737,0,0,1.188296485,0.580555556,0,0.621425737,0,0,0,0,0,0,0,0,4.307148526,0,5.340351474,0,4.3525,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.120694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.299375,0,0,0.212046485,0.290277778,0,0.299375,0,0,0,0,0,0,0,0,2.075342971,0,1.268194444,0,2.120694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.231805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.322050737,0,0,0.290277778,0.290277778,0,0.322050737,0,0,0,0,0,0,0,0,2.231805556,0,1.379305556,0,2.231805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,1.75,0.322050737,2.231805556,0.212046485,1.268194444,5.653437574,0.231805556,0.231805556,1.319297052,0.231805556,0.231805556,1.319297052,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.25,0,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,6.82804,0.85351,7.95768,1.12964,0.1412,3.31066,0.41383,3.91421,0.60355,0.07544,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,0.75,0.918295834,1.999218484,3.375814584,3.772055209,3.569773835,3.720175521,22.03910002,47.98124361,81.01955001,90.52932501,85.67457204,89.28421252,0.200284263,0.436038132,0.73627965,0.822701431,0.778582995,0.811386248,3.666666667,2.585744017,1.209147917,0.812907292,1.015188666,0.864786979,0.200284263,0.436038132,0.73627965,0.822701431,0.778582995,0.811386248,6.73287657,15.72064472,20.20180045,19.68512709,19.48126286,20.54885602,31.59900002,20.72164002,15.6149125,15.48446146,16.11929522,14.59924844,8,7,7.2,8,2,8,2.34,1.1928,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.706,6,5,4,3,2,1,0,0,0,36,2.197224577,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.098612289,0,0,0,3.891820298,1.333333333,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,144.287877,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,112.1252005,4.671883355,14.83110795,1.853888494,0,0,0,84,5,4.481,26,1.214698506,2.111946797,2.890912379,3.665430407,4.990116326,6.006179746,7.370928799,8.438677063,9.588971408,0,74.59287549,68.07169963,69.58781631,88.00654661,98.17817293,106.8735231,104.411641,49.34957978,9.743008645,0,279.2929078,317.2674582,338.4573711,444.2963429,524.2354166,603.5613706,672.078499,569.8493862,298.0611366,0,8.837405096,15.0146574,20.22072175,25.7362363,34.77860213,41.81745126,51.19515851,58.16246021,64.4231592,0,2.111801123,2.667690823,2.9800592,3.919148041,4.786008611,5.607939824,6.486999353,6.211222425,4.263380432,0,174.0672186,327.3989664,473.7157511,592.6381214,826.5416995,997.6138005,1232.76776,1443.567958,1773.170078,0,2.665748365,3.716819411,4.465163269,5.853421615,7.715188207,9.449594837,11.3962557,12.1151044,9.588971408,0,0.437667185,0.56395952,0.636465015,0.83646492,1.028380649,1.208247964,1.40577794,1.369996933,0.981910672,0,401.8912509,194.7745357,11.54683235,136.7072879,-66.25448667,-8.579509836,265.183963,261.0290224,20.12634218,0.746179616,0.361632128,0.021438663,0.253820384,-0.123012749,-0.015929323,216.4580405,104.9052803,6.21910703,73.6303455,-35.68456971,-4.620911461,0.117378848,0.187832664,1.921528797,1.659890598,538.5985388,0,1,0,457.3151037,21.38492702,7.704394544,617.5271972,24.85009451,8.515667515,685.5015026,26.18208362,8.817310548,2.802101292,2.802101292,996.2368083,972.154791,43.03733749,1.024771793,23.14819797,22.58863693,4.408175219,5.629489865,10.2542379,0.821521691,6.526337356,5.866687868,3.031038833,25.36782331,11.08354419,2.478218698,4.344351894,7.260096537,13.36381143,1.403748849,1.689213514,6.228866334,3.696919054,4.534592382,1.354924481,0.494275581,3.736399363,4.127931346,0.003125076,0.004761328,1.40E-24,7.96E-68,8.72E-133,1.84E-219,0,0,0,0,0,0,0.547718297,5.860307432,0.250127953,6.150244679,0.085937859,0.081355544,0.92443444,0.210871668,4.284034507,0.038644582,0.067473604,0.577945636,0.135767015,2.134883373,0.049107878,0.024215115,0.181195375,0.10524665,2.21E-05,3.35E-05,9.87E-27,5.61E-70,6.14E-135,1.30E-221,0,0,0,0,0,0,1.768081906,5.860733937,0.81024142,7.520865856,0.833703249,0.344683636,1.622234109,0.943248375,5.428115738,0.176911738,0.264627332,1.723497056,0.553248766,2.603967108,0.201094015,0.089236363,0.650097592,0.498670724,2.30E-04,3.49E-04,1.03E-25,5.84E-69,6.40E-134,1.35E-220,0,0,0,0,0,0,6.160330581,5.865987406,2.858129692,23.28848978,9.880661114,2.251560459,4.134888511,6.578604538,12.55702898,1.270516446,1.54257017,5.880118488,3.369443457,4.380343949,1.234456191,0.454557474,3.427908276,3.730362339,0.002784435,0.004242257,1.25E-24,7.09E-68,7.77E-133,1.64E-219,0,0,0,0,0,0,2.605823266,5.861286785,1.196977488,9.219524554,1.791534945,0.592531265,2.101334366,1.655782549,6.424095948,0.313509453,0.439718323,2.512234389,0.931711677,2.932138907,0.339442634,0.143054608,1.048230742,0.895734517,4.98E-04,7.59E-04,2.23E-25,1.27E-68,1.39E-133,2.93E-220,0,0,0,0,0,0,7.881495701,5.869633185,3.674268064,34.09177459,16.13861969,3.408179832,5.120012342,10.06714674,16.63587019,1.953435595,2.285943336,7.523304696,5.033702424,5.114038883,1.846979853,0.653756929,4.981749601,5.771743772,0.004557399,0.006943949,2.04E-24,1.16E-67,1.27E-132,2.68E-219,0,0,0,0,0,0,3.751314004,5.402970234,1.761989127,12.15972248,3.650327787,0.943713353,2.820576394,2.710009961,8.013164847,0.519440506,0.667723396,3.939880652,1.459607761,3.839236595,0.526447521,0.248840604,1.833920286,1.671425024,0.001020733,0.001554719,4.58E-25,2.60E-68,2.85E-133,6.01E-220,0,0,0,0,0,0,9.989662968,0.791997201,0.391836371,0.894049856,0.070881769,0.546168486,0.564944328,0.499981925,11.17349654,12.1364317,26.4100534,0.841074783,1.611094739,8.612190486,0.29935366,0.084473743,0.957333633,0.033276241,0.40648465,0.081337868,0.02323744,8.996017889,3.330882229,12.54468109,0.936000449,0.511059959,9.158885123,0.495408406,0.206548202,0.928813723,0.050239971,0.459427428,0.222343012,0.138927318,9.860841731,6.531465649,17.32949685,0.893220585,0.820697758,9.955523237,0.779838128,0.384226938,0.895314014,0.070131925,0.542454376,0.547892674,0.480751262,11.1195883,11.88851163,25.99112131,0.842971021,1.571098313,9.402743284,0.582624215,0.260961813,0.91766944,0.05686175,0.484101623,0.307091204,0.221767926,10.24632931,8.084065532,19.76001305,0.87650416,1.012960753,10.09655636,0.830052998,0.415659473,0.890170786,0.073182272,0.557880557,0.619951174,0.562626493,11.34226883,12.92242557,27.74820214,0.835256179,1.740458224,9.989533353,0.77989296,0.384580142,0.895600464,0.069920433,0.546158199,0.547858179,0.481635537,11.15400645,11.93247423,26.08265486,0.843400696,1.575651916 +UMLMON0068,L,2-octene,CCCCCC=CC,8126,,UML,[1],C8H16,PubChem,,56.5,0,1.147,1.315609,15.8797,9.280758,0,0,9,3,6,0,3,0,0,0,0,0,0,0,0,0,438.888747,361.17077,233.077993,65.61576,6.096384,0,0,0,0,1457.053172,1535.453502,1351.008194,729.101804,186.5024666,0,0,0,0,62.932332,57.786824,84.237796,69.18048,40.310784,0,0,0,0,11.03437743,12.25906586,12.36216179,7.790786074,2.667677429,0,0,0,0,1489.88898,1172.323998,1938.322798,1690.200999,1109.505912,0,0,0,0,23,24,25,18,6,0,0,0,0,48.76541633,45.14634625,19.42316608,6.561576,1.016064,0,0,0,0,161.8947969,191.9316877,112.5840162,72.9101804,31.08374443,0,0,0,0,6.992481333,7.223353,7.019816333,6.918048,6.718464,0,0,0,0,1.226041937,1.532383233,1.030180149,0.779078607,0.444612905,0,0,0,0,165.54322,146.5404998,161.5268998,169.0200999,184.917652,0,0,0,0,2.555555556,3,2.083333333,1.8,1,0,0,0,0,0.03272013,-0.005957556,-0.016261901,-0.002805215,0.008664608,0,0,0,0,242.132018,-53.80711511,-80.71067267,-67.25889389,80.71067267,0,0,0,0,450.2548269,-100.0566282,-150.0849423,-125.0707852,150.0849423,0,0,0,0,0.047432,-0.010540444,-0.015810667,-0.013175556,0.015810667,0,0,0,0,2.01284857,-0.447299682,-0.670949523,-0.559124603,0.670949523,0,0,0,0,10.93382538,-2.429738973,-3.644608459,-3.037173716,3.644608459,0,0,0,0,4.222222222,-1.197530864,-0.518518519,-1.580246914,1.185185185,0,0,0,0,0.00363557,-7.45E-04,-0.001355158,-2.81E-04,0.001444101,0,0,0,0,26.90355756,-6.725889389,-6.725889389,-6.725889389,13.45177878,0,0,0,0,50.0283141,-12.50707852,-12.50707852,-12.50707852,25.01415705,0,0,0,0,0.005270222,-0.001317556,-0.001317556,-0.001317556,0.002635111,0,0,0,0,0.223649841,-0.05591246,-0.05591246,-0.05591246,0.111824921,0,0,0,0,1.214869486,-0.303717372,-0.303717372,-0.303717372,0.607434743,0,0,0,0,0.469135802,-0.149691358,-0.043209877,-0.158024691,0.197530864,0,0,0,0,-0.204835708,-0.372749927,-0.077160265,0.397214573,0,0,0,0,-0.25,-0.25,-0.25,0.5,0,0,0,0,-0.25,-0.25,-0.25,0.5,0,0,0,0,-0.25,-0.25,-0.25,0.5,0,0,0,0,-0.25,-0.25,-0.25,0.5,0,0,0,0,-0.25,-0.25,-0.25,0.5,0,0,0,0,-0.319078947,-0.092105263,-0.336842105,0.421052632,0,0,0,0,1.378456319,1.291796158,0.897481293,0.082663771,0,0,0,0,1.5,1.166666667,1,0,0,0,0,0,1.5,1.166666667,1,0,0,0,0,0,1.5,1.166666667,1,0,0,0,0,0,1.5,1.166666667,1,0,0,0,0,0,1.5,1.166666667,1,0,0,0,0,0,1.539473684,0.868421053,1.326315789,0,0,0,0,0,4.113090584,2.056545292,3.657501181,4.113090584,1.371030195,2.267443683,0,0.141134415,0.047044805,-0.587412764,4.66593107,1.555310357,0.46208622,4.113090584,2.056545292,3.657501181,4.113090584,1.371030195,2.267443683,0,0.141134415,0.047044805,-0.587412764,4.66593107,1.555310357,0.46208622,4.113090584,2.056545292,3.657501181,4.113090584,1.371030195,2.267443683,0,0.141134415,0.047044805,-0.587412764,4.66593107,1.555310357,0.46208622,4.113090584,2.056545292,3.657501181,4.113090584,1.371030195,2.267443683,0,0.141134415,0.047044805,-0.587412764,4.66593107,1.555310357,0.46208622,4.113090584,2.056545292,3.657501181,4.113090584,1.371030195,2.267443683,0,0.141134415,0.047044805,-0.587412764,4.66593107,1.555310357,0.46208622,4.113090584,2.056545292,3.657501181,4.113090584,1.371030195,2.267443683,0,0.141134415,0.047044805,-0.587412764,4.66593107,1.555310357,0.46208622,5.051988955,2.470438922,4.589982952,5.014951918,1.671650639,2.608431838,-0.111111111,0.160167306,0.053389102,-0.549460904,3.985454512,1.328484837,0.414795408,0,11.79,12.21000952,-0.308595293,0.111507076,4.466059776,5.222190813,2,8,7,7,1,1,1,0,0,1,6.559242,3.275337194,2.229890553,0.967861063,0.083923071,0.083923071,0.083923071,0.368102749,1.128107366,1.725109484,1.128107366,0.368102749,0.083923071,0.083923071,0.083923071,0.967861063,2.229890553,3.304830219,2.299451583,1.090122529,0.270913902,0.270913902,0.270913902,0.209041944,1.01437374,1.658246942,1.01437374,0.209041944,0.270913902,0.270913902,0.270913902,1.090122529,2.299451583,3.436393989,2.590767018,1.574881347,0.943918427,0.943918427,0.943918427,0.338442169,0.645766573,1.462962669,0.645766573,0.338442169,0.943918427,0.943918427,0.943918427,1.574881347,2.590767018,3.326668942,2.349990146,1.177410854,0.399277246,0.399277246,0.399277246,0.101417887,0.939067375,1.615752944,0.939067375,0.101417887,0.399277246,0.399277246,0.399277246,1.177410854,2.349990146,3.501349681,2.723040753,1.780955151,1.207644823,1.207644823,1.207644823,0.53979603,0.519404378,1.402802769,0.519404378,0.53979603,1.207644823,1.207644823,1.207644823,1.780955151,2.723040753,3.343842169,2.371760752,1.182872841,0.428571429,0.428571429,0.428571429,0.086046467,0.897158556,1.629556455,0.897158556,0.086046467,0.428571429,0.428571429,0.428571429,1.182872841,2.371760752,0,0,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.707106781,1.414213562,0.707106781,0,0,0,0,0,0.902368927,0.707106781,0.707106781,0,0,0,0,0,2.28445705,0.98559856,0.40824829,0,0,0,0,0,0.761485683,0.49279928,0.40824829,0,0,0,0,0,4.625483411,8.663510561,8.176470588,8.28,5.395663473,69.08476527,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.11849,15.601,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,6,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,1,0,2,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.3875,0,0,0,0.290277778,0,0.809722222,0,0,0,0,0,0,0,0,1.888888889,3.361111111,0,0,1.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.3875,0,0,0,0.290277778,0,0.3875,0,0,0,0,0,0,0,0,1.888888889,3.361111111,0,0,1.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.3875,0,0,0,0.290277778,0,0.422222222,0,0,0,0,0,0,0,0,1.888888889,3.361111111,0,0,1.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,2.333333333,0.422222222,3.361111111,0.290277778,1.75,2.374833333,0.25,0.361111111,0.722222222,0.25,0.361111111,0.722222222,1.5,0.5,0,0,0.43333,0.7,0.40909,0.40909,0.7,0.02424,0.02424,0,0,0.71429,0,0,0.66667,0,0,2,0.66667,1,0.33333,1,0.33333,0,0,0,0,1.07735,0.35912,1.91421,0.83687,0.27896,0.78867,0.26289,1.41421,0.62554,0.20851,0,0,0,0,0,2,0,0,0,0,0,0,0.333333333,0.918295834,2.113283334,2.419381946,2.067168057,1.010526389,0,8.264662506,19.01955001,21.77443751,18.60451251,9.094737505,0,0.289690082,0.666666667,0.763230027,0.652118916,0.318785583,0,2.251629167,1.056641667,0.750543056,1.102756945,2.159398612,3.169925001,0.289690082,0.666666667,0.763230027,0.652118916,0.318785583,0,6.73287657,13.74460993,14.05310377,9.826537102,1.018433791,0,11.84962501,9.509775004,9.241437504,7.12815417,2.549373612,0,3,2,0,3,2,3,1.79,0.4883,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,1.164,1,0,0,0,0,0,0,0,0,6,1.386294361,1.098612289,0,0,0,0,0,0,0,0,2.197224577,1.333333333,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.5,0,1,2,1,0.5,0,0,0,0,0,0,0,0,0,0.25,0,0,0,0,0,0,0,0,0,0.25,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,0,57.80795388,2.584962501,1.945910149,2.197224577,2.564949357,2.833213344,3.218875825,3.496507561,3.891820298,4.17438727,4.574710979,33.89759936,1.609437912,0,2.197224577,0,2.833213344,0,3.496507561,0,4.17438727,4.852030264,42.04695019,4.671883355,4.914213562,1.638071187,0,0,0,4,0,1.786,6,1.1845,2.070132387,2.890330347,3.502395143,0,0,0,0,0,0,61.15747468,45.46168094,19.64918577,3.558657619,0,0,0,0,0,0,245.2909382,249.6055362,215.8939837,108.8675555,0,0,0,0,0,0,8.580641761,14.57564053,20.02006365,23.53071568,0,0,0,0,0,0,1.912487988,2.238256218,2.293052372,1.557210078,0,0,0,0,0,0,172.0468959,331.1486605,486.5628902,647.6546863,0,0,0,0,0,0,3.687,4.523347468,5.287544558,3.502395143,0,0,0,0,0,0,0.398525625,0.478506081,0.503311341,0.358645263,0,0,0,0,0,0,226.7952389,55.37710339,8.529758553,169.3509881,-41.35081153,-12.93039234,57.44425075,96.72791493,21.46015089,0.572503847,0.139789551,0.021531843,0.427496153,-0.104382697,-0.032640453,89.84407817,21.93743057,3.379031668,67.08775497,-16.38096797,-5.122326137,0.230795839,0.421391849,6.540371835,11.66194073,396.146227,0,1,0,144.813101,12.03383152,5.251329683,203.5722544,14.26787491,5.882647997,168.364956,12.97555224,5.521841042,1.282327471,1.042240934,60.71531802,52.48819034,11.59797617,1.156742452,5.234992477,4.525633572,2.231223091,2.129213644,4.102201959,0.926627687,1.918389996,1.069327523,2.05453721,2.946742023,0.754916282,2.521614999,0.70372229,2.68E-07,1.97E-35,2.80E-85,7.65E-157,4.04E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.161007887,1.069266338,0.127696141,1.006520372,0.011705592,0.090887906,0.004956374,1.89E-09,1.39E-37,1.97E-87,5.39E-159,2.84E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.519727041,1.06927059,0.441690559,1.241204276,0.071820273,0.372952161,0.051649235,1.97E-08,1.45E-36,2.05E-86,5.62E-158,2.96E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.810804323,1.069320863,1.908518388,2.770880389,0.677015784,2.297066506,0.627003891,2.39E-07,1.76E-35,2.49E-85,6.82E-157,3.60E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765976495,1.069275955,0.680788125,1.450217563,0.140282223,0.630150844,0.112189039,4.28E-08,3.15E-36,4.46E-86,1.22E-157,6.44E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.31673132,1.069355488,2.627038063,3.662691566,1.08013643,3.439015353,1.026312823,3.91E-07,2.88E-35,4.08E-85,1.12E-156,5.89E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.837173482,0.811369703,0.715739049,1.694255431,0.169174003,0.637875127,0.129255114,4.93E-08,3.62E-36,5.14E-86,1.41E-157,7.42E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.872864109,0.70390703,0.18581535,0.677938633,0.254799997,0.5910637,0.366710534,0.222222222,2.762586489,1.797125843,4.804676835,0.51690795,1.179996456,1.220759665,0.238536411,0.040058859,0.814189913,0.159092691,0.251123301,0.042076817,0.010328125,1.499354935,0.349653365,1.860673265,0.72128487,0.303528243,1.479741088,0.42337981,0.097948606,0.739475108,0.211576764,0.368967671,0.132603531,0.061747707,2.001069505,0.812900541,2.875334113,0.609212662,0.563318909,1.856718624,0.692386981,0.18220683,0.679789906,0.253499736,0.580916093,0.354799784,0.213674952,2.731312435,1.750032254,4.715583923,0.519684859,1.149390829,1.595185825,0.505766065,0.123752449,0.71703273,0.2273408,0.428784275,0.189259415,0.098567086,2.224704339,1.0667888,3.391335484,0.575549095,0.716610776,1.923411643,0.739972896,0.197112663,0.672404658,0.25868681,0.623401794,0.405271975,0.250065259,2.860497202,1.948259303,5.089301534,0.508606987,1.278739028,1.856809275,0.688648035,0.181169966,0.680991235,0.252564053,0.580967722,0.350920065,0.21125,2.726627276,1.739848473,4.698135622,0.521486852,1.143137787 +UMLMON0069,L,Propene,CC=C,8252,"""propylene""","Sandia, UML","[1], [9]",C3H6,PubChem,,84.9,0,0.8413,0.70778569,26.4798,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,894.311257,1293.838867,825.647975,187.78536,14.224896,0,0,0,2644.81273,3111.440287,4081.945104,3966.02192,2109.972419,435.172422,0,0,0,118.238936,113.725804,185.586916,240.085028,245.042496,94.058496,0,0,0,19.03383305,23.05160678,30.53489774,32.7070836,23.10000729,6.224580668,0,0,0,2668.599586,2223.807959,3945.978999,4982.385688,6122.904923,2588.847128,0,0,0,68.5625,47,75.75,110.5,63,14,0,0,0,61.71557788,59.62075047,51.75355468,26.63380565,5.365296,1.016064,0,0,0,165.3007956,207.4293525,163.2778042,127.936191,60.28492625,31.08374443,0,0,0,7.3899335,7.581720267,7.42347664,7.744678323,7.001214171,6.718464,0,0,0,1.189614566,1.536773785,1.22139591,1.055067213,0.660000208,0.444612905,0,0,0,166.7874742,148.2538639,157.8391599,160.722119,174.9401407,184.917652,0,0,0,4.28515625,3.133333333,3.03,3.564516129,1.8,1,0,0,0,0.228550231,-0.134451686,0.073595135,-0.068930896,-0.023787475,0.039299806,0,0,0,523.7576238,-61.37440864,201.7963501,-679.6049109,9.289468047,268.0146895,0,0,0,766.4429154,-64.08388028,122.9703434,-833.4956669,4.076510572,387.3112355,0,0,0,1.03666,-0.10552625,0.16054125,-0.77858625,0.02169775,0.1835435,0,0,0,3.391946473,-0.184652645,-0.212307257,-2.738137585,-0.012024649,1.451148898,0,0,0,18.82152525,-0.868064488,-2.446740944,-13.43592376,-0.109278225,7.449244794,0,0,0,25.49609375,-7.781494141,8.099853516,-15.23852539,-3.573486328,5.745605469,0,0,0,0.014284389,-0.008963446,0.002943805,-0.002223577,-6.80E-04,0.002807129,0,0,0,32.73485148,-4.091627243,8.071854006,-21.92273906,0.265413373,19.14390639,0,0,0,47.90268221,-4.272258686,4.918813737,-26.886957,0.116471731,27.66508825,0,0,0,0.06479125,-0.007035083,0.00642165,-0.025115685,6.20E-04,0.01311025,0,0,0,0.211996655,-0.012310176,-0.00849229,-0.088327019,-3.44E-04,0.103653493,0,0,0,1.176345328,-0.057870966,-0.097869638,-0.433416896,-0.003122235,0.532088914,0,0,0,1.593505859,-0.518766276,0.323994141,-0.491565335,-0.102099609,0.410400391,0,0,0,-0.627499392,0.206085489,-0.155664846,-0.047579363,0.196517256,0,0,0,-0.124992999,0.246582882,-0.669706385,0.008107975,0.584817267,0,0,0,-0.08918621,0.102683472,-0.561282913,0.002431424,0.577526914,0,0,0,-0.108580763,0.09911292,-0.387640082,0.009568201,0.202345996,0,0,0,-0.058067786,-0.040058605,-0.416643456,-0.001620598,0.488939285,0,0,0,-0.049195559,-0.08319805,-0.36844359,-0.002654182,0.452323736,0,0,0,-0.325550278,0.203321587,-0.308480406,-0.064072315,0.25754558,0,0,0,1.527355518,0.621723293,1.676918895,0.789746682,0.137211806,0,0,0,1.269889206,0.790120354,1.796541198,0.728739312,0,0,0,0,1.398696897,1.009761139,1.545472194,0.739025144,0,0,0,0,1.044581637,0.791272355,2.140086992,0.520193423,0,0,0,0,1.448950267,1.179052138,1.426775117,0.701697541,0,0,0,0,1.454759456,1.22433746,1.406672924,0.684666029,0,0,0,0,1.279607783,0.677309637,1.927477426,0.689181203,0,0,0,0,16.48744705,8.368723525,11.94143081,16.65411372,2.775685619,8.36932503,0.25,0.011249637,0.00187494,-2.692451632,19.0545036,3.1757506,1.76838209,16.49039955,8.369832564,11.94267409,16.6565766,2.7760961,8.370433279,0.249265579,0.011295676,0.001882613,-2.690001149,19.0555351,3.175922517,1.76841457,19.16926703,9.385136276,13.27114636,18.90327071,3.150545118,9.385334316,-0.398994478,0.099057449,0.016509575,-1.387233184,31.21483321,5.202472202,2.064536043,16.49349846,8.370996632,11.94397928,16.65916166,2.776526944,8.37159652,0.2484948,0.011344063,0.001890677,-2.687436465,19.05662359,3.176103932,1.768448842,22.09626239,10.50698406,15.69528377,21.37473288,3.56245548,10.50704735,-1.082294264,0.241165662,0.040194277,-0.853362711,30.88954807,5.148258012,2.058250726,16.79769261,8.485413396,12.07343803,16.9131154,2.818852566,8.485938179,0.173134186,0.01643844,0.00273974,-2.464879683,19.19620168,3.199366946,1.772827458,23.97815966,12.11907983,17.59848292,24.151493,4.025248833,12.11909352,0.26,0.057637868,0.009606311,-1.712145299,20.20863655,3.368106092,1.803666039,0,11.79,15.9949159,-0.385772874,0.130568913,4.980493651,7.652503064,5,15,14,14,4,1,1,0,0,1,10.93207,3.536921914,2.789647354,2.333552793,2.039648352,1.188740532,0.359704607,0.083923071,0.083923071,1.825164935,1.384524971,1.249629723,0.622994839,0.414256759,0.083923071,0.083923071,0.083923071,3.518157184,2.815027245,2.405454588,1.803300497,1.247492965,0.477243308,0.270913902,0.270913902,1.797222202,1.300353992,1.134540686,0.682707503,0.28248279,0.270913902,0.270913902,0.270913902,3.642168697,3.006522389,2.704236987,2.327479058,1.702968566,0.959239252,0.943918427,0.943918427,1.626198717,1.034752733,0.76031856,0.121389989,0.250299968,0.943918427,0.943918427,0.943918427,3.523263532,2.842538676,2.457539916,1.764340406,1.299269248,0.565144359,0.399277246,0.399277246,1.780475646,1.247015508,1.058262671,0.703298267,0.186418297,0.399277246,0.399277246,0.399277246,3.679115192,3.092247079,2.838982085,2.389665764,1.884200731,1.207644823,1.207644823,1.207644823,1.588663265,0.952606138,0.631337262,0.039321042,0.424372953,1.150954091,1.207644823,1.207644823,3.859871736,3.251678712,2.771189336,2.480846648,1.476568105,0.521933734,0.487804878,0.487804878,1.757466844,1.096165629,1.017432014,0.190788576,0.065618452,0.487804878,0.487804878,0.487804878,0,0,1,1,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,0.770480822,0.129099445,0,0,1.060660172,0.353553391,0,0.386698331,0.091287093,0,5.207106781,2.560660172,2.914213562,1.060660172,0,0,0,0,0.86785113,0.512132034,0.416316223,0.353553391,0,0,0,0,4.231670646,1.920530223,1.857787455,0.499535383,0,0,0,0,0.705278441,0.384106045,0.265398208,0.166511794,0,0,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,0.86949,26.2248,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,24,1,0,1,2,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0,2,0,0,2,0,0,0,0,0,0,0,0,2,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.597569444,0,8.708333333,4.875,0,0,0,0,0,0,0,0,0,0.597569444,0,0,0,0,0,0,0,0,0,0.437847222,0.415277778,0,0,0.709027778,0,0,0.853125,0,0,0,0,0,0,0,0,3.361111111,3.381944444,0,0,1.493055556,0,0,0,0,0,0,0,-0.694444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.708333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.597569444,0,8.708333333,1.493055556,0,0,0,0,0,0,0,0,0,0.597569444,0,0,0,0,0,0,0,0,0,0.437847222,0.415277778,0,0,0.354513889,0,0,0.415277778,0,0,0,0,0,0,0,0,1.680555556,3.381944444,0,0,1.493055556,0,0,0,0,0,0,0,-0.694444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.708333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.597569444,0,8.708333333,3.381944444,0,0,0,0,0,0,0,0,0,0.597569444,0,0,0,0,0,0,0,0,0,0.437847222,0.415277778,0,0,0.354513889,0,0,0.437847222,0,0,0,0,0,0,0,0,1.680555556,3.381944444,0,0,1.493055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.708333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.25,2.708333333,0.597569444,8.708333333,0.340277778,-0.694444444,2.775375,1.944444444,2.708333333,6.180555556,1.944444444,2.708333333,6.180555556,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.42,0.47593,0.75238,0.07792,0.02199,-0.05593,0.0754,0.57047,0.14382,0,0.64706,0,0.17647,3.75,0.625,2.75,0.45833,1,0.16667,-1.75,-0.29167,0,0,4.26405,0.71068,6.37132,2.10727,0.35121,1.78145,0.29691,2.56066,0.77921,0.12987,0.35334,0.05889,0.35334,0.05889,0,5.01,1,1,1,1,1,1,0.6,1.198192411,2.608458593,2.780639062,2.780639062,2.280639062,1.155639062,19.17107858,41.73533749,44.490225,44.490225,36.490225,18.490225,0.299548103,0.652114648,0.695159766,0.695159766,0.570159766,0.288909766,2.801807589,1.391541407,1.219360938,1.219360938,1.719360938,2.844360938,0.299548103,0.652114648,0.695159766,0.695159766,0.570159766,0.288909766,10.71860945,18.7418391,18.91536689,18.91536689,12.91536689,1.164681975,21.96987352,15.79229297,15.43383437,15.43383437,12.43383437,4.183834373,6,1.632653061,5.333333333,6,2,4,1.9,0.8288,1.144714243,1.889881575,0,2.381101578,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.459,0.458,0.41,0.311,2.6,7,3,0,0,0,0,0,0,0,21,1.945910149,2.197224577,1.945910149,0,0,0,0,0,0,0,3.295836866,1.238095238,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,3,0.5,3,0.666666667,0,0,0,0,0,0,0,0,0.6,0.095238095,0,0,0,0,0,0,0,0,0.695238095,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,20.23,101.1901498,3.584962501,3.218875825,3.80666249,4.634728988,5.252273428,6.084499413,6.708084084,7.5416831,8.166500319,9.000483165,65.41379081,2.397895273,0,3.663561646,0,5.081404365,0,6.532334292,0,7.989899375,8.256088134,86.07316494,5.379572809,10.46599026,1.74433171,2.301776695,2.301776695,0,28,3,0.752,24,1.213666667,2.13347701,2.941881878,3.444535819,4.246063323,0,0,0,0,0,83.58129439,123.8740659,82.05847493,19.69447963,4.314272084,0,0,0,0,0,275.8099435,377.5986728,386.0259901,216.989381,131.9835472,0,0,0,0,0,9.224577646,15.98057562,22.78511384,24.15319939,28.52702358,0,0,0,0,0,1.992968259,2.75849749,3.161539501,2.34896819,1.887854548,0,0,0,0,0,177.5531932,332.7104989,471.5074714,598.9822604,785.17206,0,0,0,0,0,3.847366667,6.948114342,10.5745465,6.3603048,4.246063323,0,0,0,0,0,0.43792144,0.637346,0.751247253,0.537139674,0.434796884,0,0,0,0,0,336.0664745,205.6756375,20.19574554,117.5550101,-71.94469985,-14.04561197,218.5114644,277.6203374,34.24135751,0.740852199,0.45340806,0.04452114,0.259147801,-0.158600733,-0.030963286,152.4469731,93.29888803,9.161224073,53.32547819,-32.63566156,-6.371391354,0.344666027,0.630319767,15.05119427,14.82735364,386.4290191,67.19246549,0.851875478,0.148124522,366.6561382,19.14826724,7.157362057,472.5073319,21.73723377,7.788781439,610.959245,24.71758979,8.485369272,1.261772097,1.108117876,181.91594,178.0250862,105.0414923,1.021855649,1.731848396,1.694807283,3.313636149,3.200382783,5.261876621,0.644139773,3.469429066,3.349174312,3.755993964,8.76651783,9.092569104,4.254151505,4.313745336,2.818345846,0.383025518,0.006350349,3.46E-24,3.76E-67,8.06E-132,3.41E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311080899,3.476037679,0.183154769,4.939135603,2.261322249,0.175853726,0.264262173,0.111197241,0.002697681,4.47E-05,2.44E-26,2.65E-69,5.68E-134,2.40E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.884731938,3.239814074,0.678258305,5.094417389,2.599705217,0.68002698,0.786609499,0.441539778,0.02811191,4.66E-04,2.54E-25,2.76E-68,5.92E-133,2.50E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.497816748,3.475708346,3.454422148,8.775624838,9.003862924,3.888394211,4.258980411,2.573993509,0.341268842,0.005658047,3.09E-24,3.35E-67,7.18E-132,3.04E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.237025736,3.150057735,1.087666401,5.385221129,3.07554692,1.123590088,1.159261523,0.734298479,0.061062821,0.001012387,5.52E-25,5.99E-68,1.29E-132,5.44E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.370465819,3.429414528,4.96665808,10.23210835,12.07697439,5.740463104,5.829783261,3.812342664,0.558606716,0.009261388,5.05E-24,5.48E-67,1.18E-131,4.98E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.502646623,2.506100512,1.264846713,7.692695208,7.918576523,1.49415608,2.686298364,1.106574842,0.091142305,0.001511088,8.24E-25,8.94E-68,1.92E-132,8.12E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.304407997,1.261028909,0.744305261,0.534697415,0.292599617,0.445497113,0.476833459,0.359523343,4.309742166,5.559698548,12.03233605,0.302046123,1.281853914,1.488666772,0.636279772,0.631889255,0.539991092,0.230800751,0.185540473,0.201600978,0.138114046,2.756835799,2.289939442,5.645306148,0.309986637,0.525255498,1.893352421,0.919920014,0.547933915,0.563295503,0.273687456,0.298457756,0.257590202,0.195359601,3.361206349,3.283220163,7.598780975,0.344943254,0.75140756,2.237899935,1.219142289,0.778210879,0.528398157,0.287855828,0.420293265,0.445151853,0.394521524,4.235253103,5.418626317,11.77708652,0.292597236,1.259966643,2.069409391,1.049564815,0.543530238,0.565025769,0.28657025,0.356850638,0.334405445,0.190701694,3.662504443,3.867236076,8.710276936,0.347538654,0.881957777,2.343287142,1.296590922,0.783182163,0.529788658,0.293143402,0.461426634,0.502819336,0.398504105,4.423060228,5.888972415,12.69156313,0.294682987,1.362750075,2.263937102,1.223384146,0.766858106,0.532167761,0.287572301,0.429796169,0.448739168,0.382544336,4.254179354,5.443945324,11.82206455,0.298251642,1.261079673 +UMLMON0070,L,2-Methyl-3-buten-2-ol,CC(C)(C=C)O,8257,Sandia Ron value was from the biocompoundML source for which I could not find the orginal source so I think we should use the co-optima database values which were measured by PNNL,Sandia,,C5H10O,PubChem,,95,0,0.561,0.314721,44.0696,25.601516,6,6,22,10,12,0,10,0,0,0,0,0,0,0,0,0,1454.833978,1732.190387,2314.332062,2109.623052,1243.022262,523.728914,84.835296,4.064256,0,4608.173951,6035.525316,8807.250395,8990.557479,6418.372324,3440.716553,1061.424631,124.3349777,0,156.026728,168.35726,303.264248,404.792112,352.830552,257.412296,123.32736,26.873856,0,33.22435486,44.04043172,67.54811506,73.54232287,56.36430997,33.18001696,12.01662072,1.778451619,0,3486.955385,3232.20849,6189.732738,8888.973485,7943.289696,6153.394655,3137.747111,739.6706081,0,42.55555556,53.19444444,85.83333333,101.9166667,85,56,23,4,0,66.12881718,75.31262552,55.10314433,37.01093074,24.86044524,14.15483551,4.713072,1.016064,0,209.4624523,262.4141442,209.696438,157.7290786,128.3674465,92.99233928,58.96803508,31.08374443,0,7.092124,7.31988087,7.220577333,7.101616,7.05661104,6.957089081,6.85152,6.718464,0,1.510197948,1.914801379,1.608288454,1.290216191,1.127286199,0.896757215,0.66759004,0.444612905,0,158.4979721,140.5308039,147.374589,155.9469032,158.8657939,166.3079637,174.3192839,184.917652,0,1.934343434,2.312801932,2.043650794,1.788011696,1.7,1.513513514,1.277777778,1,0,0.046659955,0.002027332,-0.013973144,-0.008576438,-0.017766071,-8.44E-05,0.008409237,0.006633513,0,660.3600491,36.01963904,-116.0632814,-93.05073419,-334.1822067,-43.02345774,120.0654635,100.0545529,0,1227.96771,66.98005689,-215.8246278,-173.0318136,-621.4260834,-80.00395684,223.2668563,186.0557136,0,0.12936,0.007056,-0.022736,-0.018228,-0.065464,-0.008428,0.02352,0.0196,0,5.489587008,0.299432019,-0.964836504,-0.773532715,-2.778063728,-0.357654911,0.998106729,0.831755607,0,29.81952376,1.626519478,-5.241007205,-4.201841984,-15.09048626,-1.942787154,5.421731592,4.51810966,0,3.444444444,0.75,0.055555556,-0.305555556,-2.111111111,-0.888888889,0.333333333,0.444444444,0,0.002120907,8.81E-05,-3.33E-04,-1.50E-04,-3.55E-04,-2.28E-06,4.67E-04,0.001658378,0,30.01636587,1.566071263,-2.763411461,-1.632469021,-6.683644133,-1.162796155,6.670303526,25.01363822,0,55.81671408,2.912176387,-5.138681613,-3.035645853,-12.42852167,-2.162269104,12.40371424,46.5139284,0,0.00588,3.07E-04,-5.41E-04,-3.20E-04,-0.00130928,-2.28E-04,0.001306667,0.0049,0,0.249526682,0.013018783,-0.022972298,-0.013570749,-0.055561275,-0.009666349,0.055450374,0.207938902,0,1.355432898,0.070718238,-0.124785886,-0.073716526,-0.301809725,-0.052507761,0.301207311,1.129527415,0,0.156565657,0.032608696,0.001322751,-0.005360624,-0.042222222,-0.024024024,0.018518519,0.111111111,0,0.04155999,-0.156863974,-0.070943151,-0.167532763,-0.001075612,0.220273614,0.781919372,0,0.052173913,-0.092063492,-0.054385965,-0.222666667,-0.038738739,0.222222222,0.833333333,0,0.052173913,-0.092063492,-0.054385965,-0.222666667,-0.038738739,0.222222222,0.833333333,0,0.052173913,-0.092063492,-0.054385965,-0.222666667,-0.038738739,0.222222222,0.833333333,0,0.052173913,-0.092063492,-0.054385965,-0.222666667,-0.038738739,0.222222222,0.833333333,0,0.052173913,-0.092063492,-0.054385965,-0.222666667,-0.038738739,0.222222222,0.833333333,0,0.208274895,0.008448541,-0.034238823,-0.269677419,-0.153443766,0.11827957,0.709677419,0,0.957956913,1.070764968,0.940200295,1.09920784,1.048056862,0.864859964,0.274367579,0,1.004347826,1.1,1.013157895,1.155,0.936486486,0.641666667,0,0,1.004347826,1.1,1.013157895,1.155,0.936486486,0.641666667,0,0,1.004347826,1.1,1.013157895,1.155,0.936486486,0.641666667,0,0,1.004347826,1.1,1.013157895,1.155,0.936486486,0.641666667,0,0,1.004347826,1.1,1.013157895,1.155,0.936486486,0.641666667,0,0,0.832047686,0.923387097,0.941850594,1.26,1.153443766,0.762096774,0,0,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,43.80845579,20.57579644,31.08689565,43.80409215,4.380409215,20.57579645,-0.168888889,0.396237976,0.039623798,-0.925740298,48.21065101,4.821065101,3.875579972,0,11.9,12.10017173,-0.136149425,0.064701075,6.9134375,8.936746114,11,23,20,17,5,3,0,0,0,6,13.118484,3.859257449,3.26603328,2.85748856,2.539816796,2.350475535,1.497315508,1.237267249,0.751328949,2.053489417,1.666412717,1.350290776,1.017671733,0.96709204,0.560658892,0.558549147,0.239945645,3.870555062,3.292828811,2.886123794,2.56564159,2.392125201,1.582151547,1.349619342,0.880447418,2.02070718,1.608211373,1.271973869,0.935409257,0.878464308,0.431838524,0.405755516,0.07238178,3.922762979,3.411592901,3.021737613,2.689753709,2.57664947,1.936158912,1.80215351,1.398225657,1.933750742,1.4354006,1.050516214,0.71673229,0.613469192,0.002051678,0.11598811,0.509133616,3.87900294,3.312633685,2.907765452,2.585208322,2.422938245,1.643877923,1.430332416,0.973259429,2.000738782,1.570956036,1.222656736,0.884900704,0.821618538,0.345688827,0.302643471,0.041356809,3.949942256,3.469681049,3.09278911,2.756903945,2.66634246,2.093887079,1.997147002,1.618269983,1.909106109,1.381402153,0.985972155,0.656595211,0.529849954,0.149920177,0.305761186,0.72446841,3.926253365,3.31720277,2.939257165,2.610550116,2.488349721,1.719552514,1.507173628,1.139579527,1.987536625,1.51610254,1.209776418,0.827598908,0.688123653,0.22732514,0.190703702,0.214836949,0,0,0,4,2,0,4,0,0,0,0,0,0.166666667,0.23570226,0,0,0,0.090277778,0.111452494,0.333333333,0,0.083333333,0,0.204124145,0,0.041666667,0,0.942809042,1.5,1.885618083,0.524377395,0.760310363,0.873962325,6.811554788,4.966326495,4.089073412,3.466326495,2.857589235,2.316496581,1.140119483,0.704124145,0.681155479,0.451484227,0.292076672,0.192573694,0.12989042,0.089096022,0.063339971,0.044007759,6.137828202,4.03445705,2.97581711,2.260616132,1.676176864,1.232084617,0.536873346,0.295028034,0.61378282,0.366768823,0.212558365,0.125589785,0.076189857,0.04738787,0.029826297,0.018439252,13.25096682,21.32702112,20.35294118,20.56,14.79132695,165.140309,0.602316674,0.969410051,0.92513369,0.934545455,0.672333043,7.506377681,2.5654,43.084,69.06175437,80.55467971,138.1235087,13.81235087,69.06175437,1.05E-15,1.05E-16,-34.48550877,35.25843786,3.525843786,3.562704872,90,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,4,0,0,4,0,0,0,0,0,0,0,0,0,0,4,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.95796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.576805556,0,1.290555556,0,0,1.576805556,0,0,0,0,0,0,0,0,0,0,5.37537037,0,0,8.80287037,0,0,0,0,3.155092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.577546296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.285972222,0,0,0.380972222,0,0,0,0,0,0,0,0,0,0,1.301759259,0,0,2.143009259,0,0,0,0,1.577546296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.258425926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.407430556,0,0.359305556,0,0,0.407430556,0,0,0,0,0,0,0,0,0,0,1.385925926,0,0,2.258425926,0,0,0,0,1.577546296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.33333333,1.733333333,0.407430556,2.258425926,0.116319444,1.301759259,5.854005278,0.198240741,0.258425926,1.605740741,0.198240741,0.258425926,1.605740741,5,0.5,0,0,0.48182,0.7,0.44286,0.44286,0.7,0.03896,0.03896,0,0,0.71429,0,0,0,0.2,0,11.5,1.15,5.5,0.55,6,0.6,0.5,0.05,0,0,6.41361,0.64136,10.92696,4.51335,0.45133,2.98601,0.2986,4.96631,1.9803,0.19803,-0.05231,-0.00523,0.11969,0.01197,0.454545455,31,0,0,0,0,0,0,0.4,0.994030211,2.368522528,2.913977073,3.095795255,3.095795255,3.095795255,21.86866465,52.10749561,64.10749561,68.10749561,68.10749561,68.10749561,0.222905136,0.531126549,0.653441363,0.694212967,0.694212967,0.694212967,3.465401407,2.090909091,1.545454545,1.363636364,1.363636364,1.363636364,0.211476005,0.503893821,0.619937122,0.658618223,0.658618223,0.658618223,6.685280239,17.6733325,20.22163251,20.40487343,20.40487343,20.40487343,36.74662124,28.08813825,24.23565963,23.70495723,23.70495723,23.70495723,6.694214876,2.93877551,1.382716049,0,6,0,2.56,1.1714,0,0,0,0,11.67863166,8.596559455,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.115,0.112,0.679,0.88,5.25,14,18,22,26,18,16,14,12,0,161,2.708050201,3.198673118,3.70745584,4.172462341,4.613262356,4.345427482,4.375363863,4.385925275,4.375363863,0,6.335608176,3.498835404,0.4,2,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,3,0,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,5,0.666666667,1,0.888888889,0.25,0.284444444,0,0,0,0,0,0,0.090909091,0.063492063,0.020833333,0.047407407,0,0,0,0,0,0,0.222641895,22.1589889,32.1589889,44.3179778,4.43179778,22.1589889,5.27E-16,5.27E-17,-35.17865595,5000017.121,500001.7121,15.42495189,0,137.9940115,4.321928095,3.931825633,4.744932128,5.572154032,6.401917197,7.23489842,8.068089626,8.902047346,9.735956081,10.57005972,86.16188019,3.135494216,0,4.369447852,0,5.84932478,0,7.43543802,0,9.066816362,9.288504393,132.0939004,6.004268199,20.65842448,2.065842448,0,0,0,109,12,3.454,50,1.26407814,2.2115582,2.997464741,3.875003081,4.888970194,5.725451817,6.536119692,0,0,0,105.8939133,131.4784064,119.0040356,105.8284698,70.42551243,26.77244013,6.641115919,0,0,0,356.6954994,488.3868363,497.1567436,527.8928496,461.2158995,336.0194561,203.1670741,0,0,0,9.287117082,16.01314024,21.34745465,27.42695893,34.04035647,39.22041676,43.91268485,0,0,0,2.556012155,3.698534641,4.020179734,4.56441283,4.43377781,3.809466681,2.906043163,0,0,0,175.5116945,322.901804,463.0072922,609.4683663,810.9240105,998.6644862,1208.643907,0,0,0,3.01512687,4.63160213,5.496206538,6.77952659,7.436249807,7.27995977,6.536119692,0,0,0,0.52444265,0.767144899,0.844623045,0.969697879,0.959600068,0.846263164,0.669298656,0,0,0,266.5928037,128.0462724,10.92006714,82.8671966,-39.8016581,-4.769739591,183.7256071,167.8479305,15.68980673,0.762870725,0.366411813,0.031248404,0.237129275,-0.113894746,-0.013648886,93.16352125,44.74705037,3.816126666,28.95877055,-13.90908745,-1.666833199,0.129161521,0.128011686,2.717308857,1.658627492,349.4600003,0,1,0,775.9487653,27.85585693,9.189199539,893.0424475,29.88381581,9.629950039,1352.238598,36.77279698,11.05820006,1.347212784,1.347212784,573.6590913,419.2773241,179.9054061,1.368209198,3.188670667,2.330543218,4.086753357,3.868376546,7.157029755,0.850137821,3.673442926,5.408424979,3.684304781,21.51468933,5.022378492,8.070012956,7.41531405,7.199506241,5.616695033,1.183624192,4.37596869,0.616000474,0.897873633,7.79E-06,1.38E-31,4.70E-79,3.09E-148,3.92E-239,0,0,0,0,0,0,0,0,0,0,0,0,0.308289329,5.40825611,0.298079602,7.584607809,1.098408806,1.153643338,1.267345778,0.387983358,1.611143039,0.037260529,0.258545722,0.004338547,0.006323797,5.49E-08,9.70E-34,3.31E-81,2.18E-150,2.76E-241,0,0,0,0,0,0,0,0,0,0,0,0,0.995188921,5.408267771,0.969533762,8.99320581,1.633869952,2.437850811,2.421203171,1.354411912,2.042720224,0.161183098,0.906241981,0.045210962,0.065898845,5.72E-07,1.01E-32,3.45E-80,2.27E-149,2.88E-240,0,0,0,0,0,0,0,0,0,0,0,0,3.467430634,5.408406571,3.470016812,20.15430489,4.688229104,7.601467363,7.003183204,6.632530761,5.234909361,1.074503849,4.055711771,0.548845335,0.799989242,6.94E-06,1.23E-31,4.19E-79,2.75E-148,3.50E-239,0,0,0,0,0,0,0,0,0,0,0,0,1.466723957,5.408282548,1.436329164,10.3861945,2.08028109,3.357297457,3.243301062,2.143713898,2.453608106,0.278935512,1.408098864,0.098204239,0.143141097,1.24E-06,2.20E-32,7.49E-80,4.93E-149,6.25E-240,0,0,0,0,0,0,0,0,0,0,0,0,4.436213716,5.408502294,4.485648403,27.12791642,6.366230076,9.85606857,8.981848041,9.469051054,7.185338979,1.631862036,5.63916194,0.898378782,1.30946431,1.14E-05,2.01E-31,6.85E-79,4.51E-148,5.72E-239,0,0,0,0,0,0,0,0,0,0,0,0,2.074023417,4.82940734,2.021028669,12.3526983,2.566591022,4.481939368,4.610322257,3.518479827,3.288863166,0.471984862,2.195407342,0.205029758,0.298848472,2.59E-06,4.58E-32,1.56E-79,1.03E-148,1.31E-239,0,0,0,0,0,0,0,0,0,0,0,0,4.085920218,2.144047536,0.378660461,0.618270553,0.324431556,0.509523243,0.539911457,0.230409761,6.608628214,11.11944964,21.04529767,0.427405829,1.279844461,3.146742035,1.265242337,0.096581299,0.697947477,0.280630788,0.302224421,0.188031645,0.014950717,4.508565671,4.407506431,9.300600042,0.546921215,0.505206783,3.465015226,1.563059066,0.192189321,0.6637625,0.299421482,0.366443771,0.286957272,0.059269515,5.220263613,6.382365647,12.64353113,0.49564375,0.712670558,4.05624501,2.11628055,0.369749393,0.620005279,0.323477776,0.502149496,0.526017961,0.219681055,6.542274954,10.86644,20.5827001,0.430007919,1.247848512,3.62760563,1.71519862,0.241023704,0.649662859,0.307172541,0.401636351,0.34553369,0.093259046,5.583827953,7.509806639,14.59329955,0.474494288,0.840429087,4.181597149,2.233571713,0.407390385,0.612907415,0.327380332,0.533663274,0.585938983,0.266743705,6.822559246,11.95337522,22.58091874,0.419361122,1.386345961,4.06741877,2.117864382,0.369975604,0.620481803,0.323078686,0.504919986,0.526803608,0.219971792,6.555258756,10.90264521,20.64496311,0.430722704,1.251695385 +UMLMON0071,L,"1,2,3,4-tetrahydronaphthalene",C1CCC2=CC=CC=C2C1,8404,,"Sandia, UML",[1],C10H12,PubChem,,81.9,0,-0.7702,0.59320804,20.2676,14.936344,0,0,14,6,8,0,5,0,1,0,0,0,0,0,0,0,985.417118,1010.341298,1303.426247,654.742122,76.700736,0,0,0,0,2582.645241,3338.206942,4683.164353,3142.304322,701.0594557,0,0,0,0,104.802008,104.67752,198.526316,252.45612,118.50624,0,0,0,0,18.14460724,24.19219448,36.21834058,27.96981576,7.474426802,0,0,0,0,2298.764282,2012.295491,4130.289809,5716.396351,2959.748931,0,0,0,0,68.77777778,35.41666667,61.41666667,85.66666667,40,0,0,0,0,70.386937,72.16723557,48.27504619,19.25712124,4.793796,0,0,0,0,184.4746601,238.443353,173.4505316,92.42071535,43.81621598,0,0,0,0,7.485857714,7.476965714,7.352826519,7.42518,7.40664,0,0,0,0,1.296043374,1.728013891,1.341420021,0.82264164,0.467151675,0,0,0,0,164.1974487,143.7353922,152.9736966,168.1293045,184.9843082,0,0,0,0,4.912698413,2.529761905,2.274691358,2.519607843,2.5,0,0,0,0,0.119095345,-0.040669366,-0.004816365,0.006081973,-0.020143915,0,0,0,0,480.0001234,2.70E-13,-80.13717518,-260.085762,100.2228755,0,0,0,0,703.208428,1.56E-13,-259.8424409,-450.2592987,358.4975257,0,0,0,0,1.006693714,2.95E-16,0.065816408,-0.287259592,-0.281903673,0,0,0,0,3.155024204,-1.50E-15,-1.476246983,-2.068416158,1.967151039,0,0,0,0,17.60532202,5.77E-15,-8.537594237,-11.45002073,11.18495395,0,0,0,0,32.07936508,0.876984127,1.049319728,-9.240362812,-8.725623583,0,0,0,0,0.00850681,-0.002904955,-1.78E-04,1.79E-04,-0.001258995,0,0,0,0,34.2857231,1.93E-14,-2.968043525,-7.649581236,6.263929719,0,0,0,0,50.22917343,1.12E-14,-9.623794109,-13.24292055,22.40609535,0,0,0,0,0.071906694,2.11E-17,0.002437645,-0.008448812,-0.01761898,0,0,0,0,0.225358872,-1.07E-16,-0.054675814,-0.060835769,0.12294694,0,0,0,0,1.257523002,4.12E-16,-0.316207194,-0.336765315,0.699059622,0,0,0,0,2.29138322,0.062641723,0.038863694,-0.271775377,-0.545351474,0,0,0,0,-0.341485769,-0.020969537,0.02102804,-0.147998445,0,0,0,0,5.63E-16,-0.086567914,-0.223112729,0.182697903,0,0,0,0,2.22E-16,-0.1915977,-0.26364998,0.446077326,0,0,0,0,2.93E-16,0.033900109,-0.117496871,-0.245025583,0,0,0,0,-4.75E-16,-0.242616649,-0.26995063,0.545560683,0,0,0,0,3.28E-16,-0.251452414,-0.267800521,0.555902056,0,0,0,0,0.027337952,0.0169608,-0.118607562,-0.23800099,0,0,0,0,0.968817907,0.693378388,1.042811493,1.453733881,0,0,0,0,0.952203536,0.987470333,1.14219339,0.760804766,0,0,0,0,1.211847767,1.256731018,1.088737224,0.19283301,0,0,0,0,0.467743913,0.485067762,1.241935077,1.82056019,0,0,0,0,1.295695716,1.343684446,1.071474411,0.009415622,0,0,0,0,1.299983779,1.348131326,1.070591575,3.55E-05,0,0,0,0,0.441427511,0.490296333,1.247187618,1.823602177,0,0,0,0,15.19518796,7.722593978,11.38889539,15.36185462,2.560309104,7.723982562,0.25,0.097222757,0.016203793,-1.398450281,28.21293259,4.702155431,2.003868285,15.19693001,7.723097794,11.38976614,15.36310706,2.560517844,7.724485417,0.249265579,0.097162003,0.016193667,-1.398825337,28.22674482,4.70445747,2.004161956,16.74127642,8.17114097,12.25106533,16.4752801,2.745880017,8.171931591,-0.398994478,0.036805407,0.006134234,-1.981266315,349.3110906,58.2185151,3.513577741,15.19875833,7.723626563,11.39068022,15.36442153,2.560736921,7.725013179,0.2484948,0.09709822,0.016183037,-1.399219341,28.24126868,4.706878113,2.004470602,18.37983666,8.648771196,13.38115538,17.65830715,2.943051191,8.649236386,-1.082294264,0.032564281,0.00542738,-2.054723559,33.18047235,5.530078725,2.101176912,15.37762057,7.775377376,11.48120403,15.49304336,2.582173893,7.776670015,0.173134186,0.090759727,0.015126621,-1.439723777,29.8139717,4.968995283,2.03698628,14.56339074,7.322768126,10.76772433,14.82074524,2.470124207,7.32529646,0.772063492,0.16235719,0.027059532,-1.090773896,19.60165013,3.266941689,1.785368252,0,11.9,15.99491589,-0.299186024,0.187717394,4.018497837,6.400697372,6,14,13,13,5,1,1,0,0,1,9.703656,3.660553052,2.721430928,2.459820995,1.567748549,1.19006016,0.083923071,0.083923071,0.083923071,1.724171079,1.637660892,0.757863935,0.628176547,0.184019975,0.083923071,0.083923071,0.083923071,3.635593714,2.613615742,2.510897621,1.461731566,1.30885592,0.270913902,0.270913902,0.270913902,1.655976007,1.637311729,0.62194973,0.556297773,0.260704611,0.270913902,0.270913902,0.270913902,3.761234391,2.850640096,2.734801489,1.917462401,1.778468089,0.943918427,0.943918427,0.943918427,1.452583651,1.449354072,0.172849073,0.128727721,0.267244541,0.943918427,0.943918427,0.943918427,3.639845897,2.597400255,2.548571849,1.450216432,1.39352899,0.399277246,0.399277246,0.399277246,1.639997615,1.612285733,0.54565259,0.531260614,0.223018367,0.399277246,0.399277246,0.399277246,3.796387309,2.882748301,2.841861735,2.010139246,1.978039144,1.207644823,1.207644823,1.207644823,1.423580518,1.38842831,0.055714193,0.016182923,0.414695574,1.207644823,1.207644823,1.207644823,5.212268516,3.454535089,2.615153931,2.223434717,1.560961402,0.652173913,0.652173913,0.652173913,1.548560608,1.383603685,0.366685159,0.175860764,0.582269606,0.652173913,0.652173913,0.652173913,0,0,0,1,0,0,4,0,0,0,0,0.144337567,0.144337567,0,0,0,0.125,0.051031036,0,0.288675135,0,0,0,0.102062073,0,0,0,0.40824829,0.433012702,0,0.144337567,0.153093109,0,4.405777394,2.89384685,2.389628766,1.64384685,1.129936127,0.288675135,0,0,0.734296232,0.482307808,0.341375538,0.234835264,0.161419447,0.144337567,0,0,3.736675415,2.411230926,1.745781916,1.161230926,0.769337567,0.102062073,0,0,0.622779236,0.401871821,0.249397417,0.165890132,0.109905367,0.051031036,0,0,7.88211032,13.8820102,13.25098039,13.44,8.674457485,107.0102359,0.56300788,0.991572157,0.946498599,0.96,0.619604106,7.643588281,1.1295,23.475,18.09925825,25.29161865,36.19851651,6.033086084,18.09925827,0.064833572,0.010805595,-1.641559038,30.97618464,5.16269744,2.059931203,29,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,2,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24305556,0.453703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.414583333,0.802777778,0,0,0,0,0,0,0,0,0,0,0,0,3.969907407,0,0,0,0,0,0,0.453703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24305556,0.453703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305902778,0.401388889,0,0,0,0,0,0,0,0,0,0,0,0,0.847222222,0,0,0,0,0,0,0.453703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24305556,0.453703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,0,0,1.137731481,0,0,0,0,0,0,0.453703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66666667,2.444444444,0.565972222,10.24305556,0.305902778,0.453703704,1.849523148,1.212962963,3.243055556,6.486111111,1.212962963,3.243055556,6.486111111,2.83333,0.47222,0,0.02778,0.52619,0.82778,0.43333,0.52619,0.82778,0.09286,0,-0.09286,0,0.57047,0.14382,0,0.11765,0.17647,0,4.75,0.79167,3.25,0.54167,1.5,0.25,-1.75,-0.29167,0,0,3.68665,0.61444,5.2306,1.54395,0.25733,2.20568,0.36761,2.89384,0.68816,0.11469,0.02016,0.00336,0.10616,0.01769,0.357142857,6.01,1,1,1,1,0,0,0.8,1.263809174,1.807354922,2.378783493,2.378783493,2.378783493,2.378783493,17.69332843,25.30296891,33.30296891,33.30296891,33.30296891,33.30296891,0.331938892,0.47470093,0.624786379,0.624786379,0.624786379,0.624786379,2.543545748,2,1.428571429,1.428571429,1.428571429,1.428571429,0.3234821,0.462606996,0.608868724,0.608868724,0.608868724,0.608868724,11.18095047,17.70349945,18.27939946,18.27939946,18.27939946,18.27939946,21.78168418,17.12333716,17.56366876,17.56366876,17.56366876,17.56366876,4.166666667,1.632653061,0.979591837,0,1,0,1.9,0.7202,0,0,0,0,4.242640687,2.828427125,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.405,0.403,0.748,0.387,3.245,7,7,7,2,0,0,0,0,0,35,2.079441542,2.302585093,2.302585093,2.302585093,1.609437912,0,0,0,0,0,3.80666249,1.257142857,0.333333333,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,3,0.5,1,0.444444444,0.222222222,0,0,0,0,0,0,0,0.166666667,0.063492063,0.111111111,0,0,0,0,0,0,0,0.341269841,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.07,88.83369113,3.584962501,3.295836866,4.007333185,4.762173935,5.493061443,6.251903883,6.989335266,7.747164967,8.487764381,9.243871855,68.27844578,2.564949357,0,3.713572067,2.397895273,5.017279837,4.442651256,6.385194399,6.224558429,7.788626066,8.245646901,84.05751488,6.004108205,11.57549817,1.929249695,2.461233746,2.461233746,0,26,2,0.351,26,1.4272484,2.522779342,3.327768695,4.101489997,0,0,0,0,0,0,126.9809917,143.700827,78.47407462,22.97038935,0,0,0,0,0,0,395.138052,478.9146831,332.4376811,190.8633599,0,0,0,0,0,0,10.76038175,18.81752593,25.1430202,30.98099088,0,0,0,0,0,0,2.759616845,3.576609806,2.827553324,1.935758245,0,0,0,0,0,0,200.5563045,380.9274749,556.2826925,758.7696696,0,0,0,0,0,0,3.821326232,6.47336511,9.480198073,11.5674827,0,0,0,0,0,0,0.58887794,0.800959231,0.707820619,0.547412184,0,0,0,0,0,0,261.432116,102.2453659,13.29286726,66.328053,-25.94071514,-17.93227771,195.104063,128.1860811,31.22514497,0.797632357,0.311951773,0.040556689,0.202367643,-0.079145417,-0.054711583,85.68703451,33.51195842,4.35687242,21.73969386,-8.502333179,-5.877486373,0.339148862,0.764952108,18.37712924,44.96417301,268.9797923,58.78037665,0.820660403,0.179339597,301.5123266,17.3641103,6.705559554,379.0086152,19.4681436,7.23685205,446.5289739,21.13123219,7.643340632,1.345243924,1.328393467,319.5642169,259.1459803,91.37012881,1.233143638,3.497469261,2.836222119,3.83103484,3.649051612,5.70136841,0.562424711,2.231204427,2.59584145,1.457328555,6.442929699,6.733181116,6.493124408,2.752908777,3.635368369,0.642182098,0.688699761,1.34E-04,2.00E-28,5.74E-74,3.18E-141,3.40E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.187249527,2.927702002,0.710107049,2.173112608,1.427648754,1.213860032,2.197370418,0.207752096,0.831333337,0.076988342,1.50E-05,2.23E-29,6.41E-75,3.56E-142,3.80E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.604464297,2.310483702,0.843091812,2.782963694,1.548956142,1.879577799,1.285296588,0.48185575,0.448718098,0.13336603,2.59E-05,3.87E-29,1.11E-74,6.16E-142,6.58E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.106074973,2.926485853,1.404671911,6.088950366,6.598251393,6.036280744,3.208038895,3.862213918,0.852902237,0.865032464,1.68E-04,2.51E-28,7.21E-74,3.99E-141,4.27E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.890869158,2.075938833,0.940183239,3.279314346,1.90425748,2.455813142,0.998437539,0.647486956,0.302706899,0.132057293,2.57E-05,3.83E-29,1.10E-74,6.10E-142,6.52E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.694502476,2.805304737,1.660140776,7.858678241,9.101284434,8.397828357,3.57365066,5.291825597,0.78158989,1.005852082,1.96E-04,2.92E-28,8.38E-74,4.64E-141,4.97E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.423499989,6.489314298,1.146535203,4.533177355,7.565356959,4.0042188,8.00900747,5.897903106,2.837564255,2.050476603,3.99E-04,5.94E-28,1.71E-73,9.47E-141,1.01E-229,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.182467206,1.696338692,0.623639576,0.484729292,0.376759408,0.347550487,0.454582805,0.430606078,4.502445473,6.121180429,12.93246656,0.29223305,1.23273937,3.416600334,0.906638423,0.186249723,0.757646981,0.201051278,0.788935374,0.118214996,0.036194463,4.50948848,3.90282316,8.989242719,0.636470472,0.943344834,2.365528735,1.262031239,0.355116284,0.593954563,0.316880197,0.381046149,0.230309103,0.136315678,3.982676258,4.273576778,9.316406949,0.390931844,0.74767093,2.427989673,1.640585374,0.602371682,0.519806757,0.351231874,0.410994226,0.405058371,0.396636504,4.670946729,6.434118739,13.50450725,0.306557947,1.212689102,1.999844572,1.429656419,0.436678981,0.51726629,0.369785274,0.27717051,0.30055252,0.210361917,3.866179971,4.356681626,9.471366379,0.330577346,0.788084947,2.23603648,1.742381778,0.658335764,0.482241773,0.375776194,0.369062813,0.486291067,0.479783417,4.636754022,6.51516424,13.71681363,0.28702695,1.335137296,2.499386578,1.632683256,0.601876789,0.52797101,0.344888396,0.433336142,0.399002082,0.394685747,4.733946623,6.56770354,13.75773276,0.309289108,1.227023971 +UMLMON0072,L,Cyclopentanone,C1CCC(=O)C1,8452,[11] has RON of 101; Sandia and co-optima database mon values from co-optima api report since source [1] from uml seems reliable I would go with these,"Sandia, UML","[1], [9]",C5H8O,PubChem,,89.4,0,1.1045,1.21992025,47.0813,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2016.744924,1941.144755,1412.516623,890.996068,343.143529,59.605056,3.048192,4670.34144,5841.481647,7938.731209,8337.567344,7102.446203,5162.672522,2672.989803,800.8676542,93.25123329,169.463656,175.052008,301.220976,383.016332,381.324796,355.509904,228.518884,102.373632,20.155392,34.11358067,43.47862034,62.19060946,68.52633425,61.82491149,48.10676025,27.05048403,9.344919193,1.333838715,3856.790689,3411.659229,6337.774435,8455.934033,8561.2468,8435.224566,5567.232656,2646.584363,554.7529561,48.80555556,58.88888889,86.16666667,101.8333333,100,84.33333333,50.5,19,3,60.70275442,67.17251842,48.01773629,35.94712509,26.15771524,17.47051114,10.39828876,3.9736704,1.016064,194.59756,243.3950686,189.0174097,154.3993953,131.5267815,101.228873,80.99969099,53.39117695,31.08374443,7.060985667,7.293833667,7.171928,7.092895037,7.061570296,6.970782431,6.924814667,6.8249088,6.718464,1.421399194,1.811609181,1.480728797,1.26900619,1.144905768,0.943269809,0.819711637,0.622994613,0.444612905,160.6996121,142.1524679,150.8993913,156.591371,158.5416074,165.3965601,168.7040199,176.4389575,184.917652,2.033564815,2.453703704,2.051587302,1.885802469,1.851851852,1.653594771,1.53030303,1.266666667,1,0.055581834,-0.00450474,-0.015137878,-0.002509593,-0.015954422,-0.001129692,-7.58E-04,0.007943012,0.00426043,706.2183858,-6.39E-14,-35.31091929,-55.48858746,-337.9759418,-58.01079598,-42.87754485,113.4993834,63.05521302,1313.243245,2.13E-13,-65.66216225,-103.1833978,-628.4806959,-107.8735523,-79.73262559,211.0569501,117.2538612,0.138343333,2.24E-15,-0.006917167,-0.010869833,-0.066207167,-0.011363917,-0.008399417,0.02223375,0.012352083,5.870808328,1.36E-14,-0.293540416,-0.461277797,-2.809601129,-0.48224497,-0.356441934,0.943522767,0.524179315,31.89032402,-1.08E-13,-1.594516201,-2.505668316,-15.26179792,-2.61956233,-1.936198244,5.125230645,2.847350359,4.795138889,-0.46875,0.233506944,0.665798611,-2.296006944,-0.668836806,-0.704427083,0.46484375,0.376302083,0.00231591,-1.88E-04,-3.60E-04,-4.65E-05,-2.95E-04,-2.22E-05,-2.30E-05,5.30E-04,0.001420143,29.42576608,-2.66E-15,-0.840736174,-1.027566434,-6.258813737,-1.137466588,-1.299319541,7.566625563,21.01840434,54.71846854,8.88E-15,-1.563384816,-1.910803663,-11.6385314,-2.115167692,-2.416140169,14.07046334,39.08462039,0.005764306,9.32E-17,-1.65E-04,-2.01E-04,-0.001226059,-2.23E-04,-2.55E-04,0.00148225,0.004117361,0.244617014,5.67E-16,-0.006989058,-0.008542181,-0.052029651,-0.009455784,-0.010801271,0.062901518,0.174726438,1.328763501,-4.50E-15,-0.037964671,-0.046401265,-0.282625887,-0.051363967,-0.058672674,0.341682043,0.949116786,0.199797454,-0.01953125,0.005559689,0.012329604,-0.042518647,-0.013114447,-0.021346275,0.030989583,0.125434028,-0.081046983,-0.155630267,-0.020067249,-0.127575028,-0.009564636,-0.009918669,0.228650587,0.613211824,-9.06E-17,-0.028571429,-0.034920635,-0.212698413,-0.038655462,-0.044155844,0.257142857,0.714285714,1.62E-16,-0.028571429,-0.034920635,-0.212698413,-0.038655462,-0.044155844,0.257142857,0.714285714,1.62E-14,-0.028571429,-0.034920635,-0.212698413,-0.038655462,-0.044155844,0.257142857,0.714285714,2.32E-15,-0.028571429,-0.034920635,-0.212698413,-0.038655462,-0.044155844,0.257142857,0.714285714,-3.38E-15,-0.028571429,-0.034920635,-0.212698413,-0.038655462,-0.044155844,0.257142857,0.714285714,-0.09775525,0.027826627,0.061710516,-0.212808754,-0.06563871,-0.106839576,0.155104996,0.627805938,1.173200921,1.049672908,0.945006845,1.097084388,0.938267977,1.019858679,0.736288102,0.310888129,1.15,1.079591837,1.022222222,1.168253968,0.927731092,0.896103896,0.525714286,0,1.15,1.079591837,1.022222222,1.168253968,0.927731092,0.896103896,0.525714286,0,1.15,1.079591837,1.022222222,1.168253968,0.927731092,0.896103896,0.525714286,0,1.15,1.079591837,1.022222222,1.168253968,0.927731092,0.896103896,0.525714286,0,1.15,1.079591837,1.022222222,1.168253968,0.927731092,0.896103896,0.525714286,0,1.265749457,0.904106755,0.845066645,1.218869847,1.028013233,1.035613192,0.639536568,0,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,53.47018582,26.36974711,40.8158777,53.38785249,5.338785249,26.36974711,-0.205833333,0.40961866,0.040961866,-0.89252865,40.7712947,4.07712947,3.707978272,0,11.85,12.1501118,-0.209912607,0.090223817,5.601666108,9.072760389,10,24,21,18,4,3,0,0,0,6,15.304898,3.800553388,3.300106495,2.740218449,2.619181914,2.444398039,1.804739059,1.163709156,0.941428501,2.001824673,1.732960006,1.42816176,1.082250302,1.013929276,0.832448724,0.433950696,0.310513972,3.812484671,3.328394347,2.785434122,2.645815032,2.484334788,1.888110927,1.267709641,1.053336623,1.968123094,1.669338321,1.331598489,1.007167592,0.927631179,0.71011407,0.283171921,0.150156259,3.867115504,3.45536442,2.992419406,2.771820215,2.652140743,2.231870042,1.695660318,1.517793787,1.878521577,1.481081079,1.034252875,0.798620231,0.68494011,0.295587422,0.225606429,0.396843083,3.821379157,3.349394459,2.819379244,2.665925019,2.513196408,1.948416887,1.343018712,1.134811365,1.947607648,1.628606968,1.26876728,0.960278991,0.873919006,0.627461673,0.181813002,0.041902902,3.89528271,3.518232671,3.094272604,2.838078588,2.732168434,2.384378828,1.883760183,1.721464227,1.852898206,1.422866863,0.939332824,0.738564276,0.610366649,0.148591038,0.407574243,0.594311107,3.847762949,3.320838122,2.870322016,2.756996632,2.577474451,1.985955602,1.374562599,1.255336616,1.947732517,1.609247132,1.193106268,0.858459866,0.802501385,0.557014447,0.113589126,0.089369861,0,0,0,5,1,2,1,1,0,0,0,0,0.102062073,0.058925565,0,0,0,0.032075015,0.018518519,0.402368927,0,0.11785113,0,0.30034919,0,0.068041382,0,1.089255651,1.339255651,1.373773448,0.715203943,0.725729982,0.623411431,7.397341225,4.842535255,3.783622271,3.098518319,2.036535719,1.41711029,0.569035594,0.319035594,0.739734123,0.484253526,0.315301856,0.221322737,0.145466837,0.101222164,0.071129449,0.053172599,6.671208396,3.892064078,2.719979463,1.980980521,1.017274032,0.582361414,0.225115408,0.108587098,0.66712084,0.389206408,0.226664955,0.141498609,0.072662431,0.041597244,0.028139426,0.01809785,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,3.2001,45.148,41.88157561,60.63834098,83.76315123,8.376315123,41.88157561,0.23147766,0.023147766,-1.463271913,38.30092131,3.830092131,3.645473951,90,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,4,0,0,5,0,0,0,0,0,0,0,0,2,0,1,0,0,5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.08518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.997814626,0,1.18586593,0,0,1.997814626,0,0,0,0,0,0,0,0,4.479166667,0,1.226203704,0,0,10.63611111,0.709444444,0,0,0,1.449074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.449074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.25461593,0,0,0.380972222,0,0,0,0,0,0,0,0,2.219907407,0,1.226203704,0,0,2.061388889,0.709444444,0,0,0,1.449074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.188657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.42100907,0,0.359305556,0,0,0.42100907,0,0,0,0,0,0,0,0,2.259259259,0,1.226203704,0,0,2.188657407,0.709444444,0,0,0,1.449074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.5,1.85,0.42100907,2.259259259,0.116319444,0.709444444,6.297556111,0.623888889,0.259259259,2.230555556,0.623888889,0.259259259,2.230555556,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.80028,0.68003,11.56742,4.76714,0.47671,2.88621,0.28862,4.84252,1.95631,0.19563,0.07148,0.00715,0.15748,0.01575,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.345437252,3.090199877,3.740601563,3.938721876,3.855388542,23.51685016,56.29049406,74.16479704,89.77443751,94.52932501,92.52932501,0.213713581,0.511549931,0.673985856,0.815841255,0.859052146,0.840876788,3.605093744,2.239525248,1.494762624,0.844360938,0.646240625,0.729573959,0.206076118,0.493268716,0.649899682,0.786685607,0.828352274,0.810826448,6.772325919,17.12993833,21.02005558,23.85331982,24.05299043,23.05299043,37.92632204,28.30072848,22.21202699,17.51591511,16.96403542,18.25651667,8.1,4,2.285714286,4,6,4,2.56,1.28,0.333333333,3.422158352,2.149139864,0,6.945629182,6.085553735,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.151,0.144,0.514,0.649,4.689,12,14,14,14,8,6,2,0,0,90,2.63905733,3.068052935,3.518980417,3.914519886,4.313312742,3.765551102,3.725693427,2.784239339,0,0,5.696883733,3.299305556,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,0,3,6,1,1.5,1.111111111,0.4375,0.191111111,0.152777778,0.04,0,0,0,0,0.15,0.092592593,0.039772727,0.027301587,0.038194444,0.04,0,0,0,0,0.387861352,24.96027687,37.10029833,49.92055373,4.992055373,24.96027687,0.054700231,0.005470023,-2.905887347,107.3580669,10.73580669,4.676169667,0,150.3504702,4.321928095,3.80666249,4.574710979,5.361292166,6.150602768,6.944087208,7.737616283,8.532475815,9.326967184,10.12202049,82.55643538,3.044522438,0,4.234106505,0,5.65248918,0,7.158513997,0,8.703008637,8.947285869,134.1095504,5.587897935,19.52724104,1.952724104,0,0,0,121,11,4.011,44,1.236512656,2.164930193,2.965069029,3.722678127,4.377382855,5.526216698,6.674735984,7.865256659,0,0,92.91185031,113.623177,113.7825863,109.9191829,89.83009648,62.79788839,27.37127644,7.991604142,0,0,323.9803594,435.048515,479.9816946,521.5386142,490.6483874,470.167588,362.7685305,244.4816279,0,0,9.050443239,15.5781293,21.08772308,26.3444751,30.65935821,38.34859606,45.58498675,52.84244372,0,0,2.364973853,3.357973835,3.902985892,4.444923356,4.447755108,4.689780193,4.20947443,3.496994611,0,0,173.8105839,323.0953877,460.1231939,586.3675213,712.9773203,926.0664688,1175.252245,1454.424794,0,0,3.114146793,4.578796416,5.731753281,7.060622534,7.637206833,8.676222211,8.531130624,7.865256659,0,0,0.486961494,0.699231276,0.820900107,0.942370207,0.953502675,1.020891038,0.938932867,0.805402282,0,0,278.7156861,149.7492451,10.98142046,79.87957471,-42.91795046,-4.776660073,198.8361114,192.6671956,15.75808053,0.777243083,0.417599621,0.03062344,0.222756917,-0.119683541,-0.013320477,99.94612417,53.69936961,3.937885333,28.64443693,-15.39017364,-1.712887665,0.115465203,0.12048862,1.438085983,0.954879563,358.5952608,0,1,0,726.8842238,26.96079049,8.991284665,863.5642905,29.38646441,9.522805011,1267.367914,35.60011115,10.82183487,2.065462657,2.065462657,710.0231553,603.0350707,163.6959785,1.177416024,4.337450202,3.683872237,4.395404959,4.443439901,7.963231373,0.792132121,4.313020202,4.901461064,4.567414572,16.895635,5.163184263,8.070454164,5.380535607,8.837713579,5.556137655,4.514281356,4.865549702,3.022609564,1.732812076,1.271591476,1.718141754,4.99E-13,2.93E-47,3.44E-103,8.03E-181,3.70E-280,0,0,0,0,0,0,0,0,0,0,0.362071417,4.719493148,0.355661999,6.191825066,1.545866239,1.405964561,1.139685742,1.6100042,0.870635021,0.313646507,1.18595271,0.32815992,0.082699843,0.068488127,0.012101013,3.52E-15,2.06E-49,2.42E-105,5.65E-183,2.61E-282,0,0,0,0,0,0,0,0,0,0,1.168544138,4.731653019,1.165698124,7.381465906,1.888466846,2.336716091,1.923670042,2.757506624,1.337557848,1.014438501,1.921144012,0.671880515,0.308295191,0.246277366,0.126101884,3.67E-14,2.15E-48,2.52E-104,5.89E-182,2.72E-281,0,0,0,0,0,0,0,0,0,0,4.071145892,4.881482728,4.29200166,15.88827427,4.801723934,7.510476081,5.092023951,8.279264004,5.096129847,4.201704934,4.634665033,2.784684372,1.592444698,1.173956564,1.53083337,4.45E-13,2.61E-47,3.06E-103,7.15E-181,3.30E-280,0,0,0,0,0,0,0,0,0,0,1.722162424,4.747418556,1.736511283,8.49362291,2.241164061,3.103208795,2.486098291,3.642569731,1.803424895,1.542022011,2.430548721,0.969080954,0.496185143,0.3884523,0.273910142,7.96E-14,4.66E-48,5.48E-104,1.28E-181,5.91E-281,0,0,0,0,0,0,0,0,0,0,5.208571964,4.985467182,5.607096806,21.02520011,6.660480817,10.31636602,6.481566678,11.0370812,7.455955018,5.734532505,5.726795498,3.986394724,2.297206777,1.660319128,2.505748275,7.28E-13,4.27E-47,5.01E-103,1.17E-180,5.40E-280,0,0,0,0,0,0,0,0,0,0,2.384636231,3.782398704,2.369421375,9.037798896,2.648092105,4.08826445,3.381710932,4.58325567,2.377842649,2.193597684,3.185136179,1.44595673,0.774219805,0.597792222,0.502013661,1.46E-13,8.55E-48,1.00E-103,2.35E-181,1.08E-280,0,0,0,0,0,0,0,0,0,0,5.384201833,1.756302876,0.509811045,0.703788184,0.2295726,0.523560275,0.518297971,0.320056083,7.650315754,13.09659733,25.56783374,0.555682276,1.361914329,4.477368459,1.01061179,0.211747492,0.78554076,0.177308783,0.362571404,0.172748268,0.055819327,5.699727741,5.686947405,12.34480742,0.678311139,0.591139,4.799340808,1.275520723,0.317674203,0.750772621,0.199532826,0.416355674,0.274505767,0.125025191,6.392535734,8.051485451,16.38871422,0.626158932,0.815886632,5.357464391,1.73433548,0.501033826,0.705594855,0.22841742,0.518391753,0.505507237,0.30919977,7.592833697,12.8448722,25.09313212,0.558392282,1.33309876,4.957820471,1.405852638,0.369769159,0.736298059,0.208786618,0.444193525,0.333087679,0.169068414,6.733442268,9.323055039,18.6337754,0.604447088,0.946349619,5.469619519,1.826474168,0.537847795,0.698195095,0.233148814,0.540243903,0.560210276,0.355980273,7.833941481,13.91430666,27.12141148,0.547292643,1.456434452,5.370334282,1.736748875,0.500394414,0.705928375,0.228294971,0.52091244,0.507022724,0.308262593,7.60747757,12.88326673,25.15788398,0.558892563,1.336197757 +UMLMON0073,L,sec-butylbenzene,CCC(C)C1=CC=CC=C1,8680,,"Sandia, UML","[1], [14]",C10H14,PubChem,,95.7,0,-0.552,0.304704,24.6224,17.603516,0,0,18,6,12,0,5,0,1,0,0,0,0,0,0,0,989.481374,918.525433,1003.316377,934.258844,450.512373,80.809344,3.048192,0,0,2706.980219,3340.91352,4245.280188,4180.758316,2826.048557,982.4523969,93.25123329,0,0,131.675864,127.961068,226.768108,280.631936,284.28822,169.900416,20.155392,0,0,19.92305886,25.2786954,34.93808817,36.61778345,27.38151406,11.61010636,1.333838715,0,0,3038.434891,2530.053054,4960.191286,6428.552833,6768.210873,4407.028418,554.7529561,0,0,62.27777778,44,63.25,79.33333333,86,40,3,0,0,54.97118744,54.03090782,32.36504442,23.95535497,11.55159931,3.367056,1.016064,0,0,150.3877899,196.5243247,136.9445222,107.1989312,72.4627835,40.93551654,31.08374443,0,0,7.315325778,7.527121647,7.315100258,7.195690667,7.289441538,7.079184,6.718464,0,0,1.106836603,1.486982082,1.127035102,0.938917524,0.702090104,0.483754432,0.444612905,0,0,168.8019384,148.8266503,160.0061705,164.834688,173.5438685,183.6261841,184.917652,0,0,3.459876543,2.588235294,2.040322581,2.034188034,2.205128205,1.666666667,1,0,0,0.225457497,-0.103409787,-0.034193375,0.045593812,-0.032759205,-0.002442912,0.014482718,0,0,557.7912351,-66.11605249,-126.6202505,-82.79789952,-194.0616483,145.3220847,45.37814848,0,0,815.6252945,-79.2452518,-166.6805924,-305.0017385,-248.7965671,326.3349971,65.57650547,0,0,1.059967111,-0.095141383,-0.136576247,0.062409481,-0.300422963,-0.091328593,0.031076148,0,0,3.576219349,-0.265723223,-0.593319447,-1.81533496,-0.921828003,1.56239879,0.245697168,0,0,19.7674611,-1.32649563,-3.008159357,-10.62450125,-4.797903742,8.612081632,1.261247796,0,0,23.75308642,-3.492112483,-3.531550069,2.852880658,-6.085390947,-2.263374486,0.643004115,0,0,0.012525417,-0.006082929,-0.001103012,0.001169072,-8.40E-04,-1.02E-04,0.004827573,0,0,30.98840195,-3.889179558,-4.084524209,-2.123023065,-4.9759397,6.055086864,15.12604949,0,0,45.31251636,-4.6614854,-5.376793304,-7.820557398,-6.379399157,13.59729155,21.85883516,0,0,0.058887062,-0.005596552,-0.004405685,0.001600243,-0.007703153,-0.003805358,0.010358716,0,0,0.198678853,-0.015630778,-0.019139337,-0.04654705,-0.023636615,0.06509995,0.081899056,0,0,1.098192283,-0.078029155,-0.097037399,-0.272423109,-0.123023173,0.358836735,0.420415932,0,0,1.319615912,-0.205418381,-0.11392097,0.073150786,-0.156035665,-0.09430727,0.214334705,0,0,-0.485646814,-0.088061909,0.093335985,-0.067062011,-0.008126516,0.385422138,0,0,-0.12550436,-0.131808159,-0.068510247,-0.16057426,0.195398487,0.488119701,0,0,-0.102874123,-0.118660223,-0.172591549,-0.140786689,0.30007805,0.482401705,0,0,-0.095038736,-0.074815847,0.027174783,-0.130812315,-0.064621292,0.175908183,0,0,-0.078673586,-0.096333036,-0.234282862,-0.118968955,0.327664211,0.412218285,0,0,-0.071052361,-0.088361028,-0.248065037,-0.112023345,0.326752191,0.382825429,0,0,-0.155665281,-0.086328885,0.055433392,-0.118243243,-0.071465696,0.162422037,0,0,1.392431884,0.814188952,0.606755894,1.208326111,1.22322347,1.314412987,0,0,1.409452341,1.180958298,0.999029065,1.060226075,0.504943854,0,0,0,1.590373361,1.278605214,1.183707409,0.902749303,0.206461644,0,0,0,1.043987109,0.894935497,0.663607818,1.39244601,1.138463311,0,0,0,1.655711089,1.29519174,1.258320093,0.848847484,0.105101334,0,0,0,1.661705788,1.290419824,1.267833872,0.844902563,0.09796942,0,0,0,1.117983368,0.900392328,0.637194147,1.385514953,1.133186071,0,0,0,20.42144412,10.33572206,15.33447173,20.58811079,3.431351798,10.33580441,0.25,0.05377834,0.008963057,-1.753730694,40.79701439,6.799502398,2.225165341,20.42455101,10.33690829,15.33626064,20.59072806,3.43178801,10.33699053,0.249265579,0.053629002,0.008938167,-1.755399164,40.87913894,6.813189824,2.22637193,23.2019196,11.40146256,17.16348679,22.93592328,3.82265388,11.40148825,-0.398994478,0.091194792,0.015199132,-1.436854491,31.15610434,5.192684057,2.063406115,20.42781182,10.33815331,15.33813873,20.59347502,3.432245837,10.33823543,0.2484948,0.053472209,0.008912035,-1.757155933,40.96582575,6.827637625,2.227642921,26.18332907,12.55051741,19.59850408,25.46179957,4.243633261,12.55052528,-1.082294264,0.221825479,0.036970913,-0.903518602,22.86600661,3.811001101,1.877790828,20.7471864,10.46016029,15.52488159,20.86260919,3.477101532,10.46023167,0.173134186,0.037843982,0.00630733,-1.964569982,52.93489933,8.822483221,2.381437706,22.72545624,11.65439479,17.76876849,23.11434513,3.852390855,11.6544192,0.583333333,0.087958075,0.014659679,-1.458536997,29.48917229,4.914862049,2.030413893,0,11.99640057,15.99794223,-0.421324353,0.07210154,4.103494365,7.248503548,5,17,17,17,5,0,0,0,0,0,13.118484,3.471723689,2.834632539,2.5294604,1.82378712,1.424303836,0.921632112,0.083923071,0.083923071,1.866258151,1.467845174,1.209118027,0.847546296,0.438418931,0.34078572,0.083923071,0.083923071,3.478726552,2.832870999,2.490222729,1.866841115,1.331912292,1.027718587,0.270913902,0.270913902,1.816339236,1.388860976,1.162910992,0.730056194,0.396858421,0.192983939,0.270913902,0.270913902,3.617665031,3.074522638,2.814120617,2.243694996,1.88118357,1.548432746,0.943918427,0.943918427,1.624716425,1.083895585,0.778128918,0.28274838,0.202829277,0.381213777,0.943918427,0.943918427,3.494438301,2.860289454,2.505450713,1.919599497,1.339431966,1.103526305,0.399277246,0.399277246,1.785523447,1.342435559,1.128672282,0.652583071,0.351223883,0.086395,0.399277246,0.399277246,3.672344468,3.162049086,2.905770795,2.391676936,2.018877764,1.756960954,1.207644823,1.207644823,1.571462813,0.993498047,0.682740047,0.135392335,0.347202254,0.583465996,1.207644823,1.207644823,4.284953577,3.406284876,2.936877555,2.257240966,1.906659395,1.261551996,0.6,0.6,1.731582625,1.157449701,0.830182617,0.473801012,0.028700672,0.310746918,0.6,0.6,0,0,0,0,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.577350269,0.288675135,0,0.417774579,0.129099445,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.438777427,2.417181397,1.695994192,1.008597056,0.129099445,0,0,0,0.739796238,0.483436279,0.339198838,0.252149264,0.129099445,0,0,0,8.965765927,17.6576839,16.70196078,16.96,10.27156647,139.5813569,0.498098107,0.980982439,0.92788671,0.942222222,0.570642582,7.754519827,1.0248,26.5408,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,29,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.673888889,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0.673888889,0,0,0,0,0,0,0,0,0,0,0,0,0,1.526111111,0,0,0,0,0,0,0,0,0,0,0,4.098101852,0,1.409722222,0,0,0,0.490740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.673888889,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0.673888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,2.027777778,0,0.329861111,0,0,0,0.490740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.673888889,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0.673888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.070324074,0,1.079861111,0,0,0,0.490740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,2.388888889,0.673888889,8.334768519,0.24,0.329861111,2.658430926,1.170138889,2.334768519,4.865740741,1.170138889,2.334768519,4.865740741,2.83333,0.47222,0,0.02778,0.47593,0.82778,0.42,0.47593,0.75238,0.05593,0,-0.05593,0.0754,0.57047,0.14382,0,0.47059,0.17647,0,2.75,0.45833,2.75,0.45833,0,0,-2.75,-0.45833,0,0,4.94416,0.82403,5.73058,0.78641,0.13107,2.47948,0.41325,2.80805,0.32857,0.05476,0.10595,0.01766,0.10595,0.01766,0,5.01,1,1,1,1,1,1,1,1.134969975,1.94471679,3.086048612,3.419381946,3.187719446,2.261069445,20.42945954,35.00490222,55.54887502,61.54887502,57.37895002,40.69925001,0.272179949,0.46636733,0.74007293,0.820010419,0.764454863,0.542232641,3.034955027,2.225208211,1.083876389,0.750543056,0.982205556,1.908855556,0.27767102,0.475776017,0.755003466,0.836553647,0.77987729,0.553171866,10.25843817,16.9429018,19.31451736,19.65045903,16.87050903,8.297183763,21.93297423,15.25754858,13.84528056,13.26031806,11.87034306,7.468755558,6,3.2,3,6,0,4,1.9,0.8718,0.333333333,2.149139864,1.414213562,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,2.891,5,4,1,0,0,0,0,0,0,21,1.791759469,1.791759469,1.609437912,0.693147181,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,20.23,103.8266085,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,88.088815,4.893823056,10.6758508,1.779308466,2.363633046,2.363633046,0,31,4,1.148,20,1.216411765,2.109021302,2.856594138,3.436359309,4.006630398,4.960986366,0,0,0,0,77.15821427,76.95587386,76.27426937,47.31327196,16.08853946,5.040679651,0,0,0,0,263.9099389,311.6444121,323.2859168,263.6819024,173.9600493,154.2060323,0,0,0,0,9.180431628,15.49152274,20.63503194,25.21071558,28.79523554,33.3302083,0,0,0,0,1.941447524,2.511694225,2.772975027,2.481428848,1.969230812,2.205718559,0,0,0,0,178.6200885,333.7215899,468.1611717,593.5189241,734.9451584,917.3739505,0,0,0,0,3.206490196,4.434420925,6.017551921,8.029406999,7.468677151,4.960986366,0,0,0,0,0.425350094,0.558441024,0.635819942,0.609652265,0.503746827,0.508005004,0,0,0,0,331.4687864,196.6101078,15.02025734,154.5529168,-91.67278151,-20.67483587,176.9158696,288.2828893,35.69509321,0.682004084,0.404529482,0.030904499,0.317995916,-0.188618699,-0.042538915,161.1010241,95.55677945,7.300171053,75.11607185,-44.5549614,-10.04841894,0.353598743,0.666672116,9.738798943,23.03009678,423.9348903,62.08681292,0.872255061,0.127744939,346.0061755,18.60124124,7.020390718,470.5945044,21.69319028,7.778256915,546.6933284,23.38147404,8.176760136,1.520310739,1.191875336,292.5927814,251.4462291,70.78830304,1.163639568,4.13334928,3.552087255,3.516450868,3.220194404,5.518792456,0.713807231,3.782243497,4.176847,3.713842936,16.51783602,3.82524224,5.438922403,4.90382512,4.42848023,1.55293459,2.036328689,1.76E-10,3.08E-42,1.04E-95,6.80E-171,8.56E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337322539,4.3037216,0.321879012,4.596564695,0.574521621,0.197835109,0.439729822,0.194191792,0.137913826,0.216562637,1.96E-11,3.44E-43,1.16E-96,7.60E-172,9.57E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.969469194,4.067497395,0.791484781,5.810206695,0.777549611,0.761833824,0.99928795,0.73050349,0.175444477,0.381618839,3.40E-11,5.96E-43,2.02E-96,1.32E-171,1.66E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.793087398,4.303382321,3.98655898,15.73934036,3.485747676,4.947842486,5.207628179,4.084079479,1.425774686,2.51910812,2.21E-10,3.87E-42,1.31E-95,8.54E-171,1.07E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.361918399,3.977740142,1.038224502,6.930095158,1.053660818,1.299606291,1.309984805,1.188231935,0.278317277,0.387045622,3.37E-11,5.91E-43,2.00E-96,1.30E-171,1.64E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.748236975,4.257081772,5.007934802,21.29567464,5.326994214,7.481461153,6.698074678,5.957566792,2.240944991,2.973853707,2.56E-10,4.50E-42,1.52E-95,9.93E-171,1.25E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.48411676,4.540845075,4.551021925,11.46571093,2.089555018,2.647268175,5.979101788,2.153369902,0.938562642,4.208160782,3.79E-10,6.65E-42,2.25E-95,1.47E-170,1.85E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.705780101,1.203785571,0.57112542,0.603875618,0.268660692,0.514743588,0.462403348,0.47042555,4.480691092,5.49003138,11.83098022,0.405813427,1.447572485,2.822338094,0.63992194,0.168854467,0.777264967,0.176232928,0.56161486,0.12936823,0.038865691,3.631114501,2.39069414,6.326772652,0.665897451,0.729848781,2.497576933,0.910143285,0.339285625,0.666552719,0.242898816,0.438497838,0.263183461,0.163212644,3.747005843,3.429343359,7.947597297,0.499829079,0.864893943,2.788648375,1.168970833,0.553133273,0.618222433,0.259152068,0.546582281,0.435786282,0.439267722,4.51075248,5.448939477,11.76282269,0.42733365,1.421636285,2.429587745,1.025368957,0.416550757,0.627556003,0.264850053,0.41509989,0.33477441,0.248381728,3.87150746,3.930388683,8.839617325,0.441334004,0.998256028,2.759740596,1.232707678,0.596946414,0.601329976,0.268599186,0.535469195,0.485043939,0.514291315,4.589394688,5.785231102,12.40540969,0.401994964,1.534804449,2.791359157,1.172391567,0.554407801,0.617809035,0.259484381,0.547656059,0.438281808,0.44111612,4.518158525,5.47010026,11.80259487,0.426713552,1.427053987 +UMLMON0074,L,2-methyl-butanol,CCC(C)CO,8723,"Sandia values from co-optima database and source [11], co-optima database values are from measurements from nrel and pnnl I think maybe we should use these, need UMLs opinion ","Sandia, UML",[11],C5H12O,PubChem,,87.9,0,1.626,2.643876,49.2166,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2005.6539,1915.914515,1384.238191,884.899684,376.416601,90.93168,9.144576,4670.34144,5841.481647,7855.078337,8077.010367,6748.637992,4976.170055,2923.948418,1247.927098,279.7536999,169.463656,175.052008,300.821808,362.062604,340.215676,315.19912,229.716388,163.638144,60.466176,34.11358067,43.47862034,61.52167806,65.85463273,57.81937125,45.43908282,29.05727825,14.68429815,4.001516144,3856.790689,3411.659229,6369.569539,7964.771286,7515.331096,7325.718654,5471.847343,4247.253023,1664.258868,48.05555556,58.33333333,86.44444444,99,90.91666667,74,51,30,9,60.70275442,67.17251842,47.75366429,37.56695127,28.83829565,19.66443742,11.40656367,3.78882,1.016064,194.59756,243.3950686,187.0256747,158.3727523,140.5966248,110.5815568,88.60449753,51.99696242,31.08374443,7.060985667,7.293833667,7.162424,7.099266745,7.087826583,7.004424889,6.961102667,6.818256,6.718464,1.421399194,1.811609181,1.464801859,1.291267308,1.204570234,1.009757396,0.880523583,0.611845756,0.444612905,160.6996121,142.1524679,151.6564176,156.171986,156.5693978,162.7937479,165.8135559,176.9688759,184.917652,2.002314815,2.430555556,2.058201058,1.941176471,1.894097222,1.644444444,1.545454545,1.25,1,0.050038363,-0.002252934,-0.008460761,-0.009773565,-0.016699774,0.002214172,-0.00371096,0.008783889,0.004880752,706.2183858,-7.82E-14,15.13325113,-17.65545965,-363.198027,-184.121222,-194.2100561,201.7766817,189.1656391,1313.243245,2.42E-13,28.14092668,-32.83108113,-675.3822403,-342.3812746,-361.1418924,375.2123557,351.7615835,0.138343333,2.23E-15,0.0029645,-0.003458583,-0.071148,-0.036068083,-0.038044417,0.039526667,0.03705625,5.870808328,1.35E-14,0.125803036,-0.146770208,-3.019272855,-1.5306036,-1.61447229,1.677373808,1.572537945,31.89032402,-1.08E-13,0.683364086,-0.7972581,-16.40073807,-8.314263047,-8.769839104,9.111521147,8.542051076,4.49537037,-0.49537037,0.559027778,0.259837963,-2.939814815,-0.602430556,-0.924189815,0.810185185,1.085069444,0.002084932,-9.39E-05,-2.01E-04,-1.92E-04,-3.48E-04,4.92E-05,-1.12E-04,3.66E-04,5.42E-04,29.42576608,-3.26E-15,0.360315503,-0.346185483,-7.566625562,-4.091582712,-5.885153215,8.407361736,21.01840434,54.71846854,1.01E-14,0.670022064,-0.643746689,-14.07046334,-7.608472769,-10.94369371,15.63384816,39.08462039,0.005764306,9.31E-17,7.06E-05,-6.78E-05,-0.00148225,-8.02E-04,-0.001152861,0.001646944,0.004117361,0.244617014,5.62E-16,0.00299531,-0.002877847,-0.062901518,-0.034013413,-0.048923403,0.069890575,0.174726438,1.328763501,-4.51E-15,0.016270573,-0.015632512,-0.341682043,-0.184761401,-0.2657527,0.379646714,0.949116786,0.187307099,-0.020640432,0.013310185,0.005094862,-0.061246142,-0.013387346,-0.028005752,0.033757716,0.120563272,-0.04502414,-0.096620273,-0.091915969,-0.166869708,0.023599725,-0.053936218,0.175543092,0.260107178,-1.11E-16,0.012244898,-0.011764706,-0.257142857,-0.139047619,-0.2,0.285714286,0.714285714,1.84E-16,0.012244898,-0.011764706,-0.257142857,-0.139047619,-0.2,0.285714286,0.714285714,1.62E-14,0.012244898,-0.011764706,-0.257142857,-0.139047619,-0.2,0.285714286,0.714285714,2.30E-15,0.012244898,-0.011764706,-0.257142857,-0.139047619,-0.2,0.285714286,0.714285714,-3.40E-15,0.012244898,-0.011764706,-0.257142857,-0.139047619,-0.2,0.285714286,0.714285714,-0.110195675,0.071060762,0.027200582,-0.326982492,-0.071472709,-0.149517835,0.180226571,0.643666323,1.139392832,1.023219236,1.079622031,1.324478752,0.977165269,0.938699789,0.503922097,0,1.15,1.032653061,1.005042017,1.232142857,1.051428571,1.075324675,0.492857143,0,1.15,1.032653061,1.005042017,1.232142857,1.051428571,1.075324675,0.492857143,0,1.15,1.032653061,1.005042017,1.232142857,1.051428571,1.075324675,0.492857143,0,1.15,1.032653061,1.005042017,1.232142857,1.051428571,1.075324675,0.492857143,0,1.15,1.032653061,1.005042017,1.232142857,1.051428571,1.075324675,0.492857143,0,1.279093718,0.883183758,0.9697704,1.379763131,0.947476828,1.046531224,0.639546859,0,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,47.36437185,23.38781855,33.68508962,47.30659407,4.730659407,23.38781855,-0.144444444,6.66E-16,6.66E-17,-34.9450411,4000024.041,400002.4041,15.20181093,0,11.89,12.11015511,-0.156960901,0.065322989,5.558256921,8.602201025,10,24,21,18,4,3,0,0,0,6,15.304898,3.821183088,3.187113103,2.957533536,2.506369281,2.408211274,1.608166766,1.603815697,0.855384625,2.007909421,1.675744272,1.520534873,1.04643109,1.010726892,0.725289572,0.686200459,0.272911904,3.832097664,3.217440143,2.994645901,2.541662255,2.447240048,1.696371143,1.695911688,0.973504521,1.976346355,1.601606812,1.440288491,0.963826287,0.91873368,0.591872591,0.558041529,0.10921766,3.882355278,3.35720401,3.162504313,2.697422216,2.620868137,2.072934023,2.058906935,1.45869598,1.892905126,1.386096379,1.196424465,0.728858084,0.65602962,0.14231256,0.125717527,0.452912596,3.840248665,3.240168173,3.022324042,2.567654668,2.476088112,1.762386402,1.760155049,1.059190678,1.957167475,1.554472888,1.388319553,0.911937169,0.860798102,0.502182141,0.471893803,0.001531568,3.908441391,3.428107175,3.245229397,2.774427119,2.707013602,2.238774667,2.218589849,1.66925518,1.869232078,1.320941753,1.119531764,0.657740328,0.576511551,0.017971902,0.028624583,0.657723944,3.856962273,3.227465597,3.070421639,2.648201686,2.541007049,1.817141377,1.812182168,1.18306542,1.943525969,1.543335035,1.315869829,0.819226463,0.785926279,0.419263867,0.380800473,0.137962042,0,0,0,4,2,2,2,0,0,0,0,0,0.083333333,0.11785113,0,0,0,0.027777778,0.03928371,0.40824829,0,0,0,0.23570226,0,0,0,0.932625685,1.22850154,1.352305361,0.489636154,0.551917411,0.542579092,7.397341225,4.863703305,3.715153309,3.046112076,2.143889804,1.593412989,0.745812289,0.353553391,0.739734123,0.486370331,0.309596109,0.217579434,0.142925987,0.099588312,0.074581229,0.058925565,6.723614639,3.942687549,2.527057686,1.807889833,1.069490284,0.701020891,0.310875228,0.126679943,0.672361464,0.394268755,0.21058814,0.129134988,0.071299352,0.043813806,0.031087523,0.021113324,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.8114,45.198,43.09324379,59.79346001,86.18648758,8.618648758,43.09324379,3.89E-16,3.89E-17,-35.4840376,4000018.863,400001.8863,15.20180963,90,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,4,0,0,4,0,0,0,0,0,0,0,0,2,0,2,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.66148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.54125,0,1.290555556,0,0,1.54125,0,0,0,0,0,0,0,0,4.378518519,0,2.293333333,0,0,8.773796296,0,0,0,0,2.887685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.443842593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0.285972222,0,0,0.363194444,0,0,0,0,0,0,0,0,2.189259259,0,1.146666667,0,0,2.136574074,0,0,0,0,1.443842593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.277777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.39875,0,0.359305556,0,0,0.39875,0,0,0,0,0,0,0,0,2.189259259,0,1.146666667,0,0,2.277777778,0,0,0,0,1.443842593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.33333333,1.833333333,0.39875,2.277777778,0.134097222,1.146666667,6.197808796,0.353333333,0.277777778,2.30462963,0.353333333,0.277777778,2.30462963,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.67902,0.6679,11.50267,4.82364,0.48236,2.89931,0.28993,4.86369,1.96438,0.19644,0.05031,0.00503,0.13631,0.01363,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.284159128,2.938721876,3.272055209,3.355388542,3.272055209,23.51685016,54.81981907,70.52932501,78.52932501,80.52932501,78.52932501,0.213713581,0.498184909,0.640947854,0.713649285,0.731824642,0.713649285,3.605093744,2.300803373,1.646240625,1.312907292,1.229573959,1.312907292,0.206076118,0.480381319,0.618042356,0.688145662,0.705671489,0.688145662,6.772325919,16.88939319,20.29712166,21.54907792,21.63306334,20.63306334,37.92632204,28.0806892,23.07894792,21.0427323,20.82731875,22.1198,8.1,4,2.285714286,2,6,2,2.56,1.28,0.166666667,3.861957538,1.414213562,0,6.603502479,7.412576046,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.894,12,14,15,16,10,6,1,0,0,94,2.63905733,3.113515309,3.590439381,4.027581346,4.440442938,4.07647756,3.725693427,1.802122256,0,0,5.77823265,3.427526596,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,0,3,6,1,2,0.666666667,0.5,0.382222222,0.180555556,0,0,0,0,0,0.2,0.055555556,0.045454545,0.054603175,0.045138889,0,0,0,0,0,0.400752165,25.06409266,36.35559528,50.12818532,5.012818532,25.06409266,2.22E-16,2.22E-17,-36.04365339,4000019.454,400001.9454,15.20180978,0,150.3504702,4.321928095,3.80666249,4.574710979,5.370638028,6.159095388,6.961296046,7.75319427,8.556606194,9.349145335,10.15280554,82.68415427,3.044522438,0,4.234106505,0,5.65248918,0,7.164720379,0,8.719480761,8.961237781,134.1095504,5.587897935,19.5689129,1.95689129,0,0,0,121,11,3.794,44,1.235929323,2.155957118,2.971810538,3.799774681,4.618309803,5.696812287,6.512070774,7.548772374,0,0,92.76161773,112.7646566,120.94984,123.0965996,101.9539536,70.6051698,26.61560324,7.670035854,0,0,323.5789178,429.7682809,497.4731145,571.7486397,549.0176111,522.5150598,353.2592955,234.6441113,0,0,9.045833162,15.4961248,21.15940378,27.01274811,32.46168676,39.70313665,44.47087797,50.71615544,0,0,2.362509317,3.315612513,4.00180521,4.802717414,4.917068935,5.129669507,4.101542969,3.356281613,0,0,173.7497847,323.1510935,459.6605685,589.1970381,743.3130033,941.1254289,1146.865086,1395.901263,0,0,3.093648486,4.590750711,5.92606654,7.380086239,7.828746841,8.918068011,8.315233634,7.548772374,0,0,0.486472119,0.690464497,0.840120244,1.015173092,1.051432538,1.112904854,0.914951257,0.772994291,0,0,306.9655418,157.1849429,10.9210592,89.66010531,-45.91140246,-5.034427789,217.3054365,203.0963453,15.95548699,0.773942744,0.396305544,0.027534929,0.226057256,-0.115755002,-0.012693147,121.7504066,62.34357968,4.331572174,35.56149729,-18.20963971,-1.99678318,0.121664159,0.119644362,2.190848765,1.147609419,396.6256471,0,1,0,729.0594248,27.00110044,9.00024454,865.5271791,29.41984329,9.530014688,1262.242732,35.52805556,10.80722748,1.534866669,1.534866669,740.737183,627.0928508,176.9721251,1.181224092,4.185615009,3.543455504,4.513777929,4.389329297,8.621033032,0.964088919,4.231360714,4.769035699,3.691802671,11.73008266,8.033630783,6.022030283,7.139713855,7.076058136,6.232359651,7.420134298,4.31923933,2.475466921,0.572471613,1.256133305,0.09857933,0.231164319,5.79E-07,2.80E-34,2.61E-83,4.69E-154,1.63E-246,0,0,0,0,0,0,0,0,0,0.355218392,4.768829469,0.279487503,5.583306477,1.860630198,1.763495673,0.5127027,1.547034419,2.310853052,0.342339141,0.260577683,0.069356756,0.24008568,0.010072389,0.001034192,0.001628109,4.08E-09,1.97E-36,1.84E-85,3.31E-156,1.15E-248,0,0,0,0,0,0,0,0,0,1.146421676,4.768843705,0.92157037,6.32935028,2.481358468,2.42232696,1.629711524,2.465107818,3.073723379,1.28967198,0.812930845,0.315081644,0.263699797,0.095341212,0.008108408,0.016966153,4.25E-08,2.06E-35,1.92E-84,3.45E-155,1.20E-247,0,0,0,0,0,0,0,0,0,3.994066058,4.769013218,3.463642908,11.17383993,7.429556437,5.68688395,6.650628205,6.663100895,5.978988749,6.810874506,3.973093742,2.241347416,0.536475036,1.120035879,0.088066443,0.205963247,5.16E-07,2.49E-34,2.33E-83,4.18E-154,1.45E-246,0,0,0,0,0,0,0,0,0,1.689557927,4.76886175,1.378505503,6.992512973,3.097294157,2.937073943,2.466488886,3.157843641,3.608572015,2.087673457,1.274085623,0.556632422,0.293043823,0.204078574,0.016776155,0.036852752,9.23E-08,4.46E-35,4.16E-84,7.48E-155,2.60E-247,0,0,0,0,0,0,0,0,0,5.109956015,4.769130128,4.558444174,13.99390914,10.5270426,7.347449482,9.045255025,8.689612983,7.185578161,9.875740992,5.711765798,3.440882709,0.723518033,1.827955654,0.142660062,0.337131435,8.45E-07,4.08E-34,3.81E-83,6.85E-154,2.37E-246,0,0,0,0,0,0,0,0,0,2.35192853,4.134393285,1.813620252,7.568372385,4.382097001,3.970114796,3.620928264,3.975932942,4.047202973,2.971887517,1.929546242,0.937228758,0.383568744,0.378467598,0.03064474,0.068776161,1.72E-07,8.33E-35,7.77E-84,1.40E-154,4.84E-247,0,0,0,0,0,0,0,0,0,6.463346586,1.704480258,0.559525116,0.740585073,0.195303256,0.573888824,0.371788391,0.366078081,8.72735196,15.58675092,30.47819337,0.610877609,1.311755296,4.439578269,1.103844243,0.236057223,0.768162269,0.190993704,0.271925271,0.155939378,0.065905561,5.779479735,6.209167838,13.14547029,0.652243404,0.49377021,5.158040446,1.317180164,0.351281576,0.755590536,0.192950962,0.366333762,0.222033602,0.145536744,6.826502185,9.068694259,18.28182755,0.633385804,0.733904108,6.40367332,1.68678032,0.550027203,0.741124648,0.195218339,0.563386178,0.364107445,0.353903885,8.640480843,15.25155972,29.83320897,0.611686971,1.281397509,5.511728572,1.42215406,0.407822608,0.750742286,0.193708956,0.417981733,0.258831176,0.1957457,7.341705239,10.66632126,21.20475509,0.626113428,0.872558608,6.653981872,1.761022426,0.589856381,0.73893224,0.195563539,0.608092175,0.396862152,0.406297403,9.004860679,16.68145528,32.59814172,0.60839836,1.41125173,6.402860356,1.689894174,0.549391401,0.740887785,0.195541037,0.563143253,0.365453099,0.352753126,8.642145931,15.26624616,29.85289298,0.611331677,1.281349478 +UMLMON0075,L,m-diethylbenzene,CCC1=CC(=CC=C1)CC,8864,Sandia values from independent API report ,Sandia,,C10H14,PubChem,,97,0,0.691,0.477481,22.1338,14.134344,0,0,13,5,8,0,5,0,0,0,0,0,0,0,0,0,729.449117,818.177309,918.082205,206.92224,12.192768,0,0,0,0,2366.254464,3035.47744,4046.621604,2239.87454,373.0049332,0,0,0,0,91.450292,94.643636,171.740084,201.222144,80.621568,0,0,0,0,17.50140324,22.85285448,33.09504767,23.59667672,5.335354858,0,0,0,0,2113.312997,1858.952162,3638.6855,4853.89024,2219.011824,0,0,0,0,22.75,27.5,44.25,41,12,0,0,0,0,56.11147054,62.93671608,38.25342521,7.135249655,1.016064,0,0,0,0,182.0195742,233.4982646,168.6092335,77.23705309,31.08374443,0,0,0,0,7.034637846,7.280279692,7.155836833,6.938694621,6.718464,0,0,0,0,1.346261788,1.757911883,1.37896032,0.813678508,0.444612905,0,0,0,0,162.5625382,142.9963202,151.6118958,167.3755255,184.917652,0,0,0,0,1.75,2.115384615,1.84375,1.413793103,1,0,0,0,0,0.031695836,2.29E-04,-0.016160245,-0.016864274,0.016947218,0,0,0,0,372.5107969,2.13E-14,-175.5098947,-225.6555789,214.9100751,0,0,0,0,692.6997337,2.42E-13,-326.3681437,-419.6161848,399.6344617,0,0,0,0,0.072972308,5.43E-16,-0.034381183,-0.044204379,0.042099408,0,0,0,0,3.096690107,-1.17E-15,-1.459017454,-1.875879584,1.786551985,0,0,0,0,16.82126981,3.15E-14,-7.925405968,-10.18980767,9.704578737,0,0,0,0,1.807692308,0.211538462,-0.856508876,-1.128698225,0.869822485,0,0,0,0,0.002438141,1.76E-05,-6.73E-04,-5.82E-04,0.001412268,0,0,0,0,28.65467669,1.64E-15,-7.312912279,-7.781226859,17.90917293,0,0,0,0,53.2845949,1.86E-14,-13.59867266,-14.46952361,33.30287181,0,0,0,0,0.005613254,4.18E-17,-0.001432549,-0.001524289,0.003508284,0,0,0,0,0.238206931,-8.97E-17,-0.060792394,-0.064685503,0.148879332,0,0,0,0,1.293943832,2.43E-15,-0.330225249,-0.351372678,0.808714895,0,0,0,0,0.139053254,0.016272189,-0.03568787,-0.038920628,0.072485207,0,0,0,0,0.007237003,-0.276170852,-0.238512299,0.579239673,0,0,0,0,5.72E-17,-0.255208333,-0.271551724,0.625,0,0,0,0,3.49E-16,-0.255208333,-0.271551724,0.625,0,0,0,0,7.44E-15,-0.255208333,-0.271551724,0.625,0,0,0,0,-3.76E-16,-0.255208333,-0.271551724,0.625,0,0,0,0,1.87E-15,-0.255208333,-0.271551724,0.625,0,0,0,0,0.117021277,-0.256648936,-0.279897285,0.521276596,0,0,0,0,1.102152261,1.285721545,1.090524023,0.099125573,0,0,0,0,1.2,1.3,1.075862069,0,0,0,0,0,1.2,1.3,1.075862069,0,0,0,0,0,1.2,1.3,1.075862069,0,0,0,0,0,1.2,1.3,1.075862069,0,0,0,0,0,1.2,1.3,1.075862069,0,0,0,0,0,1.021276596,1.313829787,1.144534116,0,0,0,0,0,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,11.83033946,5.865169728,8.879772264,11.77033946,2.354067891,5.873442411,-0.1,0.177576857,0.035515371,-0.864175883,31.27150805,6.254301611,1.721353699,0,11.9,12.10006119,-0.164711685,0.042369812,6.16983725,6.412469435,5,13,12,12,4,1,1,0,0,1,8.745656,3.620859225,2.457043703,2.327176487,1.172599198,0.757912782,0.083923071,0.083923071,0.083923071,1.68994998,1.654416234,0.677040456,0.635465568,0.259103803,0.083923071,0.083923071,0.083923071,3.64248339,2.497756349,2.379581864,1.290331218,0.892820568,0.270913902,0.270913902,0.270913902,1.621062059,1.600960531,0.54382766,0.490847486,0.091706145,0.270913902,0.270913902,0.270913902,3.738694411,2.681331202,2.611518213,1.756775348,1.420292581,0.943918427,0.943918427,0.943918427,1.450772367,1.416054141,0.107415136,0.007199954,0.492421976,0.943918427,0.943918427,0.943918427,3.658471199,2.528052663,2.41837923,1.374324936,0.988683955,0.399277246,0.399277246,0.399277246,1.576960957,1.567535916,0.45518634,0.393916432,0.022073891,0.399277246,0.399277246,0.399277246,3.78628053,2.772175182,2.723231627,1.955311318,1.641104289,1.207644823,1.207644823,1.207644823,1.406175444,1.351583295,0.042915611,0.163649465,0.711314831,1.207644823,1.207644823,1.207644823,3.703950215,2.599250803,2.434751473,1.477157836,1.168651885,0.588235294,0.588235294,0.588235294,1.590512755,1.45905695,0.323265853,0.27704188,0.207291696,0.588235294,0.588235294,0.588235294,0,0,0,2,0,0,3,0,0,0,0,0.176776695,0,0,0,0,0.11785113,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.535533906,2.5,1.767766953,1.25,0.883883476,0,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0,0,0,3.276020882,2.149829914,1.402308181,0.90824829,0.589255651,0,0,0,0.655204176,0.429965983,0.280461636,0.181649658,0.11785113,0,0,0,7.167311215,12.55134741,11.90196078,12.04,8.194217964,98.85571497,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,1.65269,22.721,14,18.61803399,28,5.6,14.000001,1.11E-16,2.22E-17,-18.36840028,19.22543377,3.845086753,1.478117039,20,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,2,0,2,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.663888889,0,0,0.836111111,0.580555556,0,0.663888889,0,0,0,0,0,0,0,0,0,0,4.027777778,0,4.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331944444,0,0,0.255555556,0.290277778,0,0.331944444,0,0,0,0,0,0,0,0,0,0,1.319444444,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331944444,0,0,0.290277778,0.290277778,0,0.331944444,0,0,0,0,0,0,0,0,0,0,1.388888889,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.5,1.7,0.331944444,2.236111111,0.255555556,1.319444444,3.193611111,0.180555556,0.236111111,0.944444444,0.180555556,0.236111111,0.944444444,2.5,0.5,0,0,0.45385,0.7,0.43333,0.43333,0.7,0.02051,0.02051,0,0,0.71429,0,0,0,0,0,3.5,0.7,2.5,0.5,1,0.2,-1.5,-0.3,0,0,2.91421,0.58284,3.75,0.83579,0.16716,1.95711,0.39142,2.5,0.54289,0.10858,-0.086,-0.0172,0,0,0.384615385,5,0,0,0,0,0,0,0.6,0.961236605,2.045841641,2.469670487,2.469670487,2.469670487,2.469670487,12.49607586,26.59594133,32.10571634,32.10571634,32.10571634,32.10571634,0.259762806,0.552864469,0.667399195,0.667399195,0.667399195,0.667399195,2.739203113,1.654598077,1.230769231,1.230769231,1.230769231,1.230769231,0.252468347,0.537339356,0.648657805,0.648657805,0.648657805,0.648657805,6.796774065,14.32421229,14.75135761,14.75135761,14.75135761,14.75135761,19.35422196,15.59866796,15.43340754,15.43340754,15.43340754,15.43340754,3.2,1.44,0.64,0,2,0,2.01,0.6615,0,0,0,0,7.071067812,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.093,0.088,0.377,0.384,2.565,5,5,5,0,0,0,0,0,0,25,1.945910149,2.079441542,2.197224577,2.302585093,0,0,0,0,0,0,3.583518938,1.4,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,8.618033989,12,2.4,6.006204681,0,0,0,13.96759521,2.793519041,1.318370009,0,80.04346443,3.321928095,3.044522438,3.713572067,4.394449155,5.081404365,5.771441123,6.463029457,7.155396302,7.848153086,8.541105011,62.013073,2.397895273,0,3.433987204,2.397895273,4.615120517,4.262679877,5.860786223,5.888877958,7.147559271,7.6989362,68.06260026,5.235584635,9.6875,1.9375,0,0,0,15,0,2.329,20,1.307421772,2.338722016,3.174417217,4.228503302,0,0,0,0,0,0,98.3406332,97.29960195,24.08891716,4.296429979,0,0,0,0,0,0,342.7945308,416.3991437,256.033555,131.437716,0,0,0,0,0,0,9.569772486,16.78427923,22.07808923,28.40904721,0,0,0,0,0,0,2.501871769,3.358755992,2.669724635,1.880047136,0,0,0,0,0,0,183.7578818,351.0896017,527.1954892,781.9249021,0,0,0,0,0,0,2.861522469,4.380867935,4.569784245,4.228503302,0,0,0,0,0,0,0.515132439,0.704522243,0.583901927,0.432998738,0,0,0,0,0,0,273.8488355,79.68637153,9.618153015,190.9562117,-55.56571968,-9.87138648,82.89262386,135.2520912,19.48953949,0.589169238,0.171440418,0.020692876,0.410830762,-0.119546292,-0.021237692,127.2863209,37.03862768,4.470566066,88.75741097,-25.82722696,-4.588270259,0.195526966,0.302151885,5.718254113,11.65928446,464.8050472,0,1,0,293.7345153,17.13868476,6.647397669,371.6554286,19.27836685,7.189745101,402.18915,20.05465407,7.381480046,1.151022885,1.012539233,151.2400741,84.78170838,76.46624545,1.783876227,1.977867139,1.108746845,3.028578014,3.430406433,4.581102973,0.335440294,2.394536895,1.716704967,5.562929419,7.8741723,3.60744996,7.595450386,5.385121388,2.949763906,3.20E-08,2.25E-37,3.71E-88,1.22E-160,7.79E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.200971372,1.716578428,1.666144685,0.803103081,0.269415205,0.531285181,0.056167488,0.020775428,2.26E-10,1.58E-39,2.61E-90,8.59E-163,5.49E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.64872486,1.71658715,2.446919965,1.601561867,0.851052844,1.784997494,0.442098598,0.216495982,2.35E-09,1.65E-38,2.72E-89,8.96E-162,5.72E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.260248386,1.716691169,5.319191351,7.213143246,3.36781796,7.096396156,4.810605277,2.628186534,2.85E-08,2.00E-37,3.30E-88,1.09E-160,6.94E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.956093593,1.716598217,2.9872451,2.341162119,1.279939687,2.701522385,0.915413683,0.470258202,5.11E-09,3.58E-38,5.91E-89,1.95E-161,1.24E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.891746802,1.716762928,6.471262938,10.5807049,4.534757075,9.518832765,7.794200805,4.301953433,4.67E-08,3.28E-37,5.41E-88,1.78E-160,1.14E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.367613753,1.802875767,3.925140017,3.527280786,2.252042725,4.30231823,1.9044102,1.020679552,1.11E-08,7.78E-38,1.28E-88,4.22E-161,2.70E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.815087021,1.764702996,0.381422245,0.458215036,0.445495692,0.459690922,0.574946159,0.460235192,3.961212262,4.568501049,9.751442901,0.355566092,1.494872273,1.179457438,1.049852074,0.07347322,0.512187894,0.455905831,0.19186788,0.201457431,0.017079103,2.302782732,1.402050385,3.795811761,0.452140587,0.410404414,1.414635865,1.314666435,0.187486239,0.484997745,0.450723944,0.276172504,0.316153337,0.111206184,2.916788539,2.371480913,5.636951538,0.403582535,0.703532025,1.797470513,1.744962214,0.372903696,0.459084564,0.445673635,0.450165316,0.561526116,0.439908159,3.915336424,4.457504385,9.542460012,0.357137297,1.451599591,1.5264102,1.440448135,0.241655959,0.475737385,0.448945525,0.321815471,0.379873121,0.184747357,3.208514294,2.915673721,6.655520529,0.387024366,0.886435949,1.870963793,1.827238939,0.408423788,0.455596287,0.444948897,0.491514656,0.61938656,0.527700138,4.106626519,4.929131862,10.43203592,0.350817775,1.638601354,1.800889577,1.744139754,0.37362662,0.459568178,0.445086217,0.451196602,0.5603276,0.441611128,3.91865595,4.465520428,9.55773875,0.356981594,1.453135329 +UMLMON0076,L,cyclopentene,C1CC=CC1,8882,,"Sandia, UML",[1],C5H8,PubChem,,69.7,0,-0.9949,0.98982601,19.7783,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,1082.455342,1224.686158,755.170631,145.367712,8.128512,0,0,0,2644.81273,3446.892775,4618.785718,3810.943601,1579.260103,248.6699554,0,0,0,118.238936,121.406152,235.588936,284.377124,183.378816,53.747712,0,0,0,19.03383305,24.9697231,36.01312543,33.98672738,17.09169693,3.556903239,0,0,0,2668.599586,2345.089558,4929.150212,6556.312343,4554.031367,1479.341216,0,0,0,33.5,34.5,62.5,63.75,35,8,0,0,0,61.71557788,67.65345887,39.5060051,19.36334951,5.591065846,1.016064,0,0,0,165.3007956,215.4307984,148.9930877,97.71650259,60.7407732,31.08374443,0,0,0,7.3899335,7.5878845,7.599643097,7.291721128,7.053031385,6.718464,0,0,0,1.189614566,1.560607694,1.161713723,0.871454548,0.657372959,0.444612905,0,0,0,166.7874742,146.5680974,159.0048455,168.1105729,175.1550526,184.917652,0,0,0,2.09375,2.15625,2.016129032,1.634615385,1.346153846,1,0,0,0,0.17088783,-0.031153572,-0.066109633,-0.007703318,0.006514051,0.013008557,0,0,0,523.7576238,26.4309685,-237.6289289,-185.2531665,-18.57893609,153.1512511,0,0,0,766.4429154,-57.19330087,-307.9200666,-231.2757751,-8.153021144,221.320706,0,0,0,1.03666,0.035866,-0.35967425,-0.25600825,-0.0433955,0.104882,0,0,0,3.391946473,-0.591328798,-1.148558163,-0.809363516,0.024049298,0.829227942,0,0,0,18.82152525,-3.792909478,-5.987636718,-4.105484193,0.218556451,4.256711311,0,0,0,5.9375,0.375,-2.22265625,-1.62890625,-0.2734375,0.78125,0,0,0,0.010680489,-0.001947098,-0.002132569,-1.98E-04,2.51E-04,0.00162607,0,0,0,32.73485148,1.651935531,-7.665449319,-4.750081193,-0.714574465,19.14390639,0,0,0,47.90268221,-3.574581304,-9.932905374,-5.930148078,-0.313577736,27.66508825,0,0,0,0.06479125,0.002241625,-0.011602395,-0.006564314,-0.001669058,0.01311025,0,0,0,0.211996655,-0.03695805,-0.037050263,-0.020752911,9.25E-04,0.103653493,0,0,0,1.176345328,-0.237056842,-0.193149572,-0.105268825,0.008406017,0.532088914,0,0,0,0.37109375,0.0234375,-0.071698589,-0.041766827,-0.010516827,0.09765625,0,0,0,-0.182304217,-0.199669578,-0.018493627,0.023457768,0.152246732,0,0,0,0.050464122,-0.234167836,-0.145107767,-0.021829165,0.584817267,0,0,0,-0.074621736,-0.207355933,-0.123795742,-0.006546142,0.577526914,0,0,0,0.03459765,-0.179073488,-0.101314824,-0.025760542,0.202345996,0,0,0,-0.174333175,-0.174768151,-0.097892633,0.004363149,0.488939285,0,0,0,-0.201519772,-0.164194618,-0.08948803,0.007145876,0.452323736,0,0,0,0.063157895,-0.193208829,-0.112550607,-0.028340081,0.263157895,0,0,0,1.107520365,1.552120506,0.966057203,0.623972776,0.03305192,0,0,0,1.111978186,1.324694594,1.047122857,0.780962508,0,0,0,0,1.418997242,1.264132086,0.996179446,0.740651964,0,0,0,0,0.852838684,1.526247757,1.060227446,0.680462699,0,0,0,0,1.599066754,1.261248431,0.959815144,0.687824614,0,0,0,0,1.638427349,1.267296133,0.950539389,0.67030562,0,0,0,0,0.828947368,1.507640068,1.068825911,0.704453441,0,0,0,0,17.61143424,8.46605325,12.36315014,17.61143424,2.935239039,8.466879986,0.25,0.057814983,0.009635831,-1.710304386,15.76640885,2.627734809,1.654728993,17.61223995,8.467597665,12.36481191,17.61223995,2.935373325,8.46842272,0.249265579,0.057640123,0.009606687,-1.712121828,15.76828788,2.628047981,1.654800496,20.16164663,9.881326074,14.3197314,19.89565031,3.315941718,9.88147755,-0.398994478,5.77E-15,9.62E-16,-19.67133411,4000004.039,666667.3399,9.121083557,17.61308772,8.4692187,12.36655725,17.61308772,2.93551462,8.470041995,0.2484948,0.057456626,0.009576104,-1.714034964,15.77026544,2.628377573,1.65487574,23.98983354,11.45376964,17.08052936,23.26830403,3.878050671,11.45379992,-1.082294264,0.173264547,0.028877425,-1.051761407,33.04315228,5.507192047,2.098688611,17.70666325,8.628502819,12.54370929,17.70666325,2.951110541,8.62917195,0.173134186,0.03963594,0.00660599,-1.936811393,15.99158118,2.66526353,1.663237445,17.4518693,7.806268015,11.74686957,17.4518693,2.908644883,7.808333911,0.571428571,0.13524116,0.022540193,-1.200417433,15.36921108,2.56153518,1.639419737,0,11.9,15.99491589,-0.38063332,0.115952541,5.379741846,6.357017277,6,16,16,16,6,0,0,0,0,0,12.84807,3.54183204,2.750129472,2.638600808,1.456797487,1.276760675,0.703855583,0.083923071,0.083923071,1.885671916,1.372874417,1.142970565,0.666206401,0.54860844,0.083923071,0.083923071,0.083923071,3.51478589,2.792995694,2.544949708,1.556142907,1.342345072,0.497687803,0.270913902,0.270913902,1.858049396,1.285229005,1.112288376,0.522081792,0.401889891,0.270913902,0.270913902,0.270913902,3.676390744,2.981537655,2.833908695,1.9628467,1.808486578,1.135105268,0.943918427,0.943918427,1.654331719,1.018928274,0.764578757,0.037619229,0.127437254,0.943918427,0.943918427,0.943918427,3.52143931,2.824624264,2.538218861,1.62787375,1.414363535,0.439979556,0.399277246,0.399277246,1.840606975,1.228596505,1.091681639,0.425347018,0.303641391,0.399277246,0.399277246,0.399277246,3.720804588,3.072480534,2.895577156,2.141548494,1.995771008,1.208515408,1.207644823,1.207644823,1.6073773,0.933903671,0.695082274,0.135164289,0.314111956,1.207644823,1.207644823,1.207644823,3.803282081,3.013283373,2.896805253,1.786299648,1.715669512,1.348688893,0.666666667,0.666666667,1.68623216,1.119632981,0.788530327,0.230138587,0.07282804,0.666666667,0.666666667,0.666666667,0,0,0,0,0,2,3,0,0,0,0,0,0.125,0,0,0,0,0.072168784,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,3.943782196,2.577350269,1.673032607,1.077350269,0.687087058,0.433012702,0,0,0.657297033,0.429558378,0.278838768,0.179558378,0.11451451,0.072168784,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,1.1869,24.67,21,27,42,7,21,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,36,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.069444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.784722222,0,0,0,0,0,0,0,0,0,0,0,0,0,5.930555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.069444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.069444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.069444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.069444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,1.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.069444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.45,5.069444444,0.215277778,1,2.858527778,0.5,1.569444444,3.138888889,0.5,1.569444444,3.138888889,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.43333,0.49792,0.82778,0.06458,0,-0.06458,0,0.57047,0.14382,0,0,0,0,3.5,0.58333,3.5,0.58333,0,0,-3.5,-0.58333,0,0,4.13051,0.68842,5,0.86949,0.14492,2.49071,0.41512,3,0.50929,0.08488,-0.086,-0.01433,0,0,0.375,6.01,1,1,1,1,0,0,1,1.198192411,1.501614472,2.280639062,2.625,2.625,2.625,19.17107858,24.02583155,36.490225,42,42,42,0.299548103,0.375403618,0.570159766,0.65625,0.65625,0.65625,2.801807589,2.498385528,1.719360938,1.375,1.375,1.375,0.299548103,0.375403618,0.570159766,0.65625,0.65625,0.65625,10.71860945,14.35967418,17.0374325,17.38448807,17.38448807,17.38448807,21.96987352,18.88870097,17.68383437,17.25,17.25,17.25,4.166666667,2.222222222,1.333333333,0,0,0,1.9,0.7632,0,0,0,0,6.083643419,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.402,0.394,0.462,0.261,2.984,6,6,6,6,0,0,0,0,0,36,1.945910149,1.945910149,1.945910149,1.945910149,1.945910149,0,0,0,0,0,3.610917913,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,13,18,3,9.000420062,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,9.23,91.47014983,3.584962501,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,65.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921172722,86.07316494,5.379572809,11.8125,1.96875,2.9375,2.9375,0,27,3,0.884,24,1.285881189,2.222301452,3.001590843,3.842409729,4.381453488,0,0,0,0,0,102.7072829,100.5482493,60.64032659,21.07017027,4.451837157,0,0,0,0,0,306.768031,358.9799367,306.6147308,230.1583811,136.1919805,0,0,0,0,0,9.877419892,16.99053339,22.03000666,27.0898924,29.43663753,0,0,0,0,0,2.144404341,2.730191076,2.708739411,2.499455625,1.948050763,0,0,0,0,0,186.4188033,349.4930778,500.3474224,674.2827223,810.2080914,0,0,0,0,0,2.94348833,4.632666748,5.058595882,5.157248405,4.381453488,0,0,0,0,0,0.48323981,0.634376233,0.630423103,0.581128369,0.448660837,0,0,0,0,0,257.2964383,125.6753519,10.41013292,34.45388754,-16.82885496,-9.814700279,222.8425508,142.5042069,20.2248332,0.881906259,0.430763364,0.03568165,0.118093741,-0.057682386,-0.033640752,75.06631973,36.66582488,3.037159673,10.05193292,-4.909823917,-2.863442005,0.115297002,0.779249491,2.609269783,19.37373889,266.888277,24.86204884,0.914783133,0.085216867,403.8060986,20.09492718,7.391358909,500.6764594,22.37580075,7.940583021,594.3903508,24.38012204,8.407958966,1.221830792,1.021006725,222.0410466,136.5562369,111.2799956,1.626004434,1.995336586,1.227140926,3.309123658,3.781095539,4.928936118,0.303573546,2.78900665,2.230353339,9.808444068,9.694235037,6.509657768,7.376584608,4.96647318,0.779925423,0.628476692,6.87E-15,1.51E-50,6.39E-108,5.22E-187,8.23E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234063024,2.815116404,0.769077964,2.91295698,2.527246893,0.461921917,0.277848522,0.005493187,0.004426413,4.84E-17,1.06E-52,4.50E-110,3.68E-189,5.80E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.755581488,1.727685788,2.260353316,3.857525779,2.935550459,1.544102852,0.902964779,0.057242393,0.046126633,5.04E-16,1.11E-51,4.69E-109,3.83E-188,6.04E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.632594832,2.812897129,9.370018603,9.335585244,6.557528189,6.954228353,4.760571334,0.694899586,0.559961418,6.12E-15,1.34E-50,5.69E-108,4.65E-187,7.33E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.113587564,1.314453509,3.328247978,4.647398683,3.253844833,2.35497342,1.380302164,0.124337859,0.100193212,1.10E-15,2.41E-51,1.02E-108,8.32E-188,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368129211,2.59934954,12.52482864,11.70832251,8.073286699,9.537664127,6.648463736,1.137447576,0.91657419,1.00E-14,2.20E-50,9.32E-108,7.62E-187,1.20E-287,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.859338139,4.579323223,6.724176694,7.438549204,5.86018973,4.738169154,3.373769304,0.346633836,0.279322974,3.05E-15,6.71E-51,2.84E-108,2.32E-187,3.66E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.147446555,1.561672568,0.541545581,0.505202528,0.367394908,0.599794019,0.659985586,0.516806677,4.250664703,5.362265444,11.42906194,0.308896154,1.776586282,1.505237273,1.152077549,0.157473344,0.53476041,0.409294583,0.322021393,0.216660912,0.034005804,2.814788166,2.152606318,5.240476893,0.41608249,0.572688109,1.722262251,1.314339179,0.306810018,0.51512124,0.393113202,0.371519456,0.430094783,0.156623995,3.343411448,3.195296492,7.233214373,0.362351663,0.958238234,2.093655119,1.568037666,0.529208324,0.499571587,0.374152867,0.559846467,0.643578977,0.485581587,4.19090111,5.22072839,11.14898343,0.310586682,1.689007032,1.88248207,1.358426774,0.375248118,0.520575321,0.375654815,0.461123816,0.498468282,0.245802482,3.616156962,3.77335899,8.34910571,0.344345203,1.20539458,2.192180044,1.599345272,0.571125213,0.502488116,0.366599447,0.624296943,0.6911984,0.575131455,4.362650529,5.671488493,12.03653417,0.303631344,1.890626798,2.115206595,1.562882116,0.533162175,0.502275132,0.371120638,0.576484928,0.650450914,0.497058252,4.211250887,5.266836338,11.24062464,0.310093655,1.723994093 +UMLMON0077,L,tetrahydropyran,C1CCOCC1,8894,,UML,[1],C5H10O,PubChem,,35.4,0,-1.3374,1.78863876,26.3554,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1047.281597,871.862212,675.105483,478.348754,281.592025,84.835296,9.144576,3461.958223,4376.887272,5442.657723,5088.618011,4081.819666,3075.021321,2068.222976,1061.424631,279.7536999,160.279036,159.125208,296.664116,374.86696,311.98206,249.09716,186.21226,123.32736,60.466176,26.63610648,34.55010896,47.78739401,48.10273616,39.0812073,30.05967844,21.03814958,12.01662072,4.001516144,3846.242925,3210.7269,6649.252193,9053.567731,7574.612576,6095.657421,4616.702266,3137.747111,1664.258868,35.25,42,64.75,73.5,61.25,49,37,24,9,44.61329874,48.14991518,24.93527612,16.14559652,15.00234407,13.28746539,10.42933426,4.713072,1.016064,150.5199227,198.9494215,129.5870886,94.23366687,90.70710369,85.41725893,76.60085098,58.96803508,31.08374443,6.968653739,7.232964,7.063431333,6.941980741,6.932934667,6.919365556,6.89675037,6.85152,6.718464,1.158091586,1.570459498,1.137795096,0.89079141,0.868471273,0.834991068,0.779190725,0.66759004,0.444612905,167.2279533,145.9421318,158.3155284,167.6586617,168.3247239,169.3238172,170.9889728,174.3192839,184.917652,1.532608696,1.909090909,1.541666667,1.361111111,1.361111111,1.361111111,1.37037037,1.333333333,1,0.033165437,-0.004413881,-0.01485432,-9.76E-05,1.04E-05,4.11E-05,-2.27E-04,-0.001768116,0.004726855,589.5388264,-58.58770946,-250.1420564,-15.56236033,-16.47779329,-17.39322625,-18.30865921,-19.22409217,100.9264839,1096.272622,-108.9463475,-465.1498353,-28.93887356,-30.64116024,-32.34344692,-34.0457336,-35.74802028,187.6771065,0.115486609,-0.01147693,-0.049001112,-0.00304856,-0.003227887,-0.003407214,-0.003586541,-0.003765868,0.019770805,4.900848691,-0.487040864,-2.079436188,-0.129370229,-0.136980243,-0.144590256,-0.15220027,-0.159810283,0.839003988,26.62148787,-2.645613702,-11.29553038,-0.70274114,-0.744078854,-0.785416568,-0.826754282,-0.868091996,4.557482978,2.369565217,-0.679584121,-0.75094518,0.04536862,0.037807183,0.030245747,0.27268431,-0.484877127,0.344517958,0.001441976,-2.01E-04,-3.54E-04,-1.81E-06,2.31E-07,1.14E-06,-8.41E-06,-9.82E-05,5.25E-04,25.63212289,-2.663077703,-5.955763248,-0.288191858,-0.366173184,-0.483145173,-0.678098489,-1.06800512,11.21405376,47.66402704,-4.952106706,-11.07499608,-0.535905066,-0.680914672,-0.898429081,-1.260953096,-1.986001127,20.85301183,0.005021157,-5.22E-04,-0.001166693,-5.65E-05,-7.17E-05,-9.46E-05,-1.33E-04,-2.09E-04,0.002196756,0.213080378,-0.022138221,-0.049510385,-0.002395745,-0.003044005,-0.004016396,-0.005637047,-0.008878349,0.093222665,1.157455995,-0.120255168,-0.268941199,-0.013013725,-0.016535086,-0.021817127,-0.030620529,-0.048227333,0.506386998,0.103024575,-0.030890187,-0.017879647,8.40E-04,8.40E-04,8.40E-04,0.010099419,-0.026937618,0.038279773,-0.139136174,-0.245270661,-0.001253869,1.60E-04,7.92E-04,-0.005833771,-0.068120906,0.364226813,-0.103896104,-0.232355442,-0.011243386,-0.014285714,-0.018849206,-0.026455026,-0.041666667,0.4375,-0.103896104,-0.232355442,-0.011243386,-0.014285714,-0.018849206,-0.026455026,-0.041666667,0.4375,-0.103896104,-0.232355442,-0.011243386,-0.014285714,-0.018849206,-0.026455026,-0.041666667,0.4375,-0.103896104,-0.232355442,-0.011243386,-0.014285714,-0.018849206,-0.026455026,-0.041666667,0.4375,-0.103896104,-0.232355442,-0.011243386,-0.014285714,-0.018849206,-0.026455026,-0.041666667,0.4375,-0.299833194,-0.173547401,0.008154944,0.008154944,0.008154944,0.098029222,-0.26146789,0.371559633,1.677769697,1.366325958,0.894779892,0.887272769,0.877345483,0.866368597,0.860088788,0,1.642857143,1.398384354,0.920304233,0.903571429,0.878472222,0.836640212,0.75297619,0,1.642857143,1.398384354,0.920304233,0.903571429,0.878472222,0.836640212,0.75297619,0,1.642857143,1.398384354,0.920304233,0.903571429,0.878472222,0.836640212,0.75297619,0,1.642857143,1.398384354,0.920304233,0.903571429,0.878472222,0.836640212,0.75297619,0,1.642857143,1.398384354,0.920304233,0.903571429,0.878472222,0.836640212,0.75297619,0,1.899082569,1.105286151,0.773700306,0.825280326,0.902650357,0.945633707,1.547400612,0,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,37.65866569,18.76980904,30.52110988,37.57363168,5.367661669,18.76980906,-0.119047619,0,0,0,2000010.429,285715.7756,10.15606407,0,11.89,12.11009426,-0.170505143,0.049799553,5.07776577,7.013266965,6,22,22,22,6,0,0,0,0,0,17.491312,3.46525469,3.158726067,2.704532478,2.18392002,1.697255367,1.33214981,1.12257211,0.083923071,1.904635069,1.708882991,1.416594417,1.091617933,0.812004896,0.62252576,0.520687981,0.083923071,3.495528058,3.197240258,2.75626044,2.253323613,1.787626596,1.442861713,1.247239295,0.270913902,1.841598162,1.631733601,1.320892568,0.975709625,0.676946685,0.473240653,0.363561368,0.270913902,3.627546596,3.364701014,2.978659738,2.546003084,2.15897414,1.884943921,1.734531854,0.943918427,1.65367868,1.397661851,1.021801198,0.601565151,0.227675426,0.035334264,0.179116682,0.943918427,3.517773193,3.225530555,2.794149646,2.303876515,1.852911093,1.522049418,1.335706358,0.399277246,1.801239377,1.581957035,1.258390945,0.899064477,0.586652857,0.37260324,0.257148129,0.399277246,3.691164299,3.444790866,3.083065776,2.679762813,2.323440621,2.074844725,1.939585081,1.207644823,1.594270913,1.322620074,0.923248485,0.474040332,0.069155742,0.220196471,0.379998654,1.207644823,3.521026622,3.299285969,2.904733882,2.41404363,1.958983634,1.637300666,1.463136585,0.608695652,1.780694793,1.496988767,1.127308204,0.758536836,0.446581942,0.225539445,0.101991436,0.608695652,0,0,0,0,0,2,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.9767,34.433,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,4.491388889,0,7.008611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.245694444,0,1.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.245694444,0,1.4375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.5,1.642857143,0.2,2.245694444,0.2,1.361111111,5.318430556,0.138888889,0.245694444,0.982777778,0.138888889,0.245694444,0.982777778,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.28571,0,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,6.60412,0.94345,6.60412,0,0,3.41421,0.48774,3.41421,0,0,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6,0,0,0,0,0,0,1,0.886540893,1.149229762,2.024260067,2.392277173,1.970124741,1.487625831,20.39044053,26.43228451,46.55798153,55.02237498,45.31286904,34.21539412,0.195982923,0.254054166,0.447492504,0.528848106,0.435525093,0.328861602,3.637021063,3.374332195,2.499301889,2.131284783,2.553437215,3.035936125,0.19880132,0.257707677,0.453927819,0.536453382,0.441788306,0.333590905,6.634953582,9.787220006,12.98928415,12.76511603,9.706424984,9.691482087,27.76507516,23.86271421,22.5116657,23.21412863,26.97884693,20.92601136,7,6,6,7,0,7,2.23,1.0949,0.166666667,3.838519496,0,0,5.676240019,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,3.267,5,4,3,2,1,0,0,0,0,28,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.666666667,6,1,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,0,129.6283511,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,100.1252005,4.353269587,12.83378878,1.833398397,0,0,0,56,4,4.323,22,1.224818182,2.112194041,2.841335948,3.57056513,4.901353848,5.894083671,7.18179224,8.149714457,0,0,69.72220731,59.4034463,56.14714166,69.68256275,77.4135141,72.63702886,36.17614296,8.28063147,0,0,268.787596,293.8125543,294.6988841,381.0530723,458.6594575,495.7779935,441.0536558,253.3236414,0,0,8.893455721,14.96836856,19.77594354,24.92903541,34.02469501,40.80037509,49.28997252,54.75356319,0,0,2.059771149,2.528547342,2.688241382,3.483879659,4.351666613,4.900679746,4.934891604,3.623468219,0,0,176.6115071,330.8158767,472.8171045,587.799899,821.6825129,996.274231,1245.251567,1507.026062,0,0,2.404363636,3.343460118,3.971212193,5.170836748,6.894778863,8.422072308,9.785607939,8.149714457,0,0,0.427911136,0.536688141,0.577785236,0.748373511,0.941058902,1.066458971,1.093700566,0.83453076,0,0,403.8379912,161.7305232,9.914490227,160.4510197,-64.25801421,-9.619009784,243.3869714,225.9885374,19.53350001,0.715658082,0.286609379,0.01756988,0.284341918,-0.113874297,-0.017046247,227.8813406,91.26275698,5.594637884,90.54074723,-36.26009128,-5.427901517,0.065916805,0.162717927,1.184070371,10.80765182,564.2890109,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,555.455313,23.56809948,8.220212446,2.458826014,2.458826014,681.77975,661.1727766,43.99483578,1.031167305,15.49681316,15.02841788,4.121686851,4.466158665,8.836778877,0.978608361,4.462408855,5.691183974,2.410082022,20.92741689,9.491973299,0.143514454,3.567246355,8.617290698,8.492784039,1.178950372,2.189116413,7.561028204,4.322884441,0.860264763,2.474850258,0.241081057,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.374499053,5.690851875,0.1631294,5.10903895,0.069892868,0.001194782,0.522969464,0.335029777,3.085440249,0.045373355,0.018276572,0.341267531,0.148779883,0.859561027,0.112752628,0.00169802,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.208928595,5.690874696,0.552386831,6.296414229,0.704467803,0.010905081,1.144317192,1.33728646,3.840405446,0.181768058,0.166693326,1.269832107,0.621296789,0.859696005,0.426540802,0.017694156,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,4.212149946,5.691147735,2.24797607,19.23681457,8.459270626,0.127959831,3.380858771,7.866748499,8.038360349,1.075948388,1.951964785,6.926186272,3.933091809,0.860218614,2.270681911,0.214798927,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,1.781738316,5.690903714,0.840204222,7.717671634,1.522717158,0.023313396,1.570868987,2.229683483,4.462228045,0.303603996,0.356078693,2.069126671,1.058348264,0.859791238,0.691937989,0.038433908,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,5.389004952,5.691336212,3.038161082,28.00697447,13.83323495,0.208874705,4.257377412,11.67269582,10.31541047,1.598476551,3.185555154,10.13053264,5.918549787,0.860439114,3.298422411,0.351593848,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,2.790059979,5.271422266,1.29341061,10.77414828,3.524579563,0.053505869,2.220055489,3.853858754,5.833898592,0.526139591,0.816636886,4.126991507,1.890031116,1.274359293,1.376346639,0.089323358,0.051622884,5.85E-20,1.28E-59,5.38E-121,4.37E-204,0.00E+00,0,0,0,0,0,0,0,0,7.486988036,0.764237729,0.504484187,0.855097768,0.087284496,0.561084185,0.570990352,0.608676381,8.755709952,9.884451656,21.52673877,0.782646652,1.740750917,6.486479406,0.323050456,0.116720337,0.936506655,0.046641465,0.421145182,0.102026394,0.0325825,6.926250199,2.890270753,10.06110377,0.904759983,0.555754076,6.900889174,0.505789825,0.277331773,0.898084266,0.065823675,0.476676624,0.250099025,0.183946102,7.684010772,5.544506943,14.1965164,0.847126399,0.91072175,7.463868768,0.754042988,0.495523928,0.856593087,0.086537964,0.557624361,0.55585822,0.587246714,8.713435684,9.700249819,21.20253277,0.78488963,1.700729296,7.078157472,0.583958583,0.346035065,0.883869119,0.072920525,0.501480661,0.333377214,0.28637266,8.00815112,6.784711634,16.22314707,0.825803678,1.121230536,7.558866057,0.795933276,0.532341716,0.850539675,0.089560104,0.571909155,0.619334317,0.677754382,8.887141048,10.46396123,22.55385797,0.775809512,1.868997853,7.493406288,0.755152712,0.496709602,0.856852617,0.086349859,0.56204658,0.557495536,0.590060367,8.745268601,9.755804536,21.31178691,0.785278926,1.709602483 +UMLMON0078,L,Heptane,CCCCCCC,8900,,"Sandia, UML",[1],C7H16,PubChem,,0,0,-1.44,2.0736,14.558,15.46793,0,0,15,5,10,0,5,0,0,0,0,0,0,0,0,0,731.481245,842.391485,968.542685,262.46304,20.32128,0,0,0,0,2428.421953,3264.950672,4567.735558,2916.407216,621.6748886,0,0,0,0,104.88722,108.8789,213.64754,276.72192,134.36928,0,0,0,0,18.39062905,25.0799431,38.43845072,31.1631443,8.892258097,0,0,0,0,2483.148301,2165.197258,4621.010995,6760.803995,3698.35304,0,0,0,0,21.25,26.25,46.25,50,20,0,0,0,0,48.76541633,56.15943233,32.28475617,6.561576,1.016064,0,0,0,0,161.8947969,217.6633782,152.2578519,72.9101804,31.08374443,0,0,0,0,6.992481333,7.258593333,7.121584667,6.918048,6.718464,0,0,0,0,1.226041937,1.671996207,1.281281691,0.779078607,0.444612905,0,0,0,0,165.54322,144.3464838,154.0336998,169.0200999,184.917652,0,0,0,0,1.416666667,1.75,1.541666667,1.25,1,0,0,0,0,0.020906774,2.17E-18,-0.010453387,-0.013937849,0.013937849,0,0,0,0,403.5533633,7.82E-14,-201.7766817,-269.0355756,269.0355756,0,0,0,0,750.4247115,2.42E-13,-375.2123557,-500.283141,500.283141,0,0,0,0,0.079053333,1.13E-15,-0.039526667,-0.052702222,0.052702222,0,0,0,0,3.354747616,-1.33E-15,-1.677373808,-2.236498411,2.236498411,0,0,0,0,18.22304229,5.37E-14,-9.111521147,-12.14869486,12.14869486,0,0,0,0,0.833333333,-2.91E-16,-0.416666667,-0.555555556,0.555555556,0,0,0,0,0.001393785,1.45E-19,-3.48E-04,-3.48E-04,6.97E-04,0,0,0,0,26.90355756,5.21E-15,-6.725889389,-6.725889389,13.45177878,0,0,0,0,50.0283141,1.61E-14,-12.50707852,-12.50707852,25.01415705,0,0,0,0,0.005270222,7.53E-17,-0.001317556,-0.001317556,0.002635111,0,0,0,0,0.223649841,-8.88E-17,-0.05591246,-0.05591246,0.111824921,0,0,0,0,1.214869486,3.58E-15,-0.303717372,-0.303717372,0.607434743,0,0,0,0,0.055555556,-1.94E-17,-0.013888889,-0.013888889,0.027777778,0,0,0,0,1.04E-16,-0.25,-0.25,0.5,0,0,0,0,1.94E-16,-0.25,-0.25,0.5,0,0,0,0,3.22E-16,-0.25,-0.25,0.5,0,0,0,0,1.43E-14,-0.25,-0.25,0.5,0,0,0,0,-3.97E-16,-0.25,-0.25,0.5,0,0,0,0,2.95E-15,-0.25,-0.25,0.5,0,0,0,0,-3.50E-16,-0.25,-0.25,0.5,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,0,11.9,12.10006119,-0.152797442,0.047263744,6.091,6.291061186,5,15,15,15,5,0,0,0,0,0,10.93207,3.573186822,2.459820995,2.459820995,1.19006016,1.19006016,0.083923071,0.083923071,0.083923071,1.724171079,1.724171079,0.757863935,0.757863935,0.489263751,0.083923071,0.083923071,0.083923071,3.600648477,2.510897621,2.510897621,1.30885592,1.30885592,0.270913902,0.270913902,0.270913902,1.655976007,1.655976007,0.62194973,0.62194973,0.329734575,0.270913902,0.270913902,0.270913902,3.72034929,2.734801489,2.734801489,1.778468089,1.778468089,0.943918427,0.943918427,0.943918427,1.452583651,1.452583651,0.172849073,0.172849073,0.223569137,0.943918427,0.943918427,0.943918427,3.620820476,2.548571849,2.548571849,1.39352899,1.39352899,0.399277246,0.399277246,0.399277246,1.612285733,1.612285733,0.531260614,0.531260614,0.22154323,0.399277246,0.399277246,0.399277246,3.778078745,2.841861735,2.841861735,1.978039144,1.978039144,1.207644823,1.207644823,1.207644823,1.38842831,1.38842831,0.016182923,0.016182923,0.429566078,1.207644823,1.207644823,1.207644823,3.666666667,2.634421018,2.634421018,1.577575475,1.577575475,0.666666667,0.666666667,0.666666667,1.528942797,1.528942797,0.349720363,0.349720363,0,0.666666667,0.666666667,0.666666667,0,0,0,0,0,0,5,0,0,0,0,0.176776695,0,0,0,0,0.176776695,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.535533906,2.5,1.767766953,1.25,0.883883476,0,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0,0,0,3.535533906,2.5,1.767766953,1.25,0.883883476,0,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0,0,0,7.709139019,14.43918427,13.62745098,13.8,8.992772455,115.1412754,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.9505,23.085,14,18.61803399,28,5.6,14.000001,1.11E-16,2.22E-17,-18.36840028,19.22543377,3.845086753,1.478117039,20,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,7.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.5,1.5,0.2,1.5,0.2,1.5,3.615,0,0,0,0,0,0,2.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0,0,0,2.5,0.5,2.5,0.5,0,0,-2.5,-0.5,0,0,3.75,0.75,3.75,0,0,2.5,0.5,2.5,0,0,-0.086,-0.0172,0,0,0.333333333,5,0,0,0,0,0,0,1,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,13.77443751,13.77443751,13.77443751,13.77443751,13.77443751,13.77443751,0.235045188,0.235045188,0.235045188,0.235045188,0.235045188,0.235045188,2.988594762,2.988594762,2.988594762,2.988594762,2.988594762,2.988594762,0.235045188,0.235045188,0.235045188,0.235045188,0.235045188,0.235045188,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,19.74937501,19.74937501,19.74937501,19.74937501,19.74937501,19.74937501,3.2,1.44,0.64,0,0,0,2.01,0.7045,0,0,0,0,7.071067812,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.071,0.064,0.277,0.248,2.625,5,5,5,0,0,0,0,0,0,25,1.791759469,1.791759469,1.791759469,1.791759469,0,0,0,0,0,0,3.258096538,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,8.618033989,12,2.4,6.006204681,0,0,0,13.96759521,2.793519041,1.318370009,0,82.67992313,3.321928095,3.044522438,3.713572067,4.394449155,5.081404365,5.771441123,6.463029457,7.155396302,7.848153086,8.541105011,62.013073,2.397895273,0,3.433987204,2.397895273,4.615120517,4.262679877,5.860786223,5.888877958,7.147559271,7.6989362,70.07825032,4.671883355,9.6875,1.9375,0,0,0,15,0,2.845,20,1.380498507,2.484266497,3.279932063,4.048814736,0,0,0,0,0,0,101.0958852,89.89445501,22.7176085,4.113854896,0,0,0,0,0,0,355.5494789,407.3068427,248.1617826,125.8523225,0,0,0,0,0,0,10.09589115,17.76333594,22.73377477,27.20181605,0,0,0,0,0,0,2.606958365,3.364602219,2.627464214,1.800155281,0,0,0,0,0,0,194.5749375,377.4425534,550.9455779,748.6973145,0,0,0,0,0,0,2.549621641,3.933472861,4.153836385,4.048814736,0,0,0,0,0,0,0.53723541,0.708711425,0.576363513,0.414598629,0,0,0,0,0,0,251.4392006,66.37673319,6.637673319,48.99699897,-12.93458108,-2.586916217,202.4422017,79.31131428,9.224589536,0.836913797,0.220934539,0.022093454,0.163086203,-0.043052672,-0.008610534,75.54143787,19.94197346,1.994197346,14.72047216,-3.886016384,-0.777203277,0.1,0.2,2.48873043,1.018936307,300.4361996,0,1,0,216.1789932,14.70302667,6.001656887,313.0493541,17.69320079,6.790018184,307.0246732,17.52211954,6.74617743,1.332033716,1.328393467,185.6462196,125.2829221,90.98938609,1.481815849,2.040306321,1.376896004,3.393045837,3.649051612,5.316433721,0.456935743,2.789005534,1.595883903,1.493127232,7.63514318,8.374240208,9.286193548,3.940990778,2.489683679,0.639207697,0.034401405,5.09E-21,1.45E-61,8.01E-124,8.51E-208,1.74427113153E-313,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234061908,1.595673376,0.710359182,2.273149056,0.368275307,1.229888338,0.098832744,0.058791918,0.004501992,2.42E-04,3.59E-23,1.02E-63,5.64E-126,6.00E-210,1.22850442E-315,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.755580372,1.595687837,0.845719232,3.105905253,1.144690634,2.080408281,0.471854478,0.28872558,0.046914228,0.002524868,3.74E-22,1.07E-62,5.88E-125,6.25E-209,1.2801963237E-314,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.632593716,1.595860928,1.436567888,7.214290405,7.580669175,8.512121333,3.560291888,2.246671137,0.56952255,0.030651032,4.54E-21,1.30E-61,7.14E-124,7.58E-208,1.5541141751E-313,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.113586447,1.59570623,0.945890347,3.755282631,1.932365913,2.900001878,0.850029248,0.525626878,0.101903973,0.005484352,8.12E-22,2.32E-62,1.28E-124,1.36E-208,2.7807574837E-314,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368128095,1.59598042,1.712349782,9.298506628,11.65702306,12.47114245,5.515734397,3.496401189,0.932224353,0.050171216,7.43E-21,2.12E-61,1.17E-123,1.24E-207,2.54385551597E-313,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.859337023,1.595766675,1.173507762,5.311140406,4.23894235,5.223522694,1.956997273,1.225779399,0.28409231,0.015289513,2.26E-21,6.47E-62,3.56E-124,3.78E-208,7.75231614E-314,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.168440624,1.616749416,0.679760138,0.485658414,0.362097975,0.436060584,0.407952779,0.458130378,4.464950179,6.078846418,12.92691676,0.271634584,1.302143741,1.569985278,1.08064732,0.218458841,0.547206428,0.376651405,0.228852413,0.1821441,0.046783153,2.869091439,2.275654509,5.515383302,0.385786749,0.457779666,1.807641563,1.293555632,0.401717536,0.516039271,0.369279795,0.303219962,0.261047213,0.15897384,3.502914731,3.58409022,8.02633501,0.327978598,0.723241014,2.15362163,1.603475674,0.668343909,0.486645631,0.362331256,0.430130979,0.401274563,0.442764086,4.425441213,5.964312992,12.69773279,0.27346533,1.274169628,1.913588372,1.388463751,0.483383737,0.505513353,0.366790986,0.339734522,0.300792682,0.230643131,3.78543586,4.253106383,9.322867738,0.308456508,0.871170335,2.214835801,1.658306378,0.715500024,0.482677817,0.361393699,0.454887229,0.429218021,0.507951058,4.588642203,6.444109656,13.66069496,0.266107273,1.392056308,2.15753944,1.606984959,0.671362133,0.486382919,0.362269176,0.43169469,0.403034764,0.446800856,4.435886533,5.994492562,12.75808119,0.272978143,1.281530309 +UMLMON0079,L,Cyclopentane,C1CCCC1,9253,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C5H10,PubChem,,85,0,-2.016,4.064256,20.3812,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1355.959759,1377.297103,367.448256,28.449792,0,0,0,3399.790734,4570.930941,6394.829782,7047.588415,4082.970102,870.3448441,0,0,0,146.842108,152.43046,299.106556,440.1943,387.410688,188.116992,0,0,0,25.74688067,35.11192034,53.81383101,63.15070202,43.62840202,12.44916134,0,0,0,3476.407621,3031.276161,6469.415393,10352.68609,9465.125593,5177.694257,0,0,0,29.75,36.75,64.75,85.75,70,28,0,0,0,48.76541633,56.15943233,32.28475617,21.86185878,6.561576,1.016064,0,0,0,161.8947969,217.6633782,152.2578519,111.8664828,72.9101804,31.08374443,0,0,0,6.992481333,7.258593333,7.121584667,6.987211111,6.918048,6.718464,0,0,0,1.226041937,1.671996207,1.281281691,1.002392095,0.779078607,0.444612905,0,0,0,165.54322,144.3464838,154.0336998,164.3283506,169.0200999,184.917652,0,0,0,1.416666667,1.75,1.541666667,1.361111111,1.25,1,0,0,0,0.029269484,2.17E-18,-0.014634742,2.17E-19,-0.019512989,0.019512989,0,0,0,564.9747087,5.90E-13,-282.4873543,-1.60E-13,-376.6498058,376.6498058,0,0,0,1050.594596,0,-525.297298,1.42E-13,-700.3963974,700.3963974,0,0,0,0.110674667,1.58E-15,-0.055337333,1.30E-17,-0.073783111,0.073783111,0,0,0,4.696646663,7.55E-15,-2.348323331,2.08E-15,-3.131097775,3.131097775,0,0,0,25.51225921,2.26E-14,-12.75612961,6.44E-15,-17.00817281,17.00817281,0,0,0,1.166666667,-4.02E-16,-0.583333333,-3.75E-16,-0.777777778,0.777777778,0,0,0,0.001393785,1.03E-19,-3.48E-04,3.44E-21,-3.48E-04,6.97E-04,0,0,0,26.90355756,2.81E-14,-6.725889389,-2.54E-15,-6.725889389,13.45177878,0,0,0,50.0283141,0,-12.50707852,2.26E-15,-12.50707852,25.01415705,0,0,0,0.005270222,7.53E-17,-0.001317556,2.07E-19,-0.001317556,0.002635111,0,0,0,0.223649841,3.60E-16,-0.05591246,3.30E-17,-0.05591246,0.111824921,0,0,0,1.214869486,1.08E-15,-0.303717372,1.02E-16,-0.303717372,0.607434743,0,0,0,0.055555556,-1.92E-17,-0.013888889,-5.95E-18,-0.013888889,0.027777778,0,0,0,7.41E-17,-0.25,2.47E-18,-0.25,0.5,0,0,0,1.04E-15,-0.25,-9.43E-17,-0.25,0.5,0,0,0,0,-0.25,4.51E-17,-0.25,0.5,0,0,0,1.43E-14,-0.25,3.92E-17,-0.25,0.5,0,0,0,1.61E-15,-0.25,1.48E-16,-0.25,0.5,0,0,0,8.88E-16,-0.25,8.41E-17,-0.25,0.5,0,0,0,-3.45E-16,-0.25,-1.07E-16,-0.25,0.5,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,0,11.9,12.10010405,-0.152797442,0.047306612,6.8165,7.016604054,7,21,21,21,7,0,0,0,0,0,15.304898,3.573186822,2.945817421,2.945817421,1.753131121,1.753131121,1.122946561,1.122946561,0.083923071,1.840961226,1.840961226,1.114249919,1.114249919,0.614914746,0.614914746,0.489263751,0.083923071,3.600648477,2.984115995,2.984115995,1.834262961,1.834262961,1.247019953,1.247019953,0.270913902,1.778043787,1.778043787,1.008390927,1.008390927,0.466222489,0.466222489,0.329734575,0.270913902,3.72034929,3.152527083,3.152527083,2.176961494,2.176961494,1.732917972,1.732917972,0.943918427,1.590937281,1.590937281,0.678084935,0.678084935,0.038370948,0.038370948,0.223569137,0.943918427,3.620820476,3.012359315,3.012359315,1.893471859,1.893471859,1.335136272,1.335136272,0.399277246,1.737796762,1.737796762,0.939236481,0.939236481,0.366102466,0.366102466,0.22154323,0.399277246,3.778078745,3.233982116,3.233982116,2.332680125,2.332680125,1.937675008,1.937675008,1.207644823,1.531967921,1.531967921,0.57007717,0.57007717,0.22064231,0.22064231,0.429566078,1.207644823,3.666666667,3.076806853,3.076806853,2.026128512,2.026128512,1.525851121,1.525851121,0.666666667,1.661122191,1.661122191,0.804503713,0.804503713,0.163160582,0.163160582,1.78E-15,0.666666667,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.949747468,3.5,2.474873734,1.75,1.237436867,0.875,0.618718434,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0.088388348,0,4.949747468,3.5,2.474873734,1.75,1.237436867,0.875,0.618718434,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0.088388348,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.7307,32.319,30,36.69202147,60,8.571428571,30,1.00E-16,1.43E-17,-25.78731353,175.0832053,25.01188648,3.615682924,42,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,0,0,10.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.5,1.5,0.2,1.5,0.2,1.5,5.061,0,0,0,0,0,0,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0,0,0,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.41667,0.91667,6.41667,0,0,3.5,0.5,3.5,0,0,-0.086,-0.01229,0,0,0.333333333,7,0,0,0,0,0,0,1,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,19.28421252,19.28421252,19.28421252,19.28421252,19.28421252,19.28421252,0.209068641,0.209068641,0.209068641,0.209068641,0.209068641,0.209068641,3.474021589,3.474021589,3.474021589,3.474021589,3.474021589,3.474021589,0.209068641,0.209068641,0.209068641,0.209068641,0.209068641,0.209068641,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,27.64912502,27.64912502,27.64912502,27.64912502,27.64912502,27.64912502,5.142857143,3.06122449,1.959183673,0,0,0,2.23,0.9863,0,0,0,0,11.55674537,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.071,0.064,0.277,0.248,3.623,7,7,7,7,7,0,0,0,0,49,2.079441542,2.079441542,2.079441542,2.079441542,2.079441542,2.079441542,0,0,0,0,3.912023005,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,17.04891734,24,3.428571429,12.00002171,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,0,117.2718924,3.807354922,3.36729583,4.043051268,4.727387819,5.416100402,6.107022888,6.799055862,7.491645474,8.184513753,8.877521454,69.01359475,2.708050201,0,3.761200116,0,4.94875989,2.708050201,6.196444128,4.844187086,7.475905969,7.862497197,98.10955045,4.671883355,13.890625,1.984375,0,0,0,42,7,3.983,28,1.237139684,2.1277256,2.805837885,3.415636646,3.983938154,0,0,0,0,0,80.41435058,74.91635217,63.82139281,22.77902886,4.047936137,0,0,0,0,0,294.8345942,341.4884864,323.4814951,251.8032662,123.8357154,0,0,0,0,0,9.014891653,15.19149396,19.63689512,23.64274917,26.76594507,0,0,0,0,0,2.207144943,2.832423094,2.878826781,2.683188449,1.771310316,0,0,0,0,0,176.3978478,324.9720625,458.6340643,576.2589537,736.7004893,0,0,0,0,0,2.227064289,3.338157183,3.861948153,4.286093848,3.983938154,0,0,0,0,0,0.456596072,0.597124747,0.615691475,0.589311014,0.407955267,0,0,0,0,0,264.8230398,97.8738538,6.990989557,19.84409907,-7.334023703,-1.047717672,244.9789408,105.2078775,8.038707229,0.930290166,0.343818588,0.024558471,0.069709834,-0.025763507,-0.003680501,75.38641706,27.86146993,1.990104995,5.648962907,-2.087755544,-0.298250792,0.071428571,0.142857143,1.831389567,0.426803127,284.6671389,0,1,0,458.574433,21.4143511,7.711460042,594.1929381,24.37607307,8.407028029,757.7517979,27.52729187,9.116797851,1.048628695,1.03460627,244.5795166,163.9902344,135.0089725,1.491427325,1.81157972,1.214661747,3.353752729,3.525316625,5.262672839,0.492822744,4.42617716,5.257378854,8.450149804,13.39485808,9.935328749,13.88482253,5.936232225,3.884511853,3.851198768,0.003579908,2.45E-24,3.24E-67,8.25E-132,4.06E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331360145,5.186369363,0.678511001,3.615835624,1.517439649,0.561151528,0.365130626,0.02793616,0.027124308,2.52E-05,1.73E-26,2.28E-69,5.81E-134,2.86E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.096092781,5.19111491,2.209641811,4.739362343,2.373321918,2.140878135,1.266360698,0.286584195,0.2826562,2.63E-04,1.80E-25,2.38E-68,6.06E-133,2.98E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.150340161,5.249582829,7.954838391,12.48750335,9.114907176,12.66589146,5.511701894,3.46142758,3.431348767,0.003189634,2.18E-24,2.89E-67,7.35E-132,3.61E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.642170847,5.19726726,3.277112959,5.769715351,3.21691922,3.563776384,1.955085488,0.621078749,0.613967038,5.71E-04,3.91E-25,5.16E-68,1.32E-132,6.47E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.476039294,5.290159963,10.30624811,17.10487855,13.31938102,18.85585328,7.60285256,5.663312717,5.616611461,0.00522096,3.58E-24,4.72E-67,1.20E-131,5.92E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.83488047,5.217650114,5.543592927,8.593299137,5.643567533,7.412564045,3.572888111,1.728118186,1.711643897,0.00159107,1.09E-24,1.44E-67,3.67E-132,1.80E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.9039582,1.595267167,0.755762437,0.447465019,0.374916978,0.471037561,0.48157632,0.485494334,4.254987804,5.681905094,12.23238678,0.233572995,1.438108215,1.394088407,1.098686704,0.277259512,0.503274723,0.396632842,0.252442913,0.228292772,0.065242853,2.770034622,2.222812007,5.417515707,0.349861347,0.545978538,1.596585012,1.295914909,0.467309904,0.475201007,0.385710792,0.331152031,0.317685732,0.185454931,3.359809826,3.420732184,7.74742411,0.291367699,0.834292693,1.891334561,1.582973479,0.743916507,0.448372186,0.375270084,0.464807718,0.474175608,0.470377615,4.218224547,5.578527552,12.02398787,0.235463404,1.409360941,1.686849169,1.383826508,0.552021233,0.465633535,0.381987934,0.369678196,0.362287165,0.258854555,3.622696909,4.029384767,8.94066848,0.271432204,0.990819916,1.943479664,1.633755348,0.792848734,0.444723666,0.373849895,0.49081026,0.505117223,0.534369761,4.370083746,6.011376545,12.89889004,0.227860341,1.530297243,1.894671976,1.586223667,0.747048318,0.448130816,0.375176133,0.466450714,0.476126614,0.474350857,4.227943961,5.605770765,12.07887397,0.234960423,1.416928185 +UMLMON0080,L,Cycloheptane,C1CCCCCC1,9265,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C7H14,PubChem,,39.7,0,-2.304,5.308416,23.2928,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1549.668296,1574.053832,996.997348,226.227456,16.257024,0,0,3885.475125,5223.921076,7308.376893,8054.38676,6360.319153,2830.465684,497.3399109,0,0,167.819552,174.20624,341.836064,503.0792,472.917136,328.87296,107.495424,0,0,29.42500648,40.12790896,61.50152116,72.17223088,61.01663088,32.04432192,7.113806478,0,0,3973.037281,3464.315612,7393.617592,11831.64124,11324.46382,8367.325628,2958.682432,0,0,34,42,74,98,89,56,16,0,0,48.76541633,56.15943233,32.28475617,21.86185878,14.66172571,4.713072,1.016064,0,0,161.8947969,217.6633782,152.2578519,111.8664828,93.53410519,58.96803508,31.08374443,0,0,6.992481333,7.258593333,7.121584667,6.987211111,6.954663765,6.85152,6.718464,0,0,1.226041937,1.671996207,1.281281691,1.002392095,0.897303395,0.66759004,0.444612905,0,0,165.54322,144.3464838,154.0336998,164.3283506,166.5362326,174.3192839,184.917652,0,0,1.416666667,1.75,1.541666667,1.361111111,1.308823529,1.166666667,1,0,0,0.033450839,1.73E-18,-0.016725419,-1.08E-18,-0.01115028,-4.55E-18,0.01115028,0,0,645.6853813,6.75E-13,-322.8426907,-1.60E-13,-215.2284604,-8.42E-13,215.2284604,0,0,1200.679538,0,-600.3397692,1.42E-13,-400.2265128,1.42E-13,400.2265128,0,0,0.126485333,2.94E-15,-0.063242667,3.90E-17,-0.042161778,-2.88E-15,0.042161778,0,0,5.367596186,1.24E-14,-2.683798093,-4.72E-16,-1.789198729,-1.25E-14,1.789198729,0,0,29.15686767,-1.14E-13,-14.57843384,6.66E-16,-9.718955891,1.14E-13,9.718955891,0,0,1.333333333,-4.58E-16,-0.666666667,-4.86E-16,-0.444444444,1.80E-16,0.444444444,0,0,0.001393785,7.23E-20,-3.48E-04,-1.51E-20,-1.64E-04,-9.49E-20,6.97E-04,0,0,26.90355756,2.81E-14,-6.725889389,-2.22E-15,-3.165124418,-1.75E-14,13.45177878,0,0,50.0283141,0,-12.50707852,1.97E-15,-5.885684011,2.96E-15,25.01415705,0,0,0.005270222,1.22E-16,-0.001317556,5.42E-19,-6.20E-04,-5.99E-17,0.002635111,0,0,0.223649841,5.16E-16,-0.05591246,-6.55E-18,-0.026311746,-2.60E-16,0.111824921,0,0,1.214869486,-4.74E-15,-0.303717372,9.25E-18,-0.142925822,2.38E-15,0.607434743,0,0,0.055555556,-1.91E-17,-0.013888889,-6.75E-18,-0.006535948,3.76E-18,0.027777778,0,0,5.19E-17,-0.25,-1.08E-17,-0.117647059,-6.81E-17,0.5,0,0,1.05E-15,-0.25,-8.25E-17,-0.117647059,-6.52E-16,0.5,0,0,0,-0.25,3.95E-17,-0.117647059,5.92E-17,0.5,0,0,2.32E-14,-0.25,1.03E-16,-0.117647059,-1.14E-14,0.5,0,0,2.31E-15,-0.25,-2.93E-17,-0.117647059,-1.16E-15,0.5,0,0,-3.90E-15,-0.25,7.62E-18,-0.117647059,1.96E-15,0.5,0,0,-3.43E-16,-0.25,-1.21E-16,-0.117647059,6.77E-17,0.5,0,0,1.4375,1.4375,0.958333333,1.014705882,0.71875,0,0,0,1.4375,1.4375,0.958333333,1.014705882,0.71875,0,0,0,1.4375,1.4375,0.958333333,1.014705882,0.71875,0,0,0,1.4375,1.4375,0.958333333,1.014705882,0.71875,0,0,0,1.4375,1.4375,0.958333333,1.014705882,0.71875,0,0,0,1.4375,1.4375,0.958333333,1.014705882,0.71875,0,0,0,1.4375,1.4375,0.958333333,1.014705882,0.71875,0,0,0,32,16,22.82842712,32,4,16.00000052,5.33E-15,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,32,16,22.82842712,32,4,16.00000052,5.33E-15,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,32,16,22.82842712,32,4,16.00000052,5.33E-15,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,32,16,22.82842712,32,4,16.00000052,5.33E-15,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,32,16,22.82842712,32,4,16.00000052,5.33E-15,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,32,16,22.82842712,32,4,16.00000052,5.33E-15,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,32,16,22.82842712,32,4,16.00000052,5.33E-15,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,0,11.9,12.10012615,-0.152797442,0.047328706,6.997875,7.198001148,8,24,24,24,8,0,0,0,0,0,17.491312,3.573186822,3.081433849,3.081433849,2.028500884,2.028500884,1.270833524,1.270833524,1.056465515,1.972542445,1.601124015,1.601124015,0.944577813,0.944577813,0.583297216,0.583297216,0.489263751,3.600648477,3.116946261,3.116946261,2.095899225,2.095899225,1.383461819,1.383461819,1.185878035,1.914964133,1.526761479,1.526761479,0.824985323,0.824985323,0.431818797,0.431818797,0.329734575,3.72034929,3.272942385,3.272942385,2.386450742,2.386450742,1.833651535,1.833651535,1.687973407,1.74405498,1.303946671,1.303946671,0.442532316,0.442532316,0.085189605,0.085189605,0.223569137,3.620820476,3.143118662,3.143118662,2.145396886,2.145396886,1.464075869,1.464075869,1.27745173,1.878174485,1.479012186,1.479012186,0.746119641,0.746119641,0.329627854,0.329627854,0.22154323,3.778078745,3.348444081,3.348444081,2.521841838,2.521841838,2.026932228,2.026932228,1.897819044,1.690174221,1.233500967,1.233500967,0.314197015,0.314197015,0.273414305,0.273414305,0.429566078,3.666666667,3.202811926,3.202811926,2.257333958,2.257333958,1.640186762,1.640186762,1.474809634,1.808142967,1.387733658,1.387733658,0.590667291,0.590667291,0.121931697,0.121931697,1.77E-15,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.656854249,4,2.828427125,2,1.414213562,1,0.707106781,0.5,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0.088388348,0.0625,5.656854249,4,2.828427125,2,1.414213562,1,0.707106781,0.5,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0.088388348,0.0625,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.1208,36.936,40,48,80,10,40,3.33E-16,4.16E-17,-28.51055062,26.73718884,3.342148605,2.628844349,64,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,1.5,0.2,1.5,0.2,1.5,5.784,0,0,0,0,0,0,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0,0,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,7.83333,0.97917,7.83333,0,0,4,0.5,4,0,0,-0.086,-0.01075,0,0,0.333333333,8,0,0,0,0,0,0,1,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,22.03910002,22.03910002,22.03910002,22.03910002,22.03910002,22.03910002,0.200284263,0.200284263,0.200284263,0.200284263,0.200284263,0.200284263,3.666666667,3.666666667,3.666666667,3.666666667,3.666666667,3.666666667,0.200284263,0.200284263,0.200284263,0.200284263,0.200284263,0.200284263,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,31.59900002,31.59900002,31.59900002,31.59900002,31.59900002,31.59900002,6.125,3.9375,2.8125,0,0,0,2.34,1.1272,0,0,0,0,13.76640469,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.071,0.064,0.277,0.248,4.122,8,8,8,8,8,8,0,0,0,64,2.197224577,2.197224577,2.197224577,2.197224577,2.197224577,2.197224577,2.197224577,0,0,0,4.17438727,1,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,22.82842712,32,4,16.00000052,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,0,134.567877,4,3.496507561,4.17438727,4.859812404,5.549076085,6.240275845,6.932447892,7.625107148,8.318010278,9.01103541,72.20665989,2.833213344,0,3.891820298,0,5.081404365,0,6.357842267,0,7.685703061,8.001355026,112.1252005,4.671883355,15.9375,1.9921875,0,0,0,64,8,4.552,32,1.24369445,2.144761693,2.837412989,3.440145052,3.889620775,4.164121839,0,0,0,0,81.35996807,76.13956799,65.75272132,49.25953794,17.74057831,4.231014292,0,0,0,0,297.6106482,345.8192376,330.3207034,320.7870502,224.9020855,129.436499,0,0,0,0,9.064317968,15.31600472,19.86405408,23.93243263,26.6285269,27.97650267,0,0,0,0,2.225425528,2.864285526,2.92993763,3.088110846,2.560997967,1.851422307,0,0,0,0,177.2289551,327.3780749,463.3667738,572.2363634,679.7315415,770.0196332,0,0,0,0,2.241812512,3.369482628,3.915051955,4.509255513,4.511225897,4.164121839,0,0,0,0,0.460283128,0.603695071,0.626278291,0.668649731,0.569362897,0.426406076,0,0,0,0,288.6484858,121.9192138,7.61995086,54.8778968,-23.17930063,-2.897412579,233.770589,145.0985144,10.51736344,0.840251289,0.35490495,0.022181559,0.159748711,-0.067474587,-0.008434323,99.15837018,41.88246647,2.617654155,18.85200537,-7.962701298,-0.995337662,0.0625,0.125,1.106102413,0.33021084,343.5263826,0,1,0,509.6870498,22.57624968,7.987935199,664.6796271,25.7813814,8.727116815,888.1957202,29.80261264,9.61249718,1.13975568,1.13975568,322.7245613,209.577726,198.3087774,1.53988006,1.627384151,1.056825264,3.649119862,3.615580989,5.455465417,0.508876563,4.463237866,8.375333797,7.343761211,18.81147766,15.53925671,17.03586309,13.35806737,4.114133286,4.209239483,0.822753343,1.33E-13,4.13E-48,2.48E-104,2.88E-182,6.45E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374504896,6.800227882,0.495738643,5.852388174,3.853918419,2.138598392,0.771591999,0.153107076,0.029646023,0.005794719,9.34E-16,2.91E-50,1.75E-106,2.03E-184,4.54E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208989444,6.90548007,1.679166921,7.460788833,5.002461582,3.957340825,2.721060885,0.620870392,0.308934377,0.06038544,9.73E-15,3.03E-49,1.82E-105,2.11E-183,4.73E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212888581,8.202401138,6.848682869,17.65133687,14.38639101,15.69152228,12.36830336,3.751090172,3.750356602,0.733058416,1.18E-13,3.68E-48,2.21E-104,2.57E-182,5.74E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781870483,7.041944619,2.555212871,8.872760499,6.15809739,5.568719322,4.243311642,1.043155896,0.671046735,0.131165246,2.11E-14,6.59E-49,3.96E-105,4.59E-183,1.03E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.390213985,9.102492194,9.262932396,23.52342455,20.3045452,22.50424266,17.27163605,5.595196188,6.138780178,1.199908427,1.93E-13,6.03E-48,3.62E-104,4.20E-182,9.40E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.975307689,7.494069027,4.546489958,12.61876749,9.52526758,9.873917735,7.895267012,2.187305038,1.870773119,0.365668152,5.89E-14,1.84E-48,1.10E-104,1.28E-182,2.86E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.006707551,1.886360124,0.874493221,0.420908635,0.395665659,0.501372473,0.478849791,0.555316132,4.767560897,7.189834398,15.26767842,0.224861442,1.535538396,1.489292526,1.388789456,0.379679153,0.457152156,0.426301806,0.276914447,0.262602476,0.104306936,3.257761136,3.161061488,7.20411824,0.325180943,0.643823859,1.694422217,1.586771938,0.576210439,0.439264841,0.411357403,0.358119243,0.34136407,0.240588509,3.857404594,4.579319951,9.985959441,0.275933367,0.940071822,1.993864028,1.874074745,0.862243735,0.421519471,0.396195018,0.495013235,0.472780134,0.539822492,4.730182509,7.071756196,15.02384195,0.226571734,1.507615861,1.786026052,1.67485488,0.663809433,0.433008516,0.406055905,0.397684095,0.37950656,0.319502118,4.124690365,5.288699858,11.39906625,0.258596631,1.096692773,2.046926247,1.924813539,0.912842865,0.419058575,0.394058956,0.521545869,0.498086496,0.605247762,4.884582651,7.565525678,16.04666481,0.219676297,1.624880127,1.997259441,1.87732287,0.865482239,0.421357013,0.396054284,0.496690507,0.474381298,0.54389725,4.74006455,7.102882999,15.08807392,0.226116945,1.514969055 +UMLMON0081,L,Cyclooctane,C1CCCCCCC1,9266,Sandia values from independent api report and because source [9] does not seem 100% reliable should go with these,"Sandia, UML",[9],C8H16,PubChem,,58.2,0,2.2365,5.00193225,44.6375,22.50793,6,6,19,9,10,0,9,0,0,0,0,0,0,0,0,0,1308.537729,1419.447969,1662.600922,1416.490328,939.333869,598.313019,249.249337,41.401584,2.032128,4122.48956,4959.018279,6362.595601,6046.274113,4441.11192,3010.796674,1590.079788,499.6285713,62.16748886,135.049284,139.040964,216.959464,263.542112,239.323892,168.898476,118.229284,54.945216,13.436928,29.54622905,36.2355431,48.82202339,49.25253375,38.21010813,26.39967927,15.25415772,5.563697454,0.88922581,2990.325725,2672.374682,4393.984724,5709.269567,5456.066916,3850.317405,2831.115954,1383.955903,369.835304,48.02777778,55.16666667,73.66666667,79.33333333,67,51.5,32,12,2,68.87040679,74.70778784,55.42003073,38.28352238,27.62746674,24.92970913,14.66172571,5.175198,1.016064,216.9731347,261.0009621,212.08652,163.4128139,130.6209388,125.4498614,93.53410519,62.45357141,31.08374443,7.107857053,7.317945474,7.231982133,7.122759784,7.038938,7.0374365,6.954663765,6.868152,6.718464,1.555064687,1.907133847,1.62740078,1.331149561,1.12382671,1.099986636,0.897303395,0.695462182,0.444612905,157.3855645,140.651299,146.4661575,154.3045829,160.4725563,160.4298919,166.5362326,172.9944879,184.917652,2.527777778,2.903508772,2.455555556,2.144144144,1.970588235,2.145833333,1.882352941,1.5,1,0.068739837,-0.005161092,-0.03060296,-0.004323125,0.005390259,-0.006355469,-0.003657572,0.003770945,0.006569095,573.4705689,3.91E-13,-153.5962109,-148.2304044,-19.45104854,-74.45056509,9.390161363,45.27399229,54.32879074,1066.393011,-2.84E-14,-285.6187129,-275.6407666,-36.17005534,-138.4440049,17.46140603,84.18892192,101.0267063,0.112338947,9.37E-16,-0.030088443,-0.029037319,-0.003810327,-0.014584355,0.001839468,0.008868864,0.010642637,4.767272928,8.22E-15,-1.276848539,-1.232242476,-0.161696977,-0.618909117,0.078060609,0.376363652,0.451636383,25.89590221,5.55E-14,-6.935861527,-6.693560688,-0.878340543,-3.361924146,0.424026469,2.044413332,2.453295999,6.271929825,-0.919590643,-2.224684518,-1.434518313,1.628885811,-0.268928901,-0.314943059,-0.067713143,0.465527855,0.003617886,-2.72E-04,-0.001020099,-1.17E-04,1.59E-04,-2.65E-04,-2.15E-04,4.71E-04,0.003284548,30.18266152,2.06E-14,-5.119873695,-4.006227145,-0.572089663,-3.102106879,0.552362433,5.659249036,27.16439537,56.12594795,-1.50E-15,-9.520623763,-7.449750448,-1.063825157,-5.768500206,1.027141531,10.52361524,50.51335315,0.005912576,4.93E-17,-0.001002948,-7.85E-04,-1.12E-04,-6.08E-04,1.08E-04,0.001108608,0.005321319,0.250909101,4.32E-16,-0.042561618,-0.033303851,-0.004755793,-0.02578788,0.004591801,0.047045457,0.225818191,1.362942221,2.92E-15,-0.231195384,-0.180907046,-0.025833545,-0.140080173,0.024942733,0.255551667,1.226647999,0.33010157,-0.048399508,-0.074156151,-0.038770765,0.047908406,-0.011205371,-0.018526062,-0.008464143,0.232763927,-0.075081523,-0.281959856,-0.03229544,0.043820351,-0.07319501,-0.059468784,0.130288262,0.90786374,6.81E-16,-0.16962963,-0.132732733,-0.018954248,-0.102777778,0.018300654,0.1875,0.9,-2.67E-17,-0.16962963,-0.132732733,-0.018954248,-0.102777778,0.018300654,0.1875,0.9,8.34E-15,-0.16962963,-0.132732733,-0.018954248,-0.102777778,0.018300654,0.1875,0.9,1.72E-15,-0.16962963,-0.132732733,-0.018954248,-0.102777778,0.018300654,0.1875,0.9,2.14E-15,-0.16962963,-0.132732733,-0.018954248,-0.102777778,0.018300654,0.1875,0.9,-0.146620047,-0.224646465,-0.117451017,0.145132319,-0.033945221,-0.056122309,-0.025641026,0.705128205,1.071530675,1.177759696,0.899874365,0.846686059,1.127783519,1.124376095,0.878124806,0.009626125,1,1.14,1.078378378,0.95,1.029166667,0.894117647,0.7125,0,1,1.14,1.078378378,0.95,1.029166667,0.894117647,0.7125,0,1,1.14,1.078378378,0.95,1.029166667,0.894117647,0.7125,0,1,1.14,1.078378378,0.95,1.029166667,0.894117647,0.7125,0,1,1.14,1.078378378,0.95,1.029166667,0.894117647,0.7125,0,1.208391608,1.00979021,0.958797959,0.678794735,1.210751748,1.266145619,1.076223776,0,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,42.42855265,20.93947997,33.716216,42.30951421,4.701057135,20.93947997,-0.285185185,0.297465968,0.033051774,-1.091209907,37.38254931,4.15361659,3.2590836,0,11.85,12.15009716,-0.209893471,0.090224319,5.318792434,8.528380906,9,19,15,12,2,4,1,0,0,7,10.93207,3.785508504,3.262401811,2.659969356,2.619181914,1.925846213,0.959727413,0.941428501,0.744727258,1.981365574,1.643786832,1.141766734,1.082250302,0.778814321,0.356428861,0.310513972,0.232278944,3.797457395,3.286728087,2.686019585,2.645815032,1.988626361,1.079054691,1.053336623,0.872930974,1.949605717,1.585656155,1.060330712,1.007167592,0.667974583,0.196589796,0.150156259,0.064327708,3.851724481,3.39635421,2.812285422,2.771820215,2.260007251,1.560301238,1.517793787,1.389197011,1.862951357,1.418726352,0.839786049,0.798620231,0.312366743,0.352943724,0.396843083,0.518143877,3.806343921,3.304797075,2.705833948,2.665925019,2.034803841,1.16494069,1.134811365,0.965217967,1.930031842,1.548962927,1.009894615,0.960278991,0.594846724,0.088455115,0.041902902,0.049661526,3.87937647,3.451193644,2.88066792,2.838078588,2.386331092,1.766725721,1.721464227,1.60937037,1.837677693,1.368183706,0.778470925,0.738564276,0.192502856,0.554265436,0.594311107,0.73341648,3.770537103,3.428746661,2.71924511,2.674482089,2.051728856,1.24906029,1.195162774,1.027993705,1.968035766,1.495715701,0.942895994,0.933669113,0.554010772,0.00307107,0.036501315,0.13113769,0,0,1,6,1,0,1,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.65464793,0.637136847,0.204124145,0.244531073,0.191638319,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,5.378315178,3.080733574,1.978397839,1.22286449,0.780760001,0.445809975,0.146277398,0.058264155,0.597590575,0.34230373,0.197839784,0.111169499,0.065063333,0.037150831,0.024379566,0.014566039,11.70913902,18.43918427,17.62745098,17.8,12.99277246,142.1120539,0.616270475,0.970483383,0.927760578,0.936842105,0.683830129,7.479581784,2.34129,40.073,37.50463196,54.26687178,75.00926391,8.334362657,37.50463196,0.136437528,0.015159725,-1.792699594,35.3218919,3.924654656,3.208052645,81,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,5,0,0,1,0,7,0,0,0,0,0,0,0,0,0,1,1,0,1,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.19361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.3875,2.153194444,0,0,0.449583333,0,2.962916667,0,0,0,0,0,0,0,0,0,3.655963719,0.973055556,0,1.912037037,10.29922147,0,0,0,0,1.326388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.326388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.3875,0.422222222,0,0,0.449583333,0,0.3875,0,0,0,0,0,0,0,0,0,3.655963719,0.973055556,0,1.912037037,2.02042517,0,0,0,0,1.326388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.655963719,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.3875,0.44,0,0,0.449583333,0,0.44,0,0,0,0,0,0,0,0,0,3.655963719,0.973055556,0,1.912037037,2.098888889,0,0,0,0,1.326388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.16666667,2.018518519,0.449583333,3.655963719,0.1875,0.973055556,5.511724607,0.526944444,0.655963719,1.91037037,0.526944444,0.655963719,1.91037037,4.5,0.5,0,0,0.48947,0.7,0.43333,0.43333,0.7,0.05614,0.05614,0,0,0.71429,0,0,0.11111,0.11111,0,11.5,1.27778,4.5,0.5,7,0.77778,2.5,0.27778,0,0,3.99002,0.44334,9.45555,5.46552,0.60728,1.88478,0.20942,4.43185,2.54706,0.28301,-0.01785,-0.00198,0.06815,0.00757,0.315789474,9,0,0,0,0,0,0,0.111111111,0.998000884,2.268472752,3.070847094,3.576617645,3.826874882,3.826874882,18.96201679,43.10098228,58.34609478,67.95573525,72.71062276,72.71062276,0.234938304,0.534018705,0.722904777,0.841967673,0.900880458,0.900880458,3.24992663,1.979454762,1.17708042,0.671309869,0.421052632,0.421052632,0.220622795,0.501479315,0.678855982,0.790664012,0.84598706,0.84598706,6.618775012,17.68782693,21.30512694,24.5657265,24.817942,24.817942,32.44785067,25.45838126,21.16220865,17.02910309,16.43842401,16.43842401,7.111111111,3.92,2.380165289,3,6,3,2.45,1.0961,0,2.085481947,0.333333333,0,9.563073858,4.445544946,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.156,0.16,0.593,0.791,4.311,10,11,12,12,6,4,2,0,0,75,2.63905733,3.020424886,3.425889994,3.884137802,4.282724121,3.684180933,3.595598464,3.446011397,0,0,5.690148283,3.9325,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.222222222,2,0.222222222,0,3,6,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.04,0,0,0,0,0.111111111,0.044444444,0.0234375,0.030222222,0.030092593,0.04,0,0,0,0,0.27930787,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,0,130.4180268,4.169925001,3.663561646,4.394449155,5.153291594,5.905361848,6.673297968,7.430707083,8.200562797,8.959440144,9.729669736,78.11034197,2.944438979,0,4.077537444,0,5.433722004,0,6.886531643,0,8.379997952,8.639410824,118.0782503,6.214644754,17.70058553,1.966731726,0,0,0,94,8,3.33,38,1.234384407,2.199485521,3.021962295,3.841739795,4.795809984,5.631663304,6.823369844,7.891858252,0,0,101.3289235,130.3824571,121.8330223,117.9230695,130.6964617,89.8042312,35.98668825,8.018633063,0,0,343.462572,487.6086729,512.7423441,535.883529,632.1279577,557.4891006,431.2303933,245.308505,0,0,9.062311056,15.94197313,21.57311859,27.12064441,33.81400411,39.27660755,46.88821296,53.02116556,0,0,2.469633901,3.698910925,4.142314705,4.526655884,5.457429068,5.271603385,4.786070569,3.508822022,0,0,171.802727,319.7942963,462.7398801,610.7971643,764.8818916,929.3463435,1178.472046,1459.343898,0,0,3.682106475,5.523120587,6.620866267,7.876871244,10.62566589,11.07458266,10.3534033,7.891858252,0,0,0.507053598,0.767340061,0.869811027,0.958915976,1.160095518,1.137905306,1.05916583,0.808126285,0,0,249.8685352,135.8724953,13.78947825,109.9759342,-59.80226598,-7.857726972,139.892601,195.6747613,21.64720522,0.694379257,0.377586727,0.038320662,0.305620743,-0.166189204,-0.021836453,89.91381046,48.89296599,4.962067482,39.57423167,-21.51951467,-2.827559593,0.114087926,0.188166619,2.869627232,4.710398785,359.8444694,0,1,0,685.4526174,26.18115004,8.817100947,784.0214766,28.00038351,9.220956781,1114.252481,33.38042062,10.36719347,2.139680182,2.139680182,585.5984553,519.1329616,109.9729061,1.128031735,5.324933898,4.720553273,4.140590823,4.557162436,7.912267499,0.736226788,3.442403505,2.942086905,4.360877271,9.779856507,3.936675562,4.345255588,2.951605387,7.067741441,4.642632662,4.814938657,1.157397363,0.611217223,0.666403773,0.416040123,0.654715896,1.00E-15,4.13E-52,3.30E-110,5.10E-190,1.52E-291,0,0,0,0,0,0,0,0,0,0,0.289017388,2.942043843,0.33122095,3.916771932,1.043520389,1.163021309,0.265384927,1.170937111,0.516843861,1.071927453,0.168419125,0.051597864,0.029924236,0.003644965,0.004611218,7.06E-18,2.91E-54,2.33E-112,3.59E-192,1.07E-293,0,0,0,0,0,0,0,0,0,0,0.932690722,2.942046922,1.091482971,4.493263288,1.333307376,1.751870912,0.775502742,2.068108481,1.130623272,1.535988715,0.369713883,0.165709778,0.113732815,0.032371349,0.048052443,7.36E-17,3.03E-53,2.42E-111,3.74E-191,1.11E-292,0,0,0,0,0,0,0,0,0,0,3.249355466,2.942082249,4.09215315,9.201484899,3.653157039,4.128963501,2.773644045,6.59831655,4.309260827,4.479675762,1.096648777,0.576915866,0.611126597,0.371176415,0.583340076,8.93E-16,3.68E-52,2.94E-110,4.54E-190,1.35E-291,0,0,0,0,0,0,0,0,0,0,1.374552287,2.942050731,1.631870269,5.073183236,1.621541204,2.17412443,1.137024125,2.774992352,1.619774952,1.943618672,0.508067682,0.244079163,0.184955928,0.068556034,0.104376326,1.60E-16,6.58E-53,5.27E-111,8.12E-191,2.42E-292,0,0,0,0,0,0,0,0,0,0,4.157173499,2.942106441,5.380856795,12.17046136,5.107228105,5.170474473,3.625858963,8.928920961,5.968694035,6.176755764,1.382553717,0.738267238,0.88959173,0.60442407,0.954841603,1.46E-15,6.02E-52,4.82E-110,7.43E-190,2.21E-291,0,0,0,0,0,0,0,0,0,0,1.79836366,2.254610588,2.03558746,5.033947587,1.869686818,2.320304126,1.617580705,3.149159246,2.004972061,2.719386709,0.64664148,0.310430196,0.244191593,0.106673987,0.160689467,2.46E-16,1.01E-52,8.11E-111,1.25E-190,3.72E-292,0,0,0,0,0,0,0,0,0,0,5.478788136,1.382040338,0.462242758,0.748154423,0.188724142,0.51782695,0.39368805,0.308351738,7.323071232,10.74327449,21.56640453,0.622231635,1.219866738,4.262891747,0.747061917,0.184194559,0.820710454,0.143827609,0.31303834,0.113768186,0.048736351,5.194148223,4.107450286,9.888192621,0.731065681,0.475542877,4.665117196,0.957031816,0.277141824,0.790792881,0.162228282,0.375028326,0.187436701,0.110887275,5.899290837,6.022798216,13.15943462,0.686189321,0.673352302,5.439005174,1.361260992,0.45325979,0.749842933,0.187668866,0.510303049,0.381820822,0.296548443,7.253525956,10.48619279,21.09561144,0.624764399,1.188672314,4.874432248,1.066355445,0.325073196,0.777934961,0.170184986,0.409536992,0.233170755,0.152700242,6.265860888,7.129068207,15.0846197,0.666902442,0.795407989,5.607678822,1.449359449,0.491307876,0.742901652,0.192010199,0.542586268,0.433395294,0.348068293,7.548346147,11.59472077,23.13619246,0.614352478,1.324049855,5.467914609,1.358011147,0.451826494,0.751319146,0.186597606,0.515668066,0.379893364,0.295099687,7.27775225,10.50962309,21.142408,0.62697872,1.190661116 +UMLMON0082,L,2-propenyl benzene,C=CCC1=CC=CC=C1,9309,"Sandia values from independent API report, going with sandia values until MON from UML is confirmed, then can readjust; API report vals seem solid, we'll go with those","Sandia, UML",[1],C9H10,UML,,100.1,0,2.1982,4.83208324,24.6289,16.801516,0,0,17,5,12,0,5,0,0,0,0,0,0,0,0,0,733.513373,722.34154,1023.06255,435.855168,54.867456,0,0,0,0,2490.589442,3070.907003,4290.94574,4130.518189,1678.522199,0,0,0,0,118.324148,115.573648,211.276248,256.234752,362.797056,0,0,0,0,19.27985486,24.51813172,35.43128658,40.08759516,24.00909686,0,0,0,0,2852.983605,2344.647997,4817.248533,5512.411718,9985.553209,0,0,0,0,29.5625,34,51,72,54,0,0,0,0,43.14784547,45.14634625,34.102085,12.107088,1.016064,0,0,0,0,146.5052613,191.9316877,143.0315247,114.7366164,31.08374443,0,0,0,0,6.960244,7.223353,7.0425416,7.117632,6.718464,0,0,0,0,1.134109109,1.532383233,1.181042886,1.11354431,0.444612905,0,0,0,0,167.822565,146.5404998,160.5749511,153.1225477,184.917652,0,0,0,0,1.738970588,2.125,1.7,2,1,0,0,0,0,0.022809858,-0.007216765,0.01702135,-0.050984715,0.029775202,0,0,0,0,427.2917965,-60.32354774,185.9976055,-904.8532161,565.53326,0,0,0,0,794.5673416,-112.1742129,345.8704899,-1682.613194,1051.633246,0,0,0,0,0.083703529,-0.011816969,0.036435654,-0.177254533,0.110784083,0,0,0,0,3.552085711,-0.501470924,1.546202015,-7.522063859,4.701289912,0,0,0,0,19.29498596,-2.723998018,8.398993888,-40.85997027,25.53748142,0,0,0,0,3,-2.25,4.125,-6.75,3.375,0,0,0,0,0.001341756,-4.51E-04,5.67E-04,-0.001416242,5.51E-04,0,0,0,0,25.13481156,-3.770221734,6.199920184,-25.13481156,10.47283815,0,0,0,0,46.73925539,-7.010888308,11.52901633,-46.73925539,19.47468974,0,0,0,0,0.004923737,-7.39E-04,0.001214522,-0.004923737,0.002051557,0,0,0,0,0.208946218,-0.031341933,0.051540067,-0.208946218,0.087060924,0,0,0,0,1.134999174,-0.170249876,0.279966463,-1.134999174,0.472916323,0,0,0,0,0.176470588,-0.140625,0.1375,-0.1875,0.0625,0,0,0,0,-0.336162226,0.422862408,-1.055513609,0.410948394,0,0,0,0,-0.15,0.246666667,-1,0.416666667,0,0,0,0,-0.15,0.246666667,-1,0.416666667,0,0,0,0,-0.15,0.246666667,-1,0.416666667,0,0,0,0,-0.15,0.246666667,-1,0.416666667,0,0,0,0,-0.15,0.246666667,-1,0.416666667,0,0,0,0,-0.796875,0.779166667,-1.0625,0.354166667,0,0,0,0,1.881266148,0.574860964,2.462608686,0,0,0,0,0,1.7,0.906666667,2.266666667,0,0,0,0,0,1.7,0.906666667,2.266666667,0,0,0,0,0,1.7,0.906666667,2.266666667,0,0,0,0,0,1.7,0.906666667,2.266666667,0,0,0,0,0,1.7,0.906666667,2.266666667,0,0,0,0,0,2.375,0.066666667,2.666666667,0,0,0,0,0,13.21110255,6.605551275,8.605551275,13.21110255,2.64222051,6.608188235,0,1.11E-16,2.22E-17,-18.36840028,4000000,800000,7.60090246,13.21110255,6.605551275,8.605551275,13.21110255,2.64222051,6.608188235,0,1.11E-16,2.22E-17,-18.36840028,4000000,800000,7.60090246,13.21110255,6.605551275,8.605551275,13.21110255,2.64222051,6.608188235,0,1.11E-16,2.22E-17,-18.36840028,4000000,800000,7.60090246,13.21110255,6.605551275,8.605551275,13.21110255,2.64222051,6.608188235,0,1.11E-16,2.22E-17,-18.36840028,4000000,800000,7.60090246,13.21110255,6.605551275,8.605551275,13.21110255,2.64222051,6.608188235,0,1.11E-16,2.22E-17,-18.36840028,4000000,800000,7.60090246,13.21110255,6.605551275,8.605551275,13.21110255,2.64222051,6.608188235,0,1.11E-16,2.22E-17,-18.36840028,4000000,800000,7.60090246,18.32737207,9.073686034,11.73668603,18.21937207,3.643874413,9.073857014,-0.18,0,0,0,4000000,800000,7.60090246,0,11.89,12.11005553,-0.160865699,0.060072524,5.749051819,7.648394946,4,16,16,16,4,0,0,0,0,0,13.118484,3.488531903,2.333552793,2.333552793,2.333552793,0.491581102,0.083923071,0.083923071,0.083923071,1.896189934,1.249629723,1.249629723,1.249629723,0.083923071,0.083923071,0.083923071,0.083923071,3.515113137,2.405454588,2.405454588,2.405454588,0.591028181,0.270913902,0.270913902,0.270913902,1.835227416,1.134540686,1.134540686,1.134540686,0.270913902,0.270913902,0.270913902,0.270913902,3.63390493,2.704236987,2.704236987,2.704236987,0.967956913,0.943918427,0.943918427,0.943918427,1.657943416,0.76031856,0.76031856,0.76031856,0.943918427,0.943918427,0.943918427,0.943918427,3.53480624,2.457539916,2.457539916,2.457539916,0.661026396,0.399277246,0.399277246,0.399277246,1.79655539,1.058262671,1.058262671,1.058262671,0.399277246,0.399277246,0.399277246,0.399277246,3.692707108,2.838982085,2.838982085,2.838982085,1.207644823,1.207644823,1.207644823,1.207644823,1.603537667,0.631337262,0.631337262,0.631337262,1.118475382,1.207644823,1.207644823,1.207644823,3.505996902,2.56382137,2.56382137,2.56382137,0.598764148,0.540540541,0.540540541,0.540540541,1.807463753,0.942199748,0.942199748,0.942199748,0.540540541,0.540540541,0.540540541,0.540540541,0,0,0,0,0,4,0,0,1,0,0,0,0,0,0,0,0,0,0,2,0.5,0,0,2,0.5,0,0,0,0,0,0,0,0,4.5,2,3,0,0,0,0,0,0.9,0.5,0.5,0,0,0,0,0,4.5,2,3,0,0,0,0,0,0.9,0.5,0.5,0,0,0,0,0,8.250966823,16.32702112,15.35294118,15.56,9.791326946,131.4268359,0.48535099,0.960413007,0.903114187,0.915294118,0.575960409,7.730990349,2.0524,25.129,6.605551275,8.605551275,13.21110255,2.64222051,6.608188235,1.11E-16,2.22E-17,-18.36840028,4000000,800000,7.60090246,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.8,0,0,0,0,0,0,0,0,0,0,0,8.75,0,0,0,0,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.1875,0,0,0,0,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.1875,0,0,0,0,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.25,1.85,0.2,2.1875,0,0.5,3.9025,0.75,0.1875,1.5,0.75,0.1875,1.5,2.5,0.5,0,0,0.41765,0.7,0.41765,0.41765,0.7,0,0,0,0,0.71429,0,0,0.8,0,0.2,2,0.4,2,0.4,0,0,-2,-0.4,0,0,5,1,5,0,0,2,0.4,2,0,0,0.414,0.0828,0.414,0.0828,0,4,0,0,0,0,0,0,1,0.873981048,1.086312841,1.086312841,0.84587385,0.354706123,0,14.85767782,18.46731829,18.46731829,14.37985545,6.030004086,0,0.213819937,0.265767025,0.265767025,0.206943496,0.086779045,0,3.213481793,3.001150001,3.001150001,3.241588991,3.732756719,4.087462841,0.218495262,0.27157821,0.27157821,0.211468463,0.088676531,0,6.588780814,9.136762326,9.136762326,6.251494438,0.357481709,0,19.83472123,17.48713287,17.48713287,16.04449893,4.256473473,0,5,1,0,5,0,3,2.01,0.8131,3,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,1.857,6,0,0,0,0,0,0,0,0,15,1.609437912,1.945910149,0,0,0,0,0,0,0,0,2.772588722,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,1,2,1,3,0,0,0,0,0,0,0,0,0,0.75,0,0,0,0,0,0,0,0,0,0.75,6.605551275,8.605551275,13.21110255,2.64222051,6.608188235,1.11E-16,2.22E-17,-18.36840028,4000000,800000,7.60090246,0,95.03638183,3.321928095,3.044522438,3.496507561,4.394449155,4.859812404,5.771441123,6.240275845,7.155396302,7.625107148,8.541105011,60.12861699,2.197224577,0,3.496507561,0,4.859812404,0,6.240275845,0,7.625107148,7.913521017,72.09390038,4.24081767,8.5,1.7,0,0,0,16,0,3.161,20,1.2155,2.089680001,2.951054531,3.345220546,0,0,0,0,0,0,65.03495578,82.9226238,35.7286769,3.398958169,0,0,0,0,0,0,257.0304509,332.1578517,338.5940116,103.9819805,0,0,0,0,0,0,8.812494779,14.7919132,21.00452016,22.47474381,0,0,0,0,0,0,1.991404788,2.670940567,3.286129981,1.487328224,0,0,0,0,0,0,176.0959978,330.1405622,451.8729882,618.5903289,0,0,0,0,0,0,2.621375,3.797092162,5.902109062,3.345220546,0,0,0,0,0,0,0.414511875,0.561278171,0.708253087,0.342550584,0,0,0,0,0,0,318.048688,89.62008045,7.468340038,101.2961064,-28.54331913,-5.901015446,216.7525816,118.1633996,13.36935548,0.758441961,0.213714542,0.017809545,0.241558039,-0.068066468,-0.014071989,133.3720616,37.5817142,3.131809517,42.47799488,-11.96949229,-2.474560108,0.083333333,0.214040178,2.912736355,9.868049077,419.3447943,0,1,0,248.3262766,15.75837163,6.285515363,364.5707096,19.09373482,7.143766615,388.0098072,19.69796454,7.293694481,1.174792123,1.174792123,111.5585111,111.5578554,111.5569507,1.000005878,1.000013988,1.00000811,3.118319096,2.151830091,4.101713045,0.906150984,3.346806641,3.794192617,2.341218372,11.50449954,1.143433969,0.645864664,4.265803745,1.55E-06,1.08E-34,1.46E-84,3.80E-156,1.91E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.28087429,3.793901775,0.108501027,6.370526232,0.022508231,0.005283852,0.030044405,1.09E-08,7.62E-37,1.03E-86,2.68E-158,1.34E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.906696446,3.793921682,0.408227865,7.418479637,0.121059099,0.049291103,0.31308586,1.14E-07,7.94E-36,1.07E-85,2.79E-157,1.40E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.15911246,3.794160852,2.149338884,11.19020137,1.028732158,0.575959861,3.800754337,1.38E-06,9.64E-35,1.30E-84,3.38E-156,1.70E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336303737,3.793947064,0.660306027,8.137866795,0.227386282,0.10525826,0.680064324,2.47E-07,1.73E-35,2.33E-85,6.06E-157,3.04E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041753714,3.794326077,3.114330541,12.66820418,1.620443004,0.939535631,6.221273855,2.26E-06,1.58E-34,2.13E-84,5.54E-156,2.78E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.955767212,2.771379256,0.771489888,10.17073539,0.389029481,0.191504655,1.246399925,4.52E-07,3.16E-35,4.27E-85,1.11E-156,5.57E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.271438023,1.271421825,1.271410086,0.33333719,0.333332944,0.467509755,0.514625393,0.50476374,3.814269934,4.84955171,10.71909934,5.79E-06,1.486898889,0.773613241,0.773600693,0.773591598,0.333338244,0.333332837,0.173080488,0.190522207,0.186870322,2.320805532,1.795379439,4.579154586,7.37E-06,0.550473017,0.982980593,0.982966509,0.982956302,0.333337671,0.333332895,0.279441042,0.30760213,0.301706918,2.948903404,2.898677096,6.797349251,6.51E-06,0.88875009,1.260225045,1.260208929,1.260197249,0.333337205,0.333332942,0.459300058,0.505588274,0.495899762,3.780631223,4.764390814,10.54640033,5.81E-06,1.460788093,1.071156777,1.071142048,1.071131372,0.333337497,0.333332913,0.331822919,0.365263292,0.358263302,3.213430197,3.442044544,7.884449172,6.24E-06,1.055349512,1.306213917,1.306197464,1.30618554,0.333337147,0.333332948,0.493433804,0.543162225,0.532753839,3.91859692,5.118467274,11.26564309,5.72E-06,1.569349868,1.261865304,1.261849155,1.261837451,0.333337208,0.333332942,0.460496449,0.506905227,0.497191472,3.785551909,4.776801085,10.57155616,5.81E-06,1.464593149 +UMLMON0083,L,"2,2-Dimethylpropane",CC(C)(C)C,10041,"""neopentane""","Sandia, UML",[1],C5H12,PubChem,,80.2,0,2.1291,4.53306681,33.3946,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1531.545633,1380.178806,481.578048,54.867456,0,0,0,3461.958223,4376.887272,6343.167377,7546.541765,5529.286689,1678.522199,0,0,0,160.279036,159.125208,296.75898,384.494424,558.565632,362.797056,0,0,0,26.63610648,34.55010896,51.81309115,66.16993845,60.09517588,24.00909686,0,0,0,3846.242925,3210.7269,6671.119844,8301.419053,13833.70606,9985.553209,0,0,0,39.34027778,45.83333333,68.5,103.5,117,54,0,0,0,44.61329874,48.14991518,36.46537221,25.55886678,5.945408,1.016064,0,0,0,150.5199227,198.9494215,151.0277947,139.7507734,68.26279863,31.08374443,0,0,0,6.968653739,7.232964,7.06569,7.120267111,6.895872,6.718464,0,0,0,1.158091586,1.570459498,1.233645027,1.225369231,0.741915752,0.444612905,0,0,0,167.2279533,145.9421318,158.8361868,153.7299825,170.7864946,184.917652,0,0,0,1.71044686,2.083333333,1.630952381,1.916666667,1.444444444,1,0,0,0,0.030588158,-0.009555993,0.016606589,-0.02663582,-0.025211088,0.029502233,0,0,0,589.5388264,-58.58770946,234.1219796,-657.738582,-418.1240046,605.5589032,0,0,0,1096.272622,-108.9463475,435.3598184,-1223.09298,-777.5194411,1126.062639,0,0,0,0.115486609,-0.01147693,0.045862888,-0.128846473,-0.081907622,0.118624832,0,0,0,4.900848691,-0.487040864,1.946260952,-5.467794697,-3.475873664,5.034023928,0,0,0,26.62148787,-2.645613702,10.57212038,-29.70114757,-18.88100091,27.34489787,0,0,0,3.818236715,-2.62505251,2.877205419,-1.377599244,-3.965855388,3.182183365,0,0,0,0.00132992,-4.34E-04,3.95E-04,-4.93E-04,-3.11E-04,5.46E-04,0,0,0,25.63212289,-2.663077703,5.574332848,-12.18034411,-5.162024748,11.21405376,0,0,0,47.66402704,-4.952106706,10.36570996,-22.64986999,-9.599005446,20.85301183,0,0,0,0.005021157,-5.22E-04,0.001091974,-0.002386046,-0.001011205,0.002196756,0,0,0,0.213080378,-0.022138221,0.046339546,-0.101255457,-0.042912021,0.093222665,0,0,0,1.157455995,-0.120255168,0.251717152,-0.550021251,-0.233098777,0.506386998,0,0,0,0.166010292,-0.119320569,0.068504891,-0.025511097,-0.048961178,0.058929322,0,0,0,-0.326608638,0.297307362,-0.370891452,-0.234035141,0.41080492,0,0,0,-0.103896104,0.21747449,-0.475198413,-0.201388889,0.4375,0,0,0,-0.103896104,0.21747449,-0.475198413,-0.201388889,0.4375,0,0,0,-0.103896104,0.21747449,-0.475198413,-0.201388889,0.4375,0,0,0,-0.103896104,0.21747449,-0.475198413,-0.201388889,0.4375,0,0,0,-0.103896104,0.21747449,-0.475198413,-0.201388889,0.4375,0,0,0,-0.718754044,0.412654481,-0.15367178,-0.294928568,0.354973905,0,0,0,1.865358531,0.68757046,1.680400774,1.140016188,2.22E-05,0,0,0,1.642857143,0.968112245,1.756944444,1.003968254,0,0,0,0,1.642857143,0.968112245,1.756944444,1.003968254,0,0,0,0,1.642857143,0.968112245,1.756944444,1.003968254,0,0,0,0,1.642857143,0.968112245,1.756944444,1.003968254,0,0,0,0,1.642857143,0.968112245,1.756944444,1.003968254,0,0,0,0,2.317096315,0.394410429,1.513812009,1.280404871,0,0,0,0,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,36.10604471,17.91284378,26.4792645,35.90578961,5.129398515,17.91284381,-0.280357143,0.059904311,0.008557759,-1.97050477,17.90059046,2.557227209,2.019383589,0,11.89,12.11009426,-0.158279836,0.063161064,6.069125,8.904305318,6,22,22,22,6,0,0,0,0,0,17.491312,3.592210092,2.93473753,2.333552793,2.333552793,2.333552793,1.348564318,0.407859446,0.083923071,1.94842146,1.567579594,1.249629723,1.249629723,1.249629723,0.515601121,0.083923071,0.083923071,3.614885488,2.979392306,2.405454588,2.405454588,2.405454588,1.443680088,0.523383986,0.270913902,1.893841151,1.480174507,1.134540686,1.134540686,1.134540686,0.374584505,0.270913902,0.270913902,3.71701589,3.173591803,2.704236987,2.704236987,2.704236987,1.833306235,0.962616639,0.943918427,1.737865518,1.211712533,0.76031856,0.76031856,0.76031856,0.094802763,0.943918427,0.943918427,3.631722385,3.012216013,2.457539916,2.457539916,2.457539916,1.512321251,0.604822485,0.399277246,1.859471835,1.423475741,1.058262671,1.058262671,1.058262671,0.280302821,0.399277246,0.399277246,3.768138429,3.266108607,2.838982085,2.838982085,2.838982085,2.005337396,1.207644823,1.207644823,1.690770406,1.124849596,0.631337262,0.631337262,0.631337262,0.260760981,1.138209059,1.207644823,3.583739518,3.07441959,2.588679096,2.588679096,2.588679096,1.529446746,0.602848506,0.556291391,1.893648603,1.343323548,0.919804923,0.919804923,0.919804923,0.222356381,0.556291391,0.556291391,0,0,0,0,0,5,0,1,1,0,0,0,0,0,0,0,0,0,0,1.654700538,0.288675135,0.866025404,0.288675135,1.654700538,0.288675135,0.866025404,0.288675135,2.598076211,0.577350269,0,2.598076211,0.577350269,0,6.077350269,2.943375673,3.520725942,1.732050808,0,0,0,0,0.868192896,0.490562612,0.391191771,0.288675135,0,0,0,0,6.077350269,2.943375673,3.520725942,1.732050808,0,0,0,0,0.868192896,0.490562612,0.391191771,0.288675135,0,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.6885,34.293,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,11.28472222,0,0,0,0,0,0.798611111,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.25,0,0,0,0,0,0.798611111,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.261574074,0,0,0,0,0,0.798611111,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.58333333,1.797619048,0.2,2.261574074,0,0.5,5.336909722,0.75,0.261574074,2.569444444,0.75,0.261574074,2.569444444,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.71429,0.14286,0.14286,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,8.30939,1.18706,8.30939,0,0,2.94337,0.42048,2.94337,0,0,0.47063,0.06723,0.47063,0.06723,0,6,0,0,0,0,0,0,1,0.886540893,1.236186283,1.681899068,2.315127716,1.921774503,1.035405623,20.39044053,28.43228451,38.68367855,53.24793747,44.20081356,23.81432932,0.195982923,0.273277186,0.371808562,0.511793082,0.42483656,0.228891664,3.637021063,3.287375673,2.841662889,2.20843424,2.601787454,3.488156333,0.19880132,0.27720714,0.377155479,0.519153093,0.430946064,0.232183316,6.634953582,10.83069827,13.60008547,14.23826915,9.518030588,1.043507705,27.76507516,22.54607319,19.16553126,20.93436246,18.57424318,7.801485814,7,1.851851852,2.666666667,7,0,4,2.23,1.0949,3.920263408,0,3.298769777,3.789291416,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.131,0.009,0.004,2.627,9,6,0,0,0,0,0,0,0,28,1.945910149,2.302585093,1.945910149,0,0,0,0,0,0,0,3.36729583,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,6,1,0,2,3,0.5,3.5,1.333333333,0,0,0,0,0,0,0,0,0.583333333,0.148148148,0,0,0,0,0,0,0,0,0.731481481,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,0,129.6283511,3.807354922,3.433987204,4.110873864,4.934473933,5.666426688,6.475432717,7.221835825,8.026496939,8.776630098,9.580040124,71.22619739,2.564949357,0,3.891820298,0,5.379897354,0,6.91671502,0,8.466531277,8.706821323,100.1252005,4.353269587,12.29305504,1.75615072,0,0,0,42,6,4.238,30,1.224818182,2.109270524,2.951680438,3.454650488,3.913077987,0,0,0,0,0,69.72220731,88.72455476,79.7464231,21.19017043,3.975937672,0,0,0,0,0,268.787596,351.9329754,424.3186102,240.7331816,121.6331161,0,0,0,0,0,8.893455721,14.97766252,21.04161946,23.84625228,26.28987359,0,0,0,0,0,2.059771149,2.80470988,3.687583662,2.602315071,1.739804971,0,0,0,0,0,176.6115071,329.7128201,452.0018764,588.1417883,723.5971936,0,0,0,0,0,2.588977273,3.627320952,5.748036126,5.048734536,3.913077987,0,0,0,0,0,0.427911136,0.588223049,0.782919996,0.573102175,0.400699186,0,0,0,0,0,342.4271852,130.4788689,8.116067026,101.5476956,-38.69385678,-5.796802571,240.8794896,169.1727257,13.9128696,0.771276034,0.293887953,0.018280464,0.228723966,-0.087153257,-0.0130566,152.0290687,57.92934027,3.60332989,45.08462602,-17.17910045,-2.57363473,0.078876995,0.163203804,1.326139724,7.088037123,443.9748807,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,669.3452909,25.87170831,8.747488981,1.095700112,1.095700112,263.0597656,215.3646754,165.3093865,1.221461993,1.591317778,1.30279762,3.637217467,3.220218461,5.261260744,0.633821061,4.462408855,5.691187896,2.838021923,31.37300548,4.13368779,4.853544508,10.19774657,13.31665696,4.946205101,0.01337715,7.94E-24,9.09E-67,2.01E-131,8.55E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851902,0.150027288,10.09099914,2.016656515,0.105484909,0.688668416,0.642338515,0.034836527,9.42E-05,5.59E-26,6.40E-69,1.41E-133,6.03E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690874984,0.54238975,13.2833959,2.184108306,0.539358425,2.134850283,2.386693723,0.36302347,9.82E-04,5.83E-25,6.67E-68,1.47E-132,6.28E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.69115123,2.618165909,29.66269788,3.91044984,4.373497933,9.440555381,12.24260957,4.406979696,0.0119188,7.08E-24,8.10E-67,1.79E-131,7.62E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690904339,0.858147305,15.81684405,2.377647511,0.996142624,3.274532199,3.834366846,0.788535486,0.002132616,1.27E-24,1.45E-67,3.20E-132,1.36E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691341932,3.714837547,38.16812044,5.06655274,6.845960596,13.20004339,17.63188057,7.213575288,0.019509317,1.16E-23,1.33E-66,2.93E-131,1.25E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.704336019,4.256075768,1.054784201,19.64477258,3.169610386,1.788023979,5.263983409,6.329010249,1.530653182,0.004139694,2.46E-24,2.81E-67,6.21E-132,2.65E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.145920909,1.661374042,1.067828051,0.440177798,0.340786077,0.583636037,0.606390022,0.455537188,4.875123002,7.63071364,16.31283296,0.171445813,1.645563248,1.563560077,1.063578484,0.588266478,0.486271576,0.330775896,0.313998379,0.248517108,0.141443713,3.215405039,3.208426404,7.402100274,0.229407365,0.7039592,1.804564262,1.311184862,0.787109591,0.462369866,0.33595499,0.415745816,0.377698325,0.250783718,3.902858715,4.818553362,10.58380573,0.197487285,1.044227859,2.13244559,1.647560472,1.056764982,0.440882062,0.340632305,0.576481191,0.596348228,0.446372078,4.836771044,7.507911101,16.0574495,0.172271551,1.619201497,1.907750409,1.417101191,0.872072922,0.454559142,0.337652294,0.463561223,0.441183165,0.306602276,4.196924522,5.602988427,12.15754062,0.188317153,1.211346664,2.187820796,1.704320559,1.102218241,0.438058324,0.341249068,0.606159754,0.638145589,0.484594954,4.994359596,8.01873716,17.12299078,0.168961089,1.728900296,2.136550383,1.651655338,1.058166822,0.440855581,0.340802388,0.578519861,0.599316254,0.447286699,4.846372543,7.537398453,16.11787753,0.172486954,1.625122814 +UMLMON0084,L,"2,2,3-Trimethylbutane",CC(C)C(C)(C)C,10044,Sandia values were badly (error with coding) averaged but we have values from source [9] as well so maybe just use these; opting for source [9],"Sandia, UML",[9],C7H16,PubChem,,101.3,0,1.2808,1.64044864,42.3047,29.602274,0,0,28,10,18,0,10,0,0,0,0,0,0,0,0,0,1460.930362,1804.832915,2683.631344,2545.473349,1394.579933,364.571424,33.530112,0,0,4794.676417,6723.945014,10591.37385,12198.83692,9420.489571,4506.255503,1025.763566,0,0,196.337512,211.063052,414.798784,589.87426,696.713396,514.263168,221.709312,0,0,35.89203229,50.72169758,83.36408416,103.5008992,90.96715903,50.7381844,14.67222586,0,0,4596.461297,4150.943776,8841.397953,12875.62664,16547.8033,13042.15119,6102.282517,0,0,43.64583333,54.02777778,91.11111111,131.8194444,141.75,96,33,0,0,52.17608436,62.23561776,46.26950593,30.6683536,13.94579933,4.86095232,1.016064,0,0,171.2384435,231.8601729,182.609894,146.9739388,94.20489571,60.0834067,31.08374443,0,0,7.012054,7.278036276,7.151703172,7.106918795,6.96713396,6.85684224,6.718464,0,0,1.281858296,1.749024054,1.437311796,1.246998786,0.90967159,0.676509125,0.444612905,0,0,164.159332,143.1359923,152.4378957,155.1280318,165.478033,173.8953492,184.917652,0,0,1.558779762,1.86302682,1.570881226,1.588186078,1.4175,1.28,1,0,0,0.034845978,-0.005205208,0.006758152,-0.018323082,-0.017850773,-0.002342205,0.019540127,0,0,778.2814864,50.03238127,151.950195,-603.4769938,-531.2079987,33.97260457,509.5890685,0,0,1447.247658,93.03734943,282.5578761,-1122.191239,-987.8039569,63.17350887,947.6026331,0,0,0.15246,0.009801,0.029766,-0.118217,-0.10406,0.006655,0.099825,0,0,6.469870403,0.41592024,1.263165174,-5.016716971,-4.415943291,0.282414978,4.236224668,0,0,35.14443871,2.259285346,6.861533272,-27.25088621,-23.98747404,1.534082642,23.01123963,0,0,2.965029762,-1.47246138,1.103936366,-1.017369969,-0.338647959,-1.149633291,1.391661352,0,0,0.001244499,-1.79E-04,1.17E-04,-2.21E-04,-1.79E-04,-3.12E-05,5.92E-04,0,0,27.79576737,1.725254527,2.619830948,-7.270807155,-5.312079987,0.452968061,15.44209298,0,0,51.68741635,3.208184463,4.871687518,-13.52037638,-9.878039569,0.842313452,28.71523131,0,0,0.005445,3.38E-04,5.13E-04,-0.001424301,-0.0010406,8.87E-05,0.003025,0,0,0.2310668,0.014342077,0.02177871,-0.060442373,-0.044159433,0.003765533,0.128370444,0,0,1.255158525,0.077906391,0.118302298,-0.32832393,-0.23987474,0.020454435,0.697310292,0,0,0.10589392,-0.05077453,0.019033386,-0.01225747,-0.00338648,-0.015328444,0.042171556,0,0,-0.144226641,0.093627917,-0.17738864,-0.143437397,-0.025093952,0.475793837,0,0,0.062068966,0.094252874,-0.261579652,-0.191111111,0.016296296,0.555555556,0,0,0.062068966,0.094252874,-0.261579652,-0.191111111,0.016296296,0.555555556,0,0,0.062068966,0.094252874,-0.261579652,-0.191111111,0.016296296,0.555555556,0,0,0.062068966,0.094252874,-0.261579652,-0.191111111,0.016296296,0.555555556,0,0,0.062068966,0.094252874,-0.261579652,-0.191111111,0.016296296,0.555555556,0,0,-0.47948485,0.179740117,-0.115752344,-0.031979925,-0.144752823,0.398243413,0,0,1.517013366,0.923657217,1.269896879,1.103862377,0.860441528,0.003445469,0,0,1.303448276,1.086206897,1.36626506,1.092,0.728,0,0,0,1.303448276,1.086206897,1.36626506,1.092,0.728,0,0,0,1.303448276,1.086206897,1.36626506,1.092,0.728,0,0,0,1.303448276,1.086206897,1.36626506,1.092,0.728,0,0,0,1.303448276,1.086206897,1.36626506,1.092,0.728,0,0,0,1.96689309,0.601297971,1.200362806,1.007051443,1.143327478,0,0,0,42.91636531,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,-1.07E-14,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,42.91636531,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,-1.07E-14,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,42.91636531,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,-1.07E-14,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,42.91636531,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,-1.07E-14,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,42.91636531,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,-1.07E-14,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,42.91636531,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,-1.07E-14,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,52.72150894,25.65731701,36.25203536,52.53175894,5.253175894,25.65731701,-0.31625,0.023459735,0.002345973,-3.752469737,115.1035612,11.51035612,4.745832255,0,11.89,12.11015511,-0.155175387,0.067055821,6.396554148,9.725762946,11,29,29,29,11,0,0,0,0,0,19.677726,3.877852129,3.141473347,2.809343081,2.607986348,2.333552793,2.090350762,1.472303479,1.192235244,2.131269708,1.638904328,1.429675359,1.288705716,1.249629723,0.948103196,0.60237069,0.444993627,3.894013269,3.173833049,2.850132729,2.655884336,2.405454588,2.154972153,1.560801638,1.294481877,2.091941219,1.565065938,1.340101534,1.195114274,1.134540686,0.83649063,0.463147758,0.295679407,3.966353414,3.319119613,3.033883139,2.865101297,2.704236987,2.428760712,1.932525422,1.715561448,1.981087775,1.348572937,1.071039608,0.906225724,0.76031856,0.481029845,0.002351494,0.206850741,3.905980595,3.197855696,2.880481777,2.691164893,2.457539916,2.202105413,1.625285409,1.368525297,2.0673541,1.518028111,1.282403702,1.134262009,1.058262671,0.763105901,0.37016533,0.195402502,4.00249394,3.391154406,3.124586202,2.964886945,2.838982085,2.554791317,2.100058383,1.90100136,1.947803106,1.281918617,0.986856831,0.812519708,0.631337262,0.361219123,0.158354443,0.386105846,3.861539028,3.288758461,2.980497503,2.759036659,2.713284429,2.291313705,1.718121473,1.472022545,2.101962664,1.419085373,1.166523996,1.019042412,0.808522524,0.633731788,0.231313786,0.047145469,0,0,0,0,0,3,3,3,1,0,0.11785113,0.387076975,0.759946456,1.178528219,0,0.11785113,0.387076975,0.759946456,1.178528219,1.40857456,0.166666667,0.648271461,0.151374715,1.40857456,0.166666667,0.648271461,0.151374715,3.260153798,4.31544863,4.893089478,3.260153798,4.31544863,4.893089478,7.353371151,4.621027034,4.915120116,4.203665235,3.059150443,2.048616017,1.145707649,0.340206909,0.735337115,0.420093367,0.273062229,0.168146609,0.109255373,0.068287201,0.05207762,0.034020691,7.353371151,4.621027034,4.915120116,4.203665235,3.059150443,2.048616017,1.145707649,0.340206909,0.735337115,0.420093367,0.273062229,0.168146609,0.109255373,0.068287201,0.05207762,0.034020691,14.87645023,26.99053168,25.52941176,25.84,17.18699042,213.9969904,0.531301794,0.96394756,0.911764706,0.922857143,0.613821086,7.642749658,3.0786,43.776,47.52016661,65.02412399,95.04033322,9.504033322,47.52016661,0.004736954,4.74E-04,-5.352360875,61.98482058,6.198482058,4.126889526,74,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,3,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,7.351967593,0,4.539282407,0,0,0,3.152731481,0,0,0,0,0,0.706018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.432337963,0,1.498773148,0,0,0,1.013888889,0,0,0,0,0,0.706018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.459814815,0,1.53587963,0,0,0,1.0775,0,0,0,0,0,0.706018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.75,1.575,0.2,2.459814815,0,0.706018519,6.876869537,0.543981481,0.459814815,2.784953704,0.543981481,0.459814815,2.784953704,5,0.5,0,0,0.44286,0.7,0.44286,0.44286,0.7,0,0,0,0,0.71429,0,0,0.3,0.3,0.1,5.5,0.55,5.5,0.55,0,0,-5.5,-0.55,0,0,12.14436,1.21444,12.14436,0,0,4.62101,0.4621,4.62101,0,0,0.29299,0.0293,0.37899,0.0379,0.25,31,0,0,0,0,0,0,1,0.940285959,1.617236617,2.921855368,3.556656707,3.56610894,3.726474118,26.32800684,45.28262529,81.8119503,99.58638781,99.85105032,104.3412753,0.195593205,0.336408824,0.607788569,0.739836514,0.741802716,0.775161014,3.867068963,3.190118305,1.885499554,1.250698215,1.241245982,1.080880804,0.193554886,0.332903035,0.601454672,0.732126517,0.734072229,0.767082893,6.779097864,14.90250577,20.24701057,20.59042727,21.6814608,21.05792549,39.20654966,27.04996415,21.33776057,19.98196142,18.27438233,18.74770701,6.694214876,1.777777778,0.7168,0,0,0,2.56,1.3004,0.944940787,2.94389819,4.112265279,2.080083823,1.650963624,5.853800636,1.310370697,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0.003,0.162,0.171,0.231,0.39,4.38,18,25,28,30,22,10,2,0,0,156,2.48490665,2.944438979,3.258096538,3.36729583,3.433987204,3.135494216,2.397895273,1.098612289,0,0,5.056245805,1,0.25,1,0,1,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,3,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.272727273,1,3,4,0.333333333,3.5,2.222222222,1.75,0.444444444,0,0,0,0,0,0,0.318181818,0.138888889,0.134615385,0.088888889,0,0,0,0,0,0,0.680574981,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,0,156.8033876,4.321928095,4.077537444,4.976733742,5.92157842,6.844815479,7.791109511,8.718500048,9.665293813,10.593555,11.5405309,91.12965436,3.135494216,0,4.634728988,0,6.385194399,0,8.219056661,0,10.08008442,10.25058175,138.1408506,4.933601806,19.92298566,1.992298566,0,0,0,102,13,5.143,58,1.260842657,2.167003007,2.955146456,3.574897206,4.212033248,5.186224903,0,0,0,0,90.59663351,110.4976145,95.29626222,54.69649831,22.31472655,5.26953642,0,0,0,0,320.6742364,423.6950824,448.4549007,351.764085,266.9530746,161.2072895,0,0,0,0,9.215264295,15.55615877,21.03721071,24.945452,28.94747784,34.84346531,0,0,0,0,2.358982158,3.281636586,3.773703597,3.347022889,2.960468694,2.30586252,0,0,0,0,178.0559739,326.2078364,455.8455877,588.7173757,727.1775171,959.024532,0,0,0,0,2.382355539,3.51573154,4.769943067,5.164893552,5.548859049,5.186224903,0,0,0,0,0.486432098,0.683942693,0.797675148,0.722958774,0.655062536,0.53106943,0,0,0,0,357.934741,166.0352231,9.157119668,94.09436517,-43.64756233,-4.820295954,263.8403758,209.6827855,13.97741562,0.79184003,0.367310912,0.02025781,0.20815997,-0.096559186,-0.010663685,161.796921,75.0527535,4.139284618,42.53339178,-19.72996858,-2.178914071,0.066548185,0.133972909,0.942196585,1.360885345,452.0291062,0,1,0,703.4706294,26.52302074,8.89369005,877.8372789,29.62831887,9.574982892,1348.404062,36.72062176,11.0477376,1.376517016,1.141905171,442.346099,408.5283359,238.959022,1.08277948,1.851137887,1.709616705,3.994938874,3.701688834,6.581109411,0.777866727,5.048512244,9.218822216,8.467001606,27.94238282,15.336863,16.22938238,16.7966155,18.03409271,7.014014333,4.574372155,2.878290981,0.785227345,2.40E-08,2.14E-37,3.68E-88,1.22E-160,7.81E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421510783,8.913529534,1.917929567,9.554882134,1.690753089,0.994909456,2.192824417,1.404537911,0.818123693,0.093121963,0.02262889,0.00553042,1.69E-10,1.51E-39,2.59E-90,8.60E-163,5.50E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,1.362121909,8.933930478,3.037670306,12.33891175,3.402447491,3.20320695,4.169446444,3.455663246,1.50341876,0.492207908,0.217305479,0.057631245,1.76E-09,1.57E-38,2.70E-89,8.96E-162,5.74E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,4.763885515,9.185303995,7.989281884,26.47382421,14.12159454,14.97785934,15.54728564,16.54082069,6.429727345,4.117619441,2.566128276,0.699623428,2.13E-08,1.90E-37,3.28E-88,1.09E-160,6.96E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,2.008967632,8.960380755,3.87078816,14.53785158,4.896295851,4.986773286,5.82453981,5.262556395,2.145893628,0.919269937,0.466216871,0.125182764,3.82E-09,3.41E-38,5.86E-89,1.95E-161,1.25E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,6.103906784,9.359761663,10.32297224,33.76911905,20.26776147,21.22527262,21.82573384,24.10258641,9.410104321,6.472639025,4.190029495,1.145180286,3.49E-08,3.12E-37,5.36E-88,1.78E-160,1.14E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,3.496787887,7.728828666,4.929302276,18.73341482,7.752540201,8.413323313,10.14178666,9.454697381,4.340116005,2.163394832,1.172667055,0.316544155,9.66E-09,8.62E-38,1.48E-88,4.92E-161,3.15E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,3.103301526,1.539755243,1.347967338,0.517991828,0.257010357,0.466128244,0.426179363,0.429449363,5.991024108,11.03701367,23.46906353,0.276987741,1.32175697,2.215040748,0.988503566,0.744340074,0.561070318,0.250388175,0.237042895,0.181884788,0.133041431,3.947884389,4.574102092,10.1517754,0.341605476,0.551969114,2.55622559,1.199622052,0.976992453,0.540103941,0.253467691,0.315924411,0.263975579,0.227786573,4.732840095,6.735939388,14.46473132,0.310155912,0.807686562,3.080103368,1.525279105,1.332299129,0.518738386,0.256881256,0.459165346,0.418488535,0.419664211,5.937681602,10.83376437,23.03061034,0.278107578,1.297318091,2.713119531,1.296929444,1.083672573,0.532639938,0.254613338,0.356011266,0.306553974,0.27941531,5.093721548,7.864304695,16.77117159,0.298959907,0.94198055,3.176348793,1.585375208,1.397262321,0.515725905,0.257408464,0.488396881,0.450909959,0.46098599,6.158986322,11.68908216,24.88426881,0.273588857,1.40029283,3.098522183,1.52840047,1.337695872,0.519483714,0.256244463,0.464705686,0.420013351,0.423096793,5.964618525,10.92519809,23.22485367,0.279225571,1.307815831 +UMLMON0085,L,"4,6,6-trimethylbicyclo[3.1.1]heptane",CC1CCC2CC1C2(C)C,10129,Sandia and co-optima database values from Sinor report could not varify this so I think we should use UML values,"Sandia, UML",[1],C10H18,PubChem,,65.9,0,3.189,10.169721,48.0838,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2225.60387,2383.926398,1452.821334,498.674905,97.028064,9.144576,0,4670.34144,5841.481647,8138.02742,9402.41886,8234.961463,4618.93496,1434.429565,279.7536999,0,169.463656,175.052008,300.070904,325.814648,427.200216,454.619044,203.948928,60.466176,0,34.11358067,43.47862034,62.19666382,72.8955422,72.85120431,49.08095535,17.35197558,4.001516144,0,3856.790689,3411.659229,6444.093573,6553.715069,9220.154339,11319.76903,5356.758935,1664.258868,0,49.11111111,60.33333333,86.22222222,104.4444444,120,93,36,9,0,60.70275442,67.17251842,52.99056833,52.97614218,24.2136889,7.555680379,3.2342688,1.016064,0,194.59756,243.3950686,193.7625576,208.9426413,137.2493577,69.98386303,47.81431882,31.08374443,0,7.060985667,7.293833667,7.144545333,7.240325511,7.1200036,6.888167333,6.7982976,6.718464,0,1.421399194,1.811609181,1.480872948,1.619900938,1.214186738,0.743650839,0.578399186,0.444612905,0,160.6996121,142.1524679,153.4307994,145.6381126,153.669239,171.5116519,178.5586312,184.917652,0,2.046296296,2.513888889,2.052910053,2.320987654,2,1.409090909,1.2,1,0,0.038346943,0.001951,0.01105773,-0.016371542,-0.047873149,0.007484154,0.017641948,0.006936387,0,706.2183858,-7.82E-14,358.15361,-285.0095629,-1039.149911,95.84392379,327.8871077,189.1656391,0,1313.243245,1.28E-13,666.0019314,-529.9874525,-1932.343632,178.225869,609.7200781,351.7615835,0,0.138343333,2.23E-15,0.070159833,-0.055831417,-0.203562333,0.018775167,0.064230833,0.03705625,0,5.870808328,1.39E-14,2.977338509,-2.369290504,-8.638475112,0.796752559,2.725732438,1.572537945,0,31.89032402,-1.07E-13,16.17295004,-12.87002362,-46.92433391,4.327972545,14.80622186,8.542051076,0,4.648148148,-1.37037037,2.513888889,-0.020833333,-6.583333333,0.217592593,1.74537037,1.173611111,0,0.001597789,8.13E-05,2.63E-04,-3.64E-04,-7.98E-04,1.13E-04,5.88E-04,7.71E-04,0,29.42576608,-3.26E-15,8.527466904,-6.333545841,-17.31916518,1.452180664,10.92957026,21.01840434,0,54.71846854,5.33E-15,15.85718884,-11.77749894,-32.2057272,2.700391954,20.3240026,39.08462039,0,0.005764306,9.28E-17,0.001670472,-0.001240698,-0.003392706,2.84E-04,0.002141028,0.004117361,0,0.244617014,5.81E-16,0.070889012,-0.0526509,-0.143974585,0.012072008,0.090857748,0.174726438,0,1.328763501,-4.44E-15,0.385070239,-0.286000525,-0.782072232,0.065575342,0.493540729,0.949116786,0,0.19367284,-0.057098765,0.059854497,-4.63E-04,-0.109722222,0.003296857,0.058179012,0.130401235,0,0.050877596,0.164777229,-0.227697139,-0.499368616,0.070970735,0.368049111,0.482360052,0,-1.11E-16,0.289795918,-0.215238095,-0.588571429,0.049350649,0.371428571,0.714285714,0,9.74E-17,0.289795918,-0.215238095,-0.588571429,0.049350649,0.371428571,0.714285714,0,1.61E-14,0.289795918,-0.215238095,-0.588571429,0.049350649,0.371428571,0.714285714,0,2.37E-15,0.289795918,-0.215238095,-0.588571429,0.049350649,0.371428571,0.714285714,0,-3.34E-15,0.289795918,-0.215238095,-0.588571429,0.049350649,0.371428571,0.714285714,0,-0.294820717,0.309049516,-0.002390438,-0.566533865,0.017022818,0.300398406,0.673306773,0,1.042489875,0.853117715,1.398634313,1.53212258,0.75820756,0.341390039,0,0,1.15,0.751020408,1.314285714,1.577142857,0.776623377,0.394285714,0,0,1.15,0.751020408,1.314285714,1.577142857,0.776623377,0.394285714,0,0,1.15,0.751020408,1.314285714,1.577142857,0.776623377,0.394285714,0,0,1.15,0.751020408,1.314285714,1.577142857,0.776623377,0.394285714,0,0,1.15,0.751020408,1.314285714,1.577142857,0.776623377,0.394285714,0,0,1.511952191,0.549800797,1.014077025,1.667729084,0.849692141,0.494820717,0,0,35.33244653,17.66622327,23.70303142,35.33244653,3.533244653,17.66622336,-2.49E-14,3.61E-16,3.61E-17,-35.55814557,44.91843988,4.491843988,3.804848398,35.33244653,17.66622327,23.70303142,35.33244653,3.533244653,17.66622336,-2.49E-14,3.61E-16,3.61E-17,-35.55814557,44.91843988,4.491843988,3.804848398,35.33244653,17.66622327,23.70303142,35.33244653,3.533244653,17.66622336,-2.49E-14,3.61E-16,3.61E-17,-35.55814557,44.91843988,4.491843988,3.804848398,35.33244653,17.66622327,23.70303142,35.33244653,3.533244653,17.66622336,-2.49E-14,3.61E-16,3.61E-17,-35.55814557,44.91843988,4.491843988,3.804848398,35.33244653,17.66622327,23.70303142,35.33244653,3.533244653,17.66622336,-2.49E-14,3.61E-16,3.61E-17,-35.55814557,44.91843988,4.491843988,3.804848398,35.33244653,17.66622327,23.70303142,35.33244653,3.533244653,17.66622336,-2.49E-14,3.61E-16,3.61E-17,-35.55814557,44.91843988,4.491843988,3.804848398,39.97889398,19.7763426,26.92250745,39.94149166,3.994149166,19.77634261,-0.08,0.001201837,1.20E-04,-6.723904361,46.22418591,4.622418591,3.833503166,0,11.85,12.1501118,-0.208324148,0.091801547,6.31734375,9.073764748,10,24,21,18,4,3,0,0,0,6,15.304898,3.86608836,3.074108768,2.930341262,2.526189969,2.414345328,1.752003504,1.727886093,0.642274226,2.026218595,1.543722231,1.457339391,1.342058293,1.191515532,0.529337856,0.493106069,0.083923071,3.874881016,3.100516907,2.960308976,2.58738709,2.473602253,1.816107662,1.789198531,0.75812932,1.997853511,1.467781577,1.373278009,1.235749843,1.092367894,0.418650007,0.40848047,0.259512969,3.916338787,3.227667877,3.104192224,2.847252568,2.724040832,2.071891253,2.041320332,1.215779999,1.925239687,1.254997295,1.135020999,0.896989736,0.771663849,0.117830704,0.088644508,0.705413466,3.881496846,3.12059166,2.983069863,2.632047319,2.516796779,1.861974594,1.833409531,0.841353756,1.98083883,1.420105698,1.320218527,1.165802121,1.02672174,0.351281176,0.348173596,0.338064813,3.938468372,3.29530796,3.180415135,2.967233885,2.838709674,2.181157343,2.155493005,1.400331531,1.905361359,1.193850758,1.06599297,0.78304047,0.662390182,0.011177143,0.020019443,0.890545473,3.856848636,3.137099096,3.030759072,2.718776455,2.610219652,1.892529733,1.877120783,0.913836778,1.996651788,1.372262947,1.246089781,1.065150334,0.923017701,0.323420728,0.288749583,0.392438371,0,0,0,2,4,4,0,0,0,0,0,0,0.055555556,0.222222222,0,0,0,0.020833333,0.083333333,0.8563047,0,0.383276638,0,0.538675135,0,0.206837567,0,2.341091489,2.755763801,3.510558351,1.369016936,1.421848152,1.577350269,7.723614639,4.625897658,4.25015155,3.701831787,2.087989615,1.345596221,0.636894534,0.166666667,0.772361464,0.462589766,0.303582254,0.217754811,0.130499351,0.084099764,0.063689453,0.055555556,7.154700538,3.660683603,2.949358737,2.328846035,1.091506351,0.593002117,0.25,0.0625,0.715470054,0.36606836,0.210668481,0.136990943,0.068219147,0.037062632,0.025,0.020833333,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,1.79868,41.002,42.11558273,54.12612461,84.23116546,8.423116546,42.11558273,4.44E-16,4.44E-17,-35.35050621,55.74143817,5.574143817,4.020723823,76,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,2,0,0,0,0,0,0,0,0,4,0,0,0,0,2,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.00111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.761944444,0,0,0,0,0.761944444,0,0,0,0,0,0,0,0,8.665555556,0,0,0,0,4.356481481,0,0,0,0,5.64462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.391759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0,0,0,0.380972222,0,0,0,0,0,0,0,0,2.154537037,0,0,0,0,2.178240741,0,0,0,0,1.391759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.178240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0,0,0,0.380972222,0,0,0,0,0,0,0,0,2.178240741,0,0,0,0,2.178240741,0,0,0,0,1.430555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.66666667,1.866666667,0.380972222,2.178240741,0.116319444,1.391759259,6.175033889,0.274907407,0.178240741,2.044074074,0.274907407,0.178240741,2.044074074,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.4,0.4,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.70126,0.77013,12.65295,4.95169,0.49517,2.41574,0.24157,4.62587,2.21014,0.22101,0.28813,0.02881,0.37413,0.03741,0.25,10,0,0,0,0,0,0,0.4,0.979868757,1.959147917,2.125814584,2.29248125,2.79248125,2.79248125,23.51685016,47.01955001,51.01955001,55.01955001,67.01955001,67.01955001,0.213713581,0.427298569,0.463649285,0.5,0.609052146,0.609052146,3.605093744,2.625814584,2.459147917,2.29248125,1.79248125,1.79248125,0.206076118,0.412028238,0.44707989,0.482131543,0.587286502,0.587286502,6.772325919,14.7298096,16.7298096,18.7298096,19.23372211,19.23372211,37.92632204,30.86215626,27.69223126,24.52230625,24.52230625,24.52230625,8.1,2.93877551,1.55017301,0,6,0,2.56,1.28,1.668817935,2.746356192,7.883079778,0,1,4.298279727,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.088,0.481,0.688,4.848,14,17,16,16,10,3,0,0,0,96,2.63905733,3.277144733,3.778491613,4.141148628,4.541298109,4.274928499,3.168897455,0,0,0,5.830690418,3.537434896,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.4,0,3,5,0.666666667,2.5,2,0.875,0.524444444,0,0,0,0,0,0,0.25,0.142857143,0.0625,0.087407407,0,0,0,0,0,0,0.54276455,22.38592246,30.81456194,44.77184491,4.477184491,22.38592246,5.00E-16,5.00E-17,-35.23272317,42.18307695,4.218307695,3.742019121,0,150.3504702,4.321928095,3.891820298,4.709530201,5.549076085,6.385194399,7.22620901,8.065579427,8.90666441,9.74689222,10.58782101,85.06878706,3.044522438,0,4.343805422,0,5.860786223,0,7.471363088,0,9.122710622,9.338997404,134.1095504,5.587897935,19.22532837,1.922532837,0,0,0,109,14,3.65,48,1.234762656,2.136286397,3.076576182,3.799060094,4.377213257,5.802564583,6.552566751,0,0,0,92.46115255,126.2257952,172.6171713,101.2701606,38.70682904,19.47390442,6.657827183,0,0,0,322.7760344,449.4313647,666.1560596,547.5869914,335.2723585,282.7770203,203.6783102,0,0,0,9.03661301,15.33641161,22.3114192,27.10726185,30.26836288,39.47300057,44.02318382,0,0,0,2.357580245,3.375067083,5.113386499,4.771451803,3.47088135,3.398830828,2.913355737,0,0,0,173.6281861,322.578945,445.7260584,579.6521705,741.5378524,1034.07163,1211.685258,0,0,0,3.194995143,4.601016549,7.29049443,7.770231032,6.472098507,7.026809291,6.552566751,0,0,0,0.485493369,0.699861528,1.062734701,1.013251001,0.759959437,0.762638685,0.670982835,0,0,0,300.4174155,137.3697178,9.88395895,99.40918726,-45.45612636,-4.536823692,201.0082282,182.8258441,14.42078264,0.751369252,0.343573231,0.024720614,0.248630748,-0.1136896,-0.011346978,120.1148746,54.92406758,3.951869729,39.74643763,-18.17456858,-1.813942804,0.135669539,0.127550598,3.232387278,1.676721019,399.8266028,0,1,0,733.4098266,27.08154033,9.018110965,869.4529563,29.48648769,9.544401409,1326.978677,36.42771853,10.9889108,1.401189173,1.380747812,623.5093488,394.2647408,242.7310989,1.581448413,2.568724616,1.624286062,4.27907042,4.288153178,6.664765497,0.554227478,4.068044056,5.849592127,7.414163714,11.84599185,2.170232746,4.161435662,9.574914906,8.790058298,3.775262925,8.284653087,2.451060082,2.574079702,2.73E-05,7.61E-31,4.94E-78,6.44E-147,1.67E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,0.341512356,4.876977926,0.306571399,7.255657378,0.886922934,0.56293831,0.915481107,0.55199714,1.389157888,0.317688322,0.129364959,0.018130078,1.93E-07,5.36E-33,3.48E-80,4.54E-149,1.17E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,1.102176923,4.94197035,1.196998069,8.043898828,1.010293532,1.247607553,2.679816282,1.9035328,1.860022487,1.20507882,0.467855704,0.18892449,2.01E-06,5.58E-32,3.62E-79,4.73E-148,1.22E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,3.839908455,5.742807755,6.78079655,11.51235427,2.042644322,3.92349914,9.043644413,8.168977034,3.62345969,7.535545206,2.261021618,2.293459101,2.44E-05,6.78E-31,4.40E-78,5.74E-147,1.48E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,1.624349301,5.026236067,1.974637806,8.629166949,1.136130938,1.732416223,3.891939054,2.92931188,2.188063511,2.033620535,0.740427018,0.410367701,4.36E-06,1.21E-31,7.87E-79,1.03E-147,2.65E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.912727499,6.298605917,9.984330066,13.14104833,2.698299593,5.062435376,11.54327179,11.222207,4.343825232,11.35503522,3.209080587,3.754051294,3.99E-05,1.11E-30,7.20E-78,9.39E-147,2.43E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,2.335014304,4.887965987,2.818577711,9.129813534,1.417910996,2.354250379,5.268687104,4.208225859,2.810436307,3.224387025,1.121813862,0.738736937,7.85E-06,2.18E-31,1.42E-78,1.85E-147,4.78E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.459063589,2.718822548,0.278742959,0.597999918,0.364618182,0.561871519,0.55573595,0.333324277,7.456629096,14.12418785,24.96013006,0.443927151,1.450931747,2.889561782,1.792668771,0.050248333,0.610581019,0.378801219,0.235943286,0.241412812,0.010831774,4.732478887,5.41530145,10.40806807,0.484073357,0.488187872,3.446984207,2.121650915,0.131404843,0.604729831,0.372216849,0.335750902,0.338285382,0.07407647,5.700039964,8.045042817,14.70608545,0.465420021,0.748112754,4.412808745,2.691532688,0.27200943,0.598237371,0.364886749,0.550274264,0.54462877,0.317414672,7.376350863,13.80966685,24.41673328,0.44468618,1.412317707,3.721287779,2.283515969,0.171339114,0.602526182,0.369731727,0.391315245,0.391925144,0.125942143,6.176142861,9.526477821,17.15859538,0.458386864,0.909182532,4.606824878,2.805998915,0.300253133,0.597274593,0.363797605,0.599729423,0.591968136,0.386753641,7.713076926,15.15246917,26.74684196,0.441608297,1.578451199,4.41663043,2.695280839,0.271766615,0.598161309,0.365032289,0.551227584,0.546144957,0.316848222,7.383677884,13.83683943,24.45564323,0.444790397,1.414220762 +UMLMON0086,L,"1,2,3,4-tetramethylbenzene",CC1=C(C(=C(C=C1)C)C)C,10263,Sandia values from independent api report ,Sandia,,C10H14,PubChem,,100,0,-0.4538,0.20593444,32.1476,26.508688,0,0,25,9,16,0,9,0,0,0,0,0,0,0,0,0,1314.634113,1636.354618,2294.187013,1860.554817,1025.27578,226.227456,16.257024,0,0,4308.992027,6070.954879,9624.35089,9761.491825,6714.127363,2830.465684,497.3399109,0,0,175.360068,189.287272,387.055444,575.875908,514.026256,328.87296,107.495424,0,0,32.21390648,45.70570896,77.22849687,86.98982388,65.02217111,32.04432192,7.113806478,0,0,4099.831637,3717.904324,8148.916816,13241.15321,12370.37952,8367.325628,2958.682432,0,0,35.30555556,44.69444444,83.58333333,112.0833333,95.33333333,56,16,0,0,52.58536452,62.93671608,42.48494469,22.68969289,13.85507811,4.713072,1.016064,0,0,172.3596811,233.4982646,178.2287202,119.0425832,90.73145085,58.96803508,31.08374443,0,0,7.01440272,7.280279692,7.167693407,7.022876927,6.946300757,6.85152,6.718464,0,0,1.288556259,1.757911883,1.43015735,1.060851511,0.878677988,0.66759004,0.444612905,0,0,163.9932655,142.9963202,150.905867,161.4774782,167.1672908,174.3192839,184.917652,0,0,1.412222222,1.719017094,1.547839506,1.366869919,1.288288288,1.166666667,1,0,0,0.032689768,9.45E-04,-0.010540219,-0.011916387,-0.007080945,0.001037499,0.011209674,0,0,697.3402118,49.58863729,-193.89932,-326.006549,-185.1825674,55.78721695,251.0424763,0,0,1296.733901,92.21218854,-360.5640654,-606.2230989,-344.3548916,103.7387121,466.8242045,0,0,0.13660416,0.009714074,-0.037983546,-0.063862445,-0.036275994,0.010928333,0.049177498,0,0,5.797003881,0.412231387,-1.611889135,-2.710099314,-1.539426586,0.46376031,2.086921397,0,0,31.48941709,2.239247437,-8.755807362,-14.72130249,-8.362189648,2.519153367,11.33619015,0,0,1.277777778,-0.027777778,-0.416666667,-0.305555556,-0.333333333,-2.13E-15,0.444444444,0,0,0.001307591,3.64E-05,-1.95E-04,-1.45E-04,-9.57E-05,2.16E-05,7.01E-04,0,0,27.89360847,1.90725528,-3.590728148,-3.975689622,-2.502467127,1.162233686,15.69015477,0,0,51.86935606,3.546622636,-6.677112322,-7.392964621,-4.653444481,2.161223169,29.17651278,0,0,0.005464166,3.74E-04,-7.03E-04,-7.79E-04,-4.90E-04,2.28E-04,0.003073594,0,0,0.231880155,0.015855053,-0.029849799,-0.033049992,-0.020803062,0.009661673,0.130432587,0,0,1.259576683,0.086124901,-0.162144581,-0.179528079,-0.113002563,0.052482362,0.708511884,0,0,0.051111111,-0.001068376,-0.007716049,-0.003726287,-0.004504505,-4.44E-17,0.027777778,0,0,0.027810801,-0.149273952,-0.111137064,-0.073179206,0.016530075,0.535798092,0,0,0.068376068,-0.128729424,-0.142530488,-0.089714715,0.041666667,0.5625,0,0,0.068376068,-0.128729424,-0.142530488,-0.089714715,0.041666667,0.5625,0,0,0.068376068,-0.128729424,-0.142530488,-0.089714715,0.041666667,0.5625,0,0,0.068376068,-0.128729424,-0.142530488,-0.089714715,0.041666667,0.5625,0,0,0.068376068,-0.128729424,-0.142530488,-0.089714715,0.041666667,0.5625,0,0,-0.02090301,-0.150966184,-0.07290562,-0.08813161,-8.68E-16,0.543478261,0,0,1.324640892,1.296708336,1.064707939,0.976186375,0.749855528,1.12E-05,0,0,1.282051282,1.311728395,1.117886179,0.957207207,0.694444444,0,0,0,1.282051282,1.311728395,1.117886179,0.957207207,0.694444444,0,0,0,1.282051282,1.311728395,1.117886179,0.957207207,0.694444444,0,0,0,1.282051282,1.311728395,1.117886179,0.957207207,0.694444444,0,0,0,1.282051282,1.311728395,1.117886179,0.957207207,0.694444444,0,0,0,1.384615385,1.275362319,1.011664899,1.008225617,0.782608696,0,0,0,35.59903787,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,7.11E-15,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,35.59903787,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,7.11E-15,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,35.59903787,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,7.11E-15,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,35.59903787,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,7.11E-15,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,35.59903787,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,7.11E-15,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,35.59903787,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,7.11E-15,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,36.58903364,18.28371435,26.68856135,36.5722298,4.063581089,18.2837144,-0.021604938,0.022535415,0.002503935,-3.413400471,50.36303448,5.59589272,3.527331717,0,11.9,12.1001487,-0.143946152,0.056549044,7.085701657,8.883942587,10,26,26,26,10,0,0,0,0,0,17.491312,3.757016578,3.185740805,2.836535512,2.426823824,2.211521199,1.471562475,1.264336079,1.097426256,1.975583004,1.736867412,1.43155352,1.297400688,0.831860552,0.652372991,0.557335073,0.506896178,3.778025097,3.219122453,2.873988597,2.471405742,2.270331117,1.567464496,1.375175843,1.217823822,1.924857425,1.671206629,1.355702341,1.206321902,0.703616534,0.509946975,0.40372359,0.358223075,3.870677717,3.36565678,3.040966006,2.67159666,2.527073578,1.963578043,1.821612731,1.692718987,1.77821677,1.476798391,1.131037214,0.929366266,0.287136914,0.036317866,0.122756992,0.144554024,3.793511123,3.243713977,2.901740099,2.504548574,2.313682742,1.636939095,1.454763952,1.303579765,1.892791218,1.629263384,1.307200637,1.147433606,0.618562076,0.414667209,0.299950047,0.258217256,3.916082484,3.436619162,3.122867834,2.769963884,2.648713072,2.139055753,2.0143456,1.893983416,1.733216136,1.415931034,1.061021449,0.841041762,0.14496987,0.129746103,0.315526022,0.325079404,3.819116945,3.322085838,2.972369601,2.572593891,2.431032163,1.806235052,1.645724075,1.49875441,1.841206195,1.534339337,1.215541955,1.016724357,0.431848347,0.210590008,0.07011568,0.051423302,0,0,0,0,0,0,7,2,0,0,0,0.11785113,0.25,0.294627825,0,0,0.11785113,0.25,0.294627825,0.333333333,0,0.083333333,0,0.333333333,0,0.083333333,0,0.942809042,1.5,1.414213562,0.942809042,1.5,1.414213562,6.104448007,4.466326495,3.735520021,3.216326495,2.686765231,1.779039102,0.936856351,0.560395406,0.678272001,0.44663265,0.287347694,0.189195676,0.127941201,0.088951955,0.06245709,0.043107339,6.104448007,4.466326495,3.735520021,3.216326495,2.686765231,1.779039102,0.936856351,0.560395406,0.678272001,0.44663265,0.287347694,0.189195676,0.127941201,0.088951955,0.06245709,0.043107339,13.33462243,24.10269483,22.80392157,23.08,15.38843593,190.9687353,0.533384897,0.964107793,0.912156863,0.9232,0.615537437,7.638749413,2.9767,39.299,55.16228989,65.35541437,110.3245798,12.25828664,55.16228989,8.33E-16,9.25E-17,-31.24970779,2000024.663,222224.9625,13.05780306,70,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,0,0,10.83564815,0,0,0,2.331018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.528935185,0,0,0,1.165509259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.560185185,0,0,0,1.165509259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.16666667,1.462962963,0.2,1.560185185,0.2,1.165509259,6.213465278,0.167824074,0.060185185,0.671296296,0.167824074,0.060185185,0.671296296,4.5,0.5,0,0,0.444,0.7,0.444,0.444,0.7,0,0,0,0,0.71429,0,0,0,0.22222,0,5,0.55556,5,0.55556,0,0,-5,-0.55556,0,0,9.28813,1.03201,9.28813,0,0,4.46631,0.49626,4.46631,0,0,-0.05231,-0.00581,0.11969,0.0133,0.36,28,0,0,0,0,0,0,1,0.942683189,1.217796812,1.841541933,2.50346519,2.72385619,2.98346519,23.56707973,30.44492029,46.03854833,62.58662974,68.09640474,74.58662974,0.202995776,0.26223827,0.396554471,0.539091886,0.586550504,0.642454259,3.701173001,3.426059378,2.802314256,2.140391,1.92,1.660391,0.200552128,0.259081466,0.391780779,0.532602339,0.579489655,0.634720445,6.78267514,10.08403861,13.74500857,15.62339962,15.84551518,17.86590363,35.24630968,31.68844423,27.39890701,26.01923289,25.32951093,22.03889308,5.76,2.319526627,0.996539792,0,0,0,2.45,1.1595,0,0,0,0,9.480406828,8.052870517,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.093,0.104,0.349,0.426,4.521,13,17,21,20,15,13,11,0,0,129,2.397895273,2.63905733,2.890371758,3.091042453,3.044522438,2.772588722,2.63905733,2.48490665,0,0,4.86753445,1,0.25,2,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,3,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,4,0.333333333,1,0.888888889,0.319444444,0.097222222,0,0,0,0,0,0,0.1,0.068376068,0.035493827,0.024305556,0,0,0,0,0,0,0.228175451,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,0,139.5074029,4.169925001,3.850147602,4.672828834,5.509388337,6.34738921,7.189167738,8.030409562,8.873047799,9.715168044,10.55791989,83.74546702,3.044522438,0,4.290459441,2.397895273,5.752572639,4.59511985,7.311218384,6.580639137,8.914760527,9.22818029,124.1252005,4.96500802,18.55905426,2.06211714,0,0,0,79,9,4.659,46,1.272680158,2.19999067,2.936400952,3.70316544,4.762300145,5.658319767,0,0,0,0,93.08468263,102.0204499,75.10854336,59.15434542,23.65307473,5.749215016,0,0,0,0,327.5108143,414.9502347,373.9081177,365.8935197,289.9347788,175.8817656,0,0,0,0,9.307022084,15.81426105,20.67767258,25.821262,32.67247124,38.01521766,0,0,0,0,2.401887919,3.28096582,3.264089964,3.459198828,3.252122761,2.515761988,0,0,0,0,179.4014472,328.8205534,470.150399,611.5582834,826.6976944,1046.323206,0,0,0,0,2.249236299,3.468338644,4.092535634,4.904410506,5.610475795,5.658319767,0,0,0,0,0.494994897,0.685915587,0.695154994,0.746713678,0.721077474,0.579411944,0,0,0,0,327.0302396,141.2503531,8.757295062,22.95751557,-9.915771656,-1.108151158,304.072724,151.1661248,9.865446221,0.934404804,0.403586557,0.025021718,0.065595196,-0.028331767,-0.003166257,114.4565794,49.435894,3.06494604,8.034849336,-3.470398662,-0.387839336,0.069751166,0.121660512,0.682023088,0.229563543,349.9877551,0,1,0,617.3896052,24.84732592,8.515035006,772.3821825,27.79176465,9.175098787,1072.124848,32.74331761,10.23485719,1.291804449,1.291804449,482.3623102,358.7785721,169.8253988,1.344456854,2.840342572,2.112632001,3.952667972,3.825125894,6.567110489,0.716835124,4.462408856,8.454820593,2.899705854,24.95496679,15.84692099,9.447351984,10.96492913,13.82620236,6.704949586,3.311416384,2.288134363,1.77597268,7.27E-09,1.60E-38,6.79E-90,5.56E-163,8.77E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499054,8.454525282,0.168992311,8.853477332,1.328055248,0.579534635,0.695283816,0.755518587,0.270327378,0.125478113,0.01665327,0.012508321,5.12E-11,1.13E-40,4.78E-92,3.91E-165,6.18E-260,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928596,8.454545645,0.594426037,10.3913228,2.984610589,1.930023126,2.09317862,2.670438202,1.054209085,0.505496557,0.169317707,0.130346347,5.34E-10,1.17E-39,4.98E-91,4.08E-164,6.44E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149947,8.454788393,2.685849346,23.35057346,14.49569378,8.741871492,10.08917261,12.75960772,6.123685179,3.020752524,2.039056797,1.582359684,6.48E-09,1.43E-38,6.05E-90,4.95E-163,7.82E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738317,8.454571475,0.925655537,11.96626393,4.509875492,2.993562448,3.260146748,4.208577189,1.749557183,0.846624816,0.366457399,0.283129683,1.16E-09,2.55E-39,1.08E-90,8.86E-164,1.40E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004953,8.454955847,3.744526629,31.59776838,21.37491928,12.24404774,14.48797508,18.0778184,9.069822198,4.496186564,3.335274926,2.590089245,1.06E-08,2.33E-38,9.90E-90,8.11E-163,1.28E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,3.084038615,8.305215451,1.750017094,16.8288338,9.00747271,5.672161173,6.535856908,8.407207508,3.79410541,1.857624003,1.070725537,0.829792715,3.40E-09,7.48E-39,3.17E-90,2.60E-163,4.10E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,3.450433174,1.775106297,0.68734217,0.583545111,0.300210017,0.529416239,0.503596312,0.426984382,5.912881641,9.716619294,19.83939313,0.375317667,1.459996933,2.704235021,1.181816243,0.186215659,0.664061338,0.290210899,0.325194545,0.223557676,0.031194678,4.072266923,3.919552469,8.586947669,0.496092007,0.579946899,2.98979763,1.408780449,0.378074563,0.625918997,0.294930478,0.397499085,0.317446638,0.128857179,4.776652642,5.874958933,12.24404971,0.438878495,0.843802901,3.430830543,1.759512131,0.674186085,0.585013849,0.300026175,0.523417996,0.49480054,0.410757828,5.864528759,9.535844769,19.47015713,0.377520774,1.428976364,3.121551947,1.513533942,0.46655945,0.61187161,0.296675649,0.433304206,0.366312534,0.196393116,5.101645338,6.887117945,14.19305831,0.417807415,0.996009856,3.512199557,1.82424502,0.728793253,0.579070377,0.300770567,0.54853972,0.531819804,0.480170967,6.06523783,10.29627735,21.03097558,0.368605566,1.56053049,3.439628582,1.76485948,0.678095938,0.584713891,0.300014327,0.526105895,0.497801354,0.415567481,5.882583999,9.599603323,19.59854234,0.377070837,1.439474729 +UMLMON0087,L,hydrindan,C1CCC2CCCC2C1,10325, (cis) reported,UML,[1],C9H16,PubChem,,64.1,0,0.849,0.720801,41.158,22.50793,6,6,19,9,10,0,9,0,0,0,0,0,0,0,0,0,1308.537729,1563.71209,2120.623525,1624.338081,853.57306,158.493888,8.128512,0,0,4122.48956,5382.535181,7893.703283,7136.72533,4529.110611,1780.928074,248.6699554,0,0,135.049284,146.58148,260.53474,326.82618,253.934608,172.751616,53.747712,0,0,29.54622905,39.0244431,59.86042491,58.94299401,40.09970387,19.14249948,3.556903239,0,0,2990.325725,2799.169038,5265.53054,7156.429618,5725.049994,4241.400049,1479.341216,0,0,38.30555556,47.94444444,76.58333333,84.66666667,62.33333333,35,8,0,0,68.87040679,78.1856045,58.90620903,35.31169741,23.71036278,6.33975552,1.016064,0,0,216.9731347,269.1267591,219.2695357,155.1462028,125.8086281,71.23712296,31.08374443,0,0,7.107857053,7.329074,7.237076111,7.104916957,7.053739111,6.91006464,6.718464,0,0,1.555064687,1.951222155,1.662789581,1.281369435,1.113880663,0.765699979,0.444612905,0,0,157.3855645,139.9584519,146.2647372,155.5745569,159.0291665,169.656002,184.917652,0,0,2.016081871,2.397222222,2.127314815,1.84057971,1.731481481,1.4,1,0,0,0.042495238,0.002218087,-0.011305978,-0.01130795,-0.0181052,0.002803385,0.014450037,0,0,573.4705689,33.53629058,-86.1882668,-184.1142353,-258.2294375,-9.054798457,217.315163,0,0,1066.393011,62.36216439,-160.2707625,-342.3682825,-480.1886658,-16.83778438,404.1068252,0,0,0.112338947,0.006569529,-0.01688369,-0.036066715,-0.050585374,-0.001773773,0.042570548,0,0,4.767272928,0.278787891,-0.716484879,-1.530545519,-2.146666757,-0.07527273,1.806545531,0,0,25.89590221,1.514380246,-3.891957232,-8.313947551,-11.6607279,-0.408882666,9.813183995,0,0,3.18128655,0.619113573,-0.081794398,-0.70498615,-2.094952293,-0.36280394,1.034779932,0,0,0.002236591,1.11E-04,-3.14E-04,-2.46E-04,-5.03E-04,1.12E-04,0.001806255,0,0,30.18266152,1.676814529,-2.394118522,-4.002483376,-7.17303993,-0.362191938,27.16439537,0,0,56.12594795,3.118108219,-4.451965624,-7.44278875,-13.33857405,-0.673511375,50.51335315,0,0,0.005912576,3.28E-04,-4.69E-04,-7.84E-04,-0.001405149,-7.10E-05,0.005321319,0,0,0.250909101,0.013939395,-0.019902358,-0.033272729,-0.059629632,-0.003010909,0.225818191,0,0,1.362942221,0.075719012,-0.108109923,-0.18073799,-0.323909108,-0.016355307,1.226647999,0,0,0.167436134,0.030955679,-0.002272067,-0.015325786,-0.058193119,-0.014512158,0.129347492,0,0,0.049586319,-0.140416772,-0.10991055,-0.224861016,0.050136745,0.807592588,0,0,0.055555556,-0.079320988,-0.132608696,-0.237654321,-0.012,0.9,0,0,0.055555556,-0.079320988,-0.132608696,-0.237654321,-0.012,0.9,0,0,0.055555556,-0.079320988,-0.132608696,-0.237654321,-0.012,0.9,0,0,0.055555556,-0.079320988,-0.132608696,-0.237654321,-0.012,0.9,0,0,0.055555556,-0.079320988,-0.132608696,-0.237654321,-0.012,0.9,0,0,0.184880515,-0.013569751,-0.091532129,-0.347554126,-0.086672794,0.772518382,0,0,0.90107546,1.022318269,0.988202306,1.226937315,0.989934995,0.224951103,0,0,0.95,1.055555556,1.073913043,1.161111111,0.912,0,0,0,0.95,1.055555556,1.073913043,1.161111111,0.912,0,0,0,0.95,1.055555556,1.073913043,1.161111111,0.912,0,0,0,0.95,1.055555556,1.073913043,1.161111111,0.912,0,0,0,0.95,1.055555556,1.073913043,1.161111111,0.912,0,0,0,0.817279412,0.921185662,1.018182545,1.366498162,1.018455882,0,0,0,28.14939172,14.07469586,20.43865032,28.14939172,3.127710191,14.07469955,3.55E-15,0.14295299,0.015883666,-1.750715499,236.8524676,26.31694085,4.920693703,28.14939172,14.07469586,20.43865032,28.14939172,3.127710191,14.07469955,3.55E-15,0.14295299,0.015883666,-1.750715499,236.8524676,26.31694085,4.920693703,28.14939172,14.07469586,20.43865032,28.14939172,3.127710191,14.07469955,3.55E-15,0.14295299,0.015883666,-1.750715499,236.8524676,26.31694085,4.920693703,28.14939172,14.07469586,20.43865032,28.14939172,3.127710191,14.07469955,3.55E-15,0.14295299,0.015883666,-1.750715499,236.8524676,26.31694085,4.920693703,28.14939172,14.07469586,20.43865032,28.14939172,3.127710191,14.07469955,3.55E-15,0.14295299,0.015883666,-1.750715499,236.8524676,26.31694085,4.920693703,28.14939172,14.07469586,20.43865032,28.14939172,3.127710191,14.07469955,3.55E-15,0.14295299,0.015883666,-1.750715499,236.8524676,26.31694085,4.920693703,31.46619172,15.32665189,22.61988074,31.416809,3.490756556,15.32665299,-0.148148148,0.339557633,0.037728626,-0.972100429,46.44605376,5.16067264,3.454462354,0,11.9,12.1001487,-0.136013049,0.06484136,6.82275,8.573995955,10,20,17,14,4,3,0,0,0,6,10.93207,3.874742737,3.186632043,2.733390637,2.306789784,2.100002148,1.246116182,0.75322539,0.730315644,1.947517402,1.705424172,1.240737157,1.01051039,0.60356293,0.583924036,0.239916874,0.012160111,3.885811795,3.212730471,2.758321219,2.335813307,2.156159703,1.353783091,0.881703045,0.844436469,1.920092915,1.639677238,1.169965584,0.931752057,0.464767009,0.455658087,0.072342401,0.121893504,3.936693867,3.330283972,2.8784592,2.473080285,2.403309297,1.789300054,1.398517017,1.302020466,1.846772839,1.446879061,0.980512301,0.711961221,0.085123488,0.043359313,0.509265774,0.614388651,3.894075243,3.232122762,2.777249181,2.357696071,2.197700541,1.431292318,0.974204865,0.926539732,1.903335385,1.597820779,1.126400376,0.88248626,0.386465848,0.356226307,0.041405944,0.215389016,3.963008157,3.388834277,2.943131191,2.546023937,2.520822007,1.977054612,1.618439592,1.494302825,1.82581545,1.387282874,0.928131475,0.648220306,0.042838118,0.221661379,0.724687028,0.802160743,3.923769608,3.245654452,2.848260511,2.376036653,2.221987402,1.515214791,1.129938476,1.041927865,1.845567355,1.64148315,1.071946556,0.756372039,0.285235871,0.26062874,0.205370305,0.332021019,0,0,0,4,2,0,3,0,0,0,0,0.11785113,0.25,0.294627825,0,0,0.088388348,0.12983985,0.127672058,0.333333333,0,0.083333333,0,0.204124145,0,0.041666667,0,0.942809042,1.5,1.414213562,0.524377395,0.760310363,0.58528719,6.104448007,4.466326495,3.735520021,3.216326495,2.686765231,1.779039102,0.936856351,0.560395406,0.678272001,0.44663265,0.287347694,0.189195676,0.127941201,0.088951955,0.06245709,0.043107339,5.43072142,3.53445705,2.622263719,2.010616132,1.514565212,0.814809122,0.397590793,0.210790227,0.603413491,0.353445705,0.201712594,0.118271537,0.072122153,0.040740456,0.026506053,0.016214633,11.70913902,18.43918427,17.62745098,17.8,12.99277246,142.1120539,0.616270475,0.970483383,0.927760578,0.936842105,0.683830129,7.479581784,2.1753,38.467,55.16228989,65.35541437,110.3245798,12.25828664,55.16228989,3.33E-16,3.70E-17,-32.07436945,2000024.663,222224.9625,13.05780306,70,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,4,0,0,0,0,0,0,0,0,0,0,3,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.86935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.610694444,0,1.025416667,0,0,1.610694444,0,0,0,0,0,0,0,0,0,0,3.963981481,0,0,8.735092593,0,0,0,0,3.134259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.56712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.390972222,0,0.306805556,0,0,0.390972222,0,0,0,0,0,0,0,0,0,0,1.301759259,0,0,2.12912037,0,0,0,0,1.56712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.238425926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.414375,0,0.359305556,0,0,0.414375,0,0,0,0,0,0,0,0,0,0,1.360462963,0,0,2.238425926,0,0,0,0,1.56712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.83333333,1.759259259,0.414375,2.238425926,0.131944444,1.301759259,5.149283611,0.198240741,0.238425926,1.470185185,0.198240741,0.238425926,1.470185185,4.5,0.5,0,0,0.48947,0.7,0.444,0.444,0.7,0.04547,0.04547,0,0,0.71429,0,0,0,0.22222,0,11,1.22222,5,0.55556,6,0.66667,1,0.11111,0,0,5.05896,0.56211,9.28813,4.22917,0.46991,2.48601,0.27622,4.46631,1.9803,0.22003,-0.05231,-0.00581,0.11969,0.0133,0.473684211,28,0,0,0,0,0,0,0.333333333,0.998000884,2.378991987,2.879506461,3.090032777,3.090032777,3.090032777,18.96201679,45.20084775,54.71062276,58.71062276,58.71062276,58.71062276,0.234938304,0.560035919,0.677861487,0.727421258,0.727421258,0.727421258,3.24992663,1.868935527,1.368421053,1.157894737,1.157894737,1.157894737,0.220622795,0.52591122,0.636557317,0.68309726,0.68309726,0.68309726,6.618775012,17.57337413,20.39194725,20.60412094,20.60412094,20.60412094,32.44785067,25.94856356,22.22178931,21.69634614,21.69634614,21.69634614,5.76,2.319526627,0.996539792,0,6,0,2.45,1.0305,0,0,0,0,9.480406828,8.052870517,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.115,0.112,0.679,0.88,4.751,13,17,21,20,15,13,11,0,0,129,2.63905733,3.157000421,3.682609841,4.156928049,4.52517956,4.274928499,4.286599261,4.274928499,0,0,6.113474747,3.495397287,0.25,2,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,3,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,4,0.333333333,1,0.888888889,0.319444444,0.097222222,0,0,0,0,0,0,0.1,0.068376068,0.035493827,0.024305556,0,0,0,0,0,0,0.228175451,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,0,120.6980268,4.169925001,3.850147602,4.672828834,5.509388337,6.34738921,7.189167738,8.030409562,8.873047799,9.715168044,10.55791989,83.74546702,3.044522438,0,4.290459441,2.397895273,5.752572639,4.59511985,7.311218384,6.580639137,8.914760527,9.22818029,118.0782503,6.214644754,18.55905426,2.06211714,0,0,0,79,9,2.885,46,1.234938782,2.136671487,2.954928226,3.99660203,4.992498829,5.987118636,0,0,0,0,104.9291459,135.1410274,114.8061128,100.6290122,32.09916131,6.08329571,0,0,0,0,351.9222906,491.7198632,490.3139461,524.652048,359.0297876,186.1020656,0,0,0,0,9.077755619,15.5026142,21.07475079,28.26100068,34.51461104,40.22424102,0,0,0,0,2.515806181,3.684501347,3.986907982,4.600559864,3.849772751,2.661950209,0,0,0,0,171.1717186,309.8845246,453.8239587,630.2391966,845.7232648,1107.123921,0,0,0,0,3.053334015,4.679637776,5.62012794,7.065764525,7.000456184,5.987118636,0,0,0,0,0.515955815,0.762714067,0.838143655,0.979529198,0.84653377,0.613080948,0,0,0,0,254.4920433,108.7317985,10.88254979,116.0140752,-49.56704693,-5.151820465,138.4779681,158.2988454,16.03437026,0.686876763,0.293468294,0.029372119,0.313123237,-0.133781993,-0.013904819,94.29085915,40.28579663,4.032051284,42.98392471,-18.36489416,-1.908781004,0.145200901,0.143908275,3.498021909,1.75597982,370.5061185,0,1,0,777.9247291,27.89130203,9.196993067,875.6443391,29.59128823,9.567003102,1283.456464,35.82536063,10.8674349,1.240812914,1.171154257,428.2530259,309.9090564,128.332611,1.381866767,3.337055347,2.414889356,3.700384901,3.843827416,6.243179937,0.624209222,3.115752906,1.883914241,15.16028165,6.059289579,13.31897484,5.687062243,3.657343393,3.368426825,6.845137054,1.7854586,0.053101469,0.003267822,2.25E-25,3.72E-69,1.24E-134,8.07E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.261588035,1.883787478,1.254382012,3.43005419,0.837902296,3.49784997,1.226611374,2.084560729,0.062305149,0.146111489,3.74E-04,2.30E-05,1.59E-27,2.62E-71,8.71E-137,5.69E-224,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844183934,1.883796246,3.669553862,3.605758504,2.879771795,3.905389699,1.711726971,2.337007855,0.538605287,0.47412329,0.003897348,2.40E-04,1.65E-26,2.73E-70,9.07E-136,5.92E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.941022978,1.883900429,14.1592163,5.770627373,12.37596308,5.539128295,3.504627082,3.286427175,6.108598632,1.682759168,0.047312453,0.002911571,2.01E-25,3.32E-69,1.10E-134,7.19E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.244117754,1.883807344,5.453185716,3.833556051,4.431628783,4.196829404,2.048024187,2.513160473,1.135239854,0.70125691,0.00846556,5.21E-04,3.59E-26,5.93E-70,1.97E-135,1.29E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.762699184,1.883972253,19.03681294,7.273072173,17.01368389,6.250591033,4.227221122,3.675897661,9.937017415,2.168365012,0.077443501,0.004765812,3.28E-25,5.43E-69,1.80E-134,1.18E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.743090284,1.994302543,7.220535775,4.452636119,6.403914329,4.550191212,2.520581171,2.679374455,2.250012487,0.857642358,0.017157217,0.001055842,7.27E-26,1.20E-69,4.00E-135,2.61E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.729887615,1.828070464,0.260803998,0.641010505,0.314168278,0.561613568,0.516026417,0.315811121,5.818762077,8.268035069,15.86508852,0.461515757,1.393451107,2.635037293,1.04445386,0.042268017,0.708008544,0.280634456,0.280304148,0.168444507,0.008295159,3.721759171,2.907699669,6.745787816,0.562012817,0.457043813,2.997671529,1.304006074,0.114651594,0.678769946,0.295269219,0.36276041,0.262568156,0.061032392,4.416329197,4.402176075,9.266676276,0.518154919,0.686360958,3.694121954,1.802472466,0.25366511,0.642426996,0.313459324,0.550894922,0.501675997,0.298758632,5.750259531,8.052847339,15.49214948,0.463640493,1.351329551,3.186188843,1.43893386,0.152280361,0.666929041,0.301195826,0.409819907,0.319717163,0.107668246,4.777403064,5.289030366,10.76459549,0.500393561,0.837205315,3.845741847,1.910988799,0.283928677,0.636642731,0.316354341,0.597043126,0.563900363,0.3742978,6.040659322,8.983670508,17.11096983,0.454964096,1.535241289,3.700962461,1.80525726,0.253944738,0.64250986,0.31340377,0.552937162,0.503227337,0.299417651,5.760164458,8.079464873,15.53628221,0.46376479,1.35558215 +UMLMON0088,L,"2,3-dihydroindene",C1CC2=CC=CC=C2C1,10326,"""hydrindene""; ""2,3-dihydroindene""","Sandia, UML",[1],C9H10,PubChem,,89.8,0,1.8744,3.51337536,19.5676,11.040758,0,0,10,4,6,0,4,0,0,0,0,0,0,0,0,0,583.152868,505.434891,367.267154,216.906649,72.642528,9.144576,0,0,0,1880.570074,1958.970403,1721.955968,1111.9366,688.4196982,279.7536999,0,0,0,70.472848,65.32734,98.097608,50.246308,42.705792,60.466176,0,0,0,13.82327743,15.04796586,14.92674329,9.47016586,6.68126586,4.001516144,0,0,0,1616.683337,1299.118355,2281.829911,1045.529642,918.7352863,1664.258868,0,0,0,26.5,28.25,31,19,12,9,0,0,0,58.3152868,56.15943233,26.23336814,30.98666414,12.107088,1.016064,0,0,0,188.0570074,217.6633782,122.9968549,158.8480857,114.7366164,31.08374443,0,0,0,7.0472848,7.258593333,7.006972,7.178044,7.117632,6.718464,0,0,0,1.382327743,1.671996207,1.066195949,1.352880837,1.11354431,0.444612905,0,0,0,161.6683337,144.3464838,162.9878508,149.3613775,153.1225477,184.917652,0,0,0,2.65,3.138888889,2.214285714,2.714285714,2,1,0,0,0,0.030619665,0.011320168,-0.01473129,-0.023225907,-5.79E-04,0.011905739,0,0,0,290.5584216,-43.58376324,29.05584216,-130.7512897,-174.335053,174.335053,0,0,0,540.3057923,-81.04586884,54.03057923,-243.1376065,-324.1834754,324.1834754,0,0,0,0.0569184,-0.00853776,0.00569184,-0.02561328,-0.03415104,0.03415104,0,0,0,2.415418284,-0.362312743,0.241541828,-1.086938228,-1.44925097,1.44925097,0,0,0,13.12059045,-1.968088568,1.312059045,-5.904265704,-7.872354271,7.872354271,0,0,0,4,0.5,-0.5,-2.75,-1.5,2.25,0,0,0,0.003061967,0.001257796,-0.001052235,-0.003317987,-9.64E-05,0.00132286,0,0,0,29.05584216,-4.84264036,2.075417297,-18.67875567,-29.05584216,19.37056144,0,0,0,54.03057923,-9.005096538,3.859327088,-34.73394379,-54.03057923,36.02038615,0,0,0,0.00569184,-9.49E-04,4.07E-04,-0.00365904,-0.00569184,0.00379456,0,0,0,0.241541828,-0.040256971,0.017252988,-0.15527689,-0.241541828,0.161027886,0,0,0,1.312059045,-0.218676508,0.093718503,-0.843466529,-1.312059045,0.87470603,0,0,0,0.4,0.055555556,-0.035714286,-0.392857143,-0.25,0.25,0,0,0,0.410780593,-0.343646795,-1.083612989,-0.031490812,0.432029509,0,0,0,-0.166666667,0.071428571,-0.642857143,-1,0.666666667,0,0,0,-0.166666667,0.071428571,-0.642857143,-1,0.666666667,0,0,0,-0.166666667,0.071428571,-0.642857143,-1,0.666666667,0,0,0,-0.166666667,0.071428571,-0.642857143,-1,0.666666667,0,0,0,-0.166666667,0.071428571,-0.642857143,-1,0.666666667,0,0,0,0.138888889,-0.089285714,-0.982142857,-0.625,0.625,0,0,0,0.501147689,1.511233744,2.569952971,0.22378793,0,0,0,0,1.25,0.803571429,1.607142857,1.875,0,0,0,0,1.25,0.803571429,1.607142857,1.875,0,0,0,0,1.25,0.803571429,1.607142857,1.875,0,0,0,0,1.25,0.803571429,1.607142857,1.875,0,0,0,0,1.25,0.803571429,1.607142857,1.875,0,0,0,0,0.8125,1.125,2.169642857,1.125,0,0,0,0,7.743848737,3.871924369,6.259350255,7.743848737,1.935962184,3.915667798,-1.33E-15,1.11E-16,2.78E-17,-14.69472023,15.94189626,3.985474065,1.107580251,7.743848737,3.871924369,6.259350255,7.743848737,1.935962184,3.915667798,-1.33E-15,1.11E-16,2.78E-17,-14.69472023,15.94189626,3.985474065,1.107580251,7.743848737,3.871924369,6.259350255,7.743848737,1.935962184,3.915667798,-1.33E-15,1.11E-16,2.78E-17,-14.69472023,15.94189626,3.985474065,1.107580251,7.743848737,3.871924369,6.259350255,7.743848737,1.935962184,3.915667798,-1.33E-15,1.11E-16,2.78E-17,-14.69472023,15.94189626,3.985474065,1.107580251,7.743848737,3.871924369,6.259350255,7.743848737,1.935962184,3.915667798,-1.33E-15,1.11E-16,2.78E-17,-14.69472023,15.94189626,3.985474065,1.107580251,7.743848737,3.871924369,6.259350255,7.743848737,1.935962184,3.915667798,-1.33E-15,1.11E-16,2.78E-17,-14.69472023,15.94189626,3.985474065,1.107580251,7.520324533,3.735162266,6.187108678,7.495324533,1.873831133,3.787698375,-0.05,5.55E-16,1.39E-16,-14.05094506,20.31590073,5.078975182,1.204561547,0,11.89,12.11003668,-0.176189995,0.067113251,4.530135677,5.049275898,3,9,8,8,2,0,0,1,0,1,6.559242,3.400513416,2.531886774,1.760365009,0.083923071,0.083923071,0.083923071,0.083923071,0.475084824,1.704929687,1.344904547,0.475084824,0.083923071,0.083923071,0.083923071,0.083923071,1.760365009,3.415990081,2.592811184,1.825844668,0.270913902,0.270913902,0.270913902,0.270913902,0.403567469,1.65038062,1.238870039,0.403567469,0.270913902,0.270913902,0.270913902,0.270913902,1.825844668,3.492386447,2.851618157,2.084755963,0.943918427,0.943918427,0.943918427,0.943918427,0.13039599,1.509354548,0.901173176,0.13039599,0.943918427,0.943918427,0.943918427,0.943918427,2.084755963,3.427824023,2.637277489,1.872621411,0.399277246,0.399277246,0.399277246,0.399277246,0.35275281,1.617298242,1.169117381,0.35275281,0.399277246,0.399277246,0.399277246,0.399277246,1.872621411,3.53481504,2.97117166,2.192531824,1.207644823,1.207644823,1.207644823,1.207644823,0.023887197,1.471690447,0.787651234,0.023887197,1.207644823,1.207644823,1.207644823,1.207644823,2.192531824,3.471487278,2.594901666,1.897088394,0.444444444,0.444444444,0.444444444,0.444444444,0.282547883,1.599960146,1.192080419,0.282547883,0.444444444,0.444444444,0.444444444,0.444444444,1.897088394,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,3,1.25,0.5,0.25,0,0,0,0,0.75,0.416666667,0.25,0.25,0,0,0,0,5.625483411,9.663510561,9.176470588,9.28,6.395663473,75.82745988,0.562548341,0.966351056,0.917647059,0.928,0.639566347,7.582745988,1.10919,18.479,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.761111111,0,0,0,0,0,0,0,0,0,0,3.638888889,0,0,0,0,0,0,0,5.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.680555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380555556,0,0,0,0,0,0,0,0,0,0,1.819444444,0,0,0,0,0,0,0,2.680555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.680555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380555556,0,0,0,0,0,0,0,0,0,0,1.819444444,0,0,0,0,0,0,0,2.680555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,2.25,0.380555556,2.680555556,0.319444444,1.819444444,2.242138889,0.180555556,0.180555556,0.722222222,0.180555556,0.180555556,0.722222222,2,0.5,0,0,0.46,0.7,0.41429,0.41429,0.7,0.04571,0.04571,0,0,0.71429,0,0,0.5,0,0,3.5,0.875,1.5,0.375,2,0.5,0.5,0.125,0,0,1.72476,0.43119,2.95465,1.22989,0.30747,0.98317,0.24579,1.91421,0.93104,0.23276,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3,0,0,0,0,0,0,1,0.970950594,1.370950594,1.370950594,1.370950594,0.906564975,0.442179356,9.709505945,13.70950594,13.70950594,13.70950594,9.065649755,4.421793565,0.292285253,0.412697252,0.412697252,0.412697252,0.272903251,0.13310925,2.3509775,1.9509775,1.9509775,1.9509775,2.415363119,2.879748738,0.280667665,0.396293595,0.396293595,0.396293595,0.262056047,0.127818499,6.79089428,11.59089428,11.59089428,11.59089428,6.018266852,0.445639424,15.34358585,13.79833099,13.79833099,13.79833099,8.225703567,2.653076139,4,3,4,4,2,4,1.9,0.5862,0.333333333,2.828427125,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.113,0.096,0.161,0.08,1.104,2,1,0,0,0,0,0,0,0,10,1.791759469,1.945910149,1.386294361,0,0,0,0,0,0,0,2.944438979,1.8,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,0,72.4674798,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,54.04695019,5.404695019,6.871320344,1.717830086,0,0,0,10,1,1.616,10,1.203333333,2.069423843,3.346668694,4.626074073,5.07790647,0,0,0,0,0,75.53730712,66.99667523,118.9064125,56.00828589,5.15947796,0,0,0,0,0,280.5170334,290.1792839,567.1362628,530.7800862,157.840347,0,0,0,0,0,8.759974325,14.57855808,24.07118681,32.92669285,34.11573182,0,0,0,0,0,2.112862411,2.42199331,4.720389142,5.151338461,2.257702746,0,0,0,0,0,172.1113933,331.7087086,496.834058,708.3562479,938.9945417,0,0,0,0,0,3.959,4.955730282,9.256386021,9.252148145,5.07790647,0,0,0,0,0,0.43758,0.512375655,0.994489058,1.110257777,0.519977623,0,0,0,0,0,271.5260205,59.25426721,9.875711201,246.1171463,-53.70936873,-12.88539825,25.40887413,112.9636359,22.76110945,0.524542847,0.114469331,0.019078222,0.475457153,-0.103757515,-0.024892434,140.5535891,30.67256652,5.11209442,127.400859,-27.80228772,-6.670038355,0.166666667,0.487851597,8.18515786,35.13380937,517.6431668,0,1,0,231.3074059,15.2087937,6.138512992,289.4296223,17.01263126,6.614763571,279.6987447,16.72419638,6.539785526,2.449408055,2.449408055,151.2658901,151.2658901,6.741696998,1,22.43736112,22.43736112,2.497139722,3.21244681,5.188898202,0.615247974,1.684574703,1.828234863,2.279089353,0.072858351,0.065850242,0.001538536,0.099221555,1.22422073,0.545596875,3.76E-04,1.61E-28,1.33E-74,2.12E-142,6.50E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.151608527,1.828113291,0.166621973,0.07285737,0.005600691,1.29E-04,0.099221555,0.102744676,0.003843074,2.65E-06,1.13E-30,9.36E-77,1.49E-144,4.58E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.464519605,1.828121651,0.554116125,0.07285757,0.017898909,4.17E-04,0.099221555,0.33166056,0.040044727,2.76E-05,1.18E-29,9.75E-76,1.55E-143,4.77E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.590727612,1.828221599,2.134304064,0.072858291,0.062161808,0.001452252,0.099221555,1.155564314,0.486117261,3.35E-04,1.43E-28,1.18E-74,1.89E-142,5.79E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.67932325,1.828132276,0.833095773,0.072857708,0.02634125,6.14E-04,0.099221555,0.48880452,0.086981537,5.99E-05,2.56E-29,2.12E-75,3.37E-143,1.04E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.032048239,1.828290584,2.832719538,0.072858574,0.079506854,0.001858004,0.099221555,1.478425054,0.795700492,5.48E-04,2.35E-28,1.94E-74,3.09E-142,9.48E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.674889438,1.805629287,1.030489491,0.071958336,0.03255871,7.60E-04,0.078397278,0.483643065,0.107773225,7.42E-05,3.18E-29,2.62E-75,4.18E-143,1.28E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.472400638,0.33446763,0.33446763,0.869890769,0.065054616,0.813355632,0.4,0.4,5.141335898,3.103615079,8.745272155,0.804836153,1.613355632,2.736155522,0.06232777,0.06232777,0.956426504,0.021786748,0.304425224,0.013890407,0.013749746,2.860811061,0.344961693,3.216402036,0.934639756,0.332065377,3.36615408,0.161074034,0.161074034,0.912656812,0.043671594,0.46075182,0.092769,0.092588076,3.688302148,1.110344879,4.885981371,0.868985218,0.646108896,4.422864947,0.326703383,0.326703383,0.871282153,0.064358924,0.795438181,0.374345698,0.374345698,5.076271713,2.996664981,8.545011628,0.806923229,1.544129578,3.670682993,0.208806036,0.208806036,0.897851778,0.051074111,0.547889322,0.155897053,0.119826295,4.088295066,1.576521494,5.824858195,0.846777667,0.82361267,4.630002394,0.359170202,0.359170202,0.865689162,0.067155419,0.871688884,0.461267019,0.461267019,5.348342798,3.454921024,9.400549105,0.798533743,1.794222923,4.399120967,0.324772916,0.324772916,0.871343097,0.064328451,0.786920548,0.377147658,0.195025478,5.048666799,2.962908136,8.475582984,0.807014646,1.359093683 +UMLMON0089,L,dimethylacetylene,CC#CC,10419,"""dimethylacetylene""","Sandia, UML",[1],C4H6,PubChem,,70.2,0,1.9957,3.98281849,25.8352,15.46793,0,0,15,5,10,0,5,0,0,0,0,0,0,0,0,0,731.481245,698.127364,719.379028,497.39693,160.526016,18.289152,0,0,0,2428.421953,2841.433771,3235.924087,2890.807515,1843.095563,559.5073998,0,0,0,104.88722,101.338384,168.922192,156.236168,186.188544,120.932352,0,0,0,18.39062905,22.2910431,27.40610355,25.84189198,20.03172529,8.003032287,0,0,0,2483.148301,2038.402901,3855.784317,3411.424979,4611.235353,3328.517736,0,0,0,28.77777778,34,44,44,39,18,0,0,0,48.76541633,49.86624029,29.97412617,22.60895136,5.945408,1.016064,0,0,0,161.8947969,202.9595551,134.8301703,131.4003416,68.26279863,31.08374443,0,0,0,6.992481333,7.238456,7.038424667,7.101644,6.895872,6.718464,0,0,0,1.226041937,1.592217364,1.141920981,1.174631454,0.741915752,0.444612905,0,0,0,165.54322,145.6002072,160.6576799,155.0647718,170.7864946,184.917652,0,0,0,1.918518519,2.428571429,1.833333333,2,1.444444444,1,0,0,0,0.030208386,0.002141191,-0.007363347,-0.024577509,0.001278007,0.013417465,0,0,0,403.5533633,-53.80711511,40.35533633,-309.3909119,-121.066009,242.132018,0,0,0,750.4247115,-100.0566282,75.04247115,-575.3256121,-225.1274134,450.2548269,0,0,0,0.079053333,-0.010540444,0.007905333,-0.060607556,-0.023716,0.047432,0,0,0,3.354747616,-0.447299682,0.335474762,-2.571973172,-1.006424285,2.01284857,0,0,0,18.22304229,-2.429738973,1.822304229,-13.97099909,-5.466912688,10.93382538,0,0,0,2.992592593,-0.93382716,0.908148148,-2.092839506,-1.12,1.742222222,0,0,0,0.002013892,1.53E-04,-3.07E-04,-0.00111716,4.73E-05,7.45E-04,0,0,0,26.90355756,-3.843365365,1.681472347,-14.06322327,-4.483926259,13.45177878,0,0,0,50.0283141,-7.146902014,3.126769631,-26.15116419,-8.33805235,25.01415705,0,0,0,0.005270222,-7.53E-04,3.29E-04,-0.002754889,-8.78E-04,0.002635111,0,0,0,0.223649841,-0.031949977,0.013978115,-0.116907871,-0.037274974,0.111824921,0,0,0,1.214869486,-0.173552784,0.075929343,-0.635045413,-0.202478248,0.607434743,0,0,0,0.199506173,-0.06670194,0.037839506,-0.095129068,-0.041481481,0.096790123,0,0,0,0.075943586,-0.152344849,-0.554726506,0.023503541,0.370136317,0,0,0,-0.142857143,0.0625,-0.522727273,-0.166666667,0.5,0,0,0,-0.142857143,0.0625,-0.522727273,-0.166666667,0.5,0,0,0,-0.142857143,0.0625,-0.522727273,-0.166666667,0.5,0,0,0,-0.142857143,0.0625,-0.522727273,-0.166666667,0.5,0,0,0,-0.142857143,0.0625,-0.522727273,-0.166666667,0.5,0,0,0,-0.334335219,0.189665842,-0.476822682,-0.207920792,0.485148515,0,0,0,1.199472011,1.386406537,1.775316849,0.588015063,1.43E-05,0,0,0,1.5,0.9625,1.622727273,0.933333333,0,0,0,0,1.5,0.9625,1.622727273,0.933333333,0,0,0,0,1.5,0.9625,1.622727273,0.933333333,0,0,0,0,1.5,0.9625,1.622727273,0.933333333,0,0,0,0,1.5,0.9625,1.622727273,0.933333333,0,0,0,0,1.726485149,0.703898515,1.630288029,1.03960396,0,0,0,0,12.59144058,6.295720288,9.123201958,12.59144058,2.518288115,6.299815432,-1.78E-15,0.025578131,0.005115626,-1.833008777,16.75409987,3.350819973,1.409321498,12.59144058,6.295720288,9.123201958,12.59144058,2.518288115,6.299815432,-1.78E-15,0.025578131,0.005115626,-1.833008777,16.75409987,3.350819973,1.409321498,12.59144058,6.295720288,9.123201958,12.59144058,2.518288115,6.299815432,-1.78E-15,0.025578131,0.005115626,-1.833008777,16.75409987,3.350819973,1.409321498,12.59144058,6.295720288,9.123201958,12.59144058,2.518288115,6.299815432,-1.78E-15,0.025578131,0.005115626,-1.833008777,16.75409987,3.350819973,1.409321498,12.59144058,6.295720288,9.123201958,12.59144058,2.518288115,6.299815432,-1.78E-15,0.025578131,0.005115626,-1.833008777,16.75409987,3.350819973,1.409321498,12.59144058,6.295720288,9.123201958,12.59144058,2.518288115,6.299815432,-1.78E-15,0.025578131,0.005115626,-1.833008777,16.75409987,3.350819973,1.409321498,13.52544494,6.749389138,9.685484733,13.50944494,2.701888989,6.751858388,-0.026666667,0.042162406,0.008432481,-1.583113155,17.95256293,3.590512587,1.443866443,0,11.89,12.11005553,-0.173417077,0.049537652,5.301742651,7.065138513,4,14,13,13,3,1,1,0,0,1,10.93207,3.497040049,2.651869517,2.333552793,1.671971934,0.356070345,0.083923071,0.083923071,0.083923071,1.844031176,1.408750484,1.249629723,0.672400974,0.083923071,0.083923071,0.083923071,0.083923071,3.518085437,2.707494585,2.405454588,1.751802349,0.481023262,0.270913902,0.270913902,0.270913902,1.788895093,1.30824966,1.134540686,0.548519172,0.270913902,0.270913902,0.270913902,0.270913902,3.614795232,2.945683964,2.704236987,2.081423913,0.959218533,0.943918427,0.943918427,0.943918427,1.63490963,0.991666913,0.76031856,0.14278982,0.943918427,0.943918427,0.943918427,0.943918427,3.533814008,2.748193567,2.457539916,1.809545567,0.569417198,0.399277246,0.399277246,0.399277246,1.754477933,1.242410912,1.058262671,0.466249758,0.399277246,0.399277246,0.399277246,0.399277246,3.664326084,3.056830088,2.838982085,2.228586844,1.207644823,1.207644823,1.207644823,1.207644823,1.589649667,0.886510187,0.631337262,0.001402598,1.150753904,1.207644823,1.207644823,1.207644823,3.530483688,2.806087301,2.527114381,1.868779267,0.613411865,0.517241379,0.517241379,0.517241379,1.740350938,1.169007688,0.975390243,0.392162117,0.517241379,0.517241379,0.517241379,0.517241379,0,0,0,1,1,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.288675135,0,0,0,0.40824829,0,0,0.288675135,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,4.077350269,1.866025404,1.366025404,0.577350269,0,0,0,0,0.815470054,0.466506351,0.341506351,0.288675135,0,0,0,0,7.709139019,14.43918427,13.62745098,13.8,8.992772455,115.1412754,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.89869,24.835,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,3,0,1,0,0,0,0,0,0,0,0,3,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.462962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331944444,0,0,0,0.870833333,0,0.331944444,0,0,0,0,0,0,0,0,6.203703704,0,0,0,2.083333333,0,0,0,0,1.37962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.37962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331944444,0,0,0,0.290277778,0,0.331944444,0,0,0,0,0,0,0,0,2.037037037,0,0,0,2.083333333,0,0,0,0,1.37962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331944444,0,0,0,0.290277778,0,0.331944444,0,0,0,0,0,0,0,0,2.083333333,0,0,0,2.083333333,0,0,0,0,1.37962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.666666667,1.933333333,0.331944444,2.083333333,0.097222222,1.37962963,3.068805556,0.287037037,0.083333333,0.574074074,0.287037037,0.083333333,0.574074074,2.5,0.5,0,0,0.43333,0.7,0.41765,0.41765,0.7,0.01569,0.01569,0,0,0.71429,0,0,0.6,0.2,0,3,0.6,2,0.4,1,0.2,-1,-0.2,0,0,3.50831,0.70166,4.43249,0.92419,0.18484,1.61803,0.32361,2.27005,0.65201,0.1304,0.14395,0.02879,0.14395,0.02879,0,4,0,0,0,0,0,0,0.6,0.918295834,1.687943095,1.871602261,2.422579762,1.901661016,0.993156857,13.77443751,25.31914642,28.07403392,36.33869643,28.52491524,14.89735285,0.235045188,0.43204258,0.479051618,0.620078731,0.486745397,0.254206467,2.988594762,2.218947501,2.035288334,1.484310834,2.00522958,2.913733739,0.235045188,0.43204258,0.479051618,0.620078731,0.486745397,0.254206467,6.73287657,12.53178928,14.73569928,15.2909882,9.039963247,1.000928341,19.74937501,15.7245272,13.57936725,14.16553733,11.04002485,4.565784285,5,2.25,4,5,2,4,2.01,0.7701,1.144714243,1.889881575,2.381101578,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,2.186,4,2,0,0,0,0,0,0,0,15,1.791759469,2.079441542,1.609437912,0,0,0,0,0,0,0,3.091042453,1.4,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.75,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,0,92.39992313,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,70.07825032,4.671883355,8.696801932,1.739360386,0,0,0,18,2,2.372,16,1.199294861,2.069147807,3.035533242,3.665862874,4.244493343,0,0,0,0,0,69.75693924,73.04912602,74.00039688,22.77750228,4.312676884,0,0,0,0,0,266.6622848,311.2129086,413.7735706,257.6520978,131.9347463,0,0,0,0,0,8.712890055,14.63953344,21.58930139,25.31467977,28.51647572,0,0,0,0,0,2.035707459,2.56174015,3.655270906,2.779015891,1.887156515,0,0,0,0,0,172.6348307,326.9161713,468.4270876,623.2634339,784.8817431,0,0,0,0,0,3.027026626,4.033399372,6.186634625,5.383716066,4.244493343,0,0,0,0,0,0.422624373,0.540327396,0.778182128,0.611760957,0.434636118,0,0,0,0,0,264.2921107,80.07118298,7.877612661,95.22651662,-28.8502741,-5.734700382,169.0655941,108.9214571,13.61231304,0.735127725,0.222717759,0.021911556,0.264872275,-0.080246952,-0.015951052,95.01793683,28.78708179,2.83214849,34.23570654,-10.37221094,-2.061731609,0.187707827,0.291737422,4.177396507,8.394894879,359.5186273,0,1,0,270.9391488,16.46022931,6.47078923,371.2299077,19.26732747,7.187000126,387.6811933,19.68962146,7.291634837,1.366185992,1.162050534,192.7983454,139.8828763,62.52863628,1.378284109,3.083360791,2.237101024,3.26702714,3.212995232,5.291360521,0.646862239,4.144994086,3.099952019,1.342133078,5.707463885,4.54491705,6.794926374,2.51730455,3.115908412,1.98276274,0.025732023,3.10E-22,7.22E-64,3.24E-127,2.80E-212,4.68053E-319,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.34786551,3.093319822,0.108679681,3.852787428,1.205665275,0.302697058,0.412342279,0.185188019,0.013964825,1.81E-04,2.19E-24,5.09E-66,2.28E-129,1.97E-214,3.295E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.122940405,3.093763086,0.353438143,4.111378791,1.72838366,1.153441697,0.663420921,0.648091399,0.145523733,0.001888585,2.28E-23,5.30E-65,2.38E-128,2.06E-213,3.435E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.912536595,3.099223893,1.264140032,5.551474268,4.284278982,6.229629303,2.325261383,2.888620383,1.766605949,0.022926769,2.77E-22,6.43E-64,2.89E-127,2.50E-212,4.17026E-319,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.655005021,3.094337721,0.523540253,4.324520469,2.134392389,1.878327555,0.888805318,1.006039109,0.316096835,0.004102259,4.95E-23,1.15E-64,5.17E-128,4.47E-213,7.4614E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.005679543,3.103013673,1.633724246,6.333219348,5.573766399,9.078545149,3.300088832,4.01180809,2.891672902,0.037527737,4.53E-22,1.05E-63,4.73E-127,4.09E-212,6.8261E-319,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.217894098,2.938106492,0.62901952,4.651977939,2.637310277,2.676575327,1.172764841,1.401701647,0.530465881,0.006884311,8.30E-23,1.93E-64,8.67E-128,7.50E-213,1.2522E-319,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.855059061,1.457822529,0.317950926,0.616532568,0.314807872,0.572967044,0.505983963,0.399991232,4.630832516,5.533454116,11.48765225,0.424798851,1.478942239,1.927368755,0.829528085,0.068545206,0.682147687,0.29359232,0.262927158,0.16584188,0.018590217,2.825442047,1.787778575,4.722811143,0.52322153,0.447359254,2.295069456,1.079814021,0.167601063,0.647869999,0.304818273,0.371401128,0.279660085,0.111143436,3.54248454,3.043882235,7.001723804,0.471804999,0.762204649,2.832026083,1.442333708,0.311776343,0.617518975,0.314498669,0.563807317,0.495434858,0.384606484,4.586136135,5.417370948,11.27702823,0.426278462,1.443848659,2.459318181,1.191027377,0.211754335,0.636782644,0.308388548,0.42596065,0.339484856,0.177416866,3.862099893,3.702091778,8.184444529,0.455173966,0.942862372,2.927185861,1.506297195,0.337281897,0.613567403,0.315734942,0.602133734,0.53969994,0.4501076,4.770764952,5.904545425,12.16245771,0.420351104,1.591941274,2.832389185,1.442083139,0.311287284,0.617648858,0.314469851,0.563961616,0.495291808,0.383400826,4.585759609,5.415129568,11.27235475,0.426473287,1.44265425 +UMLMON0090,L,2-Methyl-2-Butene,CC=C(C)C,10553,,"Sandia, UML",[1],C5H10,PubChem,,84.7,0,2.3078,5.32594084,28.8584,17.22793,0,0,16,6,10,0,6,0,0,0,0,0,0,0,0,0,875.745366,842.391485,994.784118,819.198244,254.334528,25.4016,0,0,0,2851.938855,3264.950672,3937.13753,3988.799934,2667.737261,777.0936108,0,0,0,112.427736,108.8789,170.167128,172.514704,222.974208,167.9616,0,0,0,21.17952905,25.0799431,31.42574634,33.4264862,27.60624106,11.11532262,0,0,0,2609.942657,2165.197258,3771.33283,3569.628379,5281.462779,4622.941301,0,0,0,41.55555556,43.44444444,53.33333333,67.66666667,62,25,0,0,0,54.73408538,56.15943233,41.44933825,34.13326017,7.947954,1.016064,0,0,0,178.2461784,217.6633782,164.0473971,166.1999973,83.36678939,31.08374443,0,0,0,7.0267335,7.258593333,7.090297,7.188112667,6.967944,6.718464,0,0,0,1.323720566,1.671996207,1.309406097,1.392770258,0.862695033,0.444612905,0,0,0,163.121416,144.3464838,157.1388679,148.7345158,165.0457118,184.917652,0,0,0,2.597222222,2.896296296,2.222222222,2.819444444,1.9375,1,0,0,0,0.043717218,-0.009200838,0.011956837,-0.027175953,-0.033815446,0.036376791,0,0,0,453.9975338,-47.29140977,136.1992601,-378.3312781,-363.198027,425.6226879,0,0,0,844.2278004,-87.94039587,253.2683401,-703.523167,-675.3822403,791.4635629,0,0,0,0.088935,-0.009264062,0.0266805,-0.0741125,-0.071148,0.083376562,0,0,0,3.774091068,-0.393134486,1.13222732,-3.14507589,-3.019272855,3.538210376,0,0,0,20.50092258,-2.135512769,6.150276775,-17.08410215,-16.40073807,19.21961492,0,0,0,7.527777778,-3.404513889,3.263888889,-1.847222222,-7.027777778,5.251736111,0,0,0,0.002732326,-6.13E-04,4.98E-04,-0.001132331,-0.001056733,0.001455072,0,0,0,28.37484586,-3.152760651,5.674969172,-15.76380326,-11.34993834,17.02490752,0,0,0,52.76423752,-5.862693058,10.5528475,-29.31346529,-21.10569501,31.65854251,0,0,0,0.005558437,-6.18E-04,0.001111688,-0.003088021,-0.002223375,0.003335062,0,0,0,0.235880692,-0.026208966,0.047176138,-0.131044829,-0.094352277,0.141528415,0,0,0,1.281307661,-0.142367518,0.256261532,-0.71183759,-0.512523065,0.768784597,0,0,0,0.470486111,-0.226967593,0.13599537,-0.076967593,-0.219618056,0.210069444,0,0,0,-0.22449341,0.182336044,-0.414420288,-0.386752033,0.532539523,0,0,0,-0.111111111,0.2,-0.555555556,-0.4,0.6,0,0,0,-0.111111111,0.2,-0.555555556,-0.4,0.6,0,0,0,-0.111111111,0.2,-0.555555556,-0.4,0.6,0,0,0,-0.111111111,0.2,-0.555555556,-0.4,0.6,0,0,0,-0.111111111,0.2,-0.555555556,-0.4,0.6,0,0,0,-0.482410824,0.289052891,-0.163591636,-0.466789668,0.446494465,0,0,0,1.377154001,0.704630441,1.581273265,1.346527169,0.055685265,0,0,0,1.333333333,0.833333333,1.666666667,1.25,0,0,0,0,1.333333333,0.833333333,1.666666667,1.25,0,0,0,0,1.333333333,0.833333333,1.666666667,1.25,0,0,0,0,1.333333333,0.833333333,1.666666667,1.25,0,0,0,0,1.333333333,0.833333333,1.666666667,1.25,0,0,0,0,1.712177122,0.424354244,1.429889299,1.556734317,0,0,0,0,16.5764315,8.288215752,12.5025355,16.5764315,2.762738584,8.288899278,5.33E-15,9.99E-16,1.67E-16,-20.7237456,14.94438308,2.490730514,1.622601309,16.5764315,8.288215752,12.5025355,16.5764315,2.762738584,8.288899278,5.33E-15,9.99E-16,1.67E-16,-20.7237456,14.94438308,2.490730514,1.622601309,16.5764315,8.288215752,12.5025355,16.5764315,2.762738584,8.288899278,5.33E-15,9.99E-16,1.67E-16,-20.7237456,14.94438308,2.490730514,1.622601309,16.5764315,8.288215752,12.5025355,16.5764315,2.762738584,8.288899278,5.33E-15,9.99E-16,1.67E-16,-20.7237456,14.94438308,2.490730514,1.622601309,16.5764315,8.288215752,12.5025355,16.5764315,2.762738584,8.288899278,5.33E-15,9.99E-16,1.67E-16,-20.7237456,14.94438308,2.490730514,1.622601309,16.5764315,8.288215752,12.5025355,16.5764315,2.762738584,8.288899278,5.33E-15,9.99E-16,1.67E-16,-20.7237456,14.94438308,2.490730514,1.622601309,24.98306185,12.30634574,19.32115931,24.73614827,4.122691378,12.30635641,-0.37037037,2.22E-16,3.70E-17,-21.62619203,14.16027914,2.360046523,1.590264481,0,11.89,12.11007471,-0.157858911,0.062724554,5.888625,7.872973656,5,15,13,13,3,2,2,0,0,2,10.93207,3.578401688,2.895602712,2.23555508,2.212949331,0.919384442,0.083923071,0.083923071,0.083923071,1.857178796,1.476745966,1.131804982,1.088749103,0.048277875,0.083923071,0.083923071,0.083923071,3.594602166,2.933011784,2.305265655,2.280775724,1.010448691,0.270913902,0.270913902,0.270913902,1.810926156,1.391002997,1.018798055,0.977485712,0.157764507,0.270913902,0.270913902,0.270913902,3.670004833,3.102713921,2.596671519,2.564518586,1.376536215,0.943918427,0.943918427,0.943918427,1.685918207,1.137304539,0.651588094,0.618071174,0.558110648,0.943918427,0.943918427,0.943918427,3.606753205,2.960900533,2.355882635,2.330029629,1.075965391,0.399277246,0.399277246,0.399277246,1.782465735,1.336109857,0.943896579,0.903936883,0.233986643,0.399277246,0.399277246,0.399277246,3.709352464,3.187335675,2.728690949,2.693326823,1.531358408,1.207644823,1.207644823,1.207644823,1.650230441,1.059076599,0.525368616,0.495035576,0.710226205,1.207644823,1.207644823,1.207644823,3.583320607,3.023820308,2.41021635,2.409891945,1.026169371,0.45,0.45,0.45,1.828103927,1.334689052,0.881020991,0.785017277,0.175412665,0.45,0.45,0.45,0,0,2,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.666666667,0,0.333333333,0,0.353553391,0,0.125,0,1.333333333,0,0,0.603553391,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,4.414213562,1.957106781,1.560660172,0.728553391,0,0,0,0,0.73570226,0.391421356,0.260110029,0.182138348,0,0,0,0,8.709139019,15.43918427,14.62745098,14.8,9.992772455,121.8839701,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,1.99098,29.088,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,24,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,2,0,2,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.439814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.813194444,0,0,0,0,0.667361111,0,0.813194444,0,0,0,0,0,0,0,0,3.893518519,7.310185185,0,0,0,0,0,0,0,2.12962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.064814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0,0.333680556,0,0.406597222,0,0,0,0,0,0,0,0,1.946759259,3.655092593,0,0,0,0,0,0,0,1.064814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.655092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0,0.333680556,0,0.406597222,0,0,0,0,0,0,0,0,1.946759259,3.655092593,0,0,0,0,0,0,0,1.064814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,2.222222222,0.406597222,3.655092593,0.159722222,1.064814815,3.706361111,0.601851852,0.655092593,2.62037037,0.601851852,0.655092593,2.62037037,3,0.5,0,0,0.45,0.7,0.42,0.42,0.7,0.03,0.03,0,0,0.71429,0,0,0.66667,0.33333,0,5.5,0.91667,2.5,0.41667,3,0.5,0.5,0.08333,0,0,3.25381,0.5423,6.13075,2.87694,0.47949,1.39143,0.2319,2.64272,1.25129,0.20855,0.27128,0.04521,0.27128,0.04521,0,5,0,0,0,0,0,0,0.333333333,0.954434003,2.155639062,2.155639062,2.155639062,1.780639062,1.030639062,15.27094405,34.490225,34.490225,34.490225,28.490225,16.490225,0.238608501,0.538909766,0.538909766,0.538909766,0.445159766,0.257659766,3.045565997,1.844360938,1.844360938,1.844360938,2.219360938,2.969360938,0.233502796,0.527378265,0.527378265,0.527378265,0.435634312,0.252146405,6.794779896,14.53870385,14.53870385,14.53870385,10.03870385,1.038703846,23.34095565,18.68383437,18.68383437,18.68383437,14.18383437,5.183834373,6,2.222222222,3,6,4,4,2.12,0.868,2.289428485,0,5.656854249,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.123,0.112,0.159,0.31,2.508,6,4,0,0,0,0,0,0,0,21,2.079441542,2.397895273,2.302585093,0,0,0,0,0,0,0,3.496507561,1.523809524,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,3,0.6,0,2,3,0.5,2,0.888888889,0,0,0,0,0,0,0,0,0.4,0.148148148,0,0,0,0,0,0,0,0,0.548148148,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,0,107.0594491,3.584962501,3.135494216,3.761200116,4.465908119,5.141663557,5.837730447,6.52649486,7.220373837,7.912423121,8.605753368,63.60704164,2.397895273,0,3.555348061,0,4.875197323,0,6.244166901,0,7.626082758,7.917536354,82.07825032,5.129890645,10.52364588,1.75394098,0,0,0,29,4,2.74,22,1.2058,2.103140854,3.014169918,3.603055153,4.086345379,0,0,0,0,0,76.31606112,98.22315218,107.5028765,29.13964135,4.151988431,0,0,0,0,0,282.5498053,375.7344117,511.7481698,304.1668881,127.0189154,0,0,0,0,0,8.779927494,14.97813319,21.6809745,25.12397969,27.45396432,0,0,0,0,0,2.125102836,2.938803978,4.256606769,3.138658552,1.816841889,0,0,0,0,0,172.3399025,325.7715288,447.3908249,593.2276203,755.6373929,0,0,0,0,0,3.575459259,4.963228933,8.623080669,6.999027361,4.086345379,0,0,0,0,0,0.4399995,0.614205587,0.896685111,0.685052609,0.418441767,0,0,0,0,0,309.2662348,117.9708465,11.67110088,193.000374,-73.62076727,-12.47425795,116.2658608,191.5916138,24.14535883,0.615741181,0.234876945,0.023236864,0.384258819,-0.146577069,-0.024835929,155.334103,59.25281701,5.86200426,96.93764335,-36.97725312,-6.265403236,0.140902911,0.250435667,4.479216643,12.05794777,502.2666088,0,1,0,370.182533,19.2401282,7.180234712,467.902143,21.63104581,7.763394903,578.7138514,24.05647213,8.333382042,1.185939446,1.147822429,233.6393907,141.1662176,99.21487011,1.655065884,2.354882796,1.422833265,3.371434982,3.315270577,5.382426024,0.62352541,3.115673953,2.684985972,3.441076907,7.507174462,2.094273008,7.555355777,2.734866297,11.25484251,1.593055025,0.255055864,2.73E-17,5.73E-55,2.32E-114,1.81E-195,2.72E-298,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.261509045,2.212051727,0.194727875,3.832533686,0.041021319,1.331159649,0.312267608,0.315652638,0.011220026,0.001796379,1.92E-19,4.03E-57,1.63E-116,1.27E-197,1.92E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844104946,2.243654386,0.689947785,4.552383624,0.201951714,2.249533547,0.704846665,1.433357622,0.11692125,0.018719657,2.00E-18,4.20E-56,1.70E-115,1.33E-196,2.00E-299,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.94094402,2.633062025,3.183106863,7.271523838,1.877238155,7.049747539,2.550498858,10.19062636,1.419383353,0.227250183,2.43E-17,5.10E-55,2.06E-114,1.61E-195,2.42E-298,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.24403877,2.284628662,1.079613904,5.055511751,0.38908498,2.984519331,1.004603517,2.531758032,0.253968555,0.040661597,4.35E-18,9.13E-56,3.69E-115,2.88E-196,4.34E-299,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.762620247,2.903319109,4.463476085,8.391822335,3.001560842,9.568832443,3.45843673,15.64311148,2.323321005,0.371975007,3.98E-17,8.35E-55,3.38E-114,2.64E-195,3.97E-298,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.553916681,1.626787607,0.998101755,4.830441275,0.486803783,4.323247037,1.14230664,3.08540958,0.322593667,0.051648812,5.53E-18,1.16E-55,4.69E-115,3.66E-196,5.51E-299,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.692767283,1.888626776,0.209042269,0.562113156,0.394249427,0.579538551,0.468750744,0.25,4.790436327,6.043337398,11.89688586,0.434543874,1.298289295,1.678687938,1.167594706,0.041041971,0.581399102,0.404386365,0.238538616,0.206331718,0.009636697,2.887324614,2.076844197,5.044612188,0.478678201,0.454507031,2.051430463,1.445521745,0.104042352,0.56968441,0.401422918,0.343994447,0.296419398,0.061928721,3.60099456,3.329218476,7.23873891,0.456660993,0.702342566,2.664612229,1.869727616,0.204486295,0.562293731,0.394555014,0.56773341,0.460559977,0.239221496,4.738826141,5.909309427,11.66690655,0.435273118,1.267514882,2.230300227,1.572356922,0.133641904,0.566598268,0.399450575,0.402692237,0.341722711,0.10217793,3.936299053,4.015022343,8.419980568,0.449073266,0.846592878,2.781944145,1.948252569,0.223449926,0.561595194,0.393296638,0.617818546,0.495108356,0.285648678,4.953646639,6.476891931,12.64162149,0.432337748,1.398575581,2.652299043,1.880670126,0.203410926,0.559984416,0.397069088,0.56304857,0.468367042,0.236712037,4.736380094,5.91015503,11.66116908,0.435580257,1.268127649 +UMLMON0091,L,"2,3-dimethyl-1,3-butadiene",CC(=C)C(=C)C,10566,,UML,[1],C6H10,PubChem,,83.4,0,2.7426,7.52185476,43.8018,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1921.920348,1903.721747,1032.131188,248.409504,18.289152,0,0,4184.657049,5188.491512,7083.005766,7704.005434,6156.908624,2997.771428,559.5073998,0,0,148.486212,153.276228,257.716848,281.441036,340.543696,329.671296,120.932352,0,0,30.43545486,38.46263172,54.17148079,60.51927787,55.4690298,33.38218473,8.003032287,0,0,3360.161029,2978.619777,5482.629357,5745.759462,7467.135254,8303.73542,3328.517736,0,0,44.33333333,54.22222222,76.77777778,89.33333333,94,66,18,0,0,62.40808843,68.74581643,53.38667633,48.81337813,21.50273308,5.175198,1.016064,0,0,199.2693833,247.0710244,196.7501602,197.5386009,128.2689297,62.45357141,31.08374443,0,0,7.070772,7.298868,7.158801333,7.216436821,7.094660333,6.868152,6.718464,0,0,1.449307374,1.831553891,1.504763355,1.551776356,1.155604788,0.695462182,0.444612905,0,0,160.0076681,141.839037,152.2952599,147.3271657,155.5653178,172.9944879,184.917652,0,0,2.111111111,2.582010582,2.132716049,2.290598291,1.958333333,1.375,1,0,0,0.040175925,0.001528222,0.003180759,-0.016421178,-0.036545608,0.00575496,0.022414883,0,0,622.6251891,4.19E-13,229.7783436,-291.5467156,-783.2229562,133.4196834,400.2590502,0,0,1157.798126,-1.14E-13,427.2826418,-542.1435671,-1456.436532,248.0995985,744.2987955,0,0,0.121968,1.86E-15,0.045012,-0.057112,-0.153428,0.026136,0.078408,0,0,5.175896322,9.60E-15,1.910152214,-2.423633992,-6.510948945,1.10912064,3.327361921,0,0,28.11555097,4.22E-14,10.37597714,-13.16521831,-35.367578,6.024760922,18.07428277,0,0,4.285714286,-1.015873016,1.811791383,-0.62585034,-5.034013605,0.108843537,2.612244898,0,0,0.001913139,7.28E-05,8.84E-05,-4.21E-04,-7.61E-04,1.20E-04,0.001245271,0,0,29.64881853,2.00E-14,6.382731767,-7.475556809,-16.31714492,2.779576737,22.2366139,0,0,55.13324411,-5.41E-15,11.86896227,-13.9011171,-30.34242775,5.168741635,41.34993308,0,0,0.005808,8.85E-17,0.001250333,-0.00146441,-0.003196417,5.44E-04,0.004356,0,0,0.246471253,4.57E-16,0.053059784,-0.062144461,-0.13564477,0.02310668,0.18485344,0,0,1.33883576,2.01E-15,0.288221587,-0.3375697,-0.736824542,0.125515853,1.00412682,0,0,0.204081633,-0.048374906,0.050327538,-0.016047445,-0.104875283,0.002267574,0.145124717,0,0,0.038038258,0.046182946,-0.220086355,-0.397967276,0.06266925,0.650904646,0,0,6.73E-16,0.215277778,-0.252136752,-0.550347222,0.09375,0.75,0,0,-9.82E-17,0.215277778,-0.252136752,-0.550347222,0.09375,0.75,0,0,1.52E-14,0.215277778,-0.252136752,-0.550347222,0.09375,0.75,0,0,1.86E-15,0.215277778,-0.252136752,-0.550347222,0.09375,0.75,0,0,1.50E-15,0.215277778,-0.252136752,-0.550347222,0.09375,0.75,0,0,-0.237037037,0.246604938,-0.078632479,-0.513888889,0.011111111,0.711111111,0,0,1.010128376,0.92975357,1.330977265,1.37188559,0.727926988,0.145392138,0,0,1.111111111,0.810185185,1.296296296,1.498842593,0.729166667,0,0,0,1.111111111,0.810185185,1.296296296,1.498842593,0.729166667,0,0,0,1.111111111,0.810185185,1.296296296,1.498842593,0.729166667,0,0,0,1.111111111,0.810185185,1.296296296,1.498842593,0.729166667,0,0,0,1.111111111,0.810185185,1.296296296,1.498842593,0.729166667,0,0,0,1.395061728,0.633744856,1.056980057,1.555555556,0.875,0,0,0,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,33.20712428,16.19341682,22.14275614,33.18490205,3.687211339,16.19341724,-0.066666667,8.89E-17,9.87E-18,-33.26341335,5000010.682,555556.7425,13.88245555,0,11.85,12.15009716,-0.20991491,0.090205492,6.23875,8.758384778,9,21,18,15,3,3,0,0,0,6,13.118484,3.837367081,2.978981869,2.895422064,2.505534111,2.024738679,1.747803013,0.758189562,0.441365589,2.009891347,1.493916978,1.412097968,1.300321342,0.783323018,0.504273083,0.182039807,0.083923071,3.847131707,3.0085188,2.924654716,2.56616622,2.082600027,1.811386711,0.882494449,0.545672476,1.980075811,1.412300855,1.328237853,1.199849988,0.682662645,0.411135567,0.028878977,0.270913902,3.892686795,3.149926772,3.064662777,2.822720652,2.324156623,2.066152029,1.384071661,0.963720007,1.902365083,1.180117151,1.094655717,0.87156837,0.369849397,0.112224304,0.526193268,0.943918427,3.854454913,3.030937363,2.946831905,2.610375339,2.124567978,1.856928308,0.97215515,0.621114151,1.962054508,1.360731895,1.2757869,1.132925399,0.617333107,0.350539445,0.077669619,0.399277246,3.916684571,3.224500232,3.138866256,2.940349198,2.434292052,2.176025562,1.59693027,1.207644823,1.880701512,1.11246322,1.027514451,0.759509312,0.264988018,0.005459046,0.734907754,1.133948601,3.838651519,3.055466305,2.993656732,2.688847821,2.193688616,1.880015497,1.071558134,0.657550841,1.971239809,1.3069968,1.20234035,1.040006601,0.540885432,0.325476185,0.1839803,0.529411765,0,0,0,3,3,3,0,0,0,0,0,0,0.068041382,0.204124145,0,0,0,0.024056261,0.072168784,0.663854611,0,0.272165527,0,0.413675135,0,0.144337567,0,1.733969088,1.979392051,2.190389772,0.994016936,0.968233513,0.904237747,6.853371151,4.215214055,3.744588185,3.114068787,1.848425766,1.072102901,0.526099421,0.136082763,0.761485683,0.468357117,0.312049015,0.222433485,0.142186597,0.089341908,0.07515706,0.068041382,6.232050808,3.244016936,2.516808827,1.875462792,0.897791891,0.42012099,0.19245009,0.048112522,0.69245009,0.360446326,0.209734069,0.133961628,0.069060915,0.035010083,0.02749287,0.024056261,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,1.77066,37.362,36.67290345,48.67889424,73.3458069,8.1495341,36.67290345,0.016616204,0.001846245,-3.687639223,421.5163183,46.83514647,5.439472642,63,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.56018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.201944444,0,0,0,0,1.201944444,0,0,0,0,0,0,0,0,6.439814815,0,0,0,0,6.377314815,0,0,0,0,4.18287037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.384259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0,0,0,0,0.396597222,0,0,0,0,0,0,0,0,2.141203704,0,0,0,0,2.094907407,0,0,0,0,1.384259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.141203704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40875,0,0,0,0,0.40875,0,0,0,0,0,0,0,0,2.157407407,0,0,0,0,2.141203704,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17,1.888888889,0.40875,2.157407407,0.131944444,1.384259259,5.525391204,0.282407407,0.157407407,1.634259259,0.282407407,0.157407407,1.634259259,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.33333,0.33333,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.86262,0.6514,10.4931,4.63048,0.5145,2.06158,0.22906,4.21519,2.15362,0.23929,0.19881,0.02209,0.28481,0.03165,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.128085279,2.390455517,2.652825755,3.236857303,3.332095399,20.68979086,44.68979086,50.19956586,55.70934087,67.97400337,69.97400337,0.224307135,0.484501705,0.544235602,0.6039695,0.736936107,0.758618988,3.407089287,2.264232144,2.001861906,1.739491667,1.155460119,1.060222024,0.214882485,0.464144533,0.521368608,0.578592683,0.70597247,0.726744308,6.75154531,15.36999611,18.51843897,20.22487205,21.86034747,20.909457,33.82580122,27.57483228,23.40077103,20.96590197,18.95755632,19.8604161,7.111111111,2.722222222,1.469387755,0,6,0,2.45,1.1391,0.908560296,2.9826782,5.181129588,0,2.381101578,4.585756412,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.1,0.505,0.68,4.372,12,14,13,12,7,2,0,0,0,78,2.564949357,3.157000421,3.630985476,3.986666548,4.342993404,3.944006051,2.784239339,0,0,0,5.619947865,3.524038462,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,4,0.333333333,2,1.555555556,0.6875,0.333333333,0,0,0,0,0,0,0.222222222,0.12962963,0.0625,0.083333333,0,0,0,0,0,0,0.497685185,18.64904007,25.47746719,37.29808014,4.144231127,18.6490401,3.10E-16,3.44E-17,-32.13980727,5000010.414,555556.7126,13.8824555,0,133.0544855,4.169925001,3.761200116,4.553876892,5.370638028,6.180016654,7.00033446,7.812378206,8.633552993,9.446123704,10.26747073,81.02559178,2.944438979,0,4.204692619,0,5.686975356,0,7.263329617,0,8.876125585,9.101863896,120.0939004,5.718757161,17.38253322,1.931392579,0,0,0,82,11,3.258,42,1.233300178,2.143629399,3.063002194,3.808373416,4.417137531,5.753812093,0,0,0,0,94.09564805,126.5087169,157.9266193,89.31497623,25.3200399,5.846241331,0,0,0,0,326.4685465,454.4984762,626.4631208,511.2230101,294.4239129,178.8500246,0,0,0,0,9.031490446,15.41305122,22.14189658,27.0767591,30.42612504,38.65677941,0,0,0,0,2.376896686,3.42021181,4.875732059,4.544322797,3.220350611,2.558219109,0,0,0,0,173.0750978,321.7322639,448.6912616,588.21507,757.0868878,1063.981422,0,0,0,0,3.280371767,4.776662573,7.164991882,7.631929236,6.295408236,5.753812093,0,0,0,0,0.489174207,0.709316992,1.015997098,0.968355347,0.710764932,0.589190358,0,0,0,0,254.4920433,110.8849962,9.44053182,77.6152718,-33.81783181,-3.902316437,176.8767715,144.702828,13.34284826,0.766294603,0.333883029,0.028426148,0.233705397,-0.101828024,-0.011750167,84.51866921,36.82571836,3.135269676,25.77659953,-11.23114932,-1.295987835,0.142361419,0.140564756,3.051697076,2.006939697,332.1073151,0,1,0,669.1530565,25.8679929,8.746651482,786.0344264,28.03630551,9.22884154,1158.124561,34.0312292,10.50151017,1.235244112,1.224160314,482.4556763,279.7379979,212.8332245,1.724669798,2.266825011,1.314353051,4.00314027,3.785389562,6.367568618,0.682143545,3.591901278,4.850430554,5.427785225,10.56066725,1.977932278,2.609761682,6.982469158,7.876717891,1.700725624,4.391223125,0.767629302,0.345905161,8.48E-18,4.01E-56,3.66E-116,6.45E-198,2.19E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,0.301552992,3.877877027,0.276499361,5.321234982,0.82780655,0.396421178,0.663107901,0.489602562,0.997041428,0.109068737,0.005406637,0.002436238,5.98E-20,2.83E-58,2.58E-118,4.54E-200,1.54E-303,0,0,0,0,0,0,0,0,0,0,0,0,0,0.973183225,3.942865295,1.009891843,6.073821689,0.92661062,0.819257222,1.950593857,1.692783718,1.135318736,0.523050257,0.056340061,0.025387482,6.23E-19,2.95E-57,2.69E-117,4.73E-199,1.61E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390468513,4.743652807,4.999895799,10.12780668,1.859423868,2.464019617,6.594742595,7.316695969,1.655750519,3.966305454,0.683943999,0.308195271,7.56E-18,3.58E-56,3.26E-116,5.74E-198,1.95E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,1.434236324,4.027125715,1.607791717,6.684540998,1.034806185,1.118117934,2.835134239,2.609197612,1.23183316,0.943848059,0.122377745,0.055145003,1.35E-18,6.40E-57,5.84E-117,1.03E-198,3.49E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,4.337716138,5.299416509,7.139838129,12.29064341,2.471327857,3.161009041,8.419022337,10.0726122,1.86940103,6.149311993,1.11951467,0.504470169,1.24E-17,5.85E-56,5.34E-116,9.40E-198,3.19E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,2.013495495,3.921882412,2.165315677,7.18895007,1.265050046,1.490571804,3.867392014,3.757069258,1.466937654,1.515632024,0.215149283,0.096949197,2.38E-18,1.13E-56,1.03E-116,1.81E-198,6.14E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,3.643898517,2.627863448,0.238927834,0.559679332,0.403622892,0.529869491,0.464723405,0.28569781,6.510689799,11.07416622,19.87274957,0.444953336,1.280290706,2.287925025,1.7951278,0.042087086,0.554629679,0.435167737,0.210232933,0.21810798,0.008864786,4.125139911,4.278961612,8.576958145,0.484696124,0.437205698,2.762095888,2.086774543,0.110960615,0.556893141,0.420735006,0.305249995,0.293812422,0.061618265,4.959831045,6.301905028,11.90129879,0.466442219,0.660680681,3.603007457,2.602790081,0.232995348,0.559578095,0.40423572,0.518080885,0.455933108,0.271686373,6.438792887,10.82379403,19.44758749,0.445720723,1.245700366,2.998430678,2.231898201,0.14526694,0.557785737,0.415190851,0.359355222,0.335780414,0.105610195,5.375595819,7.451985906,13.79973598,0.459464882,0.80074583,3.774908158,2.708187774,0.257934075,0.559989817,0.40174688,0.568536402,0.493452435,0.332959227,6.741030007,11.89537147,21.27330282,0.442605045,1.394948063,3.604454833,2.606457169,0.232695238,0.559384627,0.4045028,0.518511265,0.457232283,0.270986915,6.44360724,10.84010679,19.46985254,0.44583114,1.246730464 +UMLMON0092,L,"1,2,3-trimethylbenzene",CC1=C(C(=CC=C1)C)C,10686,Sandia values from independent api report ,Sandia,,C9H12,PubChem,,101.1,0,2.2271,4.95997441,48.2855,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2126.719909,2103.526668,1580.99492,718.458386,131.40288,6.096384,0,4670.34144,5841.481647,8080.20575,8804.055012,7755.436337,5307.58616,1974.740242,186.5024666,0,169.463656,175.052008,300.845524,364.481328,403.100576,378.012872,285.368832,40.310784,0,34.11358067,43.47862034,62.52810234,70.87464544,66.84090011,51.44133883,24.02519324,2.667677429,0,3856.790689,3411.659229,6375.036452,7779.467573,8994.286251,8788.273071,7512.180551,1109.505912,0,49.33333333,59.66666667,87.22222222,105,107.6666667,93.33333333,50,6,0,60.70275442,67.17251842,50.63618831,41.24562094,27.73675298,13.30478493,3.12864,1.016064,0,194.59756,243.3950686,192.3858512,172.6285296,136.0602866,98.28863259,47.0176248,31.08374443,0,7.060985667,7.293833667,7.162988667,7.146692706,7.07193993,7.00023837,6.794496,6.718464,0,1.421399194,1.811609181,1.488764342,1.38969893,1.17264737,0.952617386,0.572028411,0.444612905,0,160.6996121,142.1524679,151.7865822,152.5385799,157.7944956,162.7457976,178.8614417,184.917652,0,2.055555556,2.486111111,2.076719577,2.058823529,1.888888889,1.728395062,1.19047619,1,0,0.049361269,-0.003783465,-0.002323667,-0.010150859,-0.017188365,-0.020549315,0.020589208,0.008725828,0,706.2183858,-7.82E-14,136.1992601,-199.2544731,-355.6314014,-539.7526235,479.219619,126.110426,0,1313.243245,1.85E-13,253.2683401,-370.5222013,-661.311777,-1003.693052,891.1293449,234.5077223,0,0.138343333,2.23E-15,0.0266805,-0.039032583,-0.06966575,-0.105733833,0.093875833,0.024704167,0,5.870808328,1.37E-14,1.13222732,-1.656406635,-2.956371337,-4.486974937,3.983762794,1.04835863,0,31.89032402,-1.08E-13,6.150276775,-8.997627133,-16.05905602,-24.37331907,21.63986273,5.694700717,0,4.87037037,-1.12962963,1.699074074,-1.053240741,-0.881944444,-4.439814815,2.587962963,0.782407407,0,0.00205672,-1.58E-04,-5.53E-05,-1.99E-04,-3.02E-04,-3.81E-04,4.90E-04,0.001454305,0,29.42576608,-3.26E-15,3.242839527,-3.906950454,-6.239147394,-9.995418953,11.40999093,21.01840434,0,54.71846854,7.70E-15,6.030198574,-7.265141202,-11.601961,-18.58690836,21.21736535,39.08462039,0,0.005764306,9.28E-17,6.35E-04,-7.65E-04,-0.001222206,-0.001958034,0.002235139,0.004117361,0,0.244617014,5.71E-16,0.026957793,-0.032478561,-0.051866164,-0.083092128,0.094851495,0.174726438,0,1.328763501,-4.51E-15,0.146435161,-0.176424061,-0.281737825,-0.451357761,0.515234827,0.949116786,0,0.202932099,-0.047067901,0.040454145,-0.020651779,-0.01547271,-0.082218793,0.061618166,0.130401235,0,-0.076648445,-0.026899835,-0.096773744,-0.146617107,-0.185024188,0.238350069,0.707099171,0,-1.11E-16,0.110204082,-0.132773109,-0.212030075,-0.33968254,0.387755102,0.714285714,0,1.41E-16,0.110204082,-0.132773109,-0.212030075,-0.33968254,0.387755102,0.714285714,0,1.61E-14,0.110204082,-0.132773109,-0.212030075,-0.33968254,0.387755102,0.714285714,0,2.34E-15,0.110204082,-0.132773109,-0.212030075,-0.33968254,0.387755102,0.714285714,0,-3.40E-15,0.110204082,-0.132773109,-0.212030075,-0.33968254,0.387755102,0.714285714,0,-0.231939163,0.19934818,-0.101766943,-0.076245747,-0.405154204,0.303639326,0.642585551,0,1.16725437,0.933765831,1.123295804,1.097586412,1.200757206,0.524624741,0.340348408,0,1.15,0.93877551,1.159663866,1.17593985,1.241269841,0.375510204,0,0,1.15,0.93877551,1.159663866,1.17593985,1.241269841,0.375510204,0,0,1.15,0.93877551,1.159663866,1.17593985,1.241269841,0.375510204,0,0,1.15,0.93877551,1.159663866,1.17593985,1.241269841,0.375510204,0,0,1.15,0.93877551,1.159663866,1.17593985,1.241269841,0.375510204,0,0,1.421102662,0.712112982,1.07000671,1.058635181,1.44782425,0.449755568,0,0,38.28797683,19.14398841,27.35727793,38.28797683,3.828797683,19.14398844,7.11E-15,0.230446684,0.023044668,-1.467735751,100.5565113,10.05565113,4.610719871,38.28797683,19.14398841,27.35727793,38.28797683,3.828797683,19.14398844,7.11E-15,0.230446684,0.023044668,-1.467735751,100.5565113,10.05565113,4.610719871,38.28797683,19.14398841,27.35727793,38.28797683,3.828797683,19.14398844,7.11E-15,0.230446684,0.023044668,-1.467735751,100.5565113,10.05565113,4.610719871,38.28797683,19.14398841,27.35727793,38.28797683,3.828797683,19.14398844,7.11E-15,0.230446684,0.023044668,-1.467735751,100.5565113,10.05565113,4.610719871,38.28797683,19.14398841,27.35727793,38.28797683,3.828797683,19.14398844,7.11E-15,0.230446684,0.023044668,-1.467735751,100.5565113,10.05565113,4.610719871,38.28797683,19.14398841,27.35727793,38.28797683,3.828797683,19.14398844,7.11E-15,0.230446684,0.023044668,-1.467735751,100.5565113,10.05565113,4.610719871,47.69852692,23.51340887,34.9854788,47.60342113,4.760342113,23.51340887,-0.173333333,0.371916395,0.03719164,-0.989086194,47.10362226,4.710362226,3.852349904,0,11.89,12.11015511,-0.151531181,0.071757339,6.228245782,9.387130939,10,24,21,18,4,3,0,0,0,6,15.304898,3.82998424,3.21836674,2.869050417,2.511352721,2.333552793,2.040375571,1.225125403,0.758294751,2.013063287,1.681708048,1.412025077,1.249629723,1.014447498,0.767795719,0.438467017,0.23948207,3.84052816,3.248033876,2.900795774,2.5423055,2.405454588,2.097477069,1.321860205,0.883173386,1.981756688,1.612633163,1.327749955,1.134540686,0.935883133,0.672878267,0.291394492,0.071848869,3.889355384,3.38254711,3.051944454,2.704236987,2.684032506,2.332624182,1.725237538,1.397533545,1.899659651,1.410008959,1.084016631,0.76031856,0.713371865,0.376488385,0.199646279,0.509857251,3.848416746,3.270137692,2.924852053,2.5654187,2.457539916,2.138716694,1.392220797,0.974416439,1.962798063,1.568576208,1.274104532,1.058262671,0.886514595,0.611322356,0.192880161,0.041939747,3.914866816,3.449784754,3.131021875,2.838982085,2.756178364,2.438038884,1.905120094,1.617555831,1.8765634,1.347937115,1.012042737,0.647281227,0.631337262,0.275532993,0.372845349,0.725023361,3.847260644,3.264110794,2.981016428,2.627119052,2.556211565,2.192360498,1.420284965,1.088178051,1.97125681,1.543992227,1.190692897,0.949068708,0.809651615,0.554773075,0.125210997,0.169158608,0,0,0,4,2,3,0,1,0,0,0,0,0.083333333,0.131445856,0,0,0,0.027777778,0.043815285,0.705118357,0,0.232307808,0,0.516346035,0,0.131445856,0,1.498266827,2.174558379,2.133706448,0.907229279,1.173575314,0.956493242,7.560477932,4.715214055,4.169612481,3.034129906,2.335345682,1.341715763,0.565641142,0.240562612,0.756047793,0.471521406,0.320739422,0.202275327,0.145959105,0.09583684,0.070705143,0.048112522,6.886751346,3.770725942,3.011288554,1.810469848,1.234579548,0.537523693,0.207336156,0.080187537,0.688675135,0.377072594,0.231637581,0.12069799,0.077161222,0.03839455,0.025917019,0.016037507,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.83802,44.171,42.48714605,61.07011492,84.9742921,8.49742921,42.48714605,0.127985704,0.01279857,-2.055836709,60.63342718,6.063342718,4.104846345,76,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,4,0,0,0,0,0,0,0,0,3,0,0,0,0,4,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.40166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.576805556,0,0.93125,0,0,1.576805556,0,0,0,0,0,0,0,0,6.611111111,0,0,0,0,8.540555556,0.653888889,0,0,0,2.861111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.400462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375347222,0,0.285972222,0,0,0.375347222,0,0,0,0,0,0,0,0,2.162037037,0,0,0,0,2.084537037,0.653888889,0,0,0,1.400462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.194444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.410486111,0,0.359305556,0,0,0.410486111,0,0,0,0,0,0,0,0,2.224537037,0,0,0,0,2.194444444,0.653888889,0,0,0,1.460648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.66666667,1.866666667,0.410486111,2.224537037,0.104166667,0.653888889,6.259751111,0.679444444,0.224537037,2.303333333,0.679444444,0.224537037,2.303333333,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.3,0.3,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.21256,0.72126,12.12199,4.90943,0.49094,2.70236,0.27024,4.71519,2.01283,0.20128,0.19881,0.01988,0.28481,0.02848,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.367492461,3.15726823,3.323934896,3.355388542,3.490601563,23.51685016,56.81981907,75.77443751,79.77443751,80.52932501,83.77443751,0.213713581,0.516360267,0.688613752,0.724964467,0.731824642,0.761315182,3.605093744,2.21747004,1.427694271,1.261027604,1.229573959,1.094360938,0.206076118,0.497907145,0.664004822,0.699056475,0.705671489,0.734108128,6.772325919,17.88939319,21.43339272,21.60136356,22.54907792,22.68534898,37.92632204,26.78820795,21.37919844,20.85087761,19.75025104,19.34298282,8.1,3.408284024,1.991111111,2,6,0,2.56,1.28,0.944940787,3.37055691,4.952890873,0,3.965406457,5.553157574,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.147,0.132,0.49,0.657,4.666,13,15,16,14,8,5,2,0,0,93,2.63905733,3.157000421,3.630985476,4.040855877,4.385925275,3.944006051,3.662760043,2.784239339,0,0,5.775230663,3.453965054,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,5,0.666666667,2,1.333333333,0.875,0.302222222,0.125,0,0,0,0,0,0.2,0.102564103,0.072916667,0.037777778,0.0625,0,0,0,0,0,0.475758547,23.44376108,33.38613185,46.88752215,4.688752215,23.44376108,0.051500103,0.00515001,-2.966171475,58.6263138,5.86263138,4.071183637,0,150.3504702,4.321928095,3.850147602,4.634728988,5.459585514,6.263398263,7.090909822,7.899153483,8.726643416,9.536112711,10.36334614,83.82402594,3.044522438,0,4.290459441,0,5.752572639,0,7.311218384,0,8.912069098,9.141311786,134.1095504,5.587897935,19.38481891,1.938481891,0,0,0,114,12,3.834,46,1.235929323,2.155196633,3.001032187,3.734303883,4.414944946,5.089061907,6.244540072,0,0,0,92.76161773,120.091917,131.3250453,113.8264564,63.01894725,16.59593432,6.344852363,0,0,0,323.5789178,444.2771023,539.7713069,536.4661482,453.1684739,244.3598682,194.1036877,0,0,0,9.045833162,15.49815552,21.49728236,26.46946657,30.97750671,34.60187145,41.95371767,0,0,0,2.362509317,3.384479643,4.303497173,4.549477456,4.344471923,2.951744392,2.776403101,0,0,0,173.7497847,322.8773084,454.180654,584.9412366,712.9309298,908.3045026,1154.725688,0,0,0,3.153935111,4.653982839,6.316794967,7.255696453,7.817424495,6.119185159,6.244540072,0,0,0,0.486472119,0.70331228,0.901320242,0.963527952,0.937937175,0.662864899,0.639440903,0,0,0,288.0069464,145.8803282,10.68817394,82.48981278,-41.7824678,-4.621508546,205.5171336,187.662796,15.30968248,0.777353484,0.393742522,0.028848225,0.222646516,-0.112774179,-0.012473816,106.7056403,54.04818884,3.959933806,30.5622083,-15.48026891,-1.712253939,0.122494752,0.12140435,1.669258242,2.099901705,370.4967592,0,1,0,729.0594248,27.00110044,9.00024454,865.5271791,29.41984329,9.530014688,1306.903602,36.15112172,10.93321407,1.146561949,1.027904209,573.6406231,441.2355832,237.6830892,1.300077883,2.413468392,1.85640293,4.284907952,3.821429894,6.697982109,0.752742375,4.231360714,4.769015911,5.158656314,12.1884832,5.280115584,8.678472642,10.39327363,7.52718985,5.12461793,5.479156496,4.792232927,1.500183901,2.34E-04,1.53E-28,2.64E-74,9.79E-142,7.28E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0.355218392,4.76882933,0.29002458,6.622765441,1.08731872,1.67476629,1.606379464,1.015637174,1.426626111,0.311937843,0.185088443,0.010565918,1.65E-06,1.08E-30,1.86E-76,6.90E-144,5.13E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,1.146421676,4.768842253,1.029758141,7.467270343,1.496291762,2.618788949,2.999711193,2.040010436,2.044959935,1.104422184,0.740535147,0.110105011,1.72E-05,1.13E-29,1.94E-75,7.19E-143,5.34E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,3.994066058,4.768995587,4.770724873,11.74460376,4.865349111,8.077927534,9.713747288,7.020738507,4.849938523,5.070045889,4.373997314,1.336636847,2.09E-04,1.37E-28,2.35E-74,8.72E-142,6.49E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,1.689557927,4.768858595,1.612997111,8.133571657,1.909722754,3.41101059,4.075035431,2.833704116,2.509957924,1.726306821,1.236137371,0.239162796,3.74E-05,2.45E-29,4.21E-75,1.56E-142,1.16E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,5.109956015,4.769101268,6.697040746,13.94908831,6.995304441,11.09706781,13.07002882,9.524771316,6.196462944,7.099250456,6.495404137,2.18787723,3.42E-04,2.24E-28,3.85E-74,1.43E-141,1.06E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,2.375404451,3.967084936,2.21135274,8.651488062,2.633119554,4.360059628,5.539741866,3.875474009,3.326698638,2.585822308,1.940254259,0.430537472,6.73E-05,4.40E-29,7.58E-75,2.81E-142,2.09E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,3.835503013,2.250733,0.813722362,0.555873355,0.326195156,0.523845997,0.440728567,0.314294494,6.899958375,13.58519955,27.50977343,0.333810033,1.278869057,3.005573353,1.384808931,0.392452554,0.628408351,0.289537268,0.3187807,0.167627528,0.072999036,4.782834838,5.885161564,12.30144077,0.442612526,0.559407265,3.295979152,1.696726024,0.542087584,0.595501818,0.306556379,0.383746717,0.25191636,0.139361344,5.53479276,8.298857088,16.86520614,0.393252727,0.775024421,3.810494092,2.225765635,0.80130894,0.557287872,0.325520041,0.51675659,0.431215612,0.304767658,6.837568667,13.31817569,26.95185926,0.335931808,1.25273986,3.440624429,1.848466528,0.615713944,0.582682152,0.313044471,0.418742815,0.298823841,0.17983524,5.9048049,9.616446143,19.43711728,0.374023229,0.897401897,3.915620466,2.330264537,0.853376529,0.551553207,0.328240413,0.546966302,0.471620683,0.345711355,7.099261532,14.45452317,29.3403604,0.327329811,1.364298339,3.815868394,2.228847537,0.801997656,0.557328468,0.325535384,0.518153909,0.432460526,0.30529684,6.846713587,13.35283688,27.02053161,0.335992702,1.255911275 +UMLMON0093,L,o-cymene,CC1=CC=CC=C1C(C)C,10703,"""O-CYMENE""; RON uses equivlaent mL TEL (+0.6); RON from [14]","Sandia, UML","[1], [14]",C10H14,PubChem,,96,0,0.2532,0.06411024,26.5582,13.602758,5,5,12,6,6,0,5,0,1,0,0,0,0,0,0,0,983.38499,1034.02699,1269.580339,468.052034,100.92096,6.096384,0,0,0,2520.477752,2987.946309,3695.413908,2237.162376,1042.227909,186.5024666,0,0,0,91.36508,92.935624,146.831332,132.814856,83.814912,40.310784,0,0,0,17.25538143,20.51554586,25.95058118,18.04922022,10.6868061,2.667677429,0,0,0,1928.928978,1732.599367,2932.125024,2774.325781,1964.65099,1109.505912,0,0,0,37.02777778,39.5,56.83333333,42.83333333,20,6,0,0,0,81.94874917,86.16891583,66.82001784,27.53247259,8.41008,1.016064,0,0,0,210.0398127,248.9955258,194.4954688,131.5977869,86.85232572,31.08374443,0,0,0,7.613756667,7.744635333,7.727964842,7.812638588,6.984576,6.718464,0,0,0,1.437948452,1.709628822,1.365820062,1.061718836,0.890567175,0.444612905,0,0,0,160.7440815,144.3832806,154.3223697,163.1956342,163.7209158,184.917652,0,0,0,3.085648148,3.291666667,2.99122807,2.519607843,1.666666667,1,0,0,0,0.13076113,-0.038132058,0.005446471,-0.05619803,0.009716717,0.013786335,0,0,0,421.6567897,20.61463667,56.31689369,-386.8475844,-105.114009,204.2016682,0,0,0,618.8957781,-46.90292984,-9.36533622,-296.6624024,-251.6114952,295.0942746,0,0,0,0.966738667,0.001210667,-0.066887556,-0.649135111,0.0916,0.139842667,0,0,0,2.839127845,-0.498177171,-0.480647602,-0.312476229,-1.233900177,1.105637256,0,0,0,15.98371771,-3.219627084,-3.427960758,-0.17863661,-6.841249486,5.675615081,0,0,0,6.414351852,-0.164351852,1.485146605,-6.17033179,-0.497685185,2.140046296,0,0,0,0.010896761,-0.003177672,2.87E-04,-0.003305766,8.10E-04,0.002297723,0,0,0,35.13806581,1.717886389,2.964047037,-22.75574026,-8.75950075,34.03361136,0,0,0,51.57464817,-3.908577487,-0.492912433,-17.45072955,-20.9676246,49.18237911,0,0,0,0.080561556,1.01E-04,-0.003520398,-0.038184418,0.007633333,0.023307111,0,0,0,0.236593987,-0.041514764,-0.025297242,-0.018380955,-0.102825015,0.184272876,0,0,0,1.331976476,-0.268302257,-0.180418987,-0.010508036,-0.570104124,0.945935847,0,0,0,0.534529321,-0.013695988,0.078165611,-0.362960694,-0.041473765,0.356674383,0,0,0,-0.291616156,0.026306568,-0.303371482,0.074308911,0.210862893,0,0,0,0.048889612,0.084354303,-0.647609359,-0.249288074,0.968568149,0,0,0,-0.07578486,-0.009557262,-0.338358674,-0.406549057,0.953615407,0,0,0,0.001252321,-0.043698233,-0.473978165,0.094751563,0.289308107,0,0,0,-0.175468383,-0.106922591,-0.077689864,-0.434605359,0.77885697,0,0,0,-0.201431678,-0.135452082,-0.007889055,-0.428013658,0.710174589,0,0,0,-0.025622519,0.146232597,-0.679028594,-0.077589318,0.667268134,0,0,0,1.146692212,1.063598847,1.759222244,0.12725099,0.099587558,0,0,0,0.824154459,0.851944842,1.60528963,1.052772564,0,0,0,0,1.051353655,0.929751753,1.159599011,1.333774138,0,0,0,0,0.849223989,1.135140606,1.950719654,0.089950542,0,0,0,0,1.218087257,1.053227625,0.927902897,1.299773233,0,0,0,0,1.259390748,1.094105271,0.885293303,1.254110394,0,0,0,0,0.845543125,0.857452183,1.92366315,0.571634789,0,0,0,0,11.9344319,6.092215949,8.98742964,12.10109856,2.016849761,6.0997373,0.25,0.207389524,0.034564921,-0.943893898,31.08972269,5.181620449,2.062126383,11.93772565,6.093495614,8.989344451,12.1039027,2.017317117,6.101005268,0.249265579,0.207354182,0.03455903,-0.943996153,31.08008231,5.180013719,2.061940304,14.95667893,7.278842226,10.94020731,14.69068261,2.448447102,7.280860386,-0.398994478,0.134832607,0.022472101,-1.202232731,33.05327481,5.508879136,2.098872389,11.94118282,6.094838808,8.991354926,12.10684602,2.017807669,6.102336206,0.2484948,0.207316875,0.034552812,-0.944104116,31.06999498,5.178332497,2.061745537,18.4417609,8.619548517,13.35985293,18.08099615,3.013499358,8.620092174,-1.082294264,0.051027989,0.008504665,-1.785228598,39.89819986,6.649699977,2.211798724,12.28092651,6.227030347,9.192134054,12.3963493,2.066058216,6.23342731,0.173134186,0.202671696,0.033778616,-0.957700723,30.22958778,5.038264631,2.045292704,11.90905551,6.124177417,9.152395271,12.10803737,2.018006229,6.131945726,0.420952381,0.272440121,0.045406687,-0.780201857,31.27198347,5.211997245,2.06563356,0,11.99396609,16.00053994,-0.37551425,0.099425025,5.210491676,6.385509446,6,12,10,7,1,2,0,0,0,5,8.475242,3.783532538,2.68884802,2.182725145,1.760319801,0.625528101,0.083923071,0.083923071,0.028525283,1.667799055,1.481507542,0.973790137,0.278660897,0.028525283,0.083923071,0.083923071,0.625528101,3.700290568,2.731133987,2.078391988,1.710144953,0.735407589,0.270913902,0.270913902,0.057857965,1.639472608,1.502066204,0.951829173,0.121404353,0.057857965,0.270913902,0.270913902,0.735407589,3.837137829,2.926569425,2.346025977,2.029465299,1.292539845,0.943918427,0.943918427,0.598599223,1.483756566,1.287103428,0.588778357,0.435637242,0.598599223,0.943918427,0.943918427,1.292539845,3.68226873,2.7628743,2.080419221,1.694935698,0.821239756,0.399277246,0.399277246,0.112270177,1.637418116,1.505862382,0.915796179,0.017582702,0.112270177,0.399277246,0.399277246,0.821239756,3.841448047,3.023097865,2.407117466,2.107327063,1.499648238,1.207644823,1.207644823,0.745538217,1.45076608,1.270221059,0.494214851,0.630990458,0.745538217,1.207644823,1.207644823,1.499648238,3.899891827,2.804858891,2.412617416,1.928661723,0.977414788,0.517241379,0.517241379,0.348871341,1.562757103,1.304659254,0.723500314,0.09791103,0.348871341,0.517241379,0.517241379,0.977414788,0,0,1,3,0,1,0,0,0,0,0,0.144337567,0.144337567,0,0,0,0.03928371,0.03928371,0,0.288675135,0,0,0,0.11785113,0,0,0,0.40824829,0.433012702,0,0.136082763,0.11785113,0,4.405777394,2.89384685,2.389628766,1.64384685,1.129936127,0.288675135,0,0,0.734296232,0.482307808,0.341375538,0.234835264,0.161419447,0.144337567,0,0,3.640299098,1.895168207,1.22370106,0.663434407,0.360684977,0.07856742,0,0,0.606716516,0.315861368,0.174814437,0.094776344,0.051526425,0.03928371,0,0,7.340282516,11.99417334,11.5254902,11.68,7.875902994,90.72467545,0.61169021,0.999514445,0.960457516,0.973333333,0.65632525,7.560389621,1.28842,24.777,18.09925825,25.29161865,36.19851651,6.033086084,18.09925827,0.064833572,0.010805595,-1.641559038,30.97618464,5.16269744,2.059931203,29,0,0,1,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,1,0,0,0,0,3,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,6.416666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.645138889,0,0,0,0,1.645138889,0,0,0,0,0,0,0,0,1.916666667,0,0,0,0,5.449074074,0,0,0,0,0.967592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,0.967592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.505555556,0,0,0,0,0.505555556,0,0,0,0,0,0,0,0,1.916666667,0,0,0,0,1.662037037,0,0,0,0,0.967592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,1.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.621875,0,0,0,0,0.621875,0,0,0,0,0,0,0,0,1.916666667,0,0,0,0,1.916666667,0,0,0,0,0.967592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.16666667,2.194444444,0.621875,4.833333333,0.347222222,0.967592593,2.650791667,0.699074074,1.333333333,2.666666667,0.699074074,1.333333333,2.666666667,2.83333,0.47222,0,0.02778,0.56389,0.82778,0.43333,0.49792,0.82778,0.13056,0.06597,-0.06458,0,0.57047,0.14382,0,0.17647,0.17647,0,8.5,1.41667,3.5,0.58333,5,0.83333,1.5,0.25,0,0,2.05222,0.34204,5.2306,3.17838,0.52973,1.07475,0.17913,2.89384,1.81909,0.30318,0.02016,0.00336,0.10616,0.01769,0.416666667,6.01,0,1,1,1,0,0,0.2,1.325011211,2.625814584,3.022055209,3.188721876,3.188721876,3.188721876,15.90013453,31.509775,36.26466251,38.26466251,38.26466251,38.26466251,0.36960253,0.732452455,0.842980982,0.889471473,0.889471473,0.889471473,2.25995129,0.959147917,0.562907292,0.396240625,0.396240625,0.396240625,0.343446796,0.680618849,0.783325582,0.826526071,0.826526071,0.826526071,11.5975153,21.7110683,23.94243868,24.11040952,24.11040952,24.11040952,21.17790507,15.93734375,14.01278229,13.74862188,13.74862188,13.74862188,4.166666667,1.632653061,0.979591837,0,5,0,1.9,0.6772,0,1.144714243,1,0,2.381101578,1.889881575,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.158,0.16,0.453,0.403,2.539,7,7,7,2,0,0,0,0,0,35,2.251291799,2.724579503,3.107944264,3.49839971,2.409194828,0,0,0,0,0,4.535954075,2.6375,0.333333333,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0.166666667,0,2,3,0.5,1,0.444444444,0.222222222,0,0,0,0,0,0,0,0.166666667,0.063492063,0.111111111,0,0,0,0,0,0,0,0.341269841,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,13.14,75.29723243,3.584962501,3.295836866,4.007333185,4.762173935,5.493061443,6.251903883,6.989335266,7.747164967,8.487764381,9.243871855,68.27844578,2.564949357,0,3.713572067,2.397895273,5.017279837,4.442651256,6.385194399,6.224558429,7.788626066,8.245646901,82.04186481,6.836822068,11.57549817,1.929249695,2.891111036,2.891111036,0,26,2,0.945,26,1.370381855,2.371901411,3.286196527,4.134134625,5.246076717,0,0,0,0,0,138.7523037,171.1951078,100.425399,37.27195022,5.330349694,0,0,0,0,0,373.6515405,484.8812011,458.4584775,377.9419469,163.067708,0,0,0,0,0,10.83870652,18.58949668,25.70947856,28.96528061,35.24557757,0,0,0,0,0,2.464694217,3.337791012,3.641646928,3.832720697,2.332473408,0,0,0,0,0,196.2022049,363.7355147,532.8387352,669.6672827,970.0921889,0,0,0,0,0,4.969348637,7.51369883,8.448927893,7.11595171,5.246076717,0,0,0,0,0,0.567871389,0.794885449,0.855521365,0.833633417,0.537198256,0,0,0,0,0,228.8625377,93.79169287,11.52110858,80.88144824,-33.14656924,-11.86193054,147.9810895,126.9382621,23.38303911,0.738876453,0.302803919,0.037195584,0.261123547,-0.107012794,-0.038295919,70.88879467,29.0514128,3.568594093,25.05254217,-10.26695048,-3.674161646,0.218577258,0.78602457,6.706667409,25.16083817,277.7337421,32.01024387,0.896655802,0.103344198,393.8796371,19.84640111,7.330290335,452.6387904,21.27530941,7.678043881,589.1615695,24.27265065,8.383231711,2.452849609,2.452849609,233.1792849,162.0582266,84.27027026,1.438861142,2.767040905,1.923077095,3.356922971,3.576117647,5.700263739,0.593981044,1.91841112,1.811314174,2.986467768,4.656983357,2.320014262,3.597601999,1.639535091,3.211944976,0.689365218,0.133673494,1.31E-04,1.67E-28,4.31E-74,2.14E-141,2.05E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.161029016,1.990877972,1.166127321,4.217549815,1.448157862,0.172665264,0.999601856,0.164681003,0.048766236,9.41E-04,9.24E-07,1.18E-30,3.03E-76,1.51E-143,1.44E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.519748159,1.656965984,1.431445914,3.549250594,1.05714806,0.551837955,1.077861531,0.600715662,0.163411308,0.009810881,9.63E-06,1.23E-29,3.16E-75,1.57E-142,1.50E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.810825453,1.990193343,2.914956441,5.049426982,2.638058141,3.481708503,1.763816627,2.959601206,0.644447311,0.119100678,1.17E-04,1.49E-28,3.84E-74,1.90E-141,1.82E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765997609,1.530076555,1.649121069,3.35035841,0.966422428,0.854649296,1.100992383,0.95526017,0.246896385,0.021310542,2.09E-05,2.67E-29,6.86E-75,3.41E-142,3.26E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.316752448,1.924618238,3.480216599,5.163800587,2.853280506,4.974776825,1.921066674,4.220962804,0.862148945,0.194950225,1.91E-04,2.44E-28,6.28E-74,3.12E-141,2.98E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.026510044,2.018087197,2.107933855,5.372263825,2.657944817,1.619844512,1.583500967,1.353677906,0.337239926,0.035762829,3.51E-05,4.48E-29,1.15E-74,5.72E-142,5.47E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.319235744,1.336761723,0.199707617,0.683574411,0.27529714,0.606408763,0.569129204,0.331713964,4.855705083,5.366865449,11.10867868,0.525361617,1.507251931,1.944474304,1.039099155,0.090106229,0.632620996,0.338063579,0.206312254,0.363157205,0.050500134,3.073679689,2.28934016,5.545079628,0.456026861,0.619969593,2.548309753,1.018886805,0.121085523,0.690920514,0.276249696,0.355986909,0.333039631,0.118046605,3.688282081,3.028375044,7.031048322,0.536380772,0.807073145,3.185349978,1.352722551,0.202458699,0.671939457,0.285352524,0.558402128,0.583965383,0.335951434,4.740531228,5.227667009,10.84057146,0.507909185,1.478318945,2.847152138,1.053505584,0.132641956,0.705911379,0.261201911,0.444970902,0.353893716,0.147167157,4.033299678,3.516881545,7.948039532,0.558867069,0.946031775,3.407466219,1.39629932,0.213809466,0.679106185,0.278281704,0.639404029,0.620771851,0.379576859,5.017575006,5.784933311,11.81978014,0.518659277,1.639752739,3.247600804,1.33215149,0.198187187,0.679707396,0.278812969,0.580397496,0.565555323,0.325334362,4.777939482,5.233944477,10.86930044,0.519561094,1.471287181 +UMLMON0094,L,2-methylfuran,CC1=CC=CO1,10797,Sandia values and co-optima values are from co-optima api report therefore we should go with UML values ,"Sandia, UML",[6],C5H6O,PubChem,,86,0,0.4575,0.20930625,49.2346,30.028688,6,6,27,11,16,0,11,0,0,0,0,0,0,0,0,0,1603.162355,1780.618739,2089.387452,1840.314346,1371.200719,1152.261942,955.505213,648.773499,289.634857,5156.02583,6494.471781,8627.150907,8475.846502,6861.085948,5686.981859,4680.183514,3531.910628,2058.624615,190.4411,196.827788,343.926768,443.85796,399.883516,336.20028,273.31538,210.805932,166.456036,37.79170648,48.49460896,68.87187532,72.19035752,60.48302459,50.12363292,41.10210406,31.74308232,20.37324227,4353.420349,3844.69868,7256.509721,10082.93088,9243.180173,7827.815227,6348.860072,4832.6429,4030.154205,51.77777778,62.91666667,94.83333333,107.25,92,77.66666667,65.5,53.5,37.5,59.37638352,65.94884219,43.52890525,29.21133883,24.05615296,24.00545712,24.50013367,21.6257833,12.06811904,190.9639196,240.5359919,179.7323106,134.5372461,120.3699289,118.4787887,120.0047055,117.7303543,85.77602562,7.053374074,7.289918074,7.165141,7.045364444,7.015500281,7.0041725,7.008086667,7.0268644,6.935668167,1.399692833,1.796096628,1.434830736,1.145878691,1.061105695,1.044242352,1.053900104,1.058102744,0.848885095,161.2377907,142.3962474,151.1772859,160.046522,162.1610557,163.0794839,162.7912839,161.0880967,167.9230919,1.917695473,2.330246914,1.975694444,1.702380952,1.614035088,1.618055556,1.679487179,1.783333333,1.5625,0.060763864,-0.001064271,-0.023784825,-0.011953727,-0.004340014,0.00872249,0.003422451,-0.008222923,-8.90E-04,789.1710216,-9.17E-13,-196.7945414,-38.86069425,-78.71781655,13.94999281,7.971424461,-168.3963417,-37.86426619,1467.497214,3.69E-13,-365.9478531,-72.26312036,-146.3791412,25.94060731,14.82320418,-313.1401882,-70.41021984,0.154593185,1.50E-15,-0.0385507,-0.007612543,-0.01542028,0.002732708,0.001561547,-0.032987687,-0.00741735,6.560395338,1.64E-14,-1.635957171,-0.32304977,-0.654382868,0.115966584,0.06626662,-1.399882339,-0.314766443,35.6361716,-1.86E-13,-8.886545317,-1.75481148,-3.554618127,0.629932326,0.359961329,-7.604183081,-1.709816314,4.66255144,0.389917695,0.040237769,-0.116941015,-0.958390489,-0.39391861,0.135573845,-1.149748514,-0.539551898,0.002250513,-3.94E-05,-4.96E-04,-1.90E-04,-7.61E-05,1.82E-04,8.78E-05,-2.74E-04,-3.71E-05,29.22855636,-3.39E-14,-4.099886279,-0.616836417,-1.381014325,0.29062485,0.204395499,-5.613211391,-1.577677758,54.35174865,1.37E-14,-7.623913607,-1.147033657,-2.56805511,0.540429319,0.380082158,-10.43800627,-2.93375916,0.005725674,5.57E-17,-8.03E-04,-1.21E-04,-2.71E-04,5.69E-05,4.00E-05,-0.00109959,-3.09E-04,0.242977605,6.07E-16,-0.034082441,-0.005127774,-0.011480401,0.002415971,0.001699144,-0.046662745,-0.013115268,1.319858207,-6.88E-15,-0.185136361,-0.02785415,-0.062361722,0.01312359,0.009229778,-0.253472769,-0.071242346,0.17268709,0.014441396,8.38E-04,-0.001856207,-0.016813868,-0.008206638,0.003476252,-0.03832495,-0.022481329,-0.017514869,-0.220179616,-0.0843104,-0.033832541,0.080745366,0.038993394,-0.12179329,-0.016486688,-1.16E-15,-0.140269886,-0.021103896,-0.047248804,0.009943182,0.006993007,-0.192045455,-0.053977273,2.52E-16,-0.140269886,-0.021103896,-0.047248804,0.009943182,0.006993007,-0.192045455,-0.053977273,9.73E-15,-0.140269886,-0.021103896,-0.047248804,0.009943182,0.006993007,-0.192045455,-0.053977273,2.50E-15,-0.140269886,-0.021103896,-0.047248804,0.009943182,0.006993007,-0.192045455,-0.053977273,-5.21E-15,-0.140269886,-0.021103896,-0.047248804,0.009943182,0.006993007,-0.192045455,-0.053977273,0.083627538,0.004854369,-0.01074896,-0.097366098,-0.047523169,0.020130355,-0.221932921,-0.130185349,1.140747488,1.178877028,0.96976739,0.927731944,0.816704294,0.928106274,1.227734979,1.079698648,1.181818182,1.204900568,0.981331169,0.979665072,0.9140625,0.920454545,1.130113636,0.9140625,1.181818182,1.204900568,0.981331169,0.979665072,0.9140625,0.920454545,1.130113636,0.9140625,1.181818182,1.204900568,0.981331169,0.979665072,0.9140625,0.920454545,1.130113636,0.9140625,1.181818182,1.204900568,0.981331169,0.979665072,0.9140625,0.920454545,1.130113636,0.9140625,1.181818182,1.204900568,0.981331169,0.979665072,0.9140625,0.920454545,1.130113636,0.9140625,1.084289497,0.960047992,0.903574581,0.95928369,0.943912732,0.953221536,1.394086496,1.190782215,59.99336577,29.99668289,47.93384902,59.99336577,5.453942343,29.99668289,3.55E-14,0.329569039,0.029960822,-1.220966362,64.17512907,5.834102643,4.577777312,59.99336577,29.99668289,47.93384902,59.99336577,5.453942343,29.99668289,3.55E-14,0.329569039,0.029960822,-1.220966362,64.17512907,5.834102643,4.577777312,59.99336577,29.99668289,47.93384902,59.99336577,5.453942343,29.99668289,3.55E-14,0.329569039,0.029960822,-1.220966362,64.17512907,5.834102643,4.577777312,59.99336577,29.99668289,47.93384902,59.99336577,5.453942343,29.99668289,3.55E-14,0.329569039,0.029960822,-1.220966362,64.17512907,5.834102643,4.577777312,59.99336577,29.99668289,47.93384902,59.99336577,5.453942343,29.99668289,3.55E-14,0.329569039,0.029960822,-1.220966362,64.17512907,5.834102643,4.577777312,59.99336577,29.99668289,47.93384902,59.99336577,5.453942343,29.99668289,3.55E-14,0.329569039,0.029960822,-1.220966362,64.17512907,5.834102643,4.577777312,73.64333945,36.40367326,59.97117654,73.55059382,6.68641762,36.40367326,-0.204040404,0.437369622,0.039760875,-0.909674286,51.04695638,4.640632398,4.326020515,0,11.85,12.15012665,-0.210044168,0.090103887,5.167069235,8.679788829,11,27,24,21,5,3,0,0,0,6,17.491312,3.784950451,3.37705281,2.968138691,2.619181914,2.541369777,2.049918072,1.532949974,1.176699101,1.992907842,1.816898348,1.512368598,1.150336295,1.082250302,0.876097562,0.687833891,0.540021341,3.797292189,3.407348314,3.002860007,2.645815032,2.579659574,2.113647325,1.627406565,1.296157496,1.957995891,1.75462288,1.432184311,1.056798699,1.007167592,0.770529509,0.550479965,0.385155814,3.853733575,3.540006644,3.161598785,2.771820215,2.752675541,2.38163516,2.015427303,1.768239217,1.865505868,1.566310926,1.194083098,0.798620231,0.788259002,0.432191275,0.086954406,0.147460824,3.806488942,3.429648672,3.028828747,2.665925019,2.608091235,2.160063286,1.69569063,1.381307314,1.936796967,1.714423842,1.380752678,0.997543548,0.960278991,0.701213769,0.458051064,0.280407236,3.88280068,3.604030915,3.241086113,2.840120424,2.838078588,2.503130463,2.186427584,1.968657992,1.839054952,1.506517942,1.120654222,0.738564276,0.708036826,0.315972145,0.078257207,0.343315573,3.875694249,3.382428439,3.040308532,2.791401635,2.65423166,2.200572825,1.742056639,1.448338562,1.906860402,1.707349673,1.345183178,0.934761822,0.827285437,0.616042254,0.369182662,0.181755924,0,0,0,5,1,1,4,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.612372436,0.649519053,0.219416097,0.27300174,0.255985446,7.9413113,5.431851653,3.999817761,2.940670698,2.158827503,1.573206584,0.781474414,0.450523785,0.721937391,0.493804696,0.333318147,0.226205438,0.154201964,0.104880439,0.078147441,0.056315473,7.215178471,4.471343774,2.942705341,1.911829883,1.223801383,0.754431252,0.396628759,0.202804581,0.655925316,0.406485798,0.245225445,0.147063837,0.087414385,0.050295417,0.039662876,0.025350573,15.33462243,26.10269483,24.80392157,25.08,17.38843593,204.4541246,0.567948979,0.966766475,0.918663762,0.928888889,0.644016145,7.572374983,3.4193,49.671,51.9574535,77.50879761,103.914907,9.446809727,51.9574535,0.167455243,0.015223204,-1.965743086,60.22890153,5.475354685,4.507967562,135,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,5,0,0,5,0,0,0,0,0,0,0,0,1,0,4,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.17865623,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.006906848,0,1.365940374,0,0,2.006906848,0,0,0,0,0,0,0,0,2.241064815,0,5.246945625,0,0,10.70555437,0,0,0,0,1.473101852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.473101852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384550737,0,0.228047446,0,0,0.384550737,0,0,0,0,0,0,0,0,2.241064815,0,1.244722222,0,0,2.072738804,0,0,0,0,1.473101852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.204027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.420960845,0,0.359305556,0,0,0.420960845,0,0,0,0,0,0,0,0,2.241064815,0,1.356045918,0,0,2.204027778,0,0,0,0,1.473101852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.66666667,1.787878788,0.420960845,2.241064815,0.127152778,1.244722222,6.99274892,0.255277778,0.241064815,1.893238379,0.255277778,0.241064815,1.893238379,5.5,0.5,0,0,0.46296,0.7,0.43333,0.43333,0.7,0.02963,0.02963,0,0,0.71429,0,0,0.09091,0.09091,0,11.5,1.04545,5.5,0.5,6,0.54545,0.5,0.04545,0,0,7.71013,0.70092,12.43916,4.72903,0.42991,3.44966,0.31361,5.43185,1.98218,0.1802,-0.01785,-0.00162,0.06815,0.0062,0.222222222,11,0,0,0,0,0,0,0.454545455,0.975119065,2.309409122,3.250102669,3.884155095,3.954530448,4.134336113,26.32821475,62.3540463,87.75277208,104.8721876,106.7723221,111.6270751,0.20507721,0.485691643,0.683528825,0.816876339,0.831676974,0.869491888,3.779768437,2.44547838,1.504784833,0.870732408,0.800357055,0.620551389,0.198724436,0.470646141,0.662354827,0.79157157,0.805913719,0.842557223,6.784181073,16.95897493,21.81928312,23.57986019,24.46502141,24.64623406,41.99082118,31.0845179,22.77627261,18.96652871,17.85363233,17.21381343,9.090909091,5.625,3.786982249,5,6,5,2.67,1.4209,0,2.186856613,0.2,0,13.41571659,4.797076866,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,5.416,12,13,14,15,10,8,6,4,2,106,2.708050201,3.068052935,3.457892725,3.863357833,4.275797686,3.702843994,3.626006212,3.49839971,3.270044111,2.784239339,5.839187112,3.231132075,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.363636364,5,0.454545455,0,4,8,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.060408163,0.043402778,0.020408163,0,0,0.090909091,0.037037037,0.01875,0.021587302,0.015046296,0.012081633,0.014467593,0.020408163,0,0,0.230287114,34.32060963,53.5859143,68.64121927,6.240110842,34.32060963,0.17694249,0.016085681,-1.905123564,65.6628702,5.969351836,4.602986987,0,167.6464548,4.459431619,3.850147602,4.574710979,5.323009979,6.070737728,6.831953566,7.588323677,8.354909528,9.115040192,9.884151816,83.59298507,3.135494216,0,4.262679877,0,5.59471138,0,7.020190708,0,8.491465043,8.758098072,148.1252005,5.486118537,21.70652558,1.973320508,0,0,0,182,10,4.645,46,1.237974213,2.165070982,2.935551647,3.732819922,4.803879438,5.755821528,6.85015009,7.847245303,9.080821211,10.159981,91.72403858,102.7644087,95.25653819,106.0237765,131.4299719,160.6443036,164.3086487,102.5083112,43.53963766,10.32319094,321.3314287,411.9283872,421.925787,499.5545951,615.2418874,749.2120249,857.6958542,706.7701495,541.0676517,315.8102529,9.056988609,15.55848102,20.74253067,26.31713809,33.75192591,40.47965522,48.27151445,54.54802227,62.24409952,68.25946661,2.351319141,3.240938333,3.527987622,4.279376322,5.297897015,6.430437251,7.57618277,6.901513539,6.106962057,4.517258667,174.2745411,324.1333777,465.4838373,595.7712301,775.8788916,926.6155285,1093.366023,1308.275015,1580.837785,1878.759832,2.969750853,4.392657058,5.134174016,6.291781564,8.011497157,10.03797914,12.60844363,12.59180312,12.17457902,10.159981,0.484370495,0.677048473,0.746088002,0.908658162,1.126640937,1.366528236,1.615959753,1.497474562,1.355577167,1.040382055,333.2686572,200.0221614,12.98841826,83.81065614,-50.30172573,-4.969674478,249.458001,250.3238871,17.95809274,0.799053433,0.479578236,0.031141363,0.200946567,-0.120604701,-0.011915418,138.9994627,83.42510571,5.417200568,34.95569091,-20.97980922,-2.072748419,0.103349798,0.10876044,2.517226456,1.026110747,417.0793133,0,1,0,788.965793,28.0885349,9.240299714,945.0199318,30.74117649,9.813267923,1326.554667,36.42189818,10.98774024,2.445515293,2.445515293,1322.464392,1265.949253,136.9668613,1.044642499,9.655360274,9.242741205,5.095749307,5.645455692,10.31108427,0.826439677,4.87082015,5.666908742,4.370052361,21.77670372,7.65074014,4.386218973,5.089629609,11.17513359,8.595295475,2.956840294,4.666002459,3.271324443,4.43976254,3.341925054,3.652503669,1.401032455,1.704930523,1.016452392,0.436623736,0.052998374,3.98E-21,5.93E-62,1.74E-124,1.01E-208,1.1478544394E-314,0,0,0,0,0,0.408883791,5.666678976,0.343414885,6.154273353,0.988523922,1.167397094,0.564748047,1.624923266,2.535466734,0.472366936,1.297656773,0.857398494,1.190373228,0.186025434,1.088120879,0.193156039,0.097855539,0.008776621,0.003463658,3.73E-04,2.81E-23,4.18E-64,1.23E-126,7.12E-211,8.0844327E-317,0,0,0,0,0,1.319660127,5.666694839,1.123318927,7.369922806,1.527758886,1.575867134,1.427549702,2.929401551,3.536410589,0.812641682,1.804393704,1.140097292,1.64317063,0.625703264,1.394000965,0.437538768,0.344753324,0.078757945,0.033043795,0.003889781,2.92E-22,4.35E-63,1.28E-125,7.42E-210,8.42460216E-316,0,0,0,0,0,4.597663603,5.666883696,4.108679743,20.12224927,6.952559804,4.101232665,4.791102391,10.36232408,8.1408294,2.745713346,4.395828664,3.049242218,4.166379151,3.076374786,3.418546663,1.326319241,1.57784173,0.906754639,0.389291381,0.047220598,3.55E-21,5.29E-62,1.55E-124,9.00E-209,1.02271764E-314,0,0,0,0,0,1.944879529,5.666714944,1.671174768,8.790318397,2.141599329,1.930071658,2.037895638,4.01637606,4.293599377,1.095773588,2.205940211,1.396524879,2.016495413,0.988251136,1.66857764,0.605944346,0.538333202,0.167092083,0.070819575,0.008449124,6.35E-22,9.46E-63,2.78E-125,1.61E-209,1.829936164E-315,0,0,0,0,0,5.882195893,5.667013942,5.354675337,28.69499907,10.56542903,5.54123557,6.21937271,14.44365138,10.37277281,3.805571656,5.738963105,4.177960903,5.536519761,4.407284299,4.606131783,1.678533736,2.208075282,1.477123917,0.635507568,0.077293148,5.81E-21,8.65E-62,2.54E-124,1.47E-208,1.6740378225E-314,0,0,0,0,0,2.69864605,4.697544141,2.393404189,10.37883899,3.064064932,2.47691707,2.806915878,5.407119331,4.966960833,1.406440978,2.639048823,1.761519308,2.570488763,1.50769035,2.400930109,0.916654319,0.880913514,0.324570742,0.138174679,0.016580072,1.25E-21,1.86E-62,5.46E-125,3.16E-209,3.590960887E-315,0,0,0,0,0,9.567097904,1.217144222,0.615098304,0.839267672,0.106773215,0.553951554,0.386756286,0.353549001,11.39934043,18.27790697,36.83978293,0.758901508,1.294256842,8.630593796,0.653019677,0.271621675,0.903231963,0.06834156,0.451053861,0.111542135,0.069216013,9.555235148,8.15757821,19.24365888,0.854847944,0.63181201,8.967111741,0.855742486,0.395153841,0.877579239,0.083748465,0.486808324,0.191362474,0.146332455,10.21800807,11.55507707,24.80531334,0.816368858,0.824503253,9.539980859,1.200811923,0.605164865,0.840826412,0.105836101,0.550823031,0.376458674,0.342272173,11.34595765,17.95567317,36.23423174,0.761239618,1.269553878,9.131114167,0.954536107,0.455309475,0.866250738,0.090554952,0.50472931,0.238019738,0.194142444,10.54095975,13.3080703,27.81749749,0.799376108,0.936891493,9.653530958,1.269200706,0.646756078,0.834395712,0.109702412,0.563982775,0.420505031,0.390692853,11.56948774,19.3166114,38.81032813,0.751593568,1.375180659,9.571385668,1.203880433,0.604553494,0.84108413,0.105790819,0.554440393,0.378345739,0.341539406,11.3798196,18.0370287,36.38299967,0.761626196,1.274325538 +UMLMON0095,L,1-phenylpentane,CCCCCC1=CC=CC=C1,10864,"""Pentylbenzene""",UML,[1],C11H16,PubChem,,81.7,0,2.1019,4.41798361,48.7581,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2016.744924,1710.103761,1293.563551,1007.912141,522.71285,110.065536,6.096384,4670.34144,5841.481647,7938.731209,7970.965389,6275.515845,5005.196641,3409.632809,1321.981609,186.5024666,169.463656,175.052008,301.220976,383.368068,397.08934,255.155828,250.693832,144.281088,40.310784,34.11358067,43.47862034,62.19060946,67.18241709,55.80050475,43.11292237,32.73540406,14.68832224,2.667677429,3856.790689,3411.659229,6337.774435,8413.205104,9465.745903,5635.131594,5968.477003,3628.909858,1109.505912,48.80555556,58.83333333,86.72222222,102.3333333,90.66666667,70.83333333,59.33333333,29,6,60.70275442,67.17251842,48.01773629,31.66858817,22.69409739,27.99755947,14.51980139,5.241216,1.016064,194.59756,243.3950686,189.0174097,147.6104702,110.0967692,139.03324,94.71202247,62.95150517,31.08374443,7.060985667,7.293833667,7.171928,7.099408667,6.966479649,7.087661889,6.963717556,6.870528,6.718464,1.421399194,1.811609181,1.480728797,1.244118835,0.978956224,1.197581177,0.909316779,0.699443916,0.444612905,160.6996121,142.1524679,150.8993913,155.8000945,166.0657176,156.5314332,165.7910279,172.8052313,184.917652,2.033564815,2.451388889,2.064814815,1.895061728,1.590643275,1.967592593,1.648148148,1.380952381,1,0.055969628,-0.002325399,-0.015537944,-0.022174919,0.014215111,-0.009076265,-0.004455644,0.002757718,0.008612528,706.2183858,-6.39E-14,-35.31091929,-348.0647759,279.9651458,-302.6650225,-110.9771749,37.83312781,126.110426,1313.243245,2.13E-13,-65.66216225,-647.2413136,520.6071436,-562.8185336,-206.3667957,70.3523167,234.5077223,0.138343333,2.24E-15,-0.006917167,-0.0681835,0.05484325,-0.05929,-0.021739667,0.00741125,0.024704167,5.870808328,1.36E-14,-0.293540416,-2.893469819,2.327356159,-2.516060712,-0.922555594,0.314507589,1.04835863,31.89032402,-1.08E-13,-1.594516201,-15.71737398,12.64223559,-13.66728172,-5.011336631,1.708410215,5.694700717,4.795138889,-0.524305556,1.014756944,-2.671006944,2.22265625,-1.953125,-1.039930556,-0.19921875,0.752604167,0.002332068,-9.69E-05,-3.70E-04,-4.11E-04,2.49E-04,-2.52E-04,-1.24E-04,1.31E-04,0.001435421,29.42576608,-2.66E-15,-0.840736174,-6.445643998,4.911669225,-8.407361736,-3.082699303,1.801577515,21.01840434,54.71846854,8.88E-15,-1.563384816,-11.98595025,9.133458659,-15.63384816,-5.73241099,3.350110319,39.08462039,0.005764306,9.32E-17,-1.65E-04,-0.001262657,9.62E-04,-0.001646944,-6.04E-04,3.53E-04,0.004117361,0.244617014,5.67E-16,-0.006989058,-0.053582774,0.04083081,-0.069890575,-0.025626544,0.014976552,0.174726438,1.328763501,-4.50E-15,-0.037964671,-0.291062481,0.221793607,-0.379646714,-0.139203795,0.081352867,0.949116786,0.199797454,-0.021846065,0.02416088,-0.049463092,0.038993969,-0.054253472,-0.02888696,-0.009486607,0.125434028,-0.041547521,-0.158636483,-0.17608692,0.106938532,-0.10810941,-0.053072163,0.056310503,0.615514368,-9.06E-17,-0.028571429,-0.219047619,0.166917293,-0.285714286,-0.104761905,0.06122449,0.714285714,1.62E-16,-0.028571429,-0.219047619,0.166917293,-0.285714286,-0.104761905,0.06122449,0.714285714,1.62E-14,-0.028571429,-0.219047619,0.166917293,-0.285714286,-0.104761905,0.06122449,0.714285714,2.32E-15,-0.028571429,-0.219047619,0.166917293,-0.285714286,-0.104761905,0.06122449,0.714285714,-3.38E-15,-0.028571429,-0.219047619,0.166917293,-0.285714286,-0.104761905,0.06122449,0.714285714,-0.109341057,0.120926865,-0.247566176,0.195167499,-0.271542361,-0.144581221,-0.047481121,0.627805938,1.132449451,1.072368745,1.118579938,0.703183479,1.208976695,1.078929313,0.909690408,0.304806016,1.15,1.079591837,1.204761905,0.726315789,1.25952381,0.985714286,0.751020408,0,1.15,1.079591837,1.204761905,0.726315789,1.25952381,0.985714286,0.751020408,0,1.15,1.079591837,1.204761905,0.726315789,1.25952381,0.985714286,0.751020408,0,1.15,1.079591837,1.204761905,0.726315789,1.25952381,0.985714286,0.751020408,0,1.15,1.079591837,1.204761905,0.726315789,1.25952381,0.985714286,0.751020408,0,1.276852522,0.813696079,1.201598412,0.629952869,1.393434709,1.139914716,0.913623668,0,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,55.69519662,27.48193295,44.1417483,55.61286329,5.561286329,27.48193295,-0.205833333,0.393826147,0.039382615,-0.931845719,44.79299697,4.479299697,3.80205181,0,11.85,12.1501118,-0.210039885,0.090093376,5.915046875,8.758382354,10,24,21,18,4,3,0,0,0,6,15.304898,3.789006766,3.342782532,2.714137024,2.619181914,2.333552793,1.991026675,1.03455174,0.941428501,1.995474402,1.769108092,1.249629723,1.227481199,1.082250302,0.800475879,0.388803438,0.310513972,3.801300174,3.371187395,2.743216118,2.645815032,2.405454588,2.052252479,1.149393199,1.053336623,1.960998231,1.707192926,1.144381645,1.134540686,1.007167592,0.695427315,0.232322697,0.150156259,3.857488743,3.497438938,2.882184644,2.771820215,2.704236987,2.31168365,1.613351017,1.517793787,1.869199643,1.522809906,0.911976488,0.798620231,0.76031856,0.361064127,0.302656236,0.396843083,3.810459515,3.392201239,2.765246681,2.665925019,2.457539916,2.096944796,1.232027611,1.134811365,1.940003944,1.667461651,1.092229137,1.058262671,0.960278991,0.626486411,0.126668645,0.041902902,3.886396736,3.559369045,2.955930475,2.838982085,2.838078588,2.43062749,1.813415419,1.721464227,1.842881827,1.46529297,0.845311077,0.738564276,0.631337262,0.24777654,0.49737482,0.594311107,3.843075836,3.358724458,2.788464865,2.756996632,2.56382137,2.121028081,1.262297895,1.255336616,1.934162481,1.654344749,1.055177718,0.942199748,0.858459866,0.557880517,0.058638967,0.089369861,0,0,0,5,1,2,1,1,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.612372436,0,0,0,0.526099421,0,0,0,0.642228525,1.041888478,1.093412989,0.40824829,0.568203574,0.497341749,7.397341225,4.7876937,4.133584955,2.529482726,2.089508593,1.454567768,0.595522031,0.319035594,0.739734123,0.47876937,0.344465413,0.210790227,0.149250614,0.103897698,0.074440254,0.053172599,6.671208396,3.827185822,3.083569555,1.486775213,1.085497855,0.621750457,0.247856683,0.116910982,0.66712084,0.382718582,0.25696413,0.123897934,0.077535561,0.044410747,0.030982085,0.019485164,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.8851,44.984,42.8834899,62.95133481,85.7669798,8.57669798,42.8834899,0.20866802,0.020866802,-1.567010712,39.432933,3.9432933,3.67460133,92,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,4,0,0,5,0,0,0,0,0,0,0,0,2,0,1,0,0,5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.0525,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.017018141,0,1.154509637,0,0,2.017018141,0,0,0,0,0,0,0,0,4.486111111,0,1.195277778,0,0,10.61037037,0.766111111,0,0,0,1.44212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.44212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.386597222,0,0.25461593,0,0,0.386597222,0,0,0,0,0,0,0,0,2.243055556,0,1.195277778,0,0,2.059351852,0.766111111,0,0,0,1.44212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422851474,0,0.359305556,0,0,0.422851474,0,0,0,0,0,0,0,0,2.243055556,0,1.195277778,0,0,2.180555556,0.766111111,0,0,0,1.44212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.5,1.85,0.422851474,2.243055556,0.128472222,0.766111111,6.300647778,0.567222222,0.243055556,2.192962963,0.567222222,0.243055556,2.192962963,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.77025,0.67703,11.44878,4.67852,0.46785,2.8055,0.28055,4.78768,1.98218,0.19822,0.12632,0.01263,0.21232,0.02123,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.345437252,3.006866543,3.40726823,3.605388542,3.605388542,23.51685016,56.29049406,72.16479704,81.77443751,86.52932501,86.52932501,0.213713581,0.511549931,0.655810498,0.743139825,0.786350715,0.786350715,3.605093744,2.239525248,1.578095958,1.177694271,0.979573959,0.979573959,0.206076118,0.493268716,0.632373856,0.716582301,0.758248968,0.758248968,6.772325919,17.12993833,20.02005558,22.60136356,22.80103417,22.80103417,37.92632204,28.30072848,23.50450824,19.55839636,19.00651667,19.00651667,8.1,4,3.111111111,4,6,3,2.56,1.28,0.5,2.921736458,2.309401077,0,7.732315986,5.638173476,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.151,0.144,0.514,0.649,4.689,12,12,14,14,8,6,4,0,0,90,2.63905733,3.068052935,3.425889994,3.884137802,4.282724121,3.684180933,3.595598464,3.446011397,0,0,5.696883733,3.299305556,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,0,3,6,1,2,0.444444444,0.4375,0.311111111,0.118055556,0.08,0,0,0,0,0.2,0.037037037,0.048611111,0.044444444,0.023611111,0.04,0,0,0,0,0.393703704,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,0,150.3504702,4.321928095,3.80666249,4.532599493,5.323009979,6.070737728,6.865891075,7.621195163,8.416046009,9.174609562,9.968479096,81.7792306,3.044522438,0,4.234106505,0,5.609471795,0,7.067319849,0,8.564267599,8.822174761,134.1095504,5.587897935,19.53512296,1.953512296,0,0,0,126,9,4.015,44,1.236512656,2.164893139,2.972026835,3.659293596,4.56951502,5.133377958,6.110736059,6.89017668,0,0,92.91185031,113.6894188,99.73067898,92.7325331,137.5065357,80.5737165,31.89507067,7.000860479,0,0,323.9803594,435.2000833,456.3252826,432.892308,657.7118569,513.18148,383.6797834,214.172491,0,0,9.050443239,15.57807896,21.14601639,25.56987818,32.41802114,35.84784872,41.97921029,46.29140398,0,0,2.364973853,3.358778008,3.809983369,3.77263303,5.594015405,4.862277544,4.266118654,3.063461469,0,0,173.8105839,323.0764279,459.6115134,601.9717126,713.3483057,843.2648233,1056.347337,1274.115294,0,0,3.110320404,4.618841899,5.739753288,6.017712973,9.089989763,8.722258016,8.426678369,6.89017668,0,0,0.486961494,0.699385126,0.804487555,0.8047512,1.185056689,1.049443129,0.944413034,0.705554092,0,0,281.4809422,152.5063086,11.40627028,80.22550987,-43.46616247,-4.772238689,201.2554323,195.9724711,16.17850897,0.778202713,0.421630048,0.031534606,0.221797287,-0.120169718,-0.013193679,101.8134729,55.1625158,4.125721553,29.01808454,-15.72199141,-1.726149524,0.114486752,0.115112832,2.33259961,0.999159556,361.706452,0,1,0,726.8842238,26.96079049,8.991284665,863.5642905,29.38646441,9.522805011,1260.551292,35.50424329,10.80239799,1.881577856,1.881577856,684.7027254,638.0471834,158.228628,1.073122401,4.327299896,4.032438324,4.385273631,4.443441828,7.963232428,0.792131581,4.313019043,4.718376127,4.219904881,16.92688574,3.969805921,7.606660033,6.852271374,9.032516812,6.173743988,2.460685802,5.145077108,2.958414696,2.061758656,1.271597638,1.71814109,4.99E-13,2.93E-47,3.44E-103,8.03E-181,3.71E-280,0,0,0,0,0,0,0,0,0,0,0.362071409,4.718203665,0.320295109,6.364459695,1.352085774,1.915353795,0.351300988,2.554590092,0.728437032,0.182850464,1.173155587,0.327708936,0.085016641,0.06848817,0.012101008,3.52E-15,2.06E-49,2.42E-105,5.66E-183,2.61E-282,0,0,0,0,0,0,0,0,0,0,1.168544053,4.718215621,1.055616701,7.641507844,1.626550945,2.852846605,1.174909508,3.621617746,1.332154153,0.564835768,1.903723397,0.667171917,0.332438009,0.246277818,0.126101835,3.67E-14,2.15E-48,2.52E-104,5.89E-182,2.72E-281,0,0,0,0,0,0,0,0,0,0,4.07114486,4.718357344,3.959709857,15.96931176,3.71761852,7.178919274,6.276208117,8.545641913,5.66074829,2.291886512,4.87355175,2.727488689,1.885530179,1.173962054,1.530832778,4.45E-13,2.61E-47,3.06E-103,7.16E-181,3.30E-280,0,0,0,0,0,0,0,0,0,0,1.722162239,4.71823073,1.578406665,8.779145213,1.892122666,3.562982814,1.889754324,4.42988936,1.89735924,0.851692051,2.429044194,0.958850433,0.54862657,0.388453283,0.273910037,7.96E-14,4.67E-48,5.48E-104,1.28E-181,5.91E-281,0,0,0,0,0,0,0,0,0,0,5.208570274,4.718455007,5.207660369,20.82541137,5.007924748,9.28045692,9.187369097,10.93772527,8.277101509,3.119000411,6.182622083,3.892768808,2.776944448,1.660328114,2.505747306,7.28E-13,4.27E-47,5.01E-103,1.17E-180,5.40E-280,0,0,0,0,0,0,0,0,0,0,2.384635892,3.717617015,2.114971537,9.693640947,1.941373299,4.451261201,2.872713161,5.416432489,2.497737768,1.111302522,3.168745491,1.427204365,0.870332758,0.597794022,0.502013467,1.46E-13,8.55E-48,1.00E-103,2.35E-181,1.08E-280,0,0,0,0,0,0,0,0,0,0,5.376272826,1.388346215,0.815192893,0.709288419,0.183163676,0.523255776,0.467385863,0.349228402,7.579811935,12.9785974,26.64311345,0.563932629,1.339870041,4.521775699,0.765469119,0.41851386,0.792493331,0.134157289,0.372708675,0.143888474,0.0939162,5.705758678,5.674064896,12.82841708,0.688739996,0.610513349,4.824583392,0.986749627,0.56005011,0.757227009,0.154872122,0.423069918,0.237802631,0.166884015,6.371383129,8.01529356,17.05288253,0.635840514,0.827756564,5.351010315,1.369996933,0.80357804,0.711136908,0.182069427,0.518429292,0.455241907,0.339530973,7.524585287,12.73172155,26.14723115,0.566705362,1.313202172,4.973877438,1.095616111,0.629420045,0.742490162,0.163551313,0.449104426,0.292525601,0.210050152,6.698913594,9.269721159,19.39863427,0.613735243,0.95168018,5.457003209,1.446960056,0.852269518,0.703563619,0.186554491,0.53883371,0.507234735,0.38106449,7.756232783,13.78010311,28.26591197,0.555345429,1.427132935,5.362975835,1.372072858,0.80293302,0.711460446,0.182021251,0.52077895,0.456634472,0.338951839,7.537981713,12.76618657,26.21246546,0.56719067,1.316365261 +UMLMON0096,L,isobutylbenzene,CC(C)CC1=CC=CC=C1,10870,,"Sandia, UML",[1],C10H14,PubChem,,98,0,2.4503,6.00397009,38.1492,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1725.25417,1334.803517,1150.572534,444.999744,54.867456,0,0,3947.642614,5029.877407,7256.714489,8103.085283,6657.887638,4410.271889,1678.522199,0,0,181.25648,180.900988,339.488488,447.331892,616.779096,316.700928,362.797056,0,0,30.31423229,39.56609758,59.5007813,73.17861874,66.1216493,44.0891113,24.00909686,0,0,4342.872585,3643.766351,7595.322043,9769.440382,15721.53703,7176.670586,9985.553209,0,0,43.59027778,51.04166667,78.58333333,112.75,115.5,81,54,0,0,45.09238923,49.11105724,35.94279521,21.18735741,12.78413927,9.8888832,1.016064,0,0,151.8324082,201.1950963,151.1815518,128.6204013,73.97652931,98.00604198,31.08374443,0,0,6.971403077,7.23603952,7.072676833,7.100506222,6.853101067,7.0377984,6.718464,0,0,1.165932011,1.582643903,1.23959961,1.161565377,0.734684992,0.979758029,0.444612905,0,0,167.033561,145.7506541,158.2358759,155.0704823,174.6837448,159.4815686,184.917652,0,0,1.676549145,2.041666667,1.637152778,1.78968254,1.283333333,1.8,1,0,0,0.034874423,-0.008917484,0.015414224,-0.049197905,0.041146175,-0.045353305,0.029471083,0,0,670.5194345,-58.02572029,196.2845353,-907.636884,640.4320239,-825.2546886,618.9410164,0,0,1246.859521,-107.9013047,364.999475,-1687.789543,1190.910696,-1534.596333,1150.94725,0,0,0.131350154,-0.01136684,0.038450793,-0.177799834,0.125456237,-0.161661728,0.121246296,0,0,5.574042193,-0.482369036,1.63171748,-7.54520455,5.323924915,-6.860359622,5.145269717,0,0,30.27828566,-2.620236259,8.863515246,-40.98567087,28.91964464,-37.26558235,27.94918676,0,0,4.000267094,-2.616442719,3.59566075,-6.340390779,6.364460059,-5.959596893,2.956176036,0,0,0.001341324,-3.57E-04,3.21E-04,-7.81E-04,4.57E-04,-0.001007851,5.46E-04,0,0,25.78920902,-2.321028812,4.089261152,-14.40693467,7.115911377,-18.33899308,11.46187067,0,0,47.95613541,-4.316052187,7.60415573,-26.79031021,13.23234107,-34.10214073,21.31383796,0,0,0.005051929,-4.55E-04,8.01E-04,-0.00282222,0.001393958,-0.003592483,0.002245302,0,0,0.214386238,-0.019294761,0.033994114,-0.119765152,0.059154721,-0.152452436,0.095282773,0,0,1.164549448,-0.10480945,0.184656568,-0.650566204,0.321329385,-0.828124052,0.517577533,0,0,0.153856427,-0.104657709,0.074909599,-0.100641123,0.070716223,-0.132435487,0.054744001,0,0,-0.265930799,0.239412456,-0.582200224,0.340842126,-0.751385368,0.406882155,0,0,-0.09,0.158564815,-0.558641975,0.275925926,-0.711111111,0.444444444,0,0,-0.09,0.158564815,-0.558641975,0.275925926,-0.711111111,0.444444444,0,0,-0.09,0.158564815,-0.558641975,0.275925926,-0.711111111,0.444444444,0,0,-0.09,0.158564815,-0.558641975,0.275925926,-0.711111111,0.444444444,0,0,-0.09,0.158564815,-0.558641975,0.275925926,-0.711111111,0.444444444,0,0,-0.680229686,0.486879882,-0.654123624,0.459624758,-0.860773186,0.355812245,0,0,1.801167903,0.78815335,1.85664522,0.360289243,2.06096631,2.36E-05,0,0,1.625,1.03443287,1.79122575,0.451388889,1.805555556,0,0,0,1.625,1.03443287,1.79122575,0.451388889,1.805555556,0,0,0,1.625,1.03443287,1.79122575,0.451388889,1.805555556,0,0,0,1.625,1.03443287,1.79122575,0.451388889,1.805555556,0,0,0,1.625,1.03443287,1.79122575,0.451388889,1.805555556,0,0,0,2.284569673,0.330924084,1.997427802,0.151899579,2.499833077,0,0,0,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,47.51137915,23.60404027,36.42074143,47.28390519,5.910488149,23.60404027,-0.303298611,0.069676456,0.008709557,-2.131114248,29.6799635,3.709995438,2.712377751,0,11.89,12.11011416,-0.159339712,0.061922972,5.9119375,8.904306431,7,25,25,25,7,0,0,0,0,0,19.677726,3.592008556,3.179705212,2.333552793,2.333552793,2.333552793,2.167113911,1.048880678,0.462707667,1.954137036,1.700210789,1.249629723,1.249629723,1.249629723,1.068398448,0.391977468,0.083923071,3.615439298,3.214821748,2.405454588,2.405454588,2.405454588,2.235900366,1.162535052,0.568769731,1.89931099,1.625172106,1.134540686,1.134540686,1.134540686,0.953162997,0.236164495,0.270913902,3.720228904,3.370103217,2.704236987,2.704236987,2.704236987,2.526266251,1.621470524,0.966353878,1.741484876,1.401130811,0.76031856,0.76031856,0.76031856,0.581431987,0.295298608,0.943918427,3.632796401,3.240763222,2.457539916,2.457539916,2.457539916,2.286022252,1.244238386,0.643043341,1.864692752,1.577040195,1.058262671,1.058262671,1.058262671,0.876980678,0.131040995,0.399277246,3.772273965,3.445738001,2.838982085,2.838982085,2.838982085,2.659090551,1.819820028,1.207644823,1.693409454,1.330703101,0.631337262,0.631337262,0.631337262,0.454834927,0.48816063,1.124443599,3.592231329,3.276863964,2.607254599,2.607254599,2.607254599,2.327374127,1.296485879,0.62512708,1.89351304,1.522549093,0.903112587,0.903112587,0.903112587,0.800458083,0.037656838,0.568047337,0,0,0,0,0,5,1,1,1,0,0,0,0,0,0,0,0,0,0,1.968908462,0.353553391,0,0,1.968908462,0.353553391,0,0,0.816496581,2.041241452,1.020620726,0.816496581,2.041241452,1.020620726,6.78445705,3.416502219,4.158631167,1.020620726,1.224744871,0,0,0,0.848057131,0.488071746,0.415863117,0.204124145,0.204124145,0,0,0,6.78445705,3.416502219,4.158631167,1.020620726,1.224744871,0,0,0,0.848057131,0.488071746,0.415863117,0.204124145,0.204124145,0,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,45,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,5,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,11.39236111,0,1.326388889,0,0,0,0.842592593,0,0,0,0,0,0.521990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.269097222,0,1.326388889,0,0,0,0.842592593,0,0,0,0,0,0.521990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.284722222,0,1.326388889,0,0,0,0.842592593,0,0,0,0,0,0.521990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.08333333,1.760416667,0.2,2.284722222,0,0.521990741,6.046809028,0.728009259,0.284722222,2.784722222,0.728009259,0.284722222,2.784722222,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.625,0.125,0.125,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.73928,1.21741,9.73928,0,0,3.41649,0.42706,3.41649,0,0,0.49751,0.06219,0.49751,0.06219,0,7,0,0,0,0,0,0,1,0.89049164,1.36704393,2.109737932,2.669901737,2.489115594,1.842894099,23.15278265,35.54314217,54.85318624,69.41744515,64.71700543,47.91524656,0.189448582,0.290833201,0.448838419,0.568011058,0.529549519,0.392068447,3.809948078,3.333395788,2.590701786,2.030537982,2.211324125,2.85754562,0.191756937,0.294376887,0.454307336,0.574932045,0.536001868,0.396845644,6.648700044,12.36732752,15.16830597,15.73285308,13.56341936,8.937675332,31.72521615,23.58736256,20.75788419,21.58789648,20.50317962,17.76444748,8,2.52,7.2,8,0,5,2.34,1.2358,3.298769777,2.5,2.58640929,3.221970075,0,1,1,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.131,0.009,0.004,3.126,10,5,6,0,0,0,0,0,0,36,2.079441542,2.397895273,1.791759469,1.945910149,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,7,1,0,2,4,1,4,0.666666667,0.75,0,0,0,0,0,0,0,0.571428571,0.066666667,0.15,0,0,0,0,0,0,0,0.788095238,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,0,146.9243357,4,3.555348061,4.17438727,5.056245805,5.686975356,6.577861358,7.211556733,8.105005538,8.739536423,9.633841843,73.74075839,2.708050201,0,4.007333185,0,5.416100402,0,6.882437471,0,8.379079889,8.635687085,114.1408506,4.390032714,14.27908074,1.784885093,0,0,0,66,5,4.807,34,1.2278,2.115728773,2.941571657,3.435863964,4.168456882,4.591747212,0,0,0,0,71.2221278,87.331823,66.2360442,49.51859867,42.38461035,4.665509039,0,0,0,0,272.5498825,351.7650236,389.2140277,271.2450924,417.3074773,142.7286968,0,0,0,0,8.919363223,15.034845,20.91004856,23.58942738,29.37862393,30.84948834,0,0,0,0,2.081648384,2.816384767,3.482229517,2.631808581,4.154236656,2.041550066,0,0,0,0,176.77647,329.6995075,454.4862559,597.024756,661.4573701,849.0951131,0,0,0,0,2.546391667,3.646097269,5.311626286,4.525357563,7.608102435,4.591747212,0,0,0,0,0.4321989,0.591022767,0.742723227,0.573088326,0.900145213,0.470194914,0,0,0,0,373.7077614,162.5423626,8.947225015,118.7815566,-51.66345693,-6.901876529,254.9262048,214.2058195,15.84910154,0.758813943,0.330042412,0.018167348,0.241186057,-0.104902695,-0.014014266,184.0470805,80.05037729,4.406412745,58.49864778,-25.44370067,-3.399100465,0.067974271,0.144036782,0.836073938,8.049388056,492.489318,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,801.7991682,28.31605849,9.290131623,1.404310375,1.404310375,410.0261221,373.1117009,161.6504711,1.098936649,2.536498158,2.308138655,4.005012793,3.22022378,6.424248771,0.99496967,5.020218393,6.683004489,3.186528603,26.75033514,4.692708239,14.65268939,10.09536312,12.72250273,5.546721246,8.179924101,2.32761958,1.126710559,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421311494,6.642958987,0.1725264,11.70491739,1.527764632,1.670896912,0.414037182,0.67966319,1.115878738,0.094794332,0.016394683,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.360045288,6.651078506,0.619466497,13.979447,1.765622122,3.525905859,1.423351546,2.329101507,1.654860668,0.695889075,0.170836853,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.738676201,6.680533608,2.942480948,25.54746859,4.354553874,13.57676117,9.160639552,11.69913552,5.146185028,7.313767434,2.073867876,1.003878823,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.00445695,6.65666852,0.976243274,15.7773557,2.050099432,5.035319258,2.40329219,3.701527375,2.133363791,1.420066592,0.371077844,0.17962281,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.062642867,6.692174986,4.157722022,31.52396775,6.10869562,18.95563992,13.94458422,16.8364309,7.176517963,11.80837168,3.394610919,1.64320146,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.089831421,5.141674799,1.242128226,18.98228424,2.343087082,8.193086423,3.640308071,5.528922222,3.318008076,2.795540533,0.751075597,0.363564459,2.59E-15,3.56E-51,9.43E-109,4.82E-188,4.75E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.400794242,1.424765966,1.037813733,0.580006371,0.242994218,0.523423263,0.584057321,0.464255295,5.863373941,9.853368547,20.74529862,0.370009557,1.57173588,2.722439864,0.871012702,0.546324625,0.657629563,0.210400865,0.335152069,0.217909949,0.128018615,4.139777191,4.334471328,9.769737012,0.486444344,0.681080632,3.00199774,1.099244856,0.748931772,0.618946354,0.226640276,0.407658717,0.347351679,0.241115369,4.850174369,6.371481461,13.69307868,0.42841953,0.996125764,3.384986923,1.411864347,1.026366062,0.581291532,0.242454345,0.518558464,0.573510195,0.454025145,5.823217333,9.702467702,20.43083455,0.371937298,1.546093803,3.1221914,1.197360968,0.836014827,0.605596103,0.232246215,0.441021943,0.412249757,0.300709038,5.155567194,7.349599941,15.6305167,0.408394154,1.153980737,3.4499796,1.464909442,1.073432357,0.576117975,0.244627725,0.538706255,0.617490156,0.496819176,5.9883214,10.32970862,21.74305807,0.364176963,1.653015587,3.39316235,1.415176613,1.028529824,0.581332642,0.242454759,0.521086913,0.57633231,0.456017766,5.836868787,9.747444029,20.52323486,0.371998962,1.553436989 +UMLMON0097,L,"2,2,4-trimethylpentane",CC(C)CC(C)(C)C,10907,strange that the blending ONs are listed as 100,"Sandia, UML",[1],C8H18,PubChem,,100,0,0.7455,0.55577025,27.075,17.07193,0,0,17,7,10,0,5,0,2,0,0,0,0,0,0,0,1243.417247,1130.35521,1383.841807,1325.040754,588.00605,148.333248,18.289152,0,0,2861.203507,3326.105375,4074.341527,4008.743386,2815.938428,1470.09063,559.5073998,0,0,131.590652,123.89952,216.519916,223.727536,246.085256,105.566976,120.932352,0,0,19.67703705,23.5201631,30.10520289,29.92597805,22.05501317,14.69637043,8.003032287,0,0,2854.050872,2371.638531,4597.229995,4670.223679,5308.101922,2392.223529,3328.517736,0,0,87.80555556,51.38888889,85.66666667,102.1666667,107,27,18,0,0,73.142191,70.64720063,49.42292168,45.69106048,19.60020167,9.8888832,1.016064,0,0,168.3060886,207.8815859,145.5121974,138.2325305,93.86461427,98.00604198,31.08374443,0,0,7.740626588,7.74372,7.732854143,7.714742621,8.202841867,7.0377984,6.718464,0,0,1.157472768,1.470010194,1.075185818,1.031930278,0.735167106,0.979758029,0.444612905,0,0,167.8853454,148.2274082,164.1867855,161.0421958,176.9367307,159.4815686,184.917652,0,0,5.16503268,3.211805556,3.05952381,3.522988506,3.566666667,1.8,1,0,0,0.264542299,-0.161241266,0.021148346,0.106715824,-0.117501333,-0.004211608,0.022818888,0,0,629.8202065,-12.09745997,168.9220628,-64.20906574,-572.3107065,-285.1831697,449.9682359,0,0,780.5766247,-146.4197851,185.9519761,-378.5905397,-56.95684458,-536.3430796,542.0699606,0,0,1.881607059,-0.015005232,0.597607903,-0.160408747,-2.004744457,0.120106007,0.521640997,0,0,3.424768994,-1.080059213,0.801235509,-2.668590195,1.787479987,-2.293065721,1.740615137,0,0,19.34959846,-6.628413839,4.57546903,-16.30100259,12.40769457,-12.18402931,8.455482906,0,0,36.61437908,-1.656670511,8.888408304,2.370242215,-36.92733564,-0.71366782,9.73183391,0,0,0.015561312,-0.010077579,7.55E-04,0.003679856,-0.003916711,-2.81E-04,0.001267716,0,0,37.04824744,-0.756091248,6.032930815,-2.214105715,-19.07702355,-19.01221131,24.99823533,0,0,45.91627204,-9.151236571,6.641142004,-13.0548462,-1.898561486,-35.75620531,30.11499781,0,0,0.110682768,-9.38E-04,0.021343139,-0.005531336,-0.066824815,0.008007067,0.028980055,0,0,0.201457,-0.067503701,0.028615554,-0.092020352,0.059582666,-0.152871048,0.096700841,0,0,1.138211674,-0.414275865,0.163409608,-0.562103538,0.413589819,-0.81226862,0.46974905,0,0,2.153787005,-0.103541907,0.317443154,0.08173249,-1.230911188,-0.047577855,0.540657439,0,0,-0.647604732,0.048536915,0.236474666,-0.251695434,-0.018043073,0.081465883,0,0,-0.020408287,0.162839843,-0.059762765,-0.514923778,-0.513174377,0.67474812,0,0,-0.199302691,0.144635915,-0.284318513,-0.041348337,-0.778726227,0.655867658,0,0,-0.008473107,0.192831637,-0.049974682,-0.603750849,0.072342491,0.261829875,0,0,-0.335077465,0.142042986,-0.456774159,0.295758729,-0.758827186,0.480007352,0,0,-0.363970845,0.143566976,-0.493847982,0.363368105,-0.713635819,0.412707988,0,0,-0.048074348,0.147388369,0.03794827,-0.571510175,-0.022090325,0.251026419,0,0,1.617504738,1.033784618,1.110946089,1.543663269,0.144778789,0.026385466,0,0,0.99899345,0.81456018,1.027100353,1.632302981,1.230228007,0,0,0,1.508256898,0.858481053,1.313281694,0.735257667,1.845834733,0,0,0,0.720275784,0.796568926,0.987233571,2.41106295,0.080666364,0,0,0,1.799320607,0.885941661,1.522381755,0.33480885,1.880744492,0,0,0,1.84360627,0.890698995,1.565380566,0.301448699,1.808215364,0,0,0,0.60313281,0.555987657,0.995986655,2.64255623,0.174794716,0,0,0,22.38977254,11.44488627,16.99983844,22.7469154,3.249559342,11.44492107,0.5,0.08744598,0.012492283,-1.705713831,22.14379885,3.163399835,2.168290247,22.39911033,11.44882074,17.00543989,22.75520401,3.25074343,11.44885539,0.498531158,0.087056295,0.012436614,-1.708840211,22.15827544,3.16546792,2.168747725,30.83565763,15.01883433,22.57513889,30.26566551,4.323666502,15.01883507,-0.797988956,0.191921446,0.027417349,-1.155468388,45.27681667,6.468116667,2.66895659,22.4089111,11.45295035,17.01132064,22.76390367,3.251986239,11.45298484,0.4969896,0.086647412,0.012378202,-1.712135692,22.17352609,3.167646584,2.169229341,39.97626287,18.90583717,29.25388465,38.43012821,5.490018316,18.90583718,-2.164588529,0.337622191,0.048231742,-0.760079451,22.64287145,3.234695921,2.183891553,23.37055661,11.85841249,17.59606585,23.61789116,3.373984452,11.85843446,0.346268372,0.047200453,0.006742922,-2.137346254,23.99454625,3.427792321,2.224478595,24.37048953,12.49107299,19.33752913,24.84130585,3.548757979,12.49108796,1.098571429,0.2656431,0.037949014,-0.927921121,18.07174633,2.581678048,2.02604482,0,11.99640053,15.99825848,-0.349399905,0.263788354,4.036119858,7.095128738,6,16,15,15,5,1,1,0,0,1,13.80607,3.558254358,2.941391517,2.491726046,2.333552793,1.190470968,1.072858919,0.083923071,0.083923071,1.799785596,1.428216237,1.249629723,0.84652386,0.264348958,0.083923071,0.083923071,0.083923071,3.472433173,2.85046942,2.405454588,2.39383797,1.211980661,0.634095789,0.270913902,0.270913902,1.780958673,1.405297616,1.134540686,0.923086165,0.211134644,0.270913902,0.270913902,0.270913902,3.639863612,3.137865756,2.704236987,2.697425731,1.6698388,1.255835685,0.943918427,0.943918427,1.580589349,1.061163973,0.76031856,0.582358791,0.316363373,0.943918427,0.943918427,0.943918427,3.464280132,2.838056669,2.457539916,2.379341251,1.261008177,0.465143439,0.399277246,0.399277246,1.779413136,1.388284017,1.058262671,0.942677157,0.139144578,0.399277246,0.399277246,0.399277246,3.661495587,3.196756147,2.838982085,2.744424992,1.835045658,1.209058028,1.207644823,1.207644823,1.54682937,0.996594548,0.631337262,0.536526663,0.474876785,1.207644823,1.207644823,1.207644823,4.660023908,3.275784747,3.158550919,2.587517045,1.896321128,1.421296726,0.555555556,0.555555556,1.662861677,1.100513747,0.920850378,0.477698649,0.217985533,0.555555556,0.555555556,0.555555556,0,0,1,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.336787657,0,0.048112522,0,1.276142375,0.707106781,0.23570226,0.380039828,0.214076175,0.048112522,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,4.89384685,2.259872254,1.677860277,0.672588984,0.23570226,0,0,0,0.699120979,0.376645376,0.239694325,0.112098164,0.11785113,0,0,0,9.138737228,17.10050983,16.3254902,16.6,9.953251497,131.4503174,0.537572778,1.005912343,0.960322953,0.976470588,0.585485382,7.73237161,0.8154,26.854,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,1,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66203704,-0.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.249305556,0.5125,0,0,0,0,0,0,0,0,0,0,4.986111111,0,0,0,0,0,0.00462963,0,0,-0.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.28935185,4.372685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.372685185,-0.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368402778,0.5125,0,0,0,0,0,0,0,0,0,0,1.391203704,0,0,0,0,0,0.00462963,0,0,-0.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.28935185,4.372685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.28935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,1.797453704,0,0,0,0,0,0.00462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.28935185,4.372685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.5,2.785714286,0.598958333,10.28935185,0.354166667,-0.152777778,2.177509259,1.819444444,3.289351852,8.324074074,1.819444444,3.289351852,8.324074074,3.16666,0.45238,0,0.04762,0.5549,0.91905,0.42174,0.5549,0.91905,0.13316,0,-0.13316,0,0.49223,0.22206,0,0.57895,0.31579,0,5.25,0.75,3.75,0.53571,1.5,0.21429,-2.25,-0.32143,0,0,4.69267,0.67038,7.55695,2.86428,0.40918,2.08147,0.29735,3.18073,1.09926,0.15704,0.23327,0.03332,0.23327,0.03332,0,6.02,2,2,2,2,0,0,0.8,1.332820405,2.015740432,2.777776811,2.777776811,2.537337821,1.816020849,22.65794688,34.26758735,47.22220579,47.22220579,43.13474295,30.87235443,0.326075235,0.49315199,0.679584603,0.679584603,0.620761073,0.444290485,2.754642437,2.071722409,1.30968603,1.30968603,1.55012502,2.271441992,0.326075235,0.49315199,0.679584603,0.679584603,0.620761073,0.444290485,12.49498498,21.16001527,21.92801461,21.92801461,19.04274672,8.465876578,25.89308809,17.03684232,17.28075429,17.28075429,15.83812035,10.54846255,7,3.06122449,2.666666667,7,3,3,1.79,0.8875,0.944940787,0,3.532775529,0,0,0,0,1,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.426,0.519,0.065,2.631,7,6,2,0,0,0,0,0,0,28,2.079441542,2.302585093,2.302585093,1.098612289,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,2,1.111111111,0.25,0,0,0,0,0,0,0,0.333333333,0.158730159,0.041666667,0,0,0,0,0,0,0,0.533730159,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,26.3,109.9803765,3.807354922,3.295836866,3.970291914,4.691347882,5.398162702,6.120297419,6.834108739,7.556427969,8.272059622,8.994296558,68.13282967,2.564949357,0,3.713572067,0,5.056245805,0,6.463029457,0,7.890956716,8.168486417,102.0680796,6.00400468,12.50524286,1.786463266,5.038666444,5.038666444,0,46,6,0.787,26,1.2270625,2.095207271,2.894583365,3.52321422,4.67163558,5.104922683,0,0,0,0,96.90864932,115.5857239,139.6551594,76.86326703,46.91829202,5.186928161,0,0,0,0,275.0821314,330.4755461,415.1579483,354.789718,463.2868309,158.680112,0,0,0,0,9.573754286,16.34256345,22.41155987,28.77948802,32.90397954,34.29723927,0,0,0,0,1.899056374,2.390336146,3.062705574,2.759717271,4.620560058,2.269714503,0,0,0,0,180.4501068,340.16152,464.0044852,618.0460379,742.9727534,943.9903162,0,0,0,0,4.044145833,6.81941559,10.39212298,12.29572422,8.473954581,5.104922683,0,0,0,0,0.445526719,0.579710394,0.776102706,0.741614593,1.001574578,0.522744083,0,0,0,0,382.2301823,264.2152305,19.14840806,122.9680724,-85.0012351,-18.86984426,259.2621099,349.2164656,38.01825232,0.756594424,0.522993158,0.03790276,0.243405576,-0.168253224,-0.037351365,193.102021,133.4810733,9.673742332,62.12325555,-42.94247562,-9.533012389,0.381581,0.461125919,10.40418024,5.738833731,423.0819806,82.11627414,0.837457328,0.162542672,523.9030215,22.88892792,8.061520593,620.7733823,24.91532425,8.530563018,878.785576,29.64431777,9.578429491,1.354972675,1.221238092,331.8338481,255.389518,108.6841645,1.299324462,3.053194083,2.349831911,3.592443368,3.222561645,6.153310547,0.909446963,2.802231592,3.344489696,5.546013194,6.070438004,3.872421177,5.012569276,2.780146484,3.611235616,1.628230194,0.681157651,0.622347122,1.04E-05,1.07E-31,2.23E-79,9.30E-149,7.67E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2516794,3.495518159,0.533473363,3.790889656,0.233664675,1.956257476,0.733100313,0.298277135,0.083965796,0.056963752,0.004383242,7.33E-08,7.57E-34,1.57E-81,6.55E-151,5.40E-242,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765034346,3.214431342,1.062071595,3.821389338,0.740721729,1.84222362,0.913410555,0.92352575,0.305631858,0.18401844,0.045676758,7.64E-07,7.88E-33,1.64E-80,6.82E-150,5.63E-241,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650193139,3.495060401,6.480776598,6.41850665,3.699385184,5.50943352,2.660457626,3.398724481,1.50059611,0.642818796,0.554500081,9.28E-06,9.57E-32,1.99E-79,8.28E-149,6.83E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.119938123,3.107624088,1.212684274,3.910943381,1.126027391,1.865448397,1.084984153,1.365765085,0.485575955,0.27134338,0.099216021,1.66E-06,1.71E-32,3.56E-80,1.48E-149,1.22E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.384123505,3.439933073,7.893154057,7.010656222,5.129801295,6.58896208,3.673776973,4.45160649,2.138379014,0.823252409,0.907634789,1.52E-05,1.57E-31,3.26E-79,1.36E-148,1.12E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.711826294,3.199791866,6.829006853,7.292906795,2.312251836,7.633304885,2.033611988,2.164920276,0.793340773,0.419660394,0.192082445,3.21E-06,3.32E-32,6.90E-80,2.87E-149,2.37E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.776472421,1.265404197,0.472003714,0.684902862,0.229494316,0.544789426,0.481034806,0.422936711,5.513880331,7.158548538,14.92802325,0.527354293,1.448760943,2.408093157,0.933992309,0.158537732,0.687904131,0.266807439,0.223799534,0.265761988,0.039747216,3.500623198,2.778987137,6.636183966,0.531856196,0.529308738,3.065476099,1.008012054,0.280936138,0.703991135,0.231491464,0.359765378,0.304102948,0.145542165,4.354424291,4.23442689,9.456954202,0.555986702,0.809410491,3.642927822,1.254337102,0.455287485,0.680596385,0.234343731,0.507287466,0.470551755,0.387222816,5.352552409,6.799122956,14.2320931,0.520894578,1.365062037,3.38320662,1.071118915,0.3401318,0.705649541,0.223407748,0.437472872,0.34564443,0.220243554,4.794457336,5.138874368,11.16590697,0.558474312,1.003360856,3.838160005,1.299618591,0.494656433,0.681438842,0.230738319,0.562706836,0.506974841,0.463864285,5.632435029,7.529579333,15.62943193,0.522158263,1.533545962,3.665903494,1.272241663,0.458577793,0.679283248,0.235743371,0.514226493,0.485122147,0.393570712,5.396722949,6.928438862,14.46392973,0.518924872,1.392919352 +UMLMON0098,L,"2-Methyl propanoic acid, methyl ester",CC(C)C(=O)OC,11039,Opting for Sandia/UML values,"Sandia, UML",[9],C5H10O2,UML,"smiles code is result of 2-methyl propanoic acid reacting with methanol (esterification) to produce 'methyl ester', specifically methyl 2-methylpropanoate",104.7,0,1.1075,1.22655625,27.3795,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,894.311257,941.764873,706.703975,533.76297,133.168896,6.096384,0,0,2644.81273,3111.440287,3640.513361,3306.634392,2364.901695,1094.55995,186.5024666,0,0,118.238936,113.725804,184.461484,182.459684,205.857144,151.68384,40.310784,0,0,19.03383305,23.05160678,28.92575372,28.16061288,22.04147389,10.77105139,2.667677429,0,0,2668.599586,2223.807959,4009.660895,3934.870237,4949.717114,3636.36258,1109.505912,0,0,63.02777778,45,64.16666667,59.33333333,58.66666667,52,6,0,0,61.71557788,59.62075047,37.67059492,28.268159,18.40561966,6.6584448,1.016064,0,0,165.3007956,207.4293525,145.6205345,132.2653757,81.54833431,54.72799748,31.08374443,0,0,7.3899335,7.581720267,7.37845936,7.29838736,7.098522207,7.584192,6.718464,0,0,1.189614566,1.536773785,1.157030149,1.126424515,0.760050824,0.53855257,0.444612905,0,0,166.7874742,148.2538639,160.3864358,157.3948095,170.6799005,181.818129,184.917652,0,0,3.939236111,3,2.566666667,2.373333333,2.022988506,2.6,1,0,0,0.230435513,-0.10216257,-0.021173421,-0.010320333,0.046937089,-0.063203029,0.034704507,0,0,523.7576238,-61.37440864,-31.81109361,-304.6363672,128.0334735,-106.9538542,114.8634383,0,0,766.4429154,-64.08388028,6.681852741,-553.3628414,-45.62552823,107.17841,165.9905295,0,0,1.03666,-0.10552625,-0.13128875,-0.09238775,0.23486625,-0.502655,0.0786615,0,0,3.391946473,-0.184652645,0.16238178,-2.452906795,-1.008634642,1.165918109,0.621920956,0,0,18.82152525,-0.868064488,1.05603693,-13.30318059,-6.804589582,7.316501624,3.192533483,0,0,23.44270833,-4.399414063,-1.125759549,-4.648328993,8.25141059,-11.76866319,1.969401042,0,0,0.01440222,-0.006810838,-8.47E-04,-4.13E-04,0.00161852,-0.003160151,0.005784084,0,0,32.73485148,-4.091627243,-1.272443744,-12.18545469,4.41494736,-5.347692709,19.14390639,0,0,47.90268221,-4.272258686,0.26727411,-22.13451365,-1.573294077,5.358920498,27.66508825,0,0,0.06479125,-0.007035083,-0.00525155,-0.00369551,0.008098836,-0.02513275,0.01311025,0,0,0.211996655,-0.012310176,0.006495271,-0.098116272,-0.034780505,0.058295905,0.103653493,0,0,1.176345328,-0.057870966,0.042241477,-0.532127224,-0.23464102,0.365825081,0.532088914,0,0,1.465169271,-0.293294271,-0.045030382,-0.18593316,0.2845314,-0.58843316,0.328233507,0,0,-0.472901968,-0.058805995,-0.028663174,0.112379923,-0.21942114,0.401610628,0,0,-0.124992999,-0.038871224,-0.372247135,0.134869937,-0.163363891,0.584817267,0,0,-0.08918621,0.005579523,-0.462072532,-0.032843549,0.11187099,0.577526914,0,0,-0.108580763,-0.081053383,-0.057037177,0.124998919,-0.387903459,0.202345996,0,0,-0.058067786,0.030638555,-0.462819906,-0.164061574,0.274985026,0.488939285,0,0,-0.049195559,0.035909079,-0.452356303,-0.199466104,0.31098443,0.452323736,0,0,-0.200177738,-0.030733911,-0.12690217,0.194196947,-0.401614456,0.224024291,0,0,1.368619598,0.879370361,0.754638362,0.45379245,1.947293137,1.085774028,0,0,1.269889206,1.029344676,1.316690931,0.673285099,1.138775193,0,0,0,1.398696897,1.048119053,1.544170564,0.858859731,0.465268695,0,0,0,1.044581637,0.966863195,0.681654544,0.476448235,2.465066656,0,0,0,1.448950267,1.049012986,1.581474052,0.958979059,0.234658866,0,0,0,1.454759456,1.047138199,1.569961263,0.979079053,0.217891453,0,0,0,1.137524994,0.91677405,0.769962231,0.418604295,2.431459676,0,0,0,18.13904993,9.194524963,13.86012745,18.30571659,3.050952765,9.194798085,0.25,0.068620858,0.01143681,-1.607495243,29.01191641,4.835319402,2.020623994,18.14221649,9.195741034,13.86224782,18.30839354,3.051398923,9.196013776,0.249265579,0.068787392,0.011464565,-1.60604088,28.96846899,4.828078165,2.019724777,20.96535597,10.28318075,15.9612078,20.69935965,3.449893276,10.28326459,-0.398994478,0.206386721,0.034397787,-0.94680215,19.19888616,3.19981436,1.772911359,18.14553991,9.197017354,13.86447382,18.31120311,3.051867184,9.197289698,0.2484948,0.068962171,0.011493695,-1.604518303,28.92316859,4.820528098,2.018785773,23.98354189,11.45062381,18.56721484,23.26201238,3.877002063,11.45064909,-1.082294264,0.30919697,0.051532828,-0.704266057,20.70041445,3.450069075,1.818092233,18.47093035,9.322032269,14.08530327,18.58635314,3.097725524,9.322268586,0.173134186,0.086033278,0.01433888,-1.471812661,25.58171594,4.263619323,1.945126725,17.29678496,8.959503591,13.54783678,17.71159977,2.951933296,8.959883804,0.622222222,0.00508294,8.47E-04,-3.169119306,54.76551477,9.127585794,2.401836422,0,11.99640057,15.99794223,-0.416929661,0.087317326,4.033414643,7.174379394,5,15,14,14,4,1,1,0,0,1,10.93207,3.522880391,2.844341681,2.333552793,1.95151914,1.247291712,0.354612376,0.083923071,0.083923071,1.831403533,1.360895552,1.249629723,0.677036555,0.383588404,0.083923071,0.083923071,0.083923071,3.527388523,2.780631295,2.405454588,1.873566256,1.194928977,0.480287045,0.270913902,0.270913902,1.7898806,1.329216892,1.134540686,0.627371947,0.311877944,0.270913902,0.270913902,0.270913902,3.630623175,3.051220498,2.704236987,2.25027394,1.748476388,0.959218208,0.943918427,0.943918427,1.634924815,1.002794455,0.76031856,0.190992373,0.295235925,0.943918427,0.943918427,0.943918427,3.538405639,2.787334706,2.457539916,1.884082124,1.209463766,0.569008004,0.399277246,0.399277246,1.76494431,1.308987807,1.058262671,0.596914339,0.240099279,0.399277246,0.399277246,0.399277246,3.672691025,3.116895434,2.838982085,2.343670368,1.910978431,1.207644823,1.207644823,1.207644823,1.594869763,0.929583964,0.631337262,0.087020375,0.456433747,1.150770461,1.207644823,1.207644823,4.040424125,3.457399298,2.571572866,2.477390284,1.635554917,0.647030055,0.545454545,0.545454545,1.697253969,1.107463059,0.935209229,0.323941551,0.234496264,0.545454545,0.545454545,0.545454545,0,0,0,1,1,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.288675135,0,0,0,0.288675135,0.288675135,0,0.204124145,0.091287093,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.231670646,2.013151191,1.4640486,0.499535383,0.182574186,0,0,0,0.705278441,0.402630238,0.29280972,0.166511794,0.091287093,0,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,0.87109,26.2468,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,1,0,1,2,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,3,0,1,0,0,0,0,0,0,0,0,2,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.739791667,0,8.160277778,2.928240741,0,0,0,0,0,0,0,0,0,0.739791667,0,0,0,0,0,0,0,0,0,0,0.415277778,0,0,0,1.200833333,0,0.415277778,0,0,0,0,0,0,0,0,3.909166667,0,0.168981481,0,1.763888889,0,0,0,0,1.164351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.160277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.739791667,0,8.160277778,1.164351852,0,0,0,0,0,0,0,0,0,0.739791667,0,0,0,0,0,0,0,0,0,0,0.415277778,0,0,0,0.330277778,0,0.415277778,0,0,0,0,0,0,0,0,1.954583333,0,0.168981481,0,1.763888889,0,0,0,0,1.164351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.160277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.739791667,0,8.160277778,1.763888889,0,0,0,0,0,0,0,0,0,0.739791667,0,0,0,0,0,0,0,0,0,0,0.415277778,0,0,0,0.540277778,0,0.415277778,0,0,0,0,0,0,0,0,1.954583333,0,0.168981481,0,1.763888889,0,0,0,0,1.164351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.160277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.16666667,2.527777778,0.739791667,8.160277778,0.144097222,0.168981481,2.099924352,1.331018519,2.160277778,4.320555556,1.331018519,2.160277778,4.320555556,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.42,0.47593,0.75238,0.07792,0.02199,-0.05593,0.0754,0.57047,0.14382,0,0.47059,0.17647,0,3.75,0.625,2.75,0.45833,1,0.16667,-1.75,-0.29167,0,0,4.01833,0.66972,5.69868,1.68035,0.28006,1.8559,0.30932,2.77005,0.91415,0.15236,0.14395,0.02399,0.14395,0.02399,0,5.01,1,1,1,1,1,1,0.6,1.198192411,2.375,2.780639062,2.780639062,2.530639062,1.780639062,19.17107858,38,44.490225,44.490225,40.490225,28.490225,0.299548103,0.59375,0.695159766,0.695159766,0.632659766,0.445159766,2.801807589,1.625,1.219360938,1.219360938,1.469360938,2.219360938,0.299548103,0.59375,0.695159766,0.695159766,0.632659766,0.445159766,10.71860945,18.50655369,18.91536689,18.91536689,15.91536689,9.66341063,21.96987352,15.5,15.43383437,15.43383437,13.93383437,10.68383437,6,3.2,5.333333333,6,2,4,1.9,0.8288,0.5,1.632993162,2,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.387,0.525,0.349,3.036,5,3,2,0,0,0,0,0,0,21,1.945910149,2.197224577,1.945910149,1.609437912,0,0,0,0,0,0,3.433987204,1.428571429,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,20.23,101.1901498,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,86.07316494,5.379572809,10.67917749,1.779862916,2.371664406,2.371664406,0,32,3,0.702,20,1.205726492,2.095697408,2.993448644,3.64854879,4.376425352,5.174454562,0,0,0,0,83.43197,90.82960219,94.57105109,80.42354878,32.41463873,5.257577,0,0,0,0,274.4670625,335.7065417,416.1441112,319.601219,252.5041078,160.8414232,0,0,0,0,9.174694684,15.55074601,21.91056577,26.13924361,33.71965075,34.76438669,0,0,0,0,1.980235469,2.60259895,3.477075335,2.864370354,2.401936745,2.300629274,0,0,0,0,176.4466208,331.3410398,468.2655549,619.1252548,794.419691,956.8479881,0,0,0,0,3.745538319,5.671644287,7.321038563,8.137566463,12.34938028,5.174454562,0,0,0,0,0.43560519,0.581525847,0.77865914,0.69073747,0.667636878,0.529864147,0,0,0,0,244.1520147,150.8926099,13.24180635,87.96583785,-54.36528907,-17.05164555,156.1861768,205.257899,30.2934519,0.735136678,0.454334534,0.039870806,0.264863322,-0.163692763,-0.051342153,81.0872428,50.11412956,4.39784029,29.21502516,-18.05568306,-5.6631559,0.34006375,0.633724548,8.192445398,23.10112721,271.5739952,60.54385732,0.817703695,0.182296305,366.4181325,19.14205142,7.155813047,473.6433667,21.76334916,7.795018552,549.5323901,23.4421072,8.190890092,1.11306973,1.00064378,331.5214108,272.7662123,69.73389576,1.215404973,4.754092787,3.911529814,3.67262872,3.388655912,5.861398861,0.72971202,4.647708209,3.603957389,3.519073614,8.872005385,4.695111204,4.221743475,2.565742436,2.491566357,4.57963923,0.953531234,0.15088621,1.95E-18,4.98E-57,2.46E-117,2.35E-199,4.31E-303,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.415675113,3.764372081,0.338353645,4.30831195,1.198809635,0.290439974,0.412281017,0.346146793,0.480086193,0.006798866,0.001526705,1.37E-20,3.51E-59,1.73E-119,1.65E-201,3.04E-305,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.188089879,3.456980128,0.815314361,4.745295327,1.727316577,0.804210216,0.590180602,0.357257369,0.801999763,0.070079165,0.011606901,1.43E-19,3.66E-58,1.81E-118,1.72E-200,3.17E-304,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.674039895,3.768254368,3.84052697,8.884517196,4.415565681,3.910993505,2.628070969,2.331603409,5.117188688,0.849868668,0.136054024,1.73E-18,4.44E-57,2.19E-117,2.09E-199,3.84E-303,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.664911771,3.340479047,1.047565064,5.110937323,2.145098677,1.244267592,0.717301854,0.497919697,0.945886725,0.152039797,0.024197829,3.10E-19,7.94E-58,3.93E-118,3.74E-200,6.88E-304,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.845279363,3.710718199,4.683518737,10.68333688,5.804517829,5.565300664,3.575526887,3.549372247,6.557758556,1.390637358,0.220062671,2.84E-18,7.27E-57,3.59E-117,3.42E-199,6.29E-303,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.738611029,4.312224514,3.882547064,8.248451809,2.665991476,2.107987051,2.200114821,1.553686925,5.775531339,0.284874983,0.051481578,5.79E-19,1.48E-57,7.33E-118,6.98E-200,1.28E-303,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.315465053,1.516456811,0.328933792,0.642425457,0.293838253,0.577746574,0.604584528,0.421741817,5.160855656,6.617141946,13.43179762,0.463638185,1.604072919,3.266561453,0.752301359,0.065640723,0.799745042,0.184184284,0.564723891,0.147827217,0.016277999,4.084503536,2.721239684,6.967051269,0.699617563,0.728829107,2.904180283,1.086809141,0.173127947,0.697429977,0.260993878,0.444176715,0.311372561,0.117277909,4.164117371,3.847241483,8.557800806,0.546144966,0.872827185,3.423633869,1.471533352,0.31642459,0.656926711,0.282357753,0.615204444,0.571138907,0.391784122,5.211591811,6.586942703,13.39267888,0.485390067,1.578127472,2.846424811,1.236836017,0.224013898,0.660841249,0.287150483,0.427505943,0.399736356,0.196769738,4.307274726,4.435267899,9.531197155,0.491261874,1.024012037,3.408695935,1.564471086,0.347205069,0.640687508,0.294052946,0.610294082,0.644142513,0.469360681,5.32037209,7.059515031,14.23146448,0.461031262,1.723797277,3.405409413,1.47706086,0.317108349,0.654939498,0.284073185,0.608725041,0.575330782,0.393352171,5.199578621,6.578269041,13.37290169,0.482409247,1.577407994 +UMLMON0099,L,3-methyl-2-buten-1-ol,CC(=CCO)C,11173,Co optima database valuese measured by NREL,Sandia,,C5H10O,PubChem,,74,0,2.2637,5.12433769,29.274,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,1177.401631,822.251307,218.184624,18.289152,0,0,0,2914.106344,3494.423905,4767.031769,5004.289918,2840.064045,559.5073998,0,0,0,125.864664,123.114164,212.497468,263.8227,348.629184,120.932352,0,0,0,22.06875486,27.30703172,38.44450508,44.88934373,32.70922922,8.003032287,0,0,0,2979.777961,2471.442353,4727.330133,5650.139899,8953.873689,3328.517736,0,0,0,38.5625,42,57.25,82.5,75,18,0,0,0,48.76541633,50.97680359,39.24672103,22.2230083,4.278129882,1.016064,0,0,0,161.8947969,205.5543474,158.901059,135.2510789,55.6875303,31.08374443,0,0,0,6.992481333,7.242009647,7.083248933,7.130343243,6.835866353,6.718464,0,0,0,1.226041937,1.606295984,1.281483503,1.213225506,0.641357436,0.444612905,0,0,0,165.54322,145.3789619,157.5776711,152.7064838,175.5661508,184.917652,0,0,0,2.142361111,2.470588235,1.908333333,2.22972973,1.470588235,1,0,0,0,0.041805491,-0.014031132,0.01376157,-0.030988727,-0.012418079,0.022773623,0,0,0,484.264036,-53.80711511,161.4213453,-672.5889389,80.71067267,242.132018,0,0,0,900.5096538,-100.0566282,300.1698846,-1250.707852,150.0849423,450.2548269,0,0,0,0.094864,-0.010540444,0.031621333,-0.131755556,0.015810667,0.047432,0,0,0,4.025697139,-0.447299682,1.341899046,-5.591246027,0.670949523,2.01284857,0,0,0,21.86765075,-2.429738973,7.289216918,-30.37173716,3.644608459,10.93382538,0,0,0,5.892361111,-2.589313272,2.912037037,-3.254436728,-2.184606481,2.170138889,0,0,0,0.002322527,-8.25E-04,4.59E-04,-8.38E-04,-2.43E-04,0.001265201,0,0,0,26.90355756,-3.165124418,5.380711511,-18.17807943,1.582562209,13.45177878,0,0,0,50.0283141,-5.885684011,10.00566282,-33.80291493,2.942842006,25.01415705,0,0,0,0.005270222,-6.20E-04,0.001054044,-0.003560961,3.10E-04,0.002635111,0,0,0,0.223649841,-0.026311746,0.044729968,-0.151114757,0.013155873,0.111824921,0,0,0,1.214869486,-0.142925822,0.242973897,-0.820857761,0.071462911,0.607434743,0,0,0,0.327353395,-0.152312545,0.097067901,-0.087957749,-0.042835421,0.120563272,0,0,0,-0.355371819,0.197508552,-0.360612847,-0.104839133,0.544751972,0,0,0,-0.117647059,0.2,-0.675675676,0.058823529,0.5,0,0,0,-0.117647059,0.2,-0.675675676,0.058823529,0.5,0,0,0,-0.117647059,0.2,-0.675675676,0.058823529,0.5,0,0,0,-0.117647059,0.2,-0.675675676,0.058823529,0.5,0,0,0,-0.117647059,0.2,-0.675675676,0.058823529,0.5,0,0,0,-0.465284759,0.296523276,-0.268693561,-0.130853756,0.368296995,0,0,0,1.620066961,0.653424154,1.538731167,0.897225731,0.175809531,0,0,0,1.5,0.920833333,1.837837838,0.625,0,0,0,0,1.5,0.920833333,1.837837838,0.625,0,0,0,0,1.5,0.920833333,1.837837838,0.625,0,0,0,0,1.5,0.920833333,1.837837838,0.625,0,0,0,0,1.5,0.920833333,1.837837838,0.625,0,0,0,0,1.803182086,0.465822039,1.291468251,1.187978786,0,0,0,0,17.50479896,8.75239948,12.38729701,17.50479896,2.917466493,8.752787923,-8.88E-15,0.031650066,0.005275011,-2.071809035,19.90374672,3.31729112,1.794544795,17.50479896,8.75239948,12.38729701,17.50479896,2.917466493,8.752787923,-8.88E-15,0.031650066,0.005275011,-2.071809035,19.90374672,3.31729112,1.794544795,17.50479896,8.75239948,12.38729701,17.50479896,2.917466493,8.752787923,-8.88E-15,0.031650066,0.005275011,-2.071809035,19.90374672,3.31729112,1.794544795,17.50479896,8.75239948,12.38729701,17.50479896,2.917466493,8.752787923,-8.88E-15,0.031650066,0.005275011,-2.071809035,19.90374672,3.31729112,1.794544795,17.50479896,8.75239948,12.38729701,17.50479896,2.917466493,8.752787923,-8.88E-15,0.031650066,0.005275011,-2.071809035,19.90374672,3.31729112,1.794544795,17.50479896,8.75239948,12.38729701,17.50479896,2.917466493,8.752787923,-8.88E-15,0.031650066,0.005275011,-2.071809035,19.90374672,3.31729112,1.794544795,27.90831543,13.75554661,19.36557169,27.64350062,4.607250103,13.75554882,-0.397222222,0.097385288,0.016230881,-1.397448076,21.54508427,3.590847378,1.842088609,0,11.79,12.21003864,-0.304077287,0.116294059,5.445299596,8.439502485,5,17,16,16,4,1,1,0,0,1,13.118484,3.559595674,2.810292559,2.333552793,2.333552793,1.229078407,0.405152309,0.083923071,0.083923071,1.901745452,1.399051877,1.249629723,1.249629723,0.451552408,0.083923071,0.083923071,0.083923071,3.580871496,2.850375932,2.405454588,2.405454588,1.327202193,0.521938912,0.270913902,0.270913902,1.848223016,1.315586623,1.134540686,1.134540686,0.303837187,0.270913902,0.270913902,0.270913902,3.677524158,3.027651915,2.704236987,2.704236987,1.734420258,0.962615914,0.943918427,0.943918427,1.697428799,1.062968109,0.76031856,0.76031856,0.189939944,0.943918427,0.943918427,0.943918427,3.596710865,2.880008542,2.457539916,2.457539916,1.398418513,0.603988134,0.399277246,0.399277246,1.814714325,1.261729295,1.058262671,1.058262671,0.204850698,0.399277246,0.399277246,0.399277246,3.726436429,3.113625125,2.838982085,2.838982085,1.91549993,1.207644823,1.207644823,1.207644823,1.652553019,0.98273017,0.631337262,0.631337262,0.364410565,1.138245609,1.207644823,1.207644823,3.574635334,3.026751418,2.483972303,2.483972303,1.48022226,0.530922458,0.489795918,0.489795918,1.880062258,1.100553661,1.014584548,1.014584548,0.121711469,0.489795918,0.489795918,0.489795918,0,0,1,1,0,3,0,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.366025404,0.288675135,0,0,1.060660172,0.353553391,0,0.612372436,0.204124145,0,5.207106781,2.560660172,2.914213562,1.060660172,0,0,0,0,0.86785113,0.512132034,0.416316223,0.353553391,0,0,0,0,4.78445705,2.196923425,2.570149549,0.612372436,0,0,0,0,0.797409508,0.439384685,0.367164221,0.204124145,0,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,24,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,3,0,0,2,0,0,0,0,0,0,0,0,3,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.569444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375347222,0.304166667,0,0,0.730208333,0,0,0.679513889,0,0,0,0,0,0,0,0,6.375,3.631944444,0,0,1.9375,0,0,0,0,0,0,0,0.305555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.9375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375347222,0.304166667,0,0,0.243402778,0,0,0.304166667,0,0,0,0,0,0,0,0,2.125,3.631944444,0,0,1.9375,0,0,0,0,0,0,0,0.305555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.631944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375347222,0.304166667,0,0,0.243402778,0,0,0.375347222,0,0,0,0,0,0,0,0,2.125,3.631944444,0,0,1.9375,0,0,0,0,0,0,0,0.305555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.25,2.041666667,0.375347222,3.631944444,0.090277778,0.305555556,4.526319444,0.944444444,0.631944444,2.013888889,0.944444444,0.631944444,2.013888889,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.66667,0,0.16667,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,5.01036,0.83506,6.37132,1.36096,0.22683,2.03867,0.33978,2.56066,0.52199,0.087,0.35334,0.05889,0.35334,0.05889,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.056641667,2.209690973,2.209690973,1.746365973,0.852213889,16.52932501,37.01955001,39.77443751,39.77443751,31.43458751,15.33985,0.220218789,0.493208311,0.529911443,0.529911443,0.418800331,0.204371515,3.251629167,2.113283334,1.960234029,1.960234029,2.423559029,3.317711112,0.220218789,0.493208311,0.529911443,0.529911443,0.418800331,0.204371515,6.73287657,14.44788584,14.60213276,14.60213276,9.042232759,0.85888249,23.69925001,17.71729375,17.36090278,17.36090278,14.58095278,5.204427778,6,1.632653061,5.333333333,6,2,4,2.12,0.911,2.449489743,2.37841423,0,3.363585661,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.159,0.147,0.088,0.146,2.249,7,3,0,0,0,0,0,0,0,21,1.945910149,2.197224577,1.945910149,0,0,0,0,0,0,0,3.295836866,1.238095238,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,3,0.5,3,0.666666667,0,0,0,0,0,0,0,0,0.6,0.095238095,0,0,0,0,0,0,0,0,0.695238095,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,0,109.6959078,3.584962501,3.218875825,3.80666249,4.634728988,5.252273428,6.084499413,6.708084084,7.5416831,8.166500319,9.000483165,65.41379081,2.397895273,0,3.663561646,0,5.081404365,0,6.532334292,0,7.989899375,8.256088134,84.09390038,4.671883355,10.46599026,1.74433171,0,0,0,28,3,3.166,24,1.219,2.121740888,2.976050395,3.459685345,4.07405775,0,0,0,0,0,72.30904117,95.24692031,69.16051878,15.4841909,4.139503414,0,0,0,0,0,274.3286679,370.6140945,410.285089,197.8143536,126.6369699,0,0,0,0,0,8.860546952,15.10169822,21.23438463,23.67453541,27.37141033,0,0,0,0,0,2.086978642,2.920995711,3.655414286,2.26010113,1.811378651,0,0,0,0,0,175.1912326,329.1418037,453.4979336,605.4450588,753.3651933,0,0,0,0,0,3.060529412,4.295449187,6.73112311,5.17692134,4.07405775,0,0,0,0,0,0.432999265,0.6112891,0.778667145,0.502763447,0.417183514,0,0,0,0,0,335.9896691,126.874683,10.67879275,105.8876095,-39.98473203,-6.701505292,230.1020596,166.859415,17.38029804,0.760368739,0.287126515,0.024166875,0.239631261,-0.090488319,-0.015165988,148.4662006,56.06303964,4.718715879,46.7893287,-17.66834457,-2.961242921,0.151369829,0.270458775,4.282873031,4.984260349,441.8772786,0,1,0,331.0578085,18.19499405,6.917799096,447.9391783,21.16457366,7.651378443,537.7963945,23.19043756,8.132160886,1.261634404,1.046346666,184.3227132,181.6081837,110.7545456,1.014947176,1.664245131,1.639735712,3.400819811,3.202420028,5.261876621,0.64309384,3.591793317,3.914899098,3.80939856,14.20215815,5.409798528,4.950629215,7.378137317,3.651959499,0.876159451,0.006350349,3.46E-24,3.76E-67,8.06E-132,3.41E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.301445031,3.914692083,0.165630573,6.998403852,2.05385036,0.254348843,0.33346884,0.11706845,0.006170864,4.47E-05,2.44E-26,2.65E-69,5.68E-134,2.40E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.973075264,3.914706317,0.636194058,8.148183727,2.342381706,0.920233596,1.263423184,0.502722304,0.06430515,4.66E-04,2.54E-25,2.76E-68,5.92E-133,2.50E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390360553,3.914876511,3.489678022,13.6477106,5.064085033,4.559569466,6.767149703,3.316728267,0.780642298,0.005658047,3.09E-24,3.35E-67,7.18E-132,3.04E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.434128364,3.914724408,1.040342024,9.032682145,2.658175287,1.46425907,2.052647167,0.867195101,0.139679376,0.001012387,5.52E-25,5.99E-68,1.29E-132,5.44E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.337608177,3.914993983,5.102920519,16.38382917,6.849080084,6.516128451,9.844405801,5.028089834,1.277796212,0.009261388,5.05E-24,5.48E-67,1.18E-131,4.98E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.896350131,2.406801239,1.27391149,9.556537797,3.807983562,2.127455247,3.040034627,1.315610492,0.210190693,0.001523449,8.31E-25,9.01E-68,1.93E-132,8.19E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.092492322,1.247639703,1.10663235,0.470565145,0.280572479,0.411198356,0.447884561,0.416315303,4.446764374,6.306974649,13.64279809,0.205847717,1.27539822,1.529798601,0.678356489,0.64229622,0.536686452,0.237982135,0.218891299,0.132806647,0.14024299,2.85045131,2.456038475,5.973031922,0.305029679,0.491940936,1.75143592,0.906302779,0.826716346,0.502642708,0.260098858,0.286712692,0.237244378,0.232340366,3.484455045,3.784527267,8.581254996,0.253964062,0.756297436,2.078374949,1.233732444,1.095136768,0.471581531,0.279932856,0.405533514,0.438076903,0.407710801,4.40724416,6.191369189,13.40671772,0.207372297,1.251321218,1.851010025,1.007127044,0.908919536,0.491367723,0.267351184,0.320453635,0.292823756,0.280843079,3.767056604,4.462018872,9.923485324,0.237051584,0.894120471,2.136751205,1.291118479,1.142621928,0.467510147,0.282490066,0.42925659,0.479196195,0.443834687,4.570491612,6.675558033,14.39831384,0.20126522,1.352287472,2.091935876,1.231624594,1.093033113,0.473653696,0.278863013,0.410665732,0.436737589,0.406145589,4.416593583,6.20924132,13.4420125,0.210480545,1.253548909 +UMLMON0100,L,"3,3-Dimethyl-1-Butene",CC(C)(C)C=C,11210,,"Sandia, UML",[1],C6H12,PubChem,,93.3,0,1.794,3.218436,38.243,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1725.25417,1819.067553,932.493074,215.393472,18.289152,0,0,3947.642614,5029.877407,7256.714489,9003.594936,7765.04691,3521.617762,559.5073998,0,0,181.25648,180.900988,339.488488,447.426756,626.264264,548.9856,120.932352,0,0,30.31423229,39.56609758,59.5007813,77.20431588,78.15030588,44.04082215,8.003032287,0,0,4342.872585,3643.766351,7595.322043,9791.308033,14936.58687,14596.78856,3328.517736,0,0,43.59027778,51.20833333,76.58333333,113.0833333,141,93,18,0,0,45.09238923,49.11105724,35.94279521,28.87408814,10.36103416,2.659178667,1.016064,0,0,151.8324082,201.1950963,151.1815518,142.9142053,86.278299,43.4767625,31.08374443,0,0,6.971403077,7.23603952,7.072676833,7.102012,6.958491822,6.7776,6.718464,0,0,1.165932011,1.582643903,1.23959961,1.225465331,0.868336732,0.543713854,0.444612905,0,0,167.033561,145.7506541,158.2358759,155.4175878,165.9620764,180.2072662,184.917652,0,0,1.676549145,2.048333333,1.595486111,1.794973545,1.566666667,1.148148148,1,0,0,0.034866384,-0.010133835,0.011691591,-0.011210056,-0.038740398,0.021336381,0.009623126,0,0,670.5194345,-58.02572029,196.2845353,-423.372848,-737.8579247,481.3985683,206.3136721,0,0,1246.859521,-107.9013047,364.999475,-787.2798896,-1372.078319,895.1811943,383.6490833,0,0,0.131350154,-0.01136684,0.038450793,-0.082935834,-0.144541302,0.094302675,0.040415432,0,0,5.574042193,-0.482369036,1.63171748,-3.51950741,-6.133828482,4.001876446,1.715089906,0,0,30.27828566,-2.620236259,8.863515246,-19.11802011,-33.31905366,21.73825637,9.316395587,0,0,4.000267094,-2.449776052,1.59566075,0.779801529,-4.537783531,1.626571746,0.985392012,0,0,0.001341015,-4.05E-04,2.44E-04,-1.78E-04,-4.30E-04,2.63E-04,5.35E-04,0,0,25.78920902,-2.321028812,4.089261152,-6.720203937,-8.198421385,5.943192202,11.46187067,0,0,47.95613541,-4.316052187,7.60415573,-12.49650618,-15.24531465,11.05161968,21.31383796,0,0,0.005051929,-4.55E-04,8.01E-04,-0.001316442,-0.001606014,0.001164231,0.002245302,0,0,0.214386238,-0.019294761,0.033994114,-0.055865197,-0.06815365,0.049405882,0.095282773,0,0,1.164549448,-0.10480945,0.184656568,-0.303460637,-0.370211707,0.268373535,0.517577533,0,0,0.153856427,-0.097991042,0.033242932,0.012377802,-0.050419817,0.020081133,0.054744001,0,0,-0.302273636,0.181634695,-0.132688618,-0.32098742,0.196427447,0.398666838,0,0,-0.09,0.158564815,-0.260582011,-0.317901235,0.230452675,0.444444444,0,0,-0.09,0.158564815,-0.260582011,-0.317901235,0.230452675,0.444444444,0,0,-0.09,0.158564815,-0.260582011,-0.317901235,0.230452675,0.444444444,0,0,-0.09,0.158564815,-0.260582011,-0.317901235,0.230452675,0.444444444,0,0,-0.09,0.158564815,-0.260582011,-0.317901235,0.230452675,0.444444444,0,0,-0.636899246,0.216064632,0.080450341,-0.327706928,0.130518647,0.355812245,0,0,1.839613515,0.813451866,1.335392317,1.371650036,0.399818906,2.34E-05,0,0,1.625,1.03443287,1.50462963,1.253858025,0.33436214,0,0,0,1.625,1.03443287,1.50462963,1.253858025,0.33436214,0,0,0,1.625,1.03443287,1.50462963,1.253858025,0.33436214,0,0,0,1.625,1.03443287,1.50462963,1.253858025,0.33436214,0,0,0,1.625,1.03443287,1.50462963,1.253858025,0.33436214,0,0,0,2.242905789,0.591323362,1.098430292,1.487169215,0.462932051,0,0,0,32.1365591,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,-3.55E-15,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,32.1365591,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,-3.55E-15,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,32.1365591,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,-3.55E-15,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,32.1365591,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,-3.55E-15,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,32.1365591,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,-3.55E-15,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,32.1365591,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,-3.55E-15,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,45.86205434,22.77937786,33.01612541,45.63458038,5.704322548,22.77937787,-0.303298611,0.00513957,6.42E-04,-4.216628627,32.5909734,4.073871675,2.787228288,0,11.89,12.11011416,-0.162354296,0.058720949,5.755742675,9.528253252,7,25,25,25,7,0,0,0,0,0,19.677726,3.622049278,3.017844806,2.716158568,2.333552793,2.333552793,1.741838948,1.305878985,0.391568215,1.964591417,1.618912912,1.450314259,1.249629723,1.249629723,0.835507992,0.506396866,0.083923071,3.643752304,3.060024786,2.770106129,2.405454588,2.405454588,1.830292954,1.405414736,0.510463099,1.911819164,1.535284781,1.352549382,1.134540686,1.134540686,0.70251216,0.363319011,0.270913902,3.741623954,3.24368199,3.000843817,2.704236987,2.704236987,2.193881938,1.809666382,0.961632677,1.761636631,1.279808803,1.045387453,0.76031856,0.76031856,0.261222531,0.116316794,0.943918427,3.659872133,3.091035019,2.809552763,2.457539916,2.457539916,1.894186476,1.477033546,0.594204588,1.878649112,1.481159244,1.288577317,1.058262671,1.058262671,0.613685355,0.26742727,0.399277246,3.790718189,3.331417547,3.108532056,2.838982085,2.838982085,2.355147861,1.986515781,1.207644823,1.716449518,1.197532556,0.943532502,0.631337262,0.631337262,0.10588789,0.287439435,1.141855713,3.608395979,3.147943432,2.91771574,2.607254599,2.607254599,1.965042481,1.512906426,0.613075668,1.917197079,1.408442197,1.166882854,0.903112587,0.903112587,0.511894579,0.192615678,0.568047337,0,0,0,0,0,5,1,1,1,0,0,0,0,0,0,0,0,0,0,1.33915195,0.204124145,0.696923425,0.204124145,1.33915195,0.204124145,0.696923425,0.204124145,2.937122946,1.632993162,0.40824829,2.937122946,1.632993162,0.40824829,6.78445705,3.504035845,3.496835125,2.474179755,0.40824829,0,0,0,0.848057131,0.500576549,0.349683512,0.274908862,0.204124145,0,0,0,6.78445705,3.504035845,3.496835125,2.474179755,0.40824829,0,0,0,0.848057131,0.500576549,0.349683512,0.274908862,0.204124145,0,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,41,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,5,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,11.44675926,0,1.282407407,0,0,0,0.8125,0,0,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.25,0,1.282407407,0,0,0,0.8125,0,0,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.31712963,0,1.282407407,0,0,0,0.8125,0,0,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.08333333,1.760416667,0.2,2.31712963,0,0.541666667,6.041141204,0.708333333,0.31712963,2.893518519,0.708333333,0.31712963,2.893518519,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.625,0.125,0.125,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.90646,1.23831,9.90646,0,0,3.50403,0.438,3.50403,0,0,0.40997,0.05125,0.40997,0.05125,0,7,0,0,0,0,0,0,1,0.89049164,1.36704393,2.215695144,3.093730583,2.91294444,2.266722945,23.15278265,35.54314217,57.60807374,80.43699516,75.73655544,58.93479657,0.189448582,0.290833201,0.471380398,0.658178972,0.619717434,0.482236361,3.809948078,3.333395788,2.484744574,1.606709135,1.787495278,2.433716773,0.191756937,0.294376887,0.477123979,0.66619862,0.627268443,0.488112218,6.648700044,12.36732752,16.43979251,17.32469861,15.15526489,7.400606951,31.72521615,23.58736256,18.78778503,18.85721203,17.77249518,12.18727095,8,2.52,2.222222222,8,0,5,2.34,1.2358,3.412787518,2.44179671,3.041821709,3.298769777,0,0.5,1,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.131,0.009,0.004,3.126,10,9,2,0,0,0,0,0,0,36,2.079441542,2.397895273,2.302585093,1.098612289,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,7,1,0,2,4,1,3.5,1.777777778,0.25,0,0,0,0,0,0,0,0.5,0.177777778,0.027777778,0,0,0,0,0,0,0,0.705555556,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,0,146.9243357,4,3.555348061,4.290459441,5.105945474,5.883322388,6.693323668,7.479299638,8.287780027,9.075779879,9.883743923,75.2550025,2.708050201,0,4.007333185,0,5.517452896,0,7.089243155,0,8.678461339,8.908829792,114.1408506,4.390032714,14.27167969,1.783959961,0,0,0,62,9,4.807,34,1.2278,2.115728773,2.94006452,3.495078547,3.960158296,5.352201744,0,0,0,0,71.2221278,87.331823,90.76614616,40.07092916,12.24973369,5.438179512,0,0,0,0,272.5498825,351.7650236,436.7934354,313.1323918,185.1399746,166.3664711,0,0,0,0,8.919363223,15.034845,20.91738018,24.34899754,26.90223475,35.95857474,0,0,0,0,2.081648384,2.816384767,3.703871043,3.107316383,2.256868643,2.379657965,0,0,0,0,176.77647,329.6995075,454.2860946,577.9659107,708.7214705,989.7165796,0,0,0,0,2.556545,3.529969946,5.379087259,5.544585645,4.701835477,5.352201744,0,0,0,0,0.4321989,0.591022767,0.783880527,0.675142421,0.50757499,0.548065459,0,0,0,0,361.8060994,156.7206893,8.626990043,122.9327786,-53.24982033,-7.258668605,238.8733209,209.9705096,15.88565865,0.746393813,0.32330951,0.01779719,0.253606187,-0.109852588,-0.014974389,175.3814827,75.96861108,4.181837474,59.59029715,-25.81225816,-3.518558875,0.069405412,0.149558028,1.037923558,7.506623699,484.738878,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,811.9535639,28.49479889,9.329185547,1.356712851,1.205835205,385.4692723,331.8864454,174.2415472,1.161449278,2.212269567,1.904749187,3.936296879,3.220218461,6.42424645,0.994972244,5.020209962,6.639714264,3.020041699,38.63538881,6.684528745,10.00785152,12.99570358,15.46305349,7.191345344,5.573905442,0.884220332,1.126710553,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327169,0.1713391,11.35274616,3.018364978,0.274203139,0.932381415,0.741530714,1.029052181,0.076364869,0.006228704,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639353744,0.607209483,15.32927936,3.285757868,1.257832565,2.816475944,2.720019041,1.522733019,0.504429204,0.064899514,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639672015,2.794133979,36.40181394,6.289944898,9.057060053,12.05261696,14.19867485,6.543754522,4.991800042,0.787825132,1.003878818,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.639387557,0.949655624,18.5318719,3.612118506,2.230938845,4.281553066,4.382974884,2.088528686,1.004374875,0.140967789,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.639891756,3.914964529,47.54495401,8.338680779,13.93117177,16.71981258,20.55679393,9.896033041,8.007983207,1.289548769,1.643201451,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.089828701,5.164751003,1.235249383,23.11181868,4.914117434,4.081148205,6.794334343,6.894160715,3.435649929,1.954321182,0.285322735,0.363564457,2.59E-15,3.56E-51,9.43E-109,4.82E-188,4.75E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.083265924,1.573102219,1.001985188,0.544905159,0.278014137,0.48053678,0.487599696,0.427589901,5.65835333,9.515904373,20.03417891,0.317357739,1.395726377,2.379156062,0.998022869,0.530265101,0.608877835,0.255415781,0.28582138,0.195520592,0.120825583,3.907444032,4.165252286,9.331785432,0.413316752,0.602167555,2.669323671,1.234971003,0.724803669,0.576640087,0.266784352,0.359942564,0.299817435,0.224854755,4.629098342,6.126384433,13.14482513,0.36496013,0.884614754,3.066858087,1.559697598,0.991004705,0.545941276,0.277646788,0.47542385,0.479280106,0.418346245,5.61756039,9.368309642,19.72621339,0.318911914,1.3730502,2.794081019,1.336868654,0.808380826,0.56568011,0.270657866,0.394448141,0.351573329,0.279260645,4.9393305,7.074699841,15.03359087,0.348520165,1.025282115,3.134319901,1.61481226,1.036148576,0.541774901,0.27912427,0.496621833,0.513950449,0.456987284,5.785280737,9.982144731,21.01172384,0.312662352,1.467559566,3.07439857,1.56374209,0.992437808,0.546018244,0.277723168,0.477846765,0.481975712,0.419390873,5.630578468,9.410632594,19.81242177,0.319027367,1.37921335 +UMLMON0101,L,"2,3,3-Trimethylpentane",CCC(C)(C)C(C)C,11215,,"Sandia, UML","[1], [9]",C8H18,PubChem,,99.4,0,2.375,5.640625,38.4044,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1674.79369,1752.435729,872.888018,192.10968,15.24096,0,0,3885.475125,4800.404174,6735.600534,8243.409388,6964.179256,3064.959957,466.2561665,0,0,167.819552,166.665724,297.581032,371.527812,523.890632,467.964864,100.77696,0,0,29.42500648,37.33900896,54.15737825,68.9689169,68.80538669,38.03653589,6.669193573,0,0,3973.037281,3337.521256,6612.996548,7916.189382,12290.00251,12409.57184,2773.76478,0,0,47.59027778,53.29166667,74.75,110.1666667,133.5,83,15,0,0,48.76541633,52.3287937,39.87604024,33.7006871,11.63850691,2.784198261,1.016064,0,0,161.8947969,208.713225,160.3714413,158.5271036,92.85572342,44.41970952,31.08374443,0,0,6.992481333,7.246335826,7.085262667,7.144765615,6.985208427,6.782099478,6.718464,0,0,1.226041937,1.623435172,1.289461387,1.326325325,0.917405156,0.551254143,0.444612905,0,0,165.54322,145.1096198,157.4522988,152.2344112,163.8667002,179.8488673,184.917652,0,0,1.982928241,2.317028986,1.779761905,2.118589744,1.78,1.202898551,1,0,0,0.044534898,-0.012179694,0.014776509,-0.013515574,-0.049483126,0.025075441,0.013058995,0,0,645.6853813,-53.80711511,242.132018,-430.4569209,-766.7513903,484.264036,201.7766817,0,0,1200.679538,-100.0566282,450.2548269,-800.4530256,-1425.806952,900.5096538,375.2123557,0,0,0.126485333,-0.010540444,0.047432,-0.084323556,-0.150201333,0.094864,0.039526667,0,0,5.367596186,-0.447299682,2.01284857,-3.578397457,-6.374020471,4.025697139,1.677373808,0,0,29.15686767,-2.429738973,10.93382538,-19.43791178,-34.62378036,21.86765075,9.111521147,0,0,6.464988426,-2.855625482,2.617115162,0.29923804,-6.988679109,2.262984664,1.432472512,0,0,0.001855621,-5.30E-04,3.52E-04,-2.60E-04,-6.60E-04,3.63E-04,8.71E-04,0,0,26.90355756,-2.339439787,5.765048048,-8.278017709,-10.22335187,7.018319362,13.45177878,0,0,50.0283141,-4.350288182,10.72035302,-15.39332741,-19.01075936,13.05086455,25.01415705,0,0,0.005270222,-4.58E-04,0.001129333,-0.001621607,-0.002002684,0.001374841,0.002635111,0,0,0.223649841,-0.019447812,0.047924966,-0.068815336,-0.08498694,0.058343437,0.111824921,0,0,1.214869486,-0.105640825,0.260329176,-0.373805996,-0.461650405,0.316922475,0.607434743,0,0,0.269374518,-0.12415763,0.062312266,0.005754578,-0.093182388,0.032796879,0.095498167,0,0,-0.28537722,0.189597818,-0.140068972,-0.355554881,0.195844001,0.469168953,0,0,-0.086956522,0.214285714,-0.307692308,-0.38,0.260869565,0.5,0,0,-0.086956522,0.214285714,-0.307692308,-0.38,0.260869565,0.5,0,0,-0.086956522,0.214285714,-0.307692308,-0.38,0.260869565,0.5,0,0,-0.086956522,0.214285714,-0.307692308,-0.38,0.260869565,0.5,0,0,-0.086956522,0.214285714,-0.307692308,-0.38,0.260869565,0.5,0,0,-0.460910819,0.23132205,0.02136274,-0.345921318,0.121751974,0.354518194,0,0,1.615495975,0.752439869,1.325485718,1.394606186,0.467223826,0.098796855,0,0,1.5,0.924107143,1.534254808,1.3225,0.34375,0,0,0,1.5,0.924107143,1.534254808,1.3225,0.34375,0,0,0,1.5,0.924107143,1.534254808,1.3225,0.34375,0,0,0,1.5,0.924107143,1.534254808,1.3225,0.34375,0,0,0,1.5,0.924107143,1.534254808,1.3225,0.34375,0,0,0,1.856151815,0.483232204,1.168770808,1.555472407,0.515597726,0,0,0,30.32933295,15.16466648,21.27905626,30.32933295,3.791166619,15.16466725,-1.95E-14,0.095880957,0.01198512,-1.87571831,54.6898028,6.83622535,3.201341817,30.32933295,15.16466648,21.27905626,30.32933295,3.791166619,15.16466725,-1.95E-14,0.095880957,0.01198512,-1.87571831,54.6898028,6.83622535,3.201341817,30.32933295,15.16466648,21.27905626,30.32933295,3.791166619,15.16466725,-1.95E-14,0.095880957,0.01198512,-1.87571831,54.6898028,6.83622535,3.201341817,30.32933295,15.16466648,21.27905626,30.32933295,3.791166619,15.16466725,-1.95E-14,0.095880957,0.01198512,-1.87571831,54.6898028,6.83622535,3.201341817,30.32933295,15.16466648,21.27905626,30.32933295,3.791166619,15.16466725,-1.95E-14,0.095880957,0.01198512,-1.87571831,54.6898028,6.83622535,3.201341817,30.32933295,15.16466648,21.27905626,30.32933295,3.791166619,15.16466725,-1.95E-14,0.095880957,0.01198512,-1.87571831,54.6898028,6.83622535,3.201341817,47.05147813,23.28615573,33.8090102,46.69210313,5.836512891,23.28615573,-0.479166667,0.160499932,0.020062492,-1.463569407,124.7979124,15.59973905,3.861356583,0,11.89,12.11011416,-0.169851788,0.052379707,5.800930724,9.709003039,7,23,22,22,6,1,1,0,0,1,17.491312,3.645890372,3.040077456,2.715907337,2.333552793,2.225611078,1.727395753,0.934953528,0.083923071,1.946196959,1.585881726,1.442678078,1.249629723,1.113330782,0.829074135,0.046941509,0.083923071,3.663852035,3.076401434,2.769122508,2.405454588,2.294554824,1.816619538,1.026966315,0.270913902,1.897662984,1.506650492,1.345612098,1.134540686,1.001144093,0.695337729,0.153460251,0.270913902,3.746648659,3.238239553,2.997091621,2.704236987,2.582868395,2.183230991,1.391000114,0.943918427,1.763946484,1.270762782,1.041166676,0.76031856,0.637231996,0.251088939,0.544709677,0.943918427,3.677285267,3.103308984,2.808054168,2.457539916,2.344619846,1.881064997,1.092733933,0.399277246,1.8675531,1.455866064,1.282137378,1.058262671,0.926845423,0.605977503,0.227698502,0.399277246,3.789305397,3.317599837,3.103681468,2.838982085,2.713579917,2.345708109,1.543068513,1.207644823,1.725067164,1.197016819,0.940413783,0.631337262,0.512299954,0.094537668,0.694616262,1.207644823,3.659820782,3.17422618,2.847719536,2.534061497,2.529754755,1.891306762,1.076165197,0.518918919,1.931807051,1.391654029,1.218016018,0.972997998,0.730298594,0.558993282,0.204225777,0.518918919,0,0,1,0,1,4,1,0,1,0,0,0,0,0,0,0,0,0,0,1.33915195,0.204124145,0.696923425,0.204124145,1.133883476,0.176776695,0.426776695,0.125,2.937122946,1.632993162,0.40824829,2.215990258,1.207106781,0.25,6.78445705,3.504035845,3.496835125,2.474179755,0.40824829,0,0,0,0.848057131,0.500576549,0.349683512,0.274908862,0.204124145,0,0,0,6.414213562,3.164213562,3.017766953,2.039213562,0.301776695,0,0,0,0.801776695,0.452030509,0.301776695,0.226579285,0.150888348,0,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,41,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,4,1,0,1,0,0,0,0,0,0,0,0,4,1,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.175416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337569444,0,0,0,0.955833333,0.290277778,0,0.337569444,0,0,0,0,0,0,0,0,8.711157407,3.897638889,1.18287037,0,0,0,0,0,0,1.277777778,0,0,0.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.277777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337569444,0,0,0,0.225625,0.290277778,0,0.337569444,0,0,0,0,0,0,0,0,2.086805556,3.897638889,1.18287037,0,0,0,0,0,0,1.277777778,0,0,0.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.897638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337569444,0,0,0,0.243402778,0.290277778,0,0.337569444,0,0,0,0,0,0,0,0,2.217592593,3.897638889,1.18287037,0,0,0,0,0,0,1.277777778,0,0,0.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.41666667,1.927083333,0.337569444,3.897638889,0.026041667,0.347222222,5.477715463,0.902777778,0.897638889,3.217592593,0.902777778,0.897638889,3.217592593,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.625,0.125,0.125,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,8.36855,1.04607,9.90646,1.53791,0.19224,2.98968,0.37371,3.50403,0.51435,0.06429,0.40997,0.05125,0.40997,0.05125,0,7,0,0,0,0,0,0,0.75,0.918295834,2.082551817,2.948120313,3.29248125,3.101441146,2.420614063,22.03910002,49.98124361,70.7548875,79.01955001,74.43458751,58.09473751,0.200284263,0.45421349,0.642997693,0.718104292,0.676437625,0.527946316,3.666666667,2.502410684,1.636842188,1.29248125,1.483521355,2.164348438,0.200284263,0.45421349,0.642997693,0.718104292,0.676437625,0.527946316,6.73287657,16.72064472,18.85474488,19.20180045,16.9093192,8.739394199,31.59900002,19.42915877,17.55814531,16.90739375,15.76115313,9.883709376,8,2.52,2.222222222,8,2,5,2.34,1.1928,3.412787518,2.44179671,3.041821709,3.298769777,0,0.5,1,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.155,0.135,0.064,0.154,3.224,10,9,2,0,0,0,0,0,0,36,2.197224577,2.564949357,2.564949357,1.386294361,0,0,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,2,4,1,3.5,1.777777778,0.25,0,0,0,0,0,0,0,0.5,0.177777778,0.027777778,0,0,0,0,0,0,0,0.705555556,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,0,144.287877,4,3.555348061,4.290459441,5.105945474,5.883322388,6.693323668,7.479299638,8.287780027,9.075779879,9.883743923,75.2550025,2.708050201,0,4.007333185,0,5.517452896,0,7.089243155,0,8.678461339,8.908829792,112.1252005,4.671883355,14.27167969,1.783959961,0,0,0,62,9,3.797,34,1.226391304,2.122900714,2.986940732,3.557287548,4.014366793,5.488026661,0,0,0,0,74.73814722,97.10565861,107.1570335,45.63114632,13.04998903,5.576186321,0,0,0,0,280.6431588,375.1157751,490.7501334,342.4052007,192.4453889,170.5884182,0,0,0,0,8.920641989,15.11622491,21.37477234,24.87583854,27.2932516,36.87110955,0,0,0,0,2.124868553,2.946208097,4.062875384,3.337299696,2.32591414,2.440047476,0,0,0,0,175.8569114,328.9219057,452.3638573,580.94681,716.6093511,1014.833004,0,0,0,0,2.89088587,3.986875028,6.469793595,6.432028904,5.027815032,5.488026661,0,0,0,0,0.4404825,0.616181095,0.855965561,0.722676917,0.522370913,0.56197393,0,0,0,0,348.9531894,158.8521896,9.705028282,133.9083579,-60.95842224,-8.483925925,215.0448315,219.8106118,18.18895421,0.722677528,0.328980824,0.020098988,0.277322472,-0.126244102,-0.017570101,168.496077,76.70361406,4.686184973,64.6591969,-29.43447808,-4.0965616,0.117411716,0.217912793,2.779204782,4.961617959,482.8615473,0,1,0,457.3961477,21.38682182,7.704849633,612.8133496,24.75506715,8.493944243,832.2610619,28.84893519,9.406322372,1.310033407,1.307020727,381.1547756,327.4634165,168.4330712,1.163961397,2.262944996,1.944175299,3.932935908,3.477616438,6.454645435,0.856054442,4.625737202,5.862564001,5.322425394,23.60146056,4.574061019,12.1642818,16.33505772,9.716878806,6.08715318,1.660041817,0.11409806,1.628283808,2.42E-13,6.96E-48,3.86E-104,4.12E-182,8.49E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0.388216777,5.862268085,0.211286176,10.00384991,2.944448323,2.568149857,1.004465443,0.430300725,0.965888836,0.023785442,8.35E-04,0.011468136,1.71E-15,4.90E-50,2.72E-106,2.90E-184,5.98E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,1.253185036,5.862288441,0.83716146,12.07653784,3.075245802,4.04123587,3.215753356,1.641452381,1.430483802,0.152908554,0.008454788,0.119506819,1.78E-14,5.11E-49,2.83E-105,3.02E-183,6.23E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,4.366319238,5.862531718,4.861856736,22.52037094,4.402892562,11.40499276,15.07176733,8.906230043,5.568177887,1.487394554,0.101680928,1.450771558,2.16E-13,6.20E-48,3.44E-104,3.67E-182,7.57E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,1.84695863,5.862314305,1.390745027,13.70807106,3.224965005,5.196674384,5.00631019,2.676093511,1.921854614,0.30237817,0.018287696,0.25958478,3.87E-14,1.11E-48,6.15E-105,6.57E-183,1.35E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,5.586245157,5.862699617,7.195370179,27.88657637,5.288895487,15.17067686,21.38119689,12.99326799,8.241964001,2.381568909,0.166298926,2.374698905,3.54E-13,1.02E-47,5.63E-104,6.01E-182,1.24E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,2.610296131,4.0739198,1.75552103,14.44297763,3.625608274,7.763409235,7.345646388,3.726809192,2.591791539,0.489369501,0.030833896,0.438459126,6.53E-14,1.87E-48,1.04E-104,1.11E-182,2.29E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,3.222750447,1.57201969,0.968489718,0.559188815,0.272765714,0.467620538,0.444066256,0.404056709,5.763259854,9.709912734,20.3797615,0.338783222,1.315743502,2.418661936,0.997774255,0.511587963,0.615745179,0.254014287,0.267585352,0.190442795,0.112743821,3.928024154,4.161086243,9.323714685,0.423617769,0.570771968,2.736652427,1.227213222,0.693054555,0.587652849,0.26352464,0.339868257,0.280641802,0.206912652,4.656920204,6.105631187,13.09014465,0.381479274,0.827422711,3.202716834,1.557929633,0.957178122,0.560128557,0.272468945,0.461938568,0.43675302,0.394673364,5.717824589,9.546394107,20.0401618,0.340192835,1.293364952,2.879011048,1.328866463,0.773941664,0.577903562,0.266743215,0.375106414,0.325414265,0.2580291,4.981819175,7.082472951,15.02525457,0.366855344,0.958549779,3.2855056,1.616096636,1.003903303,0.556346206,0.273659321,0.485652887,0.467287315,0.434146264,5.905505539,10.23042922,21.46635465,0.334519309,1.387086466,3.207133426,1.566052614,0.956960371,0.559694848,0.273300628,0.463689719,0.443794757,0.3944938,5.730146411,9.590289568,20.12680742,0.339542272,1.301978275 +UMLMON0102,L,"2,3,3-Trimethyl-1-Pentene",CCC(C)(C)C(=C)C,11216,,"Sandia, UML",[1],C8H16,PubChem,,85.7,0,1.528,2.334784,34.3257,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1410.479624,1313.632662,593.499481,121.4136,9.144576,0,0,3461.958223,4376.887272,6118.039963,7044.624533,5474.660402,2180.439431,279.7536999,0,0,160.279036,159.125208,296.735264,382.099416,498.123172,365.192064,60.466176,0,0,26.63610648,34.55010896,50.80666687,62.15635002,57.10008402,28.02268529,4.001516144,0,0,3846.242925,3210.7269,6665.652931,8492.189678,12174.9141,9794.782583,1664.258868,0,0,38.0625,44.75,66.75,93.5,106,60,9,0,0,44.61329874,48.14991518,33.58284819,24.32653078,8.243048347,2.2484,1.016064,0,0,150.5199227,198.9494215,145.6676182,130.4560099,76.03695003,40.37850798,31.08374443,0,0,6.968653739,7.232964,7.065125333,7.075915111,6.918377389,6.762816,6.718464,0,0,1.158091586,1.570459498,1.209682544,1.151043519,0.793056722,0.518938617,0.444612905,0,0,167.2279533,145.9421318,158.7060222,157.2627718,169.0960292,181.3848627,184.917652,0,0,1.654891304,2.034090909,1.589285714,1.731481481,1.472222222,1.111111111,1,0,0,0.031306772,-0.008413449,0.008081882,-0.016402808,-0.021579506,0.017901895,0.004758601,0,0,589.5388264,-58.58770946,113.0559706,-436.6615221,-397.9844795,384.4818433,100.9264839,0,0,1096.272622,-108.9463475,210.232405,-811.9907464,-740.0691342,714.9604056,187.6771065,0,0,0.115486609,-0.01147693,0.022146888,-0.085538994,-0.077962427,0.075317353,0.019770805,0,0,4.900848691,-0.487040864,0.939836667,-3.629976438,-3.308453367,3.196205668,0.839003988,0,0,26.62148787,-2.645613702,5.10520769,-19.71808962,-17.9715712,17.36183992,4.557482978,0,0,3.364130435,-1.89721172,1.144848771,-0.061436673,-2.781190926,1.44399811,0.468927221,0,0,0.001361164,-3.82E-04,1.92E-04,-3.04E-04,-3.00E-04,3.32E-04,5.29E-04,0,0,25.63212289,-2.663077703,2.691808824,-8.086324483,-5.527562215,7.120034136,11.21405376,0,0,47.66402704,-4.952106706,5.005533452,-15.03686567,-10.27873797,13.24000751,20.85301183,0,0,0.005021157,-5.22E-04,5.27E-04,-0.001584055,-0.001082811,0.001394766,0.002196756,0,0,0.213080378,-0.022138221,0.022377063,-0.067221786,-0.045950741,0.059188994,0.093222665,0,0,1.157455995,-0.120255168,0.121552564,-0.365149808,-0.249605156,0.321515554,0.506386998,0,0,0.146266541,-0.086236896,0.027258304,-0.001137716,-0.038627652,0.026740706,0.052103025,0,0,-0.280957707,0.141368531,-0.223158782,-0.220190485,0.243553729,0.388442115,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.589587311,0.186360489,-0.007778376,-0.264090827,0.182821756,0.356219709,0,0,1.820571573,0.87386498,1.385409186,1.182266495,0.302033566,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,2.192245557,0.642280175,1.142912703,1.339705618,0.363309998,0,0,0,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,35.39635054,17.5815086,25.27166631,35.22968387,5.032811982,17.58150865,-0.233333333,1.22E-15,1.74E-16,-24.03723371,4000004.07,571429.1528,10.64126416,0,11.89,12.11009426,-0.167985522,0.052561797,5.591467234,8.899502724,6,22,22,22,6,0,0,0,0,0,17.491312,3.574978343,2.902564078,2.685171409,2.333552793,1.799662052,1.598026915,0.443021474,0.083923071,1.942186947,1.563026335,1.43543247,1.249629723,0.873444649,0.769718516,0.083923071,0.083923071,3.598605629,2.950308951,2.74069663,2.405454588,1.886405282,1.695309721,0.55220905,0.270913902,1.886429748,1.473453684,1.336134217,1.134540686,0.74261092,0.630337185,0.270913902,0.270913902,3.704581195,3.155598408,2.977445718,2.704236987,2.243010376,2.090117344,0.964952634,0.943918427,1.726127666,1.195492746,1.023013433,0.76031856,0.309093543,0.162386152,0.943918427,0.943918427,3.616126269,2.985267979,2.781255866,2.457539916,1.949059228,1.765276817,0.628971729,0.399277246,1.85123465,1.415133181,1.271070023,1.058262671,0.655276683,0.536857124,0.399277246,0.399277246,3.757360594,3.252217518,3.087536905,2.838982085,2.401293357,2.26277616,1.207644823,1.207644823,1.677416459,1.104407163,0.918752736,0.631337262,0.156681707,0.004703131,1.129594515,1.207644823,3.577637728,3.061422362,2.899211901,2.612600818,2.030943263,1.838196629,0.625239344,0.571428571,1.875379131,1.325313653,1.140967173,0.898315104,0.545257359,0.431448195,0.571428571,0.571428571,0,0,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,0,0,1.207106781,0.25,0,0,1.207106781,0.25,0,0,1.707106781,1,0,1.707106781,1,0,5.914213562,3.121320344,2.871320344,1.914213562,0.25,0,0,0,0.844887652,0.520220057,0.358915043,0.319035594,0.25,0,0,0,5.914213562,3.121320344,2.871320344,1.914213562,0.25,0,0,0,0.844887652,0.520220057,0.358915043,0.319035594,0.25,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,34,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,9.076388889,0,2.590277778,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.239583333,0,1.295138889,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.298611111,0,1.295138889,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.25,1.75,0.2,2.298611111,0,0.583333333,5.312430556,0.666666667,0.298611111,2.152777778,0.666666667,0.298611111,2.152777778,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.57143,0,0.14286,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.84027,1.12004,7.84027,0,0,3.12132,0.4459,3.12132,0,0,0.29268,0.04181,0.29268,0.04181,0,6,0,0,0,0,0,0,1,0.886540893,1.306170652,2.044451086,2.566190217,2.36951361,1.756720226,20.39044053,30.04192499,47.02237498,59.02237498,54.49881302,40.4045652,0.195982923,0.288748262,0.451956026,0.567294146,0.523815885,0.388348882,3.637021063,3.217391304,2.47911087,1.95737174,2.154048346,2.76684173,0.19880132,0.292900702,0.45845553,0.575452308,0.531348793,0.393933662,6.634953582,11.67051069,14.32625079,14.85207255,12.49195327,5.138432664,27.76507516,21.21742031,19.84231067,20.03452107,18.85446143,11.50094083,7,2.34375,2.666666667,7,0,5,2.23,1.0949,2.039648903,4.298279727,0,2.828427125,0.5,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,2.855,8,6,1,0,0,0,0,0,0,28,1.945910149,2.197224577,1.945910149,0.693147181,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,3,1.111111111,0.125,0,0,0,0,0,0,0,0.5,0.138888889,0.020833333,0,0,0,0,0,0,0,0.659722222,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,0,129.6283511,3.807354922,3.36729583,4.043051268,4.844187086,5.549076085,6.354370041,7.063903961,7.870547845,8.580918882,9.387900612,70.06125161,2.564949357,0,3.80666249,0,5.262690189,0,6.767343125,0,8.282230063,8.532278829,100.1252005,4.353269587,12.44270382,1.777529117,0,0,0,44,6,4.299,28,1.224818182,2.110039005,2.924159227,3.474757511,3.952964644,5.71185753,0,0,0,0,69.72220731,81.39693149,76.11385697,31.90081193,10.61486373,5.803612809,0,0,0,0,268.787596,337.4239973,396.2765835,274.4580573,172.6406646,177.5459197,0,0,0,0,8.893455721,14.97568724,20.72699372,24.06670898,26.79532824,38.37490919,0,0,0,0,2.059771149,2.735845826,3.457950507,2.821098814,2.155507404,2.539565568,0,0,0,0,176.6115071,329.9879212,457.2457905,585.5682262,712.0570339,1056.223283,0,0,0,0,2.538829545,3.501396601,5.152654435,5.169126467,4.547896064,5.71185753,0,0,0,0,0.427911136,0.575376064,0.73538305,0.616797951,0.486646143,0.584894211,0,0,0,0,351.2538824,135.6087776,8.422640101,123.6246489,-47.72783548,-7.249936546,227.6292335,183.336613,15.67257665,0.739671009,0.285565189,0.01773641,0.260328991,-0.100505355,-0.015266928,166.8029278,64.39769712,3.999730961,58.7066917,-22.66492441,-3.442839219,0.06936215,0.167822642,1.367179659,8.42336208,474.8785313,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,651.8861034,25.53206031,8.670761509,1.600376192,1.20582466,301.9411244,301.0866254,117.3617398,1.00283805,2.572738994,2.565458095,3.7171057,3.220194404,6.42424645,0.994987148,4.462408855,5.691187203,2.528752837,30.60273147,5.933777466,9.998374675,9.367718843,8.391585578,4.005473465,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851897,0.149881511,8.932443656,2.023351974,0.331592865,0.652671376,0.333439406,0.957409077,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690874933,0.524912857,11.8618731,2.301177387,1.404778953,1.996587945,1.320719156,1.162491535,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691150612,2.344012169,28.7475861,5.510292301,9.088187436,8.680297607,7.665648812,3.67131965,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690904229,0.815183813,14.31641578,2.64640617,2.408719208,3.048308136,2.193698832,1.4271176,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691340921,3.257168424,38.07157851,7.710774744,13.72990057,12.08766339,11.34352843,5.410230557,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.732087054,4.568276431,1.078605138,18.19740676,3.907136712,4.373030767,4.932270683,3.322899843,2.227401361,1.559038414,0.053081045,0.367905486,2.62E-15,3.60E-51,9.54E-109,4.88E-188,4.81E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.143134216,1.083373056,1.042643022,0.596516334,0.205606786,0.457022849,0.472182242,0.451937121,5.269150294,7.811925237,16.63146991,0.394774501,1.381142212,2.425158869,0.590249567,0.584676146,0.673639414,0.163954361,0.272077387,0.140160268,0.142114195,3.600084582,3.194486356,7.631505007,0.510459121,0.55435185,2.722543607,0.794500869,0.774365612,0.634417022,0.185137485,0.342895472,0.253946564,0.24928655,4.291410088,4.88654156,10.85295345,0.451625533,0.846128586,3.12654359,1.071978198,1.032060545,0.597742926,0.204944331,0.452210911,0.462301704,0.442809658,5.230582334,7.684715251,16.37433784,0.396614389,1.357322272,2.849753172,0.881871591,0.855507349,0.621249422,0.192249006,0.375687333,0.312870267,0.304266557,4.587132112,5.705548772,12.4426704,0.431874133,0.992824157,3.194714628,1.118799778,1.07554404,0.59281499,0.207605798,0.472145876,0.503568241,0.480909248,5.389058445,8.213620724,17.44693817,0.389222485,1.456623365,3.134797151,1.075002078,1.032151288,0.598021126,0.205076731,0.454601587,0.464913542,0.442887528,5.241950518,7.71506315,16.43527418,0.397031689,1.362402657 +UMLMON0103,L,"3,3-dimethylpentane",CCC(C)(C)CC,11229,,UML,[1],C7H16,UML,,86.6,0,1.0468,1.09579024,37.6509,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1604.188161,1510.389391,1032.388228,451.262617,103.124448,9.144576,0,3947.642614,5029.877407,7031.587075,8051.422878,6931.713574,4191.072239,1620.932031,279.7536999,0,181.25648,180.900988,339.464772,444.984316,561.055504,432.86698,244.259712,60.466176,0,30.31423229,39.56609758,58.49435701,71.17787888,68.13446145,45.07139101,20.01965301,4.001516144,0,4342.872585,3643.766351,7589.85513,9971.144834,13664.80308,10892.19649,6466.264847,1664.258868,0,42.3125,50,76.125,104.5,116.25,85,42,9,0,45.09238923,49.11105724,33.42058669,23.97443478,12.74553368,7.162898683,2.864568,1.016064,0,151.8324082,201.1950963,146.4913974,127.8003631,85.57671079,66.52495618,45.02588975,31.08374443,0,6.971403077,7.23603952,7.07218275,7.063243111,6.92661116,6.870904444,6.784992,6.718464,0,1.165932011,1.582643903,1.218632438,1.129807601,0.841166191,0.715418905,0.556101472,0.444612905,0,167.033561,145.7506541,158.1219819,158.2721402,168.7012726,172.8920077,179.618468,184.917652,0,1.627403846,2,1.5859375,1.658730159,1.435185185,1.349206349,1.166666667,1,0,0.035569321,-0.008387702,0.005351302,-0.018918608,-0.004894836,-0.003758765,0.008068758,0.004755191,0,670.5194345,-58.02572029,75.2185263,-441.9983879,-151.8697864,-50.86205112,189.1208661,103.1568361,0,1246.859521,-107.9013047,139.8720616,-821.9148763,-282.408353,-94.58015594,351.6783263,191.8245416,0,0.131350154,-0.01136684,0.014734793,-0.08658445,-0.029750249,-0.009963527,0.037047479,0.020207716,0,5.574042193,-0.482369036,0.625293195,-3.674341916,-1.262496736,-0.422817303,1.572165747,0.857544953,0,30.27828566,-2.620236259,3.396602558,-19.9590836,-6.857902307,-2.296750301,8.540029288,4.658197794,0,3.540865385,-1.86381287,1.164940828,-1.21200074,-0.170580621,-0.562962278,0.433801775,0.440181213,0,0.001368051,-3.36E-04,1.11E-04,-3.00E-04,-6.04E-05,-5.97E-05,2.24E-04,5.28E-04,0,25.78920902,-2.321028812,1.567052631,-7.015847427,-1.874935635,-0.807334145,5.253357393,11.46187067,0,47.95613541,-4.316052187,2.914001283,-13.04626788,-3.486522876,-1.501272317,9.768842398,21.31383796,0,0.005051929,-4.55E-04,3.07E-04,-0.001374356,-3.67E-04,-1.58E-04,0.001029097,0.002245302,0,0.214386238,-0.019294761,0.013026942,-0.058322888,-0.015586379,-0.006711386,0.043671271,0.095282773,0,1.164549448,-0.10480945,0.070762553,-0.316810851,-0.084665461,-0.036456354,0.237223036,0.517577533,0,0.13618713,-0.074552515,0.024269601,-0.019238107,-0.002105934,-0.008935909,0.012050049,0.048909024,0,-0.24524533,0.081492186,-0.219506007,-0.044172391,-0.043611641,0.163833228,0.386209736,0,-0.09,0.060763889,-0.272045855,-0.072702332,-0.031305115,0.203703704,0.444444444,0,-0.09,0.060763889,-0.272045855,-0.072702332,-0.031305115,0.203703704,0.444444444,0,-0.09,0.060763889,-0.272045855,-0.072702332,-0.031305115,0.203703704,0.444444444,0,-0.09,0.060763889,-0.272045855,-0.072702332,-0.031305115,0.203703704,0.444444444,0,-0.09,0.060763889,-0.272045855,-0.072702332,-0.031305115,0.203703704,0.444444444,0,-0.54742702,0.178207739,-0.141262298,-0.015463529,-0.065614931,0.088481557,0.359131025,0,1.782026413,0.959069723,1.340458992,0.968495063,0.875063827,0.455220955,9.54E-08,0,1.625,1.128472222,1.4329806,0.947359396,0.78813933,0.376157407,0,0,1.625,1.128472222,1.4329806,0.947359396,0.78813933,0.376157407,0,0,1.625,1.128472222,1.4329806,0.947359396,0.78813933,0.376157407,0,0,1.625,1.128472222,1.4329806,0.947359396,0.78813933,0.376157407,0,0,1.625,1.128472222,1.4329806,0.947359396,0.78813933,0.376157407,0,0,2.153428377,0.66191446,1.253785062,0.956098665,0.980614015,0.588368409,0,0,34.88529179,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,3.55E-15,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,34.88529179,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,3.55E-15,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,34.88529179,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,3.55E-15,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,34.88529179,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,3.55E-15,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,34.88529179,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,3.55E-15,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,34.88529179,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,3.55E-15,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,46.03281978,22.89140989,34.0458998,45.84531978,5.730664972,22.89140989,-0.25,0.091751915,0.011468989,-1.910933534,28.83623546,3.604529433,2.689306218,0,11.89,12.11011416,-0.167981532,0.052587228,5.362774882,9.213878134,7,25,25,25,7,0,0,0,0,0,19.677726,3.592735029,3.086849513,2.756611834,2.333552793,2.213410816,1.709776605,1.375415873,0.442430979,1.953664966,1.664255355,1.472941768,1.249629723,1.119681942,0.823029543,0.640118652,0.083923071,3.615998295,3.127435347,2.809002604,2.405454588,2.283163201,1.800433516,1.482790418,0.551903442,1.898878759,1.583752372,1.37707963,1.134540686,1.004432886,0.688455069,0.492644697,0.270913902,3.720224799,3.303771657,3.033454115,2.704236987,2.576236407,2.171881072,1.91400556,0.964952489,1.74139921,1.338428158,1.076868084,0.76031856,0.63171527,0.240466992,0.007862175,0.943918427,3.633241807,3.157244993,2.847328656,2.457539916,2.333901006,1.865848576,1.55975151,0.628798321,1.864303608,1.531713381,1.314432572,1.058262671,0.928178217,0.598468841,0.393354778,0.399277246,3.772086944,3.387940121,3.138462928,2.838982085,2.709729176,2.336024862,2.100280206,1.207644823,1.693522867,1.259495599,0.97763897,0.631337262,0.504315529,0.082162571,0.188878372,1.129601866,3.598210766,3.21026742,2.967836281,2.629038207,2.422780943,1.95342479,1.640467926,0.636613716,1.885844955,1.463965394,1.182144151,0.883583662,0.811679728,0.480010394,0.278684493,0.581818182,0,0,0,0,0,4,3,0,1,0,0,0,0,0,0,0,0,0,0,1.207106781,0.25,0,0,1.207106781,0.25,0,0,1.457106781,1.383883476,0.530330086,1.457106781,1.383883476,0.530330086,6.621320344,3.621320344,3.267766953,1.883883476,0.853553391,0.176776695,0,0,0.827665043,0.517331478,0.363085217,0.269126211,0.213388348,0.176776695,0,0,6.621320344,3.621320344,3.267766953,1.883883476,0.853553391,0.176776695,0,0,0.827665043,0.517331478,0.363085217,0.269126211,0.213388348,0.176776695,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,52,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,9.166736111,0,3.99125,0,0,0,0,0,0,0,0,0,0.592013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.247430556,0,1.306388889,0,0,0,0,0,0,0,0,0,0.592013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.329861111,0,1.364583333,0,0,0,0,0,0,0,0,0,0.592013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.75,1.71875,0.2,2.329861111,0,0.592013889,6.028855903,0.657986111,0.329861111,2.333472222,0.657986111,0.329861111,2.333472222,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0,0.125,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.32652,1.16582,9.32652,0,0,3.62132,0.45267,3.62132,0,0,0.29268,0.03658,0.29268,0.03658,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.295465679,3.122764718,3.089889603,2.651394241,23.15278265,34.39789514,59.68210766,81.19188266,80.33712969,68.93625025,0.189448582,0.281462171,0.488351264,0.66435587,0.657361819,0.564073661,3.809948078,3.377443751,2.404974039,1.577675,1.610550115,2.049045478,0.191756937,0.284891675,0.494301629,0.67245078,0.66537151,0.570946673,6.648700044,11.83875197,16.52018726,17.35395994,16.47527565,11.2133313,31.72521615,24.13720728,20.27759842,18.73658831,19.84998921,19.57347203,8,3.111111111,3.673469388,8,0,6,2.34,1.2358,1.785490327,5.421612022,0,2.555772417,1.650963624,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,3.354,9,7,4,1,0,0,0,0,0,36,2.079441542,2.302585093,2.079441542,1.609437912,0.693147181,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,3,1.111111111,0.375,0.08,0,0,0,0,0,0,0.428571429,0.12345679,0.053571429,0.02,0,0,0,0,0,0,0.625599647,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,0,146.9243357,4,3.496507561,4.17438727,4.990432587,5.693732139,6.517671273,7.22620901,8.0522965,8.762019954,9.588708312,73.50196461,2.708050201,0,3.931825633,0,5.361292166,0,6.86171134,0,8.385944905,8.634620608,114.1408506,4.390032714,14.4310606,1.803882575,0,0,0,67,7,4.868,32,1.2278,2.116401194,2.917531399,3.491129613,4.149725442,5.420669812,7.058444873,0,0,0,71.2221278,80.92015264,76.29176851,52.86276742,37.58045585,17.83798898,7.171831732,0,0,0,272.5498825,339.0696678,390.7909616,322.7997952,312.058416,261.4942538,219.4028965,0,0,0,8.919363223,15.03311663,20.64708401,24.23676534,28.64862666,36.86234266,47.42190778,0,0,0,2.081648384,2.75612872,3.405086826,3.083789335,3.229816643,3.153771913,3.138275679,0,0,0,176.77647,329.9402209,458.9097368,584.989305,706.8494808,967.0299128,1305.231053,0,0,0,2.5048,3.49530159,4.923972327,5.122008879,5.914627085,6.532401382,7.058444873,0,0,0,0.4321989,0.579781655,0.724221853,0.667471141,0.707580875,0.708050853,0.722784755,0,0,0,385.5651793,169.3003361,9.283955754,140.6069207,-61.74001235,-8.543909181,244.9582586,231.0403485,17.82786493,0.732773895,0.321758482,0.017644333,0.267226105,-0.117338058,-0.016237861,202.8736401,89.08111338,4.884958495,73.98343872,-32.48587195,-4.495566635,0.061568605,0.148621911,1.133203682,9.675094495,526.1721,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,772.0437614,27.78567547,9.173758561,1.89259598,1.526290971,493.3778267,488.9192699,126.0040284,1.009119209,3.91557185,3.88018761,4.145079663,4.466158665,7.63628977,0.709811572,5.020209962,6.639754612,2.91785385,30.11556552,7.085473679,10.99112304,10.33499562,9.304931721,7.936189053,3.69774677,3.632068833,0.073937924,1.544812114,1.267677695,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327453,0.172651819,9.901175202,2.031605912,0.342983905,0.667736559,0.507862007,2.131716203,0.063188491,0.028036188,0.008212694,0.127880219,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639356705,0.604931197,12.72639856,2.386071348,1.488917832,1.989391864,1.738934606,2.878102044,0.366826274,0.272221597,0.01265383,0.413976048,0.093040371,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639707964,2.704485898,28.41781683,6.536530975,9.975728433,9.512644878,8.566645745,7.425741086,3.320202306,3.237565143,0.066739291,1.456961205,1.129478003,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.639393989,0.939705521,15.05210916,2.830456667,2.580674811,3.090151718,2.751667851,3.52065171,0.705390494,0.585776175,0.018367329,0.611301281,0.202096118,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.6399506,3.759303908,36.92413069,9.389950807,15.16342546,13.64153758,12.26525724,10.00225513,5.271659595,5.290151795,0.104196175,1.871341804,1.848788779,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.115572728,5.458345801,1.293996193,18.83743165,4.105933993,4.885028632,4.875898242,4.176383271,4.915452326,1.333675458,1.23894564,0.03299753,1.038103892,0.429124615,1.22E-06,2.71E-33,1.16E-81,9.60E-152,1.53E-243,0,0,0,0,0,0,0,0,0,0,0,4.602292001,1.048856038,1.021895088,0.689684139,0.15717807,0.464329752,0.474055523,0.463843561,6.673043127,10.60202218,22.20789775,0.534526208,1.402228837,3.750907741,0.572402406,0.532345256,0.772482277,0.117883655,0.308451949,0.140285316,0.125876798,4.855655402,4.448522259,10.44713816,0.658723415,0.574614063,4.101671983,0.768919476,0.734117984,0.73182598,0.137191675,0.368799328,0.253913911,0.23938153,5.604709443,6.729444253,14.64945572,0.597738971,0.862094769,4.582443781,1.037768098,1.010489484,0.691094883,0.156509552,0.46033151,0.4640314,0.453547217,6.630701363,10.43467897,21.87077719,0.536642324,1.377910127,4.252526117,0.853336246,0.820858114,0.717517577,0.143981186,0.396421314,0.313079165,0.299291996,5.926720478,7.820023226,16.72550209,0.576276366,1.008792474,4.664053222,1.083352814,1.057383671,0.6854074,0.159204452,0.476882371,0.505931162,0.496619889,6.804789707,11.13002848,23.27758246,0.5281111,1.479433422,4.595682444,1.038936125,1.013817623,0.691242619,0.156267744,0.462999553,0.46519888,0.456539734,6.648436191,10.48709611,21.97612672,0.536863928,1.384738167 +UMLMON0104,L,"3,3-Dimethylhexane",CCCC(C)(C)CC,11233,,"Sandia, UML",[1],C8H18,PubChem,,83.4,0,1.4608,2.13393664,24.7797,15.46793,0,0,15,5,10,0,5,0,0,0,0,0,0,0,0,0,731.481245,698.127364,730.470052,500.445122,149.434992,15.24096,0,0,0,2428.421953,2841.433771,3319.576959,2984.058748,1759.442691,466.2561665,0,0,0,104.88722,101.338384,169.32136,176.39156,185.789376,100.77696,0,0,0,18.39062905,22.2910431,28.07503496,27.1757307,19.36279389,6.669193573,0,0,0,2483.148301,2038.402901,3823.989213,3966.177935,4643.030457,2773.76478,0,0,0,32.02777778,34.83333333,45,51.5,41,15,0,0,0,48.76541633,49.86624029,30.43625217,20.01780488,5.534629333,1.016064,0,0,0,161.8947969,202.9595551,138.3157066,119.3623499,65.16454411,31.08374443,0,0,0,6.992481333,7.238456,7.055056667,7.0556624,6.881088,6.718464,0,0,0,1.226041937,1.592217364,1.169793123,1.087029228,0.717140514,0.444612905,0,0,0,165.54322,145.6002072,159.3328839,158.6471174,171.964091,184.917652,0,0,0,2.135185185,2.488095238,1.875,2.06,1.518518519,1,0,0,0,0.034780558,-0.004274942,-0.004224681,-0.020823052,-0.001276213,0.013208609,0,0,0,403.5533633,-53.80711511,6.75E-14,-269.0355756,-80.71067267,201.7766817,0,0,0,750.4247115,-100.0566282,1.07E-13,-500.283141,-150.0849423,375.2123557,0,0,0,0.079053333,-0.010540444,4.54E-16,-0.052702222,-0.015810667,0.039526667,0,0,0,3.354747616,-0.447299682,-4.72E-16,-2.236498411,-0.670949523,1.677373808,0,0,0,18.22304229,-2.429738973,1.95E-14,-12.14869486,-3.644608459,9.111521147,0,0,0,4.914814815,-1.705679012,1.215925926,-2.128395062,-1.618888889,1.77962963,0,0,0,0.002318704,-3.05E-04,-1.76E-04,-8.33E-04,-4.73E-05,8.81E-04,0,0,0,26.90355756,-3.843365365,2.81E-15,-10.76142302,-2.989284173,13.45177878,0,0,0,50.0283141,-7.146902014,4.44E-15,-20.01132564,-5.558701566,25.01415705,0,0,0,0.005270222,-7.53E-04,1.89E-17,-0.002108089,-5.86E-04,0.002635111,0,0,0,0.223649841,-0.031949977,-1.97E-17,-0.089459936,-0.024849982,0.111824921,0,0,0,1.214869486,-0.173552784,8.14E-16,-0.485947795,-0.134985498,0.607434743,0,0,0,0.327654321,-0.121834215,0.05066358,-0.085135802,-0.059958848,0.118641975,0,0,0,-0.131691238,-0.075916719,-0.359218828,-0.020385152,0.379769894,0,0,0,-0.142857143,1.05E-16,-0.4,-0.111111111,0.5,0,0,0,-0.142857143,8.88E-17,-0.4,-0.111111111,0.5,0,0,0,-0.142857143,3.59E-15,-0.4,-0.111111111,0.5,0,0,0,-0.142857143,-8.79E-17,-0.4,-0.111111111,0.5,0,0,0,-0.142857143,6.70E-16,-0.4,-0.111111111,0.5,0,0,0,-0.371837657,0.154625094,-0.259834213,-0.182994223,0.362094951,0,0,0,1.393002947,1.087004873,1.402222491,0.860189078,0.075278294,0,0,0,1.5,1.05,1.428,0.855555556,0,0,0,0,1.5,1.05,1.428,0.855555556,0,0,0,0,1.5,1.05,1.428,0.855555556,0,0,0,0,1.5,1.05,1.428,0.855555556,0,0,0,0,1.5,1.05,1.428,0.855555556,0,0,0,0,1.695553881,0.56212321,1.571439337,1.055011304,0,0,0,0,13.31375144,6.65687572,10.4104119,13.31375144,2.662750288,6.659841172,-8.88E-16,0.126751897,0.025350379,-1.032761833,11.87880912,2.375761825,1.237378033,13.31375144,6.65687572,10.4104119,13.31375144,2.662750288,6.659841172,-8.88E-16,0.126751897,0.025350379,-1.032761833,11.87880912,2.375761825,1.237378033,13.31375144,6.65687572,10.4104119,13.31375144,2.662750288,6.659841172,-8.88E-16,0.126751897,0.025350379,-1.032761833,11.87880912,2.375761825,1.237378033,13.31375144,6.65687572,10.4104119,13.31375144,2.662750288,6.659841172,-8.88E-16,0.126751897,0.025350379,-1.032761833,11.87880912,2.375761825,1.237378033,13.31375144,6.65687572,10.4104119,13.31375144,2.662750288,6.659841172,-8.88E-16,0.126751897,0.025350379,-1.032761833,11.87880912,2.375761825,1.237378033,13.31375144,6.65687572,10.4104119,13.31375144,2.662750288,6.659841172,-8.88E-16,0.126751897,0.025350379,-1.032761833,11.87880912,2.375761825,1.237378033,18.58048848,9.146910908,14.87728949,18.40848848,3.681697697,9.147132876,-0.286666667,0.163457233,0.032691447,-0.905601947,10.79704975,2.15940995,1.189636463,0,11.89,12.11005553,-0.173455871,0.049510438,5.217367786,7.065138911,4,14,13,13,3,1,1,0,0,1,10.93207,3.478303157,2.758656042,2.226566714,1.664066127,0.424901583,0.083923071,0.083923071,0.083923071,1.845859217,1.456334089,1.117260821,0.797347215,0.083923071,0.083923071,0.083923071,0.083923071,3.501165735,2.809097121,2.295661624,1.756600436,0.537177616,0.270913902,0.270913902,0.270913902,1.788610577,1.362024587,1.004585363,0.660826397,0.270913902,0.270913902,0.270913902,0.270913902,3.605182792,3.026266897,2.584754718,2.135469256,0.963716016,0.943918427,0.943918427,0.943918427,1.626611356,1.068473572,0.639292662,0.20533838,0.943918427,0.943918427,0.943918427,0.943918427,3.518198314,2.846056108,2.345844755,1.823364094,0.616307761,0.399277246,0.399277246,0.399277246,1.75268982,1.300534979,0.929977013,0.569460236,0.399277246,0.399277246,0.399277246,0.399277246,3.657830275,3.128465056,2.715900086,2.302626892,1.207644823,1.207644823,1.207644823,1.207644823,1.578297582,0.972099121,0.513973,0.044024074,1.134150761,1.207644823,1.207644823,1.207644823,3.539406888,2.868893903,2.485247358,1.823129509,0.609857246,0.491803279,0.491803279,0.491803279,1.778774295,1.26479603,0.791793473,0.523957992,0.491803279,0.491803279,0.491803279,0.491803279,0,0,1,0,1,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.25,0,0,0,0.40824829,0,0,0.25,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.914213562,1.914213562,1.310660172,0.603553391,0,0,0,0,0.782842712,0.478553391,0.327665043,0.301776695,0,0,0,0,7.709139019,14.43918427,13.62745098,13.8,8.992772455,115.1412754,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.89869,24.835,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,2,2,0,1,0,0,0,0,0,0,0,0,2,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.928240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.378819444,0,0,0,0.533680556,0.580555556,0,0.378819444,0,0,0,0,0,0,0,0,4.127314815,3.673611111,1.111111111,0,0,0,0,0,0,1.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.378819444,0,0,0,0.243402778,0.290277778,0,0.378819444,0,0,0,0,0,0,0,0,2.027777778,3.673611111,1.111111111,0,0,0,0,0,0,1.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.673611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.378819444,0,0,0,0.290277778,0.290277778,0,0.378819444,0,0,0,0,0,0,0,0,2.099537037,3.673611111,1.111111111,0,0,0,0,0,0,1.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.16666667,2.033333333,0.378819444,3.673611111,0.097222222,1.111111111,3.309861111,0.412037037,0.673611111,1.601851852,0.412037037,0.673611111,1.601851852,2.5,0.5,0,0,0.43333,0.7,0.41765,0.41765,0.7,0.01569,0.01569,0,0,0.71429,0,0,0.6,0.2,0,3,0.6,2,0.4,1,0.2,-1,-0.2,0,0,3.32449,0.6649,4.43249,1.10801,0.2216,1.72875,0.34575,2.27005,0.5413,0.10826,0.14395,0.02879,0.14395,0.02879,0,4,0,0,0,0,0,0,0.6,0.918295834,2.173557262,3.006238929,3.006238929,2.485320183,1.316356651,13.77443751,32.60335893,45.09358393,45.09358393,37.27980274,19.74534976,0.235045188,0.556339424,0.769470978,0.769470978,0.636137645,0.336932048,2.988594762,1.733333333,0.900651667,0.900651667,1.421570413,2.590533945,0.235045188,0.556339424,0.769470978,0.769470978,0.636137645,0.336932048,6.73287657,16.50564042,17.34483785,17.34483785,11.09381289,1.326657184,19.74937501,12.45835189,12.15043656,12.15043656,9.02492408,3.561484539,5,2.25,4,5,2,4,2.01,0.7701,1.144714243,1.889881575,2.381101578,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.104,0.088,0.143,0.175,2.139,4,2,0,0,0,0,0,0,0,15,1.791759469,1.945910149,1.386294361,0,0,0,0,0,0,0,2.995732274,1.266666667,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,3,0.75,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,0,92.39992313,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,70.07825032,4.671883355,8.696801932,1.739360386,0,0,0,18,2,2.312,16,1.211428571,2.098017122,2.952472598,3.569229372,4.144266685,0,0,0,0,0,69.92739169,73.49106214,63.3689817,20.45827569,4.210840185,0,0,0,0,0,268.109486,317.7210459,366.1345666,237.8964023,128.8193265,0,0,0,0,0,8.79932869,14.86407934,20.86892914,24.5855154,27.84310653,0,0,0,0,0,2.049517408,2.622325481,3.297838139,2.602094062,1.842594449,0,0,0,0,0,174.488084,329.7914256,465.6292458,611.7613444,766.3480647,0,0,0,0,0,3.091964286,4.155453996,6.193665875,5.420452851,4.144266685,0,0,0,0,0,0.425593929,0.553186125,0.704857989,0.574310503,0.424372909,0,0,0,0,0,295.9487617,94.8246211,9.078656484,155.9224139,-49.95893118,-8.870647062,140.0263478,144.7835523,17.94930355,0.654940562,0.209848794,0.020091249,0.345059438,-0.11056012,-0.01963092,133.7307149,42.84851302,4.102383179,70.4568445,-22.57500097,-4.008389717,0.166760387,0.311224029,3.973140582,7.556008687,451.8711757,0,1,0,271.1514402,16.46667666,6.472478828,368.4464256,19.19495834,7.168992333,393.1622378,19.82831909,7.325837248,1.280632412,1.082380848,183.3774141,136.1409493,57.30739481,1.346967352,3.199890951,2.375626213,3.17872156,3.19886722,5.272006178,0.648085342,2.952490064,3.032619972,3.212828469,6.293874198,3.916320016,5.48344502,1.967037848,7.111958721,1.473149529,0.01105391,1.93E-23,6.47E-66,4.19E-130,5.24E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.247780732,3.016952406,0.209601806,3.604118084,0.042409275,0.337459336,0.241432011,0.337094106,0.010375513,7.79E-05,1.36E-25,4.56E-68,2.95E-132,3.69E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.799848276,3.017999688,0.716174751,3.938790709,0.324979407,1.170224751,0.50926857,1.259346312,0.108120841,8.11E-04,1.41E-24,4.75E-67,3.08E-131,3.84E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.786902164,3.030899932,2.991314727,6.053374395,3.499385561,5.091417651,1.831540852,6.53424645,1.312549708,0.009848834,1.72E-23,5.76E-66,3.73E-130,4.67E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.178831661,3.019357232,1.0955283,4.232182066,0.669843404,1.806513914,0.718189004,2.029217713,0.234852914,0.00176224,3.07E-24,1.03E-66,6.68E-131,8.35E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.565596079,3.039852429,4.075752388,7.270441509,5.664163255,7.022366604,2.502622216,9.435995978,2.148450139,0.016121088,2.81E-23,9.43E-66,6.11E-130,7.64E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.535170277,2.186537746,1.366512057,4.467559622,1.007237833,2.62725139,0.867256989,2.623109818,0.356311361,0.002673614,4.66E-24,1.56E-66,1.01E-130,1.27E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.750185793,1.273512754,0.33309122,0.631241336,0.292305303,0.571759519,0.445755222,0.39998634,4.356789767,4.842655342,10.36606269,0.446862004,1.417501081,1.873947286,0.747511591,0.071809214,0.695789362,0.277548156,0.267831219,0.155577905,0.018589989,2.693268092,1.58904222,4.382900466,0.543684042,0.441999113,2.221123059,0.9572599,0.175581946,0.662238014,0.285411424,0.374397858,0.253713183,0.111142076,3.353964905,2.684258703,6.411544544,0.493357022,0.739253118,2.728419814,1.26056323,0.326622614,0.632221762,0.292094165,0.562803829,0.436855976,0.38460178,4.315605658,4.742237761,10.1812115,0.448332643,1.384261584,2.376269256,1.050357689,0.221837724,0.651306638,0.287890328,0.42788712,0.304758525,0.177414696,3.648464669,3.256087806,7.458244501,0.476959956,0.910060341,2.818347107,1.314036413,0.353342699,0.62829227,0.292937275,0.600269879,0.474174176,0.450102095,4.485726219,5.16355827,10.95785763,0.442438404,1.524546149,2.723578559,1.265981367,0.32572615,0.631146698,0.293371365,0.560856532,0.440716565,0.382493485,4.315286076,4.747503702,10.18589345,0.446720047,1.384066582 +UMLMON0105,L,2-Methyl-1-Butene,CCC(=C)C,11240,RON from [9],"Sandia, UML","[1], [9]",C5H10,PubChem,,81.9,0,1.7268,2.98183824,28.697,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,1045.244598,873.72298,286.677216,30.48192,0,0,0,2914.106344,3494.423905,4458.251484,4634.248866,3145.880449,932.5123329,0,0,0,125.864664,123.114164,212.074584,241.296016,290.957184,201.55392,0,0,0,22.06875486,27.30703172,36.76914939,40.54834087,33.39023292,13.33838715,0,0,0,2979.777961,2471.442353,4753.658325,5291.624482,7067.04909,5547.529561,0,0,0,37.55555556,41.22222222,55.33333333,72.66666667,70,30,0,0,0,48.76541633,50.97680359,34.8414866,25.69773471,6.825648,1.016064,0,0,0,161.8947969,205.5543474,148.6083828,136.3014372,74.90191545,31.08374443,0,0,0,6.992481333,7.242009647,7.0691528,7.096941647,6.927552,6.718464,0,0,0,1.226041937,1.606295984,1.225638313,1.192598261,0.795005546,0.444612905,0,0,0,165.54322,145.3789619,158.4552775,155.6360142,168.2630736,184.917652,0,0,0,2.086419753,2.424836601,1.844444444,2.137254902,1.666666667,1,0,0,0,0.037845127,-0.007313313,0.004195443,-0.020193286,-0.022327019,0.026715611,0,0,0,484.264036,-53.80711511,80.71067267,-349.7462482,-322.8426907,403.5533633,0,0,0,900.5096538,-100.0566282,150.0849423,-650.3680833,-600.3397692,750.4247115,0,0,0,0.094864,-0.010540444,0.015810667,-0.068512889,-0.063242667,0.079053333,0,0,0,4.025697139,-0.447299682,0.670949523,-2.907447934,-2.683798093,3.354747616,0,0,0,21.86765075,-2.429738973,3.644608459,-15.79330332,-14.57843384,18.22304229,0,0,0,5.555555556,-2.333333333,2,-1.111111111,-4.666666667,3.333333333,0,0,0,0.002102507,-4.30E-04,1.40E-04,-5.94E-04,-5.32E-04,8.91E-04,0,0,0,26.90355756,-3.165124418,2.690355756,-10.28665436,-7.68673073,13.45177878,0,0,0,50.0283141,-5.885684011,5.00283141,-19.12847304,-14.29380403,25.01415705,0,0,0,0.005270222,-6.20E-04,5.27E-04,-0.002015085,-0.001505778,0.002635111,0,0,0,0.223649841,-0.026311746,0.022364984,-0.085513175,-0.063899955,0.111824921,0,0,0,1.214869486,-0.142925822,0.121486949,-0.464508921,-0.347105568,0.607434743,0,0,0,0.308641975,-0.137254902,0.066666667,-0.032679739,-0.111111111,0.111111111,0,0,0,-0.204610432,0.066514929,-0.28248189,-0.252838951,0.423551655,0,0,0,-0.117647059,0.1,-0.382352941,-0.285714286,0.5,0,0,0,-0.117647059,0.1,-0.382352941,-0.285714286,0.5,0,0,0,-0.117647059,0.1,-0.382352941,-0.285714286,0.5,0,0,0,-0.117647059,0.1,-0.382352941,-0.285714286,0.5,0,0,0,-0.117647059,0.1,-0.382352941,-0.285714286,0.5,0,0,0,-0.444705882,0.216,-0.105882353,-0.36,0.36,0,0,0,1.490488958,0.90413532,1.442505656,1.167157836,0.082393556,0,0,0,1.5,0.991666667,1.5,1.113095238,0,0,0,0,1.5,0.991666667,1.5,1.113095238,0,0,0,0,1.5,0.991666667,1.5,1.113095238,0,0,0,0,1.5,0.991666667,1.5,1.113095238,0,0,0,0,1.5,0.991666667,1.5,1.113095238,0,0,0,0,1.8,0.498666667,1.36,1.457142857,0,0,0,0,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,27.35121281,13.49227307,20.7392081,27.10676837,4.517794728,13.49227607,-0.366666667,0.121228414,0.020204736,-1.266047278,14.2004966,2.366749433,1.591966161,0,11.89,12.11007471,-0.171717965,0.050870917,5.799201109,7.822760625,5,17,16,16,4,1,1,0,0,1,13.118484,3.54688642,2.882741093,2.333552793,2.225633185,1.311576857,0.377869599,0.083923071,0.083923071,1.888164914,1.504295285,1.249629723,1.113576313,0.502978359,0.083923071,0.083923071,0.083923071,3.567872114,2.925735049,2.405454588,2.294583306,1.408670279,0.499309956,0.270913902,0.270913902,1.83436842,1.417106347,1.134540686,1.001341106,0.359699224,0.270913902,0.270913902,0.270913902,3.663676216,3.11439833,2.704236987,2.582939642,1.807291365,0.960747317,0.943918427,0.943918427,1.683492613,1.151735752,0.76031856,0.637314864,0.119164066,0.943918427,0.943918427,0.943918427,3.583520973,2.957433039,2.457539916,2.344653769,1.478828883,0.584911008,0.399277246,0.399277246,1.800743558,1.360737634,1.058262671,0.927013719,0.263743778,0.399277246,0.399277246,0.399277246,3.712418321,3.205173364,2.838982085,2.713681341,1.983213056,1.207644823,1.207644823,1.207644823,1.638855195,1.066797447,0.631337262,0.512357958,0.288976647,1.145127163,1.207644823,1.207644823,3.584776845,3.006353795,2.5,2.5,1.463021768,0.601457103,0.5,0.5,1.845134323,1.305468963,1,0.761471008,0.243535217,0.5,0.5,0.5,0,0,1,0,1,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.666666667,0,0.333333333,0,0.49279928,0,0.204124145,0,1.333333333,0,0,0.90104757,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,4.78445705,2.296929064,2.001053209,0.98559856,0,0,0,0,0.797409508,0.459385813,0.333508868,0.24639964,0,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,24,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,3,2,0,1,0,0,0,0,0,0,0,0,3,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.013888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.777083333,0.580555556,0,0.363194444,0,0,0,0,0,0,0,0,6.328703704,3.75462963,0,0,0,0,0.657407407,0,0,1.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.243402778,0.290277778,0,0.363194444,0,0,0,0,0,0,0,0,2.046296296,3.75462963,0,0,0,0,0.657407407,0,0,1.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.75462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.290277778,0.290277778,0,0.363194444,0,0,0,0,0,0,0,0,2.141203704,3.75462963,0,0,0,0,0.657407407,0,0,1.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,2,0.363194444,3.75462963,0.069444444,0.657407407,4.029814815,0.675925926,0.75462963,2.166666667,0.675925926,0.75462963,2.166666667,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.66667,0.33333,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.86109,0.81018,6.13075,1.26965,0.21161,2.1183,0.35305,2.64272,0.52442,0.0874,0.27128,0.04521,0.27128,0.04521,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.102187171,2.821888196,2.821888196,2.358563195,1.311361806,16.52932501,37.83936908,50.79398752,50.79398752,42.45413752,23.60451251,0.220218789,0.504130691,0.676723969,0.676723969,0.565612857,0.314480909,3.251629167,2.06773783,1.348036806,1.348036806,1.811361806,2.858563195,0.220218789,0.504130691,0.676723969,0.676723969,0.565612857,0.314480909,6.73287657,16.17613249,16.90146519,16.90146519,11.34156519,1.321623254,23.69925001,15.20198837,15.1849632,15.1849632,12.4050132,5.16683403,6,2.222222222,3,6,2,4,2.12,0.911,2.289428485,0,5.656854249,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.108,0.104,0.16,2.41,6,4,0,0,0,0,0,0,0,21,1.945910149,2.197224577,1.945910149,0,0,0,0,0,0,0,3.295836866,1.238095238,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,3,0.5,2,0.888888889,0,0,0,0,0,0,0,0,0.4,0.148148148,0,0,0,0,0,0,0,0,0.548148148,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,0,109.6959078,3.584962501,3.135494216,3.761200116,4.465908119,5.141663557,5.837730447,6.52649486,7.220373837,7.912423121,8.605753368,63.60704164,2.397895273,0,3.555348061,0,4.875197323,0,6.244166901,0,7.626082758,7.917536354,84.09390038,4.671883355,10.52364588,1.75394098,0,0,0,29,4,2.816,22,1.218176471,2.109577003,2.965464999,3.556975226,4.053990696,0,0,0,0,0,72.09694811,84.47532388,81.56922727,24.99486158,4.119114003,0,0,0,0,0,273.7619267,344.3950826,419.6816095,271.8261257,126.0132107,0,0,0,0,0,8.854038609,14.9811238,21.08149346,24.66690704,27.23659055,0,0,0,0,0,2.083499297,2.772766011,3.631620955,2.871011147,1.80245658,0,0,0,0,0,175.1053983,329.3958065,458.9515989,596.4544215,749.6544409,0,0,0,0,0,3.014607843,4.114653341,6.479454464,5.978653571,4.053990696,0,0,0,0,0,0.432308382,0.582443448,0.770957677,0.629492981,0.415128647,0,0,0,0,0,320.5263574,116.8023746,9.515343608,120.3539891,-43.85795863,-7.047911932,200.1723682,160.6603332,16.56325554,0.727014393,0.264929874,0.021582599,0.272985607,-0.099478144,-0.015985997,141.3137715,51.49587138,4.195127987,53.06170843,-19.336112,-3.107285855,0.146648919,0.272946783,3.493975888,6.523694273,440.8803465,0,1,0,333.2330094,18.25467089,6.932917066,449.9020669,21.21089501,7.66253838,529.7674607,23.01667788,8.091488599,1.128899747,1.044625866,237.8401085,159.6500088,110.8199766,1.489759445,2.146184432,1.440624819,3.473358942,3.200382783,5.273083328,0.64764145,3.51029105,3.98112584,3.605910462,9.615812917,4.886256274,7.099059847,7.389380437,7.818133351,2.898681102,0.013494541,2.02E-23,6.74E-66,4.49E-130,5.85E-216,1.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.294593113,3.965427528,0.223657464,5.616238863,1.017038304,1.437220007,0.497125885,0.390097908,0.020415648,9.50E-05,1.42E-25,4.74E-68,3.16E-132,4.12E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.950964342,3.966476943,0.774023613,6.286675776,1.301180293,2.462660571,1.466047351,1.434574296,0.212746793,9.90E-04,1.48E-24,4.94E-67,3.29E-131,4.29E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.3134208,3.979402453,3.349315577,9.319325544,4.47050405,6.706363811,6.812514788,7.196506942,2.582672676,0.012023393,1.80E-23,6.00E-66,4.00E-130,5.21E-216,1.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.401548931,3.967837182,1.193408684,6.790248666,1.646372185,3.205270752,2.261213417,2.291645153,0.462114463,0.002151331,3.22E-24,1.07E-66,7.15E-131,9.32E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.239221521,3.988372358,4.612209984,10.77220136,6.628706107,8.605359456,9.701161989,10.30922426,4.227453965,0.019680519,2.95E-23,9.82E-66,6.54E-130,8.53E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.888911292,2.743932672,1.499812825,6.948803981,2.004744586,4.717038598,3.167466302,3.117641773,0.724670276,0.003373635,5.06E-24,1.68E-66,1.12E-130,1.46E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.456493695,1.76017599,0.524094047,0.518164126,0.371285322,0.552080646,0.504298169,0.422344983,4.740763733,6.533792705,13.54066637,0.334174172,1.478723798,1.709719081,1.127687354,0.194498023,0.563909287,0.371940267,0.287280117,0.23234941,0.05920089,3.031904458,2.479898528,5.886800734,0.403774331,0.578830416,2.002273056,1.382862366,0.325472472,0.539607825,0.372678118,0.380797109,0.333908721,0.164429976,3.710607894,3.87063645,8.482434675,0.368428915,0.879135805,2.437638932,1.744878186,0.515940074,0.518816887,0.371372583,0.544296001,0.496906667,0.409441921,4.698457192,6.411311189,13.30425912,0.335284205,1.45064459,2.134521069,1.494793189,0.383819693,0.531883833,0.372475279,0.427253319,0.381934347,0.227963184,4.013133951,4.58366984,9.821444832,0.356538669,1.03715085,2.515619586,1.807974047,0.549620585,0.516213627,0.371002375,0.576885268,0.527671145,0.464015288,4.873214217,6.924510983,14.29749576,0.330824002,1.568571702,2.436455244,1.752363361,0.514907106,0.517984125,0.372547948,0.545107525,0.503592432,0.407348987,4.70372571,6.426407363,13.32855723,0.335798109,1.456048945 +UMLMON0106,L,"2,3-Dimethyl-1-Butene",CC(C)C(=C)C,11249,RON from [9],"Sandia, UML","[1], [9]",C6H12,PubChem,,82.8,0,2.6446,6.99390916,29.8868,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,1023.06255,867.626596,308.859264,36.578304,0,0,0,2914.106344,3494.423905,4290.94574,4447.7464,3313.186193,1119.0148,0,0,0,125.864664,123.114164,211.276248,200.985232,291.75552,241.864704,0,0,0,22.06875486,27.30703172,35.43128658,37.88066344,34.72809573,16.00606457,0,0,0,2979.777961,2471.442353,4817.248533,4182.118569,7003.458882,6657.035473,0,0,0,33.55555556,40.11111111,53.33333333,60,66,36,0,0,0,48.76541633,50.97680359,34.102085,30.98666414,7.353792,1.016064,0,0,0,161.8947969,205.5543474,143.0315247,158.8480857,78.88538554,31.08374443,0,0,0,6.992481333,7.242009647,7.0425416,7.178044,6.94656,6.718464,0,0,0,1.226041937,1.606295984,1.181042886,1.352880837,0.826859422,0.444612905,0,0,0,165.54322,145.3789619,160.5749511,149.3613775,166.749021,184.917652,0,0,0,1.864197531,2.359477124,1.777777778,2.142857143,1.571428571,1,0,0,0,0.028563285,0.004993622,0.001018674,-0.032089973,-0.015300317,0.027096351,0,0,0,484.264036,-53.80711511,161.4213453,-430.4569209,-403.5533633,484.264036,0,0,0,900.5096538,-100.0566282,300.1698846,-800.4530256,-750.4247115,900.5096538,0,0,0,0.094864,-0.010540444,0.031621333,-0.084323556,-0.079053333,0.094864,0,0,0,4.025697139,-0.447299682,1.341899046,-3.578397457,-3.354747616,4.025697139,0,0,0,21.86765075,-2.429738973,7.289216918,-19.43791178,-18.22304229,21.86765075,0,0,0,3.308641975,-1.322359396,1.769547325,-1.838134431,-3.423868313,3.160493827,0,0,0,0.001586849,2.94E-04,3.40E-05,-0.00114607,-3.64E-04,7.53E-04,0,0,0,26.90355756,-3.165124418,5.380711511,-15.37346146,-9.608413413,13.45177878,0,0,0,50.0283141,-5.885684011,10.00566282,-28.58760806,-17.86725503,25.01415705,0,0,0,0.005270222,-6.20E-04,0.001054044,-0.003011556,-0.001882222,0.002635111,0,0,0,0.223649841,-0.026311746,0.044729968,-0.127799909,-0.079874943,0.111824921,0,0,0,1.214869486,-0.142925822,0.242973897,-0.694211135,-0.433881959,0.607434743,0,0,0,0.183813443,-0.077785847,0.058984911,-0.065647658,-0.081520674,0.087791495,0,0,0,0.185110519,0.021398262,-0.722230264,-0.229570187,0.474321349,0,0,0,-0.117647059,0.2,-0.571428571,-0.357142857,0.5,0,0,0,-0.117647059,0.2,-0.571428571,-0.357142857,0.5,0,0,0,-0.117647059,0.2,-0.571428571,-0.357142857,0.5,0,0,0,-0.117647059,0.2,-0.571428571,-0.357142857,0.5,0,0,0,-0.117647059,0.2,-0.571428571,-0.357142857,0.5,0,0,0,-0.423178227,0.320895522,-0.357142857,-0.443496802,0.47761194,0,0,0,1.143370934,1.341487022,2.037953361,0.863223555,0,0,0,0,1.5,0.85,1.821428571,1.214285714,0,0,0,0,1.5,0.85,1.821428571,1.214285714,0,0,0,0,1.5,0.85,1.821428571,1.214285714,0,0,0,0,1.5,0.85,1.821428571,1.214285714,0,0,0,0,1.5,0.85,1.821428571,1.214285714,0,0,0,0,1.880597015,0.494776119,1.590351812,1.468017058,0,0,0,0,17.10468636,8.552343178,11.73848384,17.10468636,2.850781059,8.552804898,3.55E-15,2.22E-16,3.70E-17,-21.62619203,19.11354926,3.185591544,1.770238481,17.10468636,8.552343178,11.73848384,17.10468636,2.850781059,8.552804898,3.55E-15,2.22E-16,3.70E-17,-21.62619203,19.11354926,3.185591544,1.770238481,17.10468636,8.552343178,11.73848384,17.10468636,2.850781059,8.552804898,3.55E-15,2.22E-16,3.70E-17,-21.62619203,19.11354926,3.185591544,1.770238481,17.10468636,8.552343178,11.73848384,17.10468636,2.850781059,8.552804898,3.55E-15,2.22E-16,3.70E-17,-21.62619203,19.11354926,3.185591544,1.770238481,17.10468636,8.552343178,11.73848384,17.10468636,2.850781059,8.552804898,3.55E-15,2.22E-16,3.70E-17,-21.62619203,19.11354926,3.185591544,1.770238481,17.10468636,8.552343178,11.73848384,17.10468636,2.850781059,8.552804898,3.55E-15,2.22E-16,3.70E-17,-21.62619203,19.11354926,3.185591544,1.770238481,19.01928889,9.487422222,13.14343006,18.98965926,3.16494321,9.487587743,-0.044444444,3.89E-16,6.48E-17,-21.29042256,17.26440334,2.877400556,1.709188063,0,11.89,12.11007471,-0.171641681,0.050926005,5.93534507,7.704530162,5,17,16,16,4,1,1,0,0,1,13.118484,3.577678359,2.754514655,2.333552793,2.333552793,1.380180602,0.083923071,0.083923071,0.083923071,1.884441385,1.459722328,1.249629723,1.249629723,0.200363762,0.083923071,0.083923071,0.083923071,3.595476868,2.805077402,2.405454588,2.405454588,1.453787495,0.270913902,0.270913902,0.270913902,1.833962164,1.364136899,1.134540686,1.134540686,0.114414899,0.270913902,0.270913902,0.270913902,3.678680972,3.023972383,2.704236987,2.704236987,1.746119582,0.943918427,0.943918427,0.943918427,1.696272366,1.066668566,0.76031856,0.76031856,0.202004847,0.943918427,0.943918427,0.943918427,3.608851245,2.842205793,2.457539916,2.457539916,1.506439339,0.399277246,0.399277246,0.399277246,1.802748674,1.301799776,1.058262671,1.058262671,0.054393436,0.399277246,0.399277246,0.399277246,3.722170417,3.127406898,2.838982085,2.838982085,1.868921379,1.207644823,1.207644823,1.207644823,1.65682606,0.969233411,0.631337262,0.631337262,0.322850423,1.207644823,1.207644823,1.207644823,3.588132899,2.904174121,2.546278942,2.546278942,1.518899637,0.529411765,0.529411765,0.529411765,1.802208064,1.222230739,0.958043648,0.958043648,0.045591384,0.529411765,0.529411765,0.529411765,0,0,0,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0.666666667,0,0.333333333,0,0.5,0,0.25,0,1.333333333,0,0,1,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,5,2.25,2,1,0,0,0,0,0.833333333,0.45,0.333333333,0.25,0,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,24,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.851851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.161111111,0,0,0,0,0,0,0,0,0,0,8.481481481,0,0,0,0,0,0,0,0,2.851851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.425925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290277778,0,0,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,0,0,0,0,1.425925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.425925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290277778,0,0,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,0,0,0,0,1.425925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.33333333,1.888888889,0.290277778,2.12037037,0.069444444,1.425925926,3.261888889,0.240740741,0.12037037,0.962962963,0.240740741,0.12037037,0.962962963,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.66667,0.33333,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,5.21661,0.86944,6.13075,0.91413,0.15236,1.98885,0.33148,2.64272,0.65387,0.10898,0.27128,0.04521,0.27128,0.04521,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.224394445,1.224394445,1.224394445,0.872180556,0.389975,16.52932501,22.03910002,22.03910002,22.03910002,15.69925001,7.019550009,0.220218789,0.293625052,0.293625052,0.293625052,0.209159771,0.093520867,3.251629167,2.945530556,2.945530556,2.945530556,3.297744445,3.779950001,0.220218789,0.293625052,0.293625052,0.293625052,0.209159771,0.093520867,6.73287657,10.40605991,10.40605991,10.40605991,6.179493238,0.393026567,23.69925001,20.47920002,20.47920002,20.47920002,16.25263335,4.679700006,6,2.222222222,3,6,2,4,2.12,0.911,2.289428485,0,5.656854249,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.099,0.064,0.179,0.192,2.662,6,4,0,0,0,0,0,0,0,21,1.945910149,2.397895273,2.197224577,0,0,0,0,0,0,0,3.433987204,1.428571429,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.8,0,2,3,0.5,2,0.888888889,0,0,0,0,0,0,0,0,0.4,0.148148148,0,0,0,0,0,0,0,0,0.548148148,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,0,109.6959078,3.584962501,3.135494216,3.761200116,4.465908119,5.141663557,5.837730447,6.52649486,7.220373837,7.912423121,8.605753368,63.60704164,2.397895273,0,3.555348061,0,4.875197323,0,6.244166901,0,7.626082758,7.917536354,84.09390038,4.671883355,10.52364588,1.75394098,0,0,0,29,4,2.434,22,1.207397348,2.076070663,3.099017007,3.706345804,4.288018608,0,0,0,0,0,72.12673237,84.02992438,103.0806451,28.4916887,4.356901339,0,0,0,0,0,272.899674,335.0632511,508.7507125,301.6988606,133.2876745,0,0,0,0,0,8.777829678,14.70853224,22.26744727,25.79083711,28.80889865,0,0,0,0,0,2.073528238,2.685589355,4.282004633,3.1391732,1.906508409,0,0,0,0,0,173.4229391,327.0373382,461.4684678,614.4862624,792.9303329,0,0,0,0,0,2.950649301,3.943345921,6.753972713,5.935698491,4.288018608,0,0,0,0,0,0.43011254,0.563977646,0.903750156,0.68628874,0.439093105,0,0,0,0,0,273.1188079,89.91600691,7.493000576,61.13617844,-20.12721527,-3.16572961,211.9826295,110.0432222,10.65873019,0.817097183,0.269004235,0.02241702,0.182902817,-0.060215153,-0.009471002,91.29132342,30.05487366,2.504572805,20.43507249,-6.727622067,-1.058160908,0.083333333,0.233834161,2.003888872,2.507635237,334.2549864,0,1,0,330.7653333,18.18695503,6.915761305,451.0810708,21.23866923,7.66922597,516.7357725,22.7318229,8.024589822,1.174474866,1.09302944,269.665614,166.9423761,115.5297772,1.615321528,2.334165447,1.445015996,3.598200283,3.239646161,5.351274373,0.651808286,4.959674166,4.10106849,1.757912373,10.05386828,3.378503924,6.287003306,2.636942367,5.689021818,3.846190723,0.296444448,1.07E-18,9.84E-58,1.76E-118,6.11E-201,4.08E-305,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.416233732,4.087452346,0.085430023,5.758451828,1.638604583,0.310923391,1.331889407,0.420527082,0.027102689,0.002087882,7.55E-21,6.93E-60,1.24E-120,4.30E-203,2.87E-307,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.343646787,4.088362308,0.316697579,6.277984947,1.954930244,1.146489184,1.53930057,1.395014345,0.282323716,0.021757345,7.87E-20,7.22E-59,1.29E-119,4.48E-202,2.99E-306,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.681527998,4.099573594,1.616566776,9.664521702,3.258253574,5.78520661,2.536183508,5.330784482,3.42689609,0.264126666,9.55E-19,8.76E-58,1.57E-118,5.44E-201,3.63E-305,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.980286775,4.089542027,0.508152933,6.740703943,2.183605807,1.834179451,1.69919361,2.093935973,0.613211239,0.047259861,1.71E-19,1.57E-58,2.81E-119,9.74E-202,6.50E-306,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.98952423,4.107354304,2.325484732,11.63894325,3.839331859,8.299286363,3.033697088,7.05595248,5.609263167,0.432336367,1.56E-18,1.43E-57,2.57E-118,8.91E-201,5.95E-305,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.780164003,3.802255508,0.670242117,7.335412524,2.643024829,2.692662861,2.056826814,2.981517146,1.078047866,0.083086506,3.01E-19,2.76E-58,4.95E-119,1.71E-201,1.14E-305,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.786242679,2.153601757,0.352975157,0.526419356,0.406891208,0.698229007,0.691708542,0.444440771,5.292819593,7.744099496,15.15493139,0.399965845,1.834378319,1.908898088,1.297556936,0.076095878,0.581528861,0.395289205,0.327768692,0.251133254,0.020656078,3.282550902,2.720901965,6.191935048,0.465227099,0.599558025,2.257350149,1.637550886,0.186063341,0.553141351,0.401265665,0.458335199,0.399961667,0.123494392,4.080964375,4.421224034,9.189976336,0.431610525,0.981791258,2.764522027,2.132408572,0.346120406,0.527273533,0.406711392,0.687386752,0.678163989,0.427346372,5.243051005,7.590018075,14.87348019,0.400977387,1.792897113,2.412669891,1.789099867,0.235080365,0.543779894,0.403236489,0.523568762,0.47740557,0.197132542,4.436850123,5.304260948,10.7558372,0.420524575,1.198106874,2.854244266,2.219951939,0.374435552,0.523846058,0.407432919,0.732721637,0.734978511,0.500126384,5.448631757,8.23624455,16.05740671,0.396918465,1.967826532,2.766496532,2.134038945,0.345771583,0.527322648,0.406769737,0.688368983,0.679201356,0.426485438,5.24630706,7.59827725,14.8859545,0.401138578,1.794055777 +UMLMON0107,L,"2,3-Dimethyl-2-Butene",CC(=C(C)C)C,11250,,"Sandia, UML",[1],C6H12,PubChem,,80.5,0,0.4804,0.23078416,25.857,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,890.291353,1115.814094,937.17398,254.239776,18.289152,0,0,0,2644.81273,3144.163273,3956.119707,3802.835659,2241.926113,559.5073998,0,0,0,118.238936,111.372268,196.107592,227.226368,222.86016,120.932352,0,0,0,19.03383305,23.6303831,31.19832786,30.87993833,21.90649449,8.003032287,0,0,0,2668.599586,2191.74623,4315.593522,4860.479151,5167.588057,3328.517736,0,0,0,75.55555556,41.88888889,64.33333333,98,78,18,0,0,0,61.71557788,59.35275687,41.32644793,31.23913267,8.4746592,1.016064,0,0,0,165.3007956,209.6108849,146.5229521,126.7611886,74.73087045,31.08374443,0,0,0,7.3899335,7.424817867,7.263244148,7.574212267,7.428672,6.718464,0,0,0,1.189614566,1.575358873,1.155493625,1.029331278,0.730216483,0.444612905,0,0,0,166.7874742,146.1164153,159.8367971,162.0159717,172.2529352,184.917652,0,0,0,4.722222222,2.792592593,2.382716049,3.266666667,2.6,1,0,0,0,0.121025513,-0.048030778,0.007378934,0.012116105,-0.045179696,0.013202678,0,0,0,523.7576238,-43.92541314,140.7294365,-306.3358488,-396.9373015,344.590315,0,0,0,766.4429154,-94.95499335,89.28516151,-470.164965,-405.3582493,497.9715884,0,0,0,1.03666,-0.00156025,0.14481275,-0.3496845,-0.5478825,0.2359845,0,0,0,3.391946473,-0.464107523,-0.097110631,-1.973119717,-1.027398234,1.865762869,0,0,0,18.82152525,-2.587911668,-1.351021359,-10.63137114,-4.418058908,9.577600449,0,0,0,33.30555556,-1.918402778,4.546875,-8.03125,-18.28125,7.03125,0,0,0,0.007564095,-0.003202052,2.73E-04,4.04E-04,-0.00150599,7.33E-04,0,0,0,32.73485148,-2.928360876,5.212201354,-10.21119496,-13.23124338,19.14390639,0,0,0,47.90268221,-6.33033289,3.306857834,-15.6721655,-13.51194164,27.66508825,0,0,0,0.06479125,-1.04E-04,0.005363435,-0.01165615,-0.01826275,0.01311025,0,0,0,0.211996655,-0.030940502,-0.00359669,-0.065770657,-0.034246608,0.103653493,0,0,0,1.176345328,-0.172527445,-0.050037828,-0.354379038,-0.14726863,0.532088914,0,0,0,2.081597222,-0.127893519,0.168402778,-0.267708333,-0.609375,0.390625,0,0,0,-0.423322557,0.036130412,0.053393061,-0.199097175,0.096968925,0,0,0,-0.089456978,0.159224836,-0.311936499,-0.404194392,0.584817267,0,0,0,-0.132149863,0.069032832,-0.327166763,-0.282070669,0.577526914,0,0,0,-0.001605412,0.082780239,-0.179903151,-0.281870623,0.202345996,0,0,0,-0.145948065,-0.016965787,-0.310243845,-0.161543152,0.488939285,0,0,0,-0.146663943,-0.042536683,-0.301254257,-0.125191665,0.452323736,0,0,0,-0.061440089,0.080900751,-0.128607173,-0.292743953,0.18765638,0,0,0,1.120424891,0.715627764,1.397238433,1.396558834,0.003208833,0,0,0,1.170927332,0.787366103,1.36885108,1.337055762,0,0,0,0,1.491123972,1.004070686,1.306269823,1.044504574,0,0,0,0,0.512040592,0.518095508,1.577122682,1.700571065,0,0,0,0,1.594610489,1.112433977,1.303290045,0.898214131,0,0,0,0,1.599979575,1.132286945,1.309539338,0.871412624,0,0,0,0,0.580483736,0.518950978,1.531276063,1.711426188,0,0,0,0,17.73713436,8.99356718,13.33074871,17.90380103,2.983966838,8.993899536,0.25,0.077420581,0.01290343,-1.535101575,15.29858361,2.549763935,1.63665615,17.73880157,8.994033576,13.33137525,17.90497863,2.984163104,8.994365704,0.249265579,0.077403381,0.012900563,-1.535234891,15.29833085,2.549721808,1.636646236,19.2227029,9.411854209,13.93887979,18.95670658,3.159451096,9.41204538,-0.398994478,0.057986566,0.009664428,-1.708526353,15.2947886,2.549131433,1.636507293,17.74055136,8.994523081,13.33203293,17.90621456,2.984369094,8.994854969,0.2484948,0.07738532,0.012897553,-1.535374908,15.29806594,2.549677656,1.636635847,20.80762516,9.862665448,14.75359568,20.08609565,3.347682608,9.862780214,-1.082294264,0.024002671,0.004000445,-2.237754109,16.47012243,2.745020405,1.680928787,17.91181893,9.04247656,13.39696242,18.02724172,3.004540287,9.042786098,0.173134186,0.075573465,0.012595577,-1.549590033,15.27409251,2.545682084,1.635694856,21.40495641,10.79208824,16.48633804,21.60924212,3.601540354,10.79214945,0.612857143,0.129666786,0.021611131,-1.225672383,14.22271898,2.370453163,1.592904369,0,11.89,15.99491589,-0.29920706,0.193066775,4.115247042,7.174253512,5,15,14,14,4,1,1,0,0,1,11.89007,3.552324808,2.858496616,2.333552793,2.067506861,1.184248022,0.083923071,0.083923071,0.083923071,1.83786375,1.446782794,1.249629723,0.649877297,0.144254282,0.083923071,0.083923071,0.083923071,3.5117139,2.848771772,2.405454588,1.961658367,1.194083734,0.270913902,0.270913902,0.270913902,1.807055976,1.374479688,1.134540686,0.643199569,0.163951732,0.270913902,0.270913902,0.270913902,3.651066943,3.076952739,2.704236987,2.342255858,1.660787366,0.943918427,0.943918427,0.943918427,1.624145838,1.077544944,0.76031856,0.232798157,0.365844096,0.943918427,0.943918427,0.943918427,3.512580739,2.867930093,2.457539916,1.954064441,1.227034073,0.399277246,0.399277246,0.399277246,1.791091456,1.329603574,1.058262671,0.646503041,0.116340018,0.399277246,0.399277246,0.399277246,3.685244024,3.157972182,2.838982085,2.408609267,1.811586248,1.207644823,1.207644823,1.207644823,1.586002574,0.995780522,0.631337262,0.154796114,0.50548803,1.207644823,1.207644823,1.207644823,4.646873846,3.253551155,2.738099794,2.587517045,1.52928356,0.555555556,0.555555556,0.555555556,1.70062849,1.149755988,0.920850378,0.306061131,0.433081699,0.555555556,0.555555556,0.555555556,0,0,0,1,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.666666667,0,0.333333333,0,0.406526265,0,0.11785113,0,1.333333333,0,0,0.642228525,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,4.48559856,2.147499818,1.765350948,0.81305253,0,0,0,0,0.74759976,0.429499964,0.294225158,0.203263132,0,0,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,1.2314,25.519,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,24,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,2,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.14351852,0.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.013194444,0.802777778,0,0,0,0,0,0,0,0,0,0,5.384259259,0,0,0,0,0,0.212962963,0,0,0.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.14351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.14351852,0.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305902778,0.401388889,0,0,0,0,0,0,0,0,0,0,1.601851852,0,0,0,0,0,0.212962963,0,0,0.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.14351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.14351852,0.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,1.891203704,0,0,0,0,0,0.212962963,0,0,0.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.14351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,2.666666667,0.565972222,10.14351852,0.305902778,0.212962963,2.379953704,1.407407407,3.143518519,6.287037037,1.407407407,3.143518519,6.287037037,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.42,0.49792,0.82778,0.07792,0,-0.07792,0,0.57047,0.14382,0,0.64706,0.35294,0,4.25,0.70833,2.75,0.45833,1.5,0.25,-1.25,-0.20833,0,0,4.3321,0.72202,6.13075,1.79864,0.29977,1.92436,0.32073,2.64272,0.71836,0.11973,0.27128,0.04521,0.27128,0.04521,0,5.01,1,1,1,1,0,0,0.8,1.198192411,1.798794941,2.608458593,2.608458593,2.108458593,0.983458593,19.17107858,28.78071905,41.73533749,41.73533749,33.73533749,15.73533749,0.299548103,0.449698735,0.652114648,0.652114648,0.527114648,0.245864648,2.801807589,2.201205059,1.391541407,1.391541407,1.891541407,3.016541407,0.299548103,0.449698735,0.652114648,0.652114648,0.527114648,0.245864648,10.71860945,17.9258398,18.7418391,18.7418391,12.7418391,0.991154188,21.96987352,15.23794941,15.79229297,15.79229297,12.79229297,4.542292967,6,2.222222222,3,6,1,4,1.9,0.8288,1.144714243,0,4.242640687,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.437,0.423,0.559,0.164,2.661,6,4,0,0,0,0,0,0,0,21,1.945910149,2.197224577,1.945910149,0,0,0,0,0,0,0,3.295836866,1.238095238,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,3,0.5,2,0.888888889,0,0,0,0,0,0,0,0,0.4,0.148148148,0,0,0,0,0,0,0,0,0.548148148,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,17.07,101.1901498,3.584962501,3.135494216,3.761200116,4.465908119,5.141663557,5.837730447,6.52649486,7.220373837,7.912423121,8.605753368,63.60704164,2.397895273,0,3.555348061,0,4.875197323,0,6.244166901,0,7.626082758,7.917536354,86.07316494,5.379572809,10.52364588,1.75394098,2.325355914,2.325355914,0,29,4,0.731,22,1.2268,2.112273498,2.936455353,3.543726032,4.197361673,0,0,0,0,0,82.78024119,99.43300452,98.02033774,30.88606211,4.264788091,0,0,0,0,0,280.7281514,338.7474884,388.3148092,273.1542496,130.4697175,0,0,0,0,0,9.137724337,15.46111316,22.29503064,26.28984473,28.19982329,0,0,0,0,0,2.061570699,2.604148865,3.115659422,2.663772251,1.866201166,0,0,0,0,0,177.2249115,333.1140169,473.214072,606.6646325,776.1662652,0,0,0,0,0,3.474488889,5.38269341,9.784769913,9.151975701,4.197361673,0,0,0,0,0,0.444136,0.584687302,0.739948472,0.64364208,0.429809835,0,0,0,0,0,322.6707562,134.359726,8.512437561,121.3884158,-50.54599457,-18.50604676,201.2823404,184.9057206,27.01848432,0.726639098,0.302571672,0.019169602,0.273360902,-0.11382716,-0.041674731,143.2849088,59.66366869,3.780025974,53.9036394,-22.44541249,-8.217779799,0.317218128,0.718521233,1.197129881,35.99383467,393.964849,50.09432293,0.887189983,0.112810017,382.2140291,19.55029486,7.257196369,479.08439,21.88799648,7.824753652,611.4113532,24.72673357,8.487461806,1.159112747,1.040951324,233.4267505,158.5192234,106.3467503,1.472545383,2.194958941,1.490588315,3.39504454,3.222561645,5.273470069,0.636421782,2.80222057,3.881199419,2.709266493,7.784781741,2.86081283,3.111567086,4.886055172,5.131357284,2.461198564,0.01085568,1.87E-23,6.42E-66,4.38E-130,5.92E-216,1.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.251664719,3.881080659,0.201990091,4.336793933,0.931516546,0.919338075,0.409134184,0.320194317,0.017334423,7.65E-05,1.32E-25,4.52E-68,3.09E-132,4.17E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765026468,3.880971071,0.542792253,4.627942783,1.09377705,0.964945955,1.085667717,1.103667272,0.18063805,7.97E-04,1.37E-24,4.71E-67,3.22E-131,4.35E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650178473,3.881244822,2.787757271,7.712929945,2.786030527,3.439385079,4.615801482,4.772915705,2.192883611,0.009672216,1.66E-23,5.72E-66,3.91E-130,5.28E-216,1.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.11993283,3.880940732,0.753357849,4.959927952,1.242163042,1.041563384,1.598293318,1.698852241,0.392369982,0.001730638,2.98E-24,1.02E-66,6.99E-131,9.44E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.384110175,3.881325441,3.645535655,8.928064341,3.726663568,4.047837501,6.329571615,6.563412229,3.589426799,0.01583199,2.72E-23,9.36E-66,6.39E-130,8.63E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.711806416,3.262892239,2.606365586,7.43311469,2.406955652,5.31440885,3.003147445,2.750405352,0.759629187,0.003350519,5.77E-24,1.98E-66,1.35E-130,1.83E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.598658955,1.301992849,0.509328437,0.589267709,0.295237796,0.52892672,0.484286219,0.472679123,4.409980241,5.370148262,11.50340835,0.383901564,1.485892061,1.725742287,1.143545858,0.184731406,0.565072442,0.3744396,0.313389411,0.305763616,0.051325346,3.054019551,2.503513077,5.922093674,0.409268063,0.670478373,2.079648598,1.112532078,0.311022732,0.593641977,0.317575644,0.343915002,0.350916682,0.171602382,3.503203408,3.306516532,7.529325701,0.390462966,0.866434065,2.52681693,1.339035032,0.502781804,0.578399808,0.306511167,0.501064747,0.507526508,0.453696391,4.368633765,5.32717641,11.39697059,0.367599712,1.462287646,2.281638498,1.105794666,0.363653296,0.608260706,0.294793169,0.408678339,0.351768348,0.243117547,3.751086461,3.754874918,8.423467257,0.412391059,1.003564234,2.651894008,1.340171283,0.535605181,0.585708263,0.295995765,0.550739762,0.512065897,0.52162199,4.527670473,5.692163051,12.12337016,0.378562395,1.584427649,2.528837175,1.344784414,0.502634491,0.577854021,0.30729107,0.501933529,0.511638456,0.452654068,4.37625608,5.347756636,11.43334235,0.366781032,1.466226054 +UMLMON0108,L,3-Methyl-2-butanone,CC(C)C(=O)C,11251,Opting for Sandia/UML values,"Sandia, UML",[9],C5H10O,PubChem,,102.2,0,1.4529,2.11091841,36.4724,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1725.25417,1698.001544,987.012939,272.79504,27.433728,0,0,3947.642614,5029.877407,7256.714489,8778.467523,7488.257092,3743.781294,839.2610996,0,0,181.25648,180.900988,339.488488,447.40304,623.892972,490.914432,181.398528,0,0,30.31423229,39.56609758,59.5007813,76.19789159,75.14314174,44.05289444,12.00454843,0,0,4342.872585,3643.766351,7595.322043,9785.84112,15132.82441,12741.75907,4992.776605,0,0,43.59027778,51.16666667,77.20833333,113.25,134.25,90,27,0,0,45.09238923,49.11105724,35.94279521,26.95240546,10.96681043,3.78882,1.016064,0,0,151.8324082,201.1950963,151.1815518,139.3407543,83.20285658,51.99696242,31.08374443,0,0,6.971403077,7.23603952,7.072676833,7.101635556,6.932144133,6.818256,6.718464,0,0,1.165932011,1.582643903,1.23959961,1.209490343,0.834923797,0.611845756,0.444612905,0,0,167.033561,145.7506541,158.2358759,155.3308114,168.1424935,176.9688759,184.917652,0,0,1.676549145,2.046666667,1.608506944,1.797619048,1.491666667,1.25,1,0,0,0.034868372,-0.009829724,0.012622776,-0.020707288,-0.018771179,0.004667458,0.014583771,0,0,670.5194345,-58.02572029,196.2845353,-544.438857,-393.2854375,154.7352541,309.4705082,0,0,1246.859521,-107.9013047,364.999475,-1012.407303,-731.331065,287.7368124,575.4736249,0,0,0.131350154,-0.01136684,0.038450793,-0.106651834,-0.077041917,0.030311574,0.060623148,0,0,5.574042193,-0.482369036,1.63171748,-4.525931695,-3.269390132,1.286317429,2.572634858,0,0,30.27828566,-2.620236259,8.863515246,-24.5849328,-17.75937909,6.987296691,13.97459338,0,0,4.000267094,-2.491442719,2.22066075,-1.212986933,-1.724482249,-0.269970414,1.478088018,0,0,0.001341091,-3.93E-04,2.63E-04,-3.29E-04,-2.09E-04,6.48E-05,5.40E-04,0,0,25.78920902,-2.321028812,4.089261152,-8.64188662,-4.369838195,2.149100751,11.46187067,0,0,47.95613541,-4.316052187,7.60415573,-16.06995719,-8.125900722,3.996344617,21.31383796,0,0,0.005051929,-4.55E-04,8.01E-04,-0.001692886,-8.56E-04,4.21E-04,0.002245302,0,0,0.214386238,-0.019294761,0.033994114,-0.071840186,-0.036326557,0.01786552,0.095282773,0,0,1.164549448,-0.10480945,0.184656568,-0.390237029,-0.197326434,0.097045787,0.517577533,0,0,0.153856427,-0.099657709,0.046263766,-0.019253761,-0.019160914,-0.003749589,0.054744001,0,0,-0.293185851,0.196089935,-0.245089295,-0.155521598,0.048338106,0.402761303,0,0,-0.09,0.158564815,-0.335097002,-0.169444444,0.083333333,0.444444444,0,0,-0.09,0.158564815,-0.335097002,-0.169444444,0.083333333,0.444444444,0,0,-0.09,0.158564815,-0.335097002,-0.169444444,0.083333333,0.444444444,0,0,-0.09,0.158564815,-0.335097002,-0.169444444,0.083333333,0.444444444,0,0,-0.09,0.158564815,-0.335097002,-0.169444444,0.083333333,0.444444444,0,0,-0.647731856,0.300694398,-0.125141089,-0.124537624,-0.024370702,0.355812245,0,0,1.83000019,0.807150078,1.465824467,1.118834906,0.659196746,9.42E-05,0,0,1.625,1.03443287,1.57627866,1.053240741,0.564236111,0,0,0,1.625,1.03443287,1.57627866,1.053240741,0.564236111,0,0,0,1.625,1.03443287,1.57627866,1.053240741,0.564236111,0,0,0,1.625,1.03443287,1.57627866,1.053240741,0.564236111,0,0,0,1.625,1.03443287,1.57627866,1.053240741,0.564236111,0,0,0,2.25332176,0.509948588,1.374329527,1.126226881,0.781197837,0,0,0,32.63033722,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,-3.55E-15,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,32.63033722,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,-3.55E-15,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,32.63033722,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,-3.55E-15,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,32.63033722,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,-3.55E-15,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,32.63033722,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,-3.55E-15,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,32.63033722,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,-3.55E-15,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,46.41952658,23.05811398,34.31794781,46.19205262,5.774006577,23.05811398,-0.303298611,0.08659039,0.010823799,-1.95725315,25.42394399,3.177992999,2.588553125,0,11.89,12.11011416,-0.158168268,0.063317183,5.598556974,9.218400949,7,25,25,25,7,0,0,0,0,0,19.677726,3.61529844,3.07136948,2.633404258,2.333552793,2.333552793,1.838393289,1.227434618,0.406441823,1.962164385,1.646394991,1.404041859,1.249629723,1.249629723,0.890079348,0.470045972,0.083923071,3.637374815,3.111265539,2.690693159,2.405454588,2.405454588,1.922740797,1.330945089,0.522639921,1.908928043,1.565545347,1.302544748,1.134540686,1.134540686,0.761132528,0.322939144,0.270913902,3.736755696,3.285747906,2.934594266,2.704236987,2.704236987,2.270668972,1.75081996,0.962616277,1.757042216,1.320226725,0.981451671,0.76031856,0.76031856,0.335350532,0.1724602,0.943918427,3.653762855,3.140636618,2.732524027,2.457539916,2.457539916,1.983732675,1.405408281,0.604396897,1.875432491,1.513357117,1.235954466,1.058262671,1.058262671,0.67516596,0.224165091,0.399277246,3.786501259,3.369573086,3.047746735,2.838982085,2.838982085,2.425698103,1.934019927,1.207644823,1.711220202,1.241780195,0.874195211,0.631337262,0.631337262,0.18626698,0.349920217,1.138227377,3.606859787,3.187135367,2.846756186,2.607254599,2.607254599,2.056158302,1.442974693,0.615591084,1.9109678,1.448096619,1.109485706,0.903112587,0.903112587,0.572795623,0.146082334,0.568047337,0,0,0,0,0,5,1,1,1,0,0,0,0,0,0,0,0,0,0,1.570149549,0.288675135,0.612372436,0.204124145,1.570149549,0.288675135,0.612372436,0.204124145,2.29489442,1.717544151,0.816496581,2.29489442,1.717544151,0.816496581,6.78445705,3.481380475,3.675321265,2.090770275,0.612372436,0,0,0,0.848057131,0.497340068,0.367532126,0.261346284,0.204124145,0,0,0,6.78445705,3.481380475,3.675321265,2.090770275,0.612372436,0,0,0,0.848057131,0.497340068,0.367532126,0.261346284,0.204124145,0,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,43,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,5,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,11.42997685,0,1.295138889,0,0,0,0.849537037,0,0,0,0,0,0.508680556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.245949074,0,1.295138889,0,0,0,0.849537037,0,0,0,0,0,0.508680556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.305555556,0,1.295138889,0,0,0,0.849537037,0,0,0,0,0,0.508680556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.08333333,1.760416667,0.2,2.305555556,0,0.508680556,6.047686921,0.741319444,0.305555556,2.859953704,0.741319444,0.305555556,2.859953704,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.625,0.125,0.125,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.87351,1.23419,9.87351,0,0,3.48137,0.43517,3.48137,0,0,0.43263,0.05408,0.43263,0.05408,0,7,0,0,0,0,0,0,1,0.89049164,1.36704393,2.186661009,2.977594044,2.796807901,2.073663329,23.15278265,35.54314217,56.85318624,77.41744515,72.71700543,53.91524656,0.189448582,0.290833201,0.4652035,0.633471382,0.595009844,0.44116369,3.809948078,3.333395788,2.513778709,1.722845674,1.903631817,2.626776389,0.191756937,0.294376887,0.470871819,0.641189977,0.6022598,0.446539093,6.648700044,12.36732752,16.0913829,16.88850501,14.71907129,8.028569344,31.72521615,23.58736256,19.5115274,19.56928622,18.48456937,15.04963265,8,2.52,2.8125,8,0,5,2.34,1.2358,3.453222023,2.251600064,2.871745887,3.494135594,0,1,0.5,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.131,0.009,0.004,3.126,10,8,3,0,0,0,0,0,0,36,2.079441542,2.397895273,2.197224577,1.386294361,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,7,1,0,2,4,1,3.5,1.555555556,0.375,0,0,0,0,0,0,0,0.5,0.155555556,0.046875,0,0,0,0,0,0,0,0.702430556,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,0,146.9243357,4,3.555348061,4.262679877,5.093750201,5.837730447,6.665683718,7.418780883,8.245121966,9.000976444,9.826552511,74.90662411,2.708050201,0,4.007333185,0,5.493061443,0,7.041411664,0,8.611593867,8.847216104,114.1408506,4.390032714,14.27506506,1.784383133,0,0,0,63,8,4.807,34,1.2278,2.115728773,2.940592732,3.483150921,4.039607182,5.232313993,0,0,0,0,71.2221278,87.331823,85.08575207,43.53259647,17.66410327,5.316365885,0,0,0,0,272.5498825,351.7650236,425.8101611,306.0325314,227.8379907,162.6399109,0,0,0,0,8.919363223,15.034845,20.9170714,24.18647133,27.62796807,35.1531132,0,0,0,0,2.081648384,2.816384767,3.652892859,3.01020965,2.613880005,2.326354323,0,0,0,0,176.77647,329.6995075,454.3505232,582.6750792,708.1227895,967.5472182,0,0,0,0,2.554006667,3.566333875,5.378081323,5.305411836,5.262181747,5.232313993,0,0,0,0,0.4321989,0.591022767,0.774424111,0.65397807,0.581882036,0.535788953,0,0,0,0,365.5889697,158.5222281,8.710041916,132.5246172,-57.46370746,-7.943168728,233.0643524,215.9859356,16.65321064,0.733946994,0.31824514,0.017486056,0.266053006,-0.115362658,-0.015946501,182.104833,78.96207565,4.338590221,66.01231246,-28.62345344,-3.956600267,0.069906388,0.149945248,1.110367255,8.544623402,498.1135869,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,802.7825626,28.33341777,9.293928139,1.356712851,1.205835205,402.2350976,350.6655414,175.5377837,1.147061944,2.291444549,1.997664172,4.005806409,3.220218461,6.42424645,0.994972244,5.020209962,6.639747311,3.146753005,33.39584926,5.779165731,8.175491935,12.12351992,15.87589566,7.307921636,6.848678346,1.605890969,1.126710556,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327401,0.172231541,11.19507196,2.520086018,0.198384417,0.791179373,0.828446203,1.079077926,0.085380733,0.01131149,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639356169,0.616509384,14.63444099,2.762175118,0.961711406,2.405323499,2.925947131,1.657705419,0.598086754,0.117866056,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639701459,2.907031473,31.65032007,5.429947728,7.381141141,11.18246914,14.61013113,6.681502245,6.127625593,1.430820678,1.00387882,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.639392825,0.969856243,17.31978142,3.054006229,1.742539166,3.720938774,4.655017803,2.260625367,1.207719227,0.256018195,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.639939952,4.099761049,40.29750171,7.242135323,11.46405312,15.88859003,20.95368588,9.905556565,9.866997258,2.34203757,1.643201455,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.089828701,5.15200951,1.26108368,21.23764515,3.989383164,3.224142371,5.84268694,7.252823959,3.679786561,2.365819604,0.518189813,0.363564458,2.59E-15,3.56E-51,9.43E-109,4.82E-188,4.75E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.232310161,1.571722687,1.031582922,0.553893589,0.269332792,0.494925825,0.487819114,0.472272603,5.83561577,10.03605345,21.11241501,0.330840383,1.455017542,2.529466781,0.994999333,0.543337743,0.621826143,0.244603567,0.302559108,0.194873012,0.131480342,4.067803857,4.431793224,9.867079162,0.432739214,0.628912462,2.81914177,1.232692723,0.744590252,0.587758991,0.257002411,0.376107664,0.299504578,0.246527139,4.796424745,6.49209201,13.87606881,0.381638487,0.922139381,3.215934427,1.558285398,1.020209206,0.555004541,0.268928205,0.489904897,0.479478868,0.46194868,5.79442903,9.882046673,20.78909464,0.332506812,1.431332445,2.943674118,1.334878993,0.831098655,0.576100731,0.261246569,0.410197152,0.351419973,0.306947737,5.109651766,7.485348477,15.86075981,0.364151097,1.068564862,3.283263549,1.613533025,1.066971913,0.550535044,0.270555946,0.510713156,0.514233391,0.505121608,5.963768487,10.52239857,22.13861526,0.325802567,1.530068155,3.223945742,1.562389465,1.022364074,0.555020253,0.268974066,0.492451654,0.482203964,0.463836146,5.808699282,9.930436029,20.88884333,0.332530379,1.438491763 +UMLMON0109,L,"2,2,3-Trimethylpentane",CCC(C)C(C)(C)C,11255,,"Sandia, UML","[1], [4]",C8H18,PubChem,,99.9,0,0.4696,0.22052416,31.6134,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1289.413615,1247.086518,705.420914,187.959744,18.289152,0,0,3461.958223,4376.887272,5892.91255,6542.707301,5420.034116,2682.356663,559.5073998,0,0,160.279036,159.125208,296.711548,379.704408,437.680712,367.587072,120.932352,0,0,26.63610648,34.55010896,49.80024258,58.14276159,54.10499216,32.03627372,8.003032287,0,0,3846.242925,3210.7269,6660.186019,8682.960304,10516.12215,9604.011958,3328.517736,0,0,37.80555556,44.44444444,66,87.33333333,96,66,18,0,0,44.61329874,48.14991518,30.70032417,23.09419478,11.19715737,3.480736,1.016064,0,0,150.5199227,198.9494215,140.3074417,121.1612463,86.03228755,49.67327153,31.08374443,0,0,6.968653739,7.232964,7.064560667,7.031563111,6.947312889,6.807168,6.718464,0,0,1.158091586,1.570459498,1.185720062,1.076717807,0.858809399,0.593264328,0.444612905,0,0,167.2279533,145.9421318,158.5758576,160.7955612,166.9225738,177.8520733,184.917652,0,0,1.643719807,2.02020202,1.571428571,1.617283951,1.523809524,1.222222222,1,0,0,0.031819436,-0.007326065,-7.18E-04,-0.005132311,-0.0185107,0.006219816,0.009557796,0,0,589.5388264,-58.58770946,-8.010038403,-215.5844622,-377.8449544,163.4047834,201.8529677,0,0,1096.272622,-108.9463475,-14.89500845,-400.8885132,-702.6188272,303.8581724,375.354213,0,0,0.115486609,-0.01147693,-0.001569112,-0.042231516,-0.074017233,0.032009875,0.039541611,0,0,4.900848691,-0.487040864,-0.066587618,-1.792158178,-3.14103307,1.358387409,1.678007976,0,0,26.62148787,-2.645613702,-0.361704998,-9.735031668,-17.06214149,7.378781965,9.114965957,0,0,3.311594203,-1.754568368,0.402016383,0.543793321,-1.784656585,0.029300567,0.90831758,0,0,0.001383454,-3.33E-04,-1.71E-05,-9.50E-05,-2.94E-04,1.15E-04,5.31E-04,0,0,25.63212289,-2.663077703,-0.1907152,-3.992304855,-5.997538958,3.026014508,11.21405376,0,0,47.66402704,-4.952106706,-0.354643058,-7.423861355,-11.1526798,5.627003192,20.85301183,0,0,0.005021157,-5.22E-04,-3.74E-05,-7.82E-04,-0.001174877,5.93E-04,0.002196756,0,0,0.213080378,-0.022138221,-0.001585419,-0.033188114,-0.049857668,0.025155322,0.093222665,0,0,1.157455995,-0.120255168,-0.008612024,-0.180278364,-0.270827643,0.13664411,0.506386998,0,0,0.143982357,-0.079753108,0.009571819,0.010070247,-0.028327882,5.43E-04,0.050462088,0,0,-0.240704067,-0.012361315,-0.068699657,-0.212381971,0.083256697,0.38381382,0,0,-0.103896104,-0.007440476,-0.155753968,-0.233985261,0.118055556,0.4375,0,0,-0.103896104,-0.007440476,-0.155753968,-0.233985261,0.118055556,0.4375,0,0,-0.103896104,-0.007440476,-0.155753968,-0.233985261,0.118055556,0.4375,0,0,-0.103896104,-0.007440476,-0.155753968,-0.233985261,0.118055556,0.4375,0,0,-0.103896104,-0.007440476,-0.155753968,-0.233985261,0.118055556,0.4375,0,0,-0.553908892,0.066479108,0.069940838,-0.196745511,0.003768539,0.350474106,0,0,1.779126246,1.045180029,1.15074343,1.215252463,0.578893642,1.97E-05,0,0,1.642857143,1.183248299,1.254960317,1.14739229,0.501984127,0,0,0,1.642857143,1.183248299,1.254960317,1.14739229,0.501984127,0,0,0,1.642857143,1.183248299,1.254960317,1.14739229,0.501984127,0,0,0,1.642857143,1.183248299,1.254960317,1.14739229,0.501984127,0,0,0,1.642857143,1.183248299,1.254960317,1.14739229,0.501984127,0,0,0,2.164113786,0.75132854,0.953440311,1.309332778,0.738147338,0,0,0,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36.66771569,18.2128261,27.50219345,36.49481319,5.213544742,18.21282612,-0.242063492,0.031648572,0.004521225,-2.417143579,25.31665866,3.616665523,2.262023837,0,11.89,12.11009426,-0.163409124,0.057468363,5.441367979,8.270756013,6,22,22,22,6,0,0,0,0,0,17.491312,3.547091456,3.006727816,2.625332469,2.333552793,1.853163973,1.373147991,0.818880303,0.083923071,1.933625663,1.614659685,1.400273545,1.249629723,0.899030164,0.579772508,0.29344402,0.083923071,3.572575547,3.049614047,2.683051633,2.405454588,1.937022925,1.473944507,0.950986794,0.270913902,1.876026464,1.530418028,1.298376168,1.134540686,0.770731171,0.437160388,0.128999822,0.270913902,3.685697279,3.235898148,2.928576466,2.704236987,2.28293488,1.882095956,1.467025567,0.943918427,1.708478401,1.272462707,0.975707696,0.76031856,0.347249146,0.043413613,0.441766602,0.943918427,3.591408314,3.081117918,2.725184981,2.457539916,1.997659662,1.546401872,1.044765816,0.399277246,1.839505092,1.475848305,1.231499507,1.058262671,0.685210023,0.341388863,0.0174233,0.399277246,3.741381865,3.32465606,3.042370063,2.838982085,2.437090457,2.059937866,1.683446735,1.207644823,1.656875508,1.189153554,0.867806618,0.631337262,0.199017248,0.215751764,0.654087056,1.207644823,3.556661354,3.149113765,2.852668766,2.61879123,2.081679667,1.600884837,1.130589446,0.575342466,1.861756535,1.392574014,1.093101619,0.892763832,0.572621593,0.250751474,0.100577264,0.575342466,0,0,0,0,0,4,1,2,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.569035594,0,0.23570226,0,1.276142375,0.707106781,0.23570226,1.276142375,0.707106781,0.23570226,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.6885,34.293,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,4,0,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,9.081018519,0,1.31712963,0,0,0,1.768518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.240740741,0,1.31712963,0,0,0,0.865740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.296296296,0,1.31712963,0,0,0,0.902777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.16666667,1.738095238,0.2,2.296296296,0.2,0.865740741,5.309476852,0.467592593,0.296296296,2.162037037,0.467592593,0.296296296,2.162037037,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.57143,0.28571,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.55695,1.07956,7.55695,0,0,3.18073,0.45439,3.18073,0,0,0.23327,0.03332,0.23327,0.03332,0,6,0,0,0,0,0,0,1,0.886540893,1.306170652,2.272499456,2.782731521,2.782982088,2.278459357,20.39044053,30.04192499,52.26748748,64.00282497,64.00858803,52.4045652,0.195982923,0.288748262,0.502369477,0.615163791,0.615219182,0.503687001,3.637021063,3.217391304,2.2510625,1.740830436,1.740579868,2.2451026,0.19880132,0.292900702,0.509593968,0.624010358,0.624066546,0.510930439,6.634953582,11.67051069,15.15114862,15.66537327,14.82033975,7.826158094,27.76507516,21.21742031,18.72159455,18.5427486,15.32960231,11.000393,7,3.06122449,2.666666667,7,0,5,2.23,1.0949,1.944161297,1.941967087,4.930998067,0,0,1.414213562,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,2.811,7,6,2,0,0,0,0,0,0,28,1.945910149,2.079441542,1.945910149,1.098612289,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,2,1.111111111,0.25,0,0,0,0,0,0,0,0.333333333,0.158730159,0.041666667,0,0,0,0,0,0,0,0.533730159,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,0,129.6283511,3.807354922,3.295836866,3.970291914,4.691347882,5.398162702,6.120297419,6.834108739,7.556427969,8.272059622,8.994296558,68.13282967,2.564949357,0,3.713572067,0,5.056245805,0,6.463029457,0,7.890956716,8.168486417,100.1252005,4.353269587,12.50524286,1.786463266,0,0,0,46,6,4.201,26,1.224818182,2.110657079,2.894505449,3.511633513,4.185783688,5.352201744,0,0,0,0,69.72220731,74.05869283,74.56712261,45.48046627,16.59196324,5.438179512,0,0,0,0,268.787596,322.8305105,372.2390591,323.9122253,223.1749698,166.3664711,0,0,0,0,8.893455721,14.97231911,20.39963401,24.46277228,28.56611771,35.95857474,0,0,0,0,2.059771149,2.666275448,3.246447642,3.161677674,2.605250183,2.379657965,0,0,0,0,176.6115071,330.2656746,462.0932757,581.1491615,738.6527364,989.7165796,0,0,0,0,2.523888889,3.443557609,4.803360557,5.514555883,5.298299459,5.352201744,0,0,0,0,0.427911136,0.562382111,0.691176692,0.685527963,0.58170642,0.548065459,0,0,0,0,362.7794696,141.3189035,8.686955574,130.4490063,-50.81574917,-7.82937436,232.3304633,192.1346527,16.51632993,0.735520124,0.286518136,0.017612437,0.264479876,-0.103026795,-0.015873727,178.9331648,69.70250739,4.284653857,64.34116453,-25.06377451,-3.861670382,0.076653362,0.166681099,1.217533687,9.498315139,493.2284758,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,629.2361872,25.08458067,8.569152997,1.356712851,1.205835205,381.1611578,287.3251537,129.8528154,1.326584717,2.935332259,2.212698684,3.89945406,3.220218461,6.42424645,0.994972244,4.462408855,5.691170425,2.670859423,23.44903725,6.568018348,4.460822489,7.840284493,15.46295756,5.403743144,5.57390701,0.884220332,1.126710553,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851779,0.160901199,7.713112089,1.533703778,0.102791063,0.6539462,0.741540241,1.016461953,0.07636488,0.006228704,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690873702,0.561082962,9.930973606,1.884584279,0.51069496,1.816010774,2.720038211,1.391533131,0.504429319,0.064899514,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691135664,2.477525131,22.13398855,6.020416409,4.023630434,7.292506695,14.1985964,4.951033146,4.991801439,0.787825132,1.003878818,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690901554,0.869096106,11.74865753,2.326388017,0.93372398,2.704239123,4.38299142,1.803544999,1.004375125,0.140967789,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691316452,3.431738913,28.71740714,8.867368033,6.27302031,9.990898028,20.55662075,7.288983235,8.007985494,1.289548769,1.643201451,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.738867285,4.639785482,1.180010206,14.29610882,3.50990534,1.78101957,4.220876504,7.072385979,2.932730792,2.004840631,0.292698288,0.372962547,2.66E-15,3.65E-51,9.67E-109,4.94E-188,4.87E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.409035317,1.704461349,0.582939676,0.598450525,0.299215377,0.518520097,0.512568309,0.476247191,5.696436342,8.791429024,17.87507654,0.397675787,1.507335596,2.689902903,1.117151704,0.179997962,0.674659503,0.280194877,0.322129938,0.218919599,0.045698738,3.987052569,3.690291683,8.218243458,0.511989254,0.586748274,2.987733602,1.360420251,0.346923927,0.636354442,0.289754572,0.397779233,0.325459557,0.16928563,4.695077779,5.573051905,11.67822741,0.454531663,0.89252442,3.39241501,1.690890645,0.573631075,0.599691171,0.298905702,0.513451681,0.504376318,0.461220994,5.656936731,8.652144896,17.59954581,0.399536756,1.479048993,3.115148846,1.464478904,0.418315533,0.623286154,0.293016311,0.432596856,0.377539683,0.245848303,4.997943284,6.477799193,13.38412713,0.434929231,1.055984842,3.460708812,1.746652595,0.611879594,0.594701063,0.300151273,0.534438361,0.538463761,0.5244895,5.819241002,9.230934212,18.74877689,0.392051595,1.597391623,3.402482445,1.696238688,0.573949136,0.599802612,0.29901944,0.516598301,0.507803524,0.461558273,5.672670269,8.697828948,17.68300209,0.399703918,1.485960099 +UMLMON0110,L,"2,3-Dimethylpentane",CCC(C)C(C)C,11260,,"Sandia, UML",[1],C7H16,PubChem,,88.5,0,1.2792,1.63635264,37.0709,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1604.188161,1631.4554,1098.934372,339.341184,36.578304,0,0,3947.642614,5029.877407,7031.587075,8276.550291,7433.630806,4245.698526,1119.0148,0,0,181.25648,180.900988,339.464772,445.008032,563.450512,493.30944,241.864704,0,0,30.31423229,39.56609758,58.49435701,72.18430316,72.14804988,48.06648287,16.00606457,0,0,4342.872585,3643.766351,7589.85513,9976.611746,13474.03246,12550.98844,6657.035473,0,0,43.33333333,50.88888889,76.11111111,106.3333333,125,96,36,0,0,45.09238923,49.11105724,33.42058669,25.89611746,13.56709101,4.713072,1.016064,0,0,151.8324082,201.1950963,146.4913974,131.3738141,91.77321982,58.96803508,31.08374443,0,0,6.971403077,7.23603952,7.07218275,7.063619556,6.95617916,6.85152,6.718464,0,0,1.165932011,1.582643903,1.218632438,1.14578259,0.890716665,0.66759004,0.444612905,0,0,167.033561,145.7506541,158.1219819,158.3589166,166.3460797,174.3192839,184.917652,0,0,1.666666667,2.035555556,1.585648148,1.687830688,1.543209877,1.333333333,1,0,0,0.035356454,-0.008760398,0.003804151,-0.009513052,-0.015444237,-0.007079366,0.019314675,0,0,670.5194345,-58.02572029,75.2185263,-320.9323789,-375.3762646,-68.77122405,412.6273443,0,0,1246.859521,-107.9013047,139.8720616,-596.7874628,-698.0281931,-127.8830278,767.2981665,0,0,0.131350154,-0.01136684,0.014734793,-0.06286845,-0.073533633,-0.013471811,0.080830864,0,0,5.574042193,-0.482369036,0.625293195,-2.667917631,-3.1205108,-0.571696635,3.430179811,0,0,30.27828566,-2.620236259,3.396602558,-14.49217091,-16.95066419,-3.105465196,18.63279117,0,0,3.948717949,-2.318211703,1.12886259,-0.08086785,-0.917159763,-1.704142012,1.917159763,0,0,0.001359864,-3.50E-04,7.93E-05,-1.51E-04,-1.91E-04,-9.83E-05,5.37E-04,0,0,25.78920902,-2.321028812,1.567052631,-5.094164744,-4.634274872,-0.95515589,11.46187067,0,0,47.95613541,-4.316052187,2.914001283,-9.472816871,-8.617632014,-1.776153163,21.31383796,0,0,0.005051929,-4.55E-04,3.07E-04,-9.98E-04,-9.08E-04,-1.87E-04,0.002245302,0,0,0.214386238,-0.019294761,0.013026942,-0.042347899,-0.038524825,-0.007940231,0.095282773,0,0,1.164549448,-0.10480945,0.070762553,-0.230034459,-0.209267459,-0.043131461,0.517577533,0,0,0.151873767,-0.092728468,0.023517971,-0.001283617,-0.01132296,-0.023668639,0.053254438,0,0,-0.257684617,0.058280223,-0.111041158,-0.140212289,-0.072304702,0.394538657,0,0,-0.09,0.060763889,-0.197530864,-0.179698217,-0.037037037,0.444444444,0,0,-0.09,0.060763889,-0.197530864,-0.179698217,-0.037037037,0.444444444,0,0,-0.09,0.060763889,-0.197530864,-0.179698217,-0.037037037,0.444444444,0,0,-0.09,0.060763889,-0.197530864,-0.179698217,-0.037037037,0.444444444,0,0,-0.09,0.060763889,-0.197530864,-0.179698217,-0.037037037,0.444444444,0,0,-0.610562771,0.154852092,-0.008451866,-0.074555075,-0.155844156,0.350649351,0,0,1.79331324,0.958682833,1.257129627,1.145383691,0.863543717,0,0,0,1.625,1.128472222,1.36133157,1.114540466,0.752314815,0,0,0,1.625,1.128472222,1.36133157,1.114540466,0.752314815,0,0,0,1.625,1.128472222,1.36133157,1.114540466,0.752314815,0,0,0,1.625,1.128472222,1.36133157,1.114540466,0.752314815,0,0,0,1.625,1.128472222,1.36133157,1.114540466,0.752314815,0,0,0,2.222943723,0.64484127,1.105442177,1.14638448,1.055194805,0,0,0,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,47.4718515,23.57967575,35.53737955,47.2374765,5.904684562,23.57967575,-0.3125,3.33E-16,4.16E-17,-28.51055062,3000010.151,375001.2689,11.93130098,0,11.89,12.11011416,-0.163300419,0.057616875,6.064293842,8.899505149,7,25,25,25,7,0,0,0,0,0,19.677726,3.591951482,3.112599877,2.66223033,2.333552793,2.333552793,1.72757817,1.162837791,0.754694535,1.955119619,1.667247237,1.416069281,1.249629723,1.249629723,0.766521467,0.440344289,0.263051868,3.615591378,3.150713835,2.717732252,2.405454588,2.405454588,1.811000298,1.269690916,0.891155794,1.900329579,1.58857667,1.316029648,1.134540686,1.134540686,0.639289243,0.290000277,0.096175644,3.720996265,3.318028628,2.955102187,2.704236987,2.704236987,2.155018735,1.702702127,1.421438811,1.742324782,1.351217995,1.000891147,0.76031856,0.76031856,0.218931367,0.218324093,0.485265005,3.633084654,3.178805544,2.758321103,2.457539916,2.457539916,1.871324488,1.346550641,0.987848484,1.865714252,1.537907807,1.250496515,1.058262671,1.058262671,0.55445731,0.188893887,0.01719833,3.77319421,3.398793114,3.065768217,2.838982085,2.838982085,2.308177628,1.891182114,1.642628118,1.694062871,1.275766962,0.896165167,0.631337262,0.631337262,0.071596323,0.40108138,0.702635479,3.585679854,3.228626935,2.873197549,2.612600818,2.612600818,1.920880507,1.392442227,1.076301453,1.901729854,1.471882946,1.122645664,0.898315104,0.898315104,0.472596472,0.101567168,0.136150722,0,0,0,0,0,5,0,3,0,0,0,0,0,0,0,0,0,0,0,0.859116756,0,0.384900179,0,0.859116756,0,0.384900179,0,1.821367205,1.539600718,0.962250449,1.821367205,1.539600718,0.962250449,6.732050808,3.553418013,3.347150628,2.103133692,0.769800359,0,0,0,0.841506351,0.507631145,0.371905625,0.262891712,0.19245009,0,0,0,6.732050808,3.553418013,3.347150628,2.103133692,0.769800359,0,0,0,0.841506351,0.507631145,0.371905625,0.262891712,0.19245009,0,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,2.9345,38.84,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,43,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,11.44444444,0,0,0,0,0,2.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.282407407,0,0,0,0,0,0.842592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.314814815,0,0,0,0,0,0.87037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,1.75,0.2,2.314814815,0.2,0.842592593,6.030111111,0.490740741,0.314814815,2.888888889,0.490740741,0.314814815,2.888888889,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.625,0.375,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.55523,1.1944,9.55523,0,0,3.5534,0.44417,3.5534,0,0,0.3606,0.04508,0.3606,0.04508,0,7,0,0,0,0,0,0,1,0.89049164,1.184163641,1.740136375,1.77301149,1.902043713,1.574415253,23.15278265,30.78825467,45.24354576,46.09829873,49.45313654,40.93479657,0.189448582,0.251926141,0.370207147,0.377201197,0.404652294,0.334950632,3.809948078,3.516276077,2.960303343,2.927428228,2.798396005,3.126024465,0.191756937,0.254995761,0.374717972,0.381797243,0.40958282,0.339031871,6.648700044,10.17276405,11.8977875,11.12758867,11.59979807,6.153459083,31.72521615,26.80381852,26.16837625,27.36150411,22.46306766,17.79661485,8,3.111111111,2.8125,8,0,5,2.34,1.2358,3.221970075,0,8.480997324,0,0,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.139,0.124,0.01,-0.005,3.082,9,8,4,0,0,0,0,0,0,36,2.079441542,2.302585093,2.197224577,1.609437912,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,7,1,0,2,4,1,2.5,1.333333333,0.5,0,0,0,0,0,0,0,0.357142857,0.148148148,0.0625,0,0,0,0,0,0,0,0.567791005,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,0,146.9243357,4,3.496507561,4.204692619,4.976733742,5.713732806,6.487684018,7.229113878,8.004031508,8.746239288,9.521421538,73.38015696,2.708050201,0,3.931825633,0,5.332718793,0,6.801283034,0,8.297792626,8.554681636,114.1408506,4.390032714,14.33508904,1.79188613,0,0,0,65,8,4.709,32,1.2278,2.116269588,2.915232297,3.514234478,4.183463302,4.602106348,0,0,0,0,71.2221278,80.91086417,83.76920885,52.57707077,20.23817261,4.676034585,0,0,0,0,272.5498825,338.9957227,405.2777769,342.3104382,250.6217732,143.0506976,0,0,0,0,8.919363223,15.03189788,20.63719263,24.51392231,28.68184089,30.91908583,0,0,0,0,2.081648384,2.755510686,3.472185601,3.268709371,2.824274031,2.046155872,0,0,0,0,176.77647,329.9425416,458.4896421,579.3239784,727.7641558,851.0107003,0,0,0,0,2.542551111,3.495429444,5.046591668,5.593293361,5.624944824,4.602106348,0,0,0,0,0.4321989,0.579653059,0.736653075,0.706441499,0.6267345,0.47125569,0,0,0,0,374.0838362,163.4194675,8.966252161,105.4473283,-46.06493138,-6.117182888,268.6365079,209.4843989,15.08343505,0.780103284,0.340790087,0.018697955,0.219896716,-0.096062435,-0.012756591,179.3848576,78.36472757,4.299597341,50.56528016,-22.08957019,-2.933379834,0.06890302,0.142648544,1.012119214,6.814392482,479.5311646,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,795.6535896,28.2073322,9.266335254,1.229211372,1.011517918,455.1651294,307.5635354,187.0005608,1.479906026,2.434030826,1.644719856,4.043186758,3.22022378,6.424248771,0.99496967,5.020218391,6.682925857,3.075208294,30.0765073,6.811684238,3.739997043,10.36730004,22.56842953,7.993492681,6.855421146,1.605937463,1.126710556,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421311494,6.642958761,0.181761173,10.80093783,2.032005543,0.169641049,0.845166273,1.149881212,1.08390685,0.085428216,0.011311817,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.360045288,6.651073579,0.63703648,13.43827702,2.371957712,0.64255922,2.347647934,4.12185993,1.708023462,0.59858162,0.117869469,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.7386762,6.680463775,2.850195102,28.43755888,6.294192446,3.430904925,9.628283833,20.76192645,7.292333973,6.133633302,1.430862103,1.00387882,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.004456949,6.656657009,0.989753637,15.63389782,2.794071409,1.043175107,3.510052593,6.577720205,2.369921916,1.208794159,0.256025607,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.062642864,6.692059238,3.962693228,36.66585554,8.983061505,4.987201836,13.28075925,29.8194448,10.90539623,9.876831019,2.342105377,1.643201455,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.09636808,5.258962225,1.301760281,18.62681102,3.769539692,1.823588774,5.347271606,10.64121537,3.94758552,2.396269649,0.524392281,0.367905488,2.62E-15,3.60E-51,9.54E-109,4.88E-188,4.81E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.201630821,2.138835353,0.5775025,0.541001651,0.361413767,0.489947275,0.527787822,0.486640039,5.917968674,9.931893753,19.80446163,0.353623127,1.504375135,2.521880782,1.465779915,0.173071123,0.606114715,0.352288967,0.303987654,0.247746037,0.043959465,4.16073182,4.386671113,9.187164181,0.437605523,0.595693156,2.802046377,1.743168211,0.339779506,0.573602818,0.356841416,0.37528178,0.350468208,0.169000674,4.884994094,6.428808937,12.97343502,0.395666351,0.894750661,3.185793906,2.123152879,0.568081529,0.542075644,0.361263,0.485112199,0.520070339,0.470947896,5.877028313,9.779842108,19.4993327,0.355007965,1.476130434,2.922486837,1.862423109,0.411437443,0.562411752,0.358410046,0.408236629,0.400100005,0.247548071,5.19634739,7.411598135,14.84736127,0.381232697,1.055884705,3.250907452,2.187631819,0.606815509,0.537752964,0.361869882,0.505144994,0.552165008,0.537100221,6.04535478,10.41197856,20.77287695,0.349434269,1.594410223,3.193883018,2.130491979,0.568233896,0.542015103,0.361553264,0.487578843,0.523681574,0.471113904,5.892608893,9.830032499,19.58921289,0.355352551,1.482374321 +UMLMON0111,L,"2,3,4-Trimethylpentane",CC(C)C(C)C(C)C,11269,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C8H18,PubChem,,95.9,0,2.5755,6.63320025,38.6525,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1531.545633,1547.636168,1058.463172,333.2448,36.578304,0,0,3885.475125,4800.404174,6343.167377,7246.209404,6706.817662,4059.196059,1119.0148,0,0,167.819552,166.665724,296.75898,328.399136,441.719824,452.998656,241.864704,0,0,29.42500648,37.33900896,51.81309115,60.61229535,62.80715478,45.39880544,16.00606457,0,0,3973.037281,3337.521256,6671.119844,7023.782288,10209.10493,11441.48253,6657.035473,0,0,43.33333333,51.66666667,73.22222222,90.66666667,107,90,36,0,0,48.76541633,52.3287937,36.46537221,33.64426452,16.80100273,5.049163636,1.016064,0,0,161.8947969,208.713225,151.0277947,157.5262914,106.4574232,61.50297059,31.08374443,0,0,6.992481333,7.246335826,7.06569,7.139111652,7.011425778,6.863616,6.718464,0,0,1.226041937,1.623435172,1.233645027,1.317658595,0.996938965,0.687860689,0.444612905,0,0,165.54322,145.1096198,158.8361868,152.6909193,162.0492846,173.3557959,184.917652,0,0,1.805555556,2.246376812,1.743386243,1.971014493,1.698412698,1.363636364,1,0,0,0.035512751,1.14E-04,0.008014436,-0.024868276,-0.023270707,-9.91E-04,0.023245231,0,0,645.6853813,-53.80711511,201.7766817,-349.7462482,-524.6193723,-80.71067267,484.264036,0,0,1200.679538,-100.0566282,375.2123557,-650.3680833,-975.5521249,-150.0849423,900.5096538,0,0,0.126485333,-0.010540444,0.039526667,-0.068512889,-0.102769333,-0.015810667,0.094864,0,0,5.367596186,-0.447299682,1.677373808,-2.907447934,-4.361171901,-0.670949523,4.025697139,0,0,29.15686767,-2.429738973,9.111521147,-15.79330332,-23.68995498,-3.644608459,21.86765075,0,0,4.148148148,-1.929012346,2.092592593,-1.191358025,-2.25,-1.574074074,2.777777778,0,0,0.001479698,4.95E-06,1.91E-04,-5.41E-04,-3.69E-04,-1.50E-05,6.46E-04,0,0,26.90355756,-2.339439787,4.804206706,-7.603179309,-8.327291624,-1.22288898,13.45177878,0,0,50.0283141,-4.350288182,8.933627517,-14.13843659,-15.48495436,-2.274014277,25.01415705,0,0,0.005270222,-4.58E-04,9.41E-04,-0.001489411,-0.001631259,-2.40E-04,0.002635111,0,0,0.223649841,-0.019447812,0.039937472,-0.06320539,-0.069224951,-0.010165902,0.111824921,0,0,1.214869486,-0.105640825,0.21694098,-0.343332681,-0.376031031,-0.05522134,0.607434743,0,0,0.172839506,-0.083870102,0.049823633,-0.025899087,-0.035714286,-0.023849607,0.077160494,0,0,0.00334634,0.128958679,-0.365354752,-0.249629527,-0.010146883,0.436373409,0,0,-0.086956522,0.178571429,-0.282608696,-0.30952381,-0.045454545,0.5,0,0,-0.086956522,0.178571429,-0.282608696,-0.30952381,-0.045454545,0.5,0,0,-0.086956522,0.178571429,-0.282608696,-0.30952381,-0.045454545,0.5,0,0,-0.086956522,0.178571429,-0.282608696,-0.30952381,-0.045454545,0.5,0,0,-0.086956522,0.178571429,-0.282608696,-0.30952381,-0.045454545,0.5,0,0,-0.485248447,0.288265306,-0.14984472,-0.206632653,-0.137987013,0.446428571,0,0,1.367281663,1.100673576,1.726577575,1.141776942,0.708976255,0.004924526,0,0,1.5,0.924107143,1.5,1.300595238,0.784090909,0,0,0,1.5,0.924107143,1.5,1.300595238,0.784090909,0,0,0,1.5,0.924107143,1.5,1.300595238,0.784090909,0,0,0,1.5,0.924107143,1.5,1.300595238,0.784090909,0,0,0,1.5,0.924107143,1.5,1.300595238,0.784090909,0,0,0,1.982142857,0.542729592,1.299107143,1.290816327,1.008116883,0,0,0,29.9519137,14.97595685,21.1419228,29.9519137,3.743989212,14.97595777,-1.07E-14,0.093201439,0.01165018,-1.898393698,29.24729855,3.655912318,2.70062977,29.9519137,14.97595685,21.1419228,29.9519137,3.743989212,14.97595777,-1.07E-14,0.093201439,0.01165018,-1.898393698,29.24729855,3.655912318,2.70062977,29.9519137,14.97595685,21.1419228,29.9519137,3.743989212,14.97595777,-1.07E-14,0.093201439,0.01165018,-1.898393698,29.24729855,3.655912318,2.70062977,29.9519137,14.97595685,21.1419228,29.9519137,3.743989212,14.97595777,-1.07E-14,0.093201439,0.01165018,-1.898393698,29.24729855,3.655912318,2.70062977,29.9519137,14.97595685,21.1419228,29.9519137,3.743989212,14.97595777,-1.07E-14,0.093201439,0.01165018,-1.898393698,29.24729855,3.655912318,2.70062977,29.9519137,14.97595685,21.1419228,29.9519137,3.743989212,14.97595777,-1.07E-14,0.093201439,0.01165018,-1.898393698,29.24729855,3.655912318,2.70062977,36.86849545,18.35508106,26.85532019,36.74974545,4.593718182,18.35508109,-0.158333333,0.185443518,0.02318044,-1.348003945,24.71757382,3.089696728,2.566011585,0,11.89,12.11011416,-0.17134312,0.05119783,6.1625,8.955005645,7,23,22,22,6,1,1,0,0,1,17.491312,3.647315261,3.076082947,2.598503701,2.333552793,2.333552793,1.665348817,1.032963379,0.083923071,1.932787121,1.628756031,1.375964296,1.249629723,1.249629723,0.607548492,0.139465883,0.083923071,3.663785966,3.113498505,2.655823718,2.405454588,2.405454588,1.73956501,1.132120857,0.270913902,1.885422716,1.549587777,1.273175685,1.134540686,1.134540686,0.487361073,0.025591198,0.270913902,3.740825106,3.278955332,2.901102362,2.704236987,2.704236987,2.04622848,1.528057366,0.943918427,1.75713853,1.31197897,0.948392105,0.76031856,0.76031856,0.10350369,0.401518355,0.943918427,3.676162167,3.141145858,2.697759789,2.457539916,2.457539916,1.79324141,1.203223593,0.399277246,1.856231902,1.498689345,1.205754265,1.058262671,1.058262671,0.408472013,0.05472369,0.399277246,3.781180752,3.359415287,3.015361049,2.838982085,2.838982085,2.183801392,1.694727824,1.207644823,1.720574067,1.236994104,0.840211351,0.631337262,0.631337262,0.02832406,0.565548448,1.207644823,3.644982069,3.171136371,2.793847321,2.571572866,2.571572866,1.831363779,1.226325614,0.545454545,1.87413922,1.443701663,1.095476817,0.935209229,0.935209229,0.359238118,0.104900665,0.545454545,0,0,0,0,2,5,0,1,0,0,0,0,0,0,0,0,0,0,0,0.859116756,0,0.384900179,0,0.683012702,0,0.288675135,0,1.821367205,1.539600718,0.962250449,1.404700538,1.154700538,0.721687836,6.732050808,3.553418013,3.347150628,2.103133692,0.769800359,0,0,0,0.841506351,0.507631145,0.371905625,0.262891712,0.19245009,0,0,0,6.577350269,3.193375673,2.83771324,1.654700538,0.577350269,0,0,0,0.822168784,0.456196525,0.315301471,0.206837567,0.144337567,0,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,1.12E-17,1.40E-18,-31.22250001,3000010.529,375001.3161,11.93130108,43,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,4,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,1,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.976851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.777083333,1.161111111,0,0,0,0,0,0,0,0,0,0,10.96759259,0,0,0,0,0,0.722222222,0,0,2.976851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.458333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.243402778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.162037037,0,0,0,0,0,0.722222222,0,0,1.458333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.518518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290277778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.224537037,0,0,0,0,0,0.722222222,0,0,1.518518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66666667,1.833333333,0.290277778,2.224537037,0.013888889,0.722222222,4.625208333,0.611111111,0.224537037,1.935185185,0.611111111,0.224537037,1.935185185,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.625,0.375,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,8.50671,1.06334,9.55523,1.04852,0.13107,2.95453,0.36932,3.5534,0.59886,0.07486,0.3606,0.04508,0.3606,0.04508,0,7,0,0,0,0,0,0,0.75,0.918295834,1.553508855,2.468546354,2.468546354,2.56408294,1.996867188,22.03910002,37.28421252,59.2451125,59.2451125,61.53799056,47.9248125,0.200284263,0.338826949,0.538400555,0.538400555,0.559237494,0.435525304,3.666666667,3.031453646,2.116416147,2.116416147,2.020879561,2.588095313,0.200284263,0.338826949,0.538400555,0.538400555,0.559237494,0.435525304,6.73287657,14.35543282,16.1936451,16.1936451,15.45174157,6.74821942,31.59900002,21.30576563,21.74047604,21.74047604,18.36292902,17.65589011,8,3.111111111,2.8125,8,2,5,2.34,1.1928,3.221970075,0,8.480997324,0,0,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.117,0.084,0.14,0.177,3.432,9,8,4,0,0,0,0,0,0,36,2.197224577,2.63905733,2.708050201,2.197224577,0,0,0,0,0,0,3.951243719,1.416666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,6,0.857142857,0,2,4,1,2.5,1.333333333,0.5,0,0,0,0,0,0,0,0.357142857,0.148148148,0.0625,0,0,0,0,0,0,0,0.567791005,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,1.12E-17,1.40E-18,-31.22250001,3000010.529,375001.3161,11.93130108,0,144.287877,4,3.496507561,4.204692619,4.976733742,5.713732806,6.487684018,7.229113878,8.004031508,8.746239288,9.521421538,73.38015696,2.708050201,0,3.931825633,0,5.332718793,0,6.801283034,0,8.297792626,8.554681636,112.1252005,4.671883355,14.33508904,1.79188613,0,0,0,65,8,3.402,32,1.218887483,2.104074828,3.05505261,3.741536333,4.425470617,4.886048203,0,0,0,0,75.26261604,90.39738753,113.3389135,68.45571894,22.91632927,4.964537682,0,0,0,0,281.2198653,356.7759398,508.7799528,419.6517017,276.4893429,151.8766736,0,0,0,0,8.869201485,14.95495046,21.86220981,26.3034747,30.39529587,32.82673896,0,0,0,0,2.124313109,2.833588667,4.185569694,3.876644599,3.078570274,2.172400085,0,0,0,0,174.5853241,327.8624863,462.905665,600.9628904,765.5429133,903.5165614,0,0,0,0,2.820267705,3.892386618,6.175260568,6.535255246,6.086252154,4.886048203,0,0,0,0,0.440183131,0.593860529,0.880978438,0.832446531,0.681691731,0.500331336,0,0,0,0,317.584125,134.0856781,8.374240916,49.40583144,-20.85940037,-2.710400774,268.1782935,154.9450785,11.08464169,0.865375522,0.36536607,0.02281872,0.134624478,-0.056839159,-0.00738549,116.5501842,49.20809717,3.073262309,18.13144393,-7.65519043,-0.994689862,0.080587248,0.181132674,1.715010293,0.95129518,366.9899564,0,1,0,447.8132937,21.16159951,7.650661618,608.2378051,24.66247768,8.472751521,784.3677304,28.00656584,9.222314023,1.075203359,1.028380871,474.1501636,329.0889956,194.7979056,1.440796168,2.434061918,1.689386724,4.1821911,3.559932036,6.663912686,0.871921323,6.618353133,5.661225477,3.150197409,15.04192697,11.29687732,9.714754684,10.71502962,12.32977496,13.44622725,4.280124855,3.810036139,0.087700666,1.24E-05,4.38E-31,2.97E-78,3.89E-147,9.82E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555434827,5.63202176,0.122184021,6.236222877,3.02022454,0.665746808,3.278051271,1.034254248,0.674378332,0.034938186,0.051495891,6.18E-04,8.75E-08,3.08E-33,2.09E-80,2.74E-149,6.92E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,1.79300571,5.633973354,0.488118093,7.101211714,4.052094874,2.072541686,4.66307811,2.611332751,1.955115631,0.326450879,0.342995245,0.006436733,9.12E-07,3.21E-32,2.18E-79,2.85E-148,7.21E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,6.247185619,5.658019215,2.875622984,14.17298059,10.55755975,9.005017158,10.21268542,11.38052448,12.19515365,3.816814396,3.411654507,0.078139714,1.11E-05,3.90E-31,2.65E-78,3.47E-147,8.75E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,2.642559324,5.636503568,0.814188327,7.971861091,4.955687936,3.168996615,5.653351707,3.910277618,3.22809846,0.697300667,0.684345247,0.013981444,1.98E-06,6.97E-32,4.74E-79,6.20E-148,1.57E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,7.992619374,5.674707341,4.268104653,18.63378403,14.29836781,12.51945132,12.62841458,16.13707433,18.61111987,6.226526683,5.476140682,0.127903179,1.81E-05,6.38E-31,4.33E-78,5.67E-147,1.43E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,3.864505121,4.93544318,1.203042011,9.278472246,6.385170814,4.58909189,6.867618626,5.853618265,5.297580181,1.29197386,1.229002885,0.02609276,3.70E-06,1.30E-31,8.84E-79,1.16E-147,2.92E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,3.662359126,2.404396402,0.580375597,0.550968389,0.361719418,0.557967463,0.548889473,0.401463791,6.647131125,12.32675997,24.08454111,0.36903171,1.508320727,2.713775635,1.515960257,0.223169041,0.609439383,0.340442987,0.306842094,0.218286064,0.059384764,4.452904933,5.057922112,10.42893913,0.424823555,0.584512923,3.090437782,1.868879232,0.36506334,0.580431445,0.351004081,0.397642677,0.331713436,0.158895546,5.324380355,7.586119824,15.01898008,0.397153289,0.888251658,3.638866789,2.38240721,0.571534268,0.551944883,0.361364553,0.550848473,0.538903569,0.389332007,6.592808267,12.1106269,23.65821575,0.369964154,1.47908405,3.258368863,2.026163337,0.42830062,0.570359569,0.354668761,0.441909718,0.38986826,0.218694856,5.712832819,8.865355944,17.40582411,0.387542494,1.050472834,3.735909775,2.473236828,0.608054889,0.548012228,0.362793564,0.580551486,0.580742885,0.440645922,6.817201491,13.01529158,25.45079233,0.366208688,1.601940293,3.643122946,2.386794811,0.571533991,0.551866936,0.361556049,0.552115605,0.540891102,0.389313578,6.601451748,12.1416899,23.71285085,0.370134477,1.482320284 +UMLMON0112,L,"2,3,4-trimethyl-2-pentene",CC(C)C(=C(C)C)C,11270,,UML,[1],C8H16,PubChem,,80.9,0,1.2048,1.45154304,35.5192,22.457102,0,0,22,8,14,0,7,0,1,0,0,0,0,0,0,0,1280.041744,1227.247947,1624.297177,1704.94348,983.599012,302.76288,36.578304,0,0,3616.181511,4450.143542,6008.341344,6425.169835,5104.608181,3126.683726,1119.0148,0,0,160.193824,154.923828,281.590324,354.919936,385.349008,251.444736,241.864704,0,0,26.39008467,33.66236034,47.58013244,51.87000289,43.83716998,32.0604183,16.00606457,0,0,3661.858907,3057.825133,6169.464833,7691.117356,8692.784897,5893.952969,6657.035473,0,0,85.33333333,53.44444444,81.11111111,139.3333333,143,60,36,0,0,58.18371564,58.44037843,41.64864556,35.51965583,19.28625514,8.41008,1.016064,0,0,164.3718869,211.9115972,154.0600345,133.8577049,100.0903565,86.85232572,31.08374443,0,0,7.281537455,7.377325143,7.220264718,7.394165333,7.555862902,6.984576,6.718464,0,0,1.199549303,1.60296954,1.220003396,1.08062506,0.859552353,0.890567175,0.444612905,0,0,166.4481321,145.6107206,158.191406,160.2316116,170.4467627,163.7209158,184.917652,0,0,3.878787879,2.544973545,2.07977208,2.902777778,2.803921569,1.666666667,1,0,0,0.130461031,-0.055451428,-0.019467619,0.07642928,-0.065913561,-0.021087707,0.02026052,0,0,687.3645011,-46.5210804,169.5222392,-141.2197929,-480.4544085,-474.7271691,629.7179611,0,0,1066.90404,-96.33311012,158.1418275,-501.8169853,-163.6442419,-899.238788,969.4392777,0,0,1.085692364,-0.003217983,0.146198083,0.014169388,-1.021738479,-0.018888595,0.340631405,0,0,4.734521863,-0.459492824,0.259166785,-3.017685834,1.062849206,-4.022745825,3.81064756,0,0,26.12162368,-2.544279046,0.668217023,-17.74619716,8.504461302,-21.82016781,19.87715385,0,0,34.82828283,-2.386593205,1.955922865,4.071625344,-27.79889807,-2.809917355,9.553719008,0,0,0.005930047,-0.002640544,-4.99E-04,0.001592277,-0.001292423,-5.86E-04,5.63E-04,0,0,31.24384096,-2.215289543,4.346724083,-2.942079019,-9.420674677,-13.18686581,17.49216559,0,0,48.49563818,-4.587290958,4.054918654,-10.45452053,-3.208710625,-24.97885522,26.92886883,0,0,0.049349653,-1.53E-04,0.003748669,2.95E-04,-0.020034088,-5.25E-04,0.009461983,0,0,0.215205539,-0.021880611,0.006645302,-0.062868455,0.020840181,-0.11174294,0.105851321,0,0,1.187346531,-0.121156145,0.01713377,-0.369712441,0.166754143,-0.606115772,0.552143162,0,0,1.583103765,-0.113647295,0.050151868,0.084825528,-0.545076433,-0.07805326,0.265381084,0,0,-0.445282179,-0.084176352,0.268509963,-0.217944782,-0.098779934,0.094905188,0,0,-0.07090324,0.13912259,-0.094165088,-0.301521016,-0.42206289,0.559859641,0,0,-0.094591826,0.08361409,-0.215576512,-0.066164932,-0.515074266,0.555284348,0,0,-0.003105134,0.075961401,0.005981716,-0.405962082,-0.010631953,0.191733536,0,0,-0.101673083,0.030878862,-0.292132141,0.096838495,-0.519238213,0.491861508,0,0,-0.102039415,0.014430303,-0.311377034,0.140442692,-0.510479255,0.465022761,0,0,-0.071787648,0.031679457,0.053581787,-0.344308721,-0.049303944,0.167633411,0,0,1.217126887,0.824455996,1.199972138,2.025006384,0.344793426,0,0,0,1.244484016,0.866015446,1.165027378,1.387940706,1.232915086,0,0,0,1.493214171,1.039972973,1.262590524,0.888327318,1.477069947,0,0,0,0.532603912,0.514762337,1.243190562,2.638465101,0.152908877,0,0,0,1.567567372,1.115841666,1.349931886,0.709774873,1.488000309,0,0,0,1.571413854,1.128827211,1.376535642,0.68945191,1.465008044,0,0,0,0.612529002,0.547987685,1.201729263,2.585232701,0.200986079,0,0,0,31.34957175,15.79978587,23.26388749,31.53707175,3.942133968,15.79978632,0.25,1.11E-16,1.39E-17,-29.38944046,3000010.529,375001.3161,11.93130108,31.35128536,15.80027547,23.26437709,31.53823455,3.942279319,15.80027591,0.249265579,7.77E-16,9.71E-17,-27.83271234,3000010.529,375001.3161,11.93130108,32.88990299,16.24545425,23.70955587,32.59065713,4.073832141,16.24545451,-0.398994478,2.78E-16,3.47E-17,-28.65640787,3000010.529,375001.3161,11.93130108,31.35308389,15.80078935,23.26489096,31.53945499,3.942431874,15.80078979,0.2484948,8.88E-16,1.11E-16,-27.72588722,3000010.529,375001.3161,11.93130108,34.55936291,16.73853432,24.20263594,33.74764222,4.218455277,16.73853447,-1.082294264,4.44E-16,5.55E-17,-28.28040497,3000010.529,375001.3161,11.93130108,31.52931186,15.85122303,23.31532464,31.6591625,3.957395313,15.85122344,0.173134186,3.89E-16,4.86E-17,-28.38723008,3000010.529,375001.3161,11.93130108,39.41744517,19.73758755,29.78619567,39.67969007,4.959961258,19.73758756,0.524489796,1.11E-16,1.39E-17,-29.38944046,3000010.257,375001.2821,11.93130101,0,11.89,15.99491639,-0.298617594,0.13774251,4.743995418,7.809320895,7,21,20,20,6,1,1,0,0,1,16.262898,3.629454125,3.112599877,2.533732576,2.333552793,2.333552793,1.201591136,1.162837791,0.083923071,1.888463753,1.667247237,1.249629723,1.249629723,0.871952222,0.440344289,0.104486748,0.083923071,3.594744638,3.150713835,2.405454588,2.405454588,2.391189928,1.269690916,1.146155809,0.270913902,1.860582124,1.58857667,1.134540686,1.134540686,0.903043083,0.290000277,0.111838259,0.270913902,3.718807297,3.318028628,2.704236987,2.704236987,2.695862218,1.702702127,1.631650732,0.943918427,1.694972139,1.351217995,0.76031856,0.76031856,0.5649586,0.218324093,0.432110128,0.943918427,3.595503091,3.178805544,2.457539916,2.457539916,2.365706617,1.346550641,1.160732497,0.399277246,1.845727081,1.537907807,1.058262671,1.058262671,0.922689895,0.188893887,0.074731216,0.399277246,3.749922829,3.398793114,2.838982085,2.838982085,2.72763446,1.891182114,1.765166809,1.207644823,1.66093799,1.275766962,0.631337262,0.631337262,0.520658754,0.40108138,0.563548365,1.207644823,4.7120482,3.311317527,3.222481501,2.606496142,2.606496142,1.726993577,1.388011031,0.567567568,1.769119892,1.477602749,0.903793439,0.903793439,0.512295614,0.105862756,0.477002149,0.567567568,0,0,0,1,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0.859116756,0,0.384900179,0,0.645391651,0,0.136082763,0,1.821367205,1.539600718,0.962250449,0.841201121,0.938832194,0.438832194,6.732050808,3.553418013,3.347150628,2.103133692,0.769800359,0,0,0,0.841506351,0.507631145,0.371905625,0.262891712,0.19245009,0,0,0,6.062948829,3.090875491,2.711770004,1.138071187,0.666666667,0,0,0,0.757868604,0.441553642,0.301307778,0.142258898,0.166666667,0,0,0,11.50759373,21.54552076,20.42745098,20.72,13.07012096,169.3523066,0.523072442,0.979341853,0.928520499,0.941818182,0.594096407,7.697832118,1.8675,34.683,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,43,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,2,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,2,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84259259,0.351851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.026388889,0.802777778,0,0,0,0,0,0,0,0,0,0,7.731481481,0,0,0,0,0,0.407407407,0,0,0.351851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84259259,0.351851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305902778,0.401388889,0,0,0,0,0,0,0,0,0,0,1.93287037,0,0,0,0,0,0.203703704,0,0,0.351851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84259259,0.351851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,1.93287037,0,0,0,0,0,0.203703704,0,0,0.351851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.33333333,2.416666667,0.409722222,10.84259259,0.263888889,0.203703704,3.463537037,1.314814815,3.842592593,7.685185185,1.314814815,3.842592593,7.685185185,3.83333,0.47917,0,0.02083,0.4803,0.79583,0.42308,0.4803,0.79583,0.05723,0,-0.05723,0,0.60209,0.1122,0,0.6087,0.3913,0,5.25,0.65625,3.75,0.46875,1.5,0.1875,-2.25,-0.28125,0,0,7.36964,0.9212,9.55523,2.1856,0.2732,2.91328,0.36416,3.5534,0.64012,0.08002,0.3606,0.04508,0.3606,0.04508,0,7.01,1,1,1,1,0,0,0.857142857,1.143320102,1.582023941,1.958542982,1.958542982,1.755841545,1.238646324,25.15304225,34.8045267,43.0879456,43.0879456,38.62851398,27.25021913,0.256382472,0.354759099,0.439191168,0.439191168,0.393736623,0.277758789,3.316111517,2.877407678,2.500888637,2.500888637,2.703590074,3.220785295,0.256382472,0.354759099,0.439191168,0.439191168,0.393736623,0.277758789,9.968326343,15.23277241,15.61223772,15.61223772,13.17982048,6.163702894,29.50877429,23.15322134,23.6965962,23.6965962,22.48038757,17.08485067,8,3.111111111,2.8125,8,1,5,2.12,1.1106,1.889881575,0,6.603854498,0,0,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.455,0.443,0.52,0.149,3.431,9,8,4,0,0,0,0,0,0,36,2.197224577,2.48490665,2.564949357,1.609437912,0,0,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,2,4,1,2.5,1.333333333,0.5,0,0,0,0,0,0,0,0.357142857,0.148148148,0.0625,0,0,0,0,0,0,0,0.567791005,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,17.07,135.7821191,4,3.496507561,4.204692619,4.976733742,5.713732806,6.487684018,7.229113878,8.004031508,8.746239288,9.521421538,73.38015696,2.708050201,0,3.931825633,0,5.332718793,0,6.801283034,0,8.297792626,8.554681636,114.1044651,5.186566594,14.33508904,1.79188613,2.406694893,2.406694893,0,65,8,1.277,32,1.233333333,2.12644595,2.930455297,3.55850591,4.383318477,5.013506067,0,0,0,0,82.62061363,100.5235755,111.999976,77.38703648,39.08713088,5.094043029,0,0,0,0,286.274389,357.837331,412.1731765,382.7406147,397.4686875,155.8385413,0,0,0,0,9.129617831,15.45518486,21.75163435,26.84860625,30.6956298,33.68306003,0,0,0,0,2.113145198,2.767802116,3.279022434,3.235517791,4.037719378,2.229069496,0,0,0,0,177.4424221,331.7580809,466.6291139,601.2046047,711.2679421,927.0857704,0,0,0,0,3.177396825,4.684925862,8.733800724,9.931679622,7.505969621,5.013506067,0,0,0,0,0.449709286,0.606318464,0.759887264,0.763780758,0.878528609,0.513383021,0,0,0,0,355.5454616,185.5738217,8.658912586,120.8340883,-63.06828797,-16.39126803,234.7113733,248.6421097,25.05018061,0.746349128,0.389550353,0.018176499,0.253650872,-0.132390838,-0.034408001,169.374587,88.40357366,4.12492888,57.5628886,-30.04444264,-7.808464884,0.263764664,0.572085324,0.447932322,22.727815,436.6515337,39.72801619,0.916604279,0.083395721,506.3771674,22.50282577,7.970606549,641.9956726,25.33763352,8.626686854,907.0552751,30.11735837,9.680057071,1.355712503,1.355712503,418.889264,347.1166623,165.1969481,1.206767953,2.535696142,2.101229268,3.986251514,3.222561645,6.375709831,0.978460161,3.917822784,5.778211376,6.366004739,11.46296751,7.128137677,8.633714945,6.747336255,9.202302243,3.60173904,5.376140809,1.086526992,0.399187458,1.78E-17,1.64E-55,3.07E-115,1.15E-196,8.51E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,0.345289482,5.778030905,0.36253308,7.478337454,1.881248453,1.921248578,0.535491702,1.287192243,0.399221762,0.219995297,0.007652502,0.00281151,1.26E-19,1.16E-57,2.16E-117,8.10E-199,6.00E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,1.067258616,5.777925597,1.009365533,7.890829442,2.300298651,2.254409259,1.270736656,2.50794518,0.802405018,0.862507306,0.079744943,0.029298101,1.31E-18,1.21E-56,2.26E-116,8.44E-198,6.25E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,3.70321596,5.778250059,6.430116189,11.44458557,6.881273871,8.903708181,6.369941263,8.588436718,3.317057976,4.915452455,0.968075991,0.355668838,1.59E-17,1.46E-55,2.74E-115,1.03E-196,7.58E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,1.565367409,5.777900666,1.463859685,8.311942489,2.704216558,2.6807737,1.885121254,3.460570264,1.1535619,1.42529941,0.173216664,0.06363939,2.85E-18,2.62E-56,4.90E-116,1.83E-197,1.36E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,4.731361413,5.778365617,8.880928319,12.57492418,9.511782608,11.40677953,9.116395247,11.67493531,4.7564122,7.246536301,1.584597493,0.582177391,2.60E-17,2.40E-55,4.48E-115,1.68E-196,1.24E-299,0,0,0,0,0,0,0,0,0,0,0,0,0,2.445479817,4.680018032,5.856886947,11.95720215,4.993846791,10.88927957,3.651610401,4.712659642,1.896079701,2.494973409,0.350006154,0.128591431,5.75E-18,5.29E-56,9.90E-116,3.71E-197,2.74E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,3.870060146,1.311878374,0.923395089,0.633881847,0.214874151,0.607336207,0.463866961,0.473706442,6.10533361,9.862024794,20.65547979,0.450822771,1.54490961,2.632773109,1.109764802,0.409340074,0.634116204,0.267292248,0.280836839,0.33194163,0.09314276,4.151877984,4.453729672,9.801600672,0.451174307,0.70592123,3.24126412,1.071532106,0.629525321,0.655818139,0.216807445,0.425803296,0.309467559,0.220273026,4.942321547,6.188132997,13.31687063,0.483727209,0.95554388,3.780893008,1.338834403,0.896212682,0.628479165,0.222547828,0.579661373,0.483124832,0.446236965,6.015940094,9.650354271,20.20291367,0.442718748,1.509023169,3.49821373,1.088487692,0.730340388,0.657924811,0.204716783,0.496064456,0.319339396,0.296442581,5.317041809,7.157615884,15.2556205,0.486887217,1.111846433,3.932370537,1.354724209,0.957022812,0.629772021,0.216960074,0.62708767,0.494661581,0.508797924,6.244117559,10.38714785,21.72959157,0.444658032,1.630547175,3.783274385,1.345865426,0.896571964,0.627855186,0.223353767,0.580424399,0.488212452,0.446562518,6.025711775,9.690421147,20.2812785,0.441782778,1.51519937 +UMLMON0113,L,"2,4-dimethyl-3-pentanone",CC(C)C(=O)C(C)C,11271,[11] has RON of 99; opting for [11]/co-opt vals,"Sandia, UML","[9], [11]",C7H14O,PubChem,,92.5,0,-0.2066,0.04268356,34.6912,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1483.122152,1564.909256,1089.789796,460.407193,103.124448,9.144576,0,3947.642614,5029.877407,6806.459662,7774.63306,7153.877106,4470.825939,1620.932031,279.7536999,0,181.25648,180.900988,339.441056,442.613024,502.984336,493.333156,244.259712,60.466176,0,30.31423229,39.56609758,57.48793273,68.17071473,68.14653374,49.07290716,20.01965301,4.001516144,0,4342.872585,3643.766351,7584.388218,10167.38237,11809.77359,12556.45535,6466.264847,1664.258868,0,42.05555556,49.77777778,74.66666667,97.91666667,113,94,42,9,0,45.09238923,49.11105724,30.89837817,24.83982946,15.13596939,6.394544347,2.864568,1.016064,0,151.8324082,201.1950963,141.801243,123.406874,99.35940425,62.09480471,45.02588975,31.08374443,0,6.971403077,7.23603952,7.071688667,7.025603556,6.985893556,6.851849389,6.784992,6.718464,0,1.165932011,1.582643903,1.197665265,1.082074837,0.946479635,0.681568155,0.556101472,0.444612905,0,167.033561,145.7506541,158.0080879,161.3870218,164.0246332,174.3952133,179.618468,184.917652,0,1.617521368,1.991111111,1.555555556,1.554232804,1.569444444,1.305555556,1.166666667,1,0,0.036047443,-0.007598785,-0.004383136,0.001712488,-0.021532739,0.001156633,0.007892153,0.004729664,0,670.5194345,-58.02572029,-45.8474827,-97.42590073,-478.5331007,52.29478495,189.1208661,103.1568361,0,1246.859521,-107.9013047,-85.25535183,-181.1676226,-889.8527348,97.24438569,351.6783263,191.8245416,0,0.131350154,-0.01136684,-0.008981207,-0.019085065,-0.093741349,0.010244189,0.037047479,0.020207716,0,5.574042193,-0.482369036,-0.38113109,-0.809903567,-3.978055753,0.43472765,1.572165747,0.857544953,0,30.27828566,-2.620236259,-2.070310131,-4.399409027,-21.60886199,2.361447493,8.540029288,4.658197794,0,3.487179487,-1.641518738,-0.284023669,1.370808679,-1.861932939,-0.156804734,0.402366864,0.427514793,0,0.00138644,-3.04E-04,-9.13E-05,2.72E-05,-2.99E-04,1.61E-05,2.19E-04,5.26E-04,0,25.78920902,-2.321028812,-0.95515589,-1.546442869,-6.646293065,0.726316458,5.253357393,11.46187067,0,47.95613541,-4.316052187,-1.776153163,-2.87567655,-12.35906576,1.350616468,9.768842398,21.31383796,0,0.005051929,-4.55E-04,-1.87E-04,-3.03E-04,-0.001301963,1.42E-04,0.001029097,0.002245302,0,0.214386238,-0.019294761,-0.007940231,-0.012855612,-0.055250774,0.006037884,0.043671271,0.095282773,0,1.164549448,-0.10480945,-0.043131461,-0.069831889,-0.300123083,0.032797882,0.237223036,0.517577533,0,0.134122288,-0.06566075,-0.00591716,0.021758868,-0.02586018,-0.002177844,0.011176857,0.047501644,0,-0.219231549,-0.065863163,0.01960586,-0.215707704,0.01158676,0.158121848,0.379041424,0,-0.09,-0.037037037,-0.059964727,-0.257716049,0.02816358,0.203703704,0.444444444,0,-0.09,-0.037037037,-0.059964727,-0.257716049,0.02816358,0.203703704,0.444444444,0,-0.09,-0.037037037,-0.059964727,-0.257716049,0.02816358,0.203703704,0.444444444,0,-0.09,-0.037037037,-0.059964727,-0.257716049,0.02816358,0.203703704,0.444444444,0,-0.09,-0.037037037,-0.059964727,-0.257716049,0.02816358,0.203703704,0.444444444,0,-0.489558824,-0.044117647,0.162231559,-0.192810458,-0.016237745,0.083333333,0.354166667,0,1.755319385,1.112007843,1.012429161,1.291865768,0.761583031,0.447480228,0,0,1.625,1.222511574,1.14638448,1.253858025,0.689621914,0.376157407,0,0,1.625,1.222511574,1.14638448,1.253858025,0.689621914,0.376157407,0,0,1.625,1.222511574,1.14638448,1.253858025,0.689621914,0.376157407,0,0,1.625,1.222511574,1.14638448,1.253858025,0.689621914,0.376157407,0,0,1.625,1.222511574,1.14638448,1.253858025,0.689621914,0.376157407,0,0,2.102941176,0.871246936,0.749153828,1.377399918,0.871246936,0.597426471,0,0,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,46.76293868,23.25299712,34.91578997,46.57023035,5.821278793,23.25299712,-0.256944444,3.89E-16,4.86E-17,-28.38723008,26.40131945,3.300164931,2.61873119,0,11.89,12.11011416,-0.169035856,0.051418417,5.512550154,8.586130947,7,25,25,25,7,0,0,0,0,0,19.677726,3.574523796,3.101489964,2.723753363,2.575306449,1.92423326,1.744095946,1.288136135,0.801764835,1.948704756,1.669661871,1.453341321,1.374341706,0.942319753,0.843000671,0.542599084,0.287950024,3.599119055,3.141133145,2.777312368,2.635344871,2.005548036,1.833272234,1.394339446,0.935634121,1.892730457,1.589990306,1.356067346,1.270102422,0.816906761,0.709742075,0.3960242,0.122828495,3.708371245,3.313949361,3.006450737,2.889784995,2.341449071,2.199235012,1.821569341,1.456885847,1.730395931,1.348016717,1.050703404,0.938446788,0.404011052,0.266914215,0.10092888,0.451211033,3.617297672,3.170283105,2.816477119,2.679119236,2.064367535,1.897651895,1.470513059,1.030547104,1.857286538,1.53855301,1.292438027,1.201566386,0.733390689,0.620692447,0.297377104,0.01073456,3.762224513,3.396740649,3.113447808,3.007175732,2.4914679,2.361262737,2.006377226,1.674868587,1.680519263,1.270473056,0.949523501,0.826955631,0.259873085,0.110752411,0.280447435,0.665242944,3.580148549,3.226731387,2.942340846,2.830174566,2.169152693,1.988854382,1.539160102,1.129587959,1.881570033,1.467991507,1.155748079,1.042203552,0.603807729,0.498450375,0.192759037,0.11930666,0,0,0,0,0,4,2,2,0,0,0,0,0,0,0,0,0,0,0,0.471404521,0,0.166666667,0,0.471404521,0,0.166666667,0,1.276142375,1.138071187,0.666666667,1.276142375,1.138071187,0.666666667,6.568914101,3.718744015,2.771064349,2.259305623,0.804737854,0.166666667,0,0,0.821114263,0.531249145,0.346383044,0.282413203,0.201184464,0.166666667,0,0,6.568914101,3.718744015,2.771064349,2.259305623,0.804737854,0.166666667,0,0,0.821114263,0.531249145,0.346383044,0.282413203,0.201184464,0.166666667,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,52,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.176574074,0,2.656759259,0,0,0,1.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.260740741,0,1.32837963,0,0,0,0.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.327546296,0,1.32837963,0,0,0,0.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.708333333,0.2,2.327546296,0.2,0.916666667,6.02400463,0.416666667,0.327546296,2.353148148,0.416666667,0.327546296,2.353148148,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0.25,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.0653,1.13316,9.0653,0,0,3.71873,0.46484,3.71873,0,0,0.19527,0.02441,0.19527,0.02441,0,7,0,0,0,0,0,0,1,0.89049164,1.352030102,2.353533949,2.81507241,2.81507241,2.376577047,23.15278265,35.15278265,61.19188266,73.19188266,73.19188266,61.79100323,0.189448582,0.287639068,0.500705059,0.598895546,0.598895546,0.505607388,3.809948078,3.348409616,2.34690577,1.885367308,1.885367308,2.323862671,0.191756937,0.291143835,0.50680595,0.606192848,0.606192848,0.511768011,6.648700044,12.18716158,14.88760607,15.35275608,15.35275608,10.09081173,31.72521615,23.41346491,22.07229718,21.75251411,21.75251411,21.47599693,8,3.9375,2.8125,8,0,6,2.34,1.2358,1.668817935,3.614408014,4.298279727,0,0.333333333,2.828427125,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,3.31,8,8,4,1,0,0,0,0,0,36,2.079441542,2.197224577,2.197224577,1.609437912,0.693147181,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,2,1.333333333,0.375,0.08,0,0,0,0,0,0,0.285714286,0.166666667,0.046875,0.02,0,0,0,0,0,0,0.519255952,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,0,146.9243357,4,3.433987204,4.143134726,4.875197323,5.609471795,6.34738921,7.085901464,7.825245291,8.564649133,9.304285985,72.18926213,2.708050201,0,3.850147602,0,5.209486153,0,6.642486801,0,8.103191752,8.371242136,114.1408506,4.390032714,14.49160575,1.811450719,0,0,0,68,8,4.77,30,1.2278,2.116942009,2.891585598,3.540350992,4.221191693,5.420671653,7.058444873,0,0,0,71.2221278,74.49919381,80.64635164,63.03810421,33.48256727,17.83799085,7.171831732,0,0,0,272.5498825,326.3003669,381.1705458,380.9895487,291.396222,261.494311,219.4028965,0,0,0,8.919363223,15.03016952,20.36679815,24.80772697,29.03266459,36.86235503,47.42190778,0,0,0,2.081648384,2.695254639,3.274776271,3.536013851,3.088492415,3.153772732,3.138275679,0,0,0,176.77647,330.1832551,463.000294,575.1636384,727.6283361,967.0302533,1305.231053,0,0,0,2.496728889,3.403382069,4.613872086,5.717334224,5.765481153,6.532403224,7.058444873,0,0,0,0.4321989,0.568411947,0.695786993,0.760399123,0.679567967,0.708051041,0.722784755,0,0,0,386.3836951,170.7411405,9.288901912,130.1659684,-57.5197302,-7.813037154,256.2177267,228.2608707,17.10193907,0.748008802,0.330541577,0.017982592,0.251991198,-0.111353727,-0.015125433,199.5863677,88.19627866,4.798179157,67.23718717,-29.71179728,-4.035821712,0.067587796,0.146934612,0.985323937,8.373062457,516.5496635,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,758.5650936,27.54206045,9.120058373,1.68402738,1.526290971,549.2896212,455.6079474,134.9400024,1.205619051,4.070621102,3.376374236,4.21846949,4.466158665,7.63628977,0.709811572,5.020209962,6.639704814,2.933180332,28.20191537,8.625102626,7.28639905,9.679626432,15.96386685,9.217751689,3.704484017,3.632112305,0.073937924,1.544812114,1.267677695,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327102,0.182778582,8.839515583,2.040039688,0.190002846,0.810203283,0.829060378,2.140742745,0.063235935,0.028036494,0.008212694,0.127880219,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.63935305,0.631796352,11.49035953,2.492879758,0.890986114,2.219914354,2.932381448,2.972162498,0.367320732,0.272224788,0.01265383,0.413976048,0.093040371,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639663595,2.725040067,26.55615867,7.90665325,6.58750699,8.994882664,14.68850519,8.567590592,3.326205067,3.237603876,0.066739291,1.456961205,1.129478003,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.639386051,0.973406227,13.69650368,3.068389154,1.59414999,3.306621036,4.669013865,3.724962619,0.706464541,0.585783105,0.018367329,0.611301281,0.202096118,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.639877975,3.748977542,34.81816638,11.64321554,10.17435144,12.37588682,21.08201557,11.87129252,5.281485259,5.290215196,0.104196175,1.871341804,1.848788779,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.121827968,5.561207718,1.376810661,16.69134363,4.67071267,3.109639664,5.139406057,7.680775806,5.414712886,1.352297888,1.254115694,0.033401165,1.050802293,0.434373797,1.23E-06,2.74E-33,1.17E-81,9.71E-152,1.55E-243,0,0,0,0,0,0,0,0,0,0,0,4.668059509,1.571847047,0.590241609,0.683449231,0.230133668,0.48986518,0.456156105,0.447267179,6.830148166,11.02052804,22.18155958,0.525173846,1.393288464,3.810735526,1.001383039,0.180658046,0.763249755,0.200566362,0.325425964,0.183089664,0.042367796,4.99277661,4.685353856,10.36752264,0.644874633,0.550883424,4.163911407,1.236642579,0.349513196,0.724150045,0.215065762,0.389038979,0.280601997,0.157819768,5.750067181,7.036835022,14.58664006,0.586225067,0.827460743,4.648069591,1.55856854,0.580702684,0.684814527,0.229628743,0.48564238,0.448379156,0.433029953,6.787340815,10.84854646,21.84269207,0.527221791,1.367051489,4.315818379,1.337716995,0.422083646,0.710350396,0.220177893,0.418176866,0.328990885,0.229709952,6.07561902,8.159608416,16.67206135,0.565525595,0.976877702,4.730262571,1.613159794,0.619921054,0.679309103,0.231664546,0.503124383,0.48078745,0.493017846,6.963343419,11.56309047,23.2568465,0.518963654,1.476929679,4.662997142,1.563792496,0.581220542,0.684928051,0.229698907,0.488862471,0.451653254,0.433421443,6.808010179,10.91109798,21.95734507,0.527392076,1.373937167 +UMLMON0114,L,"3,4-dimethylhexane",CCC(C)C(C)CC,11412,,"Sandia, UML",[1],C8H18,PubChem,,81.7,0,-0.9841,0.96845281,23.5831,17.603516,0,0,18,6,12,0,5,0,1,0,0,0,0,0,0,0,989.481374,918.525433,1047.196341,924.136508,400.536025,90.93168,9.144576,0,0,2706.980219,3340.91352,4157.215774,3915.283615,2727.610504,1247.927098,279.7536999,0,0,131.675864,127.961068,226.90794,286.894208,243.837604,163.638144,60.466176,0,0,19.92305886,25.2786954,34.06730449,33.54359167,25.5846203,14.68429815,4.001516144,0,0,3038.434891,2530.053054,4954.678529,6588.328228,5664.217717,4247.253023,1664.258868,0,0,62.27777778,43.33333333,66.25,92,75,30,9,0,0,54.97118744,54.03090782,33.78052713,23.6958079,12.1374553,3.78882,1.016064,0,0,150.3877899,196.5243247,134.1037346,100.3918876,82.65486376,51.99696242,31.08374443,0,0,7.315325778,7.527121647,7.319610968,7.356261744,7.389018303,6.818256,6.718464,0,0,1.106836603,1.486982082,1.098945306,0.860092094,0.775291524,0.611845756,0.444612905,0,0,168.8019384,148.8266503,159.8283396,168.931493,171.6429611,176.9688759,184.917652,0,0,3.459876543,2.549019608,2.137096774,2.358974359,2.272727273,1.25,1,0,0,0.220916318,-0.112108781,0.001581439,0.019267737,-0.052395812,0.0283973,0.004799957,0,0,557.7912351,-66.11605249,-82.74028647,-43.74232996,-328.6979093,106.2665152,136.1344454,0,0,815.6252945,-79.2452518,-254.7450064,-82.37876295,-291.8851641,103.7120216,196.7295164,0,0,1.059967111,-0.095141383,0.003255753,-0.18348563,-0.502407259,0.154566519,0.093228444,0,0,3.576219349,-0.265723223,-1.464103123,-0.495926169,-0.542438663,0.24299,0.737091504,0,0,19.7674611,-1.32649563,-8.520916016,-3.006162159,-1.807642676,0.993742542,3.783743387,0,0,23.75308642,-4.15877915,-1.01920439,-0.085390947,-10.90843621,2.366255144,1.929012346,0,0,0.012273129,-0.006594634,5.10E-05,4.94E-04,-0.001587752,0.001183221,5.33E-04,0,0,30.98840195,-3.889179558,-2.669041499,-1.121598204,-9.960542705,4.427771466,15.12604949,0,0,45.31251636,-4.6614854,-8.21758085,-2.112275973,-8.845004973,4.321334232,21.85883516,0,0,0.058887062,-0.005596552,1.05E-04,-0.00470476,-0.015224462,0.006440272,0.010358716,0,0,0.198678853,-0.015630778,-0.047229133,-0.012716056,-0.016437535,0.010124583,0.081899056,0,0,1.098192283,-0.078029155,-0.274868259,-0.077081081,-0.054777051,0.041405939,0.420415932,0,0,1.319615912,-0.244634068,-0.032877561,-0.002189511,-0.330558673,0.098593964,0.214334705,0,0,-0.537322982,0.004156573,0.040254165,-0.129368144,0.096407434,0.043454982,0,0,-0.12550436,-0.086130337,-0.036194129,-0.321428085,0.142884795,0.488119701,0,0,-0.102874123,-0.181353443,-0.046615729,-0.195200039,0.095367342,0.482401705,0,0,-0.095038736,0.001783487,-0.079894625,-0.258536629,0.109366496,0.175908183,0,0,-0.078673586,-0.237715954,-0.064003065,-0.082734197,0.050959542,0.412218285,0,0,-0.071052361,-0.250291559,-0.070189057,-0.049879289,0.037703724,0.382825429,0,0,-0.185382781,-0.024914493,-0.001659204,-0.250496125,0.074714137,0.162422037,0,0,1.441835455,0.730198968,1.106100284,1.603515071,0.408280036,0,0,0,1.409452341,1.137818133,1.025935174,1.293520062,0.461221426,0,0,0,1.590373361,1.337815477,0.949813871,1.011263777,0.586538643,0,0,0,1.043987109,0.822591682,1.334941952,1.713577353,0.047545343,0,0,0,1.655711089,1.428720052,0.954985373,0.877747704,0.598020254,0,0,0,1.661705788,1.443354215,0.966465797,0.854855571,0.587692542,0,0,0,1.146049896,0.842033566,1.253998081,1.70791202,0.089462058,0,0,0,20.48424608,10.36712304,15.60319102,20.65091275,3.441818791,10.367203,0.25,2.34E-16,3.90E-17,-21.5945822,3000004.229,500000.7049,8.948474554,20.48715358,10.36820958,15.60427756,20.65333063,3.442221772,10.36828944,0.249265579,2.38E-16,3.96E-17,-21.58493016,3000004.229,500000.7049,8.948474554,23.11915886,11.36008219,16.59615017,22.85316254,3.808860424,11.36010905,-0.398994478,2.64E-16,4.40E-17,-21.5223154,3000004.229,500000.7049,8.948474554,20.49020524,10.36935002,15.605418,20.65586844,3.44264474,10.36942977,0.2484948,1.17E-16,1.95E-17,-22.01042277,3000004.229,500000.7049,8.948474554,25.99373482,12.45572028,17.76488038,25.27220531,4.212034218,12.45572904,-1.082294264,0.156267879,0.026044647,-1.113710141,32.60302982,5.433838303,2.090643134,20.78962176,10.48137797,15.71744595,20.90504455,3.484174092,10.48144791,0.173134186,3.58E-16,5.96E-17,-21.33979447,3000004.229,500000.7049,8.948474554,22.67072772,11.62703053,18.19007901,23.05961661,3.843269435,11.62705582,0.583333333,2.40E-16,3.99E-17,-21.58040393,3000004.078,500000.6797,8.948474524,0,11.89,15.99491589,-0.392504821,0.065108807,4.581744683,6.855005489,5,17,17,17,5,0,0,0,0,0,13.118484,3.46179812,2.902564078,2.45020918,1.726505411,1.598026915,0.869871873,0.083923071,0.083923071,1.84282221,1.563026335,1.114906261,0.769718516,0.597364197,0.285570659,0.083923071,0.083923071,3.45159127,2.950308951,2.383199868,1.695309721,1.60664093,0.948916999,0.270913902,0.270913902,1.800499119,1.473453684,1.062477916,0.630337185,0.580486486,0.148430833,0.270913902,0.270913902,3.604345854,3.155598408,2.718673573,2.120216645,2.090117344,1.49908293,0.943918427,0.943918427,1.597651593,1.195492746,0.673894311,0.162386152,0.014647061,0.450210452,0.943918427,0.943918427,3.463006259,2.985267979,2.399098612,1.765276817,1.60015617,1.018731147,0.399277246,0.399277246,1.774751622,1.415133181,1.034276625,0.547971474,0.536857124,0.046643965,0.399277246,0.399277246,3.655397916,3.252217518,2.803978208,2.26277616,2.236498878,1.705686017,1.207644823,1.207644823,1.546046051,1.104407163,0.576574831,0.004703131,0.108076948,0.65294828,1.207644823,1.207644823,4.289730788,3.271376884,3.106652036,2.255021256,1.874277641,1.25611368,0.6,0.6,1.68962311,1.283767308,0.748289814,0.397162369,0.058615032,0.324285348,0.6,0.6,0,0,0,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.129099445,0,0,0,0.577350269,0.288675135,0,0.25819889,0.129099445,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.438777427,2.488909033,1.470320087,0.942498641,0.288675135,0,0,0,0.739796238,0.497781807,0.294064017,0.23562466,0.288675135,0,0,0,8.965765927,17.6576839,16.70196078,16.96,10.27156647,139.5813569,0.498098107,0.980982439,0.92788671,0.942222222,0.570642582,7.754519827,1.1673,26.5888,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.51E-16,4.19E-17,-21.5515951,3000004.229,500000.7049,8.948474554,29,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.602777778,0,8.666666667,0,0,0,0,0,0,0,0,0,0,0.602777778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.597222222,0,0,0,0,0,0,0,0,0,0,0,3.960648148,0,1.770833333,0,0,0,-0.064814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.602777778,0,8.666666667,0,0,0,0,0,0,0,0,0,0,0.602777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.980324074,0,0.885416667,0,0,0,-0.064814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.602777778,0,8.666666667,0,0,0,0,0,0,0,0,0,0,0.602777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.980324074,0,0.885416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,2.388888889,0.602777778,8.666666667,0.2625,-0.064814815,2.53699537,1.398148148,2.666666667,5.333333333,1.398148148,2.666666667,5.333333333,2.83333,0.47222,0,0.02778,0.47593,0.82778,0.42,0.47593,0.75238,0.05593,0,-0.05593,0.0754,0.57047,0.14382,0,0.47059,0.17647,0,2.75,0.45833,2.75,0.45833,0,0,-2.75,-0.45833,0,0,4.94825,0.82471,5.73058,0.78233,0.13039,2.52648,0.42108,2.80805,0.28157,0.04693,0.10595,0.01766,0.10595,0.01766,0,5.01,1,1,1,1,1,1,1,1.134969975,1.833605679,2.641604168,2.641604168,2.409941668,1.594402779,20.42945954,33.00490222,47.54887502,47.54887502,43.37895002,28.69925001,0.272179949,0.439721501,0.633489611,0.633489611,0.577934056,0.382357663,3.034955027,2.336319323,1.528320834,1.528320834,1.759983334,2.575522223,0.27767102,0.448592623,0.646269892,0.646269892,0.589593535,0.390071504,10.25843817,15.60956847,16.42388957,16.42388957,13.64393957,5.478475726,21.93297423,16.70416525,17.25848056,17.25848056,15.86850556,9.556976394,6,3.2,3,6,0,5,1.9,0.8718,0.25,2.309401077,1,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,2.891,5,4,1,0,0,0,0,0,0,21,1.791759469,1.791759469,1.609437912,0.693147181,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.51E-16,4.19E-17,-21.5515951,3000004.229,500000.7049,8.948474554,20.23,103.8266085,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,88.088815,4.893823056,10.6758508,1.779308466,2.382088123,2.382088123,0,31,4,1.1,20,1.216411765,2.109456663,2.837767185,3.480028973,4.481040284,5.71185753,0,0,0,0,77.15821427,80.22774842,74.88118539,50.1477063,19.3994207,5.803612809,0,0,0,0,263.9099389,303.8103253,305.2442982,319.5048824,251.2648853,177.5459197,0,0,0,0,9.180431628,15.53605194,20.96503225,25.68476229,30.6400324,38.37490919,0,0,0,0,1.941447524,2.433242608,2.556275668,2.933791437,2.887757037,2.539565568,0,0,0,0,178.6200885,333.8264647,476.7067518,588.2875059,786.0626582,1056.223283,0,0,0,0,3.153882353,4.718798422,6.88373284,7.906305299,5.81963598,5.71185753,0,0,0,0,0.425350094,0.553804064,0.606759893,0.686820346,0.643049293,0.584894211,0,0,0,0,335.4808947,193.8877494,13.30525732,157.7923733,-91.19448715,-16.65448629,177.6885214,285.0822366,29.95974361,0.680111647,0.393063565,0.0269734,0.319888353,-0.1848762,-0.033763205,165.4837573,95.6396438,6.563127761,77.83475967,-44.98380271,-8.215212879,0.363563845,0.679123554,7.648680863,17.92879904,445.8352926,47.43797544,0.903830233,0.096169767,346.0061755,18.60124124,7.020390718,470.5945044,21.69319028,7.778256915,555.2486122,23.56371389,8.219192661,1.91052409,1.91052409,293.0066545,254.5102644,67.3752271,1.151256729,4.348878173,3.777505106,3.495478908,3.220194404,6.42424645,0.994987148,3.782243497,4.176847,2.888636564,12.42258577,6.724788054,1.634169419,3.527856074,8.407094306,1.622543825,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337322539,4.3037216,0.225974352,4.241622169,0.449337384,0.036582708,0.307488076,0.333548636,0.940625909,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0.969469194,4.067497395,0.649042657,4.643085201,0.851418431,0.150455816,0.760213287,1.321857408,0.987597981,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.793087398,4.303382321,2.894917209,12.41627183,6.153641673,1.539875968,3.320056449,7.679466809,1.548172241,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.361918399,3.977740142,0.921502565,5.161585117,1.394559365,0.271715605,1.116098183,2.19617127,1.047225431,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.748236975,4.257081772,3.752865132,16.15275326,9.49149678,2.379757704,4.623916014,11.36614645,1.934951627,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.484116726,4.516875743,2.474008558,11.58835823,3.573018715,1.002994948,2.145647842,3.669080219,1.59785533,1.718839852,0.058521852,0.405615798,2.89E-15,3.97E-51,1.05E-108,5.38E-188,5.30E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.863918775,0.813898426,0.567370812,0.736659728,0.155170496,0.542823503,0.44776075,0.476338294,5.245188012,5.798894351,12.82837132,0.604989592,1.466922548,2.726589511,0.627470715,0.164383046,0.774942013,0.178337596,0.270091724,0.251639161,0.036471688,3.518443272,2.262205707,6.061884548,0.662413019,0.558202574,3.359449719,0.611606358,0.33405638,0.780339597,0.142065129,0.41011591,0.253399246,0.166307347,4.305112457,3.381217425,8.372702434,0.670509395,0.829822503,3.767049099,0.831771238,0.549414111,0.731716696,0.161564367,0.515931476,0.458152547,0.432057699,5.148234449,5.659979882,12.52970625,0.597575044,1.406141722,3.608158046,0.634527112,0.410039263,0.775493607,0.13637754,0.473158157,0.284495484,0.263479742,4.652724422,4.029141603,9.6206403,0.663240411,1.021133383,3.902262439,0.846734171,0.593473124,0.730422938,0.15849115,0.553693343,0.480906677,0.514785722,5.342469734,6.122580807,13.42599195,0.595634407,1.549385742,3.786556158,0.831517239,0.550665786,0.732587972,0.160874289,0.521285309,0.457938209,0.434156295,5.168739182,5.691601737,12.5941599,0.598881959,1.413379813 +UMLMON0115,L,3-Pentanol,CCC(CC)O,11428,Co optima database valuese measured by NREL,Sandia,,C5H12O,PubChem,,90.8,0,0.7252,0.52591504,36.0652,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1483.122152,1443.843247,1023.243652,572.328626,169.670592,18.289152,0,3947.642614,5029.877407,6806.459662,7549.505646,6651.959874,4416.199653,2122.849263,559.5073998,0,181.25648,180.900988,339.441056,442.589308,500.589328,432.890696,246.65472,120.932352,0,30.31423229,39.56609758,57.48793273,67.16429045,64.1329453,46.0778153,24.03324144,8.003032287,0,4342.872585,3643.766351,7584.388218,10161.91546,12000.54422,10897.6634,6275.494221,3328.517736,0,42.05555556,49.69444444,75.33333333,99,106.3333333,84,48,18,0,45.09238923,49.11105724,30.89837817,22.91814678,14.21171739,9.084581365,4.713072,1.016064,0,151.8324082,201.1950963,141.801243,119.833423,92.38833159,70.09840718,58.96803508,31.08374443,0,6.971403077,7.23603952,7.071688667,7.025227111,6.952629556,6.871280889,6.85152,6.718464,0,1.165932011,1.582643903,1.197665265,1.066099848,0.890735351,0.731393894,0.66759004,0.444612905,0,167.033561,145.7506541,158.0080879,161.3002454,166.6742252,172.9787841,174.3192839,184.917652,0,1.617521368,1.987777778,1.569444444,1.571428571,1.476851852,1.333333333,1.333333333,1,0,0.036023545,-0.007300622,-0.003105822,-0.006726247,-0.011367872,0.004471888,-0.003538078,0.009554982,0,670.5194345,-58.02572029,-45.8474827,-218.4919097,-255.0266225,70.20395788,-34.38561202,206.3136721,0,1246.859521,-107.9013047,-85.25535183,-406.2950361,-474.2328946,130.5472575,-63.94151388,383.6490833,0,0.131350154,-0.01136684,-0.008981207,-0.042801065,-0.049957964,0.013752473,-0.006735905,0.040415432,0,5.574042193,-0.482369036,-0.38113109,-1.816327851,-2.120041689,0.583606982,-0.285848318,1.715089906,0,30.27828566,-2.620236259,-2.070310131,-9.866321716,-11.5161001,3.170162387,-1.552732598,9.316395587,0,3.487179487,-1.724852071,0.382642998,0.018244576,-1.220907298,0.851577909,-0.905325444,0.855029586,0,0.001385521,-2.92E-04,-6.47E-05,-1.07E-04,-1.58E-04,7.10E-05,-9.83E-05,5.31E-04,0,25.78920902,-2.321028812,-0.95515589,-3.468125551,-3.542036424,1.114348538,-0.95515589,11.46187067,0,47.95613541,-4.316052187,-1.776153163,-6.449127557,-6.58656798,2.07217869,-1.776153163,21.31383796,0,0.005051929,-4.55E-04,-1.87E-04,-6.79E-04,-6.94E-04,2.18E-04,-1.87E-04,0.002245302,0,0.214386238,-0.019294761,-0.007940231,-0.028830601,-0.029445023,0.009263603,-0.007940231,0.095282773,0,1.164549448,-0.10480945,-0.043131461,-0.156608281,-0.159945835,0.050320038,-0.043131461,0.517577533,0,0.134122288,-0.068994083,0.007971729,2.90E-04,-0.016957046,0.01351711,-0.025147929,0.047501644,0,-0.210769008,-0.046700575,-0.077058256,-0.113955051,0.051231518,-0.070933575,0.383128316,0,-0.09,-0.037037037,-0.134479718,-0.137345679,0.043209877,-0.037037037,0.444444444,0,-0.09,-0.037037037,-0.134479718,-0.137345679,0.043209877,-0.037037037,0.444444444,0,-0.09,-0.037037037,-0.134479718,-0.137345679,0.043209877,-0.037037037,0.444444444,0,-0.09,-0.037037037,-0.134479718,-0.137345679,0.043209877,-0.037037037,0.444444444,0,-0.09,-0.037037037,-0.134479718,-0.137345679,0.043209877,-0.037037037,0.444444444,0,-0.514411765,0.059436275,0.002159197,-0.126429739,0.100781979,-0.1875,0.354166667,0,1.74617111,1.10355879,1.136696138,1.084392143,0.749737928,0.873692882,2.09E-05,0,1.625,1.222511574,1.21803351,1.065779321,0.7164903,0.752314815,0,0,1.625,1.222511574,1.21803351,1.065779321,0.7164903,0.752314815,0,0,1.625,1.222511574,1.21803351,1.065779321,0.7164903,0.752314815,0,0,1.625,1.222511574,1.21803351,1.065779321,0.7164903,0.752314815,0,0,1.625,1.222511574,1.21803351,1.065779321,0.7164903,0.752314815,0,0,2.126838235,0.771675858,1.005193744,1.145067402,0.730187908,1.194852941,0,0,36.36295528,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,1.07E-14,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,36.36295528,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,1.07E-14,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,36.36295528,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,1.07E-14,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,36.36295528,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,1.07E-14,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,36.36295528,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,1.07E-14,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,36.36295528,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,1.07E-14,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,47.61019995,23.67662775,36.28758522,47.41749162,5.927186452,23.67662775,-0.256944444,0.070492973,0.008811622,-2.121793797,44.93813846,5.617267307,3.044229474,0,11.89,12.11011416,-0.163405954,0.057491962,5.284181949,8.585130436,7,25,25,25,7,0,0,0,0,0,19.677726,3.564578259,3.142620643,2.755690837,2.333552793,2.232858563,1.606172094,1.280298168,0.815968603,1.944821197,1.693732656,1.462431343,1.249629723,1.138422436,0.7231645,0.555135169,0.293018372,3.589679474,3.180949203,2.806781694,2.405454588,2.302844544,1.696156481,1.389534726,0.948567065,1.888168012,1.616117162,1.367065751,1.134540686,1.0235637,0.586994937,0.407724298,0.128482014,3.701005283,3.348151005,3.026931031,2.704236987,2.596224924,2.066933117,1.826349433,1.465827863,1.72341157,1.381151209,1.069722595,0.76031856,0.651663112,0.135713468,0.094839549,0.442828738,3.608223213,3.209135616,2.84423232,2.457539916,2.353708846,1.761221273,1.467721626,1.042641887,1.85225364,1.566076462,1.304838453,1.058262671,0.947538182,0.49608725,0.308319902,0.016830175,3.75576927,3.428379591,3.130535196,2.838982085,2.729578068,2.231688554,2.014075277,1.682543989,1.672652841,1.306059322,0.972008991,0.631337262,0.524315499,0.022900049,0.277585574,0.655494846,3.577142295,3.259271789,2.961466207,2.634654398,2.457518917,1.829009002,1.54509417,1.139981453,1.871442855,1.500861069,1.174789618,0.878556837,0.818797869,0.391000613,0.197867844,0.112105304,0,0,0,0,0,4,2,2,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.569035594,0,0.23570226,0,1.207106781,0.666666667,0.666666667,1.207106781,0.666666667,0.666666667,6.568914101,3.680739213,3.009975955,1.882088123,0.788675135,0.333333333,0,0,0.821114263,0.525819888,0.376246994,0.268869732,0.197168784,0.166666667,0,0,6.568914101,3.680739213,3.009975955,1.882088123,0.788675135,0.333333333,0,0,0.821114263,0.525819888,0.376246994,0.268869732,0.197168784,0.166666667,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.160416667,0,2.719259259,0,0,0,1.786990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.248888889,0,1.332685185,0,0,0,0.870324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.327546296,0,1.386574074,0,0,0,0.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.708333333,0.2,2.327546296,0.2,0.870324074,6.027454028,0.463009259,0.327546296,2.320833333,0.463009259,0.327546296,2.320833333,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0.25,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.01229,1.12654,9.01229,0,0,3.68073,0.46009,3.68073,0,0,0.23327,0.02916,0.23327,0.02916,0,7,0,0,0,0,0,0,1,0.89049164,1.352030102,2.478345968,3.189508468,3.507380102,3.068884739,23.15278265,35.15278265,64.43699516,82.92722016,91.19188266,79.79100323,0.189448582,0.287639068,0.527258324,0.678555339,0.746181275,0.652893117,3.809948078,3.348409616,2.22209375,1.510931251,1.193059616,1.631554979,0.191756937,0.291143835,0.533682756,0.686823264,0.755273195,0.660848358,6.648700044,12.18716158,16.3853503,18.26677788,18.58713687,13.32519251,31.72521615,23.41346491,20.30332596,17.2708372,16.51025192,15.587175,8,3.9375,3.673469388,8,0,6,2.34,1.2358,1.72030651,3.150627212,4.521745165,0,1,2.149139864,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,3.31,8,7,4,2,0,0,0,0,0,36,2.079441542,2.197224577,2.079441542,1.609437912,1.098612289,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,2,1.111111111,0.375,0.16,0,0,0,0,0,0,0.285714286,0.138888889,0.053571429,0.04,0,0,0,0,0,0,0.518174603,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,0,146.9243357,4,3.433987204,4.110873864,4.844187086,5.556828062,6.289715571,7.01301579,7.744569809,8.471568013,9.202207389,71.66695279,2.708050201,0,3.850147602,0,5.176149733,0,6.577861358,0,8.011355109,8.288283045,114.1408506,4.390032714,14.49604135,1.812005168,0,0,0,70,7,4.77,30,1.2278,2.116942009,2.892113875,3.525657447,4.322663141,5.452718765,6.36847156,0,0,0,71.2221278,74.49919381,74.9659962,60.03110189,47.82739106,27.94486325,6.470774688,0,0,0,272.5498825,326.3003669,370.1873692,357.9654271,336.5859243,338.4748734,197.9559424,0,0,0,8.919363223,15.03016952,20.36648997,24.60132367,29.81514646,37.44023868,42.78634691,0,0,0,2.081648384,2.695254639,3.223798656,3.349020441,3.39430983,3.775631794,2.83150464,0,0,0,176.77647,330.1832551,463.0647242,581.0240432,739.0661882,944.0758809,1177.642808,0,0,0,2.491652222,3.442533592,4.659950637,5.389330385,6.02574831,7.472780394,6.36847156,0,0,0,0.4321989,0.568411947,0.68633069,0.721773567,0.741483006,0.836318882,0.652131488,0,0,0,393.9273135,174.2457451,9.48213876,146.8652023,-64.9628389,-8.926187193,247.0621112,239.208584,18.40832595,0.728425971,0.322204431,0.017533783,0.271574029,-0.120125255,-0.016505752,213.0329429,94.23079487,5.127869676,79.42360225,-35.13141709,-4.827215229,0.067521354,0.147308398,0.884276712,9.589586469,540.7925158,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,746.9549217,27.33047606,9.07329012,1.499478194,1.243862349,582.3960353,479.6633121,143.1793848,1.214176737,4.067596993,3.350086416,4.339155828,4.466158665,7.63628977,0.709811572,5.020209962,6.639712793,3.013565844,25.69186854,8.1312814,5.001251206,7.9048014,18.46014921,8.131692427,4.215861543,4.174705492,0.410757475,1.952300582,1.267677768,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327158,0.183344747,8.70417369,1.544863857,0.108803921,0.717010875,0.92347179,2.122239065,0.109750566,0.079119959,0.010595825,0.130750194,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639353636,0.637696202,11.00383624,1.999704037,0.556003289,1.882338446,3.3129853,2.837109035,0.514878692,0.433473113,0.037402441,0.443883397,0.093040376,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639670705,2.796662113,24.2387339,7.413358851,4.506653134,7.35798417,16.96554977,7.582744506,3.81130142,3.753587283,0.366846941,1.820026094,1.129478069,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.639387323,0.986221481,12.92925265,2.576074671,1.026729573,2.771925907,5.306675616,3.479805185,0.921558061,0.819735271,0.072097839,0.676264037,0.202096129,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.639889611,3.866212245,31.54128436,11.14675138,7.054030695,10.05066678,24.47201099,10.36977213,5.887697863,5.92738104,0.595380337,2.465625438,1.848788887,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.121827968,5.534127292,1.383549513,15.86280738,4.000045433,2.032623753,4.215846701,8.971781162,4.827711628,1.704461012,1.650682459,0.148861965,1.190429513,0.434373822,1.23E-06,2.74E-33,1.17E-81,9.71E-152,1.55E-243,0,0,0,0,0,0,0,0,0,0,0,4.847348613,1.673203822,0.584092069,0.68227884,0.235508451,0.493418202,0.44320762,0.438450648,7.104644504,11.91920519,23.76118813,0.52341826,1.37507647,4.025387496,1.077120485,0.177103589,0.762440085,0.2040151,0.34125029,0.184955989,0.041000799,5.279611571,5.239499811,11.28700197,0.643660128,0.567207079,4.364008411,1.322856137,0.344952111,0.723498186,0.219313055,0.400549585,0.278144232,0.154446593,6.031816659,7.734651239,15.75786102,0.585247279,0.833140411,4.828184312,1.65932107,0.574619238,0.683673055,0.234960605,0.489551664,0.435950129,0.424508462,7.06212462,11.73935336,23.40504458,0.525509582,1.350010255,4.50964906,1.428471511,0.417061727,0.709601841,0.224772704,0.427514057,0.323930366,0.225087519,6.355182298,8.918468026,17.96032243,0.564402762,0.976531943,4.906982324,1.716398683,0.613564295,0.67804607,0.237171709,0.505547156,0.466165739,0.483233793,7.236945302,12.4862081,24.89079928,0.517069106,1.454946687,4.84249163,1.665811762,0.575075602,0.68364147,0.235171909,0.492417805,0.439282093,0.424813307,7.083378994,11.80944601,23.53177558,0.525462205,1.356513206 +UMLMON0116,L,"2,3-Dimethylhexane",CCCC(C)C(C)C,11447,,"Sandia, UML",[1],C8H18,PubChem,,78.9,0,-0.0844,0.00712336,30.6077,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1168.347606,1059.474365,750.796203,366.427321,93.979872,9.144576,0,3461.958223,4376.887272,5667.785137,5815.662656,4863.490598,3129.647608,1341.178331,279.7536999,0,160.279036,159.125208,296.687832,377.285684,374.843244,309.53962,183.793536,60.466176,0,26.63610648,34.55010896,48.7938183,53.12274887,47.09631187,33.0547703,16.01813686,4.001516144,0,3846.242925,3210.7269,6654.719106,8868.264018,9048.100818,7754.449376,4802.005979,1664.258868,0,36.52777778,43.25,65.25,79.58333333,78,61,33,9,0,44.61329874,48.14991518,27.81780014,19.61989565,13.90363339,8.142829356,3.480736,1.016064,0,150.5199227,198.9494215,134.9472652,107.6974566,90.0646407,69.54772462,49.67327153,31.08374443,0,6.968653739,7.232964,7.063996,6.986771926,6.941541556,6.878658222,6.807168,6.718464,0,1.158091586,1.570459498,1.161757579,0.983754609,0.872153924,0.734550451,0.593264328,0.444612905,0,167.2279533,145.9421318,158.445693,164.2271114,167.5574226,172.3210972,177.8520733,184.917652,0,1.588164251,1.965909091,1.553571429,1.473765432,1.444444444,1.355555556,1.222222222,1,0,0.032503873,-0.005861214,-0.00794553,-0.003306304,-0.004926974,-0.001999363,0.003059188,0.004728259,0,589.5388264,-58.58770946,-129.0760474,-115.5734112,-136.6283693,-37.53275137,81.70239171,100.9264839,0,1096.272622,-108.9463475,-240.0224219,-214.9136934,-254.066287,-69.79375388,151.9290862,187.6771065,0,0.115486609,-0.01147693,-0.025285112,-0.022640038,-0.02676456,-0.007352408,0.016004938,0.019770805,0,4.900848691,-0.487040864,-1.073011903,-0.960764204,-1.135794514,-0.312010553,0.679193705,0.839003988,0,26.62148787,-2.645613702,-5.828617687,-5.218886404,-6.169653828,-1.694846278,3.689390983,4.557482978,0,2.845410628,-1.174595673,-0.308286074,0.134688091,-0.238500315,-0.164933837,-0.06852552,0.397448015,0,0.001413212,-2.66E-04,-1.89E-04,-6.12E-05,-9.12E-05,-4.44E-05,1.13E-04,5.25E-04,0,25.63212289,-2.663077703,-3.073239224,-2.140248356,-2.530154988,-0.834061142,3.026014508,11.21405376,0,47.66402704,-4.952106706,-5.714819569,-3.97988321,-4.704931241,-1.550972309,5.627003192,20.85301183,0,0.005021157,-5.22E-04,-6.02E-04,-4.19E-04,-4.96E-04,-1.63E-04,5.93E-04,0.002196756,0,0.213080378,-0.022138221,-0.025547902,-0.01779193,-0.021033232,-0.006933568,0.025155322,0.093222665,0,1.157455995,-0.120255168,-0.138776612,-0.096646045,-0.114252849,-0.037663251,0.13664411,0.506386998,0,0.123713506,-0.053390712,-0.007340145,0.002494224,-0.004416673,-0.003665196,-0.002537982,0.044160891,0,-0.188520067,-0.133864767,-0.043325311,-0.064562334,-0.031439227,0.080174282,0.371750454,0,-0.103896104,-0.119897959,-0.083498677,-0.098710317,-0.032539683,0.118055556,0.4375,0,-0.103896104,-0.119897959,-0.083498677,-0.098710317,-0.032539683,0.118055556,0.4375,0,-0.103896104,-0.119897959,-0.083498677,-0.098710317,-0.032539683,0.118055556,0.4375,0,-0.103896104,-0.119897959,-0.083498677,-0.098710317,-0.032539683,0.118055556,0.4375,0,-0.103896104,-0.119897959,-0.083498677,-0.098710317,-0.032539683,0.118055556,0.4375,0,-0.431567372,-0.059331797,0.02016129,-0.035700811,-0.029626486,-0.020514997,0.356960951,0,1.727154756,1.209809405,1.021645895,1.009194551,0.861467339,0.583673553,1.51E-08,0,1.642857143,1.290816327,1.087632275,1.003968254,0.803174603,0.501984127,0,0,1.642857143,1.290816327,1.087632275,1.003968254,0.803174603,0.501984127,0,0,1.642857143,1.290816327,1.087632275,1.003968254,0.803174603,0.501984127,0,0,1.642857143,1.290816327,1.087632275,1.003968254,0.803174603,0.501984127,0,0,1.642857143,1.290816327,1.087632275,1.003968254,0.803174603,0.501984127,0,0,2.040322581,0.920446277,0.859083192,1.026127146,0.987945671,0.859083192,0,0,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,36.77045554,18.29296587,28.35009323,36.63865282,5.23409326,18.29296589,-0.18452381,0.044253682,0.006321955,-2.182471697,23.05157387,3.293081982,2.196413834,0,11.89,12.11009426,-0.169148055,0.051271425,5.205584379,7.956379543,6,22,22,22,6,0,0,0,0,0,17.491312,3.513114128,3.071856517,2.688670694,2.233248777,1.776372742,1.396431061,0.930872281,0.083923071,1.921555107,1.656855366,1.432571689,1.139580706,0.859974435,0.651168221,0.361399181,0.083923071,3.540559641,3.113111403,2.743477416,2.303286336,1.863932868,1.502723355,1.058534859,0.270913902,1.861678808,1.575544616,1.333760036,1.024619841,0.728078729,0.504550424,0.20099611,0.270913902,3.661469382,3.29212709,2.977651733,2.596903846,2.223976014,1.930021187,1.557723544,0.943918427,1.685639611,1.327263863,1.022809842,0.652389658,0.290687386,0.007523115,0.353869665,0.943918427,3.560792974,3.143400625,2.78353999,2.354189513,1.927186899,1.578932786,1.149164306,0.399277246,1.82355259,1.522942124,1.269062686,0.948526365,0.640005638,0.40587786,0.092299111,0.399277246,3.720446316,3.377434827,3.086797123,2.730372543,2.383750373,2.114833279,1.767609835,1.207644823,1.630804989,1.247214842,0.91952574,0.52493374,0.136817796,0.171995084,0.559571488,1.207644823,3.542208774,3.213963171,2.9227269,2.468351898,2.026762165,1.67067351,1.247616643,0.591549296,1.827687999,1.439546903,1.12040559,0.810651265,0.510022989,0.280579946,0.037436701,0.591549296,0,0,0,0,0,3,3,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.49279928,0.40824829,0.204124145,0.49279928,0.40824829,0.204124145,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,6.801574074,0,4.082685185,0,0,0,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.242222222,0,1.341111111,0,0,0,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.309027778,0,1.399305556,0,0,0,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.69047619,0.2,2.309027778,0.2,0.949074074,5.309490741,0.384259259,0.309027778,1.603148148,0.384259259,0.309027778,1.603148148,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.42857,0.14286,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.07892,1.01127,7.07892,0,0,3.30805,0.47258,3.30805,0,0,0.10595,0.01514,0.10595,0.01514,0,6,0,0,0,0,0,0,1,0.886540893,1.327484782,2.521861955,3.207707064,3.017944979,2.379571242,20.39044053,30.53214998,58.00282497,73.77726248,69.41273451,54.73013857,0.195982923,0.293460064,0.557494731,0.709110894,0.66716119,0.526039273,3.637021063,3.196077174,2.001700001,1.315854892,1.505616978,2.143990714,0.19880132,0.297680264,0.565511969,0.719308499,0.676755523,0.533604155,6.634953582,11.92628025,16.71908002,16.45445059,14.94658598,10.9352509,27.76507516,20.80617277,17.57522093,17.11297261,19.39173394,16.41148336,7,4.166666667,3.84,7,0,6,2.23,1.0949,0.766309432,4.112265279,1.650963624,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.039,6,5,3,1,0,0,0,0,0,28,1.945910149,1.945910149,1.791759469,1.386294361,0.693147181,0,0,0,0,0,3.36729583,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,6,1,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,0,129.6283511,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,100.1252005,4.353269587,12.66537523,1.809339318,0,0,0,50,5,4.262,24,1.224818182,2.11142556,2.867533957,3.525187397,4.36918953,5.563380252,7.058444873,0,0,0,69.72220731,66.73106956,64.29670785,59.79718573,44.26043391,22.09307243,7.171831732,0,0,0,268.787596,308.3215324,331.3002501,351.9450334,340.1511157,296.9300748,219.4028965,0,0,0,8.893455721,14.97034384,20.08381424,24.56302577,30.1827031,37.96906017,47.42190778,0,0,0,2.059771149,2.597411395,2.956662873,3.295888154,3.465837725,3.465113537,3.138275679,0,0,0,176.6115071,330.5407757,467.4308715,583.7815225,742.9770141,981.6370519,1305.231053,0,0,0,2.466049242,3.384750067,4.327180033,5.271150248,6.218951454,7.045689013,7.058444873,0,0,0,0.427911136,0.549535126,0.632467242,0.710702546,0.757650181,0.773655823,0.722784755,0,0,0,381.0301594,150.5104252,9.240304407,140.8270612,-55.6279873,-8.554166061,240.2030982,206.1384125,17.79447047,0.730142545,0.288413036,0.017706576,0.269857455,-0.106596182,-0.016391775,198.8433399,78.54495217,4.822119576,73.49161876,-29.02986684,-4.464053325,0.075001756,0.164955492,1.169730682,10.73838948,521.8572206,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,598.4971078,24.46420053,8.427278607,1.89259598,1.526290971,483.5382822,439.5710476,80.20393844,1.100023045,6.028859576,5.480666612,4.019056751,4.466158665,7.63628977,0.709811572,4.462408855,5.691185733,2.523473062,22.07828065,7.839961149,5.513492167,6.198358568,8.891993467,6.032234781,2.422975435,2.910398195,0.073937921,1.544812114,1.267677695,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851887,0.161895582,6.467581135,1.046305104,0.171644691,0.531568745,0.420956045,2.069101809,0.054172639,0.022953403,0.008212694,0.127880219,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690874825,0.55548736,8.252787789,1.509035101,0.745805086,1.410923038,1.533025675,2.611946213,0.273168838,0.219255056,0.012653829,0.413976048,0.093040371,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691149302,2.34760599,20.62688193,7.097177789,5.003844943,5.753321569,8.155110881,5.695471762,2.184378152,2.594569597,0.066739288,1.456961205,1.129478003,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690903994,0.851940353,9.894342239,2.101039475,1.293225955,2.096925619,2.479641444,3.063607087,0.502046392,0.470725769,0.018367329,0.611301281,0.202096118,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691338777,3.210160512,28.01501293,10.96130198,7.60784131,7.957538365,11.86819189,7.386008805,3.412647832,4.237662994,0.104196171,1.871341804,1.848788779,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,2.765215168,4.950965967,1.235374837,12.66535211,3.623676924,2.531053764,3.217684934,3.928312033,4.191038531,0.93240862,1.028201207,0.03411055,1.073119595,0.443599177,1.26E-06,2.80E-33,1.20E-81,9.92E-152,1.58E-243,0,0,0,0,0,0,0,0,0,0,0,5.077399275,1.103250795,0.584503124,0.750522439,0.163078465,0.508613498,0.435401278,0.435706437,6.765153195,9.214254066,19.25358614,0.625783658,1.379721213,4.20910626,0.620836848,0.181093231,0.839967219,0.123893903,0.349627151,0.137456934,0.042081886,5.011036339,3.487838266,8.972101688,0.759950829,0.529165971,4.5685986,0.820779259,0.348212092,0.796257425,0.143052966,0.41182159,0.240615132,0.155194704,5.737589952,5.626457514,12.66977699,0.694386137,0.807631426,5.057321662,1.092114576,0.575183676,0.752060596,0.162405398,0.504599092,0.42663456,0.421983095,6.724619914,9.060230041,18.96168988,0.628090894,1.353216747,4.722444579,0.906249705,0.419686898,0.780778267,0.149833431,0.440004182,0.293493126,0.225198282,6.048381182,6.642003249,14.48652432,0.671167401,0.95869559,5.139824419,1.137870382,0.613476745,0.745856403,0.16512002,0.521197446,0.46322455,0.47976118,6.891171545,9.699673745,20.1787358,0.618784604,1.464183176,5.075117168,1.094685998,0.575927151,0.752345103,0.162278352,0.508156055,0.428619509,0.422618901,6.745730316,9.109016857,19.05440243,0.628517654,1.359394466 +UMLMON0117,L,3-Methylhexane,CCCC(C)CC,11507,,"Sandia, UML",[1],C7H16,PubChem,,55.8,0,-0.3796,0.14409616,29.1534,19.363516,0,0,19,7,12,0,6,0,1,0,0,0,0,0,0,0,1133.745495,1058.76965,1188.456622,1067.384565,716.772887,323.876617,84.835296,9.144576,0,3130.497121,3797.153407,4644.539406,4307.716772,3247.508299,2127.761402,1061.424631,279.7536999,0,139.21638,133.148048,238.813384,287.71626,225.06698,174.31498,123.32736,60.466176,0,22.71195886,28.64637172,37.87959372,35.88787876,27.3996407,19.97477611,12.01662072,4.001516144,0,3165.229247,2624.785681,5234.328808,6530.204932,5019.500517,4062.749184,3137.747111,1664.258868,0,78.52777778,45.91666667,70.75,99.91666667,84.5,52,24,9,0,59.67081553,58.82053611,36.01383703,27.368835,23.89242957,13.49485904,4.713072,1.016064,0,164.7630063,210.9529671,140.7436184,110.4542762,108.2502766,88.65672507,58.96803508,31.08374443,0,7.327177895,7.397113778,7.236769212,7.37734,7.502232667,7.263124167,6.85152,6.718464,0,1.195366256,1.591465096,1.147866476,0.92020202,0.913321357,0.832282338,0.66759004,0.444612905,0,166.591013,145.8214267,158.6160245,167.4411521,167.3166839,169.281216,174.3192839,184.917652,0,4.133040936,2.550925926,2.143939394,2.561965812,2.816666667,2.166666667,1.333333333,1,0,0.126537503,-0.046314752,-0.006501849,0.007127583,-0.003157852,-0.019175743,-1.08E-04,0.00486179,0,605.7336044,-45.41908671,-27.34060142,-13.52325939,-228.5785382,-197.3498514,45.73754676,163.6069882,0,916.6964704,-95.75164029,-214.459928,2.978736188,-212.8169417,-203.8746415,20.43736773,245.1388123,0,1.062550737,-0.002447645,0.109778404,-0.195828565,-0.400939058,-0.240251457,0.100081197,0.098331756,0,4.063287563,-0.461433045,-1.426951984,-0.029278688,-0.490865693,-0.506295278,-0.061127079,0.944307985,0,22.47243353,-2.562605463,-8.525997698,-0.329274982,-2.023326988,-2.129787261,-0.558110864,4.892886488,0,33.75438596,-0.701523546,1.145891043,-5.438827331,-9.827100646,-6.575715605,1.943213296,2.576869806,0,0.006659869,-0.002573042,-1.97E-04,1.83E-04,-1.05E-04,-7.99E-04,-6.00E-06,5.40E-04,0,31.88071602,-2.523282595,-0.828503073,-0.346750241,-7.619284608,-8.222910474,2.54097482,18.17855424,0,48.24718265,-5.319535572,-6.498785696,0.076377851,-7.093898055,-8.494776728,1.135409318,27.23764581,0,0.055923723,-1.36E-04,0.003326618,-0.005021245,-0.013364635,-0.010010477,0.005560066,0.010925751,0,0.21385724,-0.025635169,-0.043240969,-7.51E-04,-0.01636219,-0.021095637,-0.003395949,0.104923109,0,1.18275966,-0.14236697,-0.258363567,-0.008442948,-0.067444233,-0.088741136,-0.031006159,0.543654054,0,1.77654663,-0.03897353,0.034723971,-0.139457111,-0.327570022,-0.27398815,0.107956294,0.286318867,0,-0.38635023,-0.029584024,0.027441765,-0.015805379,-0.119970728,-9.00E-04,0.081112539,0,-0.079147614,-0.025987593,-0.010876488,-0.238993522,-0.257927409,0.079702564,0.570205331,0,-0.11025588,-0.134697724,0.001583053,-0.147032379,-0.176067829,0.023533173,0.564543758,0,-0.002431532,0.059484922,-0.089787392,-0.238979713,-0.179002342,0.099422324,0.195368801,0,-0.119870476,-0.202195489,-0.003510452,-0.076509871,-0.098643546,-0.015879513,0.490622199,0,-0.12036847,-0.218441308,-0.007138346,-0.057022771,-0.075028883,-0.026215097,0.459648797,0,-0.021937803,0.01954577,-0.078498987,-0.184385828,-0.154225139,0.060767498,0.161165974,0,1.124231077,0.782423847,1.266503624,1.551255154,1.077893154,0.174611671,1.24E-05,0,1.212328523,0.995485519,1.000307492,1.283904329,1.166880737,0.59960026,0,0,1.492302918,1.226099545,0.89480256,1.031927374,1.023355056,0.736756672,0,0,0.521883785,0.532804333,1.410031057,1.905304594,1.277830275,0.066959626,0,0,1.578834284,1.31705836,0.889952635,0.954049145,0.933888399,0.743061575,0,0,1.583316226,1.329172695,0.900141658,0.950015396,0.912289051,0.729815845,0,0,0.540670478,0.558849934,1.405515353,1.871608628,1.260947245,0.088877339,0,0,27.48565425,13.86782713,21.52624284,27.66422568,3.95203224,13.8678301,0.25,0.085547374,0.012221053,-1.721079481,24.69870358,3.528386225,2.244725529,27.48734558,13.86830558,21.52675366,27.66539242,3.952198918,13.86830856,0.249265579,0.085540504,0.012220072,-1.721135703,24.69828912,3.528327017,2.244713782,28.99853991,14.29977272,21.9928658,28.71354386,4.101934837,14.29977444,-0.398994478,0.078871397,0.011267342,-1.777955647,24.32998684,3.475712405,2.234196731,27.4891207,13.86880775,21.5272898,27.66661698,3.952373855,13.86881072,0.2484948,0.085533291,0.012219042,-1.721194723,24.69785412,3.528264874,2.244701453,30.62447259,14.77108916,22.52047569,29.85140526,4.264486466,14.77109019,-1.082294264,0.069702629,0.009957518,-1.864462074,23.98413427,3.426304896,2.224174778,27.66294742,13.9180408,21.57991547,27.78661469,3.969516385,13.91804358,0.173134186,0.08482144,0.012117349,-1.727044858,24.65522167,3.522174524,2.243492097,30.17598369,15.14660012,23.93961865,30.45795648,4.351136641,15.14660107,0.657936508,0.114437046,0.016348149,-1.517411296,24.11620302,3.44517186,2.228018757,0,11.89,15.99491614,-0.299200604,0.132424371,4.272433469,6.859887239,6,18,17,17,5,1,1,0,0,1,14.076484,3.552797882,3.073182212,2.634436484,2.061380182,1.563354361,1.332142786,0.083923071,0.083923071,1.848875044,1.640660305,1.247427004,0.890521635,0.653269005,0.184896588,0.083923071,0.083923071,3.512992966,3.103114292,2.610676125,2.049038151,1.57640057,1.371380742,0.270913902,0.270913902,1.815919534,1.563918152,1.178810588,0.794827926,0.518467226,0.282290808,0.270913902,0.270913902,3.655508927,3.286141865,2.869432722,2.388483546,2.001760761,1.840856881,0.943918427,0.943918427,1.630123691,1.313041256,0.856950664,0.38590828,0.029405492,0.223499597,0.943918427,0.943918427,3.51462953,3.130191438,2.628716748,2.077786481,1.626432076,1.39853323,0.399277246,0.399277246,1.798655728,1.514518227,1.13831518,0.737668312,0.435656713,0.274849596,0.399277246,0.399277246,3.691352406,3.367907184,2.951413312,2.501490054,2.152726213,1.979165308,1.207644823,1.207644823,1.590218511,1.23533567,0.770989321,0.268102159,0.13145659,0.336744782,1.207644823,1.207644823,4.842056784,3.306799281,3.144220305,2.506434726,1.985682882,1.652053613,0.590163934,0.590163934,1.690155655,1.407726702,0.925939843,0.527736147,0.278624039,0.474902009,0.590163934,0.590163934,0,0,0,1,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.102062073,0,0,0,0.49279928,0.40824829,0.204124145,0.174230856,0.144337567,0.072168784,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.029568634,2.825444489,1.642228525,0.923176335,0.455615463,0.176776695,0,0,0.718509805,0.470907415,0.273704754,0.184635267,0.151871821,0.176776695,0,0,9.965765927,18.6576839,17.70196078,17.96,11.27156647,146.3240515,0.524513996,0.981983363,0.931682147,0.945263158,0.59324034,7.701265868,1.7656,30.206,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,2,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41180556,0.377314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.680208333,0.802777778,0,0,0,0,0,0,0,0,0,0,3.922175926,0,2.45537037,0,0,0,0,0,0,0.377314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41180556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41180556,0.377314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.265625,0.401388889,0,0,0,0,0,0,0,0,0,0,1.900787037,0,0.702222222,0,0,0,0,0,0,0.377314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41180556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41180556,0.377314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.021388889,0,0.992731481,0,0,0,0,0,0,0.377314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41180556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.16666667,2.452380952,0.515972222,10.41180556,0.265625,0.377314815,2.82466713,1.289351852,3.411805556,6.866388889,1.289351852,3.411805556,6.866388889,3.33333,0.47619,0,0.02381,0.48772,0.80952,0.42174,0.48772,0.80952,0.06598,0,-0.06598,0,0.58823,0.12606,0,0.4,0.15,0,4.75,0.67857,3.25,0.46429,1.5,0.21429,-1.75,-0.25,0,0,5.23233,0.74748,7.07892,1.84659,0.2638,2.61989,0.37427,3.30805,0.68816,0.09831,0.10595,0.01514,0.10595,0.01514,0,6.01,1,1,1,1,0,0,0.833333333,1.167436723,1.773214355,2.905307776,3.326360408,2.925853015,2.200441883,22.18129774,33.69107275,55.20084775,63.20084775,55.59120728,41.80839577,0.27482501,0.417430464,0.683935347,0.783054889,0.688771879,0.518003633,3.08049079,2.474713158,1.342619737,0.921567105,1.322074499,2.047485631,0.27482501,0.417430464,0.683935347,0.783054889,0.688771879,0.518003633,10.29981851,17.56915009,21.02424428,20.29152061,18.29407895,13.08456674,25.71846446,17.70137014,15.5649527,15.83118111,18.54454299,15.65423121,7,4.166666667,3.84,7,1,6,2.01,0.9697,0.2,2.803965796,0.816496581,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,3.388,6,5,3,1,0,0,0,0,0,28,2.079441542,2.197224577,2.079441542,1.609437912,0.693147181,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,17.07,118.4861345,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,100.088815,5.267832369,12.66537523,1.809339318,2.41660592,2.41660592,0,50,5,1.26,24,1.230611111,2.12189994,2.880388876,3.638556339,4.944601944,5.832757812,7.019466268,0,0,0,82.68712511,85.97766925,87.23558191,103.5031061,75.32865678,30.45831128,7.132226974,0,0,0,283.9634567,322.0517162,343.7194258,445.9651869,468.2136159,366.332875,218.1912955,0,0,0,9.132995542,15.45196097,21.32465015,27.13493355,35.90462506,40.0700794,47.16003142,0,0,0,2.091655824,2.567775733,2.805141245,3.691374765,4.322651002,4.072905854,3.120945288,0,0,0,177.3517926,332.8265365,478.8383605,595.5631062,829.8998588,1008.253377,1298.023221,0,0,0,3.198671296,4.78747594,7.497275674,9.958243522,10.72678844,8.044623556,7.019466268,0,0,0,0.447387083,0.572627928,0.654854397,0.857762291,0.98621137,0.901627126,0.718793346,0,0,0,364.0888265,171.7879773,11.41274683,173.0562267,-81.65309389,-17.70920943,191.0325998,253.4410712,29.12195627,0.677822172,0.319816735,0.021247048,0.322177828,-0.152013117,-0.032969138,195.568512,92.27506218,6.130300504,92.95629607,-43.85955546,-9.512414242,0.280521558,0.634088111,4.975621931,20.49595426,504.8215418,32.32351138,0.939823496,0.060176504,444.2955983,21.07832058,7.630576257,560.5400313,23.67572663,8.245219299,716.0496234,26.75910356,8.946387537,2.051616202,2.051616202,472.2471986,426.1042902,62.87230463,1.108290176,7.511211834,6.777297138,3.824880792,4.434143809,7.611354189,0.716533003,3.360021677,4.829738104,2.840848094,8.322200176,5.643179162,0.57458248,1.53277652,7.631682543,6.378359806,3.20459009,2.249305966,0.825453048,1.226700503,1.154038266,5.51E-07,1.01E-34,3.58E-84,2.45E-155,3.23E-248,0,0,0,0,0,0,0,0,0,0,0,0.298477101,4.829556012,0.23266514,4.313567138,0.243860419,0.059312654,0.432791131,0.420986938,1.229269215,0.115278012,0.074083622,0.007885354,0.080549646,0.008127986,3.88E-09,7.13E-37,2.52E-86,1.72E-157,2.27E-250,0,0,0,0,0,0,0,0,0,0,0,0.916142542,4.829450735,0.606746408,4.256783087,0.690731708,0.105695574,0.62991875,1.39556423,1.817088273,0.473383103,0.311449496,0.062899548,0.274783302,0.084699879,4.04E-08,7.43E-36,2.63E-85,1.80E-156,2.37E-249,0,0,0,0,0,0,0,0,0,0,0,3.176697216,4.829776581,2.969031818,8.424163466,5.656215787,0.703989351,1.480890722,7.265068465,5.899299643,2.919066907,2.04303683,0.735826663,1.142482289,1.028227318,4.91E-07,9.02E-35,3.19E-84,2.18E-155,2.87E-248,0,0,0,0,0,0,0,0,0,0,0,1.34265012,4.829425913,0.823363613,4.423129508,1.046168982,0.108912052,0.774672901,2.148664104,2.358138291,0.800118755,0.535750425,0.13388123,0.419912358,0.183979456,8.79E-08,1.61E-35,5.71E-85,3.90E-156,5.14E-249,0,0,0,0,0,0,0,0,0,0,0,4.057735794,4.829893228,3.791514597,10.32571321,8.136633294,0.83880283,1.796333099,10.18175686,8.338308425,4.371206282,3.096031362,1.202234192,1.55447727,1.683056353,8.04E-07,1.48E-34,5.23E-84,3.57E-155,4.71E-248,0,0,0,0,0,0,0,0,0,0,0,2.093622362,4.453679391,3.374887781,9.434040521,5.515992995,1.299404945,1.154666893,4.909261087,3.562264838,1.326596441,1.040242822,0.290493606,0.753028962,0.401943992,1.92E-07,3.52E-35,1.25E-84,8.53E-156,1.12E-248,0,0,0,0,0,0,0,0,0,0,0,5.921006262,0.80079261,0.436829068,0.827114681,0.11186398,0.58713498,0.53502877,0.526296249,7.15862794,7.677775196,16.90762732,0.740672021,1.648459999,4.194386235,0.589845182,0.083527025,0.861666881,0.121173881,0.294229379,0.290170423,0.019242489,4.867758442,2.873651129,7.948058647,0.792500322,0.603642291,5.063011788,0.589415744,0.225624232,0.861341817,0.100273997,0.429142228,0.290266047,0.140403746,5.878051764,4.259543479,10.81090733,0.792012726,0.859812021,5.78491394,0.817198689,0.419896123,0.823826079,0.116376769,0.560231457,0.558009584,0.486285078,7.022008752,7.499625585,16.50666138,0.735739119,1.604526119,5.430892232,0.613151424,0.294005474,0.856871274,0.096741349,0.494113368,0.313257034,0.238406475,6.338049129,5.106941224,12.42401662,0.785306911,1.045776877,6.001694314,0.836294729,0.461872524,0.822165497,0.114563094,0.603199104,0.583700848,0.588371286,7.299861568,8.177464583,17.79554994,0.733248246,1.775271237,5.789961752,0.82136554,0.419380696,0.823524709,0.116825438,0.561152136,0.563907722,0.48509197,7.030707988,7.528338104,16.55348441,0.735287064,1.610151829 +UMLMON0118,L,3-hexanone,CCCC(=O)CC,11509,,UML,[11],C6H12O,PubChem,,93.5,0,0.532,0.283024,36.4788,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1483.122152,1322.777238,1077.763517,629.730194,178.815168,18.289152,0,3947.642614,5029.877407,6806.459662,7324.378233,6375.170056,4638.363184,2402.602963,559.5073998,0,181.25648,180.900988,339.441056,442.565592,498.218036,374.819528,307.120896,120.932352,0,30.31423229,39.56609758,57.48793273,66.15786616,61.12578116,46.08988759,28.03475758,8.003032287,0,4342.872585,3643.766351,7584.388218,10156.44855,12196.78175,9042.633905,7939.753089,3328.517736,0,42.05555556,49.66666667,75.69444444,98.66666667,100.3333333,81,57,18,0,45.09238923,49.11105724,30.89837817,20.9964641,14.96893774,11.66167026,3.9736704,1.016064,0,151.8324082,201.1950963,141.801243,116.259972,88.54402856,85.89561452,53.39117695,31.08374443,0,6.971403077,7.23603952,7.071688667,7.024850667,6.919694944,6.94110237,6.8249088,6.718464,0,1.165932011,1.582643903,1.197665265,1.05012486,0.848969183,0.853516437,0.622994613,0.444612905,0,167.033561,145.7506541,158.0080879,161.213469,169.3997466,167.4561834,176.4389575,184.917652,0,1.617521368,1.986666667,1.576967593,1.566137566,1.393518519,1.5,1.266666667,1,0,0.036019739,-0.006995104,-0.002153772,-0.016225517,0.008513475,-0.012088906,0.00138496,0.009554995,0,670.5194345,-58.02572029,-45.8474827,-339.5579187,89.54586464,-256.4593563,68.77122405,206.3136721,0,1246.859521,-107.9013047,-85.25535183,-631.4224495,166.5143591,-476.8971243,127.8830278,383.6490833,0,0.131350154,-0.01136684,-0.008981207,-0.066517065,0.01754142,-0.050238627,0.013471811,0.040415432,0,5.574042193,-0.482369036,-0.38113109,-2.822752136,0.74439666,-2.131952035,0.571696635,1.715089906,0,30.27828566,-2.620236259,-2.070310131,-15.3332344,4.043574474,-11.58079729,3.105465196,9.316395587,0,3.487179487,-1.752629849,0.743754109,-1.533037475,1.304733728,-0.883629191,-0.477810651,0.855029586,0,0.001385375,-2.80E-04,-4.49E-05,-2.58E-04,1.18E-04,-2.24E-04,3.08E-05,5.31E-04,0,25.78920902,-2.321028812,-0.95515589,-5.389808234,1.243692565,-4.74924734,1.528249423,11.46187067,0,47.95613541,-4.316052187,-1.776153163,-10.02257856,2.312699431,-8.831428228,2.841845061,21.31383796,0,0.005051929,-4.55E-04,-1.87E-04,-0.001055826,2.44E-04,-9.30E-04,2.99E-04,0.002245302,0,0.214386238,-0.019294761,-0.007940231,-0.044805589,0.010338843,-0.039480593,0.01270437,0.095282773,0,1.164549448,-0.10480945,-0.043131461,-0.243384673,0.056160757,-0.214459209,0.069010338,0.517577533,0,0.134122288,-0.070105194,0.015494877,-0.024333928,0.018121302,-0.016363504,-0.010618014,0.047501644,0,-0.201970052,-0.032388529,-0.185904881,0.08535071,-0.161594291,0.022215568,0.383169348,0,-0.09,-0.037037037,-0.208994709,0.048225309,-0.184156379,0.059259259,0.444444444,0,-0.09,-0.037037037,-0.208994709,0.048225309,-0.184156379,0.059259259,0.444444444,0,-0.09,-0.037037037,-0.208994709,0.048225309,-0.184156379,0.059259259,0.444444444,0,-0.09,-0.037037037,-0.208994709,0.048225309,-0.184156379,0.059259259,0.444444444,0,-0.09,-0.037037037,-0.208994709,0.048225309,-0.184156379,0.059259259,0.444444444,0,-0.522696078,0.115527982,-0.181430906,0.135110294,-0.122004357,-0.079166667,0.354166667,0,1.736836292,1.097051805,1.26310628,0.77917945,1.144207119,0.699032655,1.87E-05,0,1.625,1.222511574,1.28968254,0.815007716,1.086676955,0.601851852,0,0,1.625,1.222511574,1.28968254,0.815007716,1.086676955,0.601851852,0,0,1.625,1.222511574,1.28968254,0.815007716,1.086676955,0.601851852,0,0,1.625,1.222511574,1.28968254,0.815007716,1.086676955,0.601851852,0,0,1.625,1.222511574,1.28968254,0.815007716,1.086676955,0.601851852,0,0,2.134803922,0.717741524,1.204335901,0.705295139,1.250170207,0.955882353,0,0,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,47.89266769,23.81786162,36.90702939,47.69995936,5.96249492,23.81786163,-0.256944444,0.002779983,3.47E-04,-4.708248382,27.87218818,3.484023522,2.662103482,0,11.89,12.11011416,-0.164612092,0.056117657,5.441366761,8.27075799,7,25,25,25,7,0,0,0,0,0,19.677726,3.553387335,3.186361378,2.70465292,2.333552793,2.211476357,1.741961771,1.115201586,0.882379902,1.941354195,1.711809299,1.439357507,1.249629723,1.113400739,0.837005275,0.424899233,0.340133507,3.579223546,3.222241282,2.758533368,2.405454588,2.280960637,1.830507057,1.226270859,1.013471333,1.883956111,1.636692126,1.341388541,1.134540686,0.998783506,0.703877645,0.272406879,0.17770596,3.693390468,3.379997685,2.989220212,2.704236987,2.572763368,2.194586449,1.673112861,1.523992969,1.716289813,1.411364586,1.033791891,0.76031856,0.627978952,0.262023828,0.24590054,0.385913507,3.598287441,3.248695134,2.797945256,2.457539916,2.331494498,1.894476573,1.305958274,1.106400464,1.847506818,1.588430577,1.27729714,1.058262671,0.922937886,0.614951603,0.169673593,0.067519302,3.749315809,3.456381668,3.096993741,2.838982085,2.705612122,2.356081623,1.866169565,1.737742468,1.66437737,1.340097469,0.931889276,0.631337262,0.501173825,0.106465709,0.433539355,0.595681058,3.568361912,3.296195697,2.922472865,2.634654398,2.421479144,1.98003123,1.372769736,1.203799381,1.864903225,1.526265241,1.141956104,0.878556837,0.805262811,0.496493089,0.063443241,0.060043016,0,0,0,0,0,4,2,2,0,0,0,0,0,0,0,0,0,0,0,0.696923425,0,0,0,0.696923425,0,0,0,0.691044062,0.902368927,0.666666667,0.691044062,0.902368927,0.666666667,6.568914101,3.66390246,3.142969116,1.570696873,0.971404521,0.333333333,0,0,0.821114263,0.523414637,0.39287114,0.261782812,0.194280904,0.166666667,0,0,6.568914101,3.66390246,3.142969116,1.570696873,0.971404521,0.333333333,0,0,0.821114263,0.523414637,0.39287114,0.261782812,0.194280904,0.166666667,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.144212963,0,2.716944444,0,0,0,1.805509259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.256990741,0,1.331527778,0,0,0,0.879583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.319444444,0,1.385416667,0,0,0,0.925925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.708333333,0.2,2.319444444,0.2,0.879583333,6.027208657,0.45375,0.319444444,2.288425926,0.45375,0.319444444,2.288425926,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0.25,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.9638,1.12047,8.9638,0,0,3.66389,0.45799,3.66389,0,0,0.25011,0.03126,0.25011,0.03126,0,7,0,0,0,0,0,0,1,0.89049164,1.352030102,2.478345968,2.929705102,2.825251737,2.694448682,23.15278265,35.15278265,64.43699516,76.17233265,73.45654517,70.05566573,0.189448582,0.287639068,0.527258324,0.623283199,0.601061157,0.573233324,3.809948078,3.348409616,2.22209375,1.770734616,1.875187981,2.005991036,0.191756937,0.291143835,0.533682756,0.630877655,0.608384847,0.580217942,6.648700044,12.18716158,16.3853503,15.14913749,15.8894187,12.94782648,31.72521615,23.41346491,20.30332596,21.73364995,21.21916191,16.67704054,8,3.9375,5,8,0,6,2.34,1.2358,1.639769145,3.486742171,4.085857991,0,0.5,3.039342743,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,3.31,8,6,5,2,0,0,0,0,0,36,2.079441542,2.197224577,1.945910149,1.791759469,1.098612289,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,2.5,0.666666667,0.5,0.16,0,0,0,0,0,0,0.357142857,0.083333333,0.083333333,0.032,0,0,0,0,0,0,0.555809524,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,0,146.9243357,4,3.433987204,4.077537444,4.828313737,5.493061443,6.248042875,6.918695219,7.673688129,8.34640487,9.100860271,71.12059119,2.708050201,0,3.850147602,0,5.141663557,0,6.49677499,0,7.884199934,8.176110342,114.1408506,4.390032714,14.49663423,1.812079278,0,0,0,71,6,4.77,30,1.2278,2.116942009,2.891979167,3.494712307,4.279870039,5.192078801,6.36847156,0,0,0,71.2221278,74.49919381,67.46777057,62.0205237,59.75691026,23.19912597,6.470774688,0,0,0,272.5498825,326.3003669,355.4863844,338.636966,404.6633866,296.576416,197.9559424,0,0,0,8.919363223,15.03016952,20.35936831,24.25446154,29.82692731,35.52786968,42.78634691,0,0,0,2.081648384,2.695254639,3.154509661,3.149615746,3.906191255,3.38949137,2.83150464,0,0,0,176.77647,330.1832551,463.0874653,586.7295869,707.5373598,908.7245649,1177.642808,0,0,0,2.48996,3.463478713,4.617416705,5.011250482,6.693614991,6.808128105,6.36847156,0,0,0,0.4321989,0.568411947,0.673422292,0.679336469,0.845637409,0.754037253,0.652131488,0,0,0,388.7507542,172.1208008,9.346623055,138.6256556,-61.37700981,-8.276979589,250.1250986,233.4978106,17.62360264,0.737140962,0.326371824,0.017722869,0.262859038,-0.116381789,-0.015694634,205.0179771,90.77244997,4.929188511,73.10790058,-32.36878708,-4.36508378,0.066929334,0.146665375,0.67367935,8.357720016,527.3764099,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,748.7931004,27.36408413,9.080726832,1.797339331,1.797339331,542.0062692,526.9427783,126.043483,1.028586578,4.300153061,4.180642789,4.263641753,4.466158665,7.63628977,0.709811572,5.020209962,6.63971282,3.013538183,25.69200968,8.457113311,14.04206848,7.849651337,14.86089924,6.849924351,4.272270483,4.174760574,0.410757475,1.952300582,1.267677768,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327158,0.183344552,8.704174269,1.547136754,1.532895559,0.569539559,0.6875567,2.11321181,0.110147845,0.079120347,0.010595825,0.130750194,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639353638,0.637694172,11.00384553,2.023561827,3.137561585,1.599667013,2.507837792,2.743035391,0.519018754,0.433477155,0.037402441,0.443883397,0.093040376,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639670728,2.796637467,24.23885937,7.703654094,12.94063916,7.2426863,13.61369616,6.440712464,3.86156076,3.753636359,0.366846941,1.820026094,1.129478069,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.639387327,0.986217072,12.92927386,2.627951026,4.52080996,2.442182938,4.075940309,3.275463816,0.930550863,0.819744052,0.072097839,0.676264037,0.202096129,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.63988965,3.866171904,31.54149155,11.62201824,18.50124443,10.28009305,19.90964868,8.50043274,5.969965045,5.927461372,0.595380337,2.465625438,1.848788887,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.121827968,5.525099581,1.376101611,16.0368581,4.000028482,7.893983157,3.689071735,6.799999798,4.388511245,1.723789654,1.650701333,0.148861965,1.190429513,0.434373822,1.23E-06,2.74E-33,1.17E-81,9.71E-152,1.55E-243,0,0,0,0,0,0,0,0,0,0,0,4.954600449,1.111401696,0.963886788,0.704790715,0.158096622,0.525495677,0.460110478,0.483944379,7.029888933,11.35349067,23.69107169,0.557186073,1.469550534,4.130389097,0.618961639,0.486065225,0.788932365,0.118225876,0.365247722,0.143333672,0.124326241,5.235415961,4.865046639,11.34311382,0.683398548,0.632907635,4.469912605,0.821990887,0.683121971,0.74809934,0.13757111,0.427706881,0.252405025,0.244644254,5.975025464,7.289242974,15.77421392,0.62214901,0.924756161,4.9353815,1.099934271,0.95276527,0.70625705,0.157401476,0.521424681,0.450721232,0.472971255,6.98808104,11.17883451,23.33909257,0.559385575,1.445117169,4.615952375,0.909240888,0.76778312,0.733508612,0.144485031,0.45610249,0.308588145,0.308478525,6.292976383,8.439162759,17.9545346,0.600262919,1.073169161,5.014404814,1.147081284,0.998488274,0.700338375,0.160207457,0.538265858,0.489932733,0.518863821,7.159974371,11.90410153,24.80731047,0.550507562,1.547062411,4.950534442,1.102066604,0.955725475,0.706378966,0.157251036,0.524641684,0.452333393,0.475496612,7.008326521,11.24044369,23.46303511,0.559568449,1.452471688 +UMLMON0119,L,"2,4-Dimethylhexane",CCC(C)CC(C)C,11511,Opting for Sandia/UML values,"Sandia, UML",[1],C8H18,PubChem,,69.9,0,0.1712,0.02930944,35.0595,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1362.056143,1256.231094,1068.618941,629.730194,299.881177,84.835296,9.144576,3947.642614,5029.877407,6581.332248,6822.461001,6095.416356,4638.363184,2627.730376,1061.424631,279.7536999,181.25648,180.900988,339.41734,440.170584,437.75186,374.819528,307.144612,123.32736,60.466176,30.31423229,39.56609758,56.48150844,62.14427773,57.12426502,46.08988759,29.04118186,12.01662072,4.001516144,4342.872585,3643.766351,7578.921305,10347.21917,10532.52289,9042.633905,7945.220002,3137.747111,1664.258868,40.77777778,48.5,74.58333333,91.16666667,89.25,79,55,24,9,45.09238923,49.11105724,28.37616965,19.9401761,16.96220541,11.66167026,6.664026156,4.713072,1.016064,151.8324082,201.1950963,137.1110885,108.2930318,96.75264057,85.89561452,58.39400836,58.96803508,31.08374443,6.971403077,7.23603952,7.071194583,6.986834667,6.948442222,6.94110237,6.825435822,6.85152,6.718464,1.165932011,1.582643903,1.176698093,0.986417107,0.906734365,0.853516437,0.645359597,0.66759004,0.444612905,167.033561,145.7506541,157.8941939,164.2415742,167.1829029,167.4561834,176.5604445,174.3192839,184.917652,1.568376068,1.94,1.553819444,1.447089947,1.416666667,1.462962963,1.222222222,1.333333333,1,0.03670553,-0.005844745,-0.010337872,-0.004584745,0.003186368,-0.013158062,0.009424713,-0.001765302,0.004726879,670.5194345,-58.02572029,-166.9134917,-116.0514406,-13.61097143,-256.4593563,189.837233,-17.19280601,103.1568361,1246.859521,-107.9013047,-310.3827653,-215.8026093,-25.31018258,-476.8971243,353.0104412,-31.97075694,191.8245416,0.131350154,-0.01136684,-0.032697207,-0.02273368,-0.002666296,-0.050238627,0.037187811,-0.003367953,0.020207716,5.574042193,-0.482369036,-1.387555375,-0.964738072,-0.113148292,-2.131952035,1.57812092,-0.142924159,0.857544953,30.27828566,-2.620236259,-7.537222819,-5.240472518,-0.61462332,-11.58079729,8.572377884,-0.776366299,4.658197794,3.017094017,-1.157462196,-0.320019724,-0.515779093,1.182938856,-1.650887574,1.047337278,-0.473372781,0.378698225,0.001411751,-2.34E-04,-2.15E-04,-7.28E-05,5.06E-05,-2.44E-04,2.09E-04,-9.81E-05,5.25E-04,25.78920902,-2.321028812,-3.47736441,-1.842086358,-0.216047165,-4.74924734,4.218605179,-0.95515589,11.46187067,47.95613541,-4.316052187,-6.46630761,-3.425438243,-0.40174893,-8.831428228,7.844676471,-1.776153163,21.31383796,0.005051929,-4.55E-04,-6.81E-04,-3.61E-04,-4.23E-05,-9.30E-04,8.26E-04,-1.87E-04,0.002245302,0.214386238,-0.019294761,-0.028907404,-0.015313303,-0.001796005,-0.039480593,0.035069354,-0.007940231,0.095282773,1.164549448,-0.10480945,-0.157025475,-0.083182103,-0.009755926,-0.214459209,0.190497286,-0.043131461,0.517577533,0.116042078,-0.046298488,-0.006667078,-0.00818697,0.018776807,-0.030571992,0.023274162,-0.026298488,0.042077581,-0.165602689,-0.152556872,-0.051548554,0.035825916,-0.172599686,0.148353387,-0.069468584,0.37202649,-0.09,-0.134837963,-0.071428571,-0.008377425,-0.184156379,0.163580247,-0.037037037,0.444444444,-0.09,-0.134837963,-0.071428571,-0.008377425,-0.184156379,0.163580247,-0.037037037,0.444444444,-0.09,-0.134837963,-0.071428571,-0.008377425,-0.184156379,0.163580247,-0.037037037,0.444444444,-0.09,-0.134837963,-0.071428571,-0.008377425,-0.184156379,0.163580247,-0.037037037,0.444444444,-0.09,-0.134837963,-0.071428571,-0.008377425,-0.184156379,0.163580247,-0.037037037,0.444444444,-0.39898017,-0.057453966,-0.070551733,0.161810333,-0.263456091,0.200566572,-0.226628895,0.362606232,1.70099103,1.247361376,1.02229393,0.886345971,1.15762637,0.532267913,0.882982468,0,1.625,1.316550926,1.07473545,0.93143739,1.086676955,0.50154321,0.752314815,0,1.625,1.316550926,1.07473545,0.93143739,1.086676955,0.50154321,0.752314815,0,1.625,1.316550926,1.07473545,0.93143739,1.086676955,0.50154321,0.752314815,0,1.625,1.316550926,1.07473545,0.93143739,1.086676955,0.50154321,0.752314815,0,1.625,1.316550926,1.07473545,0.93143739,1.086676955,0.50154321,0.752314815,0,2.007082153,0.93506551,0.942600836,0.70147039,1.457743154,0.506373938,1.38101983,0,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,47.5484976,23.67702658,36.65055625,47.40266426,5.925333033,23.67702658,-0.194444444,5.00E-16,6.25E-17,-28.18617854,3000010.303,375001.2878,11.93130102,0,11.89,12.11011416,-0.170392061,0.049945123,5.23605134,8.270754938,7,25,25,25,7,0,0,0,0,0,19.677726,3.534483928,3.158726067,2.863458865,2.258207362,2.18392002,1.531119992,1.33214981,0.922347198,1.9340824,1.708882991,1.522833628,1.165465255,1.091617933,0.708131295,0.62252576,0.359489416,3.561317793,3.197240258,2.910543171,2.328648091,2.253323613,1.627937686,1.442861713,1.051068945,1.875412277,1.631733601,1.432672492,1.050742388,0.975709625,0.567377651,0.473240653,0.198741368,3.679518946,3.364701014,3.114259642,2.623190037,2.546003084,2.023129484,1.884943921,1.553301492,1.703151529,1.397661851,1.154054021,0.67873749,0.601565151,0.095763495,0.035334264,0.357899068,3.581098334,3.225530555,2.945094684,2.379795041,2.303876515,1.697729238,1.522049418,1.142372637,1.838077868,1.581957035,1.374050783,0.974769584,0.899064477,0.473031062,0.37260324,0.089774408,3.737189767,3.444790866,3.210733213,2.756758609,2.679762813,2.196769962,2.074844725,1.764063352,1.64954002,1.322620074,1.063286486,0.551092445,0.474040332,0.072053907,0.220196471,0.564574256,3.563125416,3.285915969,3.063705325,2.52190925,2.401877879,1.792072835,1.627016104,1.251665728,1.840779565,1.509387149,1.244209841,0.814098537,0.769985066,0.34329841,0.235437737,0.049907801,0,0,0,0,0,3,4,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.40824829,0.552585858,0.288675135,0.40824829,0.552585858,0.288675135,6.405777394,3.808060412,2.682521985,1.562948829,1.129936127,0.288675135,0.144337567,0,0.800722174,0.54400863,0.383217426,0.260491471,0.225987225,0.144337567,0.144337567,0,6.405777394,3.808060412,2.682521985,1.562948829,1.129936127,0.288675135,0.144337567,0,0.800722174,0.54400863,0.383217426,0.260491471,0.225987225,0.144337567,0.144337567,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,61,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,6.8525,0,5.51787037,0,0,0,0.962962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.256111111,0,1.34837963,0,0,0,0.962962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.340277778,0,1.410555556,0,0,0,0.962962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.666666667,0.2,2.340277778,0.2,0.962962963,6.029152778,0.37037037,0.340277778,1.705,0.37037037,0.340277778,1.705,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.375,0.125,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.49821,1.06228,8.49821,0,0,3.80805,0.47601,3.80805,0,0,0.10595,0.01324,0.10595,0.01324,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.449311833,2.997952699,2.950063756,2.894089633,23.15278265,34.39789514,63.68210766,77.94677017,76.70165767,75.24633045,0.189448582,0.281462171,0.521081426,0.637802605,0.627614422,0.615706148,3.809948078,3.377443751,2.251127885,1.702487019,1.750375962,1.806350086,0.191756937,0.284891675,0.527430595,0.645573975,0.635261652,0.623208281,6.648700044,11.83875197,15.82968534,15.53706742,16.33435566,14.29071062,31.72521615,24.13720728,21.55143116,21.17512302,20.33135472,18.84404937,8,5.142857143,5,8,0,7,2.34,1.2358,0.655185349,4.813703899,1.44224957,0,2.941682753,2.828427125,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.538,7,6,5,2,1,0,0,0,0,36,2.079441542,2.079441542,1.945910149,1.791759469,1.098612289,0.693147181,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,7,1,0,3,6,1,1.5,0.666666667,0.375,0.08,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.0625,0.016,0.027777778,0,0,0,0,0,0.415801587,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,0,146.9243357,4,3.36729583,4.007333185,4.709530201,5.370638028,6.084499413,6.751101469,7.467942332,8.135932772,8.853522561,69.74779579,2.708050201,0,3.761200116,0,4.990432587,0,6.304448802,0,7.656810091,7.96241568,114.1408506,4.390032714,14.6584741,1.832309262,0,0,0,75,6,4.831,28,1.2278,2.11761443,2.868995454,3.539278481,4.498648379,5.533468565,7.18179224,8.149714457,0,0,71.2221278,68.08752346,66.16278356,74.38123794,64.34094545,45.61131578,36.17614296,8.28063147,0,0,272.5498825,313.605011,335.0969615,386.8582916,430.6343555,359.5416045,441.0536558,253.3236414,0,0,8.919363223,15.02844115,20.09578731,24.70704828,31.36729715,37.89712103,49.28997252,54.75356319,0,0,2.081648384,2.634998592,2.975411712,3.490821247,4.140921601,3.828307983,4.934891604,3.623468219,0,0,176.77647,330.4239685,467.6398063,583.2624786,742.5233106,967.0484853,1245.251567,1507.026062,0,0,2.440753333,3.391076992,4.246726094,5.232301433,6.862767084,7.050261747,9.785607939,8.149714457,0,0,0.4321989,0.557170835,0.636008304,0.748529724,0.895874319,0.844370063,1.093700566,0.83453076,0,0,413.1513735,185.0067345,10.05125475,142.7768776,-63.93463895,-8.686500947,270.3744958,248.9413735,18.7377557,0.743173913,0.33278887,0.018080129,0.256826087,-0.115005199,-0.015625219,229.6825205,102.8504704,5.587776474,79.37369988,-35.54307202,-4.829071279,0.066175841,0.145510949,0.944244624,9.472574837,555.9282511,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,713.4812626,26.71107004,8.93567828,1.910406936,1.910406936,723.9846179,671.6417839,93.29786241,1.077932665,7.759927175,7.198897879,4.431211399,4.466158665,8.836778877,0.978608361,5.020209962,6.639728116,2.866163207,24.32112914,9.403257044,6.009815998,7.079127333,9.442500637,11.10889945,3.728602491,3.632504051,7.56102821,4.322884441,0.860264763,2.474850258,0.241081057,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.421311435,6.639327266,0.184339015,7.458642858,1.057465414,0.177347239,0.600382346,0.508825504,3.202275592,0.063405831,0.028442469,0.341267531,0.148779883,0.859561027,0.112752628,0.00169802,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.360044669,6.63935476,0.632099406,9.325651685,1.624157269,0.787877199,1.537158974,1.749009115,4.285247395,0.369090962,0.272629812,1.269832108,0.621296789,0.859696005,0.426540802,0.017694156,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,4.738668689,6.639684357,2.66672847,22.7316426,8.490149494,5.447571208,6.546064753,8.689210486,10.43703308,3.347694212,3.237997185,6.926186278,3.933091809,0.860218614,2.270681911,0.214798927,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,2.004455605,6.639389765,0.969063133,11.0749401,2.350731365,1.379201255,2.294741161,2.773570897,5.186320275,0.710309649,0.586186897,2.069126672,1.058348264,0.859791238,0.691937989,0.038433908,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,6.062630571,6.639911958,3.644610107,30.83891522,13.24073322,8.324527809,9.20773375,12.46592055,13.80978338,5.316659697,5.290600372,10.13053265,5.918549787,0.860439114,3.298422411,0.351593848,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,3.145998243,5.861721594,1.441187922,14.1479237,4.113308525,2.790803851,3.396508037,4.437458522,7.071024033,1.429440683,1.313090613,4.009919709,1.836415948,1.238209101,1.337303337,0.086789491,0.05015848,5.68E-20,1.24E-59,5.23E-121,4.25E-204,0.00E+00,0,0,0,0,0,0,0,0,6.6874255,1.148008599,0.587119941,0.793990216,0.13630172,0.505723297,0.426362491,0.42870124,8.42255404,12.27756159,25.20756575,0.690985324,1.360787028,5.704735851,0.637965703,0.179975959,0.874600322,0.097807335,0.368015513,0.131593489,0.040184237,6.522677513,4.780959611,11.95864628,0.811900483,0.53979324,6.109760955,0.848181415,0.347787747,0.836297106,0.116098104,0.422127343,0.232663842,0.150229542,7.305730116,7.60207279,16.71010359,0.754445659,0.805020728,6.664530653,1.136125257,0.57763453,0.79545233,0.13560347,0.502266469,0.417576575,0.414941744,8.37829044,12.07766981,24.82965965,0.693178495,1.334784788,6.283877301,0.938552701,0.4199268,0.822243382,0.122809328,0.446529792,0.284913233,0.219109969,7.642356802,8.930641932,19.04962202,0.733365073,0.950552993,6.758662913,1.184983741,0.616633767,0.78953756,0.138428145,0.51655506,0.454285498,0.472952483,8.560280422,12.90722643,26.40606852,0.684306339,1.44379304,6.687124622,1.140193908,0.578577182,0.795527907,0.135642167,0.505677791,0.420527754,0.416114854,8.405895712,12.15332665,24.9706528,0.69329186,1.342320399 +UMLMON0120,L,4-Methylheptane,CCCC(C)CCC,11512,,"Sandia, UML",[1],C8H18,PubChem,,39,0,-0.3724,0.13868176,33.5193,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1362.056143,1256.231094,947.552932,684.250059,357.282745,93.979872,9.144576,3947.642614,5029.877407,6581.332248,6822.461001,5870.288943,4361.573366,2849.893908,1341.178331,279.7536999,181.25648,180.900988,339.41734,440.170584,437.728144,372.448236,249.073444,183.793536,60.466176,30.31423229,39.56609758,56.48150844,62.14427773,56.11784073,43.08272344,29.05325415,16.01813686,4.001516144,4342.872585,3643.766351,7578.921305,10347.21917,10527.05597,9238.871444,6090.190508,4802.005979,1664.258868,40.77777778,48.5,74.5,91.91666667,89.58333333,72,52,33,9,45.09238923,49.11105724,28.37616965,19.9401761,15.04052273,12.67129739,9.924520694,3.480736,1.016064,151.8324082,201.1950963,137.1110885,108.2930318,93.17918957,80.76987715,79.16371966,49.67327153,31.08374443,6.971403077,7.23603952,7.071194583,6.986834667,6.948065778,6.897189556,6.918706778,6.807168,6.718464,1.165932011,1.582643903,1.176698093,0.986417107,0.890759377,0.797828212,0.807034838,0.593264328,0.444612905,167.033561,145.7506541,157.8941939,164.2415742,167.0961266,171.0902119,169.1719586,177.8520733,184.917652,1.568376068,1.94,1.552083333,1.458994709,1.421957672,1.333333333,1.444444444,1.222222222,1,0.036687857,-0.005850972,-0.010022378,-0.003618442,-0.00622156,0.006410055,-0.006826659,0.00305778,0.004728247,670.5194345,-58.02572029,-166.9134917,-116.0514406,-134.6769804,88.11313081,-136.8260812,85.96403006,103.1568361,1246.859521,-107.9013047,-310.3827653,-215.8026093,-250.437596,163.8501293,-254.4339406,159.8537847,191.8245416,0.131350154,-0.01136684,-0.032697207,-0.02273368,-0.026382296,0.017260757,-0.02680329,0.016839763,0.020207716,5.574042193,-0.482369036,-1.387555375,-0.964738072,-1.119572577,0.732486314,-1.137438097,0.714620794,0.857544953,30.27828566,-2.620236259,-7.537222819,-5.240472518,-6.081536008,3.978877282,-6.178581796,3.881831495,4.658197794,3.017094017,-1.157462196,-0.403353057,0.234220907,-0.893984221,0.990138067,-0.562130178,-0.094674556,0.378698225,0.001411071,-2.34E-04,-2.09E-04,-5.74E-05,-9.88E-05,1.19E-04,-1.90E-04,1.13E-04,5.25E-04,25.78920902,-2.321028812,-3.47736441,-1.842086358,-2.137729848,1.631724645,-3.800724477,3.183852965,11.46187067,47.95613541,-4.316052187,-6.46630761,-3.425438243,-3.975199937,3.034261654,-7.067609462,5.920510544,21.31383796,0.005051929,-4.55E-04,-6.81E-04,-3.61E-04,-4.19E-04,3.20E-04,-7.45E-04,6.24E-04,0.002245302,0.214386238,-0.019294761,-0.028907404,-0.015313303,-0.017770993,0.013564561,-0.031595503,0.026467437,0.095282773,1.164549448,-0.10480945,-0.157025475,-0.083182103,-0.096532318,0.073682913,-0.171627272,0.143771537,0.517577533,0.116042078,-0.046298488,-0.008403189,0.003717792,-0.014190226,0.01833589,-0.015614727,-0.003506465,0.042077581,-0.165858993,-0.147972343,-0.040703534,-0.069985771,0.084123825,-0.134386823,0.08025896,0.372313411,-0.09,-0.134837963,-0.071428571,-0.082892416,0.063271605,-0.147376543,0.12345679,0.444444444,-0.09,-0.134837963,-0.071428571,-0.082892416,0.063271605,-0.147376543,0.12345679,0.444444444,-0.09,-0.134837963,-0.071428571,-0.082892416,0.063271605,-0.147376543,0.12345679,0.444444444,-0.09,-0.134837963,-0.071428571,-0.082892416,0.063271605,-0.147376543,0.12345679,0.444444444,-0.09,-0.134837963,-0.071428571,-0.082892416,0.063271605,-0.147376543,0.12345679,0.444444444,-0.39898017,-0.072415014,0.032038311,-0.122285175,0.158010702,-0.134560907,-0.030217186,0.362606232,1.701005683,1.243712962,1.019979853,1.01173157,0.737966568,1.085044799,0.587666981,1.55E-08,1.625,1.316550926,1.07473545,1.00308642,0.752314815,1.00308642,0.50154321,0,1.625,1.316550926,1.07473545,1.00308642,0.752314815,1.00308642,0.50154321,0,1.625,1.316550926,1.07473545,1.00308642,0.752314815,1.00308642,0.50154321,0,1.625,1.316550926,1.07473545,1.00308642,0.752314815,1.00308642,0.50154321,0,1.625,1.316550926,1.07473545,1.00308642,0.752314815,1.00308642,0.50154321,0,2.007082153,0.949451133,0.843956563,1.096047484,0.639361032,1.323477337,0.920679887,0,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,47.96663102,23.88609329,37.51282513,47.82079768,5.97759971,23.88609329,-0.194444444,0.060698617,0.007587327,-2.241467498,35.64509479,4.455636849,2.858889235,0,11.89,12.11011416,-0.169148038,0.051292578,5.166289279,8.113568415,7,25,25,25,7,0,0,0,0,0,19.677726,3.529332072,3.195058212,2.755948403,2.493452742,1.932218273,1.680731392,1.269169757,0.928548971,1.932088946,1.726147067,1.463914318,1.297442762,0.942332832,0.805586637,0.584415686,0.361147009,3.556432943,3.231889696,2.807379492,2.553674276,2.012096203,1.772383688,1.382536173,1.056628289,1.873069446,1.651027204,1.368654208,1.192497264,0.817048643,0.669802562,0.432936305,0.200673912,3.675722176,3.39262472,3.028395679,2.809477666,2.343851464,2.147975038,1.834301705,1.55684911,1.699553822,1.424380432,1.071266037,0.858468533,0.405912101,0.217306605,0.084406134,0.354631252,3.576405821,3.258975059,2.845042021,2.597623259,2.069990728,1.838528324,1.463572979,1.147508447,1.835492375,1.602666577,1.306472481,1.123476362,0.733706474,0.578968445,0.33072767,0.091918289,3.733867456,3.469855466,3.132152305,2.927680647,2.492786237,2.313882392,2.02785299,1.76697975,1.645481618,1.352139987,0.973335194,0.746246752,0.263045205,0.057265899,0.272993978,0.560622017,3.561114388,3.312388402,2.974505452,2.720785426,2.176744083,1.938015646,1.568048103,1.255846921,1.836041573,1.536097577,1.168687512,0.97669752,0.597809945,0.445731481,0.193535411,0.047152599,0,0,0,0,0,3,4,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.49279928,0.348461713,0.288675135,0.49279928,0.348461713,0.288675135,6.405777394,3.808060412,2.655648531,1.747400241,0.756710003,0.49279928,0.144337567,0,0.800722174,0.54400863,0.379378362,0.291233373,0.189177501,0.164266427,0.144337567,0,6.405777394,3.808060412,2.655648531,1.747400241,0.756710003,0.49279928,0.144337567,0,0.800722174,0.54400863,0.379378362,0.291233373,0.189177501,0.164266427,0.144337567,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,63,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,6.845601852,0,5.534074074,0,0,0,0.953657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.252361111,0,1.347222222,0,0,0,0.953657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.329027778,0,1.423611111,0,0,0,0.953657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.666666667,0.2,2.329027778,0.2,0.953657407,6.030028102,0.379675926,0.329027778,1.691203704,0.379675926,0.329027778,1.691203704,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.375,0.125,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.4771,1.05964,8.4771,0,0,3.80805,0.47601,3.80805,0,0,0.10595,0.01324,0.10595,0.01324,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.52623491,3.228721929,2.99894622,2.586397325,23.15278265,34.39789514,65.68210766,83.94677017,77.97260171,67.24633045,0.189448582,0.281462171,0.537446507,0.686897849,0.638013973,0.550245824,3.809948078,3.377443751,2.174204808,1.471717789,1.701493498,2.114042393,0.191756937,0.284891675,0.543995078,0.695267424,0.645787918,0.556950349,6.648700044,11.83875197,16.75276226,16.61519435,14.89977214,13.66146233,31.72521615,24.13720728,20.30507436,19.405554,22.41087485,20.30924766,8,5.142857143,5,8,0,7,2.34,1.2358,0.66943295,4.653771984,1.5,0,3.14734519,2.555772417,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.538,7,6,4,3,1,0,0,0,0,36,2.079441542,2.079441542,1.945910149,1.609437912,1.386294361,0.693147181,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,7,1,0,3,6,1,1.5,0.666666667,0.25,0.16,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.041666667,0.04,0.018518519,0,0,0,0,0,0.409708995,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,0,146.9243357,4,3.36729583,4.007333185,4.691347882,5.361292166,6.052089169,6.72982407,7.422373701,8.102586425,8.795582217,69.52972465,2.708050201,0,3.761200116,0,4.990432587,0,6.289715571,0,7.623153068,7.934871566,114.1408506,4.390032714,14.66013744,1.832517181,0,0,0,76,6,4.831,28,1.2278,2.11761443,2.868995454,3.539523979,4.46758982,5.700746328,6.680694242,8.149714457,0,0,71.2221278,68.08752346,66.16278356,65.99938978,70.3185958,65.85283058,26.04066785,8.28063147,0,0,272.5498825,313.605011,335.0969615,370.6874305,408.7154135,487.6108124,352.8720999,253.3236414,0,0,8.919363223,15.02844115,20.09578731,24.70332923,30.95744607,39.56372487,45.57691037,54.75356319,0,0,2.081648384,2.634998592,2.975411712,3.415836306,3.883087002,4.852306451,4.131505603,3.623468219,0,0,176.77647,330.4239685,467.6398063,583.2325182,753.5137586,955.0537652,1180.185899,1507.026062,0,0,2.440753333,3.386759232,4.287736567,5.216119002,6.242004258,8.505067865,8.416571375,8.149714457,0,0,0.4321989,0.557170835,0.636008304,0.734620575,0.840366416,1.055921242,0.922959784,0.83453076,0,0,411.7576844,184.3877974,10.06620015,164.9796256,-73.87896065,-9.897244497,246.7780589,258.266758,19.96344464,0.713943207,0.31970846,0.0174537,0.286056793,-0.128098112,-0.017160749,237.4760193,106.3433222,5.805553194,95.14990545,-42.60875303,-5.708110167,0.066159019,0.145522232,1.031818969,9.66552143,576.73731,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,711.0423586,26.66537753,8.925485001,2.177133727,2.177133727,737.5840449,692.676222,87.22342175,1.064832344,8.45626129,7.941401611,4.41802835,4.466158665,8.836778877,0.978608361,5.020209962,6.63970304,2.819805568,27.05115841,9.814810798,5.557618818,6.176446412,11.52650365,9.906275282,2.965143202,3.453423711,7.897847759,4.730372909,0.860264837,2.474850258,0.241081057,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.421311435,6.639327089,0.184012514,7.480973735,1.060371448,0.171970881,0.648379071,0.51634133,3.133746187,0.100904141,0.074443128,0.343650662,0.151649858,0.859561027,0.112752628,0.00169802,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.360044669,6.63935292,0.628697017,9.533992743,1.654382069,0.749058106,1.610679945,1.923775497,4.015222215,0.422986663,0.380911383,1.294580719,0.651204137,0.859696011,0.426540802,0.017694156,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,4.738668689,6.639662015,2.625424649,25.16618618,8.856841594,5.043162687,5.779262996,10.55531418,9.314449379,2.696908065,3.11098247,7.226293925,4.296156698,0.86021868,2.270681911,0.214798927,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,2.004455605,6.639385768,0.961672691,11.51984881,2.416365392,1.300273767,2.320586526,3.139340803,4.769067789,0.722048607,0.705088196,2.12285718,1.12331102,0.85979125,0.691937989,0.038433908,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,6.062630571,6.639875388,3.577001848,34.81028503,13.84092147,7.672188774,7.713754367,15.45977856,12.29875627,4.063765066,4.875273201,10.6217168,6.512833422,0.860439222,3.298422411,0.351593848,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,3.145998243,5.861712567,1.424499169,15.26715871,4.439264277,2.615559503,3.508301107,5.447476416,6.181935189,1.340315023,1.469931102,4.13122571,1.983111796,1.238209127,1.337303337,0.086789491,0.05015848,5.68E-20,1.24E-59,5.23E-121,4.25E-204,0.00E+00,0,0,0,0,0,0,0,0,6.859036214,1.063208596,0.59753924,0.805071604,0.124792904,0.524217609,0.435615098,0.455994453,8.51978405,12.02643841,24.90382891,0.707607407,1.41582716,5.883112773,0.580735175,0.185302295,0.884791674,0.087339758,0.385594143,0.129739886,0.043768825,6.649150243,4.614296384,11.89653758,0.827187511,0.559102854,6.285341935,0.779591919,0.355216321,0.847063979,0.10506417,0.440152396,0.233982433,0.160981009,7.420150175,7.409581593,16.57029237,0.770595969,0.835115838,6.836298367,1.05196792,0.587935464,0.80652851,0.12410841,0.520745917,0.426437616,0.441439069,8.476201751,11.82935807,24.53373686,0.709792765,1.388622602,6.458259546,0.865078231,0.428257757,0.833152287,0.111600022,0.464716969,0.288198351,0.234068909,7.751595534,8.723175956,18.86740464,0.74972843,0.986984229,6.929785301,1.098183988,0.627421271,0.800632306,0.126878618,0.535093656,0.464797435,0.502795779,8.655390561,12.64709796,26.07727686,0.700948459,1.50268687,6.859568803,1.054489552,0.58909637,0.806708689,0.124011568,0.524302949,0.428368685,0.442778689,8.503154726,11.89548669,24.65977789,0.710063034,1.395450323 +UMLMON0121,L,3-Methylheptane,CCCCC(C)CC,11519,Opting for Sandia/UML values,"Sandia, UML",[1],C8H18,PubChem,,35,0,1.2892,1.66203664,34.8778,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1516.485775,692.383442,274.650937,78.738912,9.144576,0,3885.475125,5223.921076,7758.63172,8237.925345,5532.482072,2367.173399,874.9221648,279.7536999,0,167.819552,174.20624,341.883496,485.2951,497.348552,286.190884,83.016576,60.466176,0,29.42500648,40.12790896,63.51436973,73.84555631,56.76864549,26.36948034,9.348943289,4.001516144,0,3973.037281,3464.315612,7404.551417,11080.65075,12243.97122,7454.057255,2028.241198,1664.258868,0,36.55555556,44.5,75.16666667,102.9444444,94,49,18,9,0,48.76541633,56.15943233,37.32917321,21.97805471,9.616436694,6.539308024,6.561576,1.016064,0,161.8947969,217.6633782,161.6381608,119.3902224,76.84002878,56.3612714,72.9101804,31.08374443,0,6.992481333,7.258593333,7.122572833,7.033262319,6.907618778,6.814068667,6.918048,6.718464,0,1.226041937,1.671996207,1.323216036,1.070225454,0.78845341,0.62784477,0.779078607,0.444612905,0,165.54322,144.3464838,154.2614879,160.5891412,170.0551559,177.4775537,169.0200999,184.917652,0,1.523148148,1.854166667,1.565972222,1.49194847,1.305555556,1.166666667,1.5,1,0,0.032184881,-0.002794163,-0.003374751,-0.017556483,-0.008175392,0.015521998,-0.004542298,0.004828648,0,645.6853813,6.32E-13,-80.71067267,-403.5533633,-161.4213453,282.4873543,-80.71067267,121.066009,0,1200.679538,-5.68E-14,-150.0849423,-750.4247115,-300.1698846,525.297298,-150.0849423,225.1274134,0,0.126485333,2.94E-15,-0.015810667,-0.079053333,-0.031621333,0.055337333,-0.015810667,0.023716,0,5.367596186,1.20E-14,-0.670949523,-3.354747616,-1.341899046,2.348323331,-0.670949523,1.006424285,0,29.15686767,-1.15E-13,-3.644608459,-18.22304229,-7.289216918,12.75612961,-3.644608459,5.466912688,0,2.314814815,-0.888888889,0.314814815,-0.872685185,-0.759259259,1.421296296,-0.712962963,0.340277778,0,0.001341037,-1.16E-04,-7.03E-05,-2.54E-04,-1.14E-04,3.70E-04,-3.79E-04,5.37E-04,0,26.90355756,2.63E-14,-1.681472347,-5.848599469,-2.24196313,6.725889389,-6.725889389,13.45177878,0,50.0283141,-2.37E-15,-3.126769631,-10.87572046,-4.169026175,12.50707852,-12.50707852,25.01415705,0,0.005270222,1.22E-16,-3.29E-04,-0.0011457,-4.39E-04,0.001317556,-0.001317556,0.002635111,0,0.223649841,5.02E-16,-0.013978115,-0.048619531,-0.018637487,0.05591246,-0.05591246,0.111824921,0,1.214869486,-4.81E-15,-0.075929343,-0.264102062,-0.101239124,0.303717372,-0.303717372,0.607434743,0,0.096450617,-0.037037037,0.006558642,-0.012647611,-0.010545267,0.033840388,-0.05941358,0.037808642,0,-0.086816021,-0.052427578,-0.18973514,-0.084671142,0.275586333,-0.28226284,0.400075908,0,9.79E-16,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,-4.73E-17,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,2.32E-14,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,2.24E-15,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,-3.96E-15,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,-0.384,0.068,-0.131130435,-0.109333333,0.350857143,-0.616,0.392,0,1.523968426,1.160656604,1.242993329,0.924081426,0.372814716,1.312885028,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.909,0.7935,1.144,0.973666667,0.315428571,2.484,0,0,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,36.37046045,18.09495245,27.0767301,36.23504379,4.529380473,18.0949525,-0.180555556,4.44E-16,5.55E-17,-28.28040497,32.36841845,4.046052306,2.781746567,0,11.9,12.10012615,-0.149968906,0.050155463,5.91796875,7.969458799,8,24,24,24,8,0,0,0,0,0,17.491312,3.655766806,3.083686372,2.750129472,2.44126965,1.98485383,1.456797487,1.048635851,0.862362243,2.009462833,1.609084769,1.372874417,1.28028651,0.944510797,0.666206401,0.389383891,0.340307529,3.679464424,3.118291847,2.792995694,2.504797867,2.060065054,1.556142907,1.161811883,0.99706418,1.957193507,1.532051243,1.285229005,1.171855019,0.8242471,0.522081792,0.233630849,0.177034125,3.78376187,3.273013991,2.981537655,2.773435551,2.373411403,1.9628467,1.619577835,1.517277249,1.804623849,1.304234134,1.018928274,0.824648026,0.432252462,0.037619229,0.297324512,0.39146662,3.696923778,3.143950862,2.824624264,2.551095198,2.114622617,1.62787375,1.243233128,1.092231731,1.92402584,1.482803942,1.228596505,1.100379875,0.744460974,0.425347018,0.128567758,0.066155451,3.834691516,3.349275902,3.072480534,2.896868808,2.514757382,2.141548494,1.817637207,1.733584328,1.75730828,1.233507639,0.933903671,0.707223716,0.296913179,0.135164289,0.489848852,0.604157756,3.69204087,3.236430581,2.849225422,2.747143852,2.240598706,1.744477468,1.36150057,1.245632369,1.913033002,1.380144269,1.1655301,0.892837838,0.586754488,0.270278054,0.030577606,0.113581886,0,0,0,0,0,2,4,2,0,0,0,0,0.083333333,0.166666667,0,0,0,0.083333333,0.166666667,0.577350269,0,0,0,0.577350269,0,0,0,0.816496581,0.760079655,1.138071187,0.816496581,0.760079655,1.138071187,5.983127663,3.7876937,3.365043969,2.304530453,1.426746322,1.304737854,0.333333333,0,0.747890958,0.473461713,0.336504397,0.230453045,0.142674632,0.108728155,0.083333333,0,5.983127663,3.7876937,3.365043969,2.304530453,1.426746322,1.304737854,0.333333333,0,0.747890958,0.473461713,0.336504397,0.230453045,0.142674632,0.108728155,0.083333333,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,30.70152702,40.30404889,61.40305404,7.675381755,30.70152702,0.094421893,0.011802737,-1.887985849,23.37145629,2.921432036,2.521212369,58,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.733888889,0,5.893518519,0,0,0,2.039259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.366944444,0,1.47337963,0,0,0,1.01962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.366944444,0,1.47337963,0,0,0,1.01962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.366944444,0.2,1.01962963,5.752401111,0.313703704,0.366944444,1.467777778,0.313703704,0.366944444,1.467777778,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.39431,1.04929,8.39431,0,0,3.78768,0.47346,3.78768,0,0,0.12632,0.01579,0.21232,0.02654,0.25,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.355388542,2.188721876,2.084962501,2.355388542,22.03910002,34.03910002,56.52932501,52.52932501,50.03910002,56.52932501,0.200284263,0.309336409,0.51372035,0.477369635,0.45473927,0.51372035,3.666666667,3.166666667,2.229573959,2.396240625,2.5,2.229573959,0.200284263,0.309336409,0.51372035,0.477369635,0.45473927,0.51372035,6.73287657,12.73287657,13.67730206,11.67730206,13.40475992,13.67730206,31.59900002,23.74937501,25.33383542,28.50376042,25.96290834,25.33383542,6.125,2.52,1.8,0,0,0,2.34,1.1272,0.2,3.265986324,2,0,3.301927249,5.656854249,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,10,10,12,4,0,0,0,0,62,2.197224577,2.397895273,2.397895273,2.397895273,2.564949357,1.609437912,0,0,0,0,4.143134726,1,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,5,0.666666667,2,0.888888889,0.25,0.302222222,0,0,0,0,0,0,0.25,0.088888889,0.035714286,0.151111111,0,0,0,0,0,0,0.525714286,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,0,134.567877,4,3.610917913,4.343805422,5.129898715,5.888877958,6.670766321,7.438971592,8.217438538,8.989319566,9.765890765,76.05588679,2.833213344,0,4.043051268,0,5.451038454,0,6.940222469,0,8.463159303,8.712924435,112.1252005,4.671883355,15.53282921,1.941603651,0,0,0,62,7,4.43,36,1.224166127,2.094798552,2.82656971,3.506154152,4.094152582,4.693536152,5.363830398,0,0,0,78.54273178,87.22116534,65.92326671,34.54950735,28.44780847,32.54373606,5.449994969,0,0,0,289.3400736,362.9374319,352.5785436,273.9466147,234.4065243,355.381183,166.7279333,0,0,0,8.917064339,14.96972448,19.93143019,24.2381409,27.90156847,32.53297395,36.03670143,0,0,0,2.17096299,2.916040913,3.130286752,2.798675984,2.589360106,3.761984613,2.384828214,0,0,0,174.752874,319.6818132,449.9652141,594.7476774,726.4189345,788.2944908,991.866923,0,0,0,2.314325495,3.369627379,4.298678651,4.616683582,4.80951116,7.197795718,5.363830398,0,0,0,0.449298446,0.611694975,0.668054201,0.61184664,0.574989934,0.825204218,0.549256233,0,0,0,322.5837079,132.7125234,8.265006903,103.4346146,-42.55350899,-5.576661616,219.1490932,175.2660324,13.84166852,0.757206183,0.311518346,0.01940059,0.242793817,-0.09988657,-0.013090192,137.4265701,56.53796658,3.521044376,44.06504102,-18.12857452,-2.375760027,0.072029729,0.151474141,1.000683555,1.257605575,426.0183225,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,953.5049109,30.87887483,9.842550341,1.426147299,1.244647151,334.3919452,284.8973579,145.3027614,1.173727786,2.301346113,1.960715372,3.668354502,3.898790099,6.288840458,0.613023604,4.463030152,5.745298896,9.55497363,13.96362463,18.00146,11.87690117,11.9841974,5.329056094,8.23265695,0.006095332,1.3124671,0.011608965,1.09E-22,1.96E-64,6.85E-128,4.61E-213,5.981E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375119016,5.572299922,0.568812495,5.08323662,2.082131923,1.369235279,1.049144739,0.286667208,0.231181307,4.38E-04,0.00929553,8.18E-05,7.65E-25,1.38E-66,4.82E-130,3.25E-215,4.2E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,1.209548647,5.583860927,1.965362255,6.223271142,4.529394214,2.926458704,2.249542795,0.816226742,1.0492052,0.001461295,0.09646053,8.52E-04,7.97E-24,1.44E-65,5.03E-129,3.38E-214,4.39E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212771097,5.726305431,8.849997401,13.18201518,16.74309413,11.0257506,10.94978734,4.843587516,7.454404654,0.005702571,1.169420167,0.010343378,9.67E-23,1.75E-64,6.10E-128,4.11E-213,5.329E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,1.782358484,5.598849587,3.054017212,7.205590433,6.447556392,4.169918882,3.379905373,1.328123897,1.852816927,0.002202986,0.209397898,0.001850728,1.73E-23,3.13E-65,1.09E-128,7.35E-214,9.535E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389626864,5.825163655,12.3410037,17.12775655,22.98285151,15.26435937,16.22855277,7.327244896,11.44164018,0.00760223,1.913941231,0.016930584,1.58E-22,2.86E-64,9.99E-128,6.72E-213,8.7227E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,2.967224414,5.111836721,5.150767528,9.761240052,10.2274532,7.121915049,6.467548924,2.848369428,4.142302887,0.004479022,0.523800916,0.004630723,4.33E-23,7.83E-65,2.73E-128,1.84E-213,2.386E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,2.860439142,1.404774445,0.918608677,0.551801161,0.270992016,0.46148101,0.498458458,0.475363433,5.183822264,7.936334017,16.81137563,0.327701741,1.4353029,2.115485183,0.86856724,0.428570359,0.619900094,0.254516041,0.254274819,0.189846748,0.104550325,3.412622782,3.116317546,7.316413131,0.429850141,0.548671892,2.4104981,1.081380827,0.624206799,0.585628741,0.262720677,0.328892773,0.294720739,0.221584426,4.116085725,4.786320995,10.52950563,0.378443111,0.845197939,2.841916266,1.391484983,0.906571107,0.552904971,0.270718379,0.455572044,0.489028588,0.46323125,5.139972355,7.79236306,16.51735618,0.329357456,1.407831881,2.542383791,1.1763066,0.710957722,0.573947123,0.265553057,0.365397038,0.348964935,0.286895314,4.429648113,5.634454483,12.19030899,0.360920685,1.001257286,2.918451816,1.446384515,0.95626829,0.548467287,0.271820349,0.480239001,0.528571186,0.514256639,5.321104621,8.395158088,17.75286578,0.322700931,1.523066825,2.857087733,1.392467197,0.909098066,0.553843752,0.269928448,0.460330435,0.489744147,0.465362539,5.158652995,7.841663113,16.61707271,0.330765629,1.415437121 +UMLMON0122,L,"1,4-Dimethylcyclohexane",CC1CCC(CC1)C,11523,Sandia Ron value was averaged but one of those values was the same value as UML and the other value is unclear so we should go with UML sensitivity ,"Sandia, UML",[1],C8H16,PubChem,,62.2,0,1.3819,1.90964761,32.8025,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1410.479624,1071.500644,702.539211,236.216736,27.433728,0,0,3461.958223,4376.887272,6118.039963,6594.369706,4921.080766,2624.766494,839.2610996,0,0,160.279036,159.125208,296.735264,382.051984,493.380588,249.049728,181.398528,0,0,26.63610648,34.55010896,50.80666687,60.14350145,51.08575573,28.04682987,12.00454843,0,0,3846.242925,3210.7269,6665.652931,8481.255853,12567.38918,6084.723595,4992.776605,0,0,38.0625,44.625,68.125,94,92.25,54,27,0,0,44.61329874,48.14991518,33.58284819,19.84260452,9.757489042,6.561576,1.016064,0,0,150.5199227,198.9494215,145.6676182,122.1179575,68.34834397,72.9101804,31.08374443,0,0,6.968653739,7.232964,7.065125333,7.075036741,6.852508167,6.918048,6.718464,0,0,1.158091586,1.570459498,1.209682544,1.113768545,0.709524385,0.779078607,0.444612905,0,0,167.2279533,145.9421318,158.7060222,157.0602936,174.5470719,169.0200999,184.917652,0,0,1.654891304,2.028409091,1.62202381,1.740740741,1.28125,1.5,1,0,0,0.031308089,-0.007806788,0.009954919,-0.035290689,0.018020307,-0.015105076,0.014573283,0,0,589.5388264,-58.58770946,113.0559706,-678.7935401,286.3016583,-259.5252442,302.7794516,0,0,1096.272622,-108.9463475,210.232405,-1262.245573,532.3901592,-482.5982738,563.0313194,0,0,0.115486609,-0.01147693,0.022146888,-0.132970994,0.056084529,-0.050839214,0.059312416,0,0,4.900848691,-0.487040864,0.939836667,-5.642825007,2.380031721,-2.157438826,2.517011964,0,0,26.62148787,-2.645613702,5.10520769,-30.651915,12.92837008,-11.71924194,13.67244894,0,0,3.364130435,-2.02221172,2.519848771,-4.167414934,2.813917769,-2.232986767,1.406781664,0,0,0.001361221,-3.55E-04,2.37E-04,-6.54E-04,2.50E-04,-4.20E-04,5.40E-04,0,0,25.63212289,-2.663077703,2.691808824,-12.57025074,3.976411921,-7.209034562,11.21405376,0,0,47.66402704,-4.952106706,5.005533452,-23.37491802,7.394307767,-13.40550761,20.85301183,0,0,0.005021157,-5.22E-04,5.27E-04,-0.002462426,7.79E-04,-0.0014122,0.002196756,0,0,0.213080378,-0.022138221,0.022377063,-0.104496759,0.033055996,-0.059928856,0.093222665,0,0,1.157455995,-0.120255168,0.121552564,-0.567628056,0.179560696,-0.325534498,0.506386998,0,0,0.146266541,-0.091918715,0.059996399,-0.077174351,0.039082191,-0.06202741,0.052103025,0,0,-0.260687952,0.174124426,-0.480106583,0.183865802,-0.308241911,0.396519835,0,0,-0.103896104,0.105017007,-0.490410053,0.155133929,-0.28125,0.4375,0,0,-0.103896104,0.105017007,-0.490410053,0.155133929,-0.28125,0.4375,0,0,-0.103896104,0.105017007,-0.490410053,0.155133929,-0.28125,0.4375,0,0,-0.103896104,0.105017007,-0.490410053,0.155133929,-0.28125,0.4375,0,0,-0.103896104,0.105017007,-0.490410053,0.155133929,-0.28125,0.4375,0,0,-0.628432956,0.410185399,-0.527628194,0.267198438,-0.424071082,0.356219709,0,0,1.799361069,0.862060939,1.685310403,0.547746638,1.29890239,9.23E-05,0,0,1.642857143,1.075680272,1.673280423,0.564732143,1.129464286,0,0,0,1.642857143,1.075680272,1.673280423,0.564732143,1.129464286,0,0,0,1.642857143,1.075680272,1.673280423,0.564732143,1.129464286,0,0,0,1.642857143,1.075680272,1.673280423,0.564732143,1.129464286,0,0,0,1.642857143,1.075680272,1.673280423,0.564732143,1.129464286,0,0,0,2.229402262,0.428186784,1.843041345,0.383178514,1.634894992,0,0,0,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,36.3946862,18.08067644,27.80994209,36.22801954,5.175431363,18.08067647,-0.233333333,0.127721323,0.018245903,-1.440533189,20.26240464,2.894629234,2.106137027,0,11.89,12.11009426,-0.159452624,0.061766663,5.284182967,8.590248746,6,22,22,22,6,0,0,0,0,0,17.491312,3.559019746,3.043630064,2.333552793,2.333552793,2.205224195,1.392743986,0.464923411,0.083923071,1.936237422,1.635934057,1.249629723,1.249629723,1.112240326,0.645437315,0.083923071,0.083923071,3.583497694,3.085294105,2.405454588,2.405454588,2.27490309,1.498421471,0.569930782,0.270913902,1.879388158,1.553533088,1.134540686,1.134540686,0.99676252,0.498707768,0.270913902,0.270913902,3.692938747,3.266372735,2.704236987,2.704236987,2.567975623,1.924352126,0.966354443,0.943918427,1.715118272,1.301954111,0.76031856,0.76031856,0.623499391,0.001748192,0.943918427,0.943918427,3.601631153,3.1159022,2.457539916,2.457539916,2.325607286,1.574268049,0.643706769,0.399277246,1.843430361,1.500221837,1.058262671,1.058262671,0.92036888,0.399985398,0.399277246,0.399277246,3.747225935,3.352774406,2.838982085,2.838982085,2.701595331,2.108963702,1.207644823,1.207644823,1.664941284,1.220907543,0.631337262,0.631337262,0.496015287,0.17746893,1.124415101,1.207644823,3.573490055,3.16845246,2.612600818,2.612600818,2.395325552,1.641222903,0.628860786,0.571428571,1.85929621,1.429357542,0.898315104,0.898315104,0.820678315,0.298019687,0.571428571,0.571428571,0,0,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.560660172,0.353553391,0,0,0.75,1,0.25,0.75,1,0.25,5.914213562,3.060660172,3.310660172,1,0.75,0,0,0,0.844887652,0.510110029,0.413832521,0.25,0.25,0,0,0,5.914213562,3.060660172,3.310660172,1,0.75,0,0,0,0.844887652,0.510110029,0.413832521,0.25,0.25,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,38,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,9.050347222,0,2.649305556,0,0,0,0,0,0,0,0,0,0.550347222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.227430556,0,1.309027778,0,0,0,0,0,0,0,0,0,0.550347222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.274305556,0,1.340277778,0,0,0,0,0,0,0,0,0,0.550347222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.25,1.75,0.2,2.274305556,0,0.550347222,5.321550347,0.699652778,0.274305556,2.100694444,0.699652778,0.274305556,2.100694444,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.57143,0,0.14286,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.77542,1.11077,7.77542,0,0,3.06066,0.43724,3.06066,0,0,0.35334,0.05048,0.35334,0.05048,0,6,0,0,0,0,0,0,1,0.886540893,1.306170652,2.098586412,2.608818477,2.499098392,1.799348487,20.39044053,30.04192499,48.26748748,60.00282497,57.47926302,41.38501519,0.195982923,0.288748262,0.463923437,0.576717751,0.55246251,0.397772486,3.637021063,3.217391304,2.424975544,1.914743479,2.024463564,2.724213469,0.19880132,0.292900702,0.470595043,0.585011432,0.560407381,0.403492786,6.634953582,11.67051069,14.97587471,14.53425805,13.21761703,8.188584212,27.76507516,21.21742031,19.25152915,20.07882979,17.58212912,14.60921646,7,2.34375,6,7,0,5,2.23,1.0949,2.121320344,3.746748298,0,3.039342743,1,0,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,2.855,8,4,3,0,0,0,0,0,0,28,1.945910149,2.197224577,1.609437912,1.386294361,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,3,0.666666667,0.375,0,0,0,0,0,0,0,0.5,0.083333333,0.09375,0,0,0,0,0,0,0,0.677083333,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,0,129.6283511,3.807354922,3.36729583,3.970291914,4.812184355,5.433722004,6.285998095,6.91274282,7.767687277,8.395929104,9.25157828,69.19742968,2.564949357,0,3.80666249,0,5.198497031,0,6.650279049,0,8.123557835,8.386628821,100.1252005,4.353269587,12.44898539,1.778426484,0,0,0,46,4,4.299,28,1.224818182,2.110039005,2.925391863,3.444940648,4.267175979,5.232313993,0,0,0,0,69.72220731,81.39693149,62.85969375,40.55503078,31.45493156,5.316365885,0,0,0,0,268.787596,337.4239973,370.6491673,256.7087877,337.1835545,162.6399109,0,0,0,0,8.893455721,14.97568724,20.72627454,23.66040965,29.64489348,35.1531132,0,0,0,0,2.059771149,2.735845826,3.339002704,2.578335402,3.53287855,2.326354323,0,0,0,0,176.6115071,329.9879212,457.3961271,597.3414425,711.3323912,967.5472182,0,0,0,0,2.530176136,3.592634557,5.157394396,4.556317719,6.712325108,5.232313993,0,0,0,0,0.427911136,0.575376064,0.713318333,0.5638878,0.77341134,0.535788953,0,0,0,0,362.9564459,140.4495827,8.674593963,142.8397749,-55.27326214,-8.668901582,220.116671,195.7228448,17.34349554,0.717594223,0.277680174,0.017150373,0.282405777,-0.109279706,-0.017139119,183.5819987,71.03886815,4.387576844,72.24781835,-27.9570071,-4.384697659,0.069842332,0.168646627,1.330292731,10.97867762,505.7962209,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,633.543587,25.17029176,8.588661762,1.463026135,1.205835205,343.0854036,339.6463059,121.6553363,1.010125527,2.820142659,2.791873469,3.897399416,3.220218461,6.42424645,0.994972244,4.462408855,5.691253305,2.782204597,20.12272941,4.123250571,6.332667077,7.623546394,9.21635197,4.238703442,6.841985068,1.605890969,1.126710556,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690852363,0.151666599,8.617090788,1.027190268,0.179954175,0.370290182,0.507237778,1.057461171,0.085333591,0.01131149,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690879785,0.543514798,10.47213388,1.254393886,0.812478757,1.174393029,1.732432441,1.432442169,0.597595505,0.117866056,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691209508,2.569833129,19.24377743,3.790518363,5.735472874,6.940204694,8.487722537,3.946884091,6.121662003,1.430820678,1.00387882,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690914767,0.855589699,11.89209407,1.530546132,1.431780082,1.927233873,2.737545153,1.771323486,1.206652169,0.256018195,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691437324,3.626803976,23.57532116,5.517793769,8.794203131,10.42536321,12.13607316,5.42939028,9.857235741,2.34203757,1.643201455,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.732087054,4.529584755,1.126305987,14.49598461,2.036862164,2.638297077,2.987885591,3.999831076,2.721530226,2.391882386,0.524377099,0.367905488,2.62E-15,3.60E-51,9.54E-109,4.88E-188,4.81E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.515230743,1.123595985,1.083373056,0.614314578,0.19635735,0.492756445,0.467591148,0.472182244,5.722199784,8.975279038,18.97647646,0.421471866,1.432529836,2.802221418,0.624749326,0.590249565,0.697552338,0.155517815,0.313039937,0.144485987,0.140160276,4.017220309,3.773453934,8.82401586,0.546328507,0.5976862,3.097542806,0.831377589,0.794500868,0.655783728,0.176011739,0.382546796,0.255927656,0.253946565,4.723421263,5.696758334,12.46620022,0.483675592,0.892421018,3.498754302,1.112069446,1.071978197,0.615674158,0.19569034,0.488144785,0.458041982,0.462301706,5.682801946,8.83356029,18.68727692,0.423511237,1.408488473,3.223872632,0.9197622,0.88187159,0.641502042,0.183018809,0.414408526,0.313265435,0.312870269,5.025506422,6.619350023,14.25977872,0.462253063,1.04054423,3.566456309,1.159431947,1.118799777,0.610204734,0.198373624,0.507232827,0.497909103,0.503568242,5.844688033,9.422386108,19.89338213,0.415307102,1.508710172,3.507982808,1.114254762,1.075002078,0.615733763,0.195578005,0.490732959,0.459857886,0.464913544,5.697239647,8.877701539,18.77689485,0.423600645,1.415504389 +UMLMON0123,L,"2,2-Dimethylpentane",CCCC(C)(C)C,11542,,"Sandia, UML",[1],C7H16,PubChem,,95.6,0,0.175,0.030625,32.0903,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1912.866323,1583.031919,701.528018,153.584928,12.192768,0,0,3885.475125,5223.921076,7983.759134,8739.842576,5812.235772,2142.045985,373.0049332,0,0,167.819552,174.20624,341.907212,487.690108,557.814728,286.167168,80.621568,0,0,29.42500648,40.12790896,64.52079401,77.85914474,60.77016164,25.36305606,5.335354858,0,0,3973.037281,3464.315612,7410.01833,10889.88012,13908.23009,7448.590342,2219.011824,0,0,36.8125,44.75,76.25,109.375,103.5,49,12,0,0,48.76541633,56.15943233,39.85138173,22.94249158,8.660839728,3.656784,1.016064,0,0,161.8947969,217.6633782,166.3283153,126.6643852,71.75599718,51.00109489,31.08374443,0,0,6.992481333,7.258593333,7.123066917,7.06797258,6.88660158,6.813504,6.718464,0,0,1.226041937,1.671996207,1.344183209,1.128393402,0.750248909,0.603882287,0.444612905,0,0,165.54322,144.3464838,154.3753819,157.8243496,171.7065444,177.3473891,184.917652,0,0,1.533854167,1.864583333,1.588541667,1.585144928,1.277777778,1.166666667,1,0,0,0.031757682,-0.00388786,0.005049717,-0.029313225,-0.002099041,0.006890853,0.007480714,0,0,645.6853813,5.47E-13,40.35533633,-645.6853813,-40.35533633,161.4213453,161.4213453,0,0,1200.679538,-5.68E-14,75.04247115,-1200.679538,-75.04247115,300.1698846,300.1698846,0,0,0.126485333,2.94E-15,0.007905333,-0.126485333,-0.007905333,0.031621333,0.031621333,0,0,5.367596186,1.14E-14,0.335474762,-5.367596186,-0.335474762,1.341899046,1.341899046,0,0,29.15686767,-1.15E-13,1.822304229,-29.15686767,-1.822304229,7.289216918,7.289216918,0,0,2.372395833,-1.0703125,1.380208333,-2.143554687,-0.082356771,0.259765625,0.470052083,0,0,0.001323237,-1.62E-04,1.05E-04,-4.25E-04,-2.59E-05,1.64E-04,6.23E-04,0,0,26.90355756,2.28E-14,0.840736174,-9.35775915,-0.498214029,3.843365365,13.45177878,0,0,50.0283141,-2.37E-15,1.563384816,-17.40115273,-0.926450261,7.146902014,25.01415705,0,0,0.005270222,1.22E-16,1.65E-04,-0.001833121,-9.76E-05,7.53E-04,0.002635111,0,0,0.223649841,4.74E-16,0.006989058,-0.077791249,-0.004141664,0.031949977,0.111824921,0,0,1.214869486,-4.81E-15,0.037964671,-0.4225633,-0.022497583,0.173552784,0.607434743,0,0,0.098849826,-0.044596354,0.02875434,-0.03106601,-0.00101675,0.006184896,0.039171007,0,0,-0.122422657,0.079503871,-0.321053168,-0.019583858,0.123989853,0.471112103,0,0,8.47E-16,0.03125,-0.347826087,-0.018518519,0.142857143,0.5,0,0,-4.73E-17,0.03125,-0.347826087,-0.018518519,0.142857143,0.5,0,0,2.32E-14,0.03125,-0.347826087,-0.018518519,0.142857143,0.5,0,0,2.12E-15,0.03125,-0.347826087,-0.018518519,0.142857143,0.5,0,0,-3.96E-15,0.03125,-0.347826087,-0.018518519,0.142857143,0.5,0,0,-0.45115258,0.290889133,-0.314274806,-0.010285807,0.062568606,0.396267838,0,0,1.56031225,1.017589676,1.43827378,0.82501031,0.561942253,0.003325082,0,0,1.4375,1.16796875,1.4375,0.798611111,0.513392857,0,0,0,1.4375,1.16796875,1.4375,0.798611111,0.513392857,0,0,0,1.4375,1.16796875,1.4375,0.798611111,0.513392857,0,0,0,1.4375,1.16796875,1.4375,0.798611111,0.513392857,0,0,0,1.4375,1.16796875,1.4375,0.798611111,0.513392857,0,0,0,1.969264544,0.580680571,1.567508233,0.81538399,0.634781245,0,0,0,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,35.86878211,17.67109353,25.80643342,35.77815711,4.472269638,17.67109361,-0.18125,0.047796088,0.005974511,-2.432649186,44.49953227,5.562441534,3.036382943,0,11.9,12.10012615,-0.150248744,0.049932191,6.468125,9.068753977,8,24,24,24,8,0,0,0,0,0,17.491312,3.673255551,3.052196949,2.750129472,2.333552793,2.145105355,1.456797487,1.210901199,0.441713938,2.013708642,1.589242385,1.372874417,1.249629723,1.037732619,0.666206401,0.546797064,0.083923071,3.69558268,3.08800298,2.792995694,2.405454588,2.212954426,1.556142907,1.325510656,0.551555594,1.962583172,1.511208006,1.285229005,1.134540686,0.923130647,0.522081792,0.393028903,0.270913902,3.794782305,3.247217301,2.981537655,2.704236987,2.499839866,1.9628467,1.784358262,0.964952343,1.814793638,1.27918801,1.018928274,0.76031856,0.554434314,0.037619229,0.132939592,0.943918427,3.712084697,3.114503178,2.824624264,2.457539916,2.262420155,1.62787375,1.407627065,0.628608479,1.930259744,1.461220842,1.228596505,1.058262671,0.847449473,0.425347018,0.289204533,0.399277246,3.843725716,3.325230945,3.072480534,2.838982085,2.631339642,2.141548494,1.981263671,1.207644823,1.769484866,1.206690516,0.933903671,0.631337262,0.429191875,0.135164289,0.324777273,1.129609302,3.709736497,3.186847507,2.843630456,2.701410456,2.365021292,1.7395605,1.540572959,0.686584958,1.919274411,1.365446615,1.170933049,0.819057515,0.709144434,0.275003005,0.122348732,0.62745098,0,0,0,0,0,2,5,0,1,0,0,0,0.088388348,0.176776695,0,0,0,0.088388348,0.176776695,1.207106781,0.25,0,0,1.207106781,0.25,0,0,1.207106781,1.457106781,1.207106781,1.207106781,1.457106781,1.207106781,6.035533906,3.707106781,3.724873734,2.207106781,1.508883476,1.030330086,0.353553391,0,0.754441738,0.463388348,0.338624885,0.220710678,0.150888348,0.103033009,0.088388348,0,6.035533906,3.707106781,3.724873734,2.207106781,1.508883476,1.030330086,0.353553391,0,0.754441738,0.463388348,0.338624885,0.220710678,0.150888348,0.103033009,0.088388348,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.9767,36.866,29.99704517,41.45422905,59.99409034,7.499261292,29.99704517,0.157950336,0.019743792,-1.476379698,43.07086986,5.383858732,3.010277516,52,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,4.762222222,0,7.308958333,0,0,0,0,0,0,0,0,0,0.678819444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.381111111,0,1.451388889,0,0,0,0,0,0,0,0,0,0.678819444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.381111111,0,1.475625,0,0,0,0,0,0,0,0,0,0.678819444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.75,1.59375,0.2,2.381111111,0,0.678819444,5.746508681,0.571180556,0.381111111,1.524444444,0.571180556,0.381111111,1.524444444,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0,0.125,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.72242,1.0903,8.72242,0,0,3.70711,0.46339,3.70711,0,0,0.20689,0.02586,0.29289,0.03661,0.25,8,0,0,0,0,0,0,1,0.918295834,1.351227481,2.18979819,2.625814584,2.621653522,2.217090775,22.03910002,32.42945954,52.55515656,63.01955001,62.91968454,53.21017859,0.200284263,0.294708513,0.477604384,0.572701431,0.571793885,0.483557014,3.666666667,3.23373502,2.395164311,1.959147917,1.963308978,2.367871726,0.200284263,0.294708513,0.477604384,0.572701431,0.571793885,0.483557014,6.73287657,11.92805633,14.99670114,15.78187335,13.2084235,12.80069503,31.59900002,25.11476817,23.32880898,22.06315834,25.91927858,26.4586136,6.125,2.082644628,1.8,0,0,0,2.34,1.1272,0.5,3.701071725,0,2,6.083643419,0,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.111,0.198,0.227,3.71,11,10,10,10,4,0,0,0,0,61,2.197224577,2.48490665,2.397895273,2.397895273,2.397895273,1.609437912,0,0,0,0,4.127134385,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,2.5,0.888888889,0.375,0.222222222,0,0,0,0,0,0,0.3125,0.080808081,0.053571429,0.111111111,0,0,0,0,0,0,0.55799062,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,0,134.567877,4,3.663561646,4.394449155,5.241747015,5.993961427,6.842683282,7.601402335,8.449556543,9.210440367,10.05813811,77.45593988,2.833213344,0,4.110873864,0,5.59471138,0,7.158513997,0,8.750999691,8.981304495,112.1252005,4.671883355,15.45878878,1.932348597,0,0,0,59,7,4.528,38,1.224166127,2.094237924,2.837703581,3.462235659,4.287288804,4.69929817,0,0,0,0,78.54273178,92.80959504,69.84087384,32.29304135,15.56996024,4.774787695,0,0,0,0,289.3400736,373.7598447,374.9085729,260.3705478,217.8438897,146.0717833,0,0,0,0,8.917064339,14.96986736,20.09971422,23.89163696,29.20758224,31.57206558,0,0,0,0,2.17096299,2.966341993,3.302402898,2.686663873,2.582520332,2.08936861,0,0,0,0,174.752874,319.6015529,444.6579025,590.6758662,760.6483066,868.9831837,0,0,0,0,2.325621618,3.430510401,4.571499896,4.519241808,4.999155808,4.69929817,0,0,0,0,0.449298446,0.62102891,0.703340051,0.588468819,0.578141591,0.481208133,0,0,0,0,321.8536803,131.4459954,8.222891172,81.8922884,-33.44505292,-4.382288063,239.9613919,164.8910484,12.60517924,0.797168778,0.325566088,0.020366497,0.202831222,-0.082836871,-0.010854073,129.9471259,53.07079076,3.319959162,33.06368131,-13.50330529,-1.769331139,0.066216686,0.146451469,0.684084356,1.160636704,403.7459687,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,966.5133885,31.08879844,9.887108304,1.3716744,1.3716744,303.3101519,266.3945771,159.8266801,1.138574798,1.897744179,1.666771636,3.626145416,3.651473827,5.904977379,0.617149036,4.463030152,6.231246365,6.837633902,10.88430292,22.36974835,11.7646149,11.76944373,6.257713045,6.330015961,0.094381613,0.405386603,4.20E-16,8.41E-53,3.25E-111,2.42E-191,3.47E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375119016,5.57572249,0.490820653,4.350945273,1.123392107,3.325383454,0.917545023,0.204858185,0.122884835,6.65E-04,0.002855171,2.96E-18,5.92E-55,2.29E-113,1.70E-193,2.44E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.209548647,5.619526722,1.614479357,5.024266163,4.100689585,4.838265802,1.899561946,0.872367458,0.665760378,0.006927076,0.029753083,3.09E-17,6.17E-54,2.38E-112,1.77E-192,2.54E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212771097,6.159275878,6.388287747,10.25075143,20.58810256,11.17377047,10.66887295,5.686219389,5.693845838,0.084092318,0.361192165,3.75E-16,7.49E-53,2.89E-111,2.15E-191,3.09E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.782358484,5.67632046,2.436864976,5.682529664,6.548185581,5.93908965,2.93981482,1.499244817,1.253437274,0.015046536,0.064627672,6.70E-17,1.34E-53,5.17E-112,3.85E-192,5.53E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389626864,6.533872369,8.570392928,13.49527606,29.51247367,14.03649524,16.33966306,8.601851619,8.976333924,0.137646712,0.591218261,6.13E-16,1.23E-52,4.73E-111,3.52E-191,5.06E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.965149212,5.241737519,3.874484604,7.734461384,11.47984904,8.55956034,5.772694665,3.079795162,2.863265266,0.037157544,0.15959857,1.66E-16,3.31E-53,1.28E-111,9.51E-192,1.36E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.479514822,1.414230778,1.107091766,0.495819928,0.282798794,0.516392398,0.476757773,0.448349385,5.000837366,7.817339868,16.70031206,0.243729892,1.441499556,1.832699571,0.877549636,0.548044161,0.562472241,0.269328,0.281717939,0.185185915,0.110759795,3.258293368,3.093621094,7.233325578,0.343708361,0.577663649,2.089455252,1.090578613,0.770341419,0.528925761,0.276069622,0.366358508,0.284969525,0.218187825,3.950375283,4.728427008,10.434191,0.293388641,0.869515858,2.463488409,1.400929584,1.093278893,0.49690178,0.282576692,0.50971709,0.467923087,0.437329334,4.957696886,7.676060418,16.40685277,0.24535267,1.414969511,2.203963347,1.185580374,0.869320957,0.517500206,0.278379442,0.407716922,0.336250167,0.277464407,4.258864678,5.55957708,12.08995628,0.276250309,1.021431496,2.529693049,1.455879247,1.150326394,0.492551197,0.283471177,0.537576151,0.504949315,0.483707885,5.13589869,8.267636618,17.64010415,0.238826796,1.526233351,2.470440157,1.402063718,1.09898729,0.496921361,0.28202076,0.512587991,0.46847145,0.441487345,4.971491164,7.719547048,16.49761644,0.245382042,1.422546787 +UMLMON0124,L,"1,1-Dimethylcyclohexane",CC1(CCCCC1)C,11549,,"Sandia, UML",[1],C8H16,PubChem,,85.9,0,1.0939,1.19661721,35.7141,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1604.188161,1268.257373,899.29594,675.105483,236.216736,27.433728,0,3947.642614,5029.877407,7031.587075,7601.168051,5927.879111,4081.819666,2624.766494,839.2610996,0,181.25648,180.900988,339.464772,444.936884,556.265488,311.98206,249.049728,181.398528,0,30.31423229,39.56609758,58.49435701,69.16503031,60.10728459,39.0812073,28.04682987,12.00454843,0,4342.872585,3643.766351,7589.85513,9960.211008,14046.34434,7574.612576,6084.723595,4992.776605,0,42.3125,49.875,77.375,106.375,103,65.25,54,27,0,45.09238923,49.11105724,33.42058669,20.13106941,11.10241901,15.00234407,6.561576,1.016064,0,151.8324082,201.1950963,146.4913974,120.6534611,73.18369273,90.70710369,72.9101804,31.08374443,0,6.971403077,7.23603952,7.07218275,7.062490222,6.86747516,6.932934667,6.918048,6.718464,0,1.165932011,1.582643903,1.218632438,1.097857624,0.742065242,0.868471273,0.779078607,0.444612905,0,167.033561,145.7506541,158.1219819,158.0985874,173.4116585,168.3247239,169.0200999,184.917652,0,1.627403846,1.995,1.611979167,1.688492063,1.271604938,1.45,1.5,1,0,0.035536039,-0.007787753,0.007856318,-0.035923679,0.015800727,0.002828614,-0.015115395,0.014573148,0,670.5194345,-58.02572029,75.2185263,-684.1304059,295.1431699,-15.04370526,-257.8920902,309.4705082,0,1246.859521,-107.9013047,139.8720616,-1272.169703,548.8313274,-27.97441232,-479.5613541,575.4736249,0,0.131350154,-0.01136684,0.014734793,-0.13401645,0.057816521,-0.002946959,-0.05051929,0.060623148,0,5.574042193,-0.482369036,0.625293195,-5.687190485,2.453531393,-0.125058639,-2.143862382,2.572634858,0,30.27828566,-2.620236259,3.396602558,-30.89290898,13.32762147,-0.679320512,-11.64549448,13.97459338,0,3.540865385,-1.98881287,2.414940828,-3.916327663,1.233265533,1.386002219,-2.220044379,1.320543639,0,0.001366771,-3.12E-04,1.64E-04,-5.70E-04,1.95E-04,6.29E-05,-4.20E-04,5.40E-04,0,25.78920902,-2.321028812,1.567052631,-10.85921279,3.643742838,-0.334304561,-7.163669172,11.46187067,0,47.95613541,-4.316052187,2.914001283,-20.19316989,6.7756954,-0.621653607,-13.32114872,21.31383796,0,0.005051929,-4.55E-04,3.07E-04,-0.002127245,7.14E-04,-6.55E-05,-0.001403314,0.002245302,0,0.214386238,-0.019294761,0.013026942,-0.090272865,0.030290511,-0.002779081,-0.059551733,0.095282773,0,1.164549448,-0.10480945,0.070762553,-0.490363635,0.164538537,-0.015096011,-0.323485958,0.517577533,0,0.13618713,-0.079552515,0.050311267,-0.062163931,0.0152255,0.030800049,-0.061667899,0.048909024,0,-0.227916871,0.11975182,-0.417200276,0.142723797,0.045990225,-0.307200093,0.394906202,0,-0.09,0.060763889,-0.421075838,0.141289438,-0.012962963,-0.277777778,0.444444444,0,-0.09,0.060763889,-0.421075838,0.141289438,-0.012962963,-0.277777778,0.444444444,0,-0.09,0.060763889,-0.421075838,0.141289438,-0.012962963,-0.277777778,0.444444444,0,-0.09,0.060763889,-0.421075838,0.141289438,-0.012962963,-0.277777778,0.444444444,0,-0.09,0.060763889,-0.421075838,0.141289438,-0.012962963,-0.277777778,0.444444444,0,-0.584141208,0.369427472,-0.45645966,0.111798379,0.226159765,-0.452817379,0.359131025,0,1.763283632,0.940820702,1.593279874,0.603326428,0.881922287,1.300651208,9.25E-05,0,1.625,1.128472222,1.57627866,0.612997257,0.902777778,1.128472222,0,0,1.625,1.128472222,1.57627866,0.612997257,0.902777778,1.128472222,0,0,1.625,1.128472222,1.57627866,0.612997257,0.902777778,1.128472222,0,0,1.625,1.128472222,1.57627866,0.612997257,0.902777778,1.128472222,0,0,1.625,1.128472222,1.57627866,0.612997257,0.902777778,1.128472222,0,0,2.188730482,0.478049332,1.747594263,0.542061636,0.66191446,1.765105227,0,0,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,47.85390908,23.80195454,37.41143796,47.66640908,5.958301135,23.80195454,-0.25,0.129772204,0.016221526,-1.633579713,75.72511441,9.465639302,3.461687894,0,11.89,12.11011416,-0.159448846,0.061790222,5.205589227,8.7472726,7,25,25,25,7,0,0,0,0,0,19.677726,3.57125256,3.191579358,2.54473899,2.333552793,2.333552793,1.812824763,1.254133619,0.464899437,1.945383925,1.719364226,1.311224379,1.249629723,1.249629723,0.866487835,0.57735301,0.083923071,3.595612306,3.227979241,2.601081114,2.405454588,2.405454588,1.896469961,1.368377689,0.569922726,1.889120504,1.644385963,1.209577427,1.134540686,1.134540686,0.736565279,0.425224355,0.270913902,3.70435032,3.387219397,2.842426826,2.704236987,2.704236987,2.243648668,1.823342829,0.966354442,1.726357108,1.418750942,0.889018129,0.76031856,0.76031856,0.308479981,0.094855811,0.943918427,3.613648314,3.254768858,2.642312746,2.457539916,2.457539916,1.957099657,1.450028521,0.643703622,1.853519995,1.596162629,1.142952992,1.058262671,1.058262671,0.649998988,0.322540888,0.399277246,3.758199523,3.463942957,2.955034526,2.838982085,2.838982085,2.399146568,2.018070404,1.207644823,1.676557494,1.347053394,0.782465777,0.631337262,0.631337262,0.159166486,0.284658169,1.124415117,3.592511384,3.288705391,2.710328052,2.629038207,2.629038207,2.021910218,1.534677028,0.640305431,1.864826249,1.54234601,1.046084893,0.883583662,0.883583662,0.548613506,0.204748666,0.581818182,0,0,0,0,0,4,3,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.560660172,0.353553391,0,0,0.75,0.780330086,0.707106781,0.75,0.780330086,0.707106781,6.621320344,3.560660172,3.664213562,1.280330086,0.707106781,0.530330086,0,0,0.827665043,0.508665739,0.40713484,0.256066017,0.176776695,0.176776695,0,0,6.621320344,3.560660172,3.664213562,1.280330086,0.707106781,0.530330086,0,0,0.827665043,0.508665739,0.40713484,0.256066017,0.176776695,0.176776695,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,56,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,9.124722222,0,4.073680556,0,0,0,0,0,0,0,0,0,0.551597222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.241805556,0,1.330625,0,0,0,0,0,0,0,0,0,0.551597222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.294305556,0,1.378472222,0,0,0,0,0,0,0,0,0,0.551597222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.75,1.71875,0.2,2.294305556,0,0.551597222,6.040535347,0.698402778,0.294305556,2.249444444,0.698402778,0.294305556,2.249444444,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0,0.125,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.21764,1.15221,9.21764,0,0,3.56066,0.44508,3.56066,0,0,0.35334,0.04417,0.35334,0.04417,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.266431544,2.82374789,2.556262566,2.270619836,23.15278265,34.39789514,58.92722016,73.41744515,66.46282671,59.03611572,0.189448582,0.281462171,0.482174367,0.60074122,0.543834773,0.483065409,3.809948078,3.377443751,2.434008174,1.876691828,2.144177152,2.429819883,0.191756937,0.284891675,0.488049468,0.608061011,0.550461182,0.488951368,6.648700044,11.83875197,16.17177764,14.72320287,13.56585183,12.20153287,31.72521615,24.13720728,21.00134079,22.66511845,25.17010226,17.61068002,8,3.111111111,7.2,8,0,6,2.34,1.2358,1.897366596,4.669630297,0,2.828427125,2.381101578,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,3.354,9,5,4,3,0,0,0,0,0,36,2.079441542,2.302585093,1.791759469,1.609437912,1.386294361,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,3,0.666666667,0.375,0.24,0,0,0,0,0,0,0.428571429,0.074074074,0.075,0.06,0,0,0,0,0,0,0.637645503,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,0,146.9243357,4,3.496507561,4.110873864,4.934473933,5.579729826,6.408528791,7.065613364,7.89469085,8.556990661,9.385721231,72.43313008,2.708050201,0,3.931825633,0,5.303304908,0,6.736966958,0,8.201111644,8.467792841,114.1408506,4.390032714,14.44048295,1.805060369,0,0,0,71,5,4.868,32,1.2278,2.116401194,2.918587944,3.465007628,4.405258471,5.484764116,6.138480966,0,0,0,71.2221278,80.92015264,64.93105719,47.51698448,79.38511742,38.05173506,6.237089524,0,0,0,272.5498825,339.0696678,368.8246048,281.8680127,446.8544443,415.4553899,190.8069735,0,0,0,8.919363223,15.03311663,20.64646756,23.86982524,30.68595721,38.01811056,41.24116338,0,0,0,2.081648384,2.75612872,3.303131567,2.751356493,4.142634869,4.397490145,2.729247854,0,0,0,176.77647,329.9402209,459.0385968,595.4077814,730.5638275,921.1211796,1135.113487,0,0,0,2.497185,3.568658161,5.001883782,4.544397236,6.732779766,8.413155912,6.138480966,0,0,0,0.4321989,0.579781655,0.705309239,0.598803461,0.892148095,0.964586557,0.628580451,0,0,0,391.5381323,172.283213,9.44649474,156.457041,-68.84366936,-9.456088369,235.0810913,241.1268824,18.90258311,0.714491936,0.314388194,0.017238281,0.285508064,-0.12562824,-0.017255788,214.5610067,94.41036917,5.176633522,85.73770331,-37.72599852,-5.181890785,0.061439737,0.148349132,0.975886085,9.657336922,547.9951733,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,748.8234176,27.36463809,9.080849384,1.797339331,1.797339331,558.7789879,550.8463865,129.478073,1.01440075,4.315626382,4.2543604,4.336544553,4.466158665,7.63628977,0.709811572,5.020209962,6.639770612,3.078537103,25.09560717,6.09810022,6.420934497,6.785246272,14.29731964,5.763973498,4.720457044,4.717288053,0.747575036,2.359766293,1.267677842,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327565,0.173783531,9.630483387,1.041256612,0.180591252,0.481350622,0.696664756,2.094706304,0.156213696,0.130201999,0.012978944,0.133620008,0.008928359,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639357879,0.616724454,11.75333883,1.399740853,0.81897146,1.314231678,2.500080954,2.607983233,0.661929297,0.594717192,0.062150911,0.473789074,0.093040381,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.63972222,2.847651788,23.78308167,5.550182168,5.814119246,6.238759141,13.1205644,5.455961186,4.29035254,4.269560292,0.666952819,2.183070706,1.129478135,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.63939654,0.965322037,13.51760064,1.845872048,1.445864917,2.020744317,4.02690442,3.030315586,1.135558726,1.053681534,0.125828036,0.741223166,0.202096141,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.639973935,3.993645313,30.37059326,8.397413259,8.922925757,8.990954092,19.04505166,6.999078908,6.4840317,6.564535788,1.086561589,3.059875882,1.848788995,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.115572728,5.418217405,1.312044094,17.13171527,2.780460653,2.757057474,3.04471913,6.676754047,3.808500971,2.036259648,2.022499939,0.261127894,1.313975984,0.429124665,1.22E-06,2.71E-33,1.16E-81,9.60E-152,1.53E-243,0,0,0,0,0,0,0,0,0,0,0,5.099727857,1.100412859,1.021895088,0.706134391,0.15236879,0.513950869,0.471414498,0.463843564,7.222035804,11.94769945,24.90441235,0.559201587,1.44920893,4.294087041,0.602893026,0.532345256,0.790906197,0.11104382,0.365308142,0.141786134,0.125876798,5.429325323,5.195759236,12.00325995,0.686359295,0.632971075,4.626048027,0.808042386,0.734117984,0.749982447,0.131001149,0.423497885,0.254524111,0.23938153,6.168208397,7.727306386,16.63967929,0.62497367,0.917403526,5.080949681,1.088829808,1.010489485,0.70762665,0.151641925,0.510198864,0.461569358,0.453547219,7.180268973,11.76678676,24.53737606,0.561439975,1.425315441,4.768795642,0.896193276,0.820858114,0.735261812,0.138176752,0.449837896,0.312974651,0.299291996,6.485847033,8.923914712,18.91791445,0.602892718,1.062104543,5.158158539,1.136451264,1.057383672,0.701599989,0.154577295,0.525713478,0.502704884,0.496619892,7.351993474,12.51781341,26.06818552,0.552399983,1.525038254,5.094696684,1.0909593,1.013817623,0.707648498,0.151533204,0.5129135,0.463324537,0.456539737,7.199473607,11.82923378,24.66361394,0.561472747,1.432777774 +UMLMON0125,L,"2,2-Dimethylhexane",CCCCC(C)(C)C,11551,,"Sandia, UML",[1],C8H18,PubChem,,77.4,0,0.5524,0.30514576,33.7512,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1516.485775,813.449451,220.131072,21.337344,0,0,3885.475125,5223.921076,7758.63172,8237.925345,5757.609485,2643.963217,652.758633,0,0,167.819552,174.20624,341.883496,485.2951,497.372268,288.562176,141.087744,0,0,29.42500648,40.12790896,63.51436973,73.84555631,57.77506978,29.37664449,9.336871002,0,0,3973.037281,3464.315612,7404.551417,11080.65075,12249.43814,7257.819716,3883.270693,0,0,36.55555556,44.5,75.19444444,102.5833333,94.33333333,55,21,0,0,48.76541633,56.15943233,37.32917321,21.97805471,11.29790904,5.241216,1.016064,0,0,161.8947969,217.6633782,161.6381608,119.3902224,79.96679841,62.95150517,31.08374443,0,0,6.992481333,7.258593333,7.122572833,7.033262319,6.907948167,6.870528,6.718464,0,0,1.226041937,1.671996207,1.323216036,1.070225454,0.802431525,0.699443916,0.444612905,0,0,165.54322,144.3464838,154.2614879,160.5891412,170.1310852,172.8052313,184.917652,0,0,1.523148148,1.854166667,1.566550926,1.486714976,1.310185185,1.30952381,1,0,0,0.032199942,-0.002797727,-0.003697588,-0.018142177,0.001119485,-0.004814924,0.012232959,0,0,645.6853813,6.32E-13,-80.71067267,-403.5533633,-40.35533633,-80.71067267,282.4873543,0,0,1200.679538,0,-150.0849423,-750.4247115,-75.04247115,-150.0849423,525.297298,0,0,0.126485333,2.94E-15,-0.015810667,-0.079053333,-0.007905333,-0.015810667,0.055337333,0,0,5.367596186,1.20E-14,-0.670949523,-3.354747616,-0.335474762,-0.670949523,2.348323331,0,0,29.15686767,-1.14E-13,-3.644608459,-18.22304229,-1.822304229,-3.644608459,12.75612961,0,0,2.314814815,-0.888888889,0.342592593,-1.233796296,0.768518519,-0.939814815,0.793981481,0,0,0.001341664,-1.17E-04,-7.70E-05,-2.63E-04,1.55E-05,-1.15E-04,5.83E-04,0,0,26.90355756,2.63E-14,-1.681472347,-5.848599469,-0.560490782,-1.921682683,13.45177878,0,0,50.0283141,0,-3.126769631,-10.87572046,-1.042256544,-3.573451007,25.01415705,0,0,0.005270222,1.22E-16,-3.29E-04,-0.0011457,-1.10E-04,-3.76E-04,0.002635111,0,0,0.223649841,5.02E-16,-0.013978115,-0.048619531,-0.004659372,-0.015974989,0.111824921,0,0,1.214869486,-4.74E-15,-0.075929343,-0.264102062,-0.025309781,-0.086776392,0.607434743,0,0,0.096450617,-0.037037037,0.007137346,-0.017881106,0.010673868,-0.022376543,0.037808642,0,0,-0.086886076,-0.057416064,-0.195973098,0.011588896,-0.085446892,0.434178552,0,0,9.79E-16,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,0,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,2.32E-14,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,2.24E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,-3.90E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,-0.384,0.074,-0.185391304,0.110666667,-0.232,0.392,0,0,1.52427482,1.164805064,1.242354694,0.820810083,0.919861694,0.002465251,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.909,0.78775,1.196,0.732166667,1.360285714,0,0,0,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,35.83226547,17.82585496,25.82505281,35.72762192,4.46595274,17.82585502,-0.180555556,0.003886333,4.86E-04,-4.440231442,56.95949686,7.119937107,3.233872347,0,11.89,12.11011416,-0.163184458,0.057757171,5.99173565,8.131494617,8,24,24,24,8,0,0,0,0,0,17.491312,3.657350533,3.042364541,2.853663763,2.228199052,2.17548746,1.377970367,1.099508061,0.848898167,2.009882053,1.585950347,1.461105401,1.122580275,1.066605404,0.622488404,0.413035098,0.330410394,3.680932934,3.078435564,2.895085076,2.297520321,2.243749091,1.481273271,1.209688389,0.983826043,1.957719315,1.506815679,1.37483188,1.009371871,0.952794097,0.47545632,0.259521562,0.166688749,3.784792767,3.239284907,3.077882533,2.587690342,2.531187307,1.901999654,1.656579633,1.505179962,1.805580128,1.271648566,1.11426999,0.642452217,0.585704835,0.021015099,0.262056834,0.403334114,3.698311237,3.105160529,2.925676806,2.347875851,2.293440723,1.555731248,1.289020676,1.079174122,1.924629286,1.45612622,1.31921624,0.934416605,0.877571657,0.376614638,0.156092313,0.055506268,3.83554735,3.318282267,3.166469981,2.719383743,2.662420938,2.08581738,1.850629028,1.722040714,1.758439799,1.19828528,1.031595087,0.516627122,0.460560939,0.199076829,0.450448455,0.616550127,3.693337584,3.202528088,2.992569805,2.501366942,2.414575883,1.676969391,1.403180493,1.232251244,1.913934192,1.349624362,1.230310518,0.753942722,0.722583699,0.2174035,7.08E-04,0.124359124,0,0,0,0,0,2,4,2,0,0,0,0,0.083333333,0.166666667,0,0,0,0.083333333,0.166666667,0.577350269,0,0,0,0.577350269,0,0,0,0.741581624,1.093412989,1.020220057,0.741581624,1.093412989,1.020220057,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,30.91733718,41.28122386,61.83467437,7.729334296,30.91733718,1.11E-16,1.39E-17,-29.38944046,4000010.293,500001.2866,12.16144599,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.741388889,0,5.899814815,0,0,0,2.025462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.472222222,0,0,0,1.012731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.476527778,0,0,0,1.012731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.370694444,0.2,1.012731481,5.7528125,0.320601852,0.370694444,1.482777778,0.320601852,0.370694444,1.482777778,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.42549,1.05319,8.42549,0,0,3.78768,0.47346,3.78768,0,0,0.12632,0.01579,0.21232,0.02654,0.25,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.605388542,3.105388542,3.105388542,3.105388542,22.03910002,34.03910002,62.52932501,74.52932501,74.52932501,74.52932501,0.200284263,0.309336409,0.568246423,0.677298569,0.677298569,0.677298569,3.666666667,3.166666667,1.979573959,1.479573959,1.479573959,1.479573959,0.200284263,0.309336409,0.568246423,0.677298569,0.677298569,0.677298569,6.73287657,12.73287657,16.67730206,17.18121457,17.18121457,17.18121457,31.59900002,23.74937501,20.87142917,19.56315834,19.56315834,19.56315834,6.125,2.52,1.8,0,0,0,2.34,1.1272,0.25,3.039342743,2.309401077,0,3.532775529,5.111544834,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,10,11,10,5,0,0,0,0,62,2.197224577,2.397895273,2.397895273,2.48490665,2.397895273,1.791759469,0,0,0,0,4.143134726,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,2,0.666666667,0.5,0.222222222,0,0,0,0,0,0,0.25,0.066666667,0.071428571,0.074074074,0,0,0,0,0,0,0.462169312,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,0,134.567877,4,3.610917913,4.343805422,5.141663557,5.888877958,6.690842277,7.44132039,8.24407127,8.995288991,9.798182591,76.15497037,2.833213344,0,4.043051268,0,5.451038454,0,6.947937069,0,8.479906607,8.727292029,112.1252005,4.671883355,15.53295821,1.941619777,0,0,0,61,7,4.43,36,1.224166127,2.094794846,2.815360989,3.489894013,4.439762854,5.234822833,0,0,0,0,78.54273178,86.43663066,67.8113012,45.08600372,24.51685715,5.318915027,0,0,0,0,289.3400736,361.1040737,354.6330967,300.4382172,288.8958816,162.7178951,0,0,0,0,8.917064339,14.96718785,19.8493851,24.17740647,30.5483984,35.16996875,0,0,0,0,2.17096299,2.906091803,3.130761575,2.946641408,3.180581352,2.327469786,0,0,0,0,174.752874,319.837531,448.5568451,588.4393715,763.6391302,968.0111471,0,0,0,0,2.316970341,3.363889538,4.261770818,4.721366424,5.924555878,5.234822833,0,0,0,0,0.449298446,0.609779712,0.667645828,0.640414087,0.702831927,0.536045858,0,0,0,0,321.0794086,132.0896224,8.183305806,78.87321786,-32.4478409,-4.160308244,242.2061907,164.5374633,12.34361405,0.802793599,0.33026317,0.020460688,0.197206401,-0.081129211,-0.010402003,128.4165528,52.82959141,3.27293465,31.54555064,-12.97759919,-1.663926209,0.072048215,0.151462109,1.219298384,1.257505672,399.9526264,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,944.3601888,30.73044401,9.810983759,1.450520005,1.450520005,381.2891891,275.4956943,155.7912984,1.384011427,2.447435723,1.768363812,3.772133311,3.780722771,6.119384403,0.618575276,4.463030408,6.04063106,10.54903683,10.27695489,18.11070208,7.982806813,8.977707478,8.889325298,6.051727121,1.418965368,2.063211621,5.11E-07,2.09E-34,1.66E-83,2.53E-154,7.43E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375119018,5.574379929,0.709898736,4.143463853,0.980576918,1.563715784,1.875205062,0.452500548,0.215868777,0.048916832,0.014531368,3.60E-09,1.48E-36,1.17E-85,1.78E-156,5.23E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.209548666,5.605536529,2.36556285,4.903279592,3.501264153,2.643424374,2.573215013,1.406741644,0.88926181,0.204144599,0.15142806,3.75E-08,1.54E-35,1.22E-84,1.85E-155,5.45E-248,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212771325,5.989441044,9.821913408,9.727356866,16.71675408,7.508268493,8.276948801,8.101173223,5.511268929,1.291073351,1.83828441,4.55E-07,1.87E-34,1.48E-83,2.25E-154,6.62E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.782358525,5.645931995,3.606852369,5.57100193,5.521412669,3.453069916,3.275590724,2.289802073,1.505279484,0.347648947,0.328921981,8.15E-08,3.34E-35,2.64E-84,4.03E-155,1.18E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389627238,6.255877998,13.3829241,12.50955793,23.66387409,9.832420878,11.87426607,12.11594233,8.260800307,1.94247179,3.009000246,7.45E-07,3.06E-34,2.42E-83,3.68E-154,1.08E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.967193635,5.314903157,6.001497642,7.323199855,9.59201458,5.152280359,5.42735884,4.72040677,3.229093153,0.767965652,0.822998542,2.04E-07,8.36E-35,6.61E-84,1.01E-154,2.96E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.058983373,1.717931863,0.67707967,0.560870229,0.314985968,0.522422968,0.507720656,0.420623378,5.453994906,8.489477195,17.5016104,0.341305344,1.450767002,2.233968092,1.169777309,0.222885384,0.615989943,0.322552082,0.279600997,0.235449416,0.046118985,3.626630785,3.371890284,7.580975225,0.423984915,0.561169398,2.561347011,1.387521326,0.403532162,0.588490653,0.318794497,0.366920236,0.331241845,0.150505751,4.3524005,5.147418981,10.93394196,0.382735979,0.848667832,3.038531807,1.704364152,0.66585856,0.561780313,0.315112129,0.515490141,0.499735204,0.406921799,5.408754519,8.33686256,17.19394188,0.34267047,1.422147145,2.707405743,1.484562455,0.483937736,0.579012021,0.317491942,0.409710374,0.379182186,0.216003492,4.675905934,6.047964516,12.66896764,0.368518031,1.004896052,3.123018961,1.760407985,0.712203533,0.55811744,0.314604045,0.544431012,0.533129594,0.464948749,5.595630479,8.975781441,18.48695561,0.337176161,1.542509355,3.054454474,1.707393034,0.667643312,0.562567389,0.314466511,0.52083036,0.501525612,0.40879914,5.42949082,8.394369934,17.30572364,0.343851083,1.431155113 +UMLMON0126,L,"1,3-Dimethylcyclohexane",CC1CCCC(C1)C,11564,Sandia values from biocompoundML paper because source [9] from UML is unknown probably should use Sandia Sensitivity,"Sandia, UML",[9],C8H16,PubChem,,68.2,0,1.1748,1.38015504,32.6229,20.321516,0,0,19,7,12,0,7,0,0,0,0,0,0,0,0,0,1022.041615,1155.133903,1426.565288,1076.576093,387.593305,64.685376,3.048192,0,0,3337.623245,4341.457709,6098.843241,5827.549678,3265.869607,956.2863764,93.25123329,0,0,133.40518,138.195196,257.222816,344.4917,303.619492,135.965952,20.155392,0,0,24.85765486,32.88483172,49.47685225,52.23754716,33.9480202,11.56798372,1.333838715,0,0,3106.572317,2725.031065,5492.556811,7880.085549,7505.941516,3571.172623,554.7529561,0,0,32.52777778,39.25,63.25,77.91666667,60.33333333,24,3,0,0,53.79166395,60.79652121,39.62681356,21.97094067,8.80893875,3.2342688,1.016064,0,0,175.6643813,228.4977741,169.4123122,118.9295853,74.22430925,47.81431882,31.08374443,0,0,7.021325263,7.273431368,7.145078222,7.030442857,6.900443,6.7982976,6.718464,0,0,1.308297624,1.730780617,1.374357007,1.066072391,0.771545914,0.578399186,0.444612905,0,0,163.5038062,143.4226876,152.5710225,160.8180724,170.5895799,178.5586312,184.917652,0,0,1.711988304,2.065789474,1.756944444,1.590136054,1.371212121,1.2,1,0,0,0.039582689,-0.001341146,-0.015546466,-0.012327222,-0.001742791,0.007197649,0.003968631,0,0,535.2391977,4.76E-13,-134.8158881,-284.3877441,-47.95689553,150.2425818,49.29834716,0,0,995.3001436,-8.53E-14,-250.6959008,-528.831154,-89.17789507,279.3824965,91.67238165,0,0,0.104849684,1.51E-15,-0.026409507,-0.055709607,-0.009394427,0.02943149,0.009657208,0,0,4.449454733,4.05E-15,-1.12072732,-2.364121312,-0.398666683,1.24896975,0.409818199,0,0,24.16950873,7.99E-14,-6.087808589,-12.84194449,-2.165563752,6.784423503,2.226138962,0,0,2.631578947,-0.263157895,-0.525623269,-0.944598338,-0.053247153,0.276700523,0.194136657,0,0,0.002083299,-7.06E-05,-4.32E-04,-2.52E-04,-3.96E-05,3.60E-04,0.001322877,0,0,28.17048409,2.51E-14,-3.744885782,-5.803831513,-1.089929444,7.51212909,16.43278239,0,0,52.38421809,-4.49E-15,-6.963775023,-10.79247253,-2.026770343,13.96912482,30.55746055,0,0,0.005518404,7.93E-17,-7.34E-04,-0.001136931,-2.14E-04,0.001471575,0.003219069,0,0,0.234181828,2.13E-16,-0.031131314,-0.048247374,-0.009060606,0.062448487,0.136606066,0,0,1.272079407,4.21E-15,-0.169105794,-0.2620805,-0.049217358,0.339221175,0.742046321,0,0,0.138504155,-0.013850416,-0.014600646,-0.019277517,-0.001210163,0.013835026,0.064712219,0,0,-0.033882125,-0.207289583,-0.120758427,-0.019012578,0.172746386,0.634991342,0,0,8.89E-16,-0.132936508,-0.206025267,-0.038690476,0.266666667,0.583333333,0,0,-8.57E-17,-0.132936508,-0.206025267,-0.038690476,0.266666667,0.583333333,0,0,1.44E-14,-0.132936508,-0.206025267,-0.038690476,0.266666667,0.583333333,0,0,9.11E-16,-0.132936508,-0.206025267,-0.038690476,0.266666667,0.583333333,0,0,3.31E-15,-0.132936508,-0.206025267,-0.038690476,0.266666667,0.583333333,0,0,-0.1,-0.105416667,-0.139183673,-0.008737374,0.099888889,0.467222222,0,0,1.229597127,1.230891115,1.07613135,0.835366212,0.65334395,0.25738199,0,0,1.285714286,1.244047619,1.163265306,0.832792208,0.407142857,0,0,0,1.285714286,1.244047619,1.163265306,0.832792208,0.407142857,0,0,0,1.285714286,1.244047619,1.163265306,0.832792208,0.407142857,0,0,0,1.285714286,1.244047619,1.163265306,0.832792208,0.407142857,0,0,0,1.285714286,1.244047619,1.163265306,0.832792208,0.407142857,0,0,0,1.37,1.0925,1.10122449,0.863636364,0.684,0,0,0,24.614895,11.74659083,17.70814853,24.614895,3.516413571,11.7466246,-7.11E-15,0.071524786,0.010217827,-1.846397858,35.36741839,5.052488342,2.496053708,24.614895,11.74659083,17.70814853,24.614895,3.516413571,11.7466246,-7.11E-15,0.071524786,0.010217827,-1.846397858,35.36741839,5.052488342,2.496053708,24.614895,11.74659083,17.70814853,24.614895,3.516413571,11.7466246,-7.11E-15,0.071524786,0.010217827,-1.846397858,35.36741839,5.052488342,2.496053708,24.614895,11.74659083,17.70814853,24.614895,3.516413571,11.7466246,-7.11E-15,0.071524786,0.010217827,-1.846397858,35.36741839,5.052488342,2.496053708,24.614895,11.74659083,17.70814853,24.614895,3.516413571,11.7466246,-7.11E-15,0.071524786,0.010217827,-1.846397858,35.36741839,5.052488342,2.496053708,24.614895,11.74659083,17.70814853,24.614895,3.516413571,11.7466246,-7.11E-15,0.071524786,0.010217827,-1.846397858,35.36741839,5.052488342,2.496053708,31.65122395,14.1144668,21.52400731,31.6248634,4.517837629,14.1144712,-0.18452381,0.119565522,0.017080789,-1.486723532,63.08847788,9.012639697,2.901176706,0,11.9,12.10010405,-0.163703267,0.043969436,5.882557729,7.895632428,7,19,18,18,6,1,1,0,0,1,13.118484,3.654070868,2.961878717,2.692797761,2.163971157,1.407211911,1.010154434,0.732869898,0.083923071,1.979513556,1.48466777,1.301455562,1.029156198,0.608611649,0.374431327,0.257657191,0.083923071,3.675278003,2.994425545,2.734397571,2.230803658,1.505105098,1.125595494,0.87227568,0.270913902,1.930224776,1.405000108,1.215168311,0.91936484,0.464941106,0.216771399,0.090013197,0.270913902,3.769623985,3.143637494,2.917924989,2.511121,1.90806064,1.592792141,1.410310712,0.943918427,1.788696955,1.17444425,0.954409919,0.564090782,0.017596917,0.322537815,0.4954652,0.943918427,3.690955919,3.018755895,2.765125992,2.279391621,1.575946244,1.208716372,0.970775275,0.399277246,1.899156215,1.354435361,1.159556104,0.84673074,0.368521914,0.110289179,0.023962916,0.399277246,3.816305301,3.219266891,3.006713028,2.638528557,2.08581673,1.794485124,1.633549526,1.207644823,1.745536159,1.104978341,0.871484501,0.442408169,0.189292014,0.518799523,0.715164237,1.207644823,3.714447074,3.116424955,2.772082749,2.382334815,1.665742727,1.310427983,1.14439179,0.591549296,1.890513513,1.245821259,1.103336782,0.720013308,0.234587648,0.017476481,0.211789006,0.591549296,0,0,0,2,0,1,3,1,0,0,0,0,0.102062073,0.102062073,0,0,0,0.068041382,0.068041382,0.288675135,0,0,0,0.288675135,0,0,0,0.40824829,0.433012702,0.40824829,0.370790812,0.331927305,0.272165527,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,4.853371151,3.043676764,2.389628766,1.53125097,0.944977955,0.60069838,0.136082763,0,0.693338736,0.434810966,0.298703596,0.191406371,0.118122244,0.075087298,0.068041382,0,10.25096682,18.32702112,17.35294118,17.56,11.79132695,144.9122251,0.53952457,0.964580059,0.913312693,0.924210526,0.620596155,7.626959218,2.28879,31.885,25.81164286,34.91599912,51.62328572,7.374755103,25.81164286,0.063309915,0.009044274,-1.931799329,26.80913824,3.829876892,2.302119966,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,1,0,3,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.563657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.607013889,0,0,1.292986111,0.580555556,0,0.607013889,0,0,0,0,0,0,0,0,2.309027778,0,4.011574074,0,4.563657407,0,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.277777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.225625,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.309027778,0,1.305555556,0,2.277777778,0,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.28587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.290277778,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.309027778,0,1.399305556,0,2.28587963,0,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.69047619,0.306319444,2.309027778,0.225625,0.949074074,4.612259259,0.384259259,0.309027778,1.74537037,0.384259259,0.309027778,1.74537037,3.5,0.5,0,0,0.44737,0.7,0.43333,0.43333,0.7,0.01404,0.01404,0,0,0.71429,0,0,0.14286,0.14286,0,4.5,0.64286,3.5,0.5,1,0.14286,-2.5,-0.35714,0,0,5.59495,0.79928,6.62679,1.03183,0.1474,2.85095,0.40728,3.39384,0.54289,0.07756,0.02016,0.00288,0.10616,0.01517,0.315789474,7,0,0,0,0,0,0,0.714285714,0.949452015,2.183754832,3.260828171,3.576617645,3.576617645,3.431623566,18.03958829,41.49134181,61.95573525,67.95573525,67.95573525,65.20084775,0.223509467,0.514075352,0.767628016,0.841967673,0.841967673,0.807834775,3.298475498,2.064172682,0.987099342,0.671309869,0.671309869,0.816303948,0.219682511,0.505273291,0.754484596,0.8275514,0.8275514,0.794002929,6.790838447,17.08973949,19.33231201,20.8076436,19.65057255,19.50444389,27.3155423,17.78709831,15.55541888,13.61023202,14.79335177,15.1474069,5.142857143,2.34375,1.5,0,2,0,2.23,0.9433,0,1.850535862,1,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.111,0.108,0.338,0.369,3.335,8,8,8,8,2,0,0,0,0,48,2.197224577,2.397895273,2.48490665,2.63905733,2.772588722,1.609437912,0,0,0,0,4.234106505,1.416666667,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,0,3,4,0.333333333,1,0.444444444,0.1875,0.111111111,0,0,0,0,0,0,0.142857143,0.055555556,0.0375,0.111111111,0,0,0,0,0,0,0.34702381,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,0,114.6354337,3.807354922,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,71.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.388905171,96.09390038,5.057573704,13.67682532,1.953832189,0,0,0,42,5,3.406,30,1.281051588,2.254808579,3.066904949,3.825986133,4.854014819,6.014823744,0,0,0,0,92.07727792,101.2570853,73.58629285,37.3075768,16.25774625,6.111445873,0,0,0,0,325.8807487,413.9643752,385.3068424,300.700566,236.3042733,186.9632441,0,0,0,0,9.36305897,16.17504398,21.6197632,26.46479451,33.01913988,40.41037679,0,0,0,0,2.397154139,3.287853809,3.403697984,3.073542104,2.841246425,2.674268257,0,0,0,0,180.9041876,339.5181964,488.8692345,647.703783,865.1250013,1112.247084,0,0,0,0,2.727837359,4.094129259,5.015200031,5.402812609,5.875179008,6.014823744,0,0,0,0,0.49429836,0.688044458,0.725938016,0.671837236,0.63756331,0.615917951,0,0,0,0,270.4862842,105.8431066,9.048094419,55.88425364,-21.86788522,-4.351249479,214.6020305,127.7109918,13.3993439,0.828770532,0.324303497,0.02772338,0.171229468,-0.067003245,-0.013332237,88.27875404,34.54407162,2.953031442,18.23897392,-7.137033459,-1.420119633,0.145421045,0.224668786,4.272191121,6.210601184,326.3705378,0,1,0,423.2976476,20.57419859,7.508421046,539.9667052,23.23718368,8.143085483,663.7349019,25.76305304,8.722980168,1.85698587,1.816687252,331.2996917,245.15106,115.3064706,1.351410399,2.873209891,2.12608242,3.712701801,3.995698619,6.281368163,0.572032519,3.510268705,3.212110537,3.847999539,12.27548528,11.46019222,7.215865526,8.417714682,6.010222338,1.062051956,0.772010645,1.414137644,0.008396133,3.73E-23,3.20E-65,5.28E-129,1.68E-214,1.033E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0.294725731,3.211922925,0.403828243,4.582254276,4.07256161,0.501443234,0.43891349,1.251904842,0.060579458,0.044526009,0.00995989,5.91E-05,2.63E-25,2.25E-67,3.72E-131,1.19E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,0,0.951086605,3.211935886,1.070036229,5.675642514,5.038610214,1.687289846,1.521723704,1.834349303,0.214371077,0.157087579,0.10378971,6.16E-04,2.74E-24,2.35E-66,3.88E-130,1.24E-215,7.4E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,3.313415468,3.212090089,3.62412386,11.63577705,10.8162119,6.739469082,7.736160481,5.581366524,0.982831216,0.714762456,1.259971183,0.007480803,3.32E-23,2.85E-65,4.70E-129,1.50E-214,9.2E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,1.401657768,3.211952306,1.538299985,6.567839814,5.862680838,2.556180629,2.427108149,2.349630717,0.334977377,0.245026984,0.225445112,0.001338531,5.95E-24,5.09E-66,8.42E-130,2.68E-215,1.63E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,4.239127636,3.212196424,4.691700433,14.83562188,14.06223932,9.053940703,11.16045106,7.754265789,1.37570765,0.998408557,2.062386841,0.012244971,5.44E-23,4.66E-65,7.70E-129,2.45E-214,1.507E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,2.098951041,2.816337847,2.497674507,7.628706238,7.308721849,3.691366666,3.936646981,3.698052866,0.613333894,0.448067974,0.494850005,0.002938064,1.31E-23,1.12E-65,1.85E-129,5.89E-215,3.6E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,3.184728425,1.665368617,0.527461401,0.592225721,0.309688613,0.48546248,0.489082904,0.33856081,5.377558443,7.861985752,16.0370659,0.388338581,1.313106195,2.434727223,1.04929451,0.151887415,0.66963368,0.28859206,0.282368262,0.193565395,0.027864908,3.635909149,3.083924966,7.107867868,0.50445052,0.503798564,2.717706476,1.283057414,0.294073085,0.632784548,0.298744148,0.352297123,0.289960048,0.104828639,4.294836974,4.663490421,9.983752433,0.449176823,0.747085811,3.164587316,1.648962797,0.517424943,0.593622608,0.309317297,0.479257687,0.479490599,0.325756709,5.330975055,7.708937642,15.73998442,0.390433912,1.284504995,2.849953644,1.391735847,0.36031117,0.619285796,0.302419741,0.387745611,0.341353014,0.157576955,4.602000661,5.494710751,11.52584338,0.428928695,0.88667558,3.248347164,1.717143401,0.559147442,0.587974662,0.31081555,0.505336944,0.51996642,0.380609401,5.524638006,8.35431924,16.9978134,0.381961993,1.405912764,3.180679359,1.648412479,0.517925887,0.594851097,0.308286332,0.484019417,0.479216663,0.326421149,5.347017725,7.744183223,15.80672343,0.392276645,1.289657229 +UMLMON0127,L,4-methylcyclohexene,CC1CCC=CC1,11572,,UML,[1],C7H12,PubChem,,67,0,0.6562,0.43059844,29.741,20.321516,0,0,19,7,12,0,7,0,0,0,0,0,0,0,0,0,1022.041615,1155.133903,1415.474264,1062.436877,395.636137,78.824592,6.096384,0,0,3337.623245,4341.457709,6015.190369,5650.645573,3256.271246,1133.190482,186.5024666,0,0,133.40518,138.195196,256.823648,323.93714,283.863268,156.520512,40.310784,0,0,24.85765486,32.88483172,48.80792084,50.23477704,33.28311289,13.57075384,2.667677429,0,0,3106.572317,2725.031065,5524.351915,7357.127697,6919.393455,4094.130475,1109.505912,0,0,31.77777778,38.91666667,63,73.91666667,55.83333333,26.5,6,0,0,53.79166395,60.79652121,39.31872956,23.09645385,9.649661878,3.427156174,1.016064,0,0,175.6643813,228.4977741,167.0886214,122.8401211,79.4212499,49.26915137,31.08374443,0,0,7.021325263,7.273431368,7.133990222,7.042111739,6.923494341,6.805239652,6.718464,0,0,1.308297624,1.730780617,1.355775579,1.09206037,0.811783241,0.590032776,0.444612905,0,0,163.5038062,143.4226876,153.4542199,159.9375586,168.765694,178.0056728,184.917652,0,0,1.67251462,2.048245614,1.75,1.606884058,1.361788618,1.152173913,1,0,0,0.034276411,0.00308452,-0.010230164,-0.022051348,-0.002305469,0.009947485,0.00441677,0,0,535.2391977,5.47E-13,-90.21262166,-289.0828248,-141.8585092,154.9376625,98.59669431,0,0,995.3001436,-1.14E-13,-167.7542222,-537.561857,-263.7919554,288.1131995,183.3447633,0,0,0.104849684,1.51E-15,-0.017672033,-0.056629341,-0.027789108,0.030351224,0.019314416,0,0,4.449454733,3.83E-15,-0.749939426,-2.403151616,-1.179272777,1.288000054,0.819636398,0,0,24.16950873,7.99E-14,-4.073682862,-13.05395772,-6.405828441,6.996436737,4.452277924,0,0,2.298245614,-0.112573099,0.107417667,-1.486688212,-0.547091413,0.527854725,0.361957525,0,0,0.001804022,1.62E-04,-2.84E-04,-4.79E-04,-5.62E-05,4.32E-04,7.36E-04,0,0,28.17048409,2.88E-14,-2.505906157,-6.284409235,-3.459963638,6.736420108,16.43278239,0,0,52.38421809,-5.98E-15,-4.659839506,-11.68612733,-6.433950131,12.52666085,30.55746055,0,0,0.005518404,7.95E-17,-4.91E-04,-0.001231073,-6.78E-04,0.001319618,0.003219069,0,0,0.234181828,2.02E-16,-0.020831651,-0.052242426,-0.028762751,0.056000002,0.136606066,0,0,1.272079407,4.21E-15,-0.113157857,-0.28378169,-0.156239718,0.304192902,0.742046321,0,0,0.120960295,-0.0059249,0.002983824,-0.032319309,-0.013343693,0.022950205,0.060326254,0,0,0.089989588,-0.157520958,-0.265726924,-0.031169772,0.239741767,0.408048474,0,0,1.02E-15,-0.088955026,-0.223084886,-0.1228223,0.239130435,0.583333333,0,0,-1.14E-16,-0.088955026,-0.223084886,-0.1228223,0.239130435,0.583333333,0,0,1.44E-14,-0.088955026,-0.223084886,-0.1228223,0.239130435,0.583333333,0,0,8.61E-16,-0.088955026,-0.223084886,-0.1228223,0.239130435,0.583333333,0,0,3.31E-15,-0.088955026,-0.223084886,-0.1228223,0.239130435,0.583333333,0,0,-0.048982188,0.024667798,-0.267189401,-0.110314653,0.189733378,0.498727735,0,0,1.12219337,1.318729354,1.308812969,0.83506805,0.337404643,9.60E-05,0,0,1.285714286,1.1875,1.194875776,0.943379791,0.442546584,0,0,0,1.285714286,1.1875,1.194875776,0.943379791,0.442546584,0,0,0,1.285714286,1.1875,1.194875776,0.943379791,0.442546584,0,0,0,1.285714286,1.1875,1.194875776,0.943379791,0.442546584,0,0,0,1.285714286,1.1875,1.194875776,0.943379791,0.442546584,0,0,0,1.339694656,0.948791349,1.345544308,0.94451685,0.468221042,0,0,0,21.85514561,10.9275728,15.99555507,21.85514561,3.122163658,10.92763402,-1.24E-14,0.041583509,0.005940501,-2.226036127,42.5912128,6.084458972,2.626153572,21.85514561,10.9275728,15.99555507,21.85514561,3.122163658,10.92763402,-1.24E-14,0.041583509,0.005940501,-2.226036127,42.5912128,6.084458972,2.626153572,21.85514561,10.9275728,15.99555507,21.85514561,3.122163658,10.92763402,-1.24E-14,0.041583509,0.005940501,-2.226036127,42.5912128,6.084458972,2.626153572,21.85514561,10.9275728,15.99555507,21.85514561,3.122163658,10.92763402,-1.24E-14,0.041583509,0.005940501,-2.226036127,42.5912128,6.084458972,2.626153572,21.85514561,10.9275728,15.99555507,21.85514561,3.122163658,10.92763402,-1.24E-14,0.041583509,0.005940501,-2.226036127,42.5912128,6.084458972,2.626153572,21.85514561,10.9275728,15.99555507,21.85514561,3.122163658,10.92763402,-1.24E-14,0.041583509,0.005940501,-2.226036127,42.5912128,6.084458972,2.626153572,22.8472937,11.3680913,16.69513305,22.76792862,3.252561232,11.36812925,-0.111111111,0.160309706,0.022901387,-1.281453372,75.10526541,10.72932363,3.023223468,0,11.9,12.10010405,-0.140910337,0.059909795,6.021119715,7.854758048,7,19,18,18,6,1,1,0,0,1,13.118484,3.664877269,2.936402518,2.683104061,2.176056391,1.382221251,1.231689465,0.342717822,0.083923071,1.976510315,1.490154702,1.30468675,1.028917133,0.583527959,0.529733496,0.083923071,0.083923071,3.684520119,2.972032666,2.725159647,2.242392503,1.47866712,1.343586459,0.471107941,0.270913902,1.928179858,1.407657825,1.216050398,0.920890797,0.437098865,0.382105299,0.270913902,0.270913902,3.773201831,3.132972864,2.91160343,2.51943629,1.8775957,1.791787481,0.958552948,0.943918427,1.791365929,1.165766423,0.948833374,0.571608391,0.04837618,0.127557952,0.943918427,0.943918427,3.699113341,2.998536853,2.756274447,2.290545233,1.548562802,1.423802233,0.561579714,0.399277246,1.897875129,1.355054661,1.158944624,0.84949559,0.339306308,0.282074839,0.399277246,0.399277246,3.817785525,3.213251716,3.002288355,2.644856083,2.054891644,1.983651284,1.207644823,1.207644823,1.750369929,1.09162472,0.864290061,0.451684336,0.219114533,0.314753011,1.153245834,1.207644823,3.731313857,3.05615491,2.776490443,2.41985373,1.658492875,1.526695149,0.70712645,0.6,1.872811671,1.253565458,1.110088822,0.709902564,0.194197303,0.135561597,0.6,0.6,0,0,0,1,1,1,4,0,0,0,0,0,0.102062073,0.102062073,0,0,0,0.072168784,0.072168784,0.288675135,0,0,0,0.204124145,0,0,0,0.40824829,0.433012702,0.40824829,0.288675135,0.306186218,0.288675135,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,4.905777394,3.050476816,2.296258731,1.518037688,0.99870012,0.660074775,0.144337567,0,0.700825342,0.435782402,0.287032341,0.189754711,0.124837515,0.082509347,0.072168784,0,10.25096682,18.32702112,17.35294118,17.56,11.79132695,144.9122251,0.53952457,0.964580059,0.913312693,0.924210526,0.620596155,7.626959218,2.43289,31.955,25.81164286,34.91599912,51.62328572,7.374755103,25.81164286,0.063309915,0.009044274,-1.931799329,26.80913824,3.829876892,2.302119966,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,3,0,1,0,0,0,0,0,0,0,0,1,0,4,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.939814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,1.067361111,0.870833333,0,0.288541667,0,0,0,0,0,0,0,0,2.221388889,0,5.505462963,0,2.350694444,0,0,0,0,1.58912037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.58912037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.243402778,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.221388889,0,1.325231481,0,2.350694444,0,0,0,0,1.58912037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.350694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.290277778,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.221388889,0,1.418981481,0,2.350694444,0,0,0,0,1.58912037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.66666667,1.666666667,0.290277778,2.350694444,0.053819444,1.325231481,4.04740162,0.174768519,0.350694444,1.144166667,0.174768519,0.350694444,1.144166667,3.5,0.5,0,0,0.44737,0.7,0.43333,0.43333,0.7,0.01404,0.01404,0,0,0.71429,0,0,0.14286,0.14286,0,4.5,0.64286,3.5,0.5,1,0.14286,-2.5,-0.35714,0,0,5.65204,0.80743,6.62679,0.97475,0.13925,2.8406,0.4058,3.39384,0.55324,0.07903,0.02016,0.00288,0.10616,0.01517,0.315789474,7,0,0,0,0,0,0,0.714285714,0.949452015,2.034572366,3.050301855,3.366091329,3.471354487,3.300559092,18.03958829,38.65687495,57.95573525,63.95573525,65.95573525,62.71062276,0.223509467,0.47895647,0.718068245,0.792407902,0.817187788,0.776981029,3.298475498,2.213355148,1.197625658,0.881836184,0.776573026,0.947368421,0.219682511,0.470755719,0.705773393,0.778840197,0.803195798,0.763677465,6.790838447,16.93938967,19.12013832,20.59546991,19.54448571,19.37235383,27.3155423,17.47469193,16.08086204,14.13567519,15.02997571,15.43798769,5.142857143,2.34375,1.5,0,2,0,2.23,0.9433,0,1.850535862,1,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.076,0.353,0.392,3.54,8,8,8,8,2,0,0,0,0,48,2.197224577,2.48490665,2.564949357,2.63905733,2.708050201,1.386294361,0,0,0,0,4.234106505,1.416666667,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,0,3,4,0.333333333,1,0.444444444,0.1875,0.111111111,0,0,0,0,0,0,0.142857143,0.055555556,0.0375,0.111111111,0,0,0,0,0,0,0.34702381,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,0,114.6354337,3.807354922,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,71.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.388905171,96.09390038,5.057573704,13.67682532,1.953832189,0,0,0,42,5,2.96,30,1.280314746,2.243921907,3.056942465,3.783299608,4.784264649,5.546580281,0,0,0,0,91.88751044,98.75144722,75.95911355,40.53261931,16.98430411,5.635680546,0,0,0,0,325.3736645,404.2538434,392.3223366,318.554372,240.1506967,172.4084839,0,0,0,0,9.357235716,16.0715998,21.57152559,26.26117751,32.57922548,37.26449994,0,0,0,0,2.394041041,3.218964267,3.445558809,3.201629158,2.858329795,2.466081171,0,0,0,0,180.8273885,339.8177913,485.6517221,633.2439391,849.9409418,1025.660602,0,0,0,0,2.719856273,4.060386226,5.001312719,5.279579739,5.553036225,5.546580281,0,0,0,0,0.493680202,0.674058306,0.734097439,0.697541877,0.640314132,0.567969821,0,0,0,0,272.4330244,100.8712237,8.360844597,37.07796007,-13.72850892,-2.263750775,235.3550644,114.5997326,10.62459537,0.880204704,0.32590515,0.027013079,0.119795296,-0.044355482,-0.007313959,84.3210136,31.22075176,2.587773243,11.47603592,-4.24912431,-0.700655731,0.154360939,0.22963286,3.431854054,3.148636688,309.5109845,0,1,0,425.4728485,20.6269932,7.52126026,541.9295938,23.2793813,8.152940807,675.4334633,25.98910278,8.773930523,1.821635921,1.788060884,324.4240951,235.6392707,117.8308484,1.376782801,2.753303565,1.999809675,3.688716546,3.820078341,6.188277901,0.619934815,3.428610376,3.262778105,3.192581131,15.39891681,9.892136779,7.366954725,8.190328071,7.613400721,3.01654657,2.475321824,0.806823903,6.02E-05,2.42E-29,1.88E-75,2.82E-143,8.14E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.287872713,3.262548785,0.343847096,5.004823022,3.952375937,0.414597816,1.128758136,1.201280261,0.070768594,0.073815149,0.005682527,4.24E-07,1.71E-31,1.33E-77,1.98E-145,5.73E-235,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.928964228,3.262564557,0.879688837,6.543885584,4.756562625,1.470502571,2.14348749,1.919069084,0.348631128,0.326528965,0.05921631,4.42E-06,1.78E-30,1.38E-76,2.07E-144,5.97E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.236336667,3.262753086,3.00203577,14.55649553,9.384085273,6.812841386,7.607075875,7.011757264,2.721788076,2.244289018,0.718865572,5.37E-05,2.16E-29,1.68E-75,2.51E-143,7.25E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.369053455,3.2625846,1.26108052,7.773387875,5.429828005,2.303195473,2.966759766,2.587307052,0.635409163,0.570523259,0.128625738,9.60E-06,3.87E-30,3.00E-76,4.49E-144,1.30E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.140513378,3.262883204,3.916419567,18.75203733,11.93720499,9.564483466,10.52123848,10.07843076,4.237820006,3.426124233,1.176676836,8.79E-05,3.54E-29,2.74E-75,4.11E-143,1.19E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.067052468,3.105312856,1.848615735,9.992020716,6.796480294,3.632837261,4.560743747,4.105435326,1.202003828,1.155126877,0.290456606,2.17E-05,8.73E-30,6.78E-76,1.01E-143,2.93E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.279851475,1.678405944,0.528502594,0.597775639,0.305901104,0.540005793,0.489659404,0.341982711,5.486760013,8.125374118,16.5214998,0.396663459,1.371647907,2.300973976,1.081531865,0.151072671,0.651173865,0.306072685,0.265460448,0.201839763,0.027599911,3.533578512,2.999580868,6.909115307,0.476760797,0.494900122,2.671096925,1.307474269,0.293965295,0.625178259,0.30601828,0.357858632,0.295944577,0.105087044,4.272536489,4.661952355,9.961130448,0.437767389,0.758890253,3.25364874,1.662452951,0.518417143,0.598700426,0.30590619,0.531391974,0.480323707,0.328974099,5.434518835,7.957629345,16.19628618,0.398050639,1.34068978,2.843735197,1.412740221,0.360531358,0.615926148,0.30598617,0.405699538,0.345960668,0.158413213,4.617006775,5.55205195,11.61747871,0.423889222,0.910073419,3.362588046,1.728772055,0.560343039,0.594968979,0.305885149,0.56766141,0.519726554,0.384720655,5.65170314,8.66605644,17.57511674,0.392453468,1.472108619,3.260547721,1.663838584,0.519276774,0.598962073,0.30564687,0.533619126,0.481097798,0.330109906,5.443663079,7.982144536,16.24289715,0.398443109,1.344826831 +UMLMON0128,L,1-methylcyclohexene,CC1=CCCCC1,11574,,"Sandia, UML",[1],C7H12,PubChem,,71.95,0,0.3038,0.09229444,30.4415,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1168.347606,938.408356,684.250059,478.348754,160.526016,18.289152,0,3461.958223,4376.887272,5667.785137,5590.535243,4361.573366,3075.021321,1843.095563,559.5073998,0,160.279036,159.125208,296.687832,377.261968,372.448236,249.09716,186.188544,120.932352,0,26.63610648,34.55010896,48.7938183,52.11632459,43.08272344,30.05967844,20.03172529,8.003032287,0,3846.242925,3210.7269,6654.719106,8862.797105,9238.871444,6095.657421,4611.235353,3328.517736,0,36.52777778,43.16666667,65.91666667,80.66666667,71.33333333,51,39,18,0,44.61329874,48.14991518,27.81780014,17.37793252,12.67129739,13.28746539,5.945408,1.016064,0,150.5199227,198.9494215,134.9472652,103.5284304,80.76987715,85.41725893,68.26279863,31.08374443,0,6.968653739,7.232964,7.063996,6.986332741,6.897189556,6.919365556,6.895872,6.718464,0,1.158091586,1.570459498,1.161757579,0.965117122,0.797828212,0.834991068,0.741915752,0.444612905,0,167.2279533,145.9421318,158.445693,164.1258723,171.0902119,169.3238172,170.7864946,184.917652,0,1.588164251,1.962121212,1.569444444,1.49382716,1.320987654,1.416666667,1.444444444,1,0,0.032479793,-0.005563372,-0.006666306,-0.01174386,0.005232375,0.001316487,-0.008367378,0.009552158,0,589.5388264,-58.58770946,-129.0760474,-236.6394202,84.44869059,-17.39322625,-139.3746682,201.8529677,0,1096.272622,-108.9463475,-240.0224219,-440.0411068,157.0359462,-32.34344692,-259.173147,375.354213,0,0.115486609,-0.01147693,-0.025285112,-0.046356038,0.016542919,-0.003407214,-0.027302541,0.039541611,0,4.900848691,-0.487040864,-1.073011903,-1.967188489,0.702023745,-0.144590256,-1.158624555,1.678007976,0,26.62148787,-2.645613702,-5.828617687,-10.68579909,3.813404125,-0.785416568,-6.29366697,9.114965957,0,2.845410628,-1.257929007,0.358380592,-1.202268431,0.355702583,0.857908003,-1.329395085,0.79489603,0,0.001412165,-2.53E-04,-1.59E-04,-2.17E-04,9.69E-05,3.66E-05,-3.10E-04,5.31E-04,0,25.63212289,-2.663077703,-3.073239224,-4.382211486,1.563864641,-0.483145173,-5.162024748,11.21405376,0,47.66402704,-4.952106706,-5.714819569,-8.148909385,2.908073078,-0.898429081,-9.599005446,20.85301183,0,0.005021157,-5.22E-04,-6.02E-04,-8.58E-04,3.06E-04,-9.46E-05,-0.001011205,0.002196756,0,0.213080378,-0.022138221,-0.025547902,-0.036429416,0.01300044,-0.004016396,-0.042912021,0.093222665,0,1.157455995,-0.120255168,-0.138776612,-0.197885168,0.070618595,-0.021817127,-0.233098777,0.506386998,0,0.123713506,-0.057178591,0.008532871,-0.02226423,0.006587085,0.023830778,-0.049236855,0.044160891,0,-0.179072957,-0.112395927,-0.154003888,0.068615104,0.025895756,-0.219452343,0.375788575,0,-0.103896104,-0.119897959,-0.170965608,0.061011905,-0.018849206,-0.201388889,0.4375,0,-0.103896104,-0.119897959,-0.170965608,0.061011905,-0.018849206,-0.201388889,0.4375,0,-0.103896104,-0.119897959,-0.170965608,0.061011905,-0.018849206,-0.201388889,0.4375,0,-0.103896104,-0.119897959,-0.170965608,0.061011905,-0.018849206,-0.201388889,0.4375,0,-0.103896104,-0.119897959,-0.170965608,0.061011905,-0.018849206,-0.201388889,0.4375,0,-0.462185522,0.068972835,-0.179966044,0.053244671,0.192628749,-0.397990945,0.356960951,0,1.717001922,1.200772292,1.165025936,0.738086643,0.868062476,1.139809105,1.93E-05,0,1.642857143,1.290816327,1.171296296,0.75297619,0.878472222,1.003968254,0,0,1.642857143,1.290816327,1.171296296,0.75297619,0.878472222,1.003968254,0,0,1.642857143,1.290816327,1.171296296,0.75297619,0.878472222,1.003968254,0,0,1.642857143,1.290816327,1.171296296,0.75297619,0.878472222,1.003968254,0,0,1.642857143,1.290816327,1.171296296,0.75297619,0.878472222,1.003968254,0,0,2.069609508,0.797720107,1.181239389,0.692039238,0.733800226,1.718166384,0,0,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,37.67959716,18.74753667,30.09747105,37.54779444,5.363970634,18.74753669,-0.18452381,0.06039553,0.008627933,-1.964788125,26.33453469,3.762076384,2.289616829,0,11.89,12.11009426,-0.164721692,0.055970353,5.126994334,7.491492999,6,22,22,22,6,0,0,0,0,0,17.491312,3.497227179,3.142066486,2.53245952,2.333552793,1.841296227,1.29363444,0.968750627,0.083923071,1.915797261,1.693083946,1.307633915,1.249629723,0.884913646,0.591754776,0.37871251,0.083923071,3.525573413,3.18037295,2.589675666,2.405454588,1.924093632,1.404550849,1.094121287,0.270913902,1.854858694,1.615457648,1.20518793,1.134540686,0.756083105,0.441318657,0.219998352,0.270913902,3.650070152,3.347508359,2.834314736,2.704236987,2.267753967,1.848741653,1.585086196,0.943918427,1.674881991,1.380501006,0.881459793,0.76031856,0.331946346,0.071013279,0.327811355,0.943918427,3.546450579,3.208544763,2.631521609,2.457539916,1.984104616,1.483982621,1.183161214,0.399277246,1.815985774,1.565413162,1.137990084,1.058262671,0.670273055,0.339907473,0.11253238,0.399277246,3.710568778,3.427721511,2.948217832,2.838982085,2.421735294,2.03993089,1.791956841,1.207644823,1.618555556,1.305428883,0.773602861,0.631337262,0.184116439,0.257038413,0.530403117,1.207644823,3.536188267,3.268836324,2.720209556,2.644447344,2.064607439,1.576004797,1.279868996,0.591549296,1.813452291,1.490332163,1.022653816,0.869799456,0.554810153,0.213699945,0.015430171,0.591549296,0,0,0,0,0,3,3,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.204124145,0.288675135,0.204124145,0.204124145,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,6.785416667,0,4.145185185,0,0,0,0.902731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.238472222,0,1.345416667,0,0,0,0.902731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.273472222,0,1.400462963,0,0,0,0.902731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.69047619,0.2,2.273472222,0.2,0.902731481,5.312940139,0.430601852,0.273472222,1.570833333,0.430601852,0.273472222,1.570833333,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.42857,0.14286,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.02591,1.0037,7.02591,0,0,3.27005,0.46715,3.27005,0,0,0.14395,0.02056,0.14395,0.02056,0,6,0,0,0,0,0,0,1,0.886540893,1.327484782,2.521861955,3.087929347,2.653146738,2.338066093,20.39044053,30.53214998,58.00282497,71.02237498,61.02237498,53.77552013,0.195982923,0.293460064,0.557494731,0.682632266,0.586517166,0.516863948,3.637021063,3.196077174,2.001700001,1.435632609,1.870415218,2.185495864,0.19880132,0.297680264,0.565511969,0.692449086,0.594951771,0.524296882,6.634953582,11.92628025,16.71908002,15.01711798,13.98386821,12.2100386,27.76507516,20.80617277,17.57522093,19.15547313,21.36755302,14.27981442,7,4.166666667,6,7,0,6,2.23,1.0949,0.814325285,3.639717277,1.889881575,0,2.381101578,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.039,6,4,3,2,0,0,0,0,0,28,1.945910149,1.945910149,1.609437912,1.386294361,1.098612289,0,0,0,0,0,3.36729583,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,6,1,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,0,129.6283511,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,100.1252005,4.353269587,12.67036528,1.810052182,0,0,0,52,4,4.262,24,1.224818182,2.11142556,2.86815028,3.505596004,4.583764,5.606109701,6.36847156,0,0,0,69.72220731,66.73106956,57.6696265,55.78784931,72.05834205,35.56890227,6.470774688,0,0,0,268.787596,308.3215324,318.4865441,321.2462047,431.4218165,399.5708236,197.9559424,0,0,0,8.893455721,14.97034384,20.0834547,24.28782137,31.83955585,38.73957148,42.78634691,0,0,0,2.059771149,2.597411395,2.89718899,3.046563606,4.095354512,4.294258938,2.83150464,0,0,0,176.6115071,330.5407757,467.50604,591.5953956,766.830421,951.0312158,1177.642808,0,0,0,2.460280303,3.429494663,4.380938342,4.833811803,6.78778652,8.299525207,6.36847156,0,0,0,0.427911136,0.549535126,0.621434888,0.659201804,0.88552205,0.944679607,0.652131488,0,0,0,384.7024194,152.1280071,9.347763553,164.1934093,-64.92918911,-9.846918524,220.5090101,217.0571963,19.19468208,0.700865992,0.277152784,0.017030123,0.299134008,-0.118290549,-0.017939503,211.1615533,83.50242855,5.130948422,90.12507744,-35.63936106,-5.404932503,0.074315115,0.164791783,1.269169969,10.94539636,548.8958287,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,586.8869359,24.22574944,8.372429143,1.797339331,1.797339331,521.6769573,474.2749264,81.91748164,1.099946315,6.368322693,5.789666831,4.136657849,4.466158665,7.63628977,0.709811572,4.462408855,5.691193727,2.603842297,19.56825101,7.346172766,3.228350449,4.423540967,11.38832605,4.946125219,2.93433145,3.453031965,0.410757472,1.952300582,1.267677768,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851943,0.162461632,6.332239363,0.551129504,0.090446133,0.438376387,0.515367778,2.050598107,0.100687104,0.074037153,0.010595825,0.130750194,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690875412,0.561386015,7.766265761,1.01586179,0.410823543,1.07334767,1.913633129,2.476889913,0.420725185,0.380506359,0.037402441,0.443883397,0.093040376,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691156425,2.419213533,18.30947248,6.603912652,2.922996768,4.116429695,10.43220018,4.71058109,2.66945533,3.110589162,0.366846939,1.820026094,1.129478069,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690905269,0.864753012,9.127093947,1.608730229,0.725807525,1.562231669,3.1173111,2.81844267,0.71713644,0.704684404,0.072097838,0.676264037,0.202096129,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691350436,3.327371478,24.73815598,10.46488572,4.487528447,5.632329175,15.25826066,5.884413982,4.018829111,4.874888024,0.595380333,2.465625438,1.848788887,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,2.765215168,4.923310403,1.242251115,11.81922431,2.938777342,1.431166547,2.274519741,5.246753633,3.591554248,1.292043517,1.433204595,0.152023546,1.215712266,0.443599203,1.26E-06,2.80E-33,1.20E-81,9.92E-152,1.58E-243,0,0,0,0,0,0,0,0,0,0,0,5.399567424,1.145243596,0.571116323,0.758800247,0.160940878,0.548336669,0.461434897,0.420600829,7.115927343,9.921668421,20.56927632,0.63820037,1.430372395,4.564541269,0.646523159,0.172572201,0.847854635,0.120090415,0.392766546,0.148333747,0.038945676,5.383636629,3.850366499,9.743277783,0.771781952,0.580045968,4.910239006,0.85315908,0.337751788,0.804805505,0.139835785,0.454022895,0.257366963,0.148341573,6.101149874,6.135813001,13.65187773,0.707208258,0.859731431,5.38025705,1.133725343,0.561916017,0.760363807,0.160223519,0.544445651,0.452287913,0.407295826,7.07589841,9.760044813,20.26348133,0.64054571,1.40402939,5.058190755,0.941520375,0.408362858,0.789346497,0.146927201,0.481598545,0.312958127,0.216308355,6.408073988,7.212448843,15.56530588,0.684019745,1.010865028,5.459607676,1.181052293,0.599717703,0.754050123,0.163120261,0.560523529,0.490445463,0.463297096,7.240377672,10.43060351,21.5380102,0.631075185,1.514266089,5.398490031,1.137025209,0.562535229,0.760559544,0.16018838,0.548100566,0.454781649,0.407785918,7.098050469,9.814676821,20.36569187,0.640839317,1.410668133 +UMLMON0129,L,2-Methylhexane,CCCCC(C)C,11582,,"Sandia, UML",[1],C7H16,PubChem,,46.4,0,1.657,2.745649,37.4392,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1483.122152,1201.711229,890.151364,796.171492,302.76288,36.578304,0,3947.642614,5029.877407,6806.459662,7099.250819,5648.125411,4306.94708,3126.683726,1119.0148,0,181.25648,180.900988,339.441056,442.541876,495.799312,312.005776,251.444736,241.864704,0,30.31423229,39.56609758,57.48793273,65.15144188,56.10576844,40.08763158,32.0604183,16.00606457,0,4342.872585,3643.766351,7584.388218,10150.98163,12382.08547,7580.079488,5893.952969,6657.035473,0,42.05555556,49.58333333,76.33333333,100.1111111,93.33333333,65,60,36,0,45.09238923,49.11105724,30.89837817,19.07478141,12.36321339,17.69269982,8.41008,1.016064,0,151.8324082,201.1950963,141.801243,112.6865209,78.44618626,95.7099351,86.85232572,31.08374443,0,6.971403077,7.23603952,7.071688667,7.024474222,6.886101556,6.933461689,6.984576,6.718464,0,1.165932011,1.582643903,1.197665265,1.034149871,0.779246784,0.890836257,0.890567175,0.444612905,0,167.033561,145.7506541,158.0080879,161.1266926,171.9734093,168.4462109,163.7209158,184.917652,0,1.617521368,1.983333333,1.590277778,1.589065256,1.296296296,1.444444444,1.666666667,1,0,0.035978133,-0.006702682,-5.56E-04,-0.023706017,0.009164506,0.011105438,-0.026597569,0.01930326,0,670.5194345,-58.02572029,-45.8474827,-460.6239277,191.9863338,106.0223037,-481.3985683,412.6273443,0,1246.859521,-107.9013047,-85.25535183,-856.549863,357.0067858,197.1530011,-895.1811943,767.2981665,0,0.131350154,-0.01136684,-0.008981207,-0.090233065,0.037608805,0.020769041,-0.094302675,0.080830864,0,5.574042193,-0.482369036,-0.38113109,-3.829176421,1.59598644,0.881365646,-4.001876446,3.430179811,0,30.27828566,-2.620236259,-2.070310131,-20.80014709,8.669423672,4.787592177,-21.73825637,18.63279117,0,3.487179487,-1.835963182,1.382642998,-2.524490467,0.394477318,2.650394477,-3.520710059,1.710059172,0,0.001383774,-2.68E-04,-1.16E-05,-3.76E-04,1.27E-04,2.47E-04,-7.39E-04,5.36E-04,0,25.78920902,-2.321028812,-0.95515589,-7.311490916,2.666476858,2.356051194,-13.37218245,11.46187067,0,47.95613541,-4.316052187,-1.776153163,-13.59602957,4.958427581,4.381177803,-24.86614429,21.31383796,0,0.005051929,-4.55E-04,-1.87E-04,-0.001432271,5.22E-04,4.62E-04,-0.002619519,0.002245302,0,0.214386238,-0.019294761,-0.007940231,-0.060780578,0.022166478,0.019585903,-0.111163235,0.095282773,0,1.164549448,-0.10480945,-0.043131461,-0.330161065,0.120408662,0.106390937,-0.603840455,0.517577533,0,0.134122288,-0.073438527,0.028805062,-0.040071277,0.005478852,0.058897655,-0.097797502,0.047501644,0,-0.19375071,-0.008370881,-0.271927269,0.09198379,0.178343752,-0.533917517,0.387492134,0,-0.09,-0.037037037,-0.2835097,0.103395062,0.091358025,-0.518518519,0.444444444,0,-0.09,-0.037037037,-0.2835097,0.103395062,0.091358025,-0.518518519,0.444444444,0,-0.09,-0.037037037,-0.2835097,0.103395062,0.091358025,-0.518518519,0.444444444,0,-0.09,-0.037037037,-0.2835097,0.103395062,0.091358025,-0.518518519,0.444444444,0,-0.09,-0.037037037,-0.2835097,0.103395062,0.091358025,-0.518518519,0.444444444,0,-0.54754902,0.214767157,-0.298766729,0.040849673,0.439133987,-0.729166667,0.354166667,0,1.727684548,1.084849934,1.386610512,0.680708671,0.710031646,1.706004968,0,0,1.625,1.222511574,1.36133157,0.689621914,0.802469136,1.50462963,0,0,1.625,1.222511574,1.36133157,0.689621914,0.802469136,1.50462963,0,0,1.625,1.222511574,1.36133157,0.689621914,0.802469136,1.50462963,0,0,1.625,1.222511574,1.36133157,0.689621914,0.802469136,1.50462963,0,0,1.625,1.222511574,1.36133157,0.689621914,0.802469136,1.50462963,0,0,2.15870098,0.62231924,1.419282991,0.64721201,0.424836601,2.389705882,0,0,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,49.16608976,24.45457266,38.99239413,48.97338142,6.121672678,24.45457266,-0.256944444,6.66E-16,8.33E-17,-27.95603288,28.13912446,3.517390557,2.66972875,0,11.89,12.11011416,-0.164718465,0.055995246,5.749051238,7.649059493,7,25,25,25,7,0,0,0,0,0,19.677726,3.53563143,3.244084744,2.571524722,2.333552793,2.333552793,1.729010799,1.049825983,0.930272334,1.934873803,1.742716603,1.319258135,1.249629723,1.249629723,0.796661299,0.397466728,0.365835021,3.562461002,3.277769689,2.625963664,2.405454588,2.405454588,1.813600416,1.165294468,1.05900151,1.876280062,1.670670664,1.21933619,1.134540686,1.134540686,0.664936838,0.242013658,0.205369926,3.680598535,3.426435801,2.860188687,2.704236987,2.704236987,2.165212408,1.627594413,1.560891682,1.704211162,1.456118324,0.905588564,0.76031856,0.76031856,0.230923741,0.289015115,0.350415709,3.58223573,3.302632688,2.665861445,2.457539916,2.457539916,1.87495387,1.248008524,1.150283289,1.838992329,1.624518621,1.153946055,1.058262671,1.058262671,0.577166797,0.137099727,0.096588544,3.738217315,3.498795116,2.970010819,2.838982085,2.838982085,2.322834187,1.826186331,1.771383615,1.650641827,1.38874006,0.801845208,0.631337262,0.631337262,0.079600261,0.482408586,0.556860324,3.558832738,3.345592379,2.725831247,2.634654398,2.634654398,1.930624674,1.322066015,1.245627897,1.850241512,1.567853699,1.061465701,0.878556837,0.878556837,0.482190769,0.024771883,0.028680321,0,0,0,0,0,4,2,2,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.816496581,0,0,0,0.577350269,0.333333333,0.666666667,0.577350269,0.333333333,0.666666667,6.568914101,3.625897658,3.365043969,1.321367205,0.666666667,0.666666667,0,0,0.821114263,0.51798538,0.420630496,0.264273441,0.166666667,0.166666667,0,0,6.568914101,3.625897658,3.365043969,1.321367205,0.666666667,0.666666667,0,0,0.821114263,0.51798538,0.420630496,0.264273441,0.166666667,0.166666667,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,56,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.120555556,0,2.773148148,0,0,0,1.772962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.280138889,0,1.386574074,0,0,0,0.886481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.280138889,0,1.386574074,0,0,0,0.886481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.708333333,0.2,2.280138889,0.2,0.886481481,6.030246667,0.446851852,0.280138889,2.241111111,0.446851852,0.280138889,2.241111111,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0.25,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.87961,1.10995,8.87961,0,0,3.62588,0.45324,3.62588,0,0,0.28812,0.03601,0.28812,0.03601,0,7,0,0,0,0,0,0,1,0.89049164,1.352030102,2.199687795,2.199687795,2.199687795,1.915038586,23.15278265,35.15278265,57.19188266,57.19188266,57.19188266,49.79100323,0.189448582,0.287639068,0.467974897,0.467974897,0.467974897,0.407416901,3.809948078,3.348409616,2.500751923,2.500751923,2.500751923,2.785401132,0.191756937,0.291143835,0.473676984,0.473676984,0.473676984,0.412381113,6.648700044,12.18716158,13.04145222,13.04145222,13.04145222,9.625661715,31.72521615,23.41346491,25.2115705,25.2115705,25.2115705,21.79577999,8,3.9375,7.2,8,0,6,2.34,1.2358,1.62865057,3.265986324,4,0,1,2.828427125,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,3.31,8,5,4,4,0,0,0,0,0,36,2.079441542,2.197224577,1.791759469,1.609437912,1.609437912,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,2.5,0.666666667,0.25,0.32,0,0,0,0,0,0,0.357142857,0.083333333,0.05,0.08,0,0,0,0,0,0,0.57047619,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,0,146.9243357,4,3.433987204,4.043051268,4.779123493,5.424950017,6.150602768,6.814542897,7.529943371,8.204398418,8.912338567,70.292938,2.708050201,0,3.850147602,0,5.105945474,0,6.408528791,0,7.738488122,8.049746291,114.1408506,4.390032714,14.50192071,1.812740089,0,0,0,74,5,4.77,30,1.2278,2.116942009,2.892507444,3.479983731,4.405708497,5.53224352,6.068060179,0,0,0,71.2221278,74.49919381,61.78741513,53.03174888,93.51446163,48.31318469,6.165537498,0,0,0,272.5498825,326.3003669,344.5032079,304.1038625,473.900847,493.9632619,188.6180318,0,0,0,8.919363223,15.03016952,20.35906012,24.04422866,30.69653004,38.70467445,40.76804386,0,0,0,2.081648384,2.695254639,3.103532047,2.909361266,4.267235108,5.034587882,2.697937863,0,0,0,176.77647,330.1832551,463.1518955,592.510468,730.8960688,900.6223286,1122.091441,0,0,0,2.484883333,3.501190982,4.681629088,4.65245786,6.729748087,9.381488749,6.068060179,0,0,0,0.4321989,0.568411947,0.663965988,0.630835353,0.915226043,1.09615788,0.621369362,0,0,0,405.165314,179.5694069,9.791475302,130.1345197,-57.67566401,-7.449843748,275.0307943,237.2450709,17.24131905,0.756894153,0.335455749,0.018291572,0.243105847,-0.107744595,-0.013917142,216.8849253,96.12347365,5.241375102,69.66098679,-30.87377336,-3.98790012,0.06630743,0.141139486,1.271764293,8.073897967,535.2998338,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,730.8637546,27.03449194,9.007663245,1.558857073,1.537100381,637.051562,548.5130061,127.6554937,1.1614156,4.990396759,4.296822567,4.418750872,4.466158665,7.636292013,0.709812074,5.020209962,6.639720803,3.093919498,23.182,7.17526138,6.313287287,6.074120505,12.39252649,4.615831286,3.987412726,5.844183274,1.906468719,3.348678494,1.267677843,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327215,0.183910687,8.568833001,1.046432751,0.179714311,0.476339346,0.683261464,2.013583349,0.156246655,0.230064712,0.021141123,0.140584998,0.008928359,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639354224,0.643593713,10.5173259,1.472605616,0.810765614,1.262032024,2.360303206,2.308645388,0.621250831,0.913600333,0.147207141,0.546369635,0.093040381,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639677841,2.868255774,21.92146795,6.508253668,5.718125738,5.605157,11.42343353,4.372994842,3.640720842,5.336900076,1.699506224,3.064173674,1.129478136,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.6393886,0.999031657,12.16202988,2.010075477,1.428332995,1.907366449,3.7232647,2.58130284,1.034590975,1.520129861,0.310581542,0.898877842,0.202096141,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.639901293,3.983400489,28.26466251,9.97621362,8.766319821,7.953852919,16.267064,5.609785892,5.398395357,7.908169787,2.776699124,4.502111389,1.848788996,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.121827968,5.498019155,1.382839025,15.31232514,3.172793453,2.750688293,2.846693618,6.100022966,3.023933388,1.825732438,2.843086419,0.661420682,1.668902849,0.434373847,1.23E-06,2.74E-33,1.17E-81,9.71E-152,1.55E-243,0,0,0,0,0,0,0,0,0,0,0,5.439334794,1.530513536,0.573990314,0.721030108,0.202882592,0.603920118,0.562536993,0.425972441,7.543838645,12.32560096,24.64789493,0.581545162,1.592429552,4.634076711,0.946940837,0.171278711,0.805604667,0.164619622,0.438733931,0.215031253,0.038893029,5.752296258,5.344105968,11.84800686,0.708407,0.692658213,4.965754364,1.187467515,0.337476012,0.765057078,0.182949127,0.503550105,0.338350765,0.149478172,6.490697891,7.973236775,16.45392001,0.647585617,0.991379042,5.420554319,1.516917512,0.564627199,0.722538359,0.202199079,0.599764305,0.552569964,0.412437518,7.502099029,12.13961905,24.28438429,0.583807538,1.564771787,5.108436299,1.290866924,0.408826337,0.750343579,0.189606692,0.532820412,0.399941494,0.218388932,6.80812956,9.210515145,18.7145729,0.625515368,1.151150839,5.497775737,1.572817586,0.603118314,0.716442837,0.204961779,0.616944969,0.594120884,0.469418614,7.673711638,12.91140269,25.8002774,0.574664256,1.680484467,5.437349847,1.522605483,0.564985957,0.722577046,0.202341178,0.60350173,0.556867583,0.412565596,7.524941287,12.21121571,24.4136411,0.583865569,1.572934909 +UMLMON0130,L,"2,5-Dimethylhexane",CC(C)CCC(C)C,11592,,"Sandia, UML",[1],C8H18,PubChem,,55.7,0,0.0158,2.50E-04,33.3531,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1362.056143,1135.165085,881.006788,675.105483,478.348754,160.526016,18.289152,3947.642614,5029.877407,6581.332248,6597.333588,5368.371711,4081.819666,3075.021321,1843.095563,559.5073998,181.25648,180.900988,339.41734,440.146868,435.333136,311.98206,249.09716,186.188544,120.932352,30.31423229,39.56609758,56.48150844,61.13785345,52.1042523,39.0812073,30.05967844,20.03172529,8.003032287,4342.872585,3643.766351,7578.921305,10341.75226,10717.8266,7574.612576,6095.657421,4611.235353,3328.517736,40.77777778,48.41666667,75.16666667,92.91666667,83.66666667,62.33333333,51,39,18,45.09238923,49.11105724,28.37616965,18.01849341,13.98423473,15.00234407,13.28746539,5.945408,1.016064,151.8324082,201.1950963,137.1110885,104.7195808,85.21224938,90.70710369,85.41725893,68.26279863,31.08374443,6.971403077,7.23603952,7.071194583,6.986458222,6.910049778,6.932934667,6.919365556,6.895872,6.718464,1.165932011,1.582643903,1.176698093,0.970442118,0.827051624,0.868471273,0.834991068,0.741915752,0.444612905,167.033561,145.7506541,157.8941939,164.1547978,170.1242317,168.3247239,169.3238172,170.7864946,184.917652,1.568376068,1.936666667,1.565972222,1.474867725,1.328042328,1.385185185,1.416666667,1.444444444,1,0.036661319,-0.005562139,-0.008748152,-0.011740312,0.00490429,3.17E-04,0.001313716,-0.008367403,0.009552158,670.5194345,-58.02572029,-166.9134917,-237.1174496,88.82949773,-15.04370526,-15.76007218,-137.5424481,206.3136721,1246.859521,-107.9013047,-310.3827653,-440.9300228,165.1822442,-27.97441232,-29.30652719,-255.7660555,383.6490833,0.131350154,-0.01136684,-0.032697207,-0.04644968,0.017401089,-0.002946959,-0.00308729,-0.026943621,0.040415432,5.574042193,-0.482369036,-1.387555375,-1.971162357,0.738441487,-0.125058639,-0.131013812,-1.14339327,1.715089906,30.27828566,-2.620236259,-7.537222819,-10.70738521,4.011225878,-0.679320512,-0.711669107,-6.210930392,9.316395587,3.017094017,-1.240795529,0.263313609,-1.176035503,0.420118343,-0.055226824,0.848126233,-1.325443787,0.75739645,0.001410051,-2.22E-04,-1.82E-04,-1.86E-04,7.78E-05,7.05E-06,3.65E-05,-3.10E-04,5.31E-04,25.78920902,-2.321028812,-3.47736441,-3.763769041,1.409992027,-0.334304561,-0.437779783,-5.094164744,11.46187067,47.95613541,-4.316052187,-6.46630761,-6.99888925,2.621940384,-0.621653607,-0.8140702,-9.472816871,21.31383796,0.005051929,-4.55E-04,-6.81E-04,-7.37E-04,2.76E-04,-6.55E-05,-8.58E-05,-9.98E-04,0.002245302,0.214386238,-0.019294761,-0.028907404,-0.031288291,0.011721293,-0.002779081,-0.003639273,-0.042347899,0.095282773,1.164549448,-0.10480945,-0.157025475,-0.169958495,0.063670252,-0.015096011,-0.019768586,-0.230034459,0.517577533,0.116042078,-0.049631821,0.0054857,-0.01866723,0.006668545,-0.001227263,0.023559062,-0.049090511,0.042077581,-0.157785505,-0.12925291,-0.132161309,0.055207857,0.004998746,0.025879997,-0.219782033,0.376352011,-0.09,-0.134837963,-0.145943563,0.054673721,-0.012962963,-0.016975309,-0.197530864,0.444444444,-0.09,-0.134837963,-0.145943563,0.054673721,-0.012962963,-0.016975309,-0.197530864,0.444444444,-0.09,-0.134837963,-0.145943563,0.054673721,-0.012962963,-0.016975309,-0.197530864,0.444444444,-0.09,-0.134837963,-0.145943563,0.054673721,-0.012962963,-0.016975309,-0.197530864,0.444444444,-0.09,-0.134837963,-0.145943563,0.054673721,-0.012962963,-0.016975309,-0.197530864,0.444444444,-0.427705382,0.047273371,-0.160866046,0.057466613,-0.010576015,0.203021719,-0.423040604,0.362606232,1.692219763,1.235860156,1.141057762,0.775491998,0.892984997,0.873979217,1.147505828,1.94E-05,1.625,1.316550926,1.14638448,0.78813933,0.902777778,0.877700617,1.00308642,0,1.625,1.316550926,1.14638448,0.78813933,0.902777778,0.877700617,1.00308642,0,1.625,1.316550926,1.14638448,0.78813933,0.902777778,0.877700617,1.00308642,0,1.625,1.316550926,1.14638448,0.78813933,0.902777778,0.877700617,1.00308642,0,1.625,1.316550926,1.14638448,0.78813933,0.902777778,0.877700617,1.00308642,0,2.03470255,0.834366147,1.150849858,0.690509915,0.889990557,0.78641407,1.841359773,0,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,49.17971066,24.49263311,39.41169489,49.03387732,6.129234666,24.49263311,-0.194444444,0.05549221,0.006936526,-2.313210101,31.51694111,3.939617639,2.760420171,0,11.89,12.11011416,-0.164721685,0.05599046,5.126994156,7.569956516,7,25,25,25,7,0,0,0,0,0,19.677726,3.512791118,3.238919284,2.754377525,2.333552793,2.16106297,1.602622042,1.212098241,0.967458465,1.92602284,1.749460495,1.439016878,1.249629723,1.066801236,0.747854632,0.554062797,0.378649273,3.540819883,3.274033784,2.803505181,2.405454588,2.230004045,1.69577801,1.328517454,1.093122251,1.865897482,1.676662806,1.346012258,1.134540686,0.950804492,0.609697056,0.400399929,0.219909271,3.663808076,3.427740613,3.01583014,2.704236987,2.521456068,2.07820745,1.79101269,1.584733213,1.688302405,1.458206375,1.05722802,0.76031856,0.576892714,0.14884779,0.126014232,0.328103809,3.56145617,3.299879996,2.839550007,2.457539916,2.28026614,1.763065027,1.411651868,1.182331103,1.827544674,1.629899281,1.28542041,1.058262671,0.874135771,0.51723375,0.296605772,0.112419936,3.723525777,3.501894309,3.116132114,2.838982085,2.65496015,2.247244052,1.988445773,1.791731238,1.632689995,1.38894938,0.962758478,0.631337262,0.449701075,0.014206762,0.318616961,0.530855554,3.554485372,3.348832867,2.922379464,2.657839583,2.364393205,1.850220107,1.518359463,1.288785188,1.821844405,1.566416066,1.177546527,0.857839583,0.755760656,0.393212957,0.157480166,0.024805111,0,0,0,0,0,3,4,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.144337567,0.288675135,0.204124145,0.144337567,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,6.825046296,0,5.604074074,0,0,0,0.904212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.250324074,0,1.353888889,0,0,0,0.904212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.287361111,0,1.424768519,0,0,0,0.904212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.666666667,0.2,2.287361111,0.2,0.904212963,6.033874213,0.42912037,0.287361111,1.650092593,0.42912037,0.287361111,1.650092593,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.375,0.125,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.40872,1.05109,8.40872,0,0,3.77005,0.47126,3.77005,0,0,0.14395,0.01799,0.14395,0.01799,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.52623491,3.093730583,2.430457026,2.008000925,23.15278265,34.39789514,65.68210766,80.43699516,63.19188266,52.20802404,0.189448582,0.281462171,0.537446507,0.658178972,0.517070141,0.427194272,3.809948078,3.377443751,2.174204808,1.606709135,2.269982693,2.692438793,0.191756937,0.284891675,0.543995078,0.66619862,0.523370433,0.432399463,6.648700044,11.83875197,16.75276226,14.99529819,11.79017873,12.55213632,31.72521615,24.13720728,20.30507436,22.09939553,27.99758443,21.09608714,8,5.142857143,7.2,8,0,7,2.34,1.2358,0.721124785,4.146039495,1.754410643,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.538,7,5,4,3,2,0,0,0,0,36,2.079441542,2.079441542,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,7,1,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,0,146.9243357,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,114.1408506,4.390032714,14.66595917,1.833244896,0,0,0,79,5,4.831,28,1.2278,2.11761443,2.869523731,3.522731356,4.659330025,5.700733816,6.739604562,7.6460672,0,0,71.2221278,68.08752346,60.48242812,62.56281571,83.66926384,88.14618725,43.01500053,7.768893624,0,0,272.5498825,313.605011,324.113785,344.3741487,468.6446156,530.0032674,482.2788943,237.6683987,0,0,8.919363223,15.02844115,20.09547913,24.46743974,32.43406668,39.5739121,46.58145234,51.36982723,0,0,2.081648384,2.634998592,2.924434097,3.20212955,4.347684954,5.046203377,5.177858357,3.399540149,0,0,176.77647,330.4239685,467.7042365,589.9301237,774.4454149,955.5778309,1142.590018,1413.892794,0,0,2.435676667,3.425910754,4.328745309,4.89759239,6.7048841,8.386110038,10.0005416,7.6460672,0,0,0.4321989,0.557170835,0.626552001,0.690477082,0.936577657,1.091762356,1.138840444,0.782957281,0,0,417.6863934,187.2240734,10.19522471,149.9471702,-67.21243603,-9.084440154,267.7392232,254.4365095,19.27966486,0.735838083,0.329832634,0.017960926,0.264161917,-0.118408143,-0.016004057,237.0928159,106.274668,5.787151733,85.11504654,-38.15203458,-5.156633137,0.065561676,0.145381405,0.980442389,9.464141681,567.6335635,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,697.4366738,26.40902637,8.868188725,1.99023833,1.896459864,800.2727231,752.9108926,87.83305507,1.062904961,9.111293266,8.57206768,4.546451998,4.466158665,8.836778877,0.978608361,5.020209962,6.639711035,2.900174803,24.54112878,9.321022415,3.228366089,5.252105494,11.52747078,9.750016298,3.548427425,3.887846315,7.457765018,5.146040259,3.800250312,2.755731928,0.260945109,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.421311435,6.639327146,0.184578564,7.345631963,0.565195848,0.090461646,0.56117669,0.516345165,3.206018704,0.146233275,0.034217053,0.802523222,0.253539163,0.955317836,0.114730901,0.001837924,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.360044669,6.639353507,0.634595672,9.047470715,1.161208758,0.410839064,1.335524754,1.923838833,4.192263275,0.571701187,0.301586084,1.593596027,0.935963547,1.26829292,0.447155927,0.019152065,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,4.738668689,6.639669138,2.697032192,22.84877673,8.363576457,2.923012395,4.900130534,10.55617383,9.225747141,3.24498692,3.468240385,6.849607169,4.734649826,3.531369355,2.520942422,0.23249744,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,2.004455605,6.639387042,0.97448535,10.75260052,1.924056145,0.725823057,1.921477541,3.139485701,4.973070418,0.943640996,0.639299307,2.30511668,1.498324515,1.562636949,0.736716796,0.041600681,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,6.062630571,6.639887047,3.694212814,31.53342808,13.34450521,4.487544146,6.628885491,15.46119872,11.83154466,4.779978768,5.650023847,9.937412178,6.79625955,4.903338635,3.708061929,0.380563701,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,3.145998243,5.8332612,1.431573317,14.39668315,3.73465636,1.472361706,2.797687357,5.267984438,6.514947328,1.66349802,1.419777717,4.255029879,2.550496848,2.648035925,1.438420738,0.09394055,0.05015848,5.68E-20,1.24E-59,5.23E-121,4.25E-204,0.00E+00,0,0,0,0,0,0,0,0,7.376093849,1.09401537,0.5837864,0.814687308,0.120833663,0.561019305,0.465215223,0.432107025,9.053895618,13.0142946,26.77908962,0.722030962,1.458341553,6.419161133,0.592226988,0.177884176,0.892880512,0.082376486,0.424747633,0.135713272,0.03998713,7.189272297,5.048815464,12.91433233,0.839320769,0.600448036,6.813526748,0.799063019,0.345205182,0.856207881,0.100412617,0.478606175,0.247560753,0.150836568,7.957794949,8.072342687,17.90958559,0.784311821,0.877003496,7.35379518,1.082326376,0.574331796,0.81614042,0.12011897,0.557627678,0.455285324,0.418201121,9.010453352,12.80433933,26.38601804,0.724210629,1.431114123,6.983080047,0.887971448,0.417123854,0.842535269,0.107137145,0.502753589,0.30595946,0.220359998,8.288175349,9.483979035,20.35864584,0.763802903,1.029073046,7.445477347,1.130385219,0.613203848,0.810253949,0.123014153,0.571638541,0.496801164,0.476831743,9.189066414,13.67500947,28.0249574,0.715380923,1.545271447,7.379196446,1.085871882,0.575267527,0.816252467,0.120114109,0.56149835,0.458341568,0.419362733,9.040335854,12.88254085,26.53241597,0.724378701,1.439202651 +UMLMON0131,L,2-Methylheptane,CCCCCC(C)C,11594,,"Sandia, UML",[1],C8H18,PubChem,,23.8,0,0.4384,0.19219456,26.3209,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,814.203604,644.794923,450.070322,253.313593,67.647888,6.096384,0,2914.106344,3494.423905,4091.649529,3665.843967,2721.213111,1714.414766,791.2692929,186.5024666,0,125.864664,123.114164,212.42632,257.436012,207.98804,145.10314,82.617408,40.310784,0,22.06875486,27.30703172,35.42523222,34.18644125,26.0541382,17.03260934,8.680011884,2.667677429,0,2979.777961,2471.442353,4710.929395,6158.861568,5049.741717,3570.786562,2060.036303,1109.505912,0,35.75,39.5,52.75,57.5,47.5,35,20,6,0,48.76541633,50.97680359,27.14012013,17.42688981,15.00234407,12.06255205,5.637324,1.016064,0,161.8947969,205.5543474,136.3883176,99.07686397,90.70710369,81.63879838,65.93910774,31.08374443,0,6.992481333,7.242009647,7.080877333,6.957730054,6.932934667,6.909673333,6.884784,6.718464,0,1.226041937,1.606295984,1.180841074,0.923957872,0.868471273,0.811076635,0.723334324,0.444612905,0,165.54322,145.3789619,157.0309798,166.4557181,168.3247239,170.0374553,171.6696919,184.917652,0,1.986111111,2.323529412,1.758333333,1.554054054,1.583333333,1.666666667,1.666666667,1,0,0.045054579,-0.007629605,-0.020787935,0.001772882,0.002983004,-0.001672888,-0.004523679,0.00733093,0,484.264036,-53.80711511,-201.7766817,-26.90355756,-2.45E-13,-1.88E-13,-40.35533633,80.71067267,0,900.5096538,-100.0566282,-375.2123557,-50.0283141,-1.49E-13,-9.24E-14,-75.04247115,150.0849423,0,0.094864,-0.010540444,-0.039526667,-0.005270222,-4.52E-16,-4.59E-16,-0.007905333,0.015810667,0,4.025697139,-0.447299682,-1.677373808,-0.223649841,-1.11E-15,-1.11E-15,-0.335474762,0.670949523,0,21.86765075,-2.429738973,-9.111521147,-1.214869486,-2.40E-14,-2.49E-14,-1.822304229,3.644608459,0,5.069444444,-0.718364198,-1.212962963,-0.198302469,0.064814815,0.293981481,-1.324074074,0.560185185,0,0.002503032,-4.49E-04,-6.93E-04,4.79E-05,9.94E-05,-7.97E-05,-3.77E-04,0.001221822,0,26.90355756,-3.165124418,-6.725889389,-0.727123177,-8.17E-15,-8.97E-15,-3.362944694,13.45177878,0,50.0283141,-5.885684011,-12.50707852,-1.352116597,-4.97E-15,-4.40E-15,-6.253539262,25.01415705,0,0.005270222,-6.20E-04,-0.001317556,-1.42E-04,-1.51E-17,-2.18E-17,-6.59E-04,0.002635111,0,0.223649841,-0.026311746,-0.05591246,-0.00604459,-3.70E-17,-5.29E-17,-0.02795623,0.111824921,0,1.214869486,-0.142925822,-0.303717372,-0.03283431,-7.99E-16,-1.18E-15,-0.151858686,0.607434743,0,0.281635802,-0.042256718,-0.040432099,-0.005359526,0.002160494,0.013999118,-0.110339506,0.093364198,0,-0.179302651,-0.276836696,0.019143074,0.039725209,-0.031825925,-0.150606618,0.488136632,0,-0.117647059,-0.25,-0.027027027,-3.04E-16,-3.33E-16,-0.125,0.5,0,-0.117647059,-0.25,-0.027027027,-9.94E-17,-8.79E-17,-0.125,0.5,0,-0.117647059,-0.25,-0.027027027,-2.86E-15,-4.15E-15,-0.125,0.5,0,-0.117647059,-0.25,-0.027027027,-1.65E-16,-2.36E-16,-0.125,0.5,0,-0.117647059,-0.25,-0.027027027,-6.58E-16,-9.75E-16,-0.125,0.5,0,-0.15004029,-0.143561644,-0.019029989,0.007671233,0.049706458,-0.391780822,0.331506849,0,1.455868032,1.214631295,0.775218228,0.819205292,1.052855322,1.284161349,0.172028906,0,1.5,1.345833333,0.918918919,0.85,0.80952381,0.885416667,0,0,1.5,1.345833333,0.918918919,0.85,0.80952381,0.885416667,0,0,1.5,1.345833333,0.918918919,0.85,0.80952381,0.885416667,0,0,1.5,1.345833333,0.918918919,0.85,0.80952381,0.885416667,0,0,1.5,1.345833333,0.918918919,0.85,0.80952381,0.885416667,0,0,1.479452055,0.880273973,0.781710478,0.880273973,1.077886497,1.956164384,0,0,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,31.27682875,15.44396993,25.9887257,31.01756949,5.169594915,15.44397043,-0.388888889,0.124574688,0.020762448,-1.249709906,18.41195241,3.068658735,1.747800025,0,11.79,12.21003864,-0.306948088,0.113259644,5.043588996,6.867641906,5,17,16,16,4,1,1,0,0,1,13.118484,3.458920783,3.081433849,2.474593995,1.798301595,1.270833524,0.912162299,0.083923071,0.083923071,1.871067874,1.601124015,1.234242683,0.85315218,0.583297216,0.349823653,0.083923071,0.083923071,3.486242029,3.116946261,2.529913706,1.881474931,1.383461819,1.040132512,0.270913902,0.270913902,1.810042582,1.526761479,1.132871809,0.722633833,0.431818797,0.188559346,0.270913902,0.270913902,3.607337672,3.272942385,2.768036719,2.228163834,1.833651535,1.54162827,0.943918427,0.943918427,1.63167727,1.303946671,0.814188514,0.293094176,0.085189605,0.369467173,0.943918427,0.943918427,3.506424851,3.143118662,2.570467833,1.941863518,1.464075869,1.131075451,0.399277246,0.399277246,1.771268192,1.479012186,1.066499307,0.635696325,0.329627854,0.079258848,0.399277246,0.399277246,3.6667978,3.348444081,2.879665477,2.383968123,2.026932228,1.752709359,1.207644823,1.207644823,1.576518823,1.233500967,0.70872011,0.14362648,0.273414305,0.576303946,1.207644823,1.207644823,3.56331855,3.201166553,2.622093931,1.974529291,1.501563956,1.238745386,0.52173913,0.52173913,1.825286888,1.397650368,0.953927062,0.566776652,0.26877056,0.041428646,0.52173913,0.52173913,0,0,1,1,0,1,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.405777394,2.523603362,1.43090366,0.761801681,0.348461713,0.144337567,0,0,0.734296232,0.504720672,0.357725915,0.253933894,0.174230856,0.144337567,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,4,1,0,2,0,0,0,0,0,0,0,0,1,1,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.56,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.389652778,0.334097222,0,0,0.97625,0.290277778,0,0.72375,0,0,0,0,0,0,0,0,2.184027778,3.598194444,3.755972222,0,1.961805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.961805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.389652778,0.334097222,0,0,0.216944444,0.290277778,0,0.334097222,0,0,0,0,0,0,0,0,2.184027778,3.598194444,1.177083333,0,1.961805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.598194444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.389652778,0.334097222,0,0,0.290277778,0.290277778,0,0.389652778,0,0,0,0,0,0,0,0,2.184027778,3.598194444,1.295138889,0,1.961805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.5,1.916666667,0.389652778,3.598194444,0.216944444,1.177083333,4.44741,0.322916667,0.598194444,1.564444444,0.322916667,0.598194444,1.564444444,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.33333,0,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.16595,0.69433,5.31294,1.14699,0.19117,2.34933,0.39156,2.91421,0.56488,0.09415,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.209690973,3.239097918,3.350209029,3.46132014,2.99799514,16.52932501,39.77443751,58.30376252,60.30376252,62.30376252,53.96391252,0.220218789,0.529911443,0.776776061,0.803421891,0.83006772,0.718956609,3.251629167,1.960234029,0.930827083,0.819715972,0.708604861,1.171929861,0.220218789,0.529911443,0.776776061,0.803421891,0.83006772,0.718956609,6.73287657,16.28447751,18.54329237,17.43392015,18.76725349,13.20735349,23.69925001,15.57894792,13.20167153,14.12832153,12.68170487,9.901754865,6,5,5.333333333,6,2,6,2.12,0.911,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,2.661,4,3,2,1,0,0,0,0,0,21,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,0,3.295836866,1.238095238,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.6,4,0.8,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,109.6959078,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,84.09390038,4.671883355,10.83915043,1.806525072,0,0,0,35,3,3.388,18,1.219,2.124655496,2.87026109,3.599440952,4.930369098,5.978086629,7.169405074,0,0,0,72.30904117,64.6414684,60.43324486,69.47631059,69.63408749,36.88897661,7.284574397,0,0,0,274.3286679,309.9824628,311.5229656,381.2510511,437.4092892,418.2391145,222.851955,0,0,0,8.860546952,15.09132023,20.02155858,25.12134335,34.17003774,41.27259223,48.16738989,0,0,0,2.086978642,2.633030145,2.809776862,3.492366966,4.229824878,4.516466754,3.187610016,0,0,0,175.1912326,330.2480674,474.2540474,593.2629008,830.6054913,1017.115495,1325.749553,0,0,0,2.908147059,3.848892297,4.616597368,6.181134853,8.642988481,10.40297177,7.169405074,0,0,0,0.432999265,0.557556943,0.602581451,0.750469978,0.917494976,0.994458414,0.73414708,0,0,0,354.9261424,141.8046153,11.60283628,172.2757127,-68.82978805,-11.96992996,182.6504297,210.6344033,23.57276624,0.673226278,0.268975941,0.022008337,0.326773722,-0.130556802,-0.022704643,187.1177207,74.75965623,6.117036813,90.82407533,-36.28719195,-6.310569281,0.141740147,0.256876213,2.925498362,6.672767062,527.2018551,0,1,0,331.0578085,18.19499405,6.917799096,447.9391783,21.16457366,7.651378443,470.406918,21.68886622,7.777223265,2.274474557,2.274474557,418.6850913,400.7989294,31.24470959,1.044626271,13.40019148,12.82773739,3.603042686,4.466158665,7.71775273,0.728051623,3.591793317,3.914879446,2.830842966,12.94577407,6.43685253,1.02735528,4.032441475,9.057111411,3.896184515,0.529466082,1.534601771,1.598253814,1.550431541,0.017449186,6.94E-04,5.32E-27,7.87E-72,2.25E-138,1.24E-226,0,0,0,0,0,0,0,0,0,0,0,0.301445031,3.914691945,0.184264475,3.920421939,0.048232772,0.084788813,0.413582797,0.242875725,1.712715599,0.036822613,0.100186293,0.085980945,0.074062434,1.23E-04,4.89E-06,3.75E-29,5.55E-74,1.58E-140,8.71E-229,0,0,0,0,0,0,0,0,0,0,0,0.973075264,3.914704874,0.629954714,4.640094862,0.479872777,0.267503382,1.143307203,1.124846654,2.071706289,0.123883519,0.317375688,0.309023168,0.276018499,0.001280673,5.09E-05,3.91E-28,5.78E-73,1.65E-139,9.07E-228,0,0,0,0,0,0,0,0,0,0,0,3.390360553,3.914859001,2.635378735,11.99611196,5.737114814,0.966226391,3.807727152,8.193034361,3.731841864,0.494531611,1.420041203,1.47537522,1.424884026,0.015546911,6.18E-04,4.74E-27,7.01E-72,2.00E-138,1.10E-226,0,0,0,0,0,0,0,0,0,0,0,1.434128364,3.914721275,0.963975853,5.467449117,1.035217733,0.395806391,1.646901076,2.002628451,2.343885722,0.187655976,0.488918203,0.487564408,0.444169621,0.002781791,1.11E-04,8.48E-28,1.26E-72,3.58E-139,1.97E-227,0,0,0,0,0,0,0,0,0,0,0,4.337608177,3.914965322,3.592530585,16.91286411,9.378093652,1.257577606,4.868057209,12.62481777,4.539497412,0.664234574,1.989136839,2.087619419,2.055204989,0.025447997,0.001011965,7.76E-27,1.15E-71,3.28E-138,1.80E-226,0,0,0,0,0,0,0,0,0,0,0,1.924005911,2.866946517,1.343660624,5.894278932,1.764854296,0.413376995,2.601724555,2.782704901,3.021492797,0.261302446,0.801108213,0.699301204,0.689686057,0.004749875,1.89E-04,1.45E-27,2.14E-72,6.12E-139,3.37E-227,0,0,0,0,0,0,0,0,0,0,0,5.449928347,0.787710856,0.368189675,0.825018094,0.119244817,0.517053894,0.554548115,0.444431505,6.605828877,6.589602072,14.77605734,0.73752714,1.516033514,4.731882475,0.292070363,0.079375888,0.927214908,0.057231344,0.389995847,0.076041412,0.020655648,5.103328726,1.780823348,6.993852935,0.890822362,0.486692906,5.016769728,0.489219939,0.194083349,0.880123766,0.08582696,0.43822327,0.213779667,0.123491818,5.700073016,3.522924699,9.699337214,0.820185648,0.775494755,5.432122407,0.775469341,0.361039459,0.826979356,0.118056459,0.513682047,0.537462632,0.427337463,6.568631207,6.45362995,14.5431198,0.740469034,1.478482142,5.143884527,0.576968795,0.245213186,0.862190276,0.096708408,0.460667106,0.297484712,0.197128432,5.966066509,4.370689531,11.06451466,0.793285413,0.955280251,5.505683066,0.826026695,0.390575091,0.819019602,0.122878859,0.527684987,0.609732648,0.500115958,6.722284852,7.020849302,15.51940764,0.728529403,1.637533592,5.475525829,0.773681135,0.360548002,0.828400728,0.117051409,0.521923309,0.53498316,0.426174847,6.609754966,6.489450124,14.62659857,0.742601093,1.483081316 +UMLMON0132,L,1-Hexene,CCCCC=C,11597,,"Sandia, UML",[1],C6H12,PubChem,,63.4,0,1.9262,3.71024644,29.198,17.22793,0,0,16,6,10,0,6,0,0,0,0,0,0,0,0,0,875.745366,842.391485,774.834148,614.484363,421.79189,226.051225,52.492608,4.064256,0,2851.938855,3264.950672,3654.188447,3249.868268,2367.4049,1391.6903,583.2814432,124.3349777,0,112.427736,108.8789,170.918032,202.889964,166.87892,110.712484,55.344384,26.873856,0,21.17952905,25.0799431,30.75076058,29.2916752,22.04859796,13.471682,6.232628859,1.778451619,0,2609.942657,2165.197258,3696.808796,4743.110561,4003.826014,2709.788511,1352.160799,739.6706081,0,40.5,42.25,50,54,46,32,16,4,0,54.73408538,56.15943233,32.28475617,21.18911597,17.57466208,14.12820156,6.561576,1.016064,0,178.2461784,217.6633782,152.2578519,112.064423,98.64187085,86.98064374,72.9101804,31.08374443,0,7.0267335,7.258593333,7.121584667,6.996205655,6.953288333,6.91953025,6.918048,6.718464,0,1.323720566,1.671996207,1.281281691,1.010057765,0.918691582,0.841980125,0.779078607,0.444612905,0,163.121416,144.3464838,154.0336998,163.5555366,166.8260839,169.3617819,169.0200999,184.917652,0,2.53125,2.816666667,2.083333333,1.862068966,1.916666667,2,2,1,0,0.06112864,-0.010659406,-0.02990795,0.003356601,0.009123919,-0.004007315,-0.009780289,0.01131012,0,453.9975338,-47.29140977,-196.7322646,-51.07472255,15.13325112,30.26650225,-45.39975338,68.09963006,0,844.2278004,-87.94039587,-365.8320468,-94.97562754,28.14092668,56.28185336,-84.42278004,126.6341701,0,0.088935,-0.009264062,-0.0385385,-0.010005188,0.0029645,0.005929,-0.0088935,0.01334025,0,3.774091068,-0.393134486,-1.635439463,-0.424585245,0.125803036,0.251606071,-0.377409107,0.56611366,0,20.50092258,-2.135512769,-8.883733119,-2.30635379,0.683364086,1.366728172,-2.050092258,3.075138387,0,7.4375,-1.50390625,-2.46875,-1.07421875,0.71875,1.8125,-1.96875,0.765625,0,0.00382054,-7.11E-04,-0.001246165,1.16E-04,3.80E-04,-2.50E-04,-0.001222536,0.00282753,0,28.37484586,-3.152760651,-8.197177693,-1.761197329,0.63055213,1.891656391,-5.674969172,17.02490752,0,52.76423752,-5.862693058,-15.24300195,-3.275021639,1.172538612,3.517615835,-10.5528475,31.65854251,0,0.005558437,-6.18E-04,-0.001605771,-3.45E-04,1.24E-04,3.71E-04,-0.001111688,0.003335062,0,0.235880692,-0.026208966,-0.068143311,-0.014640871,0.005241793,0.015725379,-0.047176138,0.141528415,0,1.281307661,-0.142367518,-0.370155547,-0.079529441,0.028473504,0.085420511,-0.256261532,0.768784597,0,0.46484375,-0.100260417,-0.102864583,-0.037042026,0.029947917,0.11328125,-0.24609375,0.19140625,0,-0.18600174,-0.326174983,0.030295418,0.099505119,-0.06555544,-0.319990409,0.740086503,0,-0.111111111,-0.288888889,-0.062068966,0.022222222,0.066666667,-0.2,0.6,0,-0.111111111,-0.288888889,-0.062068966,0.022222222,0.066666667,-0.2,0.6,0,-0.111111111,-0.288888889,-0.062068966,0.022222222,0.066666667,-0.2,0.6,0,-0.111111111,-0.288888889,-0.062068966,0.022222222,0.066666667,-0.2,0.6,0,-0.111111111,-0.288888889,-0.062068966,0.022222222,0.066666667,-0.2,0.6,0,-0.215686275,-0.221288515,-0.079687047,0.06442577,0.243697479,-0.529411765,0.411764706,0,1.33775597,1.234060716,0.794906734,0.769357209,1.055085323,1.489746225,0,0,1.333333333,1.333333333,0.965517241,0.833333333,0.75,1,0,0,1.333333333,1.333333333,0.965517241,0.833333333,0.75,1,0,0,1.333333333,1.333333333,0.965517241,0.833333333,0.75,1,0,0,1.333333333,1.333333333,0.965517241,0.833333333,0.75,1,0,0,1.333333333,1.333333333,0.965517241,0.833333333,0.75,1,0,0,1.445378151,0.945378151,0.904085772,0.882352941,0.756302521,2.016806723,0,0,20.45507159,10.2275358,17.10689764,20.45507159,3.409178599,10.22764316,-7.11E-15,1.11E-16,1.85E-17,-22.04208034,17.57227632,2.928712721,1.719793471,20.45507159,10.2275358,17.10689764,20.45507159,3.409178599,10.22764316,-7.11E-15,1.11E-16,1.85E-17,-22.04208034,17.57227632,2.928712721,1.719793471,20.45507159,10.2275358,17.10689764,20.45507159,3.409178599,10.22764316,-7.11E-15,1.11E-16,1.85E-17,-22.04208034,17.57227632,2.928712721,1.719793471,20.45507159,10.2275358,17.10689764,20.45507159,3.409178599,10.22764316,-7.11E-15,1.11E-16,1.85E-17,-22.04208034,17.57227632,2.928712721,1.719793471,20.45507159,10.2275358,17.10689764,20.45507159,3.409178599,10.22764316,-7.11E-15,1.11E-16,1.85E-17,-22.04208034,17.57227632,2.928712721,1.719793471,20.45507159,10.2275358,17.10689764,20.45507159,3.409178599,10.22764316,-7.11E-15,1.11E-16,1.85E-17,-22.04208034,17.57227632,2.928712721,1.719793471,32.6985227,16.09926135,27.78068742,32.36518937,5.394198228,16.09926163,-0.5,1.67E-16,2.78E-17,-21.79880128,15.09608235,2.516013725,1.628661158,0,11.79,12.21003864,-0.306803057,0.113410186,5.065291462,6.953009198,5,15,13,13,3,2,2,0,0,2,10.93207,3.478225918,3.113631935,2.435431431,1.629061439,0.964924317,0.880702308,0.083923071,0.083923071,1.848725124,1.550082828,1.161168607,0.73615055,0.361732739,0.340579076,0.083923071,0.083923071,3.502639563,3.141576011,2.485814003,1.715787555,1.085822076,1.012020186,0.270913902,0.270913902,1.793389557,1.484029823,1.060824261,0.599485824,0.202428229,0.178018289,0.270913902,0.270913902,3.610957912,3.2675261,2.70764092,2.079740848,1.568148295,1.523470719,0.943918427,0.943918427,1.632772187,1.293202104,0.751505396,0.148080927,0.345295195,0.386291185,0.943918427,0.943918427,3.520676744,3.162338536,2.523032488,1.778957544,1.172369805,1.105121541,0.399277246,0.399277246,1.758340659,1.442221267,0.995577481,0.508300495,0.094667745,0.067725538,0.399277246,0.399277246,3.664285536,3.330430817,2.814178568,2.243719329,1.774030351,1.737548156,1.207644823,1.207644823,1.583362147,1.235174985,0.651661677,0.009206699,0.546259991,0.5964083,1.207644823,1.207644823,3.498331687,3.290539273,2.542536999,1.769062923,1.216783116,1.134518332,0.461538462,0.461538462,1.845866142,1.357313309,0.921747066,0.49610999,0.041891935,0.019613119,0.461538462,0.461538462,0,0,2,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,3.983127663,2.132993162,1.154700538,0.574914957,0.23570226,0.083333333,0,0,0.663854611,0.426598632,0.288675135,0.191638319,0.11785113,0.083333333,0,0,8.709139019,15.43918427,14.62745098,14.8,9.992772455,121.8839701,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,1.99098,29.088,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,2,2,0,4,0,0,0,0,0,0,0,0,0,2,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.88194444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.813194444,0.719444444,0,0,0.667361111,0.667361111,0,1.532638889,0,0,0,0,0,0,0,0,0,7.100833333,2.118055556,0,3.781111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.890555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0.359722222,0,0,0.333680556,0.333680556,0,0.359722222,0,0,0,0,0,0,0,0,0,3.550416667,1.059027778,0,1.890555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.550416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0.359722222,0,0,0.333680556,0.333680556,0,0.406597222,0,0,0,0,0,0,0,0,0,3.550416667,1.059027778,0,1.890555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13,2.166666667,0.406597222,3.550416667,0.333680556,1.059027778,4.337678889,0.440972222,0.550416667,2.201666667,0.440972222,0.550416667,2.201666667,3,0.5,0,0,0.45,0.7,0.42,0.42,0.7,0.03,0.03,0,0,0.71429,0,0,0.33333,0,0,4.5,0.75,2.5,0.41667,2,0.33333,-0.5,-0.08333,0,0,3.11275,0.51879,5.31294,2.20019,0.3667,1.78445,0.29741,2.91421,1.12976,0.18829,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,0.333333333,0.954434003,2.155639062,2.5,2.5,2.5,2.125,15.27094405,34.490225,40,40,40,34,0.238608501,0.538909766,0.625,0.625,0.625,0.53125,3.045565997,1.844360938,1.5,1.5,1.5,1.875,0.233502796,0.527378265,0.611626355,0.611626355,0.611626355,0.519882402,6.794779896,14.53870385,14.88575942,14.88575942,14.88575942,10.38575942,23.34095565,18.68383437,18.25,18.25,18.25,13.75,6,5,5.333333333,6,2,6,2.12,0.868,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.131,0.136,0.207,0.294,2.554,4,3,2,1,0,0,0,0,0,21,2.079441542,1.945910149,1.791759469,1.609437912,1.609437912,0,0,0,0,0,3.496507561,1.523809524,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.6,3,0.6,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,107.0594491,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,82.07825032,5.129890645,10.83915043,1.806525072,0,0,0,35,3,3.022,18,1.2166,2.15550338,2.925880877,3.661005681,4.98356708,6.108964496,7.296621486,0,0,0,78.08556488,77.04295297,73.65692911,81.73736804,82.26348551,43.48941882,7.413834413,0,0,0,287.6178363,348.428095,357.1452791,419.8064103,472.8607649,471.0874341,226.8063175,0,0,0,8.862041681,15.39222324,20.52006499,25.62527029,34.59550083,42.38465561,49.02208877,0,0,0,2.157903525,2.882111446,3.121559103,3.748866396,4.453303157,4.964727884,3.244172074,0,0,0,173.6671565,329.0893831,475.1887635,598.0460248,835.6747123,1022.776579,1349.274113,0,0,0,3.51645,4.622266835,5.662691039,7.747163663,10.68128629,12.83193614,7.296621486,0,0,0,0.4465905,0.60733613,0.665542073,0.802125658,0.962083774,1.088098413,0.74717404,0,0,0,270.4641621,121.7231266,12.65760731,181.993346,-81.90659686,-16.60375725,88.47081614,203.6297234,29.26136456,0.597766989,0.269026648,0.02797524,0.402233011,-0.181026053,-0.036696832,122.3735408,55.07454254,5.727029463,82.34425583,-37.05925471,-7.512494629,0.125850081,0.228020393,2.68105128,15.1450123,452.4575081,0,1,0,351.7077712,18.7538735,7.05874221,449.8520058,21.20971489,7.662254162,492.5723386,22.19397077,7.897506763,2.258179632,2.258179632,399.2414396,380.4919189,25.40798688,1.049277054,15.71322598,14.97528791,3.465488042,4.57798827,7.986492119,0.744541849,3.278978886,3.087092225,3.44843919,10.4487165,5.340399271,1.911385148,5.535358693,4.646962029,5.198956249,1.30E-06,2.135447838,0.813923607,1.824834014,8.88E-05,0.981919172,3.53E-12,2.45E-45,3.28E-100,8.47E-177,4.22E-275,0,0,0,0,0,0,0,0,0,0,0.275203392,3.087007217,0.219166372,3.764021233,0.040483128,0.168571771,0.464803032,0.116424914,1.391447078,1.09E-07,0.166603089,0.068309343,0.143074179,6.25E-07,0.006915737,2.49E-14,1.73E-47,2.31E-102,5.96E-179,2.97E-277,0,0,0,0,0,0,0,0,0,0,0.888338008,3.087013147,0.753777079,4.341639256,0.399329343,0.524290617,1.481911543,0.556091839,1.98027719,3.51E-07,0.358677675,0.220503049,0.468497284,6.52E-06,0.072067312,2.59E-13,1.80E-46,2.41E-101,6.21E-178,3.09E-276,0,0,0,0,0,0,0,0,0,0,3.095089902,3.08708298,3.206682795,9.761115429,4.760175948,1.80468198,5.218610482,4.197989136,4.899226435,1.22E-06,1.94069324,0.768276907,1.71555963,7.91E-05,0.874872304,3.15E-12,2.18E-45,2.92E-100,7.54E-177,3.76E-275,0,0,0,0,0,0,0,0,0,0,1.309235701,3.087020609,1.15775285,4.971794147,0.860333646,0.768488328,2.18543953,1.00194928,2.440419678,5.18E-07,0.552827374,0.324979868,0.697193027,1.42E-05,0.156539831,5.63E-13,3.91E-46,5.23E-101,1.35E-177,6.72E-276,0,0,0,0,0,0,0,0,0,0,3.959837022,3.087131042,4.393584108,13.31066069,7.779108448,2.306469602,6.715324744,6.504164394,6.384381961,1.57E-06,2.940811474,0.982933621,2.236601773,1.29E-04,1.43203683,5.15E-12,3.57E-45,4.78E-100,1.23E-176,6.15E-275,0,0,0,0,0,0,0,0,0,0,1.58538157,1.910927553,1.386143838,4.483238149,1.15320102,0.616389962,3.16385978,1.105837089,3.325297585,5.52E-07,0.754010788,0.520139022,1.110354264,1.89E-05,0.209166214,7.52E-13,5.22E-46,6.99E-101,1.80E-177,8.98E-276,0,0,0,0,0,0,0,0,0,0,5.360661088,0.847095519,0.2064615,0.835746618,0.132065281,0.500459709,0.557316844,0.25,6.414218107,5.822654729,13.17441285,0.753619926,1.307776553,4.595040013,0.268904179,0.04053528,0.936906768,0.054828281,0.367673106,0.055998165,0.009636697,4.904479472,1.432786801,6.387352697,0.905360153,0.433307968,4.881885035,0.485990969,0.102757878,0.892380141,0.088836318,0.414987178,0.183270927,0.061928721,5.470633883,2.92414359,8.638575887,0.838570211,0.660186826,5.339869341,0.83144463,0.201961773,0.837853179,0.130457972,0.496578416,0.536922257,0.239221496,6.373275743,5.686175198,12.95612197,0.756779768,1.272722168,5.016765321,0.587873632,0.131992004,0.874514215,0.102477157,0.438242146,0.268313586,0.10217793,5.736630957,3.688991578,9.814896528,0.811771323,0.808733661,5.426422364,0.896579209,0.220691285,0.829259943,0.137014256,0.512837261,0.624277392,0.285648678,6.543692858,6.260648813,13.87805277,0.743889914,1.422763331,5.388525399,0.827031419,0.201021486,0.839781757,0.128889788,0.505672588,0.531233263,0.236999161,6.416578304,5.705940273,13.01836677,0.759672635,1.273905012 +UMLMON0133,L,"1,5-hexadiene",C=CCCC=C,11598,,"Sandia, UML",[1],C6H10,PubChem,,37.6,0,-0.0056,3.14E-05,27.9392,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,803.11258,619.564683,443.973938,275.495641,84.835296,9.144576,0,2914.106344,3494.423905,4007.996657,3405.28699,2534.710644,1881.72051,1061.424631,279.7536999,0,125.864664,123.114164,212.027152,236.482284,167.677256,145.901476,123.32736,60.466176,0,22.06875486,27.30703172,34.75630082,31.51473972,23.38646077,18.37047215,12.01662072,4.001516144,0,2979.777961,2471.442353,4742.724499,5667.698821,3940.235805,3507.196353,3137.747111,1664.258868,0,32.5,38,54,54.25,38,31,24,9,0,48.76541633,50.97680359,26.77041933,18.22249068,18.49891408,13.11884005,4.713072,1.016064,0,161.8947969,205.5543474,133.5998886,100.1554997,105.6129435,89.60573856,58.96803508,31.08374443,0,6.992481333,7.242009647,7.067571733,6.955361294,6.986552333,6.947689333,6.85152,6.718464,0,1.226041937,1.606295984,1.158543361,0.926904109,0.974435865,0.874784388,0.66759004,0.444612905,0,165.54322,145.3789619,158.0908166,166.6970241,164.1764919,167.0093502,174.3192839,184.917652,0,1.805555556,2.235294118,1.8,1.595588235,1.583333333,1.476190476,1.333333333,1,0,0.039464444,-0.004186059,-0.0152022,-0.003379639,-0.004406006,0.002692398,-1.24E-04,0.0048733,0,484.264036,-53.80711511,-161.4213453,13.45177878,-80.71067267,-80.71067267,-2.74E-13,121.066009,0,900.5096538,-100.0566282,-300.1698846,25.01415705,-150.0849423,-150.0849423,-1.49E-13,225.1274134,0,0.094864,-0.010540444,-0.031621333,0.002635111,-0.015810667,-0.015810667,-6.81E-16,0.023716,0,4.025697139,-0.447299682,-1.341899046,0.111824921,-0.670949523,-0.670949523,-1.78E-15,1.006424285,0,21.86765075,-2.429738973,-7.289216918,0.607434743,-3.644608459,-3.644608459,-3.55E-14,5.466912688,0,3.111111111,-0.688271605,-0.518518519,-0.12654321,-0.759259259,0.12037037,-0.277777778,0.694444444,0,0.002192469,-2.46E-04,-5.07E-04,-9.94E-05,-1.84E-04,1.28E-04,-6.89E-06,5.41E-04,0,26.90355756,-3.165124418,-5.380711511,0.395640552,-3.362944694,-3.843365365,-1.52E-14,13.45177878,0,50.0283141,-5.885684011,-10.00566282,0.735710501,-6.253539262,-7.146902014,-8.29E-15,25.01415705,0,0.005270222,-6.20E-04,-0.001054044,7.75E-05,-6.59E-04,-7.53E-04,-3.78E-17,0.002635111,0,0.223649841,-0.026311746,-0.044729968,0.003288968,-0.02795623,-0.031949977,-9.87E-17,0.111824921,0,1.214869486,-0.142925822,-0.242973897,0.017865728,-0.151858686,-0.173552784,-1.97E-15,0.607434743,0,0.172839506,-0.040486565,-0.017283951,-0.003721859,-0.031635802,0.005731922,-0.015432099,0.077160494,0,-0.11231117,-0.231127546,-0.045337531,-0.083733706,0.05847719,-0.003142482,0.246971662,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-5.65E-16,0.5,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-1.66E-16,0.5,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-7.18E-15,0.5,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-4.41E-16,0.5,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-1.62E-15,0.5,0,-0.234243697,-0.1,-0.021533613,-0.183035714,0.033163265,-0.089285714,0.446428571,0,1.398348862,1.285837066,1.15119283,1.184761504,0.647024435,0.527256219,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.607142857,1.138392857,1.004464286,1.081473214,0.715561224,0.910714286,0,0,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,23.18733663,11.53811276,18.27367927,23.11326256,3.852210426,11.53813808,-0.111111111,1.11E-16,1.85E-17,-22.04208034,32.04937936,5.341563227,2.080366691,0,11.89,12.11007471,-0.160379043,0.061014257,5.123186858,6.731390504,5,17,16,16,4,1,1,0,0,1,13.118484,3.489144524,3.014912052,2.504383072,1.782561578,1.406975249,0.752169233,0.083923071,0.083923071,1.860497646,1.621651493,1.229175443,0.852171619,0.622414124,0.260696959,0.083923071,0.083923071,3.512714551,3.057830648,2.557249633,1.867645456,1.509042223,0.888243438,0.270913902,0.270913902,1.803408681,1.537703988,1.132347359,0.720700548,0.47943536,0.093646601,0.270913902,0.270913902,3.618949941,3.243979352,2.78443186,2.220702445,1.921270315,1.418282275,0.943918427,0.943918427,1.640660717,1.280475253,0.828427333,0.286568306,0.003665697,0.488360286,0.943918427,0.943918427,3.530218238,3.08934128,2.595977363,1.929323787,1.582344855,0.984772273,0.399277246,0.399277246,1.767495391,1.483314233,1.069004016,0.633028072,0.383319759,0.019847148,0.399277246,0.399277246,3.672201441,3.332552334,2.890842505,2.378633231,2.100399324,1.63963836,1.207644823,1.207644823,1.591633238,1.197304943,0.727877696,0.134833631,0.177407915,0.705843336,1.207644823,1.207644823,3.555702998,3.108286018,2.699018115,1.985426676,1.636728454,1.112316198,0.545454545,0.545454545,1.739053094,1.446146758,0.951716906,0.552227846,0.293108818,0.157502236,0.545454545,0.545454545,0,0,0,2,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.568914101,2.564043477,1.287901102,0.638071187,0.333333333,0.166666667,0,0,0.761485683,0.512808695,0.321975275,0.212690396,0.166666667,0.166666667,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,4,2,0,2,0,0,0,0,0,0,0,0,2,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.632638889,0,0,1.067361111,0.580555556,0,0.632638889,0,0,0,0,0,0,0,0,4.29,0,2.348888889,0,4.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.243402778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.145,0,1.174444444,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.290277778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.145,0,1.174444444,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.316319444,2.180555556,0.243402778,1.174444444,4.206555556,0.325555556,0.180555556,1.302222222,0.325555556,0.180555556,1.302222222,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.33333,0,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.27843,0.71307,5.31294,1.03452,0.17242,2.37132,0.39522,2.91421,0.54289,0.09048,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.879964949,2.419381946,2.419381946,2.419381946,2.067168057,16.52932501,33.83936908,43.54887502,43.54887502,43.54887502,37.20902502,0.220218789,0.450839031,0.580197952,0.580197952,0.580197952,0.49573267,3.251629167,2.289960053,1.750543056,1.750543056,1.750543056,2.102756945,0.220218789,0.450839031,0.580197952,0.580197952,0.580197952,0.49573267,6.73287657,13.50946582,14.05310377,14.05310377,14.05310377,9.826537102,23.69925001,18.09522171,18.48287501,18.48287501,18.48287501,14.25630834,6,5,5.333333333,6,2,6,2.12,0.911,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,2.708,4,3,2,1,0,0,0,0,0,21,1.945910149,1.945910149,1.945910149,1.609437912,1.098612289,0,0,0,0,0,3.433987204,1.428571429,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,109.6959078,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,84.09390038,4.671883355,10.83915043,1.806525072,0,0,0,35,3,3.238,18,1.206601879,2.097843914,2.887491234,3.725427145,5.026556965,5.882604122,7.071035322,0,0,0,71.99254604,64.09021887,64.02820865,86.60189387,75.59440584,30.59613447,7.184624434,0,0,0,272.517385,303.7935848,319.4037138,455.1590438,483.2688738,368.5398018,219.7942548,0,0,0,8.771769262,14.88349017,20.14238279,26.21287513,35.01877602,40.40810753,47.50649626,0,0,0,2.071063457,2.576665238,2.853515839,4.040910112,4.613843898,4.10032601,3.143873555,0,0,0,173.3259487,327.5113297,477.2467913,597.659443,832.2766368,1017.220929,1307.559249,0,0,0,2.79737052,3.930527396,4.784949357,6.313831549,7.665415219,8.102329929,7.071035322,0,0,0,0.429617678,0.545624105,0.611135712,0.862812819,0.997497345,0.907812933,0.724074017,0,0,0,342.0953544,128.3735828,9.913520876,121.266,-45.5058822,-7.20843462,220.8293544,173.8794651,17.1219555,0.738290648,0.277048532,0.021394794,0.261709352,-0.098208195,-0.015556832,158.5137668,59.48335722,4.593542461,56.18997802,-21.08566721,-3.340110029,0.15159456,0.235036811,3.390471574,2.387483809,463.3613545,0,1,0,332.6557461,18.23885265,6.928911429,452.927169,21.28208564,7.679674109,470.4422879,21.6896816,7.777418183,2.183080154,2.183080154,436.2946762,417.6496523,31.332388,1.044642738,13.92471829,13.32964638,3.654561202,4.621615124,8.038676515,0.7393652,4.942047935,4.005241387,2.320814575,13.75092568,6.357515497,1.50184847,3.751708282,4.329992448,8.220255228,0.176508506,1.850013214,3.973825637,0.587303073,0.002296819,0.861063281,5.72E-10,7.33E-41,1.81E-93,8.63E-168,7.93E-264,0,0,0,0,0,0,0,0,0,0,0.414759589,4.000763616,0.19112671,4.10498712,0.052500411,0.122650387,0.595776871,0.06570375,2.106309677,0.001243939,0.114828356,0.221839884,0.045528645,1.62E-05,0.006064539,4.03E-12,5.16E-43,1.28E-95,6.08E-170,5.59E-266,0,0,0,0,0,0,0,0,0,0,1.338875659,4.001062938,0.619380909,4.836819472,0.486449886,0.395489876,1.239955816,0.408251205,2.802558549,0.012956716,0.393414943,0.787191249,0.149449344,1.69E-04,0.063197173,4.20E-11,5.38E-42,1.33E-94,6.33E-169,5.82E-265,0,0,0,0,0,0,0,0,0,0,4.664890587,4.004749806,2.1881511,12.72275992,5.66975022,1.414342754,3.558499492,3.882187601,7.65077732,0.157266435,1.717041086,3.673198345,0.551777463,0.002046461,0.767191881,5.10E-10,6.53E-41,1.61E-93,7.69E-168,7.07E-264,0,0,0,0,0,0,0,0,0,0,1.97325237,4.001450927,0.915282246,5.706522814,1.037627392,0.585364163,1.682168605,0.800139212,3.444333934,0.028141813,0.607103592,1.234822485,0.22276722,3.66E-04,0.137272705,9.12E-11,1.17E-41,2.89E-94,1.38E-168,1.26E-264,0,0,0,0,0,0,0,0,0,0,5.968236847,4.007308397,2.814602736,18.05467747,9.246645613,1.829330998,4.467079069,6.200050735,10.55039526,0.25741854,2.372716492,5.167452749,0.721516394,0.003349517,1.255779872,8.34E-10,1.07E-40,2.64E-93,1.26E-167,1.16E-263,0,0,0,0,0,0,0,0,0,0,2.705154664,3.596567472,1.307680775,7.254260291,1.921347786,0.87568941,2.256575408,1.424120128,3.990495126,0.05251789,0.744920654,1.92793498,0.334920059,6.84E-04,0.256184117,1.70E-10,2.18E-41,5.39E-94,2.57E-168,2.36E-264,0,0,0,0,0,0,0,0,0,0,6.313394921,0.789171368,0.349690439,0.847178935,0.105896965,0.614133084,0.594373361,0.444444419,7.452256729,7.466050032,16.6605871,0.770768403,1.652950864,4.890783639,0.297066203,0.075387745,0.929234822,0.056441724,0.369258023,0.084884627,0.020656248,5.263237586,1.843986821,7.216754245,0.893852232,0.474798898,5.455559926,0.492753138,0.184331871,0.889593313,0.080349204,0.459036033,0.232945654,0.123495406,6.132644936,3.784707954,10.41288199,0.83438997,0.815477093,6.278153354,0.77700995,0.342899478,0.848621259,0.10502884,0.607316142,0.576329817,0.42734988,7.398062782,7.297399437,16.36819021,0.772931889,1.610995838,5.707413157,0.579869667,0.232892753,0.875346544,0.088934671,0.502227642,0.322135044,0.197134161,6.520175577,4.773818371,12.0647655,0.813019816,1.021496847,6.42373271,0.827239667,0.370951128,0.842796796,0.108534239,0.635723027,0.652619204,0.500130489,7.621923505,8.003722892,17.59686827,0.764195194,1.78847272,6.281949577,0.776025759,0.342806769,0.848822393,0.104857263,0.60799933,0.574523011,0.42711883,7.400782106,7.294476414,16.36642599,0.77323359,1.609641171 +UMLMON0134,L,3-hexene,CCC=CCC,11601, (trans) reported,UML,[1],C6H12,PubChem,,80.1,0,1.4468,2.09323024,29.5408,15.894344,0,0,14,6,8,0,6,0,0,0,0,0,0,0,0,0,873.713238,962.44143,1061.330262,637.682475,107.017344,5.08032,0,0,0,2789.771366,3458.994341,4439.054761,3448.257756,1228.730375,155.4187222,0,0,0,98.990808,102.184152,172.562136,210.406764,124.125696,33.59232,0,0,0,20.29030324,25.64175448,35.43933477,31.07415091,13.35448353,2.223064524,0,0,0,2240.107353,1985.746518,3580.562204,4864.438004,3074.156902,924.5882601,0,0,0,28.5,34.25,51,51,25,5,0,0,0,62.40808843,68.74581643,44.22209425,21.2560825,5.945408,1.016064,0,0,0,199.2693833,247.0710244,184.9606151,114.9419252,68.26279863,31.08374443,0,0,0,7.070772,7.298868,7.190089,7.0135588,6.895872,6.718464,0,0,0,1.449307374,1.831553891,1.476638949,1.03580503,0.741915752,0.444612905,0,0,0,160.0076681,141.839037,149.1900918,162.1479335,170.7864946,184.917652,0,0,0,2.035714286,2.446428571,2.125,1.7,1.388888889,1,0,0,0,0.042599657,1.89E-05,-0.021477086,-0.010919659,1.77E-04,0.010900741,0,0,0,415.0834594,2.63E-13,-192.7173204,-111.1830695,-14.82440927,111.1830695,0,0,0,771.8654175,2.13E-13,-358.3660867,-206.7496654,-27.56662205,206.7496654,0,0,0,0.081312,1.25E-15,-0.037752,-0.02178,-0.002904,0.02178,0,0,0,3.450597548,-5.55E-17,-1.602063147,-0.9242672,-0.123235627,0.9242672,0,0,0,18.74370065,2.89E-14,-8.702432443,-5.020634102,-0.66941788,5.020634102,0,0,0,2.714285714,0.321428571,-1.153061224,-0.959183673,-0.204081633,0.637755102,0,0,0,0.003042833,1.35E-06,-8.95E-04,-3.64E-04,9.85E-06,0.002180148,0,0,0,29.64881853,1.88E-14,-8.029888352,-3.706102316,-0.823578293,22.2366139,0,0,0,55.13324411,1.52E-14,-14.93192028,-6.891655513,-1.531479003,41.34993308,0,0,0,0.005808,8.92E-17,-0.001573,-7.26E-04,-1.61E-04,0.004356,0,0,0,0.246471253,-3.97E-18,-0.066752631,-0.030808907,-0.006846424,0.18485344,0,0,0,1.33883576,2.06E-15,-0.362601352,-0.16735447,-0.037189882,1.00412682,0,0,0,0.193877551,0.022959184,-0.048044218,-0.031972789,-0.011337868,0.12755102,0,0,0,4.44E-04,-0.294093919,-0.119621634,0.003236337,0.71648637,0,0,0,6.33E-16,-0.270833333,-0.125,-0.027777778,0.75,0,0,0,2.76E-16,-0.270833333,-0.125,-0.027777778,0.75,0,0,0,1.54E-14,-0.270833333,-0.125,-0.027777778,0.75,0,0,0,-1.61E-17,-0.270833333,-0.125,-0.027777778,0.75,0,0,0,1.54E-15,-0.270833333,-0.125,-0.027777778,0.75,0,0,0,0.118421053,-0.247807018,-0.164912281,-0.058479532,0.657894737,0,0,0,1.022176466,1.254065288,1.020847089,0.855690726,0.112823359,0,0,0,1.083333333,1.263888889,1.011111111,0.842592593,0,0,0,0,1.083333333,1.263888889,1.011111111,0.842592593,0,0,0,0,1.083333333,1.263888889,1.011111111,0.842592593,0,0,0,0,1.083333333,1.263888889,1.011111111,0.842592593,0,0,0,0,1.083333333,1.263888889,1.011111111,0.842592593,0,0,0,0,0.940789474,1.247258772,1.077631579,0.864766082,0,0,0,0,16.218912,7.691322909,11.69132291,16.218912,2.703152,7.693125513,-8.88E-16,2.22E-16,3.70E-17,-21.62619203,16.7261622,2.7876937,1.690184455,16.218912,7.691322909,11.69132291,16.218912,2.703152,7.693125513,-8.88E-16,2.22E-16,3.70E-17,-21.62619203,16.7261622,2.7876937,1.690184455,16.218912,7.691322909,11.69132291,16.218912,2.703152,7.693125513,-8.88E-16,2.22E-16,3.70E-17,-21.62619203,16.7261622,2.7876937,1.690184455,16.218912,7.691322909,11.69132291,16.218912,2.703152,7.693125513,-8.88E-16,2.22E-16,3.70E-17,-21.62619203,16.7261622,2.7876937,1.690184455,16.218912,7.691322909,11.69132291,16.218912,2.703152,7.693125513,-8.88E-16,2.22E-16,3.70E-17,-21.62619203,16.7261622,2.7876937,1.690184455,16.218912,7.691322909,11.69132291,16.218912,2.703152,7.693125513,-8.88E-16,2.22E-16,3.70E-17,-21.62619203,16.7261622,2.7876937,1.690184455,20.41925683,8.773303356,13.7601902,20.41925683,3.403209472,8.774152093,-0.111111111,3.33E-16,5.55E-17,-21.38291297,16.85211441,2.808685735,1.69468568,0,11.8,12.2000406,-0.275047159,0.125393045,6.507411101,6.916271118,6,14,12,12,4,2,2,0,0,2,8.745656,3.652770264,2.732532155,2.637748054,1.34343628,0.949935497,0.648139694,0.083923071,0.083923071,1.937045977,1.214178576,1.204666848,0.564841549,0.321114365,0.219176207,0.083923071,0.083923071,3.670755159,2.760499175,2.67597618,1.443083845,1.063332417,0.793869375,0.270913902,0.270913902,1.89277851,1.130709784,1.129630039,0.419295879,0.161222395,0.048396132,0.270913902,0.270913902,3.751607716,2.891173213,2.846919161,1.853556316,1.529944724,1.35179833,0.943918427,0.943918427,1.768132002,0.91865211,0.881335689,0.070778177,0.384695112,0.551157612,0.943918427,0.943918427,3.684093435,2.781531637,2.704336978,1.515242343,1.145577488,0.896535888,0.399277246,0.399277246,1.865103366,1.082564334,1.07710956,0.321525244,0.053265205,0.067913415,0.399277246,0.399277246,3.792163666,2.958935448,2.930904426,2.034410177,1.733502026,1.581442371,1.207644823,1.207644823,1.730827448,0.856931064,0.803313304,0.245578961,0.582287225,0.777716454,1.207644823,1.207644823,3.718129218,2.848492662,2.684878755,1.563843045,1.267843568,1.030236881,0.545454545,0.545454545,1.847451661,1.040795598,1.011512662,0.231058406,0.082038308,0.208083163,0.545454545,0.545454545,0,0,0,4,0,0,2,0,0,0,0,0,0.125,0,0,0,0,0.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,3.723614639,2.316496581,1.433654969,0.883276638,0.54203502,0.333333333,0,0,0.62060244,0.386082763,0.238942495,0.147212773,0.09033917,0.055555556,0,0,8.167311215,13.55134741,12.90196078,13.04,9.194217964,105.5984096,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,1.74498,26.974,21,27,42,7,21,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,36,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,2,2,0,4,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.534722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.532638889,0,0,0.667361111,0.667361111,0,1.532638889,0,0,0,0,0,0,0,0,0,0,2.465277778,0,8.534722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0,0.333680556,0.333680556,0,0.359722222,0,0,0,0,0,0,0,0,0,0,1.232638889,0,2.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0.333680556,0.333680556,0,0.406597222,0,0,0,0,0,0,0,0,0,0,1.232638889,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.406597222,2.180555556,0.333680556,1.232638889,3.577986111,0.267361111,0.180555556,1.069444444,0.267361111,0.180555556,1.069444444,3,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0,0,0,6,1,3,0.5,3,0.5,0,0,0,0,2.8424,0.47373,5,2.1576,0.3596,1.73246,0.28874,3,1.26754,0.21126,-0.086,-0.01433,0,0,0.428571429,6,0,0,0,0,0,0,0.333333333,0.985228136,2.235926351,2.521640636,2.521640636,2.521640636,2.521640636,13.7931939,31.30296891,35.30296891,35.30296891,35.30296891,35.30296891,0.258769712,0.587265016,0.662307741,0.662307741,0.662307741,0.662307741,2.822126786,1.571428571,1.285714286,1.285714286,1.285714286,1.285714286,0.246307034,0.558981588,0.630410159,0.630410159,0.630410159,0.630410159,6.75154531,15.47868105,15.76663106,15.76663106,15.76663106,15.76663106,22.55053414,18.56892228,18.10757661,18.10757661,18.10757661,18.10757661,4.166666667,2.222222222,1.333333333,0,4,0,2.12,0.7594,0,0,0,0,9.125465128,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.115,0.112,0.477,0.52,3.004,6,6,6,6,0,0,0,0,0,36,2.197224577,2.397895273,2.63905733,2.833213344,3.044522438,0,0,0,0,0,4.304065093,2.027777778,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,13,18,3,9.000420062,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,0,94.70299035,3.584962501,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,65.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921172722,80.06260026,5.718757161,11.8125,1.96875,0,0,0,27,3,2.454,24,1.202074622,2.08432327,2.82538533,3.807954152,4.566733754,0,0,0,0,0,89.81747552,99.59552426,59.62612621,21.56880863,4.640093765,0,0,0,0,0,313.7733332,404.1435963,333.0554811,251.8634589,141.9511849,0,0,0,0,0,8.796758583,15.01830624,19.87324445,26.22061776,30.68143632,0,0,0,0,0,2.29268377,3.18363317,3.00624455,2.760584134,2.03042876,0,0,0,0,0,169.0707394,308.8239098,453.4477042,653.4175147,844.4696831,0,0,0,0,0,3.027692968,4.532658881,4.910086631,5.194958705,4.566733754,0,0,0,0,0,0.472162689,0.664956169,0.643425958,0.609524369,0.467633536,0,0,0,0,0,198.6559935,71.80422764,9.164764411,47.70760426,-17.24391808,-3.290051553,150.9483892,89.04814572,12.45481596,0.806352867,0.29145632,0.037200157,0.193647133,-0.069993774,-0.013354455,48.94160526,17.68994785,2.257864333,11.75341703,-4.248273697,-0.810548937,0.169978361,0.231643218,4.478480987,2.170890318,246.3635977,0,1,0,489.9536316,22.13489624,7.883486477,568.2991694,23.83902618,8.283089241,714.3009316,26.72640888,8.93909883,1.21056403,1.019071054,166.5373105,88.56483118,84.63123913,1.880400022,1.967799506,1.046479197,2.907071034,3.413860202,4.857016775,0.422734526,2.55819661,0.463739155,10.79392988,4.513363313,6.672799583,2.461728473,4.676928847,3.924964194,0.12945522,1.11E-18,1.83E-57,5.85E-118,3.59E-200,4.26E-304,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.215020463,0.463654449,0.769188712,0.467834178,0.56002596,0.206595595,0.033889961,0.027643844,9.12E-04,7.81E-21,1.29E-59,4.12E-120,2.53E-202,3.00E-306,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.69331267,0.463660335,2.570496247,0.738165228,1.807766683,0.666915909,0.34570077,0.288070165,0.009501281,8.14E-20,1.35E-58,4.29E-119,2.64E-201,3.13E-305,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.414749045,0.463729935,10.09356514,4.069199924,6.298577594,2.323670718,4.167713511,3.497072433,0.11534227,9.88E-19,1.63E-57,5.21E-118,3.20E-200,3.80E-304,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.021645275,0.463667761,3.879769865,1.088662938,2.66430356,0.982911488,0.748570613,0.625726893,0.020638051,1.77E-19,2.92E-58,9.32E-119,5.73E-201,6.80E-305,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.089318375,0.463777874,13.48545809,6.381010273,8.058377857,2.972894353,6.817762643,5.724191402,0.188798272,1.62E-18,2.67E-57,8.52E-118,5.24E-200,6.22E-304,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.356398773,0.445819096,5.286818521,1.640669507,3.970342712,1.441599476,1.394100202,1.167757942,0.038515603,3.30E-19,5.46E-58,1.74E-118,1.07E-200,1.27E-304,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.818031904,1.701287095,0.235960958,0.484126863,0.453038685,0.54307121,0.485390492,0.285713345,3.755279957,3.923416098,8.408521932,0.405748322,1.314175047,1.085920388,1.018044265,0.041556948,0.506133514,0.474497327,0.193511999,0.175522221,0.00886217,2.145521601,1.192949373,3.384412804,0.470946262,0.37789639,1.34170336,1.257486193,0.109577879,0.495318773,0.464228187,0.295548995,0.266561371,0.061616559,2.708767432,1.971987128,4.865631447,0.439320439,0.623726925,1.79593141,1.680730921,0.230101912,0.484501115,0.453422665,0.529931095,0.473815214,0.271700685,3.706764243,3.818464102,8.219785778,0.40688567,1.275446994,1.469300623,1.376563493,0.143459517,0.491516076,0.460493296,0.354515728,0.318881683,0.105611191,2.989323634,2.430851892,5.71033468,0.428014059,0.779008603,1.888844707,1.767135874,0.254731914,0.482992475,0.451870567,0.586258994,0.523412161,0.332978949,3.910712495,4.269140172,9.030108374,0.402294564,1.442650103,1.795719687,1.682519969,0.230022372,0.484248328,0.453721974,0.52976962,0.475009349,0.271512855,3.708262028,3.821407167,8.22464366,0.406955454,1.276291824 +UMLMON0135,L,"1,3-cyclohexadiene",C1CC=CC=C1,11605,,UML,[1],C6H8,PubChem,,53,0,0.1504,0.02262016,29.2325,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1007.912141,841.551652,646.827051,450.070322,253.313593,67.647888,6.096384,3399.790734,4147.41404,5005.196641,4672.642312,3728.011456,2721.213111,1714.414766,791.2692929,186.5024666,146.842108,144.889944,255.155828,320.320912,270.87294,207.98804,145.10314,82.617408,40.310784,25.74688067,32.32302034,43.11292237,43.20797011,35.07566706,26.0541382,17.03260934,8.680011884,2.667677429,3476.407621,2904.481805,5635.131594,7637.816723,6528.696872,5049.741717,3570.786562,2060.036303,1109.505912,40,44.75,62,69.75,59.5,47.5,35,20,6,48.76541633,51.7541979,27.99755947,18.29460113,16.585309,15.00234407,12.06255205,5.637324,1.016064,161.8947969,207.370702,139.03324,101.5791807,95.59003733,90.70710369,81.63879838,65.93910774,31.08374443,6.992481333,7.2444972,7.087661889,6.963498087,6.94546,6.932934667,6.909673333,6.884784,6.718464,1.226041937,1.616151017,1.197581177,0.939303698,0.899376078,0.868471273,0.811076635,0.723334324,0.444612905,165.54322,145.2240902,156.5314332,166.039494,167.4024839,168.3247239,170.0374553,171.6696919,184.917652,1.904761905,2.2375,1.722222222,1.516304348,1.525641026,1.583333333,1.666666667,1.666666667,1,0.049280704,-0.007614202,-0.022845849,0.001606243,0.001311171,0.001858518,-0.001760597,-0.004526531,0.007330894,564.9747087,-53.80711511,-242.132018,-26.90355756,-2.74E-13,-2.45E-13,-1.88E-13,-40.35533633,80.71067267,1050.594596,-100.0566282,-450.2548269,-50.0283141,1.42E-13,1.42E-13,8.53E-14,-75.04247115,150.0849423,0.110674667,-0.010540444,-0.047432,-0.005270222,-4.45E-16,-4.52E-16,-4.59E-16,-0.007905333,0.015810667,4.696646663,-0.447299682,-2.01284857,-0.223649841,-2.36E-15,-2.58E-15,-2.14E-15,-0.335474762,0.670949523,25.51225921,-2.429738973,-10.93382538,-1.214869486,-2.44E-15,-6.00E-15,-6.00E-15,-1.822304229,3.644608459,5.285714286,-0.617346939,-1.275510204,-0.137755102,-0.102040816,0.020408163,0.285714286,-1.306122449,0.489795918,0.0023467,-3.81E-04,-6.35E-04,3.49E-05,3.36E-05,6.20E-05,-8.38E-05,-3.77E-04,0.001221816,26.90355756,-2.690355756,-6.725889389,-0.584859947,-7.01E-15,-8.17E-15,-8.97E-15,-3.362944694,13.45177878,50.0283141,-5.00283141,-12.50707852,-1.087572046,3.64E-15,4.74E-15,4.06E-15,-6.253539262,25.01415705,0.005270222,-5.27E-04,-0.001317556,-1.15E-04,-1.14E-17,-1.51E-17,-2.18E-17,-6.59E-04,0.002635111,0.223649841,-0.022364984,-0.05591246,-0.004861953,-6.05E-17,-8.60E-17,-1.02E-16,-0.02795623,0.111824921,1.214869486,-0.121486949,-0.303717372,-0.026410206,-6.26E-17,-2.00E-16,-2.85E-16,-0.151858686,0.607434743,0.25170068,-0.030867347,-0.035430839,-0.002994676,-0.002616431,6.80E-04,0.013605442,-0.108843537,0.081632653,-0.162232106,-0.270425217,0.01487976,0.014326402,0.02639903,-0.035725882,-0.160741002,0.520652665,-0.1,-0.25,-0.02173913,-2.61E-16,-3.04E-16,-3.33E-16,-0.125,0.5,-0.1,-0.25,-0.02173913,7.28E-17,9.47E-17,8.12E-17,-0.125,0.5,-0.1,-0.25,-0.02173913,-2.16E-15,-2.86E-15,-4.15E-15,-0.125,0.5,-0.1,-0.25,-0.02173913,-2.70E-16,-3.85E-16,-4.55E-16,-0.125,0.5,-0.1,-0.25,-0.02173913,-5.16E-17,-1.64E-16,-2.35E-16,-0.125,0.5,-0.122635135,-0.140765766,-0.011897767,-0.01039501,0.002702703,0.054054054,-0.432432432,0.324324324,1.459375918,1.231003764,0.783695987,0.823179415,0.89465579,1.13412299,1.381323553,0.185032401,1.5,1.369047619,0.931677019,0.879120879,0.857142857,0.816326531,0.892857143,0,1.5,1.369047619,0.931677019,0.879120879,0.857142857,0.816326531,0.892857143,0,1.5,1.369047619,0.931677019,0.879120879,0.857142857,0.816326531,0.892857143,0,1.5,1.369047619,0.931677019,0.879120879,0.857142857,0.816326531,0.892857143,0,1.5,1.369047619,0.931677019,0.879120879,0.857142857,0.816326531,0.892857143,0,1.466216216,0.880255255,0.750587544,0.836798337,0.993243243,1.216216216,2.207207207,0,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,42.78534791,21.17838824,35.24928014,42.47922546,6.06846078,21.17838824,-0.428571429,0.109241607,0.015605944,-1.549935292,26.71333668,3.816190954,2.299614059,0,11.79,12.21004853,-0.306948035,0.113272328,5.083969899,7.097648006,6,20,19,19,5,1,1,0,0,1,15.304898,3.482395983,3.187386785,2.701768563,2.117093876,1.572599551,1.19719882,0.911697442,0.083923071,1.891833234,1.671922331,1.364276662,1.02438691,0.730986775,0.549471752,0.349801862,0.083923071,3.50971322,3.220130596,2.748725212,2.185432383,1.666737283,1.315041477,1.039783756,0.270913902,1.831505689,1.60169185,1.273407245,0.907445372,0.59141731,0.395169899,0.188529248,0.270913902,3.630452655,3.36441836,2.952820655,2.476038034,2.053752126,1.782079744,1.541512282,0.943918427,1.654658222,1.393214783,0.992818311,0.531564342,0.125261353,0.134309087,0.369563056,0.943918427,3.529874442,3.244281326,2.783242904,2.235363736,1.734784458,1.399123447,1.130790711,0.399277246,1.793132834,1.556772728,1.214327728,0.830220437,0.497957939,0.290887368,0.07922127,0.399277246,3.689551591,3.434627323,3.049835198,2.609863663,2.224852491,1.980953912,1.75263536,1.207644823,1.599774711,1.327849611,0.901637584,0.404271541,0.039803444,0.328470623,0.576453602,1.207644823,3.598285894,3.296234897,2.843662279,2.280417167,1.778905648,1.453816466,1.259005162,0.538461538,1.845977493,1.497050444,1.092194267,0.732452928,0.422397407,0.212131938,0.061107734,0.538461538,0,0,1,1,0,1,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,5.112884175,3.023603362,1.78445705,1.011801681,0.538675135,0.24639964,0.102062073,0,0.730412025,0.503933894,0.35689141,0.25295042,0.179558378,0.12319982,0.102062073,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,5,1,0,2,0,0,0,0,0,0,0,0,1,1,4,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.614297052,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384550737,0.327152778,0,0,1.188296485,0.290277778,0,0.711703515,0,0,0,0,0,0,0,0,2.211397392,3.632491497,5.174305556,0,1.981805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.981805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384550737,0.327152778,0,0,0.212046485,0.290277778,0,0.327152778,0,0,0,0,0,0,0,0,2.211397392,3.632491497,1.188333333,0,1.981805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.632491497,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384550737,0.327152778,0,0,0.290277778,0.290277778,0,0.384550737,0,0,0,0,0,0,0,0,2.211397392,3.632491497,1.353194444,0,1.981805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13,1.857142857,0.384550737,3.632491497,0.212046485,1.188333333,5.159376803,0.311666667,0.632491497,1.687777778,0.311666667,0.632491497,1.687777778,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.28571,0,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.38519,0.76931,6.60412,1.21893,0.17413,2.84933,0.40705,3.41421,0.56488,0.0807,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.127387765,3.236857303,3.463280518,3.232101805,3.249367047,19.28421252,44.67514307,67.97400337,72.72889087,67.8741379,68.23670798,0.209068641,0.484342902,0.736936107,0.788485937,0.735853422,0.739784204,3.474021589,2.264929658,1.155460119,0.929036905,1.160215618,1.142950376,0.209068641,0.484342902,0.736936107,0.788485937,0.735853422,0.739784204,6.73287657,15.74885826,19.35589302,17.09520442,16.86221672,17.06939963,27.64912502,18.81705526,14.58757905,16.88179258,17.49723397,12.78821698,7,6,6,7,2,7,2.23,1.0519,0.166666667,3.838519496,0,0,5.676240019,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,3.16,5,4,3,2,1,0,0,0,0,28,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.666666667,5,0.833333333,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,0,126.9918924,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,98.10955045,4.671883355,12.83378878,1.833398397,0,0,0,56,4,3.957,22,1.2236,2.130702333,2.871729136,3.605464611,4.939731415,5.960982763,7.30073252,8.324651359,0,0,73.7959167,66.79834045,63.74485217,77.2616114,87.6814435,84.55329077,43.77081616,8.458378558,0,0,278.2003652,316.7502792,320.5922782,404.7643038,491.2507662,533.8705553,501.1212766,258.7613353,0,0,8.897867644,15.14862058,20.05013693,25.21914488,34.36249704,41.3402147,50.35805276,55.92887047,0,0,2.110244062,2.67720995,2.864193187,3.640788101,4.567018768,5.156846639,5.438541602,3.701247422,0,0,175.6104775,330.1411093,473.205228,590.1880374,822.898991,1002.016362,1245.820204,1539.374983,0,0,2.8102125,3.774214146,4.499008405,5.931093977,8.184286306,10.51946299,12.52642305,8.324651359,0,0,0.43759575,0.566400918,0.613278387,0.779929694,0.984305884,1.118169343,1.198603494,0.852444299,0,0,370.2788439,167.5843462,11.48802284,182.0876919,-82.41099191,-12.24010582,188.191152,249.9953381,23.72812866,0.670349885,0.303393373,0.020797826,0.329650115,-0.149196207,-0.022159391,204.5296423,92.56798479,6.345599379,100.5791476,-45.52107412,-6.76102485,0.125124026,0.22676275,2.488431769,5.676580613,552.3665359,0,1,0,393.1393776,19.82774263,7.32569526,529.3948196,23.00858143,8.089590956,577.678469,24.03494267,8.328409298,2.694131832,2.694131832,653.8070862,632.9279866,37.56688042,1.032988112,17.40381631,16.84803155,3.998211508,4.57798827,8.978772981,0.961292265,4.149594424,4.863396753,3.127175472,17.91865183,8.411702179,1.027370921,4.826716517,8.261226127,8.170984201,0.51026616,2.211261603,2.603453425,3.224991925,1.074168141,1.250211673,0.173173171,1.911882863,3.18E-12,1.02E-45,6.30E-101,7.52E-178,1.73E-276,0,0,0,0,0,0,0,0,0.348257413,4.863167147,0.206381407,4.933814538,0.062299116,0.084804326,0.536141596,0.237201379,2.806117479,0.022128907,0.06551718,0.146527405,0.109532539,0.663279687,0.104499291,0.014045995,0.013465547,2.24E-14,7.18E-48,4.44E-103,5.30E-180,1.22E-278,0,0,0,0,0,0,0,0,1.124191339,4.863182969,0.703164371,5.921299816,0.625219745,0.267518904,1.402967632,1.066256259,3.598483185,0.085070804,0.263447377,0.515878139,0.45975007,0.747021813,0.337614722,0.045663232,0.140321385,2.33E-13,7.48E-47,4.63E-102,5.52E-179,1.27E-277,0,0,0,0,0,0,0,0,3.916879296,4.863371714,2.913197394,16.5354162,7.496778618,0.966242018,4.560876677,7.483867487,7.735459316,0.46740045,1.994974689,2.406288257,2.933189533,1.04896822,1.179807049,0.16312586,1.70345321,2.83E-12,9.08E-46,5.62E-101,6.70E-178,1.54E-276,0,0,0,0,0,0,0,0,1.656845653,4.863203048,1.073708191,7.092955688,1.350543649,0.395821923,2.000680438,1.875531736,4.232300633,0.139174638,0.470599625,0.808666951,0.784997871,0.80454645,0.49786352,0.067624018,0.304796799,5.07E-13,1.62E-46,1.00E-101,1.20E-178,2.76E-277,0,0,0,0,0,0,0,0,5.011233796,4.863501933,3.959371922,23.70813621,12.25771314,1.257593306,5.814605532,11.46431849,9.905131275,0.683719013,3.108501765,3.386552859,4.42016928,1.16752391,1.511189118,0.210720891,2.788301473,4.64E-12,1.49E-45,9.19E-101,1.10E-177,2.52E-276,0,0,0,0,0,0,0,0,2.291910098,3.672436276,1.554861626,8.080118132,2.45268518,0.440310333,3.139009587,2.732834197,5.142708868,0.182898381,0.725879226,1.168495226,1.167868509,1.348609304,1.084276411,0.09858244,0.554332901,9.22E-13,2.96E-46,1.83E-101,2.18E-178,5.02E-277,0,0,0,0,0,0,0,0,7.136304388,0.797813871,0.39424315,0.85686776,0.095794819,0.51751526,0.573732509,0.476178631,8.328361409,8.821414402,19.39437657,0.785301641,1.5674264,6.418894019,0.29832868,0.084992606,0.943647581,0.043857577,0.418688369,0.080225794,0.022131145,6.802215305,2.485854444,9.450825506,0.915471372,0.521045308,6.703825881,0.496708235,0.207816884,0.904901223,0.067047071,0.456686652,0.222392391,0.132313223,7.408351001,4.826238086,12.92658721,0.857351835,0.811392266,7.118543304,0.78544805,0.386586978,0.858630486,0.094739838,0.514942273,0.556085646,0.457863508,8.290578331,8.646826084,19.09890729,0.787945729,1.528891427,6.830831848,0.58513406,0.26256472,0.889601433,0.07620391,0.474155844,0.30862054,0.21120993,7.678530628,5.944123388,14.6721127,0.834402149,0.993986314,7.191909608,0.836527948,0.418212581,0.851451107,0.099036652,0.525612062,0.630762339,0.535840797,8.446650137,9.373826978,20.33654161,0.77717666,1.692215198,7.178386256,0.784273606,0.386358287,0.859788077,0.093936028,0.523636293,0.554424678,0.457321957,8.349018149,8.706258496,19.23040382,0.789682115,1.535382929 +UMLMON0136,L,1-Heptene,CCCCCC=C,11610,,"Sandia, UML",[1],C7H14,PubChem,,50.7,0,0.6382,0.40729924,32.2248,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,996.821117,827.412436,643.778859,450.070322,264.404617,81.787104,9.144576,3399.790734,4147.41404,4921.543769,4495.738207,3634.760223,2721.213111,1798.067638,968.1733981,279.7536999,146.842108,144.889944,254.75666,299.766352,250.717548,207.98804,145.502308,103.171968,60.466176,25.74688067,32.32302034,42.44399096,41.20519999,33.74182834,26.0541382,17.70154074,10.682782,4.001516144,3476.407621,2904.481805,5666.926698,7114.858871,5973.943916,5049.741717,3538.991458,2582.994154,1664.258868,36.75,43.5,62.25,65.5,55,45,31.5,21,9,48.76541633,51.7541979,27.68947547,19.24214967,17.88274608,15.00234407,12.59069605,5.4524736,1.016064,161.8947969,207.370702,136.7095491,104.5520513,100.9655617,90.70710369,85.62226847,64.54489321,31.08374443,6.992481333,7.2444972,7.076573889,6.971310512,6.964376333,6.932934667,6.928681333,6.8781312,6.718464,1.226041937,1.616151017,1.178999749,0.958260465,0.93727301,0.868471273,0.842930512,0.712185467,0.444612905,165.54322,145.2240902,157.4146305,165.4618342,165.9428866,168.3247239,168.5234028,172.1996103,184.917652,1.75,2.175,1.729166667,1.523255814,1.527777778,1.5,1.5,1.4,1,0.044255737,-0.002724614,-0.022405807,-0.002754175,0.003623632,-4.83E-04,-0.002641926,-3.61E-04,0.005618788,564.9747087,-53.80711511,-201.7766817,-26.90355756,-40.35533633,-2.17E-13,-40.35533633,-40.35533633,121.066009,1050.594596,-100.0566282,-375.2123557,-50.0283141,-75.04247115,1.42E-13,-75.04247115,-75.04247115,225.1274134,0.110674667,-0.010540444,-0.039526667,-0.005270222,-0.007905333,-4.52E-16,-0.007905333,-0.007905333,0.023716,4.696646663,-0.447299682,-1.677373808,-0.223649841,-0.335474762,-2.58E-15,-0.335474762,-0.335474762,1.006424285,25.51225921,-2.429738973,-9.111521147,-1.214869486,-1.822304229,-4.22E-15,-1.822304229,-1.822304229,5.466912688,3.30952381,-0.366213152,-0.93537415,-0.419501134,0.017006803,0.022108844,-0.047619048,-0.542517007,0.617346939,0.002107416,-1.36E-04,-6.22E-04,-6.41E-05,1.01E-04,-1.61E-05,-1.26E-04,-2.41E-05,6.24E-04,26.90355756,-2.690355756,-5.604907824,-0.625664129,-1.120981565,-7.22E-15,-1.921682683,-2.690355756,13.45177878,50.0283141,-5.00283141,-10.42256544,-1.163449165,-2.084513087,4.74E-15,-3.573451007,-5.00283141,25.01415705,0.005270222,-5.27E-04,-0.001097963,-1.23E-04,-2.20E-04,-1.51E-17,-3.76E-04,-5.27E-04,0.002635111,0.223649841,-0.022364984,-0.046593717,-0.005201159,-0.009318743,-8.60E-17,-0.015974989,-0.022364984,0.111824921,1.214869486,-0.121486949,-0.25309781,-0.028252779,-0.050619562,-1.41E-16,-0.086776392,-0.121486949,0.607434743,0.157596372,-0.018310658,-0.025982615,-0.00975584,4.72E-04,7.37E-04,-0.002267574,-0.0361678,0.068594104,-0.064643464,-0.295330163,-0.030392941,0.047762965,-0.007632156,-0.059696803,-0.011427678,0.296244171,-0.1,-0.208333333,-0.023255814,-0.041666667,-2.69E-16,-0.071428571,-0.1,0.5,-0.1,-0.208333333,-0.023255814,-0.041666667,9.47E-17,-0.071428571,-0.1,0.5,-0.1,-0.208333333,-0.023255814,-0.041666667,-2.86E-15,-0.071428571,-0.1,0.5,-0.1,-0.208333333,-0.023255814,-0.041666667,-3.85E-16,-0.071428571,-0.1,0.5,-0.1,-0.208333333,-0.023255814,-0.041666667,-1.16E-16,-0.071428571,-0.1,0.5,-0.11618705,-0.164868106,-0.061903965,0.002997602,0.004676259,-0.014388489,-0.229496403,0.435251799,1.373421493,1.382359431,0.99691271,0.864383522,0.945994284,0.976337212,0.657527898,0.003972094,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.510791367,1.154076739,0.931069098,0.881294964,0.931654676,0.971223022,1.208633094,0,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,35.10544132,17.48129209,28.8982439,35.0034005,5.000485786,17.48129216,-0.142857143,0.183534832,0.026219262,-1.186745565,21.80287736,3.114696766,2.157429365,0,11.89,12.11009426,-0.181125901,0.043377598,5.108787686,7.182011159,6,20,19,19,5,1,1,0,0,1,15.304898,3.502283833,3.174689649,2.647819903,2.141038364,1.662474916,1.228701565,0.765585611,0.083923071,1.88576869,1.676171393,1.375066214,1.023999473,0.748879162,0.560297645,0.26494977,0.083923071,3.526963431,3.208895978,2.700440482,2.208289868,1.74963351,1.34416454,0.900259949,0.270913902,1.827582872,1.604059501,1.277307308,0.910722223,0.616382834,0.407774127,0.098421578,0.270913902,3.637664543,3.359069382,2.92737616,2.492296558,2.109936044,1.802986042,1.426157545,0.943918427,1.660172369,1.388928624,0.971477704,0.54629082,0.176901559,0.114680916,0.481032874,0.943918427,3.545264645,3.234096227,2.739031931,2.257297879,1.812739275,1.426624494,0.995885952,0.399277246,1.790839239,1.557850432,1.213420877,0.835927735,0.527882588,0.304750691,0.014671876,0.399277246,3.692798026,3.431805311,3.034124997,2.622330165,2.270371888,1.998904681,1.646285725,1.207644823,1.609287721,1.321097279,0.87075811,0.422403721,0.022514211,0.305789472,0.697164539,1.207644823,3.57945078,3.267745145,2.795034571,2.350257742,1.87579871,1.495487606,1.142447682,0.56,1.792098626,1.470765026,1.133083257,0.730219577,0.424809806,0.204442835,0.169196891,0.56,0,0,0,2,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,5.276020882,3.026038674,1.711264119,0.960046463,0.488641942,0.23570226,0.11785113,0,0.753717269,0.504339779,0.342252824,0.240011616,0.162880647,0.11785113,0.11785113,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,4,2,0,2,0,0,0,0,0,0,0,0,2,0,3,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.318611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.633472222,0,0,0.97625,0.580555556,0,0.633472222,0,0,0,0,0,0,0,0,4.276944444,0,3.904444444,0,4.318611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.106805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.216944444,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.065138889,0,1.256944444,0,2.106805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.211805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327152778,0,0,0.290277778,0.290277778,0,0.327152778,0,0,0,0,0,0,0,0,2.211805556,0,1.337638889,0,2.211805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.5,1.785714286,0.327152778,2.211805556,0.216944444,1.256944444,4.938793333,0.243055556,0.211805556,1.191111111,0.243055556,0.211805556,1.191111111,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.28571,0,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.52313,0.78902,6.60412,1.08099,0.15443,2.81066,0.40152,3.41421,0.60355,0.08622,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.058053137,3.368042423,3.653756708,3.653756708,3.290069569,19.28421252,43.21911587,70.72889087,76.72889087,76.72889087,69.09146095,0.209068641,0.468557469,0.766803056,0.831851698,0.831851698,0.749050957,3.474021589,2.334264286,1.024275,0.738560714,0.738560714,1.102247854,0.209068641,0.468557469,0.766803056,0.831851698,0.831851698,0.749050957,6.73287657,16.07411706,19.48810467,19.77605468,19.77605468,17.11042065,27.64912502,17.70101564,14.3059685,13.54772211,13.54772211,12.70318223,7,6,6,7,2,7,2.23,1.0519,0.166666667,3.838519496,0,0,5.676240019,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.207,5,4,3,2,1,0,0,0,0,28,2.079441542,2.079441542,1.945910149,1.791759469,1.609437912,1.098612289,0,0,0,0,3.663561646,1.357142857,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,0,126.9918924,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,98.10955045,4.671883355,12.83378878,1.833398397,0,0,0,56,4,3.912,22,1.211233302,2.106138433,2.894282671,3.675440915,4.994926759,6.023492489,7.337504255,8.219024558,0,0,73.49122161,66.47484007,67.93010185,84.09806598,88.4843336,88.76026748,42.29146714,8.351054969,0,0,276.4193692,311.8087738,334.3292935,434.2830289,495.657284,565.7081447,490.8246446,255.4780588,0,0,8.809350154,14.96071158,20.23583463,25.78359126,34.74167285,41.90076029,50.55051561,55.21922061,0,0,2.094508635,2.630656854,2.957281736,3.863228236,4.609682346,5.422125711,5.36341358,3.654284384,0,0,173.7477302,327.4416641,474.8500918,595.8687462,832.472101,1002.392642,1256.967967,1519.842723,0,0,2.730252055,3.772410538,4.560042302,6.042560288,7.78711894,9.463146634,10.47843094,8.219024558,0,0,0.434249571,0.556494159,0.632083305,0.825690081,0.993591217,1.17337795,1.183551947,0.841628115,0,0,345.3915396,149.0668577,10.07970751,102.4597065,-44.22038391,-6.675560137,242.9318332,193.2872416,16.75526765,0.771219334,0.332849041,0.02250682,0.228780666,-0.098738999,-0.014905753,154.6840314,66.75977797,4.514209569,45.88670721,-19.80415404,-2.989657926,0.131808696,0.210923682,1.880741525,1.870580833,447.8512461,0,1,0,394.95989,19.87359781,7.336985561,535.2211769,23.13484767,8.119159931,576.4161006,24.0086672,8.322338338,2.654571241,2.654571241,677.589581,654.5872867,38.81477358,1.035140148,17.45700203,16.86438504,4.06679998,4.666929306,9.0361841,0.936216194,5.742638188,4.913624927,2.666284879,20.26691277,8.317850508,2.509525162,3.603766994,6.827633933,9.955503498,1.183072501,1.903871711,3.805780863,3.768586889,2.862386838,1.111571516,0.733263664,1.754631451,9.08E-10,9.06E-41,1.74E-93,6.48E-168,4.64E-264,0,0,0,0,0,0,0,0,0.481947778,4.908064149,0.219855732,5.114496478,0.066356006,0.082504842,0.781120164,0.2066117,3.242405181,0.034027179,0.058840239,0.372986311,0.151919427,1.070269851,0.048678958,0.043419229,0.012358013,6.39E-12,6.38E-43,1.23E-95,4.56E-170,3.27E-266,0,0,0,0,0,0,0,0,1.555766845,4.908435861,0.712295591,6.206075018,0.630452748,0.349571416,1.357036955,0.908388814,4.123226585,0.152845489,0.254346867,1.070834439,0.598710617,1.398151866,0.186534787,0.152101365,0.128780021,6.66E-11,6.65E-42,1.28E-94,4.75E-169,3.40E-265,0,0,0,0,0,0,0,0,5.42058249,4.913014448,2.51406517,18.63128042,7.41640702,2.280165583,3.430879691,6.192452165,9.371375898,1.071788626,1.726851741,3.594616424,3.444072542,2.739257309,1.018517902,0.679665416,1.563345034,8.09E-10,8.07E-41,1.55E-93,5.77E-168,4.13E-264,0,0,0,0,0,0,0,0,2.29290997,4.908917687,1.052397327,7.549652499,1.350300777,0.600703124,1.752458702,1.58305054,4.873215179,0.268772079,0.442329455,1.550734028,0.991955631,1.634493982,0.30465587,0.236248254,0.279727415,1.45E-10,1.44E-41,2.78E-94,1.03E-168,7.39E-265,0,0,0,0,0,0,0,0,6.935065476,4.916191879,3.232668948,27.12681789,12.10545084,3.450459084,4.243989512,9.44040073,12.31487132,1.641591064,2.632041912,4.588775892,5.087184934,3.333514525,1.487880997,0.94461962,2.558965069,1.32E-09,1.32E-40,2.54E-93,9.44E-168,6.76E-264,0,0,0,0,0,0,0,0,3.233698512,4.516930048,1.519901501,9.677537802,2.638134779,0.918232913,2.325013987,2.464611516,6.253776057,0.423423286,0.778330736,2.350821792,1.463622155,2.290990393,0.515219724,0.385996032,0.550252423,2.85E-10,2.84E-41,5.47E-94,2.03E-168,1.45E-264,0,0,0,0,0,0,0,0,7.927128801,0.816752681,0.373564448,0.869446209,0.089581302,0.561651972,0.557085231,0.47617324,9.117445931,9.740906963,21.2769973,0.804169314,1.594910444,6.610490325,0.316495095,0.080534605,0.943342338,0.045165065,0.390637862,0.083573248,0.022130895,7.007520025,2.650049795,9.826063334,0.915013507,0.496342005,7.133381607,0.515215954,0.196916547,0.909230614,0.065670133,0.454844985,0.221583138,0.132311725,7.845514109,5.181367434,13.75059554,0.86384592,0.808739848,7.894529268,0.804370987,0.366309855,0.870860043,0.088731643,0.557043563,0.540317258,0.457858325,9.06521011,9.536623189,20.92794861,0.806290065,1.555219146,7.366471301,0.603778493,0.248792769,0.896268786,0.073460928,0.485041528,0.304357733,0.211207539,8.219042563,6.430657458,15.75625984,0.844403179,1.0006068,8.029190179,0.855515517,0.396276643,0.865122881,0.092179414,0.576202666,0.611235858,0.535834731,9.280982339,10.38989813,22.39294308,0.797684321,1.723273255,7.916127961,0.804255946,0.36645509,0.871164105,0.08850778,0.560099159,0.540150206,0.458221462,9.086838997,9.562222054,20.98213146,0.806746157,1.558470827 +UMLMON0137,L,2-heptene,CCCCC=CC,11611, (trans) reported,UML,[1],C7H14,PubChem,,68.8,0,0.25,0.0625,32.391,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,996.821117,816.321412,629.639643,458.113154,278.543833,84.835296,9.144576,3399.790734,4147.41404,4921.543769,4412.085335,3457.856117,2711.614749,1974.971743,1061.424631,279.7536999,146.842108,144.889944,254.75666,299.367184,230.162988,188.231816,166.056868,123.32736,60.466176,25.74688067,32.32302034,42.44399096,40.53626858,31.73905822,25.38923089,19.70431086,12.01662072,4.001516144,3476.407621,2904.481805,5666.926698,7146.653976,5450.986064,4463.193657,4061.94931,3137.747111,1664.258868,36.75,43.25,63,67.25,51.75,40.5,34,24,9,48.76541633,51.7541979,27.68947547,18.98421888,19.07998918,16.96715385,11.60599304,4.713072,1.016064,161.8947969,207.370702,136.7095491,102.6066357,104.7835187,100.4301759,82.29048929,58.96803508,31.08374443,6.992481333,7.2444972,7.076573889,6.962027535,6.974636,6.971548741,6.919036167,6.85152,6.718464,1.226041937,1.616151017,1.178999749,0.942703921,0.961789643,0.940341885,0.821012953,0.66759004,0.444612905,165.54322,145.2240902,157.4146305,166.2012552,165.1813959,165.3034688,169.2478879,174.3192839,184.917652,1.75,2.1625,1.75,1.563953488,1.568181818,1.5,1.416666667,1.333333333,1,0.04378992,-0.00432406,-0.018952206,-1.71E-04,-0.003470449,-8.67E-04,0.00196673,-8.91E-04,0.004814006,564.9747087,-53.80711511,-201.7766817,13.45177878,-40.35533633,-80.71067267,-40.35533633,-2.74E-13,121.066009,1050.594596,-100.0566282,-375.2123557,25.01415705,-75.04247115,-150.0849423,-75.04247115,8.53E-14,225.1274134,0.110674667,-0.010540444,-0.039526667,0.002635111,-0.007905333,-0.015810667,-0.007905333,-6.81E-16,0.023716,4.696646663,-0.447299682,-1.677373808,0.111824921,-0.335474762,-0.670949523,-0.335474762,-3.25E-15,1.006424285,25.51225921,-2.429738973,-9.111521147,0.607434743,-1.822304229,-3.644608459,-1.822304229,-8.66E-15,5.466912688,3.30952381,-0.616213152,-0.816326531,0.068594104,-0.43877551,-0.421768707,0.289115646,-0.336734694,0.617346939,0.002085234,-2.16E-04,-5.26E-04,-3.97E-06,-1.05E-04,-3.21E-05,8.19E-05,-4.95E-05,5.35E-04,26.90355756,-2.690355756,-5.604907824,0.312832065,-1.22288898,-2.989284173,-1.681472347,-1.52E-14,13.45177878,50.0283141,-5.00283141,-10.42256544,0.581724583,-2.274014277,-5.558701566,-3.126769631,4.74E-15,25.01415705,0.005270222,-5.27E-04,-0.001097963,6.13E-05,-2.40E-04,-5.86E-04,-3.29E-04,-3.78E-17,0.002635111,0.223649841,-0.022364984,-0.046593717,0.00260058,-0.010165902,-0.024849982,-0.013978115,-1.80E-16,0.111824921,1.214869486,-0.121486949,-0.25309781,0.014126389,-0.05522134,-0.134985498,-0.075929343,-4.81E-16,0.607434743,0.157596372,-0.030810658,-0.022675737,0.001595212,-0.013296228,-0.015621063,0.012046485,-0.018707483,0.068594104,-0.103682831,-0.252465715,-0.001905311,-0.050433247,-0.015405572,0.039298749,-0.023732655,0.256512905,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,-5.65E-16,0.5,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,9.47E-17,0.5,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,-7.18E-15,0.5,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,-8.07E-16,0.5,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,-3.96E-16,0.5,-0.195503597,-0.143884892,0.010122135,-0.084368869,-0.099120703,0.076438849,-0.118705036,0.435251799,1.41336428,1.315405048,1.048229969,1.169634258,0.936844601,0.627285096,0.575361235,1.83E-05,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.586330935,1.175059952,0.966203781,1.052975801,0.923261391,0.692446043,1.007194245,0,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,33.17168758,16.51441522,26.3014442,33.06964677,4.724235253,16.51441542,-0.142857143,0.116346709,0.016620958,-1.505826475,25.42955888,3.632794125,2.265138563,0,11.89,12.11009426,-0.160379045,0.06103321,5.129862217,7.044812138,6,20,19,19,5,1,1,0,0,1,15.304898,3.512714711,3.139583825,2.695830913,2.127646664,1.603892564,1.293866965,0.750445195,0.083923071,1.881411882,1.688132795,1.36461443,1.024195326,0.737504923,0.580196965,0.260463024,0.083923071,3.536210819,3.177688002,2.74371253,2.195568475,1.695912636,1.404117954,0.886838218,0.270913902,1.824885,1.610768069,1.273564199,0.909034399,0.600543781,0.431493138,0.093362734,0.270913902,3.641919659,3.343968271,2.950852102,2.483468626,2.074126321,1.844897189,1.417618328,0.943918427,1.663488105,1.376801627,0.991273819,0.538339161,0.144047724,0.075582297,0.488946631,0.943918427,3.553648911,3.205711777,2.778854815,2.24513635,1.762410262,1.483022975,0.983553245,0.399277246,1.789305984,1.560910539,1.214285564,0.832954886,0.508909607,0.331203095,0.020172058,0.399277246,3.694803858,3.423801707,3.048807729,2.615655102,2.241467126,2.034313152,1.639142064,1.207644823,1.614766388,1.302097472,0.899047957,0.41249167,0.017322926,0.259974192,0.70662939,1.207644823,3.585030126,3.220752873,2.875375255,2.31583412,1.831438012,1.551166707,1.128381486,0.56,1.765443383,1.521948933,1.105288947,0.730438526,0.411032046,0.227901289,0.174074546,0.56,0,0,0,2,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,5.276020882,3.064043477,1.668327946,0.857710728,0.451184464,0.23570226,0.11785113,0,0.753717269,0.510673913,0.333665589,0.214427682,0.150394821,0.11785113,0.11785113,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,2,0,3,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.447916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.607013889,0,0,1.292986111,0.580555556,0,0.607013889,0,0,0,0,0,0,0,0,4.353333333,0,3.69875,0,4.447916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.211805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.225625,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.158888889,0,1.180555556,0,2.211805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.290277778,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.194444444,0,1.274305556,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.5,1.785714286,0.306319444,2.236111111,0.225625,1.180555556,4.908854167,0.319444444,0.236111111,1.6025,0.319444444,0.236111111,1.6025,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.28571,0,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.49934,0.78562,6.60412,1.10478,0.15783,2.87132,0.41019,3.41421,0.54289,0.07756,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.962815041,2.987090042,3.463280518,3.232101805,2.624632976,19.28421252,41.21911587,62.72889087,72.72889087,67.8741379,55.1172925,0.209068641,0.446874589,0.680071533,0.788485937,0.735853422,0.597550842,3.474021589,2.429502381,1.405227381,0.929036905,1.160215618,1.767684446,0.209068641,0.446874589,0.680071533,0.788485937,0.735853422,0.597550842,6.73287657,14.93125992,18.05729752,18.5372142,17.2573527,13.9508934,27.64912502,19.06805416,16.36502553,15.14260039,16.89724055,17.32556464,7,6,6,7,2,7,2.23,1.0519,0.166666667,3.838519496,0,0,5.676240019,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.207,5,4,3,2,1,0,0,0,0,28,2.079441542,2.079441542,2.079441542,1.945910149,1.609437912,1.098612289,0,0,0,0,3.713572067,1.428571429,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,0,126.9918924,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,98.10955045,4.671883355,12.83378878,1.833398397,0,0,0,56,4,3.807,22,1.211422317,2.106461999,2.886383982,3.689916693,5.04375108,5.985449854,7.225199526,8.220566723,0,0,73.5066391,66.40465938,66.8587127,89.78841271,99.84277315,81.27132409,36.3775118,8.352621907,0,0,276.4717317,311.6637717,327.6625076,452.1982024,550.7370406,538.8904643,443.5890657,255.5259951,0,0,8.810737505,14.96272081,20.15456873,25.92548881,35.27682572,41.5695081,49.58726279,55.22958159,0,0,2.094885549,2.62999547,2.904267103,3.980084936,5.023086521,5.23547689,4.963676101,3.65497005,0,0,173.7740571,327.5105823,475.6185231,595.2606003,825.3413776,1001.058075,1252.827504,1520.127897,0,0,2.713374016,3.823356992,4.687023028,6.225095923,7.823098436,8.838198378,9.843194643,8.220566723,0,0,0.434326974,0.556373766,0.621143116,0.849071152,1.078142826,1.135550367,1.100096559,0.841786032,0,0,350.3690005,149.9739821,9.94724686,101.9879767,-43.65552594,-6.5815862,248.3810238,193.629508,16.52883306,0.774540945,0.331539005,0.021989816,0.225459055,-0.096506804,-0.014549541,158.491862,67.84177719,4.499706521,46.13497284,-19.74788175,-2.977226438,0.132918988,0.206030955,2.158283149,1.632807719,452.3569772,0,1,0,394.76085,19.86858953,7.335752863,534.9889878,23.12982896,8.11798568,577.186304,24.02470196,8.32604344,2.637302947,2.637302947,681.251504,659.6564769,37.42351304,1.032736777,18.20383627,17.62679191,4.050971912,4.649262709,9.267247064,0.993272405,5.728361853,4.941817656,2.68841746,18.73997769,8.393631294,1.602047449,4.480593623,5.659587055,10.02586926,0.093672682,1.396101263,7.043797307,1.951736095,4.751448617,0.002383695,3.695949215,7.91E-04,0.004438704,4.80E-24,1.00E-66,4.04E-131,3.13E-217,0,0,0,0,0,0,0,0,0.480749584,4.936508913,0.22163398,5.11586674,0.065714726,0.132794804,0.706412267,0.066781979,3.141846681,6.64E-04,0.076812455,0.504084315,0.044181437,1.119212738,1.69E-05,0.078967213,5.57E-06,3.13E-05,3.38E-26,7.06E-69,2.84E-133,2.21E-219,0,0,0,0,0,0,0,0,1.551899123,4.936863785,0.718088169,6.1104968,0.6329958,0.427229606,1.476490116,0.484547039,3.981431934,0.006886779,0.271242066,1.602047333,0.221440302,1.615677221,1.75E-04,0.407265457,5.81E-05,3.26E-04,3.53E-25,7.36E-68,2.96E-132,2.30E-218,0,0,0,0,0,0,0,0,5.40710679,4.941234848,2.534901997,17.27397095,7.483117272,1.510165401,4.249430206,5.061126909,9.404347138,0.083463818,1.288850463,6.559622133,1.759918162,4.442429731,0.0021239,3.329474019,7.05E-04,0.003954805,4.28E-24,8.93E-67,3.60E-131,2.79E-217,0,0,0,0,0,0,0,0,2.287209702,4.937323775,1.060987311,7.323680907,1.358716057,0.630974316,2.005217362,0.986254425,4.725716422,0.014947765,0.426940974,2.426114488,0.406103907,2.029215932,3.80E-04,0.75437085,1.26E-04,7.08E-04,7.66E-25,1.60E-67,6.44E-132,5.00E-218,0,0,0,0,0,0,0,0,6.917824753,4.944268252,3.259655531,24.88547076,12.21980255,1.944442878,5.336613446,8.166166845,12.55426989,0.136597906,1.823274301,8.93164981,2.747152488,5.99399785,0.003476061,5.217530923,0.00115381,0.006473432,7.01E-24,1.46E-66,5.89E-131,4.57E-217,0,0,0,0,0,0,0,0,3.223524143,4.452919942,1.554663132,9.463696618,2.657932113,0.858173564,2.873841842,1.884386718,5.594527913,0.029393151,0.611359014,3.471941962,0.674138322,3.004494646,7.48E-04,1.374981499,2.48E-04,0.001391977,1.51E-24,3.14E-67,1.27E-131,9.83E-218,0,0,0,0,0,0,0,0,8.239461867,0.797810433,0.373942599,0.875493967,0.084772311,0.602327525,0.614692331,0.476182424,9.411214898,9.952949726,21.82228701,0.813240951,1.69320228,6.645077198,0.301648653,0.080616128,0.945603219,0.042925,0.391783087,0.087861399,0.022131321,7.027341979,2.564496726,9.753432007,0.918404829,0.501775807,7.27831411,0.498708933,0.197115881,0.912739818,0.062540788,0.470005006,0.240169978,0.132314277,7.974138925,5.162735016,13.85235733,0.869109727,0.842489261,8.199989309,0.78552695,0.366680662,0.876798187,0.083993842,0.596570539,0.595908188,0.457867155,9.352196921,9.736127643,21.45022933,0.815197281,1.650345881,7.560574285,0.586546391,0.249044616,0.900479448,0.069858843,0.507164204,0.332231069,0.211211612,8.396165293,6.463624106,15.96420952,0.850719171,1.050606885,8.363039929,0.836266712,0.396677785,0.871514538,0.087147569,0.620529869,0.675385381,0.535845065,9.595984427,10.64289249,23.01313499,0.807271806,1.831760315,8.209047176,0.785312854,0.366826044,0.876923833,0.083890316,0.597886515,0.595598242,0.458230299,9.361186074,9.746035777,21.4720284,0.81538575,1.651715056 +UMLMON0138,L,3-heptene,CCCC=CCC,11612, (trans) reported,UML,[1],C7H14,PubChem,,79.3,0,0.6446,0.41550916,17.4389,12.374344,0,0,12,4,8,0,4,0,0,0,0,0,0,0,0,0,585.184996,673.913188,463.107794,132.247584,12.192768,0,0,0,0,1942.737562,2611.960538,2608.765155,1489.287352,373.0049332,0,0,0,0,83.909776,87.10312,148.3202,145.079424,80.621568,0,0,0,0,14.71250324,20.06395448,23.39048486,16.02618505,5.335354858,0,0,0,0,1986.518641,1732.157806,3321.89264,3565.319649,2219.011824,0,0,0,0,18.27777778,22.25,31.33333333,28,12,0,0,0,0,48.76541633,56.15943233,22.0527521,6.297504,1.016064,0,0,0,0,161.8947969,217.6633782,124.2269121,70.91844535,31.08374443,0,0,0,0,6.992481333,7.258593333,7.062866667,6.908544,6.718464,0,0,0,0,1.226041937,1.671996207,1.113832613,0.763151669,0.444612905,0,0,0,0,165.54322,144.3464838,158.1853638,169.7771262,184.917652,0,0,0,0,1.523148148,1.854166667,1.492063492,1.333333333,1,0,0,0,0,0.01609244,-0.001397082,-0.008526309,-0.005528953,0.007406123,0,0,0,0,322.8426907,-1.35E-13,-201.7766817,-121.066009,161.4213453,0,0,0,0,600.3397692,0,-375.2123557,-225.1274134,300.1698846,0,0,0,0,0.063242667,9.07E-16,-0.039526667,-0.023716,0.031621333,0,0,0,0,2.683798093,-1.11E-15,-1.677373808,-1.006424285,1.341899046,0,0,0,0,14.57843384,4.40E-14,-9.111521147,-5.466912688,7.289216918,0,0,0,0,1.157407407,-0.444444444,-0.020833333,-0.56712963,0.453703704,0,0,0,0,0.001341037,-1.16E-04,-4.06E-04,-2.63E-04,6.17E-04,0,0,0,0,26.90355756,-1.13E-14,-9.608413413,-5.765048048,13.45177878,0,0,0,0,50.0283141,0,-17.86725503,-10.72035302,25.01415705,0,0,0,0,0.005270222,7.56E-17,-0.001882222,-0.001129333,0.002635111,0,0,0,0,0.223649841,-9.25E-17,-0.079874943,-0.047924966,0.111824921,0,0,0,0,1.214869486,3.66E-15,-0.433881959,-0.260329176,0.607434743,0,0,0,0,0.096450617,-0.037037037,-9.92E-04,-0.027006173,0.037808642,0,0,0,0,-0.086816021,-0.302761823,-0.196328311,0.460223754,0,0,0,0,-4.18E-16,-0.357142857,-0.214285714,0.5,0,0,0,0,0,-0.357142857,-0.214285714,0.5,0,0,0,0,1.43E-14,-0.357142857,-0.214285714,0.5,0,0,0,0,-4.14E-16,-0.357142857,-0.214285714,0.5,0,0,0,0,3.02E-15,-0.357142857,-0.214285714,0.5,0,0,0,0,-0.384,-0.010285714,-0.28,0.392,0,0,0,0,1.457708929,1.267407974,1.040104314,0.004144567,0,0,0,0,1.375,1.375,0.982142857,0,0,0,0,0,1.375,1.375,0.982142857,0,0,0,0,0,1.375,1.375,0.982142857,0,0,0,0,0,1.375,1.375,0.982142857,0,0,0,0,0,1.375,1.375,0.982142857,0,0,0,0,0,1.826,0.854857143,1.244571429,0,0,0,0,0,8.199295459,4.09964773,6.482832401,8.199295459,2.049823865,4.131441996,-1.78E-15,0.10541112,0.02635278,-0.899954859,16.95471773,4.238679432,1.132218451,8.199295459,4.09964773,6.482832401,8.199295459,2.049823865,4.131441996,-1.78E-15,0.10541112,0.02635278,-0.899954859,16.95471773,4.238679432,1.132218451,8.199295459,4.09964773,6.482832401,8.199295459,2.049823865,4.131441996,-1.78E-15,0.10541112,0.02635278,-0.899954859,16.95471773,4.238679432,1.132218451,8.199295459,4.09964773,6.482832401,8.199295459,2.049823865,4.131441996,-1.78E-15,0.10541112,0.02635278,-0.899954859,16.95471773,4.238679432,1.132218451,8.199295459,4.09964773,6.482832401,8.199295459,2.049823865,4.131441996,-1.78E-15,0.10541112,0.02635278,-0.899954859,16.95471773,4.238679432,1.132218451,8.199295459,4.09964773,6.482832401,8.199295459,2.049823865,4.131441996,-1.78E-15,0.10541112,0.02635278,-0.899954859,16.95471773,4.238679432,1.132218451,9.233860789,4.571791506,7.183784377,9.188721901,2.297180475,4.590215974,-0.090277778,0.056057046,0.014014261,-1.152554172,10.32066381,2.580165954,0.933659232,0,11.9,12.10004039,-0.149968906,0.05007066,4.933495331,5.997504729,4,12,12,12,4,0,0,0,0,0,8.745656,3.655766806,2.44126965,1.456797487,1.048635851,0.083923071,0.083923071,0.083923071,0.083923071,1.609084769,1.372874417,0.944510797,0.340307529,0.083923071,0.083923071,0.083923071,0.083923071,3.679464424,2.504797867,1.556142907,1.161811883,0.270913902,0.270913902,0.270913902,0.270913902,1.532051243,1.285229005,0.8242471,0.177034125,0.270913902,0.270913902,0.270913902,0.270913902,3.78376187,2.773435551,1.9628467,1.619577835,0.943918427,0.943918427,0.943918427,0.943918427,1.304234134,1.018928274,0.432252462,0.39146662,0.943918427,0.943918427,0.943918427,0.943918427,3.696923778,2.551095198,1.62787375,1.243233128,0.399277246,0.399277246,0.399277246,0.399277246,1.482803942,1.228596505,0.744460974,0.066155451,0.399277246,0.399277246,0.399277246,0.399277246,3.834691516,2.896868808,2.141548494,1.817637207,1.207644823,1.207644823,1.207644823,1.207644823,1.233507639,0.933903671,0.296913179,0.604157756,1.207644823,1.207644823,1.207644823,1.207644823,3.69204087,2.747143852,1.744477468,1.36150057,0.631578947,0.631578947,0.631578947,0.631578947,1.380144269,1.1655301,0.586754488,0.113581886,0.631578947,0.631578947,0.631578947,0.631578947,0,0,0,0,0,1,2,1,0,0.288675135,0.288675135,0,0,0,0.288675135,0.288675135,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0,0,0,0,0,0,2.991563832,1.89384685,1.682521985,0.577350269,0,0,0,0,0.747890958,0.473461713,0.336504397,0.288675135,0,0,0,0,2.991563832,1.89384685,1.682521985,0.577350269,0,0,0,0,0.747890958,0.473461713,0.336504397,0.288675135,0,0,0,0,6.167311215,11.55134741,10.90196078,11.04,7.194217964,92.11302036,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.4163,18.398,6.597721372,10.29310485,13.19544274,3.298860686,6.59985401,0.060873882,0.01521847,-1.119580428,9.384565373,2.346141343,0.895626543,13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,1,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.8,0,0,0,0,0,0,0,0,0,0,0,2.277777778,0,2.972222222,0,0,0,1.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.277777778,0,1.486111111,0,0,0,1.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.277777778,0,1.486111111,0,0,0,1.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.333333333,1.583333333,0.2,2.277777778,0.2,1.083333333,2.877027778,0.25,0.277777778,0.555555556,0.25,0.277777778,0.555555556,2,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,2,0.5,2,0.5,0,0,-2,-0.5,0,0,2.60095,0.65024,2.60095,0,0,1.89384,0.47346,1.89384,0,0,0.02016,0.00504,0.10616,0.02654,0.25,4,0,0,0,0,0,0,1,0.918295834,1.418295834,2.355388542,2.355388542,2.056641667,1.028320834,11.01955001,17.01955001,28.26466251,28.26466251,24.67970001,12.33985,0.256152145,0.395623618,0.657019018,0.657019018,0.573685685,0.286842842,2.666666667,2.166666667,1.229573959,1.229573959,1.528320834,2.556641667,0.256152145,0.395623618,0.657019018,0.657019018,0.573685685,0.286842842,6.73287657,12.73287657,13.67730206,13.67730206,10.09233956,1.036367477,15.79950001,11.87468751,12.66691771,12.66691771,10.87443646,3.613283334,2.25,0.48,0.444444444,0,0,0,1.9,0.5636,0,1,1,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,1.898,5,2,0,0,0,0,0,0,0,15,1.609437912,1.791759469,1.098612289,0,0,0,0,0,0,0,2.772588722,1,0.5,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,0,1,2,1,1,0.5,0,0,0,0,0,0,0,0,0.25,0.25,0,0,0,0,0,0,0,0,0.5,4.09964773,6.482832401,8.199295459,2.049823865,4.131441996,0.10541112,0.02635278,-0.899954859,16.95471773,4.238679432,1.132218451,0,65.3839385,3,2.944438979,3.663561646,4.442651256,5.198497031,5.978885765,6.746412129,7.524561226,8.296297113,9.072800958,61.8681061,2.197224577,1.945910149,3.36729583,3.713572067,4.762173935,5.351858133,6.248042875,6.940222469,7.770223204,8.373091847,56.06260026,4.671883355,7.175868588,1.793967147,0,0,0,8,0,2.215,18,1.215072745,2.120628979,2.893722488,3.479644668,0,0,0,0,0,0,78.71764966,52.56488253,18.93874243,3.53554168,0,0,0,0,0,0,288.9626509,281.3047528,210.6149847,108.1603856,0,0,0,0,0,0,8.853252993,15.02346118,20.01716059,23.37786744,0,0,0,0,0,0,2.164450208,2.475034551,2.251503813,1.547094924,0,0,0,0,0,0,173.3036923,332.085644,489.2366953,643.4477219,0,0,0,0,0,0,2.302776167,3.257444419,3.907483155,3.479644668,0,0,0,0,0,0,0.447811544,0.527022785,0.494801871,0.356315614,0,0,0,0,0,0,217.9464195,44.83211426,5.550102673,76.82905552,-15.80392558,-4.143102786,141.117364,60.63603984,9.693205459,0.739364153,0.152089024,0.018828238,0.260635847,-0.053613434,-0.014055114,64.24525936,13.21540778,1.636034152,22.64732134,-4.658609671,-1.221285092,0.144059459,0.302948283,3.336674146,8.546001518,294.7754751,0,1,0,273.2724995,16.5309558,6.48931182,353.2071057,18.79380498,7.068758492,318.7868406,17.85460279,6.831249202,1.37951954,1.147135927,84.76617534,74.00468405,31.58297694,1.145416354,2.683919743,2.343182664,2.55626431,2.18586549,4.214360659,0.928005488,3.223225698,2.982420326,1.193978704,6.385219353,3.509269072,5.588701762,1.410886831,4.76E-04,2.08E-27,1.91E-72,3.62E-139,1.36E-227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.270503035,2.981234798,0.086934066,2.04095402,0.040571947,0.170177695,0.009936991,3.35E-06,1.46E-29,1.35E-74,2.55E-141,9.61E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.87321668,2.981314158,0.289376618,2.436490819,0.298297313,0.746270722,0.103551111,3.50E-05,1.52E-28,1.40E-73,2.65E-140,1.00E-228,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.042462132,2.982290215,1.117882494,5.945489047,3.137613276,5.069507233,1.257074765,4.24E-04,1.85E-27,1.70E-72,3.22E-139,1.22E-227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.286960703,2.981416925,0.435333289,2.853867928,0.608923959,1.299091647,0.22492685,7.59E-05,3.31E-28,3.05E-73,5.76E-140,2.17E-228,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.892511819,2.982967393,1.485179693,8.210654047,5.066221659,7.723910747,2.057645846,6.95E-04,3.03E-27,2.79E-72,5.27E-139,1.99E-227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.063722876,2.732860698,0.64034163,4.270638481,1.441066519,2.816299953,0.562791423,1.90E-04,8.28E-28,7.63E-73,1.44E-139,5.44E-228,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.702018193,0.775483854,0.585812992,0.555613174,0.253151845,0.604988691,0.568071724,0.39181694,3.06331504,2.771240516,6.607762877,0.333419761,1.564877355,1.141171922,0.377584037,0.187326928,0.668884221,0.22131635,0.273556746,0.13464461,0.040580341,1.706082887,0.715392189,2.502192057,0.503326331,0.448781697,1.363252866,0.535616145,0.346262433,0.607204032,0.238567834,0.389072925,0.270969727,0.138061648,2.245131444,1.387687248,3.885652679,0.410806049,0.7981043,1.688071487,0.765632896,0.576009412,0.557171931,0.252707994,0.5951453,0.553729549,0.378955977,3.029713795,2.705799881,6.479973045,0.335757897,1.527830826,1.462546286,0.606057889,0.416803397,0.588453299,0.243846481,0.447365763,0.346943334,0.199581703,2.485407572,1.748588962,4.603445945,0.382679949,0.9938908,1.745698679,0.806324601,0.616488283,0.550952283,0.254480561,0.636350847,0.614158755,0.433406737,3.168511564,2.980892242,7.017172584,0.326428424,1.683916339,1.695458155,0.766843609,0.577327069,0.557784601,0.252281989,0.600348677,0.555473628,0.380617808,3.039628833,2.72170471,6.511946052,0.336676901,1.536440113 +UMLMON0139,L,methylcyclopropane,CC1CC1,11657,,"Sandia, UML",[1],C4H8,PubChem,,81.2,0,2.7101,7.34464201,33.556,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1481.085153,1313.546982,433.064016,45.72288,0,0,0,3399.790734,4147.41404,5822.053423,6786.356216,4812.071906,1398.768499,0,0,0,146.842108,144.889944,254.851524,308.59548,456.591168,302.33088,0,0,0,25.74688067,32.32302034,46.4696881,57.93453947,51.41918809,20.00758072,0,0,0,3476.407621,2904.481805,5688.794349,6426.300402,11155.32659,8321.294341,0,0,0,43.34027778,47.91666667,66.83333333,100.25,108,45,0,0,0,48.76541633,51.7541979,41.14125425,30.54760423,6.561576,1.016064,0,0,0,161.8947969,207.370702,161.7237062,157.8222376,72.9101804,31.08374443,0,0,0,6.992481333,7.2444972,7.079209,7.17663907,6.918048,6.718464,0,0,0,1.226041937,1.616151017,1.29082467,1.347314871,0.779078607,0.444612905,0,0,0,165.54322,145.2240902,158.0220653,149.4488466,169.0200999,184.917652,0,0,0,2.063822751,2.395833333,1.856481481,2.331395349,1.636363636,1,0,0,0,0.040156877,-0.011460777,0.02133683,-0.031997989,-0.038479845,0.040523342,0,0,0,564.9747087,-53.80711511,282.4873543,-672.5889389,-443.9086997,605.330045,0,0,0,1050.594596,-100.0566282,525.297298,-1250.707852,-825.4671826,1125.637067,0,0,0,0.110674667,-0.010540444,0.055337333,-0.131755556,-0.086958667,0.11858,0,0,0,4.696646663,-0.447299682,2.348323331,-5.591246027,-3.690222378,5.032121424,0,0,0,25.51225921,-2.429738973,12.75612961,-30.37173716,-20.04534652,27.33456344,0,0,0,6.228835979,-3.147833207,4.052484883,-2.227166793,-6.67356387,4.881660998,0,0,0,0.001912232,-5.73E-04,5.93E-04,-7.44E-04,-5.83E-04,9.01E-04,0,0,0,26.90355756,-2.690355756,7.846870954,-15.64160323,-6.725889389,13.45177878,0,0,0,50.0283141,-5.00283141,14.59159161,-29.08622913,-12.50707852,25.01415705,0,0,0,0.005270222,-5.27E-04,0.001537148,-0.003064083,-0.001317556,0.002635111,0,0,0,0.223649841,-0.022364984,0.065231204,-0.130028977,-0.05591246,0.111824921,0,0,0,1.214869486,-0.121486949,0.354336934,-0.706319469,-0.303717372,0.607434743,0,0,0,0.296611237,-0.15739166,0.112569025,-0.051794577,-0.101114604,0.108481356,0,0,0,-0.299670118,0.309946524,-0.389146922,-0.304893902,0.470925393,0,0,0,-0.1,0.291666667,-0.581395349,-0.25,0.5,0,0,0,-0.1,0.291666667,-0.581395349,-0.25,0.5,0,0,0,-0.1,0.291666667,-0.581395349,-0.25,0.5,0,0,0,-0.1,0.291666667,-0.581395349,-0.25,0.5,0,0,0,-0.1,0.291666667,-0.581395349,-0.25,0.5,0,0,0,-0.530632831,0.37951706,-0.174621087,-0.340899438,0.365735825,0,0,0,1.605932855,0.624845364,1.686388322,1.194557626,0.089586859,0,0,0,1.5,0.833333333,1.843853821,1.071428571,0,0,0,0,1.5,0.833333333,1.843853821,1.071428571,0,0,0,0,1.5,0.833333333,1.843853821,1.071428571,0,0,0,0,1.5,0.833333333,1.843853821,1.071428571,0,0,0,0,1.5,0.833333333,1.843853821,1.071428571,0,0,0,0,1.906455723,0.34530509,1.467760893,1.459487635,0,0,0,0,23.01945622,11.50972811,16.32996587,23.01945622,3.288493746,11.50975494,1.78E-15,0.020465962,0.002923709,-2.722294498,20.11403613,2.873433732,2.10099252,23.01945622,11.50972811,16.32996587,23.01945622,3.288493746,11.50975494,1.78E-15,0.020465962,0.002923709,-2.722294498,20.11403613,2.873433732,2.10099252,23.01945622,11.50972811,16.32996587,23.01945622,3.288493746,11.50975494,1.78E-15,0.020465962,0.002923709,-2.722294498,20.11403613,2.873433732,2.10099252,23.01945622,11.50972811,16.32996587,23.01945622,3.288493746,11.50975494,1.78E-15,0.020465962,0.002923709,-2.722294498,20.11403613,2.873433732,2.10099252,23.01945622,11.50972811,16.32996587,23.01945622,3.288493746,11.50975494,1.78E-15,0.020465962,0.002923709,-2.722294498,20.11403613,2.873433732,2.10099252,23.01945622,11.50972811,16.32996587,23.01945622,3.288493746,11.50975494,1.78E-15,0.020465962,0.002923709,-2.722294498,20.11403613,2.873433732,2.10099252,36.11052007,17.84414892,26.17595947,35.80893277,5.115561824,17.84414896,-0.422222222,0.076894926,0.010984989,-1.795720768,19.13488141,2.733554488,2.066059045,0,11.89,12.11009426,-0.148521395,0.075008929,6.113608975,9.084888987,6,20,19,19,5,1,1,0,0,1,15.304898,3.619371295,2.953347622,2.333552793,2.333552793,2.225322918,0.977127045,0.083923071,0.083923071,1.927005095,1.52948598,1.249629723,1.249629723,1.112399965,0.045491371,0.083923071,0.083923071,3.637760192,2.991875462,2.405454588,2.405454588,2.294225232,1.064312868,0.270913902,0.270913902,1.877329382,1.44647093,1.134540686,1.134540686,1.000294617,0.148662881,0.270913902,0.270913902,3.722590248,3.163443782,2.704236987,2.704236987,2.582340748,1.411894457,0.943918427,0.943918427,1.740319726,1.197865034,0.76031856,0.76031856,0.636663489,0.526334294,0.943918427,0.943918427,3.651517155,3.020418018,2.457539916,2.457539916,2.344258586,1.126803921,0.399277246,0.399277246,1.846492744,1.393125338,1.058262671,1.058262671,0.926052429,0.220504568,0.399277246,0.399277246,3.766311832,3.247382844,2.838982085,2.838982085,2.71295285,1.558158691,1.207644823,1.207644823,1.700471972,1.119779056,0.631337262,0.631337262,0.51182397,0.67020325,1.207644823,1.207644823,3.628379077,3.091825682,2.505389412,2.504705503,2.504705503,1.083368948,0.502994012,0.502994012,1.904615159,1.327202216,0.995723467,0.995723467,0.751411325,0.171271569,0.502994012,0.502994012,0,0,1,0,1,4,0,0,1,0,0,0,0,0,0,0,0,0,0,1.654700538,0.288675135,0.866025404,0.288675135,1.426776695,0.25,0.530330086,0.176776695,2.598076211,0.577350269,0,1.810660172,0.426776695,0,6.077350269,2.943375673,3.520725942,1.732050808,0,0,0,0,0.868192896,0.490562612,0.391191771,0.288675135,0,0,0,0,5.707106781,2.603553391,3.030330086,1.280330086,0,0,0,0,0.815300969,0.433925565,0.336703343,0.213388348,0,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,29,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,3,1,0,1,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.069444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.347569444,0,0,0,0.730208333,0.290277778,0,0.347569444,0,0,0,0,0,0,0,0,8.541666667,3.826388889,0,0,0,0,0,0,0,1.243055556,0,0,0.305555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.243055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.347569444,0,0,0,0.243402778,0.290277778,0,0.347569444,0,0,0,0,0,0,0,0,2.055555556,3.826388889,0,0,0,0,0,0,0,1.243055556,0,0,0.305555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.826388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.347569444,0,0,0,0.243402778,0.290277778,0,0.347569444,0,0,0,0,0,0,0,0,2.162037037,3.826388889,0,0,0,0,0,0,0,1.243055556,0,0,0.305555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.91666667,1.988095238,0.347569444,3.826388889,0.041666667,0.305555556,4.806381944,0.944444444,0.826388889,2.736111111,0.944444444,0.826388889,2.736111111,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.71429,0.14286,0.14286,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.8602,0.98003,8.30939,1.44919,0.20703,2.42902,0.347,2.94337,0.51435,0.07348,0.47063,0.06723,0.47063,0.06723,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.022106113,2.485693612,2.485693612,2.067377667,1.248011019,19.28421252,42.46422837,52.19956586,52.19956586,43.41493102,26.2082314,0.209068641,0.460373402,0.565918483,0.565918483,0.470680388,0.284134979,3.474021589,2.37021131,1.90662381,1.90662381,2.324939755,3.144306404,0.209068641,0.460373402,0.565918483,0.565918483,0.470680388,0.284134979,6.73287657,15.64275278,16.10996786,16.10996786,11.09017652,1.257776745,27.64912502,18.42100773,18.802954,18.802954,16.29305833,6.564250006,7,1.851851852,2.666666667,7,2,4,2.23,1.0519,3.920263408,0,3.298769777,3.789291416,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.155,0.135,0.064,0.154,2.725,9,6,0,0,0,0,0,0,0,28,2.079441542,2.48490665,2.302585093,0,0,0,0,0,0,0,3.555348061,1.214285714,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,5,0.833333333,0,2,3,0.5,3.5,1.333333333,0,0,0,0,0,0,0,0,0.583333333,0.148148148,0,0,0,0,0,0,0,0,0.731481481,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,0,126.9918924,3.807354922,3.433987204,4.110873864,4.934473933,5.666426688,6.475432717,7.221835825,8.026496939,8.776630098,9.580040124,71.22619739,2.564949357,0,3.891820298,0,5.379897354,0,6.91671502,0,8.466531277,8.706821323,98.10955045,4.671883355,12.29305504,1.75615072,0,0,0,42,6,3.228,30,1.2229,2.116561414,3.011412209,3.521725732,4.026504672,0,0,0,0,0,73.6156376,100.3594849,96.81001708,23.925122,4.091186443,0,0,0,0,0,277.7186352,379.2035108,486.5262772,262.9321786,125.1588422,0,0,0,0,0,8.892335553,15.06307534,21.62723733,24.39287347,27.05192669,0,0,0,0,0,2.107286619,2.954224617,4.118405739,2.792979861,1.790235939,0,0,0,0,0,175.5375183,328.8078369,449.0921268,592.9001607,744.5717898,0,0,0,0,0,2.9767125,4.187724238,7.124976389,5.848761227,4.026504672,0,0,0,0,0,0.4370085,0.617107812,0.870011179,0.61305613,0.412314078,0,0,0,0,0,351.1211501,141.6346931,10.85549502,167.1810312,-67.43721939,-11.43586148,183.940119,209.0719125,22.2913565,0.677444863,0.273266635,0.020944336,0.322555137,-0.13011178,-0.022064081,181.986858,73.40957036,5.626426746,86.65029312,-34.95285791,-5.927231951,0.132502459,0.245942531,4.223896361,11.74879808,518.3021813,0,1,0,395.3145785,19.88251942,7.339181199,531.3577082,23.05119754,8.099576812,689.4601971,26.25757409,8.834250974,1.148891779,1.117485267,260.8016125,212.0302183,160.182701,1.230020959,1.628150923,1.323677382,3.640420319,3.201922285,5.27386672,0.647093918,4.068092278,4.929674236,5.374655805,14.05417779,7.041797296,15.08027083,12.26793421,10.95634938,3.191534082,0.018065918,2.85E-23,1.06E-65,8.06E-130,1.20E-215,4.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.341405495,4.913902949,0.239361455,8.697665973,1.950413763,2.674271062,0.690854886,0.36651712,0.022478241,1.27E-04,2.01E-25,7.46E-68,5.68E-132,8.48E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.102080425,4.91495732,0.912180587,9.790134,2.334549912,4.475252122,2.233555244,1.547531851,0.234240558,0.001325936,2.09E-24,7.78E-67,5.92E-131,8.84E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.839939651,4.927942865,4.927471291,13.72593396,6.498345355,14.06205773,11.26895334,9.961145127,2.843599412,0.016096408,2.54E-23,9.44E-66,7.18E-130,1.07E-215,4.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.62426624,4.916323911,1.485515025,10.54034932,2.792767145,5.928721514,3.536172836,2.649420631,0.50880178,0.002880111,4.54E-24,1.69E-66,1.29E-130,1.92E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.912847316,4.936954308,7.181169419,15.26988254,9.317102539,19.14402038,16.29625688,15.03502431,4.654552496,0.026347444,4.16E-23,1.54E-65,1.18E-129,1.76E-215,5.9E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.240893204,3.26173207,1.916776138,11.05606323,3.303131885,8.556682676,5.184381535,3.882992803,0.807467638,0.004570731,7.21E-24,2.68E-66,2.04E-130,3.05E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.257484076,1.718760446,1.028185129,0.451097175,0.343447818,0.529637478,0.528444755,0.408481366,5.004429652,7.968389826,16.96225421,0.191817489,1.466563599,1.599781838,1.068335754,0.567709854,0.494396523,0.330158444,0.27787667,0.221926301,0.124532563,3.235827447,3.223820786,7.429923493,0.241594784,0.624335534,1.856788841,1.330874231,0.750595763,0.471474557,0.337934678,0.368459881,0.338089443,0.217691826,3.938258836,4.863798818,10.65689419,0.214113853,0.92424115,2.24078289,1.703076088,1.016785066,0.45171209,0.343317536,0.522429297,0.520537307,0.399473471,4.960644044,7.82628067,16.66720404,0.192544439,1.442440076,1.973145088,1.446100823,0.832115506,0.464120759,0.340150056,0.412773853,0.393135034,0.267545133,4.251361417,5.698574278,12.3242664,0.206406222,1.07345402,2.309901402,1.767733615,1.063875681,0.449265116,0.343815995,0.552548799,0.553207266,0.437332079,5.141510698,8.421387088,17.9070111,0.189621667,1.543088143,2.242849389,1.709910305,1.015618166,0.451424882,0.344158668,0.525066026,0.529365171,0.398557107,4.968377861,7.849565837,16.71291176,0.193375325,1.452988304 +UMLMON0140,L,"2,3,3-trimethyl-1-butene",CC(=C)C(C)(C)C,11669,,"Sandia, UML",[1],C7H14,PubChem,,90.5,0,2.0911,4.37269921,24.213,14.134344,0,0,13,5,8,0,5,0,0,0,0,0,0,0,0,0,729.449117,673.913188,681.025636,458.027474,130.215456,12.192768,0,0,0,2366.254464,2611.960538,2829.546749,2453.346433,1427.119864,373.0049332,0,0,0,91.450292,87.10312,134.132368,114.72788,131.642496,80.621568,0,0,0,17.50140324,20.06395448,23.17624481,21.16742034,15.13695924,5.335354858,0,0,0,2113.312997,1732.157806,3026.58137,2397.30438,3195.484345,2219.011824,0,0,0,34.02777778,36.33333333,41,42.33333333,35,12,0,0,0,56.11147054,56.15943233,35.84345453,28.62671712,6.853445053,1.016064,0,0,0,182.0195742,217.6633782,148.9235131,153.334152,75.11157177,31.08374443,0,0,0,7.034637846,7.258593333,7.059598316,7.1704925,6.928552421,6.718464,0,0,0,1.346261788,1.671996207,1.219802359,1.322963771,0.796682065,0.444612905,0,0,0,162.5625382,144.3464838,159.2937563,149.8315238,168.1833866,184.917652,0,0,0,2.617521368,3.027777778,2.157894737,2.645833333,1.842105263,1,0,0,0,0.027814169,-0.006746911,0.00367404,-0.011094575,-0.017554927,0.01781529,0,0,0,372.5107969,-45.8474827,79.5167278,-309.4705082,-125.3642105,214.9100751,0,0,0,692.6997337,-85.25535183,147.8647508,-575.4736249,-233.1201027,399.6344617,0,0,0,0.072972308,-0.008981207,0.015576781,-0.060623148,-0.024557988,0.042099408,0,0,0,3.096690107,-0.38113109,0.661024234,-2.572634858,-1.042155325,1.786551985,0,0,0,16.82126981,-2.070310131,3.590694133,-13.97459338,-5.661004263,9.704578737,0,0,0,5.769230769,-0.979289941,1.702662722,-2.993754109,-3.314431295,2.700197239,0,0,0,0.002139551,-5.62E-04,1.93E-04,-6.93E-04,-9.24E-04,0.001484607,0,0,0,28.65467669,-3.820623558,4.185090937,-19.34190676,-6.598116342,17.90917293,0,0,0,53.2845949,-7.104612653,7.782355307,-35.96710156,-12.26947909,33.30287181,0,0,0,0.005613254,-7.48E-04,8.20E-04,-0.003788947,-0.001292526,0.003508284,0,0,0,0.238206931,-0.031760924,0.034790749,-0.160789679,-0.05485028,0.148879332,0,0,0,1.293943832,-0.172525844,0.188983902,-0.873412086,-0.297947593,0.808714895,0,0,0,0.443786982,-0.081607495,0.089613827,-0.187109632,-0.174443752,0.225016437,0,0,0,-0.26278527,0.090378997,-0.32409175,-0.431839826,0.69388725,0,0,0,-0.133333333,0.146052632,-0.675,-0.230263158,0.625,0,0,0,-0.133333333,0.146052632,-0.675,-0.230263158,0.625,0,0,0,-0.133333333,0.146052632,-0.675,-0.230263158,0.625,0,0,0,-0.133333333,0.146052632,-0.675,-0.230263158,0.625,0,0,0,-0.133333333,0.146052632,-0.675,-0.230263158,0.625,0,0,0,-0.183888889,0.201929825,-0.42162037,-0.393079922,0.507037037,0,0,0,1.423843488,0.788845907,1.109891272,1.385940271,0.152890034,0,0,0,1.3,0.821052632,1.70625,1.026315789,0,0,0,0,1.3,0.821052632,1.70625,1.026315789,0,0,0,0,1.3,0.821052632,1.70625,1.026315789,0,0,0,0,1.3,0.821052632,1.70625,1.026315789,0,0,0,0,1.3,0.821052632,1.70625,1.026315789,0,0,0,0,1.314444444,0.516959064,1.455277778,1.532631579,0,0,0,0,10.89130739,5.445653697,7.828403424,10.89130739,2.178261479,5.456099025,-2.66E-15,0.195542539,0.039108508,-0.815988666,45.95411468,9.190822935,1.913821696,10.89130739,5.445653697,7.828403424,10.89130739,2.178261479,5.456099025,-2.66E-15,0.195542539,0.039108508,-0.815988666,45.95411468,9.190822935,1.913821696,10.89130739,5.445653697,7.828403424,10.89130739,2.178261479,5.456099025,-2.66E-15,0.195542539,0.039108508,-0.815988666,45.95411468,9.190822935,1.913821696,10.89130739,5.445653697,7.828403424,10.89130739,2.178261479,5.456099025,-2.66E-15,0.195542539,0.039108508,-0.815988666,45.95411468,9.190822935,1.913821696,10.89130739,5.445653697,7.828403424,10.89130739,2.178261479,5.456099025,-2.66E-15,0.195542539,0.039108508,-0.815988666,45.95411468,9.190822935,1.913821696,10.89130739,5.445653697,7.828403424,10.89130739,2.178261479,5.456099025,-2.66E-15,0.195542539,0.039108508,-0.815988666,45.95411468,9.190822935,1.913821696,14.45550217,7.12219553,10.23152886,14.32883551,2.865767101,7.124070515,-0.211111111,6.22E-15,1.24E-15,-16.35572444,4000000,800000,7.60090246,0,11.79,12.21002884,-0.271378852,0.15352257,5.001365046,6.931503656,4,12,10,10,2,2,2,0,0,2,8.745656,3.531459287,2.632723562,2.333552793,1.277284021,0.083923071,0.083923071,0.083923071,0.083923071,1.813935259,1.28863236,1.249629723,0.171053109,0.083923071,0.083923071,0.083923071,0.083923071,3.546955933,2.678704445,2.405454588,1.353739584,0.270913902,0.270913902,0.270913902,0.270913902,1.765193234,1.198525087,1.134540686,0.073853837,0.270913902,0.270913902,0.270913902,0.270913902,3.620792589,2.880207989,2.704236987,1.665520874,0.943918427,0.943918427,0.943918427,0.943918427,1.636714362,0.919888443,0.76031856,0.277918207,0.943918427,0.943918427,0.943918427,0.943918427,3.558666782,2.712617795,2.457539916,1.408962432,0.399277246,0.399277246,0.399277246,0.399277246,1.735477752,1.139886776,1.058262671,0.00632799,0.399277246,0.399277246,0.399277246,0.399277246,3.660358463,2.976500194,2.838982085,1.799958955,1.207644823,1.207644823,1.207644823,1.207644823,1.601166361,0.829493593,0.631337262,0.409131989,1.207644823,1.207644823,1.207644823,1.207644823,3.575299202,2.792693266,2.418101788,1.433636319,0.447761194,0.447761194,0.447761194,0.447761194,1.774030448,1.074818206,1.016270507,0.011327833,0.447761194,0.447761194,0.447761194,0.447761194,0,0,1,1,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.25,0,0,0,0.40824829,0,0,0.176776695,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.707106781,1.603553391,1.176776695,0.353553391,0,0,0,0,0.741421356,0.400888348,0.294194174,0.176776695,0,0,0,0,7.167311215,12.55134741,11.90196078,12.04,8.194217964,98.85571497,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,1.66369,23.731,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,2,0,1,0,0,0,0,0,0,0,0,2,1,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.48125,0,0,0,0,0.667361111,0,0.48125,0,0,0,0,0,0,0,0,3.930555556,3.398148148,0,0,0,0,0,2.694444444,0,1.143518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.143518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.48125,0,0,0,0,0.333680556,0,0.48125,0,0,0,0,0,0,0,0,1.965277778,3.398148148,0,0,0,0,0,2.694444444,0,1.143518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.398148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.48125,0,0,0,0,0.333680556,0,0.48125,0,0,0,0,0,0,0,0,1.965277778,3.398148148,0,0,0,0,0,2.694444444,0,1.143518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.16666667,2.233333333,0.48125,3.398148148,0.1875,1.143518519,3.514625,0.523148148,0.398148148,1.185185185,0.523148148,0.398148148,1.185185185,2.5,0.5,0,0,0.45385,0.7,0.41765,0.41765,0.7,0.0362,0.0362,0,0,0.71429,0,0,0.6,0.2,0,4,0.8,2,0.4,2,0.4,0,0,0,0,2.73496,0.54699,4.43249,1.69754,0.33951,1.31271,0.26254,2.27005,0.95734,0.19147,0.14395,0.02879,0.14395,0.02879,0,4,0,0,0,0,0,0,0.5,0.961236605,2.199687795,2.199687795,2.199687795,1.630389377,0.930287903,12.49607586,28.59594133,28.59594133,28.59594133,21.1950619,12.09374274,0.259762806,0.59443957,0.59443957,0.59443957,0.440593416,0.251399286,2.739203113,1.500751923,1.500751923,1.500751923,2.070050342,2.770151815,0.252468347,0.577746977,0.577746977,0.577746977,0.428221012,0.244339685,6.796774065,16.17036613,16.17036613,16.17036613,9.338785117,0.937567436,19.35422196,14.0290313,14.0290313,14.0290313,10.61324079,3.919918362,5,2.25,4,5,3,4,2.01,0.7271,1.144714243,1.889881575,2.381101578,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.104,0.088,0.143,0.175,1.64,4,2,0,0,0,0,0,0,0,15,1.945910149,2.302585093,2.197224577,0,0,0,0,0,0,0,3.36729583,1.866666667,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.5,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,0,89.76346443,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,68.06260026,5.235584635,8.696801932,1.739360386,0,0,0,18,2,3.921,16,1.195555219,2.085417533,3.126417651,3.827126228,4.634211471,0,0,0,0,0,76.24542778,87.98729165,97.76468396,28.00143556,4.708655445,0,0,0,0,0,281.4991237,347.8851231,498.6989087,300.8298787,144.048645,0,0,0,0,0,8.707179791,14.80479285,22.44440311,26.580235,31.13478294,0,0,0,0,0,2.114371785,2.770054866,4.240920488,3.155903531,2.060430224,0,0,0,0,0,170.7605571,326.2845975,466.7892539,638.5779325,856.9475043,0,0,0,0,0,3.736105,4.850862334,8.487324276,7.281397017,4.634211471,0,0,0,0,0,0.437671066,0.580900067,0.896544341,0.69105184,0.474543255,0,0,0,0,0,228.9410775,62.4725752,7.830715509,92.55338124,-25.25561656,-5.74663938,136.3876963,87.72819176,13.57735489,0.712115159,0.194319291,0.024357233,0.287884841,-0.078556926,-0.01787477,73.60328782,20.08458675,2.517531644,29.75539921,-8.119540778,-1.847512717,0.198171605,0.333561628,5.760525825,11.09848705,321.4944588,0,1,0,297.5481296,17.24958346,6.676042225,378.0253792,19.44287477,7.230588608,410.5273142,20.26147364,7.432142351,1.602241105,1.522849755,190.2196703,137.2309262,60.67567185,1.386128298,3.135023716,2.261712512,3.280595102,3.291486397,5.373743733,0.632619153,3.423145856,2.040658872,1.988026212,3.961610245,0.25379234,2.868353937,2.567418548,3.788103432,1.561445422,0.204171725,9.27E-18,8.16E-56,1.39E-115,4.54E-197,2.87E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.287495017,2.036936631,0.152001491,2.788174945,0.021295327,0.583381239,0.163039236,0.20218042,0.010997398,0.001437998,6.53E-20,5.75E-58,9.76E-118,3.20E-199,2.02E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.927548203,2.037185423,0.500457689,2.962547899,0.068746123,1.005990441,0.560852884,0.728920079,0.114601287,0.014985049,6.80E-19,5.99E-57,1.02E-116,3.33E-198,2.10E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.231183559,2.040250226,1.86631651,3.866725392,0.239556634,2.712973694,2.387333957,3.495974456,1.391219767,0.181913331,8.26E-18,7.27E-56,1.23E-115,4.04E-197,2.55E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.36692465,2.037507936,0.747475588,3.101593911,0.101321627,1.30910426,0.861544624,1.1514455,0.248929282,0.03254953,1.48E-18,1.30E-56,2.21E-116,7.24E-198,4.57E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.133895841,2.042377162,2.44923279,4.339095405,0.306503484,3.461251418,3.271535094,4.952158908,2.277221367,0.297765272,1.35E-17,1.19E-55,2.02E-115,6.62E-197,4.18E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.572194649,1.379654062,0.838588626,3.021409194,0.114611463,1.615241243,0.895732289,1.317081958,0.313054383,0.040934407,1.86E-18,1.64E-56,2.78E-116,9.10E-198,5.75E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.869576294,1.600321974,0.291162103,0.602717897,0.336127217,0.483389408,0.556071685,0.396556991,4.761060371,5.89371098,11.99185935,0.408267671,1.436018085,2.003839106,0.834879901,0.05643272,0.692136128,0.288371726,0.235713164,0.151098288,0.015259669,2.895151728,1.833161631,4.822723324,0.538204192,0.402071122,2.324363201,1.117996028,0.143613978,0.648181977,0.311769208,0.317151807,0.271079984,0.098122186,3.585973208,3.09299973,7.052172362,0.472272965,0.686353977,2.845628016,1.579124188,0.284692996,0.604238481,0.335310025,0.47535462,0.541411325,0.37940025,4.709445201,5.753295995,11.74203765,0.40932276,1.396166196,2.476650523,1.252649258,0.184895758,0.632735513,0.320027256,0.360071929,0.340418704,0.161875798,3.914195539,3.791906151,8.279717565,0.44910327,0.862366431,2.945486015,1.667518502,0.311662275,0.598108692,0.338605346,0.509302584,0.603842656,0.453362096,4.924666792,6.34935191,12.80479547,0.405071057,1.566507337,2.85894105,1.570595322,0.283124746,0.6066511,0.333271433,0.479812758,0.535577333,0.375235493,4.712661117,5.744350796,11.72830981,0.40997665,1.390625584 +UMLMON0141,L,"3-methyl-1,2-butadiene",CC(=C=C)C,11714,,"Sandia, UML",[1],C5H8,PubChem,,42.4,0,-0.2066,0.04268356,34.6912,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1483.122152,1564.909256,1210.855805,405.887328,45.72288,0,0,3947.642614,5029.877407,6806.459662,7774.63306,7379.004519,4747.615757,1398.768499,0,0,181.25648,180.900988,339.441056,442.613024,503.008052,495.704448,302.33088,0,0,30.31423229,39.56609758,57.48793273,68.17071473,69.15295802,52.0800713,20.00758072,0,0,4342.872585,3643.766351,7584.388218,10167.38237,11815.2405,12360.21782,8321.294341,0,0,42.05555556,49.77777778,74.91666667,96.66666667,112,102,45,0,0,45.09238923,49.11105724,30.89837817,24.83982946,16.81744174,5.637324,1.016064,0,0,151.8324082,201.1950963,141.801243,123.406874,102.4861739,65.93910774,31.08374443,0,0,6.971403077,7.23603952,7.071688667,7.025603556,6.986222944,6.884784,6.718464,0,0,1.165932011,1.582643903,1.197665265,1.082074837,0.96045775,0.723334324,0.444612905,0,0,167.033561,145.7506541,158.0080879,161.3870218,164.1005625,171.6696919,184.917652,0,0,1.617521368,1.991111111,1.560763889,1.534391534,1.555555556,1.416666667,1,0,0,0.03606508,-0.007592148,-0.004692776,7.36E-04,-0.012230799,-0.018098212,0.023845377,0,0,670.5194345,-58.02572029,-45.8474827,-97.42590073,-357.4670917,-292.2777022,515.7841804,0,0,1246.859521,-107.9013047,-85.25535183,-181.1676226,-664.7253213,-543.5028679,959.1227081,0,0,0.131350154,-0.01136684,-0.008981207,-0.019085065,-0.070025349,-0.057255195,0.10103858,0,0,5.574042193,-0.482369036,-0.38113109,-0.809903567,-2.971631468,-2.4297107,4.287724764,0,0,30.27828566,-2.620236259,-2.070310131,-4.399409027,-16.1419493,-13.19822708,23.29098897,0,0,3.487179487,-1.641518738,-0.034023669,0.120808679,0.791913215,-3.118343195,2.137573964,0,0,0.001387118,-3.04E-04,-9.78E-05,1.17E-05,-1.70E-04,-2.51E-04,5.30E-04,0,0,25.78920902,-2.321028812,-0.95515589,-1.546442869,-4.964820718,-4.059412531,11.46187067,0,0,47.95613541,-4.316052187,-1.776153163,-2.87567655,-9.23229613,-7.548650944,21.31383796,0,0,0.005051929,-4.55E-04,-1.87E-04,-3.03E-04,-9.73E-04,-7.95E-04,0.002245302,0,0,0.214386238,-0.019294761,-0.007940231,-0.012855612,-0.041272659,-0.033745982,0.095282773,0,0,1.164549448,-0.10480945,-0.043131461,-0.069831889,-0.22419374,-0.183308709,0.517577533,0,0,0.134122288,-0.06566075,-7.09E-04,0.001917598,0.010998795,-0.043310322,0.047501644,0,0,-0.21893294,-0.070481478,0.008422365,-0.1224641,-0.181213109,0.382012988,0,0,-0.09,-0.037037037,-0.059964727,-0.192515432,-0.157407407,0.444444444,0,0,-0.09,-0.037037037,-0.059964727,-0.192515432,-0.157407407,0.444444444,0,0,-0.09,-0.037037037,-0.059964727,-0.192515432,-0.157407407,0.444444444,0,0,-0.09,-0.037037037,-0.059964727,-0.192515432,-0.157407407,0.444444444,0,0,-0.09,-0.037037037,-0.059964727,-0.192515432,-0.157407407,0.444444444,0,0,-0.489558824,-0.005284926,0.014297386,0.082005719,-0.322916667,0.354166667,0,0,1.755267596,1.115791254,1.017089897,1.176549892,1.094046717,1.58E-05,0,0,1.625,1.222511574,1.14638448,1.191165123,0.940393519,0,0,0,1.625,1.222511574,1.14638448,1.191165123,0.940393519,0,0,0,1.625,1.222511574,1.14638448,1.191165123,0.940393519,0,0,0,1.625,1.222511574,1.14638448,1.191165123,0.940393519,0,0,0,1.625,1.222511574,1.14638448,1.191165123,0.940393519,0,0,0,2.102941176,0.833907782,0.891398226,0.954222835,1.493566176,0,0,0,34.83747069,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,-1.42E-14,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,34.83747069,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,-1.42E-14,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,34.83747069,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,-1.42E-14,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,34.83747069,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,-1.42E-14,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,34.83747069,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,-1.42E-14,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,34.83747069,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,-1.42E-14,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,45.89430528,22.81868042,32.35301007,45.70159695,5.712699619,22.81868042,-0.256944444,0.020425407,0.002553176,-3.112780552,29.74037994,3.717547493,2.714004573,0,11.89,12.11011416,-0.163300884,0.057615317,5.5975625,8.899504327,7,25,25,25,7,0,0,0,0,0,19.677726,3.577695675,3.033823398,2.902564078,2.333552793,2.158359307,1.598026915,1.329697604,0.799536031,1.950107724,1.628453427,1.563026335,1.249629723,1.057981325,0.769718516,0.555576148,0.287378039,3.602154634,3.075526295,2.950308951,2.405454588,2.226915609,1.695309721,1.432278403,0.933671614,1.894348711,1.545612802,1.473453684,1.134540686,0.942839812,0.630337185,0.411006381,0.122169339,3.71082862,3.257090894,3.155598408,2.704236987,2.516544332,2.090117344,1.847433766,1.455685557,1.732743249,1.29281334,1.195492746,0.76031856,0.571605204,0.162386152,0.076857313,0.452313445,3.620233761,3.106183012,2.985267979,2.457539916,2.276884688,1.765276817,1.506010736,1.028753948,1.859050919,1.492022154,1.415133181,1.058262671,0.866733555,0.536857124,0.313865687,0.010007601,3.764417201,3.343853287,3.252217518,2.838982085,2.649131608,2.26277616,2.028147589,1.673886504,1.683119188,1.211463716,1.104407163,0.631337262,0.445263731,0.004703131,0.252046414,0.666588149,3.580498841,3.18532199,3.083474825,2.634654398,2.366470503,1.855791473,1.5716612,1.128116863,1.88699292,1.398007425,1.305035835,0.878556837,0.748505711,0.414718268,0.211447329,0.12020106,0,0,0,0,0,4,2,2,0,0,0,0,0,0,0,0,0,0,0,0.5,0,0.166666667,0,0.5,0,0.166666667,0,1.138071187,1.304737854,0.333333333,1.138071187,1.304737854,0.333333333,6.568914101,3.718744015,2.820593172,1.991563832,1.231484176,0,0,0,0.821114263,0.531249145,0.352574147,0.248945479,0.246296835,0,0,0,6.568914101,3.718744015,2.820593172,1.991563832,1.231484176,0,0,0,0.821114263,0.531249145,0.352574147,0.248945479,0.246296835,0,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,43,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.150462963,0,2.68287037,0,0,0,1.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.271990741,0,1.341435185,0,0,0,0.87962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.303240741,0,1.341435185,0,0,0,0.953703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.708333333,0.2,2.303240741,0.2,0.87962963,6.025310185,0.453703704,0.303240741,2.300925926,0.453703704,0.303240741,2.300925926,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0.25,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.08078,1.1351,9.08078,0,0,3.71873,0.46484,3.71873,0,0,0.19527,0.02441,0.19527,0.02441,0,7,0,0,0,0,0,0,1,0.89049164,1.352030102,2.430457026,2.862961352,2.628835904,2.141910926,23.15278265,35.15278265,63.19188266,74.43699516,68.34973349,55.68968407,0.189448582,0.287639068,0.517070141,0.609083729,0.559274464,0.455683097,3.809948078,3.348409616,2.269982693,1.837478366,2.071603814,2.558528792,0.191756937,0.291143835,0.523370433,0.616505171,0.566088999,0.461235413,6.648700044,12.18716158,15.81068299,15.08187147,14.02338128,8.416499269,31.72521615,23.41346491,20.82594038,22.26853035,19.67154262,14.53242082,8,3.9375,2.8125,8,0,5,2.34,1.2358,1.683693072,3.509530701,4.298279727,0,0.5,2.828427125,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,3.31,8,8,5,0,0,0,0,0,0,36,2.079441542,2.197224577,2.197224577,1.791759469,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,2,4,1,2,1.111111111,0.625,0,0,0,0,0,0,0,0.285714286,0.138888889,0.078125,0,0,0,0,0,0,0,0.502728175,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,0,146.9243357,4,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,72.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.389132521,114.1408506,4.390032714,14.50113758,1.812642197,0,0,0,67,8,4.77,30,1.2278,2.116942009,2.890690877,3.528596142,4.132140447,4.3327157,0,0,0,0,71.2221278,74.49919381,79.84960211,63.02420955,22.98088678,4.402316445,0,0,0,0,272.5498825,326.3003669,379.4586064,377.8491409,270.1064129,134.6770275,0,0,0,0,8.919363223,15.03016952,20.35934474,24.711296,28.43761771,29.10919445,0,0,0,0,2.081648384,2.695254639,3.265893871,3.505412155,2.970021323,1.926381313,0,0,0,0,176.77647,330.1832551,462.903554,574.4099365,710.2615072,801.1956141,0,0,0,0,2.496728889,3.41633496,4.54786457,5.629259083,5.825615065,4.3327157,0,0,0,0,0.4321989,0.568411947,0.694088941,0.753886931,0.656153289,0.443670088,0,0,0,0,371.5176786,164.1672059,8.997885567,144.0348237,-63.64648554,-8.448576584,227.4828549,227.8136915,17.44646215,0.720620455,0.318429656,0.017452899,0.279379545,-0.123452966,-0.016387422,191.5368689,84.63681382,4.63888242,74.25751377,-32.81310489,-4.355684799,0.068116254,0.146923288,0.873985219,8.122908046,515.5525023,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,789.5810691,28.09948521,9.24270111,1.310755992,1.079729203,412.8023231,322.6413157,201.5450191,1.279446565,2.048189159,1.600839937,4.06011539,3.220218461,6.42424645,0.994972244,5.020210116,6.998742132,4.443943251,25.76328326,8.973577028,8.762590663,12.21431452,19.66810752,4.64749678,5.892806661,0.856847675,1.126710554,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421311436,6.641857987,0.273717616,9.632431182,1.07224249,2.100169938,0.740733364,0.886866376,1.020548014,0.078673318,0.006035917,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.36004468,6.665709896,0.948980455,11.88829835,1.638320707,2.868580356,2.366599633,3.365561985,1.360211116,0.52799507,0.062890516,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.738668827,6.959560866,4.12639298,24.40898435,8.119556589,8.145457723,11.25856482,18.03899481,4.283712223,5.275978254,0.763436588,1.003878819,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.00445563,6.696631338,1.464776098,13.74472297,2.337718176,3.571708022,3.695341534,5.469423332,1.712347729,1.055409531,0.136603976,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.062630795,7.163493128,5.690371494,31.19409337,12.55608542,11.28516008,16.04068002,26.24423159,6.155368459,8.472867128,1.249628322,1.643201452,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.12182802,5.684237802,2.244697555,16.06555888,3.729449733,4.677358484,6.038531587,9.162306394,2.818627232,2.184854302,0.293606345,0.386070957,2.75E-15,3.78E-51,1.00E-108,5.12E-188,5.05E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.074025219,1.781052037,0.961359942,0.528506561,0.306210138,0.457401346,0.459093694,0.41222919,5.816437198,10.14247567,21.22235747,0.292759841,1.328724229,2.339972777,1.279096355,0.487854151,0.569762963,0.311448807,0.265616525,0.240153122,0.107502923,4.106923283,4.758628548,10.32572401,0.354644444,0.613272569,2.642416221,1.485821343,0.683278519,0.549185782,0.308805233,0.338339114,0.32206611,0.209884912,4.811516083,6.746894467,14.24107026,0.323778672,0.870290135,3.056914392,1.769341895,0.950352406,0.529188414,0.306294227,0.45233885,0.453211487,0.40297755,5.776608693,9.995370978,20.91217611,0.293782621,1.308527887,2.772481674,1.574758248,0.767173742,0.542091793,0.307905921,0.372325857,0.360870776,0.263996086,5.114413663,7.7010767,16.16496201,0.31313769,0.997192719,3.127267816,1.817493092,0.995602851,0.526443824,0.305956532,0.473334867,0.477634474,0.441655921,5.94036376,10.60680571,22.20596467,0.289665737,1.392625263,3.067631537,1.771489602,0.953096127,0.52961265,0.305839633,0.455488325,0.454206068,0.405238512,5.792217266,10.04642499,21.01803097,0.294418975,1.314932905 +UMLMON0142,L,2-Methyl-3-ethylpentane,CCC(CC)C(C)C,11863,,"Sandia, UML",[1],C8H18,PubChem,,88.1,0,1.9611,3.84591321,44.3682,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1811.945363,1730.24881,1091.645693,418.834249,68.749632,3.048192,0,4184.657049,5188.491512,6941.531225,7153.864894,5777.269211,3454.660734,1080.621354,93.25123329,0,148.486212,153.276228,258.0923,299.576872,298.260788,291.380068,162.839808,20.155392,0,30.43545486,38.46263172,53.83398791,57.50203527,50.46311963,35.06558861,13.34643534,1.333838715,0,3360.161029,2978.619777,5445.36734,6454.021027,6522.071776,7040.720899,4310.843231,554.7529561,0,43.80555556,53.27777778,76.66666667,85.5,81.83333333,65.5,28,3,0,62.40808843,68.74581643,50.33181564,41.19640024,25.99156412,9.972244024,2.864568,1.016064,0,199.2693833,247.0710244,192.8203118,170.3301165,137.5540288,82.253827,45.02588975,31.08374443,0,7.070772,7.298868,7.169230556,7.132782667,7.101447333,6.937620667,6.784992,6.718464,0,1.449307374,1.831553891,1.495388553,1.369096078,1.201502848,0.834894967,0.556101472,0.444612905,0,160.0076681,141.839037,151.2602039,153.6671673,155.2874232,167.6362119,179.618468,184.917652,0,2.085978836,2.537037037,2.12962963,2.035714286,1.948412698,1.55952381,1.166666667,1,0,0.046050618,-7.60E-04,-0.007650617,-0.007931562,-0.024413667,-0.001953469,0.015368504,0.004315177,0,622.6251891,4.05E-13,56.82690218,-86.47572071,-536.1494684,-138.3611531,326.1370038,66.70984169,0,1157.798126,-5.68E-14,105.6720512,-160.8052953,-996.9928309,-257.2884725,606.4656852,124.0497992,0,0.121968,1.87E-15,0.011132,-0.01694,-0.105028,-0.027104,0.063888,0.013068,0,5.175896322,1.00E-14,0.472403236,-0.718874489,-4.457021833,-1.150199183,2.711183788,0.55456032,0,28.11555097,4.49E-14,2.566101874,-3.904937635,-24.21061333,-6.247900215,14.72719336,3.012380461,0,4.216931217,-0.498677249,0.595049131,-0.084656085,-2.835978836,-1.548941799,1.847316704,0.417422525,0,0.002192887,-3.62E-05,-2.13E-04,-1.89E-04,-5.81E-04,-4.65E-05,6.40E-04,0.001438392,0,29.64881853,1.93E-14,1.578525061,-2.058945731,-12.76546353,-3.29431317,13.58904183,22.2366139,0,55.13324411,-2.71E-15,2.935334756,-3.828697507,-23.73792455,-6.125916012,25.26940355,41.34993308,0,0.005808,8.91E-17,3.09E-04,-4.03E-04,-0.002500667,-6.45E-04,0.002662,0.004356,0,0.246471253,4.78E-16,0.013122312,-0.017116059,-0.106119567,-0.027385695,0.112965991,0.18485344,0,1.33883576,2.14E-15,0.071280608,-0.092974706,-0.576443175,-0.148759529,0.613633057,1.00412682,0,0.200806248,-0.023746536,0.016529143,-0.002015621,-0.067523306,-0.036879567,0.076971529,0.139140842,0,-0.016496526,-0.096912048,-0.086117864,-0.265074258,-0.021210021,0.292014342,0.655935523,0,6.50E-16,0.053240741,-0.069444444,-0.430555556,-0.111111111,0.458333333,0.75,0,-4.91E-17,0.053240741,-0.069444444,-0.430555556,-0.111111111,0.458333333,0.75,0,1.53E-14,0.053240741,-0.069444444,-0.430555556,-0.111111111,0.458333333,0.75,0,1.94E-15,0.053240741,-0.069444444,-0.430555556,-0.111111111,0.458333333,0.75,0,1.60E-15,0.053240741,-0.069444444,-0.430555556,-0.111111111,0.458333333,0.75,0,-0.11825596,0.082313885,-0.010037641,-0.336260979,-0.183657465,0.383312422,0.692910916,0,1.070326308,1.023853146,1.07960917,1.275491815,0.944577253,0.463057509,0.321522682,0,1.111111111,0.972222222,1.064814815,1.388888889,0.972222222,0.324074074,0,0,1.111111111,0.972222222,1.064814815,1.388888889,0.972222222,0.324074074,0,0,1.111111111,0.972222222,1.064814815,1.388888889,0.972222222,0.324074074,0,0,1.111111111,0.972222222,1.064814815,1.388888889,0.972222222,0.324074074,0,0,1.111111111,0.972222222,1.064814815,1.388888889,0.972222222,0.324074074,0,0,1.254705144,0.843527813,0.941028858,1.339397742,1.143350063,0.39523212,0,0,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,36.23576186,17.81607589,25.97236485,36.17883457,4.019870507,17.81607597,-0.102469136,0.37732554,0.04192506,-0.877182266,72.05083751,8.005648612,3.849634752,0,11.89,12.11013444,-0.153436031,0.066826687,5.60477583,8.758382517,9,21,18,15,3,3,0,0,0,6,13.118484,3.815451989,3.075118137,2.865431575,2.491428186,2.065863181,1.546866472,0.758537801,0.747197571,2.001089275,1.602785818,1.412022506,1.039832623,0.874599477,0.593247241,0.240146238,0.01471024,3.826248511,3.108616922,2.897776128,2.527345752,2.126045991,1.635373201,0.883828322,0.860754725,1.96965727,1.524738108,1.327729192,0.956313159,0.765275453,0.471444993,0.072641088,0.118207023,3.876099621,3.262098246,3.05086035,2.686069931,2.379384915,1.993484364,1.399095904,1.311220731,1.886586455,1.293564866,1.083183019,0.718064375,0.427869257,0.058398234,0.508412398,0.608368734,3.834319181,3.133690294,2.922237609,2.553825451,2.169785349,1.699057902,0.975709513,0.941301543,1.950554195,1.474727355,1.27402322,0.903816696,0.694237042,0.389755254,0.041045521,0.211082119,3.902039899,3.339127454,3.130478172,2.764392088,2.496632893,2.148060088,1.618834385,1.501590733,1.863064053,1.222463142,1.01057788,0.645649001,0.316911535,0.092088778,0.723335556,0.795599327,3.839034369,3.139635782,2.976334468,2.618386285,2.227845203,1.737148036,1.089192619,1.015538651,1.948311357,1.441557916,1.19230821,0.828731117,0.622025831,0.32252006,0.167128766,0.28778457,0,0,0,4,2,2,1,0,0,0,0,0,0.083333333,0.142258898,0,0,0,0.027777778,0.047419633,0.402368927,0,0.11785113,0,0.24639964,0,0.058925565,0,1.069035594,1.408291245,1.304737854,0.590704015,0.686226046,0.511653807,6.690234444,4.342535255,3.43006888,2.813496153,1.999552237,1.209772801,0.469913203,0.176776695,0.743359383,0.482503917,0.311824444,0.216422781,0.153811711,0.1008144,0.078318867,0.058925565,6.016507858,3.388010441,2.280038013,1.642156173,1.006776424,0.470606092,0.168143667,0.058925565,0.668500873,0.376445605,0.207276183,0.126319706,0.07744434,0.039217174,0.028023944,0.019641855,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,2.27702,39.46,37.21619288,52.5703477,74.43238575,8.270265084,37.21619288,0.046958593,0.005217621,-2.752640152,68.11258832,7.568065368,3.799045842,67,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,4,0,0,0,0,0,0,0,0,2,0,1,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.35333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.619375,0,0.645277778,0,0,1.619375,0,0,0,0,0,0,0,0,4.334490741,0,1.145509259,0,0,8.494537037,0,0,0,0,2.858796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.402777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.390972222,0,0.285972222,0,0,0.390972222,0,0,0,0,0,0,0,0,2.15162037,0,1.145509259,0,0,2.07787037,0,0,0,0,1.402777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.175925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.417430556,0,0.359305556,0,0,0.417430556,0,0,0,0,0,0,0,0,2.18287037,0,1.145509259,0,0,2.175925926,0,0,0,0,1.456018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.83333333,1.87037037,0.417430556,2.18287037,0.131944444,1.145509259,5.536261296,0.354490741,0.18287037,1.658055556,0.354490741,0.18287037,1.658055556,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.22222,0.22222,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.47,0.60778,9.99821,4.52821,0.50313,2.30382,0.25598,4.34252,2.0387,0.22652,0.07148,0.00794,0.15748,0.0175,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.392317423,3.272804327,3.463280518,3.517816091,3.748994804,20.68979086,50.23866588,68.72889087,72.72889087,73.8741379,78.72889087,0.224307135,0.544659503,0.745120175,0.788485937,0.800902064,0.853534579,3.407089287,2,1.119513095,0.929036905,0.874501332,0.643322619,0.214882485,0.521774698,0.713812671,0.755356345,0.767250788,0.817671857,6.75154531,17.86857762,21.89657578,22.08854245,24.23725238,23.42336627,33.82580122,24.64405706,18.90378553,18.37337889,16.02690347,16.55066085,7.111111111,3.239669421,1.704142012,2,6,2,2.45,1.1391,0.25,3.377018974,2.149139864,0,5.085675265,5.676240019,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.395,11,13,13,12,6,3,1,0,0,77,2.564949357,3.068052935,3.548179572,3.929371644,4.298135385,3.725693427,3.168897455,2.151035195,0,0,5.596800274,3.487824675,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,3,0.333333333,0,3,5,0.666666667,1.5,1.111111111,0.5,0.262222222,0.0625,0,0,0,0,0,0.166666667,0.101010101,0.05,0.052444444,0.0625,0,0,0,0,0,0.432621212,19.67321585,27.79929374,39.34643171,4.371825745,19.67321587,0.085014734,0.009446082,-2.218437623,74.26283141,8.251425712,3.876849519,0,133.0544855,4.169925001,3.713572067,4.48863637,5.283203729,6.075346031,6.874198495,7.669961995,8.469472455,9.266058861,10.06564892,79.90609892,2.944438979,0,4.143134726,0,5.579729826,0,7.115582126,0,8.689296048,8.925587339,120.0939004,5.718757161,17.54892744,1.949880827,0,0,0,86,10,3.33,40,1.233966845,2.155093317,3.000666189,3.819210269,4.420215118,4.777148637,6.220278543,0,0,0,94.26734244,118.7051746,131.6302254,103.7908291,45.61340059,14.80906016,6.320201097,0,0,0,326.927337,443.1414145,534.7234087,540.4876822,367.2491985,223.5774916,193.3495485,0,0,0,9.036759105,15.50629783,21.45958117,27.16518487,30.6712233,32.4533896,41.79071746,0,0,0,2.379713299,3.386138227,4.254589692,4.687961117,3.710644342,2.724406816,2.765616112,0,0,0,173.1445827,322.0546381,456.9986303,589.8320892,740.6386675,854.8402013,1150.239303,0,0,0,3.225409968,4.753000374,6.276400712,7.584604518,6.907612954,5.674736759,6.220278543,0,0,0,0.489733493,0.703952203,0.891019855,0.995442579,0.809070336,0.612688146,0.636956523,0,0,0,259.5801144,120.1504104,10.44255981,99.94381434,-46.26044003,-5.266602834,159.6363001,166.4108505,15.70916264,0.722010675,0.334193084,0.029045521,0.277989325,-0.12867138,-0.014648824,93.32526254,43.1969476,3.754350127,35.93219278,-16.63173514,-1.893469742,0.134028234,0.132854339,3.371181196,1.796578619,359.5239287,0,1,0,666.9778556,25.82591442,8.737163679,784.0715378,28.00127743,9.221153035,1144.579632,33.83163656,10.46040913,1.347313736,1.347313736,474.6571509,338.7134069,177.4974476,1.401353301,2.674163248,1.908271986,3.998773862,3.785524729,6.661528955,0.759737271,3.673559607,3.820521846,4.590786654,10.23740683,4.813842919,6.319166611,6.877168027,7.357090679,3.122708575,3.634518214,1.761155313,0.549171909,1.80E-05,4.16E-31,1.96E-78,1.86E-147,3.51E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0.30840601,3.820354291,0.274931965,4.666165069,1.86286297,1.323321946,0.563264368,1.002141587,0.537807051,0.196045131,0.078625717,0.003867863,1.27E-07,2.93E-33,1.38E-80,1.31E-149,2.47E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0.995305602,3.820365864,0.9595795,5.33783913,2.197420708,2.070768121,1.745147155,1.98526584,0.926787916,0.70466418,0.299395334,0.040306111,1.32E-06,3.06E-32,1.44E-79,1.37E-148,2.58E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,3.467547315,3.820503583,4.257125,9.731648482,4.538447208,5.916989534,6.452810772,6.85694252,2.915412043,3.355653106,1.614755282,0.489302284,1.61E-05,3.71E-31,1.75E-78,1.66E-147,3.13E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,1.466840637,3.820380527,1.487857196,5.93714934,2.506599524,2.664721625,2.588219267,2.753399647,1.234979925,1.111194132,0.487370178,0.087550259,2.87E-06,6.64E-32,3.13E-79,2.97E-148,5.59E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,4.436330396,3.820598555,5.905038706,12.29699651,5.941078111,7.917628514,8.491318928,9.335062998,3.945927727,4.744652664,2.352482511,0.800915617,2.63E-05,6.07E-31,2.86E-78,2.71E-147,5.12E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,2.020531525,3.398089614,2.053022472,6.382626863,3.002149286,3.285271819,3.625681586,3.729530452,1.715392115,1.67143586,0.749658872,0.156983167,5.15E-06,1.19E-31,5.61E-79,5.32E-148,1.00E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,3.667802899,2.169309956,0.445355239,0.583815603,0.345295817,0.515577832,0.504739303,0.339826193,6.282468095,10.55619014,20.38217233,0.393667131,1.360143328,2.765226974,1.307792774,0.174104215,0.651082238,0.307924324,0.2934515,0.184772012,0.051735008,4.247123963,4.325473761,9.202218433,0.476623357,0.529958521,3.080908201,1.609343915,0.269027862,0.62124103,0.324511607,0.364075534,0.279115564,0.1237562,4.959279978,6.220049366,12.51323429,0.431861545,0.766947298,3.640584829,2.143359406,0.437181626,0.585197103,0.344529182,0.507970246,0.492846308,0.327444953,6.221125861,10.33171588,19.9642057,0.394589428,1.328261507,3.238202038,1.759504082,0.316303136,0.609370794,0.331106703,0.402101548,0.33321384,0.171187974,5.314009257,7.278419826,14.39460723,0.41405619,0.906503362,3.755009346,2.252443246,0.471541089,0.579566755,0.347653256,0.54033365,0.543773079,0.381040541,6.47899368,11.29070617,21.75796866,0.390830016,1.465147271,3.646201704,2.144521794,0.436674449,0.585509668,0.344368838,0.509585099,0.493696982,0.326898846,6.227397947,10.34802001,19.98993225,0.394817759,1.330180927 +UMLMON0143,L,o-ethyltoluene,CCC1=CC=CC=C1C,11903,,"Sandia, UML",[1],C9H12,PubChem,,92.1,0,1.6606,2.75759236,30.6836,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,913.087565,804.128644,409.689673,100.076256,9.144576,0,0,2914.106344,3494.423905,4149.471199,4039.080402,3174.907034,1527.680798,279.7536999,0,0,125.864664,123.114164,211.6517,218.745616,230.913892,224.10432,60.466176,0,0,22.06875486,27.30703172,35.0937937,35.20091372,31.06407246,18.68581429,4.001516144,0,0,2979.777961,2471.442353,4779.986516,4927.642151,5376.46203,5911.511891,1664.258868,0,0,33.02777778,39.16666667,53.16666667,56,55.5,39,9,0,0,48.76541633,50.97680359,30.43625217,25.93963368,12.41483858,3.032613818,1.016064,0,0,161.8947969,205.5543474,138.3157066,130.2929162,96.20930407,46.29335751,31.08374443,0,0,6.992481333,7.242009647,7.055056667,7.056310194,6.997390667,6.79104,6.718464,0,0,1.226041937,1.606295984,1.169793123,1.135513346,0.941335529,0.566236797,0.444612905,0,0,165.54322,145.3789619,159.3328839,158.9561984,162.9230918,179.136724,184.917652,0,0,1.834876543,2.303921569,1.772222222,1.806451613,1.681818182,1.181818182,1,0,0,0.034021616,2.45E-04,-0.007674848,-0.013650479,-0.01479181,0.013167381,0.005693895,0,0,484.264036,-53.80711511,2.10E-13,-147.9695666,-363.198027,201.7766817,121.066009,0,0,900.5096538,-100.0566282,1.35E-13,-275.1557275,-675.3822403,375.2123557,225.1274134,0,0,0.094864,-0.010540444,5.61E-16,-0.028986222,-0.071148,0.039526667,0.023716,0,0,4.025697139,-0.447299682,1.11E-15,-1.230074126,-3.019272855,1.677373808,1.006424285,0,0,21.86765075,-2.429738973,2.40E-14,-6.681782175,-16.40073807,9.111521147,5.466912688,0,0,3.211419753,-0.886402606,0.112139918,-0.117198217,-2.452417695,0.996656379,0.741512346,0,0,0.00189009,1.44E-05,-2.56E-04,-4.40E-04,-4.48E-04,3.99E-04,6.33E-04,0,0,26.90355756,-3.165124418,6.99E-15,-4.773211824,-11.00600082,6.114444899,13.45177878,0,0,50.0283141,-5.885684011,4.50E-15,-8.875991211,-20.46612849,11.37007139,25.01415705,0,0,0.005270222,-6.20E-04,1.87E-17,-9.35E-04,-0.002156,0.001197778,0.002635111,0,0,0.223649841,-0.026311746,3.70E-17,-0.039679811,-0.091493117,0.050829509,0.111824921,0,0,1.214869486,-0.142925822,7.99E-16,-0.21554136,-0.496992063,0.276106701,0.607434743,0,0,0.178412209,-0.05214133,0.003737997,-0.003780588,-0.074315688,0.030201708,0.082390261,0,0,0.007626523,-0.135352432,-0.23297202,-0.237150982,0.211107196,0.334722178,0,0,-0.117647059,2.60E-16,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.117647059,9.00E-17,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.117647059,3.55E-15,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.117647059,1.65E-16,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.117647059,6.58E-16,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.292252028,0.020951466,-0.021190185,-0.416539251,0.169280503,0.461797213,0,0,1.296598248,1.313658388,1.422936665,1.11930576,0.317143651,0.003801213,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.712638155,0.894521864,1.017454388,1.503866148,0.481237167,0,0,0,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,21.39334399,10.65685718,16.22976098,21.34025757,3.556709594,10.65691428,-0.07962963,0.200050037,0.033341673,-0.965512657,16.1013119,2.683551983,1.667340452,0,11.89,12.11007471,-0.179299839,0.044676237,5.374547771,7.685503879,5,17,16,16,4,1,1,0,0,1,13.118484,3.540555378,2.865081898,2.54719039,1.886949926,1.505228104,0.344109736,0.083923071,0.083923071,1.875841698,1.524168067,1.355045439,0.886289331,0.628155545,0.083923071,0.083923071,0.083923071,3.560860944,2.912206141,2.607820635,1.965600326,1.598567031,0.471800875,0.270913902,0.270913902,1.822394366,1.434128227,1.249691962,0.761335285,0.494736601,0.270913902,0.270913902,0.270913902,3.654148109,3.115970063,2.865056506,2.292469171,1.977444195,0.958553255,0.943918427,0.943918427,1.673556754,1.155751879,0.914278472,0.35373006,0.046732001,0.943918427,0.943918427,0.943918427,3.576033742,2.946779797,2.652048431,2.022602679,1.665721835,0.561964105,0.399277246,0.399277246,1.789077632,1.375576207,1.180401024,0.678418554,0.405290945,0.399277246,0.399277246,0.399277246,3.701951025,3.212402365,2.98380042,2.439582945,2.142927699,1.207644823,1.207644823,1.207644823,1.629890309,1.06500317,0.801509977,0.212776649,0.113509522,1.153230243,1.207644823,1.207644823,3.573923729,2.996587406,2.741671856,2.090246595,1.72662782,0.63283836,0.537313433,0.537313433,1.782690817,1.303003175,1.077246187,0.600742919,0.311645504,0.537313433,0.537313433,0.537313433,0,0,0,1,1,3,1,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.204124145,0,0,0,0.577350269,0.288675135,0,0.40824829,0.204124145,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.78445705,2.426685576,1.488581196,1.050476816,0.204124145,0,0,0,0.797409508,0.485337115,0.297716239,0.262619204,0.204124145,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.51E-16,4.19E-17,-21.5515951,3000004.229,500000.7049,8.948474554,29,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,2,3,0,1,0,0,0,0,0,0,0,0,3,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.606481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.533680556,0.870833333,0,0.316319444,0,0,0,0,0,0,0,0,6.369212963,0,1.190972222,0,2.138888889,0,0,0,0,1.467592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.467592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.243402778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.068287037,0,1.190972222,0,2.138888889,0,0,0,0,1.467592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.138888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.290277778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.162037037,0,1.190972222,0,2.138888889,0,0,0,0,1.467592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.16666667,1.861111111,0.316319444,2.162037037,0.069444444,1.190972222,3.717506944,0.309027778,0.162037037,1.016203704,0.309027778,0.162037037,1.016203704,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.74073,0.79012,5.73058,0.98984,0.16497,2.19415,0.36569,2.80805,0.6139,0.10232,0.10595,0.01766,0.10595,0.01766,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.94471679,2.932999307,3.26633264,3.03467014,2.075522223,16.52932501,35.00490222,52.79398752,58.79398752,54.62406252,37.35940001,0.220218789,0.46636733,0.703369798,0.783307287,0.727751731,0.497736104,3.251629167,2.225208211,1.236925695,0.903592361,1.135254862,2.094402779,0.220218789,0.46636733,0.703369798,0.783307287,0.727751731,0.497736104,6.73287657,16.01742989,18.23479853,18.5707402,15.7907902,5.963359945,23.69925001,14.79422358,13.73834653,13.15338403,11.76340903,9.39649167,6,3.2,3,6,2,5,2.12,0.911,0.908560296,3.301927249,1.889881575,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,2.685,5,4,1,0,0,0,0,0,0,21,1.945910149,2.197224577,2.079441542,1.098612289,0,0,0,0,0,0,3.401197382,1.380952381,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.51E-16,4.19E-17,-21.5515951,3000004.229,500000.7049,8.948474554,0,109.6959078,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,84.09390038,4.671883355,10.6758508,1.779308466,0,0,0,31,4,2.836,20,1.207902002,2.088953167,3.007305918,3.81372954,4.47462431,3.374806794,0,0,0,0,72.21490952,75.08614034,88.4663755,46.22280297,11.07616831,3.42901969,0,0,0,0,273.1493236,322.0981469,421.9108628,374.5239027,188.3373737,104.9016319,0,0,0,0,8.781684225,14.81405178,21.28950672,26.74701851,30.29760614,22.67351795,0,0,0,0,2.07513056,2.646964274,3.599070125,3.669393101,2.383298417,1.500482652,0,0,0,0,173.4838637,327.3292047,473.0537098,616.3246751,808.7181602,624.0613484,0,0,0,0,2.886963058,3.904991597,5.645214026,6.549000547,5.063358374,3.374806794,0,0,0,0,0.430433924,0.557915895,0.763087212,0.794491238,0.539211337,0.345580216,0,0,0,0,282.4985564,99.43929498,8.115585254,60.53865406,-21.30956404,-3.647922159,221.9599023,120.748859,11.76350741,0.823521612,0.289879033,0.023658032,0.176478388,-0.06212027,-0.010634188,96.90751674,34.11137836,2.783947727,20.76701101,-7.309973405,-1.251373042,0.161583694,0.250377291,3.05982531,2.724413745,343.0372105,0,1,0,330.2331781,18.17231901,6.912050483,450.588666,21.22707389,7.666434351,503.2951607,22.43424081,7.954402902,1.259706559,1.237021,281.3794148,160.4530069,133.7580638,1.753656228,2.103644497,1.199576328,3.688906744,3.531235717,5.403298808,0.530143905,4.978962474,4.001838372,4.091070378,12.06407807,6.799877571,2.590547856,7.361123123,7.917010051,4.109279348,1.190454607,7.06E-16,1.16E-52,3.79E-111,2.38E-191,2.89E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.417855135,3.984422146,0.185044888,3.133993342,1.828095882,0.204407221,1.664371592,0.312771147,0.029476241,0.008384469,4.97E-18,8.20E-55,2.67E-113,1.68E-193,2.04E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.348874382,3.985586039,0.701649445,3.887720007,2.549454088,0.631709289,2.624985906,1.241374706,0.302970448,0.087372633,5.18E-17,8.55E-54,2.78E-112,1.75E-192,2.12E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.699734751,3.99992626,3.752644459,11.13917464,6.391682174,2.42332889,6.940835418,7.230880731,3.661661781,1.060673622,6.29E-16,1.04E-52,3.38E-111,2.12E-191,2.58E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.987989908,3.987094991,1.139627479,4.722565876,3.131786673,0.942782775,3.344459077,2.063986851,0.65677763,0.189785034,1.13E-16,1.86E-53,6.04E-112,3.80E-192,4.61E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.01281705,4.009878519,5.456859009,15.91800829,8.429128572,3.233688605,8.998483824,10.70791653,5.991255156,1.736166163,1.03E-15,1.70E-52,5.53E-111,3.48E-191,4.22E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.762498207,3.707413545,1.642220879,5.789959484,4.048992938,1.151696931,4.297242114,3.250833857,1.188378733,0.34369106,2.04E-16,3.36E-53,1.09E-111,6.88E-192,8.35E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.79926232,2.182700441,0.353667424,0.524635746,0.409080158,0.577178361,0.583715837,0.444308946,5.335630185,7.871909037,15.36842989,0.400573856,1.605203144,1.837443289,1.516694328,0.07624512,0.535637983,0.4421356,0.248276204,0.281178969,0.020649952,3.430382736,3.042576439,6.685442111,0.466660373,0.550105125,2.219402625,1.781254301,0.186428254,0.530059105,0.425416304,0.36255456,0.388382838,0.123457763,4.187085181,4.69915596,9.623251776,0.433213114,0.874395161,2.775447202,2.166215195,0.346799229,0.524811826,0.409611594,0.567386704,0.574917502,0.427219618,5.288461627,7.725980614,15.09947408,0.401635129,1.569523823,2.389681081,1.899156112,0.235541413,0.528178848,0.419760652,0.420434876,0.441659793,0.197074072,4.524378606,5.548576202,11.14193064,0.42190925,1.059168741,2.873821621,2.234310821,0.375169908,0.524104169,0.4074754,0.608374816,0.611691442,0.499978043,5.483302349,8.337428321,16.22970068,0.397369354,1.720044301,2.778902388,2.166696087,0.346575775,0.52509654,0.409415107,0.568756644,0.575122216,0.42666925,5.29217425,7.735061554,15.11398134,0.401767471,1.570548109 +UMLMON0144,L,3-methyl-2-pentene,CCC(=CC)C,12014, (trans) reported,UML,[1],C6H12,PubChem,,81,0,-1.0162,1.03266244,29.2337,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1168.347606,1180.540374,817.342347,254.505888,27.433728,0,0,3461.958223,4376.887272,5667.785137,6040.79007,5365.407829,3184.273894,839.2610996,0,0,160.279036,159.125208,296.687832,377.3094,377.238252,369.98208,181.398528,0,0,26.63610648,34.55010896,48.7938183,54.12917316,51.1099003,36.04986215,12.00454843,0,0,3846.242925,3210.7269,6654.719106,8873.73093,8857.330192,9413.241332,4992.776605,0,0,36.52777778,43.33333333,64.75,78,84,72,27,0,0,44.61329874,48.14991518,27.81780014,21.86185878,15.13596939,4.713072,1.016064,0,0,150.5199227,198.9494215,134.9472652,111.8664828,99.35940425,58.96803508,31.08374443,0,0,6.968653739,7.232964,7.063996,6.987211111,6.985893556,6.85152,6.718464,0,0,1.158091586,1.570459498,1.161757579,1.002392095,0.946479635,0.66759004,0.444612905,0,0,167.2279533,145.9421318,158.445693,164.3283506,164.0246332,174.3192839,184.917652,0,0,1.588164251,1.96969697,1.541666667,1.444444444,1.555555556,1.333333333,1,0,0,0.032527919,-0.006158607,-0.009219332,0.00512233,-0.015191929,-0.005005412,0.014188992,0,0,589.5388264,-58.58770946,-129.0760474,5.492597762,-357.7054292,-57.6722765,302.7794516,0,0,1096.272622,-108.9463475,-240.0224219,10.21372008,-665.1685202,-107.2440608,563.0313194,0,0,0.115486609,-0.01147693,-0.025285112,0.001075962,-0.070072038,-0.011297603,0.059312416,0,0,4.900848691,-0.487040864,-1.073011903,0.045660081,-2.973612774,-0.47943085,2.517011964,0,0,26.62148787,-2.645613702,-5.828617687,0.248026285,-16.15271178,-2.604275988,13.67244894,0,0,2.845410628,-1.09126234,-0.808286074,0.971644612,-0.289224953,-1.397920605,1.192344045,0,0,0.001414257,-2.80E-04,-2.20E-04,9.49E-05,-2.81E-04,-9.27E-05,5.26E-04,0,0,25.63212289,-2.663077703,-3.073239224,0.101714773,-6.624174616,-1.06800512,11.21405376,0,0,47.66402704,-4.952106706,-5.714819569,0.189142964,-12.31793556,-1.986001127,20.85301183,0,0,0.005021157,-5.22E-04,-6.02E-04,1.99E-05,-0.00129763,-2.09E-04,0.002196756,0,0,0.213080378,-0.022138221,-0.025547902,8.46E-04,-0.055066903,-0.008878349,0.093222665,0,0,1.157455995,-0.120255168,-0.138776612,0.004593079,-0.299124292,-0.048227333,0.506386998,0,0,0.123713506,-0.049602834,-0.019244907,0.017993419,-0.005356018,-0.025887419,0.044160891,0,0,-0.197939004,-0.15521073,0.067072627,-0.19892562,-0.065541693,0.371585993,0,0,-0.103896104,-0.119897959,0.003968254,-0.25843254,-0.041666667,0.4375,0,0,-0.103896104,-0.119897959,0.003968254,-0.25843254,-0.041666667,0.4375,0,0,-0.103896104,-0.119897959,0.003968254,-0.25843254,-0.041666667,0.4375,0,0,-0.103896104,-0.119897959,0.003968254,-0.25843254,-0.041666667,0.4375,0,0,-0.103896104,-0.119897959,0.003968254,-0.25843254,-0.041666667,0.4375,0,0,-0.400949221,-0.155560272,0.145444256,-0.043293718,-0.209252971,0.356960951,0,0,1.737280122,1.218871993,0.880446323,1.276185005,0.872761516,0,0,0,1.642857143,1.290816327,1.003968254,1.254960317,0.75297619,0,0,0,1.642857143,1.290816327,1.003968254,1.254960317,0.75297619,0,0,0,1.642857143,1.290816327,1.003968254,1.254960317,0.75297619,0,0,0,1.642857143,1.290816327,1.003968254,1.254960317,0.75297619,0,0,0,1.642857143,1.290816327,1.003968254,1.254960317,0.75297619,0,0,0,2.011035654,1.012490905,0.608517261,1.181239389,1.288624788,0,0,0,28.59389526,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,0,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,28.59389526,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,0,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,28.59389526,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,0,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,28.59389526,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,0,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,28.59389526,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,0,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,28.59389526,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,0,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,35.61550058,17.71548839,24.48262939,35.48369786,5.069099695,17.71548844,-0.18452381,0,0,0,3000009.507,428572.7867,10.43988821,0,11.89,12.11009426,-0.16903964,0.051391638,5.433519118,8.270753521,6,22,22,22,6,0,0,0,0,0,17.491312,3.526648257,2.902564078,2.902564078,2.181727047,1.598026915,1.598026915,0.902587011,0.083923071,1.926688276,1.563026335,1.563026335,1.084438741,0.769718516,0.769718516,0.348066086,0.083923071,3.553367324,2.950308951,2.950308951,2.250821456,1.695309721,1.695309721,1.031979376,0.270913902,1.867720858,1.473453684,1.473453684,0.969245257,0.630337185,0.630337185,0.186460336,0.270913902,3.67134812,3.155598408,3.155598408,2.542033557,2.090117344,2.090117344,1.537209272,0.943918427,1.694987868,1.195492746,1.195492746,0.597291919,0.162386152,0.162386152,0.373444117,0.943918427,3.573079272,2.985267979,2.985267979,2.301138919,1.765276817,1.765276817,1.123795185,0.399277246,1.83022888,1.415133181,1.415133181,0.893065587,0.536857124,0.536857124,0.076887173,0.399277246,3.729063388,3.252217518,3.252217518,2.67505104,2.26277616,2.26277616,1.749263129,1.207644823,1.641383456,1.104407163,1.104407163,0.470453387,0.004703131,0.004703131,0.581393754,1.207644823,3.546267417,3.09326525,3.09326525,2.410795178,1.863601082,1.863601082,1.223645829,0.591549296,1.84276286,1.296046237,1.296046237,0.75828437,0.407298968,0.407298968,0.054141623,0.591549296,0,0,0,0,0,3,3,1,0,0,0,0,0,0,0,0,0,0,0,0.204124145,0,0,0,0.204124145,0,0,0,0.612372436,0.612372436,0,0.612372436,0.612372436,0,5.698670613,3.346065215,2.090770275,1.732050808,0.866025404,0,0,0,0.814095802,0.557677536,0.348461713,0.288675135,0.288675135,0,0,0,5.698670613,3.346065215,2.090770275,1.732050808,0.866025404,0,0,0,0.814095802,0.557677536,0.348461713,0.288675135,0.288675135,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,36,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,6.784722222,0,4.0625,0,0,0,0.986111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.261574074,0,1.354166667,0,0,0,0.986111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.261574074,0,1.354166667,0,0,0,0.986111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.69047619,0.2,2.261574074,0.2,0.986111111,5.308222222,0.347222222,0.261574074,1.569444444,0.347222222,0.261574074,1.569444444,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.42857,0.14286,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.12629,1.01804,7.12629,0,0,3.34606,0.47801,3.34606,0,0,0.06794,0.00971,0.06794,0.00971,0,6,0,0,0,0,0,0,1,0.886540893,1.327484782,2.195349999,2.195349999,1.998673392,1.418701204,20.39044053,30.53214998,50.49304997,50.49304997,45.96948801,32.63012769,0.195982923,0.293460064,0.485314454,0.485314454,0.441836193,0.313624798,3.637021063,3.196077174,2.328211957,2.328211957,2.524888564,3.104860752,0.19880132,0.297680264,0.492293679,0.492293679,0.448190165,0.318134983,6.634953582,11.92628025,12.80093654,12.80093654,10.44081726,5.643054678,27.76507516,20.80617277,22.97686298,22.97686298,21.79680334,14.70080627,7,4.166666667,2.666666667,7,0,5,2.23,1.0949,0.75,4.326748711,1.5,0,1.5,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.039,6,6,3,0,0,0,0,0,0,28,1.945910149,1.945910149,1.945910149,1.386294361,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,6,1,0,2,4,1,1.5,0.666666667,0.375,0,0,0,0,0,0,0,0.25,0.111111111,0.0625,0,0,0,0,0,0,0,0.423611111,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,0,129.6283511,3.807354922,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,66.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921535632,100.1252005,4.353269587,12.6691974,1.809885343,0,0,0,48,6,4.262,24,1.224818182,2.11142556,2.865572383,3.520945155,4.034074112,4.579342432,0,0,0,0,69.72220731,66.73106956,69.18941076,57.19042614,19.88702573,4.652904989,0,0,0,0,268.787596,308.3215324,340.4487016,363.1196725,244.474562,142.3431098,0,0,0,0,8.893455721,14.97034384,20.0722716,24.6357118,27.67100006,30.76614727,0,0,0,0,2.059771149,2.597411395,2.997464361,3.420107467,2.745829823,2.036034741,0,0,0,0,176.6115071,330.5407757,467.2340714,574.6063808,700.7109652,846.8012503,0,0,0,0,2.471818182,3.349874301,4.242267585,5.580003698,5.457580927,4.579342432,0,0,0,0,0.427911136,0.549535126,0.639947731,0.737202911,0.608963727,0.468924665,0,0,0,0,361.4521467,142.6199576,8.823504747,146.8652023,-57.9493278,-8.551359987,214.5869444,200.5692854,17.37486473,0.711075763,0.280572674,0.01735826,0.288924237,-0.114002262,-0.016822877,183.732397,72.49619877,4.485140542,74.6541303,-29.45664868,-4.346804639,0.075673485,0.164556389,1.431314881,9.687743225,508.317349,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,634.4662802,25.1886141,8.59282925,1.609580039,1.20582466,359.6637963,291.4446471,124.2057763,1.234072404,2.895709097,2.346466129,3.842500793,3.220194404,6.42424645,0.994987148,4.462409009,6.050239669,3.745527965,21.15551917,8.458952726,6.744687705,7.963091409,12.66956978,3.321162046,5.62089371,0.856845983,1.126710554,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499054,5.693382889,0.250801218,7.4350724,1.065799878,1.087411198,0.556749033,0.551587494,1.011114361,0.076758213,0.006035905,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928606,5.717232891,0.851481918,9.183071752,1.593348129,1.832914221,1.659001124,2.117151437,1.262628851,0.508038198,0.062890392,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212150083,6.01106138,3.491725256,19.94317538,7.659108672,6.253567929,7.364798649,11.60650425,3.101908389,5.033708709,0.76343508,1.003878819,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738341,5.748151931,1.29728371,10.69556803,2.246936531,2.466198734,2.537263617,3.461458454,1.500612817,1.012060537,0.136603707,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389005176,6.214978167,4.73050097,26.067101,11.81468079,8.727476087,10.34280259,16.97033426,4.22133453,8.076307643,1.249625854,1.643201452,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.765215222,5.104273184,2.04191382,12.62191218,3.718014688,3.594519367,4.187284102,5.845944666,2.413945623,2.136106338,0.299841466,0.394270466,2.81E-15,3.86E-51,1.02E-108,5.23E-188,5.15E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.386729296,1.428111147,0.703893705,0.613678645,0.25877513,0.499942131,0.471706179,0.452641149,5.518734148,8.22576174,17.14896639,0.420517968,1.424289459,2.632081025,0.962227954,0.279539302,0.67944866,0.248390717,0.30215781,0.215239139,0.071548406,3.87384828,3.53741256,8.11923939,0.519172991,0.588945355,2.944634488,1.155154754,0.455369274,0.646439521,0.253592658,0.378064502,0.309495361,0.189721175,4.555158517,5.26842658,11.37252757,0.469659281,0.877281038,3.369289434,1.417341939,0.694093551,0.614752516,0.25860483,0.494812127,0.464666785,0.440154389,5.480724924,8.097805186,16.8931289,0.422128773,1.399633301,3.078342327,1.237699468,0.530554605,0.635155493,0.255374982,0.413131834,0.354987253,0.257438498,4.8465964,6.099958509,12.9680012,0.45273324,1.025557586,3.440950459,1.461593827,0.734360897,0.610432559,0.259290121,0.516060529,0.493927718,0.492568516,5.636905183,8.629508771,17.95971462,0.415648839,1.502556763,3.382773534,1.419338542,0.694933673,0.615380277,0.258200242,0.498773581,0.465753811,0.44106958,5.497045749,8.13845024,16.97208163,0.423070415,1.405596973 +UMLMON0145,L,3-Ethylpentane,CCC(CC)CC,12048,,"Sandia, UML",[1],C7H16,PubChem,,69.3,0,-0.7606,0.57851236,33.6855,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1362.056143,1377.297103,1135.165085,638.87477,178.815168,18.289152,0,3947.642614,5029.877407,6581.332248,7047.588415,6597.333588,4918.116884,2402.602963,559.5073998,0,181.25648,180.900988,339.41734,440.1943,440.146868,435.285704,307.120896,120.932352,0,30.31423229,39.56609758,56.48150844,63.15070202,61.13785345,50.09140373,28.03475758,8.003032287,0,4342.872585,3643.766351,7578.921305,10352.68609,10341.75226,10706.89277,7939.753089,3328.517736,0,40.77777778,48.58333333,74.08333333,89.83333333,94,89,57,18,0,45.09238923,49.11105724,28.37616965,21.86185878,18.01849341,10.14086937,3.9736704,1.016064,0,151.8324082,201.1950963,137.1110885,111.8664828,104.7195808,78.06534737,53.39117695,31.08374443,0,6.971403077,7.23603952,7.071194583,6.987211111,6.986458222,6.909296889,6.8249088,6.718464,0,1.165932011,1.582643903,1.176698093,1.002392095,0.970442118,0.795101647,0.622994613,0.444612905,0,167.033561,145.7506541,157.8941939,164.3283506,164.1547978,169.9506789,176.4389575,184.917652,0,1.568376068,1.943333333,1.543402778,1.425925926,1.492063492,1.412698413,1.266666667,1,0,0.036732028,-0.006133106,-0.011606024,0.003532533,-0.008054322,-0.006857549,0.001295911,0.009456543,0,670.5194345,-58.02572029,-166.9134917,5.01456842,-237.1174496,-153.3025203,68.77122405,206.3136721,0,1246.859521,-107.9013047,-310.3827653,9.324804107,-440.9300228,-285.0725827,127.8830278,383.6490833,0,0.131350154,-0.01136684,-0.032697207,9.82E-04,-0.04644968,-0.030030911,0.013471811,0.040415432,0,5.574042193,-0.482369036,-1.387555375,0.041686213,-1.971162357,-1.274407083,0.571696635,1.715089906,0,30.27828566,-2.620236259,-7.537222819,0.226440171,-10.70738521,-6.922599499,3.105465196,9.316395587,0,3.017094017,-1.074128863,-0.820019724,0.561143984,-0.09270217,-0.272189349,-0.568047337,0.75739645,0,0.00141277,-2.45E-04,-2.42E-04,5.61E-05,-1.28E-04,-1.09E-04,2.88E-05,5.25E-04,0,25.78920902,-2.321028812,-3.47736441,0.079596324,-3.763769041,-2.433373338,1.528249423,11.46187067,0,47.95613541,-4.316052187,-6.46630761,0.148012764,-6.99888925,-4.52496163,2.841845061,21.31383796,0,0.005051929,-4.55E-04,-6.81E-04,1.56E-05,-7.37E-04,-4.77E-04,2.99E-04,0.002245302,0,0.214386238,-0.019294761,-0.028907404,6.62E-04,-0.031288291,-0.020228684,0.01270437,0.095282773,0,1.164549448,-0.10480945,-0.157025475,0.003594288,-0.169958495,-0.109882532,0.069010338,0.517577533,0,0.116042078,-0.042965155,-0.017083744,0.008907047,-0.001471463,-0.004320466,-0.012623274,0.042077581,0,-0.17364765,-0.171147549,0.039689364,-0.090493398,-0.077047187,0.020384086,0.371867595,0,-0.09,-0.134837963,0.00308642,-0.145943563,-0.094356261,0.059259259,0.444444444,0,-0.09,-0.134837963,0.00308642,-0.145943563,-0.094356261,0.059259259,0.444444444,0,-0.09,-0.134837963,0.00308642,-0.145943563,-0.094356261,0.059259259,0.444444444,0,-0.09,-0.134837963,0.00308642,-0.145943563,-0.094356261,0.059259259,0.444444444,0,-0.09,-0.134837963,0.00308642,-0.145943563,-0.094356261,0.059259259,0.444444444,0,-0.370254958,-0.147220255,0.076757048,-0.012680426,-0.03723189,-0.10878187,0.362606232,0,1.709748436,1.255238973,0.90320431,1.119944994,0.997706218,0.704242671,1.55E-08,0,1.625,1.316550926,1.00308642,1.14638448,0.93143739,0.601851852,0,0,1.625,1.316550926,1.00308642,1.14638448,0.93143739,0.601851852,0,0,1.625,1.316550926,1.00308642,1.14638448,0.93143739,0.601851852,0,0,1.625,1.316550926,1.00308642,1.14638448,0.93143739,0.601851852,0,0,1.625,1.316550926,1.00308642,1.14638448,0.93143739,0.601851852,0,0,1.979461756,1.021379249,0.67954944,1.008363685,1.117968434,1.104815864,0,0,37.55753691,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,37.55753691,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,37.55753691,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,37.55753691,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,37.55753691,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,37.55753691,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,45.91670503,22.86113029,33.35540026,45.77087169,5.721358962,22.86113029,-0.194444444,0.063377393,0.007922174,-2.206918446,27.90719191,3.488398989,2.663107544,0,11.89,12.11011416,-0.16903635,0.051416454,5.284176972,8.585129026,7,25,25,25,7,0,0,0,0,0,19.677726,3.547496606,3.095644743,2.902564078,2.430937305,1.936914777,1.598026915,1.378730131,0.895675055,1.939176041,1.670850977,1.563026335,1.239218042,0.942339425,0.769718516,0.643713924,0.346561785,3.573655674,3.136118768,2.950308951,2.491173128,2.015901025,1.695309721,1.486286383,1.025969325,1.881379222,1.590692337,1.473453684,1.133410318,0.817121444,0.630337185,0.496330364,0.184687206,3.689121125,3.311859847,3.155598408,2.747786254,2.345176837,2.090117344,1.917833899,1.533715745,1.712255118,1.346383519,1.195492746,0.797039565,0.406950703,0.162386152,0.00402419,0.376621571,3.592951089,3.165839402,2.985267979,2.53518086,2.073229048,1.765276817,1.563349475,1.118352427,1.844651038,1.5388752,1.415133181,1.063846602,0.733870512,0.536857124,0.397092637,0.074902837,3.745604252,3.395699434,3.252217518,2.866666098,2.493496762,2.26277616,2.104113247,1.746471688,1.659798258,1.26774713,1.104407163,0.684260419,0.264817635,0.004703131,0.185082511,0.58535839,3.566820943,3.242546399,3.106652036,2.647839166,2.176543578,1.874277641,1.665974741,1.228785683,1.855814227,1.450407129,1.283767308,0.927801169,0.598845771,0.397162369,0.26153494,0.065892726,0,0,0,0,0,3,4,1,0,0,0,0,0,0,0,0,0,0,0,0.204124145,0,0,0,0.204124145,0,0,0,0.552585858,0.637136847,0.288675135,0.552585858,0.637136847,0.288675135,6.405777394,3.846065215,2.471197119,1.851623963,1.105171716,0.40824829,0,0,0.800722174,0.549437888,0.35302816,0.264517709,0.221034343,0.204124145,0,0,6.405777394,3.846065215,2.471197119,1.851623963,1.105171716,0.40824829,0,0,0.800722174,0.549437888,0.35302816,0.264517709,0.221034343,0.204124145,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,6.82537037,0,5.507962963,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.262222222,0,1.353518519,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.281574074,0,1.423611111,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.666666667,0.2,2.281574074,0.2,1,6.028398148,0.333333333,0.281574074,1.650740741,0.333333333,0.281574074,1.650740741,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.375,0.125,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.55678,1.0696,8.55678,0,0,3.84606,0.48076,3.84606,0,0,0.06794,0.00849,0.06794,0.00849,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.420277698,2.88181616,2.950063756,2.694448682,23.15278265,34.39789514,62.92722016,74.92722016,76.70165767,70.05566573,0.189448582,0.281462171,0.514904529,0.613095015,0.627614422,0.573233324,3.809948078,3.377443751,2.28016202,1.818623558,1.750375962,2.005991036,0.191756937,0.284891675,0.521178434,0.620565332,0.635261652,0.580217942,6.648700044,11.83875197,15.48127572,15.94642574,16.01520737,12.94782648,31.72521615,24.13720728,22.27517352,20.88988165,20.81657342,16.67704054,8,5.142857143,3.673469388,8,0,6,2.34,1.2358,0.646330407,4.947300964,1.310370697,0,2.941682753,3.363585661,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.538,7,7,5,2,0,0,0,0,0,36,2.079441542,2.079441542,2.079441542,1.791759469,1.098612289,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,7,1,0,3,5,0.666666667,1.5,0.666666667,0.375,0.16,0,0,0,0,0,0,0.214285714,0.095238095,0.053571429,0.032,0,0,0,0,0,0,0.395095238,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,0,146.9243357,4,3.36729583,4.043051268,4.744932128,5.442417711,6.150602768,6.853299093,7.562681247,8.266935348,8.976514972,70.40773036,2.708050201,0,3.761200116,0,5.030437921,0,6.388561406,0,7.78113851,8.072467369,114.1408506,4.390032714,14.6658707,1.833233838,0,0,0,72,7,4.831,28,1.2278,2.11761443,2.867314105,3.535642274,4.192595966,4.989712438,6.628040739,0,0,0,71.2221278,68.08752346,70.35652891,72.14687259,51.18786586,23.56276632,6.734513586,0,0,0,272.5498825,313.605011,342.9384914,396.4365536,356.139448,294.5796762,206.0243244,0,0,0,8.919363223,15.02844115,20.08589362,24.7693506,29.04969728,34.18876624,44.5302531,0,0,0,2.081648384,2.634998592,3.010384415,3.597294944,3.522001361,3.333850224,2.946912447,0,0,0,176.77647,330.4239685,467.4711205,575.3980714,706.4092069,869.6715378,1225.641731,0,0,0,2.44583,3.360560698,4.185516642,5.403274775,6.098159913,6.657087708,6.628040739,0,0,0,0.4321989,0.557170835,0.642420151,0.771244323,0.76623773,0.740377391,0.678711372,0,0,0,390.9629591,174.901069,9.558501541,142.6825317,-63.83041344,-8.6679191,248.2804274,238.7314825,18.22642064,0.732626745,0.327747675,0.017911707,0.267373255,-0.119612017,-0.016242841,208.6356201,93.3351668,5.100851245,76.14188963,-34.06281231,-4.625595942,0.066759773,0.145652099,1.067771895,9.481763523,533.6454907,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,751.7055593,27.4172493,9.092484877,1.904241203,1.764330984,566.7375967,500.5117965,130.0229439,1.132316163,4.358750693,3.849411354,4.280903147,4.466158665,7.63628977,0.709811572,5.020210116,7.00510621,3.819058189,24.39434377,11.60890815,7.000494064,7.439062474,12.56563857,7.960317526,8.611440563,3.184614974,3.468104755,1.562544689,1.26780722,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311436,6.64190281,0.271348935,8.433148863,1.088135161,1.095008842,0.543307196,0.60095221,2.181247442,1.052197725,0.024886957,0.055740232,0.128005111,0.00892927,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.36004468,6.666176984,0.908339148,10.32903466,1.82492213,1.866554753,1.496222597,2.198018757,3.006691664,1.871159596,0.239386728,0.322456327,0.415277519,0.093049877,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668827,6.965231145,3.571031093,22.93533284,10.46576545,6.48546875,6.856067306,11.534172,7.481227302,7.8925275,2.838893341,3.107146077,1.472760611,1.129593408,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.00445563,6.697645914,1.371496392,12.03494671,2.749577362,2.525027614,2.285365706,3.545306614,3.678498752,2.648333933,0.51444898,0.633171096,0.614128249,0.202116767,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630795,7.172774538,4.772406117,30.34354084,16.40810584,9.081683872,9.780255152,16.72418371,9.876441377,11.56408163,4.637575143,4.97722063,1.897203098,1.84897768,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.145998298,6.021717001,2.174037903,14.52353689,4.826291347,3.692001165,3.73535275,5.590217255,5.217628734,4.781418987,1.156516672,1.367605751,1.110382886,0.456410599,1.29E-06,2.88E-33,1.23E-81,1.02E-151,1.63E-243,0,0,0,0,0,0,0,0,0,0,0,5.018402834,1.331081255,0.709546992,0.710919498,0.1885643,0.506886086,0.456144373,0.446321135,7.059031082,11.18515928,22.9838947,0.566379247,1.409351594,4.10575412,0.860326028,0.279985731,0.782634876,0.163994515,0.339297254,0.190864238,0.069477413,5.246065878,4.92271871,11.15777458,0.673952315,0.599638905,4.481876686,1.054350644,0.457069804,0.747814865,0.175921637,0.404297863,0.286467214,0.18518964,5.993297134,7.255911909,15.40907849,0.621722297,0.875954717,4.997136788,1.320113305,0.699542261,0.712168258,0.188136293,0.502598996,0.448674738,0.433823672,7.016792354,11.01597017,22.64749365,0.568252387,1.385097406,4.643583729,1.137760454,0.533180387,0.73538137,0.180181491,0.433996074,0.333488603,0.252010756,6.314524571,8.365785263,17.49725427,0.603072055,1.019495433,5.084573034,1.36520818,0.740675849,0.707127932,0.189863894,0.520342171,0.479779087,0.486340142,7.190457063,11.71869787,24.05055686,0.560691898,1.486461401,5.017897722,1.322663581,0.700544934,0.712657579,0.187848832,0.506781165,0.450218965,0.435108598,7.041106236,11.07883867,22.76945502,0.568986368,1.392108728 +UMLMON0146,L,3-Ethylhexane,CCCC(CC)CC,12096,,"Sandia, UML",[1],C8H18,PubChem,,52.4,0,1.9611,3.84591321,44.3682,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1811.945363,1609.182801,1025.099549,530.755682,135.295776,12.192768,0,4184.657049,5188.491512,6941.531225,6928.73748,5275.351979,3400.034448,1582.538586,373.0049332,0,148.486212,153.276228,258.0923,299.553156,295.86578,230.937608,165.234816,80.621568,0,30.43545486,38.46263172,53.83398791,56.49561099,46.4495312,32.07049675,17.36002377,5.335354858,0,3360.161029,2978.619777,5445.36734,6448.554114,6712.842402,5381.928943,4120.072605,2219.011824,0,43.80555556,53.16666667,77.27777778,86.83333333,75.5,55,34,12,0,62.40808843,68.74581643,50.33181564,38.31387621,24.40713212,16.08350552,5.637324,1.016064,0,199.2693833,247.0710244,192.8203118,164.96994,125.6036186,103.0313469,65.93910774,31.08374443,0,7.070772,7.298868,7.169230556,7.132218,7.044423333,6.998109333,6.884784,6.718464,0,1.449307374,1.831553891,1.495388553,1.345133595,1.105941219,0.971833235,0.723334324,0.444612905,0,160.0076681,141.839037,151.2602039,153.5370027,159.829581,163.0887558,171.6696919,184.917652,0,2.085978836,2.531746032,2.146604938,2.067460317,1.797619048,1.666666667,1.416666667,1,0,0.04601962,-3.58E-04,-0.005868395,-0.020339902,-0.007399644,-0.001911997,0.002718902,0.010149633,0,622.6251891,4.05E-13,56.82690218,-207.5417297,-224.8368739,-217.4246692,14.82440927,266.8393668,0,1157.798126,-5.68E-14,105.6720512,-385.9327088,-418.0937678,-404.3104568,27.56662205,496.199197,0,0.121968,1.87E-15,0.011132,-0.040656,-0.044044,-0.042592,0.002904,0.052272,0,5.175896322,1.00E-14,0.472403236,-1.725298774,-1.869073672,-1.807455859,0.123235627,2.218241281,0,28.11555097,4.40E-14,2.566101874,-9.371850323,-10.15283785,-9.81812891,0.66941788,12.04952184,0,4.216931217,-0.60978836,1.206160242,-1.497354497,-1.617724868,-0.86866969,-0.390778534,1.669690098,0,0.00219141,-1.71E-05,-1.63E-04,-4.84E-04,-1.76E-04,-5.79E-05,1.13E-04,8.46E-04,0,29.64881853,1.93E-14,1.578525061,-4.941469755,-5.353258901,-6.58862634,0.617683719,22.2366139,0,55.13324411,-2.71E-15,2.935334756,-9.188874018,-9.954613519,-12.25183202,1.148609252,41.34993308,0,0.005808,8.91E-17,3.09E-04,-9.68E-04,-0.001048667,-0.001290667,1.21E-04,0.004356,0,0.246471253,4.78E-16,0.013122312,-0.041078542,-0.044501754,-0.05477139,0.005134818,0.18485344,0,1.33883576,2.09E-15,0.071280608,-0.223139293,-0.241734235,-0.297519058,0.027892412,1.00412682,0,0.200806248,-0.029037541,0.033504451,-0.035651298,-0.038517259,-0.026323324,-0.016282439,0.139140842,0,-0.007788141,-0.074386328,-0.22099164,-0.080396618,-0.02643927,0.051696198,0.385962731,0,6.50E-16,0.053240741,-0.166666667,-0.180555556,-0.222222222,0.020833333,0.75,0,-4.91E-17,0.053240741,-0.166666667,-0.180555556,-0.222222222,0.020833333,0.75,0,1.53E-14,0.053240741,-0.166666667,-0.180555556,-0.222222222,0.020833333,0.75,0,1.94E-15,0.053240741,-0.166666667,-0.180555556,-0.222222222,0.020833333,0.75,0,1.56E-15,0.053240741,-0.166666667,-0.180555556,-0.222222222,0.020833333,0.75,0,-0.144604768,0.166849645,-0.177540778,-0.191813049,-0.131088172,-0.08108532,0.692910916,0,1.060870967,1.010933383,1.24386906,1.163921443,0.956712779,0.733849505,0.084749746,0,1.111111111,0.972222222,1.157407407,1.111111111,1.11952862,0.810185185,0,0,1.111111111,0.972222222,1.157407407,1.111111111,1.11952862,0.810185185,0,0,1.111111111,0.972222222,1.157407407,1.111111111,1.11952862,0.810185185,0,0,1.111111111,0.972222222,1.157407407,1.111111111,1.11952862,0.810185185,0,0,1.111111111,0.972222222,1.157407407,1.111111111,1.11952862,0.810185185,0,0,1.279799247,0.763017566,1.204516939,1.127666248,1.029998859,0.988080301,0,0,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,36.0445205,17.8821372,26.44963274,35.98759321,3.998621467,17.88213728,-0.102469136,0.342844979,0.038093887,-0.963429201,92.35480443,10.26164494,4.073073957,0,11.89,12.11013444,-0.155069761,0.065305538,5.526181955,8.44400789,9,21,18,15,3,3,0,0,0,6,13.118484,3.811285705,3.122192905,2.817988544,2.468695058,2.072430701,1.606108825,0.85823382,0.431113469,1.999248879,1.626172431,1.376660503,1.035030141,0.841567723,0.699412517,0.27320129,0.083923071,3.822315902,3.153465597,2.850918831,2.506318825,2.131695888,1.696155547,0.975778978,0.537848538,1.967623911,1.55023931,1.290717475,0.949607411,0.739807893,0.570594071,0.109579262,0.270913902,3.873057964,3.298046656,3.007379085,2.671558514,2.377566354,2.065162602,1.459663611,0.963169409,1.883696799,1.327955732,1.040485206,0.704660144,0.423834148,0.133013822,0.452074688,0.943918427,3.830551211,3.176937509,2.875860457,2.5340056,2.174588336,1.761195241,1.06113048,0.61483492,1.94837221,1.501799577,1.235856452,0.89581381,0.673822429,0.483694096,0.001108919,0.399277246,3.8993543,3.371419543,3.088935136,2.75248408,2.488997533,2.227257367,1.669945758,1.207644823,1.859817245,1.260502019,0.966140406,0.629643658,0.317553779,0.023797965,0.65654804,1.136002642,3.838881493,3.168751813,2.937162405,2.590658693,2.252841084,1.800435742,1.171115561,0.660313009,1.939430029,1.480848296,1.15240141,0.825365771,0.591649195,0.409096936,0.125147872,0.534653465,0,0,0,4,2,2,1,0,0,0,0,0,0.083333333,0.142258898,0,0,0,0.027777778,0.047419633,0.49279928,0,0,0,0.284517797,0,0,0,0.837103655,1.146659525,1.24013326,0.424376455,0.503923769,0.482896135,6.690234444,4.325698503,3.54605133,2.62234839,1.930516643,1.331224291,0.534517797,0.201184464,0.743359383,0.480633167,0.322368303,0.218529033,0.14850128,0.102401869,0.076359685,0.067061488,6.016507858,3.382027377,2.342606274,1.490732573,0.932061801,0.559962113,0.196901338,0.073304401,0.668500873,0.37578082,0.212964207,0.124227714,0.071697062,0.043074009,0.028128763,0.0244348,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,2.27702,39.46,36.7912283,50.73939382,73.58245661,8.175828512,36.7912283,0.054065423,0.006007269,-2.625804381,39.92247553,4.435830615,3.318245516,71,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,4,0,0,0,0,0,0,0,0,2,0,1,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.39324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.589444444,0,0.645277778,0,0,1.589444444,0,0,0,0,0,0,0,0,4.299537037,0,1.140555556,0,0,8.611435185,0,0,0,0,2.781805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.35587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.378819444,0,0.285972222,0,0,0.378819444,0,0,0,0,0,0,0,0,2.124166667,0,1.140555556,0,0,2.105324074,0,0,0,0,1.35587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.222222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40875,0,0.359305556,0,0,0.40875,0,0,0,0,0,0,0,0,2.17537037,0,1.140555556,0,0,2.222222222,0,0,0,0,1.425925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.83333333,1.87037037,0.40875,2.222222222,0.144097222,1.140555556,5.538328009,0.359444444,0.222222222,1.821944444,0.359444444,0.222222222,1.821944444,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.22222,0.22222,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.37176,0.59686,9.9286,4.55684,0.50632,2.3029,0.25588,4.32569,2.02278,0.22475,0.08831,0.00981,0.17431,0.01937,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.392317423,3.368042423,3.653756708,3.517816091,3.613054186,20.68979086,50.23866588,70.72889087,76.72889087,73.8741379,75.8741379,0.224307135,0.544659503,0.766803056,0.831851698,0.800902064,0.822584945,3.407089287,2,1.024275,0.738560714,0.874501332,0.779263237,0.214882485,0.521774698,0.734584508,0.79690002,0.767250788,0.788022625,6.75154531,17.86857762,23.03943292,23.32738293,23.19037858,24.33323572,33.82580122,24.64405706,17.536747,16.77850061,17.16610224,15.79906372,7.111111111,3.239669421,2,2,6,2,2.45,1.1391,0.2,3.516759154,1.807204007,0,4.941453946,6.26120069,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.395,11,12,13,13,7,3,0,0,0,77,2.564949357,3.068052935,3.504054767,3.944006051,4.328263187,3.840795496,3.056356895,0,0,0,5.583496309,3.441558442,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,3,0.333333333,0,3,5,0.666666667,2,0.666666667,0.5,0.342222222,0.0625,0,0,0,0,0,0.222222222,0.060606061,0.055555556,0.068444444,0.03125,0,0,0,0,0,0.438078283,20.13973017,29.36341876,40.27946033,4.475495593,20.13973017,0.079991382,0.008887931,-2.273252741,47.43521114,5.270579016,3.473428324,0,133.0544855,4.169925001,3.713572067,4.465908119,5.262690189,6.033086222,6.834108739,7.608374474,8.409830673,9.185125123,9.986495092,79.4991907,2.944438979,0,4.143134726,0,5.556828062,0,7.062191632,0,8.606851063,8.851090688,120.0939004,5.718757161,17.54944621,1.949938468,0,0,0,88,9,3.33,40,1.233966845,2.155024606,3.006602061,3.803575253,4.732338347,5.627310793,5.90603021,0,0,0,94.26734244,118.9857577,123.2933378,103.9474775,80.49995019,31.0266226,6.000904679,0,0,0,326.927337,443.7910469,519.2072207,512.2762041,506.2240303,365.8076947,183.5815336,0,0,0,9.036759105,15.50670926,21.49665094,26.88352142,33.18433047,38.71775749,39.67945135,0,0,0,2.379713299,3.389629213,4.186165788,4.425811404,4.731469263,4.028428089,2.625897248,0,0,0,173.1445827,321.9880536,457.8151978,601.3196506,766.6160736,968.0349704,1092.129239,0,0,0,3.215736753,4.804779339,6.364171796,7.065236819,8.049029972,7.909238475,5.90603021,0,0,0,0.489733493,0.704622443,0.878528449,0.940413619,1.018243483,0.890229874,0.604777493,0,0,0,273.3621505,126.6593352,10.3082173,97.67951143,-45.2587235,-5.035003642,175.682639,171.9180587,15.34322095,0.73674247,0.341361492,0.027781833,0.26325753,-0.121977471,-0.013569915,101.4287466,46.99589024,3.82477808,36.24316825,-16.79287198,-1.868196119,0.134438829,0.132225353,1.778489238,1.268284253,371.0416619,0,1,0,666.9778556,25.82591442,8.737163679,784.0715378,28.00127743,9.221153035,1121.219548,33.48461658,10.38875618,1.580629161,1.357998571,534.1249022,391.5036196,181.5358324,1.364291096,2.942256055,2.156618968,4.193560552,4.001863032,7.138102735,0.783694914,3.673559607,3.820518392,3.862882887,8.972241623,4.024349708,5.514497767,5.89076772,4.441774876,6.001203548,5.287974103,3.262359994,2.512684418,0.14850832,2.05E-06,5.47E-33,2.81E-81,2.78E-151,5.32E-243,0,0,0,0,0,0,0,0,0,0,0,0,0.30840601,3.820354267,0.296883239,4.738655281,0.964935454,1.295409127,0.493010609,0.874350095,0.825867472,0.347228098,0.091285455,0.017890989,0.001045956,1.44E-08,3.85E-35,1.98E-83,1.96E-153,3.75E-245,0,0,0,0,0,0,0,0,0,0,0,0,0.995305602,3.82036561,0.975724002,5.261440042,1.266618686,1.819692579,1.46562783,1.496204909,1.661726367,1.180477549,0.414936222,0.184915109,0.01089967,1.51E-07,4.01E-34,2.06E-82,2.04E-152,3.91E-244,0,0,0,0,0,0,0,0,0,0,0,0,3.467547315,3.820500505,3.627220631,8.592295399,3.722855627,5.137016168,5.514621264,4.185762722,5.606354308,4.923503233,2.953738395,2.238890124,0.132318239,1.83E-06,4.87E-33,2.50E-81,2.48E-151,4.74E-243,0,0,0,0,0,0,0,0,0,0,0,0,1.466840637,3.820379977,1.456292584,5.721678319,1.569563276,2.279635993,2.171655301,1.954661106,2.300999453,1.804516132,0.733205709,0.401183066,0.023675541,3.27E-07,8.71E-34,4.48E-82,4.44E-152,8.49E-244,0,0,0,0,0,0,0,0,0,0,0,0,4.436330396,3.820593517,4.75513867,10.51613572,5.270310901,7.047475801,7.335357244,5.432383889,7.55173713,6.707844232,4.535042443,3.663881474,0.216585427,2.99E-06,7.97E-33,4.10E-81,4.06E-151,7.77E-243,0,0,0,0,0,0,0,0,0,0,0,0,2.020537851,3.329195805,1.903437708,6.277355803,2.125103568,2.995191084,2.890802357,2.522860417,2.922713617,2.655470146,1.186350406,0.71898285,0.042451746,5.86E-07,1.56E-33,8.03E-82,7.96E-152,1.52E-243,0,0,0,0,0,0,0,0,0,0,0,0,4.600745398,2.14214627,0.425526081,0.641807657,0.298831115,0.599068656,0.456810161,0.322663013,7.168417749,12.72474586,24.08692296,0.462711485,1.37854183,3.121693706,1.385814711,0.163683872,0.668286277,0.296672589,0.278005386,0.191005115,0.047525802,4.67119229,5.063895494,10.44319879,0.502429416,0.516536304,3.637194514,1.652390951,0.255372643,0.655946257,0.297998816,0.375830319,0.272329934,0.115951367,5.544958109,7.360882725,14.44064761,0.483919385,0.76411162,4.555958106,2.119555077,0.417641918,0.642303466,0.298816965,0.58752452,0.44730985,0.310795719,7.093155101,12.44457826,23.57073604,0.463455199,1.345630089,3.894907513,1.784269202,0.301009507,0.651302045,0.298363485,0.430378631,0.317562076,0.161224383,5.980186222,8.659049702,16.73112061,0.476953067,0.90916509,4.744293368,2.214464607,0.450782977,0.640295181,0.29886664,0.6368365,0.487864128,0.36217723,7.409540952,13.64295938,25.78845773,0.460442772,1.486877858,4.554889737,2.123182148,0.417059345,0.641973994,0.299244944,0.587233755,0.448868357,0.310018183,7.09513123,12.45601286,23.58446687,0.462960992,1.346120294 +UMLMON0147,L,m-ethyltoluene,CCC1=CC=CC(=C1)C,12100,Sandia values from independent api report ,Sandia,,C9H12,PubChem,,100,0,-0.1907,0.03636649,25.3479,17.07193,0,0,17,7,10,0,5,0,2,0,0,0,0,0,0,0,1243.417247,1130.35521,1262.775798,1060.759697,744.434131,307.657897,78.738912,9.144576,0,2861.203507,3326.105375,3849.214114,3541.48044,2707.466718,1675.784234,874.9221648,279.7536999,0,131.590652,123.89952,216.4962,221.428316,191.1583,140.266468,83.016576,60.466176,0,19.67703705,23.5201631,29.09877861,27.31646409,20.78698781,14.2329069,9.348943289,4.001516144,0,2854.050872,2371.638531,4591.763082,4834.757802,4064.257244,3113.018667,2028.241198,1664.258868,0,86.52777778,50.25,85.41666667,83.91666667,85.5,50,18,9,0,73.142191,70.64720063,45.09913564,36.57792059,31.01808879,17.09210539,6.561576,1.016064,0,168.3060886,207.8815859,137.4719326,122.1200152,112.8111132,93.09912411,72.9101804,31.08374443,0,7.740626588,7.74372,7.732007143,7.635459172,7.964929167,7.792581556,6.918048,6.718464,0,1.157472768,1.470010194,1.039242093,0.941947038,0.866124492,0.79071705,0.779078607,0.444612905,0,167.8853454,148.2274082,163.9915386,166.7157863,169.3440518,172.9454815,169.0200999,184.917652,0,5.089869281,3.140625,3.050595238,2.893678161,3.5625,2.777777778,1.5,1,0,0.264469009,-0.154357089,0.034969424,0.017611981,-0.006290658,-0.036568843,0.001354781,0.011045898,0,629.8202065,-12.09745997,47.85605381,2.030288727,-283.8122875,-263.7712904,-30.09952586,224.9841179,0,780.5766247,-146.4197851,-39.17543734,-15.89410581,-217.2244316,-109.9554831,-132.6540497,271.0349803,0,1.881607059,-0.015005232,0.573891903,-0.332707571,-0.895370436,-0.722895945,0.190463253,0.260820498,0,3.424768994,-1.080059213,-0.205188776,-0.373622822,-0.523457603,0.311015424,-0.711379077,0.870307568,0,19.34959846,-6.628413839,-0.891443659,-2.729791524,-2.460118467,2.785370734,-3.978143926,4.227741453,0,36.4869281,-0.446847366,8.849961553,-4.861687812,-16.28056517,-11.96655133,1.852364475,4.609861592,0,0.015557001,-0.009647318,0.001248908,6.07E-04,-2.62E-04,-0.002031602,1.13E-04,0.001227322,0,37.04824744,-0.756091248,1.709144779,0.070009956,-11.82551198,-14.65396058,-2.508293822,24.99823533,0,45.91627204,-9.151236571,-1.399122762,-0.548072614,-9.051017984,-6.10863795,-11.05450414,30.11499781,0,0.110682768,-9.38E-04,0.020496139,-0.011472675,-0.037307101,-0.040160886,0.015871938,0.028980055,0,0.201457,-0.067503701,-0.007328171,-0.012883546,-0.021810733,0.017278635,-0.05928159,0.096700841,0,1.138211674,-0.414275865,-0.031837274,-0.094130742,-0.102504936,0.154742819,-0.331511994,0.46974905,0,2.146289889,-0.02792796,0.316070055,-0.167644407,-0.678356882,-0.664808407,0.154363706,0.512206844,0,-0.620127129,0.080279487,0.039037712,-0.016848411,-0.13059088,0.007257082,0.078891944,0,-0.020408287,0.046132945,0.001889697,-0.31919221,-0.395537214,-0.067703441,0.67474812,0,-0.199302691,-0.030471175,-0.011936348,-0.197120053,-0.13303863,-0.24075352,0.655867658,0,-0.008473107,0.185179136,-0.103653668,-0.337063322,-0.362846778,0.14340026,0.261829875,0,-0.335077465,-0.036375855,-0.063951839,-0.108264957,0.085768351,-0.294264234,0.480007352,0,-0.363970845,-0.027971312,-0.082700559,-0.090057885,0.135952584,-0.291256891,0.412707988,0,-0.013012203,0.147263451,-0.07810893,-0.316060233,-0.309747724,0.071921182,0.238647559,0,1.588213108,1.00375449,1.067114552,1.263096974,1.085143009,0.120030664,0.027763671,0,0.99899345,0.924401966,0.94489707,1.362000827,1.378672489,0.768892505,0,0,1.508256898,1.023287726,0.950105474,1.047963518,0.925993868,1.153646708,0,0,0.720275784,0.80377128,1.058805552,1.724335226,1.626421525,0.050416478,0,0,1.799320607,1.053865277,0.998618662,0.942760307,0.667270572,1.175465308,0,0,1.84360627,1.052146795,1.017184003,0.944997434,0.627905538,1.130134602,0,0,0.566412897,0.550316678,1.127155365,2.047156292,1.577429467,0.109628303,0,0,24.87008861,12.68504431,19.9076234,25.22723147,3.60389021,12.6850548,0.5,0.18655486,0.026650694,-1.17532095,23.44694617,3.349563739,2.208318181,24.87937819,12.68895468,19.91266062,25.23547188,3.605067411,12.68896512,0.498531158,0.186251781,0.026607397,-1.176459101,23.44591307,3.349416152,2.208287338,33.26408683,16.23304894,24.89948723,32.69409472,4.67058496,16.23304917,-0.797988956,0.072566896,0.010366699,-1.836272504,40.30367953,5.757668504,2.587509938,24.88912832,12.69305896,19.91794869,25.2441209,3.606302985,12.69306936,0.4969896,0.185933683,0.026561955,-1.177655648,23.44485459,3.349264941,2.208255735,42.34951804,20.09246476,31.13974607,40.80338338,5.829054768,20.09246476,-2.164588529,0.260832208,0.037261744,-0.940714572,31.01902284,4.431288977,2.404220459,25.84558723,13.0959278,20.44227845,26.09292178,3.727560254,13.09593445,0.346268372,0.1547693,0.0221099,-1.306073761,23.46859265,3.352656092,2.208964131,25.19617202,12.85777386,21.16589031,25.60679601,3.658113716,12.85778518,1.172698413,0.322950486,0.046135784,-0.791179383,27.65395846,3.950565494,2.323838217,0,11.99640053,15.99825848,-0.34958612,0.261199352,3.878932686,6.466382089,6,16,15,15,5,1,1,0,0,1,13.80607,3.520948033,3.031096698,2.605962958,2.05770581,1.332142787,1.08612832,0.083923071,0.083923071,1.795102369,1.45631953,1.247422046,0.732749818,0.402640613,0.083923071,0.083923071,0.083923071,3.431948383,2.956147805,2.579893396,2.016762904,1.404835946,0.634216743,0.270913902,0.270913902,1.7662401,1.453600588,1.177209478,0.70965242,0.403848775,0.270913902,0.270913902,0.270913902,3.610440844,3.21532654,2.854355582,2.368254866,1.860283663,1.255949921,0.943918427,0.943918427,1.555365012,1.132846243,0.847889163,0.300126487,0.108614761,0.943918427,0.943918427,0.943918427,3.426544647,2.940795793,2.60261339,2.022446622,1.46627792,0.465144215,0.399277246,0.399277246,1.760473264,1.444818654,1.134137037,0.693306882,0.333498727,0.399277246,0.399277246,0.399277246,3.636246235,3.266558008,2.942332254,2.457607379,2.033868232,1.209058028,1.207644823,1.207644823,1.515228414,1.082231629,0.754713496,0.214932351,0.270787192,1.207644823,1.207644823,1.207644823,4.781489065,3.307075707,3.218665513,2.484954646,1.874761962,1.601474845,0.576923077,0.576923077,1.647871753,1.105747056,0.941147513,0.358415157,0.150144358,0.576923077,0.576923077,0.576923077,0,0,1,0,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.49279928,0.40824829,0.204124145,0.100592232,0.083333333,0.041666667,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,4.730710143,2.377156753,1.326132613,0.681795046,0.306186218,0.102062073,0,0,0.675815735,0.396192792,0.221022102,0.136359009,0.102062073,0.102062073,0,0,9.138737228,17.10050983,16.3254902,16.6,9.953251497,131.4503174,0.537572778,1.005912343,0.960322953,0.976470588,0.585485382,7.73237161,0.9595,26.924,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,1,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.54125,-0.122685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.186527778,0.5125,0,0,0,0,0,0,0,0,0,0,3.342175926,0,1.405925926,0,0,0,0,0,0,-0.122685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18958333,4.351666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.351666667,-0.122685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305625,0.5125,0,0,0,0,0,0,0,0,0,0,1.400787037,0,0.538194444,0,0,0,0,0,0,-0.122685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18958333,4.351666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18958333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,1.941388889,0,0.867731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18958333,4.351666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.16666667,2.738095238,0.627083333,10.18958333,0.305625,-0.122685185,2.138774907,1.789351852,3.189583333,8.0825,1.789351852,3.189583333,8.0825,3.16666,0.45238,0,0.04762,0.5549,0.91905,0.42174,0.5549,0.91905,0.13316,0,-0.13316,0,0.49223,0.22206,0,0.42105,0.1579,0,5.25,0.75,3.75,0.53571,1.5,0.21429,-2.25,-0.32143,0,0,4.36463,0.62352,7.07892,2.71429,0.38776,2.18293,0.31185,3.30805,1.12513,0.16073,0.10595,0.01514,0.10595,0.01514,0,6.02,2,2,2,2,0,0,0.8,1.332820405,2.133387491,3.292770194,3.292770194,3.292770194,2.811892213,22.65794688,36.26758735,55.9770933,55.9770933,55.9770933,47.80216761,0.326075235,0.521934406,0.805578013,0.805578013,0.805578013,0.687930954,2.754642437,1.95407535,0.794692647,0.794692647,0.794692647,1.275570629,0.326075235,0.521934406,0.805578013,0.805578013,0.805578013,0.687930954,12.49498498,22.57177998,23.74023489,23.74023489,23.74023489,17.96969911,25.89308809,15.56333914,15.1628235,15.1628235,15.1628235,12.27755562,7,4.166666667,3.84,7,3,4,1.79,0.8875,0.2,1.807204007,0.816496581,0,1,1.414213562,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,2.859,6,5,3,1,0,0,0,0,0,28,2.079441542,2.197224577,2.079441542,1.609437912,0.693147181,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,26.3,109.9803765,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,102.0680796,6.00400468,12.66537523,1.809339318,5.076588817,5.076588817,0,50,5,1.063,24,1.2270625,2.096259626,2.853249131,3.612576602,4.799419847,5.786660393,6.79785035,0,0,0,96.90864932,104.5870248,114.5393082,131.7877546,92.72222853,41.39149278,6.907051018,0,0,0,275.0821314,308.6864297,372.1303277,450.3823656,479.1000958,447.7156263,211.302643,0,0,0,9.573754286,16.33886681,21.85566246,28.71305549,37.57296348,40.15554848,45.67111286,0,0,0,1.899056374,2.286851619,2.817367903,3.389831799,3.988599663,4.714646748,3.022411991,0,0,0,180.4501068,340.5600083,472.6879946,601.8967643,824.5692734,968.2522681,1257.042526,0,0,0,3.969661458,6.76594279,8.362783605,12.70276647,13.55793081,8.988517631,6.79785035,0,0,0,0.445526719,0.560401066,0.697316459,0.880903907,1.00273779,1.03312958,0.696099876,0,0,0,326.760848,227.5769963,12.8178012,178.9349483,-124.6216562,-22.19128003,147.8258997,352.1986524,35.00908124,0.646160894,0.450027463,0.025346861,0.353839106,-0.246436014,-0.043882667,165.2415872,115.0847303,6.481908185,90.48665115,-63.02064766,-11.22203703,0.375005191,0.45795864,2.688896919,8.033959553,445.0706748,60.62512149,0.880115433,0.119884567,523.9030215,22.88892792,8.061520593,620.7733823,24.91532425,8.530563018,838.8366415,28.9626767,9.4310301,2.092657649,2.092657649,444.4380703,395.769232,62.06900144,1.122972769,7.160386988,6.376278381,3.695696228,4.193003682,7.360793762,0.755494228,2.802231592,3.344511073,4.495959393,7.720095904,4.819498495,1.527745649,1.895117521,5.890390554,0.084439668,2.223140682,2.928966825,4.632195514,0.369242764,0.28803231,3.60E-18,8.68E-57,4.04E-117,3.62E-199,6.27E-303,0,0,0,0,0,0,0,0,0,0,0,0.2516794,3.49551831,0.440218135,2.862557834,0.26086558,1.072166457,0.25823193,0.344628877,0.016068422,0.197145891,1.142344276,0.09781656,0.002600846,0.002028635,2.54E-20,6.12E-59,2.84E-119,2.55E-201,4.41E-305,0,0,0,0,0,0,0,0,0,0,0,0.765034346,3.214432911,0.890389092,2.934106142,0.82953394,0.950704617,0.470868451,1.017747726,0.026092451,0.405352141,1.477462998,0.507466843,0.027100943,0.021139942,2.64E-19,6.37E-58,2.96E-118,2.66E-200,4.60E-304,0,0,0,0,0,0,0,0,0,0,0,2.650193139,3.495079447,5.238171074,8.145868913,4.661226363,1.756249746,2.070413405,5.744446239,0.082499636,2.546734059,2.809130529,4.172091108,0.32898882,0.256631602,3.21E-18,7.74E-57,3.60E-117,3.23E-199,5.58E-303,0,0,0,0,0,0,0,0,0,0,0,1.119938123,3.107627496,1.026614949,3.092585564,1.264263655,0.889595597,0.579832293,1.525913009,0.034317671,0.477340762,1.716291151,0.941864208,0.058866282,0.045918779,5.74E-19,1.38E-57,6.44E-118,5.78E-200,9.99E-304,0,0,0,0,0,0,0,0,0,0,0,3.384123505,3.439964249,6.350884155,10.18028057,6.536153916,1.865011639,2.516925799,8.024098703,0.101997215,3.167773692,3.384543849,6.542984811,0.538505091,0.420068054,5.25E-18,1.27E-56,5.89E-117,5.28E-199,9.14E-303,0,0,0,0,0,0,0,0,0,0,0,1.722265092,3.516072304,5.371151014,8.650479433,3.478527255,2.437156351,1.816290495,4.120963265,0.068277516,2.04414701,2.541164344,1.824018304,0.122899882,0.095868742,1.20E-18,2.89E-57,1.34E-117,1.21E-199,2.09E-303,0,0,0,0,0,0,0,0,0,0,0,5.714902966,0.678641378,0.391062371,0.842333713,0.100026635,0.568513672,0.508019371,0.470570081,6.784606714,6.378644229,14.67993536,0.76350057,1.547103124,3.9590054,0.554106551,0.065612924,0.864652389,0.121017656,0.272805006,0.337400685,0.013246802,4.578724875,2.4898293,7.212489958,0.796978583,0.623452492,4.812873642,0.515413747,0.197078865,0.871050609,0.093281372,0.403156192,0.29146613,0.119512232,5.525366254,3.530714067,9.544958337,0.806575914,0.814134554,5.541241986,0.696274301,0.366961376,0.839012904,0.105424583,0.53449885,0.53515795,0.414355364,6.604477663,6.147151951,14.16744895,0.758519357,1.484012165,5.222030484,0.521372797,0.26668865,0.868876973,0.086749554,0.474620049,0.298332936,0.218847364,6.010091931,4.254325108,10.99051013,0.803315459,0.99180035,5.791790065,0.708188001,0.411818664,0.837957233,0.102460768,0.583928802,0.55370287,0.521848338,6.911796729,6.778488509,15.37943206,0.75693585,1.659480009,5.571196367,0.702124957,0.370853144,0.83850844,0.105675274,0.540437739,0.548387689,0.423190768,6.644174468,6.238156947,14.33298876,0.75776266,1.512016196 +UMLMON0148,L,Methylbutanoate,CCCC(=O)OC,12180,"Co optima database valuese measured by NREL, source [9] from UML is unknown probably should use Sandia Sensitivity","Sandia, UML","[9], [11]",C5H10O2,UML,,105.2,0,-0.4787,0.22915369,28.2595,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1456.484335,1257.516426,941.19086,702.149539,307.657897,78.738912,9.144576,3346.887898,3979.09551,4762.761225,4548.278785,3714.265063,2647.928293,1675.784234,874.9221648,279.7536999,152.568096,145.6753,259.225708,284.313216,254.0432,203.05558,140.266468,83.016576,60.466176,23.35516286,28.53615172,36.78646875,36.33799295,29.80851667,21.85036128,14.2329069,9.348943289,4.001516144,3350.680532,2804.677982,5515.965281,6313.712957,5543.212399,4618.210326,3113.018667,2028.241198,1664.258868,90.77777778,55.5,94.66666667,96.08333333,94.41666667,70.5,50,18,9,69.4856748,68.35965826,42.83777456,33.09253753,28.52093515,26.00553848,17.09210539,6.561576,1.016064,167.3443949,209.4260795,140.0812125,119.691547,112.5534868,98.07141824,93.09912411,72.9101804,31.08374443,7.6284048,7.667121053,7.624285529,7.481926737,7.698278788,7.520577037,7.792581556,6.918048,6.718464,1.167758143,1.501902722,1.081954963,0.956262972,0.903288384,0.80927264,0.79071705,0.779078607,0.444612905,167.5340266,147.6146306,162.234273,166.150341,167.9761333,171.0448269,172.9454815,169.0200999,184.917652,4.538888889,2.921052632,2.784313725,2.528508772,2.861111111,2.611111111,2.777777778,1.5,1,0.268816445,-0.153994386,0.033723533,0.012855182,-0.033203037,0.035210379,-0.041159262,0.001119575,0.011039794,715.056216,-13.739645,-1.811537,15.127146,-265.926436,7.524355,-265.655591,-40.4064,207.36,931.2646053,-148.2416011,-122.4050951,-14.14884213,-215.6424858,19.16980356,-112.6110536,-135.6305065,263.877478,1.9334688,0.00145024,0.61979824,-0.22837152,-0.73811392,-0.27482048,-0.69360032,0.13789152,0.20903184,4.097118945,-1.072153629,-0.507085629,-0.369569819,-0.513715691,-0.093027659,0.323052972,-0.7061549,0.890094883,23.01673804,-6.548761719,-2.379522922,-2.664583803,-2.327152719,-0.957925282,2.907731573,-3.94163228,4.403478133,37.42222222,0.021111111,9.515555556,-2.624444444,-16.81333333,-2.02,-11.41333333,1.013333333,3.61,0.013440822,-0.008104968,9.92E-04,3.38E-04,-0.001006153,0.001304088,-0.002286626,9.33E-05,0.001226644,35.7528108,-0.723139211,-0.0532805,0.398082789,-8.058376848,0.278679815,-14.75864394,-3.3672,23.04,46.56323026,-7.80218953,-3.600149857,-0.372337951,-6.534620782,0.709992725,-6.256169643,-11.30254221,29.31971978,0.09667344,7.63E-05,0.01822936,-0.006009777,-0.022367088,-0.010178536,-0.038533351,0.01149096,0.02322576,0.204855947,-0.056429138,-0.014914283,-0.009725522,-0.015567142,-0.003445469,0.017947387,-0.058846242,0.098899431,1.150836902,-0.344671669,-0.069985968,-0.070120626,-0.070519779,-0.035478714,0.161540643,-0.328469357,0.489275348,1.871111111,0.001111111,0.279869281,-0.069064327,-0.509494949,-0.074814815,-0.634074074,0.084444444,0.401111111,-0.603011299,0.073795233,0.025169163,-0.074857967,0.097024429,-0.170125431,0.006941385,0.091262555,-0.02022608,-0.001490246,0.011134308,-0.225391421,0.007794627,-0.412796746,-0.094180008,0.644424857,-0.167561174,-0.077317442,-0.007996394,-0.140338648,0.015247927,-0.134358583,-0.242735355,0.629675382,7.90E-04,0.188566374,-0.062165749,-0.231367462,-0.105287826,-0.398592945,0.118863671,0.240249649,-0.275457653,-0.07280376,-0.047474929,-0.075990677,-0.016818984,0.087609794,-0.287256692,0.482775496,-0.299496539,-0.060813108,-0.060930116,-0.061276954,-0.030828621,0.140367973,-0.285417817,0.425147427,5.94E-04,0.149573844,-0.036910864,-0.272295401,-0.039984165,-0.338875693,0.045130641,0.214370546,1.585619858,0.990808619,0.982070968,1.154807917,0.950392762,1.283624986,0.141695555,0.032463407,1.04922138,0.985479586,0.923548675,1.231022269,0.934551671,1.442019494,0.804221444,0,1.505949528,1.108973627,0.963453038,1.036983297,0.832607538,0.921688511,1.148282892,0,0.713221749,0.778666028,0.946070606,1.463378121,1.155576195,1.879569967,0.058263676,0,1.749688453,1.136031594,1.002127101,0.963449418,0.827121207,0.662351159,1.16679926,0,1.787392882,1.130464694,1.012472645,0.959610384,0.838553501,0.626839151,1.128215268,0,0.558937055,0.532193133,1.003748515,1.79625081,1.091440684,1.826380641,0.126929929,0,34.47366876,17.48683438,27.8070297,34.84866876,4.356083595,17.48683448,0.5,0.195053505,0.024381688,-1.307585099,36.93847344,4.61730918,2.887402919,34.48338656,17.49095886,27.81216891,34.85728493,4.357160616,17.49095895,0.498531158,0.194811762,0.02435147,-1.308577207,36.97333131,4.621666413,2.888157502,43.27507067,21.23854086,32.78067123,42.67657895,5.334572369,21.23854086,-0.797988956,0.020387579,0.002548447,-3.114263564,35.33945622,4.417432027,2.852000064,34.49358618,17.49528789,27.81756372,34.86632838,4.358291048,17.49528799,0.4969896,0.19455804,0.024319755,-1.309619804,37.01009303,4.626261628,2.888952528,52.84789475,25.34165311,38.92953403,51.22445335,6.403056669,25.34165311,-2.164588529,0.221788591,0.027723574,-1.204824514,55.57043694,6.946304618,3.21412108,35.4943641,17.92031623,28.35085899,35.75406538,4.469258172,17.92031629,0.346268372,0.169691374,0.021211422,-1.419019153,41.81040823,5.226301028,2.986516247,35.97183543,18.19586867,30.15178041,36.41085494,4.551356868,18.19586873,1.173809524,0.310021599,0.0387527,-0.936890647,27.59601412,3.449501765,2.654137077,0,11.99635523,15.99825889,-0.349587576,0.261212252,3.957525958,6.780780077,7,19,18,18,6,1,1,0,0,1,15.992484,3.537876413,3.170020439,2.697857494,2.371136574,1.721015064,1.22439422,1.085602512,0.083923071,1.840994912,1.517651122,1.370326076,0.97285049,0.621196255,0.401210562,0.083923071,0.083923071,3.472008622,3.094283232,2.68820384,2.320433142,1.74003561,1.322024143,0.634216704,0.270913902,1.801064878,1.524568069,1.291016274,0.926552561,0.566176758,0.377659035,0.270913902,0.270913902,3.63523993,3.32508598,2.95607712,2.619366856,2.129097359,1.793102774,1.255949895,0.943918427,1.602170137,1.24096815,0.959741911,0.568071822,0.111633135,0.149582939,0.943918427,0.943918427,3.474404722,3.078865987,2.710719651,2.326903773,1.771622734,1.396594448,0.465144215,0.399277246,1.786188222,1.525061983,1.239522867,0.902288896,0.522919663,0.291408631,0.399277246,0.399277246,3.668547429,3.364014037,3.050453384,2.695529253,2.259283092,1.982580949,1.209058028,1.207644823,1.557193468,1.200200868,0.864546982,0.488416367,0.008083644,0.329804131,1.207644823,1.207644823,4.8581135,3.386334447,3.279458795,2.795506864,2.118509674,1.826946331,1.528150951,0.590163934,1.711429301,1.228488219,1.022565563,0.632269872,0.226329472,0.175602849,0.590163934,0.590163934,0,0,1,0,0,1,3,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.49279928,0.348461713,0.288675135,0.100592232,0.071129449,0.058925565,6.405777394,3.808060412,2.655648531,1.747400241,0.756710003,0.49279928,0.144337567,0,0.800722174,0.54400863,0.379378362,0.291233373,0.189177501,0.164266427,0.144337567,0,5.437816924,2.877156753,1.679686004,0.962125132,0.423176335,0.216506351,0.072168784,0,0.679727116,0.411022393,0.239955143,0.160354189,0.105794084,0.072168784,0.072168784,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.3496,31.541,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,63,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.76180556,-0.104768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.459027778,0.5125,0,0,0,0,0,0,0,0,0,0,3.459259259,0,2.55037037,0,0,0,0,0,0,-0.104768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.34847222,4.413333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.413333333,-0.104768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2725,0.5125,0,0,0,0,0,0,0,0,0,0,1.414675926,0,0.5625,0,0,0,0,0,0,-0.104768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.34847222,4.413333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.34847222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,2.044583333,0,1.050694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.34847222,4.413333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.66666667,2.583333333,0.592361111,10.34847222,0.2725,-0.104768519,2.73845088,1.771435185,3.348472222,8.612777778,1.771435185,3.348472222,8.612777778,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.36364,0.13636,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,5.60474,0.70059,8.4771,2.87236,0.35905,2.68293,0.33537,3.80805,1.12513,0.14064,0.10595,0.01324,0.10595,0.01324,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,2.070950594,3.346439345,3.546439345,3.546439345,3.33034294,25.90923688,41.41901189,66.92878689,70.92878689,70.92878689,66.6068588,0.299741647,0.479172848,0.774293156,0.820568799,0.820568799,0.770568799,3.026466251,2.2509775,0.97548875,0.77548875,0.77548875,0.991585155,0.299741647,0.479172848,0.774293156,0.820568799,0.820568799,0.770568799,12.01211119,21.71746765,24.10215464,24.30371965,24.30371965,21.71056279,29.38046565,17.93632218,16.22221018,15.69343894,15.69343894,14.39686051,8,5.142857143,5,8,3,5,1.9,1.0284,0.166666667,2.249576847,0.707106781,0,2.381101578,1.650963624,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,3.358,7,6,4,3,1,0,0,0,0,36,2.197224577,2.302585093,2.197224577,1.791759469,1.609437912,0.693147181,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.666666667,0.25,0.16,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.041666667,0.04,0.018518519,0,0,0,0,0,0.409708995,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,26.3,127.2763612,4,3.36729583,4.007333185,4.691347882,5.361292166,6.052089169,6.72982407,7.422373701,8.102586425,8.795582217,69.52972465,2.708050201,0,3.761200116,0,4.990432587,0,6.289715571,0,7.623153068,7.934871566,116.0837296,5.804186481,14.66013744,1.832517181,5.1060516,5.1060516,0,76,6,1.632,28,1.230631579,2.107673195,2.859055387,3.616071658,4.838164536,5.840062305,7.073539645,7.877375406,0,0,94.58963281,99.82155581,105.7335021,123.8528691,142.572044,112.1951945,48.97326296,8.003917565,0,0,279.0386343,316.0810647,368.754594,459.0242796,511.5456724,584.9137675,535.0392795,244.8583239,0,0,9.500427541,16.17938249,21.45586429,27.84860026,36.59642329,45.66402062,49.02721069,52.92386308,0,0,1.953218228,2.394720564,2.881442418,3.591752275,4.114840429,4.883662578,5.665225948,3.502382762,0,0,180.0610686,338.6270042,471.7892784,595.908366,820.8864407,1001.411937,1188.232392,1456.665764,0,0,3.698964912,6.17209819,7.325112696,10.233935,13.03662355,16.25982411,10.84109925,7.877375406,0,0,0.448387105,0.569263371,0.687828142,0.879873216,1.033050065,1.224112772,1.242746661,0.806643242,0,0,355.0165614,266.2241722,13.12167706,180.5634305,-135.4031193,-22.28271089,174.4531309,401.6272915,35.40438796,0.662863749,0.497076396,0.024499939,0.337136251,-0.252815866,-0.041604823,190.1397671,142.58434,7.027707696,96.70616062,-72.51920152,-11.93417412,0.348299358,0.425329574,2.234523202,7.619016224,478.3581724,57.22181944,0.893159154,0.106840846,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,955.6066687,30.91288839,9.849776829,2.417165256,2.417165256,692.5795107,640.051216,69.25769098,1.082068893,10.00003755,9.241590457,4.117114555,4.466158665,8.55760444,0.916099512,3.360032699,4.293028381,4.792292331,12.56268234,6.631361595,1.551831616,3.011158561,9.152542768,3.291608822,1.350421407,3.564836231,1.422437904,2.326983706,0.865084683,0.202466423,1.716146588,6.33E-09,5.38E-39,8.83E-91,2.79E-164,1.70E-259,0,0,0,0,0,0,0,0,0,0.298491782,4.443993512,0.46233507,3.875032781,0.273783997,1.072351495,0.407806532,0.443218613,2.141757678,0.082902404,2.033475618,0.049483718,0.174608832,0.006135767,0.016990752,0.012086961,4.46E-11,3.79E-41,6.22E-93,1.97E-166,1.20E-261,0,0,0,0,0,0,0,0,0,0.91615042,4.162911006,0.96359878,4.20574845,0.962918617,0.952486753,0.817731138,1.397788137,1.65374035,0.282612918,1.899994883,0.1993608,0.514037625,0.063543877,0.054848781,0.12595545,4.64E-10,3.95E-40,6.48E-92,2.05E-165,1.25E-260,0,0,0,0,0,0,0,0,0,3.176711882,4.44359216,5.515990118,12.56908593,6.275672087,1.777711597,3.127292194,8.808608591,3.8463379,1.263686588,3.969288836,1.30719882,2.15993589,0.770783663,0.191111201,1.529055713,5.64E-09,4.80E-39,7.87E-91,2.49E-164,1.52E-259,0,0,0,0,0,0,0,0,0,1.342655413,4.056109269,1.136347355,4.69732079,1.553605878,0.893448463,1.062123596,2.175748014,1.464978649,0.434254741,1.87245533,0.337170646,0.776695412,0.137966132,0.080837579,0.273592068,1.01E-09,8.58E-40,1.41E-91,4.45E-165,2.72E-260,0,0,0,0,0,0,0,0,0,4.057749124,4.38850086,6.717726121,16.78553502,9.178072843,1.900131662,3.852013332,12.65890384,4.225164046,1.741758296,4.34436557,1.960620932,2.985883235,1.261605186,0.244510305,2.502838512,9.23E-09,7.85E-39,1.29E-90,4.07E-164,2.49E-259,0,0,0,0,0,0,0,0,0,2.093644793,4.422614834,5.769106794,11.17229104,4.271280011,2.558679253,2.508138887,6.582336094,7.193357779,0.734274704,4.283001011,0.612245187,1.392942182,0.301372981,0.141031609,0.597722649,2.20E-09,1.87E-39,3.07E-91,9.73E-165,5.94E-260,0,0,0,0,0,0,0,0,0,7.289657472,0.742593322,0.414987615,0.862963387,0.087909597,0.544514367,0.510306568,0.499981437,8.447238409,8.746535559,19.44020607,0.794445081,1.554802371,5.686621568,0.529095171,0.072022644,0.904398421,0.084147122,0.331659653,0.261190461,0.015059888,6.287739383,3.456436366,9.960874889,0.856597631,0.607910001,6.398267095,0.543709836,0.210524282,0.8945496,0.076016742,0.419573336,0.274330077,0.128673169,7.152501212,4.940255457,12.8251287,0.841824399,0.822576582,7.162397608,0.750004846,0.391942828,0.862487934,0.090314747,0.525710905,0.52117991,0.445994038,8.304345282,8.473042312,18.88283898,0.793731901,1.492884853,6.746607283,0.572286878,0.281990891,0.887608119,0.075292137,0.466421831,0.30322226,0.230862698,7.600885052,5.924856303,14.61450672,0.831412178,1.000506789,7.379276047,0.773936064,0.437491478,0.858983897,0.090089951,0.557985208,0.554294348,0.555677491,8.590703589,9.278048678,20.36730454,0.788475845,1.667957046,7.178970891,0.757029895,0.395511045,0.86166485,0.090863448,0.528263702,0.532397609,0.454151592,8.331511831,8.573471548,19.05446551,0.792497275,1.514812904 +UMLMON0149,L,"Pentanoic acid, methyl ester",CCCCC(=O)OC,12206,RON/MON from [11],"Sandia, UML",[11],C6H12O2,PubChem,,101.1,0,1.3195,1.74108025,28.913,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,913.087565,683.062635,464.209538,157.477824,18.289152,0,0,2914.106344,3494.423905,4149.471199,3813.952988,2898.117216,1749.84433,559.5073998,0,0,125.864664,123.114164,211.6517,218.7219,228.5426,166.033152,120.932352,0,0,22.06875486,27.30703172,35.0937937,34.19448944,28.05690832,18.69788658,8.003032287,0,0,2979.777961,2471.442353,4779.986516,4922.175239,5572.699569,4056.482397,3328.517736,0,0,33.02777778,39,54.16666667,56.66666667,48,36,18,0,0,48.76541633,50.97680359,30.43625217,22.03427855,14.0669557,6.561576,1.016064,0,0,161.8947969,205.5543474,138.3157066,123.0307416,87.82173382,72.9101804,31.08374443,0,0,6.992481333,7.242009647,7.055056667,7.055545161,6.925533333,6.918048,6.718464,0,0,1.226041937,1.606295984,1.169793123,1.103048046,0.850209343,0.779078607,0.444612905,0,0,165.54322,145.3789619,159.3328839,158.7798464,168.8696839,169.0200999,184.917652,0,0,1.834876543,2.294117647,1.805555556,1.827956989,1.454545455,1.5,1,0,0,0.034016318,6.04E-04,-0.006571439,-0.024765097,0.008528589,-0.006292357,0.011487932,0,0,484.264036,-53.80711511,1.53E-13,-269.0355756,-2.74E-13,-161.4213453,242.132018,0,0,900.5096538,-100.0566282,2.20E-13,-500.283141,-2.63E-13,-300.1698846,450.2548269,0,0,0.094864,-0.010540444,5.72E-16,-0.052702222,-5.63E-16,-0.031621333,0.047432,0,0,4.025697139,-0.447299682,1.33E-15,-2.236498411,-1.33E-15,-1.341899046,2.01284857,0,0,21.86765075,-2.429738973,2.58E-14,-12.14869486,-3.11E-14,-7.289216918,10.93382538,0,0,3.211419753,-1.053069273,1.112139918,-2.668124143,0.987397119,-1.467078189,1.483024691,0,0,0.001889795,3.55E-05,-2.19E-04,-7.99E-04,2.58E-04,-2.62E-04,6.38E-04,0,0,26.90355756,-3.165124418,5.09E-15,-8.678566953,-8.29E-15,-6.725889389,13.45177878,0,0,50.0283141,-5.885684011,7.34E-15,-16.13816584,-7.97E-15,-12.50707852,25.01415705,0,0,0.005270222,-6.20E-04,1.91E-17,-0.001700072,-1.71E-17,-0.001317556,0.002635111,0,0,0.223649841,-0.026311746,4.44E-17,-0.07214511,-4.04E-17,-0.05591246,0.111824921,0,0,1.214869486,-0.142925822,8.59E-16,-0.391893383,-9.42E-16,-0.303717372,0.607434743,0,0,0.178412209,-0.061945251,0.037071331,-0.086068521,0.029921125,-0.061128258,0.082390261,0,0,0.018807272,-0.115910946,-0.422730447,0.136756647,-0.138735405,0.337718277,0,0,-0.117647059,1.89E-16,-0.322580645,-3.08E-16,-0.25,0.5,0,0,-0.117647059,1.47E-16,-0.322580645,-1.59E-16,-0.25,0.5,0,0,-0.117647059,3.62E-15,-0.322580645,-3.24E-15,-0.25,0.5,0,0,-0.117647059,1.99E-16,-0.322580645,-1.81E-16,-0.25,0.5,0,0,-0.117647059,7.07E-16,-0.322580645,-7.75E-16,-0.25,0.5,0,0,-0.347202985,0.207784719,-0.482413852,0.167707833,-0.342623739,0.461797213,0,0,1.284960032,1.309181463,1.642448455,0.670434642,0.78176079,0.004318407,0,0,1.5,1.0625,1.370967742,0.837121212,1.0625,0,0,0,1.5,1.0625,1.370967742,0.837121212,1.0625,0,0,0,1.5,1.0625,1.370967742,0.837121212,1.0625,0,0,0,1.5,1.0625,1.370967742,0.837121212,1.0625,0,0,0,1.5,1.0625,1.370967742,0.837121212,1.0625,0,0,0,1.764536281,0.718068236,1.664925362,0.548075663,1.32340221,0,0,0,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,21.14453912,10.53245474,16.12985288,21.0914527,3.515242116,10.53251867,-0.07962963,0.159026208,0.026504368,-1.103211757,18.92599419,3.154332364,1.764321799,0,11.89,12.11007471,-0.17326705,0.049670123,5.214369888,7.378696616,5,17,16,16,4,1,1,0,0,1,13.118484,3.532959885,2.941834607,2.333552793,2.120755613,1.401922417,0.354682903,0.083923071,0.083923071,1.87177014,1.569635374,1.249629723,1.006050198,0.569007432,0.083923071,0.083923071,0.083923071,3.553546526,2.986235002,2.405454588,2.187757642,1.498877166,0.480315977,0.270913902,0.270913902,1.817909022,1.482975783,1.134540686,0.891919666,0.430272234,0.270913902,0.270913902,0.270913902,3.648008463,3.179027368,2.704236987,2.471606288,1.892477614,0.959218208,0.943918427,0.943918427,1.667637597,1.216833856,0.76031856,0.525715552,0.035522772,0.943918427,0.943918427,0.943918427,3.568923451,3.018851683,2.457539916,2.236638709,1.56863582,0.569019741,0.399277246,0.399277246,1.784308846,1.426769086,1.058262671,0.816632916,0.337249574,0.399277246,0.399277246,0.399277246,3.696339941,3.270769598,2.838982085,2.601986593,2.064456247,1.207644823,1.207644823,1.207644823,1.623463591,1.130673224,0.631337262,0.401629124,0.202022445,1.150770408,1.207644823,1.207644823,3.573162445,3.047259858,2.558732663,2.32544852,1.612346658,0.637303186,0.537313433,0.537313433,1.768167991,1.375024602,0.946792365,0.722269638,0.25543157,0.537313433,0.537313433,0.537313433,0,0,0,1,1,3,1,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.288675135,0,0,0,0.288675135,0.288675135,0,0.204124145,0.204124145,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.78445705,2.404030206,1.689722705,0.612372436,0.40824829,0,0,0,0.797409508,0.480806041,0.337944541,0.204124145,0.204124145,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,2,3,0,1,0,0,0,0,0,0,0,0,3,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.622685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.533680556,0.870833333,0,0.304166667,0,0,0,0,0,0,0,0,6.375,0,1.168981481,0,2.208333333,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.243402778,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.114583333,0,1.168981481,0,2.208333333,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.208333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.290277778,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.145833333,0,1.168981481,0,2.208333333,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.16666667,1.861111111,0.304166667,2.208333333,0.081597222,1.168981481,3.736358796,0.331018519,0.208333333,1.166666667,0.331018519,0.208333333,1.166666667,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.70728,0.78455,5.69868,0.9914,0.16523,2.17869,0.36312,2.77005,0.59135,0.09856,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.94471679,2.821888196,2.821888196,2.590225695,1.895238195,16.52932501,35.00490222,50.79398752,50.79398752,46.62406252,34.11428751,0.220218789,0.46636733,0.676723969,0.676723969,0.621168413,0.454501746,3.251629167,2.225208211,1.348036806,1.348036806,1.579699306,2.274686806,0.220218789,0.46636733,0.676723969,0.676723969,0.621168413,0.454501746,6.73287657,16.01742989,16.90146519,16.90146519,14.12151519,8.328139924,23.69925001,14.79422358,15.1849632,15.1849632,13.7949882,10.7833757,6,3.2,5.333333333,6,2,5,2.12,0.911,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,2.685,5,3,2,0,0,0,0,0,0,21,1.945910149,2.197224577,1.945910149,1.609437912,0,0,0,0,0,0,3.433987204,1.428571429,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,109.6959078,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,84.09390038,4.671883355,10.67917749,1.779862916,0,0,0,32,3,2.836,20,1.206259122,2.08509399,2.980430263,3.676034759,4.55708542,5.535966931,0,0,0,0,71.93041403,74.03953854,73.78448234,61.76493723,33.15683094,5.624896703,0,0,0,0,272.3425848,319.1515843,389.321486,354.4987615,356.809684,172.0785812,0,0,0,0,8.769144113,14.7823285,21.07770908,25.54214278,31.6432898,37.19319453,0,0,0,0,2.069946742,2.628457918,3.424091745,3.327629067,3.7466563,2.461362338,0,0,0,0,173.2850161,327.0233472,469.7295974,614.5807573,760.9073043,1023.698006,0,0,0,0,2.867216749,3.979578676,5.579999973,5.582260562,7.129123899,5.535966931,0,0,0,0,0.429393923,0.554228873,0.729332928,0.718373635,0.820558042,0.566883014,0,0,0,0,327.4948026,115.4274742,9.191838097,123.5617516,-43.5500679,-6.996456892,203.933051,158.9775421,16.18829499,0.726061509,0.25590466,0.02037846,0.273938491,-0.096551236,-0.015511263,147.7186772,52.06431875,4.146038818,55.7333379,-19.64354356,-3.155797737,0.16210967,0.242711593,3.435577639,2.824192347,451.0565542,0,1,0,333.0274214,18.24903892,6.93149102,453.2676906,21.29008432,7.681598215,495.6352458,22.26286697,7.913842344,1.637975212,1.586085,335.0315457,276.4250669,71.37282347,1.212015789,4.694105255,3.872973682,3.744872052,3.448729143,6.570043365,0.905062153,4.927880111,4.077851464,1.860615371,10.57002395,5.73974167,6.274260226,3.593310961,5.557626925,6.29210537,2.382208192,2.436480519,1.224656042,1.87E-08,5.52E-38,3.14E-89,3.44E-162,7.27E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,0.413567715,4.070861168,0.151725959,4.874466549,1.176375093,0.333551855,0.551364916,1.18246578,1.227212568,0.032861087,0.066750351,0.008625353,1.32E-10,3.89E-40,2.21E-91,2.42E-164,5.12E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,1.335035117,4.071328381,0.492704066,5.433174741,1.724594798,1.203547833,1.038509633,1.734775108,1.940066389,0.21616094,0.306230237,0.089882825,1.37E-09,4.05E-39,2.30E-90,2.52E-163,5.34E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,4.651517141,4.077084029,1.753223914,10.00771451,5.324790698,5.789363437,3.359757803,5.169235098,5.868477527,2.13357871,2.205005946,1.091146485,1.67E-08,4.92E-38,2.79E-89,3.06E-162,6.48E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,1.9675936,4.07193405,0.729103493,5.996013833,2.214728475,1.902506515,1.412641653,2.215095163,2.524729372,0.429953888,0.543143374,0.195237506,2.98E-09,8.80E-39,5.00E-90,5.48E-163,1.16E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,5.951127798,4.0810784,2.261387801,12.89456525,7.430064864,8.207240631,4.511789889,7.132539785,7.98954601,3.421768481,3.391628965,1.786045742,2.73E-08,8.05E-38,4.57E-89,5.02E-162,1.06E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,2.731595663,3.729655817,0.9357064,7.010334756,2.781479764,2.8960403,1.742452205,2.769810912,3.508149992,0.748153278,0.889650182,0.353565211,5.40E-09,1.59E-38,9.06E-90,9.93E-163,2.10E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,4.317176364,1.430333038,0.351867312,0.707806152,0.234504787,0.606749052,0.550670465,0.444440241,6.099376714,8.197360667,16.46951803,0.561709229,1.601859758,3.212618073,0.773684639,0.075857044,0.790864532,0.190461401,0.33581746,0.160883614,0.020656054,4.062159756,2.787942394,7.038648873,0.686296798,0.517357128,3.65127971,1.034517133,0.185479364,0.749553003,0.212370863,0.433877949,0.287850238,0.123494245,4.871276206,4.646430033,10.21831956,0.624329505,0.845222432,4.289827579,1.414079307,0.345034076,0.709186551,0.233773038,0.599078842,0.538212975,0.427345863,6.048940962,8.034198651,16.17617028,0.563779827,1.56463768,3.846824287,1.15076588,0.234342543,0.735258747,0.219950436,0.481639342,0.356267323,0.197132307,5.231932711,5.597942127,11.86726104,0.60288812,1.035038972,4.40279894,1.481218296,0.373260352,0.703628516,0.236719288,0.631078589,0.590592916,0.500125788,6.257277587,8.717776684,17.40927402,0.555442773,1.721797294,4.293077157,1.415115509,0.344811758,0.709247319,0.233787291,0.600006755,0.539038745,0.426795332,6.053004425,8.043452017,16.19125686,0.563870978,1.565840833 +UMLMON0150,L,2-Methyl-2-Pentene,CCC=C(C)C,12243,,"Sandia, UML",[1],C6H12,PubChem,,83,0,2.1291,4.53306681,34.3705,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1227.862111,935.274484,777.037636,296.666496,36.578304,0,0,3399.790734,4147.41404,5288.145724,5239.015693,4232.892569,2940.181259,1119.0148,0,0,146.842108,144.889944,254.404924,283.60264,331.362832,211.133952,241.864704,0,0,25.74688067,32.32302034,43.78790813,46.56067532,40.08360749,29.39274087,16.00606457,0,0,3476.407621,2904.481805,5709.655628,6242.154872,8198.422653,4784.447057,6657.035473,0,0,38.55555556,45.33333333,65.22222222,76.66666667,68,54,36,0,0,48.76541633,51.7541979,34.10728086,23.3818621,16.18828408,9.8888832,1.016064,0,0,161.8947969,207.370702,146.8929368,130.9753923,88.18526186,98.00604198,31.08374443,0,0,6.992481333,7.2444972,7.066803444,7.090066,6.903392333,7.0377984,6.718464,0,0,1.226041937,1.616151017,1.216330781,1.164016883,0.835075156,0.979758029,0.444612905,0,0,165.54322,145.2240902,158.6015452,156.0538718,170.8004719,159.4815686,184.917652,0,0,1.835978836,2.266666667,1.811728395,1.916666667,1.416666667,1.8,1,0,0,0.037102359,-0.00205444,0.002570799,-0.036826177,0.020889496,-0.026361094,0.023230237,0,0,564.9747087,-53.80711511,80.71067267,-470.8122572,242.132018,-564.9747087,484.264036,0,0,1050.594596,-100.0566282,150.0849423,-875.4954967,450.2548269,-1050.594596,900.5096538,0,0,0.110674667,-0.010540444,0.015810667,-0.092228889,0.047432,-0.110674667,0.094864,0,0,4.696646663,-0.447299682,0.670949523,-3.913872219,2.01284857,-4.696646663,4.025697139,0,0,25.51225921,-2.429738973,3.644608459,-21.26021601,10.93382538,-25.51225921,21.86765075,0,0,3.841269841,-1.74829932,2.589569161,-4.639455782,3.346938776,-4.408163265,2.93877551,0,0,0.001766779,-1.03E-04,7.14E-05,-9.21E-04,4.35E-04,-8.79E-04,6.45E-04,0,0,26.90355756,-2.690355756,2.24196313,-11.77030643,5.044417042,-18.83249029,13.45177878,0,0,50.0283141,-5.00283141,4.169026175,-21.88738742,9.380308893,-35.01981987,25.01415705,0,0,0.005270222,-5.27E-04,4.39E-04,-0.002305722,9.88E-04,-0.003689156,0.002635111,0,0,0.223649841,-0.022364984,0.018637487,-0.097846805,0.041934345,-0.156554889,0.111824921,0,0,1.214869486,-0.121486949,0.101239124,-0.5315054,0.227788029,-0.85040864,0.607434743,0,0,0.182917611,-0.087414966,0.071932477,-0.115986395,0.069727891,-0.146938776,0.081632653,0,0,-0.058140822,0.0404188,-0.52109202,0.246322736,-0.497347514,0.365232071,0,0,-0.1,0.083333333,-0.4375,0.1875,-0.7,0.5,0,0,-0.1,0.083333333,-0.4375,0.1875,-0.7,0.5,0,0,-0.1,0.083333333,-0.4375,0.1875,-0.7,0.5,0,0,-0.1,0.083333333,-0.4375,0.1875,-0.7,0.5,0,0,-0.1,0.083333333,-0.4375,0.1875,-0.7,0.5,0,0,-0.477892562,0.393250689,-0.634090909,0.381198347,-0.803305785,0.446280992,0,0,1.382211563,1.109446376,1.854879538,0.603575371,1.303377982,0.004098899,0,0,1.5,1.011904762,1.553571429,0.625,1.714285714,0,0,0,1.5,1.011904762,1.553571429,0.625,1.714285714,0,0,0,1.5,1.011904762,1.553571429,0.625,1.714285714,0,0,0,1.5,1.011904762,1.553571429,0.625,1.714285714,0,0,0,1.5,1.011904762,1.553571429,0.625,1.714285714,0,0,0,1.923553719,0.506198347,1.923553719,0.289256198,2.082644628,0,0,0,25.00797929,12.50398965,18.57321498,25.00797929,3.57256847,12.50399995,-1.78E-15,0.062340101,0.008905729,-1.94260527,21.69060259,3.098657513,2.153815375,25.00797929,12.50398965,18.57321498,25.00797929,3.57256847,12.50399995,-1.78E-15,0.062340101,0.008905729,-1.94260527,21.69060259,3.098657513,2.153815375,25.00797929,12.50398965,18.57321498,25.00797929,3.57256847,12.50399995,-1.78E-15,0.062340101,0.008905729,-1.94260527,21.69060259,3.098657513,2.153815375,25.00797929,12.50398965,18.57321498,25.00797929,3.57256847,12.50399995,-1.78E-15,0.062340101,0.008905729,-1.94260527,21.69060259,3.098657513,2.153815375,25.00797929,12.50398965,18.57321498,25.00797929,3.57256847,12.50399995,-1.78E-15,0.062340101,0.008905729,-1.94260527,21.69060259,3.098657513,2.153815375,25.00797929,12.50398965,18.57321498,25.00797929,3.57256847,12.50399995,-1.78E-15,0.062340101,0.008905729,-1.94260527,21.69060259,3.098657513,2.153815375,29.76199819,14.8059991,22.17121136,29.65485534,4.236407905,14.80600001,-0.15,0.138652044,0.019807435,-1.383051437,19.50061884,2.785802692,2.07931234,0,11.89,12.11009426,-0.173116455,0.049805065,5.842125,7.816768872,6,20,19,19,5,1,1,0,0,1,15.304898,3.579778624,3.074489284,2.333552793,2.333552793,2.065590871,1.06896974,0.350856723,0.083923071,1.903071126,1.626247604,1.249629723,1.249629723,0.910880901,0.363793327,0.083923071,0.083923071,3.599360882,3.111806178,2.405454588,2.405454588,2.129796731,1.175096351,0.478309428,0.270913902,1.851416542,1.547140114,1.134540686,1.134540686,0.802354298,0.209803007,0.270913902,0.270913902,3.689230958,3.276888563,2.704236987,2.704236987,2.40155522,1.61064625,0.959217233,0.943918427,1.707922328,1.309850369,0.76031856,0.76031856,0.453274097,0.309182278,0.943918427,0.943918427,3.613986398,3.139383741,2.457539916,2.457539916,2.176632589,1.251806798,0.567872909,0.399277246,1.819257684,1.496292149,1.058262671,1.058262671,0.73071287,0.106310751,0.399277246,0.399277246,3.735270844,3.357205523,2.838982085,2.838982085,2.526114418,1.802250745,1.207644823,1.207644823,1.665869633,1.235012209,0.631337262,0.631337262,0.334620448,0.494420374,1.150819677,1.207644823,3.604240426,3.159388122,2.560542902,2.560542902,2.267394784,1.27275566,0.638410453,0.538461538,1.820783157,1.448693487,0.945158287,0.945158287,0.635374035,0.037338765,0.538461538,0.538461538,0,0,0,1,1,4,0,1,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.622008468,0,0,0,0.471404521,0.942809042,0.23570226,0.333333333,0.666666667,0.166666667,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,5.654700538,2.776709006,2.488033872,0.666666667,0.666666667,0,0,0,0.807814363,0.462784834,0.35543341,0.166666667,0.166666667,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,3,0,1,0,0,0,0,0,0,0,0,4,0,0,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.662037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.276388889,0,0,0.777083333,0.870833333,0,0.276388889,0,0,0,0,0,0,0,0,8.625,0,0,0,2.25,0,0.712962963,0,0,1.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.276388889,0,0,0.243402778,0.290277778,0,0.276388889,0,0,0,0,0,0,0,0,2.125,0,0,0,2.25,0,0.712962963,0,0,1.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.276388889,0,0,0.290277778,0.290277778,0,0.276388889,0,0,0,0,0,0,0,0,2.1875,0,0,0,2.25,0,0.712962963,0,0,1.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13,1.857142857,0.290277778,2.25,0.065972222,0.712962963,4.459912037,0.62037037,0.25,1.75,0.62037037,0.25,1.75,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0.28571,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.37354,0.91051,7.47656,1.10302,0.15757,2.5614,0.36591,3.12588,0.56448,0.08064,0.28812,0.04116,0.28812,0.04116,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.911092835,2.724719803,2.724719803,2.515561831,1.697611723,19.28421252,40.13294954,57.21911587,57.21911587,52.82679845,35.64984618,0.209068641,0.435098981,0.620337635,0.620337635,0.572718588,0.386495683,3.474021589,2.481224587,1.667597619,1.667597619,1.876755592,2.6947057,0.209068641,0.435098981,0.620337635,0.620337635,0.572718588,0.386495683,6.73287657,15.92600679,16.74600042,16.74600042,14.23610475,6.719804482,27.64912502,17.29583807,18.13367329,18.13367329,16.87872546,17.34211164,7,3.06122449,6,7,2,5,2.23,1.0519,1.889881575,2,4.618802154,0,0,2,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.096,0.164,0.169,2.956,7,4,4,0,0,0,0,0,0,28,2.079441542,2.397895273,2.197224577,2.197224577,0,0,0,0,0,0,3.713572067,1.428571429,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,5,0.833333333,0,2,4,1,2.5,0.444444444,0.5,0,0,0,0,0,0,0,0.416666667,0.063492063,0.125,0,0,0,0,0,0,0,0.60515873,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,0,126.9918924,3.807354922,3.295836866,3.891820298,4.65396035,5.262690189,6.033086222,6.64509097,7.417580402,8.030409562,8.803424212,67.03389907,2.564949357,0,3.713572067,0,4.976733742,0,6.300785795,0,7.655864018,7.958576904,98.10955045,4.671883355,12.50916243,1.787023205,0,0,0,48,4,3.34,26,1.212705426,2.099518655,3.005102879,3.633101192,4.545369866,5.025871555,0,0,0,0,73.71753674,83.49696018,77.0783794,67.75413086,46.18782195,5.106607155,0,0,0,0,277.07541,342.5821825,412.3329805,348.4075724,454.8201708,156.222907,0,0,0,0,8.82049534,14.91524745,21.34593581,25.15425642,32.03399546,33.76613711,0,0,0,0,2.098790965,2.762991342,3.610159705,3.212515612,4.528101731,2.234567351,0,0,0,0,173.9316101,327.3383736,466.1561078,615.0995751,721.3502773,929.3723673,0,0,0,0,2.831902716,4.039646049,5.857542304,5.35151358,8.293394869,5.025871555,0,0,0,0,0.43511166,0.580509282,0.767799815,0.692608787,0.981174115,0.514649247,0,0,0,0,299.3113131,118.796013,8.171121803,54.56341028,-21.65609956,-2.976775636,244.7479028,140.4521126,11.14789744,0.845811507,0.335700758,0.023090436,0.154188493,-0.061197079,-0.008411948,105.9187081,42.03890623,2.891553467,19.30861172,-7.663546242,-1.053405655,0.144635312,0.208394571,1.986969828,1.874366276,353.8747234,0,1,0,391.9611932,19.79800983,7.318369905,532.2592482,23.07074442,8.104155,634.3864898,25.18703019,8.592469024,1.538709241,1.314121321,399.0277719,330.2183995,115.1501163,1.208375344,3.465283273,2.867720937,3.982071475,3.467780355,6.596515209,0.902229822,5.756743436,4.912784115,2.41783354,15.07149376,6.070027243,11.61420366,4.087838121,5.44487286,8.431364978,3.6670073,4.211404815,0.960387788,1.01E-07,3.63E-36,2.85E-86,4.41E-158,1.32E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0.483127429,4.90030964,0.141358586,6.777773285,1.11227313,0.726830797,0.739720216,1.91642047,1.269937174,0.091239335,0.08793122,0.00676409,7.12E-10,2.56E-38,2.01E-88,3.10E-160,9.27E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559584886,4.901143334,0.496882055,7.509205194,1.697130022,2.508201868,1.28419918,2.374974572,2.179441331,0.437194446,0.458800061,0.07048703,7.42E-09,2.66E-37,2.09E-87,3.24E-159,9.66E-253,0,0,0,0,0,0,0,0,0,0,0,0,0,5.433896443,4.911414572,2.239854445,14.22361367,5.615413911,10.79168455,3.833715212,5.136290435,7.797563494,3.312277734,3.792408186,0.855688229,9.01E-08,3.23E-36,2.54E-86,3.93E-158,1.17E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,2.298539183,4.90222415,0.773347734,8.29679752,2.225438618,3.861991524,1.699222055,2.767455278,2.967775517,0.78868014,0.853186106,0.153107248,1.61E-08,5.79E-37,4.55E-87,7.03E-159,2.10E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,6.952100537,4.918542834,3.120654367,18.59702058,7.924822099,14.83675015,5.084551013,6.692524487,10.99989047,5.134628731,5.951877711,1.400635331,1.47E-07,5.30E-36,4.16E-86,6.43E-158,1.92E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,3.264583756,4.199996135,1.032450838,10.04204572,2.733202105,5.696196027,2.005157056,3.298619714,4.267733777,1.309907383,1.44081419,0.278455631,2.93E-08,1.05E-36,8.27E-87,1.28E-158,3.82E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,4.140400624,1.621573121,0.601524893,0.650648466,0.254824148,0.614689713,0.608245555,0.408198114,6.363498638,10.179933,20.58204713,0.475972698,1.631133382,3.131708832,0.941202818,0.236800363,0.726663133,0.218391116,0.351325383,0.204699724,0.063126329,4.309712014,3.912040136,8.919738548,0.589994699,0.619151436,3.532241142,1.211230381,0.381937874,0.689162732,0.236318758,0.447112149,0.339118581,0.164594652,5.125409397,6.090069213,12.84954549,0.533744098,0.950825382,4.115420117,1.604714005,0.592518546,0.651931974,0.254205972,0.607280317,0.59564804,0.396084962,6.312652668,9.993357849,20.21904583,0.477897962,1.599013318,3.710814136,1.331690823,0.446494336,0.676045657,0.242610857,0.493548334,0.410012778,0.224991596,5.488999295,7.193107034,14.88852825,0.514068486,1.128552708,4.218610223,1.674357342,0.62971623,0.646759885,0.25669761,0.638178779,0.648540053,0.447283582,6.522683795,10.77435832,21.74501815,0.470139828,1.734002414,4.119036708,1.606677404,0.592460778,0.651934582,0.254294544,0.608371791,0.597105977,0.396088184,6.31817489,10.01022424,20.24928277,0.477901873,1.601565951 +UMLMON0151,L,"2,4-dimethyl-2-pentene",CC(C)C=C(C)C,12260,"Sandia values averaged from co-optima database values sourced from their api report and our independent api report, since UML values are from concrete source would go with those ","Sandia, UML",[1],C7H14,PubChem,,84.6,0,0.7669,0.58813561,32.3767,16.696344,5,5,15,7,8,0,6,0,1,0,0,0,0,0,0,0,1129.681239,1202.505287,1617.143825,828.159364,319.859737,78.738912,9.144576,0,0,3006.162143,3640.936444,4662.371147,3528.62656,2216.331998,874.9221648,279.7536999,0,0,112.342524,114.711404,189.32522,183.826192,147.498148,83.016576,60.466176,0,0,20.93350724,25.53153448,33.10498053,27.01379989,21.04619777,9.348943289,4.001516144,0,0,2425.558639,2165.638819,3888.076483,3704.794767,3380.015936,2028.241198,1664.258868,0,0,41.80555556,45,68.77777778,63,36,18,9,0,0,75.3120826,80.16701913,64.685753,36.00692887,15.23141605,6.561576,1.016064,0,0,200.4108095,242.7290963,186.4948459,153.4185461,105.5396189,72.9101804,31.08374443,0,0,7.4895016,7.647426933,7.5730088,7.99244313,7.023721333,6.918048,6.718464,0,0,1.395567149,1.702102299,1.324199221,1.174513039,1.002199894,0.779078607,0.444612905,0,0,161.7039092,144.3759213,155.5230593,161.0780334,160.9531398,169.0200999,184.917652,0,0,2.787037037,3,2.751111111,2.739130435,1.714285714,1.5,1,0,0,0.124695282,-0.048055391,0.051511859,-0.095990295,0.013716601,0.008426605,0.008042979,0,0,513.6289296,22.3423712,244.2871244,-562.2005049,-217.2027322,-6.53904648,262.4983232,0,0,778.6923982,-49.26426573,144.3439326,-362.8604677,-444.1614858,-70.71551803,393.3116055,0,0,1.0071936,0.0196128,0.1592304,-0.99383472,0.06560736,0.08801952,0.15776784,0,0,3.531677142,-0.514646227,-0.317331639,0.044769678,-2.044165155,-0.449554928,1.5150897,0,0,19.71791966,-3.310735889,-3.378007883,2.769430554,-11.15491102,-2.63510014,7.850364543,0,0,7.048148148,-0.92037037,4.929012346,-9.542345679,-0.584074074,0.139259259,2.454444444,0,0,0.008313019,-0.003203693,0.002060474,-0.004173491,6.53E-04,7.02E-04,8.94E-04,0,0,34.24192864,1.489491413,9.771484976,-24.44350021,-10.34298725,-0.54492054,29.16648036,0,0,51.91282655,-3.284284382,5.773757306,-15.77654207,-21.15054694,-5.892959836,43.7012895,0,0,0.06714624,0.00130752,0.006369216,-0.043210205,0.00312416,0.00733496,0.01752976,0,0,0.235445143,-0.034309748,-0.012693266,0.001946508,-0.097341198,-0.037462911,0.1683433,0,0,1.314527977,-0.220715726,-0.135120315,0.120410024,-0.531186239,-0.219591678,0.872262727,0,0,0.469876543,-0.061358025,0.197160494,-0.414884595,-0.027813051,0.011604938,0.272716049,0,0,-0.385382595,0.247861146,-0.50204278,0.078572116,0.084471976,0.107501785,0,0,0.043499051,0.285366081,-0.713847064,-0.302056212,-0.015913839,0.851776799,0,0,-0.063265374,0.111220245,-0.303904509,-0.407424299,-0.113516451,0.841820652,0,0,0.019472721,0.094855885,-0.643523825,0.046527698,0.109238581,0.261068379,0,0,-0.145722898,-0.053911775,0.008267351,-0.413434725,-0.159115241,0.715000097,0,0,-0.167904928,-0.102789988,0.091599438,-0.404088957,-0.167049832,0.663555848,0,0,-0.13058329,0.419600631,-0.882965112,-0.059192253,0.024697846,0.580399369,0,0,1.278644194,0.865161225,2.621307562,0.130695021,0.096386424,0,0,0,0.908873328,0.694659989,1.782669563,1.09996668,0.82497501,0,0,0,1.120632197,0.859054583,1.140818028,1.349177928,1.011883446,0,0,0,0.851911159,0.982735077,2.798105634,0.109884204,0.082413153,0,0,0,1.263001368,1.036850972,0.879905043,1.329862973,0.997397229,0,0,0,1.298219785,1.092073564,0.843870257,1.293861607,0.970396205,0,0,0,1.004203889,0.587073043,2.552491489,0.504466632,0.496584341,0,0,0,17.2512011,8.75060055,12.42100359,17.42977253,2.489967504,8.751162606,0.25,4.44E-16,6.34E-17,-24.74535435,2000018.265,285716.895,10.15606681,17.25557748,8.752421529,12.42440573,17.43362432,2.49051776,8.752982423,0.249265579,7.77E-16,1.11E-16,-24.35362329,2000018.266,285716.8951,10.15606681,21.23794274,10.41947413,15.58751727,20.95294668,2.993278097,10.41956915,-0.398994478,3.33E-16,4.76E-17,-24.9467318,2000020.258,285717.1797,10.15606751,17.26017089,8.754332844,12.42797686,17.43766717,2.491095311,8.754892521,0.2484948,7.77E-16,1.11E-16,-24.35362329,2000018.267,285716.8952,10.15606681,25.76738659,12.27627688,19.14288819,25.30354619,3.614792312,12.27629223,-1.082294264,0,0,0,2000023.418,285717.6311,10.15606861,17.71110313,8.942118658,12.77980941,17.83477041,2.547824344,8.942571639,0.173134186,0,0,0,2000018.385,285716.9122,10.15606685,17.08405805,8.749965531,12.15254904,17.3811102,2.483015743,8.750545125,0.415873016,1.11E-16,1.59E-17,-25.7157604,2000019.616,285717.088,10.15606728,0,11.89,15.99491614,-0.319106959,0.135565102,5.358571458,6.709038668,7,15,13,10,2,2,0,0,0,5,10.661656,3.82425426,2.852587597,2.440965921,1.982838307,1.590045842,0.376234974,0.083923071,0.083923071,1.685394744,1.624782664,1.190372398,0.748730831,0.149925007,0.083923071,0.083923071,0.083923071,3.742696978,2.890505745,2.485428603,1.759011632,1.649787844,0.504005159,0.270913902,0.270913902,1.645302925,1.635270651,1.091945166,0.784306587,0.076155921,0.270913902,0.270913902,0.270913902,3.871489847,3.065817247,2.725312629,2.16011785,1.909679564,0.963466379,0.943918427,0.943918427,1.504200862,1.421874763,0.771670347,0.388994279,0.497193224,0.943918427,0.943918427,0.943918427,3.724494194,2.918990139,2.524595886,1.695899316,1.693578172,0.592657952,0.399277246,0.399277246,1.664736074,1.604865898,1.026550746,0.778523624,0.001809185,0.399277246,0.399277246,0.399277246,3.874293694,3.15430001,2.838709877,2.178533571,2.036200717,1.207644823,1.207644823,1.207644823,1.467905353,1.405069119,0.662508967,0.305553504,0.668506073,1.130458367,1.207644823,1.207644823,3.932979111,2.954522796,2.617701775,2.310837251,1.733918218,0.647550996,0.529411765,0.529411765,1.569510176,1.464847133,0.932403176,0.496146332,0.235984905,0.529411765,0.529411765,0.529411765,0,0,0,4,0,2,0,0,0,0,0,0.11785113,0.23570226,0.11785113,0,0,0.034020691,0.068041382,0.034020691,0.577350269,0,0,0,0.23570226,0,0,0,0.741581624,1.040440115,0.589255651,0.253933894,0.321975275,0.170103454,5.276020882,3.2876937,3.023395961,1.95700308,1.491624578,0.638071187,0,0,0.753717269,0.469670529,0.335932885,0.217444787,0.149162458,0.127614237,0,0,4.562948829,2.318931893,1.656696226,0.874724706,0.556683324,0.219416097,0,0,0.651849833,0.331275985,0.184077358,0.097191634,0.055668332,0.043883219,0,0,8.88211032,14.8820102,14.25098039,14.44,9.674457485,113.7529305,0.592140688,0.992134013,0.950065359,0.962666667,0.644963832,7.583528703,1.31644,28.417,22.47266809,30.16393587,44.94533619,6.420762312,22.47266809,3.33E-16,4.76E-17,-24.9467318,2000014.736,285716.3909,10.15606557,42,0,0,1,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,2,0,0,0,0,0,0,0,0,2,0,0,0,0,2,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.083333333,5.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.979861111,0,0,0,0,0.979861111,0,0,0,0,0,0,0,0,3.875,0,0,0,0,3.907407407,0,0,0,0,1.967592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.083333333,0.983796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.489930556,0,0,0,0,0.489930556,0,0,0,0,0,0,0,0,1.9375,0,0,0,0,1.953703704,0,0,0,0,0.983796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.083333333,1.953703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.489930556,0,0,0,0,0.489930556,0,0,0,0,0,0,0,0,1.9375,0,0,0,0,1.953703704,0,0,0,0,0.983796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.83333333,2.119047619,0.489930556,5.083333333,0.236111111,0.983796296,3.235833333,0.68287037,1.583333333,3.166666667,0.68287037,1.583333333,3.166666667,3.33333,0.47619,0,0.02381,0.53778,0.80952,0.43333,0.48772,0.80952,0.10444,0.05006,-0.05439,0,0.58823,0.12606,0,0.3,0.3,0,9,1.28571,4,0.57143,5,0.71429,1,0.14286,0,0,3.24466,0.46352,6.88311,3.63845,0.51978,1.42047,0.20292,3.28768,1.86721,0.26674,0.12632,0.01805,0.21232,0.03033,0.333333333,7.01,0,1,1,1,0,0,0.333333333,1.272905595,2.339572262,2.339572262,2.339572262,2.339572262,2.339572262,19.09358393,35.09358393,35.09358393,35.09358393,35.09358393,35.09358393,0.325810402,0.598832295,0.598832295,0.598832295,0.598832295,0.598832295,2.633985,1.567318334,1.567318334,1.567318334,1.567318334,1.567318334,0.308263103,0.566580748,0.566580748,0.566580748,0.566580748,0.566580748,10.99874005,19.04262746,19.04262746,19.04262746,19.04262746,19.04262746,24.98883943,19.9845481,19.9845481,19.9845481,19.9845481,19.9845481,5.142857143,1.851851852,1.185185185,0,5,0,2.01,0.8181,0.25,1.632993162,2.309401077,0,1,2.828427125,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.148,0.429,0.411,3.015,9,9,10,5,0,0,0,0,0,47,2.351375257,2.90416508,3.291196486,3.739156607,3.203762187,0,0,0,0,0,4.830810618,2.644946809,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,2,0.285714286,0,2,4,1,2,0.666666667,0.569444444,0,0,0,0,0,0,0,0.285714286,0.074074074,0.142361111,0,0,0,0,0,0,0,0.502149471,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,13.14,92.59321705,3.807354922,3.496507561,4.234106505,5.043425117,5.802118375,6.610696045,7.378383713,8.182838711,8.955835144,9.75643661,73.46034778,2.708050201,0,3.931825633,2.397895273,5.303304908,4.59511985,6.736966958,6.502790046,8.206583614,8.621913502,96.05751488,6.403834325,13.45353991,1.921934272,2.895226194,2.895226194,0,41,4,1.181,32,1.345305484,2.305450102,3.452381606,4.272473722,5.533025255,6.288407111,0,0,0,0,127.2057797,174.7831279,136.7251856,74.63157529,38.2208363,6.389424083,0,0,0,0,358.3069224,476.4834387,560.4268986,484.3018823,417.8611031,195.4672395,0,0,0,0,10.48545941,17.78414114,27.71193351,30.10890469,38.34667244,42.24843679,0,0,0,0,2.416228405,3.261621367,4.221963345,4.504213048,4.426189124,2.795906952,0,0,0,0,192.4617248,353.1599369,553.0231848,680.0972407,929.7013212,1162.837478,0,0,0,0,4.349376817,7.002339625,9.685675569,7.603491684,8.472242457,6.288407111,0,0,0,0,0.546242611,0.772499992,0.99387824,0.967529136,0.971018073,0.643932888,0,0,0,0,267.5060254,112.6189988,10.51163985,110.0028995,-46.31079389,-12.12033717,157.5031259,158.9297927,22.63197702,0.70860848,0.298321421,0.027844745,0.29139152,-0.122674699,-0.032106094,100.9859121,42.51467717,3.968237859,41.52707632,-17.48273801,-4.575535453,0.153038853,0.757939762,3.541267415,24.26183662,345.498681,32.01024387,0.915206657,0.084793343,458.1364071,21.40412126,7.709003956,536.0573203,23.1529117,8.123385754,706.7320518,26.58443251,8.907413139,2.47410681,2.47410681,383.9712677,305.6160244,102.6950071,1.256384604,3.738947769,2.975957965,3.872798679,4.264305803,6.726399482,0.577372682,2.394553898,2.810475747,3.711715652,4.656174413,3.472449837,3.18988394,3.096018681,7.021744133,1.897575833,3.892920083,3.59531017,1.330572083,6.23E-04,1.02E-26,3.59E-71,2.43E-137,3.18E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,0.20098838,2.98997887,1.214669249,4.217481926,1.862478511,1.433798188,2.211672169,0.378962639,0.080709285,0.91734481,0.267281904,0.00937133,4.39E-06,7.21E-29,2.53E-73,1.71E-139,2.24E-227,0,0,0,0,0,0,0,0,0,0,0,0,0,0.648741857,2.656071039,1.596265216,3.54903144,1.641460859,1.042342893,2.334929114,1.361349924,0.312292382,1.265755134,0.88551705,0.097656468,4.58E-05,7.52E-28,2.63E-72,1.78E-138,2.33E-226,0,0,0,0,0,0,0,0,0,0,0,0,0,2.260265394,2.989348291,3.591046096,5.048663404,3.684975422,3.522288612,3.220610178,6.484266143,1.737076587,3.619143187,3.369960329,1.185515773,5.55E-04,9.13E-27,3.20E-71,2.17E-137,2.83E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,0.956110586,2.529186908,1.900249673,3.350035417,1.678720897,0.969466562,2.386090805,2.14630268,0.512621469,1.581820867,1.328053905,0.212122893,9.94E-05,1.63E-27,5.72E-72,3.88E-138,5.06E-226,0,0,0,0,0,0,0,0,0,0,0,0,0,2.891763809,2.923807646,4.396252991,5.16282367,4.122649265,4.277439198,3.445702838,9.167120349,2.547776932,5.010613864,4.454216115,1.940514328,9.09E-04,1.49E-26,5.23E-71,3.55E-137,4.63E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,1.342288273,3.047606263,2.316762126,5.493363705,3.454180536,3.071215046,2.926154581,3.015552411,0.777358356,2.100571692,1.889780733,0.372928515,1.75E-04,2.87E-27,1.01E-71,6.81E-138,8.90E-226,0,0,0,0,0,0,0,0,0,0,0,0,0,5.24945724,1.427021782,0.288111223,0.75373526,0.204896732,0.611667185,0.424205408,0.430227906,6.964590245,9.414658361,18.53751566,0.63060289,1.466100499,3.056545464,0.960913515,0.152988944,0.732905798,0.230410146,0.208439027,0.206620486,0.08574057,4.170447923,3.551702654,8.17149071,0.599358697,0.500800083,3.989266361,1.068525118,0.181060964,0.761477137,0.203961675,0.353446902,0.239681771,0.163715105,5.238852443,5.178399911,11.18904849,0.642215706,0.756843778,5.071179894,1.415227381,0.292456895,0.748086961,0.208770577,0.571024348,0.419275171,0.433222111,6.778864169,9.073867168,17.95165722,0.622130441,1.423521629,4.445740672,1.150072096,0.19564076,0.76763815,0.198580907,0.438672476,0.275177317,0.199499824,5.791453528,6.207691354,12.99944088,0.651457225,0.913349617,5.399810446,1.482249454,0.307147638,0.751099536,0.206177029,0.647229736,0.45790907,0.487831548,7.189207539,10.11767453,19.76525063,0.626649304,1.592970354,5.147160016,1.412838764,0.286413765,0.751803953,0.206361909,0.588142708,0.416553835,0.42183257,6.846412544,9.15098114,18.08022528,0.62770593,1.426529113 +UMLMON0152,L,"2,5-Dimethylfuran",CC1=CC=C(O1)C,12266,MON from [1],"Sandia, UML","[1], [9]",C6H8O,PubChem,,88.1,0,2.4326,5.91754276,38.5892,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1179.348079,1382.201192,1112.811677,827.498116,718.448644,242.14176,25.4016,0,3823.307636,4570.930941,5764.231753,5913.49121,4754.006523,3463.108659,2294.732327,777.0936108,0,154.382624,152.43046,255.626144,292.34066,373.270288,235.707664,142.35264,167.9616,0,28.53578067,35.11192034,46.80112663,51.35636954,45.42701054,31.1833012,22.2708862,11.11532262,0,3603.201977,3031.276161,5619.737228,6273.563915,9180.748148,5736.755942,3062.450954,4622.941301,0,50.05555556,53.91666667,71.33333333,89.44444444,83.66666667,61.66666667,50,25,0,53.10626655,56.15943233,38.39447756,27.14174822,15.32403919,21.13084247,12.107088,1.016064,0,173.7867107,217.6633782,160.1175487,144.2314929,88.03715784,101.856137,114.7366164,31.08374443,0,7.017392,7.258593333,7.100726222,7.13026,6.912412741,6.932578353,7.117632,6.718464,0,1.297080939,1.671996207,1.300031295,1.252594379,0.841240936,0.917155918,1.11354431,0.444612905,0,163.781908,144.3464838,156.1038119,153.013754,170.0138546,168.7281159,153.1225477,184.917652,0,2.275252525,2.567460317,1.981481481,2.181571816,1.549382716,1.81372549,2.5,1,0,0.057848584,-0.003951849,-0.009829613,-0.046118124,0.035277962,0.014293692,-0.05437264,0.035776281,0,616.3360458,-49.02673092,48.02618539,-587.3202255,204.1112879,236.1287448,-560.3054962,400.2182116,0,1146.103196,-91.16729966,89.30674252,-1092.147039,379.5536557,439.0914841,-1041.911996,744.2228543,0,0.120736,-0.009604,0.009408,-0.115052,0.039984,0.046256,-0.10976,0.0784,0,5.123614541,-0.407560248,0.399242692,-4.882405415,1.696781439,1.962943233,-4.657831401,3.327022429,0,27.8315555,-2.213873733,2.168692637,-26.5213037,9.216943706,10.6627388,-25.3014141,18.07243864,0,8.232323232,-2.67630854,2.352157943,-7.718319559,2.025711662,6.807621671,-8.494031221,3.587006428,0,0.002629481,-1.88E-04,-2.73E-04,-0.001124832,6.53E-04,4.20E-04,-0.002718632,0.001431051,0,28.01527481,-2.334606234,1.334060705,-14.32488355,3.779838665,6.944963083,-28.01527481,16.00872846,0,52.0955998,-4.341299984,2.480742848,-26.63773265,7.028771402,12.91445541,-52.0955998,29.76891417,0,0.005488,-4.57E-04,2.61E-04,-0.002806146,7.40E-04,0.001360471,-0.005488,0.003136,0,0.23289157,-0.019407631,0.011090075,-0.119083059,0.031421878,0.057733625,-0.23289157,0.133080897,0,1.265070705,-0.105422559,0.060241462,-0.646861066,0.170684143,0.313609965,-1.265070705,0.722897546,0,0.374196511,-0.127443264,0.065337721,-0.188251697,0.037513179,0.200224167,-0.424701561,0.143480257,0,-0.071566694,-0.103839807,-0.427777289,0.248450385,0.15988048,-1.033904385,0.544233324,0,-0.083333333,0.047619048,-0.511324042,0.134920635,0.24789916,-1,0.571428571,0,-0.083333333,0.047619048,-0.511324042,0.134920635,0.24789916,-1,0.571428571,0,-0.083333333,0.047619048,-0.511324042,0.134920635,0.24789916,-1,0.571428571,0,-0.083333333,0.047619048,-0.511324042,0.134920635,0.24789916,-1,0.571428571,0,-0.083333333,0.047619048,-0.511324042,0.134920635,0.24789916,-1,0.571428571,0,-0.34057844,0.174608044,-0.503082448,0.100249943,0.535077589,-1.134969325,0.383435583,0,1.272844754,1.131069313,1.468064016,0.512923451,0.797257891,2.354181918,0.058914689,0,1.375,1.03125,1.609756098,0.6875,0.606617647,2.0625,0,0,1.375,1.03125,1.609756098,0.6875,0.606617647,2.0625,0,0,1.375,1.03125,1.609756098,0.6875,0.606617647,2.0625,0,0,1.375,1.03125,1.609756098,0.6875,0.606617647,2.0625,0,0,1.375,1.03125,1.609756098,0.6875,0.606617647,2.0625,0,0,1.629754601,0.505853783,1.781841987,0.620671438,0.241753879,3.188650307,0,0,34.46672564,17.23336282,27.62408835,34.46672564,4.308340705,17.23336293,-1.07E-14,5.55E-17,6.94E-18,-29.9439582,27.475724,3.4344655,2.650642281,34.46672564,17.23336282,27.62408835,34.46672564,4.308340705,17.23336293,-1.07E-14,5.55E-17,6.94E-18,-29.9439582,27.475724,3.4344655,2.650642281,34.46672564,17.23336282,27.62408835,34.46672564,4.308340705,17.23336293,-1.07E-14,5.55E-17,6.94E-18,-29.9439582,27.475724,3.4344655,2.650642281,34.46672564,17.23336282,27.62408835,34.46672564,4.308340705,17.23336293,-1.07E-14,5.55E-17,6.94E-18,-29.9439582,27.475724,3.4344655,2.650642281,34.46672564,17.23336282,27.62408835,34.46672564,4.308340705,17.23336293,-1.07E-14,5.55E-17,6.94E-18,-29.9439582,27.475724,3.4344655,2.650642281,34.46672564,17.23336282,27.62408835,34.46672564,4.308340705,17.23336293,-1.07E-14,5.55E-17,6.94E-18,-29.9439582,27.475724,3.4344655,2.650642281,53.094049,26.2595245,43.65365876,52.662799,6.582849875,26.2595245,-0.575,1.67E-16,2.08E-17,-29.06506837,25.57467932,3.196834915,2.593282218,0,11.89,12.11011416,-0.173126467,0.049818096,5.82084375,7.914152671,7,21,19,19,5,2,2,0,0,2,15.304898,3.576488211,3.298755135,2.558281964,2.233129697,2.208510815,1.584740816,0.434253304,0.41562294,1.899761233,1.685923137,1.302892393,1.124997482,1.077825751,0.714844463,0.083923071,0.083923071,3.596826834,3.322041737,2.610279091,2.30253787,2.275705461,1.674105265,0.543083167,0.531306653,1.849518374,1.624281372,1.20086542,1.01254338,0.966866026,0.576328096,0.270913902,0.270913902,3.688694656,3.429599849,2.838974676,2.592565043,2.556723059,2.04733523,0.963750594,0.963681451,1.707523373,1.452052821,0.884109838,0.647206309,0.609793082,0.117128574,0.943918427,0.943918427,3.61193881,3.339477877,2.64868349,2.352927729,2.324487837,1.739087476,0.620306824,0.612327227,1.818037141,1.585774801,1.13431511,0.938020094,0.89363632,0.48379033,0.399277246,0.399277246,3.734918524,3.484921434,2.948522433,2.723917585,2.684414328,2.214667507,1.207644823,1.207644823,1.665033815,1.401563098,0.781320839,0.52161366,0.487893518,0.043631227,1.133676115,1.134624716,3.594946474,3.423743283,2.605710846,2.481638723,2.481608742,1.712899703,0.60859854,0.606104006,1.886270738,1.54801905,1.145494759,0.816449321,0.723232462,0.457008477,0.489795918,0.489795918,0,0,2,0,2,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.5,0,0,0,0.577350269,0.333333333,0.666666667,0.353553391,0.176776695,0.301776695,6.568914101,3.625897658,3.365043969,1.321367205,0.666666667,0.666666667,0,0,0.821114263,0.51798538,0.420630496,0.264273441,0.166666667,0.166666667,0,0,5.828427125,2.914213562,2.414213562,0.978553391,0.426776695,0.364276695,0,0,0.728553391,0.416316223,0.301776695,0.195710678,0.106694174,0.091069174,0,0,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.77118,38.322,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,56,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,2,4,0,2,0,0,0,0,0,0,0,0,2,2,2,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.05898148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.74375,0,0,0,0.667361111,1.281805556,0,0.74375,0,0,0,0,0,0,0,0,4.089166667,7.571944444,2.185185185,0,0,0,0,0,0,2.487037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.243518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.371875,0,0,0,0.333680556,0.307222222,0,0.371875,0,0,0,0,0,0,0,0,2.044583333,3.785972222,1.092592593,0,0,0,0,0,0,1.243518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.785972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.371875,0,0,0,0.333680556,0.333680556,0,0.371875,0,0,0,0,0,0,0,0,2.044583333,3.785972222,1.092592593,0,0,0,0,0,0,1.243518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.33333333,2.041666667,0.371875,3.785972222,0.087222222,1.092592593,4.87698537,0.423148148,0.785972222,3.322222222,0.423148148,0.785972222,3.322222222,4,0.5,0,0,0.44545,0.7,0.42308,0.42308,0.7,0.02238,0.02238,0,0,0.71429,0,0,0.5,0.25,0,5.5,0.6875,3.5,0.4375,2,0.25,-1.5,-0.1875,0,0,6.21275,0.77659,8.87961,2.66686,0.33336,2.54328,0.31791,3.62588,1.0826,0.13533,0.28812,0.03601,0.28812,0.03601,0,7,0,0,0,0,0,0,0.5,0.945660305,2.222191576,2.663532755,2.663532755,2.663532755,2.349038971,20.8045267,48.88821466,58.59772061,58.59772061,58.59772061,51.67885737,0.212058483,0.498312737,0.597280771,0.597280771,0.597280771,0.526757482,3.513771314,2.237240043,1.795898864,1.795898864,1.795898864,2.110392647,0.209052139,0.491248179,0.588813148,0.588813148,0.588813148,0.519289665,6.786633838,16.06746307,16.51225776,16.51225776,16.51225776,12.73833236,31.28312609,22.05484971,21.74036979,21.74036979,21.74036979,17.96644439,8,3.9375,7.2,8,2,6,2.34,1.1498,1.62865057,3.265986324,4,0,1,2.828427125,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.123,0.112,0.159,0.31,3.506,8,5,4,4,0,0,0,0,0,36,2.302585093,2.564949357,2.079441542,1.945910149,2.302585093,0,0,0,0,0,3.951243719,1.416666667,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,5,0.714285714,0,3,5,0.666666667,2.5,0.666666667,0.25,0.32,0,0,0,0,0,0,0.357142857,0.083333333,0.05,0.08,0,0,0,0,0,0,0.57047619,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,0,141.6514183,4,3.433987204,4.043051268,4.779123493,5.424950017,6.150602768,6.814542897,7.529943371,8.204398418,8.912338567,70.292938,2.708050201,0,3.850147602,0,5.105945474,0,6.408528791,0,7.738488122,8.049746291,110.1095504,5.004979566,14.50192071,1.812740089,0,0,0,74,5,3.146,30,1.224714286,2.133910211,3.016914659,3.600614224,4.4151813,5.815019974,6.208628501,0,0,0,78.92388464,93.33631277,88.08868555,66.0040146,112.1052314,70.40295854,6.308363909,0,0,0,290.2780116,373.004549,450.8575028,347.0493504,511.3517512,667.1957159,192.9874216,0,0,0,8.922164331,15.21827776,21.53896839,24.95357486,30.78021446,41.38917225,41.71244707,0,0,0,2.176321134,2.961552888,3.868851764,3.209826371,4.44973989,6.475282404,2.760436353,0,0,0,174.7621987,328.4419769,459.7646175,607.5570321,732.1525128,890.4106734,1148.085005,0,0,0,3.214654762,4.463139751,6.637000879,5.707952139,8.651506436,14.35315722,6.208628501,0,0,0,0.450343929,0.620295997,0.819701911,0.692105356,0.949559508,1.395604794,0.635763559,0,0,0,376.1633088,189.373,13.29997266,211.680873,-106.5671239,-14.87925091,164.4824358,295.9401239,28.17922357,0.639903091,0.322148293,0.022624997,0.360096909,-0.181284645,-0.025311556,221.1254124,111.3218162,7.818311546,124.4353696,-62.64486378,-8.746681073,0.106134764,0.198042146,3.092208485,9.099339467,587.8441817,0,1,0,480.2213113,21.91395243,7.830938437,616.6890656,24.83322503,8.511813174,782.2586088,27.96888644,9.214040505,1.748153027,1.748153027,612.2345023,517.0481653,108.5865002,1.184095687,5.638219309,4.761624734,4.30769398,4.462585949,7.77251563,0.741706652,4.231264441,5.085415371,7.914290896,13.41321447,1.309876703,10.02530709,4.005296738,7.021430812,4.572793539,1.137702872,2.279887433,1.497207057,5.564337661,0.006971944,0.011313408,2.07E-23,7.33E-66,5.00E-130,6.57E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,0.355122119,5.085209014,0.288207882,7.205045568,0.042713435,0.450779435,0.455998534,0.278717648,3.151667923,0.02203788,0.17776244,0.272277156,0.182315892,4.94E-05,7.97E-05,1.46E-25,5.16E-68,3.52E-132,4.63E-218,0,0,0,0,0,0,0,0,0,0,0,1.146325404,5.085223258,1.178116555,7.915031852,0.181078362,1.712030678,0.8958015,1.103694644,3.35978097,0.119521865,0.582779702,0.516509461,0.77610878,5.12E-04,8.30E-04,1.52E-24,5.38E-67,3.67E-131,4.82E-217,0,0,0,0,0,0,0,0,0,0,0,3.993969786,5.085392876,7.211557934,12.83602412,1.189747219,9.193960602,3.687299311,6.413595782,4.456795335,1.023325577,2.142681231,1.42016517,5.056275282,0.006212084,0.010080043,1.85E-23,6.53E-66,4.45E-130,5.86E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,1.689461654,5.085241314,1.986979112,8.567869292,0.311778171,2.783640003,1.282241159,1.833724056,3.526982342,0.225114602,0.867958612,0.685890016,1.333612324,0.001112424,0.00180361,3.31E-24,1.17E-66,7.97E-131,1.05E-216,0,0,0,0,0,0,0,0,0,0,0,5.109859743,5.085509859,10.784007,15.77411764,1.802979727,13.38181598,5.297048912,9.493436057,5.035207632,1.613507579,2.797569084,1.784789011,7.648226858,0.010166942,0.016499543,3.02E-23,1.07E-65,7.29E-130,9.59E-216,3.0E-323,0,0,0,0,0,0,0,0,0,0,2.242353711,3.476656682,2.373230613,9.150867207,0.461616127,3.280984858,1.391199674,2.14348591,4.405864468,0.30211343,1.454716159,0.786662633,1.781501538,0.00167351,0.002714087,4.97E-24,1.76E-66,1.20E-130,1.58E-216,0,0,0,0,0,0,0,0,0,0,0,5.717516235,1.609137186,0.302184559,0.74946096,0.210928216,0.563994215,0.52988804,0.363622336,7.62883798,11.41426952,21.82328642,0.62419144,1.45750459,4.634737302,0.925205097,0.060809844,0.824575982,0.164605209,0.376059927,0.189436598,0.014724949,5.620752242,4.626181803,10.50769168,0.736863974,0.580221473,5.044376273,1.188325613,0.152724779,0.789982649,0.186099641,0.44247442,0.304285364,0.092880603,6.385426665,6.946249544,14.24716375,0.684973974,0.839640388,5.68857274,1.591305438,0.295793949,0.750900071,0.210054687,0.558448271,0.519416023,0.348405165,7.575672126,11.20560065,21.45887554,0.626350107,1.42626946,5.235393819,1.30910174,0.195323205,0.776785549,0.194233968,0.475381653,0.364167684,0.151919562,6.739818765,8.131955008,16.21045323,0.665178324,0.9914689,5.808882845,1.665285244,0.322338569,0.745062257,0.213593769,0.581691994,0.563341501,0.413742906,7.796506658,12.08265953,22.99729121,0.617593385,1.558776401,5.694882669,1.600542785,0.294880122,0.750283715,0.210866713,0.560219229,0.52958778,0.346255762,7.590305577,11.26617932,21.54428871,0.625425573,1.43606277 +UMLMON0153,L,"2,5-dimethyl-1,5-hexadiene",CC(=C)CCC(=C)C,12322,,UML,[1],C8H14,PubChem,,65.5,0,1.2871,1.65662641,36.2764,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1300.504639,1076.576093,846.631972,646.827051,461.161346,157.477824,18.289152,3885.475125,4800.404174,5976.565422,5827.549678,4828.061034,3728.011456,2804.865983,1749.84433,559.5073998,167.819552,166.665724,297.110716,344.4917,353.913232,270.87294,208.387208,166.033152,120.932352,29.42500648,37.33900896,50.46917399,52.23754716,45.43103463,35.07566706,26.7230696,18.69788658,8.003032287,3973.037281,3337.521256,6628.390914,7880.085549,8562.404983,6528.696872,5017.946613,4056.482397,3328.517736,41.52777778,49.5,72.41666667,81.83333333,73.83333333,57.66666667,45,36,18,48.76541633,52.3287937,30.96439617,21.97094067,16.6006269,16.585309,15.37204487,6.561576,1.016064,161.8947969,208.713225,142.2991767,118.9295853,94.66786341,95.59003733,93.49553276,72.9101804,31.08374443,6.992481333,7.246335826,7.074064667,7.030442857,6.939475137,6.94546,6.946240267,6.918048,6.718464,1.226041937,1.623435172,1.201647,1.066072391,0.890804601,0.899376078,0.890768987,0.779078607,0.444612905,165.54322,145.1096198,157.8188313,160.8180724,167.8902938,167.4024839,167.2648871,169.0200999,184.917652,1.730324074,2.152173913,1.724206349,1.670068027,1.447712418,1.478632479,1.5,1.5,1,0.042597834,5.34E-04,-0.012571057,-0.02354656,0.01113114,7.34E-04,-7.59E-04,-0.008166093,0.011343702,645.6853813,-53.80711511,-80.71067267,-269.0355756,40.35533633,-2.74E-13,-40.35533633,-161.4213453,242.132018,1200.679538,-100.0566282,-150.0849423,-500.283141,75.04247115,1.42E-13,-75.04247115,-300.1698846,450.2548269,0.126485333,-0.010540444,-0.015810667,-0.052702222,0.007905333,-7.38E-16,-0.007905333,-0.031621333,0.047432,5.367596186,-0.447299682,-0.670949523,-2.236498411,0.335474762,-2.69E-15,-0.335474762,-1.341899046,2.01284857,29.15686767,-2.429738973,-3.644608459,-12.14869486,1.822304229,2.73E-14,-1.822304229,-7.289216918,10.93382538,3.609953704,-0.891251929,0.718460648,-2.268470293,0.433015046,-0.126591435,0.640335648,-1.498842593,1.188368056,0.00177491,2.32E-05,-2.99E-04,-4.81E-04,2.18E-04,1.88E-05,-2.53E-05,-3.40E-04,6.30E-04,26.90355756,-2.339439787,-1.921682683,-5.49052195,0.791281105,-7.01E-15,-1.345177878,-6.725889389,13.45177878,50.0283141,-4.350288182,-3.573451007,-10.20986002,1.471421003,3.64E-15,-2.501415705,-12.50707852,25.01415705,0.005270222,-4.58E-04,-3.76E-04,-0.001075556,1.55E-04,-1.89E-17,-2.64E-04,-0.001317556,0.002635111,0.223649841,-0.019447812,-0.015974989,-0.045642825,0.006577937,-6.90E-17,-0.011182492,-0.05591246,0.111824921,1.214869486,-0.105640825,-0.086776392,-0.247932548,0.035731455,7.00E-16,-0.060743474,-0.303717372,0.607434743,0.150414738,-0.038750084,0.017106206,-0.046295312,0.008490491,-0.003245934,0.021344522,-0.062451775,0.066020448,0.013090252,-0.168634425,-0.270741673,0.122968313,0.010606145,-0.014246842,-0.191702068,0.355063516,-0.086956522,-0.071428571,-0.204081633,0.029411765,-2.61E-16,-0.05,-0.25,0.5,-0.086956522,-0.071428571,-0.204081633,0.029411765,7.28E-17,-0.05,-0.25,0.5,-0.086956522,-0.071428571,-0.204081633,0.029411765,-3.59E-15,-0.05,-0.25,0.5,-0.086956522,-0.071428571,-0.204081633,0.029411765,-3.09E-16,-0.05,-0.25,0.5,-0.086956522,-0.071428571,-0.204081633,0.029411765,5.76E-16,-0.05,-0.25,0.5,-0.25762159,0.113726927,-0.307784415,0.056447202,-0.021579895,0.141904457,-0.415197179,0.438922732,1.332180143,1.357281851,1.365813411,0.753693676,0.909375461,0.874327482,0.883296614,0.005344343,1.5,1.180803571,1.232142857,0.845588235,0.884615385,0.934375,1.078125,0,1.5,1.180803571,1.232142857,0.845588235,0.884615385,0.934375,1.078125,0,1.5,1.180803571,1.232142857,0.845588235,0.884615385,0.934375,1.078125,0,1.5,1.180803571,1.232142857,0.845588235,0.884615385,0.934375,1.078125,0,1.5,1.180803571,1.232142857,0.845588235,0.884615385,0.934375,1.078125,0,1.70823982,0.806943617,1.424867991,0.744356223,0.898512837,0.725617185,1.592818211,0,37.2538728,18.6269364,29.46437487,37.2538728,4.6567341,18.62693643,0,0.152176307,0.019022038,-1.506172411,117.2294631,14.65368288,3.81130659,37.2538728,18.6269364,29.46437487,37.2538728,4.6567341,18.62693643,0,0.152176307,0.019022038,-1.506172411,117.2294631,14.65368288,3.81130659,37.2538728,18.6269364,29.46437487,37.2538728,4.6567341,18.62693643,0,0.152176307,0.019022038,-1.506172411,117.2294631,14.65368288,3.81130659,37.2538728,18.6269364,29.46437487,37.2538728,4.6567341,18.62693643,0,0.152176307,0.019022038,-1.506172411,117.2294631,14.65368288,3.81130659,37.2538728,18.6269364,29.46437487,37.2538728,4.6567341,18.62693643,0,0.152176307,0.019022038,-1.506172411,117.2294631,14.65368288,3.81130659,37.2538728,18.6269364,29.46437487,37.2538728,4.6567341,18.62693643,0,0.152176307,0.019022038,-1.506172411,117.2294631,14.65368288,3.81130659,42.81395947,21.33406307,34.46307057,42.70458447,5.338073059,21.33406307,-0.145833333,0.23781305,0.029726631,-1.149016334,29.4050585,3.675632312,2.704933374,0,11.89,12.11011416,-0.173262233,0.049716441,5.148838661,7.613982403,7,23,22,22,6,1,1,0,0,1,17.491312,3.562470018,3.236379977,2.693124251,2.333552793,2.09525884,1.567614257,1.190357327,0.354660587,1.905810649,1.724255375,1.393573128,1.249629723,0.984731436,0.668813277,0.519142968,0.083923071,3.583519303,3.269735863,2.743313396,2.405454588,2.161998246,1.655758046,1.306821571,0.480308841,1.851662065,1.654143448,1.298572975,1.134540686,0.86938415,0.533596664,0.368612553,0.270913902,3.679796034,3.415958743,2.960625058,2.704236987,2.446001513,2.020044381,1.767326116,0.959218208,1.699737379,1.445002078,1.00302623,0.76031856,0.500342653,0.087775106,0.150423952,0.943918427,3.599226415,3.294295873,2.780167495,2.457539916,2.210765292,1.719568294,1.389852349,0.569017035,1.817803255,1.609224769,1.236622823,1.058262671,0.793364165,0.443539047,0.266675219,0.399277246,3.728855742,3.486696067,3.063354135,2.838982085,2.57703404,2.182365302,1.962850134,1.207644823,1.654829125,1.379012473,0.906271989,0.631337262,0.375813069,0.068349439,0.341520314,1.150770421,3.624213454,3.300568446,2.833280786,2.601972834,2.29631296,1.787556062,1.462759614,0.670046087,1.810205253,1.554447278,1.162800176,0.907855187,0.693774026,0.337571058,0.157116089,0.564705882,0,0,0,1,1,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.288675135,0,0,0,0.288675135,0.204124145,0.144337567,0.204124145,0.144337567,0.102062073,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,6.198670613,3.404030206,2.42370294,1.110263394,0.594861352,0.306186218,0.204124145,0,0.774833827,0.486290029,0.346243277,0.222052679,0.148715338,0.102062073,0.102062073,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,3,0,1,0,0,0,0,0,0,0,0,3,0,3,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.738148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.278541667,0,0,0.97625,0.870833333,0,0.278541667,0,0,0,0,0,0,0,0,6.518009259,0,3.910509259,0,2.295138889,0,0,0,0,1.443009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.443009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.278541667,0,0,0.216944444,0.290277778,0,0.278541667,0,0,0,0,0,0,0,0,2.148472222,0,1.262731481,0,2.295138889,0,0,0,0,1.443009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.295138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.278541667,0,0,0.290277778,0.290277778,0,0.278541667,0,0,0,0,0,0,0,0,2.221064815,0,1.338472222,0,2.295138889,0,0,0,0,1.443009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.16666667,1.770833333,0.290277778,2.295138889,0.064652778,1.262731481,5.139820046,0.237268519,0.295138889,1.626296296,0.237268519,0.295138889,1.626296296,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.375,0.125,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.31073,0.91384,8.40872,1.09799,0.13725,3.17869,0.39734,3.77005,0.59135,0.07392,0.14395,0.01799,0.14395,0.01799,0,7,0,0,0,0,0,0,0.75,0.918295834,1.976489212,3.240601563,3.40726823,3.40726823,3.216228125,22.03910002,47.43574108,77.77443751,81.77443751,81.77443751,77.18947501,0.200284263,0.43108078,0.706789109,0.743139825,0.743139825,0.701473158,3.666666667,2.608473289,1.344360938,1.177694271,1.177694271,1.368734375,0.200284263,0.43108078,0.706789109,0.743139825,0.743139825,0.701473158,6.73287657,16.95949615,19.1495148,19.31748564,19.31748564,17.02500439,31.59900002,18.30285172,17.09924844,16.57092761,16.57092761,15.42468698,8,5.142857143,7.2,8,2,7,2.34,1.1928,0.721124785,4.146039495,1.754410643,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,3.683,7,5,4,3,2,0,0,0,0,36,2.197224577,2.397895273,2.197224577,2.079441542,1.945910149,1.609437912,0,0,0,0,3.951243719,1.416666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,0,144.287877,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,112.1252005,4.671883355,14.66595917,1.833244896,0,0,0,79,5,3.974,28,1.214424913,2.102604245,2.94089802,3.64643414,4.718525548,5.838247145,6.853176859,7.835022029,0,0,74.53423746,75.03306125,75.0365562,75.51553379,93.97275214,103.7857572,48.46061148,7.960883823,0,0,279.1322503,327.8705673,377.4795126,392.6195405,503.0635733,592.7020338,526.0117219,243.5418224,0,0,8.835280726,14.94022287,20.73038215,25.43046882,32.91900335,40.68727757,47.53631912,52.63931344,0,0,2.110795101,2.702553045,3.298155924,3.551779829,4.582970057,5.507058902,5.549834544,3.483551904,0,0,174.0363473,327.0463469,469.147224,602.8554423,778.9209637,966.5384468,1148.311191,1448.833877,0,0,2.702301601,3.794011193,5.048209789,5.561324372,7.315059094,9.112860318,10.594702,7.835022029,0,0,0.437466512,0.569688156,0.702340523,0.762070998,0.984187138,1.186185166,1.21659917,0.802306256,0,0,369.1506195,169.1793909,10.05602302,103.3402687,-47.36019064,-6.373785197,265.8103508,216.5395815,16.42980822,0.781286219,0.358058526,0.021282999,0.218713781,-0.100235141,-0.013489753,174.4203041,79.93572066,4.751379248,48.82733534,-22.37725854,-3.011555429,0.124691145,0.186095391,1.712981017,1.644538197,472.4908882,0,1,0,457.8376148,21.39714034,7.707327678,617.9871818,24.85934798,8.517781378,716.3590603,26.76488484,8.947676062,2.104289002,2.104289002,817.280524,752.8137777,83.52206639,1.085634387,9.785204788,9.013351922,4.564693326,4.642480132,9.034087093,0.94596139,6.498765626,5.981505575,2.569189578,21.19632753,10.49277205,5.854474111,5.575490017,9.654718939,10.5744674,2.595242407,4.956112392,5.492879021,4.607654025,5.489072651,1.556980064,0.58062507,1.780716493,7.47E-10,6.04E-41,9.43E-94,2.84E-168,1.65E-264,0,0,0,0,0,0,0,0,0.545401471,5.972758138,0.21047993,6.937440382,1.135401343,0.332934473,0.807320626,1.195931331,3.29104436,0.141729189,0.23828052,0.339737554,0.239665396,1.27077371,0.04918639,0.036377519,0.012541732,5.26E-12,4.25E-43,6.64E-96,2.00E-170,1.16E-266,0,0,0,0,0,0,0,0,1.760610016,5.973342811,0.682838039,8.092908366,1.954693872,1.178603919,1.665648458,2.045721564,4.279574087,0.345276976,0.884260673,1.112350491,0.856655022,2.090469318,0.212469261,0.125569044,0.130694516,5.48E-11,4.43E-42,6.92E-95,2.08E-169,1.21E-265,0,0,0,0,0,0,0,0,6.134304939,5.980545237,2.421570081,19.70252132,9.534050604,5.416901355,5.242918056,8.826685091,9.952344645,2.339877021,4.555135424,5.078616897,4.243100978,5.216203458,1.413558253,0.539558775,1.586586336,6.65E-10,5.38E-41,8.40E-94,2.53E-168,1.47E-264,0,0,0,0,0,0,0,0,2.594812586,5.974100733,1.009800481,9.407218974,2.840977672,1.842681336,2.288996778,2.889424496,5.106086392,0.573270748,1.42183854,1.725641077,1.361736445,2.665442071,0.367459894,0.193299091,0.283885952,1.19E-10,9.63E-42,1.50E-94,4.52E-169,2.62E-265,0,0,0,0,0,0,0,0,7.848199507,5.985543633,3.119415313,27.43219049,14.48061236,7.587638415,6.853029808,13.07275635,13.07801163,3.66015025,6.568092839,7.13887439,6.067734027,6.515993398,2.146044585,0.741472175,2.597007651,1.09E-09,8.81E-41,1.37E-93,4.14E-168,2.40E-264,0,0,0,0,0,0,0,0,3.771411295,5.485138536,1.362466998,11.8303224,4.437614313,2.947013149,2.986374313,4.052494917,6.571879652,0.951345208,2.122946637,2.690207708,2.056477237,3.98437808,0.65504535,0.319085984,0.56785755,2.38E-10,1.93E-41,3.01E-94,9.05E-169,5.25E-265,0,0,0,0,0,0,0,0,7.983591842,1.277832988,0.393903526,0.826858658,0.13234485,0.596881979,0.542699391,0.499966897,9.655328356,13.84980491,27.52361769,0.740287986,1.639548267,6.641448482,0.660612691,0.084919389,0.899074856,0.089429326,0.412794316,0.144368001,0.023236742,7.386980562,5.007511723,12.76706975,0.848612283,0.58039906,7.174323902,0.905932917,0.207637859,0.865638884,0.109307967,0.481805851,0.272167996,0.138923142,8.287894678,8.177223403,17.81465124,0.798458326,0.892896989,7.950347107,1.2625694,0.386253949,0.828232725,0.131529011,0.59191054,0.529779002,0.480736813,9.599170456,13.59639036,27.0727258,0.742349088,1.602426355,7.411928679,1.015201969,0.262338532,0.852978303,0.116831299,0.514307868,0.34206316,0.221761261,8.68946918,9.73536567,20.39882857,0.779467455,1.078132289,8.087677184,1.325614256,0.417852308,0.822658827,0.134838254,0.612582284,0.584148952,0.562609583,9.831143748,14.65450573,28.96550264,0.73398824,1.759340818,7.966966628,1.264913134,0.386490285,0.828307352,0.131510134,0.594394277,0.531767546,0.481325288,9.618370048,13.64555257,27.15878649,0.742461028,1.60748711 +UMLMON0154,L,2-methyl-2-heptene,CCCCC=C(C)C,12330,[9] has RON of 79.8,UML,[1],C8H16,PubChem,,75.2,0,1.0604,1.12444816,30.368,15.894344,0,0,14,6,8,0,6,0,0,0,0,0,0,0,0,0,873.713238,962.44143,1061.330262,636.666411,107.017344,6.096384,0,0,0,2789.771366,3458.994341,4439.054761,3417.174011,1228.730375,186.5024666,0,0,0,98.990808,102.184152,172.562136,203.6883,124.125696,40.310784,0,0,0,20.29030324,25.64175448,35.43933477,30.62953801,13.35448353,2.667677429,0,0,0,2240.107353,1985.746518,3580.562204,4679.520352,3074.156902,1109.505912,0,0,0,28.5,34,52,50.25,24,6,0,0,0,62.40808843,68.74581643,44.22209425,21.95401417,5.945408,1.016064,0,0,0,199.2693833,247.0710244,184.9606151,117.8335866,68.26279863,31.08374443,0,0,0,7.070772,7.298868,7.190089,7.023734483,6.895872,6.718464,0,0,0,1.449307374,1.831553891,1.476638949,1.056190966,0.741915752,0.444612905,0,0,0,160.0076681,141.839037,149.1900918,161.3627708,170.7864946,184.917652,0,0,0,2.035714286,2.428571429,2.166666667,1.732758621,1.333333333,1,0,0,0,0.046692287,-0.001885002,-0.024380482,-0.009550722,0.001034338,0.011435724,0,0,0,415.0834594,2.77E-13,-192.7173204,-133.4196834,-14.82440927,133.4196834,0,0,0,771.8654175,1.85E-13,-358.3660867,-248.0995985,-27.56662205,248.0995985,0,0,0,0.081312,1.25E-15,-0.037752,-0.026136,-0.002904,0.026136,0,0,0,3.450597548,-1.67E-16,-1.602063147,-1.10912064,-0.123235627,1.10912064,0,0,0,18.74370065,2.89E-14,-8.702432443,-6.024760922,-0.66941788,6.024760922,0,0,0,2.714285714,0.071428571,-1.510204082,-0.836734694,0.153061224,0.765306122,0,0,0,0.003335163,-1.35E-04,-0.001015853,-3.29E-04,5.75E-05,0.001905954,0,0,0,29.64881853,1.98E-14,-8.029888352,-4.600678738,-0.823578293,22.2366139,0,0,0,55.13324411,1.32E-14,-14.93192028,-8.555158568,-1.531479003,41.34993308,0,0,0,0.005808,8.92E-17,-0.001573,-9.01E-04,-1.61E-04,0.004356,0,0,0,0.246471253,-1.19E-17,-0.066752631,-0.038245539,-0.006846424,0.18485344,0,0,0,1.33883576,2.06E-15,-0.362601352,-0.207750377,-0.037189882,1.00412682,0,0,0,0.193877551,0.005102041,-0.06292517,-0.02885292,0.008503401,0.12755102,0,0,0,-0.040370733,-0.3045888,-0.098746358,0.01722951,0.571472439,0,0,0,6.68E-16,-0.270833333,-0.155172414,-0.027777778,0.75,0,0,0,2.39E-16,-0.270833333,-0.155172414,-0.027777778,0.75,0,0,0,1.54E-14,-0.270833333,-0.155172414,-0.027777778,0.75,0,0,0,-4.83E-17,-0.270833333,-0.155172414,-0.027777778,0.75,0,0,0,1.54E-15,-0.270833333,-0.155172414,-0.027777778,0.75,0,0,0,0.026315789,-0.324561404,-0.148820327,0.043859649,0.657894737,0,0,0,1.078164008,1.349279935,1.048472548,0.728737864,0,0,0,0,1.083333333,1.263888889,1.045977011,0.842592593,0,0,0,0,1.083333333,1.263888889,1.045977011,0.842592593,0,0,0,0,1.083333333,1.263888889,1.045977011,0.842592593,0,0,0,0,1.083333333,1.263888889,1.045977011,0.842592593,0,0,0,0,1.083333333,1.263888889,1.045977011,0.842592593,0,0,0,0,1.026315789,1.396929825,1.073502722,0.665204678,0,0,0,0,15,7.5,11.5,15,2.5,7.501971149,-1.78E-15,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,15,7.5,11.5,15,2.5,7.501971149,-1.78E-15,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,15,7.5,11.5,15,2.5,7.501971149,-1.78E-15,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,15,7.5,11.5,15,2.5,7.501971149,-1.78E-15,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,15,7.5,11.5,15,2.5,7.501971149,-1.78E-15,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,15,7.5,11.5,15,2.5,7.501971149,-1.78E-15,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,16.21114958,7.966685902,12.36483405,16.17411254,2.695685424,7.967926453,-0.111111111,7.22E-16,1.20E-16,-20.91899904,4000004,666667.3333,9.121083551,0,11.8,12.2000406,-0.283910476,0.116140617,6.469625,6.892446621,6,14,12,12,4,2,2,0,0,2,8.745656,3.651216332,2.78450423,2.575436568,1.397562325,0.86540559,0.688243524,0.083923071,0.083923071,1.936543057,1.224439863,1.195696082,0.573504456,0.286367597,0.24227909,0.083923071,0.083923071,3.669512741,2.808317244,2.618897294,1.491194037,0.985397903,0.832040601,0.270913902,0.270913902,1.892596353,1.131777236,1.128697564,0.4307273,0.12318978,0.072888175,0.270913902,0.270913902,3.751324343,2.920211412,2.812965486,1.88172052,1.473624795,1.383117029,0.943918427,0.943918427,1.767959019,0.943919931,0.851903085,0.045499794,0.437920577,0.520908638,0.943918427,0.943918427,3.683058556,2.826249575,2.65114032,1.559288667,1.07208815,0.933369068,0.399277246,0.399277246,1.865043076,1.087024467,1.071994059,0.335125384,0.012758767,0.042414889,0.399277246,0.399277246,3.792101957,2.978812762,2.907866796,2.056040928,1.684196176,1.610293121,1.207644823,1.207644823,1.730364943,0.890764915,0.763549211,0.213281109,0.643045624,0.744909534,1.207644823,1.207644823,3.707549542,2.925315304,2.606599917,1.609149698,1.201343608,1.061896424,0.545454545,0.545454545,1.840780113,1.082739379,0.979193534,0.241929791,0.125261895,0.180253701,0.545454545,0.545454545,0,0,0,4,0,0,2,0,0,0,0,0,0.125,0,0,0,0,0.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,3.723614639,2.299659829,1.414213562,0.877664387,0.54203502,0.333333333,0,0,0.62060244,0.383276638,0.23570226,0.146277398,0.09033917,0.055555556,0,0,8.167311215,13.55134741,12.90196078,13.04,9.194217964,105.5984096,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,1.74498,26.974,21,27,42,7,21,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,36,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,2,0,4,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.722222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.438888889,0,0,0,0.761111111,0,1.438888889,0,0,0,0,0,0,0,0,0,0,2.277777778,0,8.722222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0,0,0.380555556,0,0.359722222,0,0,0,0,0,0,0,0,0,0,1.138888889,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0,0,0.380555556,0,0.359722222,0,0,0,0,0,0,0,0,0,0,1.138888889,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.380555556,2.180555556,0.359722222,1.138888889,3.540111111,0.361111111,0.180555556,1.444444444,0.361111111,0.180555556,1.444444444,3,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0,0,0,5,0.83333,3,0.5,2,0.33333,-1,-0.16667,0,0,3.20465,0.53411,5,1.79535,0.29922,1.91421,0.31904,3,1.08579,0.18096,-0.086,-0.01433,0,0,0.428571429,6,0,0,0,0,0,0,0.333333333,0.985228136,1.950212065,1.950212065,1.950212065,1.950212065,1.950212065,13.7931939,27.30296891,27.30296891,27.30296891,27.30296891,27.30296891,0.258769712,0.512222292,0.512222292,0.512222292,0.512222292,0.512222292,2.822126786,1.857142857,1.857142857,1.857142857,1.857142857,1.857142857,0.246307034,0.487553016,0.487553016,0.487553016,0.487553016,0.487553016,6.75154531,12.05010962,12.05010962,12.05010962,12.05010962,12.05010962,22.55053414,21.3369963,21.3369963,21.3369963,21.3369963,21.3369963,4.166666667,2.222222222,1.333333333,0,2,0,2.12,0.7594,0,0,0,0,9.125465128,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.115,0.112,0.477,0.52,3.004,6,6,6,6,0,0,0,0,0,36,2.197224577,2.397895273,2.564949357,2.833213344,3.044522438,0,0,0,0,0,4.290459441,2,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,13,18,3,9.000420062,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,0,94.70299035,3.584962501,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,65.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921172722,80.06260026,5.718757161,11.8125,1.96875,0,0,0,27,3,2.76,24,1.278845043,2.2770053,3.089788061,4.038656586,4.555454764,0,0,0,0,0,100.8926929,110.2353161,67.11151225,22.96312626,4.628633589,0,0,0,0,0,346.2869042,445.6602336,370.8222624,267.7830463,141.6005917,0,0,0,0,0,9.375647173,16.41632717,21.75262506,27.8123291,30.60565884,0,0,0,0,0,2.506788799,3.503500714,3.331373449,2.933114857,2.025413976,0,0,0,0,0,178.8047956,336.6729662,494.4021489,692.7533068,842.3839989,0,0,0,0,0,3.232064494,5.056255723,5.434434786,5.32436844,4.555454764,0,0,0,0,0,0.515346051,0.731471187,0.712398491,0.647538629,0.466478568,0,0,0,0,0,226.6403845,83.56119038,10.42669045,88.99968363,-32.81374378,-5.882894554,137.6407009,116.3749342,16.309585,0.718034266,0.264735687,0.033033482,0.281965734,-0.103959374,-0.018637984,71.53678641,26.37525983,3.291081283,28.09186621,-10.35733232,-1.856877238,0.155174427,0.227587741,3.98202034,4.917084024,315.6400681,0,1,0,408.9438978,20.22236133,7.422574706,487.2894356,22.07463331,7.869171288,595.2610613,24.39797248,8.412062513,1.112675271,1.050926565,199.4273886,109.1072508,104.1055791,1.827810592,1.915626332,1.048044223,3.210631455,3.915300274,4.993676917,0.275426294,2.557984613,0.257945033,6.888108942,5.492687565,2.191802853,2.333973162,5.883262652,2.334835678,2.721071645,7.91E-12,1.05E-44,2.87E-99,1.52E-175,1.55E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.214808466,0.257860375,0.87030454,0.662293357,1.037833122,0.16292089,0.306727785,0.016444453,0.01916473,5.57E-14,7.40E-47,2.02E-101,1.07E-177,1.09E-275,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.693100673,0.257866251,2.088247157,1.590883995,1.126080273,0.547642361,1.113383325,0.171363766,0.199711264,5.81E-13,7.71E-46,2.11E-100,1.12E-176,1.14E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.414537048,0.257935816,6.516017175,5.17666956,2.069046846,2.18038997,5.42455002,2.080296564,2.424425847,7.05E-12,9.36E-45,2.56E-99,1.35E-175,1.38E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.021433278,0.257873671,2.927420364,2.245374358,1.230396388,0.829092621,1.765596098,0.372224962,0.433799551,1.26E-12,1.67E-45,4.58E-100,2.42E-176,2.48E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.089106378,0.257983742,8.269982557,6.685814497,2.705480997,2.926095147,7.714878432,3.405138358,3.968427264,1.15E-11,1.53E-44,4.19E-99,2.22E-175,2.26E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.356233524,0.246099228,4.110975339,3.11639327,1.182469529,1.114366256,2.575110362,0.694661882,0.809575035,2.35E-12,3.12E-45,8.55E-100,4.52E-176,4.62E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.194041394,1.838305441,0.332277699,0.502687316,0.421182951,0.548441493,0.449672453,0.255220347,4.364624534,5.373177162,11.0779834,0.385805401,1.253334292,1.276568812,1.214122285,0.086984294,0.49524033,0.471014422,0.185679502,0.196139311,0.017485385,2.577675391,1.76656165,4.479054924,0.449382129,0.399304197,1.597587041,1.432520674,0.172811615,0.498790908,0.447254684,0.29079791,0.273059842,0.069023211,3.20291933,2.812214273,6.410626199,0.419068388,0.632880963,2.166390095,1.81949349,0.32488497,0.502553099,0.422080997,0.534705678,0.440516167,0.243988813,4.310768555,5.236686343,10.8280646,0.386951144,1.219210658,1.757488466,1.5413062,0.215562505,0.500088176,0.438574147,0.351917188,0.31610847,0.107403057,3.51435717,3.419924309,7.5182032,0.407993485,0.775428715,2.282629437,1.898574355,0.355962191,0.503095863,0.418449394,0.593620692,0.479641154,0.292905454,4.537165984,5.822092177,11.90190636,0.382317886,1.3661673,2.159501547,1.824674567,0.324720882,0.501172701,0.423466741,0.531315837,0.443034804,0.243740745,4.308896995,5.234132729,10.82255584,0.386959163,1.218091386 +UMLMON0155,L,"1,4-cyclohexadiene",C1C=CCC=C1,12343,,UML,[1],C6H8,PubChem,,39.9,0,-0.2734,0.07474756,30.1747,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1179.348079,1164.28335,1010.029949,815.305348,618.548619,421.79189,225.035161,50.46048,3823.307636,4570.930941,5543.450159,5325.632446,4381.00159,3374.203245,2367.4049,1360.606555,521.1139543,154.382624,152.43046,269.813976,342.096692,292.64872,229.76382,166.87892,103.99402,41.907456,28.53578067,35.11192034,47.01536668,48.22395873,40.09165568,31.07012682,22.04859796,13.0270691,5.34340305,3603.201977,3031.276161,5915.048498,8070.856175,6961.736324,5482.781169,4003.826014,2524.870859,982.3254949,51.5,50.75,67.5,80.25,70,57.75,46,33,16,53.10626655,56.15943233,30.63903553,20.6128561,19.4120321,18.74389755,17.57466208,15.00234407,8.41008,173.7867107,217.6633782,145.8802673,108.6863765,104.3095617,102.2485832,98.64187085,90.70710369,86.85232572,7.017392,7.258593333,7.100367789,6.981565143,6.967826667,6.96254,6.953288333,6.932934667,6.984576,1.297080939,1.671996207,1.237246492,0.984162423,0.95456323,0.941518994,0.918691582,0.868471273,0.890567175,163.781908,144.3464838,155.659171,164.7113505,165.7556268,166.1448839,166.8260839,168.3247239,163.7209158,2.340909091,2.416666667,1.776315789,1.637755102,1.666666667,1.75,1.916666667,2.2,2.666666667,0.066170033,-0.006401259,-0.030620264,-0.003615239,0.0040653,3.84E-04,0.005059751,-6.45E-04,-0.009823631,616.3360458,-49.02673092,-250.1363822,-19.01036505,12.00654635,11.00600082,10.00545529,9.00490976,-80.04364231,1146.103196,-91.16729966,-465.139284,-35.35058558,22.32668563,20.46612849,18.60557136,16.74501422,-148.8445709,0.120736,-0.009604,-0.049,-0.003724,0.002352,0.002156,0.00196,0.001764,-0.01568,5.123614541,-0.407560248,-2.079389018,-0.158033565,0.099810673,0.091493117,0.083175561,0.074858005,-0.665404486,27.8315555,-2.213873733,-11.29527415,-0.858440835,0.542173159,0.496992063,0.451810966,0.406629869,-3.614487728,10.59090909,1.16322314,-0.929752066,-0.452479339,-0.537190083,-0.886363636,-0.73553719,-0.47107438,-2.842975207,0.003007729,-3.05E-04,-8.06E-04,-7.38E-05,9.68E-05,1.16E-05,2.11E-04,-4.30E-05,-0.001637272,28.01527481,-2.334606234,-6.582536375,-0.387966634,0.285870151,0.333515176,0.41689397,0.600327317,-13.34060705,52.0955998,-4.341299984,-12.24050747,-0.721440522,0.531587753,0.620185712,0.77523214,1.116334282,-24.80742848,0.005488,-4.57E-04,-0.001289474,-7.60E-05,5.60E-05,6.53E-05,8.17E-05,1.18E-04,-0.002613333,0.23289157,-0.019407631,-0.054720764,-0.003225175,0.002376445,0.002772519,0.003465648,0.004990534,-0.110900748,1.265070705,-0.105422559,-0.297244057,-0.017519201,0.012908885,0.015060366,0.018825457,0.027108658,-0.602414621,0.481404959,0.055391578,-0.02446716,-0.009234272,-0.01279024,-0.026859504,-0.030647383,-0.031404959,-0.473829201,-0.1013462,-0.267908605,-0.02453027,0.032181378,0.00386842,0.070093735,-0.014302925,-0.5443549,-0.083333333,-0.234962406,-0.013848397,0.010204082,0.011904762,0.014880952,0.021428571,-0.476190476,-0.083333333,-0.234962406,-0.013848397,0.010204082,0.011904762,0.014880952,0.021428571,-0.476190476,-0.083333333,-0.234962406,-0.013848397,0.010204082,0.011904762,0.014880952,0.021428571,-0.476190476,-0.083333333,-0.234962406,-0.013848397,0.010204082,0.011904762,0.014880952,0.021428571,-0.476190476,-0.083333333,-0.234962406,-0.013848397,0.010204082,0.011904762,0.014880952,0.021428571,-0.476190476,0.115062334,-0.050824486,-0.019181922,-0.026568567,-0.055793991,-0.063662375,-0.065236052,-0.984263233,1.126897613,1.017198099,0.694134128,0.786246664,0.911203435,1.039255213,1.568208123,3.053577917,1.375,1.302631579,0.926020408,0.883928571,0.875,0.859375,0.825,1.375,1.375,1.302631579,0.926020408,0.883928571,0.875,0.859375,0.825,1.375,1.375,1.302631579,0.926020408,0.883928571,0.875,0.859375,0.825,1.375,1.375,1.302631579,0.926020408,0.883928571,0.875,0.859375,0.825,1.375,1.375,1.302631579,0.926020408,0.883928571,0.875,0.859375,0.825,1.375,0.849785408,0.54788796,0.728387492,0.826180258,1.021459227,1.321888412,1.916738197,4.626609442,40.98770734,20.49385367,33.35390971,40.98770734,5.123463417,20.49385367,1.07E-14,0.072265229,0.009033154,-2.101929756,32.6354243,4.079428038,2.788318667,40.98770734,20.49385367,33.35390971,40.98770734,5.123463417,20.49385367,1.07E-14,0.072265229,0.009033154,-2.101929756,32.6354243,4.079428038,2.788318667,40.98770734,20.49385367,33.35390971,40.98770734,5.123463417,20.49385367,1.07E-14,0.072265229,0.009033154,-2.101929756,32.6354243,4.079428038,2.788318667,40.98770734,20.49385367,33.35390971,40.98770734,5.123463417,20.49385367,1.07E-14,0.072265229,0.009033154,-2.101929756,32.6354243,4.079428038,2.788318667,40.98770734,20.49385367,33.35390971,40.98770734,5.123463417,20.49385367,1.07E-14,0.072265229,0.009033154,-2.101929756,32.6354243,4.079428038,2.788318667,40.98770734,20.49385367,33.35390971,40.98770734,5.123463417,20.49385367,1.07E-14,0.072265229,0.009033154,-2.101929756,32.6354243,4.079428038,2.788318667,66.08619873,32.34516094,53.85219756,65.60286539,8.200358174,32.34516094,-0.966666667,0.130289162,0.016286145,-1.630399181,33.42189358,4.177736698,2.807368945,0,11.69,12.31003934,-0.42298357,0.197214494,4.303055109,7.105963639,7,21,20,20,6,0,0,1,0,1,15.304898,3.501656631,3.262054573,2.855034817,2.340964818,1.818129763,1.394676134,1.1387503,0.309280163,1.89553741,1.681014114,1.383208254,1.082583786,0.828492947,0.637263069,0.524986126,0.083923071,3.526363255,3.288099724,2.891722952,2.3959536,1.89703543,1.498791624,1.261553679,0.443798515,1.83565292,1.615221419,1.307157659,0.985681691,0.703285697,0.491352246,0.368569834,0.270913902,3.639331989,3.405843108,3.050937162,2.631482646,2.228123674,1.920436488,1.743536691,0.956385838,1.662555825,1.430127078,1.082268459,0.676798203,0.290425354,0.002719486,0.170806825,0.943918427,3.544827076,3.307430318,2.918652159,2.436221305,1.954469589,1.573667286,1.348843628,0.538809313,1.79772084,1.57398301,1.258737904,0.921935964,0.619749297,0.393164647,0.262688294,0.399277246,3.696284651,3.465588269,3.127129879,2.740849708,2.377714939,2.103799317,1.94702925,1.207644823,1.610136364,1.375422734,1.010955214,0.573055757,0.147120341,0.180577452,0.369975265,1.16125544,3.790990452,3.301858396,2.939052712,2.441938427,1.946032126,1.568336393,1.354386427,0.692360567,1.919368775,1.603310724,1.189891974,0.79128148,0.493474731,0.318775731,0.218852085,0.5,1,1,0,0,0,1,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.612884175,3.349335306,2.014784317,1.174667653,0.653838768,0.337333827,0.139419384,0.051031036,0.701610522,0.478476472,0.335797386,0.234933531,0.163459692,0.112444609,0.069709692,0.051031036,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.66959,36.947,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,1,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,6,1,0,0,0,0,0,0,0,0,0,0,1,0,5,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561288974,0,0,7.687335601,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561288974,0,0,0,0,1.594609552,0.380555556,0,0,0,0,0,0,0,0,0,0,2.204240363,0,6.108424036,5.06074263,0,0,0,0,2.626592971,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561288974,0,0,2.626592971,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561288974,0,0,0,0,0.218016582,0.380555556,0,0,0,0,0,0,0,0,0,0,2.204240363,0,0.958333333,5.06074263,0,0,0,0,2.626592971,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561288974,0,0,5.06074263,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561288974,0,0,0,0,0.380555556,0.380555556,0,0,0,0,0,0,0,0,0,0,2.204240363,0,1.335,5.06074263,0,0,0,0,2.626592971,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,2,0.561288974,5.06074263,0.218016582,0.958333333,4.847287687,0.541666667,1.06074263,2.783151927,0.541666667,1.06074263,2.783151927,4,0.5,0,0,0.44545,0.7,0.42308,0.42308,0.7,0.02238,0.02238,0,0,0.71429,0,0,0.25,0,0,5.5,0.6875,3.5,0.4375,2,0.25,-1.5,-0.1875,0,0,6.25508,0.78188,7.95768,1.7026,0.21283,3.17836,0.3973,3.91421,0.73585,0.09198,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,1,0.945660305,1.909171785,2.970573096,3.390805482,3.11353887,2.895505621,20.8045267,42.00177927,65.35260811,74.59772061,68.49785514,63.70112365,0.212058483,0.428119982,0.666132671,0.760367188,0.698191863,0.649299253,3.513771314,2.550259833,1.488858523,1.068626137,1.345892749,1.563925998,0.209052139,0.422050544,0.656688938,0.749587497,0.688293628,0.640094167,6.786633838,15.75199389,19.8195666,18.86662344,15.96649656,18.36744784,31.28312609,21.63003896,17.32440458,18.19081909,22.08604088,19.43655014,8,7,7.2,8,2,8,2.34,1.1498,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.085,0.106,0.096,0.236,0.184,3.278,6,5,4,3,2,1,0,0,0,36,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,0,0,0,3.931825633,1.388888889,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,5,0.714285714,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,141.6514183,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,110.1095504,5.004979566,14.83110795,1.853888494,0,0,0,84,5,3.757,26,1.231238095,2.147854781,2.901329138,3.673667757,4.975630376,6.054506166,7.351678726,8.804398433,9.691616274,0,79.70770648,74.17536608,72.02381284,90.81492161,109.8526505,124.0809616,122.5762112,74.86910971,9.847302398,0,292.6733596,336.8430026,347.495688,446.5662818,560.0132218,654.9118249,709.8567202,770.8929973,301.2517234,0,8.970853788,15.30229913,20.31766333,25.77201657,34.77484566,42.25849982,51.09812682,61.52462483,65.11277504,0,2.192520915,2.799766238,3.043324385,3.916871522,5.009342412,5.936235431,6.671353127,7.890570727,4.309017664,0,175.620724,330.6353515,473.5971949,595.9238046,816.9653639,998.1317097,1227.691424,1439.103658,1792.150926,0,3.030547619,3.966364773,4.955395511,6.563890727,9.143904942,12.21867053,16.91505556,23.50671583,9.691616274,0,0.453629643,0.590642631,0.649284717,0.835472457,1.072492148,1.273749112,1.440312963,1.71944285,0.992421506,0,385.3307707,190.7938327,15.2888325,214.5427003,-106.2293156,-17.412782,170.7880704,297.0231483,32.70161451,0.642353412,0.318056793,0.025486762,0.357646588,-0.177086204,-0.029027425,231.1497068,114.4521586,9.171365019,128.6984743,-63.72414827,-10.44546598,0.249058451,0.241647419,12.81552284,11.54361843,599.8734709,0,1,0,475.0763511,21.79624626,7.802871785,611.1079801,24.7205983,8.48605779,705.7968942,26.56683824,8.9034826,2.816948797,2.816948797,912.5979228,881.837284,50.77765269,1.034882443,17.97243225,17.36664137,4.43367814,5.645455692,10.0483478,0.779900216,4.081736643,5.656828977,2.379319309,19.78143002,7.876493693,2.604267173,3.530276234,7.228041612,8.944197005,0.632761025,4.868511948,4.926257734,3.791462088,2.176761048,1.727059559,1.758529162,1.838471724,0.282775253,1.583117746,2.77E-09,9.32E-40,6.06E-92,7.60E-166,1.84E-261,0,0,0,0,0,0,0.352785717,5.656557618,0.173233238,4.853890686,0.05874647,1.129130348,0.472320222,0.263443287,3.386946845,0.023210782,1.098361112,0.267905502,0.137359549,0.699145326,0.144940147,0.661177082,0.080993355,0.023731368,0.011150028,1.95E-11,6.57E-42,4.27E-94,5.35E-168,1.29E-263,0,0,0,0,0,0,1.113944099,5.656576268,0.576644386,5.929233404,0.586429744,1.420567081,1.096197947,1.076542382,4.20431797,0.094624231,1.72055741,0.946926396,0.562536758,1.000746678,0.467884449,0.745234566,0.309753798,0.076607747,0.116191886,2.03E-10,6.84E-41,4.45E-93,5.58E-167,1.35E-262,0,0,0,0,0,0,3.853452939,5.656799367,2.227673324,18.17005946,7.020043505,2.510539378,3.342958465,6.586398294,8.491848362,0.576692056,4.585570731,4.544905893,3.454306443,2.086298397,1.630203342,1.64184552,1.68489812,0.266916772,1.41052941,2.46E-09,8.31E-40,5.40E-92,6.77E-166,1.64E-261,0,0,0,0,0,0,1.636455467,5.65659998,0.867498494,7.252856947,1.265804494,1.623500527,1.52456436,1.815392764,4.859536173,0.15938672,2.191433419,1.493770283,0.949630948,1.207789971,0.689575587,0.844487132,0.505383936,0.112905724,0.252384302,4.41E-10,1.49E-40,9.66E-93,1.21E-166,2.93E-262,0,0,0,0,0,0,4.926968446,5.656953365,2.959633945,26.53958844,11.4765673,2.955183273,4.223956666,9.848187287,10.74636444,0.861651509,5.975311619,6.447426739,5.168616301,2.511708152,2.085674534,2.246764848,2.45929481,0.341492071,2.308828448,4.03E-09,1.36E-39,8.84E-92,1.11E-165,2.68E-261,0,0,0,0,0,0,1.937014426,3.702928897,1.015146714,7.00265839,1.985728105,3.049940358,1.68433172,2.152574604,5.048444705,0.190464846,3.873864663,2.091420171,1.137672353,2.331210913,1.231924063,1.582175708,1.123426881,0.141387678,0.395779436,6.92E-10,2.33E-40,1.51E-92,1.90E-166,4.59E-262,0,0,0,0,0,0,8.007726908,0.85559955,0.451399916,0.85968461,0.091854502,0.473274766,0.608600576,0.545442758,9.314726373,10.85231236,23.25976351,0.789526915,1.6273181,8.199070434,0.370227733,0.090837065,0.946760093,0.042750803,0.494339694,0.111896163,0.022087798,8.660135232,3.813933155,12.74980641,0.920140139,0.628323655,8.125789893,0.555473569,0.228138568,0.912046607,0.062346897,0.486139434,0.2539576,0.139323268,8.909402031,6.494192529,16.43333483,0.868069911,0.879420302,8.012744724,0.842797073,0.441853694,0.861826813,0.090648728,0.473812134,0.590332708,0.522616615,9.297395491,10.66597166,22.9472572,0.792740219,1.586761456,8.091994754,0.641159572,0.291771621,0.896627274,0.071043195,0.482411377,0.339480163,0.227883209,9.024925947,7.736346485,18.27505943,0.844940912,1.049774749,7.991921195,0.895955676,0.48150575,0.85298269,0.095625903,0.471587885,0.667998804,0.620624889,9.369382621,11.43997098,24.25713082,0.779474035,1.760211578,8.148195758,0.842513041,0.440715894,0.863941135,0.089330411,0.48957452,0.588410782,0.519928542,9.431424694,10.82730946,23.28423166,0.795911703,1.597913844 +UMLMON0156,L,1-octyne,CCCCCCC#C,12370,,"Sandia, UML",[1],C8H14,PubChem,,51.5,0,0.6706,0.44970436,24.8614,15.46793,0,0,15,5,10,0,5,0,0,0,0,0,0,0,0,0,731.481245,698.127364,609.404043,433.898978,261.356425,81.787104,9.144576,0,0,2428.421953,2841.433771,3094.449545,2482.141517,1704.816405,968.1733981,279.7536999,0,0,104.88722,101.338384,169.297644,173.996552,125.346916,103.171968,60.466176,0,0,18.39062905,22.2910431,27.06861067,23.16214227,16.36770203,10.682782,4.001516144,0,0,2483.148301,2038.402901,3818.5223,4156.948561,2984.238502,2582.994154,1664.258868,0,0,28.25,33,44,40.5,28.5,21,9,0,0,48.76541633,49.86624029,25.39183512,17.35595912,14.51980139,5.4524736,1.016064,0,0,161.8947969,202.9595551,128.9353977,99.28566067,94.71202247,64.54489321,31.08374443,0,0,6.992481333,7.238456,7.0540685,6.95986208,6.963717556,6.8781312,6.718464,0,0,1.226041937,1.592217364,1.127858778,0.926485691,0.909316779,0.712185467,0.444612905,0,0,165.54322,145.6002072,159.1050959,166.2779425,165.7910279,172.1996103,184.917652,0,0,1.883333333,2.357142857,1.833333333,1.62,1.583333333,1.4,1,0,0,0.035677486,-0.002641695,-0.016378695,-0.004296719,-8.24E-04,6.12E-04,0.005690203,0,0,403.5533633,-53.80711511,-121.066009,-26.90355756,-80.71067267,-40.35533633,121.066009,0,0,750.4247115,-100.0566282,-225.1274134,-50.0283141,-150.0849423,-75.04247115,225.1274134,0,0,0.079053333,-0.010540444,-0.023716,-0.005270222,-0.015810667,-0.007905333,0.023716,0,0,3.354747616,-0.447299682,-1.006424285,-0.223649841,-0.670949523,-0.335474762,1.006424285,0,0,18.22304229,-2.429738973,-5.466912688,-1.214869486,-3.644608459,-1.822304229,5.466912688,0,0,2.9,-0.54,-0.59,-0.45,-0.23,-0.45,0.81,0,0,0.002378499,-1.89E-04,-6.82E-04,-1.72E-04,-4.58E-05,4.08E-05,6.32E-04,0,0,26.90355756,-3.843365365,-5.044417042,-1.076142302,-4.483926259,-2.690355756,13.45177878,0,0,50.0283141,-7.146902014,-9.380308893,-2.001132564,-8.33805235,-5.00283141,25.01415705,0,0,0.005270222,-7.53E-04,-9.88E-04,-2.11E-04,-8.78E-04,-5.27E-04,0.002635111,0,0,0.223649841,-0.031949977,-0.041934345,-0.008945994,-0.037274974,-0.022364984,0.111824921,0,0,1.214869486,-0.173552784,-0.227788029,-0.048594779,-0.202478248,-0.121486949,0.607434743,0,0,0.193333333,-0.038571429,-0.024583333,-0.018,-0.012777778,-0.03,0.09,0,0,-0.07933258,-0.286922799,-0.072259331,-0.019235535,0.017145061,0.2658167,0,0,-0.142857143,-0.1875,-0.04,-0.166666667,-0.1,0.5,0,0,-0.142857143,-0.1875,-0.04,-0.166666667,-0.1,0.5,0,0,-0.142857143,-0.1875,-0.04,-0.166666667,-0.1,0.5,0,0,-0.142857143,-0.1875,-0.04,-0.166666667,-0.1,0.5,0,0,-0.142857143,-0.1875,-0.04,-0.166666667,-0.1,0.5,0,0,-0.199507389,-0.127155172,-0.093103448,-0.066091954,-0.155172414,0.465517241,0,0,1.337986366,1.358792279,1.146198357,0.930831122,0.548025991,0.002985243,0,0,1.5,1.225,0.924,1.05,0.84,0,0,0,1.5,1.225,0.924,1.05,0.84,0,0,0,1.5,1.225,0.924,1.05,0.84,0,0,0,1.5,1.225,0.924,1.05,0.84,0,0,0,1.5,1.225,0.924,1.05,0.84,0,0,0,1.551724138,1.131465517,1.013793103,0.905172414,0.965517241,0,0,0,14.2225601,7.11128005,11.47798804,14.2225601,2.84451202,7.113216241,8.88E-16,0.074413151,0.01488263,-1.299061297,13.93540046,2.787080092,1.317216199,14.2225601,7.11128005,11.47798804,14.2225601,2.84451202,7.113216241,8.88E-16,0.074413151,0.01488263,-1.299061297,13.93540046,2.787080092,1.317216199,14.2225601,7.11128005,11.47798804,14.2225601,2.84451202,7.113216241,8.88E-16,0.074413151,0.01488263,-1.299061297,13.93540046,2.787080092,1.317216199,14.2225601,7.11128005,11.47798804,14.2225601,2.84451202,7.113216241,8.88E-16,0.074413151,0.01488263,-1.299061297,13.93540046,2.787080092,1.317216199,14.2225601,7.11128005,11.47798804,14.2225601,2.84451202,7.113216241,8.88E-16,0.074413151,0.01488263,-1.299061297,13.93540046,2.787080092,1.317216199,14.2225601,7.11128005,11.47798804,14.2225601,2.84451202,7.113216241,8.88E-16,0.074413151,0.01488263,-1.299061297,13.93540046,2.787080092,1.317216199,15.42893944,7.681136385,12.54644955,15.38893944,3.077787887,7.682210514,-0.066666667,0.151243532,0.030248706,-0.944431973,11.81221972,2.362443945,1.234567283,0,11.89,12.11005553,-0.181130783,0.043329537,5.054174008,6.416011099,4,14,13,13,3,1,1,0,0,1,10.93207,3.448329577,2.862373862,2.172895786,1.52330503,0.767959749,0.083923071,0.083923071,0.083923071,1.833187916,1.519753191,1.055710453,0.681364208,0.265232884,0.083923071,0.083923071,0.083923071,3.47278425,2.909324143,2.240736077,1.61891892,0.902166257,0.270913902,0.270913902,0.270913902,1.774189855,1.429849346,0.943252315,0.543299832,0.098768791,0.270913902,0.270913902,0.270913902,3.583041041,3.112420136,2.525989906,2.008465192,1.42701276,0.943918427,0.943918427,0.943918427,1.60556859,1.152089292,0.580018235,0.079944465,0.48028368,0.943918427,0.943918427,0.943918427,3.490948608,2.943774431,2.290097699,1.687796699,0.997522863,0.399277246,0.399277246,0.399277246,1.737030022,1.371402055,0.868890639,0.450702758,0.014271401,0.399277246,0.399277246,0.399277246,3.638286161,3.208589915,2.656006732,2.179289856,1.646913201,1.207644823,1.207644823,1.207644823,1.554691428,1.061606369,0.455962058,0.085257474,0.696140631,1.207644823,1.207644823,1.207644823,3.511975245,2.978384154,2.368755473,1.725044972,1.103367364,0.526315789,0.526315789,0.526315789,1.71646362,1.308867909,0.781238289,0.380314046,0.130935602,0.526315789,0.526315789,0.526315789,0,0,0,2,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,3.86180732,2.026038674,0.977283884,0.471404521,0.23570226,0,0,0,0.772361464,0.506509669,0.325761295,0.23570226,0.23570226,0,0,0,7.709139019,14.43918427,13.62745098,13.8,8.992772455,115.1412754,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.89869,24.835,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,2,0,2,0,0,0,0,0,0,0,0,2,0,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.676041667,0,0,0.533680556,0.580555556,0,0.676041667,0,0,0,0,0,0,0,0,4.15625,0,1.163194444,0,4.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331944444,0,0,0.243402778,0.290277778,0,0.331944444,0,0,0,0,0,0,0,0,2.03125,0,1.163194444,0,2.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.344097222,0,0,0.290277778,0.290277778,0,0.344097222,0,0,0,0,0,0,0,0,2.125,0,1.163194444,0,2.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.5,1.9,0.344097222,2.125,0.243402778,1.163194444,3.526715278,0.336805556,0.125,0.673611111,0.336805556,0.125,0.673611111,2.5,0.5,0,0,0.43333,0.7,0.41765,0.41765,0.7,0.01569,0.01569,0,0,0.71429,0,0,0.4,0,0,3,0.6,2,0.4,1,0.2,-1,-0.2,0,0,3.13981,0.62796,4.09272,0.95292,0.19058,1.81066,0.36213,2.41421,0.60355,0.12071,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4,0,0,0,0,0,0,0.6,0.918295834,2.040223929,3.006238929,3.006238929,2.555462691,1.78074227,13.77443751,30.60335893,45.09358393,45.09358393,38.33194036,26.71113405,0.235045188,0.522211687,0.769470978,0.769470978,0.654091183,0.455795274,2.988594762,1.866666667,0.900651667,0.900651667,1.351427905,2.126148326,0.235045188,0.522211687,0.769470978,0.769470978,0.654091183,0.455795274,6.73287657,14.90564042,17.34483785,15.87921452,14.02751927,6.055083307,19.74937501,13.98386437,12.15043656,13.42169695,10.80670472,8.830495524,5,4,4,5,2,5,2.01,0.7701,0.25,3.301927249,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,2.209,3,2,1,0,0,0,0,0,0,15,1.791759469,1.791759469,1.609437912,1.098612289,0,0,0,0,0,0,3.091042453,1.4,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,3,0.75,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,0,92.39992313,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,70.07825032,4.671883355,8.849873734,1.769974747,0,0,0,20,2,2.774,14,1.199422389,2.084412556,2.903428732,3.734646219,4.979588367,5.773481228,0,0,0,0,69.80323523,60.73299123,60.90224144,67.12913601,28.95428803,5.86622643,0,0,0,0,266.7814784,292.2280802,316.4619052,403.617679,335.0075491,179.461415,0,0,0,0,8.713940952,14.76154174,20.26399591,26.17273726,34.31516011,38.78892578,0,0,0,0,2.036416788,2.497782843,2.856494603,3.740308129,3.655147459,2.56696426,0,0,0,0,172.6454426,327.4030314,478.8193051,606.4779673,852.3138271,1067.618593,0,0,0,0,2.941348586,3.989541273,4.879032442,6.339152092,7.134006891,5.773481228,0,0,0,0,0.422764187,0.529703368,0.612574377,0.804137903,0.806357838,0.591204478,0,0,0,0,280.5296941,91.38257319,8.52059716,108.3720529,-35.30220603,-6.400569864,172.1576412,126.6847792,14.92116702,0.72133822,0.23497599,0.021909383,0.27866178,-0.0907741,-0.016458064,109.0984881,35.53884236,3.313675121,42.14608071,-13.7290896,-2.489192802,0.174607508,0.279480216,2.954946928,2.733464801,388.901747,0,1,0,270.7901045,16.45570128,6.46960248,371.1361407,19.264894,7.186394966,365.5794523,19.12013212,7.150349322,1.924820107,1.924820107,260.3217341,244.5996628,25.24869065,1.06427675,10.31030629,9.687617714,3.241125125,3.442976821,6.561715238,0.905826144,4.169276573,3.035832341,1.943174019,9.91223042,3.752123004,2.444485995,2.143075155,4.165729036,4.770403057,0.70123482,2.343440939,1.366822933,9.07E-09,1.16E-38,2.87E-90,1.37E-163,1.26E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0.349906205,3.03190539,0.159879605,3.084592906,0.034820129,0.073445292,0.474748954,0.197415274,1.082615063,0.028513784,0.067271977,0.009626646,6.39E-11,8.18E-41,2.02E-92,9.63E-166,8.85E-261,0,0,0,0,0,0,0,0,0,0,0,0,0,1.129521123,3.032167883,0.518217795,3.613025456,0.296949432,0.32277697,0.815286261,0.737559932,1.517736746,0.112035223,0.302425369,0.10031707,6.66E-10,8.53E-40,2.11E-91,1.00E-164,9.22E-260,0,0,0,0,0,0,0,0,0,0,0,0,0,3.935457456,3.035401227,1.831996077,9.188156278,3.34885355,2.216321794,2.040940133,3.82731966,4.432270766,0.641020336,2.122919728,1.217814625,8.09E-09,1.04E-38,2.56E-90,1.22E-163,1.12E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,1.664702324,3.03250814,0.765889333,4.232683669,0.624359082,0.563607281,1.049055527,1.188483121,1.910746388,0.185343,0.531982587,0.217902081,1.45E-09,1.85E-39,4.58E-91,2.18E-164,2.00E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,5.03500352,3.0376451,2.357093485,12.94069448,5.444741111,3.383527849,2.52123663,5.527107978,6.14994079,0.9457902,3.252100725,1.993382791,1.32E-08,1.69E-38,4.19E-90,1.99E-163,1.83E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,2.199755082,2.819027145,1.03875832,5.112985023,1.069545157,0.877887458,1.257161499,1.483313683,2.518435875,0.279191323,0.832072278,0.378621311,2.51E-09,3.22E-39,7.95E-91,3.79E-164,3.48E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,4.593372981,0.780053951,0.315088399,0.807481867,0.137127863,0.615921408,0.49347625,0.399999003,5.688515332,5.276183235,12.09368511,0.711222801,1.509396662,3.42606499,0.294793493,0.06792809,0.904264446,0.077806835,0.342659433,0.070385121,0.018590578,3.788786573,1.262732477,5.120125176,0.856396668,0.431635133,3.889652602,0.487552428,0.166092143,0.85612991,0.107312467,0.441654705,0.192653038,0.111145595,4.543297173,2.623428934,7.481704837,0.784194866,0.745453339,4.564471083,0.768042911,0.308969406,0.809090581,0.136142014,0.608194528,0.478386577,0.384613955,5.6414834,5.153293342,11.87793377,0.713635872,1.471195061,4.096306116,0.573459585,0.209847901,0.83947346,0.117521515,0.489829152,0.266586482,0.177420313,4.879613603,3.329006538,8.701566712,0.759210191,0.933835946,4.683857812,0.817656608,0.334245332,0.8026132,0.140111424,0.640427974,0.542232702,0.450116345,5.835759753,5.668642808,12.78449109,0.703919801,1.632777021,4.566555253,0.766896321,0.30861398,0.809376497,0.135924745,0.608748798,0.476921021,0.383729575,5.642065555,5.148052144,11.87090683,0.714064745,1.469399393 +UMLMON0157,L,2-Pentene,CCC=CC,12585,Sandia values from biocompoundML paper,Sandia,,C5H10,PubChem,,77.2,0,1.4802,2.19099204,30.3189,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,924.178589,686.110827,453.118514,154.429632,18.289152,0,0,2914.106344,3494.423905,4233.124071,3907.204221,2814.464344,1656.593096,559.5073998,0,0,125.864664,123.114164,212.050868,238.877292,228.143432,145.87776,120.932352,0,0,22.06875486,27.30703172,35.7627251,35.52832815,27.38797691,17.36404786,8.003032287,0,0,2979.777961,2471.442353,4748.191412,5476.928195,5604.494673,3501.729441,3328.517736,0,0,33.77777778,39.33333333,55,61,49,33,18,0,0,48.76541633,50.97680359,30.80595297,20.17973021,13.73086406,7.353792,1.016064,0,0,161.8947969,205.5543474,141.1041357,114.9177712,85.28679831,78.88538554,31.08374443,0,0,6.992481333,7.242009647,7.068362267,7.025802706,6.913437333,6.94656,6.718464,0,0,1.226041937,1.606295984,1.192090837,1.044950828,0.829938694,0.826859422,0.444612905,0,0,165.54322,145.3789619,158.2730471,161.0861234,169.8331719,166.749021,184.917652,0,0,1.87654321,2.31372549,1.833333333,1.794117647,1.484848485,1.571428571,1,0,0,0.038739543,-0.005318411,-0.006860597,-0.014913254,0.001730692,-0.005514603,0.011506402,0,0,484.264036,-53.80711511,-40.35533633,-228.6802392,40.35533633,-201.7766817,242.132018,0,0,900.5096538,-100.0566282,-75.04247115,-425.2406698,75.04247115,-375.2123557,450.2548269,0,0,0.094864,-0.010540444,-0.007905333,-0.044796889,0.007905333,-0.039526667,0.047432,0,0,4.025697139,-0.447299682,-0.335474762,-1.901023649,0.335474762,-1.677373808,2.01284857,0,0,21.86765075,-2.429738973,-1.822304229,-10.32639063,1.822304229,-9.111521147,10.93382538,0,0,3.530864198,-1.235939643,0.843621399,-1.990397805,0.748971193,-1.711934156,1.580246914,0,0,0.002152197,-3.13E-04,-2.29E-04,-4.39E-04,5.24E-05,-2.63E-04,6.39E-04,0,0,26.90355756,-3.165124418,-1.345177878,-6.725889389,1.22288898,-9.608413413,13.45177878,0,0,50.0283141,-5.885684011,-2.501415705,-12.50707852,2.274014277,-17.86725503,25.01415705,0,0,0.005270222,-6.20E-04,-2.64E-04,-0.001317556,2.40E-04,-0.001882222,0.002635111,0,0,0.223649841,-0.026311746,-0.011182492,-0.05591246,0.010165902,-0.079874943,0.111824921,0,0,1.214869486,-0.142925822,-0.060743474,-0.303717372,0.05522134,-0.433881959,0.607434743,0,0,0.196159122,-0.072702332,0.028120713,-0.058541112,0.022696097,-0.081520674,0.087791495,0,0,-0.145362031,-0.106257271,-0.203803444,0.024368221,-0.122014924,0.297019547,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.370629371,0.143356643,-0.298436857,0.115702479,-0.415584416,0.447552448,0,0,1.427202771,1.144646009,1.403409204,0.873431703,0.847932943,0.002912317,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.762237762,0.82027972,1.384615385,0.68086459,1.375624376,0,0,0,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,23.34439958,11.60275535,17.78940131,23.25180699,3.875301165,11.60277715,-0.138888889,0.120260574,0.020043429,-1.270856665,14.94631712,2.491052853,1.622678954,0,11.89,12.11007471,-0.154954146,0.067228264,5.295743165,7.50302765,5,17,16,16,4,1,1,0,0,1,13.118484,3.517606619,2.973446727,2.333552793,2.144218941,1.212755647,0.714238454,0.083923071,0.083923071,1.876614671,1.562795977,1.249629723,1.006105503,0.454457131,0.242677753,0.083923071,0.083923071,3.540212065,3.013827555,2.405454588,2.210649939,1.314575117,0.85296352,0.270913902,0.270913902,1.821017008,1.479346258,1.134540686,0.896768592,0.306288247,0.074238581,0.270913902,0.270913902,3.642387894,3.191621124,2.704236987,2.48977734,1.731762504,1.391492478,0.943918427,0.943918427,1.66333078,1.226940148,0.76031856,0.542581238,0.191473927,0.513929033,0.943918427,0.943918427,3.557013739,3.043627675,2.457539916,2.258979998,1.388112991,0.95125216,0.399277246,0.399277246,1.786115895,1.425528926,1.058262671,0.824386046,0.206853942,0.040284473,0.399277246,0.399277246,3.693794691,3.277571518,2.838982085,2.616800193,1.915254049,1.615628258,1.207644823,1.207644823,1.616067843,1.146660394,0.631337262,0.421299785,0.368828517,0.734374911,1.207644823,1.207644823,3.556782529,3.083747819,2.546278942,2.343749412,1.420038507,1.048111874,0.529411765,0.529411765,1.788931672,1.355414829,0.958043648,0.730094412,0.145135207,0.155381273,0.529411765,0.529411765,0,0,0,2,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.333333333,0,0,0,0.288675135,0.288675135,0,0.19245009,0.19245009,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.732050808,2.398717474,1.769800359,0.577350269,0.384900179,0,0,0,0.788675135,0.479743495,0.353960072,0.19245009,0.19245009,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,2,0,2,0,0,0,0,0,0,0,0,3,0,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.240740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.632638889,0,0,0.777083333,0.580555556,0,0.632638889,0,0,0,0,0,0,0,0,6.375,0,0,0,4.240740741,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.074074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.243402778,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.041666667,0,0,0,2.074074074,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.328472222,0,0,0.290277778,0.290277778,0,0.328472222,0,0,0,0,0,0,0,0,2.166666667,0,0,0,2.166666667,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.33333333,1.888888889,0.328472222,2.166666667,0.243402778,0.717592593,4.246384259,0.615740741,0.166666667,1.231481481,0.615740741,0.166666667,1.231481481,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.61349,0.76891,5.69868,1.0852,0.18087,2.19337,0.36556,2.77005,0.57668,0.09611,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.99107606,2.821888196,2.821888196,2.521052779,2.006349306,16.52932501,35.83936908,50.79398752,50.79398752,45.37895002,36.11428751,0.220218789,0.477484861,0.676723969,0.676723969,0.604579885,0.481147576,3.251629167,2.178848942,1.348036806,1.348036806,1.648872223,2.163575695,0.220218789,0.477484861,0.676723969,0.676723969,0.604579885,0.481147576,6.73287657,14.84279915,16.90146519,15.68011242,14.051801,8.440120483,23.69925001,16.64860504,15.1849632,16.39047709,13.9585639,10.54227292,6,3.2,5.333333333,6,2,5,2.12,0.911,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,2.48,5,3,2,0,0,0,0,0,0,21,1.945910149,2.079441542,1.945910149,1.609437912,0,0,0,0,0,0,3.401197382,1.380952381,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,109.6959078,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,84.09390038,4.671883355,10.67917749,1.779862916,0,0,0,32,3,3.278,20,1.207777307,2.100347399,2.947993387,3.63906745,4.735679952,5.494114911,0,0,0,0,72.17680264,74.6609702,67.65306525,60.72704257,37.25717536,5.582372373,0,0,0,0,273.0495085,325.3187108,361.4276531,346.3148855,391.9188146,170.7776638,0,0,0,0,8.780679587,14.91368779,20.7606745,25.2609901,32.98421197,36.91201324,0,0,0,0,2.074527764,2.682059372,3.21672964,3.255527663,4.062420661,2.44275439,0,0,0,0,173.472061,327.5315904,471.4214515,610.3511637,782.6981651,1015.958829,0,0,0,0,2.88508613,4.051417023,5.430845018,5.67669555,7.661056495,5.494114911,0,0,0,0,0.43031469,0.565457773,0.686937878,0.703154173,0.887465439,0.562597367,0,0,0,0,300.1519509,111.1185936,9.133708802,81.57780189,-30.20073862,-5.141604136,218.574149,141.3193322,14.27531294,0.786294358,0.291092305,0.02392716,0.213705642,-0.079115496,-0.013469226,114.57693,42.41727327,3.486608403,31.14067415,-11.52852049,-1.962703276,0.154365035,0.245231668,2.369920309,3.724995142,381.7297528,0,1,0,330.8250228,18.18859595,6.916177283,451.1312039,21.23984943,7.669510079,493.4562039,22.21387413,7.902227668,1.787320262,1.69008845,328.4475181,281.4177239,70.50839399,1.167117386,4.658275413,3.99126555,3.73606158,3.460904461,6.770737121,0.95634904,4.956886367,3.899845754,1.928852211,11.8606887,5.942461605,5.122209536,2.495709049,6.343598514,6.27831563,1.19021386,3.699169865,7.12E-04,0.005215362,8.00E-24,2.37E-66,1.35E-130,1.49E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,0.416003953,3.894174968,0.157875328,5.046897651,0.617980923,0.348801239,0.546311837,1.013529663,1.154299003,0.080834614,0.096769751,5.02E-06,3.67E-05,5.64E-26,1.67E-68,9.52E-133,1.05E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,1.342894862,3.894554008,0.512276433,5.555414495,1.116563988,1.178817129,0.914350431,1.480033399,1.769537681,0.273497754,0.453181721,5.23E-05,3.83E-04,5.87E-25,1.74E-67,9.92E-132,1.09E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,4.678896799,3.89922319,1.817924995,11.13141658,5.408394889,4.778922718,2.365799585,5.79743756,5.812265853,1.110346509,3.344586045,6.35E-04,0.004646794,7.13E-24,2.11E-66,1.20E-130,1.33E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,1.979176413,3.895045357,0.757667749,6.166475381,1.6334913,1.791454107,1.175867875,1.98480296,2.319758253,0.41578637,0.810354981,1.14E-04,8.31E-04,1.28E-24,3.77E-67,2.15E-131,2.37E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,5.986156611,3.902463531,2.342414862,14.91526289,8.156158805,6.451223386,2.988705355,8.615418895,8.176882826,1.499497253,5.164234984,0.001038596,0.007606115,1.17E-23,3.45E-66,1.97E-130,2.17E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,2.706896014,3.314548029,1.019869007,7.251544667,2.397465211,2.574735637,1.412454041,2.759382075,3.166446059,0.59772273,1.294597394,2.00E-04,0.001461745,2.24E-24,6.64E-67,3.79E-131,4.17E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,4.251478662,1.293632416,0.465437426,0.70733622,0.215227016,0.554072354,0.489194233,0.315754234,6.010548505,8.080752843,16.65113766,0.561004331,1.359020821,3.210626717,0.69906417,0.141864596,0.792442984,0.172542169,0.316093593,0.141782027,0.02917771,4.051555483,2.799080819,7.169042039,0.688664476,0.48705333,3.623998155,0.934385429,0.271220341,0.75037171,0.193470405,0.402661147,0.253835933,0.107126468,4.829603924,4.622537418,10.37055066,0.625557565,0.763623548,4.225708199,1.278845586,0.457495572,0.708767732,0.214497652,0.547378936,0.477963399,0.305081162,5.962049357,7.922337258,16.35670562,0.563151598,1.330423498,3.808264592,1.039683398,0.328464149,0.735695785,0.200850197,0.444623003,0.314736799,0.157233679,5.176412139,5.551766582,12.02869621,0.603543678,0.91659348,4.332159599,1.339940383,0.490286405,0.70300032,0.217438554,0.575290887,0.525225896,0.350323285,6.162386387,8.585789101,17.59420746,0.554500479,1.450840067,4.229388051,1.279451014,0.456817366,0.708956022,0.214469443,0.548342653,0.478395599,0.304124891,5.965656432,7.927828185,16.36545807,0.563434033,1.330863143 +UMLMON0158,L,4-methyl-2-pentene,CC=CC(C)C,12659,[9] has RON of 98.9,UML,[1],C6H12,PubChem,,84.3,0,1.3428,1.80311184,29.2804,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,935.269613,711.341067,448.123874,129.199392,12.192768,0,0,2914.106344,3494.423905,4316.776942,4167.761199,2917.313939,1396.036119,373.0049332,0,0,125.864664,123.114164,212.450036,259.83102,268.055048,124.924032,80.621568,0,0,22.06875486,27.30703172,36.43165651,38.20002968,29.38672294,14.69234634,5.335354858,0,0,2979.777961,2471.442353,4716.396308,5968.090942,6745.79569,3010.566693,2219.011824,0,0,37.02777778,40.66666667,53.83333333,65.33333333,59.66666667,34,12,0,0,48.76541633,50.97680359,31.17565377,19.22543424,11.49035574,7.177744,1.016064,0,0,161.8947969,205.5543474,143.8925647,112.6421946,74.80292151,77.55756218,31.08374443,0,0,6.992481333,7.242009647,7.081667867,7.02246,6.873206359,6.940224,6.718464,0,0,1.226041937,1.606295984,1.21438855,1.032433235,0.753505716,0.816241463,0.444612905,0,0,165.54322,145.3789619,157.2132103,161.2997552,172.9691202,167.2537052,184.917652,0,0,2.057098765,2.392156863,1.794444444,1.765765766,1.52991453,1.888888889,1,0,0,0.044427613,-0.008965497,-0.014090422,-0.004657831,0.007177535,-0.016508382,0.01483079,0,0,484.264036,-53.80711511,-80.71067267,-269.0355756,161.4213453,-161.4213453,161.4213453,0,0,900.5096538,-100.0566282,-150.0849423,-500.283141,300.1698846,-300.1698846,300.1698846,0,0,0.094864,-0.010540444,-0.015810667,-0.052702222,0.031621333,-0.031621333,0.031621333,0,0,4.025697139,-0.447299682,-0.670949523,-2.236498411,1.341899046,-1.341899046,1.341899046,0,0,21.86765075,-2.429738973,-3.644608459,-12.14869486,7.289216918,-7.289216918,7.289216918,0,0,5.470679012,-1.470764746,-0.159465021,-1.765346365,2.694701646,-3.294753086,1.260288066,0,0,0.002468201,-5.27E-04,-4.70E-04,-1.26E-04,1.84E-04,-9.17E-04,0.001235899,0,0,26.90355756,-3.165124418,-2.690355756,-7.271231772,4.139008855,-8.967852519,13.45177878,0,0,50.0283141,-5.885684011,-5.00283141,-13.52116597,7.696663707,-16.6761047,25.01415705,0,0,0.005270222,-6.20E-04,-5.27E-04,-0.001424384,8.11E-04,-0.001756741,0.002635111,0,0,0.223649841,-0.026311746,-0.022364984,-0.060445903,0.034407668,-0.074549947,0.111824921,0,0,1.214869486,-0.142925822,-0.121486949,-0.328343104,0.186902998,-0.404956495,0.607434743,0,0,0.303926612,-0.086515573,-0.005315501,-0.047712064,0.069094914,-0.183041838,0.105024005,0,0,-0.213670709,-0.190292767,-0.05100368,0.074564184,-0.37157931,0.500728802,0,0,-0.117647059,-0.1,-0.27027027,0.153846154,-0.333333333,0.5,0,0,-0.117647059,-0.1,-0.27027027,0.153846154,-0.333333333,0.5,0,0,-0.117647059,-0.1,-0.27027027,0.153846154,-0.333333333,0.5,0,0,-0.117647059,-0.1,-0.27027027,0.153846154,-0.333333333,0.5,0,0,-0.117647059,-0.1,-0.27027027,0.153846154,-0.333333333,0.5,0,0,-0.284659421,-0.017489422,-0.156985476,0.227340783,-0.6022567,0.345557123,0,0,1.486837637,1.096703292,0.927418842,0.732238503,1.660772749,0.171412762,0,0,1.5,1.204166667,1.263513514,0.599358974,1.180555556,0,0,0,1.5,1.204166667,1.263513514,0.599358974,1.180555556,0,0,0,1.5,1.204166667,1.263513514,0.599358974,1.180555556,0,0,0,1.5,1.204166667,1.263513514,0.599358974,1.180555556,0,0,0,1.5,1.204166667,1.263513514,0.599358974,1.180555556,0,0,0,1.624823695,0.75528914,1.003163954,0.566605186,2.416925247,0,0,0,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,30.47194687,15.03111233,24.23596966,30.19879873,5.033133121,15.03111302,-0.409722222,0.07246744,0.012077907,-1.57477075,14.46318437,2.410530728,1.602963847,0,11.79,12.21003864,-0.306825676,0.113388988,5.124354161,7.412007173,5,17,16,16,4,1,1,0,0,1,13.118484,3.494018132,3.029130969,2.333552793,2.103266247,1.109116892,0.871664064,0.083923071,0.083923071,1.884575859,1.545299122,1.249629723,1.006023519,0.418142065,0.333540386,0.083923071,0.083923071,3.519622947,3.063686206,2.405454588,2.171084284,1.219049038,1.002916581,0.270913902,0.270913902,1.82608164,1.470540254,1.134540686,0.889412067,0.265130178,0.170625408,0.270913902,0.270913902,3.633521744,3.217086891,2.704236987,2.459835573,1.664422796,1.51479584,0.943918427,0.943918427,1.65650868,1.247838048,0.76031856,0.515068227,0.254526309,0.394817936,0.943918427,0.943918427,3.538557411,3.089248084,2.457539916,2.220656736,1.298159117,1.096025329,0.399277246,0.399277246,1.789043687,1.422620954,1.058262671,0.812442147,0.162058693,0.06009497,0.399277246,0.399277246,3.689739079,3.292094647,2.838982085,2.592983945,1.857726164,1.729245421,1.207644823,1.207644823,1.604463575,1.178080874,0.631337262,0.388476204,0.442200776,0.605254737,1.207644823,1.207644823,3.549920844,3.185260083,2.511069867,2.262249816,1.345625704,1.148869465,0.507042254,0.507042254,1.855456745,1.309768955,0.989943107,0.723131563,0.114684593,0.032242705,0.507042254,0.507042254,0,0,1,1,0,2,1,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.288675135,0,0.23570226,0.166666667,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.568914101,2.37944541,1.918224245,0.638071187,0.333333333,0,0,0,0.761485683,0.475889082,0.383644849,0.212690396,0.166666667,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,4,1,0,2,0,0,0,0,0,0,0,0,2,1,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.549907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.386597222,0.328472222,0,0,0.984930556,0.290277778,0,0.715069444,0,0,0,0,0,0,0,0,4.364444444,3.600833333,1.138888889,0,1.949074074,0,0.780092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.386597222,0.328472222,0,0,0.225625,0.290277778,0,0.328472222,0,0,0,0,0,0,0,0,2.182222222,3.600833333,1.138888889,0,1.949074074,0,0.780092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.600833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.386597222,0.328472222,0,0,0.290277778,0.290277778,0,0.386597222,0,0,0,0,0,0,0,0,2.182222222,3.600833333,1.138888889,0,1.949074074,0,0.780092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.972222222,0.386597222,3.600833333,0.225625,0.780092593,4.456729537,0.553240741,0.600833333,1.930555556,0.553240741,0.600833333,1.930555556,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.49385,0.74898,5.69868,1.20483,0.20081,2.20517,0.36753,2.77005,0.56488,0.09415,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.209690973,2.974937501,2.974937501,2.743275001,1.927736112,16.52932501,39.77443751,53.54887502,53.54887502,49.37895002,34.69925001,0.220218789,0.529911443,0.7134271,0.7134271,0.657871544,0.462295152,3.251629167,1.960234029,1.1949875,1.1949875,1.42665,2.24218889,0.220218789,0.529911443,0.7134271,0.7134271,0.657871544,0.462295152,6.73287657,16.28447751,17.05571211,17.05571211,14.27576211,8.360892138,23.69925001,15.57894792,14.82857223,14.82857223,13.43859723,9.954219449,6,3.2,5.333333333,6,2,5,2.12,0.911,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.126,0.12,0.128,0.152,2.433,5,3,2,0,0,0,0,0,0,21,1.945910149,1.945910149,1.609437912,1.609437912,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,109.6959078,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,84.09390038,4.671883355,10.67917749,1.779862916,0,0,0,32,3,3.327,20,1.219,2.123579622,2.909438799,3.498403342,4.533909411,5.439833782,0,0,0,0,72.30904117,74.90014097,62.60967458,48.90558465,35.28795907,5.527219272,0,0,0,0,274.3286679,330.2950322,346.1482562,290.3103911,372.3407054,169.090403,0,0,0,0,8.860546952,15.09408561,20.47058789,24.12522901,31.56512981,36.54732743,0,0,0,0,2.086978642,2.72943982,3.114291036,2.822167601,3.866306651,2.4186203,0,0,0,0,175.1912326,329.8629259,466.5129854,599.1412027,750.4447495,1005.92129,0,0,0,0,2.980509804,3.962617959,5.26983962,5.693757123,8.923678441,5.439833782,0,0,0,0,0.432999265,0.575542722,0.666205125,0.613644371,0.844916658,0.557038979,0,0,0,0,332.0077004,130.8876858,10.31992935,148.0602511,-58.36992212,-9.364469661,183.9474494,189.2576079,19.68439901,0.691584805,0.272644082,0.02149681,0.308415195,-0.121586792,-0.01950655,159.3862566,62.83498318,4.954267343,71.07898143,-28.02152894,-4.495581767,0.143667885,0.260309515,2.32010635,6.71283422,480.0679515,0,1,0,331.0578085,18.19499405,6.917799096,447.9391783,21.16457366,7.651378443,499.7272835,22.35458082,7.935561963,1.544623655,1.281441922,305.7734471,260.2967645,69.20063206,1.174710903,4.418651073,3.76147958,3.632738058,3.477616438,6.522110511,0.875454245,3.591793317,3.914864138,2.977028568,11.37549192,4.730848996,3.837831281,3.935320114,4.874650797,2.392507191,1.299852585,0.680943934,1.904596212,2.41E-10,5.90E-42,2.78E-95,2.53E-170,4.43E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0.301445031,3.914691837,0.183261635,5.070796325,0.425864526,0.236441932,0.325373996,0.248986696,0.826555723,0.059926547,0.035428352,0.013414227,1.70E-12,4.15E-44,1.96E-97,1.78E-172,3.12E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0.973075264,3.914703751,0.635462187,5.911167562,0.724026083,0.812572135,0.834786224,0.909252444,1.012558254,0.22584383,0.128678013,0.139786586,1.77E-11,4.33E-43,2.04E-96,1.85E-171,3.25E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390360553,3.914845363,2.764228022,10.83154783,4.261911826,3.56111136,3.633855849,4.491025604,2.249362812,1.193104493,0.627801015,1.696960935,2.15E-10,5.25E-42,2.48E-95,2.25E-170,3.95E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.434128364,3.914718835,0.980940178,6.620646469,1.101090138,1.255274922,1.252017769,1.446809145,1.179924102,0.365625813,0.204126536,0.303635144,3.85E-11,9.40E-43,4.43E-96,4.03E-171,7.06E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,4.337608177,3.914942997,3.812357793,13.56884096,6.700316172,4.926263074,5.142869642,6.409090365,2.976186965,1.730110029,0.893178314,2.777674578,3.52E-10,8.60E-42,4.05E-95,3.69E-170,6.46E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.912741976,2.66705862,1.272767873,6.580451539,1.538225129,1.774429248,1.956126828,2.081434118,1.866626158,0.673748467,0.277502053,0.489656158,6.20E-11,1.52E-42,7.15E-96,6.50E-171,1.14E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,3.583899784,1.259905539,0.480005145,0.673183203,0.236654845,0.46266578,0.494336745,0.404705929,5.323810468,6.840426666,14.33164046,0.509774805,1.361708453,2.980623029,0.681968549,0.142250932,0.78337619,0.179236998,0.320430667,0.146884908,0.035100426,3.804842511,2.55369823,6.647692953,0.675064285,0.502416002,3.220173572,0.910454621,0.277499087,0.730508302,0.206540003,0.373798526,0.259671326,0.135156708,4.408127279,4.078067459,9.299772641,0.595762452,0.76862656,3.568959284,1.245511119,0.471734699,0.675145821,0.23561536,0.458829359,0.483183075,0.390943274,5.286205101,6.716331215,14.09948124,0.512718732,1.332955708,3.326973305,1.01281638,0.337246447,0.711342229,0.216550899,0.398912492,0.320612296,0.199936486,4.677036132,4.83319171,10.64661787,0.567013343,0.919461273,3.630676097,1.304989304,0.505877431,0.667214466,0.239819725,0.474780104,0.530097455,0.449253558,5.441542831,7.234835203,15.073222,0.5008217,1.454131117,3.597864274,1.243664971,0.470530604,0.677301156,0.234121039,0.466329675,0.481927808,0.388917064,5.312059849,6.752625448,14.17009226,0.515951733,1.337174547 +UMLMON0159,L,4-Methyl-1-Pentene,CC(C)CC=C,12724,,"Sandia, UML",[1],C6H12,PubChem,,80.9,0,0.9442,0.89151364,26.8294,17.22793,0,0,16,6,10,0,6,0,0,0,0,0,0,0,0,0,875.745366,986.655606,1221.765727,577.151906,138.343968,12.192768,0,0,0,2851.938855,3688.467574,5101.643257,3796.813424,1675.789819,373.0049332,0,0,0,112.427736,116.419416,214.09414,245.971208,185.390208,80.621568,0,0,0,21.17952905,27.8688431,41.1202307,35.63544818,18.69386248,5.335354858,0,0,0,2609.942657,2291.991614,4600.149716,5624.58383,4674.825562,2219.011824,0,0,0,27.52777778,33.66666667,53.75,56.16666667,34,12,0,0,0,54.73408538,61.66597537,40.72552423,16.49005446,5.123850667,1.016064,0,0,0,178.2461784,230.5292234,170.0547752,108.4803836,62.06628959,31.08374443,0,0,0,7.0267335,7.2762135,7.136471333,7.0277488,6.866304,6.718464,0,0,0,1.323720566,1.741802694,1.370674357,1.018155662,0.692365277,0.444612905,0,0,0,163.121416,143.2494759,153.3383239,160.7023951,173.1416875,184.917652,0,0,0,1.720486111,2.104166667,1.791666667,1.604761905,1.259259259,1,0,0,0,0.030096513,0.003196455,-0.008016671,-0.028352693,0.008597938,0.009526714,0,0,0,453.9975338,3.98E-13,-49.18306616,-387.7895601,5.674969172,204.2988902,0,0,0,844.2278004,1.56E-13,-91.45801171,-721.1112462,10.5528475,379.9025102,0,0,0,0.088935,1.37E-15,-0.009634625,-0.075965312,0.001111687,0.04002075,0,0,0,3.774091068,1.17E-15,-0.408859866,-3.223702787,0.047176138,1.698340981,0,0,0,20.50092258,5.11E-14,-2.22093328,-17.51120471,0.256261532,9.225415162,0,0,0,2.109375,-0.154513889,0.156032986,-1.878146701,0.008138021,0.813802083,0,0,0,0.001881032,2.00E-04,-2.67E-04,-8.10E-04,3.18E-04,7.94E-04,0,0,0,28.37484586,2.49E-14,-1.639435539,-11.07970172,0.210184043,17.02490752,0,0,0,52.76423752,9.77E-15,-3.04860039,-20.60317846,0.390846204,31.65854251,0,0,0,0.005558437,8.55E-17,-3.21E-04,-0.002170437,4.12E-05,0.003335062,0,0,0,0.235880692,7.29E-17,-0.013628662,-0.092105794,0.001747264,0.141528415,0,0,0,1.281307661,3.19E-15,-0.074031109,-0.500320134,0.009491168,0.768784597,0,0,0,0.131835938,-0.009657118,0.0052011,-0.053661334,3.01E-04,0.06781684,0,0,0,0.106206836,-0.142061567,-0.430655577,0.169291192,0.422051722,0,0,0,8.76E-16,-0.057777778,-0.39047619,0.007407407,0.6,0,0,0,1.85E-16,-0.057777778,-0.39047619,0.007407407,0.6,0,0,0,1.54E-14,-0.057777778,-0.39047619,0.007407407,0.6,0,0,0,3.09E-16,-0.057777778,-0.39047619,0.007407407,0.6,0,0,0,2.49E-15,-0.057777778,-0.39047619,0.007407407,0.6,0,0,0,-0.073251029,0.039451303,-0.407031158,0.002286237,0.514403292,0,0,0,1.066622541,1.292128641,1.444070588,0.504116527,0.001380277,0,0,0,1.25,1.133333333,1.314285714,0.740740741,0,0,0,0,1.25,1.133333333,1.314285714,0.740740741,0,0,0,0,1.25,1.133333333,1.314285714,0.740740741,0,0,0,0,1.25,1.133333333,1.314285714,0.740740741,0,0,0,0,1.25,1.133333333,1.314285714,0.740740741,0,0,0,0,1.333333333,0.915226337,1.475837743,0.724279835,0,0,0,0,16.07350083,8.036750417,11.87553838,16.07350083,2.678916806,8.03768869,-5.33E-15,0.014311245,0.002385207,-2.548025817,21.47271448,3.578785747,1.840069821,16.07350083,8.036750417,11.87553838,16.07350083,2.678916806,8.03768869,-5.33E-15,0.014311245,0.002385207,-2.548025817,21.47271448,3.578785747,1.840069821,16.07350083,8.036750417,11.87553838,16.07350083,2.678916806,8.03768869,-5.33E-15,0.014311245,0.002385207,-2.548025817,21.47271448,3.578785747,1.840069821,16.07350083,8.036750417,11.87553838,16.07350083,2.678916806,8.03768869,-5.33E-15,0.014311245,0.002385207,-2.548025817,21.47271448,3.578785747,1.840069821,16.07350083,8.036750417,11.87553838,16.07350083,2.678916806,8.03768869,-5.33E-15,0.014311245,0.002385207,-2.548025817,21.47271448,3.578785747,1.840069821,16.07350083,8.036750417,11.87553838,16.07350083,2.678916806,8.03768869,-5.33E-15,0.014311245,0.002385207,-2.548025817,21.47271448,3.578785747,1.840069821,17.15886309,8.529431546,12.70051937,17.09219643,2.848699404,8.530023638,-0.1,0.142485381,0.023747563,-1.169109526,21.01766797,3.502944662,1.82721805,0,11.9,12.1000824,-0.139077747,0.061495464,5.839745305,7.492007203,6,16,15,15,5,1,1,0,0,1,10.93207,3.678137484,2.747103276,2.355813088,1.975963684,1.150869371,0.343083398,0.083923071,0.083923071,1.754520439,1.687517145,1.188384144,0.645277741,0.555655479,0.083923071,0.083923071,0.083923071,3.696932743,2.791500679,2.405207026,2.043503576,1.268172845,0.471247769,0.270913902,0.270913902,1.702396596,1.619861007,1.080219324,0.505502562,0.41401564,0.270913902,0.270913902,0.270913902,3.781815199,2.989913008,2.625219407,2.326004333,1.732417956,0.958552952,0.943918427,0.943918427,1.5621384,1.417595025,0.730798023,0.051001877,0.067202604,0.943918427,0.943918427,0.943918427,3.710895962,2.824454472,2.44183568,2.092543643,1.35183446,0.561642133,0.399277246,0.399277246,1.670393235,1.576439685,1.00866449,0.41269785,0.318624864,0.399277246,0.399277246,0.399277246,3.824544477,3.086859989,2.732257719,2.454405997,1.929708226,1.207644823,1.207644823,1.207644823,1.522230422,1.353855165,0.611658759,0.104051087,0.240894356,1.15324661,1.207644823,1.207644823,3.733539337,2.903808337,2.486849224,2.181706543,1.461610347,0.695456946,0.590163934,0.590163934,1.615708018,1.560802866,0.865063101,0.285077235,0.18549984,0.590163934,0.590163934,0.590163934,0,0,0,1,1,1,3,0,0,0,0,0.144337567,0.144337567,0,0,0,0.102062073,0.102062073,0,0.288675135,0,0,0,0.204124145,0,0,0,0.40824829,0.433012702,0,0.288675135,0.306186218,0,4.405777394,2.89384685,2.389628766,1.64384685,1.129936127,0.288675135,0,0,0.734296232,0.482307808,0.341375538,0.234835264,0.161419447,0.144337567,0,0,4.198670613,2.550476816,1.942705341,1.268037688,0.831424626,0.204124145,0,0,0.699778435,0.425079469,0.277529334,0.181148241,0.118774947,0.102062073,0,0,8.709139019,15.43918427,14.62745098,14.8,9.992772455,121.8839701,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,2.04279,27.338,18.09925825,25.29161865,36.19851651,6.033086084,18.09925827,0.064833572,0.010805595,-1.641559038,30.97618464,5.16269744,2.059931203,29,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,3,0,1,0,0,0,0,0,0,0,0,1,0,3,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.898148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.836111111,0.870833333,0,0.304166667,0,0,0,0,0,0,0,0,2.201388889,0,4.06712963,0,2.319444444,0,0,0,0,1.578703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.578703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.255555556,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.201388889,0,1.325231481,0,2.319444444,0,0,0,0,1.578703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.319444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.290277778,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.201388889,0,1.394675926,0,2.319444444,0,0,0,0,1.578703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.16666667,1.694444444,0.304166667,2.319444444,0.069444444,1.325231481,3.338203704,0.174768519,0.319444444,1.041666667,0.174768519,0.319444444,1.041666667,3,0.5,0,0,0.45,0.7,0.43333,0.43333,0.7,0.01667,0.01667,0,0,0.71429,0,0,0.16667,0.16667,0,4,0.66667,3,0.5,1,0.16667,-2,-0.33333,0,0,4.33534,0.72256,5.2306,0.89526,0.14921,2.3406,0.3901,2.89384,0.55324,0.09221,0.02016,0.00336,0.10616,0.01769,0.3125,6,0,0,0,0,0,0,0.666666667,0.954434003,2.091917187,3.077819531,3.327819531,3.202819531,3.327819531,15.27094405,33.47067499,49.2451125,53.2451125,51.2451125,53.2451125,0.238608501,0.522979297,0.769454883,0.831954883,0.800704883,0.831954883,3.045565997,1.908082813,0.922180469,0.672180469,0.797180469,0.672180469,0.233502796,0.511788674,0.752990217,0.814152852,0.783571535,0.814152852,6.794779896,17.22252709,19.59016602,19.84212228,18.34212228,19.84212228,23.34095565,14.95225468,13.35845859,12.85845859,14.35845859,12.85845859,4.166666667,1.632653061,0.979591837,0,2,0,2.12,0.8024,0,1.632993162,1,0,4.242640687,2.828427125,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.076,0.353,0.392,3.041,7,7,7,2,0,0,0,0,0,35,2.079441542,2.397895273,2.48490665,2.564949357,1.386294361,0,0,0,0,0,3.912023005,1.4,0.333333333,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,0,2,3,0.5,1,0.444444444,0.222222222,0,0,0,0,0,0,0,0.166666667,0.063492063,0.111111111,0,0,0,0,0,0,0,0.341269841,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,0,97.33944905,3.584962501,3.295836866,4.007333185,4.762173935,5.493061443,6.251903883,6.989335266,7.747164967,8.487764381,9.243871855,68.27844578,2.564949357,0,3.713572067,2.397895273,5.017279837,4.442651256,6.385194399,6.224558429,7.788626066,8.245646901,82.07825032,5.129890645,11.57549817,1.929249695,0,0,0,26,2,2.391,26,1.295717689,2.289582472,3.190700003,3.966973218,5.076861149,0,0,0,0,0,95.09295523,103.1201837,59.40088957,22.69898255,5.158415846,0,0,0,0,0,334.1946406,417.814637,364.9886981,264.1119324,157.8078545,0,0,0,0,0,9.476528449,16.40506449,22.46407952,27.32384174,34.10870886,0,0,0,0,0,2.449464279,3.312749328,3.36215228,2.889705124,2.257237983,0,0,0,0,0,182.5844923,346.353569,509.861496,680.0462197,938.8012433,0,0,0,0,0,2.815573595,4.221018964,5.195342397,5.152475038,5.076861149,0,0,0,0,0,0.504744013,0.693191781,0.721440427,0.637824793,0.519870582,0,0,0,0,0,290.6615922,92.1991131,8.954808848,174.0682858,-55.21521248,-7.559710382,116.5933064,147.4143256,16.51451923,0.625442017,0.198392911,0.019268847,0.374557983,-0.118811411,-0.016266891,135.0791263,42.84768259,4.161567224,80.89473324,-25.66015896,-3.513223284,0.180180067,0.268011928,3.985952137,3.540017761,464.729878,0,1,0,357.9912854,18.92065764,7.100530843,455.0739585,21.33246255,7.691788393,529.7668003,23.01666354,8.091485237,1.369174524,1.17802809,248.8399156,180.318201,81.90868291,1.380004427,3.038016322,2.201454041,3.437326443,3.479064736,5.62183571,0.615904313,2.870679673,2.71586654,6.151082813,8.648896109,4.224785942,9.471957244,4.32281053,3.865527016,2.860035925,1.694293765,6.46E-07,3.23E-34,3.26E-83,6.35E-154,2.39E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.240930735,2.715679326,1.703134986,2.300154101,0.303045613,0.58168188,0.130252105,0.12819085,0.14477582,0.01193305,4.55E-09,2.27E-36,2.29E-85,4.47E-156,1.68E-248,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.777718558,2.715692206,2.574479676,3.158550606,0.97159408,2.017735232,0.553699042,0.541046817,0.530115075,0.124351576,4.74E-08,2.37E-35,2.39E-84,4.66E-155,1.75E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.709688327,2.715846117,5.865843155,8.10545162,3.938015904,8.793750178,3.913196256,3.512906607,2.634057283,1.509585242,5.75E-07,2.88E-34,2.90E-83,5.66E-154,2.13E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.14620657,2.71570857,3.183490747,3.877720776,1.469713995,3.115967303,0.972753859,0.928385903,0.844789256,0.270108241,1.03E-07,5.15E-35,5.19E-84,1.01E-154,3.80E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.466758163,2.715952336,7.221888686,10.83676644,5.339572387,12.1351438,6.01308975,5.311713805,3.764577444,2.470968224,9.42E-07,4.71E-34,4.75E-83,9.26E-154,3.48E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.708267584,2.816418708,3.991112953,5.397314519,2.397776709,4.866971678,1.712579211,1.610889611,1.505814819,0.590111454,2.25E-07,1.12E-34,1.13E-83,2.21E-154,8.31E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.120503119,1.545098728,0.41449155,0.614260974,0.304147701,0.576141885,0.597877651,0.498383376,5.080093396,6.755337939,13.83389629,0.421391461,1.672402911,2.118729875,0.917825073,0.081497026,0.679504348,0.294358491,0.264964669,0.210367845,0.019268803,3.118051975,2.192093601,5.4686266,0.519256523,0.494601317,2.494374334,1.153075626,0.206370696,0.647247124,0.29920324,0.367631437,0.33245961,0.123552271,3.853820656,3.628929034,8.076313549,0.470870685,0.823643317,3.093334055,1.528089908,0.405461142,0.615358018,0.303983456,0.566124003,0.584754149,0.476904619,5.026885105,6.600700388,13.54415674,0.423037027,1.627782771,2.670874124,1.263593534,0.265040169,0.635996939,0.300890863,0.421677827,0.39944448,0.203784502,4.199507827,4.417691246,9.511682946,0.453995409,1.024906809,3.206422234,1.598886268,0.443049002,0.610938228,0.304645076,0.608401671,0.640338461,0.569420414,5.248357504,7.255691614,14.77543042,0.416407342,1.818160547,3.097466431,1.528620035,0.406267636,0.615510429,0.303758441,0.56764435,0.585167561,0.478802302,5.032354102,6.614278458,13.57024857,0.423265643,1.631614214 +UMLMON0160,L,1-methyl-cyclopentene,CC1=CCCC1,12746,,"Sandia, UML",[1],C6H10,UML,,72.9,0,0.0486,0.00236196,30.5884,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1323.6122,1631.364849,1408.538047,761.887227,299.795497,58.588992,4.064256,0,3823.307636,4994.447843,7096.043224,7236.379542,4947.14347,2369.462059,769.7839098,124.3349777,0,154.382624,159.970976,300.351492,427.954876,375.242412,233.640676,95.655168,26.873856,0,28.53578067,37.90082034,57.8334738,64.26827042,47.76524328,24.81937132,8.900306288,1.778451619,0,3603.201977,3158.070517,6384.963905,9887.465468,9016.305714,5879.330725,2461.666711,739.6706081,0,40.02777778,46,71.66666667,93.5,83.16666667,50,19,4,0,53.10626655,60.16419091,38.84202021,23.09078766,14.10902272,8.817514618,4.184928,1.016064,0,173.7867107,227.0203565,168.9534101,118.6291728,91.61376796,69.69006057,54.98456499,31.08374443,0,7.017392,7.271408,7.151226,7.015653705,6.948933556,6.871784588,6.832512,6.718464,0,1.297080939,1.722764561,1.376987471,1.053578204,0.884541542,0.729981509,0.635736163,0.444612905,0,163.781908,143.5486599,152.0229501,162.0895978,166.9686243,172.9214919,175.8333365,184.917652,0,1.819444444,2.090909091,1.706349206,1.532786885,1.540123457,1.470588235,1.357142857,1,0,0.048698283,-0.006452617,-0.017748253,-1.77E-04,-0.009693425,8.36E-04,0.003242707,0.005643546,0,616.3360458,5.47E-13,-219.1194708,-157.085648,-137.0747375,93.05073419,48.02618539,64.03491385,0,1146.103196,1.28E-13,-407.4620128,-292.1074703,-254.8963276,173.0318136,89.30674252,119.0756567,0,0.120736,1.75E-15,-0.042924,-0.030772,-0.026852,0.018228,0.009408,0.012544,0,5.123614541,1.08E-14,-1.82154478,-1.305856303,-1.139505182,0.773532715,0.399242692,0.532323589,0,27.8315555,-2.93E-14,-9.894660155,-7.093432166,-6.189810234,4.201841984,2.168692637,2.891590182,0,4.814393939,-0.178030303,-1.117883379,0.310089532,-0.774219467,-0.586891644,-0.341483012,0.281221304,0,0.002213558,-2.93E-04,-4.23E-04,-2.91E-06,-1.80E-04,2.46E-05,2.32E-04,0.001410887,0,28.01527481,2.49E-14,-5.217130258,-2.575174558,-2.538421064,2.7367863,3.430441813,16.00872846,0,52.0955998,5.81E-15,-9.701476494,-4.788647055,-4.720302363,5.089170989,6.379053037,29.76891417,0,0.005488,7.96E-17,-0.001022,-5.04E-04,-4.97E-04,5.36E-04,6.72E-04,0.003136,0,0.23289157,4.92E-16,-0.043370114,-0.02140748,-0.021101948,0.022750962,0.028517335,0.133080897,0,1.265070705,-1.33E-15,-0.235587147,-0.116285773,-0.114626115,0.123583588,0.154906617,0.722897546,0,0.218836088,-0.008092287,-0.026616271,0.005083435,-0.014337398,-0.017261519,-0.024391644,0.070305326,0,-0.132501937,-0.190904143,-0.001313798,-0.081094713,0.011111988,0.104637817,0.637383939,0,8.88E-16,-0.18622449,-0.091920375,-0.090608466,0.097689076,0.12244898,0.571428571,0,1.12E-16,-0.18622449,-0.091920375,-0.090608466,0.097689076,0.12244898,0.571428571,0,1.45E-14,-0.18622449,-0.091920375,-0.090608466,0.097689076,0.12244898,0.571428571,0,2.11E-15,-0.18622449,-0.091920375,-0.090608466,0.097689076,0.12244898,0.571428571,0,-1.05E-15,-0.18622449,-0.091920375,-0.090608466,0.097689076,0.12244898,0.571428571,0,-0.036978757,-0.121626516,0.023229418,-0.065516605,-0.078878758,-0.111460792,0.321269342,0,1.350294965,1.121723238,0.827721715,1.012454967,1.022191788,0.975021324,0.153180664,0,1.3125,1.325892857,1.048155738,0.954861111,0.667279412,0.589285714,0,0,1.3125,1.325892857,1.048155738,0.954861111,0.667279412,0.589285714,0,0,1.3125,1.325892857,1.048155738,0.954861111,0.667279412,0.589285714,0,0,1.3125,1.325892857,1.048155738,0.954861111,0.667279412,0.589285714,0,0,1.3125,1.325892857,1.048155738,0.954861111,0.667279412,0.589285714,0,0,1.299763965,0.799108314,0.668390708,1.160037299,1.379136391,1.324154209,0,0,30.77271836,15.38635918,23.18205497,30.77271836,3.846589795,15.38636004,0,0.011337013,0.001417127,-3.583745955,79.30716705,9.913395881,3.498662803,30.77271836,15.38635918,23.18205497,30.77271836,3.846589795,15.38636004,0,0.011337013,0.001417127,-3.583745955,79.30716705,9.913395881,3.498662803,30.77271836,15.38635918,23.18205497,30.77271836,3.846589795,15.38636004,0,0.011337013,0.001417127,-3.583745955,79.30716705,9.913395881,3.498662803,30.77271836,15.38635918,23.18205497,30.77271836,3.846589795,15.38636004,0,0.011337013,0.001417127,-3.583745955,79.30716705,9.913395881,3.498662803,30.77271836,15.38635918,23.18205497,30.77271836,3.846589795,15.38636004,0,0.011337013,0.001417127,-3.583745955,79.30716705,9.913395881,3.498662803,30.77271836,15.38635918,23.18205497,30.77271836,3.846589795,15.38636004,0,0.011337013,0.001417127,-3.583745955,79.30716705,9.913395881,3.498662803,40.16877105,19.78971423,30.02302671,40.04333702,5.005417128,19.78971424,-0.501736111,0.082845829,0.010355729,-1.992619102,66.25459189,8.281823986,3.354803819,0,11.9,12.10012615,-0.149691392,0.050510948,5.5151836,8.608754956,8,22,21,21,7,1,1,0,0,1,15.304898,3.649504605,3.138911379,2.750129472,2.525565447,1.456797487,1.437166735,1.118098661,0.770991813,1.993955263,1.58267502,1.372874417,1.192707619,0.666206401,0.608478529,0.481029915,0.277853871,3.672277353,3.168205153,2.792995694,2.570349785,1.556142907,1.529415999,1.23762927,0.908050179,1.942528308,1.516954162,1.285229005,1.097824067,0.522081792,0.465030983,0.326575764,0.111531043,3.773084499,3.298439671,2.981537655,2.770289371,1.9628467,1.916270907,1.710174075,1.438581302,1.793355048,1.324666716,1.018928274,0.810370363,0.037619229,0.011283346,0.205491378,0.468288139,3.689087519,3.189870864,2.824624264,2.603577638,1.62787375,1.596630104,1.322861683,1.004998235,1.909972429,1.475165793,1.228596505,1.036528425,0.425347018,0.369128299,0.222046176,0.001478551,3.822628198,3.362525497,3.072480534,2.867944811,2.141548494,2.089958336,1.910626018,1.659319804,1.747430174,1.265248755,0.933903671,0.71939954,0.135164289,0.178136658,0.401464135,0.685343949,3.727918209,3.380219424,2.77707341,2.654818341,1.715014625,1.681083795,1.451096326,1.136168262,1.957065254,1.354081591,1.235300662,0.859920373,0.331290277,0.25142262,0.069750874,0.161945283,0,0,1,1,0,0,5,1,0,0,0,0,0.102062073,0.072168784,0,0,0,0.102062073,0.058925565,0.204124145,0,0,0,0.166666667,0,0,0,0.49279928,0.594861352,0.49279928,0.353553391,0.416666667,0.353553391,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,5.397341225,3.558078205,2.633792357,1.983163248,1.369869053,0.945705769,0.23570226,0.083333333,0.674667653,0.444759776,0.292643595,0.198316325,0.136986905,0.094570577,0.058925565,0.041666667,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.67889,36.502,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,6,1,0,2,0,0,0,0,0,0,0,0,0,1,5,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.89462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.364027778,0.290694444,0,0,1.445277778,0.290277778,0,0.654722222,0,0,0,0,0,0,0,0,0,3.784351852,7.088009259,0,2.110277778,0,0.850694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.110277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.364027778,0.290694444,0,0,0.216944444,0.290277778,0,0.290694444,0,0,0,0,0,0,0,0,0,3.784351852,1.392361111,0,2.110277778,0,0.850694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.784351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.364027778,0.290694444,0,0,0.290277778,0.290277778,0,0.364027778,0,0,0,0,0,0,0,0,0,3.784351852,1.44875,0,2.110277778,0,0.850694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.83333333,1.729166667,0.364027778,3.784351852,0.216944444,0.850694444,5.572267269,0.482638889,0.784351852,1.789259259,0.482638889,0.784351852,1.789259259,4,0.5,0,0,0.44545,0.7,0.43333,0.43333,0.7,0.01212,0.01212,0,0,0.71429,0,0,0.125,0.125,0,5,0.625,4,0.5,1,0.125,-3,-0.375,0,0,6.67375,0.83422,8.02289,1.34915,0.16864,3.39384,0.42423,3.93185,0.53801,0.06725,-0.01785,-0.00223,0.06815,0.00852,0.272727273,8,0,0,0,0,0,0,0.75,0.945660305,1.985873629,2.551514871,3.027169118,3.277613437,3.095795255,20.8045267,43.68921983,56.13332716,66.59772061,72.10749561,68.10749561,0.212058483,0.445319897,0.572161452,0.67882398,0.734984571,0.694212967,3.513771314,2.47355799,1.907916748,1.4322625,1.181818182,1.363636364,0.209052139,0.439006616,0.564049945,0.669200322,0.724564728,0.684371141,6.786633838,14.02575958,17.02147672,17.87802823,18.13043228,15.9486141,31.28312609,24.89843272,20.68292738,19.64457454,18.99492654,22.17914098,6.125,3.111111111,1.8,2,2,2,2.34,1.0842,0,2.00414513,0.5,0,7.732315986,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.112,0.12,0.278,0.36,3.787,9,10,10,10,4,2,0,0,0,61,2.302585093,2.397895273,2.564949357,2.564949357,2.564949357,1.945910149,1.609437912,0,0,0,4.304065093,1.196721311,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,1,0.125,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,0,131.9314183,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,110.1095504,5.004979566,15.69266546,1.961583183,0,0,0,64,7,4.121,34,1.222999411,2.108867404,2.823243395,3.58712192,4.146350337,4.897605343,5.709273287,0,0,0,83.04796982,90.18311566,69.36406128,53.49537153,39.67305465,21.3806511,5.800987053,0,0,0,299.7655435,377.9041026,351.3345625,335.1446976,302.5244704,275.964138,177.4655917,0,0,0,8.923221417,15.12181359,19.86223274,24.93448625,28.54242159,33.49478151,38.35754704,0,0,0,2.226955806,3.029592631,3.088398637,3.207469351,3.123797044,3.166933087,2.538416581,0,0,0,173.6738804,317.7802597,453.371802,598.4773323,713.1486216,858.6265823,1055.745411,0,0,0,2.613398614,3.683138227,4.42551541,5.539380468,6.243879933,6.781923295,5.709273287,0,0,0,0.460046942,0.634958959,0.658529388,0.694133913,0.684924049,0.705034444,0.584629585,0,0,0,321.6324598,149.6083732,10.96247735,104.7869067,-48.74196668,-6.957219082,216.8455531,198.3503399,17.91969643,0.754263256,0.35084798,0.025708207,0.245736744,-0.114305237,-0.016315439,137.1503097,63.79590771,4.674612646,44.68316635,-20.78451855,-2.966692953,0.122340521,0.220072595,2.801147706,5.052320021,426.4193664,0,1,0,579.3719988,24.07014746,8.336539916,715.6274408,26.75121382,8.944628929,956.7378719,30.93117961,9.853661868,1.402168661,1.266911393,359.9385233,289.7661149,133.2747732,1.242169131,2.700725086,2.174200773,3.704344628,3.779648656,6.509250006,0.722183885,4.150214403,5.254991662,9.067767084,11.9763545,14.74265608,9.897885689,10.849988,4.819818876,7.835644577,1.094519878,0.410357972,0.998834007,3.47E-11,2.35E-43,3.06E-97,7.68E-173,3.72E-270,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348877367,4.746992094,0.625238236,3.966773008,0.812189054,1.390087807,1.660430094,0.360050929,0.311888575,0.081744656,0.002897122,0.00703487,2.45E-13,1.65E-45,2.15E-99,5.41E-175,2.62E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,1.124811294,4.780938323,2.05183068,4.694044424,2.877892722,2.706784739,2.588408825,0.937003005,1.234604863,0.270544018,0.030135776,0.073308765,2.55E-12,1.72E-44,2.24E-98,5.64E-174,2.73E-271,0,0,0,0,0,0,0,0,0,0,0,0,0,3.917499273,5.199218004,8.445956168,11.16491542,13.61468241,9.228488493,9.9521075,4.428855697,7.158171422,1.026175587,0.365626342,0.889943118,3.09E-11,2.09E-43,2.72E-97,6.84E-173,3.32E-270,0,0,0,0,0,0,0,0,0,0,0,0,0,1.657465611,4.824950765,3.119240322,5.462794987,4.526878938,3.735340626,3.506860339,1.432050428,2.050045739,0.405472546,0.065441862,0.159236433,5.54E-12,3.74E-44,4.87E-98,1.22E-173,5.93E-271,0,0,0,0,0,0,0,0,0,0,0,0,0,5.011853788,5.489512219,11.4892333,15.34533114,19.23145888,12.54503629,14.55514598,6.401290864,10.59026711,1.35476993,0.598445909,1.456705527,5.06E-11,3.42E-43,4.46E-97,1.12E-172,5.43E-270,0,0,0,0,0,0,0,0,0,0,0,0,0,2.488692656,3.888573457,4.554699855,6.661695105,6.942355409,4.927295579,5.700891867,2.603423791,3.767113365,0.998934311,0.137257761,0.334056257,1.16E-11,7.85E-44,1.02E-97,2.57E-173,1.25E-270,0,0,0,0,0,0,0,0,0,0,0,0,0,2.915420834,1.555996251,0.719635407,0.561624225,0.299745813,0.438348351,0.558379697,0.418197255,5.191052492,7.754173941,16.2097689,0.342436338,1.414925303,2.349634333,0.924831024,0.287023872,0.659733663,0.259675367,0.2872444,0.195329847,0.067835051,3.561489229,3.112864451,7.298060781,0.489600494,0.550409298,2.564742914,1.164600152,0.452680099,0.613278027,0.27847769,0.340959825,0.31093662,0.168057538,4.182023165,4.675099375,10.20923272,0.41991704,0.819953984,2.900405248,1.539231217,0.708271892,0.563414313,0.299001286,0.433928067,0.54627995,0.405417948,5.147908357,7.608864018,15.91877737,0.345121469,1.385625964,2.664582781,1.275990433,0.529039438,0.59615519,0.285481211,0.367445239,0.373919676,0.228718077,4.469612652,5.484700774,11.75303806,0.394232785,0.970082992,2.962787227,1.608882556,0.755445983,0.556170986,0.302017569,0.452439111,0.597431822,0.459669532,5.327115765,8.220426256,17.14858432,0.334256479,1.509540465,2.927485455,1.536974707,0.708953909,0.565871089,0.29709099,0.4415546,0.544672361,0.405072596,5.173414071,7.664567584,16.02789928,0.348806634,1.391299557 +UMLMON0161,L,vinylcyclohexane,C=CC1CCCCC1,12757,,UML,[1],C8H14,PubChem,,53.4,0,-0.086,0.007396,34.709,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,1985.508851,1834.308513,1208.909357,605.601698,147.488544,12.192768,0,4371.159516,5876.91121,8672.178832,9469.851103,7575.105347,4667.158268,1955.543519,373.0049332,0,188.796996,195.98202,384.613004,548.203716,563.07506,434.0882,245.856384,80.621568,0,33.10313229,45.14389758,71.20205987,83.87350945,72.48554276,48.08460951,22.69537863,5.335354858,0,4469.666941,3897.355064,8328.753616,12565.07281,13511.29447,10802.27809,6339.08443,2219.011824,0,40.80555556,49.77777778,84.33333333,114.1666667,111.5,82.16666667,43,12,0,48.76541633,56.15943233,36.76868243,23.51677581,14.92480688,9.612725365,4.096904,1.016064,0,161.8947969,217.6633782,160.5959043,121.4083475,93.5198191,74.08187728,54.3206533,31.08374443,0,6.992481333,7.258593333,7.122463037,7.028252769,6.951543951,6.890288889,6.829344,6.718464,0,1.226041937,1.671996207,1.318556664,1.075301403,0.894883244,0.76324777,0.630427184,0.444612905,0,165.54322,144.3464838,154.2361781,161.0906771,166.8061046,171.4647315,176.0856786,184.917652,0,1.511316872,1.843621399,1.561728395,1.463675214,1.37654321,1.304232804,1.194444444,1,0,0.036407824,-0.003076168,-0.007014982,-0.010613783,-0.007278173,1.14E-04,0.002327761,0.007337676,0,726.396054,7.32E-13,-121.066009,-282.4873543,-201.7766817,-8.42E-13,80.71067267,161.4213453,0,1350.764481,-5.26E-13,-225.1274134,-525.297298,-375.2123557,7.11E-15,150.0849423,300.1698846,0,0.142296,2.04E-15,-0.023716,-0.055337333,-0.039526667,-1.68E-15,0.015810667,0.031621333,0,6.038545709,1.65E-14,-1.006424285,-2.348323331,-1.677373808,-1.42E-14,0.670949523,1.341899046,0,32.80147613,-2.00E-13,-5.466912688,-12.75612961,-9.111521147,1.84E-13,3.644608459,7.289216918,0,2.483539095,-0.854938272,0.144032922,-0.490512117,-0.28909465,-0.169410151,-0.021262003,0.439414723,0,0.001348438,-1.14E-04,-1.30E-04,-1.36E-04,-8.99E-05,1.81E-06,6.47E-05,6.11E-04,0,26.90355756,2.71E-14,-2.24196313,-3.621632748,-2.491070144,-1.34E-14,2.24196313,13.45177878,0,50.0283141,-1.95E-14,-4.169026175,-6.734580744,-4.632251305,1.13E-16,4.169026175,25.01415705,0,0.005270222,7.55E-17,-4.39E-04,-7.09E-04,-4.88E-04,-2.67E-17,4.39E-04,0.002635111,0,0.223649841,6.11E-16,-0.018637487,-0.030106709,-0.020708319,-2.26E-16,0.018637487,0.111824921,0,1.214869486,-7.40E-15,-0.101239124,-0.163540123,-0.112487915,2.92E-15,0.101239124,0.607434743,0,0.091982929,-0.03166438,0.002667276,-0.006288617,-0.00356907,-0.00268905,-5.91E-04,0.036617894,0,-0.084491955,-0.096338935,-0.100912429,-0.066635609,0.001339084,0.047951803,0.453467656,0,1.01E-15,-0.083333333,-0.134615385,-0.092592593,-4.97E-16,0.083333333,0.5,0,-3.89E-16,-0.083333333,-0.134615385,-0.092592593,2.25E-18,0.083333333,0.5,0,1.43E-14,-0.083333333,-0.134615385,-0.092592593,-5.06E-15,0.083333333,0.5,0,2.73E-15,-0.083333333,-0.134615385,-0.092592593,-1.01E-15,0.083333333,0.5,0,-6.09E-15,-0.083333333,-0.134615385,-0.092592593,2.40E-15,0.083333333,0.5,0,-0.344241922,0.028997514,-0.068367217,-0.038801436,-0.029234229,-0.006420878,0.398094449,0,1.530079947,1.211094284,1.118285243,0.989705134,0.843745748,0.658209306,0.003739006,0,1.444444444,1.283950617,1.166666667,0.989711934,0.791005291,0.601851852,0,0,1.444444444,1.283950617,1.166666667,0.989711934,0.791005291,0.601851852,0,0,1.444444444,1.283950617,1.166666667,0.989711934,0.791005291,0.601851852,0,0,1.444444444,1.283950617,1.166666667,0.989711934,0.791005291,0.601851852,0,0,1.444444444,1.283950617,1.166666667,0.989711934,0.791005291,0.601851852,0,0,1.874067937,0.856255178,1.0495029,0.998066832,0.994733105,0.799710025,0,0,40.14219446,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,1.78E-14,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,40.14219446,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,1.78E-14,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,40.14219446,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,1.78E-14,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,40.14219446,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,1.78E-14,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,40.14219446,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,1.78E-14,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,40.14219446,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,1.78E-14,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,47.10182096,23.36777262,35.37777518,47.00065498,5.222294998,23.36777262,-0.182098765,0.035273929,0.003919325,-3.01015003,47.79540835,5.310600928,3.480236618,0,11.9,12.1001487,-0.151156961,0.04901184,6.1114375,9.068755296,9,27,27,27,9,0,0,0,0,0,19.677726,3.664750317,3.219157313,2.750129472,2.592338226,2.333552793,1.499631818,1.456797487,1.151713741,2.013537918,1.716752167,1.372874417,1.258063942,1.249629723,0.666206401,0.635930541,0.505325169,3.687986481,3.252710913,2.792995694,2.638583645,2.405454588,1.589768807,1.556142907,1.269866432,1.96177185,1.644684894,1.285229005,1.165486243,1.134540686,0.522081792,0.49658748,0.351430425,3.790509853,3.400847878,2.981537655,2.841612656,2.704236987,1.965208078,1.9628467,1.738170588,1.811063426,1.43044514,1.018928274,0.881733676,0.76031856,0.037619229,0.035307892,0.178057588,3.705120264,3.277477673,2.824624264,2.672698925,2.457539916,1.655239663,1.62787375,1.354189917,1.928955643,1.598552216,1.228596505,1.105452968,1.058262671,0.425347018,0.403570735,0.247308696,3.840711395,3.473015731,3.072480534,2.939085759,2.838982085,2.141548494,2.133257619,1.937367216,1.764468612,1.363272377,0.933903671,0.790417671,0.631337262,0.126189495,0.135164289,0.372637902,3.698128699,3.36340787,2.854261372,2.724027945,2.713878329,1.758082461,1.74890333,1.498840181,1.920425873,1.499078803,1.160668036,1.011278079,0.807995976,0.266026078,0.257784547,0.072150721,0,0,0,0,0,2,5,2,0,0,0,0,0.102062073,0.058925565,0,0,0,0.102062073,0.058925565,0.5,0,0.166666667,0,0.5,0,0.166666667,0,1.040440115,1.054737854,1.040440115,1.040440115,1.054737854,1.040440115,6.690234444,4.304530453,3.642107032,2.592638956,1.800833459,1.250443623,0.451184464,0.23570226,0.743359383,0.478281161,0.331100639,0.216053246,0.150069455,0.104203635,0.075197411,0.058925565,6.690234444,4.304530453,3.642107032,2.592638956,1.800833459,1.250443623,0.451184464,0.23570226,0.743359383,0.478281161,0.331100639,0.216053246,0.150069455,0.104203635,0.075197411,0.058925565,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.2227,41.413,36.08872406,51.75280153,72.17744812,8.019716458,36.08872406,0.19041988,0.021157764,-1.492671377,35.89962077,3.988846752,3.222654059,69,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,4.714259259,0,7.462546296,0,0,0,1.989861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.35712963,0,1.488935185,0,0,0,0.935462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.35712963,0,1.497685185,0,0,0,1.054398148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.16666667,1.574074074,0.2,2.35712963,0.2,0.935462963,6.479198287,0.39787037,0.35712963,1.428518519,0.39787037,0.35712963,1.428518519,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.22222,0.22222,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,9.97476,1.10831,9.97476,0,0,4.30452,0.47828,4.30452,0,0,0.10948,0.01216,0.19548,0.02172,0.222222222,9,0,0,0,0,0,0,1,0.918295834,1.396802669,2.551778485,2.865274539,2.661208798,2.550821761,24.79398752,37.71367206,68.8980191,77.36241255,71.85263755,68.87218755,0.193126721,0.293761455,0.536664324,0.602595653,0.559678604,0.536463115,3.836591668,3.358084833,2.203109017,1.889612963,2.093678704,2.204065741,0.193126721,0.293761455,0.536664324,0.602595653,0.559678604,0.536463115,6.73287657,12.47495859,16.42966265,15.42446943,15.21880687,12.86442972,35.54887502,27.21134672,23.88525893,25.29835928,25.72319909,29.73478428,7.111111111,3.239669421,2,3,0,3,2.45,1.2681,0.5,2.68246152,2.828427125,0,6.083643419,4.745102806,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,4.165,11,12,12,12,6,4,0,0,0,75,2.302585093,2.48490665,2.564949357,2.564949357,2.564949357,1.945910149,1.609437912,0,0,0,4.33073334,1,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,3,0.333333333,0,3,5,0.666666667,1.5,0.888888889,0.4375,0.191111111,0.125,0,0,0,0,0,0.166666667,0.080808081,0.048611111,0.038222222,0.0625,0,0,0,0,0,0.396808081,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,0,151.8638616,4.169925001,3.713572067,4.465908119,5.252273428,6.02827852,6.816735881,7.598399329,8.386400901,9.169830829,9.957265258,79.38866433,2.944438979,0,4.143134726,0,5.556828062,0,7.055312843,0,8.590257762,8.836955157,126.1408506,4.671883355,17.52861439,1.947623821,0,0,0,88,9,4.999,40,1.22699952,2.102062456,2.83197678,3.514067012,4.097457258,5.004203446,5.748921289,0,0,0,78.95148878,86.18511041,71.40133381,58.14924337,44.52003758,21.27286722,5.84127196,0,0,0,290.5400635,361.6396057,360.820155,343.7404246,326.6522086,277.6477373,178.6980001,0,0,0,8.938429587,15.02094699,19.95558373,24.45766187,28.31908648,34.20317975,38.62392072,0,0,0,2.17886504,2.914409346,3.158941835,3.233274784,3.294128701,3.20129471,2.556044594,0,0,0,175.1121323,320.7644033,452.2897494,584.1187481,695.8524241,878.95794,1063.077026,0,0,0,2.308999694,3.372944974,4.226930937,4.890072701,5.50374382,6.037864861,5.748921289,0,0,0,0.45089223,0.611642914,0.672940116,0.697845438,0.71906359,0.71326913,0.58868954,0,0,0,349.3292642,162.0024082,8.930833424,86.95552129,-40.32586245,-4.687805996,262.3737429,202.3282707,13.61863942,0.800690915,0.371322617,0.020470192,0.199309085,-0.092430137,-0.01074483,152.4070431,70.67918593,3.896386745,37.93737095,-17.59356025,-2.045218433,0.064933444,0.134373977,0.68806471,0.988856004,436.2847855,0,1,0,620.8036052,24.91593075,8.530701456,795.1702547,28.19876335,9.264458536,1092.564988,33.05397084,10.29949094,1.680324685,1.680324685,473.969352,427.83029,168.1634146,1.107844309,2.818504566,2.544134174,4.019304462,3.779648656,6.970405536,0.844194043,5.80083534,6.962468225,9.05018823,16.89334382,17.44905721,17.48262381,11.97472315,8.807939841,9.765871124,6.143337884,5.800147904,0.026069729,0.934935504,6.60E-13,9.16E-47,2.45E-102,1.27E-179,1.26E-278,0,0,0,0,0,0,0,0,0,0,0,0,0.427425031,6.522667268,0.674944612,6.756573561,0.852607223,2.151959771,1.200971686,1.33688221,0.569634207,0.249677484,0.080147897,2.79E-04,0.006584827,4.65E-15,6.45E-49,1.73E-104,8.93E-182,8.90E-281,0,0,0,0,0,0,0,0,0,0,0,0,1.417912608,6.552056574,2.210121915,7.831349357,3.10255621,4.396824764,2.111361122,2.080625853,1.964245975,0.981060516,0.526659584,0.002158156,0.068618976,4.84E-14,6.72E-48,1.80E-103,9.31E-181,9.27E-280,0,0,0,0,0,0,0,0,0,0,0,0,5.434259433,6.914182263,8.475768952,15.92100811,16.03053961,16.2312023,10.85924018,8.07418367,9.032178751,5.615682067,5.19488566,0.023293263,0.833010702,5.88E-13,8.16E-47,2.19E-102,1.13E-179,1.13E-278,0,0,0,0,0,0,0,0,0,0,0,0,2.129425833,6.590160505,3.315752554,8.864393866,4.984894294,6.200465831,3.118975319,2.823154367,3.064878233,1.623171333,1.04727417,0.004453348,0.149049586,1.05E-13,1.46E-47,3.91E-103,2.02E-180,2.01E-279,0,0,0,0,0,0,0,0,0,0,0,0,7.200815129,7.165503974,11.24705188,20.89287363,23.15819203,22.47133663,16.6225193,11.83852124,12.67622683,8.286455687,8.330794762,0.037709482,1.363515566,9.62E-13,1.34E-46,3.58E-102,1.85E-179,1.84E-278,0,0,0,0,0,0,0,0,0,0,0,0,3.654735808,6.141831075,5.189517117,11.86997331,8.837137873,10.31606385,5.674928835,4.868606607,5.638815644,3.232310894,2.444678472,0.011021885,0.377338675,2.66E-13,3.70E-47,9.90E-103,5.12E-180,5.10E-279,0,0,0,0,0,0,0,0,0,0,0,0,3.615945384,1.396271638,1.007648627,0.600668785,0.231943987,0.51828912,0.54501318,0.433491251,6.019865648,10.09939558,21.20671992,0.401003177,1.496793551,2.9156181,0.851050302,0.483862966,0.685942026,0.200222096,0.3375202,0.199222992,0.099103408,4.250531368,4.303889009,9.755047779,0.52891304,0.6358466,3.19373212,1.067185225,0.692336168,0.644774614,0.215451364,0.404700849,0.315254621,0.203750414,4.953253513,6.358290918,13.67123638,0.46716192,0.923705884,3.598604036,1.382733555,0.994724325,0.602169805,0.23137872,0.513348424,0.534278494,0.422386214,5.976061916,9.930968226,20.85668941,0.403254707,1.470013131,3.317713532,1.163703327,0.785068838,0.629967254,0.220963921,0.436605425,0.375939617,0.262388317,5.266485697,7.379055001,15.67656138,0.444950881,1.074933358,3.670237491,1.438668042,1.048097904,0.596107754,0.233663674,0.533909895,0.579349263,0.469176334,6.157003436,10.63488656,22.3261125,0.394161631,1.582435491,3.609648988,1.384978044,0.999360847,0.602211593,0.231061202,0.516490711,0.536745809,0.426588194,5.993987878,9.990719292,20.98079645,0.403317389,1.479824714 +UMLMON0162,L,Isopropylcyclohexane,CC(C)C1CCCCC1,12763,,"Sandia, UML",[1],C9H18,PubChem,,61.1,0,0.6042,0.36505764,27.4928,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,935.269613,821.316052,390.555817,82.888848,6.096384,0,0,2914.106344,3494.423905,4316.776942,4309.23574,3100.852524,1257.525459,186.5024666,0,0,125.864664,123.114164,212.450036,259.455568,250.270948,183.394368,40.310784,0,0,22.06875486,27.30703172,36.43165651,38.53752256,31.06004837,15.34920546,2.667677429,0,0,2979.777961,2471.442353,4716.396308,6005.352959,5994.805195,4833.801083,1109.505912,0,0,37.02777778,40.66666667,53.66666667,66.16666667,64,35,6,0,0,48.76541633,50.97680359,31.17565377,22.19773114,10.84877269,3.069957333,1.016064,0,0,161.8947969,205.5543474,143.8925647,116.4658308,86.13479232,46.57501701,31.08374443,0,0,6.992481333,7.242009647,7.081667867,7.012312649,6.951970778,6.792384,6.718464,0,0,1.226041937,1.606295984,1.21438855,1.041554664,0.862779121,0.568489091,0.444612905,0,0,165.54322,145.3789619,157.2132103,162.3068367,166.5223665,179.0296697,184.917652,0,0,2.057098765,2.392156863,1.788888889,1.788288288,1.777777778,1.296296296,1,0,0,0.043858197,-0.010671129,-0.009854008,0.002461082,-0.019263152,0.008060485,0.007337624,0,0,484.264036,-53.80711511,-80.71067267,-107.6142302,-242.132018,161.4213453,80.71067267,0,0,900.5096538,-100.0566282,-150.0849423,-200.1132564,-450.2548269,300.1698846,150.0849423,0,0,0.094864,-0.010540444,-0.015810667,-0.021080889,-0.047432,0.031621333,0.015810667,0,0,4.025697139,-0.447299682,-0.670949523,-0.894599364,-2.01284857,1.341899046,0.670949523,0,0,21.86765075,-2.429738973,-3.644608459,-4.859477945,-10.93382538,7.289216918,3.644608459,0,0,5.470679012,-1.470764746,-0.5468107,1.05409808,-2.645061728,0.243055556,0.630144033,0,0,0.002436567,-6.28E-04,-3.28E-04,6.65E-05,-5.35E-04,2.99E-04,0.001222937,0,0,26.90355756,-3.165124418,-2.690355756,-2.908492709,-6.725889389,5.978568346,13.45177878,0,0,50.0283141,-5.885684011,-5.00283141,-5.408466389,-12.50707852,11.11740313,25.01415705,0,0,0.005270222,-6.20E-04,-5.27E-04,-5.70E-04,-0.001317556,0.00117116,0.002635111,0,0,0.223649841,-0.026311746,-0.022364984,-0.024178361,-0.05591246,0.049699965,0.111824921,0,0,1.214869486,-0.142925822,-0.121486949,-0.131337242,-0.303717372,0.269970997,0.607434743,0,0,0.303926612,-0.086515573,-0.018227023,0.028489137,-0.073473937,0.009002058,0.105024005,0,0,-0.257622144,-0.134807288,0.027298958,-0.219607207,0.122523426,0.501910106,0,0,-0.117647059,-0.1,-0.108108108,-0.25,0.222222222,0.5,0,0,-0.117647059,-0.1,-0.108108108,-0.25,0.222222222,0.5,0,0,-0.117647059,-0.1,-0.108108108,-0.25,0.222222222,0.5,0,0,-0.117647059,-0.1,-0.108108108,-0.25,0.222222222,0.5,0,0,-0.117647059,-0.1,-0.108108108,-0.25,0.222222222,0.5,0,0,-0.284659421,-0.059971791,0.093736896,-0.241748942,0.029619182,0.345557123,0,0,1.53095184,1.023289939,0.912751422,1.241211656,0.620740314,0.176618311,0,0,1.5,1.204166667,1.091216216,1.121527778,0.393518519,0,0,0,1.5,1.204166667,1.091216216,1.121527778,0.393518519,0,0,0,1.5,1.204166667,1.091216216,1.121527778,0.393518519,0,0,0,1.5,1.204166667,1.091216216,1.121527778,0.393518519,0,0,0,1.5,1.204166667,1.091216216,1.121527778,0.393518519,0,0,0,1.624823695,0.797009873,0.747707086,1.44583921,0.805641749,0,0,0,19.66433592,9.83216796,14.7814799,19.66433592,3.27738932,9.832308265,-7.11E-15,0.108897205,0.018149534,-1.330410549,30.9395939,5.156598984,2.059222032,19.66433592,9.83216796,14.7814799,19.66433592,3.27738932,9.832308265,-7.11E-15,0.108897205,0.018149534,-1.330410549,30.9395939,5.156598984,2.059222032,19.66433592,9.83216796,14.7814799,19.66433592,3.27738932,9.832308265,-7.11E-15,0.108897205,0.018149534,-1.330410549,30.9395939,5.156598984,2.059222032,19.66433592,9.83216796,14.7814799,19.66433592,3.27738932,9.832308265,-7.11E-15,0.108897205,0.018149534,-1.330410549,30.9395939,5.156598984,2.059222032,19.66433592,9.83216796,14.7814799,19.66433592,3.27738932,9.832308265,-7.11E-15,0.108897205,0.018149534,-1.330410549,30.9395939,5.156598984,2.059222032,19.66433592,9.83216796,14.7814799,19.66433592,3.27738932,9.832308265,-7.11E-15,0.108897205,0.018149534,-1.330410549,30.9395939,5.156598984,2.059222032,29.6708735,14.63057564,22.66993387,29.39772535,4.899620891,14.63057668,-0.409722222,0.163301409,0.027216902,-1.087294589,18.12863909,3.021439849,1.738495775,0,11.79,12.21003864,-0.305446688,0.114839642,5.285153436,7.810753398,5,17,16,16,4,1,1,0,0,1,13.118484,3.510570633,2.923746169,2.591993864,1.830190102,1.29672581,0.791796115,0.083923071,0.083923071,1.885714227,1.511756778,1.344763099,0.882680806,0.533106724,0.283462637,0.083923071,0.083923071,3.534745521,2.96384696,2.648249794,1.914269465,1.399394587,0.92617065,0.270913902,0.270913902,1.82870653,1.427851139,1.246490786,0.753351048,0.386909979,0.117884083,0.270913902,0.270913902,3.643014978,3.140516132,2.887539852,2.261918794,1.817235022,1.449608743,0.943918427,0.943918427,1.665010837,1.175663166,0.933429077,0.326660436,0.10631946,0.458121096,0.943918427,0.943918427,3.55266112,2.993441339,2.689321671,1.975123423,1.473367801,1.021472754,0.399277246,0.399277246,1.792745992,1.373896328,1.181813881,0.667148642,0.288666889,0.005452905,0.399277246,0.399277246,3.696893224,3.22609567,2.998283769,2.417134684,1.999773964,1.668440407,1.207644823,1.207644823,1.615279038,1.095806556,0.828338588,0.177483154,0.283129654,0.673024903,1.207644823,1.207644823,3.566591033,3.091050043,2.747720566,1.989051712,1.539447649,1.075255501,0.507042254,0.507042254,1.854087453,1.301672875,1.045272553,0.625732981,0.217553853,0.077456731,0.507042254,0.507042254,0,0,1,1,0,2,1,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.23570226,0,0,0,0.577350269,0.288675135,0,0.402368927,0.166666667,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.568914101,2.434286965,1.621234435,1.046319478,0.166666667,0,0,0,0.761485683,0.486857393,0.324246887,0.261579869,0.166666667,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,29,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,4,1,0,2,0,0,0,0,0,0,0,0,2,1,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.603657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0.316319444,0,0,1.002708333,0.290277778,0,0.697291667,0,0,0,0,0,0,0,0,4.318796296,3.631435185,1.211805556,0,1.972222222,0,0.699074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.972222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0.316319444,0,0,0.225625,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.159074074,3.631435185,1.211805556,0,1.972222222,0,0.699074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.631435185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0.316319444,0,0,0.290277778,0.290277778,0,0.380972222,0,0,0,0,0,0,0,0,2.159722222,3.631435185,1.211805556,0,1.972222222,0,0.699074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.972222222,0.380972222,3.631435185,0.225625,0.699074074,4.45393537,0.634259259,0.631435185,1.900462963,0.634259259,0.631435185,1.900462963,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.47858,0.74643,5.73058,1.25199,0.20867,2.27005,0.37834,2.80805,0.53801,0.08967,0.10595,0.01766,0.10595,0.01766,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.209690973,3.086048612,3.419381946,3.187719446,2.261069445,16.52932501,39.77443751,55.54887502,61.54887502,57.37895002,40.69925001,0.220218789,0.529911443,0.74007293,0.820010419,0.764454863,0.542232641,3.251629167,1.960234029,1.083876389,0.750543056,0.982205556,1.908855556,0.220218789,0.529911443,0.74007293,0.820010419,0.764454863,0.542232641,6.73287657,16.28447751,18.38904545,18.72498713,15.94503712,7.371711855,23.69925001,15.57894792,13.38195556,12.79699306,11.40701806,7.005430558,6,3.2,3,6,2,5,2.12,0.911,0.908560296,3.301927249,1.889881575,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.126,0.12,0.128,0.152,2.433,5,4,1,0,0,0,0,0,0,21,1.945910149,1.945910149,1.945910149,1.098612289,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,0,109.6959078,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,84.09390038,4.671883355,10.6758508,1.779308466,0,0,0,31,4,3.323,20,1.219,2.123631498,2.899970269,3.556163718,4.192301734,5.88270204,0,0,0,0,72.30904117,74.80740243,71.75925488,44.84780399,15.37461283,5.977201766,0,0,0,0,274.3286679,330.0828365,358.8256165,326.9785185,214.1458873,182.8564068,0,0,0,0,8.860546952,15.09415609,20.38319406,24.78034926,28.56585796,39.52272188,0,0,0,0,2.086978642,2.728313977,3.149069318,3.202767769,2.534326866,2.615525242,0,0,0,0,175.1912326,329.8894697,467.2561589,587.8451146,743.3668536,1087.815449,0,0,0,0,2.981019608,3.943223889,5.358752492,6.563400761,5.788272837,5.88270204,0,0,0,0,0.432999265,0.575327332,0.671451208,0.694686021,0.567188732,0.602388689,0,0,0,0,321.0130424,125.3539833,10.03705425,167.6842096,-65.47984297,-10.56554275,153.3288329,190.8338263,20.602597,0.656875072,0.256506422,0.020538389,0.343124928,-0.133988564,-0.021619812,156.8781917,61.26014717,4.905080829,81.94681243,-31.99981932,-5.163351708,0.145708114,0.26217034,3.239478739,5.870371394,488.697252,0,1,0,331.0578085,18.19499405,6.917799096,447.9391783,21.16457366,7.651378443,507.5585236,22.52905954,7.976800096,1.614441754,1.548464708,286.6491871,243.4177611,68.23540586,1.177601773,4.20088638,3.567323416,3.545600309,3.477616438,6.522108179,0.875453575,3.591793317,3.914856144,2.809144108,14.96129676,6.573278713,4.901360619,7.067919348,5.863633837,2.078803188,0.660501497,0.648627375,1.904596213,2.41E-10,5.90E-42,2.78E-95,2.53E-170,4.43E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0.301445031,3.914691781,0.175374784,5.052814874,1.622400242,0.248048757,0.511868237,0.194811722,0.795558644,0.055423534,0.035200744,0.013414227,1.70E-12,4.15E-44,1.96E-97,1.78E-172,3.12E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0.973075264,3.914703164,0.605915445,6.252938337,1.979903641,0.901204746,1.662821003,0.824763852,0.91557315,0.178919051,0.126306161,0.139786586,1.77E-11,4.33E-43,2.04E-96,1.85E-171,3.25E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390360553,3.91483824,2.610029593,14.06376556,6.039152668,4.511531171,6.600310185,5.330095444,1.950036198,0.623454177,0.599007543,1.696960936,2.15E-10,5.25E-42,2.48E-95,2.25E-170,3.95E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.434128364,3.91471756,0.93325876,7.320975706,2.419230433,1.437667526,2.508520423,1.413735505,1.040099242,0.263698947,0.198974555,0.303635145,3.85E-11,9.40E-43,4.43E-96,4.03E-171,7.06E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,4.337608177,3.914931338,3.58938207,18.61479249,8.813231995,6.463894428,8.874490243,8.050839879,2.612576442,0.797676588,0.84604765,2.777674579,3.52E-10,8.60E-42,4.05E-95,3.69E-170,6.46E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.912741976,2.662718092,1.21642766,7.657325299,3.468187565,2.023463177,3.984458376,1.950889117,1.599300597,0.509376446,0.269193729,0.489656158,6.20E-11,1.52E-42,7.15E-96,6.50E-171,1.14E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,3.441537837,1.187285226,0.499320226,0.671107971,0.231523411,0.462444258,0.463783849,0.440702358,5.128143289,6.397352005,13.56576119,0.506661956,1.366930465,2.772386541,0.669255635,0.148658892,0.772187761,0.18640655,0.298954985,0.147425989,0.038108327,3.590301068,2.367066026,6.233194052,0.658281641,0.484489302,3.037639513,0.874236184,0.289206384,0.723061215,0.208097858,0.359334732,0.251192766,0.146967702,4.201082081,3.786953802,8.756056515,0.584591822,0.757495199,3.42492227,1.174397969,0.490750409,0.672863405,0.230723314,0.457934154,0.453734188,0.425738435,5.090070648,6.279340047,13.34331767,0.509295108,1.337406778,3.156098789,0.96597949,0.351254039,0.705536402,0.215941813,0.388170659,0.306694292,0.217624934,4.473332319,4.496623344,10.04083323,0.558304603,0.912489885,3.493571533,1.22764471,0.526122319,0.665779708,0.233955689,0.476718107,0.495979263,0.489101672,5.247338561,6.772801847,14.2766078,0.498669561,1.461799042,3.448872411,1.172353551,0.489807695,0.674789611,0.229376997,0.46420991,0.452014046,0.424231326,5.111033657,6.306809854,13.3982819,0.512184416,1.340455282 +UMLMON0163,L,3-Methyl-1-Pentene,CCC(C)C=C,12969,,"Sandia, UML",[1],C6H12,PubChem,,81.2,0,1.1257,1.26720049,29.6281,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,924.178589,807.176836,398.598649,97.028064,9.144576,0,0,2914.106344,3494.423905,4233.124071,4132.331635,3091.254162,1434.429565,279.7536999,0,0,125.864664,123.114164,212.050868,238.901008,230.514724,203.948928,60.466176,0,0,22.06875486,27.30703172,35.7627251,36.53475244,30.39514106,17.35197558,4.001516144,0,0,2979.777961,2471.442353,4748.191412,5482.395107,5408.257135,5356.758935,1664.258868,0,0,36.27777778,40,53.91666667,64,59,36,9,0,0,48.76541633,50.97680359,30.80595297,23.74049518,12.07874694,3.2342688,1.016064,0,0,161.8947969,205.5543474,141.1041357,121.5391657,93.67436856,47.81431882,31.08374443,0,0,6.992481333,7.242009647,7.068362267,7.026500235,6.985294667,6.7982976,6.718464,0,0,1.226041937,1.606295984,1.192090837,1.074551542,0.921064881,0.578399186,0.444612905,0,0,165.54322,145.3789619,158.2730471,161.2469149,163.8865798,178.5586312,184.917652,0,0,2.015432099,2.352941176,1.797222222,1.882352941,1.787878788,1.2,1,0,0,0.038592396,-0.00617557,-0.00451563,-0.009604246,-0.018787068,0.014909591,0.004876724,0,0,484.264036,-53.80711511,-40.35533633,-107.6142302,-322.8426907,161.4213453,121.066009,0,0,900.5096538,-100.0566282,-75.04247115,-200.1132564,-600.3397692,300.1698846,225.1274134,0,0,0.094864,-0.010540444,-0.007905333,-0.021080889,-0.063242667,0.031621333,0.023716,0,0,4.025697139,-0.447299682,-0.335474762,-0.894599364,-2.683798093,1.341899046,1.006424285,0,0,21.86765075,-2.429738973,-1.822304229,-4.859477945,-14.57843384,7.289216918,5.466912688,0,0,5.160493827,-1.611454047,0.155349794,0.499314129,-3.599794239,1.08436214,0.891975309,0,0,0.002144022,-3.63E-04,-1.51E-04,-2.82E-04,-5.69E-04,4.97E-04,5.42E-04,0,0,26.90355756,-3.165124418,-1.345177878,-3.165124418,-9.783111838,5.380711511,13.45177878,0,0,50.0283141,-5.885684011,-2.501415705,-5.885684011,-18.19211422,10.00566282,25.01415705,0,0,0.005270222,-6.20E-04,-2.64E-04,-6.20E-04,-0.001916444,0.001054044,0.002635111,0,0,0.223649841,-0.026311746,-0.011182492,-0.026311746,-0.081327215,0.044729968,0.111824921,0,0,1.214869486,-0.142925822,-0.060743474,-0.142925822,-0.441770722,0.242973897,0.607434743,0,0,0.286694102,-0.094791415,0.005178326,0.01468571,-0.109084674,0.036145405,0.099108368,0,0,-0.169433346,-0.070204963,-0.131751361,-0.26553137,0.231800966,0.252729809,0,0,-0.117647059,-0.05,-0.117647059,-0.363636364,0.2,0.5,0,0,-0.117647059,-0.05,-0.117647059,-0.363636364,0.2,0.5,0,0,-0.117647059,-0.05,-0.117647059,-0.363636364,0.2,0.5,0,0,-0.117647059,-0.05,-0.117647059,-0.363636364,0.2,0.5,0,0,-0.117647059,-0.05,-0.117647059,-0.363636364,0.2,0.5,0,0,-0.330636082,0.018062201,0.051224317,-0.380491518,0.126076555,0.34569378,0,0,1.459660835,1.055742681,1.176552807,1.34679953,0.402210182,0,0,0,1.5,1.133333333,1.125,1.287878788,0.425,0,0,0,1.5,1.133333333,1.125,1.287878788,0.425,0,0,0,1.5,1.133333333,1.125,1.287878788,0.425,0,0,0,1.5,1.133333333,1.125,1.287878788,0.425,0,0,0,1.5,1.133333333,1.125,1.287878788,0.425,0,0,0,1.679425837,0.707655502,1.122308612,1.672085689,0.329425837,0,0,0,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,27.25284414,13.45049614,21.08763991,27.01827624,4.50304604,13.45049955,-0.351851852,2.22E-16,3.70E-17,-21.62619203,3000004.126,500000.6876,8.948474533,0,11.89,12.11007471,-0.159022962,0.062659336,5.366457677,7.685504018,5,17,16,16,4,1,1,0,0,1,13.118484,3.524328477,2.902564078,2.573034865,1.726226086,1.598026915,0.406593768,0.083923071,0.083923071,1.876003719,1.563026335,1.280443227,0.821967038,0.769718516,0.083923071,0.083923071,0.083923071,3.546132746,2.950308951,2.624263942,1.814059153,1.695309721,0.522690739,0.270913902,0.270913902,1.820965457,1.473453684,1.185260743,0.688178674,0.630337185,0.270913902,0.270913902,0.270913902,3.645373871,3.155598408,2.844992109,2.177235683,2.090117344,0.962616277,0.943918427,0.943918427,1.665838607,1.195492746,0.887865308,0.244758745,0.162386152,0.943918427,0.943918427,0.943918427,3.562376937,2.985267979,2.661820526,1.877656929,1.765276817,0.60441669,0.399277246,0.399277246,1.786494477,1.415133181,1.123102496,0.598842374,0.536857124,0.399277246,0.399277246,0.399277246,3.695672244,3.252217518,2.948765265,2.339024069,2.26277616,1.207644823,1.207644823,1.207644823,1.619710405,1.104407163,0.789944771,0.089099207,0.004703131,1.138227275,1.207644823,1.207644823,3.58984967,2.971222913,2.834627776,1.949815258,1.766170271,0.630759933,0.514285714,0.514285714,1.809181693,1.408678168,0.962193962,0.500143587,0.49081984,0.514285714,0.514285714,0.514285714,0,0,1,0,1,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.176776695,0,0,0,0.577350269,0.288675135,0,0.353553391,0.176776695,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.621320344,2.474873734,1.457106781,1,0.25,0,0,0,0.770220057,0.494974747,0.291421356,0.25,0.25,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,29,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,2,1,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.134259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,1.067361111,0.580555556,0,0.363194444,0,0,0,0,0,0,0,0,4.261574074,3.791666667,2.270833333,0,0,0,0,0,0,1.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.243402778,0.290277778,0,0.363194444,0,0,0,0,0,0,0,0,2.130787037,3.791666667,1.135416667,0,0,0,0,0,0,1.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.791666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.290277778,0.290277778,0,0.363194444,0,0,0,0,0,0,0,0,2.130787037,3.791666667,1.135416667,0,0,0,0,0,0,1.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.66666667,1.944444444,0.363194444,3.791666667,0.069444444,1.135416667,3.951986111,0.364583333,0.791666667,2.106481481,0.364583333,0.791666667,2.106481481,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.51663,0.75277,5.73058,1.21395,0.20232,2.30487,0.38414,2.80805,0.50319,0.08386,0.10595,0.01766,0.10595,0.01766,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.99107606,2.530493057,2.530493057,2.298830557,1.714954168,16.52932501,35.83936908,45.54887502,45.54887502,41.37895002,30.86917502,0.220218789,0.477484861,0.606843782,0.606843782,0.551288226,0.411267389,3.251629167,2.178848942,1.639431945,1.639431945,1.871094445,2.454970834,0.220218789,0.477484861,0.606843782,0.606843782,0.551288226,0.411267389,6.73287657,14.84279915,15.3864371,15.3864371,12.6064871,5.599970433,23.69925001,16.64860504,17.03625834,17.03625834,15.64628334,10.02974167,6,3.2,3,6,2,5,2.12,0.911,0.908560296,3.301927249,1.889881575,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.104,0.088,0.143,0.175,2.638,5,4,1,0,0,0,0,0,0,21,1.945910149,2.079441542,1.945910149,0.693147181,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,0,109.6959078,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,84.09390038,4.671883355,10.6758508,1.779308466,0,0,0,31,4,2.776,20,1.218176471,2.110641632,2.920231743,3.624818665,4.20956433,5.623149321,0,0,0,0,72.09694811,74.21656545,75.97776173,49.50282651,15.99596024,5.713479591,0,0,0,0,273.7619267,324.0813406,375.3190545,355.723339,219.2366275,174.7885364,0,0,0,0,8.854038609,14.97827854,20.57089328,25.35640978,28.70356723,37.77892628,0,0,0,0,2.083499297,2.676344453,3.266703144,3.436886715,2.578419397,2.500124754,0,0,0,0,175.1053983,329.7792162,467.0637944,591.481282,744.8280519,1039.819569,0,0,0,0,2.938117647,3.966175231,5.615582318,6.433007096,5.266164105,5.623149321,0,0,0,0,0.432308382,0.564455092,0.695362332,0.743339458,0.576447516,0.57581049,0,0,0,0,308.2486206,113.8802649,9.015344379,159.0987277,-58.77789566,-9.107771696,149.1498928,172.6581606,18.12311607,0.659570706,0.243673716,0.019290458,0.340429294,-0.125769186,-0.019488228,144.0591754,53.22163982,4.213297289,74.35436853,-27.46969368,-4.256492951,0.144650191,0.269229561,1.798376679,6.536451906,467.3473483,0,1,0,333.2330094,18.25467089,6.932917066,449.9020669,21.21089501,7.66253838,514.0541254,22.67276175,8.010684294,1.682558449,1.124205624,294.7152142,246.294061,61.82131638,1.196598948,4.767210268,3.983966622,3.510778589,3.19886722,6.397722307,0.999996207,3.510447354,3.996750848,4.017106173,5.615814589,7.850417139,8.673690574,2.412820275,10.26977523,3.620016362,1.876015069,0.361832119,0.702631956,3.53E-16,3.42E-53,6.38E-112,2.30E-192,1.60E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0.294594214,3.965537576,0.274083254,4.45981182,0.082938217,0.487493333,0.350381861,0.398762729,0.535396876,0.119964441,0.002548457,0.004948694,2.48E-18,2.41E-55,4.49E-114,1.62E-194,1.12E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0.950975814,3.96762373,0.926316058,4.639615374,0.646110938,1.732105226,0.594040483,1.592409945,0.741517736,0.411954175,0.026556542,0.05156921,2.59E-17,2.51E-54,4.68E-113,1.69E-193,1.17E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,3.313560064,3.993324053,3.748410572,5.525176936,7.013229274,8.021703459,2.223826137,9.374952516,3.281352328,1.745000398,0.322385933,0.626032423,3.14E-16,3.04E-53,5.69E-112,2.05E-192,1.42E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,1.401573849,3.970328157,1.407248562,4.779720316,1.336263876,2.713089012,0.813957148,2.655653566,1.008763835,0.632128622,0.057684251,0.112015216,5.62E-17,5.45E-54,1.02E-112,3.66E-193,2.55E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,4.239449476,4.011159963,5.056871571,5.973963637,11.36079426,11.25896606,3.183809264,13.9127719,5.044052832,2.387797846,0.527697998,1.024722673,5.14E-16,4.98E-53,9.31E-112,3.35E-192,2.33E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,1.900077255,2.927536004,2.057643692,4.710755695,2.17420155,4.473097078,0.911728357,3.311775594,1.364919054,0.863443477,0.095701053,0.185838983,9.33E-17,9.04E-54,1.69E-112,6.08E-193,4.22E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,3.899956611,1.18020692,0.369336683,0.715653997,0.216571589,0.568424556,0.508858724,0.444427299,5.449500214,6.479046528,13.62851329,0.573480996,1.521710579,2.848940616,0.655480827,0.079623165,0.794895412,0.182888579,0.303333289,0.156964303,0.020655452,3.584044607,2.146459076,5.879194047,0.692343118,0.480953044,3.266370054,0.863884999,0.194687971,0.75524002,0.199744828,0.398734718,0.272642011,0.123490649,4.324943023,3.625879064,8.500186391,0.632860029,0.794867378,3.873936416,1.16721618,0.362164193,0.716955264,0.216018462,0.560864894,0.497718186,0.427333418,5.403316789,6.347446226,13.38836855,0.575432896,1.485916498,3.452435536,0.956779316,0.24597709,0.741631189,0.205529509,0.445455614,0.334429414,0.197126567,4.655191943,4.387784752,9.855492872,0.612446784,0.977011595,3.981418893,1.220877457,0.391791836,0.711719008,0.218244228,0.592419065,0.544534074,0.500111225,5.594088186,6.899041813,14.39756138,0.567578512,1.637064364,3.868795597,1.170552395,0.361546704,0.716324945,0.216733053,0.559377316,0.500567475,0.425877455,5.400894696,6.350587608,13.38879281,0.574487418,1.485822246 +UMLMON0164,L,2-Ethyl-1-Butene,CCC(=C)CC,12970,,"Sandia, UML",[9],C6H12,PubChem,,79.4,0,2.5849,6.68170801,34.0286,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1371.110168,1041.190084,652.078731,190.750896,18.289152,0,0,3399.790734,4147.41404,5680.578881,6178.394007,4399.966812,2000.802945,559.5073998,0,0,146.842108,144.889944,255.226976,327.505936,451.473132,167.230656,120.932352,0,0,25.74688067,32.32302034,46.13219522,55.2487354,45.74235268,20.70468079,8.003032287,0,0,3476.407621,2904.481805,5651.532332,7065.504846,11585.06369,3961.097084,3328.517736,0,0,42.8125,47.375,65.25,91.5,93.5,48,18,0,0,48.76541633,51.7541979,38.08639356,22.63456704,9.879980773,7.947954,1.016064,0,0,161.8947969,207.370702,157.7938578,134.3129132,66.66616381,83.36678939,31.08374443,0,0,6.992481333,7.2444972,7.089638222,7.119694261,6.840502,6.967944,6.718464,0,0,1.226041937,1.616151017,1.281449867,1.201059465,0.69306595,0.862695033,0.444612905,0,0,165.54322,145.2240902,156.9870092,153.5979314,175.531268,165.0457118,184.917652,0,0,2.038690476,2.36875,1.8125,1.989130435,1.416666667,2,1,0,0,0.047328423,-0.011361899,-0.001123275,-0.025073475,0.020197363,-0.028795145,0.022492219,0,0,564.9747087,-53.80711511,121.066009,-753.2996116,443.9086997,-282.4873543,242.132018,0,0,1050.594596,-100.0566282,225.1274134,-1400.792795,825.4671826,-525.297298,450.2548269,0,0,0.110674667,-0.010540444,0.023716,-0.147566222,0.086958667,-0.055337333,0.047432,0,0,4.696646663,-0.447299682,1.006424285,-6.26219555,3.690222378,-2.348323331,2.01284857,0,0,25.51225921,-2.429738973,5.466912688,-34.01634562,20.04534652,-12.75612961,10.93382538,0,0,6.142857143,-2.272959184,1.915816327,-5.24744898,5.908163265,-5.234693878,1.859693878,0,0,0.002253734,-5.68E-04,-3.12E-05,-5.45E-04,3.06E-04,-0.001199798,0.001249568,0,0,26.90355756,-2.690355756,3.362944694,-16.37607851,6.725889389,-11.77030643,13.45177878,0,0,50.0283141,-5.00283141,6.253539262,-30.45201728,12.50707852,-21.88738742,25.01415705,0,0,0.005270222,-5.27E-04,6.59E-04,-0.003207961,0.001317556,-0.002305722,0.002635111,0,0,0.223649841,-0.022364984,0.02795623,-0.136134686,0.05591246,-0.097846805,0.111824921,0,0,1.214869486,-0.121486949,0.151858686,-0.739485774,0.303717372,-0.5315054,0.607434743,0,0,0.292517007,-0.113647959,0.05321712,-0.114074978,0.089517625,-0.218112245,0.103316327,0,0,-0.252068284,-0.01384462,-0.241854376,0.135783814,-0.532359834,0.554443197,0,0,-0.1,0.125,-0.608695652,0.25,-0.4375,0.5,0,0,-0.1,0.125,-0.608695652,0.25,-0.4375,0.5,0,0,-0.1,0.125,-0.608695652,0.25,-0.4375,0.5,0,0,-0.1,0.125,-0.608695652,0.25,-0.4375,0.5,0,0,-0.1,0.125,-0.608695652,0.25,-0.4375,0.5,0,0,-0.388517442,0.181928295,-0.38997725,0.30602537,-0.745639535,0.353197674,0,0,1.541805653,0.901827926,1.227291789,0.581584642,2.021203139,0.186066534,0,0,1.5,1.011904762,1.770186335,0.454545455,1.339285714,0,0,0,1.5,1.011904762,1.770186335,0.454545455,1.339285714,0,0,0,1.5,1.011904762,1.770186335,0.454545455,1.339285714,0,0,0,1.5,1.011904762,1.770186335,0.454545455,1.339285714,0,0,0,1.5,1.011904762,1.770186335,0.454545455,1.339285714,0,0,0,1.75,0.565245478,1.34036906,0.373062016,2.848837209,0,0,0,25.28522245,12.64261122,19.04265796,25.28522245,3.612174635,12.6426203,5.33E-15,0.051037396,0.007291057,-2.08263766,21.45879418,3.065542026,2.146294183,25.28522245,12.64261122,19.04265796,25.28522245,3.612174635,12.6426203,5.33E-15,0.051037396,0.007291057,-2.08263766,21.45879418,3.065542026,2.146294183,25.28522245,12.64261122,19.04265796,25.28522245,3.612174635,12.6426203,5.33E-15,0.051037396,0.007291057,-2.08263766,21.45879418,3.065542026,2.146294183,25.28522245,12.64261122,19.04265796,25.28522245,3.612174635,12.6426203,5.33E-15,0.051037396,0.007291057,-2.08263766,21.45879418,3.065542026,2.146294183,25.28522245,12.64261122,19.04265796,25.28522245,3.612174635,12.6426203,5.33E-15,0.051037396,0.007291057,-2.08263766,21.45879418,3.065542026,2.146294183,25.28522245,12.64261122,19.04265796,25.28522245,3.612174635,12.6426203,5.33E-15,0.051037396,0.007291057,-2.08263766,21.45879418,3.065542026,2.146294183,39.743938,19.63982614,30.23433399,39.41230535,5.630329335,19.63982615,-0.464285714,0.009633875,0.001376268,-3.249728842,18.78611619,2.683730885,2.053182668,0,11.79,12.21004853,-0.306698538,0.113536538,5.285170073,8.669503307,6,20,19,19,5,1,1,0,0,1,15.304898,3.571990513,3.086096242,2.333552793,2.333552793,2.081602508,0.968947737,0.462532469,0.083923071,1.924371986,1.567242636,1.249629723,1.249629723,0.985587762,0.358274801,0.083923071,0.083923071,3.594507583,3.117441122,2.405454588,2.405454588,2.149106565,1.087479385,0.568708837,0.270913902,1.870385549,1.495994651,1.134540686,1.134540686,0.86837619,0.198831496,0.270913902,0.270913902,3.695651842,3.258166219,2.704236987,2.704236987,2.437463642,1.565243433,0.966353878,0.943918427,1.716263563,1.286682201,0.76031856,0.76031856,0.492763459,0.348503915,0.943918427,0.943918427,3.611209759,3.140712048,2.457539916,2.457539916,2.198508613,1.17271113,0.643019113,0.399277246,1.836415191,1.45056785,1.058262671,1.058262671,0.791052675,0.091015967,0.399277246,0.399277246,3.746179623,3.327894888,2.838982085,2.838982085,2.570835787,1.770550101,1.207644823,1.207644823,1.6696926,1.222140369,0.631337262,0.631337262,0.366077787,0.548585918,1.124443729,1.207644823,3.58319263,3.270969672,2.514291495,2.514291495,2.242408973,1.273086931,0.560198167,0.509090909,1.914073143,1.332855862,0.987018768,0.987018768,0.699154765,0.016227396,0.509090909,0.509090909,0,0,1,1,0,3,1,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.560660172,0.353553391,0,0,0.75,1,0.25,0.612372436,0.637136847,0.144337567,5.914213562,3.060660172,3.310660172,1,0.75,0,0,0,0.844887652,0.510110029,0.413832521,0.25,0.25,0,0,0,5.491563832,2.670049972,3.053459452,0.756710003,0.433012702,0,0,0,0.784509119,0.445008329,0.381682431,0.189177501,0.144337567,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,4,1,0,2,0,0,0,0,0,0,0,0,3,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.604375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.376597222,0.312847222,0,0,0.967152778,0.290277778,0,0.689444444,0,0,0,0,0,0,0,0,6.609166667,3.646041667,1.104166667,0,1.958333333,0,0,0,0,0,0,0,0.432291667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.958333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.376597222,0.312847222,0,0,0.225625,0.290277778,0,0.312847222,0,0,0,0,0,0,0,0,2.203055556,3.646041667,1.104166667,0,1.958333333,0,0,0,0,0,0,0,0.432291667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.646041667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.376597222,0.312847222,0,0,0.290277778,0.290277778,0,0.376597222,0,0,0,0,0,0,0,0,2.203055556,3.646041667,1.104166667,0,1.958333333,0,0,0,0,0,0,0,0.432291667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.75,1.964285714,0.376597222,3.646041667,0.043402778,0.432291667,5.201054375,0.817708333,0.646041667,2.510416667,0.817708333,0.646041667,2.510416667,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0,0.14286,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.4148,0.9164,7.77542,1.36063,0.19438,2.49578,0.35654,3.06066,0.56488,0.0807,0.35334,0.05048,0.35334,0.05048,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.127387765,2.616878732,2.616878732,2.407720759,1.666326964,19.28421252,44.67514307,54.95445336,54.95445336,50.56213594,34.99286625,0.209068641,0.484342902,0.595785432,0.595785432,0.548166384,0.379373074,3.474021589,2.264929658,1.775438691,1.775438691,1.984596664,2.725990459,0.209068641,0.484342902,0.595785432,0.595785432,0.548166384,0.379373074,6.73287657,15.74885826,16.24217951,16.24217951,13.73228384,8.386886556,27.64912502,18.81705526,18.45511557,18.45511557,17.20016773,14.04411636,7,2.34375,6,7,2,5,2.23,1.0519,2.121320344,3.746748298,0,3.039342743,1,0,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.159,0.147,0.088,0.146,2.748,8,4,3,0,0,0,0,0,0,28,2.079441542,2.302585093,1.791759469,1.945910149,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,3,0.666666667,0.375,0,0,0,0,0,0,0,0.5,0.083333333,0.09375,0,0,0,0,0,0,0,0.677083333,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,0,126.9918924,3.807354922,3.36729583,3.970291914,4.812184355,5.433722004,6.285998095,6.91274282,7.767687277,8.395929104,9.25157828,69.19742968,2.564949357,0,3.80666249,0,5.198497031,0,6.650279049,0,8.123557835,8.386628821,98.10955045,4.671883355,12.44898539,1.778426484,0,0,0,46,4,3.933,28,1.2236,2.128188124,2.970473092,3.44893478,4.331238695,5.292209298,0,0,0,0,73.7959167,92.45740652,71.55148762,40.71533997,37.91829455,5.377223348,0,0,0,0,278.2003652,367.6302961,409.6035711,249.780336,387.4331452,164.5016813,0,0,0,0,8.897867644,15.15715904,21.16611167,23.6410227,30.3055715,35.55551765,0,0,0,0,2.110244062,2.919058182,3.627428368,2.514217988,3.94725971,2.352984549,0,0,0,0,175.6104775,329.1751612,455.1187844,601.8497258,704.8365256,978.6229174,0,0,0,0,2.94860625,4.05651428,5.975052415,5.116002123,9.120423327,5.292209298,0,0,0,0,0.43759575,0.611536828,0.772251791,0.550477804,0.859351058,0.541922232,0,0,0,0,348.0904295,152.1005579,10.46954152,120.9515135,-52.85061331,-7.64113451,227.138916,204.9511712,18.11067603,0.742130709,0.324279225,0.02232112,0.257869291,-0.112677798,-0.016290941,163.2690114,71.34154122,4.910654099,56.73133291,-24.78915435,-3.584012578,0.129639694,0.234836511,1.580210459,6.055939105,469.041943,0,1,0,393.1393776,19.82774263,7.32569526,529.3948196,23.00858143,8.089590956,657.1045344,25.63405029,8.693836893,1.544623655,1.281441922,322.5246562,317.8674282,116.173385,1.014651479,2.776235332,2.736146735,3.824577987,3.477616438,6.522110511,0.875454245,4.149594424,4.863415982,3.404129819,16.62774704,3.827229293,6.771185468,5.777380884,4.809792209,3.744880806,1.939333375,0.713258269,1.904596212,2.41E-10,5.90E-42,2.78E-95,2.53E-170,4.43E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348257413,4.863167282,0.194248329,8.295762281,0.811714195,0.389099397,0.401149427,0.309668544,0.864872204,0.064430472,0.035655945,0.013414227,1.70E-12,4.15E-44,1.96E-97,1.78E-172,3.12E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,1.124191339,4.86318438,0.687307528,9.694762114,1.033665749,1.36699113,0.955649968,1.061561893,1.185786022,0.272778128,0.131049703,0.139786586,1.77E-11,4.33E-43,2.04E-96,1.85E-171,3.25E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,3.916879296,4.863388847,3.150261275,16.01092474,3.503386278,6.265565312,5.256190779,4.475332768,3.47412808,1.762870371,0.656592506,1.696960935,2.15E-10,5.25E-42,2.48E-95,2.25E-170,3.95E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.656845653,4.863206114,1.073921729,10.74472327,1.302890393,2.134731333,1.497496321,1.627203204,1.485348457,0.467573355,0.209278162,0.303635144,3.85E-11,9.40E-43,4.43E-96,4.03E-171,7.06E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,5.011233796,4.863529977,4.409220899,19.03276235,5.184365492,8.773744882,7.92518417,6.115095413,4.854586561,2.662732628,0.940305734,2.777674578,3.52E-10,8.60E-42,4.05E-95,3.69E-170,6.46E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,2.26555339,3.190555999,1.355599262,10.79897481,1.637321154,3.216563717,2.184296857,2.481142198,2.420453071,0.844940477,0.288124044,0.493620969,6.25E-11,1.53E-42,7.20E-96,6.55E-171,1.15E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,3.237124687,1.205295638,1.028264292,0.591722045,0.220318977,0.409879533,0.491408057,0.408096509,5.470684617,8.469674457,17.95232991,0.387583067,1.309384099,2.690799754,0.616012449,0.568244257,0.694389819,0.158968638,0.283470647,0.128534574,0.124630254,3.87505646,3.536643189,8.353602093,0.541584729,0.536635474,2.907754366,0.850084523,0.750949283,0.644908178,0.188539468,0.330896964,0.244656478,0.217657975,4.508788172,5.293783401,11.65879578,0.467362267,0.793211418,3.223596371,1.190709496,1.016875492,0.593535026,0.21923582,0.406469698,0.479605035,0.39910662,5.43118136,8.327166264,17.66148877,0.390302539,1.285181353,3.004471714,0.954408332,0.832388433,0.627072293,0.199197423,0.353216665,0.308317299,0.267427118,4.79126848,6.162818798,13.34095515,0.44060844,0.928961082,3.279479188,1.250959997,1.063919584,0.586211811,0.223610971,0.420646874,0.529282928,0.436888866,5.594358769,8.92252025,18.88160621,0.379317717,1.386818669,3.251361799,1.188793008,1.016106066,0.595895591,0.217876864,0.413531162,0.478121732,0.398502875,5.456260872,8.376864404,17.76057455,0.393843387,1.290155769 +UMLMON0165,L,"4,4-Dimethyl-1-Pentene",CC(C)(C)CC=C,12984,,"Sandia, UML",[9],C7H14,PubChem,,85.4,0,0.9796,0.95961616,28.1049,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,924.178589,697.201851,456.166706,143.338608,15.24096,0,0,2914.106344,3494.423905,4233.124071,3990.857093,2907.715577,1572.940224,466.2561665,0,0,125.864664,123.114164,212.050868,239.27646,248.298824,145.478592,100.77696,0,0,22.06875486,27.30703172,35.7627251,36.19725956,28.72181563,16.69511646,6.669193573,0,0,2979.777961,2471.442353,4748.191412,5445.13309,6159.247629,3533.524545,2773.76478,0,0,36.27777778,40.08333333,54.16666667,63.16666667,54.5,35,15,0,0,48.76541633,50.97680359,30.80595297,20.50593679,12.67129739,6.825648,1.016064,0,0,161.8947969,205.5543474,141.1041357,117.3781498,80.76987715,74.90191545,31.08374443,0,0,6.992481333,7.242009647,7.068362267,7.037542941,6.897189556,6.927552,6.718464,0,0,1.226041937,1.606295984,1.192090837,1.064625281,0.797828212,0.795005546,0.444612905,0,0,165.54322,145.3789619,158.2730471,160.1509732,171.0902119,168.2630736,184.917652,0,0,2.015432099,2.357843137,1.805555556,1.857843137,1.513888889,1.666666667,1,0,0,0.039124775,-0.004409176,-0.00832854,-0.018822097,0.011110003,-0.012156049,0.013043472,0,0,484.264036,-53.80711511,-40.35533633,-269.0355756,80.71067267,-161.4213453,201.7766817,0,0,900.5096538,-100.0566282,-75.04247115,-500.283141,150.0849423,-300.1698846,375.2123557,0,0,0.094864,-0.010540444,-0.007905333,-0.052702222,0.015810667,-0.031621333,0.039526667,0,0,4.025697139,-0.447299682,-0.335474762,-2.236498411,0.670949523,-1.341899046,1.677373808,0,0,21.86765075,-2.429738973,-1.822304229,-12.14869486,3.644608459,-7.289216918,9.111521147,0,0,5.160493827,-1.528120713,1.062757202,-2.963648834,1.688271605,-2.326131687,1.486625514,0,0,0.002173599,-2.59E-04,-2.78E-04,-5.54E-04,3.09E-04,-5.79E-04,8.70E-04,0,0,26.90355756,-3.165124418,-1.345177878,-7.912811046,2.24196313,-7.68673073,13.45177878,0,0,50.0283141,-5.885684011,-2.501415705,-14.71421003,4.169026175,-14.29380403,25.01415705,0,0,0.005270222,-6.20E-04,-2.64E-04,-0.001550065,4.39E-04,-0.001505778,0.002635111,0,0,0.223649841,-0.026311746,-0.011182492,-0.065779365,0.018637487,-0.063899955,0.111824921,0,0,1.214869486,-0.142925822,-0.060743474,-0.357314555,0.101239124,-0.347105568,0.607434743,0,0,0.286694102,-0.089889454,0.03542524,-0.087166142,0.046896433,-0.110768176,0.099108368,0,0,-0.119324369,-0.12772276,-0.25468874,0.141981679,-0.266313878,0.400057682,0,0,-0.117647059,-0.05,-0.294117647,0.083333333,-0.285714286,0.5,0,0,-0.117647059,-0.05,-0.294117647,0.083333333,-0.285714286,0.5,0,0,-0.117647059,-0.05,-0.294117647,0.083333333,-0.285714286,0.5,0,0,-0.117647059,-0.05,-0.294117647,0.083333333,-0.285714286,0.5,0,0,-0.117647059,-0.05,-0.294117647,0.083333333,-0.285714286,0.5,0,0,-0.313537855,0.123564593,-0.30403884,0.163576555,-0.386363636,0.34569378,0,0,1.410578496,1.147823276,1.222907152,0.742539615,1.191828999,0.083119264,0,0,1.5,1.133333333,1.3125,0.708333333,1.113095238,0,0,0,1.5,1.133333333,1.3125,0.708333333,1.113095238,0,0,0,1.5,1.133333333,1.3125,0.708333333,1.113095238,0,0,0,1.5,1.133333333,1.3125,0.708333333,1.113095238,0,0,0,1.5,1.133333333,1.3125,0.708333333,1.113095238,0,0,0,1.663277512,0.584120813,1.526016746,0.621486244,1.568694463,0,0,0,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,28.54046478,14.09430646,23.24723,28.30589688,4.71764948,14.09430827,-0.351851852,0.180238238,0.030039706,-1.028085457,93.97254921,15.66209153,2.725801626,0,11.89,12.11007471,-0.173307264,0.049641164,5.172182174,7.378699054,5,17,16,16,4,1,1,0,0,1,13.118484,3.509509789,3.00861965,2.262902659,2.141043573,1.379788877,0.424417096,0.083923071,0.083923071,1.874624087,1.584109337,1.164868237,1.042942187,0.64012244,0.083923071,0.083923071,0.083923071,3.532363468,3.048689896,2.333133822,2.209460257,1.486312014,0.536930715,0.270913902,0.270913902,1.818000681,1.503276574,1.051065661,0.927186419,0.492791327,0.270913902,0.270913902,0.270913902,3.636051457,3.223537309,2.626375934,2.499237151,1.915342416,0.963715902,0.943918427,0.943918427,1.657359637,1.258033258,0.681610229,0.554435053,0.006770143,0.943918427,0.943918427,0.943918427,3.549373664,3.078163968,2.384102426,2.259374684,1.562752636,0.616168921,0.399277246,0.399277246,1.782439346,1.451112172,0.975670975,0.850703196,0.393624383,0.399277246,0.399277246,0.399277246,3.688375087,3.307384409,2.759159287,2.632200336,2.10108654,1.207644823,1.207644823,1.207644823,1.609293453,1.179526588,0.554654643,0.427824615,0.187161211,1.134156544,1.207644823,1.207644823,3.586723341,3.095911212,2.525735629,2.313103709,1.572946203,0.637933494,0.514285714,0.514285714,1.816692529,1.398803173,0.917864366,0.681223289,0.34634166,0.514285714,0.514285714,0.514285714,0,0,1,0,1,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.25,0,0,0,0.288675135,0.288675135,0,0.176776695,0.176776695,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.621320344,2.414213562,1.707106781,0.676776695,0.426776695,0,0,0,0.770220057,0.482842712,0.341421356,0.225592232,0.213388348,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,3,2,0,1,0,0,0,0,0,0,0,0,2,1,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.034212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368819444,0,0,0,0.759305556,0.580555556,0,0.368819444,0,0,0,0,0,0,0,0,4.220416667,3.744861111,2.412037037,0,0,0,0,0,0,1.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368819444,0,0,0,0.225625,0.290277778,0,0.368819444,0,0,0,0,0,0,0,0,2.059027778,3.744861111,1.180555556,0,0,0,0,0,0,1.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.744861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368819444,0,0,0,0.290277778,0.290277778,0,0.368819444,0,0,0,0,0,0,0,0,2.161388889,3.744861111,1.231481481,0,0,0,0,0,0,1.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.66666667,1.944444444,0.368819444,3.744861111,0.081597222,1.180555556,3.994889074,0.377314815,0.744861111,1.930555556,0.377314815,0.744861111,1.930555556,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.50196,0.75033,5.69868,1.19673,0.19945,2.22875,0.37146,2.77005,0.5413,0.09022,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.213298282,3.308270835,3.308270835,3.076608334,2.261069445,16.52932501,39.83936908,59.54887502,59.54887502,55.37895002,40.69925001,0.220218789,0.53077652,0.793364589,0.793364589,0.737809033,0.542232641,3.251629167,1.956626719,0.861654167,0.861654167,1.093316667,1.908855556,0.220218789,0.53077652,0.793364589,0.793364589,0.737809033,0.542232641,6.73287657,17.50946582,18.61300657,18.61300657,15.83305657,9.918186589,23.69925001,13.75537171,13.03809584,13.03809584,11.64812084,8.163743058,6,3.2,5.333333333,6,2,5,2.12,0.911,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.104,0.088,0.143,0.175,2.638,5,3,2,0,0,0,0,0,0,21,1.945910149,2.079441542,1.609437912,1.386294361,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,109.6959078,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,84.09390038,4.671883355,10.67917749,1.779862916,0,0,0,32,3,2.881,20,1.218176471,2.110601001,2.932698089,3.572508005,4.508951691,5.488026661,0,0,0,0,72.09694811,74.30938985,66.9830753,54.50861221,34.05797138,5.576186321,0,0,0,0,273.7619267,324.294709,363.7635244,317.5541809,362.4791392,170.5884182,0,0,0,0,8.854038609,14.97828794,20.68315813,24.71652767,31.35409745,36.87110955,0,0,0,0,2.083499297,2.677482179,3.241348729,3.035222925,3.782555501,2.440047476,0,0,0,0,175.1053983,329.7544042,466.4994325,605.5816193,749.2829873,1014.833004,0,0,0,0,2.944308824,3.998058916,5.568553144,5.603822318,7.838853047,5.488026661,0,0,0,0,0.432308382,0.564673059,0.692083803,0.657742344,0.827415843,0.56197393,0,0,0,0,345.7454924,129.0262223,10.45593991,162.1492469,-60.51128716,-10.50042628,183.5962455,189.5375094,20.95636619,0.680742417,0.254041265,0.020586825,0.319257583,-0.119141394,-0.020674414,175.6023167,65.53173953,5.310516876,82.3547495,-30.73336442,-5.33311127,0.143178198,0.267189428,4.510370501,6.184421945,507.8947393,0,1,0,333.2330094,18.25467089,6.932917066,449.9020669,21.21089501,7.66253838,502.1520734,22.40874993,7.948376307,1.524863477,1.524863477,320.5330172,269.0760086,64.85717175,1.191235959,4.94213683,4.148747184,3.6421286,3.477616438,6.454645435,0.856054442,3.510134988,3.965523711,4.772086919,10.38910679,2.338632526,3.938684801,2.588672017,8.163641833,1.939448387,1.654087221,0.11409806,1.628283808,2.42E-13,6.96E-48,3.86E-104,4.12E-182,8.49E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0.294592014,3.965317641,0.192876381,4.646356408,0.029704862,0.186749218,0.30638318,0.315332559,0.936676212,0.023743503,8.35E-04,0.011468136,1.71E-15,4.90E-50,2.72E-106,2.90E-184,5.98E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0.950952888,3.965331835,0.759429803,5.245572743,0.205094294,0.697478956,0.662079463,1.260184006,1.126065737,0.15247152,0.008454788,0.119506819,1.78E-14,5.11E-49,2.83E-105,3.02E-183,6.23E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,3.313281751,3.965501237,4.361507739,9.834830795,2.092597791,3.618740881,2.409978309,7.450694011,1.87264759,1.482089116,0.101680928,1.450771558,2.16E-13,6.20E-48,3.44E-104,3.67E-182,7.57E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,1.401524051,3.965349854,1.25766561,5.827051963,0.413356018,1.123829408,0.938964829,2.103918062,1.260617899,0.301428875,0.018287696,0.25958478,3.87E-14,1.11E-48,6.15E-105,6.57E-183,1.35E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,4.238993919,3.965618119,6.440158184,12.67150208,3.368449046,5.22576876,3.294546008,11.06733024,2.192926369,2.37288469,0.166298926,2.374698905,3.54E-13,1.02E-47,5.63E-104,6.01E-182,1.24E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,1.899994637,2.95134019,1.615036861,6.47688654,0.679806903,1.501221817,1.059260407,2.726447616,1.448690569,0.479094842,0.030285749,0.430664452,6.41E-14,1.84E-48,1.02E-104,1.09E-182,2.25E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,4.087574431,1.237328514,0.369336683,0.717843768,0.217294774,0.563798613,0.468392481,0.444427299,5.694239629,7.024354391,14.58657797,0.576765652,1.476618394,3.132393952,0.694175952,0.079623165,0.801904539,0.177711634,0.331998834,0.150656041,0.020655452,3.906193068,2.479116158,6.558444428,0.702856809,0.503310327,3.511332882,0.910326271,0.194687971,0.760630167,0.197196235,0.416596104,0.256819851,0.123490649,4.616347124,4.057302417,9.295961573,0.64094525,0.796906604,4.063887342,1.223921099,0.362164193,0.71927558,0.216624253,0.557305446,0.458532136,0.427333418,5.649972634,6.888932339,14.34026529,0.57891337,1.443171,3.680435086,1.00647984,0.24597709,0.746100882,0.204034436,0.457469402,0.312730254,0.197126567,4.932892017,4.857157414,10.70121836,0.619151323,0.967326223,4.161743349,1.279292586,0.391791836,0.713503555,0.219326309,0.584375552,0.499902719,0.500111225,5.832827771,7.455840871,15.37460262,0.570255332,1.584389496,4.06655996,1.230298281,0.361546704,0.718676023,0.217428461,0.558155859,0.46449127,0.425877455,5.658404944,6.918143363,14.38539601,0.578014034,1.448524584 +UMLMON0166,L,2-Methyl-1-Pentene,CCCC(=C)C,12986,,"Sandia, UML",[1],C6H12,PubChem,,81.5,0,3.1124,9.68703376,40.2054,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1179.348079,1360.019144,1085.549309,801.251812,734.534308,290.570112,36.578304,0,3823.307636,4570.930941,5596.926009,5590.766744,4462.365802,3443.911937,2753.678793,1119.0148,0,154.382624,152.43046,254.827808,257.950004,345.598096,196.195216,170.823168,241.864704,0,28.53578067,35.11192034,45.46326382,47.7954422,42.31069611,29.85348658,26.72506344,16.00606457,0,3603.201977,3031.276161,5683.327436,5412.565864,8504.667748,4563.659821,3674.941145,6657.035473,0,43.55555556,52,70,79.11111111,75.33333333,48,48,36,0,53.10626655,56.15943233,37.77830956,30.15414747,16.02503624,26.23336814,12.107088,1.016064,0,173.7867107,217.6633782,155.4701669,155.2990762,89.24731604,122.9968549,114.7366164,31.08374443,0,7.017392,7.258593333,7.078550222,7.165277889,6.91196192,7.006972,7.117632,6.718464,0,1.297080939,1.671996207,1.262868439,1.327651172,0.846213922,1.066195949,1.11354431,0.444612905,0,163.781908,144.3464838,157.8702066,150.3490518,170.093355,162.9878508,153.1225477,184.917652,0,1.97979798,2.476190476,1.944444444,2.197530864,1.506666667,1.714285714,2,1,0,0.043729913,0.004593357,-0.008593573,-0.034738628,0.015540693,0.003046431,-0.028812077,0.02709884,0,616.3360458,-49.02673092,136.0741919,-579.3158612,228.1243806,52.0283675,-672.3665954,576.3142247,0,1146.103196,-91.16729966,253.0357705,-1077.262582,424.207027,96.74897106,-1250.294395,1071.68091,0,0.120736,-0.009604,0.026656,-0.113484,0.044688,0.010192,-0.131712,0.112896,0,5.123614541,-0.407560248,1.131187626,-4.815864966,1.896402785,0.432512916,-5.589397681,4.790912298,0,27.8315555,-2.213873733,6.144629137,-26.15985493,10.30129002,2.349417023,-30.36169691,26.02431164,0,4.444444444,-1.333333333,2.444444444,-4.444444444,0.666666667,1.777777778,-5.333333333,4,0,0.001987723,2.19E-04,-2.39E-04,-9.65E-04,3.11E-04,1.09E-04,-0.001200503,7.53E-04,0,28.01527481,-2.334606234,3.779838665,-16.09210726,4.562487612,1.858155982,-28.01527481,16.00872846,0,52.0955998,-4.341299984,7.028771402,-29.9239606,8.48414054,3.455320395,-52.0955998,29.76891417,0,0.005488,-4.57E-04,7.40E-04,-0.003152333,8.94E-04,3.64E-04,-0.005488,0.003136,0,0.23289157,-0.019407631,0.031421878,-0.133774027,0.037928056,0.01544689,-0.23289157,0.133080897,0,1.265070705,-0.105422559,0.170684143,-0.726662637,0.2060258,0.083907751,-1.265070705,0.722897546,0,0.202020202,-0.063492063,0.067901235,-0.12345679,0.013333333,0.063492063,-0.222222222,0.111111111,0,0.110041114,-0.120092344,-0.48546087,0.156366765,0.054736541,-0.60395891,0.378697355,0,-0.083333333,0.134920635,-0.574404762,0.162857143,0.066326531,-1,0.571428571,0,-0.083333333,0.134920635,-0.574404762,0.162857143,0.066326531,-1,0.571428571,0,-0.083333333,0.134920635,-0.574404762,0.162857143,0.066326531,-1,0.571428571,0,-0.083333333,0.134920635,-0.574404762,0.162857143,0.066326531,-1,0.571428571,0,-0.083333333,0.134920635,-0.574404762,0.162857143,0.066326531,-1,0.571428571,0,-0.314285714,0.336111111,-0.611111111,0.066,0.314285714,-1.1,0.55,0,1.101865281,1.323153486,1.620165828,0.773186945,1.215530689,1.216963636,0,0,1.375,0.916666667,1.71875,0.66,0.883928571,2.0625,0,0,1.375,0.916666667,1.71875,0.66,0.883928571,2.0625,0,0,1.375,0.916666667,1.71875,0.66,0.883928571,2.0625,0,0,1.375,0.916666667,1.71875,0.66,0.883928571,2.0625,0,0,1.375,0.916666667,1.71875,0.66,0.883928571,2.0625,0,0,1.65,0.554166667,1.895833333,0.777,0.45,2.3625,0,0,30.77973384,15.38986692,23.28153786,30.77973384,3.84746673,15.3898676,1.60E-14,1.67E-16,2.08E-17,-29.06506837,25.18417526,3.148021907,2.580972665,30.77973384,15.38986692,23.28153786,30.77973384,3.84746673,15.3898676,1.60E-14,1.67E-16,2.08E-17,-29.06506837,25.18417526,3.148021907,2.580972665,30.77973384,15.38986692,23.28153786,30.77973384,3.84746673,15.3898676,1.60E-14,1.67E-16,2.08E-17,-29.06506837,25.18417526,3.148021907,2.580972665,30.77973384,15.38986692,23.28153786,30.77973384,3.84746673,15.3898676,1.60E-14,1.67E-16,2.08E-17,-29.06506837,25.18417526,3.148021907,2.580972665,30.77973384,15.38986692,23.28153786,30.77973384,3.84746673,15.3898676,1.60E-14,1.67E-16,2.08E-17,-29.06506837,25.18417526,3.148021907,2.580972665,30.77973384,15.38986692,23.28153786,30.77973384,3.84746673,15.3898676,1.60E-14,1.67E-16,2.08E-17,-29.06506837,25.18417526,3.148021907,2.580972665,32.58023,16.265115,24.29671821,32.54273,4.06784125,16.26511526,-0.05,5.00E-16,6.25E-17,-28.18617854,26.33645894,3.292057367,2.6167634,0,11.89,12.11011416,-0.170885669,0.051541342,5.973170219,7.861305017,7,21,19,19,5,2,2,0,0,2,15.304898,3.621530025,3.238315028,2.372530369,2.333552793,2.333552793,1.611468734,0.393023639,0.324855985,1.893675652,1.680902632,1.249629723,1.249629723,1.113117954,0.53833526,0.083923071,0.083923071,3.637414965,3.2652931,2.427097074,2.405454588,2.405454588,1.680144374,0.504261424,0.460945299,1.848484396,1.612082434,1.134540686,1.134540686,1.016070573,0.414863225,0.270913902,0.270913902,3.711091005,3.389929379,2.704236987,2.704236987,2.661574642,1.972238685,0.959346971,0.959091751,1.726606923,1.415852807,0.76031856,0.76031856,0.706816038,0.028322958,0.943918427,0.943918427,3.649313266,3.285510591,2.467101528,2.457539916,2.457539916,1.730289304,0.585048075,0.55563929,1.820714114,1.568688333,1.058262671,1.058262671,0.95217058,0.334220045,0.399277246,0.399277246,3.749447304,3.453688887,2.838982085,2.838982085,2.770829682,2.107741267,1.207644823,1.207644823,1.691799379,1.357490544,0.631337262,0.631337262,0.603302666,0.100040088,1.148961536,1.152463116,3.646269923,3.287814998,2.536263179,2.534194529,2.534194529,1.779914808,0.623923313,0.614021993,1.810216288,1.542125474,0.968977137,0.968977137,0.871535511,0.264330941,0.52173913,0.52173913,0,0,0,2,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.577350269,0,0,0,0.577350269,0.333333333,0.666666667,0.333333333,0.166666667,0.333333333,6.568914101,3.625897658,3.365043969,1.321367205,0.666666667,0.666666667,0,0,0.821114263,0.51798538,0.420630496,0.264273441,0.166666667,0.166666667,0,0,6.154700538,2.910683603,2.488033872,0.75,0.333333333,0.333333333,0,0,0.769337567,0.415811943,0.311004234,0.15,0.083333333,0.083333333,0,0,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.77118,38.322,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.67E-16,2.08E-17,-29.06506837,28.15755615,3.519694518,2.670252594,56,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,4,0,2,0,0,0,0,0,0,0,0,4,0,0,0,2,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.946666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.726388889,0,0,0,1.263611111,0,0.726388889,0,0,0,0,0,0,0,0,8.386666667,0,0,0,4.240740741,0,0,0,0,2.705925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.352962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.315902778,0,0.363194444,0,0,0,0,0,0,0,0,2.096666667,0,0,0,2.12037037,0,0,0,0,1.352962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.315902778,0,0.363194444,0,0,0,0,0,0,0,0,2.096666667,0,0,0,2.12037037,0,0,0,0,1.352962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.33333333,1.916666667,0.363194444,2.12037037,0.105,1.352962963,4.428911852,0.313703704,0.12037037,1.254814815,0.313703704,0.12037037,1.254814815,4,0.5,0,0,0.44545,0.7,0.42308,0.42308,0.7,0.02238,0.02238,0,0,0.71429,0,0,0.5,0.25,0,6.5,0.8125,3.5,0.4375,3,0.375,-0.5,-0.0625,0,0,6.13526,0.76691,8.87961,2.74435,0.34304,2.19816,0.27477,3.62588,1.42772,0.17847,0.28812,0.03601,0.28812,0.03601,0,7,0,0,0,0,0,0,0.5,0.945660305,1.867633891,1.867633891,1.867633891,1.867633891,1.553140107,20.8045267,41.0879456,41.0879456,41.0879456,41.0879456,34.16908236,0.212058483,0.418805366,0.418805366,0.418805366,0.418805366,0.348282077,3.513771314,2.591797728,2.591797728,2.591797728,2.591797728,2.906291511,0.209052139,0.412867981,0.412867981,0.412867981,0.412867981,0.343344498,6.786633838,13.7115537,13.7115537,13.7115537,13.7115537,9.937628296,31.28312609,24.63270148,24.63270148,24.63270148,24.63270148,20.85877608,8,3.9375,7.2,8,4,6,2.34,1.1498,1.62865057,3.265986324,4,0,1,2.828427125,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.088,0.279,0.328,3.6,8,5,4,4,0,0,0,0,0,36,2.302585093,2.708050201,2.564949357,2.833213344,2.833213344,0,0,0,0,0,4.33073334,2.083333333,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,5,0.714285714,0,3,5,0.666666667,2.5,0.666666667,0.25,0.32,0,0,0,0,0,0,0.357142857,0.083333333,0.05,0.08,0,0,0,0,0,0,0.57047619,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.67E-16,2.08E-17,-29.06506837,28.15755615,3.519694518,2.670252594,0,141.6514183,4,3.433987204,4.043051268,4.779123493,5.424950017,6.150602768,6.814542897,7.529943371,8.204398418,8.912338567,70.292938,2.708050201,0,3.850147602,0,5.105945474,0,6.408528791,0,7.738488122,8.049746291,110.1095504,5.004979566,14.50192071,1.812740089,0,0,0,74,5,3.128,30,1.211936671,2.100058557,3.0845735,3.671608836,4.604727295,5.908065528,6.238416604,0,0,0,78.55942786,92.49104103,100.6539275,70.63647891,142.5243188,71.52946925,6.338630529,0,0,0,288.3218612,363.6452397,496.837827,361.7080674,635.9936069,677.8714479,193.9133474,0,0,0,8.830546778,14.94786192,22.12598063,25.45645999,32.4535275,42.05143626,41.91257737,0,0,0,2.159433602,2.877546269,4.191674871,3.315644907,5.357572026,6.578892751,2.773680528,0,0,0,172.8474454,325.629516,462.2645469,618.8559571,736.5209484,904.6580456,1153.593351,0,0,0,3.114260634,4.3549923,6.877884217,5.750281707,8.431241717,11.81613106,6.238416604,0,0,0,0.446765435,0.602574854,0.885227526,0.713943615,1.1348635,1.417935727,0.63881386,0,0,0,313.7348886,142.0060073,9.233755978,100.9816198,-45.70737002,-5.505395023,212.7532687,187.7133773,14.739151,0.756504461,0.342417059,0.022265224,0.243495539,-0.110213529,-0.01327508,130.1110375,58.89223551,3.829391039,41.87874479,-18.9556009,-2.283178201,0.136309922,0.167258293,1.516773697,1.951477721,414.7165084,0,1,0,482.6596478,21.96951633,7.844170001,623.3458804,24.96689569,8.54233039,772.698755,27.79745951,9.176352133,1.404670188,1.404670188,649.1194404,540.2850278,121.6623309,1.201438883,5.335418414,4.440857116,4.465718572,4.487038913,7.752290869,0.727707519,5.923422169,4.920527978,4.485482109,10.06594518,2.324088985,7.895991289,5.439945845,6.151837802,4.759761356,2.288267592,8.88416447,4.189872706,6.247015516,0.004803335,0.004322797,1.05E-24,4.88E-68,4.40E-133,7.64E-220,0,0,0,0,0,0,0,0,0,0,0,0.497122881,4.908487684,0.22144975,7.355011031,1.671608904,0.449111973,0.402657288,0.90817753,1.808490046,0.432007058,0.627429697,0.194793571,0.137720412,3.39E-05,3.04E-05,7.37E-27,3.44E-70,3.10E-135,5.38E-222,0,0,0,0,0,0,0,0,0,0,0,1.60474625,4.909292353,0.816991268,7.764644892,1.761899387,1.582107467,1.046095025,1.682603993,2.392429912,0.623379242,2.103010841,0.707578402,0.699285977,3.53E-04,3.17E-04,7.68E-26,3.58E-69,3.23E-134,5.61E-221,0,0,0,0,0,0,0,0,0,0,0,5.591228015,4.9192061,4.127212385,9.849138376,2.26896993,7.303165657,4.995444143,5.726139261,4.572549904,2.108286692,8.304474757,3.838213009,5.630511627,0.004279701,0.003851534,9.32E-25,4.35E-68,3.92E-133,6.80E-220,0,0,0,0,0,0,0,0,0,0,0,2.36509497,4.910335547,1.307417059,8.0885208,1.836617271,2.474802847,1.602044081,2.302087184,2.798772684,0.810431835,3.178243353,1.149465819,1.288313903,7.66E-04,6.89E-04,1.67E-25,7.79E-69,7.01E-134,1.22E-220,0,0,0,0,0,0,0,0,0,0,0,7.1533876,4.926086275,5.922389548,10.92641425,2.545399764,10.24643493,7.240292455,7.846870315,5.460343071,3.029982168,11.11476389,5.61349591,8.804989305,0.007005135,0.006304393,1.53E-24,7.12E-68,6.41E-133,1.11E-219,0,0,0,0,0,0,0,0,0,0,0,3.224854277,4.589467161,1.678994385,8.753322581,2.071310674,3.527005241,2.158305881,2.979738987,2.905060639,1.030038537,4.408878906,1.6849169,2.032356275,0.001307608,0.001176716,2.85E-25,1.33E-68,1.20E-133,2.08E-220,0,0,0,0,0,0,0,0,0,0,0,6.318197271,1.943780882,0.28927997,0.738861718,0.227309345,0.679222132,0.657068085,0.363628448,8.551258122,14.67121585,26.77517655,0.608292578,1.699918665,4.848305464,1.046523728,0.058213001,0.814424845,0.175796457,0.399669885,0.190016396,0.014725196,5.953042192,5.417022402,11.6654296,0.721637267,0.604411477,5.408030304,1.388203758,0.14620277,0.778981564,0.199959149,0.497422085,0.334680164,0.092882165,6.942436832,8.501076237,16.54112276,0.668472347,0.924984414,6.279279917,1.920025864,0.283162266,0.740265673,0.226352266,0.670869543,0.641072182,0.348411022,8.482468048,14.37811386,26.27449375,0.610398509,1.660352748,5.667440429,1.546554128,0.186982059,0.765769266,0.208966223,0.546354621,0.4155612,0.151922116,7.400976616,10.11389095,19.15376594,0.648653899,1.113837937,6.440930785,2.018696666,0.308573316,0.734578388,0.230229293,0.705902542,0.708808899,0.413749861,8.768200767,15.61270079,28.39305991,0.601867582,1.828461302,6.27866585,1.920081712,0.282742569,0.740278625,0.226384949,0.670737887,0.641108075,0.347378972,8.481490131,14.37368642,26.26379415,0.610417937,1.659224934 +UMLMON0167,L,"2,5-dimethyl-2,4-hexadiene",CC(=CC=C(C)C)C,12992,,UML,[1],C8H14,PubChem,,78.9,0,2.764,7.639696,49.8384,25.601516,0,0,22,10,12,0,10,0,0,0,0,0,0,0,0,0,1454.833978,1587.926266,1955.19342,1641.439809,1237.006687,967.526621,507.55757,109.049472,6.096384,4608.173951,5612.008414,7333.964382,7148.612352,5567.899424,4536.651814,3201.644959,1290.897864,186.5024666,156.026728,160.816744,258.914352,294.032196,314.8711,206.929076,223.420808,137.562624,40.310784,33.22435486,41.25153172,56.17827501,58.0577923,47.78942427,37.99383782,30.28802103,14.24370934,2.667677429,3486.955385,3105.414133,5387.244044,6168.251149,7373.914496,4436.093343,5260.6015,3443.992206,1109.505912,49.55555556,60,84.11111111,92,78.66666667,62.66666667,54.66666667,28,6,66.12881718,72.17846664,54.31092833,40.03511729,27.48903749,33.36298693,15.86117406,5.4524736,1.016064,209.4624523,255.0912915,203.7212328,174.3563988,123.7310983,156.4362694,100.051405,64.54489321,31.08374443,7.092124,7.309852,7.192065333,7.171516976,6.997135556,7.135485379,6.98190025,6.8781312,6.718464,1.510197948,1.875069624,1.560507639,1.416043715,1.061987206,1.310132339,0.946500657,0.712185467,0.444612905,158.4979721,141.1551879,149.6456679,150.44515,163.8647666,152.968736,164.3937969,172.1996103,184.917652,2.252525253,2.727272727,2.336419753,2.243902439,1.748148148,2.16091954,1.708333333,1.4,1,0.05810288,2.90E-04,-0.015464703,-0.02671841,0.018443623,-0.014717422,-0.005827196,0.004775711,0.010166609,660.3600491,-6.39E-14,42.02291221,-416.22694,267.1456562,-320.1745693,-113.0616448,60.03273174,150.0818293,1227.96771,4.69E-13,78.14339971,-773.9917685,496.7687553,-595.3782835,-210.2429564,111.6334282,279.0835704,0.12936,1.88E-15,0.008232,-0.081536,0.052332,-0.06272,-0.022148,0.01176,0.0294,5.489587008,1.12E-14,0.349337355,-3.460103326,2.220787472,-2.661617943,-0.939883836,0.499053364,1.247633411,29.81952376,-4.22E-14,1.897606057,-18.79533619,12.06335279,-14.45795091,-5.105463916,2.710865796,6.77716449,4.929292929,-0.767676768,1.418732782,-3.812672176,2.836547291,-2.416896235,-1.008264463,0.205693297,1.079889807,0.00264104,1.32E-05,-4.30E-04,-6.52E-04,4.10E-04,-5.07E-04,-1.82E-04,2.39E-04,0.001694435,30.01636587,-2.91E-15,1.167303117,-10.15187659,5.936570138,-11.04050239,-3.533176399,3.001636587,25.01363822,55.81671408,2.13E-14,2.170649992,-18.87784801,11.03930567,-20.53028564,-6.570092386,5.581671408,46.5139284,0.00588,8.53E-17,2.29E-04,-0.001988683,0.001162933,-0.002162759,-6.92E-04,5.88E-04,0.0049,0.249526682,5.07E-16,0.009703815,-0.084392764,0.049350833,-0.091779929,-0.02937137,0.024952668,0.207938902,1.355432898,-1.92E-15,0.052711279,-0.458422834,0.268074506,-0.498550031,-0.159545747,0.13554329,1.129527415,0.22405877,-0.034894399,0.039409244,-0.092992004,0.063034384,-0.083341249,-0.031508264,0.010284665,0.179981635,0.004997143,-0.162653762,-0.246746941,0.155188217,-0.192158126,-0.068950065,0.090413447,0.641578649,-9.68E-17,0.038888889,-0.338211382,0.197777778,-0.367816092,-0.117708333,0.1,0.833333333,3.82E-16,0.038888889,-0.338211382,0.197777778,-0.367816092,-0.117708333,0.1,0.833333333,1.45E-14,0.038888889,-0.338211382,0.197777778,-0.367816092,-0.117708333,0.1,0.833333333,2.03E-15,0.038888889,-0.338211382,0.197777778,-0.367816092,-0.117708333,0.1,0.833333333,-1.41E-15,0.038888889,-0.338211382,0.197777778,-0.367816092,-0.117708333,0.1,0.833333333,-0.155737705,0.175887978,-0.415033986,0.28132969,-0.37196156,-0.140625,0.045901639,0.803278689,1.004785225,1.148648184,1.248982342,0.74645526,1.208132972,0.976010713,0.759956562,0.212882905,1.05,0.9625,1.314634146,0.727222222,1.327586207,1.02265625,0.77,0,1.05,0.9625,1.314634146,0.727222222,1.327586207,1.02265625,0.77,0,1.05,0.9625,1.314634146,0.727222222,1.327586207,1.02265625,0.77,0,1.05,0.9625,1.314634146,0.727222222,1.327586207,1.02265625,0.77,0,1.05,0.9625,1.314634146,0.727222222,1.327586207,1.02265625,0.77,0,1.226434426,0.749487705,1.425854658,0.578551913,1.395597795,1.094646516,0.85204918,0,41.00210446,20.35493517,30.80486297,41.00210446,4.100210446,20.35493518,-3.55E-15,0.128539035,0.012853904,-2.051522643,49.17230916,4.917230916,3.895330643,41.00210446,20.35493517,30.80486297,41.00210446,4.100210446,20.35493518,-3.55E-15,0.128539035,0.012853904,-2.051522643,49.17230916,4.917230916,3.895330643,41.00210446,20.35493517,30.80486297,41.00210446,4.100210446,20.35493518,-3.55E-15,0.128539035,0.012853904,-2.051522643,49.17230916,4.917230916,3.895330643,41.00210446,20.35493517,30.80486297,41.00210446,4.100210446,20.35493518,-3.55E-15,0.128539035,0.012853904,-2.051522643,49.17230916,4.917230916,3.895330643,41.00210446,20.35493517,30.80486297,41.00210446,4.100210446,20.35493518,-3.55E-15,0.128539035,0.012853904,-2.051522643,49.17230916,4.917230916,3.895330643,41.00210446,20.35493517,30.80486297,41.00210446,4.100210446,20.35493518,-3.55E-15,0.128539035,0.012853904,-2.051522643,49.17230916,4.917230916,3.895330643,44.51618881,21.919012,33.37745224,44.48418881,4.448418881,21.919012,-0.053333333,0.178108299,0.01781083,-1.725363493,45.03093263,4.503093263,3.807349645,0,11.85,12.1501118,-0.207934131,0.092255903,6.095796875,8.933131493,10,22,18,18,6,4,4,0,0,4,13.118484,3.777960215,3.371412409,2.670416513,2.64911457,2.333552793,1.903815594,0.926938202,0.76065722,1.962776577,1.72335231,1.249629723,1.127677787,1.102295258,0.702158617,0.305911373,0.231845178,3.788934908,3.39200807,2.697314064,2.675203415,2.405454588,1.960967758,1.040358538,0.882111232,1.931960796,1.666291727,1.134540686,1.056003609,1.028724763,0.592502036,0.145009386,0.063813204,3.839201747,3.488193344,2.824495443,2.79848862,2.704236987,2.20766894,1.509333156,1.389380056,1.849694817,1.508492472,0.851359665,0.824694856,0.76031856,0.255710328,0.404709933,0.518308207,3.797117787,3.407481326,2.71764637,2.694893082,2.457539916,2.002899591,1.122815948,0.971195398,1.913161916,1.630750608,1.058262671,1.010727403,0.982818829,0.521426262,0.03633571,0.050215565,3.865109307,3.538337815,2.890708226,2.863278479,2.838982085,2.324101819,1.714330405,1.608939802,1.826120186,1.462951383,0.791032153,0.765965708,0.631337262,0.146072262,0.603646471,0.73245906,3.798977832,3.409588832,2.743039857,2.729421452,2.527114381,2.055007618,1.212831295,1.058096656,1.906914214,1.607575396,0.976707453,0.975390243,0.920387284,0.454529464,0.067964407,0.156379683,0,0,0,6,2,2,0,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.018518519,0.612372436,0,0,0,0.384900179,0,0,0,0.642228525,1.041888478,1.093412989,0.303561201,0.414672312,0.361597767,7.397341225,4.7876937,4.133584955,2.529482726,2.089508593,1.454567768,0.595522031,0.319035594,0.739734123,0.47876937,0.344465413,0.210790227,0.149250614,0.103897698,0.074440254,0.053172599,6.464101615,3.488033872,2.632371439,1.254914293,0.882597297,0.504605765,0.180223163,0.082668548,0.646410162,0.348803387,0.219364287,0.104576191,0.063042664,0.036043269,0.022527895,0.013778091,13.25096682,21.32702112,20.35294118,20.56,14.79132695,165.140309,0.602316674,0.969410051,0.92513369,0.934545455,0.672333043,7.506377681,2.92709,44.705,42.8834899,62.95133481,85.7669798,8.57669798,42.8834899,0.20866802,0.020866802,-1.567010712,39.432933,3.9432933,3.67460133,92,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,2,0,6,0,0,0,0,0,0,0,0,2,0,0,0,6,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.566462585,0,0,0,0.689787415,0,2.566462585,0,0,0,0,0,0,0,0,4.208333333,0,0,0,12.50583333,0,0,0,0,2.619166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.280092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.394444444,0,0,0,0.344893707,0,0.394444444,0,0,0,0,0,0,0,0,2.104166667,0,0,0,2.030092593,0,0,0,0,1.280092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.439795918,0,0,0,0.344893707,0,0.439795918,0,0,0,0,0,0,0,0,2.104166667,0,0,0,2.166666667,0,0,0,0,1.339074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.33333333,1.933333333,0.439795918,2.166666667,0.125,1.280092593,4.950330833,0.386574074,0.166666667,1.428333333,0.386574074,0.166666667,1.428333333,5,0.5,0,0,0.48182,0.7,0.43333,0.43333,0.7,0.04848,0.04848,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.0132,0.60132,11.44878,5.43557,0.54356,2.34681,0.23468,4.78768,2.44087,0.24409,0.12632,0.01263,0.21232,0.02123,0.272727273,10,0,0,0,0,0,0,0.2,0.994030211,2.253553209,2.651502641,3.265583323,3.481714573,3.265583323,21.86866465,49.5781706,58.3330581,71.8428331,76.59772061,71.8428331,0.222905136,0.50534539,0.594583092,0.732286893,0.780752991,0.732286893,3.465401407,2.20587841,1.807928978,1.193848296,0.977717046,1.193848296,0.211476005,0.479434552,0.564096723,0.694739964,0.740721035,0.694739964,6.685280239,15.80382441,20.57921759,23.57385599,23.79167847,21.19810347,36.74662124,30.74484747,24.38661799,19.92002383,19.35220896,22.7590982,8.1,4,3.111111111,4,8,3,2.56,1.237,0.5,2.921736458,2.309401077,0,7.732315986,5.638173476,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.151,0.136,0.629,0.808,4.834,12,12,14,14,8,6,4,0,0,90,2.708050201,3.135494216,3.496507561,3.931825633,4.290459441,3.970291914,4.043051268,3.891820298,0,0,5.877735782,3.955555556,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,3,0.3,0,3,6,1,2,0.444444444,0.4375,0.311111111,0.118055556,0.08,0,0,0,0,0.2,0.037037037,0.048611111,0.044444444,0.023611111,0.04,0,0,0,0,0.393703704,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,0,147.7140115,4.321928095,3.80666249,4.532599493,5.323009979,6.070737728,6.865891075,7.621195163,8.416046009,9.174609562,9.968479096,81.7792306,3.044522438,0,4.234106505,0,5.609471795,0,7.067319849,0,8.564267599,8.822174761,132.0939004,6.004268199,19.53512296,1.953512296,0,0,0,126,9,3.523,44,1.240127785,2.190678057,3.109876164,3.85603283,4.784806281,5.324448282,6.400641798,7.21532685,0,0,100.2774153,131.5259429,129.940137,116.678286,171.9106027,92.5956318,34.82592851,7.331233861,0,0,341.502268,479.6654383,558.4807451,508.1893915,775.1869713,569.2046637,412.5751151,224.2793758,0,0,9.099603122,15.82122095,22.34230407,27.05394067,34.16852886,37.31079229,44.0218123,48.47591369,0,0,2.461817926,3.614788126,4.505144097,4.286494489,6.40594259,5.302584289,4.554016988,3.20802743,0,0,172.9055008,323.2455983,464.9621958,626.6015794,730.5106499,864.7379851,1102.398448,1334.2413,0,0,3.509504277,5.351635986,7.093633234,6.974462995,10.47200455,9.461123803,8.95428038,7.21532685,0,0,0.505696349,0.749413415,0.944845805,0.909071511,1.349698339,1.140847472,1.006806389,0.738849469,0,0,302.6738644,162.5059321,13.45055289,117.5236105,-63.09855629,-6.471876373,185.1502539,225.6044884,19.92242926,0.720313382,0.386737051,0.032010075,0.279686618,-0.150164054,-0.015401988,127.1827936,68.28458234,5.651888361,49.38312438,-26.51385402,-2.71946611,0.116117721,0.139970218,2.270785457,1.179702391,420.1974749,0,1,0,717.2657864,26.78181821,8.951449622,838.3024611,28.95345335,9.429027746,1221.919426,34.9559641,10.69089809,1.385805867,1.332810101,729.4640603,682.3747273,152.148139,1.069008026,4.794433013,4.484936405,4.486359755,4.644766144,8.382413327,0.804700833,5.270294467,5.009453661,1.833798802,13.9758112,3.038547145,8.664690377,2.641782597,4.965625756,5.728543651,4.104372803,2.726731986,2.716159007,2.405283518,0.983007616,1.802008968,0.250909599,2.73E-17,5.71E-55,2.31E-114,1.80E-195,2.70E-298,0,0,0,0,0,0,0,0,0,0.44230461,5.004485847,0.151440099,8.670409294,1.121972932,1.97341734,0.463789456,1.547356563,0.39497258,0.216089068,1.438149582,0.415601743,0.159024623,0.010651103,0.012701695,0.001767177,1.92E-19,4.02E-57,1.62E-116,1.27E-197,1.90E-300,0,0,0,0,0,0,0,0,0,1.427800269,5.00481789,0.490486417,9.148898412,1.364303309,3.248620132,0.836732242,1.949838646,0.88325418,0.781977291,1.553232995,0.803821767,0.541574827,0.081724381,0.13228295,0.018415345,2.00E-18,4.19E-56,1.69E-115,1.32E-196,1.98E-299,0,0,0,0,0,0,0,0,0,4.974728387,5.008908268,1.729263952,13.43718161,2.868545873,8.222994009,2.483106373,4.651908723,5.189619681,3.785749106,2.595508304,2.546533553,2.240897336,0.878408831,1.605564433,0.223555935,2.43E-17,5.09E-55,2.06E-114,1.60E-195,2.41E-298,0,0,0,0,0,0,0,0,0,2.104312143,5.005248325,0.724525351,9.656841844,1.574862043,4.150916405,1.114014811,2.313798646,1.396719525,1.238078387,1.676161706,1.094483899,0.826737386,0.168343263,0.287311641,0.04000059,4.34E-18,9.10E-56,3.68E-115,2.87E-196,4.31E-299,0,0,0,0,0,0,0,0,0,6.364642623,5.011746945,2.222595188,16.21290966,3.727788137,10.33649656,3.258062091,6.245777308,7.96510825,5.375592008,3.272019615,3.376891176,3.044442496,1.421465499,2.628028114,0.365928069,3.97E-17,8.33E-55,3.36E-114,2.62E-195,3.94E-298,0,0,0,0,0,0,0,0,0,2.82001707,4.698640313,0.87982843,10.31751903,1.704857689,4.938767257,1.390957213,2.721350789,2.026467547,1.674026211,1.92362551,1.429879546,1.137950672,0.275964742,0.48214183,0.067128014,7.29E-18,1.53E-55,6.17E-115,4.81E-196,7.23E-299,0,0,0,0,0,0,0,0,0,6.225815954,1.377821307,0.824161013,0.738723893,0.163485321,0.562373552,0.458312918,0.389270475,8.427798275,14.84468327,30.34218571,0.60808584,1.409956945,4.899861426,0.756352126,0.403861649,0.808547958,0.124809033,0.349702966,0.13307678,0.08862439,6.0600752,5.990348334,13.54714313,0.712821936,0.571404136,5.34893055,0.966526167,0.54702489,0.779445521,0.140842078,0.416080238,0.220830213,0.166851407,6.862481606,8.624593356,18.31512873,0.669168281,0.803761858,6.183885899,1.358141307,0.810960845,0.740320214,0.162593469,0.554875678,0.444968055,0.37657141,8.352988052,14.51487964,29.67879605,0.61048032,1.376415143,5.578457224,1.07410732,0.619818987,0.767074124,0.147696737,0.452240478,0.274541347,0.216245243,7.272383531,10.11524755,21.10150076,0.650611186,0.943027067,6.361016571,1.441282827,0.866696189,0.733766272,0.166257188,0.58689386,0.502700309,0.431612513,8.668995587,15.9302471,32.5451341,0.600649407,1.521206682,6.186203368,1.357771855,0.810411923,0.740473629,0.162522018,0.555294204,0.444606769,0.375913804,8.354387146,14.51318029,29.67458415,0.610710444,1.375814777 +UMLMON0168,L,1-phenyl-2-methylpropene,CC(=CC1=CC=CC=C1)C,13030,,UML,[1],C10H12,PubChem,,91.7,0,1.3255,1.75695025,35.532,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1106.796102,1110.860358,779.919339,248.409504,27.433728,0,0,3399.790734,4147.41404,5063.01831,5187.353288,4731.845919,2997.771428,839.2610996,0,0,146.842108,144.889944,254.381208,281.255064,275.662956,329.671296,181.398528,0,0,25.74688067,32.32302034,42.78148384,44.55993546,43.10284392,33.38218473,12.00454843,0,0,3476.407621,2904.481805,5704.188715,6443.859323,6147.15562,8303.73542,4992.776605,0,0,37.27777778,44.33333333,62.58333333,67,70,66,27,0,0,48.76541633,51.7541979,30.74433617,27.77150895,19.99793177,5.175198,1.016064,0,0,161.8947969,207.370702,140.6393975,129.6838322,121.3293825,62.45357141,31.08374443,0,0,6.992481333,7.2444972,7.066144667,7.0313766,7.068280923,6.868152,6.718464,0,0,1.226041937,1.616151017,1.188374551,1.113998387,1.105201126,0.695462182,0.444612905,0,0,165.54322,145.2240902,158.4496865,161.0964831,157.6193749,172.9944879,184.917652,0,0,1.775132275,2.216666667,1.738425926,1.675,1.794871795,1.375,1,0,0,0.037857571,-0.001636127,-0.008330421,-0.003883593,-0.02275288,0.00140958,0.016264655,0,0,564.9747087,-53.80711511,-40.35533633,13.45177878,-484.264036,-80.71067267,363.198027,0,0,1050.594596,-100.0566282,-75.04247115,25.01415705,-900.5096538,-150.0849423,675.3822403,0,0,0.110674667,-0.010540444,-0.007905333,0.002635111,-0.094864,-0.015810667,0.071148,0,0,4.696646663,-0.447299682,-0.335474762,0.111824921,-4.025697139,-0.670949523,3.019272855,0,0,25.51225921,-2.429738973,-1.822304229,0.607434743,-21.86765075,-3.644608459,16.40073807,0,0,3.415343915,-0.877047115,-0.424981104,0.70622323,-1.71579743,-1.362055933,1.965986395,0,0,0.001802741,-8.18E-05,-2.31E-04,-9.71E-05,-5.83E-04,2.94E-05,6.02E-04,0,0,26.90355756,-2.690355756,-1.120981565,0.336294469,-12.41702656,-1.681472347,13.45177878,0,0,50.0283141,-5.00283141,-2.084513087,0.625353926,-23.08999112,-3.126769631,25.01415705,0,0,0.005270222,-5.27E-04,-2.20E-04,6.59E-05,-0.00243241,-3.29E-04,0.002635111,0,0,0.223649841,-0.022364984,-0.009318743,0.002795623,-0.103223004,-0.013978115,0.111824921,0,0,1.214869486,-0.121486949,-0.050619562,0.015185869,-0.560708994,-0.075929343,0.607434743,0,0,0.162635425,-0.043852356,-0.011805031,0.017655581,-0.043994806,-0.028376165,0.072814311,0,0,-0.045378849,-0.128360386,-0.053856766,-0.323622213,0.016289775,0.334154764,0,0,-0.1,-0.041666667,0.0125,-0.461538462,-0.0625,0.5,0,0,-0.1,-0.041666667,0.0125,-0.461538462,-0.0625,0.5,0,0,-0.1,-0.041666667,0.0125,-0.461538462,-0.0625,0.5,0,0,-0.1,-0.041666667,0.0125,-0.461538462,-0.0625,0.5,0,0,-0.1,-0.041666667,0.0125,-0.461538462,-0.0625,0.5,0,0,-0.269635941,-0.072585851,0.108559256,-0.270511827,-0.174477149,0.44771495,0,0,1.37394002,1.266503852,1.217803159,1.397757423,0.700626151,0.002679253,0,0,1.5,1.130952381,1.017857143,1.538461538,0.803571429,0,0,0,1.5,1.130952381,1.017857143,1.538461538,0.803571429,0,0,0,1.5,1.130952381,1.017857143,1.538461538,0.803571429,0,0,0,1.5,1.130952381,1.017857143,1.538461538,0.803571429,0,0,0,1.5,1.130952381,1.017857143,1.538461538,0.803571429,0,0,0,1.707978311,1.021172218,0.76859024,1.426443425,1.097986057,0,0,0,25.80825086,12.90412543,18.14019341,25.80825086,3.68689298,12.90413257,1.78E-15,0,0,0,4000004.229,571429.1756,10.64126418,25.80825086,12.90412543,18.14019341,25.80825086,3.68689298,12.90413257,1.78E-15,0,0,0,4000004.229,571429.1756,10.64126418,25.80825086,12.90412543,18.14019341,25.80825086,3.68689298,12.90413257,1.78E-15,0,0,0,4000004.229,571429.1756,10.64126418,25.80825086,12.90412543,18.14019341,25.80825086,3.68689298,12.90413257,1.78E-15,0,0,0,4000004.229,571429.1756,10.64126418,25.80825086,12.90412543,18.14019341,25.80825086,3.68689298,12.90413257,1.78E-15,0,0,0,4000004.229,571429.1756,10.64126418,25.80825086,12.90412543,18.14019341,25.80825086,3.68689298,12.90413257,1.78E-15,0,0,0,4000004.229,571429.1756,10.64126418,29.54117308,14.71185638,21.26165,29.45727285,4.208181836,14.7118575,-0.117460317,2.22E-16,3.17E-17,-25.23055737,4000004.123,571429.1604,10.64126416,0,11.89,12.11009426,-0.158911248,0.062820356,5.524376364,8.314253756,6,20,19,19,5,1,1,0,0,1,15.304898,3.576870491,2.902564078,2.845468358,2.139109863,1.598026915,1.472511966,0.333124688,0.083923071,1.900191781,1.563026335,1.505026487,1.018476414,0.769718516,0.607698402,0.083923071,0.083923071,3.596407201,2.950308951,2.892294398,2.206084254,1.695309721,1.565969172,0.463338498,0.270913902,1.848460365,1.473453684,1.414493482,0.905522179,0.630337185,0.47196189,0.270913902,0.270913902,3.68617235,3.155598408,3.095489574,2.488819214,2.090117344,1.947317474,0.957943414,0.943918427,1.704859824,1.195492746,1.13527835,0.542566335,0.162386152,0.017363809,0.943918427,0.943918427,3.611004527,2.985267979,2.926692233,2.254882417,1.765276817,1.63333687,0.555128054,0.399277246,1.816261445,1.415133181,1.355669245,0.830985382,0.536857124,0.381019047,0.399277246,0.399277246,3.732211593,3.252217518,3.191994659,2.618263328,2.26277616,2.114748025,1.207644823,1.207644823,1.662823713,1.104407163,1.044565447,0.419247416,0.004703131,0.144497933,1.15550033,1.207644823,3.606550465,3.031713175,3.016242499,2.342880338,1.814483785,1.721308326,0.646722783,0.552631579,1.813941039,1.352696166,1.245068323,0.731347362,0.45402711,0.267031898,0.552631579,0.552631579,0,0,0,1,1,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0.204124145,0,0,0,0.144337567,0,0,0,0.612372436,0.612372436,0,0.433012702,0.433012702,0,5.698670613,3.346065215,2.090770275,1.732050808,0.866025404,0,0,0,0.814095802,0.557677536,0.348461713,0.288675135,0.288675135,0,0,0,5.491563832,2.987345747,1.654030206,1.316496581,0.65824829,0,0,0,0.784509119,0.497890958,0.275671701,0.219416097,0.219416097,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,36,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,3,0,1,0,0,0,0,0,0,0,0,3,0,2,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,1.067361111,0.870833333,0,0.300694444,0,0,0,0,0,0,0,0,6.486111111,0,2.430555556,0,2.194444444,0,0,0,0,1.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.243402778,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.099537037,0,1.215277778,0,2.194444444,0,0,0,0,1.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.194444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.290277778,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.193287037,0,1.215277778,0,2.194444444,0,0,0,0,1.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.80952381,0.300694444,2.194444444,0.041666667,1.215277778,4.368638889,0.284722222,0.194444444,1.361111111,0.284722222,0.194444444,1.361111111,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.07079,0.86726,7.12629,1.0555,0.15079,2.77028,0.39575,3.34606,0.57578,0.08225,0.06794,0.00971,0.06794,0.00971,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.911092835,2.855904922,2.855904922,2.64674695,2.114511128,19.28421252,40.13294954,59.97400337,59.97400337,55.58168595,44.40473368,0.209068641,0.435098981,0.650204584,0.650204584,0.602585536,0.481411274,3.474021589,2.481224587,1.5364125,1.5364125,1.745570473,2.277806295,0.209068641,0.435098981,0.650204584,0.650204584,0.602585536,0.481411274,6.73287657,15.92600679,16.87821207,16.87821207,14.3683164,7.981486528,27.64912502,17.29583807,17.85206274,17.85206274,16.59711491,11.46523287,7,4.166666667,2.666666667,7,2,5,2.23,1.0519,0.75,4.326748711,1.5,0,1.5,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,3.184,6,6,3,0,0,0,0,0,0,28,2.079441542,2.302585093,2.397895273,1.791759469,0,0,0,0,0,0,3.663561646,1.357142857,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,1.5,0.666666667,0.375,0,0,0,0,0,0,0,0.25,0.111111111,0.0625,0,0,0,0,0,0,0,0.423611111,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,0,126.9918924,3.807354922,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,66.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921535632,98.10955045,4.671883355,12.6691974,1.809885343,0,0,0,48,6,3.3,24,1.214061726,2.10305665,2.985468263,3.867959799,4.510644829,4.826160221,0,0,0,0,73.93822584,76.22639929,94.86166275,81.96166545,23.41242738,4.903687659,0,0,0,0,277.7082929,328.7932868,422.0674328,486.8268031,282.2259065,150.0151309,0,0,0,0,8.830802614,14.93524761,21.07414466,27.39714199,30.98227573,32.4243837,0,0,0,0,2.102890776,2.700687816,3.541157443,4.395153037,3.141141302,2.145773115,0,0,0,0,174.0985961,327.8548861,474.9920628,605.2843994,780.1190382,892.4422163,0,0,0,0,2.787238195,3.835593073,5.198753933,7.047109468,6.208353134,4.826160221,0,0,0,0,0.435935643,0.56904934,0.749405998,0.939277011,0.695494693,0.494198807,0,0,0,0,308.7795497,123.8259954,8.388571501,61.26197304,-24.56712175,-3.682093443,247.5175767,148.3931171,12.07066494,0.834445679,0.334627299,0.022669271,0.165554321,-0.066390176,-0.009950487,114.2612548,45.82075989,3.104119772,22.66947379,-9.090855142,-1.362527465,0.141853805,0.219139887,1.29603395,1.971013023,370.0415228,0,1,0,389.5617231,19.73731803,7.303405699,529.9342841,23.02030156,8.092337845,621.8527879,24.93697632,8.535504492,1.38089626,1.359990262,417.7559452,290.1577799,143.5421037,1.439754417,2.910337347,2.021412342,4.073993044,3.545643581,6.918654327,0.951311284,5.791877606,4.759494379,4.657105252,14.55318488,11.32913555,5.336628272,9.920089575,7.139549124,7.802161982,2.374801653,0.916674587,0.253654478,0.515967315,2.10E-15,1.65E-51,2.50E-109,7.31E-189,4.12E-290,0,0,0,0,0,0,0,0,0,0,0,0,0.486077041,4.743446514,0.231775535,3.466580776,2.654929828,0.268983965,2.914484293,0.432662847,0.099587961,0.155572878,0.072469843,0.001786519,0.003634,1.48E-17,1.16E-53,1.76E-111,5.15E-191,2.90E-292,0,0,0,0,0,0,0,0,0,0,0,0,1.569104052,4.744518991,0.853010847,4.315098454,3.770917457,0.935176421,4.048834901,1.283235477,0.646254685,0.530900094,0.236880509,0.018616829,0.037869082,1.54E-16,1.21E-52,1.83E-110,5.36E-190,3.02E-291,0,0,0,0,0,0,0,0,0,0,0,0,5.467060297,4.757732509,4.286403131,13.37406959,10.56653014,4.896126049,9.386622816,6.545549386,6.967795144,2.211466864,0.862194851,0.22600158,0.459717588,1.87E-15,1.47E-51,2.23E-109,6.51E-189,3.67E-290,0,0,0,0,0,0,0,0,0,0,0,0,2.312568142,4.745909399,1.363221487,5.31757196,4.731373066,1.501829328,4.915313494,2.021064225,1.326044,0.811610716,0.352091776,0.040438216,0.082256706,3.35E-16,2.63E-52,3.99E-110,1.16E-189,6.56E-291,0,0,0,0,0,0,0,0,0,0,0,0,6.994529898,4.766902777,6.142948553,19.48708617,14.41565811,7.115515482,12.0140294,9.547109899,11.30340257,3.010752881,1.12156559,0.369931185,0.752489837,3.06E-15,2.41E-51,3.65E-109,1.07E-188,6.00E-290,0,0,0,0,0,0,0,0,0,0,0,0,3.302319878,4.396961968,2.081534213,6.650806863,6.630205845,2.135413772,5.890557603,2.865867933,2.48328445,1.276603846,0.542189569,0.077466539,0.157577275,6.42E-16,5.04E-52,7.64E-110,2.23E-189,1.26E-290,0,0,0,0,0,0,0,0,0,0,0,0,4.010787817,2.073916011,0.376670122,0.620732966,0.320971364,0.54844391,0.53141661,0.476020671,6.46137395,10.60996321,20.2044932,0.431099449,1.55588119,2.877226321,1.382368667,0.081204139,0.662833326,0.318459488,0.282253351,0.236125318,0.022123804,4.340799126,4.323284256,8.987063711,0.494249988,0.540502472,3.327440144,1.657028833,0.198553637,0.641988352,0.319703184,0.377488018,0.339262287,0.132269332,5.183022615,6.503348706,12.78112941,0.462982527,0.849019637,3.982724027,2.056795248,0.369355217,0.621438918,0.320929244,0.540796188,0.522679808,0.457711623,6.408874492,10.42237581,19.85687817,0.432158376,1.52118762,3.52811898,1.779456171,0.250861138,0.634732287,0.32013611,0.424390757,0.391239483,0.211139867,5.558436289,7.609597435,14.74297334,0.452098431,1.026770106,4.098648049,2.127516549,0.399571138,0.618595159,0.321098914,0.572734083,0.559237416,0.535663045,6.625735736,11.20773723,21.31770993,0.427892738,1.667634543,3.988567036,2.057768058,0.369376965,0.621687351,0.320738842,0.542345504,0.523088234,0.457765526,6.415712059,10.44092275,19.88831318,0.432531027,1.523199264 +UMLMON0169,L,3-Ethyl-2-Pentene,CCC(=CC)CC,13159,,"Sandia, UML",[1],C7H14,PubChem,,80.6,0,0.0693,0.00480249,30.1528,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1577.550344,1642.863492,1049.043836,386.396809,87.883488,9.144576,0,3346.887898,3979.09551,4987.888639,5240.669144,4289.999718,2550.706399,1154.675865,279.7536999,0,152.568096,145.6753,259.249424,286.636152,311.269376,223.283044,143.482752,60.466176,0,23.35516286,28.53615172,37.79289304,39.9539312,33.68605599,23.58185018,13.35045943,4.001516144,0,3350.680532,2804.677982,5521.432194,6154.645747,6622.522955,5141.259865,3692.500067,1664.258868,0,92.05555556,56.72222222,94.16666667,110.0833333,133.5,68,27,9,0,69.4856748,68.35965826,46.39853953,43.23324979,26.8985599,12.87989363,4.184928,1.016064,0,167.3443949,209.4260795,146.702607,137.9123459,109.9999928,85.02354662,54.98456499,31.08374443,0,7.6284048,7.667121053,7.624983059,7.543056632,7.981266051,7.442768133,6.832512,6.718464,0,1.167758143,1.501902722,1.111555678,1.051419242,0.863745025,0.786061673,0.635736163,0.444612905,0,167.5340266,147.6146306,162.3950645,161.9643618,169.8082809,171.3753288,175.8333365,184.917652,0,4.602777778,2.985380117,2.769607843,2.896929825,3.423076923,2.266666667,1.285714286,1,0,0.269505657,-0.160634931,0.013089229,0.088035821,-0.057384909,-0.041804832,0.012896434,0.011050359,0,715.056216,-13.739645,119.254472,80.947092,-612.241636,-306.061991,166.9536,207.36,0,931.2646053,-148.2416011,102.7223183,-146.245463,-417.7504463,-248.2415601,128.2469715,263.877478,0,1.9334688,0.00145024,0.64351424,-0.01862352,-1.59332176,-0.5557088,0.34692336,0.20903184,0,4.097118945,-1.072153629,0.499338656,-1.675745333,-0.490932104,-0.383101928,0.183939983,0.890094883,0,23.01673804,-6.548761719,3.087389767,-10.93371879,-0.944701555,-1.033900707,0.461845853,4.403478133,0,37.60555556,-1.000277778,8.806666667,3.438333333,-28.4475,-10.375,4.9725,3.8025,0,0.013475283,-0.00845447,3.85E-04,0.002316732,-0.001471408,-0.001393494,6.14E-04,0.001227818,0,35.7528108,-0.723139211,3.507484471,2.130186632,-15.69850349,-10.20206637,7.950171429,23.04,0,46.56323026,-7.80218953,3.021244656,-3.848564816,-10.71154991,-8.27471867,6.106998644,29.31971978,0,0.09667344,7.63E-05,0.018926889,-4.90E-04,-0.040854404,-0.018523627,0.01652016,0.02322576,0,0.204855947,-0.056429138,0.014686431,-0.044098561,-0.012588003,-0.012770064,0.008759047,0.098899431,0,1.150836902,-0.344671669,0.090805581,-0.287729442,-0.024223117,-0.034463357,0.02199266,0.489275348,0,1.880277778,-0.052646199,0.259019608,0.090482456,-0.729423077,-0.345833333,0.236785714,0.4225,0,-0.627405758,0.028569147,0.171924564,-0.1091931,-0.103411144,0.045573508,0.091116285,0,-0.02022608,0.09810374,0.059580956,-0.439084456,-0.28535005,0.222364934,0.644424857,0,-0.167561174,0.064884774,-0.082652445,-0.230043101,-0.177709292,0.131154961,0.629675382,0,7.90E-04,0.195781689,-0.005069569,-0.422602155,-0.191610298,0.170886233,0.240249649,0,-0.275457653,0.071691504,-0.2152662,-0.06144807,-0.0623368,0.042757103,0.482775496,0,-0.299496539,0.078903953,-0.250017567,-0.021048262,-0.029946343,0.019110145,0.425147427,0,-0.02799916,0.137756033,0.048121856,-0.38793368,-0.183926725,0.125931241,0.224700842,0,1.614377019,1.031814043,1.044440898,1.498355621,0.79612244,0.092659922,0.032333808,0,1.04922138,0.890865298,0.904510365,1.542213185,1.186900274,0.459555111,0,0,1.505949528,0.973881522,1.11845331,1.067296894,1.012326263,0.656161652,0,0,0.713221749,0.771811478,0.876815287,2.093785333,1.151047451,0.033293529,0,0,1.749688453,0.998761092,1.276073199,0.881583528,0.8641304,0.666742434,0,0,1.787392882,0.997733486,1.311363166,0.869859622,0.827389598,0.644694439,0,0,0.591667898,0.547967377,0.910400355,2.302209166,1.141010489,0.072177785,0,0,30.30966979,15.40483489,22.79672018,30.68466979,3.835583724,15.40483562,0.5,0.142311184,0.017788898,-1.559791344,29.99903271,3.749879089,2.720932111,30.31938333,15.40895725,22.80220878,30.6932817,3.836660213,15.40895797,0.498531158,0.14196674,0.017745843,-1.561729978,29.99209681,3.749012101,2.720747126,39.13386299,19.16793702,28.27925623,38.53537127,4.816921409,19.16793703,-0.797988956,0.144158309,0.018019789,-1.54947457,41.2651445,5.158143063,2.976014548,30.3295786,15.4132841,22.80797089,30.7023208,3.8377901,15.41328482,0.4969896,0.14160523,0.017700654,-1.563769729,29.98485613,3.748107016,2.720553967,48.75409381,23.29475264,35.09551086,47.13065241,5.891331551,23.29475264,-2.164588529,0.340515097,0.042564387,-0.861836654,41.90034755,5.237543444,2.988235297,31.33045267,15.83836052,23.38025302,31.59015395,3.948769243,15.83836097,0.346268372,0.106219262,0.013277408,-1.793799853,29.46142199,3.682677748,2.706465343,34.19803463,17.34095476,26.80018909,34.6782478,4.334780975,17.34095489,1.095833333,0.301564296,0.037695537,-0.959017626,40.01505932,5.001882414,2.951404693,0,11.99635523,15.99825889,-0.3493946,0.264054594,4.193306313,7.72387889,7,19,18,18,6,1,1,0,0,1,15.992484,3.586614086,3.050932489,2.688763771,2.466585324,1.797501059,1.123331266,1.049369143,0.083923071,1.845537054,1.473606042,1.403631446,0.977876722,0.720705554,0.25806702,0.083923071,0.083923071,3.520143755,2.956189774,2.711441848,2.395720859,1.85513588,1.144602724,0.634090801,0.270913902,1.817854331,1.454123158,1.320258814,0.965531105,0.684064053,0.19132646,0.270913902,0.270913902,3.672453382,3.219906517,2.96785034,2.69850979,2.221055269,1.621067384,1.25583111,0.943918427,1.630469028,1.138124051,0.990264609,0.617674041,0.248010656,0.348786291,0.943918427,0.943918427,3.517648614,2.943329862,2.740639752,2.393110899,1.903582328,1.204335644,0.465143438,0.399277246,1.809572149,1.446007806,1.260698968,0.962252031,0.620695279,0.111699033,0.399277246,0.399277246,3.698999882,3.266825189,3.072077576,2.760569365,2.365328351,1.799003449,1.209058028,1.207644823,1.593964866,1.082863397,0.891068854,0.553237071,0.113774169,0.520042781,1.207644823,1.207644823,4.750095844,3.358525648,3.218009482,2.875758846,2.108873097,1.861717195,1.372793263,0.571428571,1.73401754,1.174928325,1.064287175,0.635454813,0.327523256,0.247580593,0.571428571,0.571428571,0,0,1,0,0,2,1,1,0,0,0,0,0,0,0,0,0,0,0,0.471404521,0,0.166666667,0,0.252236668,0,0.034020691,0,1.276142375,1.138071187,0.666666667,0.501036548,0.366153904,0.185395406,6.568914101,3.718744015,2.771064349,2.259305623,0.804737854,0.166666667,0,0,0.821114263,0.531249145,0.346383044,0.282413203,0.201184464,0.166666667,0,0,5.600953631,2.797877056,1.8324556,1.215925826,0.36785113,0.083333333,0,0,0.700119204,0.399696722,0.22905695,0.151990728,0.091962783,0.083333333,0,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.2055,31.471,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,52,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.98453704,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.554930556,0.5125,0,0,0,0,0,0,0,0,0,0,5.22412037,0,0.853842593,0,0,0,0.055555556,0,0,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,4.463935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.463935185,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305625,0.5125,0,0,0,0,0,0,0,0,0,0,1.411203704,0,0.853842593,0,0,0,0.055555556,0,0,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,4.463935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,1.959907407,0,0.853842593,0,0,0,0.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,4.463935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21,2.625,0.555902778,10.52060185,0.305625,-0.118055556,2.708629074,1.784722222,3.520601852,8.969074074,1.784722222,3.520601852,8.969074074,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.5,0.27273,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,6.01086,0.75136,9.0653,3.05444,0.38181,2.61947,0.32743,3.71873,1.09926,0.13741,0.19527,0.02441,0.19527,0.02441,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,2.070950594,3.20869497,3.50869497,3.50869497,2.97650216,25.90923688,41.41901189,64.17389939,70.17389939,70.17389939,59.5300432,0.299741647,0.479172848,0.742422109,0.811835573,0.811835573,0.688697751,3.026466251,2.2509775,1.113233125,0.813233125,0.813233125,1.345425935,0.299741647,0.479172848,0.742422109,0.811835573,0.811835573,0.688697751,12.01211119,21.71746765,23.96333241,24.26567992,24.26567992,17.87936621,29.38046565,17.93632218,16.47566766,15.81239862,15.81239862,14.61239862,8,3.9375,2.8125,8,3,4,1.9,1.0284,0.766309432,1.5,2.941682753,0,0,1.414213562,0,1,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.426,0.519,0.065,3.13,8,8,4,1,0,0,0,0,0,36,2.197224577,2.397895273,2.48490665,1.791759469,0.693147181,0,0,0,0,0,3.784189634,1.194444444,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,5,0.666666667,2,1.333333333,0.375,0.08,0,0,0,0,0,0,0.285714286,0.166666667,0.046875,0.02,0,0,0,0,0,0,0.519255952,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,26.3,127.2763612,4,3.433987204,4.143134726,4.875197323,5.609471795,6.34738921,7.085901464,7.825245291,8.564649133,9.304285985,72.18926213,2.708050201,0,3.850147602,0,5.209486153,0,6.642486801,0,8.103191752,8.371242136,116.0837296,5.804186481,14.49160575,1.811450719,5.077950154,5.077950154,0,68,8,1.356,30,1.230631579,2.10680655,2.889819559,3.564355007,4.389057371,5.349143907,6.79785035,0,0,0,94.58963281,108.879308,134.2715988,109.9193985,66.98196976,25.72757282,6.907051018,0,0,0,279.0386343,334.0250429,419.7085069,420.5430219,408.4064773,319.3254527,211.302643,0,0,0,9.500427541,16.18242679,21.88119533,28.39829995,33.03790729,36.6683616,45.67111286,0,0,0,1.953218228,2.479943116,3.152770837,3.243312831,3.65623049,3.602197189,3.022411991,0,0,0,180.0610686,338.2988374,465.0751377,599.7410964,745.7202625,930.9777688,1257.042526,0,0,0,3.768368421,6.155369749,8.568111114,12.1888228,10.529112,7.178776614,6.79785035,0,0,0,0.448387105,0.58516517,0.763555305,0.837353471,0.877974645,0.799509797,0.696099876,0,0,0,338.8200805,252.8657596,12.13944192,164.8720833,-123.0461445,-19.66429084,173.9479972,375.9119041,31.80373275,0.672672924,0.502024407,0.024100915,0.327327076,-0.244288384,-0.039040295,170.6610194,127.3665016,6.114541767,83.04477637,-61.97737876,-9.904749199,0.353778497,0.427092014,1.602123358,5.011195418,451.6892906,52.00287319,0.896756636,0.103243364,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,1014.28531,31.84784625,10.04739274,1.668155058,1.539546775,495.0290116,420.3362583,114.1531504,1.177697621,4.336533946,3.682213386,3.944755798,4.193003682,7.360793762,0.755494228,3.360032699,4.293005079,4.847085292,13.03653433,5.42563327,6.213619808,4.709670526,6.92449559,2.374204484,2.223323768,2.948224338,4.632195514,0.369242764,0.28803231,3.60E-18,8.68E-57,4.04E-117,3.62E-199,6.27E-303,0,0,0,0,0,0,0,0,0,0,0,0.298491782,4.443993348,0.459935393,5.033334073,0.865177266,1.931167879,1.053191497,0.452676845,0.104612005,0.19714718,1.142479908,0.09781656,0.002600846,0.002028635,2.54E-20,6.12E-59,2.84E-119,2.55E-201,4.41E-305,0,0,0,0,0,0,0,0,0,0,0,0.91615042,4.162909296,0.960463538,5.676574558,1.42686024,1.991644784,1.545504477,1.349794795,0.380200438,0.405365579,1.47887639,0.507466843,0.027100943,0.021139942,2.64E-19,6.37E-58,2.96E-118,2.66E-200,4.60E-304,0,0,0,0,0,0,0,0,0,0,0,3.176711882,4.443571398,5.562891658,13.12722209,5.14893918,6.26586238,4.803179225,6.740578564,2.172501974,2.546897185,2.826288627,4.172091108,0.32898882,0.256631602,3.21E-18,7.74E-57,3.60E-117,3.23E-199,5.58E-303,0,0,0,0,0,0,0,0,0,0,0,1.342655413,4.056105554,1.136391886,6.278302855,1.889307533,2.244065512,1.863317619,1.99973526,0.625287002,0.47736995,1.719361229,0.941864208,0.058866282,0.045918779,5.74E-19,1.38E-57,6.44E-118,5.78E-200,9.99E-304,0,0,0,0,0,0,0,0,0,0,0,4.057749124,4.388466877,6.806722368,16.29955632,7.120441514,8.109368509,6.038994012,9.209891697,3.205201203,3.168040706,3.412629123,6.542984811,0.538505091,0.420068054,5.25E-18,1.27E-56,5.89E-117,5.28E-199,9.14E-303,0,0,0,0,0,0,0,0,0,0,0,2.084251054,4.107910035,5.401829337,11.90086805,3.553270293,6.692271969,4.213229246,4.836292578,1.122234779,2.00545607,2.499279873,1.789440542,0.120570079,0.094051366,1.18E-18,2.84E-57,1.32E-117,1.18E-199,2.05E-303,0,0,0,0,0,0,0,0,0,0,0,4.977041903,1.156823915,0.501467609,0.750081659,0.174342997,0.496886923,0.42534389,0.442705071,6.635333427,8.833496125,18.35605995,0.625122488,1.364935885,3.585743667,0.840383992,0.170110926,0.780147419,0.182841682,0.259222114,0.238256437,0.047460256,4.596238585,3.766334251,8.875185367,0.670221128,0.544938807,4.208466049,0.909937418,0.298046752,0.776978626,0.16799516,0.355437207,0.264656551,0.157578491,5.416450219,5.354964259,11.91276685,0.665467939,0.777672248,4.864206345,1.148659577,0.486435341,0.748419891,0.176735857,0.474784285,0.420494959,0.418896424,6.499301263,8.512187688,17.7293575,0.622629837,1.314175668,4.513127767,0.968652356,0.358859871,0.772711171,0.165846955,0.408505259,0.298067827,0.22683464,5.840639994,6.338842749,13.74829316,0.659066756,0.933407726,5.053318218,1.190294538,0.526301703,0.746437529,0.175821208,0.512259998,0.450398332,0.487872485,6.769914459,9.3009611,19.23654719,0.619656293,1.450530815,4.881928224,1.163583272,0.489716548,0.747017272,0.178047845,0.478429683,0.431814877,0.422940946,6.535228045,8.641117039,17.95819464,0.620525908,1.333185507 +UMLMON0170,L,Methyl 2-methylbutanoate,CCC(C)C(=O)OC,13357,"""Methyl 2-methylbutyrate ""","Sandia, UML",[11],C6H12O2,PubChem,,99.1,0,2.4075,5.79605625,48.6502,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2115.628885,2089.387452,1445.789695,659.955074,268.554553,78.738912,9.144576,4670.34144,5841.481647,7996.552878,8627.150907,7353.404818,4796.070567,2180.670932,874.9221648,279.7536999,169.463656,175.052008,300.446356,343.926768,382.5223,355.86164,245.8801,83.016576,60.466176,34.11358067,43.47862034,61.85917094,68.87187532,63.83170571,46.76284309,23.70180291,9.348943289,4.001516144,3856.790689,3411.659229,6406.831556,7256.509721,8465.861487,8392.495636,6344.551342,2028.241198,1664.258868,48.58333333,59.27777778,86.77777778,101.6111111,102,82.66666667,44.5,18,9,60.70275442,67.17251842,50.37211631,43.52890525,26.77388324,12.94029557,7.459848694,6.561576,1.016064,194.59756,243.3950686,190.3941161,179.7323106,136.1741633,94.04059935,60.57419257,72.9101804,31.08374443,7.060985667,7.293833667,7.153484667,7.165141,7.083746296,6.977679216,6.830002778,6.918048,6.718464,1.421399194,1.811609181,1.472837403,1.434830736,1.182068624,0.916918492,0.658383414,0.779078607,0.444612905,160.6996121,142.1524679,152.5436085,151.1772859,156.7752127,164.558738,176.2375373,169.0200999,184.917652,2.024305556,2.469907407,2.066137566,2.116898148,1.888888889,1.620915033,1.236111111,1.5,1,0.044186467,4.99E-05,0.002029488,-0.019525218,-0.019804894,-0.008500781,0.020543343,-0.002701841,0.005816779,706.2183858,-1.07E-13,186.6434305,-211.8655158,-489.308453,-350.5869844,373.2868611,-50.44417042,189.1656391,1313.243245,1.28E-13,347.0714291,-393.9729735,-909.8899627,-651.9314681,694.1428581,-93.80308893,351.7615835,0.138343333,2.23E-15,0.036562167,-0.041503,-0.095852167,-0.068677583,0.073124333,-0.009881667,0.03705625,5.870808328,1.37E-14,1.551570772,-1.761242498,-4.067631485,-2.914436992,3.103141545,-0.419343452,1.572537945,31.89032402,-1.08E-13,8.428157061,-9.567097205,-22.09543878,-15.83126799,16.85631412,-2.277880287,8.542051076,4.572916667,-0.982638889,1.973090278,-1.305555556,-2.1015625,-3.23828125,2.859375,-0.619791667,1.12890625,0.001841103,2.08E-06,4.83E-05,-4.07E-04,-3.67E-04,-1.67E-04,5.71E-04,-2.25E-04,6.46E-04,29.42576608,-4.44E-15,4.443891203,-4.413864911,-9.061267649,-6.874254596,10.36907947,-4.203680868,21.01840434,54.71846854,5.33E-15,8.263605454,-8.207770282,-16.84981412,-12.78296996,19.28174606,-7.816924078,39.08462039,0.005764306,9.31E-17,8.71E-04,-8.65E-04,-0.00177504,-0.001346619,0.002031231,-8.23E-04,0.004117361,0.244617014,5.71E-16,0.036942161,-0.036692552,-0.075326509,-0.057145823,0.086198376,-0.034945288,0.174726438,1.328763501,-4.51E-15,0.200670406,-0.199314525,-0.409174792,-0.310417019,0.468230948,-0.189823357,0.949116786,0.190538194,-0.040943287,0.04697834,-0.027199074,-0.038917824,-0.063495711,0.079427083,-0.051649306,0.125434028,0.001129093,0.026245762,-0.220941155,-0.199205224,-0.090533776,0.309949242,-0.122292698,0.351044392,-1.51E-16,0.151020408,-0.15,-0.307936508,-0.233613445,0.352380952,-0.142857143,0.714285714,9.74E-17,0.151020408,-0.15,-0.307936508,-0.233613445,0.352380952,-0.142857143,0.714285714,1.62E-14,0.151020408,-0.15,-0.307936508,-0.233613445,0.352380952,-0.142857143,0.714285714,2.34E-15,0.151020408,-0.15,-0.307936508,-0.233613445,0.352380952,-0.142857143,0.714285714,-3.40E-15,0.151020408,-0.15,-0.307936508,-0.233613445,0.352380952,-0.142857143,0.714285714,-0.214882308,0.246556026,-0.142748671,-0.204252088,-0.333244004,0.416856492,-0.271070615,0.658314351,1.092528721,0.944599508,1.303133184,1.311679442,1.06830243,0.358169934,0.775066023,0.00519054,1.15,0.891836735,1.191071429,1.277777778,1.121008403,0.438095238,0.985714286,0,1.15,0.891836735,1.191071429,1.277777778,1.121008403,0.438095238,0.985714286,0,1.15,0.891836735,1.191071429,1.277777778,1.121008403,0.438095238,0.985714286,0,1.15,0.891836735,1.191071429,1.277777778,1.121008403,0.438095238,0.985714286,0,1.15,0.891836735,1.191071429,1.277777778,1.121008403,0.438095238,0.985714286,0,1.408757277,0.660302997,1.193368767,1.203070953,1.310822279,0.285244242,1.257403189,0,38.61068635,19.30534317,27.38964142,38.61068635,3.861068635,19.30534319,-7.11E-15,0.169678752,0.016967875,-1.773848323,185.1490211,18.51490211,5.22116102,38.61068635,19.30534317,27.38964142,38.61068635,3.861068635,19.30534319,-7.11E-15,0.169678752,0.016967875,-1.773848323,185.1490211,18.51490211,5.22116102,38.61068635,19.30534317,27.38964142,38.61068635,3.861068635,19.30534319,-7.11E-15,0.169678752,0.016967875,-1.773848323,185.1490211,18.51490211,5.22116102,38.61068635,19.30534317,27.38964142,38.61068635,3.861068635,19.30534319,-7.11E-15,0.169678752,0.016967875,-1.773848323,185.1490211,18.51490211,5.22116102,38.61068635,19.30534317,27.38964142,38.61068635,3.861068635,19.30534319,-7.11E-15,0.169678752,0.016967875,-1.773848323,185.1490211,18.51490211,5.22116102,38.61068635,19.30534317,27.38964142,38.61068635,3.861068635,19.30534319,-7.11E-15,0.169678752,0.016967875,-1.773848323,185.1490211,18.51490211,5.22116102,43.83736953,21.69356624,31.3187123,43.79203619,4.379203619,21.69356624,-0.113333333,0.293508879,0.029350888,-1.225847388,71.0223614,7.10223614,4.262994777,0,11.85,12.1501118,-0.208324538,0.091798717,5.644071363,8.915574733,10,24,21,18,4,3,0,0,0,6,15.304898,3.843110289,3.15613707,2.889803706,2.655871051,2.137357965,2.025766193,1.485213476,0.754789267,2.016846438,1.636932938,1.469087897,1.272940197,0.905672091,0.873542463,0.498127709,0.017329647,3.852994976,3.184831064,2.925204077,2.696330965,2.198960701,2.08646271,1.571891795,0.866804758,1.986858889,1.562522364,1.382002879,1.182541621,0.807069153,0.758834173,0.376342835,0.112938471,3.898972176,3.319771688,3.091080596,2.876872127,2.450911295,2.347982156,1.917191242,1.320455266,1.90871805,1.348121825,1.125619322,0.913502481,0.497456888,0.399120886,0.020961885,0.598902364,3.860400354,3.206486181,2.95192418,2.726254732,2.2433739,2.130904131,1.633923174,0.947841594,1.968743129,1.515322503,1.326286016,1.124395548,0.743370267,0.683221643,0.296276126,0.204195858,3.923128016,3.389557344,3.175839308,2.966522976,2.562454758,2.472110681,2.064355685,1.511023517,1.886894218,1.284384934,1.047783838,0.830659232,0.390078926,0.282569317,0.164599501,0.786938712,3.856932922,3.203206889,3.004285908,2.802537619,2.337318824,2.183218591,1.67404049,1.032681497,1.968868569,1.490036953,1.250370548,1.026699931,0.649826522,0.610375385,0.227171758,0.286322768,0,0,0,3,3,3,1,0,0,0,0,0,0.068041382,0.184195286,0,0,0,0.024056261,0.065122868,0.691044062,0,0.11785113,0,0.413066307,0,0.058925565,0,1.409242502,1.947505821,2.068381304,0.759097843,0.949717817,0.856668607,7.560477932,4.736382105,4.063836075,3.133525958,2.334582796,1.39430162,0.830066507,0.144337567,0.756047793,0.473638211,0.312602775,0.208901731,0.145911425,0.087143851,0.075460592,0.048112522,6.939157589,3.798694043,2.783492337,1.878997269,1.242490418,0.600846766,0.345352477,0.051031036,0.693915759,0.379869404,0.214114795,0.125266485,0.077655651,0.037552923,0.03139568,0.017010345,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.30504,43.1,42.42846762,57.795472,84.85693524,8.485693524,42.42846762,0.053496032,0.005349603,-2.928147804,87.75845902,8.775845902,4.474588257,84,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,3,0,0,0,0,0,0,0,0,3,0,1,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.85907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.130763889,0,0.645277778,0,0,1.130763889,0,0,0,0,0,0,0,0,6.495972222,0,1.144953704,0,0,6.62037037,0,0,0,0,4.238703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.356203704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368819444,0,0.285972222,0,0,0.368819444,0,0,0,0,0,0,0,0,2.131388889,0,1.144953704,0,0,2.172453704,0,0,0,0,1.356203704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.234953704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.386597222,0,0.359305556,0,0,0.386597222,0,0,0,0,0,0,0,0,2.19212963,0,1.144953704,0,0,2.234953704,0,0,0,0,1.463518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.5,1.85,0.386597222,2.234953704,0.121944444,1.144953704,6.185359167,0.355046296,0.234953704,2.232685185,0.355046296,0.234953704,2.232685185,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.3,0.3,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.10892,0.71089,12.02929,4.92036,0.49204,2.65706,0.26571,4.73636,2.0793,0.20793,0.17764,0.01776,0.26364,0.02636,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.321695404,3.29248125,3.490601563,3.704986856,3.90726823,23.51685016,55.72068971,79.01955001,83.77443751,88.91968454,93.77443751,0.213713581,0.506371732,0.718104292,0.761315182,0.808073535,0.852191971,3.605093744,2.263267096,1.29248125,1.094360938,0.879975645,0.677694271,0.206076118,0.48827557,0.692441461,0.734108128,0.779195481,0.82173726,6.772325919,18.0677644,22.48567837,23.60136356,24.73344101,24.93730524,37.92632204,26.17699528,19.8948625,18.26591511,16.64285407,16.00802031,8.1,3.408284024,1.991111111,2,6,2,2.56,1.28,0.655185349,4.326341831,3.834843528,0,2.749459274,7.308366373,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.1,0.505,0.68,4.871,13,15,16,16,11,3,1,0,0,95,2.63905733,3.198673118,3.669951444,4.092259056,4.504659004,4.226833745,3.168897455,2.151035195,0,0,5.804946698,3.483552632,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,6,1,2.5,1.333333333,0.6875,0.453333333,0.118055556,0,0,0,0,0,0.25,0.102564103,0.057291667,0.064761905,0.059027778,0,0,0,0,0,0.533645452,24.00245224,34.54275701,48.00490447,4.800490447,24.00245224,0.044527248,0.004452725,-3.111653957,79.31449926,7.931449926,4.373420953,0,150.3504702,4.321928095,3.850147602,4.634728988,5.459585514,6.263398263,7.090909822,7.899153483,8.726643416,9.536112711,10.36334614,83.82402594,3.044522438,0,4.290459441,0,5.752572639,0,7.311218384,0,8.912069098,9.141311786,134.1095504,5.587897935,19.39801301,1.939801301,0,0,0,116,12,3.722,46,1.235345989,2.146048944,3.024812692,3.79503956,4.580498804,5.389465487,6.622885574,7.003494044,0,0,92.61138514,119.6903279,141.6444958,111.899496,64.40388667,44.9505653,43.76375752,7.115998172,0,0,323.1774761,440.049377,570.154322,549.1842699,450.3079016,344.0516171,485.1927336,217.694819,0,0,9.041223086,15.41637707,21.72519902,26.96863582,32.02533085,36.86619385,45.82849614,47.05272261,0,0,2.360044781,3.347743201,4.495727074,4.692887416,4.334227991,3.667979187,5.178276008,3.113843831,0,0,173.6889854,322.8148262,453.6631364,588.6382447,748.8616313,945.5498736,1118.520145,1295.069675,0,0,3.13938262,4.626783148,6.562347623,7.415657403,7.583013265,6.802440772,9.962025577,7.003494044,0,0,0.485982744,0.695623792,0.939578708,0.994522712,0.937089032,0.809585082,1.137649147,0.71715779,0,0,315.6373847,153.0495828,10.46409889,97.52226818,-47.28762554,-4.719488356,218.1151165,200.3372083,15.18358724,0.763959846,0.370436904,0.025327011,0.236040154,-0.114453638,-0.011422917,130.4086323,63.23391249,4.323343463,40.29226647,-19.53733895,-1.949902171,0.128462849,0.126331365,1.886995939,1.140236957,413.1596529,0,1,0,731.2346257,27.04135029,9.00918661,867.4900677,29.45318434,9.537213474,1291.055861,35.93126579,10.88884154,1.579234721,1.493067257,673.2317749,511.4496662,207.7712121,1.316320685,3.240255317,2.461600243,4.410442774,4.389329297,7.686849735,0.751258385,4.149702385,5.585879541,4.095456209,12.29993709,5.539479642,4.924274165,9.316484898,7.454797309,6.743488758,7.070866384,2.19998747,3.523409314,2.350105866,1.77048424,7.09E-05,2.00E-29,1.30E-75,1.68E-143,4.20E-233,0,0,0,0,0,0,0,0,0,0,0,0.348365374,4.824851572,0.304025844,6.697070664,1.759690606,1.377821353,0.994157726,1.084748085,0.963185319,0.400573824,0.098723472,0.17922092,0.193038827,0.012469665,4.99E-07,1.41E-31,9.17E-78,1.18E-145,2.96E-235,0,0,0,0,0,0,0,0,0,0,0,1.124299299,4.87570538,1.006935847,7.553024057,2.124613717,1.895853485,2.546426824,2.203323178,1.822453839,1.350906145,0.375234274,0.52083183,0.625913296,0.129943526,5.20E-06,1.47E-30,9.55E-77,1.23E-144,3.09E-234,0,0,0,0,0,0,0,0,0,0,0,3.916987257,5.502325481,3.838229487,11.85515097,5.164237663,4.634331289,8.755172806,7.00055235,6.276199883,6.517041044,2.017434822,3.198042725,2.215423669,1.577469582,6.32E-05,1.78E-29,1.16E-75,1.50E-143,3.75E-233,0,0,0,0,0,0,0,0,0,0,0,1.656953614,4.941639642,1.510543422,8.226036607,2.495853635,2.312594703,3.655508385,3.025136769,2.507511864,2.125378211,0.610301573,0.856589712,0.925273843,0.282254703,1.13E-05,3.19E-30,2.07E-76,2.68E-144,6.70E-234,0,0,0,0,0,0,0,0,0,0,0,5.011341757,5.937212998,5.076370668,14.06234645,7.092158126,6.080496917,11.45361453,9.209641495,8.602432251,9.286608061,2.937113929,4.865070473,2.851757431,2.58208487,1.03E-04,2.92E-29,1.90E-75,2.45E-143,6.13E-233,0,0,0,0,0,0,0,0,0,0,0,2.343514045,4.543963605,1.948645883,9.036643234,3.104813842,2.837043701,5.0713472,4.013915636,3.547023076,3.206767496,0.848749,1.376494884,1.357405596,0.517307302,2.07E-05,5.85E-30,3.80E-76,4.91E-144,1.23E-233,0,0,0,0,0,0,0,0,0,0,0,5.313814889,2.267557274,0.458131197,0.660963078,0.282051909,0.519943005,0.461855773,0.369983152,8.03950336,15.52264271,29.08234276,0.491444618,1.35178193,3.663101029,1.380783909,0.175037538,0.701888377,0.264572604,0.247371498,0.171934644,0.05365823,5.218922476,5.94082016,12.04507392,0.552832566,0.472964372,4.249320213,1.695780865,0.275632631,0.683089875,0.272601424,0.3327033,0.25889183,0.133481424,6.220733708,8.844579756,17.05149902,0.524634813,0.725076554,5.265161443,2.241428695,0.449793265,0.661753108,0.281714515,0.510476787,0.451313052,0.35659922,7.956383403,15.17789763,28.44250903,0.492629662,1.318389058,4.537814733,1.850765319,0.325109855,0.675904725,0.275670361,0.379334121,0.30816083,0.185913853,6.713689907,10.47542046,19.91952277,0.513857088,0.873408804,5.469240225,2.351023412,0.484765406,0.658545587,0.28308431,0.550766175,0.496346975,0.414390381,8.305029043,16.64930509,31.18759888,0.48781838,1.461503531,5.267318608,2.244895539,0.449539277,0.661577711,0.281959943,0.510898293,0.452754451,0.356223705,7.961753424,15.20161536,28.47898195,0.492366567,1.319876448 +UMLMON0171,L,"1,3-dimethyl-4-ethylbenzene",CCC1=C(C=C(C=C1)C)C,13403,,"Sandia, UML",[1],C10H14,PubChem,,95.9,0,2.4075,5.79605625,48.6502,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2115.628885,2210.453461,1512.335839,669.09965,147.488544,12.192768,0,4670.34144,5841.481647,7996.552878,8852.27832,7855.32205,5075.824267,1955.543519,373.0049332,0,169.463656,175.052008,300.446356,343.950484,384.917308,416.327816,245.856384,80.621568,0,34.11358067,43.47862034,61.85917094,69.87829961,67.84529414,50.76435923,22.69537863,5.335354858,0,3856.790689,3411.659229,6406.831556,7261.976634,8275.090861,10056.7545,6339.08443,2219.011824,0,48.58333333,59.38888889,86.11111111,100.6666667,107.6666667,92,46,12,0,60.70275442,67.17251842,50.37211631,46.05111377,28.00621924,11.15166083,4.096904,1.016064,0,194.59756,243.3950686,190.3941161,184.422465,145.4689269,84.59707111,54.3206533,31.08374443,0,7.060985667,7.293833667,7.153484667,7.165635083,7.128098296,6.938796933,6.829344,6.718464,0,1.421399194,1.811609181,1.472837403,1.455797909,1.256394336,0.846072654,0.630427184,0.444612905,0,160.6996121,142.1524679,152.5436085,151.2911799,153.2424234,167.6125751,176.0856786,184.917652,0,2.024305556,2.474537037,2.05026455,2.097222222,1.99382716,1.533333333,1.277777778,1,0,0.044218389,-3.50E-04,2.04E-04,-0.007306453,-0.035782249,-0.002752419,0.013726223,0.010151986,0,706.2183858,-7.82E-14,186.6434305,-90.79950675,-791.9734755,-161.4213453,252.2208521,252.2208521,0,1313.243245,2.42E-13,347.0714291,-168.8455601,-1472.708496,-300.1698846,469.0154447,469.0154447,0,0.138343333,2.23E-15,0.036562167,-0.017787,-0.155142167,-0.031621333,0.049408333,0.049408333,0,5.870808328,1.35E-14,1.551570772,-0.754818214,-6.583692197,-1.341899046,2.09671726,2.09671726,0,31.89032402,-1.08E-13,8.428157061,-4.100184516,-35.7627205,-7.289216918,11.38940143,11.38940143,0,4.572916667,-0.871527778,1.306423611,0.458333333,-4.559895833,-1.098958333,0.973958333,1.505208333,0,0.001842433,-1.46E-05,4.86E-06,-1.52E-04,-6.63E-04,-4.59E-05,3.81E-04,8.46E-04,0,29.42576608,-3.26E-15,4.443891203,-1.891656391,-14.66617547,-2.690355756,7.00613478,21.01840434,0,54.71846854,1.01E-14,8.263605454,-3.517615835,-27.27237956,-5.00283141,13.0282068,39.08462039,0,0.005764306,9.31E-17,8.71E-04,-3.71E-04,-0.002873003,-5.27E-04,0.001372454,0.004117361,0,0.244617014,5.62E-16,0.036942161,-0.015725379,-0.121920226,-0.022364984,0.058242146,0.174726438,0,1.328763501,-4.51E-15,0.200670406,-0.085420511,-0.662272602,-0.121486949,0.316372262,0.949116786,0,0.190538194,-0.036313657,0.031105324,0.009548611,-0.084442515,-0.018315972,0.027054398,0.125434028,0,-0.007920239,0.002635454,-0.082617814,-0.359651768,-0.024898408,0.206945929,0.459174857,0,-1.11E-16,0.151020408,-0.064285714,-0.498412698,-0.091428571,0.238095238,0.714285714,0,1.84E-16,0.151020408,-0.064285714,-0.498412698,-0.091428571,0.238095238,0.714285714,0,1.62E-14,0.151020408,-0.064285714,-0.498412698,-0.091428571,0.238095238,0.714285714,0,2.30E-15,0.151020408,-0.064285714,-0.498412698,-0.091428571,0.238095238,0.714285714,0,-3.40E-15,0.151020408,-0.064285714,-0.498412698,-0.091428571,0.238095238,0.714285714,0,-0.190584662,0.16324981,0.050113895,-0.443178942,-0.096127563,0.14198937,0.658314351,0,1.102374338,0.958423635,1.133180018,1.400743548,0.934437635,0.61034231,0.10148746,0,1.15,0.891836735,1.108928571,1.496825397,0.952857143,0.547619048,0,0,1.15,0.891836735,1.108928571,1.496825397,0.952857143,0.547619048,0,0,1.15,0.891836735,1.108928571,1.496825397,0.952857143,0.547619048,0,0,1.15,0.891836735,1.108928571,1.496825397,0.952857143,0.547619048,0,0,1.15,0.891836735,1.108928571,1.496825397,0.952857143,0.547619048,0,0,1.385472032,0.740138121,0.908124525,1.513540876,1.019893698,0.698557327,0,0,37.57627844,18.78813922,26.10202704,37.57627844,3.757627844,18.78813925,1.07E-14,0.22455578,0.022455578,-1.493631141,72.08522069,7.208522069,4.27784904,37.57627844,18.78813922,26.10202704,37.57627844,3.757627844,18.78813925,1.07E-14,0.22455578,0.022455578,-1.493631141,72.08522069,7.208522069,4.27784904,37.57627844,18.78813922,26.10202704,37.57627844,3.757627844,18.78813925,1.07E-14,0.22455578,0.022455578,-1.493631141,72.08522069,7.208522069,4.27784904,37.57627844,18.78813922,26.10202704,37.57627844,3.757627844,18.78813925,1.07E-14,0.22455578,0.022455578,-1.493631141,72.08522069,7.208522069,4.27784904,37.57627844,18.78813922,26.10202704,37.57627844,3.757627844,18.78813925,1.07E-14,0.22455578,0.022455578,-1.493631141,72.08522069,7.208522069,4.27784904,37.57627844,18.78813922,26.10202704,37.57627844,3.757627844,18.78813925,1.07E-14,0.22455578,0.022455578,-1.493631141,72.08522069,7.208522069,4.27784904,43.04654935,21.29036599,30.16512613,42.97854935,4.297854935,21.29036599,-0.113333333,0.312372917,0.031237292,-1.163557557,135.7755739,13.57755739,4.911003331,0,11.89,12.11015511,-0.151818315,0.068387272,5.683369143,9.07776985,10,24,21,18,4,3,0,0,0,6,15.304898,3.846909094,3.122321072,2.901283259,2.685768631,2.235992105,1.865611891,1.520085449,0.758188477,2.018342845,1.628483208,1.412168643,1.374673045,0.956722904,0.730061973,0.478578581,0.18055894,3.856567764,3.153653141,2.930387218,2.73345402,2.288732,1.930033774,1.607005634,0.882486871,1.988558705,1.552065998,1.328639714,1.28185799,0.855501593,0.614890614,0.374240312,0.027830468,3.901677691,3.298653164,3.069237245,2.944671006,2.510686195,2.201124824,1.950192324,1.383849734,1.911274392,1.328676326,1.098854039,0.986669735,0.553343016,0.253165905,0.010313113,0.526479178,3.863813591,3.177177186,2.952442721,2.768740361,2.327027905,1.976817518,1.669142988,0.972127981,1.970595084,1.503347105,1.276975946,1.220212938,0.790795188,0.539291381,0.304303192,0.078493661,3.925483248,3.37232118,3.142427368,3.046746776,2.614061708,2.327095565,2.091983333,1.596539596,1.889800388,1.260978004,1.0324903,0.891167222,0.455857466,0.134181728,0.130213509,0.735057644,3.857125986,3.178317422,3.018164765,2.839225263,2.398182705,2.036457725,1.701424413,1.085330102,1.975684696,1.475730199,1.185583669,1.126769558,0.716555442,0.456139888,0.258538688,0.197008156,0,0,0,3,3,3,1,0,0,0,0,0,0.068041382,0.184195286,0,0,0,0.024056261,0.065122868,0.594819017,0,0.232307808,0,0.37139964,0,0.12319982,0,1.686559579,2.180576515,2.49969678,0.971646346,1.105708272,1.102459419,7.560477932,4.753218858,3.935632246,3.399896793,2.268323312,1.386046817,0.60309862,0.295712282,0.756047793,0.475321886,0.302740942,0.21249355,0.141770207,0.092403121,0.067010958,0.059142456,6.939157589,3.804677108,2.712587923,2.097713139,1.194875001,0.60128604,0.2277499,0.109107988,0.693915759,0.380467711,0.208660609,0.131107071,0.074679688,0.040085736,0.025305544,0.021821598,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.30504,43.1,43.00395044,58.45756684,86.00790087,8.600790087,43.00395044,0.035158925,0.003515892,-3.347876783,60.64279888,6.064279888,4.105000896,78,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,3,0,0,0,0,0,0,0,0,3,0,1,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.80759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.169375,0,0.645277778,0,0,1.169375,0,0,0,0,0,0,0,0,6.546064815,0,1.146342593,0,0,6.48412037,0,0,0,0,4.323472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.402175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.285972222,0,0,0.380972222,0,0,0,0,0,0,0,0,2.161203704,0,1.146342593,0,0,2.126157407,0,0,0,0,1.402175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.196759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.39875,0,0.359305556,0,0,0.39875,0,0,0,0,0,0,0,0,2.196203704,0,1.146342593,0,0,2.196759259,0,0,0,0,1.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.5,1.85,0.39875,2.196759259,0.116319444,1.146342593,6.183883565,0.353657407,0.196759259,2.06037037,0.353657407,0.196759259,2.06037037,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.3,0.3,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.24564,0.72456,12.12433,4.87869,0.48787,2.65798,0.2658,4.7532,2.09522,0.20952,0.1608,0.01608,0.2468,0.02468,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.321695404,3.209147917,3.490601563,3.704986856,3.90726823,23.51685016,55.72068971,77.01955001,83.77443751,88.91968454,93.77443751,0.213713581,0.506371732,0.699928934,0.761315182,0.808073535,0.852191971,3.605093744,2.263267096,1.375814584,1.094360938,0.879975645,0.677694271,0.206076118,0.48827557,0.674915635,0.734108128,0.779195481,0.82173726,6.772325919,18.0677644,21.48567837,23.60136356,24.73344101,24.93730524,37.92632204,26.17699528,21.18734375,18.26591511,16.64285407,16.00802031,8.1,3.408284024,1.75,2,6,2,2.56,1.28,0.766309432,3.947850755,4.441492163,0,3.14734519,6.233208625,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.1,0.505,0.68,4.871,13,16,16,15,9,5,1,0,0,95,2.63905733,3.198673118,3.70745584,4.092259056,4.453620288,4.123093976,3.595598464,2.151035195,0,0,5.813664005,3.514144737,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,5,0.666666667,2,1.555555556,0.8125,0.453333333,0.0625,0,0,0,0,0,0.2,0.11965812,0.0625,0.064761905,0.03125,0,0,0,0,0,0.478170024,23.2906377,32.53527811,46.5812754,4.65812754,23.2906377,0.089622164,0.008962216,-2.412152624,63.30068695,6.330068695,4.147896181,0,150.3504702,4.321928095,3.850147602,4.65396035,5.476463552,6.29710932,7.123672785,7.947678571,8.774776816,9.599608345,10.42670607,84.15012341,3.044522438,0,4.290459441,0,5.771441123,0,7.353081921,0,8.976009475,9.199582715,134.1095504,5.587897935,19.39843663,1.939843663,0,0,0,113,13,3.722,46,1.235345989,2.146135604,3.021156414,3.803120662,4.36460615,5.104093343,5.90603021,0,0,0,92.61138514,119.5397752,148.5341309,113.7079805,53.28665254,22.05869529,6.000904679,0,0,0,323.1774761,439.7051078,583.0372299,573.5953672,387.6550163,285.9142025,183.5815336,0,0,0,9.041223086,15.41650878,21.70310647,27.15436997,30.34801161,34.89891572,39.67945135,0,0,0,2.360044781,3.345917844,4.553035496,4.901884329,3.821188864,3.286981162,2.625897248,0,0,0,173.6889854,322.8582978,453.2070571,579.5496751,726.7281256,895.4675376,1092.129239,0,0,0,3.146905573,4.581306719,6.510139176,7.719595575,6.83990388,6.625378464,5.90603021,0,0,0,0.485982744,0.69527464,0.950073198,1.037942308,0.830038035,0.731987991,0.604777493,0,0,0,279.556324,135.4216736,10.04354901,95.25796527,-46.1445225,-4.813389441,184.2983587,181.5661961,14.85693845,0.745852898,0.361303391,0.026796068,0.254147102,-0.123113029,-0.012842065,104.7817049,50.75797834,3.764465683,35.70404655,-17.2956264,-1.804127142,0.128065664,0.12645479,3.221206057,1.189072955,374.8142892,0,1,0,731.2346257,27.04135029,9.00918661,867.4900677,29.45318434,9.537213474,1315.04327,36.26352534,10.95586522,1.387093022,1.357998571,604.7932063,399.2513316,251.7382182,1.514818257,2.402468766,1.585978221,4.292303775,4.001863032,7.138102735,0.783694914,4.149702385,4.819683419,5.047006734,11.05145909,5.025513188,8.294133102,9.58297962,7.884516866,6.529622484,6.232127622,3.27706189,2.512684418,0.14850832,2.05E-06,5.47E-33,2.81E-81,2.78E-151,5.32E-243,0,0,0,0,0,0,0,0,0,0,0,0,0.348365374,4.81945519,0.295275059,6.264101433,1.87008095,1.421921308,0.8241989,1.039439243,0.829609567,0.3567048,0.091389002,0.017890989,0.001045956,1.44E-08,3.85E-35,1.98E-83,1.96E-153,3.75E-245,0,0,0,0,0,0,0,0,0,0,0,0,1.124299299,4.81947092,1.037073486,6.93150975,2.219822624,2.285679377,2.503181731,2.110183914,1.700561732,1.25703606,0.416015258,0.184915109,0.01089967,1.51E-07,4.01E-34,2.06E-82,2.04E-152,3.91E-244,0,0,0,0,0,0,0,0,0,0,0,0,3.916987257,4.819658531,4.675403825,10.64878582,4.72820885,7.682738445,9.008258372,7.349967742,6.077180112,5.766673544,2.966837519,2.238890124,0.132318239,1.83E-06,4.87E-33,2.50E-81,2.48E-151,4.74E-243,0,0,0,0,0,0,0,0,0,0,0,0,1.656953614,4.81949088,1.614031759,7.481648723,2.547307725,3.038664509,3.688076876,2.94215571,2.385304862,1.963854973,0.73554952,0.401183066,0.023675541,3.27E-07,8.71E-34,4.48E-82,4.44E-152,8.49E-244,0,0,0,0,0,0,0,0,0,0,0,0,5.011341757,4.819787963,6.514519854,12.66681344,6.244530308,10.7743583,11.75464457,9.994851399,8.322319957,8.075582675,4.556483776,3.663881474,0.216585427,2.99E-06,7.97E-33,4.10E-81,4.06E-151,7.77E-243,0,0,0,0,0,0,0,0,0,0,0,0,2.343512132,4.36129512,2.266220534,7.962402735,3.138028584,3.932013649,5.060873701,4.118933231,3.141905156,3.000881439,1.216915736,0.734903477,0.043391766,5.99E-07,1.60E-33,8.21E-82,8.14E-152,1.56E-243,0,0,0,0,0,0,0,0,0,0,0,0,4.096043654,2.543388461,0.465339841,0.576520074,0.357983124,0.542546547,0.459696818,0.363943464,7.104771956,13.50742245,25.46002584,0.401754797,1.366186829,2.836066198,1.763837124,0.17355243,0.594132709,0.369509474,0.267875199,0.230248481,0.050050399,4.773455752,5.800683246,11.44231053,0.445463275,0.548174079,3.277970065,2.046237998,0.277282359,0.585196049,0.365302418,0.35204035,0.305490742,0.128452541,5.601490422,8.183815875,15.64517963,0.425747702,0.785983632,4.058349056,2.5209702,0.45675093,0.576792009,0.358292361,0.532777647,0.45212272,0.350561536,7.036070185,13.23608722,24.94516567,0.402626555,1.335461902,3.49807259,2.182583274,0.328281399,0.582144968,0.363222843,0.398860621,0.344958816,0.180409408,6.008937264,9.499688383,18.01499987,0.418051716,0.924228844,4.216609661,2.614855162,0.492774098,0.575706187,0.357013908,0.574434285,0.484242049,0.408372101,7.324238922,14.39219246,27.14967164,0.399080143,1.467048435,4.059654857,2.526793035,0.456475823,0.576416134,0.358770468,0.533182892,0.454472586,0.350343899,7.042923715,13.26446184,24.98987237,0.402779902,1.337999378 +UMLMON0172,L,"1,2-dimethyl-3-ethylbenzene",CCC1=CC=CC(=C1C)C,13621,Sandia values from independent API report ,Sandia,,C10H14,PubChem,,91.9,0,2.4075,5.79605625,48.6502,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2115.628885,1968.321443,1500.30956,838.422651,223.179264,21.337344,0,4670.34144,5841.481647,7996.552878,8402.023493,7076.615,5243.361512,2737.21445,652.758633,0,169.463656,175.052008,300.446356,343.903052,380.151008,297.814188,308.717568,141.087744,0,34.11358067,43.47862034,61.85917094,67.86545104,60.82454156,47.78133966,30.7104832,9.336871002,0,3856.790689,3411.659229,6406.831556,7251.042808,8662.099025,6542.933055,7812.572672,3883.270693,0,48.58333333,59.16666667,87.5,102.3333333,94.33333333,78.5,61,21,0,60.70275442,67.17251842,50.37211631,41.00669673,27.78351037,19.96244407,4.9595392,1.016064,0,194.59756,243.3950686,190.3941161,175.0421561,131.0484259,124.8419408,60.82698779,31.08374443,0,7.060985667,7.293833667,7.153484667,7.164646917,7.039833481,7.090814,6.8603904,6.718464,0,1.421399194,1.811609181,1.472837403,1.413863563,1.126380399,1.137650944,0.682455182,0.444612905,0,160.6996121,142.1524679,152.5436085,151.0633918,160.4092412,155.7841204,173.612726,184.917652,0,2.024305556,2.465277778,2.083333333,2.131944444,1.74691358,1.869047619,1.355555556,1,0,0.044177339,4.58E-04,0.003376148,-0.033194634,0.00943025,-0.026188679,0.008045283,0.015984739,0,706.2183858,-1.07E-13,186.6434305,-332.9315248,-65.57742154,-721.351637,138.7214686,441.3864911,0,1313.243245,1.85E-13,347.0714291,-619.100387,-121.9440156,-1341.384172,257.9584946,820.7770282,0,0.138343333,2.23E-15,0.036562167,-0.065219,-0.012846167,-0.141307833,0.027174583,0.086464583,0,5.870808328,1.35E-14,1.551570772,-2.767666783,-0.545146488,-5.996611364,1.153194493,3.669255205,0,31.89032402,-1.08E-13,8.428157061,-15.03400989,-2.961244373,-32.5736881,6.264170789,19.93145251,0,4.572916667,-1.09375,2.6953125,-3.291666667,0.388020833,-3.596354167,-0.022135417,2.634114583,0,0.001840722,1.91E-05,8.04E-05,-6.92E-04,1.75E-04,-6.24E-04,1.79E-04,7.61E-04,0,29.42576608,-4.44E-15,4.443891203,-6.936073432,-1.214396695,-17.17503898,3.082699303,21.01840434,0,54.71846854,7.70E-15,8.263605454,-12.89792473,-2.258222511,-31.93771837,5.73241099,39.08462039,0,0.005764306,9.31E-17,8.71E-04,-0.001358729,-2.38E-04,-0.003364472,6.04E-04,0.004117361,0,0.244617014,5.62E-16,0.036942161,-0.057659725,-0.010095305,-0.142776461,0.025626544,0.174726438,0,1.328763501,-4.51E-15,0.200670406,-0.313208539,-0.054837859,-0.775564002,0.139203795,0.949116786,0,0.190538194,-0.045572917,0.064174107,-0.068576389,0.007185571,-0.08562748,-4.92E-04,0.125434028,0,0.010372383,0.043670066,-0.375697529,0.094872677,-0.33874742,0.097127118,0.413521343,0,-1.51E-16,0.151020408,-0.235714286,-0.041269841,-0.583673469,0.104761905,0.714285714,0,1.41E-16,0.151020408,-0.235714286,-0.041269841,-0.583673469,0.104761905,0.714285714,0,1.62E-14,0.151020408,-0.235714286,-0.041269841,-0.583673469,0.104761905,0.714285714,0,2.30E-15,0.151020408,-0.235714286,-0.041269841,-0.583673469,0.104761905,0.714285714,0,-3.40E-15,0.151020408,-0.235714286,-0.041269841,-0.583673469,0.104761905,0.714285714,0,-0.239179954,0.336804426,-0.359908884,0.037711972,-0.449397982,-0.002581625,0.658314351,0,1.082672436,0.935907449,1.47885774,1.065173967,1.216068989,0.663273956,0.06099797,0,1.15,0.891836735,1.273214286,0.985714286,1.548979592,0.700952381,0,0,1.15,0.891836735,1.273214286,0.985714286,1.548979592,0.700952381,0,0,1.15,0.891836735,1.273214286,0.985714286,1.548979592,0.700952381,0,0,1.15,0.891836735,1.273214286,0.985714286,1.548979592,0.700952381,0,0,1.15,0.891836735,1.273214286,0.985714286,1.548979592,0.700952381,0,0,1.432042521,0.573814947,1.501898254,0.811102674,1.461980692,0.894153379,0,0,38.53025099,19.2651255,26.8881896,38.53025099,3.853025099,19.26512552,-1.78E-14,0.216181165,0.021618117,-1.531638495,125.1290739,12.51290739,4.829345796,38.53025099,19.2651255,26.8881896,38.53025099,3.853025099,19.26512552,-1.78E-14,0.216181165,0.021618117,-1.531638495,125.1290739,12.51290739,4.829345796,38.53025099,19.2651255,26.8881896,38.53025099,3.853025099,19.26512552,-1.78E-14,0.216181165,0.021618117,-1.531638495,125.1290739,12.51290739,4.829345796,38.53025099,19.2651255,26.8881896,38.53025099,3.853025099,19.26512552,-1.78E-14,0.216181165,0.021618117,-1.531638495,125.1290739,12.51290739,4.829345796,38.53025099,19.2651255,26.8881896,38.53025099,3.853025099,19.26512552,-1.78E-14,0.216181165,0.021618117,-1.531638495,125.1290739,12.51290739,4.829345796,38.53025099,19.2651255,26.8881896,38.53025099,3.853025099,19.26512552,-1.78E-14,0.216181165,0.021618117,-1.531638495,125.1290739,12.51290739,4.829345796,42.67594717,21.28130692,30.24889862,42.58528051,4.258528051,21.28130692,-0.113333333,0.332127974,0.033212797,-1.10223492,74.59299727,7.459299727,4.312046632,0,11.89,12.11015511,-0.154936059,0.065451967,5.604774866,8.758384842,10,24,21,18,4,3,0,0,0,6,15.304898,3.840718655,3.138562425,2.978981869,2.548678893,2.133049839,2.024738679,1.606083482,0.441365589,2.015819743,1.637997224,1.493916978,1.228362559,0.914674848,0.783323018,0.696858794,0.083923071,3.850737835,3.169462254,3.0085188,2.593942196,2.194050957,2.082600027,1.696155252,0.545672476,1.985714418,1.56243022,1.412300855,1.132231268,0.810867055,0.682662645,0.568593834,0.270913902,3.897231429,3.31237007,3.149926772,2.797001194,2.444624277,2.324156623,2.064841634,0.963720007,1.907066126,1.341962329,1.180117151,0.837979593,0.491405199,0.369849397,0.132554171,0.943918427,3.858238178,3.192653601,3.030937363,2.627548685,2.238049652,2.124567978,1.761188079,0.621114151,1.967509294,1.514295407,1.360731895,1.069711602,0.743896014,0.617333107,0.482073153,0.399277246,3.921595778,3.384992436,3.224500232,2.896957888,2.557189734,2.434292052,2.226558792,1.207644823,1.885033972,1.275241337,1.11246322,0.745099247,0.383805062,0.264988018,0.023976977,1.133948601,3.856851715,3.188647246,3.074486071,2.697515362,2.324415891,2.211911445,1.808222707,0.671528041,1.963725304,1.491148219,1.289379225,0.978395834,0.660080924,0.524402188,0.399287259,0.540540541,0,0,0,3,3,3,1,0,0,0,0,0,0.068041382,0.184195286,0,0,0,0.024056261,0.065122868,0.781474414,0,0,0,0.451184464,0,0,0,1.106493072,1.939002773,2.123985745,0.569035594,0.893507645,0.881573481,7.560477932,4.719545353,4.191723906,2.853492644,2.446966379,1.498266827,0.736781144,0.232307808,0.756047793,0.471954535,0.3224403,0.203820903,0.143939199,0.093641677,0.066980104,0.058076952,6.939157589,3.792710979,2.849514921,1.689722705,1.273107889,0.691905074,0.289763533,0.092946256,0.693915759,0.379271098,0.219193455,0.120694479,0.074888699,0.043244067,0.026342139,0.023236564,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.30504,43.1,42.39970848,56.88146748,84.79941695,8.479941695,42.39970848,0.028487176,0.002848718,-3.558301252,41.38118518,4.138118518,3.722826313,82,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,3,0,0,0,0,0,0,0,0,3,0,1,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.87990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.115138889,0,0.645277778,0,0,1.115138889,0,0,0,0,0,0,0,0,6.478703704,0,1.141388889,0,0,6.693611111,0,0,0,0,4.186296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.372083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368819444,0,0.285972222,0,0,0.368819444,0,0,0,0,0,0,0,0,2.145,0,1.141388889,0,0,2.2075,0,0,0,0,1.372083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.243055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.3775,0,0.359305556,0,0,0.3775,0,0,0,0,0,0,0,0,2.188703704,0,1.141388889,0,0,2.243055556,0,0,0,0,1.44212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.5,1.85,0.3775,2.243055556,0.128472222,1.141388889,6.187598426,0.358611111,0.243055556,2.34462963,0.358611111,0.243055556,2.34462963,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.3,0.3,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.0737,0.70737,12.00622,4.93252,0.49325,2.65615,0.26561,4.71953,2.06338,0.20634,0.19447,0.01945,0.28047,0.02805,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.321695404,3.094360938,3.094360938,3.022055209,3.136842188,23.51685016,55.72068971,74.26466251,74.26466251,72.52932501,75.28421252,0.213713581,0.506371732,0.674893401,0.674893401,0.659123212,0.684158745,3.605093744,2.263267096,1.490601563,1.490601563,1.562907292,1.448120313,0.206076118,0.48827557,0.650774795,0.650774795,0.635568183,0.659709023,6.772325919,18.0677644,20.10823462,20.10823462,20.95137768,21.41280685,37.92632204,26.17699528,23.20614063,23.20614063,22.20626615,21.26453698,8.1,3.408284024,2.285714286,2,6,2,2.56,1.28,0.646330407,4.369015052,3.75793905,0,2.672696154,7.592428719,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.1,0.505,0.68,4.871,13,14,17,16,11,4,0,0,0,95,2.63905733,3.198673118,3.630985476,4.141148628,4.47946523,4.274928499,3.270044111,0,0,0,5.797576354,3.457894737,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,5,0.666666667,3,0.666666667,0.9375,0.533333333,0.0625,0,0,0,0,0,0.3,0.051282051,0.085227273,0.066666667,0.020833333,0,0,0,0,0,0.524009324,23.93687696,33.60373194,47.87375392,4.787375392,23.93687696,0.095067747,0.009506775,-2.353165513,55.90993035,5.590993035,4.023742009,0,150.3504702,4.321928095,3.850147602,4.615120517,5.451038454,6.232448017,7.072421901,7.857480787,8.697679732,9.483796737,10.32380843,83.58394218,3.044522438,0,4.290459441,0,5.733341277,0,7.273092596,0,8.859505485,9.092794808,134.1095504,5.587897935,19.39835886,1.939835886,0,0,0,116,11,3.722,46,1.235345989,2.14613564,3.023126316,3.779920527,4.876526301,5.728721045,6.155417697,0,0,0,92.61138514,119.5401995,134.3217597,121.7157255,103.4833925,28.42004432,6.254298327,0,0,0,323.1774761,439.7061021,555.8282805,545.62004,633.1483088,348.5229018,191.3334306,0,0,0,9.041223086,15.41651039,21.70827874,26.73434175,34.66126722,39.30155898,41.3549522,0,0,0,2.360044781,3.345923256,4.428079475,4.57229361,5.717227159,3.910091603,2.736778143,0,0,0,173.6889854,322.8582189,453.3588213,597.2397873,753.3303681,994.5552906,1138.245388,0,0,0,3.134646353,4.672086852,6.579956763,6.913580702,9.323347777,7.766341476,6.155417697,0,0,0,0.485982744,0.695275682,0.926961632,0.967067063,1.220991452,0.866997606,0.630314772,0,0,0,305.9258055,148.4809892,9.898484912,94.31450573,-45.77551436,-4.478760963,211.6112998,194.2565035,14.37724588,0.764355306,0.370979597,0.024731354,0.235644694,-0.114370075,-0.01119018,122.4438396,59.42807732,3.961772682,37.74846713,-18.32120612,-1.792580682,0.128342421,0.126228683,2.379247276,1.210765169,400.2403112,0,1,0,731.2346257,27.04135029,9.00918661,867.4900677,29.45318434,9.537213474,1278.362498,35.75419553,10.85303842,1.289121589,1.128137663,696.9601114,448.1010743,293.3166241,1.555363625,2.376135732,1.527704322,4.595966024,4.42147441,7.506148996,0.697657455,4.149702385,4.819679965,3.89331814,10.78344827,4.169526954,6.375796091,8.004612866,4.974914214,8.875657838,8.194650102,5.332366792,5.354714464,1.178379301,0.996384899,2.56E-11,1.27E-43,1.21E-97,2.23E-173,7.93E-271,0,0,0,0,0,0,0,0,0,0,0,0.348365374,4.819455166,0.286995614,6.287949388,0.977118733,1.291438459,0.680281608,0.94370908,2.7376119,0.443647863,0.157492392,0.059556956,0.008712217,0.00701762,1.80E-13,8.93E-46,8.53E-100,1.57E-175,5.59E-273,0,0,0,0,0,0,0,0,0,0,0,1.124299299,4.819470666,0.952003814,6.977416751,1.305948088,1.844392683,2.046140839,1.703335586,3.829438596,1.588830397,0.654647421,0.449125317,0.087546925,0.073129014,1.88E-12,9.30E-45,8.89E-99,1.64E-174,5.82E-272,0,0,0,0,0,0,0,0,0,0,0,3.916987257,4.819655453,3.647382073,10.42752167,3.859890801,5.893003862,7.510518377,4.705758609,8.442906529,7.565556523,4.817756946,4.785994566,1.050198976,0.887761007,2.28E-11,1.13E-43,1.08E-97,1.99E-173,7.07E-271,0,0,0,0,0,0,0,0,0,0,0,1.656953614,4.819490329,1.429627832,7.518459848,1.627527872,2.367946827,3.022120436,2.243569191,4.626771184,2.504705448,1.161951129,0.921808959,0.189147826,0.158845991,4.08E-12,2.02E-44,1.93E-98,3.56E-174,1.27E-271,0,0,0,0,0,0,0,0,0,0,0,5.011341757,4.819782925,4.832475517,12.19293052,5.445634887,8.358119538,9.885916029,5.996873584,10.54264281,10.6994176,7.462331259,7.738101132,1.71720904,1.453133734,3.73E-11,1.85E-43,1.77E-97,3.26E-173,1.16E-270,0,0,0,0,0,0,0,0,0,0,0,2.343510226,4.358314823,1.790880133,8.524775905,2.256917466,3.278105926,3.891869209,2.733705433,5.440955736,3.704622516,1.933654686,1.647578101,0.345872506,0.291127801,7.48E-12,3.70E-44,3.54E-98,6.52E-174,2.32E-271,0,0,0,0,0,0,0,0,0,0,0,4.684819699,3.18971374,0.450096814,0.5627661,0.383165816,0.562868157,0.463736043,0.353651064,8.324630253,18.48753617,33.53806833,0.418897873,1.380255264,3.185799007,2.021365549,0.168971125,0.592581586,0.375988567,0.261781367,0.18691238,0.049825164,5.376135681,7.319524812,13.78377783,0.452855229,0.498518912,3.718060163,2.436489092,0.26882992,0.578832428,0.379315782,0.355693694,0.271183402,0.126146084,6.423379175,10.71354002,19.57225294,0.437222314,0.753023179,4.640627769,3.155299826,0.441813201,0.563337435,0.383029753,0.552368417,0.453825561,0.340753542,8.237740796,18.08691572,32.79393812,0.419550782,1.34694752,3.980039392,2.640688807,0.317962799,0.573600899,0.380574493,0.407172679,0.318337757,0.176479629,6.938690998,12.61519074,22.89568521,0.431263087,0.901990066,4.825995574,3.29964353,0.476558455,0.561018919,0.383581464,0.597071492,0.496106877,0.396455961,8.602197558,19.79640709,35.98735249,0.416900574,1.48963433,4.641436223,3.158941445,0.441421612,0.563158124,0.383282987,0.552363753,0.45477516,0.340128505,8.24179928,18.10528054,32.81921464,0.419661667,1.347267419 +UMLMON0173,L,"1,3-dimethyl-5-ethylbenzene",CCC1=CC(=CC(=C1)C)C,13627,Sandia values from independent api report ,Sandia,,C10H14,PubChem,,100.2,0,-0.7283,0.53042089,26.0355,19.363516,0,0,19,7,12,0,6,0,1,0,0,0,0,0,0,0,1133.745495,1250.933639,1748.286641,970.478884,379.464793,90.93168,9.144576,0,0,3130.497121,4099.882909,5806.458828,5014.63543,3017.199652,1247.927098,279.7536999,0,0,139.21638,143.181932,278.64554,347.049616,249.87178,163.638144,60.466176,0,0,22.71195886,29.98571172,43.97209679,42.77165811,30.39111696,14.68429815,4.001516144,0,0,3165.229247,2778.12901,5853.260723,7704.073178,6026.600299,4247.253023,1664.258868,0,0,40.30555556,41.58333333,77.61111111,88.33333333,50,30,9,0,0,59.67081553,65.83861258,47.2509903,21.09736704,10.54068869,3.78882,1.016064,0,0,164.7630063,215.783311,156.9313197,109.0138137,83.81110144,51.99696242,31.08374443,0,0,7.327177895,7.535891158,7.530960541,7.54455687,6.940882778,6.818256,6.718464,0,0,1.195366256,1.578195354,1.188435048,0.929818655,0.844197693,0.611845756,0.444612905,0,0,166.591013,146.2173163,158.1962357,167.4798517,167.4055639,176.9688759,184.917652,0,0,2.121345029,2.188596491,2.097597598,1.920289855,1.388888889,1.25,1,0,0,0.165298351,-0.050337219,0.015175343,-0.082217834,0.01665283,0.012194843,0.005882862,0,0,605.7336044,26.87660126,53.0162135,-538.4146738,-162.7608036,154.8088722,163.6069882,0,0,916.6964704,-57.43271798,-110.1828243,-359.2832208,-360.451527,183.8632426,245.1388123,0,0,1.062550737,0.044922105,-0.004122593,-0.93114431,0.095101972,0.165635701,0.098331756,0,0,4.063287563,-0.589622532,-1.204566866,-0.034686677,-1.715487269,0.568411578,0.944307985,0,0,22.47243353,-3.774319208,-7.814252053,2.196808705,-9.44115416,2.703813462,4.892886488,0,0,6.970760234,-1.464912281,2.564250539,-6.686518929,0.572945522,0.58079409,0.948060942,0,0,0.008699913,-0.002649327,4.10E-04,-0.001787344,4.63E-04,5.08E-04,6.54E-04,0,0,31.88071602,1.414557961,1.432870635,-11.70466682,-4.521133433,6.450369675,18.17855424,0,0,48.24718265,-3.022774631,-2.977914172,-7.8105048,-10.01254242,7.660968442,27.23764581,0,0,0.055923723,0.002364321,-1.11E-04,-0.020242268,0.002641721,0.006901488,0.010925751,0,0,0.21385724,-0.031032765,-0.032555861,-7.54E-04,-0.047652424,0.023683816,0.104923109,0,0,1.18275966,-0.198648379,-0.211196001,0.047756711,-0.262254282,0.112658894,0.543654054,0,0,0.366882118,-0.077100646,0.069304069,-0.145359107,0.015915153,0.024199754,0.105340105,0,0,-0.304523422,0.047143505,-0.205443914,0.053170485,0.058405003,0.075133091,0,0,0.044370332,0.044944744,-0.367139396,-0.141814049,0.202328256,0.570205331,0,0,-0.062651837,-0.061722032,-0.1618852,-0.20752595,0.15878582,0.564543758,0,0,0.04227761,-0.001992382,-0.361962089,0.04723794,0.123408943,0.195368801,0,0,-0.145109723,-0.152231747,-0.003525989,-0.222823525,0.110745915,0.490622199,0,0,-0.167953293,-0.17856206,0.040377359,-0.221730831,0.095250876,0.459648797,0,0,-0.210151007,0.1889001,-0.396201123,0.043379474,0.06596057,0.287122483,0,0,1.254007249,1.346859936,2.004738307,0.0940265,0.072380356,0,0,0,1.160958813,1.081127481,1.429757543,0.899400391,0.449700195,0,0,0,1.43156131,1.156115058,1.042991253,1.105135007,0.552567504,0,0,0,0.861961564,1.369063731,2.155353895,0.100439439,0.05021972,0,0,0,1.583569344,1.267067827,0.881092163,1.114592362,0.557296181,0,0,0,1.617158618,1.305828384,0.85677381,1.094723767,0.547361884,0,0,0,1.19295302,1.052659623,1.98032171,0.292890101,0.322776846,0,0,0,21.94395169,11.09697585,15.88826369,22.12252312,3.160360446,11.09702462,0.25,4.44E-16,6.34E-17,-24.74535435,2000015.784,285716.5405,10.15606594,21.95016249,11.09971404,15.89343258,22.12820933,3.161172762,11.09976266,0.249265579,1.11E-16,1.59E-17,-25.7157604,2000015.786,285716.5409,10.15606594,27.64706537,13.62403545,20.71272983,27.36206932,3.908867046,13.62403899,-0.398994478,4.44E-16,6.34E-17,-24.74535435,2000018.483,285716.9262,10.15606689,21.95668145,11.10258812,15.89885827,22.13417774,3.162025391,11.1026366,0.2484948,0,0,0,2000015.788,285716.5412,10.15606594,34.29965946,16.45684434,26.13184278,33.83581907,4.833688438,16.45684457,-1.082294264,0,0,0,2000021.984,285717.4263,10.15606811,22.59739766,11.38526593,16.43374771,22.72106494,3.24586642,11.38530152,0.173134186,5.55E-16,7.93E-17,-24.58915386,2000016.027,285716.5752,10.15606603,22.44451474,11.40413568,15.66763799,22.70434089,3.24347727,11.40417397,0.363756614,7.77E-16,1.11E-16,-24.35362329,2000013.904,285716.2721,10.15606528,0,11.89,15.99491614,-0.374758005,0.128277811,5.414824243,6.983785878,7,19,19,19,7,0,0,0,0,0,15.034484,3.637341493,2.933810622,2.540474142,1.983448554,1.840573327,0.98819579,0.520957431,0.083923071,1.784392849,1.670970152,1.296410032,0.931385695,0.49606759,0.430007647,0.083923071,0.083923071,3.594256087,2.974228832,2.579792638,1.918428202,1.830446829,1.111527094,0.425665687,0.270913902,1.720804688,1.655507939,1.191241112,0.854895526,0.392216966,0.279396622,0.270913902,0.270913902,3.747455414,3.153618635,2.827980236,2.24427433,2.244248759,1.597243875,1.070926942,0.943918427,1.534222857,1.415564124,0.856807739,0.444741192,0.132086456,0.227674607,0.943918427,0.943918427,3.593563261,3.00414231,2.618027587,1.975003119,1.814387295,1.199329816,0.426533569,0.399277246,1.680334487,1.648045789,1.122087157,0.804819001,0.321575664,0.178221864,0.399277246,0.399277246,3.781195371,3.240986499,2.939203255,2.39175294,2.316416166,1.802727072,1.208225193,1.207644823,1.476327506,1.372997755,0.744668785,0.328061113,0.288339426,0.408464249,1.207644823,1.207644823,3.798926805,3.120135224,2.764244687,2.499639391,2.063760885,1.323494493,1.050598591,0.620689655,1.655997818,1.441394662,0.946737482,0.56803912,0.069492934,0.042586336,0.620689655,0.620689655,0,0,0,0,0,2,4,0,0,0,0,0.11785113,0.23570226,0.11785113,0,0,0.068041382,0.136082763,0.068041382,0.577350269,0,0,0,0.333333333,0,0,0,0.741581624,1.040440115,0.589255651,0.42815235,0.60069838,0.340206909,5.276020882,3.2876937,3.023395961,1.95700308,1.491624578,0.638071187,0,0,0.753717269,0.469670529,0.335932885,0.217444787,0.149162458,0.127614237,0,0,4.977162391,2.94260164,2.334667468,1.444334813,1.002073095,0.438832194,0,0,0.711023199,0.420371663,0.259407496,0.160481646,0.10020731,0.087766439,0,0,9.965765927,18.6576839,17.70196078,17.96,11.27156647,146.3240515,0.524513996,0.981983363,0.931682147,0.945263158,0.59324034,7.701265868,1.5738,29.243,22.47266809,30.16393587,44.94533619,6.420762312,22.47266809,3.33E-16,4.76E-17,-24.9467318,2000014.736,285716.3909,10.15606557,42,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.144444444,0,0,0,0,0,0,0,0,0,0,0,4.256944444,0,2.502314815,0,0,0,1.046296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,2.128472222,0,1.251157407,0,0,0,0.523148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.128472222,0,1.251157407,0,0,0,0.523148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.16666667,1.880952381,0.45,5.361111111,0.055555556,0.523148148,3.489791667,0.810185185,1.861111111,4.236111111,0.810185185,1.861111111,4.236111111,3.33333,0.47619,0,0.02381,0.48772,0.80952,0.43333,0.48772,0.80952,0.05439,0,-0.05439,0,0.58823,0.12606,0,0.3,0.3,0,4,0.57143,4,0.57143,0,0,-4,-0.57143,0,0,5.93931,0.84847,6.88311,0.94379,0.13483,2.82891,0.40413,3.28768,0.45877,0.06554,0.12632,0.01805,0.21232,0.03033,0.263157895,7.01,1,1,1,1,0,0,1,1.167436723,1.667951197,2.589518303,2.589518303,2.589518303,2.589518303,22.18129774,31.69107275,49.20084775,49.20084775,49.20084775,49.20084775,0.27482501,0.392650579,0.60959569,0.60959569,0.60959569,0.60959569,3.08049079,2.579976316,1.658409211,1.658409211,1.658409211,1.658409211,0.27482501,0.392650579,0.60959569,0.60959569,0.60959569,0.60959569,10.29981851,16.30599219,17.23477059,17.23477059,17.23477059,17.23477059,25.71846446,19.12111384,19.82418378,19.82418378,19.82418378,19.82418378,5.142857143,1.851851852,1.185185185,0,0,0,2.01,0.9041,0.25,1.632993162,2.309401077,0,1,2.828427125,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.438,0.434,0.384,0.231,3.027,9,9,10,5,0,0,0,0,0,47,2.079441542,2.302585093,2.302585093,2.397895273,1.791759469,0,0,0,0,0,3.871201011,1,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,2,0.285714286,0,2,4,1,2,0.666666667,0.569444444,0,0,0,0,0,0,0,0.285714286,0.074074074,0.142361111,0,0,0,0,0,0,0,0.502149471,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,9.23,108.7661345,3.807354922,3.496507561,4.234106505,5.043425117,5.802118375,6.610696045,7.378383713,8.182838711,8.955835144,9.75643661,73.46034778,2.708050201,0,3.931825633,2.397895273,5.303304908,4.59511985,6.736966958,6.502790046,8.206583614,8.621913502,100.088815,5.267832369,13.45353991,1.921934272,2.895226194,2.895226194,0,41,4,1.446,32,1.300399066,2.225407996,3.044846723,3.824372358,4.696114892,5.803955961,0,0,0,0,103.6726187,122.0813155,72.71600884,46.388959,19.77713826,5.89719071,0,0,0,0,311.0625163,380.9654357,357.1324375,343.7274965,259.1508679,180.4086838,0,0,0,0,9.975395726,16.98947744,23.16057198,26.62067337,32.09073261,38.99366918,0,0,0,0,2.177509116,2.789659956,2.976034154,3.387949482,2.992983066,2.580513719,0,0,0,0,188.3629317,348.3251714,506.04941,634.3973699,825.3773988,1073.253909,0,0,0,0,3.029991016,5.018672379,6.068600982,5.485947432,6.049063454,5.803955961,0,0,0,0,0.489322588,0.658187753,0.69809504,0.735675832,0.667047887,0.59432509,0,0,0,0,280.783345,140.7105532,9.021543641,71.60334339,-35.88299034,-11.99006577,209.1800016,176.5935435,21.01160941,0.79680463,0.399307232,0.025601261,0.20319537,-0.10182845,-0.034025308,98.94431309,49.58452585,3.179071888,25.23206505,-12.64468814,-4.225139571,0.119104607,0.747787608,2.002476775,20.78503466,324.5913165,27.7953719,0.921122526,0.078877474,453.7860053,21.30225353,7.684525087,570.0304383,23.87531022,8.291491926,722.9486687,26.88770479,8.975028178,1.965110831,1.965110831,345.9714592,276.936409,117.8768084,1.249281236,2.935025676,2.349371456,3.753201729,3.936375694,6.584169745,0.672647698,3.346839453,3.683794748,12.5383984,3.582823339,11.83447115,11.18824513,6.503618357,6.148209454,4.430612216,4.490982608,0.997637084,1.32979071,3.09E-08,3.75E-37,8.76E-88,3.95E-160,3.43E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,0.280907108,2.895591883,1.755968481,2.421550191,3.446168864,3.202525369,1.247883997,0.32674352,1.074191,0.176602372,0.082582117,0.009365825,2.18E-10,2.64E-39,6.17E-90,2.78E-162,2.42E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0.906729253,2.626348219,3.349888669,2.123665764,3.645544514,4.223643842,1.819718661,1.179458993,1.392865087,0.702073858,0.267338065,0.097599114,2.27E-09,2.75E-38,6.43E-89,2.90E-161,2.52E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,3.159145278,3.756421697,12.02299032,3.702021838,12.22404576,10.60541959,6.293014341,5.67310999,4.095499105,4.101206477,0.940901244,1.184819582,2.76E-08,3.34E-37,7.80E-88,3.52E-160,3.06E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336336539,2.583304456,4.556816301,2.085703944,4.086292055,5.074616518,2.28789935,1.864459063,1.720429381,1.168255487,0.394768875,0.211998318,4.93E-09,5.97E-38,1.40E-88,6.29E-161,5.47E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,4.04178653,4.243875004,15.99319094,4.328985174,15.57608744,14.07183101,8.626596291,8.042079178,5.818576499,6.076817569,1.208518269,1.939374775,4.51E-08,5.47E-37,1.28E-87,5.76E-160,5.00E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,2.220617636,3.528014649,7.721841495,3.369088579,10.58541137,7.477568019,4.411650489,3.248519496,3.142151779,2.456650084,0.762964672,0.512309382,1.19E-08,1.44E-37,3.37E-88,1.52E-160,1.32E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,3.773636564,1.251892046,0.663820119,0.663280938,0.220041363,0.525752167,0.475289924,0.404556633,5.68934873,8.060232602,16.88559078,0.494921408,1.405598724,2.523039122,0.97977637,0.255259234,0.671364809,0.260712317,0.237316998,0.323270403,0.059758493,3.758074726,3.366140113,7.755219268,0.507047214,0.620345894,3.143240538,1.013147357,0.417725435,0.687180293,0.221495902,0.365944291,0.320133613,0.165446136,4.574113331,4.920794787,10.82518227,0.530770439,0.85152404,3.677621382,1.256654869,0.650659342,0.658489489,0.225007943,0.499475922,0.484328407,0.391883227,5.584935594,7.832033757,16.42399203,0.487734233,1.375687556,3.407838992,1.057276575,0.490129323,0.687723628,0.213365151,0.429538548,0.340505715,0.224237868,4.95524489,5.791512407,12.51270714,0.531585442,0.994282132,3.834304242,1.28783351,0.694761327,0.659166369,0.221395196,0.542656213,0.5029467,0.442168689,5.816899078,8.496608709,17.74420135,0.488749553,1.487771603,3.734987163,1.249847139,0.653435134,0.662435026,0.22167212,0.51505807,0.476289334,0.393346196,5.638269436,7.92542889,16.61404005,0.49365254,1.3846936 +UMLMON0174,L,"2,5-dimethyltetrahydrofuran",CC1CCC(O1)C,13855, (cis & trans) reported,UML,[1],C6H12O,PubChem,,80.2,0,-0.0275,7.56E-04,33.2966,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1323.6122,1609.182801,1380.259615,767.897931,326.041801,74.760336,6.096384,0,3823.307636,4994.447843,6928.73748,6882.571331,4875.37762,2661.102781,1008.855504,186.5024666,0,154.382624,159.970976,299.553156,386.845756,342.04926,261.312868,129.646656,40.310784,0,28.53578067,37.90082034,56.49561099,60.26273018,46.21111016,27.93568575,11.79230222,2.667677429,0,3603.201977,3158.070517,6448.554114,8841.549765,8059.922349,6555.411125,3354.459867,1109.505912,0,36.02777778,44.33333333,71.66666667,84.66666667,72.33333333,49.5,22.5,6,0,53.10626655,60.16419091,38.31387621,25.09562936,15.67138635,8.580047395,3.934754526,1.016064,0,173.7867107,227.0203565,164.96994,125.1376606,99.49750244,70.02902055,53.0976581,31.08374443,0,7.017392,7.271408,7.132218,7.0335592,6.980597143,6.876654421,6.823508211,6.718464,0,1.297080939,1.722764561,1.345133595,1.095686003,0.943083881,0.735149625,0.620647485,0.444612905,0,163.781908,143.5486599,153.5370027,160.7554503,164.4882112,172.5108191,176.5505193,184.917652,0,1.637626263,2.015151515,1.706349206,1.539393939,1.476190476,1.302631579,1.184210526,1,0,0.038547532,0.002747074,-0.014198961,-0.011916774,-0.009869024,0.004615896,0.005018999,0.004329024,0,616.3360458,5.47E-13,-131.0714643,-165.0900123,-261.142383,69.0376415,84.04582443,96.05237078,0,1146.103196,1.28E-13,-243.7329848,-306.9919274,-485.6054125,128.3784424,156.2867994,178.613485,0,0.120736,1.75E-15,-0.025676,-0.03234,-0.051156,0.013524,0.016464,0.018816,0,5.123614541,1.10E-14,-1.089599846,-1.372396752,-2.170882135,0.573911369,0.69867471,0.798485383,0,27.8315555,-2.75E-14,-5.918723654,-7.454880939,-11.79226621,3.117495665,3.795212114,4.337385273,0,2.481060606,0.08459596,-0.534550046,-0.434974747,-0.924988522,0.012511478,0.225952709,0.330922865,0,0.001752161,1.25E-04,-3.38E-04,-2.17E-04,-2.01E-04,1.21E-04,2.64E-04,7.22E-04,0,28.01527481,2.49E-14,-3.12074915,-3.001636587,-5.329436389,1.816780039,4.423464444,16.00872846,0,52.0955998,5.81E-15,-5.803166305,-5.581671408,-9.91031454,3.378380062,8.225621022,29.76891417,0,0.005488,7.96E-17,-6.11E-04,-5.88E-04,-0.001044,3.56E-04,8.67E-04,0.003136,0,0.23289157,5.02E-16,-0.025942853,-0.024952668,-0.044303717,0.015102931,0.036772353,0.133080897,0,1.265070705,-1.25E-15,-0.140921992,-0.13554329,-0.240658494,0.08203936,0.199748006,0.722897546,0,0.112775482,0.003845271,-0.012727382,-0.007908632,-0.018877317,3.29E-04,0.011892248,0.055153811,0,0.07126459,-0.192944938,-0.12365797,-0.114948745,0.069326382,0.150761218,0.411779602,0,8.88E-16,-0.111394558,-0.107142857,-0.190233236,0.064849624,0.157894737,0.571428571,0,1.12E-16,-0.111394558,-0.107142857,-0.190233236,0.064849624,0.157894737,0.571428571,0,1.45E-14,-0.111394558,-0.107142857,-0.190233236,0.064849624,0.157894737,0.571428571,0,2.16E-15,-0.111394558,-0.107142857,-0.190233236,0.064849624,0.157894737,0.571428571,0,-9.89E-16,-0.111394558,-0.107142857,-0.190233236,0.064849624,0.157894737,0.571428571,0,0.034096692,-0.112855931,-0.070127226,-0.167388482,0.002919513,0.10545065,0.489058524,0,1.173642243,1.34994465,1.143465434,1.022038365,0.708186201,0.452630989,1.09E-04,0,1.3125,1.227678571,1.0875,1.094387755,0.705592105,0.542763158,0,0,1.3125,1.227678571,1.0875,1.094387755,0.705592105,0.542763158,0,0,1.3125,1.227678571,1.0875,1.094387755,0.705592105,0.542763158,0,0,1.3125,1.227678571,1.0875,1.094387755,0.705592105,0.542763158,0,0,1.3125,1.227678571,1.0875,1.094387755,0.705592105,0.542763158,0,0,1.282442748,1.097201018,0.972519084,1.177971647,0.890960225,0.612535155,0,0,29.69181935,14.84590967,22.02882074,29.69181935,3.711477418,14.84591115,3.55E-15,0.040659705,0.005082463,-2.562014181,61.4840671,7.685508388,3.295022456,29.69181935,14.84590967,22.02882074,29.69181935,3.711477418,14.84591115,3.55E-15,0.040659705,0.005082463,-2.562014181,61.4840671,7.685508388,3.295022456,29.69181935,14.84590967,22.02882074,29.69181935,3.711477418,14.84591115,3.55E-15,0.040659705,0.005082463,-2.562014181,61.4840671,7.685508388,3.295022456,29.69181935,14.84590967,22.02882074,29.69181935,3.711477418,14.84591115,3.55E-15,0.040659705,0.005082463,-2.562014181,61.4840671,7.685508388,3.295022456,29.69181935,14.84590967,22.02882074,29.69181935,3.711477418,14.84591115,3.55E-15,0.040659705,0.005082463,-2.562014181,61.4840671,7.685508388,3.295022456,29.69181935,14.84590967,22.02882074,29.69181935,3.711477418,14.84591115,3.55E-15,0.040659705,0.005082463,-2.562014181,61.4840671,7.685508388,3.295022456,31.29235716,15.58645636,23.41825101,31.20277383,3.900346729,15.58645705,-0.119444444,0.169865919,0.02123324,-1.418196692,34.76389807,4.345487258,2.838863549,0,11.9,12.10012615,-0.1409401,0.059943167,5.658433337,8.483505877,8,22,21,21,7,1,1,0,0,1,15.304898,3.671678409,3.109625573,2.750129472,2.463791668,1.642693285,1.456797487,1.166784528,0.332824592,1.986153629,1.59809941,1.372874417,1.195321542,0.666206401,0.664503245,0.523704877,0.083923071,3.69148223,3.1411763,2.792995694,2.517056039,1.721620909,1.556142907,1.285277931,0.463196286,1.937410952,1.524632661,1.285229005,1.097787554,0.535819138,0.522081792,0.36958988,0.270913902,3.780970353,3.282768567,2.981537655,2.746561768,2.053959605,1.9628467,1.754887098,0.957943356,1.799308701,1.311537586,1.018928274,0.791035888,0.116737221,0.037619229,0.161120783,0.943918427,3.706200293,3.164581799,2.824624264,2.556126783,1.779135011,1.62787375,1.369844186,0.555051372,1.906832416,1.478048475,1.228596505,1.033937955,0.450467634,0.425347018,0.265266737,0.399277246,3.825983167,3.353206229,3.072480534,2.854110543,2.204855193,2.141548494,1.954599921,1.207644823,1.757922119,1.246480118,0.933903671,0.689387768,0.027536505,0.135164289,0.356219287,1.155503275,3.733569233,3.253980176,2.816725818,2.647041584,1.923751184,1.715918915,1.495605646,0.7114755,1.89144528,1.34889324,1.196931573,0.921800525,0.297738476,0.283224723,0.104869681,0.607594937,0,0,0,1,1,1,5,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.088388348,0.051031036,0.204124145,0,0,0,0.144337567,0,0,0,0.49279928,0.594861352,0.49279928,0.348461713,0.420630496,0.348461713,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,5.612884175,3.573132185,2.507583597,1.904030206,1.294575975,0.878791798,0.24639964,0.102062073,0.701610522,0.446641523,0.2786204,0.190403021,0.129457598,0.08787918,0.06159991,0.051031036,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.82299,36.572,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,5,3,0,1,0,0,0,0,0,0,0,0,1,0,5,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.954027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,1.292986111,0.870833333,0,0.290694444,0,0,0,0,0,0,0,0,2.153425926,0,7.059212963,0,2.276944444,0,0,0,0,1.677083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.677083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,0.225625,0.290277778,0,0.290694444,0,0,0,0,0,0,0,0,2.153425926,0,1.371527778,0,2.276944444,0,0,0,0,1.677083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.276944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,0.290277778,0.290277778,0,0.290694444,0,0,0,0,0,0,0,0,2.153425926,0,1.455694444,0,2.276944444,0,0,0,0,1.677083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.16666667,1.645833333,0.290694444,2.276944444,0.026041667,1.371527778,4.733896343,0.128472222,0.276944444,0.881574074,0.128472222,0.276944444,0.881574074,4,0.5,0,0,0.44545,0.7,0.43333,0.43333,0.7,0.01212,0.01212,0,0,0.71429,0,0,0.125,0.125,0,5,0.625,4,0.5,1,0.125,-3,-0.375,0,0,6.97866,0.87233,8.02289,1.04423,0.13053,3.35606,0.41951,3.93185,0.57578,0.07197,-0.01785,-0.00223,0.06815,0.00852,0.272727273,8,0,0,0,0,0,0,0.75,0.945660305,1.965767808,2.99285605,3.243300369,3.243300369,3.095795255,20.8045267,43.24689177,65.8428331,71.35260811,71.35260811,68.10749561,0.212058483,0.440811291,0.671129486,0.727290078,0.727290078,0.694212967,3.513771314,2.493663811,1.466575568,1.21613125,1.21613125,1.363636364,0.209052139,0.434561929,0.661614913,0.716979319,0.716979319,0.684371141,6.786633838,16.43114617,18.84273529,19.09513934,19.09513934,18.94648,31.28312609,20.5112056,18.64729656,17.99764857,17.99764857,18.40770549,6.125,3.111111111,1.8,2,2,2,2.34,1.0842,0,2.00414513,0.5,0,7.732315986,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.076,0.353,0.392,4.039,9,10,10,10,4,2,0,0,0,61,2.302585093,2.564949357,2.708050201,2.708050201,2.708050201,2.197224577,1.609437912,0,0,0,4.430816799,1.360655738,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,0,131.9314183,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,110.1095504,5.004979566,15.69266546,1.961583183,0,0,0,64,7,3.529,34,1.241813552,2.159135962,2.95817157,3.749208208,4.46578376,5.280433762,6.08871752,0,0,0,87.040756,93.52335437,80.54269302,64.3205038,41.92959031,21.59659246,6.186526678,0,0,0,310.7210092,385.7485285,391.1527535,389.7836306,328.9139489,286.5587669,189.2601393,0,0,0,9.069181028,15.46122817,20.86596445,26.21310122,30.7699512,36.06057283,40.90682946,0,0,0,2.29563514,3.080800416,3.3782736,3.640625472,3.399625289,3.326707197,2.707122383,0,0,0,175.8046898,327.1395012,471.0878907,613.6735024,765.7113145,929.9143665,1125.911348,0,0,0,2.590701915,3.803836427,4.668104811,5.630902906,5.936406627,6.314945001,6.08871752,0,0,0,0.473749989,0.645446817,0.718101116,0.784017771,0.74521841,0.742089305,0.623484674,0,0,0,326.4771884,138.0439476,10.06128955,62.77150831,-26.54159957,-3.731698613,263.70568,164.5855471,13.79298816,0.838736754,0.354642029,0.025847972,0.161263246,-0.06818674,-0.009586926,127.0808201,53.73342667,3.916343843,24.4337278,-10.33128304,-1.452558822,0.134536896,0.207794995,4.43458525,3.554970565,389.2486967,0,1,0,515.6525243,22.70798371,8.018978506,655.7117252,25.60686871,8.687690016,848.5387075,29.12968773,9.467250882,1.437051847,1.348989838,431.637115,343.4737691,138.263975,1.256681452,3.121833544,2.484188446,3.952097372,3.906076091,6.890195592,0.763968605,5.657243339,6.757819745,2.327568871,23.32675641,8.660591944,14.86259234,9.068988479,3.819748979,4.925695913,3.89000794,1.98922606,0.683274717,0.29948271,7.08E-17,3.23E-54,2.84E-113,4.83E-194,1.58E-296,0,0,0,0,0,0,0,0,0,0,0,0,0.474777618,6.750431466,0.192560174,8.796674048,3.062630625,2.251664801,1.84081964,0.272100513,0.760150098,0.085769967,0.123557816,0.00481236,0.002109281,4.99E-19,2.28E-56,2.00E-115,3.40E-196,1.11E-298,0,0,0,0,0,0,0,0,0,0,0,0,1.532629358,6.750925303,0.623437261,9.904361299,3.674526213,4.588891637,2.921757114,0.910260402,1.230575061,0.435474332,0.42744674,0.050148499,0.021980337,5.20E-18,2.37E-55,2.09E-114,3.54E-195,1.16E-297,0,0,0,0,0,0,0,0,0,0,0,0,5.339976502,6.757008625,2.195123325,21.77986121,8.130120747,14.00674159,8.486929124,3.572143787,4.536305219,3.506119836,1.847794578,0.608785472,0.266833703,6.31E-17,2.88E-54,2.53E-113,4.30E-194,1.41E-296,0,0,0,0,0,0,0,0,0,0,0,0,2.258811414,6.751565464,0.920682823,11.21649558,4.252169258,6.263674703,3.780917828,1.373869607,1.666292897,0.802267616,0.658900179,0.108929241,0.047744228,1.13E-17,5.15E-55,4.53E-114,7.69E-195,2.52E-297,0,0,0,0,0,0,0,0,0,0,0,0,6.831939637,6.761230363,2.819932846,29.80061184,10.8378845,18.12659244,11.38254769,4.771059971,6.520011608,5.482816716,2.543785592,0.996491959,0.436767386,1.03E-16,4.71E-54,4.15E-113,7.04E-194,2.30E-296,0,0,0,0,0,0,0,0,0,0,0,0,3.445740404,6.480028538,1.390594274,14.08837914,5.180990472,8.9412859,5.340272811,2.498379725,2.646055843,1.682877485,1.128403134,0.252245626,0.110560513,2.62E-17,1.19E-54,1.05E-113,1.78E-194,5.83E-297,0,0,0,0,0,0,0,0,0,0,0,0,3.865045044,1.653681058,0.62624482,0.628976946,0.269111291,0.489980701,0.498594567,0.363697382,6.144970922,9.84762541,19.99527252,0.443465419,1.35227265,2.891795567,1.03275585,0.228085783,0.696375683,0.248698791,0.276088548,0.195743309,0.048164463,4.1526372,3.881653171,8.715472847,0.544563525,0.51999632,3.2606143,1.270660844,0.380038146,0.663898658,0.258721195,0.349610756,0.29586714,0.133887064,4.911313291,5.865192325,12.35105493,0.495847986,0.77936496,3.839100994,1.637384318,0.615736804,0.630164318,0.268766353,0.483443453,0.488940449,0.351600021,6.092222116,9.658157328,19.62095257,0.445246477,1.323983924,3.432352222,1.38026033,0.450312882,0.652175727,0.262261046,0.386968209,0.348689762,0.18803509,5.262925434,6.90472104,14.30102159,0.478263591,0.923693061,3.946916044,1.705034684,0.659373629,0.625370496,0.270154818,0.510913108,0.529608664,0.403168892,6.311324357,10.45637601,21.2050401,0.438055744,1.443690665,3.852667179,1.637258858,0.616728611,0.630896522,0.268110603,0.486836271,0.488949294,0.352721262,6.106654647,9.693607923,19.69047161,0.446344783,1.328506827 +UMLMON0175,L,ethylidenecyclohexane,CC=C1CCCCC1,13856,,UML,[1],C8H14,PubChem,,70.6,0,1.1929,1.42301041,39.1741,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1604.188161,1752.521409,1044.414507,281.939616,27.433728,0,0,3947.642614,5029.877407,7031.587075,8501.677705,7710.420624,4023.534994,839.2610996,0,0,181.25648,180.900988,339.464772,445.031748,565.821804,551.380608,181.398528,0,0,30.31423229,39.56609758,58.49435701,73.19072745,75.15521403,48.05441059,12.00454843,0,0,4342.872585,3643.766351,7589.85513,9982.078659,13277.79492,14406.01794,4992.776605,0,0,42.3125,50.125,75,102.75,129,99,27,0,0,45.09238923,49.11105724,33.42058669,27.81780014,12.89400626,3.480736,1.016064,0,0,151.8324082,201.1950963,146.4913974,134.9472652,95.19037807,49.67327153,31.08374443,0,0,6.971403077,7.23603952,7.07218275,7.063996,6.98545437,6.807168,6.718464,0,0,1.165932011,1.582643903,1.218632438,1.161757579,0.927842148,0.593264328,0.444612905,0,0,167.033561,145.7506541,158.1219819,158.445693,163.9233941,177.8520733,184.917652,0,0,1.627403846,2.005,1.5625,1.630952381,1.592592593,1.222222222,1,0,0,0.03558516,-0.008990482,0.003171158,-9.81E-04,-0.035222836,0.009954808,0.014275935,0,0,670.5194345,-58.02572029,75.2185263,-199.8663699,-719.9487517,257.8920902,309.4705082,0,0,1246.859521,-107.9013047,139.8720616,-371.6600494,-1338.775447,479.5613541,575.4736249,0,0,0.131350154,-0.01136684,0.014734793,-0.03915245,-0.141033018,0.05051929,0.060623148,0,0,5.574042193,-0.482369036,0.625293195,-1.661493346,-5.98494915,2.143862382,2.572634858,0,0,30.27828566,-2.620236259,3.396602558,-9.025258225,-32.51033877,11.64549448,13.97459338,0,0,3.540865385,-1.73881287,0.039940828,1.617326183,-2.99029216,-0.019138314,1.320543639,0,0,0.00136866,-3.60E-04,6.61E-05,-1.56E-05,-4.35E-04,1.23E-04,5.29E-04,0,0,25.78920902,-2.321028812,1.567052631,-3.172482062,-8.888256194,3.183852965,11.46187067,0,0,47.95613541,-4.316052187,2.914001283,-5.899365864,-16.52809194,5.920510544,21.31383796,0,0,0.005051929,-4.55E-04,3.07E-04,-6.21E-04,-0.001741148,6.24E-04,0.002245302,0,0,0.214386238,-0.019294761,0.013026942,-0.02637291,-0.073888261,0.026467437,0.095282773,0,0,1.164549448,-0.10480945,0.070762553,-0.143258067,-0.401362207,0.143771537,0.517577533,0,0,0.13618713,-0.069552515,8.32E-04,0.025671844,-0.036917187,-2.36E-04,0.048909024,0,0,-0.262752838,0.048270416,-0.011379027,-0.317719394,0.089795032,0.38631826,0,0,-0.09,0.060763889,-0.123015873,-0.344650206,0.12345679,0.444444444,0,0,-0.09,0.060763889,-0.123015873,-0.344650206,0.12345679,0.444444444,0,0,-0.09,0.060763889,-0.123015873,-0.344650206,0.12345679,0.444444444,0,0,-0.09,0.060763889,-0.123015873,-0.344650206,0.12345679,0.444444444,0,0,-0.09,0.060763889,-0.123015873,-0.344650206,0.12345679,0.444444444,0,0,-0.510712831,0.00610998,0.188504186,-0.271076915,-0.001734932,0.359131025,0,0,1.80070438,0.973546379,1.088780512,1.429110431,0.603716632,0,0,0,1.625,1.128472222,1.28968254,1.33744856,0.50154321,0,0,0,1.625,1.128472222,1.28968254,1.33744856,0.50154321,0,0,0,1.625,1.128472222,1.28968254,1.33744856,0.50154321,0,0,0,1.625,1.128472222,1.28968254,1.33744856,0.50154321,0,0,0,1.625,1.128472222,1.28968254,1.33744856,0.50154321,0,0,0,2.118126273,0.827393075,0.74596709,1.503608157,0.784491212,0,0,0,33.34098699,16.6704935,21.90656147,33.34098699,4.167623374,16.67049366,1.07E-14,6.94E-17,8.67E-18,-29.76544336,4000015.273,500001.9091,12.16144699,33.34098699,16.6704935,21.90656147,33.34098699,4.167623374,16.67049366,1.07E-14,6.94E-17,8.67E-18,-29.76544336,4000015.273,500001.9091,12.16144699,33.34098699,16.6704935,21.90656147,33.34098699,4.167623374,16.67049366,1.07E-14,6.94E-17,8.67E-18,-29.76544336,4000015.273,500001.9091,12.16144699,33.34098699,16.6704935,21.90656147,33.34098699,4.167623374,16.67049366,1.07E-14,6.94E-17,8.67E-18,-29.76544336,4000015.273,500001.9091,12.16144699,33.34098699,16.6704935,21.90656147,33.34098699,4.167623374,16.67049366,1.07E-14,6.94E-17,8.67E-18,-29.76544336,4000015.273,500001.9091,12.16144699,33.34098699,16.6704935,21.90656147,33.34098699,4.167623374,16.67049366,1.07E-14,6.94E-17,8.67E-18,-29.76544336,4000015.273,500001.9091,12.16144699,44.47210779,22.1110539,29.51086275,44.28460779,5.535575974,22.1110539,-0.25,4.44E-16,5.55E-17,-28.28040497,4000009.639,500001.2048,12.16144586,0,11.89,12.11011416,-0.167867879,0.052715655,5.749123776,9.528252778,7,25,25,25,7,0,0,0,0,0,19.677726,3.608099227,2.902564078,2.902564078,2.555281727,1.927669322,1.598026915,1.598026915,0.422956044,1.959622624,1.563026335,1.563026335,1.360288238,0.942326247,0.769718516,0.769718516,0.083923071,3.630582356,2.950308951,2.950308951,2.615756361,2.008401684,1.695309721,1.695309721,0.536187631,1.90589265,1.473453684,1.473453684,1.255317559,0.816976117,0.630337185,0.630337185,0.270913902,3.731599331,3.155598408,3.155598408,2.872138949,2.342549921,2.090117344,2.090117344,0.96371556,1.752181216,1.195492746,1.195492746,0.921177253,0.404890011,0.162386152,0.162386152,0.943918427,3.647262125,2.985267979,2.985267979,2.659856589,2.066840327,1.765276817,1.765276817,0.615751511,1.872049855,1.415133181,1.415133181,1.186285557,0.733543403,0.536857124,0.536857124,0.399277246,3.782046607,3.252217518,3.252217518,2.9904353,2.492084986,2.26277616,2.26277616,1.207644823,1.705673677,1.104407163,1.104407163,0.808823153,0.26130949,0.004703131,0.004703131,1.134173896,3.601791505,3.077859519,3.077859519,2.808097698,2.169004015,1.851311764,1.851311764,0.633365324,1.903267414,1.310195417,1.310195417,1.02915745,0.607106405,0.418975866,0.418975866,0.581818182,0,0,0,0,0,4,3,0,1,0,0,0,0,0,0,0,0,0,0,0.926776695,0.176776695,0,0,0.926776695,0.176776695,0,0,2.030330086,1.810660172,0,2.030330086,1.810660172,0,6.621320344,3.681980515,2.871320344,2.560660172,0.75,0,0,0,0.827665043,0.525997216,0.319035594,0.284517797,0.25,0,0,0,6.621320344,3.681980515,2.871320344,2.560660172,0.75,0,0,0,0.827665043,0.525997216,0.319035594,0.284517797,0.25,0,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,16.6704935,21.90656147,33.34098699,4.167623374,16.67049366,6.94E-17,8.67E-18,-29.76544336,4000015.273,500001.9091,12.16144699,41,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,9.166666667,0,3.958333333,0,0,0,0,0,0,0,0,0,0.625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.270833333,0,1.319444444,0,0,0,0,0,0,0,0,0,0.625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.354166667,0,1.319444444,0,0,0,0,0,0,0,0,0,0.625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.75,1.71875,0.2,2.354166667,0,0.625,6.021041667,0.625,0.354166667,2.333333333,0.625,0.354166667,2.333333333,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0,0.125,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.40685,1.17586,9.40685,0,0,3.68198,0.46025,3.68198,0,0,0.23202,0.029,0.23202,0.029,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.083551256,2.457987313,2.27720117,1.736936887,23.15278265,34.39789514,54.17233265,63.90767015,59.20723043,45.16035906,0.189448582,0.281462171,0.443267307,0.522927101,0.484465562,0.369526468,3.809948078,3.377443751,2.616888462,2.242452405,2.423238548,2.963502831,0.191756937,0.284891675,0.448668342,0.529298758,0.490368581,0.374029,6.648700044,11.83875197,13.97721418,14.35458021,12.18514649,5.701975091,31.72521615,24.13720728,24.21779674,23.8863455,22.80162864,15.24630525,8,3.111111111,2.222222222,8,0,5,2.34,1.2358,1.732050808,5.82590126,0,2.37841423,1.5,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,3.354,9,9,3,0,0,0,0,0,0,36,2.079441542,2.302585093,2.302585093,1.386294361,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,2,4,1,3,1.333333333,0.375,0,0,0,0,0,0,0,0.428571429,0.148148148,0.041666667,0,0,0,0,0,0,0,0.618386243,16.6704935,21.90656147,33.34098699,4.167623374,16.67049366,6.94E-17,8.67E-18,-29.76544336,4000015.273,500001.9091,12.16144699,0,146.9243357,4,3.496507561,4.234106505,5.030437921,5.789960171,6.591673732,7.35436233,8.157370441,8.920656297,9.723942139,74.2990171,2.708050201,0,3.931825633,0,5.416100402,0,6.965080346,0,8.528133131,8.765458532,114.1408506,4.390032714,14.43014069,1.803767586,0,0,0,64,9,4.868,32,1.2278,2.116401194,2.915846991,3.513449383,3.953236004,4.545788315,0,0,0,0,71.2221278,80.92015264,87.60651113,48.19424766,14.58564355,4.618811858,0,0,0,0,272.5498825,339.0696678,412.595636,343.8714492,202.5962055,141.3001222,0,0,0,0,8.919363223,15.03311663,20.64310879,24.56910019,26.94005053,30.54071514,0,0,0,0,2.081648384,2.75612872,3.505856552,3.321001339,2.395100522,2.021116147,0,0,0,0,176.77647,329.9402209,458.6923803,573.9932241,700.7248022,840.5965017,0,0,0,0,2.512415,3.428421659,4.858271113,5.64279001,4.906159986,4.545788315,0,0,0,0,0.4321989,0.579781655,0.742890154,0.718303164,0.535933707,0.465488723,0,0,0,0,361.0318278,158.2010919,8.736960079,141.1100991,-61.83325138,-8.397553722,219.9217287,220.0343433,17.1345138,0.718983635,0.315052545,0.017399384,0.281016365,-0.123138993,-0.016723467,181.2892176,79.43940114,4.387193969,70.85729706,-31.04906799,-4.216763807,0.061130948,0.14784157,1.180594378,7.057816512,502.1419268,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,805.8332953,28.38720302,9.30568618,1.312269645,1.080871463,383.9820277,306.3468434,198.1374314,1.253422504,1.937958037,1.546133112,3.965650948,3.220194404,6.42424645,0.994987148,5.221382682,6.639752593,3.064874618,31.54069578,8.80390472,14.07001805,15.55651927,15.52141369,5.270165988,4.564169252,0.162548497,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422728311,6.639331751,0.180571034,10.67634928,2.072399448,1.442564053,0.850249175,0.669577445,0.966408609,0.069215674,0.001145911,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.374809609,6.639367635,0.633407336,13.55649255,2.585867638,2.806919854,2.846257295,2.578597311,1.255549687,0.430223831,0.011932885,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.917909961,6.639709135,2.840218615,29.77565187,8.08736367,12.86779261,14.30037373,14.2150716,4.798201402,4.092117426,0.14482852,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.036527027,6.639407121,0.984620214,15.94298954,3.193870147,4.103724634,4.515113506,4.222389876,1.629025461,0.843283268,0.025917192,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.356022077,6.639933591,3.951267048,38.62965516,11.80260601,19.00862137,20.61148841,20.80911417,7.254365017,6.535500318,0.237058222,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.183672188,5.498497917,1.410419916,19.01306742,4.794527234,6.547651372,7.565377142,6.885416512,2.737654164,1.708251179,0.055029386,0.381405489,2.72E-15,3.73E-51,9.89E-109,5.06E-188,4.98E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,2.860570112,1.733886857,0.999561055,0.511362334,0.309953749,0.426953056,0.41364766,0.437699936,5.594018025,9.552345178,20.104091,0.267043501,1.278300651,2.15605128,1.211906575,0.529352653,0.553215166,0.310959718,0.242617668,0.201969013,0.122642589,3.897310508,4.395770147,9.676243523,0.329822749,0.56722927,2.446424248,1.427010944,0.723189834,0.532221844,0.310447543,0.312326003,0.280073635,0.229002471,4.596625026,6.292303129,13.41363751,0.298332766,0.82140211,2.844156017,1.721722532,0.988609336,0.512046488,0.309969626,0.422069764,0.407856402,0.428153261,5.554487885,9.410717662,19.8062747,0.268069733,1.258079427,2.571253371,1.519497676,0.806502478,0.525039873,0.310275478,0.344994092,0.317586193,0.284851617,4.897253525,7.206214377,15.25448399,0.28755981,0.947431901,2.911642669,1.771737099,1.033636453,0.509294107,0.309905907,0.442327061,0.431930081,0.46807766,5.717016221,9.999577388,21.04877815,0.26394116,1.342334802,2.853496663,1.723790822,0.990330969,0.512516561,0.309610085,0.424835996,0.4088159,0.429643904,5.567618454,9.451860906,19.89075038,0.268774842,1.2632958 +UMLMON0176,L,3-Methyl-3-ethylpentane,CCC(C)(CC)CC,14018,,"Sandia, UML",[1],C8H18,PubChem,,88.7,0,0.8578,0.73582084,44.0225,29.17586,0,0,29,9,20,0,9,0,0,0,0,0,0,0,0,0,1318.698369,1396.254728,1797.896698,2191.410156,1616.395542,509.011776,54.867456,0,0,4433.327004,5682.867541,7945.134187,9958.730877,10171.30826,6368.547788,1678.522199,0,0,202.233924,202.676768,382.19428,507.96408,633.544152,739.96416,362.797056,0,0,33.9923581,44.5820862,66.18204716,84.22510488,94.21676832,72.09972431,24.00909686,0,0,4839.502245,4076.805803,8514.057329,11471.96764,14386.14265,18826.48266,9985.553209,0,0,46.5625,55.5,83.5,111,150,144,54,0,0,45.47235755,49.86624029,33.2943833,30.43625217,17.95995047,4.713072,1.016064,0,0,152.873345,202.9595551,147.1321146,138.3157066,113.0145362,58.96803508,31.08374443,0,0,6.973583586,7.238456,7.077671852,7.055056667,7.039379467,6.85152,6.718464,0,0,1.172150279,1.592217364,1.225593466,1.169793123,1.046852981,0.66759004,0.444612905,0,0,166.8793878,145.6002072,157.6677283,159.3328839,159.8460294,174.3192839,184.917652,0,0,1.605603448,1.982142857,1.546296296,1.541666667,1.666666667,1.333333333,1,0,0,0.039883493,-0.009553413,-0.002033221,0.013194177,-0.040843689,-0.009257736,0.028552137,0,0,751.4441938,-57.58193056,36.85243556,38.00407417,-929.3723592,-93.28272751,629.6584107,0,0,1397.342566,-107.0760587,68.52867757,70.67019875,-1728.207588,-173.4632151,1170.876702,0,0,0.147202759,-0.011279905,0.007219139,0.007444737,-0.182057665,-0.018273446,0.12334576,0,0,6.246771423,-0.478679803,0.306355074,0.31592867,-7.725892013,-0.77546128,5.234363641,0,0,33.93256151,-2.600196285,1.664125622,1.716129548,-41.96716803,-4.212317981,28.43314637,0,0,3.715517241,-1.587395957,-0.810790725,2.23216409,-1.457639715,-2.742271106,2.508174792,0,0,0.001375293,-3.41E-04,-3.77E-05,1.83E-04,-4.54E-04,-8.57E-05,5.29E-04,0,0,25.91186875,-2.05649752,0.68245251,0.527834363,-10.32635955,-0.863728958,11.66034094,0,0,48.18422642,-3.824144954,1.269049585,0.981530538,-19.20230653,-1.606140881,21.68290189,0,0,0.005075957,-4.03E-04,1.34E-04,1.03E-04,-0.002022863,-1.69E-04,0.002284181,0,0,0.215405911,-0.017095707,0.005673242,0.004387898,-0.085843245,-0.007180197,0.09693266,0,0,1.170088328,-0.092864153,0.030817141,0.023835133,-0.466301867,-0.039002944,0.526539748,0,0,0.128121284,-0.056692713,-0.015014643,0.031002279,-0.016195997,-0.025391399,0.046447681,0,0,-0.248087773,-0.027377622,0.133246135,-0.329979736,-0.062328381,0.384458682,0,0,-0.079365079,0.026337449,0.02037037,-0.398518519,-0.033333333,0.45,0,0,-0.079365079,0.026337449,0.02037037,-0.398518519,-0.033333333,0.45,0,0,-0.079365079,0.026337449,0.02037037,-0.398518519,-0.033333333,0.45,0,0,-0.079365079,0.026337449,0.02037037,-0.398518519,-0.033333333,0.45,0,0,-0.079365079,0.026337449,0.02037037,-0.398518519,-0.033333333,0.45,0,0,-0.442492542,-0.117190857,0.241976025,-0.126411446,-0.198182521,0.362529002,0,0,1.784875369,1.054553482,0.874155264,1.538079911,0.904733617,0,0,0,1.611111111,1.169547325,1.127777778,1.503703704,0.751851852,0,0,0,1.611111111,1.169547325,1.127777778,1.503703704,0.751851852,0,0,0,1.611111111,1.169547325,1.127777778,1.503703704,0.751851852,0,0,0,1.611111111,1.169547325,1.127777778,1.503703704,0.751851852,0,0,0,1.611111111,1.169547325,1.127777778,1.503703704,0.751851852,0,0,0,2.052204176,0.959439718,0.510247486,1.381593194,1.255993813,0,0,0,40.78460969,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,-7.11E-15,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,40.78460969,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,-7.11E-15,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,40.78460969,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,-7.11E-15,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,40.78460969,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,-7.11E-15,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,40.78460969,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,-7.11E-15,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,40.78460969,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,-7.11E-15,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,53.61524149,26.67613926,33.85352069,53.41071474,5.93452386,26.67613926,-0.262962963,1.80E-16,2.00E-17,-32.62616348,4000024.211,444447.1345,13.68162987,0,11.89,12.11013444,-0.167750256,0.052870184,5.906707008,10.15700279,8,28,28,28,8,0,0,0,0,0,21.86414,3.637282007,2.902564078,2.902564078,2.902564078,2.14936441,1.598026915,1.598026915,1.598026915,1.974892075,1.563026335,1.563026335,1.563026335,1.048930994,0.769718516,0.769718516,0.769718516,3.658753114,2.950308951,2.950308951,2.950308951,2.217766728,1.695309721,1.695309721,1.695309721,1.922967344,1.473453684,1.473453684,1.473453684,0.933620224,0.630337185,0.630337185,0.630337185,3.755381836,3.155598408,3.155598408,3.155598408,2.507077934,2.090117344,2.090117344,2.090117344,1.775109076,1.195492746,1.195492746,1.195492746,0.562129754,0.162386152,0.162386152,0.162386152,3.674689108,2.985267979,2.985267979,2.985267979,2.267644441,1.765276817,1.765276817,1.765276817,1.890327588,1.415133181,1.415133181,1.415133181,0.857422689,0.536857124,0.536857124,0.536857124,3.803761995,3.252217518,3.252217518,3.252217518,2.639666545,2.26277616,2.26277616,2.26277616,1.730553434,1.104407163,1.104407163,1.104407163,0.435831157,0.004703131,0.004703131,0.004703131,3.621293872,3.091071415,3.091071415,3.091071415,2.376484409,1.861851204,1.861851204,1.861851204,1.929394785,1.298059931,1.298059931,1.298059931,0.724306504,0.408961048,0.408961048,0.408961048,0,0,0,0,0,4,4,0,1,0,0,0,0,0,0,0,0,0,0,0.707106781,0.125,0,0,0.707106781,0.125,0,0,2.121320344,2.621320344,0,2.121320344,2.621320344,0,7.328427125,4.242640687,2.914213562,3,1.5,0,0,0,0.814269681,0.530330086,0.291421356,0.25,0.25,0,0,0,7.328427125,4.242640687,2.914213562,3,1.5,0,0,0,0.814269681,0.530330086,0.291421356,0.25,0.25,0,0,0,14.41827804,27.87836854,26.25490196,26.6,16.98554491,223.5398563,0.497182001,0.961323053,0.905341447,0.917241379,0.585708445,7.708270906,3.6128,43.597,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,48,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,4,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.208333333,0,5.375,0,0,0,0,0,0,0,0,0,0.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.302083333,0,1.34375,0,0,0,0,0,0,0,0,0,0.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.302083333,0,1.34375,0,0,0,0,0,0,0,0,0,0.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.25,1.694444444,0.2,2.302083333,0,0.666666667,6.732083333,0.583333333,0.302083333,2.416666667,0.583333333,0.302083333,2.416666667,4.5,0.5,0,0,0.42414,0.7,0.42414,0.42414,0.7,0,0,0,0,0.71429,0,0,0.44444,0,0.11111,4,0.44444,4,0.44444,0,0,-4,-0.44444,0,0,11.07107,1.23012,11.07107,0,0,4.24264,0.4714,4.24264,0,0,0.17136,0.01904,0.17136,0.01904,0,8,0,0,0,0,0,0,1,0.893571102,1.325616792,1.995237891,1.995237891,1.827721305,1.43351703,25.91356195,38.44288696,57.86189885,57.86189885,53.00391785,41.57199387,0.183938781,0.272874018,0.4107134,0.4107134,0.376230641,0.29508494,3.964409893,3.532364203,2.862743104,2.862743104,3.03025969,3.424463965,0.185875833,0.275747644,0.415038607,0.415038607,0.380192712,0.298192468,6.65913786,11.84368614,12.51854705,12.51854705,10.50834802,5.777896713,35.68332321,27.32073783,30.34847186,30.34847186,29.34337234,19.88246974,9,3.92,2,9,0,5,2.45,1.3767,1.5,7.019061402,0,2,3,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,3.853,10,12,6,0,0,0,0,0,0,45,2.197224577,2.397895273,2.564949357,1.945910149,0,0,0,0,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.5,8,1,1,2,4,1,3,1.333333333,0.75,0,0,0,0,0,0,0,0.375,0.133333333,0.0625,0,0,0,0,0,0,0,0.570833333,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,0,164.2203203,4.169925001,3.610917913,4.394449155,5.198497031,5.993961427,6.803505258,7.601402335,8.412054873,9.210440367,10.02131503,78.24654339,2.833213344,0,4.043051268,0,5.549076085,0,7.136483209,0,8.741456116,8.968268811,128.1565006,4.419189677,16.42830086,1.825366762,0,0,0,88,12,5.437,36,1.230142857,2.121349563,2.909612768,3.545081013,3.977681278,4.356754031,0,0,0,0,72.40063676,80.54932465,96.2260113,66.2617814,19.12908082,4.426740927,0,0,0,0,275.5059647,340.3496337,424.8349438,409.3363689,237.4371121,135.4242288,0,0,0,0,8.939719117,15.07778393,20.58019479,24.98005525,27.26691045,29.27069511,0,0,0,0,2.098837641,2.771904304,3.541786163,3.768141885,2.678498865,1.937069065,0,0,0,0,176.9060838,329.9031207,459.7773136,564.801096,692.2915066,805.6407258,0,0,0,0,2.491660714,3.383177224,4.599946292,5.978423548,5.338015732,4.356754031,0,0,0,0,0.435567857,0.583208226,0.748520496,0.808326005,0.594496584,0.446131613,0,0,0,0,375.1899386,183.9543703,9.104550462,141.7390721,-69.49419233,-8.440468948,233.4508665,253.4485626,17.54501941,0.725805538,0.355860024,0.017612767,0.274194462,-0.134436626,-0.016328101,193.9465638,95.09135065,4.706406264,73.26903834,-35.92356409,-4.363123264,0.054651513,0.132112797,1.055459976,6.282011201,516.9290108,0,1,0,496.6525532,22.28570289,7.919253116,690.3932748,26.27533586,8.838234442,974.8414171,31.22245053,9.915424777,1.312269645,1.080871463,425.3191316,386.0842576,259.7526301,1.101622569,1.637400674,1.486353603,4.139130056,3.220194404,6.42424645,0.994987148,6.577483003,7.947321096,4.894232853,32.64673409,12.5509315,15.76826118,21.51994865,23.16097971,8.302915224,6.907280967,0.856847676,1.126710554,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.475163179,7.590335798,0.313701462,12.65303744,2.171182234,2.499689191,1.23899304,1.054808198,1.047084484,0.085818343,0.006035917,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.584516329,7.614198103,1.076607389,15.59439644,3.04686507,4.05127613,4.039637656,3.990190405,1.630530531,0.602451745,0.062890516,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.155698932,7.90813001,4.552940442,31.01951764,11.47574245,14.54672713,19.80462297,21.24977999,7.541168937,6.179856596,0.763436589,1.003878819,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.386511028,7.645129725,1.651411966,17.95197167,4.017079759,5.459873195,6.35980804,6.473469944,2.297571008,1.217139377,0.136603977,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,8.193892073,8.112112566,6.227004659,39.12940644,17.03117373,20.75571503,28.40892392,30.87071806,11.4838725,9.952382561,1.249628323,1.643201452,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.845122238,6.567009009,2.609516396,19.9774825,6.170132562,7.980371239,10.81473787,11.00675398,4.141765757,2.574153153,0.29843929,0.392425928,2.80E-15,3.84E-51,1.02E-108,5.20E-188,5.13E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,2.888682359,1.711309498,1.343196526,0.486049267,0.287944684,0.488100275,0.449747773,0.511014452,5.943188382,11.12212264,23.70530843,0.229073901,1.4488625,2.152455777,1.167032579,0.863164121,0.514615017,0.279017343,0.270385225,0.208707721,0.21193646,4.182652476,5.377249263,11.72815794,0.271922526,0.691029406,2.454682878,1.390499183,1.060269934,0.500398919,0.283459951,0.352000337,0.296575399,0.31916834,4.905451996,7.490165469,16.01456742,0.250598379,0.967744076,2.871415325,1.698547471,1.331942281,0.486523468,0.287796474,0.482259513,0.443045525,0.50253089,5.901905078,10.96416191,23.36226282,0.229785202,1.427835928,2.585131028,1.4869357,1.145322894,0.495483607,0.284996101,0.390564961,0.339268579,0.372146389,5.217389622,8.507754864,18.1276782,0.24322541,1.10197993,2.942443786,1.751043652,1.378235901,0.484614272,0.288393188,0.506511765,0.470938227,0.537879225,6.071723339,11.6210804,24.79395405,0.226921408,1.515329217,2.882807732,1.702683592,1.333091496,0.487077366,0.28768434,0.486110471,0.445395808,0.50359341,5.91858282,11.02138891,23.4834639,0.230616049,1.435099689 +UMLMON0177,L,"3,3-diethylpentane",CCC(CC)(CC)CC,14020,,"Sandia, UML",[1],C9H20,PubChem,,91.6,0,0.603,0.363609,40.1487,29.17586,0,0,29,9,20,0,9,0,0,0,0,0,0,0,0,0,1318.698369,1396.254728,1797.896698,1949.278138,1725.435272,623.814912,73.156608,0,0,4433.327004,5682.867541,7945.134187,9508.47605,9617.728623,6812.874852,2238.029599,0,0,202.233924,202.676768,382.19428,507.916648,628.801568,623.821824,483.729408,0,0,33.9923581,44.5820862,66.18204716,82.21225631,88.20244002,72.12386888,32.01212915,0,0,4839.502245,4076.805803,8514.057329,11461.03381,14778.61773,15116.42368,13314.07095,0,0,47.58333333,56.22222222,85.11111111,115,140,138,72,0,0,45.47235755,49.86624029,33.2943833,27.07330747,19.17150302,6.9312768,1.016064,0,0,152.873345,202.9595551,147.1321146,132.0621674,106.8636514,75.69860947,31.08374443,0,0,6.973583586,7.238456,7.077671852,7.054397889,6.986684089,6.9313536,6.718464,0,0,1.172150279,1.592217364,1.225593466,1.141836893,0.980027111,0.801376321,0.444612905,0,0,166.8793878,145.6002072,157.6677283,159.1810252,164.2068636,167.9602631,184.917652,0,0,1.640804598,2.007936508,1.576131687,1.597222222,1.555555556,1.533333333,1,0,0,0.039622214,-0.009010392,-4.68E-04,-0.004910494,-0.001029033,-0.042823548,0.038430561,0,0,751.4441938,-57.58193056,36.85243556,-204.1279438,-236.3738249,-754.0353807,839.5445475,0,0,1397.342566,-107.0760587,68.52867757,-379.5846281,-439.547221,-1402.160989,1561.168936,0,0,0.147202759,-0.011279905,0.007219139,-0.039987263,-0.04630401,-0.147710354,0.164461013,0,0,6.246771423,-0.478679803,0.306355074,-1.6969199,-1.964980589,-6.268312014,6.979151521,0,0,33.93256151,-2.600196285,1.664125622,-9.217695829,-10.67380575,-34.04957035,37.91086183,0,0,4.126436782,-2.198705245,0.772228828,-1.124256837,3.107609988,-6.237217598,3.617122473,0,0,0.001366283,-3.22E-04,-8.67E-06,-6.82E-05,-1.14E-05,-4.76E-04,5.34E-04,0,0,25.91186875,-2.05649752,0.68245251,-2.835110331,-2.626375833,-8.378170896,11.66034094,0,0,48.18422642,-3.824144954,1.269049585,-5.272008724,-4.883858011,-15.57956654,21.68290189,0,0,0.005075957,-4.03E-04,1.34E-04,-5.55E-04,-5.14E-04,-0.001641226,0.002284181,0,0,0.215405911,-0.017095707,0.005673242,-0.023568332,-0.021833118,-0.069647911,0.09693266,0,0,1.170088328,-0.092864153,0.030817141,-0.128023553,-0.118597842,-0.378328559,0.526539748,0,0,0.142290924,-0.078525187,0.014300534,-0.015614678,0.034529,-0.069302418,0.050237812,0,0,-0.235529272,-0.006345972,-0.049917399,-0.00836847,-0.348256628,0.390664079,0,0,-0.079365079,0.026337449,-0.10941358,-0.101358025,-0.323333333,0.45,0,0,-0.079365079,0.026337449,-0.10941358,-0.101358025,-0.323333333,0.45,0,0,-0.079365079,0.026337449,-0.10941358,-0.101358025,-0.323333333,0.45,0,0,-0.079365079,0.026337449,-0.10941358,-0.101358025,-0.323333333,0.45,0,0,-0.079365079,0.026337449,-0.10941358,-0.101358025,-0.323333333,0.45,0,0,-0.551863642,0.100502081,-0.109737697,0.24266481,-0.487047354,0.353064067,0,0,1.769789966,1.035944901,1.132017818,1.033193297,1.400127248,1.01E-05,0,0,1.611111111,1.169547325,1.25308642,1.102716049,1.202962963,0,0,0,1.611111111,1.169547325,1.25308642,1.102716049,1.202962963,0,0,0,1.611111111,1.169547325,1.25308642,1.102716049,1.202962963,0,0,0,1.611111111,1.169547325,1.25308642,1.102716049,1.202962963,0,0,0,1.611111111,1.169547325,1.25308642,1.102716049,1.202962963,0,0,0,2.167595172,0.708569758,1.107358403,0.716248839,1.809470752,0,0,0,41.48767932,20.74383966,28.20794127,41.48767932,4.609742146,20.74383966,-3.55E-15,1.67E-16,1.85E-17,-32.69820192,4000010.529,444445.6143,13.6816268,41.48767932,20.74383966,28.20794127,41.48767932,4.609742146,20.74383966,-3.55E-15,1.67E-16,1.85E-17,-32.69820192,4000010.529,444445.6143,13.6816268,41.48767932,20.74383966,28.20794127,41.48767932,4.609742146,20.74383966,-3.55E-15,1.67E-16,1.85E-17,-32.69820192,4000010.529,444445.6143,13.6816268,41.48767932,20.74383966,28.20794127,41.48767932,4.609742146,20.74383966,-3.55E-15,1.67E-16,1.85E-17,-32.69820192,4000010.529,444445.6143,13.6816268,41.48767932,20.74383966,28.20794127,41.48767932,4.609742146,20.74383966,-3.55E-15,1.67E-16,1.85E-17,-32.69820192,4000010.529,444445.6143,13.6816268,41.48767932,20.74383966,28.20794127,41.48767932,4.609742146,20.74383966,-3.55E-15,1.67E-16,1.85E-17,-32.69820192,4000010.529,444445.6143,13.6816268,57.13472433,28.40301031,39.96807578,56.87906589,6.31989621,28.40301031,-0.328703704,3.33E-16,3.70E-17,-32.07436945,4000010.15,444445.5722,13.68162671,0,11.89,12.11013444,-0.163192193,0.057764447,5.755740236,9.528254218,8,28,28,28,8,0,0,0,0,0,21.86414,3.617524123,3.112599877,2.965363309,2.333552793,2.333552793,2.125929093,1.462643658,1.162837791,1.96903559,1.667247237,1.594218112,1.249629723,1.249629723,1.019639561,0.650559209,0.440344289,3.640334947,3.150713835,3.010171117,2.405454588,2.405454588,2.19362226,1.561842269,1.269690916,1.915793754,1.58857667,1.50783984,1.134540686,1.134540686,0.904749603,0.510120709,0.290000277,3.742113118,3.318028628,3.203998973,2.704236987,2.704236987,2.480513925,1.963546673,1.702702127,1.762729161,1.351217995,1.241889798,0.76031856,0.76031856,0.535194176,0.036881706,0.218324093,3.657217156,3.178805544,3.04304316,2.457539916,2.457539916,2.243019406,1.633146515,1.346550641,1.882203215,1.537907807,1.451768135,1.058262671,1.058262671,0.82887486,0.415804023,0.188893887,3.792584186,3.398793114,3.295890183,2.838982085,2.838982085,2.612248097,2.138641733,1.891182114,1.716091445,1.275766962,1.155485387,0.631337262,0.631337262,0.409786318,0.132771797,0.40108138,3.60570914,3.243302266,3.123728358,2.627181624,2.627181624,2.310625592,1.69996968,1.403021959,1.923265063,1.458235189,1.356848153,0.88524614,0.88524614,0.728730198,0.315044031,0.091314842,0,0,0,0,0,5,1,3,0,0,0,0,0,0,0,0,0,0,0,0.80274943,0,0.272165527,0,0.80274943,0,0.272165527,0,1.536718518,2.329866988,1.008946671,1.536718518,2.329866988,1.008946671,7.439157589,4.091422815,3.560136773,2.184013921,1.712609401,0,0,0,0.826573065,0.511427852,0.356013677,0.218401392,0.214076175,0,0,0,7.439157589,4.091422815,3.560136773,2.184013921,1.712609401,0,0,0,0.826573065,0.511427852,0.356013677,0.218401392,0.214076175,0,0,0,14.41827804,27.87836854,26.25490196,26.6,16.98554491,223.5398563,0.497182001,0.961323053,0.905341447,0.917241379,0.585708445,7.708270906,3.3246,43.457,20.74383966,28.20794127,41.48767932,4.609742146,20.74383966,1.67E-16,1.85E-17,-32.69820192,4000010.529,444445.6143,13.6816268,50,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,5,0,1,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,11.53703704,0,1.328703704,0,0,0,2.634259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.282407407,0,1.328703704,0,0,0,0.856481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.313657407,0,1.328703704,0,0,0,0.921296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.5,1.722222222,0.2,2.313657407,0.2,0.856481481,6.74399537,0.476851852,0.313657407,3.074074074,0.476851852,0.313657407,3.074074074,4.5,0.5,0,0,0.42414,0.7,0.42414,0.42414,0.7,0,0,0,0,0.71429,0,0,0.55556,0.33333,0,4,0.44444,4,0.44444,0,0,-4,-0.44444,0,0,11.20719,1.24524,11.20719,0,0,4.0914,0.4546,4.0914,0,0,0.3226,0.03584,0.3226,0.03584,0,8,0,0,0,0,0,0,1,0.893571102,1.313046862,2.259420773,2.727827978,2.560311391,1.959210565,25.91356195,38.07835898,65.52320242,79.10701135,74.24903035,56.81710637,0.183938781,0.270286537,0.465094609,0.561514749,0.52703199,0.403297289,3.964409893,3.544934134,2.598560222,2.130153018,2.297669604,2.898770431,0.185875833,0.273132915,0.469992503,0.567428039,0.532582144,0.407544397,6.65913786,11.69284698,15.05904027,15.53111277,13.52091374,8.14907544,35.68332321,27.61103379,24.59606233,24.23775986,23.23266034,18.86723238,9,3.92,2.88,9,0,5,2.45,1.3767,2.871745887,2.076218233,7.671838029,0,0,1.889881575,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.139,0.124,0.01,-0.005,3.581,10,10,8,0,0,0,0,0,0,45,2.197224577,2.397895273,2.397895273,2.197224577,0,0,0,0,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.375,8,1,1,2,4,1,2.5,1.333333333,1,0,0,0,0,0,0,0,0.3125,0.133333333,0.1,0,0,0,0,0,0,0,0.545833333,20.74383966,28.20794127,41.48767932,4.609742146,20.74383966,1.67E-16,1.85E-17,-32.69820192,4000010.529,444445.6143,13.6816268,0,164.2203203,4.169925001,3.610917913,4.343805422,5.141663557,5.888877958,6.690842277,7.44132039,8.24407127,8.995288991,9.798182591,77.15497037,2.833213344,0,4.043051268,0,5.451038454,0,6.947937069,0,8.479906607,8.727454117,128.1565006,4.419189677,16.33353187,1.814836875,0,0,0,90,10,5.278,36,1.230142857,2.12123258,2.909303691,3.528225159,4.185537745,4.599846603,0,0,0,0,72.40063676,80.54106823,87.24111763,74.4959363,29.72280583,4.673738539,0,0,0,0,275.5059647,340.2839048,407.4650411,400.5023129,322.207197,142.9804562,0,0,0,0,8.939719117,15.0767006,20.57224469,24.71943965,29.0370558,30.90390381,0,0,0,0,2.098837641,2.77135494,3.460983806,3.612801768,3.397114609,2.04515116,0,0,0,0,176.9060838,329.9051835,459.6490898,574.1769404,700.963803,850.5928336,0,0,0,0,2.516301587,3.469306064,4.753082027,5.665279221,6.481992212,4.599846603,0,0,0,0,0.435567857,0.583093918,0.733516745,0.773919544,0.7445912,0.471024292,0,0,0,0,386.1403525,188.8911008,9.254304561,134.2857417,-65.68953858,-8.044892775,251.8546108,254.5806394,17.29919734,0.741969622,0.362954708,0.017782169,0.258030378,-0.126222607,-0.015458281,200.9575155,98.30385786,4.816181578,69.88580409,-34.18655,-4.186772125,0.062022785,0.132704154,0.624292321,7.23661783,520.4260943,0,1,0,496.6525532,22.28570289,7.919253116,690.3932748,26.27533586,8.838234442,947.9588276,30.78894002,9.823430082,1.109914425,1.04424354,523.3504508,339.9512092,302.5450558,1.539486952,1.729826486,1.12363829,4.302783096,3.220218461,6.42424645,0.994972244,5.578011223,7.947188571,4.934036049,29.37692058,9.060692396,9.670652939,15.17119569,26.01345368,9.222014477,10.6138064,3.081001081,1.520643639,8.38E-15,1.11E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.468123817,7.59033269,0.295166782,11.86902249,1.569411516,2.041956784,1.501300007,1.420290015,1.170388298,0.213342923,0.021700817,0.010710017,5.90E-17,7.81E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.511160755,7.61418279,1.0311893,14.63934634,2.114126779,2.76920958,3.387574909,5.002169261,1.998040867,1.135055327,0.226130807,0.11160664,6.15E-16,8.14E-52,2.15E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.26518757,7.908010436,4.575449119,28.02087926,8.253828176,8.910029042,14.01451428,23.99912223,8.440476869,9.55213717,2.745117234,1.354866105,7.46E-15,9.88E-51,2.61E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.22717292,7.645101813,1.599057233,16.7796363,2.780349883,3.514868251,4.950872349,7.888021632,2.80844294,2.124456183,0.491183687,0.242424535,1.34E-15,1.77E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.736256414,8.111926385,6.346423247,34.72044206,12.44356298,12.82026228,19.81699817,34.04927016,12.44340601,15.0272002,4.493347016,2.217715835,1.22E-14,1.62E-50,4.27E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.479146602,6.26800044,2.377196266,19.19004249,4.045896746,4.694578792,7.644214489,12.60072109,4.831239312,4.18619914,1.038760537,0.512683183,2.82E-15,3.74E-51,9.86E-109,5.04E-188,4.96E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,2.880138324,2.537816558,0.945364797,0.452615689,0.398819592,0.457044021,0.513294259,0.436711226,6.363319679,12.43120654,25.7044459,0.277152922,1.407049507,2.187800648,1.896265108,0.465062117,0.48092749,0.416841461,0.274102754,0.300607242,0.105709545,4.549127872,6.047994296,12.52650213,0.346653426,0.680419541,2.471430125,2.160260382,0.662265666,0.466839929,0.408061629,0.343538066,0.382164183,0.21435281,5.293956173,8.406342183,17.2360901,0.312352338,0.94005506,2.863850382,2.52282467,0.93410313,0.453085095,0.399131974,0.452211282,0.50775922,0.426371774,6.320778182,12.25670242,25.32636861,0.278325603,1.386342276,2.594117394,2.27391624,0.747367096,0.461964786,0.404942826,0.375924128,0.419835869,0.272970085,5.61540073,9.537013831,19.56098783,0.300361417,1.068730082,2.930864226,2.584480242,0.98042753,0.451195674,0.397871145,0.472260999,0.530697795,0.469695088,6.495771998,12.98215624,26.90443215,0.273600229,1.472653883,2.872767826,2.529717085,0.936495289,0.45319085,0.399073196,0.455013818,0.510505416,0.42860462,6.3389802,12.32669152,25.47145443,0.278396069,1.394123854 +UMLMON0178,L,"2,4-Dimethyl-3-ethylpentane",CCC(C(C)C)C(C)C,14040,,"Sandia, UML","[1], [9]",C9H20,PubChem,,96.6,0,0.8059,0.64947481,38.6257,29.17586,0,0,29,9,20,0,9,0,0,0,0,0,0,0,0,0,1318.698369,1396.254728,1797.896698,1465.014102,1096.052669,871.862212,675.105483,236.216736,27.433728,4433.327004,5682.867541,7945.134187,8607.966396,6934.677456,5088.618011,4081.819666,2624.766494,839.2610996,202.233924,202.676768,382.19428,507.821784,619.150388,374.86696,311.98206,249.049728,181.398528,33.9923581,44.5820862,66.18204716,78.18655917,69.12881345,48.10273616,39.0812073,28.04682987,12.00454843,4839.502245,4076.805803,8514.057329,11439.16616,15525.29949,9053.567731,7574.612576,6084.723595,4992.776605,46.5625,55.125,86.625,118.625,115.375,76,65.25,54,27,45.47235755,49.86624029,33.2943833,20.34741808,12.17836299,16.14559652,15.00234407,6.561576,1.016064,152.873345,202.9595551,147.1321146,119.5550888,77.05197173,94.23366687,90.70710369,72.9101804,31.08374443,6.973583586,7.238456,7.077671852,7.053080333,6.879448756,6.941980741,6.932934667,6.918048,6.718464,1.172150279,1.592217364,1.225593466,1.085924433,0.768097927,0.89079141,0.868471273,0.779078607,0.444612905,166.8793878,145.6002072,157.6677283,158.8773078,172.5033277,167.6586617,168.3247239,169.0200999,184.917652,1.605603448,1.96875,1.604166667,1.647569444,1.281944444,1.407407407,1.45,1.5,1,0.039758999,-0.007785034,0.005763874,-0.035911028,0.01516774,6.09E-04,0.002818288,-0.015115532,0.014573148,751.4441938,-57.58193056,36.85243556,-688.3919798,302.1611806,-13.24384403,-13.81966333,-256.5275006,314.8292053,1397.342566,-107.0760587,68.52867757,-1280.094282,561.8816181,-24.6274935,-25.69825409,-477.0238416,585.438351,0.147202759,-0.011279905,0.007219139,-0.134851263,0.059191301,-0.002594378,-0.002707177,-0.050251976,0.06167288,6.246771423,-0.478679803,0.306355074,-5.722617039,2.511872264,-0.110096355,-0.114883153,-2.13251852,2.61718182,33.93256151,-2.600196285,1.664125622,-31.08534658,13.64453,-0.598045145,-0.624047108,-11.58387445,14.21657319,3.715517241,-1.962395957,2.314209275,-3.817404875,1.294515458,-0.106049346,1.372473246,-2.207193817,1.254087396,0.001371,-2.78E-04,1.07E-04,-4.99E-04,1.69E-04,1.13E-05,6.26E-05,-4.20E-04,5.40E-04,25.91186875,-2.05649752,0.68245251,-9.56099972,3.357346451,-0.245256371,-0.30710363,-7.125763907,11.66034094,48.18422642,-3.824144954,1.269049585,-17.77908725,6.24312909,-0.456064695,-0.571072313,-13.25066227,21.68290189,0.005075957,-4.03E-04,1.34E-04,-0.001872934,6.58E-04,-4.80E-05,-6.02E-05,-0.001395888,0.002284181,0.215405911,-0.017095707,0.005673242,-0.079480792,0.027909692,-0.002038821,-0.002552959,-0.059236626,0.09693266,1.170088328,-0.092864153,0.030817141,-0.431740925,0.151605889,-0.01107491,-0.013867714,-0.32177429,0.526539748,0.128121284,-0.07008557,0.042855727,-0.053019512,0.014383505,-0.001963877,0.030499405,-0.061310939,0.046447681,-0.202798629,0.077854423,-0.363795973,0.122925201,0.008226536,0.045680979,-0.306255215,0.393687983,-0.079365079,0.026337449,-0.368981481,0.129567901,-0.009465021,-0.011851852,-0.275,0.45,-0.079365079,0.026337449,-0.368981481,0.129567901,-0.009465021,-0.011851852,-0.275,0.45,-0.079365079,0.026337449,-0.368981481,0.129567901,-0.009465021,-0.011851852,-0.275,0.45,-0.079365079,0.026337449,-0.368981481,0.129567901,-0.009465021,-0.011851852,-0.275,0.45,-0.079365079,0.026337449,-0.368981481,0.129567901,-0.009465021,-0.011851852,-0.275,0.45,-0.547025191,0.334493426,-0.413822828,0.112264759,-0.015328263,0.238051044,-0.478538283,0.362529002,1.735255936,1.002130298,1.519311707,0.646465895,0.909541448,0.883009181,1.302007609,9.26E-05,1.611111111,1.169547325,1.503703704,0.651604938,0.918930041,0.902222222,1.127777778,0,1.611111111,1.169547325,1.503703704,0.651604938,0.918930041,0.902222222,1.127777778,0,1.611111111,1.169547325,1.503703704,0.651604938,0.918930041,0.902222222,1.127777778,0,1.611111111,1.169547325,1.503703704,0.651604938,0.918930041,0.902222222,1.127777778,0,1.611111111,1.169547325,1.503703704,0.651604938,0.918930041,0.902222222,1.127777778,0,2.153132251,0.523330755,1.684470869,0.552113947,0.867856836,0.70649652,1.883990719,0,47.92689089,23.96344545,37.50156891,47.92689089,5.325210099,23.96344545,3.55E-14,0.154132467,0.01712583,-1.682948582,35.89791411,3.988657124,3.222611272,47.92689089,23.96344545,37.50156891,47.92689089,5.325210099,23.96344545,3.55E-14,0.154132467,0.01712583,-1.682948582,35.89791411,3.988657124,3.222611272,47.92689089,23.96344545,37.50156891,47.92689089,5.325210099,23.96344545,3.55E-14,0.154132467,0.01712583,-1.682948582,35.89791411,3.988657124,3.222611272,47.92689089,23.96344545,37.50156891,47.92689089,5.325210099,23.96344545,3.55E-14,0.154132467,0.01712583,-1.682948582,35.89791411,3.988657124,3.222611272,47.92689089,23.96344545,37.50156891,47.92689089,5.325210099,23.96344545,3.55E-14,0.154132467,0.01712583,-1.682948582,35.89791411,3.988657124,3.222611272,47.92689089,23.96344545,37.50156891,47.92689089,5.325210099,23.96344545,3.55E-14,0.154132467,0.01712583,-1.682948582,35.89791411,3.988657124,3.222611272,60.83995519,30.28849611,48.12025704,60.63542844,6.737269826,30.28849611,-0.262962963,0.125427182,0.013936354,-1.868426923,35.40215743,3.933573048,3.210095486,0,11.89,12.11013444,-0.159448839,0.061809525,5.16629211,8.825788897,8,28,28,28,8,0,0,0,0,0,21.86414,3.578354227,3.286597921,2.776749821,2.333552793,2.333552793,2.152144173,1.57017899,1.18440105,1.951498238,1.774858276,1.449184654,1.249629723,1.249629723,1.057839088,0.730986423,0.545419754,3.602722233,3.319952215,2.824756286,2.405454588,2.405454588,2.220940542,1.664903395,1.303639071,1.895510487,1.704693676,1.357415562,1.134540686,1.134540686,0.941693355,0.591409188,0.390630622,3.711358918,3.466244717,3.03266443,2.704236987,2.704236987,2.512106899,2.053280931,1.77464362,1.733319315,1.495315213,1.073286207,0.76031856,0.76031856,0.567538069,0.124915905,0.141231313,3.620756845,3.344515217,2.860001164,2.457539916,2.457539916,2.271117815,1.733299132,1.388602848,1.860066049,1.659727513,1.297694452,1.058262671,1.058262671,0.864942044,0.49792829,0.285974778,3.765080388,3.537053666,3.131134226,2.838982085,2.838982085,2.645618959,2.224639705,1.974667832,1.683612682,1.429269569,0.980628799,0.631337262,0.631337262,0.440379637,0.040486179,0.336663552,3.606898937,3.366416088,2.920933027,2.642252836,2.642252836,2.337013195,1.808146433,1.48780245,1.866251858,1.616712059,1.209401867,0.871761033,0.871761033,0.762987202,0.385383458,0.155644914,0,0,0,0,0,4,4,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.560660172,0.353553391,0,0,0.75,0.780330086,0.551776695,0.75,0.780330086,0.551776695,7.328427125,4.060660172,4.017766953,1.530330086,0.905330086,0.5,0.375,0,0.814269681,0.507582521,0.401776695,0.255055014,0.181066017,0.125,0.125,0,7.328427125,4.060660172,4.017766953,1.530330086,0.905330086,0.5,0.375,0,0.814269681,0.507582521,0.401776695,0.255055014,0.181066017,0.125,0.125,0,14.41827804,27.87836854,26.25490196,26.6,16.98554491,223.5398563,0.497182001,0.961323053,0.905341447,0.917241379,0.585708445,7.708270906,3.6128,43.597,23.96344545,37.50156891,47.92689089,5.325210099,23.96344545,0.154132467,0.01712583,-1.682948582,35.89791411,3.988657124,3.222611272,76,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,4,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.177222222,0,5.522013889,0,0,0,0,0,0,0,0,0,0.550763889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.252638889,0,1.343333333,0,0,0,0,0,0,0,0,0,0.550763889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.308194444,0,1.402777778,0,0,0,0,0,0,0,0,0,0.550763889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.25,1.694444444,0.2,2.308194444,0,0.550763889,6.761107847,0.699236111,0.308194444,2.354444444,0.699236111,0.308194444,2.354444444,4.5,0.5,0,0,0.42414,0.7,0.42414,0.42414,0.7,0,0,0,0,0.71429,0,0,0.44444,0,0.11111,4,0.44444,4,0.44444,0,0,-4,-0.44444,0,0,10.69874,1.18875,10.69874,0,0,4.06066,0.45118,4.06066,0,0,0.35334,0.03926,0.35334,0.03926,0,8,0,0,0,0,0,0,1,0.893571102,1.325616792,2.314034874,2.96853315,2.58934479,1.945304393,25.91356195,38.44288696,67.10701135,86.08746134,75.09099892,56.41382739,0.183938781,0.272874018,0.476336749,0.611063146,0.533008423,0.400434747,3.964409893,3.532364203,2.543946121,1.889447845,2.268636205,2.912676602,0.185875833,0.275747644,0.481353033,0.617498229,0.538621515,0.404651711,6.65913786,11.84368614,16.34411084,15.9595166,11.7332423,12.29097533,35.68332321,27.32073783,23.72936322,23.57623797,31.29687818,24.77098537,9,3.92,8,9,0,7,2.45,1.3767,1.732050808,5.345770332,0,2.67496122,3.965406457,0,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,3.853,10,6,5,4,3,0,0,0,0,45,2.197224577,2.397895273,1.945910149,1.791759469,1.609437912,1.386294361,0,0,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.5,8,1,1,3,6,1,3,0.666666667,0.375,0.24,0.166666667,0,0,0,0,0,0.375,0.066666667,0.0625,0.048,0.041666667,0,0,0,0,0,0.593833333,23.96344545,37.50156891,47.92689089,5.325210099,23.96344545,0.154132467,0.01712583,-1.682948582,35.89791411,3.988657124,3.222611272,0,164.2203203,4.169925001,3.610917913,4.234106505,5.043425117,5.693732139,6.514712691,7.17395832,8.000014094,8.66302364,9.491677357,75.42556777,2.833213344,0,4.043051268,0,5.398162702,0,6.816735881,0,8.267962305,8.538954683,128.1565006,4.419189677,16.43623173,1.82624797,0,0,0,104,6,5.437,36,1.230142857,2.121349563,2.913485006,3.481061213,4.49798108,5.584722509,6.518510927,7.478183071,0,0,72.40063676,80.54932465,66.48457976,53.08654744,87.83975635,97.45167185,46.43442165,7.598312604,0,0,275.5059647,340.3496337,367.456183,301.9953927,475.301339,550.5383745,502.8914606,232.4499314,0,0,8.939719117,15.07778393,20.58661234,24.03735772,31.37364934,38.83802496,45.22719334,50.24190375,0,0,2.098837641,2.771904304,3.276228214,2.889773366,4.345030179,5.133516887,5.29934135,3.324896698,0,0,176.9060838,329.9031207,460.2704491,593.8608525,742.954088,931.1597313,1091.259304,1382.848055,0,0,2.471263393,3.550009853,4.878596698,4.620287909,6.613400034,8.401588967,10.10800793,7.478183071,0,0,0.435567857,0.583208226,0.699302419,0.626735989,0.933590093,1.106944236,1.161410306,0.765765947,0,0,423.0841731,208.6115269,10.27886454,157.4948465,-77.65651021,-9.514352714,265.5893266,286.2680371,19.79321725,0.728727975,0.359316337,0.017704506,0.271272025,-0.133757004,-0.016387696,245.6337945,121.1154758,5.967693098,91.43820359,-45.08574057,-5.523833571,0.054828761,0.132386549,0.76050366,8.618193384,580.5790197,0,1,0,496.6525532,22.28570289,7.919253116,690.3932748,26.27533586,8.838234442,862.6989968,29.37173806,9.519623323,1.99023833,1.896459864,868.9062818,859.4468741,134.3341125,1.01100639,6.468247459,6.39783044,4.773232902,4.466158665,8.836778877,0.978608361,5.578011069,7.58828792,3.37486961,30.06848493,8.072949869,6.420950138,7.648064934,14.43758131,11.00749151,5.91789572,5.586532815,7.354565918,5.969217856,6.740261725,3.036606853,0.280810174,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.468123816,7.587802768,0.195900463,10.64387599,1.055322956,0.180606765,0.604392179,0.697647036,3.32659568,0.247093157,0.050156792,1.263811973,0.358293224,1.051075197,0.116709126,0.001977835,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.511160743,7.587835974,0.689934111,13.03454379,1.545087821,0.818986981,1.578922821,2.510360993,4.54413074,0.961633733,0.436474536,1.917399917,1.250618102,1.676892681,0.467770558,0.020610049,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,5.265187433,7.588234933,3.125470447,28.32238592,7.309845972,5.814134873,7.052979798,13.24553118,10.4133482,5.414017665,4.984477014,6.773090458,5.536223549,6.202543395,2.771196923,0.250196855,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,2.227172895,7.587878314,1.075054375,15.14310722,2.161197965,1.445880449,2.385451062,4.049247806,5.483941572,1.583676672,0.922511641,2.541151232,1.938287479,2.265487935,0.781494528,0.044767616,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,6.73625619,7.588510546,4.360486649,37.16586536,11.27703275,8.922941456,10.03746684,19.24962838,13.34804357,7.961468136,8.114430664,9.744361849,7.674018597,8.946274671,4.11769161,0.409535031,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,3.49701269,6.3180699,1.498536459,19.7913239,3.548983654,2.836732872,3.587457636,6.570525772,7.185508188,2.724224,1.979943464,4.35432438,3.180488466,3.925919281,1.489472873,0.09780465,0.048527419,5.50E-20,1.20E-59,5.06E-121,4.11E-204,0.00E+00,0,0,0,0,0,0,0,0,7.147796621,1.062425332,0.9731367,0.778342314,0.11569028,0.532651572,0.482814882,0.458486945,9.183358653,15.58366849,32.15702743,0.667513471,1.4739534,6.219651609,0.561098745,0.487106314,0.855775216,0.077202781,0.403181504,0.134569045,0.114875335,7.267856668,6.792785024,15.76056416,0.783662824,0.652625885,6.600673364,0.766955895,0.686649265,0.819523852,0.095223414,0.454147224,0.251523164,0.228270185,8.054278524,10.12140256,21.65179173,0.729285779,0.933940573,7.126029175,1.050672694,0.961739636,0.779786047,0.114972853,0.529408396,0.472187856,0.44781053,9.138441504,15.35098255,31.69008822,0.66967907,1.449406781,6.76512559,0.855782216,0.77276575,0.805979116,0.101955623,0.477084247,0.31319804,0.289117915,8.393673556,11.67865071,24.54623162,0.708968673,1.079400202,7.215570128,1.099016109,1.008621289,0.773936449,0.117879614,0.542812905,0.516657939,0.492533226,9.323207526,16.31629649,33.63789889,0.660904674,1.55200407,7.14651738,1.05316891,0.965253725,0.779766956,0.114912799,0.532467002,0.47444468,0.451089008,9.164940016,15.44126766,31.87118011,0.669650434,1.45800069 +UMLMON0179,L,"2,2-Dimethylheptane",CCCCCC(C)(C)C,14062,,"Sandia, UML",[1],C9H20,PubChem,,60.5,0,1.4799,2.19010401,47.6934,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2005.6539,1927.005539,1398.377407,899.0389,368.373769,65.70144,3.048192,4670.34144,5841.481647,7855.078337,8160.663239,6925.542097,5153.07416,2933.54678,987.3701208,93.25123329,169.463656,175.052008,300.821808,362.461772,360.770236,335.75368,249.472612,142.684416,20.155392,34.11358067,43.47862034,61.52167806,66.52356413,59.82214137,47.44185294,29.72218556,12.01259662,1.333838715,3856.790689,3411.659229,6369.569539,7932.976182,8038.288948,7848.676506,6058.395404,3756.090275,554.7529561,48.05555556,58.52777778,85.83333333,97.83333333,93,80,55.5,25,3,60.70275442,67.17251842,47.75366429,37.78442233,27.41916484,18.72997708,10.23260469,3.12864,1.016064,194.59756,243.3950686,187.0256747,160.0130047,135.7949431,107.3557117,81.48741055,47.0176248,31.08374443,7.060985667,7.293833667,7.162424,7.107093569,7.073926196,6.994868333,6.929794778,6.794496,6.718464,1.421399194,1.811609181,1.464801859,1.30438361,1.172983164,0.988371936,0.825616265,0.572028411,0.444612905,160.6996121,142.1524679,151.6564176,155.5485526,157.6135088,163.5140939,168.2887612,178.8614417,184.917652,2.002314815,2.438657407,2.043650794,1.918300654,1.823529412,1.666666667,1.541666667,1.19047619,1,0.050443125,-7.69E-04,-0.011744223,-0.008864874,-0.015099094,3.25E-04,-0.002637454,0.009309062,0.00425944,706.2183858,-4.97E-14,15.13325112,-68.09963006,-350.5869844,-171.5101794,-80.71067267,239.6098095,63.05521302,1313.243245,2.42E-13,28.14092668,-126.6341701,-651.9314681,-318.9305024,-150.0849423,445.5646724,117.2538612,0.138343333,2.24E-15,0.0029645,-0.01334025,-0.068677583,-0.033597667,-0.015810667,0.046937917,0.012352083,5.870808328,1.35E-14,0.125803036,-0.56611366,-2.914436992,-1.425767737,-0.670949523,1.991881397,0.524179315,31.89032402,-1.08E-13,0.683364086,-3.075138387,-15.83126799,-7.744792975,-3.644608459,10.81993136,2.847350359,4.49537037,-0.300925926,0.621527778,-0.233217593,-2.147569444,-0.608796296,-1.083333333,1.142939815,0.361689815,0.002101797,-3.20E-05,-2.80E-04,-1.74E-04,-2.96E-04,6.76E-06,-7.33E-05,4.43E-04,0.001419813,29.42576608,-2.07E-15,0.360315503,-1.335286864,-6.874254596,-3.573128738,-2.24196313,11.40999093,21.01840434,54.71846854,1.01E-14,0.670022064,-2.483022942,-12.78296996,-6.644385466,-4.169026175,21.21736535,39.08462039,0.005764306,9.34E-17,7.06E-05,-2.62E-04,-0.001346619,-7.00E-04,-4.39E-04,0.002235139,0.004117361,0.244617014,5.62E-16,0.00299531,-0.011100268,-0.057145823,-0.029703495,-0.018637487,0.094851495,0.174726438,1.328763501,-4.51E-15,0.016270573,-0.060296831,-0.310417019,-0.161349854,-0.101239124,0.515234827,0.949116786,0.187307099,-0.01253858,0.01479828,-0.004572894,-0.042109205,-0.012683256,-0.030092593,0.054425705,0.120563272,-0.015247073,-0.13304062,-0.082701171,-0.140860741,0.003218388,-0.034857137,0.210909376,0.675523564,-7.04E-17,0.012244898,-0.045378151,-0.233613445,-0.121428571,-0.076190476,0.387755102,0.714285714,1.84E-16,0.012244898,-0.045378151,-0.233613445,-0.121428571,-0.076190476,0.387755102,0.714285714,1.62E-14,0.012244898,-0.045378151,-0.233613445,-0.121428571,-0.076190476,0.387755102,0.714285714,2.30E-15,0.012244898,-0.045378151,-0.233613445,-0.121428571,-0.076190476,0.387755102,0.714285714,-3.40E-15,0.012244898,-0.045378151,-0.233613445,-0.121428571,-0.076190476,0.387755102,0.714285714,-0.066941298,0.079005444,-0.024413885,-0.224813715,-0.067713697,-0.160659114,0.290569369,0.643666323,1.110559694,1.079046109,1.033609998,1.106873667,0.987633917,0.977801274,0.534577847,0.342851724,1.15,1.032653061,1.043697479,1.198319328,1.026785714,0.930952381,0.375510204,0,1.15,1.032653061,1.043697479,1.198319328,1.026785714,0.930952381,0.375510204,0,1.15,1.032653061,1.043697479,1.198319328,1.026785714,0.930952381,0.375510204,0,1.15,1.032653061,1.043697479,1.198319328,1.026785714,0.930952381,0.375510204,0,1.15,1.032653061,1.043697479,1.198319328,1.026785714,0.930952381,0.375510204,0,1.237641607,0.851037222,0.965590356,1.189919428,1.017057158,1.154737384,0.487273797,0,41.58133348,20.79066674,30.88396902,41.58133348,4.158133348,20.79066674,-3.55E-15,0.343210611,0.034321061,-1.069410993,50.67483704,5.067483704,3.925429477,41.58133348,20.79066674,30.88396902,41.58133348,4.158133348,20.79066674,-3.55E-15,0.343210611,0.034321061,-1.069410993,50.67483704,5.067483704,3.925429477,41.58133348,20.79066674,30.88396902,41.58133348,4.158133348,20.79066674,-3.55E-15,0.343210611,0.034321061,-1.069410993,50.67483704,5.067483704,3.925429477,41.58133348,20.79066674,30.88396902,41.58133348,4.158133348,20.79066674,-3.55E-15,0.343210611,0.034321061,-1.069410993,50.67483704,5.067483704,3.925429477,41.58133348,20.79066674,30.88396902,41.58133348,4.158133348,20.79066674,-3.55E-15,0.343210611,0.034321061,-1.069410993,50.67483704,5.067483704,3.925429477,41.58133348,20.79066674,30.88396902,41.58133348,4.158133348,20.79066674,-3.55E-15,0.343210611,0.034321061,-1.069410993,50.67483704,5.067483704,3.925429477,49.57322175,24.44753111,37.63931912,49.51544397,4.951544397,24.44753111,-0.144444444,0.464638481,0.046463848,-0.766495636,43.74522505,4.374522505,3.778382465,0,11.89,12.11015511,-0.153431537,0.066850032,5.365885795,9.07275657,10,24,21,18,4,3,0,0,0,6,15.304898,3.819135796,3.218956785,2.873216398,2.659253566,2.234883716,1.889669448,1.340185499,0.75850127,2.006267786,1.710601517,1.412034298,1.227263592,0.965568703,0.726507286,0.565128153,0.240139065,3.829980329,3.251854843,2.90459278,2.691703552,2.292558433,1.953149486,1.445821903,0.883777186,1.97443186,1.639705692,1.32781418,1.136417638,0.87290032,0.612049312,0.428152823,0.072631299,3.880091584,3.398190817,3.053912906,2.846072253,2.53167785,2.217278931,1.870238796,1.399057605,1.890643507,1.427541901,1.085638563,0.879151351,0.57626893,0.267126996,0.053223591,0.50844395,3.838088528,3.276213992,2.928356597,2.716225378,2.334353227,1.99914596,1.521627788,0.975638144,1.955124687,1.594151037,1.27433313,1.07898983,0.812166755,0.5389367,0.334430502,0.041057697,3.906201246,3.469773035,3.132187444,2.927963742,2.638638551,2.337477957,2.052299642,1.618810207,1.86698076,1.360959524,1.014474106,0.80514139,0.473546112,0.152706351,0.230817901,0.723384753,3.8581751,3.256562575,3.000596054,2.7686361,2.408075963,2.048039893,1.569203744,1.102522614,1.946184151,1.581274313,1.175416239,1.019577854,0.71243611,0.470254806,0.251444496,0.179263047,0,0,0,4,2,2,2,0,0,0,0,0,0.083333333,0.142258898,0,0,0,0.027777778,0.047419633,0.402368927,0,0.11785113,0,0.24639964,0,0.058925565,0,1.020220057,1.359475708,1.589255651,0.560810726,0.664090454,0.684878051,7.397341225,4.842535255,3.810495725,2.948584704,2.192705341,1.561834874,0.601007552,0.273353247,0.739734123,0.484253526,0.31754131,0.210613193,0.146180356,0.104122325,0.075125944,0.054670649,6.723614639,3.888010441,2.676484623,1.7805929,1.15992621,0.713920452,0.236452494,0.099253672,0.672361464,0.388801044,0.223040385,0.127185207,0.077328414,0.047594697,0.029556562,0.019850734,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.66712,44.077,43.99698258,63.66189698,87.99396516,8.799396516,43.99698258,0.07820127,0.007820127,-2.548469389,51.36653868,5.136653868,3.938986962,90,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,4,0,0,0,0,0,0,0,0,2,0,2,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.49111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.59038407,0,0.899893707,0,0,1.59038407,0,0,0,0,0,0,0,0,4.386342593,0,2.45587963,0,0,8.579675926,0,0,0,0,2.911435185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.420694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.25461593,0,0,0.380972222,0,0,0,0,0,0,0,0,2.17162037,0,1.214953704,0,0,2.091759259,0,0,0,0,1.420694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.207175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.412328515,0,0.359305556,0,0,0.412328515,0,0,0,0,0,0,0,0,2.214722222,0,1.240925926,0,0,2.207175926,0,0,0,0,1.490740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.33333333,1.833333333,0.412328515,2.214722222,0.116319444,1.214953704,6.22624412,0.285046296,0.214722222,1.932037037,0.285046296,0.214722222,1.932037037,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.78841,0.67884,11.53787,4.74946,0.47495,2.80382,0.28038,4.84252,2.0387,0.20387,0.07148,0.00715,0.15748,0.01575,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.450825795,3.522055209,3.772055209,3.938721876,4.022055209,23.51685016,58.81981907,84.52932501,90.52932501,94.52932501,96.52932501,0.213713581,0.534535625,0.768175358,0.822701431,0.859052146,0.877227504,3.605093744,2.134136706,1.062907292,0.812907292,0.646240625,0.562907292,0.206076118,0.515432972,0.740723142,0.793300621,0.828352274,0.845878101,6.772325919,18.88939319,22.71704875,23.88501959,24.96900501,25.05299043,37.92632204,25.4957267,19.21566459,17.3948625,15.88696771,15.67155417,8.1,4,2.285714286,3,6,3,2.56,1.28,0.2,3.783322213,1.807204007,0,6.631975708,6.447419591,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.894,12,14,15,15,8,5,3,1,0,93,2.63905733,3.113515309,3.576550269,3.986666548,4.376542876,3.876395828,3.523599363,3.168897455,2.151035195,0,5.775230663,3.453965054,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,0,3,6,1,1.5,1.111111111,0.5,0.342222222,0.090277778,0.04,0,0,0,0,0.15,0.092592593,0.045454545,0.048888889,0.022569444,0.04,0,0,0,0,0.399505471,25.05404507,36.52774608,50.10809014,5.010809014,25.05404507,0.163926116,0.016392612,-1.808339466,78.23766948,7.823766948,4.359751238,0,150.3504702,4.321928095,3.80666249,4.574710979,5.370638028,6.163314804,6.965080346,7.764296006,8.566935283,9.368113056,10.17080109,82.75055208,3.044522438,0,4.234106505,0,5.65248918,0,7.177018766,0,8.74687532,8.984818996,134.1095504,5.587897935,19.5566863,1.95566863,0,0,0,121,11,3.899,44,1.235929323,2.15592806,2.978978431,3.776351665,4.526701346,5.091413778,5.854687643,7.865256659,0,0,92.76161773,112.8305355,121.9935193,112.8730644,92.43717631,59.08207985,20.6553927,7.991604142,0,0,323.5789178,429.9196926,503.3917417,542.6483259,506.3503709,443.0336517,292.9090023,244.4816279,0,0,9.045833162,15.49612991,21.23150112,26.79414207,31.70393829,35.37931526,39.8638034,52.84244372,0,0,2.362509317,3.316419763,4.048091576,4.62145036,4.59398452,4.400338242,3.490070162,3.496994611,0,0,173.7497847,323.1334496,459.1018046,589.224458,737.3719024,849.3745013,1040.474906,1454.424794,0,0,3.104139972,4.555211549,5.882965407,7.120382494,7.699277022,8.113371755,7.180683815,7.865256659,0,0,0.486472119,0.690619145,0.849651637,0.979191323,0.984976337,0.956950737,0.781977088,0.805402282,0,0,288.736974,148.8811689,11.11913595,99.94381434,-51.53393311,-5.327924753,188.7931597,200.415102,16.4470607,0.742864023,0.383042263,0.028607372,0.257135977,-0.132586777,-0.013707713,112.2265147,57.86725011,4.321794527,38.84624055,-20.03024975,-2.070861993,0.12031327,0.126021042,2.930395144,1.093840944,388.6807883,0,1,0,729.0594248,27.00110044,9.00024454,865.5271791,29.41984329,9.530014688,1273.962702,35.69261411,10.84057299,1.601961449,1.601961449,699.4996104,559.6571406,187.4700188,1.24987168,3.731261217,2.985315435,4.429250776,4.443439901,7.963231373,0.792132121,4.231360714,4.770792545,3.931231765,13.62715464,4.656274719,6.718748045,6.371672204,11.42413787,6.718750154,2.976986439,4.997391003,2.07491926,1.732791107,1.271591476,1.718141754,4.99E-13,2.93E-47,3.44E-103,8.03E-181,3.70E-280,0,0,0,0,0,0,0,0,0,0,0.355218392,4.768841843,0.290316793,5.68381596,1.792421396,1.291054194,0.659700934,1.820761016,0.643802611,0.168186277,1.119355802,0.32148526,0.082699695,0.068488127,0.012101013,3.52E-15,2.06E-49,2.42E-105,5.65E-183,2.61E-282,0,0,0,0,0,0,0,0,0,0,1.146421676,4.768972648,0.962633172,6.542438476,2.00772927,2.009844408,1.781383476,3.445756274,1.392086082,0.555711701,1.757334407,0.602325408,0.308293652,0.246277366,0.126101884,3.67E-14,2.15E-48,2.52E-104,5.89E-182,2.72E-281,0,0,0,0,0,0,0,0,0,0,3.994066058,4.770578536,3.683265398,12.87102204,4.350317718,6.248811523,6.006334323,10.7176226,6.172883893,2.739300081,4.705637963,1.940309373,1.592426015,1.173956564,1.53083337,4.45E-13,2.61E-47,3.06E-103,7.15E-181,3.30E-280,0,0,0,0,0,0,0,0,0,0,1.689557927,4.76914183,1.44520065,7.358341757,2.26517399,2.61880849,2.564522881,4.660809822,2.051767854,0.87690676,2.240897021,0.817997969,0.4961818,0.3884523,0.273910142,7.96E-14,4.66E-48,5.48E-104,1.28E-181,5.91E-281,0,0,0,0,0,0,0,0,0,0,5.109956015,4.771692323,4.87780717,16.73316441,5.937420824,8.615010641,7.742129119,14.17471119,8.937368378,3.931667634,6.13932302,2.604277482,2.297176196,1.660319128,2.505748275,7.28E-13,4.27E-47,5.01E-103,1.17E-180,5.40E-280,0,0,0,0,0,0,0,0,0,0,2.351929816,4.17223684,1.982031101,8.037011295,2.339222792,3.149749966,3.60038266,6.125392983,2.893473407,1.255698939,3.021217193,1.190408907,0.788354275,0.608710575,0.511182671,1.49E-13,8.71E-48,1.02E-103,2.39E-181,1.10E-280,0,0,0,0,0,0,0,0,0,0,5.135780444,2.021819088,0.464666531,0.673786562,0.265251707,0.489277819,0.449268244,0.386340818,7.622266064,13.70951588,26.15670214,0.510679843,1.324886881,4.176456555,1.225645965,0.177713613,0.74849358,0.219657052,0.323943172,0.167393477,0.056664552,5.579816133,6.07888428,12.56839101,0.622740371,0.548001201,4.516170387,1.50938266,0.279698508,0.716255386,0.239385003,0.378453587,0.252766399,0.140225985,6.305251555,8.501967469,16.71382006,0.574383079,0.77144597,5.107387529,1.998471671,0.456217719,0.675394813,0.264275502,0.483873781,0.439157482,0.372449133,7.56207692,13.44878817,25.66746534,0.51309222,1.295480396,4.683754934,1.648604546,0.329853422,0.703032912,0.247455999,0.406965944,0.300829321,0.19493257,6.662212902,9.81041012,19.01963889,0.554549367,0.902727835,5.226527889,2.096358062,0.491653597,0.668820966,0.268263798,0.506761364,0.482274509,0.432409106,7.814539548,14.5569971,27.75842477,0.503231449,1.42144498,5.119292638,2.001994794,0.455436324,0.675660457,0.264229614,0.486121031,0.440867898,0.371236826,7.576723756,13.49209018,25.73648847,0.513490686,1.298225754 +UMLMON0180,L,1-methyl-2-n-propylbenzene,CCCC1=CC=CC=C1C,14091,,"Sandia, UML",[1],C10H14,PubChem,,92.2,0,1.4799,2.19010401,47.6934,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2005.6539,1805.93953,1331.831263,889.894324,489.439778,132.247584,12.192768,4670.34144,5841.481647,7855.078337,7935.535825,6423.624866,4873.320461,3158.674193,1489.287352,373.0049332,169.463656,175.052008,300.821808,362.438056,358.375228,275.287504,249.496328,145.079424,80.621568,34.11358067,43.47862034,61.52167806,65.51713985,55.80855294,43.4403368,30.72860984,16.02618505,5.335354858,3856.790689,3411.659229,6369.569539,7927.509269,8229.059574,6184.417637,6063.862316,3565.319649,2219.011824,48.05555556,58.41666667,86.44444444,99,87.66666667,70.16666667,54,31,12,60.70275442,67.17251842,47.75366429,35.41057902,26.11433849,22.81780318,13.59554939,6.297504,1.016064,194.59756,243.3950686,187.0256747,155.5987417,125.9534287,124.9569349,87.74094981,70.91844535,31.08374443,7.060985667,7.293833667,7.162424,7.106628549,7.026965255,7.058653949,6.930453556,6.908544,6.718464,1.421399194,1.811609181,1.464801859,1.284649801,1.094285352,1.11385479,0.853572496,0.763151669,0.444612905,160.6996121,142.1524679,151.6564176,155.4413582,161.3541093,158.5748112,168.4406199,169.7771262,184.917652,2.002314815,2.434027778,2.058201058,1.941176471,1.718954248,1.799145299,1.5,1.476190476,1,0.050409278,-3.78E-04,-0.009965724,-0.020913507,0.003068646,-0.010824436,0.008042247,-0.004252593,0.010018581,706.2183858,-4.97E-14,15.13325112,-189.1656391,-47.9219619,-360.6758185,40.35533633,-63.05521302,252.2208521,1313.243245,2.42E-13,28.14092668,-351.7615835,-89.11293449,-670.6920859,75.04247115,-117.2538612,469.0154447,0.138343333,2.24E-15,0.0029645,-0.03705625,-0.009387583,-0.070653917,0.007905333,-0.012352083,0.049408333,5.870808328,1.34E-14,0.125803036,-1.572537945,-0.398376279,-2.998305682,0.335474762,-0.524179315,2.09671726,31.89032402,-1.08E-13,0.683364086,-8.542051076,-2.163986273,-16.28684405,1.822304229,-2.847350359,11.38940143,4.49537037,-0.412037037,1.232638889,-1.76099537,-0.071180556,-2.527199074,0.784722222,-0.940393519,1.446759259,0.002100387,-1.57E-05,-2.37E-04,-4.10E-04,6.02E-05,-2.78E-04,2.23E-04,-2.03E-04,8.35E-04,29.42576608,-2.07E-15,0.360315503,-3.709130178,-0.939646312,-9.24809791,1.120981565,-3.002629191,21.01840434,54.71846854,1.01E-14,0.670022064,-6.897285951,-1.747312441,-17.19723297,2.084513087,-5.583517198,39.08462039,0.005764306,9.34E-17,7.06E-05,-7.27E-04,-1.84E-04,-0.001811639,2.20E-04,-5.88E-04,0.004117361,0.244617014,5.57E-16,0.00299531,-0.030834077,-0.0078113,-0.076879633,0.009318743,-0.02496092,0.174726438,1.328763501,-4.51E-15,0.016270573,-0.167491198,-0.042431103,-0.417611386,0.050619562,-0.135588112,0.949116786,0.187307099,-0.01716821,0.029348545,-0.034529321,-0.001395697,-0.064799976,0.02179784,-0.044780644,0.120563272,-0.007495694,-0.112969274,-0.195234904,0.028646882,-0.132142174,0.106359355,-0.096412923,0.397489558,-7.04E-17,0.012244898,-0.12605042,-0.031932773,-0.314285714,0.038095238,-0.102040816,0.714285714,1.84E-16,0.012244898,-0.12605042,-0.031932773,-0.314285714,0.038095238,-0.102040816,0.714285714,1.62E-14,0.012244898,-0.12605042,-0.031932773,-0.314285714,0.038095238,-0.102040816,0.714285714,2.28E-15,0.012244898,-0.12605042,-0.031932773,-0.314285714,0.038095238,-0.102040816,0.714285714,-3.40E-15,0.012244898,-0.12605042,-0.031932773,-0.314285714,0.038095238,-0.102040816,0.714285714,-0.091658084,0.156686774,-0.184346035,-0.007451384,-0.345955795,0.116374871,-0.239076063,0.643666323,1.102052993,1.067501458,1.172877071,1.00503373,1.159428199,0.802651878,0.878078252,0.090783787,1.15,1.032653061,1.121008403,0.966386555,1.263736264,0.821428571,0.93877551,0,1.15,1.032653061,1.121008403,0.966386555,1.263736264,0.821428571,0.93877551,0,1.15,1.032653061,1.121008403,0.966386555,1.263736264,0.821428571,0.93877551,0,1.15,1.032653061,1.121008403,0.966386555,1.263736264,0.821428571,0.93877551,0,1.15,1.032653061,1.121008403,0.966386555,1.263736264,0.821428571,0.93877551,0,1.261328527,0.776592614,1.216393045,0.901496335,1.361086905,0.734294542,1.218184493,0,42.49716564,21.24858282,31.97869994,42.49716564,4.249716564,21.24858282,1.78E-14,0.313642186,0.031364219,-1.159502477,64.28373734,6.428373734,4.163306681,42.49716564,21.24858282,31.97869994,42.49716564,4.249716564,21.24858282,1.78E-14,0.313642186,0.031364219,-1.159502477,64.28373734,6.428373734,4.163306681,42.49716564,21.24858282,31.97869994,42.49716564,4.249716564,21.24858282,1.78E-14,0.313642186,0.031364219,-1.159502477,64.28373734,6.428373734,4.163306681,42.49716564,21.24858282,31.97869994,42.49716564,4.249716564,21.24858282,1.78E-14,0.313642186,0.031364219,-1.159502477,64.28373734,6.428373734,4.163306681,42.49716564,21.24858282,31.97869994,42.49716564,4.249716564,21.24858282,1.78E-14,0.313642186,0.031364219,-1.159502477,64.28373734,6.428373734,4.163306681,42.49716564,21.24858282,31.97869994,42.49716564,4.249716564,21.24858282,1.78E-14,0.313642186,0.031364219,-1.159502477,64.28373734,6.428373734,4.163306681,49.50098803,24.57234549,38.10214282,49.41432136,4.941432136,24.57234549,-0.144444444,0.453533467,0.045353347,-0.790686214,45.49125606,4.549125606,3.817520133,0,11.89,12.11015511,-0.155069713,0.065325025,5.326588782,8.758382099,10,24,21,18,4,3,0,0,0,6,15.304898,3.814766835,3.242334367,2.859922939,2.657092701,2.115275973,2.025460251,1.358286674,0.857818992,2.004274413,1.721102684,1.407326514,1.21059506,0.908357655,0.801969161,0.614315438,0.273185193,3.825848498,3.273766864,2.892461142,2.688875318,2.17812496,2.085055627,1.464356041,0.975480083,1.972238224,1.651158414,1.322784657,1.121493865,0.809194317,0.699835244,0.468185024,0.109557299,3.876865854,3.414866218,3.045795676,2.839198792,2.438749282,2.333788795,1.892593939,1.459575848,1.887572754,1.443384161,1.07810951,0.871291461,0.487371345,0.380698576,0.029629251,0.452146252,3.834123885,3.297114901,2.917023111,2.712843487,2.223663621,2.128304409,1.540569529,1.060893055,1.952777988,1.606336218,1.268986377,1.065411919,0.743750697,0.63345123,0.36959266,0.001136236,3.903338781,3.48452479,3.125388314,2.918630781,2.555350394,2.446732324,2.078035059,1.669891306,1.863546069,1.378787887,1.005510081,0.79945011,0.375364562,0.272950348,0.209778263,0.656663852,3.858051735,3.269802709,2.98306771,2.768626534,2.302175771,2.191847822,1.585464726,1.18481183,1.936701926,1.600592235,1.185238105,0.992601746,0.654887141,0.541300548,0.288382626,0.137566034,0,0,0,4,2,2,2,0,0,0,0,0,0.083333333,0.142258898,0,0,0,0.027777778,0.047419633,0.49279928,0,0,0,0.284517797,0,0,0,0.777317077,1.214203801,1.302192015,0.389858658,0.550069345,0.516687165,7.397341225,4.825698503,3.926478174,2.741921546,2.230162819,1.467804161,0.788948797,0.260110029,0.739734123,0.48256985,0.327206515,0.210917042,0.148677521,0.097853611,0.07889488,0.052022006,6.723614639,3.882027377,2.739052883,1.621159417,1.15632585,0.648383183,0.338920452,0.099946561,0.672361464,0.388202738,0.228254407,0.124704571,0.07708839,0.043225546,0.033892045,0.019989312,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.66712,44.077,43.41608314,61.65545589,86.83216628,8.683216628,43.41608314,0.08055398,0.008055398,-2.518827754,51.73092445,5.173092445,3.946055754,92,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,4,0,0,0,0,0,0,0,0,2,0,2,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.53509259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.557397959,0,0.899893707,0,0,1.557397959,0,0,0,0,0,0,0,0,4.348703704,0,2.449537037,0,0,8.707824074,0,0,0,0,2.827268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.36662037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368819444,0,0.25461593,0,0,0.368819444,0,0,0,0,0,0,0,0,2.138055556,0,1.21,0,0,2.125324074,0,0,0,0,1.36662037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.253472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401805556,0,0.359305556,0,0,0.401805556,0,0,0,0,0,0,0,0,2.210648148,0,1.239537037,0,0,2.253472222,0,0,0,0,1.460648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.33333333,1.833333333,0.401805556,2.253472222,0.128472222,1.21,6.228409954,0.300046296,0.253472222,2.113055556,0.300046296,0.253472222,2.113055556,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.67225,0.66722,11.45289,4.78064,0.47806,2.8029,0.28029,4.82569,2.02278,0.20228,0.08831,0.00883,0.17431,0.01743,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.450825795,3.605388542,3.938721876,3.938721876,3.819773835,23.51685016,58.81981907,86.52932501,94.52932501,94.52932501,91.67457204,0.213713581,0.534535625,0.786350715,0.859052146,0.859052146,0.833109068,3.605093744,2.134136706,0.979573959,0.646240625,0.646240625,0.765188666,0.206076118,0.515432972,0.758248968,0.828352274,0.828352274,0.803336321,6.772325919,18.88939319,23.71704875,24.96900501,24.05299043,24.8491262,37.92632204,25.4957267,17.92318334,15.88696771,16.96403542,16.30638792,8.1,4,2.650887574,3,6,3,2.56,1.28,0.166666667,3.820639317,1.54438958,0,6.631975708,6.83080311,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.894,12,13,15,15,10,5,3,0,0,93,2.63905733,3.113515309,3.533686565,4.000491653,4.385925275,4.017508513,3.446011397,3.056356895,0,0,5.758507374,3.396505376,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,0,3,6,1,2,0.666666667,0.5,0.342222222,0.145833333,0.04,0,0,0,0,0.2,0.055555556,0.05,0.048888889,0.036458333,0.02,0,0,0,0,0.410902778,25.67725691,38.24716212,51.35451383,5.135451383,25.67725691,0.148319865,0.014831986,-1.90838409,72.98542395,7.298542395,4.290259749,0,150.3504702,4.321928095,3.80666249,4.553876892,5.351858133,6.120297419,6.926577033,7.700295203,8.508555998,9.283683766,10.09249504,82.34430198,3.044522438,0,4.234106505,0,5.631211782,0,7.126890809,0,8.667507952,8.913415718,134.1095504,5.587897935,19.55769021,1.955769021,0,0,0,124,10,3.899,44,1.235929323,2.155869164,2.983866796,3.763475769,4.816253605,5.635897009,6.455496352,7.474539625,0,0,92.76161773,113.0710352,115.1278472,113.0020691,119.7737729,84.27610833,43.43898196,7.59461063,0,0,323.5789178,430.4765204,490.6137046,519.4153439,631.421459,518.9299251,478.8228611,232.3366794,0,0,9.045833162,15.49648256,21.26202916,26.56218394,34.06893401,39.12506725,44.69833009,50.21742539,0,0,2.362509317,3.319412036,3.991742478,4.405562361,5.549473217,4.967598417,5.094522357,3.323276775,0,0,173.7497847,323.0763772,459.7742719,598.6848028,758.4284593,944.4331279,1088.010401,1382.174317,0,0,3.095675909,4.599593519,5.945328211,6.768949642,8.860490868,8.647323656,9.780688373,7.474539625,0,0,0.486472119,0.691193636,0.839364596,0.933873356,1.181863742,1.075515097,1.118589249,0.765392858,0,0,302.1429353,155.9370964,10.94467685,97.86820334,-50.51014497,-5.116722806,204.2747319,206.4472414,16.06139966,0.755336305,0.389831886,0.02736093,0.244663695,-0.126271846,-0.012791451,120.8605396,62.3765755,4.37799265,39.14837145,-20.2046206,-2.046746115,0.120694452,0.125905343,1.420444519,1.116594015,400.0111386,0,1,0,729.0594248,27.00110044,9.00024454,865.5271791,29.41984329,9.530014688,1245.533283,35.29211361,10.75932714,1.821609901,1.610641275,794.7693573,645.2088844,193.8565622,1.231801633,4.09978052,3.328279823,4.65901067,4.443439901,8.324686172,0.873477837,4.231360714,4.769035699,4.160500844,12.80965691,3.808036431,6.378000755,4.975544786,7.32883931,7.34905309,3.616833884,6.859663562,3.474849136,4.039507719,1.838632156,2.511069357,0.04625925,1.56E-20,1.02E-60,1.28E-122,3.11E-206,1.452891844506E-311,0,0,0,0,0,0,0,0,0,0.355218392,4.768829469,0.319009219,5.750554117,0.962040816,1.266083907,0.510738791,1.558253963,0.798615174,0.312287553,1.134441407,0.499675227,0.164550812,0.112001209,0.01768574,3.26E-04,1.10E-22,7.18E-63,9.02E-125,2.19E-208,1.0232836057E-313,0,0,0,0,0,0,0,0,0,1.146421676,4.768843705,1.04902799,6.476016945,1.247219829,1.791983338,1.418773838,2.545344709,1.660361564,0.957278992,1.899074617,0.902324822,0.646141263,0.389427844,0.184298472,0.003395167,1.15E-21,7.48E-62,9.40E-124,2.28E-207,1.06634041272E-312,0,0,0,0,0,0,0,0,0,3.994066058,4.769013218,3.906184599,12.12440099,3.52918029,5.881960193,4.701035565,6.908066396,6.779881264,3.404082743,6.366245381,3.220313853,3.69284047,1.706391029,2.237317639,0.041216159,1.39E-20,9.08E-61,1.14E-122,2.77E-206,1.2945004762545E-311,0,0,0,0,0,0,0,0,0,1.689557927,4.76886175,1.566229835,7.18645651,1.53080039,2.306668648,2.0430993,3.279606628,2.393061029,1.408815517,2.543929294,1.239495026,1.068596623,0.602146201,0.400320728,0.007374757,2.49E-21,1.62E-61,2.04E-123,4.95E-207,2.316233867897E-312,0,0,0,0,0,0,0,0,0,5.109956015,4.769130128,5.123854731,15.63423025,4.959310547,8.422503667,5.993265266,8.96341526,9.647371764,4.416419863,8.848848675,4.499480386,5.44732727,2.358393451,3.662158425,0.067464768,2.28E-20,1.49E-60,1.87E-122,4.53E-206,2.118906210151E-311,0,0,0,0,0,0,0,0,0,2.351936401,4.100009656,2.11112007,8.037361666,1.773666642,2.959801367,2.662393095,4.105597851,3.106323847,1.850810644,3.426158918,1.809702809,1.728529764,0.930354332,0.747095298,0.013763083,4.65E-21,3.03E-61,3.81E-123,9.24E-207,4.32265342167E-312,0,0,0,0,0,0,0,0,0,6.363622297,2.028648788,0.444954777,0.720092753,0.229557196,0.57154898,0.427557773,0.339544547,8.837225863,16.64373577,31.22512965,0.580139129,1.3386513,4.735227222,1.305925071,0.165660148,0.762908057,0.21040189,0.317621759,0.175595379,0.046784403,6.206812441,7.18463013,14.4158604,0.644362086,0.540001541,5.310073826,1.565997711,0.265008639,0.743595324,0.219294235,0.398403895,0.254492535,0.120069438,7.141080176,10.13778182,19.48255815,0.615392986,0.772965868,6.315252395,2.007716932,0.436740642,0.720943093,0.229199019,0.562885633,0.418857067,0.327090888,8.759709968,16.31421813,30.61146715,0.581414639,1.308833588,5.5945177,1.692454424,0.313828462,0.736043215,0.222667916,0.441943199,0.297729993,0.168561478,7.600800586,11.75532548,22.32760026,0.604064823,0.90823467,6.518259375,2.095400665,0.471189398,0.717486781,0.230647814,0.599707525,0.455842577,0.380878913,9.084849438,17.71703031,33.23755655,0.576230171,1.436429015,6.321961652,2.012337079,0.435982605,0.720839094,0.229449547,0.564082533,0.420800046,0.326023315,8.770281336,16.35552712,30.67234333,0.581258641,1.310905894 +UMLMON0181,L,1-methyl-3-n-propylbenzene,CCCC1=CC=CC(=C1)C,14092,Sandia values from independent api report ,Sandia,,C10H14,PubChem,,100,0,1.3695,1.87553025,43.3169,28.268688,0,0,26,10,16,0,10,0,0,0,0,0,0,0,0,0,1458.898234,1780.618739,2633.170864,2478.841525,1314.824957,317.073456,26.417664,0,0,4732.508928,6494.471781,10070.2599,11438.65137,8514.483661,3820.124465,808.1773552,0,0,182.900584,196.827788,372.891328,513.975316,606.978356,419.007168,174.680064,0,0,35.00280648,48.49460896,78.02068111,95.26550024,81.17360283,42.50680951,11.55993553,0,0,4226.625993,3844.69868,7859.072458,11000.50799,14334.64445,10548.68937,4807.858953,0,0,47.64583333,55.97222222,88.86111111,129.0972222,136.8333333,86.66666667,26,0,0,56.11147054,65.94884219,50.63790123,34.42835451,15.11293054,5.197925508,1.016064,0,0,182.0195742,240.5359919,193.6588442,158.8701579,97.86762829,62.62499123,31.08374443,0,0,7.034637846,7.289918074,7.170987077,7.138546056,6.976762713,6.868969967,6.718464,0,0,1.346261788,1.796096628,1.500397714,1.323131948,0.933029918,0.696832943,0.444612905,0,0,162.5625382,142.3962474,151.1360088,152.7848332,164.7660281,172.929334,184.917652,0,0,1.832532051,2.073045267,1.708867521,1.793016975,1.572796935,1.420765027,1,0,0,0.045202577,-0.007299809,0.003546735,-0.015517285,-0.017691785,-0.012756663,0.027117519,0,0,745.0215938,45.8474827,167.6298586,-628.9701533,-444.1474886,21.49100751,465.6384962,0,0,1385.399467,85.25535183,311.7148801,-1169.596858,-825.9112209,39.96344617,865.8746671,0,0,0.145944615,0.008981207,0.032837538,-0.123210935,-0.087005444,0.004209941,0.091215385,0,0,6.193380214,0.38113109,1.393510548,-5.228642143,-3.692207436,0.178655198,3.870862634,0,0,33.64253962,2.070310131,7.569571415,-28.4020671,-20.05612939,0.970457874,21.02658726,0,0,5.549412393,-1.68299022,1.169070513,-1.816855687,0.091335881,-2.465020957,1.929754274,0,0,0.001738561,-2.70E-04,6.82E-05,-2.16E-04,-2.03E-04,-2.09E-04,0.001042981,0,0,28.65467669,1.698054915,3.223651127,-8.735696573,-5.105143548,0.352311599,17.90917293,0,0,53.2845949,3.157605624,5.994516926,-16.24440081,-9.493232424,0.655138462,33.30287181,0,0,0.005613254,3.33E-04,6.31E-04,-0.001711263,-0.001000063,6.90E-05,0.003508284,0,0,0.238206931,0.014115966,0.02679828,-0.07262003,-0.042439166,0.002928774,0.148879332,0,0,1.293943832,0.076678153,0.145568681,-0.394473154,-0.230530223,0.015909145,0.808714895,0,0,0.213438938,-0.062332971,0.022482125,-0.025234107,0.001049838,-0.04041018,0.074221318,0,0,-0.15550985,0.039231553,-0.123963375,-0.116966783,-0.120286643,0.599910906,0,0,0.059259259,0.1125,-0.304861111,-0.17816092,0.012295082,0.625,0,0,0.059259259,0.1125,-0.304861111,-0.17816092,0.012295082,0.625,0,0,0.059259259,0.1125,-0.304861111,-0.17816092,0.012295082,0.625,0,0,0.059259259,0.1125,-0.304861111,-0.17816092,0.012295082,0.625,0,0,0.059259259,0.1125,-0.304861111,-0.17816092,0.012295082,0.625,0,0,-0.292041235,0.10533282,-0.118226351,0.004918679,-0.189328995,0.34774029,0,0,1.351453543,0.869884799,1.130703043,1.09055411,1.041687169,0.132500033,0,0,1.203703704,1.015625,1.382378472,1.073994253,0.765881148,0,0,0,1.203703704,1.015625,1.382378472,1.073994253,0.765881148,0,0,0,1.203703704,1.015625,1.382378472,1.073994253,0.765881148,0,0,0,1.203703704,1.015625,1.382378472,1.073994253,0.765881148,0,0,0,1.203703704,1.015625,1.382378472,1.073994253,0.765881148,0,0,0,1.573499186,0.535147038,1.164916601,0.986723272,1.392933706,0,0,0,40.88795188,19.88347645,27.62711587,40.88795188,4.088795188,19.88347646,-7.11E-15,0.025365077,0.002536508,-3.674381957,158.4165045,15.84165045,5.065227669,40.88795188,19.88347645,27.62711587,40.88795188,4.088795188,19.88347646,-7.11E-15,0.025365077,0.002536508,-3.674381957,158.4165045,15.84165045,5.065227669,40.88795188,19.88347645,27.62711587,40.88795188,4.088795188,19.88347646,-7.11E-15,0.025365077,0.002536508,-3.674381957,158.4165045,15.84165045,5.065227669,40.88795188,19.88347645,27.62711587,40.88795188,4.088795188,19.88347646,-7.11E-15,0.025365077,0.002536508,-3.674381957,158.4165045,15.84165045,5.065227669,40.88795188,19.88347645,27.62711587,40.88795188,4.088795188,19.88347646,-7.11E-15,0.025365077,0.002536508,-3.674381957,158.4165045,15.84165045,5.065227669,40.88795188,19.88347645,27.62711587,40.88795188,4.088795188,19.88347646,-7.11E-15,0.025365077,0.002536508,-3.674381957,158.4165045,15.84165045,5.065227669,59.3372891,27.69466822,39.47161851,59.07784466,5.907784466,27.69466822,-0.648611111,0.081284784,0.008128478,-2.509796442,79.84827032,7.984827032,4.380128213,0,11.9,12.10017173,-0.129562635,0.072551886,6.440054204,9.812010106,11,27,26,26,10,1,1,0,0,1,17.491312,3.888198681,3.171405933,2.816229375,2.607985764,2.333552793,1.888076085,1.456637094,1.188528092,2.122359773,1.606522506,1.351545987,1.285360496,1.249629723,0.810443177,0.56697733,0.444919545,3.902897642,3.197031354,2.851626796,2.655883624,2.405454588,1.952895393,1.543726574,1.291733304,2.085478294,1.537069639,1.272965803,1.192962473,1.134540686,0.686875279,0.430016902,0.295560373,3.969059753,3.316995691,3.009510993,2.86491865,2.704236987,2.239619494,1.90897946,1.714805433,1.982613349,1.342282775,1.04129169,0.905941121,0.76031856,0.296059273,0.022475196,0.207442483,3.913800811,3.216311771,2.877855352,2.691159201,2.457539916,2.000951171,1.607146834,1.366321189,2.062524406,1.493537305,1.222847565,1.132709149,1.058262671,0.605648329,0.338637319,0.195238561,4.002352879,3.379392349,3.087107237,2.964400111,2.838982085,2.376338979,2.07342931,1.900581295,1.952034235,1.285515688,0.969260316,0.812427586,0.631337262,0.167362171,0.180254075,0.387145339,3.873151655,3.398506981,2.970412149,2.690979452,2.634654398,2.111823986,1.640665901,1.415179689,2.141314748,1.418422308,1.086602869,1.07810206,0.878556837,0.433128679,0.253355672,0.100946856,0,0,1,0,1,2,3,2,1,0,0.11785113,0.387076975,0.759946456,1.178528219,0,0.11785113,0.377961159,0.686886724,0.959200637,1.40857456,0.166666667,0.648271461,0.151374715,1.30142081,0.166666667,0.581948473,0.142258898,3.260153798,4.31544863,4.893089478,2.930493096,3.583407348,3.764093265,7.353371151,4.621027034,4.915120116,4.203665235,3.059150443,2.048616017,1.145707649,0.340206909,0.735337115,0.420093367,0.273062229,0.168146609,0.109255373,0.068287201,0.05207762,0.034020691,6.983127663,4.297877056,4.503502173,3.777239609,2.61466402,1.685056171,0.87228213,0.277368927,0.698312766,0.390716096,0.250194565,0.151089584,0.093380858,0.056168539,0.039649188,0.027736893,14.33462243,25.10269483,23.80392157,24.08,16.38843593,197.7114299,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,2.92489,43.482,47.52016661,65.02412399,95.04033322,9.504033322,47.52016661,0.004736954,4.74E-04,-5.352360875,61.98482058,6.198482058,4.126889526,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,7,2,0,1,0,0,0,0,0,0,0,0,2,1,3,0,0,0,2,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.649560185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.317569444,0,0,0,1.744236111,0.580555556,0,0.317569444,0,0,0,0,0,0,0,0,4.797962963,4.128726852,4.145763889,0,0,0,1.883564815,0,0,1.520833333,0,0,0.606481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.520833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.317569444,0,0,0,0.225625,0.290277778,0,0.317569444,0,0,0,0,0,0,0,0,2.398981481,4.128726852,1.304328704,0,0,0,0.866898148,0,0,1.520833333,0,0,0.606481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.128726852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.317569444,0,0,0,0.290277778,0.290277778,0,0.317569444,0,0,0,0,0,0,0,0,2.398981481,4.128726852,1.436342593,0,0,0,1.016666667,0,0,1.520833333,0,0,0.606481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.08333333,1.708333333,0.317569444,4.128726852,-0.005208333,0.606481481,6.118578843,0.643518519,1.128726852,3.85337963,0.643518519,1.128726852,3.85337963,5,0.5,0,0,0.45385,0.7,0.44286,0.44286,0.7,0.01099,0.01099,0,0,0.71429,0,0,0.3,0.3,0.1,6.5,0.65,5.5,0.55,1,0.1,-4.5,-0.45,0,0,10.60825,1.06083,12.14436,1.5361,0.15361,4.13471,0.41347,4.62101,0.4863,0.04863,0.29299,0.0293,0.37899,0.0379,0.269230769,31,0,0,0,0,0,0,0.8,0.961236605,2.419556299,3.565448372,3.719294526,3.719294526,3.642371449,24.99215172,62.90846376,92.70165767,96.70165767,96.70165767,94.70165767,0.204499294,0.514751054,0.75853507,0.791265232,0.791265232,0.774900151,3.739203113,2.28088342,1.134991346,0.981145192,0.981145192,1.058068269,0.199951246,0.50330303,0.741665309,0.773667554,0.773667554,0.757666431,6.796774065,20.61971472,22.62012536,22.77517536,22.77517536,21.85209844,38.70844392,20.64166597,18.18462585,17.66141363,17.66141363,18.90777043,6.694214876,1.777777778,0.7168,0,2,0,2.56,1.2574,0.944940787,2.94389819,4.112265279,2.080083823,1.650963624,5.853800636,1.310370697,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0.003,0.163,0.175,0.286,0.54,4.478,18,25,28,30,22,10,2,0,0,156,2.564949357,3.044522438,3.36729583,3.526360525,3.610917913,3.433987204,2.564949357,1.609437912,0,0,5.225746674,1.185897436,0.25,1,0,1,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,3,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.181818182,0,3,4,0.333333333,3.5,2.222222222,1.75,0.444444444,0,0,0,0,0,0,0.318181818,0.138888889,0.134615385,0.088888889,0,0,0,0,0,0,0.680574981,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,0,154.1669289,4.321928095,4.077537444,4.976733742,5.92157842,6.844815479,7.791109511,8.718500048,9.665293813,10.593555,11.5405309,91.12965436,3.135494216,0,4.634728988,0,6.385194399,0,8.219056661,0,10.08008442,10.25058175,136.1252005,5.235584635,19.92298566,1.992298566,0,0,0,102,13,4.222,58,1.264016187,2.185006382,2.992985573,3.602340471,4.197093939,4.840823288,0,0,0,0,95.30475175,120.9540957,106.530623,57.36225388,22.59575571,4.918586273,0,0,0,0,331.948938,451.1403146,486.1284799,362.2448691,268.7228258,150.4709139,0,0,0,0,9.252794688,15.72624326,21.39237564,25.16009076,28.85776923,32.52289699,0,0,0,0,2.421713796,3.444815873,4.027058839,3.424365624,2.971691664,2.152292504,0,0,0,0,177.6116207,326.177947,455.3147933,591.491418,723.5658219,895.1536762,0,0,0,0,2.650678783,3.867129783,5.456743441,5.777976313,6.037576353,4.840823288,0,0,0,0,0.498589105,0.716038848,0.84866296,0.738838396,0.65720764,0.495700305,0,0,0,0,325.8798931,157.9906053,10.56939806,75.16227699,-36.43960212,-4.469708355,250.7176161,194.4302075,15.03910641,0.81258261,0.393950106,0.02635483,0.18741739,-0.09086227,-0.011145233,130.6915795,63.36089521,4.238774332,30.14324267,-14.61381711,-1.792541538,0.110246903,0.204545581,3.297375637,3.885340332,401.04217,0,1,0,721.9453912,26.8690415,8.970874535,877.3625931,29.62030711,9.573256707,1378.175469,37.12378575,11.12845409,1.173444072,1.173030058,415.2081053,361.2036539,242.4498459,1.149512473,1.712552564,1.489807727,3.910724996,3.656310633,6.387730674,0.747042666,4.625741201,8.933405245,6.859290288,24.72950424,12.13530283,16.37056508,16.35546422,11.54317222,6.614962842,4.202112817,1.584851724,0.283529216,5.24E-17,1.87E-54,1.29E-113,1.70E-194,4.36E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,0.388216818,8.039395789,1.764081032,8.957108964,1.672581651,2.200128388,1.699501749,1.260775907,0.131686993,0.150369211,0.011162606,0.001996919,3.69E-19,1.32E-56,9.05E-116,1.20E-196,3.07E-299,0,0,0,0,0,0,0,0,0,0,0,0,0,1.253185342,8.099135775,2.553498327,11.28192099,3.134055821,4.424759157,3.527852804,2.65310663,0.704088351,0.618701495,0.11632009,0.02080944,3.85E-18,1.37E-55,9.43E-115,1.25E-195,3.20E-298,0,0,0,0,0,0,0,0,0,0,0,0,0,4.366322802,8.835251016,6.458702922,23.44742486,11.25627635,15.26679525,15.04671974,10.66374594,5.952391806,3.827166505,1.412074606,0.252619427,4.67E-17,1.67E-54,1.15E-113,1.52E-194,3.89E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,1.846959279,8.176591351,3.169823868,13.14347763,4.337493072,6.150199144,5.128349512,3.818680092,1.320003505,1.046706824,0.252661879,0.045200885,8.36E-18,2.98E-55,2.05E-114,2.72E-195,6.95E-298,0,0,0,0,0,0,0,0,0,0,0,0,0,5.586250983,9.346130429,8.443154389,29.83583439,15.66074809,20.72559007,21.66840256,15.08308607,9.369812964,5.734457339,2.311356099,0.413500715,7.64E-17,2.73E-54,1.87E-113,2.49E-194,6.36E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,3.0030338,6.263551539,3.390867659,15.87054216,5.755120402,8.874552428,8.761098417,5.933466699,2.922152719,2.263479992,0.543056119,0.097152188,1.80E-17,6.40E-55,4.40E-114,5.84E-195,1.49E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,2.786428671,1.7330151,1.222243897,0.485297848,0.301830263,0.454750422,0.540554956,0.494316702,5.741687668,10.35278553,21.99659482,0.227946772,1.489622079,1.967446469,1.089583593,0.696230157,0.524196659,0.290303238,0.228614515,0.218116742,0.149539034,3.753260219,4.272093913,9.517860906,0.286294989,0.596270291,2.267096433,1.327313776,0.895032029,0.504983985,0.295652267,0.301636854,0.320718248,0.255395328,4.489442238,6.226260591,13.40898696,0.257475978,0.877750429,2.763418049,1.715143723,1.208121584,0.485945476,0.301607038,0.447244114,0.52964864,0.482421422,5.686683356,10.15030626,21.5630741,0.228918214,1.459314176,2.4110965,1.440409098,0.987710621,0.498241118,0.297653387,0.340690202,0.376235816,0.315062349,4.839216219,7.277138321,15.54663929,0.247361677,1.031988367,2.859467401,1.789696237,1.266873133,0.483341722,0.302516077,0.479022875,0.575904735,0.532795671,5.916036771,11.00747855,23.40683745,0.225012583,1.587723281,2.781477113,1.723479302,1.209281578,0.48676256,0.301611397,0.45279943,0.537926818,0.482354338,5.714237992,10.24157903,21.7528931,0.23014384,1.473080587 +UMLMON0182,L,beta-pinene,CC1(C2CCC(=C)C1C2)C,14896,,UML,[1],C10H16,PubChem,,60.3,0,-0.7418,0.55026724,35.0592,29.602274,0,0,28,10,18,0,10,0,0,0,0,0,0,0,0,0,1460.930362,1804.832915,2487.89555,1768.783304,1533.753992,988.868836,226.227456,16.257024,0,4794.676417,6723.945014,10537.898,9921.256366,7844.11025,6111.649197,2830.465684,497.3399109,0,196.337512,211.063052,429.784952,623.679776,528.356384,419.169424,328.87296,107.495424,0,35.89203229,50.72169758,84.91618702,90.43355274,71.27495687,57.45972764,32.04432192,7.113806478,0,4596.461297,4150.943776,9073.119015,14466.51966,12698.49227,9845.1226,8367.325628,2958.682432,0,39.55555556,49.94444444,92.83333333,119.3333333,98.66666667,81,56,16,0,52.17608436,62.23561776,41.46492583,19.87396971,20.18097358,16.48114727,4.713072,1.016064,0,171.2384435,231.8601729,175.6316334,111.4747906,103.211977,101.86082,58.96803508,31.08374443,0,7.012054,7.278036276,7.163082533,7.007637933,6.952057684,6.986157067,6.85152,6.718464,0,1.281858296,1.749024054,1.415269784,1.016107334,0.93782838,0.957662127,0.66759004,0.444612905,0,164.159332,143.1359923,151.2186502,162.5451647,167.0854245,164.0853767,174.3192839,184.917652,0,1.412698413,1.722222222,1.547222222,1.34082397,1.298245614,1.35,1.166666667,1,0,0.036870922,9.44E-04,-0.012645419,-0.018677289,0.015109591,-0.014642116,3.20E-04,0.011156165,0,778.2814864,50.03238127,-232.2490785,-424.3487152,239.6612831,-318.7247992,49.41469755,247.0734878,0,1447.247658,93.03734943,-431.8770788,-789.0945563,445.6603899,-592.6823742,91.88874018,459.4437009,0,0.15246,0.009801,-0.045496,-0.083127,0.046948,-0.062436,0.00968,0.0484,0,6.469870403,0.41592024,-1.930691485,-3.527619815,1.992309299,-2.649565974,0.410785422,2.053927112,0,35.14443871,2.259285346,-10.48754679,-19.16208682,10.82225573,-14.39248442,2.231392934,11.15696467,0,1.444444444,-0.027777778,-0.5,-0.638888889,0.666666667,-0.666666667,-2.13E-15,0.444444444,0,0.001316819,3.25E-05,-2.11E-04,-2.10E-04,1.99E-04,-2.44E-04,6.66E-06,6.97E-04,0,27.79576737,1.725254527,-3.870817975,-4.767963092,3.153437936,-5.312079987,1.029472866,15.44209298,0,51.68741635,3.208184463,-7.197951314,-8.86623097,5.863952498,-9.878039569,1.914348754,28.71523131,0,0.005445,3.38E-04,-7.58E-04,-9.34E-04,6.18E-04,-0.0010406,2.02E-04,0.003025,0,0.2310668,0.014342077,-0.032178191,-0.039636178,0.026214596,-0.044159433,0.00855803,0.128370444,0,1.255158525,0.077906391,-0.174792447,-0.215304346,0.142398102,-0.23987474,0.046487353,0.697310292,0,0.051587302,-9.58E-04,-0.008333333,-0.007178527,0.00877193,-0.011111111,-4.44E-17,0.027777778,0,0.024716904,-0.160050119,-0.159366803,0.150977824,-0.185321857,0.005058341,0.529503674,0,0.062068966,-0.139259259,-0.171535581,0.113450292,-0.191111111,0.037037037,0.555555556,0,0.062068966,-0.139259259,-0.171535581,0.113450292,-0.191111111,0.037037037,0.555555556,0,0.062068966,-0.139259259,-0.171535581,0.113450292,-0.191111111,0.037037037,0.555555556,0,0.062068966,-0.139259259,-0.171535581,0.113450292,-0.191111111,0.037037037,0.555555556,0,0.062068966,-0.139259259,-0.171535581,0.113450292,-0.191111111,0.037037037,0.555555556,0,-0.018567639,-0.161538462,-0.139152982,0.170040486,-0.215384615,-8.60E-16,0.538461538,0,1.342958085,1.317299795,1.08305918,0.741630902,1.179020205,0.760808334,0,0,1.303448276,1.33,1.13258427,0.773684211,1.12,0.7,0,0,1.303448276,1.33,1.13258427,0.773684211,1.12,0.7,0,0,1.303448276,1.33,1.13258427,0.773684211,1.12,0.7,0,0,1.303448276,1.33,1.13258427,0.773684211,1.12,0.7,0,0,1.303448276,1.33,1.13258427,0.773684211,1.12,0.7,0,0,1.396551724,1.298076923,1.038461538,0.724190283,1.246153846,0.778846154,0,0,47.07265321,23.5363266,35.95873368,47.07265321,4.707265321,23.5363266,-1.42E-14,3.33E-16,3.33E-17,-35.63818828,47.94918458,4.794918458,3.870141796,47.07265321,23.5363266,35.95873368,47.07265321,4.707265321,23.5363266,-1.42E-14,3.33E-16,3.33E-17,-35.63818828,47.94918458,4.794918458,3.870141796,47.07265321,23.5363266,35.95873368,47.07265321,4.707265321,23.5363266,-1.42E-14,3.33E-16,3.33E-17,-35.63818828,47.94918458,4.794918458,3.870141796,47.07265321,23.5363266,35.95873368,47.07265321,4.707265321,23.5363266,-1.42E-14,3.33E-16,3.33E-17,-35.63818828,47.94918458,4.794918458,3.870141796,47.07265321,23.5363266,35.95873368,47.07265321,4.707265321,23.5363266,-1.42E-14,3.33E-16,3.33E-17,-35.63818828,47.94918458,4.794918458,3.870141796,47.07265321,23.5363266,35.95873368,47.07265321,4.707265321,23.5363266,-1.42E-14,3.33E-16,3.33E-17,-35.63818828,47.94918458,4.794918458,3.870141796,49.99960839,24.98869308,38.78602973,49.98183061,4.998183061,24.98869308,-0.022222222,1.11E-16,1.11E-17,-36.73680057,45.55960674,4.555960674,3.819021507,0,11.9,12.10017173,-0.151146394,0.049052325,6.939690164,9.239008901,11,29,29,29,11,0,0,0,0,0,19.677726,3.743078852,3.432574826,2.641561682,2.459820995,2.459820995,2.104115623,1.206347075,1.19006016,1.862703213,1.724171079,1.724171079,1.463302891,0.757863935,0.757863935,0.735121179,0.599975085,3.764442493,3.461101754,2.680442741,2.510897621,2.510897621,2.162806931,1.314693054,1.30885592,1.812151498,1.655976007,1.655976007,1.385504819,0.62194973,0.62194973,0.60611689,0.452121925,3.858666694,3.586224071,2.854988672,2.734801489,2.734801489,2.422580545,1.778468089,1.778468089,1.66748115,1.452583651,1.452583651,1.154354357,0.19123075,0.172849073,0.172849073,0.046080835,3.780191068,3.482102777,2.709324748,2.548571849,2.548571849,2.206296049,1.39352899,1.39352899,1.780322735,1.612285733,1.612285733,1.335684977,0.531260614,0.531260614,0.520823094,0.352776267,3.904834438,3.646932101,2.941128325,2.841861735,2.841861735,2.547062666,1.978039144,1.978039144,1.623566697,1.38842831,1.38842831,1.082182257,0.0516727,0.016182923,0.016182923,0.22393272,3.806025351,3.544615199,2.763935841,2.654572333,2.654572333,2.309534581,1.594952224,1.594952224,1.747123481,1.508440758,1.508440758,1.234970512,0.351989219,0.33199289,0.33199289,0.139731373,0,0,0,0,0,0,8,2,0,0,0,0.288675135,0.166666667,0.23570226,0,0,0.288675135,0.166666667,0.23570226,0.333333333,0,0.083333333,0,0.333333333,0,0.083333333,0,0.942809042,1.5,1.414213562,0.942809042,1.5,1.414213562,6.811554788,4.966326495,4.089073412,3.466326495,2.857589235,1.333333333,0.942809042,0.5,0.681155479,0.451484227,0.292076672,0.192573694,0.12989042,0.083333333,0.058925565,0.041666667,6.811554788,4.966326495,4.089073412,3.466326495,2.857589235,1.333333333,0.942809042,0.5,0.681155479,0.451484227,0.292076672,0.192573694,0.12989042,0.083333333,0.058925565,0.041666667,14.87645023,26.99053168,25.52941176,25.84,17.18699042,213.9969904,0.531301794,0.96394756,0.911764706,0.922857143,0.613821086,7.642749658,3.3668,43.916,48.03513761,70.0626994,96.07027522,9.607027522,48.03513761,4.44E-16,4.44E-17,-35.35050621,57.94913187,5.794913187,4.059565589,90,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,12.35648148,0,0,0,2.310185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.528935185,0,0,0,1.155092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.560185185,0,0,0,1.155092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66666667,1.466666667,0.2,1.560185185,0.2,1.155092593,6.937652778,0.178240741,0.060185185,0.712962963,0.178240741,0.060185185,0.712962963,5,0.5,0,0,0.44286,0.7,0.44286,0.44286,0.7,0,0,0,0,0.71429,0,0,0,0.2,0,5.5,0.55,5.5,0.55,0,0,-5.5,-0.55,0,0,10.71029,1.07103,10.71029,0,0,4.96631,0.49663,4.96631,0,0,-0.05231,-0.00523,0.11969,0.01197,0.357142857,31,0,0,0,0,0,0,1,0.940285959,1.198117421,1.807354922,2.378783493,2.182005815,2.120952031,26.32800684,33.54728779,50.60593782,66.60593782,61.09616281,59.38665687,0.195593205,0.249225913,0.375956207,0.494821691,0.453889062,0.441188983,3.867068963,3.609237501,3,2.428571429,2.625349107,2.686402891,0.193554886,0.246628676,0.372038286,0.489665047,0.449158985,0.436591257,6.779097864,9.873075414,13.62770164,14.20360166,11.84226951,13.94375265,39.20654966,35.42600366,30.43931939,31.3199826,35.57548876,31.9500736,6.694214876,2.93877551,1.382716049,0,0,0,2.56,1.3004,0,0,0,0,11.03116616,8.596559455,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.093,0.104,0.349,0.426,5.02,14,18,22,16,16,12,8,4,0,131,2.48490665,2.708050201,2.944438979,3.135494216,2.833213344,2.833213344,2.564949357,2.197224577,1.609437912,0,4.882801923,1,0.4,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.090909091,1,0.090909091,1,3,5,0.666666667,1,0.888888889,0.055555556,0.18,0,0,0,0,0,0,0.090909091,0.063492063,0.006944444,0.0225,0,0,0,0,0,0,0.183845599,23.5363266,35.95873368,47.07265321,4.707265321,23.5363266,3.33E-16,3.33E-17,-35.63818828,47.94918458,4.794918458,3.870141796,0,156.8033876,4.321928095,3.931825633,4.744932128,5.572154032,6.401917197,7.23489842,8.068089626,8.902047346,9.735956081,10.57005972,86.16188019,3.135494216,0,4.369447852,3.044522438,5.777652323,5.129898715,7.271703707,6.985641818,8.816260209,9.198369,138.1408506,4.933601806,20.3637329,2.03637329,0,0,0,115,8,5.228,50,1.403756709,2.506845621,3.365074285,4.457342388,5.77061541,6.751434042,7.935583288,0,0,0,111.2140036,118.3538689,81.52021268,111.1233233,109.466772,34.65171244,8.063060498,0,0,0,381.2007531,479.251274,418.0061303,525.4602068,635.8124887,419.4767297,246.6676428,0,0,0,10.29290999,18.03627034,23.68270365,31.15588362,40.45145715,46.35949941,53.31493064,0,0,0,2.757555159,3.779068188,3.684261992,4.594507991,5.84066284,4.677979121,3.528262737,0,0,0,196.1766691,373.4923175,539.6155127,732.3684854,936.603277,1168.787344,1467.429429,0,0,0,2.53364064,3.980199105,4.641521026,6.017915051,7.981284582,8.004331131,7.935583288,0,0,0,0.566821252,0.789608871,0.785815836,0.980459879,1.254127191,1.036144125,0.812603729,0,0,0,395.2325144,191.5754307,10.59210105,89.66010531,-43.45966656,-4.346257405,305.5724091,235.0350972,14.93835846,0.815092865,0.395088362,0.02184422,0.184907135,-0.089627404,-0.00896334,191.6453293,92.89351244,5.136031628,43.47552335,-21.07327157,-2.107468139,0.062153552,0.108408697,1.24846721,0.552307789,484.8926197,0,1,0,494.6237679,22.24013867,7.908455231,668.9904173,25.86484907,8.745942793,845.2261,29.07277249,9.454915092,1.732930963,1.732930963,1124.077396,1025.345738,204.7230826,1.09629109,5.49072133,5.008452028,5.301894258,5.691804142,9.717452428,0.707271049,5.020209962,4.151263098,3.982568407,15.38837539,15.28084271,16.19443329,13.12625775,14.78113984,7.360465628,5.267932028,13.63340146,9.766585474,4.637603711,2.258520327,2.023226083,0.287627364,2.882756939,0.021080471,5.62E-04,3.30E-27,4.16E-72,1.08E-138,5.55E-227,0,0,0,0,0,0,0,0.421311435,4.150918446,1.439804943,4.525908936,1.155637437,3.673857462,0.748205252,1.911746996,2.063023713,0.285838868,3.440299172,0.889500219,0.128463396,0.743184464,0.971972769,0.008591093,0.091334009,1.48E-04,3.96E-06,2.33E-29,2.93E-74,7.57E-141,3.91E-229,0,0,0,0,0,0,0,1.360044669,4.150943086,1.783501588,6.175134356,2.808456531,5.155423939,2.148804201,3.263349746,2.768344267,0.95373206,4.624308658,2.278886328,0.586253676,0.852990887,1.053367268,0.037977773,0.394069181,0.001547187,4.12E-05,2.43E-28,3.05E-73,7.89E-140,4.08E-228,0,0,0,0,0,0,0,4.738668689,4.151225828,3.764874327,14.52243082,13.98082011,15.04793393,11.97013174,13.54212074,6.903143587,4.839446614,12.69219259,9.073629048,4.197897249,2.095173961,1.911751354,0.260791408,2.617393254,0.01878232,5.00E-04,2.94E-27,3.70E-72,9.58E-139,4.95E-227,0,0,0,0,0,0,0,2.004455605,4.150973572,2.071499325,7.475937421,4.308407073,6.491410242,3.444611737,4.569849994,3.364166981,1.515862415,5.70331909,3.358139846,1.037874219,0.987606995,1.148788526,0.066337081,0.681181176,0.003360698,8.95E-05,5.27E-28,6.63E-73,1.71E-139,8.86E-228,0,0,0,0,0,0,0,6.062630571,4.151419456,4.859019648,18.8227445,20.58847769,20.87086434,17.85916906,19.88093282,9.204753486,6.994628871,17.47842476,12.5020459,6.451462604,2.943455085,2.489465505,0.398063258,3.972548233,0.030743885,8.19E-04,4.82E-27,6.06E-72,1.57E-138,8.10E-227,0,0,0,0,0,0,0,3.457444877,4.028948545,2.843240691,10.68743382,8.648212769,10.17986055,7.229937382,8.591271821,4.955488889,3.02503459,9.000532058,6.207135743,2.445180085,1.488287359,1.51763852,0.153560546,1.554877401,0.009799806,2.61E-04,1.54E-27,1.93E-72,5.00E-139,2.58E-227,0,0,0,0,0,0,0,8.089484512,1.735300167,0.909872287,0.753585749,0.161653993,0.565805198,0.444405381,0.446328981,10.73465697,22.97698313,46.48413957,0.630378624,1.45653956,7.039393628,1.098676296,0.383764825,0.826042024,0.128924853,0.42831001,0.178227243,0.079349177,8.521834749,10.8571199,22.34699753,0.739063037,0.68588643,7.442746021,1.343260284,0.585974623,0.794148652,0.143327253,0.478851263,0.266359987,0.185085556,9.371980928,15.14592186,30.37621053,0.691222978,0.930296806,8.062060096,1.718679017,0.896145259,0.755094821,0.160971961,0.561969958,0.435937526,0.432965218,10.67688437,22.62105651,45.7150134,0.632642232,1.430872702,7.628222183,1.455707675,0.678903682,0.781353298,0.149107088,0.503043041,0.312795698,0.248474884,9.76283354,17.27157501,34.57326841,0.672029947,1.064313623,8.175839896,1.787636044,0.95309248,0.748938639,0.163754394,0.577967468,0.4716002,0.48972841,10.91656842,24.11154009,48.95796121,0.623407959,1.539296078,8.076720173,1.724607364,0.899920223,0.754745648,0.161159465,0.564017434,0.438952328,0.436623596,10.70124776,22.74958395,45.98597446,0.632118472,1.439593357 +UMLMON0183,L,cyclopentylcyclopentane,C1CCC(C1)C2CCCC2,15417,,UML,[1],C10H18,PubChem,,9.7,0,0.463,0.214369,29.1787,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1719.157786,1097.746948,287.86464,24.385536,0,0,0,3399.790734,4570.930941,7070.212022,6886.010428,3693.500827,746.0098663,0,0,0,146.842108,152.43046,299.177704,409.724176,444.68352,161.243136,0,0,0,25.74688067,35.11192034,56.83310387,63.25981588,42.27846692,10.67070972,0,0,0,3476.407621,3031.276161,6485.816131,9157.336253,11383.7453,4438.023649,0,0,0,32.5625,39.5,67,93,79,24,0,0,0,48.76541633,56.15943233,40.93232824,18.92667152,4.428686769,1.016064,0,0,0,161.8947969,217.6633782,168.3383815,118.7243177,56.82308964,31.08374443,0,0,0,6.992481333,7.258593333,7.123278667,7.064209931,6.841284923,6.718464,0,0,0,1.226041937,1.671996207,1.35316914,1.090686481,0.650437953,0.444612905,0,0,0,165.54322,144.3464838,154.4241936,157.8851078,175.134543,184.917652,0,0,0,1.550595238,1.880952381,1.595238095,1.603448276,1.215384615,1,0,0,0,0.027535165,-0.003887458,0.007166211,-0.033384939,0.00136783,0.014970773,0,0,0,564.9747087,4.90E-13,80.71067267,-753.2996116,67.25889389,322.8426907,0,0,0,1050.594596,-5.68E-14,150.0849423,-1400.792795,125.0707852,600.3397692,0,0,0,0.110674667,1.59E-15,0.015810667,-0.147566222,0.013175556,0.063242667,0,0,0,4.696646663,7.55E-15,0.670949523,-6.26219555,0.559124603,2.683798093,0,0,0,25.51225921,2.26E-14,3.644608459,-34.01634562,3.037173716,14.57843384,0,0,0,2.202380952,-1.080357143,1.470238095,-2.303004535,-0.171060091,0.982993197,0,0,0,0.001311198,-1.85E-04,1.71E-04,-5.76E-04,2.10E-05,6.24E-04,0,0,0,26.90355756,2.33E-14,1.921682683,-12.98792434,1.034752214,13.45177878,0,0,0,50.0283141,-2.71E-15,3.573451007,-24.15159991,1.924165927,25.01415705,0,0,0,0.005270222,7.57E-17,3.76E-04,-0.002544245,2.03E-04,0.002635111,0,0,0,0.223649841,3.60E-16,0.015974989,-0.107968889,0.008601917,0.111824921,0,0,0,1.214869486,1.08E-15,0.086776392,-0.586488718,0.046725749,0.607434743,0,0,0,0.104875283,-0.051445578,0.035005669,-0.039706975,-0.002631694,0.04095805,0,0,0,-0.141181577,0.130128347,-0.438989568,0.016049093,0.475734436,0,0,0,8.68E-16,0.071428571,-0.482758621,0.038461538,0.5,0,0,0,-5.41E-17,0.071428571,-0.482758621,0.038461538,0.5,0,0,0,1.44E-14,0.071428571,-0.482758621,0.038461538,0.5,0,0,0,1.61E-15,0.071428571,-0.482758621,0.038461538,0.5,0,0,0,8.88E-16,0.071428571,-0.482758621,0.038461538,0.5,0,0,0,-0.490540541,0.333783784,-0.37861137,-0.025093555,0.390540541,0,0,0,1.569323881,0.947185736,1.55510981,0.722847947,0.003371338,0,0,0,1.428571429,1.12244898,1.551724138,0.659340659,0,0,0,0,1.428571429,1.12244898,1.551724138,0.659340659,0,0,0,0,1.428571429,1.12244898,1.551724138,0.659340659,0,0,0,0,1.428571429,1.12244898,1.551724138,0.659340659,0,0,0,0,1.428571429,1.12244898,1.551724138,0.659340659,0,0,0,0,2,0.513513514,1.663560112,0.768399168,0,0,0,0,22.77328225,11.38664112,16.27413364,22.77328225,3.253326035,11.38667429,-1.07E-14,0.009282352,0.00132605,-3.275748196,31.77968915,4.539955593,2.421179166,22.77328225,11.38664112,16.27413364,22.77328225,3.253326035,11.38667429,-1.07E-14,0.009282352,0.00132605,-3.275748196,31.77968915,4.539955593,2.421179166,22.77328225,11.38664112,16.27413364,22.77328225,3.253326035,11.38667429,-1.07E-14,0.009282352,0.00132605,-3.275748196,31.77968915,4.539955593,2.421179166,22.77328225,11.38664112,16.27413364,22.77328225,3.253326035,11.38667429,-1.07E-14,0.009282352,0.00132605,-3.275748196,31.77968915,4.539955593,2.421179166,22.77328225,11.38664112,16.27413364,22.77328225,3.253326035,11.38667429,-1.07E-14,0.009282352,0.00132605,-3.275748196,31.77968915,4.539955593,2.421179166,22.77328225,11.38664112,16.27413364,22.77328225,3.253326035,11.38667429,-1.07E-14,0.009282352,0.00132605,-3.275748196,31.77968915,4.539955593,2.421179166,27.24816257,13.53479557,19.67132958,27.12061155,3.874373078,13.53479908,-0.178571429,0.009006543,0.001286649,-3.296862766,28.06813728,4.009733897,2.33424452,0,11.9,12.10010405,-0.15024009,0.049918964,6.28675,8.706003578,7,21,21,21,7,0,0,0,0,0,15.304898,3.685509312,2.900624885,2.459820995,2.333552793,1.882361569,1.19006016,0.442409364,0.083923071,1.86262437,1.724171079,1.249629723,1.216389467,0.757863935,0.580122082,0.083923071,0.083923071,3.707373867,2.941805738,2.510897621,2.405454588,1.958407586,1.30885592,0.55183602,0.270913902,1.806936484,1.655976007,1.134540686,1.109748189,0.62194973,0.429996831,0.270913902,0.270913902,3.804575529,3.123976702,2.734801489,2.704236987,2.278289185,1.778468089,0.964952352,0.943918427,1.648584778,1.452583651,0.770167703,0.76031856,0.172849073,0.078713994,0.943918427,0.943918427,3.723536286,2.972249117,2.548571849,2.457539916,2.013769761,1.39352899,0.628737459,0.399277246,1.771937841,1.612285733,1.058262671,1.039584512,0.531260614,0.328938534,0.399277246,0.399277246,3.852583127,3.212391847,2.841861735,2.838982085,2.423819797,1.978039144,1.207644823,1.207644823,1.601035517,1.38842831,0.656201591,0.631337262,0.016182923,0.261765856,1.12961095,1.207644823,3.713084649,3.066460035,2.69310324,2.575360409,2.101224725,1.526647766,0.680858864,0.622222222,1.741924609,1.5891262,0.888833626,0.826436573,0.401770864,0.175314483,0.622222222,0.622222222,0,0,0,0,0,2,4,0,1,0,0,0.125,0.25,0.125,0,0,0.125,0.25,0.125,1.207106781,0.25,0,0,1.207106781,0.25,0,0,1.207106781,1.457106781,0.5,1.207106781,1.457106781,0.5,5.328427125,3.207106781,3.371320344,1.957106781,1.332106781,0.5,0,0,0.761203875,0.458158112,0.337132034,0.217456309,0.148011865,0.125,0,0,5.328427125,3.207106781,3.371320344,1.957106781,1.332106781,0.5,0,0,0.761203875,0.458158112,0.337132034,0.217456309,0.148011865,0.125,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.5866,32.249,21.66837026,30.60589335,43.33674052,6.190962931,21.66837026,0.160268878,0.022895554,-1.28163167,24.81525031,3.545035759,2.248020877,34,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,4.722222222,0,5.833333333,0,0,0,0,0,0,0,0,0,0.694444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.361111111,0,1.451388889,0,0,0,0,0,0,0,0,0,0.694444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.361111111,0,1.465277778,0,0,0,0,0,0,0,0,0,0.694444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.25,1.607142857,0.2,2.361111111,0,0.694444444,5.021805556,0.555555556,0.361111111,1.444444444,0.555555556,0.361111111,1.444444444,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.28571,0,0.14286,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,7.16768,1.02395,7.16768,0,0,3.20711,0.45816,3.20711,0,0,0.20689,0.02956,0.29289,0.04184,0.238095238,7,0,0,0,0,0,0,1,0.918295834,1.377890332,2.22518528,2.606137661,2.243773829,2.143780235,19.28421252,28.93569697,46.72889087,54.72889087,47.1192504,45.01938493,0.209068641,0.313704635,0.506608486,0.593340009,0.510840546,0.488074979,3.474021589,3.014427091,2.167132143,1.786179762,2.148543594,2.248537188,0.209068641,0.313704635,0.506608486,0.593340009,0.510840546,0.488074979,6.73287657,12.24801054,15.19568322,15.57961656,11.23125058,15.11364117,27.64912502,21.52784026,20.22732625,19.62950922,25.40918819,19.8055605,5.142857143,1.5,1.185185185,0,0,0,2.23,0.9863,0.5,3.265986324,0,2,4.242640687,0,2.828427125,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.111,0.198,0.227,3.211,10,9,9,4,0,0,0,0,0,46,2.079441542,2.397895273,2.302585093,2.302585093,1.609437912,0,0,0,0,0,3.850147602,1,0.333333333,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,0,2,3,0.5,2.5,0.888888889,0.444444444,0,0,0,0,0,0,0,0.357142857,0.088888889,0.111111111,0,0,0,0,0,0,0,0.557142857,11.38664112,16.27413364,22.77328225,3.253326035,11.38667429,0.009282352,0.00132605,-3.275748196,31.77968915,4.539955593,2.421179166,0,117.2718924,3.807354922,3.555348061,4.290459441,5.153291594,5.910796644,6.771935556,7.539558829,8.395025557,9.169622539,10.01935765,74.80539587,2.708050201,0,4.007333185,2.397895273,5.468060141,4.59511985,6.991176887,6.529418838,8.543835122,8.898911906,98.10955045,4.671883355,13.37040043,1.910057204,0,0,0,39,4,3.959,34,1.343117981,2.388874078,3.291932355,3.861754203,4.795163184,0,0,0,0,0,95.70321648,112.149332,68.8779076,18.92409842,4.872192686,0,0,0,0,0,339.7181944,443.4687559,407.7944995,233.1760201,149.0516269,0,0,0,0,0,9.8140227,17.11147376,23.28604483,26.48492048,32.21613123,0,0,0,0,0,2.502707816,3.485700638,3.688477291,2.621697328,2.131991433,0,0,0,0,0,189.8352978,362.060893,517.6150711,671.1045041,886.7103171,0,0,0,0,0,2.595680055,3.981639773,5.335976018,4.811806205,4.795163184,0,0,0,0,0,0.516208864,0.728414912,0.788675383,0.581543897,0.49102471,0,0,0,0,0,287.1220645,102.0276927,7.300263134,58.77752958,-20.88636322,-3.188061369,228.3445349,122.9140559,10.4883245,0.830073436,0.29496332,0.021105151,0.169926564,-0.060382734,-0.009216725,99.31540555,35.29133749,2.525158055,20.33112362,-7.224584558,-1.102749133,0.076103537,0.168318214,1.116204332,1.550960592,345.8995941,0,1,0,340.3421315,18.44836393,6.981872358,475.9606367,21.8165221,7.807710088,569.7796819,23.87005827,8.290275939,1.099740677,1.059730873,319.2836083,303.6896648,146.6756519,1.051348285,2.176800336,2.070484507,3.939354211,3.828720141,6.541971623,0.708657562,3.904607748,3.492913741,3.766697248,15.07625671,9.588210516,10.84563816,7.60474172,9.515132087,3.603133359,0.945844567,1.497734646,0.838483325,7.74E-10,1.38E-40,4.74E-93,3.14E-167,4.01E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,3.492623747,0.757240322,4.995787849,2.260247985,1.311609197,0.359922187,0.57275864,0.158914013,0.078680117,0.010549893,0.005905507,5.45E-12,9.71E-43,3.34E-95,2.21E-169,2.83E-265,0,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,3.492643676,1.091892783,6.686115822,3.216276565,2.376566661,1.260156246,1.521379345,0.60751531,0.254448983,0.109928399,0.061539932,5.68E-11,1.01E-41,3.48E-94,2.30E-168,2.95E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,3.492882097,3.483532426,14.3291953,8.948646995,9.950253201,6.95653377,8.657536016,3.302269231,0.892319458,1.334455449,0.747073547,6.90E-10,1.23E-40,4.22E-93,2.80E-167,3.58E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,3.492669015,1.404652663,7.955535113,4.032827556,3.369255608,2.049933477,2.432890579,0.991013739,0.375476353,0.238776155,0.133672956,1.23E-10,2.20E-41,7.55E-94,5.01E-168,6.40E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,3.493046676,4.927454473,17.98982863,12.17303678,14.51477862,10.23716877,13.04257679,4.819299091,1.144521184,2.184301224,1.222849127,1.13E-09,2.01E-40,6.91E-93,4.58E-167,5.85E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,2.591502624,3.096948703,1.871394817,10.81481716,6.052549118,5.373633399,3.733656059,4.508357575,2.059709349,0.559200435,0.57986985,0.324627618,3.00E-10,5.34E-41,1.83E-93,1.22E-167,1.55E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,3.118894034,1.35502221,1.25797003,0.544130481,0.236400749,0.448805338,0.448610405,0.474352451,5.731886274,9.854223238,20.90250558,0.316195721,1.371768194,2.432780754,0.82742418,0.668100661,0.619295189,0.210631317,0.272566937,0.148117487,0.137687866,3.928305595,4.191086691,9.464239912,0.428942783,0.558372291,2.705207511,1.034324358,0.905097429,0.582437766,0.222692553,0.337264949,0.237193129,0.251309933,4.644629298,6.182702704,13.35985075,0.373656649,0.82576801,3.101900643,1.341598652,1.243735402,0.545414566,0.235896481,0.443907142,0.437145617,0.464529538,5.687234698,9.688043107,20.5510898,0.318121849,1.345582296,2.826672602,1.127407269,1.009844386,0.569443137,0.227120159,0.368350577,0.287168418,0.311667233,4.963924257,7.179816596,15.36192429,0.354164706,0.967186228,3.172097911,1.397231039,1.302349487,0.540236995,0.237961096,0.464316369,0.486483137,0.505076186,5.871678437,10.38301687,22.02690835,0.310355492,1.455875692,3.108251891,1.344424012,1.247993432,0.545243323,0.235836168,0.445749042,0.446545587,0.465156691,5.700669335,9.735718758,20.65151362,0.317864984,1.35745132 +UMLMON0184,L,"1,1-Dimethylcyclopentane",CC1(CCCC1)C,15421,,"Sandia, UML",[1],C7H14,PubChem,,89.3,0,-0.6076,0.36917776,26.3399,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1477.025768,964.65466,533.889554,141.39216,12.192768,0,0,3399.790734,4570.930941,6619.957195,5882.175964,3751.553998,1769.041052,373.0049332,0,0,146.842108,152.43046,299.130272,404.93416,324.596936,205.5456,80.621568,0,0,25.74688067,35.11192034,54.8202553,55.23263902,37.62614601,20.0277012,5.335354858,0,0,3476.407621,3031.276161,6474.882305,9538.877504,8002.571176,5229.578518,2219.011824,0,0,31.02777778,38.08333333,64.91666667,78.83333333,62,37,12,0,0,48.76541633,56.15943233,35.16728019,16.6319769,11.35935221,4.713072,1.016064,0,0,161.8947969,217.6633782,157.6180285,101.416827,79.82029783,58.96803508,31.08374443,0,0,6.992481333,7.258593333,7.122149333,6.981623448,6.906317787,6.85152,6.718464,0,0,1.226041937,1.671996207,1.305244174,0.95228688,0.800556298,0.66759004,0.444612905,0,0,165.54322,144.3464838,154.1638644,164.4634052,170.2674718,174.3192839,184.917652,0,0,1.477513228,1.813492063,1.545634921,1.359195402,1.319148936,1.233333333,1,0,0,0.028683677,-0.001665962,-0.009502807,-0.010467147,0.001210158,-0.00118001,0.00726393,0,0,564.9747087,5.76E-13,-161.4213453,-269.0355756,-13.45177878,-5.01E-13,161.4213453,0,0,1050.594596,0,-300.1698846,-500.283141,-25.01415705,1.42E-13,300.1698846,0,0,0.110674667,1.58E-15,-0.031621333,-0.052702222,-0.002635111,-1.12E-15,0.031621333,0,0,4.696646663,7.55E-15,-1.341899046,-2.236498411,-0.111824921,-5.02E-15,1.341899046,0,0,25.51225921,2.09E-14,-7.289216918,-12.14869486,-0.607434743,-1.13E-14,7.289216918,0,0,1.661375661,-0.349206349,-0.517195767,-0.096497858,0.010519022,-0.278155707,0.399848828,0,0,0.001365889,-7.93E-05,-2.26E-04,-1.80E-04,2.57E-05,-3.93E-05,6.05E-04,0,0,26.90355756,2.74E-14,-3.843365365,-4.638544406,-0.286208059,-1.67E-14,13.45177878,0,0,50.0283141,0,-7.146902014,-8.625571396,-0.532216107,4.74E-15,25.01415705,0,0,0.005270222,7.54E-17,-7.53E-04,-9.09E-04,-5.61E-05,-3.75E-17,0.002635111,0,0,0.223649841,3.60E-16,-0.031949977,-0.038560317,-0.002379254,-1.67E-16,0.111824921,0,0,1.214869486,9.94E-16,-0.173552784,-0.209460256,-0.012924143,-3.77E-16,0.607434743,0,0,0.079113127,-0.016628874,-0.012314185,-0.001663756,2.24E-04,-0.009271857,0.033320736,0,0,-0.058080487,-0.165648344,-0.13212494,0.018850759,-0.028797118,0.443174591,0,0,1.02E-15,-0.142857143,-0.172413793,-0.010638298,-6.21E-16,0.5,0,0,0,-0.142857143,-0.172413793,-0.010638298,9.47E-17,0.5,0,0,1.43E-14,-0.142857143,-0.172413793,-0.010638298,-7.12E-15,0.5,0,0,1.61E-15,-0.142857143,-0.172413793,-0.010638298,-7.49E-16,0.5,0,0,8.18E-16,-0.142857143,-0.172413793,-0.010638298,-3.11E-16,0.5,0,0,-0.210191083,-0.155652866,-0.02103009,0.002828974,-0.117197452,0.421178344,0,0,1.487348494,1.286575623,1.045604518,0.860117989,0.786939709,0.004225556,0,0,1.428571429,1.326530612,1.108374384,0.820668693,0.714285714,0,0,0,1.428571429,1.326530612,1.108374384,0.820668693,0.714285714,0,0,0,1.428571429,1.326530612,1.108374384,0.820668693,0.714285714,0,0,0,1.428571429,1.326530612,1.108374384,0.820668693,0.714285714,0,0,0,1.428571429,1.326530612,1.108374384,0.820668693,0.714285714,0,0,0,1.703821656,1.098726115,0.807160114,1.024529069,1.103503185,0,0,0,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,27.77813452,13.84244028,21.13062283,27.71152455,3.958789221,13.84244316,-0.093253968,0.096451767,0.013778824,-1.637098556,31.38905264,4.484150377,2.412521433,0,11.9,12.10010405,-0.151270271,0.048850063,5.392996342,8.077254951,7,21,21,21,7,0,0,0,0,0,15.304898,3.647787381,3.021440864,2.459820995,2.333928549,1.614437775,1.19006016,0.90129777,0.083923071,1.84856911,1.724171079,1.450086455,0.858665118,0.757863935,0.599202866,0.342753438,0.083923071,3.671939768,3.062393404,2.510897621,2.389140141,1.708805736,1.30885592,1.030454092,0.270913902,1.788978482,1.655976007,1.359643119,0.728794522,0.62194973,0.450646282,0.180101225,0.270913902,3.778083811,3.241304403,2.734801489,2.629214171,2.094567724,1.778468089,1.535538228,0.943918427,1.615918511,1.452583651,1.078375163,0.30272884,0.172849073,0.05241732,0.385488991,0.943918427,3.689726204,3.092533223,2.548571849,2.42975998,1.776860463,1.39352899,1.122168703,0.399277246,1.751218884,1.612285733,1.300689189,0.642372585,0.531260614,0.350686873,0.069694815,0.399277246,3.829816881,3.327119566,2.841861735,2.742891592,2.264406843,1.978039144,1.74770537,1.207644823,1.562710917,1.38842831,0.986158122,0.155202657,0.016182923,0.233608016,0.596747543,1.207644823,3.693106554,3.226609051,2.607153007,2.523408499,1.928706972,1.554062227,1.280899197,0.646153846,1.711484768,1.5567116,1.135299283,0.464111875,0.373734403,0.172430898,0.122904243,0.646153846,0,0,0,0,0,1,5,1,0,0,0,0.144337567,0.102062073,0.102062073,0,0,0.144337567,0.102062073,0.102062073,0.204124145,0,0,0,0.204124145,0,0,0,0.49279928,0.594861352,0.204124145,0.49279928,0.594861352,0.204124145,5.112884175,3.431851653,2.558730745,2.052095141,1.418611262,0.49279928,0.204124145,0,0.730412025,0.490264522,0.319841343,0.228010571,0.157623474,0.12319982,0.102062073,0,5.112884175,3.431851653,2.558730745,2.052095141,1.418611262,0.49279928,0.204124145,0,0.730412025,0.490264522,0.319841343,0.228010571,0.157623474,0.12319982,0.102062073,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.5866,32.249,22.87726984,33.16178179,45.75453968,6.536362811,22.87726984,0.106509552,0.01521565,-1.567664427,23.73191568,3.390273668,2.216774557,44,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,1,0,5,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,2.301574074,0,7.434537037,0,0,0,1.097222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.301574074,0,1.416666667,0,0,0,1.097222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.301574074,0,1.510416667,0,0,0,1.097222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.83333333,1.547619048,0.2,2.301574074,0.2,1.097222222,5.044046296,0.236111111,0.301574074,0.644814815,0.236111111,0.301574074,0.644814815,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.14286,0.14286,0,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.53706,0.93387,6.53706,0,0,3.43185,0.49026,3.43185,0,0,-0.01785,-0.00255,0.06815,0.00974,0.238095238,7,0,0,0,0,0,0,1,0.918295834,1.301240785,2.262362377,2.855904922,2.891851946,2.606137661,19.28421252,27.3260565,47.50960993,59.97400337,60.72889087,54.72889087,0.209068641,0.296253813,0.515072605,0.650204584,0.658388652,0.593340009,3.474021589,3.091076637,2.129955045,1.5364125,1.500465476,1.786179762,0.209068641,0.296253813,0.515072605,0.650204584,0.658388652,0.593340009,6.73287657,11.32821599,14.83801525,16.87821207,14.42555679,15.57961656,27.64912502,22.75804088,20.11514464,17.85206274,20.67668291,19.62950922,5.142857143,2.34375,1.185185185,2,0,2,2.23,0.9863,0,1.850535862,0.5,0,5.676240019,3.789291416,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,3.395,8,9,9,4,2,0,0,0,0,46,2.079441542,2.197224577,2.302585093,2.302585093,1.609437912,1.098612289,0,0,0,0,3.850147602,1,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,2,0.285714286,0,2,4,1,1,0.444444444,0.222222222,0.125,0,0,0,0,0,0,0.142857143,0.055555556,0.055555556,0.0625,0,0,0,0,0,0,0.316468254,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,0,117.2718924,3.807354922,3.433987204,4.17438727,4.934473933,5.693732139,6.459904454,7.22329568,7.990576882,8.755107122,9.522446728,72.18791141,2.708050201,0,3.850147602,2.397895273,5.176149733,4.442651256,6.577861358,6.259581464,8.017966703,8.436416881,98.10955045,4.671883355,13.58523637,1.940748052,0,0,0,43,4,3.922,30,1.343117981,2.390692085,3.210325243,4.004198754,5.06631913,6.164327026,0,0,0,0,95.70321648,95.61595469,62.23573983,55.47485422,26.45975158,6.263350776,0,0,0,0,339.7181944,410.0402052,351.5421791,355.316314,318.2240234,191.6103659,0,0,0,0,9.8140227,17.10320877,22.47497521,27.76408163,34.80490719,41.41480921,0,0,0,0,2.502707816,3.324005922,3.217759812,3.445317846,3.537941431,2.740739346,0,0,0,0,189.8352978,363.0528976,523.5023825,673.461746,875.7556973,1139.89288,0,0,0,0,2.529045824,3.797345526,4.463666479,5.480270411,6.41522856,6.164327026,0,0,0,0,0.516208864,0.698107518,0.690818793,0.747477988,0.783197475,0.631227088,0,0,0,0,305.8151953,111.2090271,7.86049103,53.87153995,-19.59026772,-2.920773702,251.9436553,130.7992948,10.78126473,0.850226504,0.309183009,0.021853714,0.149773496,-0.054464805,-0.008120326,109.9976692,40.00041189,2.827314356,19.37687833,-7.046359437,-1.050563557,0.082146845,0.178551061,0.966780438,1.645250697,359.6867352,0,1,0,340.3421315,18.44836393,6.981872358,475.9606367,21.8165221,7.807710088,539.5784135,23.22882721,8.14113311,1.438297937,1.049065191,449.8613812,394.9927334,106.9611802,1.138910525,4.205837859,3.69286065,4.134407277,4.389230947,7.584798812,0.728047329,3.904607748,3.492895216,3.16846732,11.18985242,9.600371423,8.362736535,7.633129113,9.901339579,3.177345189,1.682803851,1.290182808,1.540262782,1.028073422,1.40269756,3.26E-08,4.21E-37,1.05E-87,5.02E-160,4.65E-254,0,0,0,0,0,0,0,0,0,0,0,0.327686671,3.492623617,0.7510435,4.341492281,0.721585455,1.886115837,0.307705479,0.565966676,0.140865553,0.04348663,0.71254889,0.090835969,0.029260869,0.009879314,2.30E-10,2.96E-39,7.37E-90,3.54E-162,3.28E-256,0,0,0,0,0,0,0,0,0,0,0,1.05781252,3.492642317,1.042890253,5.543208359,1.679539733,2.579331042,1.127561682,1.729186364,0.526423316,0.204783437,0.769235066,0.318550631,0.132028576,0.102950065,2.39E-09,3.09E-38,7.68E-89,3.69E-161,3.41E-255,0,0,0,0,0,0,0,0,0,0,0,3.685631203,3.492865592,2.949154615,10.70119866,8.754561779,7.743793437,6.945731082,9.067223349,2.908583318,1.521130165,1.233162434,1.427422732,0.931157029,1.249778272,2.90E-08,3.75E-37,9.32E-88,4.48E-160,4.14E-254,0,0,0,0,0,0,0,0,0,0,0,1.559021026,3.492666062,1.303093405,6.426398744,2.590832942,3.241905628,1.890913126,2.748113043,0.860651039,0.366971761,0.826326196,0.495103046,0.232597402,0.223621298,5.20E-09,6.70E-38,1.67E-88,8.01E-161,7.41E-255,0,0,0,0,0,0,0,0,0,0,0,4.715379333,3.493019659,4.061461773,13.07791821,13.07521365,10.90697839,10.449554,13.28787205,4.26654295,2.351028296,1.525894669,1.985430587,1.427525125,2.045702563,4.75E-08,6.13E-37,1.53E-87,7.33E-160,6.78E-254,0,0,0,0,0,0,0,0,0,0,0,2.600607385,3.386203908,1.861849295,8.045457924,4.839006396,4.918680024,3.71996943,5.312637361,1.636542112,0.846607209,1.150982387,0.866975643,0.548819194,0.585646981,1.36E-08,1.76E-37,4.37E-88,2.10E-160,1.94E-254,0,0,0,0,0,0,0,0,0,0,0,4.621272806,1.33590423,0.746594242,0.689354188,0.199276523,0.491832741,0.376293436,0.433667418,6.703771278,10.62117197,21.93410095,0.534031282,1.301793596,3.771716044,0.825314699,0.265397327,0.775685725,0.16973304,0.32795088,0.143684134,0.054514157,4.862428071,4.332892367,10.02146322,0.663528588,0.526149171,4.109103674,1.028097605,0.456548546,0.734588389,0.183793991,0.389076844,0.222922385,0.161685289,5.593749825,6.569941419,14.09240781,0.601882584,0.773684517,4.600237435,1.323262819,0.734684554,0.690914651,0.198742278,0.487375855,0.369208989,0.419894759,6.658184809,10.4392273,21.56967441,0.536371977,1.276479603,4.259503944,1.118489197,0.541736891,0.719543615,0.188942602,0.418005493,0.263823971,0.227863819,5.919730032,7.677666428,16.17834431,0.579315422,0.909693284,4.687129742,1.375481315,0.783879287,0.684603279,0.200903126,0.50591728,0.398908155,0.478230035,6.846490344,11.19941461,23.09962127,0.526904919,1.38305547,4.617212206,1.325136899,0.737077841,0.691258733,0.198390806,0.490949453,0.370267439,0.422666778,6.679426946,10.49841211,21.68760432,0.536888099,1.283883669 +UMLMON0185,L,Ethylcyclopentane,CCC1CCCC1,15431,Sandia values from a vairety of sources co -optima database (which are from api report) and biocompoundML since UML source [1] seems reliable would go with these,"Sandia, UML",[1],C7H14,PubChem,,61.2,0,0.9094,0.82700836,34.4366,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1323.6122,1719.157786,1553.732552,720.490514,158.665248,12.192768,0,0,3823.307636,4994.447843,7070.212022,7432.711871,5369.753649,2297.464708,373.0049332,0,0,154.382624,159.970976,299.177704,368.70992,391.4498,319.759488,80.621568,0,0,28.53578067,37.90082034,56.83310387,63.27997278,52.33056464,27.58612058,5.335354858,0,0,3603.201977,3158.070517,6485.816131,8133.2882,9158.108375,8373.178602,2219.011824,0,0,36.55555556,45.19444444,71.83333333,87.58333333,84.66666667,54,12,0,0,53.10626655,60.16419091,40.93232824,29.87947215,12.86590204,3.37585634,1.016064,0,0,173.7867107,227.0203565,168.3383815,142.9367668,95.88845801,48.88222782,31.08374443,0,0,7.017392,7.271408,7.123278667,7.090575385,6.990175,6.803393362,6.718464,0,0,1.297080939,1.722764561,1.35316914,1.216922553,0.934474369,0.586938736,0.444612905,0,0,163.781908,143.5486599,154.4241936,156.4093885,163.5376496,178.1527362,184.917652,0,0,1.661616162,2.054292929,1.71031746,1.684294872,1.511904762,1.14893617,1,0,0,0.032713161,0.005659786,-0.003938683,-0.022572847,-0.021256762,0.01691306,0.008838864,0,0,616.3360458,5.47E-13,34.01854798,-312.170205,-534.2913124,312.170205,192.1047416,0,0,1146.103196,1.85E-13,63.25894262,-580.4938264,-993.5375105,580.4938264,357.2269701,0,0,0.120736,1.75E-15,0.006664,-0.061152,-0.104664,0.061152,0.037632,0,0,5.123614541,1.03E-14,0.282796906,-2.595077495,-4.441574943,2.595077495,1.596970766,0,0,27.8315555,-2.31E-14,1.536157284,-14.09650214,-24.12670558,14.09650214,8.674770547,0,0,2.595959596,-0.361111111,0.412764004,-0.704086318,-2.415977961,1.065197429,0.70523416,0,0,0.001486962,2.57E-04,-9.38E-05,-4.34E-04,-3.80E-04,3.60E-04,7.37E-04,0,0,28.01527481,2.49E-14,0.809965428,-6.003273174,-9.540916294,6.641919256,16.00872846,0,0,52.0955998,8.40E-15,1.5061653,-11.16334282,-17.74174126,12.35093248,29.76891417,0,0,0.005488,7.96E-17,1.59E-04,-0.001176,-0.001869,0.001301106,0.003136,0,0,0.23289157,4.67E-16,0.00673326,-0.049905336,-0.079313838,0.055214415,0.133080897,0,0,1.265070705,-1.05E-15,0.036575173,-0.27108658,-0.430834028,0.299925577,0.722897546,0,0,0.117998163,-0.016414141,0.009827714,-0.013540121,-0.043142464,0.022663775,0.058769513,0,0,0.173012516,-0.063066956,-0.291932975,-0.255275568,0.242005092,0.495353667,0,0,8.88E-16,0.028911565,-0.214285714,-0.340561224,0.237082067,0.571428571,0,0,1.61E-16,0.028911565,-0.214285714,-0.340561224,0.237082067,0.571428571,0,0,1.45E-14,0.028911565,-0.214285714,-0.340561224,0.237082067,0.571428571,0,0,2.00E-15,0.028911565,-0.214285714,-0.340561224,0.237082067,0.571428571,0,0,-8.30E-16,0.028911565,-0.214285714,-0.340561224,0.237082067,0.571428571,0,0,-0.139105058,0.083287011,-0.114748578,-0.365619789,0.19206888,0.498054475,0,0,1.093607207,1.336836535,1.418338675,1.059847466,0.376319795,1.17E-04,0,0,1.3125,1.080357143,1.269230769,1.252232143,0.438829787,0,0,0,1.3125,1.080357143,1.269230769,1.252232143,0.438829787,0,0,0,1.3125,1.080357143,1.269230769,1.252232143,0.438829787,0,0,0,1.3125,1.080357143,1.269230769,1.252232143,0.438829787,0,0,0,1.3125,1.080357143,1.269230769,1.252232143,0.438829787,0,0,0,1.52188716,0.797178988,1.149468722,1.464615759,0.473321467,0,0,0,27.80465723,13.90232861,19.73761932,27.80465723,3.475582153,13.90233197,-5.33E-15,0.058203148,0.007275393,-2.275052672,33.62043725,4.202554656,2.812107307,27.80465723,13.90232861,19.73761932,27.80465723,3.475582153,13.90233197,-5.33E-15,0.058203148,0.007275393,-2.275052672,33.62043725,4.202554656,2.812107307,27.80465723,13.90232861,19.73761932,27.80465723,3.475582153,13.90233197,-5.33E-15,0.058203148,0.007275393,-2.275052672,33.62043725,4.202554656,2.812107307,27.80465723,13.90232861,19.73761932,27.80465723,3.475582153,13.90233197,-5.33E-15,0.058203148,0.007275393,-2.275052672,33.62043725,4.202554656,2.812107307,27.80465723,13.90232861,19.73761932,27.80465723,3.475582153,13.90233197,-5.33E-15,0.058203148,0.007275393,-2.275052672,33.62043725,4.202554656,2.812107307,27.80465723,13.90232861,19.73761932,27.80465723,3.475582153,13.90233197,-5.33E-15,0.058203148,0.007275393,-2.275052672,33.62043725,4.202554656,2.812107307,29.60502546,14.74695717,21.37610268,29.52169212,3.690211515,14.74695857,-0.111111111,0.176071995,0.022008999,-1.389489845,41.19252536,5.14906567,2.974605453,0,11.9,12.10012615,-0.1407896,0.060073449,6.3405,8.496510112,8,22,21,21,7,1,1,0,0,1,15.304898,3.71293732,2.985292931,2.794323602,2.393164335,1.974253101,1.234636055,1.195322508,0.083923071,1.995629999,1.521421577,1.427896794,1.213238522,0.898338466,0.560687771,0.169178302,0.083923071,3.730043233,3.020112768,2.836509094,2.455854331,2.045952967,1.348293412,1.283489205,0.270913902,1.950370214,1.441819188,1.336748356,1.108071618,0.780547699,0.40782293,0.069391593,0.270913902,3.808556457,3.176550112,3.02504491,2.719840825,2.345177612,1.803388954,1.634049502,0.943918427,1.824888124,1.208294804,1.062956524,0.769952849,0.401567678,0.114544532,0.304017635,0.943918427,3.74281971,3.04596472,2.867804894,2.501480967,2.097974459,1.429723179,1.346665065,0.399277246,1.922223225,1.391077792,1.27806659,1.038665664,0.702836693,0.3046464,7.47E-04,0.399277246,3.848787061,3.254206826,3.117516791,2.840506963,2.480809789,1.998810223,1.780392538,1.207644823,1.788145951,1.136470764,0.976981992,0.654949491,0.271990714,0.304883301,0.448494359,1.207644823,3.753339859,3.085439386,2.958675847,2.588456253,2.196866629,1.532266155,1.440710852,0.6,1.910240996,1.30413227,1.18607468,0.907713319,0.589796609,0.168355165,0.110558057,0.6,0,0,0,0,2,2,4,0,0,0,0,0,0.083333333,0.166666667,0,0,0,0.0625,0.125,0.471404521,0,0.166666667,0,0.353553391,0,0.125,0,1.138071187,1.040440115,1.138071187,0.853553391,0.780330086,0.853553391,5.983127663,3.804530453,3.239024819,2.540336414,1.501661279,1.024377395,0.333333333,0.083333333,0.747890958,0.475566307,0.323902482,0.230939674,0.150166128,0.102437739,0.083333333,0.083333333,5.828427125,3.457106781,2.767766953,2.082106781,1.207106781,0.801776695,0.25,0.0625,0.728553391,0.432138348,0.276776695,0.189282435,0.120710678,0.08017767,0.0625,0.0625,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.82299,36.572,31.15378298,42.72358734,62.30756596,7.788445745,31.15378298,2.22E-16,2.78E-17,-28.83492271,41.24325189,5.155406487,2.975590007,54,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,4,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.270833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.067361111,1.161111111,0,0,0,0,0,0,0,0,0,0,4.516851852,0,5.545648148,0,0,0,0,0,0,3.270833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.635416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.243402778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.258425926,0,1.353009259,0,0,0,0,0,0,1.635416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.635416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290277778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.258425926,0,1.419814815,0,0,0,0,0,0,1.635416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.666666667,0.290277778,2.258425926,0.026041667,1.353009259,4.163094907,0.146990741,0.258425926,1.033703704,0.146990741,0.258425926,1.033703704,4,0.5,0,0,0.44545,0.7,0.43333,0.43333,0.7,0.01212,0.01212,0,0,0.71429,0,0,0.25,0.25,0,5,0.625,4,0.5,1,0.125,-3,-0.375,0,0,7.52084,0.9401,8.47399,0.95315,0.11914,3.22688,0.40336,3.80452,0.57763,0.0722,0.10948,0.01369,0.19548,0.02444,0.272727273,8,0,0,0,0,0,0,0.75,0.945660305,1.672933032,2.663532755,2.663532755,2.663532755,2.663532755,20.8045267,36.8045267,58.59772061,58.59772061,58.59772061,58.59772061,0.212058483,0.375144901,0.597280771,0.597280771,0.597280771,0.597280771,3.513771314,2.786498587,1.795898864,1.795898864,1.795898864,1.795898864,0.209052139,0.369826488,0.588813148,0.588813148,0.588813148,0.588813148,6.786633838,15.51390657,16.51225776,16.51225776,16.51225776,16.51225776,31.28312609,20.90511218,21.74036979,21.74036979,21.74036979,21.74036979,6.125,2.52,1.487603306,0,2,0,2.34,1.0842,0.333333333,2.746356192,2.828427125,0,3.965406457,4.298279727,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.329,0.4,4.016,10,11,10,10,4,1,0,0,0,62,2.302585093,2.708050201,2.890371758,2.833213344,2.890371758,1.945910149,0.693147181,0,0,0,4.48863637,1.419354839,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,1.5,1.111111111,0.375,0.222222222,0,0,0,0,0,0,0.1875,0.111111111,0.046875,0.111111111,0,0,0,0,0,0,0.456597222,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,4.44E-16,5.55E-17,-28.28040497,30.83444818,3.854306023,2.74290601,0,131.9314183,4,3.610917913,4.369447852,5.153291594,5.932245187,6.717804695,7.501634458,8.287276756,9.072341874,9.857914707,76.50287504,2.833213344,0,4.043051268,0,5.476463552,0,7.00033446,0,8.555836815,8.796490207,110.1095504,5.004979566,15.53340973,1.941676217,0,0,0,60,8,3.022,36,1.275499099,2.222167814,3.095727616,3.854731336,4.63871771,5.476807155,0,0,0,0,90.40553411,103.6177096,101.4101614,54.37132889,16.48961697,5.564786585,0,0,0,0,321.4947716,409.1233575,467.3837464,389.8419289,233.0108345,170.2396739,0,0,0,0,9.318404158,15.9040783,22.00463558,27.01757846,31.58889213,36.79573171,0,0,0,0,2.370630693,3.217496739,3.917465295,3.745576794,2.772701118,2.435059138,0,0,0,0,180.373627,337.8319774,480.3404964,624.8012631,824.0209359,1012.75832,0,0,0,0,2.705769373,3.948736216,5.335079044,5.952747197,5.384054754,5.476807155,0,0,0,0,0.489050288,0.672511154,0.827805434,0.809096425,0.62110755,0.560825053,0,0,0,0,297.2318405,117.7070795,8.380303153,55.09803736,-21.81942907,-2.634610381,242.1338032,139.5265085,11.01491353,0.843618039,0.334082026,0.023785389,0.156381961,-0.061928977,-0.007477681,104.7236581,41.47172093,2.952631187,19.41268477,-7.687636779,-0.928251954,0.078275021,0.185937935,1.906495784,0.491189773,352.3298779,0,1,0,489.7296186,22.12983548,7.882284818,625.3481237,25.00696151,8.551466861,823.0135674,28.68821304,9.371353741,1.686046537,1.686046537,435.5621875,290.8248631,177.492561,1.497678647,2.453974324,1.638518603,4.013448674,4.090360549,6.188277901,0.512893015,3.904753167,4.841208199,3.381878436,16.47429516,14.2976071,7.75889771,6.962179208,14.69338912,5.768952381,4.772189346,2.689763045,6.46E-05,2.43E-29,1.88E-75,2.82E-143,8.14E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327832077,4.265729519,0.347614182,5.724639604,4.552462624,0.457499485,1.140540382,2.929807669,0.202183007,0.143568586,0.018944222,4.55E-07,1.71E-31,1.33E-77,1.98E-145,5.73E-235,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.057957927,4.304184645,0.899835213,7.336470031,5.705351641,1.602358304,2.028977945,4.32459716,0.838466293,0.632754208,0.197413391,4.74E-06,1.78E-30,1.38E-76,2.07E-144,5.97E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.68577662,4.778025858,3.172372109,15.61017391,13.40516013,7.189680565,6.499693967,13.61719718,5.251270705,4.327647163,2.396530448,5.76E-05,2.16E-29,1.68E-75,2.51E-143,7.25E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559166434,4.354043283,1.298852001,8.615868729,6.7450894,2.490857722,2.72790396,5.580899868,1.423719038,1.103846195,0.428808264,1.03E-05,3.87E-30,3.00E-76,4.49E-144,1.30E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715524757,5.10688131,4.184553365,19.90768456,17.93785901,10.00523646,8.795009622,19.08229322,7.886537707,6.60113826,3.922766611,9.42E-05,3.54E-29,2.74E-75,4.11E-143,1.19E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.409846192,4.509475531,1.922074352,10.56369977,8.395651879,4.046632156,3.936601016,8.377456969,2.456526037,2.232877272,0.968314699,2.33E-05,8.74E-30,6.78E-76,1.01E-143,2.93E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.491666701,2.233524734,0.533336928,0.557905389,0.356876985,0.598560369,0.591046432,0.371993216,6.258528363,10.85217995,21.27005579,0.372173561,1.561600017,2.494267931,1.463899549,0.148702523,0.607340366,0.356451397,0.305472655,0.253815233,0.028648492,4.106870003,4.23994719,8.889783296,0.445687644,0.58793638,2.874067158,1.756927619,0.295221772,0.583422821,0.356648475,0.405563906,0.365640124,0.113415391,4.926216549,6.416698452,12.83364559,0.410106945,0.884619421,3.465258923,2.213144117,0.523158256,0.558772018,0.356868861,0.589541755,0.580303776,0.357868201,6.201561297,10.63982083,20.85354422,0.373461319,1.527713732,3.050090608,1.892753042,0.363103062,0.574843807,0.356722965,0.456754973,0.424385169,0.171849493,5.305946712,7.567829942,14.96999542,0.397350158,1.052989635,3.574948884,2.297800014,0.565435994,0.55527279,0.356901837,0.627450772,0.625572,0.418336929,6.438184892,11.53518121,22.61815002,0.368261939,1.671359702,3.471256072,2.217073506,0.524061151,0.558763321,0.356879276,0.591558846,0.582329133,0.359153752,6.212390729,10.67706242,20.92264342,0.373463895,1.533041732 +UMLMON0186,L,"1,2-dimethylcyclohexene",CC1=C(CCCC1)C,15480,,UML,[1],C8H14,PubChem,,72.2,0,-0.8956,0.80209936,29.2515,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1670.734305,1449.939631,815.395899,344.245273,76.792464,6.096384,0,3885.475125,5223.921076,7533.504307,7736.008113,5561.508657,2962.341864,1071.022993,186.5024666,0,167.819552,174.20624,341.85978,482.900092,437.30526,308.741284,143.083584,40.310784,0,29.42500648,40.12790896,62.50794544,69.83196788,54.44248504,31.71690749,12.68152803,2.667677429,0,3973.037281,3464.315612,7399.084504,11271.42137,10553.38416,7818.039585,3724.295171,1109.505912,0,35.27777778,43.33333333,74.16666667,95.33333333,84.41666667,56,24.5,6,0,48.76541633,56.15943233,34.80696469,21.01361784,12.94279205,7.649894956,3.656784,1.016064,0,161.8947969,217.6633782,156.9480064,112.1160596,88.2779152,65.8298192,51.00109489,31.08374443,0,6.992481333,7.258593333,7.12207875,6.998552058,6.941353333,6.860917422,6.813504,6.718464,0,1.226041937,1.671996207,1.302248863,1.012057505,0.864166429,0.704820166,0.603882287,0.444612905,0,165.54322,144.3464838,154.1475938,163.3539329,167.5140344,173.734213,177.3473891,184.917652,0,1.469907407,1.805555556,1.545138889,1.381642512,1.33994709,1.244444444,1.166666667,1,0,0.032865025,-0.001666055,-0.011594894,-0.005843866,-0.007829465,0.003877311,0.002993426,0.003631031,0,645.6853813,6.61E-13,-201.7766817,-161.4213453,-201.7766817,80.71067267,80.71067267,80.71067267,0,1200.679538,0,-375.2123557,-300.1698846,-375.2123557,150.0849423,150.0849423,150.0849423,0,0.126485333,2.94E-15,-0.039526667,-0.031621333,-0.039526667,0.015810667,0.015810667,0.015810667,0,5.367596186,1.23E-14,-1.677373808,-1.341899046,-1.677373808,0.670949523,0.670949523,0.670949523,0,29.15686767,-1.14E-13,-9.111521147,-7.289216918,-9.111521147,3.644608459,3.644608459,3.644608459,0,1.828703704,-0.347222222,-0.601851852,0.052662037,-0.337384259,0.071180556,0.052662037,0.195601852,0,0.001369376,-6.94E-05,-2.42E-04,-8.47E-05,-1.24E-04,8.62E-05,1.43E-04,6.05E-04,0,26.90355756,2.75E-14,-4.203680868,-2.339439787,-3.202804471,1.793570504,3.843365365,13.45177878,0,50.0283141,0,-7.816924078,-4.350288182,-5.955751678,3.33522094,7.146902014,25.01415705,0,0.005270222,1.22E-16,-8.23E-04,-4.58E-04,-6.27E-04,3.51E-04,7.53E-04,0.002635111,0,0.223649841,5.11E-16,-0.034945288,-0.019447812,-0.026624981,0.014909989,0.031949977,0.111824921,0,1.214869486,-4.74E-15,-0.189823357,-0.105640825,-0.14462732,0.080991299,0.173552784,0.607434743,0,0.076195988,-0.014467593,-0.01253858,7.63E-04,-0.005355306,0.00158179,0.002507716,0.032600309,0,-0.050693872,-0.17640172,-0.061848398,-0.090754632,0.062920968,0.104094184,0.44193255,0,1.02E-15,-0.15625,-0.086956522,-0.119047619,0.066666667,0.142857143,0.5,0,0,-0.15625,-0.086956522,-0.119047619,0.066666667,0.142857143,0.5,0,2.32E-14,-0.15625,-0.086956522,-0.119047619,0.066666667,0.142857143,0.5,0,2.29E-15,-0.15625,-0.086956522,-0.119047619,0.066666667,0.142857143,0.5,0,-3.90E-15,-0.15625,-0.086956522,-0.119047619,0.066666667,0.142857143,0.5,0,-0.189873418,-0.164556962,0.010016511,-0.070283303,0.020759494,0.032911392,0.427848101,0,1.489122222,1.312816003,1.010163939,1.001251096,0.723011392,0.566900348,0.004224615,0,1.4375,1.34765625,1.0625,0.992559524,0.670833333,0.513392857,0,0,1.4375,1.34765625,1.0625,0.992559524,0.670833333,0.513392857,0,0,1.4375,1.34765625,1.0625,0.992559524,0.670833333,0.513392857,0,0,1.4375,1.34765625,1.0625,0.992559524,0.670833333,0.513392857,0,0,1.4375,1.34765625,1.0625,0.992559524,0.670833333,0.513392857,0,0,1.688607595,1.135443038,0.802531646,1.045328511,0.943291139,0.823508137,0,0,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,36.08995721,17.89017551,26.87195345,36.04308221,4.505385276,17.89017558,-0.09375,0.061027138,0.007628392,-2.237149297,50.07914531,6.259893164,3.130883728,0,11.9,12.10012615,-0.151273816,0.048868363,5.483683559,8.440005411,8,24,24,24,8,0,0,0,0,0,17.491312,3.638638944,3.100978895,2.750129472,2.552099332,1.716672328,1.456797487,1.243289836,0.880330962,2.002253948,1.648590297,1.372874417,1.256911807,0.816601941,0.666206401,0.560038642,0.34407524,3.663136432,3.138355093,2.792995694,2.602603315,1.804832855,1.556142907,1.35571534,1.01303218,1.948817412,1.57043837,1.285229005,1.161173652,0.682374106,0.522081792,0.407714027,0.181674237,3.770748098,3.302851471,2.981537655,2.821160048,2.16948975,1.9628467,1.806651079,1.526992008,1.792228366,1.335571047,1.018928274,0.863796018,0.237288442,0.037619229,0.111876679,0.382625301,3.681174793,3.165923945,2.824624264,2.639679926,1.868680449,1.62787375,1.436300009,1.106883605,1.914853167,1.520179056,1.228596505,1.098791895,0.592726987,0.425347018,0.304963532,0.071464617,3.823158968,3.38252605,3.072480534,2.924462786,2.331931225,2.141548494,2.000733801,1.741325713,1.743488171,1.261232024,0.933903671,0.766506013,0.080989445,0.135164289,0.30076327,0.593182778,3.68982186,3.277623729,2.872367319,2.74133094,2.021881544,1.76481714,1.589106111,1.273980694,1.885854115,1.399854449,1.143195518,0.960854844,0.406220799,0.250745698,0.11803023,0.123015505,0,0,0,0,0,1,6,1,0,0,0,0,0.102062073,0.072168784,0,0,0,0.102062073,0.072168784,0.204124145,0,0,0,0.204124145,0,0,0,0.49279928,0.594861352,0.49279928,0.49279928,0.594861352,0.49279928,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.9767,36.866,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,1,0,6,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,2.315462963,0,8.931064815,0,0,0,1.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.315462963,0,1.416666667,0,0,0,1.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.315462963,0,1.510416667,0,0,0,1.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.33333333,1.541666667,0.2,2.315462963,0.2,1.086805556,5.766945602,0.246527778,0.315462963,0.672592593,0.246527778,0.315462963,0.672592593,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.125,0.125,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.02289,1.00286,8.02289,0,0,3.93185,0.49148,3.93185,0,0,-0.01785,-0.00223,0.06815,0.00852,0.25,8,0,0,0,0,0,0,1,0.918295834,1.272055209,2.177694271,2.803508855,3.022055209,2.621653522,22.03910002,30.52932501,52.26466251,67.28421252,72.52932501,62.91968454,0.200284263,0.277440701,0.474964467,0.611457314,0.659123212,0.571793885,3.666666667,3.312907292,2.40726823,1.781453646,1.562907292,1.963308978,0.200284263,0.277440701,0.474964467,0.611457314,0.659123212,0.571793885,6.73287657,10.97798907,14.41423191,16.87697267,15.8354706,13.2084235,31.59900002,26.53208126,23.53333386,20.31328386,21.55213073,25.91927858,6.125,3.111111111,1.8,2,0,2,2.34,1.1272,0,2.00414513,0.5,0,7.732315986,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,3.894,9,10,10,10,4,2,0,0,0,61,2.197224577,2.302585093,2.397895273,2.397895273,2.397895273,1.609437912,1.098612289,0,0,0,4.127134385,1,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,2,0.25,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,0,134.567877,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,112.1252005,4.671883355,15.69266546,1.961583183,0,0,0,64,7,4.491,34,1.224166127,2.09537562,2.804834728,3.523444903,4.011401076,4.603236608,5.359741897,0,0,0,78.54273178,80.84874126,62.70646424,47.75628327,32.73388417,17.49019423,5.445840791,0,0,0,289.3400736,350.3255304,329.6663809,316.3518511,273.0975439,239.7266082,166.6008473,0,0,0,8.917064339,14.9674467,19.68213687,24.4661223,27.55517836,31.38782208,36.00923299,0,0,0,2.17096299,2.856190846,2.94495335,3.074689391,2.892108438,2.819447784,2.383010414,0,0,0,174.752874,319.8998773,454.1517758,589.6546239,694.3347566,814.4881079,991.1108871,0,0,0,2.26269873,3.307614664,3.947346105,4.726698278,5.046382926,5.425946435,5.359741897,0,0,0,0.449298446,0.600529567,0.629752844,0.666959671,0.636627062,0.630335141,0.54883757,0,0,0,333.4456336,138.8618521,8.651530001,82.80429929,-34.48345759,-4.414359259,250.6413343,173.3453097,13.06588926,0.80107072,0.333602101,0.02078446,0.19892928,-0.082843155,-0.010605069,138.7967226,57.80123662,3.601198782,34.46728402,-14.35373691,-1.837476745,0.071732167,0.155914138,1.261555649,1.235628924,416.2499329,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,939.6153436,30.65314574,9.79452472,1.415868361,1.241251818,355.1804338,291.6071816,145.3204218,1.218009899,2.444119206,2.006649706,3.71989429,3.779648656,6.126310731,0.620867781,5.243051683,6.014024931,8.513915367,13.18809304,17.55879253,12.43889378,9.700408074,7.298739803,6.162004989,0.651560198,1.479305349,8.62E-07,7.06E-34,1.12E-82,3.40E-153,2.00E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380612772,5.574192587,0.653170922,4.643853419,0.976697237,1.702879483,1.183325619,0.799535726,0.266661521,0.007844858,0.010418869,6.07E-09,4.97E-36,7.86E-85,2.40E-155,1.41E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.266797814,5.603583911,2.124525578,5.393484148,3.427454621,3.385652578,1.940256922,1.451372632,1.025859602,0.056185781,0.108572643,6.32E-08,5.18E-35,8.19E-84,2.50E-154,1.47E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.907756237,5.965735494,7.985567707,12.31322416,16.21322965,11.60168985,8.831745494,6.662145119,5.643964643,0.582770263,1.318034433,7.68E-07,6.29E-34,9.94E-83,3.03E-153,1.78E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.906711325,5.641690531,3.17411155,6.203349214,5.387147199,4.691860079,2.751319974,2.099197116,1.678907721,0.114031088,0.235834289,1.37E-07,1.13E-34,1.78E-83,5.42E-154,3.19E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.527214959,6.217075305,10.52364848,16.8267774,22.91597208,15.74300603,13.3109542,9.926809821,8.258486401,0.939619583,2.157427824,1.26E-06,1.03E-33,1.63E-82,4.96E-153,2.92E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.301511198,5.560300223,5.236860804,8.436831646,9.662088603,7.782191242,5.078698126,4.016452652,3.361698908,0.283109622,0.622410432,3.63E-07,2.97E-34,4.70E-83,1.43E-153,8.42E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.889365727,1.485315347,0.834371974,0.554681571,0.285141144,0.50704049,0.542585153,0.434089471,5.209053049,7.941730544,16.73159043,0.332022356,1.483715113,2.241579503,0.932625616,0.366139398,0.63315293,0.263427927,0.306404037,0.213186479,0.083386356,3.540344517,3.252756015,7.558534884,0.449729395,0.602976873,2.498542509,1.152109781,0.552449091,0.594452116,0.274109444,0.37996846,0.325837073,0.1902391,4.203101381,4.895394803,10.68877352,0.391678174,0.896044633,2.873297956,1.471630168,0.822812403,0.556006622,0.284772457,0.501454206,0.53259703,0.422162277,5.167740527,7.803492705,16.45043949,0.334009934,1.456213513,2.613220814,1.249955745,0.635342836,0.580906868,0.277859366,0.415352855,0.38376552,0.251715999,4.498519395,5.72085192,12.29466174,0.371360302,1.050834374,2.939678728,1.528160414,0.870552383,0.550667502,0.286258587,0.524733949,0.57445701,0.4724786,5.338391524,8.381788671,17.63096324,0.326001254,1.571669558,2.882852765,1.474154767,0.82555369,0.556260243,0.28444522,0.504634157,0.534419918,0.424939618,5.182561222,7.846714793,16.53769027,0.334390365,1.463993693 +UMLMON0187,L,Ethylcyclohexane,CCC1CCCCC1,15504,,"Sandia, UML",[9],C8H16,PubChem,,40.8,0,-0.64,0.4096,33.7033,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,1864.442842,1646.69636,1133.218637,728.614155,338.148889,76.792464,6.096384,4371.159516,5876.91121,8447.051418,8742.806458,6793.434416,4696.184854,2775.839397,1071.022993,186.5024666,188.796996,195.98202,384.589288,545.784992,500.213876,374.044908,268.4305,143.083584,40.310784,33.10313229,45.14389758,70.19563559,78.85349674,64.47043818,45.75844906,29.04923006,12.68152803,2.667677429,4469.666941,3897.355064,8323.286703,12750.37653,12037.80623,9111.691027,6708.533673,3724.295171,1109.505912,39.52777778,48.58333333,83.5,107.1666667,94.91666667,72.25,50,24.5,6,48.76541633,56.15943233,34.5267193,21.11149179,15.73914774,13.49285472,8.670484333,3.656784,1.016064,161.8947969,217.6633782,156.4268781,112.0872623,94.35325577,86.96638618,71.17536916,51.00109489,31.08374443,6.992481333,7.258593333,7.122023852,6.997243487,6.947414944,6.926757556,6.882833333,6.813504,6.718464,1.226041937,1.671996207,1.299919178,1.010942266,0.895422753,0.847378686,0.744852053,0.603882287,0.444612905,165.54322,144.3464838,154.134939,163.4663657,167.1917532,168.735019,172.0136839,177.3473891,184.917652,1.46399177,1.799382716,1.546296296,1.373931624,1.318287037,1.337962963,1.282051282,1.166666667,1,0.037069505,-0.00163772,-0.013958174,-0.007365088,-0.001077498,-3.91E-04,-6.90E-04,0.002954977,0.003629962,726.396054,7.32E-13,-242.132018,-161.4213453,-80.71067267,-40.35533633,-5.01E-13,80.71067267,80.71067267,1350.764481,-5.26E-13,-450.2548269,-300.1698846,-150.0849423,-75.04247115,7.11E-15,150.0849423,150.0849423,0.142296,2.04E-15,-0.047432,-0.031621333,-0.015810667,-0.007905333,-1.12E-15,0.015810667,0.015810667,6.038545709,1.65E-14,-2.01284857,-1.341899046,-0.670949523,-0.335474762,-9.33E-15,0.670949523,0.670949523,32.80147613,-2.00E-13,-10.93382538,-7.289216918,-3.644608459,-1.822304229,1.11E-13,3.644608459,3.644608459,1.995884774,-0.345679012,-0.602880658,-0.363625972,0.268175583,-0.062757202,-0.129858253,0.046410608,0.192272519,0.001372945,-6.07E-05,-2.58E-04,-9.44E-05,-1.50E-05,-7.24E-06,-1.77E-05,1.41E-04,6.05E-04,26.90355756,2.71E-14,-4.483926259,-2.069504427,-1.120981565,-0.747321043,-1.28E-14,3.843365365,13.45177878,50.0283141,-1.95E-14,-8.33805235,-3.848331854,-2.084513087,-1.389675392,1.82E-16,7.146902014,25.01415705,0.005270222,7.55E-17,-8.78E-04,-4.05E-04,-2.20E-04,-1.46E-04,-2.88E-17,7.53E-04,0.002635111,0.223649841,6.11E-16,-0.037274974,-0.017203834,-0.009318743,-0.006212496,-2.39E-16,0.031949977,0.111824921,1.214869486,-7.40E-15,-0.202478248,-0.093451499,-0.050619562,-0.033746375,2.85E-15,0.173552784,0.607434743,0.073921658,-0.012802926,-0.011164457,-0.004661871,0.003724661,-0.00116217,-0.003329699,0.002210029,0.03204542,-0.044179719,-0.18827031,-0.068774959,-0.010900115,-0.005272312,-0.012892493,0.102490081,0.440654094,1.01E-15,-0.166666667,-0.076923077,-0.041666667,-0.027777778,-4.77E-16,0.142857143,0.5,-3.89E-16,-0.166666667,-0.076923077,-0.041666667,-0.027777778,3.64E-18,0.142857143,0.5,1.43E-14,-0.166666667,-0.076923077,-0.041666667,-0.027777778,-5.47E-15,0.142857143,0.5,2.73E-15,-0.166666667,-0.076923077,-0.041666667,-0.027777778,-1.07E-15,0.142857143,0.5,-6.09E-15,-0.166666667,-0.076923077,-0.041666667,-0.027777778,2.34E-15,0.142857143,0.5,-0.173195876,-0.151030928,-0.063065028,0.050386598,-0.015721649,-0.045043616,0.029896907,0.433505155,1.490006862,1.335971829,1.014712935,0.899664261,0.922097328,0.844236315,0.569520263,0.004250454,1.444444444,1.364197531,1.055555556,0.93287037,0.882716049,0.777777778,0.515873016,0,1.444444444,1.364197531,1.055555556,0.93287037,0.882716049,0.777777778,0.515873016,0,1.444444444,1.364197531,1.055555556,0.93287037,0.882716049,0.777777778,0.515873016,0,1.444444444,1.364197531,1.055555556,0.93287037,0.882716049,0.777777778,0.515873016,0,1.444444444,1.364197531,1.055555556,0.93287037,0.882716049,0.777777778,0.515873016,0,1.675257732,1.145876289,0.888402062,0.751353093,1.08556701,1.127319588,0.852945508,0,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,47.01947686,23.35246984,35.77305197,46.9671792,5.218575466,23.35246984,-0.094135802,0.102001372,0.011333486,-2.054492115,60.42094305,6.713438117,3.691202206,0,11.9,12.1001487,-0.15127037,0.048894141,5.305339789,8.754380452,9,27,27,27,9,0,0,0,0,0,19.677726,3.647140482,3.219455432,2.750129472,2.750129472,2.139618252,1.456797487,1.456797487,1.217470913,2.00709515,1.732765063,1.372874417,1.372874417,1.042600721,0.666206401,0.666206401,0.554117655,3.671375225,3.254744234,2.792995694,2.792995694,2.208065273,1.556142907,1.556142907,1.333166878,1.954149085,1.659580172,1.285229005,1.285229005,0.92664415,0.522081792,0.522081792,0.40079495,3.777847985,3.409272454,2.981537655,2.981537655,2.498084193,1.9628467,1.9628467,1.793350348,1.799105768,1.439907919,1.018928274,1.018928274,0.553346211,0.037619229,0.037619229,0.124006526,3.689220616,3.280722665,2.824624264,2.824624264,2.258008815,1.62787375,1.62787375,1.415821611,1.920507121,1.612560919,1.228596505,1.228596505,0.850035057,0.425347018,0.425347018,0.297260455,3.829719829,3.483840753,3.072480534,3.072480534,2.631210132,2.141548494,2.141548494,1.990035365,1.750873166,1.37026739,0.933903671,0.933903671,0.426596575,0.135164289,0.135164289,0.315806421,3.695193978,3.381381152,2.909049071,2.875016701,2.395729905,1.775724201,1.76714593,1.576445279,1.8929542,1.502701124,1.140639906,1.111884327,0.677472207,0.248510677,0.241059616,0.105111035,0,0,0,0,0,1,7,1,0,0,0,0,0.102062073,0.072168784,0,0,0,0.102062073,0.072168784,0.204124145,0,0,0,0.204124145,0,0,0,0.433012702,0.65464793,0.637136847,0.433012702,0.65464793,0.637136847,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.3668,41.483,37.50463196,54.26687178,75.00926391,8.334362657,37.50463196,0.136437528,0.015159725,-1.792699594,35.3218919,3.924654656,3.208052645,81,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,1,0,7,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,2.300204082,0,10.43243481,0,0,0,1.100694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.300204082,0,1.393518519,0,0,0,1.100694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.300204082,0,1.521666667,0,0,0,1.100694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.83333333,1.537037037,0.2,2.300204082,0.2,1.100694444,6.489916879,0.232638889,0.300204082,0.706018519,0.232638889,0.300204082,0.706018519,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.11111,0.11111,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,9.45555,1.05062,9.45555,0,0,4.43185,0.49243,4.43185,0,0,-0.01785,-0.00198,0.06815,0.00757,0.222222222,9,0,0,0,0,0,0,1,0.918295834,1.247104744,2.252382635,3.105653242,3.259904985,2.875076854,24.79398752,33.67182808,60.81433114,83.85263755,88.01743458,77.62707506,0.193126721,0.262278496,0.473698407,0.653149678,0.68559035,0.604657177,3.836591668,3.507782759,2.502504867,1.64923426,1.494982518,1.879810648,0.193126721,0.262278496,0.473698407,0.653149678,0.68559035,0.604657177,6.73287657,10.67858349,15.82059603,17.80210667,16.63642306,15.43434845,35.54887502,30.33929922,23.96075827,21.47958936,22.91350502,25.1084403,7.111111111,3.92,2.380165289,3,0,3,2.45,1.2681,0,2.085481947,0.333333333,0,9.563073858,4.445544946,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,4.393,10,11,12,12,6,4,2,0,0,75,2.302585093,2.397895273,2.48490665,2.564949357,2.564949357,1.945910149,1.609437912,1.098612289,0,0,4.33073334,1,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.222222222,3,0.333333333,1,3,6,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.04,0,0,0,0,0.111111111,0.044444444,0.0234375,0.030222222,0.030092593,0.04,0,0,0,0,0.27930787,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,0,151.8638616,4.169925001,3.663561646,4.394449155,5.153291594,5.905361848,6.673297968,7.430707083,8.200562797,8.959440144,9.729669736,78.11034197,2.944438979,0,4.077537444,0,5.433722004,0,6.886531643,0,8.379997952,8.639410824,126.1408506,4.671883355,17.70058553,1.966731726,0,0,0,94,8,5.06,38,1.22699952,2.102660164,2.813249694,3.536616865,4.185726271,4.839380925,5.818571873,7.033430929,0,0,78.95148878,80.48584787,64.39716888,60.70102619,62.9354078,47.71045708,22.94728141,7.146415963,0,0,290.5400635,350.354845,332.9214789,348.6513742,384.5054268,368.9167075,309.3494916,218.6253695,0,0,8.938429587,15.01941066,19.73815481,24.60655538,29.04818235,33.39656385,39.70496709,47.25385249,0,0,2.17886504,2.860848416,2.961447741,3.259816517,3.678166202,3.778504474,3.61445623,3.127154156,0,0,175.1121323,320.9783708,455.8527342,588.6551804,702.2255793,825.6393825,1027.121011,1300.605533,0,0,2.261871093,3.321809198,3.941138566,4.732459675,5.708772528,6.371511819,6.901467372,7.033430929,0,0,0.45089223,0.601650815,0.632926132,0.703073914,0.796354051,0.826845369,0.807168253,0.720223327,0,0,362.4255168,170.0609301,9.36471338,84.31383456,-39.56258172,-4.515393867,278.1116822,209.6235118,13.88010725,0.811268396,0.38067148,0.020962365,0.188731604,-0.088558533,-0.010107446,161.9097403,75.97290959,4.183585981,37.66630776,-17.67416209,-2.017204127,0.063677283,0.138863406,1.119894183,1.310120061,446.7393514,0,1,0,620.8036052,24.91593075,8.530701456,795.1702547,28.19876335,9.264458536,1065.609694,32.64367771,10.21408312,1.491001818,1.442559414,546.8135834,492.8780426,159.6464513,1.10942979,3.425153387,3.087309731,4.178127543,4.301363014,7.285318514,0.693723243,5.020829967,7.856395922,8.518371581,14.92374289,18.49787271,9.022398136,12.29566,13.32567637,7.129792284,3.638205135,3.06210891,2.372835368,2.305700509,0.009974898,6.57E-23,8.36E-65,2.05E-128,9.70E-214,8.85E-321,0,0,0,0,0,0,0,0,0,0,0,0.421931389,6.528963271,0.638477052,5.643913548,1.008805835,1.546618387,1.774232507,1.959061803,0.452720353,0.225986165,0.592521029,0.142877237,0.016240519,7.03E-05,4.63E-25,5.88E-67,1.44E-130,6.83E-216,6.4E-323,0,0,0,0,0,0,0,0,0,0,0,1.360664627,6.6176658,2.087020611,6.46141896,3.561878299,2.795232573,2.822443568,3.777129059,1.257080305,0.781454234,0.957803412,0.498295397,0.169228667,7.32E-04,4.82E-24,6.13E-66,1.50E-129,7.12E-215,6.47E-322,0,0,0,0,0,0,0,0,0,0,0,4.739288689,7.710655744,7.979398902,13.97473562,17.06748771,8.466618364,11.2626015,12.45219363,6.523422178,3.379416761,2.861815014,2.201025789,2.054338526,0.008887455,5.85E-23,7.44E-65,1.83E-128,8.64E-214,7.885E-321,0,0,0,0,0,0,0,0,0,0,0,2.005075568,6.732672521,3.128881212,7.342306977,5.616397099,3.73471857,3.868453085,5.174259446,1.975100016,1.20464292,1.249774815,0.771900769,0.367584122,0.001590221,1.05E-23,1.33E-65,3.27E-129,1.55E-214,1.413E-321,0,0,0,0,0,0,0,0,0,0,0,6.063250599,8.46921352,10.57817714,18.86997618,24.20237601,11.19160597,16.56222764,16.76147161,9.599272976,4.653033769,3.859464926,3.049041618,3.362643317,0.014547452,9.58E-23,1.22E-64,2.99E-128,1.41E-213,1.2905E-320,0,0,0,0,0,0,0,0,0,0,0,3.345420989,6.875533994,5.118684202,9.69545247,10.04870925,5.674050906,6.713307382,8.425553634,3.986995032,2.092770559,2.165202268,1.514665477,0.975972031,0.00422221,2.78E-23,3.54E-65,8.68E-129,4.10E-214,3.745E-321,0,0,0,0,0,0,0,0,0,0,0,4.3022739,1.38364657,0.877642221,0.65547845,0.210807245,0.478784388,0.511651514,0.407214877,6.56356269,10.94303039,22.73104497,0.483217675,1.397650779,3.501241792,0.847000919,0.419961299,0.734289427,0.17763521,0.317579078,0.191438602,0.093133508,4.768204011,4.791648674,10.80527102,0.601434141,0.602151188,3.819255417,1.060153892,0.601852894,0.69678393,0.193414191,0.377621766,0.30011216,0.191426803,5.481262203,6.985685108,14.90384877,0.545175894,0.869160729,4.282430217,1.370362132,0.866322319,0.656903649,0.210206784,0.474391414,0.50185726,0.396777849,6.519114668,10.76562038,22.36873043,0.485355474,1.373026523,3.961064958,1.155158396,0.682878235,0.683048037,0.199196096,0.406075155,0.356406884,0.24648775,5.799101588,8.069415015,16.99313348,0.524572056,1.008969789,4.364402807,1.425236192,0.913078583,0.651139296,0.212635573,0.492669788,0.542927876,0.440760226,6.702717581,11.50670021,23.88904491,0.476708944,1.47635789,4.300435464,1.37262968,0.868564861,0.657395093,0.209829917,0.47833197,0.503496387,0.39883673,6.541630005,10.83033039,22.49901656,0.486092639,1.380665087 +UMLMON0188,L,n-Propylcyclohexane,CCCC1CCCCC1,15505,,"Sandia, UML",[1],C9H18,PubChem,,14,0,0.6234,0.38862756,37.4211,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,2106.57486,2142.986675,1207.898164,309.116304,27.433728,0,0,4371.159516,5876.91121,8897.306245,10422.02316,8466.260353,4087.991143,839.2610996,0,0,188.796996,195.98202,384.63672,550.646156,627.5092,512.267328,181.398528,0,0,33.10313229,45.14389758,72.20848416,89.89994645,82.16994867,47.39352737,12.00454843,0,0,4469.666941,3897.355064,8334.220529,12385.23601,14852.13539,13201.12671,4992.776605,0,0,42.08333333,51.05555556,84.36111111,120.6666667,132.5,91.5,27,0,0,48.76541633,56.15943233,39.01064556,27.47418814,13.42109071,4.12155072,1.016064,0,0,161.8947969,217.6633782,164.7649305,133.6156816,94.06955948,54.50654857,31.08374443,0,0,6.992481333,7.258593333,7.122902222,7.059566103,6.972324444,6.83023104,6.718464,0,0,1.226041937,1.671996207,1.337194151,1.152563416,0.91299943,0.631913698,0.444612905,0,0,165.54322,144.3464838,154.3374172,158.7850771,165.0237265,176.0150228,184.917652,0,0,1.558641975,1.890946502,1.562242798,1.547008547,1.472222222,1.22,1,0,0,0.03579306,-0.004785703,-0.001632442,-0.005905204,-0.025738089,0.004252174,0.015912733,0,0,726.396054,6.89E-13,6.36E-13,-282.4873543,-605.330045,161.4213453,363.198027,0,0,1350.764481,-6.39E-13,-7.89E-13,-525.297298,-1125.637067,300.1698846,675.3822403,0,0,0.142296,2.04E-15,2.05E-15,-0.055337333,-0.11858,0.031621333,0.071148,0,0,6.038545709,1.66E-14,1.71E-14,-2.348323331,-5.032121424,1.341899046,3.019272855,0,0,32.80147613,-2.00E-13,-1.96E-13,-12.75612961,-27.33456344,7.289216918,16.40073807,0,0,2.962962963,-1.305555556,0.101851852,0.764403292,-1.913580247,-0.248971193,1.12037037,0,0,0.001325669,-1.77E-04,-3.02E-05,-7.57E-05,-2.86E-04,5.67E-05,5.89E-04,0,0,26.90355756,2.55E-14,1.18E-14,-3.621632748,-6.725889389,2.152284604,13.45177878,0,0,50.0283141,-2.37E-14,-1.46E-14,-6.734580744,-12.50707852,4.002265128,25.01415705,0,0,0.005270222,7.56E-17,3.79E-17,-7.09E-04,-0.001317556,4.22E-04,0.002635111,0,0,0.223649841,6.15E-16,3.17E-16,-0.030106709,-0.05591246,0.017891987,0.111824921,0,0,1.214869486,-7.40E-15,-3.63E-15,-0.163540123,-0.303717372,0.097189559,0.607434743,0,0,0.109739369,-0.048353909,0.001886145,0.009800042,-0.021262003,-0.003319616,0.041495199,0,0,-0.133704761,-0.022803889,-0.05710909,-0.215724126,0.042767582,0.444575933,0,0,9.49E-16,4.38E-16,-0.134615385,-0.25,0.08,0.5,0,0,-4.73E-16,-2.92E-16,-0.134615385,-0.25,0.08,0.5,0,0,1.43E-14,7.19E-15,-0.134615385,-0.25,0.08,0.5,0,0,2.75E-15,1.42E-15,-0.134615385,-0.25,0.08,0.5,0,0,-6.09E-15,-2.99E-15,-0.134615385,-0.25,0.08,0.5,0,0,-0.440625,0.0171875,0.089302885,-0.19375,-0.03025,0.378125,0,0,1.580094217,1.092623022,1.123730329,1.228780328,0.680255318,0.002795143,0,0,1.444444444,1.203703704,1.222222222,1.17962963,0.606666667,0,0,0,1.444444444,1.203703704,1.222222222,1.17962963,0.606666667,0,0,0,1.444444444,1.203703704,1.222222222,1.17962963,0.606666667,0,0,0,1.444444444,1.203703704,1.222222222,1.17962963,0.606666667,0,0,0,1.444444444,1.203703704,1.222222222,1.17962963,0.606666667,0,0,0,1.986111111,0.794444444,0.8953125,1.356875,0.833625,0,0,0,37.29808014,18.64904007,25.47746719,37.29808014,4.144231127,18.6490401,0,1.11E-16,1.23E-17,-33.06312051,5000010.414,555556.7126,13.8824555,37.29808014,18.64904007,25.47746719,37.29808014,4.144231127,18.6490401,0,1.11E-16,1.23E-17,-33.06312051,5000010.414,555556.7126,13.8824555,37.29808014,18.64904007,25.47746719,37.29808014,4.144231127,18.6490401,0,1.11E-16,1.23E-17,-33.06312051,5000010.414,555556.7126,13.8824555,37.29808014,18.64904007,25.47746719,37.29808014,4.144231127,18.6490401,0,1.11E-16,1.23E-17,-33.06312051,5000010.414,555556.7126,13.8824555,37.29808014,18.64904007,25.47746719,37.29808014,4.144231127,18.6490401,0,1.11E-16,1.23E-17,-33.06312051,5000010.414,555556.7126,13.8824555,37.29808014,18.64904007,25.47746719,37.29808014,4.144231127,18.6490401,0,1.11E-16,1.23E-17,-33.06312051,5000010.414,555556.7126,13.8824555,45.92950423,22.75802445,31.78630436,45.78289929,5.08698881,22.75802445,-0.263888889,0.004638837,5.15E-04,-4.835962372,54.91354592,6.101505102,3.60518405,0,11.89,12.11013444,-0.160702126,0.060689868,6.3109375,9.073406015,9,27,27,27,9,0,0,0,0,0,19.677726,3.697876488,3.042364541,2.96306642,2.560937789,2.17548746,1.856050953,1.281558061,1.099508061,2.02701222,1.585950347,1.533536696,1.357829012,1.066605404,0.846202261,0.565874974,0.413035098,3.719501515,3.078435564,3.001583803,2.620584956,2.243749091,1.934711109,1.389893753,1.209688389,1.977518183,1.506815679,1.451642361,1.253683762,0.952794097,0.723533078,0.416145532,0.259521562,3.815397651,3.239284907,3.172090024,2.873959757,2.531187307,2.260401738,1.827561338,1.656579633,1.834723275,1.271648566,1.206159919,0.922499658,0.585704835,0.321192013,0.092935908,0.262056834,3.735471952,3.105160529,3.030053775,2.66411292,2.293440723,1.991656529,1.467762475,1.289020676,1.946259971,1.45612622,1.399013035,1.18521397,0.877571657,0.64197557,0.31524636,0.156092313,3.862661906,3.318282267,3.255121567,2.991087481,2.662420938,2.406242646,2.017120106,1.850629028,1.790961792,1.19828528,1.128818232,0.811320193,0.460560939,0.18119733,0.277081339,0.450448455,3.711227547,3.185821029,3.087858048,2.856869201,2.399668944,2.10266796,1.581134143,1.390915633,1.957768985,1.364912791,1.321309731,0.982772417,0.736786313,0.501146309,0.165186161,0.012637536,0,0,0,0,0,3,3,3,0,0,0,0,0.068041382,0.204124145,0,0,0,0.068041382,0.204124145,0.663854611,0,0.272165527,0,0.663854611,0,0.272165527,0,1.733969088,1.979392051,2.190389772,1.733969088,1.979392051,2.190389772,6.853371151,4.215214055,3.744588185,3.114068787,1.848425766,1.072102901,0.526099421,0.136082763,0.761485683,0.468357117,0.312049015,0.222433485,0.142186597,0.089341908,0.07515706,0.068041382,6.853371151,4.215214055,3.744588185,3.114068787,1.848425766,1.072102901,0.526099421,0.136082763,0.761485683,0.468357117,0.312049015,0.222433485,0.142186597,0.089341908,0.07515706,0.068041382,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.0786,41.343,36.67290345,48.67889424,73.3458069,8.1495341,36.67290345,0.016616204,0.001846245,-3.687639223,421.5163183,46.83514647,5.439472642,63,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,7.175740741,0,4.392546296,0,0,0,2.931712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.389212963,0,1.463796296,0,0,0,0.971064815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.397314815,0,1.464953704,0,0,0,0.980324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.5,1.611111111,0.2,2.397314815,0.2,0.971064815,6.463105324,0.362268519,0.397314815,2.351481481,0.362268519,0.397314815,2.351481481,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.33333,0.33333,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,10.4931,1.1659,10.4931,0,0,4.21519,0.46835,4.21519,0,0,0.19881,0.02209,0.28481,0.03165,0.222222222,9,0,0,0,0,0,0,1,0.918295834,1.446616668,2.623447687,2.809356946,2.953806373,3.263603706,24.79398752,39.05865003,70.83308754,75.85263755,79.75277208,88.11730005,0.193126721,0.304237833,0.551737067,0.590835629,0.621214776,0.686368227,3.836591668,3.308270835,2.131439816,1.945530556,1.801081129,1.491283797,0.193126721,0.304237833,0.551737067,0.590835629,0.621214776,0.686368227,6.73287657,13.07272657,16.50189266,15.36811428,17.95639958,17.4543859,35.54887502,26.03910002,23.8332514,25.20323242,21.39827215,21.27841992,7.111111111,2.722222222,1.469387755,0,0,0,2.45,1.2681,0.908560296,2.9826782,5.181129588,0,2.381101578,4.585756412,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.124,0.16,0.203,3.937,12,14,13,12,7,2,0,0,0,78,2.302585093,2.564949357,2.708050201,2.63905733,2.564949357,2.079441542,1.098612289,0,0,0,4.369447852,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,4,0.333333333,2,1.555555556,0.6875,0.333333333,0,0,0,0,0,0,0.222222222,0.12962963,0.0625,0.083333333,0,0,0,0,0,0,0.497685185,18.64904007,25.47746719,37.29808014,4.144231127,18.6490401,1.11E-16,1.23E-17,-33.06312051,5000010.414,555556.7126,13.8824555,0,151.8638616,4.169925001,3.761200116,4.553876892,5.370638028,6.180016654,7.00033446,7.812378206,8.633552993,9.446123704,10.26747073,81.02559178,2.944438979,0,4.204692619,0,5.686975356,0,7.263329617,0,8.876125585,9.101863896,126.1408506,4.671883355,17.38253322,1.931392579,0,0,0,82,11,4.938,42,1.22699952,2.101574372,2.829134171,3.489015791,4.182366806,4.990189157,0,0,0,0,78.95148878,90.39595266,84.68684673,51.34709942,18.273102,5.070351555,0,0,0,0,290.5400635,369.4562014,398.4279289,345.6244691,235.7747565,155.1137644,0,0,0,0,8.938429587,15.01849659,20.02088178,24.38417297,28.60379096,33.5264062,0,0,0,0,2.17886504,2.949206807,3.386968657,3.305474745,2.705334676,2.218702497,0,0,0,0,175.1121323,320.8640076,445.7102302,571.3588944,733.1915509,922.774062,0,0,0,0,2.36587207,3.36488319,4.464432923,5.251997956,5.192293525,4.990189157,0,0,0,0,0.45089223,0.618025924,0.71780374,0.714152078,0.602256532,0.51099537,0,0,0,0,323.8667867,148.2754454,8.138318502,75.85414732,-34.72819055,-4.069882705,248.0126393,183.003636,12.20820121,0.810232237,0.370947411,0.020360001,0.189767763,-0.08688109,-0.01018181,129.4563344,59.26879953,3.253056272,30.32049061,-13.88158476,-1.626817316,0.065776143,0.135597261,0.443806416,1.023444237,399.720934,0,1,0,620.8036052,24.91593075,8.530701456,795.1702547,28.19876335,9.264458536,1133.79351,33.6718504,10.42744695,1.450520005,1.450520005,421.7098996,306.0697877,222.9500813,1.377822694,1.891499196,1.372817565,3.907200247,3.780722771,6.119384403,0.618575276,5.678878715,8.68425211,12.30426776,11.55345349,18.3426175,14.83005439,13.99922528,16.49822534,7.962073668,1.768214023,2.06321176,5.11E-07,2.09E-34,1.66E-83,2.53E-154,7.43E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.42656608,6.534793822,0.946325225,5.36024302,0.98913844,2.867756483,2.041784938,0.643922674,0.229323504,0.051376619,0.014531369,3.60E-09,1.48E-36,1.17E-85,1.78E-156,5.23E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.408961682,6.678425485,3.045945834,6.064238206,3.48373445,4.883519075,3.278877364,2.319308974,1.029470438,0.229777474,0.15142807,3.75E-08,1.54E-35,1.22E-84,1.85E-155,5.45E-248,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.325598276,8.44826063,11.53154639,10.9761396,16.90963703,13.9470273,12.84137863,14.97547169,7.21335331,1.602247615,1.838284533,4.55E-07,1.87E-34,1.48E-83,2.25E-154,6.62E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.109983225,6.86465094,4.55222916,6.713835228,5.507256181,6.393764358,4.485498874,3.932847392,1.80983136,0.403326977,0.328922003,8.15E-08,3.34E-35,2.64E-84,4.03E-155,1.18E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.022952853,9.676564316,15.25318485,13.91599409,24.06910228,18.27061907,18.76969772,22.76323813,11.04686121,2.45181813,3.009000447,7.45E-07,3.06E-34,2.42E-83,3.68E-154,1.08E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.584856603,6.679616726,7.238461303,8.094417918,8.991431147,9.788258046,7.774891328,7.990051604,3.854676807,0.876262384,0.794863983,1.97E-07,8.07E-35,6.38E-84,9.73E-155,2.86E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.780736921,1.922002885,0.928988273,0.493762639,0.341281194,0.480369063,0.47976492,0.469054549,5.631728078,9.713374514,20.31015881,0.252565751,1.429188531,2.001336157,1.347470705,0.425532263,0.530248102,0.357008382,0.249827813,0.235891513,0.098661632,3.774339126,4.121767207,9.043656994,0.330884726,0.584380958,2.310601194,1.575472373,0.625960162,0.5120975,0.349171231,0.332343195,0.322376364,0.213500401,4.512033729,6.072815586,12.8635248,0.291903097,0.86821996,2.761414592,1.907761446,0.916568323,0.494368237,0.341541131,0.473747227,0.472678484,0.456666092,5.585744361,9.547739147,19.96207569,0.253864052,1.403091804,2.448583519,1.677183041,0.715088016,0.505816376,0.346464248,0.372959337,0.365322188,0.278498232,4.840854577,7.057008979,14.83453178,0.278420936,1.016779757,2.84123734,1.966594292,0.967859188,0.491930304,0.340495077,0.501401479,0.502296612,0.508874098,5.77569082,10.24086515,21.42452836,0.248638072,1.512572189,2.773929699,1.911218124,0.91950959,0.494932963,0.341005343,0.477987627,0.47440831,0.45945969,5.604657412,9.609623067,20.08913847,0.253907459,1.411855627 +UMLMON0189,L,"1,2,3-trimethylcyclohexane",CC1CCCC(C1C)C,15507,(cis)(trans)(cis) reported; [9] has RON of 84.8,UML,[1],C9H18,PubChem,,81,0,-0.0236,5.57E-04,39.5744,30.93586,0,0,30,10,20,0,10,0,0,0,0,0,0,0,0,0,1462.96249,1684.78297,2179.217388,1909.999233,1460.185951,1112.983037,599.505314,147.488544,12.192768,4856.843906,6529.901345,9585.725944,10251.52203,8305.113874,6430.027844,4480.655802,1955.543519,373.0049332,209.77444,217.7578,427.342512,611.0649,623.588668,439.348532,393.777416,245.856384,80.621568,36.7812581,50.1598862,78.88975002,91.88861403,78.49990747,59.79999064,45.41693209,22.69537863,5.335354858,4966.296601,4330.394515,9252.955815,14038.56106,15186.48717,10405.34247,9692.772174,6339.08443,2219.011824,45.05555556,55,93.94444444,126.3333333,116.75,90.33333333,76.16666667,43,12,48.76541633,56.15943233,36.3202898,21.95401417,16.22428834,17.66639741,10.51763709,4.096904,1.016064,161.8947969,217.6633782,159.7620991,117.8335866,92.27904304,102.063934,78.60799652,54.3206533,31.08374443,6.992481333,7.258593333,7.1223752,7.023734483,6.928762978,6.973786222,6.908375719,6.829344,6.718464,1.226041937,1.671996207,1.314829167,1.056190966,0.872221194,0.949206201,0.796788282,0.630427184,0.444612905,165.54322,144.3464838,154.2159303,161.3627708,168.7387463,165.1641662,170.0486346,176.0856786,184.917652,1.501851852,1.833333333,1.565740741,1.45210728,1.297222222,1.433862434,1.33625731,1.194444444,1,0.040588375,-0.002758479,-0.008128073,-0.020516777,0.010700369,-0.00476808,-0.00444729,0.002288616,0.007335526,807.1067267,-5.90E-13,-161.4213453,-403.5533633,161.4213453,-161.4213453,-80.71067267,80.71067267,161.4213453,1500.849423,5.26E-13,-300.1698846,-750.4247115,300.1698846,-300.1698846,-150.0849423,150.0849423,300.1698846,0.158106667,3.66E-15,-0.031621333,-0.079053333,0.031621333,-0.031621333,-0.015810667,0.015810667,0.031621333,6.709495232,1.85E-14,-1.341899046,-3.354747616,1.341899046,-1.341899046,-0.670949523,0.670949523,1.341899046,36.44608459,-3.02E-13,-7.289216918,-18.22304229,7.289216918,-7.289216918,-3.644608459,3.644608459,7.289216918,2.651851852,-0.877777778,0.418518519,-1.74962963,1.22962963,-0.339259259,-0.397777778,-0.037777778,0.428148148,0.001352946,-9.19E-05,-1.35E-04,-2.36E-04,1.19E-04,-7.57E-05,-7.80E-05,6.36E-05,6.11E-04,26.90355756,-1.97E-14,-2.690355756,-4.638544406,1.793570504,-2.562243577,-1.415976713,2.24196313,13.45177878,50.0283141,1.75E-14,-5.00283141,-8.625571396,3.33522094,-4.764601343,-2.633069163,4.169026175,25.01415705,0.005270222,1.22E-16,-5.27E-04,-9.09E-04,3.51E-04,-5.02E-04,-2.77E-04,4.39E-04,0.002635111,0.223649841,6.16E-16,-0.022364984,-0.038560317,0.014909989,-0.021299985,-0.011771044,0.018637487,0.111824921,1.214869486,-1.01E-14,-0.121486949,-0.209460256,0.080991299,-0.115701856,-0.063940499,0.101239124,0.607434743,0.088395062,-0.029259259,0.006975309,-0.020110685,0.013662551,-0.005385068,-0.006978558,-0.001049383,0.035679012,-0.067962297,-0.100128089,-0.174304852,0.087877128,-0.055940014,-0.0576687,0.046988329,0.45182432,-7.31E-16,-0.1,-0.172413793,0.066666667,-0.095238095,-0.052631579,0.083333333,0.5,3.50E-16,-0.1,-0.172413793,0.066666667,-0.095238095,-0.052631579,0.083333333,0.5,2.32E-14,-0.1,-0.172413793,0.066666667,-0.095238095,-0.052631579,0.083333333,0.5,2.76E-15,-0.1,-0.172413793,0.066666667,-0.095238095,-0.052631579,0.083333333,0.5,-8.29E-15,-0.1,-0.172413793,0.066666667,-0.095238095,-0.052631579,0.083333333,0.5,-0.331005587,0.078910615,-0.22750915,0.154562384,-0.060920458,-0.078947368,-0.011871508,0.403631285,1.518821348,1.233988025,1.200474284,0.743695822,1.058325578,0.939293115,0.660080369,0.003756588,1.45,1.305,1.2,0.7975,1.035714286,0.877631579,0.604166667,0,1.45,1.305,1.2,0.7975,1.035714286,0.877631579,0.604166667,0,1.45,1.305,1.2,0.7975,1.035714286,0.877631579,0.604166667,0,1.45,1.305,1.2,0.7975,1.035714286,0.877631579,0.604166667,0,1.45,1.305,1.2,0.7975,1.035714286,0.877631579,0.604166667,0,1.863128492,0.830307263,1.234287709,0.555225791,1.212672918,1.148467363,0.835370112,0,51.8988932,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,7.11E-15,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,51.8988932,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,7.11E-15,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,51.8988932,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,7.11E-15,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,51.8988932,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,7.11E-15,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,51.8988932,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,7.11E-15,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,51.8988932,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,7.11E-15,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,59.69870416,29.66198703,45.81528041,59.58870416,5.958870416,29.66198703,-0.183333333,0.066500997,0.0066501,-2.710538343,60.83940178,6.083940178,4.108237635,0,11.9,12.10017173,-0.151266897,0.04892171,5.93309375,9.068756202,10,30,30,30,10,0,0,0,0,0,21.86414,3.660460899,3.330559519,2.802277589,2.750129472,2.333552793,2.094353543,1.456797487,1.302227715,2.013442652,1.79256771,1.389922102,1.372874417,1.249629723,0.997409362,0.666206401,0.569627639,3.684130997,3.361717169,2.841850323,2.792995694,2.405454588,2.162029137,1.556142907,1.4062584,1.961326233,1.725391477,1.305781531,1.285229005,1.134540686,0.880575204,0.522081792,0.419449524,3.788278242,3.499053291,3.017583092,2.981537655,2.704236987,2.450551859,1.9628467,1.833550288,1.809103572,1.526481133,1.052745422,1.018928274,0.76031856,0.50579849,0.037619229,0.08788596,3.701568673,3.384698009,2.87114064,2.824624264,2.457539916,2.211521071,1.62787375,1.481512297,1.928246408,1.682474266,1.251620566,1.228596505,1.058262671,0.803476996,0.425347018,0.318442673,3.839114087,3.565942255,3.103274513,3.072480534,2.838982085,2.583759321,2.141548494,2.021227804,1.761867751,1.464234114,0.97293315,0.933903671,0.631337262,0.379198996,0.135164289,0.269476325,3.694572112,3.463751956,2.913339233,2.858333323,2.718655497,2.309914479,1.752482097,1.607383471,1.91768765,1.592286975,1.170126214,1.156737416,0.80376188,0.665277346,0.262588642,0.150743689,0,0,0,0,0,2,6,2,0,0,0,0,0.102062073,0.072168784,0,0,0,0.102062073,0.072168784,0.612372436,0,0,0,0.612372436,0,0,0,0.642228525,1.041888478,1.093412989,0.642228525,1.041888478,1.093412989,7.397341225,4.7876937,4.133584955,2.529482726,2.089508593,1.454567768,0.595522031,0.319035594,0.739734123,0.47876937,0.344465413,0.210790227,0.149250614,0.103897698,0.074440254,0.053172599,7.397341225,4.7876937,4.133584955,2.529482726,2.089508593,1.454567768,0.595522031,0.319035594,0.739734123,0.47876937,0.344465413,0.210790227,0.149250614,0.103897698,0.074440254,0.053172599,15.41827804,28.87836854,27.25490196,27.6,17.98554491,230.2825509,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.6128,46.03,42.8834899,62.95133481,85.7669798,8.57669798,42.8834899,0.20866802,0.020866802,-1.567010712,39.432933,3.9432933,3.67460133,92,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,2,0,6,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,4.683741497,0,8.985841837,0,0,0,1.997083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.341870748,0,1.472222222,0,0,0,0.919537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.341870748,0,1.512083333,0,0,0,1.077546296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.66666667,1.566666667,0.2,2.341870748,0.2,0.919537037,7.203312509,0.413796296,0.341870748,1.415816327,0.413796296,0.341870748,1.415816327,5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.2,0.2,0,5,0.5,5,0.5,0,0,-5,-0.5,0,0,11.44878,1.14488,11.44878,0,0,4.78768,0.47877,4.78768,0,0,0.12632,0.01263,0.21232,0.02123,0.2,10,0,0,0,0,0,0,1,0.918295834,1.375279366,2.597416845,3.339572262,3.456564762,3.111080496,27.54887502,41.25838097,77.92250535,100.1871679,103.6969429,93.33241489,0.187144143,0.280275123,0.529340688,0.680588286,0.704430778,0.634022796,3.988594762,3.53161123,2.309473751,1.567318334,1.450325833,1.795810099,0.187144143,0.280275123,0.529340688,0.680588286,0.704430778,0.634022796,6.73287657,12.21667895,17.3890332,19.14640285,18.53149916,15.39509482,39.49875002,30.76840725,24.8271172,21.27306377,21.72076669,27.72527279,8.1,4,3.111111111,4,0,3,2.56,1.409,0.5,2.921736458,2.309401077,0,7.732315986,5.638173476,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,4.664,12,12,14,14,8,6,4,0,0,90,2.397895273,2.564949357,2.564949357,2.708050201,2.708050201,2.197224577,1.945910149,1.609437912,0,0,4.510859507,1,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,1,3,6,1,2,0.444444444,0.4375,0.311111111,0.118055556,0.08,0,0,0,0,0.2,0.037037037,0.048611111,0.044444444,0.023611111,0.04,0,0,0,0,0.393703704,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,0,169.1598463,4.321928095,3.80666249,4.532599493,5.323009979,6.070737728,6.865891075,7.621195163,8.416046009,9.174609562,9.968479096,81.7792306,3.044522438,0,4.234106505,0,5.609471795,0,7.067319849,0,8.564267599,8.822174761,140.1565006,4.671883355,19.53512296,1.953512296,0,0,0,126,9,5.568,44,1.229266235,2.107949862,2.836567011,3.509560408,4.101997194,4.497500184,5.282428901,6.209243728,0,0,79.27849437,85.32486944,66.68306315,60.17714082,77.04621513,52.70100838,22.93548389,6.308989019,0,0,291.5000555,360.5345813,350.2678628,334.2347125,429.2580775,376.1379065,296.70394,193.0065451,0,0,8.955521785,15.06236452,19.97345183,24.34498614,28.62043588,31.15059419,36.12209109,41.71658045,0,0,2.185186681,2.912779309,3.104221119,3.127885327,3.950716657,3.743363223,3.408224371,2.760709891,0,0,175.3995389,321.6485948,453.9052473,590.1127425,676.6450306,758.6013821,926.4508582,1148.198771,0,0,2.302214539,3.391086202,4.195712342,4.604160382,5.905924741,6.156833605,6.403715198,6.209243728,0,0,0.452167257,0.611540702,0.662535765,0.675323304,0.849581635,0.815155032,0.758879318,0.635826558,0,0,354.5279456,183.2818416,9.075108401,78.7159746,-40.694137,-4.263401955,275.811971,223.9759786,13.33851036,0.818310261,0.423045386,0.02094688,0.181689739,-0.093928928,-0.00984065,153.5970769,79.40574354,3.931735539,34.10321742,-17.63048744,-1.847092976,0.057809681,0.120984934,1.009027282,1.118615024,433.2439202,0,1,0,682.8851744,26.13207176,8.806078679,876.625896,29.60786882,9.57057649,1253.092402,35.39904522,10.78104931,1.491002138,1.37822061,633.8500102,540.728492,203.2997708,1.172214928,3.117809763,2.659759477,4.295335088,4.301363014,7.285317454,0.693722996,5.578859018,8.490678795,9.919367078,21.16308877,19.50653399,13.63114408,16.91631927,17.26816073,9.707031137,5.494703377,3.070213991,2.88266023,2.305835466,0.009974445,6.57E-23,8.35E-65,2.05E-128,9.69E-214,8.844E-321,0,0,0,0,0,0,0,0,0,0,0,0.468745376,7.518183444,0.739260427,7.971276802,1.569988287,1.954738535,2.813179779,3.311876409,0.553728454,0.26917398,0.592585766,0.14646813,0.01624147,7.03E-05,4.63E-25,5.88E-67,1.44E-130,6.83E-216,6.4E-323,0,0,0,0,0,0,0,0,0,0,0,1.511797431,7.653448659,2.423408854,9.473332227,4.253106752,3.764122233,4.248339859,5.492630383,1.659109106,0.995075144,0.958417938,0.535714055,0.169238572,7.32E-04,4.82E-24,6.13E-66,1.50E-129,7.11E-215,6.47E-322,0,0,0,0,0,0,0,0,0,0,0,5.266010526,8.408770466,9.290255455,19.93427425,18.06244757,12.71325378,15.54224037,16.17744324,8.876747118,5.054257407,2.869041764,2.655270669,2.05445877,0.008887051,5.85E-23,7.44E-65,1.83E-128,8.64E-214,7.88E-321,0,0,0,0,0,0,0,0,0,0,0,2.227829196,7.765081794,3.635851903,10.85798213,6.385405432,5.176645721,5.662164418,7.187998941,2.644469823,1.59455653,1.251090819,0.853178714,0.367605637,0.001590149,1.05E-23,1.33E-65,3.27E-129,1.55E-214,1.41E-321,0,0,0,0,0,0,0,0,0,0,0,6.737208653,8.819351173,12.32488497,26.19110093,25.24622022,17.26024846,22.58377054,21.57492457,13.08767915,7.262343857,3.871260466,3.79257276,3.362840138,0.014546791,9.58E-23,1.22E-64,2.99E-128,1.41E-213,1.29E-320,0,0,0,0,0,0,0,0,0,0,0,3.712569968,7.522638442,5.653454945,14.81021058,10.5438489,8.198614849,9.378558937,10.95064352,5.07787264,2.890305684,2.087400758,1.66563032,0.939459905,0.00406383,2.68E-23,3.40E-65,8.35E-129,3.95E-214,3.6E-321,0,0,0,0,0,0,0,0,0,0,0,4.193884029,1.656879166,0.851993211,0.625695427,0.247193701,0.502107431,0.567156397,0.411651697,6.702756406,11.93356959,24.55662155,0.43854314,1.480915525,3.475734192,1.059008672,0.393301218,0.705296895,0.214894318,0.345150774,0.231902758,0.087515204,4.928044083,5.464352546,11.8400726,0.557945343,0.664568736,3.760938225,1.296397909,0.575566078,0.667673267,0.23014742,0.403979462,0.347383985,0.187651671,5.632902213,7.786503577,16.22567746,0.501509901,0.939015119,4.176102553,1.642071689,0.840645288,0.627153587,0.24660102,0.497867723,0.557074583,0.400745266,6.658819529,11.74848053,24.1719913,0.44073038,1.455687572,3.888074918,1.402242276,0.656769298,0.653778102,0.235786427,0.431691801,0.406361177,0.244436342,5.947086492,8.926540933,18.45434876,0.480667153,1.082489319,4.249553727,1.703238969,0.887518341,0.621251534,0.249000222,0.515497014,0.599304734,0.446741315,6.840311037,12.5212182,25.78539188,0.431877302,1.561543063,4.189261793,1.646313146,0.842493078,0.627316431,0.246525364,0.501012004,0.560049651,0.402563967,6.678068016,11.81326825,24.30187349,0.440974646,1.463625622 +UMLMON0190,L,iso-butylcyclohexane,CC(C)CC1CCCCC1,15508,[8/32] has RON of 63.8 (!!!),UML,[1],C10H20,UML,,28.9,0,-2.2014,4.84616196,35.0902,32.269446,0,0,32,10,22,0,10,0,0,0,0,0,0,0,0,0,1464.994618,1564.733025,1628.407208,1462.132399,1265.37567,1068.618941,871.862212,675.105483,478.348754,4919.011395,6335.857676,8183.299058,8109.013046,7102.214701,6095.416356,5088.618011,4081.819666,3075.021321,223.211368,224.452548,424.85264,563.52166,500.63676,437.75186,374.86696,311.98206,249.09716,37.67048391,49.59807482,70.85046445,75.16732273,66.14579387,57.12426502,48.10273616,39.0812073,30.05967844,5336.131905,4509.845254,9421.85879,13490.4332,12011.47804,10532.52289,9053.567731,7574.612576,6095.657421,48,57.75,92.5,110.25,98,85.75,73.5,61.25,49,45.78108181,50.47525887,27.14012013,18.05101727,17.57466208,16.96220541,16.14559652,15.00234407,13.28746539,153.7191061,204.3825057,136.3883176,100.1112722,98.64187085,96.75264057,94.23366687,90.70710369,85.41725893,6.97535525,7.240404774,7.080877333,6.957057531,6.953288333,6.948442222,6.941980741,6.932934667,6.919365556,1.177202622,1.599937897,1.180841074,0.927991639,0.918691582,0.906734365,0.89079141,0.868471273,0.834991068,166.754122,145.4788792,157.0309798,166.548558,166.8260839,167.1829029,167.6586617,168.3247239,169.3238172,1.5,1.862903226,1.541666667,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,0.045709501,-0.004413885,-0.021126449,-9.91E-05,-2.81E-06,7.19E-08,1.51E-06,1.32E-05,4.11E-05,832.3288119,-57.22260582,-365.0896834,-10.87702425,-11.34993834,-11.82285244,-12.29576654,-12.76868064,-13.24159473,1547.750967,-106.407879,-678.8998562,-20.22629105,-21.10569501,-21.98509897,-22.86450293,-23.74390689,-24.62331084,0.1630475,-0.011209516,-0.071518562,-0.002130734,-0.002223375,-0.002316016,-0.002408656,-0.002501297,-0.002593938,6.919166958,-0.475692728,-3.034998234,-0.090420932,-0.094352277,-0.098283622,-0.102214966,-0.106146311,-0.110077656,37.58502473,-2.58397045,-16.48615858,-0.491167937,-0.512523065,-0.533878192,-0.55523332,-0.576588448,-0.597943575,2.875,-0.66015625,-1.015625,0.03515625,0.03125,0.02734375,0.0234375,0.01953125,0.015625,0.001428422,-1.42E-04,-3.52E-04,-1.22E-06,-3.91E-08,1.14E-09,2.80E-08,2.94E-07,1.14E-06,26.01027537,-1.84589051,-6.084828057,-0.13428425,-0.157638033,-0.187664324,-0.22769938,-0.283748459,-0.367822076,48.36721773,-3.432512226,-11.3149976,-0.249707297,-0.293134653,-0.348969825,-0.423416721,-0.527642375,-0.683980857,0.005095234,-3.62E-04,-0.001191976,-2.63E-05,-3.09E-05,-3.68E-05,-4.46E-05,-5.56E-05,-7.21E-05,0.216223967,-0.015344927,-0.050583304,-0.001116308,-0.001310448,-0.001560057,-0.00189287,-0.002358807,-0.003057713,1.174532023,-0.083353885,-0.27476931,-0.006063802,-0.007118376,-0.008474257,-0.010282099,-0.012813077,-0.016609544,0.08984375,-0.021295363,-0.016927083,4.34E-04,4.34E-04,4.34E-04,4.34E-04,4.34E-04,4.34E-04,-0.099678795,-0.246501033,-8.57E-04,-2.74E-05,7.99E-07,1.96E-05,2.06E-04,8.00E-04,-0.070967742,-0.233939394,-0.005162738,-0.006060606,-0.007215007,-0.008754209,-0.010909091,-0.014141414,-0.070967742,-0.233939394,-0.005162738,-0.006060606,-0.007215007,-0.008754209,-0.010909091,-0.014141414,-0.070967742,-0.233939394,-0.005162738,-0.006060606,-0.007215007,-0.008754209,-0.010909091,-0.014141414,-0.070967742,-0.233939394,-0.005162738,-0.006060606,-0.007215007,-0.008754209,-0.010909091,-0.014141414,-0.070967742,-0.233939394,-0.005162738,-0.006060606,-0.007215007,-0.008754209,-0.010909091,-0.014141414,-0.237026648,-0.188405797,0.004830918,0.004830918,0.004830918,0.004830918,0.004830918,0.004830918,1.628984413,1.403214125,0.924977432,0.921560946,0.918143875,0.913606549,0.907099062,0.896992195,1.6,1.427878788,0.946352413,0.939393939,0.93044733,0.918518519,0.901818182,0.876767677,1.6,1.427878788,0.946352413,0.939393939,0.93044733,0.918518519,0.901818182,0.876767677,1.6,1.427878788,0.946352413,0.939393939,0.93044733,0.918518519,0.901818182,0.876767677,1.6,1.427878788,0.946352413,0.939393939,0.93044733,0.918518519,0.901818182,0.876767677,1.6,1.427878788,0.946352413,0.939393939,0.93044733,0.918518519,0.901818182,0.876767677,1.826086957,1.168115942,0.798711755,0.823671498,0.855762595,0.898550725,0.958454106,1.048309179,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,75.83469465,37.85068066,60.84580395,75.72802798,7.572802798,37.85068066,-0.133333333,1.67E-16,1.67E-17,-36.33133546,48.66635119,4.866635119,3.884987851,0,11.89,12.11015511,-0.170505165,0.049865171,5.112413351,7.407268787,9,31,31,31,9,0,0,0,0,0,24.050554,3.512805123,3.337201265,3.062823148,2.716438049,2.333784739,1.956334141,1.624183802,1.365317391,1.932483317,1.815532584,1.632737175,1.405372919,1.164335932,0.942762779,0.763930039,0.634799578,3.541651349,3.370182286,3.102652658,2.765819865,2.395430027,2.032725436,1.716720514,1.473124754,1.872049897,1.747200105,1.552915661,1.311754829,1.055524963,0.818635077,0.626272471,0.486878003,3.667491355,3.514173242,3.276143496,2.979400328,2.658834882,2.35356873,2.097021803,1.906139155,1.692420704,1.542675643,1.31032137,1.021062963,0.709480343,0.414138296,0.167326491,0.015415667,3.562848207,3.394431523,3.131931389,2.80206165,2.440523319,2.088317692,1.783588016,1.550406129,1.833409087,1.703366429,1.501368098,1.250760393,0.983965445,0.73625379,0.534158895,0.387266279,3.728198738,3.583545209,3.359192445,3.080350168,2.781097802,2.499169271,2.265278097,2.093146298,1.635759561,1.477872193,1.232516296,0.925996536,0.593542969,0.274941482,0.005070189,0.197167147,3.56934017,3.442789514,3.216871357,2.905546292,2.548605827,2.198203331,1.90041371,1.678949589,1.806934966,1.642036503,1.400603284,1.122039913,0.842915067,0.590043505,0.381370055,0.225766441,0,0,0,0,0,2,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.656854249,4.914213562,3.121320344,1.957106781,1.207106781,0.728553391,0.426776695,0.239276695,0.765685425,0.546023729,0.390165043,0.279586683,0.201184464,0.145710678,0.106694174,0.079758898,7.656854249,4.914213562,3.121320344,1.957106781,1.207106781,0.728553391,0.426776695,0.239276695,0.765685425,0.546023729,0.390165043,0.279586683,0.201184464,0.145710678,0.106694174,0.079758898,15.96010584,30.76620539,28.98039216,29.36,18.7840994,246.5681114,0.498753308,0.961443918,0.905637255,0.9175,0.587003106,7.705253481,4.147,48.284,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,122,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,2,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,4.539767731,0,11.46023227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.269883866,0,1.36882716,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.269883866,0,1.466111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,1.6,0.2,2.269883866,0.2,1.36882716,7.485011613,0.13117284,0.269883866,1.079535462,0.13117284,0.269883866,1.079535462,5,0.5,0,0,0.425,0.7,0.425,0.425,0.7,0,0,0,0,0.71429,0,0,0.2,0,0,4.5,0.45,4.5,0.45,0,0,-4.5,-0.45,0,0,10.82617,1.08262,10.82617,0,0,4.91421,0.49142,4.91421,0,0,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,9,0,0,0,0,0,0,1,0.896038233,1.121640762,1.905639062,2.358458593,2.352217001,2.021782222,28.67322344,35.89250439,60.98044999,75.47067499,75.27094405,64.69703109,0.179207647,0.224328152,0.381127812,0.471691719,0.4704434,0.404356444,4.103961767,3.878359238,3.094360938,2.641541407,2.647782999,2.978217778,0.180864499,0.226402163,0.384651504,0.476052713,0.474792853,0.408094895,6.667318507,9.374548863,12.39410975,13.36908858,12.84418217,10.28173396,39.63994499,35.17609677,33.01842031,31.58458593,33.04547782,37.3049511,10,9,9.142857143,10,0,10,2.56,1.5176,0.111111111,4.250401119,0,0,11.24058363,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,4.764,8,7,6,5,4,3,2,1,0,55,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,4.025351691,1,0.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0.777777778,9,1,1,5,9,0.8,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0,0,0.055555556,0.027777778,0.017857143,0.013333333,0.011111111,0.010204082,0.010416667,0.012345679,0,0,0.158601348,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,0,181.516305,4.321928095,3.555348061,4.17438727,4.812184355,5.451038454,6.098074282,6.744059186,7.394493107,8.04334217,8.695004593,73.96793148,2.944438979,0,3.931825633,0,5.056245805,0,6.244166901,0,7.466799475,7.82284529,142.1721507,4.44287971,18.82909733,1.882909733,0,0,0,165,7,6.03,34,1.232032258,2.126816784,2.853478777,3.591182009,4.927171109,5.939369942,7.256069977,8.351068313,9.639996477,10.7432104,73.3510472,64.85722262,63.21784037,82.25633201,99.99898706,114.6708222,124.7862759,126.3910231,111.1472603,53.69799054,277.889902,310.8455964,315.7583328,419.33635,526.7493238,623.7543861,709.8426041,768.6351914,778.0286238,656.6194205,8.95613516,15.1083947,19.90650427,25.16007837,34.36215858,41.41828006,50.44784132,57.95480916,66.61187972,73.71761161,2.112699944,2.639415831,2.821462502,3.728246744,4.782526661,5.713564368,6.635830492,7.34492241,7.781398572,7.356887,177.010611,330.4530093,471.509208,584.8518716,814.4923176,981.697822,1210.798686,1401.089409,1638.630883,1863.963709,2.361072581,3.360669099,3.986003833,5.194605394,6.925482084,8.405321627,10.13863169,11.69622522,13.51290248,14.60058202,0.438284758,0.558867937,0.604275049,0.797031725,1.026662266,1.228052559,1.431495255,1.590015103,1.696931383,1.63087908,518.806276,289.9483775,12.87982094,185.6728382,-103.7680936,-11.19483188,333.1334378,393.7164711,24.07465282,0.736439542,0.411578387,0.018282758,0.263560458,-0.147297615,-0.015890935,365.4881858,204.2625762,9.073564845,130.8026366,-73.10245464,-7.88652525,0.047235381,0.116601667,0.717876105,7.744630494,704.4791142,0,1,0,558.7341223,23.63755745,8.236355148,771.8489161,27.78216903,9.17298675,886.8236151,29.77958386,9.60754476,3.5468948,3.5468948,1919.023544,1889.905618,62.49348786,1.01540708,30.70757626,30.24164089,5.191248624,6.901696073,12.51757278,0.813695162,6.135812176,8.536735897,3.299079542,35.84605019,15.41652225,0.143561376,5.950185579,9.031373116,21.58597966,1.271385627,2.190334646,21.20866241,4.670917491,16.95680387,2.706616095,0.752742321,4.229476654,4.699786721,5.486966136,4.287083639,2.590008367,0.829633961,0.282376383,2.450972911,1.56E-10,2.42E-42,7.26E-96,4.19E-171,4.67E-268,0,0.514936198,8.536277482,0.229480196,8.149216747,0.1120919,0.00124132,0.890646665,0.33794726,6.322296711,0.046024466,0.0194948,1.278356878,0.15123111,4.295801438,0.114384975,0.062463041,0.19262003,0.087008273,1.860278089,0.186279763,0.153140911,0.006395501,0.02369758,0.017262403,1.10E-12,1.71E-44,5.11E-98,2.95E-173,3.29E-270,0,1.662276818,8.53630898,0.772015801,10.14002909,1.140508706,0.010951644,1.923306853,1.367680506,8.324227981,0.188552494,0.167911555,4.394495877,0.646840448,6.389425923,0.443551105,0.192169477,0.719859502,0.483436004,2.600545409,0.715661476,0.526900461,0.06141166,0.076498884,0.179887545,1.15E-11,1.78E-43,5.33E-97,3.08E-172,3.43E-269,0,5.791706176,8.536685874,3.081432048,32.85472731,13.73826204,0.12800671,5.640409008,8.235689213,20.25755357,1.158306593,1.953183017,19.65173565,4.24318299,16.00809315,2.477181099,0.706523752,3.877356132,4.224543719,5.264936868,3.927188449,2.397079319,0.739251617,0.266540056,2.183772738,1.39E-10,2.16E-42,6.47E-96,3.74E-171,4.16E-268,0,2.449890184,8.536349034,1.169401236,12.59419135,2.468694907,0.023359993,2.632225263,2.295700789,10.02917513,0.318340494,0.357296923,6.816314306,1.113832501,7.972349123,0.728886639,0.284532692,1.169909738,0.917434176,3.108720773,1.170421923,0.820191012,0.132737801,0.112745489,0.390739785,2.49E-11,3.86E-43,1.16E-96,6.68E-172,7.45E-269,0,7.409881809,8.536946046,4.138685091,48.39279078,22.47209342,0.208921804,7.097188786,12.27659263,26.95189452,1.733284417,3.186773388,27.35568131,6.426123281,20.66657745,3.6364311,0.928365349,5.652425365,6.678366622,6.309047419,5.743201037,3.354007826,1.209678239,0.341011397,3.574513645,2.28E-10,3.54E-42,1.06E-95,6.12E-171,6.81E-268,0,3.922039033,8.058513549,1.86354965,18.64212039,6.031401034,0.056451695,3.790406127,4.224834171,13.54827596,0.590810862,0.862041917,11.771524,2.125201575,11.38913255,1.299436218,0.428009726,2.25564885,1.972804874,4.883516439,2.071174959,1.673837389,0.324741455,0.22060496,0.957411294,6.10E-11,9.47E-43,2.84E-96,1.64E-171,1.82E-268,0,14.5824455,0.781085363,0.517444134,0.918233641,0.049183716,0.557853601,0.624350483,0.624984453,15.880975,19.33990367,41.11463708,0.877350462,1.807188537,13.17544307,0.322100342,0.117303726,0.967726111,0.023658021,0.4555665,0.106092527,0.032119287,13.61484714,5.827126863,19.93978928,0.951589166,0.593778314,13.7511616,0.510061604,0.281066426,0.945598111,0.035074367,0.4961626,0.266252103,0.184399704,14.54228963,11.02229057,27.53596311,0.918397166,0.946814407,14.54926899,0.770276725,0.508012006,0.919236514,0.048666809,0.555321902,0.607205602,0.602407305,15.82755773,18.98947642,40.51030604,0.878854772,1.764934808,14.00045607,0.591383708,0.351963501,0.936873687,0.039573842,0.514281772,0.357964695,0.289159548,14.94380328,13.41543665,31.2733716,0.90531053,1.161406014,14.68579654,0.814752275,0.546826121,0.915152578,0.050771686,0.565777426,0.679272743,0.697976469,16.04737494,20.44139112,43.03169706,0.872728867,1.943026639,14.60199397,0.771824156,0.509611983,0.919322456,0.04859304,0.559344875,0.609608846,0.606207829,15.88343011,19.10485362,40.73169827,0.878983683,1.775161549 +UMLMON0191,L,n-decane,CCCCCCCCCC,15600,"Use UML numbers if they are comfortable with them, Sandia values from the Co-optima database are Blended predicted values","Sandia, UML",[1],C10H22,PubChem,,40.5,0,2.4075,5.79605625,48.6502,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2115.628885,2089.387452,1445.789695,781.021083,214.034688,21.337344,0,4670.34144,5841.481647,7996.552878,8627.150907,7353.404818,5021.19798,2457.460751,652.758633,0,169.463656,175.052008,300.446356,343.926768,382.5223,355.885356,248.251392,141.087744,0,34.11358067,43.47862034,61.85917094,68.87187532,63.83170571,47.76926737,26.70896706,9.336871002,0,3856.790689,3411.659229,6406.831556,7256.509721,8465.861487,8397.962549,6148.313804,3883.270693,0,48.58333333,59.27777778,86.77777778,101.7777778,101,82,52,21,0,60.70275442,67.17251842,50.37211631,43.52890525,26.77388324,15.31413888,5.945408,1.016064,0,194.59756,243.3950686,190.3941161,179.7323106,136.1741633,98.45486236,68.26279863,31.08374443,0,7.060985667,7.293833667,7.153484667,7.165141,7.083746296,6.978144235,6.895872,6.718464,0,1.421399194,1.811609181,1.472837403,1.434830736,1.182068624,0.936652301,0.741915752,0.444612905,0,160.6996121,142.1524679,152.5436085,151.1772859,156.7752127,164.6659323,170.7864946,184.917652,0,2.024305556,2.469907407,2.066137566,2.12037037,1.87037037,1.607843137,1.444444444,1,0,0.044189239,5.90E-05,0.002022996,-0.019896154,-0.020681512,0.002495478,-0.003178997,0.017084574,0,706.2183858,-1.07E-13,186.6434305,-211.8655158,-489.308453,-229.5209754,-50.44417042,441.3864911,0,1313.243245,1.85E-13,347.0714291,-393.9729735,-909.8899627,-426.8040546,-93.80308893,820.7770282,0,0.138343333,2.23E-15,0.036562167,-0.041503,-0.095852167,-0.044961583,-0.009881667,0.086464583,0,5.870808328,1.37E-14,1.551570772,-1.761242498,-4.067631485,-1.908012707,-0.419343452,3.669255205,0,31.89032402,-1.08E-13,8.428157061,-9.567097205,-22.09543878,-10.36435531,-2.277880287,19.93145251,0,4.572916667,-0.982638889,1.973090278,-1.138888889,-3.1015625,-0.51953125,-1.151041667,2.634114583,0,0.001841218,2.46E-06,4.82E-05,-4.15E-04,-3.83E-04,4.89E-05,-8.83E-05,8.14E-04,0,29.42576608,-4.44E-15,4.443891203,-4.413864911,-9.061267649,-4.500411282,-1.401226956,21.01840434,0,54.71846854,7.70E-15,8.263605454,-8.207770282,-16.84981412,-8.368706954,-2.605641359,39.08462039,0,0.005764306,9.31E-17,8.71E-04,-8.65E-04,-0.00177504,-8.82E-04,-2.74E-04,0.004117361,0,0.244617014,5.71E-16,0.036942161,-0.036692552,-0.075326509,-0.037412014,-0.011648429,0.174726438,0,1.328763501,-4.51E-15,0.200670406,-0.199314525,-0.409174792,-0.203222653,-0.063274452,0.949116786,0,0.190538194,-0.040943287,0.04697834,-0.023726852,-0.057436343,-0.010186887,-0.03197338,0.125434028,0,0.001335033,0.026160164,-0.22512442,-0.208009539,0.026575311,-0.047960344,0.441854815,0,-1.51E-16,0.151020408,-0.15,-0.307936508,-0.152941176,-0.047619048,0.714285714,0,1.41E-16,0.151020408,-0.15,-0.307936508,-0.152941176,-0.047619048,0.714285714,0,1.62E-14,0.151020408,-0.15,-0.307936508,-0.152941176,-0.047619048,0.714285714,0,2.34E-15,0.151020408,-0.15,-0.307936508,-0.152941176,-0.047619048,0.714285714,0,-3.40E-15,0.151020408,-0.15,-0.307936508,-0.152941176,-0.047619048,0.714285714,0,-0.214882308,0.246556026,-0.124525437,-0.301442673,-0.053463755,-0.167805619,0.658314351,0,1.092354569,0.944685344,1.306393819,1.313041366,0.941018237,0.75792113,0.058022764,0,1.15,0.891836735,1.191071429,1.277777778,1.043697479,0.876190476,0,0,1.15,0.891836735,1.191071429,1.277777778,1.043697479,0.876190476,0,0,1.15,0.891836735,1.191071429,1.277777778,1.043697479,0.876190476,0,0,1.15,0.891836735,1.191071429,1.277777778,1.043697479,0.876190476,0,0,1.15,0.891836735,1.191071429,1.277777778,1.043697479,0.876190476,0,0,1.408757277,0.660302997,1.175904834,1.296211929,0.936888651,1.117691724,0,0,38.24282499,19.12141249,26.42333966,38.24282499,3.824282499,19.12141252,3.55E-15,0.19995093,0.019995093,-1.60968329,75.58025582,7.558025582,4.325195083,38.24282499,19.12141249,26.42333966,38.24282499,3.824282499,19.12141252,3.55E-15,0.19995093,0.019995093,-1.60968329,75.58025582,7.558025582,4.325195083,38.24282499,19.12141249,26.42333966,38.24282499,3.824282499,19.12141252,3.55E-15,0.19995093,0.019995093,-1.60968329,75.58025582,7.558025582,4.325195083,38.24282499,19.12141249,26.42333966,38.24282499,3.824282499,19.12141252,3.55E-15,0.19995093,0.019995093,-1.60968329,75.58025582,7.558025582,4.325195083,38.24282499,19.12141249,26.42333966,38.24282499,3.824282499,19.12141252,3.55E-15,0.19995093,0.019995093,-1.60968329,75.58025582,7.558025582,4.325195083,38.24282499,19.12141249,26.42333966,38.24282499,3.824282499,19.12141252,3.55E-15,0.19995093,0.019995093,-1.60968329,75.58025582,7.558025582,4.325195083,43.11175961,21.33032261,30.03762429,43.06642628,4.306642628,21.33032261,-0.113333333,0.342299028,0.034229903,-1.072070573,80.81193358,8.081193358,4.392124647,0,11.89,12.11015511,-0.155061143,0.065337848,5.683368061,9.072757309,10,24,21,18,4,3,0,0,0,6,15.304898,3.8433556,3.132835263,2.964333301,2.498799433,2.360199186,1.868741453,1.530815542,0.747976462,2.016998148,1.626174868,1.502579197,1.204962516,1.03468869,0.776022952,0.511477969,0.017275569,3.853231656,3.162322054,2.997538192,2.537086264,2.421127615,1.934274842,1.616229961,0.8612696,1.987018313,1.550329449,1.420567368,1.100730274,0.948890618,0.65452455,0.39424737,0.113150511,3.899174075,3.301292924,3.150894758,2.72839917,2.656165026,2.215473332,1.954136062,1.318266072,1.908913708,1.330483135,1.182676928,0.7729224,0.694581725,0.27043721,0.013918387,0.600693291,3.860630834,3.184601664,3.022438114,2.565991516,2.46484255,1.982145258,1.677290347,0.943089726,1.968908828,1.502095298,1.368444586,1.032004775,0.894622557,0.574421966,0.317608133,0.204591908,3.923315163,3.373108759,3.228942965,2.838710279,2.746892167,2.348852073,2.095963496,1.509711161,1.887104398,1.264839347,1.11104716,0.674695555,0.60353033,0.145177981,0.125335213,0.789729973,3.856922833,3.187415749,3.062765385,2.650724745,2.549961478,2.03745892,1.721129224,1.028274553,1.969637443,1.471852872,1.300868406,0.920574384,0.815298933,0.496856962,0.249514041,0.287109707,0,0,0,3,3,3,1,0,0,0,0,0,0.068041382,0.184195286,0,0,0,0.024056261,0.065122868,0.691044062,0,0.11785113,0,0.413066307,0,0.058925565,0,1.41820032,1.837206481,2.347559179,0.762367864,0.896277773,0.99128153,7.560477932,4.736382105,4.063836075,3.149041354,2.219131906,1.671267628,0.587806669,0.212378949,0.756047793,0.473638211,0.312602775,0.20993609,0.138695744,0.09830986,0.065311852,0.053094737,6.939157589,3.798694043,2.783492337,1.885537311,1.181155845,0.756348883,0.223191992,0.080493819,0.693915759,0.379869404,0.214114795,0.125702487,0.07382224,0.044491111,0.02479911,0.020123455,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.30504,43.1,42.60022158,58.59403027,85.20044317,8.520044317,42.60022158,0.005572597,5.57E-04,-5.189894143,64.21742664,6.421742664,4.162274617,80,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,3,0,0,0,0,0,0,0,0,3,0,1,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.855,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.133819444,0,0.645277778,0,0,1.133819444,0,0,0,0,0,0,0,0,6.498657407,0,1.146342593,0,0,6.60912037,0,0,0,0,4.24587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.36337963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0.285972222,0,0,0.363194444,0,0,0,0,0,0,0,0,2.1375,0,1.146342593,0,0,2.161203704,0,0,0,0,1.36337963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.389652778,0,0.359305556,0,0,0.389652778,0,0,0,0,0,0,0,0,2.196203704,0,1.146342593,0,0,2.259259259,0,0,0,0,1.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.5,1.85,0.389652778,2.259259259,0.116319444,1.146342593,6.185260046,0.353657407,0.259259259,2.215555556,0.353657407,0.259259259,2.215555556,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.3,0.3,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.12684,0.71268,12.04465,4.91782,0.49178,2.65706,0.26571,4.73636,2.0793,0.20793,0.17764,0.01776,0.26364,0.02636,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.321695404,3.29248125,3.490601563,3.621653522,3.621653522,23.51685016,55.72068971,79.01955001,83.77443751,86.91968454,86.91968454,0.213713581,0.506371732,0.718104292,0.761315182,0.789898177,0.789898177,3.605093744,2.263267096,1.29248125,1.094360938,0.963308978,0.963308978,0.206076118,0.48827557,0.692441461,0.734108128,0.761669655,0.761669655,6.772325919,18.0677644,22.48567837,23.60136356,23.73344101,23.73344101,37.92632204,26.17699528,19.8948625,18.26591511,17.93533532,17.93533532,8.1,3.408284024,1.991111111,2,6,2,2.56,1.28,0.646330407,4.431312644,3.807442432,0,2.620741394,7.485690587,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.1,0.505,0.68,4.871,13,15,16,17,9,4,1,0,0,95,2.63905733,3.198673118,3.669951444,4.092259056,4.52923362,4.123093976,3.361893332,2.151035195,0,0,5.80663986,3.489473684,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,5,0.666666667,2.5,1.333333333,0.6875,0.533333333,0.0625,0,0,0,0,0,0.25,0.102564103,0.057291667,0.076190476,0.020833333,0,0,0,0,0,0.506879579,23.74880641,33.19882277,47.49761282,4.749761282,23.74880641,0.044471669,0.004447167,-3.112902943,47.56259181,4.756259181,3.862046566,0,150.3504702,4.321928095,3.850147602,4.634728988,5.459585514,6.267200549,7.090909822,7.905072849,8.726967775,9.543449818,10.36429276,83.84235567,3.044522438,0,4.290459441,0,5.752572639,0,7.311218384,0,8.913415718,9.142382679,134.1095504,5.587897935,19.39764338,1.939764338,0,0,0,115,12,3.722,46,1.235345989,2.146071936,3.024895154,3.795366449,4.577870912,5.415358769,6.183631008,0,0,0,92.61138514,119.6930584,141.6482823,111.820102,76.93214684,33.69202817,6.282964857,0,0,0,323.1774761,440.0577444,570.1760285,549.005511,473.8338812,380.9472769,192.2104059,0,0,0,9.041223086,15.41654856,21.72583097,26.97056025,32.0120567,37.39744462,41.54450232,0,0,0,2.360044781,3.34779989,4.495906682,4.691997886,4.440028238,4.10793851,2.749322145,0,0,0,173.6889854,322.8178583,453.6722712,588.7159293,748.7848148,920.5828973,1143.462527,0,0,0,3.139385026,4.62684199,6.575621296,7.326689138,7.53850389,7.957024631,6.183631008,0,0,0,0.485982744,0.695635294,0.939616274,0.994356573,0.956543542,0.904265961,0.633203815,0,0,0,292.8959191,142.0224027,9.781740313,91.29543519,-44.26827491,-4.416045813,201.6004839,186.2906776,14.19778613,0.762369886,0.369665796,0.025460595,0.237630114,-0.115224547,-0.011494391,112.5280798,54.56377925,3.758060058,35.07491688,-17.00748849,-1.696606622,0.128480567,0.126331197,1.699667474,1.140235436,384.1913543,0,1,0,731.2346257,27.04135029,9.00918661,867.4900677,29.45318434,9.537213474,1292.801239,35.95554532,10.89374621,1.51569444,1.51569444,654.9361098,432.9234999,264.4485433,1.512821803,2.476610768,1.637080297,4.445103979,4.340721796,7.138102735,0.64445064,4.149702385,5.585879541,4.109580612,12.01387273,5.431310368,5.280268393,9.619956063,7.280286884,7.503442741,5.82618993,4.611120074,7.980410361,0.149888415,2.05E-06,5.47E-33,2.81E-81,2.78E-151,5.32E-243,0,0,0,0,0,0,0,0,0,0,0,0,0.348365374,4.824851572,0.305264119,6.365610579,1.750658052,1.392274942,1.019796476,1.061140097,0.858786695,0.391254354,0.204389442,0.056400931,0.001055676,1.44E-08,3.85E-35,1.98E-83,1.96E-153,3.75E-245,0,0,0,0,0,0,0,0,0,0,0,0,1.124299299,4.87570538,1.010898275,7.200898055,2.095425651,1.890320811,2.629626872,2.133008013,1.829374999,1.25642463,0.780054742,0.58621603,0.011000962,1.51E-07,4.01E-34,2.06E-82,2.04E-152,3.91E-244,0,0,0,0,0,0,0,0,0,0,0,0,3.916987257,5.502325481,3.8515982,11.55571851,5.062165913,4.937683051,9.041935894,6.829653482,6.960203993,5.407071557,4.226778479,7.110535707,0.133547879,1.83E-06,4.87E-33,2.50E-81,2.48E-151,4.74E-243,0,0,0,0,0,0,0,0,0,0,0,0,1.656953614,4.941639642,1.516348039,7.868611576,2.452805568,2.319976463,3.777970142,2.927481047,2.610183967,1.92284967,1.271386427,1.272861551,0.023895559,3.27E-07,8.71E-34,4.48E-82,4.44E-152,8.49E-244,0,0,0,0,0,0,0,0,0,0,0,0,5.011341757,5.937212998,5.093255363,13.83780117,6.961380166,6.667433609,11.81860685,9.02814766,9.669748744,7.476092231,6.16424362,11.63804492,0.218598166,2.99E-06,7.97E-33,4.10E-81,4.06E-151,7.77E-243,0,0,0,0,0,0,0,0,0,0,0,0,2.343514023,4.543994705,1.957528006,8.61993707,3.041773433,2.87001913,5.195016332,3.960157056,3.511257659,2.90508264,2.000363181,2.33248707,0.043795008,5.99E-07,1.60E-33,8.21E-82,8.14E-152,1.56E-243,0,0,0,0,0,0,0,0,0,0,0,0,4.518541636,2.813938032,0.444005894,0.58105189,0.361852152,0.554965708,0.55171962,0.360189359,7.776485562,15.97056035,29.39253476,0.414356063,1.466874686,3.096230983,1.829568769,0.159259287,0.608887912,0.359793024,0.267703659,0.234104356,0.046241763,5.085059039,6.449246866,12.43647274,0.453021405,0.548049777,3.598420367,2.182177693,0.260399289,0.595666603,0.36122805,0.357159582,0.334042484,0.123740678,6.040997349,9.357656279,17.44341109,0.435341979,0.814942744,4.476314608,2.785241972,0.435615088,0.581553173,0.361852651,0.544922172,0.540782034,0.346688835,7.697171668,15.63086293,28.75911769,0.415108736,1.432393041,3.846903564,2.354312614,0.310164912,0.59079687,0.361568856,0.406240033,0.388514319,0.175623368,6.51138109,10.98021325,20.30070013,0.428548589,0.970377719,4.65352681,2.905515918,0.4708101,0.579528281,0.361839249,0.587696399,0.587286777,0.405046255,8.029852829,17.07976989,31.47539722,0.412051296,1.580029431,4.479669655,2.788794411,0.435262417,0.581493861,0.362005896,0.545652486,0.542078487,0.346250752,7.703726483,15.65656693,28.79797356,0.415249636,1.433981725 +UMLMON0192,L,"1,4-dimethyl-2-ethylbenzene",CCC1=C(C=CC(=C1)C)C,15653,,"Sandia, UML",[1],C10H14,PubChem,,96,0,0.8404,0.70627216,30.8396,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1598.091777,1031.200804,399.786073,90.93168,9.144576,0,0,3399.790734,4570.930941,6845.084609,6384.093196,3638.87454,1247.927098,279.7536999,0,0,146.842108,152.43046,299.153988,407.329168,384.24106,163.638144,60.466176,0,0,25.74688067,35.11192034,55.82667958,59.24622745,39.28337506,14.68429815,4.001516144,0,0,3476.407621,3031.276161,6480.349218,9348.106878,9724.95334,4247.253023,1664.258868,0,0,32.30555556,39.25,65.94444444,86.33333333,70,30,9,0,0,48.76541633,56.15943233,38.04980421,17.77932421,7.139037018,3.78882,1.016064,0,0,161.8947969,217.6633782,162.978205,110.0705723,64.97990251,51.99696242,31.08374443,0,0,6.992481333,7.258593333,7.122714,7.02291669,6.8614475,6.818256,6.718464,0,0,1.226041937,1.671996207,1.329206657,1.02148668,0.70148884,0.611845756,0.444612905,0,0,165.54322,144.3464838,154.294029,161.1742565,173.6598811,176.9688759,184.917652,0,0,1.538359788,1.869047619,1.57010582,1.488505747,1.25,1.25,1,0,0,0.028021059,-0.002788608,-0.001600313,-0.022556882,0.005240851,0.002865749,0.004828673,0,0,564.9747087,4.62E-13,-40.35533633,-511.1675936,67.25889389,80.71067267,121.066009,0,0,1050.594596,0,-75.04247115,-950.5379679,125.0707852,150.0849423,225.1274134,0,0,0.110674667,1.58E-15,-0.007905333,-0.100134222,0.013175556,0.015810667,0.023716,0,0,4.696646663,7.55E-15,-0.335474762,-4.24934698,0.559124603,0.670949523,1.006424285,0,0,25.51225921,1.91E-14,-1.822304229,-23.08252024,3.037173716,3.644608459,5.466912688,0,0,2.145502646,-0.896825397,0.431216931,-1.341017889,0.625220459,-0.245653817,0.35430839,0,0,0.001334336,-1.33E-04,-3.81E-05,-3.89E-04,9.36E-05,1.19E-04,5.37E-04,0,0,26.90355756,2.20E-14,-0.960841341,-8.813234372,1.201051677,3.362944694,13.45177878,0,0,50.0283141,0,-1.786725503,-16.38858565,2.233406879,6.253539262,25.01415705,0,0,0.005270222,7.54E-17,-1.88E-04,-0.001726452,2.35E-04,6.59E-04,0.002635111,0,0,0.223649841,3.60E-16,-0.007987494,-0.073264603,0.009984368,0.02795623,0.111824921,0,0,1.214869486,9.09E-16,-0.043388196,-0.397974487,0.054235245,0.151858686,0.607434743,0,0,0.102166793,-0.042705971,0.01026707,-0.023120998,0.011164651,-0.010235576,0.039367599,0,0,-0.099518284,-0.02855554,-0.291464603,0.070137215,0.089487362,0.402086988,0,0,8.17E-16,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,0,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,1.43E-14,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,1.61E-15,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,7.48E-16,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,-0.418002466,0.100493218,-0.226306391,0.109278668,-0.100184957,0.385326757,0,0,1.527399563,1.117012583,1.325574756,0.684674058,0.657708233,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.935881628,0.733662145,1.250053149,0.6797164,1.165228113,0,0,0,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,27.96203969,13.89173413,20.50536604,27.83448867,3.976355525,13.89173666,-0.178571429,2.22E-16,3.17E-17,-25.23055737,2000016.269,285716.6099,10.15606611,0,11.89,12.11009426,-0.163181251,0.057741111,5.809849799,7.769255455,7,21,21,21,7,0,0,0,0,0,15.304898,3.670058915,2.933810622,2.568356182,2.214034341,1.840573327,0.98819579,0.898836676,0.083923071,1.820055384,1.784392849,1.296410032,1.14153701,0.728697418,0.430007647,0.32530402,0.083923071,3.693122535,2.974228832,2.620054894,2.281999042,1.918428202,1.111527094,1.02732901,0.270913902,1.759669096,1.720804688,1.191241112,1.027268224,0.590909257,0.279396622,0.161003297,0.270913902,3.794799492,3.153618635,2.846743542,2.56645936,2.244248759,1.597243875,1.531069198,0.943918427,1.584305129,1.534222857,0.856807739,0.656619408,0.134098508,0.227674607,0.41162516,0.943918427,3.710123482,3.00414231,2.658192536,2.331360111,1.975003119,1.199329816,1.118667035,0.399277246,1.721399536,1.680334487,1.122087157,0.95158259,0.498863226,0.178221864,0.04938883,0.399277246,3.84455841,3.240986499,2.955115796,2.695693538,2.39175294,1.802727072,1.743066004,1.207644823,1.530440043,1.476327506,0.744668785,0.52944963,0.025930955,0.408464249,0.626104263,1.207644823,3.69742235,3.129789868,2.768810474,2.445685514,2.071696928,1.330336592,1.256370784,0.626865672,1.691948461,1.647492979,0.938117443,0.765204986,0.360295356,0.035765205,0.126771621,0.626865672,0,0,0,0,0,2,3,2,0,0,0,0.11785113,0.23570226,0.11785113,0,0,0.11785113,0.23570226,0.11785113,0.577350269,0,0,0,0.577350269,0,0,0,0.741581624,1.040440115,0.589255651,0.741581624,1.040440115,0.589255651,5.276020882,3.2876937,3.023395961,1.95700308,1.491624578,0.638071187,0,0,0.753717269,0.469670529,0.335932885,0.217444787,0.149162458,0.127614237,0,0,5.276020882,3.2876937,3.023395961,1.95700308,1.491624578,0.638071187,0,0,0.753717269,0.469670529,0.335932885,0.217444787,0.149162458,0.127614237,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.4425,32.179,22.47266809,30.16393587,44.94533619,6.420762312,22.47266809,3.33E-16,4.76E-17,-24.9467318,2000014.736,285716.3909,10.15606557,42,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,4.701388889,0,4.418981481,0,0,0,2.046296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.350694444,0,1.472222222,0,0,0,1.023148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.350694444,0,1.47337963,0,0,0,1.023148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.16666667,1.595238095,0.2,2.350694444,0.2,1.023148148,5.030625,0.310185185,0.350694444,1.402777778,0.310185185,0.350694444,1.402777778,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.28571,0.28571,0,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.88311,0.9833,6.88311,0,0,3.28768,0.46967,3.28768,0,0,0.12632,0.01805,0.21232,0.03033,0.238095238,7,0,0,0,0,0,0,1,0.918295834,1.437181403,2.534243613,2.796613851,2.606137661,2.534243613,19.28421252,30.18080947,53.21911587,58.72889087,54.72889087,53.21911587,0.209068641,0.327203447,0.576971874,0.636705771,0.593340009,0.576971874,3.474021589,2.95513602,1.85807381,1.595703572,1.786179762,1.85807381,0.209068641,0.327203447,0.576971874,0.636705771,0.593340009,0.576971874,6.73287657,12.9595034,15.50715994,15.77158323,13.48586895,15.50715994,27.64912502,20.43243106,19.72855157,19.09910259,22.28154241,19.72855157,5.142857143,1.851851852,1.185185185,0,0,0,2.23,0.9863,0.25,2.620741394,2.309401077,0,1.889881575,4.762203156,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.167,9,9,10,5,0,0,0,0,0,47,2.079441542,2.302585093,2.302585093,2.397895273,1.791759469,0,0,0,0,0,3.871201011,1,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,0,2,4,1,2,0.666666667,0.569444444,0,0,0,0,0,0,0,0.285714286,0.074074074,0.142361111,0,0,0,0,0,0,0,0.502149471,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,0,117.2718924,3.807354922,3.496507561,4.234106505,5.043425117,5.802118375,6.610696045,7.378383713,8.182838711,8.955835144,9.75643661,73.46034778,2.708050201,0,3.931825633,2.397895273,5.303304908,4.59511985,6.736966958,6.502790046,8.206583614,8.621913502,98.10955045,4.671883355,13.45353991,1.921934272,0,0,0,41,4,3.861,32,1.343117981,2.387748184,3.30076489,4.055729021,4.90477517,5.618364738,0,0,0,0,95.70321648,107.3145279,66.93564181,32.92165967,19.89113576,5.708618149,0,0,0,0,339.7181944,434.5736926,389.9333773,280.5345184,264.8975453,174.6398136,0,0,0,0,9.8140227,17.10377092,23.25362753,27.88951434,33.48908162,37.74678123,0,0,0,0,2.502707816,3.446192002,3.543437782,2.966017675,3.079844572,2.497997467,0,0,0,0,189.8352978,361.5686675,526.5937837,699.5695377,864.2433504,1038.934816,0,0,0,0,2.571827921,3.916571251,5.04690928,5.187680066,6.248886434,5.618364738,0,0,0,0,0.516208864,0.721163011,0.758827304,0.652475557,0.687198687,0.575320549,0,0,0,0,301.3907856,108.0771834,7.681875059,54.21747512,-19.44210732,-2.775911306,247.1733105,127.5192907,10.45778637,0.847535951,0.303922027,0.021602071,0.152464049,-0.054672823,-0.007806093,107.1770531,38.4331392,2.731738229,19.28018203,-6.913773969,-0.987136992,0.082656363,0.173762382,1.532306508,1.699488296,355.6082607,0,1,0,340.3421315,18.44836393,6.981872358,475.9606367,21.8165221,7.807710088,540.9259275,23.25781433,8.147904551,1.170540799,1.079704131,380.6148952,359.2357983,138.1975316,1.059512713,2.754136711,2.599437154,4.130397679,3.964631517,7.232820171,0.824336042,3.904607748,3.492871915,2.203786955,9.905142693,10.1560406,6.933149317,5.684510452,10.86158054,4.289390457,1.376926042,1.954472533,0.667930616,0.004424831,7.94E-04,2.75E-26,1.83E-70,2.36E-136,5.86E-224,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,3.492623452,0.747249648,3.211139567,1.164599427,2.579858486,0.302784826,0.42632748,0.460604942,0.098123644,0.023665484,0.00472018,3.12E-05,5.59E-06,1.94E-28,1.29E-72,1.66E-138,4.13E-226,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,3.492640606,0.979796962,4.165462939,2.373448994,3.191054992,1.007074656,1.52651488,0.918209089,0.328241316,0.168882175,0.049063152,3.25E-04,5.83E-05,2.02E-27,1.35E-71,1.73E-137,4.30E-225,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,3.492844831,2.09170778,9.349565538,9.383957741,6.568507993,5.215577745,9.858407852,3.940398327,1.287702623,1.748216559,0.595125095,0.003942445,7.07E-04,2.45E-26,1.63E-70,2.10E-136,5.22E-224,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,3.492662347,1.158662878,4.942926757,3.389305738,3.692988914,1.607604108,2.587548826,1.328522286,0.495388641,0.342473094,0.106532621,7.05E-04,1.27E-04,4.38E-27,2.92E-71,3.76E-137,9.35E-225,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,3.492985676,2.64477942,12.12771149,13.26636384,8.394678047,7.579111867,14.98955131,5.711667093,1.719697268,2.818123535,0.974062203,0.0064532,0.001157883,4.01E-26,2.67E-70,3.44E-136,8.55E-224,0,0,0,0,0,0,0,0,0,0,0,0,2.593793786,3.311288551,1.290460218,6.065826389,5.455404525,4.588287564,2.969007901,5.035033834,2.670022247,0.851099565,0.818632869,0.262551613,0.001738784,3.12E-04,1.08E-26,7.21E-71,9.28E-137,2.30E-224,0,0,0,0,0,0,0,0,0,0,0,0,3.841498335,1.325580748,1.152801804,0.607843471,0.209747742,0.495868308,0.385181716,0.554347888,6.319880886,11.04883432,23.23903127,0.411765207,1.435397913,3.067508003,0.813448624,0.602042661,0.684253511,0.181451874,0.316269641,0.144907374,0.150377324,4.482999288,4.831761619,10.81701398,0.526380267,0.611554339,3.374731392,1.016890157,0.820927487,0.647424392,0.195085005,0.382710194,0.226582341,0.280394025,5.212549036,7.036933978,15.06668543,0.471136588,0.889686559,3.822319267,1.312905142,1.139180464,0.609192321,0.209247756,0.490927953,0.377848408,0.541290478,6.274404873,10.86828995,22.8594927,0.413788481,1.410066839,3.511753166,1.107553856,0.918432365,0.63414923,0.20000108,0.414399007,0.268834102,0.351296901,5.537739386,8.131976831,17.24191827,0.451223844,1.03453001,3.901547992,1.365263976,1.195442174,0.603744128,0.211267453,0.511497925,0.40859339,0.596220488,6.462254141,11.62281207,24.4527598,0.405616192,1.516311802,3.839437477,1.313315945,1.142992541,0.609846315,0.208603707,0.495332478,0.378207276,0.545018408,6.295745962,10.93195318,22.99111839,0.414769473,1.418558162 +UMLMON0193,L,"trans-1,3-dimethylcyclopentane",C[C@@H]1CC[C@H](C1)C,15656,Sandia values from independent API report ,Sandia,,C7H14,PubChem,,72.6,0,0.2418,0.05846724,35.9148,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1179.348079,1142.101302,959.569469,758.748484,606.355851,466.155986,281.592025,84.835296,3823.307636,4570.930941,5376.144415,4804.518492,3673.385169,3001.198312,2702.016388,2068.222976,1061.424631,154.382624,152.43046,269.01564,300.189236,210.43048,149.142252,168.475592,186.21226,123.32736,28.53578067,35.11192034,45.67750387,42.88055568,32.0805752,25.73477196,24.72432358,21.03814958,12.01662072,3603.201977,3031.276161,5978.638706,7088.53068,4869.904917,3263.769344,3876.645596,4616.702266,3137.747111,43.5,48.25,70,76.75,57.5,39.25,37,37,24,53.10626655,56.15943233,30.05529742,22.31556905,25.29161613,28.87408814,19.42316608,10.42933426,4.713072,173.7867107,217.6633782,141.4774846,111.7329882,122.4461723,142.9142053,112.5840162,76.60085098,58.96803508,7.017392,7.258593333,7.079358947,6.981145023,7.014349333,7.102012,7.019816333,6.89675037,6.85152,1.297080939,1.671996207,1.202039575,0.997222225,1.069352507,1.225465331,1.030180149,0.779190725,0.66759004,163.781908,144.3464838,157.3325975,164.8495507,162.3301639,155.4175878,161.5268998,170.9889728,174.3192839,1.977272727,2.297619048,1.842105263,1.784883721,1.916666667,1.869047619,1.541666667,1.37037037,1.333333333,0.046203753,0.001367201,-0.021739244,0.00210067,-5.02E-04,-0.013165071,5.14E-04,0.004920735,-0.001374424,616.3360458,-49.02673092,-162.0883757,61.03327726,-4.002182116,-181.0987407,-166.0905578,25.01363822,24.01309269,1146.103196,-91.16729966,-301.410256,113.4939853,-7.442228543,-336.7608416,-308.8524846,46.5139284,44.65337126,0.120736,-0.009604,-0.031752,0.011956,-7.84E-04,-0.035476,-0.032536,0.0049,0.004704,5.123614541,-0.407560248,-1.347444084,0.50737092,-0.033270224,-1.505477649,-1.380714308,0.207938902,0.199621346,27.8315555,-2.213873733,-7.319337649,2.756046893,-0.180724386,-8.177778484,-7.500062035,1.129527415,1.084346318,5.272727273,0.376033058,-1.061983471,-0.123966942,-1.099173554,-2.033057851,-0.388429752,0.869834711,-0.08677686,0.002100171,6.51E-05,-5.72E-04,4.89E-05,-1.67E-05,-6.27E-04,2.14E-05,1.82E-04,-7.64E-05,28.01527481,-2.334606234,-4.265483571,1.419378541,-0.133406071,-8.623749559,-6.920439908,0.926431045,1.334060705,52.0955998,-4.341299984,-7.931848842,2.639395007,-0.248074285,-16.03623055,-12.86885352,1.722738089,2.480742848,0.005488,-4.57E-04,-8.36E-04,2.78E-04,-2.61E-05,-0.001689333,-0.001355667,1.81E-04,2.61E-04,0.23289157,-0.019407631,-0.035459055,0.011799324,-0.001109007,-0.071689412,-0.057529763,0.007701441,0.011090075,1.265070705,-0.105422559,-0.192614149,0.064094114,-0.006024146,-0.389418023,-0.312502585,0.041834349,0.060241462,0.239669421,0.017906336,-0.027946933,-0.002882952,-0.036639118,-0.096812279,-0.016184573,0.0322161,-0.004820937,0.030999779,-0.272399477,0.023261341,-0.007972567,-0.29850343,0.010199657,0.086778409,-0.03635748,-0.083333333,-0.152255639,0.050664452,-0.004761905,-0.307823129,-0.24702381,0.033068783,0.047619048,-0.083333333,-0.152255639,0.050664452,-0.004761905,-0.307823129,-0.24702381,0.033068783,0.047619048,-0.083333333,-0.152255639,0.050664452,-0.004761905,-0.307823129,-0.24702381,0.033068783,0.047619048,-0.083333333,-0.152255639,0.050664452,-0.004761905,-0.307823129,-0.24702381,0.033068783,0.047619048,-0.083333333,-0.152255639,0.050664452,-0.004761905,-0.307823129,-0.24702381,0.033068783,0.047619048,0.074712644,-0.116606171,-0.012028869,-0.152873563,-0.403940887,-0.067528736,0.134418902,-0.020114943,1.105659887,1.289153846,1.084153106,1.353848316,1.471917525,0.642165143,0.54638114,0.58248561,1.375,1.194078947,0.863372093,0.9625,1.375,1.203125,0.763888889,0.6875,1.375,1.194078947,0.863372093,0.9625,1.375,1.203125,0.763888889,0.6875,1.375,1.194078947,0.863372093,0.9625,1.375,1.203125,0.763888889,0.6875,1.375,1.194078947,0.863372093,0.9625,1.375,1.203125,0.763888889,0.6875,1.375,1.194078947,0.863372093,0.9625,1.375,1.203125,0.763888889,0.6875,0.995689655,1.100499093,1.204089816,1.593103448,1.517241379,0.580818966,0.405651341,0.663793103,38.53033748,19.26516874,30.31407693,38.53033748,4.816292185,19.26516876,1.07E-14,0,0,0,58.6372194,7.329652425,3.257095711,38.53033748,19.26516874,30.31407693,38.53033748,4.816292185,19.26516876,1.07E-14,0,0,0,58.6372194,7.329652425,3.257095711,38.53033748,19.26516874,30.31407693,38.53033748,4.816292185,19.26516876,1.07E-14,0,0,0,58.6372194,7.329652425,3.257095711,38.53033748,19.26516874,30.31407693,38.53033748,4.816292185,19.26516876,1.07E-14,0,0,0,58.6372194,7.329652425,3.257095711,38.53033748,19.26516874,30.31407693,38.53033748,4.816292185,19.26516876,1.07E-14,0,0,0,58.6372194,7.329652425,3.257095711,38.53033748,19.26516874,30.31407693,38.53033748,4.816292185,19.26516876,1.07E-14,0,0,0,58.6372194,7.329652425,3.257095711,45.5753634,22.52279274,35.09217566,45.3878634,5.673482925,22.52279274,-0.375,5.55E-16,6.94E-17,-28.10189013,104.4682583,13.05853228,3.719106621,0,11.89,12.11011416,-0.165187158,0.05581999,5.032546819,6.677685149,7,21,20,20,6,0,0,1,0,1,15.304898,3.542796752,3.206090085,2.858745342,2.295078277,1.883945778,1.389161221,1.218535195,0.083923071,1.857485322,1.733537382,1.383106621,1.144408948,0.763948573,0.642256717,0.366070664,0.083923071,3.559808502,3.242647022,2.894549089,2.358272468,1.951253357,1.494469185,1.32693186,0.270913902,1.803703367,1.658883504,1.306840954,1.033584378,0.647663886,0.495282412,0.25648957,0.270913902,3.642010504,3.402216059,3.051085734,2.628243739,2.23269962,1.920124367,1.749446163,0.943918427,1.65988074,1.433748493,1.082136753,0.680097728,0.285816071,0.002410288,0.176953871,0.943918427,3.57273381,3.269532091,2.920886118,2.404505431,2.0001399,1.570146997,1.403964684,0.399277246,1.770640597,1.610832525,1.258287881,0.96061356,0.572227172,0.396395882,0.177247941,0.399277246,3.686446144,3.478908363,3.126733329,2.75337769,2.360589014,2.104931627,1.922846413,1.207644823,1.620027962,1.362019587,1.011581137,0.561359267,0.163815927,0.18174923,0.349091007,1.207644823,3.678135729,3.221121503,3.013027372,2.421221325,2.070723338,1.600310866,1.460490752,0.533333333,1.764728654,1.639750558,1.140708381,0.915971968,0.464379922,0.334603858,0.004887544,0.533333333,0,2,0,0,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.828427125,3.371320344,1.853553391,0.875,0.426776695,0.239276695,0.125,0.0625,0.728553391,0.481617192,0.308925565,0.175,0.106694174,0.079758898,0.0625,0.0625,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.66959,36.947,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,2,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.171944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.837222222,0.761111111,0,0,0,0,0,0,0,0,0,0,4.306797052,0,4.521258503,0,0,0,0,0,6.171944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.085972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.25125,0.380555556,0,0,0,0,0,0,0,0,0,0,2.153398526,0,1.069444444,0,0,0,0,0,3.085972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.085972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380555556,0.380555556,0,0,0,0,0,0,0,0,0,0,2.153398526,0,1.191184807,0,0,0,0,0,3.085972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15,1.875,0.380555556,3.085972222,0.181388889,1.069444444,4.811275981,0.430555556,0.585972222,2.957482993,0.430555556,0.585972222,2.957482993,4,0.5,0,0,0.44545,0.7,0.42308,0.42308,0.7,0.02238,0.02238,0,0,0.71429,0,0,0.25,0,0,5.5,0.6875,3.5,0.4375,2,0.25,-1.5,-0.1875,0,0,6.28952,0.78619,7.95768,1.66816,0.20852,3.15824,0.39478,3.91421,0.75597,0.0945,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,1,0.945660305,1.672933032,2.663532755,2.663532755,2.481714573,2.040373394,20.8045267,36.8045267,58.59772061,58.59772061,54.59772061,44.88821466,0.212058483,0.375144901,0.597280771,0.597280771,0.556509166,0.457541133,3.513771314,2.786498587,1.795898864,1.795898864,1.977717046,2.419058225,0.209052139,0.369826488,0.588813148,0.588813148,0.548619561,0.451054592,6.786633838,15.51390657,16.51225776,16.51225776,14.33043958,13.88564489,31.28312609,20.90511218,21.74036979,21.74036979,24.92458423,25.23906415,8,7,7.2,8,2,8,2.34,1.1498,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.113,0.096,0.161,0.08,3.1,6,5,4,3,2,1,0,0,0,36,2.302585093,2.397895273,2.48490665,2.564949357,2.302585093,1.945910149,1.386294361,0,0,0,4.234106505,1.888888889,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,4,0.571428571,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,141.6514183,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,110.1095504,5.004979566,14.83110795,1.853888494,0,0,0,84,5,3.682,26,1.229809524,2.127348653,2.91951107,3.833523086,5.299612267,6.073521029,7.122265547,8.060742987,9.453369179,0,79.35687146,73.38446218,78.8042692,119.0063123,170.1221623,134.6508676,83.86631961,41.69821637,9.605228102,0,291.7301475,327.6474687,363.3040963,537.7707891,799.1350337,742.4825654,578.4159419,503.2885017,293.8461116,0,8.959618463,15.11949346,20.45795403,27.0663651,37.70390427,42.81259702,49.21696526,55.36177015,63.51212051,0,2.186701859,2.719040868,3.132043447,4.533109254,6.727655669,6.64876557,5.766719663,5.604872882,4.203089931,0,175.4684249,330.4600799,475.8970781,609.2692408,819.3289785,967.6087749,1210.565943,1394.514917,1748.094832,0,2.919214286,4.090396861,5.476929617,7.843781296,10.10940402,9.730896884,9.998356065,11.0819235,9.453369179,0,0.452472857,0.573724509,0.666583482,0.959957688,1.422324524,1.420763541,1.257052832,1.241134521,0.968025004,0,419.2007065,178.0039611,11.32799576,172.4015073,-73.20634418,-10.84738484,246.7991992,251.2103053,22.1753806,0.708585426,0.300884542,0.019147994,0.291414574,-0.123742512,-0.018335606,248.000066,105.3075374,6.70166737,101.9931134,-43.30903528,-6.417336883,0.094150229,0.24207426,2.453533591,3.776002878,591.6022138,0,1,0,479.6336824,21.90054069,7.827742991,615.2521876,24.80427761,8.505197226,709.1746855,26.63033394,8.917663383,2.799789414,2.799789414,964.7497748,946.4929,45.73380127,1.019288972,21.09489585,20.69569714,4.449750168,5.508450727,9.883359694,0.794217682,3.91577913,5.622304094,2.9804238,10.02085333,4.293046668,5.151588799,0.499803633,2.820577996,8.402069187,5.686272113,3.236727624,2.820819075,8.847597282,2.883415723,2.700762431,0.058644673,0.969895171,0.991770587,0.491243373,3.21E-17,7.07E-55,3.13E-114,2.68E-195,4.44E-298,0,0,0,0,0,0,0.338858053,5.6220141,0.213746513,3.626455769,0.035835742,2.25767323,0.149824761,0.236652596,1.821211849,0.35108425,0.34702559,0.414088541,0.214424489,0.024919697,0.086401319,0.054676076,0.022417079,0.008932338,0.003459867,2.26E-19,4.98E-57,2.21E-116,1.89E-197,3.12E-300,0,0,0,0,0,0,1.068983902,5.622034029,0.713971479,4.185072613,0.329339617,2.836626988,0.221209269,0.763970927,2.553880698,1.21644795,0.792416717,0.90535327,1.031924061,0.218729273,0.371331979,0.055486151,0.111196672,0.077793126,0.036054484,2.35E-18,5.19E-56,2.30E-115,1.97E-196,3.26E-299,0,0,0,0,0,0,3.696802585,5.62227245,2.788227289,9.365264878,3.828836219,4.97026644,0.478359201,2.662350923,7.783175119,5.280531569,3.008717446,2.673480657,7.98487174,2.570568163,2.452725572,0.058401718,0.874879838,0.884990512,0.437689001,2.86E-17,6.30E-55,2.79E-114,2.39E-195,3.95E-298,0,0,0,0,0,0,1.570192408,5.622059369,1.076515438,4.790231316,0.70169383,3.237551223,0.270228423,1.125992853,3.238141927,1.876902845,1.141056531,1.242591189,1.873617342,0.46747468,0.640776927,0.056042242,0.203205186,0.164185413,0.078315158,5.11E-18,1.13E-55,5.00E-115,4.28E-196,7.07E-299,0,0,0,0,0,0,4.726550715,5.622437029,3.717954217,12.74809981,6.242966819,5.827666019,0.57922426,3.406468198,10.93882836,7.278386269,4.138972222,3.366347035,12.42135074,4.19827056,3.719034527,0.059544225,1.363717852,1.440052912,0.716432291,4.68E-17,1.03E-54,4.57E-114,3.92E-195,6.47E-298,0,0,0,0,0,0,1.923821346,4.783026444,1.581803853,5.346853449,1.2422676,4.337372679,0.361400591,1.802171053,4.505526909,3.322499902,1.266833963,1.428840334,2.914176893,0.826431943,0.892864137,0.064260084,0.333492283,0.289308044,0.139731448,9.12E-18,2.01E-55,8.91E-115,7.64E-196,1.26E-298,0,0,0,0,0,0,10.97520162,0.73025325,0.487680519,0.90011316,0.059890523,0.651168816,0.523326325,0.420354997,12.19313538,13.72319895,29.824936,0.850169739,1.594850138,8.470740595,0.290505539,0.126241022,0.953108617,0.032687028,0.387812213,0.082242269,0.028167377,8.887487157,3.566825732,12.76496643,0.929662926,0.498221858,9.424405709,0.457988327,0.26387635,0.928854185,0.045138589,0.480090743,0.20505065,0.123068338,10.14627039,6.923997872,18.20922925,0.893281277,0.80820973,10.9088911,0.71861322,0.478111087,0.901143043,0.059361973,0.643320925,0.506704905,0.404020153,12.10561541,13.39851209,29.25217101,0.851714564,1.554045983,9.866399233,0.535596279,0.327664115,0.919544475,0.04991736,0.52619743,0.280778158,0.18975934,10.72965963,8.692767376,21.15393746,0.879316713,0.996734928,11.18432523,0.76696156,0.51785955,0.896959978,0.061508746,0.676230475,0.577510081,0.473990218,12.46914634,14.76703552,31.67835391,0.845439967,1.727730774,10.89333899,0.716661813,0.47776785,0.901186919,0.059288181,0.641490819,0.504021627,0.403440268,12.08776865,13.3537252,29.17135105,0.851780378,1.548952715 +UMLMON0194,L,4-octyne,CCCC#CCCC,16029,,UML,[1],C8H14,PubChem,,65.9,0,-0.64,0.4096,33.7033,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,1864.442842,1358.168118,1048.469021,843.58378,525.761042,141.39216,12.192768,4371.159516,5876.91121,8447.051418,7895.772654,5990.278101,4734.809801,3502.884042,1769.041052,373.0049332,188.796996,195.98202,384.589288,530.70396,450.390452,333.75784,270.849224,205.5456,80.621568,33.10313229,45.14389758,70.19563559,73.27569674,56.67562801,44.09719592,34.06924277,20.0277012,5.335354858,4469.666941,3897.355064,8323.286703,12496.78781,10965.9484,8007.652027,6523.229959,5229.578518,2219.011824,39.52777778,48.58333333,83.5,103,84.33333333,64.5,54,37,12,48.76541633,56.15943233,34.5267193,17.87063313,16.13029263,17.57466208,13.48105236,4.713072,1.016064,161.8947969,217.6633782,156.4268781,103.8917455,92.15812463,98.64187085,89.81753955,58.96803508,31.08374443,6.992481333,7.258593333,7.122023852,6.982946842,6.929083877,6.953288333,6.944851897,6.85152,6.718464,1.226041937,1.671996207,1.299919178,0.964153904,0.871932739,0.918691582,0.873570327,0.66759004,0.444612905,165.54322,144.3464838,154.134939,164.4314186,168.7068984,166.8260839,167.2623067,174.3192839,184.917652,1.46399177,1.799382716,1.546296296,1.355263158,1.297435897,1.34375,1.384615385,1.233333333,1,0.037072334,-0.001625875,-0.01392983,-0.012247638,0.006577495,0.001818834,-0.005133968,-0.001256957,0.007261773,726.396054,7.32E-13,-242.132018,-269.0355756,107.6142302,-3.30E-13,-121.066009,-5.01E-13,161.4213453,1350.764481,-5.26E-13,-450.2548269,-500.283141,200.1132564,-2.20E-13,-225.1274134,6.39E-14,300.1698846,0.142296,2.04E-15,-0.047432,-0.052702222,0.021080889,-4.45E-16,-0.023716,-1.12E-15,0.031621333,6.038545709,1.67E-14,-2.01284857,-2.236498411,0.894599364,-3.55E-15,-1.006424285,-9.33E-15,1.341899046,32.80147613,-2.00E-13,-10.93382538,-12.14869486,4.859477945,4.35E-14,-5.466912688,1.11E-13,7.289216918,1.995884774,-0.345679012,-0.602880658,-0.432860844,0.194063405,0.35299497,-0.256401463,-0.291723823,0.384545039,0.001373049,-6.02E-05,-2.58E-04,-1.61E-04,1.01E-04,3.79E-05,-1.32E-04,-4.19E-05,6.05E-04,26.90355756,2.71E-14,-4.483926259,-3.539941784,1.655603542,-6.88E-15,-3.104256641,-1.67E-14,13.45177878,50.0283141,-1.95E-14,-8.33805235,-6.582672908,3.078665483,-4.59E-15,-5.77249778,2.13E-15,25.01415705,0.005270222,7.55E-17,-8.78E-04,-6.93E-04,3.24E-04,-9.27E-18,-6.08E-04,-3.75E-17,0.002635111,0.223649841,6.19E-16,-0.037274974,-0.029427611,0.013763067,-7.40E-17,-0.025805751,-3.11E-16,0.111824921,1.214869486,-7.40E-15,-0.202478248,-0.159851248,0.074761199,9.07E-16,-0.140177248,3.70E-15,0.607434743,0.073921658,-0.012802926,-0.011164457,-0.005695537,0.002985591,0.007354062,-0.006574396,-0.009724127,0.03204542,-0.043856837,-0.187873656,-0.11736878,0.073698895,0.027597245,-0.095874342,-0.03051497,0.440732651,1.01E-15,-0.166666667,-0.131578947,0.061538462,-2.56E-16,-0.115384615,-6.21E-16,0.5,-3.89E-16,-0.166666667,-0.131578947,0.061538462,-9.17E-17,-0.115384615,4.26E-17,0.5,1.43E-14,-0.166666667,-0.131578947,0.061538462,-1.76E-15,-0.115384615,-7.12E-15,0.5,2.77E-15,-0.166666667,-0.131578947,0.061538462,-3.31E-16,-0.115384615,-1.39E-15,0.5,-6.09E-15,-0.166666667,-0.131578947,0.061538462,7.46E-16,-0.115384615,3.05E-15,0.5,-0.173195876,-0.151030928,-0.077048291,0.04038858,0.099484536,-0.088937351,-0.131546392,0.433505155,1.489732056,1.335583277,1.042506351,0.792140882,0.89143286,1.058751384,0.793493797,0.004266865,1.444444444,1.364197531,1.083333333,0.8,0.902777778,1,0.722222222,0,1.444444444,1.364197531,1.083333333,0.8,0.902777778,1,0.722222222,0,1.444444444,1.364197531,1.083333333,0.8,0.902777778,1,0.722222222,0,1.444444444,1.364197531,1.083333333,0.8,0.902777778,1,0.722222222,0,1.444444444,1.364197531,1.083333333,0.8,0.902777778,1,0.722222222,0,1.675257732,1.145876289,0.895116658,0.768247423,0.791559278,1.336082474,1.194123711,0,45.56524589,22.78262294,35.72395513,45.56524589,5.062805099,22.78262295,1.42E-14,0.171643273,0.019071475,-1.586103258,41.71026418,4.634473798,3.357672518,45.56524589,22.78262294,35.72395513,45.56524589,5.062805099,22.78262295,1.42E-14,0.171643273,0.019071475,-1.586103258,41.71026418,4.634473798,3.357672518,45.56524589,22.78262294,35.72395513,45.56524589,5.062805099,22.78262295,1.42E-14,0.171643273,0.019071475,-1.586103258,41.71026418,4.634473798,3.357672518,45.56524589,22.78262294,35.72395513,45.56524589,5.062805099,22.78262295,1.42E-14,0.171643273,0.019071475,-1.586103258,41.71026418,4.634473798,3.357672518,45.56524589,22.78262294,35.72395513,45.56524589,5.062805099,22.78262295,1.42E-14,0.171643273,0.019071475,-1.586103258,41.71026418,4.634473798,3.357672518,45.56524589,22.78262294,35.72395513,45.56524589,5.062805099,22.78262295,1.42E-14,0.171643273,0.019071475,-1.586103258,41.71026418,4.634473798,3.357672518,49.19280152,24.54933286,38.79070061,49.11958479,5.457731643,24.54933286,-0.094135802,0.124667785,0.013851976,-1.873892519,38.95027515,4.32780835,3.296057253,0,11.9,12.1001487,-0.151266796,0.048897627,5.193495981,8.548818489,9,27,27,27,9,0,0,0,0,0,19.677726,3.660863672,3.285381105,2.76948047,2.459820995,2.263996146,1.735943527,1.257963203,1.19006016,1.896836388,1.724171079,1.665216142,1.293014981,0.888429861,0.757863935,0.633562799,0.560790128,3.684671296,3.319368665,2.8140429,2.510897621,2.32208987,1.821844876,1.372080091,1.30885592,1.83861344,1.655976007,1.592730563,1.19369725,0.761659068,0.62194973,0.488824221,0.407093666,3.789285398,3.467814757,3.009774687,2.734801489,2.573655847,2.178550892,1.826542856,1.778468089,1.669197461,1.452583651,1.37475354,0.882667505,0.348325709,0.172849073,0.003446808,0.120265824,3.702202562,3.344363718,2.846915285,2.548571849,2.364778502,1.884136477,1.453640313,1.39352899,1.801696726,1.612285733,1.546125468,1.128766247,0.677488076,0.531260614,0.391745447,0.303228991,3.840274167,3.539319073,3.103899217,2.841861735,2.69211622,2.338161778,2.021060612,1.978039144,1.616965201,1.38842831,1.305525168,0.780134221,0.206238368,0.016182923,0.169000196,0.313725571,3.703393347,3.434714538,2.956062727,2.613065204,2.460867619,2.023789332,1.616924043,1.559160296,1.763820377,1.550688261,1.444640639,0.967439832,0.505353253,0.368525191,0.215875255,0.107368995,0,0,0,0,0,1,7,1,0,0,0,0.144337567,0.102062073,0.072168784,0,0,0.144337567,0.102062073,0.072168784,0.204124145,0,0,0,0.204124145,0,0,0,0.433012702,0.612372436,0.390737207,0.433012702,0.612372436,0.390737207,6.527097737,4.431851653,3.292710979,2.440670698,1.791837386,0.90104757,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.221879154,0.149319782,0.112630946,0.082133213,0.06159991,6.527097737,4.431851653,3.292710979,2.440670698,1.791837386,0.90104757,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.221879154,0.149319782,0.112630946,0.082133213,0.06159991,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.3668,41.483,34.48494613,51.83729427,68.96989226,7.663321362,34.48494613,0.147136647,0.016348516,-1.7247542,45.42740457,5.047489396,3.434503993,86,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,1,0,7,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,2.286658163,0,10.43098073,0,0,0,1.115694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.286658163,0,1.385416667,0,0,0,1.115694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.286658163,0,1.527777778,0,0,0,1.115694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.83333333,1.537037037,0.2,2.286658163,0.2,1.115694444,6.489739175,0.217638889,0.286658163,0.738518519,0.217638889,0.286658163,0.738518519,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.11111,0.11111,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,9.2991,1.03323,9.2991,0,0,4.43185,0.49243,4.43185,0,0,-0.01785,-0.00198,0.06815,0.00757,0.185185185,9,0,0,0,0,0,0,1,0.918295834,1.247104744,2.252382635,2.911389817,2.976516671,3.306020262,24.79398752,33.67182808,60.81433114,78.60752505,80.36595013,89.26254708,0.193126721,0.262278496,0.473698407,0.612294153,0.625990977,0.69528885,3.836591668,3.507782759,2.502504867,1.843497686,1.778370831,1.44886724,0.193126721,0.262278496,0.473698407,0.612294153,0.625990977,0.69528885,6.73287657,10.67858349,15.82059603,15.47094556,17.67195961,17.18980639,35.54887502,30.33929922,23.96075827,25.1026477,21.88005118,21.73923557,7.111111111,3.92,2.380165289,4,0,4,2.45,1.2681,0,2.05068489,0.25,0,9.206272384,4.445544946,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,4.393,10,11,12,8,6,4,2,0,0,71,2.302585093,2.397895273,2.48490665,2.564949357,2.197224577,1.945910149,1.609437912,1.098612289,0,0,4.276666119,1,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,4,0.444444444,1,3,6,1,1,0.444444444,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0.111111111,0.044444444,0.037037037,0.025,0.02,0.027777778,0,0,0,0,0.26537037,22.78262294,35.72395513,45.56524589,5.062805099,22.78262295,0.171643273,0.019071475,-1.586103258,41.71026418,4.634473798,3.357672518,0,151.8638616,4.169925001,3.663561646,4.394449155,5.153291594,5.910796644,6.680854679,7.44716836,8.22067217,8.990566138,9.765316843,78.22667723,2.944438979,0,4.077537444,2.397895273,5.379897354,4.442651256,6.765038977,6.259581464,8.199464198,8.59822003,126.1408506,4.671883355,17.59254002,1.954726668,0,0,0,99,6,5.06,38,1.322351022,2.339635292,3.131560841,3.899407842,5.108606317,6.204524914,7.350130683,8.5441834,0,0,92.70728943,91.60856492,65.81762093,78.60548222,107.1564182,97.95277358,37.67621489,8.681437162,0,0,330.9230363,396.8289066,353.0425859,410.466677,557.9420492,608.9970915,456.3103074,265.5852132,0,0,9.657429115,16.7325229,21.9284977,27.16032195,35.66176715,43.25048942,50.46878031,57.40378858,0,0,2.444790845,3.229362156,3.187004664,3.730956711,5.03633097,5.768836123,5.08989461,3.798854201,0,0,187.2021646,355.6203245,510.5686797,647.3462646,841.908539,1025.561239,1272.570332,1579.970333,0,0,2.468202308,3.713067505,4.332502147,5.266672173,7.096899568,8.879834499,9.259412805,8.5441834,0,0,0.50452745,0.678666024,0.682869397,0.80133006,1.079985995,1.245703869,1.12742693,0.87492438,0,0,367.7790525,172.572938,9.485025799,53.87153995,-25.27813876,-2.927528984,313.9075125,197.8510768,12.41255478,0.872236537,0.409279487,0.02249499,0.127763463,-0.059950441,-0.006943021,155.0742554,72.76548154,3.999366747,22.71496673,-10.65854219,-1.23439433,0.06367742,0.138878209,0.774771225,1.253481796,421.6505924,0,1,0,464.5052698,21.55238432,7.744562373,638.8719193,25.2759158,8.612672499,766.0295146,27.6772382,9.14987514,1.789025819,1.789025819,1010.886721,959.6387104,121.344931,1.053403442,8.330687667,7.908354326,4.941179934,5.645455692,10.04009543,0.778438442,5.020209962,5.389929832,2.76154237,20.3162964,12.46544722,7.474705367,9.813123492,20.50813935,5.142177285,5.1814266,5.199423946,4.833497145,3.535245578,3.953551085,2.845428925,1.096576765,1.470203792,0.60593907,1.659813897,6.52E-10,9.62E-41,2.74E-93,1.51E-167,1.59E-263,0,0,0,0,0,0,0.421311435,5.389574021,0.788237171,6.362507002,0.742116104,1.868276427,0.675948931,0.867523261,1.16678651,1.277410726,1.22679591,0.128201386,0.333972703,0.118411315,0.107668277,0.387178404,0.107265275,0.018043126,0.011690205,4.59E-12,6.78E-43,1.93E-95,1.06E-169,1.12E-265,0,0,0,0,0,0,1.360044669,5.389598506,1.115945319,8.045485435,1.890723634,2.484340247,1.995923126,2.983956524,1.752067267,1.948419892,1.841053622,0.594636361,0.713420988,0.522714493,0.433970703,0.437261365,0.356886481,0.079864289,0.121820949,4.78E-11,7.06E-42,2.01E-94,1.10E-168,1.17E-264,0,0,0,0,0,0,4.738668689,5.389891018,2.614175273,19.04981531,11.30753489,6.944578912,9.060907547,18.63620326,4.818791276,4.897892061,4.886657658,4.370675742,3.242333908,3.584854986,2.595562747,1.019638977,1.376653741,0.549366015,1.478864299,5.81E-10,8.58E-41,2.44E-93,1.34E-167,1.42E-263,0,0,0,0,0,0,2.004455605,5.389629609,1.363201132,9.546795339,3.048687178,3.064120222,3.063900828,4.998784179,2.221002054,2.446424126,2.321108879,1.061512986,1.05525654,0.912649525,0.727010918,0.499766186,0.536730676,0.139577703,0.26461138,1.04E-10,1.53E-41,4.37E-94,2.40E-168,2.54E-264,0,0,0,0,0,0,6.062630571,5.390092881,3.337336428,25.47357352,17.25251033,9.649741486,12.8172012,28.1993017,6.430381637,6.281791805,6.436442395,6.745550792,4.729824696,5.470713345,3.863973733,1.419489636,1.828058863,0.838773497,2.420682576,9.51E-10,1.40E-40,4.00E-93,2.20E-167,2.33E-263,0,0,0,0,0,0,3.344863365,5.239658369,1.825609081,12.9668544,6.120821978,4.339391448,5.452990317,10.12299901,3.466671265,3.592858245,3.449083658,2.302846612,2.032450384,1.930610216,1.445659931,0.794902352,0.889120595,0.332328439,0.702571828,2.76E-10,4.07E-41,1.16E-93,6.37E-168,6.75E-264,0,0,0,0,0,0,8.37896046,1.182322505,0.763254676,0.811557936,0.114515782,0.532385249,0.359793172,0.436516033,10.32453764,17.20432745,35.09014944,0.717336904,1.328694454,7.353750306,0.684575725,0.277766893,0.884279478,0.082319393,0.410324378,0.120585121,0.057996576,8.316092924,7.266979792,16.98140651,0.826419216,0.588906075,7.760887043,0.882257644,0.470637287,0.851555048,0.096804778,0.456896963,0.200301244,0.166313692,9.113781974,10.91488808,23.25117152,0.777332571,0.8235119,8.353574942,1.169999007,0.751240259,0.813014695,0.113870575,0.529171121,0.352328547,0.422920605,10.27481421,16.92816654,34.54535843,0.719522043,1.304420273,7.94238367,0.970375593,0.556585552,0.838746906,0.102475473,0.478465414,0.242323488,0.232474017,9.469344815,12.6678083,26.42681099,0.75812036,0.953262919,8.458437012,1.220904306,0.800867113,0.807086717,0.116496186,0.542510958,0.383669747,0.480458341,10.48020843,18.07880831,36.82952511,0.710630075,1.406639047,8.379977737,1.172321793,0.753811581,0.813107645,0.11375016,0.532501013,0.353762673,0.425758023,10.30611111,17.02466453,34.73624362,0.719661468,1.312021709 +UMLMON0195,L,n-butylcyclopentane,CCCCC1CCCC1,16269,,"Sandia, UML",[3],C9H18,PubChem,,2,0,-0.352,0.123904,30.7917,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1670.734305,1161.411389,851.712292,525.761042,141.39216,12.192768,0,3885.475125,5223.921076,7533.504307,6888.974309,4983.479756,3502.884042,1769.041052,373.0049332,0,167.819552,174.20624,341.85978,467.81906,387.505552,270.849224,205.5456,80.621568,0,29.42500648,40.12790896,62.50794544,64.25416788,47.65409916,34.06924277,20.0277012,5.335354858,0,3973.037281,3464.315612,7399.084504,11017.83266,9486.993243,6523.229959,5229.578518,2219.011824,0,35.27777778,43.33333333,74.25,90.66666667,72.5,54,37,12,0,48.76541633,56.15943233,34.80696469,17.33449834,15.20914807,13.48105236,4.713072,1.016064,0,161.8947969,217.6633782,156.9480064,102.8205121,88.99070993,89.81753955,58.96803508,31.08374443,0,6.992481333,7.258593333,7.12207875,6.98237403,6.919742,6.944851897,6.85152,6.718464,0,1.226041937,1.671996207,1.302248863,0.959017431,0.850966056,0.873570327,0.66759004,0.444612905,0,165.54322,144.3464838,154.1475938,164.4452636,169.4105936,167.2623067,174.3192839,184.917652,0,1.469907407,1.805555556,1.546875,1.353233831,1.294642857,1.384615385,1.233333333,1,0,0.032888157,-0.001637627,-0.011866081,-0.01197559,0.008087382,-0.005059163,-0.001254792,0.007261791,0,645.6853813,6.47E-13,-201.7766817,-269.0355756,107.6142302,-121.066009,-5.01E-13,161.4213453,0,1200.679538,0,-375.2123557,-500.283141,200.1132564,-225.1274134,1.42E-13,300.1698846,0,0.126485333,2.94E-15,-0.039526667,-0.052702222,0.021080889,-0.023716,-1.83E-15,0.031621333,0,5.367596186,1.22E-14,-1.677373808,-2.236498411,0.894599364,-1.006424285,-7.13E-15,1.341899046,0,29.15686767,-1.14E-13,-9.111521147,-12.14869486,4.859477945,-5.466912688,6.99E-14,7.289216918,0,1.828703704,-0.347222222,-0.518518519,-0.514853395,0.617283951,-0.256365741,-0.28587963,0.391203704,0,0.00137034,-6.82E-05,-2.47E-04,-1.79E-04,1.44E-04,-1.30E-04,-4.18E-05,6.05E-04,0,26.90355756,2.69E-14,-4.203680868,-4.015456352,1.921682683,-3.104256641,-1.67E-14,13.45177878,0,50.0283141,0,-7.816924078,-7.466912552,3.573451007,-5.77249778,4.74E-15,25.01415705,0,0.005270222,1.22E-16,-8.23E-04,-7.87E-04,3.76E-04,-6.08E-04,-6.11E-17,0.002635111,0,0.223649841,5.07E-16,-0.034945288,-0.033380573,0.015974989,-0.025805751,-2.38E-16,0.111824921,0,1.214869486,-4.74E-15,-0.189823357,-0.181323804,0.086776392,-0.140177248,2.33E-15,0.607434743,0,0.076195988,-0.014467593,-0.010802469,-0.007684379,0.011022928,-0.006573481,-0.009529321,0.032600309,0,-0.049793812,-0.180400513,-0.130434897,0.105388115,-0.094664196,-0.030522641,0.441605224,0,1.00E-15,-0.15625,-0.149253731,0.071428571,-0.115384615,-6.21E-16,0.5,0,0,-0.15625,-0.149253731,0.071428571,-0.115384615,9.47E-17,0.5,0,2.32E-14,-0.15625,-0.149253731,0.071428571,-0.115384615,-1.16E-14,0.5,0,2.26E-15,-0.15625,-0.149253731,0.071428571,-0.115384615,-1.06E-15,0.5,0,-3.90E-15,-0.15625,-0.149253731,0.071428571,-0.115384615,1.92E-15,0.5,0,-0.189873418,-0.141772152,-0.100850179,0.144665461,-0.086270691,-0.125063291,0.427848101,0,1.488605628,1.315803524,1.046096484,0.752117971,1.054393045,0.791181367,0.004254605,0,1.4375,1.34765625,1.094216418,0.770089286,0.995192308,0.71875,0,0,1.4375,1.34765625,1.094216418,0.770089286,0.995192308,0.71875,0,0,1.4375,1.34765625,1.094216418,0.770089286,0.995192308,0.71875,0,0,1.4375,1.34765625,1.094216418,0.770089286,0.995192308,0.71875,0,0,1.4375,1.34765625,1.094216418,0.770089286,0.995192308,0.71875,0,0,1.688607595,1.113607595,0.902097109,0.655063291,1.289970789,1.152911392,0,0,34.64041819,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,3.55E-15,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,34.64041819,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,3.55E-15,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,34.64041819,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,3.55E-15,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,34.64041819,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,3.55E-15,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,34.64041819,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,3.55E-15,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,34.64041819,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,3.55E-15,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,37.71871477,18.81248238,29.35679057,37.64840227,4.706050283,18.8124824,-0.09375,0.119028274,0.014878534,-1.702715376,42.34760396,5.293450495,2.996729474,0,11.9,12.10012615,-0.151266825,0.048875396,5.259996263,8.391630245,8,24,24,24,8,0,0,0,0,0,17.491312,3.6567187,3.180951317,2.573024244,2.459820995,2.005678821,1.381928873,1.19006016,0.894438791,1.877259681,1.724171079,1.580445998,1.113224603,0.757863935,0.694816327,0.581995608,0.341460107,3.6806131,3.217776079,2.62142375,2.510897621,2.077203467,1.488518974,1.30885592,1.024518777,1.818620119,1.655976007,1.501159025,1.000668144,0.62194973,0.5547587,0.430761689,0.178603058,3.785626259,3.37852753,2.834266703,2.734801489,2.37973263,1.91761404,1.778468089,1.532127056,1.648286645,1.452583651,1.259608887,0.640589985,0.172849073,0.089316143,0.085436307,0.387981694,3.698209366,3.244859416,2.657155352,2.548571849,2.12937023,1.56499256,1.39352899,1.116809137,1.781464012,1.612285733,1.449902772,0.926476281,0.531260614,0.46111033,0.328739698,0.068039495,3.83681691,3.455783686,2.936493816,2.841861735,2.518216663,2.103320642,1.978039144,1.744985306,1.595874611,1.38842831,1.181990323,0.51921808,0.016182923,0.074111228,0.273467612,0.59975609,3.699262192,3.355402744,2.759134657,2.610468539,2.248749545,1.721877924,1.556921198,1.279604153,1.744507878,1.553333565,1.321993874,0.749890553,0.370812929,0.289136276,0.140230216,0.127673528,0,0,0,0,0,1,6,1,0,0,0,0.144337567,0.102062073,0.072168784,0,0,0.144337567,0.102062073,0.072168784,0.204124145,0,0,0,0.204124145,0,0,0,0.433012702,0.65464793,0.348461713,0.433012702,0.65464793,0.348461713,5.819990956,3.931851653,2.939157589,2.171668296,1.707286396,0.696923425,0.348461713,0.144337567,0.72749887,0.491481457,0.326573065,0.21716683,0.155207854,0.116153904,0.087115428,0.072168784,5.819990956,3.931851653,2.939157589,2.171668296,1.707286396,0.696923425,0.348461713,0.144337567,0.72749887,0.491481457,0.326573065,0.21716683,0.155207854,0.116153904,0.087115428,0.072168784,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.9767,36.866,28.3399353,42.00992493,56.67987059,7.084983824,28.3399353,0.132422925,0.016552866,-1.6174036,28.94593476,3.618241845,2.692343817,64,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,1,0,6,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,2.29,0,8.932222222,0,0,0,1.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.29,0,1.393518519,0,0,0,1.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.29,0,1.521666667,0,0,0,1.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.33333333,1.541666667,0.2,2.29,0.2,1.111111111,5.766833333,0.222222222,0.29,0.685185185,0.222222222,0.29,0.685185185,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.125,0.125,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,7.89328,0.98666,7.89328,0,0,3.93185,0.49148,3.93185,0,0,-0.01785,-0.00223,0.06815,0.00852,0.208333333,8,0,0,0,0,0,0,1,0.918295834,1.272055209,2.312907292,3.04248125,3.153107168,3.022055209,22.03910002,30.52932501,55.509775,73.01955001,75.67457204,72.52932501,0.200284263,0.277440701,0.504455007,0.663578219,0.687706207,0.659123212,3.666666667,3.312907292,2.272055209,1.54248125,1.431855332,1.562907292,0.200284263,0.277440701,0.504455007,0.663578219,0.687706207,0.659123212,6.73287657,10.97798907,16.03678815,16.77207105,17.2293066,15.8354706,31.59900002,26.53208126,21.08972448,20.41052656,19.44799209,21.55213073,6.125,3.111111111,1.8,3,0,3,2.34,1.1272,0,1.969259364,0.333333333,0,7.383136998,4.242640687,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,3.894,9,10,11,6,4,2,0,0,0,58,2.197224577,2.302585093,2.397895273,2.48490665,1.945910149,1.609437912,1.098612289,0,0,0,4.077537444,1,0.4,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,3,0.375,0,3,5,0.666666667,1,0.444444444,0.222222222,0.125,0.08,0,0,0,0,0,0.125,0.049382716,0.044444444,0.03125,0.04,0,0,0,0,0,0.29007716,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,0,134.567877,4,3.555348061,4.290459441,5.056245805,5.814130532,6.588926478,7.353081921,8.129469765,8.896040502,9.672374832,75.35607734,2.833213344,0,3.970291914,2.397895273,5.283203729,4.442651256,6.680854679,6.259581464,8.12474302,8.529319371,112.1252005,4.671883355,15.59010547,1.948763183,0,0,0,67,5,4.491,34,1.331436567,2.361972638,3.165652896,3.943421758,5.142612316,6.137942022,7.4569142,0,0,0,94.01800751,93.36179794,64.26725449,74.65076459,81.97005862,32.24280659,7.576702069,0,0,0,334.770918,402.6088497,352.3931561,398.7867445,505.0250124,386.9397135,231.7888152,0,0,0,9.725938808,16.89469797,22.16503274,27.41990316,35.84073351,42.17351277,50.0990096,0,0,0,2.47012952,3.270768803,3.200316594,3.665936772,4.777052743,4.297520496,3.315440283,0,0,0,188.3541604,358.8720753,516.1668496,658.1796565,850.6830486,1060.460576,1378.915065,0,0,0,2.494821346,3.752098019,4.370305691,5.319763673,7.354286824,7.782652891,7.4569142,0,0,0,0.509638069,0.687171677,0.686310181,0.788987414,1.031405456,0.951170135,0.763588014,0,0,0,336.1887675,139.9999529,8.653614775,52.92808041,-22.04097661,-2.878615351,283.2606871,162.0409295,11.53223013,0.863978955,0.359788978,0.022239116,0.136021045,-0.056643594,-0.007397817,130.8167135,54.47634038,3.367267305,20.59520782,-8.576515346,-1.120117732,0.071750613,0.156469216,0.872998791,1.441778533,389.116848,0,1,0,402.4237007,20.06050101,7.38291469,557.416278,23.60966493,8.229874559,652.7942547,25.54983864,8.674786092,1.615042933,1.615042933,688.1689553,637.2749632,114.2638666,1.079861904,6.022629688,5.577222111,4.545588214,4.466158665,8.815689176,0.973886249,4.462408855,4.441412524,2.465209864,15.34341864,10.49059757,7.474689727,9.018920009,17.00311868,4.758239052,3.87035923,5.589008986,1.851278374,4.303351157,1.089208272,1.375191484,0.008931927,0.033811293,4.60E-21,1.22E-61,6.24E-124,6.15E-208,1.16961470666E-313,0,0,0,0,0,0,0,0,0.374499053,4.441098819,0.766120239,5.349114402,0.72804976,1.868260915,0.553390636,0.834521502,0.261866085,1.176272704,1.234939164,0.093433362,0.28497845,0.018268677,0.028956736,6.31E-05,2.38E-04,3.24E-23,8.59E-64,4.39E-126,4.33E-210,8.23769204E-316,0,0,0,0,0,0,0,0,1.208928595,4.441120411,1.042735662,6.764280481,1.745376666,2.484324726,1.736267949,2.705343424,0.924697607,1.616232664,1.918440476,0.342422176,0.67347602,0.107166327,0.150442586,6.56E-04,0.002481558,3.38E-22,8.95E-63,4.58E-125,4.51E-209,8.584310207E-315,0,0,0,0,0,0,0,0,4.212149946,4.441378305,2.336356614,14.51051106,9.547871083,6.944563286,8.307821779,15.50756716,4.392772944,3.666528788,5.249842766,1.704811976,3.904614668,0.977761155,1.238540184,0.007958314,0.030125254,4.10E-21,1.09E-61,5.56E-124,5.48E-208,1.0421056464E-313,0,0,0,0,0,0,0,0,1.781738316,4.441147835,1.253468794,7.921288768,2.733361262,3.064104689,2.710132874,4.4140621,1.455417743,1.950900943,2.4485878,0.545954456,1.068359362,0.206703565,0.279359537,0.001424527,0.005390275,7.33E-22,1.94E-62,9.94E-125,9.80E-209,1.864626886E-314,0,0,0,0,0,0,0,0,5.389004952,4.44155627,2.970495092,18.67830142,14.37289084,9.649725787,11.87075724,23.11468168,6.213812437,4.669220088,6.927235656,2.43769149,5.953111562,1.553945712,1.942730392,0.013025772,0.049310594,6.71E-21,1.78E-61,9.09E-124,8.97E-208,1.7057731274E-313,0,0,0,0,0,0,0,0,2.972766162,4.31031944,1.635171322,10.27421475,5.252776752,4.313352886,4.980177525,8.653044657,2.613162818,3.043079569,3.827436407,1.00451472,2.164980679,0.511521193,0.660689846,0.003759079,0.014225935,1.94E-21,5.13E-62,2.62E-124,2.59E-208,4.9210962093E-314,0,0,0,0,0,0,0,0,6.371214618,1.237775652,0.768264571,0.760537281,0.147754327,0.517956011,0.361318013,0.429348092,8.377254841,13.73185197,28.16774442,0.640805921,1.308622116,5.418923789,0.736701306,0.282806567,0.841652762,0.114422478,0.374545881,0.128376632,0.058320369,6.438431662,5.732979431,13.30041117,0.762479143,0.561242881,5.79705776,0.935747749,0.475663788,0.804200937,0.129812268,0.428699727,0.206869095,0.164832625,7.208469297,8.62713552,18.41588287,0.706301405,0.800401447,6.34763043,1.225373885,0.756250726,0.762088614,0.147116865,0.514122655,0.354139247,0.41605171,8.329255042,13.50531058,27.71685057,0.643132921,1.284313612,5.965645104,1.024455006,0.561606655,0.789973087,0.135658738,0.454028306,0.247818511,0.229678506,7.551706765,10.03722173,21.02120722,0.68495963,0.931525324,6.445052843,1.276601267,0.805875287,0.755793682,0.149703532,0.530050203,0.384254855,0.472319919,8.527529397,14.45045285,29.60853281,0.633690523,1.386624977,6.369840912,1.22743943,0.758809276,0.762299258,0.146891607,0.517739716,0.355326386,0.418748051,8.356089618,13.58348069,27.87239189,0.643448886,1.291814152 +UMLMON0196,L,n-Propylcyclopentane,CCCC1CCCC1,16270,,"Sandia, UML",[1],C8H16,PubChem,,28.1,0,2.4289,5.89955521,53.7109,30.028688,6,6,27,11,16,0,11,0,0,0,0,0,0,0,0,0,1603.162355,1780.618739,2452.585479,2502.034766,1856.490561,1133.218637,396.652201,62.653248,3.048192,5156.02583,6494.471781,9302.533147,10714.80211,9637.156847,6793.434416,3287.35499,894.1188875,93.25123329,190.4411,196.827788,343.997916,450.339512,549.002052,500.213876,290.581732,122.529024,20.155392,37.79170648,48.49460896,71.89114818,86.91895714,85.21137226,64.47043818,33.7277258,10.67875791,1.333838715,4353.420349,3844.69868,7272.910459,9596.076866,12501.4826,12037.80623,7104.311107,3201.337319,554.7529561,54.59027778,65.625,97.16666667,127.5833333,141.6666667,115.25,63.5,22,3,59.37638352,65.94884219,51.09553081,39.71483756,23.80116104,15.73914774,9.444100024,3.480736,1.016064,190.9639196,240.5359919,193.8027739,170.0762239,123.5532929,94.35325577,78.27035691,49.67327153,31.08374443,7.053374074,7.289918074,7.16662325,7.148246222,7.038487846,6.947414944,6.918612667,6.807168,6.718464,1.399692833,1.796096628,1.497732254,1.379665986,1.092453491,0.895422753,0.80304109,0.593264328,0.444612905,161.2377907,142.3962474,151.5189679,152.3186804,160.275418,167.1917532,169.1502645,177.8520733,184.917652,2.02186214,2.430555556,2.024305556,2.025132275,1.816239316,1.600694444,1.511904762,1.222222222,1,0.058127274,-0.008957846,-0.001978305,-0.007391862,-0.025195266,-7.46E-04,-0.001508043,0.012451587,0.004261996,789.1710216,-9.17E-13,166.4034856,-343.7676799,-401.0622932,29.89284173,-70.74639209,164.4106295,60.28389749,1467.497214,3.69E-13,309.4343872,-639.2506801,-745.7924602,55.58701566,-131.5559371,305.7285862,112.1004816,0.154593185,1.50E-15,0.0325973,-0.067341728,-0.07856535,0.005855802,-0.013858733,0.032206914,0.011809202,6.560395338,1.65E-14,1.383315684,-2.857747969,-3.334039298,0.248499823,-0.588116249,1.366749029,0.501141311,35.6361716,-1.87E-13,7.514192749,-15.52333233,-18.11055438,1.349854985,-3.194656797,7.424202416,2.722207553,5.472736626,-1.251286008,1.841420896,-0.249657064,-2.938471651,-0.256772977,-1.04092364,0.794410151,0.36491198,0.002152862,-3.32E-04,-4.12E-05,-1.17E-04,-3.23E-04,-1.04E-05,-3.59E-05,6.92E-04,0.001420665,29.22855636,-3.39E-14,3.466739284,-5.456629839,-5.141824272,0.415178357,-1.684437907,9.133923861,20.0946325,54.35174865,1.37E-14,6.446549733,-10.14683619,-9.561441797,0.772041884,-3.132284216,16.98492145,37.3668272,0.005725674,5.57E-17,6.79E-04,-0.001068916,-0.001007248,8.13E-05,-3.30E-04,0.001789273,0.003936401,0.242977605,6.11E-16,0.028819077,-0.045361079,-0.042744094,0.003451386,-0.014002768,0.075930502,0.167047104,1.319858207,-6.91E-15,0.156545682,-0.2464021,-0.232186595,0.018747986,-0.076063257,0.41245569,0.907402518,0.202693949,-0.046343926,0.038362935,-0.003962811,-0.037672713,-0.003566291,-0.024783896,0.044133897,0.121637327,-0.154107454,-0.019144135,-0.054500073,-0.150040379,-0.004812061,-0.01667816,0.321318699,0.659896117,-1.16E-15,0.118607955,-0.186688312,-0.175917832,0.014204545,-0.05762987,0.3125,0.6875,2.52E-16,0.118607955,-0.186688312,-0.175917832,0.014204545,-0.05762987,0.3125,0.6875,9.73E-15,0.118607955,-0.186688312,-0.175917832,0.014204545,-0.05762987,0.3125,0.6875,2.51E-15,0.118607955,-0.186688312,-0.175917832,0.014204545,-0.05762987,0.3125,0.6875,-5.23E-15,0.118607955,-0.186688312,-0.175917832,0.014204545,-0.05762987,0.3125,0.6875,-0.22863991,0.189265321,-0.01955071,-0.185860079,-0.017594464,-0.122272501,0.217736629,0.600103393,1.273672314,0.892891929,1.033258176,1.057954408,0.922178731,1.091966055,0.714954206,0.335902452,1.181818182,0.955610795,1.234577922,1.125,0.858664773,0.902191558,0.443181818,0,1.181818182,0.955610795,1.234577922,1.125,0.858664773,0.902191558,0.443181818,0,1.181818182,0.955610795,1.234577922,1.125,0.858664773,0.902191558,0.443181818,0,1.181818182,0.955610795,1.234577922,1.125,0.858664773,0.902191558,0.443181818,0,1.181818182,0.955610795,1.234577922,1.125,0.858664773,0.902191558,0.443181818,0,1.43697716,0.732349727,0.984256039,1.201875176,0.950576887,1.032172734,0.527869161,0,47.46025007,23.73012503,34.64935777,47.46025007,4.314568188,23.73012503,-7.11E-15,0.185599102,0.016872646,-1.852582929,49.51856236,4.501687487,4.292582356,47.46025007,23.73012503,34.64935777,47.46025007,4.314568188,23.73012503,-7.11E-15,0.185599102,0.016872646,-1.852582929,49.51856236,4.501687487,4.292582356,47.46025007,23.73012503,34.64935777,47.46025007,4.314568188,23.73012503,-7.11E-15,0.185599102,0.016872646,-1.852582929,49.51856236,4.501687487,4.292582356,47.46025007,23.73012503,34.64935777,47.46025007,4.314568188,23.73012503,-7.11E-15,0.185599102,0.016872646,-1.852582929,49.51856236,4.501687487,4.292582356,47.46025007,23.73012503,34.64935777,47.46025007,4.314568188,23.73012503,-7.11E-15,0.185599102,0.016872646,-1.852582929,49.51856236,4.501687487,4.292582356,47.46025007,23.73012503,34.64935777,47.46025007,4.314568188,23.73012503,-7.11E-15,0.185599102,0.016872646,-1.852582929,49.51856236,4.501687487,4.292582356,64.10361848,31.66465033,47.51056634,63.98539075,5.816853705,31.66465033,-0.26010101,0.365237409,0.033203401,-1.107928471,46.05612696,4.186920633,4.212846884,0,11.85,12.15012665,-0.209780503,0.090376681,5.916040257,10.16944288,11,27,24,21,5,3,0,0,0,6,17.491312,3.823355146,3.375554321,2.78399923,2.619181914,2.468681621,2.333552793,1.718396463,0.941428501,2.018324896,1.758401211,1.472226899,1.249629723,1.082250302,0.967816307,0.812829382,0.310513972,3.834711867,3.399775442,2.831867427,2.645815032,2.500839706,2.405454588,1.807422744,1.053336623,1.985196063,1.700549596,1.377852704,1.134540686,1.007167592,0.889438122,0.681656021,0.150156259,3.88703864,3.509853915,3.043396489,2.771820215,2.704236987,2.642714838,2.173160225,1.517793787,1.898031938,1.532432104,1.085148025,0.798620231,0.76031856,0.671502886,0.24078774,0.396843083,3.843194545,3.417825289,2.867324407,2.665925019,2.524480089,2.457539916,1.871732255,1.134811365,1.965116389,1.663771552,1.316352478,1.058262671,0.960278991,0.840798682,0.593410059,0.041902902,3.9142293,3.565219061,3.144700318,2.838982085,2.838078588,2.713365918,2.335011211,1.721464227,1.873368949,1.481460071,0.990042072,0.738564276,0.631337262,0.606472227,0.084719847,0.594311107,3.854780281,3.392387234,2.914495913,2.753765251,2.576916759,2.561037979,1.905191903,1.252975057,1.983237324,1.638459183,1.246890245,0.944711449,0.861393398,0.776110823,0.526344375,0.087306151,0,0,0,5,1,3,1,0,1,0,0,0,0.102062073,0.051031036,0,0,0,0.032075015,0.016037507,1.194814383,0.204124145,0.348461713,0.102062073,1.040440115,0.176776695,0.201184464,0.058925565,2.342261593,2.638227255,2.54129406,1.725847483,1.594268428,1.21860637,8.319990956,5.165831887,4.677068452,3.621574357,2.172738226,1.513420006,0.637136847,0.378355001,0.756362814,0.469621081,0.311804563,0.213033786,0.135796139,0.09458875,0.063713685,0.047294375,7.593858127,4.221343774,3.603462271,2.439146959,1.093461461,0.626348247,0.250511218,0.126114201,0.690350739,0.383758525,0.240230818,0.143479233,0.068341341,0.039146765,0.025051122,0.015764275,15.33462243,26.10269483,24.80392157,25.08,17.38843593,204.4541246,0.567948979,0.966766475,0.918663762,0.928888889,0.644016145,7.572374983,3.3742,49.759,45.93735134,66.50730663,91.87470267,8.352245698,45.93735134,0.321355996,0.029214181,-1.248726322,42.4755007,3.861409155,4.123820201,99,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,4,0,0,5,0,0,0,0,0,0,0,0,3,0,1,0,0,5,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.10125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.939620181,0,1.112532596,0,0,1.939620181,0,0,0,0,0,0,0,0,6.789351852,0,1.191481481,0,0,10.66837963,0,0,0,0,1.43287037,0,0.334583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.43287037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.365347222,0,0.25461593,0,0,0.365347222,0,0,0,0,0,0,0,0,2.229166667,0,1.191481481,0,0,2.064722222,0,0,0,0,1.43287037,0,0.334583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.197916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.414064626,0,0.285972222,0,0,0.414064626,0,0,0,0,0,0,0,0,2.280092593,0,1.191481481,0,0,2.197916667,0,0,0,0,1.43287037,0,0.334583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.41666667,1.856060606,0.414064626,2.280092593,0.088541667,0.334583333,7.065686574,0.915416667,0.280092593,2.915462963,0.915416667,0.280092593,2.915462963,5.5,0.5,0,0,0.46296,0.7,0.43333,0.43333,0.7,0.02963,0.02963,0,0,0.71429,0,0,0.27273,0.09091,0.09091,11.5,1.04545,5.5,0.5,6,0.54545,0.5,0.04545,0,0,8.97362,0.81578,14.18916,5.21554,0.47414,3.22494,0.29318,5.16583,1.94089,0.17644,0.24817,0.02256,0.33417,0.03038,0.222222222,11,0,0,0,0,0,0,0.454545455,0.975119065,2.309409122,2.869929984,3.531941206,3.70804815,3.60601528,26.32821475,62.3540463,77.48810957,95.36241255,100.1173001,97.36241255,0.20507721,0.485691643,0.603574739,0.742802265,0.779839302,0.758380777,3.779768437,2.44547838,1.884957518,1.222946297,1.046839352,1.148872223,0.198724436,0.470646141,0.584877516,0.719792124,0.755681847,0.734888054,6.784181073,16.95897493,20.62190039,23.22489021,23.4023752,22.17798075,41.99082118,31.0845179,24.80567955,20.19092316,19.66260233,21.60813288,9.090909091,3.6,2.214532872,5,6,4,2.67,1.4209,1.144714243,5.206595347,1.310370697,2.381101578,6.945629182,3.532775529,2.620741394,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.184,0.171,0.474,0.643,5.004,15,17,16,16,10,8,2,0,0,106,2.708050201,3.198673118,3.630985476,4.000491653,4.399835855,3.976170825,4.037553728,2.784239339,0,0,5.839187112,3.231132075,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.181818182,5,0.454545455,0,3,6,1,3,1.777777778,0.6875,0.248888889,0.215277778,0.04,0,0,0,0,0.272727273,0.118518519,0.049107143,0.027654321,0.043055556,0.04,0,0,0,0,0.551062811,28.09726362,41.0630079,56.19452724,5.108593385,28.09726362,0.018854296,0.001714027,-4.368115921,159.5976451,14.50887683,5.579921523,0,167.6464548,4.459431619,3.970291914,4.762173935,5.609471795,6.428105273,7.278628942,8.103796713,8.954286157,9.781828264,10.63183294,87.52041594,3.135494216,0,4.418840608,0,5.932245187,0,7.527793988,0,9.159362817,9.380251909,148.1252005,5.486118537,21.29089635,1.935536032,0,0,0,150,14,4.423,52,1.237974213,2.163249352,2.996076744,3.65194967,4.241103792,5.500929407,6.600510226,7.865256659,0,0,91.72403858,121.8928161,125.146011,98.95865252,79.79546925,56.21652387,23.86430541,7.991604142,0,0,321.3314287,449.823157,527.7134696,480.9431083,449.2634277,448.4155109,334.5791922,244.4816279,0,0,9.056988609,15.56496726,21.4601157,25.7528409,29.62375558,38.12214627,44.96280145,52.84244372,0,0,2.351319141,3.420916811,4.246098859,4.156889351,4.13335984,4.543741144,3.969505921,3.496994611,0,0,174.2745411,323.4419629,453.2022489,582.0964842,696.935799,925.5909477,1171.363969,1454.424794,0,0,3.077366593,4.546007195,6.181416598,6.786787719,7.220916251,8.489665135,8.147505759,7.865256659,0,0,0.484370495,0.710631071,0.890573703,0.88375344,0.888545494,0.991489678,0.888758833,0.805402282,0,0,288.2060448,165.8499511,10.89610034,81.01172616,-46.6186989,-4.81509226,207.1943187,212.46865,15.7111926,0.780585517,0.449192764,0.029511311,0.219414483,-0.126263421,-0.013041334,106.4107935,61.23474928,4.023033881,29.91096896,-17.21245209,-1.777817631,0.107821063,0.112070617,1.342880411,0.803579109,369.217771,0,1,0,788.965793,28.0885349,9.240299714,945.0199318,30.74117649,9.813267923,1466.21399,38.29117379,11.36054378,1.838256537,1.838256537,753.5915064,682.5722904,214.249477,1.104046439,3.517355174,3.185876111,4.509961412,4.443439901,7.963231373,0.792132121,4.870821309,5.850007349,5.0609346,24.16933425,4.942530351,12.40455725,9.697314072,9.871809738,7.716784062,6.31905985,6.517497839,4.113746098,1.732841839,1.271591476,1.718141754,4.99E-13,2.93E-47,3.44E-103,8.03E-181,3.70E-280,0,0,0,0,0,0,0,0,0,0,0.408883799,5.667968554,0.362378656,9.426094575,2.150774485,1.840209314,1.515635919,1.725259534,1.405626751,0.447878333,1.267375559,0.335844884,0.082700053,0.068488127,0.012101013,3.52E-15,2.06E-49,2.42E-105,5.65E-183,2.61E-282,0,0,0,0,0,0,0,0,0,0,1.319660212,5.680133241,1.210245826,11.43439424,2.448869426,3.36810934,2.74167513,3.068671354,2.108627131,1.459109013,2.221686638,0.751963763,0.308297376,0.246277366,0.126101884,3.67E-14,2.15E-48,2.52E-104,5.89E-182,2.72E-281,0,0,0,0,0,0,0,0,0,0,4.597664636,5.830021258,4.733950571,22.91260417,4.675480682,11.53546991,9.039359542,9.260064894,7.123380522,5.893404233,6.154574287,3.756867379,1.592471217,1.173956564,1.53083337,4.45E-13,2.61E-47,3.06E-103,7.15E-181,3.30E-280,0,0,0,0,0,0,0,0,0,0,1.944879714,5.695904948,1.825300095,13.11027924,2.734194007,4.603582025,3.715150073,4.085739527,2.764985132,2.208871511,2.91163516,1.143032471,0.496189888,0.3884523,0.273910142,7.96E-14,4.66E-48,5.48E-104,1.28E-181,5.91E-281,0,0,0,0,0,0,0,0,0,0,5.882197583,5.934046053,6.316278943,29.2245616,6.04045525,15.87485312,12.31177388,12.26514999,10.14896753,7.970265763,7.908377368,5.577714813,2.297250184,1.660319128,2.505748275,7.28E-13,4.27E-47,5.01E-103,1.17E-180,5.40E-280,0,0,0,0,0,0,0,0,0,0,2.746897132,4.325481954,2.455501136,14.15048186,3.111418971,6.265005426,5.230634409,5.158019058,3.671186171,3.161802138,3.907396874,1.753263241,0.76918057,0.593894646,0.498740557,1.45E-13,8.49E-48,9.98E-104,2.33E-181,1.08E-280,0,0,0,0,0,0,0,0,0,0,5.013839291,1.691990553,0.926413718,0.656928628,0.221689801,0.484990578,0.502048021,0.335601455,7.632243562,14.69574147,30.18709419,0.485392942,1.322640054,4.306874114,0.963078063,0.484003918,0.7485066,0.167376679,0.358198882,0.16289842,0.090879475,5.753956095,6.69853348,14.46006812,0.6227599,0.611976776,4.560854722,1.225042323,0.643117075,0.709417437,0.190549017,0.401537723,0.263472519,0.161043055,6.429014119,9.308249245,19.33051285,0.564126156,0.826053297,4.993361807,1.670891029,0.913618443,0.658939908,0.220496096,0.481047588,0.489635905,0.326345864,7.57787128,14.43194775,29.63246976,0.488409863,1.297029357,4.684655257,1.352699052,0.720597697,0.693206352,0.200164051,0.423561474,0.321166296,0.202466104,6.757952007,10.68743234,22.01176059,0.539809528,0.947193874,5.07911211,1.759239912,0.967192689,0.650705658,0.225383362,0.497666834,0.542635266,0.365965227,7.805544711,15.54938082,31.99715659,0.476058488,1.406267328,5.005875215,1.673315262,0.913355213,0.659314467,0.220389225,0.483476613,0.491151411,0.326224477,7.59254569,14.47688084,29.72006189,0.488971701,1.300852501 +UMLMON0197,L,tert-amylbenzene,CCC(C)(C)C1=CC=CC=C1,16295,,UML,[1],C11H16,PubChem,,96.8,0,0.202,0.040804,31.7974,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1637.551784,758.929586,162.729504,12.192768,0,0,3885.475125,5223.921076,7758.63172,8463.052758,6034.399303,2421.799685,373.0049332,0,0,167.819552,174.20624,341.883496,485.318816,499.74356,346.633344,80.621568,0,0,29.42500648,40.12790896,63.51436973,74.85198059,60.78223392,29.3645722,5.335354858,0,0,3973.037281,3464.315612,7404.551417,11086.11766,12053.2006,9112.84921,2219.011824,0,0,36.55555556,44.52777778,74.83333333,102.9166667,100.3333333,58,12,0,0,48.76541633,56.15943233,37.32917321,23.73263455,10.54068869,3.190774588,1.016064,0,0,161.8947969,217.6633782,161.6381608,122.6529385,83.81110144,47.48626834,31.08374443,0,0,6.992481333,7.258593333,7.122572833,7.033606029,6.940882778,6.796732235,6.718464,0,0,1.226041937,1.671996207,1.323216036,1.084811313,0.844197693,0.575775925,0.444612905,0,0,165.54322,144.3464838,154.2614879,160.6683719,167.4055639,178.6833178,184.917652,0,0,1.523148148,1.855324074,1.559027778,1.491545894,1.393518519,1.137254902,1,0,0,0.032203389,-0.00310484,-0.004656838,-0.008608007,-0.018786557,0.011712848,0.0073417,0,0,645.6853813,6.61E-13,-80.71067267,-282.4873543,-403.5533633,282.4873543,161.4213453,0,0,1200.679538,0,-150.0849423,-525.297298,-750.4247115,525.297298,300.1698846,0,0,0.126485333,2.94E-15,-0.015810667,-0.055337333,-0.079053333,0.055337333,0.031621333,0,0,5.367596186,1.23E-14,-0.670949523,-2.348323331,-3.354747616,2.348323331,1.341899046,0,0,29.15686767,-1.14E-13,-3.644608459,-12.75612961,-18.22304229,12.75612961,7.289216918,0,0,2.314814815,-0.861111111,-0.018518519,0.293981481,-1.592592593,0.56712963,0.453703704,0,0,0.001341808,-1.29E-04,-9.70E-05,-1.25E-04,-2.61E-04,2.30E-04,6.12E-04,0,0,26.90355756,2.75E-14,-1.681472347,-4.094019628,-5.604907824,5.538967732,13.45177878,0,0,50.0283141,0,-3.126769631,-7.613004319,-10.42256544,10.29994702,25.01415705,0,0,0.005270222,1.22E-16,-3.29E-04,-8.02E-04,-0.001097963,0.001085046,0.002635111,0,0,0.223649841,5.11E-16,-0.013978115,-0.034033671,-0.046593717,0.046045556,0.111824921,0,0,1.214869486,-4.74E-15,-0.075929343,-0.184871444,-0.25309781,0.250120188,0.607434743,0,0,0.096450617,-0.03587963,-3.86E-04,0.004260601,-0.022119342,0.011120189,0.037808642,0,0,-0.096413462,-0.072303542,-0.092974359,-0.194457342,0.171159879,0.455958218,0,0,1.02E-15,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,0,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,2.32E-14,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,2.29E-15,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,-3.90E-15,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,-0.372,-0.004,0.044173913,-0.229333333,0.115294118,0.392,0,0,1.53434748,1.171936794,1.124488657,1.134752217,0.462469473,0.00373952,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.8975,0.8625,0.944,1.341666667,0.535764706,0,0,0,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,36.07402827,17.779571,24.920579,35.98375049,4.497968812,17.77957107,-0.180555556,0.008520244,0.001065031,-3.812248206,54.49313446,6.811641808,3.198459776,0,11.89,12.11011416,-0.161991078,0.059143413,6.149298971,8.44548837,8,24,24,24,8,0,0,0,0,0,17.491312,3.662568552,2.973800316,2.902915108,2.396031084,1.985393484,1.294917089,1.278176966,0.792390288,2.011212266,1.54022329,1.504387675,1.214685823,0.944510801,0.575155562,0.537874807,0.286758099,3.685758973,3.012007932,2.943626107,2.45799801,2.0604522,1.398197764,1.3877502,0.927978128,1.959396753,1.458846327,1.418464269,1.108835618,0.824247442,0.424099041,0.391206314,0.121362333,3.788142724,3.181205256,3.123867309,2.720080337,2.373479569,1.830041584,1.818711967,1.453306025,1.808680643,1.215027091,1.15985455,0.770046168,0.432297313,0.089676213,0.104383501,0.454358695,3.702862323,3.040251952,2.973724661,2.503161463,2.114921857,1.472638375,1.466485782,1.023904459,1.926561094,1.406557435,1.363143968,1.039081412,0.744462569,0.322298474,0.292586285,0.00904167,3.838313253,3.263640204,3.211539392,2.840509364,2.514780484,2.02143336,2.002311217,1.672222781,1.762127238,1.138255146,1.078139684,0.655480765,0.297024546,0.275653238,0.282281325,0.669501345,3.697560489,3.111926141,3.078965348,2.635037069,2.24090125,1.596068139,1.585467024,1.175105639,1.916863436,1.31336699,1.253825865,0.870102584,0.587742437,0.156504632,0.140887544,0.170893966,0,0,0,0,0,2,4,2,0,0,0,0,0.083333333,0.166666667,0,0,0,0.083333333,0.166666667,0.471404521,0,0.166666667,0,0.471404521,0,0.166666667,0,1.138071187,1.040440115,1.138071187,1.138071187,1.040440115,1.138071187,5.983127663,3.804530453,3.239024819,2.540336414,1.501661279,1.024377395,0.333333333,0.083333333,0.747890958,0.475566307,0.323902482,0.230939674,0.150166128,0.102437739,0.083333333,0.083333333,5.983127663,3.804530453,3.239024819,2.540336414,1.501661279,1.024377395,0.333333333,0.083333333,0.747890958,0.475566307,0.323902482,0.230939674,0.150166128,0.102437739,0.083333333,0.083333333,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,31.15378298,42.72358734,62.30756596,7.788445745,31.15378298,3.33E-16,4.16E-17,-28.51055062,41.24325189,5.155406487,2.975590007,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.757592593,0,5.90212963,0,0,0,2.006944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.378796296,0,1.47337963,0,0,0,1.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.378796296,0,1.477685185,0,0,0,1.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.378796296,0.2,1.003472222,5.75305787,0.329861111,0.378796296,1.515185185,0.329861111,0.378796296,1.515185185,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.47399,1.05925,8.47399,0,0,3.80452,0.47556,3.80452,0,0,0.10948,0.01369,0.19548,0.02444,0.25,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.522055209,2.688721876,2.284159128,2.284159128,22.03910002,34.03910002,60.52932501,64.52932501,54.81981907,54.81981907,0.200284263,0.309336409,0.550071066,0.586421781,0.498184909,0.498184909,3.666666667,3.166666667,2.062907292,1.896240625,2.300803373,2.300803373,0.200284263,0.309336409,0.550071066,0.586421781,0.498184909,0.498184909,6.73287657,12.73287657,15.67730206,14.01324374,13.60551527,13.60551527,31.59900002,23.74937501,22.16391042,24.55388542,25.09322045,25.09322045,6.125,2.52,1.487603306,0,0,0,2.34,1.1272,0.333333333,2.746356192,2.828427125,0,3.965406457,4.298279727,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,11,10,10,4,1,0,0,0,62,2.197224577,2.397895273,2.48490665,2.397895273,2.397895273,1.609437912,0.693147181,0,0,0,4.143134726,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,1.5,1.111111111,0.375,0.222222222,0,0,0,0,0,0,0.1875,0.111111111,0.046875,0.111111111,0,0,0,0,0,0,0.456597222,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,0,134.567877,4,3.610917913,4.369447852,5.153291594,5.932245187,6.717804695,7.501634458,8.287276756,9.072341874,9.857914707,76.50287504,2.833213344,0,4.043051268,0,5.476463552,0,7.00033446,0,8.555836815,8.796490207,112.1252005,4.671883355,15.53340973,1.941676217,0,0,0,60,8,4.43,36,1.224166127,2.094734878,2.813854178,3.496397331,4.289127608,5.173126425,0,0,0,0,78.54273178,86.40971975,73.29602737,40.50923001,14.36418292,5.256227528,0,0,0,0,289.3400736,361.0360131,364.9817505,309.7850726,208.7925072,160.8001397,0,0,0,0,8.917064339,14.96667722,19.84155555,24.3314836,29.17647278,34.75546366,0,0,0,0,2.17096299,2.90569308,3.177470147,3.073096038,2.510501321,2.300038767,0,0,0,0,174.752874,319.833565,448.426768,580.3820332,764.4503425,956.6023922,0,0,0,0,2.318653618,3.343180647,4.286947458,5.003882932,4.926127076,5.173126425,0,0,0,0,0.449298446,0.609701421,0.676241056,0.66790276,0.563347314,0.529728146,0,0,0,0,314.0667193,129.0714283,7.965781271,85.0686022,-34.96048868,-4.483545274,228.9981171,164.0319169,12.44932655,0.786867767,0.323377615,0.019957595,0.213132233,-0.087590566,-0.011233146,125.355121,51.51696601,3.179424668,33.95388389,-13.95396589,-1.789541284,0.072690831,0.151075692,0.768657499,1.168777185,399.1353215,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,951.9657456,30.85394214,9.83725148,1.172916589,1.045099943,357.2182754,212.6358272,199.117892,1.679953375,1.794003902,1.067889103,3.722902662,3.779648656,5.906129471,0.562613356,4.463031433,5.921819945,9.828480578,9.40995671,14.40496365,11.86691634,6.11316608,6.830983842,8.093884921,0.005426297,0.819679105,9.03E-16,1.92E-52,7.93E-111,6.33E-191,9.77E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375119025,5.573543104,0.715493259,4.033120893,0.872322458,2.242173947,1.516158473,0.203109987,0.213327658,3.82E-05,0.005773067,6.36E-18,1.35E-54,5.59E-113,4.46E-193,6.88E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.209548741,5.596816391,2.333232816,4.588566405,3.01815594,3.856243699,2.033398536,0.899577467,0.995666205,3.98E-04,0.060159809,6.62E-17,1.41E-53,5.82E-112,4.64E-192,7.17E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212772238,5.883582459,9.184831473,8.889020264,13.35841942,11.15368517,5.682766792,6.193009485,7.319142549,0.004834733,0.730319325,8.04E-16,1.71E-52,7.07E-111,5.64E-191,8.70E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.782358688,5.626990761,3.515738467,5.130817497,4.674245195,5.068336157,2.513503068,1.572586098,1.778048176,8.65E-04,0.130675144,1.44E-16,3.07E-53,1.26E-111,1.01E-191,1.56E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389628732,6.082603247,12.3089959,11.55649079,18.52746575,14.64849589,7.87588945,9.456784858,11.29429225,0.007913744,1.19542494,1.32E-15,2.81E-52,1.16E-110,9.23E-191,1.42E-292,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.967194044,5.276788689,5.726049812,6.223346311,7.542145705,8.165341041,4.147882013,3.45052873,3.978315626,0.002164507,0.32696341,3.60E-16,7.67E-53,3.16E-111,2.52E-191,3.90E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.277422687,2.223380044,0.704911056,0.43748519,0.427103781,0.522162411,0.578888149,0.405305054,5.205713787,8.236241762,17.01132637,0.296883458,1.506355614,1.659840868,1.532542713,0.243109024,0.48314494,0.446091111,0.277375432,0.276818133,0.048852061,3.435492605,3.319874283,7.373782038,0.393854076,0.603045627,1.905123919,1.80667067,0.42677241,0.460334198,0.436544985,0.365408761,0.383537446,0.149758249,4.138566999,5.026023031,10.63351144,0.345318774,0.898704455,2.26213303,2.206253873,0.693501196,0.438237518,0.427412185,0.515176315,0.570072526,0.392418028,5.161888099,8.089671418,16.71271286,0.298474556,1.477666869,2.014456778,1.928974381,0.508525036,0.452488005,0.433286919,0.408551069,0.436729387,0.212125698,4.451956195,5.891168988,12.31916983,0.328662386,1.057406154,2.325290586,2.277003796,0.740625936,0.43520967,0.426172142,0.544336911,0.60692576,0.446962433,5.342920318,8.703274077,17.9675832,0.292072717,1.598225104,2.268446772,2.214869336,0.69558958,0.438016621,0.427671302,0.518054112,0.574349497,0.39443048,5.178905688,8.142861166,16.81662676,0.298531884,1.486834089 +UMLMON0198,L,"cis-1,2-dimethylcyclohexane",C[C@@H]1CCCC[C@@H]1C,16628,Sandia values from independent api report ,Sandia,,C8H16,PubChem,,78.6,0,0.5524,0.30514576,33.7512,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1516.485775,813.449451,220.131072,21.337344,0,0,3885.475125,5223.921076,7758.63172,8237.925345,5757.609485,2643.963217,652.758633,0,0,167.819552,174.20624,341.883496,485.2951,497.372268,288.562176,141.087744,0,0,29.42500648,40.12790896,63.51436973,73.84555631,57.77506978,29.37664449,9.336871002,0,0,3973.037281,3464.315612,7404.551417,11080.65075,12249.43814,7257.819716,3883.270693,0,0,36.55555556,44.5,75.19444444,102.5833333,94.33333333,55,21,0,0,48.76541633,56.15943233,37.32917321,21.97805471,11.29790904,5.241216,1.016064,0,0,161.8947969,217.6633782,161.6381608,119.3902224,79.96679841,62.95150517,31.08374443,0,0,6.992481333,7.258593333,7.122572833,7.033262319,6.907948167,6.870528,6.718464,0,0,1.226041937,1.671996207,1.323216036,1.070225454,0.802431525,0.699443916,0.444612905,0,0,165.54322,144.3464838,154.2614879,160.5891412,170.1310852,172.8052313,184.917652,0,0,1.523148148,1.854166667,1.566550926,1.486714976,1.310185185,1.30952381,1,0,0,0.032199942,-0.002797727,-0.003697588,-0.018142177,0.001119485,-0.004814924,0.012232959,0,0,645.6853813,6.61E-13,-80.71067267,-403.5533633,-40.35533633,-80.71067267,282.4873543,0,0,1200.679538,0,-150.0849423,-750.4247115,-75.04247115,-150.0849423,525.297298,0,0,0.126485333,2.94E-15,-0.015810667,-0.079053333,-0.007905333,-0.015810667,0.055337333,0,0,5.367596186,1.23E-14,-0.670949523,-3.354747616,-0.335474762,-0.670949523,2.348323331,0,0,29.15686767,-1.14E-13,-3.644608459,-18.22304229,-1.822304229,-3.644608459,12.75612961,0,0,2.314814815,-0.888888889,0.342592593,-1.233796296,0.768518519,-0.939814815,0.793981481,0,0,0.001341664,-1.17E-04,-7.70E-05,-2.63E-04,1.55E-05,-1.15E-04,5.83E-04,0,0,26.90355756,2.75E-14,-1.681472347,-5.848599469,-0.560490782,-1.921682683,13.45177878,0,0,50.0283141,0,-3.126769631,-10.87572046,-1.042256544,-3.573451007,25.01415705,0,0,0.005270222,1.22E-16,-3.29E-04,-0.0011457,-1.10E-04,-3.76E-04,0.002635111,0,0,0.223649841,5.11E-16,-0.013978115,-0.048619531,-0.004659372,-0.015974989,0.111824921,0,0,1.214869486,-4.74E-15,-0.075929343,-0.264102062,-0.025309781,-0.086776392,0.607434743,0,0,0.096450617,-0.037037037,0.007137346,-0.017881106,0.010673868,-0.022376543,0.037808642,0,0,-0.086886076,-0.057416064,-0.195973098,0.011588896,-0.085446892,0.434178552,0,0,1.02E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,0,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,2.32E-14,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,2.29E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,-3.90E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,-0.384,0.074,-0.185391304,0.110666667,-0.232,0.392,0,0,1.52427482,1.164805064,1.242354694,0.820810083,0.919861694,0.002465251,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.909,0.78775,1.196,0.732166667,1.360285714,0,0,0,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,35.83226547,17.82585496,25.82505281,35.72762192,4.46595274,17.82585502,-0.180555556,0.003886333,4.86E-04,-4.440231442,56.95949686,7.119937107,3.233872347,0,11.89,12.11011416,-0.163184458,0.057757171,5.99173565,8.131494617,8,24,24,24,8,0,0,0,0,0,17.491312,3.657350533,3.042364541,2.853663763,2.228199052,2.17548746,1.377970367,1.099508061,0.848898167,2.009882053,1.585950347,1.461105401,1.122580275,1.066605404,0.622488404,0.413035098,0.330410394,3.680932934,3.078435564,2.895085076,2.297520321,2.243749091,1.481273271,1.209688389,0.983826043,1.957719315,1.506815679,1.37483188,1.009371871,0.952794097,0.47545632,0.259521562,0.166688749,3.784792767,3.239284907,3.077882533,2.587690342,2.531187307,1.901999654,1.656579633,1.505179962,1.805580128,1.271648566,1.11426999,0.642452217,0.585704835,0.021015099,0.262056834,0.403334114,3.698311237,3.105160529,2.925676806,2.347875851,2.293440723,1.555731248,1.289020676,1.079174122,1.924629286,1.45612622,1.31921624,0.934416605,0.877571657,0.376614638,0.156092313,0.055506268,3.83554735,3.318282267,3.166469981,2.719383743,2.662420938,2.08581738,1.850629028,1.722040714,1.758439799,1.19828528,1.031595087,0.516627122,0.460560939,0.199076829,0.450448455,0.616550127,3.693337584,3.202528088,2.992569805,2.501366942,2.414575883,1.676969391,1.403180493,1.232251244,1.913934192,1.349624362,1.230310518,0.753942722,0.722583699,0.2174035,7.08E-04,0.124359124,0,0,0,0,0,2,4,2,0,0,0,0,0.083333333,0.166666667,0,0,0,0.083333333,0.166666667,0.577350269,0,0,0,0.577350269,0,0,0,0.741581624,1.093412989,1.020220057,0.741581624,1.093412989,1.020220057,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,30.91733718,41.28122386,61.83467437,7.729334296,30.91733718,1.11E-16,1.39E-17,-29.38944046,4000010.293,500001.2866,12.16144599,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.741388889,0,5.899814815,0,0,0,2.025462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.472222222,0,0,0,1.012731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.476527778,0,0,0,1.012731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.370694444,0.2,1.012731481,5.7528125,0.320601852,0.370694444,1.482777778,0.320601852,0.370694444,1.482777778,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.42549,1.05319,8.42549,0,0,3.78768,0.47346,3.78768,0,0,0.12632,0.01579,0.21232,0.02654,0.25,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.605388542,3.105388542,3.105388542,3.105388542,22.03910002,34.03910002,62.52932501,74.52932501,74.52932501,74.52932501,0.200284263,0.309336409,0.568246423,0.677298569,0.677298569,0.677298569,3.666666667,3.166666667,1.979573959,1.479573959,1.479573959,1.479573959,0.200284263,0.309336409,0.568246423,0.677298569,0.677298569,0.677298569,6.73287657,12.73287657,16.67730206,17.18121457,17.18121457,17.18121457,31.59900002,23.74937501,20.87142917,19.56315834,19.56315834,19.56315834,6.125,2.52,1.8,0,0,0,2.34,1.1272,0.25,3.039342743,2.309401077,0,3.532775529,5.111544834,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,10,11,10,5,0,0,0,0,62,2.197224577,2.397895273,2.397895273,2.48490665,2.397895273,1.791759469,0,0,0,0,4.143134726,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,2,0.666666667,0.5,0.222222222,0,0,0,0,0,0,0.25,0.066666667,0.071428571,0.074074074,0,0,0,0,0,0,0.462169312,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,0,134.567877,4,3.610917913,4.343805422,5.141663557,5.888877958,6.690842277,7.44132039,8.24407127,8.995288991,9.798182591,76.15497037,2.833213344,0,4.043051268,0,5.451038454,0,6.947937069,0,8.479906607,8.727292029,112.1252005,4.671883355,15.53295821,1.941619777,0,0,0,61,7,4.43,36,1.224166127,2.094794846,2.815360989,3.489894013,4.439762854,5.234822833,0,0,0,0,78.54273178,86.43663066,67.8113012,45.08600372,24.51685715,5.318915027,0,0,0,0,289.3400736,361.1040737,354.6330967,300.4382172,288.8958816,162.7178951,0,0,0,0,8.917064339,14.96718785,19.8493851,24.17740647,30.5483984,35.16996875,0,0,0,0,2.17096299,2.906091803,3.130761575,2.946641408,3.180581352,2.327469786,0,0,0,0,174.752874,319.837531,448.5568451,588.4393715,763.6391302,968.0111471,0,0,0,0,2.316970341,3.363889538,4.261770818,4.721366424,5.924555878,5.234822833,0,0,0,0,0.449298446,0.609779712,0.667645828,0.640414087,0.702831927,0.536045858,0,0,0,0,319.7742077,131.5526727,8.141823588,80.41420178,-33.08178994,-4.13130653,239.3600059,164.6344627,12.27313012,0.799059143,0.328726844,0.020344976,0.200940857,-0.082665537,-0.010323404,127.9699316,52.64585487,3.258263432,32.18083151,-13.2389489,-1.653300989,0.072048215,0.151462109,1.219298384,1.257505672,400.1884095,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,944.3601888,30.73044401,9.810983759,1.450520005,1.450520005,381.2891891,275.4956943,155.7912984,1.384011427,2.447435723,1.768363812,3.772133311,3.780722771,6.119384403,0.618575276,4.463030408,6.04063106,10.54903683,10.27695489,18.11070208,7.982806813,8.977707478,8.889325298,6.051727121,1.418965368,2.063211621,5.11E-07,2.09E-34,1.66E-83,2.53E-154,7.43E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375119018,5.574379929,0.709898736,4.143463853,0.980576918,1.563715784,1.875205062,0.452500548,0.215868777,0.048916832,0.014531368,3.60E-09,1.48E-36,1.17E-85,1.78E-156,5.23E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.209548666,5.605536529,2.36556285,4.903279592,3.501264153,2.643424374,2.573215013,1.406741644,0.88926181,0.204144599,0.15142806,3.75E-08,1.54E-35,1.22E-84,1.85E-155,5.45E-248,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212771325,5.989441044,9.821913408,9.727356866,16.71675408,7.508268493,8.276948801,8.101173223,5.511268929,1.291073351,1.83828441,4.55E-07,1.87E-34,1.48E-83,2.25E-154,6.62E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.782358525,5.645931995,3.606852369,5.57100193,5.521412669,3.453069916,3.275590724,2.289802073,1.505279484,0.347648947,0.328921981,8.15E-08,3.34E-35,2.64E-84,4.03E-155,1.18E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389627238,6.255877998,13.3829241,12.50955793,23.66387409,9.832420878,11.87426607,12.11594233,8.260800307,1.94247179,3.009000246,7.45E-07,3.06E-34,2.42E-83,3.68E-154,1.08E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.967193635,5.314903157,6.001497642,7.323199855,9.59201458,5.152280359,5.42735884,4.72040677,3.229093153,0.767965652,0.822998542,2.04E-07,8.36E-35,6.61E-84,1.01E-154,2.96E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.058983373,1.717931863,0.67707967,0.560870229,0.314985968,0.522422968,0.507720656,0.420623378,5.453994906,8.489477195,17.5016104,0.341305344,1.450767002,2.233968092,1.169777309,0.222885384,0.615989943,0.322552082,0.279600997,0.235449416,0.046118985,3.626630785,3.371890284,7.580975225,0.423984915,0.561169398,2.561347011,1.387521326,0.403532162,0.588490653,0.318794497,0.366920236,0.331241845,0.150505751,4.3524005,5.147418981,10.93394196,0.382735979,0.848667832,3.038531807,1.704364152,0.66585856,0.561780313,0.315112129,0.515490141,0.499735204,0.406921799,5.408754519,8.33686256,17.19394188,0.34267047,1.422147145,2.707405743,1.484562455,0.483937736,0.579012021,0.317491942,0.409710374,0.379182186,0.216003492,4.675905934,6.047964516,12.66896764,0.368518031,1.004896052,3.123018961,1.760407985,0.712203533,0.55811744,0.314604045,0.544431012,0.533129594,0.464948749,5.595630479,8.975781441,18.48695561,0.337176161,1.542509355,3.054454474,1.707393034,0.667643312,0.562567389,0.314466511,0.52083036,0.501525612,0.40879914,5.42949082,8.394369934,17.30572364,0.343851083,1.431155113 +UMLMON0199,L,"cis-i,3-dimetmylcyclohexane",C[C@H]1CCC[C@H](C1)C,16629,Sandia values from independent api report ,Sandia,,C8H16,UML,"cis-1,3-dimethylcyclohexane",71,0,2.048,4.194304,33.4516,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1238.953135,960.504724,772.042996,271.436256,30.48192,0,0,3399.790734,4147.41404,5371.798596,5499.57267,4335.742164,2679.624282,932.5123329,0,0,146.842108,144.889944,254.804092,304.556368,371.274448,190.180224,201.55392,0,0,25.74688067,32.32302034,44.45683953,49.23237685,42.08235351,26.72103934,13.33838715,0,0,3476.407621,2904.481805,5677.860524,6733.31762,9339.72367,4293.28431,5547.529561,0,0,41.80555556,46.5,64.55555556,82.5,78.66666667,55,30,0,0,48.76541633,51.7541979,34.41536486,22.33731916,14.29709252,10.05319467,1.016064,0,0,161.8947969,207.370702,149.2166277,127.8970388,80.29152155,99.24534379,31.08374443,0,0,6.992481333,7.2444972,7.077891444,7.082706233,6.875452741,7.043712,6.718464,0,0,1.226041937,1.616151017,1.234912209,1.144938996,0.779302843,0.989668124,0.444612905,0,0,165.54322,145.2240902,157.7183479,156.5887819,172.9578457,159.01053,184.917652,0,0,1.990740741,2.325,1.793209877,1.918604651,1.456790123,2.037037037,1,0,0,0.042772446,-0.005673988,-0.004239037,-0.028452567,0.028597441,-0.037995364,0.026377291,0,0,564.9747087,-53.80711511,40.35533633,-511.1675936,363.198027,-524.6193723,403.5533633,0,0,1050.594596,-100.0566282,75.04247115,-950.5379679,675.3822403,-975.5521249,750.4247115,0,0,0.110674667,-0.010540444,0.007905333,-0.100134222,0.071148,-0.102769333,0.079053333,0,0,4.696646663,-0.447299682,0.335474762,-4.24934698,3.019272855,-4.361171901,3.354747616,0,0,25.51225921,-2.429738973,1.822304229,-23.08252024,16.40073807,-23.68995498,18.22304229,0,0,5.793650794,-2.139455782,2.103741497,-5.051020408,5.39569161,-6.079931973,2.87414966,0,0,0.002036783,-2.84E-04,-1.18E-04,-6.62E-04,5.30E-04,-0.001407236,8.79E-04,0,0,26.90355756,-2.690355756,1.120981565,-11.88761845,6.725889389,-19.43034712,13.45177878,0,0,50.0283141,-5.00283141,2.084513087,-22.10553414,12.50707852,-36.13156018,25.01415705,0,0,0.005270222,-5.27E-04,2.20E-04,-0.002328703,0.001317556,-0.003806272,0.002635111,0,0,0.223649841,-0.022364984,0.009318743,-0.098822023,0.05591246,-0.161524885,0.111824921,0,0,1.214869486,-0.121486949,0.050619562,-0.536802796,0.303717372,-0.87740574,0.607434743,0,0,0.275888133,-0.106972789,0.058437264,-0.117465591,0.099920215,-0.225182666,0.095804989,0,0,-0.139287968,-0.057812251,-0.324868946,0.260009147,-0.690910919,0.431682198,0,0,-0.1,0.041666667,-0.441860465,0.25,-0.722222222,0.5,0,0,-0.1,0.041666667,-0.441860465,0.25,-0.722222222,0.5,0,0,-0.1,0.041666667,-0.441860465,0.25,-0.722222222,0.5,0,0,-0.1,0.041666667,-0.441860465,0.25,-0.722222222,0.5,0,0,-0.1,0.041666667,-0.441860465,0.25,-0.722222222,0.5,0,0,-0.387739726,0.211815068,-0.425772539,0.36217656,-0.816210046,0.347260274,0,0,1.449945661,1.063002079,1.353046821,0.560170062,1.913783274,0.087688896,0,0,1.5,1.071428571,1.544850498,0.515873016,1.746031746,0,0,0,1.5,1.071428571,1.544850498,0.515873016,1.746031746,0,0,0,1.5,1.071428571,1.544850498,0.515873016,1.746031746,0,0,0,1.5,1.071428571,1.544850498,0.515873016,1.746031746,0,0,0,1.5,1.071428571,1.544850498,0.515873016,1.746031746,0,0,0,1.764383562,0.496765601,1.631251991,0.326737697,2.557077626,0,0,0,26.56346454,13.28173227,20.57934946,26.56346454,3.794780648,13.28173715,-3.55E-15,0.05926294,0.008466134,-1.978039783,33.21910597,4.745586567,2.452187634,26.56346454,13.28173227,20.57934946,26.56346454,3.794780648,13.28173715,-3.55E-15,0.05926294,0.008466134,-1.978039783,33.21910597,4.745586567,2.452187634,26.56346454,13.28173227,20.57934946,26.56346454,3.794780648,13.28173715,-3.55E-15,0.05926294,0.008466134,-1.978039783,33.21910597,4.745586567,2.452187634,26.56346454,13.28173227,20.57934946,26.56346454,3.794780648,13.28173715,-3.55E-15,0.05926294,0.008466134,-1.978039783,33.21910597,4.745586567,2.452187634,26.56346454,13.28173227,20.57934946,26.56346454,3.794780648,13.28173715,-3.55E-15,0.05926294,0.008466134,-1.978039783,33.21910597,4.745586567,2.452187634,26.56346454,13.28173227,20.57934946,26.56346454,3.794780648,13.28173715,-3.55E-15,0.05926294,0.008466134,-1.978039783,33.21910597,4.745586567,2.452187634,39.06663496,19.32081748,31.00686758,38.76306353,5.537580505,19.32081749,-0.425,0.115433646,0.016490521,-1.511341587,21.81299318,3.116141883,2.157754067,0,11.89,12.11009426,-0.173158075,0.049774147,5.798641854,7.822771901,6,20,19,19,5,1,1,0,0,1,15.304898,3.553668318,3.135864737,2.333552793,2.258160671,2.099516103,1.040866719,0.423019193,0.083923071,1.906683543,1.634937515,1.249629723,1.156667681,1.002020597,0.391171052,0.083923071,0.083923071,3.57588318,3.168924489,2.405454588,2.328169045,2.16725074,1.155849939,0.536208519,0.270913902,1.852043465,1.561783559,1.134540686,1.043414741,0.88536371,0.235110927,0.270913902,0.270913902,3.67636626,3.316136463,2.704236987,2.620435048,2.455789033,1.618398092,0.96371556,0.943918427,1.696968375,1.345761678,0.76031856,0.675471538,0.511003264,0.297956534,0.943918427,0.943918427,3.592399782,3.193399423,2.457539916,2.378974363,2.216770996,1.23839176,0.615759594,0.399277246,1.817732249,1.515066941,1.058262671,0.968360172,0.808372988,0.129777342,0.399277246,0.399277246,3.726936128,3.388477963,2.838982085,2.752732393,2.588903236,1.817646114,1.207644823,1.207644823,1.650475597,1.278619582,0.631337262,0.548962601,0.384463158,0.491875365,1.134173855,1.207644823,3.607983242,3.227198094,2.533369129,2.529124506,2.25743738,1.241900044,0.643137959,0.518518519,1.870174923,1.452996234,0.973568951,0.899529085,0.645712126,0.087057927,0.518518519,0.518518519,0,0,1,0,1,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.65824829,0,0,0,0.471404521,0.942809042,0.23570226,0.348461713,0.637136847,0.144337567,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,5.491563832,2.77005561,2.555077777,0.756710003,0.696923425,0,0,0,0.784509119,0.461675935,0.365011111,0.189177501,0.174230856,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,3,1,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.082314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.358819444,0,0,0,0.984930556,0.580555556,0,0.358819444,0,0,0,0,0,0,0,0,6.475555556,3.795277778,1.166666667,0,0,0,0.775462963,0,0,1.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.358819444,0,0,0,0.225625,0.290277778,0,0.358819444,0,0,0,0,0,0,0,0,2.069444444,3.795277778,1.166666667,0,0,0,0.775462963,0,0,1.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.795277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.358819444,0,0,0,0.290277778,0.290277778,0,0.358819444,0,0,0,0,0,0,0,0,2.203055556,3.795277778,1.166666667,0,0,0,0.775462963,0,0,1.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.5,1.928571429,0.358819444,3.795277778,0.065972222,0.775462963,4.714771204,0.55787037,0.795277778,2.541666667,0.55787037,0.795277778,2.541666667,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0.28571,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.15751,0.87964,7.47656,1.31905,0.18844,2.58458,0.36923,3.12588,0.5413,0.07733,0.28812,0.04116,0.28812,0.04116,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.153291232,3.141619208,3.141619208,2.932461236,2.191067441,19.28421252,45.21911587,65.97400337,65.97400337,61.58168595,46.01241626,0.209068641,0.49024035,0.715253226,0.715253226,0.667634179,0.498840869,3.474021589,2.239026191,1.250698215,1.250698215,1.459856187,2.201249982,0.209068641,0.49024035,0.715253226,0.715253226,0.667634179,0.498840869,6.73287657,17.21697421,18.21303588,18.21303588,15.70314021,10.35774293,27.64912502,16.33397711,15.95461758,15.95461758,14.69966974,11.54361837,7,3.06122449,6,7,2,5,2.23,1.0519,1.889881575,2,4.618802154,0,0,2,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.108,0.104,0.16,2.909,7,4,4,0,0,0,0,0,0,28,2.079441542,2.302585093,1.791759469,1.945910149,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,2.5,0.444444444,0.5,0,0,0,0,0,0,0,0.416666667,0.063492063,0.125,0,0,0,0,0,0,0,0.60515873,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,0,126.9918924,3.807354922,3.295836866,3.891820298,4.65396035,5.262690189,6.033086222,6.64509097,7.417580402,8.030409562,8.803424212,67.03389907,2.564949357,0,3.713572067,0,4.976733742,0,6.300785795,0,7.655864018,7.958576904,98.10955045,4.671883355,12.50916243,1.787023205,0,0,0,48,4,3.389,26,1.2229,2.118093692,2.9549114,3.512516939,4.361382119,4.853088774,0,0,0,0,73.6156376,83.40383548,71.02757209,56.69095268,44.81884911,4.931048792,0,0,0,0,277.7186352,345.6042922,392.325364,302.3412671,440.1858105,150.8521712,0,0,0,0,8.892335553,15.0567315,20.96163006,24.20356902,30.75533894,32.60530222,0,0,0,0,2.107286619,2.794594708,3.471256369,2.866888298,4.375006822,2.157745897,0,0,0,0,175.5375183,329.408772,460.3395848,603.5666074,690.7162688,897.4217812,0,0,0,0,2.902458333,3.997096366,5.751694205,5.243726469,8.854893075,4.853088774,0,0,0,0,0.4370085,0.587319164,0.739539937,0.621485981,0.947669004,0.49695629,0,0,0,0,364.1731586,153.2855854,10.51467528,128.4362926,-54.06063524,-7.909996058,235.736866,207.3462206,18.42467134,0.739273592,0.311170614,0.021344851,0.260726408,-0.109743398,-0.016057337,179.3951398,75.50992809,5.179628419,63.26893159,-26.63077985,-3.896538817,0.126942147,0.236870008,3.931508419,4.231169634,492.6094512,0,1,0,395.3145785,19.88251942,7.339181199,531.3577082,23.05119754,8.099576812,655.1910442,25.59669987,8.685389863,1.440028788,1.440028788,370.9979183,306.7240259,105.7888861,1.209549585,3.506964974,2.899397443,3.831399819,3.477616438,6.454647571,0.856055056,4.067936095,4.967321182,4.810510914,14.76589525,2.586804928,6.409091791,4.531913246,8.195698755,3.561317401,3.350747815,1.019213035,1.628283808,2.42E-13,6.96E-48,3.86E-104,4.12E-182,8.49E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0.341404395,4.9141681,0.251794559,6.879140016,0.421589548,0.277624723,0.339337268,0.39736244,1.021908003,0.035752714,0.007209786,0.011468136,1.71E-15,4.90E-50,2.72E-106,2.90E-184,5.98E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,1.102068962,4.917720392,0.912926819,8.014554576,0.593382827,1.067567488,0.853943094,1.447878599,1.434730916,0.277149654,0.074885106,0.119506819,1.78E-14,5.11E-49,2.83E-105,3.02E-183,6.23E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,3.839800494,4.961485616,4.436125146,14.11523247,2.358673616,5.870421772,4.154545626,7.526799532,3.36852544,2.993824123,0.908122076,1.450771558,2.16E-13,6.20E-48,3.44E-104,3.67E-182,7.57E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,1.62424134,4.922325675,1.446763509,8.93485223,0.791533585,1.746903079,1.308509734,2.329745374,1.749453367,0.572100047,0.162583224,0.25958478,3.87E-14,1.11E-48,6.15E-105,6.57E-183,1.35E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,4.912619538,4.991858841,6.304903913,17.36557779,3.539994565,8.588966115,6.06618275,10.88975477,4.317525958,4.847110665,1.486324053,2.374698905,3.54E-13,1.02E-47,5.63E-104,6.01E-182,1.24E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,2.256336612,3.54572579,1.793831072,9.912816237,1.012851081,2.44632545,1.592917559,2.947552757,2.166814666,0.943388317,0.274136859,0.437782752,6.52E-14,1.87E-48,1.04E-104,1.11E-182,2.28E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,3.779273987,1.467824,0.562681814,0.650502105,0.252647097,0.533388532,0.542890633,0.47448388,5.809779801,8.499755673,17.4309054,0.475753157,1.550763045,2.92324022,0.86670502,0.213288722,0.730219679,0.216501216,0.31951876,0.190538964,0.068146845,4.003233962,3.341939551,7.885559042,0.595329519,0.578204569,3.262946535,1.105606946,0.35218185,0.691194551,0.234202273,0.397822537,0.309233813,0.18587784,4.720735331,5.146061599,11.13730576,0.536791826,0.892934191,3.758054453,1.452957633,0.55404273,0.651867948,0.252028416,0.527422974,0.532036421,0.460029583,5.765054816,8.347417266,17.13770822,0.477801922,1.519488977,3.414493877,1.212028472,0.414032875,0.677404319,0.24045535,0.435539997,0.371198637,0.25691388,5.040555223,6.053996142,12.80801143,0.516106478,1.063652514,3.845714308,1.51436169,0.58972579,0.646360071,0.254523049,0.552286063,0.577564783,0.521174944,5.949801788,8.984777471,18.36902574,0.469540107,1.65102579,3.761594179,1.457045299,0.554144328,0.651608358,0.252399076,0.528453811,0.53499639,0.458879825,5.772783805,8.372692579,17.18263788,0.477412538,1.522330027 +UMLMON0200,L,"2,4-Dimethyl-1-Pentene",CC(C)CC(=C)C,16657,,"Sandia, UML",[1],C7H14,PubChem,,84.6,0,0.8404,0.70627216,30.8396,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1598.091777,1031.200804,399.786073,90.93168,9.144576,0,0,3399.790734,4570.930941,6845.084609,6384.093196,3638.87454,1247.927098,279.7536999,0,0,146.842108,152.43046,299.153988,407.329168,384.24106,163.638144,60.466176,0,0,25.74688067,35.11192034,55.82667958,59.24622745,39.28337506,14.68429815,4.001516144,0,0,3476.407621,3031.276161,6480.349218,9348.106878,9724.95334,4247.253023,1664.258868,0,0,32.30555556,39.25,65.94444444,86.33333333,70,30,9,0,0,48.76541633,56.15943233,38.04980421,17.77932421,7.139037018,3.78882,1.016064,0,0,161.8947969,217.6633782,162.978205,110.0705723,64.97990251,51.99696242,31.08374443,0,0,6.992481333,7.258593333,7.122714,7.02291669,6.8614475,6.818256,6.718464,0,0,1.226041937,1.671996207,1.329206657,1.02148668,0.70148884,0.611845756,0.444612905,0,0,165.54322,144.3464838,154.294029,161.1742565,173.6598811,176.9688759,184.917652,0,0,1.538359788,1.869047619,1.57010582,1.488505747,1.25,1.25,1,0,0,0.028021059,-0.002788608,-0.001600313,-0.022556882,0.005240851,0.002865749,0.004828673,0,0,564.9747087,4.62E-13,-40.35533633,-511.1675936,67.25889389,80.71067267,121.066009,0,0,1050.594596,0,-75.04247115,-950.5379679,125.0707852,150.0849423,225.1274134,0,0,0.110674667,1.58E-15,-0.007905333,-0.100134222,0.013175556,0.015810667,0.023716,0,0,4.696646663,7.55E-15,-0.335474762,-4.24934698,0.559124603,0.670949523,1.006424285,0,0,25.51225921,1.91E-14,-1.822304229,-23.08252024,3.037173716,3.644608459,5.466912688,0,0,2.145502646,-0.896825397,0.431216931,-1.341017889,0.625220459,-0.245653817,0.35430839,0,0,0.001334336,-1.33E-04,-3.81E-05,-3.89E-04,9.36E-05,1.19E-04,5.37E-04,0,0,26.90355756,2.20E-14,-0.960841341,-8.813234372,1.201051677,3.362944694,13.45177878,0,0,50.0283141,0,-1.786725503,-16.38858565,2.233406879,6.253539262,25.01415705,0,0,0.005270222,7.54E-17,-1.88E-04,-0.001726452,2.35E-04,6.59E-04,0.002635111,0,0,0.223649841,3.60E-16,-0.007987494,-0.073264603,0.009984368,0.02795623,0.111824921,0,0,1.214869486,9.09E-16,-0.043388196,-0.397974487,0.054235245,0.151858686,0.607434743,0,0,0.102166793,-0.042705971,0.01026707,-0.023120998,0.011164651,-0.010235576,0.039367599,0,0,-0.099518284,-0.02855554,-0.291464603,0.070137215,0.089487362,0.402086988,0,0,8.17E-16,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,0,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,1.43E-14,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,1.61E-15,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,7.48E-16,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,-0.418002466,0.100493218,-0.226306391,0.109278668,-0.100184957,0.385326757,0,0,1.527399563,1.117012583,1.325574756,0.684674058,0.657708233,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.935881628,0.733662145,1.250053149,0.6797164,1.165228113,0,0,0,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,27.96203969,13.89173413,20.50536604,27.83448867,3.976355525,13.89173666,-0.178571429,2.22E-16,3.17E-17,-25.23055737,2000016.269,285716.6099,10.15606611,0,11.89,12.11009426,-0.163181251,0.057741111,5.809849799,7.769255455,7,21,21,21,7,0,0,0,0,0,15.304898,3.670058915,2.933810622,2.568356182,2.214034341,1.840573327,0.98819579,0.898836676,0.083923071,1.820055384,1.784392849,1.296410032,1.14153701,0.728697418,0.430007647,0.32530402,0.083923071,3.693122535,2.974228832,2.620054894,2.281999042,1.918428202,1.111527094,1.02732901,0.270913902,1.759669096,1.720804688,1.191241112,1.027268224,0.590909257,0.279396622,0.161003297,0.270913902,3.794799492,3.153618635,2.846743542,2.56645936,2.244248759,1.597243875,1.531069198,0.943918427,1.584305129,1.534222857,0.856807739,0.656619408,0.134098508,0.227674607,0.41162516,0.943918427,3.710123482,3.00414231,2.658192536,2.331360111,1.975003119,1.199329816,1.118667035,0.399277246,1.721399536,1.680334487,1.122087157,0.95158259,0.498863226,0.178221864,0.04938883,0.399277246,3.84455841,3.240986499,2.955115796,2.695693538,2.39175294,1.802727072,1.743066004,1.207644823,1.530440043,1.476327506,0.744668785,0.52944963,0.025930955,0.408464249,0.626104263,1.207644823,3.69742235,3.129789868,2.768810474,2.445685514,2.071696928,1.330336592,1.256370784,0.626865672,1.691948461,1.647492979,0.938117443,0.765204986,0.360295356,0.035765205,0.126771621,0.626865672,0,0,0,0,0,2,3,2,0,0,0,0.11785113,0.23570226,0.11785113,0,0,0.11785113,0.23570226,0.11785113,0.577350269,0,0,0,0.577350269,0,0,0,0.741581624,1.040440115,0.589255651,0.741581624,1.040440115,0.589255651,5.276020882,3.2876937,3.023395961,1.95700308,1.491624578,0.638071187,0,0,0.753717269,0.469670529,0.335932885,0.217444787,0.149162458,0.127614237,0,0,5.276020882,3.2876937,3.023395961,1.95700308,1.491624578,0.638071187,0,0,0.753717269,0.469670529,0.335932885,0.217444787,0.149162458,0.127614237,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.4425,32.179,22.47266809,30.16393587,44.94533619,6.420762312,22.47266809,3.33E-16,4.76E-17,-24.9467318,2000014.736,285716.3909,10.15606557,42,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,4.701388889,0,4.418981481,0,0,0,2.046296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.350694444,0,1.472222222,0,0,0,1.023148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.350694444,0,1.47337963,0,0,0,1.023148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.16666667,1.595238095,0.2,2.350694444,0.2,1.023148148,5.030625,0.310185185,0.350694444,1.402777778,0.310185185,0.350694444,1.402777778,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.28571,0.28571,0,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.88311,0.9833,6.88311,0,0,3.28768,0.46967,3.28768,0,0,0.12632,0.01805,0.21232,0.03033,0.238095238,7,0,0,0,0,0,0,1,0.918295834,1.437181403,2.534243613,2.796613851,2.606137661,2.534243613,19.28421252,30.18080947,53.21911587,58.72889087,54.72889087,53.21911587,0.209068641,0.327203447,0.576971874,0.636705771,0.593340009,0.576971874,3.474021589,2.95513602,1.85807381,1.595703572,1.786179762,1.85807381,0.209068641,0.327203447,0.576971874,0.636705771,0.593340009,0.576971874,6.73287657,12.9595034,15.50715994,15.77158323,13.48586895,15.50715994,27.64912502,20.43243106,19.72855157,19.09910259,22.28154241,19.72855157,5.142857143,1.851851852,1.185185185,0,0,0,2.23,0.9863,0.25,2.620741394,2.309401077,0,1.889881575,4.762203156,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.167,9,9,10,5,0,0,0,0,0,47,2.079441542,2.302585093,2.302585093,2.397895273,1.791759469,0,0,0,0,0,3.871201011,1,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,0,2,4,1,2,0.666666667,0.569444444,0,0,0,0,0,0,0,0.285714286,0.074074074,0.142361111,0,0,0,0,0,0,0,0.502149471,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,0,117.2718924,3.807354922,3.496507561,4.234106505,5.043425117,5.802118375,6.610696045,7.378383713,8.182838711,8.955835144,9.75643661,73.46034778,2.708050201,0,3.931825633,2.397895273,5.303304908,4.59511985,6.736966958,6.502790046,8.206583614,8.621913502,98.10955045,4.671883355,13.45353991,1.921934272,0,0,0,41,4,3.861,32,1.343117981,2.387748184,3.30076489,4.055729021,4.90477517,5.618364738,0,0,0,0,95.70321648,107.3145279,66.93564181,32.92165967,19.89113576,5.708618149,0,0,0,0,339.7181944,434.5736926,389.9333773,280.5345184,264.8975453,174.6398136,0,0,0,0,9.8140227,17.10377092,23.25362753,27.88951434,33.48908162,37.74678123,0,0,0,0,2.502707816,3.446192002,3.543437782,2.966017675,3.079844572,2.497997467,0,0,0,0,189.8352978,361.5686675,526.5937837,699.5695377,864.2433504,1038.934816,0,0,0,0,2.571827921,3.916571251,5.04690928,5.187680066,6.248886434,5.618364738,0,0,0,0,0.516208864,0.721163011,0.758827304,0.652475557,0.687198687,0.575320549,0,0,0,0,301.3907856,108.0771834,7.681875059,54.21747512,-19.44210732,-2.775911306,247.1733105,127.5192907,10.45778637,0.847535951,0.303922027,0.021602071,0.152464049,-0.054672823,-0.007806093,107.1770531,38.4331392,2.731738229,19.28018203,-6.913773969,-0.987136992,0.082656363,0.173762382,1.532306508,1.699488296,355.6082607,0,1,0,340.3421315,18.44836393,6.981872358,475.9606367,21.8165221,7.807710088,540.9259275,23.25781433,8.147904551,1.170540799,1.079704131,380.6148952,359.2357983,138.1975316,1.059512713,2.754136711,2.599437154,4.130397679,3.964631517,7.232820171,0.824336042,3.904607748,3.492871915,2.203786955,9.905142693,10.1560406,6.933149317,5.684510452,10.86158054,4.289390457,1.376926042,1.954472533,0.667930616,0.004424831,7.94E-04,2.75E-26,1.83E-70,2.36E-136,5.86E-224,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,3.492623452,0.747249648,3.211139567,1.164599427,2.579858486,0.302784826,0.42632748,0.460604942,0.098123644,0.023665484,0.00472018,3.12E-05,5.59E-06,1.94E-28,1.29E-72,1.66E-138,4.13E-226,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,3.492640606,0.979796962,4.165462939,2.373448994,3.191054992,1.007074656,1.52651488,0.918209089,0.328241316,0.168882175,0.049063152,3.25E-04,5.83E-05,2.02E-27,1.35E-71,1.73E-137,4.30E-225,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,3.492844831,2.09170778,9.349565538,9.383957741,6.568507993,5.215577745,9.858407852,3.940398327,1.287702623,1.748216559,0.595125095,0.003942445,7.07E-04,2.45E-26,1.63E-70,2.10E-136,5.22E-224,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,3.492662347,1.158662878,4.942926757,3.389305738,3.692988914,1.607604108,2.587548826,1.328522286,0.495388641,0.342473094,0.106532621,7.05E-04,1.27E-04,4.38E-27,2.92E-71,3.76E-137,9.35E-225,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,3.492985676,2.64477942,12.12771149,13.26636384,8.394678047,7.579111867,14.98955131,5.711667093,1.719697268,2.818123535,0.974062203,0.0064532,0.001157883,4.01E-26,2.67E-70,3.44E-136,8.55E-224,0,0,0,0,0,0,0,0,0,0,0,0,2.593793786,3.311288551,1.290460218,6.065826389,5.455404525,4.588287564,2.969007901,5.035033834,2.670022247,0.851099565,0.818632869,0.262551613,0.001738784,3.12E-04,1.08E-26,7.21E-71,9.28E-137,2.30E-224,0,0,0,0,0,0,0,0,0,0,0,0,3.841498335,1.325580748,1.152801804,0.607843471,0.209747742,0.495868308,0.385181716,0.554347888,6.319880886,11.04883432,23.23903127,0.411765207,1.435397913,3.067508003,0.813448624,0.602042661,0.684253511,0.181451874,0.316269641,0.144907374,0.150377324,4.482999288,4.831761619,10.81701398,0.526380267,0.611554339,3.374731392,1.016890157,0.820927487,0.647424392,0.195085005,0.382710194,0.226582341,0.280394025,5.212549036,7.036933978,15.06668543,0.471136588,0.889686559,3.822319267,1.312905142,1.139180464,0.609192321,0.209247756,0.490927953,0.377848408,0.541290478,6.274404873,10.86828995,22.8594927,0.413788481,1.410066839,3.511753166,1.107553856,0.918432365,0.63414923,0.20000108,0.414399007,0.268834102,0.351296901,5.537739386,8.131976831,17.24191827,0.451223844,1.03453001,3.901547992,1.365263976,1.195442174,0.603744128,0.211267453,0.511497925,0.40859339,0.596220488,6.462254141,11.62281207,24.4527598,0.405616192,1.516311802,3.839437477,1.313315945,1.142992541,0.609846315,0.208603707,0.495332478,0.378207276,0.545018408,6.295745962,10.93195318,22.99111839,0.414769473,1.418558162 +UMLMON0201,L,"cis-1,3-dimethylcyclopentane",C[C@@H]1CC[C@@H](C1)C,17326,Sandia values from independent API report ,Sandia,,C7H14,PubChem,,73.1,0,1.3601,1.84987201,51.5331,30.028688,6,6,27,11,16,0,11,0,0,0,0,0,0,0,0,0,1603.162355,1780.618739,2210.453461,2137.901484,1730.339361,1264.273926,711.426747,292.683049,56.556864,5156.02583,6494.471781,8852.27832,9344.365689,8334.371961,6812.86264,4426.029515,2151.875848,707.6164209,190.4411,196.827788,343.950484,445.901232,444.233412,420.41436,333.334956,186.611428,82.21824,37.79170648,48.49460896,69.87829961,77.54786311,71.85286464,61.47937042,42.42184023,21.70708098,8.011080479,4353.420349,3844.69868,7261.976634,9934.889188,10045.66887,9760.671112,8033.980219,4584.907161,2091.831407,53.05555556,64.13888889,95.5,113.3333333,111.1666667,102.3333333,75.5,40.5,16,59.37638352,65.94884219,46.05111377,33.93494419,27.46570414,21.0712321,14.82139056,10.84011293,4.713072,190.9639196,240.5359919,184.422465,148.3232649,132.2916184,113.5477107,92.20894824,79.69910549,58.96803508,7.053374074,7.289918074,7.165635083,7.077797333,7.051324,7.006906,6.94447825,6.91153437,6.85152,1.399692833,1.796096628,1.455797909,1.230918462,1.140521661,1.024656174,0.883788338,0.803965962,0.66759004,161.2377907,142.3962474,151.2911799,157.6966538,159.4550614,162.6778519,167.3745879,169.8113763,174.3192839,1.965020576,2.375514403,1.989583333,1.798941799,1.764550265,1.705555556,1.572916667,1.5,1.333333333,0.059862261,-0.004402411,-0.017592557,-0.005747528,-0.008361876,-0.001896735,-0.0032438,0.00358102,0.003475556,789.1710216,-9.02E-13,-75.72853238,-43.34462051,-209.2498921,-188.8231169,-3.98571223,22.4196313,43.84283453,1467.497214,3.69E-13,-140.8204397,-80.60117271,-389.1091096,-351.1246489,-7.411602089,41.69026175,81.52762297,0.154593185,1.50E-15,-0.0148347,-0.008490914,-0.040990617,-0.036989152,-7.81E-04,0.004391852,0.00858851,6.560395338,1.65E-14,-0.629532886,-0.360324744,-1.739498764,-1.569690551,-0.03313331,0.186374868,0.364466408,35.6361716,-1.86E-13,-3.419632628,-1.957289728,-9.448984894,-8.526583987,-0.179980665,1.012391239,1.979787311,5.055555556,-0.305555556,0.388888889,0.222222222,-1.055555556,-1.444444444,-0.5,-0.166666667,-4.16E-16,0.002217121,-1.63E-04,-3.67E-04,-9.12E-05,-1.33E-04,-3.16E-05,-6.76E-05,1.33E-04,2.90E-04,29.22855636,-3.34E-14,-1.577677758,-0.688009849,-3.321426859,-3.147051949,-0.083035671,0.830356715,3.653569545,54.35174865,1.37E-14,-2.93375916,-1.279383694,-6.176335074,-5.852077482,-0.154408377,1.544083768,6.793968581,0.005725674,5.57E-17,-3.09E-04,-1.35E-04,-6.51E-04,-6.16E-04,-1.63E-05,1.63E-04,7.16E-04,0.242977605,6.11E-16,-0.013115268,-0.00571944,-0.027611091,-0.026161509,-6.90E-04,0.006902773,0.030372201,1.319858207,-6.88E-15,-0.071242346,-0.031068091,-0.149983887,-0.142109733,-0.003749597,0.037495972,0.164982276,0.187242798,-0.011316872,0.008101852,0.003527337,-0.01675485,-0.024074074,-0.010416667,-0.00617284,-3.47E-17,-0.073542341,-0.16530971,-0.041148233,-0.059865118,-0.014258243,-0.030480602,0.059820987,0.130633222,-1.14E-15,-0.053977273,-0.023538961,-0.113636364,-0.107670455,-0.002840909,0.028409091,0.125,2.52E-16,-0.053977273,-0.023538961,-0.113636364,-0.107670455,-0.002840909,0.028409091,0.125,9.73E-15,-0.053977273,-0.023538961,-0.113636364,-0.107670455,-0.002840909,0.028409091,0.125,2.51E-15,-0.053977273,-0.023538961,-0.113636364,-0.107670455,-0.002840909,0.028409091,0.125,-5.21E-15,-0.053977273,-0.023538961,-0.113636364,-0.107670455,-0.002840909,0.028409091,0.125,-0.06043956,0.043269231,0.018838305,-0.089481947,-0.128571429,-0.055631868,-0.032967033,-1.85E-16,1.196688915,1.082335421,0.952045349,0.989279803,0.986136768,0.96649813,1.007675181,0.890555011,1.181818182,1.121803977,1.012987013,1.076298701,1.030397727,0.872514205,0.8125,0.664772727,1.181818182,1.121803977,1.012987013,1.076298701,1.030397727,0.872514205,0.8125,0.664772727,1.181818182,1.121803977,1.012987013,1.076298701,1.030397727,0.872514205,0.8125,0.664772727,1.181818182,1.121803977,1.012987013,1.076298701,1.030397727,0.872514205,0.8125,0.664772727,1.181818182,1.121803977,1.012987013,1.076298701,1.030397727,0.872514205,0.8125,0.664772727,1.253968254,0.892857143,0.878684807,1.048752834,1.122619048,1.017857143,0.976190476,0.857142857,53.12694476,26.56347238,40.28454909,53.12694476,4.829722251,26.56347238,-1.42E-14,0.300004266,0.027273115,-1.324354442,59.34202777,5.394729797,4.491649565,53.12694476,26.56347238,40.28454909,53.12694476,4.829722251,26.56347238,-1.42E-14,0.300004266,0.027273115,-1.324354442,59.34202777,5.394729797,4.491649565,53.12694476,26.56347238,40.28454909,53.12694476,4.829722251,26.56347238,-1.42E-14,0.300004266,0.027273115,-1.324354442,59.34202777,5.394729797,4.491649565,53.12694476,26.56347238,40.28454909,53.12694476,4.829722251,26.56347238,-1.42E-14,0.300004266,0.027273115,-1.324354442,59.34202777,5.394729797,4.491649565,53.12694476,26.56347238,40.28454909,53.12694476,4.829722251,26.56347238,-1.42E-14,0.300004266,0.027273115,-1.324354442,59.34202777,5.394729797,4.491649565,53.12694476,26.56347238,40.28454909,53.12694476,4.829722251,26.56347238,-1.42E-14,0.300004266,0.027273115,-1.324354442,59.34202777,5.394729797,4.491649565,68.67135802,33.9248167,53.34381046,68.56116519,6.232833199,33.9248167,-0.242424242,0.43615789,0.039650717,-0.912726066,107.0420496,9.731095414,5.140543918,0,11.85,12.15012665,-0.209912552,0.090239597,5.364330745,9.230201846,11,27,24,21,5,3,0,0,0,6,17.491312,3.802485203,3.359481799,2.948116927,2.619181914,2.4542653,2.22856305,1.510271326,1.124648476,2.005623023,1.781700342,1.530524419,1.145106169,1.082250302,0.967181199,0.674632734,0.428435846,3.814476835,3.387515119,2.986622149,2.645815032,2.48962348,2.29737968,1.603864584,1.234484092,1.971430403,1.720231521,1.446688531,1.032322572,1.007167592,0.885584829,0.533873107,0.276266613,3.869438925,3.512342567,3.15964723,2.771820215,2.656263563,2.575844574,1.991640539,1.678641448,1.880928106,1.537460974,1.194546161,0.798620231,0.69512597,0.623062467,0.063636086,0.24066125,3.823418776,3.408268199,3.015250872,2.665925019,2.515983365,2.347134478,1.671735881,1.313478931,1.950662254,1.680816329,1.392672542,0.960278991,0.958385759,0.833400535,0.439562511,0.173766424,3.897822111,3.573670811,3.244794783,2.838078588,2.756933936,2.683537305,2.164006213,1.871054728,1.855125486,1.48053034,1.115437187,0.738564276,0.610912335,0.510585907,0.102428688,0.42757049,3.864980734,3.370419052,3.044575739,2.774320393,2.593814412,2.393306648,1.705875336,1.361736268,1.946995119,1.664745785,1.337567585,0.87104001,0.842749222,0.757749832,0.364611754,0.092536777,0,0,0,5,1,2,2,1,0,0,0,0,0.102062073,0.058925565,0,0,0,0.032075015,0.018518519,0.402368927,0,0.11785113,0,0.30034919,0,0.068041382,0,1.020220057,1.373773448,1.540440115,0.655417365,0.781103096,0.755392177,8.104448007,5.342535255,4.164049115,3.198584704,2.394246448,1.583776956,0.686886724,0.402368927,0.736768001,0.485685023,0.32031147,0.21323898,0.149640403,0.09898606,0.068688672,0.050296116,7.378315178,4.392064078,3.100406307,2.090295922,1.381251141,0.709170362,0.298328589,0.150856748,0.670755925,0.399278553,0.238492793,0.139353061,0.086328196,0.044323148,0.029832859,0.018857093,15.33462243,26.10269483,24.80392157,25.08,17.38843593,204.4541246,0.567948979,0.966766475,0.918663762,0.928888889,0.644016145,7.572374983,3.5902,49.765,48.58066272,70.80262708,97.16132543,8.832847767,48.58066272,0.242785013,0.022071365,-1.557136843,45.82054438,4.165504034,4.207205814,116,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,5,0,0,5,0,0,0,0,0,0,0,0,2,0,2,0,0,5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.18108371,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.969815405,0,1.42386515,0,0,1.969815405,0,0,0,0,0,0,0,0,4.526064815,0,2.569518141,0,0,10.71409297,0.723333333,0,0,0,1.466990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.466990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374027778,0,0.237999221,0,0,0.374027778,0,0,0,0,0,0,0,0,2.235555556,0,1.273869992,0,0,2.071592971,0.723333333,0,0,0,1.466990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.208657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.41710282,0,0.359305556,0,0,0.41710282,0,0,0,0,0,0,0,0,2.290509259,0,1.295648148,0,0,2.208657407,0.723333333,0,0,0,1.466990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20,1.818181818,0.41710282,2.290509259,0.106319444,0.723333333,6.998096357,0.61,0.290509259,2.480315571,0.61,0.290509259,2.480315571,5.5,0.5,0,0,0.46296,0.7,0.43333,0.43333,0.7,0.02963,0.02963,0,0,0.71429,0,0,0.18182,0.18182,0,11.5,1.04545,5.5,0.5,6,0.54545,0.5,0.04545,0,0,8.20185,0.74562,13.16786,4.96601,0.45146,3.38621,0.30784,5.34252,1.95631,0.17785,0.07148,0.0065,0.15748,0.01432,0.222222222,11,0,0,0,0,0,0,0.454545455,0.975119065,2.337367919,3.203987392,3.930270372,4.106377317,4.106377317,26.32821475,63.1089338,86.50765958,106.1173001,110.8721876,110.8721876,0.20507721,0.491571655,0.673830325,0.826574839,0.863611876,0.863611876,3.779768437,2.417519583,1.55090011,0.82461713,0.648510185,0.648510185,0.198724436,0.476344005,0.652956761,0.800969636,0.836859359,0.836859359,6.784181073,17.29448048,21.77280699,24.4405715,24.61805649,24.61805649,41.99082118,30.36338179,22.97198418,17.86232362,17.33400279,17.33400279,9.090909091,4.792899408,2.844444444,5,6,5,2.67,1.4209,0.25,3.922536693,1.807204007,0,8.364004083,6.883202347,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.151,0.144,0.514,0.649,5.188,13,15,16,16,10,8,4,2,0,106,2.708050201,3.113515309,3.548179572,3.95364468,4.352694369,3.864669309,3.876395828,3.270044111,2.784239339,0,5.839187112,3.231132075,0.428571429,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.272727273,5,0.454545455,0,4,7,0.75,1.5,1.111111111,0.5625,0.191111111,0.152777778,0.060408163,0.027777778,0,0,0,0.136363636,0.085470085,0.046875,0.021234568,0.025462963,0.020136054,0.027777778,0,0,0,0.363320085,30.88786319,46.17985326,61.77572637,5.615975125,30.88786319,0.109408122,0.009946193,-2.433937161,58.8724693,5.352042664,4.482910924,0,167.6464548,4.459431619,3.891820298,4.65396035,5.442417711,6.228511004,7.025538315,7.818832444,8.617762246,9.413526084,10.2126987,85.30506715,3.135494216,0,4.317488114,0,5.720311777,0,7.217443432,0,8.758255243,9.004053938,148.1252005,5.486118537,21.52655437,1.956959488,0,0,0,164,12,4.58,48,1.237974213,2.164430983,2.952596944,3.708573141,4.485638912,5.513154883,6.610249222,7.775499893,8.599688969,0,91.72403858,109.1181174,108.5792508,117.3174906,110.2312149,93.21806878,77.6584239,36.67440266,8.737834373,0,321.3314287,424.4911208,462.5381997,532.1631851,561.1904803,546.5102187,554.3879049,458.7164725,267.3105341,0,9.056988609,15.56025343,20.9562806,26.23402401,31.57611051,38.39376015,45.79140635,53.27499758,57.77670075,0,2.351319141,3.300490727,3.786545727,4.475374504,4.93399741,5.121403371,5.514333388,5.192529726,3.823532693,0,174.2745411,323.9092541,461.3760826,585.4882897,718.824467,914.6972489,1114.365806,1355.339557,1590.234292,0,3.018713816,4.435867548,5.445778674,6.758758305,8.020200055,8.963154401,10.18570305,10.36984981,8.599688969,0,0.484370495,0.688154966,0.797522188,0.947037672,1.051946861,1.104620467,1.200652429,1.153193737,0.88060815,0,310.1511167,183.0872399,11.76730366,81.76649379,-48.26808886,-4.914090142,228.3846229,231.3553287,16.68139381,0.791368156,0.467157471,0.030024942,0.208631844,-0.123158765,-0.01253858,121.5536846,71.75511357,4.611813534,32.04572887,-18.91711405,-1.925918467,0.105091993,0.110548177,1.308890629,1.06036028,391.9176105,0,1,0,788.965793,28.0885349,9.240299714,945.0199318,30.74117649,9.813267923,1394.226474,37.33934217,11.17149018,2.155863452,2.056590322,982.4074397,872.45137,201.7165896,1.126031173,4.870236215,4.325134446,4.861472547,5.282500282,9.005334831,0.704748575,4.870821309,5.849987626,4.94153053,19.20327423,6.745838022,8.655761372,7.042948716,12.63952108,8.161724271,6.165315789,6.482276893,4.050927358,2.344931235,3.311506518,2.735291752,0.12706343,1.99694085,3.97E-11,1.58E-43,1.25E-97,1.96E-173,6.07E-271,0,0,0,0,0,0,0,0,0.408883799,5.667968415,0.378326766,7.180565277,1.557166835,1.411521777,1.247864291,1.789437024,1.922042085,0.631790842,1.414387662,0.877266331,1.007443579,0.207141069,0.171716765,0.004542459,0.014064618,2.80E-13,1.11E-45,8.81E-100,1.38E-175,4.27E-273,0,0,0,0,0,0,0,0,1.319660212,5.680131793,1.244616646,8.451948274,2.005019913,2.383335537,2.194321694,3.371839328,2.882192377,1.399658988,2.207012114,1.241212546,1.153491708,0.678300196,0.592433308,0.018696975,0.14656416,2.92E-12,1.16E-44,9.18E-99,1.44E-174,4.45E-272,0,0,0,0,0,0,0,0,4.597664636,5.830003686,4.639123973,18.04884962,6.211945865,8.032953331,6.604532144,11.75158889,7.668828823,5.698620303,6.086469442,3.756215836,2.218136385,3.063969527,2.542067865,0.115722777,1.779238345,3.54E-11,1.41E-43,1.11E-97,1.75E-173,5.41E-271,0,0,0,0,0,0,0,0,1.944879714,5.695901804,1.858644039,9.675883395,2.49395434,3.200961346,2.914239814,4.645861116,3.634390647,2.034155473,2.82293119,1.575335804,1.291446702,1.049988168,0.91169533,0.03163657,0.318356941,6.34E-12,2.52E-44,2.00E-98,3.13E-174,9.67E-272,0,0,0,0,0,0,0,0,5.882197583,5.934017289,6.087377996,23.95265414,8.968130812,11.16534462,8.761181312,16.1811264,10.11262035,8.038542029,8.044914899,5.256133413,2.865392891,4.293300112,3.491910207,0.173412805,2.912350554,5.80E-11,2.31E-43,1.83E-97,2.86E-173,8.85E-271,0,0,0,0,0,0,0,0,2.721931046,4.561512453,2.60565258,10.30915203,3.047993035,4.412754646,3.919261503,6.015583102,4.749810722,2.958974609,3.660036566,2.176350343,1.71744545,1.539544217,1.427278786,0.052788682,0.604074607,1.20E-11,4.78E-44,3.79E-98,5.94E-174,1.84E-271,0,0,0,0,0,0,0,0,6.61325258,1.800448315,0.675459302,0.727597758,0.198087422,0.513322156,0.48221001,0.407159524,9.089160197,17.589932,34.72166417,0.591396637,1.40269169,5.815893586,1.053856525,0.310394587,0.809996711,0.146773717,0.398315704,0.168818118,0.087003774,7.180144697,8.261450649,17.34404021,0.714995066,0.654137595,6.101518634,1.323068552,0.441659215,0.775658214,0.168195666,0.437759518,0.264336823,0.175226897,7.866246402,11.35186478,22.78350564,0.663487321,0.877323239,6.590056069,1.778944791,0.664897547,0.72948087,0.19691884,0.509759296,0.471119896,0.394622017,9.033898406,17.28787405,34.1165964,0.594221305,1.375501209,6.241082996,1.4538898,0.505592786,0.76105519,0.177291406,0.457740299,0.318016305,0.229150333,8.200565582,12.96436964,25.75260676,0.641582785,1.004906937,6.687232012,1.868943334,0.709121138,0.721750461,0.201714358,0.524773207,0.518308099,0.448416984,9.265296484,18.56542249,36.69335586,0.582625692,1.491498289,6.607372266,1.78309995,0.665057721,0.729650535,0.1969073,0.512455803,0.473470037,0.394677075,9.055529936,17.36175348,34.25273088,0.594475803,1.380602914 +UMLMON0202,L,2-phenylpentane,CCCC(C)C1=CC=CC=C1,17627,,UML,[1],C11H16,PubChem,,92.1,0,1.5751,2.48094001,33.3648,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1106.796102,879.819364,649.875243,461.161346,157.477824,18.289152,0,3399.790734,4147.41404,5063.01831,4820.751333,3821.262689,2804.865983,1749.84433,559.5073998,0,146.842108,144.889944,254.381208,281.6068,291.028332,208.387208,166.033152,120.932352,0,25.74688067,32.32302034,42.78148384,43.2160183,36.40950577,26.7230696,18.69788658,8.003032287,0,3476.407621,2904.481805,5704.188715,6401.130394,7083.449828,5017.946613,4056.482397,3328.517736,0,37.27777778,44.25,63.16666667,69.83333333,60.66666667,45,36,18,0,48.76541633,51.7541979,30.74433617,21.9954841,15.47322007,15.37204487,6.561576,1.016064,0,161.8947969,207.370702,140.6393975,120.5187833,90.98244498,93.49553276,72.9101804,31.08374443,0,6.992481333,7.2444972,7.066144667,7.04017,6.929246,6.946240267,6.918048,6.718464,0,1.226041937,1.616151017,1.188374551,1.080400457,0.866892995,0.890768987,0.779078607,0.444612905,0,165.54322,145.2240902,158.4496865,160.0282598,168.6535673,167.2648871,169.0200999,184.917652,0,1.775132275,2.2125,1.75462963,1.745833333,1.444444444,1.5,1.5,1,0,0.038344619,4.76E-04,-0.010316263,-0.02191026,0.008281992,9.79E-04,-0.008030698,0.011348108,0,564.9747087,-53.80711511,-40.35533633,-269.0355756,40.35533633,-40.35533633,-161.4213453,242.132018,0,1050.594596,-100.0566282,-75.04247115,-500.283141,75.04247115,-75.04247115,-300.1698846,450.2548269,0,0.110674667,-0.010540444,-0.007905333,-0.052702222,0.007905333,-0.007905333,-0.031621333,0.047432,0,4.696646663,-0.447299682,-0.335474762,-2.236498411,0.335474762,-0.335474762,-1.341899046,2.01284857,0,25.51225921,-2.429738973,-1.822304229,-12.14869486,1.822304229,-1.822304229,-7.289216918,10.93382538,0,3.415343915,-0.960380448,0.793272865,-2.174729151,0.137566138,0.676492819,-1.490551776,1.310657596,0,0.001825934,2.38E-05,-2.87E-04,-5.48E-04,1.97E-04,3.26E-05,-3.35E-04,6.30E-04,0,26.90355756,-2.690355756,-1.120981565,-6.725889389,0.960841341,-1.345177878,-6.725889389,13.45177878,0,50.0283141,-5.00283141,-2.084513087,-12.50707852,1.786725503,-2.501415705,-12.50707852,25.01415705,0,0.005270222,-5.27E-04,-2.20E-04,-0.001317556,1.88E-04,-2.64E-04,-0.001317556,0.002635111,0,0.223649841,-0.022364984,-0.009318743,-0.05591246,0.007987494,-0.011182492,-0.05591246,0.111824921,0,1.214869486,-0.121486949,-0.050619562,-0.303717372,0.043388196,-0.060743474,-0.303717372,0.607434743,0,0.162635425,-0.048019022,0.022035357,-0.054368229,0.003275384,0.022549761,-0.062106324,0.072814311,0,0.013041739,-0.156940402,-0.299986981,0.107994187,0.017863802,-0.183255447,0.345275542,0,-0.1,-0.041666667,-0.25,0.035714286,-0.05,-0.25,0.5,0,-0.1,-0.041666667,-0.25,0.035714286,-0.05,-0.25,0.5,0,-0.1,-0.041666667,-0.25,0.035714286,-0.05,-0.25,0.5,0,-0.1,-0.041666667,-0.25,0.035714286,-0.05,-0.25,0.5,0,-0.1,-0.041666667,-0.25,0.035714286,-0.05,-0.25,0.5,0,-0.295255616,0.135489285,-0.33429512,0.020139427,0.138652208,-0.381874516,0.44771495,0,1.314669884,1.34337279,1.43410458,0.783048879,0.819983083,0.850037354,0.005142044,0,1.5,1.130952381,1.285714286,0.816326531,0.928571429,1.071428571,0,0,1.5,1.130952381,1.285714286,0.816326531,0.928571429,1.071428571,0,0,1.5,1.130952381,1.285714286,0.816326531,0.928571429,1.071428571,0,0,1.5,1.130952381,1.285714286,0.816326531,0.928571429,1.071428571,0,0,1.5,1.130952381,1.285714286,0.816326531,0.928571429,1.071428571,0,0,1.732378002,0.783953008,1.494481022,0.766847405,0.666924864,1.46398141,0,0,27.46996575,13.73498287,21.43647608,27.46996575,3.924280821,13.73498602,-1.78E-15,0.149979907,0.021425701,-1.328077764,22.32945086,3.189921552,2.174134532,27.46996575,13.73498287,21.43647608,27.46996575,3.924280821,13.73498602,-1.78E-15,0.149979907,0.021425701,-1.328077764,22.32945086,3.189921552,2.174134532,27.46996575,13.73498287,21.43647608,27.46996575,3.924280821,13.73498602,-1.78E-15,0.149979907,0.021425701,-1.328077764,22.32945086,3.189921552,2.174134532,27.46996575,13.73498287,21.43647608,27.46996575,3.924280821,13.73498602,-1.78E-15,0.149979907,0.021425701,-1.328077764,22.32945086,3.189921552,2.174134532,27.46996575,13.73498287,21.43647608,27.46996575,3.924280821,13.73498602,-1.78E-15,0.149979907,0.021425701,-1.328077764,22.32945086,3.189921552,2.174134532,27.46996575,13.73498287,21.43647608,27.46996575,3.924280821,13.73498602,-1.78E-15,0.149979907,0.021425701,-1.328077764,22.32945086,3.189921552,2.174134532,31.14295081,15.51274524,24.65470725,31.05905058,4.437007226,15.51274575,-0.117460317,0.225980976,0.032282997,-1.041113122,25.33635646,3.619479494,2.262568265,0,11.89,12.11009426,-0.173262199,0.049695005,5.170682588,7.535537531,6,20,19,19,5,1,1,0,0,1,15.304898,3.551708109,3.121012564,2.449816704,2.333552793,1.785646645,1.263120338,0.354660938,0.083923071,1.89134993,1.663300473,1.249629723,1.237218231,0.779837095,0.534644216,0.083923071,0.083923071,3.572450857,3.158467681,2.507764709,2.405454588,1.862613906,1.372451396,0.480308912,0.270913902,1.837564638,1.58646301,1.134540686,1.133192961,0.654022786,0.388244556,0.270913902,0.270913902,3.667432043,3.322322425,2.756181235,2.704236987,2.185361656,1.809140514,0.959218208,0.943918427,1.687130822,1.354751131,0.804115242,0.76031856,0.246263754,0.112197004,0.943918427,0.943918427,3.58793406,3.186036871,2.550194232,2.457539916,1.918586425,1.450684787,0.569017053,0.399277246,1.803979507,1.536999445,1.064920862,1.058262671,0.570740757,0.28942663,0.399277246,0.399277246,3.71591312,3.401211912,2.87199788,2.838982085,2.331794347,1.996434502,1.207644823,1.207644823,1.642782219,1.281002108,0.694469421,0.631337262,0.106310057,0.294665737,1.150770421,1.207644823,3.602435768,3.200142435,2.623310631,2.582900166,1.992454155,1.507816526,0.655608703,0.552631579,1.791535348,1.487296224,0.978868717,0.925005429,0.473312592,0.192860599,0.552631579,0.552631579,0,0,0,1,1,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.288675135,0,0,0,0.288675135,0.204124145,0.204124145,0.204124145,0.144337567,0.144337567,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,5.491563832,2.904030206,2.070149549,0.841260992,0.433012702,0.288675135,0,0,0.784509119,0.484005034,0.345024925,0.210315248,0.144337567,0.144337567,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,3,0,1,0,0,0,0,0,0,0,0,3,0,2,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.696157407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.759305556,0.870833333,0,0.288541667,0,0,0,0,0,0,0,0,6.463055556,0,2.507453704,0,2.263888889,0,0,0,0,1.432268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.432268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.225625,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.134583333,0,1.238425926,0,2.263888889,0,0,0,0,1.432268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.290277778,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.193888889,0,1.269027778,0,2.263888889,0,0,0,0,1.432268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.80952381,0.290277778,2.263888889,0.071597222,1.238425926,4.432571713,0.261574074,0.263888889,1.453888889,0.261574074,0.263888889,1.453888889,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.97598,0.85371,7.02591,1.04993,0.14999,2.67869,0.38267,3.27005,0.59135,0.08448,0.14395,0.02056,0.14395,0.02056,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.006330931,3.141619208,3.141619208,3.141619208,2.723303263,19.28421252,42.13294954,65.97400337,65.97400337,65.97400337,57.18936853,0.209068641,0.456781862,0.715253226,0.715253226,0.715253226,0.620015131,3.474021589,2.385986492,1.250698215,1.250698215,1.250698215,1.66901416,0.209068641,0.456781862,0.715253226,0.715253226,0.715253226,0.620015131,6.73287657,17.06886394,18.21303588,18.21303588,18.21303588,13.19324454,27.64912502,15.92879954,15.95461758,15.95461758,15.95461758,13.44472191,7,4.166666667,6,7,2,6,2.23,1.0519,0.814325285,3.639717277,1.889881575,0,2.381101578,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,3.184,6,4,3,2,0,0,0,0,0,28,2.079441542,2.302585093,2.079441542,1.945910149,1.609437912,0,0,0,0,0,3.713572067,1.428571429,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,0,126.9918924,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,98.10955045,4.671883355,12.67036528,1.810052182,0,0,0,52,4,3.405,24,1.211091709,2.095745587,2.957020586,3.653064715,4.661463461,5.776236379,6.519162723,0,0,0,73.44974185,74.6345705,74.56848369,69.59031166,85.17253059,40.16338728,6.623886553,0,0,0,276.3102126,324.3156655,382.1153501,373.4630752,484.0312066,438.2086384,202.639988,0,0,0,8.808215105,14.87760401,20.8703233,25.42137475,32.52760942,40.04169657,43.79876006,0,0,0,2.093846858,2.672333097,3.347373791,3.429176489,4.47575564,4.636580341,2.898503875,0,0,0,173.7339712,327.0996206,469.5264736,608.0829277,768.4878794,969.8149826,1205.508264,0,0,0,2.772839498,3.863499776,5.307312255,5.53301675,7.366396001,8.868318899,6.519162723,0,0,0,0.43411855,0.563384326,0.712891564,0.737739949,0.963073866,1.01695716,0.667562263,0,0,0,334.2420273,135.4498428,9.145751756,87.80463487,-35.58237152,-5.468064057,246.4373924,171.0322144,14.61381581,0.791955149,0.320935704,0.021670001,0.208044851,-0.084309094,-0.012956065,141.065732,57.16615406,3.859934002,37.05765307,-15.01742113,-2.307778184,0.141013664,0.210477418,1.918499309,1.939434675,422.0466622,0,1,0,395.1754262,19.87901975,7.338319957,535.3768935,23.13821284,8.119947248,605.2819414,24.60247836,8.459004169,1.891755231,1.891755231,536.4238962,474.6192846,77.70814889,1.130219343,6.90305848,6.107715746,4.162148766,4.514655392,7.783860637,0.724131736,5.716167611,5.019327418,2.168056311,15.98092153,7.907465987,5.913547104,4.241355204,8.812742756,6.590269363,2.553182212,3.730297468,2.147093815,5.641192771,0.002957629,0.018711892,1.07E-22,1.17E-64,2.48E-128,1.02E-213,8.004E-321,0,0,0,0,0,0,0,0,0,0,0.479723312,5.011393127,0.177233624,5.879465459,1.141036867,0.330308697,0.652621709,1.212689775,2.210337158,0.135618221,0.196586453,0.211924301,0.160304596,2.10E-05,1.32E-04,7.51E-25,8.25E-67,1.75E-130,7.15E-216,5.9E-323,0,0,0,0,0,0,0,0,0,0,1.54859323,5.011923442,0.575239459,6.738955211,1.79071253,1.175348736,1.271638883,1.996568696,2.838606432,0.334063303,0.71129122,0.600925557,0.723807538,2.18E-04,0.001373347,7.82E-24,8.60E-66,1.82E-129,7.45E-215,5.9E-322,0,0,0,0,0,0,0,0,0,0,5.395596243,5.018456348,2.043220837,14.93713674,7.234450717,5.467519179,3.981495951,8.075973185,6.228113043,2.300808387,3.440877627,2.026498657,5.109223004,0.002635324,0.016671959,9.50E-23,1.04E-64,2.21E-128,9.05E-214,7.134E-321,0,0,0,0,0,0,0,0,0,0,2.28233892,5.012610906,0.850941289,7.685995167,2.45389104,1.8429204,1.730281158,2.762549956,3.348805692,0.557890522,1.125964017,0.869746652,1.275503775,4.72E-04,0.002983093,1.70E-23,1.87E-65,3.96E-129,1.62E-214,1.275E-321,0,0,0,0,0,0,0,0,0,0,6.903099095,5.022990119,2.633625305,20.32857485,10.6931631,7.68332863,5.249095215,11.84893646,8.037923867,3.606115788,4.884875472,2.596016709,7.833873114,0.004312807,0.027289536,1.55E-22,1.71E-64,3.62E-128,1.48E-213,1.1675E-320,0,0,0,0,0,0,0,0,0,0,3.251972469,4.589430371,1.119923768,9.32588441,3.48262905,2.835112484,2.167422949,3.666741853,4.031015951,0.930033808,1.780771392,1.321410858,2.20180032,9.04E-04,0.005714643,3.26E-23,3.58E-65,7.58E-129,3.10E-214,2.446E-321,0,0,0,0,0,0,0,0,0,0,5.992576337,1.338422482,0.375715662,0.777578611,0.17366966,0.598863504,0.52613921,0.476170792,7.70671448,10.77496996,21.49514906,0.666367916,1.601173506,4.763280986,0.714305876,0.080998372,0.856923261,0.128504979,0.37893994,0.150686672,0.022130781,5.558585234,3.846115217,9.68029252,0.785384892,0.551757393,5.251472042,0.96222989,0.198050513,0.81903849,0.150072839,0.460288881,0.272818489,0.132311045,6.411752445,6.283750222,13.69627634,0.728557735,0.865418415,5.962138238,1.322975323,0.368419292,0.779004723,0.172858123,0.592813975,0.514129922,0.45785597,7.653532853,10.57173814,21.13127459,0.668507084,1.564799867,5.469099185,1.072719532,0.25022547,0.805221379,0.157937655,0.499095742,0.338738127,0.211206453,6.792044187,7.503739181,15.76380854,0.707832068,1.049040323,6.087871091,1.38678222,0.398558647,0.773238562,0.176139322,0.618001547,0.564624011,0.535831976,7.873211958,11.4216391,22.65970291,0.659857843,1.718457533,5.970746263,1.324628279,0.368440985,0.779082722,0.172841879,0.594473459,0.515227139,0.45790989,7.663815526,10.59693433,21.17475673,0.668624083,1.567610488 +UMLMON0203,L,2-methyl-2-hexene,CCCC=C(C)C,17656,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C7H14,PubChem,,78.9,0,0.525,0.275625,35.3367,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1912.866323,1536.635695,716.597618,178.815168,18.289152,0,0,3885.475125,5223.921076,7983.759134,8343.0636,5761.955305,2402.602963,559.5073998,0,0,167.819552,174.20624,341.907212,472.656508,511.583816,307.120896,120.932352,0,0,29.42500648,40.12790896,64.52079401,74.29419331,58.99573411,28.03475758,8.003032287,0,0,3973.037281,3464.315612,7410.01833,10647.22523,12550.21632,7939.753089,3328.517736,0,0,37.83333333,45.77777778,75.47222222,104.3333333,101,57,18,0,0,48.76541633,56.15943233,39.85138173,22.93486112,9.683751595,3.9736704,1.016064,0,0,161.8947969,217.6633782,166.3283153,124.5233373,77.86426087,53.39117695,31.08374443,0,0,6.992481333,7.258593333,7.123066917,7.054574746,6.913294811,6.8249088,6.718464,0,0,1.226041937,1.671996207,1.344183209,1.108868557,0.79723965,0.622994613,0.444612905,0,0,165.54322,144.3464838,154.3753819,158.9138094,169.5975178,176.4389575,184.917652,0,0,1.576388889,1.907407407,1.572337963,1.55721393,1.364864865,1.266666667,1,0,0,0.031613547,-0.004458916,0.001436243,-0.019530593,-0.006205393,0.003291683,0.009660203,0,0,645.6853813,5.76E-13,40.35533633,-511.1675936,-215.2284604,121.066009,242.132018,0,0,1200.679538,-5.68E-14,75.04247115,-950.5379679,-400.2265128,225.1274134,450.2548269,0,0,0.126485333,2.94E-15,0.007905333,-0.100134222,-0.042161778,0.023716,0.047432,0,0,5.367596186,1.18E-14,0.335474762,-4.24934698,-1.789198729,1.006424285,2.01284857,0,0,29.15686767,-1.15E-13,1.822304229,-23.08252024,-9.718955891,5.466912688,10.93382538,0,0,2.791666667,-1.347222222,0.555555556,-0.842013889,0.003472222,-0.546875,0.78125,0,0,0.001317231,-1.86E-04,2.99E-05,-2.92E-04,-8.39E-05,7.31E-05,5.37E-04,0,0,26.90355756,2.40E-14,0.840736174,-7.629367068,-2.908492709,2.690355756,13.45177878,0,0,50.0283141,-2.37E-15,1.563384816,-14.18713385,-5.408466389,5.00283141,25.01415705,0,0,0.005270222,1.22E-16,1.65E-04,-0.001494541,-5.70E-04,5.27E-04,0.002635111,0,0,0.223649841,4.93E-16,0.006989058,-0.063423089,-0.024178361,0.022364984,0.111824921,0,0,1.214869486,-4.81E-15,0.037964671,-0.344515227,-0.131337242,0.121486949,0.607434743,0,0,0.116319444,-0.056134259,0.011574074,-0.012567371,4.69E-05,-0.012152778,0.043402778,0,0,-0.141044462,0.022715624,-0.221298593,-0.063661312,0.055532024,0.407428825,0,0,8.91E-16,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,-4.73E-17,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,2.32E-14,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,2.20E-15,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,-3.96E-15,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,-0.482587065,0.099502488,-0.10804188,4.03E-04,-0.104477612,0.373134328,0,0,1.579552337,1.033206363,1.301947932,0.935283409,0.71234121,1.65E-08,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,2.021558872,0.691334992,1.127199822,0.9370714,1.098507463,0,0,0,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,1.78E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,1.78E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,1.78E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,1.78E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,1.78E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,1.78E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,37.20496431,18.47227382,26.04610392,37.00965181,4.626206476,18.47227385,-0.260416667,0.005144078,6.43E-04,-4.215927241,28.64086191,3.580107739,2.683867549,0,11.89,12.11011416,-0.161880726,0.059276977,5.973360367,8.397172559,8,24,24,24,8,0,0,0,0,0,17.491312,3.709959766,2.974675559,2.789753075,2.259537733,2.158317772,1.617870431,0.918016251,0.809020034,1.845648904,1.813613019,1.410733491,1.157249124,1.096183233,0.563489532,0.402453794,0.276394959,3.731262013,3.013413722,2.836186318,2.330024954,2.225457131,1.699767002,1.045547554,0.94155887,1.787821245,1.752615835,1.310905386,1.043257925,0.981528758,0.42111061,0.249176885,0.109489703,3.825638152,3.185923174,3.040102369,2.62464957,2.50910004,2.040789505,1.545899363,1.459674177,1.621444011,1.575108587,0.997363948,0.673418052,0.610271012,0.054593717,0.26888121,0.473701747,3.746988301,3.042112654,2.870443191,2.38119944,2.2743801,1.759183913,1.136224802,1.035689916,1.751312057,1.713926185,1.245574763,0.967752621,0.905628807,0.325740607,0.146064012,0.003994699,3.872123288,3.270309035,3.138028166,2.758192334,2.639170421,2.194280813,1.75665822,1.676939727,1.570816098,1.5204722,0.893609066,0.546446869,0.483241901,0.222854153,0.454365585,0.692822975,3.713827145,3.143134573,3.000480537,2.547995964,2.352058575,1.828505304,1.260306994,1.164918264,1.742149051,1.699539474,1.059598102,0.791295033,0.753238401,0.201557105,0.011910874,0.171137606,0,0,0,0,0,3,2,3,0,0,0,0.096225045,0.288675135,0.288675135,0,0,0.096225045,0.288675135,0.288675135,0.760079655,0,0.166666667,0,0.760079655,0,0.166666667,0,1.410236714,1.743689791,1.619316155,1.410236714,1.743689791,1.619316155,6.14626437,3.698377303,3.531144005,2.519712423,1.830194132,0.849515796,0.096225045,0,0.768283046,0.462297163,0.321013091,0.209976035,0.140784164,0.106189475,0.096225045,0,6.14626437,3.698377303,3.531144005,2.519712423,1.830194132,0.849515796,0.096225045,0,0.768283046,0.462297163,0.321013091,0.209976035,0.140784164,0.106189475,0.096225045,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.6885,36.726,27.25514403,36.68482962,54.51028806,6.813786007,27.25514403,3.33E-16,4.16E-17,-28.51055062,3000014.366,375001.7957,11.93130211,51,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,7.099537037,0,2.918981481,0,0,0,2.981481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.361111111,0,1.459490741,0,0,0,0.990740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.369212963,0,1.459490741,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13,1.625,0.2,2.369212963,0.2,0.990740741,5.741078704,0.342592593,0.369212963,2.199074074,0.342592593,0.369212963,2.199074074,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.375,0.375,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.75603,1.0945,8.75603,0,0,3.69836,0.46229,3.69836,0,0,0.21564,0.02696,0.30164,0.03771,0.208333333,8,0,0,0,0,0,0,1,0.918295834,1.438721876,2.5,2.729573959,2.677694271,2.344360938,22.03910002,34.52932501,60,65.509775,64.26466251,56.26466251,0.200284263,0.313791416,0.54526073,0.595331796,0.584016613,0.511315182,3.666666667,3.146240625,2.084962501,1.855388542,1.90726823,2.240601563,0.200284263,0.313791416,0.54526073,0.595331796,0.584016613,0.511315182,6.73287657,12.97798907,15.30933029,16.80245923,12.3946273,16.41423191,31.59900002,23.32456251,22.69022552,20.3349625,26.92932344,20.36340886,6.125,2.082644628,1.25,0,0,0,2.34,1.1272,0.825481812,2.620741394,4.734706513,0,0.5,4.762203156,0,1.889881575,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.124,0.16,0.203,3.438,11,12,13,8,1,0,0,0,0,61,2.197224577,2.48490665,2.564949357,2.63905733,2.197224577,0.693147181,0,0,0,0,4.127134385,1,0.25,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.375,0,3,4,0.333333333,2.5,1.111111111,0.916666667,0,0,0,0,0,0,0,0.3125,0.101010101,0.130952381,0,0,0,0,0,0,0,0.544462482,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,0,134.567877,4,3.663561646,4.442651256,5.283203729,6.084499413,6.922643891,7.732369222,8.566554621,9.380842352,10.21181748,78.28814361,2.833213344,0,4.110873864,2.397895273,5.549076085,4.727387819,7.053585727,6.741700695,8.593598523,8.969669104,112.1252005,4.671883355,15.32137541,1.915171927,0,0,0,59,7,4.369,38,1.331436567,2.358322804,3.280080998,4.00340916,4.799984976,5.619328694,0,0,0,0,94.01800751,110.9041004,85.50094101,44.06872821,20.61558757,5.70959759,0,0,0,0,334.770918,438.8259865,438.4260969,333.1830299,267.90744,174.669777,0,0,0,0,9.725938808,16.89693793,23.21009852,27.75087342,32.81495763,37.75325754,0,0,0,0,2.47012952,3.448890272,3.822102873,3.341918314,3.083368986,2.498426054,0,0,0,0,188.3541604,357.0920356,516.1407297,673.2619007,842.4837452,1039.113068,0,0,0,0,2.586701911,3.87763844,5.246144477,5.609323417,6.219014962,5.619328694,0,0,0,0,0.509638069,0.720684386,0.812995007,0.728255121,0.686776988,0.575419258,0,0,0,0,332.5386296,134.8295633,8.315369446,36.35464109,-14.74018338,-2.096833848,296.1839885,149.5697466,10.41220329,0.901449433,0.365497487,0.022541396,0.098550567,-0.039957854,-0.005684121,122.6712627,49.73771857,3.067483832,13.41098245,-5.437554456,-0.773507896,0.07369617,0.153662443,0.859173496,1.502900229,368.8932707,0,1,0,402.4237007,20.06050101,7.38291469,557.416278,23.60966493,8.229874559,681.5253388,26.10604027,8.800229586,1.147602239,1.09631797,486.1121957,393.3032997,217.6161659,1.235972838,2.233805535,1.807325748,4.406842126,3.964631517,7.232820171,0.824336042,4.462408855,4.441365945,2.8488998,11.92055896,14.22342148,8.400480465,9.460871831,9.98700655,5.738408828,7.601061573,2.741632412,0.846873884,0.004424831,7.94E-04,2.75E-26,1.83E-70,2.36E-136,5.86E-224,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,4.441098491,0.752159305,3.925034848,1.514589699,3.148635846,0.402904979,0.508400938,0.788052458,0.324553431,0.029209755,0.005980492,3.12E-05,5.59E-06,1.94E-28,1.29E-72,1.66E-138,4.13E-226,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,4.441116993,1.028085104,4.977492577,3.264153374,3.923593942,1.464765901,1.687708671,1.350857927,1.254173586,0.226655871,0.062196575,3.25E-04,5.83E-05,2.02E-27,1.35E-71,1.73E-137,4.30E-225,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,4.441336804,2.666743772,11.22603571,13.14661154,7.973877956,8.627912695,9.139470105,5.276981519,6.959021218,2.449562004,0.754560325,0.003942445,7.07E-04,2.45E-26,1.63E-70,2.10E-136,5.22E-224,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,4.44114041,1.262650356,5.872066815,4.715947225,4.543780265,2.427395498,2.721583441,1.870128075,2.05731869,0.467964693,0.135060172,7.05E-04,1.27E-04,4.38E-27,2.92E-71,3.76E-137,9.35E-225,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,4.441488339,3.584421853,14.72487689,18.54961123,10.09931746,12.86108877,13.42850959,7.626683751,10.20144728,3.96612146,1.235034142,0.0064532,0.001157883,4.01E-26,2.67E-70,3.44E-136,8.55E-224,0,0,0,0,0,0,0,0,0,0,0,0,2.957336046,4.08214555,1.444115354,7.239517968,7.71423816,5.624936709,4.607457334,4.607895015,3.553642614,4.076699998,1.087018147,0.320787906,0.001675676,3.01E-04,1.04E-26,6.95E-71,8.94E-137,2.22E-224,0,0,0,0,0,0,0,0,0,0,0,0,3.766643198,2.00113878,1.098754395,0.54855068,0.291433508,0.525790248,0.508395372,0.481672466,6.866536373,13.87495157,29.02343245,0.32282602,1.515858086,2.95103871,1.385439963,0.563361683,0.60227242,0.282752062,0.319356509,0.236375124,0.128229084,4.899840356,6.531492884,13.73463013,0.40340863,0.683960717,3.274459426,1.630201015,0.776287736,0.576393117,0.286959318,0.394862431,0.331783922,0.242419335,5.680948177,9.14545483,18.97024797,0.364589675,0.969065688,3.746403149,1.9859162,1.085527173,0.549499484,0.291282034,0.520022779,0.500388165,0.47031854,6.817846521,13.66263112,28.55684616,0.324249227,1.490729484,3.418849765,1.739197665,0.871072653,0.567056174,0.288466251,0.431261222,0.379673948,0.304550457,6.029120083,10.43908959,21.64765603,0.350584261,1.115485627,3.830023136,2.048791229,1.140156935,0.545667303,0.291893376,0.544063961,0.533880616,0.518050575,7.018971301,14.54968878,30.51537784,0.318500954,1.595995151,3.761859357,1.991933456,1.087831177,0.54984889,0.291149215,0.524440735,0.503644191,0.471517453,6.84162399,13.75252872,28.74567804,0.324773335,1.49960238 +UMLMON0204,L,"1,2,4-trimethylcyclopentane",CC1CC(C(C1)C)C,17779, (cis)(cis)(trans) reported,UML,[1],C8H16,PubChem,,79.5,0,1.3988,1.95664144,39.1434,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,2227.640869,1967.400801,1205.016461,357.373296,36.578304,0,0,4371.159516,5876.91121,9122.433659,10473.68557,7967.307003,4030.400975,1119.0148,0,0,188.796996,195.98202,384.660436,552.993732,683.209076,393.729984,241.864704,0,0,33.10313229,45.14389758,73.21490844,91.90068631,79.15071224,43.40408352,16.00606457,0,0,4469.666941,3897.355064,8339.687441,12183.53156,16903.40242,9681.838349,6657.035473,0,0,42.34027778,51.25,86.125,126.875,129.9166667,79.5,36,0,0,48.76541633,56.15943233,41.25260869,25.22308719,12.17188344,6.269706947,1.016064,0,0,161.8947969,217.6633782,168.9339566,134.2780201,80.47784852,70.70878903,31.08374443,0,0,6.992481333,7.258593333,7.123341407,7.089663231,6.901101778,6.907543579,6.718464,0,0,1.226041937,1.671996207,1.355831638,1.178213927,0.799502144,0.761475149,0.444612905,0,0,165.54322,144.3464838,154.4386563,156.1991226,170.7414386,169.8568131,184.917652,0,0,1.568158436,1.898148148,1.594907407,1.626602564,1.312289562,1.394736842,1,0,0,0.035371514,-0.005246614,0.009031819,-0.036160978,0.010991017,-0.017456144,0.021155143,0,0,726.396054,6.89E-13,121.066009,-766.7513903,121.066009,-322.8426907,484.264036,0,0,1350.764481,-6.39E-13,225.1274134,-1425.806952,225.1274134,-600.3397692,900.5096538,0,0,0.142296,2.05E-15,0.023716,-0.150201333,0.023716,-0.063242667,0.094864,0,0,6.038545709,1.66E-14,1.006424285,-6.374020471,1.006424285,-2.683798093,4.025697139,0,0,32.80147613,-1.98E-13,5.466912688,-34.62378036,5.466912688,-14.57843384,21.86765075,0,0,3.019032922,-1.547067901,1.850823045,-3.201331733,2.063957476,-2.215334934,1.539437586,0,0,0.001310056,-1.94E-04,1.67E-04,-4.64E-04,1.11E-04,-3.06E-04,5.88E-04,0,0,26.90355756,2.55E-14,2.24196313,-9.83014603,1.22288898,-5.663906854,13.45177878,0,0,50.0283141,-2.37E-14,4.169026175,-18.2795763,2.274014277,-10.53227665,25.01415705,0,0,0.005270222,7.59E-17,4.39E-04,-0.001925658,2.40E-04,-0.00110952,0.002635111,0,0,0.223649841,6.15E-16,0.018637487,-0.081718211,0.010165902,-0.047084177,0.111824921,0,0,1.214869486,-7.34E-15,0.101239124,-0.44389462,0.05522134,-0.255761997,0.607434743,0,0,0.111816034,-0.057298811,0.034274501,-0.041042715,0.020848055,-0.038865525,0.042762155,0,0,-0.148328782,0.127670798,-0.353879718,0.084744747,-0.233767198,0.448563121,0,0,9.49E-16,0.083333333,-0.365384615,0.045454545,-0.210526316,0.5,0,0,-4.73E-16,0.083333333,-0.365384615,0.045454545,-0.210526316,0.5,0,0,1.44E-14,0.083333333,-0.365384615,0.045454545,-0.210526316,0.5,0,0,2.75E-15,0.083333333,-0.365384615,0.045454545,-0.210526316,0.5,0,0,-6.04E-15,0.083333333,-0.365384615,0.045454545,-0.210526316,0.5,0,0,-0.512438235,0.306525814,-0.367055716,0.186449604,-0.347584543,0.382433123,0,0,1.594163625,0.946088537,1.512466344,0.733860973,1.160776151,0.002220816,0,0,1.444444444,1.12345679,1.5,0.765993266,1.026315789,0,0,0,1.444444444,1.12345679,1.5,0.765993266,1.026315789,0,0,0,1.444444444,1.12345679,1.5,0.765993266,1.026315789,0,0,0,1.444444444,1.12345679,1.5,0.765993266,1.026315789,0,0,0,1.444444444,1.12345679,1.5,0.765993266,1.026315789,0,0,0,2.051116033,0.518316579,1.570667916,0.585069471,1.529768364,0,0,0,37.26579663,18.63289832,26.56578181,37.26579663,4.14064407,18.63289835,1.78E-14,0.040935541,0.004548393,-2.876180948,151.3799242,16.81999158,4.517813458,37.26579663,18.63289832,26.56578181,37.26579663,4.14064407,18.63289835,1.78E-14,0.040935541,0.004548393,-2.876180948,151.3799242,16.81999158,4.517813458,37.26579663,18.63289832,26.56578181,37.26579663,4.14064407,18.63289835,1.78E-14,0.040935541,0.004548393,-2.876180948,151.3799242,16.81999158,4.517813458,37.26579663,18.63289832,26.56578181,37.26579663,4.14064407,18.63289835,1.78E-14,0.040935541,0.004548393,-2.876180948,151.3799242,16.81999158,4.517813458,37.26579663,18.63289832,26.56578181,37.26579663,4.14064407,18.63289835,1.78E-14,0.040935541,0.004548393,-2.876180948,151.3799242,16.81999158,4.517813458,37.26579663,18.63289832,26.56578181,37.26579663,4.14064407,18.63289835,1.78E-14,0.040935541,0.004548393,-2.876180948,151.3799242,16.81999158,4.517813458,45.6862744,22.71157856,32.8792114,45.48162762,5.053514181,22.71157856,-0.263117284,0.031306351,0.003478483,-3.117540876,79.93027067,8.881141185,3.943039174,0,11.89,12.11013444,-0.157935343,0.063628452,6.154742701,9.387512086,9,27,27,27,9,0,0,0,0,0,19.677726,3.702327045,3.134560525,2.872109862,2.333552793,2.213904169,2.138505448,1.363659738,0.985053997,2.027975054,1.637336379,1.473290534,1.249629723,1.107110848,1.03149125,0.615895756,0.369439726,3.723573504,3.167277911,2.913066305,2.405454588,2.282930296,2.206258737,1.467869728,1.103775667,1.978762806,1.562833771,1.387819799,1.134540686,0.993793989,0.916700275,0.468261143,0.210799996,3.818092444,3.314239162,3.093860946,2.704236987,2.572298149,2.49301214,1.891746139,1.580378256,1.837193559,1.344032908,1.129862915,0.76031856,0.626976964,0.547624056,0.030782394,0.333757852,3.739281482,3.191571739,2.943316569,2.457539916,2.333098509,2.255671592,1.542948602,1.18898894,1.947715903,1.51533537,1.332737018,1.058262671,0.918800914,0.840909783,0.368977381,0.103539872,3.864835177,3.387099801,3.181518911,2.838982085,2.703823838,2.624573297,2.076682744,1.784720468,1.793964323,1.276605555,1.048070909,0.631337262,0.501372766,0.422359982,0.210009301,0.532992355,3.717767761,3.263168154,2.989369958,2.685036975,2.457380692,2.341000077,1.648681261,1.301797042,1.95698056,1.429116296,1.262112906,0.833608404,0.76467288,0.718377056,0.224963135,0.047485937,0,0,0,0,0,3,4,1,1,0,0,0,0.072168784,0.216506351,0,0,0,0.072168784,0.216506351,1.495781916,0.25,0,0,1.495781916,0.25,0,0,1.444814383,2.430412943,2.198259192,1.444814383,2.430412943,2.198259192,6.905777394,4.100953631,4.365737948,2.451524386,2.076524386,1.045385138,0.637136847,0,0.767308599,0.455661515,0.335825996,0.204293699,0.14832317,0.087115428,0.079642106,0,6.905777394,4.100953631,4.365737948,2.451524386,2.076524386,1.045385138,0.637136847,0,0.767308599,0.455661515,0.335825996,0.204293699,0.14832317,0.087115428,0.079642106,0,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.2227,41.413,35.38050655,47.99921715,70.7610131,7.862334788,35.38050655,0.102065305,0.011340589,-2.05392818,36.32784657,4.036427397,3.233326113,61,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,4,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,7.158958333,0,5.793587963,0,0,0,0.980324074,0,0,0,0,0,0.650462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.375902778,0,1.4375,0,0,0,0.980324074,0,0,0,0,0,0.650462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.391527778,0,1.461736111,0,0,0,0.980324074,0,0,0,0,0,0.650462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.58333333,1.62037037,0.2,2.391527778,0,0.650462963,6.461180556,0.599537037,0.391527778,2.317916667,0.599537037,0.391527778,2.317916667,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.33333,0.11111,0.11111,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,10.70711,1.18968,10.70711,0,0,4.10095,0.45566,4.10095,0,0,0.31305,0.03478,0.39905,0.04434,0.222222222,9,0,0,0,0,0,0,1,0.918295834,1.50253426,2.735282872,3.531941206,3.319521298,3.380094336,24.79398752,40.56842503,73.85263755,95.36241255,89.62707506,91.26254708,0.193126721,0.315997857,0.575257116,0.742802265,0.698128252,0.710867362,3.836591668,3.252353242,2.01960463,1.222946297,1.435366204,1.374793166,0.193126721,0.315997857,0.575257116,0.742802265,0.698128252,0.710867362,6.73287657,13.74373769,19.36463649,19.04596554,19.13921142,19.20025844,35.54887502,25.26783891,19.82489723,19.03080047,19.01988474,18.94948326,7.111111111,2.319526627,2,0,0,0,2.45,1.2681,0.944940787,4.559014114,1.44224957,2.080083823,3.532775529,2.555772417,2.555772417,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.14,0.131,0.159,0.212,3.981,13,12,14,12,8,0,0,0,0,77,2.302585093,2.63905733,2.564949357,2.708050201,2.564949357,2.197224577,0,0,0,0,4.356708827,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,1,3,4,0.333333333,3.5,1.111111111,0.8125,0.333333333,0,0,0,0,0,0,0.388888889,0.085470085,0.090277778,0.066666667,0,0,0,0,0,0,0.631303419,18.63289832,26.56578181,37.26579663,4.14064407,18.63289835,0.040935541,0.004548393,-2.876180948,151.3799242,16.81999158,4.517813458,0,151.8638616,4.169925001,3.80666249,4.553876892,5.433722004,6.196444128,7.079184395,7.845807503,8.728911725,9.496646498,10.37975279,81.52100842,2.944438979,0,4.262679877,0,5.765191103,0,7.351799869,0,8.974491448,9.197457746,126.1408506,4.671883355,17.31070842,1.923412046,0,0,0,82,9,5.036,44,1.22699952,2.101172724,2.851153273,3.449092637,4.39090722,5.081642749,0,0,0,0,78.95148878,96.11301604,78.01325728,48.23866431,28.74304707,5.163274258,0,0,0,0,290.5400635,380.8358273,400.1141246,300.4316669,319.6272625,157.9564845,0,0,0,0,8.938429587,15.02170656,20.25224155,23.87444522,30.3740515,34.14083387,0,0,0,0,2.17886504,3.003514014,3.464195772,2.912249233,3.416747076,2.259363944,0,0,0,0,175.1121323,320.6583748,442.5861585,583.4356665,742.3471584,939.6854456,0,0,0,0,2.370754847,3.459590849,4.702065642,4.680269642,6.235653407,5.081642749,0,0,0,0,0.45089223,0.628172265,0.735586555,0.632159016,0.750876895,0.520360218,0,0,0,0,341.2768386,155.5926799,8.543052892,85.28874276,-38.88427972,-4.639090627,255.9880959,194.4769597,13.18214352,0.800057139,0.364756761,0.020027525,0.199942861,-0.091156627,-0.010875445,145.5769531,66.37048198,3.644172324,36.38124214,-16.58669538,-1.97887639,0.065428557,0.136863314,1.107271469,1.136299994,426.5655814,0,1,0,620.8036052,24.91593075,8.530701456,795.1702547,28.19876335,9.264458536,1127.442018,33.57740339,10.40793901,1.43477219,1.43477219,424.0808255,358.6093695,200.2281206,1.1825704,2.117988343,1.791004023,3.944190756,3.780722771,6.119384403,0.618575276,5.020831515,7.435097347,10.32718377,12.81759536,23.63518532,10.04274865,12.9221206,11.02192452,8.520228211,2.913577728,2.880681944,5.11E-07,2.09E-34,1.66E-83,2.53E-154,7.43E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.4219314,6.525995987,0.653282881,5.42740303,1.62196732,2.533935239,2.068340722,0.510141481,0.248409475,0.059446752,0.020288878,3.60E-09,1.48E-36,1.17E-85,1.78E-156,5.23E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.36066474,6.586744756,2.207653281,6.399880166,4.779966402,3.672321376,3.277620945,1.66240059,1.109371546,0.31384902,0.211425757,3.75E-08,1.54E-35,1.22E-84,1.85E-155,5.45E-248,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.739290068,7.335286269,9.5862737,12.17554743,21.81514292,9.443566142,11.90169704,10.02696164,7.721093966,2.622748288,2.56663575,4.55E-07,1.87E-34,1.48E-83,2.25E-154,6.62E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.005075814,6.665507989,3.39946937,7.226610273,7.344332176,4.570870362,4.406517786,2.748357281,1.946094664,0.58593363,0.459244995,8.15E-08,3.34E-35,2.64E-84,4.03E-155,1.18E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.063252857,7.854789284,13.23925616,15.41011554,30.91036804,12.41964166,17.10445892,15.10485689,11.81144626,4.122212875,4.201203885,7.45E-07,3.06E-34,2.42E-83,3.68E-154,1.08E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.328795837,6.042917589,5.494572983,9.470744773,12.21197326,6.199259332,7.062468505,5.491745353,4.097918346,1.30252193,1.097151811,1.95E-07,7.98E-35,6.31E-84,9.62E-155,2.83E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.116506289,1.589860268,1.08648616,0.537991632,0.274452044,0.549593667,0.483751445,0.472641468,5.792852716,10.06821165,21.24439634,0.306987448,1.50598658,2.308814054,1.05581273,0.535231275,0.59202515,0.270731066,0.302502323,0.213609786,0.115850744,3.89985806,4.238528755,9.443106858,0.388037726,0.631962853,2.629514778,1.267894814,0.754284501,0.565281105,0.27256625,0.391868909,0.307898939,0.229191237,4.651694093,6.273703799,13.44014331,0.347921658,0.928959085,3.09650187,1.576636147,1.072849485,0.538898121,0.274389067,0.542591754,0.475752865,0.460968076,5.745987502,9.895630492,20.87933009,0.308347182,1.479312695,2.772504063,1.362438306,0.851875989,0.555966523,0.273207927,0.435426074,0.355449821,0.291817714,4.986818358,7.299823859,15.50448939,0.333949784,1.082693609,3.179137104,1.631262408,1.129175677,0.535246546,0.274642943,0.571805341,0.509222862,0.510107975,5.939575189,10.61779297,22.41328096,0.302869819,1.591136179,3.109938526,1.578159769,1.077831499,0.539364619,0.273704298,0.547210598,0.476664351,0.465036709,5.765929794,9.960959877,21.01686496,0.309046928,1.488911659 +UMLMON0205,L,"1,1,3-Trimethylcyclohexane",CC1CCCC(C1)(C)C,18309,Sandia value from co-optima databse because UML has reliable source and Ron values match with sandia's we should just use UML sensitivity ,"Sandia, UML",[1],C9H18,PubChem,,83.6,0,0.8973,0.80514729,39.568,30.93586,0,0,30,10,20,0,10,0,0,0,0,0,0,0,0,0,1462.96249,1684.78297,2421.349406,2285.223539,1611.567391,866.958123,218.184624,18.289152,0,4856.843906,6529.901345,10035.98077,11705.61132,9868.455737,6371.974673,2840.064045,559.5073998,0,209.77444,217.7578,427.389944,615.902348,749.311036,559.435116,348.629184,120.932352,0,36.7812581,50.1598862,80.90259859,101.9286395,94.53011662,64.45231154,32.70922922,8.003032287,0,4966.296601,4330.394515,9263.88964,13667.95363,18133.46365,13786.51659,8953.873689,3328.517736,0,46.59027778,56.5,95.58333333,139.5833333,148.0416667,108.5,61.5,18,0,48.76541633,56.15943233,40.35582343,26.26693723,14.92192029,10.7031867,4.278129882,1.016064,0,161.8947969,217.6633782,167.2663462,134.5472566,91.37459016,78.66635399,55.6875303,31.08374443,0,6.992481333,7.258593333,7.123165733,7.079337333,6.938065148,6.90660637,6.835866353,6.718464,0,1.226041937,1.671996207,1.348376643,1.171593557,0.875278858,0.79570755,0.641357436,0.444612905,0,165.54322,144.3464838,154.3981607,157.1029153,167.9024412,170.2039085,175.5661508,184.917652,0,1.553009259,1.883333333,1.593055556,1.60440613,1.370756173,1.339506173,1.205882353,1,0,0.039591661,-0.005542657,0.006021164,-0.027834067,-0.001659222,-0.003713908,0.001711852,0.011221008,0,807.1067267,-5.90E-13,80.71067267,-645.6853813,-80.71067267,-80.71067267,80.71067267,242.132018,0,1500.849423,5.26E-13,150.0849423,-1200.679538,-150.0849423,-150.0849423,150.0849423,450.2548269,0,0.158106667,3.66E-15,0.015810667,-0.126485333,-0.015810667,-0.015810667,0.015810667,0.047432,0,6.709495232,1.85E-14,0.670949523,-5.367596186,-0.670949523,-0.670949523,0.670949523,2.01284857,0,36.44608459,-3.02E-13,3.644608459,-29.15686767,-3.644608459,-3.644608459,3.644608459,10.93382538,0,3.190046296,-1.534027778,1.96712963,-2.374513889,0.079953704,-0.441597222,-0.032106481,0.740138889,0,0.001319722,-1.85E-04,1.00E-04,-3.20E-04,-1.54E-05,-4.59E-05,3.36E-05,6.23E-04,0,26.90355756,-1.97E-14,1.345177878,-7.42167105,-0.747321043,-0.996428058,1.582562209,13.45177878,0,50.0283141,1.75E-14,2.501415705,-13.80091423,-1.389675392,-1.852900522,2.942842006,25.01415705,0,0.005270222,1.22E-16,2.64E-04,-0.001453854,-1.46E-04,-1.95E-04,3.10E-04,0.002635111,0,0.223649841,6.16E-16,0.011182492,-0.061696508,-0.006212496,-0.008283327,0.013155873,0.111824921,0,1.214869486,-1.01E-14,0.060743474,-0.33513641,-0.033746375,-0.044995166,0.071462911,0.607434743,0,0.106334877,-0.051134259,0.032785494,-0.027293263,7.40E-04,-0.005451818,-6.30E-04,0.041118827,0,-0.139995568,0.076040814,-0.242423629,-0.011641214,-0.034742706,0.02543393,0.472364097,0,-7.31E-16,0.05,-0.275862069,-0.027777778,-0.037037037,0.058823529,0.5,0,3.50E-16,0.05,-0.275862069,-0.027777778,-0.037037037,0.058823529,0.5,0,2.32E-14,0.05,-0.275862069,-0.027777778,-0.037037037,0.058823529,0.5,0,2.76E-15,0.05,-0.275862069,-0.027777778,-0.037037037,0.058823529,0.5,0,-8.29E-15,0.05,-0.275862069,-0.027777778,-0.037037037,0.058823529,0.5,0,-0.480879472,0.308323053,-0.25667273,0.006962081,-0.051270267,-0.005920342,0.386691822,0,1.592376473,1.010287865,1.369226645,0.902900783,0.914858428,0.702183855,0.003362329,0,1.45,1.16,1.4,0.90625,0.859259259,0.639705882,0,0,1.45,1.16,1.4,0.90625,0.859259259,0.639705882,0,0,1.45,1.16,1.4,0.90625,0.859259259,0.639705882,0,0,1.45,1.16,1.4,0.90625,0.859259259,0.639705882,0,0,1.45,1.16,1.4,0.90625,0.859259259,0.639705882,0,0,2.024381395,0.536608374,1.507147522,0.874765176,0.975013908,0.735283447,0,0,46.75454929,23.37727465,34.54807559,46.75454929,4.675454929,23.37727465,-7.11E-15,0.032427167,0.003242717,-3.428758735,56.28586604,5.628586604,4.030443456,46.75454929,23.37727465,34.54807559,46.75454929,4.675454929,23.37727465,-7.11E-15,0.032427167,0.003242717,-3.428758735,56.28586604,5.628586604,4.030443456,46.75454929,23.37727465,34.54807559,46.75454929,4.675454929,23.37727465,-7.11E-15,0.032427167,0.003242717,-3.428758735,56.28586604,5.628586604,4.030443456,46.75454929,23.37727465,34.54807559,46.75454929,4.675454929,23.37727465,-7.11E-15,0.032427167,0.003242717,-3.428758735,56.28586604,5.628586604,4.030443456,46.75454929,23.37727465,34.54807559,46.75454929,4.675454929,23.37727465,-7.11E-15,0.032427167,0.003242717,-3.428758735,56.28586604,5.628586604,4.030443456,46.75454929,23.37727465,34.54807559,46.75454929,4.675454929,23.37727465,-7.11E-15,0.032427167,0.003242717,-3.428758735,56.28586604,5.628586604,4.030443456,58.38107682,28.98180038,43.82664094,58.22116015,5.822116015,28.98180038,-0.266527778,0.019442213,0.001944221,-3.940308655,66.88663106,6.688663106,4.202999112,0,11.9,12.10017173,-0.151272548,0.048925288,6.7401875,9.697515466,10,30,30,30,10,0,0,0,0,0,21.86414,3.699883729,3.305544835,2.750129472,2.609847324,2.333552793,2.333552793,1.456797487,1.414677185,2.026690222,1.763079672,1.372874417,1.258535837,1.249629723,1.249629723,0.666206401,0.596694874,3.721112863,3.335935477,2.792995694,2.65422722,2.405454588,2.405454588,1.556142907,1.507653653,1.977201716,1.69575075,1.285229005,1.167279261,1.134540686,1.134540686,0.522081792,0.451765332,3.815779896,3.47075498,2.981537655,2.850423472,2.704236987,2.704236987,1.9628467,1.897569043,1.834946156,1.49784449,1.018928274,0.889438056,0.76031856,0.76031856,0.037619229,0.029338073,3.736821497,3.358397381,2.824624264,2.687042256,2.457539916,2.457539916,1.62787375,1.575377386,1.94598469,1.652853316,1.228596505,1.10824622,1.058262671,1.058262671,0.425347018,0.354859494,3.862697486,3.536909776,3.072480534,2.945335426,2.838982085,2.838982085,2.141548494,2.072855649,1.791584114,1.436442398,0.933903671,0.80075203,0.631337262,0.631337262,0.135164289,0.197637851,3.720348292,3.412472262,2.83592018,2.706255548,2.692371696,2.692371696,1.73278488,1.661019947,1.954326924,1.574916332,1.178380734,1.043949962,0.827086722,0.827086722,0.281516034,0.220324498,0,0,0,0,0,3,5,1,1,0,0,0,0.102062073,0.051031036,0,0,0,0.102062073,0.051031036,1.510362971,0.288675135,0.433012702,0.144337567,1.510362971,0.288675135,0.433012702,0.144337567,1.861881719,2.103152481,2.150556853,1.861881719,2.103152481,2.150556853,7.612884175,4.605171716,4.70095927,2.829916587,1.968614081,1.369082439,0.535074775,0.306186218,0.761288418,0.460517172,0.335782805,0.202136899,0.140615291,0.097791603,0.066884347,0.051031036,7.612884175,4.605171716,4.70095927,2.829916587,1.968614081,1.369082439,0.535074775,0.306186218,0.761288418,0.460517172,0.335782805,0.202136899,0.140615291,0.097791603,0.066884347,0.051031036,15.41827804,28.87836854,27.25490196,27.6,17.98554491,230.2825509,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.6128,46.03,40.42054828,58.46993254,80.84109655,8.084109655,40.42054828,0.278590457,0.027859046,-1.278012472,37.98302013,3.798302013,3.637139221,78,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,3,0,5,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,7.133888889,0,7.378425926,0,0,0,1.001157407,0,0,0,0,0,0.569861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.377962963,0,1.474143519,0,0,0,1.001157407,0,0,0,0,0,0.569861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.377962963,0,1.47875,0,0,0,1.001157407,0,0,0,0,0,0.569861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.08333333,1.608333333,0.2,2.377962963,0,0.569861111,7.203349167,0.680138889,0.377962963,2.267777778,0.680138889,0.377962963,2.267777778,5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.3,0.1,0.1,5,0.5,5,0.5,0,0,-5,-0.5,0,0,12.42563,1.24256,12.42563,0,0,4.60517,0.46052,4.60517,0,0,0.30883,0.03088,0.39483,0.03948,0.2,10,0,0,0,0,0,0,1,0.918295834,1.480120933,2.464944563,2.813757678,2.835591746,2.477865082,27.54887502,44.40362799,73.9483369,84.41273035,85.06775238,74.33595246,0.187144143,0.301641315,0.502343493,0.573429879,0.577879553,0.504976631,3.988594762,3.426769662,2.441946032,2.093132917,2.07129885,2.429025513,0.187144143,0.301641315,0.502343493,0.573429879,0.577879553,0.504976631,6.73287657,13.47477776,16.24611747,16.87425524,15.11745036,12.5431576,39.49875002,28.66653932,27.18378832,25.52741161,28.63218775,33.58715058,8.1,2.93877551,2.285714286,4,0,3,2.56,1.409,1.5,4.02369228,1.5,3,6.083643419,3.041821709,1.850535862,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.14,0.131,0.159,0.212,4.48,14,14,14,14,8,6,0,0,0,90,2.397895273,2.708050201,2.708050201,2.708050201,2.708050201,2.197224577,1.945910149,0,0,0,4.510859507,1,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,1,3,5,0.666666667,3,1.333333333,0.6875,0.248888889,0.1875,0,0,0,0,0,0.3,0.095238095,0.0625,0.035555556,0.0625,0,0,0,0,0,0.555793651,23.37727465,34.54807559,46.75454929,4.675454929,23.37727465,0.032427167,0.003242717,-3.428758735,56.28586604,5.628586604,4.030443456,0,169.1598463,4.321928095,3.891820298,4.65396035,5.509388337,6.300785795,7.153833802,7.954723334,8.804925263,9.609988595,10.45826307,84.33768885,3.044522438,0,4.343805422,0,5.843544417,0,7.419979924,0,9.031333316,9.257128533,140.1565006,4.671883355,19.29949945,1.929949945,0,0,0,114,11,5.605,48,1.229266235,2.106979274,2.872320518,3.488659952,4.024612105,4.926675166,5.666484958,0,0,0,79.27849437,95.59097279,79.58614481,57.66912418,48.97790216,21.90392404,5.757511372,0,0,0,291.5000555,380.9063067,401.1898241,332.7956864,342.7293742,280.5916894,176.1355702,0,0,0,8.955521785,15.06610491,20.37921733,24.22823481,27.89301304,33.70785572,38.07007519,0,0,0,2.185186681,3.009683411,3.46392879,3.133010691,3.390132786,3.209636546,2.519392337,0,0,0,175.3995389,321.2615967,447.8345631,584.1705719,677.5066462,862.5866916,1047.833094,0,0,0,2.355586761,3.48065571,4.685926882,4.825180351,5.572660333,6.00615775,5.666484958,0,0,0,0.452167257,0.629629359,0.735400443,0.67672662,0.737505303,0.714136696,0.58024806,0,0,0,356.3198315,181.196284,9.066289967,91.29543519,-46.42568878,-4.952307123,265.0243963,227.6219728,14.01859709,0.79604039,0.404803628,0.020254649,0.20395961,-0.10371784,-0.011063758,159.4941964,81.10622298,4.058209801,40.86523057,-20.78084706,-2.216728273,0.060146308,0.117615974,0.637338014,0.843340939,447.6152667,0,1,0,682.8851744,26.13207176,8.806078679,876.625896,29.60786882,9.57057649,1287.133758,35.87664641,10.87780394,1.508605304,1.453219542,559.03193,480.7017889,215.240952,1.162949552,2.59723777,2.233319378,4.164084031,3.779648656,6.970405536,0.844194043,6.358676379,7.846407593,10.46064784,22.2920557,20.6413652,21.36607319,15.20302377,13.91793056,14.80825884,9.680101016,6.328560688,1.034445156,0.934935504,6.60E-13,9.16E-47,2.45E-102,1.27E-179,1.26E-278,0,0,0,0,0,0,0,0,0,0,0,0,0.474237702,7.499729244,0.691797383,9.991034777,1.025961552,3.135942128,1.382316714,2.572377812,0.790838036,0.538922811,0.083869551,0.007380959,0.006584827,4.65E-15,6.45E-49,1.73E-104,8.93E-182,8.90E-281,0,0,0,0,0,0,0,0,0,0,0,0,1.569031636,7.570408502,2.331405672,11.50446639,3.724469416,5.637317294,2.755765495,3.782082338,2.811401346,1.919768236,0.565442093,0.076167207,0.068618976,4.84E-14,6.72E-48,1.80E-103,9.31E-181,9.27E-280,0,0,0,0,0,0,0,0,0,0,0,0,5.960813761,7.825154058,9.737222924,21.18612452,18.97871195,19.81851873,13.84479861,12.83203953,13.65271371,8.948885086,5.665691937,0.921737614,0.833010702,5.88E-13,8.16E-47,2.19E-102,1.13E-179,1.13E-278,0,0,0,0,0,0,0,0,0,0,0,0,2.352149515,7.61895289,3.562180694,12.83955894,5.964514968,7.71661182,4.128432925,4.94094976,4.448073308,3.011700853,1.131514962,0.165210897,0.149049586,1.05E-13,1.46E-47,3.91E-103,2.02E-180,2.01E-279,0,0,0,0,0,0,0,0,0,0,0,0,7.874498957,7.925134085,13.28152752,26.78748016,27.32177504,27.58592811,20.81340695,18.38281575,19.42440753,12.58230288,9.101435145,1.508330274,1.363515566,9.62E-13,1.34E-46,3.58E-102,1.85E-179,1.84E-278,0,0,0,0,0,0,0,0,0,0,0,0,4.003867429,6.75569833,5.434687399,17.1518808,10.24322384,12.27154107,7.215779161,7.867108596,8.001745678,5.458761599,2.54591687,0.400382725,0.361434435,2.55E-13,3.54E-47,9.49E-103,4.90E-180,4.88E-279,0,0,0,0,0,0,0,0,0,0,0,0,3.613571886,1.660494408,1.021639776,0.573974046,0.263750307,0.536470495,0.577957921,0.432472753,6.29570607,11.38851182,23.81437929,0.360961069,1.546901168,2.948036232,1.047262756,0.489236827,0.657378233,0.233527571,0.357178054,0.228852553,0.09936408,4.484535815,5.042015949,11.03700616,0.48606735,0.685394688,3.212245727,1.290906615,0.70072151,0.617279707,0.24806647,0.423985658,0.348448362,0.203687109,5.203873852,7.302164966,15.41172719,0.425919561,0.976121129,3.59708324,1.645321368,1.00846199,0.575453529,0.263214923,0.531587063,0.567395139,0.421408839,6.250866597,11.2051237,23.42442929,0.363180293,1.520391041,3.330066235,1.399471171,0.794975017,0.602780115,0.253320305,0.455630881,0.409853075,0.262079351,5.524512422,8.420195771,17.64955546,0.404170173,1.127563307,3.6651972,1.707994275,1.062895011,0.569476064,0.265377769,0.551905686,0.611655921,0.468033192,6.436086486,11.97127425,25.06122788,0.354214096,1.6315948,3.604376883,1.649371747,1.013017801,0.575157367,0.263193429,0.533738311,0.57019668,0.425218267,6.266766431,11.26709828,23.55621238,0.362736051,1.529153258 +UMLMON0206,L,tert-butylcyclohexane,CC(C)(C)C1CCCCC1,18508,,UML,[1],C10H20,PubChem,,89.2,0,1.0301,1.06110601,44.0805,28.268688,0,0,26,10,16,0,10,0,0,0,0,0,0,0,0,0,1458.898234,1780.618739,2488.906743,2263.967004,1306.696445,563.26973,135.295776,12.192768,0,4732.508928,6494.471781,9646.742996,10388.88226,8265.813706,4394.714269,1582.538586,373.0049332,0,182.900584,196.827788,365.350812,477.165936,553.230644,445.928456,165.234816,80.621568,0,35.00280648,48.49460896,75.23178111,86.68456019,77.6166996,46.2981097,17.36002377,5.335354858,0,4226.625993,3844.69868,7732.278102,10324.81365,12855.30323,11299.29381,4120.072605,2219.011824,0,47.64583333,56.05555556,86.48611111,117.2222222,123,88.66666667,40,12,0,56.11147054,65.94884219,48.802093,33.7905523,16.54046133,8.665688154,5.637324,1.016064,0,182.0195742,240.5359919,189.1518235,155.0579442,104.6305532,67.61098876,65.93910774,31.08374443,0,7.034637846,7.289918074,7.163741412,7.121879642,7.002919544,6.860437785,6.884784,6.718464,0,1.346261788,1.796096628,1.475132963,1.293799406,0.982489868,0.712278611,0.723334324,0.444612905,0,162.5625382,142.3962474,151.6132961,154.1016963,162.7253574,173.8352894,171.6696919,184.917652,0,1.832532051,2.076131687,1.6958061,1.749585406,1.556962025,1.364102564,1.666666667,1,0,0.045516393,-0.007347187,-2.44E-04,-0.01554476,-0.019394725,0.020108329,-0.015248491,0.014912584,0,745.0215938,45.8474827,121.7823759,-467.07123,-587.4208721,335.2597172,-35.81834586,214.9100751,0,1385.399467,85.25535183,226.4595283,-868.5388968,-1092.334195,623.4297603,-66.60574362,399.6344617,0,0.145944615,0.008981207,0.023856331,-0.091496047,-0.115071716,0.065675077,-0.007016568,0.042099408,0,6.193380214,0.38113109,1.012379458,-3.882772981,-4.883242092,2.787021097,-0.297758664,1.786551985,0,33.64253962,2.070310131,5.499261284,-21.09128445,-26.52584855,15.13914283,-1.617429789,9.704578737,0,5.549412393,-1.599656887,0.674176118,-1.322310569,-2.306387656,3.466479701,-2.577662722,0.890655819,0,0.001750631,-2.72E-04,-4.78E-06,-2.32E-04,-2.46E-04,3.09E-04,-6.35E-04,0.001242715,0,28.65467669,1.698054915,2.387889724,-6.971212388,-7.435707241,5.157841804,-1.492431077,17.90917293,0,53.2845949,3.157605624,4.440382908,-12.96326712,-13.82701513,9.591227081,-2.775239318,33.30287181,0,0.005613254,3.33E-04,4.68E-04,-0.001365613,-0.001456604,0.001010386,-2.92E-04,0.003508284,0,0.238206931,0.014115966,0.019850578,-0.057951836,-0.061813191,0.042877248,-0.012406611,0.148879332,0,1.293943832,0.076678153,0.107828653,-0.31479529,-0.335770235,0.23290989,-0.067392908,0.808714895,0,0.213438938,-0.059246551,0.01321914,-0.019735979,-0.02919478,0.053330457,-0.107402613,0.074221318,0,-0.155440013,-0.002732328,-0.132530161,-0.140236813,0.176712855,-0.362928542,0.709867297,0,0.059259259,0.083333333,-0.243283582,-0.259493671,0.18,-0.052083333,0.625,0,0.059259259,0.083333333,-0.243283582,-0.259493671,0.18,-0.052083333,0.625,0,0.059259259,0.083333333,-0.243283582,-0.259493671,0.18,-0.052083333,0.625,0,0.059259259,0.083333333,-0.243283582,-0.259493671,0.18,-0.052083333,0.625,0,0.059259259,0.083333333,-0.243283582,-0.259493671,0.18,-0.052083333,0.625,0,-0.277580801,0.061934058,-0.092466627,-0.136782823,0.249862829,-0.503200655,0.34774029,0,1.35733726,0.916526021,1.105849616,1.049947181,0.641494682,1.661199849,0.250447054,0,1.203703704,1.035539216,1.30363806,1.182753165,0.59375,0.846354167,0,0,1.203703704,1.035539216,1.30363806,1.182753165,0.59375,0.846354167,0,0,1.203703704,1.035539216,1.30363806,1.182753165,0.59375,0.846354167,0,0,1.203703704,1.035539216,1.30363806,1.182753165,0.59375,0.846354167,0,0,1.203703704,1.035539216,1.30363806,1.182753165,0.59375,0.846354167,0,0,1.559594922,0.587046196,1.133015914,1.032391587,0.498628291,2.627905857,0,0,42.22533834,21.11266917,30.74255659,42.22533834,4.222533834,21.11266917,-7.11E-15,0.127019246,0.012701925,-2.063416664,90.46544193,9.046544193,4.504967921,42.22533834,21.11266917,30.74255659,42.22533834,4.222533834,21.11266917,-7.11E-15,0.127019246,0.012701925,-2.063416664,90.46544193,9.046544193,4.504967921,42.22533834,21.11266917,30.74255659,42.22533834,4.222533834,21.11266917,-7.11E-15,0.127019246,0.012701925,-2.063416664,90.46544193,9.046544193,4.504967921,42.22533834,21.11266917,30.74255659,42.22533834,4.222533834,21.11266917,-7.11E-15,0.127019246,0.012701925,-2.063416664,90.46544193,9.046544193,4.504967921,42.22533834,21.11266917,30.74255659,42.22533834,4.222533834,21.11266917,-7.11E-15,0.127019246,0.012701925,-2.063416664,90.46544193,9.046544193,4.504967921,42.22533834,21.11266917,30.74255659,42.22533834,4.222533834,21.11266917,-7.11E-15,0.127019246,0.012701925,-2.063416664,90.46544193,9.046544193,4.504967921,60.28864191,29.8200154,45.09867652,59.76975303,5.976975303,29.8200154,-0.648611111,0.174925674,0.017492567,-1.743394114,73.25248899,7.325248899,4.293912227,0,11.9,12.10017173,-0.127454752,0.074342322,6.234478304,9.981255199,11,27,26,26,10,1,1,0,0,1,17.491312,3.941163035,3.230153108,2.856676163,2.640541988,2.333552793,1.712270638,1.381888611,1.258318383,1.845036848,1.74089499,1.399710174,1.249629723,1.210778386,0.898551475,0.610100793,0.458991943,3.954301676,3.258520751,2.892354133,2.682325824,2.405454588,1.788773329,1.473531952,1.358247734,1.789620093,1.688398161,1.324614197,1.134540686,1.117699434,0.790157774,0.469234731,0.310944404,4.013515899,3.389119018,3.050419535,2.867538061,2.704236987,2.119757378,1.856915857,1.766966843,1.634434356,1.546643966,1.09647092,0.836378185,0.76031856,0.455113309,0.005197791,0.186854957,3.964049959,3.27976193,2.91872095,2.713238383,2.457539916,1.845103772,1.540252991,1.430363024,1.755009866,1.656042554,1.276160863,1.058262671,1.057629867,0.719583075,0.374578164,0.211563107,4.043392532,3.455514614,3.127735521,2.957594821,2.838982085,2.2733756,2.028554752,1.94664559,1.588548381,1.506601455,1.023212351,0.747527696,0.631337262,0.346989118,0.174302003,0.3644268,3.905707868,3.415206765,3.06219168,2.744426554,2.634654398,1.934731756,1.593008598,1.482901612,1.789925261,1.598953692,1.23900851,1.014022746,0.878556837,0.508467719,0.282948728,0.10932972,0,0,1,0,1,2,3,2,1,0.204124145,0.380039828,0.234708048,0.879494812,1.171606735,0.204124145,0.36425077,0.203263132,0.702130457,0.851089119,1.16660592,0.083333333,0.511485683,0.083333333,1.059452169,0.083333333,0.472737531,0.083333333,2.812278497,3.654697273,3.72193194,2.530863517,3.109430684,2.794373571,7.353371151,4.666337772,4.714440022,3.876003667,2.856765859,1.750461159,0.836242642,0.136082763,0.735337115,0.424212525,0.261913335,0.161500153,0.102027352,0.070018446,0.055749509,0.034020691,6.983127663,4.343187795,4.302822079,3.468092233,2.452511334,1.33943006,0.602574147,0.11785113,0.698312766,0.394835254,0.239045671,0.144503843,0.087589691,0.053577202,0.04017161,0.029462783,14.33462243,25.10269483,23.80392157,24.08,16.38843593,197.7114299,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,2.92489,43.482,42.30618161,57.61871717,84.61236321,8.461236321,42.30618161,0.203145384,0.020314538,-1.593833381,48.93012701,4.893012701,3.890393301,80,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,7,2,0,1,0,0,0,0,0,0,0,0,2,1,3,0,0,0,2,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.640115741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.323680556,0,0,0,1.726875,0.580555556,0,0.323680556,0,0,0,0,0,0,0,0,4.719444444,4.104282407,4.181064815,0,0,0,1.809490741,0,0,1.535833333,0,0,0.733217593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.535833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.323680556,0,0,0,0.216944444,0.290277778,0,0.323680556,0,0,0,0,0,0,0,0,2.359722222,4.104282407,1.30837963,0,0,0,0.88587963,0,0,1.535833333,0,0,0.733217593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.104282407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.323680556,0,0,0,0.290277778,0.290277778,0,0.323680556,0,0,0,0,0,0,0,0,2.359722222,4.104282407,1.447916667,0,0,0,0.923611111,0,0,1.535833333,0,0,0.733217593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.08333333,1.708333333,0.323680556,4.104282407,0.006041667,0.733217593,6.091354421,0.516782407,1.104282407,3.647453704,0.516782407,1.104282407,3.647453704,5,0.5,0,0,0.45385,0.7,0.44286,0.44286,0.7,0.01099,0.01099,0,0,0.71429,0,0,0.3,0.3,0.1,6.5,0.65,5.5,0.55,1,0.1,-4.5,-0.45,0,0,10.36511,1.03651,11.83726,1.47215,0.14722,4.18002,0.418,4.66632,0.4863,0.04863,0.24768,0.02477,0.41968,0.04197,0.230769231,31,0,0,0,0,0,0,0.8,0.961236605,2.419556299,3.565448372,3.719294526,3.719294526,3.719294526,24.99215172,62.90846376,92.70165767,96.70165767,96.70165767,96.70165767,0.204499294,0.514751054,0.75853507,0.791265232,0.791265232,0.791265232,3.739203113,2.28088342,1.134991346,0.981145192,0.981145192,0.981145192,0.199951246,0.50330303,0.741665309,0.773667554,0.773667554,0.773667554,6.796774065,20.61971472,22.62012536,22.77517536,22.77517536,22.77517536,38.70844392,20.64166597,18.18462585,17.66141363,17.66141363,17.66141363,6.694214876,1.777777778,0.7168,3,2,3,2.56,1.2574,0.814325285,2.94389819,4.112265279,1.310370697,1.650963624,5.018135372,2.381101578,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0.003,0.163,0.175,0.286,0.54,4.478,18,24,28,25,15,4,0,0,0,135,2.564949357,3.044522438,3.33220451,3.526360525,3.526360525,3.135494216,1.609437912,0,0,0,5.087596335,1.192592593,0.4,2,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,3,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.090909091,3,0.272727273,0,3,5,0.666666667,3.5,2.388888889,1.263888889,0.41,0,0,0,0,0,0,0.318181818,0.159259259,0.105324074,0.082,0,0,0,0,0,0,0.664765152,22.1481631,31.93888677,44.29632619,4.429632619,22.1481631,0.050788084,0.005078808,-2.98009352,124.7743424,12.47743424,4.826506845,0,154.1669289,4.321928095,4.077537444,5.003946306,5.96870756,6.930494766,7.899895323,8.867990898,9.838041953,10.80740201,11.77744894,92.1714652,3.135494216,1.945910149,4.553876892,4.262679877,6.22059017,6.447305863,8.003363059,8.526549286,9.84866171,10.25072309,136.1252005,5.235584635,19.57810361,1.957810361,0,0,0,107,12,4.222,58,1.263151459,2.204543449,3.059376267,3.746979255,4.418885071,5.717114638,6.366515976,0,0,0,95.44431658,119.3747944,112.6802898,70.01372151,45.28638454,33.30644044,6.468787689,0,0,0,332.2002716,448.7900696,499.7802384,415.9181029,326.8534702,385.1062019,197.8951555,0,0,0,9.24711996,15.85729087,21.84136135,26.29758111,30.41185985,39.39986848,42.77320839,0,0,0,2.422652867,3.440356403,4.109681942,3.829842719,3.343631966,4.200355042,2.830635162,0,0,0,177.4493217,329.7102021,467.7238293,605.5185222,760.7453351,978.3672171,1177.281186,0,0,0,2.658299186,3.866075718,5.476231148,5.99016271,6.339736597,9.649244566,6.366515976,0,0,0,0.498747696,0.715628053,0.865282639,0.822376877,0.732342275,0.926578143,0.651931236,0,0,0,335.3923738,162.253925,10.86829423,94.81768415,-45.87027796,-5.433054601,240.5746897,208.1242029,16.30134883,0.779601424,0.377150469,0.025262762,0.220398576,-0.106622979,-0.012628841,144.2891726,69.80327047,4.675649491,40.79152139,-19.73385494,-2.337354735,0.110483667,0.204983914,3.915488287,4.931547755,430.210058,0,1,0,718.6086422,26.80687677,8.957032402,875.0011711,29.58041871,9.564660181,1265.332869,35.57151767,10.81603947,1.292929866,1.246908355,566.9206676,545.0790284,194.8199732,1.040070592,2.909972003,2.797860093,4.253565967,4.347314109,7.620988462,0.753033775,5.022545704,9.481150743,2.553706334,15.79039885,10.33072032,19.52640021,11.90328816,10.43806007,4.655537324,6.303848879,3.983872236,2.415376889,0.491042987,0.254256377,5.77E-07,2.78E-34,2.58E-83,4.62E-154,1.59E-246,0,0,0,0,0,0,0,0,0,0,0,0.421518175,8.740578085,0.141927229,9.359756481,1.648496845,2.824239081,1.202440181,0.661324936,1.138742903,0.348873347,0.514829418,0.021621312,0.005443752,0.001790748,4.07E-09,1.96E-36,1.82E-85,3.25E-156,1.12E-248,0,0,0,0,0,0,0,0,0,0,0,1.360685984,8.790065063,0.50585038,10.40243297,2.860397255,5.341881311,2.74090113,2.26082503,1.397354187,1.235076395,1.01905923,0.189117991,0.041140387,0.01866098,4.24E-08,2.04E-35,1.89E-84,3.39E-155,1.17E-247,0,0,0,0,0,0,0,0,0,0,0,4.740874095,9.39984251,2.360645049,15.30121849,9.600975869,18.18847851,11.01972364,9.69939415,4.277777284,5.822781938,3.699375421,2.155231316,0.438877455,0.226537854,5.14E-07,2.48E-34,2.30E-83,4.11E-154,1.42E-246,0,0,0,0,0,0,0,0,0,0,0,2.005395242,8.854227127,0.793788632,11.19835284,3.858701431,7.334905674,3.988760775,3.476453861,1.711241015,1.94121321,1.42573213,0.399446346,0.084477061,0.040534141,9.20E-08,4.43E-35,4.11E-84,7.36E-155,2.54E-247,0,0,0,0,0,0,0,0,0,0,0,6.065448888,9.823040796,3.320089442,17.71004776,13.25770513,24.83826615,15.43413618,13.33212731,6.238678854,8.217308868,5.119127838,3.507564905,0.709664561,0.37080903,8.42E-07,4.05E-34,3.76E-83,6.73E-154,2.32E-246,0,0,0,0,0,0,0,0,0,0,0,3.20698397,6.755035237,1.15533308,12.00679062,5.333653685,9.999329013,6.491911208,5.680027074,2.595018788,3.244363649,3.119299348,0.868663353,0.181171379,0.087121757,1.98E-07,9.52E-35,8.84E-84,1.58E-154,5.46E-247,0,0,0,0,0,0,0,0,0,0,0,4.352971577,1.396163383,1.196979966,0.62667716,0.200999177,0.504839405,0.515234615,0.485636663,6.946114926,12.95905889,27.17977111,0.44001574,1.505710684,3.402480873,0.795798692,0.6353695,0.703915577,0.164637251,0.304082426,0.164373855,0.123968333,4.833649066,5.375148618,11.92918122,0.555873366,0.592424614,3.752391306,1.018882421,0.844480506,0.668190086,0.181432872,0.371637695,0.272007466,0.227574226,5.615754233,7.852493191,16.69690375,0.502285129,0.871219387,4.326466617,1.379631918,1.181580901,0.628145758,0.200304316,0.498495433,0.502987328,0.472074458,6.887679436,12.71114849,26.65160331,0.442218636,1.47355722,3.919511185,1.124490296,0.943345687,0.654632356,0.187811106,0.406497979,0.332393248,0.289059224,5.987347168,9.165689338,19.31078762,0.481948534,1.02795045,4.437054063,1.448545538,1.245740352,0.622190793,0.203123894,0.52525129,0.554992749,0.529981034,7.131339953,13.75920378,28.89725939,0.43328619,1.610225074,4.36791176,1.381398552,1.184798003,0.629916863,0.199217908,0.507502337,0.504384646,0.472765442,6.934108314,12.84559835,26.92857282,0.444875295,1.484652425 +UMLMON0207,L,4-methylene-1-(1-methylethyl)bicyclo3.1.0hexane,CC(C)C12CCC(=C)C1C2,18818,Sandia Ron value was from the biocompoundML source for which I could not find the orginal source so I think we should use the co-optima database values which were measured by LBL,Sandia,,C10H16,UML,,59,0,0.8598,0.73925604,31.9446,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1128.97815,1018.072781,708.378555,335.100697,76.792464,6.096384,0,3399.790734,4147.41404,5230.324054,5316.034085,4332.778282,2682.588164,1071.022993,186.5024666,0,146.842108,144.889944,255.179544,322.340468,313.179564,248.275108,143.083584,40.310784,0,25.74688067,32.32302034,44.11934665,47.55905142,41.08800151,27.71539134,12.68152803,2.667677429,0,3476.407621,2904.481805,5640.598507,7484.308114,7479.227263,6153.780717,3724.295171,1109.505912,0,41.27777778,45.91666667,63,77.5,75.5,56,29,6,0,48.76541633,51.7541979,31.36050417,22.13201698,15.74174567,9.308352694,3.656784,1.016064,0,161.8947969,207.370702,145.2867793,115.5659584,96.28396182,74.51633789,51.00109489,31.08374443,0,6.992481333,7.2444972,7.088320667,7.007401478,6.959545867,6.896530778,6.813504,6.718464,0,1.226041937,1.616151017,1.225537407,1.033892422,0.9130667,0.769871982,0.603882287,0.444612905,0,165.54322,145.2240902,156.6832919,162.7023503,166.2050503,170.9383532,177.3473891,184.917652,0,1.965608466,2.295833333,1.75,1.684782609,1.677777778,1.555555556,1.380952381,1,0,0.048131092,-0.010602567,-0.012435989,-4.49E-04,-0.007546503,-7.46E-04,3.82E-04,0.007332135,0,564.9747087,-53.80711511,-121.066009,-107.6142302,-121.066009,-40.35533633,80.71067267,80.71067267,0,1050.594596,-100.0566282,-225.1274134,-200.1132564,-225.1274134,-75.04247115,150.0849423,150.0849423,0,0.110674667,-0.010540444,-0.023716,-0.021080889,-0.023716,-0.007905333,0.015810667,0.015810667,0,4.696646663,-0.447299682,-1.006424285,-0.894599364,-1.006424285,-0.335474762,0.670949523,0.670949523,0,25.51225921,-2.429738973,-5.466912688,-4.859477945,-5.466912688,-1.822304229,3.644608459,3.644608459,0,5.701058201,-1.333018393,-0.529856387,0.324137062,-1.200680272,-0.154195011,-0.502645503,0.545729403,0,0.002291957,-5.30E-04,-3.45E-04,-9.75E-06,-1.68E-04,-2.07E-05,1.82E-05,0.001222022,0,26.90355756,-2.690355756,-3.362944694,-2.339439787,-2.690355756,-1.120981565,3.843365365,13.45177878,0,50.0283141,-5.00283141,-6.253539262,-4.350288182,-5.00283141,-2.084513087,7.146902014,25.01415705,0,0.005270222,-5.27E-04,-6.59E-04,-4.58E-04,-5.27E-04,-2.20E-04,7.53E-04,0.002635111,0,0.223649841,-0.022364984,-0.02795623,-0.019447812,-0.022364984,-0.009318743,0.031949977,0.111824921,0,1.214869486,-0.121486949,-0.151858686,-0.105640825,-0.121486949,-0.050619562,0.173552784,0.607434743,0,0.271478962,-0.06665092,-0.014718233,0.007046458,-0.026681784,-0.004283195,-0.0239355,0.0909549,0,-0.231299463,-0.150720182,-0.004255023,-0.073168948,-0.009041262,0.007936333,0.53317866,0,-0.1,-0.125,-0.086956522,-0.1,-0.041666667,0.142857143,0.5,0,-0.1,-0.125,-0.086956522,-0.1,-0.041666667,0.142857143,0.5,0,-0.1,-0.125,-0.086956522,-0.1,-0.041666667,0.142857143,0.5,0,-0.1,-0.125,-0.086956522,-0.1,-0.041666667,0.142857143,0.5,0,-0.1,-0.125,-0.086956522,-0.1,-0.041666667,0.142857143,0.5,0,-0.245510441,-0.054215004,0.025955816,-0.098283063,-0.015777262,-0.088167053,0.335034803,0,1.527324971,1.066307383,0.918191491,1.036347701,0.947611325,0.80679229,0.189555645,0,1.5,1.25,1.071428571,1,0.833333333,0.510204082,0,0,1.5,1.25,1.071428571,1,0.833333333,0.510204082,0,0,1.5,1.25,1.071428571,1,0.833333333,0.510204082,0,0,1.5,1.25,1.071428571,1,0.833333333,0.510204082,0,0,1.5,1.25,1.071428571,1,0.833333333,0.510204082,0,0,1.603016241,0.790409899,0.786996873,1.211600928,0.950116009,1.16937355,0,0,27.83126049,13.91563025,21.43129384,27.83126049,3.975894356,13.91563292,-3.55E-15,0.134696783,0.019242398,-1.403310356,23.28237909,3.326054155,2.203387769,27.83126049,13.91563025,21.43129384,27.83126049,3.975894356,13.91563292,-3.55E-15,0.134696783,0.019242398,-1.403310356,23.28237909,3.326054155,2.203387769,27.83126049,13.91563025,21.43129384,27.83126049,3.975894356,13.91563292,-3.55E-15,0.134696783,0.019242398,-1.403310356,23.28237909,3.326054155,2.203387769,27.83126049,13.91563025,21.43129384,27.83126049,3.975894356,13.91563292,-3.55E-15,0.134696783,0.019242398,-1.403310356,23.28237909,3.326054155,2.203387769,27.83126049,13.91563025,21.43129384,27.83126049,3.975894356,13.91563292,-3.55E-15,0.134696783,0.019242398,-1.403310356,23.28237909,3.326054155,2.203387769,27.83126049,13.91563025,21.43129384,27.83126049,3.975894356,13.91563292,-3.55E-15,0.134696783,0.019242398,-1.403310356,23.28237909,3.326054155,2.203387769,40.88940366,20.2145431,32.16530892,40.56060548,5.794372211,20.21454311,-0.46031746,0.169135939,0.024162277,-1.243936759,20.77952125,2.968503036,2.123777563,0,11.79,12.21004853,-0.30544249,0.114856658,5.22667869,8.125129195,6,20,19,19,5,1,1,0,0,1,15.304898,3.533636467,3.092390319,2.68208376,2.231649055,1.557727426,1.231631211,0.789750256,0.083923071,1.90553437,1.627625826,1.360052186,1.134580729,0.701577853,0.518886035,0.283150003,0.083923071,3.557702919,3.128894544,2.730387772,2.30146987,1.649460191,1.341605858,0.924474843,0.270913902,1.849188444,1.550969954,1.267702716,1.020098892,0.562370719,0.369760717,0.117507241,0.270913902,3.665286663,3.289431031,2.940082921,2.594072844,2.029169041,1.782217389,1.448763528,0.943918427,1.687106866,1.321363101,0.981096218,0.649350969,0.099745512,0.138195153,0.458873082,0.943918427,3.575527102,3.155809708,2.765888129,2.352208803,1.715927386,1.420388097,1.019985099,0.399277246,1.813622669,1.501752734,1.207533025,0.944318332,0.469310062,0.269232934,0.00502385,0.399277246,3.718715265,3.367201896,3.039499665,2.727035072,2.198229229,1.971825687,1.667797982,1.207644823,1.637755667,1.24881926,0.887553946,0.522365357,0.062980981,0.322707365,0.674014848,1.207644823,3.603533062,3.211454519,2.883559706,2.370333171,1.761002715,1.491813747,1.094021954,0.525,1.873904224,1.458876043,1.01897622,0.895898619,0.411710299,0.17925034,0.097896871,0.525,0,0,1,1,0,2,2,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.23570226,0,0,0,0.49279928,0.40824829,0.204124145,0.333333333,0.284517797,0.11785113,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.276020882,2.934286965,2.001661279,1.146385863,0.573192931,0.11785113,0,0,0.753717269,0.489047827,0.333610213,0.229277173,0.19106431,0.11785113,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,5,1,0,2,0,0,0,0,0,0,0,0,2,1,2,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.682685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374027778,0.306319444,0,0,1.219652778,0.290277778,0,0.680347222,0,0,0,0,0,0,0,0,4.385416667,3.679212963,2.552268519,0,2.003472222,0,0.712962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374027778,0.306319444,0,0,0.216944444,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.190972222,3.679212963,1.271018519,0,2.003472222,0,0.712962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.679212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374027778,0.306319444,0,0,0.290277778,0.290277778,0,0.374027778,0,0,0,0,0,0,0,0,2.194444444,3.679212963,1.28125,0,2.003472222,0,0.712962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.904761905,0.374027778,3.679212963,0.216944444,0.712962963,5.15866463,0.62037037,0.679212963,2.136203704,0.62037037,0.679212963,2.136203704,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.74178,0.82025,7.07892,1.33713,0.19102,2.77005,0.39572,3.30805,0.53801,0.07686,0.10595,0.01514,0.10595,0.01514,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.163334789,3.177566232,3.653756708,3.653756708,3.140202668,19.28421252,45.43003057,66.72889087,76.72889087,76.72889087,65.94425603,0.209068641,0.492526969,0.723437294,0.831851698,0.831851698,0.714930722,3.474021589,2.228982634,1.214751191,0.738560714,0.738560714,1.252114755,0.209068641,0.492526969,0.723437294,0.831851698,0.831851698,0.714930722,6.73287657,16.18022255,19.296138,19.77605468,19.77605468,13.6134062,27.64912502,18.09706317,14.77014725,13.54772211,13.54772211,12.40486497,7,4.166666667,3.84,7,2,6,2.23,1.0519,0.766309432,4.112265279,1.650963624,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.126,0.12,0.128,0.152,2.932,6,5,3,1,0,0,0,0,0,28,2.079441542,2.079441542,2.079441542,1.609437912,1.098612289,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,0,126.9918924,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,98.10955045,4.671883355,12.66537523,1.809339318,0,0,0,50,5,3.892,24,1.2236,2.129849001,2.895625649,3.569719619,4.419350313,5.560370242,7.169405074,0,0,0,73.7959167,75.26995215,72.85490371,68.21971065,50.81736701,23.25818232,7.284574397,0,0,0,278.2003652,333.5005906,358.6400627,380.7649369,368.2132674,305.6472975,222.851955,0,0,0,8.897867644,15.1509838,20.34101764,24.9385429,30.61171206,37.99088011,48.16738989,0,0,0,2.110244062,2.756613143,3.137102336,3.493830493,3.67403286,3.534230818,3.187610016,0,0,0,175.6104775,329.8422779,467.5764916,586.3186717,745.1653586,977.7316109,1325.749553,0,0,0,2.872154167,3.858580819,5.026270464,6.273238392,7.36309659,8.088876034,7.169405074,0,0,0,0.43759575,0.581209576,0.668673626,0.750757309,0.800299399,0.787840394,0.73414708,0,0,0,359.4169182,159.411584,10.92647815,159.3188683,-70.66243094,-10.77449136,200.0980499,230.074015,21.70096952,0.692870875,0.307307859,0.021063668,0.307129125,-0.136220467,-0.020770673,186.4424178,82.69249343,5.667955239,82.64439845,-36.65513169,-5.589114252,0.128285824,0.230821994,2.647802868,5.12488256,518.7357865,0,1,0,393.1393776,19.82774263,7.32569526,529.3948196,23.00858143,8.089590956,620.0614972,24.90103406,8.527300903,1.761359356,1.575262244,465.750279,418.1346771,77.29811879,1.113876233,6.025376637,5.409377145,3.976832457,4.466158665,7.71775273,0.728051623,4.149594424,4.863382706,3.183260065,17.26893599,8.155932472,5.486667827,8.309032289,10.16209314,5.346876846,1.932206216,2.1834545,1.59825382,1.550431541,0.017449186,6.94E-04,5.32E-27,7.87E-72,2.25E-138,1.24E-226,0,0,0,0,0,0,0,0,0,0,0,0.348257413,4.863167048,0.198039551,6.041555086,1.633700838,0.253605973,0.617079535,0.334902914,1.766151713,0.046764703,0.104756216,0.085980945,0.074062434,1.23E-04,4.89E-06,3.75E-29,5.55E-74,1.58E-140,8.71E-229,0,0,0,0,0,0,0,0,0,0,0,1.124191339,4.863181938,0.684833967,7.323420705,2.096456708,0.947824191,1.902551606,1.365484795,2.289216274,0.226997223,0.364997808,0.309023168,0.276018499,0.001280673,5.09E-05,3.91E-28,5.78E-73,1.65E-139,9.07E-228,0,0,0,0,0,0,0,0,0,0,0,3.916879296,4.863359198,2.957151907,16.22434091,7.449374599,5.03400842,7.737447512,9.215430542,5.054141298,1.744390835,1.998157303,1.475375226,1.424884026,0.015546911,6.18E-04,4.74E-27,7.01E-72,2.00E-138,1.10E-226,0,0,0,0,0,0,0,0,0,0,0,1.656845653,4.863200809,1.055391516,8.503236191,2.672020713,1.535420077,2.869497297,2.362550676,2.709995036,0.411478979,0.59235981,0.487564409,0.444169621,0.002781791,1.11E-04,8.48E-28,1.26E-72,3.58E-139,1.97E-227,0,0,0,0,0,0,0,0,0,0,0,5.011233796,4.863481445,4.06966326,21.54224652,11.12088199,7.312873029,10.53967818,14.05893591,6.514228204,2.709795445,2.935427564,2.087619428,2.055204989,0.025447997,0.001011965,7.76E-27,1.15E-71,3.28E-138,1.80E-226,0,0,0,0,0,0,0,0,0,0,0,2.28124299,3.442884192,1.443137631,9.076984589,3.997385781,2.333470519,4.533124506,3.24652228,3.6141716,0.65143317,0.989993392,0.708069788,0.698334073,0.004809434,1.91E-04,1.47E-27,2.17E-72,6.19E-139,3.41E-227,0,0,0,0,0,0,0,0,0,0,0,4.89053108,1.163479344,0.510589742,0.744985369,0.177235371,0.48982378,0.464339462,0.39911111,6.564600167,8.781147516,18.2510196,0.617478054,1.353274351,4.142425623,0.640573203,0.151605285,0.839464632,0.129812481,0.34990716,0.138892202,0.034441153,4.93460411,3.378654747,8.715547551,0.759196948,0.523240515,4.438209075,0.848600169,0.295176392,0.795095037,0.152024786,0.402147999,0.245129752,0.132297765,5.581985636,5.326806249,12.02050439,0.692642555,0.779575516,4.871879727,1.150578579,0.501787751,0.746734517,0.176354259,0.486019455,0.453985047,0.385401749,6.524246057,8.62747626,17.96448374,0.620101775,1.325406251,4.570635672,0.941215905,0.358698651,0.778570235,0.160328396,0.426832963,0.302317403,0.196042254,5.870550228,6.279048716,13.6927044,0.667855353,0.92519262,4.948963468,1.203848773,0.538125869,0.739651658,0.17992227,0.501848619,0.497491197,0.443536311,6.69093811,9.268791035,19.16577739,0.609477487,1.442876127,4.905808636,1.151022631,0.501052249,0.748078038,0.175517395,0.492672262,0.454117484,0.384073008,6.557883516,8.681485693,18.06865932,0.622117057,1.330862754 +UMLMON0208,L,3-Methyl-1-Hexene,CCCC(C)C=C,18848,,"Sandia, UML",[1],C7H14,PubChem,,71.5,0,1.0506,1.10376036,31.7748,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1238.953135,1191.545718,659.955074,167.724144,15.24096,0,0,3399.790734,4147.41404,5371.798596,5866.174625,4796.070567,2318.950091,466.2561665,0,0,146.842108,144.889944,254.804092,304.204632,355.86164,306.721728,100.77696,0,0,25.74688067,32.32302034,44.45683953,50.57629401,46.76284309,27.36582617,6.669193573,0,0,3476.407621,2904.481805,5677.860524,6776.046549,8392.495636,7971.548194,2773.76478,0,0,41.80555556,46.55555556,63.83333333,83.33333333,89.5,59,15,0,0,48.76541633,51.7541979,34.41536486,27.71036553,12.94029557,3.7272032,1.016064,0,0,161.8947969,207.370702,149.2166277,136.4226657,94.04059935,51.53222424,31.08374443,0,0,6.992481333,7.2444972,7.077891444,7.074526326,6.977679216,6.8160384,6.718464,0,0,1.226041937,1.616151017,1.234912209,1.176192884,0.916918492,0.608129471,0.444612905,0,0,165.54322,145.2240902,157.7183479,157.5824779,164.558738,177.1455154,184.917652,0,0,1.990740741,2.327777778,1.773148148,1.937984496,1.754901961,1.311111111,1,0,0,0.042207653,-0.007738682,-0.001139866,-0.010007234,-0.021523129,0.006253881,0.013051204,0,0,564.9747087,-53.80711511,40.35533633,-228.6802392,-403.5533633,161.4213453,201.7766817,0,0,1050.594596,-100.0566282,75.04247115,-425.2406698,-750.4247115,300.1698846,375.2123557,0,0,0.110674667,-0.010540444,0.007905333,-0.044796889,-0.079053333,0.031621333,0.039526667,0,0,4.696646663,-0.447299682,0.335474762,-1.901023649,-3.354747616,1.341899046,1.677373808,0,0,25.51225921,-2.429738973,1.822304229,-10.32639063,-18.22304229,7.289216918,9.111521147,0,0,5.793650794,-2.083900227,1.163265306,-0.289115646,-3.102040816,-0.022108844,1.43707483,0,0,0.002009888,-3.87E-04,-3.17E-05,-2.33E-04,-4.22E-04,1.39E-04,8.70E-04,0,0,26.90355756,-2.690355756,1.120981565,-5.318145098,-7.912811046,3.587141007,13.45177878,0,0,50.0283141,-5.00283141,2.084513087,-9.889317903,-14.71421003,6.67044188,25.01415705,0,0,0.005270222,-5.27E-04,2.20E-04,-0.001041788,-0.001550065,7.03E-04,0.002635111,0,0,0.223649841,-0.022364984,0.009318743,-0.044209852,-0.065779365,0.029819979,0.111824921,0,0,1.214869486,-0.121486949,0.050619562,-0.240148619,-0.357314555,0.161982598,0.607434743,0,0,0.275888133,-0.104195011,0.032312925,-0.00672362,-0.06082433,-4.91E-04,0.095804989,0,0,-0.19251524,-0.015753582,-0.115790704,-0.209972935,0.069145699,0.432899816,0,0,-0.1,0.041666667,-0.197674419,-0.294117647,0.133333333,0.5,0,0,-0.1,0.041666667,-0.197674419,-0.294117647,0.133333333,0.5,0,0,-0.1,0.041666667,-0.197674419,-0.294117647,0.133333333,0.5,0,0,-0.1,0.041666667,-0.197674419,-0.294117647,0.133333333,0.5,0,0,-0.1,0.041666667,-0.197674419,-0.294117647,0.133333333,0.5,0,0,-0.377671233,0.117123288,-0.024370819,-0.220467365,-0.001780822,0.347260274,0,0,1.504574766,0.994312765,1.182851517,1.243718688,0.632473017,0.09064607,0,0,1.5,1.071428571,1.295681063,1.218487395,0.523809524,0,0,0,1.5,1.071428571,1.295681063,1.218487395,0.523809524,0,0,0,1.5,1.071428571,1.295681063,1.218487395,0.523809524,0,0,0,1.5,1.071428571,1.295681063,1.218487395,0.523809524,0,0,0,1.5,1.071428571,1.295681063,1.218487395,0.523809524,0,0,0,1.754794521,0.588660578,1.18302007,1.339645447,0.767123288,0,0,0,25.51627403,12.75813701,18.84020815,25.51627403,3.645182004,12.75814516,1.78E-15,0.117122538,0.016731791,-1.501174194,41.0703189,5.867188414,2.600699985,25.51627403,12.75813701,18.84020815,25.51627403,3.645182004,12.75814516,1.78E-15,0.117122538,0.016731791,-1.501174194,41.0703189,5.867188414,2.600699985,25.51627403,12.75813701,18.84020815,25.51627403,3.645182004,12.75814516,1.78E-15,0.117122538,0.016731791,-1.501174194,41.0703189,5.867188414,2.600699985,25.51627403,12.75813701,18.84020815,25.51627403,3.645182004,12.75814516,1.78E-15,0.117122538,0.016731791,-1.501174194,41.0703189,5.867188414,2.600699985,25.51627403,12.75813701,18.84020815,25.51627403,3.645182004,12.75814516,1.78E-15,0.117122538,0.016731791,-1.501174194,41.0703189,5.867188414,2.600699985,25.51627403,12.75813701,18.84020815,25.51627403,3.645182004,12.75814516,1.78E-15,0.117122538,0.016731791,-1.501174194,41.0703189,5.867188414,2.600699985,37.83889638,18.70694819,28.66022708,37.53532495,5.362189278,18.70694821,-0.425,0.171357361,0.024479623,-1.23480285,104.0980491,14.87114987,3.251733264,0,11.89,12.11009426,-0.171570337,0.051003778,5.486556047,8.451504808,6,20,19,19,5,1,1,0,0,1,15.304898,3.576335142,3.024514659,2.623510758,2.226480312,1.827316197,1.198562597,0.376897208,0.083923071,1.911604203,1.584999584,1.394094114,1.116295809,0.882110178,0.460974563,0.083923071,0.083923071,3.597027661,3.062686366,2.680649249,2.295550517,1.911738537,1.304008844,0.498807424,0.270913902,1.858845362,1.50497306,1.292437336,1.003816273,0.752654428,0.312258728,0.270913902,0.270913902,3.69131,3.230950858,2.924242163,2.584478346,2.260431622,1.731715593,0.960747079,0.943918427,1.710781659,1.264450049,0.971091686,0.638971348,0.325314392,0.190244033,0.943918427,0.943918427,3.61244737,3.090860477,2.722390897,2.345712589,1.972815967,1.37989057,0.584626147,0.399277246,1.825865463,1.453503991,1.225759128,0.929322047,0.666352851,0.212277063,0.399277246,0.399277246,3.739190402,3.312531529,3.037398407,2.715506858,2.415963933,1.917978701,1.207644823,1.207644823,1.666908145,1.188349523,0.863875172,0.51374779,0.175789856,0.370830383,1.145139211,1.207644823,3.622710018,3.136509311,2.769757733,2.533340388,1.988998355,1.388498804,0.623784667,0.518518519,1.877504931,1.392158348,1.160691916,0.748144737,0.605151601,0.168836631,0.518518519,0.518518519,0,0,1,0,1,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.40824829,0,0.144337567,0,1.276142375,0.707106781,0.23570226,0.90104757,0.49279928,0.144337567,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,5.491563832,2.834933866,2.155648531,1.453633428,0.348461713,0,0,0,0.784509119,0.472488978,0.30794979,0.242272238,0.174230856,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,3,1,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.119861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.353194444,0,0,0,1.002708333,0.580555556,0,0.353194444,0,0,0,0,0,0,0,0,6.454212963,3.82587963,1.217592593,0,0,0,0.708333333,0,0,1.293981481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.293981481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.353194444,0,0,0,0.225625,0.290277778,0,0.353194444,0,0,0,0,0,0,0,0,2.077546296,3.82587963,1.217592593,0,0,0,0.708333333,0,0,1.293981481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.82587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.353194444,0,0,0,0.290277778,0.290277778,0,0.353194444,0,0,0,0,0,0,0,0,2.196759259,3.82587963,1.217592593,0,0,0,0.708333333,0,0,1.293981481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.5,1.928571429,0.353194444,3.82587963,0.053819444,0.708333333,4.71031963,0.625,0.82587963,2.560185185,0.625,0.82587963,2.560185185,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0.28571,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.19858,0.88551,7.55695,1.35837,0.19405,2.65631,0.37947,3.18073,0.52442,0.07492,0.23327,0.03332,0.23327,0.03332,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.153291232,3.236857303,3.522571589,3.313413617,2.476781727,19.28421252,45.21911587,67.97400337,73.97400337,69.58168595,52.01241626,0.209068641,0.49024035,0.736936107,0.80198475,0.754365702,0.563889512,3.474021589,2.239026191,1.155460119,0.869745834,1.078903806,1.915535696,0.209068641,0.49024035,0.736936107,0.80198475,0.754365702,0.563889512,6.73287657,17.21697421,19.35589302,19.64384303,17.13394736,9.393465712,27.64912502,16.33397711,14.58757905,13.89556055,12.64061271,8.666611233,7,3.06122449,2.666666667,7,2,5,2.23,1.0519,1.944161297,1.941967087,4.930998067,0,0,1.414213562,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.108,0.104,0.16,2.909,7,6,2,0,0,0,0,0,0,28,2.079441542,2.302585093,2.197224577,1.386294361,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,2,1.111111111,0.25,0,0,0,0,0,0,0,0.333333333,0.158730159,0.041666667,0,0,0,0,0,0,0,0.533730159,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,0,126.9918924,3.807354922,3.295836866,3.970291914,4.691347882,5.398162702,6.120297419,6.834108739,7.556427969,8.272059622,8.994296558,68.13282967,2.564949357,0,3.713572067,0,5.056245805,0,6.463029457,0,7.890956716,8.168486417,98.10955045,4.671883355,12.50524286,1.786463266,0,0,0,46,6,3.385,26,1.2229,2.118136922,2.946324812,3.58173391,4.129346361,5.488026661,0,0,0,0,73.6156376,83.32655336,88.96345481,52.48738492,17.9514212,5.576186321,0,0,0,0,277.7186352,345.4274624,422.7224234,354.6547899,232.1067643,170.5884182,0,0,0,0,8.892335553,15.05679023,20.89042001,25.03377489,28.23793652,36.87110955,0,0,0,0,2.107286619,2.793656505,3.591862799,3.393853852,2.665608797,2.440047476,0,0,0,0,175.5375183,329.4308919,460.9480308,586.3976925,724.1548729,1014.833004,0,0,0,0,2.90705,3.938085829,5.865091075,6.411883499,5.683300326,5.488026661,0,0,0,0,0.4370085,0.587139672,0.76088883,0.733290341,0.593504689,0.56197393,0,0,0,0,354.5279456,147.7386067,10.51143688,148.6263268,-61.93544601,-9.570208684,205.9016188,209.6740527,20.08164556,0.704610822,0.293624868,0.020891081,0.295389178,-0.123094346,-0.019020426,178.3822505,74.33531113,5.288874373,74.78197131,-31.16308427,-4.815291387,0.128240185,0.238663013,4.039796235,5.479109846,503.1542724,0,1,0,395.3145785,19.88251942,7.339181199,531.3577082,23.05119754,8.099576812,655.5834736,25.60436435,8.687123567,1.310033407,1.307020727,363.2903902,286.2986263,116.8443387,1.268921178,3.109182648,2.450256723,3.837464732,3.477616438,6.454645435,0.856054442,4.067936095,4.914017717,5.046726241,15.95109288,4.110236884,7.7818954,9.118503607,8.871124823,4.024302094,1.65651714,0.11409806,1.628283808,2.42E-13,6.96E-48,3.86E-104,4.12E-182,8.49E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0.341404395,4.913792679,0.206103661,6.783699482,1.578332741,1.370271767,0.661811076,0.368368444,0.951360007,0.023760617,8.35E-04,0.011468136,1.71E-15,4.90E-50,2.72E-106,2.90E-184,5.98E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,1.102068962,4.91380822,0.808600607,8.03905114,1.768872405,2.328299734,1.936337604,1.435566766,1.279082203,0.152649862,0.008454788,0.119506819,1.78E-14,5.11E-49,2.83E-105,3.02E-183,6.23E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,3.839800494,4.913993188,4.613982311,15.1719835,3.839809904,7.265306885,8.441006938,8.114135974,3.730214708,1.48425413,0.101680928,1.450771558,2.16E-13,6.20E-48,3.44E-104,3.67E-182,7.57E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,1.62424134,4.913827913,1.33668176,9.083686763,1.996549995,3.090092256,2.945368711,2.366625425,1.592990111,0.301816258,0.018287696,0.25958478,3.87E-14,1.11E-48,6.15E-105,6.57E-183,1.35E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,4.912619538,4.914120747,6.803859279,19.08317982,5.242563397,9.835466303,11.80839157,11.94239206,5.233489563,2.376428498,0.166298926,2.374698905,3.54E-13,1.02E-47,5.63E-104,6.01E-182,1.24E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,2.256336612,3.541780767,1.717339383,9.627696366,2.399513549,4.515568049,4.138438764,3.208968798,2.033172262,0.487666942,0.030786331,0.437782752,6.52E-14,1.87E-48,1.04E-104,1.11E-182,2.28E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,3.593986084,1.574079429,0.55786763,0.627668189,0.274903564,0.509271799,0.466133779,0.490385621,5.725933143,8.540316024,17.42222884,0.441502283,1.465791198,2.725995987,0.994293221,0.203284097,0.694773813,0.253415227,0.295975077,0.194110348,0.066078986,3.923573306,3.466714964,7.941277482,0.54216072,0.55616441,3.069734045,1.22544697,0.344231116,0.661664443,0.264138416,0.373414918,0.289615199,0.188347492,4.639412131,5.240331237,11.1746707,0.492496665,0.851377609,3.572404659,1.559807697,0.549099436,0.628799261,0.274550624,0.50325302,0.458159021,0.47525386,5.681311792,8.390359194,17.13139816,0.443198892,1.436665901,3.223403911,1.328085603,0.407001445,0.650077602,0.267840683,0.411006909,0.33758672,0.262607534,4.958490959,6.133419135,12.8342655,0.475116403,1.011201163,3.661577454,1.618737277,0.58531595,0.624242755,0.27596986,0.528359898,0.491495071,0.539257885,5.865630681,9.01778435,18.35265988,0.436364132,1.559112854,3.576641443,1.567558688,0.548685894,0.628265071,0.275353956,0.504793476,0.464352251,0.473761094,5.692886025,8.429145417,17.19829123,0.442397607,1.442906821 +UMLMON0209,L,"2,3-Dimethyl-1-Pentene",CCC(C)C(=C)C,18851,,"Sandia, UML",[1],C7H14,PubChem,,84.2,0,1.9286,3.71949796,34.1224,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1371.110168,1261.140054,536.942617,98.129808,6.096384,0,0,3399.790734,4147.41404,5680.578881,6461.34309,4767.043981,1723.781626,186.5024666,0,0,146.842108,144.889944,255.226976,326.755032,415.904932,284.171328,40.310784,0,0,25.74688067,32.32302034,46.13219522,55.92372116,49.08900354,22.01839903,2.667677429,0,0,3476.407621,2904.481805,5651.532332,7140.02888,10083.0827,7607.565863,1109.505912,0,0,42.8125,47.375,65,93.25,102,50,6,0,0,48.76541633,51.7541979,38.08639356,27.41608813,8.949043617,2.336424,1.016064,0,0,161.8947969,207.370702,157.7938578,140.4639802,79.45073302,41.04241966,31.08374443,0,0,6.992481333,7.2444972,7.089638222,7.103370261,6.931748867,6.765984,6.718464,0,0,1.226041937,1.616151017,1.281449867,1.215733069,0.818150059,0.524247596,0.444612905,0,0,165.54322,145.2240902,156.9870092,155.2180191,168.0513783,181.1325206,184.917652,0,0,2.038690476,2.36875,1.805555556,2.027173913,1.7,1.19047619,1,0,0,0.046161903,-0.014766169,0.007523544,-0.010980377,-0.033035299,0.020835848,0.007341501,0,0,564.9747087,-53.80711511,121.066009,-430.4569209,-363.198027,363.198027,80.71067267,0,0,1050.594596,-100.0566282,225.1274134,-800.4530256,-675.3822403,675.3822403,150.0849423,0,0,0.110674667,-0.010540444,0.023716,-0.084323556,-0.071148,0.071148,0.015810667,0,0,4.696646663,-0.447299682,1.006424285,-3.578397457,-3.019272855,3.019272855,0.670949523,0,0,25.51225921,-2.429738973,5.466912688,-19.43791178,-16.40073807,16.40073807,3.644608459,0,0,6.142857143,-2.272959184,1.335459184,0.136479592,-4.658163265,1.767857143,0.619897959,0,0,0.002198186,-7.38E-04,2.09E-04,-2.39E-04,-5.51E-04,4.96E-04,0.001223583,0,0,26.90355756,-2.690355756,3.362944694,-9.35775915,-6.05330045,8.647572071,13.45177878,0,0,50.0283141,-5.00283141,6.253539262,-17.40115273,-11.25637067,16.08052953,25.01415705,0,0,0.005270222,-5.27E-04,6.59E-04,-0.001833121,-0.0011858,0.001694,0.002635111,0,0,0.223649841,-0.022364984,0.02795623,-0.077791249,-0.050321214,0.071887449,0.111824921,0,0,1.214869486,-0.121486949,0.151858686,-0.4225633,-0.273345634,0.390493763,0.607434743,0,0,0.292517007,-0.113647959,0.037096088,0.002966948,-0.077636054,0.042091837,0.103316327,0,0,-0.335871699,0.095072639,-0.108591297,-0.250473956,0.22568229,0.556633305,0,0,-0.1,0.125,-0.347826087,-0.225,0.321428571,0.5,0,0,-0.1,0.125,-0.347826087,-0.225,0.321428571,0.5,0,0,-0.1,0.125,-0.347826087,-0.225,0.321428571,0.5,0,0,-0.1,0.125,-0.347826087,-0.225,0.321428571,0.5,0,0,-0.1,0.125,-0.347826087,-0.225,0.321428571,0.5,0,0,-0.388517442,0.12681686,0.010142821,-0.265406977,0.143895349,0.353197674,0,0,1.62814691,0.769096187,1.191883164,1.232718218,0.470842204,0.197417978,0,0,1.5,1.011904762,1.49068323,1.071428571,0.255102041,0,0,0,1.5,1.011904762,1.49068323,1.071428571,0.255102041,0,0,0,1.5,1.011904762,1.49068323,1.071428571,0.255102041,0,0,0,1.5,1.011904762,1.49068323,1.071428571,0.255102041,0,0,0,1.5,1.011904762,1.49068323,1.071428571,0.255102041,0,0,0,1.75,0.618943798,0.931180485,1.451550388,0.542635659,0,0,0,24.24774385,12.12387192,17.0896389,24.24774385,3.463963407,12.12388698,-1.07E-14,0.123236486,0.017605212,-1.465555085,44.05638104,6.29376872,2.649829141,24.24774385,12.12387192,17.0896389,24.24774385,3.463963407,12.12388698,-1.07E-14,0.123236486,0.017605212,-1.465555085,44.05638104,6.29376872,2.649829141,24.24774385,12.12387192,17.0896389,24.24774385,3.463963407,12.12388698,-1.07E-14,0.123236486,0.017605212,-1.465555085,44.05638104,6.29376872,2.649829141,24.24774385,12.12387192,17.0896389,24.24774385,3.463963407,12.12388698,-1.07E-14,0.123236486,0.017605212,-1.465555085,44.05638104,6.29376872,2.649829141,24.24774385,12.12387192,17.0896389,24.24774385,3.463963407,12.12388698,-1.07E-14,0.123236486,0.017605212,-1.465555085,44.05638104,6.29376872,2.649829141,24.24774385,12.12387192,17.0896389,24.24774385,3.463963407,12.12388698,-1.07E-14,0.123236486,0.017605212,-1.465555085,44.05638104,6.29376872,2.649829141,38.25689438,18.89630433,27.47263607,37.92526172,5.417894532,18.89630435,-0.464285714,0.185875667,0.026553667,-1.177874099,25.01253362,3.573219088,2.253563931,0,11.79,12.21004853,-0.303952071,0.116441427,5.604899281,9.068252625,6,20,19,19,5,1,1,0,0,1,15.304898,3.594808518,2.924365705,2.681063553,2.333552793,1.729949961,1.196484347,0.389351363,0.083923071,1.925649086,1.519127486,1.376090759,1.249629723,0.829673767,0.445866997,0.083923071,0.083923071,3.615348041,2.964113348,2.732747447,2.405454588,1.81888028,1.298703314,0.509286361,0.270913902,1.873750435,1.433197023,1.28469833,1.134540686,0.696046594,0.296816899,0.270913902,0.270913902,3.708659973,3.140931253,2.95291192,2.704236987,2.184608937,1.718422297,0.961632092,0.943918427,1.727884974,1.176413492,0.995208572,0.76031856,0.252348167,0.204280867,0.943918427,0.943918427,3.630638274,2.993542207,2.770496013,2.457539916,1.883135558,1.372604289,0.593527419,0.399277246,1.841295561,1.378015174,1.224719456,1.058262671,0.606771423,0.196755918,0.399277246,0.399277246,3.755911509,3.22748253,3.055034817,2.838982085,2.346819753,1.903191427,1.207644823,1.207644823,1.684547262,1.095934025,0.898384339,0.631337262,0.09608908,0.382853602,1.141885182,1.207644823,3.614818061,3.121531281,2.828373512,2.514291495,1.887824891,1.479397162,0.549579979,0.509090909,1.911982192,1.324246326,1.056913759,0.987018768,0.572015797,0.089094084,0.509090909,0.509090909,0,0,1,1,0,3,1,0,1,0,0,0,0,0,0,0,0,0,0,1.207106781,0.25,0,0,1.050476816,0.204124145,0,0,1.707106781,1,0,1.254600961,0.637136847,0,5.914213562,3.121320344,2.871320344,1.914213562,0.25,0,0,0,0.844887652,0.520220057,0.358915043,0.319035594,0.25,0,0,0,5.491563832,2.757583597,2.546258731,1.463816784,0.144337567,0,0,0,0.784509119,0.459597266,0.318282341,0.243969464,0.144337567,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,34,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,4,0,0,2,0,0,0,0,0,0,0,0,3,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.69625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.365347222,0.288541667,0,0,0.955833333,0,0,0.653888889,0,0,0,0,0,0,0,0,6.529444444,3.703194444,1.177083333,0,1.993055556,0,0,0,0,0,0,0,0.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.993055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.365347222,0.288541667,0,0,0.225625,0,0,0.288541667,0,0,0,0,0,0,0,0,2.168333333,3.703194444,1.177083333,0,1.993055556,0,0,0,0,0,0,0,0.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.703194444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.365347222,0.288541667,0,0,0.243402778,0,0,0.365347222,0,0,0,0,0,0,0,0,2.180555556,3.703194444,1.177083333,0,1.993055556,0,0,0,0,0,0,0,0.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.75,1.964285714,0.365347222,3.703194444,0.090277778,0.347222222,5.208815,0.902777778,0.703194444,2.465277778,0.902777778,0.703194444,2.465277778,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0,0.14286,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.3762,0.91089,7.84027,1.46407,0.20915,2.59933,0.37133,3.12132,0.52199,0.07457,0.29268,0.04181,0.29268,0.04181,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.127387765,2.748063851,3.141619208,2.932461236,2.191067441,19.28421252,44.67514307,57.70934087,65.97400337,61.58168595,46.01241626,0.209068641,0.484342902,0.62565238,0.715253226,0.667634179,0.498840869,3.474021589,2.264929658,1.644253572,1.250698215,1.459856187,2.201249982,0.209068641,0.484342902,0.62565238,0.715253226,0.667634179,0.498840869,6.73287657,15.74885826,17.81640094,18.21303588,15.70314021,6.806414673,27.64912502,18.81705526,16.36808494,15.95461758,14.69966974,8.312839875,7,2.34375,2.666666667,7,2,5,2.23,1.0519,2.039648903,4.298279727,0,2.828427125,0.5,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.159,0.147,0.088,0.146,2.748,8,6,1,0,0,0,0,0,0,28,2.079441542,2.302585093,2.302585093,1.098612289,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,3,1.111111111,0.125,0,0,0,0,0,0,0,0.5,0.138888889,0.020833333,0,0,0,0,0,0,0,0.659722222,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,0,126.9918924,3.807354922,3.36729583,4.043051268,4.844187086,5.549076085,6.354370041,7.063903961,7.870547845,8.580918882,9.387900612,70.06125161,2.564949357,0,3.80666249,0,5.262690189,0,6.767343125,0,8.282230063,8.532278829,98.10955045,4.671883355,12.44270382,1.777529117,0,0,0,44,6,3.735,28,1.2236,2.128273493,2.955360339,3.512902526,3.977693303,5.88270204,0,0,0,0,73.7959167,92.30288371,86.26749321,35.02373153,11.18692623,5.977201766,0,0,0,0,278.2003652,367.276639,429.9829175,289.6952343,177.5345353,182.8564068,0,0,0,0,8.897867644,15.15726891,21.02624151,24.37597088,26.98115119,39.52272188,0,0,0,0,2.110244062,2.917181255,3.683287078,2.939794509,2.199489397,2.615525242,0,0,0,0,175.6104775,329.2192229,456.3427875,588.4998736,715.0618734,1087.815449,0,0,0,0,2.94925625,4.031754994,6.120575664,6.089784237,5.003674726,5.88270204,0,0,0,0,0.43759575,0.611177716,0.780674286,0.641335041,0.495963888,0.602388689,0,0,0,0,332.4722634,142.7893348,10.0395173,138.8457962,-59.63113635,-8.848642653,193.6264672,202.4204711,18.88815995,0.705409557,0.302957487,0.021300939,0.294590443,-0.126519948,-0.018774249,156.7001821,67.2991922,4.731805814,65.44053125,-28.10523148,-4.170525086,0.133110846,0.237778982,2.959407983,4.337140436,471.3180596,0,1,0,393.1393776,19.82774263,7.32569526,529.3948196,23.00858143,8.089590956,672.7778405,25.93796138,8.762416508,1.614441754,1.548464708,290.8915689,288.2890226,113.973222,1.009027559,2.552279945,2.529445228,3.686870922,3.477616438,6.522108179,0.875453575,4.149594424,4.863402428,3.084841805,23.96954976,7.400021118,9.346852094,12.02629524,6.708010019,3.13400236,0.660501497,0.648627375,1.904596213,2.41E-10,5.90E-42,2.78E-95,2.53E-170,4.43E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348257413,4.863167187,0.180557288,8.282387172,3.088913267,0.417230815,0.760548217,0.200758733,0.802990498,0.055423534,0.035200744,0.013414227,1.70E-12,4.15E-44,1.96E-97,1.78E-172,3.12E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,1.124191339,4.863183385,0.634476192,10.38972176,3.435009371,1.581698753,2.575922696,0.886736287,0.993018799,0.178919051,0.126306161,0.139786586,1.77E-11,4.33E-43,2.04E-96,1.85E-171,3.25E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,3.916879296,4.86337677,2.857902722,22.62190672,6.947224555,8.567317154,11.16531871,6.082419421,2.890199663,0.623454177,0.599007543,1.696960936,2.15E-10,5.25E-42,2.48E-95,2.25E-170,3.95E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.656845653,4.863203953,0.987321796,12.16139474,3.831117355,2.576519953,3.965890753,1.548347914,1.20832154,0.263698947,0.198974555,0.303635145,3.85E-11,9.40E-43,4.43E-96,4.03E-171,7.06E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,5.011233796,4.863510209,3.980890848,29.39899977,9.290974802,12.49752541,15.40859706,9.282283186,4.151485264,0.797676588,0.84604765,2.777674579,3.52E-10,8.60E-42,4.05E-95,3.69E-170,6.46E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,2.26555339,3.183992084,1.250059932,13.03601813,5.412464099,3.879238234,6.24699057,2.185525701,1.885730066,0.513500935,0.271373426,0.493620969,6.25E-11,1.53E-42,7.20E-96,6.55E-171,1.15E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,3.031791306,1.123227508,1.027206931,0.585036518,0.216746156,0.419202518,0.44464,0.407969699,5.182225746,7.67345552,16.35372291,0.377554777,1.271812218,2.390880754,0.601280981,0.56750317,0.671658939,0.168915052,0.259342762,0.128140748,0.124520962,3.559664905,3.135652395,7.51115482,0.507488409,0.512004471,2.644847039,0.809163562,0.750082803,0.62911234,0.192470405,0.317898248,0.23166418,0.217533968,4.204093404,4.730907805,10.54026381,0.44366851,0.767096395,3.015867554,1.110362174,1.015825982,0.586510089,0.215937406,0.414741782,0.434595099,0.398979452,5.142055711,7.540236622,16.08399414,0.379765134,1.248316333,2.758304359,0.901571389,0.831465963,0.614138165,0.200735425,0.346077696,0.287309875,0.267299814,4.491341711,5.529870405,12.08890857,0.421207248,0.900687385,3.081661639,1.163488124,1.062837636,0.580570639,0.219195721,0.433336271,0.476796213,0.436763442,5.3079874,8.097381661,17.21614866,0.370855959,1.346895926,3.036353928,1.108256568,1.015056981,0.588478607,0.214792246,0.420203918,0.433173502,0.398375312,5.159667477,7.572075002,16.1474693,0.38271791,1.251752732 +UMLMON0210,L,"3,3-Dimethyl-1-Pentene",CCC(C)(C)C=C,18852,,"Sandia, UML","[1], [9]",C7H14,PubChem,,86.1,0,2.1915,4.80267225,39.2359,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1421.570648,1143.122237,844.685524,764.844868,296.666496,36.578304,0,3885.475125,4800.404174,6201.692835,6329.46691,5024.161862,3859.887636,2940.181259,1119.0148,0,167.819552,166.665724,297.134432,346.886708,413.98024,250.741264,211.133952,241.864704,0,29.42500648,37.33900896,51.47559827,56.25113559,48.76361937,34.74825263,29.39274087,16.00606457,0,3973.037281,3337.521256,6633.857827,7689.314923,10258.45896,5979.410829,4784.447057,6657.035473,0,42.80555556,50.66666667,73.5,89.88888889,83.66666667,56,54,36,0,48.76541633,52.3287937,33.84692019,23.32902524,14.07809207,21.24569078,9.8888832,1.016064,0,161.8947969,208.713225,147.6593532,129.1727941,83.73603103,107.219101,98.00604198,31.08374443,0,6.992481333,7.246335826,7.074629333,7.079320571,6.899670667,6.965035111,7.0377984,6.718464,0,1.226041937,1.623435172,1.225609483,1.147982359,0.812726989,0.96522924,0.979758029,0.444612905,0,165.54322,145.1096198,157.9489959,156.9247943,170.9743159,166.0947452,159.4815686,184.917652,0,1.783564815,2.202898551,1.75,1.83446712,1.394444444,1.555555556,1.8,1,0,0.041976541,-7.81E-04,-0.005865297,-0.030700449,0.013009357,0.008308338,-0.027907544,0.022948758,0,645.6853813,-53.80711511,40.35533633,-511.1675936,201.7766817,80.71067267,-564.9747087,484.264036,0,1200.679538,-100.0566282,75.04247115,-950.5379679,375.2123557,150.0849423,-1050.594596,900.5096538,0,0.126485333,-0.010540444,0.007905333,-0.100134222,0.039526667,0.015810667,-0.110674667,0.094864,0,5.367596186,-0.447299682,0.335474762,-4.24934698,1.677373808,0.670949523,-4.696646663,4.025697139,0,29.15686767,-2.429738973,1.822304229,-23.08252024,9.111521147,3.644608459,-25.51225921,21.86765075,0,4.045138889,-1.569878472,1.750868056,-3.384982639,0.532986111,2.307291667,-4.299479167,2.640625,0,0.001749023,-3.40E-05,-1.40E-04,-6.27E-04,2.17E-04,2.31E-04,-9.30E-04,6.37E-04,0,26.90355756,-2.339439787,0.960841341,-10.43199171,3.362944694,2.24196313,-18.83249029,13.45177878,0,50.0283141,-4.350288182,1.786725503,-19.39873404,6.253539262,4.169026175,-35.01981987,25.01415705,0,0.005270222,-4.58E-04,1.88E-04,-0.002043556,6.59E-04,4.39E-04,-0.003689156,0.002635111,0,0.223649841,-0.019447812,0.007987494,-0.086721367,0.02795623,0.018637487,-0.156554889,0.111824921,0,1.214869486,-0.105640825,0.043388196,-0.471071842,0.151858686,0.101239124,-0.85040864,0.607434743,0,0.168547454,-0.068255586,0.041687335,-0.069081278,0.008883102,0.064091435,-0.143315972,0.073350694,0,-0.019425347,-0.079844558,-0.358222815,0.123967885,0.131952083,-0.531869347,0.364469574,0,-0.086956522,0.035714286,-0.387755102,0.125,0.083333333,-0.7,0.5,0,-0.086956522,0.035714286,-0.387755102,0.125,0.083333333,-0.7,0.5,0,-0.086956522,0.035714286,-0.387755102,0.125,0.083333333,-0.7,0.5,0,-0.086956522,0.035714286,-0.387755102,0.125,0.083333333,-0.7,0.5,0,-0.086956522,0.035714286,-0.387755102,0.125,0.083333333,-0.7,0.5,0,-0.404963613,0.247332925,-0.409862486,0.052703863,0.380257511,-0.850300429,0.435193133,0,1.362684452,1.239212783,1.545084133,0.740250766,0.858322138,1.380495031,0.004797343,0,1.5,1.078125,1.496173469,0.6828125,0.838541667,1.725,0,0,1.5,1.078125,1.496173469,0.6828125,0.838541667,1.725,0,0,1.5,1.078125,1.496173469,0.6828125,0.838541667,1.725,0,0,1.5,1.078125,1.496173469,0.6828125,0.838541667,1.725,0,0,1.5,1.078125,1.496173469,0.6828125,0.838541667,1.725,0,0,1.867811159,0.641160842,1.630971359,0.713361946,0.421173104,2.274334764,0,0,34.50297456,17.25148728,26.63429192,34.50297456,4.31287182,17.25148738,0,0.075046949,0.009380869,-2.071713101,29.00200222,3.625250278,2.693891896,34.50297456,17.25148728,26.63429192,34.50297456,4.31287182,17.25148738,0,0.075046949,0.009380869,-2.071713101,29.00200222,3.625250278,2.693891896,34.50297456,17.25148728,26.63429192,34.50297456,4.31287182,17.25148738,0,0.075046949,0.009380869,-2.071713101,29.00200222,3.625250278,2.693891896,34.50297456,17.25148728,26.63429192,34.50297456,4.31287182,17.25148738,0,0.075046949,0.009380869,-2.071713101,29.00200222,3.625250278,2.693891896,34.50297456,17.25148728,26.63429192,34.50297456,4.31287182,17.25148738,0,0.075046949,0.009380869,-2.071713101,29.00200222,3.625250278,2.693891896,34.50297456,17.25148728,26.63429192,34.50297456,4.31287182,17.25148738,0,0.075046949,0.009380869,-2.071713101,29.00200222,3.625250278,2.693891896,41.96311978,20.88833072,32.92581477,41.82327603,5.227909504,20.88833073,-0.186458333,0.174177294,0.021772162,-1.398145255,38.06621136,4.75827642,2.911461638,0,11.89,12.11011416,-0.173257305,0.0497216,5.7984375,7.816780726,7,23,22,22,6,1,1,0,0,1,17.491312,3.580991052,3.241845725,2.473697634,2.333552793,2.333552793,1.667140411,0.99246756,0.35459798,1.91620661,1.711806279,1.249629723,1.249629723,1.234184889,0.652665637,0.376261594,0.083923071,3.601636472,3.272849514,2.529041149,2.405454588,2.405454588,1.74347493,1.112349535,0.480288334,1.863414595,1.642452585,1.134540686,1.134540686,1.132871213,0.528122103,0.218209928,0.270913902,3.695817684,3.410942684,2.767581608,2.704236987,2.704236987,2.063699741,1.589833325,0.959218208,1.715285943,1.438770041,0.81382936,0.76031856,0.76031856,0.124103716,0.324487942,0.943918427,3.617027788,3.295799017,2.569639004,2.457539916,2.457539916,1.79900572,1.198085869,0.569009152,1.830413179,1.598270025,1.066486125,1.058262671,1.058262671,0.44565858,0.111352412,0.399277246,3.743697063,3.478931018,2.879431616,2.838982085,2.838982085,2.208909091,1.793657037,1.207644823,1.67142717,1.375727223,0.708139358,0.631337262,0.631337262,0.014724005,0.523397577,1.150770461,3.61578964,3.307234903,2.629396482,2.581467583,2.581467583,1.858162397,1.245284609,0.654523211,1.838576812,1.548125754,0.993688571,0.926295169,0.926295169,0.351946527,0.026329441,0.551724138,0,0,0,1,1,4,1,1,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.696923425,0,0,0,0.577350269,0.333333333,0.666666667,0.439826406,0.23570226,0.471404521,6.568914101,3.625897658,3.365043969,1.321367205,0.666666667,0.666666667,0,0,0.821114263,0.51798538,0.420630496,0.264273441,0.166666667,0.166666667,0,0,6.36180732,3.259872254,2.911023525,0.997503941,0.471404521,0.471404521,0,0,0.795225915,0.465696036,0.363877941,0.199500788,0.11785113,0.11785113,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,56,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,3,0,1,0,0,0,0,0,0,0,0,4,0,1,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.711759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,0.984930556,0.870833333,0,0.272916667,0,0,0,0,0,0,0,0,8.753611111,0,1.224537037,0,2.282407407,0,0.810092593,0,0,1.429351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.429351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,0.225625,0.290277778,0,0.272916667,0,0,0,0,0,0,0,0,2.14125,0,1.224537037,0,2.282407407,0,0.810092593,0,0,1.429351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.282407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,0.290277778,0.290277778,0,0.272916667,0,0,0,0,0,0,0,0,2.235555556,0,1.224537037,0,2.282407407,0,0.810092593,0,0,1.429351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.5,1.8125,0.290277778,2.282407407,0.061597222,0.810092593,5.153611667,0.523240741,0.282407407,2.072037037,0.523240741,0.282407407,2.072037037,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.5,0.25,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.74717,0.9684,8.87961,1.13244,0.14155,3.03453,0.37932,3.62588,0.59135,0.07392,0.28812,0.03601,0.28812,0.03601,0,7,0,0,0,0,0,0,0.75,0.918295834,1.976489212,3.04248125,3.04248125,3.04248125,2.660401042,22.03910002,47.43574108,73.01955001,73.01955001,73.01955001,63.84962501,0.200284263,0.43108078,0.663578219,0.663578219,0.663578219,0.580244886,3.666666667,2.608473289,1.54248125,1.54248125,1.54248125,1.924561459,0.200284263,0.43108078,0.663578219,0.663578219,0.663578219,0.580244886,6.73287657,16.95949615,18.03382961,18.03382961,18.03382961,13.44886711,31.59900002,18.30285172,18.73446146,18.73446146,18.73446146,16.44198021,8,3.9375,7.2,8,2,6,2.34,1.1928,1.62865057,3.265986324,4,0,1,2.828427125,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.096,0.164,0.169,3.455,8,5,4,4,0,0,0,0,0,36,2.197224577,2.48490665,2.197224577,2.197224577,2.197224577,0,0,0,0,0,3.951243719,1.416666667,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,3,5,0.666666667,2.5,0.666666667,0.25,0.32,0,0,0,0,0,0,0.357142857,0.083333333,0.05,0.08,0,0,0,0,0,0,0.57047619,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,0,144.287877,4,3.433987204,4.043051268,4.779123493,5.424950017,6.150602768,6.814542897,7.529943371,8.204398418,8.912338567,70.292938,2.708050201,0,3.850147602,0,5.105945474,0,6.408528791,0,7.738488122,8.049746291,112.1252005,4.671883355,14.50192071,1.812740089,0,0,0,74,5,3.913,30,1.215576399,2.105583568,2.986458221,3.603757336,4.541215233,5.748666369,6.151188616,0,0,0,74.72146208,82.69446583,77.3622597,61.76251615,114.2002136,57.66791925,6.25000131,0,0,0,279.6692386,343.6092748,406.4784207,334.8293212,545.9750672,569.5890191,191.2019749,0,0,0,8.844031061,14.97058929,21.18395933,24.94599159,31.79772093,40.48746797,41.32653927,0,0,0,2.114274048,2.780398302,3.550966754,3.135451694,4.769626021,5.681760326,2.734897839,0,0,0,174.1781444,327.2231683,465.7135188,610.2137136,741.6877426,914.4555183,1137.463356,0,0,0,2.757742584,3.884153174,5.591750786,5.207964864,7.497482679,10.42153574,6.151188616,0,0,0,0.438165729,0.584379365,0.755176671,0.67747416,1.017249923,1.231650261,0.629881714,0,0,0,360.7221191,163.4040296,9.584305335,81.8922884,-37.09650506,-4.887462993,278.8298307,200.5005346,14.47176833,0.814980518,0.369179193,0.021653849,0.185019482,-0.08381224,-0.011042259,159.660807,72.32497773,4.242151627,36.24670671,-16.41944761,-2.163261537,0.126169413,0.187737457,1.069001201,1.239858867,442.6144075,0,1,0,455.4221431,21.3406219,7.693749598,615.639299,24.8120797,8.506980651,744.3720783,27.28318307,9.062820077,1.734682102,1.734682102,640.6661335,559.2359,126.0096506,1.145609811,5.084262437,4.438040238,4.467247883,4.51988231,7.806463164,0.727138591,6.5276077,5.840172439,2.247873845,18.3017916,9.169399408,10.25403379,4.984378468,9.51591833,9.57630154,4.910157749,5.848353838,2.570280556,6.809229102,0.00466792,0.04124302,1.75E-21,1.59E-62,2.99E-125,1.12E-209,8.33842204E-316,0,0,0,0,0,0,0,0,0,0,0.547822387,5.830332636,0.182159382,7.632425467,2.068380713,0.675127359,0.738413353,1.342869035,2.417803887,0.258783509,0.325961359,0.226621015,0.174799417,3.36E-05,2.90E-04,1.23E-23,1.12E-64,2.10E-127,7.92E-212,5.87282E-318,0,0,0,0,0,0,0,0,0,0,1.768424054,5.830990301,0.592308536,8.533137783,2.778646383,2.301482975,1.419098025,2.348085047,3.379243826,0.736080294,1.160832126,0.64129803,0.825639131,3.44E-04,0.003027004,1.28E-22,1.17E-63,2.19E-126,8.25E-211,6.11993E-317,0,0,0,0,0,0,0,0,0,0,6.161529528,5.839092167,2.117341417,17.19681338,8.473174373,9.551264878,4.658640295,8.780995221,8.961264187,4.458373678,5.406847072,2.404263545,6.154238405,0.00415953,0.036746789,1.56E-21,1.42E-62,2.66E-125,1.00E-209,7.42938394E-316,0,0,0,0,0,0,0,0,0,0,2.606328833,5.831842862,0.877279801,9.530655708,3.485706359,3.515583348,1.94159614,3.235015789,4.187631901,1.203920048,1.820754629,0.944878766,1.481270894,7.46E-04,0.006575058,2.79E-22,2.53E-63,4.76E-126,1.79E-210,1.3293306E-316,0,0,0,0,0,0,0,0,0,0,7.883030397,5.8447148,2.735798837,22.90602182,12.04412749,12.98818328,6.265154934,12.50334998,12.05425031,6.772561143,7.600491503,3.210559137,9.51689905,0.006805368,0.060149069,2.55E-21,2.32E-62,4.35E-125,1.64E-209,1.21608049E-315,0,0,0,0,0,0,0,0,0,0,3.779247693,5.079191244,1.132749748,11.28410755,4.757521236,5.232514768,2.509940778,4.137327983,5.248863318,1.978957041,2.853529796,1.453657171,2.574943654,0.001423772,0.012554356,5.32E-22,4.84E-63,9.09E-126,3.42E-210,2.5382117E-316,0,0,0,0,0,0,0,0,0,0,5.893107475,1.630625676,0.552662695,0.72967046,0.201900168,0.628989453,0.590278065,0.408677762,8.076395846,13.767539,27.15472069,0.59450569,1.62794528,4.794451499,0.92521024,0.200679141,0.809826933,0.156276515,0.416688175,0.190221354,0.053805875,5.920340879,5.583692425,12.39422101,0.7147404,0.660715404,5.230787318,1.205293044,0.340575567,0.771883267,0.17785956,0.495800206,0.322709042,0.155157697,6.776655929,8.496603289,17.42046269,0.6578249,0.973666945,5.86590646,1.613154763,0.543956778,0.73113465,0.201065829,0.623208409,0.577713773,0.395906506,8.023018,13.53090098,26.70117252,0.596701975,1.596828689,5.425286678,1.330180108,0.402884007,0.757896174,0.185822146,0.533274624,0.392980977,0.217166882,7.158350792,9.938277943,20.00408485,0.636844261,1.143422483,5.978266994,1.685323829,0.579916808,0.72520913,0.204442563,0.647260711,0.630485241,0.449965888,8.243507631,14.51956095,28.60591357,0.587813694,1.72771184,5.875187747,1.615982676,0.544093383,0.731175465,0.201111341,0.625177277,0.579713454,0.396083679,8.035263806,13.57009787,26.77109396,0.596763197,1.60097441 +UMLMON0211,L,"2,5-dimethyl-2-hexene",CC(C)CC=C(C)C,18853,,UML,[1],C8H16,PubChem,,82.2,0,0.1642,0.02696164,33.9174,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1349.023542,784.154955,341.197081,87.883488,9.144576,0,3885.475125,5223.921076,7758.63172,7616.018954,5372.71753,2869.090631,1154.675865,279.7536999,0,167.819552,174.20624,341.883496,470.237784,449.544684,288.585892,143.482752,60.466176,0,29.42500648,40.12790896,63.51436973,69.27418059,53.32491663,30.38306877,13.35045943,4.001516144,0,3973.037281,3464.315612,7404.551417,10832.52895,11018.60478,7263.286629,3692.500067,1664.258868,0,36.55555556,44.58333333,74.77777778,96.91666667,86.33333333,54,27,9,0,48.76541633,56.15943233,37.32917321,20.13467973,12.06392238,8.123740024,4.184928,1.016064,0,161.8947969,217.6633782,161.6381608,113.6719247,82.65719278,68.31168168,54.98456499,31.08374443,0,6.992481333,7.258593333,7.122572833,7.018474388,6.916072062,6.871092667,6.832512,6.718464,0,1.226041937,1.671996207,1.323216036,1.033942994,0.820383333,0.723406399,0.635736163,0.444612905,0,165.54322,144.3464838,154.2614879,161.6795365,169.5169966,172.9353959,175.8333365,184.917652,0,1.523148148,1.857638889,1.55787037,1.446517413,1.328205128,1.285714286,1.285714286,1,0,0.032255029,-0.003035682,-0.005196084,-0.015953261,-1.14E-04,0.002817482,5.75E-04,0.004778912,0,645.6853813,6.32E-13,-80.71067267,-390.1015846,-53.80711511,40.35533633,40.35533633,121.066009,0,1200.679538,0,-150.0849423,-725.4105544,-100.0566282,75.04247115,75.04247115,225.1274134,0,0.126485333,2.94E-15,-0.015810667,-0.076418222,-0.010540444,0.007905333,0.007905333,0.023716,0,5.367596186,1.20E-14,-0.670949523,-3.242922696,-0.447299682,0.335474762,0.335474762,1.006424285,0,29.15686767,-1.14E-13,-3.644608459,-17.61560755,-2.429738973,1.822304229,1.822304229,5.466912688,0,2.314814815,-0.805555556,-0.074074074,-0.596450617,-0.097993827,0.449074074,-0.372685185,0.340277778,0,0.00134396,-1.26E-04,-1.08E-04,-2.38E-04,-1.76E-06,6.71E-05,2.74E-05,5.31E-04,0,26.90355756,2.63E-14,-1.681472347,-5.82241171,-0.827801771,0.960841341,1.921682683,13.45177878,0,50.0283141,0,-3.126769631,-10.8270232,-1.539332741,1.786725503,3.573451007,25.01415705,0,0.005270222,1.22E-16,-3.29E-04,-0.00114057,-1.62E-04,1.88E-04,3.76E-04,0.002635111,0,0.223649841,5.02E-16,-0.013978115,-0.048401831,-0.006881534,0.007987494,0.015974989,0.111824921,0,1.214869486,-4.74E-15,-0.075929343,-0.262919516,-0.0373806,0.043388196,0.086776392,0.607434743,0,0.096450617,-0.033564815,-0.00154321,-0.008902248,-0.001507597,0.01069224,-0.017746914,0.037808642,0,-0.094115011,-0.080546888,-0.177169306,-0.001306367,0.04991438,0.020381865,0.395093903,0,9.79E-16,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,0,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,2.32E-14,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,2.24E-15,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,-3.90E-15,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,-0.348,-0.016,-0.092298507,-0.015630769,0.110857143,-0.184,0.392,0,1.532779925,1.175602848,1.172861416,0.87034063,0.749025336,0.770059161,2.03E-05,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.8745,0.874,0.98041791,0.917169231,0.808285714,1.419428571,0,0,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,37.70519329,18.76231887,28.28933508,37.56977663,4.696222078,18.76231889,-0.180555556,0.079288157,0.00991102,-2.027733207,56.65885442,7.082356803,3.229638621,0,11.89,12.11011416,-0.163178056,0.057765027,5.47158872,8.391632439,8,24,24,24,8,0,0,0,0,0,17.491312,3.685989082,3.092821346,2.670943536,2.40090396,2.000350245,1.589017011,0.972022278,0.877194925,1.854241345,1.794539264,1.463589589,1.210734547,0.840676949,0.71947014,0.415151155,0.31945483,3.708521786,3.130308654,2.72129108,2.454611113,2.073125205,1.683813318,1.096376447,1.007695685,1.795418836,1.731647105,1.373528225,1.101293988,0.709085526,0.580517984,0.262315689,0.15462472,3.807905188,3.295836556,2.940502477,2.688356131,2.378721148,2.071155971,1.585579761,1.517481683,1.625089618,1.547459617,1.093912816,0.749844632,0.275686454,0.118286354,0.255749329,0.420338663,3.725133284,3.157994439,2.758334749,2.494130403,2.1260559,1.752167903,1.184872557,1.100332526,1.758190234,1.691652068,1.31486169,1.02906644,0.62139989,0.487591374,0.159423307,0.042618796,3.856582478,3.376213844,3.044680986,2.799242275,2.517788375,2.241595679,1.792298982,1.731344475,1.572877276,1.490407446,1.002393698,0.630707167,0.124872429,0.044424808,0.442305666,0.635939031,3.707159954,3.267489491,2.900482527,2.553728022,2.242082571,1.881001293,1.321967784,1.245365857,1.738938112,1.653368489,1.168678753,0.839162578,0.459893957,0.338590232,0.007169394,0.139155595,0,0,0,0,0,2,4,2,0,0,0,0.11785113,0.201184464,0.166666667,0,0,0.11785113,0.201184464,0.166666667,0.49279928,0,0,0,0.49279928,0,0,0,0.837103655,1.101444348,0.819035594,0.837103655,1.101444348,0.819035594,5.983127663,3.825698503,3.192497939,2.380766767,1.695748723,0.922588984,0.284517797,0,0.747890958,0.478212313,0.319249794,0.216433342,0.141312394,0.115323623,0.094839266,0,5.983127663,3.825698503,3.192497939,2.380766767,1.695748723,0.922588984,0.284517797,0,0.747890958,0.478212313,0.319249794,0.216433342,0.141312394,0.115323623,0.094839266,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,27.61847035,38.59269479,55.2369407,6.904617587,27.61847035,0.056518783,0.007064848,-2.298545802,32.88720351,4.110900438,2.794466905,59,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.678935185,0,5.885925926,0,0,0,2.101805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.308240741,0,1.407083333,0,0,0,1.027731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.497685185,0,0,0,1.074074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.370694444,0.2,1.027731481,5.751583657,0.305601852,0.370694444,1.35787037,0.305601852,0.370694444,1.35787037,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.29657,1.03707,8.29657,0,0,3.82569,0.47821,3.82569,0,0,0.08831,0.01104,0.17431,0.02179,0.208333333,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.772055209,3.522055209,3.371653522,3.538320189,22.03910002,34.03910002,66.52932501,84.52932501,80.91968454,84.91968454,0.200284263,0.309336409,0.604597139,0.768175358,0.735372104,0.77172282,3.666666667,3.166666667,1.812907292,1.062907292,1.213308978,1.046642312,0.200284263,0.309336409,0.604597139,0.768175358,0.735372104,0.77172282,6.73287657,12.73287657,18.67730206,18.51715625,18.36557767,20.36557767,31.59900002,23.74937501,18.28646667,17.30526354,17.74824261,15.16328011,6.125,2.52,1.487603306,2,0,2,2.34,1.1272,0.2,3.150627212,1.807204007,0,3.14734519,5.863977986,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,11,12,8,3,0,0,0,0,60,2.197224577,2.397895273,2.48490665,2.564949357,2.197224577,1.386294361,0,0,0,0,4.110873864,1,0.4,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,3,0.375,0,3,5,0.666666667,2,0.666666667,0.569444444,0.205,0,0,0,0,0,0,0.25,0.066666667,0.094907407,0.068333333,0,0,0,0,0,0,0.479907407,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,0,134.567877,4,3.610917913,4.369447852,5.176149733,5.958424693,6.767343125,7.556427969,8.363808885,9.155989777,9.961614941,76.92012489,2.833213344,0,4.043051268,2.397895273,5.424950017,4.59511985,6.876264612,6.529418838,8.365672384,8.758255243,112.1252005,4.671883355,15.46568272,1.93321034,0,0,0,63,6,4.43,36,1.331436567,2.359396726,3.243611672,4.055944433,4.938835536,5.999901781,7.123235952,0,0,0,94.01800751,103.5980495,75.70316523,58.05997243,47.61186938,27.67860672,7.237663614,0,0,0,334.770918,424.0756512,400.5964559,365.3990016,368.3766294,349.2817916,221.4168458,0,0,0,9.725938808,16.89518985,22.84635661,28.13594281,34.04417173,41.08687589,47.85720431,0,0,0,2.47012952,3.377681623,3.55504946,3.523827429,3.791231275,3.969325409,3.167082628,0,0,0,188.3541604,357.5733739,518.4589114,681.2156734,845.6918415,1047.616799,1317.212067,0,0,0,2.537543875,3.815804947,4.835444498,5.532364657,6.570710313,7.945828732,7.123235952,0,0,0,0.509638069,0.707345234,0.758849995,0.763852018,0.830483224,0.882149491,0.729419361,0,0,0,336.5869644,138.3187765,8.532416337,36.7320249,-15.09484704,-2.052796576,299.8549395,153.4136235,10.58521291,0.901606867,0.370510958,0.022855565,0.098393133,-0.04043418,-0.005498774,125.6543054,51.63702584,3.185313043,13.71276241,-5.63519304,-0.766347943,0.072708993,0.158000752,0.855707029,1.455890798,373.3189893,0,1,0,402.4237007,20.06050101,7.38291469,557.416278,23.60966493,8.229874559,659.8870066,25.68826593,8.706090801,1.406004067,1.039522121,585.9369575,563.6149656,143.3950696,1.039605038,4.086172273,3.930504495,4.502940619,4.389230947,8.333691565,0.898667823,4.462408855,4.441389222,3.592736028,11.49991877,11.00654551,8.182941316,6.528102446,12.83442988,6.097572568,2.642034858,2.099626353,4.67603053,1.3056939,1.89253498,0.418192817,0.062922621,5.23E-20,8.39E-60,2.60E-121,1.55E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0.374499053,4.441098655,0.777061924,4.313564792,1.17147997,3.313757666,0.275858435,0.684410461,0.504494822,0.107869506,0.748566068,1.19545768,0.016617002,0.058445993,0.002945367,4.43E-04,3.69E-22,5.91E-62,1.83E-123,1.09E-206,1.2563210686816E-311,0,0,0,0,0,0,0,0,0,1.208928595,4.441118701,1.13319838,5.488603258,2.438158763,4.009744988,0.98453492,2.148921433,1.119785668,0.42323995,0.906531824,1.70902662,0.114896254,0.254814924,0.030692989,0.004618164,3.84E-21,6.16E-61,1.91E-122,1.14E-205,1.30918341642953E-310,0,0,0,0,0,0,0,0,0,4.212149946,4.441357544,3.343028098,10.95672861,10.14235538,7.779460263,5.944567763,11.73134043,5.568954119,2.415467158,1.97523656,4.39329913,1.168459482,1.717280127,0.372602272,0.056062923,4.66E-20,7.48E-60,2.31E-121,1.38E-204,0.00E+00,0,0,0,0,0,0,0,0,0,1.781738316,4.441144121,1.442582545,6.381886512,3.527673018,4.57597615,1.639533428,3.455805175,1.698455345,0.699682161,1.049951913,2.120036368,0.231308908,0.442470219,0.066669272,0.01003127,8.34E-21,1.34E-60,4.14E-122,2.47E-205,2.84372132224983E-310,0,0,0,0,0,0,0,0,0,5.389004952,4.441522287,4.605099476,13.62833632,14.5038412,9.79651602,8.916635685,17.32660223,8.266241033,3.562014103,2.60750897,5.80194365,1.880026948,2.6129262,0.609894919,0.09176673,7.63E-20,1.22E-59,3.79E-121,2.26E-204,0.00E+00,0,0,0,0,0,0,0,0,0,2.966698408,4.244077618,1.951652004,7.535962332,5.785041382,5.810049988,3.075716652,6.429794715,3.06708517,1.358821736,1.474957681,3.68222592,0.559331849,0.989005156,0.16681376,0.025099328,2.09E-20,3.35E-60,1.04E-121,6.18E-205,7.11529978875355E-310,0,0,0,0,0,0,0,0,0,5.436042046,1.246093516,1.071882018,0.701061352,0.160702952,0.499747203,0.360810018,0.522243898,7.75401758,13.9362777,28.95102764,0.551592028,1.382801119,4.492964474,0.739842273,0.54278748,0.777922461,0.128098035,0.342827396,0.128008532,0.132016071,5.775594227,6.164387036,13.74425301,0.666883691,0.602851999,4.866921714,0.940787412,0.753650639,0.741755046,0.143382995,0.401470442,0.206444744,0.256709458,6.561359766,8.955722379,18.96785148,0.612632569,0.864624644,5.412636675,1.233547336,1.058853382,0.702480261,0.160096217,0.495489931,0.353633417,0.509590617,7.705037392,13.71407797,28.48880785,0.553720391,1.358713965,5.033876407,1.030406656,0.847324744,0.728322056,0.149083496,0.42916871,0.247366767,0.325323878,6.911607808,10.32535685,21.63198706,0.592483084,1.001859356,5.509334951,1.285376817,1.112649703,0.696734931,0.162554453,0.513198557,0.383741699,0.562795101,7.907361472,14.64170546,30.42837527,0.545102397,1.459735357,5.438561603,1.234521359,1.061890348,0.70311317,0.159602536,0.500166534,0.354139352,0.512676693,7.73497331,13.80010285,28.66462968,0.554669755,1.36698258 +UMLMON0212,L,1-Ethyl-3-Methylcyclopentane,CCC1CCC(C1)C,19502,,"Sandia, UML",[1],C8H16,PubChem,,59.8,0,0.6666,0.44435556,32.3582,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1128.97815,1029.163805,711.426747,324.009673,73.744272,6.096384,0,3399.790734,4147.41404,5230.324054,5399.686957,4426.029515,2598.935292,977.7717595,186.5024666,0,146.842108,144.889944,255.179544,322.739636,333.334956,247.87594,122.928192,40.310784,0,25.74688067,32.32302034,44.11934665,48.22798282,42.42184023,27.04645994,11.34768931,2.667677429,0,3476.407621,2904.481805,5640.598507,7452.51301,8033.980219,6185.575821,3169.542215,1109.505912,0,41.27777778,46,62.41666667,76.33333333,78.16666667,58,26,6,0,48.76541633,51.7541979,31.36050417,22.3731262,14.82139056,9.000268694,4.096904,1.016064,0,161.8947969,207.370702,145.2867793,117.3844991,92.20894824,72.192647,54.3206533,31.08374443,0,6.992481333,7.2444972,7.088320667,7.016079043,6.94447825,6.885442778,6.829344,6.718464,0,1.226041937,1.616151017,1.225537407,1.048434409,0.883788338,0.751290554,0.630427184,0.444612905,0,165.54322,145.2240902,156.6832919,162.0111524,167.3745879,171.8215506,176.0856786,184.917652,0,1.965608466,2.3,1.733796296,1.65942029,1.628472222,1.611111111,1.444444444,1,0,0.048701043,-0.009199337,-0.017610822,0.001816656,-7.77E-04,-0.008887812,0.002974695,0.007333598,0,564.9747087,-53.80711511,-121.066009,-147.9695666,-80.71067267,-4.44E-13,40.35533633,80.71067267,0,1050.594596,-100.0566282,-225.1274134,-275.1557275,-150.0849423,1.42E-13,75.04247115,150.0849423,0,0.110674667,-0.010540444,-0.023716,-0.028986222,-0.015810667,-1.01E-15,0.007905333,0.015810667,0,4.696646663,-0.447299682,-1.006424285,-1.230074126,-0.670949523,-4.14E-15,0.335474762,0.670949523,0,25.51225921,-2.429738973,-5.466912688,-6.681782175,-3.644608459,-7.77E-15,1.822304229,3.644608459,0,5.701058201,-1.249685059,-0.896258503,-0.191735954,0.474300831,-0.757369615,-0.775510204,0.545729403,0,0.002319097,-4.60E-04,-4.89E-04,3.95E-05,-1.62E-05,-2.47E-04,1.65E-04,0.001222266,0,26.90355756,-2.690355756,-3.362944694,-3.216729708,-1.681472347,-1.23E-14,2.24196313,13.45177878,0,50.0283141,-5.00283141,-6.253539262,-5.981646251,-3.126769631,3.95E-15,4.169026175,25.01415705,0,0.005270222,-5.27E-04,-6.59E-04,-6.30E-04,-3.29E-04,-2.82E-17,4.39E-04,0.002635111,0,0.223649841,-0.022364984,-0.02795623,-0.026740742,-0.013978115,-1.15E-16,0.018637487,0.111824921,0,1.214869486,-0.121486949,-0.151858686,-0.145256134,-0.075929343,-2.16E-16,0.101239124,0.607434743,0,0.271478962,-0.062484253,-0.02489607,-0.004168173,0.009881267,-0.021038045,-0.0430839,0.0909549,0,-0.198338739,-0.210939615,0.017029261,-0.006984569,-0.106456801,0.071260835,0.527044006,0,-0.1,-0.125,-0.119565217,-0.0625,-4.59E-16,0.083333333,0.5,0,-0.1,-0.125,-0.119565217,-0.0625,7.89E-17,0.083333333,0.5,0,-0.1,-0.125,-0.119565217,-0.0625,-5.34E-15,0.083333333,0.5,0,-0.1,-0.125,-0.119565217,-0.0625,-5.14E-16,0.083333333,0.5,0,-0.1,-0.125,-0.119565217,-0.0625,-1.78E-16,0.083333333,0.5,0,-0.230162413,-0.091705336,-0.015353576,0.036397912,-0.0774942,-0.158700696,0.335034803,0,1.493880561,1.134614324,0.827253336,0.89346431,1.093701366,0.991127461,0.187131557,0,1.5,1.25,1.118012422,0.9375,0.773809524,0.595238095,0,0,1.5,1.25,1.118012422,0.9375,0.773809524,0.595238095,0,0,1.5,1.25,1.118012422,0.9375,0.773809524,0.595238095,0,0,1.5,1.25,1.118012422,0.9375,0.773809524,0.595238095,0,0,1.5,1.25,1.118012422,0.9375,0.773809524,0.595238095,0,0,1.588399072,0.82424594,0.790174518,0.821200696,1.339907193,1.364269142,0,0,27.77145841,13.8857292,21.25186836,27.77145841,3.967351201,13.88573196,-3.55E-15,0.028464335,0.004066334,-2.491372353,25.18451546,3.597787923,2.258360538,27.77145841,13.8857292,21.25186836,27.77145841,3.967351201,13.88573196,-3.55E-15,0.028464335,0.004066334,-2.491372353,25.18451546,3.597787923,2.258360538,27.77145841,13.8857292,21.25186836,27.77145841,3.967351201,13.88573196,-3.55E-15,0.028464335,0.004066334,-2.491372353,25.18451546,3.597787923,2.258360538,27.77145841,13.8857292,21.25186836,27.77145841,3.967351201,13.88573196,-3.55E-15,0.028464335,0.004066334,-2.491372353,25.18451546,3.597787923,2.258360538,27.77145841,13.8857292,21.25186836,27.77145841,3.967351201,13.88573196,-3.55E-15,0.028464335,0.004066334,-2.491372353,25.18451546,3.597787923,2.258360538,27.77145841,13.8857292,21.25186836,27.77145841,3.967351201,13.88573196,-3.55E-15,0.028464335,0.004066334,-2.491372353,25.18451546,3.597787923,2.258360538,41.04362031,20.29165143,31.81843428,40.71482213,5.816403161,20.29165143,-0.46031746,0.090779919,0.01296856,-1.679522019,26.57223735,3.796033907,2.295906873,0,11.79,12.21004853,-0.30682145,0.113406162,5.204858732,8.040754737,6,20,19,19,5,1,1,0,0,1,15.304898,3.528447223,3.108626591,2.687175649,2.147976211,1.726311245,1.058745759,0.858937593,0.083923071,1.908813845,1.60339969,1.415539689,1.045724518,0.825692884,0.40049706,0.329091092,0.083923071,3.553418826,3.141392338,2.740513726,2.216211108,1.815025422,1.172977336,0.991456815,0.270913902,1.851840022,1.5307966,1.318506595,0.930560684,0.691939839,0.245272081,0.165682437,0.270913902,3.664384268,3.287275455,2.969183195,2.504826455,2.180322936,1.632381919,1.507026384,0.943918427,1.686764112,1.316633233,1.013401318,0.55975477,0.248045858,0.284531097,0.402096569,0.943918427,3.571877548,3.165647987,2.779549368,2.265966152,1.879155083,1.25496504,1.08537361,0.399277246,1.81577786,1.484459471,1.254971322,0.854478661,0.602593438,0.14053517,0.054778148,0.399277246,3.719112574,3.358966539,3.07610909,2.637125636,2.342519561,1.830316353,1.722579832,1.207644823,1.636088222,1.250098264,0.912318813,0.433745291,0.091850196,0.477144233,0.613740726,1.207644823,3.58775907,3.268775553,2.829845358,2.335180709,1.902612842,1.338264571,1.149448395,0.525,1.88641186,1.39239751,1.159663159,0.743928278,0.542928815,0.066126651,0.054569777,0.525,0,0,1,1,0,2,2,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.49279928,0.40824829,0.204124145,0.455341801,0.284517797,0.11785113,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.276020882,2.917450212,2.037797401,1.265959019,0.451184464,0.11785113,0,0,0.753717269,0.486241702,0.3396329,0.253191804,0.150394821,0.11785113,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,5,1,0,2,0,0,0,0,0,0,0,0,2,1,2,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.628935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.379652778,0.318472222,0,0,1.201875,0.290277778,0,0.698125,0,0,0,0,0,0,0,0,4.440324074,3.648611111,2.433055556,0,1.980324074,0,0.831018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.980324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.379652778,0.318472222,0,0,0.216944444,0.290277778,0,0.318472222,0,0,0,0,0,0,0,0,2.202546296,3.648611111,1.163194444,0,1.980324074,0,0.831018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.648611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.379652778,0.318472222,0,0,0.290277778,0.290277778,0,0.379652778,0,0,0,0,0,0,0,0,2.237777778,3.648611111,1.269861111,0,1.980324074,0,0.831018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.904761905,0.379652778,3.648611111,0.216944444,0.831018519,5.158884722,0.502314815,0.648611111,2.17787037,0.502314815,0.648611111,2.17787037,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.78895,0.82699,7.07892,1.28997,0.18428,2.74317,0.39188,3.30805,0.56488,0.0807,0.10595,0.01514,0.10595,0.01514,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.258572884,3.368042423,3.558518613,3.653756708,3.140202668,19.28421252,47.43003057,70.72889087,74.72889087,76.72889087,65.94425603,0.209068641,0.51420985,0.766803056,0.810168818,0.831851698,0.714930722,3.474021589,2.133744538,1.024275,0.83379881,0.738560714,1.252114755,0.209068641,0.51420985,0.766803056,0.810168818,0.831851698,0.714930722,6.73287657,17.32307969,19.48810467,18.63319754,19.77605468,13.6134062,27.64912502,16.73002464,14.23974061,14.91476064,13.54772211,12.40486497,7,4.166666667,3.84,7,2,6,2.23,1.0519,0.766309432,4.112265279,1.650963624,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.126,0.12,0.128,0.152,2.932,6,5,3,1,0,0,0,0,0,28,2.079441542,2.079441542,1.945910149,1.791759469,1.098612289,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,0,126.9918924,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,98.10955045,4.671883355,12.66537523,1.809339318,0,0,0,50,5,3.896,24,1.2236,2.129805771,2.902518131,3.544298745,4.373808044,5.65104626,7.169405074,0,0,0,73.7959167,75.34723427,73.27507592,63.54370969,49.14608778,26.28506333,7.284574397,0,0,0,278.2003652,333.6774204,363.485232,360.892372,354.5412125,330.6008761,222.851955,0,0,0,8.897867644,15.15092507,20.41173476,24.70111509,30.24725373,38.70570581,48.16738989,0,0,0,2.110244062,2.757551346,3.178945668,3.348385806,3.555775454,3.751549622,3.187610016,0,0,0,175.6104775,329.820158,466.8904803,586.7549227,741.4022604,986.0860409,1325.749553,0,0,0,2.878066667,3.816783501,4.947816698,6.055845636,7.537408873,8.600969685,7.169405074,0,0,0,0.43759575,0.581389068,0.677404975,0.721075184,0.775475357,0.833535366,0.73414708,0,0,0,364.2395247,162.7496606,11.62269422,158.3754087,-70.76536804,-10.88878038,205.864116,233.5150286,22.5114746,0.69695583,0.311414103,0.022239499,0.30304417,-0.135406326,-0.020835188,190.357015,85.05540306,6.074193567,82.76935371,-36.98303811,-5.690639234,0.126758807,0.229671542,1.996565093,5.966082597,522.6149335,0,1,0,393.1393776,19.82774263,7.32569526,529.3948196,23.00858143,8.089590956,621.4347367,24.92859275,8.53359135,1.935016442,1.821544269,459.47904,415.8861691,74.31854339,1.104819237,6.182562507,5.595994622,3.938405998,4.466158665,7.71775273,0.728051623,4.149594424,4.863373452,3.192991441,18.79427771,7.104149077,6.182163639,6.121920309,8.992474967,5.844307512,1.16881717,1.56691833,1.598253814,1.550431541,0.017449186,6.94E-04,5.32E-27,7.87E-72,2.25E-138,1.24E-226,0,0,0,0,0,0,0,0,0,0,0,0.348257413,4.863166983,0.204812515,6.219078719,0.934435009,0.318072378,0.571785442,0.303560948,1.755224025,0.041325625,0.100413901,0.085980945,0.074062434,1.23E-04,4.89E-06,3.75E-29,5.55E-74,1.58E-140,8.71E-229,0,0,0,0,0,0,0,0,0,0,0,1.124191339,4.863181259,0.70277316,7.674187449,1.355549124,1.151911285,1.489642669,1.277177056,2.2886485,0.170808298,0.319747541,0.309023168,0.276018499,0.001280673,5.09E-05,3.91E-28,5.78E-73,1.65E-139,9.07E-228,0,0,0,0,0,0,0,0,0,0,0,3.916879296,4.863350953,2.970438782,17.63113007,6.429896376,5.694698747,5.706069718,8.177540697,5.487406376,1.064181927,1.448834675,1.47537522,1.424884026,0.015546911,6.18E-04,4.74E-27,7.01E-72,2.00E-138,1.10E-226,0,0,0,0,0,0,0,0,0,0,0,1.656845653,4.863199333,1.077859793,9.003177783,1.893526338,1.832141457,2.183573784,2.183063569,2.744273449,0.289582841,0.494070184,0.487564408,0.444169621,0.002781791,1.11E-04,8.48E-28,1.26E-72,3.58E-139,1.97E-227,0,0,0,0,0,0,0,0,0,0,0,5.011233796,4.863467949,4.061987582,23.54745586,9.937310446,8.132894113,7.74800567,12.33114089,7.286754432,1.596668015,2.036267502,2.087619419,2.055204989,0.025447997,0.001011965,7.76E-27,1.15E-71,3.28E-138,1.80E-226,0,0,0,0,0,0,0,0,0,0,0,2.28124299,3.469318146,1.47668396,9.41706967,2.706833347,2.781747927,3.215664215,3.212326129,3.796462658,0.440800151,0.82006061,0.708069786,0.698334073,0.004809434,1.91E-04,1.47E-27,2.17E-72,6.19E-139,3.41E-227,0,0,0,0,0,0,0,0,0,0,0,4.774810019,1.141436469,0.51862535,0.742020997,0.177382937,0.455917258,0.457933847,0.449923879,6.434871838,8.518457691,17.77991148,0.613031496,1.363774983,4.116625897,0.602360566,0.15699604,0.844265929,0.123536244,0.338954204,0.125489663,0.03919685,4.875982503,3.220555296,8.485839799,0.766398893,0.503640717,4.377899768,0.815418447,0.301804532,0.796688258,0.148389487,0.383291355,0.231258189,0.149247902,5.495122747,5.137187204,11.70969788,0.695032387,0.763797447,4.758502051,1.128003196,0.509772882,0.743948583,0.176353056,0.452807781,0.44702503,0.434485954,6.39627813,8.368386271,17.50092414,0.615922874,1.334318766,4.494419345,0.910894259,0.365785433,0.778780492,0.157837225,0.403951906,0.289454132,0.221080496,5.771099037,6.071125758,13.3397287,0.668170737,0.914486534,4.82586996,1.183512014,0.546316459,0.736133611,0.180531796,0.465722592,0.492980771,0.499933205,6.555698432,8.994499355,18.67047063,0.604200417,1.458636568,4.798796213,1.126402042,0.509155836,0.745808537,0.175060624,0.460515584,0.445753951,0.433304218,6.434354091,8.422223124,17.60875486,0.618712806,1.339573753 +UMLMON0213,L,4-Methyl-1-Hexene,CCC(C)CC=C,19589,,"Sandia, UML",[1],C7H14,PubChem,,74,0,0.202,0.040804,31.7974,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1349.023542,927.403012,270.591552,24.385536,0,0,3885.475125,5223.921076,7758.63172,7616.018954,5765.150688,3165.077171,746.0098663,0,0,167.819552,174.20624,341.883496,470.237784,450.366736,330.469632,161.243136,0,0,29.42500648,40.12790896,63.51436973,69.27418059,55.66920373,34.72004754,10.67070972,0,0,3973.037281,3464.315612,7404.551417,10832.52895,10960.48149,8240.145211,4438.023649,0,0,36.55555556,44.52777778,75.08333333,97.66666667,89.33333333,62,24,0,0,48.76541633,56.15943233,37.32917321,20.13467973,14.26773865,5.637324,1.016064,0,0,161.8947969,217.6633782,161.6381608,113.6719247,88.69462596,65.93910774,31.08374443,0,0,6.992481333,7.258593333,7.122572833,7.018474388,6.928719015,6.884784,6.718464,0,0,1.226041937,1.671996207,1.323216036,1.033942994,0.856449288,0.723334324,0.444612905,0,0,165.54322,144.3464838,154.2614879,161.6795365,168.6227921,171.6696919,184.917652,0,0,1.523148148,1.855324074,1.564236111,1.457711443,1.374358974,1.291666667,1,0,0,0.032226476,-0.003076068,-0.004922712,-0.015075592,0.002105701,-0.009823727,0.014679159,0,0,645.6853813,6.47E-13,-80.71067267,-390.1015846,-13.45177878,-161.4213453,322.8426907,0,0,1200.679538,0,-150.0849423,-725.4105544,-25.01415705,-300.1698846,600.3397692,0,0,0.126485333,2.93E-15,-0.015810667,-0.076418222,-0.002635111,-0.031621333,0.063242667,0,0,5.367596186,1.22E-14,-0.670949523,-3.242922696,-0.111824921,-1.341899046,2.683798093,0,0,29.15686767,-1.14E-13,-3.644608459,-17.61560755,-0.607434743,-7.289216918,14.57843384,0,0,2.314814815,-0.861111111,0.231481481,-0.642746914,0.114969136,-0.907407407,0.907407407,0,0,0.00134277,-1.28E-04,-1.03E-04,-2.25E-04,3.24E-05,-2.05E-04,6.12E-04,0,0,26.90355756,2.69E-14,-1.681472347,-5.82241171,-0.206950443,-3.362944694,13.45177878,0,0,50.0283141,0,-3.126769631,-10.8270232,-0.384833185,-6.253539262,25.01415705,0,0,0.005270222,1.22E-16,-3.29E-04,-0.00114057,-4.05E-05,-6.59E-04,0.002635111,0,0,0.223649841,5.07E-16,-0.013978115,-0.048401831,-0.001720383,-0.02795623,0.111824921,0,0,1.214869486,-4.74E-15,-0.075929343,-0.262919516,-0.00934515,-0.151858686,0.607434743,0,0,0.096450617,-0.03587963,0.004822531,-0.009593238,0.001768756,-0.018904321,0.037808642,0,0,-0.095451567,-0.076376824,-0.167570662,0.024125808,-0.152417019,0.455499953,0,0,1.00E-15,-0.0625,-0.21641791,-0.007692308,-0.125,0.5,0,0,0,-0.0625,-0.21641791,-0.007692308,-0.125,0.5,0,0,2.32E-14,-0.0625,-0.21641791,-0.007692308,-0.125,0.5,0,0,2.26E-15,-0.0625,-0.21641791,-0.007692308,-0.125,0.5,0,0,-3.90E-15,-0.0625,-0.21641791,-0.007692308,-0.125,0.5,0,0,-0.372,0.05,-0.099462687,0.018338462,-0.196,0.392,0,0,1.533778602,1.175116688,1.166274363,0.883331288,0.98201531,0.00375257,0,0,1.4375,1.2578125,1.222947761,0.8625,0.8984375,0,0,0,1.4375,1.2578125,1.222947761,0.8625,0.8984375,0,0,0,1.4375,1.2578125,1.222947761,0.8625,0.8984375,0,0,0,1.4375,1.2578125,1.222947761,0.8625,0.8984375,0,0,0,1.4375,1.2578125,1.222947761,0.8625,0.8984375,0,0,0,1.8975,0.81075,1.083402985,0.989353846,1.1385,0,0,0,31.85380639,15.92690319,23.83756752,31.85380639,3.981725799,15.92690359,8.88E-15,0.066697328,0.008337166,-2.16607231,79.10525932,9.888157415,3.49662349,31.85380639,15.92690319,23.83756752,31.85380639,3.981725799,15.92690359,8.88E-15,0.066697328,0.008337166,-2.16607231,79.10525932,9.888157415,3.49662349,31.85380639,15.92690319,23.83756752,31.85380639,3.981725799,15.92690359,8.88E-15,0.066697328,0.008337166,-2.16607231,79.10525932,9.888157415,3.49662349,31.85380639,15.92690319,23.83756752,31.85380639,3.981725799,15.92690359,8.88E-15,0.066697328,0.008337166,-2.16607231,79.10525932,9.888157415,3.49662349,31.85380639,15.92690319,23.83756752,31.85380639,3.981725799,15.92690359,8.88E-15,0.066697328,0.008337166,-2.16607231,79.10525932,9.888157415,3.49662349,31.85380639,15.92690319,23.83756752,31.85380639,3.981725799,15.92690359,8.88E-15,0.066697328,0.008337166,-2.16607231,79.10525932,9.888157415,3.49662349,37.76267142,18.79105793,28.79945179,37.62725476,4.703406844,18.79105795,-0.180555556,0.054655292,0.006831911,-2.325367395,147.6062803,18.45078504,3.995638769,0,11.9,12.10012615,-0.15115338,0.048993119,6.02075,8.706005388,8,24,24,24,8,0,0,0,0,0,17.491312,3.675337031,3.162880705,2.459820995,2.333997497,2.333552793,1.335478412,1.19006016,0.798700894,1.891107712,1.724171079,1.497529069,1.249629723,0.757863935,0.703645119,0.508418841,0.286078446,3.698215037,3.198369785,2.510897621,2.405454588,2.386142915,1.435893727,1.30885592,0.932819665,1.835178193,1.655976007,1.414147725,1.134540686,0.62194973,0.57099125,0.355986113,0.12056834,3.799174666,3.354715944,2.734801489,2.704236987,2.615367568,1.845749736,1.778468089,1.455002604,1.674403251,1.452583651,1.159741793,0.76031856,0.172849073,0.138250509,0.166208895,0.455768274,3.715085026,3.224551543,2.548571849,2.457539916,2.42465188,1.508311693,1.39352899,1.027913344,1.799889715,1.612285733,1.360189956,1.058262671,0.531260614,0.482883961,0.253006478,0.008157148,3.848632591,3.430602176,2.841861735,2.838982085,2.725129198,2.025396568,1.978039144,1.673301526,1.62545086,1.38842831,1.078079918,0.631337262,0.016182923,0.010395142,0.357026849,0.671270843,3.701067363,3.319961147,2.70797144,2.587788018,2.469200804,1.620992982,1.537363943,1.176907675,1.778322252,1.576450563,1.242567517,0.813234598,0.390806661,0.353544604,0.085717294,0.172021696,0,0,0,0,0,2,4,2,0,0,0,0.144337567,0.083333333,0.166666667,0,0,0.144337567,0.083333333,0.166666667,0.5,0,0.166666667,0,0.5,0,0.166666667,0,1.040440115,1.054737854,0.804737854,1.040440115,1.054737854,0.804737854,5.983127663,3.804530453,3.288553642,2.342638956,1.624056764,0.638071187,0.333333333,0,0.747890958,0.475566307,0.328855364,0.212967178,0.147641524,0.106345198,0.083333333,0,5.983127663,3.804530453,3.288553642,2.342638956,1.624056764,0.638071187,0.333333333,0,0.747890958,0.475566307,0.328855364,0.212967178,0.147641524,0.106345198,0.083333333,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,27.01237767,39.55975057,54.02475533,6.753094417,27.01237767,0.19230235,0.024037794,-1.318949124,26.83664572,3.354580715,2.631814665,51,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.686481481,0,5.973240741,0,0,0,2.006944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.343240741,0,1.488935185,0,0,0,0.94212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.343240741,0,1.497685185,0,0,0,1.064814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.343240741,0.2,0.94212963,5.756613426,0.391203704,0.343240741,1.372962963,0.391203704,0.343240741,1.372962963,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.37044,1.0463,8.37044,0,0,3.80452,0.47556,3.80452,0,0,0.10948,0.01369,0.19548,0.02444,0.208333333,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.605388542,2.90726823,2.599483982,2.553508855,22.03910002,34.03910002,62.52932501,69.77443751,62.38761556,61.28421252,0.200284263,0.309336409,0.568246423,0.634087679,0.566958613,0.556931241,3.666666667,3.166666667,1.979573959,1.677694271,1.985478519,2.031453646,0.200284263,0.309336409,0.568246423,0.634087679,0.566958613,0.556931241,6.73287657,12.73287657,16.67730206,15.7197854,13.92330755,15.36325785,31.59900002,23.74937501,20.87142917,21.8948625,24.77671392,22.73934896,6.125,2.52,1.487603306,3,0,3,2.34,1.1272,0.5,2.309401077,2.828427125,0,4.242640687,4.298279727,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,11,11,6,4,0,0,0,0,58,2.197224577,2.397895273,2.48490665,2.48490665,1.945910149,1.609437912,0,0,0,0,4.077537444,1,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,3,0.375,0,2,4,1,1.5,0.888888889,0.277777778,0.25,0,0,0,0,0,0,0.1875,0.088888889,0.046296296,0.0625,0,0,0,0,0,0,0.385185185,15.92690319,23.83756752,31.85380639,3.981725799,15.92690359,0.066697328,0.008337166,-2.16607231,79.10525932,9.888157415,3.49662349,0,134.567877,4,3.610917913,4.369447852,5.164785974,5.948034989,6.744059186,7.533158807,8.328692584,9.119430497,9.91457585,76.73310365,2.833213344,0,4.043051268,2.397895273,5.424950017,4.442651256,6.884486652,6.293419279,8.384118837,8.747193184,112.1252005,4.671883355,15.42009782,1.927512228,0,0,0,62,6,4.43,36,1.331436567,2.361300217,3.186085401,3.878143369,4.785043997,5.957971459,0,0,0,0,94.01800751,99.7734683,72.53775876,67.37613952,30.46453868,6.053680313,0,0,0,0,334.770918,415.3042056,385.5592064,381.3377766,341.8421884,185.1960622,0,0,0,0,9.725938808,16.89642634,22.4121988,26.9672242,33.06958913,40.02841676,0,0,0,0,2.47012952,3.33102485,3.435276901,3.558545845,3.671660077,2.648990997,0,0,0,0,188.3541604,358.6313618,511.5094444,646.8158926,811.4429726,1101.734093,0,0,0,0,2.547841022,3.804505852,4.717439972,5.513641373,6.410141855,5.957971459,0,0,0,0,0.509638069,0.698412789,0.73391064,0.76743503,0.807625684,0.610096277,0,0,0,0,317.8274675,130.612886,8.102890631,56.32453476,-23.14686674,-3.106911158,261.5029327,153.7597527,11.20980179,0.849460822,0.349090437,0.021656681,0.150539178,-0.061864875,-0.008303874,118.9157833,48.8690728,3.031712754,21.07393746,-8.660446536,-1.162457031,0.073275761,0.15163766,0.86237728,1.282807176,374.1520022,0,1,0,402.4237007,20.06050101,7.38291469,557.416278,23.60966493,8.229874559,686.1029646,26.19356724,8.819888577,1.253665701,1.115466794,548.7072723,459.5138786,154.4392972,1.194103808,3.55289931,2.97536888,4.358474168,4.414624753,7.584801505,0.718107864,4.462408855,4.441984107,3.617218777,14.61319239,11.20637269,10.87799145,10.84929244,13.53577944,4.313157539,4.386722696,2.632696849,3.033357828,1.9163486,1.402658063,3.26E-08,4.21E-37,1.05E-87,5.03E-160,4.66E-254,0,0,0,0,0,0,0,0,0,0,0,0.374499053,4.441102845,0.772239604,6.429784818,1.068708374,2.189071334,0.475394432,0.72274487,0.537945982,0.08481058,0.802748592,0.101350427,0.035517064,0.009879035,2.30E-10,2.96E-39,7.38E-90,3.54E-162,3.28E-256,0,0,0,0,0,0,0,0,0,0,0,1.208928595,4.441162362,1.122162786,7.902724853,2.015646867,3.182226299,1.73623702,2.330601266,0.908184421,0.460477389,1.075215636,0.428131422,0.197222949,0.102947166,2.39E-09,3.09E-38,7.69E-89,3.69E-161,3.42E-255,0,0,0,0,0,0,0,0,0,0,0,4.212149946,4.441887575,3.361402603,14.04235244,10.18869308,10.06996857,9.911140888,12.39493431,3.940406723,3.945614262,2.484915488,2.757742482,1.722594221,1.249743081,2.90E-08,3.75E-37,9.33E-88,4.48E-160,4.15E-254,0,0,0,0,0,0,0,0,0,0,0,1.781738316,4.441238959,1.430902701,8.972484322,2.998946804,4.095724504,2.856135268,3.733508843,1.281217483,0.867547247,1.292263835,0.733130938,0.374208291,0.223615001,5.20E-09,6.71E-38,1.67E-88,8.02E-161,7.42E-255,0,0,0,0,0,0,0,0,0,0,0,5.389004952,4.442389871,4.657096767,16.80607387,15.42521298,14.18321983,14.66695743,18.16452669,5.854102018,6.221768703,3.220459831,4.162974388,2.72299099,2.045644961,4.75E-08,6.14E-37,1.53E-87,7.33E-160,6.79E-254,0,0,0,0,0,0,0,0,0,0,0,2.966698408,4.034126591,1.96864418,11.22050744,5.429278362,6.257835793,5.14921049,6.820048614,2.230859631,1.973687608,2.001986709,1.423884712,0.878665501,0.559509033,1.30E-08,1.68E-37,4.18E-88,2.01E-160,1.86E-254,0,0,0,0,0,0,0,0,0,0,0,4.59884489,1.695453275,0.770387031,0.650962465,0.239989926,0.5202551,0.560493194,0.404492346,7.064685196,12.6461723,25.71766273,0.476443698,1.485240639,3.817299515,1.08640775,0.290871246,0.734862224,0.209142618,0.358160457,0.227795295,0.057634249,5.194578511,5.573491218,11.97435461,0.602293335,0.64359,4.127583741,1.328305027,0.481435416,0.695192584,0.223721156,0.418866064,0.341997603,0.157985635,5.937324185,8.109348313,16.68623375,0.542788876,0.918849302,4.579484413,1.680375597,0.758526613,0.652498168,0.239424769,0.515871108,0.550442205,0.392143211,7.018386623,12.44352427,25.29896573,0.478747252,1.458456524,4.265942863,1.436127352,0.566326287,0.680547707,0.229106016,0.447482732,0.400497991,0.218630127,6.268396502,9.355669481,19.09362843,0.52082156,1.066610849,4.65946089,1.74265719,0.807515585,0.646282614,0.241712308,0.534102343,0.59255904,0.444382184,7.209633665,13.28965315,27.0561866,0.469423921,1.571043566,4.590998668,1.685688894,0.760508454,0.652390335,0.239539852,0.518481772,0.554173623,0.394230177,7.037196017,12.51246943,25.43523692,0.478585503,1.466885573 +UMLMON0214,L,Isopropylcyclopentane,CC(C)C1CCCC1,19751,,"Sandia, UML",[1],C8H16,PubChem,,76.2,0,-0.072,0.005184,30.5706,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1128.97815,1139.13879,763.833675,220.131072,21.337344,0,0,3399.790734,4147.41404,5230.324054,5541.161498,4751.042642,2643.963217,652.758633,0,0,146.842108,144.889944,255.179544,322.364184,315.175404,288.562176,141.087744,0,0,25.74688067,32.32302034,44.11934665,48.5654757,44.43265854,29.37664449,9.336871002,0,0,3476.407621,2904.481805,5640.598507,7489.775027,7320.251741,7257.819716,3883.270693,0,0,41.27777778,46,62.25,76.66666667,83,64,21,0,0,48.76541633,51.7541979,31.36050417,24.76388674,16.97408167,5.241216,1.016064,0,0,161.8947969,207.370702,145.2867793,120.4600326,105.5787254,62.95150517,31.08374443,0,0,6.992481333,7.2444972,7.088320667,7.007917043,7.003897867,6.870528,6.718464,0,0,1.226041937,1.616151017,1.225537407,1.055771211,0.987392412,0.699443916,0.444612905,0,0,165.54322,145.2240902,156.6832919,162.8211962,162.6722609,172.8052313,184.917652,0,0,1.965608466,2.3,1.729166667,1.666666667,1.844444444,1.523809524,1,0,0,0.048218982,-0.011098854,-0.015159625,0.012926323,-0.020047385,-0.010164244,0.019434295,0,0,564.9747087,-53.80711511,-121.066009,13.45177878,-322.8426907,-80.71067267,282.4873543,0,0,1050.594596,-100.0566282,-225.1274134,25.01415705,-600.3397692,-150.0849423,525.297298,0,0,0.110674667,-0.010540444,-0.023716,0.002635111,-0.063242667,-0.015810667,0.055337333,0,0,4.696646663,-0.447299682,-1.006424285,0.111824921,-2.683798093,-0.670949523,2.348323331,0,0,25.51225921,-2.429738973,-5.466912688,0.607434743,-14.57843384,-3.644608459,12.75612961,0,0,5.701058201,-1.249685059,-1.279856387,1.443184681,-0.859410431,-2.814814815,1.91005291,0,0,0.002296142,-5.55E-04,-4.21E-04,2.81E-04,-4.45E-04,-2.42E-04,9.25E-04,0,0,26.90355756,-2.690355756,-3.362944694,0.292429973,-7.174282015,-1.921682683,13.45177878,0,0,50.0283141,-5.00283141,-6.253539262,0.543786023,-13.34088376,-3.573451007,25.01415705,0,0,0.005270222,-5.27E-04,-6.59E-04,5.73E-05,-0.001405393,-3.76E-04,0.002635111,0,0,0.223649841,-0.022364984,-0.02795623,0.002430977,-0.059639958,-0.015974989,0.111824921,0,0,1.214869486,-0.121486949,-0.151858686,0.013205103,-0.323965196,-0.086776392,0.607434743,0,0,0.271478962,-0.062484253,-0.035551566,0.03137358,-0.01909801,-0.0670194,0.0909549,0,0,-0.241684843,-0.183394886,0.122382251,-0.194019991,-0.105396707,0.403042406,0,0,-0.1,-0.125,0.010869565,-0.266666667,-0.071428571,0.5,0,0,-0.1,-0.125,0.010869565,-0.266666667,-0.071428571,0.5,0,0,-0.1,-0.125,0.010869565,-0.266666667,-0.071428571,0.5,0,0,-0.1,-0.125,0.010869565,-0.266666667,-0.071428571,0.5,0,0,-0.1,-0.125,0.010869565,-0.266666667,-0.071428571,0.5,0,0,-0.230162413,-0.130955143,0.115565419,-0.070348028,-0.246867749,0.335034803,0,0,1.539690693,1.086925528,0.766555351,1.316786168,1.030762086,0.107996945,0,0,1.5,1.25,0.97826087,1.238095238,0.816326531,0,0,0,1.5,1.25,0.97826087,1.238095238,0.816326531,0,0,0,1.5,1.25,0.97826087,1.238095238,0.816326531,0,0,0,1.5,1.25,0.97826087,1.238095238,0.816326531,0,0,0,1.5,1.25,0.97826087,1.238095238,0.816326531,0,0,0,1.588399072,0.863495746,0.663068698,1.266821346,1.419953596,0,0,0,26.72904351,13.36452175,18.60058973,26.72904351,3.818434787,13.36452637,-1.78E-15,2.18E-16,3.12E-17,-25.24248141,4000004.229,571429.1756,10.64126418,26.72904351,13.36452175,18.60058973,26.72904351,3.818434787,13.36452637,-1.78E-15,2.18E-16,3.12E-17,-25.24248141,4000004.229,571429.1756,10.64126418,26.72904351,13.36452175,18.60058973,26.72904351,3.818434787,13.36452637,-1.78E-15,2.18E-16,3.12E-17,-25.24248141,4000004.229,571429.1756,10.64126418,26.72904351,13.36452175,18.60058973,26.72904351,3.818434787,13.36452637,-1.78E-15,2.18E-16,3.12E-17,-25.24248141,4000004.229,571429.1756,10.64126418,26.72904351,13.36452175,18.60058973,26.72904351,3.818434787,13.36452637,-1.78E-15,2.18E-16,3.12E-17,-25.24248141,4000004.229,571429.1756,10.64126418,26.72904351,13.36452175,18.60058973,26.72904351,3.818434787,13.36452637,-1.78E-15,2.18E-16,3.12E-17,-25.24248141,4000004.229,571429.1756,10.64126418,39.54460963,19.54214609,28.26792781,39.21581145,5.602258778,19.54214609,-0.46031746,2.18E-16,3.11E-17,-25.24463035,4000004.081,571429.1545,10.64126416,0,11.79,12.21004853,-0.305320986,0.114986176,5.445264183,8.439503344,6,20,19,19,5,1,1,0,0,1,15.304898,3.547390093,2.931120213,2.902564078,2.115165832,1.598026915,1.249634233,0.776467168,0.083923071,1.910006003,1.563026335,1.482274247,1.01872418,0.769718516,0.510587384,0.278570373,0.083923071,3.570751568,2.968691529,2.950308951,2.183239102,1.695309721,1.354859407,0.912490652,0.270913902,1.854797385,1.473453684,1.403779896,0.902237509,0.630337185,0.362244304,0.112403654,0.270913902,3.675321283,3.155598408,3.13435829,2.472637863,2.090117344,1.782273267,1.440651031,0.943918427,1.696563769,1.195492746,1.167333459,0.527926675,0.162386152,0.139710414,0.466463889,0.943918427,3.588059819,2.996427847,2.985267979,2.232970764,1.765276817,1.430635623,1.008838696,0.399277246,1.820004405,1.415133181,1.353243956,0.825324249,0.536857124,0.262451278,4.77E-04,0.399277246,3.727358623,3.252217518,3.214649707,2.60589124,2.26277616,1.968464033,1.660859844,1.207644823,1.648536776,1.104407163,1.092416112,0.401176885,0.004703131,0.320243509,0.682886931,1.207644823,3.605199068,3.156287251,2.988108839,2.279982127,1.779661437,1.528040687,1.080322791,0.525,1.884261535,1.393019689,1.175148491,0.737757397,0.487250586,0.167021548,0.101857046,0.525,0,0,1,1,0,2,2,1,0,0,0,0,0,0,0,0,0,0,0,0.204124145,0,0,0,0.166666667,0,0,0,0.612372436,0.612372436,0,0.451184464,0.402368927,0,5.698670613,3.346065215,2.090770275,1.732050808,0.866025404,0,0,0,0.814095802,0.557677536,0.348461713,0.288675135,0.288675135,0,0,0,5.276020882,2.972291767,1.812278497,1.382088123,0.622008468,0,0,0,0.753717269,0.495381961,0.302046416,0.230348021,0.207336156,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,36,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,5,1,0,2,0,0,0,0,0,0,0,0,2,1,2,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.730462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.370972222,0.300694444,0,0,1.228333333,0.290277778,0,0.671666667,0,0,0,0,0,0,0,0,4.380648148,3.702685185,2.472222222,0,2.027777778,0,0.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.027777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.370972222,0.300694444,0,0,0.225625,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.190324074,3.702685185,1.236111111,0,2.027777778,0,0.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.702685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.370972222,0.300694444,0,0,0.290277778,0.290277778,0,0.370972222,0,0,0,0,0,0,0,0,2.190324074,3.702685185,1.236111111,0,2.027777778,0,0.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.904761905,0.370972222,3.702685185,0.225625,0.75,5.148032778,0.583333333,0.702685185,2.222222222,0.583333333,0.702685185,2.222222222,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.77119,0.82446,7.12629,1.3551,0.19359,2.80805,0.40115,3.34606,0.53801,0.07686,0.06794,0.00971,0.06794,0.00971,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.163334789,2.987090042,2.987090042,2.777932069,2.036538274,19.28421252,45.43003057,62.72889087,62.72889087,58.33657345,42.76730376,0.209068641,0.492526969,0.680071533,0.680071533,0.632452485,0.463659175,3.474021589,2.228982634,1.405227381,1.405227381,1.614385354,2.355779148,0.209068641,0.492526969,0.680071533,0.680071533,0.632452485,0.463659175,6.73287657,16.18022255,17.01042371,17.01042371,14.50052804,7.902903534,27.64912502,18.09706317,17.5042243,17.5042243,16.24927647,10.90823646,7,4.166666667,2.666666667,7,2,5,2.23,1.0519,0.75,4.326748711,1.5,0,1.5,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.126,0.12,0.128,0.152,2.932,6,6,3,0,0,0,0,0,0,28,2.079441542,2.079441542,2.197224577,1.791759469,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,2,4,1,1.5,0.666666667,0.375,0,0,0,0,0,0,0,0.25,0.111111111,0.0625,0,0,0,0,0,0,0,0.423611111,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,0,126.9918924,3.807354922,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,66.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921535632,98.10955045,4.671883355,12.6691974,1.809885343,0,0,0,48,6,3.892,24,1.2236,2.129848229,2.894531609,3.578758676,4.229489673,4.771341247,0,0,0,0,73.7959167,75.2699829,79.26101336,65.18208888,22.68345899,4.847988073,0,0,0,0,278.2003652,333.5005957,370.8818543,394.4828883,270.1430327,148.3111519,0,0,0,0,8.897867644,15.15097843,20.33719819,25.11899554,29.0773906,32.0560844,0,0,0,0,2.110244062,2.756612791,3.193185255,3.647316347,2.989399595,2.121399892,0,0,0,0,175.6104775,329.8421515,467.4783828,578.064354,729.3993044,882.3052204,0,0,0,0,2.8785,3.801378227,4.965112392,6.699348515,6.416296247,4.771341247,0,0,0,0,0.43759575,0.581209488,0.679038788,0.783599443,0.661204676,0.488585344,0,0,0,0,343.4226773,152.0697133,10.33099164,166.7721987,-73.84777452,-10.29143214,176.6504786,225.9174878,20.62242378,0.673120593,0.298062016,0.020249109,0.326879407,-0.14474425,-0.020171571,175.2124903,77.58518852,5.270818997,85.08632123,-37.67675616,-5.250635946,0.128514142,0.231179423,3.280817455,4.347628099,510.194876,0,1,0,393.1393776,19.82774263,7.32569526,529.3948196,23.00858143,8.089590956,652.6598066,25.54720741,8.674190504,1.753336879,1.753336879,359.1755883,279.4534547,120.5561452,1.285278755,2.979322105,2.318035752,3.83470415,3.477616438,6.42424645,0.847313114,4.149594424,4.989941348,5.726601227,14.87635443,6.700515067,6.753964152,4.104710265,11.76738658,3.507818406,4.650545104,0.432299747,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348257413,4.864058411,0.276173894,6.054959862,0.831402585,1.331896054,0.496813641,0.454522192,0.958794784,0.069827714,0.003045791,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.124191339,4.872470626,1.026221199,7.14842574,1.242327106,2.21650612,1.168371198,1.818470789,1.138531705,0.436572805,0.0317311,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.916879296,4.97612067,5.264689086,14.08614207,6.062767089,6.343439849,3.860881111,10.74042362,3.23128551,4.169079295,0.385172027,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.656845653,4.883377081,1.648739244,8.109028847,1.758116171,2.88972402,1.648641907,3.035442501,1.363038683,0.857065013,0.068921561,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.011233796,5.048055332,7.582461871,18.08620765,9.377962295,8.363182977,5.033565037,15.94945141,4.668495213,6.661459351,0.630465068,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.28124299,3.4995522,2.37625634,8.296183758,2.52336245,3.86347984,2.126110298,4.257062243,1.769633586,1.414733312,0.119156448,0.310549595,2.21E-15,3.04E-51,8.05E-109,4.12E-188,4.06E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.594428345,1.483516543,0.576582255,0.635672666,0.262359081,0.528549318,0.368726342,0.405970873,5.654527144,8.260246829,16.98933768,0.453508999,1.303246533,2.64020713,1.023769197,0.20804171,0.6818685,0.26440197,0.287195656,0.179204036,0.053249872,3.872018037,3.465222635,7.899569661,0.52280275,0.519649565,3.018537462,1.206866166,0.354569168,0.65907323,0.263509462,0.373999745,0.246797082,0.154260316,4.579972796,5.141168582,11.01282648,0.488609844,0.775057143,3.570747054,1.472178132,0.567472054,0.636451734,0.262401764,0.521659675,0.36326197,0.393323198,5.61039724,8.118494842,16.7119654,0.454677602,1.278244843,3.187482493,1.288244387,0.419810491,0.651099614,0.263146676,0.416531105,0.280193502,0.215958714,4.895537371,5.98521353,12.60460043,0.476649421,0.912683321,3.668582515,1.519003286,0.605100288,0.633312846,0.262227792,0.550419885,0.386086358,0.446838142,5.792686088,8.711598554,17.87625978,0.44996927,1.383344386,3.57329554,1.480807413,0.566801329,0.635715422,0.263446474,0.522683085,0.368113921,0.391866986,5.620904281,8.156034792,16.77609038,0.453573134,1.282663992 +UMLMON0215,L,3-Ethyl-1-Pentene,CCC(CC)C=C,19951,,"Sandia, UML",[1],C7H14,PubChem,,81.6,0,0.9262,0.85784644,29.3132,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,803.11258,630.655707,447.02213,264.404617,81.787104,9.144576,0,2914.106344,3494.423905,4007.996657,3488.939862,2627.961878,1798.067638,968.1733981,279.7536999,0,125.864664,123.114164,212.027152,236.881452,187.832648,145.502308,103.171968,60.466176,0,22.06875486,27.30703172,34.75630082,32.18367113,24.72029948,17.70154074,10.682782,4.001516144,0,2979.777961,2471.442353,4742.724499,5635.903716,4494.988761,3538.991458,2582.994154,1664.258868,0,32.5,38.25,53,53.5,42,31.5,21,9,0,48.76541633,50.97680359,26.77041933,18.54869726,16.55637519,12.59069605,5.4524736,1.016064,0,161.8947969,205.5543474,133.5998886,102.6158783,97.33192139,85.62226847,64.54489321,31.08374443,0,6.992481333,7.242009647,7.067571733,6.967101529,6.956764741,6.928681333,6.8781312,6.718464,0,1.226041937,1.606295984,1.158543361,0.946578563,0.915566648,0.842930512,0.712185467,0.444612905,0,165.54322,145.3789619,158.0908166,165.761874,166.4810652,168.5234028,172.1996103,184.917652,0,1.805555556,2.25,1.766666667,1.573529412,1.555555556,1.5,1.4,1,0,0.040002738,-0.00278122,-0.020139622,-0.001100626,4.31E-04,-0.00173934,-2.93E-04,0.00562097,0,484.264036,-53.80711511,-161.4213453,-26.90355756,-40.35533633,-40.35533633,-40.35533633,121.066009,0,900.5096538,-100.0566282,-300.1698846,-50.0283141,-75.04247115,-75.04247115,-75.04247115,225.1274134,0,0.094864,-0.010540444,-0.031621333,-0.005270222,-0.007905333,-0.007905333,-0.007905333,0.023716,0,4.025697139,-0.447299682,-1.341899046,-0.223649841,-0.335474762,-0.335474762,-0.335474762,1.006424285,0,21.86765075,-2.429738973,-7.289216918,-1.214869486,-1.822304229,-1.822304229,-1.822304229,5.466912688,0,3.111111111,-0.438271605,-0.87962963,-0.237654321,-0.166666667,-0.018518519,-0.509259259,0.694444444,0,0.002222374,-1.64E-04,-6.71E-04,-3.24E-05,1.60E-05,-8.28E-05,-1.95E-05,6.25E-04,0,26.90355756,-3.165124418,-5.380711511,-0.791281105,-1.494642086,-1.921682683,-2.690355756,13.45177878,0,50.0283141,-5.885684011,-10.00566282,-1.471421003,-2.779350783,-3.573451007,-5.00283141,25.01415705,0,0.005270222,-6.20E-04,-0.001054044,-1.55E-04,-2.93E-04,-3.76E-04,-5.27E-04,0.002635111,0,0.223649841,-0.026311746,-0.044729968,-0.006577937,-0.012424991,-0.015974989,-0.022364984,0.111824921,0,1.214869486,-0.142925822,-0.242973897,-0.035731455,-0.067492749,-0.086776392,-0.121486949,0.607434743,0,0.172839506,-0.025780683,-0.029320988,-0.006989833,-0.00617284,-8.82E-04,-0.033950617,0.077160494,0,-0.073615485,-0.302073659,-0.014566106,0.007186887,-0.037269021,-0.008782605,0.281029244,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.149159664,-0.169642857,-0.040441176,-0.035714286,-0.005102041,-0.196428571,0.446428571,0,1.360986915,1.377599631,1.010757438,0.960329614,0.903051764,0.61620132,0.003719356,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.526785714,1.161160714,0.944196429,0.936011905,0.878188776,1.092857143,0,0,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,24.51389036,12.20138963,20.14622415,24.43981629,4.073302715,12.20140297,-0.111111111,0.186385835,0.031064306,-1.007961824,40.95256977,6.825428295,2.227448737,0,11.89,12.11007471,-0.181125823,0.043355217,5.090583876,6.867637229,5,17,16,16,4,1,1,0,0,1,13.118484,3.481399334,3.049930099,2.428688263,1.891521341,1.331311296,0.765847009,0.083923071,0.083923071,1.863783038,1.611524163,1.239148958,0.863568446,0.602169637,0.264964675,0.083923071,0.083923071,3.505841441,3.088836534,2.489259763,1.967536665,1.439322469,0.900454728,0.270913902,0.270913902,1.805414244,1.532245906,1.133409581,0.741875589,0.454381641,0.09844123,0.270913902,0.270913902,3.615755954,3.258909237,2.747078453,2.284983883,1.873215159,1.426223898,0.943918427,0.943918427,1.638161172,1.292529721,0.79650392,0.344649558,0.048210994,0.480977355,0.943918427,0.943918427,3.523980836,3.11746945,2.533503899,2.022738466,1.516763663,0.996044729,0.399277246,0.399277246,1.768615858,1.481153979,1.063829824,0.661089052,0.354796896,0.014648039,0.399277246,0.399277246,3.670672848,3.340669691,2.86633473,2.428306665,2.060498847,1.646329442,1.207644823,1.207644823,1.587536355,1.216048922,0.683298907,0.207422135,0.230283037,0.697079997,1.207644823,1.207644823,3.551518429,3.152426137,2.604035092,2.094515748,1.568267128,1.124870062,0.545454545,0.545454545,1.76090306,1.401965688,0.980750265,0.562223677,0.269870672,0.152808039,0.545454545,0.545454545,0,0,0,2,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.568914101,2.526038674,1.357710728,0.691044062,0.333333333,0.166666667,0,0,0.761485683,0.505207735,0.339427682,0.230348021,0.166666667,0.166666667,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,2,0,2,0,0,0,0,0,0,0,0,2,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.650416667,0,0,0.759305556,0.580555556,0,0.650416667,0,0,0,0,0,0,0,0,4.231805556,0,2.500833333,0,4.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.225625,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.05125,0,1.232638889,0,2.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.334097222,0,0,0.290277778,0.290277778,0,0.334097222,0,0,0,0,0,0,0,0,2.180555556,0,1.268194444,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.334097222,2.180555556,0.225625,1.232638889,4.228402778,0.267361111,0.180555556,0.998333333,0.267361111,0.180555556,0.998333333,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.33333,0,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.28976,0.71496,5.31294,1.02318,0.17053,2.31066,0.38511,2.91421,0.60355,0.10059,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.102187171,3.308270835,3.419381946,3.419381946,2.775772918,16.52932501,37.83936908,59.54887502,61.54887502,61.54887502,49.96391252,0.220218789,0.504130691,0.793364589,0.820010419,0.820010419,0.66566495,3.251629167,2.06773783,0.861654167,0.750543056,0.750543056,1.394152084,0.220218789,0.504130691,0.793364589,0.820010419,0.820010419,0.66566495,6.73287657,16.17613249,18.61300657,18.72498713,18.72498713,12.98339237,23.69925001,15.20198837,13.03809584,12.79699306,12.79699306,10.42172153,6,5,5.333333333,6,2,6,2.12,0.911,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,2.708,4,3,2,1,0,0,0,0,0,21,1.945910149,1.945910149,1.791759469,1.609437912,1.098612289,0,0,0,0,0,3.401197382,1.380952381,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,109.6959078,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,84.09390038,4.671883355,10.83915043,1.806525072,0,0,0,35,3,3.343,18,1.206395782,2.097553763,2.898257973,3.689405455,5.016540125,5.995890107,7.182270611,0,0,0,71.97748763,64.20364479,65.33105778,77.59605585,73.51480026,36.07269026,7.297646606,0,0,0,272.4643847,304.0451546,327.7836943,417.4135257,464.6140044,412.499322,223.2518641,0,0,0,8.770262142,14.88187247,20.25051477,25.84346758,34.85977191,41.36217491,48.25382654,0,0,0,2.070674696,2.577931061,2.920677265,3.76781038,4.459550444,4.474058815,3.1933302,0,0,0,173.2968935,327.4376415,476.4046369,600.814316,837.7583137,1022.799613,1328.128618,0,0,0,2.817117478,3.849517494,4.731401927,6.177891918,7.810654027,8.699020329,7.182270611,0,0,0,0.429537557,0.54586211,0.62501409,0.807239272,0.965561438,0.985929865,0.735464511,0,0,0,311.4784396,117.9067907,9.21114256,105.2271878,-39.83261257,-6.736835299,206.2512518,157.7394033,15.94797786,0.747478362,0.28294984,0.022104675,0.252521638,-0.095589332,-0.016166893,129.7948186,49.13242321,3.83833494,43.84876131,-16.59847381,-2.80727718,0.150280215,0.240483033,2.250690678,2.162979989,416.7056274,0,1,0,332.8277466,18.24356727,6.930105427,453.1341052,21.28694683,7.680843511,469.5352153,21.66876128,7.77241635,2.272147522,2.272147522,438.4402201,421.8856898,29.22307159,1.039239374,15.00322164,14.43673327,3.621397168,4.500066863,7.773558401,0.727431756,4.957136514,3.968148321,2.315921924,14.84898268,5.77585634,2.571950076,2.916525629,6.167776386,5.619225274,0.840525564,0.870175036,1.679843907,4.008535319,0.005193109,0.011855284,2.41E-23,9.44E-66,7.13E-130,1.04E-215,3.0E-323,0,0,0,0,0,0,0,0,0,0,0.41602589,3.963401242,0.190803218,4.101263048,0.047945946,0.085856271,0.592747353,0.205421269,2.141078026,0.026141388,0.028738664,0.189483265,0.149651734,3.67E-05,8.35E-05,1.70E-25,6.65E-68,5.03E-132,7.33E-218,0,0,0,0,0,0,0,0,0,0,0,1.342963382,3.963718559,0.618279236,4.886894986,0.442583238,0.361974217,1.066740556,0.868840704,2.618123813,0.11364276,0.121923025,0.492295801,0.606153455,3.82E-04,8.70E-04,1.77E-24,6.93E-67,5.24E-131,7.63E-217,0,0,0,0,0,0,0,0,0,0,0,4.679132976,3.967627172,2.18359282,13.69283808,5.151187166,2.33791036,2.77414549,5.606911319,5.323896842,0.762816845,0.790867178,1.58810917,3.655137182,0.004627071,0.010562845,2.15E-23,8.41E-66,6.36E-130,9.27E-216,3.0E-323,0,0,0,0,0,0,0,0,0,0,1.97927691,3.96412988,0.913600507,5.844332423,0.943469692,0.620212184,1.39222283,1.48863988,3.01475903,0.19708681,0.209220447,0.70058335,1.017861384,8.28E-04,0.001889997,3.84E-24,1.50E-66,1.14E-130,1.66E-216,0,0,0,0,0,0,0,0,0,0,0,5.986458486,3.970339661,2.808410007,19.69530823,8.399843588,3.531420196,3.443831561,8.466784739,6.806251122,1.159870624,1.195376294,2.020059433,5.450035989,0.007573166,0.017289818,3.51E-23,1.38E-65,1.04E-129,1.52E-215,4.0E-323,0,0,0,0,0,0,0,0,0,0,2.717216901,3.653271849,1.286422545,7.191133095,1.745273522,0.895642134,1.845399679,2.16436266,3.618767776,0.289219199,0.346334747,1.028537761,1.662507005,0.001545645,0.003527192,7.17E-24,2.81E-66,2.12E-130,3.09E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,6.245792872,0.74998761,0.349171643,0.850351747,0.102109258,0.578640438,0.513132638,0.444431315,7.344952125,7.126995433,16.10756085,0.775527621,1.536204391,4.953122965,0.272263086,0.0752759,0.934434795,0.051363978,0.364519486,0.067934394,0.020655639,5.300661951,1.741898181,7.144073638,0.901652193,0.45310952,5.466117155,0.462412098,0.184058399,0.894239472,0.075649156,0.443547942,0.195809639,0.123491765,6.112587652,3.618794305,10.19660773,0.841359208,0.762849347,6.213752006,0.738198498,0.342390756,0.851859241,0.10120153,0.572732286,0.497226623,0.427337279,7.29434126,6.967265984,15.83214761,0.777788861,1.497296189,5.694966647,0.546982473,0.232547236,0.879599946,0.084482629,0.481324987,0.273747886,0.197128348,6.474496356,4.566594956,11.76548687,0.819399919,0.952201221,6.346114768,0.786885673,0.370400789,0.845765084,0.104870531,0.597336992,0.564502372,0.500115743,7.50340123,7.63573578,16.98879513,0.768647625,1.661955107,6.225369953,0.737536416,0.342298185,0.852182839,0.100960406,0.574869953,0.496291497,0.427106236,7.305204554,6.974827256,15.85167238,0.778274258,1.498267687 +UMLMON0216,L,2-hexene,CCCC=CC,19966, (trans) reported,UML,[1],C6H12,PubChem,,80.8,0,1.6868,2.84529424,36.2318,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,2033.932332,1482.11583,659.19605,169.670592,18.289152,0,0,3885.475125,5223.921076,8208.886547,8619.853418,5539.791773,2122.849263,559.5073998,0,0,167.819552,174.20624,341.930928,475.0278,569.654984,246.65472,120.932352,0,0,29.42500648,40.12790896,65.5272183,77.30135745,58.98366183,24.03324144,8.003032287,0,0,3973.037281,3464.315612,7415.485242,10450.98769,14405.24581,6275.494221,3328.517736,0,0,38.09027778,46,76.875,110.75,104.25,48,18,0,0,48.76541633,56.15943233,42.37359025,22.12113179,7.942121084,4.713072,1.016064,0,0,161.8947969,217.6633782,171.0184697,128.6545286,66.74447919,58.96803508,31.08374443,0,0,6.992481333,7.258593333,7.123561,7.089967164,6.86331306,6.85152,6.718464,0,0,1.226041937,1.671996207,1.365150381,1.153751604,0.710646528,0.66759004,0.444612905,0,0,165.54322,144.3464838,154.4892759,155.984891,173.5571785,174.3192839,184.917652,0,0,1.587094907,1.916666667,1.6015625,1.652985075,1.256024096,1.333333333,1,0,0,0.031154203,-0.005228525,0.011151884,-0.040279448,0.010549347,-0.001601147,0.009830787,0,0,645.6853813,6.32E-13,161.4213453,-874.3656206,147.9695666,-6.15E-13,242.132018,0,0,1200.679538,-5.68E-14,300.1698846,-1625.920208,275.1557275,1.42E-13,450.2548269,0,0,0.126485333,2.94E-15,0.031621333,-0.171282222,0.028986222,-2.21E-15,0.047432,0,0,5.367596186,1.20E-14,1.341899046,-7.268619835,1.230074126,-8.91E-15,2.01284857,0,0,29.15686767,-1.15E-13,7.289216918,-39.48325831,6.681782175,8.42E-14,10.93382538,0,0,2.84693287,-1.563368056,1.945023148,-3.332236208,1.646255305,-0.926649306,0.807508681,0,0,0.001298092,-2.18E-04,2.32E-04,-6.01E-04,1.27E-04,-4.45E-05,5.46E-04,0,0,26.90355756,2.63E-14,3.362944694,-13.05023314,1.782765862,-1.71E-14,13.45177878,0,0,50.0283141,-2.37E-15,6.253539262,-24.26746579,3.315129247,3.95E-15,25.01415705,0,0,0.005270222,1.22E-16,6.59E-04,-0.002556451,3.49E-04,-6.14E-17,0.002635111,0,0,0.223649841,5.02E-16,0.02795623,-0.108486863,0.01482017,-2.47E-16,0.111824921,0,0,1.214869486,-4.81E-15,0.151858686,-0.589302363,0.0805034,2.34E-15,0.607434743,0,0,0.118622203,-0.065140336,0.040521316,-0.049734869,0.019834401,-0.025740258,0.044861593,0,0,-0.16782727,0.178978798,-0.463130414,0.09791339,-0.034262827,0.420736683,0,0,9.79E-16,0.125,-0.485074627,0.06626506,-6.35E-16,0.5,0,0,-4.73E-17,0.125,-0.485074627,0.06626506,7.89E-17,0.5,0,0,2.32E-14,0.125,-0.485074627,0.06626506,-1.16E-14,0.5,0,0,2.24E-15,0.125,-0.485074627,0.06626506,-1.11E-15,0.5,0,0,-3.96E-15,0.125,-0.485074627,0.06626506,1.92E-15,0.5,0,0,-0.549141173,0.341599756,-0.419271161,0.167206482,-0.216993597,0.37818884,0,0,1.606192706,0.874208167,1.63389623,0.653415419,0.882900482,2.44E-05,0,0,1.4375,1.078125,1.609141791,0.675451807,0.71875,0,0,0,1.4375,1.078125,1.609141791,0.675451807,0.71875,0,0,0,1.4375,1.078125,1.609141791,0.675451807,0.71875,0,0,0,1.4375,1.078125,1.609141791,0.675451807,0.71875,0,0,0,1.4375,1.078125,1.609141791,0.675451807,0.71875,0,0,0,2.080495985,0.462851916,1.649603391,0.540416366,1.346478301,0,0,0,29.86036965,14.93018483,21.57405184,29.86036965,3.732546206,14.93018587,-1.60E-14,0.038722865,0.004840358,-2.601060022,40.70521371,5.088151714,2.965084948,29.86036965,14.93018483,21.57405184,29.86036965,3.732546206,14.93018587,-1.60E-14,0.038722865,0.004840358,-2.601060022,40.70521371,5.088151714,2.965084948,29.86036965,14.93018483,21.57405184,29.86036965,3.732546206,14.93018587,-1.60E-14,0.038722865,0.004840358,-2.601060022,40.70521371,5.088151714,2.965084948,29.86036965,14.93018483,21.57405184,29.86036965,3.732546206,14.93018587,-1.60E-14,0.038722865,0.004840358,-2.601060022,40.70521371,5.088151714,2.965084948,29.86036965,14.93018483,21.57405184,29.86036965,3.732546206,14.93018587,-1.60E-14,0.038722865,0.004840358,-2.601060022,40.70521371,5.088151714,2.965084948,29.86036965,14.93018483,21.57405184,29.86036965,3.732546206,14.93018587,-1.60E-14,0.038722865,0.004840358,-2.601060022,40.70521371,5.088151714,2.965084948,37.09383279,18.41748931,26.98705824,36.89969217,4.612461521,18.41748934,-0.258854167,0.031668791,0.003958599,-2.761938871,38.55196236,4.818995295,2.921605602,0,11.89,12.11011416,-0.157931538,0.06361414,5.97336841,9.025069321,8,24,24,24,8,0,0,0,0,0,17.491312,3.718740244,3.036513415,2.585026848,2.333552793,2.195395208,1.752860843,0.951765032,0.441179822,1.867888509,1.79476291,1.305504772,1.249629723,1.114836607,0.72187647,0.373073722,0.083923071,3.739362132,3.072744486,2.636119762,2.405454588,2.263223408,1.833339419,1.076585575,0.551150006,1.8126961,1.732108906,1.20244077,1.134540686,1.000818799,0.583583375,0.215393425,0.270913902,3.831193928,3.235043603,2.859956374,2.704236987,2.547944367,2.170883467,1.568028695,0.964951926,1.655971806,1.548873378,0.876599353,0.76031856,0.631463018,0.124709542,0.323125299,0.943918427,3.754612348,3.099635125,2.67379775,2.457539916,2.312537357,1.891880787,1.165445797,0.628327402,1.778029933,1.692286286,1.134813336,1.058262671,0.925334758,0.491172469,0.10893631,0.399277246,3.876680629,3.31502144,2.96690002,2.838982085,2.677660225,2.323809754,1.775799502,1.207644823,1.608967246,1.492207126,0.76810118,0.631337262,0.504944255,0.036211035,0.518371414,1.129634726,3.723504927,3.191487261,2.755265126,2.676024434,2.401401933,1.965585773,1.280893307,0.669069254,1.765581202,1.680445531,0.985554877,0.84162953,0.772529863,0.369584254,0.032348019,0.611464968,0,0,0,0,0,3,3,1,1,0,0,0.102062073,0.306186218,0.306186218,0,0,0.102062073,0.306186218,0.306186218,1.495781916,0.25,0,0,1.495781916,0.25,0,0,1.444814383,2.309822465,1.861881719,1.444814383,2.309822465,1.861881719,6.198670613,3.600953631,4.012184558,2.214961113,1.784584057,0.90104757,0,0,0.774833827,0.450119204,0.334348713,0.201360101,0.137275697,0.112630946,0,0,6.198670613,3.600953631,4.012184558,2.214961113,1.784584057,0.90104757,0,0,0.774833827,0.450119204,0.334348713,0.201360101,0.137275697,0.112630946,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,26.29160388,35.80022838,52.58320775,6.572900969,26.29160388,0.114256157,0.01428202,-1.735449891,60.65428433,7.581785541,3.284152218,49,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,7.098958333,0,4.327546296,0,0,0,0.990740741,0,0,0,0,0,0.666087963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.355902778,0,1.4375,0,0,0,0.990740741,0,0,0,0,0,0.666087963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.371527778,0,1.451388889,0,0,0,0.990740741,0,0,0,0,0,0.666087963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.08333333,1.635416667,0.2,2.371527778,0,0.666087963,5.736883681,0.583912037,0.371527778,2.197916667,0.583912037,0.371527778,2.197916667,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.375,0.125,0.125,4,0.5,4,0.5,0,0,-4,-0.5,0,0,9.00618,1.12577,9.00618,0,0,3.60095,0.45012,3.60095,0,0,0.31305,0.03913,0.39905,0.04988,0.208333333,8,0,0,0,0,0,0,1,0.918295834,1.522055209,2.666666667,3.40726823,3.240601563,3.29248125,22.03910002,36.52932501,64,81.77443751,77.77443751,79.01955001,0.200284263,0.331966774,0.581611445,0.743139825,0.706789109,0.718104292,3.666666667,3.062907292,1.918295834,1.177694271,1.344360938,1.29248125,0.200284263,0.331966774,0.581611445,0.743139825,0.706789109,0.718104292,6.73287657,13.97798907,18.57108885,19.31748564,17.31748564,19.20180045,31.59900002,22.03208126,18.42919792,16.57092761,19.15589011,16.90739375,6.125,1.75,1.487603306,0,0,0,2.34,1.1272,0.944940787,3.931112091,1.44224957,2.080083823,1.889881575,2.381101578,2.381101578,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.14,0.131,0.159,0.212,3.482,12,11,13,8,0,0,0,0,0,60,2.197224577,2.564949357,2.48490665,2.63905733,2.197224577,0,0,0,0,0,4.110873864,1,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.375,0,2,4,1,3.5,1.111111111,0.916666667,0,0,0,0,0,0,0,0.4375,0.092592593,0.152777778,0,0,0,0,0,0,0,0.68287037,14.93018483,21.57405184,29.86036965,3.732546206,14.93018587,0.038722865,0.004840358,-2.601060022,40.70521371,5.088151714,2.965084948,0,134.567877,4,3.713572067,4.465908119,5.361292166,6.137727054,7.027314514,7.816416984,8.697679732,9.495744853,10.36951454,79.08517002,2.833213344,0,4.17438727,2.397895273,5.659482216,4.727387819,7.204149292,6.762729507,8.782169426,9.129238771,112.1252005,4.671883355,15.24302953,1.905378692,0,0,0,58,6,4.467,40,1.331436567,2.357346344,3.343483618,4.020476117,5.064457466,6.075191816,0,0,0,0,94.01800751,119.9866651,84.36009306,38.42058896,26.48404788,6.172783697,0,0,0,0,334.770918,457.7763755,459.6521048,293.5688699,318.3636752,188.8397098,0,0,0,0,9.725938808,16.90531792,23.77122936,27.67792768,34.79334218,40.81595751,0,0,0,0,2.47012952,3.543087303,4.036972366,3.031473533,3.538693177,2.701108681,0,0,0,0,188.3541604,356.2510011,516.7957575,691.3339664,875.336369,1123.410206,0,0,0,0,2.592059654,3.996474107,5.655831504,5.220777641,6.988376752,6.075191816,0,0,0,0,0.509638069,0.73845747,0.858799173,0.664666183,0.783331738,0.622099642,0,0,0,0,334.6844683,134.8296891,8.34438648,36.13450053,-14.55700498,-2.074164651,298.5499677,149.3866941,10.41855113,0.902554876,0.363599763,0.022502588,0.097445124,-0.039256366,-0.00559347,124.1073494,49.99740627,3.09425679,13.39935822,-5.398013576,-0.769139597,0.074046213,0.154888033,1.372689159,1.514887146,370.8189688,0,1,0,402.4237007,20.06050101,7.38291469,557.416278,23.60966493,8.229874559,675.8948421,25.99797765,8.77592785,1.389700698,1.389700698,500.8199389,493.5002317,161.2088199,1.014832227,3.106653465,3.061248336,4.375166421,4.399631957,7.72856719,0.75663948,4.462408855,4.441407752,3.342998989,8.83214446,9.851421707,13.72886432,9.290755044,12.06501528,8.363047528,1.488904907,4.451047314,1.959888622,3.334641687,0.005387436,6.31E-04,1.43E-26,6.23E-71,5.24E-137,8.51E-225,0,0,0,0,0,0,0,0,0,0,0,0.374499053,4.441098785,0.778248746,3.363500826,1.177541304,2.536611138,0.676435646,0.359110856,0.450699632,0.061248561,0.91558695,0.015627362,0.057043502,3.79E-05,4.45E-06,1.01E-28,4.39E-73,3.69E-139,5.99E-227,0,0,0,0,0,0,0,0,0,0,0,1.208928595,4.441120061,1.122437269,4.163334849,2.154109761,4.094640276,1.609789719,1.465735564,1.414900101,0.239694803,1.306917984,0.148530188,0.33095915,3.95E-04,4.63E-05,1.05E-27,4.57E-72,3.85E-138,6.24E-226,0,0,0,0,0,0,0,0,0,0,0,4.212149946,4.441374053,3.122545209,8.385414598,9.039537825,12.78665386,8.471530608,10.89457607,7.648400035,1.361540169,4.117748516,1.747481206,2.994211931,0.004800109,5.63E-04,1.27E-26,5.55E-71,4.67E-137,7.58E-225,0,0,0,0,0,0,0,0,0,0,0,1.781738316,4.441147075,1.411959189,4.806351259,3.060235201,5.379905678,2.495471221,2.606288593,2.270052773,0.395735345,1.67363682,0.318139697,0.636310592,8.59E-04,1.01E-04,2.28E-27,9.93E-72,8.36E-138,1.36E-225,0,0,0,0,0,0,0,0,0,0,0,5.389004952,4.441549311,4.231273289,10.61328741,13.17637492,17.50928237,12.65536175,16.91389444,11.27050759,2.005856046,5.817789008,2.852364941,4.753806746,0.00785707,9.21E-04,2.08E-26,9.09E-71,7.65E-137,1.24E-224,0,0,0,0,0,0,0,0,0,0,0,2.954542274,3.978065834,1.655263728,5.434751618,4.804109624,7.741113927,4.453230992,5.208151997,4.282450682,0.624714195,3.016985545,0.741650796,1.409986199,0.002014305,2.36E-04,5.34E-27,2.33E-71,1.96E-137,3.18E-225,0,0,0,0,0,0,0,0,0,0,0,4.633046726,1.306010478,1.237364962,0.645592834,0.181986295,0.501808713,0.477286467,0.408950174,7.176422165,13.39958886,28.0630683,0.468389251,1.388045354,3.715157203,0.751714654,0.688178623,0.720682992,0.145821007,0.324349326,0.1389873,0.143473041,5.155050479,5.866743832,12.94369698,0.581024488,0.606809666,4.079420968,0.963006051,0.915446683,0.684710884,0.161635862,0.390166166,0.244070327,0.251997114,5.957873702,8.544580165,18.09879264,0.527066326,0.886233607,4.610294553,1.29155448,1.224529665,0.646933702,0.181235735,0.496944282,0.466666824,0.402032855,7.126378698,13.1814358,27.59921098,0.470400553,1.365643961,4.241917671,1.061129251,1.012678134,0.671643815,0.168013845,0.421481607,0.306605374,0.299153074,6.315725056,9.87150258,20.74551766,0.507465723,1.027240055,4.704285893,1.351369527,1.277439482,0.641514389,0.184283654,0.517192993,0.511170914,0.431234886,7.333094902,14.09296192,29.54703164,0.462271583,1.459598793,4.630683404,1.295734937,1.225257239,0.64749629,0.181179211,0.501278259,0.470126298,0.398628266,7.15167558,13.26152524,27.76491367,0.471244435,1.370032824 +UMLMON0217,L,"1,1,3-Trimethylcyclopentane",CC1CCC(C1)(C)C,20615,"Co-optima values predicted should not be used, Sandia MON averaged between co -optima database and UML value (should use UML MON value and sensitivity)","Sandia, UML",[9],C8H16,PubChem,,83.5,0,1.5036,2.26081296,36.2302,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1322.686687,1104.854525,852.728356,646.827051,438.979298,129.199392,12.192768,3885.475125,4800.404174,6143.871166,6181.357888,5014.563501,3728.011456,2637.560239,1396.036119,373.0049332,167.819552,166.665724,297.909052,385.60082,394.224016,270.87294,207.588872,124.924032,80.621568,29.42500648,37.33900896,51.8070368,56.2430874,48.09871206,35.07566706,25.38520679,14.69234634,5.335354858,3973.037281,3337.521256,6564.800706,8926.001252,9671.910895,6528.696872,5081.536821,3010.566693,2219.011824,45.52777778,51.16666667,72.41666667,89.16666667,81.83333333,61.33333333,50.66666667,34,12,48.76541633,52.3287937,31.49254017,20.08826409,14.9601466,16.585309,14.63264327,7.177744,1.016064,161.8947969,208.713225,146.2826468,112.3883252,87.97479826,95.59003733,87.91867463,77.55756218,31.08374443,6.992481333,7.246335826,7.093072667,7.010924,6.916210807,6.94546,6.919629067,6.940224,6.718464,1.226041937,1.623435172,1.233500876,1.022601589,0.843837054,0.899376078,0.84617356,0.816241463,0.444612905,165.54322,145.1096198,156.3047787,162.2909319,169.6826473,167.4024839,169.3845607,167.2537052,184.917652,1.896990741,2.224637681,1.724206349,1.621212121,1.435672515,1.572649573,1.688888889,1.888888889,1,0.052813749,-0.008723303,-0.016694825,-0.010269392,0.004584103,0.005469259,0.001001001,-0.016598682,0.014824965,645.6853813,-53.80711511,-161.4213453,-269.0355756,121.066009,-2.74E-13,40.35533633,-161.4213453,161.4213453,1200.679538,-100.0566282,-300.1698846,-500.283141,225.1274134,1.42E-13,75.04247115,-300.1698846,300.1698846,0.126485333,-0.010540444,-0.031621333,-0.052702222,0.023716,-7.38E-16,0.007905333,-0.031621333,0.031621333,5.367596186,-0.447299682,-1.341899046,-2.236498411,1.006424285,-2.69E-15,0.335474762,-1.341899046,1.341899046,29.15686767,-2.429738973,-7.289216918,-12.14869486,5.466912688,2.73E-14,1.822304229,-7.289216918,7.289216918,5.915509259,-1.230372299,-0.223668981,-1.843412423,0.547887731,0.228732639,1.686631944,-3.096354167,0.972800926,0.002200573,-3.79E-04,-3.97E-04,-1.87E-04,8.04E-05,1.40E-04,3.34E-05,-9.22E-04,0.001235414,26.90355756,-2.339439787,-3.843365365,-4.891555919,2.12396507,-7.01E-15,1.345177878,-8.967852519,13.45177878,50.0283141,-4.350288182,-7.146902014,-9.096057109,3.949603745,3.64E-15,2.501415705,-16.6761047,25.01415705,0.005270222,-4.58E-04,-7.53E-04,-9.58E-04,4.16E-04,-1.89E-17,2.64E-04,-0.001756741,0.002635111,0.223649841,-0.019447812,-0.031949977,-0.040663607,0.017656566,-6.90E-17,0.011182492,-0.074549947,0.111824921,1.214869486,-0.105640825,-0.173552784,-0.220885361,0.095910749,7.00E-16,0.060743474,-0.404956495,0.607434743,0.246479552,-0.053494448,-0.005325452,-0.03351659,0.009612065,0.005864939,0.056221065,-0.172019676,0.081066744,-0.172352407,-0.180632883,-0.084848913,0.036546325,0.063727682,0.015162727,-0.419049522,0.561405507,-0.086956522,-0.142857143,-0.181818182,0.078947368,-2.61E-16,0.05,-0.333333333,0.5,-0.086956522,-0.142857143,-0.181818182,0.078947368,7.28E-17,0.05,-0.333333333,0.5,-0.086956522,-0.142857143,-0.181818182,0.078947368,-3.59E-15,0.05,-0.333333333,0.5,-0.086956522,-0.142857143,-0.181818182,0.078947368,-3.09E-16,0.05,-0.333333333,0.5,-0.086956522,-0.142857143,-0.181818182,0.078947368,5.76E-16,0.05,-0.333333333,0.5,-0.217034019,-0.02160606,-0.135981217,0.038997415,0.023794832,0.228096263,-0.697906476,0.328898454,1.483126968,1.138128222,0.964133334,0.702550048,0.809001857,1.101197786,1.893586419,0.1952039,1.5,1.283482143,1.176136364,0.756578947,0.884615385,0.790625,1.197916667,0,1.5,1.283482143,1.176136364,0.756578947,0.884615385,0.790625,1.197916667,0,1.5,1.283482143,1.176136364,0.756578947,0.884615385,0.790625,1.197916667,0,1.5,1.283482143,1.176136364,0.756578947,0.884615385,0.790625,1.197916667,0,1.5,1.283482143,1.176136364,0.756578947,0.884615385,0.790625,1.197916667,0,1.587164938,0.759873662,0.945511464,0.679277925,0.891711693,0.921620035,3.024065741,0,38.8991452,19.4495726,31.19292295,38.8991452,4.862393151,19.44957261,1.07E-14,0.014183312,0.001772914,-3.404551378,31.00644972,3.875806215,2.747356191,38.8991452,19.4495726,31.19292295,38.8991452,4.862393151,19.44957261,1.07E-14,0.014183312,0.001772914,-3.404551378,31.00644972,3.875806215,2.747356191,38.8991452,19.4495726,31.19292295,38.8991452,4.862393151,19.44957261,1.07E-14,0.014183312,0.001772914,-3.404551378,31.00644972,3.875806215,2.747356191,38.8991452,19.4495726,31.19292295,38.8991452,4.862393151,19.44957261,1.07E-14,0.014183312,0.001772914,-3.404551378,31.00644972,3.875806215,2.747356191,38.8991452,19.4495726,31.19292295,38.8991452,4.862393151,19.44957261,1.07E-14,0.014183312,0.001772914,-3.404551378,31.00644972,3.875806215,2.747356191,38.8991452,19.4495726,31.19292295,38.8991452,4.862393151,19.44957261,1.07E-14,0.014183312,0.001772914,-3.404551378,31.00644972,3.875806215,2.747356191,55.22127318,27.36150465,44.79980625,54.85080433,6.856350541,27.36150465,-0.498263889,0.043737522,0.00546719,-2.50363914,28.56073598,3.570091997,2.681626325,0,11.79,12.21005852,-0.306947981,0.113285589,5.124353981,7.584528636,7,23,22,22,6,1,1,0,0,1,17.491312,3.522956524,3.270986581,2.757004616,2.333552793,2.078110866,1.436088184,0.983057018,0.90685681,1.91763473,1.713698804,1.38072873,1.249629723,0.984399341,0.641960797,0.379809899,0.349366804,3.549335011,3.300065945,2.800271486,2.405454588,2.145719637,1.534462971,1.105501695,1.035907903,1.859433504,1.647960609,1.293601867,1.134540686,0.866870995,0.497579853,0.221453298,0.187967209,3.665738735,3.429675518,2.990044223,2.704236987,2.434737102,1.938728939,1.589699459,1.539876748,1.689053983,1.45583215,1.027563309,0.76031856,0.490188384,0.013284451,0.323880236,0.370970303,3.568790828,3.321591866,2.83216962,2.457539916,2.195213073,1.605591067,1.192827331,1.127480563,1.82244249,1.606170109,1.237195309,1.058262671,0.789330388,0.400737673,0.114296581,0.078551079,3.722660241,3.493615541,3.081228629,2.838982085,2.568480993,2.117010064,1.795113545,1.751488829,1.636182762,1.396597811,0.942188778,0.631337262,0.363164119,0.158898994,0.524697387,0.578453007,3.604097335,3.388761412,2.890429419,2.561905788,2.232538369,1.650741398,1.273520318,1.217050746,1.88522611,1.559608265,1.112856773,0.943928259,0.69557704,0.327089381,0.042369411,0.062217196,0,0,1,1,0,2,3,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.144337567,0.288675135,0.204124145,0.11785113,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,5.983127663,3.37944541,2.613425644,1.189722705,0.670436988,0.319035594,0.166666667,0,0.747890958,0.482777916,0.373346521,0.237944541,0.167609247,0.106345198,0.083333333,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,6,1,0,2,0,0,0,0,0,0,0,0,2,1,3,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.646001512,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.379448696,0.320208333,0,0,1.400342971,0.290277778,0,0.699657029,0,0,0,0,0,0,0,0,4.506128118,3.657529289,3.824768519,0,1.988472222,0,0.856435185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.988472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.379448696,0.320208333,0,0,0.212046485,0.290277778,0,0.320208333,0,0,0,0,0,0,0,0,2.253064059,3.657529289,1.17875,0,1.988472222,0,0.856435185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.657529289,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.379448696,0.320208333,0,0,0.290277778,0.290277778,0,0.379448696,0,0,0,0,0,0,0,0,2.253064059,3.657529289,1.339305556,0,1.988472222,0,0.856435185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.83333333,1.854166667,0.379448696,3.657529289,0.212046485,0.856435185,5.874037263,0.476898148,0.657529289,2.327314815,0.476898148,0.657529289,2.327314815,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.375,0.125,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.09562,0.88695,8.40872,1.31311,0.16414,3.20517,0.40065,3.77005,0.56488,0.07061,0.14395,0.01799,0.14395,0.01799,0,7,0,0,0,0,0,0,0.75,0.918295834,2.215770674,3.355388542,3.438721876,3.40726823,3.331015105,22.03910002,53.17849618,80.52932501,82.52932501,81.77443751,79.94436251,0.200284263,0.483269094,0.731824642,0.75,0.743139825,0.726508691,3.666666667,2.369191827,1.229573959,1.146240625,1.177694271,1.253947396,0.200284263,0.483269094,0.731824642,0.75,0.743139825,0.726508691,6.73287657,17.20065,19.26519999,18.43317083,18.05572708,17.14068958,31.59900002,19.1084021,16.76278229,17.52694271,18.25325833,15.08822084,8,5.142857143,7.2,8,2,7,2.34,1.1928,0.721124785,4.146039495,1.754410643,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.126,0.12,0.128,0.152,3.431,7,5,4,3,2,0,0,0,0,36,2.197224577,2.197224577,1.945910149,1.791759469,1.609437912,1.609437912,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,0,144.287877,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,112.1252005,4.671883355,14.66595917,1.833244896,0,0,0,79,5,4.465,28,1.227,2.134253021,2.899043529,3.541574812,4.651630558,5.705100636,6.839837054,7.766401447,0,0,74.89491166,75.66658662,67.46746403,66.99903336,92.47387883,97.0507197,52.1182874,7.89116092,0,0,281.0620545,336.0934119,350.0486093,356.7366824,495.140067,546.9583502,553.2869337,241.4088377,0,0,8.925452504,15.19152468,20.37128242,24.61734666,32.44924077,39.60668973,47.57882437,52.17828853,0,0,2.127440242,2.777631007,3.105949093,3.279830041,4.51220407,5.124595214,5.765325885,3.453042308,0,0,175.9203541,329.7896096,467.2851589,591.7883472,768.1174276,956.649272,1135.319957,1436.14472,0,0,2.791311594,3.806907155,4.822179685,5.381816583,7.7315352,10.17678051,13.31412726,7.766401447,0,0,0.440993152,0.585565029,0.663330529,0.705973791,0.969057597,1.106317757,1.260780028,0.795279508,0,0,390.7417386,195.6075469,11.93679972,148.0288024,-74.10406429,-9.837399118,242.7129362,269.7116112,21.77419884,0.725247037,0.363062811,0.022155628,0.274752963,-0.137542903,-0.018258977,210.5201379,105.3875839,6.431196043,79.75355796,-39.92508681,-5.300100845,0.113122622,0.205012556,2.249751183,5.132105268,538.770541,0,1,0,455.2209468,21.33590745,7.692616449,610.8504609,24.71538915,8.484865622,719.8177212,26.82941895,8.962053073,2.034470702,2.034470702,766.2028241,717.4835576,82.38725903,1.067902973,9.300015962,8.708671292,4.469623153,4.57798827,8.978775629,0.961292843,4.707395531,5.811923829,3.617252674,21.53240082,8.240790793,4.103609323,6.443954427,11.36950575,9.880007221,1.436507262,3.069225501,4.042751858,3.50153134,1.80168698,1.28130725,0.173331813,1.911882861,3.18E-12,1.02E-45,6.30E-101,7.52E-178,1.73E-276,0,0,0,0,0,0,0,0,0.395069795,5.811642418,0.227830462,7.170408176,0.557602363,0.17401124,0.573869727,0.422252612,2.937953626,0.061436166,0.074199601,1.013449574,0.14348486,0.712548647,0.1047183,0.014047112,0.013465547,2.24E-14,7.18E-48,4.44E-103,5.30E-180,1.22E-278,0,0,0,0,0,0,0,0,1.275307413,5.81166178,0.785372069,8.672359958,1.08196357,0.666822558,1.589204899,1.673361507,3.97725309,0.237203119,0.333199,1.404705998,0.562272584,0.913834586,0.339896962,0.045674876,0.140321385,2.33E-13,7.48E-47,4.63E-102,5.52E-179,1.27E-277,0,0,0,0,0,0,0,0,4.443398039,5.81189313,3.362239635,20.14741167,7.401119634,3.753620838,6.019897193,10.35140759,9.321394258,1.315211165,2.761222673,3.776963664,3.201618258,1.727570848,1.207512648,0.163267208,1.703453209,2.83E-12,9.08E-46,5.62E-101,6.70E-178,1.54E-276,0,0,0,0,0,0,0,0,1.879562943,5.811686379,1.207986835,10.12789162,1.751888898,1.096960668,2.340499818,2.824217834,4.802852974,0.389012871,0.615613751,1.740718619,0.928934444,1.058255438,0.502820849,0.067649309,0.304796799,5.07E-13,1.62E-46,1.00E-101,1.20E-178,2.76E-277,0,0,0,0,0,0,0,0,5.684859415,5.81205279,4.615400933,27.23464275,11.76904104,5.523698828,8.087503647,15.53409653,12.10002121,1.92775367,4.351151474,5.118061947,4.7190858,2.084553066,1.556539094,0.210952256,2.788301472,4.64E-12,1.49E-45,9.19E-101,1.10E-177,2.52E-276,0,0,0,0,0,0,0,0,2.650813001,4.259011338,1.701130417,11.27996695,2.711098473,1.586852771,3.650073698,4.184331562,5.889101627,0.581331496,0.985572611,2.73780781,1.341341198,1.898521498,1.096804872,0.098945315,0.556113889,9.25E-13,2.96E-46,1.83E-101,2.19E-178,5.03E-277,0,0,0,0,0,0,0,0,6.867346246,1.142697829,0.51359917,0.805682036,0.134062137,0.496226967,0.479244265,0.394133524,8.523643245,11.96125363,24.51526449,0.708523054,1.369604756,6.289636869,0.584596022,0.15079477,0.895318449,0.083216188,0.415999046,0.124252016,0.033141362,7.025027661,4.713495057,12.29297951,0.842977674,0.573392423,6.519049061,0.805575092,0.295604975,0.855492525,0.105715337,0.4470022,0.236639617,0.129303127,7.620229127,7.416778882,16.58940223,0.783238788,0.812944944,6.853040266,1.128825051,0.504676428,0.807518595,0.133013551,0.494153862,0.467549047,0.380476755,8.486541745,11.76414281,24.15480262,0.711277892,1.342179664,6.62132256,0.904409242,0.359803117,0.839679569,0.114692187,0.461186778,0.298804033,0.192339065,7.885534919,8.696167079,18.7363417,0.759519353,0.952329876,6.912135589,1.186141794,0.541520751,0.800034385,0.137288137,0.502745881,0.516824537,0.438413791,8.639798134,12.58415816,25.66376195,0.700051578,1.457984209,6.913871752,1.128816865,0.504202693,0.808934091,0.132073385,0.502961709,0.467470537,0.379683756,8.54689131,11.8596403,24.34157902,0.713401136,1.350116001 +UMLMON0218,L,6-methyl-1-heptene,CC(C)CCCC=C,21122,[9] has RON of 63.8,UML,[1],C8H16,PubChem,,62.6,0,-0.9841,0.96845281,23.5831,17.603516,0,0,18,6,12,0,5,0,1,0,0,0,0,0,0,0,989.481374,918.525433,1047.196341,759.190535,509.05819,144.307296,12.192768,0,0,2706.980219,3340.91352,4157.215774,3778.220615,2628.230973,1391.118395,373.0049332,0,0,131.675864,127.961068,226.90794,286.73066,235.343872,152.140032,80.621568,0,0,19.92305886,25.2786954,34.06730449,33.40795106,24.78086426,14.28985608,5.335354858,0,0,3038.434891,2530.053054,4954.678529,6588.374072,5695.167103,3661.504836,2219.011824,0,0,62.27777778,43.25,69,85.33333333,63,43,12,0,0,54.97118744,54.03090782,33.78052713,19.46642397,15.42600576,6.871776,1.016064,0,0,150.3877899,196.5243247,134.1037346,96.87745167,79.64336282,66.24373311,31.08374443,0,0,7.315325778,7.527121647,7.319610968,7.352068205,7.131632485,7.244763429,6.718464,0,0,1.106836603,1.486982082,1.098945306,0.85661413,0.750935281,0.680469337,0.444612905,0,0,168.8019384,148.8266503,159.8283396,168.9326685,172.5808213,174.3573732,184.917652,0,0,3.459876543,2.544117647,2.225806452,2.188034188,1.909090909,2.047619048,1,0,0,0.220654315,-0.110170166,0.010128236,-0.03047214,0.029655762,-0.029263732,0.019794884,0,0,557.7912351,-66.11605249,-82.74028647,-208.688303,53.95116685,-156.8147364,181.5125939,0,0,815.6252945,-79.2452518,-254.7450064,-219.4417625,43.45488204,-160.1415306,262.3060219,0,0,1.059967111,-0.095141383,0.003255753,-0.34703363,0.001078519,-0.216447407,0.124304593,0,0,3.576219349,-0.265723223,-1.464103123,-0.631566778,-0.003619501,-0.405885722,0.982788672,0,0,19.7674611,-1.32649563,-8.520916016,-2.96031819,-0.375585911,-1.745405988,5.044991183,0,0,23.75308642,-4.242112483,1.73079561,-8.215020576,1.961934156,-5.684156379,2.572016461,0,0,0.012258573,-0.006480598,3.27E-04,-7.81E-04,8.99E-04,-0.001393511,0.001649574,0,0,30.98840195,-3.889179558,-2.669041499,-5.350982127,1.634883844,-7.4673684,15.12604949,0,0,45.31251636,-4.6614854,-8.21758085,-5.626711858,1.316814607,-7.62578717,21.85883516,0,0,0.058887062,-0.005596552,1.05E-04,-0.008898298,3.27E-05,-0.010307019,0.010358716,0,0,0.198678853,-0.015630778,-0.047229133,-0.01619402,-1.10E-04,-0.019327892,0.081899056,0,0,1.098192283,-0.078029155,-0.274868259,-0.075905595,-0.011381391,-0.083114571,0.420415932,0,0,1.319615912,-0.249536028,0.055832116,-0.210641553,0.05945255,-0.270674113,0.214334705,0,0,-0.528658434,0.026652146,-0.063737999,0.073308651,-0.11367645,0.134564901,0,0,-0.12550436,-0.086130337,-0.17267693,0.052757927,-0.240973007,0.488119701,0,0,-0.102874123,-0.181353443,-0.124175665,0.029060726,-0.168293173,0.482401705,0,0,-0.095038736,0.001783487,-0.151107865,5.55E-04,-0.175030288,0.175908183,0,0,-0.078673586,-0.237715954,-0.081508524,-5.52E-04,-0.097282077,0.412218285,0,0,-0.071052361,-0.250291559,-0.069118674,-0.010363751,-0.075683077,0.382825429,0,0,-0.189097469,0.042309369,-0.159623381,0.04505292,-0.20511583,0.162422037,0,0,1.431002721,0.714570162,1.198708637,0.869018289,1.287923142,0.337304366,0,0,1.409452341,1.137818133,1.154835598,0.773951304,1.104188892,0,0,0,1.590373361,1.337815477,1.023064922,0.77454043,0.906286043,0,0,0,1.043987109,0.822591682,1.402198901,0.806118551,1.355438462,0,0,0,1.655711089,1.428720052,0.971518306,0.781771449,0.80356753,0,0,0,1.661705788,1.443354215,0.96545488,0.784799804,0.783613671,0,0,0,1.149558212,0.778544363,1.40539541,0.762686638,1.397312147,0,0,0,21.0931329,10.67156645,16.73713056,21.25979956,3.543299927,10.67162594,0.25,0.102950955,0.017158493,-1.364101539,23.20197762,3.86699627,1.88654251,21.09611656,10.67269107,16.7385286,21.26229361,3.543715602,10.67275048,0.249265579,0.102877784,0.017146297,-1.364528135,23.19538835,3.865898058,1.886372089,23.78300691,11.69200622,18.10347587,23.5170106,3.919501766,11.69202563,-0.398994478,0.023781959,0.00396366,-2.243296809,19.69194089,3.281990148,1.788125676,21.09924811,10.67387145,16.73999615,21.26491131,3.544151884,10.67393078,0.2484948,0.102800957,0.017133493,-1.364976368,23.18848087,3.864746811,1.886193385,26.69700248,12.80735411,19.94147926,25.97547297,4.329245494,12.8073603,-1.082294264,0.09280724,0.015467873,-1.426338372,21.50729029,3.584548382,1.841035177,21.40627616,10.78970517,16.88502839,21.52169895,3.586949825,10.78975701,0.173134186,0.095123446,0.015853908,-1.41154788,22.55100076,3.758500126,1.869467667,23.03258599,11.80795966,19.15018972,23.42147488,3.903579147,11.80798076,0.583333333,0.120670678,0.02011178,-1.26881407,19.21464693,3.202441154,1.773403709,0,11.99640057,15.99794223,-0.418488723,0.077562269,4.418856186,6.619769203,5,17,17,17,5,0,0,0,0,0,13.118484,3.451581157,2.964392103,2.244612376,2.047170761,1.402796895,0.896721912,0.083923071,0.083923071,1.846911721,1.54731245,1.142493283,0.761946115,0.581728649,0.291315589,0.083923071,0.083923071,3.447177728,2.973650549,2.307442282,1.88324323,1.455961778,0.967025283,0.270913902,0.270913902,1.800233664,1.477806211,1.031339843,0.744058134,0.482374437,0.158406045,0.270913902,0.270913902,3.598945262,3.187569899,2.606235828,2.357725681,1.920050375,1.515824543,0.943918427,0.943918427,1.597611338,1.19771994,0.656174569,0.232926156,0.052449434,0.439804323,0.943918427,0.943918427,3.460749678,2.997394463,2.357445623,1.876090148,1.505808893,1.03263438,0.399277246,0.399277246,1.771976535,1.433484879,0.958849347,0.735180646,0.396024085,0.0587047,0.399277246,0.399277246,3.652564249,3.269390762,2.737527918,2.44188618,2.094471537,1.719106223,1.207644823,1.207644823,1.543823786,1.117110629,0.529395576,0.126738149,0.218084872,0.639291409,1.207644823,1.207644823,4.292345084,3.335754446,2.940736508,2.469335657,1.72747684,1.285185569,0.6,0.6,1.69685714,1.256790354,0.799608281,0.343283694,0.078193555,0.32389892,0.6,0.6,0,0,0,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.182574186,0,0,0,0.288675135,0.288675135,0,0.129099445,0.129099445,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.438777427,2.450904231,1.637696501,0.706449714,0.417774579,0,0,0,0.739796238,0.490180846,0.3275393,0.235483238,0.20888729,0,0,0,8.965765927,17.6576839,16.70196078,16.96,10.27156647,139.5813569,0.498098107,0.980982439,0.92788671,0.942222222,0.570642582,7.754519827,1.1673,26.5888,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.625277778,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0.625277778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.574722222,0,0,0,0,0,0,0,0,0,0,0,3.87125,0,2.011574074,0,0,0,-0.101851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.625277778,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0.625277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,1.809027778,0,0.930555556,0,0,0,-0.101851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.625277778,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0.625277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.062222222,0,1.081018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,2.388888889,0.625277778,8.552361111,0.24,-0.101851852,2.598671667,1.435185185,2.552361111,5.229166667,1.435185185,2.552361111,5.229166667,2.83333,0.47222,0,0.02778,0.47593,0.82778,0.42,0.47593,0.75238,0.05593,0,-0.05593,0.0754,0.57047,0.14382,0,0.47059,0.17647,0,2.75,0.45833,2.75,0.45833,0,0,-2.75,-0.45833,0,0,4.92873,0.82145,5.69868,0.76996,0.12833,2.47593,0.41266,2.77005,0.29412,0.04902,0.14395,0.02399,0.14395,0.02399,0,5.01,1,1,1,1,1,1,1,1.134969975,1.833605679,2.86382639,3.308270835,3.007435418,2.372180556,20.42945954,33.00490222,51.54887502,59.54887502,54.13383752,42.69925001,0.272179949,0.439721501,0.68678127,0.793364589,0.721220506,0.56887847,3.034955027,2.336319323,1.306098611,0.861654167,1.162489584,1.797744445,0.27767102,0.448592623,0.700636679,0.809370253,0.735770705,0.580355259,10.25843817,15.60956847,19.09055624,18.3171257,16.68881428,10.95563906,21.93297423,16.70416525,14.36524723,14.70693473,12.27502153,8.385965281,6,3.2,5.333333333,6,0,5,1.9,0.8718,0.25,2.149139864,1.154700538,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,2.891,5,3,2,0,0,0,0,0,0,21,1.791759469,1.791759469,1.386294361,1.098612289,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,20.23,103.8266085,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,88.088815,4.893823056,10.67917749,1.779862916,2.347570326,2.347570326,0,32,3,1.311,20,1.216411765,2.109456663,2.838347754,3.462022645,4.576646605,5.32052519,0,0,0,0,77.15821427,80.22774842,62.67236103,66.01177519,33.73286656,5.405994107,0,0,0,0,263.9099389,303.8103253,294.620486,313.4245243,319.2305716,165.3818452,0,0,0,0,9.180431628,15.53605194,20.93785587,24.77905529,33.27968454,35.74575695,0,0,0,0,1.941447524,2.433242608,2.543787937,2.845610608,3.236807085,2.36557416,0,0,0,0,178.6200885,333.8264647,476.921943,588.3334501,792.231694,983.8590256,0,0,0,0,3.146416667,4.937608595,6.356237931,6.937490128,9.644260913,5.32052519,0,0,0,0,0.425350094,0.553804064,0.595625699,0.659406088,0.772268979,0.544821779,0,0,0,0,342.5702258,198.0253776,14.79615944,165.5153326,-95.67742249,-19.54817239,177.0548932,293.7028001,34.34433184,0.674237282,0.389748093,0.029121393,0.325762718,-0.188309667,-0.038474174,174.0549844,100.6138345,7.517714933,84.09595016,-48.61231663,-9.932144085,0.363467694,0.679435028,10.53325134,20.27831605,449.259825,58.82573339,0.884220812,0.115779188,346.0061755,18.60124124,7.020390718,470.5945044,21.69319028,7.778256915,542.2927022,23.28717892,8.154761302,1.741404689,1.741404689,318.9571562,276.1450121,69.94207738,1.155035008,4.560304299,3.948195742,3.616270107,3.220194404,6.42424645,0.994987148,3.782243497,4.176849799,2.985987976,11.74758675,6.953251467,1.474400629,2.973013093,9.335118736,2.44904464,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337322539,4.30372162,0.226660141,4.185311385,0.33121844,0.023271695,0.275000569,0.494874788,1.050814869,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0.969469194,4.067497601,0.656187855,4.535056629,0.8381944,0.12481751,0.66872299,1.565392528,1.168080276,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.793087398,4.303384815,2.981656037,11.63381103,6.449908436,1.35490191,2.75301997,9.034932801,2.648310682,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.361918399,3.977740588,0.937022594,5.039449567,1.404897453,0.242638299,0.985654496,2.391661098,1.211198142,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.748236975,4.257085854,3.89484302,15.16567911,9.855805963,2.146325321,3.852338186,12.72197443,3.142420634,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.484116726,4.488422505,2.492409635,10.88401644,3.940693416,0.735478855,1.533927549,6.507276107,3.688916459,1.718839852,0.058521852,0.405615798,2.89E-15,3.97E-51,1.05E-108,5.38E-188,5.30E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.843356927,0.859642976,0.554820098,0.730979175,0.163497985,0.537692175,0.439323599,0.429968814,5.257820002,5.913233657,13.00413199,0.596468762,1.406984588,3.030096714,0.679301343,0.154080312,0.784292398,0.175826361,0.345968709,0.258250799,0.031991651,3.863478369,2.629893978,6.810523368,0.676438597,0.636211159,3.427492085,0.65763866,0.324374519,0.777296291,0.149141144,0.428726489,0.262314909,0.149743546,4.409505263,3.579163622,8.719825692,0.665944436,0.840784945,3.782328955,0.886883113,0.535901053,0.726656437,0.170386905,0.521339447,0.4649001,0.393945833,5.205113121,5.856719343,12.8595038,0.589984656,1.38018538,3.605732944,0.667590757,0.401570654,0.771297204,0.142803389,0.473235806,0.274955696,0.236574735,4.674894356,4.12319538,9.764732136,0.656945806,0.984766237,3.880853964,0.895377373,0.580158675,0.724527892,0.167160601,0.548268635,0.474151522,0.465924071,5.356390012,6.24580087,13.61814297,0.586791838,1.488344228,3.799502782,0.886914074,0.536959249,0.727403638,0.169797092,0.52604608,0.464828021,0.395485965,5.223376105,5.88624737,12.9190862,0.591105457,1.386360067 +UMLMON0219,L,2-pentanol,CCCC(C)O,22386,Sandia values from the co-optima database which were measured by NREL and PNNL,Sandia,,C5H12O,PubChem,,90.8,0,0.6916,0.47831056,31.0165,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1117.887126,893.95858,652.923435,450.070322,143.338608,15.24096,0,3399.790734,4147.41404,5146.671182,4997.655438,3914.513922,2721.213111,1572.940224,466.2561665,0,146.842108,144.889944,254.780376,302.16136,311.183724,207.98804,145.478592,100.77696,0,25.74688067,32.32302034,43.45041525,45.21878842,37.74334449,26.0541382,16.69511646,6.669193573,0,3476.407621,2904.481805,5672.393611,6924.088246,7638.202784,5049.741717,3533.524545,2773.76478,0,40.52777778,45.33333333,63.41666667,75.33333333,66.16666667,48.5,35,15,0,48.76541633,51.7541979,31.05242017,20.78973442,14.50940967,15.00234407,6.825648,1.016064,0,161.8947969,207.370702,142.9630884,116.2245451,86.98919828,90.70710369,74.90191545,31.08374443,0,6.992481333,7.2444972,7.077232667,7.027008372,6.915193867,6.932934667,6.927552,6.718464,0,1.226041937,1.616151017,1.206955979,1.051599731,0.838740989,0.868471273,0.795005546,0.444612905,0,165.54322,145.2240902,157.5664892,161.025308,169.7378397,168.3247239,168.2630736,184.917652,0,1.92989418,2.266666667,1.761574074,1.751937984,1.47037037,1.616666667,1.666666667,1,0,0.043380486,-0.004342931,-0.010589637,-0.02082192,0.013109579,2.31E-04,-0.012314967,0.013038351,0,564.9747087,-53.80711511,-80.71067267,-269.0355756,80.71067267,-2.17E-13,-161.4213453,201.7766817,0,1050.594596,-100.0566282,-150.0849423,-500.283141,150.0849423,1.42E-13,-300.1698846,375.2123557,0,0.110674667,-0.010540444,-0.015810667,-0.052702222,0.015810667,-4.52E-16,-0.031621333,0.039526667,0,4.696646663,-0.447299682,-0.670949523,-2.236498411,0.670949523,-2.58E-15,-1.341899046,1.677373808,0,25.51225921,-2.429738973,-3.644608459,-12.14869486,3.644608459,-4.22E-15,-7.289216918,9.111521147,0,5.383597884,-1.402368355,0.982615268,-2.768266566,0.467687075,1.035336357,-2.30026455,1.293461829,0,0.002065737,-2.17E-04,-2.94E-04,-4.84E-04,2.91E-04,7.71E-06,-5.86E-04,8.69E-04,0,26.90355756,-2.690355756,-2.24196313,-6.256641292,1.793570504,-7.22E-15,-7.68673073,13.45177878,0,50.0283141,-5.00283141,-4.169026175,-11.63449165,3.33522094,4.74E-15,-14.29380403,25.01415705,0,0.005270222,-5.27E-04,-4.39E-04,-0.001225633,3.51E-04,-1.51E-17,-0.001505778,0.002635111,0,0.223649841,-0.022364984,-0.018637487,-0.052011591,0.014909989,-8.60E-17,-0.063899955,0.111824921,0,1.214869486,-0.121486949,-0.101239124,-0.282527788,0.080991299,-1.41E-16,-0.347105568,0.607434743,0,0.256361804,-0.070118418,0.027294869,-0.064378292,0.010393046,0.034511212,-0.109536407,0.086230789,0,-0.105118169,-0.142397854,-0.234410572,0.141026628,0.003732012,-0.283882634,0.420781162,0,-0.1,-0.083333333,-0.23255814,0.066666667,-2.69E-16,-0.285714286,0.5,0,-0.1,-0.083333333,-0.23255814,0.066666667,9.47E-17,-0.285714286,0.5,0,-0.1,-0.083333333,-0.23255814,0.066666667,-2.86E-15,-0.285714286,0.5,0,-0.1,-0.083333333,-0.23255814,0.066666667,-3.85E-16,-0.285714286,0.5,0,-0.1,-0.083333333,-0.23255814,0.066666667,-1.16E-16,-0.285714286,0.5,0,-0.273513514,0.106470106,-0.251122793,0.040540541,0.134619165,-0.427272727,0.336363636,0,1.41821491,1.179729366,1.179146148,0.716520779,0.941988158,1.268344768,0.088256024,0,1.5,1.19047619,1.245847176,0.761904762,0.857142857,1.12244898,0,0,1.5,1.19047619,1.245847176,0.761904762,0.857142857,1.12244898,0,0,1.5,1.19047619,1.245847176,0.761904762,0.857142857,1.12244898,0,0,1.5,1.19047619,1.245847176,0.761904762,0.857142857,1.12244898,0,0,1.5,1.19047619,1.245847176,0.761904762,0.857142857,1.12244898,0,0,1.640786241,0.600532351,1.411119365,0.722358722,0.841031941,1.769041769,0,0,29.0322193,14.51610965,23.28706805,29.0322193,4.1474599,14.51611113,-1.78E-15,0.130230827,0.018604404,-1.426912769,23.80541052,3.400772932,2.218939021,29.0322193,14.51610965,23.28706805,29.0322193,4.1474599,14.51611113,-1.78E-15,0.130230827,0.018604404,-1.426912769,23.80541052,3.400772932,2.218939021,29.0322193,14.51610965,23.28706805,29.0322193,4.1474599,14.51611113,-1.78E-15,0.130230827,0.018604404,-1.426912769,23.80541052,3.400772932,2.218939021,29.0322193,14.51610965,23.28706805,29.0322193,4.1474599,14.51611113,-1.78E-15,0.130230827,0.018604404,-1.426912769,23.80541052,3.400772932,2.218939021,29.0322193,14.51610965,23.28706805,29.0322193,4.1474599,14.51611113,-1.78E-15,0.130230827,0.018604404,-1.426912769,23.80541052,3.400772932,2.218939021,29.0322193,14.51610965,23.28706805,29.0322193,4.1474599,14.51611113,-1.78E-15,0.130230827,0.018604404,-1.426912769,23.80541052,3.400772932,2.218939021,39.96439291,19.78299011,32.67192553,39.67981241,5.66854463,19.78299011,-0.398412698,0.172733698,0.024676243,-1.229202931,21.81427286,3.116324694,2.157795132,0,11.89,12.11009426,-0.173302362,0.049665741,5.149588588,7.53557178,6,20,19,19,5,1,1,0,0,1,15.304898,3.527651715,3.160096539,2.526209549,2.223306854,1.790620404,1.247882563,0.424404909,0.083923071,1.894507479,1.666989278,1.30096929,1.108237756,0.850586657,0.575343649,0.083923071,0.083923071,3.550768366,3.194777382,2.582661661,2.291963745,1.874478283,1.362711948,0.536926724,0.270913902,1.837947883,1.594321329,1.197702114,0.996156127,0.719729217,0.422948026,0.270913902,0.270913902,3.655391577,3.34687131,2.825635698,2.579080168,2.223370313,1.819538192,0.963715902,0.943918427,1.676838473,1.377077027,0.87272197,0.633235659,0.288618046,0.098398575,0.943918427,0.943918427,3.567961224,3.220319149,2.6240445,2.341817624,1.935321748,1.444751355,0.616167386,0.399277246,1.802368147,1.547715939,1.130052228,0.92198642,0.632535392,0.320061387,0.399277246,0.399277246,3.708023142,3.420429104,2.939518756,2.709310837,2.379895731,2.014857828,1.207644823,1.207644823,1.628433413,1.308440853,0.765114478,0.508794749,0.138379652,0.288840133,1.134156552,1.207644823,3.62179896,3.230156134,2.639898553,2.556858088,1.956261107,1.476857074,0.659651977,0.53164557,1.840573605,1.492665681,1.084582076,0.732607858,0.547237887,0.25394137,0.53164557,0.53164557,0,0,1,0,1,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.25,0,0,0,0.288675135,0.204124145,0.204124145,0.176776695,0.125,0.125,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,5.328427125,2.914213562,2.060660172,0.957106781,0.478553391,0.301776695,0,0,0.761203875,0.48570226,0.343443362,0.239276695,0.159517797,0.150888348,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,2,1,3,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.099907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.361875,0,0,0,0.97625,0.580555556,0,0.361875,0,0,0,0,0,0,0,0,4.276388889,3.792638889,3.79037037,0,0,0,0,0,0,1.307268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.307268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.361875,0,0,0,0.216944444,0.290277778,0,0.361875,0,0,0,0,0,0,0,0,2.079027778,3.792638889,1.204861111,0,0,0,0,0,0,1.307268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.792638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.361875,0,0,0,0.290277778,0.290277778,0,0.361875,0,0,0,0,0,0,0,0,2.197361111,3.792638889,1.300925926,0,0,0,0,0,0,1.307268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.16666667,1.880952381,0.361875,3.792638889,0.071597222,1.204861111,4.696092824,0.359398148,0.792638889,2.138055556,0.359398148,0.792638889,2.138055556,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.75577,0.82225,7.02591,1.27014,0.18145,2.72875,0.38982,3.27005,0.5413,0.07733,0.14395,0.02056,0.14395,0.02056,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.153291232,3.368042423,3.463280518,3.558518613,3.140202668,19.28421252,45.21911587,70.72889087,72.72889087,74.72889087,65.94425603,0.209068641,0.49024035,0.766803056,0.788485937,0.810168818,0.714930722,3.474021589,2.239026191,1.024275,0.929036905,0.83379881,1.252114755,0.209068641,0.49024035,0.766803056,0.788485937,0.810168818,0.714930722,6.73287657,17.21697421,19.48810467,18.5372142,19.68007134,14.66028,27.64912502,16.33397711,14.3059685,15.14260039,13.77556186,11.26566619,7,4.166666667,6,7,2,6,2.23,1.0519,0.814325285,3.639717277,1.889881575,0,2.381101578,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.104,0.088,0.143,0.175,3.137,6,4,3,2,0,0,0,0,0,28,2.079441542,2.197224577,1.791759469,1.609437912,1.386294361,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,0,126.9918924,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,98.10955045,4.671883355,12.67036528,1.810052182,0,0,0,52,4,3.45,24,1.2229,2.118990253,2.921200347,3.583132494,4.631510173,5.724076397,6.446029286,0,0,0,73.6156376,74.85494167,69.15483024,64.19080284,81.55321812,41.04226786,6.5495783,0,0,0,277.7186352,328.6771511,362.5315093,350.5542731,463.0924858,443.6159053,200.3667269,0,0,0,8.892335553,15.05442701,20.575256,24.88230111,32.24168017,39.72480008,43.3074157,0,0,0,2.107286619,2.714253312,3.209232546,3.254721809,4.310593495,4.669593597,2.865987805,0,0,0,175.5375183,329.7297233,467.0004986,600.4581515,769.6192753,957.498226,1191.9846,0,0,0,2.84095,3.898519662,5.236386978,5.470822395,7.853261168,9.663703028,6.446029286,0,0,0,0.4370085,0.572331015,0.684793985,0.701714724,0.928999095,1.023177262,0.660073399,0,0,0,368.0887611,156.8909707,10.52337661,163.312847,-69.60905577,-10.61951977,204.7759141,226.5000265,21.14289639,0.692675286,0.295239925,0.019803058,0.307324714,-0.130991429,-0.019983981,195.6029596,83.37211415,5.592139255,86.78470955,-36.99036418,-5.643229886,0.125358261,0.233934812,2.986716478,4.899718279,531.4016082,0,1,0,395.3145785,19.88251942,7.339181199,531.3577082,23.05119754,8.099576812,612.4650146,24.74803052,8.492334564,1.797741956,1.797741956,514.0937425,458.6729374,72.15020129,1.120828592,7.125326517,6.357195534,4.058772905,4.462585949,7.652389268,0.714788097,4.067936095,4.914041019,5.068419723,15.29788286,4.218150879,4.148088568,3.628330405,10.51231436,7.464314149,1.540912493,2.42846316,1.033338574,3.850075463,1.432305862,1.13E-05,1.26E-31,2.70E-79,1.12E-148,8.90E-240,0,0,0,0,0,0,0,0,0,0,0,0.341404395,4.913792843,0.214993315,5.659297533,0.04309978,0.18823946,0.464064611,0.41178263,2.617126358,0.053964939,0.051315719,0.058804505,0.213495371,0.010087847,7.96E-08,8.85E-34,1.90E-81,7.86E-151,6.27E-242,0,0,0,0,0,0,0,0,0,0,0,1.102068962,4.91380993,0.832639481,6.522072995,0.343444484,0.712862358,1.025546253,1.637862843,3.046590055,0.22385775,0.26607409,0.144738154,0.761417388,0.105123147,8.30E-07,9.23E-33,1.98E-80,8.19E-150,6.53E-241,0,0,0,0,0,0,0,0,0,0,0,3.839800494,4.914013949,4.639326663,14.31702158,3.767323127,3.805317553,3.404753987,9.598340465,6.969480788,1.402610571,2.187253243,0.933706344,3.558680897,1.276158737,1.01E-05,1.12E-31,2.40E-79,9.94E-149,7.93E-240,0,0,0,0,0,0,0,0,0,0,0,1.62424134,4.913831627,1.367397995,7.442339293,0.713483998,1.157226054,1.436049607,2.727651338,3.507664365,0.380159833,0.493806557,0.237277841,1.195264569,0.228341522,1.80E-06,2.00E-32,4.30E-80,1.78E-149,1.42E-240,0,0,0,0,0,0,0,0,0,0,0,4.912619538,4.91415473,6.806999954,19.37328788,6.1090368,5.531157392,4.490039689,14.23201008,9.521377945,2.106656131,3.430195383,1.44761703,5.007056715,2.08888349,1.65E-05,1.83E-31,3.93E-79,1.63E-148,1.30E-239,0,0,0,0,0,0,0,0,0,0,0,2.266920431,3.757149747,1.846486224,8.66052552,1.257936613,1.663275555,1.674339541,3.953586551,4.469001435,0.537360689,0.81283429,0.371979623,1.77342913,0.404836972,3.20E-06,3.55E-32,7.62E-80,3.15E-149,2.52E-240,0,0,0,0,0,0,0,0,0,0,0,5.641508259,1.181860504,0.3952263,0.781524412,0.16372445,0.556261604,0.459353875,0.476172797,7.218595063,9.364250586,19.21800744,0.672286617,1.491788276,4.608146127,0.650520212,0.085204558,0.862323626,0.121732022,0.373695177,0.144098673,0.022130874,5.343870896,3.445754534,9.045042467,0.793485439,0.539924724,5.017567064,0.862548289,0.208335131,0.824112322,0.141669591,0.441594982,0.250022815,0.132311602,6.088450484,5.552928488,12.54303131,0.736168483,0.823929399,5.615831169,1.168799971,0.387551035,0.783001747,0.162962951,0.551274901,0.449665249,0.457857898,7.172182175,9.193174127,18.90915732,0.67450262,1.458798048,5.200507423,0.956613335,0.263219495,0.810004956,0.148997296,0.473811332,0.305621921,0.211207342,6.420340253,6.595548966,14.32537324,0.715007434,0.990640595,5.721923477,1.222722442,0.419255505,0.777023367,0.16604275,0.572028076,0.490270017,0.535834232,7.363901425,9.907905282,20.20505416,0.66553505,1.598132325,5.624942044,1.175383994,0.387200299,0.782597765,0.163531087,0.553225108,0.455721533,0.457029546,7.187526337,9.244555122,18.9920434,0.673896647,1.465976187 +UMLMON0220,L,2-Methyl-1-Hexene,CCCCC(=C)C,22468,,"Sandia, UML",[1],C7H14,PubChem,,78.8,0,0.202,0.040804,31.7974,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1637.551784,758.929586,162.729504,12.192768,0,0,3885.475125,5223.921076,7758.63172,8463.052758,6034.399303,2421.799685,373.0049332,0,0,167.819552,174.20624,341.883496,485.318816,499.74356,346.633344,80.621568,0,0,29.42500648,40.12790896,63.51436973,74.85198059,60.78223392,29.3645722,5.335354858,0,0,3973.037281,3464.315612,7404.551417,11086.11766,12053.2006,9112.84921,2219.011824,0,0,36.55555556,44.52777778,74.83333333,102.9166667,100.3333333,58,12,0,0,48.76541633,56.15943233,37.32917321,23.73263455,10.54068869,3.190774588,1.016064,0,0,161.8947969,217.6633782,161.6381608,122.6529385,83.81110144,47.48626834,31.08374443,0,0,6.992481333,7.258593333,7.122572833,7.033606029,6.940882778,6.796732235,6.718464,0,0,1.226041937,1.671996207,1.323216036,1.084811313,0.844197693,0.575775925,0.444612905,0,0,165.54322,144.3464838,154.2614879,160.6683719,167.4055639,178.6833178,184.917652,0,0,1.523148148,1.855324074,1.559027778,1.491545894,1.393518519,1.137254902,1,0,0,0.032203389,-0.00310484,-0.004656838,-0.008608007,-0.018786557,0.011712848,0.0073417,0,0,645.6853813,6.61E-13,-80.71067267,-282.4873543,-403.5533633,282.4873543,161.4213453,0,0,1200.679538,0,-150.0849423,-525.297298,-750.4247115,525.297298,300.1698846,0,0,0.126485333,2.94E-15,-0.015810667,-0.055337333,-0.079053333,0.055337333,0.031621333,0,0,5.367596186,1.23E-14,-0.670949523,-2.348323331,-3.354747616,2.348323331,1.341899046,0,0,29.15686767,-1.14E-13,-3.644608459,-12.75612961,-18.22304229,12.75612961,7.289216918,0,0,2.314814815,-0.861111111,-0.018518519,0.293981481,-1.592592593,0.56712963,0.453703704,0,0,0.001341808,-1.29E-04,-9.70E-05,-1.25E-04,-2.61E-04,2.30E-04,6.12E-04,0,0,26.90355756,2.75E-14,-1.681472347,-4.094019628,-5.604907824,5.538967732,13.45177878,0,0,50.0283141,0,-3.126769631,-7.613004319,-10.42256544,10.29994702,25.01415705,0,0,0.005270222,1.22E-16,-3.29E-04,-8.02E-04,-0.001097963,0.001085046,0.002635111,0,0,0.223649841,5.11E-16,-0.013978115,-0.034033671,-0.046593717,0.046045556,0.111824921,0,0,1.214869486,-4.74E-15,-0.075929343,-0.184871444,-0.25309781,0.250120188,0.607434743,0,0,0.096450617,-0.03587963,-3.86E-04,0.004260601,-0.022119342,0.011120189,0.037808642,0,0,-0.096413462,-0.072303542,-0.092974359,-0.194457342,0.171159879,0.455958218,0,0,1.02E-15,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,0,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,2.32E-14,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,2.29E-15,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,-3.90E-15,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,-0.372,-0.004,0.044173913,-0.229333333,0.115294118,0.392,0,0,1.53434748,1.171936794,1.124488657,1.134752217,0.462469473,0.00373952,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.8975,0.8625,0.944,1.341666667,0.535764706,0,0,0,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,36.07402827,17.779571,24.920579,35.98375049,4.497968812,17.77957107,-0.180555556,0.008520244,0.001065031,-3.812248206,54.49313446,6.811641808,3.198459776,0,11.89,12.11011416,-0.161991078,0.059143413,6.149298971,8.44548837,8,24,24,24,8,0,0,0,0,0,17.491312,3.662568552,2.973800316,2.902915108,2.396031084,1.985393484,1.294917089,1.278176966,0.792390288,2.011212266,1.54022329,1.504387675,1.214685823,0.944510801,0.575155562,0.537874807,0.286758099,3.685758973,3.012007932,2.943626107,2.45799801,2.0604522,1.398197764,1.3877502,0.927978128,1.959396753,1.458846327,1.418464269,1.108835618,0.824247442,0.424099041,0.391206314,0.121362333,3.788142724,3.181205256,3.123867309,2.720080337,2.373479569,1.830041584,1.818711967,1.453306025,1.808680643,1.215027091,1.15985455,0.770046168,0.432297313,0.089676213,0.104383501,0.454358695,3.702862323,3.040251952,2.973724661,2.503161463,2.114921857,1.472638375,1.466485782,1.023904459,1.926561094,1.406557435,1.363143968,1.039081412,0.744462569,0.322298474,0.292586285,0.00904167,3.838313253,3.263640204,3.211539392,2.840509364,2.514780484,2.02143336,2.002311217,1.672222781,1.762127238,1.138255146,1.078139684,0.655480765,0.297024546,0.275653238,0.282281325,0.669501345,3.697560489,3.111926141,3.078965348,2.635037069,2.24090125,1.596068139,1.585467024,1.175105639,1.916863436,1.31336699,1.253825865,0.870102584,0.587742437,0.156504632,0.140887544,0.170893966,0,0,0,0,0,2,4,2,0,0,0,0,0.083333333,0.166666667,0,0,0,0.083333333,0.166666667,0.471404521,0,0.166666667,0,0.471404521,0,0.166666667,0,1.138071187,1.040440115,1.138071187,1.138071187,1.040440115,1.138071187,5.983127663,3.804530453,3.239024819,2.540336414,1.501661279,1.024377395,0.333333333,0.083333333,0.747890958,0.475566307,0.323902482,0.230939674,0.150166128,0.102437739,0.083333333,0.083333333,5.983127663,3.804530453,3.239024819,2.540336414,1.501661279,1.024377395,0.333333333,0.083333333,0.747890958,0.475566307,0.323902482,0.230939674,0.150166128,0.102437739,0.083333333,0.083333333,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,31.15378298,42.72358734,62.30756596,7.788445745,31.15378298,3.33E-16,4.16E-17,-28.51055062,41.24325189,5.155406487,2.975590007,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.757592593,0,5.90212963,0,0,0,2.006944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.378796296,0,1.47337963,0,0,0,1.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.378796296,0,1.477685185,0,0,0,1.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.378796296,0.2,1.003472222,5.75305787,0.329861111,0.378796296,1.515185185,0.329861111,0.378796296,1.515185185,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.47399,1.05925,8.47399,0,0,3.80452,0.47556,3.80452,0,0,0.10948,0.01369,0.19548,0.02444,0.25,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.522055209,2.688721876,2.284159128,2.284159128,22.03910002,34.03910002,60.52932501,64.52932501,54.81981907,54.81981907,0.200284263,0.309336409,0.550071066,0.586421781,0.498184909,0.498184909,3.666666667,3.166666667,2.062907292,1.896240625,2.300803373,2.300803373,0.200284263,0.309336409,0.550071066,0.586421781,0.498184909,0.498184909,6.73287657,12.73287657,15.67730206,14.01324374,13.60551527,13.60551527,31.59900002,23.74937501,22.16391042,24.55388542,25.09322045,25.09322045,6.125,2.52,1.487603306,0,0,0,2.34,1.1272,0.333333333,2.746356192,2.828427125,0,3.965406457,4.298279727,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,11,10,10,4,1,0,0,0,62,2.197224577,2.397895273,2.48490665,2.397895273,2.397895273,1.609437912,0.693147181,0,0,0,4.143134726,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,1.5,1.111111111,0.375,0.222222222,0,0,0,0,0,0,0.1875,0.111111111,0.046875,0.111111111,0,0,0,0,0,0,0.456597222,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,0,134.567877,4,3.610917913,4.369447852,5.153291594,5.932245187,6.717804695,7.501634458,8.287276756,9.072341874,9.857914707,76.50287504,2.833213344,0,4.043051268,0,5.476463552,0,7.00033446,0,8.555836815,8.796490207,112.1252005,4.671883355,15.53340973,1.941676217,0,0,0,60,8,4.43,36,1.224166127,2.094734878,2.813258485,3.478295136,4.058328429,4.653242784,0,0,0,0,78.54273178,86.40971975,71.40249227,38.36442902,13.27344884,4.727992477,0,0,0,0,289.3400736,361.0360131,361.1053693,299.1500142,195.1604006,144.6402095,0,0,0,0,8.917064339,14.96667722,19.8350544,24.17091153,27.59504103,31.26264413,0,0,0,0,2.17096299,2.90569308,3.158377613,2.991387022,2.356243506,2.068891791,0,0,0,0,174.752874,319.833565,448.4042663,580.0735826,724.226083,860.46673,0,0,0,0,2.318653618,3.343180647,4.268691588,4.893029907,4.639201405,4.653242784,0,0,0,0,0.449298446,0.609701421,0.672642215,0.651088863,0.529090755,0.476492061,0,0,0,0,309.1777466,127.062216,7.942323499,81.13752077,-33.3449393,-4.228018658,228.0402258,160.4071553,12.17034216,0.792123118,0.325537397,0.020348483,0.207876882,-0.085430784,-0.010832317,120.6767948,49.59432283,3.10001012,31.66921311,-13.0150389,-1.650260233,0.072690831,0.151075692,1.278415714,1.140270424,390.3152674,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,966.0575165,31.0814658,9.885553587,1.427238702,1.212074076,326.335643,224.3218368,175.4436021,1.454765384,1.860060094,1.278597989,3.622823825,3.779648656,5.904977379,0.562308541,5.121077983,6.009330933,10.72828859,10.22126099,16.12818003,11.38979182,12.02822871,8.943262443,5.188149986,0.350713892,0.405380356,4.20E-16,8.41E-53,3.25E-111,2.42E-191,3.47E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.379753701,5.574159459,0.80046825,4.392667528,0.901739768,2.372388959,0.945926777,0.274345839,0.114842554,0.002470107,0.002855127,2.96E-18,5.92E-55,2.29E-113,1.70E-193,2.44E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.257845635,5.603239223,2.601308757,4.903829959,3.186709509,3.988022061,1.986790789,1.199403691,0.581953811,0.025740415,0.029752625,3.09E-17,6.17E-54,2.38E-112,1.77E-192,2.54E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.799079867,5.96155318,10.04069084,9.624380346,14.90485289,10.75815142,10.91773323,8.113818138,4.676463795,0.312479763,0.361186599,3.75E-16,7.49E-53,2.89E-111,2.15E-191,3.09E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.887265995,5.640941991,3.904526282,5.456210726,4.999656519,5.16391398,3.063931669,2.085162435,1.071398274,0.055911622,0.064626676,6.70E-17,1.34E-53,5.17E-112,3.85E-192,5.53E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.349327782,6.210229773,13.36478739,12.70380958,20.98821755,13.81885341,16.63044818,12.35351757,7.311029795,0.51148325,0.591209151,6.13E-16,1.23E-52,4.73E-111,3.52E-191,5.06E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.229683526,5.311696162,6.495073182,6.808552652,8.462378519,8.079323976,6.213556559,4.427633726,2.445582444,0.139896954,0.161702968,1.68E-16,3.36E-53,1.29E-111,9.63E-192,1.38E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.323279384,1.833960952,0.791270871,0.469490577,0.370608629,0.491363593,0.555762583,0.463984781,4.948511208,7.550306856,15.8702679,0.260148809,1.511110957,1.680597231,1.237615103,0.329956144,0.517398418,0.381019369,0.258923928,0.257376036,0.081347785,3.248168479,3.042814606,6.977269599,0.347626679,0.59764775,1.935628075,1.47436982,0.513491525,0.493343518,0.375780246,0.342366011,0.362637805,0.196555342,3.92348942,4.604836635,9.993744402,0.303685647,0.901559158,2.307347823,1.819187927,0.779879762,0.47027159,0.370777388,0.484712876,0.54704283,0.450849731,4.906415513,7.415701024,15.5956613,0.261573466,1.482605437,2.049405783,1.579942331,0.595159645,0.485122978,0.37399442,0.383324215,0.415193531,0.263656435,4.224507759,5.397984485,11.54958522,0.288676097,1.062174182,2.373162602,1.880214149,0.82692484,0.46713026,0.370098923,0.512480101,0.583497544,0.506281598,5.080301591,7.97927679,16.74936159,0.255843775,1.602259242,2.314639418,1.823964767,0.78163811,0.470431999,0.37070629,0.487803541,0.549876275,0.452606143,4.920242295,7.456711499,15.67688978,0.261707433,1.490285958 +UMLMON0221,L,"trans-1,2-dimethylcyclohexane",C[C@@H]1CCCC[C@H]1C,23313,Sandia values from independent api report ,Sandia,,C8H16,PubChem,,78.7,0,-0.7622,0.58094884,37.7868,30.93586,0,0,30,10,20,0,10,0,0,0,0,0,0,0,0,0,1462.96249,1684.78297,2179.217388,2152.131251,1593.278239,999.115156,408.844969,82.888848,6.096384,4856.843906,6529.901345,9585.725944,10701.77686,9308.948337,6680.754958,3660.359923,1257.525459,186.5024666,209.77444,217.7578,427.342512,611.112332,628.378684,559.858,371.2033,183.394368,40.310784,36.7812581,50.1598862,78.88975002,93.9014626,86.52708433,66.12766723,39.06308065,15.34920546,2.667677429,4966.296601,4330.394515,9252.955815,14049.49488,14804.94592,13760.1884,9323.322931,4833.801083,1109.505912,45.05555556,55.11111111,93,125,128,107.4166667,68.5,30.5,6,48.76541633,56.15943233,36.3202898,24.73714082,17.70309154,12.33475501,7.57120313,3.069957333,1.016064,161.8947969,217.6633782,159.7620991,123.0089294,103.4327593,82.47845628,67.78444303,46.57501701,31.08374443,6.992481333,7.258593333,7.1223752,7.024279678,6.981985378,6.91182716,6.874135185,6.792384,6.718464,1.226041937,1.671996207,1.314829167,1.079327156,0.961412048,0.816390953,0.723390382,0.568489091,0.444612905,165.54322,144.3464838,154.2159303,161.4884469,164.4993991,169.8788691,172.6541284,179.0296697,184.917652,1.501851852,1.837037037,1.55,1.436781609,1.422222222,1.326131687,1.268518519,1.12962963,1,0.04063883,-0.003335737,-0.010640782,-0.003995146,-0.011956047,6.68E-04,-0.001353617,0.006663365,0.003631031,807.1067267,-5.90E-13,-161.4213453,-161.4213453,-322.8426907,6.86E-13,7.43E-13,161.4213453,80.71067267,1500.849423,5.26E-13,-300.1698846,-300.1698846,-600.3397692,-7.74E-13,-3.20E-13,300.1698846,150.0849423,0.158106667,3.66E-15,-0.031621333,-0.031621333,-0.063242667,-2.57E-15,-2.68E-15,0.031621333,0.015810667,6.709495232,1.85E-14,-1.341899046,-1.341899046,-2.683798093,-1.33E-14,-1.38E-14,1.341899046,0.670949523,36.44608459,-3.02E-13,-7.289216918,-7.289216918,-14.57843384,1.93E-13,2.22E-13,7.289216918,3.644608459,2.651851852,-0.766666667,-0.525925926,0.483703704,-0.796296296,-0.019259259,-0.217777778,0.302222222,0.214074074,0.001354628,-1.11E-04,-1.77E-04,-4.59E-05,-1.33E-04,8.24E-06,-2.51E-05,2.47E-04,6.05E-04,26.90355756,-1.97E-14,-2.690355756,-1.855417762,-3.587141007,8.47E-15,1.38E-14,5.978568346,13.45177878,50.0283141,1.75E-14,-5.00283141,-3.450228558,-6.67044188,-9.56E-15,-5.92E-15,11.11740313,25.01415705,0.005270222,1.22E-16,-5.27E-04,-3.63E-04,-7.03E-04,-3.17E-17,-4.96E-17,0.00117116,0.002635111,0.223649841,6.16E-16,-0.022364984,-0.015424127,-0.029819979,-1.64E-16,-2.55E-16,0.049699965,0.111824921,1.214869486,-1.01E-14,-0.121486949,-0.083784103,-0.161982598,2.39E-15,4.11E-15,0.269970997,0.607434743,0.088395062,-0.025555556,-0.008765432,0.005559813,-0.008847737,-2.38E-04,-0.004032922,0.011193416,0.035679012,-0.082082512,-0.130918905,-0.033899516,-0.098067515,0.00608357,-0.018504697,0.182183854,0.446744056,-7.31E-16,-0.1,-0.068965517,-0.133333333,3.15E-16,5.11E-16,0.222222222,0.5,3.50E-16,-0.1,-0.068965517,-0.133333333,-1.91E-16,-1.18E-16,0.222222222,0.5,2.32E-14,-0.1,-0.068965517,-0.133333333,-6.02E-15,-9.42E-15,0.222222222,0.5,2.76E-15,-0.1,-0.068965517,-0.133333333,-7.35E-16,-1.14E-15,0.222222222,0.5,-8.29E-15,-0.1,-0.068965517,-0.133333333,1.97E-15,3.38E-15,0.222222222,0.5,-0.289106145,-0.099162011,0.062897322,-0.10009311,-0.002689841,-0.045623836,0.126629423,0.403631285,1.534396202,1.249070215,1.020572847,1.083881514,0.87057788,0.832974156,0.450424738,0.004307745,1.45,1.305,1.1,1.0875,0.832407407,0.765277778,0.402777778,0,1.45,1.305,1.1,1.0875,0.832407407,0.765277778,0.402777778,0,1.45,1.305,1.1,1.0875,0.832407407,0.765277778,0.402777778,0,1.45,1.305,1.1,1.0875,0.832407407,0.765277778,0.402777778,0,1.45,1.305,1.1,1.0875,0.832407407,0.765277778,0.402777778,0,1.822625698,1.002444134,0.804818436,1.171205773,0.960066211,0.961941341,0.556913408,0,49.92055373,24.96027687,37.10029833,49.92055373,4.992055373,24.96027687,-3.55E-15,0.054700231,0.005470023,-2.905887347,107.3580669,10.73580669,4.676169667,49.92055373,24.96027687,37.10029833,49.92055373,4.992055373,24.96027687,-3.55E-15,0.054700231,0.005470023,-2.905887347,107.3580669,10.73580669,4.676169667,49.92055373,24.96027687,37.10029833,49.92055373,4.992055373,24.96027687,-3.55E-15,0.054700231,0.005470023,-2.905887347,107.3580669,10.73580669,4.676169667,49.92055373,24.96027687,37.10029833,49.92055373,4.992055373,24.96027687,-3.55E-15,0.054700231,0.005470023,-2.905887347,107.3580669,10.73580669,4.676169667,49.92055373,24.96027687,37.10029833,49.92055373,4.992055373,24.96027687,-3.55E-15,0.054700231,0.005470023,-2.905887347,107.3580669,10.73580669,4.676169667,49.92055373,24.96027687,37.10029833,49.92055373,4.992055373,24.96027687,-3.55E-15,0.054700231,0.005470023,-2.905887347,107.3580669,10.73580669,4.676169667,58.33427294,28.97977142,43.88757157,58.22427294,5.822427294,28.97977142,-0.183333333,0.05006178,0.005006178,-2.99449743,106.0426993,10.60426993,4.663841837,0,11.9,12.10017173,-0.1511535,0.0490384,5.619713602,9.38313147,10,30,30,30,10,0,0,0,0,0,21.86414,3.675782856,3.290154022,2.77951548,2.750129472,2.530004352,1.836844638,1.456797487,1.414748326,2.019046791,1.766050089,1.450151557,1.372874417,1.256881554,0.88450462,0.666206401,0.610255,3.698586585,3.322304043,2.825567761,2.792995694,2.584106562,1.920267437,1.556142907,1.511736114,1.967959892,1.697034937,1.356335904,1.285229005,1.160772364,0.755485268,0.522081792,0.466308144,3.799302148,3.463974814,3.02894669,2.981537655,2.81398683,2.265820215,1.9628467,1.911255966,1.819514698,1.492252159,1.069350581,1.018928274,0.858097279,0.330262187,0.037619229,0.014886752,3.715406551,3.346016143,2.859605698,2.824624264,2.623581754,1.980686444,1.62787375,1.581915955,1.935600271,1.652901182,1.295508893,1.228596505,1.097869995,0.669519531,0.425347018,0.36988335,3.848684125,3.532921435,3.127206552,3.072480534,2.920504722,2.420356431,2.141548494,2.087963556,1.773703616,1.428067448,0.977485401,0.933903671,0.757113949,0.181813766,0.135164289,0.185372064,3.705051459,3.41382319,3.018439281,2.858333323,2.726870707,2.137039501,1.752482097,1.696251206,1.928597125,1.570356626,1.156737416,1.141444113,0.949076562,0.484922544,0.262588642,0.213864754,0,0,0,0,0,2,6,2,0,0,0,0,0.102062073,0.058925565,0,0,0,0.102062073,0.058925565,0.402368927,0,0.11785113,0,0.402368927,0,0.11785113,0,1.089255651,1.339255651,1.373773448,1.089255651,1.339255651,1.373773448,7.397341225,4.842535255,3.783622271,3.098518319,2.036535719,1.41711029,0.569035594,0.319035594,0.739734123,0.484253526,0.315301856,0.221322737,0.145466837,0.101222164,0.071129449,0.053172599,7.397341225,4.842535255,3.783622271,3.098518319,2.036535719,1.41711029,0.569035594,0.319035594,0.739734123,0.484253526,0.315301856,0.221322737,0.145466837,0.101222164,0.071129449,0.053172599,15.41827804,28.87836854,27.25490196,27.6,17.98554491,230.2825509,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.6128,46.03,41.88157561,60.63834098,83.76315123,8.376315123,41.88157561,0.23147766,0.023147766,-1.463271913,38.30092131,3.830092131,3.645473951,90,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,2,0,6,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,4.731407785,0,8.880582955,0,0,0,2.054675926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.3187226,0,1.37962963,0,0,0,0.986388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.412685185,0,1.508935185,0,0,0,1.068287037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.66666667,1.566666667,0.2,2.412685185,0.2,0.986388889,7.197646416,0.346944444,0.412685185,1.498556311,0.346944444,0.412685185,1.498556311,5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.2,0.2,0,5,0.5,5,0.5,0,0,-5,-0.5,0,0,11.56742,1.15674,11.56742,0,0,4.84252,0.48425,4.84252,0,0,0.07148,0.00715,0.15748,0.01575,0.2,10,0,0,0,0,0,0,1,0.918295834,1.375279366,2.555913095,3.231401845,3.20151528,3.00291008,27.54887502,41.25838097,76.67739286,96.94205536,96.04545841,90.08730239,0.187144143,0.280275123,0.52088243,0.658543691,0.652452957,0.611978201,3.988594762,3.53161123,2.3509775,1.67548875,1.705375315,1.903980516,0.187144143,0.280275123,0.52088243,0.658543691,0.652452957,0.611978201,6.73287657,12.21667895,16.8909882,18.02797915,17.26504706,15.28607796,39.49875002,30.76840725,26.00556217,23.1132877,24.19101549,28.11547299,8.1,4,2.285714286,4,0,4,2.56,1.409,0.333333333,3.422158352,2.149139864,0,6.945629182,6.085553735,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,4.664,12,14,14,14,8,6,2,0,0,90,2.397895273,2.564949357,2.708050201,2.708050201,2.708050201,2.197224577,1.945910149,1.098612289,0,0,4.510859507,1,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,1,3,6,1,1.5,1.111111111,0.4375,0.191111111,0.152777778,0.04,0,0,0,0,0.15,0.092592593,0.039772727,0.027301587,0.038194444,0.04,0,0,0,0,0.387861352,24.96027687,37.10029833,49.92055373,4.992055373,24.96027687,0.054700231,0.005470023,-2.905887347,107.3580669,10.73580669,4.676169667,0,169.1598463,4.321928095,3.80666249,4.574710979,5.361292166,6.150602768,6.944087208,7.737616283,8.532475815,9.326967184,10.12202049,82.55643538,3.044522438,0,4.234106505,0,5.65248918,0,7.158513997,0,8.703008637,8.947285869,140.1565006,4.671883355,19.52724104,1.952724104,0,0,0,121,11,5.568,44,1.229266235,2.107949862,2.836330888,3.537297212,4.138715799,5.041096494,5.889578264,7.033430929,0,0,79.27849437,85.32486944,76.13102954,69.87134368,58.79428274,41.83772156,19.23381956,7.146415963,0,0,291.5000555,360.5345813,368.4690493,385.2604842,370.7977458,358.3113208,283.0040827,218.6253695,0,0,8.955521785,15.06236452,19.97774228,24.73597706,28.70235034,34.71548505,40.04577621,47.25385249,0,0,2.185186681,2.912779309,3.188507995,3.515112684,3.580828145,3.766664447,3.417705679,3.127154156,0,0,175.3995389,321.6485948,453.9607136,579.1844578,695.7224671,865.5216921,1051.10371,1300.605533,0,0,2.30785528,3.347865806,4.162747003,5.105918633,5.67286849,6.516800371,6.731830318,7.033430929,0,0,0.452167257,0.611540702,0.678165153,0.754548704,0.776416041,0.827548519,0.76747342,0.720223327,0,0,372.2034621,192.0953332,9.4908368,88.65374846,-45.75446789,-4.796608445,283.5497137,237.8498011,14.28744524,0.807632936,0.416821803,0.020593877,0.192367064,-0.099281224,-0.010408014,171.5326493,88.52851945,4.373920574,40.85671923,-21.08627644,-2.210551588,0.058360193,0.125807541,0.618411518,1.091987796,460.8572106,0,1,0,682.8851744,26.13207176,8.806078679,876.625896,29.60786882,9.57057649,1235.490862,35.14954995,10.73033249,1.610599344,1.610599344,627.0753754,598.8775854,209.8289787,1.047084397,2.988507018,2.854122386,4.384302263,4.433660147,7.285318514,0.643183797,5.578631074,8.804831222,8.974288042,21.13899883,18.88195943,16.39526777,15.52852957,14.83501173,11.32943303,9.129918947,7.38293459,2.398904235,3.240636014,0.009974898,6.57E-23,8.36E-65,2.05E-128,9.70E-214,8.85E-321,0,0,0,0,0,0,0,0,0,0,0,0.468743771,7.477437895,0.659685823,7.891974928,1.379892581,2.077205848,1.879322432,2.49640883,0.759891442,0.467817924,0.662249938,0.14315612,0.022825347,7.03E-05,4.63E-25,5.88E-67,1.44E-130,6.83E-216,6.4E-323,0,0,0,0,0,0,0,0,0,0,0,1.511780701,7.566137875,2.166721907,9.385803473,3.730158039,4.14461225,3.271215341,4.406391158,2.239199109,1.70632321,1.375889114,0.50045349,0.237847643,7.32E-04,4.82E-24,6.13E-66,1.50E-129,7.12E-215,6.47E-322,0,0,0,0,0,0,0,0,0,0,0,5.265807432,8.65909539,8.398004754,19.89990695,17.37809343,15.21617944,14.19971266,13.86435247,10.44246234,8.412271368,6.738651206,2.224318284,2.887349228,0.008887455,5.85E-23,7.44E-65,1.83E-128,8.64E-214,7.885E-321,0,0,0,0,0,0,0,0,0,0,0,2.227792857,7.68114122,3.257714847,10.77059489,5.706461685,5.817753054,4.640673402,5.898236991,3.456057517,2.713771681,2.061212006,0.77635398,0.516633708,0.001590221,1.05E-23,1.33E-65,3.27E-129,1.55E-214,1.413E-321,0,0,0,0,0,0,0,0,0,0,0,6.736876218,9.41763053,11.18438491,26.21289484,24.94105831,21.10442036,21.00855723,18.67338173,14.88588714,11.99977808,10.03280725,3.086749842,4.726158883,0.014547452,9.58E-23,1.22E-64,2.99E-128,1.41E-213,1.2905E-320,0,0,0,0,0,0,0,0,0,0,0,3.712477098,7.465912606,5.086548587,14.13008891,10.0343726,9.633245049,8.090765338,9.135387837,6.517349071,5.003135252,3.949216837,1.469040943,1.320320246,0.004064015,2.68E-23,3.40E-65,8.35E-129,3.95E-214,3.607E-321,0,0,0,0,0,0,0,0,0,0,0,4.417114647,1.40554636,1.173835168,0.631332389,0.200892893,0.542769682,0.566214515,0.471856819,6.996496175,13.04330368,27.32750785,0.446998584,1.580841016,3.639196386,0.849884715,0.647876195,0.70843423,0.165445159,0.368502143,0.210422309,0.142490985,5.136957295,6.001266163,13.14203805,0.562651345,0.721415436,3.948142912,1.070017985,0.857344882,0.671966476,0.182115043,0.433684651,0.331602296,0.251062743,5.87550578,8.526878488,18.02430967,0.507949714,1.01634969,4.397853915,1.391737777,1.160867539,0.632742927,0.200236809,0.538048779,0.555392403,0.461496954,6.950459232,12.84160849,26.89734258,0.44911439,1.554938136,4.085860729,1.168390667,0.950455842,0.658509833,0.188307139,0.464450445,0.394216792,0.309016318,6.204707238,9.767815475,20.50988631,0.48776475,1.167683554,4.477415357,1.448791922,1.214418275,0.627034049,0.202894258,0.557683056,0.600747985,0.504992593,7.140625554,13.68373762,28.7021041,0.440551074,1.663423634,4.412119375,1.396242131,1.164401876,0.632764821,0.200242293,0.541523057,0.557642491,0.464279557,6.972763382,12.92365399,27.0695835,0.449147232,1.563445106 +UMLMON0222,L,sec-butylcyclohexane,CCC(C)C1CCCCC1,23468,,UML,[1],C10H20,PubChem,,55.2,0,1.8283,3.34268089,38.0604,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1410.479624,1371.115039,985.820644,555.141218,166.6224,18.289152,0,3885.475125,4800.404174,6118.039963,6602.817631,6018.397964,4146.044314,2029.598029,559.5073998,0,167.819552,166.665724,296.735264,326.37958,399.014032,392.180744,226.499328,120.932352,0,29.42500648,37.33900896,50.80666687,56.26121404,56.12588892,42.74120646,22.69940272,8.003032287,0,3973.037281,3337.521256,6665.652931,7177.290897,9290.369644,9819.952592,5720.741265,3328.517736,0,42.05555556,50.52777778,71.83333333,83.5,92.16666667,78,45,18,0,48.76541633,52.3287937,33.58284819,29.80684867,17.29509902,9.739319614,5.049163636,1.016064,0,161.8947969,208.713225,145.6676182,143.5395137,105.5859292,72.73761954,61.50297059,31.08374443,0,6.992481333,7.246335826,7.065125333,7.095208261,7.000246175,6.88036393,6.863616,6.718464,0,1.226041937,1.623435172,1.209682544,1.22306987,0.984664718,0.749845727,0.687860689,0.444612905,0,165.54322,145.1096198,158.7060222,156.028063,162.9889411,172.27987,173.3557959,184.917652,0,1.752314815,2.196859903,1.71031746,1.815217391,1.616959064,1.368421053,1.363636364,1,0,0.036750756,0.003004992,-0.003733191,-0.021284503,-0.012326039,0.006927775,-0.002315935,0.011351523,0,645.6853813,-53.80711511,80.71067267,-269.0355756,-363.198027,80.71067267,-40.35533633,242.132018,0,1200.679538,-100.0566282,150.0849423,-500.283141,-675.3822403,150.0849423,-75.04247115,450.2548269,0,0.126485333,-0.010540444,0.015810667,-0.052702222,-0.071148,0.015810667,-0.007905333,0.047432,0,5.367596186,-0.447299682,0.670949523,-2.236498411,-3.019272855,0.670949523,-0.335474762,2.01284857,0,29.15686767,-2.429738973,3.644608459,-12.14869486,-16.40073807,3.644608459,-1.822304229,10.93382538,0,3.717592593,-1.203896605,0.950231481,-1.005015432,-1.940393519,0.955439815,-0.868634259,1.253472222,0,0.001531282,1.31E-04,-8.89E-05,-4.63E-04,-2.16E-04,1.22E-04,-7.02E-05,6.31E-04,0,26.90355756,-2.339439787,1.921682683,-5.848599469,-6.371895211,1.415976713,-1.22288898,13.45177878,0,50.0283141,-4.350288182,3.573451007,-10.87572046,-11.84881123,2.633069163,-2.274014277,25.01415705,0,0.005270222,-4.58E-04,3.76E-04,-0.0011457,-0.001248211,2.77E-04,-2.40E-04,0.002635111,0,0.223649841,-0.019447812,0.015974989,-0.048619531,-0.052969699,0.011771044,-0.010165902,0.111824921,0,1.214869486,-0.105640825,0.086776392,-0.264102062,-0.287732247,0.063940499,-0.05522134,0.607434743,0,0.154899691,-0.052343331,0.022624559,-0.021848162,-0.034041992,0.016762102,-0.02632225,0.069637346,0,0.085321883,-0.058046472,-0.30216951,-0.141219163,0.079371367,-0.045830795,0.411838146,0,-0.086956522,0.071428571,-0.217391304,-0.236842105,0.052631579,-0.045454545,0.5,0,-0.086956522,0.071428571,-0.217391304,-0.236842105,0.052631579,-0.045454545,0.5,0,-0.086956522,0.071428571,-0.217391304,-0.236842105,0.052631579,-0.045454545,0.5,0,-0.086956522,0.071428571,-0.217391304,-0.236842105,0.052631579,-0.045454545,0.5,0,-0.086956522,0.071428571,-0.217391304,-0.236842105,0.052631579,-0.045454545,0.5,0,-0.337917592,0.14605942,-0.14104716,-0.219767975,0.108212624,-0.169930941,0.449564134,0,1.286592788,1.333288796,1.485809652,1.009277162,0.700873637,0.741604198,0.006192132,0,1.5,1.026785714,1.359375,1.210526316,0.71875,0.784090909,0,0,1.5,1.026785714,1.359375,1.210526316,0.71875,0.784090909,0,0,1.5,1.026785714,1.359375,1.210526316,0.71875,0.784090909,0,0,1.5,1.026785714,1.359375,1.210526316,0.71875,0.784090909,0,0,1.5,1.026785714,1.359375,1.210526316,0.71875,0.784090909,0,0,1.830635118,0.701743462,1.221668742,1.252736449,0.696467195,1.124872637,0,0,32.71500462,16.35750231,24.32033932,32.71500462,4.089375577,16.35750255,7.11E-15,0.201008084,0.025126011,-1.283528122,27.88061685,3.485077107,2.662345369,32.71500462,16.35750231,24.32033932,32.71500462,4.089375577,16.35750255,7.11E-15,0.201008084,0.025126011,-1.283528122,27.88061685,3.485077107,2.662345369,32.71500462,16.35750231,24.32033932,32.71500462,4.089375577,16.35750255,7.11E-15,0.201008084,0.025126011,-1.283528122,27.88061685,3.485077107,2.662345369,32.71500462,16.35750231,24.32033932,32.71500462,4.089375577,16.35750255,7.11E-15,0.201008084,0.025126011,-1.283528122,27.88061685,3.485077107,2.662345369,32.71500462,16.35750231,24.32033932,32.71500462,4.089375577,16.35750255,7.11E-15,0.201008084,0.025126011,-1.283528122,27.88061685,3.485077107,2.662345369,32.71500462,16.35750231,24.32033932,32.71500462,4.089375577,16.35750255,7.11E-15,0.201008084,0.025126011,-1.283528122,27.88061685,3.485077107,2.662345369,38.19431594,19.03604686,29.26374565,38.10264927,4.762831159,19.03604687,-0.122222222,0.274627782,0.034328473,-1.033870894,27.14561644,3.393202055,2.640972461,0,11.89,12.11011416,-0.171487844,0.051085873,5.330870081,8.640630697,7,23,22,22,6,1,1,0,0,1,17.491312,3.622196597,3.124173529,2.666132122,2.333552793,2.230952672,1.550939358,1.204137948,0.083923071,1.921634214,1.668651626,1.405079439,1.249629723,1.133071315,0.666944597,0.183535682,0.083923071,3.639642161,3.16183671,2.71956585,2.405454588,2.300692898,1.634908331,1.301635664,0.270913902,1.87241705,1.591625864,1.305791814,1.134540686,1.018637485,0.525754363,0.089485528,0.270913902,3.720999143,3.326517984,2.950192786,2.704236987,2.592965485,1.994244749,1.668493896,0.943918427,1.738169426,1.35909127,0.995021767,0.76031856,0.648186101,0.063162405,0.269809062,0.943918427,3.65273994,3.18955506,2.758769068,2.457539916,2.351373029,1.696384808,1.370162778,0.399277246,1.841991703,1.542018636,1.240893336,1.058262671,0.942901686,0.431674001,0.023119094,0.399277246,3.7634349,3.405747053,3.058698678,2.838982085,2.725793947,2.160263363,1.813070198,1.207644823,1.699655176,1.285003762,0.892640763,0.631337262,0.521335811,0.094788211,0.415063276,1.207644823,3.64327114,3.209316422,2.863878515,2.591598066,2.415221136,1.749718572,1.421603732,0.558139535,1.84422648,1.492898009,1.121756536,0.917179462,0.853313016,0.346861521,0.03046465,0.558139535,0,0,0,0,2,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.426776695,0,0.176776695,0,1.207106781,0.666666667,0.666666667,0.905330086,0.5,0.5,6.568914101,3.680739213,3.009975955,1.882088123,0.788675135,0.333333333,0,0,0.821114263,0.525819888,0.376246994,0.268869732,0.197168784,0.166666667,0,0,6.414213562,3.310660172,2.530330086,1.478553391,0.625,0.25,0,0,0.801776695,0.472951453,0.316291261,0.211221913,0.15625,0.125,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,54,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,4,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.027175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.759305556,1.161111111,0,0,0,0,0,0,0,0,0,0,8.765138889,0,2.541018519,0,0,0,0,0,0,3.027175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.478564815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.225625,0.290277778,0,0,0,0,0,0,0,0,0,0,2.17162037,0,1.266203704,0,0,0,0,0,0,1.478564815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.548611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290277778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.214722222,0,1.274814815,0,0,0,0,0,0,1.548611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,1.791666667,0.290277778,2.214722222,0.026041667,1.266203704,4.58447912,0.233796296,0.214722222,1.530277778,0.233796296,0.214722222,1.530277778,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.5,0.25,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,8.00274,1.00034,9.01229,1.00955,0.12619,3.06498,0.38312,3.68073,0.61575,0.07697,0.23327,0.02916,0.23327,0.02916,0,7,0,0,0,0,0,0,0.75,0.918295834,1.636842188,2.833333333,2.948120313,3.29248125,2.910401042,22.03910002,39.28421252,68,70.7548875,79.01955001,69.84962501,0.200284263,0.357002307,0.617962161,0.642997693,0.718104292,0.634770959,3.666666667,2.948120313,1.751629167,1.636842188,1.29248125,1.674561459,0.200284263,0.357002307,0.617962161,0.642997693,0.718104292,0.634770959,6.73287657,15.35543282,17.47730113,18.85474488,19.20180045,14.61683795,31.59900002,20.01328438,19.57694219,17.55814531,16.90739375,14.6149125,8,3.9375,3.673469388,8,2,6,2.34,1.1928,1.72030651,3.150627212,4.521745165,0,1,2.149139864,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.099,0.064,0.179,0.192,3.66,8,7,4,2,0,0,0,0,0,36,2.197224577,2.564949357,2.564949357,2.079441542,1.609437912,0,0,0,0,0,3.951243719,1.416666667,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,3,5,0.666666667,2,1.111111111,0.375,0.16,0,0,0,0,0,0,0.285714286,0.138888889,0.053571429,0.04,0,0,0,0,0,0,0.518174603,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,0,144.287877,4,3.433987204,4.110873864,4.844187086,5.556828062,6.289715571,7.01301579,7.744569809,8.471568013,9.202207389,71.66695279,2.708050201,0,3.850147602,0,5.176149733,0,6.577861358,0,8.011355109,8.288283045,112.1252005,4.671883355,14.49604135,1.812005168,0,0,0,70,7,3.467,30,1.216880526,2.099221099,3.016942601,3.77094627,4.547247766,5.04983865,5.924816652,0,0,0,74.98105143,83.09384631,102.2254918,72.09492555,47.64949028,27.57649124,6.019992907,0,0,0,280.3885003,341.6193261,466.3493974,424.9726024,340.642127,326.2609378,184.1654866,0,0,0,8.854093482,14.91188095,21.47391942,26.48725319,31.3102652,34.73497801,39.80566739,0,0,0,2.118816907,2.757638659,3.887588408,3.898633905,3.470934858,3.598977714,2.634249943,0,0,0,174.329266,327.3699784,465.9405015,607.7453564,781.6892074,869.458757,1095.603184,0,0,0,2.764452346,3.785090335,5.659300443,6.312607347,6.317365176,7.073595156,5.924816652,0,0,0,0.43907366,0.579472001,0.820625943,0.836557921,0.759706847,0.795572373,0.606701225,0,0,0,341.2104725,147.0656186,9.044872947,60.57010271,-26.10640746,-3.548964063,280.6403698,173.1720261,12.59383701,0.849245816,0.366034666,0.022511972,0.150754184,-0.064976779,-0.00883309,137.0917399,59.08810884,3.634054255,24.33589071,-10.4890474,-1.425904823,0.071898463,0.178002302,1.275614104,0.772514665,401.7805752,0,1,0,451.4398665,21.24711431,7.671258831,611.8900136,24.73641069,8.48967611,758.8013317,27.54634879,9.121005021,1.385213481,1.340366004,569.278446,416.9994533,171.6199338,1.365177919,3.317088135,2.42978449,4.391433139,4.61482548,7.127625151,0.544505894,6.629606095,5.857911765,4.085203312,13.57580524,14.75130362,8.229551377,8.86045148,13.73871113,21.47950784,2.76134072,3.805893235,5.880961255,3.099330377,1.26E-06,9.16E-34,1.61E-82,5.57E-153,3.73E-245,0,0,0,0,0,0,0,0,0,0,0,0,0.556379092,5.827919885,0.25829782,5.429891212,2.845274841,0.420944354,3.630624941,2.482482186,1.015218547,0.041112969,0.933639776,0.463419789,0.021828838,8.89E-09,6.45E-36,1.13E-84,3.92E-155,2.63E-247,0,0,0,0,0,0,0,0,0,0,0,0,1.7960542,5.829924145,0.889525946,6.284218913,4.230984687,1.499614128,4.623110463,4.113370384,3.56780631,0.258323541,1.258098838,1.515828122,0.227473316,9.27E-08,6.72E-35,1.18E-83,4.09E-154,2.74E-246,0,0,0,0,0,0,0,0,0,0,0,0,6.25780749,5.85461897,3.797884447,12.79112352,13.65289277,7.569241543,8.513740855,12.81373947,19.65196552,2.475220883,3.537429473,5.530402412,2.761447567,1.13E-06,8.16E-34,1.43E-82,4.96E-153,3.33E-245,0,0,0,0,0,0,0,0,0,0,0,0,2.647052298,5.832522644,1.367360063,7.110726813,5.492383865,2.393070572,5.32669968,5.430895317,5.802458115,0.507804616,1.558572293,2.254137144,0.494102437,2.01E-07,1.46E-34,2.56E-83,8.88E-154,5.95E-246,0,0,0,0,0,0,0,0,0,0,0,0,8.006208983,5.871757492,5.209236927,16.80585396,19.23780078,10.88133822,10.17430403,17.43128139,28.89864082,3.956498524,4.905064102,7.200383344,4.520082073,1.84E-06,1.34E-33,2.34E-82,8.12E-153,5.44E-245,0,0,0,0,0,0,0,0,0,0,0,0,3.886387181,5.379542366,1.935056197,8.419328438,7.147959084,3.710626708,6.337072702,7.40123334,9.084997346,0.947990439,2.291114255,3.54198942,0.965502597,3.93E-07,2.85E-34,5.00E-83,1.73E-153,1.16E-245,0,0,0,0,0,0,0,0,0,0,0,0,4.778992438,2.237088207,0.399807761,0.644426153,0.301661525,0.512486878,0.489585391,0.499826857,7.415888406,13.49611112,25.18635535,0.46663923,1.501899126,3.63608646,1.446124879,0.086192249,0.703522161,0.279801075,0.296595889,0.202925796,0.023230233,5.168403588,5.696282318,11.31790501,0.555283241,0.522751919,4.089757844,1.760523612,0.210750151,0.674762666,0.290466001,0.37521426,0.301846888,0.13888423,6.061031607,8.433062953,16.01151994,0.512143998,0.815945377,4.750673772,2.217529717,0.392043525,0.645450317,0.301284687,0.506422274,0.480982564,0.480602159,7.360247014,13.26659933,24.75693089,0.468175476,1.468006997,4.292092348,1.900549573,0.266270735,0.664522432,0.294252249,0.413279874,0.352278115,0.221699146,6.458912655,9.806253591,18.43722564,0.496783649,0.987257135,4.8676572,2.298314035,0.424115513,0.64131773,0.302804712,0.531710445,0.517013027,0.562451997,7.590086748,14.22660443,26.56144312,0.461976594,1.611175468,4.759867599,2.221643547,0.392165561,0.645521602,0.301293864,0.508389573,0.482815947,0.480901411,7.373676706,13.31263737,24.83335866,0.468282403,1.47210693 +UMLMON0223,L,"2,3-Dimethyl-2-Hexene",CCCC(=C(C)C)C,23528,,"Sandia, UML",[1],C8H16,PubChem,,79.3,0,1.439,2.070721,46.0754,32.269446,0,0,32,10,22,0,10,0,0,0,0,0,0,0,0,0,1464.994618,1564.733025,2112.671244,2091.515002,1743.724424,1229.144957,526.953337,112.269024,9.144576,4919.011395,6335.857676,9083.808712,10792.06421,10177.23602,7938.511919,4972.743171,1900.685731,279.7536999,223.211368,224.452548,424.947504,573.17284,749.73392,623.940404,495.728164,304.725888,60.466176,37.67048391,49.59807482,74.87616159,94.24094931,96.20547231,77.15599031,53.08649559,24.02116915,4.001516144,5336.131905,4509.845254,9443.726441,12743.75143,18107.13546,15143.75824,12365.68473,8130.523715,1664.258868,52.09027778,61.75,95.16666667,134.7083333,155.8333333,130.25,100,51,9,45.78108181,50.47525887,35.2111874,25.82117286,16.14559652,13.65716619,7.318796347,2.4948672,1.016064,153.7191061,204.3825057,151.3968119,133.2353607,94.23366687,88.20568799,69.06587737,42.23746069,31.08374443,6.97535525,7.240404774,7.0824584,7.076207901,6.941980741,6.932671156,6.885113389,6.7716864,6.718464,1.177202622,1.599937897,1.247936026,1.16346851,0.89079141,0.857288781,0.737312439,0.533803759,0.444612905,166.754122,145.4788792,157.3954407,157.3302646,167.6586617,168.2639804,171.7456212,180.6783048,184.917652,1.627821181,1.991935484,1.586111111,1.663065844,1.442901235,1.447222222,1.388888889,1.133333333,1,0.04338746,-0.009756273,0.007490395,-0.025600236,0.00299205,-0.004328236,-0.010178748,0.01293045,0.004756868,832.3288119,-57.22260582,119.1743526,-555.6740647,-24.59153308,-146.6033703,-162.6824496,305.029593,106.405672,1547.750967,-106.407879,221.6097976,-1033.299652,-45.72900585,-272.6152272,-302.5149618,567.2155534,197.8658907,0.1630475,-0.011209516,0.023345438,-0.108852734,-0.004817313,-0.028718594,-0.031868375,0.059753203,0.020844141,6.919166958,-0.475692728,0.990698905,-4.619330214,-0.204429933,-1.218716907,-1.352382633,2.535717436,0.884552594,37.58502473,-2.58397045,5.381492178,-25.09227503,-1.11046664,-6.620089584,-7.346163925,13.77405736,4.80490373,4.355685764,-2.336107042,1.465901693,-1.558532715,-0.00382487,0.385701497,-1.448730469,0.87677002,0.440979004,0.001355858,-3.15E-04,1.25E-04,-3.16E-04,2.77E-05,-4.81E-05,-1.41E-04,2.87E-04,5.29E-04,26.01027537,-1.84589051,1.98623921,-6.860173639,-0.22769938,-1.628926336,-2.259478467,6.7784354,11.82285244,48.36721773,-3.432512226,3.693496627,-12.75678582,-0.423416721,-3.02905808,-4.201596692,12.60479008,21.98509897,0.005095234,-3.62E-04,3.89E-04,-0.001343861,-4.46E-05,-3.19E-04,-4.43E-04,0.001327849,0.002316016,0.216223967,-0.015344927,0.016511648,-0.057028768,-0.00189287,-0.013541299,-0.018783092,0.056349276,0.098283622,1.174532023,-0.083353885,0.089691536,-0.309781173,-0.010282099,-0.073556551,-0.102030055,0.306090164,0.533878192,0.13611518,-0.075358292,0.024431695,-0.019241145,-3.54E-05,0.004285572,-0.020121257,0.019483778,0.048997667,-0.232117568,0.092074474,-0.233101305,0.020432939,-0.035469431,-0.104267173,0.211927293,0.389820166,-0.070967742,0.076363636,-0.263748597,-0.008754209,-0.062626263,-0.086868687,0.260606061,0.454545455,-0.070967742,0.076363636,-0.263748597,-0.008754209,-0.062626263,-0.086868687,0.260606061,0.454545455,-0.070967742,0.076363636,-0.263748597,-0.008754209,-0.062626263,-0.086868687,0.260606061,0.454545455,-0.070967742,0.076363636,-0.263748597,-0.008754209,-0.062626263,-0.086868687,0.260606061,0.454545455,-0.070967742,0.076363636,-0.263748597,-0.008754209,-0.062626263,-0.086868687,0.260606061,0.454545455,-0.553636204,0.179492801,-0.141359286,-2.60E-04,0.031484895,-0.14782522,0.143141846,0.359972099,1.764162459,0.952365192,1.377108227,0.908184456,0.957163612,0.996844996,0.369373323,2.51E-08,1.6,1.127272727,1.447362514,0.918518519,0.951919192,0.876767677,0.300606061,0,1.6,1.127272727,1.447362514,0.918518519,0.951919192,0.876767677,0.300606061,0,1.6,1.127272727,1.447362514,0.918518519,0.951919192,0.876767677,0.300606061,0,1.6,1.127272727,1.447362514,0.918518519,0.951919192,0.876767677,0.300606061,0,1.6,1.127272727,1.447362514,0.918518519,0.951919192,0.876767677,0.300606061,0,2.165113846,0.647461512,1.235613572,0.945930834,0.92012024,1.161476758,0.474475612,0,52.27509973,26.13754986,38.45794636,52.27509973,5.227509973,26.13754986,-7.11E-15,0.077277354,0.007727735,-2.560354325,66.09421116,6.609421116,4.191081166,52.27509973,26.13754986,38.45794636,52.27509973,5.227509973,26.13754986,-7.11E-15,0.077277354,0.007727735,-2.560354325,66.09421116,6.609421116,4.191081166,52.27509973,26.13754986,38.45794636,52.27509973,5.227509973,26.13754986,-7.11E-15,0.077277354,0.007727735,-2.560354325,66.09421116,6.609421116,4.191081166,52.27509973,26.13754986,38.45794636,52.27509973,5.227509973,26.13754986,-7.11E-15,0.077277354,0.007727735,-2.560354325,66.09421116,6.609421116,4.191081166,52.27509973,26.13754986,38.45794636,52.27509973,5.227509973,26.13754986,-7.11E-15,0.077277354,0.007727735,-2.560354325,66.09421116,6.609421116,4.191081166,52.27509973,26.13754986,38.45794636,52.27509973,5.227509973,26.13754986,-7.11E-15,0.077277354,0.007727735,-2.560354325,66.09421116,6.609421116,4.191081166,70.6179413,35.14126232,53.12056451,70.34960797,7.034960797,35.14126232,-0.335416667,0.065912402,0.00659124,-2.719428664,49.3764527,4.93764527,3.899473645,0,11.89,12.11015511,-0.167977474,0.052636263,5.559256875,9.685442284,9,31,31,31,9,0,0,0,0,0,24.050554,3.631303663,3.293474355,2.797066796,2.689164194,2.333552793,2.210821848,1.764254176,1.661441681,1.976249117,1.769289644,1.49338183,1.432322446,1.249629723,1.111252981,0.848893008,0.797642817,3.653531,3.3252718,2.847637934,2.743856529,2.405454588,2.28021436,1.851773024,1.754485244,1.92374206,1.699841816,1.399573079,1.333538944,1.134540686,0.996851104,0.716742518,0.661010472,3.753024995,3.466172758,3.064889637,2.977675964,2.704236987,2.571580149,2.211931469,2.13477535,1.773234449,1.494423178,1.107032719,1.022786582,0.76031856,0.626704931,0.278705959,0.204817552,3.669999445,3.348770346,2.884663781,2.783843727,2.457539916,2.330678288,1.915015888,1.821570824,1.890651576,1.655475239,1.338368331,1.268867505,1.058262671,0.921145694,0.628512425,0.569549131,3.802529856,3.535112638,3.166894928,3.086716031,2.838982085,2.704206754,2.371874797,2.302312663,1.727541706,1.430353956,1.010768104,0.919620095,0.631337262,0.500104804,0.12470846,0.043067867,3.627644116,3.367557871,2.996451771,2.914812091,2.634654398,2.419707023,2.005691327,1.906695169,1.921022053,1.620649342,1.216571837,1.126346287,0.878556837,0.804612839,0.507202504,0.450856426,0,0,0,0,0,5,3,1,1,0,0,0,0,0,0,0,0,0,0,1.495781916,0.25,0,0,1.495781916,0.25,0,0,1.779365372,2.059348469,1.928921625,1.779365372,2.059348469,1.928921625,8.198670613,4.515167194,4.235311104,2.555077777,1.2319982,0.637136847,0.102062073,0,0.819867061,0.501685244,0.352942592,0.255507778,0.153999775,0.127427369,0.102062073,0,8.198670613,4.515167194,4.235311104,2.555077777,1.2319982,0.637136847,0.102062073,0,0.819867061,0.501685244,0.352942592,0.255507778,0.153999775,0.127427369,0.102062073,0,15.96010584,30.76620539,28.98039216,29.36,18.7840994,246.5681114,0.498753308,0.961443918,0.905637255,0.9175,0.587003106,7.705253481,3.8588,48.144,26.13754986,38.45794636,52.27509973,5.227509973,26.13754986,0.077277354,0.007727735,-2.560354325,66.09421116,6.609421116,4.191081166,81,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,5,0,3,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,11.61956019,0,4.000763889,0,0,0,0.898101852,0,0,0,0,0,0.564907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.274212963,0,1.302916667,0,0,0,0.898101852,0,0,0,0,0,0.564907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.360277778,0,1.375,0,0,0,0.898101852,0,0,0,0,0,0.564907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.08333333,1.708333333,0.2,2.360277778,0,0.564907407,7.468113796,0.685092593,0.360277778,3.23912037,0.685092593,0.360277778,3.23912037,5,0.5,0,0,0.425,0.7,0.425,0.425,0.7,0,0,0,0,0.71429,0,0,0.5,0.1,0.1,4.5,0.45,4.5,0.45,0,0,-4.5,-0.45,0,0,13.07057,1.30706,13.07057,0,0,4.51516,0.45152,4.51516,0,0,0.39884,0.03988,0.39884,0.03988,0,9,0,0,0,0,0,0,1,0.896038233,1.422749263,2.558964564,3.569548828,3.694548828,3.350798828,28.67322344,45.52797641,81.88686606,114.2255625,118.2255625,107.2255625,0.179207647,0.284549853,0.511792913,0.713909766,0.738909766,0.670159766,4.103961767,3.577250737,2.441035436,1.430451172,1.305451172,1.649201172,0.180864499,0.287180639,0.51652466,0.72051017,0.745741306,0.676355683,6.667318507,12.98785087,18.38024006,19.39873218,18.83769937,15.82741326,39.63994499,28.3674346,22.18409269,19.67556367,20.00460508,21.27575156,10,4,4.48,10,0,7,2.56,1.5176,2.623267021,6.004199232,2.125707501,2.648059603,1.190550789,2.080083823,2.080083823,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.131,0.009,0.004,4.124,12,10,8,5,1,0,0,0,0,55,2.302585093,2.564949357,2.397895273,2.197224577,1.791759469,0.693147181,0,0,0,0,4.025351691,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.444444444,9,1,1,3,6,1,4,1.333333333,0.75,0.32,0.055555556,0,0,0,0,0,0.444444444,0.111111111,0.075,0.04,0.011111111,0,0,0,0,0,0.681666667,26.13754986,38.45794636,52.27509973,5.227509973,26.13754986,0.077277354,0.007727735,-2.560354325,66.09421116,6.609421116,4.191081166,0,181.516305,4.321928095,3.761200116,4.465908119,5.303304908,6.033086222,6.876264612,7.611347717,8.456381052,9.192888978,10.03867383,80.73905555,2.944438979,0,4.204692619,0,5.645446898,0,7.150701458,0,8.687610844,8.933136544,142.1721507,4.44287971,18.25157703,1.825157703,0,0,0,126,10,5.945,42,1.232032258,2.124770322,2.926159635,3.496864402,4.128613317,4.98818029,6.279816121,8.149714457,0,0,73.3510472,85.38199855,81.96202804,64.48160674,69.43340873,45.17287516,17.93228805,8.28063147,0,0,277.889902,351.5298912,407.8777097,352.6094644,405.0820583,386.2408786,282.3268639,253.3236414,0,0,8.95613516,15.11490047,20.74578486,24.32818843,28.72975398,34.50721896,42.6064625,54.75356319,0,0,2.112699944,2.832729608,3.51354958,3.256414932,3.800246972,3.984260396,3.488796925,3.623468219,0,0,177.010611,329.6808697,457.5375099,582.4562517,686.7540829,843.9647063,1128.133416,1507.026062,0,0,2.500276882,3.507036018,4.94689683,5.11798081,6.173904793,7.298671165,7.321342401,8.149714457,0,0,0.438284758,0.594942372,0.74579493,0.701179529,0.819969968,0.871858293,0.786367187,0.83453076,0,0,413.5053262,223.1601779,10.03253886,143.7517858,-77.57983287,-8.575521772,269.7535404,300.7400108,18.60806063,0.742036875,0.400461785,0.018003429,0.257963125,-0.139217304,-0.015388806,230.4287839,124.3575963,5.59070363,80.10670502,-43.23191362,-4.778770497,0.055257491,0.120505115,0.556196043,6.866978722,557.2571121,0,1,0,558.7341223,23.63755745,8.236355148,771.8489161,27.78216903,9.17298675,1080.418817,32.86972493,10.26118174,2.077868105,2.077868105,821.1464482,786.9980821,170.5117842,1.04339066,4.815775357,4.615505526,4.60331556,4.466158665,8.836778877,0.978608361,6.135820607,8.580015109,3.538140431,44.22605875,10.12356272,21.7727246,12.11094138,20.43837398,12.73332827,6.600731938,5.982037061,8.571535741,5.545364375,0.860264984,2.474850258,0.241081057,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.514936257,8.539909222,0.215062498,14.13773567,3.041422185,1.916382876,0.904242142,0.964478546,3.230356324,0.21241531,0.186775169,0.348417267,0.157389909,0.859561028,0.112752628,0.00169802,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.662277437,8.548032934,0.748193847,18.00143627,3.535819404,4.550289365,2.595963597,3.487529544,4.364855184,0.910074063,0.809344678,1.344081525,0.7110199,0.859696021,0.426540802,0.017694156,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,5.791713688,8.577537655,3.283344211,41.5782037,9.353489505,20.05506899,11.21409929,18.73253142,11.86668872,5.995143289,5.429016001,7.826552776,5.022299421,0.860218811,2.270681911,0.214798927,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,2.449891529,8.553628241,1.157278663,21.33012135,4.157644103,6.779772321,3.934184113,5.650649725,5.38275154,1.569027705,1.403103688,2.230325986,1.253238849,0.859791273,0.691937989,0.038433908,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,7.409894105,8.589213214,4.539851308,54.94487848,13.35687867,28.70248683,15.67086429,27.33756875,16.26555799,9.086503314,8.254710944,11.60415642,7.701421881,0.860439437,3.298422411,0.351593848,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,3.854504767,6.990190436,1.586371434,26.97158138,5.85455501,11.99790961,6.065040315,9.770799208,6.915188725,2.882591734,2.686825427,4.163098444,2.166813776,1.178545323,1.272864568,0.082607487,0.047741563,5.41E-20,1.18E-59,4.98E-121,4.04E-204,0.00E+00,0,0,0,0,0,0,0,0,5.971390427,1.241976874,0.961561427,0.73045168,0.151925101,0.480378242,0.49612135,0.414936674,8.174928727,14.35242457,29.65860901,0.595677521,1.391436265,5.055819092,0.723163463,0.480087442,0.807758836,0.115538485,0.344247659,0.167519587,0.103091721,6.259069996,6.430600593,14.44495844,0.711638253,0.614858966,5.430519009,0.935283693,0.677357556,0.771034423,0.132793186,0.3972202,0.28060001,0.205544331,7.043160258,9.391000436,19.87451112,0.656551635,0.883364541,5.949807662,1.229728868,0.950231485,0.731854544,0.15126248,0.476908422,0.486327961,0.405191975,8.129768014,14.1388719,29.22115133,0.597781816,1.368428357,5.592740509,1.027212064,0.762660485,0.757555687,0.139139361,0.421331166,0.338721065,0.260726811,7.382613058,10.79370676,22.55775132,0.636333531,1.020779042,6.038623059,1.280135467,0.996850159,0.72617932,0.153943688,0.491267833,0.527267844,0.446031557,8.315608685,15.02596115,31.04747631,0.58926898,1.464567234,5.964749604,1.232421598,0.952213538,0.731926372,0.151228791,0.479316163,0.488715033,0.406958516,8.14938474,14.20433009,29.35351867,0.597889557,1.374989712 +UMLMON0224,L,"3,3,5-Trimethylheptane",CCC(C)CC(C)(C)CC,23544,,"Sandia, UML",[1],C10H22,PubChem,,88.7,0,1.4138,1.99883044,32.9503,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1250.044159,1205.684934,651.912242,153.584928,12.192768,0,0,3399.790734,4147.41404,5455.451468,6043.07873,4805.668928,2142.045985,373.0049332,0,0,146.842108,144.889944,255.20326,324.759192,375.617864,286.167168,80.621568,0,0,25.74688067,32.32302034,45.12577094,52.57906413,47.4277504,25.36305606,5.335354858,0,0,3476.407621,2904.481805,5646.065419,7299.004401,8979.043697,7448.590342,2219.011824,0,0,42.55555556,47.11111111,63.66666667,86,94.66666667,58,12,0,0,48.76541633,51.7541979,34.72344886,26.21054204,12.07244893,3.656784,1.016064,0,0,161.8947969,207.370702,151.5403185,131.3712767,88.99386904,51.00109489,31.08374443,0,0,6.992481333,7.2444972,7.088979444,7.059982435,6.95588637,6.813504,6.718464,0,0,1.226041937,1.616151017,1.253493637,1.143023133,0.878291674,0.603882287,0.444612905,0,0,165.54322,145.2240902,156.8351505,158.6740087,166.278587,177.3473891,184.917652,0,0,2.026455026,2.355555556,1.768518519,1.869565217,1.75308642,1.380952381,1,0,0,0.047499648,-0.012245035,-0.006659622,0.00265109,-0.023341202,0.001006408,0.014838538,0,0,564.9747087,-53.80711511,2.95E-13,-228.6802392,-322.8426907,161.4213453,161.4213453,0,0,1050.594596,-100.0566282,-2.84E-14,-425.2406698,-600.3397692,300.1698846,300.1698846,0,0,0.110674667,-0.010540444,1.02E-15,-0.044796889,-0.063242667,0.031621333,0.031621333,0,0,4.696646663,-0.447299682,4.75E-15,-1.901023649,-2.683798093,1.341899046,1.341899046,0,0,25.51225921,-2.429738973,1.35E-14,-10.32639063,-14.57843384,7.289216918,7.289216918,0,0,6.105820106,-2.053162006,0.114890401,0.72058453,-2.198034769,-0.846560847,1.209372638,0,0,0.002261888,-6.12E-04,-1.85E-04,5.76E-05,-4.32E-04,2.40E-05,0.001236545,0,0,26.90355756,-2.690355756,8.19E-15,-4.971309548,-5.978568346,3.843365365,13.45177878,0,0,50.0283141,-5.00283141,-7.89E-16,-9.244362388,-11.11740313,7.146902014,25.01415705,0,0,0.005270222,-5.27E-04,2.84E-17,-9.74E-04,-0.00117116,7.53E-04,0.002635111,0,0,0.223649841,-0.022364984,1.32E-16,-0.041326601,-0.049699965,0.031949977,0.111824921,0,0,1.214869486,-0.121486949,3.76E-16,-0.224486753,-0.269970997,0.173552784,0.607434743,0,0,0.290753338,-0.1026581,0.0031914,0.015664881,-0.040704348,-0.020156211,0.100781053,0,0,-0.270681736,-0.081785441,0.025479769,-0.19109898,0.010593846,0.546687053,0,0,-0.1,3.04E-16,-0.184782609,-0.222222222,0.142857143,0.5,0,0,-0.1,-1.58E-17,-0.184782609,-0.222222222,0.142857143,0.5,0,0,-0.1,5.39E-15,-0.184782609,-0.222222222,0.142857143,0.5,0,0,-0.1,5.89E-16,-0.184782609,-0.222222222,0.142857143,0.5,0,0,-0.1,3.10E-16,-0.184782609,-0.222222222,0.142857143,0.5,0,0,-0.353076256,0.010976314,0.053876874,-0.139996149,-0.06932409,0.346620451,0,0,1.564371244,0.963078092,0.955395702,1.183930077,0.807092707,0.188620305,0,0,1.5,1.130952381,1.257763975,1.111111111,0.510204082,0,0,0,1.5,1.130952381,1.257763975,1.111111111,0.510204082,0,0,0,1.5,1.130952381,1.257763975,1.111111111,0.510204082,0,0,0,1.5,1.130952381,1.257763975,1.111111111,0.510204082,0,0,0,1.5,1.130952381,1.257763975,1.111111111,0.510204082,0,0,0,1.719670711,0.722848065,0.822846809,1.219911419,1.091854419,0,0,0,25.35151628,12.67575814,18.59510582,25.35151628,3.621645183,12.67576696,0,0.049371259,0.007053037,-2.105870775,24.20116,3.457308572,2.230480396,25.35151628,12.67575814,18.59510582,25.35151628,3.621645183,12.67576696,0,0.049371259,0.007053037,-2.105870775,24.20116,3.457308572,2.230480396,25.35151628,12.67575814,18.59510582,25.35151628,3.621645183,12.67576696,0,0.049371259,0.007053037,-2.105870775,24.20116,3.457308572,2.230480396,25.35151628,12.67575814,18.59510582,25.35151628,3.621645183,12.67576696,0,0.049371259,0.007053037,-2.105870775,24.20116,3.457308572,2.230480396,25.35151628,12.67575814,18.59510582,25.35151628,3.621645183,12.67576696,0,0.049371259,0.007053037,-2.105870775,24.20116,3.457308572,2.230480396,25.35151628,12.67575814,18.59510582,25.35151628,3.621645183,12.67576696,0,0.049371259,0.007053037,-2.105870775,24.20116,3.457308572,2.230480396,40.10474213,19.81030757,30.35860868,39.75893714,5.679848163,19.81030758,-0.484126984,0.107632549,0.015376078,-1.560322523,18.73768826,2.676812608,2.051375837,0,11.79,12.21004853,-0.305320502,0.114987096,5.445298501,8.439504935,6,20,19,19,5,1,1,0,0,1,15.304898,3.565292782,3.03540741,2.613997346,2.333552793,1.675597955,1.102262358,0.739985602,0.083923071,1.918530136,1.567383032,1.347093373,1.249629723,0.723890459,0.413791041,0.25831699,0.083923071,3.587893338,3.070703907,2.667854002,2.405454588,1.758753628,1.212231904,0.877930762,0.270913902,1.864414094,1.489651661,1.250062434,1.134540686,0.594479685,0.260418366,0.090857889,0.270913902,3.689315046,3.227910323,2.898784453,2.704236987,2.103995223,1.65828376,1.412692074,0.943918427,1.709971514,1.259528981,0.943388844,0.76031856,0.16847813,0.260486965,0.493410186,0.943918427,3.60465101,3.096841155,2.707282414,2.457539916,1.819036029,1.291408817,0.975588878,0.399277246,1.83036919,1.439958679,1.186389042,1.058262671,0.508292341,0.15709758,0.022962003,0.399277246,3.739949465,3.30509823,3.006588766,2.838982085,2.258667486,1.852025978,1.635232374,1.207644823,1.66329552,1.18785523,0.841385993,0.631337262,0.01997399,0.448556552,0.71226082,1.207644823,3.594277243,3.199972629,2.786274055,2.519174164,1.847416484,1.350680593,1.023095843,0.512195122,1.904964007,1.369231409,1.036671855,0.982588798,0.463067975,0.081833427,0.102832313,0.512195122,0,0,1,1,0,3,0,2,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.525783423,0,0.19245009,0,1.276142375,0.707106781,0.23570226,1.046766366,0.40824829,0.136082763,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,5.439157589,2.806965765,2.338835953,1.42335187,0.272165527,0,0,0,0.777022513,0.467827627,0.334119422,0.237225312,0.136082763,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.39069,33.929,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,5,1,0,2,0,0,0,0,0,0,0,0,3,1,0,0,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.672592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.370972222,0.300694444,0,0,1.228333333,0.290277778,0,0.671666667,0,0,0,0,0,0,0,0,6.579722222,3.681851852,0,0,1.990740741,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.990740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.370972222,0.300694444,0,0,0.225625,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.178240741,3.681851852,0,0,1.990740741,0,0.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.681851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.370972222,0.300694444,0,0,0.290277778,0.290277778,0,0.370972222,0,0,0,0,0,0,0,0,2.200740741,3.681851852,0,0,1.990740741,0,0.747685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.952380952,0.370972222,3.681851852,0.225625,0.666666667,5.171775833,0.666666667,0.681851852,2.523148148,0.666666667,0.681851852,2.523148148,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0.28571,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.16198,0.88028,7.55695,1.39497,0.19928,2.64272,0.37753,3.18073,0.53801,0.07686,0.23327,0.03332,0.23327,0.03332,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.127387765,2.843301946,3.236857303,3.027699331,2.191067441,19.28421252,44.67514307,59.70934087,67.97400337,63.58168595,46.01241626,0.209068641,0.484342902,0.647335261,0.736936107,0.68931706,0.498840869,3.474021589,2.264929658,1.549015477,1.155460119,1.364618092,2.201249982,0.209068641,0.484342902,0.647335261,0.736936107,0.68931706,0.498840869,6.73287657,15.74885826,17.91238428,18.30901922,15.79912355,8.058641897,27.64912502,18.81705526,16.14024519,15.72677782,14.47182999,10.49782851,7,3.06122449,2.666666667,7,2,5,2.23,1.0519,1.944161297,1.941967087,4.930998067,0,0,1.414213562,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.144,0.14,0.089,0.137,2.704,7,6,2,0,0,0,0,0,0,28,2.079441542,2.197224577,2.197224577,1.609437912,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,2,1.111111111,0.25,0,0,0,0,0,0,0,0.333333333,0.158730159,0.041666667,0,0,0,0,0,0,0,0.533730159,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,0,126.9918924,3.807354922,3.295836866,3.970291914,4.691347882,5.398162702,6.120297419,6.834108739,7.556427969,8.272059622,8.994296558,68.13282967,2.564949357,0,3.713572067,0,5.056245805,0,6.463029457,0,7.890956716,8.168486417,98.10955045,4.671883355,12.50524286,1.786463266,0,0,0,46,6,3.831,26,1.2236,2.12895244,2.927336539,3.543158958,4.239426614,5.439833782,0,0,0,0,73.7959167,83.81884596,84.8831118,49.10181354,17.45662174,5.527219272,0,0,0,0,278.2003652,350.4277317,406.636193,337.418629,230.9528922,169.090403,0,0,0,0,8.897867644,15.15328829,20.71201403,24.71213761,28.95567337,36.54732743,0,0,0,0,2.110244062,2.836954539,3.476967904,3.259079858,2.677963218,2.4186203,0,0,0,0,175.6104775,329.5213266,461.3240525,584.1422883,746.2497583,1005.92129,0,0,0,0,2.935777778,3.921586357,5.636619749,6.463046534,6.120756198,5.439833782,0,0,0,0,0.43759575,0.596197725,0.737533666,0.705440967,0.597250572,0.557038979,0,0,0,0,347.1170594,151.9600096,10.393001,128.121806,-56.0888333,-8.063138946,218.9952533,208.0488429,18.45613994,0.730405454,0.319755013,0.021869005,0.269594546,-0.118022404,-0.016966497,164.9635175,72.21730257,4.939158002,60.88846174,-26.6555935,-3.831917004,0.129990543,0.233834906,2.099229663,5.235900227,475.2388654,0,1,0,393.1393776,19.82774263,7.32569526,529.3948196,23.00858143,8.089590956,651.4395304,25.52331347,8.668781095,1.340707606,1.281441922,366.2892296,268.4728533,126.9132064,1.364343639,2.88613959,2.115405172,3.854512688,3.477616438,6.522110511,0.875454245,4.149594424,4.863358144,3.251662307,18.30627514,7.188080907,4.117169293,8.406518829,12.64965327,4.762890705,1.307486916,0.680943934,1.904596212,2.41E-10,5.90E-42,2.78E-95,2.53E-170,4.43E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348257413,4.863166875,0.196488877,7.216247957,2.01652655,0.244033409,0.743973091,0.583563103,0.843250528,0.059980316,0.035428352,0.013414227,1.70E-12,4.15E-44,1.96E-97,1.78E-172,3.12E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,1.124191339,4.863180135,0.684632581,8.801171941,2.394773585,0.847503339,2.046267299,2.198796159,1.186530993,0.226404147,0.128678013,0.139786586,1.77E-11,4.33E-43,2.04E-96,1.85E-171,3.25E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,3.916879296,4.863337314,3.016697619,17.38721927,6.631848347,3.813861947,7.844808964,11.61108303,4.361331847,1.199906545,0.627801015,1.696960935,2.15E-10,5.25E-42,2.48E-95,2.25E-170,3.95E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.656845653,4.863196893,1.059955439,10.09071848,2.855555707,1.317326233,3.017983723,3.559306608,1.557816139,0.366842895,0.204126536,0.303635144,3.85E-11,9.40E-43,4.43E-96,4.03E-171,7.06E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,5.011233796,4.863445625,4.176050746,21.98177761,9.519645791,5.315341307,10.59143422,16.8355172,6.433168547,1.741243984,0.893178314,2.777674578,3.52E-10,8.60E-42,4.05E-95,3.69E-170,6.46E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,2.268877043,3.242421163,1.36176965,10.24732126,4.015590412,2.089064696,4.514278629,5.11851906,2.526614017,0.689514945,0.283170998,0.499659089,6.33E-11,1.55E-42,7.29E-96,6.63E-171,1.16E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,3.231765065,1.814860385,0.521721408,0.580381422,0.32592445,0.475938476,0.542098257,0.474939161,5.568346858,8.498134925,17.12648343,0.370572132,1.492975894,2.60513677,1.147423686,0.148389197,0.667821172,0.294139578,0.301725753,0.207102812,0.037936216,3.900949653,3.546035068,7.890549061,0.501731758,0.546764781,2.853159416,1.413017789,0.297008496,0.625256039,0.309655991,0.365186277,0.319801525,0.153248601,4.563185701,5.298655885,11.05925065,0.437884058,0.838236403,3.216164188,1.798393581,0.512509031,0.58189349,0.325379382,0.471028622,0.531725771,0.458290392,5.527066801,8.353935177,16.84531784,0.372840235,1.461044784,2.964071926,1.531206406,0.363093233,0.610095767,0.31516865,0.395849437,0.378584007,0.229507047,4.858371565,6.170811063,12.67711972,0.41514365,1.003940491,3.280636638,1.86639181,0.550555246,0.575794374,0.327576023,0.491517928,0.575267203,0.528946412,5.697583694,8.956676867,18.02528465,0.363691561,1.595731542,3.239065437,1.798751796,0.511443066,0.583693188,0.324142624,0.476709771,0.530010526,0.456468413,5.549260299,8.402831464,16.9318996,0.375539783,1.463188709 +UMLMON0225,L,"3,4-dimethyl-1-pentene",CC(C)C(C)C=C,23866,,"Sandia, UML",[1],C7H14,PubChem,,80.9,0,2.3095,5.33379025,34.7352,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1216.771087,1174.35831,679.08893,184.911552,18.289152,0,0,3399.790734,4147.41404,5204.492852,5596.019286,4870.125077,2589.105429,559.5073998,0,0,146.842108,144.889944,254.005756,263.49468,336.504584,347.43168,120.932352,0,0,25.74688067,32.32302034,43.11897672,47.23968518,46.76686718,30.70243501,8.003032287,0,0,3476.407621,2904.481805,5741.450732,5698.335742,7774.152472,9049.259002,3328.517736,0,0,37.80555556,45.27777778,62.66666667,71.16666667,81,63,18,0,0,48.76541633,51.7541979,33.79919686,31.73941378,14.14768604,3.625716706,1.016064,0,0,161.8947969,207.370702,144.5692459,151.2437645,101.4609391,50.76677312,31.08374443,0,0,6.992481333,7.2444972,7.055715444,7.121477838,7.010512167,6.812385882,6.718464,0,0,1.226041937,1.616151017,1.197749353,1.276748248,0.974309733,0.60200853,0.444612905,0,0,165.54322,145.2240902,159.4847426,154.0090741,161.9615098,177.436451,184.917652,0,0,1.80026455,2.263888889,1.740740741,1.923423423,1.6875,1.235294118,1,0,0,0.032400449,0.003116075,3.38E-04,-0.022608921,-0.021707055,0.013166372,0.011495371,0,0,564.9747087,-53.80711511,121.066009,-269.0355756,-524.6193723,201.7766817,242.132018,0,0,1050.594596,-100.0566282,225.1274134,-500.283141,-975.5521249,375.2123557,450.2548269,0,0,0.110674667,-0.010540444,0.023716,-0.052702222,-0.102769333,0.039526667,0.047432,0,0,4.696646663,-0.447299682,1.006424285,-2.236498411,-4.361171901,1.677373808,2.01284857,0,0,25.51225921,-2.429738973,5.466912688,-12.14869486,-23.68995498,9.111521147,10.93382538,0,0,3.518518519,-1.290123457,1.12037037,-0.672839506,-2.907407407,0.601851852,1.388888889,0,0,0.001542879,1.56E-04,9.39E-06,-6.11E-04,-4.52E-04,2.58E-04,6.39E-04,0,0,26.90355756,-2.690355756,3.362944694,-7.271231772,-10.92957026,3.956405523,13.45177878,0,0,50.0283141,-5.00283141,6.253539262,-13.52116597,-20.3240026,7.357105014,25.01415705,0,0,0.005270222,-5.27E-04,6.59E-04,-0.001424384,-0.002141028,7.75E-04,0.002635111,0,0,0.223649841,-0.022364984,0.02795623,-0.060445903,-0.090857748,0.032889683,0.111824921,0,0,1.214869486,-0.121486949,0.151858686,-0.328343104,-0.493540729,0.178657277,0.607434743,0,0,0.167548501,-0.064506173,0.031121399,-0.018184852,-0.060570988,0.011801017,0.077160494,0,0,0.100982513,0.006084083,-0.396046668,-0.293108169,0.167326302,0.413922231,0,0,-0.1,0.125,-0.27027027,-0.40625,0.147058824,0.5,0,0,-0.1,0.125,-0.27027027,-0.40625,0.147058824,0.5,0,0,-0.1,0.125,-0.27027027,-0.40625,0.147058824,0.5,0,0,-0.1,0.125,-0.27027027,-0.40625,0.147058824,0.5,0,0,-0.1,0.125,-0.27027027,-0.40625,0.147058824,0.5,0,0,-0.385,0.185745614,-0.108534851,-0.361513158,0.070433437,0.460526316,0,0,1.251733078,1.287001458,1.669585361,1.118146346,0.452776382,0.00533375,0,0,1.5,0.952380952,1.447876448,1.383928571,0.504201681,0,0,0,1.5,0.952380952,1.447876448,1.383928571,0.504201681,0,0,0,1.5,0.952380952,1.447876448,1.383928571,0.504201681,0,0,0,1.5,0.952380952,1.447876448,1.383928571,0.504201681,0,0,0,1.5,0.952380952,1.447876448,1.383928571,0.504201681,0,0,0,1.863157895,0.660087719,1.197012802,1.470394737,0.66873065,0,0,0,23.95673957,11.97836979,16.99818299,23.95673957,3.422391368,11.97838688,1.78E-15,0.138072152,0.019724593,-1.385985222,36.23415696,5.176308136,2.513001565,23.95673957,11.97836979,16.99818299,23.95673957,3.422391368,11.97838688,1.78E-15,0.138072152,0.019724593,-1.385985222,36.23415696,5.176308136,2.513001565,23.95673957,11.97836979,16.99818299,23.95673957,3.422391368,11.97838688,1.78E-15,0.138072152,0.019724593,-1.385985222,36.23415696,5.176308136,2.513001565,23.95673957,11.97836979,16.99818299,23.95673957,3.422391368,11.97838688,1.78E-15,0.138072152,0.019724593,-1.385985222,36.23415696,5.176308136,2.513001565,23.95673957,11.97836979,16.99818299,23.95673957,3.422391368,11.97838688,1.78E-15,0.138072152,0.019724593,-1.385985222,36.23415696,5.176308136,2.513001565,23.95673957,11.97836979,16.99818299,23.95673957,3.422391368,11.97838688,1.78E-15,0.138072152,0.019724593,-1.385985222,36.23415696,5.176308136,2.513001565,27.36749176,13.63930143,19.88193222,27.30399969,3.900571385,13.63930442,-0.088888889,0.198817513,0.028402502,-1.130757528,27.28091668,3.897273812,2.314331205,0,11.89,12.11009426,-0.17149268,0.051060651,5.53474388,8.326256213,6,20,19,19,5,1,1,0,0,1,15.304898,3.60851281,2.944454247,2.579419807,2.333552793,1.823506219,1.268967928,0.083923071,0.083923071,1.907231508,1.569740786,1.369182976,1.249629723,0.859084142,0.183929317,0.083923071,0.083923071,3.625840687,2.988480225,2.638165852,2.405454588,1.904974735,1.353636545,0.270913902,0.270913902,1.857979606,1.483184305,1.265433854,1.134540686,0.730206018,0.090638653,0.270913902,0.270913902,3.706792717,3.18009016,2.888430946,2.704236987,2.244261259,1.684653676,0.943918427,0.943918427,1.723905579,1.217734755,0.936500977,0.76031856,0.307880842,0.257467103,0.943918427,0.943918427,3.638857553,3.020848793,2.681077864,2.457539916,1.964078528,1.41387815,0.399277246,0.399277246,1.82755594,1.427070779,1.197301609,1.058262671,0.644503889,0.02519969,0.399277246,0.399277246,3.749102655,3.271471588,3.00448923,2.838982085,2.397005259,1.821273886,1.207644823,1.207644823,1.685533152,1.131973078,0.826455575,0.631337262,0.161491403,0.392689881,1.207644823,1.207644823,3.620302538,3.063730944,2.777878518,2.571572866,2.020231566,1.443960866,0.545454545,0.545454545,1.830005432,1.362766176,1.086501209,0.935209229,0.565691956,0.009769432,0.545454545,0.545454545,0,0,0,0,2,4,1,0,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.426776695,0,0.176776695,0,1.276142375,0.707106781,0.23570226,0.957106781,0.530330086,0.176776695,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,5.707106781,2.810660172,2.133883476,1.383883476,0.353553391,0,0,0,0.815300969,0.468443362,0.304840497,0.230647246,0.176776695,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,4,0,0,0,0,0,0,0,0,0,0,4,0,1,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.974537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.533680556,1.161111111,0,0,0,0,0,0,0,0,0,0,8.662037037,0,1.196759259,0,0,0,0,0,0,2.974537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.460648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.243402778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.15162037,0,1.196759259,0,0,0,0,0,0,1.460648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.513888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290277778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.18287037,0,1.196759259,0,0,0,0,0,0,1.513888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.83333333,1.833333333,0.290277778,2.18287037,0.041666667,1.196759259,3.899428241,0.303240741,0.18287037,1.324074074,0.303240741,0.18287037,1.324074074,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0.28571,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.59155,0.94165,7.55695,0.9654,0.13791,2.56498,0.36643,3.18073,0.61575,0.08796,0.23327,0.03332,0.23327,0.03332,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.532419498,2.485693612,2.485693612,2.492217783,2.173802199,19.28421252,32.18080947,52.19956586,52.19956586,52.33657345,45.64984618,0.209068641,0.348886328,0.565918483,0.565918483,0.567403843,0.494910087,3.474021589,2.859897924,1.90662381,1.90662381,1.900099639,2.218515224,0.209068641,0.348886328,0.565918483,0.565918483,0.567403843,0.494910087,6.73287657,14.10236054,16.10996786,16.10996786,15.25945184,8.041241554,27.64912502,19.06539253,18.802954,18.802954,15.54628285,11.28266467,7,3.06122449,2.666666667,7,2,5,2.23,1.0519,1.944161297,1.941967087,4.930998067,0,0,1.414213562,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.099,0.064,0.179,0.192,3.161,7,6,2,0,0,0,0,0,0,28,2.079441542,2.48490665,2.48490665,1.609437912,0,0,0,0,0,0,3.713572067,1.428571429,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,5,0.833333333,0,2,4,1,2,1.111111111,0.25,0,0,0,0,0,0,0,0.333333333,0.158730159,0.041666667,0,0,0,0,0,0,0,0.533730159,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,0,126.9918924,3.807354922,3.295836866,3.970291914,4.691347882,5.398162702,6.120297419,6.834108739,7.556427969,8.272059622,8.994296558,68.13282967,2.564949357,0,3.713572067,0,5.056245805,0,6.463029457,0,7.890956716,8.168486417,98.10955045,4.671883355,12.50524286,1.786463266,0,0,0,46,6,2.898,26,1.213848913,2.09186114,3.049804568,3.780807083,4.442719311,4.382722534,0,0,0,0,73.91066692,83.64409655,107.8046993,55.52307876,15.26733998,4.453126589,0,0,0,0,277.625505,339.5346801,490.6759856,397.7827918,219.2016203,136.2314272,0,0,0,0,8.829207949,14.84432065,21.77762252,26.57128163,30.23526131,29.44516357,0,0,0,0,2.102337097,2.732530977,4.067186508,3.795719829,2.623849797,1.948614997,0,0,0,0,174.0709866,327.5165484,465.6103549,607.1094342,790.7104221,810.4427604,0,0,0,0,2.843601712,3.858005004,6.047185759,6.534906991,5.412264848,4.382722534,0,0,0,0,0.435823604,0.574031844,0.857333456,0.818633665,0.588343923,0.448790787,0,0,0,0,314.7303807,119.0430132,8.450175196,62.80295696,-23.75446951,-3.512103642,251.9274238,142.7974827,11.96227884,0.833649242,0.315317884,0.022382593,0.166350758,-0.06292019,-0.009302764,118.8212111,44.94270609,3.190222846,23.71020996,-8.96810416,-1.32593621,0.08124934,0.202860389,1.892664126,0.880396622,377.5333377,0,1,0,389.5022539,19.73581146,7.303034042,529.8836948,23.01920274,8.092080329,640.7077204,25.31220497,8.620914126,1.063213438,1.021936521,379.5155504,232.0053667,163.5541217,1.63580505,2.32042792,1.418523509,3.947563325,3.548039917,6.178942665,0.74150878,5.795435508,4.928021254,3.525364891,13.75409647,9.407634401,4.845330622,8.779942509,11.6848651,8.276647587,1.476618155,0.148983261,7.26E-05,8.03E-30,1.98E-76,1.05E-144,1.13E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.486373436,4.903414853,0.143371644,5.046678875,2.246952985,0.281270079,2.972462247,0.86642275,0.126848969,0.012290894,0.001055315,5.12E-07,5.65E-32,1.40E-78,7.36E-147,7.93E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.57006619,4.905059227,0.563299701,5.887124997,3.184214934,0.979836253,4.144726703,2.459304125,0.783591682,0.11323364,0.010949979,5.33E-06,5.89E-31,1.45E-77,7.67E-146,8.26E-236,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.470418532,4.925319732,3.222659988,12.88958212,8.783752295,4.483474654,8.419755007,10.80486203,7.421548522,1.316942225,0.132745544,6.47E-05,7.15E-30,1.77E-76,9.31E-145,1.00E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.313987292,4.907191131,0.931857138,6.742256877,3.983316875,1.528579149,4.953358782,3.735490277,1.533366191,0.241305399,0.023770019,1.16E-05,1.28E-30,3.16E-77,1.67E-145,1.79E-235,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.998827077,4.939380765,4.754761571,17.33134336,11.92822206,6.278733288,10.1188432,15.19030894,11.84710364,2.147341044,0.217258469,1.06E-04,1.17E-29,2.89E-76,1.52E-144,1.64E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.334562297,4.522733367,1.387935089,7.908380838,5.186919604,2.243483683,6.062255371,5.663878953,2.727779173,0.446642274,0.044348871,2.16E-05,2.39E-30,5.90E-77,3.11E-145,3.35E-235,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.22715408,2.44931526,0.37903258,0.532929247,0.404477662,0.519085942,0.518850976,0.476039348,6.055501919,10.05588455,19.10738041,0.406110364,1.513976266,2.282946639,1.587072225,0.081713447,0.577707815,0.401614305,0.262248817,0.215687415,0.022124672,3.951732312,3.939433785,8.187230358,0.46898318,0.500060904,2.655955203,1.931527155,0.199798956,0.554794053,0.403470577,0.352515662,0.320523969,0.132274521,4.787281314,6.046623782,11.85888365,0.437396945,0.805314152,3.203589272,2.428157443,0.371671796,0.53362751,0.404462464,0.511511259,0.509772097,0.457729582,6.003418511,9.871980549,18.76656674,0.407134961,1.479012938,2.823109598,2.084175769,0.252434528,0.547143964,0.40393196,0.397633243,0.373854389,0.211148151,5.159719895,7.122624881,13.76763334,0.426613886,0.982635783,3.30098354,2.515500394,0.402077229,0.530827542,0.404514859,0.543218085,0.547792908,0.535684063,6.218561164,10.64230114,20.199561,0.403013603,1.626695056,3.206656726,2.431321707,0.371571308,0.533593508,0.404576351,0.512516862,0.511280209,0.457482107,6.009549741,9.891325128,18.79779866,0.407254788,1.481279178 +UMLMON0226,L,"2,3-Dimethyl-2-Pentene",CCC(=C(C)C)C,25403,,"Sandia, UML",[1],C7H14,PubChem,,80,0,2.1434,4.59416356,44.9911,28.268688,0,0,26,10,16,0,10,0,0,0,0,0,0,0,0,0,1458.898234,1780.618739,2477.815719,2187.265091,1351.14135,581.387522,154.429632,18.289152,0,4732.508928,6494.471781,9563.090124,10498.36633,7936.45476,4437.685036,1656.593096,559.5073998,0,182.900584,196.827788,364.951644,478.738892,557.178648,419.852936,145.87776,120.932352,0,35.00280648,48.49460896,74.5628497,88.35386152,74.38521695,45.85752089,17.36404786,8.003032287,0,4226.625993,3844.69868,7764.073206,10192.16632,13268.25353,10496.03299,3501.729441,3328.517736,0,44.39583333,54.94444444,87.30555556,116.0555556,117.5833333,81.75,33,18,0,56.11147054,65.94884219,48.58462194,32.64574763,16.88926687,9.530942984,7.353792,1.016064,0,182.0195742,240.5359919,187.5115711,156.6920348,99.2056845,72.74893501,78.88538554,31.08374443,0,7.034637846,7.289918074,7.155914588,7.145356597,6.9647331,6.882835016,6.94656,6.718464,0,1.346261788,1.796096628,1.462016661,1.318714351,0.929815212,0.751762638,0.826859422,0.444612905,0,162.5625382,142.3962474,152.2367295,152.1218854,165.8531691,172.0661146,166.749021,184.917652,0,1.707532051,2.034979424,1.711873638,1.732172471,1.469791667,1.340163934,1.571428571,1,0,0.04077681,-2.71E-04,1.06E-04,-0.037536842,0.010401006,6.00E-04,-0.005300922,0.011613301,0,745.0215938,45.8474827,168.3462255,-774.3926374,-122.4987428,170.4953263,-182.6735639,322.3651127,0,1385.399467,85.25535183,313.046995,-1440.016177,-227.7916432,317.0433396,-339.6892925,599.4516926,0,0.145944615,0.008981207,0.03297787,-0.151698201,-0.023996663,0.033398864,-0.035784497,0.063149112,0,6.193380214,0.38113109,1.399465722,-6.437542319,-1.018334631,1.417331241,-1.518569187,2.679827977,0,33.64253962,2.070310131,7.601920011,-34.96883205,-5.53160988,7.698965798,-8.248891926,14.55686811,0,3.562232906,-1.23690212,1.35255383,-3.043115138,0.521120973,1.1632869,-1.692091963,1.154031065,0,0.001568339,-1.00E-05,2.07E-06,-5.60E-04,1.30E-04,9.84E-06,-2.52E-04,6.45E-04,0,28.65467669,1.698054915,3.300906383,-11.55809907,-1.531234285,2.795005349,-8.698741137,17.90917293,0,53.2845949,3.157605624,6.138176373,-21.49277876,-2.84739554,5.197431797,-16.17568059,33.30287181,0,0.005613254,3.33E-04,6.47E-04,-0.002264152,-3.00E-04,5.48E-04,-0.001704024,0.003508284,0,0.238206931,0.014115966,0.027440504,-0.096082721,-0.012729183,0.023234938,-0.072312818,0.148879332,0,1.293943832,0.076678153,0.149057255,-0.521922866,-0.069145124,0.126212554,-0.392804377,0.808714895,0,0.137008958,-0.04581119,0.026520663,-0.045419629,0.006514012,0.019070277,-0.080575808,0.064112837,0,-0.006397331,0.001323047,-0.357225976,0.082898266,0.006272947,-0.160950464,0.411380089,0,0.059259259,0.115196078,-0.403358209,-0.0534375,0.097540984,-0.303571429,0.625,0,0.059259259,0.115196078,-0.403358209,-0.0534375,0.097540984,-0.303571429,0.625,0,0.059259259,0.115196078,-0.403358209,-0.0534375,0.097540984,-0.303571429,0.625,0,0.059259259,0.115196078,-0.403358209,-0.0534375,0.097540984,-0.303571429,0.625,0,0.059259259,0.115196078,-0.403358209,-0.0534375,0.097540984,-0.303571429,0.625,0,-0.334366383,0.193568827,-0.331508462,0.047544425,0.139190001,-0.588106128,0.467946315,0,1.210723956,1.057168222,1.447323211,0.758241556,0.925049744,1.154861279,0.004709614,0,1.203703704,0.995710784,1.485541045,0.939453125,0.699282787,1.160714286,0,0,1.203703704,0.995710784,1.485541045,0.939453125,0.699282787,1.160714286,0,0,1.203703704,0.995710784,1.485541045,0.939453125,0.699282787,1.160714286,0,0,1.203703704,0.995710784,1.485541045,0.939453125,0.699282787,1.160714286,0,0,1.203703704,0.995710784,1.485541045,0.939453125,0.699282787,1.160714286,0,0,1.678705023,0.662244353,1.411906502,0.830349779,0.701087939,2.005162866,0,0,42.72860207,21.36430104,31.80969137,42.72860207,4.272860207,21.36430104,0,0.016973835,0.001697384,-4.076082228,52.76964938,5.276964938,3.965936203,42.72860207,21.36430104,31.80969137,42.72860207,4.272860207,21.36430104,0,0.016973835,0.001697384,-4.076082228,52.76964938,5.276964938,3.965936203,42.72860207,21.36430104,31.80969137,42.72860207,4.272860207,21.36430104,0,0.016973835,0.001697384,-4.076082228,52.76964938,5.276964938,3.965936203,42.72860207,21.36430104,31.80969137,42.72860207,4.272860207,21.36430104,0,0.016973835,0.001697384,-4.076082228,52.76964938,5.276964938,3.965936203,42.72860207,21.36430104,31.80969137,42.72860207,4.272860207,21.36430104,0,0.016973835,0.001697384,-4.076082228,52.76964938,5.276964938,3.965936203,42.72860207,21.36430104,31.80969137,42.72860207,4.272860207,21.36430104,0,0.016973835,0.001697384,-4.076082228,52.76964938,5.276964938,3.965936203,52.9383338,26.30069468,40.43927058,52.66877824,5.266877824,26.30069468,-0.336944444,0.163164956,0.016316496,-1.81299359,59.47149601,5.947149601,4.085497139,0,11.89,12.11015511,-0.154789269,0.067559481,6.28711485,9.265432956,11,27,26,26,10,1,1,0,0,1,17.491312,3.922296377,3.330332814,2.688995522,2.541415998,2.333552793,2.144552775,1.400151681,0.910400562,1.89408773,1.720523985,1.387842965,1.249629723,1.225664032,0.882490679,0.515232099,0.455500206,3.935957104,3.350637366,2.732871706,2.590532161,2.405454588,2.209083022,1.489536766,1.026851517,1.849622581,1.656701689,1.298282902,1.134540686,1.131898355,0.785240523,0.372694842,0.317525093,3.997440694,3.446704913,2.931340439,2.802606937,2.704236987,2.477654826,1.865093587,1.504817668,1.726460131,1.476917152,1.034995013,0.849665897,0.76031856,0.475951085,0.085407887,0.142452261,3.946088556,3.365955511,2.765569456,2.626576334,2.457539916,2.255879768,1.554695013,1.111289967,1.822005394,1.616680611,1.240935555,1.071444423,1.058262671,0.721643088,0.277976987,0.225718455,4.028407064,3.497547585,3.029477921,2.902541425,2.838982085,2.598590305,2.034168588,1.71228436,1.690257908,1.423912017,0.955874856,0.760954898,0.631337262,0.369215605,0.235535251,0.309429581,3.884130275,3.441592381,2.850836661,2.675059736,2.662620106,2.371965038,1.65549971,1.203160394,1.794755936,1.583820649,1.145518589,1.001177692,0.85357488,0.616742537,0.173304036,0.10778122,0,0,0,1,1,3,2,2,1,0.166666667,0.569035594,0.554737854,0.808761993,0.993132813,0.166666667,0.569035594,0.554737854,0.685459219,0.759706671,1.435060998,0.166666667,0.23570226,0.166666667,1.350510008,0.166666667,0.23570226,0.166666667,2.373222859,2.632695319,3.108050651,2.240212976,2.29934445,2.439965994,7.353371151,4.621027034,4.952577595,3.748007436,2.611360431,2.109238808,1.317508329,0.436431954,0.735337115,0.420093367,0.2751432,0.170363974,0.108806685,0.072732373,0.050673397,0.036369329,7.14626437,4.277656999,4.524656571,3.38336965,2.186421425,1.61978213,0.960891135,0.308603994,0.714626437,0.388877909,0.251369809,0.15378953,0.091100893,0.055854556,0.036957351,0.025716999,14.33462243,25.10269483,23.80392157,24.08,16.38843593,197.7114299,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,2.92489,43.482,49.1922031,65.31206142,98.3844062,9.83844062,49.1922031,0.048701325,0.004870132,-3.022049048,51.72554683,5.172554683,3.945951795,84,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,6,3,0,1,0,0,0,0,0,0,0,0,3,0,2,0,1,0,2,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.043935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252916667,0,0,1.507361111,0.870833333,0,0.252916667,0,0,0,0,0,0,0,0,7.091435185,0,2.72337963,0,2.42650463,0,2.049722222,0,0,1.617430556,0,0,0.674861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.617430556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252916667,0,0,0.22,0.290277778,0,0.252916667,0,0,0,0,0,0,0,0,2.268472222,0,1.350694444,0,2.42650463,0,1.024259259,0,0,1.617430556,0,0,0.674861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.42650463,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252916667,0,0,0.290277778,0.290277778,0,0.252916667,0,0,0,0,0,0,0,0,2.411481481,0,1.372685185,0,2.42650463,0,1.025462963,0,0,1.617430556,0,0,0.674861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.58333333,1.658333333,0.290277778,2.42650463,0.018194444,0.674861111,5.864005486,0.575138889,0.42650463,3.03587963,0.575138889,0.42650463,3.03587963,5,0.5,0,0,0.45385,0.7,0.44286,0.44286,0.7,0.01099,0.01099,0,0,0.71429,0,0,0.3,0.3,0.1,6.5,0.65,5.5,0.55,1,0.1,-4.5,-0.45,0,0,10.71688,1.07169,11.87998,1.16311,0.11631,4.06777,0.40678,4.62101,0.55324,0.05532,0.29299,0.0293,0.46499,0.0465,0.269230769,31,0,0,0,0,0,0,0.8,0.961236605,2.215695144,3.382568083,3.613337314,3.613337314,3.613337314,24.99215172,57.60807374,87.94677017,93.94677017,93.94677017,93.94677017,0.204499294,0.471380398,0.719628011,0.768723254,0.768723254,0.768723254,3.739203113,2.484744574,1.317871635,1.087102404,1.087102404,1.087102404,0.199951246,0.460896934,0.703623539,0.751626908,0.751626908,0.751626908,6.796774065,19.56870642,21.5902621,22.66838903,21.82283711,21.82283711,38.70844392,21.63427712,19.75933251,17.98976349,19.02839415,19.02839415,6.694214876,1.777777778,0.846880907,0,2,0,2.56,1.2574,0.814325285,3.079558666,3.687663322,1.889881575,1.650963624,5.853800636,1.310370697,1.650963624,2.080083823,0,0,0,0,0,0,0,0,0,0,0.003,0.162,0.163,0.346,0.549,4.525,18,22,24,29,26,12,0,0,0,152,2.564949357,3.091042453,3.295836866,3.465735903,3.850147602,3.871201011,3.17805383,0,0,0,5.379897354,1.421052632,0.4,2,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,3,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.272727273,0,3,5,0.666666667,3.5,3.111111111,0.784722222,0.646111111,0,0,0,0,0,0,0.318181818,0.207407407,0.071338384,0.107685185,0,0,0,0,0,0,0.704612795,22.21606521,32.43933995,44.43213043,4.443213043,22.21606521,0.065536682,0.006553668,-2.725145255,55.14522961,5.514522961,4.009970243,0,154.1669289,4.321928095,4.077537444,4.976733742,5.937536205,6.874198495,7.836369761,8.785233624,9.74689222,10.70101727,11.66206073,91.59757949,3.135494216,1.945910149,4.553876892,4.262679877,6.196444128,6.401917197,7.948385285,8.444837529,9.763823105,10.17225435,136.1252005,5.235584635,19.76989887,1.976989887,0,0,0,108,11,4.181,58,1.260098617,2.191655064,3.052380859,3.693088465,4.358018987,5.718018876,6.234402157,0,0,0,94.68085054,119.2604321,104.5930112,69.26929756,48.54539397,43.1710499,6.334551594,0,0,0,330.1525453,445.3639036,492.0886539,387.2657709,343.2028314,459.5301497,193.7885633,0,0,0,9.223066242,15.75281012,21.84034299,25.77354052,30.07958355,39.76093962,41.88560646,0,0,0,2.410043484,3.407822637,4.10849762,3.565034177,3.454584416,4.795664498,2.771895653,0,0,0,177.1265964,328.7761423,462.1960989,608.6880298,743.4574301,950.2577703,1152.851009,0,0,0,2.612539441,3.893974777,5.349274336,5.540189351,6.036602966,9.086614667,6.234402157,0,0,0,0.496242139,0.708722058,0.866681796,0.766615544,0.754280453,1.049043914,0.638402781,0,0,0,381.782309,178.5178145,11.29293094,157.809333,-73.79015889,-8.900435126,223.972976,252.3079734,20.19336607,0.70753933,0.330838732,0.020928662,0.29246067,-0.136751857,-0.016494761,206.006543,96.32672068,6.09357115,85.15259714,-39.816553,-4.802600405,0.122249988,0.181201913,3.377820745,4.627227319,539.5916421,0,1,0,732.1863799,27.0589427,9.013093616,887.3912695,29.78911327,9.609594247,1295.341282,35.99084997,10.90087607,1.526914311,1.278443433,566.7431624,519.6707886,182.3756242,1.090581143,3.107559823,2.849453105,4.173472247,4.488731946,7.599982616,0.69312463,4.554714966,9.663504204,4.47917335,23.86246548,10.70638323,20.0373239,12.40236206,13.95108418,8.742237502,6.506867578,1.887252434,4.028843004,1.998139156,0.368271978,1.12E-07,6.62E-36,7.52E-86,1.65E-157,6.96E-251,0,0,0,0,0,0,0,0,0,0,0,0.381510151,9.128997658,0.312999127,12.91769472,0.866978118,2.992337594,0.380172817,0.800302344,0.898577269,0.335539961,0.142737549,0.170019844,0.073044527,0.00259377,7.91E-10,4.66E-38,5.30E-88,1.16E-159,4.90E-253,0,0,0,0,0,0,0,0,0,0,0,1.231909993,9.164715003,1.051850437,14.56798708,2.248965957,5.720573521,1.528727165,2.785698063,1.973263481,1.221892294,0.383924391,0.659573654,0.298161218,0.02702908,8.25E-09,4.86E-37,5.52E-87,1.21E-158,5.11E-252,0,0,0,0,0,0,0,0,0,0,0,4.298724852,9.604820264,4.184659157,22.98591644,9.882406582,18.72815989,11.20455408,12.89873412,8.075841244,5.996985451,1.739804604,3.687145664,1.820911367,0.328123702,1.00E-07,5.90E-36,6.70E-86,1.47E-157,6.20E-251,0,0,0,0,0,0,0,0,0,0,0,1.816110459,9.211023912,1.592171292,15.87419406,3.383661627,7.816412122,2.704783139,4.356145443,2.867292635,1.941199897,0.583609518,1.084153293,0.502530801,0.058710773,1.79E-08,1.06E-36,1.20E-86,2.63E-158,1.11E-251,0,0,0,0,0,0,0,0,0,0,0,5.503109641,9.910262128,5.614435244,27.34241777,14.00882543,25.18623112,17.3616657,18.12821773,11.42103377,8.544696098,2.479340268,5.413739717,2.721749598,0.537090069,1.64E-07,9.65E-36,1.10E-85,2.40E-157,1.02E-250,0,0,0,0,0,0,0,0,0,0,0,2.970582748,8.012008829,2.375570044,17.47838065,5.293559693,11.60310854,5.103588654,7.211111952,4.90316289,3.35697789,1.105054309,2.134874817,1.005501125,0.133913701,4.09E-08,2.41E-36,2.73E-86,5.99E-158,2.53E-251,0,0,0,0,0,0,0,0,0,0,0,4.48829319,1.416154106,1.029780222,0.647266502,0.204226657,0.461702615,0.416600674,0.418604119,6.934227517,12.43639787,25.91602673,0.470899753,1.296907408,3.323653389,0.845421465,0.502428483,0.711474048,0.180974176,0.253673627,0.148782433,0.09991938,4.671503337,4.904549872,10.98782093,0.567211072,0.50237544,3.754496509,1.056840547,0.69790208,0.681490931,0.191830581,0.323376477,0.232260328,0.192657412,5.509239135,7.325746282,15.60419397,0.522236397,0.748294218,4.456041491,1.400376864,1.015217194,0.648468834,0.20379091,0.455103107,0.407380917,0.406890535,6.871635549,12.18567402,25.39240436,0.472703251,1.26937456,3.959354129,1.157234156,0.790674949,0.670251853,0.195900218,0.359505393,0.27837557,0.247162748,5.907263234,8.627458016,18.15751467,0.505377779,0.885043711,4.590533027,1.466161402,1.07593305,0.643596352,0.205556985,0.482939596,0.44650835,0.456813103,7.132627479,13.24706005,27.6212144,0.465394528,1.386261048,4.480007912,1.401308244,1.018161721,0.649325643,0.20310352,0.460037151,0.408043698,0.409332029,6.899477877,12.266003,25.55736986,0.473988465,1.277412877 +UMLMON0227,L,"4,7,7-trimethylbicyclo[4.1.0]hept-3-ene",CC1=CCC2C(C1)C2(C)C,26049,Co optima database valuese measured by NREL,Sandia,,C10H16,PubChem,,55.8,0,2.2961,5.27207521,46.4272,32.269446,0,0,32,10,22,0,10,0,0,0,0,0,0,0,0,0,1464.994618,1564.733025,2354.803262,2587.805317,1719.51999,881.354379,254.505888,27.433728,0,4919.011395,6335.857676,9534.063539,12471.28092,11792.24029,7323.683729,3184.273894,839.2610996,0,223.211368,224.452548,424.994936,578.034004,877.803864,800.501484,369.98208,181.398528,0,37.67048391,49.59807482,76.88901016,105.287399,114.2364213,79.12051331,36.04986215,12.00454843,0,5336.131905,4509.845254,9454.660266,12378.61092,20852.40749,20507.14227,9413.241332,4992.776605,0,53.625,63.1875,97,150.625,194.25,149.25,72,27,0,45.78108181,50.47525887,39.24672103,31.94821379,13.64698405,7.53294341,4.713072,1.016064,0,153.7191061,204.3825057,158.901059,153.9664311,93.58920865,62.59558742,58.96803508,31.08374443,0,6.97535525,7.240404774,7.083248933,7.136222272,6.966697333,6.841893026,6.85152,6.718464,0,1.177202622,1.599937897,1.281483503,1.299844432,0.906638264,0.676243703,0.66759004,0.444612905,0,166.754122,145.4788792,157.5776711,152.822357,165.4952976,175.2747203,174.3192839,184.917652,0,1.67578125,2.038306452,1.616666667,1.859567901,1.541666667,1.275641026,1.333333333,1,0,0.041966717,-0.012923191,0.021169914,-0.021287334,-0.036873229,0.019626779,-0.005280043,0.014583746,0,832.3288119,-57.22260582,361.3063706,-646.4735715,-734.9085078,384.4791614,-42.56226879,319.2170159,0,1547.750967,-106.407879,671.8646245,-1202.145212,-1366.593752,714.9554185,-79.14635629,593.5976722,0,0.1630475,-0.011209516,0.070777438,-0.126639734,-0.143963531,0.075316828,-0.008337656,0.062532422,0,6.919166958,-0.475692728,3.003547475,-5.374148427,-6.109309917,3.196183373,-0.353821038,2.653657782,0,37.58502473,-2.58397045,16.31531755,-29.19245955,-33.18586843,17.36171881,-1.921961492,14.41471119,0,4.8671875,-3.140869141,3.264648438,-0.913818359,-4.445800781,2.571533203,-1.252441406,1.483154297,0,0.00131146,-4.17E-04,3.53E-04,-2.63E-04,-2.93E-04,1.68E-04,-9.78E-05,5.40E-04,0,26.01027537,-1.84589051,6.021772843,-7.981155204,-5.832607204,3.286146679,-0.788190163,11.82285244,0,48.36721773,-3.432512226,11.19774374,-14.84129891,-10.84598216,6.110730072,-1.465673265,21.98509897,0,0.005095234,-3.62E-04,0.001179624,-0.001563454,-0.001142568,6.44E-04,-1.54E-04,0.002316016,0,0.216223967,-0.015344927,0.050059125,-0.066347511,-0.048486587,0.027317807,-0.006552241,0.098283622,0,1.174532023,-0.083353885,0.271921959,-0.360400735,-0.263379908,0.148390759,-0.035591879,0.533878192,0,0.152099609,-0.101318359,0.054410807,-0.011281708,-0.035284133,0.021978916,-0.023193359,0.054931641,0,-0.317872579,0.269037506,-0.200392398,-0.223144205,0.127911077,-0.074557047,0.411860671,0,-0.070967742,0.231515152,-0.30684624,-0.224242424,0.126340326,-0.03030303,0.454545455,0,-0.070967742,0.231515152,-0.30684624,-0.224242424,0.126340326,-0.03030303,0.454545455,0,-0.070967742,0.231515152,-0.30684624,-0.224242424,0.126340326,-0.03030303,0.454545455,0,-0.070967742,0.231515152,-0.30684624,-0.224242424,0.126340326,-0.03030303,0.454545455,0,-0.070967742,0.231515152,-0.30684624,-0.224242424,0.126340326,-0.03030303,0.454545455,0,-0.666131621,0.357731407,-0.074173157,-0.231980433,0.144503437,-0.152487961,0.361155698,0,1.853292003,0.721568783,1.450112466,1.236570519,0.624667043,0.90551829,1.03E-04,0,1.6,0.976969697,1.614365881,1.180952381,0.578088578,0.751515152,0,0,1.6,0.976969697,1.614365881,1.180952381,0.578088578,0.751515152,0,0,1.6,0.976969697,1.614365881,1.180952381,0.578088578,0.751515152,0,0,1.6,0.976969697,1.614365881,1.180952381,0.578088578,0.751515152,0,0,1.6,0.976969697,1.614365881,1.180952381,0.578088578,0.751515152,0,0,2.272873194,0.451150348,1.388343935,1.298478942,0.556282669,1.06153023,0,0,47.7611465,23.88057325,33.86571463,47.7611465,4.77611465,23.88057325,2.84E-14,0.175721461,0.017572146,-1.738855147,85.13587462,8.513587462,4.444248505,47.7611465,23.88057325,33.86571463,47.7611465,4.77611465,23.88057325,2.84E-14,0.175721461,0.017572146,-1.738855147,85.13587462,8.513587462,4.444248505,47.7611465,23.88057325,33.86571463,47.7611465,4.77611465,23.88057325,2.84E-14,0.175721461,0.017572146,-1.738855147,85.13587462,8.513587462,4.444248505,47.7611465,23.88057325,33.86571463,47.7611465,4.77611465,23.88057325,2.84E-14,0.175721461,0.017572146,-1.738855147,85.13587462,8.513587462,4.444248505,47.7611465,23.88057325,33.86571463,47.7611465,4.77611465,23.88057325,2.84E-14,0.175721461,0.017572146,-1.738855147,85.13587462,8.513587462,4.444248505,47.7611465,23.88057325,33.86571463,47.7611465,4.77611465,23.88057325,2.84E-14,0.175721461,0.017572146,-1.738855147,85.13587462,8.513587462,4.444248505,69.32808838,34.47237752,50.60975522,69.02142172,6.902142172,34.47237752,-0.383333333,0.111265474,0.011126547,-2.195836277,178.0017875,17.80017875,5.181793592,0,11.89,12.11015511,-0.156895477,0.064900215,5.519964112,10.47137978,9,31,31,31,9,0,0,0,0,0,24.050554,3.685071693,3.196666466,2.891796355,2.333552793,2.333552793,2.333552793,2.213145161,1.429638317,1.994564757,1.719985551,1.534928325,1.249629723,1.249629723,1.249629723,1.118952924,0.652214448,3.704150606,3.232469454,2.93708943,2.405454588,2.405454588,2.405454588,2.28286354,1.530272279,1.945750671,1.645262558,1.44607489,1.134540686,1.134540686,1.134540686,1.003759176,0.506874093,3.791083823,3.389740161,3.13433507,2.704236987,2.704236987,2.704236987,2.575785007,1.941945892,1.809042314,1.420985088,1.173087786,0.76031856,0.76031856,0.76031856,0.631234411,0.017565838,3.718367496,3.258858201,2.970400226,2.457539916,2.457539916,2.457539916,2.333575934,1.602916872,1.915268849,1.59724586,1.388423669,1.058262671,1.058262671,1.058262671,0.927542559,0.409265285,3.835249069,3.465814772,3.228395735,2.838982085,2.838982085,2.838982085,2.709206945,2.122631297,1.768581563,1.34998386,1.08479689,0.631337262,0.631337262,0.631337262,0.503902183,0.157210936,3.662363318,3.280384242,3.055352567,2.612600818,2.612600818,2.612600818,2.406744922,1.663270873,1.960696011,1.557664416,1.286237413,0.898315104,0.898315104,0.898315104,0.82543545,0.310394483,0,0,0,0,0,6,2,0,2,0,0,0,0,0,0,0,0,0,0,2.207106781,0.426776695,1.810660172,1.133883476,2.207106781,0.426776695,1.810660172,1.133883476,4.340990258,2.957106781,2.125,4.340990258,2.957106781,2.125,8.414213562,4.310660172,4.883883476,2.905330086,1,0.375,0,0,0.841421356,0.478962241,0.34884882,0.22348693,0.166666667,0.125,0,0,8.414213562,4.310660172,4.883883476,2.905330086,1,0.375,0,0,0.841421356,0.478962241,0.34884882,0.22348693,0.166666667,0.125,0,0,15.96010584,30.76620539,28.98039216,29.36,18.7840994,246.5681114,0.498753308,0.961443918,0.905637255,0.9175,0.587003106,7.705253481,3.8588,48.144,23.88057325,33.86571463,47.7611465,4.77611465,23.88057325,0.175721461,0.017572146,-1.738855147,85.13587462,8.513587462,4.444248505,70,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,6,0,2,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,13.93895833,0,2.625763889,0,0,0,0,0,0,0,0,0,0.935277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.257430556,0,1.295902778,0,0,0,0,0,0,0,0,0,0.447430556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.357638889,0,1.329861111,0,0,0,0,0,0,0,0,0,0.487847222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.5,1.75,0.2,2.357638889,0,0.447430556,7.51639125,0.802569444,0.357638889,3.877916667,0.802569444,0.357638889,3.877916667,5,0.5,0,0,0.425,0.7,0.425,0.425,0.7,0,0,0,0,0.71429,0,0,0.6,0,0.2,4.5,0.45,4.5,0.45,0,0,-4.5,-0.45,0,0,14.19323,1.41932,14.19323,0,0,4.31066,0.43107,4.31066,0,0,0.60334,0.06033,0.60334,0.06033,0,9,0,0,0,0,0,0,1,0.896038233,1.324460293,2.041615922,2.683964564,3.139097656,2.740507421,28.67322344,42.38272939,65.3317095,85.88686606,100.451125,87.69623748,0.179207647,0.264892059,0.408323184,0.536792913,0.627819531,0.548101484,4.103961767,3.675539707,2.958384078,2.316035436,1.860902344,2.259492579,0.180864499,0.2673411,0.412098309,0.541755796,0.633623994,0.55316892,6.667318507,11.80838324,15.24489004,17.55989927,18.01859379,13.23551098,39.63994499,30.47759989,27.14547142,23.09678058,22.7601496,22.71052538,10,2.93877551,2.650887574,10,0,6,2.56,1.5176,4.84060255,4.514485126,0,7.308366373,1,0,2.149139864,0,0,1,0,0,0,0,0,0,0,0,0,0.003,0.187,0.158,-0.031,-0.002,3.94,14,13,6,3,0,0,0,0,0,55,2.302585093,2.708050201,2.63905733,1.945910149,1.386294361,0,0,0,0,0,4.025351691,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,9,1,1,3,5,0.666666667,4.5,2.444444444,0.625,0.24,0,0,0,0,0,0,0.5,0.174603175,0.048076923,0.04,0,0,0,0,0,0,0.762680098,23.88057325,33.86571463,47.7611465,4.77611465,23.88057325,0.175721461,0.017572146,-1.738855147,85.13587462,8.513587462,4.444248505,0,181.516305,4.321928095,3.850147602,4.615120517,5.493061443,6.315358002,7.178545484,8.019283793,8.875846178,9.723104116,10.57681461,83.64728174,2.944438979,0,4.317488114,0,5.888877958,0,7.540621529,0,9.223157876,9.431321587,142.1721507,4.44287971,18.03090165,1.803090165,0,0,0,115,13,5.982,46,1.232032258,2.123799733,2.964030596,3.505057464,4.068560661,5.320690152,6.138480966,0,0,0,73.3510472,95.6481019,101.4896616,55.0120689,38.24406441,27.05873751,6.237089524,0,0,0,277.889902,371.9016166,473.9526789,348.6067838,285.6338871,328.6992288,190.8069735,0,0,0,8.95613516,15.11864085,21.18453703,24.4655715,27.94418367,36.52614544,41.24116338,0,0,0,2.112699944,2.92963371,3.95462057,3.303581441,2.968529868,3.67157633,2.729247854,0,0,0,177.010611,329.2938716,450.7367657,576.693972,704.832471,921.8171816,1135.113487,0,0,0,2.548856855,3.604014064,5.60352265,5.507210241,5.441531004,7.272951349,6.138480966,0,0,0,0.438284758,0.613031029,0.834298335,0.713133125,0.651996214,0.813469812,0.628580451,0,0,0,400.3869516,211.5066052,9.510148097,151.5196027,-80.04106194,-9.167202955,248.8673489,291.5476671,18.67735105,0.725461491,0.383229015,0.017231446,0.274538509,-0.145026475,-0.016610064,220.9761829,116.7318817,5.248713068,83.62466186,-44.1751867,-5.059439396,0.051209152,0.123537081,0.623068232,8.042104418,551.9065544,0,1,0,558.7341223,23.63755745,8.236355148,771.8489161,27.78216903,9.17298675,1126.102899,33.55745668,10.4038167,1.499478194,1.243862349,631.5084065,605.0143385,249.526382,1.04379081,2.530828209,2.424650787,4.493549298,4.466158665,7.63628977,0.709811572,6.135812176,8.536858558,3.885038297,48.09540059,7.509458453,11.20679387,16.66887066,28.44076326,13.32699959,7.283448613,6.160632219,0.747575042,2.359766293,1.267677842,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.514936198,8.536278346,0.205439764,15.80344292,4.016058066,0.229708513,1.220603289,1.512856686,2.246382751,0.174340129,0.14036759,0.012978944,0.133620008,0.008928359,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.662276818,8.536317983,0.742654393,20.89730617,4.281972946,1.209767596,3.561339821,5.298741099,3.415899431,0.850231258,0.700650487,0.062150911,0.473789074,0.093040381,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,5.791706176,8.536795162,3.584115833,45.58870395,7.137403664,10.08882673,15.43567344,26.18707583,12.262242,6.573983578,5.555553958,0.666952824,2.183070706,1.129478135,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.449890184,8.536368589,1.174937788,24.83875612,4.597287013,2.25684509,5.409455134,8.405567,4.543054564,1.544391007,1.283782807,0.125828037,0.741223166,0.202096141,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,7.409881809,8.537124935,5.085125071,57.97812508,9.066624236,15.8524746,21.56124026,37.4722902,17.7080574,10.22166916,8.669517606,1.086561598,3.059875882,1.848788995,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.824921876,6.562090487,1.53526483,30.61768862,5.75080019,4.282942645,8.385133855,13.79632426,6.561229203,2.801399475,2.422208782,0.251885168,1.267467268,0.413935622,1.17E-06,2.61E-33,1.12E-81,9.26E-152,1.48E-243,0,0,0,0,0,0,0,0,0,0,0,4.249048998,1.549222616,1.349596884,0.5944498,0.216739104,0.434330949,0.46905081,0.535626668,7.147868498,14.40805211,30.43994279,0.3916747,1.439008427,3.471563789,0.970621954,0.784270207,0.664229034,0.185713218,0.291472373,0.185419697,0.180877894,5.226455951,6.853449962,14.722564,0.496343552,0.657769964,3.789628986,1.20755265,1.015637549,0.630258265,0.200829696,0.346512249,0.286159011,0.303341308,6.012819185,9.651501833,20.31205773,0.445387397,0.936012569,4.230710149,1.535595745,1.336270976,0.595658481,0.216202622,0.430637082,0.460911306,0.525101344,7.10257687,14.20200771,29.98588345,0.393487721,1.416649732,3.927385555,1.310068047,1.11580241,0.618168943,0.206204196,0.371812715,0.336387072,0.366124379,6.353256012,10.98910568,23.08332389,0.427253415,1.074324166,4.306179675,1.591668229,1.391108365,0.590781384,0.218367098,0.445938804,0.494852238,0.569083485,7.288956268,15.05855493,31.88218097,0.386172077,1.509874526,4.239106796,1.53988343,1.340473904,0.595424981,0.216292041,0.432299857,0.463411214,0.528409705,7.119464129,14.2743159,30.14403216,0.393137472,1.424120776 +UMLMON0228,L,"2,2,3,3-Tetramethylhexane",CCCC(C)(C)C(C)(C)C,26057,,"Sandia, UML","[1], [4]",C10H22,PubChem,,92.4,0,2.0212,4.08524944,38.0151,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1323.6122,1862.405843,1527.491119,647.003282,121.24224,6.096384,0,0,3823.307636,4994.447843,7462.645179,8063.3099,5166.78684,1663.902797,186.5024666,0,0,154.382624,159.970976,299.999756,412.190332,489.033416,218.184192,40.310784,0,0,28.53578067,37.90082034,59.17739096,70.29267716,53.64830697,19.5790642,2.667677429,0,0,3603.201977,3158.070517,6427.692835,8982.966365,12186.23399,5663.00403,1109.505912,0,0,38.3125,46,74.125,103,96.75,40,6,0,0,53.10626655,60.16419091,44.34299626,26.33605378,9.112722282,3.78882,1.016064,0,0,173.7867107,227.0203565,177.6820281,139.0225845,72.77164563,51.99696242,31.08374443,0,0,7.017392,7.271408,7.142851333,7.106729862,6.887794592,6.818256,6.718464,0,0,1.297080939,1.722764561,1.408985499,1.21194271,0.755609957,0.611845756,0.444612905,0,0,163.781908,143.5486599,153.0403056,154.8787304,171.6370984,176.9688759,184.917652,0,0,1.741477273,2.090909091,1.764880952,1.775862069,1.362676056,1.25,1,0,0,0.042557751,-0.003936406,-0.004238782,-0.026878995,0.001263191,0.004487074,0.008025043,0,0,616.3360458,5.47E-13,67.03655044,-689.3758694,58.03164068,160.0872846,96.05237078,0,0,1146.103196,1.85E-13,124.6573281,-1281.923867,107.9123139,297.6891417,178.613485,0,0,0.120736,1.75E-15,0.013132,-0.135044,0.011368,0.03136,0.018816,0,0,5.123614541,1.03E-14,0.557276257,-5.730796134,0.482418252,1.330808972,0.798485383,0,0,27.8315555,-2.31E-14,3.027133472,-31.12977556,2.620503603,7.228975456,4.337385273,0,0,3.309659091,-0.985795455,0.937241736,-2.753873967,0.642691116,0.095041322,0.409865702,0,0,0.001934443,-1.79E-04,-1.01E-04,-4.63E-04,1.78E-05,1.40E-04,0.001337507,0,0,28.01527481,2.49E-14,1.596108344,-11.88579085,0.817347052,5.002727645,16.00872846,0,0,52.0955998,8.40E-15,2.968031621,-22.10213563,1.519891745,9.302785679,29.76891417,0,0,0.005488,7.96E-17,3.13E-04,-0.002328345,1.60E-04,9.80E-04,0.003136,0,0,0.23289157,4.67E-16,0.013268482,-0.09880683,0.006794623,0.04158778,0.133080897,0,0,1.265070705,-1.05E-15,0.072074606,-0.536720268,0.036908501,0.225905483,0.722897546,0,0,0.15043905,-0.044808884,0.022315279,-0.047480586,0.009051988,0.002970041,0.06831095,0,0,-0.092495628,-0.052171796,-0.239568128,0.009197178,0.072486518,0.691417078,0,0,8.88E-16,0.056972789,-0.424261084,0.02917505,0.178571429,0.571428571,0,0,1.61E-16,0.056972789,-0.424261084,0.02917505,0.178571429,0.571428571,0,0,1.45E-14,0.056972789,-0.424261084,0.02917505,0.178571429,0.571428571,0,0,2.00E-15,0.056972789,-0.424261084,0.02917505,0.178571429,0.571428571,0,0,-8.30E-16,0.056972789,-0.424261084,0.02917505,0.178571429,0.571428571,0,0,-0.297854077,0.148334355,-0.315613438,0.060170465,0.019742489,0.454077253,0,0,1.315923818,1.05216294,1.283509663,0.767124357,0.853100092,0.275039961,0,0,1.3125,1.080357143,1.493534483,0.75528169,0.515625,0,0,0,1.3125,1.080357143,1.493534483,0.75528169,0.515625,0,0,0,1.3125,1.080357143,1.493534483,0.75528169,0.515625,0,0,0,1.3125,1.080357143,1.493534483,0.75528169,0.515625,0,0,0,1.3125,1.080357143,1.493534483,0.75528169,0.515625,0,0,0,1.622317597,0.793133047,1.43584431,0.751242217,0.793133047,0,0,0,30.41872277,14.64438648,21.67150193,30.41872277,3.802340346,14.64438843,3.55E-15,0.013877346,0.001734668,-3.421998015,63.76552206,7.970690258,3.32417011,30.41872277,14.64438648,21.67150193,30.41872277,3.802340346,14.64438843,3.55E-15,0.013877346,0.001734668,-3.421998015,63.76552206,7.970690258,3.32417011,30.41872277,14.64438648,21.67150193,30.41872277,3.802340346,14.64438843,3.55E-15,0.013877346,0.001734668,-3.421998015,63.76552206,7.970690258,3.32417011,30.41872277,14.64438648,21.67150193,30.41872277,3.802340346,14.64438843,3.55E-15,0.013877346,0.001734668,-3.421998015,63.76552206,7.970690258,3.32417011,30.41872277,14.64438648,21.67150193,30.41872277,3.802340346,14.64438843,3.55E-15,0.013877346,0.001734668,-3.421998015,63.76552206,7.970690258,3.32417011,30.41872277,14.64438648,21.67150193,30.41872277,3.802340346,14.64438843,3.55E-15,0.013877346,0.001734668,-3.421998015,63.76552206,7.970690258,3.32417011,41.64513019,18.85379684,28.33021856,41.58263019,5.197828774,18.85379689,-0.25,0.062029048,0.007753631,-2.224121986,42.7552473,5.344405912,3.004393545,0,11.9,12.10012615,-0.1626036,0.045727622,6.5103125,9.153129026,8,22,21,21,7,1,1,0,0,1,15.304898,3.701405975,3.074060261,2.694635614,2.333552793,2.095829371,1.402929947,0.781504257,0.43899517,2.003119863,1.547081913,1.30148305,1.249629723,0.963455795,0.608062879,0.262618673,0.083923071,3.720715986,3.102863119,2.73590217,2.405454588,2.161465757,1.501307439,0.910174907,0.55032058,1.956657898,1.473684001,1.215171467,1.134540686,0.851471552,0.464166799,0.096114831,0.270913902,3.807186078,3.236096231,2.918361619,2.704236987,2.439539482,1.905896282,1.425957099,0.964951906,1.824784215,1.263832741,0.954716716,0.76031856,0.492550127,0.019521787,0.481883876,0.943918427,3.73502032,3.124457242,2.766404588,2.457539916,2.209351642,1.572477963,1.002696298,0.627964355,1.927512589,1.427328533,1.159558004,1.058262671,0.777644064,0.367568651,0.016902905,0.399277246,3.850330056,3.304320508,3.006878834,2.838982085,2.567277066,2.084195336,1.644806605,1.207644823,1.785018404,1.201397464,0.872125853,0.631337262,0.370985056,0.191798181,0.696157134,1.129631993,3.731279057,3.213847491,2.759802377,2.629038207,2.280670796,1.650508667,1.170235325,0.636603696,1.939630493,1.330233001,1.119144689,0.883583662,0.675762591,0.245524954,0.194621046,0.581818182,0,0,0,2,0,2,3,0,1,0,0,0,0.088388348,0.176776695,0,0,0,0.058925565,0.11785113,1.207106781,0.25,0,0,1.207106781,0.25,0,0,1.207106781,1.457106781,1.207106781,1.09635267,1.158217917,0.823466593,6.035533906,3.707106781,3.724873734,2.207106781,1.508883476,1.030330086,0.353553391,0,0.754441738,0.463388348,0.338624885,0.220710678,0.150888348,0.103033009,0.088388348,0,5.776020882,3.356936695,3.378417363,1.824884584,1.09635267,0.686886724,0.23570226,0,0.72200261,0.419617087,0.307128851,0.182488458,0.109635267,0.068688672,0.058925565,0,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.67889,36.502,29.99704517,41.45422905,59.99409034,7.499261292,29.99704517,0.157950336,0.019743792,-1.476379698,43.07086986,5.383858732,3.010277516,52,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,2,0,3,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.578125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.581388889,0,0,1.275208333,0.580555556,0,0.581388889,0,0,0,0,0,0,0,0,4.659722222,0,3.920138889,0,4.578125,0,0,0,0,0,0,0,0.592013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.282986111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.285069444,0,0,0.225625,0.290277778,0,0.285069444,0,0,0,0,0,0,0,0,2.329861111,0,1.270833333,0,2.282986111,0,0,0,0,0,0,0,0.592013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.295138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.296319444,0,0,0.290277778,0.290277778,0,0.296319444,0,0,0,0,0,0,0,0,2.329861111,0,1.364583333,0,2.295138889,0,0,0,0,0,0,0,0.592013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.75,1.71875,0.296319444,2.329861111,0.043402778,0.592013889,5.329425347,0.657986111,0.329861111,2.475694444,0.657986111,0.329861111,2.475694444,4,0.5,0,0,0.44545,0.7,0.43333,0.43333,0.7,0.01212,0.01212,0,0,0.71429,0,0,0.25,0,0.125,5,0.625,4,0.5,1,0.125,-3,-0.375,0,0,7.58312,0.94789,8.72242,1.1393,0.14241,3.16421,0.39553,3.70711,0.54289,0.06786,0.20689,0.02586,0.29289,0.03661,0.272727273,8,0,0,0,0,0,0,0.75,0.945660305,2.140361164,3.027169118,3.299896391,3.299896391,3.299896391,20.8045267,47.0879456,66.59772061,72.59772061,72.59772061,72.59772061,0.212058483,0.479962773,0.67882398,0.739981386,0.739981386,0.739981386,3.513771314,2.319070455,1.4322625,1.159535227,1.159535227,1.159535227,0.209052139,0.473158362,0.669200322,0.729490703,0.729490703,0.729490703,6.786633838,16.98428097,18.87731686,20.15146687,19.15217823,19.15217823,31.28312609,20.10697888,18.52665107,16.65444051,17.77236397,17.77236397,6.125,2.082644628,1.8,0,2,0,2.34,1.0842,0.5,3.701071725,0,2,6.083643419,0,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.144,0.135,0.298,0.363,3.65,11,10,10,10,4,0,0,0,0,61,2.302585093,2.63905733,2.63905733,2.833213344,2.995732274,2.197224577,0,0,0,0,4.465908119,1.409836066,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,2.5,0.888888889,0.375,0.222222222,0,0,0,0,0,0,0.3125,0.080808081,0.053571429,0.111111111,0,0,0,0,0,0,0.55799062,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,0,131.9314183,4,3.663561646,4.394449155,5.241747015,5.993961427,6.842683282,7.601402335,8.449556543,9.210440367,10.05813811,77.45593988,2.833213344,0,4.110873864,0,5.59471138,0,7.158513997,0,8.750999691,8.981304495,110.1095504,5.004979566,15.45878878,1.932348597,0,0,0,59,7,4.012,38,1.276771826,2.239765072,3.107593439,3.718190168,4.437721623,5.322540479,0,0,0,0,90.7333143,113.7066162,86.6472419,35.81610905,16.98984713,5.408041769,0,0,0,0,322.3706443,436.7156165,447.2622505,280.3095503,232.076401,165.444488,0,0,0,0,9.328462506,16.07666839,22.12545347,25.64915564,30.26386063,35.7592966,0,0,0,0,2.376007862,3.385151491,3.863825434,2.881716655,2.725823364,2.366470183,0,0,0,0,180.50628,337.2787613,478.2887137,635.1227197,784.8337206,984.2316882,0,0,0,0,2.73407165,4.129274872,5.62369556,5.165705128,5.563031418,5.322540479,0,0,0,0,0.490118016,0.705617653,0.819825944,0.630986166,0.609265322,0.545028145,0,0,0,0,277.1007766,120.1362906,9.032280662,60.97893518,-26.43725206,-4.567420701,216.1218414,146.5735427,13.59970136,0.819631486,0.355349009,0.026716423,0.180368514,-0.07819828,-0.013509893,93.6821507,40.6156425,3.053630843,20.61574083,-8.937898557,-1.544152274,0.131272656,0.202739484,3.856538597,5.527890892,338.0797118,0,1,0,485.3792168,22.03132354,7.8588752,621.4223465,24.92834424,8.533534635,831.6015789,28.83750299,9.403837195,1.556659839,1.554050303,350.4959186,306.9700083,163.5858945,1.141792061,2.142580322,1.876506585,3.85296323,3.995698619,6.281368163,0.572032519,4.068069812,5.159307693,5.050433032,17.10243962,11.49021765,13.68727211,10.93508635,9.05688011,1.062494499,2.630180134,1.414137644,0.008396133,3.73E-23,3.20E-65,5.28E-129,1.68E-214,1.033E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0.341538112,4.167431911,0.43384897,6.419183829,4.166568337,2.371175584,0.458570876,1.498764681,0.060582576,0.057613249,0.00995989,5.91E-05,2.63E-25,2.25E-67,3.72E-131,1.19E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,0,1.102202679,4.233711431,1.213659016,8.062008726,5.257232817,4.196619341,1.711436227,2.637058021,0.214403561,0.293466707,0.10378971,6.16E-04,2.74E-24,2.35E-66,3.88E-130,1.24E-215,7.4E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,3.839934212,5.050408566,4.710310207,16.25814294,10.89885937,12.82313959,9.980420397,8.451086374,0.983225514,2.370358017,1.259971184,0.007480803,3.32E-23,2.85E-65,4.70E-129,1.50E-214,9.2E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,1.624375058,4.319645936,1.797233632,9.349456909,6.125969532,5.593561439,2.834446383,3.538558947,0.335047932,0.541260673,0.225445112,0.001338531,5.95E-24,5.09E-66,8.42E-130,2.68E-215,1.63E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,4.912753255,5.617213735,6.375040393,20.44453363,13.842128,17.08134273,14.82551464,11.4623311,1.376353053,3.708374123,2.062386841,0.012244971,5.44E-23,4.66E-65,7.70E-129,2.45E-214,1.507E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,2.471048682,3.785168866,2.829815155,11.10475888,7.334163931,8.052027058,4.64071623,5.601190962,0.593470729,1.062461003,0.478703137,0.002842195,1.26E-23,1.08E-65,1.79E-129,5.70E-215,3.5E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,2.91104785,1.534470236,1.076380767,0.527182393,0.277888146,0.454044262,0.469054709,0.416335036,5.521898852,9.251986446,19.58198807,0.290773589,1.339434007,2.272608994,0.941929778,0.54596223,0.604336761,0.250479864,0.276619503,0.175599391,0.107742267,3.760501001,3.895654839,8.824863381,0.406505141,0.559961161,2.514859335,1.168056351,0.748321559,0.567529833,0.263595986,0.338560503,0.270855227,0.201972711,4.431237244,5.693502624,12.32293251,0.35129475,0.811388442,2.894051601,1.518838192,1.062374486,0.528568386,0.277399978,0.448721948,0.459500986,0.405634678,5.475264279,9.083737629,19.22877106,0.292852578,1.313857612,2.627497033,1.272660405,0.841935798,0.554079581,0.268375239,0.369583392,0.321927626,0.255399405,4.742093236,6.627593603,14.18504558,0.331119371,0.946910424,2.964680808,1.583747589,1.120541491,0.522966406,0.279371318,0.471058629,0.499805726,0.450973178,5.668969888,9.792008819,20.72226398,0.284449609,1.421837532,2.906781131,1.517918007,1.065046366,0.529492875,0.276500615,0.452577937,0.459193843,0.407754054,5.489745503,9.124765155,19.31376726,0.294239313,1.319525834 +UMLMON0229,L,"4,4-dimethylcyclohexene",CC1(CCC=CC1)C,26445,,UML,[1],C8H14,PubChem,,79.8,0,0.4036,0.16289296,33.9281,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1311.595663,1090.715309,849.680164,646.827051,450.070322,143.338608,15.24096,3885.475125,4800.404174,6060.218294,6004.453783,4921.312267,3728.011456,2721.213111,1572.940224,466.2561665,167.819552,166.665724,297.509884,365.04626,374.068624,270.87294,207.98804,145.478592,100.77696,29.42500648,37.33900896,51.13810539,54.24031728,46.76487335,35.07566706,26.0541382,16.69511646,6.669193573,3973.037281,3337.521256,6596.59581,8403.043401,9117.157939,6528.696872,5049.741717,3533.524545,2773.76478,44.77777778,50.58333333,72.66666667,87.58333333,78.33333333,60.16666667,48.5,35,15,48.76541633,52.3287937,31.22846817,20.9752944,15.73481785,16.585309,15.00234407,6.825648,1.016064,161.8947969,208.713225,144.2909118,115.4702651,91.13541236,95.59003733,90.70710369,74.90191545,31.08374443,6.992481333,7.246335826,7.083568667,7.020120385,6.927196741,6.94546,6.932934667,6.927552,6.718464,1.226041937,1.623435172,1.217573938,1.043083025,0.866016173,0.899376078,0.868471273,0.795005546,0.444612905,165.54322,145.1096198,157.061805,161.5969885,168.8362581,167.4024839,168.3247239,168.2630736,184.917652,1.865740741,2.199275362,1.73015873,1.684294872,1.450617284,1.542735043,1.616666667,1.666666667,1,0.047606822,-0.004326056,-0.012636488,-0.020972032,0.011109566,0.00223103,7.24E-05,-0.012320079,0.013038287,645.6853813,-53.80711511,-121.066009,-269.0355756,80.71067267,-2.17E-13,-2.17E-13,-161.4213453,201.7766817,1200.679538,-100.0566282,-225.1274134,-500.283141,150.0849423,1.42E-13,1.42E-13,-300.1698846,375.2123557,0.126485333,-0.010540444,-0.023716,-0.052702222,0.015810667,-7.38E-16,-7.24E-16,-0.031621333,0.039526667,5.367596186,-0.447299682,-1.006424285,-2.236498411,0.670949523,-2.69E-15,-2.69E-15,-1.341899046,1.677373808,29.15686767,-2.429738973,-5.466912688,-12.14869486,3.644608459,2.73E-14,2.73E-14,-7.289216918,9.111521147,5.592592593,-1.308641975,0.898148148,-2.570987654,0.388888889,-0.101851852,1.009259259,-2.268518519,1.157407407,0.001983618,-1.88E-04,-3.01E-04,-4.03E-04,2.06E-04,5.72E-05,2.41E-06,-5.87E-04,8.69E-04,26.90355756,-2.339439787,-2.882524024,-5.173761068,1.494642086,-5.56E-15,-7.22E-15,-7.68673073,13.45177878,50.0283141,-4.350288182,-5.36017651,-9.620829634,2.779350783,3.64E-15,4.74E-15,-14.29380403,25.01415705,0.005270222,-4.58E-04,-5.65E-04,-0.001013504,2.93E-04,-1.89E-17,-2.41E-17,-0.001505778,0.002635111,0.223649841,-0.019447812,-0.023962483,-0.043009585,0.012424991,-6.90E-17,-8.97E-17,-0.063899955,0.111824921,1.214869486,-0.105640825,-0.130164588,-0.233628747,0.067492749,7.00E-16,9.10E-16,-0.347105568,0.607434743,0.233024691,-0.056897477,0.02138448,-0.04944207,0.007201646,-0.002611586,0.033641975,-0.108024691,0.077160494,-0.094821409,-0.151676793,-0.203319586,0.103715914,0.02883918,0.001215969,-0.295757824,0.438198937,-0.086956522,-0.107142857,-0.192307692,0.055555556,-2.07E-16,-2.69E-16,-0.285714286,0.5,-0.086956522,-0.107142857,-0.192307692,0.055555556,7.28E-17,9.47E-17,-0.285714286,0.5,-0.086956522,-0.107142857,-0.192307692,0.055555556,-3.59E-15,-4.58E-15,-0.285714286,0.5,-0.086956522,-0.107142857,-0.192307692,0.055555556,-3.09E-16,-4.01E-16,-0.285714286,0.5,-0.086956522,-0.107142857,-0.192307692,0.055555556,5.76E-16,7.49E-16,-0.285714286,0.5,-0.244169306,0.091769158,-0.212175242,0.030905077,-0.011207336,0.144370861,-0.463576159,0.331125828,1.42516029,1.204727669,1.140629057,0.753005874,0.862985534,0.989666076,1.329239531,0.092484987,1.5,1.232142857,1.202524038,0.798611111,0.884615385,0.8625,1.129464286,0,1.5,1.232142857,1.202524038,0.798611111,0.884615385,0.8625,1.129464286,0,1.5,1.232142857,1.202524038,0.798611111,0.884615385,0.8625,1.129464286,0,1.5,1.232142857,1.202524038,0.798611111,0.884615385,0.8625,1.129464286,0,1.5,1.232142857,1.202524038,0.798611111,0.884615385,0.8625,1.129464286,0,1.624172185,0.618791391,1.331316862,0.710816777,0.922694855,0.931043046,1.958372753,0,39.11172033,19.55586017,31.45134926,39.11172033,4.888965041,19.55586018,-7.11E-15,0.119590444,0.014948806,-1.698945869,35.74914687,4.468643358,2.861221124,39.11172033,19.55586017,31.45134926,39.11172033,4.888965041,19.55586018,-7.11E-15,0.119590444,0.014948806,-1.698945869,35.74914687,4.468643358,2.861221124,39.11172033,19.55586017,31.45134926,39.11172033,4.888965041,19.55586018,-7.11E-15,0.119590444,0.014948806,-1.698945869,35.74914687,4.468643358,2.861221124,39.11172033,19.55586017,31.45134926,39.11172033,4.888965041,19.55586018,-7.11E-15,0.119590444,0.014948806,-1.698945869,35.74914687,4.468643358,2.861221124,39.11172033,19.55586017,31.45134926,39.11172033,4.888965041,19.55586018,-7.11E-15,0.119590444,0.014948806,-1.698945869,35.74914687,4.468643358,2.861221124,39.11172033,19.55586017,31.45134926,39.11172033,4.888965041,19.55586018,-7.11E-15,0.119590444,0.014948806,-1.698945869,35.74914687,4.468643358,2.861221124,52.80344388,26.18505528,43.14011896,52.47844388,6.559805486,26.18505528,-0.433333333,0.159749533,0.019968692,-1.46731849,40.15791586,5.019739483,2.954255663,0,11.89,12.11011416,-0.173302395,0.049687067,5.13829153,7.665592601,7,23,22,22,6,1,1,0,0,1,17.491312,3.539105243,3.258370555,2.75516202,2.244829288,2.113690229,1.557472295,1.181034084,0.424404601,1.908875758,1.724610087,1.425824394,1.138280193,1.019916385,0.72464196,0.544458046,0.083923071,3.562541743,3.290012753,2.802551637,2.314357344,2.181915347,1.652735799,1.30063981,0.536926659,1.852197606,1.656997447,1.333508773,1.025523799,0.903077781,0.584444905,0.389533465,0.270913902,3.668413336,3.428986552,3.008710997,2.604787935,2.472117559,2.04345003,1.772732791,0.963715902,1.690070444,1.456664232,1.049161401,0.659504785,0.527578272,0.115504894,0.142997915,0.943918427,3.57996308,3.31332112,2.837395018,2.36482508,2.231768889,1.721536562,1.385840592,0.616167369,1.816480241,1.613804056,1.273548747,0.950827409,0.825924162,0.490519126,0.284773249,0.399277246,3.721530429,3.496452411,3.106857167,2.736329812,2.605789904,2.215796659,1.973080179,1.207644823,1.641167714,1.393818373,0.956974617,0.533742098,0.400440609,0.050878183,0.338785877,1.134156552,3.649270241,3.316572821,2.861491394,2.581905657,2.275935088,1.753404805,1.436946794,0.676941018,1.855165481,1.563612028,1.213388294,0.844104109,0.642486147,0.413793524,0.201736417,0.545454545,0,0,1,0,1,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.25,0,0,0,0.288675135,0.204124145,0.144337567,0.176776695,0.125,0.088388348,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,6.035533906,3.414213562,2.414213562,1.207106781,0.676776695,0.338388348,0.213388348,0,0.754441738,0.487744795,0.344887652,0.241421356,0.169194174,0.112796116,0.106694174,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,5,2,0,1,0,0,0,0,0,0,0,0,2,1,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.1449452,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.356772959,0,0,0,1.188296485,0.580555556,0,0.356772959,0,0,0,0,0,0,0,0,4.313573318,3.826935941,5.208148148,0,0,0,0,0,0,1.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.356772959,0,0,0,0.212046485,0.290277778,0,0.356772959,0,0,0,0,0,0,0,0,2.092916667,3.826935941,1.216111111,0,0,0,0,0,0,1.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.826935941,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.356772959,0,0,0,0.290277778,0.290277778,0,0.356772959,0,0,0,0,0,0,0,0,2.220656652,3.826935941,1.354027778,0,0,0,0,0,0,1.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66666667,1.833333333,0.356772959,3.826935941,0.064652778,1.216111111,5.404917405,0.348657407,0.826935941,2.281018519,0.348657407,0.826935941,2.281018519,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.375,0.125,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.0764,0.88455,8.40872,1.33232,0.16654,3.22875,0.40359,3.77005,0.5413,0.06766,0.14395,0.01799,0.14395,0.01799,0,7,0,0,0,0,0,0,0.75,0.918295834,2.082551817,3.375814584,3.573934896,3.371653522,3.378733731,22.03910002,49.98124361,81.01955001,85.77443751,80.91968454,81.08960954,0.200284263,0.45421349,0.73627965,0.77949054,0.735372104,0.736916328,3.666666667,2.502410684,1.209147917,1.011027604,1.213308978,1.20622877,0.200284263,0.45421349,0.73627965,0.77949054,0.735372104,0.736916328,6.73287657,16.72064472,20.20180045,18.22369792,18.01983369,18.10479619,31.59900002,19.42915877,15.6149125,17.71867188,18.35350563,13.89598688,8,5.142857143,7.2,8,2,7,2.34,1.1928,0.721124785,4.146039495,1.754410643,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.104,0.088,0.143,0.175,3.636,7,5,4,3,2,0,0,0,0,36,2.197224577,2.302585093,1.945910149,1.791759469,1.609437912,1.386294361,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,0,144.287877,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,112.1252005,4.671883355,14.66595917,1.833244896,0,0,0,79,5,4.019,28,1.226391304,2.124982577,2.913682593,3.59020099,4.707679399,5.788273043,6.813690802,7.783973498,0,0,74.73814722,75.24462153,70.57482386,70.69443806,92.68523106,99.9600607,49.91676879,7.909015248,0,0,280.6431588,331.8074668,361.725961,372.6521964,498.5821151,568.0757762,536.069863,241.9550429,0,0,8.920641989,15.10881206,20.5047046,24.99277592,32.83473137,40.24967507,47.32488478,52.29634572,0,0,2.124868553,2.740518407,3.188233503,3.401522377,4.551334499,5.306566586,5.622523323,3.460855068,0,0,175.8569114,329.7120941,467.3281188,597.0382083,777.7649404,965.3525927,1136.72008,1439.394103,0,0,2.764554348,3.827420194,5.025094693,5.423909313,7.572205855,9.673019565,11.67702254,7.783973498,0,0,0.4404825,0.577800983,0.680027566,0.731117061,0.977737305,1.144570415,1.231119261,0.797078886,0,0,406.4926369,194.8271203,11.88978728,166.6149554,-79.85658046,-10.87166135,239.8776815,274.6837008,22.76144863,0.709278052,0.339948594,0.02074617,0.290721948,-0.139339596,-0.018969669,232.9640165,111.6569019,6.814127364,95.48829596,-45.76641256,-6.23063166,0.111481197,0.208038405,3.511858013,4.344238128,573.1075924,0,1,0,457.3961477,21.38682182,7.704849633,612.8133496,24.75506715,8.493944243,723.0906222,26.8903444,8.975615566,2.070431731,2.070431731,789.3906172,732.0631161,77.38613036,1.078309506,10.20067309,9.459874951,4.460178277,4.466158665,8.866384695,0.985237283,4.625737202,5.862558327,5.36475223,20.27076062,6.193000528,3.953833738,4.663894636,9.834924744,10.10135279,0.668025582,6.112125077,3.605516397,5.130744551,2.052163217,4.104155385,0.091253426,0.335545995,7.34E-18,3.09E-56,2.52E-116,3.95E-198,1.20E-301,0,0,0,0,0,0,0,0,0.388216777,5.862268046,0.237110247,6.672690133,0.057166125,0.186886709,0.588322829,0.345612278,3.85198445,0.032876877,0.080997035,1.224221614,0.268240324,1.029277365,0.056695188,6.46E-04,0.002363278,5.17E-20,2.18E-58,1.77E-118,2.78E-200,8.42E-304,0,0,0,0,0,0,0,0,1.253185036,5.862288025,0.905849138,7.803277949,0.488791452,0.698619526,1.302915944,1.430399237,4.846228275,0.121408404,0.543759597,1.668980999,0.972887867,1.237625798,0.372617835,0.006705108,0.024627178,5.38E-19,2.27E-57,1.85E-117,2.90E-199,8.77E-303,0,0,0,0,0,0,0,0,4.366319238,5.862526662,4.917145322,18.85632583,5.526986932,3.632241687,4.372887835,8.952521357,9.619226073,0.614596802,5.47109784,3.445119836,4.731218437,1.989385673,3.675863129,0.081307202,0.298965441,6.54E-18,2.76E-56,2.24E-116,3.52E-198,1.06E-301,0,0,0,0,0,0,0,0,1.84695863,5.862313401,1.477130333,9.067845864,1.028809914,1.126270537,1.828295851,2.428102553,5.612294666,0.194390672,1.089561478,1.986561251,1.542087776,1.38078241,0.740992695,0.014557089,0.053493521,1.17E-18,4.93E-57,4.01E-117,6.30E-199,1.91E-302,0,0,0,0,0,0,0,0,5.586245157,5.862691341,7.17384129,26.16855998,8.988656291,5.247847869,5.788485618,13.44436894,11.99947672,0.88236355,8.794175591,4.215987353,6.725649645,2.284778705,5.894883972,0.133074868,0.489362299,1.07E-17,4.51E-56,3.67E-116,5.76E-198,1.74E-301,0,0,0,0,0,0,0,0,2.63514794,4.589803291,2.07057546,10.96531918,1.911995613,1.693012552,2.211604445,3.484312241,7.059796417,0.253339235,1.892996826,3.261822986,2.748035826,1.777017358,1.32861379,0.027161262,0.099831866,2.18E-18,9.21E-57,7.49E-117,1.18E-198,3.56E-302,0,0,0,0,0,0,0,0,7.554660235,1.134511903,0.414643513,0.829834492,0.124619385,0.558467684,0.483971085,0.499982783,9.103815651,12.17376082,24.83142463,0.744751738,1.542421553,6.465788702,0.601925496,0.089390603,0.903408415,0.084101814,0.409448378,0.1386788,0.02323748,7.1571048,4.5237103,12.02871645,0.855112622,0.571364658,6.898007479,0.813697182,0.218570501,0.869832047,0.102606425,0.465814447,0.251675374,0.138927556,7.930275162,7.298440401,16.45552758,0.804748071,0.856417377,7.527679316,1.121350092,0.406591167,0.831271502,0.123829182,0.554493733,0.473019583,0.480752088,9.055620575,11.95778286,24.44550611,0.746907253,1.508265404,7.09077347,0.907984247,0.276151299,0.856900475,0.109727399,0.492135206,0.31239214,0.221768307,8.274909016,8.647177942,18.70003479,0.785350713,1.026295653,7.639137296,1.175711013,0.439853257,0.825433132,0.127039322,0.5710027,0.519027486,0.562627459,9.254701566,12.85865759,26.06386504,0.738149697,1.652657645,7.548807956,1.127650747,0.406481239,0.831097421,0.124150413,0.557668533,0.479769172,0.480492165,9.082939941,12.03923661,24.58231514,0.746646131,1.51792987 +UMLMON0230,L,2-Methyl-1-Heptene,CCCCCC(=C)C,27519,,"Sandia, UML",[1],C8H16,PubChem,,66.3,0,0.7767,0.60326289,39.5502,29.17586,0,0,29,9,20,0,9,0,0,0,0,0,0,0,0,0,1318.698369,1396.254728,1918.962707,2015.824282,1613.513839,557.268768,64.012032,0,0,4433.327004,5682.867541,8170.2616,10010.39328,9672.354909,6310.95762,1958.275899,0,0,202.233924,202.676768,382.217996,510.311656,689.244028,621.426816,423.263232,0,0,33.9923581,44.5820862,67.18847144,86.22584474,91.19753188,68.11028045,28.01061301,0,0,4839.502245,4076.805803,8519.524242,11270.26319,16437.40968,15307.1943,11649.81208,0,0,47.84027778,56.5,86.16666667,122,149.5,132,63,0,0,45.47235755,49.86624029,35.53634643,27.99755947,16.29811959,6.1918752,1.016064,0,0,152.873345,202.9595551,151.3011407,139.03324,97.70055464,70.12175134,31.08374443,0,0,6.973583586,7.238456,7.078111037,7.087661889,6.962060889,6.9047424,6.718464,0,0,1.172150279,1.592217364,1.244230953,1.197581177,0.921187191,0.756780894,0.444612905,0,0,166.8793878,145.6002072,157.7689674,156.5314332,166.0344412,170.0799367,184.917652,0,0,1.649664751,2.017857143,1.595679012,1.694444444,1.51010101,1.466666667,1,0,0,0.039168727,-0.010089061,0.008343935,-0.016028041,-0.00430371,-0.031430565,0.033923078,0,0,751.4441938,-57.58193056,157.9184446,-429.561202,-252.4967655,-528.6021225,734.6014791,0,0,1397.342566,-107.0760587,293.656091,-798.787398,-469.5285174,-982.958219,1366.022819,0,0,0.147202759,-0.011279905,0.030935139,-0.08414809,-0.049462383,-0.103549527,0.143903386,0,0,6.246771423,-0.478679803,1.312779358,-3.570951327,-2.099010934,-4.394280587,6.106757581,0,0,33.93256151,-2.600196285,7.131038311,-19.39746428,-11.40186071,-23.86980189,33.1720041,0,0,4.179118774,-2.368344563,1.820204122,-2.118559255,2.226887634,-4.896403092,3.246655767,0,0,0.001350646,-3.60E-04,1.55E-04,-2.23E-04,-4.35E-05,-3.49E-04,5.38E-04,0,0,25.91186875,-2.05649752,2.92441564,-5.966127805,-2.550472379,-5.873356917,11.66034094,0,0,48.18422642,-3.824144954,5.43807576,-11.09426942,-4.742712297,-10.92175799,21.68290189,0,0,0.005075957,-4.03E-04,5.73E-04,-0.001168723,-5.00E-04,-0.00115055,0.002284181,0,0,0.215405911,-0.017095707,0.024310729,-0.049596546,-0.021202131,-0.04882534,0.09693266,0,0,1.170088328,-0.092864153,0.132056265,-0.269409226,-0.11517031,-0.265220021,0.526539748,0,0,0.144107544,-0.084583734,0.033707484,-0.029424434,0.022493814,-0.054404479,0.051534219,0,0,-0.266778766,0.11440255,-0.1648187,-0.032185949,-0.258564095,0.39866971,0,0,-0.079365079,0.112860082,-0.230246914,-0.098428732,-0.226666667,0.45,0,0,-0.079365079,0.112860082,-0.230246914,-0.098428732,-0.226666667,0.45,0,0,-0.079365079,0.112860082,-0.230246914,-0.098428732,-0.226666667,0.45,0,0,-0.079365079,0.112860082,-0.230246914,-0.098428732,-0.226666667,0.45,0,0,-0.079365079,0.112860082,-0.230246914,-0.098428732,-0.226666667,0.45,0,0,-0.586948692,0.23390506,-0.204183857,0.156090472,-0.377526931,0.357609443,0,0,1.802121842,0.902990494,1.312377174,1.020195077,1.236484023,8.05E-05,0,0,1.611111111,1.08600823,1.441049383,1.048035915,1.052592593,0,0,0,1.611111111,1.08600823,1.441049383,1.048035915,1.052592593,0,0,0,1.611111111,1.08600823,1.441049383,1.048035915,1.052592593,0,0,0,1.611111111,1.08600823,1.441049383,1.048035915,1.052592593,0,0,0,1.611111111,1.08600823,1.441049383,1.048035915,1.052592593,0,0,0,2.196768279,0.5841801,1.35123959,0.757131248,1.563327985,0,0,0,40.59627183,20.29813592,27.79151114,40.59627183,4.51069687,20.29813592,1.78E-14,0.103265118,0.011473902,-2.043410075,35.06960524,3.896622805,3.201601327,40.59627183,20.29813592,27.79151114,40.59627183,4.51069687,20.29813592,1.78E-14,0.103265118,0.011473902,-2.043410075,35.06960524,3.896622805,3.201601327,40.59627183,20.29813592,27.79151114,40.59627183,4.51069687,20.29813592,1.78E-14,0.103265118,0.011473902,-2.043410075,35.06960524,3.896622805,3.201601327,40.59627183,20.29813592,27.79151114,40.59627183,4.51069687,20.29813592,1.78E-14,0.103265118,0.011473902,-2.043410075,35.06960524,3.896622805,3.201601327,40.59627183,20.29813592,27.79151114,40.59627183,4.51069687,20.29813592,1.78E-14,0.103265118,0.011473902,-2.043410075,35.06960524,3.896622805,3.201601327,40.59627183,20.29813592,27.79151114,40.59627183,4.51069687,20.29813592,1.78E-14,0.103265118,0.011473902,-2.043410075,35.06960524,3.896622805,3.201601327,56.40456966,28.04171384,39.94769911,56.15479257,6.239421397,28.04171384,-0.321141975,0.071192171,0.007910241,-2.37813518,30.00526254,3.333918061,3.061235506,0,11.89,12.11013444,-0.158056721,0.063473871,5.75475,9.532762612,8,28,28,28,8,0,0,0,0,0,21.86414,3.637282007,3.112599877,2.902564078,2.333552793,2.333552793,2.14936441,1.598026915,1.162837791,1.974892075,1.667247237,1.563026335,1.249629723,1.249629723,1.048930994,0.769718516,0.440344289,3.658753114,3.150713835,2.950308951,2.405454588,2.405454588,2.217766728,1.695309721,1.269690916,1.922967344,1.58857667,1.473453684,1.134540686,1.134540686,0.933620224,0.630337185,0.290000277,3.755381836,3.318028628,3.155598408,2.704236987,2.704236987,2.507077934,2.090117344,1.702702127,1.775109076,1.351217995,1.195492746,0.76031856,0.76031856,0.562129754,0.162386152,0.218324093,3.674689108,3.178805544,2.985267979,2.457539916,2.457539916,2.267644441,1.765276817,1.346550641,1.890327588,1.537907807,1.415133181,1.058262671,1.058262671,0.857422689,0.536857124,0.188893887,3.803761995,3.398793114,3.252217518,2.838982085,2.838982085,2.639666545,2.26277616,1.891182114,1.730553434,1.275766962,1.104407163,0.631337262,0.631337262,0.435831157,0.004703131,0.40108138,3.625674717,3.231810811,3.071089893,2.62226806,2.62226806,2.342386396,1.84591069,1.397142196,1.930054162,1.46504806,1.316419123,0.889647739,0.889647739,0.752180121,0.424110872,0.097001338,0,0,0,0,0,5,2,1,1,0,0,0,0,0,0,0,0,0,0,1.510362971,0.288675135,0.433012702,0.144337567,1.510362971,0.288675135,0.433012702,0.144337567,1.946432708,2.643356133,1.274273694,1.946432708,2.643356133,1.274273694,7.491563832,4.019385278,3.87944541,2.210343431,1.513420006,0,0,0,0.832395981,0.50242316,0.352676855,0.221034343,0.216202858,0,0,0,7.491563832,4.019385278,3.87944541,2.210343431,1.513420006,0,0,0,0.832395981,0.50242316,0.352676855,0.221034343,0.216202858,0,0,0,14.41827804,27.87836854,26.25490196,26.6,16.98554491,223.5398563,0.497182001,0.961323053,0.905341447,0.917241379,0.585708445,7.708270906,3.4687,43.527,20.29813592,27.79151114,40.59627183,4.51069687,20.29813592,0.103265118,0.011473902,-2.043410075,35.06960524,3.896622805,3.201601327,50,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,5,0,2,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,11.52662037,0,2.638888889,0,0,0,0.900462963,0,0,0,0,0,0.517361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.277199074,0,1.319444444,0,0,0,0.900462963,0,0,0,0,0,0.517361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.324074074,0,1.319444444,0,0,0,0.900462963,0,0,0,0,0,0.517361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.58333333,1.731481481,0.2,2.324074074,0,0.517361111,6.760894676,0.732638889,0.324074074,3.053240741,0.732638889,0.324074074,3.053240741,4.5,0.5,0,0,0.42414,0.7,0.42414,0.42414,0.7,0,0,0,0,0.71429,0,0,0.55556,0.11111,0.11111,4,0.44444,4,0.44444,0,0,-4,-0.44444,0,0,11.53525,1.28169,11.53525,0,0,4.01938,0.4466,4.01938,0,0,0.39462,0.04385,0.39462,0.04385,0,8,0,0,0,0,0,0,1,0.893571102,1.408042982,2.259420773,2.761636598,2.594120012,1.993019185,25.91356195,40.83324649,65.52320242,80.08746134,75.22948034,57.79755636,0.183938781,0.289841188,0.465094609,0.568474146,0.533991387,0.410256686,3.964409893,3.449938013,2.598560222,2.096344397,2.263860983,2.86496181,0.185875833,0.292893494,0.469992503,0.574460726,0.539614831,0.414577084,6.65913786,12.83280043,15.53098835,16.03713403,14.026935,8.655096697,35.68332321,25.714359,23.61389225,23.77133575,22.76623623,18.40080827,9,3.239669421,2.88,9,0,5,2.45,1.3767,3.077861033,4.152436465,2.5,3.221970075,0.5,2,1,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.131,0.009,0.004,3.625,11,10,7,0,0,0,0,0,0,45,2.197224577,2.48490665,2.397895273,2.079441542,0,0,0,0,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.375,8,1,1,2,4,1,3.5,1.555555556,0.875,0,0,0,0,0,0,0,0.4375,0.141414141,0.0875,0,0,0,0,0,0,0,0.666414141,20.29813592,27.79151114,40.59627183,4.51069687,20.29813592,0.103265118,0.011473902,-2.043410075,35.06960524,3.896622805,3.201601327,0,164.2203203,4.169925001,3.663561646,4.394449155,5.241747015,5.993961427,6.842683282,7.601402335,8.449556543,9.210440367,10.05813811,78.45593988,2.833213344,0,4.110873864,0,5.59471138,0,7.158513997,0,8.750999691,8.981430226,128.1565006,4.419189677,16.27137283,1.807930314,0,0,0,88,10,5.376,38,1.230142857,2.120751856,2.931621005,3.501814971,4.074351824,4.213602798,0,0,0,0,72.40063676,86.24858719,89.01527162,59.73835959,24.56568961,4.281290113,0,0,0,0,275.5059647,351.6343945,426.6969368,354.6940861,280.7061996,130.9745525,0,0,0,0,8.939719117,15.07932026,20.81877705,24.42829427,28.10851751,28.30893871,0,0,0,0,2.098837641,2.825465234,3.62529452,3.317604137,3.043453137,1.87342218,0,0,0,0,176.9060838,329.6891532,456.0249226,577.6436631,694.8638235,779.1695359,0,0,0,0,2.526529762,3.530413118,5.062553311,5.401311744,5.916011115,4.213602798,0,0,0,0,0.435567857,0.593200326,0.767731185,0.715034059,0.670625945,0.431472926,0,0,0,0,365.9650445,177.9171145,8.843161777,134.0341525,-65.16187821,-7.832762679,231.930892,243.0789927,16.67592446,0.731931264,0.3558348,0.017686352,0.268068736,-0.130323966,-0.015665551,182.9822284,88.95841438,4.421573788,67.01696864,-32.58088678,-3.91637505,0.062878137,0.133719689,0.806776041,6.312161141,499.999197,0,1,0,496.6525532,22.28570289,7.919253116,690.3932748,26.27533586,8.838234442,987.5692925,31.42561523,9.958391421,1.310755992,1.079729203,466.5593599,361.3117601,240.7600198,1.291293037,1.937860614,1.500713284,4.1049872,3.220218461,6.42424645,0.994972244,5.591774469,8.672253288,5.190366939,30.79499889,9.150064809,10.18585552,15.1161558,25.76572786,5.66929731,7.095921271,1.827267791,1.126710554,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.468220753,7.647404265,0.310343801,13.70240847,1.08786877,2.373435572,0.824974355,1.277706836,1.085724399,0.099661016,0.012870665,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5121709,7.800906276,1.084355572,16.25697201,1.688227292,3.417726185,2.743495399,4.400316534,1.584166711,0.648447924,0.134113862,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.277450375,8.589810949,4.813042031,29.41804349,8.286707753,9.512874718,13.88798344,23.6029513,5.234040601,6.356548385,1.62806344,1.003878819,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.229367089,7.92281656,1.681637957,18.28804207,2.410728051,4.298021389,4.357009049,7.100888925,2.056134369,1.286254997,0.291310601,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.756328814,8.999870094,6.676645417,36.26857016,12.76656205,12.89867916,20.06464413,34.52702646,7.456454608,10.18667931,2.664894859,1.643201453,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.477636071,6.65086604,2.483859314,21.04720902,3.691928383,5.553823993,6.95571104,11.67298445,3.336142623,2.582421898,0.609494512,0.375817207,2.68E-15,3.68E-51,9.75E-109,4.98E-188,4.91E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.065146483,1.846444271,1.025602255,0.51626189,0.310996167,0.497704789,0.515633244,0.45142906,5.937193008,10.69696071,22.43867497,0.274392835,1.464767093,2.290458931,1.351450853,0.528617213,0.54920132,0.324047981,0.277916525,0.27758479,0.119972325,4.170526997,5.020618876,10.82745015,0.32380198,0.67547364,2.608511967,1.554622812,0.732708492,0.532801363,0.317539334,0.360458291,0.366573076,0.230493212,4.895843272,7.105616416,14.97277742,0.299202044,0.957524579,3.046980615,1.834832214,1.013953127,0.516808272,0.311211847,0.491822886,0.509225294,0.441242629,5.895765957,10.54062758,22.10509945,0.275212408,1.442290809,2.745773693,1.642327312,0.820766045,0.527134532,0.315294535,0.399391512,0.408745543,0.289204432,5.20886705,8.111063436,17.02114142,0.290701797,1.097341488,3.121705642,1.882599719,1.061870156,0.514608526,0.31034376,0.516241899,0.535837419,0.483883681,6.066175517,11.19084468,23.49754845,0.271912789,1.535962999,3.056958862,1.836040738,1.016718531,0.517276593,0.310681609,0.495049402,0.509950606,0.443662274,5.909718131,10.58750437,22.20375962,0.27591489,1.448662282 +UMLMON0231,L,"2,2-Dimethyl-3-ethylpentane",CCC(CC)C(C)(C)C,28026,RON from [9],"Sandia, UML","[1], [9]",C9H20,PubChem,,99.5,0,-0.6676,0.44568976,32.065,22.457102,0,0,22,8,14,0,7,0,1,0,0,0,0,0,0,0,1280.041744,1227.247947,1382.165159,1264.141294,1067.384565,562.917938,281.592025,84.835296,9.144576,3616.181511,4450.143542,5558.086517,5314.515117,4307.716772,3194.098172,2068.222976,1061.424631,279.7536999,160.193824,154.923828,281.542892,350.60116,287.71626,225.3026,186.21226,123.32736,60.466176,26.39008467,33.66236034,45.56728387,44.90940762,35.88787876,27.93293149,21.03814958,12.01662072,4.001516144,3661.858907,3057.825133,6158.531007,8009.160087,6530.204932,4987.751257,4616.702266,3137.747111,1664.258868,82.77777778,51.16666667,79.91666667,109.8333333,102.25,79,37,24,9,58.18371564,58.44037843,35.44013228,26.33627696,27.368835,18.76393127,10.42933426,4.713072,1.016064,164.3718869,211.9115972,142.5150389,110.7190649,110.4542762,106.4699391,76.60085098,58.96803508,31.08374443,7.281537455,7.377325143,7.219048513,7.304190833,7.37734,7.510086667,6.89675037,6.85152,6.718464,1.199549303,1.60296954,1.168391894,0.935612659,0.92020202,0.931097716,0.779190725,0.66759004,0.444612905,166.4481321,145.6107206,157.9110515,166.8575018,167.4411521,166.2583752,170.9889728,174.3192839,184.917652,3.762626263,2.436507937,2.049145299,2.288194444,2.621794872,2.633333333,1.37037037,1.333333333,1,0.131260663,-0.045776118,-0.011845346,-0.008021612,0.034946992,-0.041002774,0.002867428,-0.001574,0.004775099,687.3645011,-46.5210804,-72.60977875,-10.92626802,-13.31048475,-437.6237417,41.13191475,38.74769802,157.4294903,1066.90404,-96.33311012,-292.1129994,2.672876398,2.355159956,-427.8117277,17.86783888,17.55012244,242.3598194,1.085692364,-0.003217983,0.098766083,-0.163126612,-0.182120463,-0.558170314,0.099429554,0.080435702,0.085157851,4.734521863,-0.459492824,-1.753681784,-0.025053141,-0.02579097,-0.950592798,-0.052286738,-0.053024566,0.95266189,26.12162368,-2.544279046,-10.26560835,-0.280625194,-0.292495931,-3.687455532,-0.473882754,-0.485753491,4.969288461,34.27272727,-0.533057851,1.084710744,-7.064738292,-1.824380165,-15.22038567,2.983471074,1.32231405,2.115702479,0.005966394,-0.002179815,-3.04E-04,-1.67E-04,8.96E-04,-0.001366759,1.06E-04,-8.74E-05,5.31E-04,31.24384096,-2.215289543,-1.861789199,-0.227630584,-0.341294481,-14.58745806,1.52340425,2.15264989,17.49216559,48.49563818,-4.587290958,-7.490076907,0.055684925,0.060388717,-14.26039092,0.66177181,0.975006802,26.92886883,0.049349653,-1.53E-04,0.002532464,-0.003398471,-0.004669755,-0.018605677,0.003682576,0.00446865,0.009461983,0.215205539,-0.021880611,-0.0449662,-5.22E-04,-6.61E-04,-0.031686427,-0.001936546,-0.002945809,0.105851321,1.187346531,-0.121156145,-0.263220727,-0.005846358,-0.007499896,-0.122915184,-0.017551213,-0.026986305,0.552143162,1.55785124,-0.025383707,0.027813096,-0.147182048,-0.046778979,-0.507346189,0.110498929,0.073461892,0.235078053,-0.365348861,-0.050906265,-0.028009702,0.150187325,-0.229076257,0.017799872,-0.014656164,0.08892584,-0.07090324,-0.059588999,-0.007285615,-0.010923576,-0.466890677,0.048758546,0.068898376,0.559859641,-0.094591826,-0.154448466,0.001148246,0.00124524,-0.294055124,0.013646007,0.020105041,0.555284348,-0.003105134,0.051316747,-0.068865146,-0.094625903,-0.377017386,0.074622127,0.090550792,0.191733536,-0.101673083,-0.208945363,-0.002425311,-0.003072908,-0.147237969,-0.008998587,-0.013688352,0.491861508,-0.102039415,-0.22168821,-0.004923885,-0.006316518,-0.103520902,-0.014781879,-0.022728247,0.465022761,-0.016294051,0.017853499,-0.094477601,-0.030027885,-0.325670498,0.070930347,0.047155909,0.15089891,1.135298338,0.811035186,1.240879826,1.329451894,1.835450709,0.197242424,0.207135578,0,1.244484016,1.05569469,0.989714036,1.028430338,1.549624126,0.684952826,0.616457543,0,1.493214171,1.267214504,0.913415642,0.896962336,1.198199205,0.820594415,0.738534974,0,0.532603912,0.53828678,1.327215976,1.609972143,2.288567999,0.084949376,0.076454438,0,1.567567372,1.344764791,0.909999903,0.891076757,1.049708735,0.826666838,0.744000154,0,1.571413854,1.354213064,0.917184986,0.903457207,1.025536537,0.813893358,0.732504022,0,0.539787798,0.552506291,1.359499337,1.564561654,2.277320955,0.062407899,0.102122016,0,36.84000323,18.54500162,28.6428363,37.02750323,4.628437904,18.54500165,0.25,2.22E-16,2.78E-17,-28.83492271,3000010.71,375001.3387,11.93130113,36.84171659,18.54549108,28.64332576,37.02866577,4.628583221,18.54549111,0.249265579,7.77E-16,9.71E-17,-27.83271234,3000010.71,375001.3387,11.93130113,38.37612104,18.98856328,29.08639796,38.07687518,4.759609397,18.9885633,-0.398994478,8.88E-16,1.11E-16,-27.72588722,3000010.71,375001.3387,11.93130113,36.84351482,18.54600481,28.64383949,37.02988592,4.62873574,18.54600484,0.2484948,2.22E-16,2.78E-17,-28.83492271,3000010.71,375001.3387,11.93130113,40.03480741,19.47625657,29.57409125,39.22308671,4.902885839,19.47625658,-1.082294264,5.55E-16,6.94E-17,-28.10189013,3000010.71,375001.3387,11.93130113,37.01965254,18.59639336,28.69422804,37.14950318,4.643687898,18.59639339,0.173134186,2.22E-16,2.78E-17,-28.83492271,3000010.71,375001.3387,11.93130113,40.39291283,20.23617962,31.66210048,40.71830965,5.089788706,20.23617963,0.650793651,8.88E-16,1.11E-16,-27.72588722,3000010.564,375001.3204,11.93130109,0,11.89,15.99491639,-0.299193378,0.132675696,4.429620118,7.019142124,7,21,20,20,6,1,1,0,0,1,16.262898,3.57200437,3.158726067,2.844183096,2.18392002,1.967707112,1.33214981,1.332136534,0.083923071,1.868454358,1.708882991,1.355178962,1.091617933,0.72416625,0.62252576,0.184433356,0.083923071,3.537100223,3.197240258,2.810627379,2.253323613,1.883596426,1.442861713,1.346145858,0.270913902,1.834481137,1.631733601,1.303842226,0.975709625,0.636384852,0.473240653,0.27522086,0.270913902,3.675055697,3.364701014,3.039324004,2.546003084,2.259356832,1.884943921,1.822128391,0.943918427,1.653398192,1.397661851,1.015213949,0.601565151,0.201416978,0.035334264,0.236582257,0.943918427,3.539915846,3.225530555,2.820845547,2.303876515,1.890416069,1.522049418,1.374099801,0.399277246,1.816233812,1.581957035,1.273337723,0.899064477,0.597225586,0.37260324,0.260408886,0.399277246,3.711542677,3.444790866,3.106015981,2.679762813,2.349642212,2.074844725,1.961296806,1.207644823,1.613424864,1.322620074,0.945089062,0.474040332,0.095091115,0.220196471,0.357427907,1.207644823,4.899343648,3.342825957,3.285915969,2.615260779,2.401877879,1.730809977,1.627016104,0.6,1.712140618,1.509387149,1.03239507,0.769985066,0.335893732,0.235437737,0.492189059,0.6,0,0,0,1,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.102062073,0,0,0,0.40824829,0.552585858,0.288675135,0.144337567,0.195368604,0.102062073,6.405777394,3.808060412,2.682521985,1.562948829,1.129936127,0.288675135,0.144337567,0,0.800722174,0.54400863,0.383217426,0.260491471,0.225987225,0.144337567,0.144337567,0,5.736675415,3.325444489,2.038675135,1.057677536,0.682677536,0.25,0.125,0,0.717084427,0.475063498,0.291239305,0.176279589,0.136535507,0.125,0.125,0,11.50759373,21.54552076,20.42745098,20.72,13.07012096,169.3523066,0.523072442,0.979341853,0.928520499,0.941818182,0.594096407,7.697832118,2.1557,34.823,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,61,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,2,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.64305556,0.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.945833333,0.802777778,0,0,0,0,0,0,0,0,0,0,4.070555556,0,3.541018519,0,0,0,0,0,0,0.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.64305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.64305556,0.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.265625,0.401388889,0,0,0,0,0,0,0,0,0,0,2.035277778,0,0.771666667,0,0,0,0,0,0,0.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.64305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.64305556,0.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.035277778,0,0.998842593,0,0,0,0,0,0,0.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.64305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.66666667,2.333333333,0.465972222,10.64305556,0.265625,0.412037037,3.407153704,1.25462963,3.643055556,7.427222222,1.25462963,3.643055556,7.427222222,3.83333,0.47917,0,0.02083,0.4803,0.79583,0.42308,0.4803,0.79583,0.05723,0,-0.05723,0,0.60209,0.1122,0,0.34783,0.13043,0,5.25,0.65625,3.75,0.46875,1.5,0.1875,-2.25,-0.28125,0,0,6.52331,0.81541,8.49821,1.97491,0.24686,3.11989,0.38999,3.80805,0.68816,0.08602,0.10595,0.01324,0.10595,0.01324,0,7.01,1,1,1,1,0,0,0.857142857,1.143320102,1.763842123,2.754441846,2.754441846,2.572623664,2.006285863,25.15304225,38.8045267,60.59772061,60.59772061,56.59772061,44.13828899,0.256382472,0.395530703,0.617666573,0.617666573,0.576894969,0.449897214,3.316111517,2.695589496,1.704989773,1.704989773,1.886807955,2.453145756,0.256382472,0.395530703,0.617666573,0.617666573,0.576894969,0.449897214,9.968326343,17.41459059,18.41294179,18.41294179,16.23112361,13.43222453,29.50877429,19.9690069,20.80426451,20.80426451,23.98847895,23.4405345,8,5.142857143,5,8,1,7,2.12,1.1106,0.166666667,3.181082915,0.666666667,0,2.941682753,2.828427125,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,3.887,7,6,5,2,1,0,0,0,0,36,2.197224577,2.302585093,2.197224577,2.079441542,1.098612289,0.693147181,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.666666667,0.375,0.08,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.0625,0.016,0.027777778,0,0,0,0,0,0.415801587,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,17.07,135.7821191,4,3.36729583,4.007333185,4.709530201,5.370638028,6.084499413,6.751101469,7.467942332,8.135932772,8.853522561,69.74779579,2.708050201,0,3.761200116,0,4.990432587,0,6.304448802,0,7.656810091,7.96241568,114.1044651,5.186566594,14.6584741,1.832309262,2.451123717,2.451123717,0,75,6,1.829,28,1.233333333,2.127905567,2.879963448,3.626157149,4.998700783,5.91775836,7.149878224,8.248855885,0,0,82.62061363,84.68613563,85.30766813,120.2020426,105.8917791,72.77475524,36.43541789,8.381365506,0,0,286.274389,326.4421231,346.2299747,461.0646672,570.7372697,495.8431079,442.2617771,256.4053282,0,0,9.129617831,15.44937041,21.10811278,26.71489668,37.45207611,40.95389848,49.08605775,55.41964131,0,0,2.113145198,2.618596231,2.857514906,3.736626653,4.919534301,4.904078731,4.93829558,3.667547777,0,0,177.4424221,332.3311183,476.9848627,593.5825949,822.5762649,1001.109252,1238.513869,1525.359062,0,0,3.063896825,4.569429287,6.723641518,9.522286626,12.96143187,8.435909828,9.779994616,8.248855885,0,0,0.449709286,0.578472985,0.65518638,0.863249335,1.135092924,1.067368071,1.094051546,0.844682843,0,0,396.6680586,209.2560639,12.30183333,174.6310972,-92.12391884,-17.69022139,222.0369613,301.3799827,29.99205472,0.694326352,0.366281066,0.021533085,0.305673648,-0.161253378,-0.0309649,226.616127,119.5478126,7.028026999,99.76659844,-52.63031706,-10.10640854,0.251395463,0.567111721,4.506447523,17.97572681,539.6021795,31.69697636,0.944517726,0.055482274,506.3771674,22.50282577,7.970606549,641.9956726,25.33763352,8.626686854,834.4376527,28.8866345,9.414515271,2.369854061,2.369854061,714.7792402,662.9069966,71.93087291,1.078249655,9.937029974,9.215889781,4.225634109,4.434143809,8.849939625,0.995862111,3.917822784,5.778255412,2.144191084,13.73535324,6.281247875,0.096321537,2.418519278,4.848570807,9.69458112,0.056183925,2.986761539,4.629390488,4.337108891,1.411994453,3.955765266,0.160093208,0.210434626,8.89E-19,7.24E-58,1.14E-118,3.44E-201,2.01E-305,0,0,0,0,0,0,0,0,0.345289482,5.778031215,0.143569305,5.499030446,0.244988666,0.001013467,0.688941594,0.419490207,2.178745415,0.004546501,0.025288826,0.089209154,0.062783265,0.994833228,0.063979185,0.001128688,0.001482108,6.26E-21,5.10E-60,8.01E-121,2.43E-203,1.42E-307,0,0,0,0,0,0,0,0,1.067258616,5.777928829,0.487425109,5.801936037,0.728915259,0.007582383,0.942794963,1.081555985,3.16845992,0.014787768,0.223596299,0.47918478,0.40114145,1.079984726,0.383125962,0.011752859,0.015444711,6.52E-20,5.31E-59,8.34E-120,2.53E-202,1.48E-306,0,0,0,0,0,0,0,0,3.70321596,5.778289294,1.998892439,13.87055478,6.222405802,0.085928495,2.368613887,5.105316979,9.041906423,0.052916931,2.661764941,4.161551625,3.886482785,1.386456141,3.549385299,0.142640949,0.187493463,7.92E-19,6.45E-58,1.01E-118,3.07E-201,1.79E-305,0,0,0,0,0,0,0,0,1.565367409,5.777907687,0.742626849,6.245441598,1.137391006,0.015917679,1.151201142,1.452354936,4.009509667,0.021906865,0.480335047,0.906269592,0.792005852,1.13843856,0.743321703,0.025525981,0.033547976,1.42E-19,1.15E-58,1.81E-119,5.49E-202,3.21E-306,0,0,0,0,0,0,0,0,4.731361413,5.77842984,2.708082133,17.67954452,9.078174343,0.13997852,2.862002678,6.424638588,12.32998317,0.068400247,4.35323522,6.577195573,6.220118691,1.506551329,5.651303648,0.233477186,0.306899125,1.30E-18,1.06E-57,1.66E-118,5.02E-201,2.94E-305,0,0,0,0,0,0,0,0,2.465203933,5.371652532,1.140607339,14.92764788,5.919883301,0.035140263,2.2598575,6.202334706,5.433989438,0.030893517,1.078730141,1.915995087,1.636835464,1.705399891,1.593204377,0.057638883,0.075756465,3.20E-19,2.61E-58,4.09E-119,1.24E-201,7.25E-306,0,0,0,0,0,0,0,0,7.876774435,0.790237663,0.452338377,0.863742923,0.086655038,0.584213114,0.538919363,0.545435764,9.119350476,10.14494601,22.07988749,0.795614384,1.668568241,5.721961217,0.593458135,0.087846848,0.893600397,0.092680535,0.308293693,0.303939483,0.020571649,6.4032662,3.950534113,10.65210576,0.840400595,0.632804825,6.836039468,0.580924648,0.234278744,0.893454775,0.075925527,0.440031364,0.291237987,0.146312865,7.65124286,5.70886086,14.29047705,0.840182162,0.877582216,7.705115294,0.809033981,0.435977007,0.86089459,0.090393583,0.559027003,0.564861445,0.50669184,8.950126282,9.945673419,21.61354961,0.791341885,1.630580287,7.293399512,0.60192089,0.304005241,0.889512117,0.073411024,0.500880916,0.312670654,0.246364927,8.199325642,6.790268302,16.32419201,0.834268176,1.059916497,7.972386325,0.826092267,0.478484324,0.859374603,0.089047706,0.598482088,0.588932425,0.610312364,9.276962917,10.79586078,23.22408638,0.789061905,1.797726877,7.710452174,0.814514543,0.435662308,0.860481128,0.09089926,0.559801686,0.572540347,0.505960619,8.960629025,9.994282107,21.69099042,0.790721692,1.638302651 +UMLMON0232,L,4-Heptanone,CCCC(=O)CCC,31246,Sandia and Co optima database valuese measured by NREL,Sandia,,C7H14O,PubChem,,89.1,0,-0.1638,0.02683044,24.4562,17.603516,0,0,18,6,12,0,5,0,1,0,0,0,0,0,0,0,989.481374,918.525433,1003.316377,769.312871,559.034538,134.18496,6.096384,0,0,2706.980219,3340.91352,4245.280188,4043.695316,2726.669026,1125.643694,186.5024666,0,0,131.675864,127.961068,226.768108,280.468388,275.794488,158.402304,40.310784,0,0,19.92305886,25.2786954,34.93808817,36.48214284,26.57775802,11.2156643,2.667677429,0,0,3038.434891,2530.053054,4960.191286,6428.598677,6799.160259,3821.280232,1109.505912,0,0,62.27777778,43.91666667,64.66666667,74.66666667,73.33333333,53,6,0,0,54.97118744,54.03090782,32.36504442,19.72597105,14.33421892,6.38976,1.016064,0,0,150.3877899,196.5243247,136.9445222,103.6844953,69.9145904,53.60208067,31.08374443,0,0,7.315325778,7.527121647,7.315100258,7.191497128,7.071653538,7.542966857,6.718464,0,0,1.106836603,1.486982082,1.127035102,0.93543956,0.681480975,0.534079252,0.444612905,0,0,168.8019384,148.8266503,160.0061705,164.8358635,174.3374425,181.9657253,184.917652,0,0,3.459876543,2.583333333,2.086021505,1.914529915,1.88034188,2.523809524,1,0,0,0.225203329,-0.101462182,-0.025577948,-0.004255898,0.049056005,-0.059646296,0.029284654,0,0,557.7912351,-66.11605249,-126.6202505,-247.7438725,188.5874278,-117.7591669,90.75629696,0,0,815.6252945,-79.2452518,-166.6805924,-442.064738,86.54347906,62.48144501,131.1530109,0,0,1.059967111,-0.095141383,-0.136576247,-0.101138519,0.203062815,-0.462342519,0.062152296,0,0,3.576219349,-0.265723223,-0.593319447,-1.950975569,-0.383008841,0.913523069,0.491394336,0,0,19.7674611,-1.32649563,-3.008159357,-10.57865728,-3.365846977,5.872933101,2.522495592,0,0,23.75308642,-3.575445816,-2.114883402,-4.252057613,7.093621399,-10.31378601,1.28600823,0,0,0.012511296,-0.005968364,-8.25E-04,-1.09E-04,0.001257846,-0.0028403,0.004880776,0,0,30.98840195,-3.889179558,-4.084524209,-6.352406988,4.835575072,-5.607579374,15.12604949,0,0,45.31251636,-4.6614854,-5.376793304,-11.33499328,2.219063566,2.975306905,21.85883516,0,0,0.058887062,-0.005596552,-0.004405685,-0.002593295,0.005206739,-0.02201631,0.010358716,0,0,0.198678853,-0.015630778,-0.019139337,-0.050025015,-0.00982074,0.043501099,0.081899056,0,0,1.098192283,-0.078029155,-0.097037399,-0.271247623,-0.086303769,0.279663481,0.420415932,0,0,1.319615912,-0.210320342,-0.068222045,-0.109027118,0.181887728,-0.491132667,0.214334705,0,0,-0.477038,-0.065948011,-0.008722165,0.100536849,-0.227018831,0.390109521,0,0,-0.12550436,-0.131808159,-0.204993049,0.156044674,-0.180957359,0.488119701,0,0,-0.102874123,-0.118660223,-0.250151486,0.04897242,0.065661922,0.482401705,0,0,-0.095038736,-0.074815847,-0.044038457,0.088419063,-0.373873475,0.175908183,0,0,-0.078673586,-0.096333036,-0.25178832,-0.049430221,0.218951831,0.412218285,0,0,-0.071052361,-0.088361028,-0.246994654,-0.07858712,0.254658028,0.382825429,0,0,-0.159379968,-0.051698411,-0.082620342,0.13783384,-0.372178497,0.162422037,0,0,1.381647489,0.797523556,0.703918411,0.574403292,2.241022284,1.312124678,0,0,1.409452341,1.180958298,1.127929489,0.620590972,1.15415738,0,0,0,1.590373361,1.278605214,1.25695846,0.702444932,0.47191233,0,0,0,1.043987109,0.894935497,0.730864767,0.624596254,2.602201853,0,0,0,1.655711089,1.29519174,1.274853026,0.767636808,0.240231621,0,0,0,1.661705788,1.290419824,1.266822954,0.785624606,0.223930104,0,0,0,1.121491684,0.867685769,0.775337838,0.574494243,2.59013959,0,0,0,21.03843826,10.64421913,16.53344786,21.20510493,3.534184155,10.6442802,0.25,0.03423935,0.005706558,-2.024627828,18.44631192,3.074385319,1.748918673,21.04159492,10.64543025,16.53541862,21.20777197,3.534628661,10.64549123,0.249265579,0.03436061,0.005726768,-2.022506657,18.45212233,3.075353722,1.749107637,23.85581025,11.72840789,18.45418449,23.58981393,3.931635656,11.72842654,-0.398994478,0.142916857,0.023819476,-1.167295342,54.25438409,9.042397349,2.396210281,21.04490793,10.64670137,16.53748742,21.21057113,3.535095189,10.64676226,0.2484948,0.034487888,0.005747981,-2.020288247,18.45823249,3.076372081,1.749306286,26.86533089,12.89151831,20.84496718,26.14380138,4.35730023,12.89152393,-1.082294264,0.242945972,0.040490995,-0.848949719,23.07833029,3.846388381,1.883336457,21.36927278,10.77120348,16.74213892,21.48469557,3.580782595,10.77125626,0.173134186,0.047002079,0.00783368,-1.834538061,19.12118786,3.186864644,1.77047822,23.14655849,11.86494591,18.91500556,23.53544738,3.922574563,11.8649656,0.583333333,0.010495254,0.001749209,-2.734099248,15.42880713,2.571467855,1.641741813,0,11.99640057,15.99794223,-0.421693145,0.069896371,3.94567306,7.130879209,5,17,17,17,5,0,0,0,0,0,13.118484,3.462418327,2.91648782,2.333552793,2.040933935,1.28574234,0.964708207,0.083923071,0.083923071,1.86924803,1.439292845,1.249629723,0.837367765,0.404664916,0.368072746,0.083923071,0.083923071,3.47524016,2.870216801,2.405454588,1.962147931,1.237459261,1.076289878,0.270913902,0.270913902,1.816145112,1.398211226,1.134540686,0.777757418,0.342099114,0.217772547,0.270913902,0.270913902,3.612996741,3.123387144,2.704236987,2.368380831,1.787154642,1.581745336,0.943918427,0.943918427,1.624704692,1.088905786,0.76031856,0.315183995,0.262408825,0.34297587,0.943918427,0.943918427,3.492727995,2.880745109,2.457539916,1.976935215,1.263019408,1.150329754,0.399277246,0.399277246,1.783140158,1.373248962,1.058262671,0.739514765,0.280283032,0.110944814,0.399277246,0.399277246,3.670016378,3.191117386,2.838982085,2.473156797,1.944506285,1.788259369,1.207644823,1.207644823,1.569734502,1.015337418,0.631337262,0.198876004,0.422028567,0.54247333,1.207644823,1.207644823,4.283658108,3.45023646,2.657839583,2.62349744,1.744937136,1.290879504,0.6,0.6,1.729725471,1.152692448,0.857839583,0.441422377,0.020290283,0.310341364,0.6,0.6,0,0,0,0,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.288675135,0,0.288675135,0.129099445,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.438777427,2.379176595,1.906128782,0.706449714,0.25819889,0,0,0,0.739796238,0.475835319,0.381225756,0.235483238,0.129099445,0,0,0,8.965765927,17.6576839,16.70196078,16.96,10.27156647,139.5813569,0.498098107,0.980982439,0.92788671,0.942222222,0.570642582,7.754519827,1.0248,26.5408,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.696388889,0,8.236666667,0,0,0,0,0,0,0,0,0,0,0.696388889,0,0,0,0,0,0,0,0,0,0,0,0,0,1.503611111,0,0,0,0,0,0,0,0,0,0,0,4.186944444,0,1.261574074,0,0,0,0.648148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.236666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.696388889,0,8.236666667,0,0,0,0,0,0,0,0,0,0,0.696388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,2.093472222,0,0.331018519,0,0,0,0.648148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.236666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.696388889,0,8.236666667,0,0,0,0,0,0,0,0,0,0,0.696388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.093472222,0,0.930555556,0,0,0,0.648148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.236666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,2.388888889,0.696388889,8.236666667,0.24,0.331018519,2.692301667,1.168981481,2.236666667,4.847222222,1.168981481,2.236666667,4.847222222,2.83333,0.47222,0,0.02778,0.47593,0.82778,0.42,0.47593,0.75238,0.05593,0,-0.05593,0.0754,0.57047,0.14382,0,0.47059,0.17647,0,2.75,0.45833,2.75,0.45833,0,0,-2.75,-0.45833,0,0,4.94044,0.82341,5.69868,0.75825,0.12637,2.43179,0.4053,2.77005,0.33826,0.05638,0.14395,0.02399,0.14395,0.02399,0,5.01,1,1,1,1,1,1,1,1.134969975,1.94471679,2.974937501,2.974937501,2.743275001,1.927736112,20.42945954,35.00490222,53.54887502,53.54887502,49.37895002,34.69925001,0.272179949,0.46636733,0.7134271,0.7134271,0.657871544,0.462295152,3.034955027,2.225208211,1.1949875,1.1949875,1.42665,2.24218889,0.27767102,0.475776017,0.727820072,0.727820072,0.671143716,0.471621685,10.25843817,16.9429018,17.98118402,17.98118402,15.20123402,9.286364046,21.93297423,15.25754858,15.29189723,15.29189723,13.90192223,10.41754445,6,3.2,5.333333333,6,0,4,1.9,0.8718,0.5,1.632993162,2,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,2.891,5,3,2,0,0,0,0,0,0,21,1.791759469,1.791759469,1.386294361,1.098612289,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,20.23,103.8266085,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,88.088815,4.893823056,10.67917749,1.779862916,2.371664406,2.371664406,0,32,3,1.359,20,1.216411765,2.109021302,2.857296108,3.420592759,4.249390484,4.823337804,0,0,0,0,77.15821427,76.95587386,64.2249547,60.82442208,29.96915978,4.900819903,0,0,0,0,263.9099389,311.6444121,312.7481436,261.4279808,238.410252,149.9273996,0,0,0,0,9.180431628,15.49152274,20.61183636,24.44651994,32.52611578,32.4054214,0,0,0,0,1.941447524,2.511694225,2.759889535,2.432717428,2.301180115,2.144518232,0,0,0,0,178.6200885,333.7215899,468.4416594,592.1892674,772.5042007,891.9203017,0,0,0,0,3.19902451,4.551395188,5.628851457,7.16787034,11.59077722,4.823337804,0,0,0,0,0.425350094,0.558441024,0.62477506,0.591276659,0.635776371,0.493909791,0,0,0,0,343.9261176,204.0354472,16.43490903,136.526589,-80.99490625,-20.44013767,207.3995285,285.0303534,36.8750467,0.715837611,0.424673322,0.034207132,0.284162389,-0.168580393,-0.042543496,165.240234,98.02938284,7.896196525,65.59456923,-38.91422193,-9.820519466,0.35351441,0.666992915,12.21556297,25.09266047,408.277487,72.1752196,0.849776641,0.150223359,346.0061755,18.60124124,7.020390718,470.5945044,21.69319028,7.778256915,533.4844305,23.09728188,8.110368425,1.393126442,1.175486662,319.2048819,273.797044,72.97376279,1.16584488,4.374241778,3.751992957,3.637226539,3.22022378,5.518795453,0.713792528,3.782243497,4.176856481,3.910829914,12.90352341,3.546398532,3.481182611,3.7073513,5.270687559,2.255741749,2.036368089,1.76E-10,3.08E-42,1.04E-95,6.80E-171,8.56E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337322539,4.303721667,0.323266403,4.507786976,0.523527563,0.168093041,0.326121674,0.235148514,0.180013865,0.216562928,1.96E-11,3.44E-43,1.16E-96,7.60E-172,9.57E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.969469194,4.067498091,0.8059425,5.440670747,0.734822073,0.50436654,0.704701095,0.866995938,0.269677551,0.381621746,3.40E-11,5.96E-43,2.02E-96,1.32E-171,1.66E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.793087398,4.303390768,4.162070825,12.36072097,3.2178042,3.335794976,3.751678193,4.888419544,2.181438163,2.519143272,2.21E-10,3.87E-42,1.31E-95,8.54E-171,1.07E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.361918399,3.977741653,1.069628611,6.271838234,1.000341038,0.793728935,0.970474878,1.401573278,0.401825701,0.387051908,3.37E-11,5.91E-43,2.00E-96,1.30E-171,1.64E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.748236975,4.257095599,5.295221807,16.09625915,4.926011656,4.846417588,5.074454609,7.106839781,3.266668991,2.973911168,2.56E-10,4.50E-42,1.52E-95,9.93E-171,1.25E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.48411676,4.512394242,4.595642426,9.722707044,1.652774087,2.499830292,3.537707717,2.753926161,1.829983411,4.208175198,3.79E-10,6.65E-42,2.25E-95,1.47E-170,1.85E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.800096399,1.284945341,0.552908154,0.603735802,0.277050285,0.531915669,0.509643496,0.410262206,4.637949894,5.856623709,12.48392101,0.405603703,1.451821371,3.100166461,0.672287146,0.15671345,0.789013655,0.171101696,0.652141255,0.140431633,0.032423057,3.929167057,2.675396283,6.931185837,0.683520482,0.824995945,2.625163578,0.960614226,0.327016505,0.670917858,0.245505935,0.467441484,0.284261968,0.142778247,3.912794308,3.694378003,8.431832551,0.506376788,0.8944817,2.913668466,1.247984359,0.533799821,0.620529837,0.265785741,0.575926829,0.482070027,0.381949116,4.695452647,5.857702208,12.49416453,0.430794756,1.439945972,2.508159296,1.084548083,0.404556555,0.627469023,0.27132261,0.427005334,0.360213978,0.219077431,3.997263935,4.173672679,9.271419186,0.441203535,1.006296743,2.858985779,1.317464099,0.577555986,0.601384571,0.277127151,0.554531264,0.536468595,0.447728124,4.754005864,6.178744751,13.10817942,0.402076857,1.538727983,2.913848976,1.253555545,0.534858774,0.619669464,0.266585571,0.575995126,0.486315941,0.383435906,4.702263294,5.881644412,12.53757113,0.429504196,1.445746974 +UMLMON0233,L,3-Methylbutan-1-ol,CC(C)CCO,31260,"Sandia values from the co-optima database from source dissertation (Incorporation of Higher Carbon Number Alcohols in Gasoline Blends for Application in Spark-Ignition Engines, page 194)",Sandia,,C5H12O,PubChem,,86.8,0,-0.5163,0.26656569,35.4649,26.352688,0,0,26,10,16,0,8,0,2,0,0,0,0,0,0,0,1682.305994,1635.790101,1887.781373,1640.907548,1482.462883,1137.947589,898.906268,504.414626,275.495641,4318.256679,5285.075779,6501.791035,6296.400774,5594.769414,4721.063408,3654.726637,2682.582579,1881.72051,194.522984,189.22686,344.824556,416.345288,339.266596,316.9281,265.94048,203.151368,145.901476,30.71141448,38.56812896,51.29106537,51.30685889,44.65060616,38.83004553,30.87189014,23.25443575,18.37047215,4343.939853,3670.756885,7358.856922,9431.398662,7423.366057,7022.167554,6097.165481,4591.973822,3507.196353,99.27777778,65,116.0833333,122.25,118.3333333,106.6666667,82.75,62,31,64.70407669,65.43160404,41.0387255,29.3019205,32.94361962,27.09399021,24.96961856,18.68202319,13.11884005,166.0867953,211.4030311,141.3432834,112.4357281,124.3282092,112.4062716,101.5201844,99.35491033,89.60573856,7.481653231,7.5690744,7.496186,7.434737286,7.539257689,7.545907143,7.387235556,7.524124741,6.947689333,1.181208249,1.542725158,1.11502316,0.916193909,0.992235693,0.924524894,0.857552504,0.861275398,0.874784388,167.0746097,146.8302754,159.9751505,168.4178333,164.9636902,167.1944656,169.3657078,170.0731045,167.0093502,3.818376068,2.6,2.523550725,2.183035714,2.62962963,2.53968254,2.298611111,2.296296296,1.476190476,0.273574206,-0.162254146,0.057624304,-0.02632382,0.002474769,-0.011954994,0.032736479,-0.040945026,0.002582409,882.3953095,-16.00761486,-51.54279203,75.18041669,-154.503831,-252.6188393,6.470782485,-259.122557,-45.6104834,1232.223078,-150.640033,-371.3571158,241.0698199,-166.9058405,-214.9172425,14.83699372,-114.8847827,-138.4201997,2.012233846,0.022008994,0.808429041,-0.424900592,-0.474928426,-0.612785751,-0.20596071,-0.583615148,0.13505974,5.44084932,-1.061852848,-2.005132993,1.105999017,-0.657110377,-0.504096155,-0.07134843,0.341578662,-0.69676274,30.33541873,-6.445201195,-11.10342427,5.842720531,-3.629174365,-2.203469511,-0.733465935,3.112537506,-3.852690322,38.76068376,-0.387409599,11.59648258,-5.238823143,-8.060157791,-13.74161736,-0.514792899,-9.4117357,2.071499014,0.010522085,-0.006490166,0.001252702,-4.70E-04,5.50E-05,-2.85E-04,9.09E-04,-0.001516482,1.23E-04,33.93828114,-0.640304595,-1.120495479,1.342507441,-3.433418466,-6.014734268,0.179743958,-9.59713174,-2.171927781,47.39319532,-6.02560132,-8.072980778,4.304818212,-3.709018678,-5.117077203,0.412138715,-4.254991951,-6.591438079,0.077393609,8.80E-04,0.017574544,-0.007587511,-0.010553965,-0.014590137,-0.005721131,-0.021615376,0.006431416,0.209263435,-0.042474114,-0.043589848,0.019749982,-0.014602453,-0.012002289,-0.001981901,0.012651062,-0.033179178,1.166746874,-0.257808048,-0.241378788,0.104334295,-0.080648319,-0.05246356,-0.020374054,0.115279167,-0.183461444,1.490795529,-0.015496384,0.252097447,-0.093550413,-0.179114618,-0.327181366,-0.014299803,-0.348582804,0.09864281,-0.616813678,0.119054567,-0.044674437,0.005226614,-0.027051932,0.086422669,-0.144123763,0.011687023,-0.018866736,-0.033015681,0.03955732,-0.10116654,-0.17722566,0.005296201,-0.282781903,-0.063996399,-0.127140643,-0.170340504,0.090831989,-0.078260574,-0.107970715,0.008696158,-0.089780651,-0.139079841,0.011375096,0.227080046,-0.098037947,-0.136367396,-0.188518626,-0.073922522,-0.279291482,0.083100093,-0.202969591,-0.20830131,0.094378564,-0.06978024,-0.057354929,-0.009470842,0.060455194,-0.1585522,-0.220963136,-0.206881881,0.089423248,-0.069122379,-0.044965674,-0.017462274,0.098803922,-0.157241856,-0.010394708,0.169102632,-0.062752008,-0.120147005,-0.219467633,-0.009592062,-0.233823349,0.0661679,1.623150227,0.925271279,1.207795154,1.252212987,1.150496934,0.945966809,1.129264093,0.143192233,1.12464819,1.047900149,0.930640842,1.125497408,1.194656425,0.937914506,1.279122766,0.816675925,1.503536455,1.251118583,0.81781684,1.049666319,1.027726997,0.874721933,0.94936449,1.087501242,0.708875861,0.715496191,1.194864321,1.334523489,1.467702534,1.112102908,1.606034345,0.070154205,1.687517838,1.321076151,0.799895278,1.045874025,0.970261852,0.871561688,0.780064773,1.101045148,1.716599977,1.324714486,0.806585751,1.053807498,0.96727322,0.878172915,0.750933124,1.072711316,0.578335171,0.497369493,1.005867066,1.59991731,1.800578831,1.048844634,1.564682102,0.08446212,56.16223156,28.33111578,44.58317295,56.56223156,5.656223156,28.33111578,0.5,0.174661586,0.017466159,-1.744904974,49.08128707,4.908128707,3.893477843,56.17586174,28.33719645,44.59140359,56.57468667,5.657468667,28.33719645,0.498531158,0.174400498,0.01744005,-1.746400915,49.11503685,4.911503685,3.894165238,68.38541073,33.79371089,52.46916795,67.74701957,6.774701957,33.79371089,-0.797988956,0.043224377,0.004322438,-3.141350662,54.19008308,5.419008308,3.992497923,56.19016729,28.34357844,44.60004342,56.58775897,5.658775897,28.34357844,0.4969896,0.174126499,0.01741265,-1.747973238,49.15061269,4.915061269,3.894889312,81.52709482,39.68125315,61.9148761,79.795424,7.9795424,39.68125315,-2.164588529,0.218542696,0.02185427,-1.520773879,339.0614638,33.90614638,5.8261814,57.59171293,28.96899065,45.4532935,57.86872762,5.786872762,28.96899065,0.346268372,0.147421352,0.014742135,-1.914460454,53.61553024,5.361553024,3.981838769,56.72145246,28.60250206,46.39485374,57.39275727,5.739275727,28.60250206,1.175198413,0.311673945,0.031167395,-1.165797685,40.5042466,4.05042466,3.701406823,0,11.89,15.99591866,-0.315935821,0.261476507,4.154010022,7.132818625,9,25,24,24,8,1,1,0,0,1,20.365312,3.56033902,3.29307941,3.008776862,2.667207329,2.086998322,1.888615365,1.510894416,1.168027777,1.872042728,1.668135968,1.557633873,1.18177923,0.89205759,0.775850762,0.566533513,0.390769295,3.503868833,3.242001221,3.022284937,2.627037221,2.09365378,1.843069566,1.56096688,1.277473949,1.828227031,1.647439946,1.48794273,1.148461388,0.829681516,0.670483442,0.47628009,0.360257976,3.660149323,3.445207531,3.215996408,2.881237173,2.42740193,2.22812728,1.980635824,1.757957422,1.63603894,1.391453152,1.232244326,0.832154155,0.414010637,0.229680515,0.00674414,0.173985825,3.509648174,3.235336266,3.046402375,2.629060967,2.116598692,1.879312381,1.609363621,1.35803469,1.810216225,1.63463559,1.443518759,1.128765491,0.779092146,0.607844841,0.415874258,0.26798367,3.696031933,3.489934091,3.293859041,2.946528113,2.542125953,2.352097872,2.13423319,1.954458698,1.589385676,1.345156527,1.155932847,0.766678741,0.306928937,0.094774632,0.150489402,0.362448621,4.959434087,3.461926318,3.411525631,3.025528225,2.617479367,2.361965163,1.849978941,1.595098544,1.739404554,1.399840359,1.313273175,0.857031449,0.49569111,0.401775707,0.150724585,0.216943107,0,0,1,0,0,3,4,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.40824829,0.49279928,0.348461713,0.083333333,0.100592232,0.071129449,7.819990956,4.808060412,3.389628766,2.08195123,1.379936127,0.637136847,0.420630496,0.144337567,0.781999096,0.534228935,0.376625418,0.260243904,0.197133732,0.127427369,0.105157624,0.072168784,6.852030487,3.964690378,2.262127951,1.289779436,0.752493989,0.350261893,0.189177501,0.072168784,0.685203049,0.440521153,0.25134755,0.16122243,0.107499141,0.070052379,0.047294375,0.036084392,13.76422064,25.76402039,24.50196078,24.88,15.34891497,200.5350826,0.529393102,0.990923861,0.942383107,0.956923077,0.590342883,7.712887794,2.1298,40.775,31.26412072,48.34375653,62.52824143,6.252824143,31.26412072,0.070144679,0.007014468,-2.65719533,225.9137237,22.59137237,5.420153173,107,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,1,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.44515306,-0.059305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.644529478,0.5125,0,0,0,0,0,0,0,0,0,0,3.947296391,0,4.33352277,0,0,0,0,0,0,-0.059305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.69565193,4.749501134,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.749501134,-0.059305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252862812,0.5125,0,0,0,0,0,0,0,0,0,0,1.831072137,0,0.504918981,0,0,0,0,0,0,-0.059305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.69565193,4.749501134,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.69565193,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,2.116224254,0,1.1521875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.69565193,4.749501134,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.66666667,2.366666667,0.555902778,10.69565193,0.217369615,-0.059305556,3.802352099,1.725972222,3.695651927,10.12275463,1.725972222,3.695651927,10.12275463,4.66666,0.46667,0,0.03333,0.51282,0.85333,0.425,0.51282,0.85333,0.08782,0,-0.08782,0,0.54687,0.16742,0,0.28571,0.10714,0,6.75,0.675,5.25,0.525,1.5,0.15,-3.75,-0.375,0,0,8.3728,0.83728,11.45959,3.08679,0.30868,3.72862,0.37286,4.80805,1.07943,0.10794,0.10595,0.01059,0.10595,0.01059,0,9.02,2,2,2,2,0,0,0.875,1.238901257,1.979097891,3.353533949,3.87314068,3.763342488,3.767183468,32.21143267,51.45654517,87.19188266,100.7016577,97.8469047,97.94677017,0.263571353,0.421045266,0.713451113,0.823995394,0.800636263,0.801453416,3.461538462,2.721341827,1.34690577,0.827299039,0.93709723,0.93325625,0.263571353,0.421045266,0.713451113,0.823995394,0.800636263,0.801453416,11.26589917,20.45555991,24.69655503,24.37467578,25.10957033,23.10318924,36.56521118,22.92976312,18.56715459,17.82003088,17.21297165,19.79013004,10,7.111111111,7,10,3,6,2.12,1.3102,0.125,3.055210537,0.516397779,0,4.329638386,2.305269779,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,4.356,9,8,7,5,4,2,1,0,0,55,2.397895273,2.48490665,2.397895273,2.302585093,1.945910149,1.791759469,1.098612289,0.693147181,0,0,4.17438727,1.163636364,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0.666666667,8,0.888888889,0,4,8,1,1.5,0.666666667,0.375,0.16,0.111111111,0.040816327,0.03125,0,0,0,0.166666667,0.074074074,0.046875,0.022857143,0.022222222,0.010204082,0.015625,0,0,0,0.358524187,31.26412072,48.34375653,62.52824143,6.252824143,31.26412072,0.070144679,0.007014468,-2.65719533,225.9137237,22.59137237,5.420153173,26.3,161.8683304,4.321928095,3.610917913,4.262679877,4.96284463,5.638354669,6.350885717,7.03438793,7.751475318,8.43793351,9.156834104,76.20631367,2.944438979,0,4.007333185,0,5.231108617,0,6.532334292,0,7.874358825,8.183955717,144.1150298,5.54288576,18.65329825,1.865329825,5.301747397,5.301747397,0,150,8,2.624,36,1.2352,2.12158241,2.850713799,3.661376198,4.880759405,5.809153667,7.086863467,8.147945975,9.28620867,10.27007912,91.62129167,95.93343221,95.41632704,144.7588151,150.4518542,168.4675484,148.2218311,119.9326994,46.21406189,10.43505767,284.102958,319.4930971,349.6091066,517.7083256,593.1384217,648.4451542,751.940026,780.306911,566.049426,319.2325147,9.406569307,16.00720838,21.25906386,27.67428982,36.94008712,43.17529876,53.53015921,56.77542536,63.71273011,68.99915686,2.0225454,2.472849366,2.775478107,4.019029038,4.770774279,5.324750446,6.395323298,7.473591346,6.346995654,4.566209711,179.5630998,336.2821431,476.5279629,591.2165145,808.4854805,972.0827604,1196.956326,1348.073345,1611.748918,1899.118917,3.300023333,5.608678105,6.342263329,9.700999642,12.54496278,13.83330023,16.51586393,12.41530515,12.60228477,10.27007912,0.4520484,0.576500663,0.65524002,0.947359755,1.141852188,1.275997,1.514144833,1.61635436,1.407199839,1.051656102,413.6377967,347.8547254,13.21628724,181.7679449,-152.8603988,-19.40609815,231.8698518,500.7151242,32.62238538,0.694715835,0.584231392,0.022197111,0.305284165,-0.256733162,-0.032593065,246.2823191,207.1147008,7.869053303,108.225678,-91.01395911,-11.55450226,0.310881643,0.375631365,1.525182115,3.786934401,550.942609,44.46313263,0.92532297,0.07467703,710.1477289,26.64859713,8.921740098,865.1403062,29.41326752,9.52859457,1206.829674,34.73945414,10.6467076,2.516319101,2.516319101,1384.350724,1316.968261,90.77032608,1.051164835,15.25113751,14.50879729,4.892822753,5.645455692,10.96738828,0.942693181,4.475634913,6.190062996,3.832751298,21.14661438,9.369673121,1.753246829,5.635879024,8.453112546,9.885500428,1.344439828,4.314933598,3.639491596,4.182335764,0.676068309,2.8818695,6.80655065,4.711386858,0.404758153,3.653867229,0.012306063,1.860704562,9.58E-13,9.84E-47,1.95E-102,7.44E-180,5.49E-279,0,0,0,0,0.392116545,6.340943917,0.330720953,5.406239159,0.225538147,1.674962566,0.800181695,0.539421956,3.461480306,0.036201083,2.729625704,1.096556164,0.580222191,0.010941517,0.114235158,1.68785838,0.220578163,0.260598605,0.026123061,0.001024644,0.013105094,6.74E-15,6.93E-49,1.37E-104,5.24E-182,3.86E-281,0,0,0,0,1.218382569,6.059867195,0.815643206,6.411097846,0.873229926,1.528406995,1.405314455,1.374328913,3.630735394,0.167354168,2.505701871,0.953322755,0.940064244,0.054813652,0.322494951,2.291475213,0.827244371,0.286844231,0.269170768,0.003313025,0.136565187,7.03E-14,7.22E-48,1.43E-103,5.46E-181,4.03E-280,0,0,0,0,4.229749369,6.340617585,4.09638297,21.02628549,8.899522602,1.831372621,5.608432634,8.235526094,10.57144737,1.216278306,4.34688063,3.790412671,4.811376703,0.604781177,2.888916196,6.337099882,4.326793768,0.394807685,3.255797214,0.01161033,1.657854265,8.53E-13,8.76E-47,1.74E-102,6.63E-180,4.89E-279,0,0,0,0,1.788089992,5.953072815,1.075036198,7.468384642,1.547694228,1.483295947,1.865438566,2.041602081,3.864927582,0.297734114,2.530708134,1.025183536,1.049627932,0.112315832,0.494626174,2.836845821,1.335748186,0.30580536,0.58371926,0.004888201,0.296637836,1.53E-13,1.57E-47,3.11E-103,1.19E-180,8.75E-280,0,0,0,0,5.405000361,6.285574082,5.16383164,28.31599313,13.66247707,1.866733875,7.317787626,11.72206996,12.88728818,1.873546499,5.194510979,4.923928242,5.893576783,0.981588251,4.197583071,8.721941853,6.259882879,0.442877753,5.327555797,0.014887835,2.713662731,1.40E-12,1.43E-46,2.84E-102,1.09E-179,8.00E-279,0,0,0,0,2.836919372,6.278774352,3.269924049,19.21832789,5.784411232,1.970557574,4.618936225,7.10258479,13.68767251,0.560511776,3.781850164,6.083067941,7.010534328,0.26073907,1.877471901,4.367467845,2.189260674,0.474343939,1.35076828,0.009047112,0.686919293,3.54E-13,3.63E-47,7.19E-103,2.75E-180,2.03E-279,0,0,0,0,11.87177934,0.812705515,0.446274473,0.904119788,0.061893261,0.568696436,0.529058771,0.538444491,13.13075933,15.30902234,32.74555407,0.856179682,1.636199698,9.213731445,0.569241033,0.081101428,0.934069588,0.057708513,0.343116477,0.257282584,0.017782542,9.864073907,6.038247049,16.32768449,0.901104381,0.618181603,10.61117351,0.594813077,0.228378418,0.92800724,0.052019773,0.454475143,0.283374477,0.141009043,11.43436501,8.870870255,21.74668327,0.89201086,0.878858663,11.61893406,0.821062531,0.425105011,0.903135818,0.063820913,0.544804202,0.540071396,0.48857281,12.8651016,14.82817629,31.74872503,0.854703727,1.573448408,11.21279975,0.628340433,0.30183686,0.92339792,0.051745172,0.507328449,0.316266159,0.246309632,12.14297704,10.61954802,24.88910321,0.885096881,1.06990424,11.97464876,0.846861061,0.471148428,0.900846808,0.063708932,0.57859677,0.574467513,0.600139675,13.29265825,16.18169795,34.25220822,0.851270213,1.753203958,11.67023965,0.832925123,0.428294123,0.902468913,0.064410762,0.549669023,0.55575948,0.495930795,12.93145889,15.07546779,32.17013221,0.853703369,1.601359299 +UMLMON0234,L,"Hexanoic acid, ethyl ester",CCCCCC(=O)OCC,31265,Co optima database valuese measured by NREL,Sandia,,C8H16O2,PubChem,,74.7,0,-0.5943,0.35319249,28.1502,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1500.364299,1093.539141,892.809884,658.269575,471.635182,127.119888,9.144576,3346.887898,3979.09551,4674.696811,4229.393957,3468.224171,2735.992706,1994.669063,1120.963057,279.7536999,152.568096,145.6753,259.36554,290.811108,225.629696,202.915748,133.768576,111.43008,60.466176,23.35516286,28.53615172,35.91568508,33.79709197,28.20421271,22.72114496,16.77380788,10.95324725,4.001516144,3350.680532,2804.677982,5510.452524,6441.739092,4987.659569,4623.723082,2984.992532,2583.794029,1664.258868,90.77777778,54.58333333,100,94.58333333,74.33333333,65.16666667,51.5,39,9,69.4856748,68.35965826,44.12836174,28.77734582,29.76032947,24.38035463,26.20195456,8.4746592,1.016064,167.3443949,209.4260795,137.4910827,111.299841,115.6074724,101.3330632,110.8149479,74.73087045,31.08374443,7.6284048,7.667121053,7.628398235,7.652923895,7.520989867,7.515398074,7.431587556,7.428672,6.718464,1.167758143,1.501902722,1.056343679,0.889397157,0.940140424,0.841523887,0.931878216,0.730216483,0.444612905,167.5340266,147.6146306,162.0721331,169.5194498,166.255319,171.2490031,165.8329184,172.2529352,184.917652,4.538888889,2.872807018,2.941176471,2.489035088,2.477777778,2.413580247,2.861111111,2.6,1,0.263471322,-0.1595639,0.081759253,-0.050728747,-0.003630118,-0.00962487,0.021262404,-0.018112694,0.006903012,715.056216,-13.739645,42.068427,-154.431627,-119.176036,-36.355609,-96.096818,-187.1568,207.36,931.2646053,-148.2416011,-210.4695091,25.37537669,-155.2107675,107.2342175,-152.1352724,-196.0622248,263.877478,1.9334688,0.00145024,0.75963024,-0.78358752,-0.3222448,-0.41465248,-0.13838432,-0.2779776,0.20903184,4.097118945,-1.072153629,-1.377869305,0.629194129,-0.682853157,0.777756017,-0.675710977,-0.537017433,0.890094883,23.01673804,-6.548761719,-7.89227958,3.964362048,-3.836123006,4.554831377,-3.721214278,-2.432661993,4.403478133,37.42222222,-0.895555556,14.03222222,-11.47444444,-5.7,-6.536666667,-2.563333333,-9.183333333,3.61,0.013173566,-0.0083981,0.002404684,-0.001334967,-1.21E-04,-3.56E-04,0.001181245,-0.001207513,7.67E-04,35.7528108,-0.723139211,1.237306676,-4.063990184,-3.972534533,-1.346504037,-5.338712111,-12.47712,23.04,46.56323026,-7.80218953,-6.190279679,0.667773071,-5.173692252,3.971637685,-8.451959578,-13.07081499,29.31971978,0.09667344,7.63E-05,0.022342066,-0.020620724,-0.010741493,-0.015357499,-0.007688018,-0.01853184,0.02322576,0.204855947,-0.056429138,-0.040525568,0.01655774,-0.022761772,0.028805778,-0.037539499,-0.035801162,0.098899431,1.150836902,-0.344671669,-0.23212587,0.104325317,-0.127870767,0.168697458,-0.206734127,-0.162177466,0.489275348,1.871111111,-0.047134503,0.412712418,-0.301959064,-0.19,-0.242098765,-0.142407407,-0.612222222,0.401111111,-0.637496327,0.182538569,-0.1013368,-0.009185359,-0.027059998,0.089667799,-0.091661814,0.058222759,-0.02022608,0.034607256,-0.11366911,-0.111111111,-0.037661488,-0.149322864,-0.348982911,0.644424857,-0.167561174,-0.132943519,0.01434121,-0.111111111,0.085295579,-0.181515748,-0.280711087,0.629675382,7.90E-04,0.231108626,-0.213302891,-0.111111111,-0.158859551,-0.079525646,-0.191695258,0.240249649,-0.275457653,-0.197824707,0.080826261,-0.111111111,0.140614802,-0.183248274,-0.174762621,0.482775496,-0.299496539,-0.201701796,0.090651696,-0.111111111,0.146586765,-0.179638076,-0.140921329,0.425147427,-0.025190649,0.22057077,-0.161379547,-0.101543943,-0.129387701,-0.076108472,-0.32719715,0.214370546,1.614770191,0.88688163,1.215119583,0.971888758,1.073202003,0.817645177,0.673700192,0.003845996,1.04922138,0.951186959,1.105288984,1.055555556,0.977734979,1.058345506,1.240515037,0,1.505949528,1.1618184,0.862503782,1.055555556,0.766062269,1.134803606,1.088878456,0,0.713221749,0.738250888,1.413593537,1.055555556,1.206469334,0.892577113,1.154931696,0,1.749688453,1.254801494,0.776384745,1.055555556,0.677559111,1.138918354,0.941917017,0,1.787392882,1.264308948,0.773970285,1.055555556,0.670008885,1.130344134,0.902603949,0,0.583432304,0.465617141,1.193586698,1.046466746,1.175277118,1.425611144,1.929334917,0,34.50014801,17.500074,27.93741811,34.87514801,4.359393501,17.5000741,0.5,0.18607285,0.023259106,-1.345293613,41.62163315,5.202704143,2.982896048,34.51364406,17.50608761,27.94750404,34.88754243,4.360942803,17.5060877,0.498531158,0.185850434,0.023231304,-1.346250439,41.74045697,5.217557121,2.98517668,46.52825888,22.86513496,37.3041145,45.92976716,5.741220895,22.86513496,-0.797988956,0.044440943,0.005555118,-2.490875276,27.85083888,3.48135486,2.66149047,34.5278086,17.5123991,27.95809097,34.9005508,4.362568849,17.51239919,0.4969896,0.18561719,0.023202149,-1.347255077,41.86680104,5.23335013,2.98759454,59.33203958,28.58372553,47.69962126,57.70859819,7.213574773,28.58372553,-2.164588529,0.031846802,0.00398085,-2.75745465,26.55665637,3.319582047,2.623424342,35.91442872,18.13034855,29.00125913,36.17413,4.52176625,18.13034859,0.346268372,0.163702022,0.020462753,-1.447765953,94.39914485,11.79989311,3.638025611,33.51626502,17.03992162,27.81795691,34.10316978,4.262896222,17.03992181,1.173809524,0.329501074,0.041187634,-0.888140533,26.038756,3.2548445,2.607668835,0,11.89,15.99591765,-0.31586015,0.301592178,3.682449468,6.502824698,7,19,18,18,6,1,1,0,0,1,15.992484,3.500630443,3.250120499,2.714895856,2.141477353,1.917060997,1.332129405,0.948258328,0.083923071,1.821305047,1.569929961,1.371148277,0.906015277,0.595941221,0.456559797,0.083923071,0.083923071,3.417552268,3.192262627,2.725476731,2.092255199,1.868778465,1.379458315,0.603774058,0.270913902,1.780485008,1.574600976,1.289549175,0.829987484,0.601206544,0.419560757,0.270913902,0.270913902,3.602695513,3.393823465,2.963492019,2.454301051,2.244300135,1.840352289,1.22636372,0.943918427,1.563920922,1.317994844,0.980116579,0.409179076,0.172888313,0.099689239,0.943918427,0.943918427,3.421095,3.17469022,2.75326062,2.103666874,1.879646004,1.450770231,0.459589502,0.399277246,1.766306475,1.572972777,1.236896556,0.790655613,0.592160761,0.326861,0.399277246,0.399277246,3.637317587,3.430233647,3.056783369,2.550498221,2.34400438,2.023192543,1.208936353,1.207644823,1.513561485,1.284205674,0.888020188,0.303971082,0.086507277,0.282295867,1.207644823,1.207644823,4.861486978,3.463495406,3.097686348,2.797756057,2.362714722,1.756646356,1.451447193,0.590163934,1.683714577,1.233045469,1.095116549,0.567908076,0.202127915,0.13822051,0.590163934,0.590163934,0,0,1,0,0,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.083333333,0,0,0,0.288675135,0.204124145,0.144337567,0.058925565,0.041666667,0.029462783,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,5.437816924,2.904030206,1.693596727,0.803216163,0.36023509,0.17380035,0.101631566,0,0.679727116,0.414861458,0.24194239,0.160643233,0.090058773,0.05793345,0.050815783,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.3496,31.541,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.73967971,-0.181990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.51231576,0.5125,0,0,0,0,0,0,0,0,0,0,3.485273998,0,2.623703704,0,0,0,0,0,0,-0.181990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.09634637,4.643333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.643333333,-0.181990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272454649,0.5125,0,0,0,0,0,0,0,0,0,0,1.42625,0,0.575231481,0,0,0,0,0,0,-0.181990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.09634637,4.643333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.09634637,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,2.059023998,0,1.076666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.09634637,4.643333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.66666667,2.583333333,0.644975907,10.09634637,0.265555556,-0.181990741,2.795924247,1.848657407,3.096346372,8.597407407,1.848657407,3.096346372,8.597407407,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.36364,0.13636,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,5.67104,0.70888,8.40872,2.73768,0.34221,2.65409,0.33176,3.77005,1.11596,0.1395,0.14395,0.01799,0.14395,0.01799,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,2.070950594,3.346439345,3.546439345,3.546439345,3.33034294,25.90923688,41.41901189,66.92878689,70.92878689,70.92878689,66.6068588,0.299741647,0.479172848,0.774293156,0.820568799,0.820568799,0.770568799,3.026466251,2.2509775,0.97548875,0.77548875,0.77548875,0.991585155,0.299741647,0.479172848,0.774293156,0.820568799,0.820568799,0.770568799,12.01211119,21.71746765,24.10215464,24.30371965,24.30371965,21.71056279,29.38046565,17.93632218,16.22221018,15.69343894,15.69343894,14.39686051,8,5.142857143,7.2,8,3,4,1.9,1.0284,0.166666667,2.249576847,0.894427191,0,2.381101578,1.040041912,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,3.358,7,5,4,3,2,0,0,0,0,36,2.197224577,2.302585093,1.945910149,1.791759469,1.609437912,1.386294361,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,26.3,127.2763612,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,116.0837296,5.804186481,14.66595917,1.833244896,5.216499833,5.216499833,0,79,5,1.591,28,1.230631579,2.107918638,2.853134227,3.653882031,4.795544934,5.791635925,6.965917857,7.802462487,0,0,94.58963281,102.4202046,93.08542556,129.2091942,130.5922439,168.5364061,60.43670856,7.927801245,0,0,279.0386343,309.1169811,342.8944298,473.8583665,524.7238099,693.1158109,534.6753242,242.5297499,0,0,9.500427541,16.20331326,21.89434951,27.60499927,36.18808614,42.9893138,51.67451113,52.42056333,0,0,1.953218228,2.32659121,2.676717754,3.746180655,4.266250977,5.749000252,5.217158362,3.469075511,0,0,180.0610686,338.5646481,480.5209183,596.6441771,815.1385625,947.475228,1193.44104,1442.813043,0,0,3.636017544,6.534565569,7.21519877,9.181540495,11.75277701,16.64968367,17.97858853,7.802462487,0,0,0.448387105,0.565067128,0.656599323,0.896429878,1.031118231,1.349466149,1.261537936,0.798972159,0,0,368.5735154,269.1589328,13.11073224,178.9509508,-130.6828758,-20.90325156,189.6225647,399.8418086,34.01398381,0.673163554,0.491592521,0.023945473,0.326836446,-0.238679518,-0.038177749,201.8030173,147.371101,7.178446674,97.9800238,-71.55207181,-11.44504165,0.35372805,0.432473349,3.203789809,3.76880309,490.5942831,56.9301831,0.896022577,0.103977423,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,950.3028124,30.82698189,9.831520102,2.061351231,2.061351231,726.0954081,669.3967886,73.42801577,1.084701063,9.888533695,9.116367664,4.221732772,4.466158665,8.529789551,0.90987159,3.360032699,4.293028381,3.358213502,13.95267678,5.337512191,1.4668465,4.780520974,6.791104618,1.499396077,2.959560315,2.860596092,1.474822786,1.556683321,3.682205535,0.042739644,1.946808283,5.00E-10,2.63E-41,2.68E-94,5.24E-169,1.98E-265,0,0,0,0,0,0,0,0,0,0.298491782,4.443993512,0.305851083,5.050066213,0.242949038,1.325449919,1.705210947,0.489461561,0.256847795,0.230835515,2.014191352,0.105201593,0.225186518,0.02601786,0.003584233,0.01371153,3.52E-12,1.85E-43,1.88E-96,3.69E-171,1.40E-267,0,0,0,0,0,0,0,0,0,0.91615042,4.162911006,0.702620295,4.782310664,0.630424497,1.33322088,1.558605959,1.221075909,0.300435373,0.469342688,2.181740782,0.290747713,0.340402237,0.270466581,0.011572061,0.142884713,3.67E-11,1.93E-42,1.96E-95,3.85E-170,1.45E-266,0,0,0,0,0,0,0,0,0,3.176711882,4.44359216,3.657124959,14.11479787,5.465591539,1.466449582,5.499890736,6.669290253,1.451348308,3.347041315,2.807310324,1.471983848,1.461770294,3.280835917,0.040340941,1.734571131,4.45E-10,2.35E-41,2.38E-94,4.67E-169,1.77E-265,0,0,0,0,0,0,0,0,0,1.342655413,4.056109269,0.901783862,5.162670851,0.920066577,1.343459173,1.538245683,1.771328398,0.390809739,0.558472177,2.298327498,0.4177826,0.455337269,0.587284735,0.017056828,0.310364691,7.97E-11,4.20E-42,4.27E-95,8.36E-170,3.16E-266,0,0,0,0,0,0,0,0,0,4.057749124,4.38850086,4.574267035,18.32275477,7.781645779,1.525635399,6.34198771,9.287309528,2.04425206,4.294955111,3.060892419,1.971950235,2.137275882,5.369880395,0.05162282,2.839236917,7.29E-10,3.84E-41,3.90E-94,7.65E-169,2.89E-265,0,0,0,0,0,0,0,0,0,2.093644735,4.477232829,2.900511373,16.02163727,3.696245843,1.377734061,7.035654087,5.519217841,1.160750809,2.729436661,2.661059819,1.348778181,1.058098963,1.282864034,0.029760058,0.678060611,1.74E-10,9.17E-42,9.32E-95,1.83E-169,6.90E-266,0,0,0,0,0,0,0,0,0,7.373998833,0.81450762,0.414987615,0.857093499,0.094671724,0.567195166,0.484713935,0.499981437,8.603494067,9.404307002,20.50029065,0.785640248,1.551890538,6.001986767,0.580757656,0.072022644,0.901907866,0.087269419,0.384761524,0.225879396,0.015059888,6.654767067,3.959806425,10.86562281,0.8528618,0.625700807,6.672986432,0.613460714,0.210524282,0.890090952,0.081827805,0.466313652,0.27735114,0.128673169,7.496971428,5.627589072,13.98636586,0.835136427,0.872337961,7.237144103,0.826795896,0.391942828,0.855870907,0.097777596,0.547041793,0.502979387,0.445994038,8.455882827,9.144244493,19.94537251,0.78380636,1.496015218,6.99501676,0.63818221,0.281990891,0.883745922,0.08062753,0.510685567,0.298771665,0.230862698,7.91518986,6.616587827,15.79061188,0.825618883,1.04031993,7.43323504,0.847294052,0.437491478,0.852628757,0.097188811,0.576332855,0.524427695,0.555677491,8.718020569,9.920796747,21.39419807,0.778943135,1.656438041,7.313177127,0.840097406,0.395511045,0.855463862,0.098270965,0.558779481,0.519745651,0.454151592,8.548785578,9.368491264,20.34721014,0.783195793,1.532676724 +UMLMON0235,L,Butyl acetate,CCCCOC(=O)C,31272,MON from [11],"Sandia, UML","[9], [11]",C6H12O2,PubChem,,100.2,0,0.2153,0.04635409,33.6077,23.259102,0,0,23,9,14,0,7,0,2,0,0,0,0,0,0,0,1536.009745,1467.311804,1815.138845,1356.842014,1142.591153,844.903968,816.150476,245.0952,18.289152,3832.572288,4632.085644,5813.371337,5738.109533,4666.711802,3477.31635,2868.375069,1962.172413,559.5073998,173.54554,167.45108,302.118764,356.091016,349.120604,272.06292,156.107072,162.393984,120.932352,27.03328867,33.55214034,44.60979951,46.83220926,40.35647404,28.66848204,22.59436852,17.90497835,8.003032287,3847.310193,3237.717434,6440.121636,7729.923621,8125.360835,6262.453633,3386.191035,3503.329189,3328.517736,96.30555556,61,110.4166667,113.6666667,99.05555556,81.83333333,65,69,18,66.78303239,66.69599109,45.37847112,28.86897902,23.80398235,23.46955467,38.86430838,11.6712,1.016064,166.6335777,210.5493475,145.3342834,122.0874369,97.22316254,96.59212084,136.589289,93.43678159,31.08374443,7.545458261,7.611412727,7.5529691,7.576404596,7.273345917,7.557303333,7.433670095,7.733046857,6.718464,1.175360377,1.525097288,1.115244988,0.996429984,0.840759876,0.796346723,1.07592231,0.852618017,0.444612905,167.2743562,147.1689743,161.0030409,164.46646,169.2783507,173.9570454,161.2471921,166.8251995,184.917652,4.187198068,2.772727273,2.760416667,2.418439716,2.063657407,2.273148148,3.095238095,3.285714286,1,0.267223832,-0.160350649,0.086617972,-0.07158892,0.028090694,-0.047443905,0.060777726,-0.043679404,0.01396457,799.1117029,-15.00476101,115.5881665,-452.8744297,128.8793721,14.1804749,-1.71034462,-578.2051731,389.5908434,1081.795272,-149.5950004,-66.47700414,-457.8567881,16.62349154,360.6377998,-105.9878193,-655.5397312,517.2974161,1.975925913,0.013204083,0.812761369,-0.810222866,0.066746442,-0.67692369,-0.005039138,-0.737355834,0.348866677,4.769103567,-1.066326256,-0.682196631,-1.267374646,-0.645870812,2.253249883,-0.822703413,-1.963056398,1.80972649,26.67799994,-6.490143964,-4.002168585,-5.854120824,-4.766507204,13.04471227,-5.09057928,-9.251533227,9.07134085,38.38164251,-1.558286074,15.69376181,-13.94533711,0.411258139,-8.68068683,3.626181474,-20.93903592,6.201323251,0.011618427,-0.007288666,0.002165449,-0.001523169,5.85E-04,-0.001317886,0.002894177,-0.002079972,7.76E-04,34.74398708,-0.682034591,2.889704163,-9.635626164,2.68498692,0.393902081,-0.081444982,-27.53357967,21.64393574,47.03457702,-6.799772747,-1.661925103,-9.74163379,0.34632274,10.01771666,-5.047039016,-31.21617768,28.73874534,0.085909822,6.00E-04,0.020319034,-0.017238784,0.001390551,-0.018803436,-2.40E-04,-0.035112183,0.019381482,0.207352329,-0.048469375,-0.017054916,-0.026965418,-0.013455642,0.062590275,-0.039176353,-0.093478876,0.100540361,1.159913041,-0.295006544,-0.100054215,-0.124555762,-0.099302233,0.362353119,-0.242408537,-0.440549201,0.503963381,1.668767066,-0.070831185,0.392344045,-0.2967093,0.008567878,-0.24113019,0.172675308,-0.997096948,0.344517958,-0.627336693,0.186380585,-0.131099369,0.050370223,-0.113430691,0.249102338,-0.179023506,0.066774049,-0.019630291,0.083171346,-0.277332194,0.077279183,0.011337273,-0.002344146,-0.792470352,0.622954864,-0.144569659,-0.035334114,-0.207116432,0.007363152,0.212986218,-0.107304867,-0.663685732,0.611013156,0.006986228,0.236515845,-0.20066139,0.016186169,-0.218874109,-0.002793149,-0.408709756,0.225602632,-0.233753706,-0.0822509,-0.130046371,-0.064892649,0.301854697,-0.188936161,-0.450821443,0.484876929,-0.254335052,-0.0862601,-0.107383707,-0.085611792,0.312396797,-0.208988544,-0.379812267,0.434483761,-0.04244522,0.235110132,-0.177801508,0.005134256,-0.144496014,0.103474782,-0.597505169,0.206450598,1.616503774,0.865191685,1.191426999,0.671543722,1.376530495,1.047810735,1.093519896,0.004168938,1.090358552,0.921021686,1.280474632,0.797246519,0.971271156,0.961733539,1.8361399,0,1.504503624,1.098818674,1.182149628,0.885668815,0.579815593,1.163841646,1.550523893,0,0.709899086,0.71758318,1.323019671,0.726042067,1.544769907,0.798980506,1.8693639,0,1.714180848,1.17704081,1.118315613,0.933384724,0.44453025,1.272906581,1.338521962,0,1.747015013,1.186280531,1.104733948,0.941609089,0.439395449,1.291705128,1.288127277,0,0.611548143,0.444421806,1.145365076,0.731415198,1.158101706,1.228265756,3.111606581,0,42.62129875,21.56064937,34.1586465,43.01018764,4.778909737,21.56064938,0.5,0.111382399,0.012375822,-1.975307367,35.81880674,3.979867415,3.220625775,42.63601283,21.56727199,34.16980779,43.02375928,4.780417698,21.56727199,0.498531158,0.111156753,0.01235075,-1.977132498,35.83882573,3.982091747,3.221128641,55.74614786,27.47407945,44.49970758,55.12548978,6.12505442,27.47407945,-0.797988956,0.038863666,0.004318185,-2.922925955,36.40266122,4.044740136,3.235177694,42.65145577,21.57422268,34.18152335,43.03800324,4.78200036,21.57422269,0.4969896,0.110920094,0.012324455,-1.97905069,35.85993398,3.984437109,3.221658564,69.73352074,33.78446611,55.98536987,68.04995188,7.561105765,33.78446611,-2.164588529,0.126762249,0.014084694,-1.858897801,31.13510988,3.459456653,3.094502506,44.16340824,22.25483831,35.33522176,44.43272809,4.936969787,22.25483831,0.346268372,0.088552544,0.009839172,-2.181743263,38.52385856,4.280428728,3.286149977,45.2760262,22.8898902,37.10904816,45.88373595,5.098192884,22.8898902,1.093877551,0.26609404,0.029566004,-1.19151495,33.27680116,3.697422351,3.154374443,0,11.89,15.99591816,-0.3158537,0.301597273,3.72174632,7.38678967,8,22,21,21,7,1,1,0,0,1,18.178898,3.530650577,3.333707545,2.783488641,2.333552793,2.130847927,1.835350489,1.064569886,0.910835892,1.871314501,1.580724241,1.395006124,1.249629723,0.815265191,0.464826884,0.378640716,0.083923071,3.491950749,3.230908333,2.787190145,2.405454588,2.060868288,1.778246958,1.112381665,0.603720609,1.825384061,1.597132889,1.31799191,1.134540686,0.768710368,0.549685472,0.222194328,0.270913902,3.644709023,3.444106903,3.011059426,2.704236987,2.431112963,2.159896592,1.595625026,1.226320415,1.632584438,1.340309875,1.022947278,0.76031856,0.345239105,0.113445065,0.322613111,0.943918427,3.50326518,3.203015583,2.811430509,2.457539916,2.057320163,1.798324199,1.196040825,0.45958949,1.803194982,1.607309773,1.26888176,1.058262671,0.75225958,0.524505911,0.115968674,0.399277246,3.687599931,3.464858569,3.097239637,2.838982085,2.512466843,2.269670165,1.797568285,1.208936353,1.582211441,1.314339889,0.937499198,0.631337262,0.259790044,0.009399352,0.521896405,1.207644823,4.821892696,3.51678269,3.151527531,2.790720358,2.631436576,2.288243538,1.573328223,1.268241441,1.762806111,1.272463564,1.137837674,0.881436576,0.487076206,5.95E-04,0.125042309,0.583333333,0,0,1,0,0,4,1,1,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.491581624,0,0,0,0.577350269,0.40824829,0.23570226,0.3476007,0.159517797,0.082981826,7.276020882,4.125897658,3.71859736,1.562948829,0.934347711,0.471404521,0.471404521,0,0.808446765,0.515737207,0.413177484,0.260491471,0.186869542,0.11785113,0.11785113,0,6.308060412,3.259872254,2.522565321,1.000526604,0.438356565,0.200832957,0.165963653,0,0.700895601,0.407484032,0.280285036,0.166754434,0.087671313,0.050208239,0.041490913,0,12.22239284,22.87618354,21.77647059,22.12,13.55036048,177.5068275,0.531408384,0.994616676,0.946803069,0.96173913,0.589146108,7.717688154,1.5956,36.088,24.78957267,39.15799293,49.57914534,5.508793927,24.78957267,1.11E-16,1.23E-17,-33.06312051,2000018.186,222224.2429,13.05780015,76,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,1,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.91676682,-0.184583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.784770408,0.5125,0,0,0,0,0,0,0,0,0,0,5.63226096,0,1.520416667,0,0,0,0.615138889,0,0,-0.184583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.20301682,4.71375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.71375,-0.184583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272454649,0.5125,0,0,0,0,0,0,0,0,0,0,1.43087963,0,0.5625,0,0,0,0.615138889,0,0,-0.184583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.20301682,4.71375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.20301682,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,2.100690665,0,0.957916667,0,0,0,0.615138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.20301682,4.71375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.5,2.5,0.619465703,10.20301682,0.225555556,-0.184583333,3.453437846,1.85125,3.203016818,9.236296296,1.85125,3.203016818,9.236296296,4.16666,0.46296,0,0.03704,0.52319,0.87037,0.42414,0.52319,0.87037,0.09905,0,-0.09905,0,0.53191,0.18238,0,0.44,0.24,0,6.25,0.69444,4.75,0.52778,1.5,0.16667,-3.25,-0.36111,0,0,7.40588,0.82288,10.3323,2.92642,0.32516,3.00992,0.33444,4.12588,1.11596,0.124,0.28812,0.03201,0.28812,0.03201,0,8.02,2,2,2,2,0,0,0.857142857,1.264672679,2.119085047,3.381620108,3.381620108,3.381620108,3.184943501,29.08747163,48.73895608,77.77726248,77.77726248,77.77726248,73.25370053,0.279574524,0.468454963,0.747556934,0.747556934,0.747556934,0.704078673,3.258889277,2.404476909,1.141941848,1.141941848,1.141941848,1.338618455,0.279574524,0.468454963,0.747556934,0.747556934,0.747556934,0.704078673,11.60803893,22.20837122,23.48078566,23.48078566,23.48078566,21.12066638,32.94327953,18.82721372,18.33036391,18.33036391,18.33036391,17.15030427,9,4.839506173,8,9,3,4,2.01,1.1693,0.721124785,2.182247272,2.683281573,0,1,2.149139864,0,0.25,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.426,0.519,0.065,3.629,9,6,5,4,4,0,0,0,0,45,2.302585093,2.48490665,2.079441542,1.945910149,1.791759469,1.945910149,0,0,0,0,3.988984047,1.177777778,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.5,7,0.875,0,3,6,1,2.5,0.666666667,0.375,0.16,0.222222222,0,0,0,0,0,0.3125,0.074074074,0.0625,0.032,0.055555556,0,0,0,0,0,0.53662963,24.78957267,39.15799293,49.57914534,5.508793927,24.78957267,1.11E-16,1.23E-17,-33.06312051,2000018.186,222224.2429,13.05780015,26.3,144.5723458,4.169925001,3.555348061,4.17438727,4.905274778,5.549076085,6.282266747,6.932447892,7.666221926,8.318010278,9.051930635,73.43496367,2.833213344,0,3.970291914,0,5.220355825,0,6.517671273,0,7.83873756,8.153061947,130.0993797,5.656494769,16.49829985,1.833144428,5.224562611,5.224562611,0,108,6,2.099,34,1.233227273,2.115064415,2.888658606,3.559872534,4.505590128,5.712427748,6.639569481,7.351865561,0,0,92.90307534,106.3885835,91.82326581,101.065275,122.8181982,234.2132803,76.64955627,7.469965929,0,0,281.9160909,330.5722651,373.0939796,382.4755409,483.728826,824.1255286,628.2431018,228.5235102,0,0,9.447098999,16.09015866,21.91701097,26.01648134,34.32741433,42.4377693,50.81572602,49.3932441,0,0,1.992608666,2.484626131,2.995523153,3.196844347,3.871555961,6.450798613,5.795396826,3.268734303,0,0,179.7781318,336.9320426,472.192301,595.7768929,775.7792093,911.4480788,1100.233885,1359.489718,0,0,3.503647727,6.154840516,7.047396301,7.525978747,10.67085523,17.61083754,20.69409362,7.351865561,0,0,0.450467386,0.585389512,0.706875481,0.760087784,0.949489644,1.497203951,1.404940718,0.752831033,0,0,388.8698402,302.7723751,13.23168269,147.9111318,-115.1629672,-18.75496579,240.9587085,417.9353423,31.98664848,0.724447886,0.564051989,0.024650059,0.275552114,-0.214543684,-0.034939699,208.7379308,162.5224498,7.102515496,79.39588108,-61.81728949,-10.06730876,0.33177405,0.405619087,3.004947784,3.534780749,479.8507889,56.9301831,0.893941503,0.106058497,648.0661598,25.45714359,8.653791915,783.6846649,27.99436845,9.219636166,1104.299863,33.23100756,10.33623416,1.931047351,1.931047351,848.413558,775.9603287,117.010026,1.093372337,7.250776596,6.631571287,4.533434213,4.466160583,8.529792325,0.909871391,3.917833806,5.241531868,3.968188939,17.33713481,5.487319365,4.854260337,5.618743237,7.338204229,3.021884163,3.640424959,4.584229577,2.153659605,2.313843894,3.941135033,0.790402357,1.946808285,5.00E-10,2.63E-41,2.68E-94,5.24E-169,1.98E-265,0,0,0,0,0,0,0,0,0,0.345304163,5.392468617,0.328144591,7.26019547,0.740501274,1.469816668,1.690450507,0.505666752,1.564708797,0.278732884,2.164901965,0.176871486,0.276360205,0.028016386,0.008850083,0.01371153,3.52E-12,1.85E-43,1.88E-96,3.69E-171,1.40E-267,0,0,0,0,0,0,0,0,0,1.067266495,5.111388086,0.793627845,7.452699065,1.110681923,1.818610563,1.62507561,1.277511007,1.485479724,0.630051611,2.571448611,0.429035258,0.513747789,0.2899198,0.066446274,0.142884714,3.67E-11,1.93E-42,1.96E-95,3.85E-170,1.45E-266,0,0,0,0,0,0,0,0,0,3.703230625,5.392092559,4.21299437,17.5053889,5.655680231,4.710889815,5.925678733,7.19536672,3.188868036,3.983357766,4.621015017,2.093373111,2.167950941,3.511657842,0.706494957,1.734571133,4.45E-10,2.35E-41,2.38E-94,4.67E-169,1.77E-265,0,0,0,0,0,0,0,0,0,1.565372702,5.004588839,1.055176961,8.083525793,1.372510767,2.115372542,1.776072555,1.86659743,1.500222675,0.801489382,2.821855464,0.618819995,0.719062964,0.629109427,0.136250951,0.310364691,7.97E-11,4.20E-42,4.27E-95,8.36E-170,3.16E-266,0,0,0,0,0,0,0,0,0,4.731374743,5.337017315,5.405156355,21.59591407,7.760743715,6.240998495,7.422624671,10.08048565,3.811207022,5.147345539,5.336981214,2.886512768,3.092002977,5.746934377,1.142018619,2.83923692,7.29E-10,3.84E-41,3.90E-94,7.65E-169,2.89E-265,0,0,0,0,0,0,0,0,0,2.456710395,5.04658818,3.039826038,19.17852389,4.012905403,3.215997613,6.472728496,5.671088178,3.941120726,3.088939976,4.551768787,1.644201782,1.494288693,1.342221876,0.283488161,0.662455597,1.70E-10,8.96E-42,9.11E-95,1.78E-169,6.75E-266,0,0,0,0,0,0,0,0,0,7.075492423,1.138053757,0.537981434,0.808486556,0.130040583,0.52911569,0.473179422,0.440885602,8.751527613,12.47102608,25.55453661,0.712729834,1.443180713,6.080755138,0.735783168,0.175359154,0.869685972,0.10523369,0.39793418,0.182438056,0.042416961,6.991897461,5.669459673,13.44593456,0.804528958,0.622789197,6.508817798,0.862521644,0.32041132,0.84620758,0.112135933,0.44913034,0.267218819,0.153757209,7.691750762,7.975856831,17.46639554,0.76931137,0.870106368,6.998232034,1.127033142,0.520251185,0.809463743,0.13036042,0.518128894,0.46148539,0.409191345,8.64551636,12.11441827,24.86328029,0.714195615,1.38880563,6.725749786,0.934599775,0.388719934,0.835593455,0.116112773,0.47830233,0.318442775,0.229855311,8.049069495,9.263614811,19.75613281,0.753390182,1.026600416,7.133769984,1.174235943,0.56392502,0.804083128,0.132354044,0.537862423,0.503712413,0.484353166,8.871930947,13.06182154,26.65759963,0.706124691,1.525928003,7.056318456,1.14074649,0.525322189,0.808989368,0.130783749,0.526903329,0.472158271,0.416606054,8.722387135,12.35557061,25.30652322,0.713484052,1.415667654 +UMLMON0236,L,3-Methylbutyl acetate,CC(C)CCOC(=O)C,31276,,"Sandia, UML",[11],C7H14O2,PubChem,,97.2,0,-0.038,0.001444,35.3026,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1190.529654,1013.078141,826.396372,643.778859,461.161346,278.543833,84.835296,3885.475125,4800.404174,5835.09088,5418.88368,4464.654462,3634.760223,2804.865983,1974.971743,1061.424631,167.819552,166.665724,297.486168,362.252084,293.047888,250.717548,208.387208,166.056868,123.32736,29.42500648,37.33900896,50.13168111,49.55779744,40.76058708,33.74182834,26.7230696,19.70431086,12.01662072,3973.037281,3337.521256,6591.128897,8625.609131,6929.941219,5973.943916,5017.946613,4061.94931,3137.747111,41,48.5,72.25,79.25,64.75,54.25,43.5,34,24,48.76541633,52.3287937,28.34594414,19.48227194,19.6761041,17.88274608,15.37204487,11.60599304,4.713072,161.8947969,208.713225,138.9307352,104.2093015,106.3012967,100.9655617,93.49553276,82.29048929,58.96803508,6.992481333,7.246335826,7.083004,6.966386231,6.977330667,6.964376333,6.946240267,6.919036167,6.85152,1.226041937,1.623435172,1.193611455,0.953034566,0.970490169,0.93727301,0.890768987,0.821012953,0.66759004,165.54322,145.1096198,156.9316404,165.8770987,164.9986005,165.9428866,167.2648871,169.2478879,174.3192839,1.708333333,2.108695652,1.720238095,1.524038462,1.541666667,1.506944444,1.45,1.416666667,1.333333333,0.048042929,-0.004267344,-0.021216894,-0.001813525,-2.64E-04,6.86E-05,-0.001591007,0.001200155,-9.49E-04,645.6853813,-53.80711511,-242.132018,13.45177878,-40.35533633,-40.35533633,-40.35533633,-40.35533633,-2.74E-13,1200.679538,-100.0566282,-450.2548269,25.01415705,-75.04247115,-75.04247115,-75.04247115,-75.04247115,8.53E-14,0.126485333,-0.010540444,-0.047432,0.002635111,-0.007905333,-0.007905333,-0.007905333,-0.007905333,-1.09E-15,5.367596186,-0.447299682,-2.01284857,0.111824921,-0.335474762,-0.335474762,-0.335474762,-0.335474762,-4.47E-15,29.15686767,-2.429738973,-10.93382538,0.607434743,-1.822304229,-1.822304229,-1.822304229,-1.822304229,4.15E-14,3.5,-0.5625,-0.875,-0.125,-0.25,-0.125,-0.25,0.25,-0.375,0.002001789,-1.86E-04,-5.05E-04,-3.49E-05,-6.29E-06,1.90E-06,-5.30E-05,5.00E-05,-5.27E-05,26.90355756,-2.339439787,-5.765048048,0.258688053,-0.960841341,-1.120981565,-1.345177878,-1.681472347,-1.52E-14,50.0283141,-4.350288182,-10.72035302,0.481041482,-1.786725503,-2.084513087,-2.501415705,-3.126769631,4.74E-15,0.005270222,-4.58E-04,-0.001129333,5.07E-05,-1.88E-04,-2.20E-04,-2.64E-04,-3.29E-04,-6.03E-17,0.223649841,-0.019447812,-0.047924966,0.002150479,-0.007987494,-0.009318743,-0.011182492,-0.013978115,-2.48E-16,1.214869486,-0.105640825,-0.260329176,0.011681437,-0.043388196,-0.050619562,-0.060743474,-0.075929343,2.31E-15,0.145833333,-0.024456522,-0.020833333,-0.002403846,-0.005952381,-0.003472222,-0.008333333,0.010416667,-0.020833333,-0.092685449,-0.25235638,-0.017422159,-0.003144619,9.52E-04,-0.026493089,0.024980877,-0.0263425,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,-5.65E-16,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,9.47E-17,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,-1.14E-14,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,-1.11E-15,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,1.90E-15,-0.167701863,-0.142857143,-0.016483516,-0.040816327,-0.023809524,-0.057142857,0.071428571,-0.142857143,1.420179723,1.328515501,1.037280547,1.052505826,0.981226352,0.903692839,0.669706074,0.604795484,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.571428571,1.173469388,0.963598901,0.99744898,0.935515873,0.903571429,0.75297619,1.095238095,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,44.7670589,22.30019612,35.82675439,44.6420589,5.580257363,22.30019612,-0.166666667,0.158085531,0.019760691,-1.475695247,39.18655619,4.898319524,2.934666987,0,11.89,12.11011416,-0.160379096,0.061052222,5.128426353,7.339204103,7,23,22,22,6,1,1,0,0,1,17.491312,3.527490705,3.234110572,2.831210223,2.392754557,1.842618743,1.505597868,1.2138498,0.750244665,1.897571247,1.734535424,1.470969949,1.160038899,0.875561505,0.676142288,0.551222741,0.260450516,3.551173607,3.268388379,2.876716151,2.448828435,1.923404201,1.601924298,1.330322032,0.886687543,1.84104913,1.662807566,1.383217965,1.058030055,0.746913597,0.536249299,0.398519435,0.093346384,3.657561912,3.418589157,3.073950685,2.68992671,2.261475488,1.995116805,1.791984456,1.417565245,1.679235415,1.448403886,1.112541047,0.736584028,0.325018697,0.067363139,0.125331865,0.488991305,3.568742156,3.29362483,2.910129036,2.489924856,1.982138152,1.671367871,1.413421059,0.983429672,1.805433811,1.616809906,1.326202038,0.99118314,0.661328654,0.442472911,0.295320977,0.02019177,3.71068298,3.491190721,3.167537655,2.802732236,2.414061303,2.167815127,1.988672893,1.639106613,1.63025996,1.380651064,1.02454834,0.629922767,0.178847098,0.099571477,0.317320309,0.706696498,3.606424235,3.308759618,2.985936889,2.580127997,2.050735357,1.75082089,1.495311531,1.142058977,1.789206489,1.565224221,1.2412358,0.868080487,0.562276236,0.328787169,0.180828733,0.186892212,0,0,0,2,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.983127663,3.564043477,2.021881336,1.12671313,0.606493072,0.319035594,0.166666667,0.083333333,0.747890958,0.509149068,0.336980223,0.225342626,0.151623268,0.106345198,0.083333333,0.083333333,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,6,2,0,2,0,0,0,0,0,0,0,0,2,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.499166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.590069444,0,0,1.509930556,0.580555556,0,0.590069444,0,0,0,0,0,0,0,0,4.391102608,0,5.109730726,0,4.499166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.231805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,0.216944444,0.290277778,0,0.290694444,0,0,0,0,0,0,0,0,2.169092971,0,1.184240363,0,2.231805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.299375,0,0,0.290277778,0.290277778,0,0.299375,0,0,0,0,0,0,0,0,2.222009637,0,1.34375,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,1.75,0.299375,2.267361111,0.216944444,1.184240363,5.619613203,0.315759637,0.267361111,1.780538549,0.315759637,0.267361111,1.780538549,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.25,0,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,6.79509,0.84939,7.95768,1.16259,0.14532,3.37132,0.42142,3.91421,0.54289,0.06786,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,0.75,0.918295834,1.947338796,3.105388542,3.772055209,3.772055209,3.340199877,22.03910002,46.73613111,74.52932501,90.52932501,90.52932501,80.16479704,0.200284263,0.424722949,0.677298569,0.822701431,0.822701431,0.728511929,3.666666667,2.637623705,1.479573959,0.812907292,0.812907292,1.244762624,0.200284263,0.424722949,0.677298569,0.822701431,0.822701431,0.728511929,6.73287657,15.09808847,19.01324374,20.60114167,19.68512709,17.98813392,31.59900002,21.28780565,17.50651667,14.40739375,15.48446146,18.47455824,8,7,7.2,8,2,8,2.34,1.1928,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.706,6,5,4,3,2,1,0,0,0,36,2.197224577,2.197224577,2.197224577,2.079441542,1.945910149,1.609437912,1.098612289,0,0,0,3.951243719,1.416666667,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,144.287877,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,112.1252005,4.671883355,14.83110795,1.853888494,0,0,0,84,5,4.376,26,1.214920635,2.112404231,2.884742239,3.676866976,5.01746575,6.005543499,7.303293997,8.327159146,9.506096947,0,74.61675492,68.02049978,68.72107813,92.71888695,105.6661361,109.069422,95.32744937,42.17735682,9.658802889,0,279.367904,317.1796826,333.0085767,459.061398,554.84488,620.4900733,639.6473566,513.1418847,295.485088,0,8.839053936,15.01768323,20.15606564,25.84969642,35.06387521,41.89463221,50.65355464,57.15917949,63.86637012,0,2.1123171,2.667410529,2.936700792,4.015177443,5.005554481,5.74362561,6.25786612,5.735896834,4.226533378,0,174.0970102,327.4842554,474.4097392,592.0607325,823.7955398,991.0038557,1226.804067,1443.182411,1757.845127,0,2.651245969,3.760650156,4.55213924,6.09739328,7.842777454,9.08155148,10.64002601,11.36713365,9.506096947,0,0.437772206,0.563916119,0.627518268,0.855666723,1.072988399,1.236163992,1.35911612,1.271001588,0.973424327,0,405.0547038,194.8696617,11.29004593,117.114778,-56.34329624,-7.627567015,287.9399258,251.2129579,18.91761294,0.775715008,0.373192361,0.02162142,0.224284992,-0.107902316,-0.014607455,211.5072048,101.7549903,5.895317431,61.15376296,-29.4207498,-3.982882716,0.118262635,0.183312312,1.815650931,1.406641698,522.1694818,0,1,0,456.9799498,21.37708937,7.702511969,617.1657659,24.84282121,8.514005818,686.1998016,26.19541566,8.820303505,2.452589461,2.452589461,999.49038,974.2078176,44.25346463,1.025951919,22.58558484,22.01427223,4.432661147,5.92381409,10.5315901,0.777839402,6.515019369,5.890996823,3.038008702,24.21280959,10.96630274,1.555960889,5.228691562,6.388797856,14.8355679,0.064089306,2.53326658,9.058192074,1.879420409,10.61980721,0.001401986,3.641122373,2.883466,0.631595156,5.33E-04,0.905024362,2.96E-10,1.87E-41,2.27E-94,5.33E-169,2.41E-265,0,0,0,0,0,0.546768472,5.884859058,0.250631238,6.126069122,0.083842121,0.129046875,0.885776599,0.069729627,4.251601356,4.54E-04,0.109222904,0.659523855,0.052348348,2.294763434,9.89E-06,0.104894625,0.083263866,0.047402719,3.80E-06,0.006374161,2.08E-12,1.31E-43,1.60E-96,3.75E-171,1.70E-267,0,0,0,0,0,1.765015719,5.885269348,0.811919884,7.430740012,0.821835523,0.414382586,1.772016083,0.532444966,5.565343744,0.004710046,0.412503282,2.106885646,0.238423667,3.44881338,1.03E-04,0.464258147,0.371950238,0.156713524,3.92E-05,0.066423668,2.17E-11,1.37E-42,1.67E-95,3.91E-170,1.77E-266,0,0,0,0,0,6.149647326,5.890323004,2.86465246,22.2610335,9.775326628,1.466509155,4.962735791,5.709333869,13.88810096,0.057104094,2.317115421,8.449581017,1.70146029,9.917255899,0.001249157,3.296412135,2.6119609,0.592316525,4.75E-04,0.806360413,2.64E-10,1.66E-41,2.02E-94,4.75E-169,2.15E-265,0,0,0,0,0,2.601304262,5.885801172,1.199505667,9.035170247,1.768881827,0.61201671,2.380463574,1.095679886,6.718580803,0.01022486,0.677561595,3.179727647,0.421643827,4.402934134,2.24E-04,0.818570614,0.65412164,0.234701969,8.51E-05,0.144281082,4.72E-11,2.98E-42,3.62E-95,8.50E-170,3.84E-266,0,0,0,0,0,7.86782759,5.893830107,3.682951503,32.39824565,15.97177644,1.889541475,6.213503297,9.236789708,18.68369862,0.09346029,3.410505407,11.41884645,2.613387382,13.44005982,0.002044606,5.063018981,4.002359064,0.781017028,7.77E-04,1.319892976,4.32E-10,2.72E-41,3.31E-94,7.77E-169,3.52E-265,0,0,0,0,0,3.74219875,5.333738422,1.788230456,12.05215319,3.606967565,0.868030803,3.43414948,2.179976247,8.520121516,0.02093604,1.105868613,4.565772169,0.730520928,5.771527704,4.58E-04,1.352657749,1.206089895,0.388674146,1.74E-04,0.295518159,9.66E-11,6.10E-42,7.42E-95,1.74E-169,7.87E-266,0,0,0,0,0,10.32156383,0.809907847,0.392158473,0.895686836,0.070282353,0.584933054,0.63024929,0.499988211,11.52363015,12.72481647,27.52670147,0.843530254,1.715170554,8.610366457,0.309995012,0.084543184,0.956186299,0.03442513,0.407459648,0.093146539,0.023237733,9.004904652,3.423326409,12.65389125,0.934279449,0.52384392,9.28977863,0.508764041,0.206717992,0.928489416,0.050849654,0.474077419,0.250169643,0.138929065,10.00526066,6.751840385,17.73411339,0.892734124,0.863176127,10.27917887,0.797551949,0.384542785,0.896861834,0.069586677,0.580149013,0.611328927,0.480757307,11.4612736,12.45765606,27.0714803,0.845292752,1.672235246,9.592719306,0.597264873,0.261176333,0.917861638,0.057148187,0.505413841,0.344230371,0.221770715,10.45116051,8.390776974,20.33831967,0.876792457,1.071414927,10.45426565,0.84858504,0.416001159,0.892089582,0.072411961,0.600038825,0.691297222,0.562633566,11.71885185,13.57333242,28.98266925,0.838134373,1.853969613,10.29638983,0.797500934,0.384896279,0.896992844,0.069476063,0.582070674,0.610879879,0.481641593,11.47878704,12.48137778,27.12069463,0.845489265,1.674592146 +UMLMON0237,L,3-Octene,CCCCC=CCC,32935, (trans) reported,"Sandia, UML",[1],C8H16,PubChem,,68.1,0,0.7896,0.62346816,37.3004,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,2227.640869,2209.532819,1095.976731,242.57016,18.289152,0,0,4371.159516,5876.91121,9122.433659,10923.94039,8520.88664,3586.073911,559.5073998,0,0,188.796996,195.98202,384.660436,553.041164,687.95166,509.87232,120.932352,0,0,33.10313229,45.14389758,73.21490844,93.91353488,85.16504053,43.37993894,8.003032287,0,0,4469.666941,3897.355064,8339.687441,12194.46539,16510.92734,13391.89734,3328.517736,0,0,42.34027778,51.29166667,85.5,127.7083333,141.6666667,85.5,18,0,0,48.76541633,56.15943233,41.25260869,28.32734383,11.07047203,3.2342688,1.016064,0,0,161.8947969,217.6633782,168.9339566,140.0505179,86.06956202,47.81431882,31.08374443,0,0,6.992481333,7.258593333,7.123341407,7.090271333,6.949006667,6.7982976,6.718464,0,0,1.226041937,1.671996207,1.355831638,1.204019678,0.860252935,0.578399186,0.444612905,0,0,165.54322,144.3464838,154.4386563,156.3392998,166.7770439,178.5586312,184.917652,0,0,1.568158436,1.899691358,1.583333333,1.637286325,1.430976431,1.14,1,0,0,0.035363986,-0.005859675,0.007168135,-0.01698627,-0.029350485,0.016156117,0.011190186,0,0,726.396054,7.46E-13,121.066009,-524.6193723,-605.330045,403.5533633,242.132018,0,0,1350.764481,-5.26E-13,225.1274134,-975.5521249,-1125.637067,750.4247115,450.2548269,0,0,0.142296,2.03E-15,0.023716,-0.102769333,-0.11858,0.079053333,0.047432,0,0,6.038545709,1.64E-14,1.006424285,-4.361171901,-5.032121424,3.354747616,2.01284857,0,0,32.80147613,-2.00E-13,5.466912688,-23.68995498,-27.33456344,18.22304229,10.93382538,0,0,3.019032922,-1.505401235,1.225823045,-0.256115684,-2.779406722,1.035865341,0.769718793,0,0,0.001309777,-2.17E-04,1.33E-04,-2.18E-04,-2.96E-04,2.15E-04,6.22E-04,0,0,26.90355756,2.76E-14,2.24196313,-6.725889389,-6.114444899,5.380711511,13.45177878,0,0,50.0283141,-1.95E-14,4.169026175,-12.50707852,-11.37007139,10.00566282,25.01415705,0,0,0.005270222,7.54E-17,4.39E-04,-0.001317556,-0.001197778,0.001054044,0.002635111,0,0,0.223649841,6.07E-16,0.018637487,-0.05591246,-0.050829509,0.044729968,0.111824921,0,0,1.214869486,-7.40E-15,0.101239124,-0.303717372,-0.276106701,0.242973897,0.607434743,0,0,0.111816034,-0.055755601,0.022700427,-0.003283534,-0.028074815,0.013811538,0.042762155,0,0,-0.165696125,0.101347945,-0.166266966,-0.226351122,0.16446682,0.474643287,0,0,1.03E-15,0.083333333,-0.25,-0.227272727,0.2,0.5,0,0,-3.89E-16,0.083333333,-0.25,-0.227272727,0.2,0.5,0,0,1.43E-14,0.083333333,-0.25,-0.227272727,0.2,0.5,0,0,2.71E-15,0.083333333,-0.25,-0.227272727,0.2,0.5,0,0,-6.09E-15,0.083333333,-0.25,-0.227272727,0.2,0.5,0,0,-0.498636906,0.203015846,-0.029365506,-0.251080407,0.123520191,0.382433123,0,0,1.612652763,0.960408675,1.299633231,1.193671161,0.479828465,0.003574175,0,0,1.444444444,1.12345679,1.388888889,1.116161616,0.433333333,0,0,0,1.444444444,1.12345679,1.388888889,1.116161616,0.433333333,0,0,0,1.444444444,1.12345679,1.388888889,1.116161616,0.433333333,0,0,0,1.444444444,1.12345679,1.388888889,1.116161616,0.433333333,0,0,0,1.444444444,1.12345679,1.388888889,1.116161616,0.433333333,0,0,0,2.037825865,0.617992844,1.208383029,1.341702938,0.473661612,0,0,0,36.34301895,18.17150947,24.93295961,36.34301895,4.038113216,18.17150953,0,0.044351946,0.004927994,-2.804038819,86.45378718,9.605976353,4.013649017,36.34301895,18.17150947,24.93295961,36.34301895,4.038113216,18.17150953,0,0.044351946,0.004927994,-2.804038819,86.45378718,9.605976353,4.013649017,36.34301895,18.17150947,24.93295961,36.34301895,4.038113216,18.17150953,0,0.044351946,0.004927994,-2.804038819,86.45378718,9.605976353,4.013649017,36.34301895,18.17150947,24.93295961,36.34301895,4.038113216,18.17150953,0,0.044351946,0.004927994,-2.804038819,86.45378718,9.605976353,4.013649017,36.34301895,18.17150947,24.93295961,36.34301895,4.038113216,18.17150953,0,0.044351946,0.004927994,-2.804038819,86.45378718,9.605976353,4.013649017,36.34301895,18.17150947,24.93295961,36.34301895,4.038113216,18.17150953,0,0.044351946,0.004927994,-2.804038819,86.45378718,9.605976353,4.013649017,45.88190159,22.58796693,31.72075923,45.73572532,5.081747258,22.58796693,-0.263117284,0.045218209,0.005024245,-2.78662987,75.42193036,8.380214484,3.890788278,0,11.89,12.11013444,-0.156776338,0.065033754,6.469114312,9.701651016,9,27,27,27,9,0,0,0,0,0,19.677726,3.711447298,3.052869449,2.930023383,2.405760484,2.333552793,1.913534357,1.282853505,1.170581436,2.030296479,1.589381954,1.519580991,1.249629723,1.210816121,0.889971322,0.572023572,0.45753715,3.732019825,3.088666115,2.969855092,2.466038604,2.405454588,1.989484878,1.390398893,1.280230598,1.981699802,1.511435477,1.435211551,1.134540686,1.105820829,0.7670399,0.420940016,0.307815942,3.823976393,3.247764756,3.146315575,2.722299135,2.704236987,2.307290357,1.82814595,1.719826164,1.842640692,1.279701212,1.181573671,0.771381883,0.76031856,0.367161771,0.091955245,0.20068233,3.747253453,3.115154934,2.999308742,2.510048871,2.457539916,2.044670713,1.467937518,1.358793646,1.951103425,1.461509901,1.380916278,1.058262671,1.036749763,0.685534456,0.319169293,0.207001839,3.869694708,3.325690728,3.23222739,2.840713008,2.838982085,2.451190692,2.018767508,1.909275685,1.800437538,1.207277047,1.101527445,0.658944568,0.631337262,0.229531921,0.276880113,0.384918196,3.725044341,3.17310745,3.074546379,2.685036975,2.607620428,2.136712932,1.577486597,1.460057069,1.961826316,1.383591,1.291759842,0.899634438,0.833608404,0.55809956,0.170370215,0.069670566,0,0,0,0,0,3,4,1,1,0,0,0,0.072168784,0.216506351,0,0,0,0.072168784,0.216506351,1.254600961,0.204124145,0.49279928,0.144337567,1.254600961,0.204124145,0.49279928,0.144337567,2.425321265,2.309822465,2.25804577,2.425321265,2.309822465,2.25804577,6.905777394,4.127827085,4.135410682,3.042311382,1.668276095,1.133536487,0.433012702,0.144337567,0.767308599,0.458647454,0.318108514,0.217307956,0.139023008,0.094461374,0.072168784,0.072168784,6.905777394,4.127827085,4.135410682,3.042311382,1.668276095,1.133536487,0.433012702,0.144337567,0.767308599,0.458647454,0.318108514,0.217307956,0.139023008,0.094461374,0.072168784,0.072168784,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.2227,41.413,35.79806166,49.90847146,71.59612331,7.955124813,35.79806166,0.093105532,0.010345059,-2.136619513,75.49348075,8.388164528,3.891641674,61,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,4,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,7.187314815,0,5.808634259,0,0,0,0.950231481,0,0,0,0,0,0.637152778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.388055556,0,1.438657407,0,0,0,0.950231481,0,0,0,0,0,0.637152778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.39962963,0,1.462893519,0,0,0,0.950231481,0,0,0,0,0,0.637152778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.58333333,1.62037037,0.2,2.39962963,0,0.637152778,6.464632523,0.612847222,0.39962963,2.37462963,0.612847222,0.39962963,2.37462963,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.33333,0.11111,0.11111,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,10.80944,1.20105,10.80944,0,0,4.12782,0.45865,4.12782,0,0,0.28618,0.0318,0.37218,0.04135,0.222222222,9,0,0,0,0,0,0,1,0.918295834,1.50253426,2.661208798,3.411751854,3.203987392,2.857877097,24.79398752,40.56842503,71.85263755,92.11730005,86.50765958,77.16268161,0.193126721,0.315997857,0.559678604,0.717525252,0.673830325,0.601039897,3.836591668,3.252353242,2.093678704,1.343135648,1.55090011,1.897010406,0.193126721,0.315997857,0.559678604,0.717525252,0.673830325,0.601039897,6.73287657,13.74373769,18.4757476,19.23216368,17.08697511,15.57593633,35.54887502,25.26783891,21.04929168,18.82963103,22.11940826,25.44414755,7.111111111,2.319526627,1.469387755,0,0,0,2.45,1.2681,1.144714243,4.119534288,1.889881575,2.381101578,3.965406457,2.149139864,2.149139864,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.14,0.131,0.159,0.212,3.981,13,14,12,12,6,2,0,0,0,77,2.302585093,2.63905733,2.708050201,2.564949357,2.564949357,1.945910149,1.098612289,0,0,0,4.356708827,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,1,3,4,0.333333333,3,1.777777778,0.5625,0.333333333,0,0,0,0,0,0,0.333333333,0.136752137,0.051136364,0.111111111,0,0,0,0,0,0,0.632332945,18.17150947,24.93295961,36.34301895,4.038113216,18.17150953,0.044351946,0.004927994,-2.804038819,86.45378718,9.605976353,4.013649017,0,151.8638616,4.169925001,3.80666249,4.59511985,5.451038454,6.267200549,7.120444372,7.944137491,8.795884972,9.621853819,10.4729688,82.0753108,2.944438979,0,4.262679877,0,5.802118375,0,7.430707083,0,9.091444217,9.304923014,126.1408506,4.671883355,17.31156099,1.923506776,0,0,0,80,11,5.036,44,1.22699952,2.101080591,2.848562794,3.456054056,4.127444598,4.857500713,0,0,0,0,78.95148878,96.06200796,86.96855662,41.26867569,13.87628041,4.935531605,0,0,0,0,290.5400635,380.7086839,416.9893379,311.3717338,201.3259076,150.9893107,0,0,0,0,8.938429587,15.02089114,20.2384698,24.06911281,28.07856408,32.63494367,0,0,0,0,2.17886504,3.002778931,3.540238999,3.07418631,2.419096386,2.159707502,0,0,0,0,175.1121323,320.6542068,442.3589057,572.2651082,735.4800413,898.2376266,0,0,0,0,2.372999216,3.427579432,4.742450899,5.04325304,4.742716647,4.857500713,0,0,0,0,0.45089223,0.628028401,0.749573072,0.667582785,0.542775978,0.497408073,0,0,0,0,325.6144285,148.1607936,8.239328775,84.69121838,-38.53612441,-4.522001754,240.9232101,186.696918,12.76133053,0.793589927,0.361098597,0.020080954,0.206410073,-0.093920531,-0.011021057,133.6014387,60.79121026,3.380643122,34.74928514,-15.81158945,-1.855402855,0.066654205,0.136100182,0.731365655,0.975878122,410.3056469,0,1,0,620.8036052,24.91593075,8.530701456,795.1702547,28.19876335,9.264458536,1150.966986,33.92590435,10.47983123,1.175125278,1.079332776,386.9045022,275.5409418,237.6452243,1.404163387,1.628076068,1.159463409,3.825121105,3.779648656,5.906189605,0.562629266,5.087954442,7.385866866,8.625491389,11.90839281,21.69587874,15.57186315,12.41344492,9.320217525,11.66888358,0.095846533,0.820153404,9.06E-16,1.94E-52,8.02E-111,6.43E-191,9.97E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422404152,6.525784364,0.649057325,6.148106067,1.082029961,4.320590815,1.705473628,0.325344442,0.237733923,6.75E-04,0.005776407,6.38E-18,1.36E-54,5.65E-113,4.53E-193,7.02E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.365591183,6.583478644,2.09578435,6.72045797,3.957179811,6.298010658,2.868186813,1.35127431,1.256065554,0.007034593,0.06019462,6.65E-17,1.42E-53,5.89E-112,4.72E-192,7.32E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.799095388,7.291515828,8.072994748,11.34227318,19.96249239,14.77014427,11.39600282,8.482965815,10.50386991,0.085397535,0.730741917,8.07E-16,1.73E-52,7.15E-111,5.73E-191,8.88E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.015776707,6.65808108,3.142788377,7.292535048,6.326549493,7.750225874,3.970106416,2.296083061,2.345571901,0.015280077,0.130750757,1.44E-16,3.09E-53,1.28E-111,1.02E-191,1.59E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.161145337,7.782550559,10.74401508,14.24686836,28.64909168,18.6684841,16.59149417,12.74558748,16.51061228,0.13978316,1.19611666,1.32E-15,2.83E-52,1.17E-110,9.37E-191,1.45E-292,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.354360631,6.038125473,4.871391673,8.960467045,10.56009013,11.11613491,6.771506193,4.548684465,5.158207165,0.03650462,0.312367977,3.45E-16,7.38E-53,3.06E-111,2.45E-191,3.80E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.302854525,2.036148419,1.035614483,0.428468548,0.378845275,0.501644938,0.519172507,0.439700912,5.374617427,9.182487889,19.41305357,0.210970735,1.460518356,1.692089533,1.383939636,0.500954828,0.473049232,0.386901266,0.271516338,0.243563402,0.103890407,3.576983997,3.882701435,8.632796285,0.289925747,0.618970147,1.934620996,1.642716543,0.713608107,0.450861222,0.382833221,0.354601899,0.340958624,0.210003032,4.290945646,5.730850984,12.28966739,0.250541664,0.905563555,2.287729084,2.01997757,1.022406434,0.429208358,0.378974618,0.495111504,0.511140689,0.428658777,5.330113088,9.025388433,19.0802067,0.212274463,1.43491097,2.042745835,1.758181016,0.808260889,0.443189983,0.381451378,0.395173187,0.389519316,0.268941825,4.609187739,6.663657461,14.17572788,0.236962042,1.053634328,2.350209853,2.086781667,1.07695711,0.426229914,0.378455043,0.522372288,0.544708775,0.475154727,5.513948629,9.682824397,20.47857437,0.207027437,1.54223579,2.291877418,2.025785029,1.026688704,0.428841099,0.379051633,0.496831512,0.513686219,0.432026051,5.344351151,9.075746222,19.18686001,0.211839097,1.442543782 +UMLMON0238,L,"1,1,2-trimethylcyclohexane",CC1CCCCC1(C)C,35363,,UML,[1],C9H18,PubChem,,87.7,0,0.5874,0.34503876,40.2021,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,2106.57486,1900.854657,1316.937894,423.91944,45.72288,0,0,4371.159516,5876.91121,8897.306245,9971.768335,7912.680717,4532.318207,1398.768499,0,0,188.796996,195.98202,384.63672,550.598724,622.766616,396.124992,302.33088,0,0,33.10313229,45.14389758,72.20848416,87.88709788,76.15562038,47.41767195,20.00758072,0,0,4469.666941,3897.355064,8334.220529,12374.30219,15244.61046,9491.067723,8321.294341,0,0,42.08333333,51,85.08333333,120,120.5,85.5,45,0,0,48.76541633,56.15943233,39.01064556,24.3699315,14.63264327,7.437183158,1.016064,0,0,161.8947969,217.6633782,164.7649305,127.8431838,87.91867463,79.5143545,31.08374443,0,0,6.992481333,7.258593333,7.122902222,7.058958,6.919629067,6.949561263,6.718464,0,0,1.226041937,1.671996207,1.337194151,1.126757665,0.84617356,0.831888982,0.444612905,0,0,165.54322,144.3464838,154.3374172,158.6448998,169.3845607,166.5099601,184.917652,0,0,1.558641975,1.888888889,1.575617284,1.538461538,1.338888889,1.5,1,0,0,0.035786354,-0.00417112,2.84E-04,-0.0249755,0.014078598,-0.028802002,0.025692553,0,0,726.396054,6.32E-13,6.08E-13,-524.6193723,121.066009,-564.9747087,605.330045,0,0,1350.764481,-7.53E-13,-7.89E-13,-975.5521249,225.1274134,-1050.594596,1125.637067,0,0,0.142296,2.05E-15,2.03E-15,-0.102769333,0.023716,-0.110674667,0.11858,0,0,6.038545709,1.73E-14,1.67E-14,-4.361171901,1.006424285,-4.696646663,5.032121424,0,0,32.80147613,-1.98E-13,-1.97E-13,-23.68995498,5.466912688,-25.51225921,27.33456344,0,0,2.962962963,-1.361111111,0.824074074,-2.309670782,2.938271605,-3.440329218,1.867283951,0,0,0.001325421,-1.54E-04,5.26E-06,-3.20E-04,1.56E-04,-5.05E-04,5.71E-04,0,0,26.90355756,2.34E-14,1.13E-14,-6.725889389,1.345177878,-9.911836994,13.45177878,0,0,50.0283141,-2.79E-14,-1.46E-14,-12.50707852,2.501415705,-18.43148414,25.01415705,0,0,0.005270222,7.59E-17,3.76E-17,-0.001317556,2.64E-04,-0.001941661,0.002635111,0,0,0.223649841,6.39E-16,3.08E-16,-0.05591246,0.011182492,-0.08239731,0.111824921,0,0,1.214869486,-7.34E-15,-3.65E-15,-0.303717372,0.060743474,-0.447583495,0.607434743,0,0,0.109739369,-0.050411523,0.015260631,-0.029611164,0.032647462,-0.060356653,0.041495199,0,0,-0.116556164,0.003972103,-0.241582736,0.11802206,-0.381236192,0.430765641,0,0,8.71E-16,4.18E-16,-0.25,0.05,-0.368421053,0.5,0,0,-5.58E-16,-2.92E-16,-0.25,0.05,-0.368421053,0.5,0,0,1.44E-14,7.14E-15,-0.25,0.05,-0.368421053,0.5,0,0,2.86E-15,1.38E-15,-0.25,0.05,-0.368421053,0.5,0,0,-6.04E-15,-3.01E-15,-0.25,0.05,-0.368421053,0.5,0,0,-0.459375,0.1390625,-0.269831731,0.2975,-0.55,0.378125,0,0,1.56187452,1.079424157,1.334358095,0.717960682,1.434277694,0.002005827,0,0,1.444444444,1.203703704,1.333333333,0.794444444,1.254385965,0,0,0,1.444444444,1.203703704,1.333333333,0.794444444,1.254385965,0,0,0,1.444444444,1.203703704,1.333333333,0.794444444,1.254385965,0,0,0,1.444444444,1.203703704,1.333333333,0.794444444,1.254385965,0,0,0,1.444444444,1.203703704,1.333333333,0.794444444,1.254385965,0,0,0,2.004166667,0.677083333,1.2890625,0.495625,2.020559211,0,0,0,38.26044376,19.13022188,25.95864901,38.26044376,4.251160418,19.1302219,-3.55E-15,4.44E-16,4.93E-17,-31.81545559,34.85310704,3.872567448,3.196028059,38.26044376,19.13022188,25.95864901,38.26044376,4.251160418,19.1302219,-3.55E-15,4.44E-16,4.93E-17,-31.81545559,34.85310704,3.872567448,3.196028059,38.26044376,19.13022188,25.95864901,38.26044376,4.251160418,19.1302219,-3.55E-15,4.44E-16,4.93E-17,-31.81545559,34.85310704,3.872567448,3.196028059,38.26044376,19.13022188,25.95864901,38.26044376,4.251160418,19.1302219,-3.55E-15,4.44E-16,4.93E-17,-31.81545559,34.85310704,3.872567448,3.196028059,38.26044376,19.13022188,25.95864901,38.26044376,4.251160418,19.1302219,-3.55E-15,4.44E-16,4.93E-17,-31.81545559,34.85310704,3.872567448,3.196028059,38.26044376,19.13022188,25.95864901,38.26044376,4.251160418,19.1302219,-3.55E-15,4.44E-16,4.93E-17,-31.81545559,34.85310704,3.872567448,3.196028059,46.00039268,22.86825189,31.41254006,45.79514576,5.088349529,22.86825189,-0.263888889,4.16E-17,4.63E-18,-33.94586684,52.79007274,5.865563638,3.569690841,0,11.89,12.11013444,-0.163076251,0.057906057,6.149190559,8.445759162,9,27,27,27,9,0,0,0,0,0,19.677726,3.689470375,3.042364541,3.042364541,2.273238046,2.17548746,2.17548746,1.099508061,1.099508061,2.024811158,1.585950347,1.585950347,1.181314749,1.066605404,1.066605404,0.413035098,0.413035098,3.7117062,3.078435564,3.078435564,2.343939145,2.243749091,2.243749091,1.209688389,1.209688389,1.974747389,1.506815679,1.506815679,1.06671247,0.952794097,0.952794097,0.259521562,0.259521562,3.809929062,3.239284907,3.239284907,2.639128085,2.531187307,2.531187307,1.656579633,1.656579633,1.829652525,1.271648566,1.271648566,0.694731226,0.585704835,0.585704835,0.262056834,0.262056834,3.728106741,3.105160529,3.105160529,2.395246884,2.293440723,2.293440723,1.289020676,1.289020676,1.943074022,1.45612622,1.45612622,0.990793101,0.877571657,0.877571657,0.156092313,0.156092313,3.858127184,3.318282267,3.318282267,2.772801353,2.662420938,2.662420938,1.850629028,1.850629028,1.784957217,1.19828528,1.19828528,0.566929942,0.460560939,0.460560939,0.450448455,0.450448455,3.704786462,3.185821029,3.185821029,2.578933481,2.399668944,2.399668944,1.390915633,1.390915633,1.952763292,1.364912791,1.364912791,0.794465669,0.736786313,0.736786313,0.012637536,0.012637536,0,0,0,0,0,3,3,3,0,0,0,0,0.068041382,0.204124145,0,0,0,0.068041382,0.204124145,0.866025404,0,0,0,0.866025404,0,0,0,1,1.995781916,1.747400241,1,1.995781916,1.747400241,6.853371151,4.18154055,4.022621928,2.414213562,2.349335306,0.98559856,0.696923425,0,0.761485683,0.464615617,0.335218494,0.201184464,0.156622354,0.082133213,0.077435936,0,6.853371151,4.18154055,4.022621928,2.414213562,2.349335306,0.98559856,0.696923425,0,0.761485683,0.464615617,0.335218494,0.201184464,0.156622354,0.082133213,0.077435936,0,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.0786,41.343,36.23240609,46.59629277,72.46481219,8.051645799,36.23240609,0,0,0,50.96615924,5.662906583,3.538045681,63,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,7.143333333,0,4.387916667,0,0,0,2.96875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.381111111,0,1.462638889,0,0,0,0.989583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.381111111,0,1.462638889,0,0,0,0.989583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.5,1.611111111,0.2,2.381111111,0.2,0.989583333,6.462614583,0.34375,0.381111111,2.286666667,0.34375,0.381111111,2.286666667,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.33333,0.33333,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,10.39611,1.15512,10.39611,0,0,4.18152,0.46461,4.18152,0,0,0.23248,0.02583,0.31848,0.03539,0.222222222,9,0,0,0,0,0,0,1,0.918295834,1.446616668,2.419381946,2.419381946,2.197159723,1.657742727,24.79398752,39.05865003,65.32331253,65.32331253,59.32331253,44.75905362,0.193126721,0.304237833,0.508820018,0.508820018,0.462084481,0.348639737,3.836591668,3.308270835,2.335505557,2.335505557,2.557727779,3.097144776,0.193126721,0.304237833,0.508820018,0.508820018,0.462084481,0.348639737,6.73287657,13.07272657,14.05310377,14.05310377,11.3864371,10.84279915,35.54887502,26.03910002,27.72431251,27.72431251,32.40401252,31.82253257,7.111111111,2.722222222,2,0,0,0,2.45,1.2681,0.75,3.571652367,4.326748711,0,1.5,6.240251469,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.124,0.16,0.203,3.937,12,12,15,12,9,0,0,0,0,78,2.302585093,2.564949357,2.564949357,2.772588722,2.564949357,2.302585093,0,0,0,0,4.369447852,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,4,0.333333333,3,0.666666667,0.9375,0.333333333,0,0,0,0,0,0,0.333333333,0.055555556,0.104166667,0.055555556,0,0,0,0,0,0,0.548611111,19.13022188,25.95864901,38.26044376,4.251160418,19.1302219,4.44E-16,4.93E-17,-31.81545559,34.85310704,3.872567448,3.196028059,0,151.8638616,4.169925001,3.761200116,4.510859507,5.351858133,6.11146734,6.957497371,7.719129841,8.566173814,9.328212293,10.17545936,80.48185778,2.944438979,0,4.204692619,0,5.645446898,0,7.181591945,0,8.760766624,8.995660899,126.1408506,4.671883355,17.38171618,1.931301798,0,0,0,84,9,4.938,42,1.22699952,2.101632098,2.841588385,3.503542101,4.58830767,5.348672471,0,0,0,0,78.95148878,91.11853208,77.0715485,61.10802313,35.98987202,5.434593545,0,0,0,0,290.5400635,371.1494733,385.4775928,341.3238808,378.9088269,166.2567681,0,0,0,0,8.938429587,15.02121738,20.10839593,24.33959172,31.95387529,35.93486344,0,0,0,0,2.17886504,2.958422373,3.336845342,3.183635254,3.929493579,2.378088804,0,0,0,0,175.1121323,320.7290345,447.2347567,586.2066109,758.6501956,989.0639547,0,0,0,0,2.360702744,3.406986278,4.453028106,4.907141188,7.055726606,5.348672471,0,0,0,0,0.45089223,0.619801368,0.709050706,0.686731997,0.858509544,0.547704061,0,0,0,0,367.4029777,168.5193601,9.185806885,88.05622409,-40.38938015,-4.810885956,279.3467536,208.9087402,13.99669284,0.806664958,0.369998804,0.020168232,0.193335042,-0.088678371,-0.010562715,167.3370669,76.75369321,4.183760271,40.10601753,-18.39571484,-2.191162277,0.064635673,0.135832753,0.95658535,1.127743823,455.4592017,0,1,0,620.8036052,24.91593075,8.530701456,795.1702547,28.19876335,9.264458536,1095.429978,33.09728052,10.30848573,1.159838844,1.035728624,516.3722536,305.7649606,264.4442642,1.688788187,1.952669517,1.156254841,4.157250061,4.355922028,6.376268681,0.463816074,5.020831515,6.989125066,11.03149926,13.93961737,19.48407265,9.022004788,10.86371457,13.84026511,10.10070354,6.616510751,3.93343851,0.396370774,1.33E-17,1.44E-55,3.15E-115,1.33E-196,1.08E-299,0,0,0,0,0,0,0,0,0,0,0,0,0,0.4219314,6.522854967,0.714663267,5.964077264,1.013397184,1.824328855,1.980796572,1.501481797,1.110064211,0.259321937,0.02773075,0.002791672,9.35E-20,1.02E-57,2.22E-117,9.35E-199,7.60E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,1.36066474,6.554012914,2.404483684,7.082441976,3.661532199,2.94420045,2.863502822,3.135899692,2.204175095,1.032136643,0.288762067,0.029091372,9.75E-19,1.06E-56,2.31E-116,9.74E-198,7.92E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,4.739290068,6.937932996,10.25271967,13.2710763,17.95634097,8.457787723,9.990733331,12.77209621,9.288136926,6.041663193,3.50464164,0.353159224,1.18E-17,1.29E-55,2.81E-115,1.18E-196,9.62E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,2.005075814,6.594410054,3.688030961,8.001478956,5.812575602,3.816679761,3.74573375,4.5204109,3.175287022,1.718480542,0.627162812,0.063190348,2.12E-18,2.30E-56,5.02E-116,2.12E-197,1.72E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,6.063252857,7.204380626,14.08209306,16.61962322,25.59130526,11.251363,14.46972509,18.15037175,13.4069419,8.955721196,5.736461611,0.578069522,1.94E-17,2.11E-55,4.59E-115,1.94E-196,1.57E-299,0,0,0,0,0,0,0,0,0,0,0,0,0,3.331366715,5.935104618,5.954121677,10.21567009,9.871323279,5.540888424,6.086505801,7.931357035,6.156989728,3.615022364,1.515515808,0.152704079,5.12E-18,5.57E-56,1.21E-115,5.11E-197,4.16E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,3.02249741,2.619994856,0.664087011,0.479260987,0.415438345,0.477338762,0.467361363,0.441308362,6.306579278,11.66603349,23.23146978,0.342048998,1.386008487,2.210458359,1.883105246,0.213613682,0.513203477,0.437201703,0.254265581,0.241640223,0.046164196,4.307177287,5.036966925,10.23331666,0.42560777,0.54207,2.532840244,2.175641465,0.392793151,0.496511228,0.426489755,0.334416275,0.322378847,0.155481717,5.101274859,7.360011624,14.62579367,0.384501474,0.812276838,3.002381367,2.601739286,0.652959065,0.47983748,0.415807278,0.470963328,0.460873354,0.426772167,6.257079718,11.47067493,22.82828794,0.343467138,1.358608849,2.676599971,2.306096693,0.472540168,0.490647804,0.422730812,0.373725761,0.362146514,0.224581202,5.455236832,8.52702266,16.8990129,0.370067923,0.960453476,3.085478717,2.677151586,0.698918881,0.477513771,0.414320391,0.49757905,0.487969684,0.488349145,6.461549184,12.28790536,24.52273015,0.337751243,1.473897879,3.016374168,2.613257378,0.65434937,0.480010078,0.415860171,0.47531926,0.464914982,0.428278299,6.283980916,11.56630791,23.00823833,0.343805373,1.368512541 +UMLMON0239,L,"1,3,5-trimethylcyclohexane",CC1CC(CC(C1)C)C,35364, (cis) reported; [9] has RON of 63.8,UML,[1],C9H18,PubChem,,56.4,0,-0.1601,0.02563201,36.9387,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,2106.57486,2021.920666,1152.443044,424.085929,82.888848,6.096384,0,4371.159516,5876.91121,8897.306245,10196.89575,8047.995993,4126.61609,1257.525459,186.5024666,0,188.796996,195.98202,384.63672,550.62244,625.51336,471.98026,183.394368,40.310784,0,33.10313229,45.14389758,72.20848416,88.89352217,78.82529164,45.73227423,15.34920546,2.667677429,0,4469.666941,3897.355064,8334.220529,12379.7691,15011.11091,12097.08771,4833.801083,1109.505912,0,41.0625,50.125,84.5,119.125,125.75,83.5,30.5,6,0,48.76541633,56.15943233,39.01064556,25.92205982,12.80492271,6.146172884,3.069957333,1.016064,0,161.8947969,217.6633782,164.7649305,130.7294327,89.4221777,59.80603029,46.57501701,31.08374443,0,6.992481333,7.258593333,7.122902222,7.059262051,6.950148444,6.840293623,6.792384,6.718464,0,1.226041937,1.671996207,1.337194151,1.139660541,0.875836574,0.662786583,0.568489091,0.444612905,0,165.54322,144.3464838,154.3374172,158.7149885,166.7901212,175.3201118,179.0296697,184.917652,0,1.520833333,1.856481481,1.564814815,1.52724359,1.397222222,1.210144928,1.12962963,1,0,0.036042098,-0.004441259,1.89E-04,-0.014269875,-0.018109142,0.008136302,0.00681404,0.003660081,0,726.396054,6.32E-13,6.36E-13,-403.5533633,-403.5533633,201.7766817,161.4213453,80.71067267,0,1350.764481,-7.53E-13,-7.32E-13,-750.4247115,-750.4247115,375.2123557,300.1698846,150.0849423,0,0.142296,2.05E-15,2.05E-15,-0.079053333,-0.079053333,0.039526667,0.031621333,0.015810667,0,6.038545709,1.73E-14,1.69E-14,-3.354747616,-3.354747616,1.677373808,1.341899046,0.670949523,0,32.80147613,-1.98E-13,-1.99E-13,-18.22304229,-18.22304229,9.111521147,7.289216918,3.644608459,0,2.541666667,-0.9375,0.291666667,-0.12037037,-1.458333333,0.386574074,0.340277778,0.226851852,0,0.001334893,-1.64E-04,3.50E-06,-1.83E-04,-2.01E-04,1.18E-04,2.52E-04,6.10E-04,0,26.90355756,2.34E-14,1.18E-14,-5.173761068,-4.483926259,2.924299734,5.978568346,13.45177878,0,50.0283141,-2.79E-14,-1.36E-14,-9.620829634,-8.33805235,5.437860228,11.11740313,25.01415705,0,0.005270222,7.59E-17,3.79E-17,-0.001013504,-8.78E-04,5.73E-04,0.00117116,0.002635111,0,0.223649841,6.39E-16,3.13E-16,-0.043009585,-0.037274974,0.024309765,0.049699965,0.111824921,0,1.214869486,-7.34E-15,-3.68E-15,-0.233628747,-0.202478248,0.132051031,0.269970997,0.607434743,0,0.094135802,-0.034722222,0.005401235,-0.00154321,-0.016203704,0.005602523,0.012602881,0.037808642,0,-0.123224197,0.002619207,-0.137050069,-0.150733248,0.088334771,0.189057797,0.456975695,0,8.71E-16,4.38E-16,-0.192307692,-0.166666667,0.108695652,0.222222222,0.5,0,-5.58E-16,-2.71E-16,-0.192307692,-0.166666667,0.108695652,0.222222222,0.5,0,1.44E-14,7.19E-15,-0.192307692,-0.166666667,0.108695652,0.222222222,0.5,0,2.86E-15,1.40E-15,-0.192307692,-0.166666667,0.108695652,0.222222222,0.5,0,-6.04E-15,-3.03E-15,-0.192307692,-0.166666667,0.108695652,0.222222222,0.5,0,-0.368852459,0.057377049,-0.016393443,-0.172131148,0.059515324,0.133879781,0.401639344,0,1.570384628,1.091415637,1.189305025,1.104662607,0.65374938,0.457111106,0.004506164,0,1.444444444,1.203703704,1.277777778,1.059259259,0.596618357,0.401234568,0,0,1.444444444,1.203703704,1.277777778,1.059259259,0.596618357,0.401234568,0,0,1.444444444,1.203703704,1.277777778,1.059259259,0.596618357,0.401234568,0,0,1.444444444,1.203703704,1.277777778,1.059259259,0.596618357,0.401234568,0,0,1.444444444,1.203703704,1.277777778,1.059259259,0.596618357,0.401234568,0,0,1.89435337,0.828779599,1.032786885,1.243169399,0.704205274,0.520947177,0,0,38.39238885,19.19619443,27.63916344,38.39238885,4.265820983,19.19619444,-1.42E-14,0.017515666,0.001946185,-3.64019363,54.73366754,6.081518615,3.602231113,38.39238885,19.19619443,27.63916344,38.39238885,4.265820983,19.19619444,-1.42E-14,0.017515666,0.001946185,-3.64019363,54.73366754,6.081518615,3.602231113,38.39238885,19.19619443,27.63916344,38.39238885,4.265820983,19.19619444,-1.42E-14,0.017515666,0.001946185,-3.64019363,54.73366754,6.081518615,3.602231113,38.39238885,19.19619443,27.63916344,38.39238885,4.265820983,19.19619444,-1.42E-14,0.017515666,0.001946185,-3.64019363,54.73366754,6.081518615,3.602231113,38.39238885,19.19619443,27.63916344,38.39238885,4.265820983,19.19619444,-1.42E-14,0.017515666,0.001946185,-3.64019363,54.73366754,6.081518615,3.602231113,38.39238885,19.19619443,27.63916344,38.39238885,4.265820983,19.19619444,-1.42E-14,0.017515666,0.001946185,-3.64019363,54.73366754,6.081518615,3.602231113,45.65131009,22.55743551,32.87896614,45.550532,5.061170222,22.55743551,-0.183333333,0.009665768,0.001073974,-4.175248261,49.19916219,5.466573576,3.506288935,0,11.9,12.1001487,-0.150126399,0.050082478,5.798057755,9.697503659,9,27,27,27,9,0,0,0,0,0,19.677726,3.692434643,3.138614252,2.750129472,2.705633994,2.193871786,1.682450447,1.456797487,1.199998143,2.022838382,1.662642051,1.418548695,1.372874417,1.078459027,0.80429149,0.666206401,0.544614305,3.713967004,3.173888263,2.792995694,2.757008849,2.262013353,1.773508686,1.556142907,1.316179017,1.972929745,1.586896491,1.322081451,1.285229005,0.965813479,0.668573939,0.522081792,0.390461416,3.809853706,3.329946282,2.981537655,2.97866536,2.548006905,2.14753593,1.9628467,1.779189806,1.829242409,1.361157492,1.021807029,1.018928274,0.602115726,0.216693231,0.037619229,0.137613127,3.729892728,3.199947793,2.824624264,2.794682422,2.311556934,1.839284766,1.62787375,1.399264523,1.941428708,1.538344959,1.259173438,1.228596505,0.891346636,0.57780787,0.425347018,0.286330557,3.857302412,3.406049941,3.083149579,3.072480534,2.678203101,2.313069376,2.141548494,1.977184606,1.785365813,1.290329109,0.933903671,0.923321713,0.47785506,0.057100147,0.135164289,0.330696265,3.71880234,3.271123416,2.970308397,2.849225422,2.441521297,1.979992366,1.744477468,1.539004423,1.936530116,1.449285837,1.1655301,1.076523315,0.732138942,0.405129555,0.270278054,0.113977957,0,0,0,0,0,2,6,0,1,0,0,0,0.088388348,0.150888348,0,0,0,0.088388348,0.150888348,0.926776695,0.176776695,0,0,0.926776695,0.176776695,0,0,1.633883476,1.920495129,1.383883476,1.633883476,1.920495129,1.383883476,6.742640687,4.267766953,3.724873734,2.914213562,1.758883476,1.207106781,0.478553391,0.125,0.749182299,0.474196328,0.310406145,0.224170274,0.146573623,0.100592232,0.079758898,0.0625,6.742640687,4.267766953,3.724873734,2.914213562,1.758883476,1.207106781,0.478553391,0.125,0.749182299,0.474196328,0.310406145,0.224170274,0.146573623,0.100592232,0.079758898,0.0625,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.3668,41.483,35.18512298,49.38818759,70.37024596,7.818916217,35.18512298,0.201987748,0.022443083,-1.439593413,39.41501847,4.379446496,3.306732231,67,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,6,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.761388889,0,8.768125,0,0,0,0,0,0,0,0,0,0.720486111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.324722222,0,1.381944444,0,0,0,0,0,0,0,0,0,0.720486111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.436666667,0,1.481736111,0,0,0,0,0,0,0,0,0,0.720486111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.25,1.583333333,0.2,2.436666667,0,0.720486111,6.459675347,0.529513889,0.436666667,1.522777778,0.529513889,0.436666667,1.522777778,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.22222,0,0.11111,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,10.28939,1.14327,10.28939,0,0,4.26777,0.4742,4.26777,0,0,0.14623,0.01625,0.23223,0.0258,0.222222222,9,0,0,0,0,0,0,1,0.918295834,1.326427316,2.336953705,3.235644909,3.217488428,2.431589134,24.79398752,35.81353753,63.09775004,87.36241255,86.87218755,65.65290661,0.193126721,0.27896082,0.491484542,0.680488215,0.676669727,0.511387311,3.836591668,3.428460186,2.417933797,1.519242593,1.537399074,2.323298369,0.193126721,0.27896082,0.491484542,0.680488215,0.676669727,0.511387311,6.73287657,11.63045435,17.02739204,18.24044351,15.77943941,12.7442641,35.54887502,28.77326947,23.03692779,20.37828057,24.01804724,29.80606171,7.111111111,2.722222222,1.704142012,2,0,2,2.45,1.2681,0.333333333,4.326341831,0,1.414213562,7.732315986,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.111,0.198,0.227,4.209,12,13,12,12,6,2,0,0,0,75,2.302585093,2.564949357,2.63905733,2.564949357,2.564949357,1.945910149,1.098612289,0,0,0,4.33073334,1,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,3,0.333333333,1,3,5,0.666666667,2.5,1.111111111,0.375,0.262222222,0.0625,0,0,0,0,0,0.277777778,0.092592593,0.0375,0.065555556,0.0625,0,0,0,0,0,0.535925926,19.19619443,27.63916344,38.39238885,4.265820983,19.19619444,0.017515666,0.001946185,-3.64019363,54.73366754,6.081518615,3.602231113,0,151.8638616,4.169925001,3.761200116,4.532599493,5.370638028,6.163314804,7.005789019,7.802618063,8.645938147,9.443751036,10.28721817,81.01306688,2.944438979,0,4.204692619,0,5.707110265,0,7.296413269,0,8.917176636,9.140561477,126.1408506,4.671883355,17.4630958,1.940343977,0,0,0,84,10,5.097,42,1.22699952,2.101648878,2.841411118,3.493869191,4.133449199,4.519424486,5.359741897,0,0,0,78.95148878,91.1177179,79.47069947,47.4191251,26.01824046,14.55769992,5.445840791,0,0,0,290.5400635,371.1853466,389.7137097,324.2216261,248.8663658,215.6456852,166.6008473,0,0,0,8.938429587,15.02156236,20.10628908,24.32631527,28.27740563,30.72225721,36.00923299,0,0,0,2.17886504,2.958760547,3.35469886,3.144635175,2.749457388,2.610452859,2.383010414,0,0,0,175.1121323,320.7131935,447.4230666,579.3755205,724.4376994,807.1523442,991.1108871,0,0,0,2.324853475,3.378716978,4.427609976,4.964331633,5.006366192,5.159309907,5.359741897,0,0,0,0.45089223,0.619872453,0.712275746,0.681381064,0.609376743,0.58642751,0.54883757,0,0,0,342.2280867,157.6041009,8.717186527,83.77920749,-38.58229988,-4.51200151,258.4488792,196.1864008,13.22918804,0.803338561,0.369956344,0.020462529,0.196661439,-0.090567228,-0.010591371,145.7916612,67.14049658,3.713585046,35.69055349,-16.43634118,-1.922145555,0.058740709,0.140671845,0.606850061,1.114832836,426.0072942,0,1,0,620.8036052,24.91593075,8.530701456,795.1702547,28.19876335,9.264458536,1126.208076,33.55902377,10.4041406,1.360746721,1.360746721,375.4019819,353.8656224,216.5599019,1.060860276,1.733478722,1.634031135,3.907006955,3.779648656,6.126310731,0.620867781,5.80085279,7.445593487,7.418976557,14.67167363,25.00853256,18.78817476,16.27753448,14.06170687,10.15691882,0.74476843,1.479311734,8.62E-07,7.06E-34,1.12E-82,3.40E-153,2.00E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.427425153,6.526069959,0.587778175,5.828647413,1.254317391,4.056619417,1.43223432,1.087143635,0.294798051,0.008501331,0.010418913,6.07E-09,4.97E-36,7.86E-85,2.40E-155,1.41E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.417913889,6.587515234,1.895729826,6.674681149,4.549662995,6.429322284,2.943458888,2.564280338,1.31906374,0.063026738,0.108573112,6.32E-08,5.18E-35,8.19E-84,2.50E-154,1.47E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.434274981,7.344638173,6.970195321,13.79104165,23.00477643,17.66191751,14.8313377,12.85306457,9.203360964,0.665817119,1.318040122,7.68E-07,6.29E-34,9.94E-83,3.03E-153,1.78E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.129428615,6.667181455,2.819263923,7.540208619,7.273049912,8.246451646,4.431894973,3.926056231,2.315786227,0.128890561,0.235835307,1.37E-07,1.13E-34,1.78E-83,5.42E-154,3.19E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.200840578,7.870096765,9.115332955,18.31747108,33.0515011,23.21299001,22.24230272,19.00722728,14.0846927,1.07555503,2.157437136,1.26E-06,1.03E-33,1.63E-82,4.96E-153,2.92E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.649190566,6.315544205,4.405180273,9.600166775,12.92629826,12.53807802,8.304846489,7.579296975,4.780634599,0.30558519,0.590085567,3.44E-07,2.82E-34,4.45E-83,1.36E-153,7.98E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.646554706,1.576120956,1.3080418,0.478519238,0.284975858,0.480361724,0.474174894,0.45530377,5.530717462,9.694726606,20.68166618,0.217778857,1.409840388,2.036491381,0.944089142,0.773388844,0.542490144,0.251490902,0.287053456,0.182230024,0.1587991,3.753969367,4.227777126,9.468686622,0.313735215,0.62808258,2.278266069,1.194500585,0.986869385,0.510863678,0.267847101,0.357852919,0.280901431,0.259327081,4.459636039,6.148557244,13.29384991,0.266295517,0.898081431,2.631397799,1.560437837,1.294894549,0.479593075,0.284402146,0.474969865,0.46520438,0.446223126,5.486730185,9.534117806,20.33785683,0.219389612,1.38639737,2.386254532,1.306471906,1.081454282,0.499824927,0.273653634,0.391938797,0.332205182,0.311447826,4.77418072,7.111089324,15.25678434,0.249737391,1.035591805,2.69402493,1.625220227,1.349184724,0.475268282,0.286714357,0.497443572,0.502827564,0.484305362,5.668429881,10.20584339,21.78152183,0.212902423,1.484576498,2.636658143,1.568717331,1.297068924,0.479179425,0.285094627,0.476588849,0.467920131,0.447729809,5.502444398,9.590833165,20.45817685,0.218769138,1.392238789 +UMLMON0240,L,1-methyl-1-ethylcyclohexane,CCC1(CCCCC1)C,35411,,UML,[1],C9H18,PubChem,,76.7,0,1.3468,1.81387024,21.7836,12.374344,0,0,12,4,8,0,4,0,0,0,0,0,0,0,0,0,585.184996,529.649067,415.695506,248.233273,78.738912,9.144576,0,0,0,1942.737562,2188.443636,2180.902434,1558.996044,874.9221648,279.7536999,0,0,0,83.909776,79.562604,126.568136,111.51082,83.016576,60.466176,0,0,0,14.71250324,17.27505448,19.38092053,14.80954481,9.348943289,4.001516144,0,0,0,1986.518641,1605.36345,2894.320101,2646.198302,2028.241198,1664.258868,0,0,0,24,28,34,27,18,9,0,0,0,48.76541633,48.14991518,23.09419478,15.51457956,6.561576,1.016064,0,0,0,161.8947969,198.9494215,121.1612463,97.43725273,72.9101804,31.08374443,0,0,0,6.992481333,7.232964,7.031563111,6.96942625,6.918048,6.718464,0,0,0,1.226041937,1.570459498,1.076717807,0.925596551,0.779078607,0.444612905,0,0,0,165.54322,145.9421318,160.7955612,165.3873939,169.0200999,184.917652,0,0,0,2,2.545454545,1.888888889,1.6875,1.5,1,0,0,0,0.031893696,-0.001085686,-0.017541671,-0.005558304,0.001594823,0.00664399,0,0,0,322.8426907,-53.80711511,-80.71067267,-67.25889389,-80.71067267,121.066009,0,0,0,600.3397692,-100.0566282,-150.0849423,-125.0707852,-150.0849423,225.1274134,0,0,0,0.063242667,-0.010540444,-0.015810667,-0.013175556,-0.015810667,0.023716,0,0,0,2.683798093,-0.447299682,-0.670949523,-0.559124603,-0.670949523,1.006424285,0,0,0,14.57843384,-2.429738973,-3.644608459,-3.037173716,-3.644608459,5.466912688,0,0,0,2.666666667,-0.444444444,-0.666666667,-0.555555556,-0.666666667,1,0,0,0,0.002657808,-9.87E-05,-9.75E-04,-3.47E-04,1.33E-04,7.38E-04,0,0,0,26.90355756,-4.891555919,-4.483926259,-4.203680868,-6.725889389,13.45177878,0,0,0,50.0283141,-9.096057109,-8.33805235,-7.816924078,-12.50707852,25.01415705,0,0,0,0.005270222,-9.58E-04,-8.78E-04,-8.23E-04,-0.001317556,0.002635111,0,0,0,0.223649841,-0.040663607,-0.037274974,-0.034945288,-0.05591246,0.111824921,0,0,0,1.214869486,-0.220885361,-0.202478248,-0.189823357,-0.303717372,0.607434743,0,0,0,0.222222222,-0.04040404,-0.037037037,-0.034722222,-0.055555556,0.111111111,0,0,0,-0.03713539,-0.36666956,-0.130706962,0.05000434,0.27775563,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,1.262950796,1.46874977,1.194221328,0.546875344,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,0,11.89,12.11003668,-0.181285491,0.043200545,4.966579476,5.802081888,3,11,10,10,2,1,1,0,0,1,8.745656,3.390710197,2.584509236,1.837979866,0.786375036,0.083923071,0.083923071,0.083923071,0.083923071,1.789553149,1.376366662,0.827698544,0.270263698,0.083923071,0.083923071,0.083923071,0.083923071,3.416060273,2.64365993,1.91709112,0.918327447,0.270913902,0.270913902,0.270913902,0.270913902,1.728563216,1.272632769,0.70580992,0.104477258,0.270913902,0.270913902,0.270913902,0.270913902,3.530445574,2.895090214,2.24378896,1.436958256,0.943918427,0.943918427,0.943918427,0.943918427,1.553819833,0.94329689,0.304605346,0.471112772,0.943918427,0.943918427,0.943918427,0.943918427,3.434896943,2.686833051,1.974314718,1.01227312,0.399277246,0.399277246,0.399277246,0.399277246,1.690101937,1.204479793,0.624663305,0.008036186,0.399277246,0.399277246,0.399277246,0.399277246,3.58776046,3.011439194,2.389604742,1.655137903,1.207644823,1.207644823,1.207644823,1.207644823,1.501028367,0.832901232,0.164472647,0.685039239,1.207644823,1.207644823,1.207644823,1.207644823,3.45057003,2.722232483,2.020893764,1.08777252,0.5,0.5,0.5,0.5,1.661745534,1.152761705,0.562473031,0.095511473,0.5,0.5,0.5,0.5,0,0,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,3.154700538,1.488033872,0.666666667,0.333333333,0,0,0,0,0.788675135,0.496011291,0.333333333,0.333333333,0,0,0,0,6.167311215,11.55134741,10.90196078,11.04,7.194217964,92.11302036,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.50859,20.218,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,2,0,2,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.719444444,0,0,0,0.580555556,0,0.719444444,0,0,0,0,0,0,0,0,4,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0,0,0.290277778,0,0.359722222,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0,0,0.290277778,0,0.359722222,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,2,0.359722222,2,0.290277778,2,2.848,0,0,0,0,0,0,2,0.5,0,0,0.43333,0.7,0.41429,0.41429,0.7,0.01905,0.01905,0,0,0.71429,0,0,0.5,0,0,2.5,0.625,1.5,0.375,1,0.25,-0.5,-0.125,0,0,2.08333,0.52083,2.95465,0.87132,0.21783,1.25,0.3125,1.91421,0.66421,0.16605,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3,0,0,0,0,0,0,0.5,0.918295834,1.79248125,1.79248125,1.79248125,1.361654167,0.5,11.01955001,21.509775,21.509775,21.509775,16.33985,6,0.256152145,0.5,0.5,0.5,0.379823824,0.139471473,2.666666667,1.79248125,1.79248125,1.79248125,2.223308334,3.084962501,0.256152145,0.5,0.5,0.5,0.379823824,0.139471473,6.73287657,11.27796084,11.27796084,11.27796084,6.108035837,0.503912516,15.79950001,14.20150417,14.20150417,14.20150417,9.031579168,3,4,3,4,4,2,4,1.9,0.6292,0.333333333,2.828427125,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,1.71,2,1,0,0,0,0,0,0,0,10,1.609437912,1.609437912,1.098612289,0,0,0,0,0,0,0,2.708050201,1.4,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.666666667,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,0,75.1039385,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,56.06260026,4.671883355,6.871320344,1.717830086,0,0,0,10,1,2.31,10,1.188017394,2.060985138,2.933606679,3.749463668,4.847692575,0,0,0,0,0,66.36786025,55.03856777,54.09816018,28.0854339,4.925565908,0,0,0,0,0,257.7688965,272.6145696,309.578207,299.6445554,150.6844371,0,0,0,0,0,8.622213516,14.5505005,20.49619275,26.06432499,32.56904805,0,0,0,0,0,1.981917004,2.363908222,2.857819216,3.131199231,2.155346677,0,0,0,0,0,171.5559643,327.0885234,481.5866163,623.7497377,896.4239286,0,0,0,0,0,3.162741753,4.085084594,5.133387226,5.938237116,4.847692575,0,0,0,0,0,0.411980673,0.502676856,0.614583173,0.685120306,0.49640372,0,0,0,0,0,240.0021017,66.29896297,7.893177567,97.36502492,-26.89643189,-6.262642137,142.6370768,93.19539486,14.1558197,0.711397415,0.196518741,0.023396404,0.288602585,-0.079724519,-0.018563285,80.96881942,22.36709063,2.662898636,32.84775869,-9.073971943,-2.112809582,0.204931531,0.330482582,4.664976871,9.374694848,337.3671266,0,1,0,209.2665805,14.46604924,5.936994218,289.6761399,17.01987485,6.616641048,265.0376431,16.27997675,6.42346241,2.09810518,2.09810518,141.8352679,133.3376728,14.89399822,1.06372989,9.522981394,8.952443178,2.71065771,3.204917586,5.281728771,0.648007673,3.391793885,2.074000348,1.615147766,4.186959765,2.314976162,2.128127713,0.434770424,3.116000161,1.625560412,0.017049939,7.84E-23,6.96E-65,1.19E-128,3.93E-214,2.5E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.284657545,2.070655074,0.132600956,2.019225102,0.027768291,0.030493412,0.293879126,0.190784117,0.011449032,1.20E-04,5.52E-25,4.90E-67,8.38E-131,2.77E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.918890314,2.070878675,0.429994047,2.180509392,0.199358679,0.196026957,0.322177566,0.662473932,0.119307135,0.001251369,5.76E-24,5.11E-66,8.74E-130,2.88E-215,1.83E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.201577225,2.073633089,1.522538414,3.954774571,2.070495537,1.906799301,0.425982258,2.89255493,1.448345115,0.015191188,6.99E-23,6.20E-65,1.06E-128,3.50E-214,2.23E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.354271227,2.071168529,0.635696883,2.374719084,0.404824104,0.387643305,0.341740284,1.023510773,0.259150851,0.002718141,1.25E-23,1.11E-65,1.90E-129,6.26E-215,4.0E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.096080561,2.07554461,1.9601378,5.159586864,3.338783676,3.053102642,0.46749401,3.993691084,2.370726837,0.024865733,1.14E-22,1.01E-64,1.74E-128,5.73E-214,3.646E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.695901193,2.071473694,0.797990102,2.574701793,0.616022028,0.582450128,0.35716848,1.328030666,0.406390354,0.004262485,1.96E-23,1.74E-65,2.98E-129,9.82E-215,6.27E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.391000671,0.651198193,0.264447482,0.787387772,0.151207724,0.66099894,0.408034674,0.333320592,4.306646346,3.277162819,8.167765666,0.681081658,1.402354206,2.321137639,0.208543189,0.057010707,0.897338398,0.080621592,0.309731782,0.041692766,0.015491595,2.586691536,0.628276339,3.242564333,0.846007597,0.366916143,2.745735896,0.384668002,0.139397861,0.839725494,0.117642607,0.433304602,0.142200077,0.09261802,3.269801759,1.492568348,4.909601673,0.75958824,0.668122699,3.364486202,0.640266977,0.259311932,0.789032558,0.150154128,0.650693436,0.394445062,0.320500177,4.264065111,3.192649693,8.015316635,0.683548837,1.365638674,2.935145761,0.463025134,0.176121206,0.821182399,0.129543171,0.495147363,0.206156122,0.147844978,3.574292101,1.957536217,5.771185185,0.731773598,0.849148462,3.474017276,0.68541403,0.280525518,0.782443932,0.15437403,0.693791927,0.452053929,0.375083551,4.439956824,3.547966803,8.655894209,0.673665898,1.520929407,3.361319809,0.638961454,0.258698624,0.7892312,0.150026878,0.64946818,0.39283738,0.318985916,4.258979887,3.18262105,7.997221887,0.683846801,1.361291477 +UMLMON0241,L,2-butene,C/C=C/C,62695,,UML,[1],C4H8,PubChem,,86.5,0,-0.0316,9.99E-04,20.5167,15.46793,0,0,15,5,10,0,5,0,0,0,0,0,0,0,0,0,731.481245,842.391485,656.816331,450.070322,132.247584,12.192768,0,0,0,2428.421953,3264.950672,3522.312267,2721.213111,1489.287352,373.0049332,0,0,0,104.88722,108.8789,191.049708,207.98804,145.079424,80.621568,0,0,0,18.39062905,25.0799431,31.07817501,26.0541382,16.02618505,5.335354858,0,0,0,2483.148301,2165.197258,4246.094839,5049.741717,3565.319649,2219.011824,0,0,0,22.52777778,27.58333333,40.16666667,40,28,12,0,0,0,48.76541633,56.15943233,24.32653078,15.00234407,6.297504,1.016064,0,0,0,161.8947969,217.6633782,130.4560099,90.70710369,70.91844535,31.08374443,0,0,0,6.992481333,7.258593333,7.075915111,6.932934667,6.908544,6.718464,0,0,0,1.226041937,1.671996207,1.151043519,0.868471273,0.763151669,0.444612905,0,0,0,165.54322,144.3464838,157.2627718,168.3247239,169.7771262,184.917652,0,0,0,1.501851852,1.838888889,1.487654321,1.333333333,1.333333333,1,0,0,0,0.020323964,-0.001653043,-0.01182387,0.002062553,-0.006079323,0.0073317,0,0,0,403.5533633,9.24E-14,-242.132018,2.49E-14,-121.066009,161.4213453,0,0,0,750.4247115,2.42E-13,-450.2548269,-2.06E-13,-225.1274134,300.1698846,0,0,0,0.079053333,1.13E-15,-0.047432,-4.52E-16,-0.023716,0.031621333,0,0,0,3.354747616,-1.33E-15,-2.01284857,3.05E-16,-1.006424285,1.341899046,0,0,0,18.22304229,5.46E-14,-10.93382538,-2.58E-14,-5.466912688,7.289216918,0,0,0,1.325925926,-0.355555556,-0.532962963,0.37037037,-0.572962963,0.428148148,0,0,0,0.001354931,-1.10E-04,-4.38E-04,6.88E-05,-2.89E-04,6.11E-04,0,0,0,26.90355756,6.16E-15,-8.967852519,8.29E-16,-5.765048048,13.45177878,0,0,0,50.0283141,1.61E-14,-16.6761047,-6.87E-15,-10.72035302,25.01415705,0,0,0,0.005270222,7.55E-17,-0.001756741,-1.51E-17,-0.001129333,0.002635111,0,0,0,0.223649841,-8.88E-17,-0.074549947,1.02E-17,-0.047924966,0.111824921,0,0,0,1.214869486,3.64E-15,-0.404956495,-8.59E-16,-0.260329176,0.607434743,0,0,0,0.088395062,-0.023703704,-0.019739369,0.012345679,-0.027283951,0.035679012,0,0,0,-0.08133468,-0.323205481,0.050741901,-0.213657796,0.450927075,0,0,0,2.29E-16,-0.333333333,3.08E-17,-0.214285714,0.5,0,0,0,3.22E-16,-0.333333333,-1.37E-16,-0.214285714,0.5,0,0,0,1.43E-14,-0.333333333,-2.86E-15,-0.214285714,0.5,0,0,0,-3.97E-16,-0.333333333,4.55E-17,-0.214285714,0.5,0,0,0,3.00E-15,-0.333333333,-7.07E-16,-0.214285714,0.5,0,0,0,-0.268156425,-0.223308504,0.139664804,-0.308659218,0.403631285,0,0,0,1.480769213,1.334400663,0.806259259,1.07211577,0.004786249,0,0,0,1.4,1.4,0.84,1,0,0,0,0,1.4,1.4,0.84,1,0,0,0,0,1.4,1.4,0.84,1,0,0,0,0,1.4,1.4,0.84,1,0,0,0,0,1.4,1.4,0.84,1,0,0,0,0,1.740223464,1.097144631,0.674581006,1.382681564,0,0,0,0,14.01721518,7.00860759,11.27121421,14.01721518,2.803443036,7.010645418,-7.11E-15,0.11781708,0.023563416,-1.069311014,15.8369439,3.167388779,1.381172716,14.01721518,7.00860759,11.27121421,14.01721518,2.803443036,7.010645418,-7.11E-15,0.11781708,0.023563416,-1.069311014,15.8369439,3.167388779,1.381172716,14.01721518,7.00860759,11.27121421,14.01721518,2.803443036,7.010645418,-7.11E-15,0.11781708,0.023563416,-1.069311014,15.8369439,3.167388779,1.381172716,14.01721518,7.00860759,11.27121421,14.01721518,2.803443036,7.010645418,-7.11E-15,0.11781708,0.023563416,-1.069311014,15.8369439,3.167388779,1.381172716,14.01721518,7.00860759,11.27121421,14.01721518,2.803443036,7.010645418,-7.11E-15,0.11781708,0.023563416,-1.069311014,15.8369439,3.167388779,1.381172716,14.01721518,7.00860759,11.27121421,14.01721518,2.803443036,7.010645418,-7.11E-15,0.11781708,0.023563416,-1.069311014,15.8369439,3.167388779,1.381172716,15.72929117,7.818812252,12.68500191,15.67429117,3.134858234,7.81967291,-0.091666667,0.062662112,0.012532422,-1.384999144,16.99660182,3.399320364,1.416506716,0,11.9,12.10006119,-0.149733405,0.050326441,5.030245864,6.626255313,5,15,15,15,5,0,0,0,0,0,10.93207,3.682792498,2.875308623,1.781050836,1.456797487,0.982407959,0.083923071,0.083923071,0.083923071,1.731768936,1.372874417,1.186353807,0.738867578,0.328877313,0.083923071,0.083923071,0.083923071,3.705577992,2.922305584,1.865524179,1.556142907,1.102192339,0.270913902,0.270913902,0.270913902,1.661104775,1.285229005,1.087403324,0.598810515,0.164625872,0.270913902,0.270913902,0.270913902,3.80594873,3.125058403,2.217061761,1.9628467,1.580076055,0.943918427,0.943918427,0.943918427,1.452975438,1.018928274,0.778724159,0.128859154,0.408087509,0.943918427,0.943918427,0.943918427,3.722369034,2.956757588,1.926828619,1.62787375,1.187918158,0.399277246,0.399277246,0.399277246,1.616026867,1.228596505,1.022817432,0.504890112,0.053030006,0.399277246,0.399277246,0.399277246,3.855033944,3.220804695,2.374691829,2.141548494,1.784308279,1.207644823,1.207644823,1.207644823,1.388431721,0.933903671,0.677326107,0.038744208,0.622754165,1.207644823,1.207644823,1.207644823,3.707302022,3.112760519,2.069458384,1.752482097,1.322178027,0.638297872,0.638297872,0.638297872,1.53422568,1.156737416,0.887361011,0.329217177,0.134849597,0.638297872,0.638297872,0.638297872,0,0,0,0,0,1,3,1,0,0.288675135,0.204124145,0,0,0,0.288675135,0.204124145,0,0,0,0.204124145,0,0,0,0.204124145,0,0,0,0.204124145,0,0,0.204124145,0,0,3.698670613,2.431851653,1.851623963,0.98559856,0.40824829,0,0,0,0.739734123,0.486370331,0.308603994,0.24639964,0.204124145,0,0,0,3.698670613,2.431851653,1.851623963,0.98559856,0.40824829,0,0,0,0.739734123,0.486370331,0.308603994,0.24639964,0.204124145,0,0,0,7.709139019,14.43918427,13.62745098,13.8,8.992772455,115.1412754,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.8064,23.015,9.863036119,15.50058986,19.72607224,3.945214447,9.863133662,0.087471204,0.017494241,-1.21822282,21.86654392,4.373308785,1.542478897,25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,1,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,2.261574074,0,4.4375,0,0,0,1.134259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.261574074,0,1.416666667,0,0,0,1.134259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.261574074,0,1.510416667,0,0,0,1.134259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.833333333,1.566666667,0.2,2.261574074,0.2,1.134259259,3.597935185,0.199074074,0.261574074,0.564814815,0.199074074,0.261574074,0.564814815,2.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.2,0.2,0,2.5,0.5,2.5,0.5,0,0,-2.5,-0.5,0,0,3.69192,0.73838,3.69192,0,0,2.43185,0.48637,2.43185,0,0,-0.01785,-0.00357,0.06815,0.01363,0.2,5,0,0,0,0,0,0,1,0.918295834,1.375279366,2.422579762,2.789898095,2.529438722,2.008519976,13.77443751,20.62919048,36.33869643,41.84847143,37.94158084,30.12779965,0.235045188,0.35201379,0.620078731,0.714096806,0.647430139,0.514096806,2.988594762,2.53161123,1.484310834,1.1169925,1.377451873,1.898370619,0.235045188,0.35201379,0.620078731,0.714096806,0.647430139,0.514096806,6.73287657,12.21667895,15.2909882,15.66118081,12.53566833,9.147658382,19.74937501,15.38420362,14.16553733,13.80209736,12.23934112,10.41612551,3.2,1,0.64,2,0,2,2.01,0.7045,0,1.44224957,0.5,0,1.889881575,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,2.397,6,4,2,0,0,0,0,0,0,22,1.791759469,1.945910149,1.609437912,1.098612289,0,0,0,0,0,0,3.135494216,1,0.333333333,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,2,0.4,0,2,3,0.5,1,0.5,0.222222222,0,0,0,0,0,0,0,0.2,0.166666667,0.111111111,0,0,0,0,0,0,0,0.477777778,7.00860759,11.27121421,14.01721518,2.803443036,7.010645418,0.11781708,0.023563416,-1.069311014,15.8369439,3.167388779,1.381172716,0,82.67992313,3.321928095,3.135494216,3.891820298,4.672828834,5.459585514,6.251903883,7.044905117,7.839525582,8.633908991,9.428913495,66.35888593,2.397895273,1.945910149,3.555348061,3.713572067,4.96284463,5.416100402,6.466144724,7.070724107,8.010027528,8.573573525,70.07825032,4.671883355,9.148995135,1.829799027,0,0,0,17,2,2.784,22,1.221991529,2.129836766,2.890562602,3.575741576,3.957294275,0,0,0,0,0,79.41842867,58.2582437,47.29149889,22.70914595,4.020864251,0,0,0,0,0,291.1981173,297.0357193,276.2956498,255.0258695,123.0075239,0,0,0,0,0,8.904472707,15.11714339,20.08368159,24.71003851,26.58693913,0,0,0,0,0,2.179976456,2.570988406,2.605231918,2.740346822,1.759464103,0,0,0,0,0,174.2401936,331.5469882,483.2461249,606.5318704,731.7735658,0,0,0,0,0,2.302665378,3.242026372,3.933700804,4.783214765,3.957294275,0,0,0,0,0,0.450977735,0.545979473,0.562767652,0.602820523,0.405226934,0,0,0,0,0,256.6821261,66.2375524,6.563890585,67.23721682,-17.35075496,-3.785954534,189.4449092,83.58830736,10.34984512,0.792426052,0.204487796,0.020263966,0.207573948,-0.053565047,-0.011687954,83.14430561,21.45562445,2.126171125,21.77943509,-5.620245146,-1.226343905,0.115761712,0.25161398,2.681247835,7.335277187,323.9193429,0,1,0,335.3540687,18.31267508,6.947595522,434.6627471,20.84856703,7.575026215,432.0882431,20.78673238,7.560040983,1.688363758,1.688363758,157.2644513,137.4258341,46.93762263,1.144358717,3.350498864,2.927839682,3.001683831,3.240213689,5.392784529,0.664329901,3.781026805,3.930937634,2.517814624,8.196214385,7.901092382,6.036825322,3.611057073,2.982824675,0.946125038,0.316790147,9.71E-17,5.74E-54,6.54E-113,1.44E-193,6.10E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.317315417,3.929710001,0.118398906,3.141252669,0.577110153,1.091860749,0.091059455,0.140991155,0.006663636,0.002231179,6.84E-19,4.04E-56,4.61E-115,1.01E-195,4.29E-298,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.024332755,3.929792253,0.443423082,3.769472041,1.156997989,1.806383574,0.433638288,0.52718167,0.069440225,0.023250604,7.12E-18,4.21E-55,4.80E-114,1.06E-194,4.48E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.568980875,3.930802928,2.312641825,7.743970789,7.12899382,5.629790018,3.262574566,2.740258408,0.842980375,0.282254317,8.65E-17,5.11E-54,5.83E-113,1.28E-193,5.43E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.509677992,3.929898698,0.715459,4.320563946,1.826782887,2.384428121,0.780428641,0.849858799,0.150833448,0.05050342,1.55E-17,9.15E-55,1.04E-113,2.29E-194,9.72E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.566137438,3.931504004,3.343652309,10.03278763,11.1273965,7.662327876,5.052331984,3.9588186,1.379834449,0.462008656,1.42E-16,8.37E-54,9.54E-113,2.10E-193,8.89E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.448757914,3.679120643,1.29027469,5.458047566,3.758702209,3.756353181,1.645337294,1.68672171,0.385474213,0.129067964,3.96E-17,2.34E-54,2.66E-113,5.86E-194,2.48E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.390234896,0.907446638,0.59431184,0.614141564,0.233157293,0.546805481,0.511768114,0.400293514,3.891993374,4.128861801,9.309923868,0.421212345,1.458867109,1.781511481,0.477551283,0.194420754,0.726115121,0.19464214,0.306765514,0.148395391,0.042643259,2.453483518,1.289971779,3.908861299,0.589172681,0.497804164,2.022965751,0.648270281,0.353576908,0.668790365,0.214317478,0.39376799,0.268075651,0.141449667,3.02481294,2.255915953,5.744419754,0.503185548,0.803293309,2.375135604,0.896800344,0.584443976,0.61589772,0.232549791,0.540020532,0.50031824,0.387107326,3.856379923,4.04228568,9.143544378,0.423846581,1.427446098,2.130731487,0.724372024,0.424374469,0.649716662,0.220880283,0.436080909,0.331990744,0.203930951,3.27947798,2.755075315,6.689550792,0.474574993,0.972002605,2.437514965,0.940779004,0.625195612,0.608847586,0.234989747,0.568324934,0.548404831,0.442977869,4.003489581,4.405257466,9.84242243,0.413271378,1.559707633,2.383635133,0.898509987,0.586001348,0.61622153,0.232284376,0.543629985,0.501198416,0.389173509,3.868146468,4.065061436,9.188258693,0.424332294,1.43400191 +UMLMON0242,L,ethylcyclopropane,CCC1CC1,70933,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C5H10,PubChem,,83.9,0,0.3211,0.10310521,34.5894,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1323.6122,1609.182801,1369.168591,765.865803,337.132825,76.792464,6.096384,0,3823.307636,4994.447843,6928.73748,6798.918459,4813.210131,2744.755653,1071.022993,186.5024666,0,154.382624,159.970976,299.553156,386.446588,328.612332,261.712036,143.083584,40.310784,0,28.53578067,37.90082034,56.49561099,59.59379878,45.32188435,28.60461715,12.68152803,2.667677429,0,3603.201977,3158.070517,6448.554114,8873.344869,7690.087045,6523.616021,3724.295171,1109.505912,0,36.02777778,44.08333333,72.41666667,85.41666667,69.58333333,49,24.5,6,0,53.10626655,60.16419091,38.31387621,24.89397438,16.29501709,8.871916447,3.656784,1.016064,0,173.7867107,227.0203565,164.96994,123.6166993,102.4087262,72.23041192,51.00109489,31.08374443,0,7.017392,7.271408,7.132218,7.0263016,6.991751745,6.887158842,6.813504,6.718464,0,1.297080939,1.722764561,1.345133595,1.083523614,0.964295412,0.752753083,0.603882287,0.444612905,0,163.781908,143.5486599,153.5370027,161.3335431,163.6188733,171.6741058,177.3473891,184.917652,0,1.637626263,2.003787879,1.724206349,1.553030303,1.480496454,1.289473684,1.166666667,1,0,0.038119035,0.001229315,-0.010832833,-0.012716059,-0.012580655,0.007501188,0.00459209,0.003747436,0,616.3360458,5.47E-13,-131.0714643,-121.066009,-293.15984,25.01363822,116.0632814,96.05237078,0,1146.103196,7.11E-14,-243.7329848,-225.1274134,-545.1432408,46.5139284,215.8246278,178.613485,0,0.120736,1.75E-15,-0.025676,-0.023716,-0.057428,0.0049,0.022736,0.018816,0,5.123614541,1.08E-14,-1.089599846,-1.006424285,-2.437043929,0.207938902,0.964836504,0.798485383,0,27.8315555,-2.75E-14,-5.918723654,-5.466912688,-13.2380613,1.129527415,5.241007205,4.337385273,0,2.481060606,-0.16540404,-0.401974288,-0.30239899,-1.167871901,0.129935721,0.336260331,0.330922865,0,0.001732683,5.59E-05,-2.58E-04,-2.31E-04,-2.68E-04,1.97E-04,2.19E-04,6.25E-04,0,28.01527481,2.49E-14,-3.12074915,-2.201200164,-6.237443404,0.658253637,5.526822922,16.00872846,0,52.0955998,3.23E-15,-5.803166305,-4.093225699,-11.59879236,1.224050747,10.27736323,29.76891417,0,0.005488,7.96E-17,-6.11E-04,-4.31E-04,-0.001221872,1.29E-04,0.001082667,0.003136,0,0.23289157,4.92E-16,-0.025942853,-0.018298623,-0.051851998,0.005472076,0.045944595,0.133080897,0,1.265070705,-1.25E-15,-0.140921992,-0.099398413,-0.281660879,0.029724406,0.249571772,0.722897546,0,0.112775482,-0.007518365,-0.009570816,-0.005498163,-0.024848338,0.003419361,0.016012397,0.055153811,0,0.032249367,-0.148858462,-0.133435266,-0.154484948,0.113927156,0.126203631,0.360465555,0,8.88E-16,-0.111394558,-0.078571429,-0.222644377,0.023496241,0.197278912,0.571428571,0,6.20E-17,-0.111394558,-0.078571429,-0.222644377,0.023496241,0.197278912,0.571428571,0,1.45E-14,-0.111394558,-0.078571429,-0.222644377,0.023496241,0.197278912,0.571428571,0,2.11E-15,-0.111394558,-0.078571429,-0.222644377,0.023496241,0.197278912,0.571428571,0,-9.89E-16,-0.111394558,-0.078571429,-0.222644377,0.023496241,0.197278912,0.571428571,0,-0.066666667,-0.084866109,-0.048753181,-0.220334579,0.030320075,0.141984733,0.489058524,0,1.21420805,1.282828609,1.192564292,1.121270221,0.613334297,0.418586499,0.003477523,0,1.3125,1.227678571,1.05,1.140957447,0.759868421,0.491071429,0,0,1.3125,1.227678571,1.05,1.140957447,0.759868421,0.491071429,0,0,1.3125,1.227678571,1.05,1.140957447,0.759868421,0.491071429,0,0,1.3125,1.227678571,1.05,1.140957447,0.759868421,0.491071429,0,0,1.3125,1.227678571,1.05,1.140957447,0.759868421,0.491071429,0,0,1.378625954,1.122391858,1.030229008,1.205587137,0.75174769,0.554198473,0,0,29.98742356,14.99371178,22.21969322,29.98742356,3.748427945,14.99371293,-8.88E-15,0.083333613,0.010416702,-1.987922631,52.63640843,6.579551054,3.170726445,29.98742356,14.99371178,22.21969322,29.98742356,3.748427945,14.99371293,-8.88E-15,0.083333613,0.010416702,-1.987922631,52.63640843,6.579551054,3.170726445,29.98742356,14.99371178,22.21969322,29.98742356,3.748427945,14.99371293,-8.88E-15,0.083333613,0.010416702,-1.987922631,52.63640843,6.579551054,3.170726445,29.98742356,14.99371178,22.21969322,29.98742356,3.748427945,14.99371293,-8.88E-15,0.083333613,0.010416702,-1.987922631,52.63640843,6.579551054,3.170726445,29.98742356,14.99371178,22.21969322,29.98742356,3.748427945,14.99371293,-8.88E-15,0.083333613,0.010416702,-1.987922631,52.63640843,6.579551054,3.170726445,29.98742356,14.99371178,22.21969322,29.98742356,3.748427945,14.99371293,-8.88E-15,0.083333613,0.010416702,-1.987922631,52.63640843,6.579551054,3.170726445,31.21562047,15.54808801,22.87041426,31.12603713,3.890754642,15.54808864,-0.119444444,0.016005418,0.002000677,-3.307862405,44.56427317,5.570534147,3.03754599,0,11.9,12.10012615,-0.140790063,0.060071253,5.574058625,8.483505835,8,22,21,21,7,1,1,0,0,1,15.304898,3.683600447,3.084975764,2.690253282,2.551307512,1.669439616,1.368842765,1.215247725,0.331947217,1.986470499,1.634081875,1.304885732,1.18972002,0.790246299,0.582524023,0.520224388,0.083923071,3.702571948,3.121894608,2.731082716,2.597031279,1.759904148,1.466582739,1.328511186,0.462753053,1.939212714,1.555024728,1.216068291,1.102014014,0.65430463,0.435334422,0.371975565,0.270913902,3.788401093,3.285633429,2.913432947,2.794341958,2.132892348,1.870481733,1.779920381,0.957943155,1.806020704,1.318410308,0.950141221,0.83278145,0.202021271,0.054635156,0.139121741,0.943918427,3.716675023,3.149199151,2.761353297,2.63056079,1.825353361,1.53739202,1.409542569,0.554803489,1.909635733,1.504243229,1.158954374,1.045223552,0.563404681,0.336859843,0.271617569,0.399277246,3.831674251,3.365544702,3.003016882,2.887495228,2.298411028,2.049776428,1.972425132,1.207644823,1.766273585,1.24403123,0.866927677,0.745059808,0.042553562,0.22738011,0.327122379,1.155513482,3.744719508,3.206432459,2.817510126,2.699394407,1.936026264,1.660385315,1.523980718,0.711397764,1.881922099,1.421691557,1.10313433,0.921348555,0.422152314,0.18391269,0.11252046,0.607594937,0,0,0,1,1,1,5,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.072168784,0.051031036,0.204124145,0,0,0,0.144337567,0,0,0,0.49279928,0.594861352,0.49279928,0.348461713,0.420630496,0.348461713,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,5.612884175,3.611136987,2.461707742,1.83915195,1.225762193,0.820631906,0.262619204,0.102062073,0.701610522,0.451392123,0.273523082,0.183915195,0.122576219,0.082063191,0.065654801,0.051031036,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.82299,36.572,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,6,3,0,1,0,0,0,0,0,0,0,0,1,0,5,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,1.601041667,0.870833333,0,0.272916667,0,0,0,0,0,0,0,0,2.247175926,0,6.836157407,0,2.40625,0,0,0,0,1.677083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.677083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,0.243402778,0.290277778,0,0.272916667,0,0,0,0,0,0,0,0,2.247175926,0,1.277777778,0,2.40625,0,0,0,0,1.677083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.40625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,0.290277778,0.290277778,0,0.272916667,0,0,0,0,0,0,0,0,2.247175926,0,1.430231481,0,2.40625,0,0,0,0,1.677083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.16666667,1.645833333,0.290277778,2.40625,0.026041667,1.277777778,4.70308912,0.222222222,0.40625,1.327685185,0.222222222,0.40625,1.327685185,4,0.5,0,0,0.44545,0.7,0.43333,0.43333,0.7,0.01212,0.01212,0,0,0.71429,0,0,0.125,0.125,0,5,0.625,4,0.5,1,0.125,-3,-0.375,0,0,6.98249,0.87281,8.02289,1.0404,0.13005,3.41672,0.42709,3.93185,0.51512,0.06439,-0.01785,-0.00223,0.06815,0.00852,0.272727273,8,0,0,0,0,0,0,0.75,0.945660305,1.965767808,2.99285605,3.42511855,3.788754914,3.606936732,20.8045267,43.24689177,65.8428331,75.35260811,83.35260811,79.35260811,0.212058483,0.440811291,0.671129486,0.768061682,0.849604891,0.808833287,3.513771314,2.493663811,1.466575568,1.034313068,0.670676705,0.852494886,0.209052139,0.434561929,0.661614913,0.757172906,0.83756008,0.797366493,6.786633838,16.43114617,18.84273529,21.27695753,21.64343936,19.46162117,31.28312609,20.5112056,18.64729656,15.31463226,14.25322744,16.93624375,6.125,3.111111111,1.8,2,2,2,2.34,1.0842,0,2.00414513,0.5,0,7.732315986,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.076,0.353,0.392,4.039,9,10,10,10,4,2,0,0,0,61,2.302585093,2.564949357,2.772588722,2.833213344,2.890371758,1.945910149,1.386294361,0,0,0,4.465908119,1.409836066,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,2,0.25,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,0,131.9314183,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,110.1095504,5.004979566,15.69266546,1.961583183,0,0,0,64,7,3.424,34,1.276135462,2.232095873,3.019964262,3.781719338,4.525221306,5.271970409,6.066050872,0,0,0,90.56942421,95.66103743,81.22987437,68.29075825,43.86961642,20.10765015,6.163495913,0,0,0,321.932708,396.4350828,392.6357829,407.5869585,343.2228113,275.1303641,188.555575,0,0,0,9.323433332,15.98066774,21.27116839,26.49195394,31.2261225,35.95043428,40.75454441,0,0,0,2.373319277,3.172315135,3.396308442,3.774476128,3.523719654,3.233660557,2.697044499,0,0,0,180.4399535,338.3767324,483.3618773,615.0100567,772.1930248,932.5931046,1121.719884,0,0,0,2.651716781,3.971432496,4.787627605,5.672763956,5.943070807,6.213220958,6.066050872,0,0,0,0.489584152,0.664840114,0.72232157,0.811491862,0.771340006,0.722856888,0.621163609,0,0,0,294.3780963,123.4263786,8.767884469,37.07796007,-15.54598795,-2.240785366,257.3001362,138.9723666,11.00866983,0.888136121,0.372376296,0.02645263,0.111863879,-0.046902109,-0.00676043,97.57340289,40.91042072,2.906168409,12.28971442,-5.15281186,-0.742721881,0.136334936,0.202181433,3.012992024,2.320791703,331.4560564,0,1,0,487.5544177,22.08063445,7.870597416,623.3852351,24.96768382,8.542510159,810.182204,28.46369976,9.322396416,1.905095408,1.800160031,447.7183604,366.5275881,140.0340218,1.2215134,3.197211325,2.617418134,4.028081598,3.986298689,6.891246362,0.728733068,3.986411483,4.211295412,3.405886986,18.39718263,12.84944152,9.040805983,11.73691964,10.09849771,3.147410231,4.602726862,3.821397231,1.565939478,0.30644046,8.05E-17,4.08E-54,3.99E-113,7.52E-194,2.73E-296,0,0,0,0,0,0,0,0,0,0,0,0,0.334685095,4.211023988,0.356390505,6.019392684,4.933538926,0.792723885,2.103326101,1.312017487,0.242847019,0.186530985,0.147025267,0.011029041,0.002158285,5.67E-19,2.87E-56,2.81E-115,5.30E-196,1.93E-298,0,0,0,0,0,0,0,0,0,0,0,0,1.080080303,4.211042652,0.923710945,7.870674277,5.845119146,1.983511902,3.470362515,2.340980125,0.598080469,0.733727188,0.589056948,0.114931101,0.022490996,5.91E-18,2.99E-55,2.93E-114,5.52E-195,2.01E-297,0,0,0,0,0,0,0,0,0,0,0,0,3.76285541,4.211265799,3.199689884,17.40052825,12.11570442,8.361520427,10.93511524,9.290124883,2.885522317,4.20705089,3.487499578,1.395223883,0.273032932,7.17E-17,3.64E-54,3.55E-113,6.70E-194,2.44E-296,0,0,0,0,0,0,0,0,0,0,0,0,1.591770745,4.211066373,1.32953287,9.342028401,6.679989149,2.947279414,4.586760092,3.274340043,0.912500248,1.214542463,0.98394525,0.249645706,0.048853449,1.28E-17,6.50E-55,6.36E-114,1.20E-194,4.36E-297,0,0,0,0,0,0,0,0,0,0,0,0,4.814138997,4.211419815,4.191493178,22.35859252,15.84900953,11.75384903,14.94639898,13.39863769,4.212521464,6.210027911,5.181380437,2.283775555,0.44691461,1.17E-16,5.95E-54,5.82E-113,1.10E-193,3.99E-296,0,0,0,0,0,0,0,0,0,0,0,0,2.428600612,3.927525433,2.005196018,12.07651734,8.649874051,4.830132812,6.664692268,4.866191672,1.534900063,2.244076927,1.802887967,0.578100399,0.113129117,2.97E-17,1.51E-54,1.47E-113,2.78E-194,1.01E-296,0,0,0,0,0,0,0,0,0,0,0,0,4.10576026,1.565981669,0.696385859,0.644735847,0.245909272,0.569080095,0.458314943,0.402502894,6.368127787,10.37926618,21.22483839,0.46710377,1.429897932,3.066548578,1.014008128,0.268519808,0.705103387,0.233154815,0.318274837,0.191426804,0.058400061,4.349076514,4.205215485,9.389255733,0.55765508,0.568101702,3.462198275,1.223968296,0.431760016,0.676484552,0.239153156,0.405236756,0.27924047,0.152594254,5.117926587,6.260920277,13.20848214,0.514726828,0.837071479,4.078238468,1.551344498,0.685088645,0.6458354,0.245673028,0.561505677,0.449730799,0.389346791,6.314671611,10.18351618,20.8325743,0.468753101,1.400583267,3.645600328,1.321377232,0.507276352,0.665953824,0.241380333,0.449103078,0.325678554,0.211555038,5.474253913,7.33684353,15.25475582,0.498930736,0.98633667,4.192557692,1.612149862,0.732004498,0.641386321,0.246630087,0.59330034,0.485932231,0.44544423,6.536712052,11.00810334,22.49245671,0.462079481,1.5246768,4.082873269,1.554033364,0.686566673,0.645669408,0.245756294,0.562652166,0.451320806,0.390838939,6.323473307,10.21503352,20.89471832,0.468504113,1.404811911 +UMLMON0243,L,1-ethylcyclohexene,CCC1=CCCCC1,73937,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C8H14,PubChem,,70.5,0,0.2605,0.06786025,30.385,20.321516,0,0,19,7,12,0,7,0,0,0,0,0,0,0,0,0,1022.041615,1155.133903,1415.474264,894.974644,498.498674,137.327904,12.192768,0,0,3337.623245,4341.457709,6015.190369,5028.739183,3180.159576,1644.706075,373.0049332,0,0,133.40518,138.195196,256.823648,308.879824,236.458568,178.671744,80.621568,0,0,24.85765486,32.88483172,48.80792084,45.66340132,30.50831544,18.24924958,5.335354858,0,0,3106.572317,2725.031065,5524.351915,7109.005898,5662.231908,4489.90791,2219.011824,0,0,31.77777778,39.08333333,62.41666667,67.66666667,50,33,12,0,0,53.79166395,60.79652121,39.31872956,20.34033282,14.66172571,5.281842462,1.016064,0,0,175.6643813,228.4977741,167.0886214,114.2895269,93.53410519,63.25792595,31.08374443,0,0,7.021325263,7.273431368,7.133990222,7.019996,6.954663765,6.871990154,6.718464,0,0,1.308297624,1.730780617,1.355775579,1.037804576,0.897303395,0.701894215,0.444612905,0,0,163.5038062,143.4226876,153.4542199,161.5683159,166.5362326,172.6887658,184.917652,0,0,1.67251462,2.057017544,1.733796296,1.537878788,1.470588235,1.269230769,1,0,0,0.034329708,0.002770763,-0.011960057,-0.016100604,-0.003842859,0.003214467,0.008753434,0,0,535.2391977,5.47E-13,-90.21262166,-264.6013327,-91.21871038,-18.78032273,197.1933886,0,0,995.3001436,-1.14E-13,-167.7542222,-492.037477,-169.6250871,-34.92281206,366.6895266,0,0,0.104849684,1.51E-15,-0.017672033,-0.051833584,-0.017869119,-0.003678936,0.038628831,0,0,4.449454733,3.83E-15,-0.749939426,-2.199636456,-0.758303062,-0.156121219,1.639272796,0,0,24.16950873,7.99E-14,-4.073682862,-11.94846014,-4.119114269,-0.848052938,8.904555847,0,0,2.298245614,0.054093567,-0.475915666,-0.667282241,-0.633117882,-0.150815636,0.723915051,0,0,0.001806827,1.46E-04,-3.32E-04,-3.66E-04,-1.13E-04,1.24E-04,7.29E-04,0,0,28.17048409,2.88E-14,-2.505906157,-6.013666652,-2.682903247,-0.722320105,16.43278239,0,0,52.38421809,-5.98E-15,-4.659839506,-11.18266993,-4.988973151,-1.343185079,30.55746055,0,0,0.005518404,7.95E-17,-4.91E-04,-0.001178036,-5.26E-04,-1.41E-04,0.003219069,0,0,0.234181828,2.02E-16,-0.020831651,-0.049991738,-0.022303031,-0.006004662,0.136606066,0,0,1.272079407,4.21E-15,-0.113157857,-0.271555912,-0.12115042,-0.032617421,0.742046321,0,0,0.120960295,0.00284703,-0.01321988,-0.015165505,-0.018621114,-0.005800601,0.060326254,0,0,0.080710359,-0.183871415,-0.202522355,-0.062554559,0.068425688,0.403720407,0,0,1.02E-15,-0.088955026,-0.213474026,-0.095238095,-0.025641026,0.583333333,0,0,-1.14E-16,-0.088955026,-0.213474026,-0.095238095,-0.025641026,0.583333333,0,0,1.44E-14,-0.088955026,-0.213474026,-0.095238095,-0.025641026,0.583333333,0,0,8.61E-16,-0.088955026,-0.213474026,-0.095238095,-0.025641026,0.583333333,0,0,3.31E-15,-0.088955026,-0.213474026,-0.095238095,-0.025641026,0.583333333,0,0,0.023536896,-0.109291066,-0.125375896,-0.15394402,-0.04795459,0.498727735,0,0,1.13274714,1.329657001,1.21871547,0.946942311,0.607318117,3.02E-05,0,0,1.285714286,1.1875,1.156655844,0.957983193,0.782967033,0,0,0,1.285714286,1.1875,1.156655844,0.957983193,0.782967033,0,0,0,1.285714286,1.1875,1.156655844,0.957983193,0.782967033,0,0,0,1.285714286,1.1875,1.156655844,0.957983193,0.782967033,0,0,0,1.285714286,1.1875,1.156655844,0.957983193,0.782967033,0,0,0,1.270992366,1.075699746,1.033396947,1.209362371,0.828391075,0,0,0,22.33131976,11.16565988,16.59450323,22.33131976,3.190188537,11.16570537,0,0.012010821,0.001715832,-3.095363085,30.70247468,4.386067811,2.397040282,22.33131976,11.16565988,16.59450323,22.33131976,3.190188537,11.16570537,0,0.012010821,0.001715832,-3.095363085,30.70247468,4.386067811,2.397040282,22.33131976,11.16565988,16.59450323,22.33131976,3.190188537,11.16570537,0,0.012010821,0.001715832,-3.095363085,30.70247468,4.386067811,2.397040282,22.33131976,11.16565988,16.59450323,22.33131976,3.190188537,11.16570537,0,0.012010821,0.001715832,-3.095363085,30.70247468,4.386067811,2.397040282,22.33131976,11.16565988,16.59450323,22.33131976,3.190188537,11.16570537,0,0.012010821,0.001715832,-3.095363085,30.70247468,4.386067811,2.397040282,22.33131976,11.16565988,16.59450323,22.33131976,3.190188537,11.16570537,0,0.012010821,0.001715832,-3.095363085,30.70247468,4.386067811,2.397040282,23.399173,11.64403094,17.38784816,23.31980792,3.331401131,11.64405931,-0.111111111,0.144008003,0.020572572,-1.356520485,47.9471755,6.8495965,2.709069926,0,11.9,12.10010405,-0.140785442,0.060055051,5.567746159,8.12075542,7,19,18,18,6,1,1,0,0,1,13.118484,3.683512363,3.005424373,2.459820995,2.265102816,1.487699285,1.19006016,0.332938624,0.083923071,1.80842916,1.724171079,1.379547586,0.757863935,0.716241921,0.534766514,0.083923071,0.083923071,3.702706798,3.041063134,2.510897621,2.321187631,1.576939567,1.30885592,0.463238555,0.270913902,1.759483328,1.655976007,1.284890431,0.62194973,0.593769576,0.383336744,0.270913902,0.270913902,3.78938905,3.200914984,2.734801489,2.562151644,1.947412168,1.778468089,0.957943357,0.943918427,1.625890144,1.452583651,0.990535844,0.201782036,0.172849073,0.136070527,0.943918427,0.943918427,3.71696761,3.067513959,2.548571849,2.362287994,1.641687551,1.39352899,0.555069904,0.399277246,1.729245753,1.612285733,1.223144641,0.531260614,0.513074922,0.28095272,0.399277246,0.399277246,3.832995587,3.280011414,2.841861735,2.674787544,2.112559368,1.978039144,1.207644823,1.207644823,1.587349885,1.38842831,0.894476279,0.069253554,0.016182923,0.3258016,1.155503498,1.207644823,3.73450398,3.170989913,2.545858143,2.448149357,1.779452257,1.501208438,0.702521668,0.6,1.662497911,1.619242426,1.082548481,0.427824154,0.365161005,0.125409777,0.6,0.6,0,0,0,1,1,1,4,0,0,0,0,0.144337567,0.102062073,0.102062073,0,0,0.125,0.072168784,0.072168784,0.204124145,0,0,0,0.144337567,0,0,0,0.49279928,0.594861352,0.204124145,0.348461713,0.420630496,0.144337567,5.112884175,3.431851653,2.558730745,2.052095141,1.418611262,0.49279928,0.204124145,0,0.730412025,0.490264522,0.319841343,0.228010571,0.157623474,0.12319982,0.102062073,0,4.905777394,3.073132185,2.154030206,1.654030206,1.11779928,0.348461713,0.144337567,0,0.700825342,0.439018884,0.269253776,0.183781134,0.12419992,0.087115428,0.072168784,0,10.25096682,18.32702112,17.35294118,17.56,11.79132695,144.9122251,0.53952457,0.964580059,0.913312693,0.924210526,0.620596155,7.626959218,2.43289,31.955,22.87726984,33.16178179,45.75453968,6.536362811,22.87726984,0.106509552,0.01521565,-1.567664427,23.73191568,3.390273668,2.216774557,44,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,3,0,1,0,0,0,0,0,0,0,0,1,0,4,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.923611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,1.067361111,0.870833333,0,0.300694444,0,0,0,0,0,0,0,0,2.139537037,0,5.603518519,0,2.256944444,0,0,0,0,1.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.243402778,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.139537037,0,1.371527778,0,2.256944444,0,0,0,0,1.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.256944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.290277778,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.139537037,0,1.430231481,0,2.256944444,0,0,0,0,1.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.66666667,1.666666667,0.300694444,2.256944444,0.041666667,1.371527778,4.02212037,0.128472222,0.256944444,0.792962963,0.128472222,0.256944444,0.792962963,3.5,0.5,0,0,0.44737,0.7,0.43333,0.43333,0.7,0.01404,0.01404,0,0,0.71429,0,0,0.14286,0.14286,0,4.5,0.64286,3.5,0.5,1,0.14286,-2.5,-0.35714,0,0,5.56011,0.7943,6.53706,0.97695,0.13956,2.85606,0.40801,3.43185,0.57578,0.08225,-0.01785,-0.00255,0.06815,0.00974,0.263157895,7,0,0,0,0,0,0,0.714285714,0.949452015,2.034572366,2.945038698,2.945038698,2.945038698,2.774243303,18.03958829,38.65687495,55.95573525,55.95573525,55.95573525,52.71062276,0.223509467,0.47895647,0.69328836,0.69328836,0.69328836,0.653081601,3.298475498,2.213355148,1.302888816,1.302888816,1.302888816,1.473684211,0.219682511,0.470755719,0.681417792,0.681417792,0.681417792,0.641899458,6.790838447,16.93938967,17.85698043,17.85698043,17.85698043,17.68484856,27.3155423,17.47469193,17.50060573,17.50060573,17.50060573,17.90861771,5.142857143,2.34375,1.185185185,2,2,2,2.23,0.9433,0,1.850535862,0.5,0,5.676240019,3.789291416,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.076,0.353,0.392,3.54,8,9,9,4,2,0,0,0,0,46,2.197224577,2.48490665,2.63905733,2.63905733,2.197224577,1.609437912,0,0,0,0,4.17438727,1.391304348,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,0,2,4,1,1,0.444444444,0.222222222,0.125,0,0,0,0,0,0,0.142857143,0.055555556,0.055555556,0.0625,0,0,0,0,0,0,0.316468254,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,0,114.6354337,3.807354922,3.433987204,4.17438727,4.934473933,5.693732139,6.459904454,7.22329568,7.990576882,8.755107122,9.522446728,72.18791141,2.708050201,0,3.850147602,2.397895273,5.176149733,4.442651256,6.577861358,6.259581464,8.017966703,8.436416881,96.09390038,5.057573704,13.58523637,1.940748052,0,0,0,43,4,2.96,30,1.239457228,2.151698946,2.979603922,3.889938682,4.579829517,5.509673842,0,0,0,0,87.45856707,94.22851111,68.69177131,63.27338926,26.11997219,5.598181242,0,0,0,0,311.4935087,386.2651968,366.0341215,383.5035237,304.2675945,171.2612936,0,0,0,0,9.0538378,15.4077651,20.9842818,27.10519075,31.54200563,37.01654536,0,0,0,0,2.298669515,3.078134483,3.255184148,3.616060495,3.330961727,2.449672091,0,0,0,0,175.3549641,326.0923514,476.4144726,643.9687352,785.3521966,1018.83595,0,0,0,0,2.639310926,3.847187669,4.716610584,5.83666783,5.944091838,5.509673842,0,0,0,0,0.474273664,0.644668247,0.69506632,0.780450716,0.735298044,0.564190601,0,0,0,0,333.8880745,123.4624327,10.10433958,117.5865078,-43.48018817,-7.262850975,216.3015667,166.9426209,17.36719055,0.739550104,0.273464858,0.02238075,0.260449896,-0.096307057,-0.016086954,150.741979,55.74015024,4.56185249,53.0873195,-19.63019979,-3.27899261,0.15384097,0.23761053,3.702765778,10.37934521,451.4745823,0,1,0,457.6819865,21.39350337,7.706454286,577.9032487,24.03961831,8.329489377,710.6616996,26.65823887,8.923891954,1.567999467,1.406748628,340.9473622,276.4462749,91.28005873,1.233322324,3.73517904,3.028550581,3.660589129,3.387704423,6.50664836,0.920665898,4.920225518,5.90497026,1.826471591,7.409141201,12.89954964,4.179194668,6.817005128,5.988206283,3.167199234,2.847746902,0.702074193,1.099814786,2.69E-11,1.40E-43,1.41E-97,2.72E-173,1.02E-270,0,0,0,0,0,0,0,0,0,0,0,0,0,0.412926721,5.900650084,0.149904828,5.238958527,1.38637208,1.023939393,0.616717179,0.320010618,0.14686107,0.140194018,0.005015209,0.007746085,1.89E-13,9.86E-46,9.90E-100,1.92E-175,7.17E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,1.332962497,5.900938876,0.486123463,5.385038135,2.95636206,1.572438613,1.107307003,1.118653014,0.461167162,0.517663966,0.051709256,0.080720183,1.97E-12,1.03E-44,1.03E-98,2.00E-174,7.47E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,4.644291915,5.904495981,1.721709223,7.171250455,11.91874939,3.952227778,6.163251139,5.514428507,2.87538465,2.620012739,0.62558397,0.979915174,2.40E-11,1.25E-43,1.25E-97,2.43E-173,9.07E-271,0,0,0,0,0,0,0,0,0,0,0,0,0,1.964538215,5.901313212,0.718709842,5.573473242,4.265737321,1.977338583,1.674201354,1.773299647,0.766660643,0.828805556,0.112146069,0.175335023,4.29E-12,2.23E-44,2.24E-98,4.34E-174,1.62E-271,0,0,0,0,0,0,0,0,0,0,0,0,0,5.941883449,5.906964512,2.216771302,8.40920146,16.84435675,5.057933287,9.548869059,7.886335518,4.369047437,3.761317316,1.023679462,1.603976503,3.92E-11,2.04E-43,2.05E-97,3.97E-173,1.48E-270,0,0,0,0,0,0,0,0,0,0,0,0,0,2.961581622,5.624819979,1.094137712,5.937489488,6.605067696,2.700816785,2.942812931,3.168519812,1.363762343,1.576913886,0.252911643,0.395933323,9.68E-12,5.04E-44,5.06E-98,9.81E-174,3.66E-271,0,0,0,0,0,0,0,0,0,0,0,0,0,3.779939401,1.412017809,0.49489584,0.664680337,0.248295111,0.527299946,0.529738874,0.357466683,5.686853049,7.906819772,16.23510105,0.497020505,1.414505503,2.737521624,0.814868402,0.139481258,0.741499747,0.220719613,0.277864996,0.179332741,0.028783564,3.691871283,2.726211698,6.729226594,0.612249621,0.485981302,3.130803498,1.041758719,0.27408157,0.70408237,0.234279778,0.362453886,0.291455154,0.110550746,4.446643786,4.405164244,9.745736538,0.556123556,0.764459786,3.751950195,1.396140876,0.485402782,0.666007684,0.247828597,0.519540883,0.518137846,0.344000981,5.633493852,7.737148756,15.91330423,0.499011526,1.381679711,3.314635461,1.147085528,0.336765132,0.690766916,0.239051546,0.405939092,0.352331648,0.166495654,4.798486121,5.304722427,11.38364695,0.536150375,0.924766394,3.868341756,1.462119482,0.524864906,0.660653508,0.249707607,0.552193096,0.567151414,0.401645653,5.855326144,8.453749882,17.27770031,0.490980262,1.520990162,3.763194189,1.396130262,0.486272441,0.666571536,0.247295421,0.52265821,0.518219767,0.345127345,5.645596892,7.762746583,15.96317477,0.499857303,1.386005322 +UMLMON0244,L,ethylidenecyclopentane,CC=C1CCCC1,75068,,UML,[1],C7H12,PubChem,,66.6,0,1.7916,3.20983056,33.3186,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1128.97815,908.097796,655.971627,438.979298,129.199392,12.192768,0,3399.790734,4147.41404,5230.324054,5174.559544,4007.765156,2637.560239,1396.036119,373.0049332,0,146.842108,144.889944,255.179544,322.71592,331.339116,207.588872,124.924032,80.621568,0,25.74688067,32.32302034,44.11934665,47.22155854,39.0771832,25.38520679,14.69234634,5.335354858,0,3476.407621,2904.481805,5640.598507,7447.046097,8192.95574,5081.536821,3010.566693,2219.011824,0,41.27777778,45.91666667,63.16666667,76.83333333,70.33333333,50.66666667,34,12,0,48.76541633,51.7541979,31.36050417,19.74125643,13.66607556,14.63264327,7.177744,1.016064,0,161.8947969,207.370702,145.2867793,112.4904249,83.49510741,87.91867463,77.55756218,31.08374443,0,6.992481333,7.2444972,7.088320667,7.015563478,6.90289825,6.919629067,6.940224,6.718464,0,1.226041937,1.616151017,1.225537407,1.02655562,0.814107983,0.84617356,0.816241463,0.444612905,0,165.54322,145.2240902,156.6832919,161.8923065,170.6865779,169.3845607,167.2537052,184.917652,0,1.965608466,2.295833333,1.75462963,1.670289855,1.465277778,1.688888889,1.888888889,1,0,0.048614112,-0.008700041,-0.014862665,-0.011615173,0.011549405,0.001092174,-0.016595794,0.014825037,0,564.9747087,-53.80711511,-121.066009,-269.0355756,121.066009,40.35533633,-161.4213453,161.4213453,0,1050.594596,-100.0566282,-225.1274134,-500.283141,225.1274134,75.04247115,-300.1698846,300.1698846,0,0.110674667,-0.010540444,-0.023716,-0.052702222,0.023716,0.007905333,-0.031621333,0.031621333,0,4.696646663,-0.447299682,-1.006424285,-2.236498411,1.006424285,0.335474762,-1.341899046,1.341899046,0,25.51225921,-2.429738973,-5.466912688,-12.14869486,5.466912688,1.822304229,-7.289216918,7.289216918,0,5.701058201,-1.333018393,-0.146258503,-2.07797934,1.101284958,1.702191988,-3.188208617,1.091458806,0,0.002314958,-4.35E-04,-4.13E-04,-2.53E-04,2.41E-04,3.64E-05,-9.22E-04,0.00123542,0,26.90355756,-2.690355756,-3.362944694,-5.848599469,2.522208521,1.345177878,-8.967852519,13.45177878,0,50.0283141,-5.00283141,-6.253539262,-10.87572046,4.690154447,2.501415705,-16.6761047,25.01415705,0,0.005270222,-5.27E-04,-6.59E-04,-0.0011457,4.94E-04,2.64E-04,-0.001756741,0.002635111,0,0.223649841,-0.022364984,-0.02795623,-0.048619531,0.020967173,0.011182492,-0.074549947,0.111824921,0,1.214869486,-0.121486949,-0.151858686,-0.264102062,0.113894014,0.060743474,-0.404956495,0.607434743,0,0.271478962,-0.06665092,-0.004062736,-0.045173464,0.022943437,0.056739733,-0.177122701,0.0909549,0,-0.187909282,-0.178340968,-0.109074891,0.103938226,0.015726338,-0.398274459,0.533668395,0,-0.1,-0.125,-0.217391304,0.09375,0.05,-0.333333333,0.5,0,-0.1,-0.125,-0.217391304,0.09375,0.05,-0.333333333,0.5,0,-0.1,-0.125,-0.217391304,0.09375,0.05,-0.333333333,0.5,0,-0.1,-0.125,-0.217391304,0.09375,0.05,-0.333333333,0.5,0,-0.1,-0.125,-0.217391304,0.09375,0.05,-0.333333333,0.5,0,-0.245510441,-0.014965197,-0.16639766,0.084512761,0.20900232,-0.652436195,0.335034803,0,1.481441121,1.113287401,0.985567125,0.611971507,1.03906695,1.788735893,0.184404708,0,1.5,1.25,1.211180124,0.714285714,0.785714286,1.19047619,0,0,1.5,1.25,1.211180124,0.714285714,0.785714286,1.19047619,0,0,1.5,1.25,1.211180124,0.714285714,0.785714286,1.19047619,0,0,1.5,1.25,1.211180124,0.714285714,0.785714286,1.19047619,0,0,1.5,1.25,1.211180124,0.714285714,0.785714286,1.19047619,0,0,1.603016241,0.751160093,0.988247755,0.653712297,0.831554524,2.728538283,0,0,28.8318408,14.4159204,22.99572531,28.8318408,4.1188344,14.41592203,5.33E-15,0.004596284,6.57E-04,-3.767754927,27.30702869,3.901004098,2.315000891,28.8318408,14.4159204,22.99572531,28.8318408,4.1188344,14.41592203,5.33E-15,0.004596284,6.57E-04,-3.767754927,27.30702869,3.901004098,2.315000891,28.8318408,14.4159204,22.99572531,28.8318408,4.1188344,14.41592203,5.33E-15,0.004596284,6.57E-04,-3.767754927,27.30702869,3.901004098,2.315000891,28.8318408,14.4159204,22.99572531,28.8318408,4.1188344,14.41592203,5.33E-15,0.004596284,6.57E-04,-3.767754927,27.30702869,3.901004098,2.315000891,28.8318408,14.4159204,22.99572531,28.8318408,4.1188344,14.41592203,5.33E-15,0.004596284,6.57E-04,-3.767754927,27.30702869,3.901004098,2.315000891,28.8318408,14.4159204,22.99572531,28.8318408,4.1188344,14.41592203,5.33E-15,0.004596284,6.57E-04,-3.767754927,27.30702869,3.901004098,2.315000891,42.14051198,20.84009726,34.04653151,41.81171379,5.973101971,20.84009726,-0.46031746,0.054493426,0.007784775,-2.036772641,81.66712991,11.66673284,3.081856116,0,11.79,12.21004853,-0.306943849,0.113277173,5.124354143,7.527014309,6,20,19,19,5,1,1,0,0,1,15.304898,3.511226078,3.17815254,2.502088448,2.333552793,1.677874242,1.015006016,0.896816804,0.083923071,1.904201349,1.6454847,1.249629723,1.231382495,0.763969108,0.385956623,0.34663143,0.083923071,3.537288356,3.208963088,2.554193602,2.405454588,1.763317894,1.133260358,1.026852155,0.270913902,1.845884547,1.576555513,1.134540686,1.132557369,0.629753567,0.228859662,0.184781385,0.270913902,3.652665697,3.346285496,2.780430765,2.704236987,2.12037713,1.605401227,1.534042242,0.943918427,1.675845741,1.373967718,0.824629917,0.76031856,0.1873097,0.309713935,0.376347145,0.943918427,3.556530951,3.231775521,2.592501456,2.457539916,1.825430717,1.217909366,1.119088318,0.399277246,1.80887708,1.532624684,1.068063193,1.058262671,0.540284741,0.122704544,0.075018613,0.399277246,3.709296644,3.413920675,2.887519361,2.838982085,2.280978429,1.807406359,1.746688137,1.207644823,1.623314239,1.31125671,0.723786145,0.631337262,0.033240315,0.506710004,0.584946739,1.207644823,3.578882583,3.312890162,2.645054716,2.539329401,1.858686995,1.283366644,1.191743762,0.525,1.875843426,1.457098672,0.964329401,0.945970083,0.474060471,0.063858688,0.046206478,0.525,0,0,1,1,0,2,2,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.204124145,0.288675135,0.166666667,0.11785113,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,5.276020882,2.87944541,2.259872254,0.948141081,0.451184464,0.23570226,0,0,0.753717269,0.479907568,0.376645376,0.23703527,0.150394821,0.11785113,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,5,1,0,2,0,0,0,0,0,0,0,0,2,1,2,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.604861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.382708333,0.324097222,0,0,1.193194444,0.290277778,0,0.706805556,0,0,0,0,0,0,0,0,4.451388889,3.632638889,2.445601852,0,1.972222222,0,0.831481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.972222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.382708333,0.324097222,0,0,0.216944444,0.290277778,0,0.324097222,0,0,0,0,0,0,0,0,2.225694444,3.632638889,1.164351852,0,1.972222222,0,0.831481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.632638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.382708333,0.324097222,0,0,0.290277778,0.290277778,0,0.382708333,0,0,0,0,0,0,0,0,2.225694444,3.632638889,1.28125,0,1.972222222,0,0.831481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.904761905,0.382708333,3.632638889,0.216944444,0.831481481,5.162561111,0.501851852,0.632638889,2.168055556,0.501851852,0.632638889,2.168055556,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.76528,0.82361,7.02591,1.26063,0.18009,2.70517,0.38645,3.27005,0.56488,0.0807,0.14395,0.02056,0.14395,0.02056,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.258572884,3.272804327,3.272804327,3.272804327,2.854488382,19.28421252,47.43003057,68.72889087,68.72889087,68.72889087,59.94425603,0.209068641,0.51420985,0.745120175,0.745120175,0.745120175,0.64988208,3.474021589,2.133744538,1.119513095,1.119513095,1.119513095,1.53782904,0.209068641,0.51420985,0.745120175,0.745120175,0.745120175,0.64988208,6.73287657,17.32307969,18.34524753,18.34524753,18.34524753,13.32545619,27.64912502,16.73002464,15.60677914,15.60677914,15.60677914,13.09688347,7,4.166666667,6,7,2,6,2.23,1.0519,0.814325285,3.639717277,1.889881575,0,2.381101578,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.126,0.12,0.128,0.152,2.932,6,4,3,2,0,0,0,0,0,28,2.079441542,2.079441542,1.791759469,1.609437912,1.609437912,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,0,126.9918924,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,98.10955045,4.671883355,12.67036528,1.810052182,0,0,0,52,4,3.896,24,1.2236,2.129805771,2.90320683,3.525824063,4.552293614,5.738814291,6.52823228,0,0,0,73.7959167,75.34723427,65.53211699,60.1447077,79.75571867,43.44959456,6.633101803,0,0,0,278.2003652,333.6774204,348.5169226,332.9019736,445.8457672,462.1180758,202.9219038,0,0,0,8.897867644,15.15092507,20.41112829,24.44323811,31.63611931,39.90991728,43.85969355,0,0,0,2.110244062,2.757551346,3.109479509,3.118721633,4.155033289,4.820435855,2.902536317,0,0,0,175.6104775,329.820158,466.9705002,594.0132533,760.8327059,953.3652666,1207.185385,0,0,0,2.871720833,3.874587783,4.973170761,5.47840528,8.233662975,11.13145997,6.52823228,0,0,0,0.43759575,0.581389068,0.664519283,0.673569051,0.896074366,1.054366968,0.668490985,0,0,0,375.2784268,167.9524201,12.00918231,141.0472018,-63.12438232,-9.76167714,234.231225,231.0768024,21.77085945,0.7268251,0.325283912,0.023258931,0.2731749,-0.122256922,-0.018906048,193.7658696,86.7181389,6.200648606,72.82628513,-32.59273638,-5.040204086,0.126535804,0.229320633,2.611682677,5.956967169,516.3256286,0,1,0,393.1393776,19.82774263,7.32569526,529.3948196,23.00858143,8.089590956,609.0868159,24.67968427,8.476691927,1.789790272,1.789790272,499.1080606,451.9033891,75.96234525,1.104457441,6.570466709,5.949044723,4.063535081,4.466160583,7.717755953,0.728051603,4.149594424,4.863397538,3.333269437,16.50992002,6.317316331,4.080911794,5.548119764,10.2135394,3.544765911,3.725408709,1.273631101,2.097021497,1.603892999,0.017469281,6.94E-04,5.32E-27,7.87E-72,2.25E-138,1.24E-226,0,0,0,0,0,0,0,0,0,0,0,0.348257413,4.863167153,0.205800507,6.153933963,0.54389457,0.176453188,0.439703913,0.330510888,1.695926027,0.135318353,0.099487625,0.089595978,0.074438967,1.23E-04,4.89E-06,3.75E-29,5.55E-74,1.58E-140,8.71E-229,0,0,0,0,0,0,0,0,0,0,0,1.124191339,4.863183026,0.713068779,7.380494728,0.940378803,0.671866435,1.293698522,1.399192727,2.002303174,0.5523052,0.301149179,0.345892392,0.279942268,0.001282148,5.09E-05,3.91E-28,5.78E-73,1.65E-139,9.07E-228,0,0,0,0,0,0,0,0,0,0,0,3.916879296,4.863372414,3.095423953,15.5620307,5.687227932,3.735198161,5.168615549,9.272904767,3.4064601,3.393896772,1.188305557,1.919838597,1.472517222,0.015564815,6.18E-04,4.74E-27,7.01E-72,2.00E-138,1.10E-226,0,0,0,0,0,0,0,0,0,0,0,1.656845653,4.863203173,1.100223246,8.485952959,1.444743075,1.101494472,1.935980448,2.414484607,2.233705964,0.932329212,0.450868329,0.56739787,0.45269257,0.002784995,1.11E-04,8.48E-28,1.26E-72,3.58E-139,1.97E-227,0,0,0,0,0,0,0,0,0,0,0,5.011233796,4.863503078,4.266569845,20.37594115,8.96435816,5.48206711,7.029066127,14.07733772,4.08537327,5.079708284,1.604819334,2.814691954,2.133173501,0.025477303,0.001011965,7.76E-27,1.15E-71,3.28E-138,1.80E-226,0,0,0,0,0,0,0,0,0,0,0,2.28124299,3.447539503,1.497780426,8.952399171,2.038510543,1.510018192,3.017143174,3.648034555,2.711096597,1.685349913,0.728168894,0.845975295,0.713069388,0.004814972,1.91E-04,1.47E-27,2.17E-72,6.19E-139,3.41E-227,0,0,0,0,0,0,0,0,0,0,0,5.079413303,1.190441397,0.499803971,0.750320444,0.175849545,0.477890624,0.478812508,0.387114028,6.769658671,9.180442144,18.97228741,0.625480667,1.34381716,4.494378878,0.628754745,0.146756833,0.852841044,0.119310781,0.374876155,0.135674875,0.033068672,5.269890456,3.577716912,9.262321934,0.779261566,0.543619703,4.726451713,0.851207759,0.287890238,0.805798595,0.145119861,0.414223998,0.246713262,0.128329886,5.86554971,5.628946084,12.65273361,0.708697892,0.789267146,5.064901007,1.176488014,0.491139614,0.752302928,0.174746827,0.475181552,0.467784901,0.373849337,6.732528635,9.024188722,18.68331779,0.628454392,1.316815791,4.830017052,0.950688374,0.350354131,0.787794835,0.155061024,0.432425488,0.306957622,0.190291096,6.131059557,6.617135083,14.35696512,0.681692253,0.929674206,5.124856698,1.234133499,0.526912702,0.744253408,0.179226097,0.486424609,0.514157428,0.430078824,6.885902898,9.67539003,19.8938879,0.616380112,1.430660862,5.10925525,1.17587767,0.490273636,0.754088365,0.173550865,0.483538919,0.46727616,0.372519721,6.775406556,9.089294131,18.81019564,0.631132547,1.3233348 +UMLMON0245,L,5-Methyl-1-Hexene,CC(C)CCC=C,77058,,"Sandia, UML",[1],C7H14,PubChem,,64,0,0.399,0.159201,32.5422,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1323.6122,1631.364849,1131.100829,812.342836,472.25237,109.049472,8.128512,0,3823.307636,4994.447843,7096.043224,6472.99861,4546.018674,2888.518855,1290.897864,248.6699554,0,154.382624,159.970976,300.351492,413.273012,345.997264,208.786376,137.562624,53.747712,0,28.53578067,37.90082034,57.8334738,59.35940183,42.97962751,27.39200101,14.24370934,3.556903239,0,3603.201977,3158.070517,6384.963905,9602.081652,8472.872644,4986.151509,3443.992206,1479.341216,0,40.02777778,46.08333333,71.41666667,87.16666667,72.66666667,52,30,8,0,53.10626655,60.16419091,38.84202021,19.17120049,16.24685672,15.74174567,5.4524736,1.016064,0,173.7867107,227.0203565,168.9534101,109.7118408,90.92037348,96.28396182,64.54489321,31.08374443,0,7.017392,7.271408,7.151226,7.004627322,6.91994528,6.959545867,6.8781312,6.718464,0,1.297080939,1.722764561,1.376987471,1.006091556,0.85959255,0.9130667,0.712185467,0.444612905,0,163.781908,143.5486599,152.0229501,162.7471466,169.4574529,166.2050503,172.1996103,184.917652,0,1.819444444,2.09469697,1.700396825,1.47740113,1.453333333,1.733333333,1.5,1,0,0.049191036,-0.004881374,-0.021563587,-0.008314317,0.014111615,-0.010529294,-0.004707359,0.011288799,0,616.3360458,5.47E-13,-219.1194708,-299.1631131,184.1003773,-70.03818702,-32.01745693,128.0698277,0,1146.103196,7.11E-14,-407.4620128,-556.3065836,342.342513,-130.2389995,-59.53782835,238.1513134,0,0.120736,1.75E-15,-0.042924,-0.058604,0.036064,-0.01372,-0.006272,0.025088,0,5.123614541,1.08E-14,-1.82154478,-2.486949266,1.530430317,-0.582228925,-0.266161794,1.064647177,0,27.8315555,-2.75E-14,-9.894660155,-13.50914788,8.313321774,-3.162676762,-1.445795091,5.783180365,0,4.814393939,-0.09469697,-1.157024793,-0.579258494,1.300619835,-1.193870523,-1.245408632,0.562442608,0,0.002235956,-2.22E-04,-5.13E-04,-1.41E-04,2.82E-04,-3.51E-04,-2.35E-04,0.0014111,0,28.01527481,2.49E-14,-5.217130258,-5.07056124,3.682007546,-2.334606234,-1.600872846,16.00872846,0,52.0955998,3.23E-15,-9.701476494,-9.428925146,6.84685026,-4.341299984,-2.976891417,29.76891417,0,0.005488,7.96E-17,-0.001022,-9.93E-04,7.21E-04,-4.57E-04,-3.14E-04,0.003136,0,0.23289157,4.92E-16,-0.043370114,-0.042151682,0.030608606,-0.019407631,-0.01330809,0.133080897,0,1.265070705,-1.25E-15,-0.235587147,-0.228968608,0.166266435,-0.105422559,-0.072289755,0.722897546,0,0.218836088,-0.004304408,-0.027548209,-0.009817941,0.026012397,-0.039795684,-0.062270432,0.070305326,0,-0.099232996,-0.229619324,-0.063024771,0.126224432,-0.156969302,-0.105265016,0.631094594,0,8.88E-16,-0.18622449,-0.180992736,0.131428571,-0.083333333,-0.057142857,0.571428571,0,6.20E-17,-0.18622449,-0.180992736,0.131428571,-0.083333333,-0.057142857,0.571428571,0,1.45E-14,-0.18622449,-0.180992736,0.131428571,-0.083333333,-0.057142857,0.571428571,0,2.11E-15,-0.18622449,-0.180992736,0.131428571,-0.083333333,-0.057142857,0.571428571,0,-9.89E-16,-0.18622449,-0.180992736,0.131428571,-0.083333333,-0.057142857,0.571428571,0,-0.019669552,-0.12588513,-0.044864358,0.118867034,-0.18185156,-0.284552846,0.321269342,0,1.315186281,1.169182123,0.818899021,0.706214528,1.411047013,1.289571324,0.151455894,0,1.3125,1.325892857,1.118644068,0.70125,0.9625,0.825,0,0,1.3125,1.325892857,1.118644068,0.70125,0.9625,0.825,0,0,1.3125,1.325892857,1.118644068,0.70125,0.9625,0.825,0,0,1.3125,1.325892857,1.118644068,0.70125,0.9625,0.825,0,0,1.3125,1.325892857,1.118644068,0.70125,0.9625,0.825,0,0,1.283241542,0.800550747,0.696182107,0.685790716,1.890165224,1.853815893,0,0,32.52478503,16.26239252,25.35579446,32.52478503,4.065598129,16.26239283,1.42E-14,0.082732117,0.010341515,-1.993717914,44.83580716,5.604475895,3.04240567,32.52478503,16.26239252,25.35579446,32.52478503,4.065598129,16.26239283,1.42E-14,0.082732117,0.010341515,-1.993717914,44.83580716,5.604475895,3.04240567,32.52478503,16.26239252,25.35579446,32.52478503,4.065598129,16.26239283,1.42E-14,0.082732117,0.010341515,-1.993717914,44.83580716,5.604475895,3.04240567,32.52478503,16.26239252,25.35579446,32.52478503,4.065598129,16.26239283,1.42E-14,0.082732117,0.010341515,-1.993717914,44.83580716,5.604475895,3.04240567,32.52478503,16.26239252,25.35579446,32.52478503,4.065598129,16.26239283,1.42E-14,0.082732117,0.010341515,-1.993717914,44.83580716,5.604475895,3.04240567,32.52478503,16.26239252,25.35579446,32.52478503,4.065598129,16.26239283,1.42E-14,0.082732117,0.010341515,-1.993717914,44.83580716,5.604475895,3.04240567,42.64679479,21.04567156,33.22618248,42.39592673,5.299490841,21.04567156,-0.501736111,0.001260075,1.58E-04,-5.341267441,83.88695733,10.48586967,3.543576117,0,11.9,12.10012615,-0.151369992,0.048771545,5.291496289,8.476005233,8,22,21,21,7,1,1,0,0,1,15.304898,3.662218115,3.225846208,2.553522539,2.459820995,1.886670148,1.19006016,1.026700296,0.843440736,1.855634373,1.724171079,1.517171096,1.003122568,0.757863935,0.614075904,0.38311908,0.321736599,3.685276435,3.253892541,2.59619932,2.510897621,1.959761661,1.30885592,1.14299574,0.977305787,1.802602734,1.655976007,1.446969171,0.88920511,0.62194973,0.468509025,0.225290522,0.157371509,3.786873652,3.378890799,2.787551796,2.734801489,2.272916149,1.778468089,1.610144964,1.497057007,1.649506061,1.452583651,1.242411596,0.52927419,0.172849073,0.018403269,0.31761894,0.415245832,3.702270703,3.274651959,2.627902611,2.548571849,2.013350184,1.39352899,1.22645299,1.072105334,1.769091053,1.612285733,1.402370428,0.814416762,0.531260614,0.370931979,0.118533178,0.045726907,3.836554821,3.440584462,2.881570433,2.841861735,2.417544908,1.978039144,1.810922199,1.713934906,1.602639243,1.38842831,1.179745805,0.410138071,0.016182923,0.190415773,0.517285623,0.629578931,3.711444867,3.473730257,2.677150086,2.517084881,2.08657615,1.476397775,1.390409689,1.187268894,1.798758859,1.648648631,1.223794154,0.643981364,0.45326776,0.270993745,0.027666595,0.118221342,0,0,1,1,0,0,5,1,0,0,0,0.144337567,0.102062073,0.072168784,0,0,0.144337567,0.102062073,0.058925565,0.204124145,0,0,0,0.204124145,0,0,0,0.433012702,0.65464793,0.348461713,0.406526265,0.556186218,0.23570226,5.819990956,3.931851653,2.939157589,2.171668296,1.707286396,0.696923425,0.348461713,0.144337567,0.72749887,0.491481457,0.326573065,0.21716683,0.155207854,0.116153904,0.087115428,0.072168784,5.397341225,3.541241452,2.674859849,1.974744871,1.481767492,0.537457479,0.23570226,0.083333333,0.674667653,0.442655182,0.29720665,0.197474487,0.134706136,0.089576246,0.058925565,0.041666667,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.67889,36.502,28.3399353,42.00992493,56.67987059,7.084983824,28.3399353,0.132422925,0.016552866,-1.6174036,28.94593476,3.618241845,2.692343817,64,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,6,1,0,2,0,0,0,0,0,0,0,0,0,1,5,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.775740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.372708333,0.308472222,0,0,1.418819444,0.290277778,0,0.681180556,0,0,0,0,0,0,0,0,0,3.724166667,7.064537037,0,2.051574074,0,0.993055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.051574074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.372708333,0.308472222,0,0,0.216944444,0.290277778,0,0.308472222,0,0,0,0,0,0,0,0,0,3.724166667,1.25,0,2.051574074,0,0.993055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.724166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.372708333,0.308472222,0,0,0.290277778,0.290277778,0,0.372708333,0,0,0,0,0,0,0,0,0,3.724166667,1.456851852,0,2.051574074,0,0.993055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.83333333,1.729166667,0.372708333,3.724166667,0.216944444,0.993055556,5.585881204,0.340277778,0.724166667,1.551481481,0.340277778,0.724166667,1.551481481,4,0.5,0,0,0.44545,0.7,0.43333,0.43333,0.7,0.01212,0.01212,0,0,0.71429,0,0,0.125,0.125,0,5,0.625,4,0.5,1,0.125,-3,-0.375,0,0,6.59802,0.82475,7.89328,1.29526,0.16191,3.36697,0.42087,3.93185,0.56488,0.07061,-0.01785,-0.00223,0.06815,0.00852,0.227272727,8,0,0,0,0,0,0,0.75,0.945660305,2.149948196,3.004886164,3.368522528,3.277613437,3.277613437,20.8045267,47.2988603,66.10749561,74.10749561,72.10749561,72.10749561,0.212058483,0.482112605,0.673827165,0.755370374,0.734984571,0.734984571,3.513771314,2.309483423,1.454545455,1.090909091,1.181818182,1.181818182,0.209052139,0.475277716,0.664274347,0.744661521,0.724564728,0.724564728,6.786633838,15.99465439,18.85485954,19.22134137,18.13043228,18.13043228,31.28312609,22.27281892,18.32168256,17.65341839,18.99492654,18.99492654,6.125,3.111111111,1.8,3,2,3,2.34,1.0842,0,1.969259364,0.333333333,0,7.383136998,4.242640687,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.112,0.12,0.278,0.36,3.787,9,10,11,6,4,2,0,0,0,58,2.302585093,2.397895273,2.48490665,2.63905733,2.197224577,1.945910149,1.609437912,0,0,0,4.248495242,1.189655172,0.4,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,2,0.25,0,3,5,0.666666667,1,0.444444444,0.222222222,0.125,0.08,0,0,0,0,0,0.125,0.049382716,0.044444444,0.03125,0.04,0,0,0,0,0,0.29007716,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,0,131.9314183,4,3.555348061,4.290459441,5.056245805,5.814130532,6.588926478,7.353081921,8.129469765,8.896040502,9.672374832,75.35607734,2.833213344,0,3.970291914,2.397895273,5.283203729,4.442651256,6.680854679,6.259581464,8.12474302,8.529319371,110.1095504,5.004979566,15.59010547,1.948763183,0,0,0,67,5,4.125,34,1.340021709,2.41350245,3.233077098,3.993336318,5.217096557,6.247772257,7.571309665,0,0,0,99.9300888,104.5512648,71.24753346,79.90470072,96.30506326,37.69825355,7.692935184,0,0,0,349.3264646,437.8101234,380.2785719,410.9495863,547.9487087,430.6590884,235.3446546,0,0,0,9.805629928,17.32426794,22.70085869,27.76216526,36.43271103,43.10372949,50.86757142,0,0,0,2.553319293,3.504206498,3.406128452,3.739945859,5.057659329,4.668655472,3.366301984,0,0,0,188.5116474,362.2991139,522.3180137,667.1652446,857.8793252,1065.450679,1400.068806,0,0,0,2.871998287,4.175396642,4.85900156,6.116539186,9.442848529,9.763329023,7.571309665,0,0,0,0.525871984,0.734133318,0.728536705,0.803836657,1.087789128,1.028714876,0.77530211,0,0,0,313.7791326,147.0685216,10.94937795,81.8922884,-38.38297876,-6.084736434,231.8868442,185.4515003,17.03411439,0.793029559,0.371693566,0.027672906,0.206970441,-0.097007205,-0.015378256,124.1534353,58.19081092,4.332355934,32.40243812,-15.18704775,-2.407556311,0.120841565,0.218949556,2.240194338,5.56361996,395.671421,0,1,0,423.0736634,20.56875454,7.507096474,559.3291054,23.65013965,8.23927768,675.4014319,25.98848653,8.773791824,1.48472677,1.48472677,658.4559569,607.024828,108.2880557,1.084726566,6.080596358,5.605648972,4.476373959,4.57798827,8.976997812,0.960904503,4.149594424,3.613625303,3.113942626,12.96496409,10.28484916,9.059633236,6.130198732,12.28042333,3.382755525,3.638054029,4.464258667,3.625981442,1.803096583,0.530913911,1.431733632,0.103842129,0.94846531,1.32E-12,3.55E-46,1.84E-101,1.83E-178,3.53E-277,0,0,0,0,0,0,0,0,0.348257413,3.613414091,0.801241431,5.203619297,0.723407955,1.85843348,0.317832374,1.06557227,0.184588428,1.048450496,1.697941603,0.124633666,0.427320766,0.015089191,0.12015108,7.31E-04,0.006680119,9.30E-15,2.50E-48,1.29E-103,1.29E-180,2.49E-279,0,0,0,0,0,0,0,0,1.124191339,3.613428684,1.168843267,6.500402135,1.7220732,2.815878031,1.069102413,2.469034114,0.656605715,1.436229773,2.192525004,0.520722238,0.542374426,0.068126093,0.387865234,0.007621433,0.069611988,9.69E-14,2.60E-47,1.35E-102,1.35E-179,2.59E-278,0,0,0,0,0,0,0,0,3.916879296,3.613602283,2.935402767,12.38812166,9.362354584,8.437484677,5.620425396,11.28051683,3.123006108,3.429705024,4.270114422,3.298917367,1.660228102,0.480849785,1.351436726,0.09252147,0.845065516,1.18E-12,3.16E-46,1.64E-101,1.63E-178,3.15E-277,0,0,0,0,0,0,0,0,1.656845653,3.613447169,1.452209645,7.475959613,2.690599547,3.625297792,1.714033116,3.695457753,1.034313097,1.744238685,2.55284947,0.887226873,0.670576151,0.120049535,0.571644926,0.016554763,0.151206539,2.10E-13,5.65E-47,2.93E-102,2.92E-179,5.63E-278,0,0,0,0,0,0,0,0,5.011233796,3.613721991,3.816958335,15.21622291,14.08323988,11.56901761,8.192452285,16.33840259,4.417112385,4.466038188,5.211237212,4.964930859,2.398660651,0.737267964,1.729040067,0.151443976,1.383247517,1.93E-12,5.17E-46,2.68E-101,2.67E-178,5.15E-277,0,0,0,0,0,0,0,0,2.488252073,2.904059566,1.836649737,8.126609894,4.108535224,4.345587339,2.586763029,5.939250227,1.480402356,3.014772723,4.166522754,1.707242154,1.133913425,0.273293258,0.951857387,0.034729635,0.317210637,4.42E-13,1.19E-46,6.14E-102,6.13E-179,1.18E-277,0,0,0,0,0,0,0,0,5.982173212,1.231032251,0.778290034,0.748567426,0.154042789,0.463791944,0.346078566,0.424846593,7.991495497,12.97821408,26.70123053,0.622851139,1.234717103,5.260856028,0.725403205,0.258420961,0.842454035,0.116163388,0.358413881,0.117960879,0.048080551,6.244680195,5.363216692,12.59409377,0.763681053,0.524455312,5.535461064,0.917033326,0.457369047,0.801095581,0.132713669,0.396916203,0.189343612,0.149305543,6.909863437,8.027373483,17.25893472,0.701643371,0.735565358,5.963068102,1.217544189,0.764634719,0.750520166,0.15324183,0.460824064,0.338269093,0.410408763,7.94524701,12.75084438,26.24756802,0.625780248,1.20950192,5.662758115,1.006221277,0.549166471,0.784516997,0.139401627,0.415437617,0.228679364,0.214271242,7.218145864,9.360367581,19.70765724,0.676775495,0.858388223,6.042427438,1.273606092,0.821315408,0.742554791,0.156513639,0.473215243,0.371393686,0.471863421,8.137348937,13.70444346,28.1623667,0.613832186,1.316472349,6.019859594,1.214735085,0.764875906,0.75253225,0.151851935,0.469644972,0.336822296,0.410483087,7.999470584,12.84610181,26.43875396,0.628798374,1.216950354 +UMLMON0246,L,allylcyclopentane,C=CCC1CCCC1,77059,,UML,[1],C8H14,PubChem,,45.6,0,0.3366,0.11329956,27.6768,20.321516,0,0,19,7,12,0,7,0,0,0,0,0,0,0,0,0,1022.041615,1155.133903,1437.656312,923.253076,480.380882,109.049472,8.128512,0,0,3337.623245,4341.457709,6182.496113,5382.547393,3137.18881,1290.897864,248.6699554,0,0,133.40518,138.195196,257.621984,349.988944,262.534088,137.562624,53.747712,0,0,24.85765486,32.88483172,50.14578365,49.66894156,30.94890425,14.24370934,3.556903239,0,0,3106.572317,2725.031065,5460.761706,8154.921601,6465.492725,3443.992206,1479.341216,0,0,35.77777778,40.75,62.41666667,77,60,30,8,0,0,53.79166395,60.79652121,39.93489756,18.46506152,12.64160216,5.4524736,1.016064,0,0,175.6643813,228.4977741,171.7360031,107.6509479,82.55760027,64.54489321,31.08374443,0,0,7.021325263,7.273431368,7.156166222,6.99977888,6.908791789,6.8781312,6.718464,0,0,1.308297624,1.730780617,1.392938435,0.993378831,0.814444849,0.712185467,0.444612905,0,0,163.5038062,143.4226876,151.6878252,163.098432,170.1445454,172.1996103,184.917652,0,0,1.883040936,2.144736842,1.733796296,1.54,1.578947368,1.5,1,0,0,0.044475773,-0.006452118,-0.015629742,-0.003505805,-0.003472291,-0.004472427,0.011294498,0,0,535.2391977,5.47E-13,-179.4191546,-255.2111713,63.71895211,-28.17048409,131.4622591,0,0,995.3001436,-1.14E-13,-333.6375795,-474.576071,118.4881123,-52.38421809,244.4596844,0,0,0.104849684,1.51E-15,-0.035146981,-0.049994116,0.012482105,-0.005518404,0.025752554,0,0,4.449454733,3.83E-15,-1.491515214,-2.121575847,0.529696992,-0.234181828,1.092848531,0,0,24.16950873,7.99E-14,-8.101934317,-11.52443367,2.877322468,-1.272079407,5.936370565,0,0,4.614035088,-0.23245614,-1.056709757,0.202831641,-0.619883041,-1.231148046,0.630347799,0,0,0.00234083,-3.40E-04,-4.34E-04,-7.01E-05,-9.14E-05,-2.24E-04,0.001411812,0,0,28.17048409,2.88E-14,-4.983865406,-5.104223427,1.676814529,-1.408524204,16.43278239,0,0,52.38421809,-5.98E-15,-9.267710541,-9.49152142,3.118108219,-2.619210904,30.55746055,0,0,0.005518404,7.95E-17,-9.76E-04,-1.00E-03,3.28E-04,-2.76E-04,0.003219069,0,0,0.234181828,2.02E-16,-0.041430978,-0.042431517,0.013939395,-0.011709091,0.136606066,0,0,1.272079407,4.21E-15,-0.225053731,-0.230488673,0.075719012,-0.06360397,0.742046321,0,0,0.242843952,-0.012234534,-0.029353049,0.004056633,-0.016312712,-0.061557402,0.078793475,0,0,-0.145070405,-0.185472448,-0.029953523,-0.039035763,-0.095530798,0.603124613,0,0,1.02E-15,-0.176917989,-0.181190476,0.05952381,-0.05,0.583333333,0,0,-1.14E-16,-0.176917989,-0.181190476,0.05952381,-0.05,0.583333333,0,0,1.44E-14,-0.176917989,-0.181190476,0.05952381,-0.05,0.583333333,0,0,8.61E-16,-0.176917989,-0.181190476,0.05952381,-0.05,0.583333333,0,0,3.31E-15,-0.176917989,-0.181190476,0.05952381,-0.05,0.583333333,0,0,-0.050380228,-0.12087206,0.016704689,-0.067173638,-0.253485425,0.324461343,0,0,1.33245062,1.085728473,0.841339943,1.027352626,1.217110675,0.143575346,0,0,1.285714286,1.300595238,1.099285714,0.75,0.814285714,0,0,0,1.285714286,1.300595238,1.099285714,0.75,0.814285714,0,0,0,1.285714286,1.300595238,1.099285714,0.75,0.814285714,0,0,0,1.285714286,1.300595238,1.099285714,0.75,0.814285714,0,0,0,1.285714286,1.300595238,1.099285714,0.75,0.814285714,0,0,0,1.294676806,0.779626109,0.689201521,1.33460076,1.657984791,0,0,0,23.27665866,11.63832933,17.73944786,23.27665866,3.325236951,11.6383582,1.78E-15,0.022398577,0.003199797,-2.659130503,31.4430322,4.491861743,2.413724185,23.27665866,11.63832933,17.73944786,23.27665866,3.325236951,11.6383582,1.78E-15,0.022398577,0.003199797,-2.659130503,31.4430322,4.491861743,2.413724185,23.27665866,11.63832933,17.73944786,23.27665866,3.325236951,11.6383582,1.78E-15,0.022398577,0.003199797,-2.659130503,31.4430322,4.491861743,2.413724185,23.27665866,11.63832933,17.73944786,23.27665866,3.325236951,11.6383582,1.78E-15,0.022398577,0.003199797,-2.659130503,31.4430322,4.491861743,2.413724185,23.27665866,11.63832933,17.73944786,23.27665866,3.325236951,11.6383582,1.78E-15,0.022398577,0.003199797,-2.659130503,31.4430322,4.491861743,2.413724185,23.27665866,11.63832933,17.73944786,23.27665866,3.325236951,11.6383582,1.78E-15,0.022398577,0.003199797,-2.659130503,31.4430322,4.491861743,2.413724185,30.95636411,15.23284583,23.40047382,30.74718043,4.392454348,15.23284658,-0.488095238,0.05939218,0.008484597,-1.9765149,28.47401388,4.067716268,2.344294314,0,11.9,12.10010405,-0.149682251,0.050498337,5.424496404,8.246004522,7,19,18,18,6,1,1,0,0,1,13.118484,3.65943775,3.062931799,2.459820995,2.276023046,1.252896619,1.19006016,0.775783793,0.083923071,1.816609684,1.724171079,1.359962127,0.757863935,0.673187849,0.480104826,0.27759317,0.083923071,3.6817759,3.093514313,2.510897621,2.327441441,1.356403366,1.30885592,0.911808362,0.270913902,1.764897389,1.655976007,1.2774331,0.62194973,0.536658724,0.326176078,0.11120858,0.270913902,3.780650548,3.229890323,2.734801489,2.556886468,1.780114764,1.778468089,1.440122043,0.943918427,1.617267415,1.452583651,1.031676803,0.172849073,0.090430226,0.202310649,0.468991783,0.943918427,3.698264013,3.116159632,2.548571849,2.365617407,1.431183072,1.39352899,1.008172626,0.399277246,1.732365443,1.612285733,1.22451373,0.531260614,0.445868815,0.222114728,0.001852194,0.399277246,3.829256076,3.297145086,2.841861735,2.668295565,1.978039144,1.965727632,1.660407845,1.207644823,1.572602879,1.38842831,0.954967524,0.016182923,0.062619991,0.396041538,0.686300785,1.207644823,3.716362572,3.327386356,2.502834505,2.388100927,1.5833016,1.464109918,1.127455658,0.567567568,1.742966149,1.663224988,0.98486971,0.465881597,0.35024952,0.079651004,0.150264406,0.567567568,0,0,1,1,0,0,4,1,0,0,0,0.144337567,0.102062073,0.102062073,0,0,0.144337567,0.083333333,0.058925565,0.204124145,0,0,0,0.166666667,0,0,0,0.49279928,0.594861352,0.204124145,0.353553391,0.416666667,0.11785113,5.112884175,3.431851653,2.558730745,2.052095141,1.418611262,0.49279928,0.204124145,0,0.730412025,0.490264522,0.319841343,0.228010571,0.157623474,0.12319982,0.102062073,0,4.690234444,3.058078205,2.280238966,1.733163248,1.193092357,0.333333333,0.11785113,0,0.670033492,0.436868315,0.285029871,0.192573694,0.132565817,0.083333333,0.058925565,0,10.25096682,18.32702112,17.35294118,17.56,11.79132695,144.9122251,0.53952457,0.964580059,0.913312693,0.924210526,0.620596155,7.626959218,2.28879,31.885,22.87726984,33.16178179,45.75453968,6.536362811,22.87726984,0.106509552,0.01521565,-1.567664427,23.73191568,3.390273668,2.216774557,44,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,5,1,0,2,0,0,0,0,0,0,0,0,0,1,4,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.832962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.370972222,0.300694444,0,0,1.228333333,0.290277778,0,0.671666667,0,0,0,0,0,0,0,0,0,3.742685185,5.639259259,0,2.090277778,0,0.861111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.090277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.370972222,0.300694444,0,0,0.225625,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,0,3.742685185,1.392361111,0,2.090277778,0,0.861111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.742685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.370972222,0.300694444,0,0,0.290277778,0.290277778,0,0.370972222,0,0,0,0,0,0,0,0,0,3.742685185,1.427268519,0,2.090277778,0,0.861111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.33333333,1.761904762,0.370972222,3.742685185,0.225625,0.861111111,4.859546852,0.472222222,0.742685185,1.665925926,0.472222222,0.742685185,1.665925926,3.5,0.5,0,0,0.44737,0.7,0.43333,0.43333,0.7,0.01404,0.01404,0,0,0.71429,0,0,0.14286,0.14286,0,4.5,0.64286,3.5,0.5,1,0.14286,-2.5,-0.35714,0,0,5.28429,0.7549,6.53706,1.25276,0.17897,2.89384,0.41341,3.43185,0.53801,0.07686,-0.01785,-0.00255,0.06815,0.00974,0.263157895,7,0,0,0,0,0,0,0.714285714,0.949452015,2.075074223,2.668980145,3.090032777,2.984769619,3.090032777,18.03958829,39.42641024,50.71062276,58.71062276,56.71062276,58.71062276,0.223509467,0.488490968,0.628301716,0.727421258,0.702641373,0.727421258,3.298475498,2.17285329,1.578947368,1.157894737,1.263157895,1.157894737,0.219682511,0.480126966,0.617543857,0.714966262,0.690610661,0.714966262,6.790838447,14.66606636,17.57876171,18.00310909,16.7399512,18.00310909,27.3155423,21.23940132,17.56411273,17.1465506,18.56629429,17.1465506,5.142857143,2.34375,1.185185185,2,2,2,2.23,0.9433,0,1.850535862,0.5,0,5.676240019,3.789291416,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.112,0.12,0.278,0.36,3.288,8,9,9,4,2,0,0,0,0,46,2.197224577,2.302585093,2.48490665,2.48490665,1.945910149,1.609437912,0,0,0,0,4.043051268,1.217391304,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,1,0.142857143,0,2,4,1,1,0.444444444,0.222222222,0.125,0,0,0,0,0,0,0.142857143,0.055555556,0.055555556,0.0625,0,0,0,0,0,0,0.316468254,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,0,114.6354337,3.807354922,3.433987204,4.17438727,4.934473933,5.693732139,6.459904454,7.22329568,7.990576882,8.755107122,9.522446728,72.18791141,2.708050201,0,3.850147602,2.397895273,5.176149733,4.442651256,6.577861358,6.259581464,8.017966703,8.436416881,96.09390038,5.057573704,13.58523637,1.940748052,0,0,0,43,4,3.552,30,1.354288295,2.455621176,3.278372091,4.073059705,5.192731087,6.384067799,0,0,0,0,102.7261747,108.9714026,69.3889608,62.65577099,31.40588214,6.486621464,0,0,0,0,357.0927512,452.174673,378.0069417,373.6253577,358.4902805,198.4407319,0,0,0,0,9.915568617,17.63905951,23.00392985,28.24666694,35.82759086,42.89112968,0,0,0,0,2.602462111,3.604300186,3.409172496,3.561999774,3.884714368,2.838438929,0,0,0,0,190.1735604,367.7665751,530.6785087,685.0071937,885.3204314,1180.526828,0,0,0,0,2.963155911,4.337557339,5.182546375,6.767621572,8.125897941,6.384067799,0,0,0,0,0.535697692,0.754541774,0.730002111,0.771028429,0.855912361,0.653728543,0,0,0,0,289.4891236,119.2974001,10.26010898,77.99265562,-32.14048571,-5.629461154,211.496468,151.4378858,15.88957013,0.787764564,0.324634871,0.027920048,0.212235436,-0.08746144,-0.015319021,106.3819782,43.83962085,3.770403104,28.66087986,-11.81104288,-2.068724401,0.138091716,0.248406677,2.685232138,6.077778792,367.4817793,0,1,0,360.9920943,18.99979195,7.120315381,477.8734641,21.86031711,7.818155517,561.3050807,23.69187795,8.248968739,1.312537622,1.002890701,430.885055,379.1359522,101.2601115,1.136492207,4.255229911,3.744178697,4.081982338,4.3842948,7.758756593,0.769670368,3.591793317,2.665107996,2.513193645,11.16927597,7.368219772,9.128033712,5.132418878,6.820059892,3.478178888,2.296070445,0.463508421,0.782758515,1.728459382,0.001236473,0.002968086,1.37E-24,1.23E-67,2.11E-132,7.02E-219,0,0,0,0,0,0,0,0,0,0,0,0.301445031,2.664938889,0.766351903,4.02949324,0.778615621,2.307895778,0.231828381,0.395949036,0.280507863,0.100565991,0.280097176,0.005727226,0.020350505,8.71E-06,2.09E-05,9.68E-27,8.64E-70,1.49E-134,4.95E-221,0,0,0,0,0,0,0,0,0,0,0,0.973075264,2.664950589,1.045984319,5.064967267,1.466080596,3.216705783,0.812906713,1.161121947,0.753504573,0.38534404,0.299413837,0.05800035,0.147866982,9.08E-05,2.18E-04,1.01E-25,9.01E-69,1.55E-133,5.15E-220,0,0,0,0,0,0,0,0,0,0,0,3.390360553,2.665089571,2.379036111,10.58292657,6.732166978,8.539525187,4.684096195,6.233579469,3.21884215,2.103867911,0.445869335,0.697571229,1.545656419,0.001101675,0.002644511,1.22E-24,1.09E-67,1.88E-132,6.26E-219,0,0,0,0,0,0,0,0,0,0,0,1.434128364,2.664965396,1.260786867,5.901060897,2.133262875,3.984084721,1.336278816,1.848545002,1.131563421,0.629343538,0.318054763,0.125457431,0.301065563,1.97E-04,4.73E-04,2.19E-25,1.96E-68,3.37E-133,1.12E-219,0,0,0,0,0,0,0,0,0,0,0,4.337608177,2.66518538,3.040821619,13.50973402,9.987384438,11.50115603,6.960753169,9.210898099,4.510573702,3.07333217,0.536096977,1.14088109,2.494125033,0.00180328,0.004328674,2.00E-24,1.79E-67,3.08E-132,1.02E-218,0,0,0,0,0,0,0,0,0,0,0,2.127113163,2.078776257,1.472107771,6.467776756,3.035220515,5.36515387,2.096416571,2.868651684,1.668968434,1.407611731,0.46971766,0.2530341,0.624305311,3.98E-04,9.56E-04,4.43E-25,3.95E-68,6.81E-133,2.26E-219,0,0,0,0,0,0,0,0,0,0,0,4.435929688,1.293041101,0.798713604,0.679556397,0.198085726,0.444281607,0.34315179,0.436459325,6.527684393,10.31164631,21.42062367,0.519334596,1.223892722,3.695538025,0.796740153,0.25765476,0.77801899,0.167737137,0.308670355,0.129259824,0.045334095,4.749932939,4.101840389,9.610407759,0.667028484,0.483264274,3.975568541,0.984334158,0.462616795,0.733158921,0.181527085,0.357063118,0.19777627,0.146343425,5.422519495,6.207822204,13.44069441,0.599738381,0.701182813,4.416117436,1.27974642,0.784271535,0.681485366,0.197487605,0.440331686,0.336038474,0.42082742,6.480135391,10.11861437,21.03106856,0.522228048,1.197197581,4.106143299,1.071852202,0.55805479,0.715848553,0.186862414,0.38083294,0.234825966,0.213031331,5.736050291,7.290783928,15.4829331,0.573772829,0.828690237,4.498486819,1.3350249,0.844301009,0.673646747,0.199919488,0.456869455,0.366127636,0.487656703,6.677812727,10.93083174,22.67917178,0.51047012,1.310653794,4.457556681,1.275557722,0.784290062,0.683946609,0.195715599,0.448652733,0.333911355,0.420723669,6.517404465,10.18229549,21.15907195,0.525919913,1.203287757 +UMLMON0247,L,vinylcyclopentane,C=CC1CCCC1,77345,,UML,[1],C7H12,PubChem,,54.3,0,0.2644,0.06990736,36.6628,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,1985.508851,1424.714262,1178.679606,910.129924,270.591552,24.385536,0,4371.159516,5876.91121,8672.178832,8397.689886,6495.159214,5236.727032,3165.077171,746.0098663,0,188.796996,195.98202,384.613004,533.098968,510.880344,336.152848,330.469632,161.243136,0,33.10313229,45.14389758,71.20205987,77.28928517,61.68356844,48.11078435,34.72004754,10.67070972,0,4469.666941,3897.355064,8328.753616,12306.01719,12635.67418,7816.881401,8240.145211,4438.023649,0,40.80555556,49.75,84.69444444,109.8333333,94.33333333,72.33333333,62,24,0,48.76541633,56.15943233,36.76868243,18.74624029,15.92810278,18.96104008,5.637324,1.016064,0,161.8947969,217.6633782,160.5959043,110.4959196,87.77242182,109.0984798,65.93910774,31.08374443,0,6.992481333,7.258593333,7.122463037,7.014460105,6.903788432,7.003184333,6.884784,6.718464,0,1.226041937,1.671996207,1.318556664,1.016964279,0.833561736,1.002308007,0.723334324,0.444612905,0,165.54322,144.3464838,154.2361781,161.9212788,170.7523538,162.8516959,171.6696919,184.917652,0,1.511316872,1.842592593,1.568415638,1.445175439,1.274774775,1.506944444,1.291666667,1,0,0.036407027,-0.002758385,-0.006035972,-0.025114431,0.019990065,-0.009056288,-0.009903326,0.014674825,0,726.396054,7.32E-13,-121.066009,-511.1675936,349.7462482,-242.132018,-161.4213453,322.8426907,0,1350.764481,-5.26E-13,-225.1274134,-950.5379679,650.3680833,-450.2548269,-300.1698846,600.3397692,0,0.142296,2.04E-15,-0.023716,-0.100134222,0.068512889,-0.047432,-0.031621333,0.063242667,0,6.038545709,1.67E-14,-1.006424285,-4.24934698,2.907447934,-2.01284857,-1.341899046,2.683798093,0,32.80147613,-2.00E-13,-5.466912688,-23.08252024,15.79330332,-10.93382538,-7.289216918,14.57843384,0,2.483539095,-0.882716049,0.505144033,-1.904282884,1.598613016,-0.516003658,-0.921353452,0.878829447,0,0.001348408,-1.02E-04,-1.12E-04,-3.30E-04,2.70E-04,-1.89E-04,-2.06E-04,6.11E-04,0,26.90355756,2.71E-14,-2.24196313,-6.725889389,4.726300652,-5.044417042,-3.362944694,13.45177878,0,50.0283141,-1.95E-14,-4.169026175,-12.50707852,8.788757882,-9.380308893,-6.253539262,25.01415705,0,0.005270222,7.55E-17,-4.39E-04,-0.001317556,9.26E-04,-9.88E-04,-6.59E-04,0.002635111,0,0.223649841,6.19E-16,-0.018637487,-0.05591246,0.039289837,-0.041934345,-0.02795623,0.111824921,0,1.214869486,-7.40E-15,-0.101239124,-0.303717372,0.213423018,-0.227788029,-0.151858686,0.607434743,0,0.091982929,-0.032693187,0.009354519,-0.025056354,0.021602879,-0.010750076,-0.019194864,0.036617894,0,-0.075765194,-0.082895704,-0.245068956,0.200336941,-0.139922497,-0.153009502,0.453461299,0,1.01E-15,-0.083333333,-0.25,0.175675676,-0.1875,-0.125,0.5,0,-3.89E-16,-0.083333333,-0.25,0.175675676,-0.1875,-0.125,0.5,0,1.43E-14,-0.083333333,-0.25,0.175675676,-0.1875,-0.125,0.5,0,2.77E-15,-0.083333333,-0.25,0.175675676,-0.1875,-0.125,0.5,0,-6.09E-15,-0.083333333,-0.25,0.175675676,-0.1875,-0.125,0.5,0,-0.355426678,0.101698426,-0.272402215,0.234857476,-0.11687034,-0.208678542,0.398094449,0,1.520873574,1.204527356,1.254919335,0.594218109,1.211968415,0.985019798,0.003770525,0,1.444444444,1.283950617,1.254385965,0.644144144,1.173611111,0.902777778,0,0,1.444444444,1.283950617,1.254385965,0.644144144,1.173611111,0.902777778,0,0,1.444444444,1.283950617,1.254385965,0.644144144,1.173611111,0.902777778,0,0,1.444444444,1.283950617,1.254385965,0.644144144,1.173611111,0.902777778,0,0,1.444444444,1.283950617,1.254385965,0.644144144,1.173611111,0.902777778,0,0,1.884838442,0.786246893,1.281831858,0.471573479,1.411609362,1.199565037,0,0,42.54613705,21.27306852,32.79597792,42.54613705,4.727348561,21.27306852,-3.55E-15,0.093140969,0.010348997,-2.136277025,38.51270303,4.279189226,3.285889322,42.54613705,21.27306852,32.79597792,42.54613705,4.727348561,21.27306852,-3.55E-15,0.093140969,0.010348997,-2.136277025,38.51270303,4.279189226,3.285889322,42.54613705,21.27306852,32.79597792,42.54613705,4.727348561,21.27306852,-3.55E-15,0.093140969,0.010348997,-2.136277025,38.51270303,4.279189226,3.285889322,42.54613705,21.27306852,32.79597792,42.54613705,4.727348561,21.27306852,-3.55E-15,0.093140969,0.010348997,-2.136277025,38.51270303,4.279189226,3.285889322,42.54613705,21.27306852,32.79597792,42.54613705,4.727348561,21.27306852,-3.55E-15,0.093140969,0.010348997,-2.136277025,38.51270303,4.279189226,3.285889322,42.54613705,21.27306852,32.79597792,42.54613705,4.727348561,21.27306852,-3.55E-15,0.093140969,0.010348997,-2.136277025,38.51270303,4.279189226,3.285889322,49.29554506,24.55672315,38.46880322,49.15391269,5.461545854,24.55672315,-0.182098765,0.068573383,0.007619265,-2.411865745,38.04029622,4.22669958,3.274781422,0,11.9,12.1001487,-0.151263352,0.048902479,5.88775,8.706006619,9,27,27,27,9,0,0,0,0,0,19.677726,3.67035156,3.30735289,2.611741372,2.459820995,2.333552793,1.939940647,1.19006016,1.087918023,1.909060306,1.724171079,1.631849751,1.249629723,1.076025404,0.757863935,0.618639605,0.409822876,3.693698125,3.339057099,2.656976232,2.510897621,2.405454588,2.012147868,1.30885592,1.200733612,1.852785695,1.655976007,1.5595295,1.134540686,0.964271368,0.62194973,0.474034522,0.254727255,3.796434422,3.478864239,2.857330602,2.734801489,2.704236987,2.319165248,1.778468089,1.654314269,1.689896758,1.452583651,1.343933251,0.76031856,0.608628977,0.172849073,0.008059292,0.277043866,3.710897652,3.362446215,2.690448623,2.548571849,2.457539916,2.064919952,1.39352899,1.281677891,1.817184625,1.612285733,1.5131701,1.058262671,0.8907424,0.531260614,0.377211026,0.149949692,3.846599067,3.546955627,2.954366278,2.841861735,2.838982085,2.460286319,1.978039144,1.84990392,1.639911954,1.38842831,1.276253248,0.631337262,0.489570447,0.016182923,0.177663259,0.472006011,3.697578615,3.443376398,2.744909458,2.713878329,2.592723429,2.153470112,1.541619699,1.406653016,1.792684284,1.571418394,1.425091662,0.807995976,0.755921785,0.386454146,0.224821534,0.017706976,0,0,0,0,0,2,5,2,0,0,0,0.144337567,0.102062073,0.058925565,0,0,0.144337567,0.102062073,0.058925565,0.612372436,0,0,0,0.612372436,0,0,0,0.642228525,1.041888478,0.804737854,0.642228525,1.041888478,0.804737854,6.690234444,4.2876937,3.780031565,2.279482726,1.912731898,0.842195333,0.451184464,0.23570226,0.743359383,0.476410411,0.343639233,0.207225702,0.147133223,0.105274417,0.075197411,0.058925565,6.690234444,4.2876937,3.780031565,2.279482726,1.912731898,0.842195333,0.451184464,0.23570226,0.743359383,0.476410411,0.343639233,0.207225702,0.147133223,0.105274417,0.075197411,0.058925565,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.2227,41.413,33.05508271,49.43288838,66.11016543,7.345573936,33.05508271,0.206757651,0.022973072,-1.418587145,37.16847483,4.129830536,3.253914856,73,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,4.663333333,0,7.491203704,0,0,0,2.01212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.331666667,0,1.472222222,0,0,0,0.924166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.331666667,0,1.512083333,0,0,0,1.087962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.16666667,1.574074074,0.2,2.331666667,0.2,0.924166667,6.480475278,0.409166667,0.331666667,1.375,0.409166667,0.331666667,1.375,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.22222,0.22222,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,9.78701,1.08745,9.78701,0,0,4.28768,0.47641,4.28768,0,0,0.12632,0.01404,0.21232,0.02359,0.185185185,9,0,0,0,0,0,0,1,0.918295834,1.396802669,2.653811356,3.291562502,3.06934028,2.671011113,24.79398752,37.71367206,71.65290661,88.87218755,82.87218755,72.11730005,0.193126721,0.293761455,0.558122848,0.692248239,0.645512702,0.561740128,3.836591668,3.358084833,2.101076146,1.463325,1.685547222,2.083876389,0.193126721,0.293761455,0.558122848,0.692248239,0.645512702,0.561740128,6.73287657,12.47495859,17.65405709,18.29679866,15.63013199,15.22868589,35.54887502,27.21134672,21.93972837,20.24973705,24.5939315,25.81286808,7.111111111,3.239669421,2.380165289,4,0,3,2.45,1.2681,0.5,2.626527804,2.309401077,0,5.676240019,5.296119205,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,4.165,11,11,13,8,6,4,0,0,0,71,2.302585093,2.48490665,2.48490665,2.63905733,2.197224577,1.945910149,1.609437912,0,0,0,4.276666119,1,0.4,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.222222222,4,0.444444444,0,3,5,0.666666667,2,0.444444444,0.472222222,0.195,0.16,0,0,0,0,0,0.222222222,0.04040404,0.078703704,0.0325,0.04,0,0,0,0,0,0.413829966,21.27306852,32.79597792,42.54613705,4.727348561,21.27306852,0.093140969,0.010348997,-2.136277025,38.51270303,4.279189226,3.285889322,0,151.8638616,4.169925001,3.713572067,4.442651256,5.241747015,5.993961427,6.796823718,7.557472902,8.359134887,9.124237673,9.924025204,79.15362615,2.944438979,0,4.143134726,2.397895273,5.484796933,4.442651256,6.898714534,6.259581464,8.35678967,8.731336361,126.1408506,4.671883355,17.42409916,1.936011018,0,0,0,93,6,4.999,40,1.322351022,2.339037584,3.150613129,3.811669306,4.940278107,5.798721669,6.945614187,0,0,0,92.70728943,97.30782746,66.89938648,74.65708778,109.9581225,36.25218978,7.057188533,0,0,0,330.9230363,408.1136673,369.9443443,377.7530868,588.780594,409.235456,215.8956963,0,0,0,9.657429115,16.73405923,22.14699247,26.42642609,34.72382141,40.0511762,46.66385887,0,0,0,2.444790845,3.282923086,3.335467438,3.451147277,5.265679318,4.409304136,3.0881097,0,0,0,187.2021646,355.406357,506.7950286,642.6354128,795.2657159,985.2507986,1284.366667,0,0,0,2.513764036,3.781262599,4.605972979,5.034814005,7.687749235,7.722404396,6.945614187,0,0,0,0.50452745,0.688658123,0.713883624,0.742784589,1.125760175,0.970452217,0.711230893,0,0,0,346.5640082,160.8669974,8.837475207,57.23654566,-26.56788074,-3.152150801,289.3274625,187.4348781,11.98962601,0.858255406,0.39838231,0.021885743,0.141744594,-0.065794562,-0.007806207,139.9427384,64.95818263,3.568577383,23.11214884,-10.72812496,-1.272840239,0.064385198,0.134746272,0.400237423,1.165336849,403.8005538,0,1,0,464.5052698,21.55238432,7.744562373,638.8719193,25.2759158,8.612672499,802.5872019,28.32997003,9.293174172,1.615043136,1.615043136,790.637744,759.4826016,157.1101082,1.041021535,5.03237986,4.834078536,4.762210675,4.466160583,8.815691854,0.973886001,5.020209962,5.389914525,3.295831559,20.39309653,10.74939108,11.62121789,10.0219942,17.29506887,4.960071667,4.24596437,7.381171185,3.212167916,5.24900185,1.375891238,1.749204771,0.008954776,0.033814538,4.60E-21,1.22E-61,6.24E-124,6.16E-208,1.1712971325E-313,0,0,0,0,0,0,0,0,0.421311435,5.389573913,0.789967776,7.5972547,1.226368458,2.011295536,0.615946731,1.550964878,0.268295089,1.182148061,1.315075753,0.302430969,0.356434469,0.028838934,0.031591635,6.33E-05,2.38E-04,3.24E-23,8.59E-64,4.40E-126,4.34E-210,8.24954146E-316,0,0,0,0,0,0,0,0,1.360044669,5.389597382,1.149937399,9.624412094,2.23363015,3.081108448,1.93943612,3.571386862,0.947231357,1.650225387,2.223430413,0.651254739,0.909354177,0.150176727,0.177894824,6.58E-04,0.002481796,3.38E-22,8.96E-63,4.58E-125,4.52E-209,8.59665826E-315,0,0,0,0,0,0,0,0,4.738668689,5.389877379,3.088817868,19.40288025,9.835063853,10.71742413,9.235145926,15.90908129,4.574230056,4.002747638,6.89311395,2.947322135,4.791788108,1.239078473,1.571779765,0.007978672,0.030128145,4.10E-21,1.09E-61,5.56E-124,5.49E-208,1.04360465755E-313,0,0,0,0,0,0,0,0,2.004455605,5.389627168,1.442037831,11.1896155,3.203176757,4.08028856,3.025078966,5.312654319,1.496068056,2.018255254,2.944931081,0.96349121,1.421270882,0.279085554,0.338987762,0.001428169,0.005390792,7.34E-22,1.95E-62,9.95E-125,9.81E-209,1.8673090483E-314,0,0,0,0,0,0,0,0,6.062630571,5.390070557,4.123176243,24.29430031,14.51093881,15.32576461,13.17493289,22.90607073,6.500638744,5.209675228,9.320726103,4.29122961,7.120908547,1.944154478,2.488191362,0.013059095,0.049315326,6.71E-21,1.78E-61,9.10E-124,8.98E-208,1.7082267874E-313,0,0,0,0,0,0,0,0,3.339395028,4.932180527,1.90200019,14.73641694,5.493018891,6.199734384,5.275747846,9.332644307,2.618903631,3.058338574,4.680303631,1.698102399,2.779305338,0.628831755,0.784718083,0.003615108,0.013647501,1.86E-21,4.93E-62,2.52E-124,2.48E-208,4.727339015E-314,0,0,0,0,0,0,0,0,6.384276738,1.294949896,1.019212759,0.73395657,0.14887152,0.535364336,0.482310654,0.479220672,8.698439393,16.09408426,33.21868015,0.600934854,1.496895662,5.536773183,0.746188266,0.499224714,0.81636998,0.110021791,0.402486393,0.150757368,0.113282517,6.782186163,7.268084813,16.11280549,0.72455497,0.666526278,5.873228812,0.962486592,0.707544342,0.778606201,0.127595579,0.452949048,0.256912881,0.230643515,7.543259747,10.48947574,22.03241572,0.667909301,0.940505445,6.363280849,1.281207735,1.006509777,0.735554509,0.148099408,0.531841198,0.471454193,0.46751686,8.650998362,15.84693715,32.70369231,0.603331763,1.470812251,6.023264402,1.059631002,0.799606164,0.764131076,0.134428264,0.476423082,0.314813356,0.295366327,7.882501568,12.04596452,25.03190261,0.646196613,1.086602765,6.450013555,1.338017578,1.058933461,0.729065148,0.1512403,0.546471155,0.517205377,0.516620162,8.846964594,16.87723828,34.8630438,0.593597723,1.580296693,6.378826668,1.285163485,1.009787189,0.735415081,0.148166529,0.534449613,0.476025533,0.470145139,8.673777342,15.93683418,32.88868039,0.603122622,1.480620285 +UMLMON0248,L,Isobutylcyclopentane,CC(C)CC1CCCC1,77414,,"Sandia, UML",[1],C9H18,PubChem,,28.2,0,2.2846,5.21939716,31.8504,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1649.56345,1109.768356,333.2448,36.578304,0,0,0,3399.790734,4570.930941,6475.043557,6742.478727,4059.196059,1119.0148,0,0,0,146.842108,152.43046,276.627304,343.337872,452.998656,241.864704,0,0,0,25.74688067,35.11192034,51.48567672,60.15154964,45.39880544,16.00606457,0,0,0,3476.407621,3031.276161,6121.833801,7244.569524,11441.48253,6657.035473,0,0,0,35.375,42.3125,63,89,90,36,0,0,0,48.76541633,56.15943233,42.29649872,23.12017408,5.049163636,1.016064,0,0,0,161.8947969,217.6633782,166.0267579,140.4683068,61.50297059,31.08374443,0,0,0,6.992481333,7.258593333,7.093007795,7.152872333,6.863616,6.718464,0,0,0,1.226041937,1.671996207,1.320145557,1.253157284,0.687860689,0.444612905,0,0,0,165.54322,144.3464838,156.9700975,150.9285317,173.3557959,184.917652,0,0,0,1.68452381,2.014880952,1.615384615,1.854166667,1.363636364,1,0,0,0,0.025674808,-0.008814655,0.019788171,-0.035774146,-0.007944426,0.019907652,0,0,0,564.9747087,4.90E-13,282.4873543,-968.528072,-80.71067267,484.264036,0,0,0,1050.594596,-5.68E-14,525.297298,-1801.019308,-150.0849423,900.5096538,0,0,0,0.110674667,1.59E-15,0.055337333,-0.189728,-0.015810667,0.094864,0,0,0,4.696646663,7.33E-15,2.348323331,-8.051394279,-0.670949523,4.025697139,0,0,0,25.51225921,2.26E-14,12.75612961,-43.73530151,-3.644608459,21.86765075,0,0,0,3.18452381,-2.258928571,2.68707483,-2.088435374,-1.972789116,2.040816327,0,0,0,0.00122261,-4.20E-04,5.07E-04,-7.45E-04,-1.20E-04,5.53E-04,0,0,0,26.90355756,2.33E-14,7.243265496,-20.17766817,-1.22288898,13.45177878,0,0,0,50.0283141,-2.71E-15,13.46916149,-37.52123557,-2.274014277,25.01415705,0,0,0,0.005270222,7.57E-17,0.001418906,-0.003952667,-2.40E-04,0.002635111,0,0,0,0.223649841,3.49E-16,0.060213419,-0.167737381,-0.010165902,0.111824921,0,0,0,1.214869486,1.08E-15,0.327080246,-0.911152115,-0.05522134,0.607434743,0,0,0,0.151643991,-0.107568027,0.068899355,-0.04350907,-0.029890744,0.056689342,0,0,0,-0.343319235,0.415004817,-0.609593218,-0.098453388,0.45230317,0,0,0,8.68E-16,0.269230769,-0.75,-0.045454545,0.5,0,0,0,-5.41E-17,0.269230769,-0.75,-0.045454545,0.5,0,0,0,1.44E-14,0.269230769,-0.75,-0.045454545,0.5,0,0,0,1.56E-15,0.269230769,-0.75,-0.045454545,0.5,0,0,0,8.88E-16,0.269230769,-0.75,-0.045454545,0.5,0,0,0,-0.709345794,0.454349389,-0.286915888,-0.1971113,0.373831776,0,0,0,1.777780449,0.510731536,1.843186809,0.973865361,0,0,0,0,1.428571429,0.879120879,1.964285714,0.779220779,0,0,0,0,1.428571429,0.879120879,1.964285714,0.779220779,0,0,0,0,1.428571429,0.879120879,1.964285714,0.779220779,0,0,0,0,1.428571429,0.879120879,1.964285714,0.779220779,0,0,0,0,1.428571429,0.879120879,1.964285714,0.779220779,0,0,0,0,2.224299065,0.342199856,1.553738318,1.141886151,0,0,0,0,23.09054275,11.54527138,16.10682419,23.09054275,3.298648965,11.54529609,3.55E-15,1.11E-16,1.59E-17,-25.7157604,2000015.319,285716.4741,10.15606578,23.09054275,11.54527138,16.10682419,23.09054275,3.298648965,11.54529609,3.55E-15,1.11E-16,1.59E-17,-25.7157604,2000015.319,285716.4741,10.15606578,23.09054275,11.54527138,16.10682419,23.09054275,3.298648965,11.54529609,3.55E-15,1.11E-16,1.59E-17,-25.7157604,2000015.319,285716.4741,10.15606578,23.09054275,11.54527138,16.10682419,23.09054275,3.298648965,11.54529609,3.55E-15,1.11E-16,1.59E-17,-25.7157604,2000015.319,285716.4741,10.15606578,23.09054275,11.54527138,16.10682419,23.09054275,3.298648965,11.54529609,3.55E-15,1.11E-16,1.59E-17,-25.7157604,2000015.319,285716.4741,10.15606578,23.09054275,11.54527138,16.10682419,23.09054275,3.298648965,11.54529609,3.55E-15,1.11E-16,1.59E-17,-25.7157604,2000015.319,285716.4741,10.15606578,32.34597464,16.01584446,23.37185894,32.12148484,4.588783549,16.01584468,-0.314285714,6.66E-16,9.52E-17,-24.46152877,2000013.568,285716.224,10.15606517,0,11.89,12.11009426,-0.155286716,0.066851017,6.185439617,8.517906142,7,21,21,21,7,0,0,0,0,0,15.304898,3.84323467,2.811343844,2.333552793,2.333552793,2.186424417,0.826919852,0.083923071,0.083923071,1.761317652,1.631370952,1.249629723,1.249629723,1.057361847,0.033896879,0.083923071,0.083923071,3.858333379,2.858824545,2.405454588,2.405454588,2.255594213,0.927600459,0.270913902,0.270913902,1.699434879,1.556161807,1.134540686,1.134540686,0.94353844,0.111524236,0.270913902,0.270913902,3.927115266,3.066011697,2.704236987,2.704236987,2.546604864,1.326264019,0.943918427,0.943918427,1.525672888,1.335153762,0.76031856,0.76031856,0.576993532,0.403579617,0.943918427,0.943918427,3.869577972,2.893781183,2.457539916,2.457539916,2.305936366,0.999588442,0.399277246,0.399277246,1.660674591,1.508196398,1.058262671,1.058262671,0.868351891,0.166170653,0.399277246,0.399277246,3.962179982,3.164794217,2.838982085,2.838982085,2.679267088,1.493154729,1.207644823,1.207644823,1.474671104,1.267051166,0.631337262,0.631337262,0.452260987,0.51752171,1.207644823,1.207644823,3.788739335,3.011493707,2.631436576,2.631436576,2.381763414,1.010565642,0.583333333,0.583333333,1.6412727,1.462316012,0.881436576,0.881436576,0.781252379,0.10894566,0.583333333,0.583333333,0,0,0,0,0,4,1,0,2,0.176776695,0.707106781,0.707106781,0,0.176776695,0.176776695,0.707106781,0.707106781,0,0.176776695,1.914213562,0.353553391,0.957106781,0.353553391,1.914213562,0.353553391,0.957106781,0.353553391,3.121320344,1.414213562,0.176776695,3.121320344,1.414213562,0.176776695,5.707106781,2.957106781,3.944543648,2.414213562,0.707106781,0,0,0,0.815300969,0.422443826,0.303426434,0.201184464,0.176776695,0,0,0,5.707106781,2.957106781,3.944543648,2.414213562,0.707106781,0,0,0,0.815300969,0.422443826,0.303426434,0.201184464,0.176776695,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.4425,32.179,15.72337305,23.18747466,31.44674609,4.492392299,15.72337339,5.55E-16,7.93E-17,-24.58915386,2000013.605,285716.2293,10.15606518,32,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,4,0,1,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,9.305555556,0,1.402777778,0,0,0,0,0,0,0,0,0,1.291666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.326388889,0,1.402777778,0,0,0,0,0,0,0,0,0,0.645833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.326388889,0,1.402777778,0,0,0,0,0,0,0,0,0,0.645833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,1.714285714,0.2,2.326388889,0,0.645833333,5.012597222,0.604166667,0.326388889,2.611111111,0.604166667,0.326388889,2.611111111,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.57143,0,0.28571,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,7.70465,1.10066,7.70465,0,0,2.95711,0.42244,2.95711,0,0,0.45689,0.06527,0.54289,0.07756,0.142857143,7,0,0,0,0,0,0,1,0.918295834,1.377890332,1.772338851,1.772338851,1.772338851,1.240103029,19.28421252,28.93569697,37.21911587,37.21911587,37.21911587,26.0421636,0.209068641,0.313704635,0.403508827,0.403508827,0.403508827,0.282334565,3.474021589,3.014427091,2.619978572,2.619978572,2.619978572,3.152214394,0.209068641,0.313704635,0.403508827,0.403508827,0.403508827,0.282334565,6.73287657,12.24801054,12.64554564,12.64554564,12.64554564,6.258715768,27.64912502,21.52784026,22.25049399,22.25049399,22.25049399,17.11861195,5.142857143,0.887573964,0.568047337,0,0,0,2.23,0.9863,2.289428485,2,0,5.656854249,0,0,2,0,0,1,0,0,0,0,0,0,0,0,0,0.003,0.173,0.158,0.119,0.206,2.799,13,12,4,0,0,0,0,0,0,43,2.079441542,2.63905733,2.564949357,1.609437912,0,0,0,0,0,0,3.784189634,1,0.333333333,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,0,2,3,0.5,4,2.888888889,0,0,0,0,0,0,0,0,0.571428571,0.288888889,0,0,0,0,0,0,0,0,0.86031746,11.54527138,16.10682419,23.09054275,3.298648965,11.54529609,1.11E-16,1.59E-17,-25.7157604,2000015.319,285716.4741,10.15606578,0,117.2718924,3.807354922,3.713572067,4.574710979,5.549076085,6.463029457,7.417580402,8.34877454,9.294773428,10.23196362,11.17460953,80.76809011,2.708050201,1.945910149,4.204692619,4.262679877,5.894402834,6.354370041,7.671826798,8.338783971,9.493637846,9.937985593,98.10955045,4.671883355,12.76776695,1.823966708,0,0,0,39,4,3.935,40,1.230755854,2.135365306,3.036742125,3.534403258,4.003565396,0,0,0,0,0,79.83322538,104.3074179,73.09476962,18.40092262,4.067878671,0,0,0,0,0,292.9249409,393.1938821,433.3061725,221.5634009,124.4458036,0,0,0,0,0,8.9678417,15.22860035,21.73065957,24.27876642,26.89780999,0,0,0,0,0,2.193649138,3.05106287,3.842085677,2.464659275,1.780036841,0,0,0,0,0,175.5207132,329.3367467,457.7563306,611.1178403,740.3299128,0,0,0,0,0,2.506119829,3.647226603,5.688608111,4.869694094,4.003565396,0,0,0,0,0,0.453834454,0.636711545,0.817470181,0.545658913,0.409965097,0,0,0,0,0,287.2769188,96.91984439,6.90010533,54.97224275,-18.54622096,-3.043630152,232.3046761,115.4660654,9.943735482,0.839379467,0.283185046,0.020161058,0.160620533,-0.054189237,-0.008893024,98.32028461,33.17073548,2.361555264,18.81420399,-6.347428574,-1.041679868,0.081786503,0.17578667,1.396767988,3.438573806,342.2491616,0,1,0,464.7615217,21.55832836,7.745986249,601.3553539,24.52254787,8.440672709,749.1596871,27.37078163,9.082208474,1.296969379,1.296969379,252.1956469,185.0151514,153.0717747,1.363108075,1.647564663,1.208682343,3.512132744,3.225180717,5.327961006,0.651988361,4.301416968,6.199486959,3.777763919,18.33566898,8.121145055,19.5184162,11.33665983,5.061490668,3.395877028,0.062486641,2.44E-20,2.20E-60,3.83E-122,1.29E-205,8.370599275618E-311,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.360988104,5.981572515,0.201313187,9.970807384,0.612088111,0.803523403,0.220420604,0.31495808,0.023917441,4.40E-04,1.72E-22,1.55E-62,2.70E-124,9.09E-208,5.8954815123E-313,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.165313549,5.996134452,0.726120222,11.48114567,1.785496558,3.14278986,1.160870473,1.089085128,0.249238163,0.004586166,1.79E-21,1.61E-61,2.81E-123,9.47E-207,6.143546279794E-312,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.060186704,6.175562026,3.486215137,17.75384776,7.534319786,17.84883097,10.18611288,4.702018271,3.025665295,0.055674472,2.17E-20,1.96E-60,3.42E-122,1.15E-205,7.4580532541363E-311,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.717457779,6.015014349,1.147318699,12.57647108,2.697703173,5.188315635,2.200952096,1.678321843,0.541378593,0.009961765,3.89E-21,3.50E-61,6.11E-123,2.06E-206,1.3344603461074E-311,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.194584097,6.300087975,4.939670848,20.5690647,10.43823713,26.29495713,16.13028833,6.470678062,4.952567492,0.091130894,3.56E-20,3.21E-60,5.59E-122,1.88E-205,1.22077323614033E-310,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.764936759,4.687917252,1.524280759,14.14357679,4.198799292,9.17283017,4.412638906,2.958562273,1.155541493,0.021262815,8.30E-21,7.48E-61,1.30E-122,4.39E-206,2.8483289201755E-311,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.082843529,1.869509079,0.869072076,0.431997525,0.387750344,0.553775503,0.663668356,0.358117514,4.821424684,7.328774175,15.53427417,0.229621803,1.575561373,1.447959305,1.122367513,0.440788829,0.48087137,0.372741417,0.26762554,0.23923796,0.092094473,3.011115647,2.758113832,6.485574132,0.28041918,0.598957973,1.700112029,1.41911025,0.610889357,0.455780468,0.380447126,0.368961551,0.382457579,0.176913857,3.730111636,4.318146099,9.522117747,0.254341391,0.928332987,2.067125241,1.851012274,0.858469018,0.432760209,0.387516171,0.545450219,0.650606802,0.349430191,4.776606533,7.189873859,15.25121824,0.23041457,1.545487212,1.81250783,1.551379901,0.686710011,0.447466756,0.383000238,0.419360732,0.457065288,0.223567334,4.050597742,5.121903599,11.10345313,0.245700491,1.099993354,2.132053466,1.92741747,0.902267413,0.429698891,0.388456088,0.58024646,0.705396481,0.386005144,4.96173835,7.772085439,16.44156279,0.227232469,1.671648085,2.074741469,1.858973666,0.858055182,0.432980158,0.38795133,0.549471506,0.656212719,0.349085217,4.791770317,7.232234409,15.33342897,0.231397231,1.554769442 +UMLMON0249,L,"1,1,2,2-tetramethylcyclopropane",CC1(CC1(C)C)C,77778,,UML,[1],C7H14,PubChem,,90.1,0,1.359,1.846881,26.1356,17.22793,0,0,16,6,10,0,6,0,0,0,0,0,0,0,0,0,875.745366,986.655606,921.130397,778.898404,229.104288,20.32128,0,0,0,2851.938855,3688.467574,4139.872837,3778.523424,2407.180283,621.6748886,0,0,0,112.427736,116.419416,191.895476,197.791888,202.02048,134.36928,0,0,0,21.17952905,27.8688431,34.42888639,32.5292122,24.93453953,8.892258097,0,0,0,2609.942657,2291.991614,4193.438456,4436.479404,4790.300031,3698.35304,0,0,0,32.05555556,36.13888889,48,54.33333333,46,20,0,0,0,54.73408538,61.66597537,34.11594063,27.81780014,7.900147862,1.016064,0,0,0,178.2461784,230.5292234,153.3286236,134.9472652,83.00621667,31.08374443,0,0,0,7.0267335,7.2762135,7.107239852,7.063996,6.966223448,6.718464,0,0,0,1.323720566,1.741802694,1.27514394,1.161757579,0.859811708,0.444612905,0,0,0,163.121416,143.2494759,155.3125354,158.445693,165.1827597,184.917652,0,0,0,2.003472222,2.258680556,1.777777778,1.94047619,1.586206897,1,0,0,0,0.034424578,-0.003401621,-0.006612291,-0.010113846,-0.017603812,0.020519282,0,0,0,453.9975338,3.69E-13,-115.3910398,-128.6326346,-323.4732428,340.4981503,0,0,0,844.2278004,1.85E-13,-214.5745659,-239.1978768,-601.5123078,633.1708503,0,0,0,0.088935,1.38E-15,-0.022604312,-0.02519825,-0.063366188,0.06670125,0,0,0,3.774091068,1.05E-15,-0.959248146,-1.069325803,-2.689039886,2.830568301,0,0,0,20.50092258,5.20E-14,-5.210651156,-5.808594731,-14.60690734,15.37569194,0,0,0,4.493055556,-1.048611111,0.88671875,-1.557291667,-2.48046875,1.953125,0,0,0,0.002151536,-2.13E-04,-2.45E-04,-3.61E-04,-6.07E-04,0.001025964,0,0,0,28.37484586,2.31E-14,-4.273742216,-4.594022663,-11.15424975,17.02490752,0,0,0,52.76423752,1.15E-14,-7.947206146,-8.542781314,-20.74180372,31.65854251,0,0,0,0.005558437,8.60E-17,-8.37E-04,-9.00E-04,-0.002185041,0.003335062,0,0,0,0.235880692,6.59E-17,-0.035527709,-0.038190207,-0.092725513,0.141528415,0,0,0,1.281307661,3.25E-15,-0.19298708,-0.207449812,-0.50368646,0.768784597,0,0,0,0.280815972,-0.065538194,0.032841435,-0.05561756,-0.085533405,0.09765625,0,0,0,-0.098813738,-0.113825499,-0.167884143,-0.282137023,0.476851898,0,0,0,8.14E-16,-0.150617284,-0.161904762,-0.393103448,0.6,0,0,0,2.19E-16,-0.150617284,-0.161904762,-0.393103448,0.6,0,0,0,1.55E-14,-0.150617284,-0.161904762,-0.393103448,0.6,0,0,0,2.79E-16,-0.150617284,-0.161904762,-0.393103448,0.6,0,0,0,2.53E-15,-0.150617284,-0.161904762,-0.393103448,0.6,0,0,0,-0.233384853,0.116950026,-0.198056966,-0.304588818,0.347758887,0,0,0,1.258607507,1.07966621,1.229571022,1.209486899,0.060409177,0,0,0,1.25,1.185185185,1.142857143,1.24137931,0,0,0,0,1.25,1.185185185,1.142857143,1.24137931,0,0,0,0,1.25,1.185185185,1.142857143,1.24137931,0,0,0,0,1.25,1.185185185,1.142857143,1.24137931,0,0,0,0,1.25,1.185185185,1.142857143,1.24137931,0,0,0,0,1.47797527,0.549544908,1.569882976,1.295102063,0,0,0,0,17.48025911,8.740129556,13.58907433,17.48025911,2.913376519,8.740557167,1.78E-15,0.0152078,0.002534633,-2.511568091,18.51548822,3.085914703,1.75116455,17.48025911,8.740129556,13.58907433,17.48025911,2.913376519,8.740557167,1.78E-15,0.0152078,0.002534633,-2.511568091,18.51548822,3.085914703,1.75116455,17.48025911,8.740129556,13.58907433,17.48025911,2.913376519,8.740557167,1.78E-15,0.0152078,0.002534633,-2.511568091,18.51548822,3.085914703,1.75116455,17.48025911,8.740129556,13.58907433,17.48025911,2.913376519,8.740557167,1.78E-15,0.0152078,0.002534633,-2.511568091,18.51548822,3.085914703,1.75116455,17.48025911,8.740129556,13.58907433,17.48025911,2.913376519,8.740557167,1.78E-15,0.0152078,0.002534633,-2.511568091,18.51548822,3.085914703,1.75116455,17.48025911,8.740129556,13.58907433,17.48025911,2.913376519,8.740557167,1.78E-15,0.0152078,0.002534633,-2.511568091,18.51548822,3.085914703,1.75116455,24.45243391,12.00260585,19.44222393,24.15428577,4.025714294,12.00262081,-0.447222222,0.118564202,0.0197607,-1.279380407,20.58909628,3.431516047,1.814856977,0,11.9,12.1000824,-0.145991075,0.054086698,5.702487544,7.49202057,6,16,15,15,5,1,1,0,0,1,10.93207,3.733404529,3.068078893,2.227823272,1.456797487,1.334096639,0.376702921,0.083923071,0.083923071,1.759224149,1.372874417,1.193640145,1.056451988,0.395097691,0.083923071,0.083923071,0.083923071,3.75211214,3.099680863,2.29680112,1.556142907,1.421894781,0.498625911,0.270913902,0.270913902,1.706430084,1.285229005,1.091559064,0.949442114,0.238027945,0.270913902,0.270913902,0.270913902,3.835876696,3.242668026,2.585047345,1.9628467,1.79632903,0.960746853,0.943918427,0.943918427,1.56179717,1.018928274,0.779353883,0.604699985,0.300856795,0.943918427,0.943918427,0.943918427,3.765970253,3.123197615,2.346878639,1.62787375,1.486273193,0.584491656,0.399277246,0.399277246,1.673750678,1.228596505,1.025193387,0.878901005,0.131857305,0.399277246,0.399277246,0.399277246,3.877656294,3.314239764,2.715621929,2.141548494,1.966920643,1.207644823,1.207644823,1.207644823,1.520004,0.933903671,0.681113237,0.485915277,0.498019637,1.145153538,1.207644823,1.207644823,3.733814583,3.220686639,2.581873212,1.6420344,1.496497854,0.656311392,0.545454545,0.545454545,1.620003441,1.278398037,1.012754126,0.645086902,0.047702849,0.545454545,0.545454545,0.545454545,0,0,1,0,1,1,2,1,0,0.288675135,0.166666667,0,0,0,0.288675135,0.144337567,0,0,0,0.5,0,0.166666667,0,0.348461713,0,0.102062073,0,0.804737854,0.333333333,0,0.535074775,0.204124145,0,4.568914101,2.804530453,2.58144686,1.276142375,0.666666667,0,0,0,0.761485683,0.467421742,0.322680858,0.212690396,0.166666667,0,0,0,4.198670613,2.458725106,2.120626365,0.98559856,0.49279928,0,0,0,0.699778435,0.409787518,0.265078296,0.164266427,0.12319982,0,0,0,8.709139019,15.43918427,14.62745098,14.8,9.992772455,121.8839701,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,1.89869,27.268,12.74882884,19.44587626,25.49765768,4.249609614,12.74883489,0.169657342,0.028276224,-1.064384707,100.3505316,16.72508859,2.765201623,30,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,3,2,0,1,0,0,0,0,0,0,0,0,1,1,2,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.1875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.777083333,0.580555556,0,0.363194444,0,0,0,0,0,0,0,0,2.108796296,3.81712963,2.796296296,0,0,0,0.907407407,0,0,1.37037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.37037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.243402778,0.290277778,0,0.363194444,0,0,0,0,0,0,0,0,2.108796296,3.81712963,1.398148148,0,0,0,0.907407407,0,0,1.37037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.81712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.290277778,0.290277778,0,0.363194444,0,0,0,0,0,0,0,0,2.108796296,3.81712963,1.398148148,0,0,0,0.907407407,0,0,1.37037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.363194444,3.81712963,0.069444444,0.907407407,3.665087963,0.425925926,0.81712963,1.851851852,0.425925926,0.81712963,1.851851852,3,0.5,0,0,0.45,0.7,0.43333,0.43333,0.7,0.01667,0.01667,0,0,0.71429,0,0,0.33333,0.33333,0,4,0.66667,3,0.5,1,0.16667,-2,-0.33333,0,0,4.08391,0.68065,5.23292,1.14901,0.1915,2.2801,0.38002,2.80452,0.52442,0.0874,0.10948,0.01825,0.19548,0.03258,0.1875,6,0,0,0,0,0,0,0.666666667,0.954434003,2.25,2.952819531,2.952819531,2.702819531,2.202819531,15.27094405,36,47.2451125,47.2451125,43.2451125,35.2451125,0.238608501,0.5625,0.738204883,0.738204883,0.675704883,0.550704883,3.045565997,1.75,1.047180469,1.047180469,1.297180469,1.797180469,0.233502796,0.55046372,0.722408899,0.722408899,0.661246264,0.538920992,6.794779896,17.3818469,18.09016602,18.09016602,15.09016602,11.83820976,23.34095565,15.25,14.85845859,14.85845859,13.35845859,11.60845859,4.166666667,1.25,0.979591837,3,2,3,2.12,0.8024,0.5,1.333333333,2.828427125,0,1,2.828427125,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.108,0.254,0.368,2.766,8,6,4,0,0,0,0,0,0,30,2.079441542,2.397895273,2.197224577,1.945910149,0,0,0,0,0,0,3.63758616,1.233333333,0.333333333,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,2,0.333333333,0,2,3,0.5,1.5,0.5,0.444444444,0,0,0,0,0,0,0,0.25,0.1,0.111111111,0,0,0,0,0,0,0,0.461111111,9.608834689,14.63215581,19.21766938,3.202944896,9.60899955,0.04957236,0.00826206,-1.802593111,18.40949036,3.068248393,1.747719787,0,97.33944905,3.584962501,3.36729583,4.143134726,4.96284463,5.771441123,6.597145702,7.41397029,8.240385116,9.060098709,9.885985277,71.4423014,2.564949357,1.945910149,3.80666249,3.713572067,5.262690189,5.476463552,6.803505258,7.21303166,8.383204551,8.877242436,82.07825032,5.129890645,10.97733173,1.829555289,0,0,0,28,4,2.476,28,1.223867059,2.14835643,3.003259,3.662760455,4.127172952,0,0,0,0,0,85.9416799,82.3746342,90.27542274,29.54224542,4.193471858,0,0,0,0,0,306.601603,354.7925027,424.5601798,308.6017961,128.2879893,0,0,0,0,0,8.938622866,15.32420608,21.25891546,25.53741409,27.7282629,0,0,0,0,0,2.264472386,2.892741443,3.60688515,3.18582766,1.834994355,0,0,0,0,0,173.2323476,329.7210261,472.6929049,603.2879319,763.1871317,0,0,0,0,0,2.823061292,3.980193638,5.975113836,5.8872687,4.127172952,0,0,0,0,0,0.467291002,0.608361485,0.764299984,0.695408683,0.42262251,0,0,0,0,0,233.7858061,77.66137062,7.726012702,61.98529203,-20.59091104,-4.176420013,171.8005141,98.25228166,11.90243272,0.790428164,0.262572547,0.026121595,0.209571836,-0.069617725,-0.014120447,69.1470846,22.96998887,2.285131261,18.33345789,-6.090196371,-1.235264334,0.160872432,0.299366674,3.640680751,7.155155423,295.7710981,0,1,0,421.1676574,20.52236968,7.495805995,520.9009603,22.82325481,8.046093087,591.1100216,24.3127543,8.392463107,1.687738298,1.627402386,221.9203829,164.8323155,81.86062247,1.346340262,2.710954012,2.013572711,3.32193874,3.413998351,5.504108134,0.612217572,3.944355152,3.948906504,2.798048102,9.243752498,7.046018103,8.996877835,7.238097805,5.45087073,1.131608689,1.480847831,2.09E-11,8.45E-44,6.58E-98,9.89E-174,2.87E-271,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331033141,3.947720637,0.155335632,4.961386416,0.441572412,1.38243857,0.352342341,0.228151475,0.00797003,0.010429732,1.47E-13,5.95E-46,4.63E-100,6.96E-176,2.02E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.068589197,3.94780005,0.55381739,5.473091713,1.121257301,2.339968365,1.305468798,0.887594616,0.08305372,0.108685853,1.53E-12,6.20E-45,4.83E-99,7.26E-175,2.10E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.723150167,3.948776367,2.58639892,8.853378015,6.405232657,8.319620619,6.656511583,4.987289072,1.008242981,1.319408757,1.86E-11,7.53E-44,5.86E-98,8.81E-174,2.55E-271,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.574898307,3.947902859,0.86921425,5.931970442,1.786308377,3.174466888,2.094088055,1.461017099,0.180403736,0.236080195,3.33E-12,1.35E-44,1.05E-98,1.58E-174,4.57E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.763377643,3.949453675,3.638306835,10.83470757,9.687047592,11.74415227,9.573169123,7.330636418,1.650344866,2.159677389,3.05E-11,1.23E-43,9.60E-98,1.44E-173,4.18E-271,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.182924067,2.933442385,1.145293161,7.022051064,3.073759108,3.987395377,3.356408441,2.272233068,0.3366771,0.440582826,6.22E-12,2.51E-44,1.96E-98,2.94E-174,8.53E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.556643449,1.514933724,0.468034248,0.563185527,0.333714405,0.602474809,0.569556658,0.303534716,4.539611421,5.778782941,12.13115905,0.345349897,1.475566183,1.85727,0.853718942,0.152607923,0.648579422,0.298128187,0.320229307,0.185702328,0.032246117,2.863596864,1.99930497,5.104874908,0.472869133,0.538177752,2.117353034,1.103132783,0.271619195,0.606325705,0.315893359,0.414564267,0.308559103,0.102307859,3.492105013,3.210467311,7.33699913,0.409488558,0.82543123,2.537444558,1.497162272,0.459553017,0.564609325,0.333135074,0.593506191,0.556957069,0.292657711,4.494159847,5.653081999,11.89306825,0.346913988,1.443120972,2.240489956,1.2197011,0.32720677,0.591564462,0.322041981,0.463599483,0.375525647,0.148479822,3.787397825,3.864926002,8.54649095,0.387346693,0.987604952,2.617434471,1.571077986,0.49483349,0.5588813,0.335460588,0.631331152,0.6100832,0.339195747,4.683345947,6.184809913,12.90300701,0.341512832,1.580610098,2.541948416,1.505486762,0.458549698,0.564127152,0.334108259,0.59537667,0.566171874,0.291364301,4.505984877,5.682819872,11.94361469,0.347353117,1.452912845 +UMLMON0250,L,iso-propenylcyclopropane,CC(=C)C1CC1,78394,,UML,[1],C6H10,PubChem,,74.9,0,1.899,3.606201,42.0986,26.508688,0,0,25,9,16,0,9,0,0,0,0,0,0,0,0,0,1314.634113,1492.090497,2177.180389,1889.677953,1133.304317,333.07344,33.530112,0,0,4308.992027,5647.437978,8601.319704,9629.847146,7051.702733,3542.659425,1025.763566,0,0,175.360068,181.746756,342.75298,476.69562,573.717812,305.990784,221.709312,0,0,32.21390648,42.91680896,67.87150539,82.99635593,68.69224873,36.95518435,14.67222586,0,0,4099.831637,3591.109968,7357.361947,10340.20802,14103.69551,7309.703977,6102.282517,0,0,43.84027778,52.375,85.16666667,122.2083333,117.0833333,67,33,0,0,52.58536452,59.68361988,45.35792477,28.20414855,13.65426888,7.569850909,1.016064,0,0,172.3596811,225.8975191,179.1941605,143.7290619,84.96027389,80.51498694,31.08374443,0,0,7.01440272,7.26987024,7.140687083,7.11486,6.912262795,6.954336,6.718464,0,0,1.288556259,1.716672358,1.413989696,1.238751581,0.827617455,0.839890553,0.444612905,0,0,163.9932655,143.6443987,153.2783739,154.3314629,169.9240423,166.1296358,184.917652,0,0,1.753611111,2.095,1.774305556,1.824004975,1.41064257,1.522727273,1,0,0,0.045091223,-0.008251724,0.008727739,-0.034791147,0.00528561,-0.016329856,0.022813767,0,0,697.3402118,6.75E-13,147.7973838,-735.6939235,164.262361,-442.8110345,517.7751073,0,0,1296.733901,-1.28E-13,274.8355463,-1368.054266,305.4528746,-823.4260274,962.8249218,0,0,0.13660416,2.26E-15,0.028952493,-0.144117389,0.032177869,-0.086743642,0.101428589,0,0,5.797003881,1.49E-14,1.228642767,-6.115839094,1.36551647,-3.681097464,4.304275381,0,0,31.48941709,-1.44E-13,6.67400701,-33.22133503,7.417507136,-19.99577985,23.38089219,0,0,3.94,-1.6325,2.279366667,-3.733366667,1.833644444,-3.005511111,2.288366667,0,0,0.001803649,-3.30E-04,1.82E-04,-5.19E-04,6.37E-05,-3.71E-04,6.91E-04,0,0,27.89360847,2.70E-14,3.079112162,-10.98050632,1.97906459,-10.06388715,15.69015477,0,0,51.86935606,-5.12E-15,5.725740548,-20.41872039,3.680155115,-18.7142279,29.17651278,0,0,0.005464166,9.04E-17,6.03E-04,-0.002151006,3.88E-04,-0.001971446,0.003073594,0,0,0.231880155,5.97E-16,0.025596724,-0.091281181,0.016452006,-0.083661306,0.130432587,0,0,1.259576683,-5.77E-15,0.139041813,-0.495840821,0.089367556,-0.454449542,0.708511884,0,0,0.1576,-0.0653,0.047486806,-0.055721891,0.022092102,-0.068307071,0.069344444,0,0,-0.183000678,0.100811131,-0.287900182,0.03530734,-0.205767918,0.383293153,0,0,9.68E-16,0.110387731,-0.393656716,0.070950469,-0.360795455,0.5625,0,0,-9.86E-17,0.110387731,-0.393656716,0.070950469,-0.360795455,0.5625,0,0,1.65E-14,0.110387731,-0.393656716,0.070950469,-0.360795455,0.5625,0,0,2.58E-15,0.110387731,-0.393656716,0.070950469,-0.360795455,0.5625,0,0,-4.58E-15,0.110387731,-0.393656716,0.070950469,-0.360795455,0.5625,0,0,-0.414340102,0.301312218,-0.353565295,0.140178311,-0.433420499,0.44000282,0,0,1.434656118,0.881067791,1.460430817,0.86525343,1.160857226,0.033325023,0,0,1.333333333,1.041666667,1.492537313,0.753012048,1.231060606,0,0,0,1.333333333,1.041666667,1.492537313,0.753012048,1.231060606,0,0,0,1.333333333,1.041666667,1.492537313,0.753012048,1.231060606,0,0,0,1.333333333,1.041666667,1.492537313,0.753012048,1.231060606,0,0,0,1.333333333,1.041666667,1.492537313,0.753012048,1.231060606,0,0,0,1.780033841,0.609401438,1.54304619,0.691344056,1.48823258,0,0,0,36.35018721,17.89814959,25.51319574,36.35018721,4.03890969,17.89814966,1.42E-14,0.046890492,0.005210055,-2.753946318,83.85482342,9.317202603,3.98617831,36.35018721,17.89814959,25.51319574,36.35018721,4.03890969,17.89814966,1.42E-14,0.046890492,0.005210055,-2.753946318,83.85482342,9.317202603,3.98617831,36.35018721,17.89814959,25.51319574,36.35018721,4.03890969,17.89814966,1.42E-14,0.046890492,0.005210055,-2.753946318,83.85482342,9.317202603,3.98617831,36.35018721,17.89814959,25.51319574,36.35018721,4.03890969,17.89814966,1.42E-14,0.046890492,0.005210055,-2.753946318,83.85482342,9.317202603,3.98617831,36.35018721,17.89814959,25.51319574,36.35018721,4.03890969,17.89814966,1.42E-14,0.046890492,0.005210055,-2.753946318,83.85482342,9.317202603,3.98617831,36.35018721,17.89814959,25.51319574,36.35018721,4.03890969,17.89814966,1.42E-14,0.046890492,0.005210055,-2.753946318,83.85482342,9.317202603,3.98617831,49.01678758,23.5483531,34.75971756,48.89821328,5.433134809,23.5483531,-0.321141975,0.043794469,0.004866052,-2.815422977,138.3129838,15.36810931,4.436567204,0,11.89,12.11013444,-0.148263011,0.075405981,6.196930614,9.556132015,9,25,24,24,8,1,1,0,0,1,17.491312,3.733582397,3.10966276,2.888058698,2.333552793,2.211986631,2.063353035,1.010346302,0.917771627,2.017380428,1.620192124,1.40030127,1.249629723,1.094581522,0.926633618,0.374610118,0.295067969,3.751422807,3.142694636,2.919970026,2.405454588,2.280541477,2.128385728,1.125641094,1.031096929,1.972986382,1.544372287,1.321955807,1.134540686,0.98313127,0.815297237,0.216948124,0.133794463,3.831851373,3.291562029,3.066054368,2.704236987,2.56731838,2.404868785,1.592864548,1.498123917,1.848329807,1.321817301,1.096185679,0.76031856,0.621388442,0.457688171,0.322441293,0.416123648,3.76466643,3.167251484,2.943813478,2.457539916,2.330333277,2.175897703,1.208723541,1.113247878,1.94526118,1.496031182,1.2723473,1.058262671,0.909307125,0.7418051,0.110460084,0.024924719,3.872316662,3.365582045,3.140023427,2.838982085,2.697313254,2.532169268,1.79461049,1.702757251,1.811147283,1.253375843,1.028233683,0.631337262,0.49712464,0.336598153,0.518760321,0.614472257,3.753347334,3.190081983,3.035957827,2.62226806,2.407387417,2.238178854,1.30263677,1.228490501,1.965992884,1.45090158,1.164252036,0.889647739,0.81084174,0.635844681,7.19E-04,0.135198171,0,0,0,2,0,3,2,1,1,0,0,0,0.072168784,0.216506351,0,0,0,0.048112522,0.144337567,1.495781916,0.25,0,0,1.33915195,0.204124145,0,0,1.444814383,2.430412943,2.198259192,1.153199567,1.958700306,1.626996445,6.905777394,4.100953631,4.365737948,2.451524386,2.076524386,1.045385138,0.637136847,0,0.767308599,0.455661515,0.335825996,0.204293699,0.14832317,0.087115428,0.079642106,0,6.64626437,3.777656999,3.935948244,1.982048417,1.668867387,0.727507328,0.424757898,0,0.738473819,0.419739667,0.30276525,0.165170701,0.119204813,0.060625611,0.053094737,0,13.33462243,24.10269483,22.80392157,23.08,15.38843593,190.9687353,0.533384897,0.964107793,0.912156863,0.9232,0.615537437,7.638749413,2.92489,41.049,35.38050655,47.99921715,70.7610131,7.862334788,35.38050655,0.102065305,0.011340589,-2.05392818,36.32784657,4.036427397,3.233326113,61,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,6,1,0,2,0,0,0,0,0,0,0,0,3,0,2,0,2,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.653935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.520208333,0,0,1.489513889,0.290277778,0,0.520208333,0,0,0,0,0,0,0,0,6.934097222,0,2.631875,0,4.653935185,0,0.893518519,0,0,0,0,0,0.469907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.313657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.250763889,0,0,0.225625,0.290277778,0,0.250763889,0,0,0,0,0,0,0,0,2.304722222,0,1.281180556,0,2.313657407,0,0.893518519,0,0,0,0,0,0.469907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.340277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.269444444,0,0,0.290277778,0.290277778,0,0.269444444,0,0,0,0,0,0,0,0,2.324652778,0,1.350694444,0,2.340277778,0,0.893518519,0,0,0,0,0,0.469907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.58333333,1.731481481,0.290277778,2.340277778,0.090277778,0.469907407,6.062068287,0.780092593,0.340277778,3.176064815,0.780092593,0.340277778,3.176064815,4.5,0.5,0,0,0.444,0.7,0.43333,0.43333,0.7,0.01067,0.01067,0,0,0.71429,0,0,0.33333,0.11111,0.11111,5.5,0.61111,4.5,0.5,1,0.11111,-3.5,-0.38889,0,0,9.39443,1.04383,10.70711,1.31267,0.14585,3.60095,0.40011,4.10095,0.5,0.05556,0.31305,0.03478,0.39905,0.04434,0.24,9,0,0,0,0,0,0,0.777777778,0.942683189,2.161541933,3.182683189,3.59326969,3.59326969,3.59326969,23.56707973,54.03854833,79.56707973,89.83174224,89.83174224,89.83174224,0.202995776,0.46546272,0.685353521,0.773768511,0.773768511,0.773768511,3.701173001,2.482314256,1.461173001,1.0505865,1.0505865,1.0505865,0.200552128,0.459859516,0.677103288,0.764453946,0.764453946,0.764453946,6.78267514,17.58500857,20.7048025,21.11860186,21.11860186,21.11860186,35.24630968,21.70460118,18.01012261,17.0890857,17.0890857,17.0890857,7.111111111,2.319526627,2,0,2,0,2.45,1.2251,0.944940787,4.559014114,1.44224957,2.080083823,3.532775529,2.555772417,2.555772417,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.162,0.155,0.259,0.348,3.921,13,12,14,12,8,0,0,0,0,77,2.397895273,2.772588722,2.890371758,3.091042453,3.091042453,2.833213344,0,0,0,0,4.700480366,1.415584416,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,4,0.333333333,3.5,1.111111111,0.8125,0.333333333,0,0,0,0,0,0,0.388888889,0.085470085,0.090277778,0.066666667,0,0,0,0,0,0,0.631303419,18.63289832,26.56578181,37.26579663,4.14064407,18.63289835,0.040935541,0.004548393,-2.876180948,151.3799242,16.81999158,4.517813458,0,149.2274029,4.169925001,3.80666249,4.553876892,5.433722004,6.196444128,7.079184395,7.845807503,8.728911725,9.496646498,10.37975279,81.52100842,2.944438979,0,4.262679877,0,5.765191103,0,7.351799869,0,8.974491448,9.197457746,124.1252005,4.96500802,17.31070842,1.923412046,0,0,0,82,9,4.322,44,1.273519207,2.228216774,3.100409014,3.730697037,4.747957968,5.426859404,0,0,0,0,89.71190196,116.3793885,94.80619561,58.41364014,37.23562282,5.514036473,0,0,0,0,319.702965,440.3712919,466.4303517,343.0205531,392.0438103,168.6871108,0,0,0,0,9.302169193,15.99345168,22.10527651,25.8656256,33.06547672,36.46015954,0,0,0,0,2.359936692,3.393390599,3.967002875,3.261003663,4.065827312,2.412851724,0,0,0,0,180.2038702,335.7652767,475.1738268,628.0408646,785.0661358,1003.522099,0,0,0,0,2.718017459,4.156819456,5.774294517,5.456164172,7.368800224,5.426859404,0,0,0,0,0.486940954,0.706664107,0.839614054,0.705669385,0.888300545,0.555710403,0,0,0,0,308.2486206,146.1731271,9.451006813,76.16863383,-36.11956923,-5.284929151,232.0799867,182.2926963,14.73593596,0.801859482,0.38024601,0.024585283,0.198140518,-0.093959282,-0.013747898,118.4960884,56.19147218,3.63313009,29.28053709,-13.88498564,-2.031617954,0.121117712,0.183824362,3.191131886,5.046837686,384.4172544,0,1,0,547.4607859,23.39787994,8.180584573,702.8779878,26.51184618,8.89119184,969.7921891,31.14148662,9.898276029,1.239563353,1.165377654,498.4168109,402.0787317,223.8825602,1.239600038,2.226242234,1.79593592,4.241413277,4.154060744,6.661461263,0.603602276,4.625870919,5.109140404,5.26153358,19.5394612,10.04533026,16.15717422,15.7845085,12.45174076,6.140148004,5.292588383,3.718351786,1.537396366,1.06E-05,2.90E-31,1.54E-78,1.58E-147,3.12E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0.388350494,5.108873296,0.461701132,6.867204715,4.04310019,1.949967968,2.736268397,2.582037019,0.296045758,0.159069956,0.153125813,0.010828008,7.47E-08,2.04E-33,1.09E-80,1.11E-149,2.20E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,1.253318754,5.108891727,1.296890319,8.927823878,4.934110722,4.384084166,4.57368503,4.083404518,1.097427942,0.697743881,0.59903209,0.112836195,7.79E-07,2.13E-32,1.13E-79,1.16E-148,2.29E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,4.366452955,5.109111284,4.916551111,18.57757265,9.559658844,15.12260722,14.69349055,11.66595391,5.643868145,4.798184701,3.400388257,1.369792484,9.46E-06,2.59E-31,1.37E-78,1.41E-147,2.78E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,1.847092347,5.108915095,1.913144056,10.49857201,5.644984278,6.193357296,6.080272626,5.266440625,1.763803172,1.218714693,0.98881463,0.245095294,1.69E-06,4.63E-32,2.46E-79,2.52E-148,4.98E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,5.586378874,5.10926272,6.596914202,23.3122065,11.97778192,20.17484187,20.15584399,15.56731559,8.134914499,7.327670587,5.008832831,2.242148113,1.55E-05,4.23E-31,2.25E-78,2.30E-147,4.56E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,2.837964654,4.192826728,2.89804311,12.44592118,6.61524905,8.730521033,8.016160378,8.053390583,2.964979894,2.286414786,1.790997108,0.512802517,3.54E-06,9.68E-32,5.14E-79,5.27E-148,1.04E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,3.764312819,1.820850329,1.046977041,0.567586437,0.274549433,0.542156837,0.416981307,0.42232669,6.632140188,12.70178782,26.51017063,0.351379655,1.381464834,2.726163713,1.30884674,0.51368689,0.599328447,0.287741004,0.283561662,0.215063049,0.101006523,4.548697343,5.640862459,12.02246166,0.39899267,0.599631234,3.123391171,1.504784401,0.717835502,0.584247045,0.28147798,0.37266379,0.284413453,0.19777771,5.346011074,8.022299047,16.74215874,0.376370567,0.854854953,3.737034857,1.807399246,1.032974117,0.56816222,0.274788972,0.534295666,0.410815842,0.411043455,6.577408221,12.48157091,26.03601065,0.35224333,1.356154963,3.306694793,1.595185499,0.811999027,0.578712746,0.279177317,0.41789465,0.319712698,0.253358796,5.713879319,9.255113612,19.25211857,0.36806912,0.990966143,3.850265119,1.86323426,1.091097005,0.56583299,0.273819953,0.567303745,0.436714307,0.458885782,6.804596384,13.40792794,28.03999519,0.348749485,1.462903833,3.746317178,1.812934992,1.035735181,0.568055248,0.274895901,0.536872148,0.413472296,0.413286882,6.594987352,12.54974256,26.17926667,0.352082873,1.363631326 +UMLMON0251,L,"3,3,5-trimethylcyclohexene",CC1CC=CC(C1)(C)C,79031,,UML,[1],C9H16,PubChem,,82.8,0,0.4362,0.19027044,30.8353,20.321516,0,0,19,7,12,0,7,0,0,0,0,0,0,0,0,0,1022.041615,1155.133903,1426.565288,898.022836,500.530802,124.204752,9.144576,0,0,3337.623245,4341.457709,6098.843241,5121.990416,3242.327065,1498.885714,279.7536999,0,0,133.40518,138.195196,257.222816,329.035216,249.895496,164.835648,60.466176,0,0,24.85765486,32.88483172,49.47685225,46.99724004,31.39754125,16.69109236,4.001516144,0,0,3106.572317,2725.031065,5492.556811,7663.758854,6032.067212,4151.86771,1664.258868,0,0,32.52777778,39.25,63.25,71.75,53,31.5,9,0,0,53.79166395,60.79652121,39.62681356,19.10686885,13.90363339,5.175198,1.016064,0,0,175.6643813,228.4977741,169.4123122,108.9785195,90.0646407,62.45357141,31.08374443,0,0,7.021325263,7.273431368,7.145078222,7.000749277,6.941541556,6.868152,6.718464,0,0,1.308297624,1.730780617,1.374357007,0.999941277,0.872153924,0.695462182,0.444612905,0,0,163.5038062,143.4226876,152.5710225,163.058699,167.5574226,172.9944879,184.917652,0,0,1.711988304,2.065789474,1.756944444,1.526595745,1.472222222,1.3125,1,0,0,0.039203879,-0.003031575,-0.01348971,-0.010833801,0.001584279,-0.001999258,0.008168125,0,0,535.2391977,4.76E-13,-134.8158881,-215.3029855,-58.35314561,-7.042621022,147.8950415,0,0,995.3001436,-8.53E-14,-250.6959008,-400.3650954,-108.510166,-13.09605452,275.0171449,0,0,0.104849684,1.51E-15,-0.026409507,-0.042176377,-0.011430981,-0.001379601,0.028971623,0,0,4.449454733,4.27E-15,-1.12072732,-1.789818257,-0.48509093,-0.058545457,1.229454597,0,0,24.16950873,7.99E-14,-6.087808589,-9.72232118,-2.635021628,-0.318019852,6.678416885,0,0,2.631578947,-0.263157895,-0.734687596,-0.432209911,-0.113342567,-0.354801477,0.582409972,0,0,0.002063362,-1.60E-04,-3.75E-04,-2.31E-04,4.40E-05,-8.33E-05,9.08E-04,0,0,28.17048409,2.51E-14,-3.744885782,-4.580914586,-1.620920711,-0.293442543,16.43278239,0,0,52.38421809,-4.49E-15,-6.963775023,-8.518406284,-3.014171279,-0.545668938,30.55746055,0,0,0.005518404,7.93E-17,-7.34E-04,-8.97E-04,-3.18E-04,-5.75E-05,0.003219069,0,0,0.234181828,2.25E-16,-0.031131314,-0.03808124,-0.013474748,-0.002439394,0.136606066,0,0,1.272079407,4.21E-15,-0.169105794,-0.206857897,-0.073195045,-0.013250827,0.742046321,0,0,0.138504155,-0.013850416,-0.020407989,-0.009195956,-0.003148405,-0.014783395,0.064712219,0,0,-0.077328438,-0.181603691,-0.111713986,0.021328172,-0.040372172,0.439849833,0,0,8.89E-16,-0.132936508,-0.162613982,-0.057539683,-0.010416667,0.583333333,0,0,-8.57E-17,-0.132936508,-0.162613982,-0.057539683,-0.010416667,0.583333333,0,0,1.44E-14,-0.132936508,-0.162613982,-0.057539683,-0.010416667,0.583333333,0,0,9.61E-16,-0.132936508,-0.162613982,-0.057539683,-0.010416667,0.583333333,0,0,3.31E-15,-0.132936508,-0.162613982,-0.057539683,-0.010416667,0.583333333,0,0,-0.1,-0.147345679,-0.066394799,-0.022731481,-0.106736111,0.467222222,0,0,1.277152268,1.184946795,1.062315281,0.937255613,0.813802431,0.097193745,0,0,1.285714286,1.244047619,1.082826748,0.904761905,0.763392857,0,0,0,1.285714286,1.244047619,1.082826748,0.904761905,0.763392857,0,0,0,1.285714286,1.244047619,1.082826748,0.904761905,0.763392857,0,0,0,1.285714286,1.244047619,1.082826748,0.904761905,0.763392857,0,0,0,1.285714286,1.244047619,1.082826748,0.904761905,0.763392857,0,0,0,1.37,1.137361111,0.976276596,0.97375,0.961875,0,0,0,23.89262914,11.94631457,18.16969852,23.89262914,3.413232734,11.9463357,8.88E-15,0.180754119,0.025822017,-1.197432341,42.15015188,6.021450269,2.618866802,23.89262914,11.94631457,18.16969852,23.89262914,3.413232734,11.9463357,8.88E-15,0.180754119,0.025822017,-1.197432341,42.15015188,6.021450269,2.618866802,23.89262914,11.94631457,18.16969852,23.89262914,3.413232734,11.9463357,8.88E-15,0.180754119,0.025822017,-1.197432341,42.15015188,6.021450269,2.618866802,23.89262914,11.94631457,18.16969852,23.89262914,3.413232734,11.9463357,8.88E-15,0.180754119,0.025822017,-1.197432341,42.15015188,6.021450269,2.618866802,23.89262914,11.94631457,18.16969852,23.89262914,3.413232734,11.9463357,8.88E-15,0.180754119,0.025822017,-1.197432341,42.15015188,6.021450269,2.618866802,23.89262914,11.94631457,18.16969852,23.89262914,3.413232734,11.9463357,8.88E-15,0.180754119,0.025822017,-1.197432341,42.15015188,6.021450269,2.618866802,28.83593317,14.32570468,22.40959167,28.73780846,4.105401208,14.32570673,-0.18452381,0.183088899,0.026155557,-1.18844842,39.28813473,5.612590675,2.569645791,0,11.8,12.20005101,-0.286248339,0.113827561,5.435184036,8.246004736,7,19,18,18,6,1,1,0,0,1,13.118484,3.68838248,3.01651999,2.449847718,2.231243018,1.559675948,0.984466276,0.704134359,0.083923071,1.827799021,1.668098668,1.413266734,0.832024649,0.650787079,0.419772331,0.235059814,0.083923071,3.707899145,3.055949614,2.49146882,2.287166608,1.654633882,1.107405721,0.843704249,0.270913902,1.76943738,1.608624949,1.328107285,0.702410969,0.509928092,0.26780271,0.065519342,0.270913902,3.79510366,3.229637403,2.678200084,2.532758677,2.042989294,1.592578575,1.385021163,0.943918427,1.605212107,1.437233516,1.061243377,0.278721561,0.040423404,0.245449901,0.528524196,0.943918427,3.722345894,3.085054164,2.522387115,2.328462241,1.723134248,1.195006819,0.942566679,0.399277246,1.732871903,1.571125049,1.272394106,0.616251679,0.41563925,0.16560528,0.049870826,0.399277246,3.838512575,3.313610713,2.770146099,2.650037644,2.21393633,1.798127537,1.610053111,1.207644823,1.556723277,1.384484352,0.973343313,0.132905922,0.12495116,0.429167665,0.752427791,1.207644823,3.742247024,3.168074339,2.593564123,2.373809007,1.812764312,1.31465553,1.10799958,0.591549296,1.741459179,1.501274734,1.150870866,0.487388412,0.290698176,0.032793809,0.232216331,0.591549296,0,0,0,2,0,1,3,1,0,0,0,0.144337567,0.102062073,0.102062073,0,0,0.096225045,0.068041382,0.068041382,0.204124145,0,0,0,0.166666667,0,0,0,0.49279928,0.594861352,0.204124145,0.380742842,0.41820032,0.136082763,5.112884175,3.431851653,2.558730745,2.052095141,1.418611262,0.49279928,0.204124145,0,0.730412025,0.490264522,0.319841343,0.228010571,0.157623474,0.12319982,0.102062073,0,4.853371151,3.098518319,2.173830565,1.636749831,1.035408308,0.350158939,0.136082763,0,0.693338736,0.442645474,0.271728821,0.181861092,0.115045368,0.087539735,0.068041382,0,10.25096682,18.32702112,17.35294118,17.56,11.79132695,144.9122251,0.53952457,0.964580059,0.913312693,0.924210526,0.620596155,7.626959218,2.28879,31.885,22.87726984,33.16178179,45.75453968,6.536362811,22.87726984,0.106509552,0.01521565,-1.567664427,23.73191568,3.390273668,2.216774557,44,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,1,0,3,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.619212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.594861111,0,0,1.305138889,0.580555556,0,0.594861111,0,0,0,0,0,0,0,0,2.250324074,0,4.04712963,0,4.619212963,0,0.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.28587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.225625,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.250324074,0,1.317962963,0,2.28587963,0,0.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.290277778,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.250324074,0,1.399305556,0,2.333333333,0,0.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.69047619,0.306319444,2.333333333,0.225625,0.916666667,4.605819444,0.416666667,0.333333333,1.739074074,0.416666667,0.333333333,1.739074074,3.5,0.5,0,0,0.44737,0.7,0.43333,0.43333,0.7,0.01404,0.01404,0,0,0.71429,0,0,0.14286,0.14286,0,4.5,0.64286,3.5,0.5,1,0.14286,-2.5,-0.35714,0,0,5.49873,0.78553,6.53706,1.03833,0.14833,2.91583,0.41655,3.43185,0.51602,0.07372,-0.01785,-0.00255,0.06815,0.00974,0.263157895,7,0,0,0,0,0,0,0.714285714,0.949452015,2.183754832,3.366091329,3.681880803,3.681880803,3.681880803,18.03958829,41.49134181,63.95573525,69.95573525,69.95573525,69.95573525,0.223509467,0.514075352,0.792407902,0.866747559,0.866747559,0.866747559,3.298475498,2.064172682,0.881836184,0.566046711,0.566046711,0.566046711,0.219682511,0.505273291,0.778840197,0.851907001,0.851907001,0.851907001,6.790838447,17.08973949,20.59546991,20.91373045,20.91373045,20.91373045,27.3155423,17.78709831,14.13567519,13.37360807,13.37360807,13.37360807,5.142857143,2.34375,1.185185185,2,2,2,2.23,0.9433,0,1.850535862,0.5,0,5.676240019,3.789291416,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.111,0.108,0.338,0.369,3.335,8,9,9,4,2,0,0,0,0,46,2.197224577,2.397895273,2.63905733,2.772588722,2.079441542,1.609437912,0,0,0,0,4.17438727,1.391304348,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,2,0.285714286,0,2,4,1,1,0.444444444,0.222222222,0.125,0,0,0,0,0,0,0.142857143,0.055555556,0.055555556,0.0625,0,0,0,0,0,0,0.316468254,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,0,114.6354337,3.807354922,3.433987204,4.17438727,4.934473933,5.693732139,6.459904454,7.22329568,7.990576882,8.755107122,9.522446728,72.18791141,2.708050201,0,3.850147602,2.397895273,5.176149733,4.442651256,6.577861358,6.259581464,8.017966703,8.436416881,96.09390038,5.057573704,13.58523637,1.940748052,0,0,0,43,4,3.402,30,1.289183317,2.278325914,3.099245891,3.888665705,4.264540543,4.50459913,0,0,0,0,93.25039473,100.320697,63.38229733,52.03588191,21.02898013,4.57696101,0,0,0,0,329.3246736,413.8095826,354.7649931,344.1006287,258.4851994,140.0198081,0,0,0,0,9.424376406,16.33852431,21.75623531,26.97810676,29.25205186,30.26398709,0,0,0,0,2.419832719,3.298561322,3.218496133,3.353089608,2.90304933,2.002802904,0,0,0,0,181.935245,343.3624998,500.7981652,652.6895397,740.7258889,832.9798944,0,0,0,0,2.73723274,4.101091792,4.818082687,5.622117823,5.504742726,4.50459913,0,0,0,0,0.498872458,0.690708758,0.689663971,0.727802702,0.643825869,0.461270951,0,0,0,0,310.4387034,120.223251,9.888661609,127.1783465,-49.25221665,-6.000760067,183.2603569,169.4754677,15.88942168,0.709384389,0.274722502,0.02259661,0.290615611,-0.112546384,-0.013712354,135.8532695,52.61174443,4.32744692,55.6554128,-21.55360975,-2.626034918,0.147631578,0.226330669,2.678048568,2.377343302,437.6170499,0,1,0,417.8976536,20.44254518,7.47635608,534.5667112,23.12069876,8.115849226,673.0294323,25.9428108,8.763508635,1.172096875,1.103305826,298.4022352,233.9799759,126.1400031,1.275332362,2.365643157,1.854922864,3.674889244,3.430647518,5.943161307,0.732373051,3.510139109,4.055083964,4.466857827,9.507153217,7.255491242,7.626915607,9.535300963,3.920921361,4.647150178,1.211139122,0.724277729,3.42E-14,3.11E-49,5.47E-106,1.85E-184,1.21E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.294596135,3.620109403,1.561472494,2.19560819,0.925814674,0.740793018,1.406082023,0.035313312,0.19067944,0.008530152,0.005101147,2.41E-16,2.19E-51,3.85E-108,1.31E-186,8.53E-287,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.950957009,3.654856135,2.117367077,3.150437764,1.870432406,1.94411513,2.375484005,0.307550947,0.746876524,0.088890759,0.053157887,2.51E-15,2.29E-50,4.01E-107,1.36E-185,8.89E-286,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.313285872,4.009337271,4.275847479,8.869356126,6.74509288,7.133791334,8.79355635,3.498770832,4.249284519,1.079103153,0.645318417,3.05E-14,2.77E-49,4.87E-106,1.65E-184,1.08E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.401528172,3.694754523,2.510003817,3.965526655,2.622034364,2.830219842,3.245807002,0.649098891,1.233639046,0.193082607,0.115466035,5.45E-15,4.96E-50,8.72E-107,2.96E-185,1.93E-285,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.23899804,4.246170277,5.189008038,12.08457472,9.284810472,9.533984727,12.55878152,5.693186759,6.262245377,1.766332584,1.056290999,4.99E-14,4.54E-49,7.98E-106,2.70E-184,1.77E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.098769643,3.556443319,2.996591212,5.162944027,4.118313273,4.394679725,5.075270737,1.389824597,2.167224255,0.423814602,0.253446918,1.20E-14,1.09E-49,1.91E-106,6.49E-185,4.24E-285,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.944207982,1.58924609,0.722951069,0.560118161,0.302344672,0.568980327,0.516396877,0.378615894,5.256405141,7.956536491,16.59568103,0.340177242,1.463993098,2.127775781,0.991813029,0.327237391,0.617314497,0.287746748,0.297366869,0.194246584,0.075369606,3.446826201,3.131201845,7.268615352,0.425971745,0.566983059,2.435348807,1.218771356,0.477334062,0.589465276,0.294998151,0.389137952,0.298204846,0.162482079,4.131454226,4.71236939,10.26061477,0.384197915,0.849824878,2.922240992,1.573358683,0.712405184,0.561105658,0.30210392,0.560491062,0.505817355,0.367445027,5.208004859,7.800421752,16.2838756,0.341658487,1.433753444,2.579317495,1.324151105,0.547129635,0.579543998,0.297522049,0.43646421,0.354177861,0.214561717,4.450598235,5.551109461,11.8703776,0.369315997,1.005203788,3.013603321,1.639381169,0.756236766,0.557123323,0.303071568,0.596230257,0.550494632,0.414990416,5.409221256,8.45920248,17.60456954,0.335684985,1.561715305,2.924145951,1.575547848,0.71362643,0.560898971,0.30221582,0.561177922,0.50689217,0.368311289,5.213320229,7.818232283,16.31932357,0.341348456,1.436381381 +UMLMON0252,L,3-ethylcyclopentene,CCC1CCC=C1,79095,,"Sandia, UML",[1],C7H12,PubChem,,71.4,0,2.1578,4.65610084,41.9878,26.508688,0,0,25,9,16,0,9,0,0,0,0,0,0,0,0,0,1314.634113,1492.090497,2177.180389,1900.768977,1136.352509,321.982416,30.48192,0,0,4308.992027,5647.437978,8601.319704,9713.500018,7144.953966,3459.006553,932.5123329,0,0,175.360068,181.746756,342.75298,477.094788,593.873204,305.591616,201.55392,0,0,32.21390648,42.91680896,67.87150539,83.66528733,70.02608745,36.28625294,13.33838715,0,0,4099.831637,3591.109968,7357.361947,10308.41291,14658.44847,7341.499081,5547.529561,0,0,43.84027778,52.41666667,84.58333333,121.6666667,120.6666667,67.5,30,0,0,52.58536452,59.68361988,45.35792477,28.36968622,13.21340127,7.317782182,1.016064,0,0,172.3596811,225.8975191,179.1941605,144.9776122,83.08086007,78.61378531,31.08374443,0,0,7.01440272,7.26987024,7.140687083,7.120817731,6.905502372,6.945264,6.718464,0,0,1.288556259,1.716672358,1.413989696,1.248735632,0.814256831,0.824687567,0.444612905,0,0,163.9932655,143.6443987,153.2783739,153.8569091,170.4470752,166.8522518,184.917652,0,0,1.753611111,2.096666667,1.762152778,1.815920398,1.403100775,1.534090909,1,0,0,0.045708597,-0.006822799,0.003243525,-0.033142027,0.010602458,-0.01917059,0.022435134,0,0,697.3402118,6.75E-13,147.7973838,-779.2776867,211.3328253,-399.2272713,470.704643,0,0,1296.733901,-1.28E-13,274.8355463,-1449.100135,392.9824129,-742.3801586,875.2953835,0,0,0.13660416,2.25E-15,0.028952493,-0.152655149,0.04139865,-0.078205882,0.092207808,0,0,5.797003881,1.49E-14,1.228642767,-6.478151837,1.756814232,-3.318784722,3.912977619,0,0,31.48941709,-1.44E-13,6.67400701,-35.18942359,9.543042789,-18.02769128,21.25535653,0,0,3.94,-1.590833333,1.801311111,-3.643366667,2.519733333,-3.137177778,2.080333333,0,0,0.001828344,-2.73E-04,6.76E-05,-4.95E-04,1.23E-04,-4.36E-04,7.48E-04,0,0,27.89360847,2.70E-14,3.079112162,-11.63101025,2.457358434,-9.073347075,15.69015477,0,0,51.86935606,-5.12E-15,5.725740548,-21.62836022,4.569562941,-16.87227633,29.17651278,0,0,0.005464166,9.01E-17,6.03E-04,-0.002278435,4.81E-04,-0.001777406,0.003073594,0,0,0.231880155,5.97E-16,0.025596724,-0.096688833,0.020428072,-0.075426925,0.130432587,0,0,1.259576683,-5.77E-15,0.139041813,-0.525215278,0.110965614,-0.409720256,0.708511884,0,0,0.1576,-0.063633333,0.037527315,-0.054378607,0.029299225,-0.071299495,0.069344444,0,0,-0.149267292,0.036958824,-0.270549279,0.067429542,-0.238300476,0.409024692,0,0,9.68E-16,0.110387731,-0.416977612,0.088097545,-0.325284091,0.5625,0,0,-9.86E-17,0.110387731,-0.416977612,0.088097545,-0.325284091,0.5625,0,0,1.65E-14,0.110387731,-0.416977612,0.088097545,-0.325284091,0.5625,0,0,2.58E-15,0.110387731,-0.416977612,0.088097545,-0.325284091,0.5625,0,0,-4.58E-15,0.110387731,-0.416977612,0.088097545,-0.325284091,0.5625,0,0,-0.403764805,0.23811748,-0.345041922,0.185908787,-0.452407963,0.44000282,0,0,1.399620093,0.943635608,1.39691872,0.781373718,1.296481521,0.062603584,0,0,1.333333333,1.041666667,1.523631841,0.726744186,1.183712121,0,0,0,1.333333333,1.041666667,1.523631841,0.726744186,1.183712121,0,0,0,1.333333333,1.041666667,1.523631841,0.726744186,1.183712121,0,0,0,1.333333333,1.041666667,1.523631841,0.726744186,1.183712121,0,0,0,1.333333333,1.041666667,1.523631841,0.726744186,1.183712121,0,0,0,1.769881557,0.669768754,1.49001187,0.633534018,1.57475773,0,0,0,36.79681867,18.11270238,26.14464575,36.79681867,4.088535407,18.11270244,-3.55E-15,0.008686927,9.65E-04,-4.271342398,49.21472324,5.468302582,3.506573548,36.79681867,18.11270238,26.14464575,36.79681867,4.088535407,18.11270244,-3.55E-15,0.008686927,9.65E-04,-4.271342398,49.21472324,5.468302582,3.506573548,36.79681867,18.11270238,26.14464575,36.79681867,4.088535407,18.11270244,-3.55E-15,0.008686927,9.65E-04,-4.271342398,49.21472324,5.468302582,3.506573548,36.79681867,18.11270238,26.14464575,36.79681867,4.088535407,18.11270244,-3.55E-15,0.008686927,9.65E-04,-4.271342398,49.21472324,5.468302582,3.506573548,36.79681867,18.11270238,26.14464575,36.79681867,4.088535407,18.11270244,-3.55E-15,0.008686927,9.65E-04,-4.271342398,49.21472324,5.468302582,3.506573548,36.79681867,18.11270238,26.14464575,36.79681867,4.088535407,18.11270244,-3.55E-15,0.008686927,9.65E-04,-4.271342398,49.21472324,5.468302582,3.506573548,50.92286693,24.12591432,35.90293001,50.8158196,5.646202178,24.12591432,-0.321141975,0.050181501,0.005575722,-2.692897952,53.32305149,5.924783499,3.578731851,0,11.8,12.20007214,-0.286120364,0.113978359,6.239117349,9.467505173,9,25,24,24,8,1,1,0,0,1,17.491312,3.730791365,3.134167085,2.861736208,2.333552793,2.206837882,2.065542529,1.141118225,0.734852168,2.018191952,1.615739888,1.403162414,1.249629723,1.095177019,0.926500828,0.424450339,0.240936834,3.749033441,3.163806698,2.897170614,2.405454588,2.275538238,2.130354404,1.24675585,0.866119967,1.973545242,1.541750788,1.323340744,1.134540686,0.982570579,0.815124336,0.272642291,0.072595156,3.830929374,3.300438402,3.056015719,2.704236987,2.563480057,2.405752813,1.680004843,1.392502242,1.847645534,1.328768028,1.088142906,0.76031856,0.61787149,0.458368968,0.24045732,0.513693675,3.762556386,3.186007452,2.923468261,2.457539916,2.325467669,2.177691614,1.323142085,0.960622206,1.945617891,1.494899938,1.272384423,1.058262671,0.908036139,0.74170038,0.170531509,0.041794944,3.871944388,3.370045007,3.134537096,2.838982085,2.694302192,2.532584193,1.869960559,1.615103742,1.80989791,1.264939007,1.015396963,0.631337262,0.49291749,0.337754903,0.424351724,0.731936664,3.745918162,3.239479108,2.992431756,2.62226806,2.391809046,2.247440123,1.40707218,1.106071186,1.96997161,1.433765456,1.176879293,0.889647739,0.811729514,0.636215782,0.054680105,0.208808998,0,0,0,2,0,3,2,1,1,0,0,0,0.072168784,0.216506351,0,0,0,0.048112522,0.144337567,1.495781916,0.25,0,0,1.442809042,0.25,0,0,1.444814383,2.430412943,2.198259192,1.239532453,2.000478695,1.611704494,6.905777394,4.100953631,4.365737948,2.451524386,2.076524386,1.045385138,0.637136847,0,0.767308599,0.455661515,0.335825996,0.204293699,0.14832317,0.087115428,0.079642106,0,6.64626437,3.767620298,3.977898087,2.009613738,1.64238095,0.712215377,0.424757898,0,0.738473819,0.418624478,0.305992161,0.167467811,0.117312925,0.059351281,0.053094737,0,13.33462243,24.10269483,22.80392157,23.08,15.38843593,190.9687353,0.533384897,0.964107793,0.912156863,0.9232,0.615537437,7.638749413,2.92489,41.049,35.38050655,47.99921715,70.7610131,7.862334788,35.38050655,0.102065305,0.011340589,-2.05392818,36.32784657,4.036427397,3.233326113,61,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,6,2,0,2,0,0,0,0,0,0,0,0,3,0,2,0,2,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.638310185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.537986111,0,0,1.518611111,0.580555556,0,0.537986111,0,0,0,0,0,0,0,0,6.969652778,0,2.611944444,0,4.638310185,0,0.799768519,0,0,0,0,0,0.563657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.313657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.268541667,0,0,0.225625,0.290277778,0,0.268541667,0,0,0,0,0,0,0,0,2.289097222,0,1.26125,0,2.313657407,0,0.799768519,0,0,0,0,0,0.563657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.324652778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.269444444,0,0,0.290277778,0.290277778,0,0.269444444,0,0,0,0,0,0,0,0,2.340277778,0,1.350694444,0,2.324652778,0,0.799768519,0,0,0,0,0,0.563657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.58333333,1.731481481,0.290277778,2.340277778,0.043402778,0.563657407,6.046571759,0.686342593,0.340277778,3.215925926,0.686342593,0.340277778,3.215925926,4.5,0.5,0,0,0.444,0.7,0.43333,0.43333,0.7,0.01067,0.01067,0,0,0.71429,0,0,0.33333,0.11111,0.11111,5.5,0.61111,4.5,0.5,1,0.11111,-3.5,-0.38889,0,0,9.43553,1.04839,10.70711,1.27158,0.14129,3.58493,0.39833,4.10095,0.51602,0.05734,0.31305,0.03478,0.39905,0.04434,0.24,9,0,0,0,0,0,0,0.777777778,0.942683189,2.161541933,3.182683189,3.59326969,3.59326969,3.59326969,23.56707973,54.03854833,79.56707973,89.83174224,89.83174224,89.83174224,0.202995776,0.46546272,0.685353521,0.773768511,0.773768511,0.773768511,3.701173001,2.482314256,1.461173001,1.0505865,1.0505865,1.0505865,0.200552128,0.459859516,0.677103288,0.764453946,0.764453946,0.764453946,6.78267514,17.58500857,20.7048025,21.11860186,21.11860186,21.11860186,35.24630968,21.70460118,18.01012261,17.0890857,17.0890857,17.0890857,7.111111111,2.319526627,2,0,2,0,2.45,1.2251,0.944940787,4.559014114,1.44224957,2.080083823,3.532775529,2.555772417,2.555772417,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.162,0.155,0.259,0.348,3.921,13,12,14,12,8,0,0,0,0,77,2.397895273,2.772588722,2.833213344,3.091042453,3.135494216,2.833213344,0,0,0,0,4.700480366,1.415584416,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,4,0.333333333,3.5,1.111111111,0.8125,0.333333333,0,0,0,0,0,0,0.388888889,0.085470085,0.090277778,0.066666667,0,0,0,0,0,0,0.631303419,18.63289832,26.56578181,37.26579663,4.14064407,18.63289835,0.040935541,0.004548393,-2.876180948,151.3799242,16.81999158,4.517813458,0,149.2274029,4.169925001,3.80666249,4.553876892,5.433722004,6.196444128,7.079184395,7.845807503,8.728911725,9.496646498,10.37975279,81.52100842,2.944438979,0,4.262679877,0,5.765191103,0,7.351799869,0,8.974491448,9.197457746,124.1252005,4.96500802,17.31070842,1.923412046,0,0,0,82,9,4.516,44,1.273519207,2.228991561,3.088085914,3.67329423,4.247137677,4.112932112,0,0,0,0,89.71190196,115.3174392,91.67336158,48.44052459,28.67616163,4.179002253,0,0,0,0,319.702965,437.9570638,460.9242908,309.0954275,315.7556763,127.8453306,0,0,0,0,9.302169193,15.99553822,22.0261519,25.39170888,29.4109912,27.63258633,0,0,0,0,2.359936692,3.380672103,3.94180083,3.027665272,3.357601676,1.828662694,0,0,0,0,180.2038702,336.0973432,472.4060701,624.0002239,715.5346045,760.553749,0,0,0,0,2.726735587,4.109155144,5.697888857,5.219624062,6.311799284,4.112932112,0,0,0,0,0.486940954,0.704235713,0.834887143,0.658414366,0.737137404,0.421164248,0,0,0,0,304.753337,145.5182787,9.651950028,63.65207055,-30.39356298,-3.976974113,241.1012664,175.9118416,13.62892414,0.827222757,0.394994959,0.026199263,0.172777243,-0.082500317,-0.010795102,112.2727773,53.60972075,3.555830583,23.44976699,-11.19715295,-1.465138769,0.119718145,0.18256316,2.982110311,1.860202324,368.4054075,0,1,0,547.4607859,23.39787994,8.180584573,702.8779878,26.51184618,8.89119184,1025.428384,32.02231072,10.08405281,1.499819299,1.499819299,406.9357687,330.4995948,223.8172413,1.231274637,1.818160953,1.476649399,3.968456639,4.090940536,6.281368163,0.535433749,4.626301241,5.330819168,6.003186785,20.07714993,13.09072883,20.00883863,13.08443129,13.20422625,3.883982691,3.552467059,1.99255766,0.008396101,3.73E-23,3.20E-65,5.28E-129,1.68E-214,1.033E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0.388386608,5.127475763,0.406798677,7.78431956,4.340299554,3.409618901,0.74938913,1.707090504,0.186215316,0.061557494,0.01403375,5.91E-05,2.63E-25,2.25E-67,3.72E-131,1.19E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,0,1.253435334,5.168943742,1.133163792,9.751769757,5.765316812,5.951352078,2.185706098,3.40163188,0.693204696,0.354602059,0.146242467,6.16E-04,2.74E-24,2.35E-66,3.88E-130,1.24E-215,7.4E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,4.366859144,5.318356924,5.51342103,19.13292836,12.42727731,18.69317504,11.94668003,12.26962863,3.569943255,3.190342205,1.775333004,0.007480775,3.32E-23,2.85E-65,4.70E-129,1.50E-214,9.2E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,1.847264165,5.197421714,1.755302857,11.26322791,6.850774025,7.947521964,3.492820752,4.758553621,1.114815082,0.680333475,0.317658172,0.001338526,5.95E-24,5.09E-66,8.42E-130,2.68E-215,1.63E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,5.58689855,5.376976813,7.983656797,23.79079671,15.69224909,25.22017581,17.73143569,16.92662128,5.146266129,5.061765201,2.905958074,0.012244924,5.44E-23,4.66E-65,7.70E-129,2.45E-214,1.507E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,2.838251723,4.232499148,2.760477346,13.18459937,8.304427239,11.25088701,5.615030851,7.570874006,1.984744866,1.343455237,0.664622752,0.002800541,1.24E-23,1.07E-65,1.76E-129,5.61E-215,3.46E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,2.74078558,1.830858096,1.107494665,0.482605884,0.322383078,0.464122404,0.463405693,0.430914068,5.679138342,10.08106045,21.31759536,0.223908826,1.358442164,2.089933273,1.221067767,0.596615476,0.534835817,0.312484033,0.265303109,0.200276669,0.125932018,3.907616515,4.527344614,9.957494085,0.302253726,0.591511795,2.334393723,1.458399596,0.792767723,0.509074833,0.318041693,0.332122449,0.290399213,0.221787277,4.585561043,6.411282989,13.69580499,0.26361225,0.844308939,2.723201817,1.815262776,1.094135935,0.483471498,0.322277919,0.457842936,0.455478205,0.420661089,5.632600528,9.90902409,20.95029621,0.225207247,1.333982229,2.449146059,1.566231934,0.882976189,0.499993665,0.319746567,0.366666363,0.336764038,0.274785925,4.898354182,7.381413926,15.66680364,0.249990497,0.978216326,2.796350994,1.879855073,1.149569325,0.479996362,0.322678948,0.484312948,0.48865744,0.464001149,5.825775393,10.63235766,22.5011139,0.219994543,1.436971538,2.732355517,1.819003638,1.094212308,0.483982097,0.322200091,0.460552125,0.457753254,0.420397898,5.645571464,9.950317834,21.03430461,0.225973146,1.338703277 +UMLMON0253,L,"3,5,5-trimethylcyclohexene",CC1CC(CC=C1)(C)C,79132,,UML,[1],C9H16,PubChem,,80.9,0,1.3917,1.93682889,33.5454,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1238.953135,1180.454694,656.906882,178.815168,18.289152,0,0,3399.790734,4147.41404,5371.798596,5782.521753,4702.819334,2402.602963,559.5073998,0,0,146.842108,144.889944,254.804092,303.805464,335.706248,307.120896,120.932352,0,0,25.74688067,32.32302034,44.45683953,49.90736261,45.42900437,28.03475758,8.003032287,0,0,3476.407621,2904.481805,5677.860524,6807.841654,7837.74268,7939.753089,3328.517736,0,0,41.80555556,46.38888889,64.33333333,84.5,87,57,18,0,0,48.76541633,51.7541979,34.41536486,27.45243474,13.68556004,3.9736704,1.016064,0,0,161.8947969,207.370702,149.2166277,134.4772501,97.97540278,53.39117695,31.08374443,0,0,6.992481333,7.2444972,7.077891444,7.065243349,6.993880167,6.8249088,6.718464,0,0,1.226041937,1.616151017,1.234912209,1.16063634,0.946437591,0.622994613,0.444612905,0,0,165.54322,145.2240902,157.7183479,158.3218989,163.2863058,176.4389575,184.917652,0,0,1.990740741,2.319444444,1.787037037,1.965116279,1.8125,1.266666667,1,0,0,0.041679523,-0.009199836,0.003555827,-0.010129686,-0.031613549,0.016686064,0.009861419,0,0,564.9747087,-53.80711511,40.35533633,-188.3249029,-443.9086997,121.066009,242.132018,0,0,1050.594596,-100.0566282,75.04247115,-350.1981987,-825.4671826,225.1274134,450.2548269,0,0,0.110674667,-0.010540444,0.007905333,-0.036891556,-0.086958667,0.023716,0.047432,0,0,4.696646663,-0.447299682,0.335474762,-1.565548888,-3.690222378,1.006424285,2.01284857,0,0,25.51225921,-2.429738973,1.822304229,-8.504086404,-20.04534652,5.466912688,10.93382538,0,0,5.793650794,-2.250566893,1.008503401,0.87755102,-4.853741497,0.596938776,1.724489796,0,0,0.001984739,-4.60E-04,9.88E-05,-2.36E-04,-6.59E-04,3.71E-04,5.48E-04,0,0,26.90355756,-2.690355756,1.120981565,-4.379648904,-9.24809791,2.690355756,13.45177878,0,0,50.0283141,-5.00283141,2.084513087,-8.144144155,-17.19723297,5.00283141,25.01415705,0,0,0.005270222,-5.27E-04,2.20E-04,-8.58E-04,-0.001811639,5.27E-04,0.002635111,0,0,0.223649841,-0.022364984,0.009318743,-0.036408114,-0.076879633,0.022364984,0.111824921,0,0,1.214869486,-0.121486949,0.050619562,-0.197769451,-0.417611386,0.121486949,0.607434743,0,0,0.275888133,-0.112528345,0.028013983,0.020408163,-0.101119615,0.013265306,0.095804989,0,0,-0.231764353,0.049766225,-0.118692725,-0.331839876,0.186826265,0.276034568,0,0,-0.1,0.041666667,-0.162790698,-0.34375,0.1,0.5,0,0,-0.1,0.041666667,-0.162790698,-0.34375,0.1,0.5,0,0,-0.1,0.041666667,-0.162790698,-0.34375,0.1,0.5,0,0,-0.1,0.041666667,-0.162790698,-0.34375,0.1,0.5,0,0,-0.1,0.041666667,-0.162790698,-0.34375,0.1,0.5,0,0,-0.407876712,0.101541096,0.073972603,-0.366523973,0.048082192,0.347260274,0,0,1.543066173,0.904401735,1.259012003,1.420022589,0.539585053,1.59E-05,0,0,1.5,1.071428571,1.245847176,1.294642857,0.571428571,0,0,0,1.5,1.071428571,1.245847176,1.294642857,0.571428571,0,0,0,1.5,1.071428571,1.245847176,1.294642857,0.571428571,0,0,0,1.5,1.071428571,1.245847176,1.294642857,0.571428571,0,0,0,1.5,1.071428571,1.245847176,1.294642857,0.571428571,0,0,0,1.783561644,0.624619482,1.089359669,1.755993151,0.460273973,0,0,0,25.60245005,12.80122502,19.00972375,25.60245005,3.657492864,12.80123284,0,0.037904989,0.005414998,-2.290870769,32.90747777,4.701068253,2.445589944,25.60245005,12.80122502,19.00972375,25.60245005,3.657492864,12.80123284,0,0.037904989,0.005414998,-2.290870769,32.90747777,4.701068253,2.445589944,25.60245005,12.80122502,19.00972375,25.60245005,3.657492864,12.80123284,0,0.037904989,0.005414998,-2.290870769,32.90747777,4.701068253,2.445589944,25.60245005,12.80122502,19.00972375,25.60245005,3.657492864,12.80123284,0,0.037904989,0.005414998,-2.290870769,32.90747777,4.701068253,2.445589944,25.60245005,12.80122502,19.00972375,25.60245005,3.657492864,12.80123284,0,0.037904989,0.005414998,-2.290870769,32.90747777,4.701068253,2.445589944,25.60245005,12.80122502,19.00972375,25.60245005,3.657492864,12.80123284,0,0.037904989,0.005414998,-2.290870769,32.90747777,4.701068253,2.445589944,36.87830812,18.22665406,27.80477885,36.57473669,5.224962384,18.22665409,-0.425,0.002665235,3.81E-04,-4.149224196,26.15705907,3.736722724,2.28488337,0,11.89,12.11009426,-0.153635256,0.068925155,5.531742889,8.314258989,6,20,19,19,5,1,1,0,0,1,15.304898,3.5799412,3.009266414,2.60071228,2.333552793,1.684176796,1.284852097,0.364199518,0.083923071,1.908511511,1.611874174,1.284185346,1.249629723,0.802079185,0.496882737,0.083923071,0.083923071,3.600072227,3.051423842,2.649777396,2.405454588,1.774390328,1.38492678,0.488581435,0.270913902,1.856472375,1.527892799,1.191437023,1.134540686,0.666409121,0.35239118,0.270913902,0.270913902,3.692038454,3.235297648,2.861889454,2.704236987,2.146291337,1.792729205,0.959945994,0.943918427,1.711082988,1.271514675,0.903236254,0.76031856,0.21522734,0.132461298,0.943918427,0.943918427,3.615085613,3.082436918,2.685783708,2.457539916,1.839650248,1.457034622,0.57614823,0.399277246,1.824002405,1.473548589,1.130999652,1.058262671,0.575706228,0.255496237,0.399277246,0.399277246,3.738900441,3.323272602,2.962054629,2.838982085,2.311357786,1.971500958,1.207644823,1.207644823,1.6681969,1.189052704,0.808874618,0.631337262,0.056211821,0.305372287,1.148101453,1.207644823,3.624357324,3.07721543,2.868735919,2.529124506,1.897034744,1.455889209,0.6186758,0.518518519,1.859479744,1.46914776,0.973568951,0.952239794,0.488844544,0.216641029,0.518518519,0.518518519,0,0,1,0,1,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.433012702,0,0.144337567,0,1.276142375,0.707106781,0.23570226,0.841260992,0.49279928,0.144337567,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,5.491563832,2.857589235,2.166502219,1.270620726,0.40824829,0,0,0,0.784509119,0.476264873,0.309500317,0.211770121,0.204124145,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,5,2,0,1,0,0,0,0,0,0,0,0,3,1,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.219907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.347569444,0,0,0,1.310763889,0.580555556,0,0.347569444,0,0,0,0,0,0,0,0,6.486111111,3.872685185,1.122685185,0,0,0,0.671296296,0,0,1.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.347569444,0,0,0,0.243402778,0.290277778,0,0.347569444,0,0,0,0,0,0,0,0,2.141203704,3.872685185,1.122685185,0,0,0,0.671296296,0,0,1.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.872685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.347569444,0,0,0,0.290277778,0.290277778,0,0.347569444,0,0,0,0,0,0,0,0,2.172453704,3.872685185,1.122685185,0,0,0,0.671296296,0,0,1.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.5,1.928571429,0.347569444,3.872685185,0.041666667,0.671296296,4.669990741,0.662037037,0.872685185,2.717592593,0.662037037,0.872685185,2.717592593,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0.28571,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.18136,0.88305,7.55695,1.37559,0.19651,2.69442,0.38492,3.18073,0.4863,0.06947,0.23327,0.03332,0.23327,0.03332,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.022106113,2.748063851,3.141619208,2.932461236,2.304987318,19.28421252,42.46422837,57.70934087,65.97400337,61.58168595,48.40473368,0.209068641,0.460373402,0.62565238,0.715253226,0.667634179,0.524777036,3.474021589,2.37021131,1.644253572,1.250698215,1.459856187,2.087330105,0.209068641,0.460373402,0.62565238,0.715253226,0.667634179,0.524777036,6.73287657,15.64275278,17.81640094,18.21303588,15.70314021,8.173453201,27.64912502,18.42100773,16.36808494,15.95461758,14.69966974,10.93482624,7,3.06122449,2.666666667,7,2,5,2.23,1.0519,1.944161297,1.941967087,4.930998067,0,0,1.414213562,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.108,0.104,0.16,2.909,7,6,2,0,0,0,0,0,0,28,2.079441542,2.302585093,2.302585093,1.098612289,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,2,1.111111111,0.25,0,0,0,0,0,0,0,0.333333333,0.158730159,0.041666667,0,0,0,0,0,0,0,0.533730159,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,0,126.9918924,3.807354922,3.295836866,3.970291914,4.691347882,5.398162702,6.120297419,6.834108739,7.556427969,8.272059622,8.994296558,68.13282967,2.564949357,0,3.713572067,0,5.056245805,0,6.463029457,0,7.890956716,8.168486417,98.10955045,4.671883355,12.50524286,1.786463266,0,0,0,46,6,3.28,26,1.2229,2.118170782,2.937252896,3.596493675,4.165393204,5.350850018,0,0,0,0,73.6156376,83.24919968,87.72960659,55.60275891,19.05563552,5.436806073,0,0,0,0,277.7186352,345.2496554,415.7362423,370.2101086,241.2794076,166.3244545,0,0,0,0,8.892335553,15.0567824,20.80134703,25.19231944,28.51853865,35.94949322,0,0,0,0,2.107286619,2.7927084,3.537141069,3.511573516,2.746025002,2.37905697,0,0,0,0,175.5375183,329.4515686,461.4835413,584.4856961,727.7600699,989.4666217,0,0,0,0,2.895441667,3.969636728,5.908540365,6.559620898,5.50190906,5.350850018,0,0,0,0,0.4370085,0.586958034,0.749614665,0.757400435,0.610440846,0.547927042,0,0,0,0,322.4067315,133.2911573,9.162750239,154.2870841,-63.78621157,-8.951339249,168.1196474,197.0773688,18.11408949,0.676339237,0.279615873,0.019221458,0.323660763,-0.133809606,-0.018777964,153.689295,63.53907033,4.367826372,73.54769879,-30.40649257,-4.267048061,0.129282117,0.239970204,1.607311699,5.735521869,476.6938155,0,1,0,395.3145785,19.88251942,7.339181199,531.3577082,23.05119754,8.099576812,658.1364023,25.6541693,8.69838523,1.320009711,1.287571784,365.7387638,287.8380343,114.2408601,1.270640847,3.201470677,2.519571667,3.830784267,3.19886722,6.397722307,0.999996207,4.068248461,4.94524837,5.12684837,9.180654402,9.793591287,11.45488133,6.837964905,11.83108766,3.897115152,3.751631058,0.624902428,0.702632337,3.53E-16,3.42E-53,6.38E-112,2.30E-192,1.60E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0.341406595,4.914012639,0.293192234,6.473538476,1.064419146,1.606435715,0.521485441,0.763410358,0.578851619,0.133458653,0.004401282,0.004948697,2.48E-18,2.41E-55,4.49E-114,1.62E-194,1.12E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,1.102091888,4.916100373,1.036778692,7.005058511,1.69373506,3.138278108,1.278345634,2.147022718,0.868484744,0.550343674,0.045864414,0.051569238,2.59E-17,2.51E-54,4.68E-113,1.69E-193,1.17E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,3.840078807,4.941819137,4.744946773,9.00747636,8.851483346,10.68271198,6.262905044,10.84379656,3.556819716,3.416336093,0.556776843,0.626032763,3.14E-16,3.04E-53,5.69E-112,2.05E-192,1.42E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,1.624291139,4.918806776,1.619398754,7.376183513,2.467940096,4.331897238,1.956007179,3.356794147,1.182423537,0.932030012,0.09962353,0.112015276,5.62E-17,5.45E-54,1.02E-112,3.66E-193,2.55E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,4.913075095,4.959667718,6.63849172,9.830314048,13.74472189,14.50605273,9.181032171,15.83826397,5.312803734,5.122280851,0.91136132,1.02472323,5.14E-16,4.98E-53,9.31E-112,3.35E-192,2.33E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,2.256420595,3.496333382,2.378339347,7.340469124,3.245838192,6.968716087,2.667818172,4.243881472,1.607123438,1.382989399,0.168012327,0.188910752,9.48E-17,9.19E-54,1.72E-112,6.18E-193,4.29E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,3.725451274,1.581938158,0.528481043,0.638371138,0.271071499,0.559481677,0.511724148,0.394073147,5.835870475,8.698288228,17.6487266,0.457556706,1.465278972,2.748586938,0.980336768,0.186340743,0.70201821,0.250388392,0.30512338,0.198249001,0.049108814,3.915264449,3.389391248,7.806758437,0.553027314,0.552481196,3.136522024,1.219259033,0.322285765,0.670473968,0.260633095,0.396984921,0.305443228,0.14676993,4.678066822,5.22803904,11.13860166,0.505710952,0.849198078,3.701262902,1.56704316,0.520015619,0.639436283,0.270724961,0.552260558,0.502220527,0.38157211,5.788321681,8.539640152,17.34407255,0.459154425,1.436053195,3.309460707,1.325764,0.382854528,0.659507463,0.264197502,0.441820783,0.360580891,0.207031222,5.018079236,6.162180634,12.86005856,0.489261195,1.009432896,3.801179668,1.628570573,0.554982812,0.635146068,0.272120838,0.582392434,0.54204824,0.434506901,5.984733053,9.203907409,18.62425565,0.452719102,1.558947575,3.698260329,1.573627661,0.51917256,0.638615379,0.271733933,0.551526712,0.506947894,0.380283713,5.79106055,8.556704334,17.36918551,0.457923069,1.438758319 +UMLMON0254,L,2-Ethyl-3-Methyl-1-Butene,CCC(=C)C(C)C,81818,,"Sandia, UML",[1],C7H14,PubChem,,82,0,0.3401,0.11566801,31.719,21.925516,0,0,21,9,12,0,7,0,2,0,0,0,0,0,0,0,1533.977617,1587.361749,1835.288765,1649.928564,1273.507338,692.998491,324.940057,76.792464,6.096384,3770.404799,4826.129313,5918.509592,5245.349781,4103.270915,3283.653005,2371.75072,1071.022993,186.5024666,160.108612,160.756332,289.480172,333.608376,244.68672,187.768236,181.090468,143.083584,40.310784,26.14406286,34.11395172,45.05843651,40.21634825,29.30843177,26.36183343,23.26926229,12.68152803,2.667677429,3477.474889,3058.266694,6006.696123,7392.131951,5026.742114,3883.978882,4304.604196,3724.295171,1109.505912,90.80555556,55.80555556,101.75,109,111.4166667,70.25,37,24.5,6,73.04655319,75.58865471,48.29707276,37.49837645,42.4502446,28.87493712,12.4976945,3.656784,1.016064,179.5430857,229.8156816,155.7502524,119.212495,136.7756972,136.8188752,91.22118153,51.00109489,31.08374443,7.624219619,7.655063429,7.617899263,7.582008545,8.156224,7.8236765,6.965018,6.813504,6.718464,1.244955374,1.624473891,1.185748329,0.914007915,0.976947726,1.098409726,0.894971627,0.603882287,0.444612905,165.5940423,145.6317473,158.0709506,168.0029989,167.5580705,161.8324534,165.5616999,177.3473891,184.917652,4.324074074,2.657407407,2.677631579,2.477272727,3.713888889,2.927083333,1.423076923,1.166666667,1,0.267190446,-0.162950503,0.035769029,0.037475553,-0.012478544,-0.047597501,0.003898193,0.008245397,0.004043154,751.701177,23.55958476,-73.33320653,220.8998048,-309.1760712,-557.5467739,-100.9300336,264.898665,155.7774423,1018.843734,-53.60334839,-352.3513046,226.8731107,-74.11378468,-458.4294915,-288.1000438,283.4622295,206.8407658,1.933471238,0.001383619,0.712137569,-0.271005642,-1.245007293,-0.927048272,0.252488372,0.370822095,0.139493932,4.548872301,-0.569345339,-1.785416275,0.173024958,0.511190705,-0.686013588,-1.432188613,0.790694985,0.723617017,25.57408015,-3.679573811,-9.715784514,-0.707339888,3.692264117,-1.706775385,-7.902382457,3.605386853,3.627165011,37.36507937,0.238095238,10.21371882,-2.894557823,-20.15249433,-17.03231293,3.462018141,5.357142857,2.12585034,0.012723355,-0.007759548,9.41E-04,8.52E-04,-4.16E-04,-0.001983229,1.50E-04,3.93E-04,6.74E-04,35.79529414,1.121884989,-1.929821225,5.020450108,-10.30586904,-23.23111558,-3.88192437,12.61422214,25.96290705,48.51636829,-2.5525404,-9.272402753,5.15620706,-2.470459489,-19.10122881,-11.08077092,13.49820141,34.47346096,0.092070059,6.59E-05,0.018740462,-0.006159219,-0.041500243,-0.038627011,0.009711091,0.017658195,0.023248989,0.216612967,-0.027111683,-0.046984639,0.003932385,0.01703969,-0.028583899,-0.055084177,0.037652142,0.120602836,1.21781334,-0.175217801,-0.25567854,-0.016075907,0.123075471,-0.071115641,-0.303937787,0.171685088,0.604527502,1.779289494,0.011337868,0.268782074,-0.065785405,-0.671749811,-0.709679705,0.133154544,0.255102041,0.35430839,-0.609866503,0.073981293,0.066941239,-0.032691964,-0.155873139,0.01178388,0.030859623,0.052962367,0.031341689,-0.053912708,0.140254473,-0.287911282,-0.648999153,-0.108447897,0.352398896,0.725316209,-0.052611943,-0.191119061,0.10627768,-0.050920124,-0.393706897,-0.228392423,0.278219535,0.710553205,7.16E-04,0.203545676,-0.066897091,-0.450746351,-0.419539335,0.105475019,0.191790852,0.252514106,-0.125161865,-0.216905938,0.01815397,0.078664221,-0.131958395,-0.254297692,0.173822199,0.556766467,-0.143879029,-0.209948874,-0.013200633,0.101062672,-0.058396175,-0.249576661,0.140978164,0.496404073,0.006372133,0.151061463,-0.036972851,-0.377538233,-0.398855671,0.074835795,0.143372982,0.199129142,1.551729417,0.937560508,1.243862393,1.869424653,1.121594427,0.111946097,0.054496703,6.71E-05,0.950545234,1.021715061,0.839619557,1.44718026,1.677252637,0.867224789,0.383466743,0,1.310951533,1.23276712,0.784341899,0.896060845,1.343704499,1.18980418,0.526103889,0,0.679257952,0.708216271,1.18367513,2.403545796,1.762697543,0.066047809,0.029204813,0,1.500880979,1.297332502,0.846465556,0.76901665,1.11795638,1.191329923,0.526778537,0,1.532055428,1.296707418,0.878612534,0.787465286,1.068882421,1.151056929,0.508970751,0,0.526762957,0.493393105,0.997866301,2.706527896,2.189358539,0.069480753,0.035046729,0,38.04700796,19.27350398,29.4042168,38.43589685,4.270655205,19.273504,0.5,9.43E-04,1.05E-04,-6.270038424,43.06239309,4.784710344,3.38638506,38.06021616,19.27937366,29.41328113,38.44796262,4.271995847,19.27937368,0.498531158,0.00127026,1.41E-04,-6.001680466,43.09665531,4.788517257,3.387100852,49.86076561,24.53138833,38.04390982,49.41743841,5.49082649,24.53138833,-0.797988956,0.216694553,0.024077173,-1.376339857,54.59571466,6.066190518,3.599959854,38.07407874,19.28553417,29.42279638,38.46062621,4.273402912,19.28553419,0.4969896,0.001613782,1.79E-04,-5.786257461,43.13277488,4.792530543,3.387854832,62.49726325,30.16633736,47.92531275,61.29471407,6.810523785,30.16633736,-2.164588529,0.329748891,0.036638766,-0.998481465,36.88477027,4.098307808,3.247018862,39.43183084,19.88904961,30.36366215,39.70115069,4.411238965,19.88904962,0.346268372,0.034186235,0.003798471,-3.038338973,47.63727007,5.293030008,3.477253896,35.84429084,18.09362364,28.18209227,36.37582728,4.041758587,18.09362372,1.228911565,0.241897402,0.026877489,-1.27731744,38.73016999,4.303352221,3.290956994,0,11.9,15.99591815,-0.315716656,0.264595025,4.277932207,7.590818162,9,21,20,20,8,1,1,0,0,1,15.992484,3.718256405,3.249042579,2.853948838,2.028500884,1.937578966,1.771635806,1.001278941,0.921882463,1.979780424,1.648725365,1.078796816,0.944577813,0.836382436,0.578838767,0.24742689,0.083923071,3.69117741,3.167539901,2.757348098,2.095899225,1.920716384,1.735223575,1.042415119,0.60421146,1.949284373,1.611009745,1.152501273,0.824985323,0.729668438,0.528266381,0.163734017,0.270913902,3.810376222,3.391881871,2.997799223,2.386450742,2.284043973,2.100825742,1.552993003,1.226712891,1.794919669,1.3414789,0.868035221,0.442532316,0.294227471,0.080647084,0.395593119,0.943918427,3.696422563,3.164907155,2.728325965,2.145396886,1.954904833,1.757352351,1.118398253,0.459592348,1.934113309,1.592529891,1.183228313,0.746119641,0.662530616,0.476086024,0.074550044,0.399277246,3.842662164,3.438526744,3.019560763,2.521841838,2.411468269,2.219537458,1.748840245,1.208936353,1.758753139,1.284185786,0.84929841,0.314197015,0.161929115,0.035954479,0.585676236,1.207644823,5.129930127,3.595784525,3.466619552,2.682268737,2.218588382,2.111240345,1.663443014,1.341615228,1.87875259,1.32747258,0.718758003,0.627679291,0.429062625,0.088026106,0.360261287,0.636363636,0,0,1,0,0,2,3,1,0,0,0.204124145,0.11785113,0.201184464,0.142258898,0,0.204124145,0.102062073,0.083333333,0.046473128,0.402368927,0,0.11785113,0,0.19245009,0,0.024056261,0,1.020220057,1.123773448,1.020220057,0.424037348,0.338579069,0.267777172,6.690234444,4.342535255,3.456942334,2.698584704,1.495781916,0.804737854,0.284517797,0.11785113,0.743359383,0.482503917,0.314267485,0.207583439,0.149578192,0.100592232,0.071129449,0.058925565,5.722273975,3.509201922,2.37987538,1.725101515,0.699936434,0.36785113,0.142258898,0.058925565,0.635808219,0.389911325,0.216352307,0.132700117,0.069993643,0.045981391,0.035564725,0.029462783,11.68056503,20.98834669,20.05098039,20.36,12.75180599,161.2212671,0.556217382,0.99944508,0.95480859,0.96952381,0.607228857,7.677203194,1.3496,33.974,28.63198205,42.64215309,57.2639641,6.362662678,28.63198205,0.180717926,0.02007977,-1.539736095,47.42710371,5.26967819,3.473274486,81,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,1,0,0,0,0,0,0,0,0,0,0,1,0,4,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.6099537,0.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.487569444,0.5125,0,0,0,0,0,0,0,0,0,0,1.843815193,0,3.802064437,0,0,0,0.240694444,0,0,0.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.80310185,4.806851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.806851852,0.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305625,0.5125,0,0,0,0,0,0,0,0,0,0,1.843815193,0,0.523148148,0,0,0,0.240694444,0,0,0.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.80310185,4.806851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.80310185,0.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,1.843815193,0,1.19789777,0,0,0,0.240694444,0,0,0.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.80310185,4.806851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.5,2.388888889,0.555902778,10.80310185,0.203055556,0.003472222,2.730928777,1.663194444,3.803101852,10.21990741,1.663194444,3.803101852,10.21990741,4.16666,0.46296,0,0.03704,0.54444,0.87037,0.43333,0.54444,0.87037,0.11111,0,-0.11111,0,0.53191,0.18238,0,0.2,0.24,0,6.75,0.75,5.25,0.58333,1.5,0.16667,-3.75,-0.41667,0,0,6.63077,0.73675,9.56078,2.93001,0.32556,3.28896,0.36544,4.34252,1.05356,0.11706,0.07148,0.00794,0.15748,0.0175,0.19047619,9.02,2,2,2,2,0,0,0.857142857,1.312744353,2.117344208,3.236857303,3.499227542,3.499227542,3.499227542,27.56763142,44.46422837,67.97400337,73.48377838,73.48377838,73.48377838,0.298872833,0.482056282,0.736936107,0.796670005,0.796670005,0.796670005,3.07957307,2.274973215,1.155460119,0.893089881,0.893089881,0.893089881,0.294374814,0.474801362,0.72584526,0.784680166,0.784680166,0.784680166,11.97240834,22.00807466,24.57835776,24.84278106,24.84278106,24.84278106,32.89486864,21.12137959,18.65498944,18.02554045,18.02554045,18.02554045,7.111111111,3.239669421,1.704142012,5,3,2,2.01,1.0607,0,1.142976172,0.577350269,0,2.575122657,4.298279727,0,1,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.428,0.426,0.669,0.273,3.985,11,13,10,8,4,2,0,0,0,66,2.397895273,2.63905733,2.833213344,2.63905733,2.397895273,1.609437912,1.098612289,0,0,0,4.356708827,1.166666667,0.5,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,4,0.444444444,0,3,6,1,1.5,1,0.5,0.262222222,0.090277778,0.04,0,0,0,0,0.166666667,0.111111111,0.0625,0.043703704,0.030092593,0.04,0,0,0,0,0.454074074,22.13476893,33.45423051,44.26953785,4.918837539,22.13476893,0.102912141,0.011434682,-2.046491685,74.46950211,8.274389123,3.879350707,26.3,132.2158871,4.169925001,3.713572067,4.48863637,5.293304825,6.09356977,6.906754779,7.715569535,8.530898838,9.343209045,10.15917574,80.24469096,2.944438979,0,4.262679877,0,5.746203191,0,7.304515946,0,8.898228986,9.128479345,128.0837296,6.09922522,17.23351841,1.914835379,5.309704203,5.309704203,0,96,8,1.439,40,1.311422581,2.279950978,3.061076247,3.96927262,4.99964309,5.643226919,6.214221372,7.192067047,0,0,114.1445281,118.2433671,128.4748756,184.8276221,152.4962365,75.07245212,24.06377359,7.307600412,0,0,336.3173356,378.3668977,393.1504676,579.790901,706.2639676,531.5080341,327.0367017,223.556374,0,0,10.08860191,17.40645163,23.34095875,32.33355389,39.09453596,39.35818467,42.38883853,48.31964354,0,0,2.319382937,2.848147341,2.943903989,4.097960229,5.63051107,5.164024567,3.833459857,3.197685822,0,0,188.0169184,356.0375415,509.9289532,658.2195338,805.5436724,930.2676978,1098.235338,1329.940152,0,0,3.51948882,6.176789038,7.924758302,14.7648383,14.59990487,8.117130995,7.345358878,7.192067047,0,0,0.517055202,0.664082853,0.736476245,1.063937612,1.317888785,1.11863146,0.856546993,0.736467666,0,0,358.1664335,270.7681528,12.85781036,127.6360373,-96.49082332,-17.02191896,230.5303962,367.2589761,29.87972932,0.737267624,0.557362651,0.026467157,0.262732376,-0.198621516,-0.035038766,173.9981383,131.5398376,6.24635604,62.00590227,-46.87548037,-8.269290288,0.349961559,0.417572138,2.245187092,2.984887082,429.491975,56.31049577,0.884087671,0.115912329,645.8627367,25.41382964,8.643973156,762.1071697,27.60628859,9.134231532,1101.916839,33.19513276,10.32879378,1.285631383,1.253812828,707.2579677,585.5694745,177.0164671,1.207812221,3.995436015,3.307994359,4.531422676,4.755382186,7.844401318,0.649583779,3.360032699,3.064326567,4.287631048,9.939350532,12.42570313,4.753845689,3.457510815,5.385117182,5.635237223,5.027525765,2.528325627,1.797794243,2.427174965,0.201056526,0.097599667,2.16E-19,1.01E-58,9.11E-120,1.59E-202,5.33E-307,0,0,0,0,0,0,0,0,0,0,0.298491782,3.215310093,2.224579036,3.517419691,3.593579802,1.507865694,1.810253661,0.631269396,1.394405941,0.684425001,0.889537823,0.0570473,0.126697483,0.001417696,6.87E-04,1.52E-21,7.11E-61,6.42E-122,1.12E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0.91615042,2.934226358,2.437018514,3.110703091,3.935896529,1.802914476,1.429657181,1.231207578,1.876218908,1.24984341,1.009216646,0.207348488,0.459731421,0.014760621,0.007163263,1.58E-20,7.41E-60,6.69E-121,1.16E-203,3.91E-308,0,0,0,0,0,0,0,0,0,0,3.176711882,3.214892366,4.653053596,10.21618252,12.76787353,4.782206749,3.733734734,5.823630499,6.011215402,4.767180774,2.352014546,1.618696838,2.238037147,0.179138873,0.086959546,1.92E-19,8.99E-59,8.12E-120,1.41E-202,4.75E-307,0,0,0,0,0,0,0,0,0,0,1.342655413,2.827423027,2.504488713,3.328956408,4.393614773,2.028710721,1.379348235,1.535244582,2.137252555,1.70312228,1.155156872,0.371400929,0.728891092,0.03205801,0.015559565,3.44E-20,1.61E-59,1.45E-120,2.53E-203,8.50E-308,0,0,0,0,0,0,0,0,0,0,4.057749124,3.159790555,5.249228004,13.07529854,16.553297,6.186757578,4.413810983,7.316162734,7.391348459,6.592208845,3.267478797,2.54326383,3.182313002,0.293216703,0.142339941,3.14E-19,1.47E-58,1.33E-119,2.31E-202,7.77E-307,0,0,0,0,0,0,0,0,0,0,2.246029208,3.639795809,4.322083688,13.78086495,12.22249672,4.019226535,7.603067157,8.777059352,6.217638658,3.571719163,1.754123273,0.802001385,1.530104068,0.081423902,0.039523832,8.73E-20,4.09E-59,3.69E-120,6.43E-203,2.16E-307,0,0,0,0,0,0,0,0,0,0,6.443247605,1.374123279,0.661817468,0.759889666,0.162058351,0.629117102,0.542253016,0.375593225,8.479188352,14.02748913,28.36628792,0.639834499,1.546963343,4.371936782,1.276607808,0.220949101,0.744857566,0.217498796,0.297174457,0.457043756,0.041401213,5.869493691,6.82928948,13.93195504,0.617286348,0.795619427,5.42859698,1.192936841,0.400718299,0.773056405,0.169879523,0.448539389,0.412529326,0.137322377,7.02225212,9.129343103,18.74663624,0.659584608,0.998391091,6.219716431,1.409855292,0.629903392,0.753040156,0.170695507,0.587229464,0.573006629,0.339984261,8.259475115,13.57479324,27.35782829,0.629560234,1.500220354,5.916011449,1.18000029,0.492750805,0.779575249,0.15549311,0.530694236,0.401353891,0.208183308,7.588762544,10.47746072,21.506065,0.669362873,1.140231436,6.52710298,1.413194883,0.691391479,0.756179089,0.163721703,0.645599669,0.573342506,0.409838125,8.631689342,14.71392282,29.72305454,0.634268633,1.6287803,6.25635809,1.441603928,0.633562772,0.750925941,0.173030023,0.594257313,0.599250902,0.344122526,8.33152479,13.89633255,27.94208062,0.626388911,1.537630741 +UMLMON0255,L,ethylcyclobutanate,CCOC(=O)C1CCC1,84700,,UML,[1],C7H12O2,UML,"ethylcyclobutanoate (spelling, esters usually end -anoate)",63.9,0,1.3062,1.70615844,36.2266,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1432.661672,1388.302447,977.777812,541.002002,152.483184,15.24096,0,3885.475125,4800.404174,6285.345707,6872.97297,6027.996325,3969.140209,1852.693924,466.2561665,0,167.819552,166.665724,297.5336,367.089532,418.770256,371.626184,205.944768,100.77696,0,29.42500648,37.33900896,52.14452968,59.59782287,56.79079623,40.73843634,20.6966326,6.669193573,0,3973.037281,3337.521256,6602.062723,8255.001704,9876.917704,9296.99474,5197.783413,2773.76478,0,46.05555556,51.80555556,73.16666667,94.83333333,100.1666667,78.5,44,15,0,48.76541633,52.3287937,34.11099219,26.69812398,16.29629687,10.01855559,5.0827728,1.016064,0,161.8947969,208.713225,149.6510883,132.1725571,100.4666054,73.50259646,61.75646414,31.08374443,0,6.992481333,7.246335826,7.084133333,7.059414077,6.979504267,6.88196637,6.8648256,6.718464,0,1.226041937,1.623435172,1.241536421,1.146111978,0.946513271,0.754415488,0.689887753,0.444612905,0,165.54322,145.1096198,157.1919696,158.7500328,164.6152951,172.1665693,173.2594471,184.917652,0,1.918981481,2.252415459,1.742063492,1.823717949,1.669444444,1.453703704,1.466666667,1,0,0.046483467,-0.007659014,-0.003705504,-0.013244124,-0.011336969,0.007069312,-0.007406816,0.013041381,0,645.6853813,-53.80711511,3.23E-13,-228.6802392,-282.4873543,80.71067267,-40.35533633,201.7766817,0,1200.679538,-100.0566282,8.53E-14,-425.2406698,-525.297298,150.0849423,-75.04247115,375.2123557,0,0.126485333,-0.010540444,1.84E-15,-0.044796889,-0.055337333,0.015810667,-0.007905333,0.039526667,0,5.367596186,-0.447299682,7.30E-15,-1.901023649,-2.348323331,0.670949523,-0.335474762,1.677373808,0,29.15686767,-2.429738973,-7.31E-14,-10.32639063,-12.75612961,3.644608459,-1.822304229,9.111521147,0,6.013888889,-1.960069444,1.15625,-0.75,-2.520833333,1.322916667,-1.53125,1.276041667,0,0.001936811,-3.33E-04,-8.82E-05,-2.55E-04,-1.89E-04,1.31E-04,-2.47E-04,8.69E-04,0,26.90355756,-2.339439787,7.70E-15,-4.397696908,-4.708122572,1.494642086,-1.345177878,13.45177878,0,50.0283141,-4.350288182,2.03E-15,-8.177705189,-8.754954967,2.779350783,-2.501415705,25.01415705,0,0.005270222,-4.58E-04,4.39E-17,-8.61E-04,-9.22E-04,2.93E-04,-2.64E-04,0.002635111,0,0.223649841,-0.019447812,1.74E-16,-0.036558147,-0.039138722,0.012424991,-0.011182492,0.111824921,0,1.214869486,-0.105640825,-1.74E-15,-0.198584435,-0.21260216,0.067492749,-0.060743474,0.607434743,0,0.250578704,-0.085220411,0.027529762,-0.014423077,-0.042013889,0.024498457,-0.051041667,0.085069444,0,-0.171932407,-0.045552343,-0.131502083,-0.097556997,0.067592131,-0.127474421,0.448895294,0,-0.086956522,2.86E-16,-0.163461538,-0.175,0.055555556,-0.05,0.5,0,-0.086956522,4.06E-17,-0.163461538,-0.175,0.055555556,-0.05,0.5,0,-0.086956522,8.33E-15,-0.163461538,-0.175,0.055555556,-0.05,0.5,0,-0.086956522,7.77E-16,-0.163461538,-0.175,0.055555556,-0.05,0.5,0,-0.086956522,-1.43E-15,-0.163461538,-0.175,0.055555556,-0.05,0.5,0,-0.340094387,0.109864731,-0.057559069,-0.167667436,0.097767513,-0.20369515,0.339491917,0,1.503034103,1.045122314,1.162210545,1.086630222,0.777141648,0.950498274,0.094781303,0,1.5,1.129464286,1.243990385,1.1140625,0.71875,0.790625,0,0,1.5,1.129464286,1.243990385,1.1140625,0.71875,0.790625,0,0,1.5,1.129464286,1.243990385,1.1140625,0.71875,0.790625,0,0,1.5,1.129464286,1.243990385,1.1140625,0.71875,0.790625,0,0,1.5,1.129464286,1.243990385,1.1140625,0.71875,0.790625,0,0,1.732101617,0.596942703,1.175741695,1.237644342,0.693482166,1.27482679,0,0,34.55744897,17.27872449,26.13136003,34.55744897,4.319681121,17.27872459,1.07E-14,0.161168479,0.02014606,-1.460244007,33.02063096,4.127578871,2.797706037,34.55744897,17.27872449,26.13136003,34.55744897,4.319681121,17.27872459,1.07E-14,0.161168479,0.02014606,-1.460244007,33.02063096,4.127578871,2.797706037,34.55744897,17.27872449,26.13136003,34.55744897,4.319681121,17.27872459,1.07E-14,0.161168479,0.02014606,-1.460244007,33.02063096,4.127578871,2.797706037,34.55744897,17.27872449,26.13136003,34.55744897,4.319681121,17.27872459,1.07E-14,0.161168479,0.02014606,-1.460244007,33.02063096,4.127578871,2.797706037,34.55744897,17.27872449,26.13136003,34.55744897,4.319681121,17.27872459,1.07E-14,0.161168479,0.02014606,-1.460244007,33.02063096,4.127578871,2.797706037,34.55744897,17.27872449,26.13136003,34.55744897,4.319681121,17.27872459,1.07E-14,0.161168479,0.02014606,-1.460244007,33.02063096,4.127578871,2.797706037,50.09086373,24.81105686,38.84153499,49.73930123,6.217412653,24.81105686,-0.46875,0.196878608,0.024609826,-1.300134355,29.07950662,3.634938328,2.696026949,0,11.89,12.11011416,-0.171565448,0.05102866,5.306776088,8.765879726,7,23,22,22,6,1,1,0,0,1,17.491312,3.590684639,3.16010056,2.756779838,2.237000525,2.220665565,1.536325241,1.149017434,0.376879111,1.926071206,1.671277238,1.445527815,1.142887906,1.107624617,0.694279151,0.452323488,0.083923071,3.611480051,3.194790443,2.805673737,2.307137471,2.289373342,1.629757103,1.260776038,0.498801464,1.873489138,1.597660701,1.351268992,1.028148467,0.995256194,0.554014103,0.301554739,0.270913902,3.706059982,3.347578325,3.018123255,2.600892813,2.577008622,2.015277246,1.707414835,0.960747079,1.725559151,1.378026564,1.059732689,0.656358357,0.631303587,0.086743077,0.212050256,0.943918427,3.626967528,3.220377903,2.841614451,2.358096165,2.339284039,1.697378512,1.340758708,0.584623846,1.840587856,1.550472777,1.289942426,0.952182384,0.920879472,0.460166663,0.199928855,0.399277246,3.753988139,3.421774277,3.119027431,2.734290717,2.707587959,2.186380653,1.899236901,1.207644823,1.681607566,1.308883941,0.964862884,0.528928296,0.506557967,0.078117733,0.398811382,1.145139223,3.651765134,3.242431722,2.907688921,2.560022204,2.381808189,1.715324663,1.371889117,0.641697742,1.891330339,1.508672258,1.203444741,0.889334053,0.708359139,0.401227258,0.136926569,0.533333333,0,0,1,0,1,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.40824829,0,0.144337567,0,1.207106781,0.666666667,0.666666667,0.841260992,0.49279928,0.450523785,6.568914101,3.680739213,3.009975955,1.882088123,0.788675135,0.333333333,0,0,0.821114263,0.525819888,0.376246994,0.268869732,0.197168784,0.166666667,0,0,6.198670613,3.334933866,2.536075375,1.562948829,0.679412342,0.24639964,0,0,0.774833827,0.476419124,0.317009422,0.223278404,0.169853085,0.12319982,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,54,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,5,2,0,1,0,0,0,0,0,0,0,0,3,1,2,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.185555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.34625,0,0,0,1.219652778,0.580555556,0,0.34625,0,0,0,0,0,0,0,0,6.533333333,3.873657407,2.558888889,0,0,0,0.722222222,0,0,1.311898148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.311898148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.34625,0,0,0,0.216944444,0.290277778,0,0.34625,0,0,0,0,0,0,0,0,2.097546296,3.873657407,1.271851852,0,0,0,0.722222222,0,0,1.311898148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.873657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.34625,0,0,0,0.290277778,0.290277778,0,0.34625,0,0,0,0,0,0,0,0,2.228009259,3.873657407,1.287037037,0,0,0,0.722222222,0,0,1.311898148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15,1.875,0.34625,3.873657407,0.043819444,0.722222222,5.409574306,0.611111111,0.873657407,2.813981481,0.611111111,0.873657407,2.813981481,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.5,0.25,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.58051,0.94756,9.01229,1.43178,0.17897,3.15631,0.39454,3.68073,0.52442,0.06555,0.23327,0.02916,0.23327,0.02916,0,7,0,0,0,0,0,0,0.75,0.918295834,2.114005463,3.323934896,3.740601563,3.740601563,3.275188021,22.03910002,50.73613111,79.77443751,89.77443751,89.77443751,78.60451251,0.200284263,0.461073665,0.724964467,0.815841255,0.815841255,0.714332564,3.666666667,2.470957038,1.261027604,0.844360938,0.844360938,1.309774479,0.200284263,0.461073665,0.724964467,0.815841255,0.815841255,0.714332564,6.73287657,17.09808847,20.1495148,20.5694419,20.5694419,14.9844794,31.59900002,18.70284314,15.80676719,14.52844636,14.52844636,13.52844636,8,3.9375,3.673469388,8,2,6,2.34,1.1928,1.72030651,3.150627212,4.521745165,0,1,2.149139864,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.108,0.104,0.16,3.408,8,7,4,2,0,0,0,0,0,36,2.197224577,2.397895273,2.302585093,1.791759469,1.386294361,0,0,0,0,0,3.784189634,1.194444444,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,5,0.666666667,2,1.111111111,0.375,0.16,0,0,0,0,0,0,0.285714286,0.138888889,0.053571429,0.04,0,0,0,0,0,0,0.518174603,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,0,144.287877,4,3.433987204,4.110873864,4.844187086,5.556828062,6.289715571,7.01301579,7.744569809,8.471568013,9.202207389,71.66695279,2.708050201,0,3.850147602,0,5.176149733,0,6.577861358,0,8.011355109,8.288283045,112.1252005,4.671883355,14.49604135,1.812005168,0,0,0,70,7,3.954,30,1.226391304,2.12425115,2.934458593,3.588065307,4.291030576,5.507877996,6.446029286,0,0,0,74.73814722,82.50600298,86.95503264,68.87037777,52.80583648,30.25472448,6.5495783,0,0,0,280.6431588,346.1648765,411.4992168,390.843163,354.06536,357.1885962,200.3667269,0,0,0,8.920641989,15.11083768,20.765321,25.11440627,29.66120877,37.89193924,43.3074157,0,0,0,2.124868553,2.808578287,3.504639289,3.583487983,3.505580965,3.936090389,2.865987805,0,0,0,175.8569114,329.4559529,462.3231935,585.4699737,728.7569707,947.8146877,1191.9846,0,0,0,2.822032609,3.866268635,5.495544145,6.155439713,6.599593331,8.265616637,6.446029286,0,0,0,0.4404825,0.590494118,0.74295215,0.769553159,0.763403942,0.869928994,0.660073399,0,0,0,377.8667065,177.5037813,10.55338188,158.9729331,-74.67791225,-10.33181338,218.8937734,252.1816935,20.88519526,0.703872588,0.330645817,0.019658351,0.296127412,-0.139106554,-0.019245623,202.8538265,95.29106596,5.665473728,85.34297213,-40.0900635,-5.546526969,0.113762384,0.211718681,2.710439524,4.394456228,536.8396396,0,1,0,457.3961477,21.38682182,7.704849633,612.8133496,24.75506715,8.493944243,773.6234577,27.8140874,9.180011177,1.521939252,1.467092504,561.2447751,475.2548825,129.2421115,1.180934264,4.342584383,3.6772448,4.270861022,4.462585949,7.652389268,0.714788097,4.625737202,5.862544279,5.420842198,18.25873211,5.692890642,8.561473079,10.17130442,11.4005826,9.961222521,2.946082545,3.077315889,1.033338581,3.850075463,1.432305862,1.13E-05,1.26E-31,2.70E-79,1.12E-148,8.90E-240,0,0,0,0,0,0,0,0,0,0,0,0.388216777,5.862267947,0.228768428,7.772439693,1.589633337,1.377197246,0.765739069,0.550336512,2.677931057,0.063924143,0.055885642,0.058804505,0.213495371,0.010087847,7.96E-08,8.85E-34,1.90E-81,7.86E-151,6.27E-242,0,0,0,0,0,0,0,0,0,0,0,1.253185036,5.862286994,0.887519129,9.109533508,1.885425472,2.389177533,2.16235762,1.986052952,3.340886378,0.327149796,0.31369621,0.144738154,0.761417388,0.105123147,8.30E-07,9.23E-33,1.98E-80,8.19E-150,6.53E-241,0,0,0,0,0,0,0,0,0,0,0,4.366319238,5.862514146,4.961104625,17.33255885,5.250031834,7.960875627,9.410391152,10.46073619,9.223939879,2.654634809,2.765369342,0.933706349,3.558680897,1.276158737,1.01E-05,1.12E-31,2.40E-79,9.94E-149,7.93E-240,0,0,0,0,0,0,0,0,0,0,0,1.84695863,5.862311161,1.458814516,10.26594725,2.249340274,3.218815855,3.27645856,3.202943381,4.040563865,0.60437022,0.597248164,0.237277842,1.195264569,0.228341522,1.80E-06,2.00E-32,4.30E-80,1.78E-149,1.42E-240,0,0,0,0,0,0,0,0,0,0,0,5.586245157,5.862670854,7.284140469,22.01063385,7.550213393,10.96777013,13.19880373,15.19333634,13.02191651,4.15576081,4.376486108,1.447617039,5.007056715,2.08888349,1.65E-05,1.83E-31,3.93E-79,1.63E-148,1.30E-239,0,0,0,0,0,0,0,0,0,0,0,2.625107179,4.354098193,1.960343879,11.0811337,2.826705383,5.001756843,4.610831504,4.621306906,5.367555772,0.940701888,1.002565889,0.37434515,1.78470687,0.407411445,3.22E-06,3.58E-32,7.67E-80,3.17E-149,2.53E-240,0,0,0,0,0,0,0,0,0,0,0,5.041330972,1.535554502,0.555322015,0.706840201,0.21529863,0.501396256,0.423632997,0.456214087,7.13220749,11.39352777,22.82461541,0.560260301,1.38124334,4.059656953,0.963231301,0.19333017,0.778275874,0.184660845,0.327505721,0.171477293,0.055718411,5.216218423,4.881464485,10.85367901,0.667413811,0.554701425,4.447966959,1.192039825,0.337180305,0.744157225,0.199431573,0.39165439,0.259770408,0.168941777,5.977187089,7.203852964,14.96882187,0.616235838,0.820366576,5.016879055,1.521527026,0.546366918,0.708121355,0.214760166,0.496591507,0.416227864,0.44169445,7.084772999,11.20568585,22.46105077,0.562182032,1.354513821,4.621758073,1.293361183,0.401262889,0.731709698,0.204762972,0.422321745,0.304267289,0.238933319,6.316382145,8.35112033,17.06609252,0.597564547,0.965522354,5.117925983,1.579429851,0.583356383,0.702943041,0.216933427,0.51660502,0.44717965,0.503173031,7.280712216,11.99035034,23.98656851,0.554414561,1.466957702,5.023997192,1.531258908,0.546183442,0.707461799,0.21562655,0.498113806,0.422130989,0.441198477,7.101439542,11.2734128,22.57666366,0.561192698,1.361443271 +UMLMON0256,L,"2,3-Dimethyl-1-Hexene",CCCC(C)C(=C)C,86061,,"Sandia, UML",[1],C8H16,PubChem,,83.6,0,0.9738,0.94828644,39.3749,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,2106.57486,2021.920666,1141.35202,421.037737,93.979872,9.144576,0,4371.159516,5876.91121,8897.306245,10196.89575,7964.343121,4033.364857,1341.178331,279.7536999,0,188.796996,195.98202,384.63672,550.62244,625.114192,451.824868,183.793536,60.466176,0,33.10313229,45.14389758,72.20848416,88.89352217,78.15636024,44.39843551,16.01813686,4.001516144,0,4469.666941,3897.355064,8334.220529,12379.7691,15042.90601,11542.33476,4802.005979,1664.258868,0,42.08333333,51.02777778,84.69444444,120.6944444,126.1666667,82.5,33,9,0,48.76541633,56.15943233,39.01064556,25.92205982,12.68168911,6.379359652,3.480736,1.016064,0,161.8947969,217.6633782,164.7649305,130.7294327,88.49270135,61.11158874,49.67327153,31.08374443,0,6.992481333,7.258593333,7.122902222,7.059262051,6.945713244,6.845831333,6.807168,6.718464,0,1.226041937,1.671996207,1.337194151,1.139660541,0.868404003,0.672703568,0.593264328,0.444612905,0,165.54322,144.3464838,154.3374172,158.7149885,167.1434001,174.8838599,177.8520733,184.917652,0,1.558641975,1.889917695,1.568415638,1.547364672,1.401851852,1.25,1.222222222,1,0,0.035774736,-0.004474707,-3.52E-04,-0.014854912,-0.01512125,0.008060806,0.004024938,0.004830077,0,726.396054,6.89E-13,6.93E-13,-403.5533633,-363.198027,161.4213453,121.066009,121.066009,0,1350.764481,-6.39E-13,-6.75E-13,-750.4247115,-675.3822403,300.1698846,225.1274134,225.1274134,0,0.142296,2.05E-15,2.03E-15,-0.079053333,-0.071148,0.031621333,0.023716,0.023716,0,6.038545709,1.68E-14,1.67E-14,-3.354747616,-3.019272855,1.341899046,1.006424285,1.006424285,0,32.80147613,-1.98E-13,-1.97E-13,-18.22304229,-16.40073807,7.289216918,5.466912688,5.466912688,0,2.962962963,-1.333333333,0.435185185,-0.411522634,-1.024691358,0.58127572,-0.101851852,0.37345679,0,0.00132499,-1.66E-04,-6.52E-06,-1.90E-04,-1.68E-04,1.22E-04,1.49E-04,5.37E-04,0,26.90355756,2.55E-14,1.28E-14,-5.173761068,-4.035533633,2.44577796,4.483926259,13.45177878,0,50.0283141,-2.37E-14,-1.25E-14,-9.620829634,-7.504247115,4.548028554,8.33805235,25.01415705,0,0.005270222,7.59E-17,3.76E-17,-0.001013504,-7.91E-04,4.79E-04,8.78E-04,0.002635111,0,0.223649841,6.23E-16,3.08E-16,-0.043009585,-0.033547476,0.020331804,0.037274974,0.111824921,0,1.214869486,-7.34E-15,-3.65E-15,-0.233628747,-0.182230423,0.110442681,0.202478248,0.607434743,0,0.109739369,-0.049382716,0.008058985,-0.005275931,-0.01138546,0.008807208,-0.003772291,0.041495199,0,-0.125080081,-0.00492415,-0.14373509,-0.126803869,0.092176851,0.112507833,0.405040876,0,9.49E-16,4.77E-16,-0.192307692,-0.15,0.090909091,0.166666667,0.5,0,-4.73E-16,-2.50E-16,-0.192307692,-0.15,0.090909091,0.166666667,0.5,0,1.44E-14,7.14E-15,-0.192307692,-0.15,0.090909091,0.166666667,0.5,0,2.79E-15,1.38E-15,-0.192307692,-0.15,0.090909091,0.166666667,0.5,0,-6.04E-15,-3.01E-15,-0.192307692,-0.15,0.090909091,0.166666667,0.5,0,-0.45,0.0734375,-0.048076923,-0.10375,0.080255682,-0.034375,0.378125,0,1.570719345,1.082116933,1.228948011,1.058006254,0.652550768,0.592940917,1.65E-08,0,1.444444444,1.203703704,1.277777778,1.035185185,0.623737374,0.481481481,0,0,1.444444444,1.203703704,1.277777778,1.035185185,0.623737374,0.481481481,0,0,1.444444444,1.203703704,1.277777778,1.035185185,0.623737374,0.481481481,0,0,1.444444444,1.203703704,1.277777778,1.035185185,0.623737374,0.481481481,0,0,1.444444444,1.203703704,1.277777778,1.035185185,0.623737374,0.481481481,0,0,1.995138889,0.740277778,1.0515625,1.096875,0.758948864,0.975,0,0,38.33189522,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,-3.55E-15,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,38.33189522,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,-3.55E-15,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,38.33189522,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,-3.55E-15,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,38.33189522,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,-3.55E-15,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,38.33189522,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,-3.55E-15,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,38.33189522,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,-3.55E-15,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,46.0019026,22.86900686,32.68306569,45.79665569,5.088517299,22.86900686,-0.263888889,0.011931265,0.001325696,-3.985733706,39.52764968,4.391961075,3.309300377,0,11.89,12.11013444,-0.161883947,0.059292989,6.076143106,8.759332881,9,27,27,27,9,0,0,0,0,0,19.677726,3.692343094,3.111153377,2.910586584,2.491966121,2.228162312,1.888359015,1.293197769,1.016999831,2.025554051,1.624398772,1.507597489,1.297318073,1.122296208,0.873203622,0.540839862,0.377195559,3.714367331,3.144779676,2.950975494,2.552323956,2.297474018,1.965717227,1.397136819,1.132451016,1.975683879,1.548767931,1.422228425,1.192289103,1.009131631,0.750063592,0.393944648,0.219976496,3.811787904,3.295407213,3.129789259,2.8086968,2.587586062,2.287760743,1.819792765,1.598241094,1.831374797,1.325862984,1.165496808,0.857784143,0.642333563,0.348169673,0.103000863,0.317422958,3.730619117,3.169726474,2.980834872,2.596374262,2.347821619,2.021823684,1.472019226,1.215444133,1.944151858,1.500484016,1.367285652,1.123196853,0.934204221,0.668332448,0.295130444,0.113824519,3.859665742,3.369840593,3.216785994,2.927121813,2.719243076,2.432834875,2.004069614,1.799143569,1.78700034,1.256898942,1.084420877,0.745333283,0.516539854,0.209190496,0.281637788,0.512918933,3.706994019,3.242200096,3.064843146,2.752095718,2.485409433,2.124732094,1.573823068,1.325333559,1.954456694,1.415974167,1.275933994,0.944397598,0.768509969,0.531719765,0.154566123,0.036570631,0,0,0,0,0,3,3,3,0,0,0,0,0.068041382,0.204124145,0,0,0,0.068041382,0.204124145,0.760079655,0,0.166666667,0,0.760079655,0,0.166666667,0,1.478278096,1.558028605,2.075933094,1.478278096,1.558028605,2.075933094,6.853371151,4.198377303,3.872792013,2.860366219,1.816762979,1.33160016,0.504473335,0.068041382,0.761485683,0.466486367,0.322732668,0.220028171,0.139750998,0.095114297,0.072067619,0.068041382,6.853371151,4.198377303,3.872792013,2.860366219,1.816762979,1.33160016,0.504473335,0.068041382,0.761485683,0.466486367,0.322732668,0.220028171,0.139750998,0.095114297,0.072067619,0.068041382,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.0786,41.343,36.24670713,48.23696276,72.49341426,8.054823807,36.24670713,0.034470015,0.003830002,-3.030898907,80.37277837,8.930308707,3.948007987,67,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,7.152037037,0,4.383935185,0,0,0,2.964027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.377361111,0,1.459490741,0,0,0,0.980324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.389212963,0,1.463796296,0,0,0,0.996481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.5,1.611111111,0.2,2.389212963,0.2,0.980324074,6.462448565,0.353009259,0.389212963,2.304074074,0.353009259,0.389212963,2.304074074,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.33333,0.33333,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,10.41343,1.15705,10.41343,0,0,4.19836,0.46648,4.19836,0,0,0.21564,0.02396,0.30164,0.03352,0.222222222,9,0,0,0,0,0,0,1,0.918295834,1.446616668,2.623447687,3.003620372,3.276511689,3.355834261,24.79398752,39.05865003,70.83308754,81.09775004,88.4658156,90.60752505,0.193126721,0.304237833,0.551737067,0.631691154,0.689082904,0.705765228,3.836591668,3.308270835,2.131439816,1.75126713,1.478375813,1.399053241,0.193126721,0.304237833,0.551737067,0.631691154,0.689082904,0.705765228,6.73287657,13.07272657,16.50189266,17.69927539,17.97430209,18.36157335,35.54887502,26.03910002,23.8332514,21.58017408,20.84045497,19.97850325,7.111111111,2.722222222,1.704142012,0,0,0,2.45,1.2681,0.766309432,3.479380736,4.441492163,0,1.650963624,5.853800636,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.124,0.16,0.203,3.937,12,13,13,14,7,1,0,0,0,78,2.302585093,2.564949357,2.63905733,2.63905733,2.708050201,2.079441542,0.693147181,0,0,0,4.369447852,1,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,5,0.666666667,2.5,1.333333333,0.5625,0.413333333,0,0,0,0,0,0,0.277777778,0.111111111,0.05625,0.103333333,0,0,0,0,0,0,0.548472222,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,0,151.8638616,4.169925001,3.761200116,4.532599493,5.351858133,6.146329258,6.963189986,7.764296006,8.579416535,9.382695764,10.19694044,80.67852573,2.944438979,0,4.204692619,0,5.666426688,0,7.217443432,0,8.806723555,9.038602609,126.1408506,4.671883355,17.38201719,1.931335244,0,0,0,84,10,4.938,42,1.22699952,2.101630972,2.840238819,3.49035819,4.115963512,5.00809732,5.363830398,0,0,0,78.95148878,91.11723762,78.97458155,47.80761064,28.50346413,17.43290426,5.449994969,0,0,0,290.5400635,371.1463514,388.787801,321.293913,262.9894382,248.7764193,166.7279333,0,0,0,8.938429587,15.02120526,20.09851051,24.28045834,28.22348218,34.09099723,36.03670143,0,0,0,2.17886504,2.958404881,3.350345758,3.113871491,2.854104933,2.971188195,2.384828214,0,0,0,175.1121323,320.7291171,447.1681217,580.5617808,716.1870648,890.6975112,991.866923,0,0,0,2.362218352,3.387448363,4.473521501,4.967935765,5.269979306,6.121101571,5.363830398,0,0,0,0.45089223,0.619797973,0.711458912,0.674828803,0.630576096,0.665978551,0.549256233,0,0,0,328.4460507,150.515495,8.315569353,97.86820334,-44.84962154,-5.241575002,230.5778473,195.3651165,13.55714436,0.770431783,0.353062309,0.019505727,0.229568217,-0.105203195,-0.012295097,140.0212331,64.16690095,3.545045745,41.7226101,-19.12003295,-2.234558137,0.065203351,0.135969721,1.198660715,1.12888099,426.314254,0,1,0,620.8036052,24.91593075,8.530701456,795.1702547,28.19876335,9.264458536,1127.068646,33.57184305,10.40678996,1.450520005,1.450520005,436.4429157,334.4183774,202.7853414,1.305080537,2.15224095,1.649125006,3.925554801,4.044879394,6.288840458,0.554765877,5.020831515,7.454349673,11.74682904,13.10114814,20.10526751,11.80611298,14.75382903,11.01362749,10.23532752,1.423595462,2.970298503,0.011609476,1.09E-22,1.96E-64,6.85E-128,4.61E-213,5.981E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,0.4219314,6.526131582,0.761410327,5.933496736,2.193337405,1.77845177,2.138110388,0.643069395,0.340230257,0.049344093,0.020971772,8.18E-05,7.65E-25,1.38E-66,4.82E-130,3.25E-215,4.2E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,1.36066474,6.588157768,2.564143159,6.903192801,4.931372622,3.406546434,3.568085136,1.798852462,1.440116212,0.205498354,0.218135976,8.52E-04,7.97E-24,1.44E-65,5.03E-129,3.38E-214,4.39E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,4.739290068,7.352439744,10.9187847,12.48781014,18.68389329,11.04408165,13.57638326,10.038755,9.304121532,1.295470421,2.6465181,0.010343834,9.67E-23,1.75E-64,6.10E-128,4.11E-213,5.329E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,2.005075814,6.668577239,3.932196593,7.715351821,7.083572112,4.64852231,4.889740389,2.877622564,2.468295053,0.349618341,0.473693224,0.00185081,1.73E-23,3.13E-65,1.09E-128,7.35E-214,9.535E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,6.063252857,7.882866992,14.98929134,15.57023921,25.7367837,14.79577968,19.57336468,15.00917957,14.05267142,1.947937108,4.331732527,0.016931329,1.58E-22,2.86E-64,9.99E-128,6.72E-213,8.7227E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,3.331366715,6.124293858,6.455003502,9.20925574,11.05311429,7.203324135,8.265153368,5.744189697,5.196264407,0.74547378,1.144583435,0.004472616,4.18E-23,7.56E-65,2.64E-128,1.78E-213,2.3043E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,3.069862231,1.788559275,0.879265371,0.535034814,0.311721311,0.509235924,0.56899666,0.468303782,5.737686877,9.762472353,20.32788055,0.302552221,1.546536366,2.251611658,1.209649669,0.402263491,0.582786902,0.313094836,0.273373051,0.257874187,0.098965292,3.863524819,4.116000363,9.075154685,0.374180352,0.63021253,2.576002246,1.439386401,0.592492508,0.559042684,0.312374897,0.35801811,0.36669987,0.214354388,4.607881155,6.086950291,12.89171226,0.338564025,0.939072369,3.049550758,1.77420851,0.867528637,0.535827885,0.311741128,0.502482583,0.559804146,0.456078387,5.691287905,9.595288208,19.98037355,0.303741827,1.518365116,2.720867095,1.541869726,0.67693459,0.550819451,0.31214014,0.39957205,0.421456377,0.279310338,4.939671411,7.080816606,14.86037931,0.326229177,1.100338765,3.133466565,1.833493531,0.915989574,0.532635283,0.311662284,0.530680705,0.598267124,0.507544987,5.88294967,10.29487434,21.44035877,0.298952925,1.636492815,3.064786581,1.778389115,0.869115648,0.536524907,0.311326753,0.507449986,0.562358959,0.457378632,5.712291345,9.659662883,20.10896747,0.30478736,1.527187577 +UMLMON0257,L,"1,2,4-trimethylcyclohexane",CC1CCC(C(C1)C)C,91517, (cis)(trans)(trans) reported,UML,[1],C9H18,PubChem,,74.6,0,2.7773,7.71339529,43.102,29.17586,0,0,29,9,20,0,9,0,0,0,0,0,0,0,0,0,1318.698369,1396.254728,2161.094725,2391.048588,1280.631243,309.373344,27.433728,0,0,4433.327004,5682.867541,8620.516427,11464.48257,10335.18712,4862.796093,839.2610996,0,0,202.233924,202.676768,382.265428,515.149104,814.871532,732.779136,181.398528,0,0,33.9923581,44.5820862,69.20132001,96.26587017,103.2020439,60.05895902,12.00454843,0,0,4839.502245,4076.805803,8530.458067,10899.65576,19362.51851,19398.79454,4992.776605,0,0,49.375,57.9375,87.625,139.5,185.25,126,27,0,0,45.47235755,49.86624029,40.02027269,33.20900817,10.94556618,2.864568,1.016064,0,0,152.873345,202.9595551,159.6391931,159.2289246,88.33493264,45.02588975,31.08374443,0,0,6.973583586,7.238456,7.078989407,7.154848667,6.964713949,6.784992,6.718464,0,0,1.172150279,1.592217364,1.281505926,1.337025975,0.882068751,0.556101472,0.444612905,0,0,166.8793878,145.6002072,157.9714457,151.3841078,165.4916112,179.618468,184.917652,0,0,1.702586207,2.069196429,1.622685185,1.9375,1.583333333,1.166666667,1,0,0,0.037698578,-0.012969332,0.02387687,-0.018167497,-0.051071628,0.024887956,0.014594342,0,0,751.4441938,-57.58193056,400.0504626,-638.2957002,-977.7411809,583.0170469,314.8292053,0,0,1397.342566,-107.0760587,743.9109179,-1186.938111,-1818.151477,1084.145094,585.438351,0,0,0.147202759,-0.011279905,0.078367139,-0.125037746,-0.191532785,0.114209037,0.06167288,0,0,6.246771423,-0.478679803,3.325627928,-5.306165611,-8.127983047,4.846633001,2.61718182,0,0,33.93256151,-2.600196285,18.06486369,-28.82317582,-44.15133291,26.32698738,14.21657319,0,0,4.685344828,-3.189729489,3.25401308,0.005350773,-5.933115339,1.947681332,1.573127229,0,0,0.001299951,-4.63E-04,4.42E-04,-2.52E-04,-4.37E-04,2.30E-04,5.41E-04,0,0,25.91186875,-2.05649752,7.408341899,-8.865218059,-8.35676223,5.39830599,11.66034094,0,0,48.18422642,-3.824144954,13.77612811,-16.48525154,-15.53975621,10.0383805,21.68290189,0,0,0.005075957,-4.03E-04,0.001451243,-0.001736635,-0.001637032,0.001057491,0.002284181,0,0,0.215405911,-0.017095707,0.061585702,-0.073696745,-0.069469941,0.044876231,0.09693266,0,0,1.170088328,-0.092864153,0.334534513,-0.400321886,-0.37736182,0.243768402,0.526539748,0,0,0.161563615,-0.11391891,0.060259501,7.43E-05,-0.050710388,0.018034086,0.058263971,0,0,-0.356313756,0.340139177,-0.194104511,-0.335789306,0.177271327,0.415808885,0,0,-0.079365079,0.28590535,-0.34212963,-0.322507123,0.208333333,0.45,0,0,-0.079365079,0.28590535,-0.34212963,-0.322507123,0.208333333,0.45,0,0,-0.079365079,0.28590535,-0.34212963,-0.322507123,0.208333333,0.45,0,0,-0.079365079,0.28590535,-0.34212963,-0.322507123,0.208333333,0.45,0,0,-0.079365079,0.28590535,-0.34212963,-0.322507123,0.208333333,0.45,0,0,-0.70510251,0.372976933,4.60E-04,-0.313872573,0.111622202,0.360625575,0,0,1.893878987,0.623693962,1.493815405,1.391668431,0.452864479,9.76E-05,0,0,1.611111111,0.918930041,1.691666667,1.272364672,0.375925926,0,0,0,1.611111111,0.918930041,1.691666667,1.272364672,0.375925926,0,0,0,1.611111111,0.918930041,1.691666667,1.272364672,0.375925926,0,0,0,1.611111111,0.918930041,1.691666667,1.272364672,0.375925926,0,0,0,1.611111111,0.918930041,1.691666667,1.272364672,0.375925926,0,0,0,2.307727691,0.428839143,1.330611776,1.441346449,0.498006746,0,0,0,37.68803875,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,-3.55E-15,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,37.68803875,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,-3.55E-15,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,37.68803875,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,-3.55E-15,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,37.68803875,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,-3.55E-15,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,37.68803875,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,-3.55E-15,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,37.68803875,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,-3.55E-15,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,56.46679927,28.05191815,40.59955082,56.18449474,6.242721638,28.05191815,-0.362962963,0.038182916,0.004242546,-2.938830373,30.88796271,3.431995856,3.087329896,0,11.89,12.11013444,-0.15689918,0.064876315,5.912931606,10.15700569,8,28,28,28,8,0,0,0,0,0,21.86414,3.67617433,3.098235619,2.725134397,2.333552793,2.333552793,2.333552793,1.732151595,0.990922482,1.98804178,1.65646562,1.454934152,1.249629723,1.249629723,1.249629723,0.831423018,0.043938429,3.695355232,3.136415613,2.778679235,2.405454588,2.405454588,2.405454588,1.821190527,1.079788334,1.938789055,1.577123515,1.35760834,1.134540686,1.134540686,1.134540686,0.697939853,0.143687429,3.782850973,3.304488016,3.007835625,2.704236987,2.704236987,2.704236987,2.186956427,1.427400715,1.800942581,1.337894453,1.052102394,0.76031856,0.76031856,0.76031856,0.254655397,0.511736777,3.709653597,3.164585491,2.817838802,2.457539916,2.457539916,2.457539916,1.885494422,1.143025787,1.908039161,1.526027264,1.293945676,1.058262671,1.058262671,1.058262671,0.608759409,0.213282393,3.827351999,3.385806972,3.114870696,2.838982085,2.838982085,2.838982085,2.349056331,1.57115717,1.760189315,1.26197644,0.950894367,0.631337262,0.631337262,0.631337262,0.098472314,0.65386856,3.647342746,3.203603396,2.915394424,2.598486893,2.598486893,2.598486893,1.948682428,1.103089898,1.958108132,1.468406181,1.181820052,0.910986893,0.910986893,0.910986893,0.513917369,0.179138842,0,0,0,0,0,6,1,0,2,0,0,0,0,0,0,0,0,0,0,2.207106781,0.426776695,1.810660172,1.133883476,2.207106781,0.426776695,1.810660172,1.133883476,4.548097039,2.974873734,1.237436867,4.548097039,2.974873734,1.237436867,7.707106781,3.810660172,4.487436867,2.914213562,0.530330086,0,0,0,0.856345198,0.476332521,0.345187451,0.24285113,0.176776695,0,0,0,7.707106781,3.810660172,4.487436867,2.914213562,0.530330086,0,0,0,0.856345198,0.476332521,0.345187451,0.24285113,0.176776695,0,0,0,14.41827804,27.87836854,26.25490196,26.6,16.98554491,223.5398563,0.497182001,0.961323053,0.905341447,0.917241379,0.585708445,7.708270906,3.4687,43.527,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,48,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,6,0,1,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,13.81423611,0,1.260416667,0,0,0,0,0,0,0,0,0,0.925347222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.255208333,0,1.260416667,0,0,0,0,0,0,0,0,0,0.446180556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.326388889,0,1.260416667,0,0,0,0,0,0,0,0,0,0.479166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,1.777777778,0.2,2.326388889,0,0.446180556,6.801980903,0.803819444,0.326388889,3.628472222,0.803819444,0.326388889,3.628472222,4.5,0.5,0,0,0.42414,0.7,0.42414,0.42414,0.7,0,0,0,0,0.71429,0,0,0.66667,0,0.22222,4,0.44444,4,0.44444,0,0,-4,-0.44444,0,0,12.48498,1.38722,12.48498,0,0,3.81066,0.42341,3.81066,0,0,0.60334,0.06704,0.60334,0.06704,0,8,0,0,0,0,0,0,1,0.893571102,1.273555585,1.800453736,2.259420773,2.446557588,2.104919616,25.91356195,36.93311196,52.21315836,65.52320242,70.95017005,61.04266886,0.183938781,0.262157383,0.370617699,0.465094609,0.50361613,0.433291036,3.964409893,3.58442541,3.057527259,2.598560222,2.411423407,2.753061379,0.185875833,0.264918153,0.37452066,0.469992503,0.508919692,0.437854007,6.65913786,11.21895166,13.98636284,15.05904027,14.63629892,7.684582161,35.68332321,28.52181327,25.35729465,24.59606233,21.97546577,16.1841785,9,2.319526627,2,9,0,5,2.45,1.3767,5.259445099,2.749459274,0,7.742944452,0,0,1.414213562,0,0,1,0,0,0,0,0,0,0,0,0,0.003,0.187,0.158,-0.031,-0.002,3.441,13,12,3,0,0,0,0,0,0,45,2.197224577,2.63905733,2.564949357,1.386294361,0,0,0,0,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,8,1,1,2,4,1,4.5,2.444444444,0.375,0,0,0,0,0,0,0,0.5625,0.188034188,0.03125,0,0,0,0,0,0,0,0.781784188,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,0,164.2203203,4.169925001,3.761200116,4.532599493,5.407171771,6.232448017,7.090909822,7.930565854,8.783089672,9.627272812,10.47754146,80.84279902,2.833213344,0,4.234106505,0,5.831882477,0,7.493873887,0,9.177507215,9.384797754,128.1565006,4.419189677,16.04143443,1.782381603,0,0,0,82,12,5.413,42,1.230142857,2.119673424,2.974813867,3.496053697,3.963750337,5.232313993,0,0,0,0,72.40063676,97.65536869,104.5059646,42.27773487,13.06715991,5.316365885,0,0,0,0,275.5059647,374.2696449,488.46211,320.8431749,191.3894514,162.6399109,0,0,0,0,8.939719117,15.08347624,21.31165094,24.37852191,26.95565571,35.1531132,0,0,0,0,2.098837641,2.933136458,4.062960048,3.158832821,2.307546899,2.326354323,0,0,0,0,176.9060838,329.2591553,448.4671845,576.4121287,707.052815,967.5472182,0,0,0,0,2.580314732,3.620833792,5.853323898,5.615607177,4.778800046,5.232313993,0,0,0,0,0.435567857,0.613298833,0.856428792,0.685462084,0.518038875,0.535788953,0,0,0,0,364.2174027,173.0869931,8.593834934,125.1656328,-59.48244883,-7.377006992,239.0517699,232.5694419,15.97084193,0.7442379,0.353684089,0.017560549,0.2557621,-0.121545792,-0.015074096,178.2418181,84.70583808,4.205677027,61.25393733,-29.10970137,-3.610182075,0.056384543,0.136300975,0.739673556,6.841225034,489.3830355,0,1,0,496.6525532,22.28570289,7.919253116,690.3932748,26.27533586,8.838234442,995.3025394,31.5484158,9.984317216,1.356712851,1.205835205,414.4132449,405.4236334,228.6926925,1.022173378,1.812096576,1.77278788,4.067698366,3.220218461,6.42424645,0.994972244,5.578011069,7.588291149,3.495937284,48.58256654,6.35776224,10.12579373,17.33418789,22.53472892,10.37700484,6.855368487,1.605890969,1.126710556,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.468123816,7.587802791,0.182669456,14.83471138,4.007804128,0.217695909,1.217036599,1.149629222,1.10069373,0.085427852,0.01131149,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.511160743,7.587836211,0.662636053,20.03278071,4.197078985,1.119151535,3.688359065,4.119357261,1.882958762,0.598577772,0.117866056,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.265187433,7.58823781,3.223642105,45.91847321,6.11116499,9.122654988,16.05793803,20.73189269,9.416000122,6.133586388,1.430820678,1.00387882,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.227172895,7.587878828,1.05041608,24.10306274,4.413236515,2.070820184,5.627883473,6.57231354,2.749905728,1.208785785,0.256018195,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.73625619,7.588515255,4.582989586,59.1255729,7.387448173,14.29024278,22.38835099,29.77032904,14.38152597,9.8767542,2.34203757,1.643201455,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.441589251,5.683365261,1.323331363,29.69426566,5.520683379,3.801064187,8.787806673,10.34759622,4.579343768,2.321954615,0.508118336,0.356498262,2.54E-15,3.49E-51,9.25E-109,4.73E-188,4.66E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,2.997050984,1.488431682,1.432255458,0.506452114,0.25152037,0.491023323,0.538311223,0.553632324,5.917738125,10.88526267,23.19215724,0.259678171,1.582966869,2.306597404,0.927400473,0.857060831,0.563814301,0.226689603,0.290393173,0.208483662,0.198245693,4.091058708,4.910872431,10.83530384,0.345721451,0.697122529,2.590064306,1.157738829,1.093210743,0.535025177,0.23915214,0.36639792,0.325244506,0.322543466,4.841013878,7.095756667,15.21489198,0.302537765,1.014185892,2.980860043,1.475276202,1.418767556,0.507388741,0.251114955,0.485716127,0.528810661,0.543254039,5.874903802,10.71981342,22.83387791,0.261083111,1.557780827,2.712401223,1.257144162,1.195125647,0.525183735,0.243412243,0.401937464,0.38365644,0.385485102,5.164671032,8.153984858,17.39389017,0.287775603,1.171079007,3.047461322,1.52939099,1.474249839,0.503620869,0.252745856,0.507732642,0.568435041,0.586573778,6.051102152,11.40818368,24.33041035,0.255431303,1.662741461,2.987313591,1.478132416,1.422579255,0.507354072,0.251040434,0.487969133,0.531104188,0.546177002,5.888025262,10.76809591,22.93772622,0.261031108,1.565250322 +UMLMON0258,L,"2,2,3,3-tetramethylpentane",CCC(C)(C)C(C)(C)C,92723,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C9H20,PubChem,,95.5,0,0.3292,0.10837264,21.936,15.46793,0,0,15,5,10,0,5,0,0,0,0,0,0,0,0,0,731.481245,842.391485,777.88234,373.368409,90.93168,9.144576,0,0,0,2428.421953,3264.950672,3747.43968,2830.697185,1247.927098,279.7536999,0,0,0,104.88722,108.8789,191.073424,209.560996,163.638144,60.466176,0,0,0,18.39062905,25.0799431,32.08459929,27.72343953,14.68429815,4.001516144,0,0,0,2483.148301,2165.197258,4251.561752,4917.094387,4247.253023,1664.258868,0,0,0,23.80555556,28.77777778,41.33333333,44,30,9,0,0,0,48.76541633,56.15943233,28.81045704,12.44561363,3.78882,1.016064,0,0,0,161.8947969,217.6633782,138.7940622,94.35657284,51.99696242,31.08374443,0,0,0,6.992481333,7.258593333,7.076793481,6.985366533,6.818256,6.718464,0,0,0,1.226041937,1.671996207,1.188318492,0.924114651,0.611845756,0.444612905,0,0,0,165.54322,144.3464838,157.4652501,163.9031462,176.9688759,184.917652,0,0,0,1.587037037,1.918518519,1.530864198,1.466666667,1.25,1,0,0,0,0.019684929,-0.003067391,-0.00413249,-0.010474672,0.003000583,0.004831506,0,0,0,403.5533633,9.24E-14,-121.066009,-282.4873543,80.71067267,121.066009,0,0,0,750.4247115,2.42E-13,-225.1274134,-525.297298,150.0849423,225.1274134,0,0,0,0.079053333,1.13E-15,-0.023716,-0.055337333,0.015810667,0.023716,0,0,0,3.354747616,-1.33E-15,-1.006424285,-2.348323331,0.670949523,1.006424285,0,0,0,18.22304229,5.46E-14,-5.466912688,-12.75612961,3.644608459,5.466912688,0,0,0,1.803703704,-0.894444444,0.195925926,-0.407407407,-0.197037037,0.401111111,0,0,0,0.001312329,-2.04E-04,-1.53E-04,-3.49E-04,1.25E-04,5.37E-04,0,0,0,26.90355756,6.16E-15,-4.483926259,-9.416245144,3.362944694,13.45177878,0,0,0,50.0283141,1.61E-14,-8.33805235,-17.50990993,6.253539262,25.01415705,0,0,0,0.005270222,7.55E-17,-8.78E-04,-0.001844578,6.59E-04,0.002635111,0,0,0,0.223649841,-8.88E-17,-0.037274974,-0.078277444,0.02795623,0.111824921,0,0,0,1.214869486,3.64E-15,-0.202478248,-0.42520432,0.151858686,0.607434743,0,0,0,0.120246914,-0.05962963,0.007256516,-0.013580247,-0.008209877,0.044567901,0,0,0,-0.155824354,-0.116628707,-0.266058155,0.095269041,0.409069783,0,0,0,2.29E-16,-0.166666667,-0.35,0.125,0.5,0,0,0,3.22E-16,-0.166666667,-0.35,0.125,0.5,0,0,0,1.43E-14,-0.166666667,-0.35,0.125,0.5,0,0,0,-3.97E-16,-0.166666667,-0.35,0.125,0.5,0,0,0,3.00E-15,-0.166666667,-0.35,0.125,0.5,0,0,0,-0.495893224,0.060346794,-0.112936345,-0.068275154,0.37063655,0,0,0,1.553159505,1.089843159,1.220517292,0.65255514,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.983572895,0.750627424,1.056468172,0.970225873,0,0,0,0,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,16.09969296,7.963735371,12.18440096,15.99635963,3.199271926,7.964405848,-0.172222222,2.22E-16,4.44E-17,-18.02182669,2000007,400001.4,7.254330619,0,11.89,12.11005553,-0.161877421,0.059222037,5.239054887,6.635107239,5,15,15,15,5,0,0,0,0,0,10.93207,3.722321007,2.627204026,2.240212372,1.208534506,0.921221809,0.083923071,0.083923071,0.083923071,1.653785103,1.546192531,1.106628577,0.726794591,0.266477566,0.083923071,0.083923071,0.083923071,3.74308453,2.683901841,2.310574874,1.315494198,1.040395973,0.270913902,0.270913902,0.270913902,1.580851254,1.463800908,0.99385857,0.601618755,0.098752419,0.270913902,0.270913902,0.270913902,3.835216298,2.926268482,2.6051496,1.749788554,1.520567748,0.943918427,0.943918427,0.943918427,1.367526455,1.217206733,0.629137905,0.191472921,0.487945466,0.943918427,0.943918427,0.943918427,3.758420311,2.725363301,2.361691163,1.392521882,1.126052294,0.399277246,0.399277246,0.399277246,1.534429758,1.410875787,0.919258293,0.518431346,0.01533246,0.399277246,0.399277246,0.399277246,3.880688851,3.039124258,2.738836715,1.938747012,1.727081239,1.207644823,1.207644823,1.207644823,1.302051637,1.13971065,0.504312344,0.048864215,0.708684885,1.207644823,1.207644823,1.207644823,3.71925211,2.907852171,2.514953356,1.485553894,1.229734549,0.612244898,0.612244898,0.612244898,1.466343188,1.329987955,0.774656395,0.405937409,0.180803358,0.612244898,0.612244898,0.612244898,0,0,0,0,0,2,1,2,0,0.23570226,0.471404521,0.23570226,0,0,0.23570226,0.471404521,0.23570226,0,0,0.471404521,0,0,0,0.471404521,0,0,0,0.471404521,0,0,0.471404521,0,0,3.86180732,2.304530453,2.190270029,1.276142375,0.23570226,0,0,0,0.772361464,0.460906091,0.312895718,0.255228475,0.23570226,0,0,0,3.86180732,2.304530453,2.190270029,1.276142375,0.23570226,0,0,0,0.772361464,0.460906091,0.312895718,0.255228475,0.23570226,0,0,0,7.709139019,14.43918427,13.62745098,13.8,8.992772455,115.1412754,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.6623,22.945,9.772386304,15.00845428,19.54477261,3.908954521,9.772493789,4.44E-16,8.88E-17,-17.6752531,2000006.919,400001.3839,7.254330599,22,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,4.592592593,0,1.472222222,0,0,0,2.101851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.296296296,0,1.472222222,0,0,0,1.050925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.296296296,0,1.472222222,0,0,0,1.050925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.166666667,1.633333333,0.2,2.296296296,0.2,1.050925926,3.586898148,0.282407407,0.296296296,1.185185185,0.282407407,0.296296296,1.185185185,2.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.4,0.4,0,2.5,0.5,2.5,0.5,0,0,-2.5,-0.5,0,0,3.9223,0.78446,3.9223,0,0,2.30452,0.4609,2.30452,0,0,0.10948,0.0219,0.19548,0.0391,0.2,5,0,0,0,0,0,0,1,0.918295834,1.425605199,2.339572262,2.339572262,2.339572262,1.691527476,13.77443751,21.38407799,35.09358393,35.09358393,35.09358393,25.37291214,0.235045188,0.364895091,0.598832295,0.598832295,0.598832295,0.432960032,2.988594762,2.481285397,1.567318334,1.567318334,1.567318334,2.215363119,0.235045188,0.364895091,0.598832295,0.598832295,0.598832295,0.432960032,6.73287657,12.82058895,13.74170783,13.74170783,13.74170783,5.965170405,19.74937501,14.76455615,15.58777522,15.58777522,15.58777522,9.373994032,3.2,0.734693878,0.444444444,0,0,0,2.01,0.7045,0.333333333,1,2.828427125,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,2.169,7,5,1,0,0,0,0,0,0,23,1.791759469,2.079441542,1.791759469,0.693147181,0,0,0,0,0,0,3.17805383,1,0.333333333,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,0,2,3,0.5,1.5,1.222222222,0,0,0,0,0,0,0,0,0.3,0.305555556,0,0,0,0,0,0,0,0,0.605555556,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,0,82.67992313,3.321928095,3.218875825,4.007333185,4.844187086,5.666426688,6.502790046,7.333676396,8.168769824,9.001962273,9.836439218,68.58046054,2.397895273,1.945910149,3.663561646,3.931825633,5.153291594,5.733341277,6.741700695,7.458762692,8.373553741,8.9226583,70.07825032,4.671883355,9.115918943,1.823183789,0,0,0,16,1,2.723,24,1.222391529,2.127474007,2.932454931,3.515196824,3.412604685,0,0,0,0,0,79.23825166,69.97511254,37.10613168,12.35083052,3.467424767,0,0,0,0,0,290.8117196,320.1538369,282.9545954,175.4814047,106.0765319,0,0,0,0,0,8.906727723,15.11237731,20.51666634,23.9326871,22.92746172,0,0,0,0,0,2.178076375,2.68016243,2.761881167,2.092398477,1.517288082,0,0,0,0,0,174.3383021,330.9223839,478.040586,624.8543403,631.0508456,0,0,0,0,0,2.388383279,3.37593573,4.36200039,4.306752732,3.412604685,0,0,0,0,0,0.450622235,0.566314343,0.598101792,0.468874248,0.34945072,0,0,0,0,0,246.5281059,62.26386559,6.188949186,48.3994746,-12.22391406,-2.675930216,198.1286313,74.48777965,8.864879402,0.835893698,0.211115778,0.02098464,0.164106302,-0.041447172,-0.009073177,72.7079378,18.36333123,1.825291809,14.27433994,-3.605169399,-0.789205624,0.118309378,0.245800883,2.708849374,5.13279058,294.9275805,0,1,0,337.1021736,18.36034242,6.95964655,435.9231885,20.87877363,7.582341206,445.0033081,21.09510152,7.63462564,1.074453453,1.074453453,136.7743187,98.70954424,71.3154109,1.385624052,1.917878857,1.384126418,2.975679292,3.225180717,4.714305204,0.461718154,3.582622559,3.981520994,2.054812256,7.931382231,5.453193996,11.21673713,3.8941078,0.221437786,2.86E-04,1.55E-27,1.62E-72,3.28E-139,1.28E-227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300664723,3.98083143,0.139544131,3.805579262,0.283563257,0.427749808,0.0852876,0.001559604,2.01E-06,1.09E-29,1.14E-74,2.31E-141,9.01E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.970582286,3.980877763,0.472145546,4.317790966,0.800207517,1.719249728,0.434461786,0.016252281,2.10E-05,1.14E-28,1.19E-73,2.41E-140,9.39E-229,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.381703452,3.981445376,1.916920159,7.562077216,4.94617846,10.23404549,3.509420726,0.19729708,2.55E-04,1.38E-27,1.45E-72,2.93E-139,1.14E-227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.430459692,3.980937604,0.71779002,4.767378013,1.314785408,2.876248147,0.801326258,0.035302125,4.56E-05,2.47E-28,2.59E-73,5.23E-140,2.04E-228,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.326535577,3.981838901,2.588800653,9.431286442,7.546781873,15.22103311,5.490463461,0.322946199,4.17E-04,2.26E-27,2.37E-72,4.79E-139,1.87E-227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.268380059,3.443105669,0.996682701,5.794624229,2.594963561,5.622378773,1.741795533,0.083004584,1.07E-04,5.81E-28,6.09E-73,1.23E-139,4.80E-228,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.72536587,1.303280415,0.638991044,0.470429793,0.355346044,0.48209431,0.472458813,0.436145839,3.667637329,4.183913399,9.288408705,0.238663755,1.390698963,1.171227909,0.793962446,0.24055909,0.530988645,0.35995133,0.222139959,0.172420609,0.060936665,2.205749445,1.402655379,3.832103361,0.336409962,0.455497233,1.391309486,0.99604541,0.399008965,0.499327997,0.357471407,0.313473723,0.273285978,0.168820063,2.786363861,2.338383434,5.677696883,0.285199106,0.755579765,1.711646595,1.290652794,0.629145715,0.471340347,0.355410245,0.474457295,0.463173345,0.422707753,3.631445104,4.098025255,9.119342243,0.240125888,1.360338393,1.489410704,1.08621429,0.469542611,0.489106314,0.356700987,0.359242049,0.325976395,0.234366613,3.045167604,2.827184874,6.631987524,0.268710952,0.919585057,1.768317365,1.342819063,0.669809095,0.467691839,0.355154301,0.506398183,0.50214555,0.479577704,3.780945523,4.458397742,9.829825234,0.234269209,1.488121437,1.719886521,1.292671119,0.629704831,0.472202795,0.354908832,0.47903244,0.464606053,0.42344483,3.642262471,4.120269734,9.162521982,0.240667441,1.367083323 +UMLMON0259,L,"1,2-dimethylcyclopropane",CC1CC1C,102832,,UML,[1],C5H10,PubChem,,85.7,0,-0.2186,0.04778596,39.327,30.93586,0,0,30,10,20,0,10,0,0,0,0,0,0,0,0,0,1462.96249,1684.78297,2179.217388,2152.131251,1582.187215,996.066964,419.935993,85.93704,6.096384,4856.843906,6529.901345,9585.725944,10701.77686,9225.295465,6587.503725,3744.012795,1350.776693,186.5024666,209.77444,217.7578,427.342512,611.112332,627.979516,539.702608,371.602468,203.54976,40.310784,36.7812581,50.1598862,78.88975002,93.9014626,85.85815293,64.79382852,39.73201206,16.68304417,2.667677429,4966.296601,4330.394515,9252.955815,14049.49488,14836.74102,13205.43544,9291.527827,5388.554039,1109.505912,45.05555556,55.11111111,93.08333333,124.6666667,125.4166667,104.75,71,33.5,6,48.76541633,56.15943233,36.3202898,24.73714082,17.57985794,12.77008928,7.776592463,2.864568,1.016064,161.8947969,217.6633782,159.7620991,123.0089294,102.5032829,84.45517596,69.33357028,45.02588975,31.08374443,6.992481333,7.258593333,7.1223752,7.024279678,6.977550178,6.919264205,6.881527185,6.784992,6.718464,1.226041937,1.671996207,1.314829167,1.079327156,0.953979477,0.830690109,0.735778001,0.556101472,0.444612905,165.54322,144.3464838,154.2159303,161.4884469,164.852678,169.3004544,172.0653301,179.618468,184.917652,1.501851852,1.837037037,1.551388889,1.432950192,1.393518519,1.342948718,1.314814815,1.116666667,1,0.040661778,-0.003308783,-0.010924509,-0.004932649,-0.00942047,4.59E-04,-0.003616805,0.007782438,0.003630896,807.1067267,-5.90E-13,-161.4213453,-161.4213453,-282.4873543,-40.35533633,-40.35533633,201.7766817,80.71067267,1500.849423,5.26E-13,-300.1698846,-300.1698846,-525.297298,-75.04247115,-75.04247115,375.2123557,150.0849423,0.158106667,3.67E-15,-0.031621333,-0.031621333,-0.055337333,-0.007905333,-0.007905333,0.039526667,0.015810667,6.709495232,1.83E-14,-1.341899046,-1.341899046,-2.348323331,-0.335474762,-0.335474762,1.677373808,0.670949523,36.44608459,-3.02E-13,-7.289216918,-7.289216918,-12.75612961,-1.822304229,-1.822304229,9.111521147,3.644608459,2.651851852,-0.766666667,-0.442592593,-0.047777778,-0.407407407,0.405185185,-0.69,0.409259259,0.214074074,0.001355393,-1.10E-04,-1.82E-04,-5.67E-05,-1.05E-04,5.88E-06,-6.70E-05,2.59E-04,6.05E-04,26.90355756,-1.97E-14,-2.690355756,-1.855417762,-3.138748381,-0.517376107,-0.747321043,6.725889389,13.45177878,50.0283141,1.75E-14,-5.00283141,-3.450228558,-5.836636645,-0.962082963,-1.389675392,12.50707852,25.01415705,0.005270222,1.22E-16,-5.27E-04,-3.63E-04,-6.15E-04,-1.01E-04,-1.46E-04,0.001317556,0.002635111,0.223649841,6.09E-16,-0.022364984,-0.015424127,-0.026092481,-0.004300958,-0.006212496,0.05591246,0.111824921,1.214869486,-1.01E-14,-0.121486949,-0.083784103,-0.141734773,-0.023362875,-0.033746375,0.303717372,0.607434743,0.088395062,-0.025555556,-0.007376543,-5.49E-04,-0.004526749,0.005194682,-0.012777778,0.013641975,0.035679012,-0.081373287,-0.134333884,-0.041830767,-0.07722625,0.004341567,-0.049415852,0.191394438,0.446475267,-7.31E-16,-0.1,-0.068965517,-0.116666667,-0.019230769,-0.027777778,0.25,0.5,3.50E-16,-0.1,-0.068965517,-0.116666667,-0.019230769,-0.027777778,0.25,0.5,2.32E-14,-0.1,-0.068965517,-0.116666667,-0.019230769,-0.027777778,0.25,0.5,2.72E-15,-0.1,-0.068965517,-0.116666667,-0.019230769,-0.027777778,0.25,0.5,-8.29E-15,-0.1,-0.068965517,-0.116666667,-0.019230769,-0.027777778,0.25,0.5,-0.289106145,-0.083449721,-0.006212676,-0.051210428,0.058766652,-0.144553073,0.154329609,0.403631285,1.533989612,1.251703958,1.0254692,1.035108316,0.899171082,0.911332973,0.404304895,0.00433893,1.45,1.305,1.1,1.063333333,0.864423077,0.805555556,0.3625,0,1.45,1.305,1.1,1.063333333,0.864423077,0.805555556,0.3625,0,1.45,1.305,1.1,1.063333333,0.864423077,0.805555556,0.3625,0,1.45,1.305,1.1,1.063333333,0.864423077,0.805555556,0.3625,0,1.45,1.305,1.1,1.063333333,0.864423077,0.805555556,0.3625,0,1.822625698,0.987255587,0.876396648,0.983880354,0.917154598,1.291026536,0.501222067,0,50.10809014,25.05404507,36.52774608,50.10809014,5.010809014,25.05404507,0,0.163926116,0.016392612,-1.808339466,78.23766948,7.823766948,4.359751238,50.10809014,25.05404507,36.52774608,50.10809014,5.010809014,25.05404507,0,0.163926116,0.016392612,-1.808339466,78.23766948,7.823766948,4.359751238,50.10809014,25.05404507,36.52774608,50.10809014,5.010809014,25.05404507,0,0.163926116,0.016392612,-1.808339466,78.23766948,7.823766948,4.359751238,50.10809014,25.05404507,36.52774608,50.10809014,5.010809014,25.05404507,0,0.163926116,0.016392612,-1.808339466,78.23766948,7.823766948,4.359751238,50.10809014,25.05404507,36.52774608,50.10809014,5.010809014,25.05404507,0,0.163926116,0.016392612,-1.808339466,78.23766948,7.823766948,4.359751238,50.10809014,25.05404507,36.52774608,50.10809014,5.010809014,25.05404507,0,0.163926116,0.016392612,-1.808339466,78.23766948,7.823766948,4.359751238,57.7380109,28.6039538,42.05718531,57.6280109,5.76280109,28.6039538,-0.183333333,0.126198519,0.012619852,-2.069899062,63.81581672,6.381581672,4.156001071,0,11.89,12.11015511,-0.161881022,0.059315855,5.383933097,9.383131292,10,30,30,30,10,0,0,0,0,0,21.86414,3.685437898,3.223192927,2.944515618,2.750129472,2.32456798,1.994665296,1.456797487,1.282656603,2.023491151,1.735501005,1.525793984,1.372874417,1.165688755,0.944524299,0.666206401,0.572264666,3.707852661,3.258393153,2.983802596,2.792995694,2.387922707,2.06805503,1.556142907,1.390336856,1.973063869,1.662421526,1.442527838,1.285229005,1.05672161,0.824398152,0.522081792,0.421107261,3.806900305,3.412567826,3.157734138,2.981537655,2.6567298,2.376223035,1.9628467,1.828132272,1.826791431,1.443139867,1.192478015,1.018928274,0.708087305,0.434454897,0.037619229,0.091965528,3.724387806,3.28430823,3.012844899,2.824624264,2.43415587,2.121444425,1.62787375,1.467919592,1.941146732,1.615476471,1.388972235,1.228596505,0.98491061,0.744803743,0.425347018,0.31928761,3.855506699,3.486985595,3.242395078,3.072480534,2.780551014,2.516261361,2.141548494,2.018774908,1.781716037,1.373646706,1.113598133,0.933903671,0.590372403,0.300670846,0.135164289,0.276888783,3.711788702,3.370152582,3.109892846,2.886391481,2.574065181,2.243396069,1.760019872,1.602030854,1.936290459,1.521394978,1.276301586,1.133685655,0.81241083,0.588098984,0.255963194,0.146648327,0,0,0,0,0,2,6,2,0,0,0,0,0.083333333,0.142258898,0,0,0,0.083333333,0.142258898,0.402368927,0,0.11785113,0,0.402368927,0,0.11785113,0,1.020220057,1.359475708,1.589255651,1.020220057,1.359475708,1.589255651,7.397341225,4.842535255,3.810495725,2.948584704,2.192705341,1.561834874,0.601007552,0.273353247,0.739734123,0.484253526,0.31754131,0.210613193,0.146180356,0.104122325,0.075125944,0.054670649,7.397341225,4.842535255,3.810495725,2.948584704,2.192705341,1.561834874,0.601007552,0.273353247,0.739734123,0.484253526,0.31754131,0.210613193,0.146180356,0.104122325,0.075125944,0.054670649,15.41827804,28.87836854,27.25490196,27.6,17.98554491,230.2825509,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.6128,46.03,43.99698258,63.66189698,87.99396516,8.799396516,43.99698258,0.07820127,0.007820127,-2.548469389,51.36653868,5.136653868,3.938986962,90,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,2,0,6,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,4.736917045,0,8.839518141,0,0,0,2.090231481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.306870748,0,1.383935185,0,0,0,1.021944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.430046296,0,1.508935185,0,0,0,1.068287037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.66666667,1.566666667,0.2,2.430046296,0.2,1.021944444,7.195344287,0.311388889,0.430046296,1.49170446,0.311388889,0.430046296,1.49170446,5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.2,0.2,0,5,0.5,5,0.5,0,0,-5,-0.5,0,0,11.53787,1.15379,11.53787,0,0,4.84252,0.48425,4.84252,0,0,0.07148,0.00715,0.15748,0.01575,0.2,10,0,0,0,0,0,0,1,0.918295834,1.375279366,2.664083512,3.422579762,3.347860598,3.606238929,27.54887502,41.25838097,79.92250535,102.6773929,100.4358179,108.1871679,0.187144143,0.280275123,0.542927025,0.697504804,0.682277408,0.734933632,3.988594762,3.53161123,2.242807084,1.484310834,1.559029998,1.300651667,0.187144143,0.280275123,0.542927025,0.697504804,0.682277408,0.734933632,6.73287657,12.21667895,18.1890332,17.94405786,18.87816086,19.4151562,39.49875002,30.76840725,23.66436096,23.06231063,21.7972296,20.16519546,8.1,4,2.285714286,3,0,3,2.56,1.409,0.2,3.783322213,1.807204007,0,6.631975708,6.447419591,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,4.664,12,14,15,15,8,5,3,1,0,93,2.397895273,2.564949357,2.708050201,2.772588722,2.772588722,2.197224577,1.791759469,1.386294361,0.693147181,0,4.543294782,1,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,1,3,6,1,1.5,1.111111111,0.5,0.342222222,0.090277778,0.04,0,0,0,0,0.15,0.092592593,0.045454545,0.048888889,0.022569444,0.04,0,0,0,0,0.399505471,25.05404507,36.52774608,50.10809014,5.010809014,25.05404507,0.163926116,0.016392612,-1.808339466,78.23766948,7.823766948,4.359751238,0,169.1598463,4.321928095,3.80666249,4.574710979,5.370638028,6.163314804,6.965080346,7.764296006,8.566935283,9.368113056,10.17080109,82.75055208,3.044522438,0,4.234106505,0,5.65248918,0,7.177018766,0,8.74687532,8.984818996,140.1565006,4.671883355,19.5566863,1.95566863,0,0,0,121,11,5.568,44,1.229266235,2.107975205,2.825764749,3.498834918,4.051056849,4.296694211,5.153898675,7.033430929,0,0,79.27849437,84.64431595,75.33621465,63.51246015,54.02400333,39.45650141,17.16135891,7.146415963,0,0,291.5000555,358.9466827,365.3581139,367.4078125,344.0547179,322.9171779,250.1430126,218.6253695,0,0,8.955521785,15.06036625,19.89825807,24.44543554,28.01604642,29.65576611,35.05545371,47.25385249,0,0,2.185186681,2.904176259,3.165172762,3.400591326,3.362816995,3.337693641,3.010700722,3.127154156,0,0,175.3995389,321.7881157,452.6501024,574.3001372,687.1479659,732.5266236,918.8618952,1300.605533,0,0,2.31020345,3.344829164,4.122520583,4.928412097,5.400430163,5.78051906,5.911925524,7.033430929,0,0,0.452167257,0.609885296,0.673350135,0.731567752,0.730974676,0.731163018,0.675701769,0.720223327,0,0,362.8458357,187.2612307,9.314551391,74.94213643,-38.67691266,-4.018416185,287.9036993,225.9381433,13.33296758,0.828816365,0.42774412,0.021276399,0.171183635,-0.08834622,-0.00917891,158.8495426,81.98071444,4.077798565,32.80876593,-16.93228716,-1.759214273,0.058361628,0.12625467,1.034154087,1.191161738,437.7879721,0,1,0,682.8851744,26.13207176,8.806078679,876.625896,29.60786882,9.57057649,1300.137475,36.05741914,10.91431353,1.49619855,1.435553478,589.8302798,503.0862721,199.15826,1.172423722,2.961615952,2.526062801,4.179021299,4.466158665,7.285318514,0.63122698,5.738588085,8.417320075,11.90997736,17.96230376,20.45107655,16.26120494,17.27499794,19.26000695,7.602811239,3.921797927,3.062109048,2.372835368,2.305700509,0.009974898,6.57E-23,8.36E-65,2.05E-128,9.70E-214,8.85E-321,0,0,0,0,0,0,0,0,0,0,0,0.471020617,7.493055205,0.832161173,6.892833969,1.099569396,2.884132555,1.991436244,2.187192147,0.456051856,0.227983532,0.59252103,0.142877237,0.016240519,7.03E-05,4.63E-25,5.88E-67,1.44E-130,6.83E-216,6.4E-323,0,0,0,0,0,0,0,0,0,0,0,1.526475872,7.584455346,2.728933239,7.80239549,3.821235639,5.143029446,3.655835892,4.691404378,1.291797198,0.802268341,0.957803422,0.498295397,0.169228667,7.32E-04,4.82E-24,6.13E-66,1.50E-129,7.12E-215,6.47E-322,0,0,0,0,0,0,0,0,0,0,0,5.409118269,8.32632916,11.10287233,16.80707001,18.83182784,15.27541645,15.82451192,17.8678776,6.944873546,3.632092833,2.861815137,2.201025789,2.054338526,0.008887455,5.85E-23,7.44E-65,1.83E-128,8.64E-214,7.885E-321,0,0,0,0,0,0,0,0,0,0,0,2.256882215,7.676077786,4.139219476,8.827610025,6.054308292,6.833733629,5.230503102,6.701661633,2.050509768,1.249853941,1.249774837,0.771900769,0.367584122,0.001590221,1.05E-23,1.33E-65,3.27E-129,1.55E-214,1.413E-321,0,0,0,0,0,0,0,0,0,0,0,6.966406668,8.79328627,15.04471326,22.78185782,26.93983971,20.1005859,23.23005396,24.80836402,10.28912669,5.066627203,3.859465127,3.049041618,3.362643317,0.014547452,9.58E-23,1.22E-64,2.99E-128,1.41E-213,1.2905E-320,0,0,0,0,0,0,0,0,0,0,0,3.780664034,7.500861711,6.803969586,11.21000024,10.48935035,10.66954597,9.336398273,11.18310415,4.03033044,2.129902498,2.084077878,1.457914937,0.93940492,0.004064015,2.68E-23,3.40E-65,8.35E-129,3.95E-214,3.607E-321,0,0,0,0,0,0,0,0,0,0,0,3.952667287,1.577425447,0.852607104,0.619278266,0.247140785,0.457609004,0.521311338,0.402622084,6.382699837,10.95003431,22.64877181,0.428917399,1.381542427,3.206144676,1.020958152,0.403231375,0.692421872,0.220493404,0.301280259,0.2182077,0.09003056,4.630334202,4.977840026,10.92808743,0.538632808,0.609518519,3.502600507,1.241920164,0.581796281,0.657602718,0.233166778,0.359463005,0.322973878,0.187486339,5.326316953,7.11029468,14.96739648,0.486404078,0.869923222,3.934181803,1.563644389,0.841490009,0.620600342,0.24665821,0.453344755,0.512231249,0.392196203,6.339316201,10.77802712,22.29390484,0.430900513,1.357772206,3.634760213,1.3404341,0.661350797,0.64485605,0.237811296,0.387055477,0.376298819,0.242275837,5.636545111,8.162505262,17.02125498,0.467284074,1.005630133,4.010541486,1.620571502,0.88740943,0.615253155,0.248610252,0.471088638,0.550256821,0.436141707,6.518522418,11.49647201,23.78259598,0.422879733,1.457487166,3.94661735,1.567135403,0.842884185,0.620865623,0.246535301,0.456203361,0.514560189,0.393487681,6.356636938,10.83233877,22.40211642,0.431298434,1.364251232 +UMLMON0260,L,1-methyl-2-n-propylcyclohexane,CCCC1CCCCC1C,107252,"(cis) version reported, [9] has RON of 29.9",UML,[1],C10H20,UML,,38.8,0,0.4726,0.22335076,28.2782,20.321516,0,0,19,7,12,0,7,0,0,0,0,0,0,0,0,0,1022.041615,1299.398024,1041.185213,815.305348,739.614628,201.84192,16.257024,0,0,3337.623245,4764.97461,5256.155257,4381.00159,3599.330659,2084.455817,497.3399109,0,0,133.40518,145.735712,256.353332,292.64872,229.787536,167.629824,107.495424,0,0,24.85765486,35.67373172,45.11971658,40.09165568,32.0765511,21.3736122,7.113806478,0,0,3106.572317,2851.825421,5539.746281,6961.736324,5488.248081,3929.30198,2958.682432,0,0,26.80555556,34.16666667,52.77777778,54.66666667,42.66666667,32,16,0,0,53.79166395,64.9699012,28.92181147,19.4120321,22.41256448,8.41008,1.016064,0,0,175.6643813,238.2487305,146.0043127,104.3095617,109.070626,86.85232572,31.08374443,0,0,7.021325263,7.2867856,7.120925889,6.967826667,6.963258667,6.984576,6.718464,0,0,1.308297624,1.783686586,1.253325461,0.95456323,0.9720167,0.890567175,0.444612905,0,0,163.5038062,142.5912711,153.8818411,165.7556268,166.3105479,163.7209158,184.917652,0,0,1.410818713,1.708333333,1.466049383,1.301587302,1.292929293,1.333333333,1,0,0,0.024286239,0.001232373,-0.017748231,1.43E-04,0.007694519,-0.014829692,0.011365355,0,0,535.2391977,48.29225844,-408.8073822,14.75596786,134.4805252,-319.2654863,262.9245182,0,0,995.3001436,89.80151672,-760.1947839,27.43935233,250.0722792,-593.687805,488.9193688,0,0,0.104849684,0.009460122,-0.08008256,0.002890593,0.026343812,-0.062541917,0.051505108,0,0,4.449454733,0.401454562,-3.398424386,0.122666672,1.117939441,-2.654060718,2.185697062,0,0,24.16950873,2.180707554,-18.4602952,0.666327308,6.072664787,-14.41689994,11.87274113,0,0,0.944444444,-0.055555556,-0.5,-0.166666667,0.472222222,-0.666666667,0.444444444,0,0,0.001278223,6.16E-05,-4.93E-04,3.39E-06,2.33E-04,-6.18E-04,7.10E-04,0,0,28.17048409,2.414612922,-11.35576062,0.351332568,4.075167431,-13.3027286,16.43278239,0,0,52.38421809,4.490075836,-21.11652177,0.653317913,7.577947854,-24.73699187,30.55746055,0,0,0.005518404,4.73E-04,-0.002224516,6.88E-05,7.98E-04,-0.002605913,0.003219069,0,0,0.234181828,0.020072728,-0.094400677,0.002920635,0.033876953,-0.110585863,0.136606066,0,0,1.272079407,0.109035378,-0.512785978,0.015864936,0.184020145,-0.600704164,0.742046321,0,0,0.049707602,-0.002777778,-0.013888889,-0.003968254,0.014309764,-0.027777778,0.027777778,0,0,0.04820651,-0.385696685,0.0026554,0.182415143,-0.483408438,0.555720402,0,0,0.085714286,-0.403108466,0.012471655,0.144660895,-0.472222222,0.583333333,0,0,0.085714286,-0.403108466,0.012471655,0.144660895,-0.472222222,0.583333333,0,0,0.085714286,-0.403108466,0.012471655,0.144660895,-0.472222222,0.583333333,0,0,0.085714286,-0.403108466,0.012471655,0.144660895,-0.472222222,0.583333333,0,0,0.085714286,-0.403108466,0.012471655,0.144660895,-0.472222222,0.583333333,0,0,-0.055882353,-0.279411765,-0.079831933,0.287878788,-0.558823529,0.558823529,0,0,1.25874925,1.420077687,0.889798982,0.688381733,1.44225266,0,0,0,1.221428571,1.470238095,0.87244898,0.74025974,1.357142857,0,0,0,1.221428571,1.470238095,0.87244898,0.74025974,1.357142857,0,0,0,1.221428571,1.470238095,0.87244898,0.74025974,1.357142857,0,0,0,1.221428571,1.470238095,0.87244898,0.74025974,1.357142857,0,0,0,1.221428571,1.470238095,0.87244898,0.74025974,1.357142857,0,0,0,1.376470588,1.279411765,0.983193277,0.545454545,1.588235294,0,0,0,26.91106085,13.45553043,21.73044764,26.91106085,3.844437265,13.45553465,0,1.67E-16,2.38E-17,-25.43193482,2000015.378,285716.4826,10.1560658,26.91106085,13.45553043,21.73044764,26.91106085,3.844437265,13.45553465,0,1.67E-16,2.38E-17,-25.43193482,2000015.378,285716.4826,10.1560658,26.91106085,13.45553043,21.73044764,26.91106085,3.844437265,13.45553465,0,1.67E-16,2.38E-17,-25.43193482,2000015.378,285716.4826,10.1560658,26.91106085,13.45553043,21.73044764,26.91106085,3.844437265,13.45553465,0,1.67E-16,2.38E-17,-25.43193482,2000015.378,285716.4826,10.1560658,26.91106085,13.45553043,21.73044764,26.91106085,3.844437265,13.45553465,0,1.67E-16,2.38E-17,-25.43193482,2000015.378,285716.4826,10.1560658,26.91106085,13.45553043,21.73044764,26.91106085,3.844437265,13.45553465,0,1.67E-16,2.38E-17,-25.43193482,2000015.378,285716.4826,10.1560658,28.25151114,14.11583494,22.92952581,28.23733881,4.033905544,14.11583709,-0.01984127,5.00E-16,7.14E-17,-24.66290622,2000015.377,285716.4824,10.1560658,0,11.9,12.10010405,-0.14971926,0.05038983,5.849125,7.255024214,8,20,20,20,8,0,0,0,0,0,13.118484,3.779409198,3.494788484,2.333953166,1.456797487,1.456797487,1.170806539,0.894974521,0.083923071,1.669448105,1.372874417,1.372874417,1.141382914,0.779045592,0.356365969,0.308073976,0.083923071,3.800193139,3.5197718,2.388129683,1.556142907,1.556142907,1.269574154,1.022574191,0.270913902,1.610024989,1.285229005,1.285229005,1.052726359,0.646194696,0.19479179,0.141935624,0.270913902,3.891608187,3.630250716,2.625760501,1.9628467,1.9628467,1.685196715,1.524945462,0.943918427,1.439081626,1.018928274,1.018928274,0.793430324,0.210690605,0.365819748,0.439213362,0.943918427,3.815499378,3.538210096,2.428113331,1.62787375,1.62787375,1.341732761,1.113449496,0.399277246,1.572501263,1.228596505,1.228596505,0.996197615,0.557789948,0.085190751,0.028939256,0.399277246,3.936281699,3.684429719,2.739188636,2.141548494,2.141548494,1.871079853,1.736938149,1.207644823,1.38714554,0.933903671,0.933903671,0.714710248,0.060342152,0.574490322,0.658013677,1.207644823,3.846440713,3.58482559,2.543969196,1.812378158,1.812378158,1.49507074,1.315097227,0.68852459,1.514143081,1.091066682,1.091066682,0.902395372,0.35810256,0.150367895,0.215918832,0.68852459,0,0,0,0,0,0,5,2,0,0.577350269,0.40824829,0,0.333333333,0.353553391,0.577350269,0.40824829,0,0.333333333,0.353553391,0.40824829,0,0,0,0.40824829,0,0,0,0.23570226,0.333333333,0.294627825,0.23570226,0.333333333,0.294627825,4.690234444,3.449489743,3.122453606,1.483163248,0.942809042,0.666666667,0.23570226,0,0.670033492,0.431186218,0.283859419,0.185395406,0.11785113,0.083333333,0.058925565,0,4.690234444,3.449489743,3.122453606,1.483163248,0.942809042,0.666666667,0.23570226,0,0.670033492,0.431186218,0.283859419,0.185395406,0.11785113,0.083333333,0.058925565,0,10.25096682,18.32702112,17.35294118,17.56,11.79132695,144.9122251,0.53952457,0.964580059,0.913312693,0.924210526,0.620596155,7.626959218,2.1965,30.065,20.17296746,31.07194694,40.34593491,5.763704988,20.17296746,5.55E-17,7.93E-18,-26.20096343,2000016.718,285716.674,10.15606627,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,0,0,7.791666667,0,0,0,2.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.552083333,0,0,0,1.1875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.583333333,0,0,0,1.1875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.16666667,1.452380952,0.2,1.583333333,0.2,1.1875,4.764958333,0.145833333,0.083333333,0.583333333,0.145833333,0.083333333,0.583333333,3.5,0.5,0,0,0.44737,0.7,0.44737,0.44737,0.7,0,0,0,0,0.71429,0,0,0,0.28571,0,4,0.57143,4,0.57143,0,0,-4,-0.57143,0,0,5.66047,0.80864,5.66047,0,0,3.44948,0.49278,3.44948,0,0,-0.03548,-0.00507,0.13652,0.0195,0.368421053,22,0,0,0,0,0,0,1,0.949452015,1.267443804,1.867965358,1.957939355,1.867965358,2.024352381,18.03958829,24.08143227,35.49134181,37.20084775,35.49134181,38.46269524,0.223509467,0.298367569,0.439735695,0.460916376,0.439735695,0.476550594,3.298475498,2.98048371,2.379962155,2.289988158,2.379962155,2.223575132,0.219682511,0.293258883,0.432206487,0.45302451,0.432206487,0.468391037,6.790838447,10.60673991,13.30026581,10.20334328,13.30026581,11.00029959,27.3155423,24.33248079,22.35950098,25.81783099,22.35950098,21.03168856,3.9375,1.239669421,0.96,0,0,0,2.23,0.8777,0,0,0,0,4.352752816,6.44394015,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.093,0.104,0.349,0.426,3.523,11,8,8,8,4,0,0,0,0,54,2.197224577,2.48490665,2.197224577,2.197224577,2.197224577,1.609437912,0,0,0,0,4.007333185,1,0.5,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,2,0.25,0,2,4,1,1.5,0.555555556,0.055555556,0,0,0,0,0,0,0,0.1875,0.111111111,0.013888889,0,0,0,0,0,0,0,0.3125,13.45553043,21.73044764,26.91106085,3.844437265,13.45553465,1.67E-16,2.38E-17,-25.43193482,2000015.378,285716.4826,10.1560658,0,104.9154337,3.807354922,3.663561646,4.48863637,5.342334252,6.184148891,7.03966035,7.886457271,8.740816628,9.589666822,10.44292979,78.37821202,2.833213344,2.564949357,4.110873864,4.394449155,5.59471138,6.107022888,7.158513997,7.793586803,8.763584409,9.305286849,96.09390038,5.057573704,13.42423461,1.917747802,0,0,0,46,4,3.521,38,1.239320977,2.165987439,2.969216188,3.90991716,4.930158805,5.575974542,0,0,0,0,92.31920472,72.06596048,68.34016248,103.0764765,43.29748627,5.665546997,0,0,0,0,322.8384398,341.3342557,342.8418415,472.8235703,442.0319505,173.3221676,0,0,0,0,9.068426656,15.47336707,20.77437372,27.3399326,34.50109129,37.46198422,0,0,0,0,2.360157045,2.862284362,3.044271632,4.090362298,4.50127891,2.479150238,0,0,0,0,174.3654411,329.8523345,485.871527,641.9163766,801.9112018,1031.09612,0,0,0,0,2.169565552,3.246151488,3.96968735,5.20942246,6.656245116,5.575974542,0,0,0,0,0.4861063,0.60434345,0.650915039,0.871437542,0.979867214,0.570979793,0,0,0,0,271.8136071,88.82143982,7.352747084,101.233209,-33.08031368,-4.84290759,170.580398,121.9017535,12.19565467,0.728631355,0.2380973,0.019709985,0.271368645,-0.088676038,-0.012982037,101.3992007,33.13455533,2.742918889,37.76472632,-12.3405057,-1.806631257,0.091458982,0.152152132,1.804747925,1.287159447,373.0468161,0,1,0,541.32473,23.26638627,8.149906431,662.4457981,25.73802242,8.71732926,714.2786458,26.72599195,8.939005864,1.506013963,1.506013963,404.08966,387.8226499,64.63109763,1.041944456,6.252248141,6.000558,3.761525938,3.699082161,6.775587481,0.831694238,5.330849391,5.115689657,3.856185026,9.215137252,7.574328334,9.466638975,5.411115209,3.492586556,1.09688033,3.618686956,2.515940481,0.671497397,0.006499059,1.62E-23,7.78E-66,7.22E-130,1.29E-215,4.4E-323,0,0,0,0,0,0,0,0,0,0,0,0,0.447381516,5.112407362,0.174284027,3.12095928,1.095425258,0.947659504,1.166762778,0.167389005,0.239049972,0.102198592,0.114268604,0.004729412,4.58E-05,1.14E-25,5.48E-68,5.08E-132,9.09E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,1.444201421,5.112762839,0.661013466,3.664342566,1.776498199,2.150053607,1.619341018,0.62258426,0.340707617,0.458597577,0.432707898,0.049284112,4.77E-04,1.19E-24,5.71E-67,5.30E-131,9.47E-217,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,5.031886987,5.115377454,3.537095355,8.594218164,6.950785166,8.755313257,5.004895718,3.209936306,1.01838258,3.275561802,2.308137128,0.598292092,0.005790545,1.44E-23,6.94E-66,6.43E-130,1.15E-215,4.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,2.128487036,5.113100247,1.073770007,4.245371405,2.43448112,3.134760752,2.052882997,1.001437696,0.432299394,0.810558853,0.702315429,0.107051675,0.001036095,2.58E-24,1.24E-66,1.15E-130,2.06E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,6.437772608,5.116971935,5.144004246,11.79552246,10.14066657,12.31586147,7.081370361,4.628907195,1.417022765,5.034287051,3.354347895,0.979315842,0.009478267,2.36E-23,1.14E-65,1.05E-129,1.88E-215,6.4E-323,0,0,0,0,0,0,0,0,0,0,0,0,3.715337954,5.025345154,2.21568177,6.218487394,4.589712452,5.87115005,3.362883473,2.08808947,0.725404655,1.945809063,1.490396677,0.318334163,0.003080984,7.68E-24,3.69E-66,3.42E-130,6.12E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,4.516072044,0.864737276,0.729781005,0.739056589,0.141514523,0.629935291,0.405567745,0.408094309,6.110590324,7.832028269,16.79257093,0.608584884,1.443597345,3.784119032,0.42166729,0.25567642,0.848179006,0.094513238,0.442061501,0.111900449,0.054468638,4.461462742,2.670959605,7.540389669,0.772268509,0.608430588,4.060964783,0.586879296,0.437542237,0.798555809,0.115405057,0.509196425,0.203600945,0.154435796,5.085386316,4.416924249,10.5451033,0.697833713,0.867233167,4.496486397,0.85258752,0.717407671,0.741201689,0.140540692,0.6244733,0.395239917,0.394979303,6.066481588,7.671114848,16.48788505,0.611802533,1.41469252,4.190051747,0.664801913,0.521378873,0.779365796,0.123655721,0.542131262,0.253874099,0.215709373,5.376232532,5.316772545,12.1453343,0.669048694,1.011714734,4.577913367,0.903221844,0.768721363,0.732482948,0.144518811,0.647338558,0.43942222,0.4509182,6.249856574,8.348337081,17.7767576,0.598724422,1.537678977,4.505745941,0.856740696,0.721341668,0.740610306,0.140822629,0.62704693,0.398775675,0.399151434,6.083828306,7.728440971,16.59683272,0.610915459,1.424974039 +UMLMON0261,L,dicyclopropylmethane,C1CC1CC2CC2,111091,,UML,[1],C7H12,PubChem,,72.1,0,0.6091,0.37100281,31.6778,20.321516,0,0,19,7,12,0,7,0,0,0,0,0,0,0,0,0,1022.041615,1155.133903,1415.474264,883.88362,508.573634,138.343968,12.192768,0,0,3337.623245,4341.457709,6015.190369,4945.086311,3232.728704,1675.789819,373.0049332,0,0,133.40518,138.195196,256.823648,308.480656,230.139272,185.390208,80.621568,0,0,24.85765486,32.88483172,48.80792084,44.99446992,30.73263394,18.69386248,5.335354858,0,0,3106.572317,2725.031065,5524.351915,7140.801002,5445.519152,4674.825562,2219.011824,0,0,31.77777778,38.83333333,63.16666667,67.66666667,48.5,34,12,0,0,53.79166395,60.79652121,39.31872956,20.08826409,15.41132224,5.123850667,1.016064,0,0,175.6643813,228.4977741,167.0886214,112.3883252,97.96147587,62.06628959,31.08374443,0,0,7.021325263,7.273431368,7.133990222,7.010924,6.973917333,6.866304,6.718464,0,0,1.308297624,1.730780617,1.355775579,1.022601589,0.931291938,0.692365277,0.444612905,0,0,163.5038062,143.4226876,153.4542199,162.2909319,165.0157319,173.1416875,184.917652,0,0,1.67251462,2.043859649,1.75462963,1.537878788,1.46969697,1.259259259,1,0,0,0.033939398,0.001343166,-0.008603002,-0.018841966,-0.001665108,0.00271418,0.008083031,0,0,535.2391977,5.19E-13,-90.21262166,-219.9980662,-152.2547592,-2.347540341,197.1933886,0,0,995.3001436,-5.68E-14,-167.7542222,-409.0957984,-283.1242263,-4.365351507,366.6895266,0,0,0.104849684,1.51E-15,-0.017672033,-0.043096111,-0.029825662,-4.60E-04,0.038628831,0,0,4.449454733,4.05E-15,-0.749939426,-1.828848562,-1.265697023,-0.019515152,1.639272796,0,0,24.16950873,7.99E-14,-4.073682862,-9.934334414,-6.875286317,-0.106006617,8.904555847,0,0,2.298245614,-0.195906433,-0.348722684,-0.667282241,-0.570637119,-0.090489381,0.723915051,0,0,0.001786284,7.07E-05,-2.39E-04,-4.28E-04,-5.05E-05,1.01E-04,6.74E-04,0,0,28.17048409,2.73E-14,-2.505906157,-4.99995605,-4.613780583,-0.086945939,16.43278239,0,0,52.38421809,-2.99E-15,-4.659839506,-9.297631781,-8.57952201,-0.161679685,30.55746055,0,0,0.005518404,7.95E-17,-4.91E-04,-9.79E-04,-9.04E-04,-1.70E-05,0.003219069,0,0,0.234181828,2.13E-16,-0.020831651,-0.04156474,-0.038354455,-7.23E-04,0.136606066,0,0,1.272079407,4.21E-15,-0.113157857,-0.225780328,-0.20834201,-0.003926171,0.742046321,0,0,0.120960295,-0.010310865,-0.009686741,-0.015165505,-0.017292034,-0.003351459,0.060326254,0,0,0.039575419,-0.133781781,-0.239730346,-0.028247366,0.056276151,0.377087783,0,0,9.69E-16,-0.088955026,-0.177489177,-0.163780664,-0.00308642,0.583333333,0,0,-5.71E-17,-0.088955026,-0.177489177,-0.163780664,-0.00308642,0.583333333,0,0,1.44E-14,-0.088955026,-0.177489177,-0.163780664,-0.00308642,0.583333333,0,0,9.11E-16,-0.088955026,-0.177489177,-0.163780664,-0.00308642,0.583333333,0,0,3.31E-15,-0.088955026,-0.177489177,-0.163780664,-0.00308642,0.583333333,0,0,-0.08524173,-0.08008199,-0.125375896,-0.14295628,-0.027707096,0.498727735,0,0,1.175915285,1.254578859,1.276364396,0.941423138,0.598274874,0.009362672,0,0,1.285714286,1.1875,1.11038961,1.048701299,0.753968254,0,0,0,1.285714286,1.1875,1.11038961,1.048701299,0.753968254,0,0,0,1.285714286,1.1875,1.11038961,1.048701299,0.753968254,0,0,0,1.285714286,1.1875,1.11038961,1.048701299,0.753968254,0,0,0,1.285714286,1.1875,1.11038961,1.048701299,0.753968254,0,0,0,1.374045802,1.102894402,1.077897294,1.097675226,0.797709924,0,0,0,23.43607279,11.7180364,17.66296115,23.43607279,3.348010399,11.71806268,-7.11E-15,0.124913877,0.01784484,-1.456091536,55.20545693,7.886493847,2.807743264,23.43607279,11.7180364,17.66296115,23.43607279,3.348010399,11.71806268,-7.11E-15,0.124913877,0.01784484,-1.456091536,55.20545693,7.886493847,2.807743264,23.43607279,11.7180364,17.66296115,23.43607279,3.348010399,11.71806268,-7.11E-15,0.124913877,0.01784484,-1.456091536,55.20545693,7.886493847,2.807743264,23.43607279,11.7180364,17.66296115,23.43607279,3.348010399,11.71806268,-7.11E-15,0.124913877,0.01784484,-1.456091536,55.20545693,7.886493847,2.807743264,23.43607279,11.7180364,17.66296115,23.43607279,3.348010399,11.71806268,-7.11E-15,0.124913877,0.01784484,-1.456091536,55.20545693,7.886493847,2.807743264,23.43607279,11.7180364,17.66296115,23.43607279,3.348010399,11.71806268,-7.11E-15,0.124913877,0.01784484,-1.456091536,55.20545693,7.886493847,2.807743264,24.9744356,12.43166225,18.67816503,24.89507052,3.556438646,12.43167536,-0.111111111,0.06001718,0.008573883,-1.969187101,53.17751416,7.596787737,2.781544949,0,11.9,12.10010405,-0.138955647,0.061654571,5.483371444,8.12075541,7,19,18,18,6,1,1,0,0,1,13.118484,3.697845023,3.000006459,2.386441979,2.287266273,1.578943158,1.146644373,0.33224384,0.083923071,1.812982874,1.688009678,1.411981227,0.828545755,0.644337811,0.539995336,0.083923071,0.083923071,3.716038364,3.041468863,2.431368911,2.340345107,1.673208836,1.264009038,0.462866232,0.270913902,1.760196156,1.619984647,1.3275882,0.696279603,0.503728022,0.39604531,0.270913902,0.270913902,3.798333088,3.222867839,2.634884405,2.57152939,2.057833821,1.728447911,0.957943159,0.943918427,1.617992325,1.417783233,1.062816224,0.261155555,0.042566588,0.093984872,0.943918427,0.943918427,3.729560522,3.07200298,2.46482111,2.37945964,1.741150428,1.347711159,0.554853957,0.399277246,1.727736984,1.576463023,1.272382036,0.608163068,0.410112551,0.299038661,0.399277246,0.399277246,3.839855211,3.309932429,2.736796993,2.680327181,2.226766195,1.925803745,1.207644823,1.207644823,1.577636859,1.354240218,0.975305341,0.110189835,0.116569344,0.271675982,1.15551411,1.207644823,3.750279379,3.145806865,2.549266749,2.41842604,1.849527541,1.470497319,0.702453117,0.6,1.676211915,1.563369207,1.147605811,0.477489125,0.272164465,0.149416488,0.6,0.6,0,0,0,1,1,1,4,0,0,0,0,0.144337567,0.102062073,0.102062073,0,0,0.102062073,0.072168784,0.072168784,0.204124145,0,0,0,0.144337567,0,0,0,0.49279928,0.594861352,0.204124145,0.348461713,0.420630496,0.144337567,5.112884175,3.431851653,2.558730745,2.052095141,1.418611262,0.49279928,0.204124145,0,0.730412025,0.490264522,0.319841343,0.228010571,0.157623474,0.12319982,0.102062073,0,4.905777394,3.111136987,2.108154351,1.58915195,1.058486698,0.37139964,0.144337567,0,0.700825342,0.444448141,0.263519294,0.176572439,0.117609633,0.09284991,0.072168784,0,10.25096682,18.32702112,17.35294118,17.56,11.79132695,144.9122251,0.53952457,0.964580059,0.913312693,0.924210526,0.620596155,7.626959218,2.43289,31.955,22.87726984,33.16178179,45.75453968,6.536362811,22.87726984,0.106509552,0.01521565,-1.567664427,23.73191568,3.390273668,2.216774557,44,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,5,3,0,1,0,0,0,0,0,0,0,0,1,0,4,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,1.369791667,0.870833333,0,0.288541667,0,0,0,0,0,0,0,0,2.233287037,0,5.391712963,0,2.375,0,0,0,0,1.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.243402778,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.233287037,0,1.277777778,0,2.375,0,0,0,0,1.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.290277778,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.233287037,0,1.405925926,0,2.375,0,0,0,0,1.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.66666667,1.666666667,0.290277778,2.375,0.041666667,1.277777778,3.993585648,0.222222222,0.375,1.216574074,0.222222222,0.375,1.216574074,3.5,0.5,0,0,0.44737,0.7,0.43333,0.43333,0.7,0.01404,0.01404,0,0,0.71429,0,0,0.14286,0.14286,0,4.5,0.64286,3.5,0.5,1,0.14286,-2.5,-0.35714,0,0,5.57614,0.79659,6.53706,0.96091,0.13727,2.91672,0.41667,3.43185,0.51512,0.07359,-0.01785,-0.00255,0.06815,0.00974,0.263157895,7,0,0,0,0,0,0,0.714285714,0.949452015,1.994841445,2.970840013,3.366091329,3.576617645,3.576617645,18.03958829,37.90198745,56.44596025,63.95573525,67.95573525,67.95573525,0.223509467,0.469603457,0.699362219,0.792407902,0.841967673,0.841967673,3.298475498,2.253086069,1.2770875,0.881836184,0.671309869,0.671309869,0.219682511,0.461562849,0.687387654,0.778840197,0.8275514,0.8275514,6.790838447,16.46261862,19.04005469,20.59546991,20.8076436,20.8076436,27.3155423,18.17927904,16.12953415,14.13567519,13.61023202,13.61023202,5.142857143,2.34375,1.185185185,2,2,2,2.23,0.9433,0,1.850535862,0.5,0,5.676240019,3.789291416,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.076,0.353,0.392,3.54,8,9,9,4,2,0,0,0,0,46,2.197224577,2.48490665,2.708050201,2.772588722,1.945910149,1.386294361,0,0,0,0,4.17438727,1.391304348,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,2,0.285714286,0,2,4,1,1,0.444444444,0.222222222,0.125,0,0,0,0,0,0,0.142857143,0.055555556,0.055555556,0.0625,0,0,0,0,0,0,0.316468254,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,0,114.6354337,3.807354922,3.433987204,4.17438727,4.934473933,5.693732139,6.459904454,7.22329568,7.990576882,8.755107122,9.522446728,72.18791141,2.708050201,0,3.850147602,2.397895273,5.176149733,4.442651256,6.577861358,6.259581464,8.017966703,8.436416881,96.09390038,5.057573704,13.58523637,1.940748052,0,0,0,43,4,2.855,30,1.288446475,2.268175339,3.117199226,3.951675891,4.629182039,5.601489374,0,0,0,0,93.06062725,98.78658284,70.03186961,68.15670177,25.86484852,5.6914717,0,0,0,0,328.8175894,406.4326173,372.510353,409.1005868,303.4991967,174.1152641,0,0,0,0,9.418553152,16.24339963,21.9087398,27.61359236,31.86259209,37.63340471,0,0,0,0,2.416719621,3.242694496,3.326039261,3.818220527,3.334492849,2.490494462,0,0,0,0,181.8584459,343.5830373,501.9292508,648.0632687,795.3534764,1035.814263,0,0,0,0,2.721561975,4.086301637,4.889830077,5.888136066,5.977862354,5.601489374,0,0,0,0,0.4982543,0.679248311,0.710926566,0.822303095,0.736564444,0.573592512,0,0,0,0,304.7090929,111.5912026,9.106434378,141.8963154,-51.965566,-6.066380229,162.8127775,163.5567686,15.17281461,0.682278108,0.249865319,0.020390336,0.317721892,-0.116356777,-0.013583311,136.0847288,49.83723459,4.066982843,63.37166186,-23.20810282,-2.709278219,0.156086735,0.231446555,3.411522794,2.620325531,446.6054082,0,1,0,420.0728545,20.49567892,7.489305377,536.5295998,23.1631086,8.125770687,654.945453,25.5919021,8.684304519,1.462289308,1.384635505,359.9325545,302.6897255,101.9541916,1.189113882,3.530336015,2.968879658,3.819817699,3.548126297,6.601908458,0.860674594,3.42848078,3.664383848,6.422089709,9.454306767,6.934353634,11.74906589,4.594759968,6.089064237,3.224657233,2.787160634,1.507676584,0.355197182,1.31E-07,9.36E-36,1.29E-85,3.42E-157,1.75E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0.287743117,3.664154529,1.716084788,3.205128221,0.344688435,1.255298531,0.151945825,0.394174735,0.347261847,0.172095395,0.010660549,0.002501683,9.23E-10,6.59E-38,9.08E-88,2.41E-159,1.24E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0.928834632,3.664170301,2.622736713,4.082503792,1.155059514,2.953939261,0.624473017,0.929306071,0.858900465,0.596274393,0.110762475,0.026069464,9.62E-09,6.87E-37,9.46E-87,2.51E-158,1.29E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,3.236207071,3.664358829,6.114907857,8.930861259,6.341772803,10.94979857,4.169116881,5.518503201,3.021725307,2.588291272,1.343341516,0.316474294,1.17E-07,8.34E-36,1.15E-85,3.05E-157,1.56E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,1.368923859,3.664190343,3.261141929,4.803032892,1.870123313,4.251645901,1.077814407,1.482920367,1.232600973,0.92000592,0.240487892,0.056626358,2.09E-08,1.49E-36,2.05E-86,5.46E-158,2.80E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,4.140383782,3.664488948,7.581113841,11.55234317,9.343197798,14.88648033,6.345190932,8.453572957,4.006429315,3.567512675,2.198668072,0.518021708,1.91E-07,1.36E-35,1.88E-85,4.99E-157,2.56E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,2.066896953,3.635719787,4.252794891,6.168468218,3.419783416,6.832440592,1.935641809,2.61198299,1.842176925,1.431639309,0.542949744,0.127870986,4.72E-08,3.37E-36,4.64E-86,1.23E-157,6.31E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,3.96102803,1.417459021,0.633960437,0.658804595,0.235754079,0.595354291,0.571757808,0.446782881,6.012447488,9.024342917,18.59622145,0.488206892,1.613894979,2.932147455,0.830989336,0.234476433,0.733474523,0.20787137,0.326610915,0.196353051,0.06092192,3.997613224,3.31895016,7.887884737,0.600211785,0.583885886,3.321374852,1.052843682,0.385678099,0.697782979,0.221190451,0.418864319,0.315291202,0.165133212,4.759896633,5.183928818,11.29249877,0.546674468,0.899288733,3.933505456,1.401770229,0.623281617,0.660143934,0.235253293,0.587123434,0.559160406,0.431845352,5.958557302,8.8392501,18.23450174,0.4902159,1.578129191,3.502831609,1.156275603,0.456133015,0.684783403,0.22604522,0.465787578,0.380336709,0.231104185,5.115240227,6.175411352,13.13809919,0.527175104,1.077228472,4.047927116,1.466994579,0.667675401,0.654729243,0.237278049,0.621718129,0.612454822,0.495606647,6.182597096,9.620464689,19.76791003,0.482093864,1.729779598,3.936819431,1.403501412,0.624595522,0.659995747,0.235292723,0.588072742,0.56065036,0.432992649,5.964916365,8.860872115,18.27688588,0.48999362,1.581715751 +UMLMON0262,L,1-ethylcyclopentene,CCC1=CCCC1,137448,,"Sandia, UML",[1],C7H12,PubChem,,72,0,-0.519,0.269361,35.8531,26.508688,0,0,25,9,16,0,9,0,0,0,0,0,0,0,0,0,1314.634113,1636.354618,2415.253022,1592.176495,941.542228,387.593305,79.840656,6.096384,0,4308.992027,6070.954879,9849.478304,9019.596276,5942.054793,3265.869607,1164.274226,186.5024666,0,175.360068,189.287272,387.07916,548.156284,470.921296,303.619492,163.238976,40.310784,0,32.21390648,45.70570896,78.23492116,81.86066088,57.67197385,33.9480202,14.01536674,2.667677429,0,4099.831637,3717.904324,8154.383728,12554.13899,11483.43934,7505.941516,4279.048127,1109.505912,0,36.58333333,46.02777778,83.80555556,107.75,88.75,57,27.5,6,0,52.58536452,62.93671608,44.72690781,20.41251917,13.84620924,8.80893875,3.326694,1.016064,0,172.3596811,233.4982646,182.3977464,115.6358497,87.38315872,74.22430925,48.51142609,31.08374443,0,7.01440272,7.280279692,7.168132593,7.027644667,6.925313176,6.900443,6.801624,6.718464,0,1.288556259,1.757911883,1.448794836,1.049495652,0.848117262,0.771545914,0.583973614,0.444612905,0,163.9932655,142.9963202,151.0071061,160.9504998,168.8741079,170.5895799,178.293672,184.917652,0,1.463333333,1.770299145,1.551954733,1.381410256,1.305147059,1.295454545,1.145833333,1,0,0.032161983,-6.13E-04,-0.005805726,-0.020670932,0.004984284,-0.003000307,0.005358664,0.003665892,0,697.3402118,49.58863729,-72.83331101,-543.7316596,25.76284672,-60.24244608,158.6448982,94.1409286,0,1296.733901,92.21218854,-135.4366519,-1011.092239,47.90711358,-112.0234009,295.0069626,175.0590767,0,0.13660416,0.009714074,-0.014267546,-0.106513299,0.005046765,-0.011801082,0.031077446,0.018441562,0,5.797003881,0.412231387,-0.60546485,-4.520052748,0.214167088,-0.500796724,1.318818383,0.782595524,0,31.48941709,2.239247437,-3.288894673,-24.55299827,1.16335902,-2.720335754,7.163842387,4.251071307,0,1.773333333,-0.369822222,-0.304844444,-0.566133333,0.336533333,-0.3244,0.1476,0.1944,0,0.001286479,-2.36E-05,-1.08E-04,-2.65E-04,7.33E-05,-6.82E-05,2.23E-04,6.11E-04,0,27.89360847,1.90725528,-1.348765019,-6.970918713,0.378865393,-1.369146502,6.610204091,15.69015477,0,51.86935606,3.546622636,-2.508086147,-12.96272102,0.704516376,-2.545986385,12.29195677,29.17651278,0,0.005464166,3.74E-04,-2.64E-04,-0.001365555,7.42E-05,-2.68E-04,0.001294894,0.003073594,0,0.231880155,0.015855053,-0.011212312,-0.057949394,0.003149516,-0.011381744,0.054950766,0.130432587,0,1.259576683,0.086124901,-0.060905457,-0.314782029,0.017108221,-0.061825813,0.298493433,0.708511884,0,0.070933333,-0.014223932,-0.005645267,-0.00725812,0.00494902,-0.007372727,0.00615,0.0324,0,-0.018322711,-0.083571844,-0.205997833,0.056975886,-0.053004186,0.173557125,0.474925657,0,0.068376068,-0.048353909,-0.249910969,0.013582516,-0.049084596,0.236979167,0.5625,0,0.068376068,-0.048353909,-0.249910969,0.013582516,-0.049084596,0.236979167,0.5625,0,0.068376068,-0.048353909,-0.249910969,0.013582516,-0.049084596,0.236979167,0.5625,0,0.068376068,-0.048353909,-0.249910969,0.013582516,-0.049084596,0.236979167,0.5625,0,0.068376068,-0.048353909,-0.249910969,0.013582516,-0.049084596,0.236979167,0.5625,0,-0.200525352,-0.079585538,-0.102323115,0.069770013,-0.103938824,0.086701128,0.456766917,0,1.372237257,1.181823083,1.15549041,0.840847929,0.92915953,0.511805907,0.005185439,0,1.282051282,1.234567901,1.228632479,0.827205882,0.852272727,0.434027778,0,0,1.282051282,1.234567901,1.228632479,0.827205882,0.852272727,0.434027778,0,0,1.282051282,1.234567901,1.228632479,0.827205882,0.852272727,0.434027778,0,0,1.282051282,1.234567901,1.228632479,0.827205882,0.852272727,0.434027778,0,0,1.282051282,1.234567901,1.228632479,0.827205882,0.852272727,0.434027778,0,0,1.633892423,0.988582568,0.89888182,0.892857143,1.24316473,0.77537594,0,0,36.69991975,18.34995988,26.95406031,36.69991975,4.077768861,18.34995992,-2.84E-14,0.178591935,0.019843548,-1.550386594,73.43100289,8.159000321,3.866711606,36.69991975,18.34995988,26.95406031,36.69991975,4.077768861,18.34995992,-2.84E-14,0.178591935,0.019843548,-1.550386594,73.43100289,8.159000321,3.866711606,36.69991975,18.34995988,26.95406031,36.69991975,4.077768861,18.34995992,-2.84E-14,0.178591935,0.019843548,-1.550386594,73.43100289,8.159000321,3.866711606,36.69991975,18.34995988,26.95406031,36.69991975,4.077768861,18.34995992,-2.84E-14,0.178591935,0.019843548,-1.550386594,73.43100289,8.159000321,3.866711606,36.69991975,18.34995988,26.95406031,36.69991975,4.077768861,18.34995992,-2.84E-14,0.178591935,0.019843548,-1.550386594,73.43100289,8.159000321,3.866711606,36.69991975,18.34995988,26.95406031,36.69991975,4.077768861,18.34995992,-2.84E-14,0.178591935,0.019843548,-1.550386594,73.43100289,8.159000321,3.866711606,40.36312728,20.07372735,29.65911121,40.29368283,4.47707587,20.07372735,-0.125,0.132426612,0.014714068,-1.819553996,58.08542941,6.453936601,3.655723363,0,11.9,12.1001487,-0.14233521,0.058021305,5.592496439,8.875286223,10,26,26,26,10,0,0,0,0,0,17.491312,3.815581434,3.130561673,2.651344861,2.489066665,2.300015105,1.678903774,1.237041468,0.897311967,1.92032553,1.695403632,1.587143715,1.275217274,0.843571365,0.734954337,0.509936521,0.385174528,3.834834169,3.166418399,2.695183781,2.531137307,2.355316854,1.768117789,1.345365343,1.025598039,1.868311308,1.634073692,1.510403232,1.180765806,0.712824467,0.597783134,0.36187038,0.229863624,3.919826711,3.325122545,2.89151067,2.717839236,2.596735556,2.136600462,1.782071346,1.529544334,1.718991812,1.459966899,1.276406156,0.88804356,0.283948673,0.143037108,0.137300177,0.297573879,3.849028504,3.192916985,2.727779882,2.56222078,2.396069412,1.832699373,1.423155417,1.116879905,1.835523394,1.595592584,1.460706358,1.119275447,0.625812964,0.506161059,0.26235964,0.125218908,3.961568161,3.402463509,2.987157376,2.809674639,2.711277247,2.300451029,1.970962674,1.741819699,1.673502386,1.40755142,1.201623989,0.792506546,0.135625739,0.016409533,0.315485351,0.487692049,3.841292356,3.331510474,2.816825302,2.605204357,2.49706146,2.00110641,1.581525208,1.296376334,1.803557858,1.558674962,1.3260536,0.961865328,0.428699271,0.319740775,0.075867271,0.066505751,0,0,0,0,0,1,5,3,0,0,0,0.214076175,0.423540242,0.645391651,0,0,0.214076175,0.423540242,0.645391651,0.537457479,0,0.083333333,0,0.537457479,0,0.083333333,0,1.328412235,2.137065828,2.070500619,1.328412235,2.137065828,2.070500619,6.267584714,4.398178148,3.843187795,3.408915358,2.876464011,1.788440543,0.884736607,0.308603994,0.696398302,0.439817815,0.274513414,0.179416598,0.11505856,0.077758284,0.055296038,0.044086285,6.267584714,4.398178148,3.843187795,3.408915358,2.876464011,1.788440543,0.884736607,0.308603994,0.696398302,0.439817815,0.274513414,0.179416598,0.11505856,0.077758284,0.055296038,0.044086285,13.33462243,24.10269483,22.80392157,23.08,15.38843593,190.9687353,0.533384897,0.964107793,0.912156863,0.9232,0.615537437,7.638749413,2.8326,39.229,42.01487823,57.57805342,84.02975646,9.336639606,42.01487823,0.060163343,0.006684816,-2.529622836,40.90222947,4.544692163,3.340066115,75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,1,0,5,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,2.352546296,0,7.713472222,0,0,0,3.433981481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.352546296,0,1.445601852,0,0,0,1.128472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.352546296,0,1.581851852,0,0,0,1.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.5,1.5,0.2,2.352546296,0.2,1.128472222,6.193635741,0.204861111,0.352546296,1.240833333,0.204861111,0.352546296,1.240833333,4.5,0.5,0,0,0.444,0.7,0.444,0.444,0.7,0,0,0,0,0.71429,0,0,0.11111,0.33333,0,5,0.55556,5,0.55556,0,0,-5,-0.55556,0,0,9.45953,1.05106,9.45953,0,0,4.39816,0.48868,4.39816,0,0,0.01584,0.00176,0.18784,0.02087,0.28,28,0,0,0,0,0,0,1,0.942683189,1.429275071,2.694693952,3.38346519,3.448884071,3.749275071,23.56707973,35.73187677,67.36734879,84.58662974,86.22210176,93.73187677,0.202995776,0.307777634,0.580270758,0.728589571,0.74267676,0.807362441,3.701173001,3.214581119,1.949162238,1.260391,1.194972119,0.894581119,0.200552128,0.304072631,0.573285504,0.719818866,0.733736475,0.797643475,6.78267514,12.62177772,18.45424674,18.81649342,19.7617982,22.15520198,35.24630968,28.24639181,21.32799812,20.40054013,19.17048306,15.57441866,5.76,2,0.797783934,2,0,2,2.45,1.1595,0,1.670812655,1.040041912,0,4.427337466,9.818905799,0,1.889881575,0,0,0,0,0,0,0,0,0,0,0,0.003,0.111,0.124,0.31,0.411,4.293,14,19,25,23,16,7,2,0,0,125,2.397895273,2.708050201,2.995732274,3.258096538,3.17805383,2.833213344,2.079441542,1.098612289,0,0,4.836281907,1,0.4,2,0,0,2,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,3,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,2,0.2,0,3,5,0.666666667,2,0.888888889,0.409722222,0.276111111,0.0625,0,0,0,0,0,0.2,0.063492063,0.058531746,0.069027778,0.0625,0,0,0,0,0,0.453551587,18.34995988,26.95406031,36.69991975,4.077768861,18.34995992,0.178591935,0.019843548,-1.550386594,73.43100289,8.159000321,3.866711606,0,139.5074029,4.169925001,3.891820298,4.744932128,5.624017506,6.49677499,7.379632153,8.257126286,9.139810606,10.01900135,10.90115549,85.4542708,3.044522438,0,4.343805422,3.044522438,5.860786223,5.351858133,7.471363088,7.390798522,9.130322664,9.494917629,124.1252005,4.96500802,18.30374566,2.033749518,0,0,0,80,7,4.598,48,1.266169802,2.179059425,2.927500671,3.629805531,4.119441539,4.598850733,5.668557088,0,0,0,92.14547178,105.0473988,63.24529702,51.75134321,38.2946391,16.56293956,5.759616789,0,0,0,324.7535683,418.2334177,352.1514648,321.3601677,311.6730196,232.6301702,176.1999798,0,0,0,9.257930637,15.66330746,20.61910285,25.14665874,28.4400876,31.32514405,38.08399673,0,0,0,2.383731186,3.281128341,3.16674381,3.103728605,3.214956197,2.761841158,2.520313633,0,0,0,178.5759707,325.9763949,467.6806003,612.3295272,701.7080427,816.3225069,1048.216267,0,0,0,2.291819693,3.44131992,4.101593551,4.749472721,5.362668657,5.360376847,5.668557088,0,0,0,0.491332821,0.685107195,0.677217644,0.673208971,0.704029884,0.618437395,0.580460246,0,0,0,321.3448732,136.8794382,8.501594289,77.17499068,-32.87330918,-4.126655654,244.1698825,169.7527474,12.62824994,0.806345937,0.34346955,0.021332925,0.193654063,-0.082488509,-0.010354956,128.0623151,54.54917508,3.388054198,30.75576678,-13.1006667,-1.644554249,0.070743494,0.152415474,1.045413985,3.532633438,398.5198638,0,1,0,632.8157207,25.15582876,8.585371384,787.808298,28.06792294,9.235778675,1144.628059,33.83235226,10.46055665,1.205336143,1.130279003,377.0273319,351.6023906,165.6399639,1.072311628,2.276185788,2.122690576,3.76520142,3.407468915,6.414749876,0.882555655,4.46240887,8.231766662,5.906965811,15.50862866,10.29965386,11.01419978,10.78113986,4.037903089,2.325007599,2.970114203,2.028206728,0.483474158,1.33E-15,7.08E-52,7.26E-110,1.44E-189,5.48E-291,0,0,0,0,0,0,0,0,0,0,0,0,0,0.37449906,7.604071937,0.374132859,4.90674346,1.447299058,1.722067697,2.011191706,0.296769724,0.104165232,0.130396705,0.014284828,0.003405148,9.38E-18,4.99E-54,5.11E-112,1.01E-191,3.86E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928603,7.646016458,1.287148149,6.290668506,2.676710074,3.094464299,2.903326832,0.965516074,0.395842086,0.499259599,0.148858906,0.035484268,9.78E-17,5.20E-53,5.33E-111,1.05E-190,4.02E-292,0,0,0,0,0,0,0,0,0,0,0,0,0,4.21214996,8.162851532,5.491710909,14.58359912,9.553403349,10.25985306,9.926567884,3.775301559,2.13186478,2.721700341,1.807095682,0.430766771,1.19E-15,6.31E-52,6.47E-110,1.28E-189,4.88E-291,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738325,7.700399084,1.978144465,7.472331087,3.692146763,4.192254683,3.782383901,1.452766875,0.644064677,0.815058542,0.323341428,0.077076571,2.12E-16,1.13E-52,1.16E-110,2.29E-190,8.73E-292,0,0,0,0,0,0,0,0,0,0,0,0,0,5.38900497,8.521545326,7.531371899,19.24696228,13.29466876,14.01781502,14.30593935,5.048316872,3.105057162,3.974545735,2.95794889,0.705101622,1.94E-15,1.03E-51,1.06E-109,2.09E-189,7.99E-291,0,0,0,0,0,0,0,0,0,0,0,0,0,3.098895048,7.468678467,3.467618252,10.62215931,6.28454143,6.660692276,6.776015801,2.705573653,1.224809371,1.743819366,0.901425228,0.214877404,5.92E-16,3.15E-52,3.23E-110,6.38E-190,2.43E-291,0,0,0,0,0,0,0,0,0,0,0,0,0,3.088146884,1.301548416,1.074120384,0.565199681,0.238212358,0.501761876,0.49809714,0.43487141,5.463815685,8.734433889,18.51553971,0.347799522,1.434730426,2.277303537,0.770042348,0.564762198,0.630463841,0.21318364,0.274374958,0.168481892,0.117155092,3.612108083,3.474645924,8.077132385,0.445695762,0.560011942,2.586708104,0.972370343,0.761660496,0.59867262,0.225047233,0.352969959,0.272043964,0.215595223,4.320738943,5.226047703,11.46254426,0.39800893,0.840609145,3.066757241,1.287479848,1.060934305,0.566326902,0.237754219,0.494870868,0.486950936,0.424061149,5.415171394,8.567947645,18.17209947,0.349490353,1.405882953,2.729863222,1.066199387,0.851627673,0.587359109,0.229404139,0.392737255,0.329118515,0.27080369,4.647690282,6.14341046,13.26982993,0.381038663,0.99265946,3.155570444,1.345907845,1.115611794,0.561780281,0.239609446,0.523801938,0.534114472,0.469773342,5.617090083,9.269009285,19.62422205,0.342670421,1.527689752,3.081439624,1.290978343,1.063665605,0.5668492,0.237483167,0.499497237,0.489855851,0.42641306,5.436083572,8.628862421,18.29628416,0.3502738,1.415766148 +UMLMON0263,L,"2-ethylbicyclo (2,2,1) heptane",CCC1CC2CCC1C2,137449,,UML,[1],C9H16,UML,,49.7,0,0.778,0.605284,25.9742,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,1010.869782,971.590877,834.439204,261.446976,24.385536,0,0,0,2914.106344,3917.940807,4660.986792,4455.056101,2885.323472,746.0098663,0,0,0,125.864664,130.65468,233.802932,273.291664,270.003456,161.243136,0,0,0,22.06875486,30.09593172,39.77228944,40.09567977,30.71853139,10.67070972,0,0,0,2979.777961,2598.236709,5175.763951,6343.393159,6575.886343,4438.023649,0,0,0,28.05555556,34.02777778,50.33333333,59.33333333,53,24,0,0,0,48.76541633,56.15943233,29.44214779,21.39587703,6.703768615,1.016064,0,0,0,161.8947969,217.6633782,141.242024,114.2322077,73.98265312,31.08374443,0,0,0,6.992481333,7.258593333,7.084937333,7.007478564,6.923165538,6.718464,0,0,0,1.226041937,1.671996207,1.205220892,1.028094353,0.787654651,0.444612905,0,0,0,165.54322,144.3464838,156.8413318,162.6511066,168.6124703,184.917652,0,0,0,1.558641975,1.890432099,1.525252525,1.521367521,1.358974359,1,0,0,0,0.023867144,-0.003060234,-0.006920873,-0.001898084,-0.014874291,0.01481991,0,0,0,484.264036,4.76E-13,-161.4213453,-121.066009,-282.4873543,322.8426907,0,0,0,900.5096538,2.98E-13,-300.1698846,-225.1274134,-525.297298,600.3397692,0,0,0,0.094864,1.36E-15,-0.031621333,-0.023716,-0.055337333,0.063242667,0,0,0,4.025697139,3.16E-15,-1.341899046,-1.006424285,-2.348323331,2.683798093,0,0,0,21.86765075,6.62E-14,-7.289216918,-5.466912688,-12.75612961,14.57843384,0,0,0,1.975308642,-0.87962963,0.245884774,-0.116255144,-1.233539095,0.995884774,0,0,0,0.001325952,-1.70E-04,-2.10E-04,-4.87E-05,-3.81E-04,6.17E-04,0,0,0,26.90355756,2.64E-14,-4.891555919,-3.104256641,-7.243265496,13.45177878,0,0,0,50.0283141,1.66E-14,-9.096057109,-5.77249778,-13.46916149,25.01415705,0,0,0,0.005270222,7.57E-17,-9.58E-04,-6.08E-04,-0.001418906,0.002635111,0,0,0,0.223649841,1.76E-16,-0.040663607,-0.025805751,-0.060213419,0.111824921,0,0,0,1.214869486,3.68E-15,-0.220885361,-0.140177248,-0.327080246,0.607434743,0,0,0,0.109739369,-0.048868313,0.007451054,-0.002980901,-0.031629208,0.041495199,0,0,0,-0.128219521,-0.158168133,-0.036704803,-0.287636319,0.465700149,0,0,0,9.83E-16,-0.181818182,-0.115384615,-0.269230769,0.5,0,0,0,3.31E-16,-0.181818182,-0.115384615,-0.269230769,0.5,0,0,0,1.44E-14,-0.181818182,-0.115384615,-0.269230769,0.5,0,0,0,7.86E-16,-0.181818182,-0.115384615,-0.269230769,0.5,0,0,0,3.03E-15,-0.181818182,-0.115384615,-0.269230769,0.5,0,0,0,-0.4453125,0.067897727,-0.027163462,-0.288221154,0.378125,0,0,0,1.544221896,1.160542382,1.065852204,1.159830913,0.004352738,0,0,0,1.416666667,1.287878788,1.08974359,1.08974359,0,0,0,0,1.416666667,1.287878788,1.08974359,1.08974359,0,0,0,0,1.416666667,1.287878788,1.08974359,1.08974359,0,0,0,0,1.416666667,1.287878788,1.08974359,1.08974359,0,0,0,0,1.416666667,1.287878788,1.08974359,1.08974359,0,0,0,0,1.95234375,0.753409091,1.170793269,1.213701923,0,0,0,0,19.21766938,9.608834689,14.63215581,19.21766938,3.202944896,9.60899955,5.33E-15,0.04957236,0.00826206,-1.802593111,18.40949036,3.068248393,1.747719787,19.21766938,9.608834689,14.63215581,19.21766938,3.202944896,9.60899955,5.33E-15,0.04957236,0.00826206,-1.802593111,18.40949036,3.068248393,1.747719787,19.21766938,9.608834689,14.63215581,19.21766938,3.202944896,9.60899955,5.33E-15,0.04957236,0.00826206,-1.802593111,18.40949036,3.068248393,1.747719787,19.21766938,9.608834689,14.63215581,19.21766938,3.202944896,9.60899955,5.33E-15,0.04957236,0.00826206,-1.802593111,18.40949036,3.068248393,1.747719787,19.21766938,9.608834689,14.63215581,19.21766938,3.202944896,9.60899955,5.33E-15,0.04957236,0.00826206,-1.802593111,18.40949036,3.068248393,1.747719787,19.21766938,9.608834689,14.63215581,19.21766938,3.202944896,9.60899955,5.33E-15,0.04957236,0.00826206,-1.802593111,18.40949036,3.068248393,1.747719787,23.64482974,11.73445191,18.50464088,23.52754579,3.921257631,11.73446945,-0.175925926,0.008196867,0.001366145,-2.882401941,17.68608864,2.94768144,1.723667027,0,11.9,12.1000824,-0.149496681,0.050584937,5.658,7.448507797,6,18,18,18,6,0,0,0,0,0,13.118484,3.7156966,3.037256812,2.333552793,1.523442349,1.456797487,0.833415856,0.083923071,0.083923071,1.808218888,1.372874417,1.249629723,1.168656233,0.51730546,0.279938754,0.083923071,0.083923071,3.737109992,3.076703622,2.405454588,1.608684647,1.556142907,0.96251859,0.270913902,0.270913902,1.744803776,1.285229005,1.134540686,1.074178488,0.368916515,0.113462465,0.270913902,0.270913902,3.831777536,3.249623253,2.704236987,1.966616184,1.9628467,1.471477322,0.943918427,0.943918427,1.561195271,1.018928274,0.783924598,0.76031856,0.133490987,0.467808294,0.943918427,0.943918427,3.752907392,3.105767052,2.457539916,1.670775497,1.62787375,1.054525846,0.399277246,0.399277246,1.70463922,1.228596505,1.058262671,1.012854847,0.269074306,2.98E-04,0.399277246,0.399277246,3.878291977,3.332899355,2.838982085,2.141548494,2.128156859,1.686325086,1.207644823,1.207644823,1.505154632,0.933903671,0.690336856,0.631337262,0.314375752,0.686021752,1.207644823,1.207644823,3.715861511,3.205371073,2.690669079,1.745700724,1.731508339,1.183845779,0.620689655,0.620689655,1.652298882,1.179784201,0.935388799,0.828600113,0.123995515,0.171248937,0.620689655,0.620689655,0,0,0,0,0,2,2,2,0,0.288675135,0.166666667,0,0,0,0.288675135,0.166666667,0,0,0,0.5,0,0.166666667,0,0.5,0,0.166666667,0,0.804737854,0.333333333,0,0.804737854,0.333333333,0,4.568914101,2.804530453,2.58144686,1.276142375,0.666666667,0,0,0,0.761485683,0.467421742,0.322680858,0.212690396,0.166666667,0,0,0,4.568914101,2.804530453,2.58144686,1.276142375,0.666666667,0,0,0,0.761485683,0.467421742,0.322680858,0.212690396,0.166666667,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.0524,27.562,12.74882884,19.44587626,25.49765768,4.249609614,12.74883489,0.169657342,0.028276224,-1.064384707,100.3505316,16.72508859,2.765201623,30,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,4.606481481,0,2.99537037,0,0,0,2.064814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.303240741,0,1.497685185,0,0,0,0.962962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.303240741,0,1.497685185,0,0,0,1.101851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.666666667,1.611111111,0.2,2.303240741,0.2,0.962962963,4.311314815,0.37037037,0.303240741,1.212962963,0.37037037,0.303240741,1.212962963,3,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.33333,0.33333,0,3,0.5,3,0.5,0,0,-3,-0.5,0,0,5.23292,0.87215,5.23292,0,0,2.80452,0.46742,2.80452,0,0,0.10948,0.01825,0.19548,0.03258,0.166666667,6,0,0,0,0,0,0,1,0.918295834,1.446616668,2.530493057,2.488554862,2.179846698,1.946616668,16.52932501,26.03910002,45.54887502,44.79398752,39.23724057,35.03910002,0.220218789,0.346916711,0.606843782,0.59678648,0.522754413,0.466822945,3.251629167,2.723308334,1.639431945,1.681370139,1.990078303,2.223308334,0.220218789,0.346916711,0.606843782,0.59678648,0.522754413,0.466822945,6.73287657,13.07272657,15.3864371,13.66182599,12.48657219,9.705042395,23.69925001,17.35940001,17.03625834,18.9335014,15.71281161,13.78354306,4.166666667,1.25,0.979591837,3,0,3,2.12,0.8454,0.5,1.333333333,2.828427125,0,1,2.828427125,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,2.668,8,6,4,0,0,0,0,0,0,30,1.945910149,2.197224577,1.945910149,1.609437912,0,0,0,0,0,0,3.433987204,1,0.333333333,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,3,0.5,0,2,3,0.5,1.5,0.5,0.444444444,0,0,0,0,0,0,0,0.25,0.1,0.111111111,0,0,0,0,0,0,0,0.461111111,9.608834689,14.63215581,19.21766938,3.202944896,9.60899955,0.04957236,0.00826206,-1.802593111,18.40949036,3.068248393,1.747719787,0,99.97590776,3.584962501,3.36729583,4.143134726,4.96284463,5.771441123,6.597145702,7.41397029,8.240385116,9.060098709,9.885985277,71.4423014,2.564949357,1.945910149,3.80666249,3.713572067,5.262690189,5.476463552,6.803505258,7.21303166,8.383204551,8.877242436,84.09390038,4.671883355,10.97733173,1.829555289,0,0,0,28,4,3.292,28,1.226604052,2.134431626,2.923519758,3.579691779,4.274613331,0,0,0,0,0,79.88561468,70.93754203,70.4506691,25.68346861,4.343280719,0,0,0,0,0,292.6884283,324.8571177,356.1187606,277.5518972,132.8709883,0,0,0,0,0,8.938619184,15.17638133,20.53509644,24.84347977,28.71883578,0,0,0,0,0,2.190327287,2.715999526,3.139669099,2.921250971,1.90054825,0,0,0,0,0,174.8645277,330.863259,472.043119,598.7472229,790.4514604,0,0,0,0,0,2.365714976,3.355669451,4.557550782,4.975760114,4.274613331,0,0,0,0,0,0.453088529,0.573674792,0.669987857,0.640075951,0.437720405,0,0,0,0,0,271.1278236,82.79168535,6.836209308,71.57713072,-21.85681723,-4.003411424,199.5506929,104.6485026,10.83962073,0.79114066,0.241582984,0.019947798,0.20885934,-0.06377736,-0.011681802,92.91684839,28.37312074,2.342802798,24.52983731,-7.490439549,-1.371988929,0.098615235,0.204074639,1.500920833,5.718324112,342.7049543,0,1,0,397.4356378,19.93578787,7.352283911,516.1183884,22.71823911,8.021392683,562.7964415,23.72333116,8.256267983,1.3355028,1.125394968,234.8195163,186.4779709,84.78546997,1.259234617,2.769572621,2.199409533,3.401612534,3.242012762,5.394222,0.663849712,4.338827912,4.879453275,3.618088502,11.81630614,8.35587959,6.232079368,7.026075721,7.123200782,2.028627387,0.36684258,1.16E-16,7.89E-54,1.04E-112,2.63E-193,1.29E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.364127799,4.878185191,0.134071992,5.0715052,0.59659274,1.49367262,0.222031328,0.406037993,0.014287789,0.002583702,8.14E-19,5.55E-56,7.31E-115,1.86E-195,9.09E-298,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.175448829,4.878270225,0.544534646,6.051287855,1.23220194,2.25832221,0.954527435,1.437098169,0.148889773,0.02692417,8.48E-18,5.79E-55,7.62E-114,1.93E-194,9.47E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.095499619,4.879314156,3.298422024,11.26295765,7.545410425,5.870338397,6.377340551,6.591680357,1.80747048,0.326850134,1.03E-16,7.03E-54,9.25E-113,2.35E-193,1.15E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.732395282,4.878380206,0.915588265,6.84174803,1.950075856,2.843374512,1.65224826,2.245858309,0.323408483,0.058482895,1.84E-17,1.26E-54,1.65E-113,4.20E-194,2.06E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.239763057,4.880038184,4.922453231,14.02456175,11.73756174,7.652806895,9.691691687,9.227773892,2.95856239,0.535005426,1.69E-16,1.15E-53,1.51E-112,3.84E-193,1.88E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.781125589,4.245984704,1.639012503,8.689476831,3.773478232,3.92598444,3.214124732,3.97380405,0.78154016,0.141328176,4.45E-17,3.04E-54,4.00E-113,1.02E-193,4.97E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.597611732,1.363432701,0.639834843,0.564590283,0.296341768,0.618213295,0.571572557,0.427021987,4.600879276,6.076083021,12.94304538,0.346885425,1.61680784,2.015238578,0.792399481,0.216612049,0.666359761,0.262015195,0.372192608,0.194847841,0.048796504,3.024250108,2.205042237,5.575194495,0.499539641,0.615836952,2.246507464,1.019098201,0.384830373,0.615407979,0.279171636,0.462457994,0.320933089,0.154303297,3.650436038,3.546115961,8.077587164,0.423111968,0.93769438,2.583190735,1.349287211,0.629368434,0.566259913,0.295776556,0.611371339,0.559876162,0.413158616,4.56184638,5.960443707,12.7159325,0.34938987,1.584406117,2.349606709,1.120193393,0.459752778,0.59793233,0.285068919,0.505853458,0.387139694,0.220343173,3.92955288,4.227264148,9.366892735,0.396898495,1.113336325,2.642761016,1.407720402,0.672599433,0.559541769,0.298051303,0.639880429,0.608966433,0.471895744,4.723080852,6.444620107,13.66995151,0.339312654,1.720742606,2.588082257,1.356011741,0.630628785,0.56573532,0.29641397,0.613673275,0.565290813,0.414803251,4.574722783,5.996729134,12.78462467,0.34860298,1.593767339 +UMLMON0264,L,iso-propylcyclopropane,CC(C)C1CC1,137995,,UML,[1],C6H12,PubChem,,88.1,0,1.3688,1.87361344,26.9146,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,1010.869782,1213.722895,681.035378,178.815168,18.289152,0,0,0,2914.106344,3917.940807,5111.241618,4674.02425,2402.602963,559.5073998,0,0,0,125.864664,130.65468,233.850364,276.437576,307.120896,120.932352,0,0,0,22.06875486,30.09593172,41.78513801,43.43428244,28.03475758,8.003032287,0,0,0,2979.777961,2598.236709,5186.697776,6078.098499,7939.753089,3328.517736,0,0,0,29.59027778,35.54166667,52.25,66.25,57,18,0,0,0,48.76541633,56.15943233,36.77948167,17.46244559,3.9736704,1.016064,0,0,0,161.8947969,217.6633782,154.8861097,119.8467756,53.39117695,31.08374443,0,0,0,6.992481333,7.258593333,7.086374667,7.088142974,6.8249088,6.718464,0,0,0,1.226041937,1.671996207,1.266216303,1.11369955,0.622994613,0.444612905,0,0,0,165.54322,144.3464838,157.1726599,155.8486795,176.4389575,184.917652,0,0,0,1.643904321,1.974537037,1.583333333,1.698717949,1.266666667,1,0,0,0,0.022750609,-0.005780765,0.008606645,-0.027773834,0.003731237,0.009841413,0,0,0,484.264036,4.62E-13,80.71067267,-686.0407177,121.066009,242.132018,0,0,0,900.5096538,2.98E-13,150.0849423,-1275.722009,225.1274134,450.2548269,0,0,0,0.094864,1.35E-15,0.015810667,-0.134390667,0.023716,0.047432,0,0,0,4.025697139,3.05E-15,0.670949523,-5.703070947,1.006424285,2.01284857,0,0,0,21.86765075,6.53E-14,3.644608459,-30.9791719,5.466912688,10.93382538,0,0,0,2.497299383,-1.570601852,1.523083848,-1.721000514,-0.406442901,0.926311728,0,0,0,0.001263923,-3.21E-04,2.61E-04,-7.12E-04,8.29E-05,5.47E-04,0,0,0,26.90355756,2.57E-14,2.44577796,-17.59078763,2.690355756,13.45177878,0,0,0,50.0283141,1.66E-14,4.548028554,-32.71082076,5.00283141,25.01415705,0,0,0,0.005270222,7.53E-17,4.79E-04,-0.003445915,5.27E-04,0.002635111,0,0,0,0.223649841,1.70E-16,0.020331804,-0.146232588,0.022364984,0.111824921,0,0,0,1.214869486,3.63E-15,0.110442681,-0.794337741,0.121486949,0.607434743,0,0,0,0.138738855,-0.087255658,0.046154056,-0.044128218,-0.009032064,0.051461763,0,0,0,-0.254092774,0.206347593,-0.563443916,0.065602406,0.43257799,0,0,0,9.54E-16,0.090909091,-0.653846154,0.1,0.5,0,0,0,3.31E-16,0.090909091,-0.653846154,0.1,0.5,0,0,0,1.43E-14,0.090909091,-0.653846154,0.1,0.5,0,0,0,7.58E-16,0.090909091,-0.653846154,0.1,0.5,0,0,0,2.99E-15,0.090909091,-0.653846154,0.1,0.5,0,0,0,-0.62892013,0.332668567,-0.318066763,-0.06510119,0.370925382,0,0,0,1.671018496,0.747733897,1.700192337,0.709745156,2.31E-05,0,0,0,1.416666667,1.03030303,1.743589744,0.566666667,0,0,0,0,1.416666667,1.03030303,1.743589744,0.566666667,0,0,0,0,1.416666667,1.03030303,1.743589744,0.566666667,0,0,0,0,1.416666667,1.03030303,1.743589744,0.566666667,0,0,0,0,1.416666667,1.03030303,1.743589744,0.566666667,0,0,0,0,2.132550595,0.471300367,1.492745012,0.90764715,0,0,0,0,17.98180061,8.990900306,12.8721956,17.98180061,2.996966769,8.991194846,-5.33E-15,0.031682058,0.005280343,-2.07120285,25.7155642,4.285927367,1.948257852,17.98180061,8.990900306,12.8721956,17.98180061,2.996966769,8.991194846,-5.33E-15,0.031682058,0.005280343,-2.07120285,25.7155642,4.285927367,1.948257852,17.98180061,8.990900306,12.8721956,17.98180061,2.996966769,8.991194846,-5.33E-15,0.031682058,0.005280343,-2.07120285,25.7155642,4.285927367,1.948257852,17.98180061,8.990900306,12.8721956,17.98180061,2.996966769,8.991194846,-5.33E-15,0.031682058,0.005280343,-2.07120285,25.7155642,4.285927367,1.948257852,17.98180061,8.990900306,12.8721956,17.98180061,2.996966769,8.991194846,-5.33E-15,0.031682058,0.005280343,-2.07120285,25.7155642,4.285927367,1.948257852,17.98180061,8.990900306,12.8721956,17.98180061,2.996966769,8.991194846,-5.33E-15,0.031682058,0.005280343,-2.07120285,25.7155642,4.285927367,1.948257852,23.64908015,11.70150767,17.27490589,23.48503694,3.914172823,11.70152391,-0.246064815,0.034753161,0.005792193,-2.015690848,20.24436946,3.374061576,1.804726022,0,11.89,12.11007471,-0.156650529,0.065136956,5.562241965,7.889764184,6,18,18,18,6,0,0,0,0,0,13.118484,3.787871835,2.711421023,2.333552793,2.21790976,1.138484544,0.419596015,0.083923071,0.083923071,1.725856227,1.570693476,1.249629723,1.087616311,0.55542488,0.083923071,0.083923071,0.083923071,3.805510431,2.763730034,2.405454588,2.287719262,1.246996656,0.52813238,0.270913902,0.270913902,1.660140259,1.490236167,1.134540686,0.974463757,0.423592973,0.270913902,0.270913902,0.270913902,3.884839416,2.989486311,2.704236987,2.580526588,1.687411127,0.961732243,0.943918427,0.943918427,1.472740212,1.250428726,0.76031856,0.609071846,0.003918807,0.943918427,0.943918427,0.943918427,3.818593832,2.802102969,2.457539916,2.338469307,1.32513824,0.606126464,0.399277246,0.399277246,1.6187271,1.438638434,1.058262671,0.899650014,0.336306281,0.399277246,0.399277246,0.399277246,3.924647126,3.095763922,2.838982085,2.7136364,1.878873338,1.207644823,1.207644823,1.207644823,1.416794487,1.175390724,0.631337262,0.48427386,0.150930821,1.143186756,1.207644823,1.207644823,3.756251834,2.945232688,2.649980131,2.449940335,1.39728139,0.642938213,0.595041322,0.595041322,1.576807405,1.380708006,0.864856164,0.785437857,0.258608548,0.595041322,0.595041322,0.595041322,0,0,0,0,0,3,1,1,1,0.204124145,0.612372436,0.40824829,0,0,0.204124145,0.612372436,0.40824829,0,0,1.254600961,0.204124145,0.204124145,0,1.254600961,0.204124145,0.204124145,0,1.513420006,0.40824829,0,1.513420006,0.40824829,0,4.78445705,2.627827085,3.093752911,1.802095141,0.40824829,0,0,0,0.797409508,0.437971181,0.309375291,0.225261893,0.204124145,0,0,0,4.78445705,2.627827085,3.093752911,1.802095141,0.40824829,0,0,0,0.797409508,0.437971181,0.309375291,0.225261893,0.204124145,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.0524,27.562,12.59174823,18.78980887,25.18349647,4.197249411,12.59175537,0.086070627,0.014345104,-1.471552248,20.78794116,3.46465686,1.82062384,27,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,6.939814815,0,1.4375,0,0,0,0.997685185,0,0,0,0,0,0.708333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.305555556,0,1.4375,0,0,0,0.997685185,0,0,0,0,0,0.708333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.31712963,0,1.4375,0,0,0,0.997685185,0,0,0,0,0,0.708333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.08333333,1.680555556,0.2,2.31712963,0,0.708333333,4.28843287,0.541666667,0.31712963,1.87962963,0.541666667,0.31712963,1.87962963,3,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.5,0.16667,0.16667,3,0.5,3,0.5,0,0,-3,-0.5,0,0,5.68249,0.94708,5.68249,0,0,2.62782,0.43797,2.62782,0,0,0.28618,0.0477,0.37218,0.06203,0.166666667,6,0,0,0,0,0,0,1,0.918295834,1.515789584,2.362740278,2.821888196,2.821888196,2.126900695,16.52932501,27.28421252,42.52932501,50.79398752,50.79398752,38.28421252,0.220218789,0.363505239,0.566614574,0.676723969,0.676723969,0.510057302,3.251629167,2.654135417,1.807184723,1.348036806,1.348036806,2.043024306,0.220218789,0.363505239,0.566614574,0.676723969,0.676723969,0.510057302,6.73287657,13.90280157,16.43872443,16.90146519,16.90146519,8.56161519,23.69925001,16.60451251,15.22255695,15.1849632,15.1849632,11.0150382,4.166666667,0.8,0.592592593,0,0,0,2.12,0.8454,1.144714243,1.5,1.889881575,2.381101578,0,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.14,0.131,0.159,0.212,2.484,10,8,2,0,0,0,0,0,0,32,1.945910149,2.397895273,2.197224577,1.098612289,0,0,0,0,0,0,3.496507561,1,0.333333333,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,0,2,3,0.5,3,1.944444444,0,0,0,0,0,0,0,0,0.5,0.277777778,0,0,0,0,0,0,0,0,0.777777778,8.990900306,12.8721956,17.98180061,2.996966769,8.991194846,0.031682058,0.005280343,-2.07120285,25.7155642,4.285927367,1.948257852,0,99.97590776,3.584962501,3.496507561,4.317488114,5.241747015,6.107022888,7.018401799,7.899153483,8.80282316,9.690108671,10.58963529,75.16288799,2.564949357,1.945910149,3.970291914,4.110873864,5.579729826,6.075346031,7.275864601,7.9490915,9.013473544,9.497247144,84.09390038,4.671883355,10.9411229,1.823520484,0,0,0,26,2,3.329,32,1.227270719,2.132126498,2.998583073,3.522208133,4.010349243,0,0,0,0,0,79.58531966,90.33643719,54.81600837,14.45605523,4.074771493,0,0,0,0,0,292.044432,363.4859746,367.1093659,191.5240449,124.6566709,0,0,0,0,0,8.942377543,15.18121685,21.27487459,24.05530336,26.94338701,0,0,0,0,0,2.187160487,2.900259519,3.388982995,2.222058258,1.783053026,0,0,0,0,0,175.0280419,329.9690229,465.8082944,620.1361416,741.5843657,0,0,0,0,0,2.456664821,3.544177057,5.159572098,4.502935101,4.010349243,0,0,0,0,0,0.452496029,0.60809118,0.726182104,0.495622144,0.410659762,0,0,0,0,0,276.5698475,81.81386352,6.752373612,54.40616702,-16.09422995,-3.028105368,222.1636804,97.90809347,9.78047898,0.835619004,0.247189705,0.020401399,0.164380996,-0.048626575,-0.009149018,91.53798584,27.07842648,2.234873706,18.00713633,-5.326804086,-1.002230246,0.10258411,0.209288417,1.738337901,4.528304884,330.9760145,0,1,0,400.9318477,20.02328264,7.373780154,518.6392712,22.773653,8.034431137,587.850167,24.2456216,8.37700707,1.081726439,1.033426501,190.9304406,162.5545612,97.78454798,1.174562185,1.952562491,1.662374727,3.289236329,3.225180717,5.345668371,0.657478709,3.94201942,4.98118907,2.9560867,12.20604618,5.499414529,15.80064042,7.557689585,2.644894264,1.577249191,0.092381811,2.54E-19,1.35E-58,1.39E-119,2.74E-202,1.04E-306,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.330826411,4.980432059,0.169776767,6.842738047,0.248297288,0.641589261,0.131298028,0.132620635,0.011108697,6.51E-04,1.79E-21,9.52E-61,9.76E-122,1.93E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.067947892,4.980483011,0.599658884,7.751806572,0.889084772,2.521817974,0.733380092,0.48698887,0.115761171,0.006780302,1.87E-20,9.92E-60,1.02E-120,2.01E-203,7.66E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.720944772,4.981106087,2.736385623,11.81201485,5.025443957,14.44312109,6.779778064,2.435043718,1.405300634,0.082310531,2.27E-19,1.20E-58,1.23E-119,2.44E-202,9.31E-307,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.57395868,4.980548741,0.935990822,8.4309909,1.456961124,4.173014639,1.418017515,0.777295781,0.251448728,0.014727723,4.06E-20,2.16E-59,2.21E-120,4.37E-203,1.66E-307,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.760559336,4.98153792,3.825318854,13.73955681,7.427467584,21.31458062,10.8049982,3.485518034,2.300269707,0.13473019,3.71E-19,1.97E-58,2.02E-119,4.00E-202,1.52E-306,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.509865708,4.019632196,1.260275101,9.776396917,2.6637504,7.632620139,2.988233032,1.461485908,0.558463214,0.032710014,9.01E-20,4.79E-59,4.91E-120,9.70E-203,3.70E-307,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.239816301,1.293368563,0.844799607,0.51160901,0.295425571,0.476761937,0.489811589,0.456432465,4.377984471,5.881741176,12.70703238,0.267413515,1.423005991,1.520219693,0.755798687,0.412993585,0.565345083,0.281069291,0.222536223,0.172730134,0.111015219,2.689011964,2.088961037,5.25249439,0.348017625,0.506281576,1.804342372,0.970421388,0.585053262,0.537035904,0.288831618,0.310929883,0.280978624,0.221605317,3.359817022,3.374357018,7.758586171,0.305553856,0.813513824,2.221850084,1.280164151,0.834156036,0.512399178,0.295229216,0.469180542,0.480207561,0.445238033,4.336170271,5.765559138,12.4743468,0.268598767,1.394626137,1.931759896,1.065587459,0.661475092,0.527973118,0.291237816,0.355606743,0.336840084,0.282329011,3.658822446,4.041129734,9.061571614,0.291959677,0.974775838,2.296103382,1.33467892,0.878111267,0.509238763,0.296010296,0.500930477,0.520440053,0.492326998,4.508893569,6.25279163,13.45271055,0.263858144,1.513697528,2.232505276,1.283295146,0.834919865,0.513134637,0.294961538,0.473662019,0.482223058,0.445339229,4.350720287,5.800374798,12.54310976,0.269701956,1.401224305 +UMLMON0265,L,"1,1,2-trimethylcyclopropane",CC1CC1(C)C,138125,,UML,[1],C6H12,PubChem,,87.8,0,1.659,2.752281,26.7866,17.22793,0,0,16,6,10,0,6,0,0,0,0,0,0,0,0,0,875.745366,842.391485,897.932285,683.062635,408.754418,97.872768,6.096384,0,0,2851.938855,3264.950672,3941.483349,3813.952988,2479.852856,948.9766754,186.5024666,0,0,112.427736,108.8789,184.378676,218.7219,226.54676,63.65952,40.310784,0,0,21.17952905,25.0799431,32.64641067,34.19448944,24.71225129,9.352967385,2.667677429,0,0,2609.942657,2165.197258,4072.111013,4922.175239,5731.67509,1409.898034,1109.505912,0,0,44.27777778,41.41666667,50,64.33333333,59.33333333,29,6,0,0,54.73408538,56.15943233,34.53585712,22.03427855,12.38649752,10.874752,1.016064,0,0,178.2461784,217.6633782,151.5955134,123.0307416,75.14705625,105.4418528,31.08374443,0,0,7.0267335,7.258593333,7.091487538,7.055545161,6.865053333,7.07328,6.718464,0,0,1.323720566,1.671996207,1.25563118,1.103048046,0.7488561,1.039218598,0.444612905,0,0,163.121416,144.3464838,156.6196543,158.7798464,173.687124,156.6553371,184.917652,0,0,2.767361111,2.761111111,1.923076923,2.075268817,1.797979798,3.222222222,1,0,0,0.057235647,-0.008054881,-0.023135133,-0.004415771,0.017955963,-0.028209343,0.017241343,0,0,453.9975338,-47.29140977,-41.61644059,-289.4234278,259.1569255,-209.9738594,102.1494451,0,0,844.2278004,-87.94039587,-77.38754837,-538.1952228,481.9133694,-390.4553577,189.9512551,0,0,0.088935,-0.009264062,-0.008152375,-0.056696062,0.050767062,-0.041132437,0.020010375,0,0,3.774091068,-0.393134486,-0.345958348,-2.405983056,2.154376985,-1.745517119,0.84917049,0,0,20.50092258,-2.135512769,-1.879251237,-13.06933815,11.70260997,-9.481676694,4.612707581,0,0,10.25,-0.085069444,0.295138889,-2.932291667,3.612847222,-7.276041667,1.260416667,0,0,0.003577228,-5.37E-04,-8.90E-04,-1.42E-04,5.44E-04,-0.003134371,0.002873557,0,0,28.37484586,-3.152760651,-1.600632331,-9.336239605,7.853240167,-23.33042882,17.02490752,0,0,52.76423752,-5.862693058,-2.976444168,-17.36113622,14.60343544,-43.38392863,31.65854251,0,0,0.005558437,-6.18E-04,-3.14E-04,-0.001828905,0.001538396,-0.004570271,0.003335062,0,0,0.235880692,-0.026208966,-0.01330609,-0.077612357,0.065284151,-0.193946347,0.141528415,0,0,1.281307661,-0.142367518,-0.072278894,-0.421591553,0.354624545,-1.053519633,0.768784597,0,0,0.640625,-0.005671296,0.011351496,-0.094590054,0.109480219,-0.808449074,0.210069444,0,0,-0.150114029,-0.248743674,-0.039819725,0.152106632,-0.87620122,0.803291596,0,0,-0.111111111,-0.056410256,-0.329032258,0.276767677,-0.822222222,0.6,0,0,-0.111111111,-0.056410256,-0.329032258,0.276767677,-0.822222222,0.6,0,0,-0.111111111,-0.056410256,-0.329032258,0.276767677,-0.822222222,0.6,0,0,-0.111111111,-0.056410256,-0.329032258,0.276767677,-0.822222222,0.6,0,0,-0.111111111,-0.056410256,-0.329032258,0.276767677,-0.822222222,0.6,0,0,-0.008852755,0.017719408,-0.147652767,0.170895951,-1.261969286,0.327913279,0,0,1.101377145,0.897371575,0.760036449,0.683178054,2.908512493,1.310843955,0,0,1.333333333,1.076923077,1.290322581,0.484848485,1.777777778,0,0,0,1.333333333,1.076923077,1.290322581,0.484848485,1.777777778,0,0,0,1.333333333,1.076923077,1.290322581,0.484848485,1.777777778,0,0,0,1.333333333,1.076923077,1.290322581,0.484848485,1.777777778,0,0,0,1.333333333,1.076923077,1.290322581,0.484848485,1.777777778,0,0,0,0.964769648,0.506566604,0.93495935,0.678738606,4.552845528,0,0,0,19.64849059,9.824245295,15.53145004,19.64849059,3.274748432,9.824393749,3.55E-15,0.046825054,0.007804176,-1.83680213,17.00872749,2.834787916,1.700235957,19.64849059,9.824245295,15.53145004,19.64849059,3.274748432,9.824393749,3.55E-15,0.046825054,0.007804176,-1.83680213,17.00872749,2.834787916,1.700235957,19.64849059,9.824245295,15.53145004,19.64849059,3.274748432,9.824393749,3.55E-15,0.046825054,0.007804176,-1.83680213,17.00872749,2.834787916,1.700235957,19.64849059,9.824245295,15.53145004,19.64849059,3.274748432,9.824393749,3.55E-15,0.046825054,0.007804176,-1.83680213,17.00872749,2.834787916,1.700235957,19.64849059,9.824245295,15.53145004,19.64849059,3.274748432,9.824393749,3.55E-15,0.046825054,0.007804176,-1.83680213,17.00872749,2.834787916,1.700235957,19.64849059,9.824245295,15.53145004,19.64849059,3.274748432,9.824393749,3.55E-15,0.046825054,0.007804176,-1.83680213,17.00872749,2.834787916,1.700235957,36.49963306,17.73302558,28.78100174,36.22802812,6.038004687,17.73302563,-0.814814815,0.12303827,0.020506378,-1.257155902,14.07418076,2.345696794,1.58660518,0,11.69,12.31002606,-0.42285067,0.197336575,4.323730425,7.198629644,5,15,14,14,4,0,0,1,0,1,10.93207,3.497540078,3.01814463,2.333552793,2.034921144,1.023904231,0.309000579,0.083923071,0.083923071,1.861568126,1.417733911,1.249629723,0.880683858,0.387832486,0.083923071,0.083923071,0.083923071,3.519327466,3.04342438,2.405454588,2.099055063,1.141013959,0.44366576,0.270913902,0.270913902,1.80376187,1.355185052,1.134540686,0.772792774,0.231091325,0.270913902,0.270913902,0.270913902,3.620445137,3.156865262,2.704236987,2.371499709,1.609905187,0.956385785,0.943918427,0.943918427,1.641606742,1.180027673,0.76031856,0.423417928,0.305624972,0.943918427,0.943918427,0.943918427,3.535672755,3.062160821,2.457539916,2.145914642,1.224938352,0.538737657,0.399277246,0.399277246,1.767574606,1.316183035,1.058262671,0.701341436,0.125216168,0.399277246,0.399277246,0.399277246,3.67259129,3.213720564,2.838982085,2.496512312,1.81098658,1.207644823,1.207644823,1.207644823,1.59403562,1.12773369,0.631337262,0.304310695,0.501590355,1.161258196,1.207644823,1.207644823,3.650524763,3.137105029,2.421603847,2.14327559,1.162321662,0.618458619,0.45,0.45,1.91089097,1.221084426,1.071603847,0.530673805,0.149036462,0.45,0.45,0.45,1,1,0,0,0,2,1,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.288675135,0,0.204124145,0.11785113,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.36180732,2.205177354,1.802095141,0.526099421,0.23570226,0,0,0,0.726967887,0.441035471,0.360419028,0.175366474,0.11785113,0,0,0,8.709139019,15.43918427,14.62745098,14.8,9.992772455,121.8839701,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,1.74529,27.643,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,1,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,2,0,1,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.573194444,0,0,7.546574074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.573194444,0,0,0,0,1.169861111,0.380555556,0,0,0,0,0,0,0,0,0,0,4.221944444,0,0.902777778,4.979444444,0,0,0.662037037,0,2.56712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.573194444,0,0,2.56712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.573194444,0,0,0,0,0.25125,0.380555556,0,0,0,0,0,0,0,0,0,0,2.110972222,0,0.902777778,4.979444444,0,0,0.662037037,0,2.56712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.573194444,0,0,4.979444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.573194444,0,0,0,0,0.380555556,0.380555556,0,0,0,0,0,0,0,0,0,0,2.110972222,0,0.902777778,4.979444444,0,0,0.662037037,0,2.56712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,2.222222222,0.573194444,4.979444444,0.25125,0.662037037,3.4737475,0.671296296,0.979444444,2.537037037,0.671296296,0.979444444,2.537037037,3,0.5,0,0,0.45,0.7,0.42,0.42,0.7,0.03,0.03,0,0,0.71429,0,0,0.5,0.16667,0,4.5,0.75,2.5,0.41667,2,0.33333,-0.5,-0.08333,0,0,4.09911,0.68318,5.69868,1.59958,0.2666,2.0342,0.33903,2.77005,0.73585,0.12264,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,1,0.954434003,2.091917187,2.780639062,2.780639062,2.530639062,1.655639062,15.27094405,33.47067499,44.490225,44.490225,40.490225,26.490225,0.238608501,0.522979297,0.695159766,0.695159766,0.632659766,0.413909766,3.045565997,1.908082813,1.219360938,1.219360938,1.469360938,2.344360938,0.233502796,0.511788674,0.680284854,0.680284854,0.619122218,0.405052994,6.794779896,17.22252709,17.91663823,17.91663823,14.91663823,8.538703846,23.34095565,14.95225468,14.93383437,14.93383437,13.43383437,9.683834373,6,3.2,5.333333333,6,2,5,2.12,0.868,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.085,0.124,0.116,0.197,0.169,2.052,5,3,2,0,0,0,0,0,0,21,2.079441542,2.079441542,1.791759469,1.945910149,0,0,0,0,0,0,3.465735903,1.476190476,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,3,0.6,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,107.0594491,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,82.07825032,5.129890645,10.67917749,1.779862916,0,0,0,32,3,2.558,20,1.223866667,2.140575665,2.961825941,3.554686153,4.741193807,5.532706822,0,0,0,0,78.70217119,84.43967998,71.46778123,51.09951231,51.89816565,5.621584225,0,0,0,0,289.6867102,353.9361094,382.6826298,289.6969322,502.4760662,171.9772449,0,0,0,0,8.915454676,15.24418693,20.94100632,24.46387148,33.54798692,37.17129161,0,0,0,0,2.172696703,2.865619215,3.380360275,2.806975336,4.947574327,2.459912852,0,0,0,0,174.6745342,330.6658957,467.1015941,612.8921019,741.7618932,1023.095155,0,0,0,0,3.422677778,4.350993529,6.358898161,6.760310194,15.143647,5.532706822,0,0,0,0,0.4496245,0.602174762,0.720496131,0.610540987,1.069602956,0.566549179,0,0,0,0,317.4992692,122.3116179,11.14947091,154.7588138,-59.61840777,-11.6310209,162.7404554,181.9300257,22.78049181,0.672300339,0.25899317,0.023608851,0.327699661,-0.126241159,-0.024628527,149.9415963,57.76265019,5.26542776,73.08610076,-28.15527497,-5.492843635,0.320116043,0.31056577,9.616843432,12.84344017,472.2580831,0,1,0,350.9132128,18.73267767,7.053422632,448.1966975,21.17065652,7.652844415,520.6605181,22.81798672,8.0448549,1.629441974,1.615509492,280.9804857,236.688441,67.00383368,1.187132267,4.193498644,3.532461175,3.549479428,3.772,6.524719861,0.72977727,2.966134429,3.759779054,1.9328391,8.640649339,2.500600486,3.871684683,2.266497337,4.807023719,1.120459874,2.449234454,1.014218265,1.881471677,3.09E-10,9.82E-42,6.01E-95,7.09E-170,1.61E-266,0,0,0,0,0,0,0,0,0,0,0,0,0,0.259160954,3.759607105,0.127996529,3.974578645,0.333238063,1.228998946,0.062478333,0.265179548,0.628050104,0.169915975,0.080280517,0.013251359,2.18E-12,6.92E-44,4.23E-97,4.99E-172,1.14E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0.811711951,3.759618956,0.435732487,4.651193541,0.520717091,1.611957745,0.27075464,0.947122585,0.728561436,0.571987961,0.262341737,0.138089376,2.27E-11,7.21E-43,4.41E-96,5.20E-171,1.18E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,2.800415452,3.759760303,1.800884581,8.257416456,2.27773179,3.654547559,2.046094919,4.442251381,1.090314901,2.28734327,0.954009578,1.676357391,2.76E-10,8.75E-42,5.35E-95,6.32E-170,1.44E-266,0,0,0,0,0,0,0,0,0,0,0,0,0,1.191020888,3.759633993,0.664998017,5.197567976,0.725108327,1.921306047,0.485469091,1.488043485,0.797559314,0.86675886,0.389867266,0.299948577,4.93E-11,1.57E-42,9.58E-96,1.13E-170,2.57E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,3.579717208,3.759857818,2.445777316,10.17038227,3.428180474,4.738495798,3.179597542,6.25607997,1.232073141,3.074024726,1.240588457,2.743949617,4.51E-10,1.43E-41,8.76E-95,1.03E-169,2.35E-266,0,0,0,0,0,0,0,0,0,0,0,0,0,1.305420662,2.103043333,0.653003787,4.121818278,0.918635278,2.422718168,0.614769461,1.560243317,1.379753709,1.702324001,0.398021034,0.380998015,6.27E-11,1.99E-42,1.22E-95,1.44E-170,3.27E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,3.147499837,1.247709653,0.496234566,0.643470476,0.255080021,0.344475535,0.44263871,0.346079189,4.891444055,6.1082208,12.94846033,0.465205715,1.133193435,2.892231814,0.681771935,0.138867257,0.778974494,0.183623922,0.298985902,0.135525445,0.027352041,3.712871007,2.46815458,6.454849945,0.668461741,0.461863388,2.984029884,0.897892567,0.27291534,0.718206109,0.216107731,0.314244406,0.233130332,0.105310239,4.154837791,3.738774438,8.62484474,0.577309164,0.652684977,3.140093019,1.232842634,0.486546866,0.646178478,0.253698337,0.342995935,0.432495981,0.332791267,4.859482519,5.998878685,12.74190116,0.469267717,1.108283184,3.028675214,0.997932272,0.335880143,0.694254167,0.228753032,0.322050842,0.286706142,0.159251972,4.362487629,4.374870235,9.752526286,0.54138125,0.768008956,3.171130416,1.294518361,0.526869364,0.635176544,0.259291669,0.349278694,0.475267791,0.389780212,4.99251814,6.457900077,13.61326255,0.452764815,1.214326697,3.197545852,1.225545915,0.483661433,0.651662254,0.249767181,0.355679933,0.427703564,0.327963049,4.906753201,6.05801816,12.86011441,0.477493382,1.111346546 +UMLMON0266,L,4-methyl-1-pentyne,CC(C)CC#C,138948,,UML,[1],C6H10,PubChem,,72.9,0,-1.1836,1.40090896,32.1631,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,1864.442842,2079.488723,1145.330596,551.162642,141.39216,12.192768,0,4371.159516,5876.91121,8447.051418,10013.35716,7830.409782,4279.977653,1769.041052,373.0049332,0,188.796996,195.98202,384.589288,568.40654,578.484112,438.810824,205.5456,80.621568,0,33.10313229,45.14389758,70.19563559,87.22019674,75.71300131,45.18456539,20.0277012,5.335354858,0,4469.666941,3897.355064,8323.286703,13130.75959,13716.68734,11146.17126,5229.578518,2219.011824,0,39.52777778,48.58333333,83.41666667,114.0833333,112.8333333,79,37,12,0,48.76541633,56.15943233,34.5267193,25.67270028,13.79916381,8.611916281,4.713072,1.016064,0,161.8947969,217.6633782,156.4268781,123.6216934,94.34228653,66.87465083,58.96803508,31.08374443,0,6.992481333,7.258593333,7.122023852,7.017364691,6.969688096,6.856419125,6.85152,6.718464,0,1.226041937,1.671996207,1.299919178,1.076792552,0.912204835,0.706008834,0.66759004,0.444612905,0,165.54322,144.3464838,154.134939,162.1081431,165.2612933,174.1589259,174.3192839,184.917652,0,1.46399177,1.799382716,1.544753086,1.408436214,1.359437751,1.234375,1.233333333,1,0,0.037046379,-0.001666059,-0.013685665,0.001564822,-0.022443639,0.011723318,-0.001278013,0.007262046,0,726.396054,7.46E-13,-242.132018,1.07E-14,-497.7158148,215.2284604,-5.01E-13,161.4213453,0,1350.764481,-5.26E-13,-450.2548269,-6.75E-13,-925.5238108,400.2265128,6.39E-14,300.1698846,0,0.142296,2.03E-15,-0.047432,7.07E-16,-0.097499111,0.042161778,-1.12E-15,0.031621333,0,6.038545709,1.65E-14,-2.01284857,5.77E-15,-4.13752206,1.789198729,-9.33E-15,1.341899046,0,32.80147613,-2.00E-13,-10.93382538,-5.77E-14,-22.4750855,9.718955891,1.11E-13,7.289216918,0,1.995884774,-0.345679012,-0.686213992,0.308641975,-0.912246609,0.544734034,-0.291723823,0.384545039,0,0.001372088,-6.17E-05,-2.53E-04,1.93E-05,-2.70E-04,1.83E-04,-4.26E-05,6.05E-04,0,26.90355756,2.76E-14,-4.483926259,1.32E-16,-5.996576082,3.362944694,-1.67E-14,13.45177878,0,50.0283141,-1.95E-14,-8.33805235,-8.33E-15,-11.15088929,6.253539262,2.13E-15,25.01415705,0,0.005270222,7.54E-17,-8.78E-04,8.73E-18,-0.001174688,6.59E-04,-3.75E-17,0.002635111,0,0.223649841,6.11E-16,-0.037274974,7.13E-17,-0.049849663,0.02795623,-3.11E-16,0.111824921,0,1.214869486,-7.40E-15,-0.202478248,-7.13E-16,-0.270784163,0.151858686,3.70E-15,0.607434743,0,0.073921658,-0.012802926,-0.012707667,0.003810395,-0.010990923,0.008511469,-0.009724127,0.03204542,0,-0.044972247,-0.184709879,0.014079849,-0.197075744,0.133502242,-0.031047893,0.441058034,0,1.03E-15,-0.166666667,4.89E-18,-0.222891566,0.125,-6.21E-16,0.5,0,-3.89E-16,-0.166666667,-1.67E-16,-0.222891566,0.125,4.26E-17,0.5,0,1.43E-14,-0.166666667,1.66E-15,-0.222891566,0.125,-7.12E-15,0.5,0,2.73E-15,-0.166666667,3.19E-16,-0.222891566,0.125,-1.39E-15,0.5,0,-6.09E-15,-0.166666667,-5.87E-16,-0.222891566,0.125,3.05E-15,0.5,0,-0.173195876,-0.171907216,0.051546392,-0.148683393,0.115141753,-0.131546392,0.433505155,0,1.490461491,1.333300154,0.97233124,1.140099192,0.648323793,0.794290248,0.00423649,0,1.444444444,1.364197531,1.016460905,1.148594378,0.609375,0.722222222,0,0,1.444444444,1.364197531,1.016460905,1.148594378,0.609375,0.722222222,0,0,1.444444444,1.364197531,1.016460905,1.148594378,0.609375,0.722222222,0,0,1.444444444,1.364197531,1.016460905,1.148594378,0.609375,0.722222222,0,0,1.444444444,1.364197531,1.016460905,1.148594378,0.609375,0.722222222,0,0,1.675257732,1.165979381,0.790721649,1.094286424,0.814175258,1.194123711,0,0,40.03575902,20.01787951,29.35871161,40.03575902,4.448417669,20.01787952,1.07E-14,0.072925189,0.008102799,-2.356489048,61.75005595,6.861117327,3.710785393,40.03575902,20.01787951,29.35871161,40.03575902,4.448417669,20.01787952,1.07E-14,0.072925189,0.008102799,-2.356489048,61.75005595,6.861117327,3.710785393,40.03575902,20.01787951,29.35871161,40.03575902,4.448417669,20.01787952,1.07E-14,0.072925189,0.008102799,-2.356489048,61.75005595,6.861117327,3.710785393,40.03575902,20.01787951,29.35871161,40.03575902,4.448417669,20.01787952,1.07E-14,0.072925189,0.008102799,-2.356489048,61.75005595,6.861117327,3.710785393,40.03575902,20.01787951,29.35871161,40.03575902,4.448417669,20.01787952,1.07E-14,0.072925189,0.008102799,-2.356489048,61.75005595,6.861117327,3.710785393,40.03575902,20.01787951,29.35871161,40.03575902,4.448417669,20.01787952,1.07E-14,0.072925189,0.008102799,-2.356489048,61.75005595,6.861117327,3.710785393,43.24183702,21.57385061,31.83014589,43.16862029,4.796513365,21.57385061,-0.094135802,0.071216789,0.007912977,-2.377824017,69.37074664,7.707860738,3.815518734,0,11.9,12.1001487,-0.151273848,0.048890527,5.574370918,8.802755905,9,27,27,27,9,0,0,0,0,0,19.677726,3.6320542,3.180052,2.945817421,2.688292988,1.846554402,1.753131121,1.454441211,1.122946561,1.911135794,1.840961226,1.543910725,1.114249919,1.067236047,0.782564957,0.614914746,0.537556093,3.656793375,3.214350671,2.984115995,2.736875171,1.925089082,1.834262961,1.554720787,1.247019953,1.854857384,1.778043787,1.457618021,1.008390927,0.959098218,0.645765743,0.466222489,0.382916975,3.765439631,3.365834016,3.152527083,2.94650103,2.256996727,2.176961494,1.962840072,1.732917972,1.690885851,1.590937281,1.192279105,0.678084935,0.620118197,0.189764285,0.038370948,0.147306397,3.675008576,3.239671371,3.012359315,2.772499986,1.982400312,1.893471859,1.626944234,1.335136272,1.819160685,1.737796762,1.40161831,0.939236481,0.888335115,0.554236562,0.366102466,0.278427117,3.818331556,3.43964669,3.233982116,3.045361043,2.40808527,2.332680125,2.141467679,1.937675008,1.640220899,1.531967921,1.106298777,0.57007717,0.508671823,0.028532376,0.22064231,0.341437958,3.687609251,3.327737477,3.054771471,2.890885982,2.121358515,2.00621237,1.771267315,1.507625443,1.783493509,1.683057155,1.240902387,0.824748214,0.751385936,0.366162443,0.181285843,0.084794985,0,0,0,0,0,1,7,1,0,0,0,0,0,0,0,0,0,0,0,0.204124145,0,0,0,0.204124145,0,0,0,0.49279928,0.594861352,0.49279928,0.49279928,0.594861352,0.49279928,6.527097737,4.431851653,3.265837526,2.552095141,1.772164652,1.230171716,0.853643198,0.24639964,0.725233082,0.492427961,0.326583753,0.232008649,0.161105877,0.111833792,0.077603927,0.06159991,6.527097737,4.431851653,3.265837526,2.552095141,1.772164652,1.230171716,0.853643198,0.24639964,0.725233082,0.492427961,0.326583753,0.232008649,0.161105877,0.111833792,0.077603927,0.06159991,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.3668,41.483,41.85640779,57.06077867,83.71281557,9.301423952,41.85640779,0.10183034,0.011314482,-2.056002465,46.58315851,5.175906501,3.457115163,70,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,1,0,7,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,2.329351852,0,10.42759259,0,0,0,1.076388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.329351852,0,1.416666667,0,0,0,1.076388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.329351852,0,1.510416667,0,0,0,1.076388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.83333333,1.537037037,0.2,2.329351852,0.2,1.076388889,6.489844907,0.256944444,0.329351852,0.70037037,0.256944444,0.329351852,0.70037037,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.11111,0.11111,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,9.6754,1.07504,9.6754,0,0,4.43185,0.49243,4.43185,0,0,-0.01785,-0.00198,0.06815,0.00757,0.259259259,9,0,0,0,0,0,0,1,0.918295834,1.247104744,2.100535766,2.72788543,3.013422687,2.71342767,24.79398752,33.67182808,56.71446567,73.65290661,81.36241255,73.26254708,0.193126721,0.262278496,0.441763504,0.573701361,0.633752678,0.57066075,3.836591668,3.507782759,2.654351736,2.027002072,1.741464815,2.041459833,0.193126721,0.262278496,0.441763504,0.573701361,0.633752678,0.57066075,6.73287657,10.67858349,13.9984336,16.60714763,16.08068405,13.80188622,35.54887502,30.33929922,27.07853553,23.3010205,23.74391714,27.98260783,7.111111111,3.92,2.380165289,2,0,2,2.45,1.2681,0,2.172975479,0.5,0,10.12736582,4.195358823,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,4.393,10,11,11,11,11,4,2,0,0,78,2.302585093,2.397895273,2.48490665,2.48490665,2.48490665,2.48490665,1.609437912,1.098612289,0,0,4.369447852,1,0.4,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,2,0.222222222,1,3,5,0.666666667,1,0.444444444,0.25,0.125,0.08,0,0,0,0,0,0.111111111,0.044444444,0.022727273,0.03125,0.04,0,0,0,0,0,0.249532828,20.01787951,29.35871161,40.03575902,4.448417669,20.01787952,0.072925189,0.008102799,-2.356489048,61.75005595,6.861117327,3.710785393,0,151.8638616,4.169925001,3.663561646,4.394449155,5.141663557,5.888877958,6.642486801,7.393263095,8.14815644,8.899867211,9.654962089,77.82728795,2.944438979,0,4.077537444,0,5.379897354,2.708050201,6.755768922,4.976733742,8.168769824,8.485908901,126.1408506,4.671883355,17.75679668,1.972977408,0,0,0,88,11,5.06,38,1.239923458,2.134638213,2.838905566,3.473155264,4.156107709,5.285872242,5.706829951,0,0,0,80.81594928,81.15742377,77.92795429,54.63561282,41.80171367,25.19097758,5.798504468,0,0,0,296.0135696,354.6884235,366.5364126,347.1956451,304.4872129,313.7964056,177.3896437,0,0,0,9.035882745,15.24792874,19.96169852,24.25255767,28.59402743,36.22627477,38.34113158,0,0,0,2.21490861,2.90006292,3.155621468,3.288552742,3.124881649,3.545579592,2.537330242,0,0,0,176.7508146,325.8182703,457.258808,570.6662946,716.2171115,920.631704,1055.293595,0,0,0,2.288780661,3.365766567,4.059316283,4.79313869,5.301451564,6.543780972,5.706829951,0,0,0,0.458161945,0.610019598,0.670928644,0.709762561,0.684793433,0.787171133,0.584379387,0,0,0,332.8925824,156.2074134,8.569506239,48.65106381,-22.82915643,-2.887817541,284.2415185,179.0365698,11.45732378,0.872488864,0.409409028,0.022460094,0.127511136,-0.05983367,-0.007568774,127.0130497,59.59994607,3.269640656,18.56250427,-8.710319583,-1.101828434,0.06366113,0.138371259,0.723873701,3.79893764,381.5436462,0,1,0,582.7375713,24.13995798,8.352651082,757.1042208,27.5155269,9.114200029,1048.505369,32.38063263,10.15913862,1.385302312,1.195214167,510.574552,421.2097521,164.0974313,1.212162229,3.111410994,2.566827212,4.042362426,4.023895588,7.051173523,0.752325171,5.541779374,8.017090882,9.545741231,16.80912109,13.89260838,17.9879418,11.62378617,11.78565732,3.886288397,6.686737357,2.998275559,1.334705545,0.943267688,1.78E-09,7.97E-40,6.88E-92,1.14E-165,3.67E-261,0,0,0,0,0,0,0,0,0,0,0,0,0.424984908,7.089395832,0.700953993,6.508565861,1.623831925,1.872022576,0.82072114,1.082454814,0.139766078,0.420835535,0.101310773,0.009669673,0.006643511,1.26E-11,5.62E-42,4.84E-94,8.05E-168,2.58E-263,0,0,0,0,0,0,0,0,0,0,0,0,1.39832493,7.151387143,2.327887597,7.92575998,2.86549847,3.945292998,2.29927891,2.22848557,0.573912529,1.111860189,0.426089518,0.098651547,0.069230512,1.31E-10,5.85E-41,5.05E-93,8.39E-167,2.69E-262,0,0,0,0,0,0,0,0,0,0,0,0,5.203377648,7.915238406,8.941130785,15.9360677,12.69483812,16.57103871,10.705391,10.76294983,3.539974142,6.09513567,2.726627642,1.189383994,0.840434528,1.59E-09,7.11E-40,6.13E-92,1.02E-165,3.27E-261,0,0,0,0,0,0,0,0,0,0,0,0,2.087605426,7.231761329,3.497719742,9.102119499,4.092771229,5.729682375,3.529998549,3.32361754,0.970102033,1.760810234,0.728185206,0.213621822,0.150377922,2.84E-10,1.27E-40,1.10E-92,1.82E-166,5.85E-262,0,0,0,0,0,0,0,0,0,0,0,0,6.823290533,8.445366605,11.85603106,20.31694083,18.83458928,23.72266733,15.31603889,15.98951187,5.301327645,9.113349203,4.111133606,1.945664436,1.375667273,2.60E-09,1.16E-39,1.00E-91,1.67E-165,5.35E-261,0,0,0,0,0,0,0,0,0,0,0,0,3.565635099,7.175247875,5.762592654,11.77247776,7.172591171,10.28228822,6.314736417,6.177698098,1.954373197,3.619147801,1.693397748,0.56570001,0.399269644,7.55E-10,3.38E-40,2.91E-92,4.84E-166,1.55E-261,0,0,0,0,0,0,0,0,0,0,0,0,3.795297849,1.500920126,0.769039081,0.62574394,0.247461915,0.502802156,0.460931521,0.49382825,6.065257056,9.769437531,20.21547874,0.43861591,1.457561927,3.04656782,1.004896698,0.296775645,0.700643871,0.231104231,0.325096623,0.206880247,0.07298423,4.348240163,4.263861937,9.520676564,0.550965807,0.6049611,3.343590735,1.202069068,0.484523738,0.664705514,0.238971214,0.390940688,0.295944549,0.195288793,5.03018354,6.221707076,13.19930151,0.497058271,0.88217403,3.776728296,1.488655945,0.757364314,0.627077199,0.247172189,0.49792397,0.453452907,0.478894672,6.022748556,9.610063157,19.89090249,0.440615799,1.430271549,3.476140491,1.289882452,0.568130829,0.651676093,0.241815761,0.422296455,0.340684113,0.268859847,5.334153772,7.191537187,15.07308314,0.47751414,1.031840415,3.853443873,1.539311321,0.805584628,0.621689676,0.248342518,0.518232325,0.48473264,0.542057292,6.198339822,10.27597047,21.25275617,0.432534513,1.545022257,3.790701768,1.490632329,0.759929477,0.627468363,0.246741813,0.501556944,0.454592167,0.482221668,6.041263574,9.663984064,19.99926153,0.441202545,1.438370779 +UMLMON0267,L,ethylcycloheptane,CCC1CCCCCC1,139398,,UML,[1],C9H18,PubChem,,30,0,0.3744,0.14017536,34.8526,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1432.661672,1509.368456,1154.298941,371.512512,39.626496,0,0,3885.475125,4800.404174,6285.345707,7098.100383,6671.388098,4207.30508,1212.266033,0,0,167.819552,166.665724,297.5336,367.113248,420.789812,414.284544,262.020096,0,0,29.42500648,37.33900896,52.14452968,60.60424716,61.14187754,45.40685364,17.33990329,0,0,3973.037281,3337.521256,6602.062723,8260.468617,9723.409095,10204.7962,7211.788429,0,0,46.05555556,51.88888889,72.58333333,93,107,94,39,0,0,48.76541633,52.3287937,34.11099219,29.02631646,19.23831568,6.1918752,1.016064,0,0,161.8947969,208.713225,149.6510883,136.5019304,111.1898016,70.12175134,31.08374443,0,0,6.992481333,7.246335826,7.084133333,7.059870154,7.013163533,6.9047424,6.718464,0,0,1.226041937,1.623435172,1.241536421,1.165466291,1.019031292,0.756780894,0.444612905,0,0,165.54322,145.1096198,157.1919696,158.8551657,162.0568183,170.0799367,184.917652,0,0,1.918981481,2.256038647,1.728174603,1.788461538,1.783333333,1.566666667,1,0,0,0.046590245,-0.008149964,-0.006769293,-0.001071152,-0.012687999,-0.02547831,0.030861596,0,0,645.6853813,-53.80711511,3.52E-13,-107.6142302,-363.198027,-322.8426907,524.6193723,0,0,1200.679538,-100.0566282,8.53E-14,-200.1132564,-675.3822403,-600.3397692,975.5521249,0,0,0.126485333,-0.010540444,1.84E-15,-0.021080889,-0.071148,-0.063242667,0.102769333,0,0,5.367596186,-0.447299682,7.52E-15,-0.894599364,-3.019272855,-2.683798093,4.361171901,0,0,29.15686767,-2.429738973,-7.31E-14,-4.859477945,-16.40073807,-14.57843384,23.68995498,0,0,6.013888889,-1.876736111,0.572916667,-0.645833333,0.4375,-4.8125,3.317708333,0,0,0.00194126,-3.54E-04,-1.61E-04,-2.06E-05,-2.11E-04,-4.25E-04,7.91E-04,0,0,26.90355756,-2.339439787,8.37E-15,-2.069504427,-6.05330045,-5.380711511,13.45177878,0,0,50.0283141,-4.350288182,2.03E-15,-3.848331854,-11.25637067,-10.00566282,25.01415705,0,0,0.005270222,-4.58E-04,4.39E-17,-4.05E-04,-0.0011858,-0.001054044,0.002635111,0,0,0.223649841,-0.019447812,1.79E-16,-0.017203834,-0.050321214,-0.044729968,0.111824921,0,0,1.214869486,-0.105640825,-1.74E-15,-0.093451499,-0.273345634,-0.242973897,0.607434743,0,0,0.250578704,-0.081597222,0.013640873,-0.012419872,0.007291667,-0.080208333,0.085069444,0,0,-0.182534134,-0.08302527,-0.010611191,-0.108932666,-0.218743732,0.407633647,0,0,-0.086956522,3.11E-16,-0.076923077,-0.225,-0.2,0.5,0,0,-0.086956522,4.06E-17,-0.076923077,-0.225,-0.2,0.5,0,0,-0.086956522,8.33E-15,-0.076923077,-0.225,-0.2,0.5,0,0,-0.086956522,8.01E-16,-0.076923077,-0.225,-0.2,0.5,0,0,-0.086956522,-1.43E-15,-0.076923077,-0.225,-0.2,0.5,0,0,-0.325635104,0.054437479,-0.049564754,0.029099307,-0.320092379,0.339491917,0,0,1.515938958,1.069443827,1.010658132,1.213486055,1.133671025,0.07264399,0,0,1.5,1.129464286,1.161057692,1.221875,1.00625,0,0,0,1.5,1.129464286,1.161057692,1.221875,1.00625,0,0,0,1.5,1.129464286,1.161057692,1.221875,1.00625,0,0,0,1.5,1.129464286,1.161057692,1.221875,1.00625,0,0,0,1.5,1.129464286,1.161057692,1.221875,1.00625,0,0,0,1.718244804,0.650060486,1.129774383,1.041108545,1.466050808,0,0,0,33.05449736,16.52724868,22.8810016,33.05449736,4.131812169,16.52724889,1.42E-14,0.121401371,0.015175171,-1.686922486,48.02880367,6.003600459,3.097440726,33.05449736,16.52724868,22.8810016,33.05449736,4.131812169,16.52724889,1.42E-14,0.121401371,0.015175171,-1.686922486,48.02880367,6.003600459,3.097440726,33.05449736,16.52724868,22.8810016,33.05449736,4.131812169,16.52724889,1.42E-14,0.121401371,0.015175171,-1.686922486,48.02880367,6.003600459,3.097440726,33.05449736,16.52724868,22.8810016,33.05449736,4.131812169,16.52724889,1.42E-14,0.121401371,0.015175171,-1.686922486,48.02880367,6.003600459,3.097440726,33.05449736,16.52724868,22.8810016,33.05449736,4.131812169,16.52724889,1.42E-14,0.121401371,0.015175171,-1.686922486,48.02880367,6.003600459,3.097440726,33.05449736,16.52724868,22.8810016,33.05449736,4.131812169,16.52724889,1.42E-14,0.121401371,0.015175171,-1.686922486,48.02880367,6.003600459,3.097440726,48.11614185,23.82369593,33.52662945,47.76457935,5.970572419,23.82369593,-0.46875,0.182020676,0.022752585,-1.362907994,82.77704099,10.34713012,3.532920592,0,11.89,12.11011416,-0.171422704,0.051137342,5.64275,9.080253904,7,23,22,22,6,1,1,0,0,1,17.491312,3.603308163,3.057108808,2.902564078,2.24498107,2.112027127,1.598026915,1.134977168,0.375921918,1.931178139,1.591531912,1.563026335,1.137897591,1.015297944,0.769718516,0.432803315,0.083923071,3.623601852,3.093005904,2.950308951,2.314517805,2.180028581,1.695309721,1.244153795,0.498303987,1.879626265,1.514243681,1.473453684,1.025337047,0.898788478,0.630337185,0.281046943,0.270913902,3.715910755,3.252071057,3.155598408,2.6049335,2.469233643,2.090117344,1.685728992,0.960746841,1.734951073,1.283910643,1.195492746,0.659633478,0.524502783,0.162386152,0.233965322,0.943918427,3.638715099,3.119543344,2.985267979,2.364989673,2.229714711,1.765276817,1.32265771,0.584340948,1.847406863,1.464703456,1.415133181,0.950740728,0.821867161,0.536857124,0.17885705,0.399277246,3.762720882,3.329713173,3.252217518,2.73642415,2.602447469,2.26277616,1.877254159,1.207644823,1.69203995,1.21166462,1.104407163,0.533901573,0.397805575,0.004703131,0.419924739,1.145151261,3.652657715,3.197749148,3.001250795,2.560074253,2.279364415,1.790158961,1.350936348,0.641631894,1.904584594,1.380849693,1.364549028,0.840905842,0.655472535,0.477226729,0.116901776,0.533333333,0,0,1,0,1,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.5,0,0.166666667,0,0.348461713,0,0.102062073,0,1.138071187,1.304737854,0.333333333,0.823749909,0.925811982,0.204124145,6.568914101,3.718744015,2.820593172,1.991563832,1.231484176,0,0,0,0.821114263,0.531249145,0.352574147,0.248945479,0.246296835,0,0,0,6.198670613,3.372938668,2.359772676,1.682521985,0.98559856,0,0,0,0.774833827,0.481848381,0.294971585,0.210315248,0.197119712,0,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,43,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,5,2,0,1,0,0,0,0,0,0,0,0,3,1,2,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.225833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.343194444,0,0,0,1.228333333,0.580555556,0,0.343194444,0,0,0,0,0,0,0,0,6.531111111,3.89712963,2.483796296,0,0,0,0.759259259,0,0,1.328703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.328703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.343194444,0,0,0,0.225625,0.290277778,0,0.343194444,0,0,0,0,0,0,0,0,2.108796296,3.89712963,1.241898148,0,0,0,0.759259259,0,0,1.328703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.89712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.343194444,0,0,0,0.290277778,0.290277778,0,0.343194444,0,0,0,0,0,0,0,0,2.211157407,3.89712963,1.241898148,0,0,0,0.759259259,0,0,1.328703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15,1.875,0.343194444,3.89712963,0.038194444,0.759259259,5.393255,0.574074074,0.89712963,2.856481481,0.574074074,0.89712963,2.856481481,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.5,0.25,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.63369,0.95421,9.08078,1.44709,0.18089,3.19431,0.39929,3.71873,0.52442,0.06555,0.19527,0.02441,0.19527,0.02441,0,7,0,0,0,0,0,0,0.75,0.918295834,2.114005463,3.15726823,3.15726823,2.966228125,2.285401042,22.03910002,50.73613111,75.77443751,75.77443751,71.18947501,54.84962501,0.200284263,0.461073665,0.688613752,0.688613752,0.646947085,0.498455776,3.666666667,2.470957038,1.427694271,1.427694271,1.618734375,2.299561459,0.200284263,0.461073665,0.688613752,0.688613752,0.646947085,0.498455776,6.73287657,17.09808847,18.1495148,18.1495148,15.85703355,9.787054803,31.59900002,18.70284314,18.39172969,18.39172969,17.24548907,12.32324584,8,3.9375,2.8125,8,2,5,2.34,1.1928,1.683693072,3.509530701,4.298279727,0,0.5,2.828427125,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.108,0.104,0.16,3.408,8,8,5,0,0,0,0,0,0,36,2.197224577,2.397895273,2.397895273,2.079441542,0,0,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,2,4,1,2,1.111111111,0.625,0,0,0,0,0,0,0,0.285714286,0.138888889,0.078125,0,0,0,0,0,0,0,0.502728175,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,0,144.287877,4,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,72.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.389132521,112.1252005,4.671883355,14.50113758,1.812642197,0,0,0,67,8,3.954,30,1.226391304,2.124250487,2.933429368,3.596504138,4.202911983,4.40969089,0,0,0,0,74.73814722,82.50602934,93.63826239,72.29033622,25.44077175,4.480528165,0,0,0,0,280.6431588,346.1648809,424.3106121,413.9095176,290.3173171,137.0697047,0,0,0,0,8.920641989,15.11083307,20.7623213,25.27544901,28.99903745,29.6263495,0,0,0,0,2.124868553,2.808577985,3.563533612,3.766216913,3.145512963,1.960605476,0,0,0,0,175.8569114,329.4558446,462.2227339,578.7501682,716.5027008,815.4296856,0,0,0,0,2.827550725,3.82693815,5.394865982,6.547039567,6.475546093,4.40969089,0,0,0,0,0.4404825,0.590494043,0.753847389,0.80713898,0.693026556,0.451552347,0,0,0,0,348.2674059,163.3425204,10.09663722,151.5196027,-71.06491558,-9.194854574,196.7478032,234.407436,19.29149179,0.69683165,0.326824262,0.02020188,0.30316835,-0.142190402,-0.018397546,174.059525,81.63646965,5.046168112,75.727529,-35.51732158,-4.595468863,0.113941547,0.212033715,2.669337,4.581035813,499.7870086,0,1,0,457.3961477,21.38682182,7.704849633,612.8133496,24.75506715,8.493944243,816.1039101,28.56753245,9.345054092,1.472132459,1.184764923,429.2495787,308.0721719,181.2013642,1.39334097,2.3689092,1.700164749,4.019656271,3.477616438,6.42424645,0.847313114,4.716243312,6.435919691,6.243685676,19.94142798,12.27692098,12.15106048,9.102555222,20.40061774,5.698993586,7.178552118,1.107421217,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.388854219,5.866306277,0.447043622,7.98815944,1.931664351,1.171329124,0.89093466,0.868293206,1.082910362,0.089187472,0.007800727,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.259827673,5.904369505,1.493812985,9.608564697,2.865882481,2.810697064,2.305207815,3.348265857,1.578579089,0.626108792,0.081281197,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.446958553,6.373381316,5.840548316,18.91974135,11.22704215,11.26598192,8.507196391,18.67173926,5.258417803,6.422558601,0.986693102,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.861387324,5.953719999,2.252901828,10.96425209,3.856808949,4.114767341,3.35382365,5.498146219,2.051436682,1.264936506,0.176550991,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.718239813,6.698885005,7.791130057,24.05345162,16.63711057,15.66984823,11.41209732,27.40719834,7.509624644,10.34324868,1.615066283,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650851139,4.539674011,3.154776132,11.56416108,5.663119909,5.612243377,4.92073718,8.092424522,2.98871044,2.184818356,0.315003766,0.320486556,2.28E-15,3.14E-51,8.31E-109,4.25E-188,4.19E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.42991038,1.868537532,0.666028599,0.575056398,0.313277708,0.535816398,0.449269895,0.43033875,5.964476511,9.937834114,20.17083215,0.362584598,1.415425042,2.481176112,1.349465352,0.267870782,0.605384579,0.329257367,0.280215114,0.235043531,0.068303899,4.098512246,4.37437812,9.369791711,0.408076869,0.583562544,2.857538441,1.555604765,0.426469479,0.590447754,0.321431665,0.371660699,0.311821282,0.174747344,4.839612685,6.327271299,13.06262629,0.385671631,0.858229325,3.406383676,1.855682924,0.656213892,0.575569826,0.313551027,0.528471787,0.443125143,0.417617469,5.918280493,9.774209227,19.84052799,0.36335474,1.389214398,3.025508009,1.647490759,0.496952885,0.585210116,0.31866657,0.416694037,0.349559644,0.238068016,5.169951654,7.306756708,14.95376827,0.377815175,1.004321696,3.503575794,1.908783996,0.696744118,0.57350077,0.312449096,0.559144743,0.468785676,0.471393442,6.109103908,10.45859925,21.22722781,0.360251155,1.49932386,3.410330438,1.862532552,0.656424962,0.575166945,0.314124152,0.529829118,0.44656755,0.417331277,5.929287952,9.813090341,19.91189214,0.362750418,1.393727945 +UMLMON0268,L,2-methyl-3-ethyl-1-pentene,CCC(CC)C(=C)C,140591,,UML,[1],C8H16,PubChem,,85.3,0,1.9744,3.89825536,39.5836,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1410.479624,1481.090024,1170.384605,399.790944,45.72288,0,0,3885.475125,4800.404174,6118.039963,6744.292173,6652.191376,4561.113291,1398.768499,0,0,167.819552,166.665724,296.735264,326.004128,381.277364,455.393664,302.33088,0,0,29.42500648,37.33900896,50.80666687,56.59870692,59.81206292,49.41239387,20.00758072,0,0,3973.037281,3337.521256,6665.652931,7214.552914,8550.312974,11250.7119,8321.294341,0,0,42.05555556,50.44444444,72.25,81.33333333,94,96,45,0,0,48.76541633,52.3287937,33.58284819,32.19760922,21.67378898,6.057438545,1.016064,0,0,161.8947969,208.713225,145.6676182,146.6150472,123.1887292,69.10777713,31.08374443,0,0,6.992481333,7.246335826,7.065125333,7.087046261,7.060691926,6.899904,6.718464,0,0,1.226041937,1.623435172,1.209682544,1.230406672,1.107630795,0.748672634,0.444612905,0,0,165.54322,145.1096198,158.7060222,156.8381068,158.3391292,170.4653319,184.917652,0,0,1.752314815,2.193236715,1.720238095,1.768115942,1.740740741,1.454545455,1,0,0,0.036260335,0.001253419,-6.87E-04,-0.014287958,-0.020005254,-0.012271418,0.027867752,0,0,645.6853813,-53.80711511,80.71067267,-107.6142302,-524.6193723,-322.8426907,605.330045,0,0,1200.679538,-100.0566282,150.0849423,-200.1132564,-975.5521249,-600.3397692,1125.637067,0,0,0.126485333,-0.010540444,0.015810667,-0.021080889,-0.102769333,-0.063242667,0.11858,0,0,5.367596186,-0.447299682,0.670949523,-0.894599364,-4.361171901,-2.683798093,5.032121424,0,0,29.15686767,-2.429738973,3.644608459,-4.859477945,-23.68995498,-14.57843384,27.33456344,0,0,3.717592593,-1.287229938,0.734953704,-0.643904321,-0.475694444,-3.320601852,3.133680556,0,0,0.001510847,5.45E-05,-1.64E-05,-3.11E-04,-3.70E-04,-1.86E-04,6.19E-04,0,0,26.90355756,-2.339439787,1.921682683,-2.339439787,-9.715173562,-4.891555919,13.45177878,0,0,50.0283141,-4.350288182,3.573451007,-4.350288182,-18.06578009,-9.096057109,25.01415705,0,0,0.005270222,-4.58E-04,3.76E-04,-4.58E-04,-0.001903136,-9.58E-04,0.002635111,0,0,0.223649841,-0.019447812,0.015974989,-0.019447812,-0.080762443,-0.040663607,0.111824921,0,0,1.214869486,-0.105640825,0.086776392,-0.105640825,-0.43870287,-0.220885361,0.607434743,0,0,0.154899691,-0.055966519,0.017498898,-0.01399792,-0.008809156,-0.050312149,0.069637346,0,0,0.036070147,-0.010821872,-0.205585161,-0.245205234,-0.123063776,0.409891434,0,0,-0.086956522,0.071428571,-0.086956522,-0.361111111,-0.181818182,0.5,0,0,-0.086956522,0.071428571,-0.086956522,-0.361111111,-0.181818182,0.5,0,0,-0.086956522,0.071428571,-0.086956522,-0.361111111,-0.181818182,0.5,0,0,-0.086956522,0.071428571,-0.086956522,-0.361111111,-0.181818182,0.5,0,0,-0.086956522,0.071428571,-0.086956522,-0.361111111,-0.181818182,0.5,0,0,-0.361308138,0.112969223,-0.090367643,-0.056870071,-0.32480471,0.449564134,0,0,1.336956115,1.251396152,1.437858396,1.205482717,0.92812889,0.004384695,0,0,1.5,1.026785714,1.21875,1.4375,0.980113636,0,0,0,1.5,1.026785714,1.21875,1.4375,0.980113636,0,0,0,1.5,1.026785714,1.21875,1.4375,0.980113636,0,0,0,1.5,1.026785714,1.21875,1.4375,0.980113636,0,0,0,1.5,1.026785714,1.21875,1.4375,0.980113636,0,0,0,1.853051059,0.769258139,1.064757161,1.097965961,1.406090796,0,0,0,31.22277327,15.61138663,20.84745461,31.22277327,3.902846658,15.61138714,8.88E-15,1.55E-15,1.94E-16,-27.27819459,5000004.229,625000.5287,12.33995945,31.22277327,15.61138663,20.84745461,31.22277327,3.902846658,15.61138714,8.88E-15,1.55E-15,1.94E-16,-27.27819459,5000004.229,625000.5287,12.33995945,31.22277327,15.61138663,20.84745461,31.22277327,3.902846658,15.61138714,8.88E-15,1.55E-15,1.94E-16,-27.27819459,5000004.229,625000.5287,12.33995945,31.22277327,15.61138663,20.84745461,31.22277327,3.902846658,15.61138714,8.88E-15,1.55E-15,1.94E-16,-27.27819459,5000004.229,625000.5287,12.33995945,31.22277327,15.61138663,20.84745461,31.22277327,3.902846658,15.61138714,8.88E-15,1.55E-15,1.94E-16,-27.27819459,5000004.229,625000.5287,12.33995945,31.22277327,15.61138663,20.84745461,31.22277327,3.902846658,15.61138714,8.88E-15,1.55E-15,1.94E-16,-27.27819459,5000004.229,625000.5287,12.33995945,35.71587118,17.79682448,24.20816051,35.62420452,4.453025564,17.79682453,-0.122222222,6.66E-16,8.33E-17,-27.95603288,5000004.123,625000.5153,12.33995944,0,11.89,12.11011416,-0.158799299,0.062983496,5.685188615,8.955004397,7,23,22,22,6,1,1,0,0,1,17.491312,3.636135612,2.961360882,2.902564078,2.333552793,2.093979271,1.598026915,1.211552637,0.083923071,1.926351509,1.57243158,1.563026335,1.249629723,0.982383351,0.769718516,0.170092751,0.083923071,3.652954379,3.003930096,2.950308951,2.405454588,2.160567758,1.695309721,1.299166566,0.270913902,1.87838324,1.487110328,1.473453684,1.134540686,0.867012047,0.630337185,0.071371479,0.270913902,3.731500773,3.190066091,3.155598408,2.704236987,2.443999032,2.090117344,1.644025007,0.943918427,1.748107232,1.226795115,1.195492746,0.76031856,0.498254178,0.162386152,0.295320902,0.943918427,3.665586265,3.035275641,2.985267979,2.457539916,2.209226497,1.765276817,1.361657312,0.399277246,1.8487864,1.431903959,1.415133181,1.058262671,0.79100487,0.536857124,0.00221875,0.399277246,3.772564616,3.279310763,3.252217518,2.838982085,2.574841838,2.26277616,1.78735115,1.207644823,1.710873186,1.143193796,1.104407163,0.631337262,0.373935215,0.004703131,0.436868298,1.207644823,3.645352698,3.100873346,3.040414773,2.591598066,2.290463372,1.821430172,1.406903333,0.558139535,1.85501989,1.34466839,1.343277852,0.917179462,0.693138292,0.447409113,0.052494448,0.558139535,0,0,0,0,2,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0.5,0,0.166666667,0,0.375,0,0.125,0,1.138071187,1.304737854,0.333333333,0.853553391,0.978553391,0.25,6.568914101,3.718744015,2.820593172,1.991563832,1.231484176,0,0,0,0.821114263,0.531249145,0.352574147,0.248945479,0.246296835,0,0,0,6.414213562,3.371320344,2.310660172,1.560660172,0.957106781,0,0,0,0.801776695,0.481617192,0.288832521,0.195082521,0.191421356,0,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,43,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,4,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.097222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.067361111,1.161111111,0,0,0,0,0,0,0,0,0,0,8.793981481,0,2.44212963,0,0,0,0,0,0,3.097222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.49537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.243402778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.18287037,0,1.221064815,0,0,0,0,0,0,1.49537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.601851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290277778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.21412037,0,1.221064815,0,0,0,0,0,0,1.601851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,1.791666667,0.290277778,2.21412037,0.013888889,1.221064815,4.539398148,0.278935185,0.21412037,1.587962963,0.278935185,0.21412037,1.587962963,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.5,0.25,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,8.06411,1.00801,9.08078,1.01668,0.12708,3.1411,0.39264,3.71873,0.57763,0.0722,0.19527,0.02441,0.19527,0.02441,0,7,0,0,0,0,0,0,0.75,0.918295834,1.584962501,2.709147917,2.709147917,2.518107813,2.028320834,22.03910002,38.03910002,65.01955001,65.01955001,60.43458751,48.67970001,0.200284263,0.345687124,0.590876788,0.590876788,0.549210122,0.442385479,3.666666667,3,1.875814584,1.875814584,2.066854688,2.556641667,0.200284263,0.345687124,0.590876788,0.590876788,0.549210122,0.442385479,6.73287657,14.73287657,16.78187335,16.78187335,14.4893921,8.611948353,31.59900002,20.57945001,20.77067709,20.77067709,19.62443646,14.89323334,8,3.9375,2.8125,8,2,5,2.34,1.1928,1.683693072,3.509530701,4.298279727,0,0.5,2.828427125,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.099,0.064,0.179,0.192,3.66,8,8,5,0,0,0,0,0,0,36,2.197224577,2.564949357,2.708050201,2.302585093,0,0,0,0,0,0,3.951243719,1.416666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,2,4,1,2,1.111111111,0.625,0,0,0,0,0,0,0,0.285714286,0.138888889,0.078125,0,0,0,0,0,0,0,0.502728175,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,0,144.287877,4,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,72.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.389132521,112.1252005,4.671883355,14.50113758,1.812642197,0,0,0,67,8,3.362,30,1.219481556,2.104663604,3.031961722,3.857267085,4.588768948,4.726268024,0,0,0,0,75.37184678,83.87909562,111.4452516,88.67828921,27.00117367,4.802190793,0,0,0,0,281.526436,344.1391568,482.5932869,497.9931398,311.1233263,146.9101074,0,0,0,0,8.873756383,14.95427239,21.56819329,27.32025114,31.63345259,31.75326157,0,0,0,0,2.126268175,2.774782301,3.958529933,4.437070548,3.387536274,2.101359755,0,0,0,0,174.6559621,327.9500652,469.8196115,604.1291318,784.5051167,873.9703858,0,0,0,0,2.765257151,3.82123762,5.554165668,6.903260496,6.602892328,4.726268024,0,0,0,0,0.44057471,0.582944507,0.833658028,0.946520638,0.747033317,0.483969846,0,0,0,0,334.0208068,142.7071564,8.836412608,61.70225416,-26.36169082,-3.554165477,272.3185527,169.0688472,12.39057808,0.844077184,0.360623806,0.022329789,0.155922816,-0.066616514,-0.008981446,132.1797361,56.47251275,3.496772245,24.41700489,-10.43192898,-1.406465242,0.071950725,0.179000218,1.548721587,0.776845536,395.723061,0,1,0,445.9098004,21.11657644,7.639806152,606.4236352,24.62567025,8.464319337,764.1457205,27.64318579,9.142368628,1.24043061,1.24043061,518.9843649,323.5304597,214.7283689,1.604128295,2.416934323,1.506696397,4.302901731,3.590134676,6.877702442,0.915722685,6.664399502,5.688967748,5.512752204,12.56405925,16.73874032,5.173377198,12.92066001,12.34178222,11.31844754,7.078555625,1.252004022,2.35358834,0.224098572,1.52E-17,1.99E-55,5.01E-115,2.44E-196,2.29E-299,0,0,0,0,0,0,0,0,0,0,0,0,0.559297531,5.642901747,0.218567495,2.941857471,3.074780917,0.192190879,3.709679617,0.936841913,0.299710435,0.361958411,0.046242453,0.016576591,0.001578345,1.07E-19,1.40E-57,3.53E-117,1.72E-198,1.61E-301,0,0,0,0,0,0,0,0,0,0,0,0,1.805478999,5.645980119,0.866392749,3.891056177,4.859306267,0.777192157,5.588914671,2.516085004,1.394833434,1.312998638,0.188040754,0.172740263,0.016447567,1.12E-18,1.46E-56,3.68E-116,1.79E-197,1.68E-300,0,0,0,0,0,0,0,0,0,0,0,0,6.290649534,5.683910158,5.035524841,11.61595773,15.54685536,4.715688371,12.35644407,11.37869758,10.23562858,6.518802258,1.14128202,2.09700489,0.199667793,1.35E-17,1.77E-55,4.47E-115,2.17E-196,2.04E-299,0,0,0,0,0,0,0,0,0,0,0,0,2.66094351,5.649971254,1.439620875,4.843995501,6.382607592,1.306977175,6.879224507,3.822504767,2.489258264,2.090552892,0.316356602,0.375214747,0.035726314,2.42E-18,3.17E-56,7.99E-116,3.89E-197,3.65E-300,0,0,0,0,0,0,0,0,0,0,0,0,8.048227406,5.710234199,7.453567912,16.48211227,21.55526925,7.041422452,15.0100682,16.2084052,15.79118704,9.319758313,1.703861909,3.432487152,0.326826706,2.22E-17,2.90E-55,7.31E-115,3.56E-196,3.34E-299,0,0,0,0,0,0,0,0,0,0,0,0,3.921399352,5.231786374,2.289500475,6.165422695,8.72738425,2.131130961,8.363278935,5.794249273,4.415255978,3.453824078,0.541668971,0.733189536,0.069811129,4.73E-18,6.19E-56,1.56E-115,7.60E-197,7.13E-300,0,0,0,0,0,0,0,0,0,0,0,0,3.951973528,2.62955669,0.39843357,0.566188257,0.376729274,0.54902772,0.616780973,0.49963626,6.979963788,13.01424101,24.13470193,0.414376296,1.665444953,2.799287155,1.830912278,0.085895995,0.593560329,0.3882263,0.275461635,0.299020502,0.023221375,4.716095428,5.52296481,10.67929862,0.472679944,0.597703512,3.257096767,2.148107916,0.210025775,0.580046855,0.382550268,0.37293019,0.411602574,0.13883127,5.615230458,8.131827652,15.21652347,0.443895684,0.923364033,3.923436261,2.609784505,0.39069602,0.566649829,0.376923147,0.541127272,0.607540435,0.480418893,6.923916786,12.79182651,23.71620611,0.415359464,1.629086599,3.461161355,2.289495067,0.265355527,0.57532488,0.380566908,0.421123921,0.467568576,0.221614606,6.016011949,9.450280315,17.56905221,0.433837683,1.110307102,4.041316092,2.691458124,0.422657773,0.564789952,0.376141948,0.57413214,0.6461616,0.562237518,7.155431988,13.72269238,25.47538692,0.41139785,1.782531258,3.931641904,2.611092315,0.390817637,0.567045864,0.376587984,0.543393112,0.608149486,0.48071803,6.933551855,12.82289588,23.76853468,0.415450772,1.632260629 +UMLMON0269,L,2-methyl-3-ethyl-2-pentene,CCC(=C(C)C)CC,140592,,UML,[1],C8H16,PubChem,,82,0,1.4802,2.19099204,30.3189,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,924.178589,686.110827,453.118514,154.429632,18.289152,0,0,2914.106344,3494.423905,4233.124071,3907.204221,2814.464344,1656.593096,559.5073998,0,0,125.864664,123.114164,212.050868,238.877292,228.143432,145.87776,120.932352,0,0,22.06875486,27.30703172,35.7627251,35.52832815,27.38797691,17.36404786,8.003032287,0,0,2979.777961,2471.442353,4748.191412,5476.928195,5604.494673,3501.729441,3328.517736,0,0,33.77777778,39.33333333,55,61,49,33,18,0,0,48.76541633,50.97680359,30.80595297,20.17973021,13.73086406,7.353792,1.016064,0,0,161.8947969,205.5543474,141.1041357,114.9177712,85.28679831,78.88538554,31.08374443,0,0,6.992481333,7.242009647,7.068362267,7.025802706,6.913437333,6.94656,6.718464,0,0,1.226041937,1.606295984,1.192090837,1.044950828,0.829938694,0.826859422,0.444612905,0,0,165.54322,145.3789619,158.2730471,161.0861234,169.8331719,166.749021,184.917652,0,0,1.87654321,2.31372549,1.833333333,1.794117647,1.484848485,1.571428571,1,0,0,0.038739543,-0.005318411,-0.006860597,-0.014913254,0.001730692,-0.005514603,0.011506402,0,0,484.264036,-53.80711511,-40.35533633,-228.6802392,40.35533633,-201.7766817,242.132018,0,0,900.5096538,-100.0566282,-75.04247115,-425.2406698,75.04247115,-375.2123557,450.2548269,0,0,0.094864,-0.010540444,-0.007905333,-0.044796889,0.007905333,-0.039526667,0.047432,0,0,4.025697139,-0.447299682,-0.335474762,-1.901023649,0.335474762,-1.677373808,2.01284857,0,0,21.86765075,-2.429738973,-1.822304229,-10.32639063,1.822304229,-9.111521147,10.93382538,0,0,3.530864198,-1.235939643,0.843621399,-1.990397805,0.748971193,-1.711934156,1.580246914,0,0,0.002152197,-3.13E-04,-2.29E-04,-4.39E-04,5.24E-05,-2.63E-04,6.39E-04,0,0,26.90355756,-3.165124418,-1.345177878,-6.725889389,1.22288898,-9.608413413,13.45177878,0,0,50.0283141,-5.885684011,-2.501415705,-12.50707852,2.274014277,-17.86725503,25.01415705,0,0,0.005270222,-6.20E-04,-2.64E-04,-0.001317556,2.40E-04,-0.001882222,0.002635111,0,0,0.223649841,-0.026311746,-0.011182492,-0.05591246,0.010165902,-0.079874943,0.111824921,0,0,1.214869486,-0.142925822,-0.060743474,-0.303717372,0.05522134,-0.433881959,0.607434743,0,0,0.196159122,-0.072702332,0.028120713,-0.058541112,0.022696097,-0.081520674,0.087791495,0,0,-0.145362031,-0.106257271,-0.203803444,0.024368221,-0.122014924,0.297019547,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.370629371,0.143356643,-0.298436857,0.115702479,-0.415584416,0.447552448,0,0,1.427202771,1.144646009,1.403409204,0.873431703,0.847932943,0.002912317,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.762237762,0.82027972,1.384615385,0.68086459,1.375624376,0,0,0,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,23.34439958,11.60275535,17.78940131,23.25180699,3.875301165,11.60277715,-0.138888889,0.120260574,0.020043429,-1.270856665,14.94631712,2.491052853,1.622678954,0,11.89,12.11007471,-0.154954146,0.067228264,5.295743165,7.50302765,5,17,16,16,4,1,1,0,0,1,13.118484,3.517606619,2.973446727,2.333552793,2.144218941,1.212755647,0.714238454,0.083923071,0.083923071,1.876614671,1.562795977,1.249629723,1.006105503,0.454457131,0.242677753,0.083923071,0.083923071,3.540212065,3.013827555,2.405454588,2.210649939,1.314575117,0.85296352,0.270913902,0.270913902,1.821017008,1.479346258,1.134540686,0.896768592,0.306288247,0.074238581,0.270913902,0.270913902,3.642387894,3.191621124,2.704236987,2.48977734,1.731762504,1.391492478,0.943918427,0.943918427,1.66333078,1.226940148,0.76031856,0.542581238,0.191473927,0.513929033,0.943918427,0.943918427,3.557013739,3.043627675,2.457539916,2.258979998,1.388112991,0.95125216,0.399277246,0.399277246,1.786115895,1.425528926,1.058262671,0.824386046,0.206853942,0.040284473,0.399277246,0.399277246,3.693794691,3.277571518,2.838982085,2.616800193,1.915254049,1.615628258,1.207644823,1.207644823,1.616067843,1.146660394,0.631337262,0.421299785,0.368828517,0.734374911,1.207644823,1.207644823,3.556782529,3.083747819,2.546278942,2.343749412,1.420038507,1.048111874,0.529411765,0.529411765,1.788931672,1.355414829,0.958043648,0.730094412,0.145135207,0.155381273,0.529411765,0.529411765,0,0,0,2,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.333333333,0,0,0,0.288675135,0.288675135,0,0.19245009,0.19245009,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.732050808,2.398717474,1.769800359,0.577350269,0.384900179,0,0,0,0.788675135,0.479743495,0.353960072,0.19245009,0.19245009,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,2,0,2,0,0,0,0,0,0,0,0,3,0,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.240740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.632638889,0,0,0.777083333,0.580555556,0,0.632638889,0,0,0,0,0,0,0,0,6.375,0,0,0,4.240740741,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.074074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.243402778,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.041666667,0,0,0,2.074074074,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.328472222,0,0,0.290277778,0.290277778,0,0.328472222,0,0,0,0,0,0,0,0,2.166666667,0,0,0,2.166666667,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.33333333,1.888888889,0.328472222,2.166666667,0.243402778,0.717592593,4.246384259,0.615740741,0.166666667,1.231481481,0.615740741,0.166666667,1.231481481,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.61349,0.76891,5.69868,1.0852,0.18087,2.19337,0.36556,2.77005,0.57668,0.09611,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.99107606,2.821888196,2.821888196,2.521052779,2.006349306,16.52932501,35.83936908,50.79398752,50.79398752,45.37895002,36.11428751,0.220218789,0.477484861,0.676723969,0.676723969,0.604579885,0.481147576,3.251629167,2.178848942,1.348036806,1.348036806,1.648872223,2.163575695,0.220218789,0.477484861,0.676723969,0.676723969,0.604579885,0.481147576,6.73287657,14.84279915,16.90146519,15.68011242,14.051801,8.440120483,23.69925001,16.64860504,15.1849632,16.39047709,13.9585639,10.54227292,6,3.2,5.333333333,6,2,5,2.12,0.911,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,2.48,5,3,2,0,0,0,0,0,0,21,1.945910149,2.079441542,1.945910149,1.609437912,0,0,0,0,0,0,3.401197382,1.380952381,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,109.6959078,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,84.09390038,4.671883355,10.67917749,1.779862916,0,0,0,32,3,3.278,20,1.207787903,2.100361854,2.947982166,3.639062618,4.735669249,5.494141844,0,0,0,0,72.17690586,74.65986587,67.65206521,60.72670214,37.25718223,5.582399738,0,0,0,0,273.0506657,325.3168428,361.4241615,346.3130712,391.9186158,170.7785009,0,0,0,0,8.780754928,14.9137832,20.7605907,25.26095102,32.98414071,36.91219419,0,0,0,0,2.074539246,2.682054333,3.216704496,3.255513208,4.062416973,2.442766365,0,0,0,0,173.4736885,327.5343341,471.4200003,610.350788,782.6961351,1015.96381,0,0,0,0,2.885111109,4.051419395,5.430808908,5.67667453,7.661047392,5.494141844,0,0,0,0,0.430317172,0.565457091,0.686932721,0.703151175,0.887464564,0.562600125,0,0,0,0,290.9934229,107.7280351,8.7208499,76.48312035,-28.31464777,-4.822964846,214.5103026,136.0426829,13.54381475,0.791869381,0.293156222,0.023731719,0.208130619,-0.077051579,-0.013124552,106.9332572,39.58752596,3.204707776,28.10575269,-10.40496889,-1.77232645,0.154365035,0.245231668,2.677258677,4.041195557,367.4765433,0,1,0,330.8262414,18.18862945,6.916185774,451.1290942,21.23979977,7.669498123,493.4639078,22.21404753,7.902268791,1.787213443,1.691654732,328.4409075,281.4143118,70.50675833,1.167108046,4.658289719,3.991309747,3.736027053,3.460969306,6.770815545,0.956335045,4.955501148,3.900248979,1.92771872,11.86144102,5.942648827,5.121935331,2.496637685,6.344842851,6.278591302,1.189870205,3.698592824,7.10E-04,0.005234147,8.09E-24,2.41E-66,1.39E-130,1.54E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,0.415887721,3.894586062,0.157774023,5.04727075,0.618599592,0.348809216,0.546359982,1.013533901,1.154143548,0.080803917,0.096801595,5.00E-06,3.69E-05,5.70E-26,1.70E-68,9.78E-133,1.08E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,1.342519603,3.894964577,0.511953478,5.555828094,1.117056026,1.178818242,0.914619821,1.48014777,1.769417861,0.273399882,0.453231625,5.21E-05,3.84E-04,5.94E-25,1.77E-67,1.02E-131,1.13E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,4.677589267,3.899627278,1.816850817,11.13213263,5.408594881,4.778683736,2.366689006,5.798555392,5.812496605,1.110020848,3.344096636,6.32E-04,0.004663531,7.21E-24,2.15E-66,1.24E-130,1.37E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,1.97862334,3.895455244,0.757195893,6.166927741,1.63390786,1.791435445,1.176276816,1.985035393,2.319678443,0.415643364,0.810375017,1.13E-04,8.34E-04,1.29E-24,3.85E-67,2.21E-131,2.46E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,5.984483754,3.902863122,2.341066163,14.91616433,8.156314233,6.450798384,2.98976251,8.617189065,8.177345849,1.499088296,5.1632763,0.001034886,0.007633511,1.18E-23,3.52E-66,2.02E-130,2.25E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,2.70614284,3.314883459,1.019261694,7.251988758,2.397874285,2.57468769,1.41302939,2.759780656,3.166401717,0.597523324,1.294566571,1.99E-04,0.00146701,2.27E-24,6.77E-67,3.89E-131,4.32E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,4.251481683,1.293617751,0.465455027,0.707336022,0.215224362,0.554061509,0.489191181,0.315764205,6.010554462,8.080786584,16.65124696,0.561004033,1.359016895,3.210578661,0.69903583,0.141872272,0.792444564,0.1725381,0.316077532,0.14177247,0.029179644,4.051486762,2.798975406,7.168867457,0.688666846,0.487029647,3.623970343,0.934362735,0.271231784,0.75037202,0.193467271,0.402646529,0.253827532,0.107130881,4.829564863,4.622467658,10.37045124,0.62555803,0.763604942,4.225709952,1.278830601,0.457512912,0.708767537,0.21449499,0.547367898,0.477960045,0.305090855,5.962053465,7.922365576,16.35680381,0.563151306,1.330418799,3.808245823,1.039663119,0.328477356,0.735695832,0.200847282,0.444609294,0.314729531,0.157239475,5.176386298,5.551721042,12.02864535,0.603543748,0.9165783,4.332166592,1.339926716,0.490304824,0.703000114,0.217435921,0.575280665,0.525223831,0.350334157,6.162398133,8.58584047,17.59435306,0.554500172,1.450838653,4.229389747,1.279435934,0.456834715,0.708955835,0.214466773,0.548331579,0.478392186,0.304134618,5.965660396,7.92785603,16.36555561,0.563433752,1.330858383 +UMLMON0270,L,trans-4-methyl-2-pentene,C/C=C/C(C)C,172092,Sandia values from independent api report ,Sandia,,C6H12,PubChem,,82.6,0,0.8664,0.75064896,38.2621,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1311.595663,1079.624285,824.449924,640.730667,472.25237,160.526016,18.289152,3885.475125,4800.404174,6060.218294,5920.800911,4660.75529,3541.508989,2888.518855,1843.095563,559.5073998,167.819552,166.665724,297.509884,364.647092,353.114896,230.562156,208.786376,186.188544,120.932352,29.42500648,37.33900896,51.13810539,53.57138587,44.09317182,32.40798963,27.39200101,20.03172529,8.003032287,3973.037281,3337.521256,6596.59581,8434.838505,8625.995192,5419.19096,4986.151509,4611.235353,3328.517736,42.27777778,49.66666667,73.33333333,87.25,75.33333333,51.33333333,45,39,18,48.76541633,52.3287937,31.22846817,20.76200548,16.16568478,19.41608082,15.74174567,5.945408,1.016064,161.8947969,208.713225,144.2909118,113.861556,91.38735863,107.3184542,96.28396182,68.26279863,31.08374443,6.992481333,7.246335826,7.083568667,7.012444077,6.92382149,6.986732,6.959545867,6.895872,6.718464,1.226041937,1.623435172,1.217573938,1.030218959,0.864571996,0.982060292,0.9130667,0.741915752,0.444612905,165.54322,145.1096198,157.061805,162.2084328,169.1371606,164.2179079,166.2050503,170.7864946,184.917652,1.761574074,2.15942029,1.746031746,1.677884615,1.477124183,1.555555556,1.5,1.444444444,1,0.047419015,-0.005591747,-0.014505473,-0.00860333,0.002429814,-0.004499316,0.004076257,-0.006750855,0.009735142,645.6853813,-53.80711511,-121.066009,-228.6802392,121.066009,-80.71067267,-80.71067267,-121.066009,242.132018,1200.679538,-100.0566282,-225.1274134,-425.2406698,225.1274134,-150.0849423,-150.0849423,-225.1274134,450.2548269,0.126485333,-0.010540444,-0.023716,-0.044796889,0.023716,-0.015810667,-0.015810667,-0.023716,0.047432,5.367596186,-0.447299682,-1.006424285,-1.901023649,1.006424285,-0.670949523,-0.670949523,-1.006424285,2.01284857,29.15686767,-2.429738973,-5.466912688,-10.32639063,5.466912688,-3.644608459,-3.644608459,-5.466912688,10.93382538,3.939814815,-1.222415123,0.133101852,-1.152006173,0.500578704,-0.85474537,0.658564815,-1.286458333,1.253472222,0.001975792,-2.43E-04,-3.45E-04,-1.65E-04,4.76E-05,-1.36E-04,1.36E-04,-2.50E-04,5.41E-04,26.90355756,-2.339439787,-2.882524024,-4.397696908,2.373843314,-2.44577796,-2.690355756,-4.483926259,13.45177878,50.0283141,-4.350288182,-5.36017651,-8.177705189,4.414263009,-4.548028554,-5.00283141,-8.33805235,25.01415705,0.005270222,-4.58E-04,-5.65E-04,-8.61E-04,4.65E-04,-4.79E-04,-5.27E-04,-8.78E-04,0.002635111,0.223649841,-0.019447812,-0.023962483,-0.036558147,0.01973381,-0.020331804,-0.022364984,-0.037274974,0.111824921,1.214869486,-0.105640825,-0.130164588,-0.198584435,0.107194366,-0.110442681,-0.121486949,-0.202478248,0.607434743,0.164158951,-0.053148484,0.003169092,-0.022153965,0.009815269,-0.025901375,0.02195216,-0.047646605,0.069637346,-0.123049078,-0.17479996,-0.083737873,0.024113575,-0.069006695,0.068769991,-0.126547552,0.27373385,-0.086956522,-0.107142857,-0.163461538,0.088235294,-0.090909091,-0.1,-0.166666667,0.5,-0.086956522,-0.107142857,-0.163461538,0.088235294,-0.090909091,-0.1,-0.166666667,0.5,-0.086956522,-0.107142857,-0.163461538,0.088235294,-0.090909091,-0.1,-0.166666667,0.5,-0.086956522,-0.107142857,-0.163461538,0.088235294,-0.090909091,-0.1,-0.166666667,0.5,-0.086956522,-0.107142857,-0.163461538,0.088235294,-0.090909091,-0.1,-0.166666667,0.5,-0.323762326,0.019305019,-0.134954352,0.059791249,-0.157782288,0.133725029,-0.290246769,0.424206816,1.448500011,1.223587123,1.180904749,0.97214873,1.15673747,0.691557364,0.792153618,1.81E-07,1.5,1.232142857,1.161057692,0.761029412,1.045454545,1.00625,0.958333333,0,1.5,1.232142857,1.161057692,0.761029412,1.045454545,1.00625,0.958333333,0,1.5,1.232142857,1.161057692,0.761029412,1.045454545,1.00625,0.958333333,0,1.5,1.232142857,1.161057692,0.761029412,1.045454545,1.00625,0.958333333,0,1.5,1.232142857,1.161057692,0.761029412,1.045454545,1.00625,0.958333333,0,1.74853114,0.961389961,1.20997921,0.823529412,1.076167076,0.664864865,1.297297297,0,37.24512115,18.62256057,29.17914924,37.24512115,4.655640143,18.6225606,-1.78E-14,0.021136463,0.002642058,-3.085404494,29.39493103,3.674366379,2.704657796,37.24512115,18.62256057,29.17914924,37.24512115,4.655640143,18.6225606,-1.78E-14,0.021136463,0.002642058,-3.085404494,29.39493103,3.674366379,2.704657796,37.24512115,18.62256057,29.17914924,37.24512115,4.655640143,18.6225606,-1.78E-14,0.021136463,0.002642058,-3.085404494,29.39493103,3.674366379,2.704657796,37.24512115,18.62256057,29.17914924,37.24512115,4.655640143,18.6225606,-1.78E-14,0.021136463,0.002642058,-3.085404494,29.39493103,3.674366379,2.704657796,37.24512115,18.62256057,29.17914924,37.24512115,4.655640143,18.6225606,-1.78E-14,0.021136463,0.002642058,-3.085404494,29.39493103,3.674366379,2.704657796,37.24512115,18.62256057,29.17914924,37.24512115,4.655640143,18.6225606,-1.78E-14,0.021136463,0.002642058,-3.085404494,29.39493103,3.674366379,2.704657796,44.13046355,21.959329,34.62721926,43.97160939,5.496451173,21.959329,-0.211805556,0.08399032,0.01049879,-1.981642982,39.28357366,4.910446708,2.936645167,0,11.89,12.11011416,-0.163253098,0.05768266,5.211368943,7.654976521,7,23,22,22,6,1,1,0,0,1,17.491312,3.549970511,3.237979762,2.738050812,2.333552793,2.085309633,1.531119477,1.022943612,0.743438454,1.90839194,1.726732821,1.382538319,1.249629723,0.98455714,0.671977441,0.388113459,0.259039647,3.572884245,3.270575022,2.783968208,2.405454588,2.15259424,1.624232497,1.140504847,0.880878983,1.853491834,1.655349249,1.294411248,1.134540686,0.86803925,0.534852841,0.231396038,0.091700267,3.675777521,3.415190765,2.983000265,2.704236987,2.43964273,2.006041526,1.610146726,1.414336636,1.696742182,1.444212249,1.021918801,0.76031856,0.494641653,0.076454444,0.305343905,0.491918242,3.589878348,3.29467421,2.817689026,2.457539916,2.20181141,1.69147161,1.224664751,0.978229603,1.81894397,1.609741237,1.237093929,1.058262671,0.79118034,0.443010237,0.125533205,0.022024677,3.727169636,3.48602247,3.077358047,2.838982085,2.572271861,2.17446728,1.811298927,1.636541247,1.649372699,1.378404738,0.933160865,0.631337262,0.368626138,0.086133762,0.501430801,0.71038417,3.601143237,3.31122945,2.900971687,2.591598066,2.255865716,1.755848829,1.282988812,1.116861525,1.817346218,1.568981611,1.1407539,0.917179462,0.701486893,0.343547193,0.035291273,0.173195508,0,0,0,2,0,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.144337567,0.23570226,0.136082763,0.096225045,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,6.14626437,3.419885524,2.509201922,1.009856211,0.535057239,0.288675135,0.19245009,0,0.768283046,0.488555075,0.358457417,0.201971242,0.13376431,0.096225045,0.096225045,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,6,2,0,2,0,0,0,0,0,0,0,0,3,0,2,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.476851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.581388889,0,0,1.518611111,0.580555556,0,0.581388889,0,0,0,0,0,0,0,0,6.635740741,0,2.403333333,0,4.476851852,0,0.817407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.222222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.285069444,0,0,0.225625,0.290277778,0,0.285069444,0,0,0,0,0,0,0,0,2.163518519,0,1.173333333,0,2.222222222,0,0.817407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.296319444,0,0,0.290277778,0.290277778,0,0.296319444,0,0,0,0,0,0,0,0,2.236111111,0,1.23,0,2.25462963,0,0.817407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,1.791666667,0.296319444,2.25462963,0.225625,0.817407407,5.625963333,0.515925926,0.25462963,2.225185185,0.515925926,0.25462963,2.225185185,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.375,0.125,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.20553,0.90069,8.40872,1.2032,0.1504,3.22715,0.40339,3.77005,0.54289,0.06786,0.14395,0.01799,0.14395,0.01799,0,7,0,0,0,0,0,0,0.75,0.918295834,1.91588515,2.812907292,3.323934896,3.188721876,2.914348438,22.03910002,45.98124361,67.509775,79.77443751,76.52932501,69.94436251,0.200284263,0.417862774,0.613507153,0.724964467,0.695473927,0.635631903,3.666666667,2.66907735,1.772055209,1.261027604,1.396240625,1.670614063,0.200284263,0.417862774,0.613507153,0.724964467,0.695473927,0.635631903,6.73287657,14.72064472,17.80245923,18.31748564,17.26519999,15.80474791,31.59900002,22.01412127,19.04248125,17.86340886,19.34774479,17.43734375,8,5.142857143,7.2,8,2,7,2.34,1.1928,0.721124785,4.146039495,1.754410643,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,3.478,7,5,4,3,2,0,0,0,0,36,2.197224577,2.302585093,2.197224577,2.197224577,1.945910149,1.609437912,0,0,0,0,3.951243719,1.416666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,0,144.287877,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,112.1252005,4.671883355,14.66595917,1.833244896,0,0,0,79,5,4.315,28,1.215965585,2.115028537,2.926101425,3.617802185,4.836169409,5.857575512,6.787080776,7.699192464,0,0,74.79263279,75.63755977,70.75187446,73.33283901,109.6354571,105.0159996,43.20403215,7.822872292,0,0,279.8691712,332.7810193,359.8741565,378.5075595,568.9593187,607.0787884,484.8165472,239.3197309,0,0,8.847013805,15.04537529,20.57215106,25.17962779,33.92240438,40.88996226,46.90548673,51.7267474,0,0,2.115549923,2.744324695,3.171847306,3.436805827,5.069519077,5.631171678,5.207458509,3.423160326,0,0,174.2244977,327.6162671,470.9353468,602.1865805,784.295998,964.2619575,1150.965591,1423.716593,0,0,2.706304941,3.850008086,5.057506322,5.64729315,7.796398142,9.093342021,10.06071211,7.699192464,0,0,0.438421312,0.578418522,0.676680964,0.73820455,1.08378986,1.212076181,1.145448743,0.788397308,0,0,389.2816834,185.2173542,10.86715372,122.4296001,-58.25110089,-7.254632977,266.8520833,243.4684551,18.12178669,0.760744771,0.361956752,0.021236885,0.239255229,-0.113835873,-0.0141772,199.1998299,94.77781006,5.560845177,62.64860782,-29.8077456,-3.712277552,0.11959836,0.185337394,1.156197427,1.952584721,511.7112835,0,1,0,454.702734,21.32375985,7.68969631,614.9693592,24.79857575,8.50389376,714.3314761,26.7269803,8.939226245,2.060290521,2.060290521,801.4286276,751.5815704,83.61637547,1.066322884,9.584589419,8.988449526,4.549430143,4.679498509,9.283905119,0.983953003,6.549724976,5.745638303,2.773807877,20.90284615,9.782110048,6.374974331,4.793821443,6.714930058,9.18911281,1.890151566,4.253314538,8.300517078,2.8258369,6.088338161,1.000233042,3.761687623,3.16E-04,0.009375084,5.37E-23,5.93E-65,1.26E-128,5.18E-214,4.106E-321,0,0,0,0,0,0,0,0.549681346,5.73844075,0.226646441,6.870403746,1.014595452,0.484593965,0.772714873,0.195922083,3.211004829,0.151130704,0.186708081,1.156082737,0.119178495,1.191033777,0.007044811,0.091178433,2.23E-06,6.60E-05,3.78E-25,4.17E-67,8.89E-131,3.65E-216,3.0E-323,0,0,0,0,0,0,0,1.774418168,5.738921854,0.735688181,7.881325454,1.624689085,1.594286596,1.581522026,0.869604365,4.008609868,0.492351403,0.712994466,2.279954408,0.462459404,1.821757,0.073411672,0.442273733,2.32E-05,6.88E-04,3.94E-24,4.35E-66,9.26E-130,3.80E-215,3.0E-322,0,0,0,0,0,0,0,6.182406604,5.744848128,2.61402059,19.38811893,8.828085842,5.981589576,4.54341178,6.083421098,8.673616251,1.778825471,3.896887306,7.744819168,2.586127139,5.658016664,0.891189693,3.396135103,2.82E-04,0.008353031,4.78E-23,5.28E-65,1.12E-128,4.62E-214,3.656E-321,0,0,0,0,0,0,0,2.6151616,5.739545496,1.088362313,9.125604028,2.393729975,2.383568346,2.140301799,1.527138943,4.681635518,0.730671533,1.164476502,3.150765083,0.760228511,2.364269004,0.159459745,0.80150384,5.04E-05,0.001494598,8.56E-24,9.45E-66,2.01E-129,8.26E-215,6.5E-322,0,0,0,0,0,0,0,7.909739574,5.748960851,3.36980181,27.25566462,13.78822606,7.868720119,5.725790369,9.317018907,11.26753449,2.307865241,5.695031095,10.49236066,3.797407133,7.829811587,1.458745603,5.275084779,4.61E-04,0.013672678,7.83E-23,8.64E-65,1.84E-128,7.56E-214,5.99E-321,0,0,0,0,0,0,0,3.759050731,4.930718779,1.574768549,11.35928048,3.974277864,3.462664118,3.057745288,2.569191252,5.398697589,1.010270281,1.856797471,4.312874472,1.225455701,3.554315814,0.311592693,1.433943493,9.84E-05,0.002920524,1.67E-23,1.85E-65,3.93E-129,1.61E-214,1.28E-321,0,0,0,0,0,0,0,7.987149537,1.16218767,0.505978547,0.827228207,0.12036765,0.583322622,0.482240706,0.346336709,9.655315754,13.91193506,28.26403042,0.74084231,1.411900037,6.554401597,0.595483739,0.151747525,0.897662444,0.081554873,0.392766494,0.122875805,0.0300489,7.301632861,4.988016969,12.88192642,0.846493666,0.545691199,7.12343668,0.819831062,0.293171566,0.864868472,0.099537073,0.46395035,0.235950831,0.114335115,8.236439308,8.168754903,18.11732046,0.797302708,0.814236296,7.951678189,1.148098126,0.497268883,0.828554834,0.119630376,0.578151306,0.470328014,0.334348332,9.597045197,13.65434243,27.79110783,0.742832251,1.382827652,7.377081697,0.920191133,0.355848188,0.852534211,0.106342108,0.497589983,0.298853364,0.169480136,8.653121018,9.740894666,20.80962889,0.778801316,0.965923483,8.098201012,1.206311078,0.53323322,0.823176526,0.122620686,0.599661576,0.520538887,0.385226878,9.83774531,14.73042453,29.77729829,0.73476479,1.505427342,7.960907429,1.149395693,0.497318035,0.828603387,0.119633744,0.57950529,0.471410535,0.334336223,9.607621157,13.68095076,27.83914767,0.74290508,1.385252048 +UMLMON0271,L,6-methyl-3-heptene,CCC=CCC(C)C,175694, (trans) reported; [9] has RON of 91.3,UML,[1],C8H16,PubChem,,82,0,0.3292,0.10837264,21.936,15.46793,0,0,15,5,10,0,5,0,0,0,0,0,0,0,0,0,731.481245,842.391485,777.88234,373.368409,90.93168,9.144576,0,0,0,2428.421953,3264.950672,3747.43968,2830.697185,1247.927098,279.7536999,0,0,0,104.88722,108.8789,191.073424,209.560996,163.638144,60.466176,0,0,0,18.39062905,25.0799431,32.08459929,27.72343953,14.68429815,4.001516144,0,0,0,2483.148301,2165.197258,4251.561752,4917.094387,4247.253023,1664.258868,0,0,0,23.80555556,28.77777778,41.33333333,44,30,9,0,0,0,48.76541633,56.15943233,28.81045704,12.44561363,3.78882,1.016064,0,0,0,161.8947969,217.6633782,138.7940622,94.35657284,51.99696242,31.08374443,0,0,0,6.992481333,7.258593333,7.076793481,6.985366533,6.818256,6.718464,0,0,0,1.226041937,1.671996207,1.188318492,0.924114651,0.611845756,0.444612905,0,0,0,165.54322,144.3464838,157.4652501,163.9031462,176.9688759,184.917652,0,0,0,1.587037037,1.918518519,1.530864198,1.466666667,1.25,1,0,0,0,0.019684929,-0.003067391,-0.00413249,-0.010474672,0.003000583,0.004831506,0,0,0,403.5533633,9.24E-14,-121.066009,-282.4873543,80.71067267,121.066009,0,0,0,750.4247115,2.70E-13,-225.1274134,-525.297298,150.0849423,225.1274134,0,0,0,0.079053333,1.13E-15,-0.023716,-0.055337333,0.015810667,0.023716,0,0,0,3.354747616,-1.33E-15,-1.006424285,-2.348323331,0.670949523,1.006424285,0,0,0,18.22304229,5.46E-14,-5.466912688,-12.75612961,3.644608459,5.466912688,0,0,0,1.803703704,-0.894444444,0.195925926,-0.407407407,-0.197037037,0.401111111,0,0,0,0.001312329,-2.04E-04,-1.53E-04,-3.49E-04,1.25E-04,5.37E-04,0,0,0,26.90355756,6.16E-15,-4.483926259,-9.416245144,3.362944694,13.45177878,0,0,0,50.0283141,1.80E-14,-8.33805235,-17.50990993,6.253539262,25.01415705,0,0,0,0.005270222,7.55E-17,-8.78E-04,-0.001844578,6.59E-04,0.002635111,0,0,0,0.223649841,-8.88E-17,-0.037274974,-0.078277444,0.02795623,0.111824921,0,0,0,1.214869486,3.64E-15,-0.202478248,-0.42520432,0.151858686,0.607434743,0,0,0,0.120246914,-0.05962963,0.007256516,-0.013580247,-0.008209877,0.044567901,0,0,0,-0.155824354,-0.116628707,-0.266058155,0.095269041,0.409069783,0,0,0,2.29E-16,-0.166666667,-0.35,0.125,0.5,0,0,0,3.60E-16,-0.166666667,-0.35,0.125,0.5,0,0,0,1.43E-14,-0.166666667,-0.35,0.125,0.5,0,0,0,-3.97E-16,-0.166666667,-0.35,0.125,0.5,0,0,0,3.00E-15,-0.166666667,-0.35,0.125,0.5,0,0,0,-0.495893224,0.060346794,-0.112936345,-0.068275154,0.37063655,0,0,0,1.553159505,1.089843159,1.220517292,0.65255514,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.983572895,0.750627424,1.056468172,0.970225873,0,0,0,0,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,16.09969296,7.963735371,12.18440096,15.99635963,3.199271926,7.964405848,-0.172222222,2.22E-16,4.44E-17,-18.02182669,2000007,400001.4,7.254330619,0,11.89,12.11005553,-0.161877421,0.059222037,5.239054887,6.635107239,5,15,15,15,5,0,0,0,0,0,10.93207,3.722321007,2.627204026,2.240212372,1.208534506,0.921221809,0.083923071,0.083923071,0.083923071,1.653785103,1.546192531,1.106628577,0.726794591,0.266477566,0.083923071,0.083923071,0.083923071,3.74308453,2.683901841,2.310574874,1.315494198,1.040395973,0.270913902,0.270913902,0.270913902,1.580851254,1.463800908,0.99385857,0.601618755,0.098752419,0.270913902,0.270913902,0.270913902,3.835216298,2.926268482,2.6051496,1.749788554,1.520567748,0.943918427,0.943918427,0.943918427,1.367526455,1.217206733,0.629137905,0.191472921,0.487945466,0.943918427,0.943918427,0.943918427,3.758420311,2.725363301,2.361691163,1.392521882,1.126052294,0.399277246,0.399277246,0.399277246,1.534429758,1.410875787,0.919258293,0.518431346,0.01533246,0.399277246,0.399277246,0.399277246,3.880688851,3.039124258,2.738836715,1.938747012,1.727081239,1.207644823,1.207644823,1.207644823,1.302051637,1.13971065,0.504312344,0.048864215,0.708684885,1.207644823,1.207644823,1.207644823,3.71925211,2.907852171,2.514953356,1.485553894,1.229734549,0.612244898,0.612244898,0.612244898,1.466343188,1.329987955,0.774656395,0.405937409,0.180803358,0.612244898,0.612244898,0.612244898,0,0,0,0,0,2,1,2,0,0.23570226,0.471404521,0.23570226,0,0,0.23570226,0.471404521,0.23570226,0,0,0.471404521,0,0,0,0.471404521,0,0,0,0.471404521,0,0,0.471404521,0,0,3.86180732,2.304530453,2.190270029,1.276142375,0.23570226,0,0,0,0.772361464,0.460906091,0.312895718,0.255228475,0.23570226,0,0,0,3.86180732,2.304530453,2.190270029,1.276142375,0.23570226,0,0,0,0.772361464,0.460906091,0.312895718,0.255228475,0.23570226,0,0,0,7.709139019,14.43918427,13.62745098,13.8,8.992772455,115.1412754,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.6623,22.945,9.772386304,15.00845428,19.54477261,3.908954521,9.772493789,4.44E-16,8.88E-17,-17.6752531,2000006.919,400001.3839,7.254330599,22,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,4.592592593,0,1.472222222,0,0,0,2.101851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.296296296,0,1.472222222,0,0,0,1.050925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.296296296,0,1.472222222,0,0,0,1.050925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.166666667,1.633333333,0.2,2.296296296,0.2,1.050925926,3.586898148,0.282407407,0.296296296,1.185185185,0.282407407,0.296296296,1.185185185,2.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.4,0.4,0,2.5,0.5,2.5,0.5,0,0,-2.5,-0.5,0,0,3.9223,0.78446,3.9223,0,0,2.30452,0.4609,2.30452,0,0,0.10948,0.0219,0.19548,0.0391,0.2,5,0,0,0,0,0,0,1,0.918295834,1.425605199,2.339572262,2.339572262,2.339572262,1.691527476,13.77443751,21.38407799,35.09358393,35.09358393,35.09358393,25.37291214,0.235045188,0.364895091,0.598832295,0.598832295,0.598832295,0.432960032,2.988594762,2.481285397,1.567318334,1.567318334,1.567318334,2.215363119,0.235045188,0.364895091,0.598832295,0.598832295,0.598832295,0.432960032,6.73287657,12.82058895,13.74170783,13.74170783,13.74170783,5.965170405,19.74937501,14.76455615,15.58777522,15.58777522,15.58777522,9.373994032,3.2,0.734693878,0.444444444,0,0,0,2.01,0.7045,0.333333333,1,2.828427125,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,2.169,7,5,1,0,0,0,0,0,0,23,1.791759469,2.079441542,1.791759469,0.693147181,0,0,0,0,0,0,3.17805383,1,0.333333333,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,0,2,3,0.5,1.5,1.222222222,0,0,0,0,0,0,0,0,0.3,0.305555556,0,0,0,0,0,0,0,0,0.605555556,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,0,82.67992313,3.321928095,3.218875825,4.007333185,4.844187086,5.666426688,6.502790046,7.333676396,8.168769824,9.001962273,9.836439218,68.58046054,2.397895273,1.945910149,3.663561646,3.931825633,5.153291594,5.733341277,6.741700695,7.458762692,8.373553741,8.9226583,70.07825032,4.671883355,9.115918943,1.823183789,0,0,0,16,1,2.723,24,1.222391529,2.127474007,2.933843667,3.567674987,4.661122714,0,0,0,0,0,79.23825166,69.97511254,40.99353824,15.37617334,4.735998989,0,0,0,0,0,290.8117196,320.1538369,290.9267516,199.5287805,144.8851472,0,0,0,0,0,8.906727723,15.11237731,20.53118454,24.39222336,31.31558515,0,0,0,0,0,2.178076375,2.68016243,2.801233949,2.294982078,2.07239531,0,0,0,0,0,174.3383021,330.9223839,478.1127429,626.0384598,861.923868,0,0,0,0,0,2.388383279,3.37593573,4.405581826,4.627197283,4.661122714,0,0,0,0,0,0.450622235,0.566314343,0.605524405,0.511120187,0.477298966,0,0,0,0,0,258.5403781,65.29772049,6.421420651,74.18736879,-18.73698069,-3.909726339,184.3530093,84.03470118,10.33114699,0.777032816,0.1962497,0.019299324,0.222967184,-0.05631325,-0.011750527,86.0235575,21.72636342,2.136584825,24.68419607,-6.234313368,-1.300874436,0.118309378,0.245800883,2.130438058,6.933905347,332.7277469,0,1,0,337.1021736,18.36034242,6.95964655,435.9231885,20.87877363,7.582341206,437.4125349,20.91440974,7.5909665,1.3744682,1.149180924,159.8669389,137.9465698,48.69800709,1.158904778,3.282823024,2.832694355,3.030342609,3.271137252,5.404942442,0.65231295,3.582622559,3.981515384,1.952535141,8.853428551,4.464474872,8.15163587,2.07117138,3.759909592,1.397979348,0.405111098,4.19E-16,8.35E-53,3.21E-111,2.38E-191,3.40E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300664723,3.980831391,0.138722924,3.789048242,0.057626768,0.258707544,0.046421986,0.166889694,0.009846083,0.002853231,2.95E-18,5.88E-55,2.26E-113,1.68E-193,2.40E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.970582286,3.980877351,0.464379852,4.326311874,0.394936654,1.115136174,0.211916495,0.636692279,0.102603775,0.029732863,3.07E-17,6.13E-54,2.36E-112,1.75E-192,2.50E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.381703452,3.981440377,1.825723642,8.367751098,3.995795353,7.401453436,1.859554238,3.446691223,1.24557443,0.360946695,3.73E-16,7.44E-53,2.86E-111,2.12E-191,3.03E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.430459692,3.98093671,0.701170091,4.842542998,0.793424595,1.927129568,0.399100238,1.037468106,0.222869109,0.064583751,6.68E-17,1.33E-53,5.12E-112,3.79E-192,5.43E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.326535577,3.981830719,2.439968076,10.85109926,6.425615005,11.23236293,2.954229652,5.025501715,2.038821494,0.590816464,6.11E-16,1.22E-52,4.68E-111,3.47E-191,4.96E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.268380059,3.443103566,0.957852987,6.131332521,1.718159286,3.793376457,0.881509036,2.093967911,0.524023912,0.15185339,1.57E-16,3.13E-53,1.20E-111,8.92E-192,1.28E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.576984371,0.932254957,0.589632537,0.628705765,0.22744184,0.530375559,0.374789979,0.430913273,4.098871865,4.471568142,9.986977019,0.443058647,1.336078812,1.777271089,0.505333729,0.190986447,0.718498288,0.204291524,0.25143584,0.110130722,0.046823215,2.473591265,1.334061611,3.979180673,0.577747432,0.408389776,2.093919083,0.674889894,0.350290988,0.671321569,0.216373281,0.349255648,0.196426046,0.155617264,3.119099965,2.383053658,5.997172526,0.506982354,0.701298958,2.557099226,0.921685299,0.579849971,0.630039297,0.227092462,0.522154787,0.366339882,0.417143554,4.058634497,4.374013873,9.79926242,0.445058946,1.305638223,2.23551371,0.750469432,0.420846619,0.656185917,0.220283808,0.398338022,0.242880877,0.223183463,3.406829761,2.934325614,7.047203311,0.484278875,0.864402361,2.639261713,0.965345817,0.620236792,0.624700347,0.228492636,0.556548368,0.401868136,0.475337303,4.224844323,4.783510467,10.58859425,0.43705052,1.433753807,2.572882982,0.922915686,0.580543859,0.631174384,0.226407786,0.528660011,0.367318617,0.417902829,4.076342527,4.404018512,9.858893818,0.446761575,1.313881457 +UMLMON0272,L,"cis-1,2-dimethylcyclopropane",C[C@@H]1C[C@@H]1C,252321,Sandia values from independent api report ,Sandia,,C5H10,PubChem,,84.3,0,-0.3196,0.10214416,23.4283,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,1010.869782,994.788989,683.148315,331.036441,76.792464,6.096384,0,0,2914.106344,3917.940807,4859.37628,4072.221305,2558.253186,1071.022993,186.5024666,0,0,125.864664,130.65468,241.319732,292.225836,221.401252,143.083584,40.310784,0,0,22.06875486,30.09593172,41.55476515,38.41629999,25.93693972,12.68152803,2.667677429,0,0,2979.777961,2598.236709,5297.091394,6988.064515,5414.110108,3724.295171,1109.505912,0,0,26.77777778,32.83333333,51.41666667,56.41666667,43,24.5,6,0,0,48.76541633,56.15943233,29.25849968,16.26543607,10.34488878,3.656784,1.016064,0,0,161.8947969,217.6633782,142.9228318,96.95765012,79.94541207,51.00109489,31.08374443,0,0,6.992481333,7.258593333,7.097639176,6.957758,6.918789125,6.813504,6.718464,0,0,1.226041937,1.671996207,1.222198975,0.914673809,0.810529366,0.603882287,0.444612905,0,0,165.54322,144.3464838,155.7968057,166.3824885,169.1909409,177.3473891,184.917652,0,0,1.487654321,1.824074074,1.512254902,1.343253968,1.34375,1.166666667,1,0,0,0.024502509,-0.001664549,-0.012035411,-0.001427524,-0.003847163,0.003090493,0.003632899,0,0,484.264036,4.90E-13,-228.6802392,-80.71067267,-94.16245144,80.71067267,80.71067267,0,0,900.5096538,2.98E-13,-425.2406698,-150.0849423,-175.0990993,150.0849423,150.0849423,0,0,0.094864,1.36E-15,-0.044796889,-0.015810667,-0.018445778,0.015810667,0.015810667,0,0,4.025697139,3.16E-15,-1.901023649,-0.670949523,-0.782774444,0.670949523,0.670949523,0,0,21.86765075,6.53E-14,-10.32639063,-3.644608459,-4.252043202,3.644608459,3.644608459,0,0,1.49382716,-0.351851852,-0.577846365,0.252057613,-0.347050754,0.072016461,0.205761317,0,0,0.00136125,-9.25E-05,-3.54E-04,-3.40E-05,-1.20E-04,1.47E-04,6.05E-04,0,0,26.90355756,2.72E-14,-6.725889389,-1.921682683,-2.942576608,3.843365365,13.45177878,0,0,50.0283141,1.66E-14,-12.50707852,-3.573451007,-5.471846854,7.146902014,25.01415705,0,0,0.005270222,7.55E-17,-0.001317556,-3.76E-04,-5.76E-04,7.53E-04,0.002635111,0,0,0.223649841,1.76E-16,-0.05591246,-0.015974989,-0.024461701,0.031949977,0.111824921,0,0,1.214869486,3.63E-15,-0.303717372,-0.086776392,-0.13287635,0.173552784,0.607434743,0,0,0.082990398,-0.019547325,-0.016995481,0.006001372,-0.010845336,0.003429355,0.034293553,0,0,-0.067933829,-0.260042268,-0.024968705,-0.088318674,0.10811115,0.444799184,0,0,1.01E-15,-0.25,-0.071428571,-0.109375,0.142857143,0.5,0,0,3.31E-16,-0.25,-0.071428571,-0.109375,0.142857143,0.5,0,0,1.43E-14,-0.25,-0.071428571,-0.109375,0.142857143,0.5,0,0,7.86E-16,-0.25,-0.071428571,-0.109375,0.142857143,0.5,0,0,2.99E-15,-0.25,-0.071428571,-0.109375,0.142857143,0.5,0,0,-0.23553719,-0.204788527,0.07231405,-0.130681818,0.041322314,0.41322314,0,0,1.484849327,1.323889801,0.90558118,0.983166393,0.559018976,0.004221038,0,0,1.416666667,1.375,0.961309524,0.9296875,0.505952381,0,0,0,1.416666667,1.375,0.961309524,0.9296875,0.505952381,0,0,0,1.416666667,1.375,0.961309524,0.9296875,0.505952381,0,0,0,1.416666667,1.375,0.961309524,0.9296875,0.505952381,0,0,0,1.416666667,1.375,0.961309524,0.9296875,0.505952381,0,0,0,1.72107438,1.111053719,0.718786895,1.200251808,0.74512987,0,0,0,19.94251632,9.971258159,15.55420338,19.94251632,3.32375272,9.97139041,1.24E-14,0.094108588,0.015684765,-1.417983583,78.21676672,13.03612779,2.61569042,19.94251632,9.971258159,15.55420338,19.94251632,3.32375272,9.97139041,1.24E-14,0.094108588,0.015684765,-1.417983583,78.21676672,13.03612779,2.61569042,19.94251632,9.971258159,15.55420338,19.94251632,3.32375272,9.97139041,1.24E-14,0.094108588,0.015684765,-1.417983583,78.21676672,13.03612779,2.61569042,19.94251632,9.971258159,15.55420338,19.94251632,3.32375272,9.97139041,1.24E-14,0.094108588,0.015684765,-1.417983583,78.21676672,13.03612779,2.61569042,19.94251632,9.971258159,15.55420338,19.94251632,3.32375272,9.97139041,1.24E-14,0.094108588,0.015684765,-1.417983583,78.21676672,13.03612779,2.61569042,19.94251632,9.971258159,15.55420338,19.94251632,3.32375272,9.97139041,1.24E-14,0.094108588,0.015684765,-1.417983583,78.21676672,13.03612779,2.61569042,22.22801175,11.05927281,17.35765536,22.19714755,3.699524592,11.05931691,-0.092592593,0.050432742,0.008405457,-1.792268807,33.19193019,5.531988364,2.101384068,0,11.9,12.1000824,-0.151150994,0.048945128,5.211620956,7.351754728,6,18,18,18,6,0,0,0,0,0,13.118484,3.66123709,2.947397233,2.028500884,2.028500884,1.453447379,0.86218685,0.083923071,0.083923071,2.013477319,1.571604744,0.944577813,0.944577813,0.664468809,0.339025397,0.083923071,0.083923071,3.684870543,2.991651137,2.095899225,2.095899225,1.554100302,0.996786096,0.270913902,0.270913902,1.96147511,1.485565036,0.824985323,0.824985323,0.520877953,0.175834373,0.270913902,0.270913902,3.788818317,3.183551516,2.386450742,2.386450742,1.962836792,1.516549614,0.943918427,0.943918427,1.809598475,1.221144991,0.442532316,0.442532316,0.037609723,0.392270658,0.943918427,0.943918427,3.702278805,3.024144174,2.145396886,2.145396886,1.626528939,1.091874627,0.399277246,0.399277246,1.928470285,1.429747571,0.746119641,0.746119641,0.424479662,0.065020044,0.399277246,0.399277246,3.839542072,3.274760456,2.521841838,2.521841838,2.141425708,1.732680308,1.207644823,1.207644823,1.762463114,1.135454037,0.314197015,0.314197015,0.135307452,0.604780447,1.207644823,1.207644823,3.698294313,3.173542061,2.259021986,2.226887655,1.764130022,1.255987971,0.642857143,0.642857143,1.913026081,1.270200488,0.619744798,0.591473257,0.251738369,0.125461841,0.642857143,0.642857143,0,0,0,0,0,1,4,1,0,0,0.204124145,0.144337567,0.144337567,0,0,0.204124145,0.144337567,0.144337567,0,0.204124145,0,0,0,0.204124145,0,0,0,0.49279928,0.288675135,0,0.49279928,0.288675135,0,4.405777394,2.931851653,2.205177354,1.802095141,0.696923425,0.288675135,0,0,0.734296232,0.488641942,0.315025336,0.225261893,0.174230856,0.144337567,0,0,4.405777394,2.931851653,2.205177354,1.802095141,0.696923425,0.288675135,0,0,0.734296232,0.488641942,0.315025336,0.225261893,0.174230856,0.144337567,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.1965,27.632,15.29995938,23.2522502,30.59991877,5.099986461,15.29995982,0.105194527,0.017532421,-1.351166405,19.93220677,3.322034461,1.795402112,36,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,1,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,2.281574074,0,5.936018519,0,0,0,1.115740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.281574074,0,1.416666667,0,0,0,1.115740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.281574074,0,1.510416667,0,0,0,1.115740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.333333333,1.555555556,0.2,2.281574074,0.2,1.115740741,4.320990741,0.217592593,0.281574074,0.604814815,0.217592593,0.281574074,0.604814815,3,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.16667,0.16667,0,3,0.5,3,0.5,0,0,-3,-0.5,0,0,4.98949,0.83158,4.98949,0,0,2.93185,0.48864,2.93185,0,0,-0.01785,-0.00297,0.06815,0.01136,0.222222222,6,0,0,0,0,0,0,1,0.918295834,1.335505557,2.350209029,2.905764585,3.016875696,2.626615808,16.52932501,24.03910002,42.30376252,52.30376252,54.30376252,47.27908455,0.220218789,0.320270882,0.563609424,0.696838572,0.723484402,0.629895216,3.251629167,2.834419445,1.819715972,1.264160417,1.153049306,1.543309193,0.220218789,0.320270882,0.563609424,0.696838572,0.723484402,0.629895216,6.73287657,11.73939324,15.20474235,16.98599792,15.8766257,14.15819006,23.69925001,19.03258335,16.91696043,15.16825487,16.09490487,13.82806654,4.166666667,1.632653061,0.75,2,0,2,2.12,0.8454,0,1.632993162,0.5,0,3.532775529,3.363585661,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,2.896,7,8,4,2,0,0,0,0,0,33,1.945910149,2.079441542,2.197224577,1.609437912,1.098612289,0,0,0,0,0,3.526360525,1,0.5,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,2,0.333333333,0,2,4,1,1,0.333333333,0.3125,0.111111111,0,0,0,0,0,0,0.166666667,0.066666667,0.104166667,0.111111111,0,0,0,0,0,0,0.448611111,9.971258159,15.55420338,19.94251632,3.32375272,9.97139041,0.094108588,0.015684765,-1.417983583,78.21676672,13.03612779,2.61569042,0,99.97590776,3.584962501,3.295836866,4.043051268,4.812184355,5.579729826,6.357842267,7.13009851,7.910223707,8.683554729,9.464129513,69.27665104,2.564949357,0,3.891820298,0,5.379897354,0,6.91671502,0,8.466531277,8.706655856,84.09390038,4.671883355,11.41204485,1.902007474,0,0,0,29,3,3.353,26,1.311437455,2.28660093,3.085309973,3.913654151,4.477230103,5.340505273,0,0,0,0,91.13285325,75.74431626,56.84036814,43.27316903,17.3404036,5.42629515,0,0,0,0,326.3009562,352.9845158,321.6584918,323.2521833,235.645732,166.0029011,0,0,0,0,9.575135187,16.29251979,21.53198799,27.11099138,30.54046876,35.87999242,0,0,0,0,2.414353997,2.957264633,2.970136134,3.242800035,2.76211126,2.374457563,0,0,0,0,185.8183859,351.6559959,508.4483739,659.6206869,791.249661,987.5536958,0,0,0,0,2.463505475,3.539899787,4.252426589,5.312508906,5.297038921,5.340505273,0,0,0,0,0.498388569,0.624592517,0.638956066,0.706825428,0.617162111,0.54686774,0,0,0,0,325.2383537,101.1004634,8.457590923,92.61627855,-28.7898047,-4.730991201,232.6220751,129.8902681,13.18858212,0.778352873,0.241951281,0.02024051,0.221647127,-0.068899092,-0.011322098,135.9023526,42.24529696,3.534043545,38.70014101,-12.02995325,-1.976866588,0.096099355,0.208877675,2.302365489,2.285984574,417.8546322,0,1,0,308.2044227,17.55575184,6.754807167,424.4488557,20.60215658,7.515221564,452.7412338,21.27771684,7.678623081,1.205365809,1.007047119,286.1781267,245.0486313,82.12876377,1.167842176,3.484505471,2.983712649,3.659892402,3.591328156,6.128151094,0.706374585,3.346806641,2.565447546,2.882931568,7.627683963,11.59988296,5.724730831,7.682143585,4.81719913,2.200551245,0.309570577,0.765839969,9.88E-07,9.74E-34,1.85E-82,6.78E-153,4.79E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.28087429,2.565218051,2.048424456,1.600722379,2.635838865,0.236958258,1.467956393,0.542262293,0.12838923,0.011529007,0.005393874,6.96E-09,6.86E-36,1.30E-84,4.77E-155,3.37E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.906696446,2.565233859,2.175519479,2.15819677,3.689264569,0.92536493,2.230880442,0.952194302,0.451545713,0.046739286,0.056208321,7.25E-08,7.15E-35,1.36E-83,4.97E-154,3.52E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.15911246,2.565422516,2.816544756,7.020718567,10.7764719,5.236029277,7.122877839,4.391811918,2.03838339,0.282258928,0.682349624,8.81E-07,8.67E-34,1.65E-82,6.04E-153,4.27E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336303737,2.565253926,2.275606763,2.74064093,4.642915789,1.526134408,2.904704436,1.370977185,0.703019932,0.078519036,0.122091984,1.58E-07,1.55E-34,2.95E-83,1.08E-153,7.64E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041753714,2.565552685,3.14610279,10.14523376,14.96043513,7.707602119,9.955909645,6.578061313,2.841079465,0.420986803,1.116905619,1.44E-06,1.42E-33,2.70E-82,9.89E-153,6.99E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.228358503,2.581340828,2.152510495,4.243034371,6.993591533,3.003510284,4.811970058,2.554847934,1.391579074,0.153061597,0.316495089,4.08E-07,4.02E-34,7.64E-83,2.80E-153,1.98E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.447399064,1.22338069,0.694789013,0.642503938,0.22800578,0.585361726,0.544504861,0.396973797,5.365568767,7.462687899,15.75851644,0.463755908,1.526840384,2.67372779,0.735800098,0.245981752,0.731424084,0.20128523,0.353126306,0.196505236,0.049618167,3.65550964,2.806010814,6.945447531,0.597136126,0.599249709,2.980737361,0.929656404,0.424295853,0.687647242,0.214468967,0.438269405,0.314189243,0.147845077,4.334689619,4.430225437,9.940664993,0.531470863,0.900303725,3.428220156,1.211328622,0.683683743,0.644010973,0.227555084,0.5788958,0.533828804,0.384370308,5.323232521,7.324685272,15.48705209,0.46601646,1.497094912,3.117704261,1.015973723,0.503750107,0.672291667,0.219081289,0.479229156,0.375392607,0.208503846,4.63742809,5.249846329,11.4829057,0.5084375,1.063125608,3.507450192,1.261107151,0.729554906,0.637937174,0.229370936,0.605840663,0.578599303,0.437744133,5.498112249,7.902194924,16.62732588,0.456905761,1.622184099,3.439737482,1.213337606,0.685574083,0.644308583,0.227274272,0.582704838,0.535684146,0.386570977,5.338649171,7.36359053,15.56352622,0.466462874,1.504959961 +UMLMON0273,L,ethylcyclobutane,CCC1CCC1,252322,Sandia values from independent api report ,Sandia,,C6H12,PubChem,,63.9,0,0.525,0.275625,35.3367,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1912.866323,1536.635695,716.597618,178.815168,18.289152,0,0,3885.475125,5223.921076,7983.759134,8343.0636,5761.955305,2402.602963,559.5073998,0,0,167.819552,174.20624,341.907212,472.656508,511.583816,307.120896,120.932352,0,0,29.42500648,40.12790896,64.52079401,74.29419331,58.99573411,28.03475758,8.003032287,0,0,3973.037281,3464.315612,7410.01833,10647.22523,12550.21632,7939.753089,3328.517736,0,0,37.83333333,45.77777778,75.47222222,104.3333333,101,57,18,0,0,48.76541633,56.15943233,39.85138173,22.93486112,9.683751595,3.9736704,1.016064,0,0,161.8947969,217.6633782,166.3283153,124.5233373,77.86426087,53.39117695,31.08374443,0,0,6.992481333,7.258593333,7.123066917,7.054574746,6.913294811,6.8249088,6.718464,0,0,1.226041937,1.671996207,1.344183209,1.108868557,0.79723965,0.622994613,0.444612905,0,0,165.54322,144.3464838,154.3753819,158.9138094,169.5975178,176.4389575,184.917652,0,0,1.576388889,1.907407407,1.572337963,1.55721393,1.364864865,1.266666667,1,0,0,0.031613547,-0.004458916,0.001436243,-0.019530593,-0.006205393,0.003291683,0.009660203,0,0,645.6853813,5.19E-13,40.35533633,-511.1675936,-215.2284604,121.066009,242.132018,0,0,1200.679538,-5.68E-14,75.04247115,-950.5379679,-400.2265128,225.1274134,450.2548269,0,0,0.126485333,2.94E-15,0.007905333,-0.100134222,-0.042161778,0.023716,0.047432,0,0,5.367596186,1.20E-14,0.335474762,-4.24934698,-1.789198729,1.006424285,2.01284857,0,0,29.15686767,-1.15E-13,1.822304229,-23.08252024,-9.718955891,5.466912688,10.93382538,0,0,2.791666667,-1.347222222,0.555555556,-0.842013889,0.003472222,-0.546875,0.78125,0,0,0.001317231,-1.86E-04,2.99E-05,-2.92E-04,-8.39E-05,7.31E-05,5.37E-04,0,0,26.90355756,2.16E-14,0.840736174,-7.629367068,-2.908492709,2.690355756,13.45177878,0,0,50.0283141,-2.37E-15,1.563384816,-14.18713385,-5.408466389,5.00283141,25.01415705,0,0,0.005270222,1.22E-16,1.65E-04,-0.001494541,-5.70E-04,5.27E-04,0.002635111,0,0,0.223649841,5.02E-16,0.006989058,-0.063423089,-0.024178361,0.022364984,0.111824921,0,0,1.214869486,-4.81E-15,0.037964671,-0.344515227,-0.131337242,0.121486949,0.607434743,0,0,0.116319444,-0.056134259,0.011574074,-0.012567371,4.69E-05,-0.012152778,0.043402778,0,0,-0.141044462,0.022715624,-0.221298593,-0.063661312,0.055532024,0.407428825,0,0,8.03E-16,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,-4.73E-17,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,2.32E-14,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,2.24E-15,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,-3.96E-15,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,-0.482587065,0.099502488,-0.10804188,4.03E-04,-0.104477612,0.373134328,0,0,1.579552337,1.033206363,1.301947932,0.935283409,0.71234121,1.65E-08,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,2.021558872,0.691334992,1.127199822,0.9370714,1.098507463,0,0,0,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,-7.11E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,-7.11E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,-7.11E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,-7.11E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,-7.11E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,-7.11E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,37.20496431,18.47227382,26.04610392,37.00965181,4.626206476,18.47227385,-0.260416667,0.005144078,6.43E-04,-4.215927241,28.64086191,3.580107739,2.683867549,0,11.89,12.11011416,-0.161880726,0.059276977,5.973360367,8.397172559,8,24,24,24,8,0,0,0,0,0,17.491312,3.709959766,2.974675559,2.789753075,2.259537733,2.158317772,1.617870431,0.918016251,0.809020034,1.845648904,1.813613019,1.410733491,1.157249124,1.096183233,0.563489532,0.402453794,0.276394959,3.731262013,3.013413722,2.836186318,2.330024954,2.225457131,1.699767002,1.045547554,0.94155887,1.787821245,1.752615835,1.310905386,1.043257925,0.981528758,0.42111061,0.249176885,0.109489703,3.825638152,3.185923174,3.040102369,2.62464957,2.50910004,2.040789505,1.545899363,1.459674177,1.621444011,1.575108587,0.997363948,0.673418052,0.610271012,0.054593717,0.26888121,0.473701747,3.746988301,3.042112654,2.870443191,2.38119944,2.2743801,1.759183913,1.136224802,1.035689916,1.751312057,1.713926185,1.245574763,0.967752621,0.905628807,0.325740607,0.146064012,0.003994699,3.872123288,3.270309035,3.138028166,2.758192334,2.639170421,2.194280813,1.75665822,1.676939727,1.570816098,1.5204722,0.893609066,0.546446869,0.483241901,0.222854153,0.454365585,0.692822975,3.713827145,3.143134573,3.000480537,2.547995964,2.352058575,1.828505304,1.260306994,1.164918264,1.742149051,1.699539474,1.059598102,0.791295033,0.753238401,0.201557105,0.011910874,0.171137606,0,0,0,0,0,3,2,3,0,0,0,0.096225045,0.288675135,0.288675135,0,0,0.096225045,0.288675135,0.288675135,0.760079655,0,0.166666667,0,0.760079655,0,0.166666667,0,1.410236714,1.743689791,1.619316155,1.410236714,1.743689791,1.619316155,6.14626437,3.698377303,3.531144005,2.519712423,1.830194132,0.849515796,0.096225045,0,0.768283046,0.462297163,0.321013091,0.209976035,0.140784164,0.106189475,0.096225045,0,6.14626437,3.698377303,3.531144005,2.519712423,1.830194132,0.849515796,0.096225045,0,0.768283046,0.462297163,0.321013091,0.209976035,0.140784164,0.106189475,0.096225045,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.6885,36.726,27.25514403,36.68482962,54.51028806,6.813786007,27.25514403,7.44E-17,9.30E-18,-29.70985711,3000014.366,375001.7957,11.93130211,51,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,7.099537037,0,2.918981481,0,0,0,2.981481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.361111111,0,1.459490741,0,0,0,0.990740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.369212963,0,1.459490741,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13,1.625,0.2,2.369212963,0.2,0.990740741,5.741078704,0.342592593,0.369212963,2.199074074,0.342592593,0.369212963,2.199074074,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.375,0.375,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.75603,1.0945,8.75603,0,0,3.69836,0.46229,3.69836,0,0,0.21564,0.02696,0.30164,0.03771,0.208333333,8,0,0,0,0,0,0,1,0.918295834,1.438721876,2.5,2.729573959,2.677694271,2.344360938,22.03910002,34.52932501,60,65.509775,64.26466251,56.26466251,0.200284263,0.313791416,0.54526073,0.595331796,0.584016613,0.511315182,3.666666667,3.146240625,2.084962501,1.855388542,1.90726823,2.240601563,0.200284263,0.313791416,0.54526073,0.595331796,0.584016613,0.511315182,6.73287657,12.97798907,15.30933029,16.80245923,12.3946273,16.41423191,31.59900002,23.32456251,22.69022552,20.3349625,26.92932344,20.36340886,6.125,2.082644628,1.25,0,0,0,2.34,1.1272,0.825481812,2.620741394,4.734706513,0,0.5,4.762203156,0,1.889881575,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.124,0.16,0.203,3.438,11,12,13,8,1,0,0,0,0,61,2.197224577,2.48490665,2.564949357,2.63905733,2.197224577,0.693147181,0,0,0,0,4.127134385,1,0.25,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.375,0,3,4,0.333333333,2.5,1.111111111,0.916666667,0,0,0,0,0,0,0,0.3125,0.101010101,0.130952381,0,0,0,0,0,0,0,0.544462482,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,0,134.567877,4,3.663561646,4.442651256,5.283203729,6.084499413,6.922643891,7.732369222,8.566554621,9.380842352,10.21181748,78.28814361,2.833213344,0,4.110873864,2.397895273,5.549076085,4.727387819,7.053585727,6.741700695,8.593598523,8.969669104,112.1252005,4.671883355,15.32137541,1.915171927,0,0,0,59,7,4.369,38,1.331436567,2.358361545,3.279285159,3.986659752,4.975326236,5.674044563,0,0,0,0,94.01800751,110.9254429,86.02028999,44.41374562,20.78559136,5.765192415,0,0,0,0,334.770918,438.8792018,438.9113632,336.42671,273.296201,176.3705511,0,0,0,0,9.725938808,16.89728046,23.20197353,27.65788376,33.9926881,38.12086413,0,0,0,0,2.47012952,3.449198026,3.821889122,3.365765379,3.160836173,2.522753436,0,0,0,0,188.3541604,357.0938094,516.2513494,668.5971086,874.930815,1049.230998,0,0,0,0,2.584740423,3.878764456,5.250351723,5.651424724,6.393621019,5.674044563,0,0,0,0,0.509638069,0.720744621,0.812832577,0.733010447,0.704630769,0.581022163,0,0,0,0,327.3620703,132.7306996,8.143004937,54.06023186,-21.91900971,-2.960671572,273.3018384,154.6497094,11.10367651,0.858266725,0.347988827,0.021349053,0.141733275,-0.057466513,-0.007762188,124.8631945,50.62644902,3.105923689,20.61977809,-8.360399145,-1.129266167,0.07369617,0.153662443,1.033616691,1.333763547,381.4223021,0,1,0,402.4237007,20.06050101,7.38291469,557.416278,23.60966493,8.229874559,678.7063059,26.05199236,8.788079184,1.143840019,1.143840019,504.8039812,343.0230298,256.6607766,1.471632915,1.966813893,1.336484033,4.45556251,4.525938565,6.633864241,0.465743325,4.462408855,4.441365945,2.849731313,11.09929336,14.6170238,7.588478565,10.59855789,9.921360101,12.05420857,8.860624961,2.481297131,2.229090216,1.51E-06,2.63E-33,8.84E-82,5.74E-152,7.18E-244,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,4.441098491,0.752244398,3.948087292,2.095911545,2.513329025,1.226624194,0.550878334,1.693386836,0.378604623,0.075491602,0.015699665,1.06E-08,1.85E-35,6.23E-84,4.04E-154,5.06E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,4.441116993,1.028349705,4.991303778,3.680015242,3.221241277,2.525877129,1.839978855,2.905278833,1.462694883,0.331166529,0.163602611,1.11E-07,1.93E-34,6.49E-83,4.21E-153,5.27E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,4.441336804,2.667539193,10.51415876,13.50672713,7.161733995,9.807687386,9.127091742,11.10048469,8.112378744,2.250738268,1.986079251,1.34E-06,2.34E-33,7.88E-82,5.11E-152,6.39E-244,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,4.44114041,1.263030123,5.831105812,5.055977221,3.80460092,3.600011152,2.910070028,4.005315954,2.399076996,0.576574861,0.355366732,2.40E-07,4.19E-34,1.41E-82,9.14E-153,1.14E-244,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,4.441488339,3.585376092,13.43308019,19.11826983,9.300284906,13.77332729,13.11266917,15.94812098,11.89103693,3.429507799,3.250918587,2.20E-06,3.83E-33,1.29E-81,8.36E-152,1.05E-243,0,0,0,0,0,0,0,0,0,0,0,0,0,2.957336046,4.08214556,1.451100383,7.019885068,8.005752679,4.53344874,6.120048225,4.914519393,7.596967988,4.826370668,1.225438266,0.844152509,5.71E-07,9.95E-34,3.35E-82,2.17E-152,2.72E-244,0,0,0,0,0,0,0,0,0,0,0,0,0,3.473493917,2.581151968,0.919927354,0.498022431,0.370080273,0.56703395,0.537406891,0.426973145,6.974573239,14.53545003,29.75773835,0.302154055,1.531413986,2.636070169,1.867089519,0.423791417,0.535030714,0.378954343,0.326746537,0.286568651,0.092758987,4.926951105,6.83017941,13.8429382,0.370977586,0.706074175,2.968627301,2.149679155,0.621893697,0.517164423,0.374495505,0.414289512,0.376449222,0.198181373,5.740200153,9.564638754,19.27351338,0.337489892,0.988920107,3.452757854,2.563379572,0.907742458,0.498673852,0.370222998,0.560289144,0.530206608,0.416022367,6.923879884,14.31183233,29.26989466,0.303345276,1.506518119,3.116879717,2.276096715,0.709722295,0.51073793,0.372965604,0.456660903,0.420625557,0.25702138,6.102698727,10.9218353,22.05953087,0.325555301,1.134307841,3.538414099,2.636819068,0.958047431,0.496043027,0.369650266,0.58841155,0.560278564,0.462091132,7.133280598,15.24632404,31.31833832,0.298539939,1.610781247,3.468068839,2.57287782,0.909423127,0.498976162,0.370178552,0.5651127,0.53377728,0.416865722,6.950369786,14.416694,29.48177122,0.30373207,1.515755701 +UMLMON0274,L,"l,cis-2,trans-4-trimetmyl-cyclopentane",C[C@@H]1C[C@H](C[C@@H]1C)C,252323,Sandia values from independent api report ,Sandia,,C8H16,UML,"1,cis-2,trans-4-trimethyl-cyclopentane",79.5,0,2.1151,4.47364801,45.7868,22.50793,0,0,19,9,10,0,9,0,0,0,0,0,0,0,0,0,1308.537729,1419.447969,1651.509898,1392.276152,924.178589,608.387979,274.479577,55.5408,3.048192,4122.48956,4959.018279,6278.942729,5816.80088,4233.124071,3063.365801,1850.636765,676.5326765,93.25123329,135.049284,139.040964,216.560296,249.306848,212.050868,162.57918,139.183012,75.499776,20.155392,29.54622905,36.2355431,48.15309198,47.02544513,35.7627251,26.62399777,17.92585924,7.566467574,1.333838715,2990.325725,2672.374682,4425.779828,5403.024471,4748.191412,3633.604648,3322.278701,1906.913755,554.7529561,44.77777778,54,74,75.66666667,59.66666667,46,33,15,3,68.87040679,74.70778784,55.05032993,39.77931863,30.80595297,26.45165126,13.72397885,5.049163636,1.016064,216.9731347,261.0009621,209.298091,166.1943109,141.1041357,133.1898174,92.53183827,61.50297059,31.08374443,7.107857053,7.317945474,7.218676533,7.1230528,7.068362267,7.06866,6.9591506,6.863616,6.718464,1.555064687,1.907133847,1.605103066,1.343584147,1.192090837,1.15756512,0.896292962,0.687860689,0.444612905,157.3855645,140.651299,147.5259943,154.3721278,158.2730471,157.9828108,166.1139351,173.3557959,184.917652,2.356725146,2.842105263,2.466666667,2.161904762,1.988888889,2,1.65,1.363636364,1,0.059541121,-0.002941259,-0.022583921,-0.005582548,-0.002376537,-0.006324647,-6.83E-04,0.005685963,0.005035755,573.4705689,3.91E-13,-96.24915397,-87.86508132,-70.76157313,-158.9620174,-23.81076631,69.4201215,81.49318611,1066.393011,-2.84E-14,-178.9794118,-163.3888707,-131.5841669,-295.5966592,-44.27713672,129.0896803,151.5400595,0.112338947,9.37E-16,-0.018854548,-0.017212166,-0.013861706,-0.031139568,-0.004664366,0.013598925,0.015963956,4.767272928,8.22E-15,-0.800121246,-0.730424273,-0.588242449,-1.321454601,-0.197939402,0.577090933,0.677454574,25.89590221,5.55E-14,-4.346271306,-3.967676245,-3.195342319,-7.178162367,-1.075209975,3.134767109,3.679943998,4.49122807,-0.362573099,-0.72299169,-0.58910434,-0.009541397,-1.337334564,-0.312403817,0.464142813,0.624192059,0.003133743,-1.55E-04,-7.53E-04,-1.60E-04,-7.92E-05,-2.75E-04,-3.42E-05,5.17E-04,0.001678585,30.18266152,2.06E-14,-3.208305132,-2.510430895,-2.358719104,-6.911392059,-1.190538316,6.310920137,27.16439537,56.12594795,-1.50E-15,-5.965980393,-4.668253448,-4.386138895,-12.85202866,-2.213856836,11.73542548,50.51335315,0.005912576,4.93E-17,-6.28E-04,-4.92E-04,-4.62E-04,-0.001353894,-2.33E-04,0.001236266,0.005321319,0.250909101,4.32E-16,-0.026670708,-0.020869265,-0.019608082,-0.057454548,-0.00989697,0.052462812,0.225818191,1.362942221,2.92E-15,-0.14487571,-0.113362178,-0.106511411,-0.312094016,-0.053760499,0.284978828,1.226647999,0.236380425,-0.019082795,-0.024099723,-0.016831553,-3.18E-04,-0.058144981,-0.015620191,0.042194801,0.20806402,-0.049398784,-0.240223054,-0.050898032,-0.025279001,-0.087749587,-0.010903352,0.164948331,0.535648525,6.81E-16,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,-2.67E-17,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,8.34E-15,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,1.72E-15,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,2.14E-15,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,-0.080729167,-0.101953125,-0.071205357,-0.001345486,-0.245980525,-0.066080729,0.178503788,0.880208333,1.031178003,1.173701408,1.012748308,1.043998422,1.095532648,0.862302711,0.585901658,0.180736288,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1.08984375,1.046484375,1.005133929,0.9203125,1.219769022,1.001953125,0.728693182,0,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,35.86316424,17.61124769,27.02949208,35.84670333,3.982967037,17.6112478,-0.02962963,0.173747988,0.019305332,-1.575134436,63.76202664,7.084669626,3.739642037,0,11.85,12.15009716,-0.207938173,0.092233994,5.456042062,8.612755408,9,19,15,15,5,4,4,0,0,4,10.93207,3.765428653,3.258839911,2.64911457,2.625632713,2.020475955,0.932607949,0.926938202,0.705636383,1.952505542,1.650956488,1.152402844,1.102295258,0.801603097,0.305911373,0.298796655,0.228496171,3.776691301,3.282125781,2.675203415,2.656953789,2.079793726,1.042649032,1.040358538,0.841603787,1.921759287,1.588063217,1.071392144,1.028724763,0.698724205,0.145009386,0.137862753,0.059540287,3.828060316,3.390255786,2.804946338,2.79848862,2.32886479,1.509333156,1.504217428,1.375970038,1.838735379,1.412948404,0.83613095,0.824694856,0.376126744,0.404709933,0.410437301,0.529562477,3.785078284,3.299589378,2.694893082,2.680630738,2.122918188,1.123129086,1.122815948,0.938483976,1.902900841,1.548795732,1.019796144,0.982818829,0.631647147,0.03633571,0.02924343,0.055298127,3.854384749,3.446236968,2.881717314,2.863278479,2.442783452,1.714330405,1.707986516,1.600004556,1.814727766,1.361976954,0.766049172,0.765965708,0.26770109,0.603646471,0.607690939,0.749546954,3.781442792,3.330074143,2.728739464,2.686701954,2.168972452,1.202484343,1.195717719,1.025879058,1.899605372,1.504204009,0.988912544,0.933462583,0.574045556,0.05884255,0.063790468,0.154431551,0,0,0,7,1,1,0,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.018518519,0.204124145,0,0,0,0.096225045,0,0,0,0.433012702,0.65464793,0.637136847,0.166666667,0.21593063,0.175261141,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,5.541451884,3.11004234,1.910683603,1.158689248,0.75660012,0.431861261,0.138224104,0.05842038,0.615716876,0.34556026,0.19106836,0.105335386,0.06305001,0.035988438,0.023037351,0.014605095,11.70913902,18.43918427,17.62745098,17.8,12.99277246,142.1120539,0.616270475,0.970483383,0.927760578,0.936842105,0.683830129,7.479581784,2.53699,40.088,37.50463196,54.26687178,75.00926391,8.334362657,37.50463196,0.136437528,0.015159725,-1.792699594,35.3218919,3.924654656,3.208052645,81,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,1,0,7,0,0,0,0,0,0,0,0,1,0,0,0,7,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.64583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.020731293,0,0,0,0.344893707,0,3.020731293,0,0,0,0,0,0,0,0,2.020833333,0,0,0,14.38194444,0,0,0,0,1.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.3875,0,0,0,0.344893707,0,0.3875,0,0,0,0,0,0,0,0,2.020833333,0,0,0,2.020833333,0,0,0,0,1.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.444897959,0,0,0,0.344893707,0,0.444897959,0,0,0,0,0,0,0,0,2.020833333,0,0,0,2.083333333,0,0,0,0,1.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.66666667,1.962962963,0.444897959,2.083333333,0.234375,1.263888889,4.721736111,0.402777778,0.083333333,0.805555556,0.402777778,0.083333333,0.805555556,4.5,0.5,0,0,0.48947,0.7,0.43333,0.43333,0.7,0.05614,0.05614,0,0,0.71429,0,0,0.11111,0.11111,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,4.35638,0.48404,9.45555,5.09916,0.56657,1.99494,0.22166,4.43185,2.4369,0.27077,-0.01785,-0.00198,0.06815,0.00757,0.315789474,9,0,0,0,0,0,0,0.111111111,0.998000884,2.147077673,2.825845934,3.536886724,3.787143961,3.576617645,18.96201679,40.79447579,53.69107275,67.20084775,71.95573525,67.95573525,0.234938304,0.505441222,0.665229321,0.83261466,0.891527445,0.841967673,3.24992663,2.10084984,1.422081579,0.71104079,0.460783553,0.671309869,0.220622795,0.474643145,0.624694867,0.781880907,0.837203955,0.790664012,6.618775012,15.30911556,21.05820864,24.52568468,24.77790019,22.2515844,32.44785067,27.90620421,21.67273602,17.14653427,16.55585519,19.39534258,7.111111111,3.92,2.380165289,3,8,3,2.45,1.0961,0,2.085481947,0.333333333,0,9.563073858,4.445544946,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.155,0.148,0.653,0.8,4.358,10,11,12,12,6,4,2,0,0,75,2.63905733,2.995732274,3.433987204,3.80666249,4.17438727,3.713572067,3.713572067,3.218875825,0,0,5.648974238,3.773333333,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,2,0.222222222,0,3,6,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.04,0,0,0,0,0.111111111,0.044444444,0.0234375,0.030222222,0.030092593,0.04,0,0,0,0,0.27930787,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,0,130.4180268,4.169925001,3.663561646,4.394449155,5.153291594,5.905361848,6.673297968,7.430707083,8.200562797,8.959440144,9.729669736,78.11034197,2.944438979,0,4.077537444,0,5.433722004,0,6.886531643,0,8.379997952,8.639410824,118.0782503,6.214644754,17.70058553,1.966731726,0,0,0,94,8,3.461,38,1.240730216,2.212510785,3.085702479,4.000435977,4.685910127,5.0900472,5.840493447,6.438982046,0,0,103.316672,133.0998813,128.6705423,128.6362996,128.636087,73.23570253,28.93098914,6.542417854,0,0,348.6554645,492.0359492,533.7651429,578.1424989,633.49492,488.0208551,354.9943797,200.1476723,0,0,9.113592857,16.02367521,22.04329066,28.30041882,33.12821544,35.49074092,40.06679951,43.26006907,0,0,2.500924977,3.717975493,4.285951135,4.846932312,5.469291048,4.688584002,3.983753994,2.862854512,0,0,172.3937219,322.8405634,471.5288031,631.5477142,740.1638343,840.1750749,1014.084804,1190.681441,0,0,3.667517614,5.649490125,6.85739822,8.071687385,9.420118593,8.581344949,7.913942572,6.438982046,0,0,0.513239767,0.7708777,0.899024408,1.025174862,1.161959366,1.014243257,0.883373129,0.659351762,0,0,270.9950913,138.3445802,13.2918813,165.2626634,-84.36755694,-9.671759729,105.7324279,222.7121372,22.96364103,0.621181144,0.31711661,0.030467954,0.378818856,-0.193389243,-0.022169829,118.2237101,60.35389594,5.798686293,72.09711848,-36.80600096,-4.219380183,0.122121285,0.169540335,2.199080383,3.257738909,436.2577547,0,1,0,653.2020165,25.55781713,8.676591924,754.5837685,27.46968818,9.104074851,1074.501706,32.77959283,10.24241503,1.38113944,1.375141106,567.5774465,454.2657342,133.4654604,1.249439268,4.252616705,3.403620178,4.160564669,4.150853919,7.411394112,0.785510706,4.616374001,4.080124111,3.24197037,12.71282661,4.900615824,7.183308186,5.906246057,3.205141904,4.216565368,4.274930604,1.893512324,2.235515017,5.49E-04,0.742765287,9.09E-16,3.42E-52,2.50E-110,3.54E-190,9.65E-292,0,0,0,0,0,0,0,0,0,0,0,0.387425299,4.07606928,0.218169338,6.882705677,1.794749093,0.543854975,0.439694833,1.693564793,0.829439271,0.497776893,0.033499693,0.112548334,3.86E-06,0.005231357,6.40E-18,2.41E-54,1.76E-112,2.49E-192,6.80E-294,0,0,0,0,0,0,0,0,0,0,0,1.250643887,4.076340288,0.739797071,7.374647836,2.291853334,1.785909601,1.39791973,1.962612701,1.334328655,1.117762754,0.190777101,0.412780858,4.03E-05,0.05451477,6.67E-17,2.51E-53,1.84E-111,2.60E-191,7.08E-293,0,0,0,0,0,0,0,0,0,0,0,4.357480792,4.079678946,3.023037262,12.10894266,4.662057038,6.736799448,5.51582883,3.098631434,3.943232089,3.99027301,1.700969177,2.058458526,4.89E-04,0.661790499,8.10E-16,3.04E-52,2.23E-110,3.15E-190,8.60E-292,0,0,0,0,0,0,0,0,0,0,0,1.843216386,4.076691614,1.126262149,7.919633961,2.673739162,2.672152386,2.102510163,2.159033194,1.736293693,1.588202123,0.364775551,0.658404258,8.74E-05,0.118413364,1.45E-16,5.45E-53,3.99E-111,5.64E-191,1.54E-292,0,0,0,0,0,0,0,0,0,0,0,5.574939026,4.081995956,4.090979126,15.22915085,5.838868735,8.881998487,7.415095337,3.615367305,5.303506089,5.389547296,2.695741927,2.944542659,8.00E-04,1.083253365,1.33E-15,4.98E-52,3.65E-110,5.16E-190,1.41E-291,0,0,0,0,0,0,0,0,0,0,0,2.396112915,3.937849457,1.488864392,8.384953089,2.962350294,3.345129347,2.740072564,2.408209234,2.162622977,2.058432352,0.559475743,0.906945751,1.42E-04,0.192764647,2.36E-16,8.87E-53,6.50E-111,9.18E-191,2.50E-292,0,0,0,0,0,0,0,0,0,0,0,5.096991885,1.877720099,0.21884152,0.708549937,0.261028169,0.573981875,0.52925869,0.274382451,7.193553503,11.09708067,20.38510598,0.562824906,1.377623015,3.822543984,1.056348804,0.086948435,0.769767661,0.212723033,0.324895496,0.169509908,0.041926865,4.965841223,4.46215186,9.779085628,0.654651492,0.53633227,4.242455681,1.330592204,0.130656968,0.743807015,0.233285599,0.3989484,0.268739791,0.096103803,5.703704853,6.373135993,12.81439661,0.615710523,0.763791994,5.055072744,1.85117298,0.214535365,0.709904248,0.259967686,0.564627751,0.514783643,0.263525096,7.120781089,10.83944802,19.96781117,0.564856372,1.342936489,4.461677972,1.472239375,0.153367655,0.732950399,0.241854846,0.440724477,0.32838878,0.133173432,6.087285002,7.478728981,14.57343366,0.599425599,0.902286689,5.232890912,1.963601392,0.232789637,0.704360254,0.264305677,0.604855484,0.577321271,0.311070886,7.429281941,11.95058071,21.77184877,0.55654038,1.493247641,5.055105257,1.849275969,0.21416147,0.710132041,0.259782943,0.564643084,0.513785695,0.262530766,7.118542696,10.82693711,19.94752219,0.565198062,1.340959545 +UMLMON0275,L,cis-l-propenyl benzene,C/C=C\C1=CC=CC=C1,252324,Sandia values from independent api report ,Sandia,,C9H10,UML,,91.7,0,2.1151,4.47364801,45.7868,22.50793,0,0,19,9,10,0,9,0,0,0,0,0,0,0,0,0,1308.537729,1419.447969,1651.509898,1392.276152,924.178589,608.387979,274.479577,55.5408,3.048192,4122.48956,4959.018279,6278.942729,5816.80088,4233.124071,3063.365801,1850.636765,676.5326765,93.25123329,135.049284,139.040964,216.560296,249.306848,212.050868,162.57918,139.183012,75.499776,20.155392,29.54622905,36.2355431,48.15309198,47.02544513,35.7627251,26.62399777,17.92585924,7.566467574,1.333838715,2990.325725,2672.374682,4425.779828,5403.024471,4748.191412,3633.604648,3322.278701,1906.913755,554.7529561,44.77777778,54,74,75.66666667,59.66666667,46,33,15,3,68.87040679,74.70778784,55.05032993,39.77931863,30.80595297,26.45165126,13.72397885,5.049163636,1.016064,216.9731347,261.0009621,209.298091,166.1943109,141.1041357,133.1898174,92.53183827,61.50297059,31.08374443,7.107857053,7.317945474,7.218676533,7.1230528,7.068362267,7.06866,6.9591506,6.863616,6.718464,1.555064687,1.907133847,1.605103066,1.343584147,1.192090837,1.15756512,0.896292962,0.687860689,0.444612905,157.3855645,140.651299,147.5259943,154.3721278,158.2730471,157.9828108,166.1139351,173.3557959,184.917652,2.356725146,2.842105263,2.466666667,2.161904762,1.988888889,2,1.65,1.363636364,1,0.059541121,-0.002941259,-0.022583921,-0.005582548,-0.002376537,-0.006324647,-6.83E-04,0.005685963,0.005035755,573.4705689,3.91E-13,-96.24915397,-87.86508132,-70.76157313,-158.9620174,-23.81076631,69.4201215,81.49318611,1066.393011,-2.84E-14,-178.9794118,-163.3888707,-131.5841669,-295.5966592,-44.27713672,129.0896803,151.5400595,0.112338947,9.37E-16,-0.018854548,-0.017212166,-0.013861706,-0.031139568,-0.004664366,0.013598925,0.015963956,4.767272928,8.22E-15,-0.800121246,-0.730424273,-0.588242449,-1.321454601,-0.197939402,0.577090933,0.677454574,25.89590221,5.55E-14,-4.346271306,-3.967676245,-3.195342319,-7.178162367,-1.075209975,3.134767109,3.679943998,4.49122807,-0.362573099,-0.72299169,-0.58910434,-0.009541397,-1.337334564,-0.312403817,0.464142813,0.624192059,0.003133743,-1.55E-04,-7.53E-04,-1.60E-04,-7.92E-05,-2.75E-04,-3.42E-05,5.17E-04,0.001678585,30.18266152,2.06E-14,-3.208305132,-2.510430895,-2.358719104,-6.911392059,-1.190538316,6.310920137,27.16439537,56.12594795,-1.50E-15,-5.965980393,-4.668253448,-4.386138895,-12.85202866,-2.213856836,11.73542548,50.51335315,0.005912576,4.93E-17,-6.28E-04,-4.92E-04,-4.62E-04,-0.001353894,-2.33E-04,0.001236266,0.005321319,0.250909101,4.32E-16,-0.026670708,-0.020869265,-0.019608082,-0.057454548,-0.00989697,0.052462812,0.225818191,1.362942221,2.92E-15,-0.14487571,-0.113362178,-0.106511411,-0.312094016,-0.053760499,0.284978828,1.226647999,0.236380425,-0.019082795,-0.024099723,-0.016831553,-3.18E-04,-0.058144981,-0.015620191,0.042194801,0.20806402,-0.049398784,-0.240223054,-0.050898032,-0.025279001,-0.087749587,-0.010903352,0.164948331,0.535648525,6.81E-16,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,-2.67E-17,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,8.34E-15,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,1.72E-15,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,2.14E-15,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,-0.080729167,-0.101953125,-0.071205357,-0.001345486,-0.245980525,-0.066080729,0.178503788,0.880208333,1.031178003,1.173701408,1.012748308,1.043998422,1.095532648,0.862302711,0.585901658,0.180736288,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1.08984375,1.046484375,1.005133929,0.9203125,1.219769022,1.001953125,0.728693182,0,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,35.86316424,17.61124769,27.02949208,35.84670333,3.982967037,17.6112478,-0.02962963,0.173747988,0.019305332,-1.575134436,63.76202664,7.084669626,3.739642037,0,11.85,12.15009716,-0.207938173,0.092233994,5.456042062,8.612755408,9,19,15,15,5,4,4,0,0,4,10.93207,3.765428653,3.258839911,2.64911457,2.625632713,2.020475955,0.932607949,0.926938202,0.705636383,1.952505542,1.650956488,1.152402844,1.102295258,0.801603097,0.305911373,0.298796655,0.228496171,3.776691301,3.282125781,2.675203415,2.656953789,2.079793726,1.042649032,1.040358538,0.841603787,1.921759287,1.588063217,1.071392144,1.028724763,0.698724205,0.145009386,0.137862753,0.059540287,3.828060316,3.390255786,2.804946338,2.79848862,2.32886479,1.509333156,1.504217428,1.375970038,1.838735379,1.412948404,0.83613095,0.824694856,0.376126744,0.404709933,0.410437301,0.529562477,3.785078284,3.299589378,2.694893082,2.680630738,2.122918188,1.123129086,1.122815948,0.938483976,1.902900841,1.548795732,1.019796144,0.982818829,0.631647147,0.03633571,0.02924343,0.055298127,3.854384749,3.446236968,2.881717314,2.863278479,2.442783452,1.714330405,1.707986516,1.600004556,1.814727766,1.361976954,0.766049172,0.765965708,0.26770109,0.603646471,0.607690939,0.749546954,3.781442792,3.330074143,2.728739464,2.686701954,2.168972452,1.202484343,1.195717719,1.025879058,1.899605372,1.504204009,0.988912544,0.933462583,0.574045556,0.05884255,0.063790468,0.154431551,0,0,0,7,1,1,0,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.018518519,0.204124145,0,0,0,0.096225045,0,0,0,0.433012702,0.65464793,0.637136847,0.166666667,0.21593063,0.175261141,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,5.541451884,3.11004234,1.910683603,1.158689248,0.75660012,0.431861261,0.138224104,0.05842038,0.615716876,0.34556026,0.19106836,0.105335386,0.06305001,0.035988438,0.023037351,0.014605095,11.70913902,18.43918427,17.62745098,17.8,12.99277246,142.1120539,0.616270475,0.970483383,0.927760578,0.936842105,0.683830129,7.479581784,2.53699,40.088,37.50463196,54.26687178,75.00926391,8.334362657,37.50463196,0.136437528,0.015159725,-1.792699594,35.3218919,3.924654656,3.208052645,81,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,1,0,7,0,0,0,0,0,0,0,0,1,0,0,0,7,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.64583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.020731293,0,0,0,0.344893707,0,3.020731293,0,0,0,0,0,0,0,0,2.020833333,0,0,0,14.38194444,0,0,0,0,1.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.3875,0,0,0,0.344893707,0,0.3875,0,0,0,0,0,0,0,0,2.020833333,0,0,0,2.020833333,0,0,0,0,1.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.444897959,0,0,0,0.344893707,0,0.444897959,0,0,0,0,0,0,0,0,2.020833333,0,0,0,2.083333333,0,0,0,0,1.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.66666667,1.962962963,0.444897959,2.083333333,0.234375,1.263888889,4.721736111,0.402777778,0.083333333,0.805555556,0.402777778,0.083333333,0.805555556,4.5,0.5,0,0,0.48947,0.7,0.43333,0.43333,0.7,0.05614,0.05614,0,0,0.71429,0,0,0.11111,0.11111,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,4.35638,0.48404,9.45555,5.09916,0.56657,1.99494,0.22166,4.43185,2.4369,0.27077,-0.01785,-0.00198,0.06815,0.00757,0.315789474,9,0,0,0,0,0,0,0.111111111,0.998000884,2.147077673,2.825845934,3.536886724,3.787143961,3.576617645,18.96201679,40.79447579,53.69107275,67.20084775,71.95573525,67.95573525,0.234938304,0.505441222,0.665229321,0.83261466,0.891527445,0.841967673,3.24992663,2.10084984,1.422081579,0.71104079,0.460783553,0.671309869,0.220622795,0.474643145,0.624694867,0.781880907,0.837203955,0.790664012,6.618775012,15.30911556,21.05820864,24.52568468,24.77790019,22.2515844,32.44785067,27.90620421,21.67273602,17.14653427,16.55585519,19.39534258,7.111111111,3.92,2.380165289,3,8,3,2.45,1.0961,0,2.085481947,0.333333333,0,9.563073858,4.445544946,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.155,0.148,0.653,0.8,4.358,10,11,12,12,6,4,2,0,0,75,2.63905733,2.995732274,3.433987204,3.80666249,4.17438727,3.713572067,3.713572067,3.218875825,0,0,5.648974238,3.773333333,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,2,0.222222222,0,3,6,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.04,0,0,0,0,0.111111111,0.044444444,0.0234375,0.030222222,0.030092593,0.04,0,0,0,0,0.27930787,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,0,130.4180268,4.169925001,3.663561646,4.394449155,5.153291594,5.905361848,6.673297968,7.430707083,8.200562797,8.959440144,9.729669736,78.11034197,2.944438979,0,4.077537444,0,5.433722004,0,6.886531643,0,8.379997952,8.639410824,118.0782503,6.214644754,17.70058553,1.966731726,0,0,0,94,8,3.461,38,1.24032323,2.210860374,3.075343682,3.988788975,4.980529484,5.839778136,7.12180992,8.137125432,0,0,103.1822927,132.3657204,130.2794126,137.0149904,146.2387029,88.66620899,36.3572059,8.267840215,0,0,348.3063085,490.1491434,535.2186603,601.5851796,704.0772214,578.1311726,441.0145065,252.9323273,0,0,9.110281854,16.00946159,21.96622864,28.27547513,35.2952192,40.77963243,48.89569341,54.66898428,0,0,2.498830718,3.706820609,4.283499346,4.986556935,6.01175571,5.505565686,4.922818935,3.617870976,0,0,172.3571924,322.7448775,470.3196441,625.5700627,780.4386661,959.221383,1233.466,1504.698129,0,0,3.665463029,5.637558204,6.836713077,8.219121888,10.27919746,10.02193963,9.747445859,8.137125432,0,0,0.512826192,0.768683692,0.898071065,1.052498888,1.274547513,1.18909197,1.090560841,0.833241644,0,0,292.1658915,149.1523976,13.93903133,150.5132459,-76.83789296,-8.815494972,141.6526456,225.9902906,22.7545263,0.659994716,0.336931165,0.031487889,0.340005284,-0.173574688,-0.019913961,129.3357448,66.02665472,6.170518366,66.62907385,-34.01453218,-3.90243571,0.122121285,0.169540335,3.104107322,4.180142888,442.6791374,0,1,0,654.9872404,25.5927185,8.68448921,756.1644081,27.49844374,9.110427238,1059.132424,32.54431478,10.19334573,1.914336166,1.914336166,657.9770389,578.9146307,103.068451,1.136570064,6.383884037,5.616797626,4.252981034,4.594502046,8.31919167,0.810684071,4.526772545,3.993752783,1.959969476,10.87894113,3.895203885,5.717195368,1.527817358,3.787342131,4.643521879,3.601611538,1.91428008,2.337380263,2.856818881,1.504935639,1.588278256,0.038038174,7.42E-21,2.79E-61,2.03E-123,2.84E-207,7.65840807334E-313,0,0,0,0,0,0,0,0,0,0.379908412,3.992025417,0.162985112,6.865687354,0.139274417,1.240995256,0.202877211,1.229458615,0.1936488,0.169431549,1.340837478,0.467760791,0.180581957,0.01259206,0.011192791,2.68E-04,5.23E-23,1.97E-63,1.43E-125,2.00E-209,5.393879427E-315,0,0,0,0,0,0,0,0,0,1.226371789,3.992140904,0.52712495,7.141113326,0.498727738,2.113257636,0.431417522,1.628947532,0.625507679,0.634451026,1.384820946,0.849379711,0.621929653,0.115573329,0.116587125,0.002791787,5.45E-22,2.05E-62,1.49E-124,2.08E-208,5.6208382313E-314,0,0,0,0,0,0,0,0,0,4.272904494,3.993563155,1.849017307,10.44088667,3.521210473,5.428510638,1.431879732,3.58736803,4.202549812,3.308162037,1.853325158,2.222919864,2.655861058,1.342242635,1.41513175,0.033891328,6.61E-21,2.49E-61,1.81E-123,2.53E-207,6.82350371487E-313,0,0,0,0,0,0,0,0,0,1.807442362,3.992290584,0.777886227,7.491639611,0.866390833,2.724338501,0.600746699,1.939595428,1.063434638,1.023615444,1.436709736,1.111352186,0.956056696,0.2461372,0.253227024,0.006064134,1.18E-21,4.45E-62,3.23E-124,4.52E-208,1.2209211732E-313,0,0,0,0,0,0,0,0,0,5.466731669,3.99455013,2.371845075,12.71927666,5.443500309,6.802704599,1.899864721,4.577013566,6.467623398,4.782742344,2.169318519,2.761179726,3.643022804,2.18830764,2.316333636,0.055475101,1.08E-20,4.07E-61,2.96E-123,4.14E-207,1.11690684257E-312,0,0,0,0,0,0,0,0,0,2.349607191,3.871221818,0.994862549,7.813845682,1.26750041,3.261851755,0.727114469,2.252604499,1.544371475,1.420991426,1.546540983,1.367079392,1.283076439,0.397292007,0.41221634,0.009871779,1.93E-21,7.25E-62,5.26E-124,7.36E-208,1.9875327467E-313,0,0,0,0,0,0,0,0,0,6.679408353,1.388178435,0.335128151,0.79491074,0.165205942,0.567540154,0.386817445,0.216803748,8.402714939,11.97588608,23.48597983,0.69236611,1.171161346,4.918330911,0.771177278,0.101798017,0.849261071,0.133161199,0.30771796,0.118746333,0.019415634,5.791306206,4.372085698,10.54950212,0.773891606,0.445879927,5.501589498,0.975366424,0.179301985,0.826528896,0.146533749,0.38502421,0.190316459,0.061027011,6.656257908,6.527396731,14.14580087,0.739793344,0.636367681,6.621873886,1.368003905,0.327530568,0.7961463,0.164474779,0.557803998,0.375600969,0.206956096,8.317408359,11.67567854,22.96010421,0.694219449,1.140361062,5.804818341,1.081597822,0.219488928,0.816900629,0.152211127,0.428636692,0.234253547,0.091934211,7.105905091,7.789970972,16.27393266,0.725350944,0.75482445,6.865779094,1.453534292,0.359731358,0.791075435,0.167476299,0.599657085,0.424292714,0.250283897,8.679044745,12.97236326,25.24139938,0.686613152,1.274233696,6.621476274,1.366798106,0.326815859,0.796320435,0.164375619,0.55773698,0.374930131,0.206028022,8.315090238,11.66091598,22.93376204,0.694480652,1.138695133 +UMLMON0276,L,trans-l-propenyl benzene,C/C=C/C1=CC=CC=C1,252325,Sandia values from independent API report ,Sandia,,C9H10,UML,,92.1,0,3.3677,11.34140329,55.7662,34.45586,0,0,32,12,20,0,12,0,0,0,0,0,0,0,0,0,1751.490732,1973.311212,2927.79549,3266.708274,2312.576458,1350.382326,616.607042,157.563504,15.24096,5703.87771,7376.935148,11103.79617,14058.15311,13208.84286,8680.175966,4492.542824,2008.112646,466.2561665,224.855472,232.838832,428.283144,554.072904,794.949544,770.971992,360.983432,239.537088,100.77696,42.3590581,55.7376862,86.26615854,113.2235887,119.8403962,86.60603569,44.53173037,22.91969713,6.669193573,5219.885314,4583.983227,9222.167083,11443.70914,18120.59952,19281.0037,8704.593706,6122.371673,2773.76478,61.64583333,72.36111111,108.7083333,156.3611111,196.1944444,157.75,85.33333333,49,15,54.73408537,61.66597537,48.7965915,42.42478278,20.46527839,12.05698505,11.85782773,4.5018144,1.016064,178.2461784,230.5292234,185.0632695,182.573417,116.8924147,77.50157113,86.3950543,57.37464704,31.08374443,7.0267335,7.2762135,7.1380524,7.195752,7.034951717,6.8836785,6.941989077,6.8439168,6.718464,1.323720566,1.741802694,1.437769309,1.470436216,1.060534479,0.773268176,0.85637943,0.654848489,0.444612905,163.121416,143.2494759,153.7027847,148.6195992,160.3592878,172.1518188,167.3960328,174.924905,184.917652,1.926432292,2.261284722,1.811805556,2.030663781,1.736234022,1.408482143,1.641025641,1.4,1,0.057527972,-0.002051969,0.008104685,-0.034668044,-0.032582229,0.034626,-0.019248141,0.001475881,0.01557983,907.9950675,-1.20E-12,385.8979037,-641.2715164,-906.1034111,544.7970405,-189.1656391,96.47447592,255.3736127,1688.455601,3.55E-13,717.5936303,-1192.471768,-1684.937985,1013.07336,-351.7615835,179.3984076,474.8781377,0.17787,2.78E-15,0.07559475,-0.125620687,-0.177499437,0.106722,-0.03705625,0.018898687,0.050025937,7.548182136,1.87E-14,3.207977408,-5.330903634,-7.532456757,4.528909282,-1.572537945,0.801994352,2.122926226,41.00184516,-3.97E-13,17.42578419,-28.95755315,-40.91642465,24.6011071,-8.542051076,4.356446049,11.53176895,7.175130208,-2.332248264,2.417073568,-2.100660536,-5.688958062,5.155924479,-1.414794922,-1.016418457,1.39251709,0.001797749,-6.41E-05,1.35E-04,-4.50E-04,-2.88E-04,3.09E-04,-3.70E-04,4.22E-05,0.001038655,28.37484586,-3.75E-14,6.431631728,-8.328201512,-8.018614258,4.86425929,-3.637800751,2.756413598,17.02490752,52.76423752,1.11E-14,11.95989384,-15.48664634,-14.91095562,9.045297861,-6.764645837,5.125668788,31.65854251,0.005558437,8.70E-17,0.001259913,-0.001631437,-0.001570791,9.53E-04,-7.13E-04,5.40E-04,0.003335062,0.235880692,5.85E-16,0.05346629,-0.069232515,-0.066658909,0.04043669,-0.030241114,0.022914124,0.141528415,1.281307661,-1.24E-14,0.290429737,-0.376072119,-0.362092254,0.219652742,-0.164270213,0.124469887,0.768784597,0.224222819,-0.072882758,0.040284559,-0.027281306,-0.050344762,0.04603504,-0.027207595,-0.029040527,0.092834473,-0.035669069,0.075137338,-0.250443362,-0.160388511,0.171971001,-0.205900007,0.023456021,0.577753211,-1.32E-15,0.226666667,-0.293506494,-0.28259587,0.171428571,-0.128205128,0.097142857,0.6,2.10E-16,0.226666667,-0.293506494,-0.28259587,0.171428571,-0.128205128,0.097142857,0.6,1.57E-14,0.226666667,-0.293506494,-0.28259587,0.171428571,-0.128205128,0.097142857,0.6,2.48E-15,0.226666667,-0.293506494,-0.28259587,0.171428571,-0.128205128,0.097142857,0.6,-9.67E-15,0.226666667,-0.293506494,-0.28259587,0.171428571,-0.128205128,0.097142857,0.6,-0.325046124,0.179663067,-0.121670514,-0.224530054,0.205309344,-0.121341774,-0.129516378,0.414027765,1.256488572,1.005558843,1.408769521,1.099375055,0.646008403,1.192514172,0.779921798,0.072883988,1.291666667,0.895555556,1.476190476,1.261946903,0.627380952,0.993589744,0.64952381,0,1.291666667,0.895555556,1.476190476,1.261946903,0.627380952,0.993589744,0.64952381,0,1.291666667,0.895555556,1.476190476,1.261946903,0.627380952,0.993589744,0.64952381,0,1.291666667,0.895555556,1.476190476,1.261946903,0.627380952,0.993589744,0.64952381,0,1.291666667,0.895555556,1.476190476,1.261946903,0.627380952,0.993589744,0.64952381,0,1.655808608,0.51980764,1.200327906,1.323332581,0.541533263,1.269371526,1.234422596,0,57.88035377,28.94017688,42.07355989,57.88035377,4.823362814,28.94017688,-1.07E-14,0.027034187,0.002252849,-4.332783643,67.81869466,5.651557889,5.060205467,57.88035377,28.94017688,42.07355989,57.88035377,4.823362814,28.94017688,-1.07E-14,0.027034187,0.002252849,-4.332783643,67.81869466,5.651557889,5.060205467,57.88035377,28.94017688,42.07355989,57.88035377,4.823362814,28.94017688,-1.07E-14,0.027034187,0.002252849,-4.332783643,67.81869466,5.651557889,5.060205467,57.88035377,28.94017688,42.07355989,57.88035377,4.823362814,28.94017688,-1.07E-14,0.027034187,0.002252849,-4.332783643,67.81869466,5.651557889,5.060205467,57.88035377,28.94017688,42.07355989,57.88035377,4.823362814,28.94017688,-1.07E-14,0.027034187,0.002252849,-4.332783643,67.81869466,5.651557889,5.060205467,57.88035377,28.94017688,42.07355989,57.88035377,4.823362814,28.94017688,-1.07E-14,0.027034187,0.002252849,-4.332783643,67.81869466,5.651557889,5.060205467,79.16465192,39.29899263,59.00201287,78.6924297,6.557702475,39.29899263,-0.566666667,0.090336544,0.007528045,-2.885055848,67.9110234,5.65925195,5.061838043,0,11.89,12.11019763,-0.169516066,0.052747865,6.588522316,11.07194205,12,32,30,30,10,2,2,0,0,2,21.86414,3.801140415,3.393066176,2.89910061,2.796691368,2.473862626,2.231917132,2.216330268,1.849757823,2.038255918,1.723017246,1.47811661,1.431190794,1.293835819,1.123307645,1.094722827,0.796797178,3.815395102,3.41146373,2.936465359,2.838848408,2.535680264,2.301281592,2.284439474,1.921661728,1.999697626,1.667371915,1.39272185,1.340066679,1.187572004,1.010910804,0.983337382,0.673515879,3.880720878,3.498975341,3.10568852,3.027720067,2.79769629,2.591149459,2.569291934,2.224058473,1.894325079,1.517762987,1.14014167,1.065741666,0.847740777,0.645762644,0.623029837,0.281599524,3.826031221,3.425367144,2.964304381,2.870155422,2.580769006,2.351641537,2.333896408,1.973939486,1.975887946,1.633132217,1.338067904,1.281340261,1.117553765,0.936426255,0.909664532,0.592480328,3.914263847,3.545579281,3.189960473,3.120458301,2.918355799,2.722434598,2.698526822,2.36280732,1.863735208,1.475764379,1.062209558,0.979526324,0.733034767,0.520234954,0.499554272,0.149669214,3.782388761,3.524125291,3.031782762,2.89008541,2.646330098,2.593154795,2.375257876,1.99612859,2.045990545,1.573536915,1.288444683,1.203989675,1.019717595,0.856510127,0.677711039,0.53732127,0,0,1,0,3,4,3,0,1,0,0,0,0.058925565,0.210797386,0,0,0,0.044194174,0.154679608,1.562665513,0.144337567,0.719252524,0.144337567,1.258883476,0.125,0.463388348,0.088388348,3.660049158,3.621191225,4.654237548,2.726713562,2.651269389,3.151919866,9.353371151,5.455012907,5.506097793,4.32433312,2.40508429,1.939251017,1.048240148,0.291233373,0.779447596,0.454584409,0.305894322,0.205920625,0.120254214,0.080802126,0.058235564,0.041604768,8.828427125,4.767766953,4.578427125,3.465990258,1.86557765,1.407550955,0.691941738,0.172985435,0.73570226,0.397313913,0.254357062,0.165047155,0.093278883,0.058647956,0.038441208,0.024712205,17.41827804,30.87836854,29.25490196,29.6,19.98554491,243.7679401,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,3.94148,54.606,51.4511151,69.71731123,102.9022302,8.57518585,51.4511151,0.209722751,0.017476896,-1.874362627,83.68365958,6.973638298,5.312452479,108,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,4,5,0,1,0,0,0,0,0,0,0,0,4,1,3,0,0,0,0,0,0,3,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.596542423,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.325522959,0,0,0,1.205416667,1.566352041,0,0.325522959,0,0,0,0,0,0,0,0,9.016096466,4.0874452,3.758796296,0,0,0,0,0,0,4.509097222,0,0,0.378564815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.341990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.325522959,0,0,0,0.269027778,0.302324263,0,0.325522959,0,0,0,0,0,0,0,0,2.160648148,4.0874452,1.216435185,0,0,0,0,0,0,1.341990741,0,0,0.378564815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.0874452,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.325522959,0,0,0,0.333680556,0.333680556,0,0.325522959,0,0,0,0,0,0,0,0,2.338564815,4.0874452,1.283240741,0,0,0,0,0,0,1.591412037,0,0,0.378564815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.75,1.8125,0.333680556,4.0874452,4.17E-04,0.378564815,6.463466733,0.871435185,1.0874452,4.207083333,0.871435185,1.0874452,4.207083333,6,0.5,0,0,0.45,0.7,0.43333,0.43333,0.7,0.01667,0.01667,0,0,0.71429,0,0,0.41667,0.25,0.08333,8,0.66667,6,0.5,2,0.16667,-4,-0.33333,0,0,14.12958,1.17747,17.06361,2.93403,0.2445,4.36301,0.36358,5.45499,1.09199,0.091,0.45901,0.03825,0.54501,0.04542,0.1875,12,0,0,0,0,0,0,0.666666667,0.954434003,2.232236718,3.28768789,3.561278124,3.709868359,4.030639062,30.54188809,71.43157497,105.2060125,113.9609,118.7157875,128.98045,0.190886801,0.446447344,0.657537578,0.712255625,0.741973672,0.806127812,4.045565997,2.767763282,1.71231211,1.438721876,1.290131641,0.969360938,0.187605105,0.438772093,0.646233298,0.700010641,0.72921778,0.792268993,6.794779896,18.90636146,20.65708251,22.56614345,24.34922626,23.29848514,46.68191129,27.18026092,25.2436082,21.79323242,18.84285664,19.34191719,10.08333333,3.395061728,2.040816327,2,2,0,2.78,1.6048,2.519030196,5.259445099,6.077624224,2.305269779,1.650963624,4.797076866,2.381101578,1.310370697,1.650963624,0,0,0,0,0,0,0,0,0,0,0.003,0.155,0.135,0.266,0.514,5.47,18,21,20,24,18,7,0,0,0,132,2.708050201,3.218875825,3.433987204,3.433987204,3.784189634,3.688879454,2.995732274,0,0,0,5.356586275,1.598484848,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.083333333,5,0.416666667,0,3,6,1,4.5,2.666666667,1,0.844444444,0.236111111,0,0,0,0,0,0.375,0.148148148,0.055555556,0.084444444,0.039351852,0,0,0,0,0,0.7025,31.66204238,45.55946024,63.32408475,5.277007063,31.66204238,0.003839657,3.20E-04,-6.674846804,84.77139868,7.064283223,5.327949847,0,198.4788981,4.584962501,4.110873864,4.934473933,5.814130532,6.670766321,7.546974118,8.410720947,9.286096984,10.15140176,11.02661358,91.95205204,3.218875825,0,4.574710979,0,6.137727054,0,7.786967003,0,9.476160198,9.683277195,164.1565006,5.129890645,22.9951463,1.916262192,0,0,0,184,18,4.203,60,1.26778063,2.210929002,3.146902207,3.814751291,4.479516216,5.832421298,6.640528804,7.500782376,0,0,91.06263995,123.8483147,144.2814019,89.29609626,65.08572393,75.20070871,31.52954064,7.621274944,0,0,322.3628239,452.298075,601.1244266,477.2938214,387.8957269,526.3334796,393.3306584,233.1524024,0,0,9.265868608,15.86959194,22.68767967,26.90494391,30.96450726,40.56038285,45.50607464,50.39373636,0,0,2.371550615,3.434604859,4.776802451,4.235102603,3.740134735,5.147539039,4.447158568,3.334944641,0,0,179.0422308,333.6532474,464.8228918,606.8560741,761.3427065,970.85404,1156.906424,1387.027065,0,0,2.920942989,4.201305208,6.507352167,6.777176932,6.663241666,9.824160057,9.455405409,7.500782376,0,0,0.489029417,0.713537873,0.998996613,0.903726949,0.811682136,1.116970671,0.987450467,0.768080115,0,0,352.3821069,213.6882322,10.72758235,81.42055863,-49.37428689,-4.774407955,270.9615482,263.0625191,15.50199031,0.812309686,0.492593175,0.024729176,0.187690314,-0.113817389,-0.011005944,152.8642972,92.69852473,4.653653818,35.32045536,-21.41869726,-2.071150897,0.088139897,0.163554036,2.086323521,2.926682154,433.8026655,0,1,0,760.8810588,27.58407256,9.129330387,955.046405,30.90382509,9.847851507,1484.015673,38.52292399,11.40633605,1.710712933,1.710712933,994.7676144,917.2026151,294.0132045,1.084566919,3.383411354,3.119596675,4.968780539,4.743615834,8.411195525,0.773161196,5.772838505,7.960874131,6.137327496,23.50884395,18.68969896,17.32990566,15.5691777,27.56831653,13.60187804,9.720353145,7.409658906,7.970434505,5.809924235,4.619244184,4.459930816,0.590505092,8.79E-16,3.27E-52,2.35E-110,3.26E-190,8.71E-292,0,0,0,0,0,0,0,0,0,0.482207773,7.283294901,0.51254183,11.20750807,5.869695818,2.271945417,1.575055721,4.858174297,2.446077753,1.6903314,1.155479889,0.464091697,1.008142016,0.265552918,0.03145913,0.004158976,6.19E-18,2.30E-54,1.66E-112,2.29E-192,6.13E-294,0,0,0,0,0,0,0,0,0,1.557863774,7.328572767,1.475940647,13.00212897,7.625688406,4.842467982,3.439256398,7.657797683,3.63720822,2.86734222,1.828679119,1.350542603,1.728355714,0.937697784,0.327455655,0.043339733,6.45E-17,2.40E-53,1.72E-111,2.39E-191,6.39E-293,0,0,0,0,0,0,0,0,0,5.447437698,7.886482107,5.727627308,22.5023462,17.60032969,16.23007805,14.36142543,25.52850163,12.53473492,9.065289607,6.813315356,7.282455313,5.424007087,4.276110941,3.97375075,0.526129406,7.83E-16,2.91E-52,2.09E-110,2.90E-190,7.76E-292,0,0,0,0,0,0,0,0,0,2.297537092,7.387277284,2.19213682,14.44677732,9.086724482,6.756440299,5.013605526,10.12479802,4.777339667,3.812526686,2.469974811,2.150800998,2.299939156,1.463398284,0.71116062,0.094139691,1.40E-16,5.21E-53,3.75E-111,5.19E-191,1.39E-292,0,0,0,0,0,0,0,0,0,6.979368202,8.273682406,7.728468398,27.52319009,23.06892293,21.60416661,20.43952272,35.85830992,17.989251,12.33136803,9.860026619,10.77709537,7.343210272,5.976689528,6.504235101,0.86119618,1.28E-15,4.77E-52,3.43E-110,4.75E-190,1.27E-291,0,0,0,0,0,0,0,0,0,3.469815961,6.248699388,2.853709728,15.11309831,10.00481302,9.014986935,6.690076698,13.60461893,6.998047335,5.136175512,3.895350359,3.753195922,3.740791855,2.328714677,1.357788783,0.179749469,2.68E-16,9.96E-53,7.15E-111,9.91E-191,2.65E-292,0,0,0,0,0,0,0,0,0,6.163361407,1.82305833,1.235170378,0.668362108,0.197694574,0.528615287,0.52312365,0.43707419,9.221590116,21.10075644,44.20092764,0.502543162,1.488813127,4.929078277,1.132640452,0.662267022,0.733059001,0.168447777,0.338505207,0.197422057,0.124239911,6.723985752,9.597349863,20.01868859,0.599588501,0.660167176,5.391123528,1.391342688,0.87812518,0.703747694,0.181623404,0.404628626,0.300666654,0.219931106,7.660591396,13.45675467,27.70407549,0.555621541,0.925226386,6.129804763,1.804316268,1.219736946,0.669641672,0.197109926,0.522876126,0.512154397,0.426195579,9.153857977,20.73764701,43.38192545,0.504462508,1.461226102,5.608564683,1.512987767,0.979085612,0.692360854,0.1867739,0.43783162,0.356972066,0.273957323,8.100638062,15.4582993,31.86715411,0.53854128,1.068761009,6.269506379,1.882332001,1.283945567,0.664439374,0.199488671,0.546979864,0.558601422,0.472329502,9.435783947,22.26780924,46.85581036,0.496659061,1.577910788,6.155794022,1.804955764,1.226224462,0.670056741,0.196469013,0.527310084,0.513410296,0.433522124,9.186974248,20.87260203,43.68407767,0.505085111,1.474242504 +UMLMON0277,L,"1,2,4-trimethyl-4-isopropenylcyclohexene",CC1=C(CC(CC1)(C)C(=C)C)C,252329,,UML,[1],C12H20,UML,,76.2,0,0.5524,0.30514576,33.7512,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1516.485775,813.449451,220.131072,21.337344,0,0,3885.475125,5223.921076,7758.63172,8237.925345,5757.609485,2643.963217,652.758633,0,0,167.819552,174.20624,341.883496,485.2951,497.372268,288.562176,141.087744,0,0,29.42500648,40.12790896,63.51436973,73.84555631,57.77506978,29.37664449,9.336871002,0,0,3973.037281,3464.315612,7404.551417,11080.65075,12249.43814,7257.819716,3883.270693,0,0,36.55555556,44.5,75.19444444,102.5833333,94.33333333,55,21,0,0,48.76541633,56.15943233,37.32917321,21.97805471,11.29790904,5.241216,1.016064,0,0,161.8947969,217.6633782,161.6381608,119.3902224,79.96679841,62.95150517,31.08374443,0,0,6.992481333,7.258593333,7.122572833,7.033262319,6.907948167,6.870528,6.718464,0,0,1.226041937,1.671996207,1.323216036,1.070225454,0.802431525,0.699443916,0.444612905,0,0,165.54322,144.3464838,154.2614879,160.5891412,170.1310852,172.8052313,184.917652,0,0,1.523148148,1.854166667,1.566550926,1.486714976,1.310185185,1.30952381,1,0,0,0.032199942,-0.002797727,-0.003697588,-0.018142177,0.001119485,-0.004814924,0.012232959,0,0,645.6853813,6.61E-13,-80.71067267,-403.5533633,-40.35533633,-80.71067267,282.4873543,0,0,1200.679538,0,-150.0849423,-750.4247115,-75.04247115,-150.0849423,525.297298,0,0,0.126485333,2.94E-15,-0.015810667,-0.079053333,-0.007905333,-0.015810667,0.055337333,0,0,5.367596186,1.23E-14,-0.670949523,-3.354747616,-0.335474762,-0.670949523,2.348323331,0,0,29.15686767,-1.14E-13,-3.644608459,-18.22304229,-1.822304229,-3.644608459,12.75612961,0,0,2.314814815,-0.888888889,0.342592593,-1.233796296,0.768518519,-0.939814815,0.793981481,0,0,0.001341664,-1.17E-04,-7.70E-05,-2.63E-04,1.55E-05,-1.15E-04,5.83E-04,0,0,26.90355756,2.75E-14,-1.681472347,-5.848599469,-0.560490782,-1.921682683,13.45177878,0,0,50.0283141,0,-3.126769631,-10.87572046,-1.042256544,-3.573451007,25.01415705,0,0,0.005270222,1.22E-16,-3.29E-04,-0.0011457,-1.10E-04,-3.76E-04,0.002635111,0,0,0.223649841,5.11E-16,-0.013978115,-0.048619531,-0.004659372,-0.015974989,0.111824921,0,0,1.214869486,-4.74E-15,-0.075929343,-0.264102062,-0.025309781,-0.086776392,0.607434743,0,0,0.096450617,-0.037037037,0.007137346,-0.017881106,0.010673868,-0.022376543,0.037808642,0,0,-0.086886076,-0.057416064,-0.195973098,0.011588896,-0.085446892,0.434178552,0,0,1.02E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,0,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,2.32E-14,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,2.29E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,-3.90E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,-0.384,0.074,-0.185391304,0.110666667,-0.232,0.392,0,0,1.52427482,1.164805064,1.242354694,0.820810083,0.919861694,0.002465251,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.909,0.78775,1.196,0.732166667,1.360285714,0,0,0,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,35.83226547,17.82585496,25.82505281,35.72762192,4.46595274,17.82585502,-0.180555556,0.003886333,4.86E-04,-4.440231442,56.95949686,7.119937107,3.233872347,0,11.89,12.11011416,-0.163184458,0.057757171,5.99173565,8.131494617,8,24,24,24,8,0,0,0,0,0,17.491312,3.657350533,3.042364541,2.853663763,2.228199052,2.17548746,1.377970367,1.099508061,0.848898167,2.009882053,1.585950347,1.461105401,1.122580275,1.066605404,0.622488404,0.413035098,0.330410394,3.680932934,3.078435564,2.895085076,2.297520321,2.243749091,1.481273271,1.209688389,0.983826043,1.957719315,1.506815679,1.37483188,1.009371871,0.952794097,0.47545632,0.259521562,0.166688749,3.784792767,3.239284907,3.077882533,2.587690342,2.531187307,1.901999654,1.656579633,1.505179962,1.805580128,1.271648566,1.11426999,0.642452217,0.585704835,0.021015099,0.262056834,0.403334114,3.698311237,3.105160529,2.925676806,2.347875851,2.293440723,1.555731248,1.289020676,1.079174122,1.924629286,1.45612622,1.31921624,0.934416605,0.877571657,0.376614638,0.156092313,0.055506268,3.83554735,3.318282267,3.166469981,2.719383743,2.662420938,2.08581738,1.850629028,1.722040714,1.758439799,1.19828528,1.031595087,0.516627122,0.460560939,0.199076829,0.450448455,0.616550127,3.693337584,3.202528088,2.992569805,2.501366942,2.414575883,1.676969391,1.403180493,1.232251244,1.913934192,1.349624362,1.230310518,0.753942722,0.722583699,0.2174035,7.08E-04,0.124359124,0,0,0,0,0,2,4,2,0,0,0,0,0.083333333,0.166666667,0,0,0,0.083333333,0.166666667,0.577350269,0,0,0,0.577350269,0,0,0,0.741581624,1.093412989,1.020220057,0.741581624,1.093412989,1.020220057,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,30.91733718,41.28122386,61.83467437,7.729334296,30.91733718,1.11E-16,1.39E-17,-29.38944046,4000010.293,500001.2866,12.16144599,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.741388889,0,5.899814815,0,0,0,2.025462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.472222222,0,0,0,1.012731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.476527778,0,0,0,1.012731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.370694444,0.2,1.012731481,5.7528125,0.320601852,0.370694444,1.482777778,0.320601852,0.370694444,1.482777778,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.42549,1.05319,8.42549,0,0,3.78768,0.47346,3.78768,0,0,0.12632,0.01579,0.21232,0.02654,0.25,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.605388542,3.105388542,3.105388542,3.105388542,22.03910002,34.03910002,62.52932501,74.52932501,74.52932501,74.52932501,0.200284263,0.309336409,0.568246423,0.677298569,0.677298569,0.677298569,3.666666667,3.166666667,1.979573959,1.479573959,1.479573959,1.479573959,0.200284263,0.309336409,0.568246423,0.677298569,0.677298569,0.677298569,6.73287657,12.73287657,16.67730206,17.18121457,17.18121457,17.18121457,31.59900002,23.74937501,20.87142917,19.56315834,19.56315834,19.56315834,6.125,2.52,1.8,0,0,0,2.34,1.1272,0.25,3.039342743,2.309401077,0,3.532775529,5.111544834,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,10,11,10,5,0,0,0,0,62,2.197224577,2.397895273,2.397895273,2.48490665,2.397895273,1.791759469,0,0,0,0,4.143134726,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,2,0.666666667,0.5,0.222222222,0,0,0,0,0,0,0.25,0.066666667,0.071428571,0.074074074,0,0,0,0,0,0,0.462169312,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,0,134.567877,4,3.610917913,4.343805422,5.141663557,5.888877958,6.690842277,7.44132039,8.24407127,8.995288991,9.798182591,76.15497037,2.833213344,0,4.043051268,0,5.451038454,0,6.947937069,0,8.479906607,8.727292029,112.1252005,4.671883355,15.53295821,1.941619777,0,0,0,61,7,4.43,36,1.224166127,2.094794846,2.815360989,3.489894013,4.439762854,5.234822833,0,0,0,0,78.54273178,86.43663066,67.8113012,45.08600372,24.51685715,5.318915027,0,0,0,0,289.3400736,361.1040737,354.6330967,300.4382172,288.8958816,162.7178951,0,0,0,0,8.917064339,14.96718785,19.8493851,24.17740647,30.5483984,35.16996875,0,0,0,0,2.17096299,2.906091803,3.130761575,2.946641408,3.180581352,2.327469786,0,0,0,0,174.752874,319.837531,448.5568451,588.4393715,763.6391302,968.0111471,0,0,0,0,2.316970341,3.363889538,4.261770818,4.721366424,5.924555878,5.234822833,0,0,0,0,0.449298446,0.609779712,0.667645828,0.640414087,0.702831927,0.536045858,0,0,0,0,319.7742077,131.5526727,8.141823588,80.41420178,-33.08178994,-4.13130653,239.3600059,164.6344627,12.27313012,0.799059143,0.328726844,0.020344976,0.200940857,-0.082665537,-0.010323404,127.9699316,52.64585487,3.258263432,32.18083151,-13.2389489,-1.653300989,0.072048215,0.151462109,1.219298384,1.257505672,400.1884095,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,944.3601888,30.73044401,9.810983759,1.450520005,1.450520005,381.2891891,275.4956943,155.7912984,1.384011427,2.447435723,1.768363812,3.772133311,3.780722771,6.119384403,0.618575276,4.463030408,6.04063106,10.54903683,10.27695489,18.11070208,7.982806813,8.977707478,8.889325298,6.051727121,1.418965368,2.063211621,5.11E-07,2.09E-34,1.66E-83,2.53E-154,7.43E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375119018,5.574379929,0.709898736,4.143463853,0.980576918,1.563715784,1.875205062,0.452500548,0.215868777,0.048916832,0.014531368,3.60E-09,1.48E-36,1.17E-85,1.78E-156,5.23E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.209548666,5.605536529,2.36556285,4.903279592,3.501264153,2.643424374,2.573215013,1.406741644,0.88926181,0.204144599,0.15142806,3.75E-08,1.54E-35,1.22E-84,1.85E-155,5.45E-248,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212771325,5.989441044,9.821913408,9.727356866,16.71675408,7.508268493,8.276948801,8.101173223,5.511268929,1.291073351,1.83828441,4.55E-07,1.87E-34,1.48E-83,2.25E-154,6.62E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.782358525,5.645931995,3.606852369,5.57100193,5.521412669,3.453069916,3.275590724,2.289802073,1.505279484,0.347648947,0.328921981,8.15E-08,3.34E-35,2.64E-84,4.03E-155,1.18E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389627238,6.255877998,13.3829241,12.50955793,23.66387409,9.832420878,11.87426607,12.11594233,8.260800307,1.94247179,3.009000246,7.45E-07,3.06E-34,2.42E-83,3.68E-154,1.08E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.967193635,5.314903157,6.001497642,7.323199855,9.59201458,5.152280359,5.42735884,4.72040677,3.229093153,0.767965652,0.822998542,2.04E-07,8.36E-35,6.61E-84,1.01E-154,2.96E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.058983373,1.717931863,0.67707967,0.560870229,0.314985968,0.522422968,0.507720656,0.420623378,5.453994906,8.489477195,17.5016104,0.341305344,1.450767002,2.233968092,1.169777309,0.222885384,0.615989943,0.322552082,0.279600997,0.235449416,0.046118985,3.626630785,3.371890284,7.580975225,0.423984915,0.561169398,2.561347011,1.387521326,0.403532162,0.588490653,0.318794497,0.366920236,0.331241845,0.150505751,4.3524005,5.147418981,10.93394196,0.382735979,0.848667832,3.038531807,1.704364152,0.66585856,0.561780313,0.315112129,0.515490141,0.499735204,0.406921799,5.408754519,8.33686256,17.19394188,0.34267047,1.422147145,2.707405743,1.484562455,0.483937736,0.579012021,0.317491942,0.409710374,0.379182186,0.216003492,4.675905934,6.047964516,12.66896764,0.368518031,1.004896052,3.123018961,1.760407985,0.712203533,0.55811744,0.314604045,0.544431012,0.533129594,0.464948749,5.595630479,8.975781441,18.48695561,0.337176161,1.542509355,3.054454474,1.707393034,0.667643312,0.562567389,0.314466511,0.52083036,0.501525612,0.40879914,5.42949082,8.394369934,17.30572364,0.343851083,1.431155113 +UMLMON0278,L,"trans-1,3-dimethylcyclohexane",C[C@H]1CCC[C@@H](C1)C,252362,Sandia values from independent api report ,Sandia,,C8H16,PubChem,,64.2,0,0.5622,0.31606884,44.4164,34.029446,0,0,33,11,22,0,11,0,0,0,0,0,0,0,0,0,1609.258739,1853.261267,2615.057943,2724.112286,2062.482417,1269.616157,479.541049,88.985232,6.096384,5342.528297,7182.891479,10949.52788,13162.6645,12104.21596,8665.325063,4544.88045,1444.027926,186.5024666,230.751884,239.53358,470.119452,678.83468,817.009668,745.671092,473.9761,223.705152,40.310784,40.45938391,55.17587482,88.59028873,112.9630169,112.5852466,86.49688541,49.07693125,18.01688289,2.667677429,5462.926262,4763.433967,10188.09184,15157.84261,19236.34447,18408.68577,11938.11219,5943.306995,1109.505912,50.84027778,61.875,103.6666667,149.6666667,170.5416667,142.75,87,36.5,6,48.76541633,56.15943233,39.62209005,28.37616965,17.62805485,11.75570516,6.949870275,2.696522182,1.016064,161.8947969,217.6633782,165.9019376,137.1110885,103.4548373,80.23449132,65.8678326,43.758422,31.08374443,6.992481333,7.258593333,7.123022,7.071194583,6.982988615,6.904361963,6.869218841,6.778944,6.718464,1.226041937,1.671996207,1.342277102,1.176698093,0.962267065,0.800897087,0.711259873,0.545966148,0.444612905,165.54322,144.3464838,154.3650279,157.8941939,164.4132006,170.4507941,173.0161187,180.100212,184.917652,1.540614478,1.875,1.570707071,1.559027778,1.457621083,1.321759259,1.260869565,1.106060606,1,0.043875903,-0.006096947,0.001155525,-0.012934501,-0.018074991,0.00178938,-0.001988761,0.010552293,0.003660051,887.8173993,-1.58E-12,40.35533633,-403.5533633,-443.9086997,40.35533633,1.12E-12,242.132018,80.71067267,1650.934365,5.83E-13,75.04247115,-750.4247115,-825.4671826,75.04247115,-5.47E-13,450.2548269,150.0849423,0.173917333,2.49E-15,0.007905333,-0.079053333,-0.086958667,0.007905333,-2.24E-15,0.047432,0.015810667,7.380444756,2.64E-14,0.335474762,-3.354747616,-3.690222378,0.335474762,-2.01E-14,2.01284857,0.670949523,40.09069305,-4.26E-13,1.822304229,-18.22304229,-20.04534652,1.822304229,3.64E-13,10.93382538,3.644608459,3.36026936,-1.398358586,0.710016835,0.011497551,-1.676729415,0.064623508,-0.24508341,0.615109428,0.238789409,0.001329573,-1.85E-04,1.75E-05,-1.35E-04,-1.54E-04,1.66E-05,-2.88E-05,3.20E-04,6.10E-04,26.90355756,-4.80E-14,0.61144449,-4.203680868,-3.79409145,0.373660522,1.62E-14,7.337333879,13.45177878,50.0283141,1.77E-14,1.137007139,-7.816924078,-7.055275065,0.694837696,-7.93E-15,13.64408566,25.01415705,0.005270222,7.54E-17,1.20E-04,-8.23E-04,-7.43E-04,7.32E-05,-3.24E-17,0.001437333,0.002635111,0.223649841,8.01E-16,0.005082951,-0.034945288,-0.031540362,0.003106248,-2.92E-16,0.060995411,0.111824921,1.214869486,-1.29E-14,0.02761067,-0.189823357,-0.171327748,0.016873187,5.28E-15,0.331328042,0.607434743,0.101826344,-0.042374503,0.010757831,1.20E-04,-0.014331021,5.98E-04,-0.003551933,0.01863968,0.039798235,-0.138958903,0.01316811,-0.1013366,-0.116193038,0.012461394,-0.021678103,0.240503146,0.458800393,-1.78E-15,0.022727273,-0.15625,-0.141025641,0.013888889,6.03E-16,0.272727273,0.5,3.53E-16,0.022727273,-0.15625,-0.141025641,0.013888889,-1.58E-16,0.272727273,0.5,1.43E-14,0.022727273,-0.15625,-0.141025641,0.013888889,-6.15E-15,0.272727273,0.5,3.58E-15,0.022727273,-0.15625,-0.141025641,0.013888889,-1.30E-15,0.272727273,0.5,-1.06E-14,0.022727273,-0.15625,-0.141025641,0.013888889,4.34E-15,0.272727273,0.5,-0.41614479,0.105648798,0.00117618,-0.140739813,0.005876336,-0.034882265,0.183053607,0.390844188,1.597675529,1.072280653,1.171884967,1.113816805,0.848441949,0.833755552,0.378802006,0.004555276,1.454545455,1.190082645,1.272727273,1.1002331,0.808080808,0.758893281,0.330578512,0,1.454545455,1.190082645,1.272727273,1.1002331,0.808080808,0.758893281,0.330578512,0,1.454545455,1.190082645,1.272727273,1.1002331,0.808080808,0.758893281,0.330578512,0,1.454545455,1.190082645,1.272727273,1.1002331,0.808080808,0.758893281,0.330578512,0,1.454545455,1.190082645,1.272727273,1.1002331,0.808080808,0.758893281,0.330578512,0,1.963927856,0.751503006,1.072238226,1.246056215,0.865230461,0.84534286,0.396793587,0,56.19452724,28.09726362,41.0630079,56.19452724,5.108593385,28.09726362,1.42E-14,0.018854296,0.001714027,-4.368115921,159.5976451,14.50887683,5.579921523,56.19452724,28.09726362,41.0630079,56.19452724,5.108593385,28.09726362,1.42E-14,0.018854296,0.001714027,-4.368115921,159.5976451,14.50887683,5.579921523,56.19452724,28.09726362,41.0630079,56.19452724,5.108593385,28.09726362,1.42E-14,0.018854296,0.001714027,-4.368115921,159.5976451,14.50887683,5.579921523,56.19452724,28.09726362,41.0630079,56.19452724,5.108593385,28.09726362,1.42E-14,0.018854296,0.001714027,-4.368115921,159.5976451,14.50887683,5.579921523,56.19452724,28.09726362,41.0630079,56.19452724,5.108593385,28.09726362,1.42E-14,0.018854296,0.001714027,-4.368115921,159.5976451,14.50887683,5.579921523,56.19452724,28.09726362,41.0630079,56.19452724,5.108593385,28.09726362,1.42E-14,0.018854296,0.001714027,-4.368115921,159.5976451,14.50887683,5.579921523,69.81252642,34.69136759,51.93616701,69.64114212,6.33101292,34.69136759,-0.269318182,0.011943597,0.001085782,-4.870315912,65.06268816,5.914789832,4.592886362,0,11.9,12.10019524,-0.151268311,0.048953514,5.934087939,10.24163277,11,33,33,33,11,0,0,0,0,0,24.050554,3.713355753,3.349010855,2.803997379,2.750129472,2.580109821,2.333552793,1.735195793,1.456797487,2.032765323,1.794523966,1.483412273,1.372874417,1.258052066,1.249629723,0.830889752,0.666206401,3.733980863,3.378704902,2.851707298,2.792995694,2.628665398,2.405454588,1.823508007,1.556142907,1.98414006,1.729017897,1.390033288,1.285229005,1.165322865,1.134540686,0.697483054,0.522081792,3.826161592,3.510144846,3.060452497,2.981537655,2.838214175,2.704236987,2.187406206,1.9628467,1.844866683,1.53651442,1.10152534,1.018928274,0.879091306,0.76031856,0.254902455,0.037619229,3.749253275,3.400633918,2.88687244,2.824624264,2.664259276,2.457539916,1.887365323,1.62787375,1.953512398,1.687295038,1.32928669,1.228596505,1.105068189,1.058262671,0.608379815,0.425347018,3.871975619,3.574526763,3.160121092,3.072480534,2.937303389,2.838982085,2.349072953,2.141548494,1.802568435,1.476728455,1.00794988,0.933903671,0.785837671,0.631337262,0.099242694,0.135164289,3.727923529,3.439856999,3.049586377,2.841111579,2.710772054,2.698457223,2.029168846,1.737346925,1.963330609,1.625982019,1.173365883,1.170615037,1.007463198,0.821679972,0.437908724,0.277130536,0,0,0,0,0,3,6,1,1,0,0,0,0.102062073,0.051031036,0,0,0,0.102062073,0.051031036,1.194814383,0.204124145,0.348461713,0.102062073,1.194814383,0.204124145,0.348461713,0.102062073,2.342261593,2.638227255,2.54129406,2.342261593,2.638227255,2.54129406,8.319990956,5.165831887,4.677068452,3.621574357,2.172738226,1.513420006,0.637136847,0.378355001,0.756362814,0.469621081,0.311804563,0.213033786,0.135796139,0.09458875,0.063713685,0.047294375,8.319990956,5.165831887,4.677068452,3.621574357,2.172738226,1.513420006,0.637136847,0.378355001,0.756362814,0.469621081,0.311804563,0.213033786,0.135796139,0.09458875,0.063713685,0.047294375,16.96010584,31.76620539,29.98039216,30.36,19.7840994,253.310806,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,4.0029,50.647,45.93735134,66.50730663,91.87470267,8.352245698,45.93735134,0.321355996,0.029214181,-1.248726322,42.4755007,3.861409155,4.123820201,99,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,3,0,6,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,7.195018896,0,8.761740363,0,0,0,1.015046296,0,0,0,0,0,0.611527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.327981859,0,1.344907407,0,0,0,1.015046296,0,0,0,0,0,0.611527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.433518519,0,1.486944444,0,0,0,1.015046296,0,0,0,0,0,0.611527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.58333333,1.598484848,0.2,2.433518519,0,0.611527778,7.912626,0.638472222,0.433518519,2.390037793,0.638472222,0.433518519,2.390037793,5.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.27273,0.09091,0.09091,5.5,0.5,5.5,0.5,0,0,-5.5,-0.5,0,0,14.18916,1.28992,14.18916,0,0,5.16583,0.46962,5.16583,0,0,0.24817,0.02256,0.33417,0.03038,0.181818182,11,0,0,0,0,0,0,1,0.918295834,1.457359025,2.527465331,3.247902831,3.400010407,2.840483333,30.30376252,48.09284782,83.40635591,107.1807934,112.2003434,93.73594999,0.18204284,0.288906654,0.501044381,0.643863813,0.674017598,0.563097027,4.126098285,3.587035094,2.516928789,1.796491288,1.644383712,2.203910786,0.18204284,0.288906654,0.501044381,0.643863813,0.674017598,0.563097027,6.73287657,13.20163486,17.19633464,19.09150234,17.2462229,14.84703233,43.44862503,32.17276112,28.13690041,23.66238858,26.30967147,32.05020846,9.090909091,3.6,2.214532872,5,0,4,2.67,1.5499,1.144714243,5.206595347,1.310370697,2.381101578,6.945629182,3.532775529,2.620741394,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.14,0.131,0.159,0.212,4.979,15,17,16,16,10,8,2,0,0,106,2.48490665,2.772588722,2.890371758,2.833213344,2.833213344,2.397895273,2.197224577,1.098612289,0,0,4.672828834,1,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.181818182,5,0.454545455,1,3,6,1,3,1.777777778,0.6875,0.248888889,0.215277778,0.04,0,0,0,0,0.272727273,0.118518519,0.049107143,0.027654321,0.043055556,0.04,0,0,0,0,0.551062811,28.09726362,41.0630079,56.19452724,5.108593385,28.09726362,0.018854296,0.001714027,-4.368115921,159.5976451,14.50887683,5.579921523,0,186.4558309,4.459431619,3.970291914,4.762173935,5.609471795,6.428105273,7.278628942,8.103796713,8.954286157,9.781828264,10.63183294,87.52041594,3.135494216,0,4.418840608,0,5.932245187,0,7.527793988,0,9.159362817,9.380251909,154.1721507,4.671883355,21.29089635,1.935536032,0,0,0,150,14,6.174,52,1.23112082,2.111884478,2.872137528,3.517525999,4.024720167,4.975772755,5.819038997,7.033430929,0,0,79.5460444,93.95385715,86.83283909,68.5735205,55.15622163,37.83353435,16.75312331,7.146415963,0,0,292.2855035,378.1502207,411.54469,379.7447956,353.6873426,342.9517238,262.6416514,218.6253695,0,0,8.96950631,15.09965195,20.35978516,24.58698971,27.89158562,34.23800527,39.48515947,47.25385249,0,0,2.190358932,2.999540281,3.495584675,3.472594655,3.436653833,3.649923688,3.241047887,3.127154156,0,0,175.6346898,322.0202078,449.7242661,576.7645892,678.079255,856.3421276,1044.965804,1300.605533,0,0,2.352234177,3.423188182,4.565502509,5.171264671,5.516037028,6.389248265,6.508154314,7.033430929,0,0,0.453210461,0.627901307,0.740485681,0.745738633,0.74592979,0.803346418,0.730362816,0.720223327,0,0,377.0703127,211.4014376,9.576060416,91.4841271,-51.28983993,-4.981879949,285.5861857,262.6912775,14.55794037,0.804752406,0.451177963,0.020437455,0.195247594,-0.109463993,-0.010632446,176.6779692,99.05308217,4.486905624,42.86529393,-24.03208222,-2.334281969,0.054569794,0.115550831,0.578246697,0.91574729,468.5544398,0,1,0,744.9667435,27.29407891,9.065232808,958.0815373,30.95289223,9.858272615,1446.991154,38.03933693,11.31067765,1.508605304,1.453219542,696.0412498,638.5785015,260.7322648,1.08998541,2.669563164,2.4491733,4.457837923,4.466158665,7.285318514,0.63122698,6.136472113,9.688762584,10.30443224,29.0475997,22.56783917,22.60779744,19.71546776,19.94515257,16.96762355,12.66668208,7.911347374,3.407279662,3.240636014,0.009974898,6.57E-23,8.36E-65,2.05E-128,9.70E-214,8.85E-321,0,0,0,0,0,0,0,0,0,0,0,0.515556442,8.454499814,0.675972923,11.26178518,2.048420538,3.142691652,2.148117476,3.731905489,0.98529156,0.757063251,0.665971593,0.15025819,0.022825347,7.03E-05,4.63E-25,5.88E-67,1.44E-130,6.83E-216,6.4E-323,0,0,0,0,0,0,0,0,0,0,0,1.662899729,8.584489216,2.282110959,13.54545342,4.845227507,5.723299413,4.19330771,6.107858662,3.130083035,2.64503093,1.414671623,0.574462541,0.237847643,7.32E-04,4.82E-24,6.13E-66,1.50E-129,7.12E-215,6.47E-322,0,0,0,0,0,0,0,0,0,0,0,5.79236176,9.570060052,9.587899137,27.48231318,20.81933757,20.92348937,18.09496545,18.62234209,15.59384687,11.74547439,7.209457483,3.122762635,2.887349228,0.008887455,5.85E-23,7.44E-65,1.83E-128,8.64E-214,7.885E-321,0,0,0,0,0,0,0,0,0,0,0,2.45051654,8.709932328,3.491338909,15.51301159,7.178355673,7.908307992,6.054726617,8.016056317,4.934236858,4.102301201,2.145452797,0.937111529,0.516633708,0.001590221,1.05E-23,1.33E-65,3.27E-129,1.55E-214,1.413E-321,0,0,0,0,0,0,0,0,0,0,0,7.410560046,10.17724896,13.10172808,35.38412626,29.60074309,29.4034199,26.33431237,25.21789517,22.50299024,16.29562527,10.80344764,4.557370634,4.726158883,0.014547452,9.58E-23,1.22E-64,2.99E-128,1.41E-213,1.2905E-320,0,0,0,0,0,0,0,0,0,0,0,4.075545161,8.07063627,5.342524758,20.45254108,12.20583858,12.91612304,10.35989691,12.01868728,9.126391171,7.197831608,4.00036431,1.805783585,1.268280868,0.003903835,2.57E-23,3.27E-65,8.02E-129,3.80E-214,3.463E-321,0,0,0,0,0,0,0,0,0,0,0,4.22880747,1.634392847,1.206076074,0.598195238,0.231196626,0.537452897,0.543077236,0.414050947,7.069276391,13.9829983,29.38810889,0.397292856,1.49458108,3.495373228,1.031858696,0.659681164,0.67388313,0.198935027,0.36697137,0.216013837,0.124138069,5.186913088,6.593260886,14.15946665,0.510824695,0.707123277,3.78662799,1.271188381,0.876710322,0.638067395,0.214202151,0.430773116,0.328124673,0.219064679,5.934526693,9.247757323,19.4023445,0.457101093,0.977962467,4.210645652,1.619478028,1.192550699,0.599578654,0.230607022,0.532837892,0.533185246,0.404837332,7.022674379,13.77176619,28.92650117,0.399367981,1.47086047,3.916470273,1.377857664,0.973440911,0.624858761,0.21983224,0.460870547,0.385646044,0.269969189,6.267768848,10.55005399,22.07083958,0.437288141,1.11648578,4.285668525,1.681086465,1.248419857,0.593979857,0.232993171,0.552030872,0.574636209,0.443563235,7.215174847,14.65359476,30.86310954,0.390969786,1.570230316,4.220012365,1.62359879,1.197695583,0.599322331,0.230582028,0.53520017,0.536021136,0.40837861,7.041306738,13.85047424,29.09792038,0.398983496,1.479599916 +UMLMON0279,L,tert-amylcyclohexane,CCC(C)(C)C1CCCCC1,252363,,UML,[1],C11H22,PubChem,,85.1,0,1.5646,2.44797316,40.3153,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,2348.706878,2108.61673,1042.553739,266.698656,27.433728,0,0,4371.159516,5876.91121,9347.561072,10803.95123,8164.789769,3557.278827,839.2610996,0,0,188.796996,195.98202,384.684152,540.378856,699.392748,450.603648,181.398528,0,0,33.10313229,45.14389758,74.22133273,93.3557476,82.70960931,41.38521701,12.00454843,0,0,4469.666941,3897.355064,8345.154354,11755.57296,17039.73817,11632.25316,4992.776605,0,0,43.61805556,52.54166667,86.15277778,129,141.25,84,27,0,0,48.76541633,56.15943233,43.49457181,27.74495697,10.32231425,4.040888727,1.016064,0,0,161.8947969,217.6633782,173.1029828,142.1572531,80.83950266,53.89816405,31.08374443,0,0,6.992481333,7.258593333,7.123780593,7.110248105,6.924680673,6.827328,6.718464,0,0,1.226041937,1.671996207,1.374469125,1.2283651,0.818907023,0.627048743,0.444612905,0,0,165.54322,144.3464838,154.5398954,154.6785916,168.7102789,176.2462599,184.917652,0,0,1.615483539,1.945987654,1.595421811,1.697368421,1.398514851,1.272727273,1,0,0,0.034783716,-0.007174393,0.012994021,-0.028954172,-0.012872209,0.003915373,0.014699522,0,0,726.396054,6.32E-13,242.132018,-753.2996116,-376.6498058,161.4213453,363.198027,0,0,1350.764481,-7.53E-13,450.2548269,-1400.792795,-700.3963974,300.1698846,675.3822403,0,0,0.142296,2.05E-15,0.047432,-0.147566222,-0.073783111,0.031621333,0.071148,0,0,6.038545709,1.73E-14,2.01284857,-6.26219555,-3.131097775,1.341899046,3.019272855,0,0,32.80147613,-1.98E-13,10.93382538,-34.01634562,-17.00817281,7.289216918,16.40073807,0,0,3.488168724,-2.014660494,1.829218107,-1.767365874,-0.31273815,-0.775091449,1.296553498,0,0,0.001288286,-2.66E-04,2.41E-04,-3.81E-04,-1.27E-04,5.93E-05,5.44E-04,0,0,26.90355756,2.34E-14,4.483926259,-9.911836994,-3.729205998,2.44577796,13.45177878,0,0,50.0283141,-2.79E-14,8.33805235,-18.43148414,-6.934617796,4.548028554,25.01415705,0,0,0.005270222,7.59E-17,8.78E-04,-0.001941661,-7.31E-04,4.79E-04,0.002635111,0,0,0.223649841,6.39E-16,0.037274974,-0.08239731,-0.031000968,0.020331804,0.111824921,0,0,1.214869486,-7.34E-15,0.202478248,-0.447583495,-0.168397751,0.110442681,0.607434743,0,0,0.129191434,-0.074617055,0.033874409,-0.023254814,-0.003096417,-0.01174381,0.0480205,0,0,-0.206257239,0.186783111,-0.295723166,-0.09892806,0.04604866,0.422597797,0,0,8.71E-16,0.166666667,-0.368421053,-0.138613861,0.090909091,0.5,0,0,-5.58E-16,0.166666667,-0.368421053,-0.138613861,0.090909091,0.5,0,0,1.44E-14,0.166666667,-0.368421053,-0.138613861,0.090909091,0.5,0,0,2.86E-15,0.166666667,-0.368421053,-0.138613861,0.090909091,0.5,0,0,-6.04E-15,0.166666667,-0.368421053,-0.138613861,0.090909091,0.5,0,0,-0.57756968,0.262203215,-0.180002755,-0.023967667,-0.090902388,0.371700339,0,0,1.654231547,0.83369504,1.47546226,0.996203029,0.735819764,1.76E-05,0,0,1.444444444,1.043209877,1.539473684,0.98679868,0.590909091,0,0,0,1.444444444,1.043209877,1.539473684,0.98679868,0.590909091,0,0,0,1.444444444,1.043209877,1.539473684,0.98679868,0.590909091,0,0,0,1.444444444,1.043209877,1.539473684,0.98679868,0.590909091,0,0,0,1.444444444,1.043209877,1.539473684,0.98679868,0.590909091,0,0,0,2.124170476,0.513788527,1.352289485,0.950939652,1.016422893,0,0,0,36.2398788,18.1199394,24.91691897,36.2398788,4.0266532,18.11993945,3.55E-15,0.050633264,0.005625918,-2.684831867,38.73823212,4.304248013,3.29114432,36.2398788,18.1199394,24.91691897,36.2398788,4.0266532,18.11993945,3.55E-15,0.050633264,0.005625918,-2.684831867,38.73823212,4.304248013,3.29114432,36.2398788,18.1199394,24.91691897,36.2398788,4.0266532,18.11993945,3.55E-15,0.050633264,0.005625918,-2.684831867,38.73823212,4.304248013,3.29114432,36.2398788,18.1199394,24.91691897,36.2398788,4.0266532,18.11993945,3.55E-15,0.050633264,0.005625918,-2.684831867,38.73823212,4.304248013,3.29114432,36.2398788,18.1199394,24.91691897,36.2398788,4.0266532,18.11993945,3.55E-15,0.050633264,0.005625918,-2.684831867,38.73823212,4.304248013,3.29114432,36.2398788,18.1199394,24.91691897,36.2398788,4.0266532,18.11993945,3.55E-15,0.050633264,0.005625918,-2.684831867,38.73823212,4.304248013,3.29114432,46.94398114,23.30362637,32.42432312,46.68208128,5.18689792,23.30362637,-0.336728395,0.0302142,0.003357133,-3.149498952,41.50741997,4.611935552,3.353284985,0,11.89,12.11013444,-0.156662107,0.065178775,6.130554251,9.653311194,9,27,27,27,9,0,0,0,0,0,19.677726,3.754847789,3.042450648,2.848289381,2.333552793,2.253935042,2.137789333,1.470640813,0.911232329,1.89089223,1.815722592,1.441566972,1.249629723,1.153475596,1.063246691,0.487084978,0.369849146,3.773899287,3.078445809,2.892395212,2.405454588,2.324231019,2.204914306,1.554291534,1.039069824,1.838183287,1.754925806,1.344883517,1.134540686,1.039457309,0.948543316,0.342211009,0.21226765,3.859171839,3.239714181,3.086814462,2.704236987,2.61816053,2.489324561,1.904171466,1.540519967,1.689999688,1.578124352,1.043621729,0.76031856,0.669574795,0.578041737,0.141918365,0.325363808,3.788010164,3.105161818,2.924971156,2.457539916,2.375273411,2.253881136,1.615073185,1.129958931,1.805213161,1.716374165,1.281797368,1.058262671,0.963936796,0.872679337,0.245165979,0.105913874,3.90169113,3.319216945,3.180646233,2.838982085,2.751430836,2.620066527,2.062446305,1.751688076,1.645997855,1.523742965,0.944837697,0.631337262,0.542615301,0.451651685,0.313226822,0.520058135,3.739604401,3.181169051,3.03163375,2.663154321,2.518508912,2.310940629,1.65930478,1.241229108,1.811486047,1.718720377,1.119688342,0.853098455,0.805375486,0.751174499,0.136295407,0.025916255,0,0,0,0,0,4,2,2,1,0,0,0.083333333,0.333333333,0.5,0,0,0.083333333,0.333333333,0.5,1.543276095,0.204124145,0.49279928,0.144337567,1.543276095,0.204124145,0.49279928,0.144337567,2.610990332,3.212925398,3.219295479,2.610990332,3.212925398,3.219295479,7.068914101,4.021673935,4.434626887,2.964543723,2.10521467,1.020220057,0.166666667,0,0.7854349,0.446852659,0.316759063,0.197636248,0.131575917,0.092747278,0.083333333,0,7.068914101,4.021673935,4.434626887,2.964543723,2.10521467,1.020220057,0.166666667,0,0.7854349,0.446852659,0.316759063,0.197636248,0.131575917,0.092747278,0.083333333,0,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.0786,41.343,31.43452312,42.94651388,62.86904623,6.985449581,31.43452312,0.077898451,0.008655383,-2.297114287,50.50390591,5.611545101,3.52984561,58,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,2,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.524884259,0,2.862268519,0,0,0,1.905092593,0,0,0,0,0,0.624421296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.366319444,0,1.424768519,0,0,0,0.9375,0,0,0,0,0,0.624421296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.390046296,0,1.4375,0,0,0,0.967592593,0,0,0,0,0,0.624421296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.91666667,1.657407407,0.2,2.390046296,0,0.624421296,6.457010995,0.625578704,0.390046296,3.049768519,0.625578704,0.390046296,3.049768519,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.44444,0.22222,0.11111,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,11.11891,1.23543,11.11891,0,0,4.02166,0.44685,4.02166,0,0,0.39234,0.04359,0.47834,0.05315,0.185185185,9,0,0,0,0,0,0,1,0.918295834,1.530493057,2.643052317,3.281760187,3.250102669,3.095850927,24.79398752,41.32331253,71.36241255,88.60752505,87.75277208,83.58797504,0.193126721,0.321877869,0.555860116,0.690186715,0.683528825,0.651088154,3.836591668,3.224394445,2.111835186,1.473127315,1.504784833,1.659036575,0.193126721,0.321877869,0.555860116,0.690186715,0.683528825,0.651088154,6.73287657,14.07924324,18.45744905,18.79382684,15.97123109,18.60646284,35.54887502,24.5467028,20.38696946,19.93093983,24.21429764,20.28025742,7.111111111,2,1.28,0,0,0,2.45,1.2681,1.853144012,3.435783338,3.883934174,2.555772417,0.5,3.363585661,1.414213562,0.5,1.414213562,0,0,0,0,0,0,0,0,0,0,0.003,0.158,0.151,0.12,0.197,3.753,14,15,16,11,2,0,0,0,0,76,2.302585093,2.708050201,2.772588722,2.833213344,2.48490665,1.098612289,0,0,0,0,4.343805422,1,0.25,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.444444444,0,3,4,0.333333333,4,1.777777778,1.263888889,0,0,0,0,0,0,0,0.444444444,0.126984127,0.126388889,0,0,0,0,0,0,0,0.69781746,18.1199394,24.91691897,36.2398788,4.0266532,18.11993945,0.050633264,0.005625918,-2.684831867,38.73823212,4.304248013,3.29114432,0,151.8638616,4.169925001,3.850147602,4.65396035,5.556828062,6.388561406,7.284134806,8.127109185,9.016148643,9.86562991,10.74972056,83.49224052,2.944438979,0,4.317488114,2.397895273,5.855071922,4.844187086,7.461065514,6.968850378,9.101529466,9.421735176,126.1408506,4.671883355,17.10567265,1.900630294,0,0,0,79,10,4.975,46,1.322351022,2.334568432,3.319959835,3.998001311,4.830412987,5.923558761,0,0,0,0,92.70728943,121.7693809,104.4334686,48.20850366,21.85690383,6.018714809,0,0,0,0,330.9230363,458.9781164,505.1777029,349.660319,277.982566,184.1263866,0,0,0,0,9.657429115,16.7435167,23.67308647,27.77164454,33.06294962,39.79721629,0,0,0,0,2.444790845,3.534719621,4.274883519,3.455750656,3.169900328,2.633690668,0,0,0,0,187.2021646,352.8626246,508.8006032,667.8697122,844.6405184,1095.370578,0,0,0,0,2.604010113,3.938436683,5.778749386,5.766997054,6.358576219,5.923558761,0,0,0,0,0.50452745,0.736110419,0.904093648,0.751141292,0.704909551,0.606572417,0,0,0,0,347.9576972,156.3918672,8.558124993,39.34226298,-17.6826379,-2.299740758,308.6154342,174.0745051,10.85786575,0.89841914,0.40380037,0.022096891,0.10158086,-0.045656183,-0.00593788,134.7640023,60.57056393,3.314561469,15.23725688,-6.848484956,-0.890689504,0.067498098,0.138809875,0.616690022,1.357634231,387.2999602,0,1,0,464.5052698,21.55238432,7.744562373,638.8719193,25.2759158,8.612672499,827.6360295,28.76866402,9.388865757,1.105621167,1.05728568,601.3231595,509.2087514,253.3001954,1.180897143,2.373954582,2.010297507,4.60926743,4.528863511,7.72856719,0.706513604,5.020209962,5.389901783,3.988111833,10.15087829,12.2681444,17.11086882,13.31780958,14.83307727,9.93162161,8.831867371,5.238207193,2.138831889,3.334641687,0.005387436,6.31E-04,1.43E-26,6.23E-71,5.24E-137,8.51E-225,0,0,0,0,0,0,0,0,0,0,0,0.421311435,5.389573824,0.783158403,4.072489316,1.516377006,4.600208289,0.868066329,0.721494668,0.778989189,0.295558337,0.92113122,0.016887674,0.057043502,3.79E-05,4.45E-06,1.01E-28,4.39E-73,3.69E-139,5.99E-227,0,0,0,0,0,0,0,0,0,0,0,1.360044669,5.389596447,1.170725412,4.924231936,2.924875693,6.337333104,2.31645237,2.548536097,1.856323652,1.24774264,1.36469168,0.161663612,0.33095915,3.95E-04,4.63E-05,1.05E-27,4.57E-72,3.85E-138,6.24E-226,0,0,0,0,0,0,0,0,0,0,0,4.738668689,5.389866027,3.697581201,9.641153252,11.33180933,16.05610053,12.16902331,13.59650644,9.091505213,8.029713419,4.819093961,1.906916436,2.994211931,0.004800109,5.63E-04,1.27E-26,5.55E-71,4.67E-137,7.58E-225,0,0,0,0,0,0,0,0,0,0,0,2.004455605,5.389625137,1.515946667,5.624424585,4.125194922,7.772270689,3.635220293,4.115528952,2.830718411,2.136031378,1.799128419,0.346667248,0.636310592,8.59E-04,1.01E-04,2.28E-27,9.93E-72,8.36E-138,1.36E-225,0,0,0,0,0,0,0,0,0,0,0,6.062630571,5.390051975,5.170915722,12.19440695,16.05075564,21.34419643,18.01022817,19.83468108,13.35988501,12.11930999,6.965786933,3.11333688,4.753806746,0.00785707,9.21E-04,2.08E-26,9.09E-71,7.65E-137,1.24E-224,0,0,0,0,0,0,0,0,0,0,0,3.316619471,4.729737399,1.806199746,6.446309363,6.414387872,10.90512435,6.53064183,7.367789042,5.155644389,4.145924115,3.224010759,0.787242041,1.372818584,0.001961208,2.30E-04,5.20E-27,2.27E-71,1.91E-137,3.10E-225,0,0,0,0,0,0,0,0,0,0,0,4.291146476,2.004800163,1.216479851,0.571206451,0.26686453,0.472527795,0.419468714,0.458667319,7.512426489,16.26178338,34.23945362,0.356809677,1.350663828,3.397790145,1.369935174,0.641429175,0.6281555,0.253262349,0.297132767,0.192776323,0.129896263,5.409154494,7.712910351,16.10775873,0.44223325,0.619805353,3.752110994,1.622248241,0.870146626,0.600865958,0.259788088,0.361788383,0.272150449,0.237300383,6.244505861,10.76333601,22.30429861,0.401298936,0.871239216,4.268982955,1.989098514,1.202273931,0.572222465,0.266622487,0.467678966,0.41277793,0.448219937,7.460355401,16.01535586,33.68473337,0.358333697,1.328676833,3.910264681,1.734641672,0.971949995,0.590955051,0.262154954,0.392727655,0.312045593,0.295105684,6.616856347,12.26947476,25.47897857,0.386432577,0.999878932,4.360548099,2.053953137,1.260945929,0.568116489,0.267600453,0.487875511,0.440771749,0.492116158,7.675447165,17.04470067,36.01363534,0.352174734,1.420763418,4.285304123,1.994439004,1.206117932,0.572453067,0.266427467,0.471211955,0.415150256,0.451037398,7.485861058,16.12088847,33.91517135,0.358679601,1.33739961 +UMLMON0280,L,"1,1,2,4-tetramethylcyclopentane",CC1CC(C(C1)(C)C)C,522010,,UML,[1],C9H18,PubChem,,88,0,-0.0056,3.14E-05,27.9392,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,803.11258,619.564683,443.973938,275.495641,84.835296,9.144576,0,2914.106344,3494.423905,4007.996657,3405.28699,2534.710644,1881.72051,1061.424631,279.7536999,0,125.864664,123.114164,212.027152,236.482284,167.677256,145.901476,123.32736,60.466176,0,22.06875486,27.30703172,34.75630082,31.51473972,23.38646077,18.37047215,12.01662072,4.001516144,0,2979.777961,2471.442353,4742.724499,5667.698821,3940.235805,3507.196353,3137.747111,1664.258868,0,32.5,38,54,54.25,38,31,24,9,0,48.76541633,50.97680359,26.77041933,18.22249068,18.49891408,13.11884005,4.713072,1.016064,0,161.8947969,205.5543474,133.5998886,100.1554997,105.6129435,89.60573856,58.96803508,31.08374443,0,6.992481333,7.242009647,7.067571733,6.955361294,6.986552333,6.947689333,6.85152,6.718464,0,1.226041937,1.606295984,1.158543361,0.926904109,0.974435865,0.874784388,0.66759004,0.444612905,0,165.54322,145.3789619,158.0908166,166.6970241,164.1764919,167.0093502,174.3192839,184.917652,0,1.805555556,2.235294118,1.8,1.595588235,1.583333333,1.476190476,1.333333333,1,0,0.039464444,-0.004186059,-0.0152022,-0.003379639,-0.004406006,0.002692398,-1.24E-04,0.0048733,0,484.264036,-53.80711511,-161.4213453,13.45177878,-80.71067267,-80.71067267,-2.74E-13,121.066009,0,900.5096538,-100.0566282,-300.1698846,25.01415705,-150.0849423,-150.0849423,-1.49E-13,225.1274134,0,0.094864,-0.010540444,-0.031621333,0.002635111,-0.015810667,-0.015810667,-6.81E-16,0.023716,0,4.025697139,-0.447299682,-1.341899046,0.111824921,-0.670949523,-0.670949523,-1.78E-15,1.006424285,0,21.86765075,-2.429738973,-7.289216918,0.607434743,-3.644608459,-3.644608459,-3.55E-14,5.466912688,0,3.111111111,-0.688271605,-0.518518519,-0.12654321,-0.759259259,0.12037037,-0.277777778,0.694444444,0,0.002192469,-2.46E-04,-5.07E-04,-9.94E-05,-1.84E-04,1.28E-04,-6.89E-06,5.41E-04,0,26.90355756,-3.165124418,-5.380711511,0.395640552,-3.362944694,-3.843365365,-1.52E-14,13.45177878,0,50.0283141,-5.885684011,-10.00566282,0.735710501,-6.253539262,-7.146902014,-8.29E-15,25.01415705,0,0.005270222,-6.20E-04,-0.001054044,7.75E-05,-6.59E-04,-7.53E-04,-3.78E-17,0.002635111,0,0.223649841,-0.026311746,-0.044729968,0.003288968,-0.02795623,-0.031949977,-9.87E-17,0.111824921,0,1.214869486,-0.142925822,-0.242973897,0.017865728,-0.151858686,-0.173552784,-1.97E-15,0.607434743,0,0.172839506,-0.040486565,-0.017283951,-0.003721859,-0.031635802,0.005731922,-0.015432099,0.077160494,0,-0.11231117,-0.231127546,-0.045337531,-0.083733706,0.05847719,-0.003142482,0.246971662,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-5.65E-16,0.5,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-1.66E-16,0.5,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-7.18E-15,0.5,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-4.41E-16,0.5,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-1.62E-15,0.5,0,-0.234243697,-0.1,-0.021533613,-0.183035714,0.033163265,-0.089285714,0.446428571,0,1.398348862,1.285837066,1.15119283,1.184761504,0.647024435,0.527256219,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.607142857,1.138392857,1.004464286,1.081473214,0.715561224,0.910714286,0,0,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,23.18733663,11.53811276,18.27367927,23.11326256,3.852210426,11.53813808,-0.111111111,1.11E-16,1.85E-17,-22.04208034,32.04937936,5.341563227,2.080366691,0,11.89,12.11007471,-0.160379043,0.061014257,5.123186858,6.731390504,5,17,16,16,4,1,1,0,0,1,13.118484,3.489144524,3.014912052,2.504383072,1.782561578,1.406975249,0.752169233,0.083923071,0.083923071,1.860497646,1.621651493,1.229175443,0.852171619,0.622414124,0.260696959,0.083923071,0.083923071,3.512714551,3.057830648,2.557249633,1.867645456,1.509042223,0.888243438,0.270913902,0.270913902,1.803408681,1.537703988,1.132347359,0.720700548,0.47943536,0.093646601,0.270913902,0.270913902,3.618949941,3.243979352,2.78443186,2.220702445,1.921270315,1.418282275,0.943918427,0.943918427,1.640660717,1.280475253,0.828427333,0.286568306,0.003665697,0.488360286,0.943918427,0.943918427,3.530218238,3.08934128,2.595977363,1.929323787,1.582344855,0.984772273,0.399277246,0.399277246,1.767495391,1.483314233,1.069004016,0.633028072,0.383319759,0.019847148,0.399277246,0.399277246,3.672201441,3.332552334,2.890842505,2.378633231,2.100399324,1.63963836,1.207644823,1.207644823,1.591633238,1.197304943,0.727877696,0.134833631,0.177407915,0.705843336,1.207644823,1.207644823,3.555702998,3.108286018,2.699018115,1.985426676,1.636728454,1.112316198,0.545454545,0.545454545,1.739053094,1.446146758,0.951716906,0.552227846,0.293108818,0.157502236,0.545454545,0.545454545,0,0,0,2,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.568914101,2.564043477,1.287901102,0.638071187,0.333333333,0.166666667,0,0,0.761485683,0.512808695,0.321975275,0.212690396,0.166666667,0.166666667,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,4,2,0,2,0,0,0,0,0,0,0,0,2,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.632638889,0,0,1.067361111,0.580555556,0,0.632638889,0,0,0,0,0,0,0,0,4.29,0,2.348888889,0,4.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.243402778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.145,0,1.174444444,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.290277778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.145,0,1.174444444,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.316319444,2.180555556,0.243402778,1.174444444,4.206555556,0.325555556,0.180555556,1.302222222,0.325555556,0.180555556,1.302222222,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.33333,0,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.27843,0.71307,5.31294,1.03452,0.17242,2.37132,0.39522,2.91421,0.54289,0.09048,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.879964949,2.419381946,2.419381946,2.419381946,2.067168057,16.52932501,33.83936908,43.54887502,43.54887502,43.54887502,37.20902502,0.220218789,0.450839031,0.580197952,0.580197952,0.580197952,0.49573267,3.251629167,2.289960053,1.750543056,1.750543056,1.750543056,2.102756945,0.220218789,0.450839031,0.580197952,0.580197952,0.580197952,0.49573267,6.73287657,13.50946582,14.05310377,14.05310377,14.05310377,9.826537102,23.69925001,18.09522171,18.48287501,18.48287501,18.48287501,14.25630834,6,5,5.333333333,6,2,6,2.12,0.911,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,2.708,4,3,2,1,0,0,0,0,0,21,1.945910149,1.945910149,1.945910149,1.609437912,1.098612289,0,0,0,0,0,3.433987204,1.428571429,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,109.6959078,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,84.09390038,4.671883355,10.83915043,1.806525072,0,0,0,35,3,3.238,18,1.206606141,2.09784649,2.88748451,3.72540674,5.026525694,5.882572211,7.071014768,0,0,0,71.99220307,64.08960883,64.02764621,86.60096932,75.59363559,30.59592911,7.184603549,0,0,0,272.5169522,303.7920316,319.4016052,455.1554259,483.2647669,368.5375055,219.7936159,0,0,0,8.771798341,14.88350424,20.14233205,26.21272966,35.01855468,40.40788691,47.50635816,0,0,0,2.071063202,2.57665677,2.853500302,4.040881604,4.613807735,4.100301391,3.143864416,0,0,0,173.32668,327.5120314,477.2459668,597.6562967,832.2717234,1017.215523,1307.555448,0,0,0,2.797377663,3.930517025,4.784929305,6.313793175,7.665357977,8.102282425,7.071014768,0,0,0,0.429617738,0.545622487,0.611132516,0.862806855,0.997489642,0.90780752,0.724071912,0,0,0,340.0158819,127.5932468,9.855789399,120.8571676,-45.35246507,-7.23344735,219.1587143,172.9457119,17.08923675,0.737764732,0.276851178,0.021385042,0.262235268,-0.098405548,-0.015695097,156.7041564,58.80428874,4.542267715,55.69981136,-20.90172888,-3.333700938,0.15159456,0.235036811,3.393825156,2.557490396,460.8730495,0,1,0,332.6598227,18.23896441,6.928939733,452.9289917,21.28212846,7.679684411,470.4497698,21.68985407,7.777459414,1.969726476,1.969726476,436.2861893,417.6411261,31.33269173,1.044643743,13.92431244,13.32924505,3.654542824,4.621652351,8.038734117,0.739363653,4.94109611,4.005250566,2.320986279,13.75260872,6.357324146,1.502122487,3.752192015,4.330730967,8.22307244,0.176270249,1.84982551,3.972730669,0.587337696,0.00229699,0.860679414,5.75E-10,7.41E-41,1.84E-93,8.83E-168,8.16E-264,0,0,0,0,0,0,0,0,0,0,0.414679705,4.000778464,0.191137415,4.10487374,0.052496495,0.122678848,0.595496012,0.065676893,2.105924122,0.001242258,0.114834862,0.221651168,0.045535858,1.62E-05,0.006061835,4.05E-12,5.22E-43,1.30E-95,6.22E-170,5.75E-266,0,0,0,0,0,0,0,0,0,0,1.338617793,4.001077408,0.619417908,4.836898857,0.486429242,0.395573753,1.239831012,0.408223044,2.802717917,0.012939222,0.393406998,0.786655318,0.149469792,1.69E-04,0.063168999,4.22E-11,5.44E-42,1.35E-94,6.48E-169,5.99E-265,0,0,0,0,0,0,0,0,0,0,4.663992141,4.004759607,2.188310624,12.72427146,5.669577961,1.414603611,3.558936411,3.882823534,7.65335996,0.15705415,1.716874183,3.672101466,0.551813111,0.002046614,0.766849863,5.12E-10,6.60E-41,1.64E-93,7.87E-168,7.27E-264,0,0,0,0,0,0,0,0,0,0,1.972872325,4.001464905,0.915339246,5.706786167,1.037588872,0.58548451,1.682150932,0.800156931,3.444899688,0.02810382,0.607078247,1.234096372,0.222794485,3.66E-04,0.137211508,9.17E-11,1.18E-41,2.94E-94,1.41E-168,1.30E-264,0,0,0,0,0,0,0,0,0,0,5.967087381,4.007314959,2.814822177,18.05706538,9.246374923,1.829651617,4.467736133,6.201232361,10.5541247,0.257071074,2.372441652,5.16643002,0.721544155,0.003349767,1.255220038,8.39E-10,1.08E-40,2.69E-93,1.29E-167,1.19E-263,0,0,0,0,0,0,0,0,0,0,2.70454378,3.596584944,1.307824162,7.254788371,1.921280994,0.875865623,2.256826109,1.424216478,3.991480188,0.052446993,0.744870911,1.926925926,0.334957333,6.84E-04,0.256069908,1.71E-10,2.20E-41,5.48E-94,2.63E-168,2.43E-264,0,0,0,0,0,0,0,0,0,0,6.313323884,0.789171353,0.349697732,0.847176651,0.105897869,0.614126599,0.59436928,0.444444429,7.452192969,7.466020823,16.66051082,0.770764977,1.652940309,4.890680672,0.297068242,0.075389316,0.9292328,0.056443177,0.369246764,0.08488532,0.020656248,5.26313823,1.843966753,7.216635551,0.893849199,0.474788333,5.455469703,0.4927543,0.184335715,0.889590963,0.08035051,0.459026256,0.232945265,0.123495409,6.132559718,3.78467628,10.4127684,0.834386444,0.81546693,6.278081533,0.77700998,0.342906628,0.848618966,0.105029761,0.607309497,0.576325929,0.42734989,7.397998141,7.29736965,16.36811159,0.772928449,1.610985316,5.707328586,0.579870465,0.232897609,0.875344168,0.088935869,0.502218701,0.322133805,0.197134165,6.52009666,4.77378491,12.06465884,0.813016252,1.021486671,6.423664128,0.827239512,0.370958864,0.842794543,0.108535087,0.635717057,0.652614501,0.500130501,7.621862504,8.003695755,17.59679982,0.764191815,1.788462058,6.281877719,0.776025781,0.342813918,0.848820103,0.104858183,0.607992681,0.574519068,0.42711884,7.400717419,7.294446618,16.36634729,0.773230154,1.609630588 +UMLMON0281,L,trans-3-hexene,CC/C=C/CC,638066,Sandia values from averaged from the co-optima database (source their api report) and independent api report because I don't know which one is better use sandia values cause it is averaged ,Sandia,,C6H12,PubChem,,80.05,0,1.6136,2.60370496,38.8542,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1432.661672,1123.988381,827.498116,783.978724,302.76288,36.578304,0,3885.475125,4800.404174,6285.345707,6255.412399,4754.006523,3933.942147,3126.683726,1119.0148,0,167.819552,166.665724,297.5336,366.243764,373.270288,231.384208,251.444736,241.864704,0,29.42500648,37.33900896,52.14452968,56.24711149,45.42701054,34.75227672,32.0604183,16.00606457,0,3973.037281,3337.521256,6602.062723,8307.658088,9180.748148,5361.067664,5893.952969,6657.035473,0,43.55555556,50.66666667,76,95.44444444,77.33333333,53,60,36,0,48.76541633,52.3287937,34.11099219,21.61516117,15.32403919,23.75693103,8.41008,1.016064,0,161.8947969,208.713225,149.6510883,120.2963923,88.03715784,119.2103681,86.85232572,31.08374443,0,6.992481333,7.246335826,7.084133333,7.043149308,6.912412741,7.011642667,6.984576,6.718464,0,1.226041937,1.623435172,1.241536421,1.081675221,0.841240936,1.053099295,0.890567175,0.444612905,0,165.54322,145.1096198,157.1919696,159.7626555,170.0138546,162.4565959,163.7209158,184.917652,0,1.814814815,2.202898551,1.80952381,1.835470085,1.432098765,1.606060606,1.666666667,1,0,0.045598067,-0.009504838,0.003870636,-0.025664014,-0.002769285,0.015241793,-0.023900385,0.01992706,0,645.6853813,-53.80711511,3.23E-13,-390.1015846,161.4213453,-40.35533633,-484.264036,484.264036,0,1200.679538,-100.0566282,8.53E-14,-725.4105544,300.1698846,-75.04247115,-900.5096538,900.5096538,0,0.126485333,-0.010540444,1.84E-15,-0.076418222,0.031621333,-0.007905333,-0.094864,0.094864,0,5.367596186,-0.447299682,7.52E-15,-3.242922696,1.341899046,-0.335474762,-4.025697139,4.025697139,0,29.15686767,-2.429738973,-7.22E-14,-17.61560755,7.289216918,-1.822304229,-21.86765075,21.86765075,0,4.37037037,-2.077160494,2.314814815,-2.802469136,-0.611111111,2.101851852,-3.888888889,2.777777778,0,0.001899919,-4.13E-04,9.22E-05,-4.94E-04,-5.13E-05,4.62E-04,-6.64E-04,5.54E-04,0,26.90355756,-2.339439787,7.70E-15,-7.501953549,2.989284173,-1.22288898,-13.45177878,13.45177878,0,50.0283141,-4.350288182,2.03E-15,-13.95020297,5.558701566,-2.274014277,-25.01415705,25.01415705,0,0.005270222,-4.58E-04,4.39E-17,-0.001469581,5.86E-04,-2.40E-04,-0.002635111,0.002635111,0,0.223649841,-0.019447812,1.79E-16,-0.062363898,0.024849982,-0.010165902,-0.111824921,0.111824921,0,1.214869486,-0.105640825,-1.72E-15,-0.338761684,0.134985498,-0.05522134,-0.607434743,0.607434743,0,0.182098765,-0.090311326,0.055114638,-0.053893637,-0.011316872,0.06369248,-0.108024691,0.077160494,0,-0.217511244,0.048506272,-0.259768241,-0.026992228,0.243101095,-0.349435641,0.291343639,0,-0.086956522,2.86E-16,-0.278846154,0.111111111,-0.045454545,-0.5,0.5,0,-0.086956522,4.06E-17,-0.278846154,0.111111111,-0.045454545,-0.5,0.5,0,-0.086956522,8.33E-15,-0.278846154,0.111111111,-0.045454545,-0.5,0.5,0,-0.086956522,8.01E-16,-0.278846154,0.111111111,-0.045454545,-0.5,0.5,0,-0.086956522,-1.41E-15,-0.278846154,0.111111111,-0.045454545,-0.5,0.5,0,-0.495946942,0.302663438,-0.295958279,-0.062146893,0.349768875,-0.593220339,0.423728814,0,1.541106649,0.958676685,1.580772378,1.036802061,0.616799497,1.159674109,0,0,1.5,1.129464286,1.326923077,0.71875,1.045454545,1.4375,0,0,1.5,1.129464286,1.326923077,0.71875,1.045454545,1.4375,0,0,1.5,1.129464286,1.326923077,0.71875,1.045454545,1.4375,0,0,1.5,1.129464286,1.326923077,0.71875,1.045454545,1.4375,0,0,1.5,1.129464286,1.326923077,0.71875,1.045454545,1.4375,0,0,1.93220339,0.654358354,1.529335072,0.877118644,0.425269646,1.754237288,0,0,34.34835627,17.17417813,26.20177579,34.34835627,4.293544533,17.17417824,-1.07E-14,0,0,0,37.37429562,4.671786953,2.896786548,34.34835627,17.17417813,26.20177579,34.34835627,4.293544533,17.17417824,-1.07E-14,0,0,0,37.37429562,4.671786953,2.896786548,34.34835627,17.17417813,26.20177579,34.34835627,4.293544533,17.17417824,-1.07E-14,0,0,0,37.37429562,4.671786953,2.896786548,34.34835627,17.17417813,26.20177579,34.34835627,4.293544533,17.17417824,-1.07E-14,0,0,0,37.37429562,4.671786953,2.896786548,34.34835627,17.17417813,26.20177579,34.34835627,4.293544533,17.17417824,-1.07E-14,0,0,0,37.37429562,4.671786953,2.896786548,34.34835627,17.17417813,26.20177579,34.34835627,4.293544533,17.17417824,-1.07E-14,0,0,0,37.37429562,4.671786953,2.896786548,41.93130259,20.8406513,31.56242572,41.74380259,5.217975324,20.8406513,-0.25,4.44E-16,5.55E-17,-28.28040497,45.93039862,5.741299828,3.061701742,0,11.89,12.11011416,-0.154946789,0.067275912,5.833687088,7.817070254,7,23,22,22,6,1,1,0,0,1,17.491312,3.581275478,3.214220279,2.57654467,2.333552793,2.333552793,1.454465531,1.02422922,0.674143209,1.914761909,1.721220895,1.249629723,1.249629723,1.219740449,0.56757451,0.370771011,0.227271189,3.602108533,3.248352482,2.621751748,2.405454588,2.405454588,1.541957817,1.138443481,0.81672093,1.862609836,1.647887556,1.134540686,1.134540686,1.131348929,0.430071549,0.214544321,0.05738939,3.696443493,3.399320309,2.819404068,2.704236987,2.704236987,1.907991536,1.598606993,1.366329772,1.715829994,1.429508109,0.858281705,0.76031856,0.76031856,0.023384284,0.3180118,0.537638115,3.617599043,3.273566294,2.655061203,2.457539916,2.457539916,1.605601454,1.22046107,0.917456426,1.829984397,1.600903315,1.073853148,1.058262671,1.058262671,0.338399532,0.109168453,0.058226829,3.744069716,3.472928014,2.913743212,2.838982085,2.838982085,2.072641442,1.797313974,1.593728153,1.672107689,1.361000466,0.769704149,0.631337262,0.631337262,0.181353099,0.511235136,0.761668497,3.616610227,3.267157465,2.755310147,2.571572866,2.571572866,1.648320681,1.258176739,1.032043252,1.827276765,1.588229904,0.959098051,0.935209229,0.935209229,0.272124371,0.029905598,0.18992527,0,0,0,2,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.666666667,0,0,0,0.577350269,0.333333333,0.666666667,0.384900179,0.222222222,0.444444444,6.568914101,3.625897658,3.365043969,1.321367205,0.666666667,0.666666667,0,0,0.821114263,0.51798538,0.420630496,0.264273441,0.166666667,0.166666667,0,0,6.309401077,3.309401077,2.872934051,0.88091147,0.444444444,0.444444444,0,0,0.788675135,0.472771582,0.359116756,0.176182294,0.111111111,0.111111111,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.78079,38.546,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,56,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,6,2,0,2,0,0,0,0,0,0,0,0,4,0,0,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.481481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.545833333,0,0,1.554166667,0.580555556,0,0.545833333,0,0,0,0,0,0,0,0,8.773333333,0,0,0,4.481481481,0,1.411851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.240740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,0.243402778,0.290277778,0,0.272916667,0,0,0,0,0,0,0,0,2.193333333,0,0,0,2.240740741,0,0.705925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.240740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,0.290277778,0.290277778,0,0.272916667,0,0,0,0,0,0,0,0,2.193333333,0,0,0,2.240740741,0,0.705925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66666667,1.833333333,0.290277778,2.240740741,0.243402778,0.705925926,5.644931852,0.627407407,0.240740741,2.50962963,0.627407407,0.240740741,2.50962963,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.5,0.25,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.58053,0.94757,8.87961,1.29907,0.16238,3.13674,0.39209,3.62588,0.48915,0.06114,0.28812,0.03601,0.28812,0.03601,0,7,0,0,0,0,0,0,0.75,0.918295834,1.78067213,2.125814584,2.125814584,2.125814584,1.827067709,22.03910002,42.73613111,51.01955001,51.01955001,51.01955001,43.84962501,0.200284263,0.388372234,0.463649285,0.463649285,0.463649285,0.398491309,3.666666667,2.804290371,2.459147917,2.459147917,2.459147917,2.757894792,0.200284263,0.388372234,0.463649285,0.463649285,0.463649285,0.398491309,6.73287657,13.09808847,13.44593168,13.44593168,13.44593168,9.860969176,31.59900002,24.45773065,24.7047625,24.7047625,24.7047625,21.1198,8,3.9375,7.2,8,2,6,2.34,1.1928,1.62865057,3.265986324,4,0,1,2.828427125,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.143,0.128,0.149,0.146,3.25,8,5,4,4,0,0,0,0,0,36,2.197224577,2.397895273,2.397895273,2.197224577,2.197224577,0,0,0,0,0,3.970291914,1.444444444,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,3,5,0.666666667,2.5,0.666666667,0.25,0.32,0,0,0,0,0,0,0.357142857,0.083333333,0.05,0.08,0,0,0,0,0,0,0.57047619,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,0,144.287877,4,3.433987204,4.043051268,4.779123493,5.424950017,6.150602768,6.814542897,7.529943371,8.204398418,8.912338567,70.292938,2.708050201,0,3.850147602,0,5.105945474,0,6.408528791,0,7.738488122,8.049746291,112.1252005,4.671883355,14.50192071,1.812740089,0,0,0,74,5,4.246,30,1.216818977,2.116182651,2.950074581,3.610238181,4.700005789,5.666650161,6.213569239,0,0,0,74.8973344,82.9572194,71.71476131,68.06663479,128.6004492,49.36710306,6.313384015,0,0,0,280.1875776,347.5594753,376.8933904,356.5450573,615.3873568,505.0601584,193.1409982,0,0,0,8.853389901,15.06170259,20.82490968,25.05251697,33.10667908,39.64069631,41.74564124,0,0,0,2.117696535,2.816048832,3.323251314,3.280392068,5.306293971,5.149674971,2.762633069,0,0,0,174.336371,327.5793316,467.9662034,606.6730573,752.2233511,922.8466757,1148.998634,0,0,0,2.751457552,4.034262809,5.549235034,5.365014477,7.936071069,9.598606654,6.213569239,0,0,0,0.438856414,0.591884016,0.708382955,0.706523964,1.128000691,1.12130219,0.63626949,0,0,0,349.8601934,162.3951509,9.307265828,68.11777906,-31.6183356,-3.743183764,281.7424143,194.0134864,13.05044959,0.837030218,0.38852562,0.02226736,0.162969782,-0.075645938,-0.008955457,146.2338543,67.87759589,3.8902321,28.47173118,-13.2157678,-1.56456836,0.123153069,0.18336069,1.174215596,0.720805803,417.9779724,0,1,0,453.1415631,21.287122,7.680885649,613.3487177,24.76587809,8.496417026,742.1140546,27.2417704,9.053646891,1.439046934,1.420198618,655.5648773,562.1784524,125.6026404,1.166115269,5.219355859,4.475848999,4.485901389,4.64334204,8.066663851,0.737253853,6.523979034,5.774260353,2.178430171,21.98217852,8.111593602,9.142621632,4.969352114,9.118576552,7.877267232,9.221110986,4.984474917,9.017314062,0.389465179,0.935600129,0.641204457,7.00E-09,1.47E-38,5.97E-90,4.68E-163,7.06E-258,0,0,0,0,0,0,0,0,0,0,0.547518569,5.766253469,0.178001184,8.132418498,1.285549088,0.627714696,0.858753951,2.108498744,2.259809519,1.248691707,0.164308596,0.362511633,0.028899414,0.006589727,0.004516055,4.93E-11,1.04E-40,4.21E-92,3.29E-165,4.97E-260,0,0,0,0,0,0,0,0,0,0,1.767441564,5.766788656,0.577785134,9.19322766,1.945133254,2.116556539,1.660396813,2.7350411,3.044734374,2.539227448,0.694944837,1.426545952,0.095785335,0.068668318,0.047060779,5.13E-10,1.08E-39,4.38E-91,3.43E-164,5.18E-259,0,0,0,0,0,0,0,0,0,0,6.158104407,5.773381321,2.05294196,20.50947526,7.434129112,8.533175037,4.704467041,8.404867283,7.405406642,8.613894739,4.529038543,8.238918291,0.36501668,0.833603021,0.571301627,6.23E-09,1.31E-38,5.32E-90,4.17E-163,6.29E-258,0,0,0,0,0,0,0,0,0,0,2.604880455,5.767482417,0.854761843,10.4458678,2.615784762,3.212601987,2.221809643,3.4039751,3.690962248,3.525144153,1.193792991,2.365587265,0.143693723,0.149156225,0.102222301,1.12E-09,2.35E-39,9.52E-91,7.46E-164,1.13E-258,0,0,0,0,0,0,0,0,0,0,7.878648096,5.777956532,2.646489354,28.14438438,10.91467207,11.49923858,5.965132156,12.08421421,9.769647961,11.60464583,6.852815344,12.18157874,0.482683511,1.364484145,0.935136439,1.02E-08,2.15E-38,8.71E-90,6.82E-163,1.03E-257,0,0,0,0,0,0,0,0,0,0,3.730276082,4.613100804,1.171423733,13.16985522,3.886901805,4.896972791,2.842945277,3.900065284,3.95743027,4.845551455,1.649040237,3.833658286,0.217097457,0.278361216,0.190771574,2.08E-09,4.38E-39,1.78E-90,1.39E-163,2.10E-258,0,0,0,0,0,0,0,0,0,0,6.090223651,1.676626487,0.502280921,0.736501043,0.202757276,0.666051433,0.564315069,0.333291817,8.269131059,14.11217093,27.51010769,0.604751565,1.563658318,4.869970714,0.976415952,0.143598702,0.8130188,0.16300807,0.425985548,0.191145919,0.027052643,5.989985368,5.594650627,12.26746464,0.7195282,0.64418411,5.354422443,1.254234343,0.286531272,0.776544802,0.181899947,0.514870364,0.315501393,0.108149488,6.895188058,8.60928735,17.42873362,0.664817203,0.938521245,6.059995887,1.659267625,0.493442322,0.737880549,0.202036656,0.659456187,0.552668064,0.321643786,8.212705834,13.86416629,27.03851115,0.606820823,1.533768036,5.570450256,1.378206453,0.350017446,0.763213994,0.1888297,0.55723242,0.381049973,0.161571633,7.298674155,10.10938156,20.09522033,0.644820992,1.099854026,6.184863579,1.7309778,0.529941998,0.732301943,0.204951716,0.68691356,0.601570672,0.371081224,8.445783376,14.90079835,29.02006738,0.598452915,1.659565456,6.062940559,1.662111079,0.492907725,0.737767162,0.202253504,0.660097984,0.554543495,0.321100624,8.217959363,13.8850183,27.07014716,0.606650743,1.535742103 +UMLMON0282,L,"2,5-dimethyl-3-hexene",CC(C)/C=C/C(C)C,638067,(cis) reported; RON from [9],UML,"[1], [9]",C8H16,PubChem,,87.5,0,1.8146,3.29277316,32.1022,17.22793,0,0,16,6,10,0,6,0,0,0,0,0,0,0,0,0,875.745366,842.391485,752.6521,587.221995,417.727634,248.233273,78.738912,9.144576,0,2851.938855,3264.950672,3486.882703,2927.143802,2243.069923,1558.996044,874.9221648,279.7536999,0,112.427736,108.8789,170.119696,168.499308,140.005064,111.51082,83.016576,60.466176,0,21.17952905,25.0799431,29.41289777,25.73074786,20.27014634,14.80954481,9.348943289,4.001516144,0,2609.942657,2165.197258,3760.399004,3882.112509,3264.155406,2646.198302,2028.241198,1664.258868,0,34,40,50,45,36,27,18,9,0,54.73408538,56.15943233,31.36050417,24.46758313,20.8863817,15.51457956,6.561576,1.016064,0,178.2461784,217.6633782,145.2867793,121.9643251,112.1534961,97.43725273,72.9101804,31.08374443,0,7.0267335,7.258593333,7.088320667,7.0208045,7.0002532,6.96942625,6.918048,6.718464,0,1.323720566,1.671996207,1.225537407,1.072114494,1.013507317,0.925596551,0.779078607,0.444612905,0,163.121416,144.3464838,156.6832919,161.7546879,163.2077703,165.3873939,169.0200999,184.917652,0,2.125,2.666666667,2.083333333,1.875,1.8,1.6875,1.5,1,0,0.04674774,-0.001606549,-0.023749121,-9.61E-04,-0.001320783,-0.004080672,0.001696035,0.006648559,0,453.9975338,-47.29140977,-105.9327579,-45.39975338,-52.96637894,-60.5330045,-68.09963006,153.2241676,0,844.2278004,-87.94039587,-196.9864868,-84.42278004,-98.49324338,-112.5637067,-126.6341701,284.9268826,0,0.088935,-0.009264062,-0.0207515,-0.0088935,-0.01037575,-0.011858,-0.01334025,0.030015562,0,3.774091068,-0.393134486,-0.880621249,-0.377409107,-0.440310625,-0.503212142,-0.56611366,1.273755736,0,20.50092258,-2.135512769,-4.783548602,-2.050092258,-2.391774301,-2.733456344,-3.075138387,6.919061371,0,3.75,-0.390625,-0.875,-0.375,-0.4375,-0.5,-0.5625,1.265625,0,0.002921734,-1.07E-04,-9.90E-04,-4.01E-05,-6.60E-05,-2.55E-04,1.41E-04,7.39E-04,0,28.37484586,-3.152760651,-4.413864911,-1.891656391,-2.648318947,-3.783312781,-5.674969172,17.02490752,0,52.76423752,-5.862693058,-8.207770282,-3.517615835,-4.924662169,-7.03523167,-10.5528475,31.65854251,0,0.005558437,-6.18E-04,-8.65E-04,-3.71E-04,-5.19E-04,-7.41E-04,-0.001111688,0.003335062,0,0.235880692,-0.026208966,-0.036692552,-0.015725379,-0.022015531,-0.031450759,-0.047176138,0.141528415,0,1.281307661,-0.142367518,-0.199314525,-0.085420511,-0.119588715,-0.170841022,-0.256261532,0.768784597,0,0.234375,-0.026041667,-0.036458333,-0.015625,-0.021875,-0.03125,-0.046875,0.140625,0,-0.036657442,-0.338684774,-0.013709579,-0.022602726,-0.087291329,0.048374092,0.2528392,0,-0.111111111,-0.155555556,-0.066666667,-0.093333333,-0.133333333,-0.2,0.6,0,-0.111111111,-0.155555556,-0.066666667,-0.093333333,-0.133333333,-0.2,0.6,0,-0.111111111,-0.155555556,-0.066666667,-0.093333333,-0.133333333,-0.2,0.6,0,-0.111111111,-0.155555556,-0.066666667,-0.093333333,-0.133333333,-0.2,0.6,0,-0.111111111,-0.155555556,-0.066666667,-0.093333333,-0.133333333,-0.2,0.6,0,-0.111111111,-0.155555556,-0.066666667,-0.093333333,-0.133333333,-0.2,0.6,0,1.185766607,1.393910782,1.044791884,1.023238989,1.071155979,0.506780121,0,0,1.333333333,1.166666667,1,1,1,1,0,0,1.333333333,1.166666667,1,1,1,1,0,0,1.333333333,1.166666667,1,1,1,1,0,0,1.333333333,1.166666667,1,1,1,1,0,0,1.333333333,1.166666667,1,1,1,1,0,0,1.333333333,1.166666667,1,1,1,1,0,0,18.8488578,9.424428901,15.07018021,18.8488578,3.1414763,9.424659965,-5.33E-15,7.77E-16,1.30E-16,-20.87453425,16.67416445,2.779027408,1.688316289,18.8488578,9.424428901,15.07018021,18.8488578,3.1414763,9.424659965,-5.33E-15,7.77E-16,1.30E-16,-20.87453425,16.67416445,2.779027408,1.688316289,18.8488578,9.424428901,15.07018021,18.8488578,3.1414763,9.424659965,-5.33E-15,7.77E-16,1.30E-16,-20.87453425,16.67416445,2.779027408,1.688316289,18.8488578,9.424428901,15.07018021,18.8488578,3.1414763,9.424659965,-5.33E-15,7.77E-16,1.30E-16,-20.87453425,16.67416445,2.779027408,1.688316289,18.8488578,9.424428901,15.07018021,18.8488578,3.1414763,9.424659965,-5.33E-15,7.77E-16,1.30E-16,-20.87453425,16.67416445,2.779027408,1.688316289,18.8488578,9.424428901,15.07018021,18.8488578,3.1414763,9.424659965,-5.33E-15,7.77E-16,1.30E-16,-20.87453425,16.67416445,2.779027408,1.688316289,18.8488578,9.424428901,15.07018021,18.8488578,3.1414763,9.424659965,-5.33E-15,7.77E-16,1.30E-16,-20.87453425,16.67416445,2.779027408,1.688316289,0,11.89,12.11007471,-0.178678499,0.045109307,5.248219038,6.900135203,5,15,13,13,3,2,2,0,0,2,10.93207,3.521880838,3.045220587,2.358284477,1.866784719,0.953482259,0.66324231,0.083923071,0.083923071,1.833640916,1.575990499,1.163809179,0.783300194,0.32602831,0.222587669,0.083923071,0.083923071,3.540964925,3.07939009,2.419157866,1.937250711,1.068322127,0.80668311,0.270913902,0.270913902,1.783855335,1.497166991,1.06018134,0.666234988,0.16654553,0.052301233,0.270913902,0.270913902,3.627926087,3.233963919,2.677405435,2.233240712,1.536550831,1.359005635,0.943918427,0.943918427,1.645923552,1.265452069,0.726697407,0.289258124,0.378165973,0.544583119,0.943918427,0.943918427,3.555180788,3.104829895,2.463585389,1.988507969,1.151255397,0.907989608,0.399277246,0.399277246,1.752925088,1.446862033,0.991704398,0.58894612,0.058866249,0.063618316,0.399277246,0.399277246,3.672225991,3.311020113,2.79619407,2.368044362,1.739844151,1.58726202,1.207644823,1.207644823,1.605398607,1.194246822,0.613682596,0.160622047,0.575689177,0.769539125,1.207644823,1.207644823,3.567035818,3.126016962,2.5,2.030411667,1.218564723,0.988954413,0.5,0.5,1.730340271,1.409495677,0.93954135,0.530068508,0.024498579,0.153963644,0.5,0.5,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.309401077,2.154700538,1.051566846,0.496011291,0.222222222,0.111111111,0,0,0.718233513,0.430940108,0.262891712,0.165337097,0.111111111,0.111111111,0,0,8.709139019,15.43918427,14.62745098,14.8,9.992772455,121.8839701,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,1.99098,29.088,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,2,0,4,0,0,0,0,0,0,0,0,2,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.568194444,0,0,0,0.631805556,0,1.568194444,0,0,0,0,0,0,0,0,4,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.3775,0,0,0,0.315902778,0,0.3775,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0.315902778,0,0.406597222,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,2,0.406597222,2,0.315902778,2,3.968,0,0,0,0,0,0,3,0.5,0,0,0.45,0.7,0.42,0.42,0.7,0.03,0.03,0,0,0.71429,0,0,0.33333,0,0,5.5,0.91667,2.5,0.41667,3,0.5,0.5,0.08333,0,0,2.93006,0.48834,5.31294,2.38289,0.39715,1.49443,0.24907,2.91421,1.41979,0.23663,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,0.333333333,0.954434003,2.155639062,2.405639062,2.405639062,2.405639062,2.030639062,15.27094405,34.490225,38.490225,38.490225,38.490225,32.490225,0.238608501,0.538909766,0.601409766,0.601409766,0.601409766,0.507659766,3.045565997,1.844360938,1.594360938,1.594360938,1.594360938,1.969360938,0.233502796,0.527378265,0.588540901,0.588540901,0.588540901,0.496796947,6.794779896,14.53870385,14.7906601,14.7906601,14.7906601,10.2906601,23.34095565,18.68383437,18.18383437,18.18383437,18.18383437,13.68383437,6,5,5.333333333,6,4,6,2.12,0.868,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.327,0.312,2.648,4,3,2,1,0,0,0,0,0,21,2.079441542,2.197224577,2.197224577,2.197224577,1.609437912,0,0,0,0,0,3.737669618,1.952380952,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,3,0.6,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,107.0594491,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,82.07825032,5.129890645,10.83915043,1.806525072,0,0,0,35,3,3.004,18,1.202176708,2.106534355,2.970960723,3.793252237,5.087908838,6.104431777,7.181802748,0,0,0,77.24071726,75.0088107,86.58740662,98.14648777,91.06909555,43.62497854,7.297171227,0,0,0,284.3970026,331.7595601,397.317157,489.1156102,534.7587363,472.0037217,223.2373212,0,0,0,8.757237373,14.99067839,20.9187458,26.73699479,35.5657715,42.35924728,48.25068322,0,0,0,2.133346121,2.73901387,3.38423821,4.262622284,4.960695833,4.971166346,3.193122182,0,0,0,171.5921465,325.8147792,476.5174644,605.3349852,833.5967396,1021.536581,1328.042101,0,0,0,3.35301058,4.59324712,5.816869882,7.394993292,8.923087838,9.478555317,7.181802748,0,0,0,0.441493378,0.57735917,0.718190574,0.907402394,1.067372995,1.089373213,0.735416601,0,0,0,274.1364221,109.5973212,9.973655248,119.1274917,-47.6261194,-7.497918936,155.0089304,157.2234406,17.47157418,0.697080033,0.278686443,0.025361227,0.302919967,-0.121104728,-0.019065871,107.8079623,43.10067148,3.922278699,46.84854365,-18.72963412,-2.948660947,0.153654786,0.21790379,2.943671335,5.982477229,393.2639139,0,1,0,358.1299464,18.92432156,7.101447476,458.8066179,21.41977166,7.712761309,498.1392207,22.3190327,7.92714701,2.276387712,2.276387712,426.0824632,410.1417476,22.33174205,1.038866357,19.0796787,18.36586446,3.471876169,4.457003212,7.704792387,0.728693479,4.310662739,2.884258379,2.27550453,7.587006891,3.103329083,2.080720374,2.563655308,2.76664836,3.917491965,0.863620748,0.877133705,1.636764922,3.97130169,0.03498373,3.28E-04,6.87E-28,2.78E-73,2.16E-140,3.25E-229,0,0,0,0,0,0,0,0,0,0,0,0.361779719,2.880785181,0.188107211,3.564820428,0.032373333,0.07736169,0.345326773,0.188389196,1.6114152,0.072313201,0.007215871,0.161046497,0.138258914,2.46E-04,2.31E-06,4.84E-30,1.96E-75,1.52E-142,2.29E-231,0,0,0,0,0,0,0,0,0,0,0,1.16783093,2.881017342,0.609117613,3.867360878,0.254785289,0.236801361,0.797826366,0.637001994,2.046820987,0.233544223,0.066926793,0.462231248,0.574824105,0.002567611,2.41E-05,5.04E-29,2.04E-74,1.59E-141,2.39E-230,0,0,0,0,0,0,0,0,0,0,0,4.06891495,2.883877079,2.145921294,7.157352748,2.77225146,1.869815408,2.427741668,2.581333925,3.763822801,0.815074267,0.782183754,1.54640805,3.614298625,0.031169874,2.92E-04,6.12E-28,2.47E-73,1.93E-140,2.90E-229,0,0,0,0,0,0,0,0,0,0,0,1.721159818,2.881318283,0.899634005,4.228990944,0.527549421,0.420330011,1.108544767,0.968020922,2.356198762,0.344310883,0.142910906,0.668997264,0.977199643,0.005577191,5.23E-05,1.10E-28,4.43E-74,3.45E-141,5.19E-230,0,0,0,0,0,0,0,0,0,0,0,5.205745989,2.885861679,2.757330181,9.38608103,4.491612452,2.961820026,3.067006278,3.483980391,4.50064435,1.043483693,1.276031275,1.971332157,5.432039104,0.051020478,4.78E-04,1.00E-27,4.05E-73,3.16E-140,4.75E-229,0,0,0,0,0,0,0,0,0,0,0,2.15533992,2.881635119,1.128451668,4.600502248,0.810029507,0.606565072,1.35240813,1.240905993,2.604934768,0.431275435,0.222480668,0.831247088,1.351464626,0.008745936,8.20E-05,1.72E-28,6.94E-74,5.41E-141,8.14E-230,0,0,0,0,0,0,0,0,0,0,0,6.77876478,0.766486393,0.198168897,0.875422581,0.098985511,0.622827648,0.432944667,0.249989744,7.74342007,6.691065067,15.46413723,0.813133871,1.305762059,4.957738384,0.233060855,0.038907166,0.947995547,0.044564807,0.333600807,0.040309833,0.009636302,5.229706404,1.357414033,6.632075906,0.921993321,0.383546942,5.64011937,0.433603122,0.098630571,0.913771347,0.070249242,0.43142602,0.139272977,0.061926181,6.172353063,3.044628083,9.458189443,0.87065702,0.632625178,6.729330951,0.752070211,0.193849903,0.876757111,0.097986399,0.613785995,0.416917858,0.239211682,7.675251066,6.511198241,15.16750997,0.815135667,1.269915536,5.960955668,0.527591822,0.126690497,0.901094667,0.07975402,0.481791217,0.20593081,0.102173739,6.615237987,3.966988764,10.98066221,0.851642,0.789895765,6.93510672,0.812061573,0.211827137,0.87135453,0.102030662,0.65186083,0.485566739,0.28563696,7.95899543,7.272794155,16.42474361,0.807031794,1.423064529,6.723443508,0.750353092,0.193335509,0.876917655,0.097866201,0.612713587,0.41502873,0.237943838,7.667132109,6.489906898,15.13240827,0.815376482,1.265686155 +UMLMON0283,L,"2,4-hexadiene",C/C=C/C=C/C,638071,,UML,[1],C6H10,PubChem,,80.7,0,-0.038,0.001444,35.3026,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1190.529654,1013.078141,826.396372,643.778859,461.161346,278.543833,84.835296,3885.475125,4800.404174,5835.09088,5418.88368,4464.654462,3634.760223,2804.865983,1974.971743,1061.424631,167.819552,166.665724,297.486168,362.252084,293.047888,250.717548,208.387208,166.056868,123.32736,29.42500648,37.33900896,50.13168111,49.55779744,40.76058708,33.74182834,26.7230696,19.70431086,12.01662072,3973.037281,3337.521256,6591.128897,8625.609131,6929.941219,5973.943916,5017.946613,4061.94931,3137.747111,41,48.5,72.25,79.25,64.75,54.25,43.5,34,24,48.76541633,52.3287937,28.34594414,19.48227194,19.6761041,17.88274608,15.37204487,11.60599304,4.713072,161.8947969,208.713225,138.9307352,104.2093015,106.3012967,100.9655617,93.49553276,82.29048929,58.96803508,6.992481333,7.246335826,7.083004,6.966386231,6.977330667,6.964376333,6.946240267,6.919036167,6.85152,1.226041937,1.623435172,1.193611455,0.953034566,0.970490169,0.93727301,0.890768987,0.821012953,0.66759004,165.54322,145.1096198,156.9316404,165.8770987,164.9986005,165.9428866,167.2648871,169.2478879,174.3192839,1.708333333,2.108695652,1.720238095,1.524038462,1.541666667,1.506944444,1.45,1.416666667,1.333333333,0.048042929,-0.004267344,-0.021216894,-0.001813525,-2.64E-04,6.86E-05,-0.001591007,0.001200155,-9.49E-04,645.6853813,-53.80711511,-242.132018,13.45177878,-40.35533633,-40.35533633,-40.35533633,-40.35533633,-2.74E-13,1200.679538,-100.0566282,-450.2548269,25.01415705,-75.04247115,-75.04247115,-75.04247115,-75.04247115,8.53E-14,0.126485333,-0.010540444,-0.047432,0.002635111,-0.007905333,-0.007905333,-0.007905333,-0.007905333,-1.09E-15,5.367596186,-0.447299682,-2.01284857,0.111824921,-0.335474762,-0.335474762,-0.335474762,-0.335474762,-4.47E-15,29.15686767,-2.429738973,-10.93382538,0.607434743,-1.822304229,-1.822304229,-1.822304229,-1.822304229,4.15E-14,3.5,-0.5625,-0.875,-0.125,-0.25,-0.125,-0.25,0.25,-0.375,0.002001789,-1.86E-04,-5.05E-04,-3.49E-05,-6.29E-06,1.90E-06,-5.30E-05,5.00E-05,-5.27E-05,26.90355756,-2.339439787,-5.765048048,0.258688053,-0.960841341,-1.120981565,-1.345177878,-1.681472347,-1.52E-14,50.0283141,-4.350288182,-10.72035302,0.481041482,-1.786725503,-2.084513087,-2.501415705,-3.126769631,4.74E-15,0.005270222,-4.58E-04,-0.001129333,5.07E-05,-1.88E-04,-2.20E-04,-2.64E-04,-3.29E-04,-6.03E-17,0.223649841,-0.019447812,-0.047924966,0.002150479,-0.007987494,-0.009318743,-0.011182492,-0.013978115,-2.48E-16,1.214869486,-0.105640825,-0.260329176,0.011681437,-0.043388196,-0.050619562,-0.060743474,-0.075929343,2.31E-15,0.145833333,-0.024456522,-0.020833333,-0.002403846,-0.005952381,-0.003472222,-0.008333333,0.010416667,-0.020833333,-0.092685449,-0.25235638,-0.017422159,-0.003144619,9.52E-04,-0.026493089,0.024980877,-0.0263425,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,-5.65E-16,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,9.47E-17,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,-1.14E-14,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,-1.11E-15,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,1.90E-15,-0.167701863,-0.142857143,-0.016483516,-0.040816327,-0.023809524,-0.057142857,0.071428571,-0.142857143,1.420179723,1.328515501,1.037280547,1.052505826,0.981226352,0.903692839,0.669706074,0.604795484,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.571428571,1.173469388,0.963598901,0.99744898,0.935515873,0.903571429,0.75297619,1.095238095,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,44.7670589,22.30019612,35.82675439,44.6420589,5.580257363,22.30019612,-0.166666667,0.158085531,0.019760691,-1.475695247,39.18655619,4.898319524,2.934666987,0,11.89,12.11011416,-0.160379096,0.061052222,5.128426353,7.339204103,7,23,22,22,6,1,1,0,0,1,17.491312,3.527490705,3.234110572,2.831210223,2.392754557,1.842618743,1.505597868,1.2138498,0.750244665,1.897571247,1.734535424,1.470969949,1.160038899,0.875561505,0.676142288,0.551222741,0.260450516,3.551173607,3.268388379,2.876716151,2.448828435,1.923404201,1.601924298,1.330322032,0.886687543,1.84104913,1.662807566,1.383217965,1.058030055,0.746913597,0.536249299,0.398519435,0.093346384,3.657561912,3.418589157,3.073950685,2.68992671,2.261475488,1.995116805,1.791984456,1.417565245,1.679235415,1.448403886,1.112541047,0.736584028,0.325018697,0.067363139,0.125331865,0.488991305,3.568742156,3.29362483,2.910129036,2.489924856,1.982138152,1.671367871,1.413421059,0.983429672,1.805433811,1.616809906,1.326202038,0.99118314,0.661328654,0.442472911,0.295320977,0.02019177,3.71068298,3.491190721,3.167537655,2.802732236,2.414061303,2.167815127,1.988672893,1.639106613,1.63025996,1.380651064,1.02454834,0.629922767,0.178847098,0.099571477,0.317320309,0.706696498,3.606424235,3.308759618,2.985936889,2.580127997,2.050735357,1.75082089,1.495311531,1.142058977,1.789206489,1.565224221,1.2412358,0.868080487,0.562276236,0.328787169,0.180828733,0.186892212,0,0,0,2,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.983127663,3.564043477,2.021881336,1.12671313,0.606493072,0.319035594,0.166666667,0.083333333,0.747890958,0.509149068,0.336980223,0.225342626,0.151623268,0.106345198,0.083333333,0.083333333,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,6,2,0,2,0,0,0,0,0,0,0,0,2,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.499166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.590069444,0,0,1.509930556,0.580555556,0,0.590069444,0,0,0,0,0,0,0,0,4.391102608,0,5.109730726,0,4.499166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.231805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,0.216944444,0.290277778,0,0.290694444,0,0,0,0,0,0,0,0,2.169092971,0,1.184240363,0,2.231805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.299375,0,0,0.290277778,0.290277778,0,0.299375,0,0,0,0,0,0,0,0,2.222009637,0,1.34375,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,1.75,0.299375,2.267361111,0.216944444,1.184240363,5.619613203,0.315759637,0.267361111,1.780538549,0.315759637,0.267361111,1.780538549,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.25,0,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,6.79509,0.84939,7.95768,1.16259,0.14532,3.37132,0.42142,3.91421,0.54289,0.06786,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,0.75,0.918295834,1.947338796,3.105388542,3.772055209,3.772055209,3.340199877,22.03910002,46.73613111,74.52932501,90.52932501,90.52932501,80.16479704,0.200284263,0.424722949,0.677298569,0.822701431,0.822701431,0.728511929,3.666666667,2.637623705,1.479573959,0.812907292,0.812907292,1.244762624,0.200284263,0.424722949,0.677298569,0.822701431,0.822701431,0.728511929,6.73287657,15.09808847,19.01324374,20.60114167,19.68512709,17.98813392,31.59900002,21.28780565,17.50651667,14.40739375,15.48446146,18.47455824,8,7,7.2,8,2,8,2.34,1.1928,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.706,6,5,4,3,2,1,0,0,0,36,2.197224577,2.197224577,2.197224577,2.079441542,1.945910149,1.609437912,1.098612289,0,0,0,3.951243719,1.416666667,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,144.287877,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,112.1252005,4.671883355,14.83110795,1.853888494,0,0,0,84,5,4.376,26,1.21491647,2.112388427,2.884732475,3.676861661,5.017466604,6.005538969,7.303275782,8.327159106,9.506168774,0,74.61528623,68.01987791,68.7206182,92.71856511,105.6656768,109.0687148,95.32656985,42.17724749,9.658875869,0,279.3641124,317.1768911,333.0069876,459.0598198,554.8436602,620.4878129,639.6440977,513.1410591,295.4873207,0,8.839019751,15.01756954,20.15599712,25.84965546,35.0638784,41.89459652,50.65342522,57.15917528,63.86685268,0,2.112294483,2.667387726,2.936688603,4.015164904,5.005547461,5.743610316,6.257840875,5.735890224,4.226565312,0,174.0966549,327.4819071,474.4081433,592.0601579,823.795877,991.0034029,1226.801219,1443.182717,1757.858409,0,2.65122145,3.76061571,4.552120697,6.097375357,7.842767453,9.081531114,10.63998075,11.36712376,9.506168774,0,0.437767745,0.563911328,0.627515721,0.855664116,1.072987036,1.236160898,1.35911085,1.271000228,0.973431682,0,379.8134467,182.7262273,10.68406917,100.5098901,-48.35477304,-6.538599772,279.3035567,231.0810003,17.22266895,0.790745353,0.38042338,0.022243494,0.209254647,-0.100671296,-0.013612913,182.4332621,87.7676712,5.131807756,48.27724578,-23.22592594,-3.140642061,0.118262635,0.183312312,1.771175331,1.441231248,480.3233368,0,1,0,457.004067,21.37765345,7.702647468,617.1871281,24.84325116,8.514104049,686.2277545,26.1959492,8.820423271,2.631176076,2.631176076,999.4774225,974.1966661,44.2518466,1.025950362,22.58611785,22.01482516,4.432616101,5.923847408,10.53159396,0.777830054,6.513861769,5.891083686,3.040135942,24.21113781,10.96470277,1.555880551,5.228416944,6.390668207,14.83562422,0.064099471,2.53374554,9.060413122,1.878364206,10.62002715,0.001403402,3.64184294,2.8836637,0.632239877,5.34E-04,0.905002288,2.96E-10,1.87E-41,2.27E-94,5.34E-169,2.42E-265,0,0,0,0,0,0.546671377,5.884945006,0.250810018,6.125804002,0.083825341,0.129041637,0.885272614,0.069760438,4.251272308,4.54E-04,0.109266053,0.659693809,0.052321225,2.294130951,9.90E-06,0.104925175,0.083239738,0.047470239,3.81E-06,0.006374005,2.09E-12,1.32E-43,1.60E-96,3.76E-171,1.70E-267,0,0,0,0,0,1.764702152,5.885355357,0.812496842,7.430380496,0.821703934,0.414356167,1.771558833,0.532627555,5.565079007,0.004710786,0.412623501,2.107477275,0.238295577,3.448382555,1.03E-04,0.464335362,0.371909172,0.15692265,3.93E-05,0.066422048,2.17E-11,1.37E-42,1.67E-95,3.92E-170,1.77E-266,0,0,0,0,0,6.148554649,5.890409766,2.866660578,22.25951601,9.773897285,1.466431344,4.962447103,5.711012463,13.88812861,0.057113149,2.317563496,8.451677561,1.70050568,9.917433433,0.001250419,3.297057141,2.612123009,0.592934325,4.76E-04,0.806340745,2.64E-10,1.66E-41,2.03E-94,4.76E-169,2.15E-265,0,0,0,0,0,2.600842094,5.885887261,1.200355825,9.034688703,1.76860956,0.61197749,2.380038432,1.09603309,6.718364474,0.010226473,0.67773825,3.180607851,0.421414034,4.402633528,2.24E-04,0.818707827,0.65408742,0.23500124,8.53E-05,0.144277563,4.72E-11,2.98E-42,3.62E-95,8.51E-170,3.85E-266,0,0,0,0,0,7.866429607,5.893917392,3.685519619,32.39592515,15.969461,1.889454128,6.213280811,9.239459909,18.68386685,0.093475123,3.411103498,11.42152727,2.611911213,13.44042562,0.002046672,5.064057147,4.002713531,0.781751871,7.79E-04,1.319860783,4.32E-10,2.72E-41,3.32E-94,7.78E-169,3.52E-265,0,0,0,0,0,3.741512231,5.333740167,1.789620042,12.05155298,3.606420606,0.86804387,3.433995635,2.180649903,8.520043909,0.020939344,1.10614376,4.566808119,0.730178786,5.771779523,4.58E-04,1.352918556,1.20606597,0.38915216,1.75E-04,0.295510951,9.67E-11,6.10E-42,7.42E-95,1.74E-169,7.89E-266,0,0,0,0,0,10.32157244,0.80988251,0.392162361,0.895688581,0.070280233,0.584931463,0.630249888,0.499988149,11.52361731,12.72459864,27.52640348,0.843532872,1.7151695,8.610262589,0.309979716,0.084544021,0.956187329,0.034423884,0.407448128,0.09314336,0.02323773,9.004786327,3.423159908,12.6535948,0.934280994,0.523829217,9.28971938,0.508744813,0.206720041,0.928490587,0.05084812,0.474069349,0.250166831,0.138929047,10.00518423,6.751635464,17.73379857,0.89273588,0.863165228,10.27918469,0.797526865,0.384546598,0.896863551,0.069584583,0.580147126,0.611329329,0.480757247,11.46125815,12.45743768,27.07118036,0.845295327,1.672233703,9.592679969,0.597243866,0.261178922,0.917862946,0.057146493,0.505407519,0.34422824,0.221770687,10.45110276,8.390562584,20.33800359,0.87679442,1.071406446,10.45428299,0.848558908,0.416005283,0.892091417,0.07240976,0.600038176,0.691298461,0.562633497,11.71884718,13.5731169,28.98237813,0.838137126,1.853970134,10.29639466,0.797475877,0.384900095,0.896994547,0.06947398,0.582068666,0.610880318,0.481641533,11.47877063,12.48115819,27.12039214,0.84549182,1.674590517 +UMLMON0284,L,trans-3-octene,CCCC/C=C/CC,638228,Sandia values from independent api report ,Sandia,,C8H16,PubChem,,68.1,0,0.9262,0.85784644,29.3132,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,803.11258,630.655707,447.02213,264.404617,81.787104,9.144576,0,2914.106344,3494.423905,4007.996657,3488.939862,2627.961878,1798.067638,968.1733981,279.7536999,0,125.864664,123.114164,212.027152,236.881452,187.832648,145.502308,103.171968,60.466176,0,22.06875486,27.30703172,34.75630082,32.18367113,24.72029948,17.70154074,10.682782,4.001516144,0,2979.777961,2471.442353,4742.724499,5635.903716,4494.988761,3538.991458,2582.994154,1664.258868,0,32.5,38.25,53,53.5,42,31.5,21,9,0,48.76541633,50.97680359,26.77041933,18.54869726,16.55637519,12.59069605,5.4524736,1.016064,0,161.8947969,205.5543474,133.5998886,102.6158783,97.33192139,85.62226847,64.54489321,31.08374443,0,6.992481333,7.242009647,7.067571733,6.967101529,6.956764741,6.928681333,6.8781312,6.718464,0,1.226041937,1.606295984,1.158543361,0.946578563,0.915566648,0.842930512,0.712185467,0.444612905,0,165.54322,145.3789619,158.0908166,165.761874,166.4810652,168.5234028,172.1996103,184.917652,0,1.805555556,2.25,1.766666667,1.573529412,1.555555556,1.5,1.4,1,0,0.040002738,-0.00278122,-0.020139622,-0.001100626,4.31E-04,-0.00173934,-2.93E-04,0.00562097,0,484.264036,-53.80711511,-161.4213453,-26.90355756,-40.35533633,-40.35533633,-40.35533633,121.066009,0,900.5096538,-100.0566282,-300.1698846,-50.0283141,-75.04247115,-75.04247115,-75.04247115,225.1274134,0,0.094864,-0.010540444,-0.031621333,-0.005270222,-0.007905333,-0.007905333,-0.007905333,0.023716,0,4.025697139,-0.447299682,-1.341899046,-0.223649841,-0.335474762,-0.335474762,-0.335474762,1.006424285,0,21.86765075,-2.429738973,-7.289216918,-1.214869486,-1.822304229,-1.822304229,-1.822304229,5.466912688,0,3.111111111,-0.438271605,-0.87962963,-0.237654321,-0.166666667,-0.018518519,-0.509259259,0.694444444,0,0.002222374,-1.64E-04,-6.71E-04,-3.24E-05,1.60E-05,-8.28E-05,-1.95E-05,6.25E-04,0,26.90355756,-3.165124418,-5.380711511,-0.791281105,-1.494642086,-1.921682683,-2.690355756,13.45177878,0,50.0283141,-5.885684011,-10.00566282,-1.471421003,-2.779350783,-3.573451007,-5.00283141,25.01415705,0,0.005270222,-6.20E-04,-0.001054044,-1.55E-04,-2.93E-04,-3.76E-04,-5.27E-04,0.002635111,0,0.223649841,-0.026311746,-0.044729968,-0.006577937,-0.012424991,-0.015974989,-0.022364984,0.111824921,0,1.214869486,-0.142925822,-0.242973897,-0.035731455,-0.067492749,-0.086776392,-0.121486949,0.607434743,0,0.172839506,-0.025780683,-0.029320988,-0.006989833,-0.00617284,-8.82E-04,-0.033950617,0.077160494,0,-0.073615485,-0.302073659,-0.014566106,0.007186887,-0.037269021,-0.008782605,0.281029244,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.149159664,-0.169642857,-0.040441176,-0.035714286,-0.005102041,-0.196428571,0.446428571,0,1.360986915,1.377599631,1.010757438,0.960329614,0.903051764,0.61620132,0.003719356,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.526785714,1.161160714,0.944196429,0.936011905,0.878188776,1.092857143,0,0,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,24.51389036,12.20138963,20.14622415,24.43981629,4.073302715,12.20140297,-0.111111111,0.186385835,0.031064306,-1.007961824,40.95256977,6.825428295,2.227448737,0,11.89,12.11007471,-0.181125823,0.043355217,5.090583876,6.867637229,5,17,16,16,4,1,1,0,0,1,13.118484,3.481399334,3.049930099,2.428688263,1.891521341,1.331311296,0.765847009,0.083923071,0.083923071,1.863783038,1.611524163,1.239148958,0.863568446,0.602169637,0.264964675,0.083923071,0.083923071,3.505841441,3.088836534,2.489259763,1.967536665,1.439322469,0.900454728,0.270913902,0.270913902,1.805414244,1.532245906,1.133409581,0.741875589,0.454381641,0.09844123,0.270913902,0.270913902,3.615755954,3.258909237,2.747078453,2.284983883,1.873215159,1.426223898,0.943918427,0.943918427,1.638161172,1.292529721,0.79650392,0.344649558,0.048210994,0.480977355,0.943918427,0.943918427,3.523980836,3.11746945,2.533503899,2.022738466,1.516763663,0.996044729,0.399277246,0.399277246,1.768615858,1.481153979,1.063829824,0.661089052,0.354796896,0.014648039,0.399277246,0.399277246,3.670672848,3.340669691,2.86633473,2.428306665,2.060498847,1.646329442,1.207644823,1.207644823,1.587536355,1.216048922,0.683298907,0.207422135,0.230283037,0.697079997,1.207644823,1.207644823,3.551518429,3.152426137,2.604035092,2.094515748,1.568267128,1.124870062,0.545454545,0.545454545,1.76090306,1.401965688,0.980750265,0.562223677,0.269870672,0.152808039,0.545454545,0.545454545,0,0,0,2,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.568914101,2.526038674,1.357710728,0.691044062,0.333333333,0.166666667,0,0,0.761485683,0.505207735,0.339427682,0.230348021,0.166666667,0.166666667,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,2,0,2,0,0,0,0,0,0,0,0,2,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.650416667,0,0,0.759305556,0.580555556,0,0.650416667,0,0,0,0,0,0,0,0,4.231805556,0,2.500833333,0,4.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.225625,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.05125,0,1.232638889,0,2.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.334097222,0,0,0.290277778,0.290277778,0,0.334097222,0,0,0,0,0,0,0,0,2.180555556,0,1.268194444,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.334097222,2.180555556,0.225625,1.232638889,4.228402778,0.267361111,0.180555556,0.998333333,0.267361111,0.180555556,0.998333333,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.33333,0,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.28976,0.71496,5.31294,1.02318,0.17053,2.31066,0.38511,2.91421,0.60355,0.10059,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.102187171,3.308270835,3.419381946,3.419381946,2.775772918,16.52932501,37.83936908,59.54887502,61.54887502,61.54887502,49.96391252,0.220218789,0.504130691,0.793364589,0.820010419,0.820010419,0.66566495,3.251629167,2.06773783,0.861654167,0.750543056,0.750543056,1.394152084,0.220218789,0.504130691,0.793364589,0.820010419,0.820010419,0.66566495,6.73287657,16.17613249,18.61300657,18.72498713,18.72498713,12.98339237,23.69925001,15.20198837,13.03809584,12.79699306,12.79699306,10.42172153,6,5,5.333333333,6,2,6,2.12,0.911,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,2.708,4,3,2,1,0,0,0,0,0,21,1.945910149,1.945910149,1.791759469,1.609437912,1.098612289,0,0,0,0,0,3.401197382,1.380952381,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,109.6959078,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,84.09390038,4.671883355,10.83915043,1.806525072,0,0,0,35,3,3.343,18,1.206396379,2.097560557,2.898270293,3.689440838,5.016571418,5.99594228,7.182363778,0,0,0,71.97818168,64.20430444,65.33198828,77.59701671,73.51567691,36.07314604,7.29774127,0,0,0,272.466058,304.0471556,327.7869634,417.4182393,464.6184647,412.5039816,223.2547601,0,0,0,8.770268591,14.88192187,20.25060516,25.84371741,34.85999438,41.36253993,48.25445248,0,0,0,2.070684068,2.577944778,2.920701163,3.76785113,4.459588917,4.474106304,3.193371623,0,0,0,173.2968481,327.4386323,476.4063524,600.8199303,837.7631565,1022.808106,1328.145846,0,0,0,2.817128738,3.849535568,4.731434682,6.177957611,7.810716733,8.699108817,7.182363778,0,0,0,0.429539376,0.545864906,0.625019011,0.807247933,0.965569602,0.985940205,0.735474051,0,0,0,290.3297615,109.9011876,8.690774595,80.98027751,-30.65420723,-5.233690643,209.349484,140.5553948,13.92446524,0.781906577,0.295982268,0.023405709,0.218093423,-0.082556904,-0.014095204,107.8023551,40.80741426,3.226971854,30.06879,-11.38221488,-1.943321877,0.150280215,0.240483033,2.270637715,2.208357191,371.310039,0,1,0,332.8191526,18.24333173,6.930045779,453.1269584,21.28677896,7.68080313,469.5227006,21.6684725,7.772347296,2.273015496,2.191724646,438.4515012,421.8972962,29.22268042,1.039237523,15.00380851,14.43732369,3.621421223,4.500141067,7.773662527,0.72742641,4.957758093,3.96841599,2.315873131,14.85138041,5.773402976,2.57295371,2.916125814,6.167054752,5.620474118,0.840282009,0.870622834,1.679547081,4.008329187,0.005204749,0.011908209,2.44E-23,9.67E-66,7.38E-130,1.09E-215,3.0E-323,0,0,0,0,0,0,0,0,0,0,0.416078041,3.963670072,0.19079742,4.101176477,0.047931533,0.085888633,0.593350463,0.205393211,2.141268466,0.026120004,0.028795689,0.189610379,0.14977624,3.68E-05,8.39E-05,1.72E-25,6.81E-68,5.20E-132,7.65E-218,0,0,0,0,0,0,0,0,0,0,0,1.343131765,3.963987311,0.618261643,4.88698261,0.442410538,0.362114214,1.067138608,0.868728711,2.618498086,0.113574351,0.122094482,0.492342488,0.606461938,3.82E-04,8.74E-04,1.79E-24,7.10E-67,5.42E-131,7.98E-217,0,0,0,0,0,0,0,0,0,0,0,4.679719695,3.967894968,2.183545591,13.69496595,5.149003236,2.338822474,2.773806953,5.606252537,5.325069496,0.762586299,0.791303318,1.587840458,3.655040252,0.004637443,0.01061,2.18E-23,8.62E-66,6.58E-130,9.68E-216,3.0E-323,0,0,0,0,0,0,0,0,0,0,1.979525084,3.964398531,0.913575714,5.844638472,0.943087512,0.620452978,1.392480217,1.488453154,3.015269063,0.196986617,0.209460164,0.700573012,1.018221494,8.30E-04,0.001898434,3.90E-24,1.54E-66,1.18E-130,1.73E-216,0,0,0,0,0,0,0,0,0,0,0,5.987209136,3.970606793,2.808356636,19.69883883,8.39625624,3.532799085,3.443204998,8.465807244,6.807794998,1.159579578,1.195853335,2.019656061,5.449324523,0.00759014,0.017367004,3.56E-23,1.41E-65,1.08E-129,1.58E-215,4.0E-323,0,0,0,0,0,0,0,0,0,0,2.717515881,3.653488169,1.286306116,7.191778161,1.744553825,0.895990778,1.845519273,2.164059466,3.619419804,0.289108789,0.346676789,1.028470977,1.662933127,0.001549111,0.003542938,7.27E-24,2.88E-66,2.20E-130,3.23E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,6.245934765,0.749972934,0.349169828,0.850356547,0.102105516,0.578638337,0.513131272,0.444431184,7.345077527,7.127041907,16.10772938,0.775534821,1.536200794,4.953260344,0.272259124,0.075275509,0.934437262,0.051361942,0.364521529,0.067935127,0.020655633,5.300794977,1.741923959,7.144233253,0.901655893,0.453112289,5.466256611,0.462403597,0.184057442,0.894243268,0.075646157,0.443548656,0.195809805,0.123491729,6.112717651,3.618830755,10.19677507,0.841364903,0.76285019,6.213893814,0.73818406,0.342388976,0.851864014,0.101197809,0.572730321,0.497225314,0.427337154,7.294466851,6.967312194,15.83231638,0.777796022,1.497292789,5.6951069,0.546972078,0.232546027,0.879604131,0.084479345,0.481324976,0.27374762,0.19712829,6.474625005,4.566635121,11.76565599,0.819406196,0.952200887,6.346256923,0.786870255,0.370398864,0.84576996,0.104866732,0.597334458,0.564500839,0.500115596,7.503526041,7.635783003,16.98896274,0.768654941,1.661950893,6.225512171,0.737522064,0.342296406,0.852187598,0.100956699,0.574868009,0.496290285,0.427106111,7.305330641,6.97487418,15.85184254,0.778281397,1.498264405 +UMLMON0285,L,trans-2-hexene,CCC/C=C/C,639661,Sandia values from independent api report ,Sandia,,C6H12,PubChem,,80.8,0,0.6382,0.40729924,32.2248,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,996.821117,827.412436,643.778859,450.070322,264.404617,81.787104,9.144576,3399.790734,4147.41404,4921.543769,4495.738207,3634.760223,2721.213111,1798.067638,968.1733981,279.7536999,146.842108,144.889944,254.75666,299.766352,250.717548,207.98804,145.502308,103.171968,60.466176,25.74688067,32.32302034,42.44399096,41.20519999,33.74182834,26.0541382,17.70154074,10.682782,4.001516144,3476.407621,2904.481805,5666.926698,7114.858871,5973.943916,5049.741717,3538.991458,2582.994154,1664.258868,36.75,43.5,62.25,65.5,55,45,31.5,21,9,48.76541633,51.7541979,27.68947547,19.24214967,17.88274608,15.00234407,12.59069605,5.4524736,1.016064,161.8947969,207.370702,136.7095491,104.5520513,100.9655617,90.70710369,85.62226847,64.54489321,31.08374443,6.992481333,7.2444972,7.076573889,6.971310512,6.964376333,6.932934667,6.928681333,6.8781312,6.718464,1.226041937,1.616151017,1.178999749,0.958260465,0.93727301,0.868471273,0.842930512,0.712185467,0.444612905,165.54322,145.2240902,157.4146305,165.4618342,165.9428866,168.3247239,168.5234028,172.1996103,184.917652,1.75,2.175,1.729166667,1.523255814,1.527777778,1.5,1.5,1.4,1,0.044255737,-0.002724614,-0.022405807,-0.002754175,0.003623632,-4.83E-04,-0.002641926,-3.61E-04,0.005618788,564.9747087,-53.80711511,-201.7766817,-26.90355756,-40.35533633,-2.17E-13,-40.35533633,-40.35533633,121.066009,1050.594596,-100.0566282,-375.2123557,-50.0283141,-75.04247115,1.42E-13,-75.04247115,-75.04247115,225.1274134,0.110674667,-0.010540444,-0.039526667,-0.005270222,-0.007905333,-4.52E-16,-0.007905333,-0.007905333,0.023716,4.696646663,-0.447299682,-1.677373808,-0.223649841,-0.335474762,-2.58E-15,-0.335474762,-0.335474762,1.006424285,25.51225921,-2.429738973,-9.111521147,-1.214869486,-1.822304229,-4.22E-15,-1.822304229,-1.822304229,5.466912688,3.30952381,-0.366213152,-0.93537415,-0.419501134,0.017006803,0.022108844,-0.047619048,-0.542517007,0.617346939,0.002107416,-1.36E-04,-6.22E-04,-6.41E-05,1.01E-04,-1.61E-05,-1.26E-04,-2.41E-05,6.24E-04,26.90355756,-2.690355756,-5.604907824,-0.625664129,-1.120981565,-7.22E-15,-1.921682683,-2.690355756,13.45177878,50.0283141,-5.00283141,-10.42256544,-1.163449165,-2.084513087,4.74E-15,-3.573451007,-5.00283141,25.01415705,0.005270222,-5.27E-04,-0.001097963,-1.23E-04,-2.20E-04,-1.51E-17,-3.76E-04,-5.27E-04,0.002635111,0.223649841,-0.022364984,-0.046593717,-0.005201159,-0.009318743,-8.60E-17,-0.015974989,-0.022364984,0.111824921,1.214869486,-0.121486949,-0.25309781,-0.028252779,-0.050619562,-1.41E-16,-0.086776392,-0.121486949,0.607434743,0.157596372,-0.018310658,-0.025982615,-0.00975584,4.72E-04,7.37E-04,-0.002267574,-0.0361678,0.068594104,-0.064643464,-0.295330163,-0.030392941,0.047762965,-0.007632156,-0.059696803,-0.011427678,0.296244171,-0.1,-0.208333333,-0.023255814,-0.041666667,-2.69E-16,-0.071428571,-0.1,0.5,-0.1,-0.208333333,-0.023255814,-0.041666667,9.47E-17,-0.071428571,-0.1,0.5,-0.1,-0.208333333,-0.023255814,-0.041666667,-2.86E-15,-0.071428571,-0.1,0.5,-0.1,-0.208333333,-0.023255814,-0.041666667,-3.85E-16,-0.071428571,-0.1,0.5,-0.1,-0.208333333,-0.023255814,-0.041666667,-1.16E-16,-0.071428571,-0.1,0.5,-0.11618705,-0.164868106,-0.061903965,0.002997602,0.004676259,-0.014388489,-0.229496403,0.435251799,1.373421493,1.382359431,0.99691271,0.864383522,0.945994284,0.976337212,0.657527898,0.003972094,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.510791367,1.154076739,0.931069098,0.881294964,0.931654676,0.971223022,1.208633094,0,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,35.10544132,17.48129209,28.8982439,35.0034005,5.000485786,17.48129216,-0.142857143,0.183534832,0.026219262,-1.186745565,21.80287736,3.114696766,2.157429365,0,11.89,12.11009426,-0.181125901,0.043377598,5.108787686,7.182011159,6,20,19,19,5,1,1,0,0,1,15.304898,3.502283833,3.174689649,2.647819903,2.141038364,1.662474916,1.228701565,0.765585611,0.083923071,1.88576869,1.676171393,1.375066214,1.023999473,0.748879162,0.560297645,0.26494977,0.083923071,3.526963431,3.208895978,2.700440482,2.208289868,1.74963351,1.34416454,0.900259949,0.270913902,1.827582872,1.604059501,1.277307308,0.910722223,0.616382834,0.407774127,0.098421578,0.270913902,3.637664543,3.359069382,2.92737616,2.492296558,2.109936044,1.802986042,1.426157545,0.943918427,1.660172369,1.388928624,0.971477704,0.54629082,0.176901559,0.114680916,0.481032874,0.943918427,3.545264645,3.234096227,2.739031931,2.257297879,1.812739275,1.426624494,0.995885952,0.399277246,1.790839239,1.557850432,1.213420877,0.835927735,0.527882588,0.304750691,0.014671876,0.399277246,3.692798026,3.431805311,3.034124997,2.622330165,2.270371888,1.998904681,1.646285725,1.207644823,1.609287721,1.321097279,0.87075811,0.422403721,0.022514211,0.305789472,0.697164539,1.207644823,3.57945078,3.267745145,2.795034571,2.350257742,1.87579871,1.495487606,1.142447682,0.56,1.792098626,1.470765026,1.133083257,0.730219577,0.424809806,0.204442835,0.169196891,0.56,0,0,0,2,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,5.276020882,3.026038674,1.711264119,0.960046463,0.488641942,0.23570226,0.11785113,0,0.753717269,0.504339779,0.342252824,0.240011616,0.162880647,0.11785113,0.11785113,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,4,2,0,2,0,0,0,0,0,0,0,0,2,0,3,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.318611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.633472222,0,0,0.97625,0.580555556,0,0.633472222,0,0,0,0,0,0,0,0,4.276944444,0,3.904444444,0,4.318611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.106805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.216944444,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.065138889,0,1.256944444,0,2.106805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.211805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327152778,0,0,0.290277778,0.290277778,0,0.327152778,0,0,0,0,0,0,0,0,2.211805556,0,1.337638889,0,2.211805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.5,1.785714286,0.327152778,2.211805556,0.216944444,1.256944444,4.938793333,0.243055556,0.211805556,1.191111111,0.243055556,0.211805556,1.191111111,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.28571,0,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.52313,0.78902,6.60412,1.08099,0.15443,2.81066,0.40152,3.41421,0.60355,0.08622,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.058053137,3.368042423,3.653756708,3.653756708,3.290069569,19.28421252,43.21911587,70.72889087,76.72889087,76.72889087,69.09146095,0.209068641,0.468557469,0.766803056,0.831851698,0.831851698,0.749050957,3.474021589,2.334264286,1.024275,0.738560714,0.738560714,1.102247854,0.209068641,0.468557469,0.766803056,0.831851698,0.831851698,0.749050957,6.73287657,16.07411706,19.48810467,19.77605468,19.77605468,17.11042065,27.64912502,17.70101564,14.3059685,13.54772211,13.54772211,12.70318223,7,6,6,7,2,7,2.23,1.0519,0.166666667,3.838519496,0,0,5.676240019,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.207,5,4,3,2,1,0,0,0,0,28,2.079441542,2.079441542,1.945910149,1.791759469,1.609437912,1.098612289,0,0,0,0,3.663561646,1.357142857,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,0,126.9918924,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,98.10955045,4.671883355,12.83378878,1.833398397,0,0,0,56,4,3.912,22,1.211236555,2.106146174,2.894269068,3.675429034,4.994895307,6.023464854,7.337468311,8.219037532,0,0,73.49186037,66.47448687,67.92962066,84.09726931,88.48369883,88.75955058,42.29125961,8.351068151,0,0,276.4211428,311.8083112,334.3272846,434.2800493,495.6536773,565.7048895,490.8222375,255.4784621,0,0,8.809375226,14.96076331,20.23573863,25.78350404,34.74145193,41.90056746,50.55026797,55.21930777,0,0,2.094519856,2.630657003,2.957265242,3.863205896,4.609649551,5.422097492,5.363387285,3.654290152,0,0,173.7481089,327.4430955,474.8479226,595.8671039,832.4670305,1002.388072,1256.961811,1519.845122,0,0,2.730269027,3.772419654,4.560018482,6.042529477,7.78706437,9.463099175,10.47837957,8.219037532,0,0,0.434251815,0.556494339,0.632079826,0.825685462,0.993584188,1.173371933,1.183546145,0.841629443,0,0,369.7257927,159.5692303,10.62343689,120.6999243,-52.09264378,-7.866851465,249.0258684,211.6618741,18.49028835,0.753887449,0.325368807,0.021661664,0.246112551,-0.106219234,-0.016040862,181.323037,78.25685418,5.210006652,59.19434692,-25.54757218,-3.85810627,0.131808696,0.210923682,1.848666864,2.016512671,490.425717,0,1,0,394.9492309,19.87332964,7.336919558,535.2109823,23.13462734,8.119108381,576.4085702,24.00851037,8.322302096,2.372812479,2.372812479,677.5796152,654.576458,38.81628386,1.035142048,17.45606606,16.8634499,4.06680517,4.666948778,9.036208595,0.936213364,5.74282719,4.913808468,2.664705646,20.26978622,8.318026648,2.51146666,3.604883647,6.829892973,9.955181505,1.183042766,1.903909714,3.806975181,3.768804223,2.862114773,1.111516222,0.732841838,1.754398586,9.09E-10,9.09E-41,1.75E-93,6.52E-168,4.68E-264,0,0,0,0,0,0,0,0,0.481963593,4.90825411,0.219719348,5.114495423,0.066347009,0.082537669,0.78078309,0.206624456,3.242013256,0.034031491,0.058819403,0.372975931,0.151912583,1.069857338,0.048698126,0.043392381,0.012356373,6.41E-12,6.40E-43,1.23E-95,4.59E-170,3.30E-266,0,0,0,0,0,0,0,0,1.555818011,4.908625392,0.711857863,6.2064129,0.630439375,0.34976208,1.356996536,0.90854651,4.122883557,0.152854921,0.254292385,1.071057012,0.598705052,1.397775845,0.186580976,0.152009061,0.12876293,6.67E-11,6.67E-42,1.29E-94,4.79E-169,3.43E-265,0,0,0,0,0,0,0,0,5.42076089,4.913198694,2.512571852,18.63389024,7.416556908,2.281908244,3.431907319,6.194462757,9.371061872,1.071765245,1.726869991,3.59573241,3.444260415,2.738979414,1.018482104,0.679273136,1.563137555,8.10E-10,8.10E-41,1.56E-93,5.81E-168,4.17E-264,0,0,0,0,0,0,0,0,2.292985403,4.909106663,1.051754763,7.550296631,1.35029692,0.601070954,1.752621951,1.583400839,4.872895438,0.268781443,0.442265433,1.551120361,0.99196415,1.634140688,0.304708072,0.236106512,0.279690291,1.45E-10,1.45E-41,2.80E-94,1.04E-168,7.46E-265,0,0,0,0,0,0,0,0,6.935293734,4.916372457,3.230774354,27.13076704,12.10574111,3.453229883,4.245435817,9.443705617,12.31450592,1.641532952,2.632171392,4.590265443,5.087529212,3.333260905,1.487736566,0.944082305,2.558625457,1.33E-09,1.33E-40,2.56E-93,9.51E-168,6.82E-264,0,0,0,0,0,0,0,0,3.233741431,4.517189611,1.518854923,9.678598865,2.638147876,0.918880074,2.325413388,2.465313405,6.253601947,0.423423164,0.778250709,2.351581031,1.463668191,2.290567931,0.515282162,0.385766351,0.550179397,2.85E-10,2.85E-41,5.50E-94,2.05E-168,1.47E-264,0,0,0,0,0,0,0,0,7.927063666,0.816739314,0.373579739,0.869445093,0.089580457,0.561646898,0.557088365,0.476173195,9.11738272,9.740852179,21.27691885,0.804167639,1.594908458,6.610377534,0.316505469,0.080537901,0.943339586,0.045167184,0.390627334,0.08358215,0.022130892,7.007420904,2.650097258,9.826021221,0.915009379,0.496340376,7.13328782,0.515216823,0.196924607,0.909228494,0.065670954,0.45483634,0.221592659,0.132311713,7.84542925,5.181368662,13.75053324,0.863842741,0.808740711,7.89446296,0.8043582,0.366324849,0.870858887,0.08873086,0.557038326,0.540320824,0.457858281,9.06514601,9.53657037,20.92787039,0.80628833,1.55521743,7.36638595,0.603775159,0.248802953,0.896266962,0.073461224,0.485033843,0.304366284,0.211207519,8.218964062,6.430640467,15.75619071,0.844400443,1.000607646,8.029128713,0.855500334,0.396292864,0.865121891,0.092178379,0.576198113,0.611237547,0.53583468,9.280921911,10.38983738,22.39286418,0.797682836,1.723270339,7.916061296,0.804243237,0.36647009,0.87116294,0.088507008,0.560093867,0.540153902,0.458221418,9.086774624,9.562169554,20.98205357,0.80674441,1.558469186 +UMLMON0286,L,trans-2-heptene,CCCC/C=C/C,639662,"Sanda values from the independent api report and co-optima database from their api report, because values are not super different average sensitivities",Sandia,,C7H14,PubChem,,68.95,0,1.6606,2.75759236,30.6836,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,913.087565,804.128644,409.689673,100.076256,9.144576,0,0,2914.106344,3494.423905,4149.471199,4039.080402,3174.907034,1527.680798,279.7536999,0,0,125.864664,123.114164,211.6517,218.745616,230.913892,224.10432,60.466176,0,0,22.06875486,27.30703172,35.0937937,35.20091372,31.06407246,18.68581429,4.001516144,0,0,2979.777961,2471.442353,4779.986516,4927.642151,5376.46203,5911.511891,1664.258868,0,0,33.02777778,39.16666667,53.16666667,56,55.5,39,9,0,0,48.76541633,50.97680359,30.43625217,25.93963368,12.41483858,3.032613818,1.016064,0,0,161.8947969,205.5543474,138.3157066,130.2929162,96.20930407,46.29335751,31.08374443,0,0,6.992481333,7.242009647,7.055056667,7.056310194,6.997390667,6.79104,6.718464,0,0,1.226041937,1.606295984,1.169793123,1.135513346,0.941335529,0.566236797,0.444612905,0,0,165.54322,145.3789619,159.3328839,158.9561984,162.9230918,179.136724,184.917652,0,0,1.834876543,2.303921569,1.772222222,1.806451613,1.681818182,1.181818182,1,0,0,0.034021616,2.45E-04,-0.007674848,-0.013650479,-0.01479181,0.013167381,0.005693895,0,0,484.264036,-53.80711511,2.10E-13,-147.9695666,-363.198027,201.7766817,121.066009,0,0,900.5096538,-100.0566282,1.35E-13,-275.1557275,-675.3822403,375.2123557,225.1274134,0,0,0.094864,-0.010540444,5.61E-16,-0.028986222,-0.071148,0.039526667,0.023716,0,0,4.025697139,-0.447299682,1.11E-15,-1.230074126,-3.019272855,1.677373808,1.006424285,0,0,21.86765075,-2.429738973,2.40E-14,-6.681782175,-16.40073807,9.111521147,5.466912688,0,0,3.211419753,-0.886402606,0.112139918,-0.117198217,-2.452417695,0.996656379,0.741512346,0,0,0.00189009,1.44E-05,-2.56E-04,-4.40E-04,-4.48E-04,3.99E-04,6.33E-04,0,0,26.90355756,-3.165124418,6.99E-15,-4.773211824,-11.00600082,6.114444899,13.45177878,0,0,50.0283141,-5.885684011,4.50E-15,-8.875991211,-20.46612849,11.37007139,25.01415705,0,0,0.005270222,-6.20E-04,1.87E-17,-9.35E-04,-0.002156,0.001197778,0.002635111,0,0,0.223649841,-0.026311746,3.70E-17,-0.039679811,-0.091493117,0.050829509,0.111824921,0,0,1.214869486,-0.142925822,7.99E-16,-0.21554136,-0.496992063,0.276106701,0.607434743,0,0,0.178412209,-0.05214133,0.003737997,-0.003780588,-0.074315688,0.030201708,0.082390261,0,0,0.007626523,-0.135352432,-0.23297202,-0.237150982,0.211107196,0.334722178,0,0,-0.117647059,2.60E-16,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.117647059,9.00E-17,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.117647059,3.55E-15,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.117647059,1.65E-16,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.117647059,6.58E-16,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.292252028,0.020951466,-0.021190185,-0.416539251,0.169280503,0.461797213,0,0,1.296598248,1.313658388,1.422936665,1.11930576,0.317143651,0.003801213,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.712638155,0.894521864,1.017454388,1.503866148,0.481237167,0,0,0,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,21.39334399,10.65685718,16.22976098,21.34025757,3.556709594,10.65691428,-0.07962963,0.200050037,0.033341673,-0.965512657,16.1013119,2.683551983,1.667340452,0,11.89,12.11007471,-0.179299839,0.044676237,5.374547771,7.685503879,5,17,16,16,4,1,1,0,0,1,13.118484,3.540555378,2.865081898,2.54719039,1.886949926,1.505228104,0.344109736,0.083923071,0.083923071,1.875841698,1.524168067,1.355045439,0.886289331,0.628155545,0.083923071,0.083923071,0.083923071,3.560860944,2.912206141,2.607820635,1.965600326,1.598567031,0.471800875,0.270913902,0.270913902,1.822394366,1.434128227,1.249691962,0.761335285,0.494736601,0.270913902,0.270913902,0.270913902,3.654148109,3.115970063,2.865056506,2.292469171,1.977444195,0.958553255,0.943918427,0.943918427,1.673556754,1.155751879,0.914278472,0.35373006,0.046732001,0.943918427,0.943918427,0.943918427,3.576033742,2.946779797,2.652048431,2.022602679,1.665721835,0.561964105,0.399277246,0.399277246,1.789077632,1.375576207,1.180401024,0.678418554,0.405290945,0.399277246,0.399277246,0.399277246,3.701951025,3.212402365,2.98380042,2.439582945,2.142927699,1.207644823,1.207644823,1.207644823,1.629890309,1.06500317,0.801509977,0.212776649,0.113509522,1.153230243,1.207644823,1.207644823,3.573923729,2.996587406,2.741671856,2.090246595,1.72662782,0.63283836,0.537313433,0.537313433,1.782690817,1.303003175,1.077246187,0.600742919,0.311645504,0.537313433,0.537313433,0.537313433,0,0,0,1,1,3,1,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.204124145,0,0,0,0.577350269,0.288675135,0,0.40824829,0.204124145,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.78445705,2.426685576,1.488581196,1.050476816,0.204124145,0,0,0,0.797409508,0.485337115,0.297716239,0.262619204,0.204124145,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.51E-16,4.19E-17,-21.5515951,3000004.229,500000.7049,8.948474554,29,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,2,3,0,1,0,0,0,0,0,0,0,0,3,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.606481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.533680556,0.870833333,0,0.316319444,0,0,0,0,0,0,0,0,6.369212963,0,1.190972222,0,2.138888889,0,0,0,0,1.467592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.467592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.243402778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.068287037,0,1.190972222,0,2.138888889,0,0,0,0,1.467592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.138888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.290277778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.162037037,0,1.190972222,0,2.138888889,0,0,0,0,1.467592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.16666667,1.861111111,0.316319444,2.162037037,0.069444444,1.190972222,3.717506944,0.309027778,0.162037037,1.016203704,0.309027778,0.162037037,1.016203704,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.74073,0.79012,5.73058,0.98984,0.16497,2.19415,0.36569,2.80805,0.6139,0.10232,0.10595,0.01766,0.10595,0.01766,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.94471679,2.932999307,3.26633264,3.03467014,2.075522223,16.52932501,35.00490222,52.79398752,58.79398752,54.62406252,37.35940001,0.220218789,0.46636733,0.703369798,0.783307287,0.727751731,0.497736104,3.251629167,2.225208211,1.236925695,0.903592361,1.135254862,2.094402779,0.220218789,0.46636733,0.703369798,0.783307287,0.727751731,0.497736104,6.73287657,16.01742989,18.23479853,18.5707402,15.7907902,5.963359945,23.69925001,14.79422358,13.73834653,13.15338403,11.76340903,9.39649167,6,3.2,3,6,2,5,2.12,0.911,0.908560296,3.301927249,1.889881575,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,2.685,5,4,1,0,0,0,0,0,0,21,1.945910149,2.197224577,2.079441542,1.098612289,0,0,0,0,0,0,3.401197382,1.380952381,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.51E-16,4.19E-17,-21.5515951,3000004.229,500000.7049,8.948474554,0,109.6959078,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,84.09390038,4.671883355,10.6758508,1.779308466,0,0,0,31,4,2.836,20,1.207254321,2.087894256,2.994009532,3.754097887,4.353688906,5.137695122,0,0,0,0,72.08442802,74.58635221,86.38803114,50.22202244,14.0558684,5.220227056,0,0,0,0,272.7884669,320.6826348,415.6711438,375.0427178,207.9791155,159.6988021,0,0,0,0,8.776681837,14.80397255,21.18725697,26.31457258,29.59676834,34.51741972,0,0,0,0,2.072854631,2.638182254,3.557813812,3.629258247,2.516654348,2.284285552,0,0,0,0,173.4091213,327.3441287,471.5197554,608.1337552,777.4607779,950.0505188,0,0,0,0,2.883876925,3.895968137,5.580912693,6.415667547,5.222160729,5.137695122,0,0,0,0,0.429979205,0.556174329,0.75476867,0.784674599,0.565319467,0.52609998,0,0,0,0,326.1674797,114.8107255,9.286464683,111.7370586,-39.33136677,-6.306498586,214.430421,154.1420923,15.59296327,0.744836948,0.262182087,0.021206596,0.255163052,-0.089817217,-0.014401537,142.8302196,50.27613776,4.06658503,48.93016507,-17.22338401,-2.761644352,0.161583694,0.250377291,3.803334264,2.637799435,437.9045383,0,1,0,331.4395198,18.20548049,6.920456827,451.7060732,21.25337793,7.672766407,502.4179544,22.41468167,7.949778902,1.250100046,1.234957549,298.5421029,211.0300752,100.2282118,1.414689838,2.978623459,2.105495763,3.71644438,3.50827823,6.06588521,0.729020566,4.940296951,4.006402727,1.850676024,13.19569226,5.840693673,6.457091274,3.735833651,7.516726975,6.93556092,1.76048664,1.398235453,6.54E-09,1.27E-38,4.78E-90,3.46E-163,4.83E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.414608809,3.999596806,0.151119013,4.251168508,1.719326116,0.223985173,1.469204051,0.759381755,0.131384971,0.087609311,0.009847887,4.61E-11,8.96E-41,3.37E-92,2.44E-165,3.40E-260,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.338398243,4.0000517,0.490595064,5.057830637,2.315739923,0.932533857,1.835061347,1.803003601,0.721085086,0.322438947,0.102622571,4.80E-10,9.34E-40,3.51E-91,2.54E-164,3.55E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.663237566,4.005655535,1.743998418,12.28758903,5.501768392,5.876064963,3.562823994,6.984288886,6.236291705,1.620348486,1.245802616,5.83E-09,1.13E-38,4.26E-90,3.08E-163,4.31E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.972550729,4.000641396,0.725843752,5.914172526,2.797858905,1.586322673,2.114955842,2.619092484,1.363187999,0.515305841,0.222909938,1.04E-09,2.03E-39,7.62E-91,5.52E-164,7.70E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.966123148,4.009544544,2.248643557,16.96733985,7.1939298,8.834819348,4.415296813,9.622946649,9.84565018,2.322189962,2.039195001,9.54E-09,1.86E-38,6.97E-90,5.05E-163,7.05E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.741265634,3.718978381,0.955176491,7.017236501,3.698020698,2.435167215,2.518001372,3.56375558,2.312286453,0.790697248,0.40367858,1.89E-09,3.67E-39,1.38E-90,9.99E-164,1.40E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.433759978,1.820119652,0.350484778,0.612693916,0.324768255,0.592676114,0.580623605,0.44441633,5.604364409,8.091258857,15.88610197,0.419040874,1.61771605,2.4336782,1.116151009,0.075558992,0.671287615,0.307870757,0.296550797,0.215144304,0.020654943,3.625388201,2.984573896,6.815206945,0.506931423,0.532350044,2.829962528,1.396660197,0.184750591,0.641515085,0.316604399,0.401525008,0.339667958,0.123487602,4.411373316,4.733367067,9.874966358,0.462272628,0.864680568,3.408918319,1.802773824,0.343678391,0.613625734,0.324510096,0.584065551,0.569516852,0.427322872,5.555370534,7.936654684,15.60410376,0.4204386,1.580905275,3.007024522,1.52127293,0.233421781,0.631499754,0.319479763,0.453665152,0.404004342,0.197121702,4.761719232,5.631508258,11.46101659,0.44724963,1.054791196,3.51155431,1.87440308,0.371793762,0.609882959,0.325544302,0.620056174,0.616058939,0.500098881,5.757751151,8.584533571,16.78945662,0.414824439,1.736213994,3.410976075,1.804372728,0.343456947,0.613616706,0.32459719,0.584820895,0.570598117,0.426772371,5.558805749,7.94591998,15.61859065,0.42042506,1.582191383 +UMLMON0287,L,trans-3-methyl-2-pentene,CC/C(=C/C)/C,642661,Sandia values from independent api report ,Sandia,,C6H12,PubChem,,81,0,1.9266,3.71178756,34.6009,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1227.862111,1177.406502,667.997906,181.86336,18.289152,0,0,3399.790734,4147.41404,5288.145724,5689.27052,4786.472206,2495.854196,559.5073998,0,0,146.842108,144.889944,254.404924,283.650072,336.105416,327.276288,120.932352,0,0,25.74688067,32.32302034,43.78790813,48.57352389,46.09793578,29.36859629,8.003032287,0,0,3476.407621,2904.481805,5709.655628,6253.088698,7805.947576,8494.506045,3328.517736,0,0,38.55555556,45.55555556,63.66666667,76,82,60,18,0,0,48.76541633,51.7541979,34.10728086,29.43516255,13.91662304,3.78882,1.016064,0,0,161.8947969,207.370702,146.8929368,142.231763,99.71817095,51.99696242,31.08374443,0,0,6.992481333,7.2444972,7.066803444,7.0912518,7.002196167,6.818256,6.718464,0,0,1.226041937,1.616151017,1.216330781,1.214338097,0.960373662,0.611845756,0.444612905,0,0,165.54322,145.2240902,158.6015452,156.3272174,162.6239078,176.9688759,184.917652,0,0,1.835978836,2.277777778,1.768518519,1.9,1.708333333,1.25,1,0,0,0.037110145,-0.002774765,3.76E-04,-0.0144685,-0.026156235,0.012954923,0.011513843,0,0,564.9747087,-53.80711511,80.71067267,-228.6802392,-484.264036,161.4213453,242.132018,0,0,1050.594596,-100.0566282,150.0849423,-425.2406698,-900.5096538,300.1698846,450.2548269,0,0,0.110674667,-0.010540444,0.015810667,-0.044796889,-0.094864,0.031621333,0.047432,0,0,4.696646663,-0.447299682,0.670949523,-1.901023649,-4.025697139,1.341899046,2.01284857,0,0,25.51225921,-2.429738973,3.644608459,-10.32639063,-21.86765075,7.289216918,10.93382538,0,0,3.841269841,-1.526077098,1.034013605,-0.163265306,-3.224489796,0.489795918,1.469387755,0,0,0.00176715,-1.39E-04,1.04E-05,-3.62E-04,-5.45E-04,2.70E-04,6.40E-04,0,0,26.90355756,-2.690355756,2.24196313,-5.717005981,-10.08883408,3.362944694,13.45177878,0,0,50.0283141,-5.00283141,4.169026175,-10.63101675,-18.76061779,6.253539262,25.01415705,0,0,0.005270222,-5.27E-04,4.39E-04,-0.001119922,-0.001976333,6.59E-04,0.002635111,0,0,0.223649841,-0.022364984,0.018637487,-0.047525591,-0.08386869,0.02795623,0.111824921,0,0,1.214869486,-0.121486949,0.101239124,-0.258159766,-0.455576057,0.151858686,0.607434743,0,0,0.182917611,-0.076303855,0.0287226,-0.004081633,-0.067176871,0.010204082,0.081632653,0,0,-0.078509624,0.005905,-0.204686951,-0.308361843,0.152728559,0.361971564,0,0,-0.1,0.083333333,-0.2125,-0.375,0.125,0.5,0,0,-0.1,0.083333333,-0.2125,-0.375,0.125,0.5,0,0,-0.1,0.083333333,-0.2125,-0.375,0.125,0.5,0,0,-0.1,0.083333333,-0.2125,-0.375,0.125,0.5,0,0,-0.1,0.083333333,-0.2125,-0.375,0.125,0.5,0,0,-0.41714876,0.157024793,-0.02231405,-0.367252066,0.055785124,0.446280992,0,0,1.403678918,1.119851572,1.48976197,1.252160786,0.455274839,0.003576457,0,0,1.5,1.011904762,1.339285714,1.339285714,0.535714286,0,0,0,1.5,1.011904762,1.339285714,1.339285714,0.535714286,0,0,0,1.5,1.011904762,1.339285714,1.339285714,0.535714286,0,0,0,1.5,1.011904762,1.339285714,1.339285714,0.535714286,0,0,0,1.5,1.011904762,1.339285714,1.339285714,0.535714286,0,0,0,1.865702479,0.73117539,1.099173554,1.482438017,0.650826446,0,0,0,24.42244584,12.21122292,17.60768039,24.42244584,3.488920834,12.21123661,-5.33E-15,0.059818207,0.008545458,-1.971511645,20.89632952,2.985189932,2.127701466,24.42244584,12.21122292,17.60768039,24.42244584,3.488920834,12.21123661,-5.33E-15,0.059818207,0.008545458,-1.971511645,20.89632952,2.985189932,2.127701466,24.42244584,12.21122292,17.60768039,24.42244584,3.488920834,12.21123661,-5.33E-15,0.059818207,0.008545458,-1.971511645,20.89632952,2.985189932,2.127701466,24.42244584,12.21122292,17.60768039,24.42244584,3.488920834,12.21123661,-5.33E-15,0.059818207,0.008545458,-1.971511645,20.89632952,2.985189932,2.127701466,24.42244584,12.21122292,17.60768039,24.42244584,3.488920834,12.21123661,-5.33E-15,0.059818207,0.008545458,-1.971511645,20.89632952,2.985189932,2.127701466,24.42244584,12.21122292,17.60768039,24.42244584,3.488920834,12.21123661,-5.33E-15,0.059818207,0.008545458,-1.971511645,20.89632952,2.985189932,2.127701466,30.2409109,15.04545545,22.5305401,30.13376805,4.304824007,15.04545618,-0.15,0.167281769,0.023897396,-1.251652953,18.2665065,2.609500928,2.033548396,0,11.89,12.11009426,-0.153639344,0.068921171,5.616117035,8.314258932,6,20,19,19,5,1,1,0,0,1,15.304898,3.593181451,2.993114368,2.556846255,2.333552793,1.816996646,1.20692899,0.315375403,0.083923071,1.909216937,1.578239261,1.358666433,1.249629723,0.763821851,0.452883277,0.083923071,0.083923071,3.612157747,3.033256128,2.61678215,2.405454588,1.892620384,1.309358266,0.449217649,0.270913902,1.858375327,1.495433799,1.253791545,1.134540686,0.646758607,0.304463535,0.270913902,0.270913902,3.699546511,3.209866368,2.871584153,2.704236987,2.204803331,1.728440641,0.956864849,0.943918427,1.71778117,1.244931576,0.920423874,0.76031856,0.262911345,0.194534246,0.943918427,0.943918427,3.626346224,3.062871611,2.660534434,2.457539916,1.947313382,1.383296856,0.543509191,0.399277246,1.826779863,1.44203044,1.184853236,1.058262671,0.568986494,0.204835437,0.399277246,0.399277246,3.744496279,3.295191687,2.989445582,2.838982085,2.344137657,1.912521164,1.207644823,1.207644823,1.676784036,1.165221288,0.808568021,0.631337262,0.129021658,0.372529671,1.159497077,1.207644823,3.607241692,3.106837892,2.752290473,2.560542902,2.023895638,1.413755002,0.622799512,0.538461538,1.839855255,1.372000175,1.079930245,0.945158287,0.485098475,0.134551444,0.538461538,0.538461538,0,0,0,1,1,4,0,1,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.455341801,0,0.166666667,0,1.276142375,0.707106781,0.23570226,0.955341801,0.5,0.166666667,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,5.654700538,2.809401077,2.187392609,1.366025404,0.333333333,0,0,0,0.807814363,0.468233513,0.312484658,0.227670901,0.166666667,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,3,0,1,0,0,0,0,0,0,0,0,4,0,0,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.62962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.777083333,0.870833333,0,0.300694444,0,0,0,0,0,0,0,0,8.643518519,0,0,0,2.157407407,0,0.726851852,0,0,1.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.243402778,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.078703704,0,0,0,2.157407407,0,0.726851852,0,0,1.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.157407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.290277778,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.203703704,0,0,0,2.157407407,0,0.726851852,0,0,1.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13,1.857142857,0.300694444,2.203703704,0.041666667,0.726851852,4.439402778,0.606481481,0.203703704,1.601851852,0.606481481,0.203703704,1.601851852,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0.28571,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.46333,0.92333,7.55695,1.09362,0.15623,2.58371,0.3691,3.18073,0.59701,0.08529,0.23327,0.03332,0.23327,0.03332,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.911092835,2.819957899,3.105672184,2.896514212,2.269040294,19.28421252,40.13294954,59.21911587,65.21911587,60.82679845,47.64984618,0.209068641,0.435098981,0.642020516,0.707069159,0.659450111,0.516592968,3.474021589,2.481224587,1.572359524,1.286645239,1.495803211,2.123277129,0.209068641,0.435098981,0.642020516,0.707069159,0.659450111,0.516592968,6.73287657,15.92600679,17.88885756,18.17680757,15.6669119,8.13722489,27.64912502,17.29583807,16.76663476,16.07461626,14.81966843,11.05482492,7,3.06122449,2.666666667,7,2,5,2.23,1.0519,1.944161297,1.941967087,4.930998067,0,0,1.414213562,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.096,0.164,0.169,2.956,7,6,2,0,0,0,0,0,0,28,2.079441542,2.397895273,2.397895273,1.609437912,0,0,0,0,0,0,3.663561646,1.357142857,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,5,0.833333333,0,2,4,1,2,1.111111111,0.25,0,0,0,0,0,0,0,0.333333333,0.158730159,0.041666667,0,0,0,0,0,0,0,0.533730159,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,0,126.9918924,3.807354922,3.295836866,3.970291914,4.691347882,5.398162702,6.120297419,6.834108739,7.556427969,8.272059622,8.994296558,68.13282967,2.564949357,0,3.713572067,0,5.056245805,0,6.463029457,0,7.890956716,8.168486417,98.10955045,4.671883355,12.50524286,1.786463266,0,0,0,46,6,3.34,26,1.21392978,2.102946878,3.018046133,3.717845597,4.278004439,4.549546072,0,0,0,0,73.93298852,84.09308182,97.63248345,53.91948729,16.11311897,4.62262998,0,0,0,0,277.6846495,344.3025871,453.9960489,381.7288475,221.7231652,141.4169274,0,0,0,0,8.829851824,14.94161962,21.45621727,26.07721728,29.16509346,30.5659615,0,0,0,0,2.102697706,2.774125375,3.814708038,3.652133999,2.611720804,2.022786895,0,0,0,0,174.0791173,327.7368239,467.9071222,601.1534709,757.3473242,841.2913773,0,0,0,0,2.851264938,3.928696917,5.909515611,6.481325144,5.338897705,4.549546072,0,0,0,0,0.435895094,0.582745242,0.80636231,0.788329037,0.584046568,0.465873518,0,0,0,0,306.1249039,121.220101,8.92972266,71.70292533,-28.39310275,-4.282789009,234.4219786,149.6132038,13.21251167,0.810223282,0.320834231,0.02363437,0.189776718,-0.075148257,-0.011335293,115.6625079,45.80032764,3.373897729,27.09136063,-10.72770438,-1.618156875,0.143657642,0.221923887,4.43013381,3.712938109,377.8278293,0,1,0,389.4083328,19.73343186,7.302446999,529.815539,23.01772228,8.091733369,644.027565,25.37769818,8.635778317,1.552214313,1.526762986,353.9886318,239.133778,159.1408835,1.480295401,2.22437267,1.502654584,3.903908137,3.513343931,6.250256841,0.77900512,5.804133993,4.788733648,2.407107441,11.95770779,10.65220133,8.620789991,7.258709469,7.918510375,6.850529256,1.601408803,1.408394068,0.00195541,3.87E-25,1.48E-68,1.09E-133,1.54E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.487103938,4.77408223,0.13328955,5.348680081,1.427513038,0.603275457,0.770754089,0.947771941,0.181897355,0.028686558,0.009919482,1.38E-05,2.73E-27,1.04E-70,7.66E-136,1.09E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.572423127,4.775061389,0.475557993,5.907901574,2.678999556,1.989544221,1.60785962,1.970510754,0.84615895,0.162258107,0.103368278,1.44E-04,2.84E-26,1.08E-69,7.98E-135,1.13E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.478629223,4.787125094,2.224793691,11.27369501,9.864079698,8.041423827,6.689157609,7.350211366,6.195723152,1.438812649,1.254853791,0.001742235,3.45E-25,1.32E-68,9.69E-134,1.38E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.317460726,4.77633081,0.746699166,6.526304087,3.725602042,3.015486654,2.327173358,2.791397997,1.509092102,0.309609936,0.224529596,3.12E-04,6.17E-26,2.35E-69,1.73E-134,2.46E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.009331645,4.795497374,3.131083913,14.80755157,13.82390676,10.86645227,9.563209894,10.18339133,9.554928756,2.278725131,2.05401023,0.002851781,5.64E-25,2.15E-68,1.59E-133,2.25E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.293254707,4.178313065,1.035646883,7.39987021,4.688445801,3.91269531,3.409127413,4.062935949,2.490282516,0.529964227,0.408351122,5.67E-04,1.12E-25,4.28E-69,3.15E-134,4.48E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.080259607,2.142448321,0.580999059,0.530740028,0.369151704,0.480100922,0.466555839,0.389797718,5.803706987,9.633685414,19.27157776,0.349837597,1.336454479,2.218105173,1.401363224,0.226018824,0.576807319,0.3644176,0.251868062,0.199436394,0.058959366,3.845487221,3.926439007,8.474476589,0.411837378,0.510263822,2.555822262,1.700364168,0.36704212,0.552821959,0.367787175,0.330701113,0.293329424,0.155558794,4.623228551,5.908028286,12.12635898,0.3809137,0.779589331,3.058478409,2.124534733,0.57221384,0.531426201,0.36914873,0.473205166,0.458723824,0.378100871,5.755226983,9.463635466,18.93701849,0.350862396,1.310029862,2.708469662,1.831545893,0.429884318,0.544974694,0.368527725,0.370676001,0.34039684,0.213401341,4.969899872,6.912367975,14.01478917,0.370253628,0.924474182,3.148571383,2.198411035,0.608502518,0.5286843,0.369140558,0.50212744,0.491469343,0.427566808,5.955484936,10.17550634,20.34295691,0.346737287,1.42116359,3.063626836,2.126778543,0.572091826,0.531649166,0.369072377,0.474808347,0.459696067,0.378020658,5.762497205,9.485044309,18.97509495,0.351082316,1.312525072 +UMLMON0288,L,"cis-3,4-dimethyl-2-pentene",C/C=C(/C)\C(C)C,643784, (cis) reported; [9] has RON of 96.2,"Sandia, UML",[1],C7H14,PubChem,,82.2,0,1.3468,1.81387024,21.7836,12.374344,0,0,12,4,8,0,4,0,0,0,0,0,0,0,0,0,585.184996,529.649067,415.695506,248.233273,78.738912,9.144576,0,0,0,1942.737562,2188.443636,2180.902434,1558.996044,874.9221648,279.7536999,0,0,0,83.909776,79.562604,126.568136,111.51082,83.016576,60.466176,0,0,0,14.71250324,17.27505448,19.38092053,14.80954481,9.348943289,4.001516144,0,0,0,1986.518641,1605.36345,2894.320101,2646.198302,2028.241198,1664.258868,0,0,0,24,28,34,27,18,9,0,0,0,48.76541633,48.14991518,23.09419478,15.51457956,6.561576,1.016064,0,0,0,161.8947969,198.9494215,121.1612463,97.43725273,72.9101804,31.08374443,0,0,0,6.992481333,7.232964,7.031563111,6.96942625,6.918048,6.718464,0,0,0,1.226041937,1.570459498,1.076717807,0.925596551,0.779078607,0.444612905,0,0,0,165.54322,145.9421318,160.7955612,165.3873939,169.0200999,184.917652,0,0,0,2,2.545454545,1.888888889,1.6875,1.5,1,0,0,0,0.031893696,-0.001085686,-0.017541671,-0.005558304,0.001594823,0.00664399,0,0,0,322.8426907,-53.80711511,-80.71067267,-67.25889389,-80.71067267,121.066009,0,0,0,600.3397692,-100.0566282,-150.0849423,-125.0707852,-150.0849423,225.1274134,0,0,0,0.063242667,-0.010540444,-0.015810667,-0.013175556,-0.015810667,0.023716,0,0,0,2.683798093,-0.447299682,-0.670949523,-0.559124603,-0.670949523,1.006424285,0,0,0,14.57843384,-2.429738973,-3.644608459,-3.037173716,-3.644608459,5.466912688,0,0,0,2.666666667,-0.444444444,-0.666666667,-0.555555556,-0.666666667,1,0,0,0,0.002657808,-9.87E-05,-9.75E-04,-3.47E-04,1.33E-04,7.38E-04,0,0,0,26.90355756,-4.891555919,-4.483926259,-4.203680868,-6.725889389,13.45177878,0,0,0,50.0283141,-9.096057109,-8.33805235,-7.816924078,-12.50707852,25.01415705,0,0,0,0.005270222,-9.58E-04,-8.78E-04,-8.23E-04,-0.001317556,0.002635111,0,0,0,0.223649841,-0.040663607,-0.037274974,-0.034945288,-0.05591246,0.111824921,0,0,0,1.214869486,-0.220885361,-0.202478248,-0.189823357,-0.303717372,0.607434743,0,0,0,0.222222222,-0.04040404,-0.037037037,-0.034722222,-0.055555556,0.111111111,0,0,0,-0.03713539,-0.36666956,-0.130706962,0.05000434,0.27775563,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,1.262950796,1.46874977,1.194221328,0.546875344,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,0,11.89,12.11003668,-0.181285491,0.043200545,4.966579476,5.802081888,3,11,10,10,2,1,1,0,0,1,8.745656,3.390710197,2.584509236,1.837979866,0.786375036,0.083923071,0.083923071,0.083923071,0.083923071,1.789553149,1.376366662,0.827698544,0.270263698,0.083923071,0.083923071,0.083923071,0.083923071,3.416060273,2.64365993,1.91709112,0.918327447,0.270913902,0.270913902,0.270913902,0.270913902,1.728563216,1.272632769,0.70580992,0.104477258,0.270913902,0.270913902,0.270913902,0.270913902,3.530445574,2.895090214,2.24378896,1.436958256,0.943918427,0.943918427,0.943918427,0.943918427,1.553819833,0.94329689,0.304605346,0.471112772,0.943918427,0.943918427,0.943918427,0.943918427,3.434896943,2.686833051,1.974314718,1.01227312,0.399277246,0.399277246,0.399277246,0.399277246,1.690101937,1.204479793,0.624663305,0.008036186,0.399277246,0.399277246,0.399277246,0.399277246,3.58776046,3.011439194,2.389604742,1.655137903,1.207644823,1.207644823,1.207644823,1.207644823,1.501028367,0.832901232,0.164472647,0.685039239,1.207644823,1.207644823,1.207644823,1.207644823,3.45057003,2.722232483,2.020893764,1.08777252,0.5,0.5,0.5,0.5,1.661745534,1.152761705,0.562473031,0.095511473,0.5,0.5,0.5,0.5,0,0,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,3.154700538,1.488033872,0.666666667,0.333333333,0,0,0,0,0.788675135,0.496011291,0.333333333,0.333333333,0,0,0,0,6.167311215,11.55134741,10.90196078,11.04,7.194217964,92.11302036,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.50859,20.218,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,2,0,2,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.719444444,0,0,0,0.580555556,0,0.719444444,0,0,0,0,0,0,0,0,4,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0,0,0.290277778,0,0.359722222,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0,0,0.290277778,0,0.359722222,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,2,0.359722222,2,0.290277778,2,2.848,0,0,0,0,0,0,2,0.5,0,0,0.43333,0.7,0.41429,0.41429,0.7,0.01905,0.01905,0,0,0.71429,0,0,0.5,0,0,2.5,0.625,1.5,0.375,1,0.25,-0.5,-0.125,0,0,2.08333,0.52083,2.95465,0.87132,0.21783,1.25,0.3125,1.91421,0.66421,0.16605,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3,0,0,0,0,0,0,0.5,0.918295834,1.79248125,1.79248125,1.79248125,1.361654167,0.5,11.01955001,21.509775,21.509775,21.509775,16.33985,6,0.256152145,0.5,0.5,0.5,0.379823824,0.139471473,2.666666667,1.79248125,1.79248125,1.79248125,2.223308334,3.084962501,0.256152145,0.5,0.5,0.5,0.379823824,0.139471473,6.73287657,11.27796084,11.27796084,11.27796084,6.108035837,0.503912516,15.79950001,14.20150417,14.20150417,14.20150417,9.031579168,3,4,3,4,4,2,4,1.9,0.6292,0.333333333,2.828427125,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,1.71,2,1,0,0,0,0,0,0,0,10,1.609437912,1.609437912,1.098612289,0,0,0,0,0,0,0,2.708050201,1.4,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.666666667,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,0,75.1039385,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,56.06260026,4.671883355,6.871320344,1.717830086,0,0,0,10,1,2.31,10,1.188381171,2.062245338,2.938422719,3.670697796,3.646026781,0,0,0,0,0,66.44930993,55.19843878,47.31087227,22.34560089,3.704596555,0,0,0,0,0,257.9906488,273.1414937,296.3819246,254.5077621,113.3321646,0,0,0,0,0,8.625049279,14.56021285,20.52271109,25.331442,24.49569967,0,0,0,0,0,1.98329879,2.367551495,2.796948692,2.754820058,1.621070558,0,0,0,0,0,171.5963178,327.2299034,482.5371665,625.4097292,674.2147115,0,0,0,0,0,3.164635273,4.09043411,5.071786231,5.349166529,3.646026781,0,0,0,0,0,0.412255991,0.503417293,0.603332873,0.606836752,0.373353142,0,0,0,0,0,258.8943309,71.51781396,8.635737499,125.8575031,-34.76728696,-8.35341346,133.0368278,106.2851009,16.98915096,0.672886541,0.185880372,0.022444955,0.327113459,-0.090362888,-0.021711173,99.61006863,27.51661009,3.322615841,48.42390516,-13.37677742,-3.213991149,0.204931531,0.330482582,5.780219156,14.73760232,384.751834,0,1,0,208.6364847,14.44425438,5.93102952,289.0903564,17.00265733,6.612177978,270.4703091,16.44598155,6.467054672,1.312323395,1.301099595,117.7638262,91.24272082,32.93474833,1.290665437,3.575671051,2.770408929,2.815749575,3.213892777,4.79679996,0.492520222,3.410671468,2.085788716,1.608183373,5.264637423,4.643380967,4.168865527,2.138523067,0.00147281,0.032145606,6.66E-22,2.66E-63,2.05E-126,3.04E-211,8.715264E-318,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.286240655,2.081795326,0.132204854,2.051667988,1.18464682,0.198502683,0.056290728,1.04E-05,2.26E-04,4.69E-24,1.87E-65,1.44E-128,2.14E-213,6.1383E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.924003595,2.082062234,0.428591258,2.339914423,1.682438363,0.740527141,0.262880602,1.08E-04,0.002359306,4.88E-23,1.95E-64,1.50E-127,2.23E-212,6.3965E-319,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.219396053,2.085350299,1.5160943,4.937900881,4.357981998,3.830847752,1.933774118,0.001312248,0.028641156,5.93E-22,2.37E-63,1.82E-126,2.71E-211,7.765146E-318,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.361807859,2.082408239,0.633503851,2.646931385,2.085978461,1.192306794,0.469556879,2.35E-04,0.005124727,1.06E-22,4.24E-64,3.26E-127,4.85E-212,1.389406E-318,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.118878238,2.087632187,1.951112872,6.622047399,5.783717721,5.528207483,2.984357563,0.00214795,0.046881346,9.71E-22,3.88E-63,2.99E-126,4.44E-211,1.271039E-317,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.705339355,2.082772525,0.795120455,2.950052368,2.437863318,1.592232794,0.668699905,3.68E-04,0.008036402,1.66E-22,6.64E-64,5.12E-127,7.60E-212,2.178815E-318,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.350917566,1.021612637,0.265160236,0.646266527,0.280841005,0.623551537,0.476133436,0.333330053,3.63769044,3.295987999,7.570520962,0.46939979,1.433015026,1.570189906,0.556880221,0.057164366,0.718874238,0.254954412,0.278150001,0.141473247,0.015492035,2.184234492,0.996000316,3.230219769,0.578311357,0.435115283,1.880269466,0.741456977,0.139773574,0.680887001,0.268497908,0.398864546,0.250798688,0.092620649,2.761500017,1.760586989,4.716950785,0.521330502,0.742283882,2.331588938,1.010107183,0.260010844,0.647356645,0.28045235,0.613339715,0.465469244,0.320509274,3.601706965,3.224031964,7.438104699,0.471034968,1.399318233,2.018484747,0.823730375,0.176595898,0.668635676,0.27286583,0.45966369,0.309545471,0.147849174,3.018811021,2.164610732,5.477045492,0.502953514,0.917058336,2.411430343,1.05763314,0.281281606,0.642988921,0.282009552,0.656067209,0.510301167,0.375094197,3.75034509,3.526192396,7.993920527,0.464483382,1.541462573,2.329280635,1.008733155,0.259395883,0.647488289,0.280405416,0.612125813,0.464203757,0.31899497,3.597409673,3.215489638,7.422381741,0.471232434,1.39532454 +UMLMON0289,L,cis-2-butene,C/C=C\C,5287573,Sandia values from independent api report ,Sandia,,C4H8,PubChem,,83.5,0,2.4635,6.06883225,35.1779,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1360.019144,1004.86882,654.025179,227.07216,27.433728,0,0,3399.790734,4147.41404,5596.926009,5834.184158,4203.865984,2345.012795,839.2610996,0,0,146.842108,144.889944,254.827808,306.15304,391.406124,188.583552,181.398528,0,0,25.74688067,32.32302034,45.46326382,51.90810247,42.40976794,24.04531372,12.00454843,0,0,3476.407621,2904.481805,5683.327436,6606.137202,9889.009713,4420.464727,4992.776605,0,0,39.5625,46,67,87.75,78.75,45,27,0,0,48.76541633,51.7541979,37.77830956,23.36904233,11.47412595,8.41008,1.016064,0,0,161.8947969,207.370702,155.4701669,135.6787013,73.7520348,86.85232572,31.08374443,0,0,6.992481333,7.2444972,7.078550222,7.11983814,6.866774105,6.984576,6.718464,0,0,1.226041937,1.616151017,1.262868439,1.207165174,0.744031016,0.890567175,0.444612905,0,0,165.54322,145.2240902,157.8702066,153.6310977,173.4913985,163.7209158,184.917652,0,0,1.883928571,2.3,1.861111111,2.040697674,1.381578947,1.666666667,1,0,0,0.041051557,-0.009102279,0.011367506,-0.038095306,0.009590678,-0.011735868,0.01744949,0,0,564.9747087,-53.80711511,161.4213453,-672.5889389,282.4873543,-363.198027,363.198027,0,0,1050.594596,-100.0566282,300.1698846,-1250.707852,525.297298,-675.3822403,675.3822403,0,0,0.110674667,-0.010540444,0.031621333,-0.131755556,0.055337333,-0.071148,0.071148,0,0,4.696646663,-0.447299682,1.341899046,-5.591246027,2.348323331,-3.019272855,3.019272855,0,0,25.51225921,-2.429738973,7.289216918,-30.37173716,12.75612961,-16.40073807,16.40073807,0,0,4.202380952,-2.073696145,3.370323129,-5.292375283,2.468537415,-2.965561224,2.391581633,0,0,0.001954836,-4.55E-04,3.16E-04,-8.86E-04,1.68E-04,-4.35E-04,6.46E-04,0,0,26.90355756,-2.690355756,4.483926259,-15.64160323,4.955918497,-13.45177878,13.45177878,0,0,50.0283141,-5.00283141,8.33805235,-29.08622913,9.215742071,-25.01415705,25.01415705,0,0,0.005270222,-5.27E-04,8.78E-04,-0.003064083,9.71E-04,-0.002635111,0.002635111,0,0,0.223649841,-0.022364984,0.037274974,-0.130028977,0.041198655,-0.111824921,0.111824921,0,0,1.214869486,-0.121486949,0.202478248,-0.706319469,0.223791747,-0.607434743,0.607434743,0,0,0.200113379,-0.103684807,0.093620087,-0.123078495,0.043307674,-0.109835601,0.088577098,0,0,-0.232814374,0.161529687,-0.453202889,0.086072437,-0.222352035,0.330604407,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.518130312,0.467835222,-0.615043811,0.216415685,-0.548866856,0.442634561,0,0,1.533769477,0.845365359,1.797547014,0.751687544,1.062051929,0.002790512,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.933427762,0.475094429,1.916134133,0.508796779,1.586402266,0,0,0,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,31.45936729,15.63325508,22.79933797,31.32161219,4.474516027,15.63325547,-0.192857143,0.083883607,0.011983372,-1.734827555,19.95665862,2.850951232,2.095493997,0,11.89,12.11009426,-0.149692077,0.07345474,5.452932561,8.75882233,6,20,19,19,5,1,1,0,0,1,15.304898,3.592945775,3.03536851,2.333552793,2.333552793,2.132703992,0.97217995,0.397438056,0.083923071,1.916965117,1.584690093,1.249629723,1.249629723,0.986966235,0.306322557,0.083923071,0.083923071,3.612810954,3.071842816,2.405454588,2.405454588,2.198575277,1.078967397,0.517752522,0.270913902,1.865607486,1.504944066,1.134540686,1.134540686,0.878632756,0.14710905,0.270913902,0.270913902,3.703490857,3.234624645,2.704236987,2.704236987,2.475319574,1.525610297,0.962613738,0.943918427,1.722261812,1.267372631,0.76031856,0.76031856,0.527660496,0.391309536,0.943918427,0.943918427,3.627621204,3.098879345,2.457539916,2.457539916,2.246497805,1.156767953,0.601546029,0.399277246,1.833579553,1.453807582,1.058262671,1.058262671,0.806917596,0.039898625,0.399277246,0.399277246,3.749679443,3.314543351,2.838982085,2.838982085,2.601220393,1.724326993,1.207644823,1.207644823,1.679990051,1.193129366,0.631337262,0.631337262,0.407435467,0.583009083,1.138354913,1.207644823,3.604957952,3.143819826,2.544530374,2.544530374,2.330046894,1.233221222,0.572688397,0.528301887,1.854445472,1.381862399,0.959624714,0.959624714,0.71290703,0.06448061,0.528301887,0.528301887,0,0,0,2,0,4,0,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.366025404,0.288675135,0,0,0.75,1,0.25,0.5,0.666666667,0.166666667,5.914213562,3.060660172,3.310660172,1,0.75,0,0,0,0.844887652,0.510110029,0.413832521,0.25,0.25,0,0,0,5.654700538,2.699358737,2.866025404,0.666666667,0.5,0,0,0,0.807814363,0.449893123,0.358253175,0.166666667,0.166666667,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,1,0,2,0,0,0,0,0,0,0,0,4,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.270833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.589236111,0,0,0.730208333,0.290277778,0,0.589236111,0,0,0,0,0,0,0,0,8.609375,0,0,0,4.270833333,0,0,0,0,0,0,0,0.369791667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.276388889,0,0,0.243402778,0.290277778,0,0.276388889,0,0,0,0,0,0,0,0,2.046875,0,0,0,2.083333333,0,0,0,0,0,0,0,0.369791667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.1875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.312847222,0,0,0.243402778,0.290277778,0,0.312847222,0,0,0,0,0,0,0,0,2.1875,0,0,0,2.1875,0,0,0,0,0,0,0,0.369791667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.25,1.892857143,0.312847222,2.1875,0.090277778,0.369791667,5.005682292,0.880208333,0.1875,1.760416667,0.880208333,0.1875,1.760416667,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0,0.14286,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.54167,0.93452,7.77542,1.23376,0.17625,2.5,0.35714,3.06066,0.56066,0.08009,0.35334,0.05048,0.35334,0.05048,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.926868018,2.485693612,2.485693612,2.371773735,1.744299818,19.28421252,40.46422837,52.19956586,52.19956586,49.80724844,36.63029617,0.209068641,0.438690521,0.565918483,0.565918483,0.539982316,0.397125173,3.474021589,2.465449405,1.90662381,1.90662381,2.020543688,2.648017605,0.209068641,0.438690521,0.565918483,0.565918483,0.539982316,0.397125173,6.73287657,14.49989563,16.10996786,15.06309406,13.69605553,8.465469549,27.64912502,19.78804626,18.802954,19.94215278,17.32016641,14.60111277,7,2.34375,6,7,2,5,2.23,1.0519,2.121320344,3.746748298,0,3.039342743,1,0,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.158,0.135,0.148,0.155,2.795,8,4,3,0,0,0,0,0,0,28,2.079441542,2.397895273,2.197224577,1.945910149,0,0,0,0,0,0,3.663561646,1.357142857,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,5,0.833333333,0,2,4,1,3,0.666666667,0.375,0,0,0,0,0,0,0,0.5,0.083333333,0.09375,0,0,0,0,0,0,0,0.677083333,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,0,126.9918924,3.807354922,3.36729583,3.970291914,4.812184355,5.433722004,6.285998095,6.91274282,7.767687277,8.395929104,9.25157828,69.19742968,2.564949357,0,3.80666249,0,5.198497031,0,6.650279049,0,8.123557835,8.386628821,98.10955045,4.671883355,12.44898539,1.778426484,0,0,0,46,4,3.69,28,1.214785895,2.114046262,3.031255483,3.589275718,4.280641801,4.364847604,0,0,0,0,74.13042413,93.12798254,75.00734057,43.33474744,34.56213967,4.434964516,0,0,0,0,278.219961,366.4454892,423.149602,274.302199,360.9347142,135.6758074,0,0,0,0,8.836543933,15.04956522,21.60880854,24.6823514,29.8466997,29.32507149,0,0,0,0,2.106022522,2.899990847,3.731578625,2.739527269,3.725445035,1.940667572,0,0,0,0,174.1729397,327.6255021,463.7728889,619.9433028,704.9541186,807.1373704,0,0,0,0,2.867866779,4.196254918,6.266343296,5.058933485,7.004712513,4.364847604,0,0,0,0,0.436557066,0.607269826,0.793892406,0.598407429,0.81316985,0.446960395,0,0,0,0,314.6640146,128.8986112,9.480774306,70.57077387,-28.90853204,-4.436318516,244.0932407,157.8071433,13.91709282,0.816811005,0.334597537,0.024610379,0.183188995,-0.075041333,-0.011515882,121.2195251,49.65622923,3.652324084,27.18631714,-11.13657222,-1.709024225,0.140165217,0.221003243,2.651134148,3.32917164,385.2347885,0,1,0,387.265146,19.67905348,7.289025519,527.878432,22.97560515,8.081859684,653.9363722,25.57217965,8.67984223,1.412227074,1.333894833,298.1741824,286.3987584,129.1336979,1.041115486,2.309034646,2.217846798,3.775817963,3.47890568,6.39381026,0.837879738,5.892294123,4.606662914,3.432132211,12.48297788,9.405166364,14.01614212,4.270275863,1.091148129,3.169423877,0.754400071,1.594075424,0.323801022,1.10E-16,7.20E-54,9.09E-113,2.22E-193,1.04E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0.494503565,4.590431371,0.138028916,7.011342032,0.487064831,1.238627732,0.162738463,0.132950807,0.114116877,0.010040745,0.0112334,0.002280557,7.74E-19,5.07E-56,6.40E-115,1.56E-195,7.33E-298,0,0,0,0,0,0,0,0,0,0,0,0,0,1.596307695,4.591516111,0.544417495,7.452778243,1.52128765,3.78625346,0.566648642,0.280061364,0.468438741,0.067514415,0.117012037,0.023765163,8.07E-18,5.28E-55,6.67E-114,1.63E-194,7.64E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,5.561845253,4.604880873,3.136364703,11.90905949,8.581092102,13.21249573,3.865094542,1.015338085,2.887099633,0.675412007,1.42029677,0.288500881,9.80E-17,6.41E-54,8.10E-113,1.97E-193,9.27E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,2.352661689,4.592922428,0.902373834,7.956362872,2.464673944,5.553093452,0.972940015,0.395442255,0.79163967,0.13501718,0.254150532,0.05162111,1.75E-17,1.15E-54,1.45E-113,3.53E-194,1.66E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,7.115797552,4.614156127,4.634075176,14.87924773,12.77212053,17.01599936,5.945018372,1.391311013,4.322927373,1.084801993,2.324788981,0.472233359,1.60E-16,1.05E-53,1.33E-112,3.23E-193,1.52E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,3.28911509,3.670487655,1.324006461,9.216300441,3.69010751,7.57148447,1.522854244,0.551607004,1.217814809,0.227717611,0.444933542,0.090373799,3.07E-17,2.01E-54,2.54E-113,6.18E-194,2.91E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,3.148721348,1.23486433,1.090214624,0.575234969,0.225595429,0.483770052,0.475315314,0.385294609,5.473800302,8.667292888,18.38011331,0.362852454,1.344379975,2.325311941,0.734361145,0.598012067,0.635733215,0.200772104,0.269907843,0.178667707,0.115928127,3.657685152,3.537340165,8.216201928,0.453599822,0.564503676,2.649416788,0.936071406,0.793498946,0.605029589,0.213764365,0.346200554,0.284268409,0.204108755,4.378987141,5.325124403,11.67202329,0.407544383,0.834577718,3.128070243,1.222739089,1.078029076,0.576195128,0.225230334,0.477590963,0.466822814,0.376729713,5.428838407,8.515112721,18.06721157,0.364292693,1.32114349,2.795222617,1.024643013,0.880635495,0.594664812,0.21798591,0.383836799,0.336820771,0.251397698,4.700501125,6.228014584,13.45074852,0.391997218,0.972055268,3.213445501,1.272754163,1.128364323,0.572341059,0.226687979,0.503412317,0.502239275,0.412731502,5.614563988,9.151993788,19.38148452,0.358511589,1.418383094,3.130893187,1.223577384,1.078513559,0.576275047,0.225212766,0.478484907,0.467632116,0.377068405,5.43298413,8.527245649,18.09189669,0.364412571,1.323185429 +UMLMON0290,L,"cis-4,4-dimethyl-2-pentene",C/C=C\C(C)(C)C,5326157,Sandia values from independent api report ,Sandia,,C7H14,PubChem,,90.2,0,2.4635,6.06883225,35.1779,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1360.019144,1004.86882,654.025179,227.07216,27.433728,0,0,3399.790734,4147.41404,5596.926009,5834.184158,4203.865984,2345.012795,839.2610996,0,0,146.842108,144.889944,254.827808,306.15304,391.406124,188.583552,181.398528,0,0,25.74688067,32.32302034,45.46326382,51.90810247,42.40976794,24.04531372,12.00454843,0,0,3476.407621,2904.481805,5683.327436,6606.137202,9889.009713,4420.464727,4992.776605,0,0,39.5625,46,67,87.75,78.75,45,27,0,0,48.76541633,51.7541979,37.77830956,23.36904233,11.47412595,8.41008,1.016064,0,0,161.8947969,207.370702,155.4701669,135.6787013,73.7520348,86.85232572,31.08374443,0,0,6.992481333,7.2444972,7.078550222,7.11983814,6.866774105,6.984576,6.718464,0,0,1.226041937,1.616151017,1.262868439,1.207165174,0.744031016,0.890567175,0.444612905,0,0,165.54322,145.2240902,157.8702066,153.6310977,173.4913985,163.7209158,184.917652,0,0,1.883928571,2.3,1.861111111,2.040697674,1.381578947,1.666666667,1,0,0,0.041051557,-0.009102279,0.011367506,-0.038095306,0.009590678,-0.011735868,0.01744949,0,0,564.9747087,-53.80711511,161.4213453,-672.5889389,282.4873543,-363.198027,363.198027,0,0,1050.594596,-100.0566282,300.1698846,-1250.707852,525.297298,-675.3822403,675.3822403,0,0,0.110674667,-0.010540444,0.031621333,-0.131755556,0.055337333,-0.071148,0.071148,0,0,4.696646663,-0.447299682,1.341899046,-5.591246027,2.348323331,-3.019272855,3.019272855,0,0,25.51225921,-2.429738973,7.289216918,-30.37173716,12.75612961,-16.40073807,16.40073807,0,0,4.202380952,-2.073696145,3.370323129,-5.292375283,2.468537415,-2.965561224,2.391581633,0,0,0.001954836,-4.55E-04,3.16E-04,-8.86E-04,1.68E-04,-4.35E-04,6.46E-04,0,0,26.90355756,-2.690355756,4.483926259,-15.64160323,4.955918497,-13.45177878,13.45177878,0,0,50.0283141,-5.00283141,8.33805235,-29.08622913,9.215742071,-25.01415705,25.01415705,0,0,0.005270222,-5.27E-04,8.78E-04,-0.003064083,9.71E-04,-0.002635111,0.002635111,0,0,0.223649841,-0.022364984,0.037274974,-0.130028977,0.041198655,-0.111824921,0.111824921,0,0,1.214869486,-0.121486949,0.202478248,-0.706319469,0.223791747,-0.607434743,0.607434743,0,0,0.200113379,-0.103684807,0.093620087,-0.123078495,0.043307674,-0.109835601,0.088577098,0,0,-0.232814374,0.161529687,-0.453202889,0.086072437,-0.222352035,0.330604407,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.518130312,0.467835222,-0.615043811,0.216415685,-0.548866856,0.442634561,0,0,1.533769477,0.845365359,1.797547014,0.751687544,1.062051929,0.002790512,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.933427762,0.475094429,1.916134133,0.508796779,1.586402266,0,0,0,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,31.45936729,15.63325508,22.79933797,31.32161219,4.474516027,15.63325547,-0.192857143,0.083883607,0.011983372,-1.734827555,19.95665862,2.850951232,2.095493997,0,11.89,12.11009426,-0.149692077,0.07345474,5.452932561,8.75882233,6,20,19,19,5,1,1,0,0,1,15.304898,3.592945775,3.03536851,2.333552793,2.333552793,2.132703992,0.97217995,0.397438056,0.083923071,1.916965117,1.584690093,1.249629723,1.249629723,0.986966235,0.306322557,0.083923071,0.083923071,3.612810954,3.071842816,2.405454588,2.405454588,2.198575277,1.078967397,0.517752522,0.270913902,1.865607486,1.504944066,1.134540686,1.134540686,0.878632756,0.14710905,0.270913902,0.270913902,3.703490857,3.234624645,2.704236987,2.704236987,2.475319574,1.525610297,0.962613738,0.943918427,1.722261812,1.267372631,0.76031856,0.76031856,0.527660496,0.391309536,0.943918427,0.943918427,3.627621204,3.098879345,2.457539916,2.457539916,2.246497805,1.156767953,0.601546029,0.399277246,1.833579553,1.453807582,1.058262671,1.058262671,0.806917596,0.039898625,0.399277246,0.399277246,3.749679443,3.314543351,2.838982085,2.838982085,2.601220393,1.724326993,1.207644823,1.207644823,1.679990051,1.193129366,0.631337262,0.631337262,0.407435467,0.583009083,1.138354913,1.207644823,3.604957952,3.143819826,2.544530374,2.544530374,2.330046894,1.233221222,0.572688397,0.528301887,1.854445472,1.381862399,0.959624714,0.959624714,0.71290703,0.06448061,0.528301887,0.528301887,0,0,0,2,0,4,0,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.366025404,0.288675135,0,0,0.75,1,0.25,0.5,0.666666667,0.166666667,5.914213562,3.060660172,3.310660172,1,0.75,0,0,0,0.844887652,0.510110029,0.413832521,0.25,0.25,0,0,0,5.654700538,2.699358737,2.866025404,0.666666667,0.5,0,0,0,0.807814363,0.449893123,0.358253175,0.166666667,0.166666667,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,1,0,2,0,0,0,0,0,0,0,0,4,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.270833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.589236111,0,0,0.730208333,0.290277778,0,0.589236111,0,0,0,0,0,0,0,0,8.609375,0,0,0,4.270833333,0,0,0,0,0,0,0,0.369791667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.276388889,0,0,0.243402778,0.290277778,0,0.276388889,0,0,0,0,0,0,0,0,2.046875,0,0,0,2.083333333,0,0,0,0,0,0,0,0.369791667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.1875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.312847222,0,0,0.243402778,0.290277778,0,0.312847222,0,0,0,0,0,0,0,0,2.1875,0,0,0,2.1875,0,0,0,0,0,0,0,0.369791667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.25,1.892857143,0.312847222,2.1875,0.090277778,0.369791667,5.005682292,0.880208333,0.1875,1.760416667,0.880208333,0.1875,1.760416667,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0,0.14286,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.54167,0.93452,7.77542,1.23376,0.17625,2.5,0.35714,3.06066,0.56066,0.08009,0.35334,0.05048,0.35334,0.05048,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.926868018,2.485693612,2.485693612,2.371773735,1.744299818,19.28421252,40.46422837,52.19956586,52.19956586,49.80724844,36.63029617,0.209068641,0.438690521,0.565918483,0.565918483,0.539982316,0.397125173,3.474021589,2.465449405,1.90662381,1.90662381,2.020543688,2.648017605,0.209068641,0.438690521,0.565918483,0.565918483,0.539982316,0.397125173,6.73287657,14.49989563,16.10996786,15.06309406,13.69605553,8.465469549,27.64912502,19.78804626,18.802954,19.94215278,17.32016641,14.60111277,7,2.34375,6,7,2,5,2.23,1.0519,2.121320344,3.746748298,0,3.039342743,1,0,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.158,0.135,0.148,0.155,2.795,8,4,3,0,0,0,0,0,0,28,2.079441542,2.397895273,2.197224577,1.945910149,0,0,0,0,0,0,3.663561646,1.357142857,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,5,0.833333333,0,2,4,1,3,0.666666667,0.375,0,0,0,0,0,0,0,0.5,0.083333333,0.09375,0,0,0,0,0,0,0,0.677083333,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,0,126.9918924,3.807354922,3.36729583,3.970291914,4.812184355,5.433722004,6.285998095,6.91274282,7.767687277,8.395929104,9.25157828,69.19742968,2.564949357,0,3.80666249,0,5.198497031,0,6.650279049,0,8.123557835,8.386628821,98.10955045,4.671883355,12.44898539,1.778426484,0,0,0,46,4,3.69,28,1.214600289,2.112618127,3.019006393,3.577110215,4.608808277,5.411015634,0,0,0,0,73.9721314,92.65433068,76.33644889,49.75321193,41.95067336,5.497938189,0,0,0,0,277.8340701,365.0428092,424.2424965,290.7068917,424.3476668,168.1946271,0,0,0,0,8.834723531,15.03685317,21.52034513,24.63226517,32.30538854,36.35371374,0,0,0,0,2.10383765,2.891036388,3.727942102,2.831723101,4.296865092,2.405807379,0,0,0,0,174.1756064,327.5861523,462.0915752,615.5120283,745.4127541,1000.592306,0,0,0,0,2.865931813,4.186544248,6.237739998,5.135491306,7.968987571,5.411015634,0,0,0,0,0.436131726,0.6054831,0.792732355,0.616219111,0.934302638,0.554088001,0,0,0,0,314.0003531,128.6267497,8.761661816,61.82804877,-25.32717201,-3.711007422,252.1723044,153.9539217,12.47266924,0.835488621,0.342248614,0.023312932,0.164511379,-0.067390255,-0.009874207,118.0102509,48.34158578,3.292881358,23.23673676,-9.51867058,-1.394701989,0.140165217,0.221003243,2.071295451,2.620245738,375.8284019,0,1,0,389.4208045,19.73374786,7.302524957,529.668241,23.01452239,8.090983418,642.4431632,25.34646254,8.628690743,1.526948746,1.281513845,352.9987907,348.9710535,118.9207105,1.011541751,2.968354201,2.934485104,3.958836889,3.465857944,6.786442381,0.958084402,5.736367686,4.629286135,1.553774754,14.20077836,6.742467923,11.17659287,3.23156339,9.70219151,8.297172352,1.968988012,4.436347064,4.12E-04,0.010454888,7.71E-23,1.10E-64,3.01E-128,1.60E-213,1.6284E-320,0,0,0,0,0,0,0,0,0,0,0,0,0.481419781,4.6209898,0.125446759,7.96640967,1.10332086,0.783849085,0.686270555,2.082568487,1.265149018,0.144073274,0.113297279,2.90E-06,7.36E-05,5.43E-25,7.73E-67,2.12E-130,1.12E-215,1.14E-322,0,0,0,0,0,0,0,0,0,0,0,0,1.55406668,4.621544307,0.408219644,8.443367541,1.775559104,2.631573054,1.105052013,2.76023856,2.121198524,0.47903577,0.536409522,3.02E-05,7.67E-04,5.66E-24,8.06E-66,2.21E-129,1.17E-214,1.196E-321,0,0,0,0,0,0,0,0,0,0,0,0,5.414663541,4.628375315,1.463227709,13.53765442,6.227848518,10.44354591,3.040094334,8.925237523,7.661726904,1.843987097,4.00920284,3.67E-04,0.009315117,6.87E-23,9.78E-65,2.68E-128,1.42E-213,1.451E-320,0,0,0,0,0,0,0,0,0,0,0,0,2.290405149,4.622263137,0.604941123,9.007017153,2.379204685,3.981231944,1.422452185,3.486032479,2.880866634,0.720123873,0.96324276,6.56E-05,0.001666742,1.23E-23,1.75E-65,4.80E-129,2.54E-214,2.594E-321,0,0,0,0,0,0,0,0,0,0,0,0,6.927493336,4.633115977,1.892556143,16.97560492,8.840207091,14.00065707,3.98096281,12.93143609,10.88264618,2.446889647,6.202365297,6.01E-04,0.015247471,1.12E-22,1.60E-64,4.39E-128,2.33E-213,2.375E-320,0,0,0,0,0,0,0,0,0,0,0,0,3.202077297,3.677536056,0.797610814,10.31359803,3.274965715,5.678720866,1.674576662,4.668278701,3.991178149,1.022244617,1.536075459,1.15E-04,0.002917989,2.15E-23,3.06E-65,8.41E-129,4.45E-214,4.545E-321,0,0,0,0,0,0,0,0,0,0,0,0,3.924725386,1.223241567,1.068542317,0.631339103,0.196773062,0.480067241,0.52709345,0.380066955,6.216509269,10.30170776,21.64816819,0.447008654,1.387227646,2.974765023,0.626888808,0.58544964,0.710458923,0.149718967,0.275806044,0.138633751,0.114092145,4.187103471,3.973433838,9.252311254,0.565688385,0.52853194,3.352056955,0.863742255,0.777318371,0.671335473,0.172986564,0.350198626,0.263019616,0.201128921,4.993117582,6.172331409,13.41602916,0.50700321,0.814347162,3.901206905,1.208477691,1.056582303,0.632669161,0.19598206,0.474331299,0.514462862,0.371606519,6.166266899,10.11332383,21.26087073,0.449003741,1.360400681,3.520232168,0.969316916,0.862842161,0.657693357,0.181099787,0.386217229,0.331162254,0.247821725,5.352391246,7.285992825,15.58259186,0.486540036,0.965201208,3.998355509,1.269463279,1.105985926,0.627310639,0.199168838,0.49824786,0.567624867,0.407170083,6.373804714,10.90189894,22.88942885,0.440965959,1.47304281,3.90490582,1.208819119,1.057054151,0.632805965,0.195894084,0.475230903,0.514738784,0.371938497,6.17077909,10.12580899,21.28622701,0.449208948,1.361908185 +UMLMON0291,L,"4,4-Dimethyl-2-Pentene",C/C=C/C(C)(C)C,5326158,Sandia values from independent api report ,Sandia,,C7H14,PubChem,,90.9,0,1.4802,2.19099204,30.3189,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,924.178589,686.110827,453.118514,154.429632,18.289152,0,0,2914.106344,3494.423905,4233.124071,3907.204221,2814.464344,1656.593096,559.5073998,0,0,125.864664,123.114164,212.050868,238.877292,228.143432,145.87776,120.932352,0,0,22.06875486,27.30703172,35.7627251,35.52832815,27.38797691,17.36404786,8.003032287,0,0,2979.777961,2471.442353,4748.191412,5476.928195,5604.494673,3501.729441,3328.517736,0,0,33.77777778,39.33333333,55,61,49,33,18,0,0,48.76541633,50.97680359,30.80595297,20.17973021,13.73086406,7.353792,1.016064,0,0,161.8947969,205.5543474,141.1041357,114.9177712,85.28679831,78.88538554,31.08374443,0,0,6.992481333,7.242009647,7.068362267,7.025802706,6.913437333,6.94656,6.718464,0,0,1.226041937,1.606295984,1.192090837,1.044950828,0.829938694,0.826859422,0.444612905,0,0,165.54322,145.3789619,158.2730471,161.0861234,169.8331719,166.749021,184.917652,0,0,1.87654321,2.31372549,1.833333333,1.794117647,1.484848485,1.571428571,1,0,0,0.038739543,-0.005318411,-0.006860597,-0.014913254,0.001730692,-0.005514603,0.011506402,0,0,484.264036,-53.80711511,-40.35533633,-228.6802392,40.35533633,-201.7766817,242.132018,0,0,900.5096538,-100.0566282,-75.04247115,-425.2406698,75.04247115,-375.2123557,450.2548269,0,0,0.094864,-0.010540444,-0.007905333,-0.044796889,0.007905333,-0.039526667,0.047432,0,0,4.025697139,-0.447299682,-0.335474762,-1.901023649,0.335474762,-1.677373808,2.01284857,0,0,21.86765075,-2.429738973,-1.822304229,-10.32639063,1.822304229,-9.111521147,10.93382538,0,0,3.530864198,-1.235939643,0.843621399,-1.990397805,0.748971193,-1.711934156,1.580246914,0,0,0.002152197,-3.13E-04,-2.29E-04,-4.39E-04,5.24E-05,-2.63E-04,6.39E-04,0,0,26.90355756,-3.165124418,-1.345177878,-6.725889389,1.22288898,-9.608413413,13.45177878,0,0,50.0283141,-5.885684011,-2.501415705,-12.50707852,2.274014277,-17.86725503,25.01415705,0,0,0.005270222,-6.20E-04,-2.64E-04,-0.001317556,2.40E-04,-0.001882222,0.002635111,0,0,0.223649841,-0.026311746,-0.011182492,-0.05591246,0.010165902,-0.079874943,0.111824921,0,0,1.214869486,-0.142925822,-0.060743474,-0.303717372,0.05522134,-0.433881959,0.607434743,0,0,0.196159122,-0.072702332,0.028120713,-0.058541112,0.022696097,-0.081520674,0.087791495,0,0,-0.145362031,-0.106257271,-0.203803444,0.024368221,-0.122014924,0.297019547,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.370629371,0.143356643,-0.298436857,0.115702479,-0.415584416,0.447552448,0,0,1.427202771,1.144646009,1.403409204,0.873431703,0.847932943,0.002912317,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.762237762,0.82027972,1.384615385,0.68086459,1.375624376,0,0,0,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,23.34439958,11.60275535,17.78940131,23.25180699,3.875301165,11.60277715,-0.138888889,0.120260574,0.020043429,-1.270856665,14.94631712,2.491052853,1.622678954,0,11.89,12.11007471,-0.154954146,0.067228264,5.295743165,7.50302765,5,17,16,16,4,1,1,0,0,1,13.118484,3.517606619,2.973446727,2.333552793,2.144218941,1.212755647,0.714238454,0.083923071,0.083923071,1.876614671,1.562795977,1.249629723,1.006105503,0.454457131,0.242677753,0.083923071,0.083923071,3.540212065,3.013827555,2.405454588,2.210649939,1.314575117,0.85296352,0.270913902,0.270913902,1.821017008,1.479346258,1.134540686,0.896768592,0.306288247,0.074238581,0.270913902,0.270913902,3.642387894,3.191621124,2.704236987,2.48977734,1.731762504,1.391492478,0.943918427,0.943918427,1.66333078,1.226940148,0.76031856,0.542581238,0.191473927,0.513929033,0.943918427,0.943918427,3.557013739,3.043627675,2.457539916,2.258979998,1.388112991,0.95125216,0.399277246,0.399277246,1.786115895,1.425528926,1.058262671,0.824386046,0.206853942,0.040284473,0.399277246,0.399277246,3.693794691,3.277571518,2.838982085,2.616800193,1.915254049,1.615628258,1.207644823,1.207644823,1.616067843,1.146660394,0.631337262,0.421299785,0.368828517,0.734374911,1.207644823,1.207644823,3.556782529,3.083747819,2.546278942,2.343749412,1.420038507,1.048111874,0.529411765,0.529411765,1.788931672,1.355414829,0.958043648,0.730094412,0.145135207,0.155381273,0.529411765,0.529411765,0,0,0,2,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.333333333,0,0,0,0.288675135,0.288675135,0,0.19245009,0.19245009,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.732050808,2.398717474,1.769800359,0.577350269,0.384900179,0,0,0,0.788675135,0.479743495,0.353960072,0.19245009,0.19245009,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,2,0,2,0,0,0,0,0,0,0,0,3,0,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.240740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.632638889,0,0,0.777083333,0.580555556,0,0.632638889,0,0,0,0,0,0,0,0,6.375,0,0,0,4.240740741,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.074074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.243402778,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.041666667,0,0,0,2.074074074,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.328472222,0,0,0.290277778,0.290277778,0,0.328472222,0,0,0,0,0,0,0,0,2.166666667,0,0,0,2.166666667,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.33333333,1.888888889,0.328472222,2.166666667,0.243402778,0.717592593,4.246384259,0.615740741,0.166666667,1.231481481,0.615740741,0.166666667,1.231481481,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.61349,0.76891,5.69868,1.0852,0.18087,2.19337,0.36556,2.77005,0.57668,0.09611,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.99107606,2.821888196,2.821888196,2.521052779,2.006349306,16.52932501,35.83936908,50.79398752,50.79398752,45.37895002,36.11428751,0.220218789,0.477484861,0.676723969,0.676723969,0.604579885,0.481147576,3.251629167,2.178848942,1.348036806,1.348036806,1.648872223,2.163575695,0.220218789,0.477484861,0.676723969,0.676723969,0.604579885,0.481147576,6.73287657,14.84279915,16.90146519,15.68011242,14.051801,8.440120483,23.69925001,16.64860504,15.1849632,16.39047709,13.9585639,10.54227292,6,3.2,5.333333333,6,2,5,2.12,0.911,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,2.48,5,3,2,0,0,0,0,0,0,21,1.945910149,2.079441542,1.945910149,1.609437912,0,0,0,0,0,0,3.401197382,1.380952381,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,109.6959078,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,84.09390038,4.671883355,10.67917749,1.779862916,0,0,0,32,3,3.278,20,1.207932081,2.101446871,2.955450015,3.629681744,4.251686237,4.549115303,0,0,0,0,72.28833972,74.95526042,65.1016191,52.92378505,31.2153722,4.622192292,0,0,0,0,273.323491,326.2038243,357.223804,321.1604956,335.0139307,141.4035375,0,0,0,0,8.782132118,14.92305792,20.81230465,25.13108952,29.53277086,30.5630674,0,0,0,0,2.076090313,2.687783255,3.201727136,3.091677599,3.512492338,2.02259537,0,0,0,0,173.4739133,327.5914642,472.5192606,613.5771856,709.1097009,841.2117207,0,0,0,0,2.886616339,4.05800834,5.439643333,5.511807832,6.676655011,4.549115303,0,0,0,0,0.430619445,0.566603473,0.684411441,0.670438034,0.769048374,0.465829407,0,0,0,0,289.1351709,107.0400957,9.194250263,72.55203892,-26.85933076,-4.777368621,216.583132,133.8994265,13.97161888,0.799406678,0.295946588,0.025420446,0.200593322,-0.074261213,-0.013208564,104.5764932,38.71503355,3.325442724,26.24114452,-9.7146764,-1.727913127,0.154365035,0.245231668,3.025575495,4.511640078,361.6872098,0,1,0,329.4851108,18.15172473,6.906827316,450.0022467,21.21325639,7.663107077,503.5226356,22.43931005,7.955601109,1.376420326,1.256583933,277.6847614,227.3994414,81.91444974,1.221132118,3.389936236,2.776060171,3.594909626,3.477341659,6.261707312,0.800716733,5.046785215,3.905192366,2.835147095,12.13764548,8.897299881,7.177807687,5.401501275,1.903443369,3.588733218,1.068381546,1.423037237,0.003419228,2.13E-24,2.55E-67,5.90E-132,2.63E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.42354672,3.89474594,0.163622477,4.760763986,1.091251426,0.565213127,0.184859085,0.785639089,0.161677509,0.034728806,0.010022578,2.41E-05,1.50E-26,1.80E-69,4.16E-134,1.85E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.367248261,3.895444091,0.577159444,5.320445308,2.089817304,1.844170665,0.73849885,1.002978877,0.613835228,0.148305775,0.104442908,2.51E-04,1.56E-25,1.87E-68,4.33E-133,1.93E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.763753867,3.904045475,2.624979524,11.35134014,8.208993334,6.747937744,4.901300755,1.831181641,3.291417389,0.970640364,1.267900565,0.003046471,1.89E-24,2.27E-67,5.26E-132,2.35E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.015069784,3.896349189,0.900167272,5.98556491,2.95191437,2.743161058,1.270337527,1.155390854,0.997678801,0.255196916,0.226863927,5.45E-04,3.39E-25,4.07E-68,9.41E-133,4.20E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.094722902,3.910014865,3.666235101,15.42900462,11.68471197,8.797866861,7.458850514,2.175345326,4.78892541,1.469401824,2.075366038,0.004986623,3.10E-24,3.72E-67,8.61E-132,3.84E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.757430781,3.323472222,1.273028969,7.150659325,3.74679331,3.694171263,1.952347827,1.431448017,1.503110546,0.398618982,0.398844383,9.58E-04,5.96E-25,7.15E-68,1.65E-132,7.38E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.407902073,1.312894787,0.527392859,0.64934811,0.250161457,0.536303088,0.481910227,0.377162042,5.24818972,6.963931421,14.57179117,0.474022164,1.395375357,2.52216201,0.802638999,0.188310325,0.717928289,0.22846956,0.299900595,0.188336552,0.047295967,3.513111334,2.650479949,6.544803992,0.576892434,0.535533115,2.87131544,1.007651737,0.323260974,0.683284043,0.239789869,0.384461242,0.292121782,0.140561832,4.20222815,4.147204696,9.284719293,0.524926064,0.817144855,3.385735617,1.300476765,0.519021685,0.650448294,0.249840209,0.529498918,0.473405768,0.365189631,5.205234068,6.83531635,14.32583949,0.475672441,1.368094316,3.028156929,1.097958656,0.383280294,0.671521643,0.243482428,0.426079775,0.344016526,0.198160841,4.509395879,4.906249906,10.6899727,0.507282464,0.968257142,3.477362392,1.351714732,0.553595274,0.646028986,0.251123351,0.557923226,0.50891359,0.415893325,5.382672398,7.373756247,15.35854896,0.469043479,1.482730141,3.389026423,1.301559672,0.51859865,0.650586721,0.249858612,0.530559789,0.474304982,0.364679782,5.209184745,6.843551735,14.34028556,0.475880082,1.369544553 +UMLMON0292,L,cis-4-methyl-2-pentene,C/C=C\C(C)C,5326159,Sandia values from independent api report ,Sandia,,C6H12,PubChem,,84.5,0,0.9844,0.96904336,33.7614,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1106.796102,989.794349,713.373195,360.330937,93.979872,9.144576,0,3399.790734,4147.41404,5063.01831,4962.225875,4229.928687,2943.145141,1341.178331,279.7536999,0,146.842108,144.889944,254.381208,281.231348,273.267948,269.228836,183.793536,60.466176,0,25.74688067,32.32302034,42.78148384,43.55351118,39.08925549,30.38709287,16.01813686,4.001516144,0,3476.407621,2904.481805,5704.188715,6438.392411,6337.926246,6644.943464,4802.005979,1664.258868,0,37.27777778,44.16666667,63.33333333,68.91666667,63.5,55,33,9,0,48.76541633,51.7541979,30.74433617,24.74485872,18.29162038,9.239254795,3.480736,1.016064,0,161.8947969,207.370702,140.6393975,124.0556469,108.4597099,75.46526003,49.67327153,31.08374443,0,6.992481333,7.2444972,7.066144667,7.0307837,7.006870462,6.903303487,6.807168,6.718464,0,1.226041937,1.616151017,1.188374551,1.088837779,1.002288602,0.779156227,0.593264328,0.444612905,0,165.54322,145.2240902,158.4496865,160.9598103,162.5109294,170.3831657,177.8520733,184.917652,0,1.775132275,2.208333333,1.759259259,1.722916667,1.628205128,1.41025641,1.222222222,1,0,0.037832712,-0.001280327,-0.006869637,-0.014181709,-0.008703832,0.001567766,0.005676351,0.004875032,0,564.9747087,-53.80711511,-40.35533633,-107.6142302,-242.132018,-80.71067267,121.066009,121.066009,0,1050.594596,-100.0566282,-75.04247115,-200.1132564,-450.2548269,-150.0849423,225.1274134,225.1274134,0,0.110674667,-0.010540444,-0.007905333,-0.021080889,-0.047432,-0.015810667,0.023716,0.023716,0,4.696646663,-0.447299682,-0.335474762,-0.894599364,-2.01284857,-0.670949523,1.006424285,1.006424285,0,25.51225921,-2.429738973,-1.822304229,-4.859477945,-10.93382538,-3.644608459,5.466912688,5.466912688,0,3.415343915,-1.043713782,0.325018896,-0.551713278,-1.231670446,-0.207860922,0.346938776,0.655328798,0,0.001801558,-6.40E-05,-1.91E-04,-3.55E-04,-2.23E-04,4.02E-05,2.10E-04,5.42E-04,0,26.90355756,-2.690355756,-1.120981565,-2.690355756,-6.208513282,-2.069504427,4.483926259,13.45177878,0,50.0283141,-5.00283141,-2.084513087,-5.00283141,-11.54499556,-3.848331854,8.33805235,25.01415705,0,0.005270222,-5.27E-04,-2.20E-04,-5.27E-04,-0.001216205,-4.05E-04,8.78E-04,0.002635111,0,0.223649841,-0.022364984,-0.009318743,-0.022364984,-0.051611502,-0.017203834,0.037274974,0.111824921,0,1.214869486,-0.121486949,-0.050619562,-0.121486949,-0.280354497,-0.093451499,0.202478248,0.607434743,0,0.162635425,-0.052185689,0.009028303,-0.013792832,-0.031581293,-0.005329767,0.012849584,0.072814311,0,-0.035533874,-0.105921261,-0.19679787,-0.123879009,0.022313544,0.11669636,0.300667681,0,-0.1,-0.041666667,-0.1,-0.230769231,-0.076923077,0.166666667,0.5,0,-0.1,-0.041666667,-0.1,-0.230769231,-0.076923077,0.166666667,0.5,0,-0.1,-0.041666667,-0.1,-0.230769231,-0.076923077,0.166666667,0.5,0,-0.1,-0.041666667,-0.1,-0.230769231,-0.076923077,0.166666667,0.5,0,-0.1,-0.041666667,-0.1,-0.230769231,-0.076923077,0.166666667,0.5,0,-0.32087529,0.055512523,-0.084808288,-0.194184592,-0.032771257,0.079008521,0.44771495,0,1.363401009,1.25782492,1.402376769,1.13447618,0.652542851,0.43190628,1.72E-08,0,1.5,1.130952381,1.125,1.208791209,0.879120879,0.476190476,0,0,1.5,1.130952381,1.125,1.208791209,0.879120879,0.476190476,0,0,1.5,1.130952381,1.125,1.208791209,0.879120879,0.476190476,0,0,1.5,1.130952381,1.125,1.208791209,0.879120879,0.476190476,0,0,1.5,1.130952381,1.125,1.208791209,0.879120879,0.476190476,0,0,1.756777692,0.899173767,1.140685515,1.169933862,0.863373652,0.650658404,0,0,26.41970209,13.20985104,19.55389302,26.41970209,3.774243155,13.20985633,3.55E-15,0.036628586,0.005232655,-2.314848407,35.58156489,5.083080699,2.500279365,26.41970209,13.20985104,19.55389302,26.41970209,3.774243155,13.20985633,3.55E-15,0.036628586,0.005232655,-2.314848407,35.58156489,5.083080699,2.500279365,26.41970209,13.20985104,19.55389302,26.41970209,3.774243155,13.20985633,3.55E-15,0.036628586,0.005232655,-2.314848407,35.58156489,5.083080699,2.500279365,26.41970209,13.20985104,19.55389302,26.41970209,3.774243155,13.20985633,3.55E-15,0.036628586,0.005232655,-2.314848407,35.58156489,5.083080699,2.500279365,26.41970209,13.20985104,19.55389302,26.41970209,3.774243155,13.20985633,3.55E-15,0.036628586,0.005232655,-2.314848407,35.58156489,5.083080699,2.500279365,26.41970209,13.20985104,19.55389302,26.41970209,3.774243155,13.20985633,3.55E-15,0.036628586,0.005232655,-2.314848407,35.58156489,5.083080699,2.500279365,29.4983944,14.69046704,21.87336212,29.41449418,4.202070596,14.69046817,-0.117460317,0.020525102,0.002932157,-2.720274665,53.50867276,7.644096109,2.785890624,0,11.89,12.11009426,-0.159023426,0.062679567,5.292959687,7.999879809,6,20,19,19,5,1,1,0,0,1,15.304898,3.568329904,3.027197218,2.685970779,2.168776798,1.722586372,1.348478919,0.342940675,0.083923071,1.895402541,1.626737273,1.417132893,1.044949552,0.825380504,0.551139479,0.083923071,0.083923071,3.58815656,3.069401029,2.739164515,2.236075844,1.811693724,1.449480404,0.47120642,0.270913902,1.843215194,1.543462822,1.319046348,0.933089213,0.691378414,0.409503095,0.270913902,0.270913902,3.679148761,3.252846476,2.967780198,2.51893915,2.178402382,1.857297035,0.958552982,0.943918427,1.698069569,1.288884067,1.012101149,0.572516421,0.246345972,0.068460756,0.943918427,0.943918427,3.602965283,3.100409255,2.778124745,2.285033165,1.876096667,1.52201322,0.561630504,0.399277246,1.810706712,1.489555529,1.254953153,0.859194446,0.601843176,0.314356349,0.399277246,0.399277246,3.725749138,3.340345022,3.075021933,2.647884913,2.341105848,2.034463776,1.207644823,1.207644823,1.655497843,1.206791306,0.910839343,0.449502709,0.089621639,0.240307085,1.153244063,1.207644823,3.605872251,3.128734253,2.868193174,2.400524696,1.930696803,1.58783794,0.650923823,0.552631579,1.796708175,1.443594129,1.146958955,0.740815735,0.516954792,0.211961682,0.552631579,0.552631579,0,0,0,1,1,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.204124145,0,0,0,0.49279928,0.40824829,0.204124145,0.348461713,0.288675135,0.144337567,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.491563832,2.964690378,1.812278497,1.110263394,0.49279928,0.144337567,0,0,0.784509119,0.494115063,0.302046416,0.222052679,0.164266427,0.144337567,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,3,0,1,0,0,0,0,0,0,0,0,3,0,2,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.766203704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,1.067361111,0.870833333,0,0.288541667,0,0,0,0,0,0,0,0,6.518009259,0,2.382453704,0,2.263888889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.243402778,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.165833333,0,1.180231481,0,2.263888889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.290277778,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.182037037,0,1.202222222,0,2.263888889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.80952381,0.290277778,2.263888889,0.053819444,1.180231481,4.386185185,0.319768519,0.263888889,1.563796296,0.319768519,0.263888889,1.563796296,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.02186,0.86027,7.07892,1.05706,0.15101,2.75482,0.39355,3.30805,0.55324,0.07903,0.10595,0.01514,0.10595,0.01514,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.911092835,2.951143018,3.236857303,3.427333494,2.87783243,19.28421252,40.13294954,61.97400337,67.97400337,71.97400337,60.43448102,0.209068641,0.435098981,0.671887465,0.736936107,0.780301869,0.655196825,3.474021589,2.481224587,1.441174405,1.155460119,0.964983929,1.514484993,0.209068641,0.435098981,0.671887465,0.736936107,0.780301869,0.655196825,6.73287657,15.92600679,18.02106921,19.35589302,18.50098589,11.90697312,27.64912502,17.29583807,16.48502421,14.58757905,15.26259907,14.83973403,7,4.166666667,3.84,7,2,6,2.23,1.0519,0.766309432,4.112265279,1.650963624,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,3.184,6,5,3,1,0,0,0,0,0,28,2.079441542,2.302585093,2.302585093,1.945910149,1.098612289,0,0,0,0,0,3.713572067,1.428571429,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,0,126.9918924,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,98.10955045,4.671883355,12.66537523,1.809339318,0,0,0,50,5,3.3,24,1.212087155,2.098402288,2.95983428,3.721229941,4.386041304,5.716068101,7.151143818,0,0,0,73.60305,75.0571472,82.55127174,80.26228957,51.12761016,22.4092876,7.266019792,0,0,0,276.7544669,325.54485,394.0258577,436.5147791,376.8941285,302.8910726,222.2843268,0,0,0,8.815752322,14.89783941,20.87179367,26.14102672,30.44516306,39.00068508,48.0447023,0,0,0,2.096746037,2.680352157,3.387365045,3.92476946,3.745135371,3.542715391,3.179490826,0,0,0,173.8582554,327.4224029,471.9525075,600.0472023,734.3707243,1009.409971,1322.372724,0,0,0,2.77005594,3.874464801,5.257214819,6.216427967,6.570052529,7.212899825,7.151143818,0,0,0,0.434702162,0.564997965,0.719593432,0.839817791,0.814789761,0.791289419,0.732277127,0,0,0,355.191607,142.6059797,9.839110817,122.1151136,-49.02803184,-6.965652294,233.0764934,191.6340116,16.80476311,0.744157984,0.298772202,0.020613812,0.255842016,-0.102718084,-0.014593661,169.5353411,68.06679253,4.696273718,58.28636442,-23.4014091,-3.324752653,0.142332253,0.212437607,3.092004709,2.157923033,477.3067206,0,1,0,393.2871575,19.83146887,7.326613048,533.5156973,23.09795873,8.110526867,614.4362952,24.78782554,8.501435952,1.783221774,1.624699755,498.6033714,438.1775963,76.35039687,1.137902475,6.530462078,5.739034953,4.045451839,4.632443913,8.080482529,0.744323877,5.727809132,4.999408144,2.230907506,14.08437741,7.658817076,4.61549469,5.575427055,4.94618493,7.558535626,3.407955894,2.180200981,3.91197035,0.718572883,0.146884619,0.523224974,2.27E-08,1.90E-37,3.08E-88,9.60E-161,5.77E-255,0,0,0,0,0,0,0,0,0,0,0.480699415,4.990499708,0.182401043,5.249836181,1.157198401,0.318319696,0.771009085,0.911372623,1.929333453,0.024265363,0.145075274,0.347958128,0.01471485,0.001039138,0.003685116,1.60E-10,1.34E-39,2.17E-90,6.76E-163,4.06E-257,0,0,0,0,0,0,0,0,0,0,1.551746373,4.991095116,0.591991186,6.002850564,1.797766482,1.072665736,1.62689641,1.219968052,2.664403889,0.250799988,0.493223246,1.051567537,0.077541876,0.010792362,0.038401753,1.67E-09,1.40E-38,2.26E-89,7.04E-162,4.24E-256,0,0,0,0,0,0,0,0,0,0,5.406584835,4.998430121,2.102473393,13.17197042,7.017913674,4.308982501,5.237155052,4.516988164,7.067471122,3.036608332,2.031816066,3.685335604,0.646882773,0.13087473,0.466184032,2.03E-08,1.70E-37,2.74E-88,8.55E-161,5.14E-255,0,0,0,0,0,0,0,0,0,0,2.286986532,4.991866978,0.875701748,6.831628279,2.441347562,1.626962206,2.251490983,1.584722048,3.291922883,0.544124279,0.752188158,1.54166424,0.144675334,0.023431091,0.083413739,3.62E-09,3.04E-38,4.91E-89,1.53E-161,9.20E-256,0,0,0,0,0,0,0,0,0,0,6.917158119,5.003520568,2.709877032,17.88449134,10.30756473,5.799696732,6.878023869,6.742168671,9.543008044,4.969326053,2.756622077,4.760689413,1.01648273,0.214202353,0.763074452,3.32E-08,2.78E-37,4.49E-88,1.40E-160,8.42E-255,0,0,0,0,0,0,0,0,0,0,3.26142121,4.53900986,1.199305703,8.172040021,3.395051114,2.310160439,3.064417762,2.37388208,4.104407476,1.041751562,0.923446366,2.358030572,0.257802888,0.044877148,0.159793777,6.94E-09,5.82E-38,9.40E-89,2.93E-161,1.76E-255,0,0,0,0,0,0,0,0,0,0,5.705579296,1.30671845,0.376213774,0.772223104,0.176858146,0.55217653,0.529269616,0.476159496,7.388511519,10.09370873,20.28711429,0.658334655,1.557605642,4.384970001,0.699529421,0.081105758,0.848878272,0.135420613,0.326263562,0.151223593,0.022130256,5.16560518,3.479797704,8.894187944,0.773317409,0.49961741,4.909281151,0.940877191,0.198313083,0.811656501,0.155556194,0.408854531,0.274009442,0.132307906,6.048471425,5.779193596,12.74367923,0.717484751,0.815171879,5.672867192,1.291703698,0.368907731,0.773557473,0.176137924,0.545863681,0.51715565,0.457845109,7.333478621,9.896947575,19.93365792,0.66033621,1.52086444,5.143075774,1.048368263,0.250557212,0.798366156,0.162739531,0.44869632,0.340371474,0.211201443,6.442001249,6.943148369,14.73611337,0.697549234,1.000269237,5.80799692,1.353720865,0.399087044,0.768171782,0.179044546,0.572176949,0.568096727,0.535819264,7.560804829,10.72055539,21.41914484,0.652257673,1.676092941,5.679511616,1.292266282,0.368929452,0.773700864,0.176041112,0.547141638,0.517666453,0.457899027,7.34070735,9.91153556,19.95997899,0.660551295,1.522707118 +UMLMON0293,L,trans-3-methyl-3-hexene,CC/C=C(\C)/CC,5352447, (trans) reported; [9] has RON of 96.2,"Sandia, UML",[1],C7H14,UML,,81.4,0,0.804,0.646416,33.3967,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1117.887126,871.776532,635.736027,469.204178,160.526016,18.289152,0,3399.790734,4147.41404,5146.671182,4830.349694,3644.358584,2795.267621,1843.095563,559.5073998,0,146.842108,144.889944,254.780376,301.363024,270.473772,188.630984,186.188544,120.932352,0,25.74688067,32.32302034,43.45041525,43.88092561,34.40673565,26.05816229,20.03172529,8.003032287,0,3476.407621,2904.481805,5672.393611,6987.678454,6560.491976,4431.398552,4611.235353,3328.517736,0,38.02777778,44.33333333,65,74.83333333,57.83333333,42,39,18,0,48.76541633,51.7541979,31.05242017,20.27387284,16.30092377,17.37793252,5.945408,1.016064,0,161.8947969,207.370702,142.9630884,112.3337138,93.44509189,103.5284304,68.26279863,31.08374443,0,6.992481333,7.2444972,7.077232667,7.008442419,6.935224923,6.986332741,6.895872,6.718464,0,1.226041937,1.616151017,1.206955979,1.020486642,0.882223991,0.965117122,0.741915752,0.444612905,0,165.54322,145.2240902,157.5664892,162.5041501,168.217743,164.1258723,170.7864946,184.917652,0,1.810846561,2.216666667,1.805555556,1.740310078,1.482905983,1.555555556,1.444444444,1,0,0.042529671,-0.006851201,-0.005671563,-0.01434514,-0.003010856,0.004794514,-0.006035058,0.009854468,0,564.9747087,-53.80711511,-80.71067267,-188.3249029,40.35533633,-121.066009,-121.066009,242.132018,0,1050.594596,-100.0566282,-150.0849423,-350.1981987,75.04247115,-225.1274134,-225.1274134,450.2548269,0,0.110674667,-0.010540444,-0.015810667,-0.036891556,0.007905333,-0.023716,-0.023716,0.047432,0,4.696646663,-0.447299682,-0.670949523,-1.565548888,0.335474762,-1.006424285,-1.006424285,2.01284857,0,25.51225921,-2.429738973,-3.644608459,-8.504086404,1.822304229,-5.466912688,-5.466912688,10.93382538,0,3.740740741,-1.382716049,0.898148148,-1.478395062,-0.518518519,0.472222222,-1.25,1.388888889,0,0.002025222,-3.43E-04,-1.58E-04,-3.34E-04,-7.72E-05,1.78E-04,-2.24E-04,5.47E-04,0,26.90355756,-2.690355756,-2.24196313,-4.379648904,1.034752214,-4.483926259,-4.483926259,13.45177878,0,50.0283141,-5.00283141,-4.169026175,-8.144144155,1.924165927,-8.33805235,-8.33805235,25.01415705,0,0.005270222,-5.27E-04,-4.39E-04,-8.58E-04,2.03E-04,-8.78E-04,-8.78E-04,0.002635111,0,0.223649841,-0.022364984,-0.018637487,-0.036408114,0.008601917,-0.037274974,-0.037274974,0.111824921,0,1.214869486,-0.121486949,-0.101239124,-0.197769451,0.046725749,-0.202478248,-0.202478248,0.607434743,0,0.178130511,-0.069135802,0.02494856,-0.034381281,-0.013295347,0.017489712,-0.046296296,0.077160494,0,-0.169146881,-0.07779067,-0.16472655,-0.03811998,0.08768153,-0.110368448,0.270326078,0,-0.1,-0.083333333,-0.162790698,0.038461538,-0.166666667,-0.166666667,0.5,0,-0.1,-0.083333333,-0.162790698,0.038461538,-0.166666667,-0.166666667,0.5,0,-0.1,-0.083333333,-0.162790698,0.038461538,-0.166666667,-0.166666667,0.5,0,-0.1,-0.083333333,-0.162790698,0.038461538,-0.166666667,-0.166666667,0.5,0,-0.1,-0.083333333,-0.162790698,0.038461538,-0.166666667,-0.166666667,0.5,0,-0.388118812,0.140057756,-0.193011743,-0.074638233,0.098184818,-0.25990099,0.433168317,0,1.475007325,1.106286643,1.386686453,1.069026338,0.713596817,0.743947962,1.56E-05,0,1.5,1.19047619,1.146179402,0.824175824,1.111111111,0.952380952,0,0,1.5,1.19047619,1.146179402,0.824175824,1.111111111,0.952380952,0,0,1.5,1.19047619,1.146179402,0.824175824,1.111111111,0.952380952,0,0,1.5,1.19047619,1.146179402,0.824175824,1.111111111,0.952380952,0,0,1.5,1.19047619,1.146179402,0.824175824,1.111111111,0.952380952,0,0,1.797029703,0.85189769,1.329725996,0.919649657,0.676567657,1.188118812,0,0,27.47211959,13.7360598,21.20907931,27.47211959,3.924588513,13.73606296,2.13E-14,0.057307808,0.00818683,-2.001522876,49.16486822,7.023552603,2.726625515,27.47211959,13.7360598,21.20907931,27.47211959,3.924588513,13.73606296,2.13E-14,0.057307808,0.00818683,-2.001522876,49.16486822,7.023552603,2.726625515,27.47211959,13.7360598,21.20907931,27.47211959,3.924588513,13.73606296,2.13E-14,0.057307808,0.00818683,-2.001522876,49.16486822,7.023552603,2.726625515,27.47211959,13.7360598,21.20907931,27.47211959,3.924588513,13.73606296,2.13E-14,0.057307808,0.00818683,-2.001522876,49.16486822,7.023552603,2.726625515,27.47211959,13.7360598,21.20907931,27.47211959,3.924588513,13.73606296,2.13E-14,0.057307808,0.00818683,-2.001522876,49.16486822,7.023552603,2.726625515,27.47211959,13.7360598,21.20907931,27.47211959,3.924588513,13.73606296,2.13E-14,0.057307808,0.00818683,-2.001522876,49.16486822,7.023552603,2.726625515,32.02595457,15.92269951,24.42083984,31.89698632,4.556712331,15.92269983,-0.180555556,4.09E-04,5.84E-05,-5.461769466,31.93627135,4.562324479,2.424619678,0,11.89,12.11009426,-0.154950483,0.067251423,5.211369367,7.659943879,6,20,19,19,5,1,1,0,0,1,15.304898,3.543531206,3.112599877,2.533860441,2.333552793,1.679926776,1.162837791,0.704774646,0.083923071,1.892939815,1.667247237,1.249629723,1.225356019,0.768053038,0.440344289,0.240051915,0.083923071,3.565508615,3.150713835,2.583635352,2.405454588,1.766799617,1.269690916,0.844681316,0.270913902,1.838701138,1.58857667,1.134540686,1.131940815,0.635055144,0.290000277,0.071272196,0.270913902,3.664830268,3.318028628,2.798783177,2.704236987,2.127057374,1.702702127,1.386395371,0.943918427,1.685193044,1.351217995,0.840678152,0.76031856,0.194156529,0.218324093,0.518635242,0.943918427,3.581841408,3.178805544,2.620168058,2.457539916,1.829778383,1.346550641,0.943701826,0.399277246,1.804687516,1.537907807,1.070984147,1.058262671,0.546224338,0.188893887,0.043515308,0.399277246,3.714820677,3.398793114,2.900235555,2.838982085,2.287862565,1.891182114,1.611398374,1.207644823,1.639243539,1.275766962,0.745036637,0.631337262,0.039515059,0.40108138,0.740057356,1.207644823,3.590533676,3.189082159,2.72162263,2.571572866,1.88216213,1.394030801,1.060068277,0.545454545,1.793199502,1.508869786,0.954744492,0.935209229,0.466995607,0.108411986,0.176539884,0.545454545,0,0,0,2,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.333333333,0,0,0,0.288675135,0.204124145,0.204124145,0.19245009,0.136082763,0.136082763,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,5.439157589,2.936722277,2.080417576,0.756685203,0.40824829,0.272165527,0,0,0.777022513,0.489453713,0.346736263,0.189171301,0.136082763,0.136082763,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,3,0,1,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.421296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.589236111,0,0,1.310763889,0.580555556,0,0.589236111,0,0,0,0,0,0,0,0,6.525,0,1.164861111,0,4.421296296,0,0.722175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.199074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.243402778,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.151666667,0,1.164861111,0,2.199074074,0,0.722175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.222222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.290277778,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.186666667,0,1.164861111,0,2.222222222,0,0.722175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.83333333,1.833333333,0.300694444,2.222222222,0.243402778,0.722175926,4.925150787,0.611157407,0.222222222,1.892592593,0.611157407,0.222222222,1.892592593,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.85911,0.83702,7.02591,1.1668,0.16669,2.75403,0.39343,3.27005,0.51602,0.07372,0.14395,0.02056,0.14395,0.02056,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.926868018,2.748063851,3.141619208,2.974487065,2.424986001,19.28421252,40.46422837,57.70934087,65.97400337,62.46422837,50.92470602,0.209068641,0.438690521,0.62565238,0.715253226,0.67720221,0.552097166,3.474021589,2.465449405,1.644253572,1.250698215,1.417830358,1.967331422,0.209068641,0.438690521,0.62565238,0.715253226,0.67720221,0.552097166,6.73287657,14.49989563,17.81640094,17.16616207,16.60258614,12.89259294,27.64912502,19.78804626,16.36808494,17.09381635,18.16164688,13.63034952,7,4.166666667,6,7,2,6,2.23,1.0519,0.814325285,3.639717277,1.889881575,0,2.381101578,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,2.979,6,4,3,2,0,0,0,0,0,28,2.079441542,2.197224577,2.197224577,1.945910149,1.609437912,0,0,0,0,0,3.713572067,1.428571429,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,0,126.9918924,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,98.10955045,4.671883355,12.67036528,1.810052182,0,0,0,52,4,3.742,24,1.45545484,2.20849225,2.813658597,3.450035241,4.71706468,5.624281846,6.561416824,0,0,0,90.41504444,70.03608646,64.08152936,70.07130752,95.33144344,36.35118053,6.666819424,0,0,0,337.0739552,323.1446399,333.8465761,367.1502782,530.3335809,405.8966695,203.9534037,0,0,0,10.59232167,15.65991711,19.75028873,24.0494014,33.06557406,38.8891502,44.08264272,0,0,0,2.543520043,2.720693034,2.972728594,3.332908732,4.820428277,4.348406329,2.917290594,0,0,0,208.3610603,345.6406991,455.1454203,571.2260617,766.0118164,952.2019081,1213.321793,0,0,0,3.328054806,4.01689436,5.009482763,5.426461676,7.658561044,8.386565132,6.561416824,0,0,0,0.526946141,0.575558455,0.635357081,0.715549142,1.033565047,0.956016641,0.671889083,0,0,0,341.918378,143.5080125,9.799545894,133.6253201,-56.08444977,-7.700326555,208.293058,199.5924623,17.49987245,0.719005171,0.30177671,0.020607036,0.280994829,-0.117937531,-0.016192679,162.5971299,68.24433096,4.660112294,63.54467886,-26.67060665,-3.661841766,0.136177449,0.209535732,2.178054923,2.319544904,475.5436981,0,1,0,310.6370008,17.62489718,6.772531933,433.5230127,20.82121545,7.568399564,593.5927209,24.36375835,8.40419632,2.101672742,1.945385262,518.2717882,468.2959302,67.62760059,1.10671854,7.663613431,6.924627314,4.034576093,4.716891353,8.348357235,0.76988542,5.361628677,3.215888738,4.61815115,15.44431901,9.82414726,8.708505123,4.429487331,4.02641345,6.652384077,4.114768984,2.101574834,2.359246948,1.568339303,2.555930439,5.72E-06,0.100303689,3.62E-19,2.51E-58,3.37E-119,8.72E-202,4.35E-306,0,0,0,0,0,0,0,0,0,0.449603798,3.156906108,0.270881826,3.642582368,1.084928862,0.372916958,1.151210787,0.81801007,0.51696453,0.099942705,0.064876053,0.99464487,0.011062347,0.081694191,4.03E-08,7.06E-04,2.55E-21,1.77E-60,2.37E-121,6.14E-204,3.06E-308,0,0,0,0,0,0,0,0,0,1.451604831,3.160899653,0.951324927,5.101990967,2.30075618,1.439645876,1.573475857,1.331130325,1.46574419,0.474450809,0.282894749,1.233462932,0.115149379,0.351229348,4.19E-07,0.007361723,2.65E-20,1.85E-59,2.47E-120,6.40E-203,3.19E-307,0,0,0,0,0,0,0,0,0,5.060688805,3.209431432,4.278810431,14.3858961,9.088187147,7.973655577,4.141448173,3.779839068,6.169377907,3.711556687,1.906944596,2.261653133,1.397373379,2.321144112,5.09E-06,0.089368781,3.22E-19,2.24E-58,3.00E-119,7.77E-202,3.88E-306,0,0,0,0,0,0,0,0,0,2.139639522,3.166030141,1.479868767,6.38577842,3.304044413,2.360389974,1.936657626,1.725469684,2.207193919,0.863669642,0.49126341,1.40919961,0.250079469,0.606184343,9.11E-07,0.015990647,5.76E-20,4.01E-59,5.37E-120,1.39E-202,6.93E-307,0,0,0,0,0,0,0,0,0,6.47613384,3.243029146,5.957694745,19.74460483,12.77724155,11.68428282,5.595140847,4.996318301,8.56268336,5.786429743,2.901620295,2.736550015,2.287221971,3.519836861,8.34E-06,0.146283504,5.27E-19,3.67E-58,4.92E-119,1.27E-201,6.34E-306,0,0,0,0,0,0,0,0,0,2.791623504,2.900476219,2.271611902,7.793039514,4.330680757,3.522667785,2.660205248,2.20769868,3.004547002,1.477722991,0.81211567,1.849168452,0.466676832,1.00692828,1.70E-06,0.02984242,1.08E-19,7.48E-59,1.00E-119,2.59E-202,1.29E-306,0,0,0,0,0,0,0,0,0,6.138993008,1.127677411,0.37555467,0.803299162,0.14755878,0.563160186,0.511131353,0.478867985,7.64222509,9.651835756,19.89395212,0.704948743,1.553159524,4.683729256,0.607838062,0.091259636,0.870124434,0.112921717,0.328088819,0.154601498,0.027207546,5.382826954,3.329855422,8.972493897,0.805186651,0.509897863,5.260817222,0.8132512,0.206118134,0.837684864,0.129494752,0.413624862,0.271368211,0.144031907,6.280186556,5.53034157,12.69237693,0.756527296,0.829024981,6.102885048,1.114722045,0.368681665,0.80446253,0.146939048,0.556550238,0.499800286,0.461767506,7.586288758,9.4640199,19.55845758,0.706693795,1.51811803,5.518464994,0.905329781,0.256381891,0.826095666,0.135524826,0.455071481,0.33395911,0.223928322,6.680176666,6.642975354,14.60404382,0.7391435,1.012958912,6.252057959,1.168255396,0.397033455,0.79976725,0.149443977,0.584114129,0.547427614,0.534132966,7.817346811,10.2501131,20.96739244,0.699650875,1.665674709,6.110734933,1.113145063,0.368597704,0.804840682,0.146611568,0.557981853,0.498426556,0.461500948,7.5924777,9.464840002,19.56456883,0.707261024,1.517909357 +UMLMON0294,L,trans-2-methyl-3-hexene,CC/C=C/C(C)C,5352548,(trans) reported,"Sandia, UML",[1],C7H14,PubChem,,82,0,1.1794,1.39098436,34.0088,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1106.796102,1000.885373,716.421387,349.239913,90.93168,9.144576,0,3399.790734,4147.41404,5063.01831,5045.878747,4323.179921,2859.492269,1247.927098,279.7536999,0,146.842108,144.889944,254.381208,281.630516,293.42334,268.829668,163.638144,60.466176,0,25.74688067,32.32302034,42.78148384,44.22244258,40.4230942,29.71816146,14.68429815,4.001516144,0,3476.407621,2904.481805,5704.188715,6406.597306,6892.679202,6676.738568,4247.253023,1664.258868,0,37.27777778,44.41666667,62.33333333,68.16666667,67.5,55.5,30,9,0,48.76541633,51.7541979,30.74433617,25.02213432,17.05765207,8.954869564,3.78882,1.016064,0,161.8947969,207.370702,140.6393975,126.1469687,102.9328553,73.3203146,51.99696242,31.08374443,0,6.992481333,7.2444972,7.066144667,7.0407629,6.98627,6.89306841,6.818256,6.718464,0,1.226041937,1.616151017,1.188374551,1.105561065,0.962454624,0.76200414,0.611845756,0.444612905,0,165.54322,145.2240902,158.4496865,160.1649327,164.1114096,171.1984248,176.9688759,184.917652,0,1.775132275,2.220833333,1.731481481,1.704166667,1.607142857,1.423076923,1.25,1,0,0.03836888,1.22E-04,-0.011761872,-0.011985662,-0.003910726,-0.002690721,0.005419442,0.005622668,0,564.9747087,-53.80711511,-40.35533633,-147.9695666,-201.7766817,-40.35533633,80.71067267,121.066009,0,1050.594596,-100.0566282,-75.04247115,-275.1557275,-375.2123557,-75.04247115,150.0849423,225.1274134,0,0.110674667,-0.010540444,-0.007905333,-0.028986222,-0.039526667,-0.007905333,0.015810667,0.023716,0,4.696646663,-0.447299682,-0.335474762,-1.230074126,-1.677373808,-0.335474762,0.670949523,1.006424285,0,25.51225921,-2.429738973,-1.822304229,-6.681782175,-9.111521147,-1.822304229,3.644608459,5.466912688,0,3.415343915,-0.793713782,-0.040060469,-0.666792643,-0.648148148,-0.342781557,0.128495843,0.655328798,0,0.00182709,6.12E-06,-3.27E-04,-3.00E-04,-9.31E-05,-6.90E-05,2.26E-04,6.25E-04,0,26.90355756,-2.690355756,-1.120981565,-3.699239164,-4.804206706,-1.034752214,3.362944694,13.45177878,0,50.0283141,-5.00283141,-2.084513087,-6.878893188,-8.933627517,-1.924165927,6.253539262,25.01415705,0,0.005270222,-5.27E-04,-2.20E-04,-7.25E-04,-9.41E-04,-2.03E-04,6.59E-04,0.002635111,0,0.223649841,-0.022364984,-0.009318743,-0.030751853,-0.039937472,-0.008601917,0.02795623,0.111824921,0,1.214869486,-0.121486949,-0.050619562,-0.167044554,-0.21694098,-0.046725749,0.151858686,0.607434743,0,0.162635425,-0.039685689,-0.001112791,-0.016669816,-0.015432099,-0.008789271,0.005353993,0.072814311,0,0.003350402,-0.178819189,-0.163999381,-0.050962208,-0.037761059,0.123590058,0.341932296,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.244016266,-0.006842241,-0.102498064,-0.094887684,-0.054042781,0.032920217,0.44771495,0,1.32516709,1.350881334,1.265889889,0.971854765,0.82050289,0.473775272,0.004579473,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.683578621,0.919506842,1.085786212,1.068938807,0.957218614,0.731990705,0,0,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,31.42320092,15.6528703,24.86067594,31.3393007,4.477042957,15.65287074,-0.117460317,0.240277402,0.034325343,-0.998172827,24.32773304,3.475390435,2.234131884,0,11.89,12.11009426,-0.179294889,0.044702308,5.250774834,7.999880075,6,20,19,19,5,1,1,0,0,1,15.304898,3.561683453,3.072403693,2.598482448,2.231636571,1.723411963,1.331305785,0.343941434,0.083923071,1.896572142,1.632714106,1.376164746,1.134595428,0.729442284,0.589838218,0.083923071,0.083923071,3.582066101,3.111356374,2.655875999,2.301455032,1.802351717,1.439212277,0.471719429,0.270913902,1.843376942,1.553828189,1.273394177,1.020093548,0.602620753,0.445239909,0.270913902,0.270913902,3.675510626,3.28136032,2.901316268,2.594049455,2.13053669,1.871292848,0.958553221,0.943918427,1.694914841,1.314920003,0.948617343,0.64932689,0.192059624,0.050729835,0.943918427,0.943918427,3.597286032,3.140007744,2.697855533,2.35219223,1.859577374,1.516496681,0.561919687,0.399277246,1.810190084,1.502958636,1.205982083,0.944304394,0.518799341,0.347437272,0.399277246,0.399277246,3.723281997,3.362948585,3.01559518,2.727011039,2.278314611,2.056990427,1.207644823,1.207644823,1.651241268,1.238556136,0.840403099,0.52234351,0.050517284,0.231556412,1.153231984,1.207644823,3.603356098,3.171021977,2.807056218,2.410406457,1.952450765,1.576642281,0.650993015,0.552631579,1.808670209,1.437339154,1.084742326,0.861065488,0.41775703,0.24656313,0.552631579,0.552631579,0,0,0,1,1,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.204124145,0,0,0,0.49279928,0.40824829,0.204124145,0.348461713,0.288675135,0.144337567,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.491563832,2.926685576,1.885027805,1.137136847,0.538675135,0.144337567,0,0,0.784509119,0.487780929,0.314171301,0.227427369,0.179558378,0.144337567,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,3,0,1,0,0,0,0,0,0,0,0,3,0,2,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.672453704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.759305556,0.870833333,0,0.306319444,0,0,0,0,0,0,0,0,6.459814815,0,2.534398148,0,2.170138889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.225625,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.088287037,0,1.260416667,0,2.170138889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.170138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.290277778,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.201388889,0,1.273981481,0,2.170138889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.80952381,0.306319444,2.201388889,0.053819444,1.260416667,4.408032407,0.239583333,0.201388889,1.259907407,0.239583333,0.201388889,1.259907407,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.0332,0.86189,7.07892,1.04572,0.14939,2.69415,0.38488,3.30805,0.6139,0.0877,0.10595,0.01514,0.10595,0.01514,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.006330931,3.236857303,3.522571589,3.522571589,3.104255644,19.28421252,42.13294954,67.97400337,73.97400337,73.97400337,65.18936853,0.209068641,0.456781862,0.736936107,0.80198475,0.80198475,0.706746655,3.474021589,2.385986492,1.155460119,0.869745834,0.869745834,1.288061779,0.209068641,0.456781862,0.736936107,0.80198475,0.80198475,0.706746655,6.73287657,17.06886394,19.35589302,19.64384303,19.64384303,14.62405169,27.64912502,15.92879954,14.58757905,13.89556055,13.89556055,11.38566488,7,4.166666667,3.84,7,2,6,2.23,1.0519,0.766309432,4.112265279,1.650963624,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,3.184,6,5,3,1,0,0,0,0,0,28,2.079441542,2.302585093,2.197224577,1.791759469,1.098612289,0,0,0,0,0,3.663561646,1.357142857,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,0,126.9918924,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,98.10955045,4.671883355,12.66537523,1.809339318,0,0,0,50,5,3.405,24,1.211820196,2.097762324,2.969546675,3.730019133,4.525107853,5.543020375,6.814163195,0,0,0,73.57167662,75.27677688,84.66877825,73.82527213,47.55970847,23.26924074,6.923625912,0,0,0,276.6580858,325.9634741,403.801415,416.3557752,360.6714665,305.3243674,211.8097072,0,0,0,8.813762157,14.89376499,20.97244425,26.14561743,31.29278639,37.8753481,45.78071011,0,0,0,2.096092019,2.682163225,3.460028766,3.797811283,3.651248515,3.528247038,3.029664892,0,0,0,173.8229843,327.2992027,470.9975859,605.7089824,766.9123128,974.441076,1260.059058,0,0,0,2.786164609,3.804691093,5.223818442,6.206183983,6.71205336,7.133241195,6.814163195,0,0,0,0.434569419,0.565324178,0.734440195,0.814704829,0.797237809,0.786419671,0.697770311,0,0,0,361.8503435,146.4671991,9.788783436,119.2218377,-48.25776444,-7.2150437,242.6285059,194.7249636,17.00382714,0.752174741,0.304459923,0.020347848,0.247825259,-0.100312939,-0.01499784,174.076134,70.46129497,4.709111399,57.3543095,-23.215468,-3.47095681,0.140516967,0.217712569,1.6537343,1.513135438,481.0721812,0,1,0,393.6790374,19.84134666,7.329045705,533.9287334,23.10689796,8.112619325,613.4889444,24.76870898,8.497064474,1.628923451,1.628923451,481.8496908,391.5328528,106.2062084,1.230674993,4.536925836,3.686534514,4.170958531,4.529217033,7.101345155,0.567896858,5.73778773,4.941786462,2.439731415,16.44423721,7.258416217,6.085659722,4.263803936,9.006925383,9.362078388,0.051142248,3.098578032,1.879254448,1.276925855,1.25E-07,8.46E-36,1.10E-85,2.76E-157,1.34E-250,0,0,0,0,0,0,0,0,0,0,0,0,0.481536642,4.934875649,0.199729088,5.100227578,1.621708454,0.219301345,1.943307684,1.158296653,0.60420345,0.001415855,0.437911849,0.127751902,0.008993493,8.82E-10,5.96E-38,7.75E-88,1.95E-159,9.43E-253,0,0,0,0,0,0,0,0,0,0,0,0,1.554449548,4.935337573,0.6480581,6.070983895,2.279933834,0.89996022,2.31230469,2.27789377,1.581599007,0.006465104,0.739147201,0.432140805,0.093719133,9.20E-09,6.21E-37,8.08E-87,2.03E-158,9.83E-252,0,0,0,0,0,0,0,0,0,0,0,0,5.416003805,4.941027761,2.299450414,15.27402012,6.739165002,5.543702305,4.084717543,8.355754165,8.539279661,0.046293481,2.850130717,1.753233046,1.137717947,1.12E-07,7.54E-36,9.81E-86,2.46E-157,1.19E-250,0,0,0,0,0,0,0,0,0,0,0,0,2.290970623,4.935936364,0.958465461,7.136676006,2.877972892,1.520656828,2.596686995,3.189719006,2.493137369,0.011445838,1.017750059,0.656869674,0.203570481,2.00E-08,1.35E-36,1.76E-86,4.41E-158,2.13E-251,0,0,0,0,0,0,0,0,0,0,0,0,6.929208768,4.944976667,2.962705027,21.31719702,9.378733519,8.299866067,4.968921931,11.61171793,12.73399889,0.071143988,4.115617241,2.367196054,1.862276351,1.83E-07,1.23E-35,1.61E-85,4.03E-157,1.95E-250,0,0,0,0,0,0,0,0,0,0,0,0,3.269369457,4.587212853,1.300987227,8.616193189,4.048870418,2.40768314,2.936662097,4.306226522,3.926692625,0.019811287,1.560353718,1.028836779,0.389975278,3.83E-08,2.58E-36,3.36E-86,8.44E-158,4.09E-251,0,0,0,0,0,0,0,0,0,0,0,0,5.143600965,1.64951235,0.375380974,0.71752878,0.230105833,0.577114568,0.535863205,0.476162519,7.168494289,11.03443881,21.38782794,0.576293171,1.589140292,3.912763267,1.001459441,0.080926219,0.783312635,0.200486403,0.333662871,0.196985842,0.022130396,4.995148927,4.316163175,9.628419362,0.674968952,0.552779109,4.401561355,1.258895715,0.19787409,0.751333654,0.214889818,0.422393303,0.311678247,0.132308746,5.85833116,6.661164522,13.61593713,0.62700048,0.866380297,5.113124274,1.633473003,0.368091104,0.718671571,0.229591644,0.570284445,0.5254673,0.457848016,7.114688381,10.8355129,21.02455357,0.578007356,1.55359976,4.61946195,1.37362249,0.25000257,0.739932335,0.220022961,0.465323422,0.37125083,0.211202784,6.24308701,7.843683337,15.67313586,0.609898503,1.047777036,5.239016593,1.699726017,0.398203611,0.71405956,0.231666686,0.598761554,0.569068389,0.535822667,7.336946221,11.66792517,22.55083186,0.571089341,1.703652609,5.123014035,1.635709489,0.368112778,0.718834251,0.22951411,0.572471839,0.526860072,0.457901935,7.126836301,10.86773516,21.07926917,0.578251376,1.557233845 +UMLMON0295,L,trans-3-methyl-2-hexene,CCC/C(=C/C)/C,5352660,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C7H14,UML,,79.4,0,1.1794,1.39098436,34.0088,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1106.796102,1000.885373,716.421387,349.239913,90.93168,9.144576,0,3399.790734,4147.41404,5063.01831,5045.878747,4323.179921,2859.492269,1247.927098,279.7536999,0,146.842108,144.889944,254.381208,281.630516,293.42334,268.829668,163.638144,60.466176,0,25.74688067,32.32302034,42.78148384,44.22244258,40.4230942,29.71816146,14.68429815,4.001516144,0,3476.407621,2904.481805,5704.188715,6406.597306,6892.679202,6676.738568,4247.253023,1664.258868,0,37.27777778,44.41666667,62.33333333,68.16666667,67.5,55.5,30,9,0,48.76541633,51.7541979,30.74433617,25.02213432,17.05765207,8.954869564,3.78882,1.016064,0,161.8947969,207.370702,140.6393975,126.1469687,102.9328553,73.3203146,51.99696242,31.08374443,0,6.992481333,7.2444972,7.066144667,7.0407629,6.98627,6.89306841,6.818256,6.718464,0,1.226041937,1.616151017,1.188374551,1.105561065,0.962454624,0.76200414,0.611845756,0.444612905,0,165.54322,145.2240902,158.4496865,160.1649327,164.1114096,171.1984248,176.9688759,184.917652,0,1.775132275,2.220833333,1.731481481,1.704166667,1.607142857,1.423076923,1.25,1,0,0.03836888,1.22E-04,-0.011761872,-0.011985662,-0.003910726,-0.002690721,0.005419442,0.005622668,0,564.9747087,-53.80711511,-40.35533633,-147.9695666,-201.7766817,-40.35533633,80.71067267,121.066009,0,1050.594596,-100.0566282,-75.04247115,-275.1557275,-375.2123557,-75.04247115,150.0849423,225.1274134,0,0.110674667,-0.010540444,-0.007905333,-0.028986222,-0.039526667,-0.007905333,0.015810667,0.023716,0,4.696646663,-0.447299682,-0.335474762,-1.230074126,-1.677373808,-0.335474762,0.670949523,1.006424285,0,25.51225921,-2.429738973,-1.822304229,-6.681782175,-9.111521147,-1.822304229,3.644608459,5.466912688,0,3.415343915,-0.793713782,-0.040060469,-0.666792643,-0.648148148,-0.342781557,0.128495843,0.655328798,0,0.00182709,6.12E-06,-3.27E-04,-3.00E-04,-9.31E-05,-6.90E-05,2.26E-04,6.25E-04,0,26.90355756,-2.690355756,-1.120981565,-3.699239164,-4.804206706,-1.034752214,3.362944694,13.45177878,0,50.0283141,-5.00283141,-2.084513087,-6.878893188,-8.933627517,-1.924165927,6.253539262,25.01415705,0,0.005270222,-5.27E-04,-2.20E-04,-7.25E-04,-9.41E-04,-2.03E-04,6.59E-04,0.002635111,0,0.223649841,-0.022364984,-0.009318743,-0.030751853,-0.039937472,-0.008601917,0.02795623,0.111824921,0,1.214869486,-0.121486949,-0.050619562,-0.167044554,-0.21694098,-0.046725749,0.151858686,0.607434743,0,0.162635425,-0.039685689,-0.001112791,-0.016669816,-0.015432099,-0.008789271,0.005353993,0.072814311,0,0.003350402,-0.178819189,-0.163999381,-0.050962208,-0.037761059,0.123590058,0.341932296,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.244016266,-0.006842241,-0.102498064,-0.094887684,-0.054042781,0.032920217,0.44771495,0,1.32516709,1.350881334,1.265889889,0.971854765,0.82050289,0.473775272,0.004579473,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.683578621,0.919506842,1.085786212,1.068938807,0.957218614,0.731990705,0,0,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,31.42320092,15.6528703,24.86067594,31.3393007,4.477042957,15.65287074,-0.117460317,0.240277402,0.034325343,-0.998172827,24.32773304,3.475390435,2.234131884,0,11.89,12.11009426,-0.179294889,0.044702308,5.250774834,7.999880075,6,20,19,19,5,1,1,0,0,1,15.304898,3.561683453,3.072403693,2.598482448,2.231636571,1.723411963,1.331305785,0.343941434,0.083923071,1.896572142,1.632714106,1.376164746,1.134595428,0.729442284,0.589838218,0.083923071,0.083923071,3.582066101,3.111356374,2.655875999,2.301455032,1.802351717,1.439212277,0.471719429,0.270913902,1.843376942,1.553828189,1.273394177,1.020093548,0.602620753,0.445239909,0.270913902,0.270913902,3.675510626,3.28136032,2.901316268,2.594049455,2.13053669,1.871292848,0.958553221,0.943918427,1.694914841,1.314920003,0.948617343,0.64932689,0.192059624,0.050729835,0.943918427,0.943918427,3.597286032,3.140007744,2.697855533,2.35219223,1.859577374,1.516496681,0.561919687,0.399277246,1.810190084,1.502958636,1.205982083,0.944304394,0.518799341,0.347437272,0.399277246,0.399277246,3.723281997,3.362948585,3.01559518,2.727011039,2.278314611,2.056990427,1.207644823,1.207644823,1.651241268,1.238556136,0.840403099,0.52234351,0.050517284,0.231556412,1.153231984,1.207644823,3.603356098,3.171021977,2.807056218,2.410406457,1.952450765,1.576642281,0.650993015,0.552631579,1.808670209,1.437339154,1.084742326,0.861065488,0.41775703,0.24656313,0.552631579,0.552631579,0,0,0,1,1,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.204124145,0,0,0,0.49279928,0.40824829,0.204124145,0.348461713,0.288675135,0.144337567,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.491563832,2.926685576,1.885027805,1.137136847,0.538675135,0.144337567,0,0,0.784509119,0.487780929,0.314171301,0.227427369,0.179558378,0.144337567,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,3,0,1,0,0,0,0,0,0,0,0,3,0,2,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.672453704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.759305556,0.870833333,0,0.306319444,0,0,0,0,0,0,0,0,6.459814815,0,2.534398148,0,2.170138889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.225625,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.088287037,0,1.260416667,0,2.170138889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.170138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.290277778,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.201388889,0,1.273981481,0,2.170138889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.80952381,0.306319444,2.201388889,0.053819444,1.260416667,4.408032407,0.239583333,0.201388889,1.259907407,0.239583333,0.201388889,1.259907407,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.0332,0.86189,7.07892,1.04572,0.14939,2.69415,0.38488,3.30805,0.6139,0.0877,0.10595,0.01514,0.10595,0.01514,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.006330931,3.236857303,3.522571589,3.522571589,3.104255644,19.28421252,42.13294954,67.97400337,73.97400337,73.97400337,65.18936853,0.209068641,0.456781862,0.736936107,0.80198475,0.80198475,0.706746655,3.474021589,2.385986492,1.155460119,0.869745834,0.869745834,1.288061779,0.209068641,0.456781862,0.736936107,0.80198475,0.80198475,0.706746655,6.73287657,17.06886394,19.35589302,19.64384303,19.64384303,14.62405169,27.64912502,15.92879954,14.58757905,13.89556055,13.89556055,11.38566488,7,4.166666667,3.84,7,2,6,2.23,1.0519,0.766309432,4.112265279,1.650963624,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,3.184,6,5,3,1,0,0,0,0,0,28,2.079441542,2.302585093,2.197224577,1.791759469,1.098612289,0,0,0,0,0,3.663561646,1.357142857,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,0,126.9918924,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,98.10955045,4.671883355,12.66537523,1.809339318,0,0,0,50,5,3.405,24,1.212209546,2.097853128,2.979580481,3.792608791,4.623408893,4.872031576,4.910473164,0,0,0,73.68238616,75.87250174,86.2936463,70.84635889,40.27621175,17.82364266,4.989355005,0,0,0,276.9504136,327.4303253,409.2092068,416.5117115,335.3057256,248.5368367,152.6358929,0,0,0,8.816872584,14.89673673,21.05335759,26.58989154,31.85923478,33.19588287,32.99083717,0,0,0,2.097869285,2.690416498,3.497067535,3.835741229,3.499143579,2.942596505,2.183259738,0,0,0,173.8614863,327.1602585,471.8532919,615.1635133,792.2844936,864.0200757,908.0331678,0,0,0,2.78936816,3.812841001,5.276829018,6.338948548,6.601278498,6.032731144,4.910473164,0,0,0,0.434921522,0.566925499,0.741941169,0.823872302,0.767902081,0.658608294,0.502832452,0,0,0,320.3272589,129.6597814,9.009199581,60.16127024,-24.35164953,-3.792211895,260.1659887,154.0114309,12.80141148,0.841884142,0.340771854,0.023677979,0.158115858,-0.064001008,-0.009966692,121.8808476,49.3340595,3.427897098,22.89067323,-9.265523314,-1.442893126,0.140516967,0.217712569,2.623593514,1.766465806,380.4885292,0,1,0,392.3601426,19.80808276,7.320852013,532.7628836,23.08165687,8.106710304,617.5762253,24.85108097,8.515892874,2.418801571,2.418801571,434.4637185,295.2921612,155.2984212,1.471301225,2.797605508,1.90144986,4.167027193,4.057296081,6.627848795,0.633563009,5.803797453,4.961461958,4.887838146,11.76565593,10.4939367,5.976165515,8.112561512,11.62174169,12.23355694,3.24258991,5.675350651,0.390376037,1.93E-06,1.84E-33,3.39E-82,1.20E-152,8.24E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0.487076946,4.940412888,0.298517853,3.590044944,2.191229129,0.353487791,2.196893389,1.556772516,0.69799142,0.104115844,0.124256786,0.00274945,1.36E-08,1.30E-35,2.39E-84,8.48E-155,5.81E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,1.57233295,4.941819553,1.037244139,4.31524331,3.114162025,1.14236965,3.074178861,2.873288549,2.326911609,0.44679498,0.633082649,0.028651392,1.42E-07,1.35E-34,2.49E-83,8.84E-154,6.05E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,5.478311633,4.959150999,4.53681907,10.93133004,9.712604165,5.505008272,7.633584641,10.74450613,11.27061701,2.94504982,5.114670355,0.347818021,1.72E-06,1.64E-33,3.02E-82,1.07E-152,7.35E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,2.317327174,4.943643255,1.603162262,5.09324901,3.976897857,1.790455341,3.774459515,3.996150763,3.660599897,0.770501085,1.167734558,0.062234653,3.08E-07,2.94E-34,5.41E-83,1.92E-153,1.31E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,7.00892494,4.971179203,6.267056396,15.23381763,13.69688346,7.864780624,10.01864205,15.16617024,16.09040011,4.463926354,8.002051823,0.569326762,2.82E-06,2.69E-33,4.95E-82,1.76E-152,1.20E-244,0,0,0,0,0,0,0,0,0,0,0,0,0,3.30461888,4.582334206,2.275246154,6.185153086,5.012111124,2.559375183,4.685911781,5.860663712,5.900279008,1.313143098,2.06807851,0.119221491,5.90E-07,5.63E-34,1.04E-82,3.68E-153,2.52E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,3.852563123,2.291001499,0.380991677,0.590471282,0.351135218,0.513788093,0.482734334,0.476036766,6.524556299,11.16687487,21.05415053,0.41240975,1.472559193,2.943105473,1.500990755,0.082135798,0.65023301,0.331620374,0.303153228,0.208588925,0.022124552,4.526232026,4.782593494,9.671666492,0.475349515,0.533866704,3.303202101,1.81586781,0.200831652,0.620914139,0.341334852,0.379877746,0.304659427,0.132273804,5.319901563,7.026249634,13.55077527,0.443373486,0.816810976,3.829940569,2.271550004,0.373592847,0.591488993,0.350814014,0.507867512,0.474674024,0.457727099,6.47508342,10.97937475,20.70467914,0.41345451,1.440268634,3.464199325,1.955734139,0.25373928,0.610574399,0.344703374,0.416999548,0.352980373,0.211147005,5.673672744,8.150302898,15.54307268,0.43291666,0.981126927,3.923420423,2.351866814,0.404155436,0.587387394,0.352105247,0.532559664,0.508376031,0.535681157,6.679442673,11.76355374,22.17228505,0.409238961,1.576616852,3.837454753,2.275562423,0.373614845,0.591594334,0.350808003,0.509888894,0.476380258,0.457781004,6.48663202,11.0162818,20.76545607,0.413603506,1.444050156 +UMLMON0296,L,cis-3-methyl-2-hexene,CCC/C(=C\C)/C,5357248,Sandia values from independent api report ,Sandia,,C7H14,PubChem,,80,0,0.804,0.646416,33.3967,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1117.887126,1003.933565,705.330363,346.191721,90.93168,9.144576,0,3399.790734,4147.41404,5146.671182,5139.12998,4239.527049,2766.241036,1247.927098,279.7536999,0,146.842108,144.889944,254.780376,301.785908,293.024172,248.674276,163.638144,60.466176,0,25.74688067,32.32302034,43.45041525,45.5562813,39.7541628,28.38432275,14.68429815,4.001516144,0,3476.407621,2904.481805,5672.393611,6961.350263,6924.474307,6121.985612,4247.253023,1664.258868,0,38.02777778,44.66666667,63.33333333,73,68.5,52.5,30,9,0,48.76541633,51.7541979,31.05242017,23.34729221,16.79358007,9.616436694,3.78882,1.016064,0,161.8947969,207.370702,142.9630884,119.5146507,100.9411202,76.84002878,51.99696242,31.08374443,0,6.992481333,7.2444972,7.077232667,7.01827693,6.976766,6.907618778,6.818256,6.718464,0,1.226041937,1.616151017,1.206955979,1.059448402,0.946527686,0.78845341,0.611845756,0.444612905,0,165.54322,145.2240902,157.5664892,161.8918666,164.8684359,170.0551559,176.9688759,184.917652,0,1.810846561,2.233333333,1.759259259,1.697674419,1.630952381,1.458333333,1.25,1,0,0.043083303,-0.005748698,-0.011855041,-0.003534128,-0.008589674,-0.002963015,0.005525861,0.005623043,0,564.9747087,-53.80711511,-80.71067267,-107.6142302,-161.4213453,-80.71067267,80.71067267,121.066009,0,1050.594596,-100.0566282,-150.0849423,-200.1132564,-300.1698846,-150.0849423,150.0849423,225.1274134,0,0.110674667,-0.010540444,-0.015810667,-0.021080889,-0.031621333,-0.015810667,0.015810667,0.023716,0,4.696646663,-0.447299682,-0.670949523,-0.894599364,-1.341899046,-0.670949523,0.670949523,1.006424285,0,25.51225921,-2.429738973,-3.644608459,-4.859477945,-7.289216918,-3.644608459,3.644608459,5.466912688,0,3.740740741,-1.049382716,-0.12962963,-0.117283951,-0.925925926,-0.527777778,0.185185185,0.694444444,0,0.002051586,-2.87E-04,-3.29E-04,-8.22E-05,-2.05E-04,-8.23E-05,2.30E-04,6.25E-04,0,26.90355756,-2.690355756,-2.24196313,-2.502656517,-3.843365365,-2.24196313,3.362944694,13.45177878,0,50.0283141,-5.00283141,-4.169026175,-4.65379666,-7.146902014,-4.169026175,6.253539262,25.01415705,0,0.005270222,-5.27E-04,-4.39E-04,-4.90E-04,-7.53E-04,-4.39E-04,6.59E-04,0.002635111,0,0.223649841,-0.022364984,-0.018637487,-0.020804636,-0.031949977,-0.018637487,0.02795623,0.111824921,0,1.214869486,-0.121486949,-0.101239124,-0.113011115,-0.173552784,-0.101239124,0.151858686,0.607434743,0,0.178130511,-0.052469136,-0.003600823,-0.002727534,-0.022045855,-0.014660494,0.007716049,0.077160494,0,-0.140103774,-0.160513236,-0.040061214,-0.099686809,-0.040118213,0.112227426,0.304536398,0,-0.1,-0.083333333,-0.093023256,-0.142857143,-0.083333333,0.125,0.5,0,-0.1,-0.083333333,-0.093023256,-0.142857143,-0.083333333,0.125,0.5,0,-0.1,-0.083333333,-0.093023256,-0.142857143,-0.083333333,0.125,0.5,0,-0.1,-0.083333333,-0.093023256,-0.142857143,-0.083333333,0.125,0.5,0,-0.1,-0.083333333,-0.093023256,-0.142857143,-0.083333333,0.125,0.5,0,-0.294554455,-0.020214521,-0.015311996,-0.123762376,-0.08230198,0.043316832,0.433168317,0,1.447286256,1.200452584,1.144146491,1.160013484,0.827501684,0.420526451,0.004046772,0,1.5,1.19047619,1.096345515,1.071428571,0.892857143,0.535714286,0,0,1.5,1.19047619,1.096345515,1.071428571,0.892857143,0.535714286,0,0,1.5,1.19047619,1.096345515,1.071428571,0.892857143,0.535714286,0,0,1.5,1.19047619,1.096345515,1.071428571,0.892857143,0.535714286,0,0,1.5,1.19047619,1.096345515,1.071428571,0.892857143,0.535714286,0,0,1.707920792,0.969471947,1.003338706,1.135077793,0.946782178,0.668316832,0,0,26.81117176,13.40558588,20.12264621,26.81117176,3.830167394,13.40559025,0,0.051175182,0.00731074,-2.080750416,27.81951837,3.97421691,2.328016512,26.81117176,13.40558588,20.12264621,26.81117176,3.830167394,13.40559025,0,0.051175182,0.00731074,-2.080750416,27.81951837,3.97421691,2.328016512,26.81117176,13.40558588,20.12264621,26.81117176,3.830167394,13.40559025,0,0.051175182,0.00731074,-2.080750416,27.81951837,3.97421691,2.328016512,26.81117176,13.40558588,20.12264621,26.81117176,3.830167394,13.40559025,0,0.051175182,0.00731074,-2.080750416,27.81951837,3.97421691,2.328016512,26.81117176,13.40558588,20.12264621,26.81117176,3.830167394,13.40559025,0,0.051175182,0.00731074,-2.080750416,27.81951837,3.97421691,2.328016512,26.81117176,13.40558588,20.12264621,26.81117176,3.830167394,13.40559025,0,0.051175182,0.00731074,-2.080750416,27.81951837,3.97421691,2.328016512,33.08719349,16.45331897,25.18151966,32.95822524,4.708317891,16.45331916,-0.180555556,0.18489568,0.026413669,-1.181574453,105.4181935,15.05974194,3.260554665,0,11.89,12.11009426,-0.180970497,0.04348786,5.364311711,8.125129062,6,20,19,19,5,1,1,0,0,1,15.304898,3.549650129,3.072964235,2.668226018,2.170341214,1.765525666,1.136491938,0.70799815,0.083923071,1.901728157,1.614809531,1.41999359,1.044738502,0.83158461,0.429767362,0.241114104,0.083923071,3.571886326,3.109594882,2.723623996,2.23776688,1.851395137,1.244899136,0.847575223,0.270913902,1.847274582,1.536907995,1.320244588,0.933693253,0.701660397,0.27810482,0.072458632,0.270913902,3.672228095,3.271509747,2.960395295,2.520856036,2.20518755,1.684122765,1.388314256,0.943918427,1.692768716,1.303838654,1.006051423,0.574394797,0.270840158,0.235863561,0.516845429,0.943918427,3.588403904,3.136653806,2.764125936,2.286803276,1.913473427,1.322892629,0.946383141,0.399277246,1.813090879,1.486896145,1.254906611,0.86022244,0.614888989,0.176024218,0.042233881,0.399277246,3.722635822,3.350297194,3.070735819,2.649651239,2.362462837,1.875015439,1.613027838,1.207644823,1.646402622,1.230443023,0.90162349,0.451424504,0.119452597,0.421084545,0.737949263,1.207644823,3.589319815,3.182291439,2.839062126,2.394692793,1.962897998,1.381151919,1.059818578,0.545454545,1.827511554,1.403268279,1.163040986,0.748407288,0.530936279,0.092388722,0.174500258,0.545454545,0,0,0,2,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.23570226,0,0,0,0.49279928,0.40824829,0.204124145,0.371785024,0.272165527,0.136082763,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.439157589,2.936722277,1.911315598,1.164933494,0.464615617,0.136082763,0,0,0.777022513,0.489453713,0.3185526,0.232986699,0.154871872,0.136082763,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,4,2,0,2,0,0,0,0,0,0,0,0,3,0,1,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.327546296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.607013889,0,0,1.002708333,0.580555556,0,0.607013889,0,0,0,0,0,0,0,0,6.482962963,0,1.254305556,0,4.327546296,0,0.768518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.105324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.225625,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.061666667,0,1.254305556,0,2.105324074,0,0.768518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.222222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.318472222,0,0,0.290277778,0.290277778,0,0.318472222,0,0,0,0,0,0,0,0,2.222222222,0,1.254305556,0,2.222222222,0,0.768518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.83333333,1.833333333,0.318472222,2.222222222,0.225625,0.768518519,4.943548611,0.564814815,0.222222222,1.621018519,0.564814815,0.222222222,1.621018519,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.92346,0.84621,7.07892,1.15546,0.16507,2.73137,0.3902,3.30805,0.57668,0.08238,0.10595,0.01514,0.10595,0.01514,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.058053137,3.236857303,3.617809684,3.617809684,3.104255644,19.28421252,43.21911587,67.97400337,75.97400337,75.97400337,65.18936853,0.209068641,0.468557469,0.736936107,0.823667631,0.823667631,0.706746655,3.474021589,2.334264286,1.155460119,0.774507738,0.774507738,1.288061779,0.209068641,0.468557469,0.736936107,0.823667631,0.823667631,0.706746655,6.73287657,16.07411706,19.35589302,19.73982637,19.73982637,13.57717789,27.64912502,17.70101564,14.58757905,13.66772079,13.66772079,12.52486365,7,4.166666667,3.84,7,2,6,2.23,1.0519,0.766309432,4.112265279,1.650963624,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,2.979,6,5,3,1,0,0,0,0,0,28,2.079441542,2.197224577,2.197224577,1.945910149,1.098612289,0,0,0,0,0,3.663561646,1.357142857,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,0,126.9918924,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,98.10955045,4.671883355,12.66537523,1.809339318,0,0,0,50,5,3.847,24,1.213039055,2.110743855,2.943799703,3.676286036,4.534438117,5.715392427,7.233371665,0,0,0,73.79407948,75.57864894,78.60514609,74.37994753,53.70735555,24.67678981,7.349568547,0,0,0,277.2830912,330.6923167,379.1592963,409.728671,389.4900838,319.977643,224.8402762,0,0,0,8.823101986,15.0049,20.71882479,25.74637511,31.46447156,39.07777813,48.59714713,0,0,0,2.100081603,2.72500085,3.282961749,3.723261783,3.86302575,3.679215934,3.216050388,0,0,0,173.9682521,327.7715159,472.427757,598.9207394,760.1453789,1002.782715,1337.578104,0,0,0,2.795716384,3.878328807,5.158307856,6.246005051,6.980163886,7.416730854,7.233371665,0,0,0,0.435368659,0.574347049,0.698433166,0.798474775,0.840331413,0.819360352,0.740697258,0,0,0,355.7889023,150.3331263,9.950080283,107.9317718,-45.60490948,-6.725390544,247.8571305,195.9380358,16.67547083,0.767248307,0.324188967,0.021457056,0.232751693,-0.098345646,-0.014503107,164.9866696,69.71257868,4.614057937,50.05019398,-21.14793937,-3.118702637,0.135268726,0.214841992,1.87624815,1.371567658,463.7206741,0,1,0,391.3642354,19.78292788,7.314652719,531.7431071,23.05955566,8.101534573,609.9497314,24.69716039,8.480693118,1.744888195,1.468623321,494.0604383,444.3231163,77.91129375,1.111939533,6.34131991,5.702935927,4.062351416,4.531874652,7.800044778,0.721151924,5.792566674,4.756595832,2.484747825,17.2873212,8.300810728,7.572263351,6.509745546,5.787313748,6.02154838,2.779429677,1.904109492,1.259139717,3.319914752,0.154574913,0.035357695,9.33E-22,4.79E-63,4.78E-126,9.27E-211,3.4968385E-317,0,0,0,0,0,0,0,0,0,0,0.486136201,4.748237484,0.187058402,5.759304031,1.724644967,0.418026199,1.069365245,0.971290053,2.001722398,0.110586157,0.056063366,0.286713638,0.179107343,0.001089532,2.49E-04,6.57E-24,3.37E-65,3.36E-128,6.53E-213,2.46287E-319,0,0,0,0,0,0,0,0,0,0,1.56929179,4.748796131,0.617994032,6.591498885,2.270735676,1.492418219,2.030949838,1.612509972,2.54127464,0.437817746,0.24933205,0.484958955,0.643750375,0.011347104,0.002595055,6.84E-23,3.51E-64,3.51E-127,6.80E-212,2.566483E-318,0,0,0,0,0,0,0,0,0,0,5.467710802,4.755678202,2.330616395,16.04353341,7.616537495,6.997753183,6.124008872,5.371550969,5.676056119,2.539087863,1.725895565,1.199520904,3.065210108,0.137724049,0.03150307,8.31E-22,4.26E-63,4.26E-126,8.26E-211,3.1156205E-317,0,0,0,0,0,0,0,0,0,0,2.312844144,4.749520332,0.925122128,7.614366964,2.882031427,2.344548325,2.735262871,2.154184695,2.9950891,0.727042995,0.436625563,0.62112166,1.015108684,0.024645338,0.005636806,1.49E-22,7.63E-64,7.62E-127,1.48E-211,5.574745E-318,0,0,0,0,0,0,0,0,0,0,6.995361745,4.76045431,3.070719638,22.50342387,11.15419876,9.854438759,7.997769568,7.464002274,7.413613536,3.756686275,2.637846482,1.47998079,4.333852194,0.225430216,0.051565875,1.36E-21,6.98E-63,6.97E-126,1.35E-210,5.0998103E-317,0,0,0,0,0,0,0,0,0,0,3.257357733,4.125644359,1.31609502,9.013535244,4.138456537,3.316726946,3.748637744,2.760777898,3.624209147,1.154166491,0.731568875,0.866387586,1.590388725,0.045992514,0.010519645,2.77E-22,1.42E-63,1.42E-126,2.76E-211,1.0403817E-317,0,0,0,0,0,0,0,0,0,0,5.565567063,1.208847119,0.490197702,0.766120359,0.166402161,0.509509485,0.44486505,0.347031347,7.264611884,10.04872197,20.61134464,0.649180538,1.301405883,4.395190641,0.652021237,0.144264991,0.846616628,0.125594557,0.318030945,0.128817132,0.030565636,5.191476869,3.593893615,9.198798984,0.769924942,0.477413713,4.859831424,0.872502887,0.282524495,0.80797099,0.145057917,0.388648382,0.230811298,0.116540996,6.014858805,5.8597418,13.07256576,0.711956485,0.736000676,5.536573871,1.195006912,0.48170612,0.76755215,0.165667459,0.50422091,0.43465286,0.335262874,7.213286902,9.858887701,20.25925985,0.651328225,1.274136643,5.067029126,0.971111395,0.343733503,0.793971976,0.152167121,0.422430392,0.28621189,0.171968341,6.381874024,6.996160915,15.06942711,0.690957963,0.880610623,5.656341987,1.252188752,0.51676596,0.761766461,0.168638211,0.52624675,0.477627872,0.385129805,7.425296699,10.65290133,21.73835201,0.642649691,1.389004428,5.547778307,1.195456347,0.481536166,0.767882947,0.165466335,0.506261425,0.43499832,0.335118609,7.22477082,9.879238151,20.29761788,0.65182442,1.276378355 +UMLMON0297,L,trans-4-methyl-2-hexene,CCC(C)/C=C/C,5357249, (trans) reported,"Sandia, UML",[1],C7H14,PubChem,,83,0,1.5426,2.37961476,35.1843,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1117.887126,893.95858,641.832411,447.02213,154.429632,18.289152,0,3399.790734,4147.41404,5146.671182,4997.655438,3830.86105,2627.961878,1656.593096,559.5073998,0,146.842108,144.889944,254.780376,302.16136,310.784556,187.832648,145.87776,120.932352,0,25.74688067,32.32302034,43.45041525,45.21878842,37.07441308,24.72029948,17.36404786,8.003032287,0,3476.407621,2904.481805,5672.393611,6924.088246,7669.997889,4494.988761,3501.729441,3328.517736,0,38.02777778,44.66666667,63.33333333,73.5,65.5,43,33,18,0,48.76541633,51.7541979,31.05242017,20.78973442,14.26294247,16.55637519,7.353792,1.016064,0,161.8947969,207.370702,142.9630884,116.2245451,85.13024557,97.33192139,78.88538554,31.08374443,0,6.992481333,7.2444972,7.077232667,7.027008372,6.906323467,6.956764741,6.94656,6.718464,0,1.226041937,1.616151017,1.206955979,1.051599731,0.823875846,0.915566648,0.826859422,0.444612905,0,165.54322,145.2240902,157.5664892,161.025308,170.4443975,166.4810652,166.749021,184.917652,0,1.810846561,2.233333333,1.759259259,1.709302326,1.455555556,1.592592593,1.571428571,1,0,0.043631609,-0.004050431,-0.01570374,-0.009544832,0.006655094,-0.004167763,-0.00637116,0.011367029,0,564.9747087,-53.80711511,-80.71067267,-269.0355756,121.066009,-40.35533633,-201.7766817,242.132018,0,1050.594596,-100.0566282,-150.0849423,-500.283141,225.1274134,-75.04247115,-375.2123557,450.2548269,0,0.110674667,-0.010540444,-0.015810667,-0.052702222,0.023716,-0.007905333,-0.039526667,0.047432,0,4.696646663,-0.447299682,-0.670949523,-2.236498411,1.006424285,-0.335474762,-1.677373808,2.01284857,0,25.51225921,-2.429738973,-3.644608459,-12.14869486,5.466912688,-1.822304229,-9.111521147,10.93382538,0,3.740740741,-1.049382716,0.083333333,-1.533950617,0.759259259,0.194444444,-1.712962963,1.388888889,0,0.002077696,-2.03E-04,-4.36E-04,-2.22E-04,1.48E-04,-1.54E-04,-3.03E-04,6.32E-04,0,26.90355756,-2.690355756,-2.24196313,-6.256641292,2.690355756,-1.494642086,-9.608413413,13.45177878,0,50.0283141,-5.00283141,-4.169026175,-11.63449165,5.00283141,-2.779350783,-17.86725503,25.01415705,0,0.005270222,-5.27E-04,-4.39E-04,-0.001225633,5.27E-04,-2.93E-04,-0.001882222,0.002635111,0,0.223649841,-0.022364984,-0.018637487,-0.052011591,0.022364984,-0.012424991,-0.079874943,0.111824921,0,1.214869486,-0.121486949,-0.101239124,-0.282527788,0.121486949,-0.067492749,-0.433881959,0.607434743,0,0.178130511,-0.052469136,0.002314815,-0.03567327,0.016872428,0.007201646,-0.081569665,0.077160494,0,-0.097474127,-0.209951346,-0.106836069,0.071180284,-0.074294608,-0.146021671,0.303943261,0,-0.1,-0.083333333,-0.23255814,0.1,-0.055555556,-0.357142857,0.5,0,-0.1,-0.083333333,-0.23255814,0.1,-0.055555556,-0.357142857,0.5,0,-0.1,-0.083333333,-0.23255814,0.1,-0.055555556,-0.357142857,0.5,0,-0.1,-0.083333333,-0.23255814,0.1,-0.055555556,-0.357142857,0.5,0,-0.1,-0.083333333,-0.23255814,0.1,-0.055555556,-0.357142857,0.5,0,-0.294554455,0.01299505,-0.200264794,0.094719472,0.040429043,-0.457920792,0.433168317,0,1.403562793,1.267284199,1.159751752,0.799932717,1.150383554,0.919819368,0.003536262,0,1.5,1.19047619,1.245847176,0.714285714,0.952380952,1.224489796,0,0,1.5,1.19047619,1.245847176,0.714285714,0.952380952,1.224489796,0,0,1.5,1.19047619,1.245847176,0.714285714,0.952380952,1.224489796,0,0,1.5,1.19047619,1.245847176,0.714285714,0.952380952,1.224489796,0,0,1.5,1.19047619,1.245847176,0.714285714,0.952380952,1.224489796,0,0,1.707920792,0.934405941,1.215749482,0.731023102,0.924092409,1.52758133,0,0,27.8572348,13.9286174,21.86902474,27.8572348,3.979604971,13.92862001,3.55E-15,0.011880919,0.001697274,-3.102975155,35.3537973,5.050542472,2.495784065,27.8572348,13.9286174,21.86902474,27.8572348,3.979604971,13.92862001,3.55E-15,0.011880919,0.001697274,-3.102975155,35.3537973,5.050542472,2.495784065,27.8572348,13.9286174,21.86902474,27.8572348,3.979604971,13.92862001,3.55E-15,0.011880919,0.001697274,-3.102975155,35.3537973,5.050542472,2.495784065,27.8572348,13.9286174,21.86902474,27.8572348,3.979604971,13.92862001,3.55E-15,0.011880919,0.001697274,-3.102975155,35.3537973,5.050542472,2.495784065,27.8572348,13.9286174,21.86902474,27.8572348,3.979604971,13.92862001,3.55E-15,0.011880919,0.001697274,-3.102975155,35.3537973,5.050542472,2.495784065,27.8572348,13.9286174,21.86902474,27.8572348,3.979604971,13.92862001,3.55E-15,0.011880919,0.001697274,-3.102975155,35.3537973,5.050542472,2.495784065,34.36060687,17.09002566,27.42671686,34.23163862,4.890234088,17.09002576,-0.180555556,0.124629645,0.017804235,-1.457686148,21.49102848,3.070146926,2.147344898,0,11.89,12.11009426,-0.16325312,0.057662074,5.295743149,7.575723995,6,20,19,19,5,1,1,0,0,1,15.304898,3.529814949,3.159514953,2.444603975,2.333552793,1.809595615,1.03289552,0.757100705,0.083923071,1.898132398,1.653170638,1.249629723,1.237071133,0.788615264,0.389700101,0.26329776,0.083923071,3.553457415,3.192168256,2.50341464,2.405454588,1.885800148,1.148941861,0.893057276,0.270913902,1.841975384,1.580665567,1.134540686,1.133191398,0.665710498,0.233331616,0.096481722,0.270913902,3.659503163,3.337607498,2.75465521,2.704236987,2.204898831,1.614548893,1.422243828,0.943918427,1.681079346,1.366890904,0.802967036,0.76031856,0.264994969,0.301418868,0.484566526,0.943918427,3.570986852,3.216342908,2.546428013,2.457539916,1.941196856,1.232163773,0.989463359,0.399277246,1.806582989,1.534394173,1.064885344,1.058262671,0.58414598,0.12775141,0.016841608,0.399277246,3.712372308,3.409126846,2.871291923,2.838982085,2.349304718,1.814653975,1.643205628,1.207644823,1.632311777,1.300532342,0.69237694,0.631337262,0.12682676,0.496302336,0.701659023,1.207644823,3.573718715,3.258603748,2.608766373,2.571572866,2.00096891,1.277559265,1.113012339,0.545454545,1.822326573,1.451122122,0.990140869,0.935209229,0.48978151,0.051655513,0.154215419,0.545454545,0,0,0,2,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.204124145,0.23570226,0.136082763,0.136082763,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,5.439157589,2.881880722,2.198584704,0.843189545,0.40824829,0.272165527,0,0,0.777022513,0.480313454,0.366430784,0.210797386,0.136082763,0.136082763,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,4,2,0,2,0,0,0,0,0,0,0,0,3,0,1,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.296296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.624791667,0,0,0.984930556,0.580555556,0,0.624791667,0,0,0,0,0,0,0,0,6.502361111,0,1.21875,0,4.296296296,0,0.815925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.097222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.225625,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.057916667,0,1.21875,0,2.097222222,0,0.815925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.199074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.324097222,0,0,0.290277778,0.290277778,0,0.324097222,0,0,0,0,0,0,0,0,2.222222222,0,1.21875,0,2.199074074,0,0.815925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.83333333,1.833333333,0.324097222,2.222222222,0.225625,0.815925926,4.946188981,0.517407407,0.222222222,1.597314815,0.517407407,0.222222222,1.597314815,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.90431,0.84347,7.02591,1.1216,0.16023,2.66649,0.38093,3.27005,0.60355,0.08622,0.14395,0.02056,0.14395,0.02056,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.058053137,3.141619208,3.236857303,3.236857303,2.818541358,19.28421252,43.21911587,65.97400337,67.97400337,67.97400337,59.18936853,0.209068641,0.468557469,0.715253226,0.736936107,0.736936107,0.641698012,3.474021589,2.334264286,1.250698215,1.155460119,1.155460119,1.573776064,0.209068641,0.468557469,0.715253226,0.736936107,0.736936107,0.641698012,6.73287657,16.07411706,18.21303588,18.30901922,18.30901922,13.28922788,27.64912502,17.70101564,15.95461758,15.72677782,15.72677782,13.21688215,7,4.166666667,6,7,2,6,2.23,1.0519,0.814325285,3.639717277,1.889881575,0,2.381101578,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,2.979,6,4,3,2,0,0,0,0,0,28,2.079441542,2.197224577,1.945910149,1.945910149,1.609437912,0,0,0,0,0,3.663561646,1.357142857,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,0,126.9918924,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,98.10955045,4.671883355,12.67036528,1.810052182,0,0,0,52,4,3.851,24,1.212632308,2.109700381,2.945047067,3.609796991,4.773589099,5.80747124,6.458560155,0,0,0,73.71868539,75.38389244,70.4402197,63.86375177,91.26007194,44.69878225,6.562310465,0,0,0,277.0717728,330.1004506,366.9801458,348.1063703,506.0046327,473.1479002,200.7562332,0,0,0,8.819981422,14.99659654,20.74429647,25.04488514,33.3285754,40.41363435,43.39160389,0,0,0,2.098735329,2.721103558,3.242783802,3.239675941,4.642795749,4.922096289,2.871559191,0,0,0,173.9200089,327.6719055,470.7691294,606.7144587,785.7101429,962.6800331,1194.301779,0,0,0,2.794117317,3.877274706,5.172456363,5.537652325,7.925396226,9.305617109,6.458560155,0,0,0,0.435099075,0.573562941,0.691769811,0.698892074,0.997806892,1.076029927,0.66135656,0,0,0,352.7139376,150.3570099,10.4186157,135.795277,-57.88762401,-8.967099663,216.9186606,208.2446339,19.38571537,0.722021053,0.307787459,0.021327368,0.277978947,-0.11849853,-0.01835605,172.3040086,73.4507848,5.089589775,66.33724411,-28.27863774,-4.380510813,0.133468028,0.213527372,2.049094787,10.11972788,488.5092146,0,1,0,392.3835036,19.80867243,7.320997304,532.7165621,23.08065342,8.106475349,602.6368475,24.54866285,8.446664171,2.211674875,2.211674875,522.3562213,472.4385054,77.40531744,1.105659711,6.748324773,6.103437347,4.137881647,4.636133968,8.029392052,0.731915451,5.773496048,4.755284486,2.392515536,15.06811347,8.232490055,5.918709823,2.697236477,4.989592803,4.997222245,2.556501533,3.877267417,2.883019887,2.000757875,0.092565654,0.917237109,2.41E-10,1.22E-41,1.19E-94,2.24E-169,8.14E-266,0,0,0,0,0,0,0,0,0,0,0.484537449,4.748713305,0.195102952,5.762436496,0.974016649,0.446289492,0.610440311,0.179404196,2.115891383,0.162497884,0.095426852,0.280166999,0.03200629,6.53E-04,0.006460176,1.70E-12,8.59E-44,8.38E-97,1.58E-171,5.74E-268,0,0,0,0,0,0,0,0,0,0,1.564126655,4.749152531,0.633561657,6.416600277,1.489573821,1.473730248,1.024101872,0.729281706,2.509951888,0.558474701,0.459552023,0.785585294,0.192870865,0.006795453,0.067320014,1.77E-11,8.95E-43,8.74E-96,1.65E-170,5.98E-267,0,0,0,0,0,0,0,0,0,0,5.449709792,4.754563073,2.254425524,14.05787247,7.446374319,5.551995756,2.565133677,4.542294685,4.752169964,2.377151564,3.501469417,2.714519799,1.79497464,0.082474776,0.81724175,2.15E-10,1.09E-41,1.06E-94,2.00E-169,7.26E-266,0,0,0,0,0,0,0,0,0,0,2.305230801,4.749721896,0.937542788,7.235425465,2.130328492,2.205639292,1.311719104,1.235020528,2.838088604,0.85782206,0.830605444,1.140223259,0.374857121,0.014759044,0.146228067,3.84E-11,1.94E-42,1.90E-95,3.57E-170,1.30E-266,0,0,0,0,0,0,0,0,0,0,6.972330814,4.758317902,2.907849606,19.30879729,11.53116242,7.312475853,3.191293503,6.819254102,5.982497987,3.257785213,5.432493316,3.517295025,2.859484255,0.134996203,1.337704119,3.51E-10,1.78E-41,1.74E-94,3.27E-169,1.19E-265,0,0,0,0,0,0,0,0,0,0,3.245302336,4.125165932,1.313796314,8.393472985,3.318316868,3.038258353,1.746001962,2.005357406,3.307453369,1.319080223,1.364412174,1.693340999,0.664595897,0.027542691,0.272896991,7.16E-11,3.63E-42,3.54E-95,6.67E-170,2.42E-266,0,0,0,0,0,0,0,0,0,0,5.78940035,1.213744316,0.485087635,0.773133113,0.162086894,0.535047785,0.46432867,0.358168332,7.488232301,10.42399065,21.32086185,0.65969967,1.357544787,4.685144679,0.651806279,0.140275294,0.85538637,0.119002986,0.352089097,0.134241942,0.028920339,5.477226252,3.802449083,9.708048971,0.783079554,0.515251379,5.123034785,0.874883636,0.278014159,0.816298569,0.139402969,0.420015446,0.241852585,0.115799409,6.27593258,6.149565544,13.67157407,0.724447854,0.777667439,5.761997744,1.199831301,0.476616412,0.774623915,0.161301351,0.530039001,0.453818689,0.345611315,7.438445457,10.23154723,20.96504463,0.661935873,1.329469006,5.318526172,0.974399056,0.339023635,0.801955244,0.146924995,0.452300642,0.299882999,0.173216133,6.631948864,7.315817272,15.704711,0.702932867,0.925399774,5.875209079,1.257298203,0.511594334,0.768593796,0.164479525,0.550887064,0.497980364,0.398914519,7.644101616,11.03584013,22.45903272,0.652890694,1.447781947,5.774022359,1.200599176,0.476345913,0.774935926,0.161133327,0.53226815,0.454394869,0.345332631,7.450967447,10.25461895,21.00775273,0.662403889,1.33199565 +UMLMON0298,L,trans-5-methyl-2-hexene,C/C=C/CC(C)C,5357252,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C7H14,PubChem,,81.2,0,0.5056,0.25563136,36.8428,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1190.529654,1013.078141,815.305348,640.730667,472.25237,281.592025,84.835296,3885.475125,4800.404174,5835.09088,5418.88368,4381.00159,3541.508989,2888.518855,2068.222976,1061.424631,167.819552,166.665724,297.486168,362.252084,292.64872,230.562156,208.786376,186.21226,123.32736,29.42500648,37.33900896,50.13168111,49.55779744,40.09165568,32.40798963,27.39200101,21.03814958,12.01662072,3973.037281,3337.521256,6591.128897,8625.609131,6961.736324,5419.19096,4986.151509,4616.702266,3137.747111,41,48.5,72,80.25,65.5,50.25,43,37,24,48.76541633,52.3287937,28.34594414,19.48227194,19.4120321,19.41608082,15.74174567,10.42933426,4.713072,161.8947969,208.713225,138.9307352,104.2093015,104.3095617,107.3184542,96.28396182,76.60085098,58.96803508,6.992481333,7.246335826,7.083004,6.966386231,6.967826667,6.986732,6.959545867,6.89675037,6.85152,1.226041937,1.623435172,1.193611455,0.953034566,0.95456323,0.982060292,0.9130667,0.779190725,0.66759004,165.54322,145.1096198,156.9316404,165.8770987,165.7556268,164.2179079,166.2050503,170.9889728,174.3192839,1.708333333,2.108695652,1.714285714,1.543269231,1.55952381,1.522727273,1.433333333,1.37037037,1.333333333,0.048115405,-0.004461952,-0.022700757,0.003048331,-0.002523186,-0.004721225,0.002805121,0.001379413,-0.00163888,645.6853813,-53.80711511,-242.132018,13.45177878,-1.60E-13,-80.71067267,-80.71067267,-3.02E-13,-2.74E-13,1200.679538,-100.0566282,-450.2548269,25.01415705,1.42E-13,-150.0849423,-150.0849423,1.42E-13,8.53E-14,0.126485333,-0.010540444,-0.047432,0.002635111,-3.70E-16,-0.015810667,-0.015810667,-1.09E-15,-1.09E-15,5.367596186,-0.447299682,-2.01284857,0.111824921,-9.16E-16,-0.670949523,-0.670949523,-4.25E-15,-4.47E-15,29.15686767,-2.429738973,-10.93382538,0.607434743,1.31E-14,-3.644608459,-3.644608459,4.15E-14,4.15E-14,3.5,-0.5625,-1.125,0.25,-0.125,-0.6875,-0.125,0.4375,-0.375,0.002004809,-1.94E-04,-5.40E-04,5.86E-05,-6.01E-05,-1.43E-04,9.35E-05,5.11E-05,-9.10E-05,26.90355756,-2.339439787,-5.765048048,0.258688053,-3.81E-15,-2.44577796,-2.690355756,-1.12E-14,-1.52E-14,50.0283141,-4.350288182,-10.72035302,0.481041482,3.38E-15,-4.548028554,-5.00283141,5.26E-15,4.74E-15,0.005270222,-4.58E-04,-0.001129333,5.07E-05,-8.82E-18,-4.79E-04,-5.27E-04,-4.04E-17,-6.03E-17,0.223649841,-0.019447812,-0.047924966,0.002150479,-2.18E-17,-0.020331804,-0.022364984,-1.57E-16,-2.48E-16,1.214869486,-0.105640825,-0.260329176,0.011681437,3.12E-16,-0.110442681,-0.121486949,1.54E-15,2.31E-15,0.145833333,-0.024456522,-0.026785714,0.004807692,-0.00297619,-0.020833333,-0.004166667,0.016203704,-0.020833333,-0.096766294,-0.269598918,0.029240568,-0.029965888,-0.071362136,0.04663988,0.025483418,-0.045415253,-0.086956522,-0.214285714,0.009615385,-1.41E-16,-0.090909091,-0.1,-4.16E-16,-5.65E-16,-0.086956522,-0.214285714,0.009615385,6.76E-17,-0.090909091,-0.1,1.05E-16,9.47E-17,-0.086956522,-0.214285714,0.009615385,-1.67E-15,-0.090909091,-0.1,-7.67E-15,-1.14E-14,-0.086956522,-0.214285714,0.009615385,-9.75E-17,-0.090909091,-0.1,-7.03E-16,-1.11E-15,-0.086956522,-0.214285714,0.009615385,2.57E-16,-0.090909091,-0.1,1.27E-15,1.90E-15,-0.167701863,-0.183673469,0.032967033,-0.020408163,-0.142857143,-0.028571429,0.111111111,-0.142857143,1.425677748,1.340886292,0.979066547,1.172229138,1.149922886,0.710370311,0.605573931,0.618780145,1.5,1.334821429,0.912259615,0.924107143,1.045454545,1.00625,0.798611111,0.71875,1.5,1.334821429,0.912259615,0.924107143,1.045454545,1.00625,0.798611111,0.71875,1.5,1.334821429,0.912259615,0.924107143,1.045454545,1.00625,0.798611111,0.71875,1.5,1.334821429,0.912259615,0.924107143,1.045454545,1.00625,0.798611111,0.71875,1.5,1.334821429,0.912259615,0.924107143,1.045454545,1.00625,0.798611111,0.71875,1.571428571,1.212585034,0.947802198,1.056122449,1.045454545,0.766666667,0.669312169,1.095238095,39.81210221,19.90605111,31.45595562,39.81210221,4.976512776,19.90605111,1.07E-14,5.55E-16,6.94E-17,-28.10189013,46.15774863,5.769718579,3.065651878,39.81210221,19.90605111,31.45595562,39.81210221,4.976512776,19.90605111,1.07E-14,5.55E-16,6.94E-17,-28.10189013,46.15774863,5.769718579,3.065651878,39.81210221,19.90605111,31.45595562,39.81210221,4.976512776,19.90605111,1.07E-14,5.55E-16,6.94E-17,-28.10189013,46.15774863,5.769718579,3.065651878,39.81210221,19.90605111,31.45595562,39.81210221,4.976512776,19.90605111,1.07E-14,5.55E-16,6.94E-17,-28.10189013,46.15774863,5.769718579,3.065651878,39.81210221,19.90605111,31.45595562,39.81210221,4.976512776,19.90605111,1.07E-14,5.55E-16,6.94E-17,-28.10189013,46.15774863,5.769718579,3.065651878,39.81210221,19.90605111,31.45595562,39.81210221,4.976512776,19.90605111,1.07E-14,5.55E-16,6.94E-17,-28.10189013,46.15774863,5.769718579,3.065651878,44.16620805,21.99977069,34.61092785,44.04120805,5.505151006,21.99977069,-0.166666667,8.88E-16,1.11E-16,-27.72588722,60.06740012,7.508425015,3.276373814,0,11.89,12.11011416,-0.168912021,0.051561084,5.140065502,7.202985825,7,23,22,22,6,1,1,0,0,1,17.491312,3.531092782,3.216500786,2.869901893,2.330331032,1.922990144,1.427533299,1.250695299,0.748770527,1.895748223,1.740392016,1.461717742,1.166111283,0.88270792,0.658039775,0.561483039,0.260231199,3.554404785,3.252831123,2.911155362,2.39241487,1.997022214,1.530007634,1.36406611,0.885469075,1.8399447,1.666231592,1.378978703,1.056769624,0.761425094,0.512696334,0.41093216,0.093081751,3.65912492,3.411335732,3.091354536,2.65768536,2.308428908,1.946180134,1.815009902,1.416965586,1.680464059,1.442649629,1.12689949,0.70867222,0.367311768,0.022232919,0.103968651,0.489523771,3.571697159,3.279544313,2.941517817,2.437831855,2.050922761,1.603771955,1.445049763,0.982363188,1.804811285,1.618506105,1.325481091,0.984830156,0.681025895,0.415022076,0.309297621,0.020493383,3.711433242,3.487495056,3.177725729,2.780756788,2.450029769,2.127758149,2.007862938,1.638652831,1.632248229,1.371415381,1.045992291,0.591941884,0.232038084,0.153697611,0.291981511,0.707400829,3.608036414,3.285009086,3.041123948,2.504637278,2.133104503,1.680721406,1.526764541,1.140667771,1.775840195,1.596526627,1.206354878,0.890691598,0.564606323,0.309014501,0.192733423,0.187131169,0,0,0,2,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.983127663,3.564043477,2.04875479,1.077350269,0.569035594,0.319035594,0.166666667,0.083333333,0.747890958,0.509149068,0.341459132,0.215470054,0.142258898,0.106345198,0.083333333,0.083333333,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,6,2,0,2,0,0,0,0,0,0,0,0,2,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.534722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.581388889,0,0,1.518611111,0.580555556,0,0.581388889,0,0,0,0,0,0,0,0,4.409297052,0,5.055980726,0,4.534722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,0.225625,0.290277778,0,0.290694444,0,0,0,0,0,0,0,0,2.204648526,0,1.25,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,0.290277778,0.290277778,0,0.290694444,0,0,0,0,0,0,0,0,2.204648526,0,1.277990363,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,1.75,0.290694444,2.267361111,0.225625,1.25,5.611521259,0.25,0.267361111,1.888038549,0.25,0.267361111,1.888038549,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.25,0,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,6.78264,0.84783,7.95768,1.17504,0.14688,3.37132,0.42142,3.91421,0.54289,0.06786,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,0.75,0.918295834,1.947338796,2.855388542,2.855388542,2.855388542,2.688721876,22.03910002,46.73613111,68.52932501,68.52932501,68.52932501,64.52932501,0.200284263,0.424722949,0.622772496,0.622772496,0.622772496,0.586421781,3.666666667,2.637623705,1.729573959,1.729573959,1.729573959,1.896240625,0.200284263,0.424722949,0.622772496,0.622772496,0.622772496,0.586421781,6.73287657,15.09808847,16.01324374,16.01324374,16.01324374,14.01324374,31.59900002,21.28780565,21.38396042,21.38396042,21.38396042,24.55388542,8,7,7.2,8,2,8,2.34,1.1928,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.706,6,5,4,3,2,1,0,0,0,36,2.197224577,2.197224577,2.197224577,2.197224577,1.945910149,1.609437912,1.098612289,0,0,0,3.970291914,1.444444444,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,144.287877,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,112.1252005,4.671883355,14.83110795,1.853888494,0,0,0,84,5,4.376,26,1.214941501,2.11248199,2.885267684,3.668573271,5.053286414,6.045113584,7.269849591,8.335584153,9.589839999,0,74.61841758,68.04211168,68.68650984,91.57535101,115.2000319,111.6628137,85.83154753,42.45584281,9.743891189,0,279.3735926,317.2369097,332.9744958,450.3563015,593.406483,640.7871986,593.5099254,515.439651,298.0881357,0,8.839206964,15.01830289,20.15968254,25.75384163,35.43102792,42.25117532,50.25377425,57.22549727,64.4289948,0,2.112358211,2.667759244,2.936778582,3.944072718,5.28149231,5.913470418,5.912678146,5.755922689,4.263766619,0,174.0999243,327.4920393,474.4977037,593.7226582,820.7093283,991.0990912,1234.284908,1443.966536,1773.330696,0,2.651173223,3.746534178,4.622187711,6.172561928,7.968672312,9.014953725,10.23856893,11.39989596,9.589839999,0,0.437780654,0.563985241,0.627546911,0.84095331,1.129041871,1.271528164,1.288589207,1.275213122,0.981999616,0,385.1669824,185.2017238,10.85608586,136.1412122,-65.46144486,-8.839838081,249.0257702,250.6631687,19.69592394,0.738846975,0.355263404,0.020824698,0.261153025,-0.125571486,-0.016957029,200.7907042,96.54717629,5.659366518,70.97152952,-34.12558763,-4.60828003,0.118326526,0.182891097,1.926572084,1.616221623,521.3081946,0,1,0,456.9636291,21.37670763,7.702420272,617.1452802,24.84240891,8.513911614,686.0386189,26.19233894,8.819612845,3.29041009,3.29041009,1006.61386,983.5476635,42.03573791,1.023452037,23.94662042,23.39789219,4.407048001,5.879775082,10.51314287,0.788017862,6.513366457,5.882233671,3.06063478,23.7896382,10.47183067,1.715027722,5.245819474,7.038913691,11.61824487,0.046526686,0.728847688,10.72688491,2.889285778,10.36141851,0.001713987,4.318797249,4.381934847,0.384194597,0.010089221,0.982874822,5.08E-11,5.07E-43,9.74E-97,3.61E-172,2.58E-269,0,0,0,0,0,0.5466297,5.87609189,0.252528738,6.133094869,0.079263566,0.144232986,0.805203289,0.067584559,4.168099108,3.34E-04,0.04315909,0.819091562,0.049479463,2.312850264,1.23E-05,0.063537157,0.333684525,0.030623305,7.12E-05,0.006922468,3.58E-13,3.57E-45,6.86E-99,2.54E-174,1.82E-271,0,0,0,0,0,1.764567878,5.876502448,0.818046137,7.39432711,0.782728369,0.463020995,1.711042559,0.562884825,5.141313077,0.003430986,0.148257006,2.571978342,0.286897798,3.418342981,1.26E-04,0.401806213,1.074645752,0.099922885,7.41E-04,0.072137451,3.73E-12,3.72E-44,7.15E-98,2.65E-173,1.90E-270,0,0,0,0,0,6.148087109,5.881559412,2.886008704,21.87989643,9.334006285,1.618212205,4.973761121,6.283945579,10.96845798,0.041458779,0.674535978,10.02499494,2.594359333,9.678579564,0.001527262,3.870683539,4.103901734,0.361533248,0.00898944,0.875723771,4.53E-11,4.51E-43,8.68E-97,3.22E-172,2.30E-269,0,0,0,0,0,2.600644256,5.877034621,1.208535536,8.955762586,1.686632737,0.682406695,2.333046567,1.178345263,5.971963864,0.007437053,0.230755792,3.855301797,0.551498165,4.33679178,2.74E-04,0.791480374,1.608641407,0.148347589,0.001609016,0.156692183,8.10E-12,8.08E-44,1.55E-97,5.76E-173,4.12E-270,0,0,0,0,0,7.865831472,5.885068809,3.710280171,31.8016162,15.25421006,2.074232967,6.253364144,10.20685401,14.24403857,0.067834243,0.943944228,13.43392121,4.118737833,13.10552095,0.002499073,6.190977384,5.445658567,0.469252929,0.014713585,1.433430555,7.41E-11,7.39E-43,1.42E-96,5.27E-172,3.77E-269,0,0,0,0,0,3.743438884,5.328487252,1.805118974,11.76904362,3.440523305,0.838528961,3.521796307,2.374735066,7.164784471,0.015218413,0.392641122,5.571235502,1.005301816,5.907436808,5.60E-04,1.480373018,2.667233495,0.244024189,0.003295215,0.320938717,1.66E-11,1.65E-43,3.18E-97,1.18E-172,8.44E-270,0,0,0,0,0,10.54324969,0.781791816,0.392130348,0.899811817,0.066721887,0.599171322,0.617091059,0.499987945,11.71717185,12.68351878,27.63287456,0.849717725,1.716250325,8.68695457,0.290223028,0.08453712,0.958643572,0.032027385,0.406956815,0.086006257,0.02323772,9.061714718,3.280059003,12.55490484,0.937965359,0.516200793,9.42402672,0.485646213,0.206703166,0.931561522,0.048005947,0.478826537,0.23983083,0.138928991,10.1163761,6.625103658,17.687507,0.897342284,0.857586358,10.49727563,0.76963938,0.384515206,0.900943098,0.066055357,0.593961575,0.598237452,0.480757051,11.65143022,12.41141685,27.1693903,0.851414646,1.672956078,9.752654996,0.57266949,0.261157601,0.921236622,0.054094409,0.512759948,0.332809432,0.221770597,10.58648209,8.281584933,20.32664475,0.881854933,1.067339977,10.68718706,0.819832981,0.415971323,0.896351153,0.068760679,0.615629798,0.677958193,0.562633267,11.92299137,13.54829879,29.1159096,0.84452673,1.856221257,10.50960433,0.769659692,0.384868675,0.901018927,0.065985163,0.595351974,0.598029557,0.481641336,11.6641327,12.42985423,27.20711991,0.851528391,1.675022867 +UMLMON0299,L,trans-4-octene,CCC/C=C/CCC,5357253,[4] has 94.6 / 80.6 for RON / MON; (trans) reported,"Sandia, UML",[1],C8H16,PubChem,,74.15,0,2.9099,8.46751801,39.4599,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1663.702666,1617.230504,935.450715,263.650464,27.433728,0,0,3885.475125,4800.404174,6651.947662,7841.377869,6677.791077,3464.027594,839.2610996,0,0,167.819552,166.665724,297.181864,350.949536,501.763116,430.448256,181.398528,0,0,29.42500648,37.33900896,53.48844684,65.95972249,65.13331524,40.0513783,12.00454843,0,0,3973.037281,3337.521256,6644.791652,7387.764618,11899.69199,11077.5002,4992.776605,0,0,44.34027778,52.25,75.25,102.5,117.75,81,27,0,0,48.76541633,52.3287937,39.61196824,33.00470416,12.99237104,4.184928,1.016064,0,0,161.8947969,208.713225,158.3797062,160.0281198,92.74709829,54.98456499,31.08374443,0,0,6.992481333,7.246335826,7.075758667,7.162235429,6.968932167,6.832512,6.718464,0,0,1.226041937,1.623435172,1.273534449,1.346116786,0.904629378,0.635736163,0.444612905,0,0,165.54322,145.1096198,158.2093251,150.7707065,165.2734999,175.8333365,184.917652,0,0,1.847511574,2.27173913,1.791666667,2.091836735,1.635416667,1.285714286,1,0,0,0.039445693,-0.006904634,0.017142656,-0.027717358,-0.032484437,0.012780187,0.017460739,0,0,645.6853813,-53.80711511,282.4873543,-551.5229299,-484.264036,121.066009,363.198027,0,0,1200.679538,-100.0566282,525.297298,-1025.580439,-900.5096538,225.1274134,675.3822403,0,0,0.126485333,-0.010540444,0.055337333,-0.108039556,-0.094864,0.023716,0.071148,0,0,5.367596186,-0.447299682,2.348323331,-4.584821742,-4.025697139,1.006424285,3.019272855,0,0,29.15686767,-2.429738973,12.75612961,-24.90482447,-21.86765075,5.466912688,16.40073807,0,0,4.513599537,-2.332766686,3.137948495,-2.009247203,-3.340277778,0.045030382,2.242513021,0,0,0.001643571,-3.00E-04,4.08E-04,-5.66E-04,-4.51E-04,2.03E-04,6.47E-04,0,0,26.90355756,-2.339439787,6.725889389,-11.25557,-6.725889389,1.921682683,13.45177878,0,0,50.0283141,-4.350288182,12.50707852,-20.93021304,-12.50707852,3.573451007,25.01415705,0,0,0.005270222,-4.58E-04,0.001317556,-0.002204889,-0.001317556,3.76E-04,0.002635111,0,0,0.223649841,-0.019447812,0.05591246,-0.093567791,-0.05591246,0.015974989,0.111824921,0,0,1.214869486,-0.105640825,0.303717372,-0.508261724,-0.303717372,0.086776392,0.607434743,0,0,0.188066647,-0.101424639,0.074713059,-0.041005045,-0.046392747,7.15E-04,0.083056038,0,0,-0.182652009,0.248336452,-0.344165561,-0.27450768,0.123426473,0.393468996,0,0,-0.086956522,0.25,-0.418367347,-0.25,0.071428571,0.5,0,0,-0.086956522,0.25,-0.418367347,-0.25,0.071428571,0.5,0,0,-0.086956522,0.25,-0.418367347,-0.25,0.071428571,0.5,0,0,-0.086956522,0.25,-0.418367347,-0.25,0.071428571,0.5,0,0,-0.086956522,0.25,-0.418367347,-0.25,0.071428571,0.5,0,0,-0.539301572,0.397269056,-0.218034646,-0.24668248,0.00380061,0.441630874,0,0,1.525973743,0.832502693,1.752213595,1.190443027,0.544078768,0.003339418,0,0,1.5,0.872767857,1.672193878,1.16796875,0.616071429,0,0,0,1.5,0.872767857,1.672193878,1.16796875,0.616071429,0,0,0,1.5,0.872767857,1.672193878,1.16796875,0.616071429,0,0,0,1.5,0.872767857,1.672193878,1.16796875,0.616071429,0,0,0,1.5,0.872767857,1.672193878,1.16796875,0.616071429,0,0,0,2.003205334,0.479829293,1.463500408,1.280562857,0.727958752,0,0,0,29.58010456,14.79005228,20.83669301,29.58010456,3.69751307,14.79005338,-1.24E-14,0.003766973,4.71E-04,-4.465186896,24.42710954,3.053388693,2.55655485,29.58010456,14.79005228,20.83669301,29.58010456,3.69751307,14.79005338,-1.24E-14,0.003766973,4.71E-04,-4.465186896,24.42710954,3.053388693,2.55655485,29.58010456,14.79005228,20.83669301,29.58010456,3.69751307,14.79005338,-1.24E-14,0.003766973,4.71E-04,-4.465186896,24.42710954,3.053388693,2.55655485,29.58010456,14.79005228,20.83669301,29.58010456,3.69751307,14.79005338,-1.24E-14,0.003766973,4.71E-04,-4.465186896,24.42710954,3.053388693,2.55655485,29.58010456,14.79005228,20.83669301,29.58010456,3.69751307,14.79005338,-1.24E-14,0.003766973,4.71E-04,-4.465186896,24.42710954,3.053388693,2.55655485,29.58010456,14.79005228,20.83669301,29.58010456,3.69751307,14.79005338,-1.24E-14,0.003766973,4.71E-04,-4.465186896,24.42710954,3.053388693,2.55655485,39.19317322,19.49450328,28.45642338,39.04004822,4.880006027,19.49450328,-0.204166667,0.121542353,0.015192794,-1.685993995,22.37726821,2.797158526,2.486436505,0,11.89,12.11011416,-0.148416445,0.07517386,5.77330662,9.399002439,7,23,22,22,6,1,1,0,0,1,17.491312,3.65282218,3.072240365,2.560068045,2.333552793,2.333552793,1.796336516,0.84587204,0.083923071,1.942153747,1.608613929,1.359884664,1.249629723,1.249629723,0.733794725,0.052800202,0.083923071,3.66979288,3.107711003,2.619775242,2.405454588,2.405454588,1.871255375,0.940636381,0.270913902,1.894671925,1.530452766,1.255169952,1.134540686,1.134540686,0.617632103,0.172411472,0.270913902,3.748610711,3.266249538,2.873771832,2.704236987,2.704236987,2.180249753,1.325389098,0.943918427,1.765196653,1.29819381,0.92248453,0.76031856,0.76031856,0.237727527,0.605005295,0.943918427,3.682515018,3.134015369,2.663370632,2.457539916,2.457539916,1.925421197,1.008966253,0.399277246,1.8653355,1.480383738,1.186349526,1.058262671,1.058262671,0.540572622,0.255461898,0.399277246,3.789583403,3.344237336,2.991339789,2.838982085,2.838982085,2.318068391,1.490786612,1.207644823,1.727974242,1.225797286,0.810931717,0.631337262,0.631337262,0.105277946,0.766544952,1.207644823,3.64531021,3.175145602,2.751666169,2.557155175,2.557155175,2.001678932,1.006295702,0.536312849,1.894305798,1.413681686,1.08460057,0.948216627,0.948216627,0.453857755,0.266349195,0.536312849,0,0,0,1,1,5,0,0,1,0,0,0,0,0,0,0,0,0,0,1.570149549,0.288675135,0.612372436,0.204124145,1.394337567,0.25,0.433012702,0.144337567,2.29489442,1.717544151,0.816496581,1.760362971,1.260362971,0.577350269,6.78445705,3.481380475,3.675321265,2.090770275,0.612372436,0,0,0,0.848057131,0.497340068,0.367532126,0.261346284,0.204124145,0,0,0,6.577350269,3.116025404,3.221687836,1.616025404,0.433012702,0,0,0,0.822168784,0.445146486,0.322168784,0.202003175,0.144337567,0,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,43,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,2,0,1,0,0,0,0,0,0,0,0,5,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.622685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.285069444,0,0,0.730208333,0.580555556,0,0.285069444,0,0,0,0,0,0,0,0,10.92418981,0,0,0,2.166666667,0,0,0,0,1.456018519,0,0,0.369791667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.456018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.285069444,0,0,0.243402778,0.290277778,0,0.285069444,0,0,0,0,0,0,0,0,2.083912037,0,0,0,2.166666667,0,0,0,0,1.456018519,0,0,0.369791667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.285069444,0,0,0.243402778,0.290277778,0,0.285069444,0,0,0,0,0,0,0,0,2.224537037,0,0,0,2.166666667,0,0,0,0,1.456018519,0,0,0.369791667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.91666667,1.864583333,0.290277778,2.224537037,0.013888889,0.369791667,5.211217014,0.880208333,0.224537037,2.181712963,0.880208333,0.224537037,2.181712963,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.625,0.125,0.125,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,8.66385,1.08298,9.87351,1.20965,0.15121,2.89443,0.3618,3.48137,0.58695,0.07337,0.43263,0.05408,0.43263,0.05408,0,7,0,0,0,0,0,0,0.75,0.918295834,1.861702233,2.551879687,2.801879687,2.610839583,2.037719271,22.03910002,44.68085358,61.2451125,67.2451125,62.66015,48.90526249,0.200284263,0.406045247,0.556575912,0.611101985,0.569435319,0.444435319,3.666666667,2.723260268,2.033082813,1.783082813,1.974122918,2.54724323,0.200284263,0.406045247,0.556575912,0.611101985,0.569435319,0.444435319,6.73287657,15.5820524,17.1936451,17.44560135,15.1531201,8.275676353,31.59900002,20.32164859,20.44799479,19.69799479,18.55175416,15.11303229,8,2.52,2.8125,8,2,5,2.34,1.1928,3.453222023,2.251600064,2.871745887,3.494135594,0,1,0.5,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.123,0.124,0.163,3.271,10,8,3,0,0,0,0,0,0,36,2.197224577,2.63905733,2.63905733,1.945910149,0,0,0,0,0,0,3.891820298,1.333333333,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,6,0.857142857,0,2,4,1,3.5,1.555555556,0.375,0,0,0,0,0,0,0,0.5,0.155555556,0.046875,0,0,0,0,0,0,0,0.702430556,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,0,144.287877,4,3.555348061,4.262679877,5.093750201,5.837730447,6.665683718,7.418780883,8.245121966,9.000976444,9.826552511,74.90662411,2.708050201,0,4.007333185,0,5.493061443,0,7.041411664,0,8.611593867,8.847216104,112.1252005,4.671883355,14.27506506,1.784383133,0,0,0,63,8,3.752,34,1.219504076,2.113885502,3.065822133,3.660022115,4.282626678,5.452809775,0,0,0,0,75.29254335,98.14613684,108.423941,54.07112787,20.44262034,5.540403711,0,0,0,0,281.3430932,375.6062221,508.7418787,359.3143299,254.4862236,169.4937455,0,0,0,0,8.873662043,15.04842235,21.98894649,25.55644907,29.35179833,36.63450617,0,0,0,0,2.125284466,2.940117378,4.229813569,3.43594076,2.874617272,2.424389594,0,0,0,0,174.6752635,327.9074664,460.1721751,601.2351042,745.803958,1008.320781,0,0,0,0,2.841192301,4.034065169,6.518042277,6.126996956,5.733457326,5.452809775,0,0,0,0,0.440385927,0.614599794,0.891379979,0.742511116,0.638175269,0.558367721,0,0,0,0,326.6099206,142.0546879,8.723676236,62.3941245,-27.13750355,-3.5407405,264.2157961,169.1921914,12.26441674,0.839605461,0.365175349,0.02242567,0.160394539,-0.069761494,-0.009102066,127.0525803,55.25984821,3.393545344,24.27156682,-10.55659865,-1.377362377,0.13081103,0.201459561,1.817311369,2.388533084,389.0040451,0,1,0,447.866765,21.16286287,7.650966116,608.0975391,24.6596338,8.472100169,797.9250313,28.24756682,9.275144759,1.303240263,1.295616476,425.9921921,367.7699151,175.765687,1.158311691,2.423636828,2.092387436,4.113898804,3.523245238,6.833024193,0.939412028,6.53283826,5.404102755,1.218080969,14.64081626,10.50743025,14.88978242,5.332549026,14.88415573,8.116607205,5.841798631,3.710614121,0.020844439,0.061538516,4.79E-20,7.18E-60,2.08E-121,1.16E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0.548259358,5.390718223,0.096205252,8.665776788,2.419051481,1.067115634,1.061103762,2.333316211,0.72164778,0.173274843,0.154539672,1.47E-04,4.33E-04,3.37E-22,5.06E-62,1.46E-123,8.17E-207,8.80081178119E-312,0,0,0,0,0,0,0,0,0,0,0,0,1.769839499,5.391612752,0.314528921,9.211491088,3.524641627,3.457059083,1.777068459,3.671747864,1.489715953,0.768223931,0.60223668,0.001529864,0.004516579,3.51E-21,5.27E-61,1.53E-122,8.52E-206,9.171124422152E-311,0,0,0,0,0,0,0,0,0,0,0,0,6.166466628,5.402633303,1.145624051,14.03661854,9.819313826,13.8908979,5.015891924,13.68298191,7.40161008,5.295917128,3.394505187,0.01857202,0.05482971,4.27E-20,6.40E-60,1.85E-121,1.03E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,2.608415969,5.392772421,0.467570928,9.786207242,4.445541209,5.225818701,2.314854131,4.953810508,2.237107891,1.343542139,0.992162141,0.003323069,0.009810613,7.63E-21,1.15E-60,3.31E-122,1.85E-205,1.99209077513435E-310,0,0,0,0,0,0,0,0,0,0,0,0,7.889347508,5.410281569,1.490644246,17.14858524,13.27429776,18.76154835,6.567620375,19.82299683,11.0617224,8.088741071,4.992758804,0.030399655,0.089748143,6.98E-20,1.05E-59,3.03E-121,1.69E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,3.758101243,4.474818122,0.592228153,10.75499917,5.849594458,7.244196817,2.880414883,7.067373652,3.392950161,2.174625827,1.547693568,0.005995517,0.017700414,1.38E-20,2.07E-60,5.98E-122,3.34E-205,3.59415172694184E-310,0,0,0,0,0,0,0,0,0,0,0,0,3.694457257,1.760654424,0.998219189,0.57248843,0.272828786,0.503043108,0.564906109,0.372890396,6.45333087,11.95005967,24.89646948,0.358732645,1.440839614,2.757746341,1.044226177,0.524078538,0.637474294,0.241380918,0.277952365,0.197337402,0.102783196,4.326051055,4.872243116,10.70748886,0.456211441,0.578072963,3.129561909,1.328983825,0.712391814,0.60522137,0.257010225,0.359189699,0.320686787,0.189918474,5.170937549,7.335368641,15.46924145,0.407832056,0.86979496,3.67124663,1.742937983,0.986480802,0.573572651,0.272305748,0.496644736,0.553526136,0.36417208,6.400665415,11.73974438,24.45265895,0.360358976,1.414342951,3.295391618,1.455815824,0.796330793,0.594027743,0.262425559,0.398856798,0.385287311,0.237310191,5.547538234,8.581016049,17.94893793,0.391041615,1.021454301,3.767129384,1.816114019,1.034968943,0.569206485,0.274411567,0.523347374,0.601280312,0.400851955,6.618212347,12.62002001,26.31901015,0.353809727,1.52547964,3.675994336,1.744909072,0.987311098,0.573637841,0.27229255,0.49787047,0.55473643,0.364785366,6.408214506,11.76639396,24.50749421,0.360456762,1.417392266 +UMLMON0300,L,"3,4,4-trimethyl-2-pentene",C/C=C(\C)/C(C)(C)C,5357254,RON from [9],UML,"[1], [9]",C8H16,PubChem,,85.8,0,1.0596,1.12275216,37.8485,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1311.595663,1068.533261,821.401732,651.821691,475.300562,160.526016,18.289152,3885.475125,4800.404174,6060.218294,5837.148039,4567.504057,3625.161861,2981.770088,1843.095563,559.5073998,167.819552,166.665724,297.509884,364.247924,332.959504,230.961324,228.941768,186.188544,120.932352,29.42500648,37.33900896,51.13810539,52.90245447,42.75933311,33.07692103,28.72583972,20.03172529,8.003032287,3973.037281,3337.521256,6596.59581,8466.633609,8071.242236,5387.395856,5540.904465,4611.235353,3328.517736,42.27777778,49.58333333,74,87.83333333,71.66666667,50.83333333,48,39,18,48.76541633,52.3287937,31.22846817,20.54871656,17.11253608,19.75217245,14.40304733,5.945408,1.016064,161.8947969,208.713225,144.2909118,112.2528469,95.15633452,109.8533897,90.35666933,68.26279863,31.08374443,6.992481333,7.246335826,7.083568667,7.004767769,6.936656333,6.998828,6.937629333,6.895872,6.718464,1.226041937,1.623435172,1.217573938,1.017354894,0.89081944,1.00233094,0.870479992,0.741915752,0.444612905,165.54322,145.1096198,157.061805,162.8198771,168.1508799,163.2544199,167.9061959,170.7864946,184.917652,1.761574074,2.155797101,1.761904762,1.689102564,1.493055556,1.54040404,1.454545455,1.444444444,1,0.046855371,-0.006987677,-0.009410713,-0.011124572,-0.002398722,3.01E-05,0.004244597,-0.007515238,0.009734567,645.6853813,-53.80711511,-121.066009,-188.3249029,80.71067267,-121.066009,-40.35533633,-121.066009,242.132018,1200.679538,-100.0566282,-225.1274134,-350.1981987,150.0849423,-225.1274134,-75.04247115,-225.1274134,450.2548269,0.126485333,-0.010540444,-0.023716,-0.036891556,0.015810667,-0.023716,-0.007905333,-0.023716,0.047432,5.367596186,-0.447299682,-1.006424285,-1.565548888,0.670949523,-1.006424285,-0.335474762,-1.006424285,2.01284857,29.15686767,-2.429738973,-5.466912688,-8.504086404,3.644608459,-5.466912688,-1.822304229,-5.466912688,10.93382538,3.939814815,-1.305748457,0.58912037,-1.200617284,-0.164351852,-0.722800926,0.867476852,-1.286458333,1.253472222,0.001952307,-3.04E-04,-2.24E-04,-2.14E-04,-5.00E-05,9.11E-07,1.29E-04,-2.78E-04,5.41E-04,26.90355756,-2.339439787,-2.882524024,-3.621632748,1.681472347,-3.668666939,-1.22288898,-4.483926259,13.45177878,50.0283141,-4.350288182,-5.36017651,-6.734580744,3.126769631,-6.822042831,-2.274014277,-8.33805235,25.01415705,0.005270222,-4.58E-04,-5.65E-04,-7.09E-04,3.29E-04,-7.19E-04,-2.40E-04,-8.78E-04,0.002635111,0.223649841,-0.019447812,-0.023962483,-0.030106709,0.013978115,-0.030497706,-0.010165902,-0.037274974,0.111824921,1.214869486,-0.105640825,-0.130164588,-0.163540123,0.075929343,-0.165664021,-0.05522134,-0.202478248,0.607434743,0.164158951,-0.056771672,0.014026675,-0.023088794,-0.003423997,-0.021903058,0.026287177,-0.047646605,0.069637346,-0.155616935,-0.114769132,-0.109580131,-0.025597087,4.67E-04,0.065883157,-0.142570882,0.277010346,-0.086956522,-0.107142857,-0.134615385,0.0625,-0.136363636,-0.045454545,-0.166666667,0.5,-0.086956522,-0.107142857,-0.134615385,0.0625,-0.136363636,-0.045454545,-0.166666667,0.5,-0.086956522,-0.107142857,-0.134615385,0.0625,-0.136363636,-0.045454545,-0.166666667,0.5,-0.086956522,-0.107142857,-0.134615385,0.0625,-0.136363636,-0.045454545,-0.166666667,0.5,-0.086956522,-0.107142857,-0.134615385,0.0625,-0.136363636,-0.045454545,-0.166666667,0.5,-0.345833546,0.085445694,-0.14064901,-0.020857814,-0.133425916,0.160132464,-0.290246769,0.424206816,1.481931707,1.154866055,1.270692602,1.097814821,0.966844837,0.640340418,0.800061662,7.17E-05,1.5,1.232142857,1.119591346,0.80859375,1.110795455,0.914772727,0.958333333,0,1.5,1.232142857,1.119591346,0.80859375,1.110795455,0.914772727,0.958333333,0,1.5,1.232142857,1.119591346,0.80859375,1.110795455,0.914772727,0.958333333,0,1.5,1.232142857,1.119591346,0.80859375,1.110795455,0.914772727,0.958333333,0,1.5,1.232142857,1.119591346,0.80859375,1.110795455,0.914772727,0.958333333,0,1.769682726,0.901544402,1.270790021,0.927364865,0.965601966,0.604422604,1.297297297,0,37.09149965,18.54574982,28.95442261,37.09149965,4.636437456,18.54574985,-7.11E-15,0.096821184,0.012102648,-1.867911569,70.72803654,8.841004568,3.407073641,37.09149965,18.54574982,28.95442261,37.09149965,4.636437456,18.54574985,-7.11E-15,0.096821184,0.012102648,-1.867911569,70.72803654,8.841004568,3.407073641,37.09149965,18.54574982,28.95442261,37.09149965,4.636437456,18.54574985,-7.11E-15,0.096821184,0.012102648,-1.867911569,70.72803654,8.841004568,3.407073641,37.09149965,18.54574982,28.95442261,37.09149965,4.636437456,18.54574985,-7.11E-15,0.096821184,0.012102648,-1.867911569,70.72803654,8.841004568,3.407073641,37.09149965,18.54574982,28.95442261,37.09149965,4.636437456,18.54574985,-7.11E-15,0.096821184,0.012102648,-1.867911569,70.72803654,8.841004568,3.407073641,37.09149965,18.54574982,28.95442261,37.09149965,4.636437456,18.54574985,-7.11E-15,0.096821184,0.012102648,-1.867911569,70.72803654,8.841004568,3.407073641,43.18662854,21.48741149,33.39890947,43.02777438,5.378471797,21.4874115,-0.211805556,0.114946229,0.014368279,-1.730632668,44.28886351,5.536107939,3.032586606,0,11.89,12.11011416,-0.15495052,0.067269581,5.169181941,7.7384131,7,23,22,22,6,1,1,0,0,1,17.491312,3.557931948,3.215626508,2.757793378,2.333552793,2.103665929,1.434261437,1.13819786,0.703891815,1.905494399,1.732688804,1.38039848,1.249629723,0.98514962,0.642837259,0.437402881,0.239935937,3.579855395,3.251111141,2.801046473,2.405454588,2.170503705,1.532875831,1.248992929,0.843968245,1.851644675,1.658927954,1.293476445,1.134540686,0.872169478,0.498360474,0.286245753,0.071131628,3.678806976,3.40667277,2.990605708,2.704236987,2.453861513,1.938334766,1.692679144,1.386065256,1.699071004,1.437536405,1.028056381,0.76031856,0.507850768,0.013103715,0.227094845,0.518926281,3.596141152,3.277245194,2.832925839,2.457539916,2.21928824,1.604198672,1.328320651,0.943086542,1.817862235,1.61153621,1.237209358,1.058262671,0.797473648,0.401400221,0.184460032,0.043676133,3.728542862,3.481804456,3.081612082,2.838982085,2.583904049,2.117104612,1.883891039,1.61115243,1.653333987,1.367385901,0.942826128,0.631337262,0.384011185,0.159585447,0.413024629,0.740449356,3.614563434,3.273078764,2.926764837,2.591598066,2.28359558,1.664458627,1.391234133,1.074243835,1.801490145,1.595947827,1.131181397,0.917179462,0.698835067,0.311705363,0.088798639,0.190716901,0,0,0,2,0,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.333333333,0,0,0,0.288675135,0.204124145,0.144337567,0.19245009,0.136082763,0.096225045,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,6.14626437,3.436722277,2.460844421,0.976324744,0.535057239,0.288675135,0.19245009,0,0.768283046,0.490960325,0.351549203,0.195264949,0.13376431,0.096225045,0.096225045,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,6,2,0,2,0,0,0,0,0,0,0,0,3,0,2,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.508101852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.563611111,0,0,1.536388889,0.580555556,0,0.563611111,0,0,0,0,0,0,0,0,6.600185185,0,2.501388889,0,4.508101852,0,0.723657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.253472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.278541667,0,0,0.225625,0.290277778,0,0.278541667,0,0,0,0,0,0,0,0,2.199074074,0,1.234305556,0,2.253472222,0,0.723657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.285069444,0,0,0.290277778,0.290277778,0,0.285069444,0,0,0,0,0,0,0,0,2.200555556,0,1.267083333,0,2.25462963,0,0.723657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,1.791666667,0.290277778,2.25462963,0.225625,0.723657407,5.626772361,0.609675926,0.25462963,2.216574074,0.609675926,0.25462963,2.216574074,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.375,0.125,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.17167,0.89646,8.40872,1.23706,0.15463,3.25403,0.40675,3.77005,0.51602,0.0645,0.14395,0.01799,0.14395,0.01799,0,7,0,0,0,0,0,0,0.75,0.918295834,1.999218484,3.062907292,3.490601563,3.375814584,2.831015105,22.03910002,47.98124361,73.509775,83.77443751,81.01955001,67.94436251,0.200284263,0.436038132,0.668033226,0.761315182,0.73627965,0.617456545,3.666666667,2.585744017,1.522055209,1.094360938,1.209147917,1.753947396,0.200284263,0.436038132,0.668033226,0.761315182,0.73627965,0.617456545,6.73287657,15.72064472,18.97043007,19.40147106,18.02402731,15.37501851,31.59900002,20.72164002,17.22167917,16.35551406,18.37431094,18.07255677,8,5.142857143,7.2,8,2,7,2.34,1.1928,0.721124785,4.146039495,1.754410643,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,3.478,7,5,4,3,2,0,0,0,0,36,2.197224577,2.302585093,2.302585093,2.197224577,1.945910149,1.609437912,0,0,0,0,3.970291914,1.444444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,0,144.287877,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,112.1252005,4.671883355,14.66595917,1.833244896,0,0,0,79,5,4.311,28,1.215946755,2.114499011,2.917941684,3.635562545,4.872818092,5.807511068,6.809988528,7.774649382,0,0,74.76726526,75.51624541,70.17903159,78.28050217,111.8190051,96.57694989,43.57432826,7.89954135,0,0,279.808273,332.4504555,354.9202649,397.3576633,584.7778027,568.8487423,488.1459702,241.6652144,0,0,8.846799338,15.0412302,20.49422665,25.35743011,34.2363686,40.41921461,47.07188097,52.23370199,0,0,2.11521026,2.742266152,3.130123525,3.569235723,5.201455743,5.346332329,5.238573383,3.456709446,0,0,174.2266227,327.5587622,471.2714664,601.0145473,785.693288,965.4245737,1154.206821,1437.669909,0,0,2.701447037,3.890991659,5.085353861,5.741363871,7.78732822,8.760442876,10.11490826,7.774649382,0,0,0.438355445,0.578008474,0.667994824,0.765032698,1.111281901,1.153791651,1.152099781,0.796124097,0,0,373.1547102,176.3168405,10.17889062,84.18803996,-39.77912863,-5.490252042,288.9666702,216.0959692,15.66914266,0.815919155,0.385524512,0.022256591,0.184080845,-0.086978811,-0.012004677,170.6596014,80.63722875,4.655241829,38.50278972,-18.19269609,-2.510926968,0.120963639,0.185596294,1.81965515,1.149840376,457.3427502,0,1,0,454.9370545,21.32925349,7.691016986,615.130723,24.80182903,8.504637483,713.8574978,26.71811179,8.937248668,2.005106538,2.005106538,811.0272269,760.2260076,83.66719148,1.066823838,9.693491708,9.086309629,4.567625688,4.640276383,9.278210892,0.999495316,6.518299806,5.816393892,2.635278039,23.00701496,9.291236274,5.519219151,5.29751484,8.646657713,10.950804,2.994860365,2.712706674,6.776255767,1.294208004,6.012014212,0.536787645,3.970203632,4.35E-04,0.007306135,2.37E-23,1.48E-65,1.78E-129,4.14E-215,1.9E-322,0,0,0,0,0,0,0,0.547042814,5.809315416,0.216564082,7.157556945,0.71939085,0.393168021,0.831443782,0.999321256,3.259194127,0.257106359,0.098900953,0.457998281,0.046444579,1.163255278,0.003870614,0.08902244,3.06E-06,5.15E-05,1.67E-25,1.04E-67,1.26E-131,2.92E-217,0,0,0,0,0,0,0,0,1.765903669,5.809788565,0.702124047,8.325324301,1.393139641,1.31323666,1.728071161,1.645557274,4.257740446,0.802062851,0.401111017,1.42172313,0.190693113,1.774905838,0.039628338,0.448265359,3.19E-05,5.36E-04,1.74E-24,1.09E-66,1.31E-130,3.04E-216,1.5E-323,0,0,0,0,0,0,0,6.152743732,5.815616791,2.484322508,21.30532897,8.385839419,5.160736652,5.018801166,7.854885577,10.27776015,2.822347638,2.470856801,6.274140526,1.178748479,5.581422889,0.47833008,3.579423369,3.88E-04,0.006509635,2.11E-23,1.32E-65,1.59E-129,3.69E-215,1.7E-322,0,0,0,0,0,0,0,2.602613435,5.810401891,1.037865977,9.740827176,2.175118181,1.982326424,2.348029461,2.360785773,5.112894016,1.180278905,0.677253461,2.18007614,0.322509086,2.307045889,0.085856639,0.82343773,6.94E-05,0.001164761,3.77E-24,2.36E-66,2.84E-130,6.60E-216,3.0E-323,0,0,0,0,0,0,0,7.871789411,5.819661462,3.197472531,30.13803466,13.07569533,6.897237155,6.335488426,11.94566577,13.67233018,3.639171587,3.701084888,8.76629521,1.766066367,7.758167436,0.78256086,5.591008184,6.35E-04,0.010655312,3.45E-23,2.16E-65,2.60E-129,6.04E-215,2.7E-322,0,0,0,0,0,0,0,3.738031562,4.94736216,1.486124804,12.54126114,3.700884142,3.019411961,3.294068458,3.469588273,6.021104042,1.53818435,1.049678573,3.036068604,0.496235807,3.47480311,0.167584527,1.484213418,1.36E-04,0.002276005,7.37E-24,4.61E-66,5.55E-130,1.29E-215,5.9E-323,0,0,0,0,0,0,0,8.140840108,1.166773761,0.496710938,0.830331539,0.119006029,0.608013827,0.481436862,0.333649944,9.804324807,14.12171225,28.64405515,0.745497309,1.423100633,6.634611525,0.600281064,0.147832074,0.898667068,0.081308879,0.403641296,0.124314412,0.02867857,7.382724663,5.052180838,13.0236662,0.848000602,0.556634278,7.232781152,0.82462072,0.287103766,0.866771678,0.098821998,0.479800566,0.237097805,0.10991565,8.344505638,8.27761162,18.33449059,0.800157517,0.826814021,8.103545009,1.15269592,0.488131882,0.831612785,0.118293495,0.602448768,0.46964387,0.322088653,9.744372811,13.85918957,28.16316483,0.747419177,1.394181291,7.499435081,0.924940766,0.348835158,0.85481075,0.105427849,0.515875151,0.29962901,0.16309365,8.773211005,9.875251704,21.06816937,0.782216125,0.978597812,8.257602527,1.210859011,0.523556964,0.82641986,0.121182623,0.625602485,0.519337276,0.371154588,9.992018502,14.95607141,30.18302732,0.739629789,1.516094349,8.110335872,1.15443989,0.488131574,0.831581352,0.118368795,0.603464831,0.470964205,0.322003083,9.752907337,13.88532483,28.20855697,0.747372029,1.396432119 +UMLMON0301,L,2-methyl-3-heptene,CCC/C=C/C(C)C,5357255,(trans) reported,UML,[1],C8H16,PubChem,,80.4,0,0.25,0.0625,32.391,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,996.821117,816.321412,629.639643,458.113154,278.543833,84.835296,9.144576,3399.790734,4147.41404,4921.543769,4412.085335,3457.856117,2711.614749,1974.971743,1061.424631,279.7536999,146.842108,144.889944,254.75666,299.367184,230.162988,188.231816,166.056868,123.32736,60.466176,25.74688067,32.32302034,42.44399096,40.53626858,31.73905822,25.38923089,19.70431086,12.01662072,4.001516144,3476.407621,2904.481805,5666.926698,7146.653976,5450.986064,4463.193657,4061.94931,3137.747111,1664.258868,36.75,43.25,63,67.25,51.75,40.5,34,24,9,48.76541633,51.7541979,27.68947547,18.98421888,19.07998918,16.96715385,11.60599304,4.713072,1.016064,161.8947969,207.370702,136.7095491,102.6066357,104.7835187,100.4301759,82.29048929,58.96803508,31.08374443,6.992481333,7.2444972,7.076573889,6.962027535,6.974636,6.971548741,6.919036167,6.85152,6.718464,1.226041937,1.616151017,1.178999749,0.942703921,0.961789643,0.940341885,0.821012953,0.66759004,0.444612905,165.54322,145.2240902,157.4146305,166.2012552,165.1813959,165.3034688,169.2478879,174.3192839,184.917652,1.75,2.1625,1.75,1.563953488,1.568181818,1.5,1.416666667,1.333333333,1,0.04378992,-0.00432406,-0.018952206,-1.71E-04,-0.003470449,-8.67E-04,0.00196673,-8.91E-04,0.004814006,564.9747087,-53.80711511,-201.7766817,13.45177878,-40.35533633,-80.71067267,-40.35533633,-2.74E-13,121.066009,1050.594596,-100.0566282,-375.2123557,25.01415705,-75.04247115,-150.0849423,-75.04247115,8.53E-14,225.1274134,0.110674667,-0.010540444,-0.039526667,0.002635111,-0.007905333,-0.015810667,-0.007905333,-6.81E-16,0.023716,4.696646663,-0.447299682,-1.677373808,0.111824921,-0.335474762,-0.670949523,-0.335474762,-3.25E-15,1.006424285,25.51225921,-2.429738973,-9.111521147,0.607434743,-1.822304229,-3.644608459,-1.822304229,-8.66E-15,5.466912688,3.30952381,-0.616213152,-0.816326531,0.068594104,-0.43877551,-0.421768707,0.289115646,-0.336734694,0.617346939,0.002085234,-2.16E-04,-5.26E-04,-3.97E-06,-1.05E-04,-3.21E-05,8.19E-05,-4.95E-05,5.35E-04,26.90355756,-2.690355756,-5.604907824,0.312832065,-1.22288898,-2.989284173,-1.681472347,-1.52E-14,13.45177878,50.0283141,-5.00283141,-10.42256544,0.581724583,-2.274014277,-5.558701566,-3.126769631,4.74E-15,25.01415705,0.005270222,-5.27E-04,-0.001097963,6.13E-05,-2.40E-04,-5.86E-04,-3.29E-04,-3.78E-17,0.002635111,0.223649841,-0.022364984,-0.046593717,0.00260058,-0.010165902,-0.024849982,-0.013978115,-1.80E-16,0.111824921,1.214869486,-0.121486949,-0.25309781,0.014126389,-0.05522134,-0.134985498,-0.075929343,-4.81E-16,0.607434743,0.157596372,-0.030810658,-0.022675737,0.001595212,-0.013296228,-0.015621063,0.012046485,-0.018707483,0.068594104,-0.103682831,-0.252465715,-0.001905311,-0.050433247,-0.015405572,0.039298749,-0.023732655,0.256512905,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,-5.65E-16,0.5,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,9.47E-17,0.5,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,-7.18E-15,0.5,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,-8.07E-16,0.5,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,-3.96E-16,0.5,-0.195503597,-0.143884892,0.010122135,-0.084368869,-0.099120703,0.076438849,-0.118705036,0.435251799,1.41336428,1.315405048,1.048229969,1.169634258,0.936844601,0.627285096,0.575361235,1.83E-05,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.586330935,1.175059952,0.966203781,1.052975801,0.923261391,0.692446043,1.007194245,0,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,33.17168758,16.51441522,26.3014442,33.06964677,4.724235253,16.51441542,-0.142857143,0.116346709,0.016620958,-1.505826475,25.42955888,3.632794125,2.265138563,0,11.89,12.11009426,-0.160379045,0.06103321,5.129862217,7.044812138,6,20,19,19,5,1,1,0,0,1,15.304898,3.512714711,3.139583825,2.695830913,2.127646664,1.603892564,1.293866965,0.750445195,0.083923071,1.881411882,1.688132795,1.36461443,1.024195326,0.737504923,0.580196965,0.260463024,0.083923071,3.536210819,3.177688002,2.74371253,2.195568475,1.695912636,1.404117954,0.886838218,0.270913902,1.824885,1.610768069,1.273564199,0.909034399,0.600543781,0.431493138,0.093362734,0.270913902,3.641919659,3.343968271,2.950852102,2.483468626,2.074126321,1.844897189,1.417618328,0.943918427,1.663488105,1.376801627,0.991273819,0.538339161,0.144047724,0.075582297,0.488946631,0.943918427,3.553648911,3.205711777,2.778854815,2.24513635,1.762410262,1.483022975,0.983553245,0.399277246,1.789305984,1.560910539,1.214285564,0.832954886,0.508909607,0.331203095,0.020172058,0.399277246,3.694803858,3.423801707,3.048807729,2.615655102,2.241467126,2.034313152,1.639142064,1.207644823,1.614766388,1.302097472,0.899047957,0.41249167,0.017322926,0.259974192,0.70662939,1.207644823,3.585030126,3.220752873,2.875375255,2.31583412,1.831438012,1.551166707,1.128381486,0.56,1.765443383,1.521948933,1.105288947,0.730438526,0.411032046,0.227901289,0.174074546,0.56,0,0,0,2,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,5.276020882,3.064043477,1.668327946,0.857710728,0.451184464,0.23570226,0.11785113,0,0.753717269,0.510673913,0.333665589,0.214427682,0.150394821,0.11785113,0.11785113,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,2,0,3,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.447916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.607013889,0,0,1.292986111,0.580555556,0,0.607013889,0,0,0,0,0,0,0,0,4.353333333,0,3.69875,0,4.447916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.211805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.225625,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.158888889,0,1.180555556,0,2.211805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.290277778,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.194444444,0,1.274305556,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.5,1.785714286,0.306319444,2.236111111,0.225625,1.180555556,4.908854167,0.319444444,0.236111111,1.6025,0.319444444,0.236111111,1.6025,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.28571,0,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.49934,0.78562,6.60412,1.10478,0.15783,2.87132,0.41019,3.41421,0.54289,0.07756,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.962815041,2.987090042,3.463280518,3.232101805,2.624632976,19.28421252,41.21911587,62.72889087,72.72889087,67.8741379,55.1172925,0.209068641,0.446874589,0.680071533,0.788485937,0.735853422,0.597550842,3.474021589,2.429502381,1.405227381,0.929036905,1.160215618,1.767684446,0.209068641,0.446874589,0.680071533,0.788485937,0.735853422,0.597550842,6.73287657,14.93125992,18.05729752,18.5372142,17.2573527,13.9508934,27.64912502,19.06805416,16.36502553,15.14260039,16.89724055,17.32556464,7,6,6,7,2,7,2.23,1.0519,0.166666667,3.838519496,0,0,5.676240019,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.207,5,4,3,2,1,0,0,0,0,28,2.079441542,2.079441542,2.079441542,1.945910149,1.609437912,1.098612289,0,0,0,0,3.713572067,1.428571429,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,0,126.9918924,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,98.10955045,4.671883355,12.83378878,1.833398397,0,0,0,56,4,3.807,22,1.211410561,2.106450707,2.886382006,3.689904143,5.043725113,5.985425106,7.225190584,8.220554693,0,0,73.50680381,66.40462893,66.85854202,89.78804091,99.8426227,81.27108351,36.37741479,8.352609684,0,0,276.4711003,311.663402,327.6617551,452.1964747,550.7351455,538.8891663,443.5881246,255.5256212,0,0,8.810654816,14.96264505,20.15455304,25.9254002,35.27664584,41.56934098,49.58719954,55.22950077,0,0,2.094876351,2.629990444,2.904261368,3.980070241,5.0230661,5.235462923,4.963666822,3.654964702,0,0,173.7721959,327.5084849,475.6183435,595.2586066,825.3370096,1001.053555,1252.826102,1520.125672,0,0,2.713354816,3.823348908,4.687015523,6.225070436,7.823058791,8.838167349,9.843177772,8.220554693,0,0,0.434324902,0.556372613,0.621141934,0.849068036,1.078138337,1.135547258,1.100094553,0.841784801,0,0,375.1678166,160.5890114,10.52277139,116.0769725,-49.68626156,-7.445178636,259.0908441,210.2752729,17.96795002,0.763708491,0.326902218,0.021420627,0.236291509,-0.10114359,-0.015155741,184.299235,78.88851504,5.169256612,57.0222079,-24.40811708,-3.657405209,0.132918988,0.206030955,1.984797174,1.587451949,491.2447891,0,1,0,394.755991,19.86846725,7.335722765,534.989339,23.12983655,8.117987456,577.1819225,24.02461077,8.326022372,2.31481498,2.31481498,681.2484983,659.6527064,37.42372153,1.032738124,18.20365454,17.62659296,4.050968836,4.649266941,9.26719961,0.993260384,5.730603857,4.942125418,2.687858202,18.73919926,8.393770915,1.602084974,4.480640001,5.661793695,10.02669382,0.093603915,1.396487314,7.044723639,1.951643516,4.751447218,0.002385714,3.696626302,7.93E-04,0.004428908,4.77E-24,9.91E-67,3.97E-131,3.07E-217,0,0,0,0,0,0,0,0,0.480937729,4.93680254,0.221595294,5.115732786,0.065707458,0.132797473,0.706239919,0.066817004,3.141726014,6.64E-04,0.07673075,0.504144842,0.044179413,1.119053793,1.69E-05,0.078908257,5.59E-06,3.12E-05,3.36E-26,6.98E-69,2.80E-133,2.16E-219,0,0,0,0,0,0,0,0,1.552506505,4.937158356,0.717957851,6.110247679,0.632984848,0.427239657,1.476362544,0.48475905,3.98148854,0.006881685,0.271059146,1.602329343,0.221429981,1.615565386,1.75E-04,0.407151432,5.82E-05,3.25E-04,3.50E-25,7.27E-68,2.91E-132,2.25E-218,0,0,0,0,0,0,0,0,5.409223058,4.941541059,2.534379783,17.27323777,7.48323599,1.510200887,4.249463239,5.0631064,9.405108292,0.083402535,1.289138294,6.560511293,1.759834731,4.442423976,0.002125699,3.330033413,7.07E-04,0.003946078,4.25E-24,8.83E-67,3.54E-131,2.73E-217,0,0,0,0,0,0,0,0,2.288104876,4.937619571,1.060789748,7.323347862,1.358712572,0.630989356,2.005120489,0.986666998,4.725899373,0.014936745,0.426746976,2.42653525,0.406084866,2.029131997,3.81E-04,0.754279982,1.26E-04,7.06E-04,7.60E-25,1.58E-67,6.33E-132,4.89E-218,0,0,0,0,0,0,0,0,6.920532299,4.94458254,3.25895324,24.88451821,12.22003309,1.944487846,5.33670918,8.169321472,12.55533552,0.136497676,1.82410302,8.932695795,2.747021947,5.994006571,0.003479005,5.218726241,0.001156739,0.006459147,6.96E-24,1.45E-66,5.79E-131,4.48E-217,0,0,0,0,0,0,0,0,3.224832455,4.453251223,1.554290324,9.463230247,2.657942006,0.85817913,2.873794961,1.885158419,5.594860161,0.029371506,0.611275364,3.472374804,0.67410649,3.004413645,7.49E-04,1.374933896,2.49E-04,0.001388906,1.50E-24,3.11E-67,1.25E-131,9.62E-218,0,0,0,0,0,0,0,0,8.239415401,0.797814353,0.373929455,0.87549421,0.084773229,0.602326532,0.61469179,0.47618233,9.411159208,9.952810257,21.82200366,0.813241316,1.693200652,6.645041133,0.301654092,0.080613294,0.945602589,0.042925978,0.391782663,0.087863543,0.022131317,7.027308519,2.564499837,9.753398015,0.918403884,0.501777523,7.278273904,0.498713779,0.197108953,0.912739616,0.062541728,0.470004376,0.240171955,0.132314251,7.974096636,5.162689381,13.85224726,0.869109425,0.842490582,8.1999431,0.785530909,0.366667773,0.876798416,0.08399476,0.596569562,0.595907803,0.457867064,9.352141782,9.7359925,21.44995462,0.815197624,1.650344429,7.560532238,0.586550968,0.249035862,0.900479397,0.069859773,0.507163474,0.332232587,0.211211571,8.396119069,6.463553397,15.96405624,0.850719096,1.050607632,8.36299266,0.836270512,0.396663841,0.871514826,0.087148486,0.620528825,0.67538432,0.535844959,9.595927013,10.64273922,23.01282372,0.807272239,1.831758104,8.209000478,0.78531685,0.36681315,0.876924053,0.083891241,0.597885472,0.595597927,0.458230209,9.361130478,9.745900271,21.47175276,0.815386079,1.651713608 +UMLMON0302,L,trans-3-heptene,CCC/C=C/CC,5357259,Sandia values from averaged from the co-optima database (source their api report) and independent api report because I don't know which one is better use sandia values cause it is averaged ,Sandia,,C7H14,PubChem,,78.65,0,1.7873,3.19444129,38.2557,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1553.727681,1190.534525,836.642692,662.912715,236.216736,27.433728,0,3885.475125,4800.404174,6510.473121,6757.329631,5033.760223,3708.814733,2624.766494,839.2610996,0,167.819552,166.665724,297.557316,368.638772,433.736464,231.360492,249.049728,181.398528,0,29.42500648,37.33900896,53.15095396,60.26069992,49.42852668,33.74585244,28.04682987,12.00454843,0,3973.037281,3337.521256,6607.529635,8116.887462,10845.00702,5355.600751,6084.723595,4992.776605,0,43.8125,51,77,101.625,87,53.25,54,27,0,48.76541633,52.3287937,36.99351621,22.89489471,13.28004273,20.08826409,6.561576,1.016064,0,161.8947969,208.713225,155.0112648,129.9486467,79.90095593,112.3883252,72.9101804,31.08374443,0,6.992481333,7.246335826,7.084698,7.089207154,6.884705778,7.010924,6.918048,6.718464,0,1.226041937,1.623435172,1.265498904,1.158859614,0.784579789,1.022601589,0.779078607,0.444612905,0,165.54322,145.1096198,157.3221342,156.0939896,172.1429685,162.2909319,169.0200999,184.917652,0,1.825520833,2.217391304,1.833333333,1.954326923,1.380952381,1.613636364,1.5,1,0,0.044844854,-0.010623564,0.012568108,-0.03788059,0.003694648,0.006918645,-0.012043942,0.014944268,0,645.6853813,-53.80711511,121.066009,-632.2336026,282.4873543,-161.4213453,-242.132018,363.198027,0,1200.679538,-100.0566282,225.1274134,-1175.665381,525.297298,-300.1698846,-450.2548269,675.3822403,0,0.126485333,-0.010540444,0.023716,-0.123850222,0.055337333,-0.031621333,-0.047432,0.071148,0,5.367596186,-0.447299682,1.006424285,-5.255771265,2.348323331,-1.341899046,-2.01284857,3.019272855,0,29.15686767,-2.429738973,5.466912688,-28.54943293,12.75612961,-7.289216918,-10.93382538,16.40073807,0,4.4140625,-2.211914063,3.408203125,-4.55859375,0.475585938,0.758789063,-2.21484375,2.135742188,0,0.001868536,-4.62E-04,2.99E-04,-7.28E-04,5.86E-05,2.10E-04,-3.35E-04,5.53E-04,0,26.90355756,-2.339439787,2.882524024,-12.15833851,4.483926259,-4.891555919,-6.725889389,13.45177878,0,50.0283141,-4.350288182,5.36017651,-22.60894964,8.33805235,-9.096057109,-12.50707852,25.01415705,0,0.005270222,-4.58E-04,5.65E-04,-0.002381735,8.78E-04,-9.58E-04,-0.001317556,0.002635111,0,0.223649841,-0.019447812,0.023962483,-0.101072524,0.037274974,-0.040663607,-0.05591246,0.111824921,0,1.214869486,-0.105640825,0.130164588,-0.549027556,0.202478248,-0.220885361,-0.303717372,0.607434743,0,0.183919271,-0.096170177,0.081147693,-0.087665264,0.007548983,0.022993608,-0.061523438,0.079101563,0,-0.247195765,0.160147162,-0.389862999,0.031385648,0.11220333,-0.179046071,0.296216688,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.522893421,0.441213654,-0.476650783,0.041045091,0.125020113,-0.334513274,0.430088496,0,1.56984367,0.841352277,1.745243851,0.900476981,0.764514218,0.884534866,6.84E-05,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.953982301,0.523388116,1.822464261,0.721112516,0.66613033,1.302654867,0,0,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,41.00316563,20.38387448,30.33126575,40.82660313,5.103325392,20.38387449,-0.235416667,0.032330668,0.004041334,-2.745391211,28.4679372,3.558492149,2.679022755,0,11.89,12.11011416,-0.149688568,0.073477273,5.289964258,8.915857025,7,23,22,22,6,1,1,0,0,1,17.491312,3.608525249,3.172678437,2.546376756,2.333552793,2.333552793,1.649162724,0.931861667,0.397227612,1.926977994,1.691768739,1.249629723,1.249629723,1.223771434,0.745845398,0.297853528,0.083923071,3.62805891,3.207399753,2.594875763,2.405454588,2.405454588,1.737001366,1.043720584,0.517676886,1.876462459,1.616534954,1.134540686,1.134540686,1.131769859,0.612241829,0.137154653,0.270913902,3.717166224,3.361600155,2.80493764,2.704236987,2.704236987,2.100801284,1.505468079,0.962613738,1.735605573,1.392521097,0.845930253,0.76031856,0.76031856,0.168462082,0.409524018,0.943918427,3.64261803,3.23308843,2.630494224,2.457539916,2.457539916,1.800657489,1.124824707,0.601515278,1.844976609,1.5683208,1.071822459,1.058262671,1.058262671,0.52294106,0.028751002,0.399277246,3.76253871,3.437026821,2.904256772,2.838982085,2.838982085,2.262897523,1.70844532,1.207644823,1.694079099,1.322382864,0.752392054,0.631337262,0.631337262,0.012477532,0.606035431,1.138355086,3.631928453,3.239444411,2.725964702,2.566711365,2.566711365,1.849610427,1.216186754,0.587961665,1.850229889,1.544114669,0.960818414,0.939592721,0.939592721,0.445183779,0.09162322,0.542372881,0,0,0,2,0,4,1,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.366025404,0.288675135,0,0,0.75,0.780330086,0.707106781,0.5,0.520220057,0.471404521,6.621320344,3.560660172,3.664213562,1.280330086,0.707106781,0.530330086,0,0,0.827665043,0.508665739,0.40713484,0.256066017,0.176776695,0.176776695,0,0,6.36180732,3.23736354,3.176642621,0.853553391,0.471404521,0.353553391,0,0,0.795225915,0.462480506,0.352960291,0.170710678,0.11785113,0.11785113,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,56,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,1,0,2,0,0,0,0,0,0,0,0,4,0,1,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.451388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.545833333,0,0,1.263888889,0.290277778,0,0.545833333,0,0,0,0,0,0,0,0,8.7775,0,1.150069444,0,4.451388889,0,0,0,0,0,0,0,0.371041667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.208333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.260763889,0,0,0.243402778,0.290277778,0,0.260763889,0,0,0,0,0,0,0,0,2.155,0,1.150069444,0,2.208333333,0,0,0,0,0,0,0,0.371041667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.243055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.285069444,0,0,0.290277778,0.290277778,0,0.285069444,0,0,0,0,0,0,0,0,2.2075,0,1.150069444,0,2.243055556,0,0,0,0,0,0,0,0.371041667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.75,1.84375,0.290277778,2.243055556,0.090277778,0.371041667,5.683507569,0.878958333,0.243055556,2.457777778,0.878958333,0.243055556,2.457777778,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.5,0,0.125,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.90228,0.98779,9.21764,1.31536,0.16442,3.06066,0.38258,3.56066,0.5,0.0625,0.35334,0.04417,0.35334,0.04417,0,7,0,0,0,0,0,0,0.75,0.918295834,1.864005463,2.427694271,2.833333333,2.781453646,2.128947396,22.03910002,44.73613111,58.26466251,68,66.7548875,51.09473751,0.200284263,0.406547592,0.52949054,0.617962161,0.606646978,0.464332564,3.666666667,2.720957038,2.15726823,1.751629167,1.803508855,2.456015105,0.200284263,0.406547592,0.52949054,0.617962161,0.606646978,0.464332564,6.73287657,14.09808847,17.06848793,16.56128655,15.9387303,12.56751084,31.59900002,23.1652494,19.67619063,20.65400989,21.80513802,17.16829583,8,3.111111111,7.2,8,2,6,2.34,1.1928,1.897366596,4.669630297,0,2.828427125,2.381101578,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.158,0.135,0.148,0.155,3.294,9,5,4,3,0,0,0,0,0,36,2.197224577,2.48490665,2.397895273,2.197224577,1.945910149,0,0,0,0,0,3.951243719,1.416666667,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,3,5,0.666666667,3,0.666666667,0.375,0.24,0,0,0,0,0,0,0.428571429,0.074074074,0.075,0.06,0,0,0,0,0,0,0.637645503,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,0,144.287877,4,3.496507561,4.110873864,4.934473933,5.579729826,6.408528791,7.065613364,7.89469085,8.556990661,9.385721231,72.43313008,2.708050201,0,3.931825633,0,5.303304908,0,6.736966958,0,8.201111644,8.467792841,112.1252005,4.671883355,14.44048295,1.805060369,0,0,0,71,5,4.154,32,1.217210781,2.117752823,2.995875407,3.605947098,4.432247711,4.722470144,5.876038102,0,0,0,75.14869748,91.05673146,74.76917843,52.09518958,96.49865781,35.46436929,5.970430778,0,0,0,280.8087496,364.2659525,407.2246913,304.7840712,508.4375776,378.0873889,182.6492666,0,0,0,8.856967766,15.08391117,21.28005908,24.88239166,31.05311399,32.83142199,39.47795045,0,0,0,2.121259223,2.89869872,3.581953088,2.945027158,4.561773173,3.949227664,2.61256237,0,0,0,174.3472337,327.4159009,464.6251106,616.3986357,721.4809634,785.3564734,1086.583169,0,0,0,2.769300262,4.12264479,5.98112353,5.123873946,7.167303675,7.487412081,5.876038102,0,0,0,0.439552267,0.607474051,0.76229944,0.639704388,0.976470086,0.864036953,0.601706302,0,0,0,327.671779,150.4488956,9.209355637,60.88458923,-27.95486154,-3.921241357,266.7871897,178.4037572,13.13059699,0.843305646,0.387199665,0.023701466,0.156694354,-0.071945447,-0.010091821,127.3189564,58.45787649,3.578353779,23.65709487,-10.86203947,-1.523623301,0.125070705,0.190985346,2.349030333,1.89796918,388.5563682,0,1,0,449.4331053,21.19983739,7.65987507,610.2642511,24.7035271,8.482150553,772.8825105,27.80076457,9.177079485,1.621927765,1.617651337,491.6242217,477.4943845,135.1001828,1.02959163,3.638960448,3.534372602,4.211898158,4.636382911,7.239471532,0.561448153,6.790289757,5.579470662,3.548042508,14.59328642,10.98152623,15.42062854,5.913733168,2.305345595,9.349345812,5.325857384,2.169223499,3.678327741,1.138125676,0.001577641,7.75E-26,9.86E-70,2.47E-135,1.19E-222,0,0,0,0,0,0,0,0,0,0,0,0,0.569865516,5.563298366,0.241012079,7.743859902,0.6559786,1.225226603,0.385318113,0.677826319,0.649802092,0.208468332,0.441530741,0.288075787,0.008470064,1.11E-05,5.46E-28,6.95E-72,1.74E-137,8.39E-225,0,0,0,0,0,0,0,0,0,0,0,0,1.839586719,5.564379159,0.815410915,8.294332048,1.772494996,3.966324623,1.138300099,0.964629336,2.185934601,0.830111665,0.55697845,0.943531274,0.084698789,1.16E-04,5.69E-27,7.24E-71,1.81E-136,8.74E-224,0,0,0,0,0,0,0,0,0,0,0,0,6.409479842,5.577695131,3.309986587,13.87410183,9.998768266,14.49623659,5.442453268,2.189646056,8.731992883,4.862957683,1.979537916,3.457842676,1.014362197,0.00140565,6.91E-26,8.79E-70,2.20E-135,1.06E-222,0,0,0,0,0,0,0,0,0,0,0,0,2.711210519,5.565780348,1.239598792,8.923896325,2.83324086,5.894466458,1.766688012,1.174993299,3.311592469,1.382425474,0.706662603,1.404338481,0.182859525,2.52E-04,1.24E-26,1.57E-70,3.93E-136,1.90E-223,0,0,0,0,0,0,0,0,0,0,0,0,8.200257467,5.586936501,4.469879702,17.59658036,15.01835669,18.90609255,7.809493875,2.751968349,11.73137932,7.209645274,2.96682582,4.509372853,1.658368018,0.002300841,1.13E-25,1.44E-69,3.60E-135,1.74E-222,0,0,0,0,0,0,0,0,0,0,0,0,3.861171779,4.440066355,1.760617334,10.71060435,4.198496037,8.401564316,2.717921618,1.389916258,4.384402428,2.220176743,1.016955257,2.085193063,0.336538279,4.64E-04,2.28E-26,2.90E-70,7.26E-136,3.50E-223,0,0,0,0,0,0,0,0,0,0,0,0,4.832628966,1.152678746,1.023593218,0.689498826,0.164459272,0.502864911,0.445086687,0.378575301,7.00890093,11.69698908,24.40778399,0.53424824,1.326526899,3.718957342,0.679975366,0.53935851,0.753085871,0.137694465,0.298772653,0.155976072,0.10511206,4.938291219,4.901401174,11.20362186,0.629628806,0.559860785,4.16103677,0.867952599,0.731680819,0.722318174,0.150668684,0.373444756,0.253442309,0.193437565,5.760670187,7.291197734,15.69439369,0.583477261,0.82032463,4.805036313,1.140997223,1.011604931,0.690613106,0.163992025,0.497167713,0.436187372,0.36975951,6.957638468,11.49756994,24.00136592,0.535919659,1.303114595,4.358197439,0.951634115,0.817406787,0.711282505,0.155312077,0.409439492,0.304285979,0.241420395,6.127238341,8.487701715,18.00506062,0.566923758,0.955145867,4.919019887,1.189244783,1.061125344,0.686114143,0.165878098,0.520913101,0.473514984,0.406846751,7.169390014,12.33155319,25.70844023,0.529171215,1.401274835,4.80847599,1.142728083,1.01284708,0.69047109,0.164089559,0.497900048,0.437564921,0.370668122,6.964051154,11.52244022,24.05186381,0.535706635,1.306133091 +UMLMON0303,L,"cis-2,2-dimethyl-3-hexene",CC/C=C\C(C)(C)C,5357260,Sandia values from independent api report ,Sandia,,C8H16,PubChem,,88,0,1.7873,3.19444129,38.2557,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1553.727681,1190.534525,836.642692,662.912715,236.216736,27.433728,0,3885.475125,4800.404174,6510.473121,6757.329631,5033.760223,3708.814733,2624.766494,839.2610996,0,167.819552,166.665724,297.557316,368.638772,433.736464,231.360492,249.049728,181.398528,0,29.42500648,37.33900896,53.15095396,60.26069992,49.42852668,33.74585244,28.04682987,12.00454843,0,3973.037281,3337.521256,6607.529635,8116.887462,10845.00702,5355.600751,6084.723595,4992.776605,0,43.8125,51,77,101.625,87,53.25,54,27,0,48.76541633,52.3287937,36.99351621,22.89489471,13.28004273,20.08826409,6.561576,1.016064,0,161.8947969,208.713225,155.0112648,129.9486467,79.90095593,112.3883252,72.9101804,31.08374443,0,6.992481333,7.246335826,7.084698,7.089207154,6.884705778,7.010924,6.918048,6.718464,0,1.226041937,1.623435172,1.265498904,1.158859614,0.784579789,1.022601589,0.779078607,0.444612905,0,165.54322,145.1096198,157.3221342,156.0939896,172.1429685,162.2909319,169.0200999,184.917652,0,1.825520833,2.217391304,1.833333333,1.954326923,1.380952381,1.613636364,1.5,1,0,0.044844854,-0.010623564,0.012568108,-0.03788059,0.003694648,0.006918645,-0.012043942,0.014944268,0,645.6853813,-53.80711511,121.066009,-632.2336026,282.4873543,-161.4213453,-242.132018,363.198027,0,1200.679538,-100.0566282,225.1274134,-1175.665381,525.297298,-300.1698846,-450.2548269,675.3822403,0,0.126485333,-0.010540444,0.023716,-0.123850222,0.055337333,-0.031621333,-0.047432,0.071148,0,5.367596186,-0.447299682,1.006424285,-5.255771265,2.348323331,-1.341899046,-2.01284857,3.019272855,0,29.15686767,-2.429738973,5.466912688,-28.54943293,12.75612961,-7.289216918,-10.93382538,16.40073807,0,4.4140625,-2.211914063,3.408203125,-4.55859375,0.475585938,0.758789063,-2.21484375,2.135742188,0,0.001868536,-4.62E-04,2.99E-04,-7.28E-04,5.86E-05,2.10E-04,-3.35E-04,5.53E-04,0,26.90355756,-2.339439787,2.882524024,-12.15833851,4.483926259,-4.891555919,-6.725889389,13.45177878,0,50.0283141,-4.350288182,5.36017651,-22.60894964,8.33805235,-9.096057109,-12.50707852,25.01415705,0,0.005270222,-4.58E-04,5.65E-04,-0.002381735,8.78E-04,-9.58E-04,-0.001317556,0.002635111,0,0.223649841,-0.019447812,0.023962483,-0.101072524,0.037274974,-0.040663607,-0.05591246,0.111824921,0,1.214869486,-0.105640825,0.130164588,-0.549027556,0.202478248,-0.220885361,-0.303717372,0.607434743,0,0.183919271,-0.096170177,0.081147693,-0.087665264,0.007548983,0.022993608,-0.061523438,0.079101563,0,-0.247195765,0.160147162,-0.389862999,0.031385648,0.11220333,-0.179046071,0.296216688,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.522893421,0.441213654,-0.476650783,0.041045091,0.125020113,-0.334513274,0.430088496,0,1.56984367,0.841352277,1.745243851,0.900476981,0.764514218,0.884534866,6.84E-05,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.953982301,0.523388116,1.822464261,0.721112516,0.66613033,1.302654867,0,0,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,41.00316563,20.38387448,30.33126575,40.82660313,5.103325392,20.38387449,-0.235416667,0.032330668,0.004041334,-2.745391211,28.4679372,3.558492149,2.679022755,0,11.89,12.11011416,-0.149688568,0.073477273,5.289964258,8.915857025,7,23,22,22,6,1,1,0,0,1,17.491312,3.608525249,3.172678437,2.546376756,2.333552793,2.333552793,1.649162724,0.931861667,0.397227612,1.926977994,1.691768739,1.249629723,1.249629723,1.223771434,0.745845398,0.297853528,0.083923071,3.62805891,3.207399753,2.594875763,2.405454588,2.405454588,1.737001366,1.043720584,0.517676886,1.876462459,1.616534954,1.134540686,1.134540686,1.131769859,0.612241829,0.137154653,0.270913902,3.717166224,3.361600155,2.80493764,2.704236987,2.704236987,2.100801284,1.505468079,0.962613738,1.735605573,1.392521097,0.845930253,0.76031856,0.76031856,0.168462082,0.409524018,0.943918427,3.64261803,3.23308843,2.630494224,2.457539916,2.457539916,1.800657489,1.124824707,0.601515278,1.844976609,1.5683208,1.071822459,1.058262671,1.058262671,0.52294106,0.028751002,0.399277246,3.76253871,3.437026821,2.904256772,2.838982085,2.838982085,2.262897523,1.70844532,1.207644823,1.694079099,1.322382864,0.752392054,0.631337262,0.631337262,0.012477532,0.606035431,1.138355086,3.631928453,3.239444411,2.725964702,2.566711365,2.566711365,1.849610427,1.216186754,0.587961665,1.850229889,1.544114669,0.960818414,0.939592721,0.939592721,0.445183779,0.09162322,0.542372881,0,0,0,2,0,4,1,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.366025404,0.288675135,0,0,0.75,0.780330086,0.707106781,0.5,0.520220057,0.471404521,6.621320344,3.560660172,3.664213562,1.280330086,0.707106781,0.530330086,0,0,0.827665043,0.508665739,0.40713484,0.256066017,0.176776695,0.176776695,0,0,6.36180732,3.23736354,3.176642621,0.853553391,0.471404521,0.353553391,0,0,0.795225915,0.462480506,0.352960291,0.170710678,0.11785113,0.11785113,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,56,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,1,0,2,0,0,0,0,0,0,0,0,4,0,1,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.451388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.545833333,0,0,1.263888889,0.290277778,0,0.545833333,0,0,0,0,0,0,0,0,8.7775,0,1.150069444,0,4.451388889,0,0,0,0,0,0,0,0.371041667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.208333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.260763889,0,0,0.243402778,0.290277778,0,0.260763889,0,0,0,0,0,0,0,0,2.155,0,1.150069444,0,2.208333333,0,0,0,0,0,0,0,0.371041667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.243055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.285069444,0,0,0.290277778,0.290277778,0,0.285069444,0,0,0,0,0,0,0,0,2.2075,0,1.150069444,0,2.243055556,0,0,0,0,0,0,0,0.371041667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.75,1.84375,0.290277778,2.243055556,0.090277778,0.371041667,5.683507569,0.878958333,0.243055556,2.457777778,0.878958333,0.243055556,2.457777778,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.5,0,0.125,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.90228,0.98779,9.21764,1.31536,0.16442,3.06066,0.38258,3.56066,0.5,0.0625,0.35334,0.04417,0.35334,0.04417,0,7,0,0,0,0,0,0,0.75,0.918295834,1.864005463,2.427694271,2.833333333,2.781453646,2.128947396,22.03910002,44.73613111,58.26466251,68,66.7548875,51.09473751,0.200284263,0.406547592,0.52949054,0.617962161,0.606646978,0.464332564,3.666666667,2.720957038,2.15726823,1.751629167,1.803508855,2.456015105,0.200284263,0.406547592,0.52949054,0.617962161,0.606646978,0.464332564,6.73287657,14.09808847,17.06848793,16.56128655,15.9387303,12.56751084,31.59900002,23.1652494,19.67619063,20.65400989,21.80513802,17.16829583,8,3.111111111,7.2,8,2,6,2.34,1.1928,1.897366596,4.669630297,0,2.828427125,2.381101578,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.158,0.135,0.148,0.155,3.294,9,5,4,3,0,0,0,0,0,36,2.197224577,2.48490665,2.397895273,2.197224577,1.945910149,0,0,0,0,0,3.951243719,1.416666667,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,3,5,0.666666667,3,0.666666667,0.375,0.24,0,0,0,0,0,0,0.428571429,0.074074074,0.075,0.06,0,0,0,0,0,0,0.637645503,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,0,144.287877,4,3.496507561,4.110873864,4.934473933,5.579729826,6.408528791,7.065613364,7.89469085,8.556990661,9.385721231,72.43313008,2.708050201,0,3.931825633,0,5.303304908,0,6.736966958,0,8.201111644,8.467792841,112.1252005,4.671883355,14.44048295,1.805060369,0,0,0,71,5,4.154,32,1.217945032,2.118309109,2.988534059,3.586385076,4.70202284,5.615572394,6.231474973,0,0,0,75.0527386,90.47379026,75.65693944,58.83221103,108.4286031,38.59879144,6.331577387,0,0,0,280.6480202,362.8792519,407.3428702,320.9540484,576.734492,422.6450593,193.6975755,0,0,0,8.861858398,15.08552538,21.22260821,24.77882664,33.1087118,38.91184648,41.86594028,0,0,0,2.120747679,2.89117698,3.574067936,3.031052843,5.128492109,4.480627572,2.770594189,0,0,0,174.480552,327.6558426,463.9835018,610.9274919,752.3009265,944.1226872,1152.309721,0,0,0,2.769668515,4.116254506,5.948408572,5.140566243,7.940429984,8.581304907,6.231474973,0,0,0,0.439472628,0.606029277,0.760391145,0.65608669,1.095096501,0.983119407,0.638103037,0,0,0,360.8990955,165.7050556,9.671835058,103.2459227,-47.40486076,-5.767889906,257.6531727,213.1099164,15.43972496,0.777556758,0.357011385,0.020837959,0.222443242,-0.102133727,-0.012426913,167.5095172,76.91117605,4.489134059,47.92108069,-22.00272996,-2.677137365,0.125070705,0.190985346,2.017011911,1.045084295,464.1450182,0,1,0,451.2138043,21.24179381,7.669978136,611.3979928,24.72646341,8.487399984,757.7676916,27.52758056,9.116861591,1.744369847,1.744369847,570.7572562,559.9221655,128.8573202,1.019351066,4.429373939,4.345287985,4.399293951,4.627870394,8.068049582,0.743361178,6.513838744,5.59877393,1.846724123,20.65423845,7.809247666,11.29530975,4.995005184,9.700033169,10.00412733,5.80687174,3.972450907,5.922452309,0.37136852,0.170796499,0.62934571,7.89E-09,1.91E-38,8.89E-90,7.99E-163,1.39E-257,0,0,0,0,0,0,0,0,0,0,0.546667803,5.58984018,0.149843149,9.045089442,1.219210002,0.809220379,0.886065669,2.081637867,2.291570227,0.504732883,0.159401969,0.244365944,0.028623406,0.001203188,0.004432533,5.55E-11,1.34E-40,6.26E-92,5.63E-165,9.76E-260,0,0,0,0,0,0,0,0,0,0,1.764694607,5.590437302,0.487098582,9.960603323,1.889918179,2.701679287,1.6711555,2.780540155,3.236683683,1.565454108,0.626312812,0.95193601,0.094075486,0.01253615,0.046190414,5.79E-10,1.40E-39,6.52E-91,5.86E-164,1.02E-258,0,0,0,0,0,0,0,0,0,0,6.148532815,5.597793136,1.739618001,19.4291007,7.167209029,10.56563336,4.724485511,8.930754251,9.309385695,5.474651967,3.62885092,5.415136436,0.348790597,0.152176781,0.560735697,7.03E-09,1.70E-38,7.92E-90,7.12E-163,1.23E-257,0,0,0,0,0,0,0,0,0,0,2.600831824,5.591211365,0.721320044,11.02084538,2.550599156,4.074422054,2.226019603,3.514530631,4.072292158,2.300007097,1.039297654,1.571705057,0.140345253,0.027229567,0.100331752,1.26E-09,3.04E-39,1.42E-90,1.27E-163,2.21E-258,0,0,0,0,0,0,0,0,0,0,7.866402174,5.602898002,2.246950814,25.77447323,10.45734156,14.09657873,6.018160571,12.89223129,12.82917076,7.045591492,5.369734341,7.982150506,0.456775767,0.249089813,0.917841571,1.15E-08,2.78E-38,1.30E-89,1.17E-162,2.02E-257,0,0,0,0,0,0,0,0,0,0,3.714272416,4.440028741,0.983007901,13.51864201,3.745376171,6.111100964,2.806403141,4.259087631,4.65798941,3.135417512,1.360100907,2.511522335,0.208759437,0.050243896,0.185133584,2.32E-09,5.61E-39,2.61E-90,2.35E-163,4.08E-258,0,0,0,0,0,0,0,0,0,0,5.640245403,1.207192157,0.999621857,0.718771849,0.153840068,0.54781302,0.567195281,0.372895314,7.847059417,13.65370826,28.30705297,0.578157773,1.487903615,4.467378549,0.626363248,0.526213866,0.794913486,0.111453415,0.344785608,0.152066434,0.103333232,5.619955663,5.478599304,12.57100752,0.692370229,0.600185275,4.93296835,0.857284481,0.714236154,0.758394451,0.131798898,0.419774456,0.285546237,0.190370258,6.504488985,8.364565123,17.88952824,0.637591676,0.895690951,5.611186678,1.192834316,0.987901609,0.720128647,0.153086007,0.542216765,0.553763541,0.364202418,7.791922603,13.41491931,27.81908079,0.58019297,1.460182723,5.140606608,0.960109859,0.798045426,0.745149157,0.139171329,0.455596334,0.358408756,0.237667975,6.898761893,9.804195959,20.64174863,0.617723735,1.051673065,5.731226663,1.252136573,1.036314824,0.714645478,0.156133022,0.565520716,0.610274584,0.400773374,8.01967806,14.41324136,29.86980323,0.571968217,1.576568673,5.612612093,1.193472261,0.989112001,0.720009072,0.153103553,0.54244005,0.554386362,0.365095417,7.795196355,13.43047656,27.85123653,0.580013608,1.461921828 +UMLMON0304,L,"2,2-dimethyl-3-hexene",CC/C=C/C(C)(C)C,5357261,(cis) reported; RON from [9],UML,"[1], [9]",C8H16,PubChem,,88,0,0.3502,0.12264004,35.1364,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1190.529654,1024.169165,840.535588,646.827051,450.070322,264.404617,81.787104,3885.475125,4800.404174,5835.09088,5502.536552,4641.558567,3728.011456,2721.213111,1798.067638,968.1733981,167.819552,166.665724,297.486168,362.651252,313.602448,270.87294,207.98804,145.502308,103.171968,29.42500648,37.33900896,50.13168111,50.22672885,42.7633572,35.07566706,26.0541382,17.70154074,10.682782,3973.037281,3337.521256,6591.128897,8593.814026,7452.899071,6528.696872,5049.741717,3538.991458,2582.994154,41,48.75,71.5,77.75,67,58,45,31.5,21,48.76541633,52.3287937,28.34594414,19.69556087,18.67856862,16.585309,15.00234407,12.59069605,5.4524736,161.8947969,208.713225,138.9307352,105.8180106,103.1457459,95.59003733,90.70710369,85.62226847,64.54489321,6.992481333,7.246335826,7.083004,6.974062538,6.968943289,6.94546,6.932934667,6.928681333,6.8781312,1.226041937,1.623435172,1.193611455,0.965898632,0.950296827,0.899376078,0.868471273,0.842930512,0.712185467,165.54322,145.1096198,156.9316404,165.2656544,165.6199794,167.4024839,168.3247239,168.5234028,172.1996103,1.708333333,2.119565217,1.702380952,1.495192308,1.488888889,1.487179487,1.5,1.5,1.4,0.048481871,-0.002709104,-0.024462217,-0.002909332,0.001969961,0.002709864,-0.001385018,-0.002710404,-3.63E-04,645.6853813,-53.80711511,-242.132018,-26.90355756,-40.35533633,-2.74E-13,-2.17E-13,-40.35533633,-40.35533633,1200.679538,-100.0566282,-450.2548269,-50.0283141,-75.04247115,1.42E-13,1.42E-13,-75.04247115,-75.04247115,0.126485333,-0.010540444,-0.047432,-0.005270222,-0.007905333,-7.38E-16,-7.24E-16,-0.007905333,-0.007905333,5.367596186,-0.447299682,-2.01284857,-0.223649841,-0.335474762,-2.69E-15,-2.69E-15,-0.335474762,-0.335474762,29.15686767,-2.429738973,-10.93382538,-1.214869486,-1.822304229,2.73E-14,2.73E-14,-1.822304229,-1.822304229,3.5,-0.3125,-1,-0.375,-0.1875,0.1875,0,-0.0625,-0.5625,0.002020078,-1.18E-04,-5.82E-04,-5.59E-05,4.38E-05,6.95E-05,-4.62E-05,-1.29E-04,-2.42E-05,26.90355756,-2.339439787,-5.765048048,-0.517376107,-0.896785252,-7.01E-15,-7.22E-15,-1.921682683,-2.690355756,50.0283141,-4.350288182,-10.72035302,-0.962082963,-1.66761047,3.64E-15,4.74E-15,-3.573451007,-5.00283141,0.005270222,-4.58E-04,-0.001129333,-1.01E-04,-1.76E-04,-1.89E-17,-2.41E-17,-3.76E-04,-5.27E-04,0.223649841,-0.019447812,-0.047924966,-0.004300958,-0.007454995,-6.90E-17,-8.97E-17,-0.015974989,-0.022364984,1.214869486,-0.105640825,-0.260329176,-0.023362875,-0.04049565,7.00E-16,9.10E-16,-0.086776392,-0.121486949,0.145833333,-0.013586957,-0.023809524,-0.007211538,-0.004166667,0.004807692,0,-0.00297619,-0.0375,-0.058308203,-0.28832241,-0.027696304,0.021670904,0.034396537,-0.022854204,-0.063892023,-0.011994419,-0.086956522,-0.214285714,-0.019230769,-0.033333333,-2.61E-16,-2.69E-16,-0.071428571,-0.1,-0.086956522,-0.214285714,-0.019230769,-0.033333333,7.28E-17,9.47E-17,-0.071428571,-0.1,-0.086956522,-0.214285714,-0.019230769,-0.033333333,-3.59E-15,-4.58E-15,-0.071428571,-0.1,-0.086956522,-0.214285714,-0.019230769,-0.033333333,-3.09E-16,-4.01E-16,-0.071428571,-0.1,-0.086956522,-0.214285714,-0.019230769,-0.033333333,5.76E-16,7.49E-16,-0.071428571,-0.1,-0.093167702,-0.163265306,-0.049450549,-0.028571429,0.032967033,0,-0.020408163,-0.257142857,1.384171883,1.386403607,0.982155294,0.872996103,0.858948664,1.004375454,1.026454596,0.690323846,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.153911565,0.900412088,0.876190476,0.884615385,1.013095238,1.056122449,1.314285714,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,47.14902419,23.49117876,38.74380497,47.02402419,5.878003023,23.49117876,-0.166666667,0.171637148,0.021454644,-1.409898108,43.9995647,5.499945587,3.027343793,0,11.89,12.11011416,-0.181126041,0.043400338,5.117889282,7.339208173,7,23,22,22,6,1,1,0,0,1,17.491312,3.516410379,3.260192645,2.823237318,2.344112785,1.920737629,1.494056811,1.172188343,0.765552708,1.901938035,1.72467367,1.474847659,1.164158257,0.882472781,0.674819937,0.537244778,0.264948938,3.54138316,3.291623903,2.869140784,2.405337091,1.995042692,1.591223913,1.292051298,0.900237444,1.843800879,1.65715269,1.384863832,1.057160999,0.760994059,0.53404755,0.382288668,0.098420393,3.65314551,3.429835184,3.069028381,2.666187107,2.307265261,1.988228,1.764958626,1.426151911,1.675814026,1.457393086,1.108296945,0.716211496,0.366260137,0.061177417,0.150663185,0.481037356,3.559889259,3.314785609,2.90289955,2.450078683,2.049119366,1.661310387,1.377423667,0.995868659,1.807023717,1.614042512,1.326467596,0.986753469,0.680473159,0.439587027,0.277483129,0.014673394,3.708637808,3.49702726,3.164338757,2.786888017,2.449121696,2.162581267,1.965546246,1.646282426,1.624538704,1.394834473,1.018829109,0.601637524,0.230713349,0.107394532,0.346721507,0.697172227,3.600434656,3.346254527,2.951277354,2.538830202,2.133102629,1.731107366,1.460951897,1.156437592,1.8127061,1.529787877,1.240841402,0.887362892,0.564358143,0.329985093,0.163977797,0.182051654,0,0,0,2,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.983127663,3.526038674,2.06481751,1.210046463,0.678855364,0.345522031,0.166666667,0.083333333,0.747890958,0.503719811,0.344136252,0.242009293,0.169713841,0.11517401,0.083333333,0.083333333,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,2,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.3525,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.621425737,0,0,1.188296485,0.580555556,0,0.621425737,0,0,0,0,0,0,0,0,4.307148526,0,5.340351474,0,4.3525,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.120694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.299375,0,0,0.212046485,0.290277778,0,0.299375,0,0,0,0,0,0,0,0,2.075342971,0,1.268194444,0,2.120694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.231805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.322050737,0,0,0.290277778,0.290277778,0,0.322050737,0,0,0,0,0,0,0,0,2.231805556,0,1.379305556,0,2.231805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,1.75,0.322050737,2.231805556,0.212046485,1.268194444,5.653437574,0.231805556,0.231805556,1.319297052,0.231805556,0.231805556,1.319297052,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.25,0,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,6.82804,0.85351,7.95768,1.12964,0.1412,3.31066,0.41383,3.91421,0.60355,0.07544,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,0.75,0.918295834,1.999218484,3.375814584,3.772055209,3.569773835,3.720175521,22.03910002,47.98124361,81.01955001,90.52932501,85.67457204,89.28421252,0.200284263,0.436038132,0.73627965,0.822701431,0.778582995,0.811386248,3.666666667,2.585744017,1.209147917,0.812907292,1.015188666,0.864786979,0.200284263,0.436038132,0.73627965,0.822701431,0.778582995,0.811386248,6.73287657,15.72064472,20.20180045,19.68512709,19.48126286,20.54885602,31.59900002,20.72164002,15.6149125,15.48446146,16.11929522,14.59924844,8,7,7.2,8,2,8,2.34,1.1928,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.706,6,5,4,3,2,1,0,0,0,36,2.197224577,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.098612289,0,0,0,3.891820298,1.333333333,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,144.287877,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,112.1252005,4.671883355,14.83110795,1.853888494,0,0,0,84,5,4.481,26,1.214695529,2.111945447,2.890910851,3.665440761,4.990109129,6.006152083,7.370909735,8.438665012,9.588969782,0,74.5933221,68.0718588,69.58804184,88.00655921,98.1782477,106.8737678,104.4119235,49.34964263,9.743006993,0,279.2936939,317.2677931,338.4579146,444.296818,524.2348198,603.5612564,672.0789697,569.849578,298.0610861,0,8.83738545,15.01464886,20.22071259,25.73630681,34.77855048,41.81726696,51.19503365,58.16238194,64.42314828,0,2.111803926,2.667692274,2.980061953,3.919154029,4.786001283,5.607931973,6.48699798,6.211221596,4.263379709,0,174.0666666,327.398684,473.7153923,592.6399598,826.5406417,997.6085753,1232.763991,1443.565514,1773.169778,0,2.665749658,3.716822622,4.465166697,5.853435776,7.7151763,9.449575905,11.39625294,12.11509912,9.588969782,0,0.437667648,0.563959776,0.636465528,0.836466269,1.028379031,1.208246004,1.40577741,1.36999663,0.981910506,0,400.7851485,194.2384688,11.52400639,136.6758392,-66.23924524,-8.588873489,264.1093092,260.4777141,20.11287988,0.745700912,0.361400126,0.021441568,0.254299088,-0.12324475,-0.015980459,215.4063818,104.3955993,6.193703855,73.45793156,-35.60101018,-4.616184429,0.117378848,0.187832664,1.939705421,1.724868522,537.4609877,0,1,0,457.3043075,21.38467459,7.704333915,617.5192792,24.84993519,8.515631118,685.4891933,26.18184855,8.817257771,2.666538324,2.666538324,996.2402226,972.1586574,43.03756903,1.024771229,23.14815277,22.58860524,4.408184612,5.629392626,10.25412949,0.821533897,6.527620259,5.867475719,3.030818259,25.37174629,11.08076802,2.477007622,4.345057893,7.261414028,13.36376305,1.407510802,1.688206602,6.228936953,3.695635307,4.532832518,1.358531187,0.494489396,3.736710439,4.126182414,0.003143526,0.00473425,1.38E-24,7.73E-68,8.37E-133,1.75E-219,0,0,0,0,0,0,0.547825911,5.861095794,0.25011151,6.150646592,0.08594632,0.081320369,0.924794663,0.210878502,4.284497608,0.038752761,0.067421497,0.578015035,0.135648038,2.134866204,0.049261034,0.024234891,0.181324549,0.10510286,2.22E-05,3.33E-05,9.70E-27,5.45E-70,5.89E-135,1.23E-221,0,0,0,0,0,0,1.768429422,5.861522264,0.810186976,7.521588075,0.833571466,0.344530096,1.622664554,0.943338791,5.428623927,0.177397704,0.264439507,1.723570697,0.5528721,2.603607335,0.201686951,0.089299665,0.65041277,0.498204587,2.31E-04,3.47E-04,1.01E-25,5.67E-69,6.14E-134,1.28E-220,0,0,0,0,0,0,6.161541534,5.866775313,2.857922913,23.29205625,9.878206884,2.25046441,4.135573216,6.579776716,12.5570648,1.273924522,1.541642647,5.880190445,3.368223963,4.378695412,1.237757667,0.454760796,3.428260882,3.728713546,0.002800873,0.004218131,1.23E-24,6.89E-68,7.46E-133,1.56E-219,0,0,0,0,0,0,2.606335467,5.862075069,1.19689587,9.220584951,1.791179759,0.592260348,2.101813124,1.65598496,6.424590702,0.314364032,0.439419761,2.512309757,0.931164035,2.931540052,0.340416197,0.143146627,1.048629402,0.895045525,5.01E-04,7.55E-04,2.20E-25,1.23E-68,1.33E-133,2.79E-220,0,0,0,0,0,0,7.883045004,5.8704208,3.673994945,34.09717758,16.13447953,3.406493992,5.12079733,10.06907615,16.63545002,1.958655622,2.284618717,7.523368757,5.032188779,5.111861556,1.851823197,0.654008018,4.981847109,5.769621943,0.004584306,0.006904458,2.01E-24,1.13E-67,1.22E-132,2.55E-219,0,0,0,0,0,0,3.752377172,5.403696072,1.761822792,12.16131283,3.649538423,0.943264545,2.821143349,2.710435846,8.013674395,0.520842366,0.667300578,3.939868027,1.458968663,3.83819517,0.527896526,0.248989357,1.834493632,1.670295548,0.001026758,0.001545877,4.50E-25,2.52E-68,2.73E-133,5.71E-220,0,0,0,0,0,0,9.989626745,0.791984757,0.391850503,0.894049377,0.070880874,0.546168361,0.564948546,0.499982091,11.173462,12.136412,26.41005102,0.841074066,1.611098998,8.612226636,0.299352479,0.08447679,0.957333606,0.033275969,0.406491177,0.081340489,0.023237448,8.996055904,3.330912985,12.54475777,0.936000409,0.511069113,9.15889228,0.495403,0.206555651,0.928813582,0.050239376,0.459431519,0.222347168,0.138927364,9.860850931,6.531491964,17.32955668,0.893220374,0.820706051,9.955488782,0.779825987,0.384240796,0.895313551,0.070131039,0.542454437,0.547896981,0.480751422,11.11955556,11.88849476,25.99112251,0.842970327,1.57110284,9.402737628,0.582616817,0.260971225,0.917669214,0.056861048,0.484104541,0.307095776,0.221768,10.24632567,8.084083246,19.76005967,0.876503822,1.012968316,10.09651461,0.8300396,0.415674464,0.890170257,0.073181349,0.557879845,0.619955044,0.56262668,11.34222868,12.92239652,27.74818793,0.835255385,1.740461569,9.98949972,0.779880826,0.384594012,0.895600009,0.069919545,0.546158363,0.547862503,0.481635697,11.15397456,11.93245857,26.08265866,0.843400014,1.575656563 +UMLMON0305,L,trans-2-octene,CCCCC/C=C/C,5364448,Sandia values from independent API report ,Sandia,,C8H16,PubChem,,56.5,0,1.9914,3.96567396,39.2225,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1311.595663,1090.715309,849.680164,635.736027,447.02213,154.429632,18.289152,3885.475125,4800.404174,6060.218294,6004.453783,4921.312267,3644.358584,2627.961878,1656.593096,559.5073998,167.819552,166.665724,297.509884,365.04626,374.068624,270.473772,187.832648,145.87776,120.932352,29.42500648,37.33900896,51.13810539,54.24031728,46.76487335,34.40673565,24.72029948,17.36404786,8.003032287,3973.037281,3337.521256,6596.59581,8403.043401,9117.157939,6560.491976,4494.988761,3501.729441,3328.517736,42.27777778,49.91666667,72.66666667,84.83333333,78,59.5,43,33,18,48.76541633,52.3287937,31.22846817,20.9752944,15.73481785,16.30092377,16.55637519,7.353792,1.016064,161.8947969,208.713225,144.2909118,115.4702651,91.13541236,93.44509189,97.33192139,78.88538554,31.08374443,6.992481333,7.246335826,7.083568667,7.020120385,6.927196741,6.935224923,6.956764741,6.94656,6.718464,1.226041937,1.623435172,1.217573938,1.043083025,0.866016173,0.882223991,0.915566648,0.826859422,0.444612905,165.54322,145.1096198,157.061805,161.5969885,168.8362581,168.217743,166.4810652,166.749021,184.917652,1.761574074,2.170289855,1.73015873,1.631410256,1.444444444,1.525641026,1.592592593,1.571428571,1,0.047815485,-0.003793539,-0.016469145,-0.016125073,0.011846301,7.81E-04,-0.005070786,-0.006438871,0.011362642,645.6853813,-53.80711511,-121.066009,-269.0355756,80.71067267,40.35533633,-40.35533633,-201.7766817,242.132018,1200.679538,-100.0566282,-225.1274134,-500.283141,150.0849423,75.04247115,-75.04247115,-375.2123557,450.2548269,0.126485333,-0.010540444,-0.023716,-0.052702222,0.015810667,0.007905333,-0.007905333,-0.039526667,0.047432,5.367596186,-0.447299682,-1.006424285,-2.236498411,0.670949523,0.335474762,-0.335474762,-1.677373808,2.01284857,29.15686767,-2.429738973,-5.466912688,-12.14869486,3.644608459,1.822304229,-1.822304229,-9.111521147,10.93382538,3.939814815,-0.972415123,0.09837963,-2.094135802,1.008101852,0.255208333,0.185763889,-1.704282407,1.253472222,0.001992312,-1.65E-04,-3.92E-04,-3.10E-04,2.19E-04,2.00E-05,-1.88E-04,-3.07E-04,6.31E-04,26.90355756,-2.339439787,-2.882524024,-5.173761068,1.494642086,1.034752214,-1.494642086,-9.608413413,13.45177878,50.0283141,-4.350288182,-5.36017651,-9.620829634,2.779350783,1.924165927,-2.779350783,-17.86725503,25.01415705,0.005270222,-4.58E-04,-5.65E-04,-0.001013504,2.93E-04,2.03E-04,-2.93E-04,-0.001882222,0.002635111,0.223649841,-0.019447812,-0.023962483,-0.043009585,0.012424991,0.008601917,-0.012424991,-0.079874943,0.111824921,1.214869486,-0.105640825,-0.130164588,-0.233628747,0.067492749,0.046725749,-0.067492749,-0.433881959,0.607434743,0.164158951,-0.042278918,0.002342372,-0.040271842,0.018668553,0.006543803,0.006880144,-0.081156305,0.069637346,-0.082786468,-0.196817824,-0.1556471,0.110111245,0.010047969,-0.094265814,-0.153898043,0.316846916,-0.086956522,-0.107142857,-0.192307692,0.055555556,0.038461538,-0.055555556,-0.357142857,0.5,-0.086956522,-0.107142857,-0.192307692,0.055555556,0.038461538,-0.055555556,-0.357142857,0.5,-0.086956522,-0.107142857,-0.192307692,0.055555556,0.038461538,-0.055555556,-0.357142857,0.5,-0.086956522,-0.107142857,-0.192307692,0.055555556,0.038461538,-0.055555556,-0.357142857,0.5,-0.086956522,-0.107142857,-0.192307692,0.055555556,0.038461538,-0.055555556,-0.357142857,0.5,-0.257548664,0.014268927,-0.245322245,0.113722418,0.039862605,0.041911477,-0.494376364,0.424206816,1.405529948,1.270728779,1.193444245,0.671804315,0.990572248,1.219574825,0.968463328,0.00372783,1.5,1.232142857,1.202524038,0.798611111,0.829326923,0.958333333,1.232142857,0,1.5,1.232142857,1.202524038,0.798611111,0.829326923,0.958333333,1.232142857,0,1.5,1.232142857,1.202524038,0.798611111,0.829326923,0.958333333,1.232142857,0,1.5,1.232142857,1.202524038,0.798611111,0.829326923,0.958333333,1.232142857,0,1.5,1.232142857,1.202524038,0.798611111,0.829326923,0.958333333,1.232142857,0,1.685076381,0.932432432,1.23024948,0.665165165,0.920997921,1.009009009,1.667953668,0,37.77857459,18.88928729,30.0376205,37.77857459,4.722321824,18.88928731,-7.11E-15,0.009501707,0.001187713,-3.725027091,29.00062435,3.625078044,2.693853887,37.77857459,18.88928729,30.0376205,37.77857459,4.722321824,18.88928731,-7.11E-15,0.009501707,0.001187713,-3.725027091,29.00062435,3.625078044,2.693853887,37.77857459,18.88928729,30.0376205,37.77857459,4.722321824,18.88928731,-7.11E-15,0.009501707,0.001187713,-3.725027091,29.00062435,3.625078044,2.693853887,37.77857459,18.88928729,30.0376205,37.77857459,4.722321824,18.88928731,-7.11E-15,0.009501707,0.001187713,-3.725027091,29.00062435,3.625078044,2.693853887,37.77857459,18.88928729,30.0376205,37.77857459,4.722321824,18.88928731,-7.11E-15,0.009501707,0.001187713,-3.725027091,29.00062435,3.625078044,2.693853887,37.77857459,18.88928729,30.0376205,37.77857459,4.722321824,18.88928731,-7.11E-15,0.009501707,0.001187713,-3.725027091,29.00062435,3.625078044,2.693853887,46.61194574,23.20007009,37.76926883,46.45309157,5.806636446,23.20007009,-0.211805556,0.117599999,0.0147,-1.712373004,29.03798404,3.629748006,2.694883814,0,11.89,12.11011416,-0.164847976,0.055858775,5.295742905,7.612089197,7,23,22,22,6,1,1,0,0,1,17.491312,3.537884735,3.270297271,2.695619856,2.333552793,2.115082738,1.539019573,0.985220658,0.764390009,1.913012065,1.714663046,1.393770987,1.249629723,0.985309356,0.668223227,0.3802214,0.264853266,3.562254433,3.299378168,2.745266139,2.405454588,2.181232242,1.629434946,1.107450335,0.899337048,1.856422439,1.648432526,1.298622091,1.134540686,0.873485946,0.530728928,0.221965448,0.098298621,3.671076355,3.429154864,2.961063061,2.704236987,2.460876371,2.004091209,1.590861911,1.425799674,1.693116992,1.455380774,1.00330568,0.76031856,0.514083388,0.073780005,0.322833538,0.481338846,3.5802983,3.320913039,2.781771126,2.457539916,2.229456243,1.694974555,1.194622235,0.995114965,1.820654069,1.606376738,1.236619438,1.058262671,0.799682425,0.438805402,0.114889192,0.014817519,3.725022837,3.493287171,3.063471926,2.838982085,2.589032938,2.171041103,1.796015372,1.646037705,1.64325087,1.396007479,0.906973046,0.631337262,0.392020352,0.086880707,0.523368384,0.697607366,3.588862987,3.362520199,2.820142781,2.591598066,2.314697504,1.745377727,1.253426359,1.13828091,1.841457734,1.523254911,1.167191407,0.917179462,0.699311459,0.344713897,0.02386452,0.167183136,0,0,0,2,0,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.144337567,0.288675135,0.166666667,0.096225045,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,6.14626437,3.381880722,2.540232713,1.146385863,0.596225045,0.288675135,0.19245009,0,0.768283046,0.483125817,0.362890388,0.229277173,0.149056261,0.096225045,0.096225045,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,3,0,2,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.335694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.616527778,0,0,1.193194444,0.580555556,0,0.616527778,0,0,0,0,0,0,0,0,6.576712963,0,2.567962963,0,4.335694444,0,0.852962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.113472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.296319444,0,0,0.216944444,0.290277778,0,0.296319444,0,0,0,0,0,0,0,0,2.069768519,0,1.244212963,0,2.113472222,0,0.852962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.222222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.320208333,0,0,0.290277778,0.290277778,0,0.320208333,0,0,0,0,0,0,0,0,2.253472222,0,1.32375,0,2.222222222,0,0.852962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,1.791666667,0.320208333,2.253472222,0.216944444,0.852962963,5.655401852,0.48037037,0.253472222,1.824814815,0.48037037,0.253472222,1.824814815,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.375,0.125,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.25021,0.90628,8.40872,1.15852,0.14481,3.16649,0.39581,3.77005,0.60355,0.07544,0.14395,0.01799,0.14395,0.01799,0,7,0,0,0,0,0,0,0.75,0.918295834,2.114005463,3.40726823,3.490601563,3.490601563,3.164348438,22.03910002,50.73613111,81.77443751,83.77443751,83.77443751,75.94436251,0.200284263,0.461073665,0.743139825,0.761315182,0.761315182,0.690157976,3.666666667,2.470957038,1.177694271,1.094360938,1.094360938,1.420614063,0.200284263,0.461073665,0.743139825,0.761315182,0.761315182,0.690157976,6.73287657,17.09808847,19.31748564,19.40147106,19.40147106,16.97271874,31.59900002,18.70284314,16.57092761,16.35551406,16.35551406,15.61654167,8,5.142857143,7.2,8,2,7,2.34,1.1928,0.721124785,4.146039495,1.754410643,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,3.478,7,5,4,3,2,0,0,0,0,36,2.197224577,2.302585093,2.079441542,1.945910149,1.945910149,1.609437912,0,0,0,0,3.891820298,1.333333333,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,0,144.287877,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,112.1252005,4.671883355,14.66595917,1.833244896,0,0,0,79,5,4.42,28,1.215558759,2.114243067,2.932463888,3.618433126,4.727066027,5.894020141,7.042601509,7.791312229,0,0,74.75179796,75.6783367,71.66830273,71.49891935,92.64124476,112.3946908,54.38909115,7.916471868,0,0,279.7385924,332.8101627,365.4678278,376.7808203,492.5513311,623.6481407,575.1630121,242.1831581,0,0,8.844003262,15.03995668,20.63840415,25.1939952,32.92393174,41.14749159,49.01540195,52.34565072,0,0,2.114641681,2.744103743,3.21613147,3.437071722,4.499810657,5.724734481,5.980010497,3.464117963,0,0,174.1693573,327.4850675,470.2551458,601.3672153,784.6852707,970.4184158,1166.895486,1440.751164,0,0,2.720231345,3.809285515,4.910357858,5.528613583,7.566711757,9.767596988,11.30130272,7.791312229,0,0,0.438236045,0.578356115,0.685812707,0.738654924,0.967153076,1.230436778,1.307159681,0.797830372,0,0,360.2796781,172.78874,10.72490123,102.6483984,-49.22977479,-6.70262732,257.6312797,222.0185148,17.42752855,0.778262751,0.373251805,0.023167532,0.221737249,-0.106344327,-0.014478766,166.7835784,79.98875904,4.964857895,47.51882561,-22.78984495,-3.102834373,0.118614731,0.189809763,2.39833674,5.748398409,462.9280765,0,1,0,455.2176228,21.33582955,7.692597726,615.5411225,24.81010122,8.506528421,712.9150312,26.70046874,8.933313817,2.401599767,2.401599767,804.9432994,755.8096095,83.16611923,1.065008025,9.678740656,9.087950917,4.552909013,4.702695858,9.275217197,0.972319171,6.573787565,5.70447275,3.236383279,19.54550931,10.75967378,5.300984005,5.483525911,5.916470024,10.36335857,2.397297265,4.197154932,4.828105838,1.503766642,6.376796201,0.810824021,4.053426325,5.14E-04,0.006391855,1.53E-23,7.11E-66,6.35E-130,1.09E-215,3.5E-323,0,0,0,0,0,0,0,0.551699841,5.696833906,0.235084097,6.725063588,0.991221351,0.440825551,0.937065982,0.523974913,3.175738701,0.270166886,0.103708129,0.425970436,0.046693338,1.184662876,0.006306398,0.09014097,3.62E-06,4.50E-05,1.08E-25,5.01E-68,4.47E-132,7.71E-218,0,0,0,0,0,0,0,0,1.780936332,5.697344496,0.782946247,7.627107285,1.66741235,1.424759404,1.713769188,1.039037198,4.026573056,0.64253264,0.497323541,1.209929981,0.201845365,1.846338758,0.061040359,0.455741235,3.77E-05,4.69E-04,1.13E-24,5.22E-67,4.66E-131,8.03E-217,4.9E-324,0,0,0,0,0,0,0,6.20511967,5.703634124,3.029733475,18.15398215,9.695476851,5.000573134,5.151660698,5.379157901,9.70530683,2.245203557,3.790211781,4.518064992,1.36423606,5.918085513,0.722839779,3.653939869,4.58E-04,0.005695027,1.37E-23,6.33E-66,5.66E-130,9.75E-216,3.0E-323,0,0,0,0,0,0,0,2.624768647,5.698006369,1.178267101,8.755516146,2.522866018,2.10261255,2.291883469,1.566506163,4.793639986,0.916507744,0.898750607,1.782123756,0.350594592,2.418777253,0.131121941,0.838366254,8.19E-05,0.001019004,2.45E-24,1.13E-66,1.01E-130,1.74E-216,4.9E-324,0,0,0,0,0,0,0,7.938798842,5.707999027,4.027529819,25.38653473,15.22922755,6.416535107,6.773057478,8.141140746,13.04738558,2.985266177,5.881400568,6.02208365,2.077531065,8.235122283,1.180567631,5.710644167,7.49E-04,0.009321919,2.24E-23,1.04E-65,9.26E-130,1.60E-215,4.9E-323,0,0,0,0,0,0,0,3.772732087,4.981766026,1.725058706,10.62861005,3.961267226,2.947956738,3.056336095,2.536889913,6.126017759,1.422950459,1.582910482,2.559877776,0.583111821,3.657663186,0.255001472,1.512296169,1.60E-04,0.001991189,4.78E-24,2.21E-66,1.98E-130,3.41E-216,1.0E-323,0,0,0,0,0,0,0,7.759854612,1.162044262,0.503554284,0.823287165,0.123287893,0.537075987,0.484983676,0.327112997,9.425453157,13.50995492,27.47610536,0.734930748,1.34917266,6.605106145,0.589893947,0.15304151,0.898893406,0.08027907,0.389110029,0.121879056,0.029436861,7.348041602,4.997445809,12.9417849,0.848340109,0.540425945,7.063685067,0.816583878,0.292853096,0.864257873,0.099910888,0.445016988,0.236151981,0.109316837,8.173122041,8.075852501,17.93817795,0.796386809,0.790485805,7.731261536,1.147835691,0.494925073,0.824753909,0.122448577,0.533124254,0.472956948,0.315885557,9.3740223,13.26870577,27.03480103,0.737130864,1.32196676,7.268114478,0.917904195,0.35487568,0.85097815,0.107471672,0.471151202,0.29973528,0.161231011,8.540894353,9.576451714,20.48487531,0.776467225,0.932117492,7.849373314,1.206536317,0.530559808,0.818797094,0.125858255,0.549542566,0.52364174,0.363523807,9.586469439,14.27525565,28.88642038,0.72819564,1.436708113,7.753840424,1.149517148,0.49490444,0.825029182,0.122311673,0.536250514,0.474264459,0.315784843,9.398262012,13.31948372,27.12891439,0.737543774,1.326299815 +UMLMON0306,L,6-methyl-2-heptene,C/C=C/CCC(C)C,5364870,,UML,[1],C8H16,PubChem,,65.5,0,0.1642,0.02696164,33.9174,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1349.023542,784.154955,341.197081,87.883488,9.144576,0,3885.475125,5223.921076,7758.63172,7616.018954,5372.71753,2869.090631,1154.675865,279.7536999,0,167.819552,174.20624,341.883496,470.237784,449.544684,288.585892,143.482752,60.466176,0,29.42500648,40.12790896,63.51436973,69.27418059,53.32491663,30.38306877,13.35045943,4.001516144,0,3973.037281,3464.315612,7404.551417,10832.52895,11018.60478,7263.286629,3692.500067,1664.258868,0,36.55555556,44.58333333,74.77777778,96.91666667,86.33333333,54,27,9,0,48.76541633,56.15943233,37.32917321,20.13467973,12.06392238,8.123740024,4.184928,1.016064,0,161.8947969,217.6633782,161.6381608,113.6719247,82.65719278,68.31168168,54.98456499,31.08374443,0,6.992481333,7.258593333,7.122572833,7.018474388,6.916072062,6.871092667,6.832512,6.718464,0,1.226041937,1.671996207,1.323216036,1.033942994,0.820383333,0.723406399,0.635736163,0.444612905,0,165.54322,144.3464838,154.2614879,161.6795365,169.5169966,172.9353959,175.8333365,184.917652,0,1.523148148,1.857638889,1.55787037,1.446517413,1.328205128,1.285714286,1.285714286,1,0,0.032255029,-0.003035682,-0.005196084,-0.015953261,-1.14E-04,0.002817482,5.75E-04,0.004778912,0,645.6853813,5.47E-13,-80.71067267,-390.1015846,-53.80711511,40.35533633,40.35533633,121.066009,0,1200.679538,0,-150.0849423,-725.4105544,-100.0566282,75.04247115,75.04247115,225.1274134,0,0.126485333,2.94E-15,-0.015810667,-0.076418222,-0.010540444,0.007905333,0.007905333,0.023716,0,5.367596186,1.23E-14,-0.670949523,-3.242922696,-0.447299682,0.335474762,0.335474762,1.006424285,0,29.15686767,-1.14E-13,-3.644608459,-17.61560755,-2.429738973,1.822304229,1.822304229,5.466912688,0,2.314814815,-0.805555556,-0.074074074,-0.596450617,-0.097993827,0.449074074,-0.372685185,0.340277778,0,0.00134396,-1.26E-04,-1.08E-04,-2.38E-04,-1.76E-06,6.71E-05,2.74E-05,5.31E-04,0,26.90355756,2.28E-14,-1.681472347,-5.82241171,-0.827801771,0.960841341,1.921682683,13.45177878,0,50.0283141,0,-3.126769631,-10.8270232,-1.539332741,1.786725503,3.573451007,25.01415705,0,0.005270222,1.22E-16,-3.29E-04,-0.00114057,-1.62E-04,1.88E-04,3.76E-04,0.002635111,0,0.223649841,5.11E-16,-0.013978115,-0.048401831,-0.006881534,0.007987494,0.015974989,0.111824921,0,1.214869486,-4.74E-15,-0.075929343,-0.262919516,-0.0373806,0.043388196,0.086776392,0.607434743,0,0.096450617,-0.033564815,-0.00154321,-0.008902248,-0.001507597,0.01069224,-0.017746914,0.037808642,0,-0.094115011,-0.080546888,-0.177169306,-0.001306367,0.04991438,0.020381865,0.395093903,0,8.47E-16,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,0,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,2.32E-14,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,2.29E-15,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,-3.90E-15,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,-0.348,-0.016,-0.092298507,-0.015630769,0.110857143,-0.184,0.392,0,1.532779925,1.175602848,1.172861416,0.87034063,0.749025336,0.770059161,2.03E-05,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.8745,0.874,0.98041791,0.917169231,0.808285714,1.419428571,0,0,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,37.70519329,18.76231887,28.28933508,37.56977663,4.696222078,18.76231889,-0.180555556,0.079288157,0.00991102,-2.027733207,56.65885442,7.082356803,3.229638621,0,11.89,12.11011416,-0.163178056,0.057765027,5.47158872,8.391632439,8,24,24,24,8,0,0,0,0,0,17.491312,3.685989082,3.092821346,2.670943536,2.40090396,2.000350245,1.589017011,0.972022278,0.877194925,1.854241345,1.794539264,1.463589589,1.210734547,0.840676949,0.71947014,0.415151155,0.31945483,3.708521786,3.130308654,2.72129108,2.454611113,2.073125205,1.683813318,1.096376447,1.007695685,1.795418836,1.731647105,1.373528225,1.101293988,0.709085526,0.580517984,0.262315689,0.15462472,3.807905188,3.295836556,2.940502477,2.688356131,2.378721148,2.071155971,1.585579761,1.517481683,1.625089618,1.547459617,1.093912816,0.749844632,0.275686454,0.118286354,0.255749329,0.420338663,3.725133284,3.157994439,2.758334749,2.494130403,2.1260559,1.752167903,1.184872557,1.100332526,1.758190234,1.691652068,1.31486169,1.02906644,0.62139989,0.487591374,0.159423307,0.042618796,3.856582478,3.376213844,3.044680986,2.799242275,2.517788375,2.241595679,1.792298982,1.731344475,1.572877276,1.490407446,1.002393698,0.630707167,0.124872429,0.044424808,0.442305666,0.635939031,3.707159954,3.267489491,2.900482527,2.553728022,2.242082571,1.881001293,1.321967784,1.245365857,1.738938112,1.653368489,1.168678753,0.839162578,0.459893957,0.338590232,0.007169394,0.139155595,0,0,0,0,0,2,4,2,0,0,0,0.11785113,0.201184464,0.166666667,0,0,0.11785113,0.201184464,0.166666667,0.49279928,0,0,0,0.49279928,0,0,0,0.837103655,1.101444348,0.819035594,0.837103655,1.101444348,0.819035594,5.983127663,3.825698503,3.192497939,2.380766767,1.695748723,0.922588984,0.284517797,0,0.747890958,0.478212313,0.319249794,0.216433342,0.141312394,0.115323623,0.094839266,0,5.983127663,3.825698503,3.192497939,2.380766767,1.695748723,0.922588984,0.284517797,0,0.747890958,0.478212313,0.319249794,0.216433342,0.141312394,0.115323623,0.094839266,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,27.61847035,38.59269479,55.2369407,6.904617587,27.61847035,0.056518783,0.007064848,-2.298545802,32.88720351,4.110900438,2.794466905,59,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.678935185,0,5.885925926,0,0,0,2.101805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.308240741,0,1.407083333,0,0,0,1.027731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.497685185,0,0,0,1.074074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.370694444,0.2,1.027731481,5.751583657,0.305601852,0.370694444,1.35787037,0.305601852,0.370694444,1.35787037,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.29657,1.03707,8.29657,0,0,3.82569,0.47821,3.82569,0,0,0.08831,0.01104,0.17431,0.02179,0.208333333,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.772055209,3.522055209,3.371653522,3.538320189,22.03910002,34.03910002,66.52932501,84.52932501,80.91968454,84.91968454,0.200284263,0.309336409,0.604597139,0.768175358,0.735372104,0.77172282,3.666666667,3.166666667,1.812907292,1.062907292,1.213308978,1.046642312,0.200284263,0.309336409,0.604597139,0.768175358,0.735372104,0.77172282,6.73287657,12.73287657,18.67730206,18.51715625,18.36557767,20.36557767,31.59900002,23.74937501,18.28646667,17.30526354,17.74824261,15.16328011,6.125,2.52,1.487603306,2,0,2,2.34,1.1272,0.2,3.150627212,1.807204007,0,3.14734519,5.863977986,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,11,12,8,3,0,0,0,0,60,2.197224577,2.397895273,2.48490665,2.564949357,2.197224577,1.386294361,0,0,0,0,4.110873864,1,0.4,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,3,0.375,0,3,5,0.666666667,2,0.666666667,0.569444444,0.205,0,0,0,0,0,0,0.25,0.066666667,0.094907407,0.068333333,0,0,0,0,0,0,0.479907407,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,0,134.567877,4,3.610917913,4.369447852,5.176149733,5.958424693,6.767343125,7.556427969,8.363808885,9.155989777,9.961614941,76.92012489,2.833213344,0,4.043051268,2.397895273,5.424950017,4.59511985,6.876264612,6.529418838,8.365672384,8.758255243,112.1252005,4.671883355,15.46568272,1.93321034,0,0,0,63,6,4.43,36,1.331436567,2.359396726,3.243611672,4.055944433,4.938835536,5.999901781,7.123235952,0,0,0,94.01800751,103.5980495,75.70316523,58.05997243,47.61186938,27.67860672,7.237663614,0,0,0,334.770918,424.0756512,400.5964559,365.3990016,368.3766294,349.2817916,221.4168458,0,0,0,9.725938808,16.89518985,22.84635661,28.13594281,34.04417173,41.08687589,47.85720431,0,0,0,2.47012952,3.377681623,3.55504946,3.523827429,3.791231275,3.969325409,3.167082628,0,0,0,188.3541604,357.5733739,518.4589114,681.2156734,845.6918415,1047.616799,1317.212067,0,0,0,2.537543875,3.815804947,4.835444498,5.532364657,6.570710313,7.945828732,7.123235952,0,0,0,0.509638069,0.707345234,0.758849995,0.763852018,0.830483224,0.882149491,0.729419361,0,0,0,328.6451491,135.0551261,8.349943121,55.91570229,-22.97828599,-2.885702759,272.7294468,158.0334121,11.23564588,0.854598558,0.351193122,0.021712931,0.145401442,-0.059752016,-0.007503891,126.3840583,51.93691427,3.211061236,21.50299008,-8.836549222,-1.10972831,0.072708993,0.158000752,0.855707029,1.455890798,384.5608514,0,1,0,402.4237007,20.06050101,7.38291469,557.416278,23.60966493,8.229874559,659.8870066,25.68826593,8.706090801,1.406004067,1.039522121,585.9369575,563.6149656,143.3950696,1.039605038,4.086172273,3.930504495,4.502940619,4.389230947,8.333691565,0.898667823,4.462408855,4.441389222,3.592736028,11.49991877,11.00654551,8.182941316,6.528102446,12.83442988,6.097572568,2.642034858,2.099626353,4.67603053,1.3056939,1.89253498,0.418192817,0.062922621,5.23E-20,8.39E-60,2.60E-121,1.55E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0.374499053,4.441098655,0.777061924,4.313564792,1.17147997,3.313757666,0.275858435,0.684410461,0.504494822,0.107869506,0.748566068,1.19545768,0.016617002,0.058445993,0.002945367,4.43E-04,3.69E-22,5.91E-62,1.83E-123,1.09E-206,1.2563210686816E-311,0,0,0,0,0,0,0,0,0,1.208928595,4.441118701,1.13319838,5.488603258,2.438158763,4.009744988,0.98453492,2.148921433,1.119785668,0.42323995,0.906531824,1.70902662,0.114896254,0.254814924,0.030692989,0.004618164,3.84E-21,6.16E-61,1.91E-122,1.14E-205,1.30918341642953E-310,0,0,0,0,0,0,0,0,0,4.212149946,4.441357544,3.343028098,10.95672861,10.14235538,7.779460263,5.944567763,11.73134043,5.568954119,2.415467158,1.97523656,4.39329913,1.168459482,1.717280127,0.372602272,0.056062923,4.66E-20,7.48E-60,2.31E-121,1.38E-204,0.00E+00,0,0,0,0,0,0,0,0,0,1.781738316,4.441144121,1.442582545,6.381886512,3.527673018,4.57597615,1.639533428,3.455805175,1.698455345,0.699682161,1.049951913,2.120036368,0.231308908,0.442470219,0.066669272,0.01003127,8.34E-21,1.34E-60,4.14E-122,2.47E-205,2.84372132224983E-310,0,0,0,0,0,0,0,0,0,5.389004952,4.441522287,4.605099476,13.62833632,14.5038412,9.79651602,8.916635685,17.32660223,8.266241033,3.562014103,2.60750897,5.80194365,1.880026948,2.6129262,0.609894919,0.09176673,7.63E-20,1.22E-59,3.79E-121,2.26E-204,0.00E+00,0,0,0,0,0,0,0,0,0,2.966698408,4.244077618,1.951652004,7.535962332,5.785041382,5.810049988,3.075716652,6.429794715,3.06708517,1.358821736,1.474957681,3.68222592,0.559331849,0.989005156,0.16681376,0.025099328,2.09E-20,3.35E-60,1.04E-121,6.18E-205,7.11529978875355E-310,0,0,0,0,0,0,0,0,0,5.436042046,1.246093516,1.071882018,0.701061352,0.160702952,0.499747203,0.360810018,0.522243898,7.75401758,13.9362777,28.95102764,0.551592028,1.382801119,4.492964474,0.739842273,0.54278748,0.777922461,0.128098035,0.342827396,0.128008532,0.132016071,5.775594227,6.164387036,13.74425301,0.666883691,0.602851999,4.866921714,0.940787412,0.753650639,0.741755046,0.143382995,0.401470442,0.206444744,0.256709458,6.561359766,8.955722379,18.96785148,0.612632569,0.864624644,5.412636675,1.233547336,1.058853382,0.702480261,0.160096217,0.495489931,0.353633417,0.509590617,7.705037392,13.71407797,28.48880785,0.553720391,1.358713965,5.033876407,1.030406656,0.847324744,0.728322056,0.149083496,0.42916871,0.247366767,0.325323878,6.911607808,10.32535685,21.63198706,0.592483084,1.001859356,5.509334951,1.285376817,1.112649703,0.696734931,0.162554453,0.513198557,0.383741699,0.562795101,7.907361472,14.64170546,30.42837527,0.545102397,1.459735357,5.438561603,1.234521359,1.061890348,0.70311317,0.159602536,0.500166534,0.354139352,0.512676693,7.73497331,13.80010285,28.66462968,0.554669755,1.36698258 +UMLMON0307,L,trans-1-methyl-3-ethyl-cyclopentane,CC[C@@H]1CC[C@H](C1)C,6432281,Sandia values from independent API report ,Sandia,,C8H16,UML,,59.8,0,1.528,2.334784,34.3257,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1410.479624,1313.632662,593.499481,121.4136,9.144576,0,0,3461.958223,4376.887272,6118.039963,7044.624533,5474.660402,2180.439431,279.7536999,0,0,160.279036,159.125208,296.735264,382.099416,498.123172,365.192064,60.466176,0,0,26.63610648,34.55010896,50.80666687,62.15635002,57.10008402,28.02268529,4.001516144,0,0,3846.242925,3210.7269,6665.652931,8492.189678,12174.9141,9794.782583,1664.258868,0,0,38.0625,44.75,66.75,93.5,106,60,9,0,0,44.61329874,48.14991518,33.58284819,24.32653078,8.243048347,2.2484,1.016064,0,0,150.5199227,198.9494215,145.6676182,130.4560099,76.03695003,40.37850798,31.08374443,0,0,6.968653739,7.232964,7.065125333,7.075915111,6.918377389,6.762816,6.718464,0,0,1.158091586,1.570459498,1.209682544,1.151043519,0.793056722,0.518938617,0.444612905,0,0,167.2279533,145.9421318,158.7060222,157.2627718,169.0960292,181.3848627,184.917652,0,0,1.654891304,2.034090909,1.589285714,1.731481481,1.472222222,1.111111111,1,0,0,0.031306772,-0.008413449,0.008081882,-0.016402808,-0.021579506,0.017901895,0.004758601,0,0,589.5388264,-58.58770946,113.0559706,-436.6615221,-397.9844795,384.4818433,100.9264839,0,0,1096.272622,-108.9463475,210.232405,-811.9907464,-740.0691342,714.9604056,187.6771065,0,0,0.115486609,-0.01147693,0.022146888,-0.085538994,-0.077962427,0.075317353,0.019770805,0,0,4.900848691,-0.487040864,0.939836667,-3.629976438,-3.308453367,3.196205668,0.839003988,0,0,26.62148787,-2.645613702,5.10520769,-19.71808962,-17.9715712,17.36183992,4.557482978,0,0,3.364130435,-1.89721172,1.144848771,-0.061436673,-2.781190926,1.44399811,0.468927221,0,0,0.001361164,-3.82E-04,1.92E-04,-3.04E-04,-3.00E-04,3.32E-04,5.29E-04,0,0,25.63212289,-2.663077703,2.691808824,-8.086324483,-5.527562215,7.120034136,11.21405376,0,0,47.66402704,-4.952106706,5.005533452,-15.03686567,-10.27873797,13.24000751,20.85301183,0,0,0.005021157,-5.22E-04,5.27E-04,-0.001584055,-0.001082811,0.001394766,0.002196756,0,0,0.213080378,-0.022138221,0.022377063,-0.067221786,-0.045950741,0.059188994,0.093222665,0,0,1.157455995,-0.120255168,0.121552564,-0.365149808,-0.249605156,0.321515554,0.506386998,0,0,0.146266541,-0.086236896,0.027258304,-0.001137716,-0.038627652,0.026740706,0.052103025,0,0,-0.280957707,0.141368531,-0.223158782,-0.220190485,0.243553729,0.388442115,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.589587311,0.186360489,-0.007778376,-0.264090827,0.182821756,0.356219709,0,0,1.820571573,0.87386498,1.385409186,1.182266495,0.302033566,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,2.192245557,0.642280175,1.142912703,1.339705618,0.363309998,0,0,0,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,35.39635054,17.5815086,25.27166631,35.22968387,5.032811982,17.58150865,-0.233333333,1.22E-15,1.74E-16,-24.03723371,4000004.07,571429.1528,10.64126416,0,11.89,12.11009426,-0.167985522,0.052561797,5.591467234,8.899502724,6,22,22,22,6,0,0,0,0,0,17.491312,3.574978343,2.902564078,2.685171409,2.333552793,1.799662052,1.598026915,0.443021474,0.083923071,1.942186947,1.563026335,1.43543247,1.249629723,0.873444649,0.769718516,0.083923071,0.083923071,3.598605629,2.950308951,2.74069663,2.405454588,1.886405282,1.695309721,0.55220905,0.270913902,1.886429748,1.473453684,1.336134217,1.134540686,0.74261092,0.630337185,0.270913902,0.270913902,3.704581195,3.155598408,2.977445718,2.704236987,2.243010376,2.090117344,0.964952634,0.943918427,1.726127666,1.195492746,1.023013433,0.76031856,0.309093543,0.162386152,0.943918427,0.943918427,3.616126269,2.985267979,2.781255866,2.457539916,1.949059228,1.765276817,0.628971729,0.399277246,1.85123465,1.415133181,1.271070023,1.058262671,0.655276683,0.536857124,0.399277246,0.399277246,3.757360594,3.252217518,3.087536905,2.838982085,2.401293357,2.26277616,1.207644823,1.207644823,1.677416459,1.104407163,0.918752736,0.631337262,0.156681707,0.004703131,1.129594515,1.207644823,3.577637728,3.061422362,2.899211901,2.612600818,2.030943263,1.838196629,0.625239344,0.571428571,1.875379131,1.325313653,1.140967173,0.898315104,0.545257359,0.431448195,0.571428571,0.571428571,0,0,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,0,0,1.207106781,0.25,0,0,1.207106781,0.25,0,0,1.707106781,1,0,1.707106781,1,0,5.914213562,3.121320344,2.871320344,1.914213562,0.25,0,0,0,0.844887652,0.520220057,0.358915043,0.319035594,0.25,0,0,0,5.914213562,3.121320344,2.871320344,1.914213562,0.25,0,0,0,0.844887652,0.520220057,0.358915043,0.319035594,0.25,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,34,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,9.076388889,0,2.590277778,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.239583333,0,1.295138889,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.298611111,0,1.295138889,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.25,1.75,0.2,2.298611111,0,0.583333333,5.312430556,0.666666667,0.298611111,2.152777778,0.666666667,0.298611111,2.152777778,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.57143,0,0.14286,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.84027,1.12004,7.84027,0,0,3.12132,0.4459,3.12132,0,0,0.29268,0.04181,0.29268,0.04181,0,6,0,0,0,0,0,0,1,0.886540893,1.306170652,2.044451086,2.566190217,2.36951361,1.756720226,20.39044053,30.04192499,47.02237498,59.02237498,54.49881302,40.4045652,0.195982923,0.288748262,0.451956026,0.567294146,0.523815885,0.388348882,3.637021063,3.217391304,2.47911087,1.95737174,2.154048346,2.76684173,0.19880132,0.292900702,0.45845553,0.575452308,0.531348793,0.393933662,6.634953582,11.67051069,14.32625079,14.85207255,12.49195327,5.138432664,27.76507516,21.21742031,19.84231067,20.03452107,18.85446143,11.50094083,7,2.34375,2.666666667,7,0,5,2.23,1.0949,2.039648903,4.298279727,0,2.828427125,0.5,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,2.855,8,6,1,0,0,0,0,0,0,28,1.945910149,2.197224577,1.945910149,0.693147181,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,3,1.111111111,0.125,0,0,0,0,0,0,0,0.5,0.138888889,0.020833333,0,0,0,0,0,0,0,0.659722222,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,0,129.6283511,3.807354922,3.36729583,4.043051268,4.844187086,5.549076085,6.354370041,7.063903961,7.870547845,8.580918882,9.387900612,70.06125161,2.564949357,0,3.80666249,0,5.262690189,0,6.767343125,0,8.282230063,8.532278829,100.1252005,4.353269587,12.44270382,1.777529117,0,0,0,44,6,4.299,28,1.224818182,2.110039005,2.924159227,3.474757511,3.952964644,5.71185753,0,0,0,0,69.72220731,81.39693149,76.11385697,31.90081193,10.61486373,5.803612809,0,0,0,0,268.787596,337.4239973,396.2765835,274.4580573,172.6406646,177.5459197,0,0,0,0,8.893455721,14.97568724,20.72699372,24.06670898,26.79532824,38.37490919,0,0,0,0,2.059771149,2.735845826,3.457950507,2.821098814,2.155507404,2.539565568,0,0,0,0,176.6115071,329.9879212,457.2457905,585.5682262,712.0570339,1056.223283,0,0,0,0,2.538829545,3.501396601,5.152654435,5.169126467,4.547896064,5.71185753,0,0,0,0,0.427911136,0.575376064,0.73538305,0.616797951,0.486646143,0.584894211,0,0,0,0,351.2538824,135.6087776,8.422640101,123.6246489,-47.72783548,-7.249936546,227.6292335,183.336613,15.67257665,0.739671009,0.285565189,0.01773641,0.260328991,-0.100505355,-0.015266928,166.8029278,64.39769712,3.999730961,58.7066917,-22.66492441,-3.442839219,0.06936215,0.167822642,1.367179659,8.42336208,474.8785313,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,651.8861034,25.53206031,8.670761509,1.600376192,1.20582466,301.9411244,301.0866254,117.3617398,1.00283805,2.572738994,2.565458095,3.7171057,3.220194404,6.42424645,0.994987148,4.462408855,5.691187203,2.528752837,30.60273147,5.933777466,9.998374675,9.367718843,8.391585578,4.005473465,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851897,0.149881511,8.932443656,2.023351974,0.331592865,0.652671376,0.333439406,0.957409077,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690874933,0.524912857,11.8618731,2.301177387,1.404778953,1.996587945,1.320719156,1.162491535,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691150612,2.344012169,28.7475861,5.510292301,9.088187436,8.680297607,7.665648812,3.67131965,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690904229,0.815183813,14.31641578,2.64640617,2.408719208,3.048308136,2.193698832,1.4271176,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691340921,3.257168424,38.07157851,7.710774744,13.72990057,12.08766339,11.34352843,5.410230557,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.732087054,4.568276431,1.078605138,18.19740676,3.907136712,4.373030767,4.932270683,3.322899843,2.227401361,1.559038414,0.053081045,0.367905486,2.62E-15,3.60E-51,9.54E-109,4.88E-188,4.81E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.143134216,1.083373056,1.042643022,0.596516334,0.205606786,0.457022849,0.472182242,0.451937121,5.269150294,7.811925237,16.63146991,0.394774501,1.381142212,2.425158869,0.590249567,0.584676146,0.673639414,0.163954361,0.272077387,0.140160268,0.142114195,3.600084582,3.194486356,7.631505007,0.510459121,0.55435185,2.722543607,0.794500869,0.774365612,0.634417022,0.185137485,0.342895472,0.253946564,0.24928655,4.291410088,4.88654156,10.85295345,0.451625533,0.846128586,3.12654359,1.071978198,1.032060545,0.597742926,0.204944331,0.452210911,0.462301704,0.442809658,5.230582334,7.684715251,16.37433784,0.396614389,1.357322272,2.849753172,0.881871591,0.855507349,0.621249422,0.192249006,0.375687333,0.312870267,0.304266557,4.587132112,5.705548772,12.4426704,0.431874133,0.992824157,3.194714628,1.118799778,1.07554404,0.59281499,0.207605798,0.472145876,0.503568241,0.480909248,5.389058445,8.213620724,17.44693817,0.389222485,1.456623365,3.134797151,1.075002078,1.032151288,0.598021126,0.205076731,0.454601587,0.464913542,0.442887528,5.241950518,7.71506315,16.43527418,0.397031689,1.362402657 +UMLMON0308,L,"3,3-dimethylpentane",CCC(C)(C)CC,91105762,Sandia values from independent api report ,Sandia,,C7H15+,UML,,86.6,0,1.528,2.334784,34.3257,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1410.479624,1313.632662,593.499481,121.4136,9.144576,0,0,3461.958223,4376.887272,6118.039963,7044.624533,5474.660402,2180.439431,279.7536999,0,0,160.279036,159.125208,296.735264,382.099416,498.123172,365.192064,60.466176,0,0,26.63610648,34.55010896,50.80666687,62.15635002,57.10008402,28.02268529,4.001516144,0,0,3846.242925,3210.7269,6665.652931,8492.189678,12174.9141,9794.782583,1664.258868,0,0,38.0625,44.75,66.75,93.5,106,60,9,0,0,44.61329874,48.14991518,33.58284819,24.32653078,8.243048347,2.2484,1.016064,0,0,150.5199227,198.9494215,145.6676182,130.4560099,76.03695003,40.37850798,31.08374443,0,0,6.968653739,7.232964,7.065125333,7.075915111,6.918377389,6.762816,6.718464,0,0,1.158091586,1.570459498,1.209682544,1.151043519,0.793056722,0.518938617,0.444612905,0,0,167.2279533,145.9421318,158.7060222,157.2627718,169.0960292,181.3848627,184.917652,0,0,1.654891304,2.034090909,1.589285714,1.731481481,1.472222222,1.111111111,1,0,0,0.031306772,-0.008413449,0.008081882,-0.016402808,-0.021579506,0.017901895,0.004758601,0,0,589.5388264,-58.58770946,113.0559706,-436.6615221,-397.9844795,384.4818433,100.9264839,0,0,1096.272622,-108.9463475,210.232405,-811.9907464,-740.0691342,714.9604056,187.6771065,0,0,0.115486609,-0.01147693,0.022146888,-0.085538994,-0.077962427,0.075317353,0.019770805,0,0,4.900848691,-0.487040864,0.939836667,-3.629976438,-3.308453367,3.196205668,0.839003988,0,0,26.62148787,-2.645613702,5.10520769,-19.71808962,-17.9715712,17.36183992,4.557482978,0,0,3.364130435,-1.89721172,1.144848771,-0.061436673,-2.781190926,1.44399811,0.468927221,0,0,0.001361164,-3.82E-04,1.92E-04,-3.04E-04,-3.00E-04,3.32E-04,5.29E-04,0,0,25.63212289,-2.663077703,2.691808824,-8.086324483,-5.527562215,7.120034136,11.21405376,0,0,47.66402704,-4.952106706,5.005533452,-15.03686567,-10.27873797,13.24000751,20.85301183,0,0,0.005021157,-5.22E-04,5.27E-04,-0.001584055,-0.001082811,0.001394766,0.002196756,0,0,0.213080378,-0.022138221,0.022377063,-0.067221786,-0.045950741,0.059188994,0.093222665,0,0,1.157455995,-0.120255168,0.121552564,-0.365149808,-0.249605156,0.321515554,0.506386998,0,0,0.146266541,-0.086236896,0.027258304,-0.001137716,-0.038627652,0.026740706,0.052103025,0,0,-0.280957707,0.141368531,-0.223158782,-0.220190485,0.243553729,0.388442115,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.589587311,0.186360489,-0.007778376,-0.264090827,0.182821756,0.356219709,0,0,1.820571573,0.87386498,1.385409186,1.182266495,0.302033566,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,2.192245557,0.642280175,1.142912703,1.339705618,0.363309998,0,0,0,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,35.39635054,17.5815086,25.27166631,35.22968387,5.032811982,17.58150865,-0.233333333,1.22E-15,1.74E-16,-24.03723371,4000004.07,571429.1528,10.64126416,0,11.89,12.11009426,-0.167985522,0.052561797,5.591467234,8.899502724,6,22,22,22,6,0,0,0,0,0,17.491312,3.574978343,2.902564078,2.685171409,2.333552793,1.799662052,1.598026915,0.443021474,0.083923071,1.942186947,1.563026335,1.43543247,1.249629723,0.873444649,0.769718516,0.083923071,0.083923071,3.598605629,2.950308951,2.74069663,2.405454588,1.886405282,1.695309721,0.55220905,0.270913902,1.886429748,1.473453684,1.336134217,1.134540686,0.74261092,0.630337185,0.270913902,0.270913902,3.704581195,3.155598408,2.977445718,2.704236987,2.243010376,2.090117344,0.964952634,0.943918427,1.726127666,1.195492746,1.023013433,0.76031856,0.309093543,0.162386152,0.943918427,0.943918427,3.616126269,2.985267979,2.781255866,2.457539916,1.949059228,1.765276817,0.628971729,0.399277246,1.85123465,1.415133181,1.271070023,1.058262671,0.655276683,0.536857124,0.399277246,0.399277246,3.757360594,3.252217518,3.087536905,2.838982085,2.401293357,2.26277616,1.207644823,1.207644823,1.677416459,1.104407163,0.918752736,0.631337262,0.156681707,0.004703131,1.129594515,1.207644823,3.577637728,3.061422362,2.899211901,2.612600818,2.030943263,1.838196629,0.625239344,0.571428571,1.875379131,1.325313653,1.140967173,0.898315104,0.545257359,0.431448195,0.571428571,0.571428571,0,0,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,0,0,1.207106781,0.25,0,0,1.207106781,0.25,0,0,1.707106781,1,0,1.707106781,1,0,5.914213562,3.121320344,2.871320344,1.914213562,0.25,0,0,0,0.844887652,0.520220057,0.358915043,0.319035594,0.25,0,0,0,5.914213562,3.121320344,2.871320344,1.914213562,0.25,0,0,0,0.844887652,0.520220057,0.358915043,0.319035594,0.25,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,34,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,9.076388889,0,2.590277778,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.239583333,0,1.295138889,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.298611111,0,1.295138889,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.25,1.75,0.2,2.298611111,0,0.583333333,5.312430556,0.666666667,0.298611111,2.152777778,0.666666667,0.298611111,2.152777778,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.57143,0,0.14286,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.84027,1.12004,7.84027,0,0,3.12132,0.4459,3.12132,0,0,0.29268,0.04181,0.29268,0.04181,0,6,0,0,0,0,0,0,1,0.886540893,1.306170652,2.044451086,2.566190217,2.36951361,1.756720226,20.39044053,30.04192499,47.02237498,59.02237498,54.49881302,40.4045652,0.195982923,0.288748262,0.451956026,0.567294146,0.523815885,0.388348882,3.637021063,3.217391304,2.47911087,1.95737174,2.154048346,2.76684173,0.19880132,0.292900702,0.45845553,0.575452308,0.531348793,0.393933662,6.634953582,11.67051069,14.32625079,14.85207255,12.49195327,5.138432664,27.76507516,21.21742031,19.84231067,20.03452107,18.85446143,11.50094083,7,2.34375,2.666666667,7,0,5,2.23,1.0949,2.039648903,4.298279727,0,2.828427125,0.5,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,2.855,8,6,1,0,0,0,0,0,0,28,1.945910149,2.197224577,1.945910149,0.693147181,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,3,1.111111111,0.125,0,0,0,0,0,0,0,0.5,0.138888889,0.020833333,0,0,0,0,0,0,0,0.659722222,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,0,129.6283511,3.807354922,3.36729583,4.043051268,4.844187086,5.549076085,6.354370041,7.063903961,7.870547845,8.580918882,9.387900612,70.06125161,2.564949357,0,3.80666249,0,5.262690189,0,6.767343125,0,8.282230063,8.532278829,100.1252005,4.353269587,12.44270382,1.777529117,0,0,0,44,6,4.299,28,1.224818182,2.110039005,2.924159227,3.474757511,3.952964644,5.71185753,0,0,0,0,69.72220731,81.39693149,76.11385697,31.90081193,10.61486373,5.803612809,0,0,0,0,268.787596,337.4239973,396.2765835,274.4580573,172.6406646,177.5459197,0,0,0,0,8.893455721,14.97568724,20.72699372,24.06670898,26.79532824,38.37490919,0,0,0,0,2.059771149,2.735845826,3.457950507,2.821098814,2.155507404,2.539565568,0,0,0,0,176.6115071,329.9879212,457.2457905,585.5682262,712.0570339,1056.223283,0,0,0,0,2.538829545,3.501396601,5.152654435,5.169126467,4.547896064,5.71185753,0,0,0,0,0.427911136,0.575376064,0.73538305,0.616797951,0.486646143,0.584894211,0,0,0,0,351.2538824,135.6087776,8.422640101,123.6246489,-47.72783548,-7.249936546,227.6292335,183.336613,15.67257665,0.739671009,0.285565189,0.01773641,0.260328991,-0.100505355,-0.015266928,166.8029278,64.39769712,3.999730961,58.7066917,-22.66492441,-3.442839219,0.06936215,0.167822642,1.367179659,8.42336208,474.8785313,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,651.8861034,25.53206031,8.670761509,1.600376192,1.20582466,301.9411244,301.0866254,117.3617398,1.00283805,2.572738994,2.565458095,3.7171057,3.220194404,6.42424645,0.994987148,4.462408855,5.691187203,2.528752837,30.60273147,5.933777466,9.998374675,9.367718843,8.391585578,4.005473465,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851897,0.149881511,8.932443656,2.023351974,0.331592865,0.652671376,0.333439406,0.957409077,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690874933,0.524912857,11.8618731,2.301177387,1.404778953,1.996587945,1.320719156,1.162491535,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691150612,2.344012169,28.7475861,5.510292301,9.088187436,8.680297607,7.665648812,3.67131965,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690904229,0.815183813,14.31641578,2.64640617,2.408719208,3.048308136,2.193698832,1.4271176,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691340921,3.257168424,38.07157851,7.710774744,13.72990057,12.08766339,11.34352843,5.410230557,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.732087054,4.568276431,1.078605138,18.19740676,3.907136712,4.373030767,4.932270683,3.322899843,2.227401361,1.559038414,0.053081045,0.367905486,2.62E-15,3.60E-51,9.54E-109,4.88E-188,4.81E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.143134216,1.083373056,1.042643022,0.596516334,0.205606786,0.457022849,0.472182242,0.451937121,5.269150294,7.811925237,16.63146991,0.394774501,1.381142212,2.425158869,0.590249567,0.584676146,0.673639414,0.163954361,0.272077387,0.140160268,0.142114195,3.600084582,3.194486356,7.631505007,0.510459121,0.55435185,2.722543607,0.794500869,0.774365612,0.634417022,0.185137485,0.342895472,0.253946564,0.24928655,4.291410088,4.88654156,10.85295345,0.451625533,0.846128586,3.12654359,1.071978198,1.032060545,0.597742926,0.204944331,0.452210911,0.462301704,0.442809658,5.230582334,7.684715251,16.37433784,0.396614389,1.357322272,2.849753172,0.881871591,0.855507349,0.621249422,0.192249006,0.375687333,0.312870267,0.304266557,4.587132112,5.705548772,12.4426704,0.431874133,0.992824157,3.194714628,1.118799778,1.07554404,0.59281499,0.207605798,0.472145876,0.503568241,0.480909248,5.389058445,8.213620724,17.44693817,0.389222485,1.456623365,3.134797151,1.075002078,1.032151288,0.598021126,0.205076731,0.454601587,0.464913542,0.442887528,5.241950518,7.71506315,16.43527418,0.397031689,1.362402657 diff --git a/databases/pp_database_v1.1.csv b/databases/pp_database_v1.1.csv new file mode 100644 index 0000000..c591127 --- /dev/null +++ b/databases/pp_database_v1.1.csv @@ -0,0 +1,48 @@ +DATAID,ASSIGNMENT,STRING,STRING,STRING,STRING,TARGET,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT +DATAID,ASSIGNMENT,Compound Name,SMILES,Validated By,Notes,TARGET,nAcid,ALogP,ALogp2,AMR,apol,naAromAtom,nAromBond,nAtom,nHeavyAtom,nH,nB,nC,nN,nO,nS,nP,nF,nCl,nBr,nI,nX,ATS0m,ATS1m,ATS2m,ATS3m,ATS4m,ATS5m,ATS6m,ATS7m,ATS8m,ATS0v,ATS1v,ATS2v,ATS3v,ATS4v,ATS5v,ATS6v,ATS7v,ATS8v,ATS0e,ATS1e,ATS2e,ATS3e,ATS4e,ATS5e,ATS6e,ATS7e,ATS8e,ATS0p,ATS1p,ATS2p,ATS3p,ATS4p,ATS5p,ATS6p,ATS7p,ATS8p,ATS0i,ATS1i,ATS2i,ATS3i,ATS4i,ATS5i,ATS6i,ATS7i,ATS8i,ATS0s,ATS1s,ATS2s,ATS3s,ATS4s,ATS5s,ATS6s,ATS7s,ATS8s,AATS0m,AATS1m,AATS2m,AATS3m,AATS4m,AATS5m,AATS6m,AATS7m,AATS8m,AATS0v,AATS1v,AATS2v,AATS3v,AATS4v,AATS5v,AATS6v,AATS7v,AATS8v,AATS0e,AATS1e,AATS2e,AATS3e,AATS4e,AATS5e,AATS6e,AATS7e,AATS8e,AATS0p,AATS1p,AATS2p,AATS3p,AATS4p,AATS5p,AATS6p,AATS7p,AATS8p,AATS0i,AATS1i,AATS2i,AATS3i,AATS4i,AATS5i,AATS6i,AATS7i,AATS8i,AATS0s,AATS1s,AATS2s,AATS3s,AATS4s,AATS5s,AATS6s,AATS7s,AATS8s,ATSC0c,ATSC1c,ATSC2c,ATSC3c,ATSC4c,ATSC5c,ATSC6c,ATSC7c,ATSC8c,ATSC0m,ATSC1m,ATSC2m,ATSC3m,ATSC4m,ATSC5m,ATSC6m,ATSC7m,ATSC8m,ATSC0v,ATSC1v,ATSC2v,ATSC3v,ATSC4v,ATSC5v,ATSC6v,ATSC7v,ATSC8v,ATSC0e,ATSC1e,ATSC2e,ATSC3e,ATSC4e,ATSC5e,ATSC6e,ATSC7e,ATSC8e,ATSC0p,ATSC1p,ATSC2p,ATSC3p,ATSC4p,ATSC5p,ATSC6p,ATSC7p,ATSC8p,ATSC0i,ATSC1i,ATSC2i,ATSC3i,ATSC4i,ATSC5i,ATSC6i,ATSC7i,ATSC8i,ATSC0s,ATSC1s,ATSC2s,ATSC3s,ATSC4s,ATSC5s,ATSC6s,ATSC7s,ATSC8s,AATSC0c,AATSC1c,AATSC2c,AATSC3c,AATSC4c,AATSC5c,AATSC6c,AATSC7c,AATSC8c,AATSC0m,AATSC1m,AATSC2m,AATSC3m,AATSC4m,AATSC5m,AATSC6m,AATSC7m,AATSC8m,AATSC0v,AATSC1v,AATSC2v,AATSC3v,AATSC4v,AATSC5v,AATSC6v,AATSC7v,AATSC8v,AATSC0e,AATSC1e,AATSC2e,AATSC3e,AATSC4e,AATSC5e,AATSC6e,AATSC7e,AATSC8e,AATSC0p,AATSC1p,AATSC2p,AATSC3p,AATSC4p,AATSC5p,AATSC6p,AATSC7p,AATSC8p,AATSC0i,AATSC1i,AATSC2i,AATSC3i,AATSC4i,AATSC5i,AATSC6i,AATSC7i,AATSC8i,AATSC0s,AATSC1s,AATSC2s,AATSC3s,AATSC4s,AATSC5s,AATSC6s,AATSC7s,AATSC8s,MATS1c,MATS2c,MATS3c,MATS4c,MATS5c,MATS6c,MATS7c,MATS8c,MATS1m,MATS2m,MATS3m,MATS4m,MATS5m,MATS6m,MATS7m,MATS8m,MATS1v,MATS2v,MATS3v,MATS4v,MATS5v,MATS6v,MATS7v,MATS8v,MATS1e,MATS2e,MATS3e,MATS4e,MATS5e,MATS6e,MATS7e,MATS8e,MATS1p,MATS2p,MATS3p,MATS4p,MATS5p,MATS6p,MATS7p,MATS8p,MATS1i,MATS2i,MATS3i,MATS4i,MATS5i,MATS6i,MATS7i,MATS8i,MATS1s,MATS2s,MATS3s,MATS4s,MATS5s,MATS6s,MATS7s,MATS8s,GATS1c,GATS2c,GATS3c,GATS4c,GATS5c,GATS6c,GATS7c,GATS8c,GATS1m,GATS2m,GATS3m,GATS4m,GATS5m,GATS6m,GATS7m,GATS8m,GATS1v,GATS2v,GATS3v,GATS4v,GATS5v,GATS6v,GATS7v,GATS8v,GATS1e,GATS2e,GATS3e,GATS4e,GATS5e,GATS6e,GATS7e,GATS8e,GATS1p,GATS2p,GATS3p,GATS4p,GATS5p,GATS6p,GATS7p,GATS8p,GATS1i,GATS2i,GATS3i,GATS4i,GATS5i,GATS6i,GATS7i,GATS8i,GATS1s,GATS2s,GATS3s,GATS4s,GATS5s,GATS6s,GATS7s,GATS8s,SpAbs_DzZ,SpMax_DzZ,SpDiam_DzZ,SpAD_DzZ,SpMAD_DzZ,EE_DzZ,SM1_DzZ,VE1_DzZ,VE2_DzZ,VE3_DzZ,VR1_DzZ,VR2_DzZ,VR3_DzZ,SpAbs_Dzm,SpMax_Dzm,SpDiam_Dzm,SpAD_Dzm,SpMAD_Dzm,EE_Dzm,SM1_Dzm,VE1_Dzm,VE2_Dzm,VE3_Dzm,VR1_Dzm,VR2_Dzm,VR3_Dzm,SpAbs_Dzv,SpMax_Dzv,SpDiam_Dzv,SpAD_Dzv,SpMAD_Dzv,EE_Dzv,SM1_Dzv,VE1_Dzv,VE2_Dzv,VE3_Dzv,VR1_Dzv,VR2_Dzv,VR3_Dzv,SpAbs_Dze,SpMax_Dze,SpDiam_Dze,SpAD_Dze,SpMAD_Dze,EE_Dze,SM1_Dze,VE1_Dze,VE2_Dze,VE3_Dze,VR1_Dze,VR2_Dze,VR3_Dze,SpAbs_Dzp,SpMax_Dzp,SpDiam_Dzp,SpAD_Dzp,SpMAD_Dzp,EE_Dzp,SM1_Dzp,VE1_Dzp,VE2_Dzp,VE3_Dzp,VR1_Dzp,VR2_Dzp,VR3_Dzp,SpAbs_Dzi,SpMax_Dzi,SpDiam_Dzi,SpAD_Dzi,SpMAD_Dzi,EE_Dzi,SM1_Dzi,VE1_Dzi,VE2_Dzi,VE3_Dzi,VR1_Dzi,VR2_Dzi,VR3_Dzi,SpAbs_Dzs,SpMax_Dzs,SpDiam_Dzs,SpAD_Dzs,SpMAD_Dzs,EE_Dzs,SM1_Dzs,VE1_Dzs,VE2_Dzs,VE3_Dzs,VR1_Dzs,VR2_Dzs,VR3_Dzs,nBase,BCUTw-1l,BCUTw-1h,BCUTc-1l,BCUTc-1h,BCUTp-1l,BCUTp-1h,nBonds,nBonds2,nBondsS,nBondsS2,nBondsS3,nBondsD,nBondsD2,nBondsT,nBondsQ,nBondsM,bpol,SpMax1_Bhm,SpMax2_Bhm,SpMax3_Bhm,SpMax4_Bhm,SpMax5_Bhm,SpMax6_Bhm,SpMax7_Bhm,SpMax8_Bhm,SpMin1_Bhm,SpMin2_Bhm,SpMin3_Bhm,SpMin4_Bhm,SpMin5_Bhm,SpMin6_Bhm,SpMin7_Bhm,SpMin8_Bhm,SpMax1_Bhv,SpMax2_Bhv,SpMax3_Bhv,SpMax4_Bhv,SpMax5_Bhv,SpMax6_Bhv,SpMax7_Bhv,SpMax8_Bhv,SpMin1_Bhv,SpMin2_Bhv,SpMin3_Bhv,SpMin4_Bhv,SpMin5_Bhv,SpMin6_Bhv,SpMin7_Bhv,SpMin8_Bhv,SpMax1_Bhe,SpMax2_Bhe,SpMax3_Bhe,SpMax4_Bhe,SpMax5_Bhe,SpMax6_Bhe,SpMax7_Bhe,SpMax8_Bhe,SpMin1_Bhe,SpMin2_Bhe,SpMin3_Bhe,SpMin4_Bhe,SpMin5_Bhe,SpMin6_Bhe,SpMin7_Bhe,SpMin8_Bhe,SpMax1_Bhp,SpMax2_Bhp,SpMax3_Bhp,SpMax4_Bhp,SpMax5_Bhp,SpMax6_Bhp,SpMax7_Bhp,SpMax8_Bhp,SpMin1_Bhp,SpMin2_Bhp,SpMin3_Bhp,SpMin4_Bhp,SpMin5_Bhp,SpMin6_Bhp,SpMin7_Bhp,SpMin8_Bhp,SpMax1_Bhi,SpMax2_Bhi,SpMax3_Bhi,SpMax4_Bhi,SpMax5_Bhi,SpMax6_Bhi,SpMax7_Bhi,SpMax8_Bhi,SpMin1_Bhi,SpMin2_Bhi,SpMin3_Bhi,SpMin4_Bhi,SpMin5_Bhi,SpMin6_Bhi,SpMin7_Bhi,SpMin8_Bhi,SpMax1_Bhs,SpMax2_Bhs,SpMax3_Bhs,SpMax4_Bhs,SpMax5_Bhs,SpMax6_Bhs,SpMax7_Bhs,SpMax8_Bhs,SpMin1_Bhs,SpMin2_Bhs,SpMin3_Bhs,SpMin4_Bhs,SpMin5_Bhs,SpMin6_Bhs,SpMin7_Bhs,SpMin8_Bhs,C1SP1,C2SP1,C1SP2,C2SP2,C3SP2,C1SP3,C2SP3,C3SP3,C4SP3,SCH-3,SCH-4,SCH-5,SCH-6,SCH-7,VCH-3,VCH-4,VCH-5,VCH-6,VCH-7,SC-3,SC-4,SC-5,SC-6,VC-3,VC-4,VC-5,VC-6,SPC-4,SPC-5,SPC-6,VPC-4,VPC-5,VPC-6,SP-0,SP-1,SP-2,SP-3,SP-4,SP-5,SP-6,SP-7,ASP-0,ASP-1,ASP-2,ASP-3,ASP-4,ASP-5,ASP-6,ASP-7,VP-0,VP-1,VP-2,VP-3,VP-4,VP-5,VP-6,VP-7,AVP-0,AVP-1,AVP-2,AVP-3,AVP-4,AVP-5,AVP-6,AVP-7,Sv,Sse,Spe,Sare,Sp,Si,Mv,Mse,Mpe,Mare,Mp,Mi,CrippenLogP,CrippenMR,SpMax_Dt,SpDiam_Dt,SpAD_Dt,SpMAD_Dt,EE_Dt,VE1_Dt,VE2_Dt,VE3_Dt,VR1_Dt,VR2_Dt,VR3_Dt,ECCEN,nHBd,nwHBd,nHBa,nwHBa,nHBint2,nHBint3,nHBint4,nHBint5,nHBint6,nHBint7,nHBint8,nHBint9,nHBint10,nHsOH,nHdNH,nHsSH,nHsNH2,nHssNH,nHaaNH,nHsNH3p,nHssNH2p,nHsssNHp,nHtCH,nHdCH2,nHdsCH,nHaaCH,nHCHnX,nHCsats,nHCsatu,nHAvin,nHother,nHmisc,nsLi,nssBe,nssssBem,nsBH2,nssBH,nsssB,nssssBm,nsCH3,ndCH2,nssCH2,ntCH,ndsCH,naaCH,nsssCH,nddC,ntsC,ndssC,naasC,naaaC,nssssC,nsNH3p,nsNH2,nssNH2p,ndNH,nssNH,naaNH,ntN,nsssNHp,ndsN,naaN,nsssN,nddsN,naasN,nssssNp,nsOH,ndO,nssO,naaO,naOm,nsOm,nsF,nsSiH3,nssSiH2,nsssSiH,nssssSi,nsPH2,nssPH,nsssP,ndsssP,nddsP,nsssssP,nsSH,ndS,nssS,naaS,ndssS,nddssS,nssssssS,nSm,nsCl,nsGeH3,nssGeH2,nsssGeH,nssssGe,nsAsH2,nssAsH,nsssAs,ndsssAs,nddsAs,nsssssAs,nsSeH,ndSe,nssSe,naaSe,ndssSe,nssssssSe,nddssSe,nsBr,nsSnH3,nssSnH2,nsssSnH,nssssSn,nsI,nsPbH3,nssPbH2,nsssPbH,nssssPb,SHBd,SwHBd,SHBa,SwHBa,SHBint2,SHBint3,SHBint4,SHBint5,SHBint6,SHBint7,SHBint8,SHBint9,SHBint10,SHsOH,SHdNH,SHsSH,SHsNH2,SHssNH,SHaaNH,SHsNH3p,SHssNH2p,SHsssNHp,SHtCH,SHdCH2,SHdsCH,SHaaCH,SHCHnX,SHCsats,SHCsatu,SHAvin,SHother,SHmisc,SsLi,SssBe,SssssBem,SsBH2,SssBH,SsssB,SssssBm,SsCH3,SdCH2,SssCH2,StCH,SdsCH,SaaCH,SsssCH,SddC,StsC,SdssC,SaasC,SaaaC,SssssC,SsNH3p,SsNH2,SssNH2p,SdNH,SssNH,SaaNH,StN,SsssNHp,SdsN,SaaN,SsssN,SddsN,SaasN,SssssNp,SsOH,SdO,SssO,SaaO,SaOm,SsOm,SsF,SsSiH3,SssSiH2,SsssSiH,SssssSi,SsPH2,SssPH,SsssP,SdsssP,SddsP,SsssssP,SsSH,SdS,SssS,SaaS,SdssS,SddssS,SssssssS,SSm,SsCl,SsGeH3,SssGeH2,SsssGeH,SssssGe,SsAsH2,SssAsH,SsssAs,SdsssAs,SddsAs,SsssssAs,SsSeH,SdSe,SssSe,SaaSe,SdssSe,SssssssSe,SddssSe,SsBr,SsSnH3,SssSnH2,SsssSnH,SssssSn,SsI,SsPbH3,SssPbH2,SsssPbH,SssssPb,minHBd,minwHBd,minHBa,minwHBa,minHBint2,minHBint3,minHBint4,minHBint5,minHBint6,minHBint7,minHBint8,minHBint9,minHBint10,minHsOH,minHdNH,minHsSH,minHsNH2,minHssNH,minHaaNH,minHsNH3p,minHssNH2p,minHsssNHp,minHtCH,minHdCH2,minHdsCH,minHaaCH,minHCHnX,minHCsats,minHCsatu,minHAvin,minHother,minHmisc,minsLi,minssBe,minssssBem,minsBH2,minssBH,minsssB,minssssBm,minsCH3,mindCH2,minssCH2,mintCH,mindsCH,minaaCH,minsssCH,minddC,mintsC,mindssC,minaasC,minaaaC,minssssC,minsNH3p,minsNH2,minssNH2p,mindNH,minssNH,minaaNH,mintN,minsssNHp,mindsN,minaaN,minsssN,minddsN,minaasN,minssssNp,minsOH,mindO,minssO,minaaO,minaOm,minsOm,minsF,minsSiH3,minssSiH2,minsssSiH,minssssSi,minsPH2,minssPH,minsssP,mindsssP,minddsP,minsssssP,minsSH,mindS,minssS,minaaS,mindssS,minddssS,minssssssS,minSm,minsCl,minsGeH3,minssGeH2,minsssGeH,minssssGe,minsAsH2,minssAsH,minsssAs,mindsssAs,minddsAs,minsssssAs,minsSeH,mindSe,minssSe,minaaSe,mindssSe,minssssssSe,minddssSe,minsBr,minsSnH3,minssSnH2,minsssSnH,minssssSn,minsI,minsPbH3,minssPbH2,minsssPbH,minssssPb,maxHBd,maxwHBd,maxHBa,maxwHBa,maxHBint2,maxHBint3,maxHBint4,maxHBint5,maxHBint6,maxHBint7,maxHBint8,maxHBint9,maxHBint10,maxHsOH,maxHdNH,maxHsSH,maxHsNH2,maxHssNH,maxHaaNH,maxHsNH3p,maxHssNH2p,maxHsssNHp,maxHtCH,maxHdCH2,maxHdsCH,maxHaaCH,maxHCHnX,maxHCsats,maxHCsatu,maxHAvin,maxHother,maxHmisc,maxsLi,maxssBe,maxssssBem,maxsBH2,maxssBH,maxsssB,maxssssBm,maxsCH3,maxdCH2,maxssCH2,maxtCH,maxdsCH,maxaaCH,maxsssCH,maxddC,maxtsC,maxdssC,maxaasC,maxaaaC,maxssssC,maxsNH3p,maxsNH2,maxssNH2p,maxdNH,maxssNH,maxaaNH,maxtN,maxsssNHp,maxdsN,maxaaN,maxsssN,maxddsN,maxaasN,maxssssNp,maxsOH,maxdO,maxssO,maxaaO,maxaOm,maxsOm,maxsF,maxsSiH3,maxssSiH2,maxsssSiH,maxssssSi,maxsPH2,maxssPH,maxsssP,maxdsssP,maxddsP,maxsssssP,maxsSH,maxdS,maxssS,maxaaS,maxdssS,maxddssS,maxssssssS,maxSm,maxsCl,maxsGeH3,maxssGeH2,maxsssGeH,maxssssGe,maxsAsH2,maxssAsH,maxsssAs,maxdsssAs,maxddsAs,maxsssssAs,maxsSeH,maxdSe,maxssSe,maxaaSe,maxdssSe,maxssssssSe,maxddssSe,maxsBr,maxsSnH3,maxssSnH2,maxsssSnH,maxssssSn,maxsI,maxsPbH3,maxssPbH2,maxsssPbH,maxssssPb,sumI,meanI,hmax,gmax,hmin,gmin,LipoaffinityIndex,MAXDN,MAXDP,DELS,MAXDN2,MAXDP2,DELS2,ETA_Alpha,ETA_AlphaP,ETA_dAlpha_A,ETA_dAlpha_B,ETA_Epsilon_1,ETA_Epsilon_2,ETA_Epsilon_3,ETA_Epsilon_4,ETA_Epsilon_5,ETA_dEpsilon_A,ETA_dEpsilon_B,ETA_dEpsilon_C,ETA_dEpsilon_D,ETA_Psi_1,ETA_dPsi_A,ETA_dPsi_B,ETA_Shape_P,ETA_Shape_Y,ETA_Shape_X,ETA_Beta,ETA_BetaP,ETA_Beta_s,ETA_BetaP_s,ETA_Beta_ns,ETA_BetaP_ns,ETA_dBeta,ETA_dBetaP,ETA_Beta_ns_d,ETA_BetaP_ns_d,ETA_Eta,ETA_EtaP,ETA_Eta_R,ETA_Eta_F,ETA_EtaP_F,ETA_Eta_L,ETA_EtaP_L,ETA_Eta_R_L,ETA_Eta_F_L,ETA_EtaP_F_L,ETA_Eta_B,ETA_EtaP_B,ETA_Eta_B_RC,ETA_EtaP_B_RC,FMF,fragC,nHBAcc,nHBAcc2,nHBAcc3,nHBAcc_Lipinski,nHBDon,nHBDon_Lipinski,HybRatio,IC0,IC1,IC2,IC3,IC4,IC5,TIC0,TIC1,TIC2,TIC3,TIC4,TIC5,SIC0,SIC1,SIC2,SIC3,SIC4,SIC5,CIC0,CIC1,CIC2,CIC3,CIC4,CIC5,BIC0,BIC1,BIC2,BIC3,BIC4,BIC5,MIC0,MIC1,MIC2,MIC3,MIC4,MIC5,ZMIC0,ZMIC1,ZMIC2,ZMIC3,ZMIC4,ZMIC5,Kier1,Kier2,Kier3,nAtomLC,nAtomP,nAtomLAC,MLogP,McGowan_Volume,MDEC-11,MDEC-12,MDEC-13,MDEC-14,MDEC-22,MDEC-23,MDEC-24,MDEC-33,MDEC-34,MDEC-44,MDEO-11,MDEO-12,MDEO-22,MDEN-11,MDEN-12,MDEN-13,MDEN-22,MDEN-23,MDEN-33,MLFER_A,MLFER_BH,MLFER_BO,MLFER_S,MLFER_E,MLFER_L,MPC2,MPC3,MPC4,MPC5,MPC6,MPC7,MPC8,MPC9,MPC10,TPC,piPC1,piPC2,piPC3,piPC4,piPC5,piPC6,piPC7,piPC8,piPC9,piPC10,TpiPC,R_TpiPCTPC,PetitjeanNumber,nRing,n3Ring,n4Ring,n5Ring,n6Ring,n7Ring,n8Ring,n9Ring,n10Ring,n11Ring,n12Ring,nG12Ring,nFRing,nF4Ring,nF5Ring,nF6Ring,nF7Ring,nF8Ring,nF9Ring,nF10Ring,nF11Ring,nF12Ring,nFG12Ring,nTRing,nT4Ring,nT5Ring,nT6Ring,nT7Ring,nT8Ring,nT9Ring,nT10Ring,nT11Ring,nT12Ring,nTG12Ring,nHeteroRing,n3HeteroRing,n4HeteroRing,n5HeteroRing,n6HeteroRing,n7HeteroRing,n8HeteroRing,n9HeteroRing,n10HeteroRing,n11HeteroRing,n12HeteroRing,nG12HeteroRing,nFHeteroRing,nF4HeteroRing,nF5HeteroRing,nF6HeteroRing,nF7HeteroRing,nF8HeteroRing,nF9HeteroRing,nF10HeteroRing,nF11HeteroRing,nF12HeteroRing,nFG12HeteroRing,nTHeteroRing,nT4HeteroRing,nT5HeteroRing,nT6HeteroRing,nT7HeteroRing,nT8HeteroRing,nT9HeteroRing,nT10HeteroRing,nT11HeteroRing,nT12HeteroRing,nTG12HeteroRing,nRotB,RotBFrac,nRotBt,RotBtFrac,LipinskiFailures,topoRadius,topoDiameter,topoShape,GGI1,GGI2,GGI3,GGI4,GGI5,GGI6,GGI7,GGI8,GGI9,GGI10,JGI1,JGI2,JGI3,JGI4,JGI5,JGI6,JGI7,JGI8,JGI9,JGI10,JGT,SpMax_D,SpDiam_D,SpAD_D,SpMAD_D,EE_D,VE1_D,VE2_D,VE3_D,VR1_D,VR2_D,VR3_D,TopoPSA,VABC,VAdjMat,MWC2,MWC3,MWC4,MWC5,MWC6,MWC7,MWC8,MWC9,MWC10,TWC,SRW2,SRW3,SRW4,SRW5,SRW6,SRW7,SRW8,SRW9,SRW10,TSRW,MW,AMW,WTPT-1,WTPT-2,WTPT-3,WTPT-4,WTPT-5,WPATH,WPOL,XLogP,Zagreb,TDB1u,TDB2u,TDB3u,TDB4u,TDB5u,TDB6u,TDB7u,TDB8u,TDB9u,TDB10u,TDB1m,TDB2m,TDB3m,TDB4m,TDB5m,TDB6m,TDB7m,TDB8m,TDB9m,TDB10m,TDB1v,TDB2v,TDB3v,TDB4v,TDB5v,TDB6v,TDB7v,TDB8v,TDB9v,TDB10v,TDB1e,TDB2e,TDB3e,TDB4e,TDB5e,TDB6e,TDB7e,TDB8e,TDB9e,TDB10e,TDB1p,TDB2p,TDB3p,TDB4p,TDB5p,TDB6p,TDB7p,TDB8p,TDB9p,TDB10p,TDB1i,TDB2i,TDB3i,TDB4i,TDB5i,TDB6i,TDB7i,TDB8i,TDB9i,TDB10i,TDB1s,TDB2s,TDB3s,TDB4s,TDB5s,TDB6s,TDB7s,TDB8s,TDB9s,TDB10s,TDB1r,TDB2r,TDB3r,TDB4r,TDB5r,TDB6r,TDB7r,TDB8r,TDB9r,TDB10r,PPSA-1,PPSA-2,PPSA-3,PNSA-1,PNSA-2,PNSA-3,DPSA-1,DPSA-2,DPSA-3,FPSA-1,FPSA-2,FPSA-3,FNSA-1,FNSA-2,FNSA-3,WPSA-1,WPSA-2,WPSA-3,WNSA-1,WNSA-2,WNSA-3,RPCG,RNCG,RPCS,RNCS,THSA,TPSA,RHSA,RPSA,GRAV-1,GRAV-2,GRAV-3,GRAVH-1,GRAVH-2,GRAVH-3,GRAV-4,GRAV-5,GRAV-6,LOBMAX,LOBMIN,MOMI-X,MOMI-Y,MOMI-Z,MOMI-XY,MOMI-XZ,MOMI-YZ,MOMI-R,geomRadius,geomDiameter,geomShape,RDF10u,RDF15u,RDF20u,RDF25u,RDF30u,RDF35u,RDF40u,RDF45u,RDF50u,RDF55u,RDF60u,RDF65u,RDF70u,RDF75u,RDF80u,RDF85u,RDF90u,RDF95u,RDF100u,RDF105u,RDF110u,RDF115u,RDF120u,RDF125u,RDF130u,RDF135u,RDF140u,RDF145u,RDF150u,RDF155u,RDF10m,RDF15m,RDF20m,RDF25m,RDF30m,RDF35m,RDF40m,RDF45m,RDF50m,RDF55m,RDF60m,RDF65m,RDF70m,RDF75m,RDF80m,RDF85m,RDF90m,RDF95m,RDF100m,RDF105m,RDF110m,RDF115m,RDF120m,RDF125m,RDF130m,RDF135m,RDF140m,RDF145m,RDF150m,RDF155m,RDF10v,RDF15v,RDF20v,RDF25v,RDF30v,RDF35v,RDF40v,RDF45v,RDF50v,RDF55v,RDF60v,RDF65v,RDF70v,RDF75v,RDF80v,RDF85v,RDF90v,RDF95v,RDF100v,RDF105v,RDF110v,RDF115v,RDF120v,RDF125v,RDF130v,RDF135v,RDF140v,RDF145v,RDF150v,RDF155v,RDF10e,RDF15e,RDF20e,RDF25e,RDF30e,RDF35e,RDF40e,RDF45e,RDF50e,RDF55e,RDF60e,RDF65e,RDF70e,RDF75e,RDF80e,RDF85e,RDF90e,RDF95e,RDF100e,RDF105e,RDF110e,RDF115e,RDF120e,RDF125e,RDF130e,RDF135e,RDF140e,RDF145e,RDF150e,RDF155e,RDF10p,RDF15p,RDF20p,RDF25p,RDF30p,RDF35p,RDF40p,RDF45p,RDF50p,RDF55p,RDF60p,RDF65p,RDF70p,RDF75p,RDF80p,RDF85p,RDF90p,RDF95p,RDF100p,RDF105p,RDF110p,RDF115p,RDF120p,RDF125p,RDF130p,RDF135p,RDF140p,RDF145p,RDF150p,RDF155p,RDF10i,RDF15i,RDF20i,RDF25i,RDF30i,RDF35i,RDF40i,RDF45i,RDF50i,RDF55i,RDF60i,RDF65i,RDF70i,RDF75i,RDF80i,RDF85i,RDF90i,RDF95i,RDF100i,RDF105i,RDF110i,RDF115i,RDF120i,RDF125i,RDF130i,RDF135i,RDF140i,RDF145i,RDF150i,RDF155i,RDF10s,RDF15s,RDF20s,RDF25s,RDF30s,RDF35s,RDF40s,RDF45s,RDF50s,RDF55s,RDF60s,RDF65s,RDF70s,RDF75s,RDF80s,RDF85s,RDF90s,RDF95s,RDF100s,RDF105s,RDF110s,RDF115s,RDF120s,RDF125s,RDF130s,RDF135s,RDF140s,RDF145s,RDF150s,RDF155s,L1u,L2u,L3u,P1u,P2u,E1u,E2u,E3u,Tu,Au,Vu,Ku,Du,L1m,L2m,L3m,P1m,P2m,E1m,E2m,E3m,Tm,Am,Vm,Km,Dm,L1v,L2v,L3v,P1v,P2v,E1v,E2v,E3v,Tv,Av,Vv,Kv,Dv,L1e,L2e,L3e,P1e,P2e,E1e,E2e,E3e,Te,Ae,Ve,Ke,De,L1p,L2p,L3p,P1p,P2p,E1p,E2p,E3p,Tp,Ap,Vp,Kp,Dp,L1i,L2i,L3i,P1i,P2i,E1i,E2i,E3i,Ti,Ai,Vi,Ki,Di,L1s,L2s,L3s,P1s,P2s,E1s,E2s,E3s,Ts,As,Vs,Ks,Ds +UMLPP0001,L,Iso-propyle Alcohol + Oleic Acid,CCCCCCCCC=CCCCCCCCC(=O)OC(C)C,UML,"stereochemistry Z +CCCCCCCC\C=C/CCCCCCCC(=O)OC(C)C",-21,0,-2.1418,4.58730724,83.1847,65.23572,0,0,63,23,40,0,21,0,2,0,0,0,0,0,0,0,3582.125103,3801.793786,4520.477847,4199.628033,4140.646637,3681.512794,3400.186881,3203.430152,3006.673423,10569.98627,13544.47429,17993.85253,18944.68911,18122.19284,17161.3639,16035.4887,15028.69036,14021.89201,453.792828,458.076736,858.564252,1167.006492,1094.471828,1040.31628,1001.22594,938.34104,875.45614,77.63782419,101.5488924,146.0232748,161.9596631,154.7199488,147.0354668,140.1406848,131.119156,122.0976271,10430.29013,8994.024659,18391.11417,26719.90669,25144.45388,23602.80008,23231.75109,21752.79593,20273.84078,157.3055556,135.3333333,237.8055556,286,280.25,275,232.75,220.5,208.5833333,56.85912862,61.31925461,38.3091343,25.92362983,27.06304992,25.56606107,24.11480057,24.26841024,24.44449937,167.7775598,218.4592628,152.4902757,116.9425254,118.4457048,119.1761382,113.7268702,113.8537148,113.999122,7.203060762,7.388334452,7.275968237,7.203743778,7.153410641,7.224418611,7.100893191,7.108644242,7.117529593,1.232346416,1.637885361,1.23748538,0.999751007,1.011241495,1.02107963,0.993905566,0.993326939,0.992663635,165.5601608,145.0649139,155.8568997,164.9376956,164.3428358,163.9083339,164.7641921,164.7939086,164.8279738,2.49691358,2.182795699,2.015301318,1.765432099,1.831699346,1.909722222,1.65070922,1.670454545,1.695799458,0.334744892,-0.171557574,0.061644411,-0.080593678,0.051447654,-0.035358694,0.006917987,0.002049304,-0.020408553,1910.187747,-19.69635918,-405.8286099,-139.207937,135.3896358,-474.072949,-0.398536245,-2.436904327,-4.475272408,3130.629404,-151.3466411,-1163.173886,34.61585709,126.0880764,-452.5925264,4.665659342,3.908768094,3.151876845,2.298038857,0.057854331,0.976381506,-0.460093633,0.015214776,-0.619267483,-0.044175347,-0.054405224,-0.064635102,13.94448701,-1.018373451,-5.82348959,0.833928423,0.133236314,-0.955153993,0.007727764,0.00756195,0.007396137,76.59864739,-6.108318519,-32.22304651,5.523575998,-0.04589453,-3.550100451,-0.002929325,-0.002932812,-0.002936299,43.96825397,-0.369110607,14.17542202,-6.237150416,4.235827664,-14.52267574,-1.812547241,-2.086923658,-2.027966742,0.005313411,-0.002767058,5.22E-04,-4.97E-04,3.36E-04,-2.46E-04,4.91E-05,1.55E-05,-1.66E-04,30.32044044,-0.317683213,-3.439225508,-0.859308253,0.88489958,-3.292173257,-0.002826498,-0.018461396,-0.036384329,49.69253022,-2.441074856,-9.857405814,0.21367813,0.824105075,-3.143003656,0.033089783,0.029611879,0.025625015,0.036476807,9.33E-04,0.00827442,-0.002840084,9.94E-05,-0.004300469,-3.13E-04,-4.12E-04,-5.25E-04,0.221341064,-0.016425378,-0.049351607,0.005147706,8.71E-04,-0.006633014,5.48E-05,5.73E-05,6.01E-05,1.215851546,-0.098521266,-0.273076665,0.034096148,-3.00E-04,-0.024653475,-2.08E-05,-2.22E-05,-2.39E-05,0.697908793,-0.005953397,0.120130695,-0.038500928,0.027685148,-0.100851915,-0.012854945,-0.015810028,-0.016487534,-0.520768609,0.09831919,-0.093629467,0.063284993,-0.046212591,0.009233943,0.002921858,-0.031227246,-0.010477526,-0.113429273,-0.02834089,0.029184918,-0.108579335,-9.32E-05,-6.09E-04,-0.001199993,-0.049123577,-0.198367959,0.004300005,0.016584084,-0.063249016,6.66E-04,5.96E-04,5.16E-04,0.02558158,0.226840564,-0.077859998,0.002726197,-0.117895972,-0.008589028,-0.011299256,-0.014406103,-0.074208454,-0.222966339,0.023256897,0.003934316,-0.029967389,2.48E-04,2.59E-04,2.72E-04,-0.081030671,-0.224597046,0.028043019,-2.47E-04,-0.020276715,-1.71E-05,-1.83E-05,-1.96E-05,-0.008530337,0.172129505,-0.055166132,0.039668719,-0.144505866,-0.018419233,-0.02265343,-0.023624197,1.608503106,0.950286641,1.281036738,1.02977753,1.071697779,0.759596667,0.799523214,0.875844432,1.280071239,1.22183851,1.030363669,0.947791167,1.130078503,0.943189615,0.947960041,0.953428579,1.454730245,1.359893158,0.965535865,0.968417574,1.052897205,0.976896136,0.975949716,0.974864796,0.74455486,0.698442321,1.275456111,0.921791668,1.353209857,0.725506636,0.765278354,0.810870324,1.524518017,1.403343695,0.945052276,0.981015942,1.020477541,0.976988605,0.975801991,0.974441727,1.536276884,1.407512672,0.943059568,0.984311354,1.014589556,0.973404069,0.972727159,0.971951188,0.639981949,0.498583491,0.953007866,1.066029589,1.778140042,0.730889469,0.775381523,0.822563177,329.171832,164.835916,263.2606974,329.6283538,14.33166755,164.835916,0.5,0.121101144,0.005265267,-4.855597113,224.6671929,9.768138822,12.45362638,329.1938385,164.8461848,263.2733769,329.6490192,14.33256605,164.8461848,0.498531158,0.120981388,0.00526006,-4.857872687,224.7284778,9.770803381,12.45425369,348.9222728,174.0621419,274.8575689,348.1936742,15.1388554,174.0621419,-0.797988956,0.013606323,5.92E-04,-9.883607588,308.4770548,13.41204586,13.18278917,329.2169354,164.8569625,263.2866852,329.6707085,14.33350907,164.8569625,0.4969896,0.120855699,0.005254596,-4.860263427,224.7929662,9.773607227,12.45491361,370.2793448,184.0573782,287.9143898,368.3029814,16.0131731,184.0573782,-2.164588529,0.102808771,0.004469947,-5.23223459,216.3321626,9.405746202,12.36667454,331.4795965,165.9129324,264.5932352,331.7957545,14.42590237,165.9129324,0.346268372,0.108543933,0.004719301,-5.107380638,232.051559,10.08919822,12.52800704,349.5494577,174.8998,280.7196696,350.3214217,15.23136616,174.8998,0.961678005,0.15571084,0.006770037,-4.277435534,319.9248199,13.90977478,13.26659787,0,11.89,15.99592521,-0.312931666,0.261777558,4.35114017,7.804825242,22,62,60,60,20,2,2,0,0,2,46.60228,3.598457643,3.558814602,3.458629685,3.353650111,3.216616268,3.105296453,2.915089994,2.72120985,1.946828748,1.905216956,1.817622269,1.755349451,1.700109882,1.56974828,1.430929913,1.276751429,3.60435175,3.530099833,3.458124767,3.351249029,3.241160053,3.11643675,2.914487451,2.730671107,1.893344293,1.851646137,1.778057184,1.714466457,1.632474344,1.506016057,1.36507433,1.209767827,3.716293715,3.671613039,3.601201944,3.506638762,3.394479208,3.274620828,3.105275545,2.935241128,1.732191054,1.669607349,1.590092937,1.498954177,1.41785665,1.286754978,1.1085018,0.935541486,3.621286216,3.543346208,3.467616011,3.358008213,3.263698408,3.135367674,2.931952001,2.748835162,1.861535584,1.823583809,1.759353637,1.682514082,1.589371182,1.467409228,1.3256706,1.170493124,3.76582415,3.715699844,3.64676898,3.562772676,3.463995261,3.339082946,3.175855543,3.010789753,1.683818392,1.617973279,1.5438769,1.448220316,1.352036078,1.224052683,1.038145463,0.862833856,5.018658492,3.68980567,3.555822918,3.520304691,3.447523273,3.283777808,3.122790204,2.916135807,1.823362735,1.790452547,1.649597113,1.558337823,1.489989776,1.355395989,1.209221059,1.009205247,0,0,1,2,0,3,15,0,0,0,0,0,0,0,0,0,0,0,0,0.696923425,0,0,0,0.294627825,0,0,0,0.606493072,0.997890958,0.705615463,0.193538488,0.253006281,0.178902457,17.17551582,11.16390246,8.473143429,5.174250264,3.786708608,2.219274002,1.480875348,0.984637001,0.746761557,0.507450112,0.36839754,0.24639287,0.180319458,0.123293,0.087110315,0.061539813,15.94804233,10.00914118,6.872903084,4.009850638,2.661894671,1.647535724,1.047132553,0.657101195,0.693393145,0.454960963,0.298821873,0.190945268,0.126756889,0.091529762,0.061596033,0.041068825,33.26615428,61.41806264,58.20784314,59,37.93156886,483.6168383,0.528034195,0.974889883,0.923934018,0.936507937,0.602088395,7.676457751,6.90169,100.41,174.7477957,278.3198098,349.4955914,15.1954605,174.7477957,0.09525166,0.004141377,-5.407835519,214.7105921,9.335243136,12.34936939,674,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,18,3,0,2,0,0,0,0,0,0,0,0,3,0,14,0,2,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.47727312,4.672195121,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.50754847,0,0,5.608073468,1.149423369,0,0.50754847,0,0,0,0,0,0,0,0,6.068777659,0,17.26265428,0,4.716058606,0,0.019099821,0,0,-0.043863486,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.35601946,5.121253659,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.121253659,-0.043863486,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252384253,0,0,0.212590712,0.307968893,0,0.252384253,0,0,0,0,0,0,0,0,1.900678598,0,0.579701223,0,2.35321976,0,0.019099821,0,0,-0.043863486,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.35601946,5.121253659,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.35601946,2.362838846,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.255164216,0,0,0.559705005,0.51949267,0,0.255164216,0,0,0,0,0,0,0,0,2.267420464,0,1.412109695,0,2.362838846,0,0.019099821,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.35601946,5.121253659,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,44.5,1.934782609,0.559705005,11.35601946,0.028958427,-0.043863486,12.2771099,1.710530152,4.356019457,13.92150437,1.710530152,4.356019457,13.92150437,11.16666,0.48551,0,0.01449,0.47037,0.76667,0.42958,0.46513,0.76667,0.04079,0.00524,-0.03555,0,0.63327,0.08102,0,0.16418,0.08955,0,14.25,0.61957,11.75,0.51087,2.5,0.1087,-9.25,-0.40217,0,0,28.80372,1.25234,34.61277,5.80905,0.25257,9.57614,0.41635,11.16389,1.58774,0.06903,0.25011,0.01087,0.25011,0.01087,0,22.02,2,2,2,2,0,0,0.857142857,1.102426119,1.993394712,3.206597898,4.031451647,4.439282257,4.4548014,69.45284551,125.5838669,202.0156676,253.9814538,279.6747822,280.6524882,0.184436087,0.333495292,0.536464402,0.674462581,0.742692715,0.745289071,4.874853804,3.983885211,2.770682025,1.945828277,1.537997667,1.522478523,0.183737687,0.332232452,0.534432983,0.671908608,0.739880376,0.7424669,9.286541018,18.106177,22.67139345,25.40392869,26.64457845,25.26438729,85.74042318,58.13080487,46.23025837,34.68290283,29.96262604,33.59561628,23,18.34026465,19.95464853,23,3,18,3.55,3.0989,0.323165204,5.299957114,1.58821909,0,27.40821233,4.021051603,0,0.5,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.464,0.45,0.619,0.201,10.555,23,21,21,18,17,16,15,14,13,203,3.218875825,3.33220451,3.295836866,3.36729583,3.218875825,3.218875825,3.218875825,3.218875825,3.218875825,3.258096538,5.613128106,1.344827586,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17,0.772727273,20,0.909090909,2,10,20,1,2.5,0.666666667,0.625,0.24,0.166666667,0.12244898,0.09375,0.074074074,0.06,0.049586777,0.113636364,0.028985507,0.029761905,0.011428571,0.009259259,0.007202881,0.005859375,0.004938272,0.004285714,0.003814367,0.246427566,174.7477957,278.3198098,349.4955914,15.1954605,174.7477957,0.09525166,0.004141377,-5.407835519,214.7105921,9.335243136,12.34936939,26.3,384.0796718,5.523561956,4.510859507,5.187385806,5.905361848,6.591673732,7.31521839,8.006034179,8.732788325,9.426338455,10.15552949,110.8311897,3.80666249,0,4.919980926,0,6.154858094,0,7.450660796,0,8.783396232,9.095826985,324.3028305,5.147663977,44.4841064,1.934091583,5.348726305,5.348726305,0,1936,21,9.396,90,1.234787229,2.140911691,2.894923098,3.658715342,4.955710465,5.955472486,7.236774945,8.369940323,9.634518715,10.80191989,87.81512597,91.80912983,88.88749037,123.0052446,148.1540749,170.1149858,200.749179,232.1052942,264.1004307,293.6498033,296.7527288,350.7241508,372.8286698,506.0521691,649.4299721,755.8335172,895.4093623,1034.407736,1175.609612,1315.230348,9.17447307,15.66320127,20.92496705,26.35257569,35.84628057,42.51200865,51.64777815,59.80475278,68.89661981,76.84720999,2.164622475,2.787834798,3.087343074,4.160957866,5.423135718,6.41018783,7.625322099,8.806607787,10.01891378,11.27313782,176.910422,330.0140821,473.5182843,586.9061293,802.2910095,966.177836,1179.934535,1364.445627,1574.855927,1761.401813,2.782792611,4.492204976,5.24118632,6.967804532,9.481119848,10.19083476,12.43250009,14.58109881,17.2088318,18.46059274,0.461162604,0.611051255,0.683488289,0.913103255,1.194822263,1.398958003,1.669347161,1.931813528,2.204393817,2.468440892,771.7785084,1186.920045,23.21084622,142.484325,-219.1269898,-16.44948931,629.2941834,1406.047034,39.66033553,0.844153869,1.298226288,0.025387498,0.155846131,-0.239676143,-0.017992079,705.6084058,1085.156883,21.22081403,130.2681227,-200.3396626,-15.0391567,0.170163368,0.203421902,0.642169013,2.016042233,875.7163015,38.54653192,0.957838676,0.042161324,1525.996714,39.06400791,11.51289471,1925.637942,43.88209136,12.44108369,2778.333316,52.70989771,14.05814814,5.473086915,5.473086915,19805.59335,19692.62773,209.0399334,1.005736442,94.74550162,94.20509951,9.166382872,13.34483672,26.56406807,0.990587718,15.94440613,18.22355623,7.4818999,78.5710772,39.68692042,4.139119169,20.79216068,14.16599946,63.52456101,2.486428123,4.919877446,47.4754745,6.682642268,68.45527278,1.452494781,6.214525506,35.67150063,3.461116347,63.34045807,0.241214937,4.208314828,26.95392466,3.098839822,59.78273915,0.651068649,5.668962062,15.05808976,2.671223164,44.41039667,1.649947058,1.344982533,18.51458297,0.633079104,20.42179104,1.916824978,0.450455398,3.004095632,0.406026182,17.28955759,0.093586021,0.411394762,5.083934528,0.255992454,15.84931156,0.010406042,0.590663244,2.885549553,0.125998328,12.7651517,0.001877142,0.831557949,1.254728029,0.137059833,9.114201775,0.054585791,1.790899445,0.288276872,0.143694025,6.410461416,0.089240486,4.322012179,17.94158377,1.96498261,23.17851102,4.161603209,1.030137528,6.434810814,1.658158185,22.78767433,0.37757154,0.794204985,12.10211052,1.018151284,22.96353631,0.107056573,1.068050616,6.715420577,0.514702131,19.60894691,0.018161749,1.14687153,3.792409408,0.523421249,16.10579564,0.176245097,2.161006857,1.532037604,0.515873934,11.6465317,0.320516991,15.05234783,18.52920324,7.212644607,73.30728181,35.9280503,4.422871591,20.28404499,12.95555629,60.9662447,2.267614354,4.46858764,44.87073219,6.115803528,65.89636853,1.294267707,5.65380683,33.01258566,3.154512245,60.30226439,0.215040895,3.956579561,24.61988077,2.840336633,56.03717707,0.614518589,5.412542183,13.56239937,2.465656567,41.52651726,1.52351894,6.366690696,17.72492599,2.855035732,27.74215411,7.281205409,1.336984952,8.688192003,2.933754753,27.51084901,0.633222513,1.217341173,17.41493401,1.699217885,28.66056186,0.23210848,1.595883613,10.15333596,0.868028984,25.19757791,0.039011133,1.467321842,6.288661634,0.853433714,21.80592771,0.259788771,2.544525795,2.902830685,0.814041879,15.93014196,0.505201341,19.25518683,18.4265828,9.191817989,105.9683681,57.32164935,5.40746257,25.31374451,19.99521044,80.14739401,3.378717539,6.842395116,59.24362394,9.085520752,85.90753967,2.117753932,8.610209363,47.83782954,4.717182272,80.15173567,0.351207944,5.559204914,37.46404926,4.143630676,76.92277397,0.786435454,7.112587626,21.44612012,3.490141097,57.29341335,2.153118549,9.999995461,17.84825262,5.006961144,48.27845198,20.00584276,5.235319854,14.95878668,7.347580682,46.67045166,1.222144104,2.277077165,30.73022022,3.323085673,50.92219414,0.55478951,2.915099939,20.39417956,1.585611345,43.29534347,0.092464558,2.593337512,13.54108614,1.56215299,35.15773926,0.496386944,4.454081331,6.49831706,1.510860261,25.64965762,0.82386788,63.54279358,0.983909216,0.520535537,0.976871505,0.015126072,0.57269541,0.52175698,0.430536831,65.04723834,96.10878211,193.7000793,0.965307257,1.52498922,61.19453564,0.497027557,0.14955385,0.989544474,0.00803717,0.531168866,0.140955576,0.035808845,61.84111704,39.64158133,106.0314341,0.984316711,0.707933287,61.36133798,0.668733654,0.29254028,0.98457584,0.010730193,0.53405776,0.241746598,0.135529362,62.32261192,59.18068629,133.5075107,0.97686376,0.91133372,63.68208517,0.970669913,0.507583925,0.977313595,0.014896637,0.575203424,0.512577735,0.41189863,65.160339,94.63098321,191.1672591,0.965970393,1.499679789,61.66540371,0.756360975,0.360315581,0.982213451,0.012047402,0.539367417,0.304627908,0.203722436,62.78208027,69.13283929,148.7205084,0.973320176,1.047717761,63.90261607,1.025499201,0.549557385,0.975945135,0.015661815,0.579197137,0.568236663,0.481007623,65.47767266,101.213807,202.7051191,0.963917702,1.628441423,63.69295586,0.976414646,0.51072711,0.977184113,0.014980258,0.575393251,0.519832488,0.417338092,65.18009762,95.21913564,192.1617276,0.965776169,1.512563831 +UMLPP0002,L,Iso-butyl Alcohol + Oleic Acid,CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C,UML,"stereochemistry Z +CCCCCCCC\C=C/CCCCCCCC(=O)OCC(C)C",-50,0,-1.6095,2.59049025,86.9694,68.329306,0,0,66,24,42,0,22,0,2,0,0,0,0,0,0,0,3728.421352,3970.272083,4670.30642,4494.267026,4169.400129,4131.502061,3681.512794,3400.186881,3203.430152,11055.67066,14197.46443,18995.46406,20040.83333,18731.13412,17842.43914,17161.3639,16035.4887,15028.69036,474.770272,479.852516,901.153928,1223.908784,1210.427676,1034.005652,1040.31628,1001.22594,938.34104,81.31595,106.564881,154.5817486,172.3138164,160.7940623,150.7184326,147.0354668,140.1406848,131.119156,10926.91979,9427.064111,19320.82913,28028.06094,28020.71648,23480.19501,23602.80008,23231.75109,21752.79593,161.5555556,140.9166667,243.4166667,300.1388889,298,271.25,275,232.75,220.8333333,56.49123261,61.08110897,37.66376145,26.28226331,24.81785791,28.69098653,25.56606107,24.11480057,24.26841024,167.5101615,218.4225297,153.1892263,117.1978557,111.494846,123.9058273,119.1761382,113.7268702,113.8537148,7.19348897,7.3823464,7.267370387,7.15736131,7.204926643,7.180594806,7.224418611,7.100893191,7.108644242,1.232059849,1.639459708,1.246627005,1.007683137,0.957107514,1.046655782,1.02107963,0.993905566,0.993326939,165.5593908,145.0317556,155.8131381,163.9067891,166.789979,163.0569098,163.9083339,164.7641921,164.7939086,2.447811448,2.167948718,1.963037634,1.755198181,1.773809524,1.883680556,1.909722222,1.65070922,1.672979798,0.344057127,-0.165420435,0.012286772,0.015204781,-0.066415211,0.060880434,-0.032732653,0.005868921,-0.02023063,1991.546992,-19.90732537,-491.2309134,-90.74129131,111.5145369,-17.68386065,-472.6029994,-1.766005876,-3.623279273,3280.955175,-151.6802466,-1151.642821,-392.3920449,580.2785323,-124.7089545,-451.8278996,3.939085528,3.249438749,2.317104485,0.059032129,0.83205315,0.034753895,-0.514373234,-0.048361421,-0.613807361,-0.049121157,-0.058442182,14.6154893,-1.018802137,-5.289980496,-2.468620171,3.466886023,-0.898014,-0.954681682,0.00726379,0.007112708,80.24325696,-6.108163574,-28.53195266,-14.65211816,20.11885928,-5.504475402,-3.550231057,-0.002798544,-0.002801721,44.22222222,0.027777778,10.97222222,-0.305555556,-7.555555556,3.25,-14.33333333,-1.916666667,-1.833333333,0.005212987,-0.00254493,9.91E-05,8.89E-05,-3.95E-04,4.23E-04,-2.27E-04,4.16E-05,-1.53E-04,30.17495442,-0.306266544,-3.961539624,-0.530650826,0.663777005,-0.122804588,-3.281965274,-0.012524864,-0.027449085,49.71144205,-2.333542255,-9.287442101,-2.294690321,3.454038883,-0.866034406,-3.137693747,0.027936777,0.02461696,0.035107644,9.08E-04,0.006710106,2.03E-04,-0.003061745,-3.36E-04,-0.004262551,-3.48E-04,-4.43E-04,0.221446808,-0.015673879,-0.042661133,-0.014436375,0.020636226,-0.006236208,-0.006629734,5.15E-05,5.39E-05,1.215806924,-0.093971747,-0.230096392,-0.085684902,0.119755115,-0.038225524,-0.024654382,-1.98E-05,-2.12E-05,0.67003367,4.27E-04,0.088485663,-0.001786875,-0.044973545,0.022569444,-0.099537037,-0.013593381,-0.013888889,-0.488190337,0.019007696,0.017056795,-0.075835343,0.081101451,-0.043604578,0.007984588,-0.029400103,-0.010149694,-0.131285687,-0.017585804,0.021997614,-0.004069752,-0.108764548,-4.15E-04,-9.10E-04,-0.046941753,-0.186827051,-0.046160204,0.069481768,-0.017421229,-0.06311814,5.62E-04,4.95E-04,0.025868629,0.19112949,0.005789029,-0.087210223,-0.009566099,-0.121413763,-0.00992311,-0.012611037,-0.070779431,-0.192647316,-0.065191165,0.093188186,-0.028161202,-0.029938268,2.33E-04,2.43E-04,-0.07729167,-0.189254057,-0.070475747,0.098498464,-0.031440456,-0.020278205,-1.63E-05,-1.75E-05,6.38E-04,0.132061517,-0.002666843,-0.067121321,0.033684045,-0.148555276,-0.020287608,-0.020728643,1.582409376,1.014479713,1.00842692,1.340330072,1.105832691,1.10018435,0.787288062,0.861319713,1.288567338,1.244460771,1.00445219,0.972186639,1.012625266,1.13635958,0.948431947,0.953228887,1.456694298,1.352414597,1.038314521,0.861576976,1.029306299,1.053268274,0.97724042,0.976293667,0.748663693,0.733437905,0.950468715,1.455250671,1.018345466,1.407014489,0.75435332,0.795706392,1.523386972,1.376741734,1.057909466,0.832090057,1.042595518,1.020738043,0.977238005,0.976051089,1.534629185,1.375851819,1.062875306,0.831002233,1.046635964,1.015370655,0.97415346,0.973476029,0.634422111,0.538022775,0.843086044,1.246625613,1.180642797,1.853473095,0.761854485,0.804519758,357.9207317,179.2103658,285.561372,358.379065,14.93246104,179.2103658,0.5,0.123956636,0.00516486,-5.01077636,249.9106708,10.41294462,13.25064849,357.9466904,179.2226108,285.5773115,358.4036773,14.93348656,179.2226108,0.498531158,0.123822049,0.005159252,-5.013383608,249.8042553,10.40851064,13.24962632,381.1237518,190.1628814,300.1316694,380.392262,15.84967758,190.1628814,-0.797988956,0.004231535,1.76E-04,-13.11645689,226.0525711,9.41885713,13.00984221,357.9739351,179.2354624,285.5940415,358.4295089,14.93456287,179.2354624,0.4969896,0.123680795,0.005153366,-5.016123034,249.6929987,10.40387495,13.24855718,406.0400146,201.9377131,316.5228708,404.0558085,16.83565869,201.9377131,-2.164588529,0.122055879,0.005085662,-5.047863149,742.4803915,30.93668298,15.86399151,360.6415609,180.4939147,287.2363658,360.9589736,15.03995723,180.4939147,0.346268372,0.109856448,0.004577352,-5.300593878,240.6176608,10.02573587,13.15970209,378.6101608,189.3951241,302.8439694,379.3298443,15.80541018,189.3951241,0.959577922,0.154586073,0.006441086,-4.480810157,216.4830035,9.020125144,12.90602889,0,11.89,15.99592572,-0.315434707,0.261541473,4.351140087,7.80482808,23,65,63,63,21,2,2,0,0,2,48.788694,3.598228946,3.559786351,3.462379107,3.381112119,3.272973282,3.139149673,2.940970828,2.738715368,1.946849036,1.905467937,1.835748446,1.806649063,1.710213408,1.574009179,1.436815703,1.288469817,3.60436937,3.532029401,3.468250432,3.403883325,3.278752782,3.14028788,2.935344241,2.750878074,1.893445587,1.85282909,1.797152706,1.745427401,1.650023142,1.518706912,1.380916221,1.236765594,3.716527924,3.674420662,3.609729028,3.536198542,3.43016655,3.302236995,3.12946411,2.958936391,1.732216175,1.67037873,1.603278661,1.557519813,1.44094641,1.300217099,1.121909291,0.955865824,3.621297907,3.544429902,3.477915649,3.423240837,3.295989691,3.153926652,2.94839622,2.76797744,1.861855669,1.825958349,1.772612884,1.706576487,1.613267965,1.487804649,1.347314056,1.199689772,3.765942291,3.717802563,3.660241639,3.597244297,3.491032781,3.359830755,3.196496953,3.036620524,1.683850025,1.61934886,1.556390207,1.500126862,1.381072224,1.24295204,1.055988718,0.884796981,5.030875442,3.693212239,3.572927887,3.523831078,3.45249607,3.288306291,3.140615107,3.018258744,1.820451818,1.787673877,1.653130805,1.630927723,1.546571557,1.355726283,1.21011379,1.011097612,0,0,1,2,0,4,14,1,0,0,0,0,0,0,0,0,0,0,0,0.696923425,0,0,0,0.467173856,0,0,0,0.696923425,0.573192931,0.807677536,0.25,0.16631516,0.199735791,17.8826226,11.66390246,8.814791438,5.537293031,3.626308321,2.654669408,1.553044132,1.035668037,0.745109275,0.507126194,0.367282977,0.251695138,0.172681349,0.126412829,0.08628023,0.060921649,16.65514911,10.47036234,7.411148248,4.220356826,2.671859101,1.766608142,1.083216945,0.682616714,0.693964546,0.455233145,0.308797844,0.191834401,0.127231386,0.084124197,0.060178719,0.040153924,34.80798209,64.30589949,60.93333333,61.76,39.73012335,506.6450934,0.527393668,0.97433181,0.923232323,0.935757576,0.601971566,7.676440809,7.14929,104.979,189.9274519,301.9146953,379.8549037,15.82728765,189.9274519,0.098249891,0.004093745,-5.568578742,316.8327874,13.20136614,13.82009796,738,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,19,3,0,2,0,0,0,0,0,0,0,0,3,0,15,0,2,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.62454164,4.69554952,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.50525427,0,0,5.848076001,1.149423369,0,0.50525427,0,0,0,0,0,0,0,0,6.398149352,0,17.84836811,0,4.722098191,0,0.433391386,0,0,-0.026548671,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.45004724,5.1744944,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.1744944,-0.026548671,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.251312523,0,0,0.212590712,0.307968893,0,0.251312523,0,0,0,0,0,0,0,0,2.06481692,0,0.559432583,0,2.356471979,0,0.433391386,0,0,-0.026548671,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.45004724,5.1744944,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.45004724,2.365626212,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.253941747,0,0,0.559705005,0.51949267,0,0.253941747,0,0,0,0,0,0,0,0,2.268515513,0,1.412363734,0,2.365626212,0,0.433391386,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.45004724,5.1744944,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,46,1.916666667,0.559705005,11.45004724,0.015069538,-0.026548671,12.87703614,1.693215337,4.450047235,14.48957836,1.693215337,4.450047235,14.48957836,11.66666,0.48611,0,0.01389,0.46869,0.76389,0.42973,0.46373,0.76389,0.03896,0.00496,-0.034,0,0.63636,0.07793,0,0.15714,0.08571,0,14.75,0.61458,12.25,0.51042,2.5,0.10417,-9.75,-0.40625,0,0,30.53554,1.27231,36.55928,6.02373,0.25099,10.07312,0.41971,11.66389,1.59077,0.06628,0.25011,0.01042,0.25011,0.01042,0,23.02,2,2,2,2,0,0,0.863636364,1.096139159,2.037717656,3.369349156,4.156709552,4.546002407,4.621422196,72.34518451,134.4893653,222.3770443,274.3428305,300.0361589,305.0138649,0.181348062,0.337125213,0.557433729,0.687696644,0.752102248,0.764579891,4.94825496,4.006676464,2.675044963,1.887684567,1.498391712,1.422971924,0.180699479,0.335919501,0.555440095,0.685237131,0.749412392,0.761845408,9.203044452,18.69105177,23.22369051,25.83201961,27.0162762,26.42609372,89.61234859,58.49999189,46.07419146,34.55140989,29.88299006,31.21402258,24,19.32638889,21,24,3,18,3.66,3.2398,0.312822796,5.52846157,1.430709411,0,28.42338871,4.479465364,0,0.333333333,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.464,0.45,0.619,0.201,11.054,24,22,21,21,18,17,16,15,14,215,3.258096538,3.36729583,3.33220451,3.33220451,3.401197382,3.258096538,3.258096538,3.258096538,3.258096538,3.295836866,5.659482216,1.330232558,0.476190476,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18,0.782608696,21,0.913043478,2,11,21,0.909090909,2.5,0.888888889,0.375,0.4,0.166666667,0.12244898,0.09375,0.074074074,0.06,0.049586777,0.108695652,0.037037037,0.017045455,0.019047619,0.007936508,0.006802721,0.005514706,0.00462963,0.004,0.003541913,0.241079525,189.9274519,301.9146953,379.8549037,15.82728765,189.9274519,0.098249891,0.004093745,-5.568578742,316.8327874,13.20136614,13.82009796,26.3,401.3756565,5.584962501,4.553876892,5.231108617,5.942799375,6.634633358,7.347943823,8.047189562,8.761080104,9.465060107,10.17948917,113.163181,3.850147602,0,4.96284463,0,6.196444128,0,7.486052618,0,8.809414944,9.12489141,338.3184806,5.126037585,46.4827394,1.936780808,5.423082952,5.423082952,0,2194,22,9.591,94,1.235199597,2.141787297,2.899577084,3.648518612,4.997944572,5.984399222,7.224892998,8.357523514,9.63260508,10.79253583,87.56711536,90.39105172,90.20049004,114.4205169,165.4397553,179.2359913,199.5244662,230.5022178,262.0871397,291.2842375,296.9424324,352.8915461,373.4795987,477.5899626,679.4462909,790.2931208,893.6036885,1032.715261,1173.728215,1313.167189,9.169222183,15.64221561,20.82982913,26.47335664,36.03071643,43.37282681,51.51026162,59.64855203,68.78393993,76.69670711,2.168357695,2.813855306,3.1090147,3.936882275,5.591810477,6.597793184,7.62012882,8.806441343,10.02373018,11.27568021,176.9102009,329.959972,471.3064694,594.7144115,805.3673335,965.997281,1177.732429,1361.871084,1574.249832,1759.463666,2.764693077,4.364072407,5.231855859,6.753943411,9.647717137,11.60622117,12.2745734,14.37961713,16.93419043,18.19906217,0.461272683,0.612419342,0.687767329,0.874065771,1.231339523,1.455007879,1.66554761,1.928196648,2.20073328,2.464174471,794.9598624,1277.997576,24.33041125,130.7517609,-210.199837,-16.81926141,664.2081016,1488.197413,41.14967266,0.858755408,1.380556908,0.026282927,0.141244592,-0.227068378,-0.018169007,735.9035847,1183.057211,22.52294449,121.0384248,-194.5844324,-15.56978578,0.162636372,0.196155561,0.920645026,1.340709042,881.0348215,44.67680184,0.951737884,0.048262116,1587.843004,39.84774779,11.66637288,2007.351204,44.80347312,12.61462818,2888.953158,53.74898286,14.24230122,4.728923229,4.728923229,22375.08823,22251.1817,217.1349554,1.005568537,103.0469193,102.4762764,9.406577421,14.5265711,27.83527155,0.916162551,16.69287381,19.02728766,8.348697804,83.39112227,39.84120897,5.500567896,21.83583241,13.62264173,65.98146252,0.713260372,4.857098821,53.73656502,6.101082204,74.88042904,1.304522689,5.686737645,37.59238775,1.531263246,69.12407034,0.858138394,3.187793926,28.78382154,2.038132794,65.42679768,1.3231433,5.238278855,16.18248334,3.11806879,45.56866843,1.824750182,1.408304919,19.3002244,0.721321307,21.66945444,1.165413378,0.526052873,3.223224689,0.226496071,18.90912319,0.007499666,0.560908659,5.460087918,0.17125668,16.97971599,0.014075139,0.55307925,2.655873961,0.095372408,14.07758039,0.051782258,0.733089913,0.769672485,0.122655517,10.23895205,0.085605104,1.636699451,0.303727745,0.145089943,7.232330626,0.076242313,4.524963357,18.76303882,2.152891257,25.01971526,3.408447062,1.527925303,6.540233034,1.206120206,24.23734432,0.058710554,1.048411594,13.31365234,0.738070625,24.95137184,0.108300947,1.03929314,6.492315904,0.329653949,21.3120593,0.180493091,0.959891662,3.44531033,0.427757818,17.74701841,0.29310497,1.93937895,1.589180278,0.544121318,12.54366025,0.296788662,15.75899791,19.31383882,8.211646724,77.73229744,35.94066105,5.211432195,21.60958149,12.4361173,63.86227004,0.63720708,4.790709123,50.52889922,5.60158457,72.00457129,1.16567141,5.192404765,34.71823742,1.422621114,65.77805871,0.796079404,3.016057939,26.0653643,1.890485588,61.59247167,1.23142436,4.971044634,14.67821629,2.862549858,42.94093815,1.669467642,6.665569764,18.55991626,3.078071226,29.98276265,6.60406107,2.21654391,8.697310284,2.336322296,28.85221925,0.121434279,1.417987821,19.29903927,1.295142146,31.26016081,0.223217662,1.540757475,10.11093957,0.507926689,27.32982275,0.27950364,1.191051933,6.168750182,0.662702674,23.88366679,0.448940641,2.279084024,3.012004908,0.879749079,16.84414747,0.488675334,20.15907069,19.21757449,10.38811593,112.205975,57.91033645,6.646459383,27.09959376,19.72200953,83.21814393,1.032147336,6.562772624,67.63079069,8.570177523,94.04596187,1.886582797,7.787662421,50.6703724,1.957412342,87.6557808,1.102328489,4.165716124,40.35102312,2.619306065,84.13940041,1.680856065,6.666799311,23.1691016,4.147624338,58.39979664,2.45446459,10.49440337,18.68165964,5.989024625,50.81852969,17.79638744,3.743093215,16.51233492,6.673611461,53.46176619,0.281087001,4.490526268,33.5347078,3.233694187,55.37155698,0.513221475,2.67115861,21.45136076,0.799737585,48.02894557,0.443811013,1.983572061,13.1562044,1.146917601,40.27143704,0.889119734,3.550513177,7.667107896,1.505466029,29.04838631,0.859470823,70.26569662,0.961893905,0.519983553,0.979345957,0.01340664,0.574509545,0.559317253,0.426937917,71.74757408,104.6253209,211.5176189,0.969018936,1.560764715,66.09798339,0.508339892,0.137929076,0.990317234,0.007616235,0.50839404,0.15343566,0.030252369,66.74425236,42.7871904,114.1658931,0.985475851,0.692082069,67.52971655,0.655994666,0.288632652,0.986204653,0.009580153,0.530639882,0.257728054,0.130572254,68.47434387,63.97975647,145.2402768,0.97930698,0.91894019,70.16845201,0.954415236,0.505243428,0.979621706,0.01332459,0.572914574,0.550609853,0.404459115,71.62811067,102.9042009,208.3683829,0.96943256,1.527983543,68.26883217,0.734294051,0.35963876,0.984228818,0.010586286,0.542325676,0.323414362,0.201887139,69.36276498,74.94559606,162.3368353,0.976343227,1.067627177,70.63186662,1.003884682,0.548899627,0.978488719,0.013907177,0.580511524,0.609940762,0.476673147,72.18465093,110.2270862,221.3321507,0.967733079,1.667125432,70.22501251,0.962251064,0.507686425,0.979497336,0.013421462,0.573835903,0.558753414,0.40838096,71.69495,103.7149004,209.7163001,0.969246004,1.540970277 +UMLPP0003,L,2-Ethylhexyl Alcohol + Oleic Acid,CCCCCCCCC=CCCCCCCCC(=O)OCC(CC)CCCC,UML,"stereochemistry Z +CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CC)CCCC",-35,0,-2.9943,8.96583249,100.4884,80.70365,0,0,78,28,50,0,26,0,2,0,0,0,0,0,0,0,4313.606348,4644.185271,5445.140568,5523.42596,5419.411279,5335.677727,5070.261917,4494.254506,4189.644801,12998.40822,16809.42497,22649.6525,24518.28154,24036.28796,23264.21539,22357.30276,20844.61652,19262.08352,558.680048,566.955636,1072.07196,1475.495816,1467.084388,1423.979428,1342.91126,1318.014208,1197.903132,96.02845324,126.6288355,185.3325092,210.4127804,205.1786358,197.8284385,189.8113037,179.841514,166.9424459,12913.43843,11159.22192,23017.63792,33954.81538,33554.90416,32667.96398,30469.81343,30259.4314,27701.16569,178.5555556,162.0833333,279.4166667,343.8055556,359.4166667,351.5,355.5833333,336.9166667,293.3333333,55.30264549,60.31409443,36.79149032,26.6832172,26.56574156,26.94786731,27.25947267,24.55876779,24.93836191,166.6462592,218.3042203,153.0381926,118.4458045,117.824941,117.4960373,120.2005525,113.9050083,114.6552591,7.162564718,7.363060208,7.243729459,7.127999111,7.191590137,7.191815293,7.219953011,7.202263432,7.130375786,1.231134016,1.644530331,1.252246684,1.016486862,1.005777627,0.999133528,1.02049088,0.982740514,0.993705035,165.556903,144.92496,155.5245806,164.0329246,164.4848243,164.9897171,163.8162013,165.3520842,164.887891,2.289173789,2.104978355,1.88795045,1.660896404,1.761846405,1.775252525,1.911738351,1.841074681,1.746031746,0.361551139,-0.165169256,-0.001163732,0.009560008,-0.033605129,0.005155008,0.025658131,-0.032856999,0.007290105,2316.485068,-20.59530459,-656.4737459,158.701984,-92.41928631,121.1590379,-273.4176949,-283.2010859,26.00495765,3882.073007,-152.7604238,-1456.648386,61.2845128,-92.43099786,292.995485,-407.6461675,-125.0095358,75.54577314,2.390863179,0.06280522,0.811188634,0.112685049,-0.286228931,-0.238570738,-0.347971684,-0.584213049,-0.115211258,17.29945784,-1.020187644,-6.637698507,-0.454037252,-0.336576045,1.351159542,-1.692603291,0.415704445,0.343709174,94.82169438,-6.10766299,-35.81909739,-3.718710356,-1.823576014,7.284417158,-9.108095536,3.729141874,1.818731517,45.17094017,0.398915187,9.864398422,0.35190664,-5.949211045,-2.985207101,-4.384122288,-11.83481262,-0.645956607,0.004635271,-0.002145055,-7.86E-06,4.62E-05,-1.65E-04,2.60E-05,1.38E-04,-1.80E-04,4.34E-05,29.69852651,-0.267471488,-4.435633418,0.766676251,-0.453035717,0.611914333,-1.469987607,-1.547546917,0.154791415,49.77016676,-1.983901608,-9.842218824,0.296060448,-0.453093127,1.479775177,-2.191646062,-0.683112218,0.449677221,0.030652092,8.16E-04,0.005481004,5.44E-04,-0.001403083,-0.001204903,-0.001870816,-0.003192421,-6.86E-04,0.221787921,-0.01324919,-0.044849314,-0.002193417,-0.001649883,0.006824038,-0.009100018,0.002271609,0.002045888,1.215662748,-0.079320299,-0.242020928,-0.017964784,-0.008939098,0.036789986,-0.048968256,0.020377824,0.010825783,0.579114618,0.005180717,0.066651341,0.001700032,-0.029162799,-0.015076804,-0.02357055,-0.064671107,-0.00384498,-0.462768039,-0.001696353,0.009963519,-0.035538596,0.005616801,0.029760275,-0.038734832,0.009361584,-0.009006221,-0.149355336,0.025815296,-0.015254485,0.020604198,-0.049496988,-0.052108542,0.005212091,-0.039861261,-0.197753382,0.005948552,-0.009103709,0.029732172,-0.044035337,-0.013725335,0.009035076,0.026610001,0.178813383,0.017759708,-0.045774461,-0.039308988,-0.06103386,-0.104150184,-0.022373067,-0.059738105,-0.202217118,-0.009889703,-0.00743901,0.030768304,-0.041030267,0.010242257,0.009224524,-0.065248605,-0.199085584,-0.01477777,-0.007353271,0.030263316,-0.040281119,0.016762728,0.008905252,0.008945926,0.115091795,0.002935571,-0.05035756,-0.026034231,-0.04070101,-0.111672379,-0.006639411,1.578637441,1.037866881,0.986270776,1.281121767,1.371260878,1.37170007,1.329494154,1.045944555,1.316868597,1.279416447,0.961716025,1.03781344,0.998126847,1.094975643,1.073890825,0.976496051,1.463099312,1.375816107,0.988184182,0.990166636,0.941238749,1.037974709,0.974898632,0.965938138,0.765244961,0.746777448,0.923568699,1.376672655,1.404888562,1.501686179,1.565087331,1.044831293,1.519743761,1.396578781,1.004489889,0.98732072,0.938054662,1.034700133,0.948106526,0.964645155,1.529305037,1.39557418,1.008888497,0.991086205,0.94264472,1.039262193,0.946726626,0.965187581,0.639545885,0.55733399,0.813201843,1.211512304,1.216777042,1.685924482,1.779931604,1.238313032,467.9882088,234.2441044,370.7635408,468.4524945,16.73044623,234.2441044,0.5,0.199748491,0.007133875,-4.509949493,272.9679382,9.748854937,15.70619217,468.0258989,234.262215,370.7907128,468.4888207,16.7317436,234.262215,0.498531158,0.199602855,0.007128673,-4.511991717,272.9885586,9.74959138,15.70640368,501.4569324,250.3294717,395.4862748,500.7159426,17.88271224,250.3294717,-0.797988956,0.075962345,0.002712941,-7.217049065,361.808294,12.92172479,16.49512059,468.0654554,234.2812225,370.8192319,468.5269457,16.73310521,234.2812225,0.4969896,0.19945002,0.007123215,-4.514136476,273.0104375,9.750372766,15.70662808,537.0004637,267.4179376,422.9534714,534.9904887,19.10680317,267.4179376,-2.164588529,0.041834262,0.001494081,-8.887310941,330.598527,11.80709025,16.24253324,471.9353334,236.1408009,373.6175252,472.2568683,16.86631672,236.1408009,0.346268372,0.184567722,0.006591704,-4.731268705,276.3788723,9.870674012,15.74096342,489.8985917,245.0127468,387.2025758,490.6472148,17.52311482,245.0127468,0.95279304,0.206073704,0.007359775,-4.422659881,260.0766195,9.288450695,15.57073358,0,11.89,15.99592774,-0.315427041,0.261556201,4.459204537,9.017991838,27,77,75,75,25,2,2,0,0,2,57.53435,3.618132984,3.572839402,3.495576621,3.435478497,3.312499669,3.199950775,3.139005552,2.951884726,1.94724496,1.926274831,1.902710682,1.813415006,1.726417698,1.707404577,1.575879944,1.458644229,3.606024502,3.579214669,3.516327879,3.441096655,3.300372191,3.232068058,3.143023057,2.947768646,1.896334837,1.879868763,1.843581342,1.760307122,1.670459707,1.638383907,1.523888418,1.402636731,3.727475316,3.701601575,3.642541784,3.572294504,3.460300496,3.389640937,3.306609611,3.144126644,1.733101111,1.707191807,1.663917426,1.579874195,1.455259298,1.418290127,1.303476839,1.135843754,3.622070107,3.590610502,3.535750609,3.4561222,3.31177134,3.257434586,3.15665708,2.960008473,1.870902495,1.84932799,1.806103252,1.729615419,1.639458948,1.59283117,1.494519688,1.366476125,3.770734206,3.751050202,3.701140808,3.623483953,3.514489271,3.463690355,3.364934298,3.213299461,1.685373837,1.660696917,1.608523939,1.528810597,1.399478366,1.348628988,1.246553852,1.069946644,5.071101836,3.704393544,3.620875544,3.533987885,3.464684236,3.372753996,3.298320568,3.18273235,1.814984429,1.808101787,1.777172134,1.635442517,1.541066206,1.502690649,1.346700884,1.204147704,0,0,1,2,0,4,18,1,0,0,0,0,0,0,0,0,0,0,0,0.49279928,0,0,0,0.26304971,0,0,0,0.90104757,0.982658878,1.014934871,0.515128379,0.513307031,0.456091092,20.71104972,13.73991207,9.837446807,6.911467148,4.574062386,3.224261979,2.152997162,1.261260269,0.739680347,0.508885632,0.351337386,0.246838112,0.169409718,0.11941711,0.086119886,0.057330012,19.48357623,12.54637194,8.433803617,5.666001849,3.521151453,2.304691985,1.403731147,0.777978178,0.695842008,0.464680442,0.301207272,0.202357209,0.130413017,0.085358962,0.056149246,0.035362644,40.9752933,75.8572469,71.83529412,72.8,46.92434132,598.7581138,0.525324273,0.972528806,0.920965309,0.933333333,0.601594119,7.676386074,8.70969,123.447,247.5080711,391.7121211,495.0161421,17.67914793,247.5080711,0.180953074,0.00646261,-4.786649115,283.4285856,10.12244948,15.81148853,983,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,23,3,0,2,0,0,0,0,0,0,0,0,3,0,19,0,2,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.30293882,4.749080708,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.49655174,0,0,6.893845409,1.149423369,0,0.49655174,0,0,0,0,0,0,0,0,6.67864219,0,22.71562282,0,4.742065982,0,0.55371546,0,0,0.007014727,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83977662,5.463162201,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.463162201,0.007014727,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.247248686,0,0,0.212590712,0.307968893,0,0.247248686,0,0,0,0,0,0,0,0,2.192462185,0,0.599574302,0,2.367162381,0,0.55371546,0,0,0.007014727,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83977662,5.463162201,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83977662,2.3749036,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.249303053,0,0,0.559705005,0.51949267,0,0.249303053,0,0,0,0,0,0,0,0,2.272394864,0,1.412850759,0,2.3749036,0,0.55371546,0,0,0.007014727,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83977662,5.463162201,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,52,1.857142857,0.559705005,11.83977662,-0.113116403,0.007014727,15.39622209,1.65965194,4.839776622,16.44729399,1.65965194,4.839776622,16.44729399,13.66666,0.4881,0,0.0119,0.46325,0.75476,0.43023,0.45917,0.75476,0.03302,0.00408,-0.02893,0,0.64669,0.0676,0,0.13415,0.07317,0,16.75,0.59821,14.25,0.50893,2.5,0.08929,-11.75,-0.41964,0,0,38.60511,1.37875,45.21758,6.61246,0.23616,12.14913,0.4339,13.7399,1.59077,0.05681,0.1741,0.00622,0.1741,0.00622,0,27.02,2,2,2,2,0,0,0.884615385,1.075091422,1.92397486,3.217646861,4.107804302,4.650992687,4.854840566,83.85713091,150.0700391,250.9764552,320.4087355,362.7774296,378.6775641,0.171045764,0.306102107,0.51192378,0.653546767,0.739967392,0.772399346,5.210310797,4.361427359,3.067755358,2.177597917,1.634409531,1.430561653,0.170547084,0.305209673,0.510431278,0.651641367,0.737810034,0.770147434,8.921996436,17.50377619,22.48206279,25.81496892,27.31434246,27.97710397,105.1487929,73.00187473,55.9775057,40.97585766,33.6375587,31.42864345,28,23.28061224,21.55612245,28,3,18,4.1,3.8034,0.204264485,6.847846235,0.887929379,0,0,6.734374376,0,0.333333333,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.464,0.45,0.619,0.201,13.05,28,28,27,27,25,22,21,19,18,270,3.401197382,3.496507561,3.526360525,3.526360525,3.583518938,3.555348061,3.465735903,3.465735903,3.401197382,3.433987204,5.846438775,1.277777778,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22,0.814814815,25,0.925925926,2,12,24,1,2.5,1.111111111,0.5,0.48,0.333333333,0.163265306,0.125,0.074074074,0.06,0.049586777,0.092592593,0.03968254,0.017857143,0.017777778,0.012345679,0.006530612,0.005681818,0.003527337,0.003157895,0.002754821,0.223452689,247.5080711,391.7121211,495.0161421,17.67914793,247.5080711,0.180953074,0.00646261,-4.786649115,283.4285856,10.12244948,15.81148853,26.3,470.559595,5.807354922,4.709530201,5.407171771,6.124683391,6.838405201,7.562681247,8.283746747,9.01225522,9.738082108,10.46985195,123.1464078,4.007333185,0,5.117993812,0,6.368187186,0,7.684783944,0,9.041329829,9.345657669,394.3810808,5.056167703,54.48793877,1.945997813,5.506024971,5.506024971,0,3333,28,11.867,110,1.235935946,2.144009841,2.900251013,3.668838663,4.88794259,5.900302541,7.071175877,8.115502783,9.434531145,10.54671826,86.76443502,88.57811712,91.94031185,120.5828759,153.1971634,185.4611865,197.7906295,232.1713016,259.2739575,279.9167108,297.3945547,353.1462882,379.0124788,501.1422574,632.4288982,780.2905644,871.1700615,1017.448408,1172.200848,1283.540521,9.149100222,15.60363833,20.75198744,26.57330131,35.26040266,42.79682924,51.05900038,58.13283779,67.67001692,74.73285495,2.178898873,2.830807463,3.14703524,4.122980795,5.236285901,6.461716827,7.347056994,8.604003028,9.970229834,11.06909391,176.8335149,329.6675469,471.4723873,589.9562387,796.5267336,953.113665,1158.227074,1321.535593,1536.979457,1717.7838,2.686047039,4.188013023,4.955860025,6.740069696,8.901853545,11.53100059,13.1579686,14.62738624,17.03014806,17.08784956,0.46140868,0.612752096,0.6905068,0.910756519,1.161090387,1.436265023,1.63130241,1.891545249,2.18965835,2.405814281,950.1837302,1729.09519,28.89075225,170.4385846,-310.1553178,-19.66927168,779.7451456,2039.250508,48.56002393,0.847907201,1.542977654,0.02578099,0.152092799,-0.276770607,-0.017552097,1064.797091,1937.662654,32.37562166,190.9972812,-347.5669701,-22.04182476,0.143678453,0.173279281,1.052809008,1.268242879,1072.456087,48.1662277,0.957018322,0.042981678,1834.081994,42.82618351,12.24069986,2333.712174,48.30851037,13.26424181,3469.108115,58.89913509,15.13814329,6.686823426,6.686823426,31433.3692,31224.5149,333.1159816,1.006688793,94.36163661,93.73466488,10.4771271,15.83773688,31.59968265,0.995214524,19.96267612,22.54949251,11.15782852,99.11133808,53.42446744,7.879883166,30.11321956,20.36135829,77.3406034,5.112089548,6.787886418,68.97254752,11.20827509,85.22707355,5.527349384,7.382006848,44.88356945,1.759096856,82.59072535,3.168034556,3.158031488,35.14765338,1.998904222,80.70198156,1.429113104,6.240282938,20.16684227,3.602192384,60.70922727,2.425094215,1.682381903,22.8087627,0.880677146,24.60051856,3.254627258,0.714482202,5.160306658,1.365396714,22.01338542,0.361148152,0.965922086,8.358510712,0.334910067,20.00692161,0.713754157,0.929464064,3.985216801,0.080565574,14.66502082,0.098537739,1.135308589,0.916515859,0.117182345,10.81369653,0.077957336,2.287504235,0.345526918,0.149405903,7.899356395,0.114682295,5.410679174,22.28751242,2.708977288,28.84276978,6.277086722,2.010595348,9.37338785,3.170020478,27.87535092,1.043144214,1.810082536,17.50920252,1.408631611,28.16719063,1.321337762,1.521104036,7.943099777,0.303572326,23.87277476,0.407310166,1.25184303,4.079753313,0.411499029,20.52425803,0.279199182,2.556008466,1.918511295,0.58160222,15.15526576,0.428738393,18.84532079,22.82711585,10.82709867,92.03315066,48.57507825,7.684015167,29.78972576,18.51595674,75.01513499,4.763709404,6.503246194,65.61712734,10.30346613,82.81535637,5.100011489,6.927628776,41.65650378,1.615517258,78.08649986,2.867703073,3.079212212,31.80802091,1.851947726,75.43922762,1.320020218,5.997552426,18.16418752,3.294394874,56.57875265,2.227917107,7.971105713,22.09076923,3.944387334,34.93622159,10.44766207,2.876965659,12.14879273,5.012632373,33.12834628,1.5855336,2.451184766,24.61793984,2.443774426,34.88244646,1.84976228,2.104086491,11.97753352,0.491797155,31.44496046,0.713627419,1.405833336,7.35967051,0.640196493,28.43336889,0.43948317,2.903679646,3.710923242,0.959229165,21.1255029,0.69110739,24.10783004,22.73693279,14.04948732,133.753175,76.58919472,9.847889462,37.63495749,28.22178061,98.04452634,6.692899603,8.703258554,87.3379431,15.67669497,107.4264921,7.260208166,10.07856591,60.73715236,2.344677028,105.2803947,4.407670284,4.039859014,49.47666738,2.579091111,104.2478022,1.862983037,7.843140088,28.9140266,4.851357585,78.63939559,3.218435591,12.66852024,22.28400324,7.713655124,58.52817449,25.27094081,5.259408762,24.15451605,9.998444052,61.84785789,3.130289017,5.000018971,47.68836321,6.254289208,69.16776893,3.162566438,4.083078225,29.38812307,0.917141588,54.69325517,1.528648174,2.386855901,16.21642587,1.144046028,47.09394545,0.907268113,4.635566312,8.964568409,1.742251331,35.28481988,1.256579748,87.03451293,1.181395173,0.539387856,0.980612052,0.013310701,0.575083673,0.380579085,0.409055416,88.75529596,150.404743,294.6210599,0.970918079,1.364718173,79.17070034,0.695531416,0.157489107,0.989340404,0.008691566,0.475803769,0.128530677,0.03514078,80.02372087,67.64377087,156.3397411,0.984010606,0.639475225,83.29864019,0.860251503,0.304917044,0.986205115,0.010184853,0.526746272,0.198193188,0.129021253,84.46380873,97.3192609,203.6327482,0.979307672,0.853960713,86.43396286,1.172420313,0.526389029,0.980724431,0.013302887,0.567163763,0.374969226,0.391391205,88.1327722,147.4519728,288.9273952,0.971086646,1.333524194,84.92789847,0.944921258,0.374804822,0.984698407,0.010955911,0.547572242,0.240044146,0.19409268,86.24762455,112.4357235,228.7615012,0.97704761,0.981709068,87.38722467,1.224943661,0.56917045,0.979882404,0.013735426,0.579755307,0.410154086,0.456823954,89.18133878,157.4798547,307.5877181,0.969823607,1.446733347,86.56423616,1.181528033,0.528677891,0.980626262,0.013384713,0.568874787,0.381024814,0.395196161,88.27444208,148.6673173,291.0139147,0.970939393,1.345095761 +UMLPP0004,L,Iso-octyl Alcohol + Oleic Acid,CCCCCCCCC=CCCCCCCCC(=O)OCCCCCC(C)C,UML,"stereochemistry Z +CCCCCCCC\C=C/CCCCCCCC(=O)OCCCCCC(C)C",-29,0,-2.2179,4.91908041,100.156,80.70365,0,0,78,28,50,0,26,0,2,0,0,0,0,0,0,0,4313.606348,4644.185271,5445.140568,5237.413978,5010.429345,4804.52804,4607.771311,4454.894546,4160.255553,12998.40822,16809.42497,22649.6525,24156.09112,22935.73779,21649.18574,20642.3874,19547.52464,18451.38042,558.680048,566.955636,1072.07196,1475.308552,1455.844836,1332.49376,1269.60886,1206.863792,1149.9615,96.02845324,126.6288355,185.3325092,209.2707155,199.0835858,186.0605408,177.039012,167.1466994,156.7925462,12913.43843,11159.22192,23017.63792,33949.39432,33771.24895,30628.03492,29149.07977,27664.61186,26356.45761,178.5555556,161.9166667,280.75,345.8333333,345.5833333,324.3333333,311.75,303.1388889,289.3333333,55.30264549,60.31409443,36.79149032,25.3015168,24.56092816,25.83079591,26.03260628,26.51722944,26.16512926,166.6462592,218.3042203,153.0381926,116.6960924,112.4300872,116.3934717,116.6236576,116.3543133,116.0464177,7.162564718,7.363060208,7.243729459,7.127094454,7.136494294,7.163944946,7.172931412,7.183713048,7.232462264,1.231134016,1.644530331,1.252246684,1.01096964,0.975899931,1.000325488,1.000220407,0.99492083,0.986116642,165.556903,144.92496,155.5245806,164.0067358,165.545338,164.6668544,164.6840665,164.6703087,165.7638843,2.289173789,2.102813853,1.896959459,1.670692432,1.694035948,1.743727599,1.761299435,1.804398148,1.819706499,0.360714815,-0.163859542,0.012148753,-0.021222112,-0.011488006,1.41E-04,-0.005734285,0.038358286,-0.075161599,2316.485068,-20.59530459,-656.4737459,-127.309998,115.8946758,-33.20716433,-34.53692812,8.013272083,-40.38572074,3882.073007,-152.7604238,-1456.648386,-300.9059002,238.7589579,-8.44261236,-8.93638313,-97.49456783,327.4430049,2.390863179,0.06280522,0.811188634,-0.074578951,-0.138495598,-0.200720095,-0.207393728,-0.074235361,-0.550383866,17.29945784,-1.020187644,-6.637698507,-1.596102145,1.031074978,0.003566564,0.003458393,-0.867433454,2.431742522,94.82169438,-6.10766299,-35.81909739,-9.139779075,5.457442071,-0.002422249,-0.002424523,-5.515183456,14.6617857,45.17094017,0.232248521,11.19773176,-2.415187377,-3.872287968,-4.903353057,-5.415680473,-2.391683103,-7.831360947,0.004624549,-0.002128046,8.21E-05,-1.03E-04,-5.63E-05,7.59E-07,-3.24E-05,2.28E-04,-4.73E-04,29.69852651,-0.267471488,-4.435633418,-0.615024145,0.568111156,-0.178533142,-0.195123888,0.047698048,-0.253998244,49.77016676,-1.983901608,-9.842218824,-1.453651692,1.170387049,-0.045390389,-0.05048804,-0.580324809,2.059389968,0.030652092,8.16E-04,0.005481004,-3.60E-04,-6.79E-04,-0.00107914,-0.001171716,-4.42E-04,-0.003461534,0.221787921,-0.01324919,-0.044849314,-0.007710638,0.005054289,1.92E-05,1.95E-05,-0.005163294,0.015293978,1.215662748,-0.079320299,-0.242020928,-0.044153522,0.026752167,-1.30E-05,-1.37E-05,-0.032828473,0.092212489,0.579114618,0.003016215,0.07566035,-0.011667572,-0.018981804,-0.026362113,-0.030597065,-0.014236209,-0.049253842,-0.460162933,0.017750092,-0.022169142,-0.012177135,1.64E-04,-0.007005459,0.049371979,-0.102218502,-0.009006221,-0.149355336,-0.020708911,0.019129271,-0.006011515,-0.006570154,0.001606075,-0.008552554,-0.039861261,-0.197753382,-0.02920729,0.023515835,-9.12E-04,-0.001014424,-0.011660094,0.041378,0.026610001,0.178813383,-0.011754003,-0.022148569,-0.035206089,-0.038226297,-0.014415889,-0.112929771,-0.059738105,-0.202217118,-0.034765817,0.022788838,8.65E-05,8.81E-05,-0.023280323,0.068957669,-0.065248605,-0.199085584,-0.036320536,0.022006241,-1.07E-05,-1.13E-05,-0.027004589,0.075853676,0.005208321,0.130648316,-0.020147258,-0.032777283,-0.045521409,-0.052834213,-0.024582714,-0.085050249,1.573104735,1.023041631,1.026066929,1.084575783,1.158074791,1.20627004,1.208915,1.611437631,1.316868597,1.279416447,1.007643768,0.960446624,1.010121716,1.016012243,1.013851931,1.046165099,1.463099312,1.375816107,1.022889308,0.936600483,0.979224734,0.978559901,0.988221079,0.911423472,0.765244961,0.746777448,0.95270403,1.126049175,1.226808814,1.280558459,1.313260915,1.76529881,1.519743761,1.396578781,1.029047079,0.934784846,0.977080142,0.976145222,0.99818075,0.879915008,1.529305037,1.39557418,1.030155073,0.9364969,0.979390053,0.979026734,1.005271134,0.880222677,0.643235572,0.541976911,0.847514157,1.131549474,1.236471908,1.297738242,1.330055582,1.524017035,490.2326101,245.3663051,387.3793541,490.6968959,17.52488914,245.3663051,0.5,0.092388717,0.003299597,-6.668901172,434.1323357,15.50472627,17.00537834,490.2704465,245.3844889,387.4076196,490.7333683,17.52619173,245.3844889,0.498531158,0.092250457,0.003294659,-6.673094514,435.7604763,15.56287415,17.01585963,523.8151064,261.5085587,413.0226458,523.0741167,18.68121845,261.5085587,-0.797988956,0.023557845,8.41E-04,-10.49522987,299.1164258,10.68272949,15.96233207,490.3101565,245.4035731,387.4372863,490.7716468,17.52755882,245.4035731,0.4969896,0.092105369,0.003289477,-6.677501723,437.5030207,15.62510788,17.02703411,559.4513838,278.6433976,441.3353239,557.4414088,19.90862174,278.6433976,-2.164588529,0.131170406,0.004684657,-5.687522369,339.127529,12.11169746,16.31385344,494.1948085,247.2705384,390.3472448,494.5163434,17.66129798,247.2705384,0.346268372,0.078000561,0.002785734,-7.14290993,633.9694395,22.6417657,18.0656021,511.486634,255.8066435,403.3521704,512.2352571,18.29411632,255.8066435,0.95279304,0.103235288,0.003686975,-6.358084729,393.1888619,14.04245935,16.72801217,0,11.89,15.99592774,-0.315711499,0.26154715,4.351139043,7.804852555,27,77,75,75,25,2,2,0,0,2,57.53435,3.597834476,3.562248209,3.500827527,3.448279266,3.337611389,3.227674434,3.134245714,2.951572246,1.946948643,1.923715309,1.903950496,1.814979297,1.741065165,1.704503136,1.574508151,1.448217832,3.604413437,3.552949871,3.519910823,3.448583651,3.330900122,3.253907551,3.138872712,2.949299369,1.893897859,1.870850081,1.846105264,1.766551833,1.694919337,1.637586772,1.519161394,1.397395975,3.717183473,3.686350402,3.647111496,3.585468391,3.48858662,3.402876544,3.299665526,3.142862608,1.732297286,1.692383349,1.665984909,1.584109592,1.481705068,1.427126724,1.300372572,1.135871395,3.62132843,3.568224957,3.538285166,3.461164388,3.340350143,3.276767324,3.15342096,2.961928462,1.863077378,1.840109944,1.809692814,1.741344605,1.665304167,1.594851451,1.487051658,1.36234644,3.766339881,3.73542339,3.704547322,3.632866016,3.543107326,3.471536258,3.359002728,3.211634575,1.683942599,1.640866331,1.611347007,1.535121713,1.428616216,1.362318163,1.242429987,1.070579011,5.07110772,3.704388837,3.60214922,3.534325118,3.47552188,3.440989743,3.296968596,3.151563707,1.810995311,1.790007614,1.777194289,1.636228902,1.553935011,1.529360616,1.346586241,1.207374573,0,0,1,2,0,4,18,1,0,0,0,0,0,0,0,0,0,0,0,0.696923425,0,0,0,0.467173856,0,0,0,0.696923425,0.637136847,0.552585858,0.372008468,0.292512493,0.227670901,20.71104972,13.66390246,10.229005,6.528874655,4.407395719,2.968561473,1.994482036,1.338447403,0.739680347,0.506070461,0.365321607,0.251110564,0.176295829,0.123690061,0.08671661,0.060838518,19.48357623,12.47036234,8.797941033,5.331564214,3.429675038,2.184510846,1.381382541,0.823817946,0.695842008,0.461865272,0.31421218,0.205060162,0.137187002,0.091021285,0.06006011,0.03744627,40.9752933,75.8572469,71.83529412,72.8,46.92434132,598.7581138,0.525324273,0.972528806,0.920965309,0.933333333,0.601594119,7.676386074,8.70969,123.447,258.6134626,408.4041204,517.2269252,18.47239019,258.6134626,0.080798256,0.002885652,-7.04423973,441.7949493,15.77839105,17.0543684,1022,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,23,3,0,2,0,0,0,0,0,0,0,0,3,0,19,0,2,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.00664594,4.740700619,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.498419847,0,0,6.77472327,1.149423369,0,0.498419847,0,0,0,0,0,0,0,0,6.787945427,0,22.68352449,0,4.739323752,0,0.78118353,0,0,0.001376867,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.68652181,5.320124124,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.320124124,0.001376867,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.248092098,0,0,0.212590712,0.307968893,0,0.248092098,0,0,0,0,0,0,0,0,2.257947442,0,0.60134217,0,2.365650561,0,0.78118353,0,0,0.001376867,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.68652181,5.320124124,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.68652181,2.373673192,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.25032775,0,0,0.559705005,0.51949267,0,0.25032775,0,0,0,0,0,0,0,0,2.272050544,0,1.413073407,0,2.373673192,0,0.78118353,0,0,0.001376867,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.68652181,5.320124124,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,52,1.857142857,0.559705005,11.68652181,-0.041866403,0.001376867,15.52467074,1.6652898,4.686521814,16.06783024,1.6652898,4.686521814,16.06783024,13.66666,0.4881,0,0.0119,0.46325,0.75476,0.43023,0.45917,0.75476,0.03302,0.00408,-0.02893,0,0.64669,0.0676,0,0.13415,0.07317,0,16.75,0.59821,14.25,0.50893,2.5,0.08929,-11.75,-0.41964,0,0,38.05044,1.35894,44.48683,6.43638,0.22987,12.06343,0.43084,13.66389,1.60046,0.05716,0.25011,0.00893,0.25011,0.00893,0,27.02,2,2,2,2,0,0,0.884615385,1.075091422,1.92397486,3.278606957,4.261650455,4.539494405,4.435855264,83.85713091,150.0700391,255.7313427,332.4087355,354.0805636,345.9967106,0.171045764,0.306102107,0.521622458,0.678023507,0.722228148,0.705739284,5.210310797,4.361427359,3.006795262,2.023751763,1.745907814,1.849546955,0.170547084,0.305209673,0.52010168,0.676046745,0.720122508,0.703681718,8.921996436,17.50377619,23.21358395,25.93272128,25.84183316,25.65097073,105.1487929,73.00187473,54.17383256,39.04341326,38.9645451,40.46632259,28,23.28061224,25,28,3,18,4.1,3.8034,0.27849533,6.070390204,1.101567787,0,0,5.534494087,0,0.142857143,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.464,0.45,0.619,0.201,13.05,28,26,25,24,23,22,21,21,18,263,3.401197382,3.496507561,3.465735903,3.465735903,3.465735903,3.465735903,3.465735903,3.465735903,3.526360525,3.433987204,5.826000107,1.285171103,0.48,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22,0.814814815,25,0.925925926,2,13,25,0.923076923,2.5,0.888888889,0.5,0.32,0.222222222,0.163265306,0.09375,0.12345679,0.06,0.049586777,0.092592593,0.031746032,0.019230769,0.0128,0.009259259,0.007098492,0.004261364,0.005878895,0.002857143,0.002754821,0.212724282,258.6134626,408.4041204,517.2269252,18.47239019,258.6134626,0.080798256,0.002885652,-7.04423973,441.7949493,15.77839105,17.0543684,26.3,470.559595,5.807354922,4.709530201,5.38907173,6.098074282,6.787844982,7.499423291,8.193953024,8.906935339,9.604609707,10.31860592,122.5080485,4.007333185,0,5.117993812,0,6.34738921,0,7.631916513,0,8.948326046,9.266248004,394.3810808,5.056167703,54.48145784,1.945766351,5.492792308,5.492792308,0,3476,26,12.078,110,1.308207107,2.206704376,2.909940768,3.65870109,4.891769078,5.881380778,7.226085969,8.355731841,9.705185478,10.80268277,92.59736854,90.91843343,87.63976408,112.8757363,147.9112514,180.9479646,215.969188,245.4087327,304.4757174,301.3748172,316.6028328,361.8103589,374.4213859,478.6591083,628.7685665,767.6570669,909.3638785,1049.089769,1274.008049,1365.07809,9.686081185,16.05901373,20.82194291,26.30981273,35.21407468,42.42915186,52.11209883,60.57772226,69.87699566,77.77538838,2.316324309,2.900534978,3.138756344,3.989752345,5.249766803,6.391523882,7.606932328,8.74357656,10.58828516,11.57285619,187.015736,339.7239954,472.9497395,592.6183279,795.7178297,952.9088677,1177.748851,1369.589163,1570.560469,1752.274437,2.833873528,4.319840616,5.009078513,6.511508826,8.806352277,10.76479692,13.3471522,15.43000451,18.78668913,20.13978999,0.490280213,0.628517191,0.687701742,0.878059943,1.159029266,1.412488105,1.69414002,1.948376325,2.338070131,2.54697002,996.2466452,1813.202649,33.16213327,232.6469624,-423.425354,-26.15377381,763.5996828,2236.628003,59.31590708,0.810685839,1.475475694,0.026985357,0.189314161,-0.344558187,-0.021282374,1224.281134,2228.233144,40.75273359,285.8983649,-520.3447109,-32.14020545,0.143650895,0.173408446,2.127802286,2.977900821,1161.509309,67.38429899,0.945166694,0.054833306,1688.034736,41.0856999,11.9067653,2165.571326,46.53569948,12.93771254,3259.741591,57.09414674,14.82726529,5.973545874,5.973545874,34994.07249,34851.2204,269.4857976,1.004098912,129.8549786,129.3248873,10.48624311,17.09597228,33.03481413,0.932315611,19.36970189,18.03632221,20.27504764,85.80349827,48.5297697,11.15726783,26.46106013,24.04840751,56.68267122,15.94697908,8.728842479,48.50450824,18.29761868,56.34612779,8.682202814,7.71574448,45.24964801,7.162073273,59.51575689,8.563377044,7.367634282,41.60818192,7.584076742,55.97436422,9.965216808,9.579832679,38.28354103,4.871404731,46.1934112,10.79538798,1.65011349,18.03203222,1.991991733,19.29562257,1.277875984,2.062186888,7.551120296,2.499686212,14.47395041,3.748832293,2.970229868,8.486887021,1.140939699,12.31592176,1.668351881,1.277786029,5.27696444,0.521911235,13.39673695,1.23212994,1.818565828,6.178085937,0.532094608,9.543933086,1.193922043,0.848314403,6.862894198,0.386133105,8.29589861,1.708078507,5.250966982,17.53851608,5.035211012,24.48643271,4.989881806,3.463663251,9.671371779,4.146551592,18.97084503,4.925115964,2.897753683,15.29414842,2.847600061,18.26715576,2.333434507,1.929710014,10.07892572,1.349499083,19.47856025,1.985430224,2.617392968,9.374974428,1.481585462,15.68545344,2.112163427,1.863731112,9.729984612,0.928301949,13.0413985,2.64801926,18.29011799,18.28591477,19.14289763,79.36427871,44.36916212,10.43960017,25.54951152,22.58778482,53.46306391,15.40287931,8.651502944,46.68846849,17.6328621,52.97781796,9.072766498,7.37408219,42.38761751,6.805086221,56.94212067,8.23554075,7.237763026,39.06736582,6.98338267,52.65207658,9.402900375,8.774001388,36.5625883,4.464733622,43.63888765,9.938593442,7.728179209,17.36841265,7.270455647,30.50439384,9.124216818,4.560842737,11.65963031,5.98126838,23.21537421,5.955281853,3.234795361,20.20145256,4.293477582,23.26190835,2.747896313,2.549034583,14.31293449,2.014474118,24.43530583,2.63489337,3.181743821,12.73135053,2.277758178,20.80341447,2.931050705,2.788483117,12.59055557,1.411345308,17.08204757,3.559592044,23.39954972,18.33158789,25.65692233,114.7987539,69.42919329,13.99748352,32.7491417,33.35590498,72.78185538,21.1225717,11.34430884,59.61566776,25.52204895,71.0668223,11.82961163,10.13790441,59.55771634,9.631158118,75.25121666,11.54990357,9.281267249,55.63647585,10.02224315,71.93401232,13.51197889,12.87149729,50.78505687,6.527099537,59.58300137,14.42437811,12.18236558,18.55788491,12.27119602,49.29989055,23.02083471,6.505506159,19.43016678,16.87610463,37.93019775,10.69113034,7.642171974,35.57721498,14.91342241,36.32962759,9.15797822,5.061829612,28.16650692,4.741321202,46.78621631,5.300025028,6.866518901,27.84312702,3.937502982,36.23661929,5.637327311,4.712690502,27.97247887,2.451197139,31.84414145,5.98517098,98.17114245,0.96717944,0.532278987,0.98495586,0.009703758,0.585244979,0.574396155,0.507573163,99.67060088,147.7183561,297.9283733,0.977433791,1.667214297,88.3227375,0.526372398,0.160496756,0.992283202,0.005913658,0.473723547,0.169210786,0.046026044,89.00960665,60.75064511,157.2218505,0.988424803,0.688960377,93.5226083,0.676527687,0.309229563,0.98956963,0.007158389,0.531132043,0.281476355,0.171191416,94.50836555,92.3997915,206.4733075,0.984354445,0.983799814,97.41029307,0.958470653,0.5180966,0.985068115,0.009692599,0.576209556,0.563530425,0.480819059,98.88686032,144.3294292,291.5883304,0.977602172,1.62055904,95.56778745,0.753645555,0.378260384,0.988294627,0.007793671,0.554614593,0.34965108,0.256356421,96.69969339,108.4588205,232.4024299,0.982441941,1.160622094,98.60577226,1.00645743,0.560020621,0.984362156,0.010047268,0.590439067,0.621696098,0.561685713,100.1722503,155.0274149,310.7775185,0.976543234,1.773820878,97.61646872,0.964489962,0.520537509,0.985015085,0.009732345,0.578651396,0.570359398,0.485041473,99.10149619,145.4651909,293.5753478,0.977522628,1.634052267 +UMLPP0005,L,Decyl Alcohol + Oleic Acid,CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCCCCC,UML,"stereochemistry Z +CCCCCCCC\C=C/CCCCCCCC(=O)OCCCCCCCCCC",-3,0,-4.4351,19.67011201,101.8931,86.890822,0,0,84,30,54,0,28,0,2,0,0,0,0,0,0,0,4606.198846,4981.141865,5711.491633,5564.381292,5394.798227,5198.041498,5001.284769,4804.52804,4607.771311,13969.777,18115.40524,24251.61931,25667.77058,24669.58078,23662.78243,22655.98409,21649.18574,20642.3874,600.634936,610.507196,1157.50726,1598.683344,1521.14846,1458.26356,1395.37866,1332.49376,1269.60886,103.3847049,136.6608127,199.7014652,223.3001848,213.1251274,204.1035986,195.0820697,186.0605408,177.039012,13906.69775,12025.30082,24860.57541,37098.07525,35064.90039,33585.94523,32106.99008,30628.03492,29149.07977,185.7777778,171.25,298.0833333,363.1666667,359.9166667,347.6666667,335.4166667,323.1666667,311.25,54.83570055,60.01375741,35.69682271,24.73058352,25.32769121,25.48059558,25.6476142,25.83079591,26.03260628,166.3068691,218.2578944,151.5726207,114.0789804,115.8196281,115.9940315,116.1845338,116.3934717,116.6236576,7.150415905,7.355508386,7.234420375,7.105259307,7.141542066,7.148350784,7.155788,7.163944946,7.172931412,1.230770296,1.646515816,1.248134158,0.992445266,1.000587453,1.000507836,1.00042087,1.000325488,1.000220407,165.5559256,144.8831424,155.3785963,164.8803345,164.6239455,164.6369864,164.6512312,164.6668544,164.6840665,2.211640212,2.063253012,1.863020833,1.614074074,1.689749609,1.704248366,1.72008547,1.737455197,1.758474576,0.369896981,-0.16274758,-3.22E-04,-0.009575818,-0.016659522,0.001816106,0.002610905,0.001705137,-0.020891518,2478.7296,-20.86825483,-859.7731075,141.1858476,-29.21824934,-30.36483139,-31.51141343,-32.65799548,-33.80457753,4182.548559,-153.1857716,-1833.768413,170.2468111,-7.239150081,-7.664901408,-8.090652736,-8.516404063,-8.94215539,2.42661581,0.064274093,0.775780553,0.007836701,-0.178267898,-0.184022204,-0.18977651,-0.195530816,-0.201285122,18.64142385,-1.020732167,-8.317360077,0.436799136,0.003443344,0.003350074,0.003256804,0.003163534,0.003070264,102.1109127,-6.107466336,-44.92980451,1.787332994,-0.002246465,-0.002248426,-0.002250388,-0.002252349,-0.00225431,45.2010582,0.970647518,10.00988914,-0.256802721,-4.184429327,-4.329554044,-4.47467876,-4.619803477,-4.43159486,0.004403535,-0.001960814,-2.02E-06,-4.26E-05,-7.82E-05,8.90E-06,1.34E-05,9.17E-06,-1.18E-04,29.50868572,-0.251424757,-5.373581922,0.627492656,-0.13717488,-0.148847213,-0.161596992,-0.175580621,-0.190986314,49.79224475,-1.845611706,-11.46105258,0.756652494,-0.03398662,-0.037573046,-0.041490527,-0.045787119,-0.050520652,0.028888283,7.74E-04,0.004848628,3.48E-05,-8.37E-04,-9.02E-04,-9.73E-04,-0.001051241,-0.001137204,0.221921713,-0.012297978,-0.0519835,0.001941329,1.62E-05,1.64E-05,1.67E-05,1.70E-05,1.73E-05,1.215606104,-0.073583932,-0.280811278,0.007943702,-1.05E-05,-1.10E-05,-1.15E-05,-1.21E-05,-1.27E-05,0.538107836,0.011694548,0.062561807,-0.001141345,-0.019645208,-0.021223304,-0.022947071,-0.024837653,-0.025037259,-0.445281801,-4.58E-04,-0.009664777,-0.017761573,0.002021667,0.00304057,0.002081828,-0.02680373,-0.008520364,-0.182101703,0.021264677,-0.004648627,-0.005044183,-0.005476252,-0.005950134,-0.006472207,-0.037066248,-0.230177463,0.015196192,-6.83E-04,-7.55E-04,-8.33E-04,-9.20E-04,-0.001014629,0.026806254,0.167840656,0.001205672,-0.028971555,-0.031226142,-0.033688844,-0.036389872,-0.039365582,-0.055415839,-0.234242517,0.008747812,7.28E-05,7.40E-05,7.53E-05,7.66E-05,7.82E-05,-0.06053271,-0.231005156,0.006534767,-8.68E-06,-9.07E-06,-9.49E-06,-9.96E-06,-1.05E-05,0.021732723,0.116262583,-0.002121035,-0.036507939,-0.039440615,-0.042644,-0.04615739,-0.04652833,1.568287645,1.04735463,0.997653246,1.120132638,1.137551509,1.174564824,1.217943379,1.295077564,1.32835726,1.318862594,0.951878968,1.002770262,1.00726618,1.012177105,1.017563281,1.023497204,1.465640647,1.412855307,0.961369074,0.981356714,0.980852751,0.980302268,0.979698512,0.979033358,0.773516761,0.758974234,0.934470676,1.160611872,1.203862568,1.251105637,1.302920615,1.360004913,1.518317051,1.432287114,0.966946041,0.979728391,0.979019806,0.978245814,0.977396919,0.976461696,1.527213067,1.43103052,0.968415968,0.981250878,0.980975336,0.98067436,0.980344258,0.979980585,0.623141753,0.559160643,0.817466932,1.16956144,1.21665915,1.268104341,1.324528099,1.383231787,570.5887832,285.5443916,448.6267941,571.0554499,19.03518166,285.5443916,0.5,0.045001971,0.001500066,-9.303146973,481.4560247,16.04853416,18.53044469,570.6311408,285.564836,448.6606293,571.0964366,19.03654789,285.564836,0.498531158,0.044887086,0.001496236,-9.310815414,483.2672635,16.10890878,18.54170952,608.1407999,303.6714055,479.1364241,607.3960102,20.24653367,303.6714055,-0.797988956,0.048841165,0.001628039,-9.057545329,346.2252724,11.54084241,17.54126892,570.6755957,285.5862927,448.6961413,571.1394527,19.03798176,285.5862927,0.4969896,0.044766536,0.001492218,-9.318883176,485.2070808,16.17356936,18.55372731,647.9115345,322.873473,512.4200068,645.8912519,21.5297084,322.873473,-2.164588529,0.132049963,0.004401665,-6.073724771,368.8228135,12.29409378,17.73094905,575.0237851,287.6850268,452.1769811,575.346969,19.1782323,287.6850268,0.346268372,0.033086584,0.001102886,-10.22588218,665.8396674,22.19465558,19.50314671,583.4493316,291.8050289,457.4168474,584.2783565,19.47594522,291.8050289,1.036281179,0.041535213,0.001384507,-9.543641105,374.4121904,12.48040635,17.77607191,0,11.89,15.99592876,-0.315717601,0.261554584,4.350524041,7.80484041,29,83,81,81,27,2,2,0,0,2,61.907178,3.597302614,3.561316401,3.502893015,3.451428649,3.360338396,3.288418702,3.160609275,3.060524036,1.946973407,1.930600644,1.904499863,1.819923378,1.802161832,1.713275905,1.621075787,1.569276501,3.604381493,3.551813229,3.52138406,3.452077295,3.380219539,3.290317344,3.167116097,3.088596653,1.893943954,1.87501464,1.847914919,1.775068073,1.739165425,1.658272648,1.565319121,1.501935788,3.717003843,3.686131995,3.650685392,3.591689815,3.521643716,3.444990597,3.334345467,3.252219063,1.732283526,1.695285753,1.667022831,1.5877962,1.54181609,1.447858497,1.334198337,1.276632495,3.621311793,3.56823019,3.539273845,3.463975382,3.399954382,3.304584982,3.18059447,3.113457235,1.863079322,1.842054976,1.813029875,1.750718482,1.699102561,1.625590396,1.530348511,1.458362921,3.766287672,3.737004926,3.70707584,3.639563606,3.584894235,3.502663795,3.397289516,3.325736365,1.683915604,1.641996616,1.612823686,1.539239925,1.481799117,1.390665126,1.274725758,1.207066715,5.11547,3.716680591,3.594191013,3.545062165,3.499551354,3.467523204,3.316831863,3.290174764,1.801060404,1.796834818,1.767632927,1.641346231,1.622363598,1.529578215,1.40199003,1.33374299,0,0,1,2,0,3,22,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.40824829,0.433012702,0.40824829,0.083333333,0.088388348,0.083333333,21.96212658,14.80806041,10.46069658,7.100953631,4.811916642,3.254600961,2.196742498,1.479362553,0.732070886,0.510622773,0.360713675,0.253605487,0.178219135,0.12517696,0.0878697,0.061640106,20.73465309,13.61452029,9.029632611,5.90364319,3.834195961,2.470550334,1.576787809,0.994639537,0.691155103,0.469466217,0.311366642,0.2108444,0.142007258,0.095021167,0.063071512,0.041443314,44.05894891,81.63292061,77.28627451,78.32,50.5214503,644.814624,0.524511297,0.971820483,0.920074697,0.932380952,0.601445837,7.676364571,9.63399,132.751,299.7858748,471.6121928,599.5717497,19.98572499,299.7858748,0.046111909,0.001537064,-9.230052088,591.4538381,19.71512794,19.14775091,1211,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,25,3,0,2,0,0,0,0,0,0,0,0,2,0,23,0,2,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.11088481,4.756722644,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.496082964,0,0,7.209168686,1.149423369,0,0.496082964,0,0,0,0,0,0,0,0,4.529116203,0,28.26994301,0,4.746932616,0,0,0,0,0.009790028,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.75269899,5.358185816,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.358185816,0.009790028,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.246979288,0,0,0.212590712,0.307968893,0,0.246979288,0,0,0,0,0,0,0,0,2.255269054,0,0.606325977,0,2.369657874,0,0,0,0,0.009790028,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.75269899,5.358185816,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.75269899,2.377274742,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.249103676,0,0,0.559705005,0.51949267,0,0.249103676,0,0,0,0,0,0,0,0,2.273847148,0,1.413879769,0,2.377274742,0,0,0,0,0.009790028,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.75269899,5.358185816,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,54.66666667,1.822222222,0.559705005,11.75269899,-0.056851544,0.009790028,16.91045147,1.656876638,4.75269899,15.77386725,1.656876638,4.75269899,15.77386725,14.66666,0.48889,0,0.01111,0.46111,0.75111,0.43043,0.45736,0.75111,0.03068,0.00375,-0.02693,0,0.65089,0.0634,0,0.09091,0.03409,0,17.75,0.59167,15.25,0.50833,2.5,0.08333,-12.75,-0.425,0,0,41.27564,1.37585,47.84489,6.56926,0.21898,13.20759,0.44025,14.80805,1.60046,0.05335,0.10595,0.00353,0.10595,0.00353,0,29.02,2,2,2,2,0,0,0.892857143,1.066485721,1.774598666,2.876824573,3.77758701,4.326343615,4.500002502,89.58480058,149.0662879,241.6532642,317.3173089,363.4128636,378.0002102,0.166838668,0.27761429,0.450044074,0.590957357,0.676803627,0.703970439,5.325831702,4.617718757,3.515492849,2.614730412,2.065973808,1.892314921,0.166394238,0.276874774,0.448845234,0.589383149,0.675000738,0.702095183,8.80639615,15.78392697,20.63799374,23.96071117,25.93968205,25.31100048,112.9400406,86.12581448,68.24146965,50.98428,41.76495081,43.79639746,30,27.03448276,27,30,3,18,4.32,4.0852,0.035714286,4.656214457,0.146254485,0,0,4.006126914,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.446,0.43,0.658,0.216,14.276,29,28,27,26,25,24,23,22,21,284,3.465735903,3.526360525,3.526360525,3.526360525,3.526360525,3.526360525,3.526360525,3.526360525,3.526360525,3.555348061,5.886104031,1.264084507,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,25,0.862068966,27,0.931034483,2,14,28,1,1.5,0.666666667,0.375,0.24,0.166666667,0.12244898,0.09375,0.074074074,0.06,0.049586777,0.051724138,0.022988506,0.013392857,0.008888889,0.006410256,0.004897959,0.00390625,0.003220612,0.002727273,0.002361275,0.135809193,299.7858748,471.6121928,599.5717497,19.98572499,299.7858748,0.046111909,0.001537064,-9.230052088,591.4538381,19.71512794,19.14775091,26.3,505.1515642,5.906890596,4.762173935,5.442417711,6.137727054,6.827629235,7.527793988,8.222285074,8.925454387,9.622913492,10.32839575,126.7967906,4.077537444,0,5.164785974,0,6.37502482,0,7.643482907,0,8.946244609,9.269834944,422.412381,5.028718821,58.64825946,1.954941982,5.496732706,5.496732706,0,4308,28,13.277,116,1.235620249,2.142616719,2.885455397,3.659974792,4.994287899,6.020600008,7.338385422,8.450267429,9.749885713,10.89790642,86.32218807,85.57000997,86.19639138,118.2706298,149.8062673,182.0266672,214.9544905,248.5290205,282.8671516,315.6104955,297.2065411,348.323336,365.1291803,500.308187,640.4348835,780.1917614,924.1522772,1067.601617,1213.668432,1358.360827,9.136675616,15.56928326,20.57507298,26.35788605,35.86129907,43.31399828,52.76449014,60.85130481,70.24249864,78.29529947,2.180701779,2.812033277,3.064499581,4.142998793,5.362118863,6.525661609,7.763401127,8.959720373,10.19884309,11.44936938,176.7371841,329.335012,471.6165949,587.3276633,812.3076356,975.7467404,1196.390642,1376.071922,1592.917234,1776.52277,2.635171673,4.124598021,4.788112762,6.508296045,8.763895415,10.70122955,13.04924403,15.22139466,17.83864418,19.51742223,0.461010686,0.608017542,0.670286548,0.907515046,1.18010743,1.437822196,1.716111841,1.984094733,2.265079264,2.535967445,1004.156357,1939.469791,29.9842365,164.2404513,-317.2209103,-20.14295597,839.915906,2256.690701,50.12719247,0.859430931,1.65994102,0.025662717,0.140569069,-0.271501007,-0.017239825,1173.253083,2266.070314,35.03348624,191.8980192,-370.6398993,-23.53496547,0.13536492,0.163406016,0.715183426,2.066206308,1118.629449,49.76736003,0.95740543,0.04259457,1963.004668,44.30580852,12.52104119,2502.192851,50.0219237,13.57605513,3569.858497,59.74829284,15.28329516,6.530420847,6.530420847,44693.30912,44562.63441,209.4541481,1.002932383,213.3799188,212.7560366,10.5431075,18.34110092,36.55732054,0.993191178,21.38446859,24.84409922,10.81147157,115.4392738,57.74102532,1.672337079,25.69027899,14.54842965,89.94372947,1.066931363,3.475175455,73.80702636,4.288506164,100.8585638,0.018976574,5.826438198,54.89299061,0.330641379,92.61249736,3.65E-04,5.092715606,38.22984378,0.584964855,84.22251571,1.90E-05,6.655631255,20.22859593,2.502263391,64.79543497,0.008811,1.801906134,25.10386474,0.926283422,26.70659531,0.469057834,0.239829305,4.431279563,0.249569843,25.6356168,0.007528884,0.671472764,7.768535275,0.080612187,23.39912453,1.35E-04,1.237038549,3.732108829,0.024533866,18.66636618,2.97E-06,1.992680332,1.189210898,0.047170889,12.94743457,1.41E-06,3.541423134,0.515193662,0.169521324,8.001497427,5.94E-04,5.795934727,24.58173613,2.816746924,31.9565995,4.32104964,0.523167754,8.392918068,1.254166834,32.36184435,0.078343342,0.978183326,18.51121372,0.402741489,32.73131001,0.001395171,1.631825302,9.323044676,0.081138022,27.2743923,2.78E-05,2.277136143,4.555811472,0.153271995,21.37406309,3.59E-06,3.875748604,2.050973924,0.538372518,15.27016908,0.002014328,20.18743982,25.1221949,10.53309554,106.7200346,51.62054017,1.587528924,25.364601,13.39559547,86.98883466,0.950626501,3.222824569,70.1673859,3.937077795,98.04103276,0.016908429,5.373325014,50.99611236,0.309879643,89.36123778,3.25E-04,4.852407441,35.30965563,0.550742751,80.67854518,2.00E-05,6.487307032,18.90222272,2.399646638,60.44154383,0.008216981,8.538808259,24.38465771,4.058131231,39.30924612,9.253022871,0.720676859,10.9635515,2.411953635,38.43240524,0.17013707,1.268269884,26.60731427,0.758898759,40.4609302,0.003028201,2.06474328,14.52296695,0.121725944,34.68362431,5.94E-05,2.570708351,7.913949281,0.227197909,28.54932813,4.86E-06,4.190474096,3.654380993,0.803625489,21.44579904,0.003065456,25.82485064,25.03182592,13.36544286,156.6317756,84.17646619,2.004637854,31.33810664,21.1625267,114.3925777,1.555972718,4.548031306,92.50426791,6.185763227,128.1988246,0.027672506,7.769076734,74.20962545,0.410102671,118.9470402,5.31E-04,6.342363219,53.95453714,0.713152912,109.9423585,2.60E-05,7.765386332,29.13488124,3.234804227,84.89342955,0.011113712,13.5971242,24.85494071,7.763678616,67.62362458,24.34985464,1.058782785,20.38115319,8.682734724,71.87982715,0.428846964,1.939450163,51.23217678,2.449441289,83.17197083,0.007629293,3.151809061,34.03761148,0.191088079,73.15478013,1.48E-04,3.50435982,22.82426816,0.445119035,61.66912565,1.64E-05,5.638168949,13.76648647,1.950783177,38.75051588,0.004932644,117.5235524,0.854181926,0.465284332,0.988897402,0.007187481,0.570792562,0.687030545,0.595198314,118.8430187,155.4657994,321.0170811,0.983346103,1.853021421,105.4369859,0.404370054,0.093193787,0.995303101,0.003817169,0.459429003,0.15385416,0.023878045,105.9345497,52.49931643,162.4072354,0.992954652,0.637161207,112.2933537,0.557411904,0.240322744,0.992946087,0.004928876,0.521119462,0.292559453,0.158786869,113.0910883,89.71425771,217.8480243,0.989419131,0.972465784,116.4563814,0.845628192,0.451925497,0.988980804,0.007181316,0.560473949,0.673335854,0.56151133,117.7539351,151.4905683,313.7495837,0.983471206,1.795321133,114.8747007,0.636027526,0.308884749,0.991841518,0.005491536,0.545352482,0.380914342,0.262311764,115.819613,108.7429741,247.1307792,0.987762276,1.188578588,117.9460822,0.894290073,0.493554993,0.988370071,0.007494014,0.574904279,0.753064677,0.669724113,119.3339272,164.1322695,335.5253955,0.982555107,1.997693069,116.6968203,0.851170057,0.454207916,0.988937681,0.007213171,0.562790973,0.682179707,0.567197402,118.0021983,152.720067,315.8382104,0.983406521,1.812168081 +UMLPP0006,L,Glycerol mono oleate Alcohol + Oleic Acid,CCCCCCCCC=CCCCCCCCC(=O)CCC(O)COC(=O)CCCCCCCC=CCCCCCCCC,UML,,0,0,-5.313,28.227969,153.1686,122.950682,0,0,118,44,74,0,40,0,4,0,0,0,0,0,0,0,6869.62558,7342.800959,8707.748977,8767.772184,8514.235187,8760.886588,8230.877613,7921.977224,7948.934512,20106.43627,26065.0764,35350.15177,38085.36171,37068.37237,36199.02404,35208.15797,34142.86781,33188.43298,852.19384,865.767332,1628.935516,2292.297912,2224.083788,2147.664112,2092.1451,2046.51248,1978.03696,147.030171,194.4984026,286.0455245,324.1652886,314.2377302,304.9423137,296.7062599,288.6411457,279.1932849,19497.48564,16948.03243,34631.78585,52386.93275,50755.07544,48874.22402,47364.3191,46655.98355,44992.11113,321.3333333,256.5,442.0833333,588.4444444,568.9166667,613.3333333,572.1111111,531.8333333,553.5833333,58.21716593,62.75898256,38.87387936,27.48517926,27.55415918,29.39894828,28.48054537,27.894286,29.0107099,170.3935277,222.7784308,157.8131775,119.3898486,119.9623701,121.473235,121.8275362,120.2213655,121.1256678,7.221981695,7.399720786,7.272033554,7.185886871,7.197682162,7.20692655,7.239256401,7.206029859,7.219112993,1.246018398,1.66237951,1.276988949,1.016192127,1.016950583,1.023296355,1.026665259,1.016342062,1.018953595,165.2329291,144.8549781,154.6061868,164.2223597,164.2559076,164.0074632,163.8903775,164.2816322,164.2047851,2.723163842,2.192307692,1.97358631,1.844653431,1.841154261,2.058165548,1.979623222,1.872652582,2.020377129,0.735629715,-0.305756747,-0.057777755,0.098270028,-0.262662609,0.239226739,-0.028713248,-0.112671462,0.049734694,3622.204692,-35.687549,-1139.160895,90.49998,-7.073437,420.43906,-209.390803,36.966432,240.808348,5903.299328,-117.0461507,-2508.42343,25.24318028,80.01344034,155.6076908,-295.1355809,102.3733854,155.3053398,4.541995119,-0.02467455,0.78046086,0.6406094,-0.423789726,1.884192666,0.285966735,-0.364845201,0.742984352,26.31334643,-0.706158042,-11.81259315,0.074210085,0.370997186,-0.130117931,-0.770542684,0.306572687,0.205121844,144.6746861,-4.169215028,-64.73754929,0.639606851,1.831978902,-1.290126898,-3.051138619,1.214859802,0.586680685,102.5725047,-0.877445817,9.092589933,0.25643972,-11.94033483,48.8460851,-6.79198187,-8.683919053,25.38955121,0.00623415,-0.002613306,-2.58E-04,3.08E-04,-8.50E-04,8.03E-04,-9.94E-05,-3.97E-04,1.82E-04,30.69664993,-0.305021786,-5.08553971,0.283698997,-0.022891382,1.410869329,-0.724535651,0.130163493,0.878862584,50.02796041,-1.00039445,-11.19831888,0.079132227,0.258943173,0.522173459,-1.021230384,0.360469667,0.56680781,0.038491484,-2.11E-04,0.0034842,0.00200818,-0.001371488,0.006322794,9.90E-04,-0.001284666,0.002711622,0.222994461,-0.006035539,-0.052734791,2.33E-04,0.001200638,-4.37E-04,-0.002666238,0.001079481,7.49E-04,1.226056662,-0.035634316,-0.289006916,0.002005037,0.005928734,-0.004329285,-0.010557573,0.004277675,0.00214117,0.869258514,-0.007499537,0.040591919,8.04E-04,-0.03864186,0.163913037,-0.023501667,-0.03057718,0.092662596,-0.419191946,-0.04137475,0.049414356,-0.136352315,0.128770446,-0.015937024,-0.063638265,0.029115995,-0.009936647,-0.165670838,0.009242018,-7.46E-04,0.045961671,-0.023603085,0.004240316,0.02863057,-0.019996707,-0.223841204,0.00158176,0.005175969,0.010437632,-0.020413192,0.007205364,0.01132982,-0.005478967,0.09051873,0.052172058,-0.035630941,0.164264755,0.025707096,-0.033375336,0.070447315,-0.027065869,-0.236484756,0.001043225,0.005384161,-0.001958064,-0.01195652,0.004840844,0.003357123,-0.029064168,-0.235720685,0.001635354,0.004835612,-0.003531064,-0.008610999,0.00348897,0.001746388,-0.00862751,0.046697178,9.25E-04,-0.044453819,0.188566502,-0.027036453,-0.035176164,0.106599584,1.424071412,0.9458831,0.951387463,1.178593398,0.922124233,1.160015476,1.169466711,1.140914699,1.26194821,1.269946187,0.981008365,0.999112962,0.955411848,1.046097617,0.998551193,0.979958152,1.413615581,1.406125978,0.985322291,0.980347496,0.980200807,1.011274042,0.977323979,0.974388107,0.768542438,0.715939001,0.95427143,1.107610327,0.901688521,1.192497504,1.142130816,1.073323016,1.46796938,1.441330374,0.985311822,0.979436373,0.992383091,1.00285128,0.978847954,0.981611602,1.475309702,1.441987391,0.984841461,0.981065005,0.995022085,1.00293618,0.981804912,0.98536489,0.674048948,0.609934409,0.970908903,1.090104266,0.884944493,1.328573256,1.113099615,1.008135022,1170.209491,585.6047457,913.173421,1171.164037,26.61736447,585.6047457,1,0.014481247,3.29E-04,-18.6335634,851.6195873,19.35499062,29.68741571,1170.278497,585.6377798,913.230817,1171.230239,26.61886906,585.6377798,0.997062316,0.014437089,3.28E-04,-18.64700087,852.4826729,19.3746062,29.69187269,1231.383747,614.8938845,964.4317607,1229.860313,27.95137076,614.8938845,-1.595977912,0.020996593,4.77E-04,-16.99893837,739.1981179,16.79995723,29.06449029,1170.35092,585.6724495,913.291056,1171.299718,26.62044814,585.6724495,0.993979201,0.014390756,3.27E-04,-18.66114462,853.3941165,19.39532083,29.6965745,1296.179584,645.9252036,1019.443053,1292.047188,29.36470882,645.9252036,-4.329177057,0.051799639,0.001177265,-13.02563727,676.2997911,15.3704498,28.67320041,1177.434579,589.063558,919.1884425,1178.095637,26.77490084,589.063558,0.692536744,0.009912374,2.25E-04,-20.30147403,981.589029,22.30884157,30.31235995,1206.987011,603.9150553,943.288095,1208.93546,27.47580591,603.9150553,2.381438492,0.033496594,7.61E-04,-14.94377073,662.5356581,15.05762859,28.58272727,0,11.89,15.99795509,-0.390534129,0.261355597,4.383062511,7.833559604,43,117,113,113,39,4,4,0,0,4,84.729318,3.633906659,3.588152137,3.570958619,3.540853407,3.467945824,3.448841446,3.378166179,3.3200084,1.949024142,1.946738509,1.913552669,1.904754023,1.84731046,1.814538996,1.782758141,1.715688445,3.612578929,3.604020689,3.573792246,3.525966785,3.48813234,3.449483066,3.392500188,3.308219427,1.898882704,1.892840452,1.867487769,1.849249323,1.810760071,1.764952063,1.730601977,1.666403657,3.735786639,3.713940126,3.696414285,3.660444294,3.619065616,3.58511393,3.527259698,3.46542034,1.736730874,1.732008328,1.693555103,1.668219588,1.629349823,1.584049442,1.539989566,1.456227321,3.626559168,3.621117368,3.581007784,3.541378575,3.505074456,3.461693657,3.409268742,3.316944511,1.8742236,1.859685759,1.841735816,1.816764261,1.782284893,1.738572183,1.695658961,1.638692234,3.775900655,3.764989293,3.741860147,3.71072589,3.674764859,3.632125791,3.584777286,3.517009998,1.690350989,1.683521058,1.650509599,1.61530295,1.578885804,1.535363246,1.485864503,1.40362198,5.111339375,5.096638671,4.450476586,3.715491557,3.715481613,3.544042269,3.543813015,3.477454182,1.804380053,1.801257797,1.77554891,1.768790579,1.676832424,1.626318144,1.605249921,1.532346676,0,0,1,5,0,3,31,0,0,0,0,0,0,0,0,0,0,0,0,0.866025404,0,0,0,0.290087083,0,0,0,1.224744871,1.193092357,1.546319478,0.371662621,0.335974226,0.353742641,32.18789493,21.59575411,15.94706089,10.90548408,7.299323136,5.309338815,3.389903046,2.284418037,0.731543067,0.50222684,0.354379131,0.247851911,0.169751701,0.120666791,0.082680562,0.057110451,29.47902003,19.2502766,13.08276387,8.553227292,5.530227176,3.643102402,2.319348862,1.481046117,0.669977728,0.447680851,0.290728086,0.194391529,0.128609934,0.082797782,0.056569484,0.037026153,62.90682516,115.1726147,109.2392157,110.72,71.46747425,904.891606,0.533108688,0.976039108,0.925756065,0.938305085,0.605656561,7.668572932,12.16718,189.5708,614.2044658,956.7727701,1228.408932,27.91838481,614.2044658,8.60E-16,1.96E-17,-152.632074,3000420.924,68191.38464,65.62275784,2535,1,0,4,6,0,1,0,2,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,4,0,0,34,7,0,4,0,0,0,0,0,0,0,0,2,0,31,0,4,0,1,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.350904623,0,39.47624579,9.356183878,0,1.8357646,0,8.467525327,0,0,0,0,0,0.350904623,0,0,0,0,0,0,0,0,0,0,1.005036936,0,0,11.34396849,2.889292777,0,1.005036936,0,0,0,0,0,0,0,0,4.525601154,0,34.05296418,0,9.381555537,0,-0.744328339,0,0,-0.025371659,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.11416486,24.13056079,5.23152014,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.350904623,0,5.23152014,-0.234908052,0,1.8357646,0,4.20193458,0,0,0,0,0,0.350904623,0,0,0,0,0,0,0,0,0,0,0.248092919,0,0,0.21668484,0.314868043,0,0.248092919,0,0,0,0,0,0,0,0,2.261920853,0,0.004556592,0,2.334825145,0,-0.744328339,0,0,-0.234908052,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.11416486,11.97457745,5.23152014,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.350904623,0,12.15598334,2.354874683,0,1.8357646,0,4.265590747,0,0,0,0,0,0.350904623,0,0,0,0,0,0,0,0,0,0,0.25496452,0,0,0.718293138,0.568450411,0,0.25496452,0,0,0,0,0,0,0,0,2.263680301,0,1.392243031,0,2.354874683,0,0,0,0,0.209536392,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.11416486,12.15598334,5.23152014,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,86.66666667,1.96969697,0.718293138,12.15598334,-0.086773536,-0.744328339,20.68266184,2.077661673,5.155983344,35.76680497,2.077661673,5.155983344,35.76680497,21.33332,0.48485,0,0.01515,0.47514,0.7697,0.43134,0.4694,0.75926,0.0438,0.00574,-0.03806,0.01044,0.62992,0.08437,0,0.09375,0.07031,0,27.75,0.63068,22.75,0.51705,5,0.11364,-17.75,-0.40341,0,0,65.84397,1.49645,80.88087,15.0369,0.34175,18.49553,0.42035,21.59573,3.1002,0.07046,0.31827,0.00723,0.31827,0.00723,0,43.04,4,4,4,4,1,1,0.85,1.116739042,2.092968499,3.24696739,4.202164047,4.740540033,4.892704542,131.775207,246.9702829,383.142152,495.8553575,559.3837239,577.3391359,0.162254389,0.304093716,0.471761701,0.610545108,0.688767382,0.710875823,5.765904007,4.789674551,3.63567566,2.680479002,2.142103017,1.989938508,0.161404989,0.302501788,0.469292032,0.60734891,0.685161691,0.707154394,9.421515776,18.54372138,23.46152275,26.93486944,28.74914896,28.90250416,163.5104117,114.6602467,88.83061999,64.05322703,52.02268217,52.27459883,44,37.45777778,37.35743802,44,3,22,5.42,5.8074,0.025,4.680706908,0.302284352,0,0,12.12237295,0,0.793700526,0,0,0.512992784,0.908560296,0,0,0,0,0,0,0,0.259,1.12,1.124,1.445,0.67,21.374,45,44,43,44,41,40,40,38,37,459,3.871201011,3.988984047,4.007333185,4.025351691,4.110873864,4.060443011,4.077537444,4.158883083,4.110873864,4.158883083,6.421622268,1.337690632,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,36,0.837209302,39,0.906976744,2,20,40,1,3.5,1.555555556,0.625,0.72,0.388888889,0.244897959,0.25,0.172839506,0.14,0.115702479,0.081395349,0.034567901,0.014204545,0.016744186,0.008838384,0.005973121,0.00625,0.004320988,0.003684211,0.003127094,0.201356432,614.2044658,956.7727701,1228.408932,27.91838481,614.2044658,8.60E-16,1.96E-17,-152.632074,3000420.924,68191.38464,65.62275784,63.6,725.0109157,6.459431619,5.176149733,5.872117789,6.588926478,7.296413269,8.016647877,8.730851904,9.453992184,10.17317112,10.89912537,159.2073957,4.465908119,0,5.587248658,0,6.831953566,0,8.134760782,0,9.473242953,9.783520884,618.5587108,5.242022973,86.28842251,1.961100512,10.51429644,10.51429644,0,12899,44,16.276,176,1.23948055,2.153486649,2.89788942,3.660135449,4.994168175,6.02307062,7.320854653,8.43643351,9.740233962,10.88853929,90.09783671,93.42605431,94.53329343,127.5914368,169.8061172,200.2462605,230.5523825,273.7611347,306.6650612,341.7981448,303.9988702,364.0751779,382.4633424,517.710599,669.9302135,816.4196746,953.3175721,1107.44458,1264.405317,1414.068872,9.21579238,15.73380967,20.90112918,26.5312129,36.14294107,43.75686046,52.92791443,61.10406296,70.74195523,78.84338618,2.209243945,2.888458708,3.148528609,4.21727334,5.490481509,6.703612799,7.88558089,9.130292162,10.43144072,11.70486107,177.1709126,329.4366705,471.8600014,585.681658,808.8804657,971.1288621,1190.1261,1369.054189,1585.051233,1768.230478,2.7999721,4.401595091,5.48392671,7.028784451,10.48969334,12.15772132,13.98876009,17.22628223,19.47242522,21.151319,0.468937766,0.628251332,0.695252497,0.9296684,1.218416385,1.487946617,1.752098282,2.033832896,2.332018394,2.609153712,1302.847075,3982.242444,44.19076118,235.4584506,-719.6950845,-38.44631296,1067.388624,4701.937529,82.63707414,0.846936485,2.588720107,0.028726908,0.153063515,-0.467849249,-0.024992638,2004.176855,6125.905557,67.9788921,362.2070356,-1107.110925,-59.14217567,0.085450469,0.127727476,0.467590552,2.979139931,1422.359052,115.9464737,0.924627149,0.075372851,2954.036125,54.3510453,14.34845921,3699.935855,60.82709803,15.46671436,5667.965533,75.28589199,17.82963285,8.115257441,8.115257441,124603.4471,124084.7681,668.1332499,1.004180038,186.4949052,185.7185945,14.8746939,25.88401793,51.24010135,0.979603842,29.88560279,36.1641588,17.1043293,156.2944218,78.14185048,3.142331185,36.44148811,24.35537672,132.415512,5.726246707,3.868197302,109.2292975,10.02463303,151.1830278,2.713632155,5.512513546,85.75529302,0.705587214,145.8416417,1.451256723,2.633764216,72.59802837,1.078160721,140.1935279,1.197290922,8.029619652,48.86437854,2.829352693,112.7575069,0.206667971,2.547008027,36.62971097,1.475496671,40.94599258,1.719129245,0.267217915,6.686344724,0.300581851,40.66957366,0.23950652,0.542999095,14.07221526,0.241311473,37.05001495,0.165955078,0.940427313,7.061295493,0.039088303,30.16333331,0.071078344,1.518603905,3.529091877,0.085344965,23.80240632,0.029093245,3.272796744,2.561208361,0.131431301,19.47786738,0.005798845,8.02917965,35.71701638,4.442739418,47.10797775,6.41334308,0.653043881,12.29986675,1.978638203,49.97043415,0.718312815,0.877146531,28.49489184,0.964434745,51.58780768,0.386080327,1.31433801,15.64134414,0.129969782,45.21110385,0.17669918,1.613000867,9.689811533,0.276836566,39.20265867,0.110842445,3.692333912,6.026648516,0.481965952,31.63555567,0.020092932,28.503943,36.65115794,16.74897864,145.8528079,70.78087971,3.032267456,35.60630548,21.9540086,129.0724886,5.376220229,3.559153067,104.4648692,9.461288234,145.61845,2.803873222,5.059039353,80.71306327,0.670580407,138.7637892,1.479607579,2.617388722,67.81426263,1.016717296,132.4624835,1.130430372,7.72428658,45.40198397,2.609946578,106.6171293,0.198673096,11.74044143,35.3717891,6.373505276,56.35018854,12.76018187,0.945118639,16.03844621,4.038813108,58.54710662,1.190829788,1.209691363,40.03335232,1.715853682,63.82115593,0.539250071,1.738270661,23.48091,0.200248055,57.93911281,0.257736111,1.711018623,15.84014637,0.410786726,52.03421023,0.198509528,4.150378527,9.959415949,0.777981131,41.81748297,0.034367943,36.32643517,36.48654532,21.20320874,210.0963289,113.7727793,4.161798169,44.06626511,35.37984822,166.7097718,8.084338493,5.190354269,136.4639273,14.54744578,189.1545661,3.883203881,7.475022081,115.2786853,0.939562692,184.3157271,2.107285552,3.044299428,101.727974,1.323072532,179.5752859,1.744453202,9.831870782,69.2015621,3.786968951,144.6620607,0.301353279,20.53441306,37.11810481,13.36598836,100.9547515,39.42249592,2.383065684,28.53607067,11.3974331,117.0170339,3.747185308,2.008017884,84.9351949,7.053543289,121.4337343,3.193922274,2.854487395,59.90195074,0.484444168,105.7201345,1.606512154,2.388325682,47.69074379,0.852144033,91.67930276,0.830512044,6.320767156,32.31529846,1.521852893,74.62220393,0.162928432,227.3233746,1.426557014,0.486568201,0.99165436,0.00622308,0.561475138,0.475898338,0.501961495,229.2364998,435.592197,822.6177791,0.987481541,1.539334972,200.4942231,0.961825866,0.120814885,0.994629142,0.004771509,0.436763347,0.216110383,0.030752432,201.5768638,217.1794191,442.0542893,0.991943713,0.683626162,217.4809135,1.108448657,0.256017874,0.993765157,0.005064985,0.513907565,0.287234016,0.139138675,218.84538,297.0292103,577.5919044,0.990647736,0.940280255,224.2279544,1.418160905,0.474415862,0.99163023,0.006271703,0.546288134,0.470141428,0.4779872,226.1205311,425.0414149,802.0220715,0.987445345,1.494416762,223.6757695,1.189479717,0.322475405,0.993285801,0.005282169,0.543601465,0.330984637,0.21993389,225.1877247,338.5713032,649.5561216,0.989928702,1.094519992,227.8007646,1.470562353,0.516588378,0.99135224,0.006399651,0.563835764,0.505670214,0.566075198,229.7879153,453.4341312,856.2766881,0.98702836,1.635581177,224.5181825,1.418717781,0.476298607,0.991630274,0.006266056,0.547703313,0.470497531,0.481818,226.4131989,426.1413687,804.2689807,0.987445411,1.500018845 +UMLPP0007,L,2-Ethylhexyl Adipate,CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC,PubChem,,-68,0,-2.2892,5.24043664,92.503,69.933306,0,0,68,26,42,0,22,0,4,0,0,0,0,0,0,0,4240.357354,4402.499929,5488.624148,5760.666541,5751.426036,5780.715661,5446.64077,4814.339518,4006.460924,11488.45221,14682.13603,19887.29163,22144.64848,22249.62717,21712.28037,20905.25345,18892.01372,16779.91904,501.473704,502.413652,948.516032,1280.771524,1340.270496,1316.945476,1217.69404,1231.17172,1059.89648,82.602358,107.794001,156.7475572,180.3605961,179.8030615,174.1241958,167.111455,158.1522455,143.1497336,11297.82236,9760.29974,20094.02406,28653.92198,29702.88999,29407.96478,26490.61885,27674.72271,24521.59086,221.1111111,158.9166667,285.3333333,344.3611111,389.8333333,386.2777778,409,429.9166667,277.9444444,62.35819638,65.70895416,42.87987616,32.91809452,31.95236687,32.65941051,33.62123932,29.00204529,27.07068192,168.9478267,219.1363587,155.3694658,126.5408485,123.6090398,122.6682507,129.0447744,113.8073116,113.3778314,7.374613294,7.498711224,7.4102815,7.318694423,7.4459472,7.440369921,7.516629877,7.416697108,7.161462703,1.214740559,1.608865687,1.22459029,1.030631978,0.998905897,0.983752519,1.031552192,0.952724371,0.96722793,166.1444465,145.6761155,156.984563,163.736697,165.0160555,166.1466937,163.5223386,166.715197,165.6864248,3.251633987,2.371890547,2.229166667,1.967777778,2.165740741,2.182360326,2.524691358,2.589859438,1.878003003,0.570682809,-0.325966334,0.075098447,0.033130422,-0.020152622,0.020643016,-0.331011044,0.324087972,0.039642378,2220.870744,9.281847266,-215.5938653,205.8881031,-286.8964949,165.9545639,-688.6474488,-79.85021338,442.353281,3309.828722,-205.2399633,-860.9016292,42.5138752,-206.1975508,578.9026643,-856.1218053,-172.9760978,341.3995266,4.175650118,0.073998502,1.649760955,-0.167493803,-1.251550311,-1.127317865,-1.456788574,2.51577483,0.396040803,14.69571394,-1.614132688,-4.193664928,-1.101410979,-0.670230325,2.673178393,-3.33898781,0.941340441,0.128540299,81.48062639,-9.969251273,-22.5638115,-8.377252498,-3.779605459,14.1039345,-17.91812224,9.397015624,-1.631342235,79.87581699,0.23183391,21.79584775,-3.626489812,-20.78892734,-14.24211842,-19.31199539,36.33419839,7.427143406,0.008392394,-0.004865169,5.87E-04,1.89E-04,-1.12E-04,1.17E-04,-0.002043278,0.001952337,2.68E-04,32.65986388,0.138535034,-1.684327073,1.176503446,-1.593869416,0.937596406,-4.250910178,-0.481025382,2.98887352,48.67395179,-3.063283035,-6.725793978,0.24293643,-1.145541949,3.270636521,-5.284702502,-1.042024685,2.306753558,0.061406619,0.001104455,0.012888757,-9.57E-04,-0.006953057,-0.006369027,-0.008992522,0.01515527,0.002675951,0.21611344,-0.024091533,-0.032763007,-0.006293777,-0.003723502,0.015102703,-0.020611036,0.005670726,8.69E-04,1.198244506,-0.148794795,-0.176279777,-0.047870014,-0.020997808,0.079683246,-0.110605693,0.056608528,-0.011022583,1.174644368,0.003460208,0.170280061,-0.020722799,-0.115494041,-0.080463946,-0.119209848,0.218880713,0.050183401,-0.579711702,0.069909325,0.022558127,-0.013340533,0.013896774,-0.243467834,0.232631728,0.031916268,0.004241752,-0.051571773,0.036022913,-0.048802084,0.028707909,-0.130157008,-0.014728334,0.091515186,-0.062934751,-0.138180561,0.004991097,-0.02353501,0.067194801,-0.108573525,-0.021408261,0.047391951,0.017985931,0.209891989,-0.015586389,-0.113229768,-0.103718908,-0.146442227,0.246801896,0.043577572,-0.111476328,-0.15160097,-0.029122562,-0.017229386,0.069883219,-0.095371375,0.026239578,0.004018795,-0.124177323,-0.147115031,-0.039950122,-0.017523809,0.066499988,-0.092306447,0.047242885,-0.009198943,0.002945749,0.144963076,-0.017641764,-0.09832256,-0.068500687,-0.101485906,0.186337856,0.042722208,1.622877781,0.938679692,1.000077076,1.309645993,1.429384136,1.695498612,0.87098191,0.742515171,1.166253654,1.115871288,0.958758258,1.100161164,1.015633912,1.222401293,1.033694265,0.817009165,1.459598702,1.288845726,1.005666988,0.999336295,0.887539861,1.110373661,0.964103626,0.929926214,0.711608472,0.696864503,0.973297436,1.446833839,1.460606931,1.607593154,1.025178471,0.587266617,1.591973148,1.336461533,1.044431454,0.99224328,0.879443965,1.102492534,0.909228161,0.969840715,1.613661154,1.336333554,1.05536619,1.00108513,0.891065658,1.112316811,0.894123319,0.97350441,0.576241715,0.496582471,0.841198639,1.251083631,1.239905308,1.784036484,1.29245137,0.800860753,346.6704556,173.8352278,270.3730009,347.5935326,13.36898202,173.8352278,1,5.00E-16,1.92E-17,-91.60508025,214.0375658,8.232214068,13.95199401,346.7433628,173.8702126,270.4303169,347.663728,13.37168185,173.8702126,0.997062316,1.05E-15,4.06E-17,-89.6623228,214.068613,8.233408193,13.95237112,411.25074,204.8273811,321.4017321,409.7775297,15.76067422,204.8273811,-1.595977912,0,0,0,242.5376796,9.328372294,14.2770084,346.8198798,173.9069295,270.4904715,347.7373991,13.37451535,173.9069295,0.993979201,2.33E-15,8.97E-17,-87.59992314,214.1012009,8.234661574,13.95276689,479.4920715,237.5814472,375.7159565,475.4959081,18.28830416,237.5814472,-4.329177057,8.88E-16,3.42E-17,-90.10913347,274.068935,10.54111288,14.59478712,354.3034946,177.4980157,276.3779322,354.9427593,13.65164459,177.4980157,0.692536744,2.22E-16,8.54E-18,-93.71349881,217.3048581,8.357879158,13.99138323,354.6271917,177.6294075,274.4100283,356.1650841,13.69865708,177.6294075,2.310606061,1.11E-16,4.27E-18,-95.51568148,201.9575446,7.76759787,13.8009495,0,11.89,15.9979368,-0.31632467,0.262632652,4.453677856,9.017867483,25,67,65,65,23,2,2,0,0,2,51.662694,3.633337212,3.590496564,3.493993914,3.381721512,3.20732369,3.181825049,2.971999792,2.768539139,1.927743456,1.924670786,1.842419177,1.72302287,1.7194711,1.521283419,1.446962528,1.425828303,3.590338084,3.574582284,3.493093758,3.283607254,3.235591695,3.188099956,2.881969368,2.803018739,1.889008991,1.878396037,1.805592965,1.66226444,1.648032571,1.54475327,1.378936019,1.340393765,3.732471537,3.705539169,3.626600607,3.475936256,3.396902935,3.360949145,3.126101301,3.019916462,1.712499729,1.704385524,1.621741877,1.435446421,1.422808656,1.309756336,1.084901694,1.05285681,3.597109158,3.586961078,3.501814181,3.282998678,3.260320012,3.183127758,2.882778847,2.836165844,1.872717988,1.853016567,1.780641119,1.639197108,1.602400081,1.546001658,1.349065549,1.284138472,3.767091727,3.749854668,3.674407363,3.506484683,3.470642561,3.411773541,3.179255748,3.115661394,1.669467634,1.657160752,1.576657834,1.378749189,1.353017519,1.28024416,1.012011805,0.960805594,5.084480438,5.082260839,3.624935958,3.623519949,3.399353905,3.376648606,3.348977224,3.174394419,1.810010214,1.80857623,1.691475856,1.502432166,1.500190659,1.252214108,1.134747502,1.125354938,0,0,2,0,0,6,12,2,0,0,0,0,0,0,0,0,0,0,0,0.98559856,0,0,0,0.526099421,0,0,0,1.802095141,1.965317756,2.029869742,1.030256758,1.026614063,0.912182184,19.62310958,12.56561057,9.482505459,6.865827515,4.405484084,3.224179755,2.079945889,1.096404521,0.754734984,0.502624423,0.338660909,0.236752673,0.157338717,0.111178612,0.079997919,0.049836569,17.68718864,10.8788705,7.406136624,5.058400335,2.900823251,1.89997226,1.040851493,0.427991783,0.680276486,0.43515482,0.264504879,0.174427598,0.10360083,0.065516285,0.04003275,0.019454172,36.2375803,66.96722505,63.63137255,64.56,40.6906024,522.9541353,0.532905593,0.984812133,0.935755479,0.949411765,0.598391212,7.69050199,6.066,106.998,187.4536761,291.6680282,374.9073522,14.41951355,187.4536761,5.55E-16,2.14E-17,-91.33114291,224.7148264,8.642877937,14.07856362,720,0,0,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20,2,0,0,0,0,0,0,0,0,0,0,4,0,14,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,34.34566253,-0.279762131,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.612058705,1.17,0,0,0,0,0,0,0,0,0,0,8.643786657,0,12.33087319,0,0,0,0.959439757,0,0,-0.279762131,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.59552844,10.75013408,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.375067042,-0.139881065,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252705394,0.585,0,0,0,0,0,0,0,0,0,0,2.143974373,0,0.39442169,0,0,0,0.479719878,0,0,-0.139881065,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.79776422,5.375067042,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.79776422,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.587586806,0.585,0,0,0,0,0,0,0,0,0,0,2.177918956,0,1.189981697,0,0,0,0.479719878,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.79776422,5.375067042,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,56,2.153846154,0.587586806,11.79776422,-0.09059073,-0.139881065,10.12480507,1.806547732,4.797764222,27.97889837,1.806547732,4.797764222,27.97889837,12.33332,0.47436,0,0.02564,0.49804,0.81795,0.43,0.49804,0.81795,0.06804,0,-0.06804,0,0.57994,0.13435,0,0.21622,0.16216,0,17,0.65385,14,0.53846,3,0.11538,-11,-0.42308,0,0,34.41111,1.3235,43.95103,9.53992,0.36692,10.46983,0.40269,12.56558,2.09576,0.08061,0.34842,0.0134,0.34842,0.0134,0,25.04,4,4,4,4,0,0,0.909090909,1.196509498,1.97427736,3.418961196,4.043057694,4.194388489,4.253212018,81.36264584,134.2508605,232.4893613,274.9279232,285.2184173,289.2184173,0.196553068,0.324318589,0.561639764,0.664161376,0.689020795,0.698683857,4.890953344,4.113185481,2.668501646,2.044405147,1.893074352,1.834250823,0.195875372,0.323200369,0.559703283,0.66187141,0.686645117,0.696274861,10.59910717,20.1673165,24.73009472,26.00567332,26.15818829,26.86407064,95.25344753,60.17570373,46.80598316,40.03221438,38.70993823,36.53055269,26,18.36734694,15.75267539,26,3,7,3.44,3.3572,0.500584099,8.039792839,2.249433955,0,16.18254485,12.45634964,0,1.066646194,0,0,0.142857143,1.069044968,0.142857143,0,0,0,0,0,0,0.003,0.799,0.788,0.911,0.09,11.476,28,29,28,29,26,22,20,17,18,268,3.33220451,3.496507561,3.526360525,3.496507561,3.583518938,3.496507561,3.401197382,3.218875825,2.995732274,3.135494216,5.743003188,1.160447761,0.473684211,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19,0.76,23,0.92,2,10,19,0.9,4.5,2,0.875,0.88,0.555555556,0.326530612,0.21875,0.074074074,0.14,0.115702479,0.18,0.071428571,0.030172414,0.031428571,0.019157088,0.01255887,0.009943182,0.003703704,0.008235294,0.006427916,0.396217406,187.4536761,291.6680282,374.9073522,14.41951355,187.4536761,5.55E-16,2.14E-17,-91.33114291,224.7148264,8.642877937,14.07856362,52.6,418.9561099,5.700439718,4.672828834,5.398162702,6.154858094,6.900730664,7.661527081,8.414274137,9.176059438,9.931929226,10.69387487,120.004245,3.931825633,0,5.093750201,0,6.411818268,0,7.797702036,0,9.220389708,9.501591069,370.3083098,5.445710439,50.14750812,1.928750312,11.00988855,11.00988855,0,2351,29,7.356,106,1.247029851,2.148170605,2.887551181,3.606331605,4.539570401,5.522124051,6.477966694,7.500958637,8.912081123,10.02845097,93.3405413,101.5100223,106.4953092,135.3943952,172.6658762,212.4285639,218.1011941,239.4755461,268.671202,322.9173381,298.4668676,356.4563497,392.9063006,494.9296878,614.2205475,774.5222211,806.2757304,947.5345994,1119.241356,1210.444448,9.402047024,15.99888375,21.20498089,26.96312638,34.01641257,41.81328458,48.36747259,54.12422195,65.87044747,72.90106896,2.138111658,2.759406755,3.130161013,3.8890709,4.783812395,6.033796618,6.56013935,7.831877308,9.196000462,9.931907526,179.6143817,333.810716,469.1308385,586.5890851,745.1264737,893.1984028,1069.900155,1224.45052,1460.997533,1652.354003,3.030267413,4.960615307,5.791293488,7.915139784,10.33043847,14.32768547,17.40257832,14.87317502,19.21415393,19.90841981,0.466722873,0.618847891,0.714612484,0.905449164,1.121847599,1.421639026,1.520444113,1.760860281,2.106897535,2.292934961,838.4566199,1644.47464,30.18422171,260.162888,-510.2604732,-31.40537917,578.2937319,2154.735113,61.58960088,0.76319109,1.496855488,0.027474682,0.23680891,-0.464456046,-0.02858622,921.1447992,1806.65192,33.1609748,285.820024,-560.5821099,-34.50256221,0.133308139,0.160772353,0.750432656,0.659320426,999.2850235,99.33448444,0.90958245,0.09041755,1854.866442,43.06816042,12.28676489,2261.721957,47.55756467,13.12642329,3835.137888,61.92849011,15.65285856,4.381705112,4.381705112,16844.25689,16670.37781,443.2962619,1.010430422,37.99774177,37.60550054,9.204920969,12.73452898,24.252974,0.90450499,11.74027594,19.80260242,11.50417442,75.14110242,27.2993214,20.83369457,27.40931552,32.5542777,44.77808306,13.48993128,20.43929549,26.20969181,18.81207352,12.28081274,7.069168254,33.52363893,10.88670106,20.86602725,5.850675914,4.864921599,38.25122106,11.40137331,22.1672685,5.302126225,8.897991673,22.97775309,15.82839261,20.6685372,4.212920639,17.59862789,1.018295002,19.32673218,1.000317755,25.29247602,1.585005662,6.717853312,6.919080031,2.825293545,10.75370449,1.832171237,10.22964302,4.497043229,3.221550729,3.370340756,0.593123929,13.29227821,0.682105917,8.300769418,0.384984319,0.330110202,9.354351634,0.584702063,8.79367709,0.996281907,2.096463143,4.32095022,0.802377036,6.574351078,0.186713784,4.633575688,3.192345552,18.81654904,2.589258627,28.14692877,3.341469427,8.464235549,8.157631474,6.205236143,13.37783764,3.182885622,10.76797837,5.933650379,3.643586828,2.978432368,1.201042647,16.64972865,1.918015131,7.768745928,0.733961531,0.720833572,12.86281756,1.959128961,8.510402803,1.370292471,2.89504149,6.373137233,2.803836367,7.146400811,0.652915164,6.235547209,11.09209297,20.01833702,12.02687818,73.36280201,25.30136277,20.01377125,28.38183185,30.54076552,46.1246278,13.02414299,20.02173223,25.22350863,18.25130554,12.62772063,8.076743234,32.48435791,10.5712993,23.00695392,5.505969851,4.829401828,36.77901091,10.84707406,24.04082598,5.060417565,8.324228473,22.1788631,14.72981208,21.5676069,3.979304876,16.74836551,4.689766523,18.67033581,3.502617583,31.82381103,5.395195164,9.977977158,9.429636156,9.154680727,15.56379284,4.261275037,11.63475246,7.705729339,4.93764797,3.432660868,1.410343456,19.2127204,2.873816679,7.841419039,1.161825858,1.045948656,16.00670041,3.047996083,8.810820386,1.726130744,3.617568246,8.204892175,4.443917914,7.937473066,1.043383858,7.585351448,14.17812966,20.35261153,15.17683433,97.33065495,39.22835616,25.62657285,36.01353165,43.97149098,59.33204554,18.04675242,24.42190397,35.33242055,25.90438935,16.7978554,10.18558947,38.86943049,14.7538675,27.32096914,8.331916544,6.881519118,47.57627168,15.38338442,28.50090036,7.193834114,11.3999363,29.71485577,21.10927175,26.59650576,5.769901735,22.30699733,7.688547914,19.08912861,9.920109881,64.33346849,16.04911643,15.21360072,29.67835662,21.75590885,48.46564614,11.6821153,16.01477599,24.52253529,28.12094792,18.5566014,9.01504209,26.96849978,9.539572967,30.16492435,3.463437616,4.034237669,32.75074514,8.195127986,29.30124927,3.462270772,5.224095405,20.42161295,9.170336128,23.55945673,2.916621519,11.28627252,53.38260516,1.329051795,0.760954088,0.962323643,0.023958703,0.601867673,0.386854162,0.437558982,55.47261105,112.5813062,222.042276,0.943485465,1.426280817,44.65808907,0.833222668,0.363696879,0.973897736,0.01817081,0.421126901,0.168862539,0.081101031,45.85500862,53.7551802,113.1433977,0.960846604,0.671090471,49.90846593,1.011320357,0.501991199,0.97057061,0.019667161,0.525978665,0.22550724,0.185079703,51.42177748,76.03473215,152.7937361,0.955855915,0.936565608,52.39041232,1.304712765,0.752476849,0.962217076,0.023962722,0.579686813,0.376513168,0.421246604,54.44760193,108.7587782,214.6415136,0.943325614,1.377446585,51.95956738,1.110681604,0.568285695,0.968698487,0.020706785,0.570137145,0.267677783,0.24438258,53.63853468,87.86959899,174.3042055,0.95304773,1.082197508,53.5790014,1.367778429,0.79609553,0.961181156,0.024537278,0.60631737,0.410631037,0.478350024,55.74287536,117.0270882,231.1111894,0.941771735,1.495298431,52.57353343,1.317713041,0.761254215,0.961960254,0.024110755,0.583758879,0.384967106,0.430115779,54.65250069,110.3017691,217.6915491,0.942940381,1.398841764 +UMLPP0008,L,2-Ethylhexyl Azelate,CCCCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)CCCC,UML,,-64,0,-3.1532,9.94267024,101.2378,79.214064,0,0,77,29,48,0,25,0,4,0,0,0,0,0,0,0,4679.246101,4907.93482,6069.749759,6350.936728,6341.696223,6370.985848,6036.910957,5081.652864,4669.190183,12945.50538,16641.10644,22627.93296,25165.04352,25270.0222,24732.6754,23925.64849,21907.07436,19748.8067,564.406036,567.740992,1076.704556,1469.426224,1528.925196,1505.600176,1406.34874,1419.439536,1242.102284,93.63673543,122.8419669,179.8106276,207.4251827,206.8676481,201.1887824,194.1760416,183.2579911,166.4813836,12787.71134,11059.41809,22866.63066,33090.78745,34139.75546,33844.83025,30927.48431,31985.6754,28348.09914,233.8611111,174.6666667,313.0833333,381.1111111,426.5833333,423,443.4166667,418.3333333,342.7777778,60.76942988,64.57808974,41.57362849,31.44028083,30.63621364,31.23032278,31.94132781,26.466942,27.30520575,168.1234465,218.9619268,154.9858422,124.5794234,122.0774019,121.2386049,126.5907327,114.0993456,115.4900977,7.329948519,7.470276211,7.37468874,7.274387248,7.386112058,7.38039302,7.440998624,7.39291425,7.263756047,1.216061499,1.616341669,1.231579641,1.02685734,0.999360619,0.986219522,1.027386464,0.954468704,0.973575343,166.0741733,145.5186591,156.6207579,163.8157794,164.9263549,165.9060306,163.6374831,166.5920594,165.7783575,3.037157287,2.298245614,2.144406393,1.886688669,2.06078905,2.073529412,2.346119929,2.178819444,2.004548408,0.583388521,-0.326146094,0.066804959,0.019835022,-0.068108447,0.010799954,0.059928322,-0.021193733,0.067219888,2467.763646,8.808078313,-340.7398053,225.8689832,-261.3129414,185.961538,-652.7279177,-610.7678631,36.32669628,3761.293994,-206.6544115,-1092.386107,50.46951457,-199.2616526,581.8327417,-843.1073567,-247.3304242,155.0951361,4.252618805,0.08629292,1.663360343,-0.077384398,-1.09790697,-0.977804419,-1.279643665,-1.665234216,-0.451380775,16.70859066,-1.613455791,-5.197319021,-1.102803271,-0.670305613,2.674429528,-3.34081451,0.783265439,0.662127905,92.41905901,-9.947080649,-27.94164169,-8.408203332,-3.762390565,14.16101099,-17.95124921,6.850888646,3.316697748,80.97474747,0.537190083,21.95661157,-2.204315886,-18.19834711,-11.76859504,-18.31680441,-31.80716253,-5.331726354,0.007576474,-0.004291396,4.58E-04,9.82E-05,-3.29E-04,5.29E-05,3.17E-04,-1.10E-04,3.93E-04,32.04887852,0.115895767,-2.333834283,1.118163283,-1.26238136,0.911576167,-3.453586866,-3.18108262,0.21243682,48.84797395,-2.719136993,-7.482096624,0.249849082,-0.962616679,2.852121283,-4.460885485,-1.288179292,0.9069891,0.055228816,0.001135433,0.011392879,-3.83E-04,-0.005303898,-0.004793159,-0.006770601,-0.008673095,-0.002639654,0.216994684,-0.021229681,-0.035598075,-0.005459422,-0.003238191,0.013109949,-0.017676267,0.004079507,0.003872093,1.20024752,-0.13088264,-0.191381107,-0.041624769,-0.0181758,0.069416721,-0.094980155,0.035681712,0.019395893,1.051620097,0.007068291,0.15038775,-0.010912455,-0.08791472,-0.057689191,-0.096914309,-0.165662305,-0.031179686,-0.566410682,0.060393291,0.012960273,-0.043427365,0.006987545,0.041850742,-0.014569313,0.051884128,0.003616219,-0.07282109,0.034889311,-0.039389252,0.028443309,-0.107759991,-0.099257221,0.006628526,-0.055665297,-0.153171074,0.00511483,-0.019706379,0.058387709,-0.091321812,-0.026371192,0.018567589,0.020558709,0.206285051,-0.006936435,-0.096034984,-0.086787284,-0.122591827,-0.157039306,-0.047794863,-0.09783503,-0.16405045,-0.025159244,-0.014922906,0.06041599,-0.081459448,0.018800034,0.017844184,-0.109046374,-0.159451367,-0.034680154,-0.015143376,0.057835338,-0.079133806,0.029728628,0.016159911,0.006721335,0.143005778,-0.010376803,-0.083599316,-0.054857445,-0.092157148,-0.157530562,-0.029649192,1.620490546,0.948900817,0.994512185,1.317223927,1.404600766,1.413242192,1.299728756,0.978015839,1.196750204,1.151913121,0.958665926,1.084672578,1.00923924,1.187974729,1.139308737,0.970968408,1.463965315,1.314826036,1.004772125,0.999254519,0.902457227,1.094421616,0.969173889,0.949228199,0.715459377,0.697892506,0.951747279,1.413572638,1.423972316,1.548198604,1.569447746,1.047520176,1.580890655,1.357097582,1.038700338,0.99350458,0.895914461,1.088124064,0.917077436,0.946471448,1.600133796,1.356418829,1.047903613,1.000881367,0.905412281,1.096203402,0.914385274,0.94779575,0.577683528,0.496781894,0.822405274,1.224088241,1.210778505,1.732702096,1.777731866,1.244405636,452.9675382,226.9837691,358.8089788,453.8985726,15.65167492,226.9837691,1,5.00E-16,1.72E-17,-102.1748972,2000175.416,68971.56608,42.07536178,453.0453528,227.0212075,358.8675319,453.9736522,15.65426387,227.0212075,0.997062316,1.19E-15,4.12E-17,-99.64949496,2000175.431,68971.56658,42.07536181,521.8380199,260.121021,410.9709097,520.3521094,17.94317619,260.121021,-1.595977912,9.99E-16,3.45E-17,-100.1647704,2000189.098,68972.03786,42.07538162,453.12702,227.0604996,358.928985,454.0524489,15.656981,227.0604996,0.993979201,1.14E-15,3.92E-17,-99.78761631,2000175.446,68971.56711,42.07536183,594.5280171,295.09942,466.6013629,590.497404,20.36197945,295.09942,-4.329177057,6.66E-16,2.30E-17,-101.3406192,2000204.71,68972.57622,42.07540426,461.1134298,230.9029833,364.9437478,461.7582054,15.92269674,230.9029833,0.692536744,2.11E-15,7.27E-17,-97.99784861,2000176.96,68971.61932,42.07536402,465.1538927,232.8651479,367.8979548,466.7147847,16.09361327,232.8651479,2.313047619,4.16E-16,1.44E-17,-102.7036297,2000169.457,68971.36058,42.07535314,0,11.89,15.99793984,-0.31632467,0.262655064,4.457080338,9.018722554,28,76,74,74,26,2,2,0,0,2,58.221936,3.625253906,3.604554129,3.510406122,3.442449215,3.276509862,3.19716828,3.164418835,2.92146585,1.930482871,1.925408145,1.902482762,1.739821794,1.721753343,1.707888564,1.48871276,1.446177484,3.591527057,3.578376275,3.529694344,3.391901808,3.250099854,3.229423751,3.124152191,2.870048441,1.892056785,1.880930975,1.846638911,1.715000413,1.654916004,1.639314611,1.491839626,1.374266684,3.730749389,3.712873747,3.65258426,3.554637267,3.422371156,3.388397776,3.319275996,3.102469531,1.715418684,1.70628997,1.670876807,1.510605574,1.428678134,1.416743877,1.244955776,1.082084112,3.599347908,3.58934616,3.54740203,3.387913194,3.268695973,3.254984156,3.109600493,2.878191875,1.873488935,1.858092752,1.811106853,1.705779344,1.616160782,1.593468555,1.494869583,1.336474736,3.768537082,3.75411841,3.708602026,3.587361498,3.483530655,3.462882553,3.353787071,3.168250585,1.671741616,1.66008069,1.618139876,1.47261163,1.362609578,1.346730156,1.212526423,1.005482389,5.109228232,5.109174758,3.632202973,3.631328817,3.511921986,3.386617259,3.381643608,3.249797463,1.805136765,1.802927344,1.771689687,1.550010164,1.495507333,1.491456522,1.221128983,1.128711876,0,0,2,0,0,6,15,2,0,0,0,0,0,0,0,0,0,0,0,0.98559856,0,0,0,0.526099421,0,0,0,1.802095141,1.965317756,2.029869742,1.030256758,1.026614063,0.912182184,21.74442992,14.06561057,10.54316563,7.615827515,4.93581417,3.594970567,2.376615719,1.220743842,0.749807928,0.502343235,0.340102117,0.23799461,0.159219812,0.11234283,0.081952266,0.050864327,19.80850898,12.3788705,8.466796796,5.808400335,3.431153337,2.264248956,1.296515336,0.591722181,0.683052034,0.442102518,0.273122477,0.18151251,0.110682366,0.07075778,0.044707425,0.024655091,40.86306371,75.63073562,71.80784314,72.84,46.08626587,592.0389006,0.530689139,0.982217346,0.932569391,0.945974026,0.598522933,7.688816891,7.2363,120.849,241.4838903,380.5934286,482.9677806,16.6540614,241.4838903,2.78E-16,9.57E-18,-103.8794785,2000180.503,68971.74147,42.07536916,940,0,0,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23,2,0,0,0,0,0,0,0,0,0,0,4,0,17,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,34.56079833,-0.116522959,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.335709885,1.088368056,0,0,0,0,0,0,0,0,0,0,8.715442726,0,16.3163815,0,0,0,1.023900396,0,0,-0.116522959,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.69885415,10.86194419,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.430972093,-0.058261479,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.248508542,0.544184028,0,0,0,0,0,0,0,0,0,0,2.165227043,0,0.516289595,0,0,0,0.511950198,0,0,-0.058261479,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.84942707,5.430972093,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.84942707,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.573593893,0.544184028,0,0,0,0,0,0,0,0,0,0,2.19249432,0,1.209962635,0,0,0,0.511950198,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.84942707,5.430972093,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,60.5,2.086206897,0.573593893,11.84942707,-0.108541922,-0.058261479,12.08115455,1.724928146,4.849427074,28.55248212,1.724928146,4.849427074,28.55248212,13.83332,0.47701,0,0.02299,0.49048,0.80575,0.43034,0.49048,0.80575,0.06014,0,-0.06014,0,0.59201,0.12228,0,0.19277,0.14458,0,18.5,0.63793,15.5,0.53448,3,0.10345,-12.5,-0.43103,0,0,40.19636,1.38608,49.9497,9.75334,0.33632,11.96983,0.41275,14.06558,2.09576,0.07227,0.34842,0.01201,0.34842,0.01201,0,28.04,4,4,4,4,0,0,0.92,1.173609855,1.900761653,3.294286968,4.019028016,4.315632892,4.335240359,90.36795885,146.3586473,253.6600965,309.4651572,332.3037327,333.8135077,0.187274586,0.303307228,0.525674035,0.64132199,0.68865165,0.691780441,5.093176685,4.366024888,2.972499573,2.247758525,1.951153649,1.931546181,0.186719929,0.302408913,0.524117129,0.639422566,0.686612048,0.689731573,10.29675713,19.23010673,23.84000196,26.12596348,26.24714262,26.83792559,106.5332478,70.46098209,55.21060143,43.73729306,41.49840155,39.84283636,29,21.24037461,18.484375,29,3,9,3.77,3.7799,0.448891764,8.415424591,2.016261425,0,22.26085038,12.88398711,0,0.852007857,0,0,0.1,0.894427191,0.1,0,0,0,0,0,0,0.003,0.799,0.788,0.911,0.09,12.973,31,32,31,32,29,24,23,20,20,299,3.433987204,3.583518938,3.610917913,3.583518938,3.663561646,3.583518938,3.36729583,3.33220451,3.135494216,3.258096538,5.831882477,1.137123746,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22,0.785714286,26,0.928571429,2,11,22,1,4.5,2,0.875,0.88,0.611111111,0.285714286,0.21875,0.098765432,0.12,0.082644628,0.160714286,0.064516129,0.02734375,0.028387097,0.019097222,0.009852217,0.009114583,0.004294149,0.006,0.004132231,0.360592476,241.4838903,380.5934286,482.9677806,16.6540614,241.4838903,2.78E-16,9.57E-18,-103.8794785,2000180.503,68971.74147,42.07536916,52.6,470.8440637,5.857980995,4.779123493,5.501258211,6.251903883,6.993015123,7.748028524,8.495560891,9.252153875,10.00265392,10.75992212,126.78362,4.043051268,0,5.198497031,0,6.50578406,0,7.880426344,0,9.292565312,9.577341814,412.35526,5.355263117,56.14745729,1.936119217,11.01178606,11.01178606,0,3384,32,9.063,118,1.247342105,2.149744484,2.886243052,3.608837501,4.59542531,5.588125417,6.591787633,7.634202161,9.030220351,10.14507809,92.02381802,98.5600785,102.6008838,131.1967715,167.0337498,204.5269667,202.6973028,244.4310653,270.9160877,307.8150937,298.6649997,355.7330224,388.2241971,493.3921389,614.6589614,771.2334575,821.4153154,978.0239634,1147.456655,1224.48136,9.367385719,15.92937892,21.06632451,26.77817294,34.12171688,41.84486091,49.00720426,55.88410641,66.31919893,72.86898925,2.150423869,2.776507028,3.124512897,3.921217116,4.859673814,6.103532437,6.681053612,8.001304169,9.483007518,10.44743653,179.4215706,333.2923657,469.0991036,585.7216165,753.0382238,903.7577928,1087.727905,1247.894193,1474.079252,1661.485851,2.938489035,4.768312194,5.553946596,7.565454569,9.884390153,13.40780117,14.65991119,16.04289853,18.85918826,21.70571024,0.466358092,0.617833592,0.706945847,0.901885631,1.1243555,1.417027391,1.546510532,1.817215805,2.147866528,2.309552079,864.5342933,1833.536665,26.84704004,244.813819,-519.210304,-29.93708421,619.7204743,2352.746969,56.78412425,0.779317406,1.652805503,0.024200735,0.220682594,-0.468031899,-0.026986195,959.0694863,2034.030438,29.78271319,271.5837479,-575.9849706,-33.21064785,0.123280839,0.148679323,0.693985891,0.60972744,1027.281065,82.06704767,0.926022277,0.073977723,2041.111149,45.17865812,12.68495366,2506.088881,50.06085178,13.58309766,4184.016986,64.68397781,16.11379421,5.167180059,5.167180059,26275.19297,26069.1086,479.8771628,1.007905309,54.75399749,54.32454516,10.25536587,14.00968552,27.94926898,0.994996172,13.41367926,22.64815434,12.39317194,90.05973571,33.22387035,20.83374149,29.79222522,32.948161,58.09544883,13.62230007,20.43856201,37.85094155,18.92082619,25.48773747,6.587721248,37.95673114,14.66781968,16.78067577,10.48190157,5.696966516,61.38283515,9.953395568,20.08084669,5.599161973,5.023174785,47.20635906,13.64781978,19.99289553,3.38577347,9.489285106,1.158732147,22.17215779,1.066668551,28.33265381,1.627204695,6.71789985,7.286757024,2.828068764,13.99286588,1.833103082,10.22508179,5.397003496,1.559978043,6.341634561,0.488308005,15.15315267,2.178520596,2.703639238,2.714374743,0.145094355,16.25405543,0.430517262,6.317126191,2.081327967,0.271912108,10.84645287,0.580255771,7.774942933,0.339003446,2.012736398,3.645693775,21.66198332,2.808887597,31.99054364,3.777510331,8.464282112,8.936618969,6.234147688,17.88692392,3.192600423,10.76376993,8.797683841,3.310853743,7.773979189,1.044462007,18.26904929,3.07993402,4.479462149,2.715693816,0.687812964,21.87939476,1.654518875,6.887637477,2.184482801,0.826974629,15.36261288,2.181665973,7.857020616,0.65783905,2.733137805,12.6716492,22.86387516,12.86033416,86.98071475,30.58035418,20.01381813,30.64135578,30.89170918,58.53038452,13.1420793,20.02210211,36.13761511,17.76664364,25.71187698,7.30387307,37.00920316,14.36914359,15.85966623,10.23551296,5.148172501,59.26651868,9.11615507,20.47959131,5.542961552,4.851281948,46.11283671,12.61118047,20.86119492,3.168943529,9.207934482,5.357918391,21.51578113,3.831814597,36.70033074,6.341172913,9.978023754,10.49098772,9.217477843,21.18248238,4.282377805,11.63053584,11.98647694,4.907825431,9.205213641,1.292749198,20.88477547,4.0946536,5.9415444,3.230764922,1.235714892,27.07255829,2.7085782,7.969105498,2.457088876,1.265906465,19.16129473,3.562081576,8.410201856,0.969411718,3.385207483,16.19900652,23.19822136,16.27735834,117.7164713,47.86721463,25.62661995,38.85329997,44.54592929,76.27705319,18.23979942,24.42315503,49.78461537,26.06238236,33.17547418,9.492552554,44.62895483,19.70866004,21.93187386,14.10204145,7.966108056,75.42387523,13.3434659,25.84417809,6.960538804,6.867653917,59.0205285,18.46934679,25.45007664,4.501548054,12.50172713,8.800575312,21.91826643,10.57022688,72.69351825,18.64596996,15.42445232,31.57635036,22.21515612,56.74523274,11.89700141,16.23643215,31.3471632,11.58129159,29.44620069,6.69147185,29.48168194,14.98630141,11.49727123,13.16809547,2.642871884,49.2250409,5.064870184,23.01159962,7.695708436,3.281499282,40.8608915,7.348234462,23.98133112,2.537942475,6.506526536,71.46425294,1.281111187,0.755399771,0.972292656,0.017429903,0.601017702,0.393924021,0.416658282,73.5007639,146.5054853,289.1658584,0.958438984,1.411600005,62.89159664,0.858084369,0.332142368,0.981426453,0.013390449,0.465476004,0.198437008,0.068716188,64.08182338,75.14026602,157.1465827,0.97213968,0.732629201,67.94156687,0.987151298,0.488480147,0.978742567,0.014220558,0.543227828,0.238754367,0.169695667,69.41719831,100.7389163,202.9177971,0.96811385,0.951677861,70.55030288,1.268334754,0.742991961,0.972281125,0.017479414,0.585743408,0.391349182,0.396301655,72.5616296,142.8420714,281.8876626,0.958421688,1.373394245,69.90802,1.066943037,0.562298463,0.977225274,0.014914508,0.575127893,0.272435195,0.231655759,71.5372615,114.4969878,227.9748969,0.965837912,1.079218847,71.69085861,1.319899565,0.790364264,0.971406074,0.017884546,0.604835071,0.41871215,0.455364342,73.80112244,152.3298272,300.9189571,0.957109111,1.478911563,70.73585417,1.281902508,0.750253758,0.972073494,0.017616292,0.588828386,0.40074601,0.402815368,72.76801044,144.7080614,285.5064333,0.958110241,1.392389764 +UMLPP0009,L,2-Ethylhexyl Sebacate,CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC,PubChem,,-60,0,-3.4412,11.84185744,104.1494,82.30765,0,0,80,30,50,0,26,0,4,0,0,0,0,0,0,0,4825.54235,5076.413117,6263.458296,6547.693457,6538.452952,6567.742577,6233.667686,5278.409593,4865.946912,13431.18977,17294.09657,23541.48007,26171.84186,26276.82055,25739.47375,24932.44683,22913.8727,20755.60505,585.38348,589.516772,1119.434064,1532.311124,1591.810096,1568.485076,1469.23364,1482.324436,1304.987184,97.31486124,127.8579555,187.4983177,216.4467115,215.889177,210.2103113,203.1975705,192.27952,175.5029125,13284.341,11492.45755,23790.83286,34569.7426,35618.71061,35323.7854,32406.43947,33464.63056,29827.05429,238.1111111,179.9166667,322.3333333,393.3611111,438.8333333,435.25,455.6666667,430.5833333,355,60.31927938,64.25839389,41.20696247,31.03172255,30.27061552,30.83447219,31.48317013,26.26074424,27.0330384,167.8898722,218.9126148,154.8781584,124.0371652,121.651947,120.8425998,125.9214486,113.9993667,115.3089169,7.3172935,7.46223762,7.364697789,7.262138028,7.369491185,7.3637797,7.420371919,7.374748438,7.2499288,1.216435766,1.618455133,1.233541564,1.025813799,0.99948693,0.98690287,1.026250356,0.956614527,0.975016181,166.0542625,145.4741462,156.5186372,163.8376427,164.901438,165.8393681,163.6688862,166.4906993,165.7058572,2.976388889,2.27742616,2.120614035,1.864270669,2.031635802,2.04342723,2.301346801,2.142205638,1.972222222,0.587631357,-0.326146109,0.064683047,0.01982412,-0.068276319,0.009049438,0.04855143,-0.05602205,0.10358191,2549.823236,8.670868224,-382.2749265,231.4439416,-254.1356812,191.5498408,-642.6756904,-605.8950666,39.00278326,3911.721896,-207.0559283,-1169.235799,52.70167308,-197.3146381,582.6425041,-839.4517038,-247.1914198,155.1644735,4.2767982,0.089757877,1.66588002,-0.052388752,-1.05481774,-0.935940708,-1.230227945,-1.622054578,-0.42758455,17.37954816,-1.613264021,-5.532009035,-1.103198264,-0.670327366,2.674783541,-3.341332814,0.783871996,0.662464698,96.06497285,-9.940801852,-29.73872892,-8.417056242,-3.757582121,14.17710492,-17.96075612,6.874838927,3.329973438,81.31111111,0.623333333,21.98666667,-1.812222222,-17.47333333,-11.07,-17.25333333,-30.85666667,-4.8,0.007345392,-0.004128432,4.26E-04,9.40E-05,-3.16E-04,4.25E-05,2.45E-04,-2.79E-04,5.75E-04,31.87279045,0.109757826,-2.514966621,1.096890719,-1.17655408,0.899295027,-3.24583682,-3.014403316,0.216682129,48.8965237,-2.620961118,-7.692340782,0.249770962,-0.913493695,2.735410817,-4.23965507,-1.229808058,0.862024853,0.053459978,0.001136176,0.010959737,-2.48E-04,-0.004883415,-0.004394088,-0.006213272,-0.008069923,-0.00237547,0.217244352,-0.020421064,-0.036394796,-0.005228428,-0.003103367,0.012557669,-0.016875418,0.003899861,0.003680359,1.200812161,-0.125832935,-0.195649532,-0.039891262,-0.017396214,0.066559178,-0.09071089,0.034203179,0.018499852,1.016388889,0.007890295,0.144649123,-0.008588731,-0.080895062,-0.051971831,-0.087138047,-0.153515755,-0.026666667,-0.562043767,0.057933785,0.012790764,-0.043032975,0.005783984,0.033382731,-0.037944424,0.078342321,0.003443621,-0.078906383,0.034414643,-0.036914059,0.028215133,-0.101837234,-0.094576072,0.006798342,-0.053602197,-0.157318766,0.005108154,-0.018682181,0.055942848,-0.086706677,-0.025151237,0.017629573,0.021252827,0.20500826,-0.00464437,-0.091347129,-0.082193971,-0.116222878,-0.150952613,-0.044434544,-0.094000435,-0.167529309,-0.024067037,-0.014285147,0.057804353,-0.077679434,0.017951494,0.016941105,-0.104789857,-0.162931005,-0.033220235,-0.01448704,0.055428468,-0.075541282,0.028483371,0.015406117,0.007763067,0.14231671,-0.008450241,-0.079590659,-0.051133805,-0.085732979,-0.151040371,-0.026236677,1.619620602,0.951839958,0.990646016,1.310721299,1.397394785,1.408460562,1.312400308,0.939341063,1.205715994,1.16245898,0.958854621,1.080467296,1.007635088,1.178691596,1.132170097,0.969650778,1.465219541,1.322117363,1.004529421,0.999238348,0.906584243,1.090078198,0.970555055,0.951833792,0.716959711,0.69862976,0.945915664,1.404242872,1.413737459,1.531901315,1.553900524,1.033445435,1.57776709,1.362866715,1.037105661,0.993842622,0.900451326,1.084191951,0.920959402,0.949388509,1.596313077,1.362060791,1.045843291,1.00082752,0.909389156,1.09181184,0.918196754,0.950379657,0.578368407,0.49715194,0.817321828,1.216595242,1.202687566,1.714571584,1.760278275,1.226615879,491.4504452,246.2252226,390.6654664,492.3837785,16.41279262,246.2252226,1,1.53E-15,5.09E-17,-102.3472852,287.1054362,9.570181208,16.97954857,491.529728,246.2633952,390.724346,492.4603195,16.41534398,246.2633952,0.997062316,1.11E-15,3.70E-17,-103.3026464,287.1360571,9.571201902,16.97986851,561.6134828,280.0087524,443.1237652,560.1239034,18.67079678,280.0087524,-1.595977912,5.00E-16,1.67E-17,-105.6981695,315.3551023,10.51183674,17.26109794,491.6129361,246.3034577,390.7861418,492.54065,16.41802167,246.3034577,0.993979201,3.89E-16,1.30E-17,-106.4521128,287.1681975,9.57227325,16.98020429,635.6577273,315.6642751,499.0975396,631.617162,21.0539054,315.6642751,-4.329177057,1.28E-15,4.26E-17,-102.8833606,347.1402975,11.57134325,17.54918704,499.7499203,250.2212285,396.8344557,500.3962879,16.67987626,250.2212285,0.692536744,2.16E-15,7.22E-17,-101.2991583,290.3285812,9.677619372,17.01303996,505.1085252,252.8346941,401.452696,506.6763254,16.88921085,252.8346941,2.313736264,1.28E-15,4.26E-17,-102.8833606,273.4081276,9.113604253,16.83289696,0,11.89,15.99794085,-0.31632467,0.262662698,4.457323372,9.018784808,29,79,77,77,27,2,2,0,0,2,60.40835,3.623611145,3.607302784,3.515177919,3.453731938,3.312664008,3.202509301,3.177631844,3.005483289,1.932506995,1.925611699,1.911398384,1.77006643,1.722322396,1.71732476,1.547169199,1.449534424,3.591896666,3.57934269,3.537195547,3.418251605,3.26198379,3.233341898,3.175017409,2.935216174,1.893222888,1.881607775,1.854075798,1.73996209,1.657706063,1.644981686,1.539931226,1.39199055,3.730316669,3.714609255,3.658837162,3.572218572,3.440555133,3.393205457,3.350728377,3.161951272,1.716684228,1.706798629,1.679465933,1.542642157,1.431472751,1.420890139,1.308073622,1.104543166,3.600193941,3.589969196,3.555904687,3.419452579,3.274240923,3.25855583,3.172831719,2.92551914,1.873709627,1.859365738,1.817725949,1.724943875,1.623763104,1.598635282,1.53289593,1.37120111,3.768978606,3.755209245,3.715680034,3.610133104,3.49142177,3.467594106,3.398662047,3.209145796,1.672544251,1.660843547,1.626067935,1.500947865,1.368609945,1.350807524,1.268843867,1.047737715,5.116569101,5.116553749,3.634269962,3.633512069,3.533874979,3.390628266,3.38477296,3.300945564,1.804454863,1.801310701,1.783314454,1.598951426,1.494251889,1.491945868,1.316201923,1.129621734,0,0,2,0,0,6,16,2,0,0,0,0,0,0,0,0,0,0,0,0.98559856,0,0,0,0.526099421,0,0,0,1.802095141,1.965317756,2.029869742,1.030256758,1.026614063,0.912182184,22.4515367,14.56561057,10.89671902,7.865827515,5.112590865,3.719970567,2.465004067,1.283243842,0.748384557,0.502262433,0.340522469,0.23835841,0.159768465,0.112726381,0.082166802,0.051329754,20.51561576,12.8788705,8.820350186,6.058400335,3.607930033,2.389248956,1.384903683,0.654222181,0.683853859,0.444098983,0.275635943,0.183587889,0.112747814,0.072401484,0.046163456,0.026168887,42.40489151,78.51857247,74.53333333,75.6,47.88482036,615.0671557,0.530061144,0.981482156,0.931666667,0.945,0.598560254,7.688339446,7.6264,125.466,260.9912547,412.5815194,521.9825095,17.39941698,260.9912547,0,0,0,297.7276353,9.924254511,17.08853728,1020,0,0,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,24,2,0,0,0,0,0,0,0,0,0,0,4,0,18,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,34.61139562,-0.088862812,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.56100207,1.07617284,0,0,0,0,0,0,0,0,0,0,8.731972904,0,17.70884856,0,0,0,1.036645731,0,0,-0.088862812,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.72614993,10.88524569,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.442622846,-0.044431406,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.247556008,0.53808642,0,0,0,0,0,0,0,0,0,0,2.170017324,0,0.534885394,0,0,0,0.518322866,0,0,-0.044431406,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.86307496,5.442622846,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.86307496,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.570952498,0.53808642,0,0,0,0,0,0,0,0,0,0,2.195969128,0,1.214282165,0,0,0,0.518322866,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.86307496,5.442622846,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,62,2.066666667,0.570952498,11.86307496,-0.112516458,-0.044431406,12.76098139,1.711098073,4.863074964,28.68673705,1.711098073,4.863074964,28.68673705,14.33332,0.47778,0,0.02222,0.48833,0.80222,0.43043,0.48833,0.80222,0.0579,0,-0.0579,0,0.59557,0.11872,0,0.18605,0.13954,0,19,0.63333,16,0.53333,3,0.1,-13,-0.43333,0,0,42.16081,1.40536,51.98252,9.8217,0.32739,12.46983,0.41566,14.56558,2.09576,0.06986,0.34842,0.01161,0.34842,0.01161,0,29.04,4,4,4,4,0,0,0.923076923,1.166875068,1.878230865,3.251609497,3.98418372,4.312814895,4.312814895,93.35000543,150.2584692,260.1287598,318.7346976,345.0251916,345.0251916,0.184575821,0.29709779,0.51433826,0.630216551,0.682199296,0.682199296,5.155053027,4.44369723,3.070318598,2.337744375,2.009113199,2.009113199,0.18405405,0.296257934,0.512884295,0.628435013,0.68027081,0.68027081,10.20735936,18.94337466,23.52937892,25.9165118,26.24771453,26.24771453,110.3142927,73.98414258,58.32938285,45.94410823,42.54096287,42.54096287,30,22.203125,19.43801653,30,3,10,3.88,3.9208,0.434457697,8.515200108,1.953412269,0,24.36372676,12.95142691,0,0.802283983,0,0,0.090909091,0.852802865,0.090909091,0,0,0,0,0,0,0.003,0.799,0.788,0.911,0.09,13.472,32,33,32,33,30,25,24,21,20,309,3.465735903,3.610917913,3.63758616,3.610917913,3.688879454,3.610917913,3.401197382,3.36729583,3.17805383,3.135494216,5.85220248,1.122977346,0.47826087,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23,0.793103448,27,0.931034483,2,12,23,0.916666667,4.5,2,0.875,0.88,0.611111111,0.285714286,0.21875,0.12345679,0.08,0.099173554,0.155172414,0.0625,0.026515152,0.0275,0.018518519,0.00952381,0.00875,0.005144033,0.003809524,0.004958678,0.349827211,260.9912547,412.5815194,521.9825095,17.39941698,260.9912547,0,0,0,297.7276353,9.924254511,17.08853728,52.6,488.1400484,5.906890596,4.812184355,5.533389489,6.282266747,7.021976423,7.775275846,8.521384396,9.276408972,10.02557243,10.78139082,129.0298495,4.077537444,0,5.231108617,0,6.535241271,0,7.906547232,0,9.31551087,9.601368432,426.3709101,5.329636376,58.14745365,1.938248455,11.0119216,11.0119216,0,3785,33,9.632,122,1.24743038,2.150186275,2.885881404,3.609533583,4.610897232,5.606149544,6.623748865,7.673391897,9.06789677,10.18319859,91.65157979,97.73202412,101.5242259,130.030765,165.473716,202.3532235,201.853828,242.7436044,269.2136044,287.0923051,298.7210117,355.5299831,386.9297767,492.965042,614.7805185,770.3469721,824.443073,980.4083733,1148.349031,1235.821165,9.357586954,15.9098688,21.02799138,26.72679698,34.15088842,41.85355746,49.10627364,56.0419326,66.41765426,73.48187382,2.153904537,2.781307105,3.122951412,3.93014662,4.880687881,6.122755917,6.729802991,8.049990915,9.522686963,10.4246948,179.3670628,333.1468638,469.0903302,585.480653,755.2297943,906.6379573,1092.210093,1253.842411,1480.069391,1669.938565,2.912543249,4.714332372,5.488329367,7.468319787,9.761095627,13.18279453,14.46008294,15.8279726,18.42786997,18.5317186,0.466254968,0.617548876,0.704826318,0.900895761,1.125050342,1.415782789,1.551444018,1.822046896,2.149703422,2.330130086,910.5575457,1979.571765,28.36432221,267.7829028,-582.1658126,-31.6002185,642.7746429,2561.737578,59.96454071,0.772745726,1.679965894,0.024071415,0.227254274,-0.494055698,-0.026817562,1072.946787,2332.609481,33.42282815,315.5394258,-685.9895247,-37.23581565,0.120264958,0.145042106,0.677008564,0.594811369,1092.613789,85.7266595,0.92724797,0.07275203,2103.192718,45.86057913,12.81227809,2587.544523,50.8679125,13.72869564,4301.652875,65.58698708,16.26341661,4.917530857,4.917530857,30073.89501,29889.56416,472.0058794,1.006167064,63.71508559,63.324559,10.52371053,15.21610739,29.21100642,0.919742393,13.97148037,23.59667165,12.68950445,95.03261348,35.19872,20.83375713,30.58653829,33.08618847,62.45984737,13.65311182,20.43896808,42.40016775,19.03136478,31.50032722,6.587691063,37.95878114,18.13607402,16.78005293,16.6329072,5.719159197,62.11524032,10.50625746,17.93165525,6.318721894,6.532451332,61.55367092,11.49798013,24.67032626,2.78864114,6.580588252,1.205544529,23.12063299,1.088785483,29.34604641,1.641271039,6.717915363,7.409316092,2.829041258,15.07181804,1.833320119,10.22548786,5.709366716,1.560756576,7.491605445,0.488307793,15.15519245,2.317208714,2.70355531,3.542535746,0.145250674,14.95341111,1.600125368,3.705115816,1.513198995,0.302068064,12.12015289,0.464825802,10.80429005,0.094174698,0.849350267,3.796809849,22.61046142,2.882097254,33.27174859,3.922857298,8.464297633,9.196282189,6.244279037,19.38153143,3.194861902,10.76417601,9.839239517,3.31896665,9.664714264,1.044459792,18.27109116,3.592937173,4.479331225,4.675726586,0.689441788,21.82609851,2.086418777,5.588270774,2.070736976,1.087913332,19.21789204,1.766036038,10.59200543,0.390633213,1.493961272,13.19816794,23.81238787,13.13815282,91.520019,32.34001799,20.01383376,31.39453919,31.01468942,62.60344893,13.16953204,20.02250819,40.37947809,17.86513153,31.33770219,7.303846176,37.01125254,17.60016322,15.85886077,16.47531135,5.16794579,59.4620663,10.10150755,16.75835781,6.022335153,6.092640181,58.7515033,10.63477619,26.20856542,2.541085329,6.774771232,5.580635681,22.4642629,3.941546935,38.32583731,6.656498829,9.978039287,10.84477315,9.239483611,23.03813141,4.287289971,11.63094191,13.56887518,4.925447749,11.67922474,1.292744387,20.88681877,4.936351249,5.941421305,5.754630422,1.239252905,27.35221658,2.922031197,7.194499163,2.613413791,1.742943972,24.92477848,2.903931317,11.01345106,0.667774423,1.934393635,16.87263214,24.14675797,16.64419968,124.5117434,50.74683412,25.62663565,39.79990376,44.74722822,81.82254787,18.28473537,24.42356111,55.52635317,26.2235925,40.72122085,9.492508531,44.63100715,24.47339022,21.93096528,21.79805137,7.998473994,76.31512988,14.08172022,22.83420834,7.966557888,8.805329884,76.84796562,15.66457259,31.14736846,3.834393578,8.82767722,9.171425057,22.86209943,10.78307016,75.47673628,19.51338631,15.48471812,32.19721893,22.35744151,59.50548113,11.95586478,16.30022307,34.01603778,11.67098313,33.0759555,6.717598249,29.59869687,17.18302992,11.54014472,17.75827783,2.662120259,42.22322835,14.11391998,10.93327648,5.607176875,4.081154045,47.41082048,5.965755162,30.75579709,1.411077031,7.330091923,78.2858957,1.225859336,0.755616541,0.975314056,0.0152722,0.601507821,0.386811372,0.420003933,80.26737158,156.0478934,308.8298924,0.962971083,1.408323126,69.76818695,0.769561395,0.337279083,0.984383209,0.010858005,0.477786155,0.164719382,0.07038336,70.87502743,77.48181036,166.4656564,0.976574814,0.712888897,74.73238633,0.924493484,0.489813216,0.981426551,0.012140954,0.548106197,0.220359827,0.171575454,76.14669303,106.1473439,216.1350382,0.972139827,0.940041479,77.39978927,1.209470685,0.744723651,0.975373708,0.015241461,0.587964201,0.380077313,0.400820749,79.35398361,152.1549513,301.2245833,0.963060563,1.368862263,76.67042356,1.011578886,0.561636574,0.979893376,0.012928577,0.576906934,0.260324803,0.232801241,78.24363902,121.1872354,242.9903858,0.969840063,1.070032977,78.52546854,1.264396047,0.790851838,0.974494544,0.01569105,0.605201326,0.412585814,0.459311032,80.58071643,162.3892531,321.4915069,0.961741817,1.477098171,77.58654343,1.221563873,0.7523454,0.975189818,0.015353908,0.590813143,0.388688484,0.407938133,79.56045271,154.0678355,304.9332668,0.962784728,1.38743976 +UMLPP0010,L,2-Ethylhexyl Dodecanedioate,CCCCC(CC)COC(=O)CCCCCCCCCCC(=O)OCC(CCCC)CC,UML,,-57,0,-4.0172,16.13789584,109.9726,88.494822,0,0,86,32,54,0,28,0,4,0,0,0,0,0,0,0,5118.134848,5413.369711,6650.87537,6941.206915,6931.96641,6961.256035,6627.181144,5671.923051,5259.46037,14402.55856,18600.07684,25368.57429,28185.43855,28290.41724,27753.07044,26946.04352,24927.46939,22769.20174,627.338368,633.068332,1204.89308,1658.080924,1717.579896,1694.254876,1595.00344,1608.094236,1430.756984,104.6711129,137.8899327,202.873698,234.4897692,233.9322347,228.253369,221.2406282,210.3225777,193.5459702,14277.60032,12358.53645,25639.23726,37527.65291,38576.62092,38281.69571,35364.34978,36422.54087,32784.9646,246.6111111,190.4166667,340.8333333,417.8611111,463.3333333,459.75,480.1666667,455.0833333,379.5,59.51319591,63.68670248,40.55411811,30.31094723,29.62378808,30.13530751,30.68139419,25.89919201,26.56293116,167.4716111,218.8244334,154.6864286,123.0805177,120.899219,120.1431621,124.7502015,113.8240611,114.9959684,7.294632186,7.447862729,7.346909024,7.240528052,7.340085026,7.334436693,7.384275185,7.342896055,7.226045374,1.217105964,1.622234503,1.237034744,1.023972791,0.999710405,0.988109823,1.024262168,0.960377067,0.9775049,166.0186084,145.3945465,156.3368125,163.8762136,164.8573544,165.7216265,163.7238416,166.312972,165.5806293,2.867571059,2.240196078,2.078252033,1.824721009,1.98005698,1.99025974,2.222993827,2.078006088,1.916666667,0.596117031,-0.32614611,0.060440194,0.019823611,-0.068287715,0.008870664,0.046633042,-0.069149458,0.057376701,2713.660084,8.421883513,-465.1245005,241.3318018,-241.3621682,201.4681626,-624.8130732,-597.2973953,43.59787053,4212.505917,-207.7757582,-1322.563604,56.67458848,-193.848156,584.0700074,-832.940591,-246.9750573,155.2385551,4.323405395,0.095942202,1.668574455,-0.008219762,-0.978146773,-0.861525376,-1.14259476,-1.545527228,-0.386194747,18.72146149,-1.612920638,-6.201553469,-1.103906141,-0.670366787,2.675416948,-3.342261755,0.7849574,0.663066628,103.3565273,-9.929561601,-33.33820676,-8.433001258,-3.749047898,14.20583849,-17.97791356,6.917602737,3.353555568,81.94832041,0.777176852,22.0197404,-1.122078,-16.18496485,-9.830178475,-15.36632414,-29.17072291,-3.822877231,0.006931593,-0.003837013,3.69E-04,8.66E-05,-2.92E-04,3.84E-05,2.16E-04,-3.16E-04,2.90E-04,31.55418702,0.099080983,-2.836125003,1.053850663,-1.031462257,0.872156548,-2.892653116,-2.727385367,0.220191265,48.98262694,-2.444420685,-8.06441222,0.247487286,-0.828410923,2.52844159,-3.85620644,-1.127739988,0.784033106,0.050272156,0.001128732,0.010174234,-3.59E-05,-0.004180114,-0.003729547,-0.005289791,-0.007057202,-0.001950479,0.217691413,-0.018975537,-0.03781435,-0.004820551,-0.002864815,0.011581892,-0.015473434,0.00358428,0.003348821,1.201820085,-0.116818372,-0.203281749,-0.036825333,-0.016021572,0.061497136,-0.083231081,0.031587227,0.016937149,0.952887447,0.009143257,0.13426671,-0.004899904,-0.069166516,-0.042554885,-0.07114039,-0.133199648,-0.019307461,-0.553554262,0.053167829,0.012488613,-0.04210112,0.005540017,0.031146333,-0.045552434,0.041805874,0.003140026,-0.089881099,0.033398124,-0.032688602,0.027639963,-0.09167256,-0.086434975,0.006978195,-0.04990383,-0.164638214,0.005052552,-0.016912342,0.05161915,-0.078726003,-0.023023265,0.016006351,0.022452425,0.202383095,-7.14E-04,-0.083149695,-0.074187133,-0.10522307,-0.140379935,-0.038798386,-0.087167136,-0.173706211,-0.022143964,-0.013159983,0.053203254,-0.071079671,0.01646496,0.015383342,-0.097201214,-0.169144909,-0.030641303,-0.01333109,0.051170002,-0.069254194,0.026282825,0.014092916,0.009595317,0.140905109,-0.005142164,-0.07258624,-0.044658879,-0.074657705,-0.13978529,-0.020262058,1.617917813,0.957816999,0.983974865,1.298775981,1.382457538,1.387442416,1.302653198,0.956615365,1.222148159,1.181732151,0.959433288,1.073137536,1.004993181,1.162565664,1.119796979,0.96779671,1.467484274,1.335099034,1.004106886,0.999217318,0.913868973,1.082485428,0.972973156,0.956315403,0.72020172,0.700550436,0.935794128,1.387607122,1.395535641,1.503241049,1.526474403,1.009372325,1.572191771,1.373113008,1.034281231,0.994427307,0.908436933,1.077296249,0.927732758,0.954379998,1.589484496,1.372110748,1.042211587,1.000735328,0.916416579,1.084129938,0.924883503,0.954846909,0.579972567,0.498240179,0.808502947,1.203340156,1.18840956,1.68271231,1.729521166,1.195706155,572.9320534,286.9660267,457.8578949,573.8695534,17.93342354,286.9660267,1,1.39E-15,4.34E-17,-109.4754302,328.3905342,10.26220419,18.54145137,573.0140603,287.0055613,457.9173472,573.9488062,17.93590019,287.0055613,0.997062316,1.78E-15,5.55E-17,-108.6854779,328.4204369,10.26313865,18.54174274,645.5032736,321.9536478,510.8303718,644.0070443,20.12522013,321.9536478,-1.595977912,5.27E-16,1.65E-17,-112.571699,356.0067877,11.12521211,18.79983935,573.1001273,287.0470533,457.9797441,574.0319828,17.93849946,287.0470533,0.993979201,9.99E-16,3.12E-17,-110.5266432,328.4518235,10.26411948,18.54204855,722.0872046,358.8790138,567.3911383,718.0286011,22.43839379,358.8790138,-4.329177057,8.33E-17,2.60E-18,-118.4783445,387.2399875,12.10124961,19.0689428,581.516641,291.1045889,464.0868249,582.1658942,18.19268419,291.1045889,0.692536744,1.36E-15,4.25E-17,-109.5400788,331.5380893,10.36056529,18.57197665,589.6063023,295.0697265,472.0284991,591.1978414,18.47493254,295.0697265,2.314965986,4.16E-16,1.30E-17,-113.3281431,314.6725844,9.833518262,18.40490459,0,11.89,15.99794288,-0.31632467,0.262678288,4.457505648,9.018833414,31,85,83,83,29,2,2,0,0,2,64.781178,3.621236681,3.611041082,3.523937904,3.470501299,3.36947615,3.222646468,3.189987477,3.124831917,1.938934077,1.926006217,1.920031261,1.822486744,1.724177696,1.720549633,1.649979275,1.473226087,3.592597288,3.580990742,3.548393518,3.457639931,3.311360007,3.240427905,3.219244467,3.069364827,1.895691398,1.882834896,1.864119649,1.779541416,1.669382609,1.650639065,1.611558531,1.459032428,3.72959603,3.717345015,3.669110507,3.598979809,3.486714548,3.403795537,3.378242402,3.270525364,1.719631057,1.707727148,1.690643753,1.590915376,1.447634177,1.42525435,1.394100594,1.204803736,3.602015338,3.591072666,3.567715082,3.466359896,3.30885853,3.263571523,3.241854349,3.059204396,1.874106803,1.861497929,1.827939848,1.754969643,1.650412811,1.606663745,1.577614672,1.454310987,3.769804083,3.757076257,3.726289492,3.645082708,3.523090351,3.474931893,3.448310939,3.308809141,1.674185968,1.662188509,1.637298039,1.543628282,1.400342366,1.356584917,1.332197236,1.164912662,5.129787958,5.129786702,3.637981442,3.637406086,3.563631058,3.411814907,3.390046732,3.37395145,1.807301414,1.798415798,1.793622807,1.666997625,1.494640653,1.490051964,1.45284477,1.203268166,0,0,2,0,0,6,18,2,0,0,0,0,0,0,0,0,0,0,0,0.98559856,0,0,0,0.526099421,0,0,0,1.802095141,1.965317756,2.029869742,1.030256758,1.026614063,0.912182184,23.86575026,15.56561057,11.6038258,8.365827515,5.466144256,3.969970567,2.641780762,1.408243842,0.745804696,0.50211647,0.341288994,0.239023643,0.160768949,0.11342773,0.082555649,0.052157179,21.92982932,13.8788705,9.527456967,6.558400335,3.961483423,2.639248956,1.561680378,0.779222181,0.685307166,0.4477055,0.280219323,0.187382867,0.116514218,0.075407113,0.048802512,0.028860081,45.48854712,84.29424618,79.98431373,81.12,51.48192934,661.1236659,0.528936594,0.980165653,0.93005016,0.943255814,0.598627085,7.687484487,8.4066,134.7,302.2277855,480.0065115,604.4555709,18.88923659,302.2277855,1.03E-15,3.21E-17,-110.4389665,338.7873329,10.58710415,18.64119224,1188,0,0,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26,2,0,0,0,0,0,0,0,0,0,0,4,0,20,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,34.69460209,-0.051008235,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.999992489,1.060382231,0,0,0,0,0,0,0,0,0,0,8.758291285,0,20.54291479,0,0,0,1.055200074,0,0,-0.051008235,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.77343581,10.92116628,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.460583142,-0.025504117,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.246064033,0.530191116,0,0,0,0,0,0,0,0,0,0,2.177549422,0,0.559183007,0,0,0,0.527600037,0,0,-0.025504117,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.8867179,5.460583142,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.8867179,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.567178288,0.530191116,0,0,0,0,0,0,0,0,0,0,2.201596221,0,1.220879139,0,0,0,0.527600037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.8867179,5.460583142,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,65,2.03125,0.567178288,11.8867179,-0.118872305,-0.025504117,14.14091895,1.692170784,4.886717903,28.90578675,1.692170784,4.886717903,28.90578675,15.33332,0.47917,0,0.02083,0.4845,0.79583,0.43061,0.4845,0.79583,0.05388,0,-0.05388,0,0.60209,0.1122,0,0.17391,0.13043,0,20,0.625,17,0.53125,3,0.09375,-14,-0.4375,0,0,46.14004,1.44188,56.09285,9.95281,0.31103,13.46983,0.42093,15.56558,2.09576,0.06549,0.34842,0.01089,0.34842,0.01089,0,31.04,4,4,4,4,0,0,0.928571429,1.154522162,1.835986556,3.167673697,3.903382349,4.312908871,4.441043174,99.28890597,157.8948438,272.4199379,335.690882,370.9101629,381.929713,0.1796568,0.285700423,0.492926112,0.607410758,0.67113775,0.691076908,5.271742592,4.590278199,3.258591058,2.522882406,2.113355883,1.985221581,0.179191726,0.284960835,0.491650082,0.605838364,0.669400387,0.689287928,10.0428218,18.4062045,22.91568422,25.40944386,26.52641228,26.65554924,117.9029048,81.13491289,64.87680233,51.17075887,44.2316496,42.84738978,32,24.1349481,21.30612245,32,3,12,4.1,4.2026,0.408788187,8.687848952,1.843654577,0,0,13.02577399,0,0.721818296,0,0,0.076923077,0.784464541,0.076923077,0,0,0,0,0,0,0.003,0.799,0.788,0.911,0.09,14.47,34,35,34,35,32,27,26,23,22,331,3.526360525,3.663561646,3.688879454,3.663561646,3.737669618,3.663561646,3.465735903,3.433987204,3.258096538,3.218875825,5.913503006,1.114803625,0.48,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,25,0.806451613,29,0.935483871,2,13,25,0.923076923,4.5,2,0.875,0.88,0.611111111,0.285714286,0.21875,0.12345679,0.1,0.082644628,0.14516129,0.058823529,0.025,0.025882353,0.017460317,0.008928571,0.008101852,0.004748338,0.004347826,0.003756574,0.330066097,302.2277855,480.0065115,604.4555709,18.88923659,302.2277855,1.03E-15,3.21E-17,-110.4389665,338.7873329,10.58710415,18.64119224,52.6,522.7320176,6,4.875197323,5.59471138,6.340359304,7.077498054,7.827639546,8.571113033,9.323222529,10.06989143,10.82307285,133.5027054,4.143134726,0,5.293304825,0,6.591673732,0,7.956827122,0,9.359880439,9.647756241,454.4022102,5.28374663,62.14745093,1.942107842,11.01202325,11.01202325,0,4678,35,10.77,130,1.247588235,2.150972878,2.885243389,3.610765113,4.638224262,5.637691766,6.679790476,7.741082119,9.132367386,10.25235674,90.98593026,96.25768338,99.62479452,127.9678303,162.7183318,198.5491728,200.3748584,239.8287836,266.1338337,284.938276,298.8211744,355.1684742,384.6461704,492.209409,614.9952167,768.7956226,829.752018,984.5265294,1149.879217,1242.369012,9.340064456,15.87513125,20.96036439,26.63590106,34.20241218,41.86877643,49.27998434,56.31453304,66.58580938,73.75485333,2.160128789,2.789853583,3.120196652,3.945944974,4.917803635,6.156397006,6.815281355,8.134083629,9.591600909,10.52587688,179.26959,332.8877996,469.0748521,585.0543329,759.10062,911.6782453,1100.069271,1264.116451,1490.29832,1680.009522,2.866146078,4.618221959,5.372567967,7.296465942,9.543328672,12.78903291,14.10969917,15.45940454,17.94220467,18.04287263,0.466070559,0.617041943,0.701087062,0.899144452,1.126277595,1.413604735,1.560094513,1.830390984,2.152855709,2.341317784,987.2522654,2251.320164,30.9003044,282.8059171,-644.9077767,-32.52621376,704.4463484,2896.227941,63.42651816,0.777328377,1.772611834,0.024329834,0.222671623,-0.507778136,-0.025610019,1253.867818,2859.307596,39.24518445,359.179969,-819.0703987,-41.31018393,0.114655221,0.138276643,0.645429621,0.5670665,1183.711991,86.34619139,0.932013988,0.067986012,2227.355857,47.19487109,13.05959983,2750.455805,52.44478816,14.01097066,4538.37957,67.36749639,16.5564392,5.265761341,5.265761341,38623.22298,38433.95798,486.1603652,1.004924421,79.44543765,79.05613195,11.13756392,16.48691304,31.69190626,0.92224622,15.08708258,25.49370627,13.28216946,104.978369,39.14841929,20.83378841,32.17516444,33.36224342,71.18864445,13.71473533,20.43978024,51.49862014,19.25244195,43.43040044,6.587827424,37.96286218,24.27500398,16.78005658,30.01166484,5.719162557,62.35349589,15.1638772,18.04118166,13.35844223,6.867246314,71.19931141,12.31781207,23.386724,5.139031965,7.162807856,1.299169292,25.0175834,1.133019347,31.37283161,1.669403727,6.717946388,7.654434226,2.830986247,17.22972235,1.833754193,10.22630001,6.334093156,1.562313641,9.790877373,0.488308754,15.15927043,2.521462111,2.70355543,5.738735717,0.145250696,14.94883485,1.563456759,3.605512276,3.830982182,0.266792503,13.59969597,2.35360682,5.178572072,1.018111236,0.423465209,4.099041998,24.50741761,3.028516567,35.8341585,4.213551234,8.464328676,9.71560863,6.264541734,22.37074646,3.199384858,10.76498816,11.92235087,3.335192465,13.43920415,1.044469802,18.27516976,4.451245056,4.4793316,8.56648909,0.689442034,21.84638898,2.754068415,5.5674628,4.72847838,1.065188759,21.68488387,2.300483561,7.425887245,1.516233174,1.377723085,14.25120543,25.7094133,13.69379014,100.5986275,35.85934559,20.01386501,32.90090602,31.2606499,70.74957775,13.22443751,20.02332035,48.86320403,18.0621073,42.50461464,7.303967672,37.01533339,23.17860828,15.85886434,28.98290949,5.167948779,59.76837001,14.77616937,16.81285827,13.6264735,6.268989657,67.94218499,12.14306238,21.87957355,4.832835279,6.845033582,6.02607026,24.36122645,4.161011611,41.57685046,7.287150661,9.978070351,11.552344,9.283495148,26.74942947,4.297114304,11.63175407,16.73367165,4.960692385,16.61208487,1.292766128,20.8908978,6.409132674,5.941421918,10.97781697,1.23925344,27.37303688,3.88795097,7.206773514,5.500598315,1.776241665,28.24196047,3.14550439,9.429066285,1.975511788,2.096259507,18.21988338,26.0438312,17.37788235,138.1022876,56.5060731,25.62666705,41.69311134,45.1498261,92.91353723,18.37460728,24.42437327,67.00982877,26.54601277,55.67401066,9.492707399,44.63508888,32.91141327,21.93097061,38.72348785,7.998478893,76.67755132,20.70487837,22.99404433,16.83487637,9.302800071,89.34102614,16.81767912,29.88027613,6.584850257,9.473879045,9.913332218,24.75070744,11.20411835,81.03900265,21.25037578,15.59322054,33.4247856,22.6258533,65.03507272,12.06457351,16.41514993,39.38285431,11.8422682,40.34785056,6.764711809,29.80976008,20.20577624,11.62098971,25.73262081,2.680770369,42.84354169,14.53981481,10.65412958,17.34767873,3.35791752,47.43482769,25.85222457,14.82095381,3.860630466,5.471432621,92.3360638,1.188930827,0.752218336,0.979410198,0.012611009,0.599514867,0.386805075,0.411741682,94.27721297,180.1324086,356.9890477,0.969115297,1.398061624,84.25738724,0.743082468,0.326614694,0.987463568,0.008708635,0.49928492,0.161673437,0.066578787,85.32708441,90.37258961,196.1490811,0.981195353,0.727537145,88.83826687,0.892297743,0.484008943,0.984744076,0.009890838,0.55494059,0.217860275,0.1660789,90.21457355,122.7005808,251.2826328,0.977116114,0.938879766,91.54695618,1.175013557,0.740410889,0.979505931,0.012572048,0.589311925,0.381353868,0.392039524,93.46238063,176.2212706,349.3288469,0.969258897,1.362705317,90.64039593,0.975767849,0.557890122,0.983361283,0.010586144,0.577677555,0.257252097,0.227417341,92.1740539,139.555737,281.0718161,0.975041925,1.062346993,92.59717817,1.227442568,0.78745917,0.978703547,0.012973423,0.602914699,0.413414287,0.450393009,94.61207991,187.5407761,371.6536685,0.96805532,1.466721995,91.73452576,1.18673378,0.747558444,0.979349668,0.012669465,0.591735817,0.389974963,0.398575929,93.66881798,178.3285327,353.3798974,0.969024501,1.380286708 +UMLPP0011,L,Iso-decyl Adipate,CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C,UML,,-62,0,-1.8884,3.56605456,103.4846,82.30765,0,0,80,30,50,0,26,0,4,0,0,0,0,0,0,0,4825.54235,5076.413117,6263.458296,5975.669493,5720.489084,5505.443203,5308.686474,5434.886586,4842.713944,13431.18977,17294.09657,23541.48007,25447.46104,24075.7202,22509.41445,21502.61611,20501.15216,19540.52679,585.38348,589.516772,1119.434064,1531.936596,1569.330992,1385.51374,1322.62884,1260.130824,1203.307936,97.31486124,127.8579555,187.4983177,214.1625817,203.699077,186.6745159,177.652987,170.5902991,163.3428659,13284.341,11492.45755,23790.83286,34558.90046,36051.40019,31243.9273,29764.97214,28411.92976,27417.41903,238.1111111,179.5833333,325,397.4166667,411.1666667,380.9444444,371,404.75,315.5,60.31927938,64.25839389,41.20696247,28.3207085,26.48374576,29.12932912,29.49270263,31.59817783,29.17297557,167.8898722,218.9126148,154.8781584,120.6040807,111.4616676,119.097431,119.4589784,119.1927451,117.7140168,7.3172935,7.46223762,7.364697789,7.260363014,7.265421259,7.330760529,7.347938,7.326342,7.248842988,1.216435766,1.618455133,1.233541564,1.014988539,0.943051282,0.987695851,0.986961039,0.991804065,0.983993168,166.0542625,145.4741462,156.5186372,163.7862581,166.9046305,165.3117846,165.3609563,165.1856381,165.1651748,2.976388889,2.273206751,2.138157895,1.883491311,1.903549383,2.015579071,2.061111111,2.353197674,1.90060241,0.585981332,-0.323348791,0.093213127,-0.028613326,0.023709461,0.014038109,-0.3775141,0.387778718,-0.02441646,2549.823236,8.670868224,-382.2749265,-340.5800224,229.2165485,-111.4614473,-115.3564455,423.8494417,280.0707799,3911.721896,-207.0559283,-1169.235799,-671.6791528,490.8853939,-22.06537779,-23.05567328,49.89296859,158.3971959,4.2767982,0.089757877,1.66588002,-0.426916753,-0.54968254,-0.765365848,-0.78953055,3.48425567,0.017521735,17.37954816,-1.613264021,-5.532009035,-3.387328052,1.989705236,-0.003954366,-0.003977397,0.155991871,-0.536494848,96.06497285,-9.940801852,-29.73872892,-19.25919368,10.15336199,-0.217573641,-0.221342941,2.394238625,-5.141925051,81.31111111,0.29,24.65333333,-8.023333333,-11.07333333,-14.41555556,-12.13333333,55.40333333,-3.14,0.007324767,-0.004093023,6.13E-04,-1.36E-04,1.10E-04,7.43E-05,-0.002097301,0.002254527,-1.47E-04,31.87279045,0.109757826,-2.514966621,-1.614123329,1.061187724,-0.589743107,-0.640869142,2.46424094,1.687173373,48.8965237,-2.620961118,-7.692340782,-3.18331352,2.272617564,-0.116748031,-0.128087074,0.290075399,0.954199975,0.053459978,0.001136176,0.010959737,-0.002023302,-0.002544827,-0.004049555,-0.004386281,0.0202573,1.06E-04,0.217244352,-0.020421064,-0.036394796,-0.016053687,0.009211598,-2.09E-05,-2.21E-05,9.07E-04,-0.003231897,1.200812161,-0.125832935,-0.195649532,-0.091275799,0.047006305,-0.001151183,-0.001229683,0.013919992,-0.030975452,1.016388889,0.003670886,0.162192982,-0.038025276,-0.051265432,-0.076272781,-0.067407407,0.322112403,-0.018915663,-0.558792227,0.083722019,-0.018513652,0.0149856,0.010140352,-0.286330017,0.30779512,-0.020080791,0.003443621,-0.078906383,-0.050642674,0.033294472,-0.018503027,-0.020107092,0.077314879,0.052934599,-0.053602197,-0.157318766,-0.065103064,0.046478101,-0.002387655,-0.002619554,0.005932434,0.019514679,0.021252827,0.20500826,-0.037847044,-0.047602462,-0.075749279,-0.082047936,0.378924597,0.001974423,-0.094000435,-0.167529309,-0.073896915,0.042402015,-9.63E-05,-1.02E-04,0.004174698,-0.014876781,-0.104789857,-0.162931005,-0.076011721,0.039145428,-9.59E-04,-0.001024043,0.011592148,-0.025795418,0.003611694,0.159577682,-0.037412133,-0.050438796,-0.075042911,-0.066320488,0.316918462,-0.018610655,1.61263677,0.931696748,1.031598959,1.047255656,1.192290924,1.48549624,0.759196032,1.082270264,1.205715994,1.16245898,1.042848722,0.944254806,1.039455943,1.049751713,0.930924256,0.925316919,1.465219541,1.322117363,1.073862999,0.896216587,0.976135276,0.974424174,0.972464034,0.961217042,0.716959711,0.69862976,0.978703304,1.132723701,1.289905644,1.349533412,0.750722922,0.956065037,1.57776709,1.362866715,1.086312666,0.892499856,0.971589521,0.969338166,0.972668567,0.993969464,1.596313077,1.362060791,1.088099884,0.896405284,0.976888887,0.975780322,0.96800127,1.003901516,0.582467887,0.48010673,0.855693745,1.130507728,1.289295728,1.335768349,0.810275078,0.971576934,533.189248,267.094624,417.5595317,534.1225813,17.80408604,267.094624,1,1.44E-15,4.81E-17,-102.5155536,316.6173759,10.55391253,17.27308209,533.2740967,267.1355795,417.62839,534.2046882,17.80682294,267.1355795,0.997062316,9.44E-16,3.15E-17,-103.7902032,316.6493879,10.5549796,17.27338539,608.3616347,303.3828284,478.7937302,606.8720553,20.22906851,303.3828284,-1.595977912,1.72E-15,5.74E-17,-101.9878816,346.4884247,11.54961416,17.54354824,533.3631466,267.1785629,417.7006585,534.2908605,17.80969535,267.1785629,0.993979201,2.22E-15,7.40E-17,-101.2232049,316.68299,10.55609967,17.27370373,687.8424395,341.7566312,543.9021111,683.8018742,22.79339581,341.7566312,-4.329177057,9.44E-16,3.15E-17,-103.7902032,380.2425537,12.67475179,17.82242804,542.0726371,271.3825869,424.7724207,542.7190047,18.09063349,271.3825869,0.692536744,3.89E-16,1.30E-17,-106.4521128,319.9942377,10.66647459,17.30490897,540.8123386,270.686342,420.3856011,542.3797067,18.07932356,270.686342,2.313736264,7.77E-16,2.59E-17,-104.3726713,302.9654071,10.0988469,17.14085589,0,11.89,15.99794085,-0.316609246,0.26265366,4.342234375,7.643781117,29,79,77,77,27,2,2,0,0,2,60.40835,3.61056198,3.55248059,3.523923251,3.474904232,3.35802446,3.305893449,3.103073112,3.01939105,1.938147537,1.937532945,1.85444227,1.812323572,1.801140114,1.604977856,1.585270215,1.481215696,3.569555338,3.563104819,3.523310639,3.4173002,3.383205517,3.251437764,3.097246549,3.036560818,1.884919272,1.881494581,1.830778517,1.763568718,1.738423732,1.593774905,1.524533586,1.450068369,3.710813239,3.688768494,3.663077163,3.581871568,3.520540997,3.435687617,3.280001611,3.208319491,1.708191337,1.706172094,1.642209019,1.562260917,1.543203741,1.360136513,1.282276142,1.215759238,3.584735045,3.581930979,3.524975972,3.426812771,3.404380532,3.232531983,3.114510582,3.056250507,1.858623119,1.847220615,1.814992319,1.741849989,1.698461469,1.595470167,1.487572208,1.415730573,3.751804505,3.743728744,3.706811128,3.621604733,3.584192429,3.464659774,3.346057793,3.277880648,1.656710545,1.652714339,1.603218506,1.51021686,1.483331851,1.330982054,1.215535287,1.152708916,5.117624148,5.115505731,3.616995052,3.616473258,3.524723661,3.518811279,3.381694329,3.2895763,1.802381927,1.80206722,1.689882107,1.63879929,1.63310744,1.376039968,1.366482345,1.22801904,0,0,2,0,0,6,16,2,0,0,0,0,0,0,0,0,0,0,0,1.39384685,0,0,0,0.934347711,0,0,0,1.39384685,1.274273694,1.105171716,0.744016936,0.585024986,0.455341801,22.4515367,14.41359136,11.67983541,7.100642529,4.779257532,3.212778743,2.116469027,1.496569601,0.748384557,0.497020392,0.364994856,0.244849742,0.170687769,0.118991805,0.081402655,0.057560369,20.51561576,12.72685129,9.548625017,5.389525065,3.424977202,2.159609983,1.335997283,0.825275013,0.683853859,0.438856941,0.298394532,0.185845692,0.122320614,0.079985555,0.051384511,0.031741347,42.40489151,78.51857247,74.53333333,75.6,47.88482036,615.0671557,0.530061144,0.981482156,0.931666667,0.945,0.598560254,7.688339446,7.6264,125.466,282.6994561,442.7209716,565.3989121,18.8466304,282.6994561,8.88E-16,2.96E-17,-103.9720771,327.689493,10.9229831,17.37619948,1098,0,0,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,24,2,0,0,0,0,0,0,0,0,0,0,4,0,18,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,33.97408223,-0.276589118,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.248294176,1.17,0,0,0,0,0,0,0,0,0,0,9.05529163,0,17.66003497,0,0,0,1.587180293,0,0,-0.276589118,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.43123545,10.54284678,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.271423391,-0.138294559,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.229508701,0.585,0,0,0,0,0,0,0,0,0,0,2.263822907,0,0.400838862,0,0,0,0.793590147,0,0,-0.138294559,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.71561772,5.271423391,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.71561772,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.587586806,0.585,0,0,0,0,0,0,0,0,0,0,2.263822907,0,1.306643218,0,0,0,0.793590147,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.71561772,5.271423391,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,62,2.066666667,0.587586806,11.71561772,-0.036123611,-0.138294559,13.13757353,1.804961226,4.715617724,28.05874772,1.804961226,4.715617724,28.05874772,14.33332,0.47778,0,0.02222,0.48833,0.80222,0.43043,0.48833,0.80222,0.0579,0,-0.0579,0,0.59557,0.11872,0,0.18605,0.13954,0,19,0.63333,16,0.53333,3,0.1,-13,-0.43333,0,0,40.98737,1.36625,50.56463,9.57726,0.31924,12.29843,0.40995,14.41356,2.11513,0.0705,0.50044,0.01668,0.50044,0.01668,0,29.04,4,4,4,4,0,0,0.923076923,1.166875068,1.878230865,3.251609497,3.93418372,4.08418372,3.868453958,93.35000543,150.2584692,260.1287598,314.7346976,326.7346976,309.4763166,0.184575821,0.29709779,0.51433826,0.622307571,0.64603451,0.611910465,5.155053027,4.44369723,3.070318598,2.387744375,2.237744375,2.453474137,0.18405405,0.296257934,0.512884295,0.620548391,0.644208257,0.610180676,10.20735936,18.94337466,23.52937892,25.3165118,24.91807681,23.15910521,110.3142927,73.98414258,58.32938285,47.93726509,49.40165071,57.15402424,30,22.203125,25.17003567,30,3,9,3.88,3.9208,0.55699066,7.128479471,2.065591118,0,24.82910435,10.70839343,0,0.542722836,0,0,0.142857143,1.069044968,0.142857143,0,0,0,0,0,0,0.003,0.799,0.788,0.911,0.09,13.472,32,29,28,27,26,26,24,23,22,296,3.465735903,3.610917913,3.526360525,3.496507561,3.465735903,3.433987204,3.526360525,3.36729583,3.33220451,3.295836866,5.823045895,1.138513514,0.48,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23,0.793103448,27,0.931034483,2,13,25,0.923076923,4.5,1.555555556,0.875,0.56,0.333333333,0.326530612,0.21875,0.172839506,0.1,0.148760331,0.155172414,0.048611111,0.030172414,0.02,0.012345679,0.01255887,0.008413462,0.007201646,0.004347826,0.006761833,0.33646627,282.6994561,442.7209716,565.3989121,18.8466304,282.6994561,8.88E-16,2.96E-17,-103.9720771,327.689493,10.9229831,17.37619948,52.6,488.1400484,5.906890596,4.812184355,5.501258211,6.23636959,6.936342736,7.670894831,8.376320633,9.11018849,9.819290394,10.55270897,128.0155582,4.077537444,0,5.231108617,0,6.499787041,0,7.820439515,0,9.170455438,9.475546748,426.3709101,5.329636376,58.13442538,1.937814179,10.99026192,10.99026192,0,4067,29,10.054,122,1.24743038,2.150186275,2.887144929,3.605852125,4.820552262,5.859510943,7.072052901,8.175316712,9.395089317,10.54957758,91.65157979,97.73202412,94.56565501,118.876106,164.539123,201.6408326,251.3708809,268.8081799,317.065807,353.693504,298.7210117,355.5299831,378.3516768,464.5935874,635.5258311,774.7742099,913.9075345,1040.968466,1175.168958,1335.291953,9.357586954,15.9098688,21.0253248,26.38164504,35.55485267,43.31168533,52.09840813,59.57537962,69.76911926,79.59601334,2.153904537,2.781307105,3.097229947,3.779089483,5.116520061,6.224677115,7.429890199,8.504998637,9.428167619,10.53443533,179.3670628,333.1468638,469.2947494,590.0629358,786.8698882,955.4838044,1156.294527,1336.178405,1546.743647,1756.983598,2.906117089,4.762926753,5.543935859,7.081523708,10.02739538,12.41443697,17.09253342,15.99118699,20.92513404,23.92285114,0.466254968,0.617548876,0.6969145,0.859377026,1.171169442,1.429606182,1.69609134,1.936598778,2.217506279,2.490225608,978.5883747,2128.057392,31.83600602,225.3642107,-490.0814141,-31.6877532,753.224164,2618.138806,63.52375922,0.812813051,1.767559137,0.026442907,0.187186949,-0.407060394,-0.026319768,1178.174004,2562.080199,38.32904175,271.3278241,-590.0347856,-38.15055239,0.120227777,0.145133087,0.862068332,1.686356022,1104.257186,99.69539944,0.917193251,0.082806749,2103.192718,45.86057913,12.81227809,2587.544523,50.8679125,13.72869564,4046.683124,63.61354513,15.93552586,4.713625645,4.713625645,36619.72615,36404.3786,351.6931858,1.00591543,104.1240707,103.5117542,10.70035599,16.47492997,31.7144502,0.925012747,13.97147979,22.81375577,10.6941741,101.3778525,31.42571313,9.493348097,26.5703017,24.29093693,64.61405705,6.38262851,15.07094031,47.97234458,15.57253885,41.97279155,4.512471986,36.71093329,15.37246018,24.33401139,13.45955218,4.099626355,54.4163964,4.210392434,28.77739246,1.543114408,8.526243588,46.9264033,11.47421099,30.843104,0.954440178,11.79049999,1.205544524,23.11511454,0.882854422,27.06800159,1.355401041,3.555831089,4.234936938,1.460030707,16.70335261,0.250400102,9.746295591,5.601198457,3.128758972,10.00957975,0.145376419,12.54308509,2.810239621,6.747885395,4.865032538,0.413689107,12.78152116,1.580135932,8.402104526,0.51324785,1.550197288,8.782105695,0.389881246,8.193271874,0.051691358,3.182620503,3.796809807,22.55298874,2.344873554,32.05034224,3.384640591,3.822381829,6.851714245,3.919333449,21.14475575,0.995778677,9.468451432,10.45943818,3.349457293,13.07490723,0.622973488,16.24604926,4.337554048,6.967132406,4.794896031,0.913967984,18.58368021,1.168057728,9.506644846,0.421023092,2.210370901,14.37765463,1.63545223,9.64799161,0.185535562,4.268349049,13.19816743,23.11482095,11.02712381,96.90333877,28.43972091,9.093469454,27.08458053,23.18006392,64.45638423,5.828103657,15.01584298,45.43925436,15.08876314,41.2017448,4.09874245,35.47986329,15.7108473,25.27925593,14.28366147,4.168474546,52.68654155,4.612399431,30.03265731,1.757364965,8.582810275,44.7808084,10.43644247,31.59048367,0.881340916,11.10308162,5.580635588,22.33943517,3.226972088,37.99752694,5.92486467,4.301430177,8.757118807,5.998837785,24.95366687,1.657800205,9.721267426,14.81669993,4.443245557,16.0867365,1.073704605,19.20021063,5.330360863,7.691527347,5.091358929,1.24238229,23.25036669,1.104657981,10.66380154,0.399505751,2.711427045,18.77081401,2.792312399,11.12963701,0.292388047,5.212786665,16.87263129,23.00496281,14.12405458,134.4175969,45.32551577,12.07004321,34.68168383,33.46702327,83.98686061,8.639202762,17.63692913,63.1384622,21.1269016,54.04088982,6.210591125,43.42216185,20.32181714,32.93611314,17.46789103,5.427536614,67.22799507,5.817226445,37.5026212,2.140922247,11.5464977,58.82425661,15.72738849,40.36310738,1.245362847,14.81184027,9.171424824,22.42010471,8.773660614,78.28210265,15.64818601,6.953255038,24.36232698,19.16130908,61.23910714,3.332378112,13.02188554,35.75016966,26.99151575,39.46646164,2.11367306,28.29864001,18.5150602,26.15014388,17.62071402,4.678156021,41.74340342,9.767167194,33.31694765,3.875969998,9.378590585,35.46736258,5.426770551,31.77219554,0.501589682,7.231975667,100.3632095,1.070345131,0.573599102,0.98388403,0.010492844,0.606396953,0.45989684,0.436574045,102.0071537,165.6054684,329.2305147,0.975826045,1.502867838,85.22708132,0.66481372,0.159835084,0.990416825,0.007725745,0.437367557,0.182963233,0.036250949,86.05173012,70.38867126,165.4966785,0.985625237,0.656581738,94.78936725,0.777607926,0.322838621,0.988523843,0.00810939,0.540945373,0.243530269,0.141875702,95.8898138,104.5616737,224.2475876,0.982785765,0.926351343,98.5654616,1.06503297,0.555760844,0.983822194,0.01063053,0.584875078,0.457821134,0.415702016,100.1862554,160.346194,318.8737031,0.975733291,1.458398228,98.37023885,0.84776331,0.400538266,0.987469184,0.008510096,0.582567595,0.286846354,0.212725083,99.61854042,123.1352858,256.1565864,0.981203776,1.082139032,100.6112031,1.11121311,0.604452731,0.983233477,0.010859446,0.609395466,0.496357232,0.485287493,102.326869,173.2868803,343.1918595,0.974850215,1.591040191,98.95405735,1.078468151,0.55980925,0.983713695,0.010721176,0.589495861,0.469860247,0.422236742,100.5923348,162.7179323,323.052438,0.975570543,1.48159285 +UMLPP0012,L,Iso-decyl Azelate,CC(C)CCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCC(C)C,UML,,-65,0,-2.7524,7.57570576,112.2194,91.588408,0,0,89,33,56,0,29,0,4,0,0,0,0,0,0,0,5264.431097,5581.848008,6844.583907,6565.93968,6310.759271,6095.71339,5898.956661,5702.199932,5505.443203,14888.24295,19253.06697,26282.12141,28467.85607,27096.11523,25529.80949,24523.01114,23516.2128,22509.41445,648.315812,654.844112,1247.622588,1720.591296,1757.985692,1574.16844,1511.28354,1448.39864,1385.51374,108.3492387,142.9059214,210.5613882,241.2271683,230.7636636,213.7391024,204.7175736,195.6960447,186.6745159,14774.22998,12791.5759,26563.43946,38995.76593,40488.26565,35680.79276,34201.83761,32722.88245,31243.9273,250.8611111,195.3333333,352.75,434.1666667,447.9166667,417.6666667,405.4166667,393.1666667,380.2777778,59.1509112,63.430091,40.26225828,27.58798185,25.97020276,28.22089532,28.49737517,28.79898956,29.12932912,167.2836286,218.784852,154.6007142,119.6128406,111.506647,118.1935624,118.4686529,118.7687515,119.097431,7.284447326,7.441410364,7.3389564,7.229375193,7.234509021,7.287816852,7.300886667,7.315144646,7.330760529,1.217407176,1.623930925,1.238596401,1.013559531,0.949644706,0.989532882,0.988973785,0.988363862,0.987695851,166.0025841,145.3588171,156.2555262,163.847756,166.6183772,165.1888554,165.2262686,165.2670831,165.3117846,2.81866417,2.21969697,2.075,1.824229692,1.843278464,1.933641975,1.958534622,1.985690236,2.012051734,0.598687043,-0.323528551,0.084919659,-0.041908175,-0.024236378,0.004312616,0.014249408,0.044804752,-0.005062412,2795.456376,8.308608,-506.452119,-326.287976,231.46673,-98.183804,-101.33088,-104.477956,-107.625032,4362.866876,-208.0996262,-1399.066333,-665.9307755,487.0167262,-19.32395964,-20.12409739,-20.92423514,-21.72437289,4.345951281,0.09871316,1.668917913,-0.363143425,-0.483442801,-0.67552239,-0.695046957,-0.714571524,-0.734096091,19.39241743,-1.612766317,-6.536396795,-3.38835431,1.992051156,-0.003542623,-0.003561232,-0.003579841,-0.00359845,107.0021864,-9.924511131,-35.14023819,-19.28234351,10.2331989,-0.193630297,-0.196675811,-0.199721326,-0.20276684,82.25156055,0.512814039,24.69146362,-6.85498464,-9.784223372,-12.73037916,-13.12628877,-13.52219838,-14.55699687,0.006726821,-0.003676461,5.00E-04,-1.76E-04,-9.97E-05,2.00E-05,6.88E-05,2.26E-04,-2.68E-05,31.4096222,0.094416,-2.979130112,-1.370957882,0.952537984,-0.454554648,-0.489521159,-0.527666444,-0.569444614,49.02097613,-2.36476848,-8.229801959,-2.798028468,2.004184059,-0.089462776,-0.097217862,-0.105677955,-0.114943772,0.048830913,0.00112174,0.009817164,-0.001525813,-0.001989477,-0.003127418,-0.003357715,-0.003608947,-0.003884106,0.217892331,-0.01832689,-0.038449393,-0.014236783,0.008197741,-1.64E-05,-1.72E-05,-1.81E-05,-1.90E-05,1.202271757,-0.112778536,-0.206707283,-0.08101825,0.04211193,-8.96E-04,-9.50E-04,-0.001008694,-0.00107284,0.924174838,0.005827432,0.145243904,-0.028802456,-0.040264294,-0.058936941,-0.063412023,-0.068293931,-0.077021147,-0.546537653,0.074259064,-0.026176522,-0.014826942,0.002968091,0.010233322,0.033639462,-0.003981859,0.003005958,-0.09484769,-0.043647704,0.030326311,-0.014471828,-0.01558507,-0.016799516,-0.018129623,-0.04823993,-0.167883274,-0.057078188,0.040884214,-0.00182499,-0.001983189,-0.00215577,-0.002344787,0.022971933,0.201044042,-0.03124686,-0.040742153,-0.064045873,-0.068762072,-0.073907016,-0.079541955,-0.084109844,-0.176460515,-0.065338614,0.0376229,-7.53E-05,-7.90E-05,-8.30E-05,-8.74E-05,-0.093804529,-0.171930582,-0.067387635,0.035026964,-7.46E-04,-7.90E-04,-8.39E-04,-8.92E-04,0.006305552,0.157160634,-0.031165593,-0.043567832,-0.063772501,-0.068614747,-0.073897198,-0.083340451,1.610527878,0.942883561,1.028866121,1.066411043,1.167674658,1.202396113,1.225190685,1.311091754,1.2296957,1.190561824,1.035455178,0.946906395,1.029981583,1.037941013,1.046624028,1.056133996,1.468509992,1.340902672,1.065312488,0.907751893,0.979175785,0.977875503,0.976457013,0.974903429,0.721922497,0.701697631,0.963249847,1.115582439,1.250583773,1.300317184,1.354571814,1.413993552,1.56969352,1.377683075,1.076575259,0.90475208,0.975558974,0.973848894,0.971983353,0.969940141,1.586420953,1.376605584,1.078068229,0.907869901,0.979723447,0.97887992,0.977959708,0.976951857,0.584926423,0.482149105,0.842125134,1.113183044,1.24985433,1.301611551,1.358073974,1.423530383,658.4246939,329.7123469,518.535548,659.3640878,19.98072993,329.7123469,1,1.11E-16,3.36E-18,-121.2314419,2000241.64,60613.38303,47.87896922,658.5149091,329.7559857,518.6065793,659.4515434,19.9833801,329.7559857,0.997062316,0,0,0,2000241.657,60613.38355,47.87896925,738.2906809,368.3473515,581.6609039,736.7914289,22.327013,368.3473515,-1.595977912,4.16E-16,1.26E-17,-116.8696476,2000257.469,60613.8627,47.87899533,658.6095909,329.801785,518.681128,659.5433289,19.98616148,329.801785,0.993979201,1.94E-16,5.89E-18,-119.3847098,2000241.675,60613.38409,47.87896928,822.6340398,409.1524314,648.7427413,818.5672371,24.80506779,409.1524314,-4.329177057,1.17E-15,3.53E-17,-113.4719035,2000275.274,60614.40223,47.87902471,667.8689773,334.280757,525.9752635,668.5195421,20.25816794,334.280757,0.692536744,6.11E-16,1.85E-17,-115.6057732,2000243.442,60613.43765,47.87897219,669.1502569,334.8352396,525.1025859,670.7641023,20.32618492,334.8352396,2.315517241,1.11E-16,3.36E-18,-121.2314419,2000233.731,60613.14338,47.87895617,0,11.89,15.9979439,-0.316609247,0.262676701,4.348591797,7.643984277,32,88,86,86,30,2,2,0,0,2,66.967592,3.603130037,3.568303729,3.52678185,3.504885912,3.389381918,3.336843349,3.246150257,3.070353808,1.938509102,1.937685478,1.90923245,1.815481211,1.80977419,1.72647429,1.596050334,1.581617724,3.573058478,3.564122919,3.546464349,3.447617807,3.398778534,3.350207875,3.181360855,3.084548528,1.886839535,1.882181622,1.861428598,1.776893158,1.753289091,1.692259077,1.561022054,1.515064801,3.712692115,3.692258184,3.671862002,3.615785657,3.543483189,3.492773673,3.374977312,3.260189192,1.709521885,1.706589067,1.683446427,1.574711259,1.554796815,1.492784476,1.320304472,1.274950113,3.586624862,3.582457176,3.561300896,3.446206563,3.416565051,3.362670786,3.173324515,3.105743923,1.861587314,1.849170169,1.829800854,1.765524564,1.718610743,1.664690321,1.549259214,1.472421092,3.755156077,3.745079682,3.726559198,3.646463509,3.602073056,3.548972873,3.411696247,3.332522382,1.659193064,1.653436905,1.633725892,1.531317816,1.497468758,1.443506506,1.275333873,1.205255681,5.135782182,5.135731731,3.621969751,3.62159419,3.541153838,3.526488079,3.500808295,3.310871897,1.79818622,1.797677559,1.768351785,1.6360858,1.633229825,1.540332646,1.367685137,1.360542075,0,0,2,0,0,6,19,2,0,0,0,0,0,0,0,0,0,0,0,1.39384685,0,0,0,0.934347711,0,0,0,1.39384685,1.274273694,1.105171716,0.744016936,0.585024986,0.455341801,24.57285704,15.91359136,12.74049558,7.850642529,5.309587618,3.583569555,2.413138858,1.620908923,0.744632032,0.49729973,0.364014159,0.245332579,0.17127702,0.119452319,0.083211685,0.057889604,22.63693611,14.22685129,10.60928519,6.139525065,3.955307288,2.523886678,1.591661126,0.989005412,0.685967761,0.444589103,0.303122434,0.191860158,0.127590558,0.084129556,0.054884866,0.035321622,47.03037492,87.18208303,82.70980392,83.88,53.28048383,684.151921,0.528431179,0.979573967,0.92932364,0.94247191,0.598657122,7.687100235,8.7967,139.317,346.2620888,544.475909,692.5241775,20.98558114,346.2620888,2.78E-16,8.41E-18,-118.2076825,2000247.541,60613.56183,47.87897895,1360,0,0,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,27,2,0,0,0,0,0,0,0,0,0,0,4,0,21,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,34.20545688,-0.114245517,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.978547059,1.088368056,0,0,0,0,0,0,0,0,0,0,9.090971646,0,21.71350263,0,0,0,1.604314366,0,0,-0.114245517,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.54704793,10.65840895,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.329204476,-0.057122758,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.227064192,0.544184028,0,0,0,0,0,0,0,0,0,0,2.272742911,0,0.521726488,0,0,0,0.802157183,0,0,-0.057122758,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.77352396,5.329204476,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.77352396,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.573593893,0.544184028,0,0,0,0,0,0,0,0,0,0,2.272742911,0,1.317397899,0,0,0,0.802157183,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.77352396,5.329204476,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,66.5,2.015151515,0.573593893,11.77352396,-0.055322619,-0.057122758,15.09115024,1.723789425,4.773523963,28.59285705,1.723789425,4.773523963,28.59285705,15.83332,0.4798,0,0.0202,0.48277,0.79293,0.43069,0.48277,0.79293,0.05208,0,-0.05208,0,0.60509,0.1092,0,0.16842,0.12632,0,20.5,0.62121,17.5,0.5303,3,0.09091,-14.5,-0.43939,0,0,46.93795,1.42236,56.73231,9.79436,0.2968,13.79843,0.41813,15.91356,2.11513,0.06409,0.50044,0.01516,0.50044,0.01516,0,32.04,4,4,4,4,0,0,0.931034483,1.148842145,1.816196982,3.126890348,3.883186396,4.158443195,3.820925218,102.2469509,161.6415314,278.2932409,345.6035893,370.1014444,340.0623444,0.177407263,0.280461974,0.482862734,0.599651983,0.642157871,0.590037446,5.326891286,4.659536449,3.348843083,2.592547035,2.317290235,2.654808213,0.17696675,0.27976557,0.481663756,0.598163011,0.640563354,0.588572348,9.966919384,18.15472416,22.61685701,25.41004306,24.65118072,22.43132504,121.709075,84.75375241,68.2709427,52.31822558,53.67978922,65.67743382,33,25.10367347,28.125,33,3,9,4.21,4.3435,0.516459057,7.431425419,1.916288597,0,0,11.09985732,0,0.46086835,0,0,0.1,0.894427191,0.1,0,0,0,0,0,0,0.003,0.799,0.788,0.911,0.09,14.969,35,32,31,30,29,28,27,26,26,329,3.555348061,3.688879454,3.610917913,3.583518938,3.555348061,3.526360525,3.496507561,3.465735903,3.433987204,3.526360525,5.916202063,1.124620061,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26,0.8125,30,0.9375,2,14,28,1,4.5,1.555555556,0.875,0.56,0.388888889,0.285714286,0.21875,0.148148148,0.12,0.148760331,0.140625,0.044444444,0.02734375,0.018064516,0.012962963,0.009852217,0.0078125,0.005486968,0.004615385,0.005721551,0.307731988,346.2620888,544.475909,692.5241775,20.98558114,346.2620888,2.78E-16,8.41E-18,-118.2076825,2000247.541,60613.56183,47.87897895,52.6,540.0280023,6.044394119,4.905274778,5.59471138,6.326149473,7.025538315,7.756623335,8.46062284,9.191259484,9.89812319,10.62849671,134.7867995,4.17438727,0,5.323009979,0,6.586171655,0,7.901377354,0,9.246190025,9.553220605,468.4178603,5.263122026,64.13436816,1.943465702,10.99227514,10.99227514,0,5484,32,11.761,134,1.247659091,2.151324536,2.886080755,3.608040053,4.838181388,5.875766074,7.104413401,8.213805637,9.435750565,10.56815324,90.68714439,95.59856635,92.6136665,117.135718,160.2357367,195.8334262,232.0650275,269.7221651,312.7727769,357.4662439,298.8661338,355.0068585,376.0289455,466.6545013,633.2767282,771.7385576,914.4548749,1057.183822,1192.363493,1321.231005,9.332199244,15.85960153,20.9280228,26.28870114,35.46200172,43.14507231,52.22883316,60.50428764,69.6597424,78.46138344,2.162922629,2.793674362,3.096172046,3.818693453,5.146578499,6.263451493,7.432930684,8.576375371,9.646688433,10.72105669,179.225838,332.7719826,469.2492198,588.9379976,789.1241699,957.0008038,1162.237327,1343.792832,1547.125888,1750.989034,2.839551136,4.618704044,5.370551758,6.876267719,9.644007907,11.82409676,14.47369038,16.91069052,20.27942521,25.40043324,0.465987784,0.616815314,0.692415276,0.861460551,1.167372785,1.424356364,1.69830308,1.966200942,2.238775282,2.465570948,1112.468393,2596.662981,34.79378289,285.4405761,-666.2598074,-35.10076858,827.0278167,3262.922788,69.89455147,0.795808896,1.857533672,0.024889877,0.204191104,-0.476611727,-0.025109481,1555.129544,3629.89847,48.63854117,399.0199414,-931.3705604,-49.06767921,0.112010801,0.135214047,0.803150212,1.571102963,1299.776561,98.13240801,0.929800573,0.070199427,2289.437426,47.84806606,13.17982345,2831.911446,53.21570676,14.14794044,4399.324091,66.32740076,16.3855863,5.669331696,5.669331696,50771.34373,50536.5512,405.8624676,1.004645994,125.0949466,124.5164439,11.66103325,17.73298522,35.43259088,0.998117657,15.64488311,25.65930769,11.58317162,116.2964858,37.35026207,9.493395018,28.9532114,24.68482023,77.93142282,6.514997296,15.07020683,59.6135943,15.78399567,55.16438684,4.512797006,39.29348155,17.72000994,17.6663319,15.03972524,3.991225164,78.09628553,4.119177935,27.02578153,1.623742195,5.929667796,76.84485517,11.46893726,34.51759377,1.098993796,6.391505382,1.345981669,25.96054014,0.949205219,30.10817939,1.397600073,3.555877627,4.602613931,1.462805926,19.942514,0.251331947,9.741734356,6.501158724,1.467909639,12.97565287,0.14535231,14.39099251,4.249472349,2.318504561,6.753327414,0.294900804,19.70993578,1.564433458,7.381768009,0.518200895,0.303206861,12.76031603,0.389352626,7.91412504,0.055452073,1.245748475,4.25015803,25.39842302,2.564502525,35.8939571,3.820681495,3.822428393,7.63070174,3.948244994,25.65384204,1.005493478,9.464242995,13.32347164,3.024262111,17.85619339,0.622990875,17.67468577,5.285497087,3.691585359,5.863226186,0.824139336,27.09583473,1.143522579,8.564277755,0.429600988,0.763570753,22.60079004,1.63453208,10.4476661,0.198059078,1.809402241,14.77772366,25.96035908,11.86057979,110.5212515,33.71871232,9.093516333,29.34410446,23.53100759,76.86214095,5.946039969,15.01621287,56.35336082,14.69560878,54.26872248,4.099018875,38.34834542,18.21733192,16.11066866,16.40388627,4.043317521,76.04433305,4.476988724,26.89630838,1.831298535,6.057749623,72.99578366,10.43110694,33.45924631,1.013459442,5.92555894,6.248787457,25.18488049,3.556169101,42.87404666,6.870842419,4.301476774,9.818470376,6.061634901,30.57235641,1.678902974,9.717050809,19.09744753,4.429796352,21.84089445,1.07375541,20.50087223,6.189185536,5.156014299,5.865366823,1.163544439,33.64684997,1.085263364,10.23173981,0.41400867,1.104498972,30.15561836,2.791093268,12.84122294,0.316259348,2.34187934,18.89350815,25.85057265,15.22457859,154.8034132,53.96437424,12.07009031,37.52145214,34.04146157,100.9318683,8.832249762,17.63818019,77.59065699,21.43467897,70.41282831,6.211065021,46.56507911,23.32208209,24.15363405,19.42273363,5.306793651,96.17725482,5.68392277,35.13243058,2.257113852,8.556292661,96.48150433,15.71990804,44.90257638,1.455705967,8.363583523,10.28437574,25.24893152,9.382777604,86.65221255,18.21530218,7.024008342,26.11781515,19.51617907,69.57727908,3.420025913,13.15405209,42.69009206,10.13944315,50.61711867,2.135231923,30.01584751,23.34749837,8.814091982,26.37309273,4.566785714,63.75300753,9.469266034,27.29810039,3.964529766,7.515538455,54.66408189,5.475675283,26.92860439,0.58888783,3.573347797,122.8724498,1.067901383,0.626180119,0.986400187,0.00857294,0.594719519,0.466763477,0.504239831,124.5665313,208.8246428,415.5558111,0.979600281,1.565722828,107.7099808,0.698453537,0.18255153,0.991886941,0.006431966,0.457019894,0.199668075,0.042102775,108.5909858,95.02054256,217.3449561,0.987830412,0.698790744,117.1852577,0.789035045,0.362408589,0.990269767,0.006667712,0.540951735,0.254816249,0.167484693,118.3367014,135.2181722,287.0643586,0.985404651,0.963252676,121.1384742,1.068398892,0.605213008,0.98637258,0.008699461,0.578053443,0.467198449,0.47076416,122.8120861,203.3854009,404.5267035,0.97955887,1.516016052,120.7157732,0.849136238,0.447665435,0.989371574,0.006959416,0.574033104,0.295113666,0.256387436,122.0125748,156.9245455,324.8246796,0.98405736,1.125534206,123.1554145,1.108483298,0.657833656,0.985860611,0.008873422,0.597460683,0.502913014,0.556939802,124.9217315,218.2606944,432.9870612,0.978790917,1.6573135,121.5403045,1.082146841,0.609393128,0.986273516,0.00878139,0.581893816,0.479299427,0.477591217,123.2318445,206.2497358,409.6316803,0.979410274,1.53878446 +UMLPP0013,L,Iso-decyl Sebacate,CC(C)CCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC(C)C,UML,,-60,0,-3.0404,9.24403216,115.131,94.681994,0,0,92,34,58,0,30,0,4,0,0,0,0,0,0,0,5410.727346,5750.326305,7038.292444,6762.696409,6507.516,6292.470119,6095.71339,5898.956661,5702.199932,15373.92734,19906.05711,27195.66852,29474.65442,28102.91357,26536.60783,25529.80949,24523.01114,23516.2128,669.293256,676.619892,1290.352096,1783.476196,1820.870592,1637.05334,1574.16844,1511.28354,1448.39864,112.0273645,147.92191,218.2490783,250.2486972,239.7851924,222.7606313,213.7391024,204.7175736,195.6960447,15270.85964,13224.61535,27487.64165,40474.72108,41967.22081,37159.74792,35680.79276,34201.83761,32722.88245,255.1111111,200.5833333,362,446.4166667,460.1666667,429.9166667,417.6666667,405.4166667,392.5,58.81225376,63.19039896,39.99029798,27.37933769,25.82347619,27.96653386,28.22089532,28.49737517,28.79898956,167.1079058,218.7478803,154.5208439,119.3305847,111.5194983,117.9404792,118.1935624,118.4686529,118.7687515,7.274926696,7.435383429,7.331546,7.220551401,7.225676952,7.275792622,7.287816852,7.300886667,7.315144646,1.217688744,1.625515494,1.240051581,1.01315262,0.951528541,0.99004725,0.989532882,0.988973785,0.988363862,165.9876048,145.3254434,156.1797821,163.8652675,166.5365905,165.1544352,165.1888554,165.2262686,165.2670831,2.77294686,2.204212454,2.056818182,1.807354926,1.826058201,1.910740741,1.933641975,1.958534622,1.982323232,0.60292988,-0.323528566,0.082797747,-0.041919077,-0.024404249,0.00256212,0.002873046,0.009985871,0.031407216,2877.181867,8.201950442,-547.7224844,-322.1933371,232.0792463,-94.41959607,-97.36477436,-100.3099526,-103.2551309,4513.209834,-208.402568,-1475.475393,-664.2767788,485.885277,-18.55080022,-19.29960589,-20.04841155,-20.79721721,4.368057913,0.101298629,1.66868521,-0.344956093,-0.46448924,-0.650004331,-0.668276318,-0.686548304,-0.704820291,20.06337296,-1.612622065,-6.871281337,-3.38865206,1.992730898,-0.003423776,-0.003441191,-0.003458606,-0.003476021,110.6477769,-9.919790784,-36.94359772,-19.28910004,10.25630161,-0.186771858,-0.18962199,-0.192472123,-0.195322255,82.54589372,0.577189666,24.6899811,-6.52236925,-9.415563957,-12.24448645,-12.61499685,-12.98550725,-14.02268431,0.006553586,-0.003555259,4.70E-04,-1.70E-04,-9.68E-05,1.14E-05,1.33E-05,4.82E-05,1.59E-04,31.27371594,0.090131324,-3.112059571,-1.304426466,0.92094939,-0.419642649,-0.450762844,-0.484589143,-0.52149056,49.05662863,-2.29013811,-8.383382914,-2.689379671,1.928116179,-0.082448001,-0.089350027,-0.09685223,-0.105036451,0.04747889,0.001113172,0.009481166,-0.001396583,-0.001843211,-0.002888908,-0.003093872,-0.003316658,-0.003559698,0.218080141,-0.017721122,-0.039041371,-0.013719239,0.007907662,-1.52E-05,-1.59E-05,-1.67E-05,-1.76E-05,1.202693227,-0.10900869,-0.209906805,-0.078093522,0.04069961,-8.30E-04,-8.78E-04,-9.30E-04,-9.86E-04,0.897237975,0.006342744,0.140283984,-0.026406353,-0.037363349,-0.05441994,-0.058402763,-0.062731919,-0.070821638,-0.542490655,0.071783871,-0.025896184,-0.014776988,0.001737553,0.002029597,0.007360997,0.024203896,0.002882015,-0.099510387,-0.041709993,0.029448032,-0.013418381,-0.014413472,-0.015495093,-0.016675043,-0.046683561,-0.17089195,-0.054821942,0.039303887,-0.00168067,-0.001821365,-0.001974294,-0.002141127,0.023445614,0.19969224,-0.029414828,-0.038821701,-0.06084616,-0.065163103,-0.069855434,-0.074974339,-0.081259676,-0.179023047,-0.062909163,0.03626035,-6.98E-05,-7.31E-05,-7.66E-05,-8.05E-05,-0.090637153,-0.174530629,-0.064932204,0.033840391,-6.90E-04,-7.30E-04,-7.73E-04,-8.20E-04,0.007069188,0.156350921,-0.029430713,-0.04164263,-0.060652738,-0.06509172,-0.069916701,-0.078932947,1.609750115,0.946076179,1.025744269,1.0636224,1.160736827,1.200000132,1.237327156,1.265094458,1.236844544,1.198912374,1.033438009,0.947785792,1.027483675,1.034840898,1.042837879,1.051561859,1.469473226,1.346310778,1.062884584,0.911045952,0.980022564,0.97882673,0.977526912,0.976108928,0.72369828,0.702949487,0.958936341,1.11070452,1.239597269,1.28667237,1.337840958,1.393661236,1.567362394,1.381935618,1.073800192,0.908239474,0.97665251,0.97508001,0.97337077,0.971506145,1.583560267,1.38079504,1.075213228,0.911147205,0.980519088,0.979743027,0.978899483,0.977979252,0.585869374,0.483003426,0.838342784,1.108249937,1.238790113,1.287854477,1.341185307,1.403076236,703.1036603,352.0518301,554.6120662,704.0448368,20.70720108,352.0518301,1,9.44E-16,2.78E-17,-117.628897,387.7019642,11.40299895,20.2648055,703.1955254,352.0962939,554.6836478,704.133937,20.70982168,352.0962939,0.997062316,1.78E-15,5.22E-17,-115.4783203,387.7391993,11.4040941,20.26513202,784.4171144,391.4105683,618.2265559,782.9150176,23.02691228,391.4105683,-1.595977912,6.94E-16,2.04E-17,-118.674345,421.5756158,12.39928282,20.54959714,703.2919388,352.142959,554.7587741,704.2274486,20.71257202,352.142959,0.993979201,1.03E-15,3.02E-17,-117.3414019,387.7782807,11.40524355,20.2654747,870.2671563,432.9689896,685.8372323,866.1926368,25.47625402,432.9689896,-4.329177057,2.47E-15,7.27E-17,-114.3571591,458.8921822,13.49682889,20.83797197,712.7204613,356.706499,562.1093857,713.3722606,20.98153708,356.706499,0.692536744,7.22E-16,2.12E-17,-118.5409945,391.6140504,11.51806031,20.29894108,714.9379086,357.7232794,562.539363,716.5727545,21.07566925,357.7232794,2.316031746,3.61E-16,1.06E-17,-120.8976949,368.7162596,10.84459587,20.09409317,0,11.89,15.99794491,-0.316609247,0.262684549,4.349045898,7.64410895,33,91,89,89,31,2,2,0,0,2,69.154006,3.601531907,3.572498472,3.527738633,3.509298111,3.404089873,3.343592139,3.276742028,3.099645739,1.938772813,1.937725114,1.919300509,1.817971777,1.810666912,1.762125025,1.60466536,1.585585972,3.574607679,3.564428657,3.550664623,3.460629517,3.403263476,3.365101733,3.22213697,3.098559424,1.887891489,1.882373946,1.867289534,1.784176806,1.75624523,1.713317289,1.582387077,1.524651704,3.713195995,3.693370007,3.673978081,3.624896557,3.551494784,3.503270259,3.406681987,3.279260496,1.7104123,1.706704499,1.691105549,1.583468657,1.557019443,1.51813741,1.349144507,1.283119596,3.587800468,3.58260689,3.567945053,3.458291146,3.41938696,3.383555171,3.212609812,3.115823072,1.862577412,1.84975339,1.832956998,1.773813043,1.724202322,1.678310944,1.574727135,1.48684746,3.756473546,3.745482291,3.730388514,3.656432442,3.606911323,3.564073613,3.442080685,3.346233188,1.660541324,1.653645436,1.639310334,1.542578022,1.500880549,1.462383687,1.310399691,1.216515769,5.141349919,5.141335473,3.623418399,3.623071292,3.551487588,3.528733709,3.514449348,3.331066022,1.79718693,1.796398749,1.780849812,1.636891344,1.632330641,1.58889667,1.372798129,1.361215646,0,0,2,0,0,6,20,2,0,0,0,0,0,0,0,0,0,0,0,1.39384685,0,0,0,0.934347711,0,0,0,1.39384685,1.274273694,1.105171716,0.744016936,0.585024986,0.455341801,25.27996383,16.41359136,13.09404897,8.100642529,5.486364313,3.708569555,2.501527205,1.683408923,0.743528348,0.497381556,0.363723582,0.245474016,0.171448885,0.119631276,0.08338424,0.058048584,23.34404289,14.72685129,10.96283858,6.389525065,4.132083984,2.648886678,1.680049473,1.051505412,0.686589497,0.446268221,0.304523294,0.193621972,0.129127624,0.085447957,0.056001649,0.036258807,48.57220273,90.06991988,85.43529412,86.64,55.07903832,707.180176,0.527958725,0.979020868,0.928644501,0.94173913,0.598685199,7.686741044,9.1868,143.934,368.8940338,580.7552223,737.7880676,21.69964905,368.8940338,1.69E-15,4.98E-17,-115.6415516,400.5036742,11.77951983,20.375258,1454,0,0,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,28,2,0,0,0,0,0,0,0,0,0,0,4,0,22,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,34.25769104,-0.086831052,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.204610789,1.07617284,0,0,0,0,0,0,0,0,0,0,9.099980126,0,23.12082552,0,0,0,1.608334371,0,0,-0.086831052,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.57566796,10.68202308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.341011541,-0.043415526,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.226473712,0.53808642,0,0,0,0,0,0,0,0,0,0,2.274995031,0,0.540119673,0,0,0,0.804167185,0,0,-0.043415526,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.78783398,5.341011541,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.78783398,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.570952498,0.53808642,0,0,0,0,0,0,0,0,0,0,2.274995031,0,1.319911029,0,0,0,0.804167185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.78783398,5.341011541,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,68,2,0.570952498,11.78783398,-0.059441673,-0.043415526,15.7712146,1.710082193,4.787833979,28.71534233,1.710082193,4.787833979,28.71534233,16.33332,0.48039,0,0.01961,0.48116,0.7902,0.43077,0.48116,0.7902,0.05039,0,-0.05039,0,0.60794,0.10635,0,0.16327,0.12245,0,21,0.61765,18,0.52941,3,0.08824,-15,-0.44118,0,0,48.95544,1.43987,58.81743,9.86198,0.29006,14.29843,0.42054,16.41356,2.11513,0.06221,0.50044,0.01472,0.50044,0.01472,0,33.04,4,4,4,4,0,0,0.933333333,1.143457439,1.797240785,3.087079347,3.84347038,4.153571738,3.868367054,105.1980844,165.3461522,284.0112999,353.5992749,382.1285999,355.889769,0.17528115,0.275499918,0.473219902,0.589167453,0.636703041,0.592983876,5.380104517,4.726321171,3.436482609,2.680091576,2.369990218,2.655194902,0.174863078,0.27484281,0.472091203,0.587762202,0.635184411,0.591569522,9.894819671,17.91391176,22.32499926,25.17937984,24.71645462,22.61061603,125.5223438,88.39691797,71.72824235,54.96808751,54.68716157,65.98679615,34,26.07407407,29.1496786,34,3,10,4.32,4.4844,0.504517134,7.519110361,1.873449861,0,0,11.18537879,0,0.440600717,0,0,0.090909091,0.852802865,0.090909091,0,0,0,0,0,0,0.003,0.799,0.788,0.911,0.09,15.468,36,33,32,31,30,29,28,27,26,339,3.583518938,3.713572067,3.63758616,3.610917913,3.583518938,3.555348061,3.526360525,3.496507561,3.465735903,3.433987204,5.934894196,1.112094395,0.482758621,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,27,0.818181818,31,0.939393939,2,15,29,0.933333333,4.5,1.555555556,0.875,0.56,0.388888889,0.285714286,0.21875,0.172839506,0.08,0.165289256,0.136363636,0.043209877,0.026515152,0.0175,0.012544803,0.00952381,0.007543103,0.00617284,0.002962963,0.006357279,0.299188088,368.8940338,580.7552223,737.7880676,21.69964905,368.8940338,1.69E-15,4.98E-17,-115.6415516,400.5036742,11.77951983,20.375258,52.6,557.3239869,6.087462841,4.934473933,5.624017506,6.354370041,7.053585727,7.783640596,8.487352349,9.217018027,9.923535248,10.65294418,137.0309376,4.204692619,0,5.351858133,0,6.613384218,0,7.926963545,0,9.270211769,9.577826662,482.4335103,5.243842504,66.13436407,1.945128355,10.99241894,10.99241894,0,6021,33,12.33,138,1.247725275,2.151652217,2.885777731,3.608665175,4.843117897,5.880303163,7.113160143,8.223087057,9.449331714,10.58365835,90.40805868,94.98438911,92.05783712,116.6384643,159.0308252,194.2030591,229.9691436,267.0385143,309.2933063,336.6090164,298.9081288,354.856262,375.3675469,467.2433339,632.6470915,770.9049001,913.3496732,1055.753292,1191.00413,1327.136845,9.324852617,15.84513064,20.90031602,26.26214575,35.43600605,43.09886868,52.18496014,60.43775776,69.58662197,78.76442871,2.165532261,2.797234633,3.095870808,3.830008873,5.154995628,6.274409722,7.447576731,8.594496449,9.673534888,10.68842824,179.1849708,332.6640622,469.2362553,588.6165867,789.7554187,957.4224958,1163.350056,1344.841274,1548.876964,1754.618557,2.820288462,4.577185386,5.321180576,6.817623151,9.536904379,11.68382836,14.28775082,16.67585822,19.83524717,22.37963085,0.465910467,0.616604138,0.691134121,0.862055844,1.166309877,1.422910105,1.69649389,1.963820792,2.236049931,2.477156983,1121.435578,2677.236337,34.9542309,270.7970073,-646.4817079,-33.46623522,850.6385708,3323.718045,68.42046612,0.805494419,1.92298066,0.025106603,0.194505581,-0.464348928,-0.024037819,1561.299154,3727.335667,48.66441926,377.0124177,-900.0528997,-46.59278319,0.109515459,0.132201791,0.78525788,1.536102417,1296.510221,95.72236466,0.931245421,0.068754579,2351.518995,48.49246328,13.29789289,2913.367088,53.97561568,14.28230829,4517.589108,67.21301294,16.53111863,4.944272148,4.944272148,56221.80598,55986.4792,386.141204,1.004203279,145.599085,144.989653,11.79026358,18.95858013,36.68042422,0.934766421,16.20268421,26.607825,11.87950412,121.2693635,39.32511172,9.493410659,29.74752447,24.8228477,82.29582136,6.545809048,15.0706129,64.16282049,15.89453426,61.17697658,4.51276682,39.29553155,21.18826427,17.66570905,21.1907283,3.991225187,78.7401915,4.868849104,24.72938081,1.80149684,5.915430992,90.7511576,11.47129691,40.43025362,1.159791633,4.385587151,1.392794051,26.90901535,0.971322151,31.12157199,1.411666417,3.555893139,4.725172998,1.463778421,21.02146616,0.251548984,9.742140432,6.813521944,1.468688172,14.12562375,0.145352098,14.3930323,4.388160466,2.318420633,7.5814884,0.294900818,18.3999781,2.743908156,4.821484656,0.749461013,0.285091619,14.39307553,0.389702473,10.90763178,0.053339866,0.496768088,4.401274104,26.34690111,2.637712181,37.17516206,3.966028462,3.822443914,7.89036496,3.958376343,27.14844955,1.007754956,9.464649071,14.36502732,3.032375018,19.74692846,0.622988661,17.67672764,5.798500239,3.691454435,7.823258768,0.824139345,27.0137167,1.611654927,7.246627371,0.498833701,0.753697063,26.10769726,1.635088248,13.20624305,0.200988983,0.759866572,15.3042424,26.9088718,12.13839845,115.0605558,35.47837613,9.09353196,30.09728787,23.65398783,80.93520536,5.973492704,15.01661894,60.5952238,14.79409667,59.89454769,4.098991981,38.3503948,21.44835156,16.1098632,22.64368238,4.04331755,76.15504586,5.643534328,23.36173312,2.104261797,6.038918197,85.61415301,10.43437875,40.59654041,1.064419886,4.074497004,6.471504746,26.13336227,3.665901439,44.49955323,7.186168335,4.301492306,10.1722558,6.083640669,32.42800544,1.68381514,9.717456886,20.67984576,4.44741867,24.31490554,1.073750599,20.50291553,7.030883185,5.155891204,8.389231915,1.163544446,33.88528773,1.356549674,9.315321576,0.451195832,1.097805985,35.22622452,2.791570857,15.43849623,0.325565997,1.094587865,19.56713377,26.79910926,15.59141993,161.5986853,56.84399373,12.07010601,38.46805594,34.24276051,106.4773629,8.877185717,17.63858627,83.33239479,21.59588911,77.95857499,6.211020998,46.56713142,28.08681227,24.15272547,27.11873981,5.306793681,96.96778625,6.68154442,32.06599111,2.517204264,8.538951372,114.1374157,15.7233574,52.39886927,1.544395555,6.074115673,10.65547195,26.19257248,9.584140387,89.43878751,19.07381624,7.044651115,26.69857852,19.62973195,72.35355232,3.442623561,13.1930559,45.39534176,10.21425733,54.32667458,2.141490494,30.10587628,25.5823425,8.837913255,31.04891182,4.580197783,56.56953099,18.77007923,17.24327796,5.299929315,7.508023711,60.76117977,5.500550363,38.15901731,0.592387184,2.4175641,131.0118644,1.049713349,0.574908404,0.987751321,0.007914213,0.590813332,0.459888156,0.447387394,132.6364862,213.4482139,425.1489226,0.981626981,1.498088882,115.8985668,0.643949895,0.156248036,0.993143047,0.005518052,0.462472785,0.175230319,0.035321871,116.6987648,92.84240929,221.2024134,0.989714571,0.673024975,125.2991775,0.758909938,0.321631363,0.991450042,0.006004998,0.540447597,0.240362188,0.143327049,126.3797188,135.6350255,292.5989251,0.987175063,0.924136834,129.3064141,1.045614405,0.557528984,0.987753809,0.007987304,0.57554171,0.458109274,0.426355173,130.9095575,207.8796833,414.1697515,0.981630714,1.460006158,128.8002128,0.8280979,0.399996024,0.99055518,0.006368597,0.571046998,0.284483394,0.216305771,130.0283068,158.5099947,331.2015517,0.98583277,1.071836163,131.3070378,1.090505197,0.606152741,0.987243528,0.008199059,0.59347705,0.496974464,0.497852118,133.0036957,223.4441407,443.2434578,0.980865292,1.588303631,129.7113784,1.058352587,0.561337656,0.987667121,0.008058661,0.579153187,0.46956763,0.432613045,131.3310686,210.6863471,419.0780584,0.981500681,1.481333862 +UMLPP0014,L,Iso-decyl Dodecanedioate,CC(C)CCCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCCCC(C)C,UML,,-41,0,-3.6164,13.07834896,120.9542,100.869166,0,0,98,36,62,0,32,0,4,0,0,0,0,0,0,0,5703.319844,6087.282899,7425.709518,7156.209867,6901.029458,6685.983577,6489.226848,6292.470119,6095.71339,16345.29612,21212.03738,29022.76274,31488.25111,30116.51026,28550.20452,27543.40618,26536.60783,25529.80949,711.248144,720.171452,1375.811112,1909.245996,1946.640392,1762.82314,1699.93824,1637.05334,1574.16844,119.3836161,157.9538872,233.6244586,268.2917549,257.8282502,240.803689,231.7821602,222.7606313,213.7391024,16264.11896,14090.69426,29336.04605,43432.63139,44925.13112,40117.65823,38638.70307,37159.74792,35680.79276,263.6111111,211.0833333,380.5,470.9166667,484.6666667,454.4166667,442.1666667,429.9166667,417,58.19714127,62.7554938,39.49845488,27.00456554,25.55936836,27.51433571,27.73173867,27.96653386,28.22089532,166.7887359,218.6807977,154.3763976,118.8235891,111.5426306,117.4905536,117.706864,117.9404792,118.1935624,7.257634122,7.424447959,7.318144213,7.204701872,7.20977923,7.254416214,7.264693333,7.275792622,7.287816852,1.218200164,1.62839059,1.242683291,1.012421717,0.954919445,0.990961683,0.990522052,0.99004725,0.989532882,165.9603976,145.2648892,156.0427982,163.8967222,166.3893745,165.0932437,165.1226627,165.1544352,165.1888554,2.689909297,2.176116838,2.02393617,1.777044025,1.795061728,1.870027435,1.88960114,1.910740741,1.930555556,0.611415554,-0.323528567,0.078554894,-0.041919586,-0.024415645,0.002383346,9.55E-04,-0.003140986,-0.014788026,3040.446453,8.006323498,-630.1103646,-314.8112936,233.146128,-87.6795669,-90.27515093,-92.87073496,-95.46631898,4813.848358,-208.9532928,-1628.046375,-661.2866045,483.8185899,-17.17115272,-17.83107474,-18.49099677,-19.1509188,4.411114776,0.105982885,1.666716145,-0.312264158,-0.430346586,-0.604257005,-0.620360097,-0.636463189,-0.652566281,21.4052829,-1.612360067,-7.54115892,-3.389193197,1.993965261,-0.003208485,-0.003223833,-0.003239181,-0.003254529,117.9387776,-9.911218934,-40.55381114,-19.30142548,10.2982195,-0.174408565,-0.176920385,-0.179432205,-0.181944025,83.11111111,0.693877551,24.67006803,-5.925170068,-8.75170068,-11.37414966,-11.70068027,-12.02721088,-13.02040816,0.006238934,-0.003335346,4.18E-04,-1.58E-04,-9.04E-05,9.81E-06,4.08E-06,-1.40E-05,-6.85E-05,31.0249638,0.082539418,-3.351650876,-1.187967146,0.863504178,-0.360821263,-0.385791243,-0.412758822,-0.441973699,49.12090162,-2.154157658,-8.659821145,-2.495421149,1.791920703,-0.07066318,-0.076201174,-0.082182208,-0.088661661,0.045011375,0.001092607,0.008865511,-0.001178355,-0.001593876,-0.002486654,-0.002651112,-0.002828725,-0.00302114,0.218421254,-0.016622269,-0.040112547,-0.012789408,0.007385057,-1.32E-05,-1.38E-05,-1.44E-05,-1.51E-05,1.203456914,-0.102177515,-0.215711761,-0.072835568,0.038141554,-7.18E-04,-7.56E-04,-7.97E-04,-8.42E-04,0.848072562,0.007153377,0.131223766,-0.022359132,-0.032413706,-0.0468072,-0.050002907,-0.053454271,-0.060279667,-0.534601894,0.066973808,-0.02535483,-0.014494193,0.001572065,6.54E-04,-0.002237552,-0.010973522,0.002660419,-0.108030775,-0.038290686,0.02783256,-0.01163003,-0.012434865,-0.013304087,-0.014245744,-0.043854196,-0.176296054,-0.050801615,0.036479801,-0.001438556,-0.001551298,-0.00167306,-0.001804968,0.024274021,0.196961576,-0.026179056,-0.035410521,-0.05524502,-0.058898701,-0.062844676,-0.067119482,-0.076101883,-0.183647638,-0.058553863,0.033811071,-6.05E-05,-6.31E-05,-6.59E-05,-6.90E-05,-0.084903343,-0.179243444,-0.060521957,0.031693327,-5.96E-04,-6.28E-04,-6.63E-04,-7.00E-04,0.008434864,0.154731767,-0.026364645,-0.03822044,-0.055192447,-0.058960647,-0.063030303,-0.071078431,1.608226923,0.952465183,1.020205513,1.058446782,1.146456546,1.182899206,1.223723286,1.270872687,1.250065992,1.214324919,1.029918861,0.949513208,1.023225422,1.029568329,1.036418669,1.043839871,1.471233681,1.356092098,1.058531418,0.916973655,0.981523304,0.980501875,0.979398731,0.978203659,0.727387104,0.705719251,0.951305248,1.10194873,1.220095193,1.262564559,1.308431473,1.358120631,1.563138641,1.389611827,1.068812889,0.914501735,0.978576381,0.97723356,0.975783313,0.974212212,1.578371867,1.38837443,1.070086738,0.917048351,0.98193586,0.981272535,0.980556144,0.979780054,0.58790107,0.484917226,0.831659267,1.099390969,1.219144055,1.263540381,1.311488414,1.367034314,796.8354932,398.9177466,630.3021397,797.7799376,22.16055382,398.9177466,1,9.71E-16,2.70E-17,-124.4438887,429.6929017,11.93591394,21.82705478,796.9304721,398.9637672,630.3746482,797.8721421,22.16311506,398.9637672,0.997062316,1.94E-16,5.40E-18,-130.2378652,429.7305822,11.93696062,21.82737045,880.8866881,439.6453551,694.7466038,879.3793757,24.42720488,439.6453551,-1.595977912,3.36E-15,9.33E-17,-119.9782958,463.9454475,12.88737354,22.10316111,797.0301535,399.0120663,630.4507473,797.9689116,22.1658031,399.0120663,0.993979201,3.05E-16,8.48E-18,-128.6107188,429.7701311,11.9380592,21.82770175,969.5965149,482.6336689,763.2675701,965.5078476,26.81966243,482.6336689,-4.329177057,5.55E-16,1.54E-17,-126.4585056,501.7100056,13.93638904,22.38488019,806.7779761,403.7352564,637.8965715,807.4320386,22.42866774,403.7352564,0.692536744,1.11E-16,3.08E-18,-132.2524821,433.6510759,12.04586322,21.86006486,810.9839821,405.7358398,641.047724,812.6573452,22.57381515,405.7358398,2.316964286,3.05E-16,8.48E-18,-128.6107188,410.0297861,11.38971628,21.6584273,0,11.89,15.99794694,-0.316609247,0.26270041,4.349386475,7.644590464,35,97,95,95,33,2,2,0,0,2,73.526834,3.599090453,3.578844172,3.529772809,3.514931609,3.435412563,3.356758327,3.312141108,3.178543283,1.940307202,1.937797554,1.932090814,1.834339969,1.812100671,1.800389585,1.660009087,1.59183114,3.578001118,3.565027658,3.55601111,3.485429972,3.413320239,3.382575865,3.292234523,3.140488334,1.890818341,1.882737055,1.874581472,1.803090074,1.761712041,1.737438633,1.636397689,1.544341461,3.71406254,3.69552296,3.677507865,3.639484964,3.568862667,3.519498753,3.454516969,3.329557445,1.713666824,1.706922031,1.700216553,1.609394566,1.56130122,1.542666236,1.422710622,1.302479553,3.591447386,3.58289277,3.575782268,3.486975027,3.425311407,3.403902309,3.292229661,3.144536237,1.86447299,1.850872197,1.837640025,1.789277529,1.735361708,1.697301111,1.621424652,1.519942126,3.759204068,3.746263125,3.735591481,3.675890165,3.616909121,3.583300118,3.498416021,3.380365671,1.664089402,1.654046246,1.646076973,1.567626891,1.507971509,1.48271347,1.380536975,1.24651084,5.151515956,5.151514778,3.626057446,3.62575246,3.573090634,3.532999746,3.525966322,3.401052782,1.799822559,1.794072628,1.792463803,1.666400019,1.630648834,1.626307958,1.455746917,1.362114117,0,0,2,0,0,6,22,2,0,0,0,0,0,0,0,0,0,0,0,1.39384685,0,0,0,0.934347711,0,0,0,1.39384685,1.274273694,1.105171716,0.744016936,0.585024986,0.455341801,26.69417739,17.41359136,13.80115575,8.600642529,5.839917704,3.958569555,2.6783039,1.808408923,0.741504927,0.497531182,0.363188309,0.245732644,0.171762285,0.119956653,0.083696997,0.058335772,24.75825645,15.72685129,11.66994536,6.889525065,4.485637374,2.898886678,1.856826168,1.176505412,0.687729346,0.449338608,0.307103825,0.196843573,0.131930511,0.087845051,0.058025818,0.037951787,51.65585834,95.84559359,90.88627451,92.16,58.67614731,753.2366862,0.527100595,0.978016261,0.927410964,0.940408163,0.598736197,7.686088635,9.967,153.168,416.3142171,656.7923592,832.6284342,23.12856762,416.3142171,1.94E-16,5.40E-18,-130.2378652,442.6615615,12.29615449,21.93409983,1650,0,0,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,30,2,0,0,0,0,0,0,0,0,0,0,4,0,24,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,34.34180047,-0.049385222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.644222472,1.060382231,0,0,0,0,0,0,0,0,0,0,9.115035791,0,25.97781978,0,0,0,1.614729184,0,0,-0.049385222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.62380167,10.7179988,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.358999399,-0.024692611,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.225516508,0.530191116,0,0,0,0,0,0,0,0,0,0,2.278758948,0,0.564121315,0,0,0,0.807364592,0,0,-0.024692611,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.81190084,5.358999399,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.81190084,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.567178288,0.530191116,0,0,0,0,0,0,0,0,0,0,2.278758948,0,1.324508635,0,0,0,0.807364592,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.81190084,5.358999399,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,71,1.972222222,0.567178288,11.81190084,-0.065910764,-0.024692611,17.15222781,1.691359278,4.811900835,28.91367252,1.691359278,4.811900835,28.91367252,17.33332,0.48148,0,0.01852,0.47823,0.78519,0.43091,0.47823,0.78519,0.04732,0,-0.04732,0,0.61321,0.10108,0,0.15385,0.11538,0,22,0.61111,19,0.52778,3,0.08333,-16,-0.44444,0,0,53.03749,1.47326,63.02782,9.99033,0.27751,15.29843,0.42496,17.41356,2.11513,0.05875,0.50044,0.0139,0.50044,0.0139,0,35.04,4,4,4,4,0,0,0.9375,1.133483607,1.761661547,3.010631857,3.76138854,4.155326681,4.020037079,111.0813935,172.6428316,295.041922,368.6160769,407.2220147,393.9636337,0.171358024,0.266324841,0.455141938,0.56863999,0.628194853,0.607742013,5.481226237,4.853048297,3.604077987,2.853321304,2.459383163,2.594672765,0.170979429,0.265736428,0.454136356,0.567383648,0.626806931,0.60639928,9.760902332,17.46209535,21.76450406,24.68625392,25.08327464,23.23985497,133.1681037,95.74546879,78.79528763,60.77881728,56.26428921,65.69358128,36,28.01939058,31.14122449,36,3,12,4.54,4.7662,0.482577189,7.678663495,1.795911144,0,0,11.31500008,0,0.406532529,0,0,0.076923077,0.784464541,0.076923077,0,0,0,0,0,0,0.003,0.799,0.788,0.911,0.09,16.466,38,35,34,33,32,31,30,29,28,361,3.63758616,3.761200116,3.688879454,3.663561646,3.63758616,3.610917913,3.583518938,3.555348061,3.526360525,3.496507561,5.991464547,1.105263158,0.483870968,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,29,0.828571429,33,0.942857143,2,16,31,0.9375,4.5,1.555555556,0.875,0.56,0.388888889,0.285714286,0.21875,0.172839506,0.1,0.148760331,0.128571429,0.040935673,0.025,0.016470588,0.011784512,0.008928571,0.007056452,0.005761317,0.003448276,0.005312869,0.283176183,416.3142171,656.7923592,832.6284342,23.12856762,416.3142171,1.94E-16,5.40E-18,-130.2378652,442.6615615,12.29615449,21.93409983,52.6,591.9159561,6.169925001,4.990432587,5.680172609,6.408528791,7.107425474,7.835579247,8.538758969,9.266626183,9.972500424,10.70020615,141.5002304,4.262679877,0,5.407171771,0,6.665683718,0,7.976251944,0,9.316590492,9.625293658,510.4648105,5.208824597,70.134361,1.948176695,10.99252679,10.99252679,0,7198,35,13.468,146,1.247845361,2.152244832,2.885233432,3.609790395,4.851893914,5.888330321,7.128554409,8.239328498,9.47315922,10.61012396,89.90167638,93.87364304,91.05944169,115.7434076,156.8887605,191.3185634,226.2803879,262.3420194,303.085419,330.149289,298.984326,354.5839066,374.1795254,468.3032325,631.5277375,769.4299677,911.4045183,1053.249525,1188.647764,1324.788008,9.311522655,15.8189599,20.85054838,26.21434603,35.38979153,43.01712378,52.10774364,60.32132273,69.45971844,78.53235964,2.170267262,2.803673421,3.095329717,3.85037663,5.169959413,6.293797358,7.473353772,8.626205976,9.721341601,10.75643618,179.1108199,332.4688871,469.212968,588.0380471,790.8776388,958.1685664,1165.30846,1346.675906,1551.936663,1756.075791,2.785337629,4.50209845,5.232498756,6.712062927,9.346498107,11.43566119,13.96049718,16.26734703,19.28351026,21.58541522,0.46577018,0.616222222,0.688832876,0.863127371,1.164420263,1.420351339,1.693309716,1.959655048,2.231328344,2.473961537,1172.458119,2923.756427,36.18226103,255.5559142,-637.2792634,-32.26842107,916.9022048,3561.03569,68.4506821,0.821041034,2.047428358,0.025337469,0.178958966,-0.446269608,-0.022596711,1674.286647,4175.165207,51.6687765,364.9374317,-910.0437312,-46.07975812,0.104844091,0.12656274,0.751762803,1.470580159,1335.079096,92.93493749,0.934920151,0.065079849,2475.682133,49.75622708,13.52793873,3076.27837,55.46420801,14.54371015,4755.229129,68.95816941,16.81604326,5.162786609,5.162786609,68217.49456,67973.33553,402.2255443,1.003591982,169.600105,168.9930849,12.30989437,20.21505409,39.16418081,0.937376998,17.31828643,28.50485962,12.47216914,131.2151191,43.27481102,9.49344194,31.33615062,25.09890265,91.02461844,6.607432551,15.07142506,73.26127288,16.11561143,73.10704981,4.512903182,39.29961259,27.32719424,17.6657127,34.56948595,3.991228546,78.97844707,9.526461554,24.86970686,8.822256751,5.915292509,99.96087932,12.58575593,35.33206006,1.200825218,3.865508666,1.486418814,28.80596575,1.015556015,33.14835719,1.439799106,3.555924164,4.970291132,1.465723409,23.17937046,0.251983058,9.742952584,7.438248384,1.470245238,16.42489568,0.145353059,14.39711027,4.592413864,2.318420753,9.77768837,0.29490084,18.39540184,2.707239496,4.72209804,3.074201568,0.284846193,16.91419441,2.320177221,6.827621666,0.160030872,0.082856414,4.703506253,28.2438573,2.784131495,39.73757196,4.256722398,3.822474956,8.409691401,3.97863904,30.13766458,1.012277913,9.465461224,16.44813867,3.048600833,23.52141835,0.62299867,17.68080624,6.656808123,3.691454811,11.71402127,0.824139591,27.03400717,2.27930403,7.228079917,3.173391824,0.753626125,28.95935479,2.229432797,10.23281587,0.230405889,0.425225194,16.35727989,28.80589722,12.69403577,124.1391642,38.99770374,9.093563213,31.6036547,23.8999483,89.08133418,6.028398174,15.0174311,69.07894974,14.99107245,71.06146014,4.099113477,38.35447565,27.02679662,16.10986677,35.15128052,4.04332054,76.46134957,10.31818964,23.44367551,9.696408167,6.038673275,94.7092411,12.35748466,32.86068872,1.153929443,3.482281712,6.916939325,28.03032581,3.885366115,47.75056637,7.816820167,4.301523371,10.87982665,6.127652206,36.1393035,1.693639472,9.718269039,23.84464224,4.482663306,29.24776568,1.073772339,20.50699456,8.50366461,5.155891817,13.61241846,1.163544981,33.90610804,2.322468284,9.332506078,3.357461291,1.097773762,38.60132259,3.078063973,13.31108005,0.33646793,0.787939965,20.91438501,28.69618248,16.3251026,175.1892295,62.60323271,12.07013741,40.36126352,34.64535839,117.5683523,8.967057627,17.63939842,94.81587038,21.91830938,92.91136479,6.211219866,46.57121316,36.52483533,24.15273079,44.04417629,5.30679858,97.3302077,13.30469193,32.2707455,11.33476436,8.538748997,125.9831686,17.32361058,45.77479474,1.604418948,5.45801543,11.39780291,28.08071634,9.984794202,95.00765513,20.79431388,7.08230138,27.85466281,19.84763744,77.91129259,3.486249834,13.26426116,50.82507852,10.35935921,61.73768266,2.15298286,30.2704151,28.65460355,8.885115267,39.15463888,4.604659428,57.19988674,19.20108845,16.98816604,17.19370112,7.547426515,64.31887712,26.15189399,21.18457642,1.191381171,1.73144339,147.7825731,1.040712043,0.575264552,0.989183452,0.006966012,0.584681288,0.460809779,0.452677458,149.3985497,239.4118641,477.2855862,0.983775178,1.498168525,133.0092734,0.632987481,0.154767289,0.994112315,0.004730953,0.473737295,0.171445875,0.03497136,133.7970281,104.8766553,251.7040374,0.991168472,0.68015453,142.0930333,0.750157408,0.32103438,0.992517741,0.005239838,0.540562255,0.239109317,0.144120747,143.164225,152.4497167,329.8336838,0.988776612,0.92379232,146.1654427,1.036825111,0.558112285,0.98920592,0.007016936,0.571965707,0.4589175,0.43152057,147.7603801,233.7033953,466.0445767,0.98380888,1.462403778,145.4775641,0.819435685,0.399609677,0.991690024,0.005585921,0.566596251,0.283954435,0.218120466,146.6966095,177.6712043,372.0050865,0.987535035,1.068671152,148.1011716,1.081464034,0.60666859,0.988729952,0.007219902,0.58720365,0.498243785,0.503975208,149.7893043,250.6705098,497.6275503,0.983094928,1.589422644,146.5767367,1.049200719,0.561831329,0.989128441,0.007080211,0.575190197,0.470087138,0.437673569,148.1877687,236.7292941,471.3202139,0.983692662,1.482950904 +UMLPP0015,L,Iso-tridecyl Adipate,CC(C)CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCC(C)C,UML,,-51,0,-3.6164,13.07834896,120.9542,100.869166,0,0,98,36,62,0,32,0,4,0,0,0,0,0,0,0,5703.319844,6087.282899,7425.709518,7156.209867,6901.029458,6685.983577,6489.226848,6615.42696,6023.254318,16345.29612,21212.03738,29022.76274,31488.25111,30116.51026,28550.20452,27543.40618,26541.94223,25581.31686,711.248144,720.171452,1375.811112,1909.245996,1946.640392,1762.82314,1699.93824,1637.440224,1580.617336,119.3836161,157.9538872,233.6244586,268.2917549,257.8282502,240.803689,231.7821602,224.7194723,217.472039,16264.11896,14090.69426,29336.04605,43432.63139,44925.13112,40117.65823,38638.70307,37285.66069,36291.14996,263.6111111,211.0833333,380.5,470.9166667,484.6666667,454.4444444,444.5,478.25,389.6666667,58.19714127,62.7554938,39.49845488,27.00456554,25.55936836,27.51433571,27.73173867,29.27180071,27.37842872,166.7887359,218.6807977,154.3763976,118.8235891,111.5426306,117.4905536,117.706864,117.4422223,116.278713,7.257634122,7.424447959,7.318144213,7.204701872,7.20977923,7.254416214,7.264693333,7.245310726,7.184624255,1.218200164,1.62839059,1.242683291,1.012421717,0.954919445,0.990961683,0.990522052,0.994333948,0.988509268,165.9603976,145.2648892,156.0427982,163.8967222,166.3893745,165.0932437,165.1226627,164.9807995,164.9597725,2.689909297,2.176116838,2.02393617,1.777044025,1.795061728,1.870141747,1.89957265,2.116150442,1.771212121,0.611438354,-0.323348794,0.080484527,-0.028615212,0.023684779,0.013857355,-0.377899075,0.391162977,-0.007516321,3040.446453,8.006323498,-630.1103646,-314.8112936,233.146128,-87.6795669,-90.27515093,444.6129269,294.4550238,4813.848358,-208.9532928,-1628.046375,-661.2866045,483.8185899,-17.17115272,-17.83107474,54.40386283,160.9020908,4.411114776,0.105982885,1.666716145,-0.312264158,-0.430346586,-0.604257005,-0.620360097,3.622116538,0.12032732,21.4052829,-1.612360067,-7.54115892,-3.389193197,1.993965261,-0.003208485,-0.003223833,0.156518152,-0.535804536,117.9387776,-9.911218934,-40.55381114,-19.30142548,10.2982195,-0.174408565,-0.176920385,2.427765822,-5.107854333,83.11111111,0.693877551,24.67006803,-5.925170068,-8.75170068,-11.34637188,-8.914965986,58.05272109,-0.414965986,0.006239167,-0.003333493,4.28E-04,-1.08E-04,8.77E-05,5.70E-05,-0.001614953,0.00173081,-3.42E-05,31.0249638,0.082539418,-3.351650876,-1.187967146,0.863504178,-0.360821263,-0.385791243,1.967313836,1.338431927,49.12090162,-2.154157658,-8.659821145,-2.495421149,1.791920703,-0.07066318,-0.076201174,0.240725057,0.73137314,0.045011375,0.001092607,0.008865511,-0.001178355,-0.001593876,-0.002486654,-0.002651112,0.016027064,5.47E-04,0.218421254,-0.016622269,-0.040112547,-0.012789408,0.007385057,-1.32E-05,-1.38E-05,6.93E-04,-0.002435475,1.203456914,-0.102177515,-0.215711761,-0.072835568,0.038141554,-7.18E-04,-7.56E-04,0.010742327,-0.02321752,0.848072562,0.007153377,0.131223766,-0.022359132,-0.032413706,-0.046692888,-0.038098145,0.256870447,-0.001886209,-0.534284911,0.068616403,-0.017307108,0.014059794,0.009140027,-0.25884118,0.277410377,-0.005475907,0.002660419,-0.108030775,-0.038290686,0.02783256,-0.01163003,-0.012434865,0.063410673,0.043140483,-0.043854196,-0.176296054,-0.050801615,0.036479801,-0.001438556,-0.001551298,0.004900664,0.014889245,0.024274021,0.196961576,-0.026179056,-0.035410521,-0.05524502,-0.058898701,0.356066977,0.012151203,-0.076101883,-0.183647638,-0.058553863,0.033811071,-6.05E-05,-6.31E-05,0.003170745,-0.011150358,-0.084903343,-0.179243444,-0.060521957,0.031693327,-5.96E-04,-6.28E-04,0.008926225,-0.019292356,0.008434864,0.154731767,-0.026364645,-0.03822044,-0.055057657,-0.044923214,0.302887346,-0.002224113,1.607947182,0.950858092,1.012268235,1.030754673,1.141200018,1.39668626,0.731559718,1.00724622,1.250065992,1.214324919,1.029918861,0.949513208,1.023225422,1.029568329,0.934627253,0.929617078,1.471233681,1.356092098,1.058531418,0.916973655,0.981523304,0.980501875,0.979306318,0.97108545,0.727387104,0.705719251,0.951305248,1.10194873,1.220095193,1.262564559,0.707856636,0.887237939,1.563138641,1.389611827,1.068812889,0.914501735,0.978576381,0.97723356,0.980145427,0.996453993,1.578371867,1.38837443,1.070086738,0.917048351,0.98193586,0.981272535,0.975541663,1.002835762,0.58790107,0.484917226,0.831659267,1.099390969,1.21901064,1.249270133,0.756270408,0.893017744,790.1140882,395.5570441,618.5017289,791.0585326,21.97384813,395.5570441,1,6.38E-16,1.77E-17,-125.9553626,446.9464052,12.41517792,21.96877928,790.2167851,395.6069237,618.5874743,791.1584551,21.97662375,395.6069237,0.997062316,1.50E-15,4.16E-17,-122.8827992,446.9782185,12.41606162,21.96903551,881.0944335,439.7492278,694.7466342,879.5871211,24.43297559,439.7492278,-1.595977912,6.94E-16,1.93E-17,-125.6551888,477.6694375,13.26859549,22.20810818,790.3245669,395.659273,618.677466,791.263325,21.97953681,395.659273,0.993979201,1.67E-15,4.63E-17,-122.5035013,447.0116155,12.41698932,21.96930449,977.2969963,486.4839096,775.8293704,973.208329,27.0335647,486.4839096,-4.329177057,1.30E-15,3.62E-17,-123.3826104,513.8140673,14.27261298,22.47070127,800.8659883,400.7792625,627.4833182,801.5200508,22.26444586,400.7792625,0.692536744,9.99E-16,2.78E-17,-124.3424736,450.3197239,12.50888122,21.99584818,799.6147262,400.0512117,621.1332674,801.2880893,22.25800248,400.0512117,2.316964286,8.05E-16,2.24E-17,-125.1208768,435.0895869,12.08582186,21.87198704,0,11.89,15.99794694,-0.316609246,0.262700588,4.342234375,7.651653521,35,97,95,95,33,2,2,0,0,2,73.526834,3.610451911,3.557816147,3.541558179,3.503306083,3.435534005,3.394498516,3.259909829,3.214356264,1.949767676,1.949496817,1.876852048,1.870883622,1.841861237,1.733454918,1.725943291,1.563006363,3.578586066,3.575853401,3.534411097,3.481879359,3.460448691,3.332876782,3.281780998,3.202692895,1.894145453,1.8925979,1.843184855,1.816398974,1.793287736,1.688117565,1.662004417,1.554506961,3.712607423,3.698682537,3.679783989,3.624589837,3.589694047,3.512429938,3.431733918,3.37094006,1.720003174,1.71915169,1.654003338,1.628832696,1.608855736,1.472813561,1.451873399,1.324542354,3.596502213,3.595353252,3.535043896,3.498237623,3.47978922,3.332868283,3.303143753,3.1958113,1.863175372,1.857075775,1.829250823,1.786236042,1.757319147,1.67278482,1.621245138,1.545721364,3.758814584,3.75502133,3.719604157,3.674538005,3.64939993,3.546112513,3.49828194,3.416877604,1.667127006,1.665437537,1.614037552,1.574658069,1.554122071,1.423727991,1.38871727,1.290506879,5.15252206,5.150504374,3.627783446,3.627460478,3.570422957,3.567335164,3.444740203,3.427436946,1.812654792,1.812528899,1.713959154,1.711132726,1.675435867,1.541441971,1.537981806,1.323965685,0,0,2,0,0,6,22,2,0,0,0,0,0,0,0,0,0,0,0,1.39384685,0,0,0,0.934347711,0,0,0,1.39384685,1.274273694,1.105171716,0.744016936,0.585024986,0.455341801,26.69417739,17.41359136,13.80115575,8.600642529,5.839917704,3.962778743,2.646799113,1.871569601,0.741504927,0.497531182,0.363188309,0.245732644,0.171762285,0.120084204,0.082712472,0.05848655,24.75825645,15.72685129,11.66994536,6.889525065,4.485637374,2.909609983,1.866327369,1.200275013,0.687729346,0.449338608,0.307103825,0.196843573,0.131930511,0.088169999,0.05832273,0.037508594,51.65585834,95.84559359,90.88627451,92.16,58.67614731,753.2366862,0.527100595,0.978016261,0.927410964,0.940408163,0.598736197,7.686088635,9.967,153.168,414.1764119,649.3938967,828.3528238,23.00980066,414.1764119,6.94E-16,1.93E-17,-125.6551888,458.12942,12.72581722,22.05774619,1638,0,0,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,30,2,0,0,0,0,0,0,0,0,0,0,4,0,24,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,34.30919417,-0.262144973,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.559563954,1.17,0,0,0,0,0,0,0,0,0,0,9.18226754,0,26.10821452,0,0,0,1.662468736,0,0,-0.262144973,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.66068234,10.64851183,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.324255916,-0.131072486,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.219065746,0.585,0,0,0,0,0,0,0,0,0,0,2.295566885,0,0.403896177,0,0,0,0.831234368,0,0,-0.131072486,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83034117,5.324255916,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83034117,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.587586806,0.585,0,0,0,0,0,0,0,0,0,0,2.295566885,0,1.368867589,0,0,0,0.831234368,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83034117,5.324255916,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,71,1.972222222,0.587586806,11.83034117,-0.060563133,-0.131072486,17.29441063,1.797739153,4.830341172,28.98292343,1.797739153,4.830341172,28.98292343,17.33332,0.48148,0,0.01852,0.47823,0.78519,0.43091,0.47823,0.78519,0.04732,0,-0.04732,0,0.61321,0.10108,0,0.15385,0.11538,0,22,0.61111,19,0.52778,3,0.08333,-16,-0.44444,0,0,53.00108,1.47225,63.15731,10.15624,0.28212,15.29843,0.42496,17.41356,2.11513,0.05875,0.50044,0.0139,0.50044,0.0139,0,35.04,4,4,4,4,0,0,0.9375,1.133483607,1.761661547,3.010631857,3.687722408,3.992588549,4.111674324,111.0813935,172.6428316,295.041922,361.3967959,391.2736778,402.9440837,0.171358024,0.266324841,0.455141938,0.557503276,0.603592394,0.621595568,5.481226237,4.853048297,3.604077987,2.926987436,2.622121295,2.50303552,0.170979429,0.265736428,0.454136356,0.556271539,0.602258828,0.620222227,9.760902332,17.46209535,21.76450406,23.80226033,24.74991909,24.67818989,133.1681037,95.74546879,78.79528763,65.39991354,59.2547565,59.2844563,36,28.01939058,31.14122449,36,3,12,4.54,4.7662,0.482577189,7.758838787,1.747976963,0,0,11.45211832,0,0.444678905,0,0,0.142857143,1.069044968,0.142857143,0,0,0,0,0,0,0.003,0.799,0.788,0.911,0.09,16.466,38,35,34,33,32,32,30,29,28,362,3.63758616,3.761200116,3.688879454,3.663561646,3.63758616,3.610917913,3.688879454,3.555348061,3.526360525,3.496507561,6.001414878,1.113259669,0.483870968,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,29,0.828571429,33,0.942857143,2,16,31,0.9375,4.5,1.555555556,0.875,0.56,0.333333333,0.326530612,0.21875,0.172839506,0.14,0.115702479,0.128571429,0.040935673,0.025,0.016470588,0.01010101,0.010204082,0.006835938,0.005761317,0.004827586,0.004132231,0.28365321,414.1764119,649.3938967,828.3528238,23.00980066,414.1764119,6.94E-16,1.93E-17,-125.6551888,458.12942,12.72581722,22.05774619,52.6,591.9159561,6.169925001,4.990432587,5.680172609,6.408528791,7.107425474,7.835579247,8.539150359,9.267004219,9.973806211,10.70155765,141.5036571,4.262679877,0,5.407171771,0,6.665683718,0,7.976251944,0,9.316590492,9.625293658,510.4648105,5.208824597,70.13438722,1.948177423,10.9923089,10.9923089,0,7144,35,13.468,146,1.247845361,2.152244832,2.885233432,3.609790395,4.851894898,5.88839062,7.127853435,8.234880585,9.479096556,10.64033827,89.90167638,93.87364304,91.05944169,115.7434076,156.8888625,191.2709364,235.2398903,254.5404952,292.8140075,336.1943807,298.984326,354.5839066,374.1795254,468.3032325,631.5280491,769.456495,907.964596,1037.222737,1180.890578,1342.840081,9.311522655,15.8189599,20.85054838,26.21434603,35.38979874,43.01733911,51.88846419,59.44410016,69.33465027,78.08057919,2.170267262,2.803673421,3.095329717,3.85037663,5.169961542,6.294316778,7.511105136,8.620365251,9.715402179,10.9899814,179.1108199,332.4688871,469.212968,588.0380471,790.8777776,958.1694064,1163.829575,1343.708571,1556.793415,1744.097617,2.785337629,4.50209845,5.232498756,6.712062927,9.347178562,11.50133347,15.4449473,14.98560185,18.70400265,21.43701356,0.46577018,0.616222222,0.688832876,0.863127371,1.164420696,1.420384636,1.68667727,1.931010535,2.213089845,2.511098813,1199.222132,2990.52981,39.18463388,254.0902385,-633.631095,-32.25958708,945.1318937,3624.160905,71.44422096,0.825164745,2.057733678,0.026962293,0.174835255,-0.435990987,-0.022197284,1742.84436,4346.173968,56.94751315,369.2724869,-920.8639088,-46.88325698,0.104843039,0.126561384,1.503510518,1.618341717,1350.836081,102.4762898,0.929487774,0.070512226,2475.682133,49.75622708,13.52793873,3076.27837,55.46420801,14.54371015,4766.582292,69.04043954,16.82941546,6.419599238,6.419599238,66759.18487,66546.60197,379.0913309,1.003194497,176.1031694,175.5423998,12.1022779,20.17864,39.14850849,0.940096482,17.31828643,28.50485962,12.47216914,131.2151191,43.27481102,9.49344194,31.33618015,25.11910176,90.80044829,6.567499021,15.07337678,75.26770175,16.23577036,77.76301122,4.725332341,37.41922157,34.9152118,25.95260293,52.34816933,7.560459755,58.00584407,14.76055416,31.28579061,23.51494259,8.667828602,68.67490461,2.78535367,39.48382202,2.588856969,9.932314112,1.486418814,28.80596575,1.015556015,33.14835719,1.439799106,3.555924164,4.97029134,1.465865673,23.17706553,0.251702324,9.748732047,7.475377777,3.13343017,16.90739553,0.146875613,12.56022132,3.43613451,6.753256783,10.86160045,0.445308471,12.70176738,1.321038858,8.015835578,6.157562712,1.546394232,12.12262097,0.282270993,9.250284809,0.787627709,3.32692318,4.703506253,28.2438573,2.784131495,39.73757196,4.256722398,3.822474956,8.409693569,3.980121541,30.11240082,1.009347548,9.47088789,16.70877223,3.398134736,24.39837689,0.638596238,16.30937084,7.080418147,7.070439573,16.77714728,1.340814869,19.29312079,2.834473371,8.926008658,8.658043355,2.474822613,19.41376674,0.625469023,11.18357422,0.690031063,4.240099643,16.35727989,28.80589722,12.69403577,124.1391642,38.99770374,9.093563213,31.60368101,23.91794535,88.89477067,5.992820066,15.01827944,70.8904322,15.67969047,74.70248214,4.288397195,36.11226956,33.31142669,26.71724079,49.89253876,6.953495876,55.45468957,14.03716277,31.72622419,22.65933305,8.181420111,65.66439498,3.151319662,40.15097889,2.727198991,10.1387916,6.916939325,28.03032581,3.885366115,47.75056637,7.816820167,4.301523371,10.87983136,6.130872396,36.08756104,1.687273203,9.723703885,24.31108935,4.548979465,30.88531691,1.107639301,19.32341285,10.08673657,7.93075902,21.43710512,2.121811456,24.6445081,4.103988601,10.2741455,10.59521222,3.245997359,25.6148324,0.764393893,13.12298397,0.734295065,4.821581776,20.91438501,28.69618248,16.3251026,175.1892295,62.60323271,12.07013741,40.36130658,34.6748169,117.2598287,8.908818493,17.6393656,97.58888899,22.09416243,98.89925923,6.521027942,44.44952351,47.09491215,35.31633993,65.90836648,10.09504633,71.42297814,20.04466715,41.91830959,29.09043317,11.15346149,87.08483595,3.78769178,52.72392917,3.502424442,12.27257999,11.39780291,28.08071634,9.984794202,95.00765513,20.79431388,7.08230138,27.8546749,19.855911,77.88891371,3.469906279,13.26564458,51.97513534,27.76378016,61.56107456,2.240062422,29.11986785,28.02354533,27.26550825,37.960841,3.942639169,42.74913063,11.76996955,31.41818357,19.54171272,5.31577375,51.51618067,5.111973342,38.27165214,4.553258891,8.556661584,149.8766129,0.99714451,0.585893157,0.989548123,0.006583565,0.597732764,0.508260205,0.463663601,151.4596506,237.8445437,476.8651308,0.984322184,1.56965657,130.2084879,0.57940426,0.163036247,0.994330391,0.004424591,0.451169895,0.182629535,0.037763114,130.9509285,96.76651973,240.0174493,0.991495587,0.671562545,142.8012163,0.703851844,0.330557863,0.99280839,0.004893446,0.542639925,0.256708026,0.150461001,143.835626,147.9476281,325.0079222,0.989212585,0.949808952,147.5726987,0.99091923,0.568728386,0.989541856,0.006644563,0.579498846,0.506732487,0.442444543,149.1323463,230.7249716,463.0239626,0.984312783,1.528675875,147.3968225,0.776521733,0.409467398,0.992017992,0.005226188,0.578122894,0.307085273,0.225835739,148.5828116,175.1289897,370.5781441,0.988026989,1.111043907,150.1814214,1.037621461,0.617436316,0.989099736,0.006833809,0.600165597,0.551054702,0.515579699,151.8364792,249.1995946,497.25208,0.983649603,1.666799998,148.0822048,1.001960659,0.572725731,0.989478023,0.006695052,0.583507163,0.518920581,0.449312626,149.6568912,233.7568812,468.3905458,0.984217034,1.55174037 +UMLPP0016,L,Iso-tridecyl Azelate,CC(C)CCCCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCCCCC(C)C,UML,,-55,0,-4.4804,20.07398416,129.689,110.149924,0,0,107,39,68,0,35,0,4,0,0,0,0,0,0,0,6142.208591,6592.71779,8006.835129,7746.480054,7491.299645,7276.253764,7079.497035,6882.740306,6685.983577,17802.34929,23171.00778,31763.40408,34508.64614,33136.9053,31570.59955,30563.80121,29557.00286,28550.20452,774.180476,785.498792,1503.999636,2097.900696,2135.295092,1951.47784,1888.59294,1825.70804,1762.82314,130.4179935,173.0018531,256.6875291,295.3563415,284.8928367,267.8682756,258.8467467,249.8252179,240.803689,17754.00794,15389.81261,32108.65265,47869.49686,49361.99658,44554.52369,43075.56854,41596.61338,40117.65823,276.3611111,226.8333333,408.25,507.6666667,521.4166667,491.1666667,478.9166667,466.6666667,454.4444444,57.40381861,62.19545085,38.86813169,26.52904128,25.22323113,26.94908801,27.12450971,27.31246153,27.51433571,166.3770962,218.594413,154.1912819,118.180295,111.5720717,116.9281465,117.1026866,117.2896939,117.4905536,7.235331551,7.410365962,7.300969107,7.184591425,7.189545764,7.227695704,7.235988276,7.244873175,7.254416214,1.218859753,1.632092954,1.246055966,1.01149432,0.959235141,0.992104724,0.991749988,0.991369912,0.990961683,165.9253079,145.1869114,155.8672459,163.9366331,166.2020087,165.0167544,165.0404925,165.0659261,165.0932437,2.582814123,2.139937107,1.981796117,1.738584475,1.755611672,1.819135802,1.834929757,1.851851852,1.870141747,0.624144065,-0.323528553,0.072191059,-0.041910061,-0.02426106,0.004131862,0.013864433,0.048189011,0.011837745,3284.955735,7.750397184,-753.3684804,-305.3955769,234.4351686,-79.17156167,-81.34886877,-83.52617587,-85.70348297,5264.7076,-209.6644944,-1856.387451,-657.4568266,481.1310393,-15.43876471,-15.99234066,-16.54591662,-17.09949258,4.473295402,0.112001789,1.660672142,-0.270752461,-0.386851499,-0.54640193,-0.559910018,-0.573418105,-0.586926193,23.41814553,-1.612022185,-8.546200874,-3.389891733,1.99555673,-0.002931912,-0.002944787,-0.002957662,-0.002970536,128.8749035,-9.900167155,-45.97639192,-19.3174235,10.35219768,-0.158642164,-0.160749206,-0.162856247,-0.164963289,83.91017653,0.843916499,24.60569336,-5.16816607,-7.906440155,-10.27490028,-10.54881067,-10.82272105,-11.06885366,0.005833122,-0.003052156,3.50E-04,-1.44E-04,-8.17E-05,1.53E-05,5.31E-05,1.91E-04,4.87E-05,30.70052088,0.073116955,-3.657128545,-1.045875263,0.789344002,-0.293228006,-0.31168149,-0.331453079,-0.35268923,49.20287476,-1.977966928,-9.01158957,-2.251564475,1.619969829,-0.05718061,-0.061273336,-0.065658399,-0.070368282,0.041806499,0.001056621,0.008061515,-9.27E-04,-0.00130253,-0.002023711,-0.002145249,-0.002275469,-0.002415334,0.218861173,-0.015207756,-0.041486412,-0.011609218,0.006719046,-1.09E-05,-1.13E-05,-1.17E-05,-1.22E-05,1.20443835,-0.093397803,-0.223186369,-0.06615556,0.034855884,-5.88E-04,-6.16E-04,-6.46E-04,-6.79E-04,0.784207257,0.007961476,0.119445113,-0.017699199,-0.026621011,-0.038055186,-0.040416899,-0.042947306,-0.045550838,-0.523245718,0.060077953,-0.024605623,-0.014004005,0.002623499,0.00910669,0.032782828,0.008351446,0.002381619,-0.119122687,-0.03406702,0.025711095,-0.009551239,-0.010152319,-0.010796334,-0.011488054,-0.040200231,-0.183151688,-0.045760832,0.032924292,-0.00116214,-0.00124532,-0.001334442,-0.001430166,0.025274076,0.192829235,-0.022179194,-0.031156168,-0.048406609,-0.051313771,-0.054428587,-0.05777413,-0.069485858,-0.189555833,-0.053043754,0.030700038,-4.96E-05,-5.16E-05,-5.36E-05,-5.59E-05,-0.077544694,-0.185303273,-0.054926481,0.028939534,-4.88E-04,-5.11E-04,-5.37E-04,-5.64E-04,0.010152261,0.152313196,-0.022569542,-0.033946397,-0.04852695,-0.051538543,-0.054765249,-0.058085203,1.606019771,0.962000514,1.013347188,1.051806152,1.127471608,1.151792351,1.161851336,1.22310036,1.26758382,1.234686007,1.025655999,0.951993612,1.018255221,1.023431863,1.028978266,1.034935514,1.473524965,1.368629428,1.053022988,0.924515579,0.983391349,0.982567821,0.981685469,0.980737759,0.73318118,0.710397125,0.941879217,1.090855507,1.195778253,1.232705637,1.272270692,1.314766491,1.557710778,1.399421792,1.062479837,0.922443564,0.980943599,0.979861321,0.978701738,0.977456259,1.571694574,1.398093057,1.063585362,0.92456276,0.983711241,0.983175979,0.982602484,0.981986507,0.591240695,0.48819991,0.823423453,1.088157878,1.194634304,1.23340856,1.274952406,1.319429169,939.9641011,470.4820506,738.5798708,940.9128191,24.12596972,470.4820506,1,2.75E-15,7.05E-17,-130.7591028,2000334.874,51290.6378,56.58441813,940.0726651,470.5348637,738.668573,941.0185961,24.12868195,470.5348637,0.997062316,2.78E-16,7.12E-18,-139.6999884,2000334.892,51290.63827,56.58441817,1036.079661,517.2418416,817.3484419,1034.565528,26.52732124,517.2418416,-1.595977912,2.22E-16,5.69E-18,-140.5702482,2000351.99,51291.07667,56.5844515,940.1866042,470.5902917,738.7616676,941.1296101,24.13152846,470.5902917,0.993979201,2.22E-16,5.69E-18,-140.5702482,2000334.911,51290.63876,56.5844182,1137.604397,566.6376098,900.9611266,1133.497229,29.0640315,566.6376098,-4.329177057,1.25E-15,3.20E-17,-133.8340865,2000371.616,51291.57989,56.58448976,951.3292936,476.0109151,747.8694379,951.9863156,24.40990553,476.0109151,0.692536744,6.11E-16,1.57E-17,-136.6250047,2000336.798,51290.68713,56.58442188,952.1563942,476.3085967,744.3173151,953.8801567,24.45846556,476.3085967,2.318163265,1.11E-16,2.85E-18,-143.2735222,2000327.05,51290.43719,56.58440288,0,11.89,15.99795,-0.316609247,0.262724626,4.348591797,7.652175061,38,106,104,104,36,2,2,0,0,2,80.086076,3.60304625,3.569670209,3.542725836,3.526987923,3.446935595,3.419333028,3.319756109,3.241066797,1.949845056,1.949568211,1.91090343,1.87161588,1.868601708,1.751521109,1.730817144,1.705955088,3.579605926,3.576312895,3.555525459,3.489480573,3.471797273,3.404170935,3.302047634,3.267289989,1.894652794,1.89292658,1.867337142,1.820001419,1.809015834,1.729409036,1.675648513,1.643779166,3.713905395,3.700462348,3.685931371,3.641145838,3.601957969,3.558811171,3.465194036,3.413850159,1.720283684,1.719341688,1.6875106,1.631367849,1.623770705,1.524939218,1.462573662,1.436864389,3.596900873,3.595588354,3.56647418,3.501953692,3.492099414,3.401660078,3.316441865,3.289624284,1.864646985,1.858059013,1.840957654,1.79557822,1.771009741,1.71680844,1.644954779,1.602531307,3.760056126,3.755665412,3.736481624,3.682411619,3.662516726,3.600029996,3.519475687,3.481131597,1.667730541,1.665766956,1.6403887,1.579454637,1.566920872,1.486665101,1.404418031,1.373662226,5.164710807,5.164663433,3.631092969,3.630867224,3.576154538,3.572101717,3.52281016,3.4347903,1.809651163,1.809516941,1.762487349,1.70840837,1.707167641,1.552715543,1.5373344,1.518728795,0,0,2,0,0,6,25,2,0,0,0,0,0,0,0,0,0,0,0,1.39384685,0,0,0,0.934347711,0,0,0,1.39384685,1.274273694,1.105171716,0.744016936,0.585024986,0.455341801,28.81549773,18.91359136,14.86181592,9.350642529,6.370247789,4.333569555,2.943468943,1.995908923,0.738858916,0.497726088,0.362483315,0.24606954,0.172168859,0.120376932,0.084099113,0.058703204,26.87957679,17.22685129,12.73060553,7.639525065,5.01596746,3.273886678,2.121991211,1.364005412,0.689219918,0.453338192,0.310502574,0.201040133,0.135566688,0.090941297,0.06062832,0.040117806,56.28134175,104.5091042,99.0627451,100.44,64.07181078,822.3214515,0.525993848,0.9767206,0.925820048,0.938691589,0.59880197,7.68524721,11.1373,167.019,490.1226688,770.4962309,980.2453376,25.13449584,490.1226688,7.77E-16,1.99E-17,-135.6844726,2000341.2,51290.80001,56.58443046,1954,0,0,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,33,2,0,0,0,0,0,0,0,0,0,0,4,0,27,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,34.51272638,-0.101169652,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.28077293,1.088368056,0,0,0,0,0,0,0,0,0,0,9.20520955,0,30.21027254,0,0,0,1.672961182,0,0,-0.101169652,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.75633699,10.75638939,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.378194693,-0.050584826,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.217518063,0.544184028,0,0,0,0,0,0,0,0,0,0,2.301302387,0,0.524358229,0,0,0,0.836480591,0,0,-0.050584826,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.8781685,5.378194693,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.8781685,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.573593893,0.544184028,0,0,0,0,0,0,0,0,0,0,2.301302387,0,1.376458672,0,0,0,0.836480591,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.8781685,5.378194693,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,75.5,1.935897436,0.573593893,11.8781685,-0.077980253,-0.050584826,19.26327532,1.717251493,4.878168495,29.43587185,1.717251493,4.878168495,29.43587185,18.83332,0.48291,0,0.01709,0.47445,0.77863,0.43109,0.47445,0.77863,0.04336,0,-0.04336,0,0.6202,0.09409,0,0.14159,0.10619,0,23.5,0.60256,20.5,0.52564,3,0.07692,-17.5,-0.44872,0,0,59.22451,1.51858,69.56631,10.3418,0.26517,16.79843,0.43073,18.91356,2.11513,0.05423,0.50044,0.01283,0.50044,0.01283,0,38.04,4,4,4,4,0,0,0.942857143,1.120229801,1.713528686,2.904174759,3.638223674,4.062618196,4.075135388,119.8645887,183.3475694,310.7466993,389.2899331,434.7001469,436.0394866,0.166170034,0.25417742,0.430792699,0.539678334,0.602631179,0.604487925,5.621237185,5.027938301,3.837292227,3.103243312,2.678848791,2.666331598,0.16583989,0.253672424,0.429936806,0.538606109,0.601433879,0.603286937,9.582196117,16.85112533,20.98456656,23.92619691,24.6152562,24.04133033,144.6782721,106.8930961,89.67813889,70.39050048,63.14211437,66.98708653,39,30.94705532,34.10526316,39,3,12,4.87,5.1889,0.453755575,7.970449659,1.642293734,0,0,11.76138962,0,0.383154716,0,0,0.1,0.894427191,0.1,0,0,0,0,0,0,0.003,0.799,0.788,0.911,0.09,17.963,41,38,37,36,35,34,33,32,32,395,3.713572067,3.828641396,3.761200116,3.737669618,3.713572067,3.688879454,3.663561646,3.63758616,3.610917913,3.688879454,6.079933195,1.103797468,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,32,0.842105263,36,0.947368421,2,17,34,1,4.5,1.555555556,0.875,0.56,0.388888889,0.285714286,0.21875,0.148148148,0.16,0.115702479,0.118421053,0.037940379,0.023026316,0.015135135,0.010802469,0.008163265,0.006433824,0.004489338,0.005,0.003615702,0.262840067,490.1226688,770.4962309,980.2453376,25.13449584,490.1226688,7.77E-16,1.99E-17,-135.6844726,2000341.2,51290.80001,56.58443046,52.6,643.80391,6.285402219,5.068904202,5.758901774,6.484635236,7.183111702,7.908754739,8.611229833,9.336708671,10.0417266,10.76719995,148.1611727,4.343805422,0,5.484796933,0,6.739336627,0,8.045908742,0,9.382359036,9.692519577,552.5117607,5.163661315,76.13433068,1.952162325,10.99431005,10.99431005,0,9164,38,15.175,158,1.248,2.153004299,2.884542805,3.611222493,4.862863935,5.898295068,7.147522344,8.259178683,9.502117317,10.64323082,89.24958973,92.45016265,89.79264202,114.6042446,154.2111795,187.7378102,221.735314,256.6018119,291.8954005,341.2337025,299.0824479,354.2348687,372.6721214,469.6521943,630.128545,767.5990171,909.0078095,1050.189215,1193.554762,1331.203662,9.294357186,15.7854207,20.78740142,26.15351003,35.33202338,42.91564736,52.01260188,60.1790098,69.29321844,77.40480846,2.176364692,2.811925071,3.094643161,3.876299229,5.188664144,6.317864768,7.50511477,8.664961015,9.855262655,11.07557248,179.0153332,332.2187598,469.1834203,587.301724,792.280414,959.0947229,1167.721492,1348.918171,1556.099649,1741.131875,2.740330189,4.405870532,5.119976104,6.577713553,9.108490268,11.12759159,13.55727396,15.7959501,18.42561989,22.86952495,0.465589528,0.615732777,0.685912974,0.864491132,1.162058245,1.41717494,1.689386359,1.954563369,2.229884711,2.489749029,1265.735048,3358.312192,40.41297808,252.0964725,-668.8751002,-33.20883853,1013.638576,4027.187292,73.62181661,0.833910109,2.21257244,0.02662547,0.166089891,-0.440678093,-0.021879134,1921.172553,5097.352102,61.34009198,382.6399723,-1015.239711,-50.40542189,0.098539317,0.118951921,1.413111463,1.521039425,1411.090715,106.7408055,0.929675459,0.070324541,2661.926841,51.59386437,13.85900459,3320.645294,57.62504051,14.91903831,5120.043023,71.55447591,17.2355258,7.481013187,7.481013187,87194.83763,86965.4791,421.7760639,1.002637351,206.7325415,206.1887493,12.94501033,21.45970868,42.8287815,0.995776464,18.99168975,31.35041154,13.36116666,146.1337524,49.19935997,9.493488862,33.71908985,25.51298507,104.1178141,6.699867807,15.07264329,86.90895147,16.44722718,90.95460651,4.72565736,40.00176983,37.26276156,19.28492344,53.92834239,7.452058565,81.6857332,14.66933966,29.53417968,23.59557038,6.071252809,98.59335648,2.78007994,43.1583118,2.60792943,4.614611272,1.626855959,31.65139136,1.081906811,36.18853499,1.481998138,3.555970702,5.337968334,1.468640892,26.41622693,0.252634169,9.744170812,8.375338043,1.472580837,19.87346865,0.146851505,14.40812874,4.875367238,2.323875948,12.74989533,0.326520168,19.630182,1.305336384,6.995499061,6.162515757,0.299403805,16.1008313,0.281742373,8.971137974,0.790504649,1.390623696,5.156854476,31.08929159,3.003760465,43.58118683,4.692763301,3.822521519,9.188681063,4.009033086,34.62148711,1.019062348,9.466679453,19.57280569,3.072939555,29.17966305,0.638613625,17.73800735,8.028361186,3.794892526,17.84547743,1.250986222,27.80527531,2.809938222,7.983641566,8.666621251,1.028022465,27.63690215,0.624548873,11.98324872,0.693344973,1.787119192,17.93683612,31.65143536,13.52749174,137.757077,44.27669515,9.093610093,33.86320493,24.26888902,101.3005274,6.110756379,15.01864933,81.80453866,15.28653612,87.76945982,4.28867362,38.98075168,35.81791132,17.54865352,52.01276356,6.828338851,78.81248107,13.90175207,28.58987525,22.73326662,5.656359458,93.87937023,3.145984133,42.01974153,2.747516066,5.033698419,7.585091194,30.87577113,4.214563129,52.62708609,8.762797916,4.301569967,11.94118293,6.193669512,41.70625059,1.708375971,9.719487268,28.59183695,4.53553026,36.63947485,1.107690106,20.62407446,10.94556125,5.395245972,22.21111302,2.042973605,35.04099138,4.084593984,9.842083771,10.60971514,1.639069287,36.99963676,0.763174763,14.8345699,0.738161869,1.963634174,22.93526186,31.54179231,17.42562661,195.5750458,71.24209118,12.07018451,43.20107489,35.2492552,134.2048363,9.101865492,17.64061666,112.0410838,22.40193979,115.2711977,6.521501838,47.59244076,50.0951771,26.53386083,67.86320908,9.97430337,100.3722379,19.91136347,39.54811898,29.20662477,8.163256447,124.7420837,3.78021133,57.26339817,3.529765088,5.942879647,12.51158858,30.91473553,10.58143359,103.3519766,23.38232745,7.13115998,29.57738449,20.15521873,86.25877759,3.548401719,13.35681647,59.00998293,10.56752785,72.89854294,2.255567206,30.77179349,32.93163967,9.583151798,46.92635355,3.808446872,64.95789514,11.44781242,25.18016607,19.7262978,3.364134335,70.99440847,5.140829805,33.28999157,4.616341385,4.860104228,177.2405163,0.987117298,0.615675167,0.991038007,0.005519453,0.589677486,0.555567934,0.514738651,178.8433088,284.6875077,571.2476072,0.986557011,1.659984072,157.2329106,0.596986571,0.17407336,0.995119996,0.003778301,0.464074516,0.203202138,0.040567731,158.0039705,121.3399167,295.6834462,0.992679995,0.707844385,169.9546565,0.704641105,0.352276698,0.993819612,0.004120429,0.542201722,0.283097206,0.167316926,171.0115743,179.8763308,393.0755187,0.990729419,0.992615854,174.9553948,0.985268071,0.596504773,0.991040001,0.00558108,0.574570805,0.553488312,0.4829931,176.5371677,277.3274094,556.6888555,0.986560002,1.611052218,174.5799913,0.769694577,0.435973195,0.993141262,0.004378597,0.572112537,0.337781995,0.256927325,175.7856591,210.8210354,445.1898394,0.989711893,1.166821857,177.5803904,1.02731212,0.647693639,0.990655758,0.005730997,0.591940324,0.601733889,0.570071455,179.2553961,298.1135601,595.5280224,0.985983637,1.763745668,175.4860266,0.996530261,0.600448979,0.990981748,0.005627475,0.578060741,0.566214013,0.489671553,177.0830058,280.845907,562.9337105,0.986472621,1.633946308 +UMLPP0017,L,Iso-tridecyl Sebacate,CC(C)CCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCC(C)C,UML,,-52,0,-4.7684,22.73763856,132.6006,113.24351,0,0,110,40,70,0,36,0,4,0,0,0,0,0,0,0,6288.50484,6761.196087,8200.543666,7943.236783,7688.056374,7473.010493,7276.253764,7079.497035,6882.740306,18288.03368,23823.99792,32676.95119,35515.44449,34143.70364,32577.3979,31570.59955,30563.80121,29557.00286,795.15792,807.274572,1546.729144,2160.785596,2198.179992,2014.36274,1951.47784,1888.59294,1825.70804,134.0961193,178.0178417,264.3752192,304.3778703,293.9143656,276.8898045,267.8682756,258.8467467,249.8252179,18250.6376,15822.85206,33032.85485,49348.45201,50840.95174,46033.47885,44554.52369,43075.56854,41596.61338,280.6111111,232.0833333,417.5,519.9166667,533.6666667,503.4166667,491.1666667,478.9166667,466.6666667,57.16822582,62.0293219,38.68180975,26.38949097,25.12436724,26.78498385,26.94908801,27.12450971,27.31246153,166.2548516,218.5687882,154.1365622,117.9915099,111.5807309,116.764867,116.9281465,117.1026866,117.2896939,7.228708364,7.406188734,7.295892189,7.178689688,7.183594745,7.219938136,7.227695704,7.235988276,7.244873175,1.21905563,1.633191208,1.247052921,1.011222161,0.960504463,0.992436575,0.992104724,0.991749988,0.991369912,165.9148873,145.1637804,155.8153531,163.9483456,166.1469011,164.9945478,165.0167544,165.0404925,165.0659261,2.551010101,2.129204893,1.969339623,1.727297896,1.744008715,1.804360812,1.819135802,1.834929757,1.851851852,0.628386901,-0.323528569,0.070069147,-0.041920963,-0.024428932,0.002381366,0.002488071,0.013370131,0.048307374,3366.372383,7.673608952,-794.3810929,-302.6221847,234.7991136,-76.68502143,-78.7451858,-80.80535018,-82.86551456,5414.972035,-209.8758996,-1932.385881,-656.3252931,480.3281228,-14.93448809,-15.45828075,-15.9820734,-16.50586606,4.493485964,0.113784345,1.657975852,-0.258566137,-0.37405179,-0.52946938,-0.542250711,-0.555032041,-0.567813371,24.08909923,-1.611921849,-8.881265163,-3.390099312,1.996029236,-0.002850016,-0.002862198,-0.00287438,-0.002886562,132.5201951,-9.896885872,-47.785537,-19.32219648,10.36820932,-0.153998807,-0.155992486,-0.157986165,-0.159979845,84.16565657,0.888374656,24.57669421,-4.946225895,-7.657796143,-9.953498623,-10.21267218,-10.47184573,-10.73101928,0.005712608,-0.002968152,3.31E-04,-1.39E-04,-7.98E-05,8.54E-06,9.22E-06,5.12E-05,1.92E-04,30.6033853,0.070400082,-3.747080627,-1.005389318,0.767317365,-0.274856708,-0.291648836,-0.309599043,-0.328831407,49.2270185,-1.925466968,-9.115027743,-2.180482701,1.569699748,-0.053528631,-0.057252892,-0.061233998,-0.065499468,0.040849872,0.001043893,0.007820641,-8.59E-04,-0.001222391,-0.00189774,-0.002008336,-0.00212656,-0.002253228,0.218991811,-0.014788274,-0.04189276,-0.011262788,0.006522971,-1.02E-05,-1.06E-05,-1.10E-05,-1.15E-05,1.204729047,-0.090797118,-0.225403476,-0.064193344,0.033883037,-5.52E-04,-5.78E-04,-6.05E-04,-6.35E-04,0.765142332,0.008150226,0.115927803,-0.016432644,-0.025025478,-0.035675622,-0.037824712,-0.040122014,-0.04258341,-0.519579132,0.057857083,-0.02437981,-0.013974897,0.001494127,0.001613112,0.00896728,0.033556638,0.002300402,-0.12244007,-0.032852226,0.025072957,-0.008981252,-0.009529953,-0.010116497,-0.010744936,-0.039114028,-0.185163108,-0.04429443,0.031886955,-0.001087383,-0.001163038,-0.00124391,-0.001330559,0.025554378,0.191448353,-0.021028798,-0.029923997,-0.046456442,-0.049163825,-0.052057924,-0.055158744,-0.06752889,-0.191298295,-0.051430181,0.029786371,-4.66E-05,-4.84E-05,-5.03E-05,-5.23E-05,-0.075367252,-0.187098897,-0.053284466,0.028125027,-4.58E-04,-4.80E-04,-5.02E-04,-5.27E-04,0.010651909,0.151511422,-0.021476585,-0.032706957,-0.046626125,-0.04943487,-0.052437321,-0.055654233,1.605303955,0.965154746,1.011385992,1.049985763,1.123407244,1.152632189,1.176721803,1.186585426,1.272890298,1.240840898,1.024450007,0.952786003,1.016890709,1.021749996,1.026944405,1.032509844,1.474209921,1.372336019,1.051409724,0.92673339,0.983932148,0.98316193,0.982338594,0.981456449,0.735164642,0.712065868,0.939177332,1.087604782,1.188732937,1.224095983,1.26189786,1.302399871,1.556103099,1.402315657,1.060620226,0.924773292,0.98162277,0.98061066,0.97952875,0.97836956,1.569714707,1.400967009,1.061678145,0.926773733,0.984227651,0.983726913,0.983191643,0.982618138,0.592416351,0.489382547,0.821068372,1.084863858,1.187529778,1.224715835,1.264466448,1.30705639,992.8293302,496.9146651,781.0318155,993.7793302,24.84448326,496.9146651,1,2.28E-15,5.69E-17,-134.8655027,521.9205954,13.04801488,25.03006184,992.9397272,496.9683948,781.1213018,993.8869364,24.84717341,496.9683948,0.997062316,2.03E-15,5.07E-17,-135.330542,521.963209,13.04908023,25.03038842,1090.551774,544.4778978,860.4821574,1089.035595,27.22588986,544.4778978,-1.595977912,2.78E-17,6.94E-19,-152.4923797,560.7100314,14.01775078,25.31681558,993.0555899,497.0247846,781.2152193,993.9998702,24.84999675,497.0247846,0.993979201,9.44E-16,2.36E-17,-138.3869376,522.0079359,13.0501984,25.03073116,1193.746045,594.7084342,944.7998666,1189.633327,29.74083318,594.7084342,-4.329177057,1.47E-15,3.68E-17,-136.6112121,603.4509518,15.0862738,25.61065906,1004.386166,502.5393515,790.4032528,1005.044076,25.1261019,502.5393515,0.692536744,1.53E-15,3.82E-17,-136.463047,526.3982771,13.15995693,25.06423243,1005.987833,503.2203356,787.9400872,1007.726722,25.19316805,503.2203356,2.318518519,1.47E-15,3.68E-17,-136.6112121,500.6867186,12.51716797,24.86392237,0,11.89,15.99795101,-0.316609247,0.262732813,4.349045898,7.652494186,39,109,107,107,37,2,2,0,0,2,82.27249,3.601455402,3.573352968,3.543109655,3.530472763,3.45205587,3.423561687,3.345076026,3.24927035,1.949884749,1.94958557,1.92074634,1.871923043,1.869466738,1.775665861,1.731954806,1.721037832,3.580096003,3.576442662,3.560128421,3.493180985,3.474014824,3.423142672,3.311924347,3.275351769,1.89490601,1.893013306,1.873216506,1.821589323,1.811065191,1.748017279,1.68015681,1.654716361,3.714271893,3.701029795,3.687412584,3.646601531,3.605579314,3.568300255,3.480119718,3.422721981,1.720429998,1.719390881,1.695313892,1.632567619,1.625263393,1.550433933,1.466400171,1.446390232,3.597108565,3.595650903,3.573500492,3.503819288,3.493728754,3.426816466,3.322159435,3.297787914,1.865190765,1.858344087,1.84369114,1.799168935,1.774136817,1.729027201,1.654064031,1.612404933,3.760597957,3.755847935,3.74029566,3.685821286,3.66516719,3.615605156,3.528234791,3.490526493,1.66803794,1.665856128,1.646344312,1.5817761,1.56887646,1.508255505,1.411017232,1.382482077,5.168616777,5.168603258,3.632078602,3.631872169,3.578612786,3.573478669,3.541835331,3.437662993,1.80876939,1.808618463,1.775469805,1.707648621,1.706619967,1.590161157,1.536952127,1.531954602,0,0,2,0,0,6,26,2,0,0,0,0,0,0,0,0,0,0,0,1.39384685,0,0,0,0.934347711,0,0,0,1.39384685,1.274273694,1.105171716,0.744016936,0.585024986,0.455341801,29.52260451,19.41359136,15.21536931,9.600642529,6.547024485,4.458569555,3.031857291,2.058408923,0.738065113,0.497784394,0.362270698,0.246170321,0.172290118,0.12050188,0.084218258,0.058811684,27.58668357,17.72685129,13.08415892,7.889525065,5.192744155,3.398886678,2.210379559,1.426505412,0.689667089,0.454534648,0.311527593,0.202295514,0.136651162,0.091861802,0.061399432,0.040757297,57.82316955,107.396941,101.7882353,103.2,65.87036527,845.3497066,0.525665178,0.976335827,0.925347594,0.938181818,0.598821502,7.684997333,11.5274,171.636,516.8758734,813.224727,1033.751747,25.84379367,516.8758734,2.28E-15,5.69E-17,-134.8655027,536.5704836,13.41426209,25.14079172,2066,0,0,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,34,2,0,0,0,0,0,0,0,0,0,0,4,0,28,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,34.55791144,-0.074077319,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.50453923,1.07617284,0,0,0,0,0,0,0,0,0,0,9.211245836,0,31.62937293,0,0,0,1.675547111,0,0,-0.074077319,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.77984598,10.77806546,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389032731,-0.037038659,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.217127065,0.53808642,0,0,0,0,0,0,0,0,0,0,2.302811459,0,0.542660096,0,0,0,0.837773555,0,0,-0.037038659,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.88992299,5.389032731,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.88992299,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.570952498,0.53808642,0,0,0,0,0,0,0,0,0,0,2.302811459,0,1.378589284,0,0,0,0.837773555,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.88992299,5.389032731,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,77,1.925,0.570952498,11.88992299,-0.081646024,-0.037038659,19.94716838,1.703705326,4.88992299,29.53831456,1.703705326,4.88992299,29.53831456,19.33332,0.48333,0,0.01667,0.47333,0.77667,0.43115,0.47333,0.77667,0.04219,0,-0.04219,0,0.62232,0.09197,0,0.13793,0.10345,0,24,0.6,21,0.525,3,0.075,-18,-0.45,0,0,61.32758,1.53319,71.72822,10.40064,0.26002,17.29843,0.43246,19.41356,2.11513,0.05288,0.50044,0.01251,0.50044,0.01251,0,39.04,4,4,4,4,0,0,0.944444444,1.116204157,1.698733248,2.870846986,3.598119713,4.048919486,4.078655341,122.7824572,186.8606573,315.7931684,395.7931684,445.3811435,448.6520875,0.164598872,0.250500389,0.423343858,0.530589714,0.597066025,0.601450965,5.665155557,5.082626465,3.910512728,3.183240001,2.732440228,2.702704373,0.164282578,0.250019028,0.422530361,0.529570133,0.595918702,0.600295216,9.527746385,16.6633651,20.74063409,23.67593997,24.68085282,23.74056146,148.5246016,110.6359333,93.36203994,73.76428314,64.24826757,68.88543371,40,31.92517007,35.1268902,40,3,12,4.98,5.3298,0.445070923,8.033077018,1.611234473,0,0,11.83052044,0,0.367754782,0,0,0.090909091,0.852802865,0.090909091,0,0,0,0,0,0,0.003,0.799,0.788,0.911,0.09,18.462,42,39,38,37,36,35,34,33,32,405,3.737669618,3.850147602,3.784189634,3.761200116,3.737669618,3.713572067,3.688879454,3.663561646,3.63758616,3.610917913,6.095824562,1.09382716,0.485714286,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,33,0.846153846,37,0.948717949,2,18,35,0.944444444,4.5,1.555555556,0.875,0.56,0.388888889,0.285714286,0.21875,0.172839506,0.12,0.132231405,0.115384615,0.037037037,0.022435897,0.014736842,0.010510511,0.007936508,0.00625,0.005083515,0.003636364,0.004132231,0.256467619,516.8758734,813.224727,1033.751747,25.84379367,516.8758734,2.28E-15,5.69E-17,-134.8655027,536.5704836,13.41426209,25.14079172,52.6,661.0998946,6.321928095,5.093750201,5.783825182,6.508769137,7.207118856,7.932003152,8.634264863,9.359018964,10.0637765,10.78851463,150.3710415,4.369447852,0,5.509388337,0,6.762729507,0,8.068089626,0,9.403354558,9.713960095,566.5274107,5.150249188,78.13432664,1.953358166,10.99445299,10.99445299,0,9914,39,15.744,162,1.248045872,2.153228796,2.88434013,3.611643698,4.86604878,5.901173773,7.1529729,8.264850761,9.510222406,10.65259107,89.0561573,92.02938542,89.4208791,114.2691966,153.4338173,186.7033704,220.4292582,254.9618132,289.9623818,325.74464,299.1115543,354.1316939,372.2297492,470.0489478,629.7223278,767.0700758,908.3191001,1049.315034,1192.453359,1335.405671,9.289265288,15.7755066,20.76886993,26.13561708,35.31525198,42.88633195,51.98526229,60.13835339,69.24992196,77.67404242,2.17817341,2.814364238,3.09444168,3.883923522,5.19409455,6.324817576,7.514241493,8.676035231,9.868418261,11.03835348,178.9870084,332.1448228,469.174749,587.0851583,792.6876713,959.3622793,1168.414893,1349.558899,1557.129235,1744.260813,2.726979358,4.377425801,5.086954506,6.53819903,9.039391217,11.03859371,13.44140522,15.65125117,18.14880753,20.63235758,0.46553594,0.615588098,0.685056081,0.864892239,1.161372498,1.416257314,1.688258957,1.953108879,2.228094273,2.497834763,1300.404585,3519.460122,41.82590924,242.0475321,-655.0858454,-32.1687843,1058.357053,4174.545967,73.99469354,0.843076145,2.281730553,0.027116504,0.156923855,-0.42470417,-0.020855613,2005.811805,5428.598716,64.51446225,373.3467283,-1010.438549,-49.61880945,0.09660292,0.116614395,1.385342389,1.491149456,1438.715754,103.736363,0.932745813,0.067254187,2724.00841,52.19203397,13.96591779,3402.100936,58.32753154,15.04004255,5238.573535,72.37799068,17.36751496,7.061080237,7.061080237,94861.14183,94634.70535,409.6365138,1.002392743,231.5739409,231.0211667,13.08475741,22.66267429,44.11249589,0.946482367,19.54949086,32.29892885,13.65749916,151.1066301,51.17420961,9.493504502,34.51340292,25.65101254,108.4822126,6.730679559,15.07304937,91.45817766,16.55776577,96.96719625,4.725627175,40.00381983,40.73101589,19.28430059,60.07934545,7.452058588,82.32963917,15.41901083,27.23777896,23.77332502,6.057016006,112.4996589,2.782439589,49.07097165,2.668727268,2.60869304,1.673668341,32.59986656,1.104023744,37.20192758,1.496064482,3.555986215,5.460527401,1.469613386,27.49517908,0.252851206,9.744576888,8.687701263,1.47335937,21.02343954,0.146851293,14.41016853,5.014055355,2.32379202,13.57805631,0.326520181,18.32022432,2.484811082,4.435215707,6.393775875,0.281288562,17.73359081,0.28209222,11.96464471,0.788392442,0.641643309,5.30797055,32.03776968,3.076970122,44.86239178,4.838110269,3.82253704,9.448344284,4.019164435,36.11609462,1.021323827,9.467085529,20.61436137,3.081052462,31.07039813,0.638611411,17.74004922,8.541364339,3.794761602,19.80551001,1.250986231,27.72315728,3.278070569,6.665991182,8.735853964,1.018148775,31.14380937,0.625105041,14.74182566,0.696274878,0.737583523,18.46335486,32.59994807,13.8053104,142.2963812,46.03635896,9.093625719,34.61638835,24.39186925,105.3735918,6.138209114,15.01905541,86.04640164,15.38502401,93.39528503,4.288646726,38.98280106,39.04893096,17.54784806,58.25255968,6.82833888,78.92319387,15.06829767,25.0553,23.00622988,5.637528032,106.4977396,3.149255949,49.15703563,2.79847651,3.182636483,7.807808483,31.82425291,4.324295467,54.25259266,9.078123832,4.301585499,12.29496835,6.21567528,43.56189962,1.713288137,9.719893345,30.17423518,4.553152578,39.11348595,1.107685295,20.62611776,11.78725889,5.395122877,24.73497811,2.042973612,35.27942915,4.355880293,8.925665536,10.6469023,1.6323763,42.07024292,0.763652351,17.43184319,0.747468518,0.716342699,23.60888748,32.49032892,17.79246795,202.3703179,74.12171067,12.07020021,44.14767868,35.45055414,139.750331,9.146801448,17.64102274,117.7828216,22.56314993,122.8169444,6.521457815,47.59449308,54.85990728,26.53295225,75.55921527,9.974303401,101.1627693,20.90898512,36.48167951,29.46671518,8.145915159,142.3979951,3.783660693,64.75969106,3.618454676,3.653411797,12.88291523,31.85981313,10.77933811,106.1313984,24.2466305,7.14573527,30.14906297,20.25341573,89.04371367,3.568380551,13.38446677,61.74733494,10.634787,76.65934379,2.260160279,30.83652856,35.1962146,9.600625186,51.68646113,3.816223256,57.61414806,20.87713514,14.95128467,21.10931073,3.340992442,77.16103713,5.160246532,44.66916609,4.627562546,3.687029144,186.9235917,0.980658501,0.587305544,0.991681516,0.005202665,0.587122419,0.523669805,0.477548627,188.4915557,293.665417,589.8149002,0.987522274,1.588340851,166.8885314,0.561239937,0.161626559,0.995687247,0.003348459,0.468036578,0.181527341,0.037720079,167.6113979,120.7288391,303.4789092,0.993530871,0.687283997,179.5918833,0.688165735,0.330540976,0.994359651,0.003810218,0.541978524,0.261483489,0.153760641,180.61059,183.1789237,404.640736,0.991539477,0.957222654,184.6554817,0.974891182,0.570626696,0.991699734,0.005235693,0.572963123,0.522273283,0.45591498,186.2009996,285.9446473,574.8692946,0.987549601,1.551151386,184.2074373,0.760694322,0.409671099,0.993686594,0.004103481,0.57018827,0.314223277,0.231703237,185.3778027,215.9016494,458.6848409,0.99052989,1.116114785,187.2750106,1.021059118,0.61911735,0.991317922,0.005404855,0.589331482,0.568318951,0.531313204,188.9151871,307.7962208,615.09832,0.986976882,1.688963637,185.1913827,0.985369369,0.574514347,0.991647266,0.005276373,0.576293934,0.534354263,0.462769807,186.7512664,289.4431312,581.0328765,0.987470898,1.573418005 +UMLPP0018,L,Iso-tridecyl Dodecanedioate,CC(C)CCCCCCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCCCCCCC(C)C,UML,,-50,0,-5.3444,28.56261136,138.4238,119.430682,0,0,116,42,74,0,38,0,4,0,0,0,0,0,0,0,6581.097338,7098.152681,8587.96074,8336.750241,8081.569832,7866.523951,7669.767222,7473.010493,7276.253764,19259.40246,25129.97819,34504.04541,37529.04118,36157.30033,34590.99459,33584.19624,32577.3979,31570.59955,837.112808,850.826132,1632.18816,2286.555396,2323.949792,2140.13254,2077.24764,2014.36274,1951.47784,141.452371,188.0498189,279.7505995,322.4209281,311.9574233,294.9328622,285.9113333,276.8898045,267.8682756,19243.89692,16688.93096,34881.25925,52306.36232,53798.86205,48991.38916,47512.434,46033.47885,44554.52369,289.1111111,242.5833333,436,544.4166667,558.1666667,527.9166667,515.6666667,503.4166667,491.1666667,56.73359774,61.72306679,38.33911045,26.13401329,24.94311677,26.48661263,26.63113619,26.78498385,26.94908801,166.0293316,218.5215494,154.035917,117.6458971,111.596606,116.4679953,116.6117925,116.764867,116.9281465,7.216489724,7.398488104,7.286554286,7.167885254,7.172684543,7.205833468,7.212665417,7.219938136,7.227695704,1.219416991,1.635215817,1.248886605,1.010723912,0.962831553,0.99303994,0.992747685,0.992436575,0.992104724,165.8956631,145.1211388,155.7199074,163.9697879,166.0458705,164.9541722,164.9737292,164.9945478,165.0167544,2.492337165,2.10942029,1.946428571,1.706635319,1.722736626,1.777497194,1.790509259,1.804360812,1.819135802,0.636872575,-0.323528569,0.065826294,-0.041921473,-0.024440328,0.002202592,5.70E-04,2.43E-04,0.002112132,3529.096131,7.531003524,-876.311882,-297.5331412,235.4478644,-72.14594669,-73.99850235,-75.85105801,-77.70361367,5715.473053,-210.2661457,-2084.236324,-654.2447718,478.8411179,-14.01643011,-14.48743866,-14.95844722,-15.42945578,4.533187448,0.117066995,1.6517281,-0.236254379,-0.350579149,-0.498530553,-0.510023872,-0.52151719,-0.533010509,25.43100598,-1.611736751,-9.551457478,-3.390482421,1.996900795,-0.002699215,-0.002710169,-0.002721124,-0.002732078,139.8106724,-9.890833385,-51.4058764,-19.33102832,10.39772609,-0.145479222,-0.147271993,-0.149064763,-0.150857534,84.66283525,0.970273484,24.50931431,-4.540229885,-7.201942132,-9.366627031,-9.599682917,-9.832738803,-10.06579469,0.005490281,-0.002813292,2.94E-04,-1.31E-04,-7.54E-05,7.42E-06,1.98E-06,8.72E-07,7.82E-06,30.42324251,0.065486987,-3.912106616,-0.932705772,0.72669094,-0.242915645,-0.256939244,-0.271867591,-0.287791162,49.27131942,-1.828401267,-9.304626446,-2.05092405,1.477904685,-0.047193367,-0.050303606,-0.053614506,-0.057146133,0.039079202,0.001017974,0.007373786,-7.41E-04,-0.001082034,-0.001678554,-0.001770916,-0.001869237,-0.001974113,0.21923281,-0.014015102,-0.042640435,-0.010628472,0.006163274,-9.09E-06,-9.41E-06,-9.75E-06,-1.01E-05,1.205264418,-0.086007247,-0.22949052,-0.060598835,0.032091747,-4.90E-04,-5.11E-04,-5.34E-04,-5.59E-04,0.729852028,0.008437161,0.109416582,-0.014232696,-0.022228216,-0.031537465,-0.033332232,-0.035242791,-0.037280721,-0.512413117,0.053525019,-0.023935984,-0.01373939,0.001350775,3.60E-04,1.59E-04,0.001424829,0.002152531,-0.128589404,-0.030657671,0.023886045,-0.007984542,-0.008445492,-0.008936181,-0.009459582,-0.037108835,-0.188844678,-0.041625109,0.029995233,-9.58E-04,-0.001020951,-0.001088148,-0.001159825,0.026048993,0.188688247,-0.018951496,-0.027688242,-0.042952618,-0.045316079,-0.047832022,-0.050515693,-0.063927941,-0.19449842,-0.048480296,0.028112918,-4.15E-05,-4.29E-05,-4.45E-05,-4.62E-05,-0.07135965,-0.190406782,-0.050278457,0.026626313,-4.06E-04,-4.24E-04,-4.43E-04,-4.64E-04,0.011560098,0.149916117,-0.019500796,-0.030455785,-0.043210765,-0.04566985,-0.048287584,-0.051079835,1.603900889,0.971412256,1.007843418,1.046493483,1.11416401,1.142047408,1.170860972,1.200127991,1.282808571,1.252329526,1.022297361,0.954315996,1.014505754,1.018812621,1.023397352,1.02828773,1.475478975,1.379154358,1.048460227,0.930799022,0.984913762,0.984235733,0.983513961,0.982744071,0.739189376,0.71553246,0.934319395,1.081660857,1.175942224,1.208512374,1.243183824,1.280166703,1.553142278,1.40763121,1.057214519,0.929037182,0.982848038,0.981957249,0.981008989,0.979997512,1.566065886,1.406254429,1.058187421,0.930828224,0.985167763,0.98472676,0.984257304,0.983756552,0.594843191,0.49185531,0.816842681,1.078837583,1.174626978,1.20897586,1.2455408,1.284543402,1102.912515,551.9562574,869.4991076,1103.864896,26.28249752,551.9562574,1,2.78E-16,6.61E-18,-150.4461413,567.0629276,13.50149828,26.62997518,1103.02641,552.011736,869.5899396,1103.975993,26.28514269,552.011736,0.997062316,1.67E-15,3.97E-17,-142.9207515,567.1075966,13.50256182,26.63030601,1203.705257,601.0546398,950.1310056,1202.185279,28.62345901,601.0546398,-1.595977912,3.22E-15,7.67E-17,-140.1519199,607.5052862,14.46441158,26.91931568,1103.145943,552.0699613,869.6852694,1104.09259,26.28791881,552.0699613,0.993979201,2.50E-16,5.95E-18,-150.8886555,567.1544798,13.50367809,26.63065321,1310.096078,652.8834504,1035.691484,1305.973052,31.09459648,652.8834504,-4.329177057,2.89E-15,6.87E-17,-140.6105569,651.7881477,15.51876542,27.21482225,1114.835128,557.7638322,879.0112266,1115.494687,26.5593973,557.7638322,0.692536744,5.83E-16,1.39E-17,-147.3300045,571.7528453,13.61316298,26.6645686,1118.095888,559.2670357,878.8891617,1119.862876,26.66340182,559.2670357,2.319172932,8.60E-16,2.05E-17,-145.6942525,544.1126617,12.95506337,26.45645656,0,11.89,15.99795305,-0.316609247,0.262749364,4.349386475,7.653513993,41,115,113,113,39,2,2,0,0,2,86.645318,3.599026374,3.579210319,3.543904465,3.53465928,3.465385335,3.430254893,3.384043048,3.271389133,1.950015819,1.949615409,1.934591692,1.872909496,1.870347861,1.823656825,1.735218591,1.728137413,3.58140528,3.576683251,3.566682395,3.503246833,3.477745992,3.448822397,3.342139732,3.287697278,1.895657284,1.893168399,1.88180847,1.826212955,1.81390883,1.778701729,1.693027777,1.666665844,3.714920937,3.702137436,3.689850803,3.656464223,3.612861084,3.581804358,3.512124962,3.43989071,1.720907083,1.719478058,1.706579588,1.636610763,1.627249734,1.59066216,1.479467452,1.455794287,3.597770376,3.59576323,3.583655288,3.510101911,3.496110724,3.463640849,3.342818532,3.307624836,1.866328648,1.858876714,1.847856324,1.80699363,1.779533656,1.747470748,1.675890391,1.627837451,3.761901857,3.756186476,3.745844506,3.694222103,3.66957521,3.638276932,3.551798733,3.504481924,1.668960377,1.666017795,1.654931928,1.588857267,1.571840854,1.53989499,1.432392301,1.39379597,5.175861226,5.17586013,3.633900306,3.63372289,3.586164866,3.576025011,3.564252895,3.447436669,1.807196317,1.806957545,1.792531476,1.706546852,1.705300035,1.656802552,1.536981002,1.533692134,0,0,2,0,0,6,28,2,0,0,0,0,0,0,0,0,0,0,0,1.39384685,0,0,0,0.934347711,0,0,0,1.39384685,1.274273694,1.105171716,0.744016936,0.585024986,0.455341801,30.93681807,20.41359136,15.92247609,10.10064253,6.900577875,4.708569555,3.208633986,2.183408923,0.736590907,0.497892472,0.361874457,0.246357135,0.172514447,0.120732553,0.084437736,0.059011052,29.00089714,18.72685129,13.7912657,8.389525065,5.546297546,3.648886678,2.387156254,1.551505412,0.690497551,0.45675247,0.313437857,0.204622563,0.138657439,0.093561197,0.062819901,0.041932579,60.90682516,113.1726147,107.2392157,108.72,69.46747425,891.4062168,0.525058838,0.975625989,0.924475997,0.937241379,0.598857537,7.684536351,12.3076,180.87,572.5311462,902.1721811,1145.062292,27.26338792,572.5311462,1.11E-16,2.64E-18,-154.2945624,582.3988712,13.86663979,26.74205335,2298,0,0,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,36,2,0,0,0,0,0,0,0,0,0,0,4,0,30,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,34.63028311,-0.037145722,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.94031832,1.060382231,0,0,0,0,0,0,0,0,0,0,9.221577288,0,34.50550752,0,0,0,1.679777804,0,0,-0.037145722,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.81946204,10.81082107,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.405410534,-0.018572861,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.216476628,0.530191116,0,0,0,0,0,0,0,0,0,0,2.305394322,0,0.566524101,0,0,0,0.839888902,0,0,-0.018572861,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.90973102,5.405410534,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.90973102,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.567178288,0.530191116,0,0,0,0,0,0,0,0,0,0,2.305394322,0,1.382018294,0,0,0,0.839888902,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.90973102,5.405410534,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,80,1.904761905,0.567178288,11.90973102,-0.087358323,-0.018572861,21.33451913,1.685239527,4.909731021,29.7037208,1.685239527,4.909731021,29.7037208,20.33332,0.48413,0,0.01587,0.47126,0.77302,0.43125,0.47126,0.77302,0.04001,0,-0.04001,0,0.62628,0.08801,0,0.13115,0.09836,0,25,0.59524,22,0.52381,3,0.07143,-19,-0.45238,0,0,65.57366,1.56128,76.08709,10.51343,0.25032,18.29843,0.43568,20.41356,2.11513,0.05036,0.50044,0.01192,0.50044,0.01192,0,41.04,4,4,4,4,0,0,0.947368421,1.108663801,1.67081736,2.807282915,3.520053041,3.981899204,4.096964349,128.6050009,193.8148137,325.6448182,408.3261527,461.9003076,475.2478645,0.161660378,0.243631086,0.409345392,0.513278331,0.580622665,0.597400948,5.749317195,5.187163636,4.05069808,3.337927954,2.876081792,2.761016646,0.161368988,0.243191945,0.408607553,0.512353155,0.579576102,0.596324142,9.425542488,16.30914087,20.27578038,23.18645974,24.34395014,24.15485619,156.2298468,118.1548953,100.7942959,80.69811599,69.57265288,70.10229976,42,33.88429752,37.12076145,42,3,12,5.2,5.6116,0.428884255,8.148594117,1.554195721,0,0,11.93615857,0,0.341668364,0,0,0.076923077,0.784464541,0.076923077,0,0,0,0,0,0,0.003,0.799,0.788,0.911,0.09,19.46,44,41,40,39,38,37,36,35,34,427,3.784189634,3.891820298,3.828641396,3.80666249,3.784189634,3.761200116,3.737669618,3.713572067,3.688879454,3.663561646,6.144185634,1.088992974,0.486486486,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,35,0.853658537,39,0.951219512,2,19,37,0.947368421,4.5,1.555555556,0.875,0.56,0.388888889,0.285714286,0.21875,0.172839506,0.14,0.115702479,0.109756098,0.035353535,0.021341463,0.014,0.00997151,0.007518797,0.005912162,0.004801097,0.004,0.003403014,0.244510857,572.5311462,902.1721811,1145.062292,27.26338792,572.5311462,1.11E-16,2.64E-18,-154.2945624,582.3988712,13.86663979,26.74205335,52.6,695.6918639,6.392317423,5.141663557,5.831882477,6.555356892,7.253470383,7.976938757,8.678801707,9.402199633,10.10646921,10.82990682,154.7766894,4.418840608,0,5.556828062,0,6.807934944,0,8.111027838,0,9.444067717,9.75550945,594.5587108,5.125506128,82.13432362,1.955579134,10.9945602,10.9945602,0,11535,41,16.882,170,1.239152036,2.14506719,2.895217939,3.640391367,4.915851222,5.96357117,7.23617438,8.367106901,9.636280044,10.80137142,88.87728872,92.0388007,89.72783162,114.9965569,153.7708301,186.9906974,220.6331865,255.030898,289.8618334,325.454965,298.4709484,355.1733503,374.4308524,475.365697,635.4982211,774.2989114,917.2674913,1060.014939,1205.073913,1349.972925,9.220242035,15.70823825,20.82638395,26.31589003,35.61476209,43.25556439,52.47583048,60.73518915,69.98079297,78.52798284,2.17219471,2.821946566,3.11471871,3.932278132,5.254782561,6.402295311,7.612863742,8.796429421,10.01350392,11.20879042,177.5546341,330.3102661,470.718584,591.1283578,800.4889177,969.0583565,1181.493011,1365.636501,1577.053787,1767.758235,2.695974604,4.33083363,5.06219034,6.533975651,9.00981865,10.9930326,13.37676874,15.56288097,18.02930611,20.36515148,0.463695679,0.616144222,0.688233557,0.873583661,1.171772389,1.429277874,1.704724488,1.97294086,2.251756872,2.525323886,1257.929892,3538.309101,38.45486168,163.825892,-460.809977,-28.95061185,1094.104,3999.119078,67.40547353,0.884772129,2.488689788,0.027047445,0.115227871,-0.324113313,-0.020362577,1788.469101,5030.611431,54.67342202,232.9204096,-655.1592503,-41.16069985,0.092949804,0.112204529,0.543705153,1.243033003,1321.487617,100.2681674,0.929475815,0.070524185,2819.926127,53.10297663,14.12795308,3558.524686,59.65337112,15.26710389,5382.257147,73.36386813,17.52487038,9.61540408,9.61540408,114547.4763,114328.4724,401.5336038,1.001915568,285.2749439,284.7295252,13.55708011,24.48178206,47.72289905,0.949322926,29.18415001,34.85976348,15.38981196,158.4977426,81.32217075,10.03356756,40.99576599,17.208627,124.4683266,7.239510368,8.718784003,104.8437425,9.120719966,140.5215027,1.863306413,11.841541,81.55611587,4.511135536,130.7421499,1.845778571,13.58748915,58.38302912,2.372040513,96.21664979,0.768437978,18.01871518,21.15470943,0.218939162,70.85450596,3.25013708,2.463499453,35.38677475,1.230570124,38.79814208,2.681491023,1.024374878,6.722532302,1.281070256,35.17800865,0.446986857,1.369274228,12.05359156,0.386352795,32.77543991,0.022761868,2.64518201,7.775522789,0.135492379,26.67604663,0.013385714,4.510054543,5.296019566,0.073788444,18.0943375,0.021896942,6.880933919,2.98004106,0.015759657,15.40679247,0.170273078,7.911469161,34.34526356,3.690531601,45.25071499,7.990742364,2.81593015,12.65743265,2.887245776,43.93441857,1.53228719,2.080786676,25.79123383,1.417560475,44.21210422,0.16139803,3.457051872,15.37168219,0.597029119,37.3329189,0.13644998,5.288561131,10.33808002,0.319396414,25.05281714,0.07555236,8.236838197,3.067915169,0.051114443,17.68478173,0.617189818,27.55188059,35.41517095,15.11502771,147.3369726,73.02402529,9.477943019,40.75171236,16.45700706,122.1866873,6.717123038,8.0181606,100.0189846,8.503680366,138.5650547,1.666766251,10.94614477,76.29375091,4.090593233,128.6797748,1.644817272,12.73093842,55.82380287,2.152272161,94.59654246,0.741653875,17.04138628,21.04189105,0.204345974,70.34724085,2.997304704,11.65349308,33.95158121,5.318492578,54.87515272,14.74593872,4.060507898,16.52254532,4.276328532,51.84660901,2.366743921,2.804850237,36.59260376,2.302090061,53.97983278,0.326954901,4.332913087,22.62856613,1.042011499,46.61696917,0.295446794,6.144681296,14.93105689,0.554364386,31.62768222,0.128047841,9.441487706,4.163820217,0.077198653,21.79972478,0.977946317,35.24410759,35.22978565,19.52661205,214.5497094,117.6104708,12.14032674,50.94400625,23.83010469,158.7893473,9.294660071,11.69773222,132.8740583,12.43426901,180.5469658,2.686226703,15.69188896,109.9780117,6.241691339,170.0951877,2.69065483,17.38802745,80.49660587,3.275527654,127.1776562,1.12049593,22.07625863,30.26635697,0.275467554,94.63215388,4.25931143,19.17468907,35.36067844,11.11378023,100.8416817,37.74437626,7.474907435,32.37060742,14.64124785,110.9487706,4.443285133,4.721206275,76.50925125,6.091461153,127.6253033,0.815521545,6.718514732,55.6825016,2.187067221,118.1408469,0.767394884,8.534039205,49.16328572,1.136730386,85.31575605,0.481167613,12.0063544,33.46422338,0.127284156,77.70384461,1.745874855,212.6541376,0.975838394,0.560570843,0.992826905,0.004555936,0.584227478,0.532041522,0.430481472,214.1905468,327.2708078,657.788814,0.989240357,1.546750472,192.1444924,0.521720669,0.153440949,0.996498481,0.002705744,0.476984043,0.163726463,0.033577822,192.819654,129.8086396,338.0100971,0.994747722,0.674288328,205.0430506,0.671667344,0.314408855,0.995213899,0.00326006,0.54316272,0.254929854,0.136369507,206.0291267,202.39925,451.728991,0.992820849,0.934462081,210.3823054,0.966395738,0.544916585,0.992867589,0.004560759,0.57181192,0.527815624,0.410804284,211.8936177,318.4799757,641.1619811,0.989301384,1.510431829,209.7304252,0.751981563,0.389960309,0.994584678,0.003566051,0.568277619,0.313198517,0.20637701,210.8723671,239.7931973,512.1675356,0.991877016,1.087853145,213.0439681,1.016722875,0.591147579,0.992509403,0.004736614,0.586370726,0.578818081,0.479752024,214.6518386,343.1481351,685.8464858,0.988764104,1.64494083,210.9407297,0.975443617,0.5485679,0.992826991,0.004591085,0.574851184,0.538846991,0.41682265,212.4647412,322.0111986,647.3497035,0.989240486,1.530520825 +UMLPP0019,L,Iso-Octyl Alcohol,CC(C)CCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCC(C)C,UML,diiso-octyl phthalate,-42,0,0.7822,0.61183684,105.4322,70.786134,6,6,66,28,38,0,24,0,4,0,0,0,0,0,0,0,4524.82134,4786.86394,6253.287914,6516.24445,6640.269618,6404.00384,5383.186076,5366.975675,4974.454418,12211.15104,15493.74027,21386.16513,23583.4342,22343.89318,20664.50103,20003.88438,19502.81994,18317.32985,489.68088,496.564672,909.944216,1207.764328,1306.477512,1122.709952,1040.531888,1056.920444,1006.00076,86.40170638,111.7065238,162.7941511,186.8715777,174.644555,157.7607972,157.5071106,152.8886266,141.2018489,10811.74047,9528.192618,18890.13921,26438.44676,29153.1817,24057.29924,22568.90401,22865.57616,21728.22282,229.6666667,169.8333333,302.2222222,362.2777778,427.3333333,455.4166667,322.8333333,347.8611111,331.7777778,68.55789909,72.52824152,51.25645831,39.49239061,37.72880465,43.56465197,38.45132911,38.06365727,37.68526074,185.01744,234.7536405,175.2964355,142.9299042,126.9539385,140.574837,142.8848884,138.3178719,138.7676504,7.419407273,7.523707152,7.458559148,7.319783806,7.423167682,7.637482667,7.432370629,7.495889674,7.621217879,1.309116763,1.692523088,1.334378287,1.132555016,0.992298608,1.073202702,1.12505079,1.084316501,1.069710976,163.8142495,144.3665548,154.8372066,160.2330107,165.6430778,163.6550969,161.2064572,162.1672068,164.6077486,3.47979798,2.573232323,2.47723133,2.195622896,2.428030303,3.098072562,2.305952381,2.467100079,2.513468013,0.614712118,-0.342932462,0.047394202,0.054797195,-0.254947945,0.318804905,-0.103252587,2.76E-04,-0.100619952,2213.605611,48.60066836,14.71230795,311.7092402,1057.630649,317.8482558,-190.7238415,-278.2439125,-369.0410304,3353.140263,-105.5831039,-340.3115129,-224.170008,1145.844755,287.7752463,-181.0773409,-405.125366,510.3047589,4.124391273,0.061083636,1.60716886,0.382778909,-0.024653818,2.442618711,-0.747470942,-0.914196264,-2.098008,15.04494475,-1.094044718,-1.618324708,-3.475473119,2.19885272,1.956843728,-0.730144006,-2.043963681,4.865105495,83.62947533,-7.02183919,-8.177132117,-23.11183269,6.640744871,12.98549699,-4.173094546,-11.93729401,30.02183601,80.16498316,-0.739057239,26.22028364,13.10606061,9.765432099,40.8892715,-19.25400469,-21.56037649,-34.95286195,0.00931382,-0.005195946,3.88E-04,3.32E-04,-0.001448568,0.002168741,-7.38E-04,1.96E-06,-7.62E-04,33.53947896,0.736373763,0.120592688,1.88914691,6.009265051,2.162233033,-1.362313153,-1.973361082,-2.795765382,50.8051555,-1.599743998,-2.78943863,-1.358606109,6.51048156,1.957654737,-1.293409578,-2.873229546,3.865945143,0.062490777,9.26E-04,0.013173515,0.002319872,-1.40E-04,0.016616454,-0.005339078,-0.006483661,-0.015894,0.227953708,-0.016576435,-0.013264957,-0.021063473,0.012493481,0.013311862,-0.005215314,-0.014496196,0.03685686,1.267113263,-0.106391503,-0.067025673,-0.140071713,0.037731505,0.088336714,-0.029807818,-0.08466166,0.227438152,1.214620957,-0.011197837,0.214920358,0.07943067,0.05548541,0.27815831,-0.137528605,-0.152910472,-0.264794409,-0.557874902,0.041709746,0.035657143,-0.155528868,0.232851919,-0.079185391,2.10E-04,-0.08184315,0.021955432,0.003595544,0.056326066,0.179169899,0.064468295,-0.040618197,-0.058836963,-0.083357448,-0.031487828,-0.054904637,-0.026741501,0.128146081,0.0385326,-0.025458235,-0.056553897,0.07609356,0.01481034,0.210807353,0.037123433,-0.002241587,0.2659025,-0.085437859,-0.103753894,-0.254341533,-0.072718427,-0.058191449,-0.092402416,0.054807099,0.058397217,-0.022878831,-0.06359272,0.161685722,-0.083963688,-0.052896355,-0.110543956,0.029777531,0.069714931,-0.023524194,-0.066814595,0.179493151,-0.009219203,0.176944385,0.065395439,0.045681255,0.229008324,-0.113227591,-0.125891514,-0.218005796,1.611842143,0.913025793,0.975920429,1.414755159,1.197918127,1.272422568,1.326788278,1.71386545,1.044626622,1.02297395,0.915688474,0.831952814,1.024786539,1.057933087,1.10054313,1.176080245,1.286671981,1.151837755,1.048944974,0.804576388,0.907764849,1.023559805,1.032508961,0.856513425,0.698210436,0.705872551,0.774019383,1.258154123,1.38954515,1.213107157,1.422717615,1.97065103,1.399696643,1.186193949,1.120714657,0.867106352,0.891510586,1.028132323,1.044486454,0.772909349,1.419616785,1.185937771,1.13569705,0.896538009,0.898030526,1.033979752,1.057291618,0.774215736,0.582867823,0.478705962,0.618768113,1.199477482,1.414658622,1.238442996,1.443388563,1.685300202,357.372631,179.1863155,266.4674761,358.3012024,12.79647152,179.1863155,1,3.33E-16,1.19E-17,-99.78692719,550.9697724,19.67749187,17.67270385,357.4478218,179.2224421,266.5261402,358.3736654,12.79905948,179.2224421,0.997062316,1.67E-15,5.95E-17,-95.28050103,551.0808979,19.68146064,17.67326853,424.0775024,211.2407623,318.7388674,422.8235198,15.10083999,211.2407623,-1.595977912,5.00E-16,1.78E-17,-98.65162488,653.4711071,23.33825382,18.15043529,357.5267358,179.2603575,266.58771,358.4497165,12.80177559,179.2603575,0.993979201,3.33E-16,1.19E-17,-99.78692719,551.1975401,19.68562643,17.67386112,494.7307861,245.2008045,374.4264301,491.3292898,17.54747464,245.2008045,-4.329177057,2.22E-16,7.93E-18,-100.9222295,767.1387131,27.39781118,18.59946938,365.2463587,182.9694477,272.6144251,365.8894285,13.06747959,182.9694477,0.692536744,3.89E-16,1.39E-17,-99.35530528,562.675505,20.09555375,17.73156866,384.8932605,192.328838,283.4391822,386.2300377,13.79392992,192.328838,2.079431217,0.003787855,1.35E-04,-15.61267471,611.0336705,21.82263109,17.96242578,0,11.89,15.99793883,-0.312769047,0.29517902,4.95540625,9.668147386,28,66,61,58,20,5,2,0,0,8,47.289866,3.87870883,3.532604589,3.520971149,3.381423345,3.326881217,3.138925914,3.1239587,2.767492072,1.958943708,1.922583713,1.918520946,1.734434113,1.730648458,1.420028988,1.419458772,1.249629723,3.844568451,3.545795023,3.543309147,3.315722857,3.303027658,3.053449359,3.039630347,2.781074149,1.963646711,1.866988205,1.86196331,1.686483547,1.675227531,1.399711848,1.393021002,1.202044831,3.911181032,3.672918094,3.666528474,3.492440801,3.464607652,3.247224457,3.23089563,2.970190652,1.880355058,1.689346183,1.687406051,1.468433501,1.461936927,1.147715292,1.135050526,0.973493114,3.840198443,3.564217495,3.562539533,3.323363803,3.315924546,3.034160678,3.007115247,2.80407826,1.969845355,1.832865835,1.825690037,1.663992526,1.642706331,1.408180045,1.390364364,1.183745963,3.917103488,3.728153048,3.723760982,3.535208381,3.519111053,3.261661007,3.253981301,3.040422483,1.870523115,1.635842751,1.63342742,1.414326893,1.404417684,1.122484977,1.11134858,0.908138725,4.913582715,4.869275618,3.83769166,3.552273643,3.551947969,3.390021813,3.389271057,3.043766688,1.835469232,1.833116122,1.776969641,1.589011408,1.585313794,1.204679046,1.203028952,0.907632037,0,0,2,4,2,6,8,2,0,0,0,0,0.083333333,0.096225045,0,0,0,0.027777778,0.027777778,1.560066629,0,0.248005645,0,1.044167482,0,0.044889595,0,2.522833099,3.506389866,4.663159823,1.082741604,1.067670597,1.003379159,20.77781011,13.41359136,11.3375554,7.718542544,5.774296811,4.26500305,2.638648872,1.778945169,0.742064647,0.479056834,0.333457512,0.208609258,0.137483257,0.092717458,0.062824973,0.042355837,18.16816259,10.84709478,8.303786477,4.684828647,2.987199887,1.853398799,1.044695169,0.536716228,0.64886295,0.387396242,0.244229014,0.12661699,0.071123807,0.040291278,0.024873694,0.012778958,37.15392469,65.19155135,62.18039216,63.04,41.09349341,503.8684036,0.562938253,0.987750778,0.942127154,0.955151515,0.622628688,7.634369751,6.433,113.619,254.8515045,394.2140024,509.703009,18.20367889,254.8515045,6.11E-16,2.18E-17,-98.08974694,366.3451457,13.0837552,16.53001255,774,0,0,4,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,16,0,0,4,0,0,0,0,0,0,0,0,4,0,10,0,0,4,2,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,35.43807471,6.398598346,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.173608443,0,5.765381518,0,0,2.173608443,0,0,0,0,0,0,0,0,8.840123012,0,9.247934441,0,0,6.72668877,1.408602827,0,0,-0.901216706,0.573126282,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,24.71964649,10.71842822,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.35921411,-0.450608353,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.520178101,0,0.257844884,0,0,0.520178101,0,0,0,0,0,0,0,0,2.210030753,0,0.385081053,0,0,1.625323669,0.704301414,0,0,-0.450608353,0.286563141,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.35982324,5.35921411,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.35982324,1.738020716,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.566626121,0,0.663381519,0,0,0.566626121,0,0,0,0,0,0,0,0,2.210030753,0,1.194534432,0,0,1.738020716,0.704301414,0,0,0,0.286563141,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.35982324,5.35921411,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,61.33333333,2.19047619,0.663381519,12.35982324,-0.069163566,-0.450608353,11.1280705,2.11727502,5.359823244,30.55639544,2.11727502,5.359823244,30.55639544,13.33332,0.47619,0,0.02381,0.51616,0.80952,0.43333,0.49815,0.80952,0.08283,0.01801,-0.06481,0,0.58823,0.12606,0,0.2,0.225,0,24.5,0.875,15.5,0.55357,9,0.32143,-6.5,-0.23214,0,0,32.23787,1.15135,49.39729,17.15942,0.61284,9.50111,0.33933,13.41355,3.91245,0.13973,0.50045,0.01787,0.58645,0.02094,0.090909091,28.04,4,4,4,4,0,0,0.666666667,1.234388884,2.514489019,3.604703968,4.089552453,4.028946392,3.793357376,81.46966635,165.9562753,237.9104619,269.9104619,265.9104619,250.3615868,0.20422045,0.416003485,0.596371431,0.676586002,0.666559181,0.627582732,4.810005235,3.5299051,2.439690152,1.954841667,2.015447727,2.251036743,0.200721893,0.408876816,0.586154828,0.664995222,0.655140173,0.616831441,10.75117912,23.28209912,27.04561473,28.20044959,26.14079202,26.98429419,101.6905439,59.44843841,46.8940879,41.2942526,48.46446437,46.45745385,26.03571429,15.78892734,12.34477721,11,12,7,3.66,3.4014,0.66881425,6.721582771,3.320562257,0,17.48953408,17.13514024,0,3.376435903,0,0,0.2,1.264911064,0.2,0,0,0,0,0,0,0.003,0.843,0.836,1.313,0.722,12.604,34,37,42,46,42,42,40,43,40,422,3.526360525,3.881563798,4.244917421,4.652769165,5.042214707,4.987878307,5.158875685,5.015208156,5.258308843,5.105187611,7.138271585,2.981635071,0.473684211,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,0.571428571,20,0.714285714,2,10,19,0.9,4.5,2.444444444,1.625,1.022222222,0.694444444,0.406530612,0.243055556,0.238347191,0.15125,0.156922763,0.160714286,0.071895425,0.047794118,0.030065359,0.021701389,0.01451895,0.009002058,0.0091672,0.005601852,0.006538448,0.409341113,200.7025518,298.960613,401.4051035,14.33589655,200.7025518,1.89E-15,6.74E-17,-94.93004423,444.3268171,15.8688149,17.07036903,52.6,422.3822443,5.807354922,4.828313737,5.587248658,6.391917113,7.180069874,7.996653875,8.80282316,9.628590074,10.44793169,11.28100602,128.1445542,4.043051268,0,5.262690189,0,6.647688374,0,8.12474302,0,9.66503999,9.912397739,390.2770097,5.913288026,54.91374989,1.961205353,11.12207967,11.12207967,0,2674,34,8.076,124,1.246277329,2.156055474,2.916691187,3.632510748,4.749691056,5.734038791,6.669723812,7.677722665,8.576708989,9.448355143,100.9311541,119.7705676,127.0929394,158.4069219,219.1999237,239.1195974,274.1741778,308.1446502,421.5665863,386.9905245,315.7214944,401.2766622,445.0638716,516.0863817,718.5451929,875.7360308,979.9191015,1122.238857,1477.318007,1490.637577,9.42518742,16.14355076,21.41912297,27.11507753,36.25914413,42.69993237,49.84635081,58.39987154,64.46537496,71.66258848,2.22994281,3.011526681,3.460266956,3.931023107,5.426148882,6.806255846,7.613593584,8.58346044,11.19089615,11.52728692,178.0495901,330.4012307,463.6584129,591.728264,767.9721134,914.8287156,1069.603485,1254.600576,1333.498418,1502.806182,3.281043142,5.479244329,6.536984654,9.063579095,13.81546876,13.19559585,16.14468064,18.94920174,23.73895282,25.73901849,0.48473168,0.668825211,0.782398091,0.926644473,1.274334553,1.543589459,1.757979202,1.994999839,2.530634852,2.61710898,682.4269664,1415.334071,25.52489398,160.7662262,-333.4245695,-21.71800647,521.6607402,1748.758641,47.24290045,0.809336428,1.678540676,0.030271703,0.190663572,-0.395430813,-0.025756857,575.4177725,1193.400054,21.52241684,135.5569875,-281.1413272,-18.31247521,0.141761674,0.150324654,1.226008705,1.335695552,776.6785748,66.51461778,0.921115803,0.078884197,2176.317607,46.65101936,12.95907764,2545.274227,50.45071087,13.6535272,4754.08803,68.94989507,16.81469806,1.726883709,1.726883709,12194.91321,8479.91474,3933.078201,1.438093847,3.100602781,2.156050377,10.92237821,11.2304682,18.12942442,0.614307088,10.95143503,15.28110092,10.76367481,68.30604845,24.14401235,18.43513248,18.59068185,30.05528157,36.17750139,21.47054638,20.25709056,44.75902285,20.74753322,27.54897467,14.76677449,23.42198935,21.13192611,17.93046929,16.97092045,24.07357345,30.1152187,34.89659082,23.2388625,29.98704148,27.29679527,27.3430549,14.47536441,16.39917847,8.881803642,4.761937674,0.952210877,15.58279608,1.465673633,22.26890915,5.34852375,10.69324174,6.187936799,6.578269409,11.06345638,4.086268091,5.947230541,11.02402267,5.753028673,5.769521357,5.748865766,9.647552053,5.916273132,3.392842167,1.45562653,5.868304319,7.222768307,12.74873965,5.405855569,6.168586277,4.644903809,6.682046584,1.048389768,1.309689964,1.306986372,1.887579651,2.978731439,15.02064724,2.532164002,24.44025159,4.609113664,9.684861416,6.803552533,8.171720843,12.9306807,6.466998456,7.526656014,14.71493013,6.483554788,6.933398583,5.870194015,10.69429199,7.557624462,4.929680123,3.147397307,8.186393578,9.175144333,15.19518104,6.752210551,9.112394767,7.591968283,10.0042079,2.388527238,3.140261301,2.264646955,2.269442296,10.34749874,15.58220283,11.35533747,65.66007087,24.33878285,18.99365544,19.58164766,30.56162665,36.67459762,21.35426636,20.05494509,43.83978423,21.02219586,27.69032749,14.89962346,24.1328711,20.40204004,17.39925465,16.43096983,23.27790071,29.65404951,34.0164088,22.39014916,29.22602732,25.33464424,25.76151387,13.15789077,15.03337379,8.209879482,4.513500585,4.374877674,14.80706431,3.291379448,28.13242838,5.447057049,9.754109631,7.498013553,9.889667325,14.79081896,8.108603811,8.836140865,17.91011214,7.479588994,8.367939471,6.41748537,11.62753499,9.093098506,6.408689411,4.546086967,10.158623,11.14608069,17.42684872,8.396388896,11.35394453,10.10837783,12.55056823,3.72435504,4.767897993,3.096795023,2.592404752,13.22546318,15.47215364,14.19987229,88.59154717,34.29343106,22.63802649,23.6808814,39.4466796,46.13150233,27.73120025,25.48965412,56.98074657,27.0511344,37.10020102,18.65090348,28.88583615,26.47465264,22.78174295,23.07107733,29.92416023,38.89205446,42.53858621,29.9155775,39.0228863,35.30545272,33.55836594,19.915961,21.95803825,11.60603101,5.764073714,6.726617954,13.99849674,10.46524603,57.58002448,25.18570999,20.30512384,21.64011102,30.97950052,28.88401325,17.86646442,16.16351132,32.46931069,21.52212935,22.85574084,16.66477449,20.87229355,17.99217521,14.85790723,13.68197133,20.6758658,21.39235765,27.77462217,16.59596889,20.17094228,14.34008189,18.8188727,6.366781972,7.304305756,4.719421467,3.251103588,28.82788386,10.35602526,0.578265917,0.72500772,0.260449164,0.564768755,0.381864336,0.373633379,39.76217504,321.2010127,533.600021,0.58751158,1.32026647,21.44961167,10.50958492,0.279303512,0.665341489,0.325994847,0.312660921,0.393272479,0.087371438,32.2385001,234.3528312,329.5537487,0.498012234,0.793304838,25.2254784,10.7240532,0.363124182,0.694674566,0.295325499,0.432422712,0.409487631,0.14786019,36.31265579,283.5735167,418.1182983,0.542011849,0.989770533,28.1078515,10.2766792,0.571347622,0.721530427,0.263803042,0.53691209,0.376035176,0.364523376,38.95587831,310.786283,514.7789916,0.58229564,1.277470641,26.86448289,10.75252088,0.414766606,0.706369507,0.2827247,0.490441371,0.41166459,0.192887461,38.03177037,304.4631901,462.3048211,0.559554261,1.094993423,29.15975442,10.27363706,0.609519641,0.72821265,0.256565688,0.577851182,0.375812595,0.414823182,40.04291111,323.6121602,546.2529743,0.592318975,1.368486958,28.21791214,10.34389703,0.577259751,0.72096534,0.26428572,0.541127671,0.38097041,0.371934195,39.13906892,314.1433579,521.7748372,0.58144801,1.294032277 +UMLPP0020,L,2-Ethylhexyl Alcohol,CCCCC(CC)COC(=O)C1=C(C=CC=C1)C(=O)OCC(CC)CCCC,PubChem,,-43,0,-0.7706,0.59382436,106.097,70.786134,6,6,66,28,38,0,24,0,4,0,0,0,0,0,0,0,4524.82134,4786.86394,6253.287914,7088.268414,7458.233486,7466.303214,6528.117258,6232.541409,6443.465418,12211.15104,15493.74027,21386.16513,24307.81502,24544.99353,23894.56033,23716.66419,23763.18295,23395.16663,489.68088,496.564672,909.944216,1208.138856,1328.956616,1305.681288,1186.385784,1241.447796,1112.213112,86.40170638,111.7065238,162.7941511,189.1557074,186.8346549,181.2965927,183.7266799,185.6627125,182.1242616,10811.74047,9528.192618,18890.13921,26449.2889,28720.49212,28137.15734,25284.89537,26787.74018,23676.24074,229.6666667,170.1666667,299.5555556,358.2222222,454.9444444,509.8611111,410.9444444,417.25,377.6666667,68.55789909,72.52824152,51.25645831,42.95920251,42.37632663,43.66259189,41.31719784,37.77297824,42.95643612,185.01744,234.7536405,175.2964355,147.320091,139.4601905,139.7342709,150.1054695,144.0192906,155.9677775,7.419407273,7.523707152,7.458559148,7.322053673,7.550889864,7.635563088,7.508770785,7.523926036,7.41475408,1.309116763,1.692523088,1.334378287,1.146398227,1.061560539,1.060213992,1.162827088,1.125228561,1.214161744,163.8142495,144.3665548,154.8372066,160.2987206,163.1846143,164.5447798,160.0309834,162.3499405,157.841605,3.47979798,2.578282828,2.455373406,2.171043771,2.584911616,2.981643925,2.600914205,2.528787879,2.517777778,0.616394728,-0.345504057,0.021013116,0.116753328,-0.303200705,0.324492293,-0.031212486,-0.185514076,0.142837546,2213.605611,48.60066836,14.71230795,883.7332042,431.7622558,620.6620399,-464.703064,-562.8342859,-284.8193436,3353.140263,-105.5831039,-340.3115129,500.2108179,278.4355038,917.7659837,-489.1581121,212.2236803,-699.5897038,4.124391273,0.061083636,1.60716886,0.757306909,-0.676586909,2.222887339,-1.202414744,-2.084135636,-0.369848529,15.04494475,-1.094044718,-1.618324708,-1.191343331,-1.058311793,4.799954665,-1.715338116,3.778690651,-3.921669766,83.62947533,-7.02183919,-8.177132117,-12.26969525,-10.20989187,28.34014417,-9.025235716,24.58275415,-22.86619921,80.16498316,-0.405723906,23.55361698,20.08754209,0.753647587,43.84274564,-23.81751862,-47.81060606,-13.00795837,0.009339314,-0.00523491,1.72E-04,7.08E-04,-0.001722731,0.001897616,-1.98E-04,-0.001124328,9.52E-04,33.53947896,0.736373763,0.120592688,5.355958813,2.453194635,3.629602572,-2.941158633,-3.411116884,-1.898795624,50.8051555,-1.599743998,-2.78943863,3.031580714,1.582019908,5.367052536,-3.095937418,1.286204123,-4.663931359,0.062490777,9.26E-04,0.013173515,0.004589739,-0.003844244,0.012999341,-0.00761022,-0.012631125,-0.002465657,0.227953708,-0.016576435,-0.013264957,-0.007220263,-0.006013135,0.02806991,-0.01085657,0.022901155,-0.026144465,1.267113263,-0.106391503,-0.067025673,-0.074361789,-0.058010749,0.165731837,-0.057121745,0.148986389,-0.152441328,1.214620957,-0.006147332,0.193062434,0.121742679,0.004282089,0.256390325,-0.150743789,-0.289761249,-0.086719722,-0.560524029,0.018442324,0.0757653,-0.184460151,0.203185773,-0.021152236,-0.120386543,0.101961482,0.021955432,0.003595544,0.159691175,0.073143493,0.108218812,-0.087692437,-0.101704528,-0.056613748,-0.031487828,-0.054904637,0.05967073,0.031138964,0.105639919,-0.060937466,0.02531641,-0.091800356,0.01481034,0.210807353,0.07344666,-0.061516979,0.208020156,-0.12178149,-0.202127829,-0.039456332,-0.072718427,-0.058191449,-0.031674249,-0.026378756,0.123138643,-0.047626206,0.100464062,-0.114691993,-0.083963688,-0.052896355,-0.058685985,-0.045781818,0.130794809,-0.04508022,0.117579378,-0.120306,-0.005061111,0.15894871,0.100231005,0.003525453,0.211086697,-0.12410768,-0.238561048,-0.071396531,1.617985847,0.930989585,0.926725516,1.637256996,1.386771111,1.416285273,1.400151685,1.133765221,1.044626622,1.02297395,0.813889503,0.990388902,0.981657763,1.136394612,1.156316623,1.068430069,1.286671981,1.151837755,0.963842019,0.925935549,0.828704598,1.069757203,0.949698801,1.141862038,0.698210436,0.705872551,0.738246508,1.542460596,1.480583572,1.393966475,1.599173056,0.99930257,1.399696643,1.186193949,1.060906613,0.985320099,0.811773364,1.070204355,0.881851327,1.183151015,1.419616785,1.185937771,1.084624805,1.017660845,0.822110122,1.077999218,0.876893309,1.1921391,0.578772733,0.496428975,0.577817212,1.287905834,1.27867392,1.599417782,1.831187786,1.256182536,311.9793008,156.4896504,228.624624,312.9078722,11.17528115,156.4896504,1,1.83E-15,6.54E-17,-95.01363253,450.677079,16.09560996,17.110103,312.0547112,156.5258868,228.6838743,312.9805548,11.17787696,156.5258868,0.997062316,4.44E-16,1.59E-17,-98.98141738,450.7963154,16.09986841,17.1108437,378.8848822,188.6444521,281.3718167,377.6308995,13.48681784,188.6444521,-1.595977912,2.05E-15,7.34E-17,-94.69328355,558.9718978,19.96328207,17.71307776,312.1338557,156.5639174,228.7460592,313.0568364,11.1806013,156.5639174,0.993979201,9.44E-16,3.37E-17,-96.87085634,450.9214654,16.10433805,17.11162093,449.7420559,222.7064394,337.4630975,446.3405597,15.94073427,222.7064394,-4.329177057,1.55E-15,5.55E-17,-95.47368107,676.7205609,24.16859146,18.2483236,319.8762055,160.2843711,234.8324324,320.5192753,11.44711698,160.2843711,0.692536744,5.55E-17,1.98E-18,-104.8038537,463.2087788,16.54317067,17.18689806,335.7444277,167.7544631,241.3873797,337.0812049,12.03861446,167.7544631,2.079431217,0.004288473,1.53E-04,-15.26510867,485.2139199,17.32906857,17.31685162,0,11.89,15.99793883,-0.312484475,0.295188234,5.076980957,9.830251276,28,66,61,58,20,5,2,0,0,8,47.289866,3.879960555,3.574550674,3.550968364,3.294367666,3.248540987,3.152592014,3.13827711,2.762661742,1.962665206,1.923796747,1.914054909,1.721632257,1.720534273,1.451253564,1.450416293,1.296789184,3.845346264,3.570762896,3.563549195,3.248701324,3.243806319,3.060724307,3.0485464,2.796731248,1.966708584,1.875569095,1.862907985,1.65449091,1.651015117,1.412676652,1.404425787,1.28729807,3.912761697,3.697740549,3.682277908,3.421500311,3.408319949,3.26972828,3.245716341,3.004922385,1.881359202,1.702337973,1.696734737,1.428111812,1.426049694,1.148439957,1.134909311,1.027155112,3.840867031,3.584510742,3.579402912,3.267809353,3.265310503,3.037016819,3.007747421,2.828502471,1.972706265,1.847436053,1.8302564,1.615487011,1.607879857,1.427775591,1.403502376,1.253228182,3.91876631,3.745317771,3.73394298,3.482498408,3.476668844,3.274757439,3.262913307,3.093428021,1.871490437,1.654115634,1.647217773,1.36163749,1.358221982,1.126663306,1.115537855,0.946517818,4.91357744,4.869270854,3.837726453,3.567587376,3.566746235,3.3195882,3.319512119,3.094565813,1.85873229,1.854644437,1.77305216,1.549000211,1.547778707,1.184772151,1.184091357,1.019872706,0,0,2,4,2,6,8,2,0,0,0,0,0.083333333,0.096225045,0,0,0,0.027777778,0.027777778,1.151818338,0,0.248005645,0,0.635919191,0,0.044889595,0,2.93108139,4.207154631,5.506765735,1.368981426,1.512426741,1.429237729,20.77781011,13.56561057,10.55443902,8.48372753,6.117350848,4.734595657,2.946884972,1.708619774,0.742064647,0.484486092,0.310424677,0.206920184,0.132985888,0.091049916,0.061393437,0.035596245,18.16816259,10.99911399,7.575511646,5.353703916,3.177910415,2.073390156,1.069308602,0.457961697,0.64886295,0.3928255,0.222809166,0.130578144,0.069085009,0.039872888,0.022277263,0.009540869,37.15392469,65.19155135,62.18039216,63.04,41.09349341,503.8684036,0.562938253,0.987750778,0.942127154,0.955151515,0.622628688,7.634369751,6.433,113.619,232.4958218,358.8173276,464.9916437,16.60684442,232.4958218,6.11E-16,2.18E-17,-98.08974694,333.3833323,11.90654758,16.26602033,690,0,0,4,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,16,0,0,4,0,0,0,0,0,0,0,0,4,0,10,0,0,4,2,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,36.18389766,6.468531202,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.144518854,0,6.107166271,0,0,2.144518854,0,0,0,0,0,0,0,0,8.543859498,0,9.402060128,0,0,6.774134487,0.73498485,0,0,-0.887920409,0.582317124,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,25.13956445,11.0443332,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.522166602,-0.443960204,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.514029814,0,0.27139239,0,0,0.514029814,0,0,0,0,0,0,0,0,2.11325995,0,0.396470014,0,0,1.639194933,0.367492425,0,0,-0.443960204,0.291158562,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.56978223,5.522166602,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.56978223,1.747872311,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.558229614,0,0.663381519,0,0,0.558229614,0,0,0,0,0,0,0,0,2.158669799,0,1.13505024,0,0,1.747872311,0.367492425,0,0,0,0.291158562,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.56978223,5.522166602,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,61.33333333,2.19047619,0.663381519,12.56978223,-0.150924925,-0.443960204,10.80223526,2.110626871,5.569782226,31.45551431,2.110626871,5.569782226,31.45551431,13.33332,0.47619,0,0.02381,0.51616,0.80952,0.43333,0.49815,0.80952,0.08283,0.01801,-0.06481,0,0.58823,0.12606,0,0.2,0.225,0,24.5,0.875,15.5,0.55357,9,0.32143,-6.5,-0.23214,0,0,33.36843,1.19173,51.21378,17.84536,0.63733,9.6725,0.34545,13.56557,3.89307,0.13904,0.34843,0.01244,0.43443,0.01552,0.090909091,28.04,4,4,4,4,0,0,0.666666667,1.234388884,2.514489019,3.604703968,4.089552453,4.245469029,4.30607509,81.46966635,165.9562753,237.9104619,269.9104619,280.2009559,284.2009559,0.20422045,0.416003485,0.596371431,0.676586002,0.702381239,0.71240806,4.810005235,3.5299051,2.439690152,1.954841667,1.79892509,1.73831903,0.200721893,0.408876816,0.586154828,0.664995222,0.690348554,0.700203603,10.75117912,23.28209912,27.04561473,28.20044959,28.35758622,29.08485894,101.6905439,59.44843841,46.8940879,41.2942526,39.96845063,37.75434582,26.03571429,15.78892734,10.05353956,11,12,7,3.66,3.4014,0.544508966,8.308520058,3.532081816,0,16.30746376,19.67821524,0,5.008288542,0,0,0.2,1.264911064,0.2,0,0,0,0,0,0,0.003,0.843,0.836,1.313,0.722,12.604,34,41,46,52,48,48,50,49,44,468,3.526360525,3.881563798,4.300680995,4.690200435,5.092599232,5.053854413,5.236275726,5.199532407,5.42012009,5.344723739,7.250014311,3.00667735,0.470588235,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,0.571428571,20,0.714285714,2,9,17,0.888888889,4.5,2.888888889,1.625,1.182222222,0.916666667,0.488163265,0.413194444,0.303854875,0.1625,0.140393837,0.160714286,0.08496732,0.042763158,0.031111111,0.024122807,0.014357743,0.012521044,0.008936908,0.006018519,0.007019692,0.412616848,178.1300154,261.6020421,356.2600308,12.72357253,178.1300154,7.22E-16,2.58E-17,-97.6219955,375.9518058,13.42685021,16.60249069,52.6,422.3822443,5.807354922,4.828313737,5.616771098,6.431331082,7.247792582,8.074337694,8.902863672,9.73701966,10.57308459,11.41280674,128.8243209,4.043051268,0,5.262690189,0,6.678342115,0,8.188966864,0,9.755973137,9.995474033,390.2770097,5.913288026,54.92731794,1.961689927,11.14888412,11.14888412,0,2388,38,7.654,124,1.246277329,2.156055474,2.915075408,3.637028901,4.498780413,5.431784807,6.265260037,7.110272045,7.886204518,8.700089223,100.9311541,119.7705676,135.9914755,172.0967307,212.6620868,242.7937736,256.0166418,323.3176666,296.7418352,277.5042139,315.7214944,401.2766622,456.0334418,550.9058942,681.318305,869.0501011,957.3342019,1168.435353,1160.404298,1169.881374,9.42518742,16.14355076,21.42253297,27.5386731,34.41366533,40.91593993,47.01038628,52.71861296,59.47448736,64.59809155,2.22994281,3.011526681,3.493159253,4.116411412,5.091137479,6.646302145,7.406495481,9.026999827,9.144164743,9.534864175,178.0495901,330.4012307,463.3970042,586.1045533,731.2620333,860.366317,1007.660031,1111.371969,1258.950576,1406.060033,3.288735061,5.418700511,6.465875746,9.538704155,12.95160125,14.17873843,15.47739993,17.9229594,20.78761084,19.82572129,0.48473168,0.668825211,0.792515628,0.977599284,1.202647475,1.518072064,1.678181409,2.022409081,2.098460018,2.165171231,645.3779352,1338.126552,24.05401405,129.1960835,-267.8751476,-15.65815743,516.1818517,1606.001699,39.71217148,0.833203696,1.727564467,0.031054507,0.166796304,-0.345835441,-0.020215185,499.8929808,1036.478061,18.63161433,100.0719296,-207.4891296,-12.12840193,0.141805155,0.150228846,1.22638475,0.487731554,726.9871857,47.58683293,0.938563866,0.061436134,2176.317607,46.65101936,12.95907764,2545.274227,50.45071087,13.6535272,5111.64094,71.49574071,17.2260927,1.804770483,1.804770483,8661.711568,6168.782559,2949.991839,1.404120098,2.936181535,2.091118516,9.326186153,10.0785563,15.79156748,0.566848169,10.95143561,16.0640168,12.75900516,62.66763696,27.85147858,31.25851765,24.86013743,40.50151015,36.45242791,33.90470263,25.32575421,47.74169559,32.53078702,29.48879994,20.20934025,35.8069917,28.61995747,26.01038615,14.35636326,23.1321779,24.7688326,22.24505069,19.64531649,17.51882921,22.53367381,8.174123364,8.691293104,4.936895003,4.847750854,2.377060414,0.952210881,15.58831454,1.671604693,24.62596878,5.633998387,13.98377338,9.540139208,9.783950496,11.24505641,7.779424924,6.47525435,14.26402237,7.944912158,4.340473629,7.073461351,11.85255763,6.795746749,3.595484979,0.961509439,4.506696188,5.375331716,4.955767158,1.263677162,0.881795981,3.620951142,0.287684846,0.104261362,0.82799052,0.184972691,0.016741842,2.978731481,15.07811992,3.069387702,25.79853439,5.142554749,14.62921626,9.658030302,11.84680255,12.83870738,11.06935528,8.901173281,17.63285027,9.306865294,7.094995264,7.530715334,14.16540777,9.853375019,6.619255956,2.70044697,7.170261726,6.844351193,6.898067279,3.863334931,3.110256046,5.999543319,1.142516658,0.748397869,1.269448858,0.74330786,0.174462814,10.34749926,16.27976976,13.46636647,61.16455269,28.18071882,31.33452375,26.31373088,40.98036283,37.15437513,34.21433055,24.91524814,46.84257892,32.74808201,28.48006938,21.20503289,35.18590689,27.42004157,24.76513434,13.45376961,21.58924932,24.38782932,20.74232687,18.11245949,16.08729449,20.85160416,7.424241968,7.773394083,4.544814566,4.423113846,2.117918041,4.374877766,14.93189203,4.005954295,28.59627202,6.168258869,15.87380306,10.26747756,14.17762452,14.51830021,13.3957794,10.79076665,20.70905177,10.99984144,9.405402759,8.130500231,16.38524544,12.20745408,9.079845856,4.121347559,9.336698481,8.469623411,8.672869233,5.990061278,4.986682828,8.072378391,1.953494681,1.519761415,1.690449894,1.243407117,0.378956517,13.22546403,16.6139488,16.72001738,79.71802144,39.61915291,38.14836522,31.76397026,52.50459165,47.0092754,43.3436927,31.75020557,60.15040657,42.90834663,39.30172581,26.22362196,44.50451504,36.11984405,33.43322457,19.16529906,29.30217312,32.3019206,28.90996479,25.78426879,23.28811958,29.35686297,11.25384512,12.53518172,6.54816074,6.578024757,3.466719179,6.726618159,14.38766047,12.23447373,56.8618651,28.56599869,28.97346943,31.73651611,40.55505132,29.30921566,32.63590994,19.83006793,37.45870695,32.82108436,20.20550165,21.20556322,30.95920471,20.17834594,15.81780001,8.328238334,13.40595927,18.20304724,12.85207938,9.778489127,8.55559638,12.42061097,3.394441183,3.268728181,2.95727266,2.411115685,0.841655756,20.53833094,7.81330182,1.02080555,0.699238202,0.26600794,0.56381587,0.360986036,0.374594952,29.37243831,189.4136826,382.5970113,0.548857302,1.299396859,15.22753186,7.410605833,0.592716159,0.655487394,0.318998427,0.310982085,0.32473174,0.122149895,23.23085385,126.2632264,216.3792753,0.483231092,0.75786372,17.88280385,7.83545298,0.738325928,0.675930222,0.2961627,0.427991718,0.362825139,0.19323613,26.45658276,159.1083246,289.0190395,0.513895333,0.984052987,20.03967327,7.702750473,1.004025951,0.6971182,0.267954845,0.5368619,0.350786717,0.361673725,28.74644969,182.2147161,365.9432168,0.5456773,1.249322342,19.04958698,7.971978806,0.8169759,0.68428825,0.286364814,0.485364168,0.375587438,0.238130117,27.83854168,173.9388716,325.8457457,0.526432375,1.099081723,20.79323431,7.775116568,1.059011848,0.701825353,0.262430262,0.577841974,0.357530222,0.403630779,29.62736272,191.9240426,392.7616609,0.55273803,1.339002975,20.09908689,7.761330874,1.013175989,0.696106174,0.268803771,0.540041181,0.356141499,0.368328354,28.87359375,184.2231699,371.1478245,0.544159262,1.264511034 +UMLPP0021,L,Iso-nonyl Alcohol,CC(C)CCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCC(C)C,UML,diiso-nonyl pthalate,-44,0,0.2062,0.04251844,111.2554,76.973306,6,6,72,30,42,0,26,0,4,0,0,0,0,0,0,0,4817.413838,5123.820534,6640.704988,6909.757908,7033.783076,6797.517298,5776.699534,5672.729205,5563.732404,13182.51982,16799.72054,23213.25935,25597.03089,24357.48987,22678.09772,22017.48107,21692.54546,20509.61828,531.635768,540.116232,995.403232,1333.534128,1432.247312,1248.479752,1166.301688,1182.41058,1119.805344,93.757958,121.738501,178.1695314,204.9146354,192.6876127,175.803855,175.5501683,172.6732517,161.9101555,11804.99979,10394.27152,20738.54361,29396.35707,32111.09201,27015.20955,25526.81432,25834.51198,24344.53131,238.1666667,180.3333333,320.7222222,386.7777778,451.8333333,479.9166667,348,365.0833333,360.1111111,66.90852553,71.16417408,49.55749991,37.75823993,36.25661379,41.19707453,36.56138946,35.67754217,37.09154936,183.090553,233.329452,173.2332787,139.8744857,125.5540715,137.4430165,139.351146,136.4311035,136.7307886,7.383830111,7.501614333,7.428382328,7.287071738,7.382718103,7.566543952,7.381656253,7.436544528,7.46536896,1.302193861,1.690812514,1.329623368,1.119752106,0.993235117,1.065477909,1.111077015,1.085995294,1.079401036,163.9583304,144.3648822,154.7652508,160.635831,165.5210928,163.7285427,161.562116,162.4812074,162.2968754,3.30787037,2.50462963,2.39344942,2.113539769,2.329037801,2.908585859,2.202531646,2.296121593,2.400740741,0.623197619,-0.342934263,0.043128553,0.05464075,-0.255157856,0.322518692,-0.090014157,-0.08929579,0.086515322,2383.510645,49.42616422,-64.85412225,344.2660872,1072.691504,359.1661593,-154.152702,-328.7872675,-252.6924105,3658.901907,-106.5694468,-495.934084,-195.5691051,1144.888501,308.8868896,-154.5919194,-205.4866834,-389.3041811,4.182221111,0.071530222,1.627356043,0.446506343,0.078025562,2.601846954,-0.64677566,-1.073623509,-0.829996204,16.39503627,-1.099628066,-2.314400246,-3.414258111,2.168024091,1.97122132,-0.684902972,-0.270710924,-2.023542932,90.94538455,-7.049214442,-11.94136078,-22.86952708,6.474993068,12.99560578,-4.011406562,-0.814667569,-11.87688279,81.12808642,-0.334876543,26.67828361,14.50855195,11.99129801,44.2658822,-16.2764489,-25.07220936,-19.64493313,0.008655522,-0.004762976,3.22E-04,2.99E-04,-0.001315247,0.001954659,-5.70E-04,-5.62E-04,5.77E-04,33.10431451,0.686474503,-0.483985987,1.881235449,5.529337648,2.176764602,-0.975650012,-2.06784445,-1.68461607,50.81808205,-1.480131205,-3.701000627,-1.068683635,5.901487116,1.872041755,-0.97842987,-1.292369078,-2.595361207,0.058086404,9.93E-04,0.012144448,0.002439925,4.02E-04,0.015768769,-0.004093517,-0.006752349,-0.005533308,0.227708837,-0.015272612,-0.017271644,-0.018657148,0.011175382,0.011946796,-0.004334829,-0.001702584,-0.013490286,1.263130341,-0.097905756,-0.089114633,-0.124970093,0.033376253,0.078761247,-0.025388649,-0.005123695,-0.079179219,1.126778978,-0.004651063,0.199091669,0.079281705,0.061810814,0.268278074,-0.103015499,-0.157686851,-0.130966221,-0.550281728,0.037184915,0.034496281,-0.151954626,0.225827932,-0.065820389,-0.064884441,0.066635933,0.020736708,-0.014620027,0.0568275,0.167027704,0.06575471,-0.02947199,-0.0624645,-0.050888112,-0.029126074,-0.07282842,-0.021029594,0.11612967,0.036838103,-0.019253577,-0.025431284,-0.051071609,0.017103405,0.20907557,0.042005103,0.006924058,0.271470916,-0.070472891,-0.116246636,-0.095259951,-0.067070792,-0.075849685,-0.08193423,0.049077506,0.052465227,-0.019036718,-0.007477024,-0.059243578,-0.077510414,-0.070550623,-0.098936815,0.026423443,0.062354014,-0.020099786,-0.004056347,-0.062684915,-0.004127751,0.176690968,0.070361363,0.054856201,0.238092899,-0.091424762,-0.139944793,-0.116230621,1.612076665,0.917293731,0.964011104,1.397961779,1.165286702,1.226568964,1.33944298,1.286010154,1.07158113,1.052468261,0.916372673,0.840020183,1.013604817,1.042248221,1.09721649,1.097537351,1.302009265,1.180169555,1.042228836,0.82074778,0.91547073,1.018479348,1.00496694,1.029802685,0.70062249,0.704294297,0.760566164,1.237841345,1.34329388,1.168084643,1.399048588,1.445971596,1.40714839,1.212616541,1.10812952,0.878372658,0.901786553,1.023491436,0.990638875,1.042245175,1.425646631,1.211929302,1.12182358,0.90496387,0.907080862,1.028301309,0.994995296,1.055172212,0.582764262,0.47694731,0.606952471,1.179034068,1.365631587,1.186265518,1.421904537,1.46735044,423.3119752,212.1559876,316.9349851,424.2453085,14.14151028,212.1559876,1,1.44E-15,4.81E-17,-102.5155536,642.49923,21.416641,19.39609686,423.3933812,212.1952217,316.9993466,424.3239727,14.14413242,212.1952217,0.997062316,1.11E-16,3.70E-18,-110.2104017,642.6137471,21.42045824,19.39663152,495.5232511,246.9636366,374.28963,494.2464688,16.47488229,246.9636366,-1.595977912,7.22E-16,2.41E-17,-104.5949952,748.9125922,24.96375307,19.85586683,423.478818,212.2363986,317.0668959,424.406532,14.1468844,212.2363986,0.993979201,1.55E-15,5.18E-17,-102.2932297,642.7339522,21.42446507,19.39719264,572.0081032,283.8394631,435.4177224,568.5447615,18.95149205,283.8394631,-4.329177057,5.55E-17,1.85E-18,-112.2898433,867.9562846,28.93187615,20.29842405,431.8363658,216.2644513,323.6789493,432.4827335,14.41609112,216.2644513,0.692536744,1.72E-15,5.74E-17,-101.9878816,654.5758152,21.81919384,19.45196225,455.3065106,227.5064669,336.7926188,456.687463,15.22291543,227.5064669,2.071428571,0.003219614,1.07E-04,-17.21548155,723.125394,24.1041798,19.75074793,0,11.89,15.99794085,-0.312769047,0.295192566,4.95540625,9.668149401,30,72,67,64,22,5,2,0,0,8,51.662694,3.878705149,3.538447274,3.529584802,3.408312323,3.362997458,3.201323281,3.171565007,2.898105582,1.959221789,1.93098674,1.927122624,1.778253311,1.774832523,1.516598041,1.514243681,1.249629723,3.844565446,3.555194323,3.553344304,3.366568779,3.357112786,3.096071346,3.093917349,2.906463974,1.963638076,1.874803737,1.870754657,1.726786212,1.717379975,1.479400199,1.468963307,1.260417947,3.911173746,3.680402858,3.675529051,3.529171168,3.50747501,3.305577137,3.279059419,3.075040283,1.880349339,1.698711441,1.697227073,1.519496118,1.514344361,1.223010285,1.220521718,1.046898818,3.840195578,3.574081511,3.572829157,3.378833415,3.373160148,3.079974815,3.074550149,2.919977444,1.969829081,1.839982311,1.834342657,1.69990398,1.682555473,1.473500305,1.451279744,1.258485933,3.917094279,3.736301241,3.732924531,3.57715819,3.564527505,3.328250909,3.312110702,3.126855441,1.870518359,1.645086107,1.643260856,1.464367355,1.456755979,1.181429164,1.176969693,1.006963439,4.941730404,4.898691156,3.84826242,3.56249037,3.562217782,3.432042348,3.431192823,3.150013796,1.840874553,1.839516229,1.769888397,1.641796163,1.638003867,1.321803499,1.319405205,0.964653711,0,0,2,4,2,6,10,2,0,0,0,0,0.083333333,0.096225045,0,0,0,0.027777778,0.027777778,1.560066629,0,0.248005645,0,1.044167482,0,0.044889595,0,2.522833099,3.506389866,4.663159823,1.082741604,1.067670597,1.003379159,22.19202368,14.41359136,12.04466218,8.218542544,6.127850201,4.51500305,2.815425567,1.899735981,0.739734123,0.480453045,0.33457395,0.21073186,0.139269323,0.094062564,0.063986945,0.043175818,19.58237615,11.84709478,9.010893258,5.184828647,3.340753278,2.103398799,1.207761475,0.727014631,0.652745872,0.394903159,0.250302591,0.132944324,0.075926211,0.043820808,0.027449124,0.01652306,40.2375803,70.96722505,67.63137255,68.56,44.6906024,549.9249138,0.558855282,0.985655904,0.939324619,0.952222222,0.620702811,7.637846025,7.2132,122.853,292.9993649,454.0950847,585.9987297,19.53329099,292.9993649,2.00E-15,6.66E-17,-101.5392864,414.7118425,13.82372808,18.08275177,916,0,0,4,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,18,0,0,4,0,0,0,0,0,0,0,0,4,0,12,0,0,4,2,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,35.6206912,6.44306394,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.163762894,0,6.24132202,0,0,2.163762894,0,0,0,0,0,0,0,0,8.937377475,0,11.85264399,0,0,6.752958328,1.479556728,0,0,-0.891822493,0.581928105,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,24.8425978,10.7780934,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389046702,-0.445911247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.517883902,0,0.247907567,0,0,0.517883902,0,0,0,0,0,0,0,0,2.234344369,0,0.389157691,0,0,1.632418864,0.739778364,0,0,-0.445911247,0.290964052,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.4212989,5.389046702,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.4212989,1.7440603,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.563997545,0,0.663381519,0,0,0.563997545,0,0,0,0,0,0,0,0,2.234344369,0,1.2432738,0,0,1.7440603,0.739778364,0,0,0,0.290964052,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.4212989,5.389046702,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,64.33333333,2.144444444,0.663381519,12.4212989,-0.082516846,-0.445911247,12.46400021,2.112577913,5.4212989,31.11613736,2.112577913,5.4212989,31.11613736,14.33332,0.47778,0,0.02222,0.50926,0.80222,0.43333,0.49316,0.80222,0.07593,0.0161,-0.05983,0,0.59557,0.11872,0,0.18605,0.2093,0,25.5,0.85,16.5,0.55,9,0.3,-7.5,-0.25,0,0,36.03762,1.20125,53.60908,17.57146,0.58572,10.50111,0.35004,14.41355,3.91245,0.13041,0.50045,0.01668,0.58645,0.01955,0.083333333,30.04,4,4,4,4,0,0,0.692307692,1.215914384,2.438806578,3.517593239,4.086048612,4.183542362,3.877443751,87.54583568,175.5940736,253.2667132,294.1955001,301.2150501,279.1759501,0.197071177,0.395273294,0.570119286,0.662252558,0.678054006,0.628442607,4.954010617,3.731118423,2.652331763,2.083876389,1.986382639,2.29248125,0.19402518,0.389163818,0.561307333,0.652016562,0.667573777,0.618729189,10.53034536,22.51771591,26.30863839,28.33339071,26.59961819,26.29112435,109.24559,65.75965163,52.2738356,43.09323473,48.60300974,51.21921668,28.03333333,17.54320988,13.91715976,12,12,8,3.88,3.6832,0.625645591,7.071247095,3.049557564,0,21.33978024,17.86754772,0,3.155481064,0,0,0.2,1.264911064,0.2,0,0,0,0,0,0,0.003,0.843,0.836,1.313,0.722,13.602,36,39,44,48,44,44,42,43,44,444,3.583518938,3.921973336,4.273187855,4.671659927,5.055050824,5.001426355,5.170306422,5.028393349,5.247846103,5.140932295,7.155591443,2.883445946,0.476190476,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18,0.6,22,0.733333333,2,11,21,0.909090909,4.5,2.444444444,1.625,1.022222222,0.694444444,0.406530612,0.305555556,0.188964475,0.19125,0.123864912,0.15,0.067901235,0.045138889,0.028395062,0.020424837,0.01355102,0.010536398,0.006748731,0.007083333,0.004423747,0.388059129,235.0335611,351.9187227,470.0671221,15.66890407,235.0335611,6.11E-16,2.04E-17,-105.0961574,514.5868572,17.15289524,18.73009308,52.6,456.9742136,5.906890596,4.890349128,5.645446898,6.444131257,7.227662499,8.038834758,8.840580188,9.661734412,10.47709077,11.30645465,132.5322846,4.110873864,0,5.323009979,0,6.698268054,0,8.165363632,0,9.696524882,9.946594934,418.3083098,5.809837636,58.91377079,1.96379236,11.12678651,11.12678651,0,3353,36,9.214,132,1.246559774,2.156492582,2.912862326,3.6318643,4.772807754,5.762590143,6.74170357,7.769344925,8.646241133,9.574332993,99.37201997,115.9925497,122.2010999,153.2858006,209.4813448,229.7305488,259.9988813,308.5142401,340.2832353,452.3784041,314.4230351,396.737501,436.4881364,513.0296692,707.5259877,861.6088502,978.3401694,1116.225109,1252.415379,1607.371025,9.398867765,16.08010941,21.29602488,26.96941415,36.10128587,42.62431559,49.9866491,57.91221696,65.55817905,71.7224316,2.230954363,3.001369872,3.423641164,3.94999753,5.418606101,6.774379115,7.715710266,8.728624181,9.636713301,12.26555651,178.0443075,330.3300445,464.1733312,590.6343677,772.0011982,920.7861115,1083.471443,1250.958355,1411.980371,1495.871004,3.19556038,5.293117081,6.288978338,8.708277718,13.06829977,12.6865623,15.1090134,18.42393008,21.01398884,25.72392879,0.482974248,0.663612875,0.770088903,0.922143014,1.259767157,1.526051613,1.751343742,2.013262255,2.233804684,2.770015038,794.3424086,1731.936419,28.36518791,204.4484031,-445.7670034,-24.13190279,589.8940055,2177.703422,52.49709069,0.795304081,1.734033192,0.028399528,0.204695919,-0.446306672,-0.024161118,793.381899,1729.842182,28.33088905,204.2011865,-445.2279871,-24.10272277,0.134845798,0.142991032,1.166197591,1.270533341,932.2761939,66.51461778,0.933404856,0.066595144,2300.480745,47.96332709,13.20098085,2708.18551,52.04022973,13.93882407,5006.720214,70.75818125,17.10741697,1.54927417,1.028855099,15395.76418,10451.18219,5323.128871,1.473112219,2.892239612,1.963353216,11.944297,12.44768636,19.07537529,0.532443439,12.06703725,17.17813554,11.35633982,78.25180398,28.09371165,18.43516376,20.179308,30.33133652,44.90629847,21.53233377,20.10399105,53.07312267,22.36986301,38.16224907,15.77449388,22.51651165,24.74312927,22.74990081,11.15988741,26.83997866,26.0990945,38.40423422,33.86909348,28.64152296,38.69206015,27.5772089,28.16563955,20.88473438,28.89304728,13.59290312,1.04583564,17.47974649,1.509907497,24.29569435,5.376656438,10.69327277,6.433054934,6.580214398,13.22136069,4.086703319,5.94695868,11.64701042,5.801367093,6.05997822,5.807246169,9.366860106,5.127314111,4.27921526,0.63345666,6.138228853,9.926111362,10.73435789,6.364074197,5.522375193,9.181994488,8.092059284,4.520288204,1.820547943,4.60405977,0.909319473,3.280963587,16.91760343,2.678583316,27.00266149,4.899807599,9.684892458,7.322878974,8.19198354,15.91989572,6.471533441,7.516171921,16.75360159,6.6975314,9.984826359,5.945537959,10.524245,7.799984504,5.401528075,1.689365131,8.670896227,10.52474429,14.28117377,8.973687111,8.596391415,13.35469078,11.08750157,7.781467608,4.653713062,7.969687891,2.131859813,11.40053623,17.47922825,11.91097478,74.73867937,27.85811046,18.9936867,21.08801449,30.80758712,44.82072644,21.40931785,19.91862472,51.62057938,22.49293675,37.19377651,16.08935246,22.05782304,24.12826571,22.77992992,10.24700552,26.87607318,26.54522285,38.02755853,32.91630565,27.23952137,36.23175785,26.26443684,26.58017477,19.34326767,26.84279977,12.33301865,4.820312253,16.70402785,3.510844124,31.38344152,6.077708882,9.754140695,8.205584404,9.933678861,18.50211702,8.11845427,8.812416062,20.96840414,7.853528324,12.99352797,6.480233219,11.79030533,9.784061484,6.73811304,2.721990419,10.6020124,11.5594605,16.82529079,11.51677054,11.04415461,16.76842327,13.43631167,10.37951155,6.912805982,10.75286462,3.376822568,14.57271442,17.36922686,14.93355496,102.1820914,40.05267004,22.63805789,25.57408898,39.84927748,57.22249169,27.82131117,25.26600057,67.30011557,29.29658588,50.3173268,20.25436614,27.09847072,31.62757797,30.41790192,15.37889813,34.04128024,32.82315799,48.76260469,44.10404194,36.85065809,48.54921603,33.43361545,36.31145026,27.01716182,37.12376804,18.80655779,7.441620575,15.7693372,10.94754513,63.01839942,27.02984923,20.64497787,22.89305558,31.59735832,33.91254248,18.18772315,16.37927529,37.32252866,22.61880342,26.31235457,16.669442,18.11541772,19.04059802,21.47112647,5.497184045,22.23350786,25.17424219,32.16972475,23.79669793,19.45533078,23.82540122,17.41311514,18.19012636,10.94244149,16.34043143,6.338049521,32.21675714,12.50146772,0.878440557,0.7065595,0.274175043,0.580588062,0.414814733,0.419992508,45.59666543,442.039052,841.4335811,0.559839251,1.415395303,24.53311022,13.14938332,0.452389477,0.643324649,0.344812473,0.336650165,0.458925018,0.110909705,38.13488301,339.6424338,523.7160223,0.482205683,0.906484889,28.52360468,13.1157975,0.595297218,0.675359481,0.310545539,0.455075364,0.45658485,0.192076795,42.2346994,398.8976433,663.8388795,0.513039222,1.103737009,31.47216911,12.46725261,0.862242441,0.70247768,0.278276552,0.554064857,0.412547172,0.404785859,44.80166417,430.2579168,813.378926,0.55371652,1.371397888,30.22538683,13.03544524,0.673328801,0.68797005,0.29670409,0.511001213,0.451007691,0.245870189,43.93416087,423.130139,732.356773,0.531955074,1.207879093,32.55113939,12.39585385,0.916996477,0.709731962,0.270274216,0.592709733,0.40783552,0.457959529,45.86398971,444.7154009,860.5867046,0.564597942,1.458504781,31.57939555,12.53668752,0.871016043,0.701965589,0.278672948,0.557853629,0.417155221,0.413329757,44.98709911,434.3268303,824.1500643,0.552948384,1.388338607 +UMLPP0022,L,Iso-decyl Alcohol,CC(C)CCCCCCCOC(=O)C1=CC=CC=C(C1)C(=O)OCCCCCCCC(C)C,PubChem,,-47,0,0.0864,0.00746496,121.6796,86.254064,0,0,81,33,48,0,29,0,4,0,0,0,0,0,0,0,5256.302585,5629.255425,7221.830599,7832.920433,7297.155661,7428.141238,6762.379586,6182.411808,6070.306919,14639.57299,18758.69095,25953.90069,29799.07121,27899.58298,25885.63367,24880.00791,24515.77791,23830.47712,594.5681,605.443572,1123.591756,1538.866532,1685.852116,1417.727704,1397.820968,1323.766464,1335.054236,104.7923354,136.7864669,201.2326018,240.2327476,226.4778718,202.7316622,199.8553686,199.9138716,192.494761,13294.88877,11693.38988,23511.1502,33959.63083,37975.89218,31122.14142,30780.5784,29402.39342,29532.0929,250.9166667,196.0555556,348.4444444,430.8888889,500.2777778,456.3333333,479.0833333,366.5,393.5833333,64.89262451,69.49698056,47.51204341,36.94773789,31.86530856,38.89079182,35.97010418,33.96929565,33.53760729,180.735469,231.5887771,170.7493466,140.5616567,121.8322401,135.5268779,132.3404676,134.7020764,131.6600946,7.340346914,7.474612,7.392051026,7.258804396,7.361799633,7.422658136,7.435217915,7.27344211,7.375990254,1.293732536,1.688721813,1.323898696,1.133173338,0.98898634,1.061422315,1.063060471,1.098427866,1.063506967,164.1344292,144.362838,154.6786198,160.1869379,165.8335903,162.9431488,163.7264809,161.5516122,163.1607342,3.097736626,2.420438957,2.292397661,2.032494759,2.184619117,2.389179756,2.548315603,2.013736264,2.174493554,0.625306938,-0.356219674,0.053093537,0.095590724,-0.085572181,-0.184986983,0.229365602,-0.012634055,-0.086263888,2636.011615,50.4351036,-184.8125485,257.1070118,464.4094217,518.3820794,165.4582203,-17.29517482,-206.5793291,4115.991107,-107.774977,-728.0214717,-342.1335186,929.0486662,250.4297198,262.4687553,-237.4112761,-48.29117423,4.261685728,0.084298272,1.646738633,0.4594696,-0.802762269,-0.103106594,2.605241025,-0.130352229,-0.913969936,18.41789787,-1.106452159,-3.351815053,-3.996010594,3.738873221,-1.42398706,2.847746625,-1.84133852,0.292898007,101.9118338,-7.082673083,-17.55539131,-25.88450191,19.13622386,-12.35055339,19.70150393,-11.4490007,2.066361281,82.39780521,0.131344307,26.66159461,11.8072533,-7.961764806,8.947082084,38.91791986,-7.778607597,-21.72019848,0.007719839,-0.004397774,3.49E-04,4.51E-04,-3.74E-04,-9.69E-04,0.00122003,-6.94E-05,-4.77E-04,32.54335327,0.6226556,-1.215872029,1.212768923,2.027988741,2.714042301,0.880096916,-0.095028433,-1.14132226,50.81470503,-1.330555271,-4.789614946,-1.613837352,4.056981075,1.311150365,1.3961104,-1.304457561,-0.266802068,0.052613404,0.001040719,0.010833807,0.002167309,-0.003505512,-5.40E-04,0.013857665,-7.16E-04,-0.005049558,0.227381455,-0.013659903,-0.022051415,-0.018849107,0.016326957,-0.00745543,0.015147588,-0.010117245,0.001618221,1.258170788,-0.087440408,-0.115495995,-0.122096707,0.083564296,-0.064662583,0.104795234,-0.062906597,0.011416361,1.017256854,0.001621535,0.175405228,0.055694591,-0.034767532,0.046843362,0.207010212,-0.042739602,-0.120001097,-0.569671712,0.045247005,0.058407909,-0.048404851,-0.125458351,0.158038249,-0.008992142,-0.061736532,0.019133111,-0.037361609,0.037266256,0.062316527,0.083397746,0.02704383,-0.002920057,-0.035070825,-0.026184453,-0.094256474,-0.031759258,0.079838721,0.025802578,0.027474535,-0.025670868,-0.005250489,0.019780499,0.205913436,0.041193104,-0.066627738,-0.01026022,0.263386589,-0.013612901,-0.095974738,-0.060074834,-0.09697983,-0.082896411,0.071804261,-0.032788204,0.066617519,-0.04449459,0.007116768,-0.069498044,-0.091796755,-0.097043031,0.066417292,-0.051394122,0.08329174,-0.049998456,0.009073777,0.001594027,0.172429635,0.054749782,-0.034177732,0.046048706,0.203498469,-0.042014563,-0.117965385,1.630192307,0.903874036,0.965334221,1.293971735,1.481543917,1.05706728,1.032309068,1.318612875,1.106533894,1.09033921,0.944563862,0.952261184,0.965463332,1.018477944,0.988213436,1.063199996,1.321291399,1.214833643,1.066246985,0.852676987,0.949545365,0.937308409,1.036088451,0.980956334,0.705123166,0.704124138,0.742754361,1.407800464,1.401896794,1.153191856,0.90575395,1.368804444,1.416467321,1.244791168,1.124384563,0.852793504,1.009289149,0.898543045,1.058459566,0.969454359,1.433171594,1.243702187,1.135647972,0.863951717,1.036587897,0.891036418,1.062676353,0.973714735,0.584004795,0.479594617,0.610501495,1.364959596,1.338446445,1.204730384,0.934446455,1.391086419,540.2732944,270.6366472,409.6832917,541.2126883,16.40038449,270.6366472,1,2.78E-16,8.41E-18,-118.2076825,2000487.837,60620.84355,47.87937537,540.3627716,270.679917,409.7543934,541.2994059,16.4030123,270.679917,0.997062316,4.44E-16,1.35E-17,-116.6566705,2000487.903,60620.84555,47.87937548,619.5838833,308.9939527,472.9569015,618.0846313,18.72983731,308.9939527,-1.595977912,1.05E-15,3.20E-17,-113.8021789,2000549.001,60622.69699,47.87947626,540.4566792,270.7253292,409.8290165,541.3904173,16.40577022,270.7253292,0.993979201,7.22E-16,2.19E-17,-115.0544947,2000487.972,60620.84764,47.87937559,703.5011133,349.5859681,540.2938199,699.4343106,21.19497911,349.5859681,-4.329177057,7.22E-16,2.19E-17,-115.0544947,2000617.491,60624.77246,47.87958924,549.6418639,275.1672003,417.1319272,550.2924288,16.67552814,275.1672003,0.692536744,7.22E-16,2.19E-17,-115.0544947,2000494.791,60621.05426,47.87938684,578.5407771,289.0971098,434.0768418,579.92274,17.57341636,289.0971098,2.061494253,2.22E-16,6.73E-18,-118.9440562,2000586.228,60623.82509,47.87953767,0,11.89,15.9979439,-0.313024158,0.290683918,5.07359375,9.988905626,33,81,76,76,28,5,5,0,0,5,58.221936,3.814574363,3.555017257,3.535699697,3.483448544,3.390341603,3.316973745,3.197962694,3.035987991,1.937943095,1.937542086,1.824133789,1.813930086,1.771072478,1.747781393,1.587290986,1.58086716,3.784379499,3.563214036,3.560665182,3.420877827,3.397476131,3.281863158,3.139375334,3.056538469,1.884494221,1.881692722,1.81702575,1.775223755,1.728890851,1.716915355,1.532372693,1.515844138,3.861719988,3.688325091,3.681981186,3.578571364,3.539740078,3.432015617,3.319638157,3.212180788,1.714569276,1.707021923,1.682071833,1.635590333,1.549370514,1.544958833,1.293524008,1.278222633,3.782747224,3.581963887,3.580353447,3.428210544,3.415407866,3.264402092,3.141144595,3.07804972,1.860796627,1.848110046,1.814873047,1.7656889,1.693081799,1.688061675,1.503390931,1.475569539,3.874253551,3.743418528,3.73950195,3.618337552,3.598417333,3.450700557,3.367286533,3.273663533,1.687756549,1.655612669,1.643230072,1.613055924,1.492617083,1.486838085,1.23544729,1.210925607,4.962157955,4.95067702,3.80598638,3.574095273,3.57356595,3.469215178,3.46582681,3.243890368,1.841057611,1.840819598,1.685140651,1.678067652,1.63269816,1.502612437,1.403806159,1.402890909,0,0,2,4,2,6,13,2,0,0,0,0,0,0,0,0,0,0,0,1.621234435,0,0.23570226,0,1.103954059,0,0.034020691,0,2.574538213,2.991019173,3.727188571,1.129893791,1.058250367,0.998311363,24.31334402,15.89675461,13.17992132,8.996685205,6.394690125,4.749711098,3.465591014,2.148332918,0.736768001,0.481719837,0.3379467,0.219431346,0.145333866,0.09693288,0.06538851,0.043843529,21.70369649,13.30420156,10.11790328,5.92914517,3.831956604,2.48018493,1.564077656,0.903688119,0.657687773,0.403157623,0.259433417,0.144613297,0.087089923,0.050616019,0.029510899,0.018442615,44.86306371,79.63073562,75.80784314,76.84,50.08626587,619.009679,0.553864984,0.983095501,0.935899298,0.948641975,0.618348961,7.642094803,7.65727,136.111,350.4835782,535.1591747,700.9671565,21.24142898,350.4835782,6.11E-16,1.85E-17,-115.6057732,2000388.531,60617.83427,47.87921155,1154,0,0,4,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,20,1,0,4,0,0,0,0,0,0,0,0,4,0,15,0,4,0,2,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,35.80476533,7.390349377,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.037549742,0,0,6.588494947,0.748611111,0,2.037549742,0,0,0,0,0,0,0,0,9.031303397,0,15.06342074,0,7.037587714,0,1.543494481,0,0,0.352761663,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,24.90596294,10.8988024,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.449401198,-0.331985744,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.500240459,0,0,0.238635489,0.748611111,0,0.500240459,0,0,0,0,0,0,0,0,2.257825849,0,0.258999014,0,1.738281023,0,0.77174724,0,0,-0.331985744,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.45298147,5.449401198,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.45298147,1.780512834,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.518534412,0,0,0.645879039,0.748611111,0,0.518534412,0,0,0,0,0,0,0,0,2.257825849,0,1.285104749,0,1.780512834,0,0.77174724,0,0,0.508366575,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.45298147,5.449401198,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,68.83333333,2.085858586,0.748611111,12.45298147,-0.106051977,-0.331985744,13.73886219,1.99865241,5.452981469,31.67213746,1.99865241,5.452981469,31.67213746,15.83332,0.4798,0,0.0202,0.50082,0.79293,0.43333,0.48697,0.79293,0.06749,0.01385,-0.05364,0,0.60509,0.1092,0,0.16842,0.18947,0,25.5,0.77273,18,0.54545,7.5,0.22727,-10.5,-0.31818,0,0,42.93935,1.30119,60.24099,17.30163,0.52429,12.11502,0.36712,15.89671,3.78169,0.1146,0.51729,0.01568,0.60329,0.01828,0.086419753,33.04,4,4,4,4,0,0,0.724137931,1.192200017,2.398682827,3.561348151,4.129732102,4.327262966,4.064813818,96.56820134,194.293309,288.4692002,334.5083002,350.5083002,329.2499193,0.188048616,0.378350091,0.561740128,0.651392714,0.682549739,0.641152995,5.147649986,3.941167176,2.778501852,2.210117901,2.012587037,2.275036185,0.185519903,0.373262372,0.554186341,0.642633358,0.673371411,0.632531334,10.24531695,22.2248365,25.97766418,28.17896612,27.29239576,26.04819418,120.645341,72.59032957,57.94174943,46.71679633,49.22142843,55.89765119,31.03030303,20.21827745,17.13265913,13,12,9,4.21,4.1059,0.572357121,7.504495776,2.73115233,0,27.72803818,19.20795906,0,2.569164818,0,0,0.166666667,1.154700538,0.166666667,0,0,0,0,0,0,0.003,0.843,0.836,1.313,0.722,15.099,39,41,44,49,53,49,51,48,47,487,3.663561646,3.951243719,4.204692619,4.430816799,4.779123493,5.062595033,5.105945474,5.318119994,5.272999559,5.135798437,7.152268856,2.620123203,0.5,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20,0.606060606,24,0.727272727,2,12,24,1,5,2.444444444,1.375,0.87,0.764444444,0.396825397,0.300382653,0.235339506,0.149382716,0.155702479,0.151515152,0.062678063,0.033536585,0.023513514,0.020116959,0.011671335,0.009386958,0.007591597,0.004979424,0.005369051,0.364012331,290.7307612,439.3735408,581.4615225,17.62004613,290.7307612,5.55E-17,1.68E-18,-123.5188276,2000413.142,60618.58007,47.87925215,52.6,519.7621674,6.044394119,4.976733742,5.720311777,6.502790046,7.270312886,8.061802275,8.844336333,9.643744849,10.43755107,11.24385577,138.7014387,4.204692619,0,5.407171771,0,6.748759547,2.708050201,8.163656176,5.093750201,9.627536403,9.905285934,460.35526,5.683398272,64.96347189,1.968590057,11.12226639,11.12226639,0,4560,41,10.241,144,1.248586287,2.15883873,2.921309774,3.659457499,4.848471248,5.811492762,6.930967358,7.994432422,9.058074243,10.09257328,97.70896326,112.3581566,121.2598975,140.6364774,213.1658019,236.4579466,260.9822969,292.5984418,346.9440565,377.545798,313.5480895,393.5657773,443.0183375,507.5193705,716.3177992,842.5165598,1003.211655,1119.419918,1281.330642,1420.56944,9.379377189,16.01953731,21.27422334,27.08004886,36.21590463,43.47272967,50.63375329,59.07265283,67.22259456,75.95070332,2.23687969,3.002477399,3.492855954,3.988489516,5.47769966,6.612761231,8.029009734,8.910780131,10.11279586,11.07660933,178.2510306,330.3452818,463.8599174,595.4884722,780.9855875,939.243109,1107.886561,1292.852362,1459.470107,1650.996975,3.098380912,5.082183418,6.06394304,8.264470397,12.00279615,15.35163879,14.32368802,17.57384254,20.96598924,23.66345984,0.481772009,0.659951264,0.777583232,0.916746403,1.276185299,1.506186607,1.79242464,2.02237091,2.321011389,2.553897069,821.3410595,1887.203535,27.04306955,175.8153222,-403.9726174,-26.0057215,645.5257373,2291.176152,53.04879105,0.8236833,1.892585325,0.027120189,0.1763167,-0.405124637,-0.026079883,819.0054791,1881.837048,26.96616939,175.3153706,-402.8238735,-25.93177115,0.125985554,0.135797887,0.095089819,1.20275196,922.0396415,75.11674026,0.924669047,0.075330953,2468.258245,49.68156846,13.514403,2934.085226,54.16719695,14.31608412,5131.270148,71.63288454,17.2481145,2.306051593,2.306051593,23646.42431,17759.92155,6617.077599,1.331448691,3.573544961,2.683952438,13.85326478,14.46896624,22.95278142,0.586345633,13.74032312,20.45824416,17.01423367,95.54475663,29.63964244,16.47767777,27.6937907,26.78159549,54.51503407,17.78695168,16.16167609,55.44318976,28.02866869,51.07014275,18.51869295,35.44642725,35.70849193,25.96383084,35.09483295,21.43911553,27.27487515,40.14235429,30.65534843,31.8980668,24.54594112,27.38779452,35.22883856,28.24120792,46.968092,26.51589297,1.186155334,20.75972879,1.976228638,29.31219562,4.938335511,5.012335914,5.084974431,7.395980504,14.52694626,5.180725439,6.039209325,11.93142131,5.475411225,10.54034493,2.510291239,11.08952852,9.977905117,7.860388679,10.06447082,4.063846917,7.98944972,10.61454043,4.598120242,6.385788185,6.014274363,4.413197077,8.290938431,3.888960489,9.208243257,7.348711073,3.734194359,20.19759441,4.189967771,34.77744807,5.574746956,6.176083403,7.02376121,8.948183551,18.39716736,5.00756107,6.478001072,17.18019337,8.198570828,16.6989105,4.273859258,12.92214157,13.88631885,8.943482428,11.95445311,6.288272548,9.554108183,14.244241,7.544826889,10.52255598,7.743318138,6.983204502,12.2668599,7.068951987,14.20578086,9.250082415,12.97997501,20.75932309,17.24586252,90.96527044,27.50695469,16.18905673,27.79848842,26.15969334,52.98795952,18.37676875,16.19153658,54.3510605,26.75092329,48.86533311,17.10588625,34.82726769,34.66083525,26.04410394,35.20717061,20.29021505,26.9044134,39.27814894,30.33091196,30.02531868,24.08758635,25.94811521,34.43149589,27.53610973,43.698015,25.95648327,5.48834667,19.98402987,5.743980884,40.60384859,7.3569872,7.234711273,8.853562287,10.59681297,22.04689063,5.864228822,7.225005222,21.64595658,10.54040723,21.32016566,5.906305035,15.03071498,16.72808665,10.27862232,13.95325826,8.111112254,11.16487978,17.11067407,9.88557896,13.66467305,9.369969523,9.203955579,15.19153986,9.570962039,18.44111767,11.00951297,16.59347383,20.64939339,21.79327854,123.5507601,41.61679032,20.68778252,36.38379114,34.49273699,69.83367496,23.22301535,20.51297214,70.41639409,36.00125251,64.00942398,24.74509367,44.7016118,44.02710837,33.28757947,44.69206928,27.73784397,34.85179243,50.8024138,40.4068105,39.52281658,31.67552688,36.36237399,43.81024614,36.44059316,60.16495848,33.65818198,8.520482193,19.23070681,14.7104408,67.89139681,15.92400567,13.04296972,25.47982067,25.11347341,40.36071723,19.30431758,17.45210655,49.54582305,21.04284573,32.46223683,9.826142516,27.43316295,25.55162105,25.27327425,33.85555621,13.81641548,21.85679053,33.35724445,28.23748267,18.85107928,17.80677615,16.15823518,30.05085643,23.24537597,27.47388307,20.21992346,47.73603184,13.60771182,1.129370657,0.764105205,0.217817088,0.589475493,0.450006229,0.415652704,62.47311432,718.8579889,1514.945622,0.646157808,1.455134426,37.78670677,14.4166454,0.793321653,0.713001478,0.272029249,0.369880859,0.505100178,0.19201929,52.99667382,586.1716017,1071.336237,0.569502217,1.067000326,42.95846654,14.17379382,0.854681183,0.740830011,0.244430788,0.477575015,0.488225814,0.233832221,57.98694154,657.7143153,1236.103337,0.611245017,1.19963305,46.80755508,13.62658515,1.135191169,0.760241406,0.221320986,0.566835382,0.451255328,0.417710274,61.56933139,706.431437,1492.056499,0.640362109,1.435800984,45.13610542,14.03275421,0.9042446,0.751352972,0.233594624,0.527078024,0.478557714,0.264992229,60.07310423,686.8869951,1319.694046,0.627029459,1.270627967,48.17358869,13.5271423,1.173109456,0.766194467,0.215147384,0.600323067,0.444693104,0.448749934,62.87384045,724.0327004,1551.364478,0.649291701,1.493766106,46.96249602,13.71635195,1.149041399,0.759568158,0.221847326,0.570590329,0.4572203,0.42809751,61.82788937,713.8766322,1515.864277,0.639352236,1.455908139 +UMLPP0023,L,Iso-tridecyl Alcohol,CC(C)CCCCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCCCCC(C)C,UML,diiso-tridecyl phthalate,-43,0,-2.0978,4.40076484,134.5482,101.721994,6,6,96,38,58,0,34,0,4,0,0,0,0,0,0,0,5987.78383,6471.64691,8190.373284,8483.81174,8607.836908,8371.57113,7350.753366,7246.783037,7050.026308,17067.99494,22023.64162,30521.63624,33651.41765,32411.87663,30732.48448,30071.86783,29746.93222,28740.13387,699.45532,714.322472,1337.239296,1836.613328,1935.326512,1751.558952,1669.380888,1685.48978,1622.60488,123.1829645,161.86641,239.6710525,277.0868662,264.8598436,247.9760858,247.7223992,244.8454825,235.8239537,15778.03707,13858.58713,28132.1612,41227.99831,43942.73325,38846.85079,37358.45556,37666.15322,36187.19806,272.1666667,222.3333333,394.7222222,484.7777778,549.8333333,577.9166667,446,463.75,451.5,62.37274823,67.41298865,45.00205101,33.26984996,32.36028913,35.32308494,31.95979724,31.37135514,31.75687526,177.791614,229.4129335,167.701298,131.9663437,121.8491603,129.6729303,130.7472514,128.7745983,129.4600625,7.285992917,7.440859083,7.347468659,7.202405208,7.275663579,7.390544101,7.258177774,7.296492554,7.309030991,1.28315588,1.686108437,1.316873915,1.086615162,0.995713698,1.046312598,1.07705391,1.059937154,1.062270062,164.3545528,144.3602826,154.5723143,161.6784248,165.1982453,163.9107628,162.4280677,163.0569403,163.0053967,2.835069444,2.315972222,2.168803419,1.901089325,2.067042607,2.438466948,1.939130435,2.007575758,2.033783784,0.657140309,-0.342934352,0.026155318,0.054616052,-0.255338997,0.322127727,-0.086689537,-0.072709928,0.013685722,3052.526168,51.69627783,-385.654793,430.1520818,1111.678631,467.156695,-59.98902011,-232.7381788,-239.2997812,4874.958785,-109.2818897,-1112.230426,-119.3193315,1140.656996,363.2306305,-85.97995411,-144.9847172,-149.3095939,4.380779833,0.100258333,1.659694899,0.610495318,0.352886212,3.022320536,-0.389656517,-0.762424057,-0.782694698,21.78516177,-1.114982275,-5.068361607,-3.249437045,2.080898558,2.00531938,-0.566677154,-0.189656414,-0.195992783,120.175656,-7.124496384,-26.85222574,-22.214656,6.011529378,13.00567959,-3.586922851,-0.567417163,-0.588061985,84.19328704,0.77662037,27.64744888,18.0947989,17.93202643,53.13335503,-10.3971113,-17.27586082,-17.7629485,0.006845212,-0.003572233,1.44E-04,2.14E-04,-9.60E-04,0.001359189,-3.77E-04,-3.15E-04,6.16E-05,31.79714758,0.538502894,-2.118982379,1.686870909,4.179242974,1.971125296,-0.260821827,-1.007524584,-1.077926943,50.78082068,-1.138353018,-6.111156188,-0.467918947,4.288184194,1.532618694,-0.373825887,-0.627639468,-0.672565738,0.045633123,0.001044358,0.009119203,0.002394099,0.00132664,0.012752407,-0.001694159,-0.003300537,-0.003525652,0.226928768,-0.011614399,-0.027848141,-0.01274289,0.007822927,0.008461263,-0.002463814,-8.21E-04,-8.83E-04,1.25182975,-0.074213504,-0.147539702,-0.087116298,0.022599735,0.054876285,-0.015595317,-0.002456351,-0.002648928,0.877013407,0.008089796,0.15190906,0.070959996,0.067413633,0.224191371,-0.045204832,-0.074787276,-0.080013282,-0.521858646,0.020994317,0.031289113,-0.140232487,0.198560513,-0.055061999,-0.045982741,0.009005915,0.016935572,-0.066640644,0.053051014,0.131434525,0.061990633,-0.00820268,-0.031686005,-0.033900114,-0.022416987,-0.120343785,-0.009214482,0.084444957,0.030181054,-0.007361557,-0.012359774,-0.013244483,0.022885956,0.199837357,0.052464068,0.029071863,0.279455063,-0.037125637,-0.07232766,-0.077260804,-0.051180812,-0.122717542,-0.056153702,0.034473051,0.037285987,-0.010857212,-0.003617979,-0.003890429,-0.059284023,-0.117859239,-0.069591171,0.018053361,0.04383686,-0.012458017,-0.001962209,-0.002116045,0.009224255,0.173211787,0.080910959,0.076867278,0.255630495,-0.05154406,-0.085274952,-0.091233818,1.610863865,0.937873371,0.935604095,1.349184121,1.091806199,1.131477298,1.226198696,1.20971998,1.153653555,1.140824539,0.92348814,0.866711662,0.991636539,1.010144477,1.050014871,1.058639007,1.346259023,1.258297671,1.026408092,0.865026816,0.936244475,1.007821808,0.998546369,0.999504237,0.714080006,0.7075947,0.729487811,1.184138486,1.22933404,1.060778377,1.265717579,1.312397151,1.428449698,1.28485601,1.076163842,0.909070064,0.928491513,1.013301714,0.99060628,0.991227426,1.442823342,1.283449846,1.086363488,0.928262961,0.931213249,1.015921181,0.992817459,0.994133063,0.587032429,0.477553597,0.579296492,1.125645865,1.244868139,1.070302895,1.278152171,1.327427809,743.2219247,372.1109623,563.1948389,744.1692931,19.58340245,372.1109623,1,9.44E-16,2.48E-17,-131.4675907,1054.489366,27.74972016,26.45108528,743.327557,372.1623096,563.2813702,744.2721423,19.58610901,372.1623096,0.997062316,4.44E-16,1.17E-17,-134.3319236,1054.609292,27.7528761,26.45151742,836.8780147,417.6410184,640.3225259,835.5340333,21.98773772,417.6410184,-1.595977912,2.22E-15,5.84E-17,-128.2160595,1169.796028,30.78410599,26.84542177,743.4384196,372.2161994,563.3721873,744.3800841,19.58894958,372.2161994,0.993979201,2.50E-15,6.57E-17,-127.768484,1054.735187,27.75618914,26.45197103,936.0379963,465.8544096,722.6208117,932.3923735,24.53664141,465.8544096,-4.329177057,3.05E-16,8.03E-18,-135.7557587,1303.985639,34.31541156,27.25808677,754.2823042,377.4874205,572.2617386,754.9383916,19.86679978,377.4874205,0.692536744,5.55E-16,1.46E-17,-133.4839781,1067.202867,28.08428598,26.49662617,793.2549038,396.3364827,594.8626805,794.6398111,20.91157398,396.3364827,2.048832866,0.001872263,4.93E-05,-23.86630728,1231.468647,32.40706965,27.04065848,0,11.89,15.99794898,-0.312769047,0.295248473,4.95540625,9.668157516,38,96,91,88,30,5,2,0,0,8,69.154006,3.878703506,3.552318032,3.548618051,3.475673418,3.455742259,3.347099077,3.305913266,3.173946968,1.960452011,1.949402573,1.945589277,1.870276665,1.867778232,1.730680686,1.728285643,1.542722302,3.844563865,3.575439826,3.574708376,3.478090338,3.474500069,3.304287877,3.295772146,3.10030438,1.963627045,1.892232796,1.890271793,1.813933404,1.80880324,1.675882946,1.668501549,1.492746009,3.911169352,3.697345963,3.69530199,3.614577547,3.605433092,3.471465104,3.451568958,3.298417273,1.880345032,1.71894319,1.718315814,1.627219051,1.624875738,1.462713712,1.458543659,1.245550391,3.840193958,3.595117777,3.59461946,3.496181474,3.493905827,3.317158315,3.312360173,3.092428401,1.969814125,1.856168396,1.853624006,1.780224809,1.771641136,1.647081319,1.632528945,1.47489775,3.91708752,3.754413256,3.752969226,3.669937349,3.664308597,3.521102999,3.510203232,3.333172381,1.870515339,1.665109099,1.664360432,1.571944068,1.568762285,1.405242197,1.39873705,1.194153057,5.024441297,4.984859461,3.878898508,3.589359989,3.589214821,3.523458209,3.522682371,3.380316566,1.848176233,1.847841478,1.757568316,1.746449673,1.732274747,1.575838009,1.573438205,1.350359172,0,0,2,4,2,6,18,2,0,0,0,0,0.083333333,0.096225045,0,0,0,0.027777778,0.027777778,1.560066629,0,0.248005645,0,1.044167482,0,0.044889595,0,2.522833099,3.506389866,4.663159823,1.082741604,1.067670597,1.003379159,27.84887793,18.41359136,14.87308931,10.21854254,7.542063764,5.51500305,3.522532348,2.399735981,0.732865209,0.484568194,0.338024757,0.217415799,0.145039688,0.098482197,0.067741007,0.046148769,25.2392304,15.84709478,11.83932038,7.184828647,4.75496684,3.103398799,1.914868257,1.217319922,0.664190274,0.41702881,0.269075463,0.152868695,0.09144167,0.055417836,0.03682439,0.023409998,52.57220273,94.06991988,89.43529412,90.64,59.07903832,734.1509545,0.547627112,0.979894999,0.931617647,0.944166667,0.615406649,7.647405776,10.334,159.789,473.6278181,738.0273688,947.2556362,24.9277799,473.6278181,9.16E-16,2.41E-17,-131.581032,631.4635642,16.61746221,24.50255292,1604,0,0,4,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,26,0,0,4,0,0,0,0,0,0,0,0,4,0,20,0,0,4,2,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,36.13957111,6.562940298,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.134700203,0,8.059570593,0,0,2.134700203,0,0,0,0,0,0,0,0,9.155616171,0,22.84730499,0,0,6.826901364,1.627900768,0,0,-0.868339529,0.604378462,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,25.19798493,10.94158618,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.470793088,-0.434169764,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.511049479,0,0.226123667,0,0,0.511049479,0,0,0,0,0,0,0,0,2.288904043,0,0.397152721,0,0,1.65216482,0.813950384,0,0,-0.434169764,0.302189231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.59899247,5.470793088,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.59899247,1.761285862,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.556300623,0,0.663381519,0,0,0.556300623,0,0,0,0,0,0,0,0,2.288904043,0,1.348711353,0,0,1.761285862,0.813950384,0,0,0,0.302189231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.59899247,5.470793088,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,76.33333333,2.00877193,0.663381519,12.59899247,-0.120096094,-0.434169764,17.94404009,2.100836431,5.598992466,32.59037456,2.100836431,5.598992466,32.59037456,18.33332,0.48246,0,0.01754,0.49028,0.7807,0.43333,0.47909,0.7807,0.05694,0.01119,-0.04575,0,0.61798,0.09631,0,0.14545,0.16364,0,29.5,0.77632,20.5,0.53947,9,0.23684,-11.5,-0.30263,0,0,51.96077,1.36739,70.93177,18.971,0.49924,14.50111,0.38161,18.41355,3.91245,0.10296,0.50045,0.01317,0.58645,0.01543,0.0625,38.04,4,4,4,4,0,0,0.764705882,1.16062256,2.190977343,3.163714386,3.742829493,4.095713679,4.17561374,111.4197657,210.3338249,303.7165811,359.3116313,393.1885132,400.8589191,0.176253481,0.332724346,0.480445316,0.568390403,0.621979803,0.634113518,5.424339941,4.393985158,3.421248114,2.842133008,2.489248822,2.40934876,0.174314463,0.329063946,0.475159792,0.56213737,0.615137217,0.627137445,9.862698596,19.98899013,23.46040402,25.8856623,26.43704936,26.77984039,139.7822773,93.36039369,78.86792252,64.67237224,59.47379701,58.57328847,36.02631579,24.76859504,20.53417836,16,12,12,4.76,4.8104,0.504517134,7.99884861,2.32080044,0,0,19.8010829,0,2.550796071,0,0,0.2,1.264911064,0.2,0,0,0,0,0,0,0.003,0.843,0.836,1.313,0.722,17.594,44,47,52,56,52,52,50,51,50,530,3.784189634,4.069026754,4.378896742,4.743844581,5.104808464,5.053854413,5.214765906,5.079461485,5.289055861,5.164071433,7.219092841,2.574056604,0.482758621,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26,0.684210526,30,0.789473684,2,15,29,0.933333333,4.5,2.444444444,1.625,1.022222222,0.694444444,0.406530612,0.305555556,0.238347191,0.19125,0.156922763,0.118421053,0.055555556,0.036931818,0.023232323,0.016534392,0.010698174,0.008258258,0.006620755,0.005464286,0.004615375,0.319177115,400.3512434,607.9950595,800.7024868,21.07111807,400.3512434,3.05E-15,8.03E-17,-127.0059353,829.5939252,21.83141908,25.53955807,52.6,595.3420906,6.247927513,5.105945474,5.84932478,6.629363253,7.398174093,8.191740021,8.978786553,9.784309795,10.58630658,11.40236255,149.9263131,4.343805422,0,5.533389489,0,6.878326468,0,8.313116703,0,9.813398718,10.07276608,530.4335103,5.525349066,74.91379042,1.971415537,11.13119918,11.13119918,0,7229,44,13.766,164,1.247336497,2.157664609,2.902952333,3.6301534,4.830160575,5.832106478,6.917459902,7.979715239,9.013189082,10.01511669,95.08440116,105.8624796,109.5398683,139.7321561,185.3694277,206.8702566,236.2671877,273.4327999,311.3366083,349.741418,310.8522721,384.566563,414.2921158,504.9397231,680.1872002,827.2122365,950.5048656,1094.195032,1236.605276,1377.074129,9.326488716,15.91000293,20.97741806,26.58389904,35.7096375,42.44020516,50.37099344,58.26540344,65.94612316,73.50301081,2.233736133,2.974136228,3.328844998,4.000215551,5.399892367,6.696766206,7.732566209,8.879698264,10.0090843,11.10211762,178.0297802,330.1391718,465.5060607,587.7392436,781.9974085,935.2910755,1115.998816,1288.957669,1456.496384,1619.542049,2.960482785,4.794050613,5.647079639,7.767931215,11.21456406,11.36273049,13.60274973,15.9944365,18.41119447,20.91012116,0.478141311,0.649636942,0.738229827,0.910229378,1.223625262,1.483350772,1.721841811,1.985068561,2.244917867,2.500214981,994.4363352,2591.315504,33.84039018,193.1897859,-503.4165282,-23.30865804,801.2465493,3094.732033,57.14904822,0.837331141,2.181928688,0.028494144,0.162668859,-0.423884688,-0.019626259,1181.018567,3077.513981,40.18973133,229.437236,-597.8706187,-27.68197114,0.112828368,0.119643659,0.975782503,1.063082459,1121.111503,66.51461778,0.943993639,0.056006361,2797.133299,52.8879315,14.0897857,3359.83064,57.9640461,14.97749312,5997.832783,77.44567634,18.16901783,1.671837891,1.045874154,36394.31756,25202.81982,11625.27562,1.444057364,3.130619759,2.167933101,16.14800037,17.28560088,25.66428636,0.484720522,16.5294461,24.766274,13.72699988,118.0348261,43.89250884,18.43528889,26.5338126,31.4355563,79.82148678,21.77882779,20.10723967,89.87681357,23.74524982,86.70429682,14.19042026,23.53400934,46.19379132,24.70744134,57.76322682,29.68898218,32.54184669,39.83774636,31.51486191,40.10558407,36.01354842,49.31758833,34.08770448,44.51817309,33.19308416,34.5858052,1.420334694,25.06754811,1.686842954,32.40283514,5.489187191,10.69339687,7.413527471,6.587994352,21.85297792,4.088439615,5.950207288,14.14880301,5.811054059,15.25740277,5.608500207,9.390491012,7.234739716,3.381631837,10.29307011,6.030628538,11.02312827,10.08597975,5.420937655,8.475175363,7.781825888,14.13580281,8.070569764,9.356052703,5.073513191,9.990199409,4.489892182,24.50542818,3.26426057,37.25230113,6.062583341,9.685016628,9.400184738,8.273034329,27.87675582,6.489625269,7.519420532,25.11612997,6.798477015,25.12909379,5.632000328,10.61436791,12.17915456,5.04109542,17.0695088,9.111744283,12.25130904,13.7503467,6.544474626,12.96037252,11.72928308,18.21067162,11.92255463,11.70699796,8.935249115,12.58522504,15.61268618,25.06732996,14.13352406,111.0531133,41.93542089,18.99381171,27.11348179,31.79142903,77.4052417,21.62893973,19.92187334,85.92068006,23.71838163,82.58984185,13.98858863,22.96719965,42.9763862,23.85848851,54.24651893,28.22846058,32.93883718,37.50591098,31.414666,37.69761028,34.36958768,48.30509889,32.79415991,44.55525604,30.87208901,34.55885059,6.602050569,24.29188204,4.388702827,44.38749409,8.600316211,9.754264953,11.03586781,10.10972501,33.34730926,8.1577516,8.815664675,33.69293426,8.072795682,32.83896869,6.205588736,11.96631715,16.40780974,6.841202564,22.49249488,11.76423584,13.86041272,16.90226038,8.261096341,16.57512032,14.83192533,21.72559125,14.8575897,14.27521613,12.13207627,14.73128916,19.96171937,24.95751975,17.86828565,156.5442682,63.08962596,22.63818349,33.14691932,41.45966898,101.5864491,28.18079882,25.2692492,113.8317914,31.30245828,111.3447174,17.89860163,28.57492478,60.23184874,33.39923576,73.55275264,37.32140263,40.78392356,50.75154534,43.07404507,50.66761079,45.51241427,61.33199403,42.36297824,59.15276543,42.77406381,43.70447764,10.33180386,22.9844748,12.77002385,84.86384572,34.31624641,21.65200959,27.7465051,33.5553836,54.63378997,19.1678668,17.18090806,58.42371257,24.24128841,54.0380535,15.10028588,19.49897526,27.13366894,19.96262603,33.5081137,21.45831277,29.72147204,25.64063755,29.8263166,24.29156581,25.55349416,39.3583764,26.11972656,40.67076021,17.85077749,35.38369139,58.25291075,20.43915515,0.831143563,0.73252716,0.257021256,0.576774735,0.456722047,0.405565011,79.52320947,1256.044685,2325.1609,0.598790739,1.439061793,47.10671973,22.70385809,0.408802977,0.670850685,0.323327518,0.377159278,0.563539586,0.097622802,70.2193808,1098.043052,1605.478967,0.506276028,1.038321665,53.11225424,21.74740602,0.553698142,0.704281779,0.288376045,0.479457818,0.517060021,0.17925671,75.41335841,1196.503413,1911.467891,0.556422669,1.175774549,57.20099491,20.56962957,0.817377136,0.727859135,0.261740077,0.556133054,0.462571616,0.392321572,78.58800162,1240.171207,2280.487825,0.591788703,1.411026242,55.5523691,21.3028901,0.630092534,0.716940271,0.274927965,0.524526873,0.496138782,0.232308071,77.48535174,1231.851939,2055.005186,0.575410407,1.252973727,58.69889651,20.28256456,0.868708366,0.735112986,0.254007784,0.585642439,0.449750672,0.443314365,79.85016944,1259.176014,2373.279227,0.602669479,1.478707476,57.35600864,20.64483635,0.824875152,0.727630633,0.261904824,0.559153279,0.465960297,0.399755723,78.82572014,1248.446371,2304.011223,0.591445949,1.424869299 +UMLPP0024,L,7 (Trimellitic anhydride),CCCCCCCOC(=O)C1=CC=C(C=C1C(=O)OCCCCCCC)C(=O)OCCCCCCC,UML,,-45,0,-3.588,12.873744,121.6773,89.618064,6,6,84,36,48,0,30,0,6,0,0,0,0,0,0,0,5912.502708,6205.747392,7930.173342,8631.83815,9072.323071,9195.332439,8938.175926,9018.766534,8558.073417,15495.87145,19666.87945,26704.25371,29319.49457,29002.41822,28296.15996,28269.87366,28522.88385,28595.24023,628.812048,635.545224,1171.329312,1541.622952,1547.053036,1460.480796,1407.35764,1430.19316,1389.075996,108.8676434,140.8044869,203.0609175,228.5003479,217.620506,210.1726386,212.6459963,212.9626083,210.9484409,13792.58569,12153.41986,24247.08313,34126.70332,33355.15869,30905.23565,29761.50726,29979.81977,28760.93936,312.9166667,217.4444444,398.4166667,467.1111111,551.25,592.8611111,551,579.3333333,516.25,70.386937,73.87794514,50.8344445,41.10399119,44.47217192,48.39648652,48.31446446,48.48799212,47.81046602,184.4746601,234.1295173,171.1811135,139.6166408,142.1687168,148.9271577,152.8101279,153.3488379,159.7499454,7.485857714,7.566014571,7.508521231,7.341061676,7.583593314,7.686741032,7.607338595,7.689210538,7.760201095,1.296043374,1.676243891,1.301672548,1.088096895,1.066767186,1.106171782,1.149437818,1.14496026,1.17848291,164.1974487,144.6835698,155.43002,162.5081111,163.5056798,162.659135,160.8730122,161.1818267,160.6756389,3.725198413,2.588624339,2.553952991,2.224338624,2.702205882,3.120321637,2.978378378,3.114695341,2.884078212,0.885949207,-0.515987867,0.069331243,0.216500592,-0.309979854,-0.043453367,0.008623625,0.315330623,-0.146064324,2880.000741,71.81476457,-135.7943846,1392.685129,795.156505,666.6290193,547.3350416,177.5904947,-679.0881073,4219.250568,-158.3494256,-807.4386147,1241.45403,901.232695,607.9709339,186.2450696,-16.89761466,-55.56741406,6.040162286,0.063041143,2.297048327,0.785323429,-1.014167265,2.126289878,2.707990204,1.911444082,-3.024394204,18.93014522,-1.654220016,-3.825340077,1.381854194,1.257743908,2.01150013,-0.116167745,0.089849135,1.756781803,105.6319321,-10.64165107,-20.02411492,0.358320954,1.339721048,10.64998989,-1.041398684,1.700841159,11.68624195,116.3422619,0.983134921,36.08163265,29.72668651,-5.729024943,33.96988379,35.73430414,22.04471372,-56.90989938,0.010547014,-0.006142713,4.44E-04,0.001030955,-0.001519509,-2.29E-04,4.66E-05,0.001695326,-8.16E-04,34.2857231,0.854937673,-0.870476825,6.631833948,3.897826005,3.508573786,2.958567792,0.954787606,-3.793788309,50.22917343,-1.885112209,-5.175888556,5.911685858,4.417807328,3.199847021,1.006730106,-0.090847391,-0.310432481,0.071906694,7.50E-04,0.014724669,0.003739635,-0.004971408,0.011190999,0.014637785,0.010276581,-0.016896057,0.225358872,-0.019693095,-0.024521411,0.006580258,0.006165411,0.010586843,-6.28E-04,4.83E-04,0.009814423,1.257523002,-0.126686322,-0.128359711,0.00170629,0.00656726,0.056052578,-0.005629182,0.009144307,0.065286268,1.385026927,0.011703987,0.231292517,0.14155565,-0.028083456,0.178788862,0.193158401,0.118519966,-0.317932399,-0.582412471,0.04213809,0.097748535,-0.144070069,-0.021684045,0.004419657,0.16073989,-0.077368038,0.024935676,-0.025388901,0.19342844,0.113686563,0.102333376,0.086291538,0.027847965,-0.110652131,-0.037530226,-0.103045465,0.117694269,0.087953017,0.063704951,0.020042737,-0.001808658,-0.006180322,0.010436995,0.20477466,0.052006777,-0.069136931,0.155632233,0.203566373,0.1429155,-0.234971963,-0.08738549,-0.108810497,0.029199019,0.027358192,0.046977706,-0.002786372,0.002143514,0.043550198,-0.100742748,-0.10207345,0.001356866,0.005222378,0.0445738,-0.004476405,0.007271682,0.05191656,0.008450368,0.16699496,0.102204258,-0.020276469,0.129086921,0.139461838,0.085572319,-0.229549616,1.63717705,0.913462157,0.909039443,1.513116727,1.442697162,1.361678278,1.375174774,1.83476623,1.021427018,1.043583637,0.768440768,0.940807232,0.984529345,0.969643966,1.059512848,1.233006389,1.301631483,1.2008615,0.885501144,0.876826102,0.907425688,0.985453107,0.994726662,0.999364606,0.700035543,0.709451767,0.768239111,1.426514337,1.351027806,1.081147788,1.324428507,1.877694272,1.437742749,1.242439386,0.972729614,0.939136968,0.932952512,1.022495019,1.006428412,0.971194178,1.461315308,1.241211433,0.995186569,0.972534098,0.952618278,1.036017568,1.01890511,0.986968435,0.55039381,0.481134093,0.582289757,1.381993465,1.385730372,1.15393903,1.394169143,1.886656675,520.6407593,261.0703797,346.5080649,522.057426,14.50159517,261.0703797,1.5,0.062128571,0.001725794,-10.00277752,566.21183,15.72810639,22.82028576,520.7563524,261.1259729,346.583296,522.1688573,14.50469048,261.1259729,1.495593475,0.062109672,0.001725269,-10.00387281,566.3006931,15.73057481,22.82085071,623.180239,310.393136,413.4477799,621.1852666,17.25514629,310.393136,-2.393966868,0.049035433,0.001362095,-10.85476364,647.4089667,17.98358241,23.30272149,520.8776692,261.184319,346.6622529,522.2858064,14.50793907,261.184319,1.490968801,0.062089849,0.001724718,-10.00502194,566.3939646,15.73316568,22.82144359,731.7617879,362.6340112,484.6419773,726.3503166,20.17639768,362.6340112,-6.493765586,0.040205707,0.001116825,-11.5694868,736.7452171,20.46514492,23.76807167,532.7452201,266.8920126,354.389302,533.7263138,14.82573094,266.8920126,1.038805115,0.060212788,0.001672577,-10.1155339,575.5569835,15.98769399,22.87921766,508.347804,254.6058466,332.6558375,510.7109605,14.18641557,254.6058466,3.52,0.037278545,0.001035515,-11.8416144,692.4830254,19.23563959,23.54502141,0,11.89,15.99996003,-0.312780765,0.296123717,4.879670985,10.22917017,36,84,78,75,27,6,3,0,0,9,61.095936,3.918225082,3.534440736,3.5037252,3.477668092,3.40204676,3.33238927,3.226719485,3.130345623,1.964424871,1.89968874,1.89935393,1.893960301,1.695486643,1.69325332,1.68662449,1.414885456,3.878772321,3.509192294,3.505135133,3.499146767,3.309034323,3.251262033,3.219318826,3.128116804,1.982321488,1.844822929,1.843460195,1.835320794,1.653905844,1.64383008,1.624979531,1.431515764,3.943416367,3.65124029,3.643866462,3.630935705,3.492250351,3.443586579,3.391487571,3.285554909,1.904955815,1.656910592,1.655617424,1.651584623,1.425328621,1.410844913,1.397047127,1.221041757,3.871616314,3.525239176,3.523064471,3.519056819,3.291468363,3.255789329,3.236674363,3.12646394,1.994477895,1.813340149,1.81002701,1.797855293,1.643777424,1.621960205,1.58731164,1.445046672,3.944645398,3.702401867,3.699249921,3.690730361,3.513134498,3.485207933,3.455121139,3.320908296,1.899809697,1.602447008,1.600080857,1.594799787,1.384349365,1.354519579,1.332566993,1.204817259,5.015895853,4.988118562,4.971378828,3.815234275,3.542743806,3.541880614,3.538694998,3.367272736,1.79658454,1.782291185,1.782085228,1.764645006,1.509873404,1.508428807,1.503861255,1.151492475,0,0,3,3,3,6,15,0,0,0,0,0,0.068041382,0.11785113,0,0,0,0.024056261,0.036084392,1.145938975,0,0.365856775,0,0.352670901,0,0.058778483,0,2.926419177,4.295202685,6.135769053,0.735204936,0.923273882,1.06109426,26.43466436,17.54444252,13.50201932,10.3012485,7.544238251,5.673717276,4.052648505,2.921383281,0.734296232,0.487345625,0.321476651,0.210229561,0.13471854,0.085965413,0.056286785,0.037453632,22.90946261,14.20012449,9.410761231,6.138239767,3.868385806,2.418242996,1.409964587,0.77095906,0.636373961,0.394447903,0.224065744,0.125270199,0.069078318,0.036640045,0.019582841,0.009884091,47.29266192,83.29206118,79.50588235,80.64,52.04674491,642.0614156,0.56300788,0.991572157,0.946498599,0.96,0.619604106,7.643588281,8.0682,143.5665,349.9587752,471.8150777,699.9175504,19.44215418,349.9587752,0.068381574,0.001899488,-9.657546757,470.9540473,13.08205687,22.15713789,1090,0,0,6,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,21,0,0,3,0,0,0,0,0,0,0,0,3,0,18,0,0,3,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,54.39958841,3.090582392,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.860448274,0,8.269638627,0,0,1.860448274,0,0,0,0,0,0,0,0,6.455688565,0,16.55414063,0,0,4.379523355,0,0,0,-1.69372186,0.404780898,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,38.15660138,16.24298704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.383824626,-0.616108391,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.599163231,0,0.267029555,0,0,0.599163231,0,0,0,0,0,0,0,0,2.149110044,0,0.278668509,0,0,1.399478273,0,0,0,-0.616108391,0.052719418,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.55693582,5.383824626,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.86047478,1.512684578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.646198077,0,0.70363981,0,0,0.646198077,0,0,0,0,0,0,0,0,2.154896669,0,1.174924215,0,0,1.512684578,0,0,0,0,0.231082967,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.86047478,5.441019343,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,80.5,2.236111111,0.70363981,12.86047478,-0.127551485,-0.616108391,12.39720169,2.282775058,5.860474784,46.71055396,2.282775058,5.860474784,46.71055396,16.99998,0.47222,0,0.02778,0.52619,0.82778,0.43333,0.51111,0.82778,0.09286,0.01508,-0.07778,0,0.57047,0.14382,0,0.14706,0.17647,0,30.75,0.85417,20.25,0.5625,10.5,0.29167,-9.75,-0.27083,0,0,44.87553,1.24654,70.14675,25.27122,0.70198,12.68369,0.35232,17.54441,4.86072,0.13502,0.36959,0.01027,0.45559,0.01266,0.071428571,36.06,6,6,6,6,0,0,0.7,1.263809174,2.2997478,3.275481198,3.976706856,4.157780411,4.120804436,106.1599706,193.1788152,275.1404206,334.0433759,349.2535545,346.1475726,0.197707512,0.35976746,0.512409034,0.622107226,0.650433972,0.644649532,5.128508249,4.092569622,3.116836225,2.415610566,2.234537012,2.271512987,0.194676182,0.354251362,0.504552575,0.61256883,0.64046126,0.634765509,11.18095047,21.77896421,26.17436065,28.84652011,29.19226325,31.31067865,130.6901051,85.86044774,67.50113812,55.12799286,55.4852832,49.16665818,34.02777778,22.93650794,15.88837984,10,15,7,4.1,4.3212,0.150125209,6.644866865,1.736184373,0,0,22.84792057,0,6.631975708,0,0,0.50471726,2.17695998,0.50471726,0,0,0,0,0,0,0.003,1.142,1.126,1.798,0.8,16.621,42,49,56,66,72,78,76,79,78,668,3.761200116,4.085976313,4.502583597,4.915408444,5.384208324,5.637464594,5.912235311,5.775133674,5.864961966,5.817854931,7.712108358,3.344685629,0.476190476,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,24,0.666666667,27,0.75,2,11,21,0.909090909,4,2.888888889,1.6875,1.373333333,1.125,0.711836735,0.505208333,0.394557823,0.256875,0.210590756,0.111111111,0.068783069,0.036684783,0.029219858,0.02393617,0.015474712,0.01098279,0.008767952,0.005708333,0.005014066,0.335593143,298.0825332,400.3114098,596.1650664,16.56014073,298.0825332,0.078229292,0.002173036,-9.173200022,491.6530093,13.65702804,22.31198353,78.9,541.1021468,6.169925001,5.056245805,5.826000107,6.624065228,7.429520843,8.251924714,9.080573314,9.92068876,10.76546992,11.61797893,146.5724676,4.290459441,0,5.484796933,0,6.86171134,0,8.344980369,0,9.903137491,10.14655137,504.3450893,6.004108205,70.96418956,1.971227488,16.70735579,16.70735579,0,5058,46,9.549,156,1.247467902,2.153919661,2.897558994,3.685732375,4.928097191,5.866584824,6.895531848,7.850278092,8.710036469,9.564068507,102.7235074,118.1255666,134.1514104,191.0929735,252.6057381,305.9310323,353.0308241,395.936791,458.3396753,443.3063509,315.0407903,390.1624507,439.0853819,593.2105832,780.5676979,956.6298713,1108.686366,1310.17553,1531.982523,1570.559894,9.489343572,16.23391293,21.3576208,28.12740119,37.85424072,44.77342521,52.89922344,60.80596452,67.73483439,73.86363517,2.209867062,2.926601031,3.341048794,4.344710064,5.739822028,7.109782546,8.225831343,9.604903163,11.22659572,11.78368908,178.6487408,331.5685023,466.7293614,589.6352509,793.8580604,933.5801426,1102.100801,1252.6374,1364.407517,1514.488725,3.30943552,5.622830634,6.610292993,10.25877326,14.83528204,17.83212667,21.25473158,22.51669699,26.94738866,27.57788816,0.485096409,0.658876999,0.766038718,1.033873497,1.364987639,1.66190702,1.937090697,2.262618839,2.62990421,2.747986514,907.7359701,2513.553748,32.21284612,200.9355625,-556.3978435,-34.88370386,706.8004076,3069.951591,67.09654998,0.81876006,2.267176232,0.029055356,0.18123994,-0.501859953,-0.031464417,1006.381029,2786.705486,35.71346548,222.7715381,-616.8624499,-38.67456942,0.106185978,0.112597533,0.136915639,1.343586311,986.0745609,122.5969718,0.889419934,0.110580066,2840.04033,53.29202877,14.16146454,3305.654999,57.49482584,14.89655491,6371.153446,79.81950543,18.53841877,2.53808331,2.53808331,22744.51072,18597.61729,4630.940998,1.222979824,4.911423127,4.015947795,12.48599602,13.46779591,25.68655088,0.907257213,13.67201276,19.63923121,13.11672048,86.8401826,33.08453064,13.94823778,28.29616991,32.85019597,53.64915463,16.52020516,30.39972833,50.54864031,37.83284024,29.63940273,40.71440554,44.50414969,44.01050858,35.981371,37.66886854,50.1493998,44.24951794,46.61256147,29.59399157,32.90915998,22.30931052,38.36640648,13.25181495,28.97887437,21.43505478,17.05748232,1.197041721,20.09192968,2.122037385,21.11252272,4.170835703,12.72070074,10.70060823,11.23145595,16.99880537,3.743426377,13.92698298,6.290815794,6.147866131,10.10932103,15.13606693,19.5651955,11.03528829,12.92419927,7.061973612,15.09081131,10.99203802,10.06989814,7.242780229,3.331147032,7.843692436,6.260816133,4.709608713,8.021109748,3.818846196,3.149439452,3.721647869,19.24869572,3.131129805,25.51605191,4.258946686,10.54753057,11.51384063,10.46780114,19.16554279,4.939288031,13.18968503,12.62244934,9.258421184,11.29883319,16.16500138,20.25042686,14.42347132,13.46825667,10.1561269,19.2465388,14.96320668,14.94814741,8.301830676,7.185379565,7.703350833,10.50066346,3.735955579,8.924874765,5.849792265,5.23967902,12.92061754,20.09090107,14.28768368,81.93935457,31.53099335,15.87690332,30.18832007,34.14330445,54.05230878,17.47625995,31.07536658,49.22538236,37.1607453,30.05628012,41.41976567,46.1432371,43.22955815,37.04793728,36.82798564,49.6461043,43.04449137,45.45558457,30.28358314,30.99964817,23.21474027,37.02664856,14.24137449,29.80307706,20.73803067,16.10900157,5.462215945,18.92830773,3.888099039,30.95764119,6.078127555,9.901720704,12.44946305,11.29398003,21.73931898,5.746531253,14.15959671,17.37134566,12.13312629,12.64048112,17.78010082,21.64374494,17.44070037,14.79691424,12.75766798,22.59581519,18.22339152,18.72561672,9.727027506,10.33976549,8.216275417,13.79127839,3.698178812,10.15453342,7.47440603,6.893124426,16.51097689,19.92573887,17.47979849,116.0830669,47.69999236,16.04104994,35.2280291,42.96079168,68.86993745,21.72354882,37.77261524,65.06408537,49.91502892,37.71608815,51.51084764,54.76605944,56.23479457,45.67005482,50.11826346,62.44134376,56.25918275,58.97007372,38.98446003,43.36495275,29.46949952,49.67267252,18.17430445,38.08688513,28.33262094,21.3365394,8.511710648,19.3693604,15.70972414,55.94833671,23.03958126,25.69194884,35.55784271,42.58323377,43.71213226,17.90094209,33.76435212,41.25085779,33.23938462,28.9052719,43.24765099,46.35021304,39.81687223,37.85546926,29.00896197,45.69992718,31.44069612,38.63143618,28.48625151,20.13372379,31.77694802,25.62334758,17.70027848,28.45349888,17.40423752,11.3230728,48.40471901,11.13615439,0.726641791,0.803164339,0.184778721,0.473352995,0.357782051,0.398194957,60.26751519,582.3073111,1034.265579,0.704746509,1.229330003,36.46928647,8.910508286,0.480142337,0.795231934,0.19429831,0.270235381,0.235867636,0.171077946,45.85993709,346.74864,548.6355728,0.692847901,0.677180962,42.72605867,10.02117072,0.509996215,0.802258439,0.188165467,0.369632466,0.293471341,0.195813619,53.25722561,455.0660155,726.685836,0.703387658,0.858917426,47.14877369,10.92142411,0.733149076,0.801804254,0.185727934,0.44928544,0.344845992,0.404975647,58.80334687,557.5058655,993.8309515,0.702706381,1.199107079,45.45524743,10.5166747,0.543827107,0.804293459,0.186083965,0.41789585,0.321293023,0.223047517,56.51574924,508.4770992,824.9628985,0.706440188,0.96223639,48.88772411,11.2408514,0.762361039,0.802873578,0.184606315,0.482763714,0.364139703,0.438277902,60.89093655,595.3793255,1075.217875,0.704310367,1.285181319,47.34247327,10.98403864,0.744569449,0.80144924,0.185946124,0.453013126,0.34892051,0.417574861,59.07108136,563.4396947,1009.695494,0.70217386,1.219508496 +UMLPP0025,L,9 (Trimellitic anhydride),CCCCCCCCCOC(=O)C1=CC=C(C=C1C(=O)OCCCCCCCCC)C(=O)OCCCCCCCCC,UML,,-45,0,-5.316,28.259856,139.1469,108.17958,6,6,102,42,60,0,36,0,6,0,0,0,0,0,0,0,6790.280202,7216.617174,9092.424564,9812.378524,10252.86344,10375.87281,10118.7163,10199.30691,9870.253683,18409.97779,23584.82026,32185.53638,35360.28464,35043.20829,34336.95003,34310.66373,34563.67392,34371.83706,754.676712,766.199904,1427.70636,1918.932352,1924.362436,1837.790196,1784.66704,1807.50256,1766.804892,130.9363983,170.9004186,249.1870583,282.629521,271.7496792,264.3018117,266.7751695,267.0917814,262.465263,16772.36366,14751.65657,29792.29632,43000.43425,42228.88962,39778.96658,38635.2382,38853.5507,37618.13202,338.4166667,248.9444444,453.9166667,540.6111111,624.75,666.3611111,624.5,649.8333333,595.5,66.57137453,70.75114876,47.35637794,37.16810047,39.73978079,42.52406891,42.3377251,42.49711212,42.36160379,180.4899783,231.223728,167.633002,133.9404721,135.8263887,140.725205,143.5592625,144.015308,147.518614,7.398791294,7.511763765,7.435970625,7.268683152,7.458769132,7.531927033,7.467226109,7.531260667,7.582853614,1.283690179,1.6754943,1.297849262,1.070566368,1.05329333,1.083204146,1.116214098,1.112882423,1.126460356,164.4349378,144.624084,155.16821,162.8804328,163.6778667,163.0285516,161.6537163,161.8897946,161.4512104,3.317810458,2.440631808,2.364149306,2.04776936,2.421511628,2.73098816,2.612970711,2.707638889,2.555793991,0.911406237,-0.515987726,0.056605831,0.216543702,-0.309623032,-0.042165511,0.006087383,0.285074914,-0.093506041,3390.595134,74.62861694,-375.5648348,1455.961736,907.2119585,807.5401699,689.6388466,336.1643442,-363.8691699,5134.873925,-161.4869671,-1276.536875,1283.715868,956.0474566,684.8937698,279.4135723,81.25329913,-205.6724514,6.228770824,0.101268706,2.377913979,0.97534681,-0.558795142,2.651486657,3.146464913,2.433703945,-2.00301492,22.97252132,-1.669634252,-5.90977856,1.443432588,1.294332076,2.086429716,0.015533196,0.216092719,-0.70775388,127.543241,-10.70939147,-31.26175016,0.553746668,1.380706856,10.82329467,-0.630465221,2.072379615,-4.414893416,119.2965686,1.97630719,37.53243945,33.15316225,3.270280661,44.36409073,44.77078527,29.7474529,-43.53203095,0.008935355,-0.005058703,2.95E-04,8.20E-04,-0.001200089,-1.73E-04,2.55E-05,0.001187812,-4.01E-04,33.24112877,0.731653107,-1.956066848,5.515006575,3.51632542,3.30959086,2.885518187,1.400684768,-1.561670257,50.34190123,-1.58320556,-6.648629557,4.862560104,3.705610297,2.806941679,1.169094445,0.338555413,-0.882714384,0.061066381,9.93E-04,0.012384969,0.003694495,-0.002165873,0.010866749,0.013165125,0.010140433,-0.008596631,0.225220797,-0.016368963,-0.030780097,0.005467548,0.005016791,0.008550941,6.50E-05,9.00E-04,-0.00303757,1.250423931,-0.104994034,-0.162821615,0.002097525,0.005351577,0.044357765,-0.00263793,0.008634915,-0.01894804,1.169574202,0.019375561,0.195481455,0.12558016,0.012675506,0.181820044,0.187325461,0.12394772,-0.186832751,-0.566144608,0.032994999,0.091797279,-0.134307953,-0.019339966,0.002850499,0.132933958,-0.044912986,0.022010477,-0.058844778,0.165909125,0.105782371,0.099563131,0.086805662,0.0421371,-0.046980061,-0.031449062,-0.132069497,0.096590712,0.073608867,0.055757562,0.023223089,0.006725122,-0.017534387,0.016258217,0.202811572,0.060499664,-0.035467513,0.177949773,0.215587121,0.166055905,-0.140775177,-0.072679626,-0.136666316,0.024276389,0.02227499,0.037966927,2.89E-04,0.003997794,-0.013487077,-0.08396675,-0.130213131,0.001677451,0.00427981,0.035474181,-0.002109628,0.00690559,-0.015153293,0.016566337,0.167138994,0.107372546,0.01083771,0.155458323,0.160165521,0.105976791,-0.159744248,1.636318229,0.921995932,0.887378617,1.447866783,1.362944296,1.282916122,1.305758023,1.678058925,1.081591718,1.101813331,0.795733782,0.936639243,0.96977584,0.956865266,1.029044137,1.147994427,1.332283479,1.252342854,0.905571351,0.899182,0.924295384,0.985041218,0.992228609,1.018022414,0.702902614,0.704233472,0.738589521,1.348880488,1.260329372,1.006834039,1.230438707,1.69281537,1.447550734,1.288798614,0.977010054,0.950413185,0.946083546,1.015805859,1.003359662,1.025335413,1.467499549,1.286940164,0.994593772,0.976347862,0.960501142,1.025570773,1.012282233,1.043325217,0.550355319,0.477147773,0.559297519,1.306633426,1.290955848,1.070636076,1.303407747,1.729140928,740.2199695,370.8599847,491.5928681,741.6485409,17.65829859,370.8599847,1.5,0.059381172,0.001413837,-11.85986791,768.6863517,18.30205599,27.90766869,740.358985,370.9272893,491.6853245,741.7833598,17.66150857,370.9272893,1.495593475,0.059364976,0.001413452,-11.86101358,768.7834015,18.3043667,27.90819892,863.5347751,430.5704041,573.8246191,861.4828035,20.51149532,430.5704041,-2.393966868,0.048000407,0.001142867,-12.7534923,858.2039272,20.43342684,28.37033534,740.5048841,370.9979265,491.7823597,741.9248544,17.66487749,370.9979265,1.490968801,0.059347989,0.001413047,-11.86221557,768.8852686,18.30679211,27.9087554,994.1476191,493.8269268,661.2574879,988.5815343,23.53765558,493.8269268,-6.493765586,0.040098743,9.55E-04,-13.50892318,957.846258,22.80586329,28.83168659,754.7769444,377.9078748,501.2779336,755.7662826,17.9944353,377.9078748,1.038805115,0.057736439,0.001374677,-11.97784047,778.906729,18.54539831,27.96314349,728.5643286,364.600039,476.4860755,730.9313581,17.40312757,364.600039,3.517460317,0.0358008,8.52E-04,-13.98509716,968.0070065,23.04778587,28.87600517,0,11.89,15.99996918,-0.312780766,0.296187383,4.883698463,10.23561965,42,102,96,93,33,6,3,0,0,9,74.21442,3.918226513,3.543158472,3.522821724,3.507690131,3.446373121,3.39027634,3.326543062,3.255611917,1.964980447,1.922586135,1.922406972,1.917915777,1.779520585,1.778522337,1.773614819,1.566150679,3.878773957,3.537511033,3.535535209,3.53218847,3.373440854,3.352405623,3.337784821,3.221794792,1.982389416,1.866175676,1.865438365,1.860159751,1.7282374,1.723791752,1.711644652,1.535416419,3.943421247,3.670761711,3.666739707,3.659176681,3.544102845,3.518010028,3.489290605,3.385991525,1.904962401,1.684530641,1.683874836,1.681479433,1.517294468,1.512233871,1.504689654,1.303882716,3.871618142,3.555696968,3.554640762,3.552378299,3.377066528,3.366390219,3.357392249,3.200561462,1.994506288,1.832227838,1.830382038,1.822834055,1.705064841,1.694358865,1.672917852,1.536530584,3.944654789,3.725173565,3.72350872,3.718430766,3.581246037,3.56929715,3.552467225,3.408678849,1.899813423,1.629882392,1.628695358,1.625643275,1.46470998,1.454338002,1.44317351,1.283995156,5.064247284,5.03800177,5.021938606,3.834186469,3.568478907,3.567806367,3.565288407,3.447882941,1.807681981,1.804742402,1.804641704,1.762576799,1.617333757,1.616758104,1.612802046,1.345788183,0,0,3,3,3,6,21,0,0,0,0,0,0.068041382,0.11785113,0,0,0,0.024056261,0.036084392,1.145938975,0,0.365856775,0,0.352670901,0,0.058778483,0,2.926419177,4.295202685,6.135769053,0.735204936,0.923273882,1.06109426,30.67730505,20.54444252,15.62333966,11.8012485,8.604898423,6.423717276,4.58297859,3.296383281,0.730412025,0.489153393,0.325486243,0.214568155,0.138788684,0.089218296,0.058756136,0.039242658,27.1521033,17.20012449,11.53208158,7.638239767,4.929045978,3.168242996,1.940294672,1.17878417,0.64647865,0.409526774,0.240251699,0.138877087,0.079500742,0.044003375,0.024875573,0.014033145,56.54362874,100.6190823,95.85882353,97.2,62.83807186,780.2309461,0.554349301,0.986461591,0.939792388,0.952941176,0.616059528,7.649323001,10.4088,171.2685,473.6672012,637.481014,947.3344025,22.55558101,473.6672012,0.067068703,0.001596874,-11.34855859,618.3801798,14.72333761,26.99383447,1518,0,0,6,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,27,0,0,3,0,0,0,0,0,0,0,0,3,0,24,0,0,3,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,55.18389034,3.210629414,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.834180848,0,9.789939723,0,0,1.834180848,0,0,0,0,0,0,0,0,6.601070239,0,24.50441001,0,0,4.441173978,0,0,0,-1.664318101,0.433773537,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,38.69368443,16.4902059,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.463852802,-0.605938532,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.590806409,0,0.247765697,0,0,0.590806409,0,0,0,0,0,0,0,0,2.198668933,0,0.283789765,0,0,1.421117982,0,0,0,-0.605938532,0.062857001,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.72964694,5.463852802,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.04542029,1.532229434,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.637012474,0,0.70363981,0,0,0.637012474,0,0,0,0,0,0,0,0,2.202161798,0,1.265341471,0,0,1.532229434,0,0,0,0,0.240230736,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.04542029,5.525651814,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,89.5,2.130952381,0.70363981,13.04542029,-0.167794344,-0.605938532,16.31212255,2.272605199,6.045420293,48.56992115,2.272605199,6.045420293,48.56992115,19.99998,0.47619,0,0.02381,0.5098,0.80952,0.43333,0.49815,0.80952,0.07647,0.01166,-0.06481,0,0.58823,0.12606,0,0.125,0.15,0,33.75,0.80357,23.25,0.55357,10.5,0.25,-12.75,-0.30357,0,0,57.60081,1.37145,84.50315,26.90234,0.64053,15.68369,0.37342,20.54441,4.86072,0.11573,0.36959,0.0088,0.45559,0.01085,0.058823529,42.06,6,6,6,6,0,0,0.75,1.221047785,2.135636159,3.033612688,3.742682274,4.155172803,4.227950676,124.5468741,217.8348882,309.4284942,381.753592,423.8276259,431.250969,0.182999093,0.320068948,0.454649177,0.56091782,0.622737999,0.633645258,5.451377557,4.536789183,3.638812654,2.929743068,2.517252539,2.444474666,0.180765081,0.316161617,0.449098921,0.55407026,0.615135752,0.625909858,10.66317026,20.02138721,24.12008141,27.1321876,29.2196009,29.12841915,153.1035003,106.988359,87.5174095,70.35750733,61.00319093,64.03585153,40.02380952,28.47222222,20.62809917,12,15,9,4.76,5.1666,0.125072422,7.128980235,1.452835592,0,0,25.26817866,0,6.631975708,0,0,0.50471726,2.17695998,0.50471726,0,0,0,0,0,0,0.003,1.142,1.126,1.798,0.8,19.615,48,55,62,72,78,84,82,85,87,737,3.891820298,4.182050143,4.566948973,4.958464422,5.411366995,5.658610756,5.92834169,5.793585091,5.881841487,5.852920613,7.743811618,3.129240163,0.48,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,30,0.714285714,33,0.785714286,2,13,25,0.923076923,4,2.888888889,1.6875,1.373333333,1.125,0.711836735,0.505208333,0.394557823,0.316875,0.260177533,0.095238095,0.060185185,0.032451923,0.02591195,0.021226415,0.013689168,0.009715545,0.007736428,0.006213235,0.00510152,0.298551315,414.3151571,555.3186722,828.6303142,19.72929319,414.3151571,0.07612933,0.001812603,-10.81635105,657.7858291,15.66156736,27.25329344,78.9,644.8780545,6.392317423,5.198497031,5.958424693,6.744059186,7.537430037,8.347353412,9.16440114,9.993465359,10.82832169,11.67186751,159.44382,4.442651256,0,5.624017506,0,6.980075941,0,8.440096141,0,9.976040745,10.22589709,588.4389896,5.769009702,82.96428563,1.975340134,16.72028872,16.72028872,0,8193,52,12.963,180,1.247855919,2.155235321,2.893510107,3.673134698,4.935510446,5.893262041,6.987794588,7.981854069,8.938050741,9.789982831,99.10551402,110.5237793,122.5348296,172.6994099,225.4966786,272.2146034,314.9673207,358.3669149,410.7361088,455.0089325,312.4112361,382.7424964,422.4746236,570.1729336,744.4868708,910.3346788,1059.264862,1232.545023,1395.003098,1568.838541,9.422286159,16.0841397,21.11421272,27.58693001,37.18098228,44.15496927,52.52134279,60.42587117,68.61766605,75.52391079,2.215551953,2.92125877,3.289269329,4.30092719,5.655100608,6.977983333,8.123221985,9.344020727,10.43812162,11.69283375,178.5318216,331.2005929,467.1720087,587.6056968,796.3029614,941.158505,1121.389893,1278.575389,1434.937418,1569.105896,3.123402782,5.206204276,6.079557699,9.20712254,13.09381251,15.71404523,18.65965502,20.26890309,24.42298156,27.03202582,0.481310425,0.649828961,0.743787437,1.001275759,1.315372361,1.600392011,1.874000926,2.175266309,2.463766538,2.744364747,1070.399391,3305.544588,36.60052232,202.4136492,-625.0819535,-34.81018628,867.9857419,3930.626541,71.4107086,0.840971421,2.597038593,0.028755615,0.159028579,-0.491102726,-0.027349018,1362.418303,4207.340256,46.58562209,257.6347322,-795.6124617,-44.30685903,0.095213524,0.100962557,0.122767814,1.204750278,1150.216068,122.5969718,0.903680299,0.096319701,3212.529745,56.67918264,14.75533427,3794.388847,61.59861075,15.59722289,7163.385616,84.63678642,19.27699983,2.678983669,2.625691168,37872.87,30953.33569,7478.515745,1.22354729,5.064222807,4.138967776,14.83921837,15.92040409,30.61862329,0.923231541,17.0188194,25.33033505,14.89471552,116.6774492,44.93362853,13.94833162,33.06204836,33.67836081,79.83554586,16.70507567,30.4021648,77.84399748,38.56391752,66.0137146,42.22515904,42.33116661,56.5797646,43.07128113,48.98271015,52.50552194,63.99284449,46.38852487,46.51202243,50.41822004,54.31619256,47.48740758,51.78763783,42.87069045,31.45284228,20.314378,1.47791601,25.78278089,2.254738978,27.19287832,4.255233768,12.72079381,11.43596263,11.23729092,23.4725183,3.744728599,13.92941943,8.164995114,6.153015171,17.01125062,15.14670729,19.3460658,11.6359073,13.27758392,10.19967923,15.05423765,18.78865342,11.20592226,13.4353339,5.53748268,14.87597089,8.936493982,13.45020377,8.708985346,5.930356379,7.430430627,4.628344315,24.93956429,3.570387746,33.20328163,5.131028492,10.5476237,13.07181996,10.52858923,28.13318786,4.952856902,13.19212149,18.87178339,9.312078124,22.66517192,16.27588214,19.96322899,16.66434803,14.28500533,14.55393961,19.29542599,23.74617852,14.96708649,14.65172287,10.83871596,18.27804197,13.70355861,16.63940233,11.31298455,8.994183149,8.615684943,16.07973,25.78197734,15.95459564,109.17518,42.08897618,15.87699708,34.70742055,34.88118588,78.49069522,17.64097636,31.07780304,74.6765602,37.81212199,64.07743309,42.76581984,43.24146897,54.73448114,44.52421591,48.09383018,51.68402985,63.80143063,45.20264359,47.11174336,47.53902405,53.52136427,46.25853077,50.91137265,42.64643788,29.82360698,20.75838277,6.798519682,24.61919836,4.546493067,40.71068062,7.970083052,9.901813897,14.5721756,11.42601465,32.87321316,5.776004251,14.16203316,26.86573508,12.24967633,27.53217886,18.02094865,21.45638299,21.05800275,15.91817075,18.00914946,22.83040564,27.9061427,18.33373039,16.8419833,15.34241788,21.69453138,17.39545507,19.86756194,13.97692122,11.73673338,9.606953638,20.55273061,25.61695854,19.68084651,156.8546996,64.9777093,16.04114414,40.90765185,44.16858531,102.1429055,21.99316455,37.7750517,99.51451216,50.98123642,83.42630114,53.71413964,51.33553415,72.87868808,56.13594786,64.04357872,66.02193796,79.91920558,59.13818147,60.20489476,67.35529732,69.35589641,61.78483818,66.91210146,56.70303136,40.18197829,25.18253442,10.68220005,24.84044294,17.13218362,71.86827502,28.24683608,26.40566111,39.40530882,44.08510564,59.51825352,18.46938965,34.70431816,57.03366285,34.4443086,50.46919097,45.03094376,43.82066839,46.64466563,46.72993864,39.31864993,45.87295389,56.02291888,39.8153807,48.46400373,32.42536845,53.91868322,34.5985377,45.90990667,36.08050152,19.71626905,25.49547713,66.80384975,14.9926517,0.752482025,0.809263142,0.181621276,0.465825189,0.344449374,0.407439957,82.54898347,1063.117248,1899.327285,0.713894713,1.21771452,52.21610055,12.48065855,0.474968889,0.801207857,0.191504183,0.28609306,0.245815779,0.160927741,65.17172799,682.4202696,1057.125101,0.701811786,0.692836581,60.0924381,13.76948017,0.523184488,0.807855819,0.185110723,0.377689684,0.294118933,0.196771579,74.38510276,866.0850448,1373.374776,0.711783728,0.868580195,65.30187282,14.75729377,0.756486191,0.808034961,0.1826044,0.445284231,0.334476804,0.411569923,80.81565278,1024.242575,1834.068024,0.712052441,1.191330958,63.39434653,14.32260573,0.564491516,0.809825975,0.182962974,0.419900936,0.316316567,0.229292096,78.28144378,951.8427911,1542.666856,0.714738962,0.965509599,67.35509487,15.10494791,0.788789897,0.809081554,0.18144336,0.473474368,0.349286982,0.447692131,83.24883267,1082.438848,1968.198734,0.71362233,1.270453482,65.52912825,14.82617902,0.76710707,0.807780794,0.18276304,0.448406843,0.33767923,0.423146322,81.12241434,1033.187711,1859.59038,0.711671191,1.209232394 +UMLPP0026,L,8 (Trimellitic anhydride),CCCCCCCCOC(=O)C1=CC(=CC=C1C(=O)OCCCCCCCC)C(=O)OCCCCCCCC,UML,,-45,0,-4.452,19.820304,130.4121,98.898822,0,0,93,39,54,0,33,0,6,0,0,0,0,0,0,0,6351.391455,6711.182283,8511.298953,9222.108337,9662.593258,9785.602626,9528.446113,9609.036721,9279.983496,16952.92462,21625.84986,29444.89505,32339.88961,32022.81326,31316.55499,31290.2687,31543.27889,31351.44202,691.74438,700.872564,1299.517836,1730.277652,1735.707736,1649.135496,1596.01234,1618.84786,1578.150192,119.9020209,155.8524527,226.1239879,255.5649345,244.6850926,237.2372251,239.7105829,240.0271949,235.4006765,15282.47468,13452.53821,27019.68972,38563.56879,37792.02415,35342.10112,34198.37273,34416.68523,33181.26655,325.6666667,233.1944444,426.1666667,503.8611111,588,629.6111111,587.75,613.0833333,561.75,68.29453177,72.16325035,48.91551122,38.91184952,41.82940804,45.09494298,44.94550053,45.11284846,45.04846357,182.289512,232.5360199,169.2235347,136.4552304,138.6268972,144.3159216,147.5956071,148.0905112,152.1914661,7.438111613,7.536264129,7.46849331,7.300749586,7.513886303,7.599702747,7.528360094,7.600224695,7.660923262,1.289269042,1.675832825,1.299563149,1.078333057,1.059242825,1.093259102,1.130710297,1.126888239,1.14272173,164.3276847,144.6509485,155.2855731,162.7154801,163.6018362,162.8668254,161.3130789,161.5806819,161.0741095,3.501792115,2.507467145,2.449233716,2.125996249,2.545454545,2.901433692,2.77240566,2.878325509,2.726941748,0.898677726,-0.51598773,0.062969949,0.216540741,-0.30966318,-0.042482184,0.0051162,0.288582338,-0.066757757,3136.571987,73.3578449,-255.4009468,1427.960581,857.2638438,744.7522425,626.2904758,265.4545119,-445.7757751,4677.793555,-160.0700129,-1042.805161,1264.960145,931.6698524,650.6419634,237.8643308,37.44607295,-256.622119,6.139002581,0.084004645,2.344274398,0.891578327,-0.762105894,2.417325032,2.951711967,2.201063767,-2.271272641,20.95214032,-1.662672984,-4.870919211,1.415987463,1.278224927,2.053128579,-0.043363227,0.159652231,-0.773875709,116.589699,-10.67879903,-25.65736043,0.46644392,1.363287452,10.74643632,-0.814526176,1.906087238,-4.610650859,117.9139785,1.527777778,36.91363163,31.64842756,-0.745115042,39.73297491,40.75791999,24.98106718,-45.97522835,0.009663201,-0.005548255,3.62E-04,9.14E-04,-0.001340533,-1.96E-04,2.41E-05,0.001354847,-3.24E-04,33.72658051,0.788794031,-1.467821534,6.025150131,3.711098891,3.432037984,2.954200357,1.246265314,-2.163960074,50.29885543,-1.721182934,-5.993133112,5.337384577,4.033202824,2.998350062,1.12200156,0.175803159,-1.245738442,0.06601078,9.03E-04,0.013472841,0.003761934,-0.00329916,0.011139747,0.01392317,0.010333633,-0.011025595,0.225291831,-0.017878204,-0.027993789,0.005974631,0.005533441,0.009461422,-2.05E-04,7.50E-04,-0.003756678,1.253652678,-0.114825796,-0.147456094,0.001968118,0.005901677,0.049522748,-0.003842105,0.008948766,-0.0223818,1.267892242,0.016427718,0.212147308,0.133537669,-0.003225606,0.183101267,0.19225434,0.117282006,-0.22318072,-0.574163257,0.03745097,0.094551896,-0.138725584,-0.020259376,0.002497414,0.140206812,-0.033536172,0.023387904,-0.043521208,0.178646932,0.11003484,0.101760627,0.087592644,0.036952021,-0.064161858,-0.034219127,-0.119150487,0.10611344,0.080184783,0.059610702,0.022306702,0.003495172,-0.024766735,0.013683761,0.204100622,0.056989689,-0.049979105,0.168756476,0.210922664,0.156544623,-0.167027193,-0.079355758,-0.124255675,0.026519517,0.024561216,0.041996294,-9.08E-04,0.003326978,-0.01667472,-0.091592989,-0.11762117,0.001569907,0.004707586,0.039502766,-0.003064728,0.007138154,-0.01785327,0.012956715,0.167322822,0.10532257,-0.00254407,0.144413903,0.151633028,0.092501556,-0.176024991,1.636887374,0.917376999,0.89665042,1.476958162,1.397872398,1.318133256,1.339562802,1.725082587,1.053517392,1.074696598,0.782891907,0.937836462,0.975528652,0.961683544,1.041672901,1.175115629,1.318235335,1.229074735,0.896540738,0.889173182,0.916768613,0.98506861,0.993165638,1.022372494,0.701032657,0.705934894,0.751380537,1.383130617,1.299913101,1.038978458,1.271323183,1.759224472,1.443061164,1.267926911,0.975051724,0.945365392,0.940255642,1.018648569,1.004623122,1.029533885,1.464674199,1.266302325,0.994777154,0.974566551,0.956918544,1.030011808,1.015053825,1.05025721,0.549982775,0.47848863,0.569214768,1.339835459,1.33234326,1.106807907,1.347951786,1.785343799,640.8365337,321.0147646,427.7708014,642.1826876,16.46622276,321.0147646,1.5,0.047266327,0.001211957,-11.90263284,749.175637,19.20963172,25.81399646,640.9640281,321.0763084,427.8547203,642.3062274,16.46939044,321.0763084,1.495593475,0.04725342,0.001211626,-11.90369796,749.2693644,19.21203498,25.81448435,753.9101234,375.6044025,502.4041208,751.7616916,19.27594081,375.6044025,-2.393966868,0.038138749,9.78E-04,-12.73944545,835.0627776,21.41186609,26.23727693,641.0978354,321.1408996,427.9427952,642.4358843,16.47271498,321.1408996,1.490968801,0.047239882,0.001211279,-11.90481547,749.3677421,19.21455749,25.81499638,873.6289479,433.4137407,581.7448496,867.8012096,22.25131307,433.4137407,-6.493765586,0.031760556,8.14E-04,-13.45316748,929.9846969,23.84576146,26.65715571,654.1867901,327.459279,436.5614861,655.1190511,16.79792439,327.459279,1.038805115,0.045954146,0.001178311,-12.01243367,759.035951,19.46246028,25.86499166,629.9083924,315.1464856,414.9135979,632.2376572,16.21122198,315.1464856,3.518614719,0.018171106,4.66E-04,-15.63089781,1138.415896,29.19015118,27.44583274,0,11.89,15.99996461,-0.312780765,0.296155245,4.882356307,10.23346943,39,93,87,87,33,6,6,0,0,6,67.655178,3.892608592,3.538723185,3.517010587,3.494072388,3.426432705,3.375437514,3.279647504,3.201249282,1.942128045,1.912740837,1.912542606,1.904065835,1.743021005,1.741825054,1.735243463,1.497491524,3.850853251,3.525197235,3.522830064,3.51778412,3.341491668,3.311153296,3.285571165,3.183858648,1.958956423,1.856917622,1.856097606,1.848174941,1.695240673,1.689800969,1.672771978,1.484867231,3.9184484,3.662055723,3.657476692,3.646389111,3.519666381,3.48943067,3.444926152,3.342274562,1.877660085,1.67264805,1.671892053,1.668342259,1.476110864,1.469146635,1.457530116,1.261962485,3.843225898,3.542584363,3.541328271,3.53793423,3.336338352,3.319981878,3.304657031,3.169968351,1.971821758,1.823935804,1.821890857,1.81095069,1.677162691,1.664522145,1.633927044,1.494216208,3.919432754,3.715237561,3.713340381,3.705909027,3.549723366,3.534490672,3.508931277,3.36876351,1.872534096,1.618020938,1.616634296,1.612106788,1.42718435,1.412519644,1.394492363,1.248879282,5.039069718,5.014933472,5.001559874,3.794289456,3.557049423,3.556438245,3.553023237,3.412985512,1.798552815,1.795614112,1.795497196,1.739826258,1.571219182,1.570487263,1.565612318,1.257958889,0,0,3,3,3,6,18,0,0,0,0,0,0.068041382,0.11785113,0,0,0,0.024056261,0.036084392,1.145938975,0,0.365856775,0,0.352670901,0,0.058778483,0,2.926419177,4.295202685,6.135769053,0.735204936,0.923273882,1.06109426,28.55598471,19.04444252,14.56267949,11.0512485,8.074568337,6.048717276,4.317813548,3.108883281,0.732204736,0.488319039,0.3236151,0.21252401,0.13685709,0.087662569,0.057570847,0.038381275,25.03078296,15.70012449,10.4714214,6.888239767,4.398715892,2.793242996,1.675129629,0.99128417,0.641814948,0.402567295,0.232698253,0.132466149,0.074554507,0.040481783,0.022335062,0.012238076,51.91814533,91.95557174,87.68235294,88.92,57.44240838,711.1461808,0.558259627,0.988769589,0.942820999,0.956129032,0.617660305,7.646733127,9.2385,157.4175,409.3350737,551.3453245,818.6701475,20.99154224,409.3350737,0.06776857,0.001737656,-10.49746135,542.437199,13.90864613,24.55468203,1295,0,0,6,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,24,0,0,3,0,0,0,0,0,0,0,0,3,0,21,0,3,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,54.82336126,3.156017695,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.846311159,0,0,9.042753815,0,0,1.846311159,0,0,0,0,0,0,0,0,6.537806732,0,20.48281431,0,4.412899749,0,0,0,0,-1.256882055,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,38.44555932,16.37780194,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.427454929,-0.61051115,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.59467232,0,0,0.256124369,0,0,0.59467232,0,0,0,0,0,0,0,0,2.177112276,0,0.281657986,0,1.411214958,0,0,0,0,-0.61051115,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.64978485,5.427454929,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.96003912,1.523247612,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.641246565,0,0,0.70363981,0,0,0.641246565,0,0,0,0,0,0,0,0,2.181582767,0,1.227443604,0,1.523247612,0,0,0,0,0.236085881,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.96003912,5.48717969,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,85,2.179487179,0.70363981,12.96003912,-0.14944365,-0.61051115,14.10988131,2.277177817,5.960039125,47.72233598,2.277177817,5.960039125,47.72233598,18.49998,0.47436,0,0.02564,0.5172,0.81795,0.43333,0.50404,0.81795,0.08387,0.01316,-0.07071,0,0.57994,0.13435,0,0.13513,0.16216,0,30.75,0.78846,21.75,0.55769,9,0.23077,-12.75,-0.32692,0,0,52.21913,1.33895,77.28139,25.06226,0.64262,14.38825,0.36893,19.04441,4.65616,0.11939,0.36959,0.00948,0.45559,0.01168,0.064516129,39.06,6,6,6,6,0,0,0.727272727,1.240893155,2.212369107,3.14974967,3.865539187,4.173935462,4.180702726,115.4030634,205.7503269,292.9267193,359.4951444,388.1759979,388.8053535,0.189763422,0.338326254,0.481675054,0.591137071,0.638298531,0.639333414,5.298265657,4.326789704,3.389409141,2.673619624,2.365223349,2.358456085,0.187181536,0.333723049,0.475121471,0.583094169,0.629613958,0.630634761,10.90420493,20.84397538,25.10278445,28.04091703,29.20835313,30.18539446,141.8552276,96.29880988,77.22780864,61.86647278,58.00015353,56.18121357,37.02564103,25.68987654,18.21301775,11,15,8,4.43,4.7439,0.13645768,6.908651236,1.581781677,0,0,24.13067817,0,6.631975708,0,0,0.50471726,2.17695998,0.50471726,0,0,0,0,0,0,0.003,1.142,1.126,1.798,0.8,18.118,45,52,59,69,75,81,79,82,84,704,3.828641396,4.110873864,4.48863637,4.812184355,5.241747015,5.476463552,5.746203191,5.645446898,5.758901774,5.713732806,7.59739632,2.829545455,0.47826087,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,27,0.692307692,30,0.769230769,2,12,23,0.916666667,4,2.888888889,1.6875,1.373333333,1.125,0.711836735,0.505208333,0.394557823,0.316875,0.210590756,0.102564103,0.064197531,0.034438776,0.027466667,0.0225,0.01452728,0.010310374,0.008219955,0.006601563,0.004387307,0.316023396,353.7251337,474.5152816,707.4502674,18.13975045,353.7251337,0.077247395,0.001980702,-9.986894118,572.1530189,14.67059023,24.76268524,78.9,592.9901007,6.285402219,5.129898715,5.894402834,6.685860947,7.484930283,8.300776961,9.123365358,9.957738967,10.79738952,11.64531245,153.019676,4.369447852,0,5.556828062,0,6.922643891,0,8.393668705,0,9.940253332,10.18701099,546.3920394,5.87518322,76.96425357,1.973442399,16.71597774,16.71597774,0,6498,49,11.256,168,1.249750022,2.165692593,2.932762295,3.750247486,5.029897229,5.998512169,7.069011747,8.015594266,8.89691663,9.632559671,102.4001771,117.427269,132.2663206,187.6556181,245.3298718,293.2107843,336.8699694,380.0933264,426.2761801,478.7810321,317.1059455,393.6220096,441.1952503,596.5958028,779.4799118,949.9523781,1097.234421,1270.656422,1443.895246,1641.875093,9.47808346,16.26894389,21.5324353,28.43436831,38.30873781,45.33625172,53.67652209,61.27046454,69.09701745,74.21295456,2.231145772,2.965782647,3.383163828,4.42026508,5.816781369,7.173724763,8.289224581,9.48643752,10.65456679,12.20825238,178.6612354,332.4994243,472.2684768,599.5481672,810.7477575,956.3443367,1133.277729,1281.7425,1426.973534,1513.415048,3.235781963,5.524705136,6.506023349,10.06987113,14.50914811,17.08937038,20.31960787,21.791161,25.645645,28.4282628,0.487035432,0.66387402,0.770640707,1.042104127,1.369625299,1.661445678,1.932524519,2.230762614,2.51852188,2.838952049,1025.661475,3003.74066,37.86436482,251.6646999,-737.0224094,-34.86243577,773.9967755,3740.76307,72.72680059,0.802975383,2.351584676,0.029643458,0.197024617,-0.577004076,-0.027293292,1310.10425,3836.756569,48.3651443,321.4579086,-941.4180153,-44.53070174,0.100400856,0.106463102,0.489408085,0.594261863,1156.267725,121.0584504,0.905225108,0.094774892,2902.559793,53.87540991,14.26462607,3441.956217,58.66818743,15.09854556,6463.595481,80.39648923,18.62764944,1.54806444,1.270477676,25774.4626,18642.18583,7934.207362,1.382588009,3.248523946,2.349596498,13.40394745,13.33591271,25.45341769,0.908637095,21.48530236,28.06032281,10.88807354,120.2683466,50.21880356,7.718940966,31.53552714,14.49613438,84.13497198,11.43388014,26.94798509,74.12705279,33.57101471,72.68317762,35.32898571,42.31537768,68.19342522,35.68572591,66.63754247,59.72326256,57.3867963,62.86303081,55.99432465,69.51337109,54.04470984,44.3849152,34.96058854,40.8207731,31.1049667,14.89597866,1.827748382,28.87137031,0.987159794,34.22030701,2.402175919,3.057428873,7.051467905,2.88736134,33.66549695,3.775534014,8.939763437,21.77787033,10.29157232,21.91695163,5.808607839,13.70433312,13.04515718,4.46974093,13.49472174,13.70846087,13.85741495,15.31824696,9.558981286,11.82860051,11.13664823,11.93500171,5.234870177,3.928507279,3.774133482,1.37408952,5.829428902,27.32175292,2.686149452,37.43501519,4.846660354,3.014597648,10.48948862,3.313448253,33.39682666,3.28134604,9.282640471,26.70876498,9.81638063,25.56012799,9.450135944,16.28237364,19.2512815,8.708451566,18.00007709,18.96561065,20.06335381,19.16450306,14.63719474,19.25940803,15.24207157,15.95233751,8.691835023,8.6477589,6.739718911,2.670641784,20.28800651,28.88875497,11.2083242,114.1332224,45.41547988,7.960387969,32.27828747,14.93153089,85.42565648,12.25667642,27.81136676,74.32723846,34.90271128,73.38594188,34.26091484,41.88271916,68.67776818,34.47128843,66.92011627,57.56555209,55.45459348,62.80710415,53.99406727,65.47913369,51.62627461,42.34433603,33.27532996,38.65539162,29.38573007,14.80439039,8.580190618,26.73429983,3.684905858,43.67804516,8.715579102,3.324242415,12.76411245,3.935665178,36.15804427,3.622717993,10.45224468,31.55079495,11.40180023,29.60908612,12.30922616,18.84423174,23.92554396,11.88814008,22.10464629,23.67992194,24.71628101,22.91572487,19.21526682,25.40583946,19.40875152,19.49924992,11.64352643,12.52907889,9.496118867,3.694007413,25.94664847,28.5973329,13.94953572,161.6615049,72.74561205,9.343344028,39.83380731,19.85468647,107.0225717,15.2391309,34.92246682,91.82027216,43.98844435,92.73320472,46.23983847,52.72142139,89.02631262,46.7628847,87.99501174,75.6567335,72.1531716,81.76876794,72.6589549,90.19882081,69.98159897,55.22373463,46.07323859,53.85231367,41.14441702,20.70351874,13.29302303,29.52683425,8.659227345,85.38485724,24.10503913,11.42771074,28.79303955,16.98410188,85.60166088,20.07246358,32.62306468,71.07182322,63.32854039,73.49645023,24.99642926,33.06328651,62.79541875,27.65210657,61.4180436,41.704996,38.89653329,61.46619021,42.07453754,41.77722329,35.60786455,34.64034826,24.44607136,29.49517306,22.78465494,11.52688209,43.06931506,14.75886866,1.180940288,0.72987552,0.250111638,0.441622112,0.343228155,0.423135058,59.00912401,703.9459963,1513.624968,0.59481328,1.207985325,33.38765426,14.73550829,0.748749832,0.683166519,0.301512823,0.265430633,0.347092044,0.153311102,48.87191238,528.016266,945.2611578,0.524749779,0.765833779,38.474696,14.60985847,0.933097073,0.712261546,0.270464525,0.352457074,0.33826767,0.256228059,54.01765154,611.6429057,1190.163626,0.568392319,0.946952802,42.08648387,14.79467001,1.156525864,0.725157933,0.254914912,0.42169588,0.345271801,0.404311472,58.03767974,688.4401664,1466.595199,0.587736899,1.171279152,40.66037937,14.58968902,1.017601984,0.722624184,0.259290796,0.393629963,0.336318231,0.310623102,56.26767037,649.4448695,1309.376719,0.583936276,1.040571296,43.46526035,14.79423625,1.210257455,0.730880109,0.248769084,0.449774238,0.344740524,0.444833309,59.46975406,713.5443206,1551.252377,0.596320164,1.239348072,42.23523879,14.89131697,1.163726025,0.724567415,0.255468262,0.424680347,0.349812558,0.409316942,58.29028179,695.4179879,1485.62017,0.586851122,1.183809847 +UMLPP0027,L,2-Ethylhexyl (Trimellitic anhydride),CCCCC(CC)COC(=O)C1=C(C(=O)OCC(CC)CCCC)C=C(C=C1)C(=O)OCC(CC)CCCC,UML,,-36,0,-1.8576,3.45067776,143.6676,98.898822,6,6,93,39,54,0,33,0,6,0,0,0,0,0,0,0,6351.391455,6711.182283,8874.49698,10279.78271,10916.97279,11379.05169,11245.84289,10917.95921,11057.21204,16952.92462,21625.84986,30120.27729,34932.21254,36163.72488,36161.64394,36859.43841,37444.50276,37968.70339,691.74438,700.872564,1299.588984,1738.024468,1950.82492,1923.5925,1814.793184,1896.034668,1753.53682,119.9020209,155.8524527,229.1432607,271.0318944,274.974791,272.5409183,279.0399367,285.5695484,287.5645573,15282.47468,13452.53821,27036.09046,38007.52012,42135.76639,41461.88828,38272.35977,40277.92608,36763.69202,329.5,237.1944444,425.6666667,519.2777778,659.9166667,714.7222222,722.8055556,732.8888889,622.5277778,68.29453177,72.16325035,51.00285621,43.37461061,42.31384802,44.97648888,47.05373592,43.84722572,47.45584566,182.289512,232.5360199,173.1050419,147.3933019,140.1694763,142.931399,154.2235917,150.3795291,162.9558085,7.438111613,7.536264129,7.468902207,7.333436574,7.561336899,7.603132411,7.593276921,7.61459706,7.525909099,1.289269042,1.675832825,1.316915292,1.143594491,1.065793763,1.077236831,1.167531116,1.146865656,1.234182649,164.3276847,144.6509485,155.3798302,160.3692832,163.316924,163.8809813,160.1353965,161.7587393,157.7840859,3.543010753,2.550477897,2.446360153,2.191045476,2.557816537,2.824989021,3.024291027,2.943328871,2.671793038,0.899112137,-0.523181386,0.048077332,0.274477215,-0.366767034,-0.038246732,0.099345098,0.128406732,-0.013240876,3136.571987,73.3578449,107.7970802,1321.186049,573.1742877,1198.241827,222.9937077,-147.8069355,-237.8070064,4677.793555,-160.0700129,-367.4229212,754.4508725,612.9664373,1588.219711,-203.9970995,479.742635,-519.3858778,6.139002581,0.084004645,2.415422398,1.11196723,-1.366238127,2.077759646,2.248026185,0.828088832,-1.156308616,20.95214032,-1.662672984,-1.851646357,-1.743465285,0.168533403,6.257370719,-1.426605612,5.289348427,-3.369031832,116.589699,-10.67879903,-9.256622369,-18.13481216,-4.373932665,33.3968973,-7.583239348,34.73394435,-20.70302187,118.7473118,-0.655017921,36.42976067,32.45039889,-8.89128801,42.36125564,31.76497283,-7.497282923,-34.18860562,0.009667872,-0.005625606,2.76E-04,0.001158132,-0.001421578,-1.51E-04,4.16E-04,5.16E-04,-5.68E-05,33.72658051,0.788794031,0.619523449,5.57462468,2.221605766,4.736133704,0.933028066,-0.59360215,-1.020630929,50.29885543,-1.721182934,-2.111625984,3.183337015,2.375838904,6.277548264,-0.85354435,1.926677249,-2.229123939,0.06601078,9.03E-04,0.013881738,0.004691845,-0.005295497,0.008212489,0.009405967,0.003325658,-0.004962698,0.225291831,-0.017878204,-0.010641646,-0.007356394,6.53E-04,0.024732691,-0.005969061,0.021242363,-0.014459364,1.253652678,-0.114825796,-0.053198979,-0.076518195,-0.016953227,0.132003547,-0.031729035,0.139493752,-0.088854171,1.276852815,-0.007043203,0.209366441,0.136921514,-0.034462357,0.167435793,0.132907836,-0.03010957,-0.146732213,-0.581886691,0.028579867,0.119791786,-0.147041416,-0.015636621,0.042994968,0.053340555,-0.005878004,0.023387904,0.018368997,0.16528876,0.065871065,0.140427332,0.027664473,-0.017600425,-0.030261915,-0.034219127,-0.041981591,0.063288458,0.047234453,0.124804992,-0.016969459,0.038304594,-0.044317588,0.013683761,0.210295013,0.071076949,-0.080221694,0.124411326,0.142491382,0.050380528,-0.075180113,-0.079355758,-0.047234938,-0.032652731,0.002899485,0.109780681,-0.026494796,0.094288208,-0.064180596,-0.091592989,-0.042435182,-0.061036199,-0.013523066,0.10529515,-0.025309271,0.111269856,-0.070876226,-0.005516065,0.163970693,0.107233592,-0.026990078,0.131131632,0.104090177,-0.023581081,-0.114917092,1.647205034,0.916525457,0.875085499,1.545005657,1.552255046,1.449736009,1.358522127,1.442894124,1.053517392,1.013471879,0.8115498,1.001632149,0.938699357,1.050143654,1.104138931,1.088998986,1.318235335,1.152735612,0.9745112,0.922111872,0.836047969,1.037581201,0.956167967,1.107671268,0.701032657,0.69980711,0.729353555,1.515019616,1.390726007,1.222462087,1.42607388,1.238242361,1.443061164,1.191734354,1.079390257,0.969370579,0.853230912,1.064018631,0.912372055,1.152688227,1.464674199,1.191924788,1.104447652,0.998406946,0.872343502,1.076558443,0.911180913,1.169392523,0.576669031,0.484035962,0.56113393,1.284417307,1.202408931,1.45986813,1.693241083,1.487070282,533.7325403,267.6162702,354.5732875,535.1556172,13.7219389,267.6162702,1.5,0.068509933,0.001756665,-10.45502847,576.2241879,14.77497918,24.79033752,533.8609159,267.6782547,354.6578773,535.2798123,13.72512339,267.6782547,1.495593475,0.068488845,0.001756124,-10.45622914,576.3233352,14.77752141,24.79100851,647.5355156,322.5707744,429.7898652,645.5098514,16.55153465,322.5707744,-2.393966868,0.053878056,0.001381489,-11.39202486,666.3033606,17.08470155,25.35680575,533.995648,267.7433084,354.7466564,535.4101569,13.72846556,267.7433084,1.490968801,0.068466727,0.001755557,-10.45748884,576.4273994,14.78018973,24.79171265,767.9093327,380.7077836,509.6819525,762.414608,19.54909251,380.7077836,-6.493765586,0.044013855,0.00112856,-12.18067815,764.4999853,19.60256373,25.89296582,547.1744065,274.1066058,363.4342763,548.1599395,14.05538306,274.1066058,1.038805115,0.066371534,0.001701834,-10.57869939,586.6433303,15.04213667,24.86022638,546.0959394,273.3075246,355.7893146,548.2868868,14.05863812,273.3075246,3.268290043,0.042789284,0.001097161,-12.2907236,717.6708882,18.40181765,25.64644325,0,11.89,15.99996461,-0.312496193,0.296165626,5.003238479,10.42688514,39,93,87,84,30,6,3,0,0,9,67.655178,3.919279108,3.592716068,3.574366201,3.546342397,3.388550177,3.293443526,3.216718372,3.182533579,1.969385913,1.924295825,1.92378949,1.911527347,1.722198406,1.721625433,1.719627481,1.45845796,3.87949458,3.574835851,3.570718367,3.561390722,3.283835397,3.248593872,3.238249619,3.186270616,1.985280741,1.877296936,1.875545456,1.8607927,1.657574815,1.654459945,1.648807798,1.46872904,3.944796873,3.704313166,3.697663882,3.67925711,3.460648528,3.421262244,3.400489674,3.348428926,1.905958268,1.703995709,1.702317109,1.695088812,1.432397047,1.428082242,1.424030956,1.251854084,3.872261029,3.587012256,3.584482252,3.577729384,3.28145009,3.267759559,3.262097564,3.172004325,1.996999682,1.851021792,1.847389163,1.827854197,1.625441786,1.615401549,1.603955888,1.499037271,3.946166055,3.748764461,3.745274913,3.731546463,3.495081879,3.482414031,3.472685952,3.373284786,1.900730988,1.656831602,1.654083284,1.645267797,1.37322522,1.361578512,1.354891601,1.250845223,4.977538023,4.948461678,4.931159888,3.800189306,3.585353849,3.584672561,3.5812302,3.338046554,1.847360736,1.840422317,1.840102309,1.78237969,1.534595559,1.534107544,1.532443413,1.175886477,0,0,3,3,3,9,12,3,0,0,0,0,0.068041382,0.11785113,0,0,0,0.024056261,0.036084392,1.758311411,0,0.365856775,0,0.965043336,0,0.058778483,0,4.404817017,5.958722268,7.829400266,2.030590073,2.202780533,2.132180912,29.04539483,18.83999748,14.81425052,11.98278905,8.436246794,6.642181598,4.719753905,2.949264252,0.744753714,0.483076858,0.308630219,0.206599811,0.129788412,0.085156174,0.056187546,0.033137801,25.52019308,15.49567945,10.80525477,7.675315743,4.531879085,3.014387231,1.660690123,0.731224814,0.654363925,0.397325114,0.225109474,0.13233303,0.069721217,0.03864599,0.019770121,0.008216009,51.91814533,91.95557174,87.68235294,88.92,57.44240838,711.1461808,0.558259627,0.988769589,0.942820999,0.956129032,0.617660305,7.646733127,8.8062,157.2075,364.4597683,492.6377931,728.9195366,18.69024453,364.4597683,0.075350623,0.001932067,-10.08385205,500.7613592,12.84003485,24.24290567,1091,0,0,6,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,24,0,0,3,0,0,0,0,0,0,0,0,6,0,15,0,0,3,3,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,56.10038352,3.181075201,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.807546209,0,9.636096134,0,0,1.807546209,0,0,0,0,0,0,0,0,12.69157903,0,13.18161028,0,0,4.4524895,0.845351968,0,0,-1.68211535,0.410701051,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,39.20139607,16.89898745,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.596938801,-0.612080096,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.582857368,0,0.281709877,0,0,0.582857368,0,0,0,0,0,0,0,0,2.083683885,0,0.280783837,0,0,1.426227324,0.259653243,0,0,-0.612080096,0.055023849,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.88922958,5.596938801,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.22314573,1.534904702,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.627057168,0,0.70363981,0,0,0.627057168,0,0,0,0,0,0,0,0,2.144873348,0,1.09962219,0,0,1.534904702,0.306392932,0,0,0,0.232638531,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.22314573,5.664686509,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,86,2.205128205,0.70363981,13.22314573,-0.244017426,-0.612080096,13.84618572,2.278746763,6.223145729,50.5839251,2.278746763,6.223145729,50.5839251,18.49998,0.47436,0,0.02564,0.5172,0.81795,0.43333,0.50404,0.81795,0.08387,0.01316,-0.07071,0,0.57994,0.13435,0,0.21622,0.24324,0,32.25,0.82692,21.75,0.55769,10.5,0.26923,-11.25,-0.28846,0,0,55.52799,1.42379,83.1133,27.58531,0.70732,14.00828,0.35919,18.83994,4.83166,0.12389,0.57406,0.01472,0.66006,0.01692,0.064516129,39.06,6,6,6,6,0,0,0.727272727,1.240893155,2.390103785,3.545383945,4.099252493,4.367483849,4.504633177,115.4030634,222.279652,329.7207069,381.2304819,406.1759979,418.9308855,0.189763422,0.365506306,0.542177373,0.626877648,0.667896892,0.688870435,5.298265657,4.149055027,2.993774866,2.439906318,2.171674962,2.034525634,0.187181536,0.360533295,0.534800607,0.618348465,0.65880961,0.679497791,10.90420493,22.97679151,26.91985973,28.98563173,30.38026137,32.19787759,141.8552276,83.40355707,66.97177459,56.70567251,51.29345255,45.27562331,37.02564103,22.57899306,14.63971463,11,15,7,4.43,4.7439,1.145505404,13.08241323,6.660895373,0,21.77481508,30.35784908,0,9.249270297,0,0,0.50471726,2.17695998,0.50471726,0,0,0,0,0,0,0.003,1.196,1.186,1.681,0.755,17.434,48,58,65,78,84,89,93,101,108,802,3.828641396,4.182050143,4.59764192,4.979316611,5.450770177,5.699607103,5.971341556,5.911981579,6.081290969,6.197080382,7.866410815,3.250857232,0.473684211,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,24,0.615384615,30,0.769230769,2,10,19,0.9,7,4.222222222,2.0625,1.853333333,1.680555556,0.875102041,0.684027778,0.61627614,0.48375,0.342822161,0.179487179,0.087962963,0.0375,0.033095238,0.028483992,0.015087966,0.012000487,0.010445358,0.008638393,0.006592734,0.442470882,308.2644468,414.3865459,616.5288937,15.80843317,308.2644468,0.086403302,0.002215469,-9.550044612,513.8563389,13.17580356,24.34358055,78.9,592.9901007,6.285402219,5.164785974,5.958424693,6.778784898,7.602401336,8.437067147,9.275285061,10.12025079,10.96845688,11.82137294,154.1268297,4.369447852,0,5.602118821,0,7.023758955,0,8.537583881,0,10.10883366,10.34721137,546.3920394,5.87518322,76.4840637,1.961129838,16.7507786,16.7507786,0,5730,55,10.44,174,1.247680685,2.154067326,2.912201693,3.629020687,4.508255889,5.432395074,6.321266524,7.210840365,8.189321642,9.11722884,100.7394465,119.2737686,137.9439273,173.7984346,224.0157405,281.8932386,305.1957,373.0232043,396.2002084,426.7875331,313.5987767,396.6576091,457.3233845,556.0197396,701.9105575,901.9289217,1018.297778,1258.893999,1355.464892,1454.554974,9.452570152,16.15267143,21.43814314,27.53169893,34.4319751,41.4958264,48.21680303,54.47280068,63.135728,70.41882218,2.212984583,2.973957195,3.488001708,4.139372598,5.185730188,6.710573866,7.646042053,9.404131171,10.100469,10.87118694,178.5846238,331.1557387,463.1411375,584.7909987,729.94353,859.9648823,1012.7037,1123.687885,1294.307144,1449.147457,3.254935658,5.392292759,6.525982917,9.455148937,12.62663064,16.86853124,18.73144588,19.69355908,23.71723247,26.0129203,0.483020224,0.663271443,0.793852802,0.981938949,1.226882623,1.561400159,1.764064186,2.144874589,2.366430528,2.576759823,888.4287561,2587.648326,30.31758044,173.2994956,-504.754204,-26.69355229,715.1292606,3092.40253,57.01113273,0.836776034,2.437203985,0.028554934,0.163223966,-0.475408094,-0.025141605,943.26991,2747.379334,32.18903168,183.9969704,-535.9117986,-28.3412986,0.100954722,0.106949385,0.130170485,0.928968105,970.9814662,90.74678548,0.914529179,0.085470821,3026.285038,55.01168092,14.46449504,3550.021923,59.58206041,15.25493442,7433.404354,86.21719291,19.51622962,2.607024837,2.607024837,21016.01366,15600.5869,6103.164762,1.347129681,3.443461627,2.556147099,12.03858506,12.46982619,23.1542711,0.856823884,15.34541681,23.78965983,18.18849234,89.83133314,39.50397884,44.04904785,36.95800478,57.63738862,51.70483898,48.02251219,34.67565119,66.11180522,46.94275556,43.13654742,35.92274179,58.26669213,46.63513543,48.75830252,35.45741685,52.35530283,57.29141523,49.37251631,59.00825755,55.60607753,55.28207274,49.84679677,26.33958841,42.88360607,34.0221319,21.6798799,1.337478871,22.94655211,2.534742531,34.37339152,6.802182116,18.75356803,13.61447811,16.45241594,17.17368521,12.73819356,12.32708705,18.63369105,13.09414359,9.936910743,15.20468808,21.96858149,13.01820223,10.65455406,6.465800947,12.9339901,12.8536018,12.41466929,11.1991748,6.529497825,10.35877523,7.19897285,3.712473791,8.929864701,2.842741761,2.517324414,4.174996146,22.1899172,4.37336172,37.20449246,6.847481053,20.14879823,14.04699621,18.10429339,18.81903168,15.55692976,13.47484956,23.83771278,14.20490607,12.85801427,14.67962147,24.39296863,16.29781368,13.69359407,10.24220927,16.98823565,17.19481985,16.11308965,16.4923549,12.78565895,15.77480284,12.26270837,5.861171673,11.7917315,6.581463139,4.976972612,14.50017443,24.09906531,19.26851164,87.06923579,39.10310143,44.00068208,39.06424827,58.42639487,52.85007838,49.13191966,34.86217372,64.81142478,48.01202674,43.59912809,38.8507488,59.33312218,46.70718601,48.71125751,34.66511518,51.14904176,56.86922606,48.18181702,57.06010331,52.22430051,52.61198002,48.17373382,24.64331747,41.06561272,31.34868601,19.99318191,6.130367931,21.98179971,5.675692474,41.64099312,8.652418295,22.08780151,15.0362194,20.93752122,20.94448072,18.40504451,15.34162326,28.39777976,16.35819711,15.36184143,15.00438445,26.99956353,19.1870378,16.83258147,13.08389967,20.71997051,21.03819075,19.38718908,21.07335572,18.05316123,20.37062802,16.31497079,8.086896162,14.82722202,9.885957491,7.096516584,18.53185482,24.67436763,23.87664774,113.9006857,56.22905068,53.99797573,47.44356404,74.31046847,66.52543916,61.59255055,43.27415352,83.28466105,61.23198083,56.5601537,46.37042104,72.53453551,59.03820347,63.2073451,45.86299554,66.61789441,74.10374083,63.88523225,76.76838207,72.91472241,71.63794716,66.01685909,35.02423718,56.48200605,45.62561615,28.50825845,9.654645996,21.72151452,18.76411419,76.67910627,35.70125334,41.21445673,46.95089864,62.31957465,45.30656225,57.91797901,35.39519712,56.53336594,54.15144876,40.86608694,47.5249713,62.55067761,44.83094371,39.17288805,28.47145944,44.74204597,44.77118007,40.83986907,37.27766598,34.49625242,39.1798839,32.10630243,17.88951506,30.30381453,16.868129,10.98420032,36.1763164,14.1510339,1.032902285,0.704364067,0.275525006,0.470900693,0.399117297,0.391848669,51.36025258,563.9155148,1144.051789,0.556546101,1.261866659,27.92720805,10.58305598,0.629468702,0.713525773,0.270391626,0.280777353,0.223233823,0.141860165,39.13973273,319.796212,544.9786965,0.570288659,0.645871341,32.19295784,12.43101782,0.749887339,0.709504453,0.27396869,0.372924981,0.307929439,0.205132543,45.373863,433.654187,779.1263887,0.564256679,0.885986962,35.36020208,13.7973662,1.021748588,0.704676833,0.27496122,0.449920374,0.379441617,0.38269632,50.17931686,538.1043328,1086.771957,0.557015249,1.212058311,34.04117505,13.23080889,0.820884271,0.707821686,0.275109582,0.416931442,0.348813736,0.246963373,48.09286821,489.1971095,907.0099173,0.561732529,1.012708551,36.53101184,14.3037678,1.072891306,0.703769042,0.275561734,0.480187057,0.40779843,0.422880028,51.90767095,577.0713039,1189.598061,0.555653563,1.310865515,35.48827727,13.85209806,1.033341025,0.704499883,0.274986621,0.453237318,0.382558519,0.391468393,50.37371635,542.5725307,1100.923361,0.556749824,1.22726423 +UMLPP0028,L,Iso-decyl (Trimellitic anhydride),CC(C)CCCCCCCOC(=O)C1=C(C(=O)OCCCCCCCC(C)C)C=CC(=C1)C(=O)OCCCCCCCC(C)C,UML,,-30,0,-1.2564,1.57854096,160.14,117.460338,6,6,111,45,66,0,39,0,6,0,0,0,0,0,0,0,7229.168949,7722.052065,10036.7482,10602.28714,10870.56736,10966.143,10708.98649,10789.5771,10460.52387,19867.03096,25543.79066,35601.55996,39886.43137,38902.86443,37357.34506,37331.05877,37584.06896,37392.23209,817.609044,831.527244,1555.966032,2114.772076,2294.415664,2026.444896,1973.32174,1996.15726,1955.459592,141.9707757,185.9483845,275.2694016,321.7348729,310.8188142,291.3663983,293.839756,294.156368,289.5298496,18262.25264,16050.77492,32581.30365,46864.98784,51658.53169,44215.83205,43072.10366,43290.41616,42054.99748,355,268.1944444,485.1666667,598.8611111,692,706.6111111,664.75,690.0833333,634.75,65.12764819,69.56803662,47.79403906,36.43397644,34.84156205,40.46547232,40.2593477,40.4104011,40.23278412,178.9822609,230.1242402,169.5312379,137.0667745,124.688668,137.8499818,140.3423262,140.7643032,143.8162773,7.365847243,7.491236432,7.409362057,7.267257993,7.353896359,7.477656443,7.418502782,7.476244419,7.520998431,1.279015997,1.675210671,1.310806674,1.10561812,0.996214148,1.075152761,1.104660737,1.101709244,1.113576345,164.5247985,144.6015759,155.149065,161.0480682,165.5722169,163.1580518,161.9252017,162.1363901,161.7499903,3.198198198,2.416166166,2.31031746,2.057941963,2.217948718,2.607421074,2.49906015,2.584581773,2.441346154,0.922045006,-0.519326441,0.074889826,0.18133652,-0.294648767,-0.041839202,0.007034047,0.281421585,-0.120529424,3642.68999,75.69331784,-132.8854497,552.5438599,1538.642297,859.0692077,741.5505852,394.2611657,-296.5128724,5590.847451,-162.674145,-833.610715,-258.1260554,1873.513492,712.9729915,313.5570033,117.2985268,-163.7128171,6.31167373,0.115733189,2.472658457,0.73381806,-0.055670375,2.843841435,3.305492359,2.624536596,-1.782773493,24.99168085,-1.675466665,-3.924237365,-5.03096326,4.802352202,2.113648403,0.064141562,0.262654414,-0.653157823,138.4935856,-10.73502297,-20.44345389,-33.90424152,19.56864437,10.88590364,-0.478181876,2.209804576,-4.252983136,121.4774775,-0.138888889,41.4660336,25.80904553,10.83057382,46.76069313,46.83850743,32.21258421,-41.71526256,0.008306712,-0.004678617,3.57E-04,6.23E-04,-9.44E-04,-1.54E-04,2.64E-05,0.001054013,-4.64E-04,32.81702694,0.681921782,-0.632787856,1.898776151,4.931545823,3.169997076,2.787784155,1.476633579,-1.140434125,50.36799505,-1.465532838,-3.969574833,-0.887031118,6.004850937,2.630896647,1.178785727,0.439320325,-0.629664681,0.056861925,0.001042641,0.011774564,0.002521712,-1.78E-04,0.01049388,0.012426663,0.009829725,-0.006856821,0.225150278,-0.015094294,-0.018686845,-0.017288534,0.015392154,0.007799441,2.41E-04,9.84E-04,-0.002512145,1.24768996,-0.096711919,-0.09734978,-0.116509421,0.062720014,0.040169386,-0.001797676,0.008276422,-0.016357627,1.094391689,-0.001251251,0.197457303,0.088690878,0.034713378,0.172548683,0.176084614,0.120646383,-0.160443318,-0.563233289,0.042931334,0.075017597,-0.11368964,-0.018585958,0.003183424,0.126886963,-0.055807246,0.020779511,-0.019282303,0.057859481,0.150273997,0.096596108,0.084949321,0.044995958,-0.034751293,-0.029096509,-0.078811452,-0.017611007,0.119219574,0.0522335,0.023403467,0.008722212,-0.012501285,0.018336371,0.207072905,0.04434798,-0.003137964,0.184550202,0.218541017,0.172870071,-0.120587213,-0.067040976,-0.082997209,-0.076786641,0.068363915,0.034641044,0.00107099,0.00436919,-0.011157639,-0.077512781,-0.078024015,-0.093380106,0.05026891,0.032195006,-0.001440804,0.006633396,-0.01311033,-0.00114333,0.180426537,0.081041257,0.031719336,0.157666295,0.160897251,0.110240588,-0.146605022,1.639471616,0.908639214,0.907111761,1.302191613,1.336368455,1.256205766,1.28043239,1.643677919,1.106355357,1.073436788,0.920266901,0.855473335,0.966092249,0.954013164,1.019844172,1.127277942,1.344321662,1.208601636,1.050101648,0.828946221,0.930511076,0.985218394,0.991681192,1.014780649,0.70539785,0.697939073,0.741488868,1.206806413,1.228796838,0.981629772,1.19803421,1.640040049,1.451389291,1.242927479,1.115686192,0.871983198,0.950850589,1.013635507,1.002447802,1.022108735,1.469908429,1.242186683,1.128837334,0.893286205,0.96353245,1.022175309,1.010218994,1.03798443,0.581017832,0.464437128,0.582371628,1.166523117,1.255714257,1.041638438,1.265812309,1.673901618,849.9747184,425.7373592,565.7408285,851.4080518,18.92017893,425.7373592,1.5,0.057746882,0.001283264,-12.83258662,874.8068939,19.4401532,30.48301426,850.125685,425.8106392,565.8419913,851.5548077,18.92344017,425.8106392,1.495593475,0.057732321,0.00128294,-12.83372149,874.9065009,19.44236669,30.48352661,983.8525969,490.729315,655.6856533,981.7778256,21.81728501,490.729315,-2.393966868,0.047359565,0.001052435,-13.72493917,967.3107823,21.49579516,30.93533924,850.2841268,425.8875478,565.9481639,851.7088303,18.9268629,425.8875478,1.490968801,0.057717047,0.001282601,-12.83491218,875.0110544,19.4446901,30.48406434,1125.600523,559.5533786,751.2802571,1119.972593,24.88827983,559.5533786,-6.493765586,0.039963118,8.88E-04,-14.48909237,1071.115996,23.80257769,31.39405367,865.7824987,433.4106519,576.3373825,866.7751347,19.26166966,433.4106519,1.038805115,0.056264907,0.001250331,-12.9495792,885.3073396,19.67349644,30.53670687,872.2459212,436.2630729,573.0865213,874.4528883,19.43228641,436.2630729,3.259798535,0.036133861,8.03E-04,-14.94236189,1152.286886,25.60637524,31.72276729,0,11.89,15.99997377,-0.312780766,0.296221035,4.885047863,10.23777036,45,111,105,102,36,6,3,0,0,9,80.773662,3.918226946,3.554261603,3.54298172,3.535031678,3.479420458,3.429728871,3.380035077,3.308687521,1.965593062,1.937452559,1.937341395,1.933090542,1.811514509,1.810725752,1.805817948,1.594535106,3.878774519,3.563164227,3.562230644,3.560415273,3.417870727,3.40539395,3.394224751,3.250911621,1.982426107,1.881209194,1.880764711,1.877060773,1.760500311,1.757130193,1.745990576,1.563400061,3.94342299,3.688298826,3.686141335,3.681699673,3.57670295,3.557940477,3.534668397,3.419830556,1.904965179,1.70608907,1.705737033,1.704262773,1.560966698,1.557512062,1.551080257,1.334484075,3.871618802,3.581941201,3.581429877,3.580170328,3.426709635,3.420284004,3.413179434,3.225383495,1.994518786,1.846560113,1.845458796,1.8404736,1.735502139,1.727412827,1.708504557,1.563945152,3.944658557,3.743419996,3.742501009,3.739360397,3.617559331,3.609186482,3.59498929,3.436930166,1.899814839,1.652637634,1.652028196,1.650243642,1.508753828,1.502056857,1.492957862,1.311042251,5.026907684,4.999489342,4.982906791,3.819574643,3.586050086,3.585833346,3.584890493,3.482848481,1.831387366,1.829804026,1.829735472,1.776587691,1.666531081,1.666083201,1.661789823,1.399104256,0,0,3,3,3,9,18,3,0,0,0,0,0.068041382,0.11785113,0,0,0,0.024056261,0.036084392,2.370683846,0,0.365856775,0,1.577415772,0,0.058778483,0,3.792444581,4.90757512,6.568781755,1.601230339,1.535646318,1.494106962,33.28803551,21.61196866,18.11024545,12.33501157,8.98232591,6.690598812,4.771692334,3.429824049,0.739734123,0.48026597,0.335374916,0.212672613,0.138189629,0.089207984,0.058909782,0.039423265,29.76283376,18.26765063,14.01898736,8.172002838,5.306473465,3.435124531,2.129008416,1.312224938,0.661396306,0.405947792,0.259610877,0.140896601,0.081638053,0.04580166,0.026284055,0.015083045,61.16911215,109.2825929,104.0352941,105.48,68.23373533,849.3157114,0.551073082,0.984527864,0.937254902,0.95027027,0.614718336,7.651492895,11.1468,184.9095,535.7781435,722.2814243,1071.556287,23.81236193,535.7781435,0.06650584,0.001477908,-12.19709484,696.211749,15.4713722,29.45544233,1663,0,0,6,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,30,0,0,3,0,0,0,0,0,0,0,0,6,0,21,0,0,3,3,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,55.50587229,3.205842324,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.822050536,0,10.53712563,0,0,1.822050536,0,0,0,0,0,0,0,0,13.45562479,0,20.64023693,0,0,4.450598721,2.192423662,0,0,-1.671396506,0.426640109,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,38.9245766,16.58129569,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.493351884,-0.608372315,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.586940497,0,0.247765697,0,0,0.586940497,0,0,0,0,0,0,0,0,2.240940012,0,0.277929646,0,0,1.42441899,0.725793179,0,0,-0.608372315,0.060390131,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.80397064,5.493351884,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.12486448,1.535223375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.632778384,0,0.70363981,0,0,0.632778384,0,0,0,0,0,0,0,0,2.244384483,0,1.250298759,0,0,1.535223375,0.736156493,0,0,0,0.237947703,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.12486448,5.55682655,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,95,2.111111111,0.70363981,13.12486448,-0.186145038,-0.608372315,18.34492811,2.275038982,6.124864479,50.92299416,2.275038982,6.124864479,50.92299416,21.49998,0.47778,0,0.02222,0.5036,0.80222,0.43333,0.49316,0.80222,0.07027,0.01044,-0.05983,0,0.59557,0.11872,0,0.18605,0.2093,0,35.25,0.78333,24.75,0.55,10.5,0.23333,-14.25,-0.31667,0,0,66.40765,1.47573,94.29663,27.88898,0.61976,16.75119,0.37225,21.61191,4.86072,0.10802,0.80209,0.01782,0.88809,0.01974,0.054054054,45.06,6,6,6,6,0,0,0.769230769,1.203690881,2.243279288,3.352893005,4.0066626,4.308552465,4.082131889,133.6096877,249.0040009,372.1711236,444.7395486,478.2493236,453.1166396,0.177158847,0.330165143,0.493477743,0.589699347,0.634131403,0.600806893,5.590724986,4.551136579,3.441522861,2.787753267,2.485863402,2.712283978,0.175200434,0.326515313,0.488022564,0.583180481,0.62712136,0.594165238,10.45122753,21.39868371,25.2936531,28.4039804,28.46186988,27.97419255,164.4205031,103.2257973,84.68084651,66.08466467,67.06980705,74.88923684,43.02222222,27.89986283,23.0725327,13,15,9,5.09,5.5893,1.02782104,12.14582938,5.025096677,0,0,30.05698161,0,5.870959811,0,0,0.50471726,2.17695998,0.50471726,0,0,0,0,0,0,0.003,1.196,1.186,1.681,0.755,20.428,54,58,65,75,81,87,85,88,90,773,3.951243719,4.26969745,4.59764192,4.979316611,5.424674649,5.669018482,5.936298632,5.80268468,5.890175592,5.861498221,7.759294134,3.03007762,0.48,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,30,0.666666667,36,0.8,2,13,25,0.923076923,7,3.555555556,2.0625,1.613333333,1.291666667,0.834285714,0.598958333,0.468631897,0.316875,0.30976431,0.155555556,0.065843621,0.0375,0.028809524,0.023065476,0.015168831,0.010890152,0.008678368,0.005868056,0.005736376,0.390417926,472.5234339,634.5726503,945.0468679,21.00104151,472.5234339,0.074964342,0.001665874,-11.65834224,745.1023107,16.55782913,29.76084692,78.9,696.7660084,6.491853096,5.293304825,6.047372179,6.844815479,7.62900389,8.442254105,9.248695326,10.07630576,10.90060223,11.74040361,166.2227574,4.510859507,0,5.726847748,0,7.095893221,0,8.553910774,0,10.07832282,10.33051844,630.4859398,5.680053512,88.46366914,1.965859314,16.72105701,16.72105701,0,10038,55,14.487,198,1.248002736,2.155228431,2.907141389,3.62458996,4.806217517,5.80873072,6.866994621,7.923410087,8.891417624,9.865832895,97.73654354,112.124235,119.1251936,149.944344,212.5406569,257.8201573,300.2136104,341.9546413,397.5081063,434.1911768,311.4162696,388.7529456,429.5265514,514.3102431,719.5646119,881.5248965,1030.089719,1201.365285,1354.556329,1507.713149,9.396913084,16.02953845,21.19906327,26.82798398,36.00964073,43.25836182,51.33187629,59.58540679,67.7031751,76.09661661,2.217702993,2.960907221,3.385719967,3.984998876,5.517825385,6.821993409,7.968358927,9.205964566,10.2410277,11.27589744,178.4875819,330.8880589,464.4238599,588.6963979,774.4001465,929.2094022,1101.656561,1271.038391,1426.723779,1602.906041,3.08596463,5.103596688,6.119678542,8.314954155,12.16046221,14.80997878,17.65773074,19.25166231,23.44547929,26.18972255,0.479877891,0.654236067,0.759879865,0.921123987,1.273401242,1.554890472,1.826278024,2.127482776,2.412417474,2.662209328,1139.475683,3683.440128,38.80465451,212.4780848,-686.8512559,-32.52298093,926.9975983,4370.291384,71.32763544,0.842836279,2.724531131,0.028702649,0.157163721,-0.50804345,-0.024056282,1540.518443,4979.84076,52.46209888,287.2605474,-928.5911435,-43.96956661,0.09095933,0.096451493,0.78665077,1.005339417,1240.740341,111.2134271,0.917738735,0.082261265,3398.774452,58.29900902,15.03513903,4038.755771,63.55120589,15.92511329,7656.816264,87.50323574,19.7098238,2.189185037,2.189185037,45169.93647,33193.36606,14231.96995,1.360812169,3.173835851,2.332310016,16.62684421,15.92467537,29.77942722,0.870017851,18.69222272,28.17591625,16.59484984,127.9133812,46.85638746,25.59690245,32.82944516,41.89291132,78.23280982,28.90618539,29.29800627,85.53639809,37.34694565,75.74861321,24.62959494,39.70756591,46.53665829,35.54332106,37.87442233,47.16445405,58.67989651,49.38996527,41.82145571,41.72099928,69.40272739,67.6352543,77.41058024,63.68047432,79.04757413,61.08519966,1.618353155,28.62820671,2.33501796,36.78205758,7.118512242,14.57244342,9.243603417,9.705575625,22.20163051,6.457154878,12.89491163,16.64576803,13.68144319,17.72354269,9.26118051,15.45406757,12.19613345,6.4167387,8.956487142,11.42270776,19.75069406,15.12816721,11.70915085,6.893243982,19.30294605,17.54080208,16.56249613,14.60799115,12.76911486,13.96721262,5.081692538,27.78500072,3.87661443,42.63542857,7.35771916,13.53393119,11.37468204,11.56167443,27.65913222,8.886376434,12.17258886,25.19146787,11.44586087,24.7493944,9.260719197,17.48720948,17.16469882,8.019525546,11.2465664,14.95477227,22.5005484,18.93156738,12.8210087,11.26088173,25.39812578,24.70358197,24.22718951,20.8600258,20.50006878,18.6303464,17.65928623,28.62754156,17.51852442,120.941959,45.31645105,26.22069359,33.79017758,42.21457602,76.7377452,28.99005335,30.17106216,82.87946325,40.27317175,74.21478298,25.0407374,40.09645477,44.40583505,35.37880794,37.76451237,46.36413077,59.78270741,49.44826716,42.64828523,39.79626233,66.41104398,64.25406155,74.53715016,61.53887641,75.27472075,58.18013798,7.466671551,27.46464835,5.038913157,50.45462488,9.782689787,13.75220382,13.17430221,13.90908063,32.70229415,10.80035123,13.24649723,32.60104419,12.29170108,30.27878407,10.07169462,19.4635722,21.00605434,10.07920645,13.49416347,18.23744263,25.26995511,21.89286501,14.7950054,14.9216684,30.6804976,30.39363885,30.46962048,25.92787618,27.26976122,23.24602928,22.57360746,28.46261107,21.92734375,167.6753208,66.97869547,31.40447868,41.63982078,54.9392897,99.41276283,37.38420329,36.62201828,108.576223,49.66144717,96.98540235,31.5454316,48.64443475,57.99040498,47.99214793,49.5937678,60.21345164,74.25396969,62.2580002,54.10087584,53.86021116,86.89207886,84.13030381,98.91661985,80.71698653,102.8943452,78.73865389,11.82673104,26.5068844,17.44611311,94.35628557,38.50376856,28.82816479,34.85397671,44.92772049,56.68764917,27.88916246,39.64191194,74.38414109,59.54835332,57.53505717,28.47980462,39.8630553,31.42239874,36.50691616,32.41447749,42.91869263,54.28408113,44.02620649,48.2875883,28.29701759,49.6161747,44.86007314,53.03779592,50.75536117,49.65771332,41.60348112,63.76318599,26.49345403,2.013753678,0.691047078,0.287128438,0.460173872,0.360591017,0.388278703,92.2703937,1871.061678,5365.180331,0.536570618,1.209043592,50.8818127,20.85004545,1.898415345,0.691044733,0.283172185,0.293967615,0.224163088,0.332251171,73.6302735,1197.064968,3284.701503,0.5365671,0.850381875,57.92277876,23.9084649,1.877046378,0.691959885,0.285616453,0.380188803,0.29402454,0.333636991,83.70829004,1538.445763,4221.571824,0.537939828,1.007850333,62.44601474,25.92388579,2.031058995,0.690767167,0.286765604,0.441467879,0.345331106,0.39416738,90.40095952,1798.327835,5176.695151,0.536150751,1.180966364,60.82724551,25.17628132,1.883897488,0.692104086,0.286460566,0.419004422,0.325814772,0.338282096,87.88742432,1693.425673,4666.320953,0.53815613,1.083101291,64.23502718,26.70662021,2.039662402,0.690838055,0.287225683,0.466971187,0.36638638,0.398569858,92.98130979,1900.990734,5493.013862,0.536257082,1.231927425,62.67833713,26.02996685,2.047573933,0.69062565,0.286813014,0.444759794,0.348164543,0.400615124,90.75587791,1813.151848,5244.555388,0.535938474,1.193539461 +UMLPP0029,L,Iso-tridecyl (Trimellitic anhydride),CC(C)CCCCCCCCCCOC(=O)C1=C(C(=O)OCCCCCCCCCCC(C)C)C=CC(=C1)C(=O)OCCCCCCCCCCC(C)C,UML,,-9,0,-3.8484,14.81018256,186.3444,145.302612,0,0,138,54,84,0,48,0,6,0,0,0,0,0,0,0,8545.83519,9238.356738,11780.12504,12373.0977,12641.37792,12736.95356,12479.79705,12560.38766,12231.33443,24238.19048,31420.70187,43823.48396,48947.61648,47964.04953,46418.53017,46392.24387,46645.25406,46453.4172,1006.40604,1027.509264,1940.531604,2680.736176,2860.379764,2592.408996,2539.28584,2562.12136,2521.423692,175.073908,231.092282,344.4586129,402.9286327,392.0125739,372.560158,375.0335158,375.3501278,370.7236094,22731.91958,19948.12999,40899.12344,60175.58423,64969.12808,57526.42844,56382.70006,56601.01256,55365.59388,393.25,315.4444444,568.4166667,709.1111111,802.25,816.8611111,775,800.3333333,746,61.92634196,66.94461404,44.62168574,33.26101533,32.16635603,36.18452716,35.96483299,36.09306798,35.86901593,175.6390614,227.6862455,165.9980453,131.5796142,122.0459276,131.8708243,133.6952273,134.0380864,136.2270299,7.292797391,7.445719304,7.3504985,7.206280043,7.27832001,7.364798284,7.317826628,7.362417701,7.394204375,1.268651507,1.674581754,1.304767473,1.083141486,0.997487466,1.05840954,1.08078823,1.078592321,1.08716601,164.7240549,144.5516666,154.9209221,161.7623232,165.3158475,163.4273535,162.4861673,162.6465878,162.3624454,2.849637681,2.285829308,2.153093434,1.906212664,2.041348601,2.320628157,2.233429395,2.299808429,2.187683284,0.960230538,-0.519326445,0.055796926,0.18133369,-0.294685811,-0.042110784,0.006450309,0.28644307,-0.095410644,4391.177555,78.05417635,-495.5477497,639.6559799,1578.097736,969.8262464,852.8737211,519.3555507,-151.2821059,6954.292524,-165.306583,-1525.632652,-185.194867,1870.241777,773.2248801,387.0934612,195.084443,-73.03936537,6.532622609,0.147806609,2.504006836,0.907874185,0.238645701,3.257895433,3.644640832,3.034410813,-1.30909662,31.04422043,-1.688399408,-7.004490835,-4.892819788,4.733561759,2.171783907,0.169527402,0.363537774,-0.534709666,171.3316914,-10.79185804,-37.10148939,-33.41049185,19.2391927,11.01892394,-0.146786807,2.508346476,-3.900803478,124.7264493,0.888285024,42.19541588,29.427615,16.96139204,55.25089267,54.11054663,40.93680424,-30.73709567,0.006958192,-0.003763235,2.11E-04,4.87E-04,-7.50E-04,-1.20E-04,1.86E-05,8.23E-04,-2.80E-04,31.82012721,0.565609974,-1.87707481,1.719505322,4.015515869,2.7551882,2.45784934,1.492401008,-0.443642539,50.39342409,-1.19787379,-5.77891156,-0.497835664,4.758884928,2.196661591,1.115543116,0.56058748,-0.214191687,0.047337845,0.001071062,0.009484874,0.002440522,6.07E-04,0.009255385,0.010503288,0.008719571,-0.003838993,0.224958119,-0.012234778,-0.026532162,-0.013152741,0.012044686,0.006169841,4.89E-04,0.001044649,-0.001568064,1.241533996,-0.07820187,-0.140535945,-0.08981315,0.048954689,0.031303761,-4.23E-04,0.007207892,-0.011439306,0.90381485,0.006436848,0.159831121,0.079106492,0.043158758,0.156962763,0.155938175,0.117634495,-0.09013811,-0.540835169,0.030374555,0.070054999,-0.107763143,-0.017193102,0.002671497,0.118293981,-0.040211106,0.017775227,-0.058990173,0.054038292,0.126194212,0.086586335,0.077241971,0.046901164,-0.013942199,-0.023770439,-0.114675906,-0.009878981,0.094434641,0.043590243,0.02213668,0.011124219,-0.00425039,0.022625922,0.200365572,0.05155541,0.012827812,0.195517661,0.221879296,0.184198738,-0.081097756,-0.054386916,-0.117942675,-0.058467511,0.053541906,0.027426619,0.002171745,0.004643748,-0.006970469,-0.062988102,-0.113195406,-0.072340468,0.039430808,0.025213777,-3.41E-04,0.005805634,-0.009213849,0.007121866,0.176840556,0.087525108,0.047751769,0.173666944,0.172533318,0.130153311,-0.099730725,1.636293088,0.926303313,0.892561307,1.277951866,1.276974023,1.198997336,1.220153533,1.539186028,1.165741119,1.13971909,0.926524519,0.874675873,0.961596344,0.951503354,1.003784791,1.087391724,1.371919574,1.264999668,1.037094256,0.862063442,0.944090867,0.986259885,0.991225335,1.008824972,0.715188627,0.701974672,0.722040475,1.1756611,1.163824686,0.931292115,1.131804585,1.53098277,1.460154455,1.294120343,1.089960643,0.897508528,0.961092971,1.009460325,1.000873713,1.015817421,1.475387591,1.292821675,1.100520483,0.914176594,0.970354414,1.015616199,1.0064196,1.027514651,0.584798294,0.466856267,0.565892824,1.135941088,1.186730254,0.982821642,1.192260811,1.559427323,1284.583485,642.891573,854.9474226,1285.972373,23.81430321,642.891573,1.5,0.075948949,0.001406462,-13.919547,1192.508103,22.0834834,38.2525957,1284.768855,642.9820551,855.0735945,1286.153664,23.81766045,642.9820551,1.495593475,0.07593281,0.001406163,-13.92069463,1192.627177,22.08568846,38.25313487,1448.946879,723.1263062,967.119176,1446.730243,26.7913008,709.7827129,-2.393966868,0.06413428,0.001187672,-14.83259189,1303.74011,24.14333537,38.73415907,1284.963405,643.0770175,855.2060148,1286.343931,23.82118391,643.0770175,1.490968801,0.07591588,0.00140585,-13.92189876,1192.752166,22.08800307,38.25370076,1622.974818,808.0903783,1086.367746,1616.962072,29.94374208,709.7827129,-6.493765586,0.055328448,0.001024601,-15.63012761,1429.38094,26.4700174,39.23098229,1303.993182,652.3658295,868.1632824,1304.955038,24.16583404,652.3658295,1.038805115,0.074300472,0.001375935,-14.03804504,1205.07211,22.31615018,38.3091913,1313.977156,657.0325104,864.5417001,1316.328697,24.37645735,657.0325104,3.251041667,0.054985675,0.001018253,-15.66368593,1618.978745,29.98108787,39.90357446,0,11.89,15.99998756,-0.312780767,0.296323321,4.885044811,10.23777399,54,138,132,132,48,6,6,0,0,6,100.451388,3.896148663,3.560227254,3.551936676,3.547953493,3.510341518,3.473108607,3.450456363,3.401120669,1.953150691,1.949461646,1.949395259,1.933822443,1.870626865,1.870234346,1.865452381,1.731954844,3.853054843,3.575933172,3.575396282,3.574450393,3.482668346,3.477739806,3.472811653,3.338619269,1.959822777,1.892474404,1.892205379,1.889493551,1.815438932,1.813769124,1.806464012,1.681952471,3.920657732,3.698567506,3.697240681,3.694819972,3.623448867,3.613855031,3.602469497,3.50677234,1.878752148,1.719128215,1.718923494,1.718052186,1.628588194,1.627083214,1.623649917,1.47014573,3.845002096,3.595384142,3.595092287,3.594419975,3.498508047,3.495983475,3.49270494,3.334715343,1.973200247,1.8567873,1.856104296,1.853018536,1.78405869,1.779842403,1.768817015,1.661716761,3.920961512,3.75491388,3.754363187,3.752541711,3.673525098,3.669602438,3.662113955,3.538559737,1.874126834,1.665431247,1.665077306,1.664086992,1.574531629,1.571711898,1.567251586,1.421418336,5.080215651,5.054352589,5.035933365,3.812363119,3.60272973,3.602560006,3.601973518,3.539488735,1.835916192,1.835524268,1.835486577,1.747288554,1.734195144,1.733990001,1.718621969,1.564037925,0,0,3,3,3,9,27,3,0,0,0,0,0.068041382,0.11785113,0,0,0,0.024056261,0.036084392,2.370683846,0,0.365856775,0,1.577415772,0,0.058778483,0,3.792444581,4.90757512,6.568781755,1.601230339,1.535646318,1.494106962,39.65199655,26.11196866,21.29222596,14.58501157,10.57331617,7.815598812,5.567187463,3.992324049,0.734296232,0.483554975,0.337971841,0.21768674,0.142882651,0.093042843,0.061857638,0.041586709,36.12679479,22.76765063,17.20096787,10.42200284,6.897463723,4.560124531,2.924503545,1.874724938,0.669014718,0.42162316,0.273031236,0.155552281,0.093208969,0.054287197,0.032494484,0.019528385,75.04556239,135.2731245,128.5647059,130.32,84.42072575,1056.570007,0.543808423,0.980240033,0.931628303,0.944347826,0.611744389,7.6563044,14.6577,226.4625,773.0880139,1039.892187,1546.176028,28.63288941,709.7827129,0.063929303,0.001183876,-14.84987822,962.2320494,17.81911203,37.09398044,2476,0,0,6,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,39,0,0,3,0,0,0,0,0,0,0,0,6,0,30,0,3,0,3,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,56.21863411,3.327502511,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.798165928,0,0,12.62167496,0,0,1.798165928,0,0,0,0,0,0,0,0,13.70007301,0,32.88902099,0,4.51105602,0,2.364769386,0,0,-1.183553509,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,39.42131426,16.79731985,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.563455325,-0.597821775,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.579264061,0,0,0.231635983,0,0,0.579264061,0,0,0,0,0,0,0,0,2.282509334,0,0.2837848,0,1.445440518,0,0.785281165,0,0,-0.597821775,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.96459691,5.563455325,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.29514635,1.554561559,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.624515204,0,0,0.70363981,0,0,0.624515204,0,0,0,0,0,0,0,0,2.284233803,0,1.326566419,0,1.554561559,0,0.79139563,0,0,0.247682962,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.29514635,5.630640645,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,108.5,2.009259259,0.70363981,13.29514635,-0.220463661,-0.597821775,24.20594338,2.264488442,6.295146351,52.83741423,2.264488442,6.295146351,52.83741423,25.99998,0.48148,0,0.01852,0.48986,0.78519,0.43333,0.48194,0.78519,0.05652,0.00791,-0.04861,0,0.61321,0.10108,0,0.15385,0.17308,0,38.25,0.70833,29.25,0.54167,9,0.16667,-20.25,-0.375,0,0,88.16989,1.63278,116.69341,28.52351,0.52821,21.45575,0.39733,26.11191,4.65616,0.08623,0.80209,0.01485,0.88809,0.01645,0.043478261,54.06,6,6,6,6,0,0,0.8125,1.162563308,2.068968748,3.080446351,3.710173527,4.147311917,4.279634355,160.4337365,285.5176872,425.1015965,512.0039468,572.3290446,590.589541,0.163544954,0.291054601,0.433345397,0.521933005,0.583427959,0.602042573,5.945961149,5.039555709,4.028078105,3.398350929,2.96121254,2.828890102,0.162144417,0.288562119,0.42963439,0.517463366,0.578431701,0.596886907,9.944404101,19.50767817,23.08739483,26.18178133,27.5842724,28.64514354,198.6816171,135.1567915,115.87698,93.32448918,83.01122245,79.64318753,52.01851852,36.10783573,30.72042771,16,15,12,6.08,6.8574,0.859640776,13.45665548,4.126271159,0,0,33.42592076,0,5.114159141,0,0,0.50471726,2.17695998,0.50471726,0,0,0,0,0,0,0.003,1.196,1.186,1.681,0.755,24.919,63,67,74,84,90,96,94,97,99,872,4.110873864,4.369447852,4.65396035,4.9698133,5.370638028,5.568344504,5.80814249,5.648974238,5.700443573,5.697093487,7.661527081,2.435779817,0.483870968,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,39,0.722222222,45,0.833333333,2,16,31,0.9375,7,3.555555556,2.0625,1.613333333,1.291666667,0.834285714,0.598958333,0.468631897,0.376875,0.30976431,0.12962963,0.05643739,0.032226563,0.024820513,0.019871795,0.013035714,0.009358724,0.007438602,0.005982143,0.004916894,0.336417431,698.5710075,936.1628282,1397.142015,25.87300028,698.5710075,0.071159461,0.001317768,-14.27129278,1045.863589,19.36784425,37.54403041,78.9,852.42987,6.754887502,5.459585514,6.204557763,6.987490247,7.760040681,8.559294367,9.353834472,10.16880898,10.98218621,11.81124328,185.2870415,4.691347882,0,5.888877958,0,7.23489842,0,8.668539944,0,10.16926905,10.42860062,756.6267904,5.482802829,106.4636922,1.971549856,16.72415686,16.72415686,0,17790,64,19.608,234,1.24611293,2.15942467,2.926436037,3.675975208,4.912459783,5.9354577,7.071671989,8.152524564,9.229171658,10.25337603,95.78827532,107.406406,113.0161806,144.5676448,199.3933466,239.9021794,279.2479544,316.9568322,361.5840205,405.4863054,311.1386663,385.8351238,421.6236248,518.3736367,709.7219492,866.8188701,1014.589287,1178.740185,1337.355844,1494.266335,9.332673861,15.95781814,21.1853265,26.98595022,36.32995522,43.65676056,52.14930274,60.34398215,68.88637237,76.67882966,2.230414862,2.97396932,3.36999603,4.082881562,5.569212283,6.859923823,8.041555718,9.287203796,10.46517145,11.66442381,177.8934921,330.5983931,468.9887752,594.9278936,792.6684924,951.5583217,1138.351044,1311.447833,1487.600077,1651.327075,2.937649948,4.839939577,5.785514777,7.927728867,11.40638641,13.6566421,16.40328373,17.90982584,21.2146951,23.83625309,0.478528346,0.651497702,0.749120337,0.92963254,1.2659887,1.542998465,1.817175316,2.110199444,2.398533679,2.677854201,1459.784518,5417.599428,47.27419651,228.9507723,-849.6894971,-34.05048621,1230.833746,6267.288925,81.32468272,0.864424713,3.208080899,0.027993847,0.135575287,-0.503151383,-0.020163306,2465.189632,9148.891342,79.83360397,386.6372489,-1434.90064,-57.50225771,0.079227813,0.084011622,0.044848942,0.485688789,1572.15055,116.5847406,0.930963283,0.069036717,3831.997218,61.90312769,15.64858458,4670.912243,68.34407248,16.71605928,8366.207646,91.46697571,20.30063143,2.002696859,2.002696859,87459.59216,63961.13732,24292.20376,1.367386445,3.60031527,2.632990318,20.66382894,19.50954302,38.8238814,0.989994402,33.34910154,42.35005187,17.57580861,183.5904227,91.95795754,20.09820882,47.69672553,27.3121804,141.054783,19.20214674,22.92004077,125.1289611,30.60055826,141.6700605,17.71483625,35.69598315,107.6154667,34.22495398,125.2414599,41.07578173,53.11809154,82.25588422,42.59161916,91.51684858,46.65047953,69.90284448,55.84502769,47.8429732,80.59305385,53.58034118,2.822733667,43.19527714,1.371339209,51.72020459,6.599808086,3.407508323,7.322911268,6.397726293,45.13463583,4.566187153,5.662615438,25.18588183,9.566844924,36.90493092,4.397000201,8.153861915,16.6322772,9.273415643,28.64061942,10.51139452,9.289540196,14.41833589,10.06329648,24.60666889,10.35414202,18.98895653,11.63181295,5.066513098,29.70117267,7.714927734,9.043261876,41.55243922,4.084157699,58.57223165,11.55658546,6.007112599,14.19740603,7.033652272,52.13914219,5.706420284,6.533524991,37.16700102,9.345266519,48.3204329,6.015736522,10.48954788,26.23903083,11.77123858,39.90797291,13.61796576,14.746428,21.45356956,13.26558302,30.50590208,12.76085846,24.40946325,15.15914755,10.66616248,32.16428123,12.08932249,31.48626029,43.22719882,17.32154445,172.0704658,83.63368074,19.71463933,46.8738298,27.29023995,138.8391634,19.62916785,22.87210507,122.1453919,31.58201703,139.4497328,17.71924076,34.47082758,104.7217027,33.88601707,122.9995233,40.04133696,50.9756468,80.81101453,41.22276244,91.51003101,45.59725961,67.17153003,55.99359549,45.43047853,82.6401926,52.40550234,13.31709277,40.93057496,5.883021973,68.93956403,18.55224966,7.983227631,18.83445578,8.56528018,60.36727919,6.898618766,7.902620719,47.82749188,10.956187,58.38784705,7.230134111,12.94132922,34.68439052,13.90267359,49.26121479,16.61941299,19.11396113,27.41268198,16.36974765,36.04248971,15.66799842,29.46731195,18.38748525,15.18872431,35.38184079,16.0477513,40.2739032,42.92670772,22.51000098,245.6004213,131.8817889,24.55166222,59.46707517,36.54471549,178.7358443,24.45000939,30.30899009,157.2999631,39.62829174,179.2583416,22.50278144,46.53070021,141.6614576,43.94498996,159.2432678,51.66128425,69.30058521,108.5438236,54.52817214,117.0474463,61.5686255,88.44247386,74.51328645,62.82006966,101.6536391,71.67331123,21.13447831,42.60969576,12.02588604,118.8701384,48.80823587,18.61460533,37.629486,29.15811711,127.5706852,22.30776172,22.3711558,113.7012696,45.15858091,124.4158289,15.80940336,29.23989198,89.52905032,28.19889442,103.5510219,35.27426673,40.72120129,73.18304977,31.72262606,85.03856236,41.87866453,52.72686448,53.58391572,31.13015943,89.24678096,47.93955027,102.1450452,37.40355282,0.87550974,0.727403911,0.266361335,0.433759569,0.329825524,0.442919697,140.4241078,3942.763752,7428.149513,0.591105867,1.20650479,84.04035843,31.78957954,0.524497538,0.722278941,0.273213302,0.294584299,0.240311618,0.157689482,116.3544355,2732.360176,4249.96625,0.583418411,0.692585399,94.17277404,34.88636176,0.623690772,0.726177679,0.269012966,0.369055593,0.287707366,0.224477696,129.6828266,3365.838455,5544.560928,0.589266519,0.881240654,100.3322709,36.85738113,0.87104284,0.726725814,0.266965056,0.418632669,0.320552933,0.438164274,138.0606949,3817.482814,7176.646647,0.590088722,1.177349876,98.21106311,36.12811599,0.682975877,0.727369987,0.267571763,0.401115338,0.307978404,0.269501644,135.022155,3639.931098,6198.275065,0.591054981,0.978595385,102.7704813,37.6091204,0.911821171,0.727365322,0.266181199,0.439072407,0.333429073,0.480415278,141.2914229,3993.108498,7658.686683,0.591047983,1.252916758,100.6515017,36.97752697,0.879862131,0.726678996,0.266968617,0.421304848,0.322656728,0.447047127,138.5088908,3842.93819,7256.156341,0.590018494,1.191008702 +UMLPP0030,L,2-Ethylhexyl (Pyromellitic anhydride),CCCCC(CC)COC(=O)C1=CC(C(=O)OCC(CC)CCCC)=C(C(=O)OCC(CC)CCCC)C=C1C(=O)OCC(CC)CCCC,UML,,-27,0,-2.9446,8.67066916,181.2382,127.01151,6,6,120,50,70,0,42,0,8,0,0,0,0,0,0,0,8177.96157,8635.500626,11495.70605,13592.36302,15079.86008,16579.98623,17040.90263,17196.12319,18227.09146,21694.6982,27757.95944,38854.38945,45781.73748,48665.31972,49911.85123,52165.3027,54818.7934,58502.45507,893.80788,905.180456,1689.233752,2267.933796,2574.944088,2595.756344,2485.77856,2676.556808,2561.452712,153.4023353,199.9983817,295.4923704,353.9145057,366.3332151,369.7087713,385.7369906,405.9400738,427.9434961,19753.20888,17376.88381,35182.04171,49571.21824,55423.67687,55475.76797,51693.36068,55820.8509,52325.03233,429.3333333,304.3333333,551.3333333,673.7777778,877.8888889,1029.611111,1067.944444,1121.111111,967.0555556,68.14967975,71.96250522,50.86595596,43.98822985,44.35252964,48.90851395,52.59537849,49.69977802,54.57213011,180.7891517,231.3163286,171.9220772,148.1609627,143.1332933,147.2325995,161.0040207,158.4358191,175.1570511,7.448399,7.543170467,7.474485628,7.339591573,7.573364965,7.65709836,7.672156049,7.735713318,7.669020096,1.278352794,1.666653181,1.307488365,1.145354387,1.077450633,1.090586346,1.190546267,1.173237207,1.281267952,164.610074,144.8073651,155.6727509,160.4246545,163.0108143,163.6453333,159.5474095,161.331939,156.6617734,3.577777778,2.536111111,2.439528024,2.180510608,2.582026144,3.037200918,3.296124829,3.240205523,2.895375915,1.188261542,-0.682996857,0.113891595,0.368810755,-0.693353665,-0.027392699,0.19438486,0.301793608,-0.072634401,4059.389202,98.1454776,200.6009716,1880.542594,1162.051724,2323.838035,1086.947799,332.2216045,-80.17637677,6001.498465,-214.6699457,-395.8908641,1236.75246,1147.038513,2584.097811,133.6272734,1187.429883,-360.0052158,8.1528132,0.1064176,3.22310834,1.48960221,-1.4818242,5.46249331,5.72160356,2.87357914,-2.36825554,26.8522932,-2.232741644,-2.094200141,-1.272062551,0.506650058,9.267672517,-1.836725779,9.216663736,-3.988272615,149.5063131,-14.34549489,-10.39213617,-18.43349876,-6.288491542,48.73941521,-11.59992605,58.37856957,-27.03956218,157.3296296,-0.792592593,48.86253086,40.26509259,-8.548765432,97.7475,86.02111111,15.41438272,-63.46376543,0.00990218,-0.00569164,5.04E-04,0.001193562,-0.002039275,-8.08E-05,6.00E-04,8.72E-04,-2.17E-04,33.82824335,0.81787898,0.887614918,6.085898363,3.417799187,6.854979454,3.354777158,0.960178048,-0.240049032,50.01248721,-1.788916214,-1.751729487,4.002435145,3.373642684,7.622707407,0.412429856,3.431878275,-1.077859928,0.06794011,8.87E-04,0.014261541,0.004820719,-0.004358306,0.01611355,0.01765927,0.008305142,-0.007090585,0.22376911,-0.01860618,-0.009266372,-0.004116707,0.001490147,0.027338267,-0.005668907,0.026637756,-0.011940936,1.245885942,-0.119545791,-0.045982903,-0.059655336,-0.018495563,0.143774086,-0.035802241,0.16872419,-0.080956773,1.311080247,-0.006604938,0.216205889,0.130307743,-0.025143428,0.288340708,0.265497257,0.044550239,-0.190011274,-0.574786638,0.050892342,0.120535314,-0.205942084,-0.008160266,0.060588002,0.08808524,-0.021961657,0.0241774,0.026238871,0.179905835,0.101033895,0.202640716,0.099170895,0.028383917,-0.007096113,-0.035769391,-0.035025842,0.080028716,0.067456007,0.152416083,0.008246538,0.068620428,-0.021551816,0.013052869,0.209913427,0.070955421,-0.064149241,0.237172851,0.259924075,0.122242104,-0.104365234,-0.083149012,-0.041410418,-0.018397121,0.006659307,0.122171765,-0.025333732,0.119041258,-0.053362754,-0.095952436,-0.036907795,-0.04788186,-0.01484531,0.115399076,-0.028736371,0.135425069,-0.064979281,-0.005037783,0.164906679,0.099389601,-0.019177642,0.219926056,0.202502675,0.033979796,-0.144927265,1.647078098,0.893652755,0.869414831,1.620324948,1.620453908,1.585621361,1.549650085,1.773847189,1.058442253,1.008381096,0.798835874,0.971437735,0.895518534,1.00899827,1.10639104,1.127024237,1.336127464,1.153521894,0.966221648,0.914905105,0.81736904,1.027667836,0.934405055,1.105085612,0.702665877,0.696629328,0.723480075,1.473894459,1.329099838,1.202352576,1.551722003,1.513845023,1.46781439,1.195240429,1.075581162,0.980776677,0.852175723,1.08334942,0.901332399,1.171992963,1.490394515,1.195699485,1.101735417,1.014956101,0.875889297,1.104459649,0.907634106,1.202554932,0.57498411,0.47914826,0.562588665,1.257409544,1.174102269,1.454774385,1.82474557,1.746000454,746.0541046,374.0270523,466.8361972,747.9741046,14.95948209,374.0270523,2,8.60E-16,1.72E-17,-173.4455386,4000404.265,80008.08529,76.0095299,746.236075,374.1150998,466.9467173,748.1504347,14.96300869,374.1150998,1.994124633,3.05E-16,6.11E-18,-178.6259983,4000404.304,80008.08608,76.00952995,907.359565,452.0838046,565.0424901,904.5506439,18.09101288,452.0838046,-3.191955824,1.08E-15,2.16E-17,-172.2976664,4000441.059,80008.82117,76.00957589,746.4270556,374.207507,467.0627106,748.3354957,14.96670991,374.207507,1.987958402,1.28E-15,2.55E-17,-171.4722677,4000404.345,80008.08691,76.00953,1077.959293,534.6504693,669.2635401,1070.339941,21.40679882,534.6504693,-8.658354115,1.08E-15,2.16E-17,-172.2976664,4000482.499,80009.64997,76.00962768,765.1076343,383.2463539,478.4122809,766.4373048,15.3287461,383.2463539,1.385073487,1.44E-15,2.89E-17,-170.8592561,4000408.418,80008.16836,76.00953509,745.8758756,373.5686332,458.2010211,749.0346507,14.98069301,373.5686332,4.471352986,1.39E-15,2.78E-17,-171.0553596,4000432.284,80008.64568,76.00956492,0,11.89,16.00199956,-0.312484234,0.297672033,5.226934132,10.72875702,50,120,113,110,40,7,4,0,0,10,88.02049,3.958455105,3.605190284,3.577647439,3.571809926,3.544236891,3.419705892,3.317550393,3.2722262,1.975508156,1.924537524,1.923901402,1.923692664,1.909689332,1.722463091,1.721753956,1.721512377,3.913020874,3.5774058,3.571508023,3.570078622,3.560291646,3.314457896,3.252782535,3.245797088,2.00280101,1.878200329,1.875917075,1.875230617,1.859519378,1.659339249,1.655085486,1.653938813,3.975920906,3.708354849,3.698953796,3.696616742,3.677691543,3.48448313,3.42766749,3.416681995,1.929753853,1.704901385,1.702664858,1.702025549,1.694131016,1.435418747,1.428853979,1.427462591,3.903014706,3.588503148,3.584982617,3.584071136,3.576838793,3.296291311,3.269567585,3.266447962,2.020121613,1.853011852,1.848135384,1.846767088,1.826500802,1.632066155,1.617216815,1.613967748,3.972518784,3.750733279,3.745980743,3.744690393,3.730219612,3.504707027,3.48449679,3.48082238,1.929151393,1.658407686,1.654634589,1.653627903,1.644201436,1.38371336,1.363327765,1.36026691,5.021491368,4.993857533,4.971185633,4.964917553,3.760390848,3.595769815,3.59495718,3.594563626,1.84647171,1.832055818,1.831631012,1.831512574,1.796172548,1.526111886,1.525466664,1.525285988,0,0,4,2,4,12,16,4,0,0,0,0,0.055555556,0.12830006,0,0,0,0.020833333,0.041666667,2.303636676,0,0.496011291,0,1.271838382,0,0.089779189,0,5.791532281,8.157287812,11.418695,2.715633754,3.010343365,3.033443248,37.31297954,24.13122114,19.01136845,15.40628725,10.97710695,8.86863972,6.558646653,4.211096914,0.746259591,0.482624423,0.306634975,0.202714306,0.124739852,0.080623997,0.052052751,0.030079264,32.87222356,19.99822797,14.0032314,10.01096903,5.952797774,4.006225798,2.266411849,1.029860129,0.657444471,0.399964559,0.225858571,0.131723277,0.067645429,0.036420235,0.017987396,0.007356144,66.68236597,118.7195921,113.1843137,114.8,73.79132335,918.4239581,0.555686383,0.989329934,0.943202614,0.956666667,0.614927695,7.653532984,11.1794,200.796,507.6406829,645.0552304,1015.281366,20.30562732,507.6406829,3.05E-16,6.11E-18,-178.6259983,4000357.881,80007.15762,76.00947193,1444,0,0,8,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,32,0,0,2,0,0,0,0,0,0,0,0,8,0,20,0,0,2,4,0,0,4,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,78.08906526,-0.844184156,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.332918455,0,13.65792231,0,0,1.332918455,0,0,0,0,0,0,0,0,16.71772396,0,16.01819516,0,0,2.55677973,0.685866446,0,0,-2.948579717,-0.452384169,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,54.96953707,23.11952819,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.779882047,-0.737144929,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.666459227,0,0.299400992,0,0,0.666459227,0,0,0,0,0,0,0,0,2.059120764,0,0.188586407,0,0,1.278389865,0.171466611,0,0,-0.737144929,-0.113096042,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.74238427,5.779882047,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.74238427,1.278389865,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.666459227,0,0.735323838,0,0,0.666459227,0,0,0,0,0,0,0,0,2.120310227,0,1.037121146,0,0,1.278389865,0.171466611,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.74238427,5.779882047,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,110.6666667,2.213333333,0.735323838,13.74238427,-0.319199993,-0.737144929,16.3240701,2.403811596,6.742384267,73.61357844,2.403811596,6.742384267,73.61357844,23.66664,0.47333,0,0.02667,0.51778,0.82267,0.43333,0.50741,0.82267,0.08444,0.01037,-0.07407,0,0.57536,0.13893,0,0.22535,0.25352,0,40,0.8,28,0.56,12,0.24,-16,-0.32,0,0,82.83276,1.65666,122.31608,39.48332,0.78967,18.34498,0.3669,24.13115,5.78616,0.11572,0.78285,0.01566,0.86885,0.01738,0.05,50.08,8,8,8,8,0,0,0.761904762,1.244164404,2.290661652,3.423231429,3.923231429,4.128072996,4.26140633,149.2997285,274.8793983,410.7877715,470.7877715,495.3687596,511.3687596,0.180133794,0.331648753,0.495625547,0.568017022,0.597674589,0.616978982,5.662726191,4.616228943,3.483659167,2.983659167,2.778817599,2.645484266,0.178025546,0.327767206,0.48982485,0.561369071,0.590679531,0.60975799,10.98438665,22.608488,25.94835517,27.55148518,28.12433547,29.99066311,182.0070632,108.83389,90.55879742,78.44159971,74.21875238,65.40037746,48.02,29.36940687,18.74792244,11,18,7,5.2,6.0864,2.022337848,18.94994424,11.11247405,0,0,43.38876714,0,16.1583598,0,0,1.009434519,3.534334581,1.009434519,0,0,0,0,0,0,0.003,1.549,1.536,2.049,0.788,22.264,62,76,88,110,126,140,154,174,192,1222,4.060443011,4.412798293,4.838264068,5.251618764,5.766952873,6.115616149,6.430021852,6.446116566,6.635043917,6.754458401,8.328617116,3.387632979,0.473684211,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,32,0.64,40,0.8,2,10,19,0.9,9,5.333333333,2.75,2.844444444,2.5,1.384489796,1.173611111,1.101536911,0.885,0.644424038,0.18,0.086021505,0.037671233,0.036467236,0.029069767,0.015732839,0.013040123,0.011240173,0.00885,0.006575755,0.447731407,431.0147186,546.0360354,862.0294372,17.24058874,431.0147186,1.28E-15,2.55E-17,-171.4722677,4000382.698,80007.65395,76.00950294,105.2,763.597957,6.64385619,5.416100402,6.216606101,7.046647278,7.881937489,8.730528802,9.584452402,10.44688685,11.3139988,12.18709877,178.8242569,4.615120517,0,5.855071922,0,7.284134806,0,8.810012048,0,10.40004182,10.63381009,702.5070692,5.854225577,98.04334505,1.960866901,22.38467984,22.38467984,0,10271,73,13.648,224,1.248452531,2.15301479,2.91016554,3.631844096,4.544806775,5.453360337,6.336611744,7.17256598,8.01482052,8.823827709,100.6340074,118.932075,140.4823054,182.2484238,242.8763978,313.5383574,341.158426,418.9880841,446.138114,466.7610463,312.431282,393.9941746,461.0311582,570.3836127,725.0486098,941.4523373,1065.635971,1330.499783,1422.593321,1501.46568,9.467630655,16.15750637,21.44231029,27.61200744,34.90872212,42.08873605,49.06500634,55.12784679,63.14574877,69.76854873,2.203657558,2.952764318,3.499719272,4.205633879,5.277177766,6.855451603,7.798027324,9.636890221,10.22014425,10.83659344,178.8788923,331.5809054,462.9086707,583.4015596,735.1005037,860.2517953,1013.286374,1111.790775,1259.253659,1396.823077,3.238322256,5.371840338,6.486148864,9.578373528,13.68157456,18.51091006,20.74182977,21.1556959,25.6347969,27.90839291,0.482078924,0.660098365,0.797110106,0.999802934,1.258277008,1.61479105,1.827648187,2.234706735,2.44481628,2.622372816,1064.876438,4023.09037,34.10464294,232.1798305,-877.1726056,-36.85126297,832.6966079,4900.262976,70.95590592,0.820994789,3.101708435,0.026293881,0.179005211,-0.676279531,-0.028411461,1381.20466,5218.174585,44.23564093,301.1503047,-1137.742227,-47.79816166,0.077830471,0.082447122,0.702479382,0.014088003,1172.839659,124.21661,0.904231903,0.095768097,3876.252468,62.25955724,15.70859533,4554.769618,67.48903332,16.57634607,10371.54749,101.8407948,21.80793379,1.958994805,1.958994805,29230.35482,22582.46735,7765.560731,1.29438269,3.764100988,2.908027911,12.41912311,12.27505966,23.19038545,0.889227922,19.73939786,30.99970519,21.85799645,115.2075358,52.8917484,56.42568889,63.58188419,84.99451911,90.3434814,69.768156,78.09396786,106.8548649,104.138664,70.42092819,95.47705283,109.5030616,104.5357529,94.51955332,101.609499,92.9496709,90.17959402,67.16943818,74.58696001,73.63503598,64.59803728,71.07870588,38.46422928,73.22035682,51.15690031,31.74788312,1.722746859,30.30115613,3.229124586,39.3544689,9.40004642,23.79670349,21.95760076,26.83024993,28.44824103,18.18390996,28.22875974,23.3869341,16.73966285,20.67396103,26.44270369,41.18982323,28.20508006,29.5299001,18.85732433,26.38889789,15.88360557,14.37708826,18.04753932,12.65407879,16.73317387,12.2976478,5.910802735,18.83914556,2.645767478,5.550151814,5.371260799,29.26386699,5.141416973,45.71240407,9.135678061,24.23102752,23.75275943,28.08998112,31.26250659,22.09702235,31.03464507,33.2615021,26.42984626,23.69175139,31.13514154,45.22751411,33.73128169,33.05266336,28.4098215,33.68163897,24.93975031,19.97194085,22.85202876,19.21670467,19.74510744,19.76006681,8.472293451,24.11185799,8.362566685,8.971366065,18.65284945,31.45897114,23.39310183,110.3887385,51.49132118,57.04008836,66.29014707,85.6312947,91.3296587,71.74174854,77.15024872,106.0785349,102.6980671,70.26189198,97.13506792,111.1613786,105.0159843,95.27213582,99.82088202,92.32767915,87.48102512,66.21615042,73.79297061,70.51486009,63.20875938,70.39435455,36.2491607,70.59158617,46.93656719,29.46292544,7.885858071,28.94950287,6.570043514,52.48784935,11.6842167,26.69482812,26.14725706,31.91128425,35.37464508,25.83652244,35.42538826,40.86237157,34.83677153,27.64723353,35.82702162,50.01338051,39.56090883,37.67241621,36.01790925,39.71363569,32.36300438,24.6762997,27.52862565,25.1942111,23.53937948,25.27724891,11.49125594,29.27408065,13.47134337,11.89180245,23.83824538,31.98284275,28.98511456,146.3793186,75.10859524,70.53996479,80.80478985,109.1051475,116.8829424,89.97730177,96.9356009,137.8212446,135.9876982,89.50959656,124.4037444,136.9901606,134.8637396,120.9790854,132.5991059,117.2246884,116.419287,87.18565099,96.87074091,96.13936294,84.36855559,92.34288582,51.31927081,93.61625331,69.37535057,40.98302985,12.59587517,29.07578927,24.21347684,80.65847389,44.17641841,60.35353993,73.63737862,94.27518818,80.34211871,80.83058907,70.23824388,97.41147309,95.10131744,70.42462815,91.11356077,117.0340409,101.8012356,86.82197759,84.56679377,89.27068132,63.6992727,59.90741678,59.06207023,54.88324443,62.42817839,52.95533137,30.18921809,52.82902312,24.64793782,17.11695611,40.59571001,13.41486377,1.187569576,0.735454266,0.243031069,0.632399805,0.618648528,0.353039705,55.19814336,608.7272337,1310.659046,0.603181399,1.604088038,31.35325298,10.29509114,0.802649787,0.738575239,0.242517081,0.377363166,0.364680562,0.15564613,42.45099391,356.2136314,657.7476133,0.607862859,0.897689858,36.27853026,11.87432497,0.90137677,0.739559642,0.242065251,0.505059611,0.484913549,0.201633471,49.054232,474.1869228,911.5389958,0.609339463,1.191606631,39.63675028,13.11802562,1.182703098,0.734864718,0.243207986,0.602878375,0.591615353,0.349183837,53.93747899,582.3491424,1251.240082,0.602297077,1.543677565,38.38458052,12.56706461,0.965128928,0.739348336,0.242061739,0.565382679,0.543042733,0.232644908,51.91677406,531.5564101,1049.033527,0.609022504,1.34107032,40.95301593,13.55669822,1.229765487,0.734721892,0.243215371,0.643582152,0.63177687,0.378654286,55.73947964,622.2218435,1360.711969,0.602082838,1.654013308,39.78645565,13.17941446,1.197452223,0.734564534,0.24332729,0.607442718,0.597142082,0.357931253,54.16332233,587.7862878,1269.848279,0.601846802,1.562516053 +UMLPP0031,L,nC9 (NPG),CCCCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCCCC,UML,,-55,0,-3.1046,9.63854116,97.2907,79.214064,0,0,77,29,48,0,25,0,4,0,0,0,0,0,0,0,4679.246101,4907.93482,6190.815768,6263.110782,5883.516037,6277.154576,5790.174235,5252.307018,5307.454034,12945.50538,16641.10644,22853.06037,25040.57709,23775.31471,23114.73538,22830.11762,21423.23154,20508.48899,564.406036,567.740992,1076.728272,1472.053464,1597.623268,1276.79888,1362.019996,1338.49188,1262.08484,93.63673543,122.8419669,180.8170519,207.6843552,197.1757466,185.2072771,185.1223069,179.0708183,168.9140418,12787.71134,11059.41809,22872.09757,32878.05748,36510.75704,28283.60893,29703.75458,30503.57625,28470.40177,234.1180556,174.75,314.6666667,397.5,435.5,386.75,467.1944444,353.25,384.3333333,60.76942988,64.57808974,42.40284773,31.00549892,27.23850017,36.07560101,31.9899129,28.54514684,30.8572909,168.1234465,218.9619268,156.5278108,123.9632529,110.0709014,132.8433068,126.1332465,116.4306062,119.2354011,7.329948519,7.470276211,7.374851178,7.287393386,7.396404019,7.337924598,7.524972354,7.274412391,7.337702558,1.216061499,1.616341669,1.238472958,1.028140372,0.912850679,1.064409639,1.022775176,0.973210969,0.982058383,166.0741733,145.5186591,156.6582026,162.7626608,169.0312826,162.5494766,164.1091413,165.7803057,165.5255917,3.040494228,2.299342105,2.155251142,1.967821782,2.016203704,2.222701149,2.581184776,1.919836957,2.234496124,0.585269036,-0.32483697,0.066932437,0.032510367,-0.093883501,-4.26E-04,0.092567734,-0.125912189,0.066871599,2467.763646,8.808078313,-219.6737963,-215.7577133,256.9900982,358.0265232,-892.4186721,219.9453981,253.2170359,3761.293994,-206.6544115,-867.2586937,-1057.194971,1289.964408,36.65493729,-1006.742763,286.5124219,185.4781304,4.252618805,0.08629292,1.687076343,0.057671602,-0.814818415,0.086938077,-0.083820724,-0.309729093,0.535470513,16.70859066,-1.613455791,-4.190894736,-6.860063574,7.882111952,-1.93873284,-2.242040026,0.618705981,0.214836098,92.41905901,-9.947080649,-22.474729,-41.00308291,46.14714921,-14.25546977,-8.124878368,2.01260353,0.314415792,80.99675325,0.132713967,23.53916484,-1.07842338,-17.73331647,10.05062686,-20.15010612,-3.093432001,24.80938091,0.007600897,-0.004274171,4.58E-04,1.61E-04,-4.35E-04,-2.45E-06,5.11E-04,-6.84E-04,3.89E-04,32.04887852,0.115895767,-1.504615043,-1.068107491,1.189768973,2.057623697,-4.930489901,1.195355424,1.472192069,48.84797395,-2.719136993,-5.940128039,-5.233638472,5.972057443,0.210660559,-5.562114713,1.557132728,1.078361223,0.055228816,0.001135433,0.011555317,2.86E-04,-0.003772307,5.00E-04,-4.63E-04,-0.00168331,0.003113201,0.216994684,-0.021229681,-0.028704758,-0.033960711,0.036491259,-0.011142143,-0.012386961,0.003362533,0.001249047,1.20024752,-0.13088264,-0.1539365,-0.202985559,0.213644209,-0.081927987,-0.044888831,0.010938063,0.001827999,1.051905886,0.001746236,0.161227156,-0.00533873,-0.082098687,0.057762223,-0.111326553,-0.01681213,0.144240587,-0.562324538,0.060314115,0.021174135,-0.057183496,-3.22E-04,0.067284686,-0.09002956,0.05115033,0.003616219,-0.04694751,-0.033327453,0.037123576,0.064202674,-0.153842822,0.037297886,0.045935837,-0.055665297,-0.121604389,-0.107141362,0.122258038,0.004312575,-0.113865822,0.03187712,0.022075864,0.020558709,0.20922624,0.005169457,-0.068303248,0.009046801,-0.008385078,-0.030478841,0.056369137,-0.09783503,-0.132283234,-0.156504805,0.168166604,-0.051347538,-0.05708417,0.015495921,0.005756118,-0.109046374,-0.128253962,-0.169119749,0.178000126,-0.068259243,-0.037399645,0.009113172,0.001523018,0.001660069,0.153271465,-0.005075292,-0.07804756,0.054911969,-0.105833188,-0.015982542,0.137123091,1.621337531,0.953236485,1.00227047,1.448372473,1.397483114,1.269894578,1.134229447,1.155157755,1.196750204,1.126375561,1.037575165,0.990495069,0.96883254,1.270346568,0.945556343,0.968170928,1.463965315,1.283669308,1.134986171,0.771801921,1.030054609,1.103469798,0.935390489,0.947756311,0.715459377,0.694989515,0.937495858,1.57188404,1.061562985,1.671853467,1.058195112,1.127094345,1.580890655,1.325742927,1.191227659,0.709982748,1.093519606,1.048686224,0.947984619,0.960893085,1.600133796,1.325626586,1.204067334,0.708723459,1.113616428,1.044469477,0.954542341,0.968863114,0.582842292,0.487274544,0.824407612,1.233883858,1.162213701,2.271144624,0.906826845,0.979337513,456.242803,228.6214015,348.1295612,457.1738375,15.76461508,228.6214015,1,2.22E-16,7.66E-18,-104.5265948,4000177.798,137937.1654,44.08536317,456.3269653,228.6620138,348.1997013,457.2552647,15.76742292,228.6620138,0.997062316,7.77E-16,2.68E-17,-100.8935822,4000177.775,137937.1647,44.08536315,531.0109759,264.707499,410.955516,529.5250654,18.25948501,264.707499,-1.595977912,1.17E-15,4.02E-17,-99.71773341,4000165.823,137936.7525,44.08535448,456.4152954,228.7046373,348.2733165,457.3407243,15.7703698,228.7046373,0.993979201,1.22E-15,4.21E-17,-99.58282536,4000177.752,137937.1639,44.08536313,610.4026011,303.036712,478.3914871,606.371988,20.9093789,303.036712,-4.329177057,2.28E-15,7.85E-17,-97.77748948,4000161.447,137936.6016,44.08535131,465.0575191,232.8750279,355.4843016,465.7022947,16.05869982,232.8750279,0.692536744,1.28E-15,4.40E-17,-99.45391525,4000175.621,137937.0904,44.08536159,468.9768419,234.7837211,355.6387278,470.5455118,16.2257073,234.7837211,2.30952381,2.78E-16,9.57E-18,-103.8794785,4000179.92,137937.2386,44.0853647,0,11.89,15.99793984,-0.315973859,0.262665783,4.482114944,9.449284515,28,76,74,74,26,2,2,0,0,2,58.221936,3.653470143,3.560889684,3.502806341,3.434981817,3.370749233,3.196866231,3.160799898,2.875274061,1.929134862,1.926658336,1.872485512,1.79414793,1.786517261,1.591929888,1.586003985,1.353283273,3.594640965,3.551191326,3.525559205,3.403055992,3.375721184,3.163064277,3.137706267,2.854562805,1.887440217,1.871420778,1.841568821,1.745474655,1.725553457,1.55279114,1.533101042,1.325328627,3.742298341,3.683236276,3.650677731,3.561021202,3.515593502,3.350987046,3.315105755,3.076643464,1.707811782,1.692825887,1.662515969,1.544470795,1.528647802,1.315932638,1.299929713,1.040027922,3.594605224,3.567347592,3.542628881,3.410963611,3.39214443,3.16528953,3.146233816,2.85838908,1.876634929,1.839055663,1.811780084,1.722389022,1.688069736,1.536154349,1.504350642,1.30474964,3.769784006,3.734170029,3.706712389,3.60420318,3.573889326,3.397821494,3.369310312,3.140530236,1.66863372,1.640238042,1.613813605,1.494130201,1.471707487,1.264930794,1.242744847,0.980569271,5.101828845,5.100724837,3.69259232,3.561690467,3.560600818,3.392607907,3.386236366,3.206809994,1.795604221,1.794408515,1.714751032,1.618676407,1.614023433,1.359218508,1.355345664,1.06168186,0,0,2,0,0,6,16,0,1,0,0,0,0,0,0,0,0,0,0,1.78445705,0.25,0,0,1.324957911,0.25,0,0,2.023603362,2.08195123,2.7876937,0.863590092,0.795436988,0.799646176,21.79683616,13.90901404,11.27189822,7.228780716,4.587760951,3.627336368,2.021555824,1.315189875,0.75161504,0.496750502,0.352246819,0.240959357,0.158198653,0.113354261,0.074872438,0.050584226,19.86091522,12.22227397,9.228221455,5.216695719,3.190617776,2.13616248,1.248349176,0.761558905,0.684859146,0.436509785,0.28838192,0.173889857,0.110021303,0.066755077,0.046235155,0.029290727,40.86306371,75.63073562,71.80784314,72.84,46.08626587,592.0389006,0.530689139,0.982217346,0.932569391,0.945974026,0.598522933,7.688816891,7.3804,120.919,244.1503785,373.840591,488.3007571,16.83795714,244.1503785,6.11E-16,2.11E-17,-101.5929522,4000171.589,137936.9513,44.08535866,976,0,0,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22,2,0,0,0,0,0,0,0,0,0,0,4,0,18,0,0,0,0,0,0,2,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,34.60194945,-0.275865327,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.781506879,1.104493024,0,0,0,0,0,0,0,0,0,0,8.368929608,0,18.22996144,0,0,0,0,0,0,-0.275865327,0,0,-0.341641837,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.80344041,10.79850904,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.399254522,-0.137932664,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.230841308,0.552246512,0,0,0,0,0,0,0,0,0,0,1.967282687,0,0.298652683,0,0,0,0,0,0,-0.137932664,0,0,-0.341641837,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.9017202,5.399254522,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.9017202,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.663125,0.552246512,0,0,0,0,0,0,0,0,0,0,2.217182117,0,1.306295073,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.9017202,5.399254522,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,60.58333333,2.08908046,0.663125,11.9017202,-0.121148214,-0.341641837,12.35741377,1.80459933,4.901720203,28.07262737,1.80459933,4.901720203,28.07262737,13.83332,0.47701,0,0.02299,0.49048,0.80575,0.43034,0.49048,0.80575,0.06014,0,-0.06014,0,0.59201,0.12228,0,0.19277,0.07229,0.03614,18.5,0.63793,15.5,0.53448,3,0.10345,-12.5,-0.43103,0,0,40.37263,1.39216,50.48304,10.11041,0.34863,11.82479,0.40775,13.909,2.08421,0.07187,0.505,0.01741,0.505,0.01741,0,28.04,4,4,4,4,0,0,0.92,1.173609855,1.859238892,3.086984349,3.786684113,4.068625749,4.074413243,90.36795885,143.1613947,237.6977949,291.5746767,313.2841827,313.7298197,0.187274586,0.296681382,0.492594463,0.604246545,0.649236371,0.650159889,5.093176685,4.407547649,3.179802192,2.480102427,2.198160792,2.192373298,0.186719929,0.295802691,0.49113553,0.602456928,0.647313506,0.64823429,10.29675713,18.7318336,22.83624351,24.92750401,25.78267392,24.86199126,106.5332478,73.07414764,60.95226603,49.09726942,44.96275374,48.47816183,29,19.93359375,21.03111111,29,3,10,3.77,3.7799,0.569266302,9.146283116,1.173482316,1.154700538,23.60200019,6.327159954,3.141672406,0.166666667,0.666666667,0,0.125,1.154700538,0.25,0,0,0,0,0,0,0.003,0.814,0.795,0.91,0.099,13.017,32,30,29,32,27,26,26,24,23,306,3.433987204,3.610917913,3.555348061,3.526360525,3.713572067,3.465735903,3.433987204,3.526360525,3.36729583,3.33220451,5.863631176,1.147058824,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22,0.785714286,26,0.928571429,2,12,24,1,5,2,0.875,1.04,0.5,0.326530612,0.3125,0.222222222,0.18,0.115702479,0.178571429,0.0625,0.029166667,0.035862069,0.015625,0.012093726,0.012019231,0.008547009,0.0075,0.005030543,0.389803841,244.1503785,373.840591,488.3007571,16.83795714,244.1503785,6.11E-16,2.11E-17,-101.5929522,4000171.589,137936.9513,44.08535866,52.6,470.8440637,5.857980995,4.795790546,5.501258211,6.267200549,6.996681488,7.770223204,8.514990768,9.294773428,10.05091569,10.83618299,127.0280169,4.043051268,0,5.220355825,0,6.541029999,0,7.932003152,0,9.368796058,9.64614068,412.35526,5.355263117,56.04760388,1.932675996,10.93825787,10.93825787,0,3372,30,9.794,120,1.247342105,2.149566682,2.895484295,3.596327834,4.90323266,5.809980098,6.874702609,8.027577322,9.187111459,10.33566254,92.02381802,100.6710787,102.0749393,120.7129021,197.7007425,212.9986419,225.289718,277.508204,310.6314206,352.4651622,298.6649997,359.9311487,388.1364814,457.5828831,703.2584697,799.5684083,875.1795856,1034.160987,1183.961259,1329.007703,9.367385719,15.93034784,21.17089729,26.72551102,36.14129413,43.79871236,50.34684368,59.2337807,68.24688175,76.99349206,2.150423869,2.796520425,3.13820448,3.666851002,5.515515924,6.342325159,7.121598501,8.325575922,9.496043847,10.61907409,179.4215706,333.212464,467.8533451,595.829159,789.2662944,941.6445641,1126.908279,1315.679449,1507.110054,1697.895333,2.938360746,4.803405794,5.802865373,7.438394273,11.10348307,15.00980389,13.71671906,18.22270937,20.24774793,23.69595807,0.466358092,0.621571578,0.71420693,0.847301664,1.261560356,1.472428341,1.627314817,1.921299141,2.206556408,2.480730877,957.9428422,2044.898817,28.81671048,275.7625072,-588.6639579,-29.77318243,682.180335,2633.562775,58.58989291,0.7764762,1.657526101,0.023357855,0.2235238,-0.477151176,-0.024133139,1181.819209,2522.80261,35.55132987,340.2096804,-726.2378739,-36.73133444,0.122486278,0.147551043,0.508467731,0.277337688,1160.912439,72.79291072,0.940996519,0.059003481,2041.111149,45.17865812,12.68495366,2506.088881,50.06085178,13.58309766,4098.832162,64.02212244,16.00368686,5.792919358,5.792919358,27652.42222,27459.85152,364.0546656,1.007012809,75.9567857,75.42782476,9.963619254,15.21384842,30.40736389,0.998663524,13.41367868,21.86522217,10.12420379,95.26809776,29.19949175,14.40557192,28.33445728,21.24434422,70.51325779,14.35242325,14.88709369,50.97382205,19.50339098,46.49789181,5.668860511,25.17297024,24.03575727,28.10711283,17.35015619,12.69698804,36.92461504,8.889161464,38.58367522,2.503687174,11.00811473,34.81862202,7.883472375,34.05083236,0.445389418,14.63967057,1.158732143,22.16663922,0.848791417,26.88711288,0.55464459,3.99710611,7.372620528,1.53680265,17.21248009,0.80151519,8.539514701,4.571915419,6.379828226,9.8337915,0.21834352,10.78197315,2.33426345,7.305102564,4.607360348,1.180271043,13.32442836,0.969620722,8.525633645,0.085124921,2.807075791,9.699197744,0.337172266,7.953443969,0.017915148,5.40519843,3.645693732,21.60450945,2.22584014,31.01404339,2.40208041,5.22758839,9.740019273,3.832215876,23.22804423,2.335238724,7.880356106,11.56291276,5.718700944,14.61541916,0.748299327,11.22977373,4.165382263,8.207871613,5.923365746,2.268720831,15.56001931,1.143871166,10.76001294,0.351337683,3.729947946,13.3543687,1.290904415,9.490810486,0.07064187,7.084331832,12.67164868,22.16629372,10.49860025,91.82368834,26.42909228,13.75056144,29.05516245,19.7160285,68.79029129,14.28868708,14.90921749,47.79497181,20.43431742,44.61654021,5.12915576,26.39414198,22.86036778,29.0321579,17.32509195,11.54576647,37.63751065,8.286004237,40.27228569,2.276207435,10.44989103,34.07507991,7.213963593,34.57909844,0.407005693,14.00532515,5.357918299,21.3909508,3.042358436,36.13136866,4.785099886,6.353001696,11.43679361,5.890084702,28.30561859,3.449288948,8.094371727,17.12912707,6.113234051,18.51364344,1.285090751,11.94439003,6.08450513,9.431161376,7.046974789,3.390748366,17.54523974,1.693174632,12.6605434,0.601676423,4.533781062,16.11152096,2.11979379,11.21574909,0.117089523,8.298296048,16.19900567,22.05640244,13.39081685,126.4960542,42.49632797,17.90796706,36.11014692,28.53472465,90.0733791,19.84250738,18.2734438,65.0469508,26.289766,59.01848007,7.901358281,31.299125,32.84952785,37.0261245,22.00771815,17.46747281,45.12263013,12.73928867,51.02610532,3.439852089,14.20443775,42.63448521,10.59799675,45.1849432,0.601381984,17.0802379,8.800642763,21.41917487,8.42447396,75.42370862,14.23454875,10.31869862,28.48978909,13.2418465,61.72770793,14.91998773,13.46475105,32.5639256,26.73248642,36.71957875,2.57089127,27.35293812,19.65844799,30.35709587,19.66587026,6.036003768,37.96019216,7.426836967,43.04580067,1.173167212,6.822355985,32.39983885,3.867946625,33.52034252,0.239741771,10.28227842,79.33895329,1.012442748,0.666813666,0.979273099,0.012496484,0.540561186,0.526965738,0.433408495,81.0182097,133.9055568,268.4863397,0.968909648,1.500935418,66.38883986,0.703446317,0.20788418,0.986458719,0.010452371,0.378496706,0.254391174,0.042124166,67.30017036,60.64840977,137.6569761,0.979688079,0.675012046,74.4510662,0.752974481,0.39558533,0.984807335,0.009960029,0.476007472,0.291475421,0.152534749,75.59962601,85.80936819,183.5854101,0.977211002,0.920017641,77.82600062,1.019932888,0.643106361,0.979078383,0.012831113,0.520141317,0.53479165,0.403138288,79.48903987,130.083619,260.6207039,0.968617574,1.458071254,77.50407245,0.798666596,0.485146917,0.983705445,0.010136921,0.515847074,0.327923431,0.229421961,78.78788596,99.88824618,208.7066845,0.975558168,1.073192466,79.57673444,1.05255449,0.698869901,0.978464723,0.012942067,0.543806196,0.569548368,0.476081284,81.32815883,140.1082323,279.9729297,0.967697085,1.589435849,78.12312539,1.034724079,0.648136439,0.978913104,0.012965495,0.524120499,0.550415335,0.409469268,79.80598591,132.1409656,264.3396303,0.968369656,1.484005102 +UMLPP0032,L,nC8 (NPG),CCCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCCC,UML,,-33,0,-2.5286,6.39381796,91.4675,73.026892,0,0,71,27,44,0,23,0,4,0,0,0,0,0,0,0,4386.653603,4570.978226,5803.398694,5869.597324,5490.002579,5883.641118,5396.660777,4858.79356,4913.940576,11974.1366,15335.12617,21025.96615,23026.9804,21761.71802,21101.13869,20816.52093,19409.63485,18494.8923,522.451148,524.189432,991.269256,1346.283664,1471.853468,1151.02908,1236.250196,1212.72208,1136.31504,86.28048381,112.8099896,165.4416716,189.6412975,179.1326889,167.1642194,167.0792492,161.0277606,150.8709841,11794.45202,10193.33919,21023.69317,29920.14717,33552.84673,25325.69862,26745.84427,27545.66594,25512.49146,225.6180556,164.25,296.1666667,373,411,362.25,442.6944444,328.75,360,61.78385356,65.29968894,43.30894548,31.89998546,27.72728575,37.71564819,33.10834833,29.26984072,31.90870504,168.6498113,219.073231,156.9101952,125.1466326,109.9076668,135.2637096,127.7087174,116.9255111,120.0967033,7.358466873,7.488420457,7.397531761,7.316759043,7.433603374,7.378391538,7.584357031,7.305554699,7.378669091,1.215218082,1.611571281,1.23463934,1.030659225,0.90471055,1.071565509,1.025026069,0.97004675,0.979681715,166.1190426,145.6191313,156.8932326,162.6094955,169.4588219,162.3442219,164.0849341,165.9377466,165.665529,3.177719092,2.346428571,2.210199005,2.027173913,2.075757576,2.322115385,2.715916837,1.980421687,2.337662338,0.576783362,-0.32483697,0.071175255,0.032509861,-0.093892542,-5.31E-04,0.091849795,-0.127665766,0.076353906,2303.302487,9.112467542,-136.3429864,-232.2738578,254.0405977,338.7825062,-917.7009695,213.3875205,242.6688413,3460.351243,-205.7508094,-713.1109387,-1064.882617,1296.375004,28.09013262,-1015.098564,286.3139155,183.6224848,4.202138366,0.078454681,1.679154971,-0.003726921,-0.917415106,0.010777224,-0.217977376,-0.367706265,0.460302473,15.36667364,-1.613887977,-3.521713884,-6.85832885,7.878333299,-1.936917805,-2.241176889,0.617895673,0.214339739,85.12690038,-9.961234713,-18.88698488,-40.95806072,46.01907344,-14.20987662,-8.115631293,1.980570834,0.289759376,80.27758216,-0.068077873,23.44735668,-2.202740307,-19.24299907,8.421204457,-23.188029,-4.131389275,23.53837422,0.008123709,-0.004640528,5.31E-04,1.77E-04,-4.74E-04,-3.41E-06,5.63E-04,-7.69E-04,4.96E-04,32.44088011,0.130178108,-1.017484973,-1.262357923,1.283033322,2.171682732,-5.630067298,1.285466991,1.575771697,48.73734145,-2.939297277,-5.321723423,-5.787405529,6.547348508,0.180064953,-6.22759855,1.724782623,1.192353797,0.059185047,0.001120781,0.012531007,-2.03E-05,-0.00463341,6.91E-05,-0.001337285,-0.002215098,0.002988977,0.216432023,-0.023055543,-0.026281447,-0.037273526,0.039789562,-0.01241614,-0.013749551,0.003722263,0.001391816,1.198970428,-0.142303353,-0.140947648,-0.222598156,0.232419563,-0.091088953,-0.049789149,0.01193115,0.001881554,1.130670171,-9.73E-04,0.174980274,-0.011971415,-0.097186864,0.05398208,-0.142257847,-0.024887887,0.152846586,-0.571232667,0.065383755,0.021749181,-0.058372935,-4.19E-04,0.069364332,-0.094669916,0.061031798,0.00401278,-0.031364284,-0.038912567,0.039549893,0.066942781,-0.173548538,0.039624911,0.048573642,-0.060308937,-0.10919191,-0.118746845,0.134339468,0.003694599,-0.127778791,0.035389346,0.024464892,0.018936897,0.211725897,-3.42E-04,-0.078286828,0.001167267,-0.022594972,-0.037426649,0.050502234,-0.10652556,-0.121430491,-0.172218167,0.18384323,-0.057367388,-0.063528268,0.017198301,0.006430733,-0.118687959,-0.117557235,-0.185657753,0.193849287,-0.075972643,-0.041526586,0.009951163,0.001569308,-8.60E-04,0.154758017,-0.010587893,-0.085955097,0.047743437,-0.125817281,-0.022011624,0.135182293,1.623122657,0.947623583,1.011570758,1.461114826,1.437072271,1.29949319,1.157763178,1.180113025,1.177077108,1.101236504,1.044076158,0.991966331,0.972034179,1.301744796,0.945611936,0.971512416,1.461166444,1.264296467,1.148454207,0.750935837,1.03346186,1.11498324,0.928278154,0.941466861,0.71276663,0.694031719,0.950753619,1.590397344,1.09354452,1.720757849,1.083797197,1.163118206,1.587956303,1.309757994,1.210037956,0.683058999,1.103952794,1.053716244,0.94186668,0.955718927,1.608763314,1.310077546,1.224065915,0.682298572,1.126783059,1.049436199,0.949672043,0.96528997,0.581835328,0.486870473,0.836333278,1.246490402,1.199081309,2.338304677,0.928843928,1.009871917,388.4272647,194.7136323,295.8131958,389.3531906,14.42048854,194.7136323,1,9.99E-16,3.70E-17,-93.25685518,4000151.932,148153.7753,41.04497583,388.5056245,194.7513434,295.8780812,389.4288304,14.42329001,194.7513434,0.997062316,9.99E-16,3.70E-17,-93.25685518,4000151.915,148153.7746,41.04497582,458.0660579,228.23504,353.9331247,456.5883006,16.9106778,228.23504,-1.595977912,1.22E-15,4.52E-17,-92.7150443,4000143.236,148153.4532,41.04496996,388.5878649,194.7909221,295.9461814,389.508216,14.42623022,194.7909221,0.993979201,1.67E-16,6.17E-18,-98.09460575,4000151.897,148153.774,41.04497581,532.0399274,263.8553752,416.2888019,528.0314301,19.55671963,263.8553752,-4.329177057,1.33E-15,4.93E-17,-92.48011358,4000140.577,148153.3547,41.04496817,396.6347182,198.6636275,302.6171164,397.2759559,14.71392429,198.6636275,0.692536744,3.33E-16,1.23E-17,-96.22310836,4000150.293,148153.7146,41.04497473,399.6569202,200.1422264,302.5094875,401.2117794,14.85969553,200.1422264,2.308143547,1.39E-15,5.14E-17,-92.3698942,4000152.679,148153.8029,41.04497634,0,11.89,15.99793782,-0.315973859,0.262650664,4.479620514,9.448055366,26,70,68,68,24,2,2,0,0,2,53.849108,3.653339705,3.558031775,3.491209454,3.407656196,3.343369334,3.126588591,3.091343196,2.759367148,1.921707967,1.918031751,1.869675663,1.761600234,1.754223969,1.527340133,1.52068015,1.268146853,3.593624241,3.542555093,3.514196722,3.368435918,3.339182186,3.088613748,3.061201486,2.740456713,1.884666683,1.863646797,1.833598958,1.716156509,1.694971607,1.494853413,1.472877528,1.248337856,3.741862844,3.677256807,3.639277717,3.533527033,3.485515625,3.28820849,3.251768913,2.978770795,1.704081197,1.683386294,1.654359033,1.508845731,1.492040271,1.244678897,1.226387413,0.94160325,3.59253582,3.557613733,3.532246939,3.373574145,3.353350859,3.088186746,3.066738663,2.745034151,1.875793508,1.832500995,1.801634431,1.696286365,1.659283951,1.481309518,1.447876494,1.224741978,3.76865198,3.726613586,3.69620878,3.574514219,3.541945536,3.335790805,3.305247672,3.04964931,1.666794991,1.631300643,1.603528415,1.459756268,1.435689424,1.194244827,1.16964889,0.877815933,5.084725721,5.083591837,3.687005708,3.546706986,3.545340346,3.346106025,3.335994714,3.178972762,1.787351687,1.785445429,1.717151969,1.575851,1.571411429,1.275093247,1.27034028,0.952514235,0,0,2,0,0,6,14,0,1,0,0,0,0,0,0,0,0,0,0,1.78445705,0.25,0,0,1.324957911,0.25,0,0,2.023603362,2.08195123,2.7876937,0.863590092,0.795436988,0.799646176,20.3826226,12.90901404,10.56479144,6.728780716,4.23420756,3.377336368,1.844779129,1.190189875,0.754911948,0.49650054,0.352159715,0.240313597,0.156822502,0.112577879,0.073791165,0.049591245,18.44670166,11.22227397,8.521114673,4.716695719,2.837064385,1.88616248,1.071572481,0.636558905,0.683211173,0.431625922,0.284037156,0.168453419,0.105076459,0.062872083,0.042862899,0.026523288,37.7794081,69.85506191,66.35686275,67.32,42.48915689,545.9823904,0.532104339,0.983874111,0.934603701,0.948169014,0.598438829,7.689892823,6.6002,111.685,209.2750399,319.7526007,418.5500797,15.5018548,209.2750399,7.77E-16,2.88E-17,-93.93540414,4000147.296,148153.6036,41.0449727,830,0,0,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20,2,0,0,0,0,0,0,0,0,0,0,4,0,16,0,0,0,0,0,0,2,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,34.41756773,-0.283384617,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.319824264,1.104493024,0,0,0,0,0,0,0,0,0,0,8.321632839,0,15.46722792,0,0,0,0,0,0,-0.283384617,0,0,-0.339710541,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.67228745,10.74528028,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.372640141,-0.141692309,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.236682384,0.552246512,0,0,0,0,0,0,0,0,0,0,1.961365527,0,0.297585115,0,0,0,0,0,0,-0.141692309,0,0,-0.339710541,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83614373,5.372640141,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83614373,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.663125,0.552246512,0,0,0,0,0,0,0,0,0,0,2.199450892,0,1.274021028,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83614373,5.372640141,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,57.58333333,2.132716049,0.663125,11.83614373,-0.108439307,-0.339710541,11.00687739,1.808358975,4.836143726,27.63293904,1.808358975,4.836143726,27.63293904,12.83332,0.47531,0,0.02469,0.49531,0.81358,0.43012,0.49531,0.81358,0.06518,0,-0.06518,0,0.58422,0.13007,0,0.20779,0.07792,0.03896,17.5,0.64815,14.5,0.53704,3,0.11111,-11.5,-0.42593,0,0,36.46203,1.35045,46.31674,9.85472,0.36499,10.82479,0.40092,12.909,2.08421,0.07719,0.505,0.0187,0.505,0.0187,0,26.04,4,4,4,4,0,0,0.913043478,1.188382102,1.907007102,3.177090077,3.881866133,4.061876261,4.004359529,84.37512928,135.3975043,225.5733955,275.6124955,288.3932145,284.3095266,0.193240808,0.310095206,0.516621255,0.6312237,0.660494843,0.651142145,4.961365017,4.242740017,2.972657043,2.267880986,2.087870859,2.14538759,0.192608841,0.309081083,0.514931717,0.629159371,0.658334787,0.649012675,10.49208545,19.34065106,23.56526715,25.51411302,25.46178933,25.40382253,99.0018331,66.02907795,54.14900763,43.67570186,43.23809798,43.81752202,27,18.05555556,19.10204082,27,3,9,3.55,3.4981,0.609239856,8.78786173,1.229576306,1.206045378,19.85586061,6.077790232,3.029831733,0.166666667,0.666666667,0,0.125,1.154700538,0.25,0,0,0,0,0,0,0.003,0.814,0.795,0.91,0.099,12.019,30,28,27,30,25,24,24,22,19,282,3.36729583,3.555348061,3.496507561,3.465735903,3.663561646,3.401197382,3.36729583,3.465735903,3.295836866,3.091042453,5.786897381,1.15248227,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20,0.769230769,24,0.923076923,2,11,22,1,5,2,0.875,1.04,0.5,0.326530612,0.3125,0.222222222,0.14,0.115702479,0.192307692,0.066666667,0.03125,0.038518519,0.016666667,0.013061224,0.013020833,0.009259259,0.006363636,0.006089604,0.414403561,209.2750399,319.7526007,418.5500797,15.5018548,209.2750399,7.77E-16,2.88E-17,-93.93540414,4000147.296,148153.6036,41.0449727,52.6,436.2520945,5.754887502,4.727387819,5.433722004,6.204557763,6.936342736,7.714677474,8.46231453,9.246575865,10.00572821,10.79497317,122.5262796,3.970291914,0,5.153291594,0,6.481577129,0,7.880426344,0,9.324829098,9.599676098,384.3239599,5.41301352,52.04772476,1.92769351,10.93638699,10.93638699,0,2692,28,8.656,112,1.247142857,2.148548488,2.89721776,3.593671867,4.896498645,5.790690711,6.827980046,7.981945333,9.1200731,10.26983623,92.86401287,102.7386946,104.4927797,122.3038374,205.4993338,219.2151602,229.7821298,285.3192255,319.7825549,330.6176629,298.5385726,360.7677267,391.0966256,455.2593441,713.1495456,804.8510913,873.6771657,1035.148988,1186.586338,1340.706669,9.389502933,15.97469639,21.26904342,26.83281657,36.29466153,43.99334728,50.25219078,59.25636758,68.26183352,77.12452474,2.142567506,2.787422943,3.143125107,3.624244256,5.533805447,6.321992466,7.051312702,8.249667953,9.40569263,10.76775274,179.5446025,333.5354024,467.7515991,597.2737651,787.4617833,938.8311698,1120.302299,1309.697673,1497.488482,1684.702716,2.996913095,4.929010188,5.977707811,7.63877377,11.58083654,15.73335406,14.09836663,18.98702014,21.56097955,23.34223749,0.466590857,0.622552245,0.719778346,0.844499202,1.275494234,1.481569933,1.624129371,1.922171939,2.20976079,2.495708456,840.3162791,1704.420986,25.93837922,247.4399041,-501.8845592,-28.80071055,592.876375,2206.305545,54.73908977,0.772522641,1.566914546,0.023845766,0.227477359,-0.461394352,-0.026477175,914.0592285,1853.994467,28.21463237,269.1542856,-545.9280326,-31.32815098,0.128909691,0.155288901,0.583781178,0.344951223,1010.484932,77.27125104,0.92896271,0.07103729,1916.948011,43.78296485,12.42234095,2343.177599,48.40637973,13.28215066,3855.230788,62.09050481,15.6801469,5.573472229,5.573472229,21598.7052,21432.11622,331.4144806,1.007772867,65.17127784,64.66861731,9.355820416,13.98744876,27.97458751,0.999977836,12.29807647,19.96818755,9.531538775,85.32234223,25.24979245,14.40554064,26.74583113,20.96828927,61.78446071,14.29079974,14.88628154,41.87536966,19.28231381,34.56781859,5.668724149,25.16880604,17.92354773,29.14975705,6.400354178,13.65993852,34.01302847,8.719499647,34.93514685,5.479870006,12.68235961,22.64336095,10.79014441,28.01164114,2.495604899,17.10107017,1.06510738,20.26968881,0.804557552,24.86032768,0.526511902,3.997075085,7.127502394,1.534857661,15.05457578,0.801081116,8.538702549,3.947188979,6.37827116,7.534519572,0.218342559,10.77789459,2.130198247,7.436184165,2.23424117,1.442981004,13.00727146,0.151659197,8.096758172,0.103405471,2.764280133,7.572537045,0.724323549,6.221710144,0.018821648,5.470222981,3.343461584,19.70755326,2.079420827,28.45163348,2.111386475,5.227557348,9.220692832,3.811953179,20.23882921,2.330715767,7.879543953,9.479801408,5.702475129,10.84092927,0.748289317,11.22568903,3.309035508,8.446287114,1.993725754,2.765788073,14.80152167,0.769673243,10.06852105,0.568605919,3.802257306,9.163344154,2.446307874,7.431364964,0.186352005,7.106286058,11.6186112,20.26926829,9.942962934,82.74507985,22.90976467,13.75053018,27.54879562,19.47006802,60.64416248,14.23378161,14.90840534,39.31124586,20.23734164,33.44962776,5.129034264,26.38998702,17.30573015,30.35336001,6.294396735,13.03481185,34.61379288,8.024219402,35.58058962,4.927063019,11.72755482,22.51030652,10.05623652,28.9987205,2.224394279,16.78463821,4.91248372,19.49398726,2.82289376,32.88035551,4.154448054,6.352970632,10.72922276,5.846073165,24.59432053,3.439464616,8.093559574,13.96433059,6.077989415,13.5807833,1.28506901,11.94029774,4.615983537,9.674799581,2.162229868,3.885493816,16.5340164,1.47156094,12.02038906,1.07567884,4.80778157,10.50730369,3.727171033,8.767578436,0.401725382,8.283174561,14.85175444,20.15932922,12.65713418,112.90551,36.73708899,17.90793566,34.21693934,28.13212677,78.98238974,19.75263547,18.27263165,53.56347521,25.96734573,44.06569027,7.901159413,31.29492197,24.45047403,38.50341152,8.607840903,18.5708427,41.39503107,12.65608299,45.62265348,7.780644719,16.61712898,28.20417734,13.64109841,37.22543585,3.635560852,21.16383289,8.059198408,19.53737422,8.010647997,69.82498915,12.54315498,10.22486507,27.25275871,13.01234983,56.17618522,14.75999438,13.34162257,27.26212022,26.40208085,29.51408795,2.547465752,27.10061478,16.72532117,33.03111367,8.452180359,10.49768172,36.33121016,4.161720644,34.4631843,2.492866131,6.839782089,25.09961231,6.393098139,29.81132159,0.991778331,12.28328114,67.0954942,0.979172555,0.676637582,0.975915946,0.01424224,0.537559242,0.528876096,0.426217843,68.75130434,111.7599444,224.9650295,0.963873919,1.492653181,55.55484313,0.671220274,0.21439007,0.984308944,0.011892539,0.368539043,0.248521571,0.042788664,56.44045348,49.34384667,113.7788066,0.976463415,0.659849278,62.68436016,0.722305346,0.404185684,0.982346403,0.011319475,0.469200015,0.287790948,0.152083203,63.81085119,70.90531494,153.0165818,0.973519605,0.909074166,65.74107971,0.985539505,0.651641856,0.975701638,0.014626966,0.516075555,0.535776363,0.39530958,67.37826107,108.2722891,217.8707069,0.963552457,1.447161497,65.41859673,0.768346538,0.495176776,0.981051543,0.011522527,0.511024907,0.325648979,0.228265318,66.68212004,83.03838952,174.6101505,0.971577314,1.064939205,67.31448297,1.018651598,0.708556621,0.974983113,0.014754152,0.541073981,0.572383125,0.46737827,69.04169119,116.9879006,234.6153233,0.962474669,1.580835376,66.01761493,0.999852741,0.65690762,0.975518646,0.014774466,0.520426358,0.551451785,0.4017242,67.67437529,110.0321784,221.0676418,0.963277968,1.473602343 +UMLPP0033,L,Oleic (NPG),CCCCCCCC\C=C/CCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCC\C=C/CCCCCCCC,UML,stereochemistry (Z),-24,0,-3.4506,11.90664036,159.0279,126.044268,0,0,121,45,76,0,41,0,4,0,0,0,0,0,0,0,7015.921829,7555.15922,9189.2314,9300.136846,8918.509973,9312.148512,8825.168171,8287.300954,8342.44797,20592.12066,26630.00212,36427.58625,39796.28526,38468.85539,37808.27606,37523.6583,36116.77222,35202.02967,873.171284,887.682944,1676.585488,2327.212312,2439.345188,2118.5208,2203.741916,2180.2138,2103.80676,150.7082968,198.6436076,293.1332881,336.8958818,325.4980474,313.5295779,313.4446077,307.3931191,297.2363426,19994.1153,17375.55913,35694.68177,52727.51245,55990.37671,47763.2286,49183.37424,49983.19592,47950.02144,305.1180556,261.25,458.6666667,581.5,617.5,568.75,649.1944444,535.25,567,57.98282503,62.95966017,39.95318,28.70412607,26.54318444,31.67397453,29.31949558,27.2608584,28.57002729,170.1828153,221.9166844,158.3808098,122.8280409,114.490641,128.5995784,124.6633166,118.8051718,120.5548961,7.216291603,7.397357867,7.289502122,7.182754049,7.259955917,7.205853061,7.321401714,7.171755921,7.204817671,1.245523114,1.655363396,1.274492557,1.039802104,0.968744189,1.066427136,1.041344212,1.011161576,1.01793268,165.2406223,144.7963261,155.1942685,162.739236,166.6380259,162.4599612,163.3999144,164.4184076,164.2124022,2.521636823,2.177083333,1.994202899,1.794753086,1.837797619,1.93452381,2.156792174,1.760690789,1.941780822,0.674463573,-0.324598196,0.021343588,0.031916837,-0.092801677,0.001023378,0.09737743,-0.121458812,0.028653066,3703.867011,8.113678732,-818.7524336,-172.5503634,234.9457756,370.9042515,-866.0682948,205.0997461,246.8829498,6053.839421,-205.4133803,-1962.894977,-1034.61132,1273.904464,0.001854214,-1043.105643,261.3582284,158.0419496,4.561782876,0.116696387,1.656019525,0.264915869,-0.455288747,0.32573126,0.38570468,-0.138388052,0.769559869,26.9846034,-1.57771776,-8.965874825,-6.812145426,8.152397528,-2.138554991,-2.361882528,0.638188198,0.206606657,148.319755,-9.684400348,-48.1518391,-40.73958573,48.40080993,-15.28902721,-8.472590616,2.437982476,0.588098525,86.66069789,0.901236254,21.58538143,0.831753865,-14.73273683,13.19494342,-12.41289539,-1.802841526,27.98903669,0.005574079,-0.002704985,9.28E-05,9.85E-05,-2.76E-04,3.48E-06,3.24E-04,-4.00E-04,9.81E-05,30.61047116,0.067613989,-3.55979319,-0.53256285,0.69924338,1.261579087,-2.877303305,0.674670217,0.845489554,50.03173076,-1.711778169,-8.534325986,-3.193244814,3.791382334,6.31E-06,-3.465467254,0.859731014,0.541239553,0.037700685,9.72E-04,0.007200085,8.18E-04,-0.001355026,0.001107929,0.001281411,-4.55E-04,0.002635479,0.223013251,-0.013147648,-0.038982064,-0.02102514,0.024263088,-0.007273997,-0.007846786,0.002099303,7.08E-04,1.225783099,-0.080703336,-0.209355822,-0.125739462,0.14405003,-0.052003494,-0.028148142,0.008019679,0.002014036,0.716204115,0.007510302,0.093849484,0.002567142,-0.043847431,0.04488076,-0.041238855,-0.0059304,0.095852865,-0.485279255,0.016648169,0.017672651,-0.049549972,6.24E-04,0.058038835,-0.071677412,0.017604152,0.002208852,-0.116293316,-0.017398061,0.022843274,0.041213972,-0.093997354,0.022040504,0.027620926,-0.034213851,-0.170578268,-0.063824392,0.075779556,1.26E-07,-0.069265388,0.017183715,0.010817926,0.025794489,0.190980214,0.021687711,-0.035941682,0.029387515,0.033989061,-0.012074684,0.069905335,-0.05895456,-0.174797077,-0.094277538,0.10879662,-0.032616881,-0.035185289,0.009413357,0.003172713,-0.065838186,-0.17079353,-0.102578884,0.117516737,-0.042424711,-0.022963395,0.006542495,0.001643061,0.010486259,0.131037343,0.003584371,-0.061221976,0.062664761,-0.057579752,-0.008280321,0.133834564,1.576596242,1.015114892,0.993704425,1.407720564,1.284001298,1.191615835,1.085510458,1.111645633,1.254964274,1.229689358,1.019491235,0.996721618,0.976765772,1.168490108,0.963341216,0.976065062,1.430197786,1.342639539,1.079826786,0.858612435,1.023048714,1.066065164,0.966427054,0.975578131,0.739754629,0.72531916,0.914244237,1.539377142,0.984192714,1.53782259,1.000217313,1.037049111,1.501018719,1.367614372,1.112869359,0.819187215,1.058974944,1.032852844,0.973188165,0.982527754,1.513079882,1.36635862,1.120803752,0.816840871,1.069682251,1.029377133,0.975808933,0.98561563,0.608214965,0.531725583,0.818343397,1.228278273,1.08102029,2.079845515,0.873763365,0.914545335,1168.231209,584.6156044,903.8340415,1169.186764,25.9819281,584.6156044,1,3.61E-16,8.02E-18,-160.0116551,4000436.021,88898.57825,68.40861263,1168.361525,584.6792935,903.9463909,1169.314273,25.98476162,584.6792935,0.997062316,7.22E-16,1.60E-17,-156.8924928,4000435.946,88898.57657,68.40861255,1283.774593,641.0893078,1004.228706,1282.249548,28.4944344,641.0893078,-1.595977912,1.69E-15,3.76E-17,-153.0549948,4000390.611,88897.56914,68.40856155,1168.498293,584.7461361,904.0643056,1169.448095,25.98773545,584.7461361,0.993979201,6.11E-16,1.36E-17,-157.6442361,4000435.866,88898.57481,68.40861246,1406.142325,700.9065739,1111.856355,1402.005556,31.15567902,700.9065739,-4.329177057,1.19E-15,2.65E-17,-154.6285267,4000367.3,88897.05111,68.40853533,1181.876034,591.2842853,915.6098154,1182.537791,26.27861758,591.2842853,0.692536744,3.05E-16,6.78E-18,-160.7633985,4000428.513,88898.41141,68.40860419,1215.360625,607.8828632,938.3824167,1216.946894,27.04326431,607.8828632,2.039488966,8.88E-16,1.97E-17,-155.9581156,4000440.335,88898.67411,68.40861749,0,11.89,15.99795611,-0.315973859,0.262793755,4.485269111,9.450846947,44,120,116,116,40,4,4,0,0,4,88.831732,3.65394507,3.586462542,3.574704756,3.535437065,3.480794753,3.446504752,3.410239157,3.31492274,1.947195617,1.946669012,1.908218818,1.9044719,1.870322522,1.813717412,1.808870906,1.713137602,3.609304755,3.603776194,3.581491118,3.523653883,3.506416606,3.445515972,3.428186482,3.297310132,1.896983583,1.892580829,1.870443654,1.848271539,1.830054589,1.762174154,1.749842528,1.660082675,3.743978275,3.713216705,3.702712625,3.657070349,3.631681929,3.580596515,3.551868726,3.457458377,1.733610511,1.731861266,1.692219987,1.667368679,1.651607684,1.581701294,1.571017898,1.449566053,3.623027332,3.620971478,3.582963655,3.540097419,3.526129141,3.458814669,3.446354322,3.308003361,1.878688679,1.859163532,1.847612672,1.815021637,1.795368003,1.73457188,1.712970814,1.631867164,3.775763861,3.764587414,3.749149309,3.708812307,3.690397809,3.627982087,3.608581944,3.508508858,1.687005487,1.683302843,1.654990828,1.613824318,1.598086928,1.531987817,1.517301413,1.394650369,5.063702974,5.062531075,3.702263703,3.702161453,3.679948396,3.532255536,3.531927261,3.463741712,1.813060893,1.81264265,1.781360154,1.779821512,1.722775759,1.637543911,1.635191286,1.541901334,0,0,2,4,0,6,28,0,1,0,0,0,0,0,0,0,0,0,0,1.78445705,0.25,0,0,1.324957911,0.25,0,0,2.023603362,2.08195123,2.7876937,0.863590092,0.795436988,0.799646176,33.11054466,21.90901404,16.92875247,11.22878072,7.416188076,5.627336368,3.435769386,2.315189875,0.735789881,0.497932137,0.352682343,0.244103929,0.164804179,0.117236174,0.079901614,0.055123568,30.65559767,19.5219338,14.15415816,8.5331923,5.417883868,3.627744104,2.244131092,1.424016384,0.681235504,0.443680314,0.294878295,0.18550418,0.120397419,0.075578002,0.052189095,0.033905152,64.44865296,118.0604516,111.9647059,113.48,73.26602874,927.9198611,0.532633496,0.975706211,0.925328148,0.93785124,0.60550437,7.668759182,13.02638,194.063,623.8287332,966.3970375,1247.657466,27.72572148,623.8287332,8.60E-16,1.91E-17,-156.1009848,4000420.924,88898.24276,68.40859565,2576,0,0,4,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,34,6,0,4,0,0,0,0,0,0,0,0,4,0,30,0,4,0,0,0,0,2,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,35.38324771,9.139053631,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.005299883,0,0,11.20718362,2.428295977,0,1.005299883,0,0,0,0,0,0,0,0,8.500788136,0,33.92486622,0,9.416230846,0,0,0,0,-0.277177215,0,0,-0.364622364,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,24.37418891,11.0090588,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.504529399,-0.138588608,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.249979831,0,0,0.217388808,0.317368043,0,0.249979831,0,0,0,0,0,0,0,0,1.983800506,0,0.289278814,0,2.348868406,0,0,0,0,-0.138588608,0,0,-0.364622364,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.18709446,5.504529399,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.18709446,2.359247017,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252670111,0,0,0.669682027,0.561080796,0,0.252670111,0,0,0,0,0,0,0,0,2.266593562,0,1.394383024,0,2.359247017,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.18709446,5.504529399,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,86.58333333,1.924074074,0.669682027,12.18709446,-0.171773536,-0.364622364,22.61042014,1.805255274,5.187094455,32.66533136,1.805255274,5.187094455,32.66533136,21.83332,0.48518,0,0.01482,0.4741,0.76815,0.43139,0.46853,0.76815,0.04272,0.00557,-0.03715,0,0.63163,0.08266,0,0.12214,0.0458,0.0229,28.5,0.63333,23.5,0.52222,5,0.11111,-18.5,-0.41111,0,0,69.83765,1.55195,85.47985,15.6422,0.3476,18.739,0.41642,21.909,3.17,0.07044,0.505,0.01122,0.505,0.01122,0,44.04,4,4,4,4,0,0,0.853658537,1.113060566,2.044054388,3.257153856,4.078660032,4.503343147,4.618677131,134.6803285,247.330581,394.1156166,493.5178639,544.9045207,558.8599328,0.16087333,0.295432113,0.470764307,0.589498577,0.650879052,0.667548551,5.805802671,4.874808849,3.661709381,2.840203205,2.415520091,2.300186107,0.16005596,0.293931074,0.468372434,0.586503436,0.647572048,0.664156852,9.374069741,18.62425814,23.19033607,25.99806065,27.28997693,27.04283572,167.3745812,113.1269191,88.88711952,66.50318105,56.98150276,58.21478947,45,35.31076389,36.6805293,45,3,18,5.53,5.9483,0.379743244,10.93811015,0.899530311,0.894427191,0,7.56943581,3.734624604,0.166666667,0.666666667,0,0.125,1.154700538,0.25,0,0,0,0,0,0,0.003,0.858,0.843,1.11,0.371,20.881,48,46,45,48,43,42,42,40,39,482,3.891820298,4.043051268,4.043051268,4.060443011,4.204692619,4.094344562,4.110873864,4.189654742,4.143134726,4.189654742,6.461468176,1.325726141,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,36,0.818181818,40,0.909090909,2,20,40,1,5,2,0.875,1.04,0.5,0.326530612,0.3125,0.222222222,0.18,0.148760331,0.113636364,0.041666667,0.019021739,0.023111111,0.010416667,0.007593735,0.007440476,0.005291005,0.0045,0.003814367,0.262486574,623.8287332,966.3970375,1247.657466,27.72572148,623.8287332,8.60E-16,1.91E-17,-156.1009848,4000420.924,88898.24276,68.40859565,52.6,742.3069004,6.491853096,5.220355825,5.92157842,6.663132696,7.380879036,8.129469765,8.858937222,9.61427097,10.35357542,11.1155922,162.2577916,4.48863637,0,5.638354669,0,6.920671504,0,8.270013062,0,9.66453215,9.955985121,632.5743609,5.22788728,88.04748349,1.956610744,10.94012144,10.94012144,0,13372,46,17.866,184,1.240007606,2.15106428,2.911608678,3.645127655,4.912358226,5.887063458,6.974750316,8.113805416,9.22586407,10.36070243,90.36933132,96.13106802,97.44214148,120.8284385,178.7069504,200.0306065,218.6933892,261.1643524,291.125284,323.1450373,302.6733696,366.3192564,390.9083753,485.0126972,692.445583,805.9265261,905.9925729,1056.66762,1200.373177,1338.5031,9.224613275,15.75863164,20.99414881,26.6306752,35.58621715,43.24814607,50.31896119,58.75192759,67.03991111,74.91948521,2.197608277,2.889073475,3.212105066,3.951428649,5.594507284,6.566279374,7.511263172,8.72069256,9.899520745,11.0993257,177.2908348,330.0615611,469.9069169,594.6204992,788.436765,949.2815286,1133.36403,1319.058695,1500.274351,1683.608656,2.787125988,4.449740519,5.363648034,6.976679316,9.813115651,12.91637019,12.77814337,16.16141335,18.10851606,19.54493656,0.46806713,0.628834353,0.712357172,0.883211279,1.241996422,1.471144208,1.665963441,1.944222209,2.213939523,2.472487875,1378.466683,4187.460103,44.49784043,259.626821,-788.6856958,-32.53215148,1118.839862,4976.145799,77.02999191,0.841506715,2.556301025,0.027164408,0.158493285,-0.481465615,-0.019859765,2258.057318,6859.451193,72.89162335,425.293009,-1291.940915,-53.29070601,0.086072666,0.103685996,0.503477686,0.141737253,1553.887261,84.2062432,0.948594972,0.051405028,3047.763946,55.20655709,14.49863474,3806.84131,61.69960543,15.61426663,6028.442733,77.64304691,18.19987394,3.864684573,3.864684573,107871.0201,103325.255,4754.261023,1.043994715,22.68933481,21.73318934,19.31656151,22.79602522,43.68225525,0.916222448,30.19559562,36.14470446,15.77751994,153.1281324,83.68867657,14.80978153,45.71785007,23.08802574,139.4464437,1.423425563,19.61478971,103.7796951,28.58411073,125.0021758,5.554987296,34.86603875,70.03340928,20.62800243,78.51499908,5.710029141,44.5666754,60.7731092,19.40076048,41.90269082,21.21617964,58.79397803,44.74237329,11.29752949,28.64874613,41.78167108,2.548913701,36.7352599,1.367405288,43.50454764,4.901652351,1.305521247,6.03704701,2.351362787,37.53844963,0.035972301,2.061244322,15.00680248,1.167806471,33.87115021,0.104008379,4.052779427,7.712751795,1.258971413,22.39347815,1.871327478,6.56567468,5.449547453,2.906375028,9.426452172,3.777701925,14.47063432,5.734628788,2.894339765,11.37090964,5.40755345,8.185680531,35.58426667,4.066286061,48.95977864,8.931240276,4.038935898,12.77113334,4.236469655,48.4113747,0.144301757,3.949425844,26.63378656,4.440676503,44.03422122,0.509609721,7.705585901,13.60640075,4.281484007,27.58722084,2.485556429,11.43733757,11.18325634,5.29887932,12.70674655,6.98098393,19.98558187,9.908431033,2.957937772,13.13550678,9.73264224,28.50676266,36.75912062,15.54660868,143.4771791,76.09583006,14.01180876,45.32139472,21.03547709,134.3757433,1.276620744,18.86907511,99.04420653,26.28343874,122.3912928,4.971147986,32.28669581,66.03472048,19.11286538,78.2097424,5.41512256,41.54899519,58.20651634,18.47551278,41.05608367,20.02329754,55.2667057,42.75697295,11.54337995,28.03195582,39.23410844,12.05738543,35.14868357,5.804395857,57.54457171,15.26866614,5.916150537,17.18945637,6.218539724,58.48140026,0.270591776,5.550358322,37.02539483,7.326646181,52.99863507,0.997982978,11.00783038,19.31048626,6.632808356,32.33466288,2.957483493,15.64465978,16.07549377,7.127957886,15.66619489,9.285553497,24.80723468,13.73430074,3.420575687,14.72761408,13.66189831,36.46557125,36.54953066,19.64791283,204.7477663,120.6644736,17.90287259,57.55444944,31.8035662,177.3111709,2.037224346,26.5450572,131.7268114,38.8263523,157.2145039,8.000690174,46.05473213,95.41409709,26.6119583,99.86886112,6.869951982,57.74414634,83.48266632,24.88589845,54.04775239,25.77881438,74.50120209,59.09996927,15.00020679,35.20501729,54.3241585,19.07194621,36.01843898,11.52633172,96.85829165,41.01202004,9.877888321,34.7539344,11.08361754,108.9507527,0.593066695,15.25763649,83.43507273,14.92293229,116.5816327,2.254828859,18.52413258,50.1768713,10.77538389,78.09469168,3.58070284,24.8612437,48.48166919,13.97453408,35.02302196,13.93405176,37.01793221,33.91322217,9.916126216,27.15316039,28.74999091,182.703199,8.314852903,0.571955644,0.95361549,0.043399199,0.595865532,0.405696757,0.400733395,191.5900075,1628.404077,2688.880629,0.930423236,1.402295684,163.1835372,7.498902114,0.164747176,0.955143251,0.043892453,0.475344689,0.329980111,0.033248097,170.8471865,1251.816822,1624.264695,0.932714877,0.838572898,175.890136,7.770654638,0.326420013,0.955991101,0.042234754,0.552254076,0.354329744,0.130522202,183.9872106,1426.732059,2056.864105,0.933986651,1.037106022,180.3531492,8.296597586,0.554812652,0.953217775,0.043849882,0.580635281,0.403917293,0.377071361,189.2045594,1600.982769,2620.36321,0.929826663,1.361623935,180.4513045,7.914447566,0.40288859,0.955938994,0.041926707,0.581267462,0.36756454,0.198838634,188.7686407,1504.0628,2268.2258,0.933908491,1.147670637,182.9683235,8.388869188,0.602573727,0.953159753,0.043701185,0.597596133,0.412951682,0.444786114,191.9597664,1650.204148,2767.05272,0.929739629,1.455333929,180.8036914,8.33430291,0.558350321,0.953121642,0.043934968,0.583539887,0.407596979,0.381895355,189.6963446,1612.477991,2643.537209,0.929682462,1.373032222 +UMLPP0034,L,2-Ethyl hexanoic (NPG),CCCCC(CC)C(=O)OCC(C)(C)COC(=O)C(CC)CCCC,UML,,-54,0,-0.5458,0.29789764,92.8437,66.83972,0,0,65,25,40,0,21,0,4,0,0,0,0,0,0,0,4094.061105,4234.021632,5658.113638,6488.910016,6325.021223,6329.28632,6020.113485,5077.689408,4449.200068,11002.76782,14029.1459,19649.12675,22848.41926,22734.62619,22329.8579,22907.36752,22320.24575,19941.58963,480.49626,480.637872,905.857672,1225.207168,1465.229324,1184.907296,1281.44586,1343.753136,1407.188128,78.92423219,102.7780124,152.0791399,180.8429648,178.0894349,171.5967918,181.7998006,188.1645768,176.0847055,10801.1927,9327.260289,19186.2226,26655.03627,32446.35694,25276.24173,27495.67658,30058.53648,32821.4595,219.6736111,156.3611111,275.8333333,365.1666667,477.0833333,417.3333333,468.6944444,367.5277778,379.7777778,62.98555546,66.156588,46.37798064,39.08981937,32.94281887,40.57234821,35.62197328,27.59613809,22.70000035,169.2733511,219.2054047,161.058416,137.6410799,118.4095114,143.1401147,135.5465533,121.3056834,101.7428042,7.392250154,7.50996675,7.425062885,7.380766072,7.631402729,7.59555959,7.582519882,7.303006174,7.179531265,1.214218957,1.605906444,1.246550327,1.089415451,0.92754914,1.099979434,1.075738465,1.022633569,0.898391355,166.1721954,145.738442,157.2641197,160.5725076,168.9914424,162.0271906,162.6963111,163.3616113,167.456426,3.379594017,2.443142361,2.260928962,2.199799197,2.484809028,2.675213675,2.773339908,1.997433575,1.937641723,0.571425046,-0.336062858,0.022923867,0.128690301,-0.055271494,-0.091513591,0.156517686,-0.17887576,0.035014614,2138.280133,9.464417916,189.5344889,157.1848425,-3.715538082,-334.5398097,-922.9086929,-790.7764847,224.4161829,3159.265809,-204.6825837,-107.9758601,-887.2275363,1086.595462,-284.267511,-920.0267168,-1118.503692,-150.8237555,4.148176246,0.069115819,1.713855784,0.446344233,-1.858786266,-1.464241822,-0.344726917,-0.867754543,1.108562827,14.0247533,-1.614400003,-0.840011396,-7.635860102,7.214048483,-1.128219375,-1.553312911,-4.323202355,-1.828117084,77.83419866,-9.978010189,-4.375980263,-47.78864118,42.45987411,-6.56047239,-3.974123941,-22.63101179,-11.45722842,80.0957265,-1.727587114,21.0179783,3.344418146,-29.42122288,-16.27397436,-18.81459402,-13.03636423,33.041476,0.008791155,-0.005250982,1.88E-04,7.75E-04,-2.88E-04,-5.87E-04,9.26E-04,-9.72E-04,1.79E-04,32.89661742,0.14788153,1.553561384,0.946896642,-0.019351761,-2.14448596,-5.460998183,-4.297698286,1.144980525,48.60408937,-3.19816537,-0.885048033,-5.344744194,5.659351367,-1.822227635,-5.44394507,-6.078824413,-0.769508956,0.063818096,0.001079935,0.014047998,0.002688821,-0.009681178,-0.009386166,-0.002039804,-0.004716057,0.005655933,0.215765435,-0.025225,-0.006885339,-0.045999157,0.037573169,-0.007232175,-0.009191201,-0.023495665,-0.009327128,1.19744921,-0.155906409,-0.035868691,-0.287883381,0.221145178,-0.04205431,-0.023515526,-0.122994629,-0.058455247,1.232241946,-0.026993549,0.172278511,0.020147097,-0.153235536,-0.104320348,-0.111328959,-0.070849806,0.168578959,-0.597302905,0.021373819,0.08818441,-0.032745683,-0.066729072,0.105349092,-0.110582844,0.020321107,0.004495342,0.047225566,0.028784012,-5.88E-04,-0.065188646,-0.166004854,-0.130642559,0.034805418,-0.065800335,-0.018209333,-0.109964908,0.116437762,-0.037491241,-0.112005906,-0.125068168,-0.015832185,0.016922076,0.220125624,0.042132574,-0.151699581,-0.147076865,-0.031962787,-0.073898433,0.088625847,-0.116909365,-0.031911225,-0.213190575,0.174138963,-0.033518693,-0.042598114,-0.10889448,-0.043228091,-0.130198766,-0.029954248,-0.240413855,0.184680215,-0.035119911,-0.019638016,-0.102713859,-0.048816473,-0.021906046,0.139808997,0.016349952,-0.124355072,-0.084658982,-0.090346672,-0.057496668,0.136806704,1.649480136,0.987191907,1.098503987,1.784071162,1.773404267,1.146293727,0.906812932,0.691249353,1.154681547,1.013016463,0.998960649,1.114807534,1.192779929,1.279385252,1.110467651,0.865575613,1.457900212,1.166332482,1.180412474,0.770482746,1.070711849,1.130895955,1.14148212,0.9526475,0.710604329,0.688028688,0.913045148,2.010233776,1.679738336,1.541478397,0.954895321,0.622624599,1.59637444,1.2152588,1.301034577,0.695360631,1.07967142,1.072452862,1.132518913,0.968176054,1.619021087,1.217788971,1.330556796,0.704380444,1.097923347,1.065325482,1.125053204,0.964428225,0.608126494,0.505133272,0.811512226,1.648895019,1.75484463,2.043905386,0.829140716,0.363029325,274.8408569,137.9204285,206.2309876,275.7608569,11.03043428,137.9204285,1,1.39E-15,5.55E-17,-85.52767981,4000111.716,160004.4686,38.00458212,274.9138499,137.9554561,206.2920837,275.8311472,11.03324589,137.9554561,0.997062316,2.00E-15,7.99E-17,-84.61607203,4000111.714,160004.4685,38.00458212,339.7423935,169.0732078,260.7314609,338.2740939,13.53096375,169.0732078,-1.595977912,2.00E-15,7.99E-17,-84.61607203,4000111.613,160004.4645,38.00458206,274.9904578,137.9922185,206.3562063,275.9049186,11.03619675,137.9922185,0.993979201,2.22E-16,8.88E-18,-90.10913347,4000111.711,160004.4684,38.00458212,408.6824969,202.1766599,318.8053422,404.699654,16.18798616,202.1766599,-4.329177057,9.99E-16,4.00E-17,-86.34893998,4000113.326,160004.5331,38.00458313,282.4869532,141.589745,212.6342975,283.124087,11.32496348,141.589745,0.692536744,1.78E-15,7.11E-17,-84.91052962,4000111.509,160004.4603,38.00458199,298.2655283,149.4652094,221.5462871,299.7695584,11.99078234,149.4652094,2.127834467,8.33E-16,3.33E-17,-86.80474387,4000110.667,160004.4267,38.00458146,0,11.89,15.99793579,-0.315759234,0.265750023,4.92362915,9.666647793,24,64,62,62,22,2,2,0,0,2,49.47628,3.688460237,3.625703385,3.491120203,3.261671463,3.231094334,3.006208419,2.944931464,2.681240858,1.921758565,1.910137142,1.85569202,1.713186266,1.710177103,1.42714908,1.424185376,1.249629723,3.629030576,3.587991376,3.504726142,3.253051457,3.241652909,2.913203062,2.870635951,2.700017083,1.901432917,1.87093768,1.808712003,1.650385705,1.642130516,1.377779215,1.356903359,1.236266979,3.77062201,3.718597884,3.6226272,3.421999982,3.402735885,3.16572164,3.109425544,2.939724382,1.728663815,1.701045182,1.634769014,1.425796975,1.419174808,1.085773679,1.068024981,0.916857215,3.62580861,3.592760635,3.519592694,3.269880914,3.261981712,2.900711395,2.872691805,2.712279683,1.896542731,1.852270365,1.776466008,1.614388834,1.600012454,1.373673907,1.329919367,1.207586661,3.794392034,3.752793474,3.674787107,3.482881782,3.470235264,3.20371268,3.162484734,3.027022153,1.696664301,1.661058722,1.58644171,1.362720462,1.35335674,1.030455956,0.998451841,0.851131837,4.992271548,4.990960845,3.657920409,3.501613168,3.495793207,3.299789355,3.293486855,3.114039336,1.808276436,1.800065026,1.729728866,1.504275981,1.501961492,1.129787809,1.127988893,0.895528987,0,0,2,0,0,8,8,2,1,0,0,0,0,0,0,0,0,0,0,2.011844635,0.25,0.23570226,0,1.592006961,0.25,0.048112522,0,3.345177969,4.048023711,4.402751804,1.629549111,1.716482804,1.491808572,19.29468245,11.80639085,9.817244542,7.068079321,4.54786816,3.230489089,1.91748841,0.970701507,0.771787298,0.491932952,0.327241485,0.220877479,0.146705425,0.100952784,0.06612029,0.040445896,17.35876151,10.13972419,7.8744355,4.674873502,2.688696487,1.69395337,0.985378465,0.415256255,0.69435046,0.422488508,0.262481183,0.146089797,0.086732145,0.052936043,0.033978568,0.017302344,34.69575249,64.0793882,60.90588235,61.8,38.8920479,499.9258802,0.533780808,0.985836742,0.937013575,0.950769231,0.598339199,7.691167388,5.5318,102.311,151.6423588,228.939779,303.2847176,12.13138871,151.6423588,6.11E-16,2.44E-17,-87.58013119,4000111.283,160004.4513,38.00458185,568,0,0,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18,2,0,0,0,0,0,0,0,0,0,0,6,0,10,0,0,0,2,0,0,2,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,35.43685691,-0.241236949,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.308306747,1.104493024,0,0,0,0,0,0,0,0,0,0,12.22785518,0,8.223874112,0,0,0,-0.033674128,0,0,-0.241236949,0,0,-0.363675123,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,24.41550771,11.0213492,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.510674598,-0.120618474,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.270259835,0.552246512,0,0,0,0,0,0,0,0,0,0,1.965824043,0,0.285208333,0,0,0,-0.016837064,0,0,-0.120618474,0,0,-0.363675123,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.20775386,5.510674598,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.20775386,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.663125,0.552246512,0,0,0,0,0,0,0,0,0,0,2.124593551,0,1.085169756,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.20775386,5.510674598,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,55.25,2.21,0.663125,12.20775386,-0.182975662,-0.363675123,9.176943259,1.787285141,5.207753857,29.466128,1.787285141,5.207753857,29.466128,11.83332,0.47333,0,0.02667,0.50103,0.82267,0.42987,0.50103,0.82267,0.07116,0,-0.07116,0,0.57536,0.13893,0,0.30986,0.16901,0.04225,16.5,0.66,13.5,0.54,3,0.12,-10.5,-0.42,0,0,35.20863,1.40835,45.52664,10.318,0.41272,9.7739,0.39096,11.80637,2.03247,0.0813,0.60763,0.02431,0.60763,0.02431,0,24.04,4,4,4,4,0,0,0.904761905,1.205201818,1.985646293,3.298388582,4.044993582,4.080231952,4.141770414,78.33811817,129.067009,214.3952578,262.9245828,265.2150769,269.2150769,0.200120925,0.329711893,0.54768966,0.671661663,0.677512912,0.687731228,4.817165995,4.03672152,2.723979231,1.977374231,1.942135861,1.880597399,0.199391667,0.328510394,0.545693831,0.669214069,0.675043995,0.685225075,10.71321915,20.32439375,25.2849346,26.03738181,26.07289592,26.81135746,91.51815326,57.58382409,44.77496407,38.84030045,38.50870527,36.27680289,25,14.10666667,11.34375,25,3,7,3.33,3.2163,1.851005856,10.55909377,4.472391038,1.650963624,8.500106016,9.763742007,2.487494563,1.645299747,1.154700538,0,0.125,1.154700538,0.25,0,0,0,0,0,0,0.003,0.85,0.835,0.832,0.069,10.565,30,32,31,32,29,24,20,20,16,283,3.295836866,3.555348061,3.663561646,3.63758616,3.713572067,3.526360525,3.295836866,3.258096538,3.218875825,3.044522438,5.796057751,1.159010601,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,0.666666667,22,0.916666667,2,8,16,1,6,3.333333333,1.625,1.2,0.944444444,0.489795918,0.25,0.24691358,0.16,0.099173554,0.25,0.111111111,0.05078125,0.038709677,0.029513889,0.016889514,0.010416667,0.012345679,0.008,0.006198347,0.552387654,151.6423588,228.939779,303.2847176,12.13138871,151.6423588,6.11E-16,2.44E-17,-87.58013119,4000111.283,160004.4513,38.00458185,52.6,401.6601252,5.64385619,4.691347882,5.451038454,6.267200549,7.053585727,7.874358825,8.670600738,9.493185767,10.29461706,11.11799962,119.9139346,3.891820298,0,5.129898715,0,6.546785411,0,8.040768994,0,9.574219305,9.821735051,356.2926598,5.481425535,47.7257161,1.909028644,10.962851,10.962851,0,1824,32,6.966,108,1.24690625,2.146863395,2.912373296,3.568051325,4.508040284,5.346949289,6.131658811,6.891097979,7.969073261,9.890573223,93.86174426,110.2758428,123.7860369,135.5080628,207.4671763,217.3852812,194.4199975,187.6596566,228.4269756,315.6771315,298.3884403,371.8050504,424.1611458,464.0845933,699.113127,780.2095796,802.2963863,777.9529147,897.5848019,1274.734073,9.415767123,16.02962796,21.57772635,27.29551068,34.40443255,40.83147468,45.25269044,49.8903337,57.97116547,73.71117004,2.133238074,2.824232755,3.300837897,3.551974802,5.251391338,6.041472444,6.568747129,6.616784999,7.451607208,10.382177,179.6907028,333.7386856,464.4406355,596.10143,722.2788515,861.8348008,994.046242,1142.101398,1338.412952,1604.553995,3.11161849,5.048626836,6.540321938,9.006073911,12.40251363,15.3909393,12.91718098,13.95383615,15.43492793,24.46348264,0.466867266,0.632627254,0.766338456,0.858615744,1.237534222,1.413692082,1.496442617,1.509691397,1.718902308,2.412744929,697.66176,1338.786427,20.85565636,234.4775864,-449.9535853,-27.1676777,463.1841735,1788.740013,48.02333406,0.748452217,1.436251385,0.022373968,0.251547783,-0.482710645,-0.029145511,650.317977,1247.935505,19.44037789,218.5657842,-419.4194409,-25.32406134,0.13787863,0.164025775,0.286182401,0,863.679191,68.46015539,0.926555879,0.073444121,1792.784873,42.3412904,12.14812894,2180.266316,46.69332196,12.96691055,4022.294331,63.42156046,15.9034476,3.90267746,3.90267746,10298.38832,10112.29967,528.8739031,1.018402208,19.47229435,19.1204361,8.191781306,10.2542663,20.5004927,0.999215945,11.18247425,19.33583179,11.77825603,67.69580639,21.39513749,33.1171782,31.31068473,40.58281764,48.102066,29.29531423,26.69834834,25.68065517,27.18364977,16.48239293,11.647607,32.80825793,18.11509288,26.06097513,8.994092123,14.30293658,21.57860631,14.48580097,21.38657479,5.995598939,12.10235171,7.970298959,9.450596426,11.83602829,7.823634011,9.950517537,0.971482616,18.38164854,0.91474426,27.82176702,1.879974701,9.556643199,9.221601091,4.730161655,9.907987047,2.849918467,9.176031839,3.767814225,7.402624199,2.119892631,0.67259458,9.886326655,0.971409004,8.016041214,1.424244341,1.993446998,3.927000848,0.563731876,6.25683742,0.280288819,4.157614208,1.439069436,0.636383016,0.68556797,0.325190718,3.738826784,3.041229435,17.90342465,2.456784272,30.28564079,3.262687927,11.71446209,10.70476921,9.492398081,13.9945094,6.107523894,9.973088858,6.33790413,7.34461501,3.744065824,1.64599052,11.84887437,2.92320435,8.694978325,1.744588559,3.457718148,5.476596531,2.237110665,6.617765209,0.859470771,5.228371387,1.538421092,1.847118974,2.06532099,1.268119353,4.418850015,10.56557371,19.4990512,12.06869881,67.70306171,19.74990932,32.2458531,32.47948732,37.96305284,47.88186733,28.13795539,25.74716486,24.38869822,28.6707539,15.53502466,11.48804016,32.56470746,16.6497972,27.30913495,8.538349541,13.179423,21.58963651,13.23842787,21.70130272,5.884071722,11.44475868,7.624261571,9.378988589,10.8363261,7.156688806,9.362257329,4.467049141,17.79865053,3.41618475,33.10499821,4.895250787,13.93218532,12.02225457,13.44152953,17.36206925,8.670294331,11.43104584,8.652598406,8.119662294,5.149515048,2.446925964,13.67205764,4.706508705,9.65468062,2.350568303,4.774058717,6.85549693,3.728125958,7.567971605,1.318359503,6.121013313,1.992057857,2.681534948,3.278606321,2.08989976,5.060228861,13.5045032,20.10666209,15.69518299,84.70845552,30.23657468,41.69089141,40.83105723,53.00012139,62.30559145,39.26687391,34.02967223,33.25433265,36.81296401,22.06564683,16.55029181,42.1421134,24.59516949,33.78669048,12.23493314,18.88699131,28.71321481,19.64594095,27.74589741,8.411356255,14.85208509,10.95688741,12.62970245,15.89749493,10.52908207,12.3647316,7.315642549,17.42406268,8.918396337,64.30414187,11.14679238,27.84355634,33.17210552,25.91453991,45.34062704,22.57417015,18.72893598,20.2700665,34.28122566,10.68991612,8.843856821,27.26895815,9.664859735,28.42899015,8.329408684,7.705285283,21.17344436,6.604016807,23.5017811,3.948214542,7.764819732,8.022476293,9.181103409,5.691491993,3.618072995,6.71874218,33.57457648,1.476537938,0.928057665,0.933167011,0.041038686,0.52738209,0.467164037,0.431358096,35.97917208,82.10359129,164.0904202,0.899750517,1.425904223,27.90473745,1.056723409,0.483096808,0.94770442,0.035888582,0.364305379,0.271275527,0.091403497,29.44455767,43.47877857,87.16869649,0.92155663,0.726984403,31.26198414,1.169779868,0.649979603,0.944992033,0.035360285,0.457234688,0.301298207,0.202212087,33.08174361,57.64962477,114.5008883,0.917488049,0.960744983,32.94030337,1.459396471,0.919451358,0.932647084,0.041320259,0.507644691,0.462298648,0.415227452,35.3191512,79.70181322,159.2217151,0.898970626,1.385170792,32.59057354,1.254791298,0.72177881,0.942819397,0.036300115,0.49692302,0.337977137,0.26022491,34.56714364,65.32323523,129.4070672,0.914229096,1.095125066,33.71379595,1.516352593,0.96574813,0.931425909,0.041892942,0.531764708,0.49293034,0.466831082,36.19589667,85.14545197,170.7123264,0.897138863,1.491526131,33.10047406,1.473904198,0.930587461,0.932277314,0.041512621,0.512593515,0.472381919,0.424084089,35.50496572,80.96141054,161.8668794,0.89841597,1.409059523 +UMLPP0035,L,"3,5,5-TMH (NPG)",CC(C)(C)CC(C)CC(=O)OCC(C)(C)COC(=O)CC(C)CC(C)(C)C,UML,,-45,0,4.8464,23.48759296,109.5643,73.026892,0,0,71,27,44,0,23,0,4,0,0,0,0,0,0,0,4386.653603,4570.978226,6771.926766,6644.098494,6818.117355,6365.531646,6230.275117,5076.236794,4783.705206,11974.1366,15335.12617,22826.98546,27492.57308,26285.03799,24260.27693,21983.42105,19555.70797,20061.60366,522.451148,524.189432,991.458984,1365.49116,1960.323612,1275.061464,1518.042532,1190.468488,996.393192,86.28048381,112.8099896,173.4930659,223.7628535,222.4023917,190.9736518,180.1366933,151.3113457,165.5963402,11794.45202,10193.33919,21067.42848,28404.91599,46570.65091,26721.23723,34617.33167,25938.34984,21036.24216,233.7986111,172,304.1111111,422.0833333,516.6666667,459.25,528.9444444,402.125,321.6111111,61.78385356,65.29968894,50.53676691,36.10923095,25.2522865,37.89006932,30.39158594,32.96257658,35.17430299,168.6498113,219.073231,170.3506377,149.4161581,97.35199256,144.4064103,107.2362003,126.9851167,147.5117916,7.358466873,7.488420457,7.398947642,7.421147609,7.260457822,7.589651571,7.405085522,7.730314857,7.326420529,1.215218082,1.611571281,1.294724372,1.216102465,0.823712562,1.136747927,0.878715577,0.982541206,1.217620149,166.1190426,145.6191313,157.2196155,154.3745434,172.4838923,159.0549835,168.8650325,168.4308431,154.6782512,3.292938185,2.457142857,2.269485904,2.293931159,1.913580247,2.733630952,2.580216802,2.611201299,2.364787582,0.572747472,-0.332260678,0.124876338,-0.105592084,0.096613045,-0.253572086,0.464142005,-0.364499012,0.055282999,2303.302487,9.112467542,832.1850856,-2318.684104,2312.550133,-1482.377416,928.0664717,-666.3166501,-1390.394822,3460.351243,-205.7508094,1087.908369,-4485.849767,4018.892896,-2311.334964,716.9830873,1015.377845,-2924.761872,4.202138366,0.078454681,1.868882971,-0.767332667,0.529418438,-1.68232774,1.568729619,-3.516420682,0.706492369,15.36667364,-1.613887977,4.529680394,-20.86147193,17.07475925,-9.824412661,0.799068405,9.713128079,-13.52050512,85.12690038,-9.961234713,24.84831662,-114.9069053,91.20511089,-53.14576368,0.748485771,60.28804964,-73.75491864,82.19209703,-5.365643391,31.5504006,-27.1981419,13.80880943,-31.74620611,20.75433253,-51.06004926,20.68603011,0.008066866,-0.004746581,9.32E-04,-5.74E-04,3.58E-04,-0.001509358,0.002264107,-0.002366877,4.06E-04,32.44088011,0.130178108,6.21033646,-12.60154404,8.565000494,-8.823675096,4.527153521,-4.326731494,-10.22349134,48.73734145,-2.939297277,8.11871917,-24.3796183,14.8847885,-13.75794621,3.497478474,6.593362631,-21.505602,0.059185047,0.001120781,0.013946888,-0.004170286,0.001960809,-0.010013856,0.00765234,-0.022833901,0.005194797,0.216432023,-0.023055543,0.033803585,-0.113377565,0.063239849,-0.058478647,0.003897895,0.06307226,-0.099415479,1.198970428,-0.142303353,0.185435199,-0.62449405,0.337796707,-0.316343831,0.00365115,0.391480842,-0.542315578,1.157635169,-0.076652048,0.235450751,-0.147815989,0.051143739,-0.188965513,0.101240646,-0.331558761,0.152103163,-0.58840462,0.115523549,-0.071139156,0.044357511,-0.187105834,0.280667535,-0.293407224,0.050390405,0.00401278,0.191435511,-0.388446429,0.264018746,-0.27199247,0.139550885,-0.133372815,-0.315142231,-0.060308937,0.166581084,-0.500224624,0.305408298,-0.282287581,0.071761782,0.135283592,-0.441255131,0.018936897,0.235648841,-0.070461821,0.033130142,-0.169195701,0.12929515,-0.385805225,0.087772116,-0.10652556,0.156185691,-0.523848381,0.292192662,-0.270194059,0.018009787,0.291418337,-0.459338121,-0.118687959,0.154662029,-0.520858593,0.281738981,-0.263846233,0.003045238,0.326514176,-0.452317727,-0.06621434,0.203389424,-0.127687887,0.044179496,-0.163234081,0.087454709,-0.286410408,0.131391276,1.638570436,0.879223091,1.142774479,1.100169809,1.926787399,1.073242308,2.066691974,0.770020016,1.177077108,0.881574734,1.483996604,0.666804001,1.431235174,0.875316561,1.323316907,1.359469873,1.461166444,0.992407599,1.692970771,0.526476877,1.372334876,0.822776537,0.760581748,1.63512736,0.71276663,0.670445717,0.997989715,1.127392919,1.716998832,1.265748084,2.664519591,0.580538251,1.587956303,1.036051899,1.758193913,0.50873599,1.382832085,0.858447898,0.591247132,1.694406036,1.608763314,1.041692356,1.761565602,0.517560591,1.394172196,0.879758951,0.584849243,1.687466898,0.673050651,0.445693248,0.951049834,0.844128097,1.847699778,1.669744931,2.383513031,0.47671232,329.7870263,165.3935131,253.712213,330.7129522,12.24862786,165.3935131,1,8.33E-16,3.08E-17,-93.74912338,4000137.533,148153.242,41.04496611,329.8662979,165.4316801,253.7786452,330.7895038,12.2514631,165.4316801,0.997062316,1.11E-16,4.11E-18,-99.18936154,4000137.524,148153.2416,41.04496611,400.183473,199.2937475,313.0140258,398.7057157,14.76687836,199.2937475,-1.595977912,8.33E-16,3.08E-17,-93.74912338,4000133.908,148153.1077,41.04496367,329.9494951,165.4717372,253.8483682,330.8698463,12.25443875,165.4717372,0.993979201,1.05E-15,3.91E-17,-93.11087368,4000137.516,148153.2413,41.0449661,474.8435085,235.2571657,376.292459,470.8350112,17.43833375,235.2571657,-4.329177057,1.33E-15,4.93E-17,-92.48011358,4000133.881,148153.1067,41.04496365,338.089307,169.3909219,260.6752573,338.7305447,12.54557573,169.3909219,0.692536744,3.89E-16,1.44E-17,-95.80690152,4000136.732,148153.2123,41.04496557,392.8648412,196.7137089,299.2242672,394.2652035,14.60241495,196.7137089,1.800465839,2.16E-15,8.02E-17,-91.16924248,4000139.696,148153.3221,41.04496757,0,11.89,15.99793782,-0.315966446,0.262916277,4.684163818,9.548765653,26,70,68,68,24,2,2,0,0,2,53.849108,3.681535941,3.641485874,3.563028358,3.413515317,3.327458807,3.021540098,2.969843654,2.451177744,1.958442108,1.95594397,1.868888997,1.710828735,1.703641482,1.335069747,1.322653987,1.249629723,3.651523226,3.64033216,3.554428879,3.343527797,3.309470836,2.938181656,2.888726381,2.405454588,1.919210465,1.90953932,1.841656698,1.672890896,1.649999193,1.363585145,1.324253156,1.134540686,3.773879486,3.749252453,3.68002423,3.509758308,3.453626231,3.174208077,3.120020839,2.704236987,1.761743071,1.755643288,1.66717294,1.467617354,1.44883555,1.072441272,1.033820023,0.76031856,3.659949246,3.652929927,3.559499689,3.341998993,3.318721582,2.91449837,2.870789904,2.457539916,1.902639303,1.882778972,1.82185133,1.660811732,1.619338588,1.373021435,1.322727425,1.058262671,3.806994563,3.792008916,3.721210653,3.540030567,3.503114296,3.20935689,3.159085568,2.838982085,1.721955775,1.712723687,1.628528204,1.425436973,1.397982513,1.039850436,0.993417264,0.631337262,4.877965965,4.876385773,3.625208915,3.615549242,3.60881896,3.269224095,3.260485848,3.061621401,1.877272257,1.875392393,1.767553255,1.53444759,1.529552554,1.025726737,1.000798483,0.866969348,0,0,2,0,0,12,4,2,3,0,0,0,0,0,0,0,0,0,0,5.483127663,0.957106781,0,0,5.023628524,0.957106781,0,0,3.795441744,6.410085045,6.123014583,2.650393281,4.586936081,3.495367015,21.46625533,11.98960096,13.66322385,6.15897109,5.266186344,2.783135694,1.745173088,1.037478956,0.795046494,0.461138499,0.359558522,0.205299036,0.150462467,0.09277119,0.060178382,0.039903037,19.53033439,10.30286089,11.63374112,4.199712312,3.515386078,1.288451253,0.712219881,0.458394156,0.723345718,0.396263881,0.306151082,0.13999041,0.100439602,0.042948375,0.024559306,0.017630544,37.7794081,69.85506191,66.35686275,67.32,42.48915689,545.9823904,0.532104339,0.983874111,0.934603701,0.948169014,0.598438829,7.689892823,6.0238,111.405,180.1723518,278.224228,360.3447035,13.34610013,180.1723518,2.78E-15,1.03E-16,-90.49839681,4000135.355,148153.1613,41.04496464,642,0,0,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18,2,0,0,0,0,0,0,0,0,0,0,10,0,6,0,0,0,2,0,0,2,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,35.02686544,-0.35194268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.003624351,1.104493024,0,0,0,0,0,0,0,0,0,0,21.11279666,0,3.345649713,0,0,0,0.588414754,0,0,-0.35194268,0,0,0.028216115,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,24.14488969,10.88197575,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.440987875,-0.17597134,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.270259835,0.552246512,0,0,0,0,0,0,0,0,0,0,1.949132181,0,0.262793525,0,0,0,0.294207377,0,0,-0.17597134,0,0,-0.383084845,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.07244484,5.440987875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.07244484,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.663125,0.552246512,0,0,0,0,0,0,0,0,0,0,2.175244351,0,0.98199992,0,0,0,0.294207377,0,0,0,0,0,0.20565048,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.07244484,5.440987875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,59.75,2.212962963,0.663125,12.07244484,-0.162195914,-0.383084845,11.03994446,1.842638007,5.072444844,30.48279547,1.842638007,5.072444844,30.48279547,12.83332,0.47531,0,0.02469,0.49531,0.81358,0.43012,0.49531,0.81358,0.06518,0,-0.06518,0,0.58422,0.13007,0,0.44156,0.15584,0.11688,17.5,0.64815,14.5,0.53704,3,0.11111,-11.5,-0.42593,0,0,42.55886,1.57625,53.21277,10.65391,0.39459,9.90536,0.36687,11.98957,2.08421,0.07719,1.42443,0.05276,1.42443,0.05276,0,26.04,4,4,4,4,0,0,0.913043478,1.188382102,2.034406842,3.118666586,3.515118246,3.789353105,3.789353105,84.37512928,144.4428858,221.4253276,249.5733955,269.0440704,269.0440704,0.193240808,0.330811463,0.50712111,0.571587445,0.616180313,0.616180313,4.961365017,4.115340277,3.031080533,2.634628874,2.360394015,2.360394015,0.192608841,0.32972959,0.505462641,0.569718148,0.614165181,0.614165181,10.49208545,20.86944795,23.50638649,24.91075291,25.18713367,25.18713367,99.0018331,59.53794456,53.23240042,47.53045436,45.6780413,45.6780413,27,11.2534626,16.64,27,3,6,3.55,3.4981,6.010402987,10.50816999,6.929261483,6.066319549,3.074061869,6.822256693,4.193878687,1.203425975,2.432880798,0.340157368,0.125,1.154700538,0.25,0,0,0,0,0,0,0.003,0.952,0.929,0.674,0.027,10.739,38,30,35,30,29,26,22,28,17,308,3.36729583,3.761200116,3.555348061,3.737669618,3.663561646,3.63758616,3.36729583,3.33220451,3.433987204,3.091042453,5.869296913,1.146103896,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,0.538461538,24,0.923076923,2,8,16,1,12,2.888888889,2.625,1.36,0.944444444,0.653061224,0.3125,0.469135802,0.22,0.099173554,0.461538462,0.076023392,0.0875,0.038857143,0.031481481,0.022519353,0.012019231,0.021324355,0.007857143,0.005833738,0.807125019,180.1723518,278.224228,360.3447035,13.34610013,180.1723518,2.78E-15,1.03E-16,-90.49839681,4000135.355,148153.1613,41.04496464,52.6,436.2520945,5.754887502,4.859812404,5.579729826,6.466144724,7.201170883,8.081165778,8.824824939,9.698981735,10.44909134,11.31816284,125.4790845,3.970291914,0,5.323009979,0,6.781057626,0,8.287276756,0,9.820812216,10.06679617,384.3239599,5.41301352,50.90172703,1.885249149,10.90573283,10.90573283,0,2352,30,8.486,128,1.247142857,2.146715835,2.961924354,3.499981626,4.41150392,5.11708628,6.373288377,7.685707727,8.282886696,9.878071231,92.86401287,121.119091,113.1600379,102.3551592,193.4059072,188.9013156,242.6155919,299.4447667,246.1556219,332.0613862,298.5385726,397.2014235,457.0351628,372.9001911,691.3311297,622.1800461,894.505187,1197.037515,961.1794199,1429.129731,9.389502933,15.98052245,22.00736632,25.49337666,33.65743329,38.32729104,49.59213088,56.55976351,59.76943973,73.01863391,2.142567506,2.960539758,3.681994694,3.066558102,5.295374924,4.893823366,6.758217924,9.682089381,7.913750445,11.87973158,179.5446025,332.8439341,455.5448297,598.6424586,694.8139835,851.5532522,1059.486952,1181.995676,1398.347358,1510.357278,3.114769048,5.114817377,6.814919634,6.798345706,12.28790514,14.10775824,16.94463781,18.35537469,14.97383012,24.54645129,0.466590857,0.65485771,0.831302022,0.717928164,1.238167494,1.184559222,1.614545347,2.153467849,1.785196302,2.700003002,735.8544291,1465.643191,21.87613474,176.7212872,-351.9858562,-21.00927332,559.1331419,1817.629047,42.88540806,0.806348904,1.606051054,0.023971857,0.193651096,-0.38570592,-0.023021951,671.5228828,1337.510385,19.96362933,161.2715552,-321.2137449,-19.17255265,0.131407869,0.158134978,0.29754722,0.189147195,856.0197264,56.55598997,0.938025975,0.061974025,1916.948011,43.78296485,12.42234095,2343.177599,48.40637973,13.28215066,4340.956978,65.88593915,16.31279933,3.921145669,3.921145669,14076.62862,13956.82864,537.53825,1.00858361,26.18721294,25.96434513,8.791310724,10.25426955,20.50049608,0.999215641,12.29809333,20.05478226,10.32861335,87.64395305,12.34154221,49.04513876,36.22501997,43.84849615,43.67876241,24.68228639,20.29852236,22.74616979,20.44759113,24.93579342,10.3127771,34.99433265,18.16626381,30.56352132,24.81802266,14.12636698,27.50415457,8.009673188,24.37503131,7.027652785,16.27986646,23.5853678,7.427592796,23.11975015,9.78711447,20.08210976,1.065107498,20.27695288,0.777968585,36.25694287,3.96358936,7.716930018,7.915296572,3.033080345,13.15820848,1.506098045,8.811584512,4.491247389,7.375185308,1.719480221,0.411908816,10.67036942,2.711613311,9.948095732,1.395292438,1.515504236,8.541984377,0.332416886,14.89054417,0.351467795,3.460233507,2.534364532,0.415169564,7.832244647,0.20056104,3.364522811,3.343462821,19.73100467,2.055186283,41.63057121,4.443364793,13.24910959,9.80328529,8.11033506,15.11430858,4.520407708,8.703284399,6.351540834,6.960286243,4.955080994,1.241369875,11.61909513,5.119028201,10.57148342,4.744248121,3.071809159,7.867197517,1.251230643,13.11324949,1.099184176,5.456356985,5.19319875,1.174846841,10.01734988,1.056487005,5.352793517,11.61862622,20.35100441,10.6309685,87.3225528,11.8388244,46.47552758,36.24305089,41.82245517,45.28701687,24.31300363,20.2459568,22.07450777,22.51651974,23.02685477,9.891266656,34.33016591,17.12388672,32.42601301,23.16215602,13.31300665,27.95075958,7.4086746,26.25349492,6.847665811,16.03091542,22.20741487,7.436829363,21.85294629,8.81077272,18.55485567,4.912486408,19.52855248,2.849496843,46.10307607,5.066804032,17.74946809,11.78840404,12.19279454,17.10516653,6.679243285,9.337853174,8.159159309,7.182922393,7.612658202,2.010900039,13.294675,6.950888827,11.55553464,7.396282425,4.361689765,8.662733246,2.049522221,12.81004654,1.68194037,6.819404741,7.523887102,1.72435121,11.7950959,1.970931555,7.140537214,14.85177903,20.2639154,13.92462926,107.0325704,16.24815438,63.17310092,48.43831952,58.87999092,55.91057979,33.29979535,25.8096176,29.07567998,27.05190382,32.77608494,14.7522247,45.91280917,22.99146758,39.41284004,32.65141419,18.80833228,36.71309206,10.88471477,29.91798101,9.708423743,20.44228834,30.55510571,10.34081788,28.18588237,13.84427089,26.30888877,8.034713724,17.16832966,7.080718284,80.66761553,9.173213132,31.11268202,29.6296579,28.85192307,51.78898986,19.4220114,16.12542141,18.59176152,29.52316126,12.7869668,5.474890673,27.57561671,11.6288513,33.71660302,13.71742711,8.910371921,28.71091753,3.91830173,36.82654816,3.995589436,12.90134158,16.38867819,7.200291302,15.21727356,3.828072732,9.60975182,42.27857155,1.448025128,1.120579562,0.942725386,0.032287989,0.61994315,0.478394825,0.417877464,44.84717624,110.2195645,223.6691078,0.91408808,1.516215439,35.77385015,0.856994841,0.546855044,0.962239464,0.023051314,0.443856581,0.17695757,0.103960558,37.17770003,50.68976737,104.6329521,0.943359196,0.724774708,39.82076475,1.074801291,0.785849799,0.955360175,0.025786103,0.549959173,0.265469885,0.208433453,41.68141584,74.93718174,150.2525049,0.933040263,1.023862511,41.50648022,1.419489178,1.092681222,0.942929409,0.032247449,0.5975071,0.461280408,0.400518699,44.01865062,105.8224002,214.2196425,0.914394114,1.459306207,41.36738419,1.191451874,0.894327806,0.95199936,0.02741922,0.593509088,0.323806771,0.26596292,43.45316387,87.34879788,174.8809176,0.92799904,1.183278778,42.39512123,1.493588526,1.160626587,0.941082037,0.033154507,0.623365866,0.50908303,0.448576166,45.04933634,114.2592701,232.8004877,0.911623056,1.581025062,41.73220285,1.43187696,1.102704923,0.942743032,0.032346532,0.604023558,0.46948331,0.408088078,44.26678474,107.3526231,217.5119592,0.914114548,1.481594946 +UMLPP0036,L,nC7 (TMP),CCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC,UML,,-60,0,-4.3631,19.03664161,121.0004,94.952408,0,0,92,36,56,0,30,0,6,0,0,0,0,0,0,0,5920.63122,6158.339975,7806.149692,8435.086962,8658.016002,9335.265372,10014.35677,9055.164717,9684.022176,15744.5414,20161.25548,27566.38213,30911.86965,31104.78618,31419.26259,32427.88983,32341.36473,32438.91686,682.55976,684.945764,1295.806744,1765.585752,1907.560584,1754.079192,1764.437256,1861.37946,1856.50488,112.4245467,146.9239414,215.0714838,248.3879395,246.106523,242.2011408,246.2020142,251.954558,251.7389356,15271.92691,13251.60589,27278.5111,39177.03841,41991.43806,38468.53646,37077.15135,40499.31481,40498.51609,315.1458333,219,399.875,489,587.125,548.125,725.2083333,601.875,696.875,64.35468717,67.67406566,44.86292926,35.14619567,34.35720636,39.89429646,43.92261742,36.80961267,39.3659438,171.1363196,221.552258,158.4274835,128.7994569,123.4316912,134.270353,142.227587,131.4689623,131.8655157,7.419127826,7.526876527,7.447165195,7.3566073,7.569684857,7.496064923,7.738759895,7.566583171,7.546767805,1.222005942,1.614548806,1.23604301,1.034949748,0.976613186,1.03504761,1.079833396,1.02420552,1.023329006,165.9992056,145.6220427,156.7730523,163.2376601,166.6326907,164.3954549,162.6190849,164.631361,164.6281142,3.425498188,2.406593407,2.298132184,2.0375,2.329861111,2.34241453,3.180738304,2.446646341,2.832825203,0.849755866,-0.474635957,0.100205199,-0.02260961,0.102968905,-0.411650005,0.549450964,-0.438650601,0.304129988,3062.640742,35.57694276,-249.1867906,384.5224578,-56.02361141,898.9979375,-346.1302427,-263.1023029,616.41706,4483.18582,-258.1036855,-1117.63455,-239.1780751,504.664512,1053.214918,-942.4178624,58.17241304,458.9242004,6.165238957,0.092845467,2.413222669,0.0413422,-0.028033316,-0.784351259,2.846888847,-2.356065732,1.408124008,19.91903817,-2.182766906,-5.447713291,-4.30060156,4.29037825,1.947677515,-3.148251884,0.464135511,0.655246914,110.7082587,-13.64127839,-29.18741476,-29.11380859,26.90826775,5.208695178,-13.78354565,1.754709201,1.711090358,117.7810236,1.181496633,32.02692285,-4.563267958,-25.69774929,-9.939641422,18.78973693,-34.43825319,87.6582142,0.009236477,-0.00521578,5.76E-04,-9.42E-05,4.09E-04,-0.001759188,0.002409873,-0.001783133,0.001236301,33.28957328,0.390955415,-1.432107992,1.602176907,-0.222315918,3.841871528,-1.5181151,-1.069521556,2.505760407,48.73028065,-2.836304236,-6.423187067,-0.996575313,2.002636952,4.500918453,-4.133411677,0.236473224,1.86554553,0.067013467,0.00102028,0.013869096,1.72E-04,-1.11E-04,-0.003351928,0.012486355,-0.009577503,0.005724081,0.216511284,-0.02398645,-0.031308697,-0.017919173,0.017025311,0.008323408,-0.013808122,0.00188673,0.002663605,1.203350638,-0.149904158,-0.167743763,-0.121307536,0.10677884,0.022259381,-0.060454148,0.007132964,0.006955652,1.280228517,0.012983479,0.184062775,-0.019013616,-0.101975196,-0.0424771,0.082411127,-0.139992899,0.356334204,-0.564693645,0.062349743,-0.01019942,0.044238379,-0.19046094,0.260908212,-0.193053321,0.133849821,0.01174408,-0.043019716,0.04812849,-0.006678245,0.115407653,-0.045603321,-0.032127824,0.075271629,-0.058204143,-0.131811001,-0.020450843,0.041096356,0.092363894,-0.084822242,0.004852696,0.038283086,0.015224997,0.206959831,0.002570516,-0.001660014,-0.050018729,0.18632605,-0.142919079,0.085416881,-0.11078614,-0.144605382,-0.08276323,0.078634749,0.0384433,-0.063775532,0.008714233,0.012302386,-0.124572301,-0.139397244,-0.100808137,0.088734602,0.018497835,-0.050238181,0.005927586,0.005780237,0.010141533,0.143773375,-0.014851736,-0.079653901,-0.033179311,0.064372201,-0.10934993,0.278336406,1.612554504,0.954104213,1.033696134,1.413034351,1.738659157,1.369673839,1.621867047,1.340257978,1.130206639,1.099012837,0.949065862,1.08774505,0.943427466,1.21215692,1.123191146,1.001043824,1.44062434,1.28161861,1.039617844,0.899244106,0.898282008,1.096468548,0.975103517,0.944119042,0.709483611,0.696296111,0.946911659,1.537169508,1.353629826,1.569207705,1.625828491,1.32130702,1.584930342,1.332403602,1.108205022,0.854225301,0.953977335,1.086685544,0.97259784,0.971070103,1.608633269,1.331992899,1.126269501,0.857766259,0.982805031,1.096370079,0.989210704,0.989204924,0.559300624,0.494728559,0.831975156,1.261831382,1.212687689,2.048142492,1.543506488,1.015732549,554.7030142,278.1015071,362.4565654,556.1196809,15.44776891,278.1015071,1.5,9.64E-16,2.68E-17,-124.4729342,5004398.532,139011.0703,55.53298004,554.8320369,278.1638152,362.5436839,556.2445418,15.45123727,278.1638152,1.495593475,1.39E-15,3.85E-17,-123.1598589,5000276.946,138896.5818,55.53001389,669.5148464,333.5604398,440.3556868,667.2538777,18.53482994,333.5604398,-2.393966868,6.00E-16,1.67E-17,-126.1772816,5046730.622,140186.9617,55.56330428,554.9674495,278.2292091,362.6351184,556.3755867,15.45487741,278.2292091,1.490968801,8.50E-17,2.36E-18,-133.2150562,5107543.65,141876.2125,55.60642495,791.6550228,392.5806286,523.7147222,785.522022,21.82005617,392.5806286,-6.493765586,3.33E-16,9.25E-18,-128.2974778,5000261.937,138896.1649,55.53000308,568.219545,284.629175,371.589743,569.2006387,15.81112885,284.629175,1.038805115,2.28E-15,6.32E-17,-121.3789525,5000275.137,138896.5316,55.53001259,554.8506333,277.9180643,360.9079797,557.240477,15.47890214,277.9180643,3.63,3.92E-16,1.09E-17,-127.7105352,5003385.201,138982.9223,55.53225101,0,11.89,15.99996003,-0.315867816,0.263838052,4.570290649,10.97614141,35,91,88,88,32,3,3,0,0,3,69.841592,3.700538482,3.554186711,3.554186711,3.485743096,3.371541098,3.371541098,3.30905548,3.035847565,1.918059883,1.906723385,1.906723385,1.87876015,1.719383266,1.719383266,1.712118247,1.491195144,3.636281924,3.531421468,3.531421468,3.507453408,3.323777442,3.323777442,3.2923078,2.994353497,1.903018242,1.853593126,1.853593126,1.831019477,1.678686973,1.678686973,1.655899829,1.444781066,3.780026355,3.669634434,3.669634434,3.632025545,3.497996818,3.497996818,3.447741982,3.208645732,1.729098389,1.671084963,1.671084963,1.652669495,1.462982047,1.462982047,1.444765203,1.168967626,3.630483311,3.544961364,3.544961364,3.526693926,3.325359652,3.325359652,3.303271745,2.991261093,1.903615536,1.824132956,1.824132956,1.795031241,1.662988476,1.662988476,1.623106099,1.413906438,3.800203165,3.716913215,3.716913215,3.690179254,3.536521683,3.536521683,3.501399531,3.258367343,1.700876244,1.619730662,1.619730662,1.598362005,1.41559247,1.41559247,1.389446463,1.105829519,5.122238849,5.12065371,5.12065371,3.717357612,3.541573769,3.541573769,3.539394611,3.307152116,1.793243124,1.759368502,1.759368502,1.752361067,1.505513817,1.505513817,1.501680739,1.175290069,0,0,3,0,0,7,19,0,1,0,0,0,0,0,0,0,0,0,0,1.573132185,0.125,0,0,0.883883476,0.125,0,0,2.880074957,3.492225803,3.785674466,1.429849139,1.451918728,1.133828481,26.90972034,17.42418124,13.39376003,9.653831246,6.285158372,4.780684418,3.329969195,1.968587777,0.747492232,0.49783375,0.334844001,0.229853125,0.149646628,0.099597592,0.069374358,0.043746395,24.00583893,14.89407113,10.32824489,6.821390611,3.967126226,2.528380266,1.534868304,0.842402261,0.666828859,0.42554489,0.258206122,0.162414062,0.094455386,0.052674589,0.031976423,0.01872005,49.45997313,90.84340859,86.40784314,87.68,55.24096287,707.2036575,0.537608404,0.987428354,0.939215686,0.953043478,0.600445249,7.686996277,8.0939,145.729,301.9080012,394.8345396,603.8160025,16.77266674,301.9080012,9.99E-16,2.78E-17,-124.3424736,5000270.001,138896.3889,55.53000889,1025,0,0,6,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26,3,0,0,0,0,0,0,0,0,0,0,4,0,22,0,0,0,0,0,0,3,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,53.79324065,-0.725486587,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.77253537,1.775979072,0,0,0,0,0,0,0,0,0,0,8.44566369,0,17.95125309,0,0,0,0,0,0,-0.725486587,0,0,-0.71467084,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,36.99652789,16.79671276,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.598904254,-0.241828862,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.257180479,0.591993024,0,0,0,0,0,0,0,0,0,0,1.954120286,0,0.088148148,0,0,0,0,0,0,-0.241828862,0,0,-0.71467084,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.33217596,5.598904254,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.33217596,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.770347222,0.591993024,0,0,0,0,0,0,0,0,0,0,2.163847801,0,1.182476272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.33217596,5.598904254,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,78.75,2.1875,0.770347222,12.33217596,-0.228573468,-0.71467084,12.22822995,1.96467084,5.332175963,45.56956811,1.96467084,5.332175963,45.56956811,16.99998,0.47222,0,0.02778,0.50652,0.82778,0.43091,0.50652,0.82778,0.07561,0,-0.07561,0,0.57047,0.14382,0,0.17647,0.08824,0.02941,24.25,0.67361,19.75,0.54861,4.5,0.125,-15.25,-0.42361,0,0,53.72089,1.49225,71.02436,17.30347,0.48065,14.29785,0.39716,17.42416,3.12631,0.08684,0.48984,0.01361,0.48984,0.01361,0,35.06,6,6,6,6,0,0,0.9,1.219992733,1.94762377,3.220815896,3.910289537,4.078069331,3.970885968,112.2393314,179.1813868,296.3150624,359.7466374,375.1823785,365.321509,0.187013282,0.298552199,0.493720443,0.599410194,0.625129241,0.60869905,5.303569223,4.575938186,3.30274606,2.613272419,2.445492625,2.552675988,0.186128033,0.297138968,0.49138336,0.596572817,0.62217012,0.605817704,10.87400542,19.86611577,24.25108322,26.3211418,25.50277126,26.3822124,131.6344266,88.11773017,70.15062338,57.83804106,60.4846348,57.18998801,36,25.2875,21.62585034,36,3,8,4.1,4.5588,0.387298335,10.14894602,1.368335388,0.598139512,0,11.60162629,4.902128717,0.5,1,0,0.375,2.163374355,0.75,0,0,0,0,0,0,0.003,1.153,1.137,1.341,0.139,16.102,40,42,42,48,48,45,48,42,42,468,3.663561646,3.850147602,3.891820298,3.891820298,4.110873864,4.110873864,4.007333185,4.204692619,3.891820298,3.891820298,6.315358002,1.179487179,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,28,0.8,32,0.914285714,2,10,20,1,6,2.666666667,1.125,1.44,1,0.489795918,0.5625,0.296296296,0.24,0.198347107,0.171428571,0.066666667,0.026785714,0.034285714,0.020833333,0.010204082,0.0125,0.00617284,0.005714286,0.00472255,0.378865568,301.9080012,394.8345396,603.8160025,16.77266674,301.9080012,9.99E-16,2.78E-17,-124.3424736,5000270.001,138896.3889,55.53000889,78.9,572.2679816,6.169925001,5.017279837,5.752572639,6.529418838,7.296413269,8.089175679,8.876404915,9.681655641,10.48355002,11.29858059,144.0250514,4.262679877,0,5.442417711,0,6.787844982,0,8.219056661,0,9.708141545,9.970351493,512.4076895,5.569648799,69.91265339,1.94201815,16.59974449,16.59974449,0,5146,42,10.793,150,1.249758242,2.152780245,2.894335229,3.62443804,4.782870865,5.728116529,6.649445974,7.586573799,8.562349833,9.487611537,96.01222458,106.1685992,114.6463081,146.4945256,210.07829,270.5469346,267.6713194,322.0468553,323.1903953,341.0784199,302.0820507,363.9603352,403.2439166,506.7287053,691.5226447,866.4471059,930.2431208,1061.302535,1206.647386,1313.682113,9.458700443,16.1131827,21.37190423,27.53201414,35.94301899,44.31741548,50.38067674,57.5035168,65.38257756,70.43619107,2.149295177,2.790014429,3.162969539,3.907864955,5.244246189,6.505503338,7.142967257,8.10984318,9.345561271,10.47781168,179.9505284,334.0929891,468.8300189,592.4627656,777.8693181,922.2305526,1084.811464,1238.811753,1395.131245,1533.193837,3.08092033,5.120983554,6.014626635,8.554543271,11.40060085,17.93746204,16.3355657,21.53099937,21.17203179,20.43918926,0.471363626,0.628679772,0.730240108,0.921719544,1.23743411,1.557654598,1.694608167,1.932472004,2.200034161,2.397069585,1029.088724,2906.600642,31.93655714,286.5719503,-809.4056377,-36.47283134,742.5167736,3716.00628,68.40938848,0.782183996,2.209232744,0.02427416,0.217816004,-0.615208506,-0.027722065,1353.931564,3824.100161,42.0176723,377.0314454,-1064.903167,-47.98586988,0.0925741,0.111479683,0.366827656,0.019048889,1211.490902,104.1697719,0.920823223,0.079176777,2627.09574,51.25520208,13.79829101,3169.569761,56.29893214,14.68926633,5923.509631,76.96434,18.09365755,1.706823744,1.195102458,23070.81292,16739.40186,6874.363956,1.378234008,3.356065094,2.435047369,13.03120684,12.73264556,25.45132759,0.998903328,15.65810959,26.41283213,13.56378914,110.2888231,37.38390177,21.66434197,40.47398148,38.22971836,71.82437145,21.09223478,33.54595749,54.32088824,41.54772466,47.37028797,25.34822418,54.36780751,40.12611583,72.70424648,41.15498968,36.63966428,71.15037814,46.85395293,66.71678501,39.15557218,43.76268726,39.36825332,36.36322191,42.90995321,18.13982548,31.66252604,1.363599164,26.61242799,1.213158561,35.50920501,1.176517618,10.19751198,11.38323957,6.883229901,19.32917248,6.142311968,16.83888606,9.731299389,11.76755385,12.19945311,4.206042732,18.81677988,9.287433481,16.1620293,7.188032526,7.913537419,18.7102234,7.162911971,15.58799122,8.796366375,6.489248791,7.932191773,6.120721408,7.894968026,1.930597335,7.57054769,4.259612035,25.78611078,2.956654236,38.51244622,3.532916327,10.11510679,13.43480005,8.572313554,24.28897618,6.818366323,16.4734624,12.21564054,13.11475639,15.79097455,6.112516208,21.45667538,11.22621485,20.51748961,10.38469441,10.53045481,24.78574619,10.86602781,20.16384017,11.09031406,11.90816778,10.888374,9.752610685,11.32173403,3.753603239,10.98650047,14.79532346,26.83671547,14.51734804,107.4975277,34.76215815,21.99478389,42.25270781,37.20834494,71.46426377,21.4478608,33.98869955,53.08956657,42.23787795,47.9585968,24.4789619,55.35896723,40.08012203,74.83175092,39.9123038,35.62912824,69.36388652,44.76520245,66.9056875,37.9275905,41.40890042,38.63520944,34.13371034,41.76483876,17.33969989,30.02415465,6.2551392,25.48765253,3.887361337,43.6394057,6.391122233,10.9784184,15.30310908,11.01067101,28.66139527,7.873856604,17.29875443,16.32978333,15.04646863,18.63745504,7.996755481,24.20740921,13.47345232,24.42593311,13.38450179,12.97075552,29.90840378,14.58258536,24.35061109,13.64630798,16.12983906,13.61340568,13.01514618,14.61525694,5.265822594,13.6842133,18.90950418,26.8161799,18.18722498,144.8489621,54.21615649,26.32923688,52.14730225,51.80523372,92.28999652,27.43413402,41.30475869,71.85795139,54.47362654,60.8178132,33.65338428,67.55859003,52.99003469,95.59363947,54.56440329,48.37585487,89.94144987,62.08427881,86.29264781,51.53902305,55.98727744,51.60641848,46.95218629,55.65027641,24.53303681,39.78771252,10.30537433,26.40673316,12.73074882,95.40623504,22.1593334,20.97696238,46.15158781,31.5087585,68.72367242,24.45168134,34.2594522,77.23151008,44.54176988,54.01512933,22.56628283,51.76010312,43.44384482,76.74193071,33.81911831,29.89957515,59.57494746,32.67273843,64.05222425,31.90138855,29.91027429,38.28340945,26.05607894,38.75854842,11.88487621,22.92908375,39.97558908,15.43645861,0.956538372,0.709182044,0.273848604,0.391931524,0.289832063,0.326938494,56.36858607,670.0852762,1316.716021,0.563773066,1.008702081,32.14321526,13.00913148,0.545172782,0.70339081,0.28467916,0.253539893,0.20611864,0.105069905,45.69751952,442.771144,716.4355589,0.555086215,0.564728439,36.84974784,14.33659747,0.680795515,0.710464222,0.276410021,0.333062359,0.250051183,0.165368776,51.86714082,563.1474358,974.6788481,0.565696333,0.748482318,39.05685585,15.19202361,0.942671177,0.707660057,0.275259953,0.374154677,0.28077616,0.316993217,55.19155064,644.4915312,1259.019547,0.561490085,0.971924054,38.71596288,14.88855944,0.756183511,0.712204934,0.273884586,0.367603425,0.269598776,0.204547294,54.36070583,616.9597704,1107.203492,0.5683074,0.841749496,40.14738039,15.5217207,0.992843282,0.70854223,0.273935546,0.395312951,0.293050775,0.352116881,56.66194437,678.4271181,1353.785733,0.562813344,1.040480607,39.26265511,15.28250537,0.95447852,0.707439829,0.275362248,0.378111138,0.284134318,0.324894272,55.499639,652.0939217,1280.310966,0.561159743,0.987139728 +UMLPP0037,L,nC9 (TMP),CCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC,UML,,-51,0,-6.0911,37.10149921,138.47,113.513924,0,0,110,42,68,0,36,0,6,0,0,0,0,0,0,0,6798.408714,7169.209757,8968.400914,9615.627336,9838.556376,10515.80575,11194.89715,10235.70509,10864.56255,18658.64775,24079.19629,33047.6648,36952.65972,37145.57625,37460.05266,38468.6799,38382.1548,38479.70693,808.424424,815.600444,1552.183792,2142.895152,2284.869984,2131.388592,2141.746656,2238.68886,2233.81428,134.4933015,177.0198731,261.1976247,302.5171126,300.2356961,296.330314,300.3311874,306.0837312,305.8681087,18251.70487,15849.8426,32823.72429,48050.76934,50865.16899,47342.26739,45950.88228,49373.04574,49372.24702,340.6458333,250.5,455.375,562.5,660.625,621.625,798.7083333,675.125,760.125,61.80371558,65.77256658,42.70667102,32.70621543,32.15214502,36.5132144,39.69821683,34.11901697,36.2152085,169.6240704,220.9100577,157.3698324,125.6893188,121.3907721,130.0696273,136.4137585,127.940516,128.2656898,7.349312945,7.482572881,7.39135139,7.28875902,7.466895373,7.400654833,7.594846298,7.4622962,7.4460476,1.222666378,1.624035533,1.243798213,1.028969771,0.981162406,1.028924701,1.06500421,1.020279104,1.019560362,165.9245897,145.4114,156.303449,163.437991,166.2260425,164.3828729,162.9463911,164.5768191,164.5741567,3.096780303,2.298165138,2.168452381,1.913265306,2.158905229,2.158420139,2.832299054,2.250416667,2.53375,0.875212889,-0.474635928,0.087477477,-0.02259529,0.103140148,-0.410415409,0.55315842,-0.450239781,0.209394085,3559.043256,35.42152586,-496.5559766,435.8448599,3.22137572,965.2727918,-224.3433192,-183.143945,689.7672666,5387.266399,-261.0300577,-1580.952664,-215.9180848,513.4513876,1076.07257,-892.667151,84.33534776,482.9030794,6.330012218,0.122326511,2.457132747,0.250858108,0.404305357,-0.438092644,3.401479513,-1.92340554,1.80525715,23.9447714,-2.183764781,-7.464567081,-4.297622983,4.287562139,1.949038189,-3.143069,0.465287511,0.656296151,132.580908,-13.61079231,-40.00119649,-29.17923264,27.024315,5.200345329,-13.88105265,1.759631722,1.71583749,120.1179924,1.773042355,32.5008781,-1.347179752,-19.33959711,-4.161766529,29.92118457,-27.13372934,81.93672521,0.007956481,-0.004354458,4.17E-04,-7.69E-05,3.37E-04,-0.001425054,0.001961555,-0.001500799,6.98E-04,32.35493869,0.324968127,-2.36455227,1.48246551,0.010527372,3.351641638,-0.795543685,-0.610479817,2.299224222,48.97514909,-2.394771171,-7.52834602,-0.734415254,1.677945711,3.736363091,-3.165486351,0.281117826,1.609676931,0.057545566,0.001122262,0.011700632,8.53E-04,0.001321259,-0.001521155,0.012061984,-0.006411352,0.006017524,0.21767974,-0.020034539,-0.035545558,-0.014617765,0.014011641,0.006767494,-0.011145635,0.001550958,0.002187654,1.205280982,-0.124869654,-0.190481888,-0.099249091,0.088314755,0.018056755,-0.049223591,0.005865439,0.005719458,1.091981749,0.016266444,0.154766086,-0.004582244,-0.063201298,-0.014450578,0.106103491,-0.090445764,0.273122417,-0.547284429,0.052354731,-0.009659387,0.042362863,-0.179106006,0.246535463,-0.188626015,0.087724749,0.010043849,-0.073081649,0.045818832,3.25E-04,0.1035898,-0.024588014,-0.018868211,0.071062543,-0.04889768,-0.153717674,-0.014995672,0.034261166,0.076291,-0.064634542,0.00574001,0.032867219,0.019502138,0.203328128,0.014827535,0.022960228,-0.026433922,0.209607534,-0.111413481,0.104569723,-0.092036766,-0.163292907,-0.067152622,0.064368145,0.031089222,-0.051201985,0.007124955,0.010049873,-0.103602111,-0.158039404,-0.082345189,0.073273167,0.014981365,-0.04083993,0.00486645,0.004745332,0.01489626,0.141729554,-0.004196264,-0.057877614,-0.013233351,0.097165993,-0.082827176,0.250116284,1.609280636,0.964663764,1.013691922,1.384323446,1.675360257,1.319864238,1.58163831,1.345631861,1.176668181,1.150474013,0.949899595,1.068727641,0.944587216,1.167943793,1.097637806,0.994398352,1.449594379,1.318787687,1.031860393,0.916802965,0.917301646,1.077489148,0.979216885,0.953891189,0.713494989,0.696396892,0.918455273,1.492847721,1.300095852,1.497496857,1.571652641,1.280338047,1.570649102,1.361833625,1.088414548,0.880623956,0.9632234,1.070404735,0.977931141,0.97668288,1.590654849,1.360697366,1.103033433,0.88279005,0.985957336,1.077856694,0.99109253,0.991087789,0.56090681,0.494411347,0.806935802,1.229382484,1.166695885,1.954558084,1.496364029,1.026259139,779.2018875,390.3509438,509.8591035,780.6304589,18.5864395,390.3509438,1.5,3.62E-16,8.62E-18,-149.3290944,5007654.302,119229.8643,64.79120827,779.3533881,390.4244908,509.9621783,780.7777628,18.58994673,390.4244908,1.495593475,3.10E-16,7.39E-18,-149.9777849,5197995.172,123761.7898,64.94789097,913.9195353,455.7627842,602.0108012,911.6395669,21.70570397,455.7627842,-2.393966868,2.35E-17,5.59E-19,-160.8208637,5157714.087,122802.7164,64.91521694,779.5123915,390.5016801,510.0703593,780.9323618,18.59362766,390.5016801,1.490968801,1.39E-15,3.31E-17,-143.6815831,5058948.121,120451.1457,64.83401038,1057.150161,525.3281978,700.6829729,1050.965623,25.02299101,525.3281978,-6.493765586,1.94E-15,4.63E-17,-142.2733187,5000349.543,119055.9415,64.78507718,795.071375,398.05509,520.6643637,796.0607132,18.9538265,398.05509,1.038805115,1.66E-15,3.95E-17,-142.9338971,5005596.667,119180.873,64.78948215,779.8753452,390.3846034,508.0668915,782.3277456,18.62685109,390.3846034,3.636904762,4.53E-17,1.08E-18,-158.057722,5050371.177,120246.9328,64.82688366,0,11.89,15.99996918,-0.315867816,0.263910801,4.577889069,10.98166936,41,109,106,106,38,3,3,0,0,3,82.960076,3.700656353,3.560889684,3.560889684,3.509528172,3.434981817,3.434981817,3.373831356,3.196866231,1.931308154,1.926658336,1.926658336,1.888383283,1.79414793,1.79414793,1.786558988,1.591929888,3.636786663,3.551191326,3.551191326,3.53398813,3.403055992,3.403055992,3.376667328,3.163064277,1.905056686,1.871420778,1.871420778,1.852640419,1.745474655,1.745474655,1.725803508,1.55279114,3.780343479,3.683236276,3.683236276,3.65706702,3.561021202,3.561021202,3.516893101,3.350987046,1.731064608,1.692825887,1.692825887,1.677080624,1.544470795,1.544470795,1.529078616,1.315932638,3.631344324,3.567347592,3.567347592,3.553415504,3.410963611,3.410963611,3.392766608,3.16528953,1.904231863,1.839055663,1.839055663,1.818354406,1.722389022,1.722389022,1.68859742,1.536154349,3.800913435,3.734170029,3.734170029,3.714819483,3.60420318,3.60420318,3.574613223,3.397821494,1.70179154,1.640238042,1.640238042,1.624108418,1.494130201,1.494130201,1.472381175,1.264930794,5.152521412,5.151008518,5.151008518,3.727441871,3.573924809,3.573924809,3.572617271,3.40609534,1.792713524,1.782750247,1.782750247,1.770228141,1.606888119,1.606888119,1.603680871,1.347330338,0,0,3,0,0,7,25,0,1,0,0,0,0,0,0,0,0,0,0,1.573132185,0.125,0,0,0.883883476,0.125,0,0,2.880074957,3.492225803,3.785674466,1.429849139,1.451918728,1.133828481,31.15236102,20.42418124,15.51508038,11.15383125,7.345818544,5.530684418,3.860299281,2.357839578,0.741722882,0.498150762,0.337284356,0.232371484,0.153037886,0.102420082,0.071487024,0.046232149,28.24847962,17.89407113,12.44956523,8.321390611,5.027786398,3.278380266,2.06519839,1.240149825,0.672582848,0.436440759,0.270642722,0.173362304,0.10474555,0.060710746,0.038244415,0.024316663,58.71093996,108.1704297,102.7607843,104.24,66.03228982,845.373188,0.533735818,0.983367543,0.934188948,0.947636364,0.600293544,7.6852108,10.4345,173.431,417.8872292,547.5774416,835.7744583,19.89939187,417.8872292,6.94E-16,1.65E-17,-146.5950961,5014555.207,119394.1716,64.79699219,1441,0,0,6,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,32,3,0,0,0,0,0,0,0,0,0,0,4,0,28,0,0,0,0,0,0,3,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,54.58145649,-0.693938181,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.23763314,1.775979072,0,0,0,0,0,0,0,0,0,0,8.599170001,0,25.98410778,0,0,0,0,0,0,-0.693938181,0,0,-0.720796088,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,37.55005916,17.03139733,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.677132444,-0.231312727,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.240587574,0.591993024,0,0,0,0,0,0,0,0,0,0,1.970649087,0,0.09151833,0,0,0,0,0,0,-0.231312727,0,0,-0.720796088,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.51668639,5.677132444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.51668639,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.770347222,0.591993024,0,0,0,0,0,0,0,0,0,0,2.209506971,0,1.272206654,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.51668639,5.677132444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,87.75,2.089285714,0.770347222,12.51668639,-0.265930901,-0.720796088,16.16043163,1.970796088,5.516686387,47.41995481,1.970796088,5.516686387,47.41995481,19.99998,0.47619,0,0.02381,0.49455,0.80952,0.43125,0.49455,0.80952,0.0633,0,-0.0633,0,0.58823,0.12606,0,0.15,0.075,0.025,27.25,0.64881,22.75,0.54167,4.5,0.10714,-18.25,-0.43452,0,0,67.08396,1.59724,85.50596,18.422,0.43862,17.29785,0.41185,20.42416,3.12631,0.07444,0.48984,0.01166,0.48984,0.01166,0,41.06,6,6,6,6,0,0,0.916666667,1.185227457,1.83745602,3.016435507,3.723690914,4.1082327,4.114309569,130.3750202,202.1201622,331.8079058,409.6060006,451.905597,452.5740525,0.174777258,0.270956873,0.444812786,0.549106827,0.605812532,0.606708646,5.596132257,4.943903694,3.764924206,3.057668799,2.673127014,2.667050145,0.174109837,0.269922171,0.443114182,0.547009956,0.603499119,0.604391811,10.42200089,18.46664808,22.65215559,25.14461553,26.13173955,25.16502276,154.0696169,109.4659506,89.94457449,72.63879528,65.34955863,70.7020343,42,31.00189036,27.08333333,42,3,10,4.76,5.4042,0.327326835,10.90040138,1.196279025,0.52169486,0,12.79900917,5.201418984,0.5,1,0,0.375,2.163374355,0.75,0,0,0,0,0,0,0.003,1.153,1.137,1.341,0.139,19.096,46,48,48,54,54,51,54,51,51,540,3.80666249,3.970291914,4.007333185,4.007333185,4.204692619,4.204692619,4.110873864,4.290459441,4.110873864,4.110873864,6.447305863,1.166666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,34,0.829268293,38,0.926829268,2,12,24,1,6,2.666666667,1.125,1.44,1,0.489795918,0.5625,0.37037037,0.3,0.198347107,0.146341463,0.057971014,0.0234375,0.03,0.018518519,0.009070295,0.011029412,0.006858711,0.005882353,0.003889159,0.333800092,417.8872292,547.5774416,835.7744583,19.89939187,417.8872292,6.94E-16,1.65E-17,-146.5950961,5014555.207,119394.1716,64.79699219,78.9,676.0438893,6.392317423,5.164785974,5.894402834,6.66057515,7.418780883,8.200562797,8.978282203,9.77320801,10.5662013,11.37215652,157.0289557,4.418840608,0,5.587248658,0,6.914730893,0,8.326274787,0,9.796069366,10.06428751,596.5015899,5.422741726,81.91229538,1.950292747,16.60829598,16.60829598,0,8293,48,14.207,174,1.249743119,2.154178463,2.891291614,3.624633116,4.816381476,5.77724115,6.767551623,7.736220611,8.769260722,9.695434207,93.7348646,101.2681595,107.7976626,138.8565412,195.0847889,248.7473416,252.5852275,301.9544599,327.8603352,363.2567471,301.7613423,361.6681683,394.9112599,502.5663125,677.6501136,844.4801496,922.8257016,1054.801579,1193.570134,1319.779923,9.401009803,15.99694378,21.15071022,27.18139106,35.73097356,43.88058412,50.53171062,57.78007753,65.86303608,72.97618706,2.16461768,2.808544923,3.149182127,3.948040296,5.265388789,6.509514208,7.255795306,8.265116785,9.345786017,10.31580935,179.6261437,333.3238456,468.841663,590.2525998,782.9385817,930.8266748,1103.354818,1261.860227,1431.527207,1583.255402,2.944571101,4.826098954,5.64745611,7.968603835,10.56919189,16.12217986,15.22350102,19.46316272,20.33965839,23.13538173,0.470088578,0.625583947,0.71683462,0.914027051,1.21931523,1.525482767,1.687783206,1.92903104,2.190334857,2.42433797,1249.866766,3929.014153,37.6782372,312.9491468,-983.770159,-37.78112228,936.9176189,4912.784311,75.45935948,0.799753033,2.514060755,0.024109197,0.200246967,-0.62948563,-0.02417503,1953.31167,6140.325838,58.88414864,489.0819064,-1537.451659,-59.0449391,0.083176793,0.100163248,0.329590544,0.102691281,1459.472028,103.3438848,0.933873283,0.066126717,2999.585155,54.76846862,14.42183088,3658.303608,60.48391198,15.40848412,6705.762779,81.88872193,18.85743974,1.759373465,1.2057997,38479.34051,27992.8169,11070.95192,1.374614804,3.475702974,2.52849232,15.51400619,15.21384842,30.40736389,0.998663524,19.00491623,32.10393598,15.34178418,140.1260897,49.23299966,21.66443581,45.23985993,39.0578832,98.01076268,21.27710529,33.54839395,81.61624541,42.24436232,83.53228992,25.89475745,53.58528726,51.87497208,73.28136137,61.24958181,39.68423201,81.37617389,38.40650016,77.38530809,44.78166021,47.77890791,73.26533624,60.26059214,77.35752807,50.70745397,55.37784756,1.644473454,32.30327921,1.345860153,41.58956061,1.260915683,10.19760506,12.11859398,6.889064867,25.8028854,6.14361419,16.84132251,11.60547871,11.77246033,19.09988739,4.209892012,18.76837181,9.773689225,15.58836249,14.25783634,8.008010304,23.40096034,8.40923118,16.89395982,10.0781826,6.770797482,17.42372554,10.87644223,18.61561851,9.505841525,11.17964919,5.166308481,31.47697935,3.395912177,46.19967594,4.404998133,10.11519991,14.99277937,8.633101646,33.25662125,6.831935194,16.47589885,18.46497459,13.16588566,27.14173093,6.152628663,21.26916155,13.18109811,19.97600024,18.89402768,11.17026118,29.0894221,10.06910701,22.70373896,13.11980934,12.18704884,24.61984898,15.32116387,23.91697042,13.37947956,17.31288046,17.95443592,32.52779174,16.18425999,134.7333531,45.32014097,21.99487765,46.77180828,37.94622637,95.90265021,21.61257721,33.99113602,78.54074441,42.85856957,81.79058546,24.96591321,54.62518613,50.67463305,73.1761358,60.84689569,37.94196104,80.67059573,37.36866532,78.91318828,43.10967373,44.77380621,70.87972389,57.65711041,76.52718348,48.88414597,52.69069323,7.591442937,31.17854317,4.545755365,53.39244513,8.28307773,10.97851159,17.42582163,11.14270562,39.79528944,7.903329602,17.30119088,25.82417275,15.15752823,33.49530584,8.083885088,23.92121479,16.72642451,24.4967682,22.95853639,14.13643031,34.34499372,12.48153815,27.39469807,16.26350393,16.67258882,30.46585239,19.84495436,28.85408052,17.12009788,22.11850417,22.95125789,32.50739957,20.388273,185.6205947,71.49387343,26.32933107,57.826925,53.01302735,125.5629646,27.70374976,41.30719516,106.3083782,55.48960711,106.2183921,34.45045169,66.59128428,68.66878249,96.24027822,79.01074435,52.04967338,102.2547675,50.64743212,100.7881254,58.3522361,62.12014312,92.24755629,79.62288704,100.3143718,66.77798755,70.60027231,12.52719787,32.07572258,13.9836663,112.212515,27.37120588,21.31402239,49.93347296,32.35413719,85.34166992,24.92019654,34.81204148,94.03407344,45.54263167,76.52467362,23.15264763,52.00534793,46.34218101,67.76556097,63.94823238,30.53656475,71.34469708,35.57466225,78.87076412,34.39781346,28.79765529,59.74246175,45.76192445,69.57822602,41.55284905,38.87367837,56.32214819,21.17323683,0.913402533,0.718314234,0.270036529,0.390151926,0.282956215,0.33277766,78.40878756,1263.306664,2430.968234,0.577471351,1.005885801,46.44520951,18.21650529,0.50120565,0.712755186,0.279553236,0.265498146,0.209829311,0.099059418,65.16292046,878.4782217,1367.695908,0.56913278,0.574386874,52.48166597,19.87948976,0.638827139,0.7189271,0.272321841,0.33880567,0.24952527,0.162468856,72.99998288,1089.535012,1829.028933,0.57839065,0.750799796,55.18170428,20.87598562,0.900949247,0.717030666,0.271262406,0.374546233,0.275130642,0.323237752,76.95863915,1220.496583,2335.323948,0.575545999,0.972914627,54.80536624,20.54727736,0.71355452,0.720495668,0.270123627,0.369414265,0.266464957,0.203231212,76.06619812,1179.86928,2059.46998,0.580743502,0.839110434,56.52698673,21.26950011,0.949712662,0.717837649,0.270101925,0.392998631,0.28554085,0.359676029,78.7461995,1276.185059,2496.771505,0.576756474,1.03821551,55.4221721,20.97513113,0.911408026,0.71689427,0.271316528,0.377819192,0.277751185,0.330684796,77.30871126,1232.116443,2368.925434,0.575341405,0.986255173 +UMLPP0038,L,nC8 (TMP),CCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC,UML,,-43,0,-5.2271,27.32257441,129.7352,104.233166,0,0,101,39,62,0,33,0,6,0,0,0,0,0,0,0,6359.519967,6663.774866,8387.275303,9025.357149,9248.286189,9925.535559,10604.62696,9645.434904,10274.29236,17201.59457,22120.22588,30307.02347,33932.26468,34125.18121,34439.65763,35448.28486,35361.75977,35459.31189,745.492092,750.273104,1423.995268,1954.240452,2096.215284,1942.733892,1953.091956,2050.03416,2045.15958,123.4589241,161.9719072,238.1345543,275.452526,273.1711096,269.2657274,273.2666008,279.0191446,278.8035221,16761.81589,14550.72424,30051.11769,43613.90388,46428.30353,42905.40192,41514.01681,44936.18027,44935.38155,327.8958333,234.75,427.625,525.75,623.875,584.875,761.9583333,638.375,723.625,62.96554423,66.63774866,43.68372554,33.80283576,33.14797917,38.02887187,41.58677239,35.33126338,37.63477056,170.3128176,221.2022588,157.8490806,127.0871336,122.3124775,131.9527112,139.0128818,129.5302556,129.8875893,7.381109822,7.50273104,7.416642021,7.319252629,7.51331643,7.443424874,7.659184141,7.509282637,7.491427033,1.222365585,1.619719072,1.240284137,1.031657401,0.97910792,1.031669454,1.071633729,1.022048149,1.021258323,165.9585732,145.5072424,156.516238,163.3479546,166.4096901,164.3885131,162.8000659,164.6013929,164.5984672,3.246493399,2.3475,2.227213542,1.969101124,2.236111111,2.240900383,2.988071895,2.338369963,2.650641026,0.862484378,-0.474635929,0.093841704,-0.02259605,0.103126588,-0.410573092,0.552081506,-0.452870324,0.223613808,3311.382822,35.49766448,-373.0511759,412.6630692,-23.63297724,935.3131015,-279.553606,-219.3999822,656.5208824,4935.38521,-259.6956792,-1349.859882,-226.4550346,509.4872503,1065.728315,-915.2502786,72.46681333,472.0292634,6.250740356,0.10893034,2.439555798,0.156545236,0.208138778,-0.594499337,3.150373952,-2.119533518,1.625309809,21.93190639,-2.183310287,-6.456318477,-4.298978989,4.288845106,1.948419145,-3.145428757,0.464763315,0.655818758,121.6448061,-13.62467486,-34.58893509,-29.14935616,26.97151471,5.204240843,-13.83653768,1.757455933,1.713741581,119.0090759,1.504215273,32.31319233,-2.790700667,-22.22123444,-6.768503088,24.87972584,-30.55671013,79.14130968,0.008539449,-0.004746359,4.89E-04,-8.46E-05,3.70E-04,-0.001573077,0.002165026,-0.001658866,8.19E-04,32.78596854,0.354976645,-1.942974875,1.545554566,-0.084706012,3.583575102,-1.096288651,-0.803662939,2.404838397,48.8652001,-2.596956792,-7.030520219,-0.848146197,1.826119177,4.083250249,-3.589216779,0.265446203,1.729044921,0.061888518,0.001089303,0.01270602,5.86E-04,7.46E-04,-0.002277775,0.012354408,-0.007763859,0.005953516,0.217147588,-0.021833103,-0.033626659,-0.016101045,0.015372205,0.007465207,-0.012335015,0.00170243,0.002402267,1.20440402,-0.136246749,-0.180150704,-0.109173619,0.096672096,0.01993962,-0.054260932,0.006437568,0.006277442,1.178307682,0.015042153,0.168297877,-0.010452062,-0.079646002,-0.025932962,0.097567552,-0.111929341,0.289894907,-0.555815618,0.057235409,-0.009910405,0.043284916,-0.184212931,0.253532218,-0.194259091,0.095919323,0.01082709,-0.059262391,0.047140732,-0.002583606,0.109302097,-0.033437739,-0.024512405,0.073349622,-0.053145322,-0.143875809,-0.017356855,0.037370545,0.083561517,-0.073451388,0.005432214,0.035383973,0.017601058,0.20530496,0.009473676,0.012054209,-0.036804488,0.199623581,-0.125449102,0.09619742,-0.100544994,-0.154856239,-0.074147933,0.070791506,0.034378496,-0.056804751,0.007839966,0.011062828,-0.113123791,-0.149576638,-0.090645346,0.080265504,0.016555591,-0.045052101,0.005345023,0.005212073,0.012765895,0.142830162,-0.008870402,-0.067593552,-0.022008651,0.08280312,-0.094991608,0.246026493,1.610893396,0.959208713,1.022567829,1.397620438,1.704167484,1.341987769,1.60306694,1.355876042,1.154990266,1.126521027,0.949203493,1.077172351,0.94371205,1.187561069,1.109011814,0.997144893,1.445473565,1.301940941,1.035325854,0.908867738,0.908781078,1.085951691,0.977349362,0.94947911,0.711161198,0.695798244,0.931068854,1.513016127,1.324105403,1.529657484,1.596242738,1.298824607,1.577134254,1.348533257,1.097313386,0.868735906,0.95910986,1.077699388,0.975548452,0.974174499,1.598832966,1.347686319,1.113474485,0.871485615,0.984540998,1.086130493,0.990241918,0.990236708,0.559831252,0.49417041,0.818045751,1.244031803,1.187266576,1.996572886,1.51802353,1.038894047,661.9877113,331.7438557,432.8434192,663.4107883,17.01053303,331.7438557,1.5,1.72E-15,4.41E-17,-132.5842461,5000329.17,128213.5685,60.15755578,662.1279772,331.8117853,432.9385231,663.5468736,17.0140224,331.8117853,1.495593475,1.51E-15,3.88E-17,-133.0870875,5000917.1,128228.6436,60.15801431,786.7592075,392.1826203,517.880705,784.4880082,20.11507713,392.1826203,-2.393966868,1.82E-16,4.66E-18,-141.3520177,5008081.286,128412.3407,60.16359735,662.2751896,331.8830792,433.0383386,663.6896985,17.01768458,331.8830792,1.490968801,6.96E-16,1.79E-17,-136.1118569,5003562.026,128296.4622,60.16007643,919.4579919,456.4821132,608.9155399,913.29724,23.41787795,456.4821132,-6.493765586,1.46E-15,3.74E-17,-133.2242032,1.60E+07,410260.0148,64.69362146,676.6812006,338.8600029,442.8134919,677.6667337,17.37607009,338.8600029,1.038805115,8.96E-16,2.30E-17,-135.1295726,5009800.734,128456.4291,60.16493612,662.3744533,331.65496,431.1452866,664.7975277,17.04609045,331.65496,3.633766234,1.39E-15,3.56E-17,-133.4231805,5000330.566,128213.6043,60.15755687,0,11.89,15.99996461,-0.315867816,0.263874043,4.575356262,10.9798264,38,100,97,97,35,3,3,0,0,3,76.400834,3.700618961,3.558031775,3.558031775,3.498846467,3.407656196,3.407656196,3.345297034,3.126588591,1.925044333,1.918031751,1.918031751,1.88456222,1.761600234,1.761600234,1.754177295,1.533084388,3.63658842,3.542555093,3.542555093,3.522301962,3.368435918,3.368435918,3.339541538,3.088613748,1.904122373,1.863646797,1.863646797,1.843138903,1.716156509,1.716156509,1.694929217,1.494853413,3.780228049,3.677256807,3.677256807,3.645958817,3.533527033,3.533527033,3.4860744,3.28820849,1.730147415,1.683386294,1.683386294,1.666442249,1.508845731,1.508845731,1.492117447,1.244678897,3.630977216,3.557613733,3.557613733,3.541712936,3.373574145,3.373574145,3.353532905,3.088186746,1.903986404,1.832500995,1.832500995,1.808027555,1.696286365,1.696286365,1.659339326,1.481309518,3.800625785,3.726613586,3.726613586,3.703932261,3.574514219,3.574514219,3.542138562,3.335790805,1.70140426,1.631300643,1.631300643,1.612792547,1.459756268,1.459756268,1.435882851,1.194244827,5.13868696,5.137141544,5.137141544,3.722835311,3.5598661,3.5598661,3.558201953,3.361349903,1.791891742,1.772988553,1.772988553,1.764036817,1.563205511,1.563205511,1.559738376,1.262323831,0,0,3,0,0,7,22,0,1,0,0,0,0,0,0,0,0,0,0,1.573132185,0.125,0,0,0.883883476,0.125,0,0,2.880074957,3.492225803,3.785674466,1.429849139,1.451918728,1.133828481,29.03104068,18.92418124,14.4544202,10.40383125,6.815488458,5.155684418,3.595134238,2.170339578,0.744385658,0.498004769,0.336149307,0.23119625,0.151455299,0.101091851,0.070492828,0.045215408,26.12715927,16.39407113,11.38890506,7.571390611,4.497456312,2.903380266,1.800033347,1.052649825,0.669927161,0.431422925,0.264858257,0.168253125,0.099943474,0.056929025,0.035294772,0.021930205,54.08545654,99.50691916,94.58431373,95.96,60.63662635,776.2884228,0.53549957,0.985217021,0.936478354,0.95009901,0.600362637,7.686023988,9.2642,159.58,357.4117874,467.8893483,714.8235749,18.32880961,357.4117874,4.35E-16,1.12E-17,-137.9438998,5005608.88,128348.9456,60.16167151,1224,0,0,6,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,29,3,0,0,0,0,0,0,0,0,0,0,4,0,25,0,0,0,0,0,0,3,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,54.21946837,-0.707977533,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.51587042,1.775979072,0,0,0,0,0,0,0,0,0,0,8.532076668,0,21.92433164,0,0,0,0,0,0,-0.707977533,0,0,-0.717899145,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,37.29556724,16.92390113,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.641300375,-0.235992511,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.247778349,0.591993024,0,0,0,0,0,0,0,0,0,0,1.962996026,0,0.090043201,0,0,0,0,0,0,-0.235992511,0,0,-0.717899145,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.43185575,5.641300375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.43185575,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.770347222,0.591993024,0,0,0,0,0,0,0,0,0,0,2.189693547,0,1.234743175,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.43185575,5.641300375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,83.25,2.134615385,0.770347222,12.43185575,-0.24877755,-0.717899145,14.17732451,1.967899145,5.431855747,46.57709802,1.967899145,5.431855747,46.57709802,18.49998,0.47436,0,0.02564,0.5,0.81795,0.43109,0.5,0.81795,0.06891,0,-0.06891,0,0.57994,0.13435,0,0.16216,0.08108,0.02703,25.75,0.66026,21.25,0.54487,4.5,0.11538,-16.75,-0.42949,0,0,60.33843,1.54714,78.22389,17.88546,0.4586,15.79785,0.40507,18.92416,3.12631,0.08016,0.48984,0.01256,0.48984,0.01256,0,38.06,6,6,6,6,0,0,0.909090909,1.201429778,1.889446814,3.115992591,3.824979799,4.111181938,4.050533107,121.3444076,190.8341282,314.7152517,386.3229597,415.2293758,409.1038438,0.180443319,0.28377693,0.467992433,0.574475564,0.617460402,0.608351525,5.456781705,4.768764668,3.542218892,2.833231684,2.547029545,2.607678376,0.179679905,0.282576335,0.466012465,0.57204509,0.614848069,0.605777729,10.63336425,19.12689035,23.43010077,25.80381349,25.84578421,25.7846608,142.8120068,98.67783327,79.75218684,64.35338472,62.63824715,63.4729124,39,28.13520822,24.32,39,3,9,4.43,4.9815,0.354787438,10.5530095,1.275270256,0.55687533,0,12.238264,5.059954304,0.5,1,0,0.375,2.163374355,0.75,0,0,0,0,0,0,0.003,1.153,1.137,1.341,0.139,17.599,43,45,45,51,51,48,51,48,45,504,3.737669618,3.912023005,3.951243719,3.951243719,4.158883083,4.158883083,4.060443011,4.248495242,4.060443011,3.951243719,6.383506635,1.172619048,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,31,0.815789474,35,0.921052632,2,11,22,1,6,2.666666667,1.125,1.44,1,0.489795918,0.5625,0.37037037,0.24,0.198347107,0.157894737,0.062015504,0.025,0.032,0.019607843,0.009603842,0.01171875,0.007262164,0.005,0.004407713,0.354883658,357.4117874,467.8893483,714.8235749,18.32880961,357.4117874,4.35E-16,1.12E-17,-137.9438998,5005608.88,128348.9456,60.16167151,78.9,624.1559355,6.285402219,5.093750201,5.826000107,6.597145702,7.359467638,8.146419323,8.928640371,9.728479189,10.52580983,11.33608088,150.5417932,4.343805422,0,5.517452896,0,6.853299093,0,8.274102002,0,9.753071557,10.01842209,554.4546397,5.489649898,75.91241469,1.946472172,16.60544548,16.60544548,0,6592,45,12.5,162,1.24975,2.153544896,2.892659531,3.624545017,4.801359478,5.755279555,6.714339188,7.668793428,8.673844961,9.582042532,94.77106339,103.4886712,110.8757055,142.3059535,201.8060135,258.493042,259.3822579,310.9815474,336.904134,347.8935769,301.9072646,362.7068064,398.6562742,504.4461028,683.8688345,854.3006713,926.1676158,1057.678957,1196.631084,1327.560329,9.427259044,16.04961454,21.25012326,27.33973697,35.82602841,44.07587343,50.46366238,57.65541667,65.63661293,72.6725582,2.157645941,2.800148293,3.155378716,3.929896594,5.255911072,6.507721113,7.204960691,8.19490749,9.258479261,10.3967331,179.7737387,333.6723637,468.8364297,591.2507392,780.6661532,926.9837025,1095.00012,1251.475945,1416.271665,1561.90737,3.00661,4.959718539,5.812476571,8.233221645,10.94189246,16.93371778,15.72061955,20.23256942,21.40057339,22.81178452,0.470668725,0.626986743,0.722859558,0.91750108,1.227437487,1.539865468,1.690858188,1.930534255,2.191276207,2.429843377,1104.98453,3297.267006,34.26425341,281.1524985,-838.9573172,-36.30575319,823.8320316,4136.224323,70.5700066,0.797168323,2.378745346,0.02471924,0.202831677,-0.605248471,-0.026192038,1531.659973,4570.46389,47.49495041,389.7158888,-1162.909803,-50.32474884,0.087624212,0.105518924,0.446417454,0.090151774,1278.769778,107.3672505,0.922542109,0.077457891,2813.340447,53.04093181,14.11694632,3413.936684,58.42890282,15.05746356,6316.315924,79.47525353,18.48507774,1.745673435,1.166079212,30177.80636,21882.24716,8848.833074,1.379099968,3.4103713,2.472896366,14.28777116,13.98744876,27.97458751,0.999977836,17.33151291,29.25838406,14.45278666,125.2074564,43.30845071,21.66438889,42.8569207,38.64380078,84.91756706,21.18467003,33.54717572,67.96856683,41.91274657,65.63718008,25.89455291,53.57904094,42.70665778,74.3705569,44.28855267,40.3645151,77.01959168,37.8117223,71.32057266,45.09003167,48.22102868,49.16961956,55.80467793,63.75902905,35.10744707,49.83400822,1.504036309,29.4578536,1.279509357,38.54938281,1.218716651,10.19755852,11.75091678,6.886147384,22.56602894,6.142963079,16.84010428,10.66838905,11.77012473,15.6509795,4.20989057,18.76225396,9.46759142,15.73191123,10.63820277,8.316653299,22.92711935,6.741150418,16.15175144,10.0210819,6.727949566,13.99760849,11.1098478,12.03605003,3.917342138,9.408102086,4.712960258,28.63154506,3.176283206,42.35606108,3.96895723,10.11515335,14.21378971,8.6027076,28.77279872,6.825150759,16.47468063,15.34030756,13.14154694,21.4799961,6.152613648,21.26303449,11.89657797,20.2416846,12.89570867,11.76788658,27.95406012,9.264271345,21.51430473,12.99874102,12.22518046,17.77916724,15.771706,17.36977012,7.697638363,14.63840521,16.37487969,29.68225361,15.35080401,121.1154404,40.04114956,21.99483077,44.51225804,37.57728566,83.68345699,21.53021901,33.98991779,65.81515549,42.56310591,65.04021679,24.96573096,54.6189537,42.34267659,74.56160922,43.62720734,39.21573759,76.14862334,36.49787946,71.01809356,43.34507884,44.89251906,47.726249,53.75375838,63.04178568,32.80075296,47.0637645,6.923291069,28.33309785,4.216558351,48.51592541,7.337099982,10.97846499,16.36446535,11.07668832,34.22834235,7.888593103,17.29997265,21.07697804,15.10466127,26.09601564,8.083852477,23.91507636,14.52364212,24.77118882,15.52857916,14.73202512,32.83039165,11.98801811,26.31086571,16.13958792,16.84451274,21.19638515,20.13389104,21.91610531,10.93125839,18.93136063,20.93038104,29.66178973,19.28774899,165.2347784,62.85501496,26.32928398,54.98711363,52.40913053,108.9264806,27.56894189,41.30597692,89.08316478,55.0059767,83.78920741,34.45015339,66.58497974,56.07020176,97.7628018,58.12761944,52.58869117,96.67899754,50.10687277,91.81775005,58.98264536,62.62903353,61.93324343,72.05556905,83.37026642,46.72726003,64.36012872,11.41588331,29.24028349,13.3621053,103.819256,24.76283264,21.15981002,48.06303505,31.95172749,77.02347052,24.70235471,34.55912271,85.62922496,45.07836313,65.36709297,22.98509558,51.62352994,41.75649021,70.47626836,45.1332645,35.11031758,68.87973951,28.31459411,63.50721562,34.90262454,28.06001476,44.27029089,45.8526384,55.89625994,22.93731494,31.76372023,47.85414623,18.39150854,0.923493467,0.712442356,0.273808869,0.39007278,0.28531618,0.326945633,67.16914824,941.2873686,1821.232296,0.568663534,1.002334594,38.97284289,15.58453507,0.509660789,0.707734496,0.283010226,0.258880126,0.205225741,0.097880329,55.06703875,635.179393,999.8009589,0.561601743,0.561986196,44.35748727,17.13988445,0.648276209,0.713766591,0.275801846,0.335189912,0.247880187,0.160305923,62.14564793,800.1494894,1355.168004,0.570649887,0.743376022,46.8217346,18.1100618,0.910042423,0.711124346,0.27505401,0.373454194,0.276712299,0.316920539,65.84183883,907.0351968,1744.54251,0.56668652,0.967087032,46.45893232,17.77527611,0.723861527,0.715214174,0.273642307,0.36765055,0.266497887,0.200603069,64.95806996,872.317022,1535.054671,0.57282126,0.834751507,48.04357064,18.48699996,0.959694161,0.711859271,0.273920987,0.393170722,0.288294595,0.353123326,67.49026476,952.0304885,1871.903341,0.567788906,1.034588643,47.04586056,18.20913066,0.920861579,0.710921863,0.275162765,0.377039725,0.279751473,0.324507175,66.1758528,916.7550362,1771.800057,0.566382795,0.981298373 +UMLPP0039,L,Oleic (TMP),CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCC,UML,stereochemistry (Z),-39,0,-6.3221,39.96894841,228.1642,180.665644,0,0,173,65,108,0,59,0,6,0,0,0,0,0,0,0,10157.12606,10971.56806,13272.31583,13974.4097,14194.29055,14871.53992,15550.63132,14591.43927,15220.29672,29642.88626,38409.54968,52495.90651,58079.42362,58179.08892,58493.56533,59502.19257,59415.66748,59513.2196,1250.594852,1273.737592,2409.240108,3362.748524,3484.567964,3331.086572,3341.444636,3438.38684,3433.51226,216.4225177,285.7063455,421.9842889,487.3128737,483.6976185,479.7922363,483.7931097,489.5456535,489.3300311,28564.68114,24891.01469,51133.39838,76345.99665,78605.64334,75082.74173,73691.35662,77113.52008,77112.72136,442.8958333,375,662.125,826.25,921.375,882.375,1059.458333,936.125,1021.125,58.71171131,63.7881864,40.21913886,29.85984979,29.75742254,32.39986911,34.32810446,30.9797012,32.31485504,171.3461634,223.3113354,159.0785046,124.1013325,121.9687399,127.4369615,131.3514185,126.147914,126.355031,7.228871977,7.405451116,7.3007276,7.185360094,7.305173929,7.25726922,7.376257475,7.300184374,7.289834947,1.250997212,1.661083404,1.278740269,1.041266824,1.014041129,1.04529899,1.06797596,1.039375061,1.038917263,165.1137638,144.7152017,154.9496921,163.1324715,164.7917051,163.578958,162.6740764,163.7229726,163.7212768,2.560091522,2.180232558,2.006439394,1.765491453,1.931603774,1.922385621,2.338760118,1.987526539,2.167993631,1.004761858,-0.474277773,0.021215489,-0.023487452,0.104747338,-0.408295238,0.560529738,-0.441916715,0.148903178,5333.455311,35.223903,-1351.855084,493.6509264,14.66980096,982.9478687,-151.6593038,-151.3312167,715.0010996,8675.031987,-260.1061674,-3153.834857,-176.9189829,468.4156243,1026.625768,-950.5835831,33.83012487,433.0863654,6.785095491,0.171920228,2.432160623,0.549598208,1.065111507,0.06594928,4.256592315,-1.265482037,2.40272735,38.67915424,-2.140062171,-14.33577559,-4.149471243,4.330790914,1.806657899,-3.454034815,0.333523226,0.529044895,212.7358236,-13.2788413,-76.97130492,-28.28018971,28.01583377,4.811769535,-15.25076604,1.529981558,1.484270915,128.4128131,2.746124161,29.69087674,0.421551839,-13.48178815,0.749386047,42.21119845,-19.41364145,89.18101173,0.005807872,-0.002757429,6.43E-05,-5.02E-05,2.20E-04,-8.90E-04,0.001237372,-9.38E-04,3.16E-04,30.82922145,0.204790134,-4.096530557,1.054809672,0.0307543,2.141498625,-0.33478875,-0.3212977,1.518049044,50.14469357,-1.51224516,-9.557075324,-0.378032015,0.982003405,2.236657447,-2.098418506,0.071826167,0.91950396,0.039220205,1.00E-03,0.007370184,0.001174355,0.002232938,1.44E-04,0.009396451,-0.002686798,0.005101332,0.223578926,-0.012442222,-0.043441744,-0.008866392,0.009079226,0.003936074,-0.007624801,7.08E-04,0.001123238,1.229686841,-0.077202566,-0.233246379,-0.060427756,0.058733404,0.010483158,-0.03366615,0.003248368,0.003151318,0.742270596,0.015965838,0.089972354,9.01E-04,-0.028263707,0.001632649,0.093181454,-0.041217922,0.189343974,-0.474774394,0.011069349,-0.008641179,0.037810078,-0.15315973,0.213050922,-0.161548334,0.05443347,0.006642728,-0.132878171,0.034214606,9.98E-04,0.069463273,-0.010859462,-0.010421856,0.04924059,-0.030157631,-0.190589964,-0.007538824,0.019583396,0.04460407,-0.041847269,0.001432378,0.018337014,0.025485237,0.18791803,0.029942606,0.056933363,0.003663427,0.239581894,-0.068505465,0.130068977,-0.055650245,-0.194301605,-0.039656651,0.040608596,0.017604852,-0.034103397,0.003167191,0.005023897,-0.062782298,-0.189679495,-0.049140768,0.047762896,0.008525063,-0.027377824,0.002641623,0.0025627,0.021509458,0.121212337,0.001213509,-0.038077363,0.002199534,0.125535693,-0.05552951,0.255087531,1.566297541,1.024327283,1.008077137,1.350274197,1.579570038,1.263883349,1.514603089,1.335698486,1.239184121,1.244166165,0.962055911,1.049336316,0.964334813,1.110345181,1.067757777,0.998515299,1.419233886,1.363436299,1.01672114,0.950645972,0.953001002,1.051436532,0.990267986,0.974460563,0.735546317,0.725270018,0.900779648,1.460252112,1.253288404,1.425443289,1.524751179,1.251593683,1.492724454,1.389047941,1.050444292,0.927156609,0.980408496,1.046109943,0.988554254,0.987777576,1.505288167,1.387315205,1.059232058,0.927589243,0.993579435,1.050157585,0.996185557,0.996182588,0.586974136,0.538478,0.80691368,1.221668452,1.140357752,1.856592923,1.464409323,1.019946949,1955.441701,978.4708505,1297.689288,1956.895547,30.10608534,709.7827129,1.5,1.03E-16,1.58E-18,-239.2903902,2.40E+07,369237.4772,110.4582866,1955.679473,978.5875331,1297.85463,1957.129048,30.10967766,709.7827129,1.495593475,1.25E-15,1.92E-17,-223.070353,2.40E+07,369237.4761,110.4582866,2166.449669,1082.027851,1445.167249,2164.129362,33.29429788,709.7827129,-2.393966868,9.07E-17,1.40E-18,-240.1000353,2.40E+07,369236.7786,110.4582743,1955.929018,978.7099935,1298.028163,1957.374111,30.11344786,709.7827129,1.490968801,5.68E-17,8.74E-19,-243.1452496,2.40E+07,369237.4749,110.4582866,2390.23884,1191.872537,1602.822318,2383.944882,36.67607511,709.7827129,-6.493765586,1.60E-15,2.46E-17,-221.4493998,2.40E+07,369236.42,110.458268,1980.340728,990.6897664,1315.015296,1981.34757,30.4822703,709.7827129,1.038805115,1.66E-16,2.55E-18,-236.1830164,2.40E+07,369237.3617,110.4582846,2005.18906,1002.932138,1329.055083,2007.708663,30.88782559,709.7827129,3.21125908,3.11E-16,4.78E-18,-232.097349,2.40E+07,369237.5436,110.4582878,0,11.89,16.00000451,-0.315867816,0.264218617,4.581085308,10.98400348,64,172,166,166,58,6,6,0,0,6,126.688356,3.700753725,3.586462542,3.585948375,3.576166411,3.535437065,3.533826196,3.483047547,3.446504752,1.94740087,1.946669012,1.944529502,1.911454352,1.9044719,1.899332747,1.882260018,1.813717412,3.63795502,3.603776194,3.602961471,3.598084103,3.523653883,3.520228197,3.506504102,3.445515972,1.907335381,1.892580829,1.891332247,1.881834807,1.848271539,1.844424063,1.832347545,1.762174154,3.780612259,3.713216705,3.712394314,3.705746421,3.657070349,3.653804924,3.632089262,3.580596515,1.738876143,1.731861266,1.730684986,1.717265964,1.667368679,1.663746708,1.653241903,1.581701294,3.635125025,3.620971478,3.620050543,3.612642711,3.540097419,3.536659686,3.5258687,3.458814669,1.904565771,1.859163532,1.858164669,1.851123495,1.815021637,1.811249003,1.795744412,1.73457188,3.801715675,3.764587414,3.763605963,3.757113476,3.708812307,3.705100247,3.690771194,3.627982087,1.704130427,1.683302843,1.682332665,1.675440628,1.613824318,1.610213601,1.598330799,1.531987817,5.089020377,5.08735135,5.08735135,3.709874819,3.709040256,3.708998288,3.705357934,3.538300103,1.810134024,1.806736884,1.803626734,1.794188622,1.774051938,1.77111593,1.762273263,1.631480435,0,0,3,6,0,7,42,0,1,0,0,0,0,0,0,0,0,0,0,1.573132185,0.125,0,0,0.883883476,0.125,0,0,2.880074957,3.492225803,3.785674466,1.429849139,1.451918728,1.133828481,47.41581699,31.92418124,23.64680836,16.90383125,11.41168254,8.405684418,5.893231277,3.795339578,0.729474108,0.498815332,0.342707368,0.23808213,0.160727923,0.109164733,0.076535471,0.051288373,43.73339651,28.34356088,19.4849169,13.04613548,8.19190884,5.390752702,3.470482916,2.166585443,0.672821485,0.442868139,0.2823901,0.183748387,0.115378998,0.070009775,0.045071207,0.029278182,92.54749603,168.9271668,160.2705882,162.44,105.0033796,1326.166374,0.534956624,0.976457611,0.926419585,0.938959538,0.606955952,7.665701582,18.51337,278.53,1046.12616,1388.694464,2092.252319,32.18849722,709.7827129,1.89E-15,2.91E-17,-220.3633772,2.40E+07,369237.245,110.4582825,3746,0,0,6,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,49,9,0,6,0,0,0,0,0,0,0,0,4,0,45,0,6,0,0,0,0,3,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,56.11539762,13.38298622,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.507775212,0,0,17.28958324,3.836617825,0,1.507775212,0,0,0,0,0,0,0,0,8.781310662,0,47.72512169,0,14.07970888,0,0,0,0,-0.69672266,0,0,-0.7548162,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,38.66041774,17.45497989,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.817106804,-0.232464101,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.249041106,0,0,0.222186904,0.326767192,0,0.249041106,0,0,0,0,0,0,0,0,1.992047943,0,0.078017781,0,2.33747187,0,0,0,0,-0.232464101,0,0,-0.7548162,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.88245553,5.817106804,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.8889811,2.354437464,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.254102254,0,0,0.779659049,0.602668923,0,0.254102254,0,0,0,0,0,0,0,0,2.265203204,0,1.377646226,0,2.354437464,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.8889811,5.818936542,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,125.25,1.926923077,0.779659049,12.8889811,-0.334226252,-0.7548162,30.65266127,2.0048162,5.888981103,54.96873845,2.0048162,5.888981103,54.96873845,31.49998,0.48462,0,0.01538,0.47688,0.77077,0.43198,0.47095,0.77077,0.0449,0.00593,-0.03897,0,0.62874,0.08555,0,0.09524,0.04762,0.01587,41.75,0.64231,34.25,0.52692,7.5,0.11538,-26.75,-0.41154,0,0,115.38788,1.7752,143.70767,28.3198,0.43569,27.16917,0.41799,31.92416,4.75499,0.07315,0.48984,0.00754,0.48984,0.00754,0,64.06,6,6,6,6,0,0,0.847457627,1.121833053,2.037976113,3.211827512,4.048116023,4.540914953,4.699431387,194.0771182,352.5698675,555.6461595,700.324072,785.5782868,813.0016299,0.150892959,0.274119438,0.432009162,0.544494748,0.610779021,0.632100388,6.312795174,5.396652115,4.222800716,3.386512205,2.893713275,2.735196841,0.150063277,0.272612197,0.429633767,0.541500852,0.607420662,0.628624794,9.469432897,18.47756285,23.15565981,26.20100167,27.66630962,27.73262185,241.2714566,166.9535136,129.3188012,97.06426173,82.53463845,82.70589169,65,53.35349716,48.80301527,65,3,18,7.29,8.5159,0.205561734,12.53526759,0.834399818,0.360245939,0,15.63633762,5.934878236,0.5,1,0,0.375,2.163374355,0.75,0,0,0,0,0,0,0.003,1.219,1.209,1.641,0.547,30.393,69,71,71,77,77,74,77,74,74,793,4.262679877,4.406719247,4.465908119,4.49980967,4.65396035,4.682131227,4.65396035,4.787491743,4.700480366,4.753590191,6.956545443,1.322824716,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,54,0.84375,58,0.90625,2,20,40,1,6,2.666666667,1.125,1.44,1,0.489795918,0.5625,0.37037037,0.3,0.247933884,0.09375,0.038647343,0.01584507,0.02028169,0.012987013,0.006360986,0.007601351,0.004810005,0.004054054,0.003350458,0.229255295,1046.12616,1388.694464,2092.252319,32.18849722,709.7827129,1.89E-15,2.91E-17,-220.3633772,2.40E+07,369237.245,110.4582825,78.9,1065.94216,7.022367813,5.587248658,6.304448802,7.046647278,7.784473236,8.539932678,9.294037931,10.06241253,10.83125221,11.61205561,206.0625089,4.859812404,0,6.003887067,0,7.290974778,0,8.65538869,0,10.07571669,10.35970914,912.8145912,5.27638492,127.9121767,1.967879642,16.61113163,16.61113163,0,32062,71,25.746,266,1.241549293,2.154250656,2.909231806,3.665392467,4.866460767,5.870352624,6.910105039,7.944748757,8.97440579,9.982188306,91.52598483,96.73603581,101.4551847,133.2652887,179.6579871,224.4873014,237.9286926,280.1627224,306.4598658,334.6939081,304.8074965,367.8797347,396.0282275,515.7242358,679.9280724,837.1664668,938.3047774,1071.8693,1210.80563,1332.081047,9.24628352,15.80479473,20.9893171,26.94354114,35.46661652,43.39615777,50.55068637,58.08166978,65.85755487,72.90933344,2.207549831,2.899079356,3.223311674,4.143013372,5.4463106,6.680736831,7.594963131,8.67063166,9.79647321,10.84493993,177.4090135,330.1416729,470.4571358,591.0802778,786.0098845,943.024653,1119.179023,1288.593253,1455.25473,1618.916093,2.796160005,4.474460919,5.280163017,7.342238732,9.636069865,13.78645891,13.90690539,17.28142089,18.51275373,19.85263368,0.47061296,0.631913316,0.715134166,0.928573597,1.221210746,1.509313263,1.70828338,1.954255509,2.213283283,2.441312114,1863.589195,8283.646967,60.24832285,291.4001037,-1295.272366,-40.89974266,1572.189091,9578.919333,101.1480655,0.864778863,3.843938794,0.027957597,0.135221137,-0.601057447,-0.018979093,4016.014773,17851.17057,129.834491,627.9641052,-2791.298087,-88.13850776,0.058823471,0.070836464,0.262688474,0.012104052,2038.915427,116.0738719,0.946137147,0.053862853,4451.008969,66.71588244,16.4495046,5529.788175,74.36254551,17.68355178,9703.167192,98.50465569,21.32903326,2.660635629,2.660635629,135850.5966,117305.7862,21872.66599,1.158089477,6.210975684,5.36312246,22.0111329,22.20235821,42.7409763,0.925064712,42.94948795,52.16486082,24.05098695,221.3255374,127.4680089,19.78575677,70.90230858,39.56854369,213.0124127,11.89710059,36.11706756,164.8535908,61.21294339,187.9633851,28.68392138,74.3727764,120.9289426,56.92743257,128.3471337,59.57461715,117.0494564,134.0722687,95.8230596,121.4145675,133.5455123,150.500947,174.4724171,106.7340978,130.9491982,137.3755357,3.62690953,53.01350316,2.05679683,61.72582203,10.20014996,3.380504455,9.488810293,5.984971821,59.38995865,3.02996873,6.962553951,29.01287764,8.487668029,48.87221793,7.078978708,10.577673,18.19848078,5.629304079,34.70519145,11.61113454,16.10489114,20.02461833,15.58435125,27.49656926,29.11592232,38.77967839,31.78643984,17.37991459,40.72669897,21.68479535,11.643612,51.35976507,6.113758209,69.38458249,15.63180449,5.980772168,20.0356597,8.811777162,74.34814417,3.381691997,9.470344317,44.85557189,13.75402877,64.29251002,7.069600464,18.34592799,27.21459696,12.45130094,43.89810916,18.24044109,28.37461444,32.84637242,25.96500749,36.94024904,45.16415812,53.09626225,48.08879394,27.85580079,48.70700469,35.00061604,40.54776484,53.04765966,23.70595621,207.3287406,116.6420553,19.21795782,70.02770161,36.5541448,207.0362159,11.78542446,35.75432965,159.1615986,58.24382473,184.2899555,29.22281577,69.45288083,115.414052,53.58354355,127.2755048,56.95737809,109.0346176,128.3539772,90.80763266,117.3596743,125.9070715,143.1585196,165.1933314,101.8610895,126.4733167,128.6779042,17.15022607,50.73391396,8.734951213,81.85453865,24.8291045,8.015146275,27.00225858,11.87084577,88.77346957,3.90121548,11.89462101,59.99054617,18.97474114,77.73121092,8.139383059,25.19381619,36.2902333,18.08069962,52.11612615,23.38164336,39.28140534,43.67474389,34.48819084,45.90540732,57.58858218,65.1588404,62.85179188,37.0789925,57.04269133,47.26074637,51.86775188,52.74644321,30.07247077,296.6091525,182.8481661,23.91983674,88.91784038,54.00702887,271.2107041,16.21184132,47.5137024,208.7208885,81.60063453,237.8003886,38.79979298,97.17808563,162.8707687,74.37342762,163.3849868,76.14385876,152.9955459,178.1818294,124.1418498,156.0988794,166.3899182,189.2187661,225.8252888,138.2038903,165.5804479,178.8115383,27.1300942,52.6987484,17.85838819,140.0700688,63.85562532,14.59656427,55.02455414,21.78322438,181.0527239,12.08506586,35.74841831,149.4588623,56.87232948,174.3677417,32.16404295,43.81400084,88.78446808,37.57758138,122.7889083,40.47829819,68.39667667,101.4494845,68.36218486,93.94563651,87.76568559,105.8061192,125.4781606,73.96022198,112.3208464,87.7025665,142.5032206,23.74288383,2.386814717,0.845049836,0.140796257,0.496796206,0.52318975,0.389735154,168.6329191,3780.236061,12024.50719,0.767574753,1.40972111,126.850195,22.29117414,1.850359956,0.840113533,0.147631756,0.394997912,0.468919629,0.233254741,150.9917291,3103.605004,8486.748167,0.7601703,1.097172282,136.7071372,23.11508456,2.070211871,0.844431912,0.142780512,0.457615054,0.498463682,0.293779092,161.8924337,3490.862897,10194.61871,0.766647867,1.249857828,140.6951427,23.60549519,2.361438404,0.844194107,0.141636872,0.484464766,0.518254175,0.380909673,166.6620763,3709.164351,11718.58492,0.766291161,1.383628613,140.325556,23.4318939,2.172178652,0.845693185,0.141215852,0.481800606,0.510207282,0.323828573,165.9296286,3643.803977,10952.0602,0.768539777,1.315836461,142.791846,23.79232279,2.425470236,0.844873978,0.140774946,0.49881019,0.525328003,0.402147977,169.009639,3801.394635,12210.57483,0.767310967,1.42628617,141.0910175,23.67190902,2.375372934,0.844157311,0.141630668,0.487170466,0.521024682,0.385385747,167.1382994,3731.267126,11831.89859,0.766235967,1.393580896 +UMLPP0040,L,2-Ethyl hexanoic (TMP),CCCCC(CC)C(=O)OCC(CC)(COC(=O)C(CC)CCCC)COC(=O)C(CC)CCCC,UML,,-50,0,-2.2529,5.07555841,131.7995,94.952408,0,0,92,36,56,0,30,0,6,0,0,0,0,0,0,0,5920.63122,6158.339975,8169.347719,9954.326187,10500.81415,10594.00336,11539.80602,10831.81462,11167.32543,15744.5414,20161.25548,28241.76437,33664.42297,35584.54346,36282.73643,38584.55474,40814.24735,41606.39065,682.55976,684.945764,1295.877892,1772.625708,2086.279068,1993.551216,2020.885452,2247.142536,2485.259016,112.4245467,146.9239414,218.0907567,262.255027,271.6062285,275.9145859,295.3474279,323.1505635,337.928527,15271.92691,13251.60589,27294.91184,38716.23752,44768.56884,42831.21659,42638.76528,48721.74929,55266.19999,318.9791667,222.9166667,397.125,514,723,668,797.7083333,687.4583333,789.0833333,64.35468717,67.67406566,46.95027425,41.47635911,38.89190428,40.5900512,43.71138644,36.10604874,33.23608759,171.1363196,221.552258,162.3089906,140.268429,131.7946054,139.0143158,146.1536164,136.0474912,123.8285436,7.419127826,7.526876527,7.447574092,7.38594045,7.726959511,7.638127264,7.654869136,7.49047512,7.396604214,1.222005942,1.614548806,1.253395153,1.092729279,1.005948995,1.057144007,1.118740257,1.077168545,1.005739664,165.9992056,145.6220427,156.8673094,161.3176564,165.8095142,164.1042781,161.5104745,162.405831,164.4827381,3.467164855,2.4496337,2.282327586,2.141666667,2.677777778,2.559386973,3.021622475,2.291527778,2.348462302,0.854447256,-0.491471037,0.021516107,0.12209783,0.162534623,-0.552036013,0.609003682,-0.4399913,0.116429731,3062.640742,35.57694276,114.0112364,983.8654356,-464.1554405,-98.71483521,-314.5981115,-911.307324,204.7200139,4483.18582,-258.1036855,-442.2523093,23.33209704,159.8794402,585.4914818,-796.4416764,-982.9866814,-420.2375257,6.165238957,0.092845467,2.484370669,0.817783418,-1.333786503,-2.926967909,2.911847342,-2.420548945,1.731195811,19.91903817,-2.182766906,-2.428440436,-5.522904433,3.270909957,3.138319588,-2.160379671,-3.594049328,-3.370234494,110.7082587,-13.64127839,-12.78667669,-39.68362078,21.69653152,16.54793373,-7.793418164,-19.20030395,-20.12667739,118.6741395,-0.960969498,28.59999705,5.867733932,-39.27057242,-44.14620008,27.53879175,-39.74402371,88.24829671,0.00928747,-0.005400781,1.24E-04,5.09E-04,6.02E-04,-0.002115081,0.002306832,-0.001466638,3.47E-04,33.28957328,0.390955415,0.655236991,4.099439315,-1.719094224,-0.378217759,-1.191659513,-3.03769108,0.609285756,48.73028065,-2.836304236,-2.541679939,0.097217071,0.592146075,2.243262383,-3.016824532,-3.276622271,-1.250706922,0.067013467,0.00102028,0.014277992,0.003407431,-0.00493995,-0.011214436,0.011029725,-0.008068496,0.005152368,0.216511284,-0.02398645,-0.013956554,-0.023012102,0.012114481,0.012024213,-0.008183256,-0.011980164,-0.01003046,1.203350638,-0.149904158,-0.073486648,-0.16534842,0.080357524,0.063402045,-0.029520523,-0.064001013,-0.059900826,1.289936299,-0.010560104,0.164367799,0.024448891,-0.145446565,-0.169142529,0.104313605,-0.132480079,0.26264374,-0.581512568,0.013314259,0.05477713,0.064816368,-0.227734837,0.248381108,-0.157915734,0.037310166,0.01174408,0.01968295,0.123144844,-0.051640621,-0.011361448,-0.035796779,-0.091250526,0.0183026,-0.058204143,-0.052158122,0.001995003,0.012151501,0.046034259,-0.061908622,-0.067239963,-0.025665908,0.015224997,0.213061538,0.050846958,-0.07371578,-0.167346012,0.164589676,-0.12040112,0.076885568,-0.11078614,-0.064461094,-0.106285923,0.055953117,0.055536195,-0.037795981,-0.055332748,-0.046327654,-0.124572301,-0.061068358,-0.137406683,0.066778146,0.052687922,-0.024531938,-0.053185673,-0.049778364,-0.008186532,0.127423191,0.018953565,-0.112754843,-0.131124715,0.080867253,-0.102702807,0.203609853,1.637214456,0.998859263,1.107657149,1.725051024,1.948854479,1.20478143,1.264713452,1.048160615,1.130206639,1.036991723,0.893988161,1.208834904,1.138107359,1.169495453,1.154836343,0.989851704,1.44062434,1.202831523,1.055745957,0.935478147,0.942550886,1.102733667,1.0966122,1.017633656,0.709483611,0.690260727,0.893125216,1.943731895,1.793675012,1.367158437,1.355932761,0.992389231,1.584930342,1.253130447,1.178922746,0.888464597,0.937443053,1.095245799,1.096390023,1.039379395,1.608633269,1.254515413,1.211468337,0.901289642,0.958623927,1.100059187,1.103242897,1.045217473,0.586690582,0.512856361,0.792698647,1.655199684,1.646447033,1.748367699,1.290416749,0.507186211,466.1408433,233.8204216,302.1309808,467.55751,12.98770861,233.8204216,1.5,8.33E-16,2.31E-17,-124.9988312,5000241.872,138895.6076,55.52998864,466.271095,233.8833442,302.2199719,467.6836,12.99121111,233.8833442,1.495593475,2.98E-16,8.26E-18,-128.7039614,1.50E+07,416669.7698,59.48484554,581.9897568,289.797895,381.456148,579.7287881,16.10357745,289.797895,-2.393966868,2.78E-16,7.71E-18,-128.9538354,5000241.65,138895.6014,55.52998848,466.4077975,233.9493831,302.3133709,467.8159347,12.99488707,233.9493831,1.490968801,1.11E-16,3.08E-18,-132.2524821,5000241.862,138895.6073,55.52998863,705.0710377,349.2886361,465.9173183,698.9380369,19.41494547,349.2886361,-6.493765586,2.39E-15,6.63E-17,-121.2074915,5000245.359,138895.7044,55.52999115,479.7856069,240.412206,311.4567585,480.7667006,13.35463057,240.412206,1.038805115,2.25E-16,6.26E-18,-129.7048003,1.50E+07,416669.7641,59.48484549,492.2554722,246.6135387,316.6948514,494.5817975,13.73838326,246.6135387,3.347003968,8.97E-16,2.49E-17,-124.7315068,1.50E+07,416669.7408,59.48484529,0,11.89,15.99996003,-0.315653191,0.266951324,5.026195801,11.30770942,35,91,88,88,32,3,3,0,0,3,69.841592,3.724876865,3.625703385,3.625703385,3.512487396,3.261671463,3.261671463,3.231061479,3.006208419,1.929093975,1.910137142,1.910137142,1.866162232,1.713186266,1.713186266,1.71028019,1.481156594,3.660097669,3.587991376,3.587991376,3.525091107,3.253051457,3.253051457,3.241696616,2.929842717,1.919412139,1.87093768,1.87093768,1.819214249,1.650385705,1.650385705,1.642276058,1.429082469,3.800865893,3.718597884,3.718597884,3.63819177,3.421999982,3.421999982,3.402824474,3.16572164,1.749952739,1.701045182,1.701045182,1.651381563,1.425796975,1.425796975,1.419264499,1.138665717,3.653461115,3.592760635,3.592760635,3.539861952,3.269880914,3.269880914,3.262035341,2.939521425,1.920292012,1.852270365,1.852270365,1.78711362,1.614388834,1.614388834,1.600164009,1.396129113,3.820014263,3.752793474,3.752793474,3.688867001,3.482881782,3.482881782,3.470351677,3.228606115,1.722907247,1.661058722,1.661058722,1.604064879,1.362720462,1.362720462,1.35343709,1.066328417,5.043726697,5.041937363,5.041937363,3.692467791,3.515416827,3.515416827,3.508215802,3.314280958,1.823320811,1.78790853,1.78790853,1.766753581,1.491892126,1.491892126,1.489942645,1.174243552,0,0,3,0,0,10,13,3,1,0,0,0,0,0,0,0,0,0,0,1.914213562,0.125,0.353553391,0,1.28445705,0.125,0.072168784,0,4.862436867,6.441334525,6.292540948,2.578787667,2.833487452,2.204473539,27.39913046,17.27024645,13.33309986,10.91277915,7.285979358,4.968326625,3.556095098,1.903221044,0.761086957,0.493435613,0.31007209,0.213976062,0.14286234,0.092006049,0.062387633,0.035244834,24.49524905,14.77024645,10.4188863,7.508657284,4.274904465,2.631523164,1.602627565,0.741327026,0.680423585,0.422007041,0.242299681,0.147228574,0.083821656,0.04873191,0.028116273,0.013728278,49.45997313,90.84340859,86.40784314,87.68,55.24096287,707.2036575,0.537608404,0.987428354,0.939215686,0.953043478,0.600445249,7.686996277,7.6616,145.519,257.9451662,335.2425863,515.8903323,14.33028701,257.9451662,1.56E-16,4.33E-18,-131.0310887,1.50E+07,416669.7579,59.48484544,837,0,0,6,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26,3,0,0,0,0,0,0,0,0,0,0,7,0,16,0,0,0,3,0,0,3,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,55.86553955,-0.652252512,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.55182075,1.775979072,0,0,0,0,0,0,0,0,0,0,14.29116616,0,11.41150931,0,0,0,-0.412116489,0,0,-0.652252512,0,0,-0.753846018,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,38.48055092,17.38498863,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.79499621,-0.217417504,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.287656859,0.591993024,0,0,0,0,0,0,0,0,0,0,1.964948507,0,0.07244213,0,0,0,-0.137372163,0,0,-0.217417504,0,0,-0.753846018,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.82685031,5.79499621,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.82685031,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.770347222,0.591993024,0,0,0,0,0,0,0,0,0,0,2.108148034,0,1.029596842,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.82685031,5.79499621,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,79.75,2.215277778,0.770347222,12.82685031,-0.333320939,-0.753846018,11.40625709,2.003846018,5.826850306,49.3835144,2.003846018,5.826850306,49.3835144,16.99998,0.47222,0,0.02778,0.50652,0.82778,0.43091,0.50652,0.82778,0.07561,0,-0.07561,0,0.57047,0.14382,0,0.26471,0.17647,0.02941,24.25,0.67361,19.75,0.54861,4.5,0.125,-15.25,-0.42361,0,0,58.62338,1.62843,77.28015,18.65677,0.51824,14.22151,0.39504,17.27021,3.0487,0.08469,0.64379,0.01788,0.64379,0.01788,0,35.06,6,6,6,6,0,0,0.9,1.219992733,1.993741152,3.293559423,3.935613006,4.143286722,4.208504114,112.2393314,183.424186,303.0074669,362.0763965,381.1823785,387.1823785,0.187013282,0.305621555,0.504871333,0.603292041,0.635126446,0.645123652,5.303569223,4.529820804,3.230002533,2.58794895,2.380275234,2.315057842,0.186128033,0.304174861,0.502481467,0.600436289,0.632120003,0.642069886,10.87400542,20.41952436,25.20473364,25.95893686,26.5559622,27.3385709,131.6344266,84.25640088,66.38416277,58.58603373,55.26797307,51.81831284,36,21.88209843,14.66666667,36,3,7,4.1,4.5588,1.929895482,15.68371666,6.125069893,1.206595763,19.22399311,18.93357688,4.341571814,3.175439155,1.732050808,0,0.375,2.163374355,0.75,0,0,0,0,0,0,0.003,1.207,1.197,1.224,0.094,15.418,43,51,51,54,57,54,54,54,51,540,3.663561646,3.912023005,4.110873864,4.110873864,4.204692619,4.248495242,4.110873864,4.248495242,4.204692619,4.158883083,6.456769656,1.177777778,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,25,0.714285714,32,0.914285714,2,8,16,1,7.5,4.666666667,2.25,1.68,1.666666667,0.734693878,0.5625,0.518518519,0.54,0.297520661,0.214285714,0.108527132,0.044117647,0.032941176,0.030864198,0.012889366,0.010416667,0.009602195,0.01,0.005833738,0.497899353,257.9451662,335.2425863,515.8903323,14.33028701,257.9451662,1.56E-16,4.33E-18,-131.0310887,1.50E+07,416669.7579,59.48484544,78.9,572.2679816,6.169925001,5.056245805,5.843544417,6.66057515,7.474772182,8.302265795,9.127067453,9.960859832,10.79197534,11.63007719,145.8473832,4.262679877,0,5.493061443,0,6.920671504,0,8.436200032,0,9.997478681,10.23785042,512.4076895,5.569648799,69.43027997,1.928618888,16.64576644,16.64576644,0,4450,51,9.965,156,1.249758242,2.152295279,2.907952601,3.598386995,4.444500673,5.306217816,6.074159598,6.755489275,7.580198256,8.535117604,96.01222458,111.4982356,131.6429548,157.3709032,203.1133923,253.6481071,237.1419682,242.9877248,255.7649783,307.5843741,302.0820507,374.5277545,433.8676802,515.3555927,669.9674453,826.5651882,872.8554403,889.3338714,949.792356,1157.821969,9.458700443,16.11519431,21.5689477,27.85434261,34.10014659,40.84587405,45.76703855,50.07836766,56.12418257,64.16683806,2.149295177,2.840247143,3.320681454,3.859398569,4.989175506,6.216281685,6.801639421,7.122569134,7.595817627,9.157164938,179.9505284,333.9002348,465.5288417,589.8810899,721.1729413,849.0789836,979.9464359,1101.158664,1256.313831,1385.487967,3.128576923,5.088443055,6.378695512,9.728846565,11.71280036,16.36779887,14.24855935,15.97750859,16.01072265,21.79852796,0.471363626,0.63805498,0.771590009,0.934922741,1.191179352,1.467982039,1.580532121,1.649472339,1.770415576,2.143530471,819.0635684,2309.737573,24.03256968,288.291146,-812.9733972,-33.80094692,530.7724224,3122.71097,57.8335166,0.739657815,2.08581545,0.021702684,0.260342185,-0.734158068,-0.030524047,906.993904,2557.69879,26.61257933,319.2405597,-900.2499242,-37.42963793,0.093825451,0.111580194,0.177041035,0,1021.561435,85.79327927,0.922524122,0.077475878,2627.09574,51.25520208,13.79829101,3169.569761,56.29893214,14.68926633,6928.184301,83.2357153,19.0636685,3.475144235,3.475144235,13985.43924,11555.59378,3254.121741,1.210274393,4.297761534,3.551063758,9.949374421,10.2542663,20.5004927,0.999215945,16.33236163,29.65508949,18.7073496,104.3053301,38.40954888,57.4917603,60.80558737,84.75832654,82.93028303,52.32707558,75.23167018,64.64675982,64.1618768,44.32052161,51.99976668,74.89111295,52.01337757,62.00357383,44.29216266,37.16690845,40.07536931,27.06361105,39.01785773,18.33683287,22.16574018,16.91568491,19.50094179,21.07411984,15.46736465,16.4279343,1.368347977,26.6383375,1.470071487,45.64195266,3.171371878,19.07466752,18.42770969,16.85616866,20.91601472,12.43969011,22.41615828,17.31157121,16.5329669,6.557809873,7.839662237,19.17836477,6.353217569,13.67895496,9.857473381,5.799750693,6.888065479,2.265421568,8.859849403,1.967273714,6.281089612,4.392466557,1.398443219,1.75492669,1.601742406,4.6596372,4.30909832,26.03197199,3.997864969,47.85506875,5.867510125,21.2004058,19.22958122,24.00233212,26.38044477,14.32244878,26.4362128,19.9573516,20.05960526,9.916679761,12.84048663,24.64683803,11.58254848,17.98234551,13.14782414,9.581752424,10.02058859,5.362828345,10.57409614,3.959536982,8.394791181,5.244635307,3.846853046,4.223577988,3.364269609,6.114600216,15.39606989,29.72762485,19.06179524,104.1961789,35.82581471,57.15097406,62.63154556,82.06855624,82.88424559,52.50536068,72.56141467,63.57072327,64.73541031,42.21590896,50.28945815,73.67166702,49.01193152,62.01724152,42.31976937,35.13150254,39.43276881,25.48246218,38.15387116,17.42675673,21.01102623,16.03645434,18.6278401,19.3696745,14.24078948,15.37240055,6.362630025,26.01413145,5.587193758,51.95673158,8.79509355,24.23585405,21.93542067,30.73618208,31.38992696,17.1702329,31.20148543,23.79903304,23.64419671,13.3228701,17.01857298,29.58409572,16.22951113,21.89646012,16.41453885,12.82832288,12.84330514,7.912161638,12.964832,5.583395394,10.12590945,6.354691958,5.726345286,6.356130705,4.891223953,7.394629203,19.89283742,31.5346807,24.74545923,129.7082363,54.20511166,72.42043177,79.63062832,109.7284442,107.2698731,69.08286691,96.02553188,83.98477588,83.50879347,59.48923575,68.65561368,96.0950319,68.88210743,80.88242652,57.50541906,48.57284981,53.14292552,36.20941968,51.34437061,24.50289489,27.75382387,22.06534599,25.91202715,27.97730828,20.43770643,20.71656684,10.57457054,26.54113469,14.61694402,101.0405881,20.81624434,52.95119939,67.17988257,71.7719435,81.91080038,57.03999308,53.68868526,70.21532198,64.93435068,32.7498115,37.40632114,61.49695776,36.3030978,56.98378715,36.50532851,25.57024665,37.03566787,16.84231682,36.26146623,11.6579414,15.4609307,14.47229018,14.83348203,11.19242533,8.53116133,10.83298224,26.73944908,6.807085297,1.178128625,0.770042004,0.196030277,0.43615834,0.33125318,0.369561306,34.724663,221.539843,470.7047811,0.655063006,1.136972826,21.79211334,5.581912999,0.816970059,0.773016783,0.198003395,0.28997521,0.228155073,0.160997356,28.19099639,144.0054406,271.5740481,0.659525174,0.679127639,24.65391391,6.212668348,0.904552699,0.775984677,0.195544426,0.37085362,0.277267185,0.213653932,31.77113496,181.0870409,351.4054287,0.663977016,0.861774737,26.19289518,6.691026637,1.180766725,0.768916327,0.196421189,0.41854924,0.320637367,0.368664584,34.06468854,214.0856,455.0883468,0.65337449,1.107851191,25.81070145,6.488442291,0.958923471,0.776073405,0.195093787,0.406395598,0.301217081,0.24393826,33.25806721,198.4436539,392.2938304,0.664110107,0.951550939,26.87500035,6.858437306,1.21906366,0.768900632,0.196221645,0.440592539,0.336259254,0.395773497,34.95250131,225.4437129,485.0946436,0.653350948,1.17262529,26.33619536,6.724922204,1.197541428,0.768745658,0.196298466,0.423119529,0.323856293,0.378921154,34.25865899,216.7009229,463.0547848,0.653118487,1.125896976 +UMLPP0041,L,"3,5,5-TMH (TMP)",CC(C)(C)CC(C)CC(=O)OCC(CC)(COC(=O)CC(C)CC(C)(C)(C))COC(=O)CC(C)CC(C)(C)(C),UML,,-32,0,5.8354,34.05189316,156.8804,104.233166,0,0,101,39,62,0,33,0,6,0,0,0,0,0,0,0,6359.519967,6663.774866,9840.067411,10187.1089,11240.45835,10648.37135,11855.04847,9971.599755,10936.97525,17201.59457,22120.22588,33008.55243,40630.6537,40910.16117,39178.36498,37198.63505,35580.86945,38895.95016,745.492092,750.273104,1424.27986,1983.051696,2828.9205,2128.782468,2375.78046,2016.653772,1835.8386,123.4589241,161.9719072,250.2116457,326.6348601,338.0756637,304.979876,292.852767,264.4445222,304.317751,16761.81589,14550.72424,30116.72065,41341.05711,65955.0098,44998.70983,53321.24791,42525.20612,38237.27081,340.1666667,246.375,439.5416667,599.375,782.375,730.375,891.8333333,743.6875,665.9583333,62.96554423,66.63774866,51.2503511,38.15396593,29.04511202,38.16620556,37.28002663,39.10431276,44.459249,170.3128176,221.2022588,171.9195439,152.174733,105.7110108,140.4242473,116.9768398,139.5328214,158.1136186,7.381109822,7.50273104,7.418124271,7.42715991,7.309872093,7.630044688,7.471007736,7.908446165,7.462758537,1.222365585,1.619719072,1.303185655,1.223351536,0.873580526,1.093117835,0.920920651,1.037037342,1.237064028,165.9585732,145.5072424,156.85792,154.8354199,170.4263819,161.2856983,167.6768802,166.7655142,155.4360602,3.367986799,2.46375,2.289279514,2.244850187,2.021640827,2.617831541,2.804507338,2.916421569,2.707147696,0.856430553,-0.485771321,0.174397047,-0.22969882,0.389272652,-0.789052366,1.105905451,-0.842137341,0.304147842,3311.382822,35.49766448,1079.740932,-2777.698287,3125.133882,-1837.745321,2537.126871,-1569.834403,-978.3218581,4935.38521,-259.6956792,1351.669079,-5433.389132,4659.189963,-2482.176585,1736.792566,1157.782327,-3169.512433,6.250740356,0.10893034,2.724147798,-1.029751833,2.45873305,-3.211987044,5.885678204,-6.98306787,2.573997468,21.93190639,-2.183310287,5.620772941,-25.53575409,18.26706248,-9.977687475,1.569566784,14.14034259,-16.74446133,121.6448061,-13.62467486,31.01401717,-141.1603008,95.58397709,-53.60980069,0.168614422,89.45444617,-94.1731093,121.8275578,-6.47241692,44.46848757,-40.4698804,27.38475395,-68.05087736,91.33666634,-109.561532,89.88576692,0.00847951,-0.004857713,9.08E-04,-8.60E-04,0.001005872,-0.002828145,0.00347769,-0.003302499,0.001236373,32.78596854,0.354976645,5.623650688,-10.40336437,8.07528135,-6.586900793,7.978386386,-6.156213346,-3.976918122,48.8652001,-2.596956792,7.039943121,-20.34977203,12.03925055,-8.896690269,5.461611844,4.540322852,-12.88419688,0.061888518,0.001089303,0.01418827,-0.003856748,0.006353315,-0.011512498,0.018508422,-0.02738458,0.010463404,0.217147588,-0.021833103,0.029274859,-0.095639528,0.047201712,-0.035762321,0.004935745,0.055452324,-0.068066916,1.20440402,-0.136246749,0.161531339,-0.528690265,0.246987021,-0.192149823,5.30E-04,0.35080175,-0.382817517,1.206213443,-0.064724169,0.231606706,-0.151572586,0.070761638,-0.243909955,0.287222221,-0.429653067,0.365389296,-0.572876613,0.107119151,-0.101455764,0.118623887,-0.333526883,0.410128642,-0.389468166,0.145807161,0.01082709,0.171526142,-0.317311485,0.246302968,-0.200906091,0.243347589,-0.187769757,-0.121299394,-0.053145322,0.144068644,-0.416447124,0.246376778,-0.182065974,0.111768945,0.092915262,-0.263668149,0.017601058,0.229255283,-0.062317673,0.102657416,-0.186019938,0.299060674,-0.442482396,0.169068587,-0.100544994,0.134815493,-0.440435601,0.217371569,-0.16469131,0.022729908,0.25536698,-0.313459231,-0.113123791,0.134117237,-0.438964215,0.205069907,-0.159539341,4.40E-04,0.291265841,-0.31784809,-0.053658969,0.192011379,-0.125659838,0.058664276,-0.202211272,0.238118902,-0.356199866,0.302922587,1.626303063,0.890897108,1.152308319,1.035724529,2.107946429,1.116521743,2.448635763,1.007330553,1.154990266,0.89801753,1.401075577,0.71350926,1.357280555,0.798811535,1.460959724,1.214986017,1.445473565,1.016847423,1.599106295,0.629853875,1.223506081,0.809045228,0.828548698,1.436855897,0.711161198,0.672085053,0.977962356,1.051684413,1.84724131,1.131457216,3.010654379,0.81827107,1.577134254,1.061729562,1.664475748,0.634495689,1.220647328,0.884145823,0.659947171,1.525740157,1.598832966,1.066801295,1.668932511,0.646283844,1.235140402,0.914773578,0.662733344,1.537364335,0.652903728,0.452633461,0.932819343,0.827018636,1.74675109,1.426454324,2.830094464,0.552852273,565.00445,283.252225,371.5709249,566.4275269,14.52378274,283.252225,1.5,6.11E-16,1.57E-17,-136.6250047,5000297.772,128212.7634,60.15753129,565.1465168,283.3210551,371.6680202,566.5654132,14.52731829,283.3210551,1.495593475,2.16E-15,5.55E-17,-131.6889058,5000297.749,128212.7628,60.15753127,691.2477383,344.4268857,458.1471639,688.9765389,17.6660651,344.4268857,-2.393966868,2.72E-15,6.97E-17,-130.7986971,5000289.919,128212.562,60.15752516,565.2956191,283.3932939,371.7699249,566.7101279,14.53102892,283.3932939,1.490968801,1.32E-15,3.38E-17,-133.6232244,5001536.364,128244.5222,60.15849721,825.2388773,409.3725559,550.4078492,819.0781254,21.00200321,409.3725559,-6.493765586,0,0,0,5000289.861,128212.5605,60.15752512,579.8848514,290.4618283,381.7461637,580.8703845,14.89411242,290.4618283,1.038805115,1.00E-15,2.57E-17,-134.6931483,1.60E+07,410259.9162,64.69362052,658.2483748,329.5803406,429.8872755,660.4973573,16.93582968,329.5803406,2.829365079,5.01E-16,1.29E-17,-137.3941022,5003161.393,128286.1896,60.15976414,0,11.89,15.99996461,-0.315860404,0.264141547,4.783046387,11.13087585,38,100,97,97,35,3,3,0,0,3,76.400834,3.7154108,3.641485874,3.641485874,3.584509515,3.413515317,3.413515317,3.329011639,3.021540098,1.960081117,1.95594397,1.95594397,1.885445665,1.710828735,1.710828735,1.703952598,1.479795552,3.666413714,3.64033216,3.64033216,3.590961594,3.343527797,3.343527797,3.309544314,2.943284237,1.927993727,1.90953932,1.90953932,1.862076829,1.672890896,1.672890896,1.650227581,1.428340525,3.797455306,3.749252453,3.749252453,3.702126967,3.509758308,3.509758308,3.453716235,3.174208077,1.768406174,1.755643288,1.755643288,1.69888061,1.467617354,1.467617354,1.4488657,1.14085132,3.669105052,3.652929927,3.652929927,3.598507736,3.341998993,3.341998993,3.318717676,2.948188162,1.919964084,1.882778972,1.882778972,1.839568573,1.660811732,1.660811732,1.619394411,1.395339308,3.822602964,3.792008916,3.792008916,3.745745669,3.540030567,3.540030567,3.503116961,3.231103673,1.733091237,1.712723687,1.712723687,1.661595381,1.425436973,1.425436973,1.397980079,1.071998706,4.916303612,4.914106305,4.914106305,3.651377491,3.625618566,3.625618566,3.62191462,3.280654368,1.873191344,1.866118258,1.866118258,1.828319906,1.524859084,1.524859084,1.520701216,1.206336875,0,0,3,0,0,16,7,3,4,0,0,0,0,0,0,0,0,0,0,7.121138104,1.185660172,0,0,6.431889396,1.185660172,0,0,5.537832531,9.984426525,8.788655789,4.110053922,7.139167368,5.177409739,30.65648977,17.54506162,19.10206882,9.549116806,8.363456634,4.264383407,3.46899827,1.806218434,0.78606384,0.461712148,0.347310342,0.198939933,0.146727309,0.083615361,0.060859619,0.035416048,27.75260836,15.01495151,16.05784473,6.7959155,5.514938851,2.006813426,1.272640993,0.72207325,0.711605343,0.395130303,0.291960813,0.141581573,0.096753313,0.039349283,0.022327035,0.014158299,54.08545654,99.50691916,94.58431373,95.96,60.63662635,776.2884228,0.53549957,0.985217021,0.936478354,0.95009901,0.600362637,7.686023988,8.3996,159.16,309.3321986,407.3840748,618.6643972,15.86318967,309.3321986,6.14E-16,1.57E-17,-136.6029083,1.60E+07,410259.8809,64.69362019,948,0,0,6,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26,3,0,0,0,0,0,0,0,0,0,0,13,0,10,0,0,0,3,0,0,3,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,55.25284121,-0.833814152,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.04330502,1.775979072,0,0,0,0,0,0,0,0,0,0,27.52900884,0,4.372225028,0,0,0,0.577194376,0,0,-0.833814152,0,0,-0.397455302,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,38.09117417,17.16166705,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.720555682,-0.277938051,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.287656859,0.591993024,0,0,0,0,0,0,0,0,0,0,1.946619426,0,0.041885472,0,0,0,0.192398125,0,0,-0.277938051,0,0,-0.782960601,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.69705806,5.720555682,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.69705806,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.770347222,0.591993024,0,0,0,0,0,0,0,0,0,0,2.157088523,0,0.912447181,0,0,0,0.192398125,0,0,0,0,0,0.128501766,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.69705806,5.720555682,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,86.5,2.217948718,0.770347222,12.69705806,-0.313445116,-0.782960601,14.26544314,2.032960601,5.697058056,50.67046125,2.032960601,5.697058056,50.67046125,18.49998,0.47436,0,0.02564,0.5,0.81795,0.43109,0.5,0.81795,0.06891,0,-0.06891,0,0.57994,0.13435,0,0.40541,0.16216,0.10811,25.75,0.66026,21.25,0.54487,4.5,0.11538,-16.75,-0.42949,0,0,71.1212,1.82362,90.53232,19.41111,0.49772,14.41871,0.36971,17.54502,3.12631,0.08016,1.86898,0.04792,1.86898,0.04792,0,38.06,6,6,6,6,0,0,0.909090909,1.201429778,2.085981655,3.319316071,3.823818412,3.823818412,3.823818412,121.3444076,210.6841472,335.2509232,386.2056596,386.2056596,386.2056596,0.180443319,0.313294593,0.498529685,0.574301135,0.574301135,0.574301135,5.456781705,4.572229828,3.338895412,2.834393071,2.834393071,2.834393071,0.179679905,0.311969115,0.49642052,0.571871399,0.571871399,0.571871399,10.63336425,21.48530844,25.04772197,25.55617206,25.55617206,25.55617206,142.8120068,83.42733792,70.53953067,66.21116445,66.21116445,66.21116445,39,17.19735537,21.375,39,3,6,4.43,4.9815,8.221749619,17.8774364,10.66002139,7.776744146,8.715695983,13.26207341,7.549236962,2.506218982,3.985825437,0.606091527,0.375,2.163374355,0.75,0,0,0,0,0,0,0.003,1.36,1.338,0.987,0.031,15.679,55,48,57,51,57,51,54,60,60,570,3.737669618,4.127134385,4.007333185,4.204692619,4.158883083,4.33073334,4.060443011,4.248495242,4.204692619,4.290459441,6.498282149,1.163157895,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22,0.578947368,35,0.921052632,2,8,16,1,16.5,4,3.75,1.92,1.666666667,0.979591837,0.75,0.740740741,0.84,0.297520661,0.434210526,0.072727273,0.078125,0.033684211,0.032679739,0.017185822,0.014705882,0.013717421,0.014,0.004958678,0.758165273,309.3321986,407.3840748,618.6643972,15.86318967,309.3321986,6.14E-16,1.57E-17,-136.6029083,1.60E+07,410259.8809,64.69362019,78.9,624.1559355,6.285402219,5.231108617,5.973809612,6.86171134,7.620214771,8.504918161,9.273033441,10.15420736,10.93015619,11.80800263,153.3571621,4.343805422,0,5.693732139,0,7.161622003,0,8.684908596,0,10.24020976,10.48060641,554.4546397,5.489649898,74.19240419,1.902369338,16.55874034,16.55874034,0,5794,48,12.245,186,1.24975,2.151626337,2.959547247,3.517874331,4.370196583,5.110927112,6.296382353,7.387848238,8.077537304,9.104883749,94.77106339,122.7306486,119.8351184,115.882927,191.1334353,221.4933505,273.0681843,348.8887045,285.2530016,381.6055168,301.9072646,400.8483328,466.8174587,404.5738134,666.1132001,667.9830047,948.8250006,1225.084732,1062.697851,1378.615862,9.427259044,16.0557137,22.01333346,25.79657887,33.48143713,38.58080855,49.89903198,55.25520723,59.75252908,67.71355955,2.157645941,2.981379958,3.712412446,3.261132193,5.058889047,5.090343678,6.95106761,9.478089024,8.404791209,10.85874561,179.7737387,332.9484828,456.2181962,594.3562027,697.5632185,844.9166581,1038.496731,1139.376368,1339.121761,1419.382438,3.13035875,5.154235439,6.677563131,7.189177862,11.62652976,15.1384498,18.30379879,19.83767889,16.41881888,22.78248216,0.470668725,0.660806526,0.838142459,0.764724617,1.19697887,1.241259699,1.687193115,2.15060618,1.926054488,2.504870417,919.6586088,2693.832665,26.6073217,218.3956673,-639.7171482,-26.74514329,701.2629415,3333.549814,53.35246498,0.808097318,2.367051135,0.02337966,0.191902682,-0.562114797,-0.023500763,1046.621412,3065.727784,30.28057623,248.546123,-728.032836,-30.43742468,0.089354437,0.107491488,0.185465052,0.018367413,1065.863389,72.19088666,0.936566394,0.063433606,2813.340447,53.04093181,14.11694632,3413.936684,58.42890282,15.05746356,7126.260496,84.41718128,19.24364033,1.599560121,1.120497364,19970.96828,14410.90645,6493.57651,1.385823185,3.075495954,2.219255664,11.81542328,10.25426955,20.50049608,0.999215641,17.3315382,29.38827823,15.64842383,129.0719425,23.99418308,73.62407263,57.45323603,72.29885287,57.47282583,38.16314978,42.73839756,44.39698852,50.29583841,63.56056234,50.5385428,79.67825123,70.8769006,84.37188616,90.67945953,72.76239461,85.66835989,55.1162272,66.92105888,42.5052715,44.96629715,41.47965918,25.07561636,33.74523844,15.31668841,24.32074823,1.504036487,29.46874988,1.239626078,55.66888284,6.433187368,15.77732755,12.97480842,9.199442405,18.44434162,7.183070752,17.30076918,12.6670256,15.25241714,10.07824671,8.226330457,21.80648814,12.41616535,27.02326998,12.62298719,11.65910976,19.77492567,8.258835936,21.02390254,6.036578158,6.719472576,3.576037669,2.108467945,8.617886091,0.62530801,3.51157941,4.712962114,28.66672276,3.13993324,62.19071525,7.499083855,22.14751093,15.16078884,15.08255975,20.4367792,10.01123496,17.84385374,11.82961531,16.88676054,16.14972306,13.14350834,25.79181191,19.10732081,29.4750965,22.66288996,19.30402236,24.37228428,13.84531388,24.49982114,10.39160893,11.76048545,8.635754245,4.776312638,12.07743637,2.268986781,5.965004113,16.37490222,29.80485978,16.38283489,128.4604487,23.49845254,71.08256111,58.02781365,70.75935254,59.91751337,38.12670315,43.09239297,45.50822468,51.95112203,62.00989002,50.4598449,78.23895517,68.16356057,85.40812883,87.37580506,69.74294122,83.38734007,51.79437565,66.09703838,40.13545168,42.42014788,38.70241055,23.63105008,31.61635391,13.93788716,22.41210781,6.9232951,28.38494654,4.256467005,68.41898338,8.727502141,28.0732821,18.02563821,20.5125129,22.63914704,12.62679325,19.36082869,13.69097954,19.00323108,21.20909637,16.83704932,30.46276079,24.99697843,33.35190774,30.64912161,25.53946077,29.71205805,18.75905852,28.37441992,14.08567273,15.84608898,12.9231004,7.036121223,14.94801177,3.799691383,8.181929556,20.93041792,29.81867155,21.18902852,156.9871154,32.1808704,94.22741126,76.87056038,97.56213238,74.13758678,50.30904048,54.16561625,59.26003113,65.39513183,83.20610578,66.54191868,103.1282079,91.60786815,107.9320421,118.1150584,94.63336963,112.9635362,72.07961524,84.52427128,56.15364399,58.56875649,54.04776817,33.91329161,42.29812841,20.96609776,32.10825925,11.4118584,25.51072051,11.73893438,121.1078965,19.07162446,52.453147,51.68595742,55.94583697,66.15445587,32.0419515,36.93702063,73.42210108,50.61547638,50.1581629,42.53825818,62.09270715,47.31206658,79.988271,62.45427637,50.69634826,70.48301754,36.8873697,63.39165898,26.47587724,29.23408824,25.67969235,16.53640553,20.98143871,7.191362679,11.89452458,30.30921534,12.95563676,1.500725392,0.677065215,0.289410692,0.453497074,0.371354365,0.421558936,44.7655775,457.6038467,1091.667044,0.515597822,1.246410375,25.15084217,10.9157968,0.842656557,0.681422981,0.29574655,0.312355634,0.263812379,0.132912774,36.90929553,304.9332724,573.1867483,0.522134471,0.709080788,28.27895893,12.01993043,1.112287328,0.682882284,0.290258123,0.394823497,0.319753213,0.231590939,41.41117669,384.7350629,804.2250699,0.524323426,0.946167649,29.70939581,12.75924191,1.463941725,0.676249749,0.290427789,0.435733609,0.3601987,0.401141236,43.93257944,441.2409787,1040.109023,0.514374623,1.197073544,29.49960599,12.47641576,1.242482545,0.682568878,0.288682266,0.429620379,0.344451669,0.288981366,43.21850429,420.2038233,920.7172193,0.523853317,1.063053414,30.41908483,13.03141902,1.546241222,0.676028561,0.289608037,0.45678622,0.375700464,0.44751077,44.99674507,463.5888008,1121.521505,0.514042842,1.279997455,29.88812167,12.84587445,1.477448834,0.6760268,0.290555409,0.440988328,0.365098356,0.408575632,44.21144495,447.0763512,1058.53811,0.514040201,1.214662317 diff --git a/databases/ron_database_v1.1.csv b/databases/ron_database_v1.1.csv new file mode 100644 index 0000000..ffb9fdd --- /dev/null +++ b/databases/ron_database_v1.1.csv @@ -0,0 +1,309 @@ +DATAID,ASSIGNMENT,STRING,STRING,STRING,STRING,STRING,STRING,STRING,STRING,STRING,TARGET,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT +DATAID,ASSIGNMENT,Compound Name,SMILES,PubChem CID,Notes,Source,Literature Source,Formula,Validated By,Notes (IMI),TARGET,nAcid,ALogP,ALogp2,AMR,apol,naAromAtom,nAromBond,nAtom,nHeavyAtom,nH,nB,nC,nN,nO,nS,nP,nF,nCl,nBr,nI,nX,ATS0m,ATS1m,ATS2m,ATS3m,ATS4m,ATS5m,ATS6m,ATS7m,ATS8m,ATS0v,ATS1v,ATS2v,ATS3v,ATS4v,ATS5v,ATS6v,ATS7v,ATS8v,ATS0e,ATS1e,ATS2e,ATS3e,ATS4e,ATS5e,ATS6e,ATS7e,ATS8e,ATS0p,ATS1p,ATS2p,ATS3p,ATS4p,ATS5p,ATS6p,ATS7p,ATS8p,ATS0i,ATS1i,ATS2i,ATS3i,ATS4i,ATS5i,ATS6i,ATS7i,ATS8i,ATS0s,ATS1s,ATS2s,ATS3s,ATS4s,ATS5s,ATS6s,ATS7s,ATS8s,AATS0m,AATS1m,AATS2m,AATS3m,AATS4m,AATS5m,AATS6m,AATS7m,AATS8m,AATS0v,AATS1v,AATS2v,AATS3v,AATS4v,AATS5v,AATS6v,AATS7v,AATS8v,AATS0e,AATS1e,AATS2e,AATS3e,AATS4e,AATS5e,AATS6e,AATS7e,AATS8e,AATS0p,AATS1p,AATS2p,AATS3p,AATS4p,AATS5p,AATS6p,AATS7p,AATS8p,AATS0i,AATS1i,AATS2i,AATS3i,AATS4i,AATS5i,AATS6i,AATS7i,AATS8i,AATS0s,AATS1s,AATS2s,AATS3s,AATS4s,AATS5s,AATS6s,AATS7s,AATS8s,ATSC0c,ATSC1c,ATSC2c,ATSC3c,ATSC4c,ATSC5c,ATSC6c,ATSC7c,ATSC8c,ATSC0m,ATSC1m,ATSC2m,ATSC3m,ATSC4m,ATSC5m,ATSC6m,ATSC7m,ATSC8m,ATSC0v,ATSC1v,ATSC2v,ATSC3v,ATSC4v,ATSC5v,ATSC6v,ATSC7v,ATSC8v,ATSC0e,ATSC1e,ATSC2e,ATSC3e,ATSC4e,ATSC5e,ATSC6e,ATSC7e,ATSC8e,ATSC0p,ATSC1p,ATSC2p,ATSC3p,ATSC4p,ATSC5p,ATSC6p,ATSC7p,ATSC8p,ATSC0i,ATSC1i,ATSC2i,ATSC3i,ATSC4i,ATSC5i,ATSC6i,ATSC7i,ATSC8i,ATSC0s,ATSC1s,ATSC2s,ATSC3s,ATSC4s,ATSC5s,ATSC6s,ATSC7s,ATSC8s,AATSC0c,AATSC1c,AATSC2c,AATSC3c,AATSC4c,AATSC5c,AATSC6c,AATSC7c,AATSC8c,AATSC0m,AATSC1m,AATSC2m,AATSC3m,AATSC4m,AATSC5m,AATSC6m,AATSC7m,AATSC8m,AATSC0v,AATSC1v,AATSC2v,AATSC3v,AATSC4v,AATSC5v,AATSC6v,AATSC7v,AATSC8v,AATSC0e,AATSC1e,AATSC2e,AATSC3e,AATSC4e,AATSC5e,AATSC6e,AATSC7e,AATSC8e,AATSC0p,AATSC1p,AATSC2p,AATSC3p,AATSC4p,AATSC5p,AATSC6p,AATSC7p,AATSC8p,AATSC0i,AATSC1i,AATSC2i,AATSC3i,AATSC4i,AATSC5i,AATSC6i,AATSC7i,AATSC8i,AATSC0s,AATSC1s,AATSC2s,AATSC3s,AATSC4s,AATSC5s,AATSC6s,AATSC7s,AATSC8s,MATS1c,MATS2c,MATS3c,MATS4c,MATS5c,MATS6c,MATS7c,MATS8c,MATS1m,MATS2m,MATS3m,MATS4m,MATS5m,MATS6m,MATS7m,MATS8m,MATS1v,MATS2v,MATS3v,MATS4v,MATS5v,MATS6v,MATS7v,MATS8v,MATS1e,MATS2e,MATS3e,MATS4e,MATS5e,MATS6e,MATS7e,MATS8e,MATS1p,MATS2p,MATS3p,MATS4p,MATS5p,MATS6p,MATS7p,MATS8p,MATS1i,MATS2i,MATS3i,MATS4i,MATS5i,MATS6i,MATS7i,MATS8i,MATS1s,MATS2s,MATS3s,MATS4s,MATS5s,MATS6s,MATS7s,MATS8s,GATS1c,GATS2c,GATS3c,GATS4c,GATS5c,GATS6c,GATS7c,GATS8c,GATS1m,GATS2m,GATS3m,GATS4m,GATS5m,GATS6m,GATS7m,GATS8m,GATS1v,GATS2v,GATS3v,GATS4v,GATS5v,GATS6v,GATS7v,GATS8v,GATS1e,GATS2e,GATS3e,GATS4e,GATS5e,GATS6e,GATS7e,GATS8e,GATS1p,GATS2p,GATS3p,GATS4p,GATS5p,GATS6p,GATS7p,GATS8p,GATS1i,GATS2i,GATS3i,GATS4i,GATS5i,GATS6i,GATS7i,GATS8i,GATS1s,GATS2s,GATS3s,GATS4s,GATS5s,GATS6s,GATS7s,GATS8s,SpAbs_DzZ,SpMax_DzZ,SpDiam_DzZ,SpAD_DzZ,SpMAD_DzZ,EE_DzZ,SM1_DzZ,VE1_DzZ,VE2_DzZ,VE3_DzZ,VR1_DzZ,VR2_DzZ,VR3_DzZ,SpAbs_Dzm,SpMax_Dzm,SpDiam_Dzm,SpAD_Dzm,SpMAD_Dzm,EE_Dzm,SM1_Dzm,VE1_Dzm,VE2_Dzm,VE3_Dzm,VR1_Dzm,VR2_Dzm,VR3_Dzm,SpAbs_Dzv,SpMax_Dzv,SpDiam_Dzv,SpAD_Dzv,SpMAD_Dzv,EE_Dzv,SM1_Dzv,VE1_Dzv,VE2_Dzv,VE3_Dzv,VR1_Dzv,VR2_Dzv,VR3_Dzv,SpAbs_Dze,SpMax_Dze,SpDiam_Dze,SpAD_Dze,SpMAD_Dze,EE_Dze,SM1_Dze,VE1_Dze,VE2_Dze,VE3_Dze,VR1_Dze,VR2_Dze,VR3_Dze,SpAbs_Dzp,SpMax_Dzp,SpDiam_Dzp,SpAD_Dzp,SpMAD_Dzp,EE_Dzp,SM1_Dzp,VE1_Dzp,VE2_Dzp,VE3_Dzp,VR1_Dzp,VR2_Dzp,VR3_Dzp,SpAbs_Dzi,SpMax_Dzi,SpDiam_Dzi,SpAD_Dzi,SpMAD_Dzi,EE_Dzi,SM1_Dzi,VE1_Dzi,VE2_Dzi,VE3_Dzi,VR1_Dzi,VR2_Dzi,VR3_Dzi,SpAbs_Dzs,SpMax_Dzs,SpDiam_Dzs,SpAD_Dzs,SpMAD_Dzs,EE_Dzs,SM1_Dzs,VE1_Dzs,VE2_Dzs,VE3_Dzs,VR1_Dzs,VR2_Dzs,VR3_Dzs,nBase,BCUTw-1l,BCUTw-1h,BCUTc-1l,BCUTc-1h,BCUTp-1l,BCUTp-1h,nBonds,nBonds2,nBondsS,nBondsS2,nBondsS3,nBondsD,nBondsD2,nBondsT,nBondsQ,nBondsM,bpol,SpMax1_Bhm,SpMax2_Bhm,SpMax3_Bhm,SpMax4_Bhm,SpMax5_Bhm,SpMax6_Bhm,SpMax7_Bhm,SpMax8_Bhm,SpMin1_Bhm,SpMin2_Bhm,SpMin3_Bhm,SpMin4_Bhm,SpMin5_Bhm,SpMin6_Bhm,SpMin7_Bhm,SpMin8_Bhm,SpMax1_Bhv,SpMax2_Bhv,SpMax3_Bhv,SpMax4_Bhv,SpMax5_Bhv,SpMax6_Bhv,SpMax7_Bhv,SpMax8_Bhv,SpMin1_Bhv,SpMin2_Bhv,SpMin3_Bhv,SpMin4_Bhv,SpMin5_Bhv,SpMin6_Bhv,SpMin7_Bhv,SpMin8_Bhv,SpMax1_Bhe,SpMax2_Bhe,SpMax3_Bhe,SpMax4_Bhe,SpMax5_Bhe,SpMax6_Bhe,SpMax7_Bhe,SpMax8_Bhe,SpMin1_Bhe,SpMin2_Bhe,SpMin3_Bhe,SpMin4_Bhe,SpMin5_Bhe,SpMin6_Bhe,SpMin7_Bhe,SpMin8_Bhe,SpMax1_Bhp,SpMax2_Bhp,SpMax3_Bhp,SpMax4_Bhp,SpMax5_Bhp,SpMax6_Bhp,SpMax7_Bhp,SpMax8_Bhp,SpMin1_Bhp,SpMin2_Bhp,SpMin3_Bhp,SpMin4_Bhp,SpMin5_Bhp,SpMin6_Bhp,SpMin7_Bhp,SpMin8_Bhp,SpMax1_Bhi,SpMax2_Bhi,SpMax3_Bhi,SpMax4_Bhi,SpMax5_Bhi,SpMax6_Bhi,SpMax7_Bhi,SpMax8_Bhi,SpMin1_Bhi,SpMin2_Bhi,SpMin3_Bhi,SpMin4_Bhi,SpMin5_Bhi,SpMin6_Bhi,SpMin7_Bhi,SpMin8_Bhi,SpMax1_Bhs,SpMax2_Bhs,SpMax3_Bhs,SpMax4_Bhs,SpMax5_Bhs,SpMax6_Bhs,SpMax7_Bhs,SpMax8_Bhs,SpMin1_Bhs,SpMin2_Bhs,SpMin3_Bhs,SpMin4_Bhs,SpMin5_Bhs,SpMin6_Bhs,SpMin7_Bhs,SpMin8_Bhs,C1SP1,C2SP1,C1SP2,C2SP2,C3SP2,C1SP3,C2SP3,C3SP3,C4SP3,SCH-3,SCH-4,SCH-5,SCH-6,SCH-7,VCH-3,VCH-4,VCH-5,VCH-6,VCH-7,SC-3,SC-4,SC-5,SC-6,VC-3,VC-4,VC-5,VC-6,SPC-4,SPC-5,SPC-6,VPC-4,VPC-5,VPC-6,SP-0,SP-1,SP-2,SP-3,SP-4,SP-5,SP-6,SP-7,ASP-0,ASP-1,ASP-2,ASP-3,ASP-4,ASP-5,ASP-6,ASP-7,VP-0,VP-1,VP-2,VP-3,VP-4,VP-5,VP-6,VP-7,AVP-0,AVP-1,AVP-2,AVP-3,AVP-4,AVP-5,AVP-6,AVP-7,Sv,Sse,Spe,Sare,Sp,Si,Mv,Mse,Mpe,Mare,Mp,Mi,CrippenLogP,CrippenMR,SpMax_Dt,SpDiam_Dt,SpAD_Dt,SpMAD_Dt,EE_Dt,VE1_Dt,VE2_Dt,VE3_Dt,VR1_Dt,VR2_Dt,VR3_Dt,ECCEN,nHBd,nwHBd,nHBa,nwHBa,nHBint2,nHBint3,nHBint4,nHBint5,nHBint6,nHBint7,nHBint8,nHBint9,nHBint10,nHsOH,nHdNH,nHsSH,nHsNH2,nHssNH,nHaaNH,nHsNH3p,nHssNH2p,nHsssNHp,nHtCH,nHdCH2,nHdsCH,nHaaCH,nHCHnX,nHCsats,nHCsatu,nHAvin,nHother,nHmisc,nsLi,nssBe,nssssBem,nsBH2,nssBH,nsssB,nssssBm,nsCH3,ndCH2,nssCH2,ntCH,ndsCH,naaCH,nsssCH,nddC,ntsC,ndssC,naasC,naaaC,nssssC,nsNH3p,nsNH2,nssNH2p,ndNH,nssNH,naaNH,ntN,nsssNHp,ndsN,naaN,nsssN,nddsN,naasN,nssssNp,nsOH,ndO,nssO,naaO,naOm,nsOm,nsF,nsSiH3,nssSiH2,nsssSiH,nssssSi,nsPH2,nssPH,nsssP,ndsssP,nddsP,nsssssP,nsSH,ndS,nssS,naaS,ndssS,nddssS,nssssssS,nSm,nsCl,nsGeH3,nssGeH2,nsssGeH,nssssGe,nsAsH2,nssAsH,nsssAs,ndsssAs,nddsAs,nsssssAs,nsSeH,ndSe,nssSe,naaSe,ndssSe,nssssssSe,nddssSe,nsBr,nsSnH3,nssSnH2,nsssSnH,nssssSn,nsI,nsPbH3,nssPbH2,nsssPbH,nssssPb,SHBd,SwHBd,SHBa,SwHBa,SHBint2,SHBint3,SHBint4,SHBint5,SHBint6,SHBint7,SHBint8,SHBint9,SHBint10,SHsOH,SHdNH,SHsSH,SHsNH2,SHssNH,SHaaNH,SHsNH3p,SHssNH2p,SHsssNHp,SHtCH,SHdCH2,SHdsCH,SHaaCH,SHCHnX,SHCsats,SHCsatu,SHAvin,SHother,SHmisc,SsLi,SssBe,SssssBem,SsBH2,SssBH,SsssB,SssssBm,SsCH3,SdCH2,SssCH2,StCH,SdsCH,SaaCH,SsssCH,SddC,StsC,SdssC,SaasC,SaaaC,SssssC,SsNH3p,SsNH2,SssNH2p,SdNH,SssNH,SaaNH,StN,SsssNHp,SdsN,SaaN,SsssN,SddsN,SaasN,SssssNp,SsOH,SdO,SssO,SaaO,SaOm,SsOm,SsF,SsSiH3,SssSiH2,SsssSiH,SssssSi,SsPH2,SssPH,SsssP,SdsssP,SddsP,SsssssP,SsSH,SdS,SssS,SaaS,SdssS,SddssS,SssssssS,SSm,SsCl,SsGeH3,SssGeH2,SsssGeH,SssssGe,SsAsH2,SssAsH,SsssAs,SdsssAs,SddsAs,SsssssAs,SsSeH,SdSe,SssSe,SaaSe,SdssSe,SssssssSe,SddssSe,SsBr,SsSnH3,SssSnH2,SsssSnH,SssssSn,SsI,SsPbH3,SssPbH2,SsssPbH,SssssPb,minHBd,minwHBd,minHBa,minwHBa,minHBint2,minHBint3,minHBint4,minHBint5,minHBint6,minHBint7,minHBint8,minHBint9,minHBint10,minHsOH,minHdNH,minHsSH,minHsNH2,minHssNH,minHaaNH,minHsNH3p,minHssNH2p,minHsssNHp,minHtCH,minHdCH2,minHdsCH,minHaaCH,minHCHnX,minHCsats,minHCsatu,minHAvin,minHother,minHmisc,minsLi,minssBe,minssssBem,minsBH2,minssBH,minsssB,minssssBm,minsCH3,mindCH2,minssCH2,mintCH,mindsCH,minaaCH,minsssCH,minddC,mintsC,mindssC,minaasC,minaaaC,minssssC,minsNH3p,minsNH2,minssNH2p,mindNH,minssNH,minaaNH,mintN,minsssNHp,mindsN,minaaN,minsssN,minddsN,minaasN,minssssNp,minsOH,mindO,minssO,minaaO,minaOm,minsOm,minsF,minsSiH3,minssSiH2,minsssSiH,minssssSi,minsPH2,minssPH,minsssP,mindsssP,minddsP,minsssssP,minsSH,mindS,minssS,minaaS,mindssS,minddssS,minssssssS,minSm,minsCl,minsGeH3,minssGeH2,minsssGeH,minssssGe,minsAsH2,minssAsH,minsssAs,mindsssAs,minddsAs,minsssssAs,minsSeH,mindSe,minssSe,minaaSe,mindssSe,minssssssSe,minddssSe,minsBr,minsSnH3,minssSnH2,minsssSnH,minssssSn,minsI,minsPbH3,minssPbH2,minsssPbH,minssssPb,maxHBd,maxwHBd,maxHBa,maxwHBa,maxHBint2,maxHBint3,maxHBint4,maxHBint5,maxHBint6,maxHBint7,maxHBint8,maxHBint9,maxHBint10,maxHsOH,maxHdNH,maxHsSH,maxHsNH2,maxHssNH,maxHaaNH,maxHsNH3p,maxHssNH2p,maxHsssNHp,maxHtCH,maxHdCH2,maxHdsCH,maxHaaCH,maxHCHnX,maxHCsats,maxHCsatu,maxHAvin,maxHother,maxHmisc,maxsLi,maxssBe,maxssssBem,maxsBH2,maxssBH,maxsssB,maxssssBm,maxsCH3,maxdCH2,maxssCH2,maxtCH,maxdsCH,maxaaCH,maxsssCH,maxddC,maxtsC,maxdssC,maxaasC,maxaaaC,maxssssC,maxsNH3p,maxsNH2,maxssNH2p,maxdNH,maxssNH,maxaaNH,maxtN,maxsssNHp,maxdsN,maxaaN,maxsssN,maxddsN,maxaasN,maxssssNp,maxsOH,maxdO,maxssO,maxaaO,maxaOm,maxsOm,maxsF,maxsSiH3,maxssSiH2,maxsssSiH,maxssssSi,maxsPH2,maxssPH,maxsssP,maxdsssP,maxddsP,maxsssssP,maxsSH,maxdS,maxssS,maxaaS,maxdssS,maxddssS,maxssssssS,maxSm,maxsCl,maxsGeH3,maxssGeH2,maxsssGeH,maxssssGe,maxsAsH2,maxssAsH,maxsssAs,maxdsssAs,maxddsAs,maxsssssAs,maxsSeH,maxdSe,maxssSe,maxaaSe,maxdssSe,maxssssssSe,maxddssSe,maxsBr,maxsSnH3,maxssSnH2,maxsssSnH,maxssssSn,maxsI,maxsPbH3,maxssPbH2,maxsssPbH,maxssssPb,sumI,meanI,hmax,gmax,hmin,gmin,LipoaffinityIndex,MAXDN,MAXDP,DELS,MAXDN2,MAXDP2,DELS2,ETA_Alpha,ETA_AlphaP,ETA_dAlpha_A,ETA_dAlpha_B,ETA_Epsilon_1,ETA_Epsilon_2,ETA_Epsilon_3,ETA_Epsilon_4,ETA_Epsilon_5,ETA_dEpsilon_A,ETA_dEpsilon_B,ETA_dEpsilon_C,ETA_dEpsilon_D,ETA_Psi_1,ETA_dPsi_A,ETA_dPsi_B,ETA_Shape_P,ETA_Shape_Y,ETA_Shape_X,ETA_Beta,ETA_BetaP,ETA_Beta_s,ETA_BetaP_s,ETA_Beta_ns,ETA_BetaP_ns,ETA_dBeta,ETA_dBetaP,ETA_Beta_ns_d,ETA_BetaP_ns_d,ETA_Eta,ETA_EtaP,ETA_Eta_R,ETA_Eta_F,ETA_EtaP_F,ETA_Eta_L,ETA_EtaP_L,ETA_Eta_R_L,ETA_Eta_F_L,ETA_EtaP_F_L,ETA_Eta_B,ETA_EtaP_B,ETA_Eta_B_RC,ETA_EtaP_B_RC,FMF,fragC,nHBAcc,nHBAcc2,nHBAcc3,nHBAcc_Lipinski,nHBDon,nHBDon_Lipinski,HybRatio,IC0,IC1,IC2,IC3,IC4,IC5,TIC0,TIC1,TIC2,TIC3,TIC4,TIC5,SIC0,SIC1,SIC2,SIC3,SIC4,SIC5,CIC0,CIC1,CIC2,CIC3,CIC4,CIC5,BIC0,BIC1,BIC2,BIC3,BIC4,BIC5,MIC0,MIC1,MIC2,MIC3,MIC4,MIC5,ZMIC0,ZMIC1,ZMIC2,ZMIC3,ZMIC4,ZMIC5,Kier1,Kier2,Kier3,nAtomLC,nAtomP,nAtomLAC,MLogP,McGowan_Volume,MDEC-11,MDEC-12,MDEC-13,MDEC-14,MDEC-22,MDEC-23,MDEC-24,MDEC-33,MDEC-34,MDEC-44,MDEO-11,MDEO-12,MDEO-22,MDEN-11,MDEN-12,MDEN-13,MDEN-22,MDEN-23,MDEN-33,MLFER_A,MLFER_BH,MLFER_BO,MLFER_S,MLFER_E,MLFER_L,MPC2,MPC3,MPC4,MPC5,MPC6,MPC7,MPC8,MPC9,MPC10,TPC,piPC1,piPC2,piPC3,piPC4,piPC5,piPC6,piPC7,piPC8,piPC9,piPC10,TpiPC,R_TpiPCTPC,PetitjeanNumber,nRing,n3Ring,n4Ring,n5Ring,n6Ring,n7Ring,n8Ring,n9Ring,n10Ring,n11Ring,n12Ring,nG12Ring,nFRing,nF4Ring,nF5Ring,nF6Ring,nF7Ring,nF8Ring,nF9Ring,nF10Ring,nF11Ring,nF12Ring,nFG12Ring,nTRing,nT4Ring,nT5Ring,nT6Ring,nT7Ring,nT8Ring,nT9Ring,nT10Ring,nT11Ring,nT12Ring,nTG12Ring,nHeteroRing,n3HeteroRing,n4HeteroRing,n5HeteroRing,n6HeteroRing,n7HeteroRing,n8HeteroRing,n9HeteroRing,n10HeteroRing,n11HeteroRing,n12HeteroRing,nG12HeteroRing,nFHeteroRing,nF4HeteroRing,nF5HeteroRing,nF6HeteroRing,nF7HeteroRing,nF8HeteroRing,nF9HeteroRing,nF10HeteroRing,nF11HeteroRing,nF12HeteroRing,nFG12HeteroRing,nTHeteroRing,nT4HeteroRing,nT5HeteroRing,nT6HeteroRing,nT7HeteroRing,nT8HeteroRing,nT9HeteroRing,nT10HeteroRing,nT11HeteroRing,nT12HeteroRing,nTG12HeteroRing,nRotB,RotBFrac,nRotBt,RotBtFrac,LipinskiFailures,topoRadius,topoDiameter,topoShape,GGI1,GGI2,GGI3,GGI4,GGI5,GGI6,GGI7,GGI8,GGI9,GGI10,JGI1,JGI2,JGI3,JGI4,JGI5,JGI6,JGI7,JGI8,JGI9,JGI10,JGT,SpMax_D,SpDiam_D,SpAD_D,SpMAD_D,EE_D,VE1_D,VE2_D,VE3_D,VR1_D,VR2_D,VR3_D,TopoPSA,VABC,VAdjMat,MWC2,MWC3,MWC4,MWC5,MWC6,MWC7,MWC8,MWC9,MWC10,TWC,SRW2,SRW3,SRW4,SRW5,SRW6,SRW7,SRW8,SRW9,SRW10,TSRW,MW,AMW,WTPT-1,WTPT-2,WTPT-3,WTPT-4,WTPT-5,WPATH,WPOL,XLogP,Zagreb,TDB1u,TDB2u,TDB3u,TDB4u,TDB5u,TDB6u,TDB7u,TDB8u,TDB9u,TDB10u,TDB1m,TDB2m,TDB3m,TDB4m,TDB5m,TDB6m,TDB7m,TDB8m,TDB9m,TDB10m,TDB1v,TDB2v,TDB3v,TDB4v,TDB5v,TDB6v,TDB7v,TDB8v,TDB9v,TDB10v,TDB1e,TDB2e,TDB3e,TDB4e,TDB5e,TDB6e,TDB7e,TDB8e,TDB9e,TDB10e,TDB1p,TDB2p,TDB3p,TDB4p,TDB5p,TDB6p,TDB7p,TDB8p,TDB9p,TDB10p,TDB1i,TDB2i,TDB3i,TDB4i,TDB5i,TDB6i,TDB7i,TDB8i,TDB9i,TDB10i,TDB1s,TDB2s,TDB3s,TDB4s,TDB5s,TDB6s,TDB7s,TDB8s,TDB9s,TDB10s,TDB1r,TDB2r,TDB3r,TDB4r,TDB5r,TDB6r,TDB7r,TDB8r,TDB9r,TDB10r,PPSA-1,PPSA-2,PPSA-3,PNSA-1,PNSA-2,PNSA-3,DPSA-1,DPSA-2,DPSA-3,FPSA-1,FPSA-2,FPSA-3,FNSA-1,FNSA-2,FNSA-3,WPSA-1,WPSA-2,WPSA-3,WNSA-1,WNSA-2,WNSA-3,RPCG,RNCG,RPCS,RNCS,THSA,TPSA,RHSA,RPSA,GRAV-1,GRAV-2,GRAV-3,GRAVH-1,GRAVH-2,GRAVH-3,GRAV-4,GRAV-5,GRAV-6,LOBMAX,LOBMIN,MOMI-X,MOMI-Y,MOMI-Z,MOMI-XY,MOMI-XZ,MOMI-YZ,MOMI-R,geomRadius,geomDiameter,geomShape,RDF10u,RDF15u,RDF20u,RDF25u,RDF30u,RDF35u,RDF40u,RDF45u,RDF50u,RDF55u,RDF60u,RDF65u,RDF70u,RDF75u,RDF80u,RDF85u,RDF90u,RDF95u,RDF100u,RDF105u,RDF110u,RDF115u,RDF120u,RDF125u,RDF130u,RDF135u,RDF140u,RDF145u,RDF150u,RDF155u,RDF10m,RDF15m,RDF20m,RDF25m,RDF30m,RDF35m,RDF40m,RDF45m,RDF50m,RDF55m,RDF60m,RDF65m,RDF70m,RDF75m,RDF80m,RDF85m,RDF90m,RDF95m,RDF100m,RDF105m,RDF110m,RDF115m,RDF120m,RDF125m,RDF130m,RDF135m,RDF140m,RDF145m,RDF150m,RDF155m,RDF10v,RDF15v,RDF20v,RDF25v,RDF30v,RDF35v,RDF40v,RDF45v,RDF50v,RDF55v,RDF60v,RDF65v,RDF70v,RDF75v,RDF80v,RDF85v,RDF90v,RDF95v,RDF100v,RDF105v,RDF110v,RDF115v,RDF120v,RDF125v,RDF130v,RDF135v,RDF140v,RDF145v,RDF150v,RDF155v,RDF10e,RDF15e,RDF20e,RDF25e,RDF30e,RDF35e,RDF40e,RDF45e,RDF50e,RDF55e,RDF60e,RDF65e,RDF70e,RDF75e,RDF80e,RDF85e,RDF90e,RDF95e,RDF100e,RDF105e,RDF110e,RDF115e,RDF120e,RDF125e,RDF130e,RDF135e,RDF140e,RDF145e,RDF150e,RDF155e,RDF10p,RDF15p,RDF20p,RDF25p,RDF30p,RDF35p,RDF40p,RDF45p,RDF50p,RDF55p,RDF60p,RDF65p,RDF70p,RDF75p,RDF80p,RDF85p,RDF90p,RDF95p,RDF100p,RDF105p,RDF110p,RDF115p,RDF120p,RDF125p,RDF130p,RDF135p,RDF140p,RDF145p,RDF150p,RDF155p,RDF10i,RDF15i,RDF20i,RDF25i,RDF30i,RDF35i,RDF40i,RDF45i,RDF50i,RDF55i,RDF60i,RDF65i,RDF70i,RDF75i,RDF80i,RDF85i,RDF90i,RDF95i,RDF100i,RDF105i,RDF110i,RDF115i,RDF120i,RDF125i,RDF130i,RDF135i,RDF140i,RDF145i,RDF150i,RDF155i,RDF10s,RDF15s,RDF20s,RDF25s,RDF30s,RDF35s,RDF40s,RDF45s,RDF50s,RDF55s,RDF60s,RDF65s,RDF70s,RDF75s,RDF80s,RDF85s,RDF90s,RDF95s,RDF100s,RDF105s,RDF110s,RDF115s,RDF120s,RDF125s,RDF130s,RDF135s,RDF140s,RDF145s,RDF150s,RDF155s,L1u,L2u,L3u,P1u,P2u,E1u,E2u,E3u,Tu,Au,Vu,Ku,Du,L1m,L2m,L3m,P1m,P2m,E1m,E2m,E3m,Tm,Am,Vm,Km,Dm,L1v,L2v,L3v,P1v,P2v,E1v,E2v,E3v,Tv,Av,Vv,Kv,Dv,L1e,L2e,L3e,P1e,P2e,E1e,E2e,E3e,Te,Ae,Ve,Ke,De,L1p,L2p,L3p,P1p,P2p,E1p,E2p,E3p,Tp,Ap,Vp,Kp,Dp,L1i,L2i,L3i,P1i,P2i,E1i,E2i,E3i,Ti,Ai,Vi,Ki,Di,L1s,L2s,L3s,P1s,P2s,E1s,E2s,E3s,Ts,As,Vs,Ks,Ds +UMLRON0001,L,1-Butanol,CCCCO,263,,"Sandia, UML",[6],C4H10O,PubChem,,98,0,-0.9734,0.94750756,18.9987,14.50993,0,0,15,5,10,0,4,0,1,0,0,0,0,0,0,0,843.185125,750.047136,688.541831,506.009998,309.253269,68.616576,3.048192,0,0,2221.295828,2687.923385,3106.605663,2534.97974,1528.181395,609.4474637,93.25123329,0,0,110.69842,106.185288,184.014884,215.18848,152.30358,89.278848,20.155392,0,0,16.24493305,20.26270678,26.24397374,23.44702555,14.42549669,6.274751507,1.333838715,0,0,2541.80523,2097.013603,4030.522174,5140.414147,3661.458992,2188.016594,554.7529561,0,0,56.75,37.5,54.25,56,46,28,3,0,0,56.21234167,53.57479543,27.54167324,16.86699993,14.72634614,5.718048,1.016064,0,0,148.0863886,191.9945275,124.2642265,84.49932466,72.77054261,50.78728864,31.08374443,0,0,7.379894667,7.584663429,7.36059536,7.172949333,7.252551429,7.439904,6.718464,0,0,1.082995537,1.447336198,1.04975895,0.781567518,0.686928414,0.522895959,0.444612905,0,0,169.453682,149.7866859,161.220887,171.3471382,174.3551901,182.3347162,184.917652,0,0,3.783333333,2.678571429,2.17,1.866666667,2.19047619,2.333333333,1,0,0,0.221463872,-0.100613777,-0.030158905,0.016432609,0.011322932,-0.022190869,0.014476074,0,0,476.9038497,-65.66428988,-205.3403696,10.64104747,10.00488171,-34.51124805,46.41805345,0,0,665.1575892,-80.97945498,-321.9485115,-25.78042202,-27.158369,59.52809795,63.75986495,0,0,1.034995733,-0.103350151,-0.159895289,-0.017675733,-0.050654293,-0.223464853,0.037542453,0,0,2.896898448,-0.288018268,-1.322907936,-0.282437247,-0.312574207,0.528072509,0.229415925,0,0,16.06108614,-1.477481838,-7.038127154,-1.840667446,-2.063026849,3.227370407,1.161389809,0,0,23,-3,-3.5,-1,0.25,-5,0.75,0,0,0.014764258,-0.007186698,-0.001206356,5.48E-04,5.39E-04,-0.001849239,0.004825358,0,0,31.79358998,-4.69030642,-8.213614782,0.354701582,0.476422938,-2.875937338,15.47268448,0,0,44.34383928,-5.784246784,-12.87794046,-0.859347401,-1.293255667,4.960674829,21.25328832,0,0,0.068999716,-0.007382154,-0.006395812,-5.89E-04,-0.002412109,-0.018622071,0.012514151,0,0,0.193126563,-0.020572733,-0.052916317,-0.009414575,-0.014884486,0.044006042,0.076471975,0,0,1.070739076,-0.105534417,-0.281525086,-0.061355582,-0.098239374,0.268947534,0.387129936,0,0,1.533333333,-0.214285714,-0.14,-0.033333333,0.011904762,-0.416666667,0.25,0,0,-0.486763256,-0.081707878,0.037099977,0.036519765,-0.125251064,0.326826979,0,0,-0.147523649,-0.258341848,0.011156387,0.014984874,-0.090456515,0.486660503,0,0,-0.130440821,-0.290411039,-0.019379184,-0.029164269,0.111868411,0.479283902,0,0,-0.106988175,-0.092693303,-0.008539037,-0.034958249,-0.269886201,0.181365257,0,0,-0.106524618,-0.273998131,-0.048748213,-0.077071149,0.227861158,0.395968186,0,0,-0.098562217,-0.262925948,-0.057302085,-0.091749125,0.251179339,0.361553944,0,0,-0.139751553,-0.091304348,-0.02173913,0.007763975,-0.27173913,0.163043478,0,0,1.375356834,0.821897727,0.682609768,0.955591794,1.778836743,1.101933178,0,0,1.394650417,1.268349503,0.82002349,0.832984371,0.972731675,0,0,0,1.611680217,1.411508446,0.860363598,0.777814511,0.416979426,0,0,0,1.046261318,0.923104559,0.747867302,1.037829721,1.920357031,0,0,0,1.696559902,1.438220674,0.874263773,0.785729024,0.213701818,0,0,0,1.704790797,1.431225051,0.874997207,0.796152674,0.198598347,0,0,0,1.086956522,0.919130435,0.755797101,1,1.927536232,0,0,0,15.58105062,7.915525311,12.90613438,15.73105062,3.146210125,7.916384149,0.25,0.042274287,0.008454857,-1.581788125,20.35201016,4.070402032,1.506589843,15.5839676,7.916616588,12.90787342,15.73352694,3.146705389,7.91747431,0.249265579,0.042152822,0.008430564,-1.583226827,20.37612714,4.075225429,1.507181989,18.17335956,8.88718254,14.62523348,17.93396287,3.586792574,8.887473149,-0.398994478,0.067863368,0.013572674,-1.345129442,18.45809032,3.691618063,1.457751387,15.58702903,7.917761913,12.90969902,15.73612591,3.147225181,7.918618465,0.2484948,0.042025321,0.008405064,-1.58474148,20.4015556,4.08031112,1.507805576,20.92491722,9.921311478,16.81537439,20.27554066,4.055108132,9.921410763,-1.082294264,0.165794853,0.033158971,-0.89850204,16.8959111,3.379182221,1.413535823,15.88658753,8.029860858,13.0905476,15.99046804,3.198093608,8.030611345,0.173134186,0.029457388,0.005891478,-1.762405261,23.67108217,4.734216433,1.582127071,15.0798354,7.873251034,13.0596608,15.4798354,3.09596708,7.87430683,0.666666667,0.07956853,0.015913706,-1.265568308,15.27104498,3.054208996,1.362979275,0,11.99646149,15.99794197,-0.421714133,0.069647739,3.787719458,5.991011473,4,14,14,14,4,0,0,0,0,0,10.93207,3.373406743,2.825330819,2.096684625,1.461330604,1.128640555,0.083923071,0.083923071,0.083923071,1.817379449,1.40522295,0.924562135,0.599915497,0.386668987,0.083923071,0.083923071,0.083923071,3.379324769,2.790711346,2.051643082,1.457496366,1.156467033,0.270913902,0.270913902,0.270913902,1.763125472,1.353771324,0.851363369,0.484188864,0.313824953,0.270913902,0.270913902,0.270913902,3.540932969,3.055207466,2.435249073,1.941863579,1.712950339,0.943918427,0.943918427,0.943918427,1.547645076,1.030923922,0.407980321,0.049432259,0.301168549,0.943918427,0.943918427,0.943918427,3.397390649,2.806465896,2.075989672,1.507823945,1.189855004,0.399277246,0.399277246,0.399277246,1.729770649,1.322120441,0.80419374,0.410376,0.234438588,0.399277246,0.399277246,0.399277246,3.602427822,3.132201332,2.547487102,2.101334039,1.896289791,1.207644823,1.207644823,1.207644823,1.486825757,0.948908366,0.287628636,0.218036002,0.473196859,1.207644823,1.207644823,1.207644823,4.359181399,3.353072127,2.656208105,1.931392827,1.528813409,0.615384615,0.615384615,0.615384615,1.6342312,1.07411322,0.517367472,0.165020013,0.331294806,0.615384615,0.615384615,0.615384615,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,3.568533939,2.023334547,1.077160188,0.511667274,0.158113883,0,0,0,0.713706788,0.505833637,0.359053396,0.255833637,0.158113883,0,0,0,7.423938123,14.76984705,13.97647059,14.2,8.473011976,116.5531018,0.494929208,0.98465647,0.931764706,0.946666667,0.564867465,7.770206786,0.7788,21.9938,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,1,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.736388889,0,8.06625,0,0,0,0,0,0,0,0,0,0,0.736388889,0,0,0,0,0,0,0,0,0,0,0,0,0,1.263611111,0,0,0,0,0,0,0,0,0,0,0,2.051805556,0,2.381944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.06625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.736388889,0,8.06625,0,0,0,0,0,0,0,0,0,0,0.736388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,2.051805556,0,0.34375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.06625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.736388889,0,8.06625,0,0,0,0,0,0,0,0,0,0,0.736388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.051805556,0,1.09375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.06625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.5,2.5,0.736388889,8.06625,0.24,0.34375,2.034477222,1.15625,2.06625,4.236111111,1.15625,2.06625,4.236111111,2.33333,0.46667,0,0.03333,0.48444,0.85333,0.41765,0.48444,0.76111,0.0668,0,-0.0668,0.09222,0.54687,0.16742,0,0.35714,0,0,2.25,0.45,2.25,0.45,0,0,-2.25,-0.45,0,0,3.42343,0.68469,4.09272,0.66929,0.13386,2.07596,0.41519,2.41421,0.33826,0.06765,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4.01,1,1,1,1,1,1,1,1.158938532,1.871602261,2.923231429,3.056564762,2.605788524,2.020934564,17.38407799,28.07403392,43.84847143,45.84847143,39.08682786,30.31401845,0.296639618,0.479051618,0.748224543,0.782352279,0.666972484,0.517274419,2.747952063,2.035288334,0.983659167,0.850325833,1.301102071,1.885956032,0.304394667,0.491575464,0.767785376,0.802805314,0.684409144,0.530797523,10.66110191,15.77621224,18.30169377,16.97044711,15.11875186,8.8032914,18.1875248,14.100286,12.79750363,13.83934112,11.22434889,6.850389104,5,4,4,5,0,4,1.79,0.7309,0,1.650963624,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.385,0.375,0.449,0.205,2.62,3,2,1,0,0,0,0,0,0,15,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,0,0,2.772588722,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.5,4,1,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,20.23,86.5306239,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,74.07316494,4.938210996,8.849873734,1.769974747,2.362436867,2.362436867,0,20,2,0.851,14,1.209285714,2.097852699,2.802889813,3.435509375,4.700723838,4.960986366,0,0,0,0,76.07321488,64.49502832,57.54419705,66.53786126,28.81132937,5.040679651,0,0,0,0,256.146358,277.922541,256.3916296,288.2198231,244.9540464,154.2060323,0,0,0,0,9.195663069,15.50174037,20.19157947,25.37015006,35.33531078,33.3302083,0,0,0,0,1.87702597,2.303263075,2.285379279,2.562517652,2.465664944,2.205718559,0,0,0,0,178.755922,335.1714249,477.8660488,590.3531373,857.3437606,917.3739505,0,0,0,0,3.313392857,4.682994383,5.467251177,8.673297838,11.62481735,4.960986366,0,0,0,0,0.417144579,0.524334944,0.536461801,0.64135583,0.668289869,0.508005004,0,0,0,0,323.6297928,176.355474,16.30006711,167.566408,-91.31190632,-22.58662632,156.0633847,267.6673803,38.88669344,0.658860537,0.359032651,0.033184432,0.341139463,-0.185897013,-0.045982901,158.9657247,86.62513883,8.006531038,82.30798301,-44.85206147,-11.09446504,0.384863517,0.726159519,13.29882006,27.31854242,419.0209812,72.1752196,0.853062342,0.146937658,283.9246063,16.8500625,6.572556742,389.1388631,19.72660293,7.300762184,396.9481567,19.92355783,7.34927666,1.902541647,1.902541647,257.2527102,241.6123145,28.99894346,1.064733438,8.871106305,8.331762665,3.213164655,3.220194404,5.518792456,0.713807231,3.224442391,3.228352994,3.300854476,9.519065378,3.396591357,0.093761667,2.839393096,4.428327212,0.957153261,2.036328689,1.76E-10,3.08E-42,1.04E-95,6.80E-171,8.56E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290510157,3.355246562,0.300972894,2.297657719,0.025975326,0.023726242,0.34105391,0.194190715,0.133717689,0.216562637,1.96E-11,3.44E-43,1.16E-96,7.60E-172,9.57E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.81835312,3.119021011,0.71493495,2.770282347,0.254564647,0.018976335,0.636498796,0.73049226,0.131717498,0.381618839,3.40E-11,5.96E-43,2.02E-96,1.32E-171,1.66E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.266568655,3.354890369,3.606201414,8.970129942,3.027715508,0.091348411,3.300700798,4.083943143,0.894944248,2.51910812,2.21E-10,3.87E-42,1.31E-95,8.54E-171,1.07E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.139201109,3.029262083,0.916235511,3.350983291,0.547896848,0.021814432,0.728049073,1.188207541,0.183336436,0.387045622,3.37E-11,5.91E-43,2.00E-96,1.30E-171,1.64E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.074611356,3.308579144,4.464332488,12.82309986,4.946913721,0.131044127,3.950430227,5.95734363,1.372053915,2.973853707,2.56E-10,4.50E-42,1.52E-95,9.93E-171,1.25E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.20739713,3.998451051,4.605003377,6.304014578,1.291534239,0.088302127,5.048163791,2.26515694,0.761689797,4.426730606,3.99E-10,7.00E-42,2.37E-95,1.54E-170,1.94E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.104441872,0.78641944,0.44182761,0.716516216,0.181508401,0.576245927,0.594575939,0.533317806,4.332688922,4.160483392,9.571847342,0.574774324,1.704139672,3.36698612,0.301284008,0.090126323,0.895857093,0.080162913,0.677266333,0.085943812,0.022191348,3.758396452,1.345026772,5.194849085,0.84378564,0.785401493,2.938599034,0.513967512,0.241847197,0.795416875,0.139120182,0.516295335,0.253968102,0.159794747,3.694413744,2.345337977,6.40502429,0.693125312,0.930058184,3.2066033,0.761186791,0.423547943,0.730210992,0.173338237,0.614349862,0.556610173,0.490100939,4.391338034,4.121373408,9.546517459,0.595316487,1.661060974,2.832999009,0.609286106,0.312306376,0.754542542,0.162277603,0.480727587,0.355730608,0.266466172,3.754591491,2.801154526,7.094820219,0.631813813,1.102924367,3.158375872,0.815250757,0.463012791,0.711884734,0.183754117,0.596282243,0.638980155,0.585688044,4.43663942,4.414708278,10.04354467,0.5678271,1.820950441,3.213782887,0.762421491,0.424669256,0.730260206,0.173243214,0.617115045,0.558451698,0.492699389,4.400873634,4.138828895,9.580251406,0.595390309,1.668266132 +UMLRON0002,L,Ethanol,CCO,702,,"Sandia, UML",[6],C2H6O,PubChem,,109,0,-0.1076,0.01157776,12.5551,8.322758,0,0,9,3,6,0,2,0,1,0,0,0,0,0,0,0,550.592627,413.090542,301.124757,68.616576,3.048192,0,0,0,0,1249.927047,1381.943116,1279.511439,609.4474637,93.25123329,0,0,0,0,68.743532,62.633728,98.555868,89.278848,20.155392,0,0,0,0,8.888681429,10.23072954,10.86859345,6.274751507,1.333838715,0,0,0,0,1548.54591,1230.9347,2182.117776,2188.016594,554.7529561,0,0,0,0,48.25,27,38,28,3,0,0,0,0,61.17695856,51.63631775,23.16344285,5.718048,1.016064,0,0,0,0,138.880783,172.7428895,98.42395687,50.78728864,31.08374443,0,0,0,0,7.638170222,7.829216,7.581220615,7.439904,6.718464,0,0,0,0,0.98763127,1.278841192,0.83604565,0.522895959,0.444612905,0,0,0,0,172.0606567,153.8668375,167.8552136,182.3347162,184.917652,0,0,0,0,5.361111111,3.375,2.923076923,2.333333333,1,0,0,0,0,0.212328611,-0.099523291,-0.015583991,-0.006955538,0.015898515,0,0,0,0,314.7756536,-63.89650894,-116.86383,-27.32296963,50.69548181,0,0,0,0,363.4566524,-88.00132618,-193.0207684,42.54529023,56.74847822,0,0,0,0,0.966731556,-0.138220938,-0.184296691,-0.230362963,0.069514815,0,0,0,0,1.521513891,-0.379058755,-0.895815807,0.344245746,0.169871871,0,0,0,0,8.524803221,-2.095152562,-5.003585488,2.03320091,0.80313553,0,0,0,0,21.55555556,-4.382716049,-2.663580247,-5.296296296,1.564814815,0,0,0,0,0.023592068,-0.012440411,-0.001198769,-5.80E-04,0.005299505,0,0,0,0,34.97507262,-7.987063617,-8.989525387,-2.276914136,16.89849394,0,0,0,0,40.38407248,-11.00016577,-14.84775142,3.545440852,18.91615941,0,0,0,0,0.107414617,-0.017277617,-0.014176669,-0.019196914,0.023171605,0,0,0,0,0.169057099,-0.047382344,-0.068908908,0.028687145,0.056623957,0,0,0,0,0.947200358,-0.26189407,-0.384891191,0.169433409,0.267711843,0,0,0,0,2.395061728,-0.547839506,-0.204890788,-0.441358025,0.521604938,0,0,0,0,-0.527313308,-0.050812357,-0.024568774,0.224630796,0,0,0,0,-0.228364461,-0.25702664,-0.065101055,0.483158223,0,0,0,0,-0.272388719,-0.367663549,0.087793049,0.468406435,0,0,0,0,-0.160849777,-0.131980813,-0.178717888,0.215721152,0,0,0,0,-0.280274207,-0.407607304,0.169689091,0.334939835,0,0,0,0,-0.276492791,-0.406346121,0.178878109,0.282634863,0,0,0,0,-0.228737113,-0.085547185,-0.184278351,0.217783505,0,0,0,0,1.362086589,0.843193013,1.018268754,0.640857691,0,0,0,0,1.343757467,1.164942368,0.842140789,0,0,0,0,0,1.710703317,1.313971252,0.436062266,0,0,0,0,0,1.071077068,1.025644043,1.174834241,0,0,0,0,0,1.907253819,1.380918473,0.232502442,0,0,0,0,0,1.929307462,1.384601509,0.213810057,0,0,0,0,0,1.136597938,0.984932593,1.175257732,0,0,0,0,0,4.730475337,2.490237669,4.158938287,4.81380867,1.60460289,2.625920833,0.25,0.039532628,0.013177543,-0.969188679,5.769144711,1.923048237,0.525757152,4.732622817,2.490944198,4.16047066,4.815711343,1.605237114,2.626501376,0.249265579,0.039389126,0.013129709,-0.970279649,5.778099001,1.926033,0.526222421,6.642353015,3.121679268,5.787958589,6.509354855,2.169784952,3.185504841,-0.398994478,0.02741894,0.009139647,-1.078956376,5.910236074,1.970078691,0.533005733,4.734876667,2.491685733,4.162079956,4.817708267,1.605902756,2.627110844,0.2484948,0.039238659,0.013079553,-0.971427844,5.787544407,1.929181469,0.526712428,8.671219128,3.794462432,7.741981671,8.310454374,2.770151458,3.825778388,-1.082294264,0.034659876,0.011553292,-1.008651773,4.697206729,1.565735576,0.464090406,4.955509715,2.56432195,4.324553094,5.01322111,1.671073703,2.687570852,0.173134186,0.025291661,0.008430554,-1.103184163,7.024877856,2.341625952,0.584837348,3.685520208,2.176093437,3.518853542,3.90774243,1.30258081,2.390542919,0.666666667,0.190604592,0.063534864,-0.497266259,3.74944391,1.249814637,0.396482262,0,11.99668808,15.99794144,-0.422125211,0.066940864,3.312473146,4.351780764,2,8,8,8,2,0,0,0,0,0,6.559242,3.159863642,2.133604852,1.244091518,0.083923071,0.083923071,0.083923071,0.391069962,0.911191698,1.651500167,0.911191698,0.391069962,0.083923071,0.083923071,0.083923071,1.244091518,2.133604852,3.122199848,2.025860671,1.192988938,0.270913902,0.270913902,0.270913902,0.33638398,0.8681387,1.608985968,0.8681387,0.33638398,0.270913902,0.270913902,0.270913902,1.192988938,2.025860671,3.353704786,2.463557672,1.770563932,0.943918427,0.943918427,0.943918427,0.287845774,0.386634713,1.326619389,0.386634713,0.287845774,0.943918427,0.943918427,0.943918427,1.770563932,2.463557672,3.133535153,2.034425485,1.20896877,0.399277246,0.399277246,0.399277246,0.275176497,0.840005264,1.58367639,0.840005264,0.275176497,0.399277246,0.399277246,0.399277246,1.20896877,2.034425485,3.417682016,2.562928599,1.93180127,1.207644823,1.207644823,1.207644823,0.449104874,0.271694726,1.257501492,0.271694726,0.449104874,1.207644823,1.207644823,1.207644823,1.93180127,2.562928599,4.148507172,2.890490184,1.719796312,0.571428571,0.571428571,0.571428571,0.270744147,0.49630498,1.390375691,0.49630498,0.270744147,0.571428571,0.571428571,0.571428571,1.719796312,2.890490184,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.707106781,1.414213562,0.707106781,0,0,0,0,0,0.902368927,0.707106781,0.707106781,0,0,0,0,0,2.154320377,1.023334547,0.316227766,0,0,0,0,0,0.718106792,0.511667274,0.316227766,0,0,0,0,0,4.340282516,8.994173343,8.525490196,8.68,4.875902994,70.49659162,0.482253613,0.999352594,0.947276688,0.964444444,0.541766999,7.832954624,-0.0014,12.7598,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,6,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.838888889,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0.838888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.761111111,0,0,0,0,0,0,0,0,0,0,0,1.680555556,0,0.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.838888889,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0.838888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,1.680555556,0,0.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.838888889,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0.838888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.680555556,0,0.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.5,3.166666667,0.838888889,7.569444444,0.311111111,0.25,0.8465,1.25,1.569444444,3.138888889,1.25,1.569444444,3.138888889,1.33333,0.44444,0,0.05556,0.51852,0.95556,0.40909,0.51852,0.79167,0.10943,0,-0.10943,0.16389,0.46511,0.24918,0,0.625,0,0,1.25,0.41667,1.25,0.41667,0,0,-1.25,-0.41667,0,0,1.38742,0.46247,1.91421,0.52679,0.1756,1.05409,0.35136,1.41421,0.36012,0.12004,0,0,0,0,0,2.01,1,1,1,1,1,1,1,1.224394445,1.879964949,2.419381946,2.067168057,0.880534723,0,11.01955001,16.91968454,21.77443751,18.60451251,7.924812504,0,0.386253443,0.593062911,0.763230027,0.652118916,0.277777778,0,1.945530556,1.289960053,0.750543056,1.102756945,2.289390279,3.169925001,0.408131482,0.626654983,0.806460649,0.689056019,0.293511574,0,11.81312432,14.91653023,15.46016819,11.23360152,0.887424935,0,10.94402779,9.752038633,9.945865283,7.832581948,1.93717639,0,3,2,0,3,0,2,1.57,0.4491,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.385,0.375,0.449,0.205,1.622,1,0,0,0,0,0,0,0,0,6,1.098612289,0.693147181,0,0,0,0,0,0,0,0,1.945910149,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,1,0,1,2,1,0.5,0,0,0,0,0,0,0,0,0,0.25,0,0,0,0,0,0,0,0,0,0.25,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,20.23,51.93865465,2.584962501,1.945910149,2.197224577,2.564949357,2.833213344,3.218875825,3.496507561,3.891820298,4.17438727,4.574710979,33.89759936,1.609437912,0,2.197224577,0,2.833213344,0,3.496507561,0,4.17438727,4.852030264,46.04186481,5.115762757,4.914213562,1.638071187,2.207106781,2.207106781,0,4,0,-0.076,6,1.179,2.039621484,2.690252074,2.585857014,0,0,0,0,0,0,71.46196751,52.41409996,15.50586807,2.627396221,0,0,0,0,0,0,223.1511392,210.8454762,135.2663874,80.37811856,0,0,0,0,0,0,9.260396696,15.56323393,20.09991093,17.37298726,0,0,0,0,0,0,1.603234363,1.754174552,1.384289066,1.149705399,0,0,0,0,0,0,179.3332147,340.3084459,491.758025,478.1706075,0,0,0,0,0,0,4.107,6.269674325,6.420524916,2.585857014,0,0,0,0,0,0,0.382271138,0.444686467,0.373633365,0.264791758,0,0,0,0,0,0,298.7437975,130.7948074,15.7399288,107.7993422,-47.19627428,-19.16417319,190.9444552,177.9910817,34.90410199,0.734839106,0.321724301,0.038716503,0.265160894,-0.116091676,-0.047139335,121.4522414,53.17373165,6.398960071,43.82508304,-19.18732153,-7.791063138,0.478992453,0.904455144,13.48908246,37.42616424,337.0019819,69.54115779,0.828945194,0.171054806,159.761468,12.63967832,5.426136078,226.2275805,15.04086369,6.093243262,194.2362104,13.93686516,5.791308925,1.246666748,1.090791249,59.27156138,50.14278498,15.82885798,1.182055632,3.744525438,3.167808128,2.219699476,2.151830091,3.096569067,0.439039765,2.108840177,1.333680365,2.703243702,0.34122013,4.709543889,1.71E-07,7.15E-36,5.78E-86,8.99E-158,2.70E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.196885394,1.458312793,0.256709768,0.192020866,0.115613464,1.91E-08,8.00E-37,6.46E-87,1.01E-158,3.02E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.516120971,1.222238178,0.568159037,0.119127664,0.440305257,3.31E-08,1.39E-36,1.12E-86,1.74E-158,5.23E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.213531168,1.459969432,3.046176936,0.37723783,4.48345045,2.15E-07,8.98E-36,7.25E-86,1.13E-157,3.39E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.69376653,1.13267509,0.695984081,0.100706218,0.776250224,3.28E-08,1.37E-36,1.11E-86,1.72E-158,5.18E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.727360118,1.414950657,3.723437008,0.462486214,6.870082256,2.50E-07,1.04E-35,8.44E-86,1.31E-157,3.95E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.2191444,2.054710013,3.67844634,0.66748152,2.822856921,3.35E-07,1.40E-35,1.13E-85,1.76E-157,5.29E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.065241611,0.726116837,0.369336683,0.493008752,0.336057052,0.720983372,0.532985397,0.444427299,2.160695131,1.435104257,3.88147757,0.243598707,1.698396068,1.181393591,0.271029468,0.072730521,0.774606313,0.177706344,0.762014049,0.067458172,0.017234125,1.52515358,0.425827962,1.974269308,0.661909469,0.846706346,0.988721554,0.483275124,0.207480959,0.588707781,0.287753236,0.593756192,0.231844115,0.140253055,1.679477637,0.783235814,2.561852943,0.383061672,0.965853362,1.105275958,0.699305181,0.348849548,0.513262843,0.324740046,0.727510236,0.480281895,0.396489936,2.153430688,1.40245252,3.825517816,0.269894265,1.604282067,0.950314392,0.569455504,0.272197704,0.530318959,0.317782254,0.608255515,0.330915281,0.241393046,1.7919676,0.954839638,2.894110227,0.295478438,1.180563843,1.087144233,0.749813252,0.38394547,0.48950551,0.337616396,0.738982019,0.565250844,0.480280478,2.220902956,1.520446659,4.054324743,0.240682859,1.784513342,1.102789892,0.700746855,0.350245722,0.512024732,0.325356374,0.726813979,0.483250842,0.399669968,2.153782468,1.404457578,3.828901726,0.268037099,1.609734789 +UMLRON0003,L,Methanol,CO,887,,"Sandia, UML",[11],CH4O,PubChem,,109,0,-0.358,0.128164,8.2613,5.229172,0,0,6,2,4,0,1,0,1,0,0,0,0,0,0,0,404.296378,244.612245,63.536256,3.048192,0,0,0,0,0,764.2426564,728.9529818,454.0287415,93.25123329,0,0,0,0,0,47.766088,40.857948,55.686528,20.155392,0,0,0,0,0,5.210555619,5.214740916,4.051686983,1.333838715,0,0,0,0,0,1051.91625,797.8952482,1263.428334,554.7529561,0,0,0,0,0,44,24,23,3,0,0,0,0,0,67.38272967,48.922449,9.076608,1.016064,0,0,0,0,0,127.3737761,145.7905964,64.86124879,31.08374443,0,0,0,0,0,7.961014667,8.1715896,7.955218286,6.718464,0,0,0,0,0,0.868425937,1.042948183,0.578812426,0.444612905,0,0,0,0,0,175.319375,159.5790496,180.489762,184.917652,0,0,0,0,0,7.333333333,4.8,3.285714286,1,0,0,0,0,0,0.212264811,-0.091355781,-0.047677616,0.032900991,0,0,0,0,0,233.1814173,-61.77513911,-111.1229059,56.30733633,0,0,0,0,0,211.4578948,-96.9700467,-57.31729009,48.55838938,0,0,0,0,0,0.905117333,-0.186389778,-0.389390222,0.123221333,0,0,0,0,0,0.808707478,-0.497045051,-0.015307557,0.10799887,0,0,0,0,0,4.571362259,-2.898124217,0.164475656,0.447967432,0,0,0,0,0,20,-4,-9,3,0,0,0,0,0,0.035377469,-0.018271156,-0.006811088,0.010966997,0,0,0,0,0,38.86356956,-12.35502782,-15.87470084,18.76911211,0,0,0,0,0,35.24298247,-19.39400934,-8.188184299,16.18612979,0,0,0,0,0,0.150852889,-0.037277956,-0.055627175,0.041073778,0,0,0,0,0,0.13478458,-0.09940901,-0.002186794,0.035999623,0,0,0,0,0,0.76189371,-0.579624843,0.023496522,0.149322477,0,0,0,0,0,3.333333333,-0.8,-1.285714286,1,0,0,0,0,0,-0.516463074,-0.192526156,0.309999488,0,0,0,0,0,-0.317907695,-0.408472537,0.482948744,0,0,0,0,0,-0.550294214,-0.232335169,0.459272419,0,0,0,0,0,-0.247114628,-0.368751139,0.272277038,0,0,0,0,0,-0.737539936,-0.016224363,0.267090073,0,0,0,0,0,-0.760768643,0.030839633,0.195988594,0,0,0,0,0,-0.24,-0.385714286,0.3,0,0,0,0,0,1.312730146,1.080870425,0.290085433,0,0,0,0,0,1.294769238,1.218021973,0,0,0,0,0,0,1.875735535,0.803046046,0,0,0,0,0,0,1.117786571,1.344438164,0,0,0,0,0,0,2.34384984,0.468678686,0,0,0,0,0,0,2.401921607,0.427198852,0,0,0,0,0,0,1.1,1.357142857,0,0,0,0,0,0,1.520690633,0.885345316,1.520690633,1.520690633,0.760345316,1.374619918,0.25,0.116645086,0.058322543,-0.429723881,1.423933815,0.711966908,0.070684667,1.522019058,0.885642318,1.522019058,1.522019058,0.761009529,1.374663895,0.249265579,0.116197865,0.058098933,-0.430492162,1.42385866,0.71192933,0.07067411,2.82629418,1.213649851,2.82629418,2.82629418,1.41314709,1.518441839,-0.398994478,0.100074773,0.050037387,-0.460367528,1.421348848,0.710674424,0.070321263,1.523413905,0.885954353,1.523413905,1.523413905,0.761706953,1.374710416,0.2484948,0.11572933,0.057864665,-0.431300235,1.423780245,0.711890122,0.070663096,4.302924411,1.610315073,4.302924411,4.302924411,2.151462206,1.803703154,-1.082294264,0.179302178,0.089651089,-0.343736551,1.437509777,0.718754888,0.072582459,1.662769901,0.917952044,1.662769901,1.662769901,0.831384951,1.381024879,0.173134186,0.073727015,0.036863508,-0.521477199,1.418072904,0.709036452,0.069859768,0.942809042,0.804737854,0.942809042,0.942809042,0.471404521,1.412728607,0.666666667,0.5411961,0.27059805,-0.122794718,1.681792831,0.840896415,0.103972077,0,11.99697344,15.99794118,-0.425376469,0.058873558,2.666419116,3.111580884,1,5,5,5,1,0,0,0,0,0,4.372828,2.895253422,1.467222867,0.083923071,0.083923071,0.422129468,1.440471707,0,0,1.440471707,0.422129468,0.083923071,0.083923071,1.467222867,2.895253422,0,0,2.78828793,1.301659972,0.270913902,0.270913902,0.412515058,1.420805936,0,0,1.420805936,0.412515058,0.270913902,0.270913902,1.301659972,2.78828793,0,0,3.124589437,1.910087997,0.943918427,0.943918427,0.227544262,1.043722059,0,0,1.043722059,0.227544262,0.943918427,0.943918427,1.910087997,3.124589437,0,0,2.786516176,1.285682826,0.399277246,0.399277246,0.385003765,1.408401225,0,0,1.408401225,0.385003765,0.399277246,0.399277246,1.285682826,2.786516176,0,0,3.190334858,2.034113601,1.207644823,1.207644823,0.364834772,0.964607512,0,0,0.964607512,0.364834772,1.207644823,1.207644823,2.034113601,3.190334858,0,0,3.822102613,2.143230483,0.5,0.5,0.162376365,1.127709461,0,0,1.127709461,0.162376365,0.5,0.5,2.143230483,3.822102613,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,1,0,0,0,0,0,0,1,1,0,0,0,0,0,0,1.447213595,0.447213595,0,0,0,0,0,0,0.723606798,0.447213595,0,0,0,0,0,0,2.798454712,6.106336489,5.8,5.92,3.077348503,47.46833653,0.466409119,1.017722748,0.966666667,0.986666667,0.512891417,7.911389421,-0.3915,8.1428,1,2,2,1,1.407605964,0,0,0,1.414213562,0.707106781,0.069314718,2,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.95,0,7,0,0,0,0,0,0,0,0,0,0,0.95,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.95,0,7,0,0,0,0,0,0,0,0,0,0,0.95,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.95,0,7,0,0,0,0,0,0,0,0,0,0,0.95,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,4,0.95,7,0.45,1,0.432,1,1,2,1,1,2,0.83333,0.41667,0,0.08334,0.56111,1.08334,0.4,0.56111,0.82222,0.16111,0,-0.16111,0.26111,0.38461,0.32968,0,1,0,0,0.75,0.375,0.75,0.375,0,0,-0.75,-0.375,0,0,0.54433,0.27216,1,0.45567,0.22784,0.54433,0.27216,1,0.45567,0.22784,0,0,0,0,0,1.01,1,1,1,1,1,1,1,1.251629167,1.79248125,1.79248125,0.930827083,0,0,7.509775004,10.7548875,10.7548875,5.584962501,0,0,0.484196257,0.693426404,0.693426404,0.36009307,0,0,1.333333333,0.79248125,0.79248125,1.654135417,2.584962501,2.584962501,0.539047342,0.771979655,0.771979655,0.400885404,0,0,12.45399398,12.99907825,12.99907825,0.938110835,0,0,7.59147917,7.962406252,7.962406252,1.930827083,0,0,2,0,0,1,0,0,1.46,0.3082,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.385,0.375,0.449,0.205,1.123,0,0,0,0,0,0,0,0,0,3,0.693147181,0,0,0,0,0,0,0,0,0,1.386294361,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,2,2,1,1.407605964,0,0,0,1.414213562,0.707106781,0.069314718,20.23,34.64267003,2,1.098612289,1.098612289,1.098612289,1.098612289,1.098612289,1.098612289,1.098612289,1.098612289,1.098612289,12.8875106,1.098612289,0,1.098612289,0,1.098612289,0,1.098612289,0,1.098612289,2.564949357,32.02621475,5.337702458,3,1.5,2,2,0,1,0,-0.499,2,1.1366,1.935542304,2.458364266,0,0,0,0,0,0,0,65.00622117,18.26778853,2.497855429,0,0,0,0,0,0,0,176.9578328,127.8001557,76.41516655,0,0,0,0,0,0,0,9.351023774,15.52859921,16.51643182,0,0,0,0,0,0,0,1.219926115,1.123193053,1.093020477,0,0,0,0,0,0,0,180.1414244,349.4267527,454.5949478,0,0,0,0,0,0,0,5.8308,6.596882011,2.458364266,0,0,0,0,0,0,0,0.33344832,0.325796136,0.251736501,0,0,0,0,0,0,0,261.5449188,104.3425331,17.3715687,82.61718636,-32.95986992,-32.95986992,178.9277324,137.302403,50.33143862,0.759946882,0.303178449,0.050474961,0.240053118,-0.095768446,-0.095768446,90.01384984,35.91074584,5.978635654,28.43370478,-11.34353822,-11.34353822,0.524707104,1,17.43460902,82.61718636,228.3176023,115.8445029,0.663401342,0.336598658,97.6798989,9.883314166,4.605411069,144.7719392,12.03212114,5.250832088,97.6798989,9.883314166,4.605411069,1.24880221,1.24880221,20.56735502,19.8374098,4.100793719,1.036796398,5.01545711,4.83745615,1.526238185,1.920479602,2.658420877,0.384248431,1.55103907,0.382801071,3.803393005,0.162582422,1.71E-05,3.48E-31,1.37E-78,1.03E-147,1.51E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.150073012,0.509820955,0.318973065,0.001145082,1.21E-07,2.45E-33,9.62E-81,7.27E-150,1.06E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.365004897,0.273586727,0.672649686,0.01193263,1.26E-06,2.56E-32,1.00E-79,7.58E-149,1.10E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.687012425,0.509352231,4.292833729,0.144858012,1.53E-05,3.10E-31,1.22E-78,9.20E-148,1.34E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.471049241,0.183816763,0.811358085,0.025919267,2.73E-06,5.55E-32,2.18E-79,1.65E-148,2.40E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.053734499,0.462969311,5.418696998,0.237111183,2.50E-05,5.08E-31,1.99E-78,1.51E-147,2.20E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.489857088,1.148234846,4.08306532,0.04064561,4.28E-06,8.71E-32,3.41E-79,2.58E-148,3.76E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844851144,0.299652649,0.278723025,0.593616655,0.21054455,0.552303319,0.326717962,0.333333333,1.423226818,0.572161443,2.065950307,0.390424983,1.212354615,0.709626536,0.091001624,0.052609602,0.831686745,0.106654473,0.585009612,0.033838791,0.011875806,0.853237762,0.106697896,0.963333036,0.747530117,0.630724209,0.672880327,0.210057973,0.161896368,0.644006509,0.201044222,0.387193901,0.194546606,0.112462378,1.044834668,0.284288381,1.352006109,0.466009763,0.694202885,0.839156786,0.296322764,0.258510287,0.601981998,0.212571682,0.557139413,0.341891149,0.286740283,1.393989837,0.542194402,2.000465732,0.402972996,1.185770846,0.706874105,0.241332494,0.216981135,0.606661128,0.207118979,0.390313808,0.219024545,0.202011923,1.165187734,0.376334634,1.578537547,0.409991692,0.811350276,0.865681689,0.308496199,0.286875063,0.592505349,0.211146488,0.579902852,0.346356308,0.353117018,1.461052951,0.603901866,2.141567531,0.388758023,1.279376178,0.837859059,0.29634228,0.261302836,0.600398819,0.212354994,0.552789334,0.337855044,0.29296875,1.395504175,0.544663091,2.005046948,0.400598229,1.183613128 +UMLRON0004,L,n-Propanol,CCCO,1031,,"Sandia, UML",[6],C3H8O,PubChem,,104,0,-0.6854,0.46977316,16.0871,11.416344,0,0,12,4,8,0,3,0,1,0,0,0,0,0,0,0,696.888876,581.568839,494.833294,309.253269,68.616576,3.048192,0,0,0,1735.611438,2034.933251,2193.058551,1528.181395,609.4474637,93.25123329,0,0,0,89.720976,84.409508,141.285376,152.30358,89.278848,20.155392,0,0,0,12.56680724,15.24671816,18.5562836,14.42549669,6.274751507,1.333838715,0,0,0,2045.17557,1663.974151,3106.319975,3661.458992,2188.016594,554.7529561,0,0,0,52.5,32.25,45,46,28,3,0,0,0,58.074073,52.86989445,26.04385758,14.72634614,5.718048,1.016064,0,0,0,144.6342865,184.9939319,115.4241343,72.77054261,50.78728864,31.08374443,0,0,0,7.476748,7.673591636,7.436072421,7.252551429,7.439904,6.718464,0,0,0,1.047233937,1.386065287,0.976646505,0.686928414,0.522895959,0.444612905,0,0,0,170.4312975,151.2703774,163.490525,174.3551901,182.3347162,184.917652,0,0,0,4.375,2.931818182,2.368421053,2.19047619,2.333333333,1,0,0,0,0.217026391,-0.100885917,-0.026567368,0.025323518,-0.020907211,0.014523782,0,0,0,395.928108,-64.994009,-162.036018,12.969973,-31.904,48,0,0,0,514.4985023,-83.59670822,-254.7602477,-32.94320824,52.96816353,61.08274955,0,0,0,1.005444,-0.116045,-0.165161,-0.039271,-0.230632,0.048387,0,0,0,2.213391858,-0.321809643,-1.07713566,-0.368742892,0.454951784,0.206040482,0,0,0,12.32382793,-1.706534756,-5.806729951,-2.416646497,2.748673595,1.019323642,0,0,0,22.41666667,-3.506944444,-3.951388889,0.479166667,-5.25,1.020833333,0,0,0,0.018085533,-0.009171447,-0.001398283,0.001205882,-0.001742268,0.004841261,0,0,0,32.994009,-5.908546273,-8.528211474,0.617617762,-2.658666667,16,0,0,0,42.87487519,-7.599700747,-13.40843409,-1.568724202,4.414013627,20.36091652,0,0,0,0.083787,-0.010549545,-0.008692684,-0.001870048,-0.019219333,0.016129,0,0,0,0.184449322,-0.029255422,-0.056691351,-0.017559185,0.037912649,0.068680161,0,0,0,1.026985661,-0.155139523,-0.305617366,-0.115078405,0.229056133,0.339774547,0,0,0,1.868055556,-0.318813131,-0.207967836,0.02281746,-0.4375,0.340277778,0,0,0,-0.507115117,-0.077314976,0.0666766,-0.096334879,0.26768692,0,0,0,-0.179079368,-0.258477576,0.018719088,-0.080580286,0.484936523,0,0,0,-0.177253012,-0.312734067,-0.036588426,0.102951055,0.474891564,0,0,0,-0.125909096,-0.10374741,-0.022319066,-0.229383238,0.19250003,0,0,0,-0.15860954,-0.307354617,-0.095197885,0.20554507,0.372352472,0,0,0,-0.151062989,-0.29758679,-0.112054539,0.223037323,0.330846437,0,0,0,-0.170665765,-0.111328507,0.012214551,-0.234200743,0.182156134,0,0,0,1.373588803,0.828733536,0.7355153,1.420866705,0.88278808,0,0,0,1.374108413,1.225386496,0.788344417,0.920602608,0,0,0,0,1.646057103,1.379922723,0.790098298,0.423564655,0,0,0,0,1.053425153,0.955075097,0.839404757,1.553199714,0,0,0,0,1.765768429,1.419546911,0.808001949,0.219759587,0,0,0,0,1.778171464,1.414712711,0.815249035,0.203361888,0,0,0,0,1.104089219,0.962042653,0.806160382,1.553903346,0,0,0,0,9.436347219,4.843173609,7.973149273,9.561347219,2.390336805,4.859074871,0.25,0.047305819,0.011826455,-1.220448784,8.113795335,2.028448834,0.837426296,9.438954437,4.844110008,7.974815567,9.563587226,2.390896807,4.859992727,0.249265579,0.047164977,0.011791244,-1.221641472,8.113993232,2.028498308,0.837436052,11.74463569,5.672820608,9.680698805,11.54513845,2.886284614,5.678948819,-0.398994478,0.064669834,0.016167459,-1.095384171,10.67732694,2.669331735,0.947249006,9.441690741,4.84509277,7.976565015,9.565938141,2.391484535,4.860956056,0.2484948,0.047017157,0.011754289,-1.22289708,8.114205505,2.028551376,0.837446517,14.18213106,6.549918397,11.84239416,13.64098393,3.410245982,6.552360016,-1.082294264,0.131663139,0.032915785,-0.811003438,15.67652603,3.919131508,1.100865775,9.709291821,4.941213004,8.150918699,9.795858914,2.448964729,4.955306329,0.173134186,0.032566995,0.008141749,-1.369782376,8.158234171,2.039558543,0.839611098,8.628179484,4.647423075,7.730225728,8.961512817,2.240378204,4.670393392,0.666666667,0.099774923,0.024943731,-0.921935361,7.014155172,1.753538793,0.77917211,0,11.99654878,15.99794171,-0.421734983,0.06940086,3.629588158,5.362254858,3,11,11,11,3,0,0,0,0,0,8.745656,3.295074073,2.558186649,1.693064967,1.165187119,0.083923071,0.083923071,0.083923071,0.083923071,1.756765994,1.210417063,0.689354378,0.387254117,0.083923071,0.083923071,0.083923071,0.083923071,3.286704795,2.493944958,1.641898074,1.165693778,0.270913902,0.270913902,0.270913902,0.270913902,1.706059039,1.163697924,0.600720609,0.319309321,0.270913902,0.270913902,0.270913902,0.270913902,3.471885261,2.824623271,2.110612408,1.729746219,0.943918427,0.943918427,0.943918427,0.943918427,1.467474198,0.778325847,0.083361015,0.29863039,0.943918427,0.943918427,0.943918427,0.943918427,3.302741229,2.506561968,1.67399618,1.193770616,0.399277246,0.399277246,0.399277246,0.399277246,1.675343617,1.134276972,0.54425677,0.245844131,0.399277246,0.399277246,0.399277246,0.399277246,3.534410558,2.909521409,2.246249391,1.905730969,1.207644823,1.207644823,1.207644823,1.207644823,1.403651274,0.684348486,0.064396503,0.467656294,1.207644823,1.207644823,1.207644823,1.207644823,4.283919275,3.202029034,2.259907779,1.58277142,0.6,0.6,0.6,0.6,1.545007308,0.830686129,0.263261865,0.310327795,0.6,0.6,0.6,0.6,0,0,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,2.861427158,1.523334547,0.723606798,0.223606798,0,0,0,0,0.715356789,0.507778182,0.361803399,0.223606798,0,0,0,0,5.88211032,11.8820102,11.25098039,11.44,6.674457485,93.52484671,0.49017586,0.990167516,0.937581699,0.953333333,0.55620479,7.793737226,0.3887,17.3768,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.776388889,0,7.875,0,0,0,0,0,0,0,0,0,0,0.776388889,0,0,0,0,0,0,0,0,0,0,0,0,0,1.023611111,0,0,0,0,0,0,0,0,0,0,0,1.930555556,0,1.194444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.776388889,0,7.875,0,0,0,0,0,0,0,0,0,0,0.776388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.930555556,0,0.319444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.776388889,0,7.875,0,0,0,0,0,0,0,0,0,0,0.776388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.930555556,0,0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,2.75,0.776388889,7.875,0.2625,0.319444444,1.409722222,1.180555556,1.875,3.75,1.180555556,1.875,3.75,1.83333,0.45833,0,0.04167,0.49722,0.89167,0.41429,0.49722,0.77333,0.08294,0,-0.08294,0.11833,0.51402,0.20027,0,0.45454,0,0,1.75,0.4375,1.75,0.4375,0,0,-1.75,-0.4375,0,0,2.35011,0.58753,2.95465,0.60455,0.15114,1.57596,0.39399,1.91421,0.33826,0.08456,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3.01,1,1,1,1,1,1,1,1.188721876,1.947338796,2.855388542,2.855388542,2.257894792,0.798746875,14.26466251,23.36806555,34.26466251,34.26466251,27.09473751,9.584962501,0.331585582,0.54319642,0.796490491,0.796490491,0.629823824,0.222804806,2.396240625,1.637623705,0.729573959,0.729573959,1.327067709,2.786215626,0.343617682,0.562907151,0.825392393,0.825392393,0.652677966,0.230889627,11.17145733,16.29155673,17.20671199,17.20671199,10.03678699,0.804997095,14.509775,11.24139657,11.28947396,11.28947396,7.70451146,1.798746875,4,3,4,4,0,3,1.68,0.59,0,1.414213562,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.385,0.375,0.449,0.205,2.121,2,1,0,0,0,0,0,0,0,10,1.386294361,1.098612289,0.693147181,0,0,0,0,0,0,0,2.397895273,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.333333333,3,1,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,20.23,69.23463928,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,60.05751488,5.004792906,6.871320344,1.717830086,2.310660172,2.310660172,0,10,1,0.282,10,1.198272727,2.077931494,2.770800689,3.292850868,4.213152135,0,0,0,0,0,74.39639766,60.36207915,49.05203673,22.50305571,4.280832211,0,0,0,0,0,244.1480966,254.9751241,212.8978008,181.3061656,130.9605442,0,0,0,0,0,9.21920257,15.52277764,20.20184536,25.10873145,28.30591095,0,0,0,0,0,1.777465386,2.115417001,1.941439794,1.765717314,1.87322181,0,0,0,0,0,178.9658466,336.9288268,481.7114633,599.2994685,779.0862005,0,0,0,0,0,3.601977273,5.087890486,6.483367856,8.801775674,4.213152135,0,0,0,0,0,0.404463327,0.497086781,0.484693426,0.486419157,0.431426779,0,0,0,0,0,284.445133,139.8236403,12.9365236,171.8633705,-84.48224034,-22.10573609,112.5817625,224.3058806,35.04225969,0.623361456,0.306423482,0.028350389,0.376638544,-0.185142814,-0.048444717,129.794733,63.80271605,5.903045726,78.42271739,-38.54996466,-10.08703535,0.42664308,0.805009682,8.711475957,32.07314073,396.0479213,60.2605822,0.867938945,0.132061055,221.8430372,14.89439617,6.053621557,307.6832218,17.5409014,6.75099736,293.6101966,17.13505753,6.646459733,1.677287708,1.515443914,136.0812843,125.5418916,20.56870743,1.083951202,6.615937574,6.103538203,2.717285248,2.359935319,4.338526665,0.838409142,2.666641284,2.279835686,3.00452129,5.39886256,1.948515719,0.040413221,0.457740448,0.159716805,1.99E-19,5.17E-59,2.60E-120,2.51E-203,4.69E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.243697775,2.406771359,0.278855958,1.290270579,0.015619095,0.023349419,0.00525256,0.016570296,2.22E-20,5.78E-60,2.90E-121,2.81E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.667237046,2.170542916,0.641725243,1.551658909,0.147879911,0.015062923,0.035880019,0.02945474,3.85E-20,1.00E-59,5.03E-121,4.87E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.740049911,2.406377657,3.32838215,5.190543721,1.737397863,0.043864114,0.41418606,0.196134843,2.50E-19,6.50E-59,3.26E-120,3.16E-203,5.89E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.91648382,2.08078031,0.806503065,1.861412137,0.316550466,0.013300876,0.073738521,0.030229186,3.81E-20,9.92E-60,4.98E-121,4.82E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.400985737,2.360042533,4.09749016,7.271374028,2.835544617,0.053247833,0.66739869,0.233242025,2.91E-19,7.56E-59,3.79E-120,3.67E-203,6.85E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.747819299,3.032747502,4.224055298,4.060335625,0.707520573,0.084291752,0.196399551,0.322921198,4.30E-19,1.12E-58,5.61E-120,5.43E-203,1.01E-307,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.000479428,0.72965547,0.414643513,0.636127309,0.232021267,0.549427903,0.576621567,0.499982783,3.14477841,2.59169348,6.341710753,0.454190964,1.626032252,2.194508398,0.25899201,0.083458598,0.865015317,0.102087582,0.671409015,0.071261427,0.02025571,2.536959006,0.773125846,3.357519393,0.797522975,0.762926153,1.862886801,0.479390351,0.229168144,0.724451267,0.186428368,0.48328045,0.244547241,0.152726287,2.571445295,1.429825263,4.20592916,0.5866769,0.880553978,2.080510248,0.698576205,0.395276199,0.655410385,0.220068178,0.59454836,0.528303585,0.45436684,3.174362651,2.551901682,6.300756766,0.483115578,1.577218785,1.777471658,0.579413715,0.297656048,0.669596505,0.218272622,0.43876844,0.358627235,0.257652714,2.65454142,1.731432641,4.692527482,0.504394758,1.055048388,2.044064561,0.752754688,0.433213348,0.632830939,0.233048635,0.572813825,0.614506241,0.545769121,3.230032597,2.750298612,6.646907568,0.449246408,1.733089187,2.082595003,0.699550154,0.396388767,0.655206159,0.220085791,0.595614904,0.529887156,0.456928216,3.178533923,2.559690741,6.315715394,0.482809238,1.582430276 +UMLRON0005,L,Toluene,CC1=CC=CC=C1,1140,Averaged sensitivity values,"Sandia, UML","[1], [3]",C7H8,PubChem,,118.17,0,1.8498,3.42176004,35.2378,17.654344,6,6,15,7,8,0,7,0,0,0,0,0,0,0,0,0,1017.977359,1106.705551,1314.553304,943.312445,311.816905,56.556864,3.048192,0,0,3213.288268,3882.511243,4972.96246,4307.178581,2225.930359,707.6164209,93.25123329,0,0,106.531324,109.724668,173.008736,192.693812,167.254372,82.21824,20.155392,0,0,23.07920324,28.43065448,38.12111474,35.7667492,21.71110508,8.011080479,1.333838715,0,0,2366.901709,2112.540874,3559.700925,4129.848247,3966.563997,2091.831407,554.7529561,0,0,34.77777778,42,58,58.66666667,39.66666667,16,3,0,0,67.86515727,73.78037007,54.77305433,34.93749796,12.99237104,4.713072,1.016064,0,0,214.2192178,258.8340829,207.2067692,159.5251326,92.74709829,58.96803508,31.08374443,0,0,7.102088267,7.314977867,7.208697333,7.136807852,6.968932167,6.85152,6.718464,0,0,1.538613549,1.895376965,1.588379781,1.324694415,0.904629378,0.66759004,0.444612905,0,0,157.7934473,140.8360583,148.3208719,152.9573425,165.2734999,174.3192839,184.917652,0,0,2.318518519,2.8,2.416666667,2.172839506,1.652777778,1.333333333,1,0,0,0.043872186,7.57E-04,-0.012880025,-0.02024884,-0.005060112,0.01035384,0.005141992,0,0,451.9797669,3.06E-13,-37.12690943,-264.7310063,-93.62438029,90.39595339,79.09645921,0,0,840.4756768,5.68E-14,-69.03907345,-492.2786107,-174.0985331,168.0951354,147.0832434,0,0,0.088539733,9.45E-16,-0.007272907,-0.051858987,-0.018340373,0.017707947,0.015494453,0,0,3.75731733,1.11E-16,-0.308636781,-2.200714436,-0.778301447,0.751463466,0.657530533,0,0,20.40980737,4.71E-14,-1.676519891,-11.95431575,-4.227745812,4.081961474,3.57171629,0,0,3.481481481,-0.37037037,0.222222222,-2,-0.777777778,0.592592593,0.592592593,0,0,0.002924812,5.05E-05,-5.37E-04,-7.50E-04,-2.11E-04,8.63E-04,0.001713997,0,0,30.13198446,2.04E-14,-1.546954559,-9.804852087,-3.901015846,7.532996116,26.3654864,0,0,56.03171179,3.79E-15,-2.876628061,-18.23254114,-7.254105544,14.00792795,49.02774782,0,0,0.005902649,6.30E-17,-3.03E-04,-0.001920703,-7.64E-04,0.001475662,0.005164818,0,0,0.250487822,7.40E-18,-0.012859866,-0.081507942,-0.032429227,0.062621956,0.219176844,0,0,1.360653825,3.14E-15,-0.069854995,-0.442752435,-0.176156076,0.340163456,1.190572097,0,0,0.232098765,-0.024691358,0.009259259,-0.074074074,-0.032407407,0.049382716,0.197530864,0,0,0.017255851,-0.183487905,-0.256412017,-0.072085992,0.295000125,0.586019573,0,0,6.76E-16,-0.051339286,-0.325396825,-0.129464286,0.25,0.875,0,0,6.76E-17,-0.051339286,-0.325396825,-0.129464286,0.25,0.875,0,0,1.07E-14,-0.051339286,-0.325396825,-0.129464286,0.25,0.875,0,0,2.95E-17,-0.051339286,-0.325396825,-0.129464286,0.25,0.875,0,0,2.31E-15,-0.051339286,-0.325396825,-0.129464286,0.25,0.875,0,0,-0.106382979,0.039893617,-0.319148936,-0.13962766,0.212765957,0.85106383,0,0,0.944384683,1.097895847,1.248592783,0.984799144,0.548670436,0.184499874,0,0,1,1.015625,1.25,1.015625,0.625,0,0,0,1,1.015625,1.25,1.015625,0.625,0,0,0,1,1.015625,1.25,1.015625,0.625,0,0,0,1,1.015625,1.25,1.015625,0.625,0,0,0,1,1.015625,1.25,1.015625,0.625,0,0,0,1.117021277,0.875,1.265957447,1.042553191,0.670212766,0,0,0,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,19.08329983,9.350309923,13.70634192,19.07921819,2.725602599,9.350652787,-0.028571429,0.188653171,0.026950453,-1.167491516,74.42522834,10.63217548,3.016856482,0,11.85,12.15006846,-0.210179625,0.089903792,5.768181322,7.500882457,7,15,12,9,1,3,0,0,0,6,8.745656,3.765416021,2.875673982,2.619181914,2.07300089,0.941428501,0.758222679,0.307866889,0.083923071,1.968342676,1.412036142,1.082250302,0.83114831,0.310513972,0.232961051,0.083923071,0.083923071,3.777737878,2.906585378,2.645815032,2.132252827,1.053336623,0.88274137,0.445525863,0.270913902,1.93529437,1.327827619,1.007167592,0.732846177,0.150156259,0.065219542,0.270913902,0.270913902,3.833794233,3.054562707,2.771820215,2.377281051,1.517793787,1.392274143,0.956863265,0.943918427,1.845410498,1.08613326,0.798620231,0.42315009,0.396843083,0.515592156,0.943918427,0.943918427,3.786906761,2.930047673,2.665925019,2.175105381,1.134811365,0.973074417,0.541478295,0.399277246,1.914955466,1.274383397,0.960278991,0.668747584,0.041902902,0.048582902,0.399277246,0.399277246,3.862417112,3.132507981,2.838078588,2.48756005,1.721464227,1.611361544,1.207644823,1.207644823,1.819269484,1.015368102,0.738564276,0.317644508,0.594311107,0.729436768,1.15957793,1.207644823,3.790012053,2.946255921,2.705142425,2.218788872,1.217490681,1.055013792,0.592427746,0.512195122,1.905765741,1.228574674,0.905650187,0.616845831,0.056187812,0.148687862,0.512195122,0.512195122,0,0,0,5,1,1,0,0,0,0,0,0,0.102062073,0.102062073,0,0,0,0.032075015,0.032075015,0.288675135,0,0,0,0.166666667,0,0,0,0.40824829,0.433012702,0.40824829,0.19245009,0.166666667,0.12830006,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,4.386751346,2.410683603,1.654700538,0.940455735,0.534377897,0.303561201,0.06415003,0,0.626678764,0.344383372,0.206837567,0.117556967,0.066797237,0.03794515,0.032075015,0,9.167311215,14.55134741,13.90196078,14.04,10.19421796,112.3411042,0.611154081,0.970089828,0.926797386,0.936,0.679614531,7.489406946,1.71462,30.082,25.81164286,34.91599912,51.62328572,7.374755103,25.81164286,0.063309915,0.009044274,-1.931799329,26.80913824,3.829876892,2.302119966,45,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,5,0,0,0,0,0,0,0,0,1,0,0,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.58333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.153194444,0,0,0,0,2.153194444,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,10.26157407,0,0,0,0,1.321759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.321759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,0,0,0,0.422222222,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,2.020833333,0,0,0,0,1.321759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.44,0,0,0,0,0.44,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,2.083333333,0,0,0,0,1.321759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.952380952,0.44,2.083333333,0.1875,1.321759259,4.2325625,0.344907407,0.083333333,0.689814815,0.344907407,0.083333333,0.689814815,3.5,0.5,0,0,0.48667,0.7,0.43333,0.43333,0.7,0.05333,0.05333,0,0,0.71429,0,0,0.14286,0.14286,0,9.5,1.35714,3.5,0.5,6,0.85714,2.5,0.35714,0,0,2.78594,0.39799,6.62679,3.84085,0.54869,1.35326,0.19332,3.39384,2.04058,0.29151,0.02016,0.00288,0.10616,0.01517,0.4,7,0,0,0,0,0,0,0.142857143,0.996791632,2.041946032,2.36559623,2.872905595,3.006238929,2.872905595,14.95187448,30.62919048,35.48394346,43.09358393,45.09358393,43.09358393,0.255136817,0.522652473,0.605493339,0.735343242,0.769470978,0.735343242,2.910098964,1.864944563,1.541294365,1.033985,0.900651667,1.033985,0.23904306,0.489684115,0.567299467,0.688958577,0.720933573,0.688958577,6.644859528,13.59134937,17.47515175,20.00524452,18.12080749,17.98643082,25.42029908,23.00989851,20.1702396,17.55180316,19.08518437,19.33943645,5.142857143,2.34375,1.5,0,6,0,2.23,0.8573,0,1.850535862,1,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,3.42,8,8,8,8,2,0,0,0,0,48,2.397895273,2.862200881,3.248434627,3.640870235,4.037553728,2.784239339,0,0,0,0,5.119489699,3.463541667,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,0,3,4,0.333333333,1,0.444444444,0.1875,0.111111111,0,0,0,0,0,0,0.142857143,0.055555556,0.0375,0.111111111,0,0,0,0,0,0,0.34702381,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,0,98.46251628,3.807354922,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,71.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.388905171,92.06260026,6.137506684,13.67682532,1.953832189,0,0,0,42,5,2.474,30,1.228620249,2.169154658,3.027831434,3.853973214,4.915824513,5.732538454,0,0,0,0,99.32603367,128.0621471,108.3484474,53.40161996,22.78420042,5.824625951,0,0,0,0,338.2845852,473.5341237,493.9717822,373.1626646,286.9769563,178.1887602,0,0,0,0,9.015098242,15.68185143,21.64853859,26.91873561,33.6670341,38.51385323,0,0,0,0,2.438709299,3.585189849,4.088898066,3.601267001,3.258569141,2.548760574,0,0,0,0,171.3052152,318.6294216,460.0733268,632.2284801,858.0250833,1060.047551,0,0,0,0,3.548368201,5.411829214,6.690545286,6.535514595,6.51977092,5.732538454,0,0,0,0,0.50095289,0.743748609,0.861549758,0.779102857,0.724083456,0.587011938,0,0,0,0,208.2127183,81.74242267,10.12659926,86.98696994,-34.15029457,-4.981305312,121.2257484,115.8927172,15.10790457,0.705328381,0.276905518,0.034304234,0.294671619,-0.115685402,-0.016874358,61.46432953,24.13033769,2.989368944,25.67852641,-10.08115631,-1.470479775,0.157976185,0.157267841,4.078381183,2.126720455,295.1996882,0,1,0,540.6395164,23.25165621,8.146466238,619.1973665,24.88367671,8.523337786,835.3178834,28.90186643,9.417824499,1.625780523,1.625780523,271.5903268,186.8193823,88.14246263,1.453758831,3.081265472,2.119516255,3.353501576,3.785389562,5.736871498,0.515530014,2.639615722,1.872839511,3.296951735,6.216241405,0.015703019,3.157315437,2.29777692,2.688998165,0.825492883,0.375694394,0.002381322,8.99E-26,7.25E-70,1.22E-135,4.17E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.221634264,1.872778166,0.264726363,2.197550668,0.001775231,0.201910116,0.225303301,0.183764026,0.005841898,0.00332421,1.68E-05,6.33E-28,5.10E-72,8.58E-138,2.93E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.715195829,1.87278246,0.86181118,2.581673168,0.004617971,0.527812427,0.645135184,0.620760562,0.060658147,0.029316176,1.75E-04,6.60E-27,5.32E-71,8.94E-137,3.06E-224,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.49158863,1.872832845,3.103588779,5.815914726,0.014850293,2.878267242,2.169768042,2.509318058,0.735518496,0.335203897,0.002121715,8.01E-26,6.46E-70,1.09E-135,3.71E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.054010371,1.872787851,1.278180992,2.974871487,0.006569488,0.833887752,0.934287994,0.942828509,0.131688984,0.062009847,3.80E-04,1.43E-26,1.16E-70,1.94E-136,6.64E-224,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.187693417,1.872867498,4.021667165,7.873673,0.018860369,4.301913645,2.773023213,3.384147424,1.203812838,0.545702985,0.003472934,1.31E-25,1.06E-69,1.78E-135,6.08E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.385029616,1.731608989,1.598808389,3.496679939,0.008476251,1.164904998,1.218200876,1.267785269,0.216658126,0.100875263,6.25E-04,2.36E-26,1.90E-70,3.19E-136,1.09E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.276735353,1.690829113,0.111499579,0.645145508,0.332901711,0.564606018,0.467262948,0.133353426,5.079064045,6.094280878,11.79109714,0.467718262,1.165222392,2.057805299,0.939027824,0.01829864,0.682492661,0.311438404,0.222676311,0.144105854,0.003591677,3.015131763,1.987174403,5.037665294,0.523738991,0.370373842,2.464919506,1.190124521,0.049427124,0.665390391,0.321267051,0.319499195,0.231486165,0.026205323,3.704471151,3.114219461,6.963688102,0.498085586,0.577190682,3.237395043,1.666565162,0.108491571,0.645870561,0.332485027,0.551130214,0.453947533,0.126255341,5.012451776,5.92736814,11.52516772,0.468805842,1.131333088,2.675228073,1.319836862,0.065507585,0.658830266,0.325037136,0.37634438,0.284699912,0.046030073,4.060572519,3.792571679,8.084442611,0.488245399,0.707074364,3.403949887,1.769291301,0.121226558,0.642925795,0.334177369,0.609296818,0.511638516,0.157635178,5.294467747,6.649713149,12.67427741,0.465654746,1.278570512,3.235853692,1.665539947,0.108220252,0.645928761,0.332468726,0.550605604,0.453388455,0.125624649,5.009613891,5.919873642,11.51273448,0.468893141,1.129618707 +UMLRON0006,L,"1,3,3-Trimethyl-2-oxabicyclo[2,2,2]octane",CC1(C2CCC(O1)(CC2)C)C,2758,Sandia values from co-optima database which were from NREL measurements,Sandia,,C10H18O,PubChem,,99.2,0,1.3109,1.71845881,44.0326,30.404274,0,0,29,11,18,0,10,0,1,0,0,0,0,0,0,0,1716.898363,2044.896772,3524.888924,3198.922376,1743.551887,480.561984,45.72288,0,0,5011.067194,6905.887116,11362.32757,13333.77574,10471.24292,5498.202944,1398.768499,0,0,209.689228,223.590304,452.404256,666.263984,722.805244,551.847168,302.33088,0,0,36.53523629,50.61147758,84.03984844,105.7684249,96.90557935,59.65056297,20.00758072,0,0,4781.912583,4330.836077,9386.541768,13937.03653,16802.45851,13648.78841,8321.294341,0,0,56.15277778,61.5,119.8958333,178.25,156.1666667,108,45,0,0,59.20339183,68.16322573,57.78506433,36.35139064,17.09364595,6.0070248,1.016064,0,0,172.7954205,230.1962372,186.2676651,151.5201789,102.6592443,68.7275368,31.08374443,0,0,7.230663034,7.453010133,7.416463213,7.571181636,7.086325922,6.8980896,6.718464,0,0,1.259835734,1.687049253,1.377702433,1.20191392,0.9500547,0.745632037,0.444612905,0,0,164.8935373,144.3612026,153.8777339,158.3754152,164.7299854,170.6098551,184.917652,0,0,1.936302682,2.05,1.965505464,2.025568182,1.531045752,1.35,1,0,0,0.167264344,-0.073527632,0.083666717,-0.111467043,-0.017716438,0.002541959,0.032870266,0,0,896.4160179,71.46936194,489.5899147,-978.7484897,-646.0343433,-220.8236558,836.3392031,0,0,1461.016271,34.6937145,405.0116723,-984.1870181,-987.1645617,-554.6112726,1355.74933,0,0,1.131541793,0.062493869,0.375979401,-1.20716682,-0.305949341,0.146603054,0.362268942,0,0,6.517919588,-0.140565125,0.310678789,-2.311225902,-3.820596509,-2.828533415,5.531282368,0,0,35.84969153,-1.264651137,-0.837810387,-9.344443952,-19.7896399,-15.89146903,29.20316864,0,0,8.091475096,-2.497886114,7.28914817,-9.548652398,-1.564077157,-1.440084555,3.715814507,0,0,0.005767736,-0.002450921,0.001371586,-0.001266671,-1.74E-04,3.18E-05,7.30E-04,0,0,30.91089717,2.382312065,8.026064175,-11.12214193,-6.333670032,-2.760295697,18.58531563,0,0,50.3798714,1.15645715,6.639535612,-11.18394339,-9.678083938,-6.932640907,30.12776289,0,0,0.039018683,0.002083129,0.006163597,-0.013717805,-0.002999503,0.001832538,0.008050421,0,0,0.224755848,-0.004685504,0.005093095,-0.026263931,-0.037456829,-0.035356668,0.122917386,0,0,1.23619626,-0.042155038,-0.013734597,-0.106186863,-0.194016077,-0.198643363,0.648959303,0,0,0.279016383,-0.08326287,0.119494232,-0.108507414,-0.01533409,-0.018001057,0.082573656,0,0,-0.424936417,0.237803103,-0.219613199,-0.030114167,0.005509005,0.126644207,0,0,0.077070298,0.259651609,-0.359812977,-0.20490088,-0.089298466,0.601254487,0,0,0.022954746,0.131789451,-0.221992297,-0.192102196,-0.137607356,0.598011905,0,0,0.053387988,0.15796527,-0.351570168,-0.076873517,0.04696566,0.206322213,0,0,-0.020847085,0.022660567,-0.116855383,-0.166655635,-0.157311447,0.546892938,0,0,-0.034100603,-0.011110369,-0.085898062,-0.156946016,-0.16068918,0.524964623,0,0,-0.298415705,0.428269592,-0.388892626,-0.054957668,-0.064516129,0.295945546,0,0,1.406884894,1.125649192,2.461755723,0.672089471,0.123779043,8.64E-04,0,0,1.151026223,0.892329825,1.552380399,1.101564639,0.850850321,0,0,0,1.31635931,1.022683988,1.262370673,1.131134506,0.970764483,0,0,0,0.856101064,1.138033029,2.605209683,0.696815277,0.132041787,0,0,0,1.404920635,1.151443377,1.173018206,1.103594967,0.972775578,0,0,0,1.425687376,1.193500687,1.165351317,1.088404357,0.960720957,0,0,0,1.332907172,0.707923093,2.289204714,0.777230762,0.526274046,0,0,0,46.02260821,22.54667998,30.2749052,46.09079002,4.19007182,22.54667998,0.25,0.023747278,0.002158843,-4.114316082,68.05060712,6.186418829,4.642276816,46.02915674,22.55008913,30.28096493,46.09713826,4.190648933,22.55008913,0.249265579,0.023795501,0.002163227,-4.112084621,68.07571944,6.188701767,4.642682668,54.02873286,25.72667029,36.39961263,53.84737173,4.895215612,25.72667029,-0.398994478,0.01131903,0.001029003,-4.929396927,383.211901,34.83744554,6.543446913,46.03603419,22.55366757,30.28732802,46.1038055,4.191255045,22.55366757,0.2484948,0.023845788,0.002167799,-4.109762461,68.10227319,6.191115745,4.643111652,64.95050291,29.36249539,43.63649678,64.45855097,5.85986827,29.36249539,-1.082294264,0.024779916,0.00225272,-4.067493979,149.0597685,13.55088805,5.504782092,46.73154968,22.9060629,30.92509281,46.78632073,4.253301884,22.9060629,0.173134186,0.027315937,0.002483267,-3.960313455,71.59289406,6.508444915,4.698095406,53.40921998,25.75410254,34.89810799,53.50782176,4.864347433,25.75410254,0.229563492,0.093716631,0.008519694,-2.604227572,209.2970429,19.0270039,5.878129951,0,11.9,15.99491714,-0.368355868,0.069415429,6.6308125,9.395160228,12,30,30,30,12,0,0,0,0,0,21.593726,3.822380682,3.179340431,2.884349746,2.750129472,2.333552793,2.164759997,1.896210057,1.456797487,2.046489885,1.641435063,1.428259117,1.372874417,1.249629723,1.004515947,0.666206401,0.495223245,3.79643358,3.206601582,2.879776005,2.792995694,2.405454588,2.221203886,1.736203775,1.556142907,2.030082219,1.570985808,1.350913032,1.285229005,1.134540686,0.89928396,0.522081792,0.447163139,3.907395045,3.338902552,3.073060885,2.981537655,2.704236987,2.501804746,2.143565666,1.9628467,1.885603619,1.364728906,1.082012932,1.018928274,0.76031856,0.546907314,0.037619229,0.007417982,3.797746308,3.227567069,2.897990123,2.824624264,2.457539916,2.267352413,1.715824434,1.62787375,2.019647776,1.526450946,1.303459499,1.228596505,1.058262671,0.83084779,0.449646964,0.425347018,3.935199322,3.40544036,3.148525687,3.072480534,2.838982085,2.623951434,2.199479475,2.141548494,1.856172619,1.303661179,1.007363966,0.933903671,0.631337262,0.428734629,0.071158965,0.135164289,3.921433978,3.314611061,3.070519248,2.849225422,2.70797144,2.541832909,2.305887929,1.744477468,1.972209106,1.425714357,1.1655301,1.142131709,0.813234598,0.688124771,0.270278054,0.126453005,0,0,0,0,0,3,4,3,0,0,0,0,0.174230856,0.609807997,0,0,0,0.131094349,0.397825987,2.121591078,0.380900841,0.348461713,0.102062073,1.513576315,0.219913203,0.262188697,0.058925565,3.256855881,5.35204404,6.709033879,2.410603378,3.597301421,4.376298497,8.112884175,5.019385278,5.750291757,4.180269215,3.517264412,2.528874655,1.712415274,0.441768244,0.737534925,0.418282106,0.287514588,0.174177884,0.113460142,0.066549333,0.050365155,0.031554875,7.814025684,4.720526787,4.929691518,3.535888693,2.744104673,1.955481389,1.288451253,0.316059248,0.710365971,0.393377232,0.246484576,0.147328696,0.088519506,0.051460037,0.037895625,0.022575661,15.59124934,28.32119446,26.87843137,27.24,17.66722994,222.1515114,0.537629288,0.976592913,0.926842461,0.939310345,0.609214826,7.660396944,2.7441,45.527,54.94304499,71.59820998,109.88609,9.989644543,54.94304499,0.066494758,0.006044978,-2.981695376,103.9707594,9.451887214,5.108520669,82,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,4,0,0,0,1,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.060185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.391666667,0,0,0,0,0,0,0,0,0,0,0,6.756550926,0,5.314675926,0,0,0,0.823449074,0,0,0,0,0,0.378472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.060185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.060185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,2.244282407,0,1.278865741,0,0,0,0.823449074,0,0,0,0,0,0.157986111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.060185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.060185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,2.267986111,0,1.378472222,0,0,0,0.823449074,0,0,0,0,0,0.220486111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.060185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.33333333,1.757575758,0.311111111,6.060185185,-0.291666667,0.157986111,5.923195347,1.092013889,2.560185185,6.633472222,1.092013889,2.560185185,6.633472222,5.33333,0.48485,0,0.01515,0.47816,0.7697,0.44194,0.47816,0.7697,0.03623,0,-0.03623,0,0.62992,0.08437,0,0.28125,0.09375,0.1875,6.5,0.59091,6.5,0.59091,0,0,-6.5,-0.59091,0,0,13.36651,1.21514,14.57322,1.20671,0.1097,4.61397,0.41945,5.01938,0.40541,0.03686,0.39462,0.03587,0.39462,0.03587,0.275862069,34.01,1,1,1,1,0,0,1,1.124259237,1.76096246,2.67576677,2.951628839,3.020594357,3.115590477,32.60351788,51.06791133,77.59723634,85.59723634,87.59723634,90.35212385,0.231425203,0.362488544,0.550798114,0.607583447,0.62177978,0.641334431,3.733721758,3.097018535,2.182214225,1.906352156,1.837386638,1.742390518,0.229118464,0.358875427,0.545308015,0.601527338,0.615582169,0.634941908,9.465905526,17.10634419,19.54446894,19.82248964,20.65007585,21.7900293,40.8077838,28.7807791,27.00105739,26.05431975,24.87170692,22.97503213,7.638888889,2.025,1.111111111,0,0,0,2.45,1.3591,0.944940787,3.888322594,1.190550789,3.464101615,3.301927249,2.828427125,4.298279727,0,1.154700538,0.5,0,0,0,0,0,0,0,0,0,0.003,0.388,0.404,0.415,0.413,4.784,20,24,31,38,34,14,4,0,0,188,2.564949357,3.044522438,3.218875825,3.465735903,3.663561646,3.555348061,2.708050201,1.609437912,0,0,5.241747015,1,0.25,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,3,0,0,0,0,0,0,0,3,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,3,0.25,0,3,4,0.333333333,5,2.222222222,1.25,0.666666667,0,0,0,0,0,0,0.416666667,0.111111111,0.078125,0.095238095,0,0,0,0,0,0,0.701140873,23.73374842,32.48572989,48.49673892,4.408794447,23.73374842,0.027554123,0.00250492,-3.950763421,85.38029676,7.76184516,4.891826893,9.23,165.5936143,4.459431619,4.17438727,5.030437921,5.983936281,6.859614904,7.809947086,8.690305809,9.639326675,10.52085999,11.46944369,93.17825962,3.218875825,0,4.65396035,0,6.315358002,0,8.073714641,0,9.87225485,10.05552171,154.1357652,5.315026386,21.99414927,1.999468116,2.981152345,2.981152345,0,128,16,2.595,64,1.262146406,2.159722857,2.948596541,3.615768247,4.359223799,5.108381791,0,0,0,0,98.50182031,138.3603313,112.338959,67.15446432,27.35372201,5.190442836,0,0,0,0,316.5509914,432.1986079,463.2864494,390.1737872,308.4063939,158.787634,0,0,0,0,9.478124423,16.14600368,22.366925,25.65149619,30.11234413,34.32047916,0,0,0,0,2.259756297,3.132985214,3.648149602,3.565046104,3.320807662,2.271252467,0,0,0,0,180.2055318,328.4364591,464.1845515,591.110726,740.3788839,944.6299664,0,0,0,0,2.654227622,4.46208396,6.051758303,5.636228695,6.002270623,5.108381791,0,0,0,0,0.486541889,0.701763636,0.823274933,0.777658912,0.730795343,0.523098295,0,0,0,0,313.3145696,195.943058,8.509694746,52.58327425,-32.88492958,-3.870329566,260.7312954,228.8279876,12.38002431,0.85628974,0.535513016,0.023257023,0.14371026,-0.08987462,-0.010577623,114.6411255,71.69514246,3.11367896,19.24010667,-12.03252483,-1.416145243,0.106841158,0.588961861,0,3.723598261,359.5755359,6.322307953,0.982721112,0.017278888,834.7681406,28.89235436,9.415758013,1009.13479,31.76688197,10.03035705,1705.851696,41.30195754,11.94851016,1.210655335,1.121875825,477.3270946,454.986925,295.9567346,1.049100685,1.612827278,1.537342699,4.041184936,3.852244731,6.407753101,0.663381625,5.027723382,9.115508799,9.452641122,23.65290362,16.73739974,21.0438234,11.83171519,22.91663133,7.697483707,9.931236993,2.689031779,0.831312703,9.98E-16,2.36E-52,1.10E-110,1.00E-190,1.79E-292,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421582352,9.264692928,1.023614028,14.41900475,2.724035434,5.295830114,0.648284272,1.421510754,0.372625897,0.22232612,0.018939231,0.005855003,7.03E-18,1.66E-54,7.72E-113,7.04E-193,1.26E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,1.360799415,8.546291237,2.549305259,13.67900661,4.636792966,7.789170036,1.958107221,4.749834352,1.380615889,1.120389285,0.197360132,0.061013649,7.33E-17,1.73E-53,8.05E-112,7.34E-192,1.31E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,4.74538701,9.482161499,8.869060137,24.54067629,16.26691029,20.2837189,10.84199982,21.22597417,7.076716677,8.953475756,2.395879014,0.740684652,8.89E-16,2.10E-52,9.77E-111,8.91E-191,1.59E-292,0,0,0,0,0,0,0,0,0,0,0,0,0,2.005837784,8.288357632,3.654570851,13.91351823,6.050493515,9.598496983,3.136229912,7.349148924,2.217220171,2.058664116,0.428692183,0.132529799,1.59E-16,3.76E-53,1.75E-111,1.59E-191,2.85E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,6.073487625,9.478414669,11.69494067,27.95833819,21.70907659,25.96586903,16.04193407,29.60186438,10.19158883,13.9867558,3.921699606,1.212391449,1.46E-15,3.44E-52,1.60E-110,1.46E-190,2.60E-292,0,0,0,0,0,0,0,0,0,0,0,0,0,3.488955425,8.786455106,5.240337786,25.47155657,10.90725146,15.27201232,5.900664787,13.17397749,4.448264726,4.752112529,1.072634009,0.331603959,3.98E-16,9.41E-53,4.37E-111,3.99E-191,7.12E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,3.14211108,1.778346193,1.357103979,0.500530533,0.283286155,0.521304218,0.581665742,0.466913856,6.277561251,12.26533342,26.12606773,0.2507958,1.569883815,2.066239162,1.033029358,0.892288182,0.517652464,0.258803629,0.22595711,0.189914775,0.193383989,3.991556702,4.899926388,10.79605947,0.276478696,0.609255874,2.547442089,1.347847312,1.050819099,0.51503967,0.272506621,0.343098448,0.332703326,0.278331578,4.946108501,7.526807474,16.08096953,0.272559505,0.954133352,3.077815725,1.738457159,1.345842676,0.499473873,0.282120181,0.500192133,0.555094171,0.459113137,6.16211556,11.83259637,25.19584609,0.24921081,1.514399442,2.760328578,1.493193617,1.132377927,0.512510168,0.277241238,0.402683952,0.409782787,0.323976603,5.385900121,8.938299655,18.99152755,0.268765253,1.136443341,3.210053757,1.829632537,1.398866683,0.498567577,0.284168282,0.544011506,0.615715219,0.496364554,6.438552977,12.92306805,27.57747112,0.247851365,1.656091278,3.11543004,1.755191324,1.348590094,0.500936503,0.282220879,0.512478577,0.566134583,0.461049383,6.219211458,12.0366475,25.63018664,0.251404755,1.539662544 +UMLRON0008,L,Propane,CCC,6334,"Opted for Sandia value, UML from [4]","Sandia, UML",[4],C3H8,PubChem,,111,0,1.0124,1.02495376,20.0003,13.70793,0,0,14,4,10,0,4,0,0,0,0,0,0,0,0,0,587.217124,553.863243,587.221995,227.07216,27.433728,0,0,0,0,2004.905051,2417.916869,2927.143802,2345.012795,839.2610996,0,0,0,0,97.346704,93.797868,168.499308,188.583552,181.398528,0,0,0,0,15.60172905,19.5021431,25.73074786,24.04531372,12.00454843,0,0,0,0,2356.353945,1911.608545,3882.112509,4420.464727,4992.776605,0,0,0,0,23.77777778,27.33333333,39,45,27,0,0,0,0,41.94408029,42.60486485,24.46758313,8.41008,1.016064,0,0,0,0,143.2075037,185.9936053,121.9643251,86.85232572,31.08374443,0,0,0,0,6.953336,7.215220615,7.0208045,6.984576,6.718464,0,0,0,0,1.114409218,1.500164854,1.072114494,0.890567175,0.444612905,0,0,0,0,168.310996,147.0468112,161.7546879,163.7209158,184.917652,0,0,0,0,1.698412698,2.102564103,1.625,1.666666667,1,0,0,0,0,0.019912156,-0.005260684,9.27E-04,-0.020091701,0.014468957,0,0,0,0,345.9028829,-61.76837194,-22.2366139,-355.7858224,266.8393668,0,0,0,0,643.2211813,-114.8609252,-41.34993308,-661.5989293,496.199197,0,0,0,0,0.06776,-0.0121,-0.004356,-0.069696,0.052272,0,0,0,0,2.875497957,-0.513481778,-0.18485344,-2.957655041,2.218241281,0,0,0,0,15.61975054,-2.789241168,-1.00412682,-16.06602913,12.04952184,0,0,0,0,2.317460317,-1.437641723,1.503401361,-2.755102041,1.530612245,0,0,0,0,0.001422297,-4.05E-04,3.86E-05,-7.44E-04,5.36E-04,0,0,0,0,24.70734878,-4.751413226,-0.926525579,-13.17725268,9.88293951,0,0,0,0,45.94437009,-8.835455786,-1.722913878,-24.50366405,18.37774804,0,0,0,0,0.00484,-9.31E-04,-1.81E-04,-0.002581333,0.001936,0,0,0,0,0.205392711,-0.039498598,-0.007702227,-0.109542779,0.082157084,0,0,0,0,1.115696467,-0.214557013,-0.041838618,-0.595038116,0.446278587,0,0,0,0,0.16553288,-0.110587825,0.062641723,-0.102040816,0.056689342,0,0,0,0,-0.284517269,0.027167014,-0.52319391,0.37677599,0,0,0,0,-0.192307692,-0.0375,-0.533333333,0.4,0,0,0,0,-0.192307692,-0.0375,-0.533333333,0.4,0,0,0,0,-0.192307692,-0.0375,-0.533333333,0.4,0,0,0,0,-0.192307692,-0.0375,-0.533333333,0.4,0,0,0,0,-0.192307692,-0.0375,-0.533333333,0.4,0,0,0,0,-0.668071654,0.378424658,-0.616438356,0.342465753,0,0,0,0,1.836900569,0.984166918,1.611121724,0,0,0,0,0,1.75,1.1375,1.516666667,0,0,0,0,0,1.75,1.1375,1.516666667,0,0,0,0,0,1.75,1.1375,1.516666667,0,0,0,0,0,1.75,1.1375,1.516666667,0,0,0,0,0,1.75,1.1375,1.516666667,0,0,0,0,0,2.253424658,0.467465753,1.869863014,0,0,0,0,0,9.291502622,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,-8.88E-16,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9.291502622,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,-8.88E-16,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9.291502622,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,-8.88E-16,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9.291502622,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,-8.88E-16,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9.291502622,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,-8.88E-16,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9.291502622,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,-8.88E-16,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,11.89737866,5.886189331,8.323689331,11.83487866,2.958719666,5.890335365,-0.125,0,0,0,3000000,750000,5.965649139,0,11.89,12.11003668,-0.166165952,0.054292795,5.11729559,6.394051595,3,13,13,13,3,0,0,0,0,0,10.93207,3.367677256,2.333552793,2.333552793,1.050942244,0.083923071,0.083923071,0.083923071,0.083923071,1.844888628,1.249629723,1.249629723,0.405884732,0.083923071,0.083923071,0.083923071,0.083923071,3.400369243,2.405454588,2.405454588,1.16859853,0.270913902,0.270913902,0.270913902,0.270913902,1.776461506,1.134540686,1.134540686,0.250678463,0.270913902,0.270913902,0.270913902,0.270913902,3.543581628,2.704236987,2.704236987,1.635536755,0.943918427,0.943918427,0.943918427,0.943918427,1.57200699,0.76031856,0.76031856,0.28072546,0.943918427,0.943918427,0.943918427,0.943918427,3.424434988,2.457539916,2.457539916,1.25257629,0.399277246,0.399277246,0.399277246,0.399277246,1.732589073,1.058262671,1.058262671,0.145867715,0.399277246,0.399277246,0.399277246,0.399277246,3.612801227,2.838982085,2.838982085,1.834792115,1.207644823,1.207644823,1.207644823,1.207644823,1.507411593,0.631337262,0.631337262,0.475107896,1.207644823,1.207644823,1.207644823,1.207644823,3.41694038,2.571572866,2.571572866,1.289302241,0.545454545,0.545454545,0.545454545,0.545454545,1.723618466,0.935209229,0.935209229,0.073533247,0.545454545,0.545454545,0.545454545,0.545454545,0,0,0,0,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.577350269,0,0,0,0.577350269,0,0,0,0,0,0,0,0,0,3.577350269,1.732050808,1.732050808,0,0,0,0,0,0.894337567,0.577350269,0.577350269,0,0,0,0,0,3.577350269,1.732050808,1.732050808,0,0,0,0,0,0.894337567,0.577350269,0.577350269,0,0,0,0,0,6.709139019,13.43918427,12.62745098,12.8,7.992772455,108.3985808,0.479224216,0.959941733,0.901960784,0.914285714,0.570912318,7.742755774,1.6623,20.512,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.8,0,0,0,0,0,0,0,0,0,0,0,6.5,0,0,0,0,0,0.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.333333333,1.833333333,0.2,2.166666667,0.2,0.833333333,3.162166667,0.5,0.166666667,1,0.5,0.166666667,1,2,0.5,0,0,0.41429,0.7,0.41429,0.41429,0.7,0,0,0,0,0.71429,0,0,0.75,0.25,0,1.5,0.375,1.5,0.375,0,0,-1.5,-0.375,0,0,3.23204,0.80801,3.23204,0,0,1.73204,0.43301,1.73204,0,0,0.18196,0.04549,0.18196,0.04549,0,3,0,0,0,0,0,0,1,0.863120569,1.094914318,1.429911171,1.157957248,0.409776378,0,12.08368796,15.32880046,20.01875639,16.21140147,5.736869286,0,0.226698216,0.287578737,0.375565504,0.304136933,0.107627575,0,2.944234353,2.712440604,2.377443751,2.649397674,3.397578545,3.807354922,0.233248109,0.295887625,0.386416556,0.31292423,0.110737212,0,6.546092095,9.327617094,9.665235307,6.401788231,0.412982891,0,15.86062537,13.67114307,14.16374991,12.53202637,3.687987398,0,4,1.333333333,0,4,0,3,1.9,0.6722,1.5,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,1.542,3,0,0,0,0,0,0,0,0,10,1.386294361,1.386294361,0,0,0,0,0,0,0,0,2.397895273,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,1,0,1,2,1,1.5,0,0,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0.5,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,0,77.7403972,3,2.564949357,2.944438979,3.610917913,4.007333185,4.691347882,5.093750201,5.783825182,6.188264123,6.880384082,48.76521091,1.945910149,0,2.944438979,0,4.007333185,0,5.093750201,0,6.188264123,6.59441346,58.07825032,4.148446451,6.732050808,1.683012702,0,0,0,9,0,2.555,12,1.207615385,2.074292344,2.859768772,3.345220546,0,0,0,0,0,0,61.06881987,58.59234619,24.72585252,3.398958169,0,0,0,0,0,0,247.0820973,276.6206607,253.4684462,103.9819805,0,0,0,0,0,0,8.743989366,14.62175995,19.99856457,22.47474381,0,0,0,0,0,0,1.933556328,2.37188821,2.58752547,1.487328224,0,0,0,0,0,0,175.6597976,331.2416184,466.2690023,618.5903289,0,0,0,0,0,0,2.592461538,3.546572204,4.827138459,3.345220546,0,0,0,0,0,0,0.403174038,0.503720875,0.563550391,0.342550584,0,0,0,0,0,0,303.38177,72.04860789,7.157083375,124.6310057,-29.59798957,-7.357259815,178.7507642,101.6465975,14.51434319,0.708814753,0.168332844,0.016721658,0.291185247,-0.069152117,-0.017189346,129.8512735,30.83772465,3.063323121,53.3436627,-12.66831767,-3.149001195,0.122710093,0.264390249,2.74445919,14.62558684,428.0127757,0,1,0,186.2447074,13.64715016,5.710769702,283.1150683,16.82602354,6.566304143,256.0864727,16.00270204,6.350319059,1.174792123,1.174792123,108.1869239,63.68933332,63.6878559,1.698666296,1.698705702,1.000023198,2.86745198,2.151830091,4.101713045,0.906150984,2.789005534,2.845632767,1.832602745,5.757035126,2.473511415,0.322932325,2.13290188,7.73E-07,5.41E-35,7.30E-85,1.90E-156,9.53E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234061908,2.845426273,0.096940218,3.18530119,0.024648609,0.002641926,0.015022202,5.45E-09,3.81E-37,5.14E-87,1.34E-158,6.71E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.755580372,2.845440465,0.350399822,3.709602305,0.200110502,0.024645551,0.156542931,5.68E-08,3.97E-36,5.36E-86,1.39E-157,7.00E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.632593716,2.845610235,1.690677787,5.599367375,2.208830678,0.287979925,1.900377176,6.89E-07,4.82E-35,6.50E-85,1.69E-156,8.49E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.113586447,2.845458508,0.554329256,4.069709981,0.41688162,0.052629129,0.340032163,1.23E-07,8.63E-36,1.16E-85,3.03E-157,1.52E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368128095,2.845727422,2.398586387,6.341066761,3.583809945,0.469767806,3.110636939,1.13E-06,7.89E-35,1.06E-84,2.77E-156,1.39E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.604254423,2.257589742,0.692400209,5.179687504,0.763890586,0.09750119,0.634582378,2.30E-07,1.61E-35,2.17E-85,5.65E-157,2.84E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.424434498,1.424402379,0.527541276,0.421882394,0.421872881,0.535505238,0.535503266,0.467704298,3.376378154,3.531846931,7.978589394,0.265632912,1.538712803,0.931304952,0.931279515,0.16659022,0.458957505,0.458944969,0.228908814,0.228905825,0.046639885,2.029174688,1.177593581,3.351252838,0.376853712,0.504454524,1.141349124,1.141320841,0.320334133,0.43847381,0.438462944,0.343807812,0.34380504,0.172450677,2.603004098,2.033862645,5.054148573,0.315405132,0.860063529,1.413563919,1.413531947,0.519584448,0.422377935,0.422368381,0.527363002,0.527360989,0.453702066,3.346680315,3.467032805,7.851904033,0.267119474,1.508426057,1.228648316,1.22861885,0.384233641,0.432394146,0.432383777,0.398413377,0.39841079,0.248112841,2.841500806,2.453705189,5.875222229,0.297166885,1.044937008,1.458080728,1.458048153,0.552168968,0.420402397,0.420393005,0.561102108,0.56110027,0.512392141,3.468297849,3.736147786,8.378330308,0.261193102,1.634594519,1.41603164,1.415999592,0.519018798,0.422563563,0.422553999,0.529205895,0.529203855,0.452714751,3.35105003,3.474977671,7.86671241,0.267676343,1.511124501 +UMLRON0009,L,Methylpropane,CC(C)C,6360,"RON uses equivlaent mL TEL (+ 0.02); [2] has RON of 110.1, [4] has RON of 102.1; ""2-methylpropane""","Sandia, UML","[1], [3]",C4H10,PubChem,,102.05,0,1.8631,3.47114161,29.4773,19.895102,0,0,20,6,14,0,6,0,0,0,0,0,0,0,0,0,879.809622,890.819837,1216.771087,874.743915,263.650464,27.433728,0,0,0,2976.273833,3723.897138,5204.492852,5587.571361,3464.027594,839.2610996,0,0,0,139.301592,137.349428,254.005756,319.167084,430.448256,181.398528,0,0,0,22.95798067,29.53412034,43.11897672,51.12197259,40.0513783,12.00454843,0,0,0,3349.613265,2777.687448,5741.450732,7002.300698,11077.5002,4992.776605,0,0,0,33.8125,39.375,58.75,83.25,81,27,0,0,0,43.9904811,46.88525458,33.79919686,19.43875367,4.184928,1.016064,0,0,0,148.8136916,195.9945862,144.5692459,124.1682525,54.98456499,31.08374443,0,0,0,6.9650796,7.228917263,7.055715444,7.092601867,6.832512,6.718464,0,0,0,1.147899033,1.554427386,1.197749353,1.136043835,0.635736163,0.444612905,0,0,0,167.4806632,146.1940762,159.4847426,155.6066822,175.8333365,184.917652,0,0,0,1.690625,2.072368421,1.631944444,1.85,1.285714286,1,0,0,0,0.027048336,-0.007822236,0.012698697,-0.033070684,8.65E-05,0.0145836,0,0,0,508.4772378,-59.32234441,150.1218512,-671.9163499,32.68782243,294.1904019,0,0,0,945.5351364,-110.3124326,279.1579927,-1249.457145,60.78440163,547.0596147,0,0,0,0.0996072,-0.01162084,0.02940784,-0.1316238,0.00640332,0.05762988,0,0,0,4.226981996,-0.4931479,1.247966113,-5.585654781,0.271734557,2.445611012,0,0,0,22.96103329,-2.678787217,6.778971734,-30.34136542,1.476066426,13.28459783,0,0,0,3.184375,-2.06578125,2.505625,-2.83359375,-0.72140625,1.52296875,0,0,0,0.001352417,-4.12E-04,3.53E-04,-7.35E-04,1.37E-06,5.40E-04,0,0,0,25.42386189,-3.122228653,4.170051421,-14.93147444,0.518854324,10.89594081,0,0,0,47.27675682,-5.805917504,7.754388685,-27.76571432,0.964831772,20.26146721,0,0,0,0.00498036,-6.12E-04,8.17E-04,-0.002924973,1.02E-04,0.00213444,0,0,0,0.2113491,-0.025955153,0.034665725,-0.124125662,0.004313247,0.090578186,0,0,0,1.148051665,-0.140988801,0.18830477,-0.674252565,0.023429626,0.492022142,0,0,0,0.15921875,-0.108725329,0.069600694,-0.06296875,-0.011450893,0.05640625,0,0,0,-0.304415507,0.26082313,-0.543400581,0.001014699,0.39938378,0,0,0,-0.122807018,0.164021164,-0.587301587,0.020408163,0.428571429,0,0,0,-0.122807018,0.164021164,-0.587301587,0.020408163,0.428571429,0,0,0,-0.122807018,0.164021164,-0.587301587,0.020408163,0.428571429,0,0,0,-0.122807018,0.164021164,-0.587301587,0.020408163,0.428571429,0,0,0,-0.122807018,0.164021164,-0.587301587,0.020408163,0.428571429,0,0,0,-0.68286762,0.437138807,-0.39548577,-0.071919249,0.354268891,0,0,0,1.846346304,0.746388332,1.811746608,0.738389048,8.64E-05,0,0,0,1.666666667,1.005291005,1.80952381,0.646258503,0,0,0,0,1.666666667,1.005291005,1.80952381,0.646258503,0,0,0,0,1.666666667,1.005291005,1.80952381,0.646258503,0,0,0,0,1.666666667,1.005291005,1.80952381,0.646258503,0,0,0,0,1.666666667,1.005291005,1.80952381,0.646258503,0,0,0,0,2.276741904,0.393632101,1.752698724,0.852376279,0,0,0,0,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,26.56077704,13.17483296,19.33341161,26.4200363,4.403339383,13.17483643,-0.211111111,0.108656501,0.018109417,-1.331738243,15.87117691,2.645196152,1.658702815,0,11.89,12.11007471,-0.159565128,0.061612327,5.441369373,8.276237026,5,19,19,19,5,0,0,0,0,0,15.304898,3.536230485,2.795885565,2.333552793,2.333552793,1.693926432,0.465682028,0.083923071,0.083923071,1.921652917,1.500448501,1.249629723,1.249629723,0.81785388,0.083923071,0.083923071,0.083923071,3.56118879,2.847396164,2.405454588,2.405454588,1.785944101,0.570324438,0.270913902,0.270913902,1.863549726,1.406028797,1.134540686,1.134540686,0.682533265,0.270913902,0.270913902,0.270913902,3.672933425,3.068012018,2.704236987,2.704236987,2.161906112,0.966354631,0.943918427,0.943918427,1.695601312,1.110688948,0.76031856,0.76031856,0.231160645,0.943918427,0.943918427,0.943918427,3.579687853,2.885071364,2.457539916,2.457539916,1.852274019,0.643930482,0.399277246,0.399277246,1.826788205,1.34435721,1.058262671,1.058262671,0.591986566,0.399277246,0.399277246,0.399277246,3.728423245,3.171248505,2.838982085,2.838982085,2.327576178,1.207644823,1.207644823,1.207644823,1.644327546,1.013150497,0.631337262,0.631337262,0.071241004,1.124405589,1.207644823,1.207644823,3.546835522,2.964324052,2.591598066,2.591598066,1.911717882,0.614226055,0.558139535,0.558139535,1.844600938,1.249661423,0.917179462,0.917179462,0.500980685,0.558139535,0.558139535,0.558139535,0,0,0,0,0,4,1,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.560660172,0.353553391,0,0,1.060660172,0.353553391,0,1.060660172,0.353553391,0,5.207106781,2.560660172,2.914213562,1.060660172,0,0,0,0,0.86785113,0.512132034,0.416316223,0.353553391,0,0,0,0,5.207106781,2.560660172,2.914213562,1.060660172,0,0,0,0,0.86785113,0.512132034,0.416316223,0.353553391,0,0,0,0,9.792794627,19.21485798,18.07843137,18.32,11.58988144,154.455091,0.489639731,0.960742899,0.903921569,0.916,0.579494072,7.722754551,2.4425,29.746,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,4,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,8.9375,0,1.270833333,0,0,0,0,0,0,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.208333333,0,1.270833333,0,0,0,0,0,0,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.243055556,0,1.270833333,0,0,0,0,0,0,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.75,1.791666667,0.2,2.243055556,0,0.541666667,4.60625,0.708333333,0.243055556,1.875,0.708333333,0.243055556,1.875,3,0.5,0,0,0.42,0.7,0.42,0.42,0.7,0,0,0,0,0.71429,0,0,0.66667,0,0.16667,2.5,0.41667,2.5,0.41667,0,0,-2.5,-0.41667,0,0,6.37132,1.06189,6.37132,0,0,2.56066,0.42678,2.56066,0,0,0.35334,0.05889,0.35334,0.05889,0,5,0,0,0,0,0,0,1,0.881290899,1.256779649,1.833206219,2.319973094,1.887780285,0.928946231,17.62581798,25.13559299,36.66412439,46.39946188,37.75560569,18.57892462,0.203911514,0.29079143,0.424163979,0.536791229,0.436791229,0.214937919,3.440637196,3.065148445,2.488721876,2.001955001,2.43414781,3.392981864,0.207463733,0.295857132,0.431553084,0.546142345,0.444400305,0.218682223,6.616095946,11.12196095,13.48644029,13.97701613,8.79070242,0.936215265,23.80204551,18.78122881,17.25008029,17.84117505,15.2480182,5.897247046,6,1.632653061,5.333333333,6,0,4,2.12,0.954,2.449489743,2.37841423,0,3.363585661,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,2.356,7,3,0,0,0,0,0,0,0,21,1.791759469,2.079441542,1.386294361,0,0,0,0,0,0,0,3.091042453,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,5,1,0,2,3,0.5,3,0.666666667,0,0,0,0,0,0,0,0,0.6,0.095238095,0,0,0,0,0,0,0,0,0.695238095,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,0,112.3323665,3.584962501,3.218875825,3.80666249,4.634728988,5.252273428,6.084499413,6.708084084,7.5416831,8.166500319,9.000483165,65.41379081,2.397895273,0,3.663561646,0,5.081404365,0,6.532334292,0,7.989899375,8.256088134,86.10955045,4.305477522,10.46599026,1.74433171,0,0,0,28,3,3.73,24,1.220894737,2.101556087,2.934917348,3.419631249,3.913067792,0,0,0,0,0,67.74862772,82.03263662,59.95978494,14.84026213,3.975927313,0,0,0,0,0,263.8372191,335.2297699,373.2035547,192.0195147,121.6327992,0,0,0,0,0,8.859366903,14.89911472,20.8380043,23.38372301,26.28980509,0,0,0,0,0,2.030985313,2.708801968,3.389222297,2.205909959,1.739800438,0,0,0,0,0,176.3944505,330.0515217,455.0966696,599.7676578,723.5953084,0,0,0,0,0,2.573585526,3.615967564,5.499790533,4.444396674,3.913067792,0,0,0,0,0,0.422269342,0.569501942,0.724531065,0.491177962,0.400698142,0,0,0,0,0,325.8798931,108.8222762,7.732559734,125.1027355,-41.7760185,-7.344627997,200.7771575,150.5982947,15.07718773,0.722599658,0.241300372,0.017146026,0.277400342,-0.092633321,-0.016285833,146.9661708,49.07695619,3.487250114,56.4191605,-18.84025864,-3.31229964,0.080166546,0.194049974,1.603197168,9.739765541,450.9826286,0,1,0,310.4078457,17.6183951,6.770866172,446.0263509,21.11933595,7.640471717,517.0378379,22.73846604,8.026153148,1.267790508,1.186876342,191.6180182,191.1846161,114.4536037,1.00226693,1.674198207,1.670411502,3.43042054,3.220194404,5.261228039,0.633823111,3.904607748,4.742685896,2.393103584,20.60989535,2.971554359,5.339918716,6.656402721,6.657263391,2.472768236,0.006683872,3.96E-24,4.53E-67,9.99E-132,4.25E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,4.742376808,0.12889629,7.648359242,1.01893633,0.168563135,0.355225937,0.321131147,0.017415909,4.71E-05,2.79E-26,3.19E-69,7.04E-134,2.99E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,4.742398013,0.463496457,9.607608419,1.169499924,0.728339878,1.181598879,1.19319005,0.181487198,4.91E-04,2.91E-25,3.32E-68,7.33E-133,3.12E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,4.742652155,2.209359401,19.57354669,2.764279689,4.847931876,6.107976014,6.120334734,2.20319198,0.00595521,3.53E-24,4.04E-67,8.90E-132,3.79E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,4.742425006,0.731067991,11.15640069,1.346495635,1.259824479,1.88541151,1.916918129,0.394214446,0.001065558,6.32E-25,7.22E-68,1.59E-132,6.77E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,4.742827645,3.124668492,24.72276898,3.838617706,7.360678241,8.871683145,8.814486789,3.606300078,0.0097478,5.78E-24,6.61E-67,1.46E-131,6.20E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.345841756,3.656522772,0.91273544,13.8550974,1.892217798,2.193511644,3.134508877,3.18511084,0.770316119,0.002082158,1.23E-24,1.41E-67,3.11E-132,1.32E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.160427149,1.163294415,1.138901807,0.484115949,0.260675015,0.468132096,0.484978538,0.446551088,4.462623371,6.298605333,13.62353135,0.226173924,1.399661723,1.558334683,0.667003787,0.662931678,0.539539102,0.230935388,0.24544171,0.159440935,0.150969997,2.888270148,2.5146625,6.091993867,0.309308654,0.555852643,1.809074743,0.873897736,0.861615031,0.510376662,0.246544269,0.329525105,0.273693486,0.255312811,3.54458751,3.892635738,8.799390362,0.265564994,0.858531402,2.146641285,1.151949418,1.12804361,0.48493757,0.260231439,0.462235222,0.475565185,0.438063134,4.426634313,6.193776343,13.40986191,0.227406354,1.375863541,1.915750705,0.961821597,0.945930838,0.501045935,0.251555069,0.369039888,0.331537213,0.307841675,3.82350314,4.564594782,10.13107992,0.251568902,1.008418775,2.203248648,1.198529372,1.172619108,0.481647873,0.262008159,0.486688108,0.514802441,0.47342713,4.574397127,6.629648124,14.30053154,0.22247181,1.474917679,2.151506752,1.154466076,1.128907331,0.485133008,0.260315056,0.464235507,0.477645385,0.438757084,4.434880159,6.215978519,13.45488562,0.227699512,1.380637975 +UMLRON0010,L,"2,2-Dimethylbutane",CCC(C)(C)C,6403,,"Sandia, UML",[1],C6H14,PubChem,,91.8,0,0.1078,0.01162084,42.3493,25.601516,0,0,22,10,12,0,10,0,0,0,0,0,0,0,0,0,1454.833978,1876.454508,2937.78477,1979.503018,1049.399405,161.54208,7.112448,0,0,4608.173951,6459.042217,10898.09698,9666.183432,5763.093529,1874.179307,217.586211,0,0,156.026728,175.897776,348.459912,488.95876,383.60498,192.907008,47.029248,0,0,33.22435486,46.82933172,82.26866649,82.88521181,52.89843037,20.4763382,3.112290334,0,0,3486.955385,3359.002846,6939.56505,10810.89554,9084.976774,4796.153005,1294.423564,0,0,39.61111111,49.66666667,89.66666667,111.4166667,84.83333333,39,7,0,0,66.12881718,78.1856045,61.20384938,28.68844954,19.07998918,5.76936,1.016064,0,0,209.4624523,269.1267591,227.0436871,140.089615,104.7835187,66.93497526,31.08374443,0,0,7.092124,7.329074,7.2595815,7.086358841,6.974636,6.889536,6.718464,0,0,1.510197948,1.951222155,1.713930552,1.201234954,0.961789643,0.731297793,0.444612905,0,0,158.4979721,139.9584519,144.5742719,156.6796456,165.1813959,171.2911787,184.917652,0,0,1.800505051,2.069444444,1.868055556,1.6147343,1.542424242,1.392857143,1,0,0,0.053883271,-0.001727711,-0.021858794,-0.017040043,0.015121768,-0.017919597,0.016482741,0,0,660.3600491,72.03927808,-142.0774651,-530.2891303,55.03000409,40.02182116,175.0954676,0,0,1227.96771,133.9601138,-264.1991133,-986.095282,102.3306425,74.42228543,325.5974988,0,0,0.12936,0.014112,-0.027832,-0.10388,0.01078,0.00784,0.0343,0,0,5.489587008,0.598864037,-1.181092962,-4.408304719,0.457465584,0.332702243,1.455572313,0,0,29.81952376,3.253038955,-6.415715717,-23.9459812,2.484960313,1.807243864,7.906691905,0,0,3.121212121,0.180899908,-1.362947658,-1.233700643,1.121212121,-0.846189164,0.580119376,0,0,0.00244924,-7.20E-05,-4.55E-04,-2.47E-04,2.75E-04,-6.40E-04,0.002354677,0,0,30.01636587,3.001636587,-2.95994719,-7.685349715,1.000545529,1.429350756,25.01363822,0,0,55.81671408,5.581671408,-5.504148194,-14.29123597,1.860557136,2.657938766,46.5139284,0,0,0.00588,5.88E-04,-5.80E-04,-0.001505507,1.96E-04,2.80E-04,0.0049,0,0,0.249526682,0.024952668,-0.024606103,-0.063888474,0.008317556,0.011882223,0.207938902,0,0,1.355432898,0.13554329,-0.133660744,-0.347043206,0.045181097,0.064544424,1.129527415,0,0,0.141873278,0.007537496,-0.028394743,-0.017879719,0.020385675,-0.030221042,0.082874197,0,0,-0.029391962,-0.185931807,-0.100830128,0.112255755,-0.261299711,0.961391151,0,0,0.1,-0.098611111,-0.256038647,0.033333333,0.047619048,0.833333333,0,0,0.1,-0.098611111,-0.256038647,0.033333333,0.047619048,0.833333333,0,0,0.1,-0.098611111,-0.256038647,0.033333333,0.047619048,0.833333333,0,0,0.1,-0.098611111,-0.256038647,0.033333333,0.047619048,0.833333333,0,0,0.1,-0.098611111,-0.256038647,0.033333333,0.047619048,0.833333333,0,0,0.053128371,-0.200141586,-0.126025984,0.14368932,-0.213014332,0.584142395,0,0,1.028621818,1.071985823,0.976488537,0.880529769,1.373247504,0.085711492,0,0,0.9625,1.122916667,1.199637681,0.875,0.825,0,0,0,0.9625,1.122916667,1.199637681,0.875,0.825,0,0,0,0.9625,1.122916667,1.199637681,0.875,0.825,0,0,0,0.9625,1.122916667,1.199637681,0.875,0.825,0,0,0,0.9625,1.122916667,1.199637681,0.875,0.825,0,0,0,0.996763754,1.127199636,1.021141128,0.858009709,1.261529126,0,0,0,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,51.07126949,23.65962904,36.14011418,51.0023806,5.10023806,23.65962904,-0.344444444,0.021131425,0.002113142,-3.856994031,47.71653426,4.771653426,3.865277968,0,11.8,12.20008287,-0.284116548,0.115994747,7.229990757,9.563653879,12,24,22,22,10,2,2,0,0,2,13.118484,3.924496123,3.334613846,2.619821451,2.513840825,2.148760675,1.952541824,0.916951974,0.848037925,1.83925593,1.735673169,1.509079677,1.310682496,0.644706107,0.585467999,0.359940978,0.330305947,3.938686808,3.354604103,2.649603633,2.548081358,2.194899589,2.007323963,1.037117756,0.973891901,1.800157868,1.685243917,1.445094537,1.247225664,0.515559101,0.448458557,0.205029689,0.171928522,4.00178965,3.4458246,2.789508727,2.708396636,2.405086451,2.254546524,1.520803052,1.475676956,1.692254405,1.542769424,1.263268085,1.069354187,0.102621805,7.93E-04,0.316106163,0.365957075,3.949170337,3.369505515,2.672048999,2.573877882,2.229389283,2.048198198,1.123485477,1.064033653,1.775934004,1.653641406,1.404848413,1.207536974,0.430303631,0.357328503,0.100920638,0.065166415,4.033123113,3.492284326,2.862276356,2.791046315,2.509509028,2.375187786,1.728371358,1.689050719,1.660503916,1.500197419,1.209026818,1.017010369,0.034743609,0.152256589,0.500539769,0.558989443,3.944004565,3.49762675,2.704301905,2.630116164,2.249648149,2.0955655,1.28071553,1.214926233,1.79637798,1.638191713,1.325339285,1.080819941,0.288129307,0.240439249,0.056814303,0.100637309,0,0,0,4,0,0,2,4,0,0,0,0.314269681,0.549943305,0.995781916,0,0,0.23570226,0.410119041,0.664934689,0.60549886,0,0.191638319,0,0.519359402,0,0.146277398,0,1.783239899,3.238492022,3.743456942,1.406276641,2.328372981,2.432082526,6.552041764,4.949489743,4.591824721,4.349603133,4.018442913,2.638605413,1.78720836,1.047137179,0.655204176,0.412457479,0.255101373,0.161096412,0.103036998,0.065965135,0.044680209,0.029918205,6.033015716,4.299659829,3.853371151,3.455101994,2.972928357,1.802560446,1.104858789,0.581431086,0.603301572,0.358304986,0.214076175,0.127966741,0.076228932,0.045064011,0.02762147,0.016612317,13.25096682,21.32702112,20.35294118,20.56,14.79132695,165.140309,0.602316674,0.969410051,0.92513369,0.934545455,0.672333043,7.506377681,2.23698,40.934,69.06457753,80.68215568,138.1291551,13.81291551,69.06457753,0.106208875,0.010620887,-2.242347608,63.62998505,6.362998505,4.153084822,84,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,6,4,0,4,0,0,0,0,0,0,0,0,0,0,2,0,4,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.695092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.115069444,0,0,1.884930556,1.304791667,0,1.115069444,0,0,0,0,0,0,0,0,0,0,2.815324074,0,9.695092593,0,3.822916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.376481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,0.281180556,0.315902778,0,0.272916667,0,0,0,0,0,0,0,0,0,0,1.357314815,0,2.376481481,0,0.924768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.443287037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,0.333680556,0.333680556,0,0.290694444,0,0,0,0,0,0,0,0,0,0,1.458009259,0,2.443287037,0,1.009259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.33333333,1.633333333,0.333680556,2.443287037,0.272916667,0.924768519,5.696351713,0.408564815,0.443287037,3.390185185,0.408564815,0.443287037,3.390185185,5,0.5,0,0,0.48182,0.7,0.45385,0.45385,0.7,0.02797,0.02797,0,0,0.71429,0,0,0,0.4,0,8,0.8,6,0.6,2,0.2,-4,-0.4,0,0,8.413,0.8413,10.7571,2.3441,0.23441,3.9443,0.39443,4.94947,1.00516,0.10052,-0.03547,-0.00355,0.22253,0.02225,0.454545455,54,0,0,0,0,0,0,0.6,0.994030211,2.42511855,3.481714573,3.970573096,4.186704346,4.277613437,21.86866465,53.35260811,76.59772061,87.35260811,92.10749561,94.10749561,0.222905136,0.543817858,0.780752991,0.890376495,0.938842593,0.959228396,3.465401407,2.034313068,0.977717046,0.488858523,0.272727273,0.181818182,0.211476005,0.515934401,0.740721035,0.844723756,0.890704827,0.910045377,6.685280239,18.35248477,23.41450322,25.28365096,26.50076208,26.59238254,36.74662124,27.47050302,19.99424877,16.95099589,15.26525756,15.04167286,5.625,1.777777778,0.614540466,0,2,0,2.56,1.1058,0,0,0,0,6.137143265,12.89483918,0,4.242640687,0,0,0,0,0,0,0,0,0,0,0,0.003,0.159,0.192,0.621,0.876,4.8,18,27,39,40,40,35,25,10,0,256,2.708050201,3.135494216,3.610917913,4.077537444,4.234106505,4.418840608,4.48863637,4.394449155,3.713572067,0,6.212606096,1.9453125,0.25,3,0,0,3,0,0,0,0,0,0,0,0,3,0,0,1,0,1,1,0,0,0,0,6,0,3,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,4,0.333333333,1.5,1.333333333,0.375,0.097222222,0,0,0,0,0,0,0.125,0.074074074,0.0375,0.019444444,0,0,0,0,0,0,0.256018519,19.93805946,28.6921748,39.87611892,3.987611892,19.93805947,0.04889705,0.004889705,-3.018038216,55.07549411,5.507549411,4.008704864,0,139.1740115,4.321928095,4.110873864,5.017279837,5.937536205,6.857514063,7.78113851,8.703672758,9.627536403,10.55072168,11.47450683,92.06078015,3.218875825,0,4.574710979,3.433987204,6.137727054,5.777652323,7.806696373,7.867488569,9.535679436,9.896211144,132.0939004,6.004268199,21.19820746,2.119820746,0,0,0,98,10,3.722,60,1.294802911,2.240524453,3.024818184,3.881970769,4.606541731,5.59407332,0,0,0,0,113.512529,142.8446017,92.92683832,78.38719007,27.90389255,5.683936514,0,0,0,0,377.152249,523.0695464,443.6552599,418.8628046,318.3482297,173.8847454,0,0,0,0,9.52899289,16.28996976,21.48952899,27.10177977,31.78469748,37.58358021,0,0,0,0,2.682091109,3.921875463,3.76218156,3.806736152,3.448794696,2.487197189,0,0,0,0,178.7726836,322.2620301,469.8628409,639.3417605,785.2555242,1034.442904,0,0,0,0,2.738538277,4.231765869,4.984330498,6.074802123,6.53404671,5.59407332,0,0,0,0,0.549500388,0.811740153,0.796435287,0.817063227,0.759828729,0.572833108,0,0,0,0,280.48545,135.2200598,11.85318594,52.8651831,-25.48593241,-3.853047669,227.6202669,160.7059922,15.70623361,0.841412681,0.405639127,0.035557712,0.158587319,-0.076453829,-0.011558543,93.50000234,45.07569254,3.951267039,17.62264226,-8.495751703,-1.28441588,0.118650558,0.181178447,3.233745428,1.424454457,333.3506331,0,1,0,798.2621948,28.2535342,9.27645098,915.355877,30.25484882,9.70949535,1458.555464,38.19103906,11.34072927,1.137435863,1.092239603,425.5866821,370.8312794,160.1954003,1.147655836,2.656672298,2.31486846,3.736637101,3.885360026,6.5637765,0.689361206,3.673549246,6.735196842,4.943847362,14.88133977,11.67192746,10.56587754,12.11719505,6.538914105,3.464155767,1.353063282,0.973306239,1.506282188,5.44E-09,8.58E-39,2.61E-90,1.53E-163,1.73E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0.308395649,6.735106184,2.360527956,7.131649475,2.041998401,0.787183567,1.221154059,0.539836973,0.091037989,0.106986065,0.006859064,0.010608869,3.83E-11,6.04E-41,1.84E-92,1.08E-165,1.22E-260,0,0,0,0,0,0,0,0,0,0,0,0,0,0.995295241,6.735113285,2.810919164,8.232885185,3.625765573,2.383210716,2.515707091,1.229996346,0.425452732,0.349691348,0.07144542,0.11055259,3.99E-10,6.30E-40,1.91E-91,1.12E-164,1.27E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,3.467536954,6.735187257,4.758486878,14.23687431,10.94728418,9.825721638,11.12129926,5.982608901,3.132383346,1.272659486,0.867201083,1.342070311,4.85E-09,7.64E-39,2.32E-90,1.36E-163,1.54E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,1.466830276,6.735121545,3.142937558,9.131561326,4.826368077,3.597605389,3.680383135,1.862437652,0.760160709,0.519758748,0.155179183,0.240134999,8.68E-10,1.37E-39,4.16E-91,2.44E-164,2.76E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,4.436320036,6.73523691,5.661050438,17.46056721,14.50835799,13.46701712,16.17793108,8.813309416,4.834797301,1.655440124,1.419462666,2.196771009,7.94E-09,1.25E-38,3.80E-90,2.23E-163,2.52E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,2.266222565,5.935681891,3.346708405,9.994808557,7.004371959,5.169966372,6.376014055,3.620831256,1.623194379,0.981768783,0.364857273,0.564620562,2.04E-09,3.22E-39,9.78E-91,5.73E-164,6.49E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,3.013545021,1.499532961,0.880652545,0.558712566,0.278014067,0.484704816,0.534890439,0.360870448,5.393730528,8.493363701,17.8666839,0.338068848,1.380465702,2.411238129,0.813944645,0.403121264,0.664563417,0.224331984,0.31133452,0.159080373,0.075010117,3.628304039,3.262754121,7.682229743,0.496845125,0.545425011,2.613348363,1.047973467,0.565274103,0.618310433,0.247947399,0.364978043,0.264592604,0.14825379,4.226595933,4.808370158,10.58309344,0.42746565,0.777824437,2.994232163,1.478116916,0.865601298,0.560932933,0.276907204,0.478499587,0.520346063,0.348638401,5.337950377,8.29709638,17.46604681,0.3413994,1.34748405,2.717369792,1.166895179,0.647962868,0.599566017,0.257466134,0.394340346,0.327778664,0.195081175,4.532227839,5.687745181,12.27458922,0.399349025,0.917200185,3.07594363,1.568461583,0.929167345,0.551880073,0.281410454,0.505059355,0.582694529,0.401708838,5.573572558,9.139929075,19.19626895,0.327820109,1.489462721,3.016533864,1.480804817,0.865833883,0.562453255,0.276106129,0.485297735,0.523208393,0.348252554,5.363172564,8.360846088,17.59161018,0.343679882,1.356758682 +UMLRON0011,L,dicyclopentadiene,C1C=CC2C1C3CC2C=C3,6492,,UML,[1],C10H12,PubChem,,100.8,0,0.3362,0.11303044,23.0781,16.801516,0,0,17,5,12,0,5,0,0,0,0,0,0,0,0,0,733.513373,722.34154,780.930532,544.894898,169.670592,18.289152,0,0,0,2490.589442,3070.907003,3840.690913,3576.938553,2122.849263,559.5073998,0,0,0,118.324148,115.573648,211.228816,251.492168,246.65472,120.932352,0,0,0,19.27985486,24.51813172,33.41843801,34.07326687,24.03324144,8.003032287,0,0,0,2852.983605,2344.647997,4806.314708,5904.886795,6275.494221,3328.517736,0,0,0,28.02777778,32.66666667,47.33333333,57,48,18,0,0,0,43.14784547,45.14634625,26.03101773,15.13596939,4.713072,1.016064,0,0,0,146.5052613,191.9316877,128.0230304,99.35940425,58.96803508,31.08374443,0,0,0,6.960244,7.223353,7.040960533,6.985893556,6.85152,6.718464,0,0,0,1.134109109,1.532383233,1.113947934,0.946479635,0.66759004,0.444612905,0,0,0,167.822565,146.5404998,160.2104903,164.0246332,174.3192839,184.917652,0,0,0,1.64869281,2.041666667,1.577777778,1.583333333,1.333333333,1,0,0,0,0.024097139,-0.005577076,-0.002160584,-0.010416377,-0.003449456,0.009554923,0,0,0,427.2917965,-60.32354774,-56.13441248,-235.4294016,-50.26962311,188.5110867,0,0,0,794.5673416,-112.1742129,-104.384337,-437.7910254,-93.47851077,350.5444154,0,0,0,0.083703529,-0.011816969,-0.010996346,-0.046119003,-0.009847474,0.036928028,0,0,0,3.552085711,-0.501470924,-0.466646554,-1.957129578,-0.417892437,1.567096637,0,0,0,19.29498596,-2.723998018,-2.534831489,-10.63115893,-2.269998348,8.512493806,0,0,0,2.496732026,-1.31064975,0.476355248,-0.453863899,-0.875432526,0.915224913,0,0,0,0.001417479,-3.49E-04,-7.20E-05,-2.89E-04,-9.58E-05,5.31E-04,0,0,0,25.13481156,-3.770221734,-1.871147083,-6.5397056,-1.39637842,10.47283815,0,0,0,46.73925539,-7.010888308,-3.479477901,-12.16086182,-2.596625299,19.47468974,0,0,0,0.004923737,-7.39E-04,-3.67E-04,-0.001281083,-2.74E-04,0.002051557,0,0,0,0.208946218,-0.031341933,-0.015554885,-0.054364711,-0.011608123,0.087060924,0,0,0,1.134999174,-0.170249876,-0.084494383,-0.29530997,-0.06305551,0.472916323,0,0,0,0.14686659,-0.081915609,0.015878508,-0.012607331,-0.02431757,0.050845829,0,0,0,-0.245906484,-0.050808152,-0.204125661,-0.067597637,0.374488168,0,0,0,-0.15,-0.074444444,-0.260185185,-0.055555556,0.416666667,0,0,0,-0.15,-0.074444444,-0.260185185,-0.055555556,0.416666667,0,0,0,-0.15,-0.074444444,-0.260185185,-0.055555556,0.416666667,0,0,0,-0.15,-0.074444444,-0.260185185,-0.055555556,0.416666667,0,0,0,-0.15,-0.074444444,-0.260185185,-0.055555556,0.416666667,0,0,0,-0.557755236,0.108115183,-0.085842059,-0.165575916,0.346204188,0,0,0,1.792628993,1.085756573,1.240142883,0.836104827,1.79E-05,0,0,0,1.7,1.208888889,1.259259259,0.755555556,0,0,0,0,1.7,1.208888889,1.259259259,0.755555556,0,0,0,0,1.7,1.208888889,1.259259259,0.755555556,0,0,0,0,1.7,1.208888889,1.259259259,0.755555556,0,0,0,0,1.7,1.208888889,1.259259259,0.755555556,0,0,0,0,2.158376963,0.729842932,1.142233857,1.068062827,0,0,0,0,14.91858854,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,-1.78E-15,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,14.91858854,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,-1.78E-15,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,14.91858854,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,-1.78E-15,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,14.91858854,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,-1.78E-15,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,14.91858854,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,-1.78E-15,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,14.91858854,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,-1.78E-15,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19.04561848,9.44642035,14.67123205,18.95395181,3.790790362,9.446563727,-0.152777778,0.059659743,0.011931949,-1.409548904,10.93742667,2.187485334,1.196095273,0,11.89,12.11005553,-0.164834017,0.055802357,5.126992646,7.020913596,4,16,16,16,4,0,0,0,0,0,13.118484,3.436053414,2.757162924,2.333552793,1.74701597,0.987460973,0.083923071,0.083923071,0.083923071,1.879820889,1.479823839,1.249629723,0.850338063,0.382018208,0.083923071,0.083923071,0.083923071,3.466127007,2.81034045,2.405454588,1.837020921,1.110191623,0.270913902,0.270913902,0.270913902,1.815440778,1.383559899,1.134540686,0.717017599,0.224006118,0.270913902,0.270913902,0.270913902,3.598324271,3.03749745,2.704236987,2.205306933,1.593856555,0.943918427,0.943918427,0.943918427,1.624670542,1.081321637,0.76031856,0.273258628,0.319939306,0.943918427,0.943918427,0.943918427,3.488286403,2.849202999,2.457539916,1.901928269,1.197573369,0.399277246,0.399277246,0.399277246,1.774306747,1.320593226,1.058262671,0.627879323,0.117102762,0.399277246,0.399277246,0.399277246,3.662552056,3.143442614,2.838982085,2.367920828,1.798742767,1.207644823,1.207644823,1.207644823,1.564855323,0.981104075,0.631337262,0.116401873,0.520282299,1.207644823,1.207644823,1.207644823,3.474673436,2.94680938,2.60407788,1.975063151,1.262209987,0.566037736,0.566037736,0.566037736,1.773400793,1.209675239,0.905964672,0.524954837,0.018649614,0.566037736,0.566037736,0.566037736,0,0,0,0,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0.40824829,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,8.250966823,16.32702112,15.35294118,15.56,9.791326946,131.4268359,0.48535099,0.960413007,0.903114187,0.915294118,0.575960409,7.730990349,2.0524,25.129,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,6.643518519,0,1.305555556,0,0,0,0.884259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.199074074,0,1.305555556,0,0,0,0.884259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.222222222,0,1.305555556,0,0,0,0.884259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.833333333,1.766666667,0.2,2.222222222,0.2,0.884259259,3.875087963,0.449074074,0.222222222,1.287037037,0.449074074,0.222222222,1.287037037,2.5,0.5,0,0,0.41765,0.7,0.41765,0.41765,0.7,0,0,0,0,0.71429,0,0,0.6,0.2,0,2,0.4,2,0.4,0,0,-2,-0.4,0,0,4.43249,0.8865,4.43249,0,0,2.27005,0.45401,2.27005,0,0,0.14395,0.02879,0.14395,0.02879,0,4,0,0,0,0,0,0,1,0.873981048,1.277201811,2.173973135,2.660129753,2.179251771,0.971911945,14.85767782,21.71243079,36.95754329,45.22220579,37.04728011,16.52250306,0.213819937,0.312468116,0.531863706,0.650802186,0.533155127,0.237778784,3.213481793,2.81026103,1.913489707,1.427333089,1.90821107,3.115550896,0.218495262,0.319300453,0.543493284,0.665032438,0.544812943,0.242977986,6.588780814,11.42742997,14.11252476,14.60248557,8.831949795,0.979517187,19.83472123,15.09086009,14.02537168,14.16019229,11.2749244,4.506618548,5,2.25,4,5,0,4,2.01,0.8131,1.144714243,1.889881575,2.381101578,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,2.041,4,2,0,0,0,0,0,0,0,15,1.609437912,1.609437912,1.098612289,0,0,0,0,0,0,0,2.772588722,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,4,1,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,0,95.03638183,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,72.09390038,4.24081767,8.696801932,1.739360386,0,0,0,18,2,3.124,16,1.2155,2.091621178,2.863343203,3.446051891,4.115155856,0,0,0,0,0,65.03495578,62.3904171,47.82482086,17.40723262,4.181261719,0,0,0,0,0,257.0304509,291.4144008,298.7912011,211.9993937,127.9144529,0,0,0,0,0,8.812494779,14.78443243,20.04136918,23.65264872,27.64752647,0,0,0,0,0,1.991404788,2.477132363,2.801831114,2.370859153,1.829651399,0,0,0,0,0,176.0959978,330.9145584,466.8123526,597.3714165,760.9649585,0,0,0,0,0,2.537166667,3.434054757,4.644254449,4.699842646,4.115155856,0,0,0,0,0,0.414511875,0.525100859,0.603524994,0.525397321,0.42139196,0,0,0,0,0,320.2387707,92.8247418,7.655435269,145.9846401,-42.31525899,-8.564313563,174.2541307,135.1400008,16.21974883,0.686878358,0.199099272,0.016420101,0.313121642,-0.090761764,-0.018369549,149.302812,43.27706773,3.569143142,68.06145682,-19.72836437,-3.992883481,0.101360989,0.224051029,2.053958423,13.06347447,466.2234108,0,1,0,248.3262766,15.75837163,6.285515363,364.5707096,19.09373482,7.143766615,368.1829809,19.18809477,7.16728328,1.267790508,1.186876342,186.2243751,142.7019021,67.41636493,1.304988738,2.762302229,2.116724956,3.253688013,3.220194404,5.261228039,0.633823111,3.346806641,3.794134052,1.964803369,12.35254195,3.808060065,2.687906091,3.564863284,6.657112493,1.876965427,0.006683872,3.96E-24,4.53E-67,9.99E-132,4.25E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.28087429,3.793901362,0.117901153,4.327785163,0.525903081,0.084417762,0.252753718,0.321130085,0.013219621,4.71E-05,2.79E-26,3.19E-69,7.04E-134,2.99E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.906696446,3.793917383,0.411563119,5.412198172,0.755395065,0.365499692,0.747367955,1.193178975,0.137758643,4.91E-04,2.91E-25,3.32E-68,7.33E-133,3.12E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.15911246,3.794108671,1.822257892,11.66542288,3.451306405,2.439958441,3.297904502,6.120200287,1.672342403,0.00595521,3.53E-24,4.04E-67,8.90E-132,3.79E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336303737,3.793937727,0.637895299,6.320992253,1.043717658,0.632786399,1.14078374,1.916894072,0.299230181,0.001065558,6.32E-25,7.22E-68,1.59E-132,6.77E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041753714,3.794240666,2.526056809,15.11900666,5.305882881,3.706502362,4.62617874,8.814266718,2.737377675,0.0097478,5.78E-24,6.61E-67,1.46E-131,6.20E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.995692817,3.140274202,0.849191287,7.83540372,1.714739551,1.133643829,1.897012397,3.275844955,0.601377317,0.002141504,1.27E-24,1.45E-67,3.20E-132,1.36E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.427091101,1.2510663,0.545210867,0.574681379,0.296224772,0.510803151,0.477090672,0.439916155,4.223368268,5.04182327,10.9206981,0.362022069,1.427809978,1.813650618,0.770195756,0.165976982,0.659551682,0.280089175,0.286860091,0.182553256,0.041462335,2.749823355,1.82572503,4.807395989,0.489327522,0.510875682,2.071390371,0.972615682,0.325537748,0.614739114,0.288649069,0.37311756,0.28991478,0.158335578,3.369543801,3.005605633,7.030999513,0.422108671,0.821367918,2.413252771,1.240250647,0.536674805,0.575930818,0.295989951,0.505041298,0.468972534,0.426401201,4.190178222,4.953781543,10.75024802,0.363896227,1.400415033,2.180053477,1.057782551,0.392706367,0.600475973,0.291356617,0.41288187,0.342330833,0.229729107,3.630542395,3.577541353,8.113673477,0.400713959,0.98494181,2.470014698,1.284605968,0.571683099,0.570929558,0.296929212,0.528884293,0.502699171,0.483140561,4.326303765,5.319448801,11.45970054,0.356394337,1.514724026,2.420268576,1.24243583,0.536632147,0.576345464,0.295864791,0.507908162,0.470517398,0.426001837,4.199336553,4.972553327,10.78555798,0.364518197,1.404427398 +UMLRON0012,L,2-Methylbutane,CCC(C)C,6556,"""isopentane""; [4] has RON/MON of 93/89.7","Sandia, UML",[1],C5H12,PubChem,,92.3,0,1.8614,3.46480996,24.5764,14.134344,0,0,13,5,8,0,5,0,0,0,0,0,0,0,0,0,729.449117,673.913188,691.100596,460.059602,120.140496,10.16064,0,0,0,2366.254464,2611.960538,2882.115876,2515.513922,1374.550736,310.8374443,0,0,0,91.450292,87.10312,127.813072,128.164808,137.961792,67.18464,0,0,0,17.50140324,20.06395448,23.40056331,22.05664615,14.91264074,4.446129048,0,0,0,2113.312997,1732.157806,2809.868614,2767.139684,3412.197102,1849.17652,0,0,0,36.77777778,37.66666667,43,48.33333333,36,10,0,0,0,56.11147054,56.15943233,38.39447756,25.55886678,6.0070248,1.016064,0,0,0,182.0195742,217.6633782,160.1175487,139.7507734,68.7275368,31.08374443,0,0,0,7.034637846,7.258593333,7.100726222,7.120267111,6.8980896,6.718464,0,0,0,1.346261788,1.671996207,1.300031295,1.225369231,0.745632037,0.444612905,0,0,0,162.5625382,144.3464838,156.1038119,153.7299825,170.6098551,184.917652,0,0,0,2.829059829,3.138888889,2.388888889,2.685185185,1.8,1,0,0,0,0.04586352,-0.009952446,-0.001123338,-0.019580794,-0.012674402,0.020399219,0,0,0,372.5107969,-45.8474827,15.04370526,-273.6521624,-60.89118796,179.0917293,0,0,0,692.6997337,-85.25535183,27.97441232,-508.8678813,-113.2297642,333.0287181,0,0,0,0.072972308,-0.008981207,0.002946959,-0.05360658,-0.011928166,0.03508284,0,0,0,3.096690107,-0.38113109,0.125058639,-2.274876194,-0.506189729,1.488793321,0,0,0,16.82126981,-2.070310131,0.679320512,-12.35716359,-2.749630642,8.087148947,0,0,0,7.025641026,-2.946745562,1.494411571,-1.744904668,-2.945430638,2.629848784,0,0,0,0.003527963,-8.29E-04,-6.24E-05,-0.001087822,-6.34E-04,0.002039922,0,0,0,28.65467669,-3.820623558,0.835761403,-15.20289791,-3.044559398,17.90917293,0,0,0,53.2845949,-7.104612653,1.554134018,-28.27043785,-5.661488208,33.30287181,0,0,0,0.005613254,-7.48E-04,1.64E-04,-0.002978143,-5.96E-04,0.003508284,0,0,0,0.238206931,-0.031760924,0.006947702,-0.126382011,-0.025309486,0.148879332,0,0,0,1.293943832,-0.172525844,0.037740028,-0.686509088,-0.137481532,0.808714895,0,0,0,0.540433925,-0.24556213,0.083022865,-0.096939148,-0.147271532,0.262984878,0,0,0,-0.235084788,-0.017689427,-0.308342761,-0.179627762,0.578215208,0,0,0,-0.133333333,0.029166667,-0.530555556,-0.10625,0.625,0,0,0,-0.133333333,0.029166667,-0.530555556,-0.10625,0.625,0,0,0,-0.133333333,0.029166667,-0.530555556,-0.10625,0.625,0,0,0,-0.133333333,0.029166667,-0.530555556,-0.10625,0.625,0,0,0,-0.133333333,0.029166667,-0.530555556,-0.10625,0.625,0,0,0,-0.454379562,0.153622601,-0.179372803,-0.272506083,0.486618005,0,0,0,1.351402823,0.886610173,1.32613749,1.07165336,0.052064099,0,0,0,1.3,0.975,1.516666667,0.8775,0,0,0,0,1.3,0.975,1.516666667,0.8775,0,0,0,0,1.3,0.975,1.516666667,0.8775,0,0,0,0,1.3,0.975,1.516666667,0.8775,0,0,0,0,1.3,0.975,1.516666667,0.8775,0,0,0,0,1.636861314,0.590429846,1.228304947,1.281021898,0,0,0,0,11.54570973,5.772854865,9.052051674,11.54570973,2.309141946,5.780645441,2.66E-15,0.010545422,0.002109084,-2.276031743,12.26040891,2.452081781,1.253187641,11.54570973,5.772854865,9.052051674,11.54570973,2.309141946,5.780645441,2.66E-15,0.010545422,0.002109084,-2.276031743,12.26040891,2.452081781,1.253187641,11.54570973,5.772854865,9.052051674,11.54570973,2.309141946,5.780645441,2.66E-15,0.010545422,0.002109084,-2.276031743,12.26040891,2.452081781,1.253187641,11.54570973,5.772854865,9.052051674,11.54570973,2.309141946,5.780645441,2.66E-15,0.010545422,0.002109084,-2.276031743,12.26040891,2.452081781,1.253187641,11.54570973,5.772854865,9.052051674,11.54570973,2.309141946,5.780645441,2.66E-15,0.010545422,0.002109084,-2.276031743,12.26040891,2.452081781,1.253187641,11.54570973,5.772854865,9.052051674,11.54570973,2.309141946,5.780645441,2.66E-15,0.010545422,0.002109084,-2.276031743,12.26040891,2.452081781,1.253187641,17.02557197,8.36834154,13.45815433,16.85223863,3.370447727,8.368861269,-0.288888889,0.05598953,0.011197906,-1.441295282,12.99388184,2.598776368,1.282239309,0,11.79,12.21002884,-0.293085342,0.128161241,5.216910898,7.225503793,4,12,10,10,2,2,2,0,0,2,8.745656,3.506331298,2.764613634,2.222859049,1.195483278,0.375996274,0.083923071,0.083923071,0.083923071,1.81439309,1.368288514,1.103885086,0.443024563,0.083923071,0.083923071,0.083923071,0.083923071,3.524951184,2.804147587,2.291387996,1.296340011,0.498328236,0.270913902,0.270913902,0.270913902,1.764867156,1.280491551,0.992549805,0.293590896,0.270913902,0.270913902,0.270913902,0.270913902,3.610337571,2.982224537,2.577669406,1.714145817,0.960746841,0.943918427,0.943918427,0.943918427,1.628099892,1.018280621,0.631605629,0.208535676,0.943918427,0.943918427,0.943918427,0.943918427,3.538851994,2.833553284,2.341133305,1.369538694,0.584350256,0.399277246,0.399277246,0.399277246,1.734126967,1.224072766,0.91884751,0.193271309,0.399277246,0.399277246,0.399277246,0.399277246,3.654102306,3.070295529,2.70733767,1.899062113,1.207644823,1.207644823,1.207644823,1.207644823,1.588143398,0.936625274,0.507637922,0.387037054,1.145151215,1.207644823,1.207644823,1.207644823,3.513270313,2.921219723,2.371533841,1.384881941,0.515795136,0.428571429,0.428571429,0.428571429,1.78218891,1.186509503,0.849274809,0.174442018,0.428571429,0.428571429,0.428571429,0.428571429,0,0,2,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.204124145,0,0,0,0.40824829,0,0,0.144337567,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.491563832,1.550476816,1.050476816,0.348461713,0,0,0,0,0.698312766,0.387619204,0.262619204,0.174230856,0,0,0,0,7.167311215,12.55134741,11.90196078,12.04,8.194217964,98.85571497,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,1.60088,24.471,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,1,0,0,0,1,0,3,0,0,0,0,0,0,0,0,1,2,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.756944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.856597222,0.422222222,0,0,0,0.333680556,0,1.278819444,0,0,0,0,0,0,0,0,1.909722222,7.016203704,0,0,1.722222222,0,0,0,0,1.018518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.018518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.422222222,0,0,0,0.333680556,0,0.422222222,0,0,0,0,0,0,0,0,1.909722222,3.460648148,0,0,1.722222222,0,0,0,0,1.018518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.434375,0.422222222,0,0,0,0.333680556,0,0.434375,0,0,0,0,0,0,0,0,1.909722222,3.555555556,0,0,1.722222222,0,0,0,0,1.018518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.66666667,2.333333333,0.434375,3.555555556,0.1875,1.018518519,3.394763889,0.648148148,0.555555556,2.032407407,0.648148148,0.555555556,2.032407407,2.5,0.5,0,0,0.45385,0.7,0.41765,0.41765,0.7,0.0362,0.0362,0,0,0.71429,0,0,0.6,0.2,0,5,1,2,0.4,3,0.6,1,0.2,0,0,1.95603,0.39121,4.43249,2.47646,0.49529,1.01856,0.20371,2.27005,1.25149,0.2503,0.14395,0.02879,0.14395,0.02879,0,4,0,0,0,0,0,0,0.2,0.961236605,2.28778372,2.719294526,3.026986833,2.457688415,1.319091579,12.49607586,29.74118836,35.35082883,39.35082883,31.9499494,17.14819052,0.259762806,0.61824645,0.734857134,0.818007335,0.664161181,0.356468874,2.739203113,1.412655998,0.981145192,0.673452885,1.242751303,2.381348139,0.252468347,0.60088533,0.714221443,0.795036684,0.64551072,0.34645879,6.796774065,16.25915141,18.38514265,18.69524266,11.86366164,1.329413513,19.35422196,14.22465798,12.38153552,11.95049569,8.534705181,3.126370208,5,2.25,4,5,4,4,2.01,0.7271,1.144714243,1.889881575,2.381101578,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.127,0.124,0.183,0.302,2.032,4,2,0,0,0,0,0,0,0,15,1.945910149,2.079441542,1.945910149,0,0,0,0,0,0,0,3.218875825,1.6,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,2,0.5,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,0,89.76346443,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,68.06260026,5.235584635,8.696801932,1.739360386,0,0,0,18,2,2.348,16,1.196,2.10664765,2.971523845,3.556040489,4.146565586,0,0,0,0,0,75.1401554,89.84372896,78.94668717,21.96044306,4.213176015,0,0,0,0,0,278.9551442,362.2004484,423.59184,248.9174542,128.8907849,0,0,0,0,0,8.706791628,15.01230567,21.17591648,24.55145194,27.85855161,0,0,0,0,0,2.100787256,2.888477616,3.691247202,2.687638367,1.84361657,0,0,0,0,0,171.0499271,325.0445479,455.5414747,604.9777444,766.7731721,0,0,0,0,0,3.853805556,5.295696138,8.044190921,6.432216548,4.146565586,0,0,0,0,0,0.4350675,0.60548617,0.784046373,0.591762749,0.424608316,0,0,0,0,0,295.8823956,106.2478071,12.5177087,218.2221925,-78.36096283,-14.43504522,77.66020312,184.6087699,26.95275392,0.575529576,0.206665744,0.024348564,0.424470424,-0.15242222,-0.028078032,152.1144971,54.62248509,6.435411477,112.1890304,-40.28573052,-7.421122976,0.171055272,0.27419753,4.756604884,6.864021478,514.1045881,0,1,0,305.925763,17.49073363,6.738119113,384.4836131,19.6082537,7.271532422,439.0708088,20.95401653,7.600547103,1.416161213,1.058136742,165.2246728,118.9870947,49.6084266,1.388593218,3.330576762,2.398525873,3.025896013,3.315270577,5.430461831,0.638014667,2.639531139,2.122063837,3.184239456,5.377359902,0.501315053,3.080710812,3.239512878,3.756500015,0.067698353,0.616587097,8.18E-15,2.09E-50,1.03E-107,9.82E-187,1.80E-287,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.221549681,1.216023298,0.190495859,2.370475723,0.010867261,0.130421049,0.216978274,0.119433154,4.77E-04,0.004342673,5.76E-17,1.47E-52,7.27E-110,6.92E-189,1.27E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.715111246,1.276566837,0.664871995,2.888495742,0.055641785,0.475859155,0.736399698,0.514578702,0.004968684,0.045254004,6.00E-16,1.54E-51,7.58E-109,7.21E-188,1.32E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.491504046,2.022588562,2.952600881,5.159407731,0.451714031,2.809256306,3.019968231,3.410993245,0.060318015,0.549368002,7.29E-15,1.86E-50,9.20E-108,8.75E-187,1.61E-287,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.053925787,1.355064612,1.031108594,3.272530149,0.102808592,0.789234566,1.121928557,0.888941626,0.010792637,0.098297745,1.30E-15,3.33E-51,1.65E-108,1.57E-187,2.87E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.187608834,2.540343923,4.096806229,6.222798796,0.707192569,4.188926525,4.091568271,5.175240909,0.098731675,0.899234333,1.19E-14,3.05E-50,1.51E-107,1.43E-186,2.63E-287,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.234541978,0.964011672,0.952135609,3.330050046,0.124892669,0.802731341,1.393689132,1.047452746,0.012434398,0.113250691,1.50E-15,3.84E-51,1.90E-108,1.80E-187,3.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.694240069,1.357791028,0.128641396,0.644451359,0.324778138,0.557762398,0.494377812,0.153846154,4.180672493,4.179473931,8.830744308,0.466677038,1.205986364,1.731955568,0.704040634,0.024746647,0.703834441,0.286108983,0.228585502,0.136071998,0.005693219,2.460742849,1.279649835,3.770567932,0.555751661,0.370350719,2.086292282,0.948013822,0.063211941,0.673536764,0.306055948,0.332308147,0.244847206,0.037146971,3.097518045,2.169638299,5.392179065,0.510305147,0.614302323,2.667429647,1.339898342,0.125767437,0.64538303,0.324187613,0.546540738,0.48177677,0.147048831,4.133095426,4.078075931,8.660674811,0.468074544,1.175366339,2.255534132,1.063040306,0.081487529,0.663380301,0.312653215,0.389001207,0.306563761,0.061731588,3.400061967,2.668146124,6.263592668,0.495070452,0.757296555,2.779275875,1.414452237,0.137751085,0.641645902,0.326551779,0.594140498,0.535294099,0.176406756,4.331479197,4.508843579,9.381843366,0.462468852,1.305841353,2.665455204,1.339317991,0.124944804,0.64543274,0.324312215,0.545526013,0.481763753,0.145131457,4.129718,4.070267713,8.646025184,0.46814911,1.172421223 +UMLRON0013,L,"2-methyl-1,3-butadiene",CC(=C)C=C,6557,Sandia Ron averaged between valuese 99.1 and 99 from independent api report and co-optima database (sourced from there own api) I thinkk we should go with UML source ,"Sandia, UML",[1],C5H8,PubChem,,99.05,0,0.1242,0.01542564,21.5446,14.50993,0,0,15,5,10,0,4,0,1,0,0,0,0,0,0,0,843.185125,750.047136,809.60784,616.436106,143.329536,6.096384,0,0,0,2221.295828,2687.923385,3331.733076,2948.832557,1405.397394,186.5024666,0,0,0,110.69842,106.185288,184.0386,217.72332,218.86848,40.310784,0,0,0,16.24493305,20.26270678,27.25039803,26.5898303,15.21718044,2.667677429,0,0,0,2541.80523,2097.013603,4035.989087,4944.130765,5485.5391,1109.505912,0,0,0,58.02777778,38.66666667,54.66666667,70.33333333,62,6,0,0,0,56.21234167,53.57479543,32.3843136,20.5478702,4.7776512,1.016064,0,0,0,148.0863886,191.9945275,133.269323,98.29441858,46.8465798,31.08374443,0,0,0,7.379894667,7.584663429,7.361544,7.257444,7.295616,6.718464,0,0,0,1.082995537,1.447336198,1.090015921,0.886327677,0.507239348,0.444612905,0,0,0,169.453682,149.7866859,161.4395635,164.8043588,182.8513033,184.917652,0,0,0,3.868518519,2.761904762,2.186666667,2.344444444,2.066666667,1,0,0,0,0.22100372,-0.103390016,-0.029376669,0.046322052,-0.053439556,0.029382329,0,0,0,476.9038497,-65.66428988,-84.27436056,-205.1629921,23.8136108,92.83610691,0,0,0,665.1575892,-80.97945498,-96.82109803,-528.8738973,246.5759258,127.5197299,0,0,0,1.034995733,-0.103350151,-0.136179289,0.018791467,-0.3718448,0.075084907,0,0,0,2.896898448,-0.288018268,-0.316483651,-2.817756022,1.514976868,0.45883185,0,0,0,16.06108614,-1.477481838,-1.571214465,-16.08214682,8.777520432,2.322779618,0,0,0,23.27037037,-3.989382716,-3.093209877,2.340740741,-8.52962963,1.636296296,0,0,0,0.014733581,-0.007385001,-0.001175067,0.001544068,-0.001781319,0.004897055,0,0,0,31.79358998,-4.69030642,-3.370974422,-6.838766404,0.793787027,15.47268448,0,0,0,44.34383928,-5.784246784,-3.872843921,-17.62912991,8.219197526,21.25328832,0,0,0,0.068999716,-0.007382154,-0.005447172,6.26E-04,-0.012394827,0.012514151,0,0,0,0.193126563,-0.020572733,-0.012659346,-0.093925201,0.050499229,0.076471975,0,0,0,1.070739076,-0.105534417,-0.062848579,-0.536071561,0.292584014,0.387129936,0,0,0,1.551358025,-0.284955908,-0.123728395,0.078024691,-0.284320988,0.272716049,0,0,0,-0.501235986,-0.07975432,0.104799259,-0.120901937,0.332373695,0,0,0,-0.147523649,-0.106026857,-0.215098905,0.024966889,0.486660503,0,0,0,-0.130440821,-0.087336685,-0.397555336,0.185351509,0.479283902,0,0,0,-0.106988175,-0.078944841,0.009078041,-0.17963591,0.181365257,0,0,0,-0.106524618,-0.065549481,-0.486340145,0.261482564,0.395968186,0,0,0,-0.098562217,-0.058696446,-0.500655643,0.27325426,0.361553944,0,0,0,-0.18368159,-0.079754894,0.050294445,-0.183272322,0.175791819,0,0,0,1.389539695,0.809893925,0.644079106,1.312486532,1.100354501,0,0,0,1.394650417,1.126188845,1.132487094,0.77818534,0,0,0,0,1.611680217,1.221972382,1.395988706,0.333583541,0,0,0,0,1.046261318,0.910272661,0.716898543,1.536285625,0,0,0,0,1.696559902,1.243668601,1.50092009,0.170961455,0,0,0,0,1.704790797,1.24061085,1.511709908,0.158878678,0,0,0,0,1.134012414,0.910456788,0.687967531,1.524112685,0,0,0,0,13.92632712,7.08816356,10.60253706,14.07632712,2.815265424,7.090016249,0.25,0.005675938,0.001135188,-2.585759682,12.4729714,2.494594281,1.261782008,13.92923326,7.089249421,10.60453917,14.07879261,2.815758522,7.091099704,0.249265579,0.005841989,0.001168398,-2.571341975,12.47180918,2.494361837,1.261735416,16.51231851,8.056662016,12.611359,16.27292182,3.254584365,8.05729089,-0.398994478,0.13621784,0.027243568,-0.996749957,13.46107532,2.692215064,1.299901106,13.93228334,7.090389069,10.60664112,14.08138022,2.816276043,7.092236831,0.2484948,0.00601625,0.00120325,-2.556645581,12.47059513,2.494119026,1.261686742,19.26143465,9.089570194,15.08429315,18.61205809,3.722411619,9.089785787,-1.082294264,0.221349064,0.044269813,-0.754007174,26.01558515,5.203117031,1.629347894,14.23078816,7.201961175,10.81568961,14.33466868,2.866933735,7.203580376,0.173134186,0.0229788,0.00459576,-1.886591621,12.37984116,2.475968232,1.258034718,15.19901962,7.892912587,12.08714947,15.55110295,3.11022059,7.893825397,0.586805556,0.040294328,0.008058866,-1.605772287,11.27938123,2.255876246,1.211488195,0,11.99646149,15.99794197,-0.421345168,0.071853976,3.945673112,6.6197529,4,14,14,14,4,0,0,0,0,0,10.93207,3.416114232,2.617427588,2.333552793,1.502468948,0.96052669,0.083923071,0.083923071,0.083923071,1.827242846,1.249629723,1.197541044,0.454601709,0.349430602,0.083923071,0.083923071,0.083923071,3.417579556,2.520270316,2.405454588,1.382376701,1.053421808,0.270913902,0.270913902,0.270913902,1.777948972,1.172434023,1.134540686,0.415704701,0.209105972,0.270913902,0.270913902,0.270913902,3.569695903,2.858395339,2.704236987,1.9222596,1.573511089,0.943918427,0.943918427,0.943918427,1.572262975,0.783975778,0.76031856,0.172700941,0.366012371,0.943918427,0.943918427,0.943918427,3.432896708,2.521723674,2.457539916,1.386771089,1.121433591,0.399277246,0.399277246,0.399277246,1.747694586,1.155924666,1.058262671,0.376962464,0.104894844,0.399277246,0.399277246,0.399277246,3.626109758,2.930147916,2.838982085,2.048659295,1.7777981,1.207644823,1.207644823,1.207644823,1.516484896,0.700455145,0.631337262,0.311077822,0.563112515,1.207644823,1.207644823,1.207644823,4.214646979,3.323047619,2.634654398,2.102082053,1.282295295,0.585365854,0.585365854,0.585365854,1.671967161,0.878556837,0.841259084,0.016573927,0.290655055,0.585365854,0.585365854,0.585365854,0,0,0,0,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0.182574186,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.731670646,1.879176595,1.576421036,0.365148372,0,0,0,0,0.746334129,0.469794149,0.394105259,0.182574186,0,0,0,0,7.423938123,14.76984705,13.97647059,14.2,8.473011976,116.5531018,0.494929208,0.98465647,0.931764706,0.946666667,0.564867465,7.770206786,0.6347,21.9238,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.713888889,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0.713888889,0,0,0,0,0,0,0,0,0,0,0,0,0,1.286111111,0,0,0,0,0,0,0,0,0,0,0,3.944444444,0,0.305555556,0,0,0,0.439814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.713888889,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0.713888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.972222222,0,0.305555556,0,0,0,0.439814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.713888889,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0.713888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.972222222,0,0.305555556,0,0,0,0.439814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.83333333,2.566666667,0.713888889,8.143518519,0.2625,0.305555556,2.038199074,1.194444444,2.143518519,4.287037037,1.194444444,2.143518519,4.287037037,2.33333,0.46667,0,0.03333,0.48444,0.85333,0.41765,0.48444,0.76111,0.0668,0,-0.0668,0.09222,0.54687,0.16742,0,0.57143,0.21429,0,2.25,0.45,2.25,0.45,0,0,-2.25,-0.45,0,0,3.71082,0.74216,4.43249,0.72167,0.14433,1.94148,0.3883,2.27005,0.32857,0.06571,0.14395,0.02879,0.14395,0.02879,0,4.01,1,1,1,1,1,1,1,1.158938532,1.871602261,2.606238929,2.606238929,2.085320183,0.789230611,17.38407799,28.07403392,39.09358393,39.09358393,31.27980274,11.83845916,0.296639618,0.479051618,0.667087768,0.667087768,0.533754435,0.202009908,2.747952063,2.035288334,1.300651667,1.300651667,1.821570413,3.117659985,0.304394667,0.491575464,0.684527443,0.684527443,0.547708376,0.207291053,10.66110191,15.77621224,16.51659746,16.51659746,10.26557251,0.795406366,18.1875248,14.100286,14.32892941,14.32892941,11.20341694,3.433086801,5,2.25,4,5,0,3,1.79,0.7309,0.5,1,2,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,2.392,4,2,0,0,0,0,0,0,0,15,1.609437912,1.609437912,1.098612289,0,0,0,0,0,0,0,2.772588722,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,4,1,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,20.23,86.5306239,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,74.07316494,4.938210996,8.696801932,1.739360386,2.329115249,2.329115249,0,18,2,0.579,16,1.209285714,2.096561651,2.851352431,3.344286374,3.468316485,0,0,0,0,0,76.07321488,76.80543541,64.02003241,16.71516709,3.524031521,0,0,0,0,0,256.146358,302.2976243,289.843852,158.2971691,107.8082632,0,0,0,0,0,9.195663069,15.50505884,20.77460662,24.56294982,23.30175944,0,0,0,0,0,1.87702597,2.418954685,2.571443123,1.689597865,1.542058267,0,0,0,0,0,178.755922,334.709255,468.0768022,612.1121639,641.3529409,0,0,0,0,0,3.401261905,4.757655256,6.980042179,7.204908131,3.468316485,0,0,0,0,0,0.417144579,0.545917879,0.609531284,0.445465187,0.355155608,0,0,0,0,0,306.9418817,165.8276765,12.0155002,136.7047763,-73.85579084,-19.05180645,170.2371054,239.6834673,31.06730664,0.691861138,0.37378322,0.027083491,0.308138862,-0.166474354,-0.042943649,136.17374,73.56889447,5.330636506,60.64861711,-32.76587478,-8.452270257,0.38821531,0.731956727,5.298868697,26.28591895,394.0855058,49.56115211,0.888286881,0.111713119,283.9246063,16.8500625,6.572556742,389.1388631,19.72660293,7.300762184,426.4238458,20.65003259,7.526859815,1.200879612,1.130580617,179.7098287,135.8239085,65.28876922,1.323108948,2.752538161,2.080356394,3.14789717,2.359935319,4.338528573,0.83840995,3.224442391,3.228337687,3.497879681,9.887623472,1.883384873,3.056374894,1.563542795,0.159719705,1.99E-19,5.17E-59,2.60E-120,2.51E-203,4.69E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290510157,3.355246454,0.30032813,3.453836287,0.068989824,0.115949819,0.01648176,0.016570317,2.22E-20,5.78E-60,2.90E-121,2.81E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.81835312,3.119019887,0.72417378,4.105063624,0.177692025,0.41970631,0.120990106,0.029454953,3.85E-20,1.00E-59,5.03E-121,4.87E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.266568655,3.354876731,3.780347879,9.642362681,1.702170816,2.780255982,1.411428362,0.196137426,2.50E-19,6.50E-59,3.26E-120,3.16E-203,5.89E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.139201109,3.029259643,0.941304826,4.673280019,0.330006215,0.716651796,0.25109004,0.030229649,3.81E-20,9.92E-60,4.98E-121,4.82E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.074611356,3.30855682,4.758304456,12.46711971,2.719218591,4.219097229,2.280176567,0.233246253,2.91E-19,7.56E-59,3.79E-120,3.67E-203,6.85E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.029534004,3.5637013,4.192285817,8.245402508,0.823038935,1.431948665,0.622124614,0.307362039,4.09E-19,1.06E-58,5.34E-120,5.17E-203,9.64E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.717650828,1.330743151,0.532917763,0.479614999,0.371579814,0.489665089,0.470013718,0.403402704,3.581311742,3.910295374,8.709724998,0.27679222,1.363081512,1.814206572,0.739375104,0.144880377,0.672311315,0.273998704,0.598891541,0.151810169,0.029692784,2.698462052,1.711343048,4.60414462,0.508466973,0.780394495,1.53548206,1.044634718,0.314866623,0.530394081,0.360843077,0.408940468,0.297255016,0.143009104,2.894983401,2.416410525,5.816445616,0.336855737,0.849204588,1.779086881,1.296677832,0.511992006,0.495877235,0.361417435,0.530991562,0.450440279,0.37051687,3.587756719,3.881669465,8.650541831,0.285942005,1.351948712,1.482617035,1.163829847,0.392956045,0.487798778,0.382913972,0.367461028,0.361230219,0.224140046,3.039402927,2.765451257,6.482905324,0.306069125,0.952831293,1.762423391,1.357443506,0.555637128,0.479505227,0.36932173,0.515392247,0.48907746,0.436773037,3.675504024,4.125904068,9.130708903,0.273240436,1.441242744,1.778451708,1.300962438,0.51303564,0.495052628,0.36213796,0.529739673,0.452957425,0.371928684,3.592449786,3.893548076,8.673007842,0.285785883,1.354625782 +UMLRON0014,L,2-methylpropan-1-ol,CC(C)CO,6560,"""2-methyl-1-propanol""; [5] had 106.5 / 120.7 for RON / BRON","Sandia, UML","[5], [6]",C4H10O,PubChem,,105,0,-0.6961,0.48455521,20.6715,14.50993,0,0,15,5,10,0,4,0,1,0,0,0,0,0,0,0,843.185125,750.047136,853.487804,562.433806,147.355488,12.192768,0,0,0,2221.295828,2687.923385,3243.668662,2771.42227,1484.369629,373.0049332,0,0,0,110.69842,106.185288,184.178432,223.84576,172.295424,80.621568,0,0,0,16.24493305,20.26270678,26.37961435,24.3864222,15.6236948,5.335354858,0,0,0,2541.80523,2097.013603,4030.47633,5109.418917,4216.257792,2219.011824,0,0,0,58.02777778,38,59.66666667,76,46,12,0,0,0,56.21234167,53.57479543,34.13951216,18.74779353,6.139812,1.016064,0,0,0,148.0863886,191.9945275,129.7467465,92.38074234,61.84873452,31.08374443,0,0,0,7.379894667,7.584663429,7.36713728,7.461525333,7.178976,6.718464,0,0,0,1.082995537,1.447336198,1.055184574,0.81288074,0.650987283,0.444612905,0,0,0,169.453682,149.7866859,161.2190532,170.3139639,175.677408,184.917652,0,0,0,3.868518519,2.714285714,2.386666667,2.533333333,1.916666667,1,0,0,0,0.216197349,-0.110450613,0.014042513,-0.020379061,-0.011179857,0.019868345,0,0,0,476.9038497,-65.66428988,-40.39439656,-209.5424144,-108.5230378,185.6722138,0,0,0,665.1575892,-80.97945498,-184.885512,-221.2917839,-100.4615036,255.0394598,0,0,0,1.034995733,-0.103350151,0.003652711,-0.3913104,-0.17665984,0.150169813,0,0,0,2.896898448,-0.288018268,-1.187267327,-0.672028437,-0.218798891,0.917663699,0,0,0,16.06108614,-1.477481838,-7.083971123,-3.258856276,-0.85579307,4.645559237,0,0,0,23.27037037,-4.656049383,1.399382716,-6.707407407,-4.943703704,3.272592593,0,0,0,0.014413157,-0.00788933,5.62E-04,-6.79E-04,-4.66E-04,0.001655695,0,0,0,31.79358998,-4.69030642,-1.615775862,-6.984747147,-4.521793243,15.47268448,0,0,0,44.34383928,-5.784246784,-7.395420478,-7.376392796,-4.185895982,21.25328832,0,0,0,0.068999716,-0.007382154,1.46E-04,-0.01304368,-0.007360827,0.012514151,0,0,0,0.193126563,-0.020572733,-0.047490693,-0.022400948,-0.00911662,0.076471975,0,0,0,1.070739076,-0.105534417,-0.283358845,-0.108628543,-0.035658045,0.387129936,0,0,0,1.551358025,-0.332574956,0.055975309,-0.223580247,-0.205987654,0.272716049,0,0,0,-0.54737,0.038971374,-0.047130692,-0.032319596,0.114873891,0,0,0,-0.147523649,-0.050820806,-0.21969042,-0.142223424,0.486660503,0,0,0,-0.130440821,-0.166774474,-0.16634538,-0.094396337,0.479283902,0,0,0,-0.106988175,0.002117522,-0.18903962,-0.106679087,0.181365257,0,0,0,-0.106524618,-0.245904511,-0.115991024,-0.04720542,0.395968186,0,0,0,-0.098562217,-0.264638558,-0.101451927,-0.033302273,0.361553944,0,0,0,-0.214376663,0.03608149,-0.144119051,-0.132778927,0.175791819,0,0,0,1.43035073,0.70655142,1.266688712,1.079658356,0.283236866,0,0,0,1.394650417,1.074663198,1.209116159,0.930617893,0,0,0,0,1.611680217,1.296114319,1.027155369,0.800789914,0,0,0,0,1.046261318,0.834614455,1.516010114,1.000278198,0,0,0,0,1.696559902,1.411999962,0.9597445,0.714826138,0,0,0,0,1.704790797,1.432823488,0.954436546,0.694968552,0,0,0,0,1.162661149,0.801496101,1.467292695,1.027773357,0,0,0,0,13.95727422,7.103637112,10.86839614,14.10727422,2.821454845,7.105467187,0.25,0.088634171,0.017726834,-1.211618907,12.02410053,2.404820107,1.243456507,13.96008042,7.104673002,10.86965688,14.10963977,2.821927954,7.106500759,0.249265579,0.088565092,0.017713018,-1.212008747,12.0245071,2.404901419,1.243473413,16.47296295,8.036984237,12.20123322,16.23356627,3.246713253,8.037626883,-0.398994478,0.007800936,0.001560187,-2.426755769,15.48900389,3.097800777,1.370065173,13.96302567,7.105760236,10.87098041,14.11212255,2.82242451,7.107585566,0.2484948,0.088492526,0.017698505,-1.212418591,12.02493652,2.404987304,1.243491268,19.17311377,9.045409753,14.34158528,18.52373721,3.704747442,9.045637456,-1.082294264,0.141240331,0.028248066,-0.978646182,39.82646776,7.965293552,1.842265855,14.25158417,7.212359177,11.00239717,14.35546468,2.871092936,7.213964287,0.173134186,0.081047336,0.016209467,-1.25636095,12.08200119,2.416400237,1.24585842,15.0401872,7.813496377,12.45650458,15.39227053,3.078454106,7.814499466,0.586805556,0.120383667,0.024076733,-1.058535705,10.50811491,2.101622982,1.176073904,0,11.99646149,15.99794197,-0.418509322,0.077316056,4.261214377,6.232414071,4,14,14,14,4,0,0,0,0,0,10.93207,3.406798357,2.722975579,2.128007932,1.671412949,0.90425604,0.083923071,0.083923071,0.083923071,1.806936722,1.43187136,0.926196404,0.625057667,0.291744378,0.083923071,0.083923071,0.083923071,3.392535403,2.751266105,2.041205534,1.631836288,0.970331034,0.270913902,0.270913902,0.270913902,1.764034962,1.342889421,0.856704028,0.594678824,0.159498515,0.270913902,0.270913902,0.270913902,3.557555677,2.998025645,2.453877466,2.108977355,1.518705925,0.943918427,0.943918427,0.943918427,1.547889465,1.025235221,0.404631057,0.047733341,0.438601933,0.943918427,0.943918427,0.943918427,3.404000376,2.785438649,2.065986553,1.639664584,1.034664133,0.399277246,0.399277246,0.399277246,1.738102188,1.285876764,0.824940138,0.543957244,0.060252212,0.399277246,0.399277246,0.399277246,3.610874584,3.099703924,2.554771637,2.244894115,1.720995423,1.207644823,1.207644823,1.207644823,1.493369699,0.925753364,0.282706625,0.080863695,0.637336497,1.207644823,1.207644823,1.207644823,4.223225424,3.200918032,2.835524336,2.02022972,1.27661878,0.585365854,0.585365854,0.585365854,1.638663751,1.111960346,0.556513662,0.114915916,0.304561772,0.585365854,0.585365854,0.585365854,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.182574186,0,0,0,0.40824829,0,0,0.182574186,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.731670646,1.950904231,1.257269657,0.590822476,0,0,0,0,0.746334129,0.487726058,0.314317414,0.295411238,0,0,0,0,7.423938123,14.76984705,13.97647059,14.2,8.473011976,116.5531018,0.494929208,0.98465647,0.931764706,0.946666667,0.564867465,7.770206786,0.7772,21.9718,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.665277778,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0.665277778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.334722222,0,0,0,0,0,0,0,0,0,0,0,3.726851852,0,0.861111111,0,0,0,-0.115740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.665277778,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0.665277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.777777778,0,0.861111111,0,0,0,-0.115740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.665277778,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0.665277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.949074074,0,0.861111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.83333333,2.566666667,0.665277778,8.361111111,0.2625,-0.115740741,1.975865741,1.449074074,2.361111111,4.722222222,1.449074074,2.361111111,4.722222222,2.33333,0.46667,0,0.03333,0.48444,0.85333,0.41765,0.48444,0.76111,0.0668,0,-0.0668,0.09222,0.54687,0.16742,0,0.57143,0.21429,0,2.25,0.45,2.25,0.45,0,0,-2.25,-0.45,0,0,3.72133,0.74427,4.43249,0.71116,0.14223,1.97593,0.39519,2.27005,0.29412,0.05882,0.14395,0.02879,0.14395,0.02879,0,4.01,1,1,1,1,1,1,1,1.158938532,1.871602261,2.739572262,3.139572262,2.618653516,1.189230611,17.38407799,28.07403392,41.09358393,47.09358393,39.27980274,17.83845916,0.296639618,0.479051618,0.701215505,0.803598715,0.670265382,0.304393118,2.747952063,2.035288334,1.167318334,0.767318334,1.28823708,2.717659985,0.304394667,0.491575464,0.719547381,0.824607195,0.687788128,0.312350867,10.66110191,15.77621224,18.11659746,18.51972748,12.26870252,1.198536379,18.1875248,14.100286,12.80341694,12.41710322,9.291590746,3.046773087,5,2.25,4,5,0,4,1.79,0.7309,0.333333333,1.414213562,1.414213562,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,2.392,4,2,0,0,0,0,0,0,0,15,1.609437912,1.609437912,1.098612289,0,0,0,0,0,0,0,2.772588722,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,4,1,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,20.23,86.5306239,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,74.07316494,4.938210996,8.696801932,1.739360386,2.31305253,2.31305253,0,18,2,0.742,16,1.209285714,2.097101499,2.82652275,3.401164822,4.232203289,0,0,0,0,0,76.07321488,80.86255987,58.266298,22.49122298,4.300189402,0,0,0,0,0,256.146358,292.5833566,275.6434627,224.1790861,131.5527254,0,0,0,0,0,9.195663069,15.56027504,21.16892491,24.41564145,28.43390544,0,0,0,0,0,1.87702597,2.32167468,2.380552895,2.333127416,1.881692198,0,0,0,0,0,178.755922,334.8392997,479.3305014,591.7291572,782.6090951,0,0,0,0,0,3.337380952,5.298146944,7.354136318,6.566558523,4.232203289,0,0,0,0,0,0.417144579,0.540168048,0.577137006,0.550550239,0.433377617,0,0,0,0,0,301.7784451,158.3469278,12.59980758,160.2987343,-84.11075251,-18.70397793,141.4797107,242.4576803,31.30378551,0.653090995,0.342685021,0.027267756,0.346909005,-0.182027497,-0.040478039,139.4449327,73.16850175,5.822083545,74.07038701,-38.86565927,-8.642681366,0.400419514,0.748528913,8.424052934,24.34430363,408.516248,53.56093134,0.884086612,0.115913388,283.9246063,16.8500625,6.572556742,389.1388631,19.72660293,7.300762184,430.7077729,20.75350026,7.551981252,1.513523352,1.361667188,180.7975766,139.8094598,62.05453681,1.29317127,2.91352713,2.253009481,3.139592126,3.220194404,5.261228039,0.633823111,3.224442391,3.228329692,2.592676891,8.023664815,4.911344299,2.248925578,1.472387121,6.656961858,1.281184098,0.006683872,3.96E-24,4.53E-67,9.99E-132,4.25E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290510157,3.355246397,0.203860181,3.160629,0.316016118,0.027887081,0.166677106,0.321129024,0.009023484,4.71E-05,2.79E-26,3.19E-69,7.04E-134,2.99E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.81835312,3.119019301,0.575860519,3.322457465,0.68716383,0.179060677,0.397212188,1.193167919,0.094031664,4.91E-04,2.91E-25,3.32E-68,7.33E-133,3.12E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.266568655,3.354869608,2.61743121,8.137299549,4.62818452,2.045346434,1.410589552,6.120066074,1.141511966,0.00595521,3.53E-24,4.04E-67,8.90E-132,3.79E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.139201109,3.029258368,0.811829706,3.606855395,1.078676245,0.362599447,0.558326504,1.916870058,0.20424934,0.001065558,6.32E-25,7.22E-68,1.59E-132,6.77E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.074611356,3.308545161,3.386567541,10.19148845,6.878376059,3.27967939,1.837891453,8.814047031,1.8684866,0.0097478,5.78E-24,6.61E-67,1.46E-131,6.20E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.029533971,3.540884206,2.192905703,8.410368849,3.16451183,0.965650126,1.105155947,3.503329126,0.439001809,0.00229025,1.36E-24,1.55E-67,3.42E-132,1.46E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.613462592,0.813613763,0.534317788,0.659733038,0.205385714,0.530515717,0.398155388,0.403849047,3.961394142,3.95749699,9.055037298,0.489599557,1.332520152,1.762460539,0.749540115,0.142294487,0.664003227,0.28238763,0.250926653,0.331690678,0.029558274,2.654295141,1.678478721,4.520749842,0.49600484,0.612175604,2.216960505,0.650193071,0.313822327,0.696943508,0.204400502,0.382445156,0.262814174,0.14596762,3.180975904,2.341229169,5.974565007,0.545415262,0.79122695,2.539335226,0.851564181,0.513116462,0.65044183,0.218125184,0.500824982,0.43674094,0.372432181,3.904015869,3.902333229,8.915915687,0.475662745,1.309998103,2.408582853,0.634842033,0.392865987,0.700925196,0.184746302,0.450638735,0.251766677,0.229887696,3.436290873,2.724727756,6.76173808,0.551387794,0.932293108,2.644000594,0.847317398,0.557085551,0.653097095,0.209296674,0.543002507,0.429882211,0.435730318,4.048403544,4.185270512,9.481717108,0.479645643,1.408615036,2.553385489,0.849258958,0.514136647,0.651909164,0.21682574,0.506369371,0.434125986,0.373432631,3.916781094,3.917909706,8.949588664,0.477863746,1.313927987 +UMLRON0015,L,2-butanol,CCC(C)O,6568,,"Sandia, UML",[9],C4H10O,PubChem,,107,0,-0.1678,0.02815684,21.2183,13.176344,0,0,13,5,8,0,4,0,1,0,0,0,0,0,0,0,841.152997,721.813056,801.039548,520.016158,127.119888,9.144576,0,0,0,2159.128339,2491.173138,2817.445182,2240.709955,1120.963057,279.7536999,0,0,0,97.261492,89.596488,153.354368,162.18208,111.43008,60.466176,0,0,0,15.35570724,18.61439448,22.50421343,18.37811184,10.95324725,4.001516144,0,0,0,2171.969926,1758.706778,3385.92441,3540.545362,2583.794029,1664.258868,0,0,0,70.02777778,35.5,54.66666667,72.5,39,9,0,0,0,64.70407669,60.151088,38.14474038,24.76267419,8.4746592,1.016064,0,0,0,166.0867953,207.5977615,134.1640563,106.700474,74.73087045,31.08374443,0,0,0,7.481653231,7.466374,7.302588952,7.72295619,7.428672,6.718464,0,0,0,1.181208249,1.55119954,1.071629211,0.875148183,0.730216483,0.444612905,0,0,0,167.0746097,146.5588982,161.2344957,168.5973982,172.2529352,184.917652,0,0,0,5.386752137,2.958333333,2.603174603,3.452380952,2.6,1,0,0,0,0.116734907,-0.043719365,0.016018701,-0.016640793,-0.020549681,0.006523684,0,0,0,441.1976548,-41.78727394,69.51147299,-238.9624972,-194.75808,185.3975508,0,0,0,616.1115392,-93.79664945,-55.60441254,-213.0974229,-200.2194672,254.6621825,0,0,0,1.006116923,-6.21E-04,0.13220097,-0.503992568,-0.280593373,0.149947669,0,0,0,2.72042466,-0.468030278,-0.785752447,-0.499870012,-0.522865801,0.916306209,0,0,0,15.16770937,-2.625121323,-5.163715131,-2.13547618,-2.298229156,4.638687108,0,0,0,32.23076923,-1.225838264,4.037475345,-13.93688363,-9.464990138,4.474852071,0,0,0,0.008979608,-0.00364328,7.63E-04,-7.92E-04,-0.001369979,7.25E-04,0,0,0,33.93828114,-3.482272828,3.310070142,-11.37916654,-12.983872,20.59972786,0,0,0,47.39319532,-7.816387454,-2.647829169,-10.14749633,-13.34796448,28.29579805,0,0,0,0.077393609,-5.18E-05,0.006295284,-0.023999646,-0.018706225,0.016660852,0,0,0,0.209263435,-0.039002523,-0.037416783,-0.023803334,-0.03485772,0.101811801,0,0,0,1.166746874,-0.21876011,-0.245891197,-0.101689342,-0.153215277,0.515409679,0,0,0,2.479289941,-0.102153189,0.192260731,-0.663661125,-0.630999343,0.497205786,0,0,0,-0.405728217,0.084947504,-0.088246468,-0.152565536,0.080722209,0,0,0,-0.102606046,0.09753205,-0.335290007,-0.382573058,0.606976169,0,0,0,-0.164926366,-0.055869395,-0.214112939,-0.281643058,0.597043476,0,0,0,-6.69E-04,0.081341138,-0.31009855,-0.241702448,0.215274261,0,0,0,-0.18638002,-0.178802298,-0.113748175,-0.166573391,0.486524561,0,0,0,-0.187495776,-0.210749394,-0.087156301,-0.131318352,0.441749355,0,0,0,-0.041202599,0.077546691,-0.267681934,-0.254508088,0.200543622,0,0,0,1.062215437,0.681919935,1.593286668,1.163224051,0.002857259,0,0,0,1.115636275,0.804607552,1.365168907,1.269803936,0,0,0,0,1.489558193,1.075951506,1.044664406,1.03949117,0,0,0,0,0.504012991,0.535606025,1.889417436,1.401756762,0,0,0,0,1.618280118,1.215260987,0.934331327,0.895946666,0,0,0,0,1.624974654,1.239232173,0.928593153,0.86506482,0,0,0,0,0.548130469,0.537049665,1.853449256,1.414797136,0,0,0,0,12.77619957,6.513099786,10.22505772,12.92619957,2.585239914,6.516774527,0.25,0.1306296,0.02612592,-1.01769472,11.90914351,2.381828702,1.238653234,12.77777588,6.513520731,10.22558559,12.92733523,2.585467046,6.517193046,0.249265579,0.13061915,0.02612383,-1.017734719,11.90897455,2.38179491,1.23864614,14.1751531,6.888079312,10.73747523,13.93575642,2.787151283,6.890260255,-0.398994478,0.11840198,0.023680396,-1.066834918,12.03449998,2.406899996,1.243888762,12.77943025,6.513962525,10.22613968,12.92852713,2.585705426,6.517632296,0.2484948,0.130608178,0.026121636,-1.017776721,11.90879763,2.381759525,1.238638712,15.6579477,7.287826716,11.45798465,15.00857114,3.001714227,7.289195865,-1.082294264,0.090476734,0.018095347,-1.201331272,14.22786058,2.845572117,1.327601028,12.94127396,6.557204073,10.28080082,13.04515447,2.609030894,6.560636876,0.173134186,0.129509581,0.025901916,-1.022000209,11.89363693,2.378727385,1.238001773,13.76630139,7.005248527,11.2898956,13.9028887,2.780577739,7.007901847,0.682936508,0.169182504,0.033836501,-0.888388621,10.79525804,2.159051608,1.189553484,0,11.89,15.99491564,-0.299501627,0.190864822,3.800872342,5.916761187,4,12,11,11,3,1,1,0,0,1,9.703656,3.481460676,2.739456945,2.081809984,1.560661502,0.083923071,0.083923071,0.083923071,0.083923071,1.77759456,1.418816429,0.878342149,0.204837785,0.083923071,0.083923071,0.083923071,0.083923071,3.424539498,2.758788548,2.026000513,1.518530057,0.270913902,0.270913902,0.270913902,0.270913902,1.750226965,1.333860063,0.784330887,0.33189989,0.270913902,0.270913902,0.270913902,0.270913902,3.585319586,3.000262615,2.389565097,1.968602082,0.943918427,0.943918427,0.943918427,0.943918427,1.545897766,1.020838251,0.365028945,0.150433645,0.943918427,0.943918427,0.943918427,0.943918427,3.421895474,2.788547393,2.048278811,1.516985726,0.399277246,0.399277246,0.399277246,0.399277246,1.73687986,1.279168899,0.733906404,0.347680984,0.399277246,0.399277246,0.399277246,0.399277246,3.619308344,3.097070159,2.492306145,2.06826822,1.207644823,1.207644823,1.207644823,1.207644823,1.506092443,0.926061839,0.24808145,0.235603407,1.207644823,1.207644823,1.207644823,1.207644823,4.661176504,3.108505558,2.737414498,1.92553455,0.558139535,0.558139535,0.558139535,0.558139535,1.593937563,1.117178388,0.546550171,0.40643036,0.558139535,0.558139535,0.558139535,0.558139535,0,0,0,1,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.144337567,0,0,0,0.40824829,0,0,0.144337567,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.615355072,1.764784317,1.055568494,0.497890958,0,0,0,0,0.723071014,0.441196079,0.263892123,0.248945479,0,0,0,0,6.88211032,12.8820102,12.25098039,12.44,7.674457485,100.2675413,0.529393102,0.990923861,0.942383107,0.956923077,0.590342883,7.712887794,0.9854,20.972,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.707291667,0.802777778,0,0,0,0,0,0,0,0,0,0,3.43287037,0,0.666666667,0,0,0,0,0,0,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305902778,0.401388889,0,0,0,0,0,0,0,0,0,0,1.583333333,0,0.666666667,0,0,0,0,0,0,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,1.849537037,0,0.666666667,0,0,0,0,0,0,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.16666667,2.833333333,0.644097222,9.8125,0.305902778,0.25462963,1.768430556,1.412037037,2.8125,5.625,1.412037037,2.8125,5.625,2.33333,0.46667,0,0.03333,0.51282,0.85333,0.41765,0.51282,0.85333,0.09517,0,-0.09517,0,0.54687,0.16742,0,0.57143,0.21429,0,3.75,0.75,2.25,0.45,1.5,0.3,-0.75,-0.15,0,0,2.86751,0.5735,4.43249,1.56498,0.313,1.52767,0.30553,2.27005,0.74238,0.14848,0.14395,0.02879,0.14395,0.02879,0,4.01,1,1,1,1,0,0,0.75,1.238901257,1.854285872,2.81507241,2.81507241,2.091927838,0.514835639,16.10571634,24.10571634,36.59594133,36.59594133,27.1950619,6.692863305,0.334798389,0.501098792,0.760739973,0.760739973,0.565318718,0.139128233,2.461538462,1.846153846,0.885367308,0.885367308,1.60851188,3.185604079,0.334798389,0.501098792,0.760739973,0.760739973,0.565318718,0.139128233,11.26589917,18.65051456,19.61881928,19.61881928,10.94108442,0.518864244,18.28260559,12.5570933,12.86880152,12.86880152,11.02264767,3.089013833,5,2.25,4,5,1,4,1.79,0.6879,0.333333333,1.414213562,1.414213562,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,2.39,4,2,0,0,0,0,0,0,0,15,1.791759469,1.945910149,1.386294361,0,0,0,0,0,0,0,2.995732274,1.266666667,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,3,0.75,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,17.07,83.8941652,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,72.05751488,5.54288576,8.696801932,1.739360386,2.31305253,2.31305253,0,18,2,0.438,16,1.221083333,2.099772918,2.904872235,3.603141743,4.74351686,0,0,0,0,0,82.91991531,91.01101631,76.55742057,31.70819485,4.819716715,0,0,0,0,0,275.8751935,306.311941,326.4894081,286.2616583,147.4462658,0,0,0,0,0,9.14481753,15.46361024,22.47891371,26.52321,31.86914726,0,0,0,0,0,2.016443013,2.382180892,2.648824038,2.807975132,2.10902881,0,0,0,0,0,177.0345897,334.647534,487.0357992,611.6549473,877.1600002,0,0,0,0,0,3.679986111,5.863484892,10.10492466,8.874376746,4.74351686,0,0,0,0,0,0.439259375,0.551531963,0.656330969,0.666619237,0.485736127,0,0,0,0,0,331.5235352,120.5879334,8.305458331,122.7092591,-44.63410408,-18.67389915,208.814276,165.2220375,26.97935748,0.729853809,0.265476062,0.018284585,0.270146191,-0.098262619,-0.041110856,150.5888618,54.77499397,3.772611546,55.73856967,-20.27427382,-8.482297392,0.355480766,0.823365415,2.280595705,41.24593298,404.1384714,50.09432293,0.889716631,0.110283369,320.13246,17.89224581,6.840847421,397.6287486,19.9406306,7.353474524,470.7611015,21.69702978,7.779174677,1.43651594,1.283100829,177.1355082,134.5796116,52.62682671,1.316213549,3.365878569,2.557243519,3.066871681,3.18658557,5.271540682,0.654291268,2.244419464,2.932703488,2.207360848,4.226063592,2.385408512,1.056015733,1.193109647,4.906929998,1.465077131,0.010821517,1.80E-23,5.77E-66,3.57E-130,4.26E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.204852337,2.932605608,0.181229695,2.21010592,0.10907198,0.110377275,0.210262273,0.316762492,0.010318658,7.62E-05,1.27E-25,4.06E-68,2.51E-132,3.00E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.613910393,2.932494545,0.461673028,2.145306197,0.304568405,0.197894696,0.408314574,1.085173912,0.107528372,7.94E-04,1.32E-24,4.23E-67,2.62E-131,3.12E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.12365973,2.932751156,2.328760228,4.219365685,2.400525241,1.295298803,1.132032032,4.566299496,1.305357347,0.009641777,1.60E-23,5.14E-66,3.18E-130,3.79E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.897215541,2.932462367,0.61954906,2.251840068,0.45538232,0.204490751,0.545033703,1.662707166,0.233565993,0.001725191,2.87E-24,9.20E-67,5.69E-131,6.79E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.710484556,2.932820006,2.969799732,5.153673586,3.426321908,1.537066458,1.420283987,6.235829705,2.136677305,0.015782165,2.62E-23,8.41E-66,5.20E-130,6.21E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.351274107,2.689716864,2.472765171,4.372262362,2.154264068,2.141250433,0.813375032,2.67209786,0.456400447,0.003371116,5.60E-24,1.80E-66,1.11E-130,1.33E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.027551607,0.722277129,0.384336023,0.732324855,0.174709324,0.604534484,0.417786721,0.4615227,4.134164759,3.627925547,8.602529912,0.598487282,1.483843905,1.815366938,0.78205338,0.069845358,0.680609717,0.293204155,0.224879182,0.424963504,0.015242141,2.667265676,1.601131602,4.3675577,0.520914576,0.665084828,2.406592006,0.610115198,0.196681769,0.748926453,0.189866587,0.382640339,0.290662255,0.120864593,3.213388973,2.061629668,5.56380616,0.62338968,0.794167186,2.921986843,0.774761263,0.366104671,0.719195847,0.190693905,0.563154987,0.478054161,0.418775651,4.062852777,3.617238968,8.508894956,0.57879377,1.459984799,2.676125482,0.563137637,0.259944912,0.764780333,0.160932883,0.472423041,0.251879722,0.211122016,3.499208031,2.349056945,6.240008971,0.647170499,0.935424779,3.084448587,0.754783018,0.405757721,0.726609268,0.177805634,0.627475109,0.456679776,0.514404156,4.244989327,3.885887282,9.075516864,0.589913902,1.598559041,2.9230684,0.779276526,0.365313768,0.718612013,0.191578641,0.563573536,0.483600161,0.416968227,4.067658693,3.630396161,8.530195264,0.577918019,1.464141924 +UMLRON0016,L,2-Butanone,CCC(=O)C,6569,Not using Co-optima vals,"Sandia, UML",[9],C4H8O,PubChem,,105.3,0,1.1458,1.31285764,28.5356,19.895102,0,0,20,6,14,0,6,0,0,0,0,0,0,0,0,0,879.809622,890.819837,1095.705078,929.26378,321.052032,36.578304,0,0,0,2976.273833,3723.897138,4979.365438,5310.781543,3686.191126,1119.0148,0,0,0,139.301592,137.349428,253.98204,316.795792,372.377088,241.864704,0,0,0,22.95798067,29.53412034,42.11255244,48.11480844,40.06345059,16.00606457,0,0,0,3349.613265,2777.687448,5735.98382,7198.538237,9222.470706,6657.035473,0,0,0,33.55555556,39.11111111,57.33333333,77,78,36,0,0,0,43.9904811,46.88525458,30.43625217,20.65030622,5.945408,1.016064,0,0,0,148.8136916,195.9945862,138.3157066,118.0173676,68.26279863,31.08374443,0,0,0,6.9650796,7.228917263,7.055056667,7.039906489,6.895872,6.718464,0,0,0,1.147899033,1.554427386,1.169793123,1.069217965,0.741915752,0.444612905,0,0,0,167.4806632,146.1940762,159.3328839,159.9675164,170.7864946,184.917652,0,0,0,1.677777778,2.058479532,1.592592593,1.711111111,1.444444444,1,0,0,0,0.027594054,-0.007043022,0.002962385,-0.012271457,-0.016759411,0.019314479,0,0,0,508.4772378,-59.32234441,29.05584216,-332.9315247,-283.2944611,392.2538692,0,0,0,945.5351364,-110.3124326,54.03057923,-619.100387,-526.7981474,729.4128195,0,0,0,0.0996072,-0.01162084,0.00569184,-0.065219,-0.05549544,0.07683984,0,0,0,4.226981996,-0.4931479,0.241541828,-2.767666783,-2.355032827,3.260814683,0,0,0,22.96103329,-2.678787217,1.312059045,-15.03400989,-12.79257569,17.71279711,0,0,0,3.133333333,-1.876666667,1.093333333,-0.083333333,-2.66,1.96,0,0,0,0.001379703,-3.71E-04,8.23E-05,-2.73E-04,-3.10E-04,5.37E-04,0,0,0,25.42386189,-3.122228653,0.807106727,-7.398478328,-5.246193723,10.89594081,0,0,0,47.27675682,-5.805917504,1.500849423,-13.75778638,-9.755521249,20.26146721,0,0,0,0.00498036,-6.12E-04,1.58E-04,-0.001449311,-0.001027693,0.00213444,0,0,0,0.2113491,-0.025955153,0.006709495,-0.061503706,-0.043611719,0.090578186,0,0,0,1.148051665,-0.140988801,0.036446085,-0.334089109,-0.23689955,0.492022142,0,0,0,0.156666667,-0.09877193,0.03037037,-0.001851852,-0.049259259,0.054444444,0,0,0,-0.268670478,0.059642171,-0.197650581,-0.224946633,0.388861534,0,0,0,-0.122807018,0.031746032,-0.291005291,-0.206349206,0.428571429,0,0,0,-0.122807018,0.031746032,-0.291005291,-0.206349206,0.428571429,0,0,0,-0.122807018,0.031746032,-0.291005291,-0.206349206,0.428571429,0,0,0,-0.122807018,0.031746032,-0.291005291,-0.206349206,0.428571429,0,0,0,-0.122807018,0.031746032,-0.291005291,-0.206349206,0.428571429,0,0,0,-0.630459127,0.193853428,-0.011820331,-0.314420804,0.34751773,0,0,0,1.809873071,0.956540033,1.346942481,1.121565904,0,0,0,0,1.666666667,1.130952381,1.407407407,1.005291005,0,0,0,0,1.666666667,1.130952381,1.407407407,1.005291005,0,0,0,0,1.666666667,1.130952381,1.407407407,1.005291005,0,0,0,0,1.666666667,1.130952381,1.407407407,1.005291005,0,0,0,0,1.666666667,1.130952381,1.407407407,1.005291005,0,0,0,0,2.234042553,0.617612293,1.1678487,1.34751773,0,0,0,0,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,27.43671497,13.60724638,20.69276325,27.28856682,4.548094471,13.6072487,-0.222222222,0,0,0,13.73763424,2.289605707,1.572083455,0,11.89,12.11007471,-0.163517376,0.057321995,5.749051625,7.648565496,5,19,19,19,5,0,0,0,0,0,15.304898,3.512766786,2.871866666,2.333552793,2.333552793,1.491291468,0.839455485,0.083923071,0.083923071,1.914834965,1.536478099,1.249629723,1.249629723,0.628641045,0.299734013,0.083923071,0.083923071,3.539373167,2.91948901,2.405454588,2.405454588,1.584452965,0.969374948,0.270913902,0.270913902,1.85520549,1.445894467,1.134540686,1.134540686,0.491830665,0.136103862,0.270913902,0.270913902,3.657377608,3.125257702,2.704236987,2.704236987,1.965177229,1.478968236,0.943918427,0.943918427,1.681111762,1.165396028,0.76031856,0.76031856,0.035277323,0.430678044,0.943918427,0.943918427,3.559031887,2.954421258,2.457539916,2.457539916,1.651626284,1.061748034,0.399277246,0.399277246,1.817335127,1.386951568,1.058262671,1.058262671,0.400279674,0.025152113,0.399277246,0.399277246,3.715368235,3.222531966,2.838982085,2.838982085,2.13284465,1.693474229,1.207644823,1.207644823,1.627333109,1.073816082,0.631337262,0.631337262,0.12661656,0.640892843,1.207644823,1.207644823,3.526659613,3.033678287,2.598486893,2.598486893,1.687769814,1.13070709,0.5625,0.5625,1.836166495,1.291912864,0.910986893,0.910986893,0.328218881,0.077483438,0.5625,0.5625,0,0,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0.666666667,0,0.333333333,0,0.666666667,0,0.333333333,0,1.333333333,0,0,1.333333333,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,9.792794627,19.21485798,18.07843137,18.32,11.58988144,154.455091,0.489639731,0.960742899,0.903921569,0.916,0.579494072,7.722754551,2.2984,29.676,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,8.962962963,0,0,0,0,0,1.703703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.240740741,0,0,0,0,0,0.851851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.240740741,0,0,0,0,0,0.851851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.66666667,1.777777778,0.2,2.240740741,0.2,0.851851852,4.596074074,0.481481481,0.240740741,1.925925926,0.481481481,0.240740741,1.925925926,3,0.5,0,0,0.42,0.7,0.42,0.42,0.7,0,0,0,0,0.71429,0,0,0.66667,0.33333,0,2.5,0.41667,2.5,0.41667,0,0,-2.5,-0.41667,0,0,6.13075,1.02179,6.13075,0,0,2.64272,0.44045,2.64272,0,0,0.27128,0.04521,0.27128,0.04521,0,5,0,0,0,0,0,0,1,0.881290899,1.156779649,1.570950594,1.570950594,1.238757785,0.442179356,17.62581798,23.13559299,31.41901189,31.41901189,24.7751557,8.84358713,0.203911514,0.267653608,0.363483742,0.363483742,0.286621563,0.102310669,3.440637196,3.165148445,2.7509775,2.7509775,3.08317031,3.879748738,0.207463733,0.27231624,0.369815772,0.369815772,0.291614624,0.104092962,6.616095946,9.921960949,10.33937279,10.33937279,6.353059081,0.445639424,23.80204551,20.17438566,21.10210647,21.10210647,17.11579275,5.306152278,6,2.222222222,3,6,0,4,2.12,0.954,2.289428485,0,5.656854249,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,2.312,6,4,0,0,0,0,0,0,0,21,1.791759469,1.945910149,1.609437912,0,0,0,0,0,0,0,3.091042453,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,5,1,0,2,3,0.5,2,0.888888889,0,0,0,0,0,0,0,0,0.4,0.148148148,0,0,0,0,0,0,0,0,0.548148148,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,0,112.3323665,3.584962501,3.135494216,3.761200116,4.465908119,5.141663557,5.837730447,6.52649486,7.220373837,7.912423121,8.605753368,63.60704164,2.397895273,0,3.555348061,0,4.875197323,0,6.244166901,0,7.626082758,7.917536354,86.10955045,4.305477522,10.52364588,1.75394098,0,0,0,29,4,3.632,22,1.220894737,2.102277173,2.89859324,3.47334354,4.115165053,0,0,0,0,0,67.74862772,73.47135818,66.05620195,22.07028228,4.181271064,0,0,0,0,0,263.8372191,318.2040354,359.7349777,247.8091267,127.9147388,0,0,0,0,0,8.859366903,14.89518524,20.44560421,24.00283269,27.64758826,0,0,0,0,0,2.030985313,2.627636527,3.206787562,2.662562765,1.829655488,0,0,0,0,0,176.3944505,330.3755672,460.8234501,589.1298589,760.9666592,0,0,0,0,0,2.559625731,3.497124995,5.089937611,5.145068617,4.115165053,0,0,0,0,0,0.422269342,0.554342331,0.68472227,0.585699749,0.421392901,0,0,0,0,0,341.5644253,115.1736308,8.129582118,112.4603776,-37.92101593,-6.373387515,229.1040477,153.0946467,14.50296963,0.752303449,0.253672553,0.01790559,0.247696551,-0.083521904,-0.014037532,155.0787209,52.29168502,3.691031919,51.05980078,-17.21708178,-2.89367601,0.087844528,0.184849795,1.476908679,9.07452503,454.0248029,0,1,0,310.4078457,17.6183951,6.770866172,446.0263509,21.11933595,7.640471717,503.5591896,22.44012455,7.95579362,1.095700112,1.095700112,255.679439,164.7124546,118.6666439,1.55227751,2.154602428,1.388026569,3.532260473,3.220218461,5.261260744,0.633821061,3.904607748,4.742636052,2.408522585,18.69618632,4.510970233,1.635278887,6.001064432,13.31635606,3.754449779,0.01337715,7.94E-24,9.09E-67,2.01E-131,8.55E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,4.742376457,0.139023705,6.586708969,1.027368117,0.01558003,0.497688558,0.642336396,0.026442897,9.42E-05,5.59E-26,6.40E-69,1.41E-133,6.03E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,4.742394355,0.490368403,8.371590147,1.27629144,0.130407557,1.412112496,2.386671638,0.275555372,9.82E-04,5.83E-25,6.67E-68,1.47E-132,6.28E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,4.742607746,2.229996002,17.71184279,4.134211783,1.4597836,5.59023834,12.24234147,3.34514716,0.0119188,7.08E-24,8.10E-67,1.79E-131,7.62E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,4.74241706,0.764783446,9.800816279,1.584392628,0.273304842,2.101872218,3.834318875,0.59854309,0.002132616,1.27E-24,1.45E-67,3.20E-132,1.36E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,4.742754953,3.114477054,22.61668698,6.091573284,2.371735558,7.606091609,17.63144173,5.475512154,0.019509317,1.16E-23,1.33E-66,2.93E-131,1.25E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.35322342,3.734703825,0.984485015,11.91723254,2.396995125,0.533363303,3.389934893,6.470975941,1.187931375,0.004232614,2.51E-24,2.88E-67,6.35E-132,2.71E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.353508434,1.82696324,0.547657828,0.497767338,0.386402961,0.595617779,0.646277336,0.461231332,4.728129502,6.58924143,13.67217549,0.326255448,1.703126448,1.751870811,1.217133898,0.160766133,0.559744115,0.388889142,0.332177479,0.286837563,0.040820821,3.129770842,2.609576755,6.082143008,0.422949886,0.659835863,2.002531867,1.471359938,0.3222038,0.527524087,0.38759823,0.432713285,0.419176727,0.162096932,3.796095606,4.065746306,8.81119774,0.372683475,1.013986944,2.339742386,1.813022796,0.538826507,0.498709722,0.386440875,0.58874169,0.636452266,0.446733762,4.691591689,6.47962624,13.45692336,0.327725895,1.671927718,2.109123706,1.579398549,0.390741833,0.517035343,0.387177323,0.479456928,0.482995158,0.237266936,4.079264088,4.772406869,10.15328941,0.356318998,1.199719023,2.39626597,1.870259062,0.575082531,0.494931888,0.386288859,0.617228405,0.677271566,0.507676046,4.841607563,6.935242158,14.35416153,0.32183112,1.802176018,2.345528543,1.818407862,0.538649062,0.498774251,0.386682576,0.591554415,0.640238681,0.446069402,4.702585468,6.508027983,13.5080204,0.32818524,1.677862498 +UMLRON0017,L,"2,3-Dimethylbutane",CC(C)C(C)C,6589,,"Sandia, UML",[9],C6H14,PubChem,,104.3,0,1.5162,2.29886244,44.5386,28.268688,0,0,26,10,16,0,10,0,0,0,0,0,0,0,0,0,1458.898234,1780.618739,2622.07984,2464.702309,1324.899917,331.212672,27.433728,0,0,4732.508928,6494.471781,9986.607026,11261.74726,8567.052789,3997.02857,839.2610996,0,0,182.900584,196.827788,372.49216,493.420756,600.65906,439.561728,181.398528,0,0,35.00280648,48.49460896,77.3517497,93.26273012,81.39792133,44.50957963,12.00454843,0,0,4226.625993,3844.69868,7890.867563,10477.55014,14117.93169,11071.64723,4992.776605,0,0,44.39583333,54.88888889,88.86111111,121.8888889,130,86,27,0,0,56.11147054,65.94884219,50.42461231,35.72032332,15.40581299,5.175198,1.016064,0,0,182.0195742,240.5359919,192.0501351,163.2137285,99.61689289,62.45357141,31.08374443,0,0,7.034637846,7.289918074,7.163310769,7.151025449,6.984407674,6.868152,6.718464,0,0,1.346261788,1.796096628,1.487533648,1.35163377,0.946487457,0.695462182,0.444612905,0,0,162.5625382,142.3962474,151.7474531,151.8485527,164.1619964,172.9944879,184.917652,0,0,1.707532051,2.032921811,1.708867521,1.766505636,1.511627907,1.34375,1,0,0,0.040369169,-0.002397782,0.001990696,-0.021184549,-0.013804492,-0.007026008,0.022237551,0,0,745.0215938,45.8474827,214.1937082,-636.1338224,-508.6205112,28.65467669,483.5476691,0,0,1385.399467,85.25535183,398.3023469,-1182.918007,-945.8015594,53.2845949,899.1775389,0,0,0.145944615,0.008981207,0.041959077,-0.124614249,-0.099635266,0.005613254,0.094723669,0,0,6.193380214,0.38113109,1.780596812,-5.288193875,-4.228173031,0.238206931,4.019741966,0,0,33.64253962,2.070310131,9.672230141,-28.72555306,-22.96750301,1.293943832,21.83530216,0,0,3.562232906,-1.292457676,1.241185897,-1.796833909,-0.196766108,-1.467291256,1.731046598,0,0,0.00155266,-8.88E-05,3.83E-05,-3.07E-04,-1.61E-04,-1.10E-04,8.24E-04,0,0,28.65467669,1.698054915,4.119109774,-9.21933076,-5.914191991,0.447729323,17.90917293,0,0,53.2845949,3.157605624,7.659660516,-17.14373923,-10.99769255,0.832571795,33.30287181,0,0,0.005613254,3.33E-04,8.07E-04,-0.001806004,-0.00115855,8.77E-05,0.003508284,0,0,0.238206931,0.014115966,0.034242246,-0.076640491,-0.049164803,0.003721983,0.148879332,0,0,1.293943832,0.076678153,0.186004426,-0.416312363,-0.267063988,0.020217872,0.808714895,0,0,0.137008958,-0.047868803,0.02386896,-0.026041071,-0.002287978,-0.022926426,0.064112837,0,0,-0.057196494,0.024656137,-0.197739611,-0.103382141,-0.070705337,0.53045278,0,0,0.059259259,0.14375,-0.32173913,-0.206395349,0.015625,0.625,0,0,0.059259259,0.14375,-0.32173913,-0.206395349,0.015625,0.625,0,0,0.059259259,0.14375,-0.32173913,-0.206395349,0.015625,0.625,0,0,0.059259259,0.14375,-0.32173913,-0.206395349,0.015625,0.625,0,0,0.059259259,0.14375,-0.32173913,-0.206395349,0.015625,0.625,0,0,-0.349384475,0.174214591,-0.190068383,-0.016699477,-0.167335233,0.467946315,0,0,1.266440244,1.00759,1.304642559,1.025095651,0.906761576,0.081486295,0,0,1.203703704,0.9765625,1.413043478,1.110101744,0.76171875,0,0,0,1.203703704,0.9765625,1.413043478,1.110101744,0.76171875,0,0,0,1.203703704,0.9765625,1.413043478,1.110101744,0.76171875,0,0,0,1.203703704,0.9765625,1.413043478,1.110101744,0.76171875,0,0,0,1.203703704,0.9765625,1.413043478,1.110101744,0.76171875,0,0,0,1.693145496,0.664973382,1.290460341,0.939596262,1.169678338,0,0,0,39.92381683,19.7199784,27.4566027,39.92381683,3.992381683,19.71997841,7.11E-15,0.035593646,0.003559365,-3.335588142,145.9385937,14.59385937,4.983185942,39.92381683,19.7199784,27.4566027,39.92381683,3.992381683,19.71997841,7.11E-15,0.035593646,0.003559365,-3.335588142,145.9385937,14.59385937,4.983185942,39.92381683,19.7199784,27.4566027,39.92381683,3.992381683,19.71997841,7.11E-15,0.035593646,0.003559365,-3.335588142,145.9385937,14.59385937,4.983185942,39.92381683,19.7199784,27.4566027,39.92381683,3.992381683,19.71997841,7.11E-15,0.035593646,0.003559365,-3.335588142,145.9385937,14.59385937,4.983185942,39.92381683,19.7199784,27.4566027,39.92381683,3.992381683,19.71997841,7.11E-15,0.035593646,0.003559365,-3.335588142,145.9385937,14.59385937,4.983185942,39.92381683,19.7199784,27.4566027,39.92381683,3.992381683,19.71997841,7.11E-15,0.035593646,0.003559365,-3.335588142,145.9385937,14.59385937,4.983185942,49.21758221,24.40758742,35.12811696,49.01541554,4.901541554,24.40758742,-0.336944444,0.180684635,0.018068463,-1.711002116,74.02027556,7.402027556,4.30433905,0,11.89,12.11015511,-0.153423378,0.069300431,6.577301475,9.816076602,11,27,26,26,10,1,1,0,0,1,17.491312,3.902054326,3.173607675,2.749668339,2.564276873,2.333552793,2.073444367,1.41256801,1.159588096,2.125583559,1.606580886,1.395579907,1.249629723,1.224216765,0.851614291,0.522646307,0.421216994,3.915982867,3.198696865,2.792161841,2.609682838,2.405454588,2.133637739,1.498354552,1.260702385,2.090110827,1.536801694,1.302965327,1.134540686,1.131777154,0.750928313,0.383966589,0.269854356,3.978823716,3.317045018,2.984187961,2.809854116,2.704236987,2.384397441,1.860537895,1.682509344,1.991730114,1.34215039,1.023015111,0.849575875,0.76031856,0.431633738,0.071042959,0.239156422,3.926321627,3.217622245,2.823832491,2.643220977,2.457539916,2.177278648,1.560959119,1.334316387,2.068088436,1.493145015,1.24314831,1.071916453,1.058262671,0.684997995,0.291653469,0.168187656,4.010549246,3.379074996,3.07891581,2.906445494,2.838982085,2.498062194,2.02492274,1.869907755,1.962628007,1.285861395,0.935020674,0.759246798,0.631337262,0.323103363,0.228316303,0.419922508,3.882443634,3.317270111,2.902486447,2.688719384,2.662620106,2.259781596,1.620964365,1.415882367,2.119109829,1.367149078,1.134602198,1.005377287,0.85357488,0.580850686,0.184269599,0.032951857,0,0,0,1,1,3,2,2,1,0,0.11785113,0.387076975,0.759946456,1.178528219,0,0.11785113,0.377961159,0.667227585,0.926021831,1.40857456,0.166666667,0.648271461,0.151374715,1.323749909,0.166666667,0.589843002,0.142258898,3.260153798,4.31544863,4.893089478,2.971157092,3.617852564,3.767092819,7.353371151,4.621027034,4.915120116,4.203665235,3.059150443,2.048616017,1.145707649,0.340206909,0.735337115,0.420093367,0.273062229,0.168146609,0.109255373,0.068287201,0.05207762,0.034020691,7.14626437,4.2876937,4.49042209,3.744517166,2.541240381,1.579654691,0.844655444,0.240562612,0.714626437,0.389790336,0.249467894,0.149780687,0.090758585,0.052655156,0.038393429,0.024056261,14.33462243,25.10269483,23.80392157,24.08,16.38843593,197.7114299,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,2.92489,43.482,47.52016661,65.02412399,95.04033322,9.504033322,47.52016661,0.004736954,4.74E-04,-5.352360875,61.98482058,6.198482058,4.126889526,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,6,3,0,1,0,0,0,0,0,0,0,0,3,0,2,0,1,0,2,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.080439815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252916667,0,0,1.518611111,0.870833333,0,0.252916667,0,0,0,0,0,0,0,0,7.131412037,0,2.810185185,0,2.434606481,0,1.923564815,0,0,1.645833333,0,0,0.637731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.645833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252916667,0,0,0.225625,0.290277778,0,0.252916667,0,0,0,0,0,0,0,0,2.293449074,0,1.342592593,0,2.434606481,0,0.922453704,0,0,1.645833333,0,0,0.637731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.434606481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252916667,0,0,0.290277778,0.290277778,0,0.252916667,0,0,0,0,0,0,0,0,2.418981481,0,1.467592593,0,2.434606481,0,1.001111111,0,0,1.645833333,0,0,0.637731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.58333333,1.658333333,0.290277778,2.434606481,-0.005208333,0.637731481,5.858665833,0.612268519,0.434606481,3.132037037,0.612268519,0.434606481,3.132037037,5,0.5,0,0,0.45385,0.7,0.44286,0.44286,0.7,0.01099,0.01099,0,0,0.71429,0,0,0.3,0.3,0.1,6.5,0.65,5.5,0.55,1,0.1,-4.5,-0.45,0,0,10.96164,1.09616,12.14436,1.18272,0.11827,4.08466,0.40847,4.62101,0.53635,0.05364,0.29299,0.0293,0.37899,0.0379,0.269230769,31,0,0,0,0,0,0,0.8,0.961236605,2.369541298,3.690260391,3.690260391,3.690260391,3.613337314,24.99215172,61.60807374,95.94677017,95.94677017,95.94677017,93.94677017,0.204499294,0.50411056,0.785088335,0.785088335,0.785088335,0.768723254,3.739203113,2.330898421,1.010179327,1.010179327,1.010179327,1.087102404,0.199951246,0.49289918,0.767628031,0.767628031,0.767628031,0.751626908,6.796774065,21.41486027,22.74591403,22.74591403,22.74591403,21.82283711,38.70844392,19.14156354,17.78203736,17.78203736,17.78203736,19.02839415,6.694214876,1.777777778,0.7168,0,2,0,2.56,1.2574,0.944940787,2.94389819,4.112265279,2.080083823,1.650963624,5.853800636,1.310370697,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0.003,0.162,0.163,0.346,0.549,4.525,18,25,28,30,22,10,2,0,0,156,2.564949357,3.091042453,3.433987204,3.663561646,3.891820298,3.663561646,3.044522438,1.609437912,0,0,5.402677382,1.416666667,0.25,1,0,1,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,3,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.272727273,0,3,4,0.333333333,3.5,2.222222222,1.75,0.444444444,0,0,0,0,0,0,0.318181818,0.138888889,0.134615385,0.088888889,0,0,0,0,0,0,0.680574981,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,0,154.1669289,4.321928095,4.077537444,4.976733742,5.92157842,6.844815479,7.791109511,8.718500048,9.665293813,10.593555,11.5405309,91.12965436,3.135494216,0,4.634728988,0,6.385194399,0,8.219056661,0,10.08008442,10.25058175,136.1252005,5.235584635,19.92298566,1.992298566,0,0,0,102,13,4.177,58,1.273091135,2.199900578,3.052208135,3.70055507,4.424265193,5.044821881,0,0,0,0,96.55520465,122.6260429,114.0626222,60.57811174,23.26957246,5.1258619,0,0,0,0,335.6550961,454.3778494,512.4643935,382.8536487,279.125411,156.8119541,0,0,0,0,9.321036528,15.82470435,21.85849518,25.89463366,30.39995464,33.8934542,0,0,0,0,2.446278316,3.462407969,4.212504685,3.601557872,3.099413306,2.242992911,0,0,0,0,178.7739743,329.1639358,461.1715922,603.7671658,764.3038409,932.8766172,0,0,0,0,2.634374185,3.8987795,5.466656125,5.695355606,5.971311504,5.044821881,0,0,0,0,0.50355043,0.71950794,0.88643297,0.776170561,0.685965977,0.516589761,0,0,0,0,324.1764953,150.2662412,9.690821507,58.2429025,-26.99746022,-2.995276581,265.9335928,177.2637015,12.68609809,0.84769888,0.392935719,0.025340821,0.15230112,-0.070596472,-0.007832439,123.9713801,57.46472549,3.705958125,22.2732157,-10.32435248,-1.145451866,0.123339056,0.182220902,3.470667977,1.031508294,382.4193978,0,1,0,701.5830335,26.48741274,8.885728225,856.7879231,29.27093991,9.497831169,1326.574307,36.42216779,10.98779447,1.267190306,1.267190306,432.9616768,399.8347712,251.1185599,1.082851487,1.724132525,1.592215133,4.028890249,3.535499414,6.547554941,0.851946267,4.544113569,9.256989889,4.150684392,22.51325582,9.180196577,17.77165723,14.29998748,18.66298116,6.983673795,3.323965172,1.984403618,0.904838315,1.29E-09,4.01E-40,2.41E-92,2.79E-166,6.23E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,0.381398455,9.195245642,0.825316628,11.290933,0.953691985,1.763960646,1.237142698,0.884603224,1.050419802,0.121245927,0.021537255,0.00637285,9.07E-12,2.82E-42,1.69E-94,1.96E-168,4.38E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,1.231097356,9.199372115,1.295757657,13.02868104,2.141715074,4.33159559,3.057584704,3.199711371,1.521335225,0.495317192,0.165069511,0.066410013,9.45E-11,2.94E-41,1.77E-93,2.05E-167,4.57E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,4.289275132,9.250211124,3.873404881,21.63061174,8.502811981,16.54408414,13.20101576,17.1098093,6.358590168,3.028958301,1.773274052,0.806194648,1.15E-09,3.57E-40,2.14E-92,2.48E-166,5.55E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,1.814389013,9.20472176,1.68056037,14.38577803,3.103097748,6.302004512,4.558445029,5.179066179,2.064381102,0.835145798,0.339947307,0.144251422,2.05E-10,6.39E-41,3.84E-93,4.44E-167,9.92E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,5.487665595,9.285493547,5.261009704,26.00340308,11.88554267,22.59793149,18.70878795,24.94141418,9.595392742,4.528580287,2.869404497,1.319621644,1.88E-09,5.85E-40,3.51E-92,4.06E-166,9.08E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,2.966696164,7.789068193,2.104020939,16.67451909,4.711784062,9.202364782,7.693135406,8.876555211,3.804278059,1.671424186,0.75734484,0.329023806,4.68E-10,1.46E-40,8.75E-93,1.01E-166,2.26E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,3.083169168,1.688542023,1.41593876,0.498277891,0.272889067,0.447060015,0.45825404,0.389563688,6.187649951,11.96251153,25.52162462,0.247416837,1.294877743,2.138716653,1.049895441,0.803556927,0.535727982,0.262988725,0.215934426,0.182171576,0.131772549,3.99216902,4.807660198,10.60415913,0.303591973,0.52987855,2.48816936,1.285993945,1.030845824,0.517828227,0.267636109,0.291730302,0.270158391,0.212620762,4.805009129,7.090351214,15.19383064,0.276742341,0.774509455,3.057022051,1.67083561,1.39906042,0.498949392,0.272704088,0.43953796,0.448968692,0.380775664,6.12691808,11.72233982,24.99535256,0.248424088,1.269282316,2.654299481,1.398312885,1.13859245,0.511307023,0.269361918,0.331766683,0.317812032,0.257129592,5.191204816,8.325815009,17.74295257,0.266960535,0.906708308,3.166054762,1.744681202,1.469417933,0.496234858,0.273454407,0.471327919,0.488312809,0.418028676,6.380153897,12.73967972,27.23654007,0.244352287,1.377669404,3.073232441,1.672766069,1.401899297,0.499883462,0.272087488,0.444297978,0.449952067,0.382322269,6.147897807,11.79421092,25.14899116,0.249825193,1.276572314 +UMLRON0018,L,"2, 6, 6- trimethyl- , (1R, 5R) -bicyclo[3.1.1] hept- 2- ene",CC1=CC[C@@H]2C[C@H]1C2(C)C,6654,Opting for Sandia/Co-optima NREL-measured values,"Sandia, UML",[1],C10H16,UML,stereochemistry,80,0,1.8012,3.24432144,43.5888,21.174344,6,6,17,9,8,0,9,0,0,0,0,0,0,0,0,0,1306.505601,1539.497914,2070.163045,1558.722321,802.096516,118.108368,5.08032,0,0,4060.322071,5153.061948,7372.589329,6407.623526,3976.912913,1312.383247,155.4187222,0,0,121.612356,132.346216,218.627284,257.6457,205.308688,124.524864,33.59232,0,0,28.65700324,36.79735448,54.51702186,51.15220794,34.31168791,14.02341493,2.223064524,0,0,2620.490421,2492.923943,4283.205045,5466.228619,4557.806847,3042.361798,924.5882601,0,0,39.80555556,49.27777778,74.66666667,76.66666667,56.33333333,26.5,5,0,0,76.85327065,85.52766189,69.00543483,43.29784225,27.65850055,6.561576,1.016064,0,0,238.8424748,286.2812194,245.7529776,177.9895424,137.134928,72.9101804,31.08374443,0,0,7.153668,7.352567556,7.287576133,7.156825,7.079609931,6.918048,6.718464,0,0,1.685706073,2.044297471,1.817234062,1.420894665,1.183161652,0.779078607,0.444612905,0,0,154.1464954,138.4957746,142.7735015,151.8396839,157.1657534,169.0200999,184.917652,0,0,2.341503268,2.737654321,2.488888889,2.12962963,1.942528736,1.472222222,1,0,0,0.050368443,-0.001738403,-0.018052148,-0.002615117,-0.016550853,-0.00156578,0.01533808,0,0,512.7501558,26.81046566,-100.1203327,-188.5110867,-198.1460978,33.9319956,169.659978,0,0,953.4808099,49.85520574,-186.178034,-350.5444154,-368.46113,63.09799477,315.4899739,0,0,0.100444235,0.005251986,-0.019612886,-0.036928028,-0.03881546,0.006647045,0.033235225,0,0,4.262502853,0.222875966,-0.832302436,-1.567096637,-1.647192688,0.282077395,1.410386974,0,0,23.15398315,1.210665786,-4.521080043,-8.512493806,-8.947576822,1.532248885,7.661244425,0,0,3.529411765,0.040753556,-1.06497501,-0.382545175,-1.324682814,-0.094867359,1.061610919,0,0,0.00296285,-9.66E-05,-6.02E-04,-7.26E-05,-5.71E-04,-8.70E-05,0.003067616,0,0,30.16177387,1.489470314,-3.337344423,-5.236419074,-6.832624061,1.885110867,33.9319956,0,0,56.08710646,2.769733652,-6.205934465,-9.737344872,-12.70555621,3.505444154,63.09799477,0,0,0.005908484,2.92E-04,-6.54E-04,-0.001025779,-0.001338464,3.69E-04,0.006647045,0,0,0.250735462,0.012381998,-0.027743415,-0.043530462,-0.056799748,0.015670966,0.282077395,0,0,1.361999009,0.06725921,-0.150702668,-0.236458161,-0.308537132,0.085124938,1.532248885,0,0,0.207612457,0.002264086,-0.035499167,-0.010626255,-0.045678718,-0.005270409,0.212322184,0,0,-0.032596303,-0.203094438,-0.024517665,-0.19262506,-0.029359495,1.035360031,0,0,0.049382716,-0.110648148,-0.173611111,-0.226532567,0.0625,1.125,0,0,0.049382716,-0.110648148,-0.173611111,-0.226532567,0.0625,1.125,0,0,0.049382716,-0.110648148,-0.173611111,-0.226532567,0.0625,1.125,0,0,0.049382716,-0.110648148,-0.173611111,-0.226532567,0.0625,1.125,0,0,0.049382716,-0.110648148,-0.173611111,-0.226532567,0.0625,1.125,0,0,0.01090535,-0.170987654,-0.051183128,-0.220019157,-0.025385802,1.022685185,0,0,0.922345645,1.065178335,0.905478443,1.203963192,1.094809911,0.044738688,0,0,0.839506173,1.007407407,1.101851852,1.172413793,0.944444444,0,0,0,0.839506173,1.007407407,1.101851852,1.172413793,0.944444444,0,0,0,0.839506173,1.007407407,1.101851852,1.172413793,0.944444444,0,0,0,0.839506173,1.007407407,1.101851852,1.172413793,0.944444444,0,0,0,0.839506173,1.007407407,1.101851852,1.172413793,0.944444444,0,0,0,0.895473251,1.040987654,0.958436214,1.222349936,1.038888889,0,0,0,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,30.317021,14.66707332,21.92343639,30.28286463,3.364762736,14.66707563,-0.102469136,0.144770163,0.016085574,-1.739347092,216.0523556,24.00581728,4.837968689,0,11.85,12.15009716,-0.197483701,0.10336398,6.851794432,8.733662621,10,18,14,11,3,4,1,0,0,7,8.745656,3.896642869,3.213856999,2.711209086,2.265275095,1.999283045,0.936349217,0.751386979,0.634275881,1.934663649,1.635236263,1.166563237,0.992187746,0.55514387,0.294610037,0.237639127,0.004773746,3.906018791,3.233726211,2.734050231,2.287507301,2.053559467,1.04484566,0.879623337,0.764597328,1.908081025,1.583761609,1.103231272,0.913134037,0.42960752,0.133317731,0.069566919,0.133169099,3.948865863,3.325185468,2.843673216,2.401360429,2.295920056,1.502669846,1.396578303,1.263883454,1.837512721,1.441000237,0.935421825,0.694878529,0.030291288,0.415822314,0.514960157,0.637614483,3.913004563,3.248580273,2.75136921,2.30466166,2.093975113,1.124382985,0.972041416,0.856620342,1.891888708,1.551742321,1.064476098,0.863838385,0.346984783,0.024461402,0.044590564,0.229106292,3.970886389,3.372202182,2.902425032,2.470703929,2.408863196,1.705744533,1.616773175,1.466689105,1.817471268,1.399189685,0.889108699,0.632767116,0.102491581,0.61276886,0.732013266,0.830489281,3.910423864,3.299254781,2.783105405,2.322194358,2.099619403,1.227102121,1.085719563,0.945399274,1.880422863,1.535027537,1.038359787,0.78198663,0.272552999,0.09656656,0.171181567,0.310357178,0,0,0,6,2,0,1,0,0,0,0,0.11785113,0.25,0.294627825,0,0,0.058925565,0.09581916,0.094604928,0.333333333,0,0.083333333,0,0.185395406,0,0.034020691,0,0.942809042,1.5,1.414213562,0.438965393,0.58115787,0.449778435,6.104448007,4.466326495,3.735520021,3.216326495,2.686765231,1.779039102,0.936856351,0.560395406,0.678272001,0.44663265,0.287347694,0.189195676,0.127941201,0.088951955,0.06245709,0.043107339,5.171208396,3.211160418,2.305306794,1.690268696,1.195541839,0.647631238,0.291807263,0.146769731,0.574578711,0.321116042,0.177331292,0.09942757,0.056930564,0.032381562,0.019453818,0.011289979,11.16731122,16.55134741,15.90196078,16.04,12.19421796,125.8264934,0.65690066,0.973608671,0.935409458,0.943529412,0.717306939,7.401558436,2.07319,38.118,55.16228989,65.35541437,110.3245798,12.25828664,55.16228989,5.55E-17,6.17E-18,-33.68695298,2000024.663,222224.9625,13.05780306,70,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,4,0,0,1,1,6,0,0,0,0,0,0,0,0,0,0,1,0,2,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.71212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.809722222,1.730972222,0,0,0.449583333,0.422222222,2.540694444,0,0,0,0,0,0,0,0,0,0,1.121203704,0,4.375,8.494537037,0,0,0,0,2.842592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.386574074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.3875,0.422222222,0,0,0.449583333,0.422222222,0.3875,0,0,0,0,0,0,0,0,0,0,1.121203704,0,2.175925926,2.07787037,0,0,0,0,1.386574074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.199074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.44,0,0,0.449583333,0.422222222,0.44,0,0,0,0,0,0,0,0,0,0,1.121203704,0,2.199074074,2.175925926,0,0,0,0,1.456018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.83333333,1.87037037,0.449583333,2.199074074,0.1875,1.121203704,4.873805278,0.378796296,0.199074074,1.739074074,0.378796296,0.199074074,1.739074074,4.5,0.5,0,0,0.51176,0.7,0.444,0.444,0.7,0.06776,0.06776,0,0,0.71429,0,0,0,0.22222,0,12.5,1.38889,5,0.55556,7.5,0.83333,2.5,0.27778,0,0,3.96363,0.4404,9.28813,5.3245,0.59161,1.90401,0.21156,4.46631,2.56231,0.2847,-0.05231,-0.00581,0.11969,0.0133,0.529411765,28,0,0,0,0,0,0,0.111111111,0.997502546,2.374556048,3.051601637,3.734521665,3.969815782,3.969815782,16.95754329,40.36745282,51.87722783,63.4868683,67.4868683,67.4868683,0.244039539,0.580936425,0.746575995,0.91365275,0.971217583,0.971217583,3.089960295,1.712906793,1.035861204,0.352941176,0.117647059,0.117647059,0.223683786,0.532479529,0.684302821,0.83744342,0.890206672,0.890206672,6.344815581,18.67288768,24.2756135,27.55027151,27.78740681,27.78740681,30.32476541,25.25701081,19.49398732,15.64396901,15.15280128,15.15280128,5.76,2.319526627,0.996539792,0,8,0,2.45,0.9875,0,0,0,0,9.480406828,8.052870517,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.137,0.136,0.779,1.016,4.691,13,17,21,20,15,13,11,0,0,129,2.708050201,3.238678452,3.801091445,4.342180726,4.710093106,4.627420795,4.801199445,4.906431517,0,0,6.452443198,4.908914729,0.25,2,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,3,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,4,0.333333333,1,0.888888889,0.319444444,0.097222222,0,0,0,0,0,0,0.1,0.068376068,0.035493827,0.024305556,0,0,0,0,0,0,0.228175451,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,0,118.0615681,4.169925001,3.850147602,4.672828834,5.509388337,6.34738921,7.189167738,8.030409562,8.873047799,9.715168044,10.55791989,83.74546702,3.044522438,0,4.290459441,2.397895273,5.752572639,4.59511985,7.311218384,6.580639137,8.914760527,9.22818029,116.0626003,6.82721178,18.55905426,2.06211714,0,0,0,79,9,2.923,46,1.266032656,2.24068407,3.145944771,4.196552669,5.269082866,6.298029617,0,0,0,0,117.7980375,163.4385491,145.7124652,121.5203329,35.00702698,6.399201165,0,0,0,0,384.6780348,572.0748998,588.506467,595.3132706,387.4397065,195.766343,0,0,0,0,9.339044419,16.3625057,22.58546616,29.77202508,36.46737134,42.31308526,0,0,0,0,2.708797283,4.191100429,4.648728755,5.099125382,4.131177738,2.800185243,0,0,0,0,173.4441615,317.7360472,472.525205,654.8379348,889.3380668,1164.616849,0,0,0,0,3.569549712,5.693123284,6.903241497,8.328535063,7.794921594,6.298029617,0,0,0,0,0.553903369,0.863702879,0.971889141,1.081327551,0.907445661,0.644918233,0,0,0,0,228.3880263,100.1953686,12.68954492,187.6226546,-82.31132491,-10.6417581,40.76537172,182.5066935,23.33130301,0.548995583,0.240848068,0.030502931,0.451004417,-0.197858682,-0.025580492,95.01185835,41.68234353,5.278986223,78.0530283,-34.24239033,-4.427085032,0.142127198,0.180347364,4.103108866,5.966608809,416.0106809,0,1,0,741.8708376,27.23730599,9.052657716,820.641,28.64683229,9.362339889,1220.28383,34.93256117,10.68612587,1.319167367,1.219497294,442.4080688,319.0929384,126.6448893,1.386455216,3.493295869,2.51958796,3.762660785,3.873610987,6.748577395,0.742192858,2.721209682,3.822859818,3.558054949,8.207652392,6.908287372,4.287311887,1.942166748,3.418199767,2.166748297,1.112986013,0.734252855,0.007638464,0.002443511,3.16E-25,9.77E-69,6.05E-134,7.25E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0.228422913,3.822817043,0.311298794,2.872405008,0.56381672,0.955912127,0.275845259,0.704820248,0.042001668,0.026587266,0.005209767,5.38E-05,1.72E-05,2.23E-27,6.88E-71,4.26E-136,5.11E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0.737253837,3.822820072,0.969150423,3.241493333,1.793086738,1.635920847,0.517984739,1.252544986,0.227728075,0.129855179,0.053988569,5.61E-04,1.79E-04,2.32E-26,7.17E-70,4.44E-135,5.32E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,2.568603062,3.822855182,3.357564297,7.626338118,6.496615576,4.083365629,1.805489325,3.249918658,1.948945835,1.004559895,0.65423249,0.006805734,0.002177124,2.82E-25,8.71E-69,5.39E-134,6.46E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,1.086550314,3.822823844,1.422194071,3.70862878,2.656471047,2.10272581,0.713301832,1.63036212,0.428853731,0.23592727,0.117175982,0.001217742,3.90E-04,5.04E-26,1.56E-69,9.64E-135,1.16E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,3.286243306,3.822879273,4.302341977,10.64918369,8.458941635,5.042433482,2.487582839,4.043732798,3.072780193,1.562033373,1.07071365,0.011139982,0.003563631,4.61E-25,1.43E-68,8.82E-134,1.06E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,1.47604419,3.490189992,1.96740902,4.411232111,3.558754243,2.555346474,0.94267032,2.086163511,0.717723362,0.382161119,0.210032,0.002183488,6.98E-04,9.03E-26,2.79E-69,1.73E-134,2.07E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,4.01189037,1.980175895,0.097163904,0.658850176,0.325193143,0.564901957,0.506910216,0.117660855,6.089230169,8.526461156,15.38758553,0.488275264,1.189473028,2.739523755,1.081213652,0.014334839,0.714334328,0.281927845,0.263285052,0.152397061,0.002560983,3.835072246,3.016780139,6.894312329,0.571501492,0.418243096,3.133964941,1.361477995,0.040072646,0.690983172,0.300181527,0.344473216,0.241235978,0.020013249,4.535515581,4.446968594,9.153467113,0.536474757,0.605722443,3.96624416,1.948149272,0.094200941,0.660095176,0.324227124,0.552084633,0.490843812,0.110594252,6.008594373,8.2839771,15.02044667,0.490142764,1.153522696,3.349105361,1.513678809,0.054085508,0.681145847,0.307854165,0.39340869,0.297783264,0.036457221,4.916869677,5.332475962,10.52353049,0.521718771,0.727649175,4.161844459,2.085295,0.106894106,0.65499252,0.328184448,0.608058997,0.561398877,0.14240645,6.354033565,9.346455827,16.62818843,0.482488781,1.311864324,3.970829382,1.948192822,0.094087592,0.660362028,0.323990895,0.55331789,0.491115645,0.110328261,6.013109796,8.292847845,15.03381373,0.490543043,1.154761796 +UMLRON0019,L,indene,C1C=CC2=CC=CC=C21,7219,Sandia values from independent api report ,Sandia,,C9H8,PubChem,,102.3,0,2.2962,5.27253444,39.5198,20.74793,6,6,18,8,10,0,8,0,0,0,0,0,0,0,0,0,1164.273608,1275.183848,1618.236826,1423.517096,611.441042,119.210112,6.096384,0,0,3698.972658,4535.501378,6027.984113,6005.592007,4078.855785,1601.735308,186.5024666,0,0,127.508768,131.500448,215.362792,237.067424,253.887176,204.747264,40.310784,0,0,26.75732905,33.4466431,46.14629777,48.14301353,38.0868553,18.68983839,2.667677429,0,0,2863.531369,2545.580326,4521.165141,4937.803854,5714.116169,5293.168726,1109.505912,0,0,39.55555556,48.11111111,67.33333333,74.33333333,67.33333333,38,6,0,0,64.68186711,70.84354711,53.94122753,43.1368817,16.98447339,3.9736704,1.016064,0,0,205.498481,251.9722988,200.9328038,181.9876366,113.3015496,53.39117695,31.08374443,0,0,7.083820444,7.305580444,7.178759733,7.183861333,7.052421556,6.8249088,6.718464,0,0,1.48651828,1.858146839,1.538209926,1.458879198,1.057968203,0.622994613,0.444612905,0,0,159.0850761,141.4211292,150.7055047,149.6304198,158.7254491,176.4389575,184.917652,0,0,2.197530864,2.672839506,2.244444444,2.252525253,1.87037037,1.266666667,1,0,0,0.042011374,0.00113106,-0.00465623,-0.017417678,-0.026637868,0.016286619,0.010288411,0,0,538.0711511,2.98E-13,98.6463777,-286.9712806,-511.1675936,286.9712806,143.4856403,0,0,1000.566282,-7.11E-14,183.4371517,-533.6353504,-950.5379679,533.6353504,266.8176752,0,0,0.105404444,1.52E-15,0.019324148,-0.056215704,-0.100134222,0.056215704,0.028107852,0,0,4.472996822,4.16E-15,0.820049417,-2.385598305,-4.24934698,2.385598305,1.192799152,0,0,24.29738973,4.40E-14,4.45452145,-12.95860785,-23.08252024,12.95860785,6.479303927,0,0,3.901234568,-0.679012346,1.028806584,-1.041152263,-3.975308642,1.720164609,0.995884774,0,0,0.002333965,6.28E-05,-1.55E-04,-5.28E-04,-7.40E-04,5.43E-04,0.001714735,0,0,29.89284173,1.66E-14,3.28821259,-8.696099412,-14.19909982,9.565709353,23.91427338,0,0,55.58701566,-3.95E-15,6.114571723,-16.17076819,-26.40383244,17.78784501,44.46961253,0,0,0.005855802,8.46E-17,6.44E-04,-0.001703506,-0.002781506,0.001873857,0.004684642,0,0,0.248499823,2.31E-16,0.027334981,-0.072290858,-0.118037416,0.079519943,0.198799859,0,0,1.349854985,2.44E-15,0.148484048,-0.392685086,-0.641181118,0.431953595,1.079883988,0,0,0.216735254,-0.037722908,0.034293553,-0.031550069,-0.11042524,0.05733882,0.165980796,0,0,0.026922699,-0.06649956,-0.226142374,-0.317031624,0.232602992,0.734687544,0,0,5.55E-16,0.11,-0.290909091,-0.475,0.32,0.8,0,0,-7.10E-17,0.11,-0.290909091,-0.475,0.32,0.8,0,0,1.44E-14,0.11,-0.290909091,-0.475,0.32,0.8,0,0,9.31E-16,0.11,-0.290909091,-0.475,0.32,0.8,0,0,1.81E-15,0.11,-0.290909091,-0.475,0.32,0.8,0,0,-0.174050633,0.158227848,-0.14556962,-0.509493671,0.264556962,0.765822785,0,0,0.977767684,1.007673912,1.2804113,1.246278799,0.55488696,0.233957644,0,0,1.0625,0.8925,1.275,1.38125,0.51,0,0,0,1.0625,0.8925,1.275,1.38125,0.51,0,0,0,1.0625,0.8925,1.275,1.38125,0.51,0,0,0,1.0625,0.8925,1.275,1.38125,0.51,0,0,0,1.0625,0.8925,1.275,1.38125,0.51,0,0,0,1.264240506,0.742405063,1.100402762,1.506329114,0.581012658,0,0,0,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,25.80371302,12.63947897,17.28024625,25.77871302,3.222339127,12.63949246,-0.05,0.170468282,0.021308535,-1.415364823,180.8229575,22.60286969,4.158014734,0,11.89,12.11011416,-0.153572681,0.066679311,6.076517438,8.135706971,8,18,15,12,2,3,0,0,0,6,10.93207,3.80402576,2.90795096,2.82224519,2.2840747,1.849087084,0.762088806,0.757343017,0.083923071,1.990836888,1.414070796,1.410684643,0.967505521,0.642456651,0.240317338,0.017405256,0.083923071,3.814961154,2.937007014,2.856180768,2.337690339,1.911715578,0.884873518,0.871721925,0.270913902,1.959441359,1.331448037,1.322266262,0.878049989,0.53889727,0.072857973,0.114294004,0.270913902,3.865369425,3.075578314,3.020159645,2.558179261,2.168564572,1.399718817,1.318436933,0.943918427,1.875952483,1.105089135,1.055275398,0.599306628,0.21632519,0.507877804,0.601574622,0.943918427,3.823131875,2.959027702,2.882037162,2.376388319,1.956880895,0.976843348,0.951179337,0.399277246,1.940303412,1.281274819,1.263652779,0.820034811,0.471833165,0.04078926,0.206484562,0.399277246,3.891532095,3.148440862,3.106818782,2.657056976,2.283298423,1.619268826,1.50782532,1.207644823,1.85220322,1.038929329,0.976578969,0.504666614,0.106344136,0.722573095,0.787776827,1.207644823,3.816796135,2.99042733,2.918477145,2.443380612,1.992665874,1.07434737,1.010212234,0.52173913,1.941170267,1.220615524,1.201263501,0.746473786,0.42637853,0.152342848,0.267686842,0.52173913,0,0,0,4,2,2,0,0,0,0,0,0,0.083333333,0.166666667,0,0,0,0.027777778,0.055555556,0.471404521,0,0.166666667,0,0.288675135,0,0.083333333,0,1.138071187,1.040440115,1.138071187,0.622008468,0.455341801,0.414672312,5.983127663,3.804530453,3.239024819,2.540336414,1.501661279,1.024377395,0.333333333,0.083333333,0.747890958,0.475566307,0.323902482,0.230939674,0.150166128,0.102437739,0.083333333,0.083333333,5.309401077,2.827350269,2.084258917,1.425569669,0.662677957,0.374002823,0.111111111,0.027777778,0.663675135,0.353418784,0.208425892,0.129597243,0.066267796,0.037400282,0.027777778,0.027777778,10.70913902,17.43918427,16.62745098,16.8,11.99277246,135.3693593,0.594952168,0.96884357,0.923747277,0.933333333,0.666265136,7.52051996,1.74264,33.722,31.15378298,42.72358734,62.30756596,7.788445745,31.15378298,3.33E-16,4.16E-17,-28.51055062,41.24325189,5.155406487,2.975590007,54,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,4,0,0,0,0,0,0,0,0,2,0,0,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.09259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.661944444,0,0,0,0,1.661944444,0,0,0,0,0,0,0,0,4.240740741,0,0,0,0,8.356481481,0,0,0,0,2.736111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.368055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0,0.406597222,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,2.05787037,0,0,0,0,1.368055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.424375,0,0,0,0,0.424375,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,2.12037037,0,0,0,0,1.368055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.33333333,1.916666667,0.424375,2.12037037,0.159722222,1.368055556,4.877810185,0.298611111,0.12037037,1.194444444,0.298611111,0.12037037,1.194444444,4,0.5,0,0,0.47778,0.7,0.43333,0.43333,0.7,0.04444,0.04444,0,0,0.71429,0,0,0.25,0.25,0,10,1.25,4,0.5,6,0.75,2,0.25,0,0,4.20915,0.52614,8.47399,4.26484,0.53311,1.70742,0.21343,3.80452,2.0971,0.26214,0.10948,0.01369,0.19548,0.02444,0.333333333,8,0,0,0,0,0,0,0.25,0.99107606,2.197159723,2.419381946,2.641604168,2.641604168,2.641604168,17.83936908,39.54887502,43.54887502,47.54887502,47.54887502,47.54887502,0.237672394,0.526906293,0.580197952,0.633489611,0.633489611,0.633489611,3.178848942,1.972765278,1.750543056,1.528320834,1.528320834,1.528320834,0.225638533,0.500227901,0.550821289,0.601414678,0.601414678,0.601414678,6.714395846,15.2580338,17.92470047,18.14866158,18.14866158,18.14866158,29.66949396,25.1248139,22.0050139,21.48504723,21.48504723,21.48504723,6.125,2.52,1.487603306,0,6,0,2.34,0.9982,0.333333333,2.746356192,2.828427125,0,3.965406457,4.298279727,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,3.896,10,11,10,10,4,1,0,0,0,62,2.48490665,3.020424886,3.457892725,3.803880847,4.201890189,3.446011397,2.151035195,0,0,0,5.384064924,3.498487903,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,1.5,1.111111111,0.375,0.222222222,0,0,0,0,0,0,0.1875,0.111111111,0.046875,0.111111111,0,0,0,0,0,0,0.456597222,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,0,115.7585009,4,3.610917913,4.369447852,5.153291594,5.932245187,6.717804695,7.501634458,8.287276756,9.072341874,9.857914707,76.50287504,2.833213344,0,4.043051268,0,5.476463552,0,7.00033446,0,8.555836815,8.796490207,106.0782503,5.893236129,15.53340973,1.941676217,0,0,0,60,8,2.866,36,1.231350208,2.153884046,3.046647115,3.822580672,4.468708192,5.750098393,0,0,0,0,96.27497539,127.0224938,137.5267254,68.86344329,18.82367219,5.842467974,0,0,0,0,331.391896,461.8651935,571.838864,448.4080984,246.6335433,178.7345889,0,0,0,0,9.024660361,15.52054232,21.92590697,27.00948005,30.53690935,38.63182905,0,0,0,0,2.402651941,3.484881805,4.550666162,4.149925192,2.848304721,2.55656795,0,0,0,0,172.3376467,320.5194899,453.0536842,602.8301581,785.3968383,1063.294694,0,0,0,0,3.392950518,5.025400425,7.009036361,7.297529309,5.756522435,5.750098393,0,0,0,0,0.494081992,0.722836451,0.952155061,0.890312262,0.634798959,0.588810075,0,0,0,0,233.8521723,96.85195566,9.952212092,103.1515768,-42.72114236,-5.322744102,130.7005955,139.573098,15.27495619,0.69391564,0.28739133,0.029531458,0.30608436,-0.126767558,-0.015794317,78.80905877,32.63947216,3.353932786,34.7624681,-14.39718514,-1.793784718,0.149769187,0.148478697,3.866505788,2.568200138,337.003749,0,1,0,604.8962865,24.59463938,8.457207237,702.6158965,26.50690281,8.890086578,994.7851316,31.54021451,9.982586801,1.272637786,1.208406765,365.9172357,225.2800829,147.3796166,1.624276905,2.482821194,1.528570151,3.690318969,3.785524729,5.780049759,0.52688205,3.1157585,2.872001084,5.182997632,7.584438973,0.23099269,4.432855542,4.835012059,5.207544078,0.321704875,1.319846809,0.017083217,3.52E-23,2.37E-65,3.37E-129,9.38E-215,5.04E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.261593628,2.871879065,0.268061334,3.709885671,0.039745246,0.306369819,0.448259713,0.34234365,0.002314075,0.012800904,1.20E-04,2.48E-25,1.67E-67,2.37E-131,6.61E-217,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844189527,2.871887516,0.974676375,4.179904137,0.072969214,0.853966727,1.340751044,1.166907941,0.023735362,0.105874606,0.001253811,2.58E-24,1.74E-66,2.47E-130,6.88E-216,3.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.941028572,2.871987793,4.777171508,7.233731792,0.217227959,4.075977539,4.565418734,4.850080781,0.286666497,1.178373224,0.015220839,3.13E-23,2.11E-65,3.00E-129,8.36E-215,4.5E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.244123348,2.871898203,1.547820513,4.597827192,0.097502638,1.317379387,1.954290819,1.782984584,0.051437568,0.221348512,0.002723446,5.61E-24,3.78E-66,5.37E-130,1.50E-215,7.9E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.762704777,2.872056906,6.804737465,9.011831666,0.284292518,5.872590722,5.834375055,6.59876291,0.469018846,1.913439817,0.024914267,5.13E-23,3.45E-65,4.91E-129,1.37E-214,7.36E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.696340176,2.687981827,2.093977049,5.021848526,0.11495975,1.849305557,2.648011178,2.498820822,0.087742789,0.371688456,0.004650252,9.57E-24,6.45E-66,9.17E-130,2.55E-215,1.4E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.189333731,2.312523021,0.185824622,0.560744093,0.406584488,0.567887108,0.576490819,0.222242366,5.687681374,8.397788127,15.45600184,0.450992871,1.366620294,2.174190113,1.357503556,0.03175933,0.610135763,0.380951722,0.263924691,0.19870254,0.006491786,3.563452998,3.063635033,6.720824766,0.486631227,0.469119017,2.522466012,1.685168187,0.084617385,0.587678975,0.39260704,0.355244006,0.30618113,0.046082949,4.292251584,4.606818479,9.258759906,0.470429022,0.707508085,3.157833141,2.282890186,0.181044034,0.561715371,0.406080515,0.556725378,0.561815958,0.210954504,5.621767362,8.193996788,15.12090811,0.45169383,1.32949584,2.69868287,1.850949731,0.111361406,0.578992993,0.397114806,0.406607845,0.369372019,0.079816056,4.660994007,5.501779818,10.71903812,0.464161698,0.85579592,3.290645691,2.407827094,0.201199847,0.557767506,0.408128933,0.60453645,0.624969086,0.260540678,5.899672633,9.069837708,16.56367827,0.448844658,1.490046215,3.160475876,2.282685646,0.180717711,0.56197435,0.405891654,0.557657991,0.561717816,0.210194723,5.623879233,8.198048609,15.1256928,0.451799006,1.329570529 +UMLRON0020,L,O-Xylene,CC1=CC=CC=C1C,7237,,"Sandia, UML",[9],C8H10,PubChem,,120,0,2.7426,7.52185476,43.8018,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1921.920348,1782.655738,965.585044,360.330937,84.835296,9.144576,0,4184.657049,5188.491512,7083.005766,7478.87802,5654.991392,2943.145141,1061.424631,279.7536999,0,148.486212,153.276228,257.716848,281.41732,338.148688,269.228836,123.32736,60.466176,0,30.43545486,38.46263172,54.17148079,59.51285358,51.45544137,30.38709287,12.01662072,4.001516144,0,3360.161029,2978.619777,5482.629357,5740.292549,7657.90588,6644.943464,3137.747111,1664.258868,0,44.33333333,54.11111111,77.44444444,90.44444444,87.33333333,56,24,9,0,62.40808843,68.74581643,53.38667633,45.70912149,20.11635508,9.239254795,4.713072,1.016064,0,199.2693833,247.0710244,196.7501602,191.7661031,117.8123207,75.46526003,58.96803508,31.08374443,0,7.070772,7.298868,7.158801333,7.215828718,7.044764333,6.903303487,6.85152,6.718464,0,1.449307374,1.831553891,1.504763355,1.525970605,1.071988362,0.779156227,0.66759004,0.444612905,0,160.0076681,141.839037,152.2952599,147.1869884,159.5397058,170.3831657,174.3192839,184.917652,0,2.111111111,2.576719577,2.151234568,2.319088319,1.819444444,1.435897436,1.333333333,1,0,0.040146768,0.001937395,0.00499964,-0.029010089,-0.021443503,0.0110004,0.005508478,0.006934296,0,622.6251891,3.91E-13,229.7783436,-412.6127246,-471.9103616,54.35616731,88.94645559,200.1295251,0,1157.798126,-1.14E-13,427.2826418,-767.2709805,-877.5374687,101.0776142,165.3997323,372.1493977,0,0.121968,1.86E-15,0.045012,-0.080828,-0.092444,0.010648,0.017424,0.039204,0,5.175896322,9.60E-15,1.910152214,-3.430058277,-3.923000784,0.451863965,0.73941376,1.663680961,0,28.11555097,4.22E-14,10.37597714,-18.632131,-21.30980252,2.454532227,4.016507281,9.037141383,0,4.285714286,-1.126984127,2.47845805,-2.276643991,-3.414965986,0.56462585,0.326530612,1.306122449,0,0.001911751,9.23E-05,1.39E-04,-7.44E-04,-4.47E-04,2.82E-04,3.06E-04,7.70E-04,0,29.64881853,1.86E-14,6.382731767,-10.57981345,-9.831465867,1.39374788,4.941469755,22.2366139,0,55.13324411,-5.41E-15,11.86896227,-19.67361488,-18.2820306,2.591733697,9.188874018,41.34993308,0,0.005808,8.88E-17,0.001250333,-0.002072513,-0.001925917,2.73E-04,9.68E-04,0.004356,0,0.246471253,4.57E-16,0.053059784,-0.087950212,-0.081729183,0.011586256,0.041078542,0.18485344,0,1.33883576,2.01E-15,0.288221587,-0.477746949,-0.443954219,0.062936724,0.223139293,1.00412682,0,0.204081633,-0.053665911,0.068846057,-0.058375487,-0.071145125,0.014477586,0.01814059,0.145124717,0,0.0482578,0.072644874,-0.389092774,-0.233680895,0.14754095,0.160076587,0.403021805,0,6.28E-16,0.215277778,-0.356837607,-0.331597222,0.047008547,0.166666667,0.75,0,-9.82E-17,0.215277778,-0.356837607,-0.331597222,0.047008547,0.166666667,0.75,0,1.53E-14,0.215277778,-0.356837607,-0.331597222,0.047008547,0.166666667,0.75,0,1.86E-15,0.215277778,-0.356837607,-0.331597222,0.047008547,0.166666667,0.75,0,1.50E-15,0.215277778,-0.356837607,-0.331597222,0.047008547,0.166666667,0.75,0,-0.262962963,0.337345679,-0.286039886,-0.348611111,0.070940171,0.088888889,0.711111111,0,0.99910729,0.914416065,1.535210358,1.278402195,0.697669819,0.425229786,1.66E-08,0,1.111111111,0.810185185,1.396011396,1.255787037,0.797720798,0.648148148,0,0,1.111111111,0.810185185,1.396011396,1.255787037,0.797720798,0.648148148,0,0,1.111111111,0.810185185,1.396011396,1.255787037,0.797720798,0.648148148,0,0,1.111111111,0.810185185,1.396011396,1.255787037,0.797720798,0.648148148,0,0,1.111111111,0.810185185,1.396011396,1.255787037,0.797720798,0.648148148,0,0,1.419753086,0.547325103,1.362773029,1.328703704,0.757834758,0.777777778,0,0,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,1.24E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,1.24E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,1.24E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,1.24E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,1.24E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,1.24E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,32.38658668,16.15996001,22.53098671,32.33569689,3.59285521,16.15996041,-0.066666667,0.027970247,0.003107805,-3.218952539,47.3101853,5.256687255,3.471053046,0,11.85,12.15009716,-0.20845674,0.091650207,6.003955088,8.444013817,9,21,18,15,3,3,0,0,0,6,13.118484,3.833589318,3.056199074,2.831353951,2.417531953,2.136657421,1.730798785,0.76152284,0.330767393,2.008386927,1.532771074,1.41393354,1.195172722,0.897448804,0.526978276,0.020190969,0.083923071,3.843579971,3.083097614,2.86448923,2.476130793,2.198065434,1.792413519,0.873268248,0.456529511,1.978376491,1.455937329,1.322713195,1.094263321,0.801768394,0.417858969,0.10882679,0.270913902,3.889998998,3.21242987,3.024775228,2.724355126,2.448862671,2.044692629,1.326296579,0.95686777,1.89982516,1.240191848,1.059204514,0.771773068,0.495133778,0.091785634,0.593145692,0.943918427,3.851062547,3.103536082,2.889733747,2.518859121,2.242317085,1.83679047,0.954147239,0.547444914,1.960207534,1.407658425,1.264613753,1.027756549,0.739035505,0.348439505,0.199483539,0.399277246,3.914343526,3.281118172,3.109835287,2.838709742,2.559713213,2.158140105,1.516634173,1.207644823,1.877814409,1.17806021,0.982111373,0.663101833,0.388360527,0.016486101,0.780989778,1.159347194,3.838427226,3.11384971,2.939269672,2.601631839,2.318332939,1.869086755,1.026739527,0.613605714,1.964267489,1.365753417,1.19039519,0.933165298,0.658300466,0.301207513,0.268616579,0.529411765,0,0,0,3,3,3,0,0,0,0,0,0,0.068041382,0.204124145,0,0,0,0.024056261,0.072168784,0.760079655,0,0.166666667,0,0.455341801,0,0.083333333,0,1.478278096,1.558028605,2.075933094,0.790402296,0.711787657,0.838514819,6.853371151,4.198377303,3.872792013,2.860366219,1.816762979,1.33160016,0.504473335,0.068041382,0.761485683,0.466486367,0.322732668,0.220028171,0.139750998,0.095114297,0.072067619,0.068041382,6.232050808,3.238033872,2.58771324,1.662410764,0.891346035,0.562731396,0.186004234,0.024056261,0.69245009,0.359781541,0.21564277,0.127877751,0.06856508,0.0401951,0.026572033,0.024056261,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,1.77066,37.362,36.24670713,48.23696276,72.49341426,8.054823807,36.24670713,0.034470015,0.003830002,-3.030898907,80.37277837,8.930308707,3.948007987,67,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.60759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.166388889,0,0,0,0,1.166388889,0,0,0,0,0,0,0,0,6.392407407,0,0,0,0,6.502314815,0,0,0,0,4.105277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.345462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.378819444,0,0,0,0,0.378819444,0,0,0,0,0,0,0,0,2.1175,0,0,0,0,2.141203704,0,0,0,0,1.345462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.203703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0,0,0,0,0.396597222,0,0,0,0,0,0,0,0,2.141203704,0,0,0,0,2.203703704,0,0,0,0,1.384259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17,1.888888889,0.396597222,2.203703704,0.144097222,1.345462963,5.526767685,0.321203704,0.203703704,1.789444444,0.321203704,0.203703704,1.789444444,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.33333,0.33333,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.74382,0.6382,10.41343,4.66961,0.51885,2.06066,0.22896,4.19836,2.1377,0.23752,0.21564,0.02396,0.30164,0.03352,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.128085279,2.390455517,2.843301946,3.236857303,3.522571589,20.68979086,44.68979086,50.19956586,59.70934087,67.97400337,73.97400337,0.224307135,0.484501705,0.544235602,0.647335261,0.736936107,0.80198475,3.407089287,2.264232144,2.001861906,1.549015477,1.155460119,0.869745834,0.214882485,0.464144533,0.521368608,0.620136358,0.70597247,0.768287982,6.75154531,15.36999611,18.51843897,22.51058634,21.86034747,22.14829748,33.82580122,27.57483228,23.40077103,18.23182491,18.95755632,18.26553782,7.111111111,2.722222222,1.704142012,0,6,0,2.45,1.1391,0.766309432,3.479380736,4.441492163,0,1.650963624,5.853800636,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.1,0.505,0.68,4.372,12,13,13,14,7,1,0,0,0,78,2.564949357,3.157000421,3.590439381,3.986666548,4.427089623,3.944006051,2.151035195,0,0,0,5.611415875,3.493990385,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,5,0.666666667,2.5,1.333333333,0.5625,0.413333333,0,0,0,0,0,0,0.277777778,0.111111111,0.05625,0.103333333,0,0,0,0,0,0,0.548472222,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,0,133.0544855,4.169925001,3.761200116,4.532599493,5.351858133,6.146329258,6.963189986,7.764296006,8.579416535,9.382695764,10.19694044,80.67852573,2.944438979,0,4.204692619,0,5.666426688,0,7.217443432,0,8.806723555,9.038602609,120.0939004,5.718757161,17.38201719,1.931335244,0,0,0,84,10,3.258,42,1.233300178,2.143608143,3.065976102,3.792069948,4.631604102,5.883400279,6.552566751,0,0,0,94.09564805,126.607284,148.7991516,84.81547788,48.19408984,28.60812362,6.657827183,0,0,0,326.4685465,454.7269372,609.1090586,476.9160855,371.8126972,353.564087,203.6783102,0,0,0,9.031490446,15.41321615,22.1571405,26.80595817,32.05154208,40.34187849,44.02318382,0,0,0,2.376896686,3.421440939,4.796870299,4.266804385,3.765674569,3.980728577,2.913355737,0,0,0,173.0750978,321.7093214,449.068676,598.0455883,783.1178895,1023.069585,1211.685258,0,0,0,3.27231619,4.830695192,7.247086387,7.148033429,6.870405352,7.923808126,6.552566751,0,0,0,0.489174207,0.70955305,1.00146107,0.911091454,0.822064925,0.883220308,0.670982835,0,0,0,286.7017456,125.0549918,10.16448182,105.4158797,-45.98082212,-5.029564369,181.2858659,171.0358139,15.19404619,0.731162608,0.318922139,0.025922022,0.268837392,-0.117262829,-0.012826673,112.4208076,49.03626639,3.985672473,41.33542441,-18.02989078,-1.972180837,0.142807103,0.134284561,2.742173126,1.461181649,392.1176253,0,1,0,669.1530565,25.8679929,8.746651482,786.0344264,28.03630551,9.22884154,1145.15277,33.84010594,10.46215482,1.505113381,1.505113381,524.3757495,373.1769387,161.3126645,1.405166545,3.250679363,2.313376571,4.066590112,4.288153178,6.664765497,0.554227478,3.591901278,3.871162657,5.313765476,9.312772647,0.353180733,5.570287741,6.982724887,7.502513732,2.03066848,4.9821562,2.215501965,2.185137681,2.73E-05,7.61E-31,4.94E-78,6.44E-147,1.67E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,0.301552992,3.870979963,0.284910775,5.68126717,0.073074894,0.364456579,0.664797188,0.501953851,0.999313971,0.154213265,0.127311145,0.015390727,1.93E-07,5.36E-33,3.48E-80,4.54E-149,1.17E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0.973183225,3.870992572,1.025197217,6.267727015,0.127630286,0.980862862,1.953304168,1.703826651,1.159402949,0.602454007,0.449552859,0.160378346,2.01E-06,5.58E-32,3.62E-79,4.73E-148,1.22E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390468513,3.871142741,4.904650973,9.035688597,0.33510592,5.093734458,6.595550809,6.993607299,1.94968836,4.496533389,2.050871762,1.946918764,2.44E-05,6.78E-31,4.40E-78,5.74E-147,1.48E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,1.434236324,3.871008556,1.618362329,6.716278967,0.165858838,1.536496874,2.838155404,2.596302586,1.284273456,1.069676486,0.701642204,0.348361663,4.36E-06,1.21E-31,7.87E-79,1.03E-147,2.65E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.337716138,3.871246314,6.943495949,10.40087272,0.42115609,7.513983717,8.416704801,9.477982019,2.350758909,6.995997296,2.866828805,3.186815911,3.99E-05,1.11E-30,7.20E-78,9.39E-147,2.43E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,2.013498659,3.61819004,2.147023201,7.480305617,0.210014946,2.256941076,3.858667627,3.652083108,1.55922037,1.712177452,1.028112882,0.612445708,7.66E-06,2.13E-31,1.38E-78,1.81E-147,4.67E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.772263901,2.162641999,0.238916037,0.665233113,0.301463016,0.576716135,0.509850776,0.285726465,7.173821937,11.97755858,21.61716086,0.49784967,1.372293375,3.073718742,1.308343756,0.042080352,0.694760284,0.29572819,0.24028369,0.188008053,0.008863758,4.42414285,4.205879457,8.799247632,0.542140426,0.437155501,3.667884933,1.607403796,0.110952113,0.680973065,0.298427761,0.341476762,0.282881992,0.061621273,5.386240842,6.481076596,12.52146582,0.521459597,0.685980027,4.721057359,2.136909651,0.232983704,0.665786232,0.301357284,0.564453132,0.497873027,0.271713329,7.090950714,11.68626759,21.12766812,0.498679348,1.334039487,3.963911904,1.756298293,0.145257555,0.67580491,0.299430219,0.398517007,0.337266739,0.105617794,5.865467752,7.792715459,14.66943896,0.513707364,0.841401541,4.936321293,2.245078083,0.257921787,0.663544588,0.301785342,0.616892616,0.549177119,0.332993654,7.439321164,12.93466611,23.23238659,0.495316881,1.499063389,4.722938311,2.138393595,0.232683581,0.665763744,0.301436274,0.564920685,0.49859592,0.27101375,7.094015488,11.69602031,21.14002387,0.498645616,1.334530356 +UMLRON0021,L,"1,2,4-trimethylbenzene",CC1=CC(=C(C=C1)C)C,7247,Co-optima vals measured by NREL,Sandia,,C9H12,PubChem,,108.6,0,-0.34,0.1156,26.1559,19.895102,0,0,20,6,14,0,6,0,0,0,0,0,0,0,0,0,879.809622,890.819837,974.639069,862.717636,432.973465,103.124448,9.144576,0,0,2976.273833,3723.897138,4754.238025,4808.864311,3631.564839,1620.932031,279.7536999,0,0,139.301592,137.349428,253.958324,314.400784,311.934628,244.259712,60.466176,0,0,22.95798067,29.53412034,41.10612815,44.10122001,37.06835873,20.01965301,4.001516144,0,0,3349.613265,2777.687448,5730.516907,7389.308863,7563.67875,6466.264847,1664.258868,0,0,32.27777778,38,55.91666667,68,67,42,9,0,0,43.9904811,46.88525458,27.07330747,19.17150302,9.621632556,2.864568,1.016064,0,0,148.8136916,195.9945862,132.0621674,106.8636514,80.70144088,45.02588975,31.08374443,0,0,6.9650796,7.228917263,7.054397889,6.986684089,6.931880622,6.784992,6.718464,0,0,1.147899033,1.554427386,1.141836893,0.980027111,0.823741305,0.556101472,0.444612905,0,0,167.4806632,146.1940762,159.1810252,164.2068636,168.08175,179.618468,184.917652,0,0,1.613888889,2,1.553240741,1.511111111,1.488888889,1.166666667,1,0,0,0.028302395,-0.005876358,-0.005542894,-0.002011666,-0.013336366,0.007886446,0.00472964,0,0,508.4772378,-59.32234441,-92.01016684,-115.0127085,-260.2919194,174.335053,98.06346729,0,0,945.5351364,-110.3124326,-171.0968342,-213.8710428,-484.0239389,324.1834754,182.3532049,0,0,0.0996072,-0.01162084,-0.01802416,-0.0225302,-0.0509894,0.03415104,0.01920996,0,0,4.226981996,-0.4931479,-0.764882456,-0.956103071,-2.163812212,1.44925097,0.815203671,0,0,22.96103329,-2.678787217,-4.154853643,-5.193567054,-11.75386228,7.872354271,4.428199278,0,0,2.672222222,-1.196944444,-0.293333333,0.779166667,-1.4375,0.39,0.4225,0,0,0.00141512,-3.09E-04,-1.54E-04,-4.47E-05,-2.96E-04,2.19E-04,5.26E-04,0,0,25.42386189,-3.122228653,-2.555837968,-2.555837968,-5.784264874,4.84264036,10.89594081,0,0,47.27675682,-5.805917504,-4.752689839,-4.752689839,-10.75608753,9.005096538,20.26146721,0,0,0.00498036,-6.12E-04,-5.01E-04,-5.01E-04,-0.001133098,9.49E-04,0.00213444,0,0,0.2113491,-0.025955153,-0.021246735,-0.021246735,-0.048084716,0.040256971,0.090578186,0,0,1.148051665,-0.140988801,-0.115412601,-0.115412601,-0.26119694,0.218676508,0.492022142,0,0,0.133611111,-0.062997076,-0.008148148,0.017314815,-0.031944444,0.010833333,0.046944444,0,0,-0.218555365,-0.108802996,-0.031590041,-0.209426572,0.154805238,0.371357645,0,0,-0.122807018,-0.100529101,-0.100529101,-0.227513228,0.19047619,0.428571429,0,0,-0.122807018,-0.100529101,-0.100529101,-0.227513228,0.19047619,0.428571429,0,0,-0.122807018,-0.100529101,-0.100529101,-0.227513228,0.19047619,0.428571429,0,0,-0.122807018,-0.100529101,-0.100529101,-0.227513228,0.19047619,0.428571429,0,0,-0.122807018,-0.100529101,-0.100529101,-0.227513228,0.19047619,0.428571429,0,0,-0.471495787,-0.060984061,0.12959113,-0.239085239,0.081081081,0.351351351,0,0,1.761041552,1.160403025,1.021013286,1.182765148,0.433213113,0,0,0,1.666666667,1.256613757,1.105820106,1.105820106,0.376984127,0,0,0,1.666666667,1.256613757,1.105820106,1.105820106,0.376984127,0,0,0,1.666666667,1.256613757,1.105820106,1.105820106,0.376984127,0,0,0,1.666666667,1.256613757,1.105820106,1.105820106,0.376984127,0,0,0,1.666666667,1.256613757,1.105820106,1.105820106,0.376984127,0,0,0,2.079002079,0.905232155,0.763686764,1.382536383,0.592515593,0,0,0,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,27.13010824,13.47940597,20.52288097,27.01591071,4.502651784,13.47940898,-0.171296296,1.11E-16,1.85E-17,-22.04208034,3000004.079,500000.6798,8.948474524,0,11.89,12.11007471,-0.169151346,0.051247007,5.275584961,7.642003616,5,19,19,19,5,0,0,0,0,0,15.304898,3.486065375,2.902564078,2.602098481,1.907478409,1.598026915,0.940486379,0.083923071,0.083923071,1.905678496,1.563026335,1.389675774,0.941666099,0.769718516,0.363415993,0.083923071,0.083923071,3.514277282,2.950308951,2.661111007,1.990406516,1.695309721,1.066897176,0.270913902,0.270913902,1.844273097,1.473453684,1.286630053,0.814742336,0.630337185,0.203390889,0.270913902,0.270913902,3.638598169,3.155598408,2.911455076,2.332376476,2.090117344,1.562551549,0.943918427,0.943918427,1.663447912,1.195492746,0.959389692,0.395958779,0.162386152,0.34948882,0.943918427,0.943918427,3.535079059,2.985267979,2.704149439,2.050359443,1.765276817,1.15673493,0.399277246,0.399277246,1.805143103,1.415133181,1.218928543,0.730150495,0.536857124,0.094991748,0.399277246,0.399277246,3.699226781,3.252217518,3.027125582,2.484784209,2.26277616,1.771444199,1.207644823,1.207644823,1.607068379,1.104407163,0.849593123,0.249417906,0.004703131,0.554077929,1.207644823,1.207644823,3.51547682,3.076003138,2.8440656,2.151382767,1.849830724,1.241348526,0.580645161,0.580645161,1.810447978,1.311901715,1.069691066,0.603837508,0.42038376,0.02202542,0.580645161,0.580645161,0,0,0,0,0,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.577350269,0.288675135,0,0.577350269,0.288675135,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,9.792794627,19.21485798,18.07843137,18.32,11.58988144,154.455091,0.489639731,0.960742899,0.903921569,0.916,0.579494072,7.722754551,2.4425,29.746,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,6.738425926,0,2.659722222,0,0,0,0.935185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.230324074,0,1.329861111,0,0,0,0.935185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.277777778,0,1.329861111,0,0,0,0.935185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.33333333,1.722222222,0.2,2.277777778,0.2,0.935185185,4.590439815,0.398148148,0.277777778,1.476851852,0.398148148,0.277777778,1.476851852,3,0.5,0,0,0.42,0.7,0.42,0.42,0.7,0,0,0,0,0.71429,0,0,0.5,0.16667,0,2.5,0.41667,2.5,0.41667,0,0,-2.5,-0.41667,0,0,5.73058,0.9551,5.73058,0,0,2.80805,0.46801,2.80805,0,0,0.10595,0.01766,0.10595,0.01766,0,5,0,0,0,0,0,0,1,0.881290899,1.319035274,2.295461844,2.70869497,2.492598565,1.728212946,17.62581798,26.38070549,45.90923688,54.17389939,49.8519713,34.56425892,0.203911514,0.305196025,0.53111986,0.626733002,0.576733002,0.399870823,3.440637196,3.002892821,2.026466251,1.613233125,1.82932953,2.593715149,0.207463733,0.310512661,0.540372178,0.637650939,0.58677992,0.406836732,6.616095946,11.86902845,14.36720586,14.78367255,12.19051569,5.393257752,23.80204551,17.71551634,17.30503569,16.99759575,15.70101732,10.20202878,6,3.2,3,6,0,5,2.12,0.954,0.908560296,3.301927249,1.889881575,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,2.54,5,4,1,0,0,0,0,0,0,21,1.791759469,1.791759469,1.609437912,0.693147181,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,0,112.3323665,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,86.10955045,4.305477522,10.6758508,1.779308466,0,0,0,31,4,3.693,20,1.220894737,2.103173734,2.865487861,3.505459879,4.175001234,5.71185753,0,0,0,0,67.74862772,64.92246437,61.68420186,39.37951263,14.13966644,5.803612809,0,0,0,0,263.8372191,301.2768942,325.9848541,303.0664721,204.4262542,177.5459197,0,0,0,0,8.859366903,14.89288075,20.06705195,24.36139425,28.40581187,38.37490919,0,0,0,0,2.030985313,2.547295132,2.930414499,3.022981823,2.453211893,2.539565568,0,0,0,0,176.3944505,330.6965185,467.1383628,584.5081841,743.6575655,1056.223283,0,0,0,0,2.499333333,3.376314166,4.439815548,5.353172263,5.067398364,5.71185753,0,0,0,0,0.422269342,0.539354181,0.627509756,0.657744497,0.550313972,0.584894211,0,0,0,0,348.2452839,119.178022,8.411708706,145.4814617,-49.7873012,-8.519307768,202.7638222,168.9653232,16.93101647,0.705340124,0.241384578,0.017037174,0.294659876,-0.10083979,-0.017255107,171.9380106,58.84137694,4.153085563,71.82808859,-24.58132219,-4.206210098,0.086550298,0.18974905,1.614066694,11.06347011,493.7267455,0,1,0,310.4078457,17.6183951,6.770866172,446.0263509,21.11933595,7.640471717,486.0997239,22.04766935,7.862761904,1.600376192,1.20582466,297.9980032,257.2067684,72.90961007,1.158593163,4.087225305,3.527748511,3.598661447,3.220194404,6.42424645,0.994987148,3.904607748,4.742643365,2.180766641,19.83544936,6.276698098,5.017174461,5.31761643,8.391284527,2.81392746,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,4.742376508,0.139452035,5.476519534,1.035145025,0.16594251,0.46275533,0.333437286,0.949016922,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,4.742394891,0.478874121,7.179925155,1.393915343,0.703734255,1.284689051,1.32069706,1.0750388,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,4.742614261,2.028469008,18.52213658,5.704235347,4.56012436,4.960602108,7.665380581,2.609673611,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,4.742418226,0.734814978,8.713747116,1.851352821,1.207252641,1.899114317,2.193650838,1.237158573,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,4.742765618,2.77568718,25.19113572,8.681918633,6.891162689,6.707381819,11.34308938,3.672472691,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.382118359,4.050602643,1.030788426,11.15558879,3.130429896,2.263552644,3.019410176,3.4308531,1.898104156,1.609735553,0.054807146,0.379869114,2.71E-15,3.72E-51,9.85E-109,5.04E-188,4.96E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.530987441,1.130475171,0.585893788,0.672907874,0.215437086,0.502955739,0.441794109,0.476528345,5.247356401,6.722815623,14.30888053,0.509361811,1.421278192,2.800335673,0.662709071,0.186421833,0.767327393,0.181590667,0.316342548,0.151864066,0.048341475,3.649466577,2.501395002,6.496824681,0.650991089,0.516548089,3.104930242,0.85771042,0.35295523,0.719467327,0.198746695,0.388902842,0.254354483,0.173130621,4.315595892,4.06176577,9.317327685,0.579200991,0.816387946,3.514285046,1.119782124,0.576762135,0.674419529,0.214895184,0.498208796,0.433478008,0.461808737,5.210829306,6.607988051,14.08851108,0.511629294,1.393495541,3.234374,0.940580857,0.423726457,0.703326406,0.204532733,0.422005291,0.305865677,0.24943162,4.598681315,4.811229101,10.69896692,0.554989609,0.977302588,3.582861247,1.16368535,0.61425458,0.668344363,0.217073029,0.517842155,0.468125647,0.523712993,5.360801177,7.084911129,15.00673814,0.502516544,1.509680795,3.525773615,1.121449447,0.57737462,0.674841171,0.214648001,0.501471515,0.434727232,0.46240831,5.224597682,6.63716552,14.14468909,0.512261756,1.398607057 +UMLRON0022,L,3-Methylpentane,CCC(C)CC,7282,,"Sandia, UML",[1],C6H14,PubChem,,74.5,0,-0.0916,0.00839056,26.2418,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,890.291353,994.748085,870.627836,366.161209,84.835296,9.144576,0,0,2644.81273,3144.163273,3730.992294,3300.918427,2187.299827,1061.424631,279.7536999,0,0,118.238936,111.372268,196.083876,224.83136,162.4177,123.32736,60.466176,0,0,19.03383305,23.6303831,30.19190358,26.8663499,18.91140264,12.01662072,4.001516144,0,0,2668.599586,2191.74623,4310.126609,5051.249777,3508.796101,3137.747111,1664.258868,0,0,74.27777778,40.66666667,61.58333333,90,67,24,9,0,0,61.71557788,59.35275687,36.84252167,29.02092787,17.43624805,4.713072,1.016064,0,0,165.3007956,209.6108849,138.1848998,110.0306142,104.1571346,58.96803508,31.08374443,0,0,7.3899335,7.424817867,7.262365778,7.494378667,7.73417619,6.85152,6.718464,0,0,1.189614566,1.575358873,1.118218651,0.895544997,0.900542983,0.66759004,0.444612905,0,0,166.7874742,146.1164153,159.6343189,168.3749926,167.0855286,174.3192839,184.917652,0,0,4.642361111,2.711111111,2.280864198,3,3.19047619,1.333333333,1,0,0,0.121814595,-0.04685184,-0.00114821,0.022286212,-0.041555333,0.00141182,0.004950053,0,0,523.7576238,-43.92541314,19.66342755,-17.48234203,-448.16645,55.73680828,172.2951575,0,0,766.4429154,-94.95499335,-135.8422519,3.347559966,-429.21663,24.45906343,248.9857942,0,0,1.03666,-0.00156025,0.12109675,-0.2438865,-0.64215875,0.1301865,0.11799225,0,0,3.391946473,-0.464107523,-1.103534916,-0.035208955,-0.953855384,-0.072147893,0.932881435,0,0,18.82152525,-2.587911668,-6.817934048,-0.398101339,-3.739946444,-0.655669353,4.788800225,0,0,33.10416667,-0.94140625,1.126302083,-4.4453125,-18.52213542,2.9453125,3.28515625,0,0,0.007613412,-0.003123456,-4.25E-05,7.43E-04,-0.001978825,7.84E-05,5.50E-04,0,0,32.73485148,-2.928360876,0.728275094,-0.582744734,-21.34125953,3.096489349,19.14390639,0,0,47.90268221,-6.33033289,-5.031194516,0.111585332,-20.43888714,1.358836857,27.66508825,0,0,0.06479125,-1.04E-04,0.004485065,-0.00812955,-0.030578988,0.007232583,0.01311025,0,0,0.211996655,-0.030940502,-0.040871664,-0.001173632,-0.045421685,-0.004008216,0.103653493,0,0,1.176345328,-0.172527445,-0.252516076,-0.013270045,-0.178092688,-0.036426075,0.532088914,0,0,2.069010417,-0.062760417,0.041714892,-0.148177083,-0.882006448,0.163628472,0.365017361,0,0,-0.41025705,-0.005585705,0.097574349,-0.259913078,0.010302143,0.072241713,0,0,-0.089456978,0.022247698,-0.017801967,-0.651943069,0.094593047,0.584817267,0,0,-0.132149863,-0.105029495,0.002329417,-0.426675213,0.028366613,0.577526914,0,0,-0.001605412,0.06922331,-0.125472961,-0.471961694,0.111629014,0.202345996,0,0,-0.145948065,-0.192793908,-0.005536087,-0.214256612,-0.018906979,0.488939285,0,0,-0.146663943,-0.21466152,-0.011280739,-0.151394904,-0.030965461,0.452323736,0,0,-0.030333543,0.02016176,-0.071617369,-0.426293866,0.079085379,0.176421229,0,0,1.112294186,0.753907397,1.322330111,1.939287326,0.142508351,0,0,0,1.170927332,0.915782169,1.0221277,1.744973288,0.5778723,0,0,0,1.491123972,1.167254118,0.865674557,1.282342121,0.734325443,0,0,0,0.512040592,0.530805128,1.542806706,2.413046294,0.057193294,0,0,0,1.594610489,1.277272841,0.858225113,1.071227362,0.741774887,0,0,0,1.599979575,1.293653979,0.873848345,1.037403276,0.726151655,0,0,0,0.5437382,0.570589469,1.496538704,2.389643082,0.075519194,0,0,0,19.29932374,9.774661868,15.01072985,19.4659904,3.244331734,9.774820931,0.25,3.33E-16,5.55E-17,-21.38291297,3000004.229,500000.7049,8.948474554,19.30096098,9.775113281,15.01118126,19.46713803,3.244523006,9.775272238,0.249265579,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,20.7602287,10.18061711,15.41668509,20.49423238,3.415705396,10.1807103,-0.398994478,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,19.30267932,9.775587063,15.01165504,19.46834252,3.244723754,9.775745909,0.2484948,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,22.32264738,10.62017656,15.85624454,21.60111787,3.600186312,10.62023331,-1.082294264,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,19.47089839,9.822016289,15.05808427,19.58632118,3.264386864,9.8221648,0.173134186,4.44E-16,7.40E-17,-21.21030373,3000004.229,500000.7049,8.948474554,21.00213768,10.5864852,16.55441543,21.22478318,3.537463863,10.58656669,0.667936508,5.55E-16,9.25E-17,-21.07641759,3000004.121,500000.6869,8.948474532,0,11.89,15.99491589,-0.299207371,0.132157162,4.115246586,6.38851633,5,15,14,14,4,1,1,0,0,1,11.89007,3.529364191,2.902564078,2.477573932,1.598026915,1.536231436,0.083923071,0.083923071,0.083923071,1.81693578,1.563026335,1.040992466,0.769718516,0.185366199,0.083923071,0.083923071,0.083923071,3.480718849,2.950308951,2.395804565,1.695309721,1.454167953,0.270913902,0.270913902,0.270913902,1.78899117,1.473453684,0.994195658,0.630337185,0.290877631,0.270913902,0.270913902,0.270913902,3.630111587,3.155598408,2.698537678,2.090117344,1.918490877,0.943918427,0.943918427,0.943918427,1.596575217,1.195492746,0.637635093,0.162386152,0.205569803,0.943918427,0.943918427,0.943918427,3.479566225,2.985267979,2.397059765,1.765276817,1.448674341,0.399277246,0.399277246,0.399277246,1.77469341,1.415133181,0.971268459,0.536857124,0.300544449,0.399277246,0.399277246,0.399277246,3.663832748,3.252217518,2.766423375,2.26277616,2.014962604,1.207644823,1.207644823,1.207644823,1.558123915,1.104407163,0.559045449,0.004703131,0.296626356,1.207644823,1.207644823,1.207644823,4.765436337,3.182088119,3.070113665,2.092021706,1.845131773,0.576923077,0.576923077,0.576923077,1.64035426,1.31731694,0.677590926,0.424851574,0.451475947,0.576923077,0.576923077,0.576923077,0,0,0,1,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.102062073,0,0,0,0.577350269,0.288675135,0,0.204124145,0.102062073,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.322461853,2.325444489,1.245781916,0.788675135,0.25,0,0,0,0.720410309,0.465088898,0.249156383,0.197168784,0.25,0,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,1.3755,25.589,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,29,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,2,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18055556,0.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.414583333,0.802777778,0,0,0,0,0,0,0,0,0,0,3.761574074,0,1.381944444,0,0,0,0,0,0,0.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18055556,0.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305902778,0.401388889,0,0,0,0,0,0,0,0,0,0,1.880787037,0,0.690972222,0,0,0,0,0,0,0.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18055556,0.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,1.880787037,0,0.690972222,0,0,0,0,0,0,0.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.66666667,2.611111111,0.565972222,10.18055556,0.305902778,0.342592593,2.242791667,1.324074074,3.180555556,6.361111111,1.324074074,3.180555556,6.361111111,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.42,0.49792,0.82778,0.07792,0,-0.07792,0,0.57047,0.14382,0,0.47059,0.17647,0,4.25,0.70833,2.75,0.45833,1.5,0.25,-1.25,-0.20833,0,0,4.0123,0.66872,5.73058,1.71827,0.28638,2.11989,0.35332,2.80805,0.68816,0.11469,0.10595,0.01766,0.10595,0.01766,0,5.01,1,1,1,1,0,0,0.8,1.198192411,1.673794941,2.280639062,2.280639062,2.030639062,1.405639062,19.17107858,26.78071905,36.490225,36.490225,32.490225,22.490225,0.299548103,0.418448735,0.570159766,0.570159766,0.507659766,0.351409766,2.801807589,2.326205059,1.719360938,1.719360938,1.969360938,2.594360938,0.299548103,0.418448735,0.570159766,0.570159766,0.507659766,0.351409766,10.71860945,16.4258398,17.0374325,17.0374325,14.0374325,5.538703846,21.96987352,16.73794941,17.68383437,17.68383437,16.18383437,9.683834373,6,3.2,3,6,1,5,1.9,0.8288,0.25,2.309401077,1,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,2.889,5,4,1,0,0,0,0,0,0,21,1.945910149,2.079441542,1.945910149,0.693147181,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,17.07,101.1901498,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,86.07316494,5.379572809,10.6758508,1.779308466,2.382088123,2.382088123,0,31,4,0.691,20,1.2268,2.113225145,2.881069561,3.66165106,4.849506123,5.576750225,0,0,0,0,82.78024119,87.84321781,90.32024396,72.23614155,24.31059591,5.66633514,0,0,0,0,280.7281514,315.7100173,339.7025475,417.6081892,296.9364431,173.3462787,0,0,0,0,9.137724337,15.45570288,21.67110994,27.91482528,33.27883679,37.46719562,0,0,0,0,2.061570699,2.494368346,2.721343388,3.606202846,3.325208516,2.479495117,0,0,0,0,177.2249115,333.5421404,481.803957,599.2999852,841.1926885,1031.239558,0,0,0,0,3.387355556,5.102432217,8.738726104,10.81632399,6.597152447,5.576750225,0,0,0,0,0.444136,0.564185069,0.654323225,0.847186112,0.737065561,0.571059223,0,0,0,0,361.7357736,150.5273918,8.838467475,112.1228119,-46.65713392,-16.11898578,249.6129617,197.1845258,24.95745325,0.763383391,0.31766311,0.018652121,0.236616609,-0.098462147,-0.034016448,171.411602,71.32869696,4.188183695,53.13035702,-22.10888348,-7.638119799,0.317445579,0.718996088,1.916781192,28.56428822,434.1305692,39.72801619,0.916160607,0.083839393,382.2140291,19.55029486,7.257196369,479.08439,21.88799648,7.824753652,600.3702575,24.50245411,8.436061226,1.82357629,1.82357629,286.2627527,242.3215375,57.34137837,1.181334336,4.992254475,4.225945459,3.401132177,3.18658557,6.373000728,0.999946522,2.80222057,3.881220796,3.389000868,3.431434815,5.005109631,1.493272558,1.524104152,6.853571643,3.786068662,2.422102693,0.664724983,0.398625262,1.69E-17,1.38E-55,2.18E-115,6.62E-197,3.88E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,0.251664719,3.88108081,0.305159989,3.186500485,0.242732081,0.166846517,0.289850225,0.431331026,0.284882348,0.198323918,0.004681716,0.00280755,1.19E-19,9.72E-58,1.53E-117,4.66E-199,2.73E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765026468,3.88097264,0.697310007,2.81279,0.652547998,0.289097433,0.433227179,1.487169917,0.518838251,0.643473091,0.048787062,0.029256839,1.24E-18,1.01E-56,1.60E-116,4.86E-198,2.85E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650178473,3.881263869,3.752644362,3.633910491,5.090024745,1.87524555,1.410138872,6.370168763,3.401668964,2.282861489,0.592257995,0.355167932,1.51E-17,1.23E-55,1.94E-115,5.90E-197,3.46E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,1.11993283,3.88094414,0.875624881,2.700984587,0.954946801,0.286358144,0.563884848,2.287707956,0.822174651,0.951658479,0.105972009,0.063549764,2.69E-18,2.20E-56,3.47E-116,1.06E-197,6.19E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,3.384110175,3.881356617,4.65805531,3.734833751,7.195091052,2.180877781,1.989672439,8.745853301,5.402417605,2.941173488,0.969438904,0.581357482,2.46E-17,2.01E-55,3.17E-115,9.65E-197,5.66E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,1.722243656,3.545758576,5.049745747,5.311822684,5.069256512,3.477163403,0.758959888,3.27646737,1.519819616,1.590931877,0.221247236,0.132678527,5.62E-18,4.60E-56,7.24E-116,2.20E-197,1.29E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,4.234506067,0.837833893,0.415503769,0.771615643,0.152670873,0.610595333,0.514900176,0.499980711,5.487843729,5.655389071,12.61736235,0.657423464,1.62547622,2.737579057,0.636132154,0.077800227,0.793153697,0.184305388,0.255202041,0.296822176,0.017529319,3.451511438,2.003937561,5.590935143,0.689730545,0.569553536,3.496473305,0.626853801,0.21380166,0.806172354,0.144531978,0.41630212,0.288230409,0.13238094,4.337128766,3.073351762,7.879086214,0.70925853,0.83691347,4.109506912,0.854643153,0.397925649,0.766402254,0.159386625,0.57507904,0.535768183,0.458571628,5.362075714,5.487524578,12.24717961,0.649603381,1.569418852,3.821041305,0.648995121,0.280208577,0.804388258,0.136623505,0.497177407,0.308951269,0.227387279,4.750245002,3.732379708,9.177496352,0.706582388,1.033515955,4.301661354,0.8735015,0.439055472,0.76620842,0.155587376,0.630115863,0.559673213,0.558267188,5.614218326,6.029691213,13.29366383,0.64931263,1.748056264,4.110042352,0.858106769,0.397230173,0.766030159,0.159934037,0.575228932,0.540119604,0.456970088,5.365379294,5.500353897,12.26670648,0.649045238,1.572318624 +UMLRON0023,L,3-Pentanone,CCC(=O)CC,7288,"Co-optima vals are experimental, not predicted",Sandia,,C5H10O,PubChem,,106.8,0,0.0686,0.00470596,23.2621,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,1010.869782,1283.317231,646.831922,149.520672,12.192768,0,0,0,2914.106344,3917.940807,5706.410083,4650.250206,2017.711008,373.0049332,0,0,0,125.864664,130.65468,256.400764,342.025544,259.293312,80.621568,0,0,0,22.06875486,30.09593172,47.13256515,45.20468587,23.58460444,5.335354858,0,0,0,2979.777961,2598.236709,5550.680106,8054.455437,6708.919734,2219.011824,0,0,0,26.77777778,32.75,56.08333333,68.33333333,45,12,0,0,0,48.76541633,56.15943233,35.64770086,13.20065147,3.934754526,1.016064,0,0,0,161.8947969,217.6633782,158.5113912,94.90306543,53.0976581,31.08374443,0,0,0,6.992481333,7.258593333,7.122243444,6.980113143,6.823508211,6.718464,0,0,0,1.226041937,1.671996207,1.309237921,0.92254461,0.620647485,0.444612905,0,0,0,165.54322,144.3464838,154.1855585,164.3766416,176.5505193,184.917652,0,0,0,1.487654321,1.819444444,1.55787037,1.394557823,1.184210526,1,0,0,0,0.024452519,-0.001407267,-0.00588181,-0.017389551,0.005112838,0.007339531,0,0,0,484.264036,4.90E-13,-121.066009,-390.1015846,107.6142302,161.4213453,0,0,0,900.5096538,2.98E-13,-225.1274134,-725.4105544,200.1132564,300.1698846,0,0,0,0.094864,1.36E-15,-0.023716,-0.076418222,0.021080889,0.031621333,0,0,0,4.025697139,2.94E-15,-1.006424285,-3.242922696,0.894599364,1.341899046,0,0,0,21.86765075,6.53E-14,-5.466912688,-17.61560755,4.859477945,7.289216918,0,0,0,1.49382716,-0.435185185,-0.015432099,-0.714677641,0.006858711,0.411522634,0,0,0,0.001358473,-7.82E-05,-1.63E-04,-3.55E-04,1.35E-04,6.12E-04,0,0,0,26.90355756,2.72E-14,-3.362944694,-7.961256828,2.831953427,13.45177878,0,0,0,50.0283141,1.66E-14,-6.253539262,-14.80429703,5.266138326,25.01415705,0,0,0,0.005270222,7.55E-17,-6.59E-04,-0.001559556,5.55E-04,0.002635111,0,0,0,0.223649841,1.63E-16,-0.02795623,-0.066182096,0.023542089,0.111824921,0,0,0,1.214869486,3.63E-15,-0.151858686,-0.359502195,0.127880999,0.607434743,0,0,0,0.082990398,-0.024176955,-4.29E-04,-0.014585258,1.80E-04,0.034293553,0,0,0,-0.057551019,-0.120270016,-0.261240913,0.099043808,0.45023158,0,0,0,1.01E-15,-0.125,-0.295918367,0.105263158,0.5,0,0,0,3.31E-16,-0.125,-0.295918367,0.105263158,0.5,0,0,0,1.43E-14,-0.125,-0.295918367,0.105263158,0.5,0,0,0,7.31E-16,-0.125,-0.295918367,0.105263158,0.5,0,0,0,2.99E-15,-0.125,-0.295918367,0.105263158,0.5,0,0,0,-0.291322314,-0.005165289,-0.175746332,0.002174859,0.41322314,0,0,0,1.473090791,1.237401176,1.202533058,0.604472112,0.003655279,0,0,0,1.416666667,1.298611111,1.214285714,0.559210526,0,0,0,0,1.416666667,1.298611111,1.214285714,0.559210526,0,0,0,0,1.416666667,1.298611111,1.214285714,0.559210526,0,0,0,0,1.416666667,1.298611111,1.214285714,0.559210526,0,0,0,0,1.416666667,1.298611111,1.214285714,0.559210526,0,0,0,0,1.773760331,0.922004132,1.154790015,0.823564593,0,0,0,0,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,19.31946284,9.613435124,14.17999247,19.25773445,3.209622408,9.613610387,-0.092592593,0.030784955,0.005130826,-2.088437505,42.46516056,7.07752676,2.249210393,0,11.9,12.1000824,-0.151386681,0.048709419,5.658995554,7.448506275,6,18,18,18,6,0,0,0,0,0,13.118484,3.627101149,2.781418157,2.459820995,1.995857275,1.19006016,0.939129545,0.083923071,0.083923071,1.803483423,1.724171079,1.226892172,0.757863935,0.621200126,0.356238123,0.083923071,0.083923071,3.652027279,2.827185891,2.510897621,2.069299418,1.30885592,1.065160977,0.270913902,0.270913902,1.74157494,1.655976007,1.117615365,0.62194973,0.476079793,0.194747858,0.270913902,0.270913902,3.761432789,3.028373609,2.734801489,2.377097536,1.778468089,1.560463307,0.943918427,0.943918427,1.560904806,1.452583651,0.767027153,0.172849073,0.010166862,0.366071564,0.943918427,0.943918427,3.670376732,2.860960277,2.548571849,2.122681568,1.39352899,1.154824297,0.399277246,0.399277246,1.702261215,1.612285733,1.045523917,0.531260614,0.378767248,0.085181511,0.399277246,0.399277246,3.814659654,3.125134419,2.841861735,2.516843435,1.978039144,1.769475288,1.207644823,1.207644823,1.505142931,1.38842831,0.648284366,0.016182923,0.182659309,0.575234484,1.207644823,1.207644823,3.683113856,3.004731084,2.602772128,2.24669346,1.550284617,1.306777667,0.642857143,0.642857143,1.648721688,1.561175749,0.840257381,0.377595282,0.212437591,0.102957736,0.642857143,0.642857143,0,0,0,0,0,1,4,1,0,0,0,0.144337567,0.144337567,0,0,0,0.144337567,0.144337567,0,0.288675135,0,0,0,0.288675135,0,0,0,0.40824829,0.433012702,0,0.40824829,0.433012702,0,4.405777394,2.89384685,2.389628766,1.64384685,1.129936127,0.288675135,0,0,0.734296232,0.482307808,0.341375538,0.234835264,0.161419447,0.144337567,0,0,4.405777394,2.89384685,2.389628766,1.64384685,1.129936127,0.288675135,0,0,0.734296232,0.482307808,0.341375538,0.234835264,0.161419447,0.144337567,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.1965,27.632,18.09925825,25.29161865,36.19851651,6.033086084,18.09925827,0.064833572,0.010805595,-1.641559038,30.97618464,5.16269744,2.059931203,29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,1,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,2.340277778,0,5.946759259,0,0,0,1.046296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.340277778,0,1.486111111,0,0,0,1.046296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.340277778,0,1.487268519,0,0,0,1.046296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.333333333,1.555555556,0.2,2.340277778,0.2,1.046296296,4.322013889,0.287037037,0.340277778,0.680555556,0.287037037,0.340277778,0.680555556,3,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.16667,0.16667,0,3,0.5,3,0.5,0,0,-3,-0.5,0,0,5.2306,0.87177,5.2306,0,0,2.89384,0.48231,2.89384,0,0,0.02016,0.00336,0.10616,0.01769,0.277777778,6,0,0,0,0,0,0,1,0.918295834,1.335505557,2.350209029,2.683542362,2.281036113,2.169925001,16.52932501,24.03910002,42.30376252,48.30376252,41.05865003,39.05865003,0.220218789,0.320270882,0.563609424,0.643546913,0.547020896,0.520375067,3.251629167,2.834419445,1.819715972,1.486382639,1.888888889,2,0.220218789,0.320270882,0.563609424,0.643546913,0.547020896,0.520375067,6.73287657,11.73939324,15.20474235,14.31933125,11.47096983,15.02304759,23.69925001,19.03258335,16.91696043,18.0614882,21.58596668,17.3216389,4.166666667,1.632653061,0.979591837,0,0,0,2.12,0.8454,0,1.632993162,1,0,4.242640687,2.828427125,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,2.896,7,7,7,2,0,0,0,0,0,35,1.945910149,2.079441542,2.079441542,2.079441542,1.098612289,0,0,0,0,0,3.583518938,1,0.333333333,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,0,2,3,0.5,1,0.444444444,0.222222222,0,0,0,0,0,0,0,0.166666667,0.063492063,0.111111111,0,0,0,0,0,0,0,0.341269841,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,0,99.97590776,3.584962501,3.295836866,4.007333185,4.762173935,5.493061443,6.251903883,6.989335266,7.747164967,8.487764381,9.243871855,68.27844578,2.564949357,0,3.713572067,2.397895273,5.017279837,4.442651256,6.385194399,6.224558429,7.788626066,8.245646901,84.09390038,4.671883355,11.57549817,1.929249695,0,0,0,26,2,3.353,26,1.3586932,2.428984679,3.271862156,3.991625748,5.189420775,0,0,0,0,0,97.95016178,98.62149702,49.38424622,17.81665479,5.272783631,0,0,0,0,0,346.3145629,419.9486792,329.9106066,227.8648601,161.3066291,0,0,0,0,0,9.931467889,17.38122318,22.88883808,27.31285149,34.86493666,0,0,0,0,0,2.546145545,3.394988746,3.142064218,2.604688044,2.307283445,0,0,0,0,0,191.8101477,368.6273274,534.0577669,698.6730895,959.6155051,0,0,0,0,0,2.567627536,3.911829643,4.653612384,4.864094394,5.189420775,0,0,0,0,0,0.524969925,0.712688638,0.678296408,0.579466197,0.531396687,0,0,0,0,0,278.5608318,86.7152713,7.192341103,52.17331277,-16.24141823,-2.811746998,226.387519,102.9566895,10.0040881,0.842249996,0.26219026,0.021746594,0.157750004,-0.049107171,-0.008501532,92.12957842,28.67970108,2.378752782,17.25549597,-5.371591565,-0.929940738,0.095192775,0.200185818,1.764709987,1.957923523,330.7341446,0,1,0,278.2605624,16.68114392,6.52855729,394.5049954,19.86214982,7.334167691,424.0305469,20.59200201,7.512751918,1.191705026,1.076059949,286.3080235,231.5463709,101.1755765,1.236504042,2.829813612,2.288559937,3.754010772,3.828720141,6.541971623,0.708657562,3.346806641,2.544377909,1.779518247,9.595076347,8.74986651,7.112944536,6.789601352,7.741810796,1.686768364,0.524670838,0.944758256,0.838482379,7.74E-10,1.38E-40,4.74E-93,3.14E-167,4.01E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,0.28087429,2.544148414,0.721231225,3.239067057,0.714704912,1.152216656,0.334632323,0.306574633,0.072300705,0.043520549,0.006655236,0.0059055,5.45E-12,9.71E-43,3.34E-95,2.21E-169,2.83E-265,0,0,0,0,0,0,0,0,0,0,0,0,0,0.906696446,2.544164222,0.889488835,4.22006804,1.614829964,1.760641046,1.150106132,1.093093333,0.279015323,0.140826638,0.06934306,0.061539863,5.68E-11,1.01E-41,3.48E-94,2.30E-168,2.95E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,3.15911246,2.544352879,1.697834296,9.094035583,7.996164145,6.532841168,6.216798295,7.027966705,1.544477688,0.494894316,0.841763441,0.747072704,6.90E-10,1.23E-40,4.22E-93,2.80E-167,3.58E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336303737,2.544184289,1.019173738,4.987438988,2.452465662,2.358918392,1.858994045,1.850113721,0.457389984,0.207893508,0.150619377,0.133672805,1.23E-10,2.20E-41,7.55E-94,5.01E-168,6.40E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041753714,2.544483048,2.101141717,11.57729338,11.83773628,9.505140417,9.112123863,10.678548,2.262945585,0.635284194,1.377837127,1.222847749,1.13E-09,2.01E-40,6.91E-93,4.58E-167,5.85E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,2.228358503,2.437120525,1.178062917,6.53531874,4.533551727,3.674582771,3.618009523,3.815306312,1.013587673,0.336321419,0.390442391,0.346515677,3.20E-10,5.70E-41,1.96E-93,1.30E-167,1.66E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,3.218139162,1.447190077,0.756691454,0.593531332,0.26690973,0.473218493,0.399646098,0.417485904,5.422020693,8.187473826,17.13360265,0.390296997,1.290350495,2.482296311,0.927319894,0.27647492,0.673422394,0.251572699,0.280498639,0.163795514,0.056148188,3.686091125,3.244556118,7.567060092,0.510133592,0.500442342,2.774309778,1.133844984,0.467391241,0.634048819,0.259132228,0.350879392,0.245084189,0.160033705,4.375546003,4.972274531,10.81806382,0.451073229,0.755997285,3.199899226,1.434323852,0.744820889,0.594882519,0.266650331,0.467824239,0.392558481,0.40457288,5.379043968,8.04135794,16.83890022,0.392323779,1.264955599,2.904579064,1.22587839,0.552406966,0.620256921,0.261779603,0.384861349,0.286576155,0.223252422,4.68286442,5.842354175,12.49215237,0.430385381,0.894689925,3.275250023,1.487469768,0.793849553,0.589437442,0.267695709,0.490312008,0.422245372,0.459197977,5.556569345,8.652718372,18.07679207,0.384156164,1.371755357,3.211726985,1.435837568,0.747144521,0.595347579,0.266156626,0.471374451,0.393414251,0.406748224,5.394709074,8.083920654,16.92410033,0.393021368,1.271536927 +UMLRON0024,L,Methylcyclopentane,CC1CCCC1,7296,[9] has RON of 89.3; co-opt are predicted,"Sandia, UML",[1],C6H12,PubChem,,91.3,0,-0.7176,0.51494976,21.4511,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,1082.455342,1389.632131,596.232338,135.295776,12.192768,0,0,0,2644.81273,3446.892775,4755.848717,3546.267141,1582.538586,373.0049332,0,0,0,118.238936,121.406152,235.752484,275.48372,165.234816,80.621568,0,0,0,19.03383305,24.9697231,36.14876604,31.80430832,17.36002377,5.335354858,0,0,0,2668.599586,2345.089558,4929.104368,6250.646341,4120.072605,2219.011824,0,0,0,34.77777778,35.41666667,65.41666667,66.33333333,31,12,0,0,0,61.71557788,67.65345887,44.82684294,16.11438751,5.637324,1.016064,0,0,0,165.3007956,215.4307984,153.4144747,95.84505787,65.93910774,31.08374443,0,0,0,7.3899335,7.5878845,7.604918839,7.445505946,6.884784,6.718464,0,0,0,1.189614566,1.560607694,1.166089227,0.8595759,0.723334324,0.444612905,0,0,0,166.7874742,146.5680974,159.0033667,168.9363876,171.6696919,184.917652,0,0,0,2.173611111,2.213541667,2.110215054,1.792792793,1.291666667,1,0,0,0,0.166066451,-0.040313505,-0.022763373,-0.049256073,0.016216016,0.013083709,0,0,0,523.7576238,26.4309685,-72.68295589,-423.3849433,-21.96875788,229.7268767,0,0,0,766.4429154,-57.19330087,-170.8570671,-361.9267249,-125.2254238,331.981059,0,0,0,1.03666,0.035866,-0.19612625,-0.65370875,0.138316,0.157323,0,0,0,3.391946473,-0.591328798,-1.012917554,-0.593401353,-0.742167445,1.243841913,0,0,0,18.82152525,-3.792909478,-6.033480688,-1.68412369,-4.285315738,6.385066966,0,0,0,6.333333333,-0.583333333,0.083333333,-4.333333333,0.333333333,1.333333333,0,0,0,0.010379153,-0.002519594,-7.34E-04,-0.001331245,6.76E-04,0.001090309,0,0,0,32.73485148,1.651935531,-2.34461148,-11.44283631,-0.915364911,19.14390639,0,0,0,47.90268221,-3.574581304,-5.511518293,-9.781803377,-5.21772599,27.66508825,0,0,0,0.06479125,0.002241625,-0.006326653,-0.017667804,0.005763167,0.01311025,0,0,0,0.211996655,-0.03695805,-0.03267476,-0.016037874,-0.030923644,0.103653493,0,0,0,1.176345328,-0.237056842,-0.194628409,-0.045516856,-0.178554822,0.532088914,0,0,0,0.395833333,-0.036458333,0.002688172,-0.117117117,0.013888889,0.111111111,0,0,0,-0.242755263,-0.070747809,-0.128261448,0.065098504,0.105047981,0,0,0,0.050464122,-0.07162432,-0.349561271,-0.027963008,0.584817267,0,0,0,-0.074621736,-0.11505657,-0.20420158,-0.108923462,0.577526914,0,0,0,0.03459765,-0.097646723,-0.272688118,0.088949768,0.202345996,0,0,0,-0.174333175,-0.154128658,-0.075651545,-0.145868545,0.488939285,0,0,0,-0.201519772,-0.165451764,-0.038693448,-0.15178776,0.452323736,0,0,0,-0.092105263,0.006791171,-0.295874822,0.035087719,0.280701754,0,0,0,1.168142891,1.442604439,1.471256872,0.078869831,0.021632994,0,0,0,1.111978186,1.172310048,1.311636988,0.722340375,0,0,0,0,1.418997242,1.177601433,1.047584768,0.917906804,0,0,0,0,0.852838684,1.449910164,1.613285599,0.071491617,0,0,0,0,1.599066754,1.241898906,0.909805926,0.927218609,0,0,0,0,1.638427349,1.268474708,0.883186401,0.907689569,0,0,0,0,1.019736842,1.264855688,1.566500711,0.271381579,0,0,0,0,16.01699491,8.133497453,11.88465401,16.18366157,2.697276929,8.134370591,0.25,0.055117943,0.009186324,-1.738967983,44.3564553,7.392742549,2.275354951,16.02168512,8.13547535,11.88765305,16.18786217,2.697977029,8.136346484,0.249265579,0.055156143,0.00919269,-1.738552295,44.49274278,7.415457129,2.277195655,20.34592842,9.97346697,14.99135977,20.0799321,3.34665535,9.973590444,-0.398994478,0.021451743,0.003575291,-2.305169623,36.16622678,6.027704464,2.152875433,16.02660813,8.137551465,11.89080232,16.19227133,2.698711888,8.138420501,0.2484948,0.055195872,0.009199312,-1.73812027,44.63769084,7.439615139,2.279147153,25.49126936,12.05574402,18.78311743,25.13050461,4.188417435,12.05576111,-1.082294264,0.038544704,0.006424117,-1.953561948,27.94976166,4.65829361,1.998245203,16.51085255,8.34199337,12.20708728,16.62627535,2.771045891,8.34268074,0.173134186,0.057424239,0.009570707,-1.714373266,121.9707428,20.32845713,2.882268721,15.52983281,7.960125143,11.81274136,15.76667886,2.627779809,7.961318891,0.460714286,0.066070199,0.0110117,-1.630222491,31.14739418,5.191232363,2.063238353,0,11.99687761,15.99741729,-0.400029819,0.070027864,5.265493364,6.661509119,6,16,16,16,6,0,0,0,0,0,12.84807,3.592237584,2.781344608,2.333548603,1.906124728,1.115103822,0.593151971,0.083923071,0.083923071,1.76558814,1.579800051,1.124699913,0.629404145,0.470374741,0.083923071,0.083923071,0.083923071,3.549552421,2.827024021,2.301276039,1.872585929,1.214691833,0.455068315,0.270913902,0.270913902,1.705877938,1.562611512,1.043644104,0.485817241,0.352879148,0.270913902,0.270913902,0.270913902,3.71134339,3.028135012,2.592110985,2.244261009,1.696263144,1.096116116,0.943918427,0.943918427,1.51132652,1.299046955,0.670938686,0.00341635,0.15992107,0.943918427,0.943918427,0.943918427,3.549975424,2.860754453,2.326287799,1.889027594,1.294051301,0.431947622,0.399277246,0.399277246,1.670923055,1.551218672,0.98662128,0.389952927,0.276702511,0.399277246,0.399277246,0.399277246,3.748067959,3.124761748,2.690986598,2.354834663,1.890222761,1.208341272,1.207644823,1.207644823,1.454127995,1.249920815,0.560039893,0.176117501,0.318366389,1.207644823,1.207644823,1.207644823,3.80200412,3.000550363,2.671019626,2.243162725,1.500256096,1.148906867,0.638297872,0.638297872,1.607404101,1.317357791,0.752545279,0.222810548,0.040250163,0.638297872,0.638297872,0.638297872,0,0,0,0,0,2,3,0,0,0,0,0.144337567,0.144337567,0,0,0,0.083333333,0.083333333,0,0.288675135,0,0,0,0.166666667,0,0,0,0.40824829,0.433012702,0,0.23570226,0.25,0,4.405777394,2.89384685,2.389628766,1.64384685,1.129936127,0.288675135,0,0,0.734296232,0.482307808,0.341375538,0.234835264,0.161419447,0.144337567,0,0,4.106918903,2.509975955,1.823636555,1.157356904,0.738641942,0.166666667,0,0,0.684486484,0.418329326,0.260519508,0.165336701,0.105520277,0.083333333,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,1.1853,24.648,18.09925825,25.29161865,36.19851651,6.033086084,18.09925827,0.064833572,0.010805595,-1.641559038,30.97618464,5.16269744,2.059931203,29,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,1,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.833333333,0,0,0,0,0,0,0,0,0,0,0,2.118055556,0,3.516203704,0,0,0,0.546296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,2.118055556,0,0.987268519,0,0,0,0.546296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.118055556,0,1.265046296,0,0,0,0.546296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.33333333,1.888888889,0.45,5.152777778,0.166666667,0.546296296,2.841986111,0.787037037,1.652777778,3.541666667,0.787037037,1.652777778,3.541666667,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.43333,0.49792,0.82778,0.06458,0,-0.06458,0,0.57047,0.14382,0,0.17647,0.17647,0,3.5,0.58333,3.5,0.58333,0,0,-3.5,-0.58333,0,0,4.36053,0.72676,5.2306,0.87007,0.14501,2.40981,0.40163,2.89384,0.48403,0.08067,0.02016,0.00336,0.10616,0.01769,0.3125,6.01,1,1,1,1,0,0,1,1.198192411,1.798794941,3.077819531,3.327819531,3.327819531,3.327819531,19.17107858,28.78071905,49.2451125,53.2451125,53.2451125,53.2451125,0.299548103,0.449698735,0.769454883,0.831954883,0.831954883,0.831954883,2.801807589,2.201205059,0.922180469,0.672180469,0.672180469,0.672180469,0.299548103,0.449698735,0.769454883,0.831954883,0.831954883,0.831954883,10.71860945,17.9258398,20.58889467,20.84085093,20.84085093,20.84085093,21.96987352,15.23794941,13.85845859,13.35845859,13.35845859,13.35845859,4.166666667,1.632653061,0.979591837,0,0,0,1.9,0.7632,0,1.144714243,1,0,2.381101578,1.889881575,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.42,0.414,0.423,0.246,2.756,7,7,7,2,0,0,0,0,0,35,1.945910149,2.079441542,2.079441542,2.079441542,1.098612289,0,0,0,0,0,3.583518938,1,0.333333333,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0.166666667,0,2,3,0.5,1,0.444444444,0.222222222,0,0,0,0,0,0,0,0.166666667,0.063492063,0.111111111,0,0,0,0,0,0,0,0.341269841,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,9.23,91.47014983,3.584962501,3.295836866,4.007333185,4.762173935,5.493061443,6.251903883,6.989335266,7.747164967,8.487764381,9.243871855,68.27844578,2.564949357,0,3.713572067,2.397895273,5.017279837,4.442651256,6.385194399,6.224558429,7.788626066,8.245646901,86.07316494,5.379572809,11.57549817,1.929249695,2.891111036,2.891111036,0,26,2,0.986,26,1.309911391,2.241198736,2.976336421,3.754704948,4.776067369,0,0,0,0,0,107.6946951,111.6476368,54.83331528,23.55728718,4.852790116,0,0,0,0,0,313.1104913,365.4007522,305.4928407,265.6142409,148.4580575,0,0,0,0,0,10.13777901,17.25740995,22.30280626,25.93637784,32.08783668,0,0,0,0,0,2.165401804,2.708941102,2.674825228,2.860102887,2.123501187,0,0,0,0,0,190.3085692,353.9272541,499.7134276,637.7152381,883.1791638,0,0,0,0,0,3.152731123,4.985664245,5.500028127,5.009792114,4.776067369,0,0,0,0,0,0.494137604,0.643946154,0.628531323,0.629412813,0.489069299,0,0,0,0,0,257.4259963,120.5502095,9.884702851,45.41605786,-21.2679192,-11.24891712,212.0099384,141.8181287,21.13361997,0.850033847,0.398062977,0.032639796,0.149966153,-0.07022776,-0.037144501,77.95941751,36.50767307,2.993503716,13.75389225,-6.440820338,-3.406645169,0.127428795,0.806508894,2.345396322,22.83064688,274.5340627,28.30799147,0.90652556,0.09347444,391.7044361,19.79152435,7.316771572,488.574797,22.10372812,7.876084255,595.6939329,24.40684193,8.414101093,1.792929426,1.792929426,235.5995735,164.8149065,94.79726567,1.429479763,2.485299252,1.738604013,3.35748292,3.412924592,5.575364585,0.633603215,2.789038346,2.735300742,12.11315708,2.970476358,9.47975568,6.562286279,3.999928472,0.528813154,3.058754241,0.584781977,1.48E-08,7.41E-38,7.18E-89,1.34E-161,4.84E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234094726,1.947116845,1.729851862,2.408499233,1.818474664,1.127646364,1.087966992,0.041521881,0.021793092,0.004118667,1.04E-10,5.22E-40,5.06E-91,9.45E-164,3.41E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.755613178,1.677871835,3.259274475,2.058219896,2.206187672,1.767558962,1.369712848,0.135920742,0.225137647,0.042919689,1.08E-09,5.44E-39,5.27E-90,9.85E-163,3.55E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.632626535,2.807929746,11.62818735,3.146583611,9.627765704,6.161842674,3.768880515,0.497188756,2.725467125,0.521030213,1.31E-08,6.60E-38,6.40E-89,1.20E-161,4.31E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.11361925,1.634826397,4.416887121,1.96467174,2.713574821,2.321288257,1.641293182,0.202227299,0.488413772,0.093227299,2.35E-09,1.18E-38,1.14E-89,2.14E-162,7.71E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368160911,3.295372376,15.44843272,3.459940021,12.70964267,8.622866854,5.209965196,0.647939631,4.460090045,0.852849555,2.15E-08,1.08E-37,1.05E-88,1.96E-161,7.05E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.855997001,2.700532673,8.070007613,3.354658745,7.829513821,4.061611273,2.776857894,0.321294943,1.246955036,0.238254314,6.01E-09,3.02E-38,2.93E-89,5.47E-162,1.97E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.775775998,1.166565967,0.574353237,0.614559069,0.258278656,0.559135287,0.654859921,0.491440533,4.516695202,5.50242268,11.87894592,0.421838603,1.70543574,1.777047457,1.055307936,0.139543144,0.597950245,0.355095547,0.235512167,0.523499457,0.028621063,2.971898537,2.270568059,5.504156358,0.429568687,0.787632687,2.277783123,0.981785643,0.316865676,0.636886586,0.274515208,0.379044711,0.462745879,0.149473042,3.576434443,3.269140231,7.554179729,0.455329879,0.991263631,2.693418591,1.196644042,0.55153037,0.606408239,0.269417761,0.526980062,0.687865937,0.451983139,4.441593003,5.368550992,11.58776129,0.409612358,1.666829138,2.493885018,0.980594502,0.402322534,0.643284074,0.252939017,0.452733362,0.463122126,0.241947762,3.876802054,3.843351341,8.704029103,0.464926111,1.15780325,2.82178596,1.202580937,0.604261881,0.609637561,0.25981365,0.577566161,0.695659418,0.543525758,4.628628778,5.825197514,12.50434427,0.414456342,1.816751337,2.735436459,1.177939425,0.559763508,0.611524976,0.263336177,0.543420015,0.667107655,0.46588682,4.473139392,5.412743464,11.68954077,0.417287464,1.67641449 +UMLRON0025,L,2-Methyltetrahydrofuran,CC1CCCO1,7301,[1] has BRON/BMON as 92/91,"Sandia, UML",[6],C5H10O,PubChem,,86,0,0.9959,0.99181681,31.3688,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1621.430308,1511.675147,932.521344,508.440578,160.526016,18.289152,0,3346.887898,3979.09551,4899.824225,4750.067029,3689.644434,2761.554813,1843.095563,559.5073998,0,152.568096,145.6753,259.389256,292.874708,268.423752,156.578312,186.188544,120.932352,0,23.35516286,28.53615172,36.92210936,35.87331513,27.87557381,23.66095011,20.03172529,8.003032287,0,3350.680532,2804.677982,5515.919437,6308.95423,5709.300425,3322.692514,4611.235353,3328.517736,0,92.05555556,55.63888889,97.83333333,116.1666667,117.8333333,54,39,18,0,69.4856748,68.35965826,47.68912671,39.78092492,28.25822255,24.2114561,5.945408,1.016064,0,167.3443949,209.4260795,144.1124772,125.0017639,111.8074071,131.5026102,68.26279863,31.08374443,0,7.6284048,7.667121053,7.629095765,7.707229158,8.134053091,7.456110095,6.895872,6.718464,0,1.167758143,1.501902722,1.085944393,0.944034609,0.844714358,1.12671191,0.741915752,0.444612905,0,167.5340266,147.6146306,162.2329246,166.0251113,173.0091038,158.2234531,170.7864946,184.917652,0,4.602777778,2.928362573,2.87745098,3.057017544,3.570707071,2.571428571,1.444444444,1,0,0.265050948,-0.169544357,0.046812119,0.066241071,-0.077778716,-0.014331584,0.005248575,0.010827416,0,715.056216,-13.739645,163.134436,8.082683,-477.4752,-440.557582,-11.6928,414.72,0,931.2646053,-148.2416011,14.65790436,-113.5411341,-18.13720717,-544.823367,-183.3018537,527.7549561,0,1.9334688,0.00145024,0.78334624,-0.41053792,-1.73169072,-0.37282624,0.34546032,0.41806368,0,4.097118945,-1.072153629,-0.37144502,-1.232273714,1.679403061,-1.716668431,-1.115611506,1.780189767,0,23.01673804,-6.548761719,-2.425366892,-8.182040188,11.44533947,-8.189057442,-6.415438516,8.806956266,0,37.60555556,-2.083611111,10.82333333,-0.378333333,-29.09916667,-9.2775,3.6075,7.605,0,0.013252547,-0.008923387,0.001376827,0.001743186,-0.002356931,-6.82E-04,1.94E-04,6.02E-04,0,35.7528108,-0.723139211,4.798071647,0.212702184,-14.46894545,-20.97893248,-0.433066667,23.04,0,46.56323026,-7.80218953,0.431114834,-2.987924583,-0.549612338,-25.94396986,-6.788957544,29.31971978,0,0.09667344,7.63E-05,0.023039595,-0.010803629,-0.052475476,-0.01775363,0.012794827,0.02322576,0,0.204855947,-0.056429138,-0.010924854,-0.032428256,0.050891002,-0.081746116,-0.041318945,0.098899431,0,1.150836902,-0.344671669,-0.07133432,-0.215316847,0.346828469,-0.389955116,-0.237608834,0.489275348,0,1.880277778,-0.109663743,0.318333333,-0.00995614,-0.881792929,-0.441785714,0.133611111,0.4225,0,-0.673333731,0.1038915,0.131535925,-0.177847376,-0.05149624,0.01466825,0.045389246,0,-0.02022608,0.134201243,0.005949244,-0.404693928,-0.586777151,-0.012112801,0.644424857,0,-0.167561174,0.009258697,-0.064169186,-0.01180357,-0.557177191,-0.145800828,0.629675382,0,7.90E-04,0.238323942,-0.111753854,-0.542811721,-0.183645378,0.132351002,0.240249649,0,-0.275457653,-0.053329443,-0.158297848,0.248423356,-0.399041946,-0.20169756,0.482775496,0,-0.299496539,-0.061984735,-0.187095884,0.301370653,-0.338844814,-0.206466123,0.425147427,0,-0.058323161,0.169301226,-0.005295037,-0.4689695,-0.234957685,0.071059241,0.224700842,0,1.65769843,0.960033303,1.38361799,1.795254293,0.538843674,0.10090791,8.29E-05,0,1.04922138,0.856572671,1.013240353,1.565503219,1.498822317,0.714863506,0,0,1.505949528,1.026726295,1.004350278,0.78934733,1.652652529,1.020695904,0,0,0.713221749,0.731396338,1.305110794,2.494926625,0.869342584,0.051789934,0,0,1.749688453,1.117530992,1.095188161,0.495211814,1.561787782,1.037154898,0,0,1.787392882,1.13157774,1.13323644,0.479855679,1.504309691,1.002858016,0,0,0.620475698,0.519485457,1.033387502,2.704206342,1.381402613,0.112276555,0,0,30.46551413,15.48275707,23.14295073,30.84051413,3.855064267,15.48275774,0.5,0.031417193,0.003927149,-2.768319987,99.19679351,12.39959919,3.677684552,30.47787137,15.48820126,23.15196843,30.85176974,3.856471217,15.48820193,0.498531158,0.031726783,0.003965848,-2.760475265,98.15140954,12.26892619,3.669209025,41.51923056,20.3606208,31.58675723,40.92073884,5.115092355,20.36062081,-0.797988956,0.204227304,0.025528413,-1.270817336,28.00879518,3.501099398,2.66601486,30.49084083,15.49391522,23.16143448,30.86358304,3.857947879,15.49391588,0.4969896,0.032051321,0.004006415,-2.752333502,97.08544365,12.13568046,3.660473163,53.33733612,25.5863738,40.96814554,51.71389472,6.46423684,25.5863738,-2.164588529,0.279081393,0.034885174,-1.021001447,25.38243063,3.172803828,2.587245782,31.76117611,16.05372224,24.09597649,32.02087739,4.002609674,16.05372261,0.346268372,0.061972567,0.007746571,-2.224850767,54.19204362,6.774005453,3.194027281,31.27191052,15.91341684,24.02488893,31.81982719,3.977478399,15.91341736,1.095833333,0.172021343,0.021502668,-1.408109376,28.19755492,3.524694365,2.671388215,0,11.89,15.99591765,-0.315728775,0.264047998,4.193307406,7.259440999,7,19,18,18,6,1,1,0,0,1,15.992484,3.571773866,3.112761874,2.688972338,2.333552793,1.90531352,1.186667561,0.963744163,0.083923071,1.804565464,1.636371493,1.249629723,0.971031633,0.756841955,0.260672548,0.083923071,0.083923071,3.481949602,3.104884486,2.561003521,2.405454588,1.858030292,1.208978528,0.604225852,0.270913902,1.790405834,1.577275651,1.134540686,1.046144497,0.684249171,0.20774331,0.270913902,0.270913902,3.652279204,3.312015999,2.855178221,2.704236987,2.247195646,1.667920597,1.226724651,0.943918427,1.588141808,1.309680816,0.76031856,0.703160795,0.243420256,0.320088628,0.943918427,0.943918427,3.472136718,3.120842259,2.524166644,2.457539916,1.892578308,1.257252107,0.45959235,0.399277246,1.791219511,1.538087798,1.076088243,1.058262671,0.627137893,0.136446917,0.399277246,0.399277246,3.672376108,3.384537726,2.883535139,2.838982085,2.370313734,1.832112989,1.208936353,1.207644823,1.555831877,1.237735083,0.676909098,0.631337262,0.110309425,0.478324873,1.207644823,1.207644823,4.74985247,3.358740502,3.255880593,2.612600818,2.504230588,1.677528965,1.390027909,0.571428571,1.643513218,1.414006921,0.898315104,0.58772056,0.397257681,0.249094496,0.571428571,0.571428571,0,0,1,0,0,4,0,1,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.336787657,0,0.048112522,0,1.207106781,0.666666667,0.666666667,0.365947996,0.185395406,0.185395406,6.568914101,3.680739213,3.009975955,1.882088123,0.788675135,0.333333333,0,0,0.821114263,0.525819888,0.376246994,0.268869732,0.197168784,0.166666667,0,0,5.600953631,2.847405879,1.906748834,0.758000987,0.308925565,0.166666667,0,0,0.700119204,0.406772268,0.238343604,0.108285855,0.077231391,0.083333333,0,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.2055,31.471,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,54,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,1,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.1849537,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.181944444,0.5125,0,0,0,0,0,0,0,0,0,0,5.440740741,0,0.483148148,0,0,0,0.009212963,0,0,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,4.664351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.664351852,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368402778,0.5125,0,0,0,0,0,0,0,0,0,0,1.805833333,0,0.483148148,0,0,0,0.009212963,0,0,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,4.664351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,1.817453704,0,0.483148148,0,0,0,0.009212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,4.664351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21,2.625,0.555902778,10.52060185,0.243055556,-0.118055556,2.60383875,1.784722222,3.520601852,9.369907407,1.784722222,3.520601852,9.369907407,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.5,0.27273,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,6.05478,0.75685,9.01229,2.95751,0.36969,2.62717,0.3284,3.68073,1.05356,0.13169,0.23327,0.02916,0.23327,0.02916,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,1.933206219,2.695461844,3.00869497,2.946439345,2.67650216,25.90923688,38.66412439,53.90923688,60.17389939,58.92878689,53.5300432,0.299741647,0.447301801,0.623671145,0.696146466,0.681741871,0.619284287,3.026466251,2.388721876,1.626466251,1.313233125,1.37548875,1.645425935,0.299741647,0.447301801,0.623671145,0.696146466,0.681741871,0.619284287,12.01211119,20.06453515,22.34686572,21.56333241,22.59980713,16.71373201,29.38046565,20.04323714,18.17626446,19.26198137,18.27863607,14.84347485,8,3.9375,3.673469388,8,3,3,1.9,1.0284,0.814325285,1.190550789,3.14734519,0,0,0.816496581,0,1,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.426,0.519,0.065,3.13,8,7,4,2,0,0,0,0,0,36,2.197224577,2.397895273,2.397895273,1.791759469,1.098612289,0,0,0,0,0,3.784189634,1.194444444,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,5,0.666666667,2,1.111111111,0.375,0.16,0,0,0,0,0,0,0.285714286,0.138888889,0.053571429,0.04,0,0,0,0,0,0,0.518174603,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,26.3,127.2763612,4,3.433987204,4.110873864,4.844187086,5.556828062,6.289715571,7.01301579,7.744569809,8.471568013,9.202207389,71.66695279,2.708050201,0,3.850147602,0,5.176149733,0,6.577861358,0,8.011355109,8.288283045,116.0837296,5.804186481,14.49604135,1.812005168,5.21963085,5.21963085,0,70,7,1.21,30,1.230631579,2.107000092,2.874118976,3.599566323,4.73083798,5.311486034,6.035062637,0,0,0,94.58963281,111.3830256,123.5633239,114.596038,123.434637,33.63652295,6.132009883,0,0,0,279.0386343,326.8346689,379.4341783,437.3508254,647.1145974,378.0959155,187.5923446,0,0,0,9.500427541,16.20568638,22.24340932,29.15930085,35.22794678,36.7013802,40.54635106,0,0,0,1.953218228,2.410560489,2.819822293,3.270738075,5.491066688,4.064773173,2.68326673,0,0,0,180.0610686,338.2473209,474.267024,615.7440359,744.1612043,901.2315544,1115.989613,0,0,0,3.692675439,6.396272554,9.064912736,12.64790799,12.12198189,7.857663304,6.035062637,0,0,0,0.448387105,0.580726345,0.71603302,0.847038049,1.223318633,0.894250162,0.617990414,0,0,0,391.5577673,285.4945413,14.29164738,137.4805287,-100.240485,-18.00858183,254.0772385,385.7350263,32.30022921,0.740131235,0.539648157,0.027014391,0.259868765,-0.189476803,-0.034040223,207.149054,151.0375457,7.560828776,72.73246466,-53.03105537,-9.527229444,0.362104972,0.432975078,1.639830682,5.980359742,473.418607,55.619689,0.894866422,0.105133578,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,1016.630404,31.88464213,10.05513019,1.567502935,1.567502935,509.2722642,421.9389392,123.4794408,1.206980956,4.124348644,3.417078474,4.018215915,4.210482197,7.33198478,0.741364631,3.360032699,4.293005721,3.556016475,10.61680876,4.27625995,5.963681221,4.661572895,9.484771417,3.081143857,2.928452472,2.941938292,4.701280485,0.742475872,0.118865545,8.33E-20,1.13E-59,2.94E-121,1.48E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0.298491782,4.443993353,0.298600807,5.988401972,0.186002517,3.233710915,2.11845931,0.667490622,0.303211339,0.063893388,0.91095373,0.177339503,0.005229333,8.37E-04,5.87E-22,7.94E-62,2.07E-123,1.04E-206,1.0109397025365E-311,0,0,0,0,0,0,0,0,0,0,0,0.91615042,4.162909343,0.693727701,5.642578997,0.466543755,2.828545205,1.82700548,1.659002629,0.704330614,0.326095851,1.138970847,0.715597014,0.054493565,0.008724058,6.12E-21,8.27E-61,2.16E-122,1.09E-205,1.05347711390414E-310,0,0,0,0,0,0,0,0,0,0,0,3.176711882,4.443571971,3.829780899,11.51129157,4.157414309,6.559954709,5.057911685,9.440244039,2.852385243,2.638991053,2.751607616,4.288065801,0.661532644,0.10590706,7.43E-20,1.00E-59,2.62E-121,1.32E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,1.342655413,4.056105657,0.903970859,5.685471778,0.74710354,2.751729859,1.804856992,2.381573343,1.028950309,0.601851036,1.350888045,1.199460439,0.11836727,0.018949821,1.33E-20,1.80E-60,4.69E-122,2.36E-205,2.2882930639938E-310,0,0,0,0,0,0,0,0,0,0,0,4.057749124,4.388467814,4.893715989,12.70686904,6.20363933,7.516583096,6.076235487,13.06789634,3.994778457,4.129744309,3.721579775,6.385944029,1.082831233,0.173354226,1.22E-19,1.64E-59,4.29E-121,2.16E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,2.084250999,4.095672528,2.738524125,14.80522293,2.385683933,10.18955216,8.138806955,8.133420654,1.553953148,1.056676457,2.022852484,2.14768827,0.242441162,0.038813239,2.72E-20,3.68E-60,9.60E-122,4.83E-205,4.68690796178273E-310,0,0,0,0,0,0,0,0,0,0,0,5.432907373,1.247394854,0.504175724,0.756200716,0.17362359,0.592301574,0.467153445,0.419007113,7.18447795,10.14502691,20.746294,0.634301075,1.478462132,3.481514753,0.963634447,0.155700551,0.756711247,0.209447059,0.242637785,0.275272549,0.036958693,4.600849752,4.047019726,9.170230432,0.635066871,0.554869026,4.54672931,1.002375069,0.294532393,0.778065011,0.171532747,0.414825769,0.299536183,0.142194862,5.843636772,6.191919098,13.37789553,0.667097517,0.856556814,5.218103179,1.247819914,0.484767493,0.750731616,0.179524595,0.546180882,0.464815471,0.384649752,6.950690586,9.645722389,19.7528568,0.626097425,1.395646105,5.01438099,1.049249333,0.362227017,0.780344275,0.163285501,0.504824014,0.331278273,0.217701277,6.42585734,7.457746634,15.78940199,0.670516413,1.053803563,5.493998725,1.283272169,0.528570719,0.752000798,0.175650149,0.605629215,0.494011518,0.459844162,7.305841612,10.6325626,21.66498406,0.628001198,1.559484896,5.266103342,1.267260586,0.489089092,0.749895133,0.180458393,0.556208795,0.479099826,0.391420317,7.02245302,9.868922242,20.15532365,0.6248427,1.426728938 +UMLRON0026,L,Ethyl 2-methylpropanoate,CCOC(=O)C(C)C,7342,"""ETHYL ISOBUTYRATE ""","Sandia, UML",[11],C6H12O2,PubChem,,110.3,0,-0.3045,0.09272025,28.0683,17.87393,0,0,18,8,10,0,5,0,3,0,0,0,0,0,0,0,1499.385248,1326.539103,1693.98758,1600.882403,909.81686,540.166078,144.307296,12.192768,0,3077.594284,3596.111892,4302.801974,3958.106668,3054.300045,2345.84821,1391.118395,373.0049332,0,144.942368,136.28694,232.338872,264.663524,192.721664,149.543488,152.140032,80.621568,0,20.32024105,24.28072678,29.8832857,27.40131111,21.61926443,18.82674884,14.28985608,5.335354858,0,3039.502158,2557.043588,4740.081059,5487.029837,3885.606378,3107.119849,3661.504836,2219.011824,0,122.0555556,60.97222222,110.8333333,160.8333333,96.83333333,67,43,12,0,83.29918044,78.03171194,58.41336483,50.02757509,39.55725478,28.42979358,6.871776,1.016064,0,170.9774602,211.5359936,148.3724819,123.6908334,132.7956541,123.4656952,66.24373311,31.08374443,0,8.052353778,8.016878824,8.011685241,8.270735125,8.379202783,7.870709895,7.244763429,6.718464,0,1.12890228,1.428278046,1.030458128,0.856290972,0.939968019,0.990881518,0.680469337,0.444612905,0,168.861231,150.4143287,163.451071,171.4696824,168.9394078,163.5326236,174.3573732,184.917652,0,6.780864198,3.586601307,3.82183908,5.026041667,4.210144928,3.526315789,2.047619048,1,0,0.482054701,-0.273455722,-0.074138204,0.264091508,-0.155769986,-0.018701058,-0.004995931,0.021942042,0,724.0980578,-30.10774446,131.2966482,69.06111295,-450.9952343,-421.914785,-29.67051319,370.2814868,0,793.1399219,-108.0167284,-69.35848482,89.47329194,-179.2024426,-444.4062501,-73.6186308,388.5592838,0,2.632671111,-0.26361116,0.382826321,0.364535802,-1.721517086,-0.735411951,0.077215259,0.579627259,0,3.453944568,-0.840704535,-1.110320423,0.518239806,0.25603995,-1.306738655,-0.332168197,1.08867977,0,19.81899686,-5.328139384,-7.276959392,3.196928626,2.467525084,-6.210894211,-1.769105744,5.011146594,0,54,-7.62345679,6.265432099,13.48765432,-31.06790123,-16.7191358,-2.046296296,10.7037037,0,0.026780817,-0.016085631,-0.00255649,0.00825286,-0.006772608,-9.84E-04,-2.38E-04,0.001828503,0,40.22766988,-1.771043792,4.527470629,2.15815978,-19.60848845,-22.20604132,-1.41288158,30.85679057,0,44.063329,-6.353925201,-2.39167189,2.796040373,-7.791410549,-23.38980263,-3.505649086,32.37994032,0,0.146259506,-0.015506539,0.013200908,0.011391744,-0.074848569,-0.038705892,0.003676917,0.048302272,0,0.191885809,-0.049453208,-0.038286911,0.016194994,0.011132172,-0.068775719,-0.015817533,0.090723314,0,1.101055381,-0.313419964,-0.250929634,0.09990402,0.107283699,-0.326889169,-0.084243131,0.417595549,0,3,-0.448438635,0.216049383,0.421489198,-1.350778315,-0.879954516,-0.097442681,0.891975309,0,-0.600640034,-0.09545974,0.308163105,-0.252890274,-0.036752658,-0.00888328,0.068276614,0,-0.044025513,0.112546181,0.05364864,-0.487437838,-0.552009137,-0.035122133,0.767053888,0,-0.144199845,-0.054278057,0.063455042,-0.176823012,-0.530822413,-0.079559333,0.734850068,0,-0.106020725,0.09025675,0.077887203,-0.511751823,-0.264638471,0.025139679,0.330250476,0,-0.25772207,-0.199529664,0.084399123,0.058014565,-0.358420036,-0.082432011,0.472798455,0,-0.284654132,-0.227899194,0.090734782,0.097437151,-0.296887127,-0.076511257,0.379268433,0,-0.149479545,0.072016461,0.140496399,-0.450259438,-0.293318172,-0.032480894,0.297325103,0,1.571132147,1.08038133,1.041076375,1.460719839,0.782805071,0.540683694,0.151753393,0,0.951487663,0.844151959,0.987894029,1.53394993,1.452029599,0.850584916,0,0,1.416766838,1.071315382,0.785955898,1.050318687,1.524596752,0.931979087,0,0,0.881071696,0.864693941,1.176660531,1.834673992,1.138670906,0.545727183,0,0,1.750143243,1.263795959,0.726865136,0.826902395,1.412985646,0.832015017,0,0,1.802274338,1.300429444,0.736448673,0.819038449,1.359554949,0.781576024,0,0,0.833333333,0.696723783,1.00620499,1.976147343,1.477420403,0.614638448,0,0,29.33623287,15.04311644,22.58609217,29.89873287,3.737341609,15.04311752,0.75,0.066374125,0.008296766,-2.169958389,63.52800049,7.941000061,3.321184609,29.35191364,15.04985519,22.59680944,29.91276119,3.739095149,15.04985627,0.747796737,0.066568304,0.008321038,-2.167621388,63.27577773,7.909472216,3.318002078,43.3114506,21.05723358,32.40916667,42.41371302,5.301714128,21.05723358,-1.196983434,0.166074512,0.020759314,-1.43625498,29.17347537,3.646684422,2.698607935,29.36837114,15.05692777,22.60805875,29.92748444,3.740935555,15.05692884,0.745484401,0.066771785,0.008346473,-2.165179732,63.01447236,7.876809044,3.314691536,58.1714096,27.4622634,43.10532842,55.7362475,6.967030938,27.4622634,-3.246882793,0.20515778,0.025644723,-1.267180749,26.4879888,3.3109986,2.621353102,30.97956722,15.74948489,23.71482893,31.36911913,3.921139892,15.7494854,0.519402558,0.085219015,0.010652377,-1.97002455,47.51762188,5.939702735,3.088880503,26.23962054,13.7512141,20.97143959,27.16950149,3.396187687,13.75121941,1.859761905,0.08461575,0.010576969,-1.975707885,31.6606543,3.957581788,2.764059777,0,11.9964005,15.99870153,-0.404851889,0.290127654,3.996555883,6.471126375,7,17,16,16,6,1,1,0,0,1,13.80607,3.556447971,3.093689269,2.654651344,2.108810366,1.899561972,1.068230365,0.951302151,0.083923071,1.710093806,1.608280209,1.031982843,0.831268,0.506469849,0.228896458,0.083923071,0.083923071,3.415338534,3.077679277,2.530848323,1.938377959,1.79891056,1.016800201,0.604198271,0.270913902,1.737710115,1.551085024,1.067229017,0.771930127,0.607573439,0.147658579,0.270913902,0.270913902,3.622856623,3.288723733,2.830219694,2.403358692,2.228283943,1.563570305,1.226705596,0.943918427,1.502659502,1.283420236,0.716604543,0.294190451,0.097874558,0.442611187,0.943918427,0.943918427,3.384967877,3.094699652,2.509682289,1.944093967,1.772262918,1.054565118,0.459592345,0.399277246,1.761489039,1.51543375,1.072418523,0.765112436,0.597857783,0.070447845,0.399277246,0.399277246,3.626657549,3.358908142,2.874368984,2.476832855,2.327884331,1.73750025,1.208936353,1.207644823,1.485081724,1.210942904,0.667086946,0.177028921,0.02555299,0.620987355,1.207644823,1.207644823,4.859420036,4.180163435,3.377025967,2.903152221,2.547759869,1.715493734,1.414685772,0.588235294,1.467341898,1.356863289,0.617136913,0.451495534,0.208599924,0.3335955,0.588235294,0.588235294,0,0,1,0,0,3,1,0,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.177211967,0,0.021516574,0,1.207106781,0.666666667,0.666666667,0.209059043,0.120523697,0.101717521,6.568914101,3.680739213,3.009975955,1.882088123,0.788675135,0.333333333,0,0,0.821114263,0.525819888,0.376246994,0.268869732,0.197168784,0.166666667,0,0,5.048167227,2.5282545,1.428021765,0.627707981,0.262860031,0.120601133,0,0,0.631020903,0.361179214,0.178502721,0.089672569,0.065715008,0.060300566,0,0,9.853536332,18.43117261,17.6745098,18,10.43349102,139.6048383,0.547418685,1.023954034,0.981917211,1,0.57963839,7.755824351,-0.0697,28.3138,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,54,1,0,3,1,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.703402778,0,23.16240741,-0.5625,0,10.32943723,0,0,0,0,0,0,0,0.703402778,0,0,0,0,0,0,0,0,0,0,0,0,0,2.242430556,0.7625,0,0,0,0,0,0,0,0,0,0,3.067731481,0,0.323148148,0,0,0,-0.990787037,0,0,-0.5625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.477453704,10.27060185,4.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.703402778,0,4.414351852,-0.5625,0,3.105067355,0,0,0,0,0,0,0,0.703402778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.404513889,0.7625,0,0,0,0,0,0,0,0,0,0,1.373009259,0,0.323148148,0,0,0,-0.990787037,0,0,-0.5625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.477453704,10.27060185,4.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.703402778,0,10.27060185,0,0,7.224369872,0,0,0,0,0,0,0,0.703402778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.7625,0.7625,0,0,0,0,0,0,0,0,0,0,1.694722222,0,0.323148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.477453704,10.27060185,4.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,25,3.125,0.7625,10.27060185,0.305555556,-0.990787037,1.139245417,2.32412037,3.270601852,13.32481481,2.32412037,3.270601852,13.32481481,3.49999,0.4375,0,0.0625,0.60556,0.9875,0.42308,0.60556,0.91111,0.18248,0,-0.18248,0.07639,0.44304,0.27125,0,0.47619,0.28572,0,6,0.75,4.5,0.5625,1.5,0.1875,-3,-0.375,0,0,5.29251,0.66156,9.01229,3.71979,0.46497,2.34715,0.29339,3.68073,1.33358,0.1667,0.23327,0.02916,0.23327,0.02916,0,7.03,3,3,3,3,1,1,0.8,1.41526895,2.47385139,3.197159723,3.419381946,3.350209029,3.067168057,25.4748411,44.52932501,57.54887502,61.54887502,60.30376252,55.20902502,0.339399138,0.593260404,0.766718759,0.820010419,0.803421891,0.735545137,2.754656051,1.696073612,0.972765278,0.750543056,0.819715972,1.102756945,0.339399138,0.593260404,0.766718759,0.820010419,0.803421891,0.735545137,13.52582794,24.42007018,26.3703912,25.37299955,26.52463812,20.22096097,30.45091815,18.68805417,16.84745278,17.70910695,16.66716876,13.01921528,8,3.9375,3.673469388,8,3,3,1.68,0.9462,0.2,1,1.807204007,0,0,0.816496581,0,1,0,0,0.333333333,0.816496581,0,0,0,0,0,0,0,0.098,0.674,0.647,0.679,0.259,3.072,8,7,4,2,0,0,0,0,0,36,2.197224577,2.397895273,2.397895273,1.791759469,1.098612289,0,0,0,0,0,3.784189634,1.194444444,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,5,0.666666667,2,1.111111111,0.375,0.16,0,0,0,0,0,0,0.285714286,0.138888889,0.053571429,0.04,0,0,0,0,0,0,0.518174603,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,46.53,118.7706032,4,3.433987204,4.110873864,4.844187086,5.556828062,6.289715571,7.01301579,7.744569809,8.471568013,9.202207389,71.66695279,2.708050201,0,3.850147602,0,5.176149733,0,6.577861358,0,8.011355109,8.288283045,118.0629942,6.559055232,14.49604135,1.812005168,7.579504562,7.579504562,0,70,7,0.153,30,1.227294118,2.114206346,2.841275626,3.621111676,4.717759789,5.32173705,6.194294779,0,0,0,107.1569847,135.6010402,153.9327253,160.6251205,144.0408635,38.87494407,6.29379993,0,0,0,280.8997559,333.6793001,372.7024105,523.113815,610.2256003,371.5084651,192.5418758,0,0,0,9.896911164,17.11730336,23.66171759,30.04483302,37.02122186,38.58196827,41.61614648,0,0,0,1.85453137,2.263806567,2.534047435,3.686997373,4.860893426,3.781025975,2.754063395,0,0,0,182.7180734,342.8896201,485.0791768,602.644785,765.8651897,920.1762997,1145.434446,0,0,0,4.487617647,8.563709423,15.03227745,14.66826665,16.50833923,11.0129691,6.194294779,0,0,0,0.454540535,0.602982038,0.711908559,0.972654336,1.191642912,0.897630464,0.634295785,0,0,0,358.0363846,368.6204335,17.99619772,162.9861541,-167.8042494,-29.72213145,195.0502305,536.424683,47.71832917,0.687180223,0.707494218,0.034540152,0.312819777,-0.32206716,-0.057045769,186.5450261,192.0595541,9.376424623,84.91945979,-87.42979605,-15.48590039,0.281772252,0.371519756,1.435539888,11.63850692,414.4957461,106.5267927,0.795542832,0.204457168,621.5829204,24.93156474,8.534269586,726.7971772,26.95917612,8.990925739,1095.143084,33.09294614,10.30758571,1.782469004,1.782469004,505.7169154,421.4404459,117.7581081,1.199972429,4.294540083,3.578865631,3.947620728,4.210482197,7.33198478,0.741364631,3.237668448,3.727208714,3.908996166,7.248064166,5.871241674,6.102548419,3.906336518,7.612647395,0.138102345,1.27400306,2.359040485,4.694733339,0.732350733,0.118865545,8.33E-20,1.13E-59,2.94E-121,1.48E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0.308127649,4.00533844,0.373267053,4.650013144,0.302588289,2.388679691,2.701846374,0.595529229,0.076033485,0.051862396,0.890565705,0.177293391,0.005158021,8.37E-04,5.87E-22,7.94E-62,2.07E-123,1.04E-206,1.0109397025365E-311,0,0,0,0,0,0,0,0,0,0,0,0.827807094,3.4880118,0.822821355,3.560433749,0.815395705,2.305504514,1.700747852,1.297806368,0.057568613,0.194622623,1.054333179,0.715116491,0.053750437,0.008724058,6.12E-21,8.27E-61,2.16E-122,1.09E-205,1.05347711390414E-310,0,0,0,0,0,0,0,0,0,0,0,3.284168077,4.004339458,4.355851358,8.411906852,5.764680209,6.45761014,4.412573213,7.874865727,0.149837347,1.182501251,2.221089962,4.282232412,0.652511328,0.10590706,7.43E-20,1.00E-59,2.62E-121,1.32E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,1.145552785,3.29142747,1.022715542,3.222631076,1.242841585,2.464133412,1.428365439,1.755789855,0.055502351,0.318964957,1.207115989,1.198416678,0.116753097,0.018949821,1.33E-20,1.80E-60,4.69E-122,2.36E-205,2.2882930639938E-310,0,0,0,0,0,0,0,0,0,0,0,4.090606766,3.902783031,5.363028843,9.022219049,8.290329156,7.97599983,5.027785193,10.69732975,0.170979886,1.739073298,2.924640741,6.376395632,1.068064669,0.173354226,1.22E-19,1.64E-59,4.29E-121,2.16E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,3.112678205,4.524424245,3.989569267,14.32143325,4.092384067,10.06634082,8.720701304,8.435475012,0.271892628,0.622291715,1.868809106,2.273615288,0.253408623,0.041129946,2.88E-20,3.90E-60,1.02E-121,5.12E-205,4.96666284877497E-310,0,0,0,0,0,0,0,0,0,0,0,5.581474855,0.867203932,0.486813487,0.804769818,0.125038555,0.595819433,0.445630813,0.433202434,6.935492274,7.979580747,17.27138512,0.707154727,1.47465268,3.461762812,0.855684233,0.144480027,0.775844776,0.19177459,0.235205819,0.434431082,0.034769611,4.461927072,3.585960723,8.475863042,0.663767165,0.704406513,4.645760857,0.725481882,0.27255384,0.82316235,0.128545009,0.414272275,0.319609143,0.135880224,5.643796579,4.834368165,11.39678439,0.734743526,0.869761641,5.282155148,0.910137415,0.459081619,0.79414494,0.136834493,0.53453369,0.493462292,0.381238108,6.651374183,7.650254729,16.50865784,0.691217409,1.40923409,5.225215741,0.687540855,0.347187623,0.834706438,0.109831786,0.522266466,0.285578195,0.224847423,6.25994422,5.645385209,13.15261808,0.752059657,1.032692084,5.623940086,0.90233391,0.509551898,0.799329058,0.128248471,0.604967604,0.481350932,0.472225965,7.035825894,8.400147147,18.02178171,0.698993587,1.558544501,5.340242736,0.922564544,0.463826418,0.793895279,0.137151001,0.546156402,0.507556537,0.389852148,6.726633698,7.83157407,16.84335001,0.690842918,1.443565087 +UMLRON0027,L,Ethyl 2-hydroxypropanoate,CCOC(=O)C(C)O,7344,Co-optima vals measured by NREL,Sandia,,C5H10O3,PubChem,,107.5,0,2.764,7.639696,48.8625,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2258.876942,2063.146019,1416.666559,755.790843,163.574208,9.144576,0,4670.34144,5841.481647,8388.986035,9257.748935,7485.049497,4760.641003,1936.346796,279.7536999,0,169.463656,175.052008,301.268408,387.40718,481.702588,334.931628,206.343936,60.466176,0,34.11358067,43.47862034,64.20345803,75.88457971,67.82517366,45.09756585,21.36556401,4.001516144,0,3856.790689,3411.659229,6348.70826,8106.187886,11366.80668,7906.799802,5165.988309,1664.258868,0,50.34027778,60.25,89.25,117.1666667,117.6666667,81.25,42,9,0,60.70275442,67.17251842,53.78278433,38.20640776,20.53139941,15.74564256,5.4524736,1.016064,0,194.59756,243.3950686,199.7377627,171.4397951,108.4789782,99.1800209,64.54489321,31.08374443,0,7.060985667,7.293833667,7.173057333,7.174207037,6.981196928,6.97774225,6.8781312,6.718464,0,1.421399194,1.811609181,1.528653763,1.405269995,0.982973531,0.939532622,0.712185467,0.444612905,0,160.6996121,142.1524679,151.1597205,150.1145905,164.7363288,164.7249959,172.1996103,184.917652,0,2.097511574,2.510416667,2.125,2.169753086,1.70531401,1.692708333,1.4,1,0,0.053704508,-0.008350903,0.004587263,-0.02328864,-0.012619251,-0.003266101,0.002854561,0.013230817,0,706.2183858,-6.39E-14,206.8210987,-610.374462,27.74429373,-191.6878476,25.22208521,189.1656391,0,1313.243245,2.13E-13,384.5926646,-1135.017376,51.59169891,-356.4517379,46.90154447,351.7615835,0,0.138343333,2.24E-15,0.040514833,-0.119568167,0.005434917,-0.037550333,0.004940833,0.03705625,0,5.870808328,1.36E-14,1.719308153,-5.074055769,0.230638899,-1.593505118,0.209671726,1.572537945,0,31.89032402,-1.08E-13,9.339309176,-27.56235147,1.252834158,-8.65594509,1.138940143,8.542051076,0,5.194155093,-1.583043981,3.100911458,-3.442057292,0.015299479,-1.613136574,-0.317346644,1.242296007,0,0.002237688,-3.48E-04,1.09E-04,-4.31E-04,-1.83E-04,-6.80E-05,9.52E-05,0.001470091,0,29.42576608,-2.66E-15,4.924311874,-11.30323078,0.402091213,-3.993496825,0.840736174,21.01840434,0,54.71846854,8.88E-15,9.156968205,-21.0188403,0.747705781,-7.426077874,1.563384816,39.08462039,0,0.005764306,9.32E-17,9.65E-04,-0.002214225,7.88E-05,-7.82E-04,1.65E-04,0.004117361,0,0.244617014,5.67E-16,0.040935908,-0.093963996,0.003342593,-0.033198023,0.006989058,0.174726438,0,1.328763501,-4.50E-15,0.222364504,-0.510413916,0.018157017,-0.180332189,0.037964671,0.949116786,0,0.216423129,-0.065960166,0.073831225,-0.063741802,2.22E-04,-0.033607012,-0.010578221,0.13803289,0,-0.155497246,0.048809559,-0.192730685,-0.081730659,-0.030408069,0.042522474,0.65696867,0,-9.06E-17,0.167346939,-0.384126984,0.013664596,-0.135714286,0.028571429,0.714285714,0,1.62E-16,0.167346939,-0.384126984,0.013664596,-0.135714286,0.028571429,0.714285714,0,1.62E-14,0.167346939,-0.384126984,0.013664596,-0.135714286,0.028571429,0.714285714,0,2.32E-15,0.167346939,-0.384126984,0.013664596,-0.135714286,0.028571429,0.714285714,0,-3.38E-15,0.167346939,-0.384126984,0.013664596,-0.135714286,0.028571429,0.714285714,0,-0.304774107,0.341142953,-0.294523982,0.001024528,-0.155283828,-0.0488775,0.637791766,0,1.239408888,0.811893886,1.230068907,0.893740584,1.098199622,0.952433814,0.308469542,0,1.15,0.891836735,1.423809524,0.885714286,1.026785714,0.788571429,0,0,1.15,0.891836735,1.423809524,0.885714286,1.026785714,0.788571429,0,0,1.15,0.891836735,1.423809524,0.885714286,1.026785714,0.788571429,0,0,1.15,0.891836735,1.423809524,0.885714286,1.026785714,0.788571429,0,0,1.15,0.891836735,1.423809524,0.885714286,1.026785714,0.788571429,0,0,1.483705643,0.586819676,1.322266169,0.934766865,1.109896385,0.885610829,0,0,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,51.01256141,25.17199555,38.17352836,50.92656141,5.092656141,25.17199555,-0.215,0.322160345,0.032216034,-1.132705892,37.60184285,3.760184285,3.627053061,0,11.85,12.1501118,-0.209784842,0.090356042,6.636294998,9.540697499,10,24,21,18,4,3,0,0,0,6,15.304898,3.816440743,3.321824474,2.619181914,2.480282572,2.333552793,2.333552793,0.953184807,0.941428501,2.01079436,1.721444008,1.249629723,1.249629723,1.082250302,0.950449026,0.310513972,0.239930612,3.827816466,3.346908079,2.645815032,2.508422564,2.405454588,2.405454588,1.053336623,1.043091076,1.977938475,1.660851284,1.134540686,1.134540686,1.007167592,0.875463655,0.150156259,0.075242244,3.880159401,3.46141569,2.771820215,2.704236987,2.704236987,2.638910267,1.517793787,1.446259996,1.891139127,1.484979849,0.798620231,0.76031856,0.76031856,0.666187822,0.396843083,0.473017856,3.83631002,3.365630997,2.665925019,2.529531816,2.457539916,2.457539916,1.134811365,1.109915352,1.957986757,1.622339173,1.058262671,1.058262671,0.960278991,0.828656609,0.041902902,0.035557662,3.907304368,3.519230963,2.838982085,2.838982085,2.838078588,2.706120674,1.721464227,1.641901296,1.86649785,1.431813264,0.738564276,0.631337262,0.631337262,0.604855658,0.594311107,0.656533452,3.83686469,3.349618626,2.735205432,2.560250613,2.545054156,2.545054156,1.239419255,1.149307729,1.972665668,1.597415238,0.959151073,0.959151073,0.878261043,0.781295632,0.075442523,0.138774239,0,0,0,5,1,3,0,0,1,0,0,0,0.102062073,0.051031036,0,0,0,0.032075015,0.016037507,1.510362971,0.288675135,0.433012702,0.144337567,1.333333333,0.25,0.25,0.083333333,1.861881719,2.103152481,2.150556853,1.212250449,1.160683603,0.974833632,7.612884175,4.605171716,4.70095927,2.829916587,1.968614081,1.369082439,0.535074775,0.306186218,0.761288418,0.460517172,0.335782805,0.202136899,0.140615291,0.097791603,0.066884347,0.051031036,6.886751346,3.660683603,3.616025404,1.639814472,0.938152853,0.53668078,0.198741682,0.096225045,0.688675135,0.36606836,0.258287529,0.117129605,0.067010918,0.038334341,0.02484271,0.016037507,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.9841,45.142,40.42054828,58.46993254,80.84109655,8.084109655,40.42054828,0.278590457,0.027859046,-1.278012472,37.98302013,3.798302013,3.637139221,78,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,3,0,0,5,0,0,0,0,0,0,0,0,3,0,0,0,0,5,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.95013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.978611111,0,0.857916667,0,0,1.978611111,0,0,0,0,0,0,0,0,6.673611111,0,0,0,0,10.55199074,0,0,0,0,1.398148148,0,0.292916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.398148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375347222,0,0.285972222,0,0,0.375347222,0,0,0,0,0,0,0,0,2.224537037,0,0,0,0,2.050833333,0,0,0,0,1.398148148,0,0.292916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.419166667,0,0.285972222,0,0,0.419166667,0,0,0,0,0,0,0,0,2.224537037,0,0,0,0,2.166666667,0,0,0,0,1.398148148,0,0.292916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.91666667,1.891666667,0.419166667,2.224537037,0.104166667,0.292916667,6.389439444,0.957083333,0.224537037,2.451203704,0.957083333,0.224537037,2.451203704,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.3,0.1,0.1,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.4465,0.74465,12.42563,4.97913,0.49791,2.66428,0.26643,4.60517,1.94089,0.19409,0.30883,0.03088,0.39483,0.03948,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.230650273,2.432931647,2.833333333,3.031453646,2.833333333,23.51685016,53.53560655,58.39035953,68,72.7548875,68,0.213713581,0.486514398,0.530632834,0.617962161,0.661173051,0.617962161,3.605093744,2.354312228,2.152030854,1.751629167,1.553508855,1.751629167,0.206076118,0.469127876,0.511669655,0.595878101,0.637544767,0.595878101,6.772325919,15.75249458,18.17987107,20.76117905,20.96084966,18.58340591,37.92632204,30.31952535,26.51052282,22.56441094,22.01253125,25.32380937,8.1,2.93877551,2.285714286,4,6,3,2.56,1.28,1.5,4.02369228,1.5,3,6.083643419,3.041821709,1.850535862,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.184,0.171,0.474,0.643,4.505,14,14,14,14,8,6,0,0,0,90,2.63905733,3.157000421,3.548179572,3.944006051,4.342993404,3.840795496,3.840795496,0,0,0,5.696883733,3.299305556,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,5,0.666666667,3,1.333333333,0.6875,0.248888889,0.1875,0,0,0,0,0,0.3,0.095238095,0.0625,0.035555556,0.0625,0,0,0,0,0,0.555793651,23.37727465,34.54807559,46.75454929,4.675454929,23.37727465,0.032427167,0.003242717,-3.428758735,56.28586604,5.628586604,4.030443456,0,150.3504702,4.321928095,3.891820298,4.65396035,5.509388337,6.300785795,7.153833802,7.954723334,8.804925263,9.609988595,10.45826307,84.33768885,3.044522438,0,4.343805422,0,5.843544417,0,7.419979924,0,9.031333316,9.257128533,134.1095504,5.587897935,19.29949945,1.929949945,0,0,0,114,11,3.854,48,1.236512656,2.163579757,3.017039332,3.631564835,4.385138938,5.439742824,6.224299214,0,0,0,92.91185031,128.2228326,119.9043185,85.33572729,76.38277317,29.42691151,6.324286356,0,0,0,323.9803594,463.9994136,530.5052347,423.5071962,467.9632868,349.3491661,193.474526,0,0,0,9.050443239,15.58351653,21.67504464,25.41476129,30.72202289,37.40687399,41.81773019,0,0,0,2.364973853,3.495603645,4.320802798,3.746439119,4.358514005,3.860044284,2.767403754,0,0,0,173.8105839,322.5613406,450.7295741,593.8576646,712.7308269,937.3899542,1150.982796,0,0,0,3.172198876,4.798039684,6.628770119,6.38604629,7.748985559,7.594619115,6.224299214,0,0,0,0.486961494,0.724918253,0.90751501,0.800572679,0.93775659,0.853540643,0.637368239,0,0,0,268.4510557,140.566157,10.43332968,81.76649379,-42.81451519,-4.824606727,186.684562,183.3806722,15.25793641,0.766526566,0.401368113,0.029790996,0.233473434,-0.122251199,-0.013776028,94.01627091,49.22873506,3.653935154,28.63606109,-14.9943946,-1.689661945,0.118494841,0.117912504,1.475819255,1.594521369,350.2175495,0,1,0,726.8842238,26.96079049,8.991284665,863.5642905,29.38646441,9.522805011,1311.356274,36.21265351,10.94561663,1.60706476,1.60706476,576.4648566,491.5977576,193.0437467,1.172635244,2.986187672,2.546561419,4.217577998,3.785524729,6.668902549,0.76168511,4.313020202,4.901504018,4.951383489,15.51913342,3.941262212,6.928674604,8.601558586,6.354044017,5.436797567,7.020040549,4.262128814,2.597706692,6.85E-05,2.40E-30,1.89E-77,3.26E-146,1.19E-236,0,0,0,0,0,0,0,0,0,0,0,0,0,0.362071417,4.71949345,0.341577251,8.151651371,1.122454199,1.706385188,1.315663346,1.032566293,1.428488606,0.477069691,0.233553798,0.018295861,4.82E-07,1.69E-32,1.33E-79,2.29E-148,8.38E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,1.168544138,4.731656172,1.150744895,9.279146482,1.42825335,2.721594977,2.209102329,1.962072614,2.047165515,1.613887652,0.83573763,0.190656974,5.03E-06,1.76E-31,1.38E-78,2.39E-147,8.73E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.071145892,4.881520999,4.622550779,14.93495597,3.673328452,6.591008755,7.945466005,5.972824361,5.120833715,6.549176267,3.937626145,2.314509894,6.10E-05,2.14E-30,1.68E-77,2.90E-146,1.06E-236,0,0,0,0,0,0,0,0,0,0,0,0,0,1.722162424,4.747425403,1.745344914,10.1648871,1.718218661,3.433579577,2.998722063,2.646683193,2.531104805,2.453288121,1.314480358,0.414132424,1.09E-05,3.82E-31,3.01E-78,5.19E-147,1.90E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,5.208571964,4.985529826,6.221840683,17.83325631,5.041583932,8.199292661,11.26927612,7.828479731,6.686805568,8.843268836,5.552038706,3.788511073,9.99E-05,3.50E-30,2.75E-77,4.75E-146,1.74E-236,0,0,0,0,0,0,0,0,0,0,0,0,0,2.410643042,3.534666369,2.266910736,10.89242326,2.21471783,4.417246455,4.140326941,3.34125037,3.291456014,3.514330791,1.930909066,0.725940274,1.91E-05,6.70E-31,5.27E-78,9.10E-147,3.32E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,4.12366197,1.818929157,0.830846445,0.608798993,0.268538558,0.521431158,0.552809754,0.312358577,6.773437573,12.43802971,25.44335483,0.413198489,1.386599489,3.395668697,1.036027113,0.403251987,0.702317551,0.214278862,0.35359309,0.179466598,0.073588333,4.834947798,5.305094981,11.55868522,0.553476327,0.606648021,3.65423338,1.314100723,0.555124647,0.661584262,0.237912653,0.409484473,0.288667263,0.139450613,5.52345875,7.560075442,15.7492598,0.492376393,0.837602349,4.102208255,1.795858152,0.818245633,0.610782857,0.26738754,0.516020414,0.53888676,0.302956648,6.71631204,12.19305121,24.93736585,0.416174285,1.357863822,3.78146531,1.450929719,0.629855831,0.645053479,0.24750386,0.438491512,0.351869355,0.179520461,5.862250861,8.782294921,18.10033823,0.467580218,0.969881328,4.192195772,1.892629032,0.871099584,0.602679894,0.272088787,0.538904787,0.598473735,0.343355296,6.955924388,13.23475978,27.10222471,0.404019841,1.480733818,4.108327135,1.797316822,0.818540213,0.610977783,0.267291433,0.517560963,0.539762557,0.303174818,6.72418417,12.21797253,24.98622936,0.416466674,1.360498337 +UMLRON0028,L,tert-butylbenzene,CC(C)(C)C1=CC=CC=C1,7366,Sandia from ind. API report,Sandia,,C10H14,PubChem,,103,0,1.7807,3.17089249,44.0035,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1823.036387,1623.322017,1039.238765,522.71285,110.065536,6.096384,0,4184.657049,5188.491512,7025.184097,7105.641586,5452.256084,3409.632809,1321.981609,186.5024666,0,148.486212,153.276228,258.491468,320.107716,316.42034,250.693832,144.281088,40.310784,0,30.43545486,38.46263172,54.50291932,58.49838111,48.45230132,32.73540406,14.68832224,2.667677429,0,3360.161029,2978.619777,5413.572236,6971.511966,7235.800254,5968.477003,3628.909858,1109.505912,0,44.55555556,53.55555556,77.66666667,90.66666667,82,59.33333333,29,6,0,62.40808843,68.74581643,50.63989964,36.0738226,23.09419478,14.51980139,5.241216,1.016064,0,199.2693833,247.0710244,195.1440027,157.9031463,121.1612463,94.71202247,62.95150517,31.08374443,0,7.070772,7.298868,7.180318556,7.1135048,7.031563111,6.963717556,6.870528,6.718464,0,1.449307374,1.831553891,1.513969981,1.299964025,1.076717807,0.909316779,0.699443916,0.444612905,0,160.0076681,141.839037,150.3770065,154.9224881,160.7955612,165.7910279,172.8052313,184.917652,0,2.121693122,2.55026455,2.157407407,2.014814815,1.822222222,1.648148148,1.380952381,1,0,0.051174327,-0.004191973,-0.009797429,-0.010107486,-0.015183945,0.001362904,0.003606133,0.008724633,0,622.6251891,3.91E-13,4.941469755,-192.7173204,-210.0124646,-98.8293951,51.88543243,133.4196834,0,1157.798126,-2.84E-14,9.188874018,-358.3660867,-390.5271458,-183.7774804,96.48317719,248.0995985,0,0.121968,1.88E-15,9.68E-04,-0.037752,-0.04114,-0.01936,0.010164,0.026136,0,5.175896322,1.02E-14,0.041078542,-1.602063147,-1.745838045,-0.821570845,0.431324694,1.10912064,0,28.11555097,4.40E-14,0.223139293,-8.702432443,-9.48341997,-4.462785868,2.342962581,6.024760922,0,4.507936508,-0.761904762,0.859410431,-0.739229025,-1.580498866,-0.902494331,-1.44E-15,0.870748299,0,0.002436873,-2.00E-04,-2.72E-04,-2.25E-04,-3.37E-04,3.79E-05,1.72E-04,0.001454105,0,29.64881853,1.86E-14,0.137263049,-4.282607121,-4.666943658,-2.745260975,2.470734878,22.2366139,0,55.13324411,-1.35E-15,0.2552465,-7.963690816,-8.678381017,-5.10493001,4.594437009,41.34993308,0,0.005808,8.94E-17,2.69E-05,-8.39E-04,-9.14E-04,-5.38E-04,4.84E-04,0.004356,0,0.246471253,4.84E-16,0.001141071,-0.035601403,-0.038796401,-0.022821412,0.020539271,0.18485344,0,1.33883576,2.09E-15,0.006198314,-0.193387388,-0.210742666,-0.123966274,0.111569647,1.00412682,0,0.214663643,-0.036281179,0.023872512,-0.016427312,-0.035122197,-0.025069287,-6.87E-17,0.145124717,0,-0.081915544,-0.111680355,-0.092171743,-0.138464762,0.015535664,0.070467622,0.596709655,0,6.28E-16,0.00462963,-0.144444444,-0.157407407,-0.092592593,0.083333333,0.75,0,-2.45E-17,0.00462963,-0.144444444,-0.157407407,-0.092592593,0.083333333,0.75,0,1.54E-14,0.00462963,-0.144444444,-0.157407407,-0.092592593,0.083333333,0.75,0,1.96E-15,0.00462963,-0.144444444,-0.157407407,-0.092592593,0.083333333,0.75,0,1.56E-15,0.00462963,-0.144444444,-0.157407407,-0.092592593,0.083333333,0.75,0,-0.169014085,0.11120892,-0.076525822,-0.163615023,-0.116784038,-3.20E-16,0.676056338,0,1.134820555,0.990588833,1.065844153,1.063182194,0.978397925,0.846045967,0.28534903,0,1.111111111,1.026234568,1.12345679,1.080246914,0.972222222,0.740740741,0,0,1.111111111,1.026234568,1.12345679,1.080246914,0.972222222,0.740740741,0,0,1.111111111,1.026234568,1.12345679,1.080246914,0.972222222,0.740740741,0,0,1.111111111,1.026234568,1.12345679,1.080246914,0.972222222,0.740740741,0,0,1.111111111,1.026234568,1.12345679,1.080246914,0.972222222,0.740740741,0,0,1.302816901,0.821596244,1.024256651,1.139280125,1.054381847,0.845070423,0,0,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,40.45136923,19.91583039,30.72690265,40.39766553,4.488629503,19.9158304,-0.161111111,0.370015917,0.04111288,-0.894788329,35.86776469,3.985307188,3.221855075,0,11.85,12.15009716,-0.20991693,0.090203616,6.07534375,8.758381125,9,21,18,15,3,3,0,0,0,6,13.118484,3.794979351,3.215828339,2.619181914,2.470833146,2.333552793,1.260641077,0.941428501,0.729217022,1.994710453,1.673106271,1.249629723,1.082250302,0.969383414,0.464978854,0.310513972,0.230270252,3.806876826,3.245226722,2.645815032,2.501835524,2.405454588,1.356365801,1.053336623,0.860003957,1.961466708,1.605357719,1.134540686,1.007167592,0.891855888,0.318671338,0.150156259,0.061869484,3.861289558,3.37839396,2.771820215,2.704236987,2.6430235,1.756172129,1.517793787,1.383146172,1.872633866,1.405550007,0.798620231,0.76031856,0.672110206,0.169275876,0.396843083,0.52344722,3.815743304,3.267124209,2.665925019,2.524945597,2.457539916,1.426031146,1.134811365,0.953928232,1.941179501,1.562024883,1.058262671,0.960278991,0.84316282,0.220705965,0.041902902,0.052494885,3.889291755,3.444858672,2.838982085,2.838078588,2.714479928,1.934748586,1.721464227,1.604929216,1.847140569,1.34415258,0.738564276,0.631337262,0.606526415,0.341130169,0.594311107,0.740644743,3.827769307,3.253330133,2.736627811,2.560684849,2.546278942,1.438457997,1.240457652,1.057756794,1.941032174,1.538234426,0.958043648,0.876967229,0.792725102,0.168568392,0.076352355,0.172031066,0,0,0,5,1,2,0,1,0,0,0,0,0.102062073,0.058925565,0,0,0,0.032075015,0.018518519,0.5,0,0.166666667,0,0.384900179,0,0.096225045,0,1.040440115,1.054737854,1.040440115,0.636894534,0.510897357,0.424596356,6.690234444,4.304530453,3.642107032,2.592638956,1.800833459,1.250443623,0.451184464,0.23570226,0.743359383,0.478281161,0.331100639,0.216053246,0.150069455,0.104203635,0.075197411,0.058925565,5.964101615,3.354059275,2.565384141,1.466239158,0.837939098,0.478822342,0.165337097,0.074074074,0.662677957,0.372673253,0.23321674,0.122186597,0.069828258,0.039901862,0.027556183,0.018518519,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,2.81,40.531,36.08872406,51.75280153,72.17744812,8.019716458,36.08872406,0.19041988,0.021157764,-1.492671377,35.89962077,3.988846752,3.222654059,69,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,3,0,0,5,0,0,0,0,0,0,0,0,2,0,0,0,0,5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.93407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.036805556,0,0.93125,0,0,2.036805556,0,0,0,0,0,0,0,0,4.407407407,0,0,0,0,10.51972222,0.658518519,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.390972222,0,0.285972222,0,0,0.390972222,0,0,0,0,0,0,0,0,2.203703704,0,0,0,0,2.0475,0.658518519,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.157407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.426111111,0,0.359305556,0,0,0.426111111,0,0,0,0,0,0,0,0,2.203703704,0,0,0,0,2.157407407,0.658518519,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17,1.888888889,0.426111111,2.203703704,0.131944444,0.658518519,5.612137685,0.674814815,0.203703704,1.854259259,0.674814815,0.203703704,1.854259259,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.22222,0.22222,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.44402,0.60489,9.97476,4.53073,0.50341,2.34821,0.26091,4.30452,1.95631,0.21737,0.10948,0.01216,0.19548,0.02172,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.255614308,2.684017281,3.141619208,3.368042423,3.141619208,20.68979086,47.36790048,56.3643629,65.97400337,70.72889087,65.97400337,0.224307135,0.513536271,0.611070882,0.715253226,0.766803056,0.715253226,3.407089287,2.136703114,1.708300142,1.250698215,1.024275,1.250698215,0.214882485,0.491959162,0.585395689,0.685200633,0.734584508,0.685200633,6.75154531,15.84138577,18.81429787,21.76436413,21.99255912,19.27548055,33.82580122,27.3383201,23.25490662,19.18539608,18.60971788,22.06378703,7.111111111,3.239669421,2,3,6,3,2.45,1.1391,0.5,2.68246152,2.828427125,0,6.083643419,4.745102806,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.151,0.144,0.514,0.649,4.19,11,12,12,12,6,4,0,0,0,75,2.564949357,3.020424886,3.457892725,3.852803646,4.251170232,3.595598464,3.446011397,0,0,0,5.534870605,3.365,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,3,0.333333333,0,3,5,0.666666667,1.5,0.888888889,0.4375,0.191111111,0.125,0,0,0,0,0,0.166666667,0.080808081,0.048611111,0.038222222,0.0625,0,0,0,0,0,0.396808081,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,0,133.0544855,4.169925001,3.713572067,4.465908119,5.252273428,6.02827852,6.816735881,7.598399329,8.386400901,9.169830829,9.957265258,79.38866433,2.944438979,0,4.143134726,0,5.556828062,0,7.055312843,0,8.590257762,8.836955157,120.0939004,5.718757161,17.52861439,1.947623821,0,0,0,88,9,3.442,40,1.234633511,2.165595806,2.983279347,3.728956613,4.441743034,5.453257175,6.221758101,0,0,0,94.43903682,119.629923,113.1596629,96.02638748,70.40193768,28.28779332,6.321704423,0,0,0,327.3861275,449.1250406,489.136045,478.3676264,447.7327491,341.0739967,193.3955387,0,0,0,9.042027763,15.60196379,21.2715503,26.27358154,31.03335007,37.4561784,41.80065782,0,0,0,2.382529912,3.434617978,3.995250006,4.171856971,4.235013524,3.796521277,2.766273943,0,0,0,173.2140676,322.0102326,458.4498113,595.8781709,728.4394239,943.1939187,1150.5129,0,0,0,3.230802684,4.832721108,6.137552208,6.955271635,7.585330914,7.504189084,6.221758101,0,0,0,0.490292779,0.71399969,0.840509935,0.888245297,0.913729154,0.840621765,0.63710803,0,0,0,256.9475906,124.6147701,10.47614321,79.50219089,-38.55707391,-4.713928236,177.4453998,163.1718441,15.19007145,0.763702653,0.370381486,0.031137316,0.236297347,-0.114599789,-0.014010793,86.44996074,41.92661219,3.524696096,26.74849476,-12.97251909,-1.586000125,0.127917102,0.12730695,1.593170819,1.72156171,336.4497815,0,1,0,664.8026547,25.78376727,8.727655225,782.1086491,27.96620548,9.213451688,1129.49505,33.6079611,10.41425268,1.805695877,1.805695877,502.7228234,402.7110761,147.8383833,1.248346155,3.400489185,2.723995401,4.030673812,3.785524729,6.66215613,0.759902948,3.755219095,3.952947272,4.388315065,10.82161521,4.574289234,4.99852406,5.171874534,5.320057409,3.837949899,5.215262055,2.610180677,1.506570157,3.87E-05,9.57E-31,4.65E-78,4.44E-147,8.32E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0.315259036,3.77101797,0.334370755,5.054835437,0.974736133,1.353166965,1.020806147,0.91731173,0.897453671,0.342837866,0.15213095,0.010610897,2.73E-07,6.74E-33,3.27E-80,3.12E-149,5.86E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,1.017428063,3.783175183,1.101092723,5.721823913,1.320026181,2.031311455,1.64849649,1.650915924,1.317329081,1.169217139,0.535195005,0.110573726,2.84E-06,7.02E-32,3.41E-79,3.26E-148,6.11E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,3.544627149,3.932973147,4.118635497,10.28810849,4.216150725,4.75202677,4.840050854,4.992121078,3.594135604,4.857476968,2.417716891,1.342326887,3.45E-05,8.52E-31,4.14E-78,3.95E-147,7.41E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,1.499445135,3.798937343,1.645468523,6.331160001,1.672694369,2.516418488,2.144599286,2.203530862,1.659107826,1.786438621,0.833393919,0.240180908,6.17E-06,1.53E-31,7.41E-79,7.07E-148,1.33E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.534946345,4.036935697,5.411228759,13.00185896,6.056749742,5.937683334,6.488688788,6.600570706,4.813123721,6.607535578,3.370456835,2.197190985,5.65E-05,1.40E-30,6.78E-78,6.47E-147,1.21E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,2.052948038,3.007962276,2.169594293,6.694594516,2.251300059,3.210094238,2.867500263,2.767303992,2.194855449,2.576022586,1.219167492,0.422256688,1.09E-05,2.68E-31,1.30E-78,1.24E-147,2.33E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.201391824,1.817859552,0.483541124,0.646090403,0.279550601,0.564426063,0.573958078,0.327010915,6.5027925,10.54809584,20.74395314,0.469135604,1.465395056,3.280607491,1.031995626,0.200532498,0.726902041,0.228664883,0.344300516,0.184909211,0.055843114,4.513135614,4.250389655,9.442442595,0.590353062,0.585052841,3.602728895,1.307015856,0.299561155,0.691594804,0.250900193,0.415153313,0.296699129,0.125027984,5.209305907,6.179592601,12.7994792,0.537392205,0.836880426,4.173633807,1.794181195,0.475012209,0.647795396,0.278477311,0.55699891,0.559110908,0.315534061,6.442827211,10.32304028,20.32288018,0.471693094,1.431643879,3.76320271,1.443984599,0.348885291,0.677313452,0.25989304,0.452921992,0.362168862,0.169802397,5.556072599,7.250717812,14.70263544,0.515970177,0.984893251,4.290324481,1.893716656,0.510865551,0.640834097,0.282859305,0.588552919,0.622827052,0.365164119,6.694906688,11.28387251,22.12938756,0.461251145,1.57654409,4.178567342,1.795652595,0.474635957,0.647954833,0.278445142,0.558315455,0.560036332,0.315085661,6.448855894,10.33883489,20.34900554,0.471932249,1.433437448 +UMLRON0029,L,isopropylbenzene,CC(C)C1=CC=CC=C1,7406,"Sandia values from idependent api report and Co-optima database(source from the api report), averaged but because our independent api report matches UML values exactly I think we should go with UML values","Sandia, UML",[1],C9H12,PubChem,,102.1,0,2.2271,4.95997441,48.2855,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2126.719909,1982.460659,1272.316758,697.287531,421.79189,148.333248,18.289152,4670.34144,5841.481647,8080.20575,8578.927599,6803.264279,4249.12541,2367.4049,1470.09063,559.5073998,169.463656,175.052008,300.845524,364.457612,400.658136,312.780396,166.87892,105.566976,120.932352,34.11358067,43.47862034,62.52810234,69.86822116,60.81446311,40.41907011,22.04859796,14.69637043,8.003032287,3856.790689,3411.659229,6375.036452,7774.00066,9174.123052,7511.022367,4003.826014,2392.223529,3328.517736,49.33333333,59.55555556,87.66666667,107.4444444,103.2222222,70,36,27,18,60.70275442,67.17251842,50.63618831,38.87177763,22.32134663,15.49527847,17.57466208,9.8888832,1.016064,194.59756,243.3950686,192.3858512,168.2142666,119.3555137,94.42500911,98.64187085,98.00604198,31.08374443,7.060985667,7.293833667,7.162988667,7.146227686,7.029090105,6.950675467,6.953288333,7.0377984,6.718464,1.421399194,1.811609181,1.488764342,1.369965121,1.066920405,0.898201558,0.918691582,0.979758029,0.444612905,160.6996121,142.1524679,151.7865822,152.4313855,160.9495272,166.9116082,166.8260839,159.4815686,184.917652,2.055555556,2.481481481,2.087301587,2.106753813,1.810916179,1.555555556,1.5,1.8,1,0.049285068,-0.003402752,2.96E-04,-0.019867303,-0.022847155,0.010028907,0.011904254,-0.012516513,0.011762161,706.2183858,-1.07E-13,136.1992601,-320.3204821,-295.0983969,-2.522208521,40.35533633,-290.0539799,378.3312781,1313.243245,1.85E-13,253.2683401,-595.6496147,-548.7480703,-4.690154447,75.04247115,-539.3677614,703.523167,0.138343333,2.23E-15,0.0266805,-0.062748583,-0.05780775,-4.94E-04,0.007905333,-0.056819583,0.0741125,5.870808328,1.37E-14,1.13222732,-2.66283092,-2.453159194,-0.020967173,0.335474762,-2.411224849,3.14507589,31.89032402,-1.08E-13,6.150276775,-14.46453982,-13.32559968,-0.113894014,1.822304229,-13.09781165,17.08410215,4.87037037,-1.240740741,2.143518519,-1.331018519,-2.604166667,-0.891203704,1.518518519,-2.377314815,2.347222222,0.002053545,-1.42E-04,7.04E-06,-3.90E-04,-4.01E-04,2.23E-04,4.96E-04,-8.34E-04,6.53E-04,29.42576608,-4.44E-15,3.242839527,-6.280793768,-5.177164859,-0.056049078,1.681472347,-19.33693199,21.01840434,54.71846854,7.70E-15,6.030198574,-11.67940421,-9.627159127,-0.104225654,3.126769631,-35.95785076,39.08462039,0.005764306,9.28E-17,6.35E-04,-0.001230364,-0.001014171,-1.10E-05,3.29E-04,-0.003787972,0.004117361,0.244617014,5.71E-16,0.026957793,-0.052212371,-0.043037881,-4.66E-04,0.013978115,-0.160748323,0.174726438,1.328763501,-4.51E-15,0.146435161,-0.283618428,-0.23378245,-0.002530978,0.075929343,-0.873187443,0.949116786,0.202932099,-0.051697531,0.051036155,-0.026098402,-0.045687135,-0.019804527,0.063271605,-0.158487654,0.130401235,-0.069042259,0.00343039,-0.189698818,-0.195188014,0.108526793,0.241538759,-0.406338507,0.318207557,-1.51E-16,0.110204082,-0.213445378,-0.17593985,-0.001904762,0.057142857,-0.657142857,0.714285714,1.41E-16,0.110204082,-0.213445378,-0.17593985,-0.001904762,0.057142857,-0.657142857,0.714285714,1.61E-14,0.110204082,-0.213445378,-0.17593985,-0.001904762,0.057142857,-0.657142857,0.714285714,2.34E-15,0.110204082,-0.213445378,-0.17593985,-0.001904762,0.057142857,-0.657142857,0.714285714,-3.40E-15,0.110204082,-0.213445378,-0.17593985,-0.001904762,0.057142857,-0.657142857,0.714285714,-0.254752852,0.251493753,-0.128606576,-0.225135081,-0.097591888,0.311787072,-0.780988593,0.642585551,1.158498124,0.913373931,1.259193342,1.235210956,0.979917383,0.623083053,1.072253381,0.004132155,1.15,0.93877551,1.23697479,1.106766917,0.876190476,0.821428571,1.577142857,0,1.15,0.93877551,1.23697479,1.106766917,0.876190476,0.821428571,1.577142857,0,1.15,0.93877551,1.23697479,1.106766917,0.876190476,0.821428571,1.577142857,0,1.15,0.93877551,1.23697479,1.106766917,0.876190476,0.821428571,1.577142857,0,1.15,0.93877551,1.23697479,1.106766917,0.876190476,0.821428571,1.577142857,0,1.442965779,0.662140141,1.183180497,1.261156694,0.967807351,0.393536122,1.888973384,0,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,48.20642229,23.94987781,36.25686402,48.10242229,4.810242229,23.94987781,-0.173333333,0.327350035,0.032735004,-1.116725237,62.94720677,6.294720677,4.142296387,0,11.89,12.11015511,-0.1516392,0.071609308,5.925361354,8.915569697,10,24,21,18,4,3,0,0,0,6,15.304898,3.823473119,3.269532186,2.72417595,2.619181914,2.333552793,2.03423475,1.208656838,0.941428501,2.010155309,1.706442598,1.344886195,1.249629723,1.082250302,0.75545327,0.431896806,0.310513972,3.834368761,3.296501826,2.763929326,2.645815032,2.405454588,2.09041174,1.307107336,1.053336623,1.978530921,1.639567799,1.254436901,1.134540686,1.007167592,0.659785591,0.284416005,0.150156259,3.884550649,3.420774242,2.945651656,2.771820215,2.704236987,2.321654126,1.715238132,1.517793787,1.895088756,1.446511978,0.982853538,0.798620231,0.76031856,0.364891188,0.209063308,0.396843083,3.842505949,3.316703901,2.793650836,2.665925019,2.457539916,2.130959572,1.3785471,1.134811365,1.959333563,1.597168741,1.196073579,1.058262671,0.960278991,0.598058675,0.185560998,0.041902902,3.91061153,3.483988683,3.036663921,2.838982085,2.838078588,2.425693774,1.896403367,1.721464227,1.871444508,1.388505361,0.898762531,0.738564276,0.631337262,0.265461596,0.383723076,0.594311107,3.846903513,3.293825076,2.846399753,2.748161606,2.556211565,2.181511415,1.39678778,1.248880791,1.958493972,1.587802241,1.116493412,0.949068708,0.866482806,0.545489769,0.122074907,0.083726123,0,0,0,4,2,3,0,1,0,0,0,0,0.083333333,0.131445856,0,0,0,0.027777778,0.043815285,0.788675135,0,0.166666667,0,0.551566846,0,0.096225045,0,1.448688405,1.404193779,1.498266827,0.829344624,0.654083483,0.604819519,7.560477932,4.698377303,4.263968845,3.003322558,1.952529745,1.449135293,0.919957418,0.19245009,0.756047793,0.46983773,0.327997603,0.21452304,0.13946641,0.090570956,0.076663118,0.048112522,6.886751346,3.764742878,3.065384141,1.744016936,0.951353092,0.607122402,0.391191771,0.06415003,0.688675135,0.376474288,0.23579878,0.124572638,0.067953792,0.03794515,0.032599314,0.016037507,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.83802,44.171,41.38554761,57.2454538,82.77109522,8.277109522,41.38554761,0.164516426,0.016451643,-1.804744859,43.26675075,4.326675075,3.767384459,88,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,4,0,0,0,0,0,0,0,0,3,0,0,0,0,4,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.47222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.523888889,0,0.93125,0,0,1.523888889,0,0,0,0,0,0,0,0,6.541111111,0,0,0,0,8.712962963,0.653333333,0,0,0,2.759259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.337407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375347222,0,0.285972222,0,0,0.375347222,0,0,0,0,0,0,0,0,2.115185185,0,0,0,0,2.162037037,0.653333333,0,0,0,1.337407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.194444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.386597222,0,0.359305556,0,0,0.386597222,0,0,0,0,0,0,0,0,2.212962963,0,0,0,0,2.194444444,0.653333333,0,0,0,1.421851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.66666667,1.866666667,0.386597222,2.212962963,0.121944444,0.653333333,6.260454444,0.68,0.212962963,2.508148148,0.68,0.212962963,2.508148148,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.3,0.3,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.98832,0.69883,11.95289,4.96457,0.49646,2.70145,0.27014,4.69836,1.99691,0.19969,0.21564,0.02156,0.30164,0.03016,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.367492461,2.990601563,3.240601563,3.272055209,3.188721876,23.51685016,56.81981907,71.77443751,77.77443751,78.52932501,76.52932501,0.213713581,0.516360267,0.652263036,0.706789109,0.713649285,0.695473927,3.605093744,2.21747004,1.594360938,1.344360938,1.312907292,1.396240625,0.206076118,0.497907145,0.628953169,0.681530649,0.688145662,0.670619836,6.772325919,17.88939319,19.43339272,22.43339272,20.63306334,20.54907792,37.92632204,26.78820795,24.54912344,20.08671719,22.1198,22.33521355,8.1,3.408284024,2.285714286,2,6,0,2.56,1.28,0.721124785,3.888322594,3.867776753,0,3.301927249,7.065551058,0,1.310370697,0,0,0,0,0,0,0,0,0,0,0,0.003,0.147,0.132,0.49,0.657,4.666,13,14,14,16,12,4,0,0,0,93,2.63905733,3.157000421,3.590439381,3.986666548,4.466626252,4.1763085,3.446011397,0,0,0,5.7531677,3.378360215,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,6,1,2.5,1.333333333,0.5,0.382222222,0.236111111,0,0,0,0,0,0.25,0.102564103,0.045454545,0.063703704,0.078703704,0,0,0,0,0,0.540426055,24.79457074,37.39674508,49.58914148,4.958914148,24.79457074,0.015455772,0.001545577,-4.169772747,91.09660652,9.109660652,4.511920553,0,150.3504702,4.321928095,3.850147602,4.615120517,5.424950017,6.216606101,7.027314514,7.824445931,8.635331719,9.43356392,10.24448525,83.27196557,3.044522438,0,4.290459441,0,5.733341277,0,7.25629724,0,8.815963561,9.055672892,134.1095504,5.587897935,19.38570823,1.938570823,0,0,0,120,11,3.834,46,1.235929323,2.155114745,3.005584582,3.7271005,4.548111905,5.595663245,6.669378682,7.027030183,0,0,92.76161773,120.3296862,124.7880974,93.20469372,77.66654732,107.350237,66.21312854,7.139912396,0,0,323.5789178,444.8255627,527.7268846,476.0769814,455.3360163,576.0966087,655.6036105,218.4264103,0,0,9.045833162,15.49833667,21.52645001,26.27952167,31.69263058,38.95649931,46.94711524,47.21084931,0,0,2.362509317,3.387415228,4.250943409,4.175138544,4.259345903,5.283090959,6.550084093,3.124308302,0,0,173.7497847,322.8172038,454.738142,593.8649743,753.0492902,930.1286139,1062.896412,1299.421922,0,0,3.145468642,4.686431591,6.477988407,6.974434916,7.267088984,8.563075774,12.02836203,7.027030183,0,0,0.486472119,0.703875269,0.891754348,0.889512086,0.918300826,1.13624445,1.420340486,0.719567891,0,0,297.2982067,150.7370022,10.56391736,97.86820334,-49.62142136,-5.052360291,199.4300033,200.3584236,15.61627765,0.752336735,0.381451961,0.026732832,0.247663265,-0.12557095,-0.012785399,117.482265,59.56620002,4.174505298,38.67422657,-19.60871894,-1.996523078,0.122372365,0.115675334,1.377927834,1.087712147,395.16641,0,1,0,729.0594248,27.00110044,9.00024454,865.5271791,29.41984329,9.530014688,1280.84199,35.78885288,10.86005069,1.800381234,1.800381234,715.4922217,616.3925228,151.2657497,1.160773688,4.730034546,4.074898145,4.359371282,4.340761948,7.720528635,0.778611389,4.231371065,4.843393602,4.797889436,11.40981788,3.859301977,7.190473533,6.122310636,9.07644779,4.42338765,4.321434605,1.918199925,4.21250798,4.367577103,3.24974088,5.79E-04,4.31E-27,8.07E-72,3.02E-138,2.19E-226,0,0,0,0,0,0,0,0,0,0,0,0.355218465,4.769353178,0.356415754,6.981740852,0.496416354,1.010263736,1.367476253,1.474789668,1.108009213,0.340452457,0.087636402,0.441713072,0.36166201,0.022888193,4.08E-06,3.04E-29,5.69E-74,2.13E-140,1.54E-228,0,0,0,0,0,0,0,0,0,0,0,1.146422436,4.774301154,1.180379765,7.623341568,0.855337158,1.858271955,2.212985113,2.709768428,1.54256222,1.044401065,0.331162167,0.851357463,1.17070362,0.238512601,4.25E-05,3.17E-28,5.93E-73,2.22E-139,1.61E-227,0,0,0,0,0,0,0,0,0,0,0,3.994075281,4.83526477,4.496751913,11.04595379,3.537564272,6.665841374,5.786983047,8.499048223,4.134745028,4.03928329,1.760098003,3.854287001,4.119277392,2.895460619,5.16E-04,3.84E-27,7.19E-72,2.69E-138,1.95E-226,0,0,0,0,0,0,0,0,0,0,0,1.689559577,4.780716059,1.770541405,8.141652018,1.198971273,2.563181016,2.830531622,3.65157199,1.912779396,1.559901552,0.53697364,1.239473349,1.728654001,0.518081235,9.22E-05,6.88E-28,1.29E-72,4.82E-139,3.50E-227,0,0,0,0,0,0,0,0,0,0,0,5.109971111,4.87757414,5.946058798,12.862388,5.182107045,9.299044939,7.414109007,11.34150185,5.589381764,5.409757888,2.555850753,5.683464476,5.290394096,4.73944165,8.44E-04,6.29E-27,1.18E-71,4.41E-138,3.20E-226,0,0,0,0,0,0,0,0,0,0,0,2.375413794,3.919233551,2.321934724,8.664242836,1.741403933,3.606731084,3.803252205,4.826192735,2.399911705,2.160744513,0.693538864,1.842422472,2.488688994,0.932642482,1.66E-04,1.24E-27,2.32E-72,8.67E-139,6.29E-227,0,0,0,0,0,0,0,0,0,0,0,6.21280456,1.656985349,0.496589371,0.742591789,0.198052861,0.57223012,0.537395831,0.363705395,8.366379281,14.20258016,27.6811117,0.613887684,1.473331345,4.433847299,0.933659656,0.196853931,0.796829571,0.167792793,0.291438973,0.170491977,0.056796641,5.564360886,5.196319187,11.57559715,0.695244357,0.518727592,5.065684711,1.190576398,0.303318002,0.772257583,0.18150195,0.380421139,0.277335656,0.135238411,6.559579111,7.928721277,16.31763694,0.658386375,0.792995206,6.160379137,1.635670346,0.487756861,0.743665277,0.197453957,0.562613115,0.523652608,0.350841249,8.283806344,13.8789261,27.07754103,0.615497915,1.437106972,5.376594724,1.316993255,0.355703143,0.76271424,0.186826339,0.428553032,0.339403247,0.186189576,7.049291122,9.461869269,19.02987264,0.644071361,0.954145855,6.380277289,1.725075618,0.524804609,0.739300213,0.199889239,0.603497677,0.58249059,0.406355342,8.630157517,15.26018736,29.66658623,0.608950319,1.592343608,6.161976284,1.637762567,0.487597401,0.743541241,0.197622314,0.562907969,0.525002313,0.350685883,8.287336251,13.89498648,27.10308456,0.615311862,1.438596165 +UMLRON0030,L,para-Cymene,CC1=CC=C(C=C1)C(C)C,7463,"""1-methyl-4-isopropylbenzene""","Sandia, UML",[1],C10H14,PubChem,,110,0,1.4428,2.08167184,37.0376,22.081516,0,0,20,8,12,0,8,0,0,0,0,0,0,0,0,0,1166.305736,1299.398024,1580.904369,1352.997247,718.453515,271.517065,43.433712,2.032128,0,3761.140147,4764.97461,6574.92927,6559.846865,4385.34741,2015.653849,561.7960601,62.16748886,0,140.945696,145.735712,258.444036,352.4551,306.860268,192.531556,68.382144,13.436928,0,27.64655486,35.67373172,52.49007075,56.70180285,41.31232001,20.81383108,6.452923264,0.88922581,0,3233.366673,2851.825421,5402.63841,7980.551713,7262.514506,4833.415022,1753.791207,369.835304,0,41.52777778,47.25,69.58333333,86.58333333,75.83333333,44,14,2,0,58.3152868,64.9699012,43.91401025,27.05994494,16.32848898,9.697038036,4.3433712,1.016064,0,188.0570074,238.2487305,182.6369242,131.1969373,99.66698658,71.98763746,56.17960601,31.08374443,0,7.0472848,7.2867856,7.179001,7.049102,6.974097,6.876127,6.8382144,6.718464,0,1.382327743,1.783686586,1.458057521,1.134036057,0.938916364,0.74335111,0.645292326,0.444612905,0,161.6683337,142.5912711,150.0732892,159.6110343,165.0571479,172.6219651,175.3791207,184.917652,0,2.076388889,2.3625,1.93287037,1.731666667,1.723484848,1.571428571,1.4,1,0,0.059665907,-0.006046119,-0.026354901,-0.002263706,-0.003989215,0.002108518,6.61E-04,0.006051822,0,581.1168432,3.77E-13,-198.5482548,-169.4924126,-140.4365704,130.7512897,48.4264036,38.74112288,0,1080.611585,-1.85E-13,-369.208958,-315.1783788,-261.1477996,243.1376065,90.05096538,72.0407723,0,0.1138368,1.81E-15,-0.03889424,-0.0332024,-0.02751056,0.02561328,0.0094864,0.00758912,0,4.830836567,6.05E-15,-1.650535827,-1.408993999,-1.16745217,1.086938228,0.402569714,0.322055771,0,26.2411809,7.06E-14,-8.965736809,-7.653677764,-6.341618719,5.904265704,2.186765075,1.74941206,0,5.526388889,-0.379166667,-2.016944444,-0.513194444,-0.373333333,0.485277778,-0.199305556,0.233472222,0,0.002983295,-3.02E-04,-7.32E-04,-4.53E-05,-9.07E-05,7.53E-05,6.61E-05,0.003025911,0,29.05584216,1.88E-14,-5.515229299,-3.389848252,-3.191740237,4.669688919,4.84264036,19.37056144,0,54.03057923,-9.24E-15,-10.25580439,-6.303567576,-5.935177263,8.683485947,9.005096538,36.02038615,0,0.00569184,9.06E-17,-0.001080396,-6.64E-04,-6.25E-04,9.15E-04,9.49E-04,0.00379456,0,0.241541828,3.03E-16,-0.045848217,-0.02817988,-0.026533004,0.038819222,0.040256971,0.161027886,0,1.312059045,3.53E-15,-0.249048245,-0.153073555,-0.144127698,0.210866632,0.218676508,0.87470603,0,0.276319444,-0.018958333,-0.056026235,-0.010263889,-0.008484848,0.017331349,-0.019930556,0.116736111,0,-0.10133289,-0.245393264,-0.015175876,-0.030390548,0.025241962,0.022144857,1.014284833,0,6.48E-16,-0.189814815,-0.116666667,-0.109848485,0.160714286,0.166666667,0.666666667,0,-1.71E-16,-0.189814815,-0.116666667,-0.109848485,0.160714286,0.166666667,0.666666667,0,1.59E-14,-0.189814815,-0.116666667,-0.109848485,0.160714286,0.166666667,0.666666667,0,1.25E-15,-0.189814815,-0.116666667,-0.109848485,0.160714286,0.166666667,0.666666667,0,2.69E-15,-0.189814815,-0.116666667,-0.109848485,0.160714286,0.166666667,0.666666667,0,-0.068610204,-0.202758929,-0.037145011,-0.030706665,0.062722148,-0.072128676,0.422467957,0,1.205810102,1.164891109,0.890317752,0.961711454,0.943254356,1.070101449,0.00219502,0,1.1875,1.264467593,1.06875,0.989583333,0.636160714,0.59375,0,0,1.1875,1.264467593,1.06875,0.989583333,0.636160714,0.59375,0,0,1.1875,1.264467593,1.06875,0.989583333,0.636160714,0.59375,0,0,1.1875,1.264467593,1.06875,0.989583333,0.636160714,0.59375,0,0,1.1875,1.264467593,1.06875,0.989583333,0.636160714,0.59375,0,0,1.255843177,0.957666639,0.807941694,1.127567456,1.07439055,1.031414928,0,0,31.11524086,14.9967573,23.08481968,31.11524086,3.889405108,14.99675877,1.42E-14,0.033847493,0.004230937,-2.708712267,63.94441117,7.993051396,3.326411304,31.11524086,14.9967573,23.08481968,31.11524086,3.889405108,14.99675877,1.42E-14,0.033847493,0.004230937,-2.708712267,63.94441117,7.993051396,3.326411304,31.11524086,14.9967573,23.08481968,31.11524086,3.889405108,14.99675877,1.42E-14,0.033847493,0.004230937,-2.708712267,63.94441117,7.993051396,3.326411304,31.11524086,14.9967573,23.08481968,31.11524086,3.889405108,14.99675877,1.42E-14,0.033847493,0.004230937,-2.708712267,63.94441117,7.993051396,3.326411304,31.11524086,14.9967573,23.08481968,31.11524086,3.889405108,14.99675877,1.42E-14,0.033847493,0.004230937,-2.708712267,63.94441117,7.993051396,3.326411304,31.11524086,14.9967573,23.08481968,31.11524086,3.889405108,14.99675877,1.42E-14,0.033847493,0.004230937,-2.708712267,63.94441117,7.993051396,3.326411304,45.50301444,20.7444968,32.52248752,45.37844847,5.672306059,20.74449681,-0.498263889,0.02170389,0.002712986,-3.064211013,51.98570419,6.498213024,3.160775009,0,11.9,12.10012615,-0.162179478,0.046440508,5.536277473,8.693130026,8,20,18,18,6,2,2,0,0,2,13.118484,3.679015909,3.157611942,2.70103417,2.496447331,1.423487734,1.307802683,0.825819994,0.715411956,1.98103934,1.553299992,1.301682789,1.126987185,0.609523166,0.521826739,0.286920988,0.253966958,3.69864067,3.18199023,2.741117067,2.538077935,1.518394426,1.405893885,0.95393575,0.857199501,1.935090005,1.491376703,1.215188481,1.0359309,0.466332156,0.375961041,0.12238371,0.085675254,3.785974887,3.293446743,2.919929174,2.725096874,1.913607912,1.81179333,1.462170881,1.401721248,1.803645769,1.316499227,0.955841378,0.762833406,0.012915108,0.113049281,0.447201108,0.503260648,3.713148609,3.20018282,2.770832658,2.569023332,1.58739747,1.477027072,1.045506611,0.957183717,1.906176876,1.452538739,1.159566996,0.977341432,0.370332347,0.278123574,0.01081737,0.028813008,3.829239225,3.350127247,3.007511761,2.817188315,2.089492867,1.991596949,1.677447203,1.626716298,1.763667527,1.2645633,0.874385103,0.677304845,0.182396442,0.286520677,0.657895583,0.724946792,3.701421539,3.405105604,2.726965649,2.591459732,1.632831716,1.568506348,1.151461463,1.062343049,1.963194329,1.322943397,1.177803034,0.861428495,0.297891024,0.169381454,0.110882983,0.156270393,0,0,1,3,0,0,3,1,0,0,0,0,0.102062073,0.072168784,0,0,0,0.068041382,0.03928371,0.204124145,0,0,0,0.166666667,0,0,0,0.49279928,0.594861352,0.49279928,0.331927305,0.343013034,0.244531073,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,5.137828202,3.207908119,2.280238966,1.642956339,1.031097165,0.642956339,0.15713484,0.055555556,0.642228525,0.400988515,0.253359885,0.164295634,0.103109717,0.064295634,0.03928371,0.027777778,11.25096682,19.32702112,18.35294118,18.56,12.79132695,151.6549198,0.562548341,0.966351056,0.917647059,0.928,0.639566347,7.582745988,2.38108,36.138,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,3,0,0,4,3,0,4,0,0,0,0,0,0,0,0,0,1,3,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.30537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0.948958333,0,0,1.270069444,0.983263889,0,1.329930556,0,0,0,0,0,0,0,0,0,3.750462963,3.764074074,0,6.554907407,0,0.763888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.059027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0.316319444,0,0,0.286805556,0.315902778,0,0.316319444,0,0,0,0,0,0,0,0,0,3.750462963,1.211805556,0,2.059027778,0,0.763888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.750462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0.316319444,0,0,0.333680556,0.333680556,0,0.380972222,0,0,0,0,0,0,0,0,0,3.750462963,1.305555556,0,2.25,0,0.763888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.83333333,1.854166667,0.380972222,3.750462963,0.286805556,0.763888889,5.166957778,0.569444444,0.750462963,2.610740741,0.569444444,0.750462963,2.610740741,4,0.5,0,0,0.46,0.7,0.43333,0.43333,0.7,0.02667,0.02667,0,0,0.71429,0,0,0.125,0.125,0,6,0.75,4,0.5,2,0.25,-2,-0.25,0,0,5.64851,0.70606,8.02289,2.37438,0.2968,2.85095,0.35637,3.93185,1.0809,0.13511,-0.01785,-0.00223,0.06815,0.00852,0.3,8,0,0,0,0,0,0,0.5,0.970950594,2.421127473,3.246439345,3.68418372,3.921928095,3.821928095,19.41901189,48.42254947,64.92878689,73.6836744,78.4385619,76.4385619,0.224656814,0.560196149,0.751155335,0.852439846,0.907448715,0.884310893,3.3509775,1.900800622,1.07548875,0.637744375,0.4,0.5,0.217729674,0.542922884,0.727993974,0.826155446,0.879468154,0.857043772,6.79089428,17.73048353,19.66147099,22.7159685,22.95557323,21.75557323,30.6871717,21.47656038,18.50674388,14.47790083,13.89455552,15.28771238,6.125,3.111111111,1.8,2,2,2,2.34,1.0412,0,2.00414513,0.5,0,7.732315986,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.134,0.144,0.378,0.496,3.727,9,10,10,10,4,2,0,0,0,61,2.397895273,2.564949357,2.772588722,2.890371758,3.091042453,2.564949357,2.197224577,0,0,0,4.644390899,1.68852459,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,1,0.125,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,0,129.2949596,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,108.0939004,5.404695019,15.69266546,1.961583183,0,0,0,64,7,3.605,34,1.280749009,2.281450827,3.081228069,3.871664742,4.61652788,5.896397514,6.679223504,0,0,0,96.9081344,111.6061702,90.22507573,71.03366664,50.24982516,25.42690499,6.78651855,0,0,0,337.1417183,446.1889489,426.3836898,407.1300173,359.2199492,329.8744806,207.6152764,0,0,0,9.376375108,16.4329184,21.78046047,27.04522399,31.85003568,40.31423201,44.87412266,0,0,0,2.458104447,3.497160368,3.637188018,3.761628578,3.630008953,3.79384242,2.969668964,0,0,0,179.8947276,338.658502,487.2889259,635.955461,788.6093288,1034.630595,1235.106328,0,0,0,3.095578824,4.519856975,5.49392052,6.844122256,7.64493227,8.27775053,6.679223504,0,0,0,0.506023317,0.729896801,0.771398633,0.809085685,0.793101234,0.844919823,0.683952487,0,0,0,272.9639536,133.9045536,11.67330698,83.33892637,-40.88254725,-7.321960137,189.6250272,174.7871008,18.99526712,0.76610089,0.375816647,0.032762314,0.23389911,-0.114740996,-0.02054982,97.25784279,47.71057808,4.159232897,29.69389948,-14.56656933,-2.608835484,0.116024283,0.208656493,2.656529099,4.862416296,356.30288,0,1,0,506.0291795,22.49509234,7.968780301,623.3351739,24.96668128,8.542281483,816.2124308,28.56943176,9.345468291,2.194856283,2.117278297,459.4814051,362.2262343,127.4223471,1.268492896,3.605971917,2.842721412,4.011451491,4.101031439,7.346168202,0.791297704,3.755255381,3.332840624,4.848962162,14.39556814,10.72733355,7.9963762,8.92151681,5.173402027,3.327225086,1.321264458,1.979510821,0.498781183,8.96E-06,0.09381578,2.72E-19,1.52E-58,1.64E-119,3.40E-202,1.36E-306,0,0,0,0,0,0,0,0,0,0,0,0.315296473,3.332713399,0.451471523,5.577776891,5.008351078,1.333746687,0.434455012,1.037581066,0.241956919,0.111029284,0.018238907,0.004744089,6.31E-08,6.61E-04,1.91E-21,1.07E-60,1.15E-121,2.39E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,1.017465423,3.332722253,1.247793565,6.80548632,5.862702885,2.550427212,1.580712945,1.416596189,0.715117375,0.358044424,0.156324848,0.039770733,6.58E-07,0.006885547,1.99E-20,1.11E-59,1.20E-120,2.49E-203,9.99E-308,0,0,0,0,0,0,0,0,0,0,0,3.544663561,3.332826781,4.543914511,13.6533275,10.26648741,7.537798516,8.19459077,4.755639766,3.082944261,1.247167773,1.766667277,0.445252761,7.99E-06,0.083588171,2.42E-19,1.35E-58,1.46E-119,3.03E-202,1.21E-306,0,0,0,0,0,0,0,0,0,0,0,1.499482395,3.332733413,1.824521615,7.818165337,6.542129084,3.428190234,2.5416179,1.81490395,1.086427515,0.527618411,0.328984408,0.083357814,1.43E-06,0.014956329,4.33E-20,2.42E-59,2.61E-120,5.42E-203,2.17E-307,0,0,0,0,0,0,0,0,0,0,0,4.5349821,3.332898756,6.019105877,17.37358588,12.55936972,9.751844773,11.84843186,6.907044819,4.294592879,1.59561903,2.872914708,0.723409868,1.31E-05,0.136821499,3.96E-19,2.21E-58,2.38E-119,4.95E-202,1.99E-306,0,0,0,0,0,0,0,0,0,0,0,2.096995076,2.502726556,2.656418274,7.849426833,6.846616605,4.355824418,3.595608133,2.479273396,1.775488534,0.950800634,0.589567565,0.153222222,2.61E-06,0.027288418,7.90E-20,4.41E-59,4.76E-120,9.88E-203,3.96E-307,0,0,0,0,0,0,0,0,0,0,0,3.9141034,1.760859103,0.449094939,0.639135644,0.287531448,0.466960136,0.528986003,0.274796614,6.124057442,9.440781542,18.66008421,0.458703467,1.270742753,3.212319046,1.039697761,0.139958353,0.731406469,0.236726694,0.315630169,0.18751452,0.026456514,4.39197516,3.934946191,8.794359987,0.597109704,0.529601202,3.464860442,1.303153841,0.252448946,0.690147559,0.259568447,0.366339154,0.293722921,0.08647885,5.020463229,5.718926374,11.87925875,0.535221338,0.746540925,3.893829495,1.740502528,0.440308495,0.640997518,0.286519428,0.462120853,0.517257947,0.264118268,6.074640518,9.258064333,18.31677242,0.461496277,1.243497068,3.587792391,1.429790412,0.306679198,0.67385722,0.268542459,0.392520902,0.35262598,0.127815623,5.324262001,6.668579432,13.56604167,0.51078583,0.872962505,3.978704409,1.82553739,0.477039532,0.633422418,0.290631369,0.482573805,0.56697608,0.31016508,6.281281331,10.03212645,19.77827645,0.450133627,1.359714965,3.928973683,1.736174736,0.439412464,0.643612826,0.284406163,0.470474532,0.514783445,0.263093881,6.104560883,9.310721674,18.41268408,0.465419239,1.248351857 +UMLRON0031,L,4-vinylcyclohexene,C=CC1CCC=CC1,7499,,UML,[1],C8H12,PubChem,,77,0,1.5147,2.29431609,40.0862,20.74793,6,6,18,8,10,0,8,0,0,0,0,0,0,0,0,0,1164.273608,1275.183848,1508.261841,1250.044159,670.955547,289.634857,56.556864,3.048192,0,3698.972658,4535.501378,5886.509572,5455.451468,3699.216372,2058.624615,707.6164209,93.25123329,0,127.508768,131.500448,215.738244,255.20326,211.604268,166.456036,82.21824,20.155392,0,26.75732905,33.4466431,45.80880489,45.12577094,33.08094513,20.37324227,8.011080479,1.333838715,0,2863.531369,2545.580326,4483.903124,5646.065419,4769.052691,4030.154205,2091.831407,554.7529561,0,39.02777778,47.16666667,67.16666667,70.66666667,55.66666667,37.5,16,3,0,64.68186711,70.84354711,50.2753947,34.72344886,22.3651849,12.06811904,4.713072,1.016064,0,205.498481,251.9722988,196.2169857,151.5403185,123.3072124,85.77602562,58.96803508,31.08374443,0,7.083820444,7.305580444,7.1912748,7.088979444,7.0534756,6.935668167,6.85152,6.718464,0,1.48651828,1.858146839,1.526960163,1.253493637,1.102698171,0.848885095,0.66759004,0.444612905,0,159.0850761,141.4211292,149.4634375,156.8351505,158.968423,167.9230919,174.3192839,184.917652,0,2.168209877,2.62037037,2.238888889,1.962962963,1.855555556,1.5625,1.333333333,1,0,0.04788747,-0.001151418,-0.01550177,-0.009323014,-0.012553398,0.005902742,0.004368538,0.004314585,0,538.0711511,3.13E-13,-76.22674641,-67.25889389,-264.5516493,-4.483926259,71.74282015,71.74282015,0,1000.566282,-7.11E-14,-141.7468899,-125.0707852,-491.9450886,-8.33805235,133.4088376,133.4088376,0,0.105404444,1.52E-15,-0.014932296,-0.013175556,-0.051823852,-8.78E-04,0.014053926,0.014053926,0,4.472996822,4.05E-15,-0.63367455,-0.559124603,-2.199223437,-0.037274974,0.596399576,0.596399576,0,24.29738973,4.44E-14,-3.442130211,-3.037173716,-11.94621662,-0.202478248,3.239651964,3.239651964,0,3.841049383,-0.137345679,-0.255144033,-0.172839506,-1.968106996,-0.172325103,0.309670782,0.475565844,0,0.002660415,-6.40E-05,-5.17E-04,-2.59E-04,-4.18E-04,2.46E-04,3.64E-04,0.001438195,0,29.89284173,1.74E-14,-2.540891547,-1.868302608,-8.81838831,-0.186830261,5.978568346,23.91427338,0,55.58701566,-3.95E-15,-4.724896331,-3.474188479,-16.39816962,-0.347418848,11.11740313,44.46961253,0,0.005855802,8.46E-17,-4.98E-04,-3.66E-04,-0.001727462,-3.66E-05,0.00117116,0.004684642,0,0.248499823,2.25E-16,-0.021122485,-0.015531239,-0.073307448,-0.001553124,0.049699965,0.198799859,0,1.349854985,2.47E-15,-0.114737674,-0.084365937,-0.398207221,-0.008436594,0.269970997,1.079883988,0,0.213391632,-0.007630316,-0.008504801,-0.004801097,-0.065603567,-0.007180213,0.025805898,0.158521948,0,-0.024044254,-0.194227463,-0.097342939,-0.157286208,0.092447074,0.136837597,0.540590514,0,5.81E-16,-0.085,-0.0625,-0.295,-0.00625,0.2,0.8,0,-7.10E-17,-0.085,-0.0625,-0.295,-0.00625,0.2,0.8,0,1.44E-14,-0.085,-0.0625,-0.295,-0.00625,0.2,0.8,0,9.06E-16,-0.085,-0.0625,-0.295,-0.00625,0.2,0.8,0,1.83E-15,-0.085,-0.0625,-0.295,-0.00625,0.2,0.8,0,-0.035757332,-0.039855364,-0.022498996,-0.307432704,-0.033648051,0.120932101,0.742868622,0,1.037989453,1.092800598,1.034797131,1.17255776,0.827777597,0.703998097,0.262700961,0,1.0625,1.08375,1.009375,1.21125,0.8765625,0.6375,0,0,1.0625,1.08375,1.009375,1.21125,0.8765625,0.6375,0,0,1.0625,1.08375,1.009375,1.21125,0.8765625,0.6375,0,0,1.0625,1.08375,1.009375,1.21125,0.8765625,0.6375,0,0,1.0625,1.08375,1.009375,1.21125,0.8765625,0.6375,0,0,1.106468461,0.985576537,0.942547208,1.268340699,0.945108477,0.737645641,0,0,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,29.58989952,14.52678098,22.56708671,29.5676773,3.695959662,14.52678306,-0.088888889,0.390319451,0.048789931,-0.752631815,44.37253524,5.546566905,3.034096562,0,11.85,12.15008271,-0.210048528,0.090052896,5.447589186,8.129630703,8,18,15,12,2,3,0,0,0,6,10.93207,3.778338104,3.075106369,2.619181914,2.448940185,1.606133526,0.941428501,0.75010044,0.300101453,1.980511646,1.597047606,1.082250302,1.02499888,0.704115424,0.310513972,0.232431167,0.083923071,3.790516618,3.108532991,2.645815032,2.486516783,1.696155841,1.053336623,0.876575401,0.439305893,1.947260401,1.520375278,1.007167592,0.937107614,0.573754293,0.150156259,0.064536432,0.270913902,3.846032039,3.261037153,2.771820215,2.652915224,2.065523568,1.517793787,1.390101534,0.95638392,1.857564115,1.292203597,0.798620231,0.686507289,0.133546331,0.396843083,0.517420027,0.943918427,3.799583847,3.133513591,2.665925019,2.51424211,1.761202509,1.134811365,0.968002687,0.536342993,1.926879097,1.471135889,0.960278991,0.881838091,0.486048778,0.041902902,0.049400346,0.399277246,3.87446845,3.33728395,2.838078588,2.735176144,2.228105818,1.721464227,1.609909583,1.207644823,1.831627387,1.221738067,0.738564276,0.610498143,0.023603472,0.594311107,0.732186947,1.161353349,3.817371663,3.127691873,2.733079799,2.555167963,1.79092411,1.237867602,1.069479236,0.607031115,1.913847807,1.444075762,0.880194891,0.827340462,0.42168787,0.074082655,0.166758469,0.527472527,0,0,0,5,1,1,1,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.49279928,0.594861352,0.49279928,0.253933894,0.253933894,0.169289262,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,5.093858127,2.971343774,1.83915195,1.251072953,0.713712832,0.407100273,0.123928341,0.045360921,0.636732266,0.371417972,0.204350217,0.125107295,0.071371283,0.040710027,0.030982085,0.022680461,10.70913902,17.43918427,16.62745098,16.8,11.99277246,135.3693593,0.594952168,0.96884357,0.923747277,0.933333333,0.666265136,7.52051996,2.249,35.82,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,2,0,0,5,0,0,0,0,0,0,0,0,1,0,1,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.86490741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.095,0,0.645277778,0,0,2.095,0,0,0,0,0,0,0,0,2.162037037,0,1.139722222,0,0,10.45518519,0,0,0,0,1.409722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.409722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0.285972222,0,0,0.406597222,0,0,0,0,0,0,0,0,2.162037037,0,1.139722222,0,0,2.040833333,0,0,0,0,1.409722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.138888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.433055556,0,0.359305556,0,0,0.433055556,0,0,0,0,0,0,0,0,2.162037037,0,1.139722222,0,0,2.138888889,0,0,0,0,1.409722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.16666667,1.895833333,0.433055556,2.162037037,0.159722222,1.139722222,4.891390926,0.360277778,0.162037037,1.234444444,0.360277778,0.162037037,1.234444444,4,0.5,0,0,0.47778,0.7,0.43333,0.43333,0.7,0.04444,0.04444,0,0,0.71429,0,0,0.125,0.125,0,10,1.25,4,0.5,6,0.75,2,0.25,0,0,3.90009,0.48751,8.02289,4.12281,0.51535,1.94966,0.24371,3.93185,1.98218,0.24777,-0.01785,-0.00223,0.06815,0.00852,0.333333333,8,0,0,0,0,0,0,0.25,0.99107606,2.234984922,2.774401919,3.308270835,3.572431251,3.308270835,17.83936908,40.2297286,49.93923455,59.54887502,64.30376252,59.54887502,0.237672394,0.535977247,0.665336168,0.793364589,0.85671355,0.793364589,3.178848942,1.934940079,1.395523082,0.861654167,0.59749375,0.861654167,0.225638533,0.508839573,0.631648775,0.753194844,0.813336311,0.753194844,6.714395846,15.53453833,19.04285928,22.48460326,22.75083074,19.58090574,29.66949396,24.70322396,20.71495057,16.56023473,15.96274098,19.54770348,6.125,3.111111111,1.8,2,6,2,2.34,0.9982,0,2.00414513,0.5,0,7.732315986,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,3.919,9,10,10,10,4,2,0,0,0,61,2.48490665,2.917770732,3.358637767,3.752440936,4.150055169,3.270044111,2.784239339,0,0,0,5.346214275,3.423155738,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,2,0.25,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,0,115.7585009,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,106.0782503,5.893236129,15.69266546,1.961583183,0,0,0,64,7,2.938,34,1.232127986,2.167551661,2.978890941,3.844102222,4.583801355,5.496638831,6.220278543,0,0,0,96.47528551,117.8734334,108.7637669,93.02847258,58.56735403,25.49527965,6.320201097,0,0,0,331.9271515,448.7318028,470.1371881,493.6253954,408.5537546,321.0277651,193.3495485,0,0,0,9.03080713,15.63249621,21.17383392,27.1566162,31.8511339,37.64554702,41.79071746,0,0,0,2.40593799,3.446635947,3.858917542,4.357022195,4.003514552,3.644726325,2.765616112,0,0,0,172.4187124,320.849613,462.9208533,608.0778515,765.0916594,959.3477307,1150.239303,0,0,0,3.327001279,4.994226217,5.987842291,7.250041466,7.308954228,7.291815075,6.220278543,0,0,0,0.494734492,0.71690508,0.812876677,0.928724972,0.869167433,0.809872067,0.636956523,0,0,0,240.0242237,105.9257391,10.65412288,81.92373705,-36.1539859,-4.781169785,158.1004867,142.079725,15.43529266,0.745537332,0.329015096,0.033092686,0.254462668,-0.112297608,-0.014850753,77.27530936,34.10257571,3.430073134,26.37518008,-11.63970204,-1.539287863,0.140554929,0.139904669,3.535345639,1.891919658,321.9479608,0,1,0,602.7210856,24.55037852,8.447057718,700.6530078,26.46985092,8.881800151,969.535829,31.1373703,9.897403764,1.77494952,1.77494952,392.1575765,320.6629682,107.029726,1.22295873,3.664006172,2.996017838,3.753839471,3.785524729,6.661528955,0.759737271,3.197416829,2.821356819,3.479769094,8.057634602,4.012685415,3.507567048,3.561349468,3.91434869,3.440288179,2.690364695,1.746453417,0.549171909,1.80E-05,4.16E-31,1.96E-78,1.86E-147,3.51E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0.268446646,2.821253369,0.277055038,3.116040792,0.963957297,1.196584823,0.262529379,0.837052438,0.540023393,0.186568429,0.07852217,0.003867863,1.27E-07,2.93E-33,1.38E-80,1.31E-149,2.47E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0.866311904,2.821260555,0.903595604,3.597640697,1.263460585,1.602435804,0.806647968,1.371286835,0.950044058,0.628105668,0.298316298,0.040306111,1.32E-06,3.06E-32,1.44E-79,1.37E-148,2.58E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,3.018107373,2.821345557,3.274078191,7.568648648,3.711846,3.342787833,3.31367691,3.692737501,3.198355708,2.512482794,1.601656158,0.489302284,1.61E-05,3.71E-31,1.75E-78,1.66E-147,3.13E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,1.27672766,2.821269624,1.341772794,4.084746305,1.564908318,1.900597874,1.218542626,1.765905043,1.285545566,0.951855291,0.485026368,0.087550259,2.87E-06,6.64E-32,3.13E-79,2.97E-148,5.59E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,3.861319036,2.821404109,4.252276169,10.07984664,5.256222143,4.144128596,4.530282411,4.772595489,4.409154262,3.376914221,2.331041178,0.800915617,2.63E-05,6.07E-31,2.86E-78,2.71E-147,5.12E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,1.701678481,2.396487163,1.769637182,4.383235991,2.061906597,2.347466492,1.728822478,2.163383445,1.757908138,1.35391928,0.72556628,0.1527946,5.01E-06,1.16E-31,5.46E-79,5.18E-148,9.76E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,4.097047474,1.517507408,0.403595622,0.680781823,0.252155111,0.572840039,0.438784969,0.282292953,6.018150504,8.483309663,17.01073518,0.521172735,1.293917961,2.958917988,0.841450761,0.169651946,0.745315507,0.211951228,0.298859634,0.13508198,0.049917895,3.970020695,3.134523747,7.526941108,0.617973261,0.483859508,3.349355568,1.073429626,0.249925534,0.716790694,0.229723107,0.382890143,0.219728722,0.108302674,4.672710729,4.700664449,10.27193183,0.575186042,0.710921538,4.061726859,1.496533368,0.396337575,0.682116071,0.251324005,0.563008438,0.426754904,0.272236872,5.954597802,8.281457156,16.64519678,0.523174107,1.262000214,3.546919407,1.190787799,0.290536081,0.705399322,0.236819846,0.429372935,0.270341065,0.146338846,5.028243287,5.600103238,11.85546295,0.558098984,0.846052846,4.210646571,1.584962358,0.426938438,0.676675696,0.254712783,0.605037913,0.478606271,0.315869851,6.222547367,9.148084542,18.21989793,0.515013544,1.399514036,4.063590645,1.497373563,0.395527447,0.682212094,0.251385152,0.563497625,0.427196243,0.271139614,5.956491655,8.284227176,16.64738991,0.523318141,1.261833482 +UMLRON0032,L,Ethylbenzene,CCC1=CC=CC=C1,7500,"[4] has MON of 124, RON from [4]; using Sand/UML, 2/3 src. have same val","Sandia, UML","[1], [4]",C8H10,PubChem,,107,0,1.9153,3.66837409,39.8829,19.414344,6,6,16,8,8,0,8,0,0,0,0,0,0,0,0,0,1162.24148,1250.969672,1468.892385,1209.658639,620.495067,249.249337,41.401584,2.032128,0,3636.805169,4306.028145,5449.048489,4986.906641,3178.102417,1590.079788,499.6285713,62.16748886,0,114.07184,117.265184,174.229956,206.976508,169.696812,118.229284,54.945216,13.436928,0,25.86810324,31.21955448,41.13433324,40.00668639,27.73754208,15.25415772,5.563697454,0.88922581,0,2493.696065,2239.33523,3469.782525,4447.027168,3786.727196,2831.115954,1383.955903,369.835304,0,43.77777778,50,64.66666667,68,53.66666667,32,12,2,0,72.6400925,78.1856045,61.20384937,41.71236686,25.85396112,14.66172571,5.175198,1.016064,0,227.3003231,269.1267591,227.0436871,171.962298,132.4209341,93.53410519,62.45357141,31.08374443,0,7.12949,7.329074,7.2595815,7.137120966,7.0707005,6.954663765,6.868152,6.718464,0,1.616756452,1.951222155,1.713930552,1.37954091,1.15573092,0.897303395,0.695462182,0.444612905,0,155.8560041,139.9584519,144.5742719,153.3457644,157.7802998,166.5362326,172.9944879,184.917652,0,2.736111111,3.125,2.694444444,2.344827586,2.236111111,1.882352941,1.5,1,0,0.060116247,-0.007827441,-0.01828461,-6.73E-04,-0.016138408,0.001887748,0.004369269,0.006607999,0,484.264036,2.84E-13,-121.066009,-90.79950675,-181.5990135,30.26650225,60.5330045,60.5330045,0,900.5096538,0,-225.1274134,-168.8455601,-337.6911202,56.28185336,112.5637067,112.5637067,0,0.094864,1.10E-15,-0.023716,-0.017787,-0.035574,0.005929,0.011858,0.011858,0,4.025697139,2.66E-15,-1.006424285,-0.754818214,-1.509636427,0.251606071,0.503212142,0.503212142,0,21.86765075,3.20E-14,-5.466912688,-4.100184516,-8.200369033,1.366728172,2.733456344,2.733456344,0,5.75,-1.388888889,-1.625,0.744791667,-1.319444444,-0.053819444,0.180555556,0.586805556,0,0.003757265,-4.89E-04,-7.62E-04,-2.32E-05,-6.72E-04,1.11E-04,5.46E-04,0.003304,0,30.26650225,1.78E-14,-5.044417042,-3.131017474,-7.566625562,1.780382485,7.566625562,30.26650225,0,56.28185336,0,-9.380308893,-5.822260692,-14.07046334,3.310697256,14.07046334,56.28185336,0,0.005929,6.85E-17,-9.88E-04,-6.13E-04,-0.00148225,3.49E-04,0.00148225,0.005929,0,0.251606071,1.67E-16,-0.041934345,-0.026028214,-0.062901518,0.014800357,0.062901518,0.251606071,0,1.366728172,2.00E-15,-0.227788029,-0.141385673,-0.341682043,0.080395775,0.341682043,1.366728172,0,0.359375,-0.086805556,-0.067708333,0.025682471,-0.054976852,-0.00316585,0.022569444,0.293402778,0,-0.130205091,-0.202769478,-0.006173602,-0.178968898,0.029554465,0.145360665,0.879362865,0,5.87E-16,-0.166666667,-0.103448276,-0.25,0.058823529,0.25,1,0,0,-0.166666667,-0.103448276,-0.25,0.058823529,0.25,1,0,1.16E-14,-0.166666667,-0.103448276,-0.25,0.058823529,0.25,1,0,6.62E-16,-0.166666667,-0.103448276,-0.25,0.058823529,0.25,1,0,1.46E-15,-0.166666667,-0.103448276,-0.25,0.058823529,0.25,1,0,-0.241545894,-0.188405797,0.071464268,-0.152979066,-0.008809321,0.062801932,0.816425121,0,1.079824717,1.047778526,0.888013533,1.179827091,0.997322345,0.81704671,0.008511861,0,0.9375,1.09375,1.034482759,1.171875,0.882352941,0.703125,0,0,0.9375,1.09375,1.034482759,1.171875,0.882352941,0.703125,0,0,0.9375,1.09375,1.034482759,1.171875,0.882352941,0.703125,0,0,0.9375,1.09375,1.034482759,1.171875,0.882352941,0.703125,0,0,0.9375,1.09375,1.034482759,1.171875,0.882352941,0.703125,0,0,1.25,0.942028986,0.714642679,1.219806763,1.150895141,0.97826087,0,0,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,27.86605434,13.72677795,20.99826265,27.76883211,3.471104014,13.72678277,-0.194444444,0.153109648,0.019138706,-1.501280767,43.2491459,5.406143238,3.013581988,0,11.85,12.15008271,-0.207942191,0.092213119,5.479089237,8.298380197,8,16,12,9,1,4,1,0,0,7,8.745656,3.785864566,3.119114842,2.619181914,2.405784561,1.156381864,0.941428501,0.725052607,0.280174019,1.97015401,1.510684438,1.082250302,0.923353579,0.418558502,0.310513972,0.230006578,0.083923071,3.797092469,3.142658279,2.645815032,2.436280005,1.256520403,1.053336623,0.856879173,0.423280306,1.940232039,1.448493337,1.007167592,0.84110369,0.266782494,0.150156259,0.061529565,0.270913902,3.848106914,3.251531273,2.771820215,2.579349753,1.677747189,1.517793787,1.382064135,0.955137705,1.858666052,1.274269266,0.798620231,0.609505433,0.243738908,0.396843083,0.524357009,0.943918427,3.805443782,3.160295577,2.665925019,2.459251261,1.329712097,1.134811365,0.951373269,0.523078219,1.92179759,1.409589943,0.960278991,0.789465099,0.164816966,0.041902902,0.052901622,0.399277246,3.874117747,3.30755171,2.838078588,2.653730538,1.865625664,1.721464227,1.604206803,1.207644823,1.834898222,1.223139785,0.738564276,0.541794863,0.42484266,0.594311107,0.742016485,1.165965378,3.766653884,3.288458759,2.646350658,2.472789285,1.405901381,1.174708269,1.00012017,0.545084816,1.96120136,1.311557416,0.959453141,0.757374811,0.087295333,0.018394213,0.118420625,0.48,0,0,1,6,1,0,0,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.018518519,0.204124145,0,0,0,0.096225045,0,0,0,0.49279928,0.594861352,0.49279928,0.179152493,0.174792465,0.119434995,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,4.671208396,2.607607028,1.614807748,1.035274752,0.589121682,0.33516754,0.082397958,0.02618914,0.58390105,0.325950878,0.179423083,0.103527475,0.058912168,0.033516754,0.02059949,0.01309457,10.16731122,15.55134741,14.90196078,15.04,11.19421796,119.0837988,0.635456951,0.971959213,0.931372549,0.94,0.699638623,7.442737425,2.14689,35.471,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,5,0,0,0,1,7,0,0,0,0,0,0,0,0,0,1,0,0,1,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.66666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0.45,2.25,0,0,0,0.45,3.15,0,0,0,0,0,0,0,0,0,3.630925926,0,0,1.833333333,10.0287963,0,0,0,0,1.173611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.173611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0.45,0.45,0,0,0,0.45,0.45,0,0,0,0,0,0,0,0,0,3.630925926,0,0,1.833333333,1.993055556,0,0,0,0,1.173611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.630925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0.45,0.45,0,0,0,0.45,0.45,0,0,0,0,0,0,0,0,0,3.630925926,0,0,1.833333333,2.020833333,0,0,0,0,1.173611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.66666667,2.083333333,0.45,3.630925926,0.25,1.173611111,4.901300093,0.493055556,0.630925926,1.345185185,0.493055556,0.630925926,1.345185185,4,0.5,0,0,0.5,0.7,0.43333,0.43333,0.7,0.06667,0.06667,0,0,0.71429,0,0,0.125,0.125,0,11.5,1.4375,4,0.5,7.5,0.9375,3.5,0.4375,0,0,2.74153,0.34269,8.02289,5.28136,0.66017,1.36793,0.17099,3.93185,2.56391,0.32049,-0.01785,-0.00223,0.06815,0.00852,0.375,8,0,0,0,0,0,0,0,1,1.530639062,2.280639062,3.125,3.5,3.125,16,24.490225,36.490225,50,56,50,0.25,0.382659766,0.570159766,0.78125,0.875,0.78125,3,2.469360938,1.719360938,0.875,0.5,0.875,0.231378213,0.354156531,0.527690191,0.723056916,0.809823746,0.723056916,6.503912516,12.87158126,17.41272572,23.75978129,22.76369381,18.26369381,28,26.10300624,23.43383437,17,17.5,22,6.125,3.111111111,1.8,2,8,2,2.34,0.9552,0,2.00414513,0.5,0,7.732315986,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.156,0.16,0.593,0.791,3.812,9,10,10,10,4,2,0,0,0,61,2.564949357,2.970414466,3.457892725,3.852803646,4.251170232,3.595598464,3.446011397,0,0,0,5.526945848,4.104508197,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,1,0.125,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,0,113.1220422,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,104.0626003,6.503912516,15.69266546,1.961583183,0,0,0,64,7,2.937,34,1.223143984,2.191162888,3.004142699,3.877279722,4.62405939,5.562832053,6.325978194,0,0,0,103.703345,141.1981378,128.2664022,106.1071097,71.06657574,28.49988778,6.427598708,0,0,0,348.0386033,514.7401536,528.8885067,527.4954839,448.5479303,345.239961,196.6350895,0,0,0,8.990339138,15.93392046,21.4842862,27.43612349,32.22215453,38.19597962,42.50085676,0,0,0,2.488942949,3.851643538,4.231059399,4.558736803,4.267505549,3.851316768,2.812611541,0,0,0,169.5814233,315.0228985,457.3260991,610.4049996,765.1174798,963.1673967,1169.785034,0,0,0,3.927761855,6.018668497,7.187084409,8.784626209,8.962288575,8.361660245,6.325978194,0,0,0,0.510482241,0.796921869,0.886843263,0.968473156,0.922135537,0.853092297,0.647780167,0,0,0,219.7161834,105.1911401,13.04942476,105.1642905,-50.34836961,-6.949340052,114.5518929,155.5395097,19.99876482,0.676298519,0.323784125,0.040166848,0.323701481,-0.154975056,-0.021390452,71.38149779,34.17454744,4.239503301,34.16582453,-16.35720218,-2.257704889,0.130218973,0.204979273,3.531750969,4.654244287,324.8804739,0,1,0,637.4954083,25.24867142,8.60648244,716.6901953,26.77107012,8.949054529,1018.6297,31.91597876,10.06171731,1.900871391,1.900871391,368.2596053,290.9102002,97.06016757,1.265887566,3.794137333,2.997215104,3.630487172,3.785524729,6.992606262,0.847196033,2.884614086,1.014009041,4.066987988,6.276305684,1.0109625,3.585627192,3.799295941,4.525879818,1.530518317,2.425067599,1.499623542,0.203038918,0.994548179,6.59E-12,8.43E-45,2.08E-99,9.89E-176,9.08E-274,0,0,0,0,0,0,0,0,0,0,0,0,0.242216695,1.014008084,0.309496826,0.987959533,0.373309899,2.069769955,1.213767347,1.194756836,0.122975693,0.131996748,0.079671977,0.00143002,0.007004684,4.64E-14,5.94E-47,1.46E-101,6.97E-178,6.39E-276,0,0,0,0,0,0,0,0,0,0,0,0,0.781586336,1.014008271,1.019085033,1.563948485,0.447943909,2.359024596,1.613947194,1.715180083,0.286210354,0.473229722,0.287620853,0.014901908,0.072994209,4.84E-13,6.19E-46,1.53E-100,7.26E-177,6.66E-275,0,0,0,0,0,0,0,0,0,0,0,0,2.722848411,1.014008979,3.816652323,5.77444406,0.952283143,3.485694094,3.595877568,4.265514437,1.400456013,2.2398186,1.383723913,0.180904021,0.886124522,5.88E-12,7.51E-45,1.85E-99,8.82E-176,8.09E-274,0,0,0,0,0,0,0,0,0,0,0,0,1.151846686,1.014008401,1.523237107,2.108839064,0.515664184,2.563575989,1.92653975,2.119802077,0.435106207,0.74513441,0.454687116,0.032368935,0.158553177,1.05E-12,1.34E-45,3.32E-100,1.58E-176,1.45E-274,0,0,0,0,0,0,0,0,0,0,0,0,3.483559569,1.014009273,5.016922797,8.336707167,1.250528584,3.963733918,4.603709072,5.553974947,2.061918317,3.161906464,1.961642333,0.29611318,1.450455049,9.62E-12,1.23E-44,3.03E-99,1.44E-175,1.32E-273,0,0,0,0,0,0,0,0,0,0,0,0,1.49543903,0.904323087,1.783644588,2.349905471,0.695300632,2.683067569,2.066869428,2.726270099,0.633655627,1.021951342,0.656032338,0.046780167,0.2291439,1.52E-12,1.94E-45,4.79E-100,2.28E-176,2.09E-274,0,0,0,0,0,0,0,0,0,0,0,0,3.938520537,1.568156216,0.260291614,0.68294471,0.271920378,0.515722639,0.44003137,0.218828273,5.766968367,7.609557243,14.9841427,0.524417064,1.174582282,2.714091167,0.838198403,0.096013002,0.743932586,0.229750243,0.244897178,0.124453405,0.026382271,3.648302572,2.616012867,6.482739919,0.615898879,0.395732854,3.107333258,1.072212656,0.149313944,0.717817938,0.24768939,0.320996961,0.204408245,0.067387627,4.328859857,3.955786527,8.782118942,0.576726907,0.592792832,3.89671494,1.543189623,0.254741689,0.68427691,0.27098955,0.504829981,0.426019726,0.209095838,5.694646252,7.399140534,14.62564283,0.526415365,1.139945545,3.316473559,1.196883773,0.177395442,0.707023738,0.255158144,0.365662334,0.255176493,0.097171769,4.690752774,4.770082406,10.16499457,0.560535607,0.718010596,4.074820149,1.649565551,0.278370219,0.678824894,0.27480137,0.552044524,0.487302881,0.252119165,6.002755919,8.315181445,16.18905372,0.518237341,1.291466571,3.909379121,1.53733322,0.254358235,0.685727193,0.269656935,0.508055554,0.422781929,0.208717263,5.701070576,7.39543453,14.62520278,0.528590789,1.139554745 +UMLRON0033,L,styrene,C=CC1=CC=CC=C1,7501,Sandia values from independent api report ,Sandia,,C8H8,PubChem,,103,0,0.9048,0.81866304,37.5993,18.456344,6,6,16,8,8,0,7,0,1,0,0,0,0,0,0,0,1273.94536,1346.769408,1566.676873,1299.358967,674.402615,265.376329,54.524736,3.048192,0,3429.679045,4064.453346,5056.735605,4502.981765,2929.701557,1672.093419,645.4489321,93.25123329,0,119.88304,122.25192,192.596596,196.115756,163.460324,127.700452,68.781312,20.155392,0,23.72240724,28.32043448,36.27456577,33.94724362,24.24120362,15.7889257,7.121854669,1.333838715,0,2552.352995,2292.433175,3835.778413,4041.290719,3507.564322,3016.300231,1721.996103,554.7529561,0,47.02777778,51.5,72.83333333,68.66666667,51.66666667,31.5,14,3,0,79.621585,84.173088,62.66707492,49.97534488,30.65466432,14.74312939,5.4524736,1.016064,0,214.3549403,254.0283341,202.2694242,173.1916063,133.1682526,92.89407882,64.54489321,31.08374443,0,7.49269,7.640745,7.70386384,7.542913692,7.430014727,7.094469556,6.8781312,6.718464,0,1.482650452,1.770027155,1.450982631,1.305663216,1.101872892,0.877162539,0.712185467,0.444612905,0,159.5220622,143.2770734,153.4311365,155.4342584,159.4347419,167.572235,172.1996103,184.917652,0,2.939236111,3.21875,2.913333333,2.641025641,2.348484848,1.75,1.4,1,0,0.170369255,-0.043221815,-0.03926932,0.006435707,-0.022354319,-0.00927398,0.012598153,0.009900947,0,543.054135,20.945973,-72.07837669,-131.6542736,-262.9447669,-2.618246625,77.60924662,99.21337669,0,844.7408722,-46.18524912,13.3734264,-213.728811,-415.2253393,5.773156141,80.88520285,152.7371779,0,1.007631,0.018387,-0.305412937,-0.172315875,-0.192343125,-0.002298375,0.096500625,0.053667187,0,3.861248463,-0.482480838,0.348461208,-0.954988721,-1.708400336,0.060310105,0.206098889,0.600375462,0,21.56644259,-3.103814896,2.262620707,-5.25843266,-9.086578759,0.387976862,0.883320451,3.131686999,0,7.442708333,-0.144097222,-1.896592882,-0.705512153,-2.697265625,-0.253255208,0.990668403,0.984700521,0,0.010648078,-0.002701363,-0.001570773,2.48E-04,-0.001016105,-5.15E-04,0.001259815,0.003300316,0,33.94088344,1.309123313,-2.883135067,-5.063625909,-11.95203486,-0.145458146,7.760924662,33.07112556,0,52.79630451,-2.88657807,0.534937056,-8.220338883,-18.87387906,0.320730897,8.088520285,50.91239262,0,0.062976938,0.001149188,-0.012216517,-0.006627534,-0.008742869,-1.28E-04,0.009650062,0.017889062,0,0.241328029,-0.030155052,0.013938448,-0.036730335,-0.077654561,0.003350561,0.020609889,0.200125154,0,1.347902662,-0.193988431,0.090504828,-0.20224741,-0.413026307,0.02155427,0.088332045,1.043895666,0,0.465169271,-0.009006076,-0.075863715,-0.027135083,-0.122602983,-0.014069734,0.09906684,0.328233507,0,-0.253694924,-0.14751702,0.023246185,-0.095426177,-0.0483863,0.118313864,0.309944705,0,0.038570691,-0.084945787,-0.149189573,-0.352142715,-0.004285632,0.228660066,0.97437433,0,-0.054673866,0.010132093,-0.155699134,-0.357484851,0.006074874,0.153202395,0.964317353,0,0.018247751,-0.193983988,-0.105237471,-0.138826524,-0.002027528,0.153231689,0.284057358,0,-0.124954621,0.057757271,-0.152200868,-0.321780114,0.013883847,0.085401969,0.829266102,0,-0.143918724,0.067144929,-0.150046005,-0.306421464,0.015990969,0.065532955,0.774459236,0,-0.019360858,-0.163088407,-0.058333782,-0.263566385,-0.030246482,0.212969443,0.705621647,0,1.158205327,1.46756067,1.083418225,1.067530584,0.629391909,0.178585127,0.003415232,0,0.863463951,1.058821854,1.091649861,1.280147627,0.915545735,0.6688063,0,0,1.037624036,0.912888206,1.079910675,1.262355741,0.929509189,0.799514103,0,0,0.855342878,1.56891362,1.206063071,1.146408574,0.54483073,0.070609181,0,0,1.160356841,0.90327782,1.092730885,1.224889528,0.870797283,0.781942132,0,0,1.192244431,0.915147457,1.099312093,1.211313994,0.844979528,0.76047489,0,0,0.871238628,1.308887334,1.059374495,1.245626312,0.797760672,0.403079076,0,0,22.61050027,11.43025014,17.04465439,22.79800027,2.849750034,11.43029839,0.25,0.135029887,0.016878736,-1.601807311,47.9674372,5.99592965,3.096417911,22.61899796,11.43413177,17.05094403,22.80594715,2.850743393,11.43417983,0.249265579,0.135437054,0.016929632,-1.599398637,47.94204961,5.992756201,3.095994385,30.30456665,14.95278609,23.16382983,30.20481803,3.775602254,14.95278735,-0.398994478,0.399477746,0.049934718,-0.734077777,43.0990853,5.387385662,3.010801419,22.62791705,11.43820592,17.05754718,22.81428815,2.851786018,11.43825377,0.2484948,0.135864135,0.016983017,-1.596879922,47.91573316,5.989466645,3.095555127,38.62629667,18.7720012,30.20860857,38.3557231,4.794465388,18.77200123,-1.082294264,0.535704345,0.066963043,-0.499338292,31.49186427,3.936483034,2.759783388,23.50330425,11.83821922,17.71328539,23.63315489,2.954144361,11.83825066,0.173134186,0.176367443,0.02204593,-1.388148572,46.73298945,5.841623681,3.075560262,21.95815569,10.99997319,16.38868148,22.10545212,2.763181514,11.00005364,0.413605442,0.065440248,0.008180031,-2.181294239,50.14853684,6.268567105,3.131991471,0,11.85,15.99491639,-0.348675213,0.105164645,4.660590023,7.342634063,8,16,13,10,2,3,0,0,0,6,10.661656,3.766842139,2.984172865,2.619181914,2.445171661,1.228883067,0.941428501,0.690660533,0.107770261,1.929136121,1.419804803,1.082250302,0.967287576,0.310513972,0.239550769,0.083923071,0.083923071,3.755775342,2.88551421,2.645815032,2.48201622,1.091979087,1.053336623,0.76719018,0.270913902,1.914982218,1.38838197,1.007167592,0.904292275,0.150156259,0.08379992,0.107436056,0.270913902,3.826651508,3.138270217,2.771820215,2.651594666,1.562583604,1.517793787,1.336607129,0.943918427,1.816325779,1.064557485,0.798620231,0.681602348,0.396843083,0.472373782,0.680741196,0.943918427,3.758630551,2.873051932,2.665925019,2.51148735,1.134811365,1.104720884,0.828417247,0.399277246,1.906589605,1.370157479,0.960278991,0.861166487,0.041902902,0.003678515,0.135275596,0.399277246,3.84717544,3.188769109,2.838078588,2.728062377,1.721464227,1.684105313,1.523663297,1.207644823,1.795444599,1.006587679,0.738564276,0.610165105,0.594311107,0.634761391,0.845625821,1.207644823,3.81268455,3.172827911,2.705142425,2.529043438,1.555473184,1.217490681,1.024048234,0.512195122,1.860148589,1.176597971,0.905650187,0.824167992,0.056187812,0.135938595,0.423581568,0.512195122,0,0,0,6,0,0,0,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.01309457,0.204124145,0,0,0,0.068041382,0,0,0,0.49279928,0.594861352,0.49279928,0.146608802,0.146608802,0.097739201,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,4.794999636,2.523056038,1.517176675,0.978907426,0.556577991,0.316378431,0.071550061,0.02618914,0.599374955,0.315382005,0.168575186,0.097890743,0.055657799,0.031637843,0.017887515,0.01309457,9.88211032,15.8820102,15.25098039,15.44,10.67445749,120.4956251,0.617631895,0.992625637,0.953186275,0.965,0.667153593,7.530976572,2.19599,35.055,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,1,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,5,0,0,0,0,0,0,0,0,1,0,0,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.914166667,10.59046296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.482222222,0,0,0,0,2.482222222,0,0,0,0,0,0,0,0,1.662037037,0,0,0,0,9.680740741,0,0,0,0,0.909722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.914166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.914166667,0.909722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.473055556,0,0,0,0,0.473055556,0,0,0,0,0,0,0,0,1.662037037,0,0,0,0,1.916666667,0,0,0,0,0.909722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.914166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.914166667,1.960833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.517708333,0,0,0,0,0.517708333,0,0,0,0,0,0,0,0,1.662037037,0,0,0,0,1.960833333,0,0,0,0,0.909722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.914166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.16666667,2.145833333,0.535972222,4.914166667,0.272083333,0.909722222,3.794485926,0.756944444,1.414166667,2.828333333,0.756944444,1.414166667,2.828333333,3.83333,0.47917,0,0.02083,0.54792,0.79583,0.43333,0.4803,0.79583,0.11458,0.06761,-0.04697,0,0.60209,0.1122,0,0.13043,0.13043,0,11,1.375,4.5,0.5625,6.5,0.8125,2,0.25,0.5,0.0625,3.01453,0.37682,8.02289,5.00837,0.62605,1.44723,0.1809,3.93185,2.48462,0.31058,-0.01785,-0.00223,0.06815,0.00852,0.375,8.01,0,1,1,1,0,0,0.142857143,1.271782222,2.251614472,2.555036533,3.155639062,3.452819531,3.155639062,20.34851555,36.02583155,40.88058452,50.490225,55.2451125,50.490225,0.317945555,0.562903618,0.638759133,0.788909766,0.863204883,0.788909766,2.728217778,1.748385528,1.444963467,0.844360938,0.547180469,0.844360938,0.299388871,0.530050116,0.601478374,0.742865563,0.812824494,0.742865563,10.76402783,17.27636205,20.91742678,24.78938876,25.08889467,21.52272905,27.91485331,24.71237006,21.63119751,17.46691719,16.85845859,20.50921015,6.125,3.111111111,1.8,2,7,0,2.12,0.916,0,1.34123076,0.5,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.344,0.35,0.738,0.678,3.78,9,10,10,10,4,2,0,0,0,61,2.48490665,2.917770732,3.358637767,3.752440936,4.150055169,3.270044111,2.784239339,0,0,0,5.346214275,3.423155738,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,2,0.25,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,9.23,107.252743,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,108.0575149,6.75359468,15.69266546,1.961583183,2.761188405,2.761188405,0,64,7,1.267,34,1.230581484,2.153332839,2.997369304,3.834379809,4.328101472,5.260649928,6.027313303,0,0,0,112.7327021,144.4420694,154.413897,123.1832738,69.10432689,28.37859096,6.124136064,0,0,0,329.6805758,456.9908928,526.1777068,514.9408208,424.6835529,337.24793,187.3514663,0,0,0,9.47510871,16.63935364,22.68066968,28.63184122,30.90452194,36.17246469,40.49428744,0,0,0,2.256138535,3.242158557,3.948755066,4.20255789,3.946423903,3.72816518,2.679821276,0,0,0,175.1584146,327.4747931,462.9757421,614.6039907,719.4668832,906.7561203,1114.556624,0,0,0,4.122105605,6.454405824,8.117356653,9.129328364,7.894312679,7.33741344,6.027313303,0,0,0,0.499724428,0.732961502,0.902554042,0.967369107,0.877300444,0.824453212,0.617196882,0,0,0,224.1649731,132.9296361,13.21739452,85.9321393,-50.95768461,-10.74798404,138.2328338,183.8873207,23.96537856,0.722886361,0.42867099,0.042623404,0.277113639,-0.164328149,-0.034660058,69.51291087,41.2210963,4.098675874,26.64730826,-15.80183085,-3.332918815,0.12672565,0.587953769,0.737289899,12.50795909,288.8234005,21.2737119,0.931396614,0.068603386,678.6363847,26.05065037,8.787777387,757.1942348,27.51716255,9.114561218,1091.059634,33.03119183,10.29475849,1.741276564,1.741276564,372.7513824,299.2814426,101.2476025,1.24548779,3.68158231,2.955936093,3.612210444,3.785524729,6.494290706,0.715558918,2.639619182,1.378629535,5.135810553,6.836322367,2.049408197,3.753677201,3.065173644,2.967191568,4.03719978,1.108196692,0.009307524,1.683519806,7.84E-12,1.18E-44,3.46E-99,1.95E-175,2.11E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0.221638872,1.546206441,0.488022997,1.620528328,0.194008258,1.956249937,2.181725602,0.644368576,0.146598501,0.090605565,4.08E-04,0.011857168,5.52E-14,8.34E-47,2.43E-101,1.37E-177,1.49E-275,0,0,0,0,0,0,0,0,0,0,0,0,0,0.715198302,1.234577282,1.175624585,1.761882495,0.572652645,1.605088808,1.869958519,0.94783167,0.577983743,0.294065399,0.001562332,0.123560829,5.76E-13,8.69E-46,2.54E-100,1.43E-176,1.55E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,2.491593233,1.545571343,5.588748009,6.799576713,1.935867367,4.038573736,3.272307093,3.160108531,3.720866175,1.044396953,0.00852847,1.499985838,6.99E-12,1.05E-44,3.08E-99,1.73E-175,1.88E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,1.054012032,1.116155784,1.514952581,2.069939831,0.832585682,1.610669343,1.824482428,1.106551597,0.969106745,0.434996576,0.002551485,0.268390631,1.25E-12,1.89E-45,5.51E-100,3.10E-176,3.37E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,3.187697601,1.484374546,6.848952979,9.289612263,2.470127018,4.546893118,3.542081854,3.887645492,5.552878801,1.346129392,0.012457944,2.455255417,1.14E-11,1.73E-44,5.04E-99,2.84E-175,3.08E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,1.385034939,1.74771407,3.558863509,4.037860328,0.914311629,3.646996579,3.195265337,2.124295631,1.505215827,0.573275924,0.003609534,0.441661056,2.06E-12,3.11E-45,9.06E-100,5.10E-176,5.54E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,3.886035496,1.562935907,0.210799764,0.686606469,0.276148251,0.542804265,0.432429203,0.321093812,5.659771167,7.222266299,14.16235606,0.529909703,1.296327279,2.643742926,0.815318523,0.159029343,0.730701101,0.22534496,0.254181544,0.117503888,0.135926634,3.618090792,2.705584849,6.66646221,0.596051652,0.507612066,3.036045754,1.098539839,0.15875721,0.707151954,0.255870516,0.331433925,0.213520983,0.173172304,4.293342803,3.991612487,8.814445069,0.560727932,0.718127212,3.820715063,1.510553917,0.217576846,0.688560321,0.272228489,0.524696025,0.403856776,0.332784415,5.548845826,6.931356795,13.73592478,0.532840481,1.261337216,3.266599182,1.245145097,0.16044903,0.69915754,0.266501194,0.383499388,0.274425699,0.186551448,4.672193308,4.791294946,10.11609703,0.548736311,0.844476535,4.01206714,1.626291966,0.221905301,0.684622205,0.277511705,0.578590121,0.468201849,0.35505202,5.860264407,7.775974331,15.08412479,0.526933308,1.40184399,3.835173888,1.528663366,0.211235035,0.687914647,0.274196152,0.528651267,0.41364587,0.319118945,5.575072289,6.995720176,13.80919796,0.531871971,1.261416082 +UMLRON0034,L,Methoxybenzene,COC1=CC=CC=C1,7519,"""methoxybenzene""; ""methyl phenyl ether""","Sandia, UML",[1],C7H8O,PubChem,,103.2,0,0.998,0.996004,25.5026,12.800758,0,0,11,5,6,0,5,0,0,0,0,0,0,0,0,0,727.416989,793.963133,867.621725,152.397504,7.112448,0,0,0,0,2304.086975,2806.004207,3525.50765,1594.425607,217.586211,0,0,0,0,78.013364,80.408372,129.832628,132.440832,47.029248,0,0,0,0,16.61217743,20.62576586,27.75164462,16.47482205,3.112290334,0,0,0,0,1743.477693,1552.707067,2656.360005,3131.894137,1294.423564,0,0,0,0,24.25,29,42,30,7,0,0,0,0,66.12881718,72.17846664,48.20120694,8.020921263,1.016064,0,0,0,0,209.4624523,255.0912915,195.8615361,83.91713723,31.08374443,0,0,0,0,7.092124,7.309852,7.212923778,6.970570105,6.718464,0,0,0,0,1.510197948,1.875069624,1.541758035,0.867095898,0.444612905,0,0,0,0,158.4979721,141.1551879,147.5755558,164.8365335,184.917652,0,0,0,0,2.204545455,2.636363636,2.333333333,1.578947368,1,0,0,0,0,0.038385726,-0.001000188,-0.018250679,-0.018915241,0.018973244,0,0,0,0,330.1800245,-1.42E-14,-155.084557,-185.1009229,175.0954676,0,0,0,0,613.9838548,2.13E-13,-288.3863561,-344.2030701,325.5974988,0,0,0,0,0.06468,5.20E-16,-0.03038,-0.03626,0.0343,0,0,0,0,2.744793504,-1.28E-15,-1.289221191,-1.538747874,1.455572313,0,0,0,0,14.90976188,2.98E-14,-7.003069973,-8.358502871,7.906691905,0,0,0,0,2.409090909,0.113636364,-1.169421488,-1.320247934,1.171487603,0,0,0,0,0.003489611,-9.09E-05,-0.001013927,-9.96E-04,0.002710463,0,0,0,0,30.01636587,-1.29E-15,-8.615808721,-9.742153834,25.01363822,0,0,0,0,55.81671408,1.94E-14,-16.02146423,-18.11595106,46.5139284,0,0,0,0,0.00588,4.73E-17,-0.001687778,-0.001908421,0.0049,0,0,0,0,0.249526682,-1.16E-16,-0.0716234,-0.08098673,0.207938902,0,0,0,0,1.355432898,2.70E-15,-0.389059443,-0.439921204,1.129527415,0,0,0,0,0.219008264,0.010330579,-0.06496786,-0.069486733,0.167355372,0,0,0,0,-0.02605624,-0.290555721,-0.285286483,0.776723542,0,0,0,0,-4.30E-17,-0.287037037,-0.324561404,0.833333333,0,0,0,0,3.47E-16,-0.287037037,-0.324561404,0.833333333,0,0,0,0,8.05E-15,-0.287037037,-0.324561404,0.833333333,0,0,0,0,-4.65E-16,-0.287037037,-0.324561404,0.833333333,0,0,0,0,2.00E-15,-0.287037037,-0.324561404,0.833333333,0,0,0,0,0.047169811,-0.296645702,-0.317279047,0.764150943,0,0,0,0,0.996870989,1.245779149,1.117965934,0.052720243,0,0,0,0,1,1.222222222,1.157894737,0,0,0,0,0,1,1.222222222,1.157894737,0,0,0,0,0,1,1.222222222,1.157894737,0,0,0,0,0,1,1.222222222,1.157894737,0,0,0,0,0,1,1.222222222,1.157894737,0,0,0,0,0,0.943396226,1.268343816,1.146971202,0,0,0,0,0,9.62054032,4.81027016,7.428304149,9.62054032,1.924108064,4.833017639,-1.78E-15,3.33E-16,6.66E-17,-17.81909414,2000006.919,400001.3839,7.254330599,9.62054032,4.81027016,7.428304149,9.62054032,1.924108064,4.833017639,-1.78E-15,3.33E-16,6.66E-17,-17.81909414,2000006.919,400001.3839,7.254330599,9.62054032,4.81027016,7.428304149,9.62054032,1.924108064,4.833017639,-1.78E-15,3.33E-16,6.66E-17,-17.81909414,2000006.919,400001.3839,7.254330599,9.62054032,4.81027016,7.428304149,9.62054032,1.924108064,4.833017639,-1.78E-15,3.33E-16,6.66E-17,-17.81909414,2000006.919,400001.3839,7.254330599,9.62054032,4.81027016,7.428304149,9.62054032,1.924108064,4.833017639,-1.78E-15,3.33E-16,6.66E-17,-17.81909414,2000006.919,400001.3839,7.254330599,9.62054032,4.81027016,7.428304149,9.62054032,1.924108064,4.833017639,-1.78E-15,3.33E-16,6.66E-17,-17.81909414,2000006.919,400001.3839,7.254330599,10.53766741,5.086188389,7.865563444,10.52433408,2.104866815,5.104545384,-0.066666667,0,0,0,2000007.898,400001.5796,7.254330844,0,11.8,12.2000303,-0.273112479,0.127188109,6.161157018,6.565168448,5,11,9,9,3,2,2,0,0,2,6.559242,3.667553189,2.426821709,2.197250276,0.832506146,0.679380678,0.083923071,0.214869462,0.342898638,1.622825513,1.595457607,0.607845426,0.342898638,0.214869462,0.083923071,0.679380678,0.832506146,3.684026951,2.457362652,2.247566164,0.961630182,0.820279949,0.270913902,0.043564548,0.186448751,1.564090626,1.549366047,0.472826418,0.186448751,0.043564548,0.270913902,0.820279949,0.961630182,3.75804736,2.602811579,2.474115979,1.471018255,1.366485912,0.943918427,0.558628764,0.341106848,1.422567485,1.397041684,0.033013394,0.341106848,0.558628764,0.943918427,1.366485912,1.471018255,3.69624093,2.480489252,2.285044829,1.053690909,0.920086984,0.399277246,0.073150218,0.081212006,1.527166285,1.520809738,0.383128865,0.081212006,0.073150218,0.399277246,0.920086984,1.053690909,3.795188656,2.67944162,2.585009677,1.686053834,1.593259861,1.207644823,0.786651143,0.528203203,1.385615038,1.346925969,0.116957127,0.528203203,0.786651143,1.207644823,1.593259861,1.686053834,3.716556031,2.547412463,2.264985939,1.15084209,1.03162355,0.526315789,0.192369689,0.031534905,1.541164691,1.452676181,0.309904847,0.031534905,0.192369689,0.526315789,1.03162355,1.15084209,0,0,0,4,0,0,1,0,0,0,0,0.176776695,0,0,0,0,0.07856742,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.535533906,2.5,1.767766953,1.25,0.883883476,0,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0,0,0,3.016507858,1.816496581,1.092006961,0.655442165,0.392837101,0,0,0,0.603301572,0.363299316,0.218401392,0.131088433,0.07856742,0,0,0,6.625483411,10.66351056,10.17647059,10.28,7.395663473,82.57015449,0.602316674,0.969410051,0.92513369,0.934545455,0.672333043,7.506377681,1.35488,22.357,14,18.61803399,28,5.6,14.000001,1.11E-16,2.22E-17,-18.36840028,19.22543377,3.845086753,1.478117039,20,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,1,0,4,0,0,0,0,0,0,0,0,0,0,1,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.619444444,0,0,0,0.380555556,0,1.619444444,0,0,0,0,0,0,0,0,0,0,1.138888889,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.3875,0,0,0,0.380555556,0,0.3875,0,0,0,0,0,0,0,0,0,0,1.138888889,0,2.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,0,0,0.380555556,0,0.422222222,0,0,0,0,0,0,0,0,0,0,1.138888889,0,2.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.5,1.9,0.422222222,2.125,0.380555556,1.138888889,2.890055556,0.361111111,0.125,0.722222222,0.361111111,0.125,0.722222222,2.5,0.5,0,0,0.48182,0.7,0.43333,0.43333,0.7,0.04848,0.04848,0,0,0.71429,0,0,0,0,0,5.5,1.1,2.5,0.5,3,0.6,0.5,0.1,0,0,1.84868,0.36974,3.75,1.90132,0.38026,1.23246,0.24649,2.5,1.26754,0.25351,-0.086,-0.0172,0,0,0.454545455,5,0,0,0,0,0,0,0.2,0.994030211,2.186704346,2.55034071,2.55034071,2.55034071,2.55034071,10.93433233,24.05374781,28.05374781,28.05374781,28.05374781,28.05374781,0.28733917,0.632099312,0.737213794,0.737213794,0.737213794,0.737213794,2.465401407,1.272727273,0.909090909,0.909090909,0.909090909,0.909090909,0.26862489,0.590930947,0.689199367,0.689199367,0.689199367,0.689199367,6.685280239,15.49151432,15.85799615,15.85799615,15.85799615,15.85799615,18.37331062,15.63617634,15.30204426,15.30204426,15.30204426,15.30204426,3.2,1.44,0.64,0,4,0,2.01,0.6185,0,0,0,0,7.071067812,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.115,0.112,0.477,0.52,2.505,5,5,5,0,0,0,0,0,0,25,2.079441542,2.302585093,2.564949357,2.833213344,0,0,0,0,0,0,3.912023005,1.96,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,8.618033989,12,2.4,6.006204681,0,0,0,13.96759521,2.793519041,1.318370009,0,77.40700573,3.321928095,3.044522438,3.713572067,4.394449155,5.081404365,5.771441123,6.463029457,7.155396302,7.848153086,8.541105011,62.013073,2.397895273,0,3.433987204,2.397895273,4.615120517,4.262679877,5.860786223,5.888877958,7.147559271,7.6989362,66.04695019,6.004268199,9.6875,1.9375,0,0,0,15,0,2.074,20,1.244407197,2.197825853,3.026067712,4.182732976,0,0,0,0,0,0,99.86866233,109.3267203,25.7809415,4.249924399,0,0,0,0,0,0,340.9171812,439.607417,265.3210956,130.0150029,0,0,0,0,0,0,9.128588657,15.87127804,21.14772958,28.10154092,0,0,0,0,0,0,2.460744665,3.44263887,2.714908475,1.859697059,0,0,0,0,0,0,173.6525284,323.0451618,494.4803382,773.461161,0,0,0,0,0,0,3.402685203,5.186608955,4.897622834,4.182732976,0,0,0,0,0,0,0.505599503,0.718170762,0.59157297,0.428311857,0,0,0,0,0,0,179.5646658,55.28408616,9.194608437,93.30814888,-28.72756575,-5.64981386,86.25651692,84.01165191,14.8444223,0.658052602,0.202600198,0.033695582,0.341947398,-0.105278226,-0.020704935,48.99831577,15.0855242,2.508958684,25.46125722,-7.838971724,-1.54168061,0.199585414,0.260744154,5.836944841,5.403834276,272.8728147,0,1,0,363.0319831,19.0533982,7.133701989,422.0034487,20.54272253,7.500761101,501.1588456,22.38657735,7.943132371,1.133512128,1.048099936,114.7216476,59.87829147,58.17281505,1.915913845,1.972083481,1.029317412,2.647276617,3.35080253,4.40119956,0.313476256,2.000046889,2.526586398,0.919070024,1.262229075,3.696185317,1.050895639,3.295245943,0.687421678,2.85E-16,3.70E-53,9.72E-112,4.95E-192,4.87E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.167859467,2.526543846,0.077225862,0.123608814,0.308597818,0.088194389,0.023208687,0.004841567,2.01E-18,2.60E-55,6.84E-114,3.49E-194,3.43E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.541847981,2.52654683,0.244183682,0.201304259,0.997243949,0.284702238,0.241852409,0.050452862,2.09E-17,2.71E-54,7.13E-113,3.64E-193,3.58E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.887881688,2.526581776,0.865806361,1.137788314,3.487797523,0.991959758,2.936004809,0.61248034,2.54E-16,3.29E-53,8.66E-112,4.41E-192,4.34E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.798579371,2.526550571,0.36024412,0.300579681,1.470819016,0.419598716,0.525335749,0.109590358,4.55E-17,5.89E-54,1.55E-112,7.90E-193,7.77E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.415344142,2.526605803,1.118241779,1.785124959,4.468889348,1.269108678,4.805806516,1.002539913,4.16E-16,5.39E-53,1.42E-111,7.22E-192,7.11E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.030807127,2.277282755,0.499739845,0.445046473,2.041987185,0.558975927,0.912810511,0.190421518,7.90E-17,1.02E-53,2.69E-112,1.37E-192,1.35E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.646769263,1.53316925,0.150158338,0.494510922,0.460397796,0.56623166,0.462128292,0.181815026,3.330096851,3.002270278,6.711483296,0.432363076,1.210174978,0.881312778,0.869428492,0.025188273,0.49625436,0.489562491,0.150020099,0.156808078,0.005116061,1.775929544,0.81033659,2.605566357,0.478725276,0.311944237,1.133241594,1.101845585,0.067539856,0.492151606,0.478516741,0.26808059,0.239667391,0.036783705,2.302627035,1.399614714,3.78657588,0.456002521,0.544531686,1.622223093,1.512558716,0.146209804,0.494430734,0.461006578,0.549478585,0.449812919,0.172378864,3.280991614,2.912043514,6.551791248,0.433155969,1.171670368,1.267686177,1.214824659,0.089174764,0.492939797,0.472384594,0.33554431,0.290672939,0.064123577,2.571685599,1.761393744,4.470409945,0.447986587,0.690340826,1.725909704,1.599619546,0.162888894,0.49475425,0.45855155,0.62195895,0.502973903,0.213950517,3.488418143,3.302490677,7.240612298,0.4299587,1.33888337,1.619455252,1.513634795,0.145982148,0.493876059,0.461604596,0.547610813,0.450614036,0.171842437,3.279072195,2.908639034,6.545551987,0.433220982,1.170067287 +UMLRON0035,L,"1,3-cyclopentadiene",C1C=CC=C1,7612,,UML,[1],C5H6,PubChem,,100.3,0,1.0335,1.06812225,43.4114,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1701.970378,1446.800888,977.687261,648.773499,289.634857,56.556864,3.048192,4184.657049,5188.491512,6800.056683,6462.249813,4847.489258,3531.910628,2058.624615,707.6164209,93.25123329,148.486212,153.276228,258.467752,318.08816,274.113716,210.805932,166.456036,82.21824,20.155392,30.43545486,38.46263172,53.49649503,54.1472998,42.43996687,31.74308232,20.37324227,8.011080479,1.333838715,3360.161029,2978.619777,5408.105323,7125.020574,6285.269863,4832.6429,4030.154205,2091.831407,554.7529561,43.27777778,52.41666667,76.33333333,82.83333333,67.66666667,53.5,37.5,16,3,62.40808843,68.74581643,47.27695494,32.15113084,25.06890413,21.6257833,12.06811904,4.713072,1.016064,199.2693833,247.0710244,188.8904634,143.6055514,124.2945964,117.7303543,85.77602562,58.96803508,31.08374443,7.070772,7.298868,7.179659778,7.068625778,7.028556821,7.0268644,6.935668167,6.85152,6.718464,1.449307374,1.831553891,1.486013751,1.203273329,1.088204279,1.058102744,0.848885095,0.66759004,0.444612905,160.0076681,141.839037,150.2251479,158.3337905,161.1607657,161.0880967,167.9230919,174.3192839,184.917652,2.060846561,2.496031746,2.12037037,1.840740741,1.735042735,1.783333333,1.5625,1.333333333,1,0.052276906,-0.001172414,-0.019610677,-0.009912737,-0.001743149,-0.001491751,2.81E-06,0.003530592,0.004258875,622.6251891,4.05E-13,-116.1245392,-54.35616731,-84.00498584,-163.0685019,-19.76587902,59.29763706,66.70984169,1157.798126,-2.84E-14,-215.9385394,-101.0776142,-156.2108583,-303.2328426,-36.75549607,110.2664882,124.0497992,0.121968,1.88E-15,-0.022748,-0.010648,-0.016456,-0.031944,-0.003872,0.011616,0.013068,5.175896322,1.02E-14,-0.965345743,-0.451863965,-0.698335218,-1.355591894,-0.164314169,0.492942507,0.55456032,28.11555097,4.40E-14,-5.243773395,-2.454532227,-3.793367988,-7.363596682,-0.892557174,2.677671521,3.012380461,4.145502646,0.088624339,-0.143613001,-0.534013605,-0.489795918,-1.168178382,-0.364701436,0.139077853,0.399848828,0.002489376,-5.58E-05,-5.45E-04,-2.20E-04,-4.47E-05,-4.97E-05,1.17E-07,2.94E-04,0.001419625,29.64881853,1.93E-14,-3.225681646,-1.207914829,-2.153973996,-5.435616731,-0.823578293,4.941469755,22.2366139,55.13324411,-1.35E-15,-5.998292762,-2.246169204,-4.005406623,-10.10776142,-1.531479003,9.188874018,41.34993308,0.005808,8.94E-17,-6.32E-04,-2.37E-04,-4.22E-04,-0.0010648,-1.61E-04,9.68E-04,0.004356,0.246471253,4.84E-16,-0.02681516,-0.010041421,-0.017906031,-0.045186396,-0.006846424,0.041078542,0.18485344,1.33883576,2.09E-15,-0.145660372,-0.054545161,-0.097265846,-0.245453223,-0.037189882,0.223139293,1.00412682,0.197404888,0.004220207,-0.00398925,-0.011866969,-0.01255887,-0.038939279,-0.015195893,0.011589821,0.133282943,-0.022427003,-0.218826293,-0.088489248,-0.017954752,-0.019974893,4.70E-05,0.118188631,0.570273371,6.50E-16,-0.108796296,-0.040740741,-0.072649573,-0.183333333,-0.027777778,0.166666667,0.75,-2.45E-17,-0.108796296,-0.040740741,-0.072649573,-0.183333333,-0.027777778,0.166666667,0.75,1.54E-14,-0.108796296,-0.040740741,-0.072649573,-0.183333333,-0.027777778,0.166666667,0.75,1.96E-15,-0.108796296,-0.040740741,-0.072649573,-0.183333333,-0.027777778,0.166666667,0.75,1.56E-15,-0.108796296,-0.040740741,-0.072649573,-0.183333333,-0.027777778,0.166666667,0.75,0.02137843,-0.020208466,-0.060114869,-0.063619852,-0.197255903,-0.076978302,0.058710913,0.675175495,1.08103745,1.135884545,0.984899871,0.967972223,1.041064875,0.95201655,0.782663158,0.287552565,1.111111111,1.134259259,0.99382716,0.997150997,1.101851852,0.891203704,0.648148148,0,1.111111111,1.134259259,0.99382716,0.997150997,1.101851852,0.891203704,0.648148148,0,1.111111111,1.134259259,0.99382716,0.997150997,1.101851852,0.891203704,0.648148148,0,1.111111111,1.134259259,0.99382716,0.997150997,1.101851852,0.891203704,0.648148148,0,1.111111111,1.134259259,0.99382716,0.997150997,1.101851852,0.891203704,0.648148148,0,1.091257179,0.973463093,0.978302489,0.96043395,1.206126356,1.030232929,0.804084237,0,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,42.5255533,20.93370521,33.67217425,42.48028581,4.720031757,20.93370521,-0.135802469,0.446314879,0.049590542,-0.726057512,36.50784149,4.056426832,3.237774366,0,11.85,12.15009716,-0.210044223,0.090072698,5.287292424,8.444005922,9,21,18,15,3,3,0,0,0,6,13.118484,3.782771282,3.217181512,2.666935933,2.619181914,2.057455151,1.358834672,0.941428501,0.749263518,1.986993095,1.704083039,1.231816315,1.082250302,0.859123734,0.6145015,0.310513972,0.232410074,3.795009657,3.24984449,2.700116221,2.645815032,2.119778364,1.464765672,1.053336623,0.876009767,1.953168085,1.634195773,1.142552134,1.007167592,0.756638472,0.468245882,0.150156259,0.064507002,3.850861647,3.395068557,2.855919381,2.771820215,2.380138286,1.89267219,1.517793787,1.389965584,1.862480449,1.424178606,0.888893523,0.798620231,0.429056668,0.029582283,0.396843083,0.517527975,3.804124236,3.274026461,2.725091602,2.665925019,2.165054536,1.540896411,1.134811365,0.967572151,1.932500126,1.58918854,1.086148251,0.960278991,0.689411384,0.36961218,0.041902902,0.049437603,3.879525295,3.466046858,2.937335231,2.838078588,2.497666914,2.078051399,1.721464227,1.609830081,1.836357816,1.358132532,0.814930271,0.738564276,0.316540888,0.209646882,0.594311107,0.732373528,3.840167169,3.247866331,2.760003471,2.756006987,2.202509977,1.579410962,1.254613319,1.084563756,1.913739634,1.574874618,1.035303012,0.85935819,0.618019006,0.294932158,0.088737885,0.180833734,0,0,0,5,1,1,2,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.65464793,0.637136847,0.219416097,0.297409508,0.242502443,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,5.800964908,3.471343774,2.23559856,1.381499797,0.933352372,0.533909221,0.197141522,0.087630571,0.644551656,0.385704864,0.223559856,0.125590891,0.077779364,0.044492435,0.03285692,0.021907643,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,2.6391,40.437,37.50463196,54.26687178,75.00926391,8.334362657,37.50463196,0.136437528,0.015159725,-1.792699594,35.3218919,3.924654656,3.208052645,81,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,3,0,0,5,0,0,0,0,0,0,0,0,1,0,2,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.01601852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.05600907,0,0.899893707,0,0,2.05600907,0,0,0,0,0,0,0,0,2.201388889,0,2.449259259,0,0,10.57157407,0,0,0,0,1.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0,0.25461593,0,0,0.396597222,0,0,0,0,0,0,0,0,2.201388889,0,1.209166667,0,0,2.054722222,0,0,0,0,1.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.170138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.427953515,0,0.359305556,0,0,0.427953515,0,0,0,0,0,0,0,0,2.201388889,0,1.240092593,0,0,2.170138889,0,0,0,0,1.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.66666667,1.851851852,0.427953515,2.201388889,0.144097222,1.209166667,5.5813325,0.290833333,0.201388889,1.545925926,0.290833333,0.201388889,1.545925926,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.11111,0.11111,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.09633,0.56626,9.45555,4.35922,0.48436,2.44966,0.27218,4.43185,1.98218,0.22024,-0.01785,-0.00198,0.06815,0.00757,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.350852404,3.100916686,3.558518613,3.784941827,3.784941827,20.68979086,49.36790048,65.1192504,74.72889087,79.48377838,79.48377838,0.224307135,0.535219151,0.705986473,0.810168818,0.861718647,0.861718647,3.407089287,2.041465019,1.291400737,0.83379881,0.607375595,0.607375595,0.214882485,0.512730999,0.676323238,0.776128183,0.825512057,0.825512057,6.75154531,16.98424291,20.28133333,23.2313996,23.45959458,23.45959458,33.82580122,25.97128157,21.0758509,17.00634036,16.43066217,16.43066217,7.111111111,3.92,2.380165289,3,6,3,2.45,1.1391,0,2.085481947,0.333333333,0,9.563073858,4.445544946,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,4.418,10,11,12,12,6,4,2,0,0,75,2.564949357,2.970414466,3.392829132,3.820455812,4.218588165,3.49839971,3.270044111,2.784239339,0,0,5.534870605,3.365,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.222222222,3,0.333333333,0,3,6,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.04,0,0,0,0,0.111111111,0.044444444,0.0234375,0.030222222,0.030092593,0.04,0,0,0,0,0.27930787,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,0,133.0544855,4.169925001,3.663561646,4.394449155,5.153291594,5.905361848,6.673297968,7.430707083,8.200562797,8.959440144,9.729669736,78.11034197,2.944438979,0,4.077537444,0,5.433722004,0,6.886531643,0,8.379997952,8.639410824,120.0939004,5.718757161,17.70058553,1.966731726,0,0,0,94,8,3.507,38,1.234633511,2.166449137,2.958666532,3.782312058,4.72259859,5.575264779,6.787610533,7.865256659,0,0,94.43903682,111.1583113,102.4154583,107.3888626,114.0098427,74.3429148,32.63329359,7.991604142,0,0,327.3861275,432.3747292,447.5452097,507.2652264,590.8444671,508.5544907,405.1002799,244.4816279,0,0,9.042027763,15.59960057,20.97249264,26.67338378,33.26775782,38.77791975,46.52858368,52.84244372,0,0,2.382529912,3.355214785,3.704020774,4.346417111,5.212510633,4.948853681,4.57011008,3.496994611,0,0,173.2140676,322.309064,464.1200062,603.0726964,754.7526436,927.7201056,1181.368676,1454.424794,0,0,3.173893953,4.72326828,5.588418796,6.801800452,8.672114792,9.00954508,9.108103832,7.865256659,0,0,0.490292779,0.699191032,0.781621332,0.922869701,1.111688981,1.073116906,1.014351197,0.805402282,0,0,268.8050085,132.8104995,11.29096632,82.11242896,-40.56990144,-4.86674546,186.6925796,173.3804009,16.15771178,0.766006416,0.378466515,0.032175564,0.233993584,-0.115610959,-0.013868634,94.32836477,46.60552014,3.962196969,28.81468316,-14.23668585,-1.707825846,0.125544653,0.131518276,3.057812665,1.166372427,350.9174375,0,1,0,664.8026547,25.78376727,8.727655225,782.1086491,27.96620548,9.213451688,1090.582516,33.02396881,10.29325765,2.110422115,2.110422115,623.668647,553.177662,111.3475087,1.127429197,5.601101045,4.968029089,4.201869872,4.443439901,7.963231373,0.792132121,3.755217936,3.769874126,3.77738705,11.89504989,3.796372138,4.371070036,2.646083883,7.427906738,4.514606055,2.005039305,3.988160472,2.07491926,1.732791107,1.271591476,1.718141754,4.99E-13,2.93E-47,3.44E-103,8.03E-181,3.70E-280,0,0,0,0,0,0,0,0,0,0,0.315259028,3.769728571,0.299181019,4.127939628,0.961062659,1.167259603,0.280257261,1.530188432,0.510844119,0.158513821,1.112247709,0.32148526,0.082699695,0.068488127,0.012101013,3.52E-15,2.06E-49,2.42E-105,5.65E-183,2.61E-282,0,0,0,0,0,0,0,0,0,0,1.017427978,3.769738649,0.976899592,4.812217599,1.244061728,1.574726564,0.759790846,2.47879041,0.928602371,0.477113291,1.683262596,0.602325408,0.308293652,0.246277366,0.126101884,3.67E-14,2.15E-48,2.52E-104,5.89E-182,2.72E-281,0,0,0,0,0,0,0,0,0,0,3.544626116,3.76985827,3.553042159,11.10075424,3.518170663,4.087731858,2.500053209,6.976554339,4.12817055,1.871366158,3.80643173,1.940309373,1.592426015,1.173956564,1.53083337,4.45E-13,2.61E-47,3.06E-103,7.15E-181,3.30E-280,0,0,0,0,0,0,0,0,0,0,1.49944495,3.769751397,1.451710045,5.549524496,1.526145433,1.927630529,1.089979825,3.205764363,1.333998624,0.713136992,2.080003149,0.817997969,0.4961818,0.3884523,0.273910142,7.96E-14,4.66E-48,5.48E-104,1.28E-181,5.91E-281,0,0,0,0,0,0,0,0,0,0,4.534944655,3.76994072,4.620992231,15.19794117,4.945221789,5.519156461,3.188128231,9.20158846,6.1058702,2.523394821,4.66745514,2.604277482,2.297176196,1.660319128,2.505748275,7.28E-13,4.27E-47,5.01E-103,1.17E-180,5.40E-280,0,0,0,0,0,0,0,0,0,0,2.027450266,3.133978895,1.982105109,6.067799633,1.731562731,2.304326115,1.522146935,3.962951826,1.752456214,0.93657141,2.666803348,1.16671977,0.772666025,0.596597235,0.501010135,1.46E-13,8.53E-48,1.00E-103,2.34E-181,1.08E-280,0,0,0,0,0,0,0,0,0,0,5.82067991,1.379224787,0.428798298,0.762997316,0.180794139,0.550262161,0.412913493,0.307145907,7.628702995,11.11533289,22.18643977,0.644495974,1.27032156,4.63341997,0.756982164,0.17066108,0.833189588,0.136121841,0.348869054,0.124390932,0.048613373,5.561063214,4.427348126,10.58699079,0.749784382,0.52187336,5.048693385,0.974700008,0.26112591,0.803353947,0.155095396,0.414095341,0.206226152,0.113914545,6.284519304,6.493825568,14.06333542,0.70503092,0.734236038,5.784881323,1.360471187,0.421034908,0.764549977,0.17980459,0.543518918,0.401761232,0.296136106,7.566387418,10.8786072,21.75860855,0.646824965,1.241416256,5.255605949,1.083147384,0.306123886,0.790925968,0.163004876,0.448688989,0.254666672,0.156581472,6.644877219,7.633039638,16.02055642,0.686388953,0.859937133,5.935375438,1.439306783,0.453664712,0.758190138,0.183858329,0.572147888,0.449670752,0.343754749,7.828346933,11.88845922,23.59238491,0.637285206,1.365573389,5.796311733,1.362526877,0.420032466,0.76479883,0.179779662,0.545667976,0.402972355,0.294802094,7.578871076,10.90457516,21.80070746,0.647198245,1.243442425 +UMLRON0036,L,Propylbenzene,CCCC1=CC=CC=C1,7668,"Co optima database values referenced from their api report but sandia values averaged between that and independent api report, independent api report values match UMLs so I think we should use those ","Sandia, UML",[9],C9H12,PubChem,,111,0,0.7455,0.55577025,46.323,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,1895.678915,1643.557617,1174.44399,955.505213,648.773499,289.634857,56.556864,4670.34144,5841.481647,7713.603795,7469.048158,5854.287603,4680.183514,3531.910628,2058.624615,707.6164209,169.463656,175.052008,301.19726,380.97306,336.998616,273.31538,210.805932,166.456036,82.21824,34.11358067,43.47862034,61.18418518,63.16882866,51.46149573,41.10210406,31.74308232,20.37324227,8.011080479,3856.790689,3411.659229,6332.307522,8603.975729,7764.225018,6348.860072,4832.6429,4030.154205,2091.831407,47.52777778,57.66666667,85.58333333,95,79.83333333,65.5,53.5,37.5,16,60.70275442,67.17251842,45.13521226,30.43625217,24.46758312,24.50013367,21.6257833,12.06811904,4.713072,194.59756,243.3950686,183.6572332,138.3157066,121.9643251,120.0047055,117.7303543,85.77602562,58.96803508,7.060985667,7.293833667,7.171363333,7.055056667,7.0208045,7.008086667,7.0268644,6.935668167,6.85152,1.421399194,1.811609181,1.456766314,1.169793123,1.072114494,1.053900104,1.058102744,0.848885095,0.66759004,160.6996121,142.1524679,150.7692267,159.3328839,161.7546879,162.7912839,161.0880967,167.9230919,174.3192839,1.980324074,2.402777778,2.037698413,1.759259259,1.663194444,1.679487179,1.783333333,1.5625,1.333333333,0.056537236,-0.001083464,-0.021760538,-0.011914902,-0.002337638,0.009316995,-0.00738639,-8.34E-04,0.00347394,706.2183858,-4.97E-14,-156.3769283,-45.39975338,-80.71067267,12.6110426,-166.4657624,-30.26650225,50.44417042,1313.243245,2.42E-13,-290.7895757,-84.42278004,-150.0849423,23.45077223,-309.5501935,-56.28185336,93.80308893,0.138343333,2.24E-15,-0.030633167,-0.0088935,-0.015810667,0.002470417,-0.0326095,-0.005929,0.009881667,5.870808328,1.36E-14,-1.299964701,-0.377409107,-0.670949523,0.104835863,-1.383833392,-0.251606071,0.419343452,31.89032402,-1.08E-13,-7.061428889,-2.050092258,-3.644608459,0.569470072,-7.517004947,-1.366728172,2.277880287,4.415509259,0.258101852,-0.026909722,-0.327256944,-1.030092593,0.189380787,-1.172164352,-0.474537037,0.028356481,0.002355718,-4.51E-05,-5.18E-04,-2.21E-04,-4.87E-05,2.39E-04,-2.46E-04,-3.47E-05,2.89E-04,29.42576608,-2.07E-15,-3.723260197,-0.840736174,-1.681472347,0.323360067,-5.548858746,-1.26110426,4.203680868,54.71846854,1.01E-14,-6.923561326,-1.563384816,-3.126769631,0.601301852,-10.31833978,-2.345077223,7.816924078,0.005764306,9.32E-17,-7.29E-04,-1.65E-04,-3.29E-04,6.33E-05,-0.001086983,-2.47E-04,8.23E-04,0.244617014,5.67E-16,-0.030951541,-0.006989058,-0.013978115,0.002688099,-0.04612778,-0.010483586,0.034945288,1.328763501,-4.50E-15,-0.168129259,-0.037964671,-0.075929343,0.014601797,-0.250566832,-0.056947007,0.189823357,0.183979552,0.010754244,-6.41E-04,-0.006060314,-0.021460262,0.004855918,-0.039072145,-0.019772377,0.00236304,-0.019163723,-0.219936344,-0.093664148,-0.020673435,0.101411664,-0.104517172,-0.014747839,0.122890324,-7.04E-17,-0.126530612,-0.028571429,-0.057142857,0.010989011,-0.188571429,-0.042857143,0.142857143,1.84E-16,-0.126530612,-0.028571429,-0.057142857,0.010989011,-0.188571429,-0.042857143,0.142857143,1.62E-14,-0.126530612,-0.028571429,-0.057142857,0.010989011,-0.188571429,-0.042857143,0.142857143,2.32E-15,-0.126530612,-0.028571429,-0.057142857,0.010989011,-0.188571429,-0.042857143,0.142857143,-3.38E-15,-0.126530612,-0.028571429,-0.057142857,0.010989011,-0.188571429,-0.042857143,0.142857143,0.058453473,-0.003482494,-0.032940149,-0.116644823,0.02639379,-0.212372215,-0.107470511,0.012844037,1.11295963,1.158972095,0.980141584,0.927112102,0.844491744,1.156886063,1.025556928,0.834187917,1.15,1.173469388,0.985714286,0.985714286,0.90989011,1.117142857,0.903571429,0.657142857,1.15,1.173469388,0.985714286,0.985714286,0.90989011,1.117142857,0.903571429,0.657142857,1.15,1.173469388,0.985714286,0.985714286,0.90989011,1.117142857,0.903571429,0.657142857,1.15,1.173469388,0.985714286,0.985714286,0.90989011,1.117142857,0.903571429,0.657142857,1.15,1.173469388,0.985714286,0.985714286,0.90989011,1.117142857,0.903571429,0.657142857,1.085190039,0.962890844,0.936478812,1.00078637,0.89041234,1.302228047,1.11231979,0.868152031,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,57.26513058,28.25463308,46.2009397,57.19579725,5.719579725,28.25463308,-0.173333333,0.450610852,0.045061085,-0.797151169,80.75064815,8.075064815,4.391365989,0,11.85,12.1501118,-0.210044168,0.090088222,5.207143774,8.601194161,10,24,21,18,4,3,0,0,0,6,15.304898,3.784364516,3.312688401,2.83232124,2.619181914,2.346140264,1.742618974,1.239038839,0.941428501,1.99069284,1.771563753,1.394274641,1.082250302,1.002126503,0.761949393,0.56588451,0.310513972,3.796666404,3.344032745,2.866363615,2.645815032,2.392041045,1.824240739,1.353628363,1.053336623,1.956282132,1.706284368,1.30894997,1.007167592,0.907101456,0.638963584,0.413706806,0.150156259,3.852871796,3.481937591,3.025869471,2.771820215,2.589553982,2.163417764,1.810352352,1.517793787,1.864580578,1.509374337,1.059237931,0.798620231,0.628239066,0.226572726,0.107555542,0.396843083,3.80583111,3.367146821,2.892024727,2.665925019,2.425626214,1.883475757,1.43557583,1.134811365,1.93532215,1.664191716,1.254445418,0.960278991,0.846765677,0.556404819,0.310901952,0.041902902,3.881770447,3.548754759,3.107887283,2.838078588,2.683638968,2.31466653,2.00573419,1.721464227,1.838264548,1.447043516,0.984138956,0.738564276,0.540146324,0.080971679,0.298059637,0.594311107,3.859363052,3.327500427,2.91562892,2.775160709,2.470270584,1.919815676,1.489213202,1.268619127,1.9107639,1.655585484,1.211380533,0.841987852,0.777206439,0.475473054,0.223638393,0.100960309,0,0,0,5,1,1,3,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.612372436,0.679412342,0.219416097,0.27300174,0.273244345,7.234204519,4.931851653,3.64626437,2.690670698,1.968614081,1.513420006,0.637136847,0.348461713,0.723420452,0.493185165,0.331478579,0.224222558,0.151431852,0.108101429,0.079642106,0.058076952,6.50807169,3.971343774,2.58915195,1.661829883,1.025578078,0.68921783,0.286808989,0.139400107,0.650807169,0.397134377,0.23537745,0.138485824,0.078890621,0.049229845,0.035851124,0.023233351,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,3.0292,45.054,44.38801919,65.39551953,88.77603837,8.877603837,44.38801919,0.155799856,0.015579986,-1.859183073,41.5279113,4.15279113,3.726365763,107,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,4,0,0,5,0,0,0,0,0,0,0,0,1,0,3,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.11191704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.02800985,0,1.137892928,0,0,2.02800985,0,0,0,0,0,0,0,0,2.225138889,0,3.829610733,0,0,10.64955593,0,0,0,0,1.462361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.462361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.389652778,0,0.237999221,0,0,0.389652778,0,0,0,0,0,0,0,0,2.225138889,0,1.233472222,0,0,2.064926304,0,0,0,0,1.462361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.190138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.424047265,0,0.359305556,0,0,0.424047265,0,0,0,0,0,0,0,0,2.225138889,0,1.309537037,0,0,2.190138889,0,0,0,0,1.462361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.16666667,1.816666667,0.424047265,2.225138889,0.134097222,1.233472222,6.28382182,0.266527778,0.225138889,1.749389645,0.266527778,0.225138889,1.749389645,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.1,0.1,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.36978,0.63698,10.92787,4.55808,0.45581,2.94966,0.29497,4.93185,1.98218,0.19822,-0.01785,-0.00178,0.06815,0.00682,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.345437252,3.204986856,3.772055209,3.970175521,3.970175521,23.51685016,56.29049406,76.91968454,90.52932501,95.28421252,95.28421252,0.213713581,0.511549931,0.699021389,0.822701431,0.865912321,0.865912321,3.605093744,2.239525248,1.379975645,0.812907292,0.614786979,0.614786979,0.206076118,0.493268716,0.674040522,0.793300621,0.834967288,0.834967288,6.772325919,17.12993833,21.13574077,23.88501959,24.0846902,24.0846902,37.92632204,28.30072848,21.86929522,17.3948625,16.84298282,16.84298282,8.1,4.760330579,3.111111111,4,6,4,2.56,1.28,0,2.142414564,0.25,0,11.46750113,4.68730728,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,4.917,11,12,13,14,8,6,4,2,0,90,2.63905733,3.020424886,3.425889994,3.842136878,4.261799208,3.626006212,3.49839971,3.270044111,2.784239339,0,5.696883733,3.299305556,0.428571429,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.3,4,0.4,0,4,7,0.75,1,0.444444444,0.1875,0.151111111,0.090277778,0.060408163,0.027777778,0,0,0,0.1,0.04040404,0.020833333,0.025185185,0.018055556,0.020136054,0.027777778,0,0,0,0.252391947,27.56160995,42.5576848,55.12321989,5.512321989,27.56160995,0.162869141,0.016286914,-1.814808216,52.10125507,5.210125507,3.953189038,0,150.3504702,4.321928095,3.761200116,4.48863637,5.241747015,5.993961427,6.758094504,7.518064181,8.285765421,9.048409505,9.817439348,80.91331789,3.044522438,0,4.17438727,0,5.517452896,0,6.955592608,0,8.438366411,8.701346403,134.1095504,5.587897935,19.70454557,1.970454557,0,0,0,133,9,4.076,42,1.236512656,2.16566162,2.945182849,3.752934256,4.767487734,5.70139675,6.658625651,7.775499893,8.599688969,0,92.91185031,106.3617955,98.23942158,106.5508694,131.8079791,138.0204277,86.57532591,36.67440266,8.737834373,0,323.9803594,420.6911052,432.6005465,502.6319918,614.8636585,717.4181332,599.5062014,458.7164725,267.3105341,0,9.050443239,15.57610368,20.83834816,26.46188586,33.50739295,40.18431718,46.28900726,53.27499758,57.77670075,0,2.364973853,3.289913955,3.601334769,4.306348404,5.284995284,6.327195255,5.857758582,5.192529726,3.823532693,0,173.8105839,323.3515289,464.9155743,598.7398684,769.1777534,909.4526376,1109.813217,1355.339557,1590.234292,0,3.059063459,4.534347582,5.320605167,6.498488625,8.262315242,10.50381416,10.68101121,10.36984981,8.599688969,0,0.486961494,0.686538141,0.760893556,0.914382427,1.123512383,1.349201219,1.271076539,1.153193737,0.88060815,0,299.8422422,164.051516,12.10474298,83.62196423,-45.75175899,-4.96214732,216.220278,209.803275,17.0668903,0.781930196,0.427814417,0.031566813,0.218069804,-0.119311681,-0.012940314,114.9787675,62.9078844,4.641735662,32.06603016,-17.54416195,-1.902805884,0.11337201,0.119290386,2.761331203,1.144214144,383.4642065,0,1,0,726.8842238,26.96079049,8.991284665,863.5642905,29.38646441,9.522805011,1209.714033,34.78094353,10.65518283,2.155863452,2.056590322,906.0635104,849.0992892,133.2421099,1.067087821,6.800128814,6.372604653,4.682917228,5.282500282,9.005334831,0.704748575,4.313019043,4.718391434,4.073719855,16.80382595,5.675890491,4.386203333,4.295354568,11.04892899,6.708138006,2.253333605,4.956034934,3.103237048,2.344910266,3.311506518,2.735291752,0.12706343,1.99694085,3.97E-11,1.58E-43,1.25E-97,1.96E-173,6.07E-271,0,0,0,0,0,0,0,0,0.362071409,4.718203773,0.321297953,5.140880753,0.974457577,1.167381582,0.442189248,1.624103257,1.516130279,0.466716066,1.336112737,0.870591671,1.007443431,0.207141069,0.171716765,0.004542459,0.014064618,2.80E-13,1.11E-45,8.81E-100,1.38E-175,4.27E-273,0,0,0,0,0,0,0,0,1.168544053,4.718216744,1.050109271,6.088717852,1.382411918,1.575851612,1.167889273,2.920315765,2.331957044,0.759220074,1.921508578,1.171657439,1.153490169,0.678300196,0.592433308,0.018696975,0.14656416,2.92E-12,1.16E-44,9.18E-99,1.44E-174,4.45E-272,0,0,0,0,0,0,0,0,4.07114486,4.718370983,3.830861083,15.58294502,5.192895999,4.101217038,4.037952865,10.24992547,6.303977553,2.118422304,4.680120039,2.911840832,2.218117702,3.063969527,2.542067865,0.115722777,1.779238345,3.54E-11,1.41E-43,1.11E-97,1.75E-173,5.41E-271,0,0,0,0,0,0,0,0,1.722162239,4.718233171,1.56144243,7.164811825,1.826273413,1.930056125,1.684116276,3.996471068,2.964437087,0.98144745,2.368944012,1.424252817,1.291443359,1.049988168,0.91169533,0.03163657,0.318356941,6.34E-12,2.52E-44,2.00E-98,3.13E-174,9.67E-272,0,0,0,0,0,0,0,0,5.208570274,4.718477331,4.987834001,21.89972696,7.685809543,5.54121987,5.272824386,14.25936922,8.302560158,2.781843474,6.039283815,3.874016161,2.86536231,4.293300112,3.491910207,0.173412805,2.912350554,5.80E-11,2.31E-43,1.83E-97,2.86E-173,8.85E-271,0,0,0,0,0,0,0,0,2.360270699,3.903198195,2.188889187,8.169371273,2.369025778,2.399027317,2.334252143,5.199080202,3.817638826,1.236995723,2.937549482,1.892827422,1.720305088,1.542113335,1.42966056,0.052876773,0.605082658,1.20E-11,4.79E-44,3.79E-98,5.95E-174,1.84E-271,0,0,0,0,0,0,0,0,7.338824502,1.3021147,0.628376278,0.791733167,0.140475821,0.56273327,0.406320533,0.358775434,9.269315479,14.98575247,30.25982617,0.687599751,1.327829237,6.316060999,0.70912196,0.285260366,0.863977835,0.097001225,0.416959952,0.121063333,0.074103684,7.310443325,6.482863817,15.07094769,0.795966753,0.612126968,6.679265393,0.919787576,0.407140703,0.834262281,0.114884502,0.466225371,0.203307865,0.150796945,8.006193671,9.23738909,19.74485384,0.751393421,0.820330182,7.308677453,1.284645654,0.618266188,0.793421984,0.139459719,0.558123876,0.395538583,0.347338117,9.211589296,14.70202185,29.71854993,0.690132976,1.301000576,6.858010555,1.023429983,0.467107496,0.821461472,0.122587782,0.491482014,0.251505795,0.198411375,8.348548034,10.70017358,22.32720601,0.732192208,0.941399184,7.435131557,1.357916974,0.660672533,0.786476722,0.143638358,0.577585588,0.441725458,0.396551605,9.453721064,15.90561699,32.02968043,0.679715084,1.415862651,7.327320093,1.287290407,0.617878745,0.793645126,0.13943048,0.560973763,0.397074103,0.346858202,9.232489245,14.75517359,29.81573543,0.690467689,1.304906068 +UMLRON0037,L,n-butylbenzene,CCCCC1=CC=CC=C1,7705,"Sandia values averaged from independent api report and co-optima database, Co-optima values from referenced API report, currently would go with sandia independent api report ",Sandia,,C10H14,PubChem,,102.2,0,1.3512,1.82574144,41.8813,21.54993,6,6,19,9,10,0,8,0,1,0,0,0,0,0,0,0,1420.241609,1515.247705,1870.360395,1658.497609,907.480608,483.830974,235.062745,72.642528,9.144576,3915.363435,4717.44348,6111.757258,5976.267778,4280.709751,2423.521606,1200.270109,688.4196982,279.7536999,140.860484,144.0277,234.950652,240.465652,247.69812,189.926848,97.6177,42.705792,60.466176,27.40053305,33.3364231,44.2997488,45.31708367,36.60336541,22.60180808,10.40151432,6.68126586,4.001516144,3048.982655,2725.472627,4797.242629,4843.779413,5445.887121,4553.332838,2251.220741,918.7352863,1664.258868,51.80555556,57.5,82.83333333,85.44444444,72.16666667,45.33333333,25.5,12,9,74.74955837,79.74987921,60.33420629,51.82805028,26.69060612,17.9196657,18.08174962,12.107088,1.016064,206.0717598,248.286499,197.1534599,186.758368,125.903228,89.76005948,92.32846995,114.7366164,31.08374443,7.413709684,7.580405263,7.57905329,7.514551625,7.285238824,7.034327704,7.509053846,7.117632,6.718464,1.442133318,1.754548584,1.429024155,1.416158865,1.076569571,0.837104003,0.800116486,1.11354431,0.444612905,160.4727713,143.4459277,154.7497622,151.3681067,160.1731506,168.641957,173.1708263,153.1225477,184.917652,2.726608187,3.026315789,2.672043011,2.670138889,2.12254902,1.679012346,1.961538462,2,1,0.168528027,-0.042146141,-0.028367172,-0.008741932,-0.041348131,0.044779837,-0.019000216,-0.002783298,0.013343039,634.7270885,22.25765768,75.02698904,-295.0559369,-326.9421378,163.2437844,-38.90030583,-181.5609412,264.5673463,1006.329214,-48.16277968,260.3753596,-489.5763419,-556.576131,119.9064647,129.6284813,-334.7194591,415.9597989,1.040601684,0.030202947,-0.22507138,-0.204077363,-0.156364277,0.192322238,-0.264412942,-0.024096532,0.131196465,4.564428638,-0.497961093,1.400022584,-2.093851626,-2.380969477,0.03257875,1.076046054,-1.478459467,1.660379956,25.35940736,-3.194029034,7.906488828,-11.27722702,-12.78841011,-0.638221629,6.60077773,-7.993635461,8.704553011,8.049707602,-0.419590643,0.193751924,-1.721144968,-4.069944598,2.549245922,-1.469682979,-1.498153278,2.41066482,0.008869896,-0.002218218,-9.15E-04,-2.73E-04,-0.001216121,0.001658512,-0.001461555,-4.64E-04,0.00148256,33.40668887,1.171455668,2.420225453,-9.220498028,-9.615945229,6.046066089,-2.992331218,-30.26015687,29.39637181,52.96469549,-2.534883141,8.399205148,-15.29926069,-16.36988621,4.440980176,9.971421637,-55.78657651,46.21775544,0.05476851,0.001589629,-0.007260367,-0.006377418,-0.004598949,0.007123046,-0.020339457,-0.004016089,0.014577385,0.240233086,-0.026208479,0.045162019,-0.065432863,-0.070028514,0.00120662,0.082772773,-0.246409911,0.184486662,1.334705651,-0.168106791,0.255048027,-0.352413344,-0.376129709,-0.023637838,0.507752133,-1.332272577,0.967172557,0.423668821,-0.022083718,0.006250062,-0.05378578,-0.119704253,0.094416516,-0.113052537,-0.249692213,0.267851647,-0.25008387,-0.103165815,-0.030799165,-0.137106621,0.186982177,-0.164777019,-0.052298578,0.167145125,0.0350665,0.072447331,-0.27600754,-0.287844906,0.180983698,-0.089572817,-0.905811318,0.879954668,-0.047859864,0.158581203,-0.288857711,-0.309071657,0.083847932,0.188265439,-1.053278528,0.87261439,0.029024504,-0.132564627,-0.116443146,-0.083970686,0.130057325,-0.371371381,-0.073328427,0.266163624,-0.109096041,0.187992502,-0.272372404,-0.29150237,0.005022707,0.344551929,-1.0257118,0.767948598,-0.12595046,0.191089344,-0.26403825,-0.281807235,-0.017710151,0.380422554,-0.998177071,0.724633597,-0.052124955,0.014752235,-0.126952416,-0.28254204,0.222854529,-0.266841767,-0.589357065,0.632219397,1.174190165,1.402294629,1.133757728,0.943606875,0.38147323,1.909894208,0.236509164,0.034323939,0.927229456,0.932050142,1.232503309,1.203859702,0.707721616,1.13149713,1.716633969,0,1.092116359,0.806532896,1.261357676,1.237316499,0.831686154,0.636855068,2.013403459,0,0.85855147,1.476813839,1.17711286,0.904178478,0.347664246,2.298383305,0.205115947,0,1.200816897,0.80348693,1.273360646,1.213129378,0.863495527,0.46626513,1.98443645,0,1.228826394,0.815751824,1.275304251,1.199325287,0.863519452,0.447768964,1.940195742,0,0.951325826,1.115047514,1.121935162,1.182907417,0.484259596,1.727248596,1.118053033,0,29.77475799,15.012379,22.34046901,29.96920243,3.329911382,15.01238041,0.25,0.032004516,0.003556057,-3.097690426,59.76282271,6.640313634,3.681345396,29.78351758,15.01639158,22.34642173,29.97739081,3.330821201,15.01639299,0.249265579,0.032427878,0.003603098,-3.085863102,59.86613559,6.651792843,3.682899897,37.75389609,18.67745081,28.30824187,37.62089793,4.18009977,18.67745084,-0.398994478,0.351517533,0.039057504,-0.94094612,66.09162066,7.343513407,3.771937774,29.79271168,15.02060324,22.3526714,29.98598541,3.331776157,15.02060465,0.2484948,0.032872148,0.003652461,-3.073616583,59.97530688,6.663922987,3.684539633,46.46745615,22.69258094,35.54314199,46.1066914,5.122965711,22.69258094,-1.082294264,0.541959244,0.060217694,-0.551308028,46.72103981,5.191226645,3.459775135,30.69575604,15.43444511,22.97474487,30.83041596,3.425601773,15.43444602,0.173134186,0.075979026,0.008442114,-2.319568153,76.5261945,8.502910501,3.903869785,29.1563173,14.73768246,21.90829204,29.38594693,3.265105214,14.73768439,0.402380952,0.088882201,0.0098758,-2.178399033,50.39335579,5.599261755,3.527873403,0,11.99629191,15.99794303,-0.377471237,0.075619343,4.690131085,7.638298044,9,19,16,13,3,3,0,0,0,6,12.84807,3.800638842,3.079400515,2.642124718,2.619181914,2.052397252,1.144606548,0.941428501,0.314808877,1.956564168,1.463506838,1.328266837,1.082250302,0.725686902,0.310513972,0.083923071,0.083923071,3.792392589,3.008495899,2.652804417,2.645815032,2.100030255,1.053336623,0.961597489,0.446398944,1.940360815,1.437629716,1.236460403,1.007167592,0.6542582,0.150156259,0.105444253,0.270913902,3.856122469,3.214051998,2.899717702,2.771820215,2.338398745,1.517793787,1.470504807,0.956863298,1.848519894,1.156807274,0.922974928,0.798620231,0.364578065,0.396843083,0.663557632,0.943918427,3.795486737,3.00410267,2.67861982,2.665925019,2.136935049,1.134811365,0.941080482,0.541514558,1.931014422,1.422151651,1.176709552,0.960278991,0.606727413,0.041902902,0.116212225,0.399277246,3.875892516,3.258914637,2.998825043,2.838078588,2.434809244,1.721464227,1.565541148,1.207644823,1.828784699,1.10737162,0.826026098,0.738564276,0.272018241,0.594311107,0.780605216,1.159578218,3.838626469,3.239762448,2.792194237,2.722592367,2.197186917,1.49535744,1.230214688,0.603689754,1.897757119,1.256778859,1.082890101,0.889742168,0.539773609,0.067369896,0.43646938,0.52173913,0,0,0,5,1,1,0,0,0,0,0,0,0.083333333,0.142258898,0,0,0,0.027777778,0.039118008,0.49279928,0,0,0,0.234708048,0,0,0,0.90104757,0.937443702,1.069035594,0.339058892,0.292312191,0.274323162,6.690234444,4.325698503,3.534145948,2.712778743,1.73736354,1.373773448,0.686886724,0.11785113,0.743359383,0.480633167,0.321285995,0.226064895,0.144780295,0.098126675,0.08586084,0.058925565,5.717649367,2.933739641,2.017176675,1.256685203,0.674352013,0.438258185,0.185561108,0.022680461,0.635294374,0.325971071,0.183379698,0.104723767,0.056196001,0.031304156,0.023195138,0.01134023,11.42393812,18.76984705,17.97647059,18.2,12.47301198,143.5238802,0.601259901,0.987886687,0.946130031,0.957894737,0.656474315,7.553888434,1.72322,36.634,36.40309101,49.22239066,72.80618203,8.089575781,36.40309101,0.096723867,0.010747096,-2.102305585,57.28426909,6.364918788,3.643223445,77,0,0,1,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,4,0,0,0,0,0,0,0,0,2,0,0,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.969166667,10.13787037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.922361111,0,0,0,0,1.922361111,0,0,0,0,0,0,0,0,3.726296296,0,0,0,0,7.960648148,0,0,0,0,2.177222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.969166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.969166667,0.917222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.459097222,0,0,0,0,0.459097222,0,0,0,0,0,0,0,0,1.671296296,0,0,0,0,1.953703704,0,0,0,0,0.917222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.969166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.969166667,2.02662037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.502083333,0,0,0,0,0.502083333,0,0,0,0,0,0,0,0,2.055,0,0,0,0,2.02662037,0,0,0,0,1.26,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.969166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.83333333,2.092592593,0.535972222,4.969166667,0.210555556,0.917222222,4.425438241,0.749444444,1.469166667,3.154814815,0.749444444,1.469166667,3.154814815,4.33333,0.48148,0,0.01852,0.52982,0.78519,0.43333,0.47467,0.78519,0.09649,0.05516,-0.04133,0,0.61321,0.10108,0,0.23077,0.23077,0,11.5,1.27778,5,0.55556,6.5,0.72222,1.5,0.16667,0.5,0.05556,4.33312,0.48146,9.88205,5.54893,0.61655,1.80047,0.20005,4.32569,2.52521,0.28058,0.08831,0.00981,0.17431,0.01937,0.315789474,9.01,0,1,1,1,0,0,0.25,1.236386411,2.589518303,3.115834092,3.536886724,3.642149882,3.431623566,23.49134181,49.20084775,59.20084775,67.20084775,69.20084775,65.20084775,0.291056381,0.60959569,0.733495118,0.83261466,0.857394546,0.807834775,3.011541103,1.658409211,1.132093421,0.71104079,0.605777632,0.816303948,0.277252017,0.580683487,0.698706552,0.793125005,0.816729618,0.769520392,10.3725649,20.99285349,23.83742981,26.57591929,25.52493509,24.15569035,31.88355406,23.55622644,19.77549534,16.41056479,17.35706059,19.01342823,7.111111111,3.239669421,2,1,7,0,2.23,1.0569,0.166666667,2.746356192,1.590541458,0,3.301927249,5.656854249,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.34,0.338,0.714,0.686,4.256,11,12,12,14,8,2,0,0,0,77,2.564949357,3.068052935,3.504054767,3.899444223,4.385925275,3.876395828,2.784239339,0,0,0,5.579258017,3.426948052,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,3,0.333333333,0,3,6,1,2,0.888888889,0.25,0.342222222,0.118055556,0,0,0,0,0,0.222222222,0.080808081,0.027777778,0.085555556,0.059027778,0,0,0,0,0,0.475391414,20.69044905,31.20338714,41.3808981,4.597877567,20.69044905,0.05682378,0.006313753,-2.581020349,58.78058292,6.53117588,3.66643042,9.23,124.5487276,4.169925001,3.713572067,4.465908119,5.252273428,6.02827852,6.816735881,7.598399329,8.386400901,9.169830829,9.957265258,79.38866433,2.944438979,0,4.143134726,0,5.556828062,0,7.055312843,0,8.590257762,8.836955157,122.0731649,6.424903418,17.54959443,1.949954937,2.76434683,2.76434683,0,90,9,1.659,40,1.232858092,2.141459454,3.028065217,3.784129372,4.528924712,5.455902127,6.48054986,6.807529447,0,0,107.7253835,140.6203951,164.9570188,108.5779817,89.72169624,106.8374791,78.46058745,6.9168856,0,0,324.5091875,449.5243586,579.7866957,496.7068332,423.4057257,521.5415296,743.5563632,211.6035055,0,0,9.411534328,16.29986653,22.8100189,27.73975314,32.00709172,41.3005216,46.12616906,45.73614152,0,0,2.250805896,3.21413555,4.357898979,4.184329393,3.873882184,4.42761881,7.216379423,3.026715442,0,0,175.5281077,327.5263388,455.9731467,603.120338,760.5709107,945.2071519,992.3183052,1258.832361,0,0,3.873583197,5.945767928,8.285077464,8.28969586,7.889117057,11.08944056,12.96109972,6.807529447,0,0,0.493409124,0.715480464,0.971354642,0.938866407,0.88223151,1.075696352,1.555331967,0.697091015,0,0,273.8865019,168.4787027,13.52329985,86.19629488,-53.02283917,-9.960285865,187.690207,221.5015419,23.48358571,0.760620903,0.467888786,0.037556084,0.239379097,-0.147251798,-0.027661099,98.62181761,60.66628248,4.86950763,31.03780293,-19.09261222,-3.586527591,0.122193495,0.56679044,1.310401841,11.4766408,339.834324,20.24847277,0.943767175,0.056232825,742.8931548,27.25606638,9.056814073,840.6127648,28.99332276,9.437681718,1240.550271,35.22144617,10.74495966,1.89933118,1.832359198,549.1900111,474.3380327,108.4932437,1.157803029,5.061974299,4.372051352,3.95984945,4.340761948,7.518215746,0.732003698,3.115761959,2.377791108,5.502966898,7.135648652,2.349183696,6.44566867,5.267486123,6.24336785,2.759535787,4.081149664,3.801878104,0.177234753,1.453568525,1.628516957,8.31E-11,1.38E-42,4.39E-96,2.71E-171,3.21E-268,0,0,0,0,0,0,0,0,0,0,0,0.261598236,2.54530734,0.50505506,2.726779981,0.357352869,2.167498165,1.987574645,0.599228648,0.118697366,1.371134504,0.449273595,0.014870049,0.032233267,0.011469778,5.85E-13,9.69E-45,3.09E-98,1.91E-173,2.26E-270,0,0,0,0,0,0,0,0,0,0,0,0.844192,2.233682337,1.242908144,3.102368406,0.761953864,1.956113199,2.11906107,1.395177784,0.457407727,1.257034709,0.736046758,0.048000435,0.163194823,0.119523931,6.10E-12,1.01E-43,3.22E-97,1.99E-172,2.36E-269,0,0,0,0,0,0,0,0,0,0,0,2.941033175,2.544726291,5.926375845,7.094836017,2.226548347,6.493151573,5.320602095,6.334857265,2.52699152,4.134323728,4.419343754,0.167290759,1.310248705,1.45097929,7.40E-11,1.23E-42,3.91E-96,2.41E-171,2.86E-268,0,0,0,0,0,0,0,0,0,0,0,1.244125009,2.115266136,1.623001463,3.453313176,1.040285548,2.168770269,2.391958475,1.904571174,0.74940718,1.400285754,0.806702919,0.070746883,0.300354695,0.259621949,1.32E-11,2.19E-43,7.00E-97,4.31E-172,5.12E-269,0,0,0,0,0,0,0,0,0,0,0,3.762708961,2.483563954,7.332547814,8.922108901,2.80404607,8.371267475,6.354569662,8.277214339,3.701014677,5.246126024,5.490289074,0.214057592,2.048149328,2.375038931,1.21E-10,2.01E-42,6.40E-96,3.95E-171,4.69E-268,0,0,0,0,0,0,0,0,0,0,0,1.696351744,2.639058853,3.763262353,5.081392872,1.190744676,4.748535825,3.944639014,3.730700631,1.102371044,3.023148369,3.039265164,0.096468896,0.473559224,0.443301402,2.26E-11,3.74E-43,1.20E-96,7.36E-172,8.75E-269,0,0,0,0,0,0,0,0,0,0,0,5.480206837,1.449226293,0.290732513,0.759014004,0.200719258,0.542667716,0.416198797,0.352097473,7.220165643,9.956671348,19.48585201,0.638521007,1.310963987,3.784055309,0.760047697,0.164586463,0.803632377,0.16141385,0.263054274,0.114256851,0.096778985,4.708689469,3.623960362,8.806010789,0.705448565,0.47409011,4.250978253,1.025981332,0.199360064,0.776247284,0.187348694,0.327465905,0.208382575,0.167438681,5.476319649,5.413439329,11.75925281,0.664370926,0.703287161,5.428733378,1.404548368,0.291259038,0.761976602,0.197142302,0.532943964,0.390717797,0.355763519,7.124540783,9.615173673,18.96054092,0.642964903,1.27942528,4.543949753,1.160128703,0.217107643,0.767405327,0.195928431,0.373270635,0.266629546,0.198863842,5.9211861,6.509965566,13.57564905,0.65110799,0.838764023,5.670308924,1.505948179,0.305974451,0.7578366,0.201269924,0.58095377,0.449435647,0.389290775,7.482231554,10.73494273,20.82994868,0.6367549,1.419680193,5.423041036,1.420335294,0.287916419,0.760456936,0.199169399,0.531566993,0.399677169,0.346644093,7.13129275,9.672856994,19.0218365,0.640685404,1.277888256 +UMLRON0038,L,1-methoxy-4-methyl-benzene,CC1=CC=C(C=C1)OC,7731,Co optima database valuese measured by NREL,Sandia,,C8H10O,PubChem,,103.5,0,1.626,2.643876,49.2166,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2005.6539,1915.914515,1263.172182,697.287531,421.79189,269.399257,84.835296,4670.34144,5841.481647,7855.078337,8077.010367,6523.510579,4249.12541,2367.4049,1695.218043,1061.424631,169.463656,175.052008,300.821808,362.062604,340.19196,312.780396,166.87892,105.590692,123.32736,34.11358067,43.47862034,61.52167806,65.85463273,56.81294697,40.41907011,22.04859796,15.70279472,12.01662072,3856.790689,3411.659229,6369.569539,7964.771286,7509.864184,7511.022367,4003.826014,2397.690441,3137.747111,48.05555556,58.33333333,86.33333333,99.44444444,93,69.58333333,34,25,24,60.70275442,67.17251842,47.75366429,37.56695127,26.31608712,15.49527847,17.57466208,17.95995047,4.713072,194.59756,243.3950686,187.0256747,158.3727523,135.9064704,94.42500911,98.64187085,113.0145362,58.96803508,7.060985667,7.293833667,7.162424,7.099266745,7.0873325,6.950675467,6.953288333,7.039379467,6.85152,1.421399194,1.811609181,1.464801859,1.291267308,1.183603062,0.898201558,0.918691582,1.046852981,0.66759004,160.6996121,142.1524679,151.6564176,156.171986,156.4555038,166.9116082,166.8260839,159.8460294,174.3192839,2.002314815,2.430555556,2.055555556,1.949891068,1.9375,1.546296296,1.416666667,1.666666667,1.333333333,0.050013515,-0.002270437,-0.008026888,-0.00814019,-0.027731218,0.009794285,0.010634473,-0.004264409,1.17E-04,706.2183858,-7.82E-14,15.13325112,-17.65545965,-484.264036,-2.522208521,40.35533633,-168.9879709,75.66625563,1313.243245,2.42E-13,28.14092668,-32.83108113,-900.5096538,-4.690154447,75.04247115,-314.2403479,140.7046334,0.138343333,2.23E-15,0.0029645,-0.003458583,-0.094864,-4.94E-04,0.007905333,-0.033103583,0.0148225,5.870808328,1.35E-14,0.125803036,-0.146770208,-4.025697139,-0.020967173,0.335474762,-1.404800564,0.629015178,31.89032402,-1.08E-13,0.683364086,-0.7972581,-21.86765075,-0.113894014,1.822304229,-7.630898961,3.41682043,4.49537037,-0.49537037,0.447916667,0.704282407,-3.550925926,-0.977430556,0.768518519,-0.316550926,0.086805556,0.002083896,-9.46E-05,-1.91E-04,-1.60E-04,-5.78E-04,2.18E-04,4.43E-04,-2.84E-04,6.49E-06,29.42576608,-3.26E-15,0.360315503,-0.346185483,-10.08883408,-0.056049078,1.681472347,-11.26586473,4.203680868,54.71846854,1.01E-14,0.670022064,-0.643746689,-18.76061779,-0.104225654,3.126769631,-20.94935653,7.816924078,0.005764306,9.31E-17,7.06E-05,-6.78E-05,-0.001976333,-1.10E-05,3.29E-04,-0.002206906,8.23E-04,0.244617014,5.62E-16,0.00299531,-0.002877847,-0.08386869,-4.66E-04,0.013978115,-0.093653371,0.034945288,1.328763501,-4.51E-15,0.016270573,-0.015632512,-0.455576057,-0.002530978,0.075929343,-0.508726597,0.189823357,0.187307099,-0.020640432,0.010664683,0.013809459,-0.073977623,-0.021720679,0.032021605,-0.021103395,0.004822531,-0.04539647,-0.091711069,-0.076592854,-0.277237249,0.104444141,0.212631992,-0.136424205,0.003115833,-1.11E-16,0.012244898,-0.011764706,-0.342857143,-0.001904762,0.057142857,-0.382857143,0.142857143,1.84E-16,0.012244898,-0.011764706,-0.342857143,-0.001904762,0.057142857,-0.382857143,0.142857143,1.62E-14,0.012244898,-0.011764706,-0.342857143,-0.001904762,0.057142857,-0.382857143,0.142857143,2.30E-15,0.012244898,-0.011764706,-0.342857143,-0.001904762,0.057142857,-0.382857143,0.142857143,-3.40E-15,0.012244898,-0.011764706,-0.342857143,-0.001904762,0.057142857,-0.382857143,0.142857143,-0.110195675,0.056936884,0.073726298,-0.394953656,-0.115962925,0.170957775,-0.112667353,0.025746653,1.139555048,1.019166524,1.073945316,1.461837621,0.978799807,0.62488832,0.78889843,0.557193361,1.15,1.032653061,1.005042017,1.314285714,0.876190476,0.821428571,1.314285714,0.657142857,1.15,1.032653061,1.005042017,1.314285714,0.876190476,0.821428571,1.314285714,0.657142857,1.15,1.032653061,1.005042017,1.314285714,0.876190476,0.821428571,1.314285714,0.657142857,1.15,1.032653061,1.005042017,1.314285714,0.876190476,0.821428571,1.314285714,0.657142857,1.15,1.032653061,1.005042017,1.314285714,0.876190476,0.821428571,1.314285714,0.657142857,1.279093718,0.896719141,0.925183256,1.548532441,1.023274974,0.444129763,0.93800206,0.852729145,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,47.90330554,23.79609721,35.21145022,47.81663887,4.781663887,23.79609721,-0.144444444,4.44E-16,4.44E-17,-35.35050621,79.44653361,7.944653361,4.375084262,0,11.89,12.11015511,-0.156964492,0.065318248,5.499062742,8.366422458,10,24,21,18,4,3,0,0,0,6,15.304898,3.819612023,3.220958077,2.868110111,2.619181914,2.358697108,1.692954427,1.469983674,0.941428501,2.007143858,1.68895318,1.495098636,1.082250302,0.998265407,0.795641239,0.564763347,0.310513972,3.83060556,3.249474872,2.913334396,2.645815032,2.400317283,1.781060768,1.562752625,1.053336623,1.975512742,1.616884266,1.410559618,1.007167592,0.901611951,0.661051036,0.436582117,0.150156259,3.881168252,3.381837113,3.108430974,2.771820215,2.585426489,2.146465415,1.93615817,1.517793787,1.891770834,1.409394393,1.146412189,0.798620231,0.622886063,0.214487985,0.003797392,0.396843083,3.838812445,3.27089294,2.946492122,2.665925019,2.431080677,1.844946852,1.629330305,1.134811365,1.956281337,1.571234051,1.355301317,0.960278991,0.840420913,0.57113121,0.350637418,0.041902902,3.90737822,3.449579908,3.200418815,2.838078588,2.677168039,2.309455932,2.097347768,1.721464227,1.867974208,1.34734449,1.059712184,0.738564276,0.538152491,0.057695502,0.152954976,0.594311107,3.856927041,3.251018072,2.995046797,2.765994816,2.481928701,1.889840822,1.681250695,1.261914887,1.939880605,1.565694996,1.282703987,0.850296122,0.77397203,0.493991063,0.265924794,0.095113692,0,0,0,4,2,2,2,0,0,0,0,0,0.083333333,0.11785113,0,0,0,0.027777778,0.03928371,0.40824829,0,0,0,0.23570226,0,0,0,0.98559856,1.114807748,1.040440115,0.507867787,0.486815711,0.389442649,7.397341225,4.863703305,3.703247927,3.121027034,2.047980757,1.471404521,0.902368927,0.402368927,0.739734123,0.486370331,0.308603994,0.222930502,0.14628434,0.091962783,0.075197411,0.067061488,6.723614639,3.942687549,2.523603362,1.839467948,1.010667982,0.621785024,0.38131685,0.161900753,0.672361464,0.394268755,0.21030028,0.131390568,0.07219057,0.038861564,0.031776404,0.026983459,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.8114,45.198,42.38504202,55.88860613,84.77008404,8.477008404,42.38504202,2.22E-16,2.22E-17,-36.04365339,48.66129513,4.866129513,3.884883953,100,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,4,0,0,4,0,0,0,0,0,0,0,0,2,0,2,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.68462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.523888889,0,1.290555556,0,0,1.523888889,0,0,0,0,0,0,0,0,4.363000756,0,2.285702948,0,0,8.828703704,0,0,0,0,2.855925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.427962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.285972222,0,0,0.380972222,0,0,0,0,0,0,0,0,2.181500378,0,1.142851474,0,0,2.207175926,0,0,0,0,1.427962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.207175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.359305556,0,0,0.380972222,0,0,0,0,0,0,0,0,2.181500378,0,1.142851474,0,0,2.207175926,0,0,0,0,1.427962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.33333333,1.833333333,0.380972222,2.207175926,0.142777778,1.142851474,6.19749274,0.357148526,0.207175926,2.383408919,0.357148526,0.207175926,2.383408919,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.58952,0.65895,11.43218,4.84266,0.48427,2.89931,0.28993,4.86369,1.96438,0.19644,0.05031,0.00503,0.13631,0.01363,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.284159128,2.688721876,2.855388542,3.022055209,2.855388542,23.51685016,54.81981907,64.52932501,68.52932501,72.52932501,68.52932501,0.213713581,0.498184909,0.586421781,0.622772496,0.659123212,0.622772496,3.605093744,2.300803373,1.896240625,1.729573959,1.562907292,1.729573959,0.206076118,0.480381319,0.565464877,0.60051653,0.635568183,0.60051653,6.772325919,16.88939319,17.29712166,19.29712166,19.4650925,17.4650925,37.92632204,28.0806892,27.54135417,24.37142917,23.84310834,27.01303334,8.1,4,2.285714286,2,6,2,2.56,1.28,0.142857143,3.888322594,1.264911064,0,6.580104012,7.559526299,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.894,12,14,14,16,12,6,0,0,0,94,2.63905733,3.113515309,3.590439381,3.986666548,4.466626252,4.1763085,3.640870235,0,0,0,5.7712464,3.403590426,0.428571429,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,0,4,7,0.75,2,0.888888889,0.25,0.382222222,0.180555556,0.040816327,0,0,0,0,0.2,0.074074074,0.022727273,0.063703704,0.060185185,0.020408163,0,0,0,0,0.441098399,26.03949385,39.44261809,52.0789877,5.20789877,26.03949385,1.11E-16,1.11E-17,-36.73680057,53.5839518,5.35839518,3.981249616,0,150.3504702,4.321928095,3.80666249,4.574710979,5.361292166,6.150602768,6.944087208,7.737616283,8.532475815,9.326967184,10.12202049,82.55643538,3.044522438,0,4.234106505,0,5.65248918,0,7.158513997,0,8.703008637,8.947285869,134.1095504,5.587897935,19.56874261,1.956874261,0,0,0,125,11,3.794,44,1.235929323,2.155875194,2.975641686,3.803836732,4.566033795,5.594309301,6.664643899,7.101571633,7.770062243,0,92.76161773,113.0020016,120.975645,110.0616251,77.59777087,107.0996996,124.5612713,34.88035524,7.894880523,0,323.5789178,430.315747,497.9720754,546.4760998,455.6354473,575.2974203,765.3068138,429.4015325,241.522629,0,9.045833162,15.49630435,21.18728354,27.0302283,31.81241711,38.94550368,46.93517949,48.70731116,52.20288346,0,2.362509317,3.318542686,4.006793867,4.685587632,4.265713631,5.27772955,7.045334901,4.825987878,3.454669945,0,173.7497847,323.0910679,460.1962355,589.9496882,756.4085721,930.0175256,1063.968971,1233.898383,1436.821666,0,3.091288087,4.586447867,5.971488447,7.554762251,7.230356102,8.027118635,11.20708468,9.595904344,7.770062243,0,0.486472119,0.691026444,0.84119524,0.993469427,0.919819599,1.135162869,1.511542492,1.070421116,0.795654374,0,319.5529872,163.6354549,11.3677643,95.28941392,-48.79543369,-4.907043392,224.2635733,212.4308886,16.27480769,0.770299724,0.394452097,0.027402609,0.229700276,-0.117624027,-0.011828693,132.5641285,67.88292504,4.715830638,39.53008928,-20.24241488,-2.035649663,0.121147959,0.119640932,3.04720661,1.147576518,414.8424012,0,1,0,729.0594248,27.00110044,9.00024454,865.5271791,29.41984329,9.530014688,1258.155968,35.47049433,10.79555135,2.113369874,2.00345672,775.0858015,710.1285047,130.7156286,1.091472594,5.929557237,5.432621274,4.414610774,5.14982236,8.719547178,0.69317436,4.231360714,4.769035699,4.031030525,10.73286412,7.303408908,6.465956902,5.937996307,8.930645953,6.373713909,5.21506595,2.504294461,3.752799098,3.841630156,3.10071201,2.006713434,0.442036949,3.86E-04,3.52E-27,6.24E-72,2.13E-138,1.40E-226,0,0,0,0,0,0,0,0,0,0.355218392,4.768829469,0.307969799,5.980646177,1.448965751,1.919301943,0.479116068,2.022312659,1.009859546,0.359875331,0.070195457,0.303867386,0.321941761,0.022184003,0.167756177,0.003113302,2.72E-06,2.48E-29,4.39E-74,1.50E-140,9.87E-229,0,0,0,0,0,0,0,0,0,1.146421676,4.768843705,1.013505975,6.588798835,2.059372658,2.654626464,1.431845705,3.112824574,1.796372003,1.143719377,0.318751029,0.734297423,1.010599468,0.228253569,0.541967916,0.032443011,2.83E-05,2.59E-28,4.58E-73,1.56E-139,1.03E-227,0,0,0,0,0,0,0,0,0,3.994066058,4.769013218,3.783855461,10.31391688,6.738188528,6.119427258,5.546658584,8.39464958,5.936253418,4.844532794,2.26744179,3.444877806,3.615620149,2.76284262,1.893723899,0.393846964,3.44E-04,3.14E-27,5.56E-72,1.90E-138,1.25E-226,0,0,0,0,0,0,0,0,0,1.689557927,4.76886175,1.513992834,7.113725146,2.651980601,3.216633583,2.13383055,3.956330449,2.427847973,1.743326858,0.563100838,1.111002881,1.492185395,0.495110495,0.799196569,0.070470555,6.15E-05,5.62E-28,9.94E-73,3.39E-139,2.23E-227,0,0,0,0,0,0,0,0,0,5.109956015,4.769130128,4.968067684,12.42939411,9.63098911,7.82642106,7.451832134,11.04358534,8.117295765,6.670212208,3.480987738,5.002779655,4.690407687,4.521327431,2.425528222,0.644669347,5.63E-04,5.14E-27,9.09E-72,3.10E-138,2.04E-226,0,0,0,0,0,0,0,0,0,2.351936423,4.063910293,2.051071843,7.471117297,3.819363791,4.313713073,3.193763487,5.184129208,3.400638457,2.519395191,0.846704007,1.682555816,1.714018635,0.923483806,1.191548891,0.131515125,1.15E-04,1.05E-27,1.86E-72,6.33E-139,4.17E-227,0,0,0,0,0,0,0,0,0,7.243996809,1.328376478,0.573011576,0.792093162,0.14525102,0.586457691,0.405966166,0.375935773,9.145384863,14.53482409,29.19415895,0.688139742,1.368359629,5.049650915,0.73281729,0.245119385,0.837756538,0.121577211,0.286163529,0.123552658,0.069534908,6.02758759,5.11786655,12.05251144,0.756634808,0.479251095,5.828642935,0.944348538,0.361972385,0.816912748,0.132355056,0.380530556,0.20517268,0.151318422,7.134963857,7.955906306,17.08326406,0.725369123,0.737021658,7.179290805,1.310826002,0.563389403,0.792984578,0.144786558,0.576073108,0.395310053,0.363577973,9.05350621,14.1940429,28.5494947,0.689476868,1.334961134,6.212140915,1.048435134,0.41928886,0.808886743,0.136517393,0.431935113,0.252892358,0.202630106,7.679864909,9.557305448,19.96800994,0.713330115,0.887457577,7.450710944,1.384441226,0.603737927,0.789363036,0.146674155,0.62025587,0.44095643,0.416736848,9.438890097,15.64918785,31.31567777,0.684044554,1.477949148,7.175032745,1.313403603,0.562642729,0.792726777,0.145110168,0.575284757,0.396866256,0.362234173,9.051079077,14.19967085,28.55293401,0.689090165,1.334385187 +UMLRON0039,L,p-diethylbenzene,CCC1=CC=C(C=C1)CC,7734,UML source [1] more reliable than sandia independent api soure so use UML data,"Sandia, UML",[1],C10H14,PubChem,,100.4,0,0.0597,0.00356409,29.6417,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1500.364299,1247.39409,1088.949425,546.699218,275.495641,84.835296,9.144576,3346.887898,3979.09551,4674.696811,4282.804084,3581.172724,2742.121004,1881.72051,1061.424631,279.7536999,152.568096,145.6753,259.36554,290.575488,213.496796,191.254088,145.901476,123.32736,60.466176,23.35516286,28.53615172,35.91568508,33.26380117,26.60754845,22.19106228,18.37047215,12.01662072,4.001516144,3350.680532,2804.677982,5510.452524,6473.488352,4465.455747,4038.02074,3507.196353,3137.747111,1664.258868,90.77777778,54.5,97.58333333,97.83333333,97.25,77,31,24,9,69.4856748,68.35965826,44.12836174,32.82616026,40.33146019,22.77913408,13.11884005,4.713072,1.016064,167.3443949,209.4260795,137.4910827,112.7053706,132.6360268,114.2550418,89.60573856,58.96803508,31.08374443,7.6284048,7.667121053,7.628398235,7.646723368,7.907288741,7.968920333,6.947689333,6.85152,6.718464,1.167758143,1.501902722,1.056343679,0.875363189,0.985464757,0.924627595,0.874784388,0.66759004,0.444612905,167.5340266,147.6146306,162.0721331,170.3549566,165.3872499,168.2508642,167.0093502,174.3192839,184.917652,4.538888889,2.868421053,2.870098039,2.574561404,3.601851852,3.208333333,1.476190476,1.333333333,1,0.264974899,-0.162669775,0.060631094,-0.022454392,0.034122883,-0.056470629,0.004961017,0.00415113,0.005241222,715.056216,-13.739645,42.068427,63.328746,-186.406063,-539.106382,-28.866791,97.8336,207.36,931.2646053,-148.2416011,-210.4695091,243.6829002,-173.253281,-347.4233429,-134.0927589,40.28781217,263.877478,1.9334688,0.00145024,0.75963024,-0.59656992,-0.69045088,-1.15689376,0.22982176,0.27724608,0.20903184,4.097118945,-1.072153629,-1.377869305,1.080326084,-0.655980325,-0.09763506,-0.70258381,-0.112758311,0.890094883,23.01673804,-6.548761719,-7.89227958,5.554007487,-3.673159368,1.538504135,-3.884177916,-1.005980191,4.403478133,37.42222222,-0.978888889,10.79888889,-8.224444444,-8.753333333,-22.30666667,3.723333333,3.42,3.61,0.013248745,-0.008561567,0.001783267,-5.91E-04,0.00126381,-0.002352943,2.36E-04,2.31E-04,5.82E-04,35.7528108,-0.723139211,1.237306676,1.666545947,-6.903928259,-22.46276592,-1.374609095,5.4352,23.04,46.56323026,-7.80218953,-6.190279679,6.4127079,-6.416788185,-14.47597262,-6.385369473,2.238211787,29.31971978,0.09667344,7.63E-05,0.022342066,-0.015699208,-0.025572255,-0.048203907,0.010943893,0.01540256,0.02322576,0.204855947,-0.056429138,-0.040525568,0.028429634,-0.024295568,-0.004068128,-0.033456372,-0.006264351,0.098899431,1.150836902,-0.344671669,-0.23212587,0.146158092,-0.13604294,0.064104339,-0.184960853,-0.055887788,0.489275348,1.871111111,-0.051520468,0.317614379,-0.216432749,-0.324197531,-0.929444444,0.177301587,0.19,0.401111111,-0.646217218,0.134598974,-0.044600833,0.09539096,-0.177597418,0.017831042,0.017406807,0.043955712,-0.02022608,0.034607256,0.046613005,-0.193101692,-0.628279719,-0.038447581,0.152021614,0.644424857,-0.167561174,-0.132943519,0.137720426,-0.137808055,-0.310888496,-0.137133301,0.048068224,0.629675382,7.90E-04,0.231108626,-0.162394226,-0.264522032,-0.498626165,0.113204758,0.159325664,0.240249649,-0.275457653,-0.197824707,0.13877866,-0.118598302,-0.019858479,-0.163316576,-0.030579296,0.482775496,-0.299496539,-0.201701796,0.127001569,-0.11821218,0.055702367,-0.160718563,-0.048562736,0.425147427,-0.027534692,0.169746402,-0.115670709,-0.173264714,-0.496733967,0.09475738,0.101543943,0.214370546,1.62851345,0.930703566,1.343289105,1.493119625,1.344476689,0.106082358,0.086570154,1.86E-04,1.04922138,0.951186959,0.947623774,1.282683589,1.722799611,0.765925185,0.536147629,0,1.505949528,1.1618184,0.728478123,1.078795323,1.180434936,1.093602754,0.765521928,0,0.713221749,0.738250888,1.368233095,1.724732636,2.121799173,0.055489215,0.038842451,0,1.749688453,1.254801494,0.698421089,1.067822661,0.890994962,1.11123739,0.777866173,0,1.787392882,1.264308948,0.715586417,1.090687249,0.846220953,1.074490731,0.752143512,0,0.585659145,0.514771378,1.152390143,1.999538137,2.528021081,0.066487106,0.084619952,0,33.21907411,16.85953706,25.91268375,33.59407411,4.199259264,16.85953723,0.5,0.105013682,0.01312671,-1.802931704,39.43368775,4.929210969,2.939696376,33.23136939,16.86495027,25.92086107,33.60526776,4.200658469,16.86495045,0.498531158,0.104670946,0.013083868,-1.805546954,39.49610725,4.937013407,2.940961693,44.21508734,21.70854919,33.80665072,43.61659562,5.452074452,21.70854919,-0.797988956,0.118410441,0.014801305,-1.706878702,35.44462892,4.430578614,2.854377384,33.2442738,16.8706317,25.92944552,33.617016,4.202127,16.87063187,0.4969896,0.10431144,0.01303893,-1.808299388,39.56200611,4.945250764,2.942295373,55.97724492,26.9063282,42.92426778,54.35380353,6.794225441,26.9063282,-2.164588529,0.227362217,0.028420277,-1.184968692,26.81262353,3.351577941,2.631098243,34.50814645,17.42720741,26.77993808,34.76784773,4.345980966,17.42720751,0.346268372,0.070175968,0.008771996,-2.125399491,48.71049173,6.088811467,3.108715554,31.97576047,16.27344185,25.64360397,32.56266523,4.070333154,16.27344225,1.173809524,0.28245768,0.03530721,-1.011381236,28.05713832,3.50714229,2.667394468,0,11.89,15.99591765,-0.315928884,0.261460029,4.036120259,6.623571333,7,19,18,18,6,1,1,0,0,1,15.992484,3.537611022,3.132679512,2.842699184,2.108529945,1.882238485,1.332142787,0.972610279,0.083923071,1.79909224,1.643438346,1.290118796,0.886552498,0.713561051,0.392074982,0.083923071,0.083923071,3.443365196,3.123112474,2.789717709,2.092902871,1.825098464,1.401367708,0.604413297,0.270913902,1.775990975,1.590373658,1.267563122,0.830754764,0.636238179,0.394889304,0.270913902,0.270913902,3.625201307,3.330431606,3.028744274,2.441163083,2.214926603,1.85762264,1.226893445,0.943918427,1.563360397,1.322630809,0.971000445,0.406637391,0.19624047,0.115804251,0.943918427,0.943918427,3.435547041,3.136422988,2.786686652,2.107607415,1.855242905,1.461382187,0.459593576,0.399277246,1.773684874,1.553926179,1.253921883,0.788644534,0.587262223,0.328177801,0.399277246,0.399277246,3.648612275,3.400877003,3.083619582,2.548212571,2.331326302,2.029021227,1.208936353,1.207644823,1.525444925,1.253510269,0.914703197,0.30473534,0.071088462,0.275873142,1.207644823,1.207644823,4.857552016,3.394095407,3.285732229,2.630612111,2.399090604,1.704408762,1.52568637,0.590163934,1.631664843,1.392915434,0.969638151,0.508471971,0.33100058,0.184054463,0.590163934,0.590163934,0,0,1,0,0,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.40824829,0.552585858,0.288675135,0.083333333,0.112796116,0.058925565,6.405777394,3.808060412,2.682521985,1.562948829,1.129936127,0.288675135,0.144337567,0,0.800722174,0.54400863,0.383217426,0.260491471,0.225987225,0.144337567,0.144337567,0,5.437816924,2.964690378,1.55502117,0.75944935,0.437280567,0.144337567,0.072168784,0,0.679727116,0.423527197,0.222145881,0.126574892,0.087456113,0.072168784,0.072168784,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.3496,31.541,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,61,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,1,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.06416667,-0.087962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.119166667,0.5125,0,0,0,0,0,0,0,0,0,0,3.768333333,0,1.92212963,0,0,0,0,0,0,-0.087962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.42083333,4.643333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.643333333,-0.087962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305625,0.5125,0,0,0,0,0,0,0,0,0,0,1.813055556,0,0.498842593,0,0,0,0,0,0,-0.087962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.42083333,4.643333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.42083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,1.955277778,0,0.873842593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.42083333,4.643333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.66666667,2.583333333,0.577083333,10.42083333,0.265555556,-0.087962963,2.566789259,1.75462963,3.420833333,9.128333333,1.75462963,3.420833333,9.128333333,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.36364,0.13636,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,5.68199,0.71025,8.49821,2.81622,0.35203,2.72862,0.34108,3.80805,1.07943,0.13493,0.10595,0.01324,0.10595,0.01324,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,2.070950594,3.246439345,3.546439345,3.446439345,2.892598565,25.90923688,41.41901189,64.92878689,70.92878689,68.92878689,57.8519713,0.299741647,0.479172848,0.751155335,0.820568799,0.797430977,0.669284287,3.026466251,2.2509775,1.07548875,0.77548875,0.87548875,1.42932953,0.299741647,0.479172848,0.751155335,0.820568799,0.797430977,0.669284287,12.01211119,21.71746765,24.00137214,24.30371965,23.10371965,18.65606528,29.38046565,17.93632218,16.35670797,15.69343894,17.0865958,18.42570357,8,5.142857143,5,8,3,4,1.9,1.0284,0.166666667,2.481111325,0.666666667,0,1.310370697,1.889881575,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,3.358,7,6,5,2,1,0,0,0,0,36,2.197224577,2.302585093,2.197224577,2.079441542,1.098612289,0.693147181,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.666666667,0.375,0.08,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.0625,0.016,0.027777778,0,0,0,0,0,0.415801587,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,26.3,127.2763612,4,3.36729583,4.007333185,4.709530201,5.370638028,6.084499413,6.751101469,7.467942332,8.135932772,8.853522561,69.74779579,2.708050201,0,3.761200116,0,4.990432587,0,6.304448802,0,7.656810091,7.96241568,116.0837296,5.804186481,14.6584741,1.832309262,5.257553224,5.257553224,0,75,6,1.486,28,1.230631579,2.107692726,2.83790034,3.685315237,4.837303943,5.714353202,6.877477724,7.811163989,0,0,94.58963281,102.410161,103.9696851,172.6294289,123.8158628,87.68888911,34.63293718,7.936642527,0,0,279.0386343,308.5179451,345.692627,541.1101439,590.5811098,561.5951989,422.2870862,242.8002251,0,0,9.500427541,16.2091211,21.77606087,29.09430426,38.59910456,39.86715944,47.20103442,52.47902406,0,0,1.953218228,2.322757739,2.627486544,3.943137699,4.703755219,5.341560945,4.725163205,3.472944311,0,0,180.0610686,338.6383165,480.1443277,598.7349254,807.9290195,941.6552918,1192.516008,1444.422104,0,0,3.629951754,6.387920945,7.452444857,13.22144738,15.49822181,8.819608703,9.370032032,7.811163989,0,0,0.448387105,0.564458264,0.65428571,0.993848441,1.160595613,1.153783288,1.047229192,0.799863192,0,0,350.4533653,257.3527537,11.84709391,181.5206099,-133.2982743,-19.82019994,168.9327554,390.651028,31.66729384,0.658779154,0.483769443,0.022270063,0.341220846,-0.250572924,-0.037257838,186.4320699,136.9049674,6.302345641,96.56424046,-70.91121287,-10.54383055,0.356006591,0.430170979,2.015266895,4.336776503,481.9716257,50.00234953,0.906006023,0.093993977,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,971.5275797,31.16933717,9.904176654,1.993727069,1.993727069,659.3854423,597.8854594,78.22937909,1.102862483,8.428872246,7.642722803,4.120236011,4.434143809,8.525339268,0.922657368,3.360032699,4.293028381,3.240085853,11.33115018,5.582960372,1.729145221,3.725581991,6.01877549,2.067922781,2.379333134,3.09487782,2.381686651,1.639284772,3.215169661,0.041033352,1.975447144,3.28E-10,1.11E-41,7.22E-95,9.06E-170,2.20E-266,0,0,0,0,0,0,0,0,0,0.298491782,4.443993512,0.286487086,3.380371613,0.198553387,1.674762016,0.528048428,0.545834436,0.035481068,0.18264164,1.930208602,0.109958855,0.217084039,0.022736344,0.003440122,0.013913236,2.31E-12,7.81E-44,5.08E-97,6.38E-172,1.55E-268,0,0,0,0,0,0,0,0,0,0.91615042,4.162911006,0.669223861,3.858250584,0.594498281,1.526609338,0.798792738,1.169392749,0.185643936,0.376725247,2.146680987,0.414211176,0.355183871,0.236208745,0.011107455,0.144986644,2.41E-11,8.13E-43,5.30E-96,6.65E-171,1.61E-267,0,0,0,0,0,0,0,0,0,3.176711882,4.44359216,3.540745267,12.06376422,5.525413073,1.809895144,3.798421291,6.253598238,1.853500277,2.675154216,3.016056015,2.18620294,1.498374758,2.86472069,0.038729712,1.76008784,2.92E-10,9.87E-42,6.43E-95,8.07E-170,1.96E-266,0,0,0,0,0,0,0,0,0,1.342655413,4.056109269,0.855571454,4.238142845,0.943026089,1.479427549,1.029370938,1.555316764,0.367495943,0.453557981,2.301595452,0.67041657,0.495176899,0.512852985,0.016372694,0.314930364,5.23E-11,1.77E-42,1.15E-95,1.44E-170,3.50E-267,0,0,0,0,0,0,0,0,0,4.057749124,4.38850086,4.430148338,14.91546658,8.140938654,1.831598152,5.036179549,8.295412795,2.976984805,3.446462693,3.39525969,3.169524351,2.222146841,4.688727234,0.049565205,2.881004004,4.79E-10,1.62E-41,1.05E-94,1.32E-169,3.20E-266,0,0,0,0,0,0,0,0,0,2.093644735,4.437090455,2.787832971,13.84667035,4.137845577,1.850732743,3.301394173,6.691945823,0.762161154,2.158107699,2.587399245,1.040634223,0.878793043,1.120233593,0.028567338,0.68803534,1.14E-10,3.86E-42,2.51E-95,3.16E-170,7.65E-267,0,0,0,0,0,0,0,0,0,7.657035099,0.804275432,0.414987615,0.86263834,0.09060933,0.607354384,0.476857155,0.499981437,8.876298146,9.66970429,21.10164773,0.79395751,1.584192977,5.100960598,0.638918684,0.072022644,0.877674927,0.109932806,0.269428505,0.300847849,0.015059888,5.811901926,3.672500317,9.719131172,0.81651239,0.585336241,6.515520851,0.615744993,0.210524282,0.887456702,0.083868509,0.439699572,0.279513342,0.128673169,7.341790125,5.513203957,13.69959631,0.831185053,0.847886083,7.369867247,0.820344462,0.391942828,0.858743246,0.09558724,0.562630282,0.496115069,0.445994038,8.582154537,9.25592452,20.20769868,0.788114869,1.504739389,7.132247079,0.630391349,0.281990891,0.886584925,0.078361765,0.526926243,0.292963688,0.230862698,8.044629319,6.685100179,15.99759067,0.829877387,1.05075263,7.732411114,0.836856981,0.437491478,0.858511993,0.092914324,0.619375155,0.516272322,0.555677491,9.006759573,10.21990398,22.05763688,0.78776799,1.691324967,7.43027877,0.834180404,0.395511045,0.858002809,0.096326013,0.571918528,0.512975106,0.454151592,8.659970219,9.466877833,20.57830182,0.787004213,1.539045226 +UMLRON0040,L,Ethyl buanoate,CCCC(=O)OCC,7762,"""ETHYL BUTYRATE ""","Sandia, UML",[11],C6H12O2,UML,ethyl butanoate (spelling),115.4,0,2.2962,5.27253444,39.5198,20.74793,6,6,18,8,10,0,8,0,0,0,0,0,0,0,0,0,1164.273608,1275.183848,1618.236826,1302.451087,544.894898,231.131545,72.642528,9.144576,0,3698.972658,4535.501378,6027.984113,5780.464594,3576.938553,1547.109022,688.4196982,279.7536999,0,127.508768,131.500448,215.362792,237.043708,251.492168,144.304804,42.705792,60.466176,0,26.75732905,33.4466431,46.14629777,47.13658925,34.07326687,15.69474653,6.68126586,4.001516144,0,2863.531369,2545.580326,4521.165141,4932.336942,5904.886795,3634.376771,918.7352863,1664.258868,0,39.55555556,48,68,75.44444444,60.66666667,28,12,9,0,64.68186711,70.84354711,53.94122753,39.46821476,15.13596939,11.00626405,12.107088,1.016064,0,205.498481,251.9722988,200.9328038,175.1655938,99.35940425,73.67185819,114.7366164,31.08374443,0,7.083820444,7.305580444,7.178759733,7.183142667,6.985893556,6.871657333,7.117632,6.718464,0,1.48651828,1.858146839,1.538209926,1.428381492,0.946479635,0.747368882,1.11354431,0.444612905,0,159.0850761,141.4211292,150.7055047,149.4647558,164.0246332,173.0655605,153.1225477,184.917652,0,2.197530864,2.666666667,2.266666667,2.286195286,1.685185185,1.333333333,2,1,0,0.041982015,0.001539808,-0.002835092,-0.03000414,-0.01154366,0.021532128,-0.006612255,0.006932205,0,538.0711511,3.27E-13,98.6463777,-408.0372896,-188.3249029,192.8088291,-179.3570504,215.2284604,0,1000.566282,-4.26E-14,183.4371517,-758.7627638,-350.1981987,358.536251,-333.522094,400.2265128,0,0.105404444,1.52E-15,0.019324148,-0.079931704,-0.036891556,0.037769926,-0.035134815,0.042161778,0,4.472996822,3.94E-15,0.820049417,-3.39202259,-1.565548888,1.602823861,-1.490998941,1.789198729,0,24.29738973,4.40E-14,4.45452145,-18.42552054,-8.504086404,8.706564652,-8.099129909,9.718955891,0,3.901234568,-0.790123457,1.695473251,-2.744855967,-2.197530864,2.041152263,-1.448559671,1.49382716,0,0.002332334,8.55E-05,-9.45E-05,-9.09E-04,-3.21E-04,0.001025339,-0.001102043,7.70E-04,0,29.89284173,1.82E-14,3.28821259,-12.36476635,-5.231247302,9.181372817,-29.89284173,23.91427338,0,55.58701566,-2.37E-15,6.114571723,-22.99281102,-9.727727741,17.07315481,-55.58701566,44.46961253,0,0.005855802,8.46E-17,6.44E-04,-0.002422173,-0.001024765,0.001798568,-0.005855802,0.004684642,0,0.248499823,2.19E-16,0.027334981,-0.102788563,-0.043487469,0.076324946,-0.248499823,0.198799859,0,1.349854985,2.44E-15,0.148484048,-0.558349107,-0.236224622,0.414598317,-1.349854985,1.079883988,0,0.216735254,-0.043895748,0.056515775,-0.083177454,-0.061042524,0.097197727,-0.241426612,0.165980796,0,0.036677806,-0.040518661,-0.389831097,-0.137483401,0.439619435,-0.472506291,0.330246396,0,6.07E-16,0.11,-0.413636364,-0.175,0.307142857,-1,0.8,0,-4.26E-17,0.11,-0.413636364,-0.175,0.307142857,-1,0.8,0,1.44E-14,0.11,-0.413636364,-0.175,0.307142857,-1,0.8,0,8.81E-16,0.11,-0.413636364,-0.175,0.307142857,-1,0.8,0,1.81E-15,0.11,-0.413636364,-0.175,0.307142857,-1,0.8,0,-0.202531646,0.260759494,-0.383774453,-0.28164557,0.448462929,-1.113924051,0.765822785,0,0.96731211,0.993093135,1.479049058,1.143847354,0.48951253,0.921450203,0,0,1.0625,0.8925,1.390909091,1.0625,0.546428571,1.9125,0,0,1.0625,0.8925,1.390909091,1.0625,0.546428571,1.9125,0,0,1.0625,0.8925,1.390909091,1.0625,0.546428571,1.9125,0,0,1.0625,0.8925,1.390909091,1.0625,0.546428571,1.9125,0,0,1.0625,0.8925,1.390909091,1.0625,0.546428571,1.9125,0,0,1.291139241,0.64556962,1.437859609,1.223892405,0.276672694,2.178797468,0,0,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,25.6517298,12.75919824,18.61519495,25.6267298,3.203341226,12.75920965,-0.05,3.33E-16,4.16E-17,-28.51055062,39.04919554,4.881149442,2.93185782,0,11.85,12.15008271,-0.208589204,0.091499259,5.84578125,7.659085743,8,18,15,12,2,3,0,0,0,6,10.93207,3.799577752,3.025396389,2.619181914,2.384946851,1.842719103,0.941428501,0.362339541,0.280919995,1.98899578,1.517066688,1.216938438,1.082250302,0.637206443,0.310513972,0.083923071,0.083923071,3.810779039,3.053343152,2.645815032,2.448321326,1.904489599,1.053336623,0.477714833,0.427232027,1.957388135,1.4383458,1.110593711,1.007167592,0.531896723,0.150156259,0.270913902,0.270913902,3.862194007,3.18743532,2.771820215,2.716126481,2.158952528,1.517793787,0.957008449,0.956724315,1.87294753,1.216149863,0.798620231,0.767072651,0.206597349,0.396843083,0.943918427,0.943918427,3.819136668,3.074565934,2.665925019,2.494510478,1.949078733,1.134811365,0.562249297,0.528462823,1.938086149,1.388772714,1.040211722,0.960278991,0.463824367,0.041902902,0.399277246,0.399277246,3.888755316,3.258431154,2.838821757,2.838078588,2.273637886,1.721464227,1.207644823,1.207644823,1.848797093,1.151850519,0.738564276,0.650190428,0.097067588,0.594311107,1.157463255,1.161375552,3.8165219,3.077733288,2.722592367,2.567249127,1.986153783,1.230214688,0.609872562,0.598673466,1.932706055,1.354128395,0.954599352,0.889742168,0.414770323,0.067369896,0.52173913,0.52173913,0,0,0,4,2,2,0,0,0,0,0,0,0.083333333,0.166666667,0,0,0,0.027777778,0.055555556,0.577350269,0,0,0,0.333333333,0,0,0,0.816496581,0.760079655,1.138071187,0.384900179,0.303561201,0.414672312,5.983127663,3.7876937,3.365043969,2.304530453,1.426746322,1.304737854,0.333333333,0,0.747890958,0.473461713,0.336504397,0.230453045,0.142674632,0.108728155,0.083333333,0,5.309401077,2.821367205,2.154700538,1.218233513,0.636894534,0.525783423,0.111111111,0,0.663675135,0.352670901,0.215470054,0.121823351,0.063689453,0.043815285,0.027777778,0,10.70913902,17.43918427,16.62745098,16.8,11.99277246,135.3693593,0.594952168,0.96884357,0.923747277,0.933333333,0.666265136,7.52051996,1.74264,33.722,30.70152702,40.30404889,61.40305404,7.675381755,30.70152702,0.094421893,0.011802737,-1.887985849,23.37145629,2.921432036,2.521212369,58,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,4,0,0,0,0,0,0,0,0,2,0,0,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.626388889,0,0,0,0,1.626388889,0,0,0,0,0,0,0,0,4.193333333,0,0,0,0,8.481481481,0,0,0,0,2.658518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.329259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0,0.406597222,0,0,0,0,0,0,0,0,2.096666667,0,0,0,0,2.12037037,0,0,0,0,1.329259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0,0.406597222,0,0,0,0,0,0,0,0,2.096666667,0,0,0,0,2.12037037,0,0,0,0,1.329259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.33333333,1.916666667,0.406597222,2.12037037,0.1775,1.329259259,4.879186667,0.337407407,0.12037037,1.34962963,0.337407407,0.12037037,1.34962963,4,0.5,0,0,0.47778,0.7,0.43333,0.43333,0.7,0.04444,0.04444,0,0,0.71429,0,0,0.25,0.25,0,10,1.25,4,0.5,6,0.75,2,0.25,0,0,4.09034,0.51129,8.39431,4.30397,0.538,1.7065,0.21331,3.78768,2.08118,0.26015,0.12632,0.01579,0.21232,0.02654,0.333333333,8,0,0,0,0,0,0,0.25,0.99107606,2.197159723,2.197159723,2.419381946,2.419381946,2.197159723,17.83936908,39.54887502,39.54887502,43.54887502,43.54887502,39.54887502,0.237672394,0.526906293,0.526906293,0.580197952,0.580197952,0.526906293,3.178848942,1.972765278,1.972765278,1.750543056,1.750543056,1.972765278,0.225638533,0.500227901,0.500227901,0.550821289,0.550821289,0.500227901,6.714395846,15.2580338,15.2580338,17.92470047,15.48199492,15.2580338,29.66949396,25.1248139,25.1248139,22.0050139,24.60484724,25.1248139,6.125,2.52,1.8,0,6,0,2.34,0.9982,0.2,3.265986324,2,0,3.301927249,5.656854249,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,3.896,10,10,10,12,4,0,0,0,0,62,2.48490665,3.020424886,3.409496184,3.803880847,4.298135385,3.446011397,0,0,0,0,5.373250891,3.460685484,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,5,0.666666667,2,0.888888889,0.25,0.302222222,0,0,0,0,0,0,0.25,0.088888889,0.035714286,0.151111111,0,0,0,0,0,0,0.525714286,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,0,115.7585009,4,3.610917913,4.343805422,5.129898715,5.888877958,6.670766321,7.438971592,8.217438538,8.989319566,9.765890765,76.05588679,2.833213344,0,4.043051268,0,5.451038454,0,6.940222469,0,8.463159303,8.712924435,106.0782503,5.893236129,15.53282921,1.941603651,0,0,0,62,7,2.866,36,1.231350208,2.153769403,3.054081916,3.803147509,4.921182279,6.121223541,6.552566751,0,0,0,96.27497539,127.3553707,126.9106336,62.84478792,58.47853179,74.11019208,6.657827183,0,0,0,331.391896,462.6330381,552.0594153,403.2552061,370.313278,702.3284771,203.6783102,0,0,0,9.024660361,15.52079594,21.97216747,26.66740925,33.81586865,43.56861655,44.02318382,0,0,0,2.402651941,3.488991624,4.463319945,3.785854084,3.711402594,6.816253644,2.913355737,0,0,0,172.3376467,320.4353436,454.0796648,616.0766503,852.0166314,937.2973437,1211.685258,0,0,0,3.381661893,5.092398481,7.113058049,6.66284114,6.618832576,12.24244708,6.552566751,0,0,0,0.494081992,0.723624636,0.936202266,0.815232167,0.811309312,1.46909365,0.670982835,0,0,0,264.2921107,109.5841137,10.46647079,108.9695773,-45.18233448,-5.519303014,155.3225334,154.7664482,15.98577381,0.708061178,0.293585217,0.028040571,0.291938822,-0.12104734,-0.014786685,98.65011935,40.90355124,3.906732555,40.67416836,-16.86483444,-2.06014436,0.149598018,0.141303915,3.8620868,1.804189934,373.261688,0,1,0,604.8962865,24.59463938,8.457207237,702.6158965,26.50690281,8.890086578,980.0983618,31.30652267,9.933216191,1.833740952,1.833740952,413.5027283,328.6159416,91.62968927,1.258316095,4.512759256,3.586347877,3.705446905,4.288153178,6.664765497,0.554227478,3.1157585,2.872001084,3.665941125,7.416912782,0.135536587,4.808251928,4.302966477,5.908330452,0.88460686,1.326164933,1.452645365,1.83923252,2.73E-05,7.61E-31,4.94E-78,6.44E-147,1.67E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,0.261593628,2.871879065,0.283316288,4.151625241,0.011785942,0.286280831,0.429999584,0.38752184,0.006235093,0.051674526,0.121938123,0.012954489,1.93E-07,5.36E-33,3.48E-80,4.54E-149,1.17E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844189527,2.871887516,0.92997715,4.597598516,0.036964138,0.750601875,1.219391513,1.322219663,0.064937302,0.136838387,0.393563087,0.134990864,2.01E-06,5.58E-32,3.62E-79,4.73E-148,1.22E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,2.941028572,2.871987793,3.443362505,7.138993932,0.12793167,4.369143814,4.065454723,5.502350528,0.788172046,1.18623701,1.371180155,1.638723492,2.44E-05,6.78E-31,4.40E-78,5.74E-147,1.48E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,1.244123348,2.871898203,1.386896165,4.969228532,0.054272513,1.20554411,1.761629698,2.020933597,0.141040847,0.247257912,0.580025334,0.29321666,4.36E-06,1.21E-31,7.87E-79,1.03E-147,2.65E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,3.762704777,2.872056906,4.507644971,8.534507365,0.163727087,6.618324159,5.182832816,7.488700245,1.290100527,1.914543001,1.754274673,2.682345742,3.99E-05,1.11E-30,7.20E-78,9.39E-147,2.43E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,1.69634622,2.622347992,1.731884555,5.706314981,0.073846163,1.756600806,2.368033919,2.779708344,0.24081158,0.395814483,0.790869376,0.500662857,7.44E-06,2.07E-31,1.34E-78,1.75E-147,4.53E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.913938494,1.503401335,0.185827252,0.744179033,0.227678827,0.566059351,0.437948295,0.222237974,6.60316708,8.580138312,16.55612683,0.61626855,1.22624562,3.065824818,0.831967049,0.031761634,0.780196736,0.211720504,0.220350474,0.134116491,0.006492399,3.929553502,2.674465469,6.685032267,0.670295105,0.360959364,3.69988704,1.062333065,0.084619795,0.763360688,0.219180556,0.32091327,0.218672541,0.046083283,4.8468399,4.333490428,9.512929475,0.645041032,0.585669094,4.856591742,1.482567454,0.181046653,0.744852518,0.227380468,0.552924691,0.425894436,0.210950454,6.52020585,8.347908412,16.17169087,0.617278776,1.189769581,4.020698892,1.17888672,0.111363873,0.757058395,0.221972874,0.378975327,0.269288291,0.079815662,5.310949484,5.318994517,11.15780303,0.635587592,0.728079281,5.098376038,1.570406691,0.201202512,0.742123288,0.228589529,0.609348171,0.477855969,0.260535109,6.869985241,9.348299677,17.82921762,0.613184933,1.347739249,4.854883392,1.482877352,0.180720336,0.744787525,0.227488173,0.55253579,0.426072507,0.210190707,6.518481079,8.344558878,16.16408119,0.617181288,1.188799004 +UMLRON0041,L,p-xylene,CC1=CC=C(C=C1)C,7809,Sandia values from independent api report ,Sandia,,C8H10,PubChem,,103.4,0,-0.7667,0.58782889,31.1711,23.259102,0,0,23,9,14,0,7,0,2,0,0,0,0,0,0,0,1536.009745,1467.311804,1650.192872,1454.273155,1137.947589,898.906268,702.149539,307.657897,78.738912,3832.572288,4632.085644,5676.308337,5555.07713,4721.063408,3654.726637,2647.928293,1675.784234,874.9221648,173.54554,167.45108,301.955216,347.198116,316.9281,265.94048,203.05558,140.266468,83.016576,27.03328867,33.55214034,44.4741589,45.35952181,38.83004553,30.87189014,21.85036128,14.2329069,9.348943289,3847.310193,3237.717434,6440.16748,7792.668112,7022.167554,6097.165481,4618.210326,3113.018667,2028.241198,95.02777778,60.75,103.9166667,108.3333333,106.5833333,79.41666667,70.5,50,18,66.78303239,66.69599109,41.2548218,30.94198202,27.09399021,24.96961856,26.00553848,17.09210539,6.561576,166.6335777,210.5493475,141.9077084,118.1931304,112.4062716,101.5201844,98.07141824,93.09912411,72.9101804,7.545458261,7.611412727,7.5488804,7.387193957,7.545907143,7.387235556,7.520577037,7.792581556,6.918048,1.175360377,1.525097288,1.111853972,0.965096209,0.924524894,0.857552504,0.80927264,0.79071705,0.779078607,167.2743562,147.1689743,161.004187,165.8014492,167.1944656,169.3657078,171.0448269,172.9454815,169.0200999,4.131642512,2.761363636,2.597916667,2.304964539,2.537698413,2.206018519,2.611111111,2.777777778,1.5,0.273068304,-0.153941587,0.031960938,0.013730048,-0.037960813,0.008298328,0.030620113,-0.041394299,0.001113403,799.1117029,-15.00476101,-49.35780647,23.67823622,-254.0922898,11.34199864,2.616396371,-266.1244476,-47.4085995,1081.795272,-149.5950004,-203.5400037,-13.0093392,-214.6578949,17.30891135,16.14615326,-114.450751,-137.7484193,1.975925913,0.013204083,0.649213369,-0.160249301,-0.632921059,-0.200742473,-0.270254941,-0.664586888,0.103940915,4.769103567,-1.066326256,-0.81783724,-0.366923567,-0.506944012,-0.079408475,-0.082108732,0.332236199,-0.702102946,26.67799994,-6.490143964,-3.956324616,-2.622008924,-2.235773579,-0.809084441,-0.852528195,3.00277212,-3.911578793,38.15700483,0.358275572,9.933469859,-1.101029196,-14.42800882,-4.539224953,-1.901701323,-10.84751103,0.497794581,0.011872535,-0.006997345,7.99E-04,2.92E-04,-9.04E-04,2.31E-04,0.001134078,-0.002299683,9.28E-05,34.74398708,-0.682034591,-1.233945162,0.50379226,-6.049816423,0.315055518,0.096903569,-14.78469154,-3.950716625,47.03457702,-6.799772747,-5.088500091,-0.276794451,-5.110902259,0.480803093,0.598005676,-6.358375055,-11.47903494,0.085909822,6.00E-04,0.016230334,-0.00340956,-0.015069549,-0.00557618,-0.010009442,-0.036921494,0.008661743,0.207352329,-0.048469375,-0.020445931,-0.007806884,-0.012070096,-0.002205791,-0.003041064,0.018457567,-0.058508579,1.159913041,-0.295006544,-0.098908115,-0.055787424,-0.053232704,-0.022474568,-0.031575118,0.166820673,-0.325964899,1.65900021,0.016285253,0.248336746,-0.023426153,-0.34352402,-0.126089582,-0.070433382,-0.602639502,0.041482882,-0.589372436,0.067300155,0.024605418,-0.076127708,0.019415324,0.095521156,-0.19369775,0.007814979,-0.019630291,-0.035515359,0.014500128,-0.174125566,0.009067915,0.002789075,-0.425532381,-0.113709363,-0.144569659,-0.108186369,-0.005884914,-0.10866266,0.010222333,0.012714171,-0.135185122,-0.244055239,0.006986228,0.188922917,-0.039687657,-0.175411246,-0.06490736,-0.116511035,-0.429770343,0.100823662,-0.233753706,-0.098604781,-0.037650334,-0.058210562,-0.010637889,-0.014666168,0.089015478,-0.282169866,-0.254335052,-0.085272009,-0.048096212,-0.045893703,-0.01937608,-0.02722197,0.143821707,-0.281025291,0.009816306,0.149690606,-0.014120645,-0.207066893,-0.076003355,-0.042455319,-0.363254626,0.025004748,1.584109521,0.984943229,0.925312729,1.065572511,0.897535693,1.095157547,1.464213124,0.161558657,1.090358552,1.034548099,0.915485414,1.160864139,0.911384472,0.968289213,1.494076747,0.833254033,1.504503624,1.16850344,0.971271864,1.030160034,0.876792745,0.829922305,0.918715983,1.144579577,0.709899086,0.76310685,0.87788863,1.315311172,0.996633409,1.309284957,2.129580632,0.066013609,1.714180848,1.192683652,1.003531124,0.974095582,0.87500543,0.822773043,0.65886919,1.160665414,1.747015013,1.185335401,1.009607197,0.967895706,0.878738061,0.837703566,0.626203804,1.127071739,0.554725581,0.520910616,0.927717894,1.610721746,1.004985124,1.239437165,2.074033044,0.144141293,45.59740545,23.04870272,36.90887934,45.98629433,5.109588259,23.04870272,0.5,0.189503468,0.021055941,-1.497013157,36.26179794,4.029088661,3.23168831,45.60748959,23.05301037,36.91414562,45.99523604,5.110581782,23.05301037,0.498531158,0.189300454,0.021033384,-1.497977838,36.2619753,4.029108367,3.231692712,54.74364989,26.97283047,41.93279417,54.12299182,6.013665757,26.97283047,-0.797988956,0.006888766,7.65E-04,-4.480076939,43.3658146,4.818423845,3.392704304,45.61807373,23.05753167,36.91967364,46.0046212,5.111624578,23.05753167,0.4969896,0.189087381,0.021009709,-1.498991435,36.26217384,4.029130426,3.231697639,64.72824045,31.28182596,48.0240176,63.04467159,7.00496351,31.28182596,-2.164588529,0.181600119,0.020177791,-1.535353341,50.60424359,5.622693733,3.531631894,46.6566905,23.50147944,37.46522542,46.92601035,5.214001149,23.50147944,0.346268372,0.168206623,0.018689625,-1.604305939,36.3440455,4.038227277,3.233727342,48.22765984,24.28870741,40.2682333,48.69279777,5.410310863,24.28870741,1.174603175,0.289709943,0.032189994,-1.114987549,37.14223188,4.126914654,3.253279183,0,11.99632006,15.9982593,-0.349589123,0.261215741,3.996822445,7.054206274,8,22,21,21,7,1,1,0,0,1,18.178898,3.548326563,3.264966179,2.815569099,2.537774284,2.049472931,1.511704076,1.168822574,1.085160348,1.871193283,1.599497674,1.416228458,1.156920087,0.799938421,0.569473718,0.400948043,0.083923071,3.499199422,3.197380463,2.795957385,2.50682941,2.038015646,1.568893035,1.278105062,0.634216703,1.825117274,1.590039841,1.362787373,1.090289639,0.742445146,0.489308491,0.36352774,0.270913902,3.652169788,3.405751385,3.053613671,2.777630858,2.373256538,1.986452783,1.758409614,1.255949894,1.633659374,1.336243715,1.033834972,0.761573641,0.339276477,0.005659841,0.171849612,0.943918427,3.506601395,3.187439316,2.805350997,2.525959563,2.055361123,1.619739597,1.3590943,0.465144215,1.804251707,1.588884991,1.320832899,1.051700886,0.707891748,0.425790806,0.269194954,0.399277246,3.690921526,3.441470125,3.137149909,2.860286179,2.475100364,2.143780586,1.955503145,1.209058028,1.585746856,1.294911788,0.95386135,0.673948094,0.241664401,0.140177699,0.361326013,1.207644823,4.915470075,3.442922778,3.315543106,2.999144554,2.410657628,1.959926776,1.755114049,1.491499724,1.749498632,1.363043847,1.036156006,0.844841936,0.430392845,0.160700989,0.194355565,0.6,0,0,1,0,0,1,4,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.49279928,0.348461713,0.24639964,0.100592232,0.071129449,0.050296116,7.112884175,4.308060412,3.009201922,1.997400241,0.946923425,0.535074775,0.348461713,0.102062073,0.790320464,0.538507552,0.37615024,0.285342892,0.189384685,0.133768694,0.116153904,0.102062073,6.144923706,3.377156753,2.033239394,1.212125132,0.62139964,0.299230856,0.153093109,0.051031036,0.682769301,0.422144594,0.254154924,0.173160733,0.124279928,0.074807714,0.051031036,0.051031036,12.22239284,22.87618354,21.77647059,22.12,13.55036048,177.5068275,0.531408384,0.994616676,0.946803069,0.96173913,0.589146108,7.717688154,1.7397,36.158,25.41191019,39.68761279,50.82382038,5.647091153,25.41191019,0.089797579,0.009977509,-2.16917754,37.38194553,4.153549503,3.259069063,85,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,1,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.92223639,-0.094027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.71189059,0.5125,0,0,0,0,0,0,0,0,0,0,3.533291761,0,3.805166289,0,0,0,0,0,0,-0.094027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46440193,4.457834467,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.457834467,-0.094027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252862812,0.5125,0,0,0,0,0,0,0,0,0,0,1.424880008,0,0.57375,0,0,0,0,0,0,-0.094027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46440193,4.457834467,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46440193,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,2.108411754,0,1.149795918,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46440193,4.457834467,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.16666667,2.462962963,0.566850907,10.46440193,0.252862812,-0.094027778,3.373730109,1.760694444,3.464401927,9.061296296,1.760694444,3.464401927,9.061296296,4.16666,0.46296,0,0.03704,0.52319,0.87037,0.42414,0.52319,0.87037,0.09905,0,-0.09905,0,0.53191,0.18238,0,0.32,0.12,0,6.25,0.69444,4.75,0.52778,1.5,0.16667,-3.25,-0.36111,0,0,6.91544,0.76838,9.9223,3.00686,0.3341,3.18293,0.35366,4.30805,1.12513,0.12501,0.10595,0.01177,0.10595,0.01177,0,8.02,2,2,2,2,0,0,0.857142857,1.264672679,1.999307329,3.348798912,3.675310869,3.464234653,3.762267391,29.08747163,45.98406858,77.02237498,84.53214998,79.67739701,86.53214998,0.279574524,0.441976334,0.740301326,0.812481603,0.765820096,0.831704623,3.258889277,2.524254627,1.174763044,0.848251087,1.059327303,0.761294565,0.279574524,0.441976334,0.740301326,0.812481603,0.765820096,0.831704623,11.60803893,20.77103861,24.40354894,23.77677456,23.56404667,24.82025282,32.94327953,20.86971424,17.35413965,17.47483124,18.10523139,16.15819021,9,6.125,5.87755102,9,3,6,2.01,1.1693,0.142857143,2.576474029,0.632455532,0,3.965406457,1.807204007,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,3.857,8,7,5,4,3,1,0,0,0,45,2.302585093,2.397895273,2.302585093,1.945910149,1.791759469,1.609437912,0.693147181,0,0,0,3.988984047,1.177777778,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.625,7,0.875,0,4,7,0.75,1.5,0.666666667,0.25,0.16,0.111111111,0.040816327,0,0,0,0,0.1875,0.083333333,0.035714286,0.032,0.027777778,0.013605442,0,0,0,0,0.379930839,25.41191019,39.68761279,50.82382038,5.647091153,25.41191019,0.089797579,0.009977509,-2.16917754,37.38194553,4.153549503,3.259069063,26.3,144.5723458,4.169925001,3.496507561,4.143134726,4.828313737,5.501258211,6.196444128,6.876264612,7.5750717,8.257126286,8.957381736,72.8315027,2.833213344,0,3.891820298,0,5.117993812,0,6.411818268,0,7.739359203,8.053251154,130.0993797,5.656494769,16.65751855,1.850835395,5.120782991,5.120782991,0,110,7,2.201,32,1.233227273,2.115662693,2.862637971,3.618101332,4.869059934,5.872890352,7.151454554,8.21855873,9.206464991,0,92.90307534,96.48572755,100.3001323,119.4299573,139.3443689,174.8171475,134.0451451,57.3706715,9.354357644,0,281.9160909,321.2573092,366.6716946,464.1923224,537.8241333,626.7819959,702.5309276,625.1924065,286.1714049,0,9.447098999,16.06774347,21.20918031,27.35500377,36.15051367,44.40618477,55.90064078,56.98033303,61.85330361,0,1.992608666,2.470228826,2.920977756,3.708275048,4.424366345,5.040518414,5.880920373,6.610619207,4.093313143,0,179.7781318,337.2739014,471.2347513,592.4862502,816.8983509,994.0461284,1230.109084,1379.228633,1702.43789,0,3.502094697,5.75640697,6.691373754,9.153149998,11.0409019,15.79064193,20.03395605,12.6383571,9.206464991,0,0.450467386,0.575466985,0.681973649,0.879499401,1.059799372,1.263111034,1.479927356,1.44974467,0.942742015,0,389.9452794,313.1594639,14.18721552,179.1822833,-143.898723,-21.77711878,210.7629961,457.0581869,35.9643343,0.685163231,0.550244768,0.024928006,0.314836769,-0.252840896,-0.038264038,221.9286064,178.2276824,8.074335391,101.9775761,-81.8967295,-12.39395853,0.325229487,0.397157327,2.086517872,6.967323289,514.041658,55.08590459,0.903209916,0.096790084,648.0661598,25.45714359,8.653791915,783.6846649,27.99436845,9.219636166,1070.552975,32.71930585,10.22985287,2.764764615,2.764764615,1036.53007,982.166445,74.42225426,1.055350725,13.92768978,13.19721439,4.520924511,5.363411326,9.785900058,0.824566393,3.917833806,5.241545688,5.088624838,17.53556011,8.606211244,1.551847257,3.805414554,8.32472761,7.902017314,1.188247376,3.936878646,1.890643301,6.469173602,0.011454022,2.915699972,1.34169786,4.119201942,0.552225975,0.020431049,1.43E-22,1.92E-64,5.00E-128,2.51E-213,2.427E-320,0,0,0,0,0,0,0.345304163,5.392468715,0.484452002,4.88842538,0.287850341,1.072367007,0.530365197,0.338216397,3.442067661,0.050705334,1.94026723,1.056246096,0.478400633,0.005785488,0.119257211,0.946041433,0.178823637,0.003889383,1.44E-04,1.01E-24,1.36E-66,3.52E-130,1.77E-215,1.7E-322,0,0,0,0,0,0,1.067266495,5.111389101,1.036808437,5.486953404,1.108265585,0.952502274,1.077390169,1.22268389,3.471183909,0.195981062,1.820913716,0.753048303,1.098123824,0.004816071,0.337268403,0.999421462,0.687221504,0.040530289,0.001499523,1.05E-23,1.41E-65,3.67E-129,1.84E-214,1.78E-321,0,0,0,0,0,0,3.703230625,5.392104873,5.793808777,17.10839018,8.035335891,1.777727223,3.880424747,7.726374095,8.800446734,1.087858148,3.950938699,2.212945633,6.871431515,0.012295375,2.922352465,1.307789254,3.77328905,0.492023408,0.018203697,1.27E-22,1.71E-64,4.46E-128,2.24E-213,2.162E-320,0,0,0,0,0,0,1.565372702,5.004591042,1.246079693,6.322827361,1.868931794,0.893463995,1.415899921,2.012198327,3.53174931,0.321516895,1.911583352,0.659044466,1.453695176,0.004881971,0.51494428,1.044195426,1.124084688,0.088037177,0.003257165,2.28E-23,3.07E-65,7.98E-129,4.00E-214,3.873E-321,0,0,0,0,0,0,4.731374743,5.337037471,7.084567457,23.58080712,12.05769233,1.900147361,4.798533876,11.45075587,10.01230059,1.594857498,4.874403117,2.464702067,9.111549705,0.013857052,4.231318223,1.478244804,5.518824501,0.805369651,0.029796765,2.08E-22,2.81E-64,7.30E-128,3.66E-213,3.5395E-320,0,0,0,0,0,0,2.465227119,5.339543861,6.116588675,13.78515878,5.126156679,2.644691917,3.056326628,4.466494258,12.63369012,0.52689187,3.302664866,5.236865531,7.68030714,0.015134578,1.85421014,1.560906061,2.184424688,0.198801399,0.007355178,5.14E-23,6.93E-65,1.80E-128,9.03E-214,8.735E-321,0,0,0,0,0,0,9.236079731,0.732372582,0.432671491,0.887988635,0.070412832,0.531707058,0.555815316,0.521721165,10.4011238,11.07731669,24.4051393,0.831982953,1.60924354,7.82684809,0.500371291,0.077051133,0.931294165,0.059537742,0.381834254,0.261666877,0.016545502,8.404270514,4.557951773,13.26397996,0.896941247,0.660046633,8.355013068,0.525930896,0.220577479,0.917979826,0.057784943,0.435102553,0.286613544,0.135595174,9.101521444,6.353095745,16.42386982,0.876969738,0.857311272,9.160847171,0.738613603,0.410617078,0.888533268,0.071639964,0.523071337,0.566489359,0.469889685,10.31007785,10.831214,23.919661,0.832799903,1.55945038,8.634564542,0.558790423,0.293230964,0.910186721,0.058903216,0.46472558,0.322535648,0.239630201,9.486585929,7.520688313,18.42208783,0.865280082,1.026891429,9.340249421,0.764325481,0.456503139,0.88440303,0.072371919,0.543764951,0.605771598,0.58077703,10.56107804,11.75176079,25.57181046,0.826604545,1.730313578,9.173935407,0.744546615,0.413962653,0.887876557,0.072059095,0.52456603,0.577920841,0.477577895,10.33244468,10.93630369,24.0962882,0.831814836,1.580064766 +UMLRON0042,L,"Hexanoic acid, methyl ester",CCCCCC(=O)OC,7824,Co optima database valuese measured by NREL,Sandia,,C7H14O2,PubChem,,87.3,0,-0.4734,0.22410756,17.6206,13.70793,0,0,14,4,10,0,4,0,0,0,0,0,0,0,0,0,587.217124,553.863243,466.155986,281.592025,84.835296,9.144576,0,0,0,2004.905051,2417.916869,2702.016388,2068.222976,1061.424631,279.7536999,0,0,0,97.346704,93.797868,168.475592,186.21226,123.32736,60.466176,0,0,0,15.60172905,19.5021431,24.72432358,21.03814958,12.01662072,4.001516144,0,0,0,2356.353945,1911.608545,3876.645596,4616.702266,3137.747111,1664.258868,0,0,0,22.5,26.25,37,37,24,9,0,0,0,41.94408029,42.60486485,19.42316608,10.42933426,4.713072,1.016064,0,0,0,143.2075037,185.9936053,112.5840162,76.60085098,58.96803508,31.08374443,0,0,0,6.953336,7.215220615,7.019816333,6.89675037,6.85152,6.718464,0,0,0,1.114409218,1.500164854,1.030180149,0.779190725,0.66759004,0.444612905,0,0,0,168.310996,147.0468112,161.5268998,170.9889728,174.3192839,184.917652,0,0,0,1.607142857,2.019230769,1.541666667,1.37037037,1.333333333,1,0,0,0,0.020624385,-0.004400557,-0.008541261,-3.26E-04,-0.001770931,0.004726831,0,0,0,345.9028829,-61.76837194,-143.3026229,-27.17808365,-29.64881853,88.94645559,0,0,0,643.2211813,-114.8609252,-266.4773465,-50.5388071,-55.13324411,165.3997323,0,0,0,0.06776,-0.0121,-0.028072,-0.005324,-0.005808,0.017424,0,0,0,2.875497957,-0.513481778,-1.191277725,-0.225931982,-0.246471253,0.73941376,0,0,0,15.61975054,-2.789241168,-6.471039509,-1.227266114,-1.33883576,4.016507281,0,0,0,1.857142857,-0.724489796,-0.469387755,0.31122449,-0.459183673,0.413265306,0,0,0,0.00147317,-3.39E-04,-3.56E-04,-1.21E-05,-9.84E-05,5.25E-04,0,0,0,24.70734878,-4.751413226,-5.970942621,-1.006595691,-1.647156585,9.88293951,0,0,0,45.94437009,-8.835455786,-11.10322277,-1.87180767,-3.062958006,18.37774804,0,0,0,0.00484,-9.31E-04,-0.001169667,-1.97E-04,-3.23E-04,0.001936,0,0,0,0.205392711,-0.039498598,-0.049636572,-0.008367851,-0.013692847,0.082157084,0,0,0,1.115696467,-0.214557013,-0.269626646,-0.045454301,-0.074379764,0.446278587,0,0,0,0.132653061,-0.055729984,-0.019557823,0.011526833,-0.025510204,0.045918367,0,0,0,-0.229779543,-0.241578223,-0.008202871,-0.066784591,0.356512398,0,0,0,-0.192307692,-0.241666667,-0.040740741,-0.066666667,0.4,0,0,0,-0.192307692,-0.241666667,-0.040740741,-0.066666667,0.4,0,0,0,-0.192307692,-0.241666667,-0.040740741,-0.066666667,0.4,0,0,0,-0.192307692,-0.241666667,-0.040740741,-0.066666667,0.4,0,0,0,-0.192307692,-0.241666667,-0.040740741,-0.066666667,0.4,0,0,0,-0.420118343,-0.147435897,0.086894587,-0.192307692,0.346153846,0,0,0,1.785292158,1.282787775,0.825600072,0.817394078,0,0,0,0,1.75,1.327083333,0.842592593,0.758333333,0,0,0,0,1.75,1.327083333,0.842592593,0.758333333,0,0,0,0,1.75,1.327083333,0.842592593,0.758333333,0,0,0,0,1.75,1.327083333,0.842592593,0.758333333,0,0,0,0,1.75,1.327083333,0.842592593,0.758333333,0,0,0,0,2.019230769,1.020833333,0.712962963,1.166666667,0,0,0,0,10.32455532,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,1.78E-15,0,0,0,8.45234659,2.113086648,0.853777642,10.32455532,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,1.78E-15,0,0,0,8.45234659,2.113086648,0.853777642,10.32455532,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,1.78E-15,0,0,0,8.45234659,2.113086648,0.853777642,10.32455532,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,1.78E-15,0,0,0,8.45234659,2.113086648,0.853777642,10.32455532,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,1.78E-15,0,0,0,8.45234659,2.113086648,0.853777642,10.32455532,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,1.78E-15,0,0,0,8.45234659,2.113086648,0.853777642,12,5.958333333,9.979211373,11.95833333,2.989583333,5.962883372,-0.083333333,0,0,0,7.312569945,1.828142486,0.795837911,0,11.89,12.11003668,-0.170621073,0.049612125,4.799903802,5.768507446,3,13,13,13,3,0,0,0,0,0,10.93207,3.328621977,2.67958788,1.873188128,1.26132855,0.083923071,0.083923071,0.083923071,0.083923071,1.832621368,1.439488452,0.940448921,0.594475511,0.083923071,0.083923071,0.083923071,0.083923071,3.363954741,2.736305454,1.959737389,1.377906302,0.270913902,0.270913902,0.270913902,0.270913902,1.761700005,1.339544641,0.810683947,0.442319685,0.270913902,0.270913902,0.270913902,0.270913902,3.517202674,2.977133532,2.314688573,1.838399162,0.943918427,0.943918427,0.943918427,0.943918427,1.547338631,1.02331968,0.38035721,0.079265286,0.943918427,0.943918427,0.943918427,0.943918427,3.38987916,2.777675632,2.022190793,1.460949196,0.399277246,0.399277246,0.399277246,0.399277246,1.716028388,1.273979433,0.724041948,0.33953603,0.399277246,0.399277246,0.399277246,0.399277246,3.590436067,3.088638486,2.471939487,2.034236485,1.207644823,1.207644823,1.207644823,1.207644823,1.478725636,0.917569879,0.22885969,0.270483971,1.207644823,1.207644823,1.207644823,1.207644823,3.399981388,2.894077004,2.116980099,1.543159538,0.571428571,0.571428571,0.571428571,0.571428571,1.690549783,1.146727989,0.603829615,0.227376355,0.571428571,0.571428571,0.571428571,0.571428571,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,6.709139019,13.43918427,12.62745098,12.8,7.992772455,108.3985808,0.479224216,0.959941733,0.901960784,0.914285714,0.570912318,7.742755774,1.8064,20.582,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.8,0,0,0,0,0,0,0,0,0,0,0,4.361111111,0,2.638888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,1.319444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,1.319444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,1.75,0.2,2.180555556,0.2,1.319444444,3.155944444,0.180555556,0.180555556,0.722222222,0.180555556,0.180555556,0.722222222,2,0.5,0,0,0.41429,0.7,0.41429,0.41429,0.7,0,0,0,0,0.71429,0,0,0.5,0,0,1.5,0.375,1.5,0.375,0,0,-1.5,-0.375,0,0,2.95465,0.73866,2.95465,0,0,1.91421,0.47855,1.91421,0,0,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3,0,0,0,0,0,0,1,0.863120569,1.148834854,1.842370993,1.842370993,1.44132029,0.523882466,12.08368796,16.08368796,25.7931939,25.7931939,20.17848406,7.334354528,0.226698216,0.30174094,0.483897885,0.483897885,0.378562104,0.137597486,2.944234353,2.658520068,1.964983929,1.964983929,2.366034632,3.283472456,0.233248109,0.310459011,0.497878937,0.497878937,0.389499735,0.141573031,6.546092095,9.974663524,10.67362661,10.67362661,5.861018167,0.527981863,15.86062537,13.09255136,14.83406016,14.83406016,10.02145172,3.143294798,4,3,4,4,0,4,1.9,0.6722,0.333333333,2.828427125,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,1.77,2,1,0,0,0,0,0,0,0,10,1.386294361,1.098612289,0.693147181,0,0,0,0,0,0,0,2.397895273,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.333333333,3,1,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,0,77.7403972,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,58.07825032,4.148446451,6.871320344,1.717830086,0,0,0,10,1,2.616,10,1.207615385,2.075637186,2.804907462,3.488097614,4.721422713,0,0,0,0,0,61.06881987,45.76900548,34.93504552,19.3874857,4.797267648,0,0,0,0,0,247.0820973,251.229949,231.5205381,227.9199613,146.759497,0,0,0,0,0,8.743989366,14.61830322,19.38426135,24.00486353,31.72070853,0,0,0,0,0,1.933556328,2.251376117,2.288578021,2.506411321,2.099205468,0,0,0,0,0,175.6597976,331.7230453,476.7407941,599.5920089,873.0744024,0,0,0,0,0,2.507596154,3.300437663,3.962325931,4.916582061,4.721422713,0,0,0,0,0,0.403174038,0.481238651,0.498315796,0.553740656,0.483473686,0,0,0,0,0,308.3371088,74.64572099,7.378325385,160.8284036,-38.93515181,-9.699861179,147.5087052,113.5808728,17.07818656,0.65720327,0.159103172,0.015726487,0.34279673,-0.082988094,-0.020674711,144.6611376,35.02119793,3.46165581,75.45514036,-18.26703045,-4.55084034,0.108004056,0.269207615,2.601916055,17.88064912,469.1655123,0,1,0,186.2447074,13.64715016,5.710769702,283.1150683,16.82602354,6.566304143,242.6090631,15.57591291,6.236903247,1.772456863,1.576101964,142.2290853,132.9312702,22.69797826,1.069944529,6.266156558,5.856524697,2.856802787,3.220194404,5.261228039,0.633823111,2.789005534,2.845632051,1.521084503,6.008783601,3.567424353,0.143467533,1.184478626,6.656961858,1.281184098,0.006683872,3.96E-24,4.53E-67,9.99E-132,4.25E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234061908,2.845426268,0.096778603,2.068861152,0.027693835,0.001148244,0.155293471,0.321129024,0.009023484,4.71E-05,2.79E-26,3.19E-69,7.04E-134,2.99E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.755580372,2.845440412,0.332757861,2.452799366,0.268426899,0.010858517,0.365340117,1.193167919,0.094031664,4.91E-04,2.91E-25,3.32E-68,7.33E-133,3.12E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.632593716,2.845609597,1.414520093,5.618901831,3.180279212,0.127912951,1.121461333,6.120066074,1.141511966,0.00595521,3.53E-24,4.04E-67,8.90E-132,3.79E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.113586447,2.845458394,0.511007208,2.84115192,0.57673941,0.0232668,0.509540052,1.916870058,0.20424934,0.001065558,6.32E-25,7.22E-68,1.59E-132,6.77E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368128095,2.845726379,1.937637073,7.621158164,5.194376476,0.208827606,1.417816146,8.814047031,1.8684866,0.0097478,5.78E-24,6.61E-67,1.46E-131,6.20E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.639252232,2.555143688,0.721988759,3.407211246,1.170661215,0.04712165,0.813315532,3.338489944,0.418345828,0.002182489,1.29E-24,1.48E-67,3.26E-132,1.39E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.793218163,0.661344393,0.47486145,0.710846719,0.168305683,0.566036597,0.505702986,0.571406527,3.929424005,3.487717754,8.294343424,0.566270079,1.64314611,2.173345566,0.275378071,0.115292216,0.847633435,0.10740108,0.343038308,0.085987691,0.033683045,2.564015853,0.880810485,3.513827775,0.771450153,0.462709043,2.437234406,0.439917428,0.268447554,0.77480763,0.139851702,0.431146639,0.221442474,0.182612402,3.145599388,1.844546263,5.277970258,0.662211445,0.835201515,2.779542024,0.652847754,0.466935083,0.712826482,0.167425843,0.560513732,0.492611978,0.552489946,3.899324861,3.417320973,8.163954531,0.569239724,1.605615656,2.546976772,0.508239681,0.332102436,0.751915263,0.150041876,0.470765039,0.296577937,0.279483061,3.387318889,2.309119489,6.126336567,0.627872894,1.046826037,2.835550995,0.687639952,0.499394859,0.704907523,0.170944757,0.583304674,0.547328189,0.631974425,4.022585806,3.709301597,8.705626552,0.557361284,1.762607288,2.789128734,0.652496297,0.467303973,0.713527601,0.166924571,0.5643747,0.492425376,0.553363253,3.908929004,3.428181221,8.187554937,0.570291401,1.610163329 +UMLRON0043,L,Butane,CCCC,7843,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C4H10,PubChem,,94,0,0.4708,0.22165264,18.9575,12.374344,0,0,12,4,8,0,4,0,0,0,0,0,0,0,0,0,585.184996,529.649067,426.78653,251.281465,67.647888,6.096384,0,0,0,1942.737562,2188.443636,2264.555306,1652.247277,791.2692929,186.5024666,0,0,0,83.909776,79.562604,126.967304,131.666212,82.617408,40.310784,0,0,0,14.71250324,17.27505448,20.04985193,16.14338353,8.680011884,2.667677429,0,0,0,1986.518641,1605.36345,2862.524997,3200.951258,2060.036303,1109.505912,0,0,0,27.25,29,34.5,33,20,6,0,0,0,48.76541633,48.14991518,23.71036278,13.22534026,5.637324,1.016064,0,0,0,161.8947969,198.9494215,125.8086281,86.960383,65.93910774,31.08374443,0,0,0,6.992481333,7.232964,7.053739111,6.929800632,6.884784,6.718464,0,0,0,1.226041937,1.570459498,1.113880663,0.849651765,0.723334324,0.444612905,0,0,0,165.54322,145.9421318,159.0291665,168.4711188,171.6696919,184.917652,0,0,0,2.270833333,2.636363636,1.916666667,1.736842105,1.666666667,1,0,0,0,0.036479594,-0.007533523,-0.014732324,-8.85E-05,-0.00330953,0.00742406,0,0,0,322.8426907,-53.80711511,-121.066009,-26.90355756,-40.35533633,80.71067267,0,0,0,600.3397692,-100.0566282,-225.1274134,-50.0283141,-75.04247115,150.0849423,0,0,0,0.063242667,-0.010540444,-0.023716,-0.005270222,-0.007905333,0.015810667,0,0,0,2.683798093,-0.447299682,-1.006424285,-0.223649841,-0.335474762,0.670949523,0,0,0,14.57843384,-2.429738973,-5.466912688,-1.214869486,-1.822304229,3.644608459,0,0,0,4.5625,-1.078125,-0.90625,0.171875,-1.3125,0.84375,0,0,0,0.003039966,-6.85E-04,-8.18E-04,-4.66E-06,-2.76E-04,0.001237343,0,0,0,26.90355756,-4.891555919,-6.725889389,-1.415976713,-3.362944694,13.45177878,0,0,0,50.0283141,-9.096057109,-12.50707852,-2.633069163,-6.253539262,25.01415705,0,0,0,0.005270222,-9.58E-04,-0.001317556,-2.77E-04,-6.59E-04,0.002635111,0,0,0,0.223649841,-0.040663607,-0.05591246,-0.011771044,-0.02795623,0.111824921,0,0,0,1.214869486,-0.220885361,-0.303717372,-0.063940499,-0.151858686,0.607434743,0,0,0,0.380208333,-0.098011364,-0.050347222,0.009046053,-0.109375,0.140625,0,0,0,-0.225287297,-0.26923406,-0.001531875,-0.090722773,0.407025373,0,0,0,-0.181818182,-0.25,-0.052631579,-0.125,0.5,0,0,0,-0.181818182,-0.25,-0.052631579,-0.125,0.5,0,0,0,-0.181818182,-0.25,-0.052631579,-0.125,0.5,0,0,0,-0.181818182,-0.25,-0.052631579,-0.125,0.5,0,0,0,-0.181818182,-0.25,-0.052631579,-0.125,0.5,0,0,0,-0.257783313,-0.132420091,0.023792358,-0.287671233,0.369863014,0,0,0,1.440263913,1.164860904,0.863568068,0.997734685,0.134831863,0,0,0,1.5,1.260416667,0.868421053,0.859375,0,0,0,0,1.5,1.260416667,0.868421053,0.859375,0,0,0,0,1.5,1.260416667,0.868421053,0.859375,0,0,0,0,1.5,1.260416667,0.868421053,0.859375,0,0,0,0,1.5,1.260416667,0.868421053,0.859375,0,0,0,0,1.534246575,0.887366819,0.856524874,1.406392694,0,0,0,0,8.746918077,4.373459039,7.441801052,8.746918077,2.186729519,4.399784092,-1.78E-15,0.117440778,0.029360194,-0.856728436,8.309434066,2.077358516,0.846956601,8.746918077,4.373459039,7.441801052,8.746918077,2.186729519,4.399784092,-1.78E-15,0.117440778,0.029360194,-0.856728436,8.309434066,2.077358516,0.846956601,8.746918077,4.373459039,7.441801052,8.746918077,2.186729519,4.399784092,-1.78E-15,0.117440778,0.029360194,-0.856728436,8.309434066,2.077358516,0.846956601,8.746918077,4.373459039,7.441801052,8.746918077,2.186729519,4.399784092,-1.78E-15,0.117440778,0.029360194,-0.856728436,8.309434066,2.077358516,0.846956601,8.746918077,4.373459039,7.441801052,8.746918077,2.186729519,4.399784092,-1.78E-15,0.117440778,0.029360194,-0.856728436,8.309434066,2.077358516,0.846956601,8.746918077,4.373459039,7.441801052,8.746918077,2.186729519,4.399784092,-1.78E-15,0.117440778,0.029360194,-0.856728436,8.309434066,2.077358516,0.846956601,12.2183814,5.9841907,10.39836053,12.0933814,3.02334535,5.989176542,-0.25,0.153140714,0.038285178,-0.750559233,8.38915803,2.097289507,0.850776065,0,11.79,12.21001914,-0.307078384,0.113097695,4.799472424,5.92451672,3,11,10,10,2,1,1,0,0,1,8.745656,3.369993099,2.670741202,1.685066329,0.922709785,0.083923071,0.083923071,0.083923071,0.083923071,1.796517734,1.359481757,0.805165896,0.351652747,0.083923071,0.083923071,0.083923071,0.083923071,3.397889288,2.720641436,1.775874165,1.04905415,0.270913902,0.270913902,0.270913902,0.270913902,1.732790953,1.266702246,0.669556827,0.190753407,0.270913902,0.270913902,0.270913902,0.270913902,3.522314024,2.935436809,2.149135827,1.546352704,0.943918427,0.943918427,0.943918427,0.943918427,1.547459632,0.977149278,0.21818736,0.365230612,0.943918427,0.943918427,0.943918427,0.943918427,3.418541064,2.757206163,1.841487294,1.139005698,0.399277246,0.399277246,0.399277246,0.399277246,1.692369289,1.206142947,0.578873033,0.081745968,0.399277246,0.399277246,0.399277246,0.399277246,3.583813084,3.036408653,2.314430349,1.756363431,1.207644823,1.207644823,1.207644823,1.207644823,1.490535974,0.881882264,0.05885292,0.570834933,1.207644823,1.207644823,1.207644823,1.207644823,3.450188597,2.811195233,1.845598679,1.187154694,0.470588235,0.470588235,0.470588235,0.470588235,1.728377245,1.110956832,0.551965181,0.020485004,0.470588235,0.470588235,0.470588235,0.470588235,0,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,2.991563832,1.523603362,0.696923425,0.288675135,0,0,0,0,0.747890958,0.507867787,0.348461713,0.288675135,0,0,0,0,6.167311215,11.55134741,10.90196078,11.04,7.194217964,92.11302036,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.50859,20.218,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,2,1,0,2,0,0,0,0,0,0,0,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.354166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0.359722222,0,0,0.533680556,0.290277778,0,0.766319444,0,0,0,0,0,0,0,0,2.0625,3.479166667,1.083333333,0,1.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0.359722222,0,0,0.243402778,0.290277778,0,0.359722222,0,0,0,0,0,0,0,0,2.0625,3.479166667,1.083333333,0,1.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.479166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0.359722222,0,0,0.290277778,0.290277778,0,0.406597222,0,0,0,0,0,0,0,0,2.0625,3.479166667,1.083333333,0,1.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.5,2.125,0.406597222,3.479166667,0.243402778,1.083333333,3.044541667,0.416666667,0.479166667,1.083333333,0.416666667,0.479166667,1.083333333,2,0.5,0,0,0.43333,0.7,0.41429,0.41429,0.7,0.01905,0.01905,0,0,0.71429,0,0,0.5,0,0,2.5,0.625,1.5,0.375,1,0.25,-0.5,-0.125,0,0,1.99591,0.49898,2.95465,0.95875,0.23969,1.34933,0.33733,1.91421,0.56488,0.14122,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3,0,0,0,0,0,0,0.5,0.918295834,2.221251836,2.855388542,2.855388542,2.257894792,0.930827083,11.01955001,26.65502203,34.26466251,34.26466251,27.09473751,11.169925,0.256152145,0.61960253,0.796490491,0.796490491,0.629823824,0.259647649,2.666666667,1.363710665,0.729573959,0.729573959,1.327067709,2.654135417,0.256152145,0.61960253,0.796490491,0.796490491,0.629823824,0.259647649,6.73287657,15.37414489,16.01324374,16.01324374,8.843318735,0.938110835,15.79950001,11.30124668,10.69198021,10.69198021,7.10701771,2.361654167,4,3,4,4,2,4,1.9,0.6292,0.333333333,2.828427125,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,1.663,2,1,0,0,0,0,0,0,0,10,1.609437912,1.386294361,1.098612289,0,0,0,0,0,0,0,2.63905733,1.3,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.333333333,2,0.666666667,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,0,75.1039385,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,56.06260026,4.671883355,6.871320344,1.717830086,0,0,0,10,1,2.25,10,1.202272727,2.100468149,2.863150544,3.592438326,4.791144416,0,0,0,0,0,66.90222105,56.01398019,44.55773169,23.29835151,4.86810936,0,0,0,0,0,260.2497686,282.9111972,267.9399469,259.860931,148.9267086,0,0,0,0,0,8.724835344,14.86211881,19.88341516,24.84281006,32.18913128,0,0,0,0,0,2.002377113,2.456310925,2.547931469,2.78228388,2.130204636,0,0,0,0,0,173.6667057,330.6758999,479.3215504,607.978928,885.967176,0,0,0,0,0,3.264272727,4.181218414,5.193645257,6.407557504,4.791144416,0,0,0,0,0,0.416284773,0.522181042,0.551095897,0.611629732,0.490613188,0,0,0,0,0,286.7902338,84.2287473,10.15177386,181.3014757,-53.2472671,-11.27774078,105.4887581,137.4760144,21.42951464,0.612679584,0.179940695,0.021687575,0.387320416,-0.11375392,-0.024093015,134.2441308,39.4267783,4.751961179,84.86571766,-24.92460428,-5.279016959,0.192789345,0.349475334,5.454800957,9.4738351,468.0917094,0,1,0,206.8946702,14.38383364,5.914478185,285.0278957,16.8827692,6.581059069,264.4605705,16.26224371,6.418797037,1.70502139,1.466135249,132.8825362,121.4095229,18.17309486,1.094498463,7.312047684,6.680729058,2.728819893,3.19886722,5.260090829,0.644360477,2.476191103,2.01784483,3.07105848,3.085834795,3.779833838,1.246225129,0.150918398,1.883615725,0.003219878,0.006329754,3.35E-24,3.42E-67,6.73E-132,2.55E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.207820268,2.01774154,0.145896662,1.886173363,0.030954687,0.08649394,0.008367528,0.104604634,2.27E-05,4.46E-05,2.36E-26,2.41E-69,4.74E-134,1.80E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.670843116,2.017748685,0.544664133,2.063255672,0.288550755,0.284130924,0.028514869,0.372912171,2.36E-04,4.65E-04,2.46E-25,2.51E-68,4.94E-133,1.87E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.337323066,2.017833576,2.821822975,2.988409052,3.370747432,1.161398867,0.139025206,1.741159448,0.002868854,0.005639697,2.98E-24,3.04E-67,5.99E-132,2.27E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.988693785,2.017757728,0.877290938,2.204946617,0.616108262,0.431408814,0.045002925,0.585252851,5.13E-04,0.001009104,5.34E-25,5.45E-68,1.07E-132,4.07E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.990356939,2.017892099,4.073525869,3.47378974,5.498399346,1.575999648,0.198548668,2.449156726,0.004695885,0.009231352,4.88E-24,4.98E-67,9.81E-132,3.72E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.194662128,1.38714446,1.086607559,2.161061874,0.853513486,0.387819331,0.053235588,0.822789897,7.13E-04,0.001401745,7.42E-25,7.57E-68,1.49E-132,5.65E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.824008981,0.751661312,0.277002512,0.732999952,0.195101258,0.543077654,0.495458849,0.333320474,3.852672805,3.11316795,7.553833517,0.599499928,1.371856978,2.130246309,0.264452219,0.059717373,0.867923936,0.10774548,0.30881677,0.060504048,0.015491589,2.454415902,0.706353471,3.194411057,0.801885903,0.384812406,2.405526919,0.458215262,0.146015978,0.799242594,0.152243216,0.393820244,0.182797804,0.092617987,3.009758158,1.520401261,4.691105406,0.698863892,0.669236035,2.806808727,0.739624032,0.271623145,0.735140814,0.193717444,0.536464913,0.479598245,0.320500064,3.818055904,3.039276408,7.421217394,0.602711222,1.336563221,2.528345835,0.544468407,0.184482818,0.77620978,0.167153439,0.435113995,0.258710629,0.147844925,3.257297059,1.943485859,5.454742782,0.66431467,0.841669548,2.877865609,0.789339595,0.293843877,0.726541265,0.199275389,0.564048848,0.546786187,0.375083418,3.961049081,3.34919907,7.977747802,0.589811897,1.485918454,2.819854281,0.736226325,0.270610147,0.73689108,0.192392428,0.541468209,0.475235346,0.31811396,3.826690754,3.038362451,7.426853659,0.60533662,1.334817515 +UMLRON0044,L,1-Butene,CCC=C,7844,[9] has RON of 98.8,"Sandia, UML",[1],C4H8,PubChem,,97.5,0,3.1663,10.02545569,38.157,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1674.79369,1290.353741,1097.063862,399.533904,45.72288,0,0,3885.475125,4800.404174,6735.600534,7510.205478,6043.52245,3786.30834,1398.768499,0,0,167.819552,166.665724,297.581032,372.231284,554.716248,234.881856,302.33088,0,0,29.42500648,37.33900896,54.15737825,66.28108257,59.44440754,36.74696223,20.00758072,0,0,3973.037281,3337.521256,6612.996548,7830.731523,14184.45858,5053.044075,8321.294341,0,0,47.59027778,53.20833333,76,108.25,112.25,75,45,0,0,48.76541633,52.3287937,39.87604024,24.81449502,13.5439983,12.107088,1.016064,0,0,161.8947969,208.713225,160.3714413,144.4270284,74.61138827,114.7366164,31.08374443,0,0,6.992481333,7.246335826,7.085262667,7.158293923,6.848348741,7.117632,6.718464,0,0,1.226041937,1.623435172,1.289461387,1.274636203,0.733881575,1.11354431,0.444612905,0,0,165.54322,145.1096198,157.4522988,150.5909908,175.1167726,153.1225477,184.917652,0,0,1.982928241,2.313405797,1.80952381,2.081730769,1.385802469,2.272727273,1,0,0,0.045694943,-0.00805536,0.008393324,-0.050392712,0.051517313,-0.064313591,0.040003554,0,0,645.6853813,-53.80711511,242.132018,-995.4316296,766.7513903,-887.8173993,605.330045,0,0,1200.679538,-100.0566282,450.2548269,-1851.047622,1425.806952,-1650.934365,1125.637067,0,0,0.126485333,-0.010540444,0.047432,-0.194998222,0.150201333,-0.173917333,0.11858,0,0,5.367596186,-0.447299682,2.01284857,-8.27504412,6.374020471,-7.380444756,5.032121424,0,0,29.15686767,-2.429738973,10.93382538,-44.95017099,34.62378036,-40.09069305,27.33456344,0,0,6.464988426,-2.938958816,4.194372106,-8.817081404,9.859483507,-9.827727141,4.297417535,0,0,0.001903956,-3.50E-04,2.00E-04,-9.69E-04,6.36E-04,-0.001948897,8.89E-04,0,0,26.90355756,-2.339439787,5.765048048,-19.14291595,9.466066547,-26.90355756,13.45177878,0,0,50.0283141,-4.350288182,10.72035302,-35.59706965,17.60255496,-50.0283141,25.01415705,0,0,0.005270222,-4.58E-04,0.001129333,-0.003749966,0.001854337,-0.005270222,0.002635111,0,0,0.223649841,-0.019447812,0.047924966,-0.159135464,0.078691611,-0.223649841,0.111824921,0,0,1.214869486,-0.105640825,0.260329176,-0.864426365,0.427454079,-1.214869486,0.607434743,0,0,0.269374518,-0.127780818,0.099866003,-0.169559258,0.121722019,-0.297809913,0.095498167,0,0,-0.183950175,0.104960961,-0.508987935,0.334049855,-1.023603878,0.466905689,0,0,-0.086956522,0.214285714,-0.711538462,0.351851852,-1,0.5,0,0,-0.086956522,0.214285714,-0.711538462,0.351851852,-1,0.5,0,0,-0.086956522,0.214285714,-0.711538462,0.351851852,-1,0.5,0,0,-0.086956522,0.214285714,-0.711538462,0.351851852,-1,0.5,0,0,-0.086956522,0.214285714,-0.711538462,0.351851852,-1,0.5,0,0,-0.474361195,0.370732924,-0.629455448,0.451869091,-1.105560822,0.354518194,0,0,1.509126189,0.874871905,1.640375021,0.417348028,2.46294679,0.092523161,0,0,1.5,0.924107143,1.948918269,0.372685185,2.15625,0,0,0,1.5,0.924107143,1.948918269,0.372685185,2.15625,0,0,0,1.5,0.924107143,1.948918269,0.372685185,2.15625,0,0,0,1.5,0.924107143,1.948918269,0.372685185,2.15625,0,0,0,1.5,0.924107143,1.948918269,0.372685185,2.15625,0,0,0,1.869041758,0.348233068,1.897114567,0.160587209,3.23420392,0,0,0,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,49.38217786,24.4515056,38.12820114,49.02280286,6.127850358,24.4515056,-0.479166667,0.047167883,0.005895985,-2.443233646,24.13005029,3.016256286,2.546766371,0,11.89,12.11011416,-0.157663215,0.06393858,5.956422937,8.994597207,7,23,22,22,6,1,1,0,0,1,17.491312,3.610670307,3.211917666,2.333552793,2.333552793,2.256677967,2.079746185,0.52987105,0.387029567,1.939401255,1.662868225,1.249629723,1.249629723,1.154114088,0.983836891,0.083923071,0.083923071,3.631157042,3.240456119,2.405454588,2.405454588,2.32661669,2.147221647,0.620760598,0.507406576,1.887974042,1.594388963,1.134540686,1.134540686,1.041028853,0.866571206,0.270913902,0.270913902,3.724077235,3.370020408,2.704236987,2.704236987,2.618578049,2.435540579,0.970133649,0.96148215,1.743193029,1.396566423,0.76031856,0.76031856,0.673552967,0.490845944,0.943918427,0.943918427,3.64639981,3.26171786,2.457539916,2.457539916,2.377370979,2.19660799,0.685161021,0.591961865,1.855794442,1.551021429,1.058262671,1.058262671,0.966078727,0.789215945,0.399277246,0.399277246,3.771044676,3.435106011,2.838982085,2.838982085,2.750724254,2.568931756,1.207644823,1.207644823,1.700088386,1.336624416,0.631337262,0.631337262,0.547183156,0.364153036,1.110382943,1.142438647,3.629789626,3.318148699,2.534091447,2.529754755,2.529754755,2.230317096,0.651809066,0.569766724,1.921925189,1.484793163,0.972997998,0.972997998,0.893857215,0.633347091,0.518918919,0.518918919,0,0,1,0,1,4,1,0,1,0,0,0,0,0,0,0,0,0,0,1.968908462,0.353553391,0,0,1.810660172,0.353553391,0,0,0.816496581,2.041241452,1.020620726,0.655330086,1.457106781,0.676776695,6.78445705,3.416502219,4.158631167,1.020620726,1.224744871,0,0,0,0.848057131,0.488071746,0.415863117,0.204124145,0.204124145,0,0,0,6.414213562,3.060660172,3.694543648,0.832106781,0.905330086,0,0,0,0.801776695,0.437237167,0.369454365,0.166421356,0.150888348,0,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,4,1,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.115949074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348819444,0,0,0,0.967152778,0.580555556,0,0.348819444,0,0,0,0,0,0,0,0,8.746319444,3.840486111,1.131944444,0,0,0,0,0,0,1.275462963,0,0,0.422453704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.275462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348819444,0,0,0,0.225625,0.290277778,0,0.348819444,0,0,0,0,0,0,0,0,2.074652778,3.840486111,1.131944444,0,0,0,0,0,0,1.275462963,0,0,0.422453704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.840486111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348819444,0,0,0,0.290277778,0.290277778,0,0.348819444,0,0,0,0,0,0,0,0,2.223888889,3.840486111,1.131944444,0,0,0,0,0,0,1.275462963,0,0,0.422453704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.41666667,1.927083333,0.348819444,3.840486111,0.043402778,0.422453704,5.468942685,0.827546296,0.840486111,3.173611111,0.827546296,0.840486111,3.173611111,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.625,0.125,0.125,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,8.28712,1.03589,9.73928,1.45216,0.18152,2.87519,0.3594,3.41649,0.5413,0.06766,0.49751,0.06219,0.49751,0.06219,0,7,0,0,0,0,0,0,0.75,0.918295834,2.082551817,2.833333333,2.833333333,2.642293229,1.961466146,22.03910002,49.98124361,68,68,63.4150375,47.0751875,0.200284263,0.45421349,0.617962161,0.617962161,0.576295494,0.427804185,3.666666667,2.502410684,1.751629167,1.751629167,1.942669272,2.623496355,0.200284263,0.45421349,0.617962161,0.617962161,0.576295494,0.427804185,6.73287657,16.72064472,17.47730113,17.47730113,15.18481988,10.2987728,31.59900002,19.42915877,19.57694219,19.57694219,18.43070156,15.54072656,8,2.52,7.2,8,2,5,2.34,1.1928,3.298769777,2.5,2.58640929,3.221970075,0,1,1,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.155,0.135,0.064,0.154,3.224,10,5,6,0,0,0,0,0,0,36,2.197224577,2.564949357,1.945910149,2.302585093,0,0,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,2,4,1,4,0.666666667,0.75,0,0,0,0,0,0,0,0.571428571,0.066666667,0.15,0,0,0,0,0,0,0,0.788095238,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,0,144.287877,4,3.555348061,4.17438727,5.056245805,5.686975356,6.577861358,7.211556733,8.105005538,8.739536423,9.633841843,73.74075839,2.708050201,0,4.007333185,0,5.416100402,0,6.882437471,0,8.379079889,8.635687085,112.1252005,4.671883355,14.27908074,1.784885093,0,0,0,66,5,3.995,34,1.226391304,2.122827541,3.001081423,3.466999628,4.267526705,4.641581648,0,0,0,0,74.73814722,97.23810673,77.48127974,51.73940796,51.66732135,4.716144016,0,0,0,0,280.6431588,375.4189098,440.4722741,273.5326822,489.6415744,144.2777377,0,0,0,0,8.920641989,15.11613074,21.49225756,23.78171194,30.37468463,31.18429921,0,0,0,0,2.124868553,2.947816891,3.86345699,2.63867727,4.75208008,2.0637071,0,0,0,0,175.8569114,328.8841386,451.3359847,604.2908036,653.4545614,858.3103801,0,0,0,0,2.884896739,4.074284291,6.268878606,4.892084028,9.501570859,4.641581648,0,0,0,0,0.4404825,0.616488906,0.820669503,0.574353434,1.024206409,0.475297961,0,0,0,0,378.5082459,175.4856545,11.28326625,174.4771183,-80.89184748,-11.66436902,204.0311276,256.377502,22.94763527,0.68448149,0.317342313,0.020404276,0.31551851,-0.146282077,-0.02109345,209.3095202,97.04099855,6.239481095,96.4832928,-44.73200774,-6.45022535,0.115248115,0.215030286,1.708181319,8.094607765,552.9853642,0,1,0,457.3961477,21.38682182,7.704849633,612.8133496,24.75506715,8.493944243,831.5107869,28.83592875,9.403494954,1.568682102,1.568682102,395.9470608,360.8314307,150.0026356,1.097318657,2.639600692,2.405500604,3.945557205,3.480903102,6.533428096,0.876934779,4.625737202,5.969182007,4.833867253,20.01946838,1.938096873,11.40167649,6.391314562,6.214192258,6.435939819,0.716710377,3.023401943,1.788546757,7.03E-10,5.33E-41,7.79E-94,2.20E-168,1.19E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,0.388216777,5.863019005,0.300572887,10.16693754,0.81919738,0.447997192,0.312378409,0.367137864,1.037611936,0.012675959,0.057447806,0.012596881,4.95E-12,3.75E-43,5.49E-96,1.55E-170,8.41E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.253185036,5.870113599,1.039539364,11.94517149,0.946779649,1.781373764,0.887242419,1.235825554,1.634041975,0.072200573,0.314786545,0.131269213,5.16E-11,3.91E-42,5.72E-95,1.61E-169,8.77E-266,0,0,0,0,0,0,0,0,0,0,0,0,0,4.366319238,5.957526442,4.490408725,19.33391911,1.833935773,10.41182446,5.783566037,5.74132895,5.926634641,0.643828447,2.718690692,1.593562961,6.26E-10,4.75E-41,6.94E-94,1.96E-168,1.06E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,1.84695863,5.879311595,1.602155443,13.23501954,1.064293147,2.964666772,1.479610736,1.928598429,2.193561093,0.138058273,0.594792412,0.285134271,1.12E-10,8.49E-42,1.24E-94,3.50E-169,1.90E-265,0,0,0,0,0,0,0,0,0,0,0,0,0,5.586245157,6.018191959,6.180402123,22.65129007,2.364251059,15.4291665,8.90904037,8.095464862,8.52470821,1.020373953,4.291424123,2.608427355,1.03E-09,7.77E-41,1.14E-93,3.20E-168,1.74E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,2.610296131,4.087026154,1.905552413,14.90293494,1.149313142,4.098193008,2.063288755,2.549292647,2.928322062,0.219711424,0.940762809,0.481614227,1.89E-10,1.43E-41,2.10E-94,5.92E-169,3.22E-265,0,0,0,0,0,0,0,0,0,0,0,0,0,3.498140359,1.4237705,0.969412012,0.593778415,0.241672462,0.486935862,0.535861851,0.404148783,5.89132287,9.751908555,20.4714355,0.390667623,1.426946496,2.711650873,0.825400572,0.512235797,0.669661279,0.203838484,0.292814365,0.182216045,0.112840326,4.049287242,4.050002546,9.245775016,0.504491919,0.587870735,3.023774367,1.063298286,0.69381135,0.632471812,0.222406209,0.363940278,0.301069596,0.207017606,4.780884003,6.050831496,13.06243978,0.448707718,0.87202748,3.478645727,1.408979914,0.958093617,0.595075742,0.241027639,0.481526317,0.524950372,0.394766577,5.845719258,9.584144886,20.12580859,0.392613614,1.401243266,3.163008678,1.169231066,0.774747048,0.619349297,0.228947345,0.398175733,0.363289589,0.258133483,5.106986792,7.054677961,15.02690247,0.429023945,1.019598805,3.559179767,1.470068952,1.004846885,0.589844775,0.243627057,0.504070663,0.570717314,0.434234438,6.034095604,10.28586458,21.57755992,0.384767163,1.509022415,3.482104661,1.412405141,0.9578763,0.594988882,0.241338339,0.482501108,0.528309592,0.394587513,5.852386102,9.606477463,20.16983573,0.392483322,1.405398213 +UMLRON0045,L,"2,4,4-Trimethyl-1-Pentene",CC(=C)CC(C)(C)C,7868,"Sandia MON averaged between two sources one being [9], I think because one of those averaged values matched UML mon value we should ue that sensitivity","Sandia, UML","[1], [9]",C8H16,PubChem,,106,0,3.1124,9.68703376,39.2295,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1663.702666,1254.032477,1099.01031,435.855168,54.867456,0,0,3885.475125,4800.404174,6651.947662,7165.995629,5847.421622,4130.518189,1678.522199,0,0,167.819552,166.665724,297.181864,350.878388,494.64924,256.234752,362.797056,0,0,29.42500648,37.33900896,53.48844684,62.94044964,56.1118228,40.08759516,24.00909686,0,0,3973.037281,3337.521256,6644.791652,7371.36388,12488.40461,5512.411718,9985.553209,0,0,44.34027778,52,77.25,103,97.5,72,54,0,0,48.76541633,52.3287937,39.61196824,25.59249953,15.26403208,12.107088,1.016064,0,0,161.8947969,208.713225,158.3797062,146.2448088,81.21418919,114.7366164,31.08374443,0,0,6.992481333,7.246335826,7.075758667,7.160783429,6.870128333,7.117632,6.718464,0,0,1.226041937,1.623435172,1.273534449,1.284498972,0.779330872,1.11354431,0.444612905,0,0,165.54322,145.1096198,158.2093251,150.4359975,173.450064,153.1225477,184.917652,0,0,1.847511574,2.260869565,1.839285714,2.102040816,1.354166667,2,1,0,0,0.039438195,-0.005821201,0.020418294,-0.061448704,0.038695793,-0.046791997,0.035228717,0,0,645.6853813,-53.80711511,282.4873543,-914.7209569,605.330045,-968.528072,726.396054,0,0,1200.679538,-100.0566282,525.297298,-1700.962679,1125.637067,-1801.019308,1350.764481,0,0,0.126485333,-0.010540444,0.055337333,-0.179187556,0.11858,-0.189728,0.142296,0,0,5.367596186,-0.447299682,2.348323331,-7.604094597,5.032121424,-8.051394279,6.038545709,0,0,29.15686767,-2.429738973,12.75612961,-41.30556253,27.33456344,-43.73530151,32.80147613,0,0,4.513599537,-2.582766686,5.137948495,-8.272268036,6.360243056,-7.384982639,4.485026042,0,0,0.001643258,-2.53E-04,4.86E-04,-0.001254055,5.37E-04,-0.001299778,6.52E-04,0,0,26.90355756,-2.339439787,6.725889389,-18.66777463,8.407361736,-26.90355756,13.45177878,0,0,50.0283141,-4.350288182,12.50707852,-34.71352407,15.63384816,-50.0283141,25.01415705,0,0,0.005270222,-4.58E-04,0.001317556,-0.003656889,0.001646944,-0.005270222,0.002635111,0,0,0.223649841,-0.019447812,0.05591246,-0.155185604,0.069890575,-0.223649841,0.111824921,0,0,1.214869486,-0.105640825,0.303717372,-0.842970664,0.379646714,-1.214869486,0.607434743,0,0,0.188066647,-0.112294204,0.122332107,-0.168821797,0.088336709,-0.205138407,0.083056038,0,0,-0.154020659,0.295845097,-0.763151672,0.327058518,-0.790975967,0.397006195,0,0,-0.086956522,0.25,-0.693877551,0.3125,-1,0.5,0,0,-0.086956522,0.25,-0.693877551,0.3125,-1,0.5,0,0,-0.086956522,0.25,-0.693877551,0.3125,-1,0.5,0,0,-0.086956522,0.25,-0.693877551,0.3125,-1,0.5,0,0,-0.086956522,0.25,-0.693877551,0.3125,-1,0.5,0,0,-0.597097919,0.6504721,-0.897670049,0.469709597,-1.09077505,0.441630874,0,0,1.49548127,0.81484193,2.233681592,0.507327567,1.699828658,0.003865837,0,0,1.5,0.872767857,1.93622449,0.44921875,2.15625,0,0,0,1.5,0.872767857,1.93622449,0.44921875,2.15625,0,0,0,1.5,0.872767857,1.93622449,0.44921875,2.15625,0,0,0,1.5,0.872767857,1.93622449,0.44921875,2.15625,0,0,0,1.5,0.872767857,1.93622449,0.44921875,2.15625,0,0,0,2.0585935,0.237176376,2.3636994,0.154817617,2.547855632,0,0,0,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,38.51339261,19.15461297,27.88185843,38.36026761,4.795033452,19.15461299,-0.204166667,0.100468985,0.012558623,-1.838324964,23.30135062,2.912668828,2.51880906,0,11.89,12.11011416,-0.149585895,0.073619716,6.0926875,9.078895313,7,23,22,22,6,1,1,0,0,1,17.491312,3.636381628,3.154776519,2.333552793,2.333552793,2.333552793,2.041566206,0.586636054,0.293902613,1.935388355,1.657005365,1.249629723,1.249629723,1.249629723,0.86910009,0.083923071,0.083923071,3.654187565,3.187392962,2.405454588,2.405454588,2.405454588,2.104520267,0.666603054,0.432521154,1.886862917,1.582665948,1.134540686,1.134540686,1.134540686,0.76295443,0.270913902,0.270913902,3.736376012,3.334211987,2.704236987,2.704236987,2.704236987,2.370836971,0.973746946,0.955639676,1.753573626,1.364004428,0.76031856,0.76031856,0.76031856,0.421478257,0.943918427,0.943918427,3.667509136,3.21163431,2.457539916,2.457539916,2.457539916,2.150438439,0.723235299,0.529946743,1.856795931,1.535235373,1.058262671,1.058262671,1.058262671,0.692900887,0.399277246,0.399277246,3.778804038,3.407069517,2.838982085,2.838982085,2.838982085,2.492774593,1.207644823,1.207644823,1.714933345,1.296585846,0.631337262,0.631337262,0.631337262,0.305274178,1.097028706,1.164050983,3.640767746,3.227818486,2.557155175,2.557155175,2.557155175,2.238146707,0.67242173,0.576478853,1.874452504,1.490716036,0.948216627,0.948216627,0.948216627,0.599403529,0.536312849,0.536312849,0,0,0,1,1,5,0,0,1,0,0,0,0,0,0,0,0,0,0,1.968908462,0.353553391,0,0,1.654700538,0.288675135,0,0,0.816496581,2.041241452,1.020620726,0.577350269,1.443375673,0.721687836,6.78445705,3.416502219,4.158631167,1.020620726,1.224744871,0,0,0,0.848057131,0.488071746,0.415863117,0.204124145,0.204124145,0,0,0,6.577350269,3.077350269,3.58771324,0.721687836,0.866025404,0,0,0,0.822168784,0.439621467,0.358771324,0.144337567,0.144337567,0,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,2,0,1,0,0,0,0,0,0,0,0,5,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.671296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.248611111,0,0,0.730208333,0.580555556,0,0.248611111,0,0,0,0,0,0,0,0,10.88541667,0,0,0,2.270833333,0,0,0,0,1.400462963,0,0,0.359953704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.400462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.248611111,0,0,0.243402778,0.290277778,0,0.248611111,0,0,0,0,0,0,0,0,2.130208333,0,0,0,2.270833333,0,0,0,0,1.400462963,0,0,0.359953704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.270833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.248611111,0,0,0.243402778,0.290277778,0,0.248611111,0,0,0,0,0,0,0,0,2.208333333,0,0,0,2.270833333,0,0,0,0,1.400462963,0,0,0.359953704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.91666667,1.864583333,0.290277778,2.270833333,0.050347222,0.359953704,5.229056713,0.890046296,0.270833333,2.3125,0.890046296,0.270833333,2.3125,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.625,0.125,0.125,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,8.51038,1.0638,9.73928,1.22889,0.15361,2.86803,0.3585,3.41649,0.54846,0.06856,0.49751,0.06219,0.49751,0.06219,0,7,0,0,0,0,0,0,0.75,0.918295834,1.861702233,2.468546354,2.468546354,2.27750625,1.704385937,22.03910002,44.68085358,59.2451125,59.2451125,54.66015,40.90526249,0.200284263,0.406045247,0.538400555,0.538400555,0.496733888,0.371733888,3.666666667,2.723260268,2.116416147,2.116416147,2.307456251,2.880576563,0.200284263,0.406045247,0.538400555,0.538400555,0.496733888,0.371733888,6.73287657,15.5820524,16.1936451,16.1936451,13.90116385,9.123666347,31.59900002,20.32164859,21.74047604,21.74047604,20.59423542,18.11071406,8,2.52,7.2,8,2,5,2.34,1.1928,3.298769777,2.5,2.58640929,3.221970075,0,1,1,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.123,0.124,0.163,3.271,10,5,6,0,0,0,0,0,0,36,2.197224577,2.63905733,2.397895273,2.564949357,0,0,0,0,0,0,3.951243719,1.416666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,6,0.857142857,0,2,4,1,4,0.666666667,0.75,0,0,0,0,0,0,0,0.571428571,0.066666667,0.15,0,0,0,0,0,0,0,0.788095238,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,0,144.287877,4,3.555348061,4.17438727,5.056245805,5.686975356,6.577861358,7.211556733,8.105005538,8.739536423,9.633841843,73.74075839,2.708050201,0,4.007333185,0,5.416100402,0,6.882437471,0,8.379079889,8.635687085,112.1252005,4.671883355,14.27908074,1.784885093,0,0,0,66,5,3.752,34,1.532299407,2.344086391,3.020304406,3.384606464,3.915001136,4.293606309,0,0,0,0,102.9834754,99.97065552,73.75969993,51.96637433,47.39926327,4.362578801,0,0,0,0,373.0827774,395.4979654,433.4387373,272.7546818,449.1939834,133.4613612,0,0,0,0,11.1765132,16.65692113,21.61642643,23.23580944,27.86553736,28.84643942,0,0,0,0,2.776625737,3.145166008,3.834733762,2.61565633,4.359527238,1.908992773,0,0,0,0,217.8091721,365.5370332,455.0672312,588.4512555,599.4749482,793.9635973,0,0,0,0,3.578917866,4.498638191,6.327773687,4.576454372,7.830002271,4.293606309,0,0,0,0,0.573788965,0.659321306,0.81563339,0.568698391,0.939600273,0.439665286,0,0,0,0,346.4533979,151.162127,9.721955598,92.01875417,-40.14898018,-4.926495155,254.4346438,191.3111072,14.64845075,0.790137746,0.344747383,0.022172344,0.209862254,-0.091565633,-0.011235594,151.910167,66.28038316,4.262806794,40.34766118,-17.60420974,-2.160130933,0.13218865,0.183091419,3.374623391,3.477818844,438.4721521,0,1,0,293.7079785,17.13791057,6.647197481,430.8963167,20.75804222,7.55308306,782.9983827,27.98210826,9.216944131,1.233340139,1.04721727,372.5493724,334.6879629,173.8514892,1.113124503,2.14291735,1.925137165,3.953077598,3.620223298,6.584423749,0.818789397,6.535468372,3.553055261,9.120164863,17.28364481,12.21868962,19.9886838,11.01816369,9.224645054,3.773675259,2.299654819,2.876686761,0.490301596,3.16E-08,3.93E-37,9.41E-88,4.35E-160,3.88E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,0.522918327,3.251661371,0.830860367,5.644401523,1.355095328,1.771218104,0.933109466,0.450007889,0.230264109,0.175618397,0.032176749,0.003453234,2.23E-10,2.77E-39,6.63E-90,3.06E-162,2.73E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,1.704885127,3.271801626,2.103109395,7.96069461,3.214195177,4.110737018,2.100374403,1.666273739,0.467280041,0.578365577,0.241747064,0.035985363,2.32E-09,2.88E-38,6.91E-89,3.19E-161,2.85E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,6.151350645,3.519965035,8.464197183,16.55004084,11.42684117,18.38555991,10.08544807,8.48411413,3.384724011,2.158721881,2.571280992,0.436849895,2.81E-08,3.50E-37,8.39E-88,3.88E-160,3.46E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,2.529725572,3.297914055,3.101108278,9.568431287,4.596822751,6.126213153,3.16631347,2.671879458,0.774367625,0.863988186,0.495784373,0.078165017,5.04E-09,6.26E-38,1.50E-88,6.94E-161,6.19E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,7.975888511,3.69219508,11.71753125,20.02375969,15.2945051,26.47826261,14.82960724,12.19739086,5.409109444,2.833843261,4.15651057,0.715058799,4.61E-08,5.73E-37,1.37E-87,6.35E-160,5.66E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,3.523504568,3.153520732,4.235009567,11.1738129,6.098602794,8.51784247,4.754345619,4.00735246,1.262852495,1.257896042,0.872007069,0.14102617,9.09E-09,1.13E-37,2.71E-88,1.25E-160,1.12E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,3.045500904,1.63377395,1.060337972,0.530610861,0.284648808,0.413266055,0.387314648,0.409870512,5.739612826,9.937272852,20.95276696,0.295916292,1.210451215,2.385169389,0.944553678,0.606823536,0.605904014,0.239944747,0.25183844,0.127775988,0.13285241,3.936546603,4.273474844,9.577146643,0.408856021,0.512466838,2.644702421,1.219175832,0.788787729,0.568427313,0.262038117,0.309610479,0.213927155,0.22577348,4.652665981,6.272137025,13.46813646,0.352640969,0.749311114,3.028888819,1.616798959,1.049286209,0.531852968,0.28389927,0.40860361,0.379175968,0.401328523,5.694973987,9.771760406,20.60519839,0.297779452,1.1891081,2.761580506,1.341206403,0.869082954,0.555441028,0.269758952,0.337972744,0.259497464,0.274579833,4.971869863,7.269511624,15.46033392,0.333161541,0.872050041,3.097588989,1.686889972,1.094886154,0.526857735,0.286917029,0.428097817,0.413360886,0.437141273,5.879365115,10.46375157,22.06421633,0.290286603,1.278599975,3.03350605,1.618439638,1.047329692,0.532261708,0.283972879,0.409839747,0.37986715,0.399684879,5.699275379,9.781667276,20.62285641,0.298392563,1.189391776 +UMLRON0046,L,"2,4,4-Trimethyl-2-Pentene",CC(=CC(C)(C)C)C,7869,,"Sandia, UML","[1], [4]",C8H16,PubChem,,103.5,0,0.5918,0.35022724,27.5299,19.895102,0,0,20,6,14,0,6,0,0,0,0,0,0,0,0,0,879.809622,890.819837,974.639069,741.651627,487.49333,160.526016,18.289152,0,0,2976.273833,3723.897138,4754.238025,4583.736898,3354.775021,1843.095563,559.5073998,0,0,139.301592,137.349428,253.958324,314.377068,309.563336,186.188544,120.932352,0,0,22.95798067,29.53412034,41.10612815,43.09479573,34.06119458,20.03172529,8.003032287,0,0,3349.613265,2777.687448,5730.516907,7383.84195,7759.916289,4611.235353,3328.517736,0,0,32.27777778,37.91666667,56.66666667,68.33333333,60,39,18,0,0,43.9904811,46.88525458,27.07330747,16.48114727,10.83318511,5.945408,1.016064,0,0,148.8136916,195.9945862,132.0621674,101.86082,74.55055603,68.26279863,31.08374443,0,0,6.9650796,7.228917263,7.054397889,6.986157067,6.879185244,6.895872,6.718464,0,0,1.147899033,1.554427386,1.141836893,0.957662127,0.756915435,0.741915752,0.444612905,0,0,167.4806632,146.1940762,159.1810252,164.0853767,172.4425842,170.7864946,184.917652,0,0,1.613888889,1.995614035,1.574074074,1.518518519,1.333333333,1.444444444,1,0,0,0.028295987,-0.005572289,-0.004579185,-0.011415774,0.006231682,-0.00836461,0.009552182,0,0,508.4772378,-59.32234441,-92.01016684,-236.0787175,78.69290585,-141.6472305,196.1269346,0,0,945.5351364,-110.3124326,-171.0968342,-438.9984562,146.3328187,-263.3990737,364.7064098,0,0,0.0996072,-0.01162084,-0.01802416,-0.0462462,0.0154154,-0.02774772,0.03841992,0,0,4.226981996,-0.4931479,-0.764882456,-1.962527355,0.654175785,-1.177516413,1.630407341,0,0,22.96103329,-2.678787217,-4.154853643,-10.66047974,3.553493247,-6.396287845,8.856398555,0,0,2.672222222,-1.280277778,0.456666667,-1.320833333,1.295833333,-1.3325,0.845,0,0,0.001414799,-2.93E-04,-1.27E-04,-2.54E-04,1.38E-04,-3.10E-04,5.31E-04,0,0,25.42386189,-3.122228653,-2.555837968,-5.246193723,1.748731241,-5.246193723,10.89594081,0,0,47.27675682,-5.805917504,-4.752689839,-9.755521249,3.251840416,-9.755521249,20.26146721,0,0,0.00498036,-6.12E-04,-5.01E-04,-0.001027693,3.43E-04,-0.001027693,0.00213444,0,0,0.2113491,-0.025955153,-0.021246735,-0.043611719,0.01453724,-0.043611719,0.090578186,0,0,1.148051665,-0.140988801,-0.115412601,-0.23689955,0.078966517,-0.23689955,0.492022142,0,0,0.133611111,-0.067383041,0.012685185,-0.029351852,0.028796296,-0.049351852,0.046944444,0,0,-0.207293275,-0.08990645,-0.179307308,0.097880896,-0.218971228,0.375089785,0,0,-0.122807018,-0.100529101,-0.206349206,0.068783069,-0.206349206,0.428571429,0,0,-0.122807018,-0.100529101,-0.206349206,0.068783069,-0.206349206,0.428571429,0,0,-0.122807018,-0.100529101,-0.206349206,0.068783069,-0.206349206,0.428571429,0,0,-0.122807018,-0.100529101,-0.206349206,0.068783069,-0.206349206,0.428571429,0,0,-0.122807018,-0.100529101,-0.206349206,0.068783069,-0.206349206,0.428571429,0,0,-0.504322136,0.094941095,-0.21968122,0.215523216,-0.369369369,0.351351351,0,0,1.749359878,1.154757971,1.194785797,0.68709533,1.129847428,1.91E-05,0,0,1.666666667,1.256613757,1.206349206,0.703703704,1.005291005,0,0,0,1.666666667,1.256613757,1.206349206,0.703703704,1.005291005,0,0,0,1.666666667,1.256613757,1.206349206,0.703703704,1.005291005,0,0,0,1.666666667,1.256613757,1.206349206,0.703703704,1.005291005,0,0,0,1.666666667,1.256613757,1.206349206,0.703703704,1.005291005,0,0,0,2.11018711,0.757103257,1.237699238,0.53984754,1.58004158,0,0,0,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,27.62178083,13.72524227,21.8568937,27.5075833,4.584597216,13.72524459,-0.171296296,0.063579364,0.010596561,-1.653279794,17.67646965,2.946078274,1.723340614,0,11.89,12.11007471,-0.16472489,0.055946927,5.126994186,7.334600783,5,19,19,19,5,0,0,0,0,0,15.304898,3.473871363,2.995201137,2.333552793,2.214028496,1.445561172,0.972879173,0.083923071,0.083923071,1.901370199,1.610278754,1.249629723,1.12150557,0.669641221,0.379130244,0.083923071,0.083923071,3.502794884,3.038827881,2.405454588,2.283862734,1.54799348,1.097514108,0.270913902,0.270913902,1.839153023,1.525402757,1.134540686,1.006098022,0.525229691,0.220540086,0.270913902,0.270913902,3.629932889,3.227855553,2.704236987,2.577311006,1.962425044,1.586624852,0.943918427,0.943918427,1.655283249,1.264875661,0.76031856,0.632864871,0.038010704,0.326477276,0.943918427,0.943918427,3.524104373,3.070848611,2.457539916,2.334662184,1.621603013,1.186107579,0.399277246,0.399277246,1.799449735,1.470373296,1.058262671,0.929737572,0.428200161,0.113178768,0.399277246,0.399277246,3.691746928,3.317676688,2.838982085,2.710985541,2.142855573,1.79305263,1.207644823,1.207644823,1.597738071,1.180490847,0.631337262,0.50529439,0.136884521,0.528545542,1.207644823,1.207644823,3.511109125,3.147375139,2.627181624,2.422748981,1.697709915,1.269682936,0.580645161,0.580645161,1.799116918,1.379057509,0.88524614,0.813837494,0.317232616,0.002553925,0.580645161,0.580645161,0,0,0,0,0,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.288675135,0,0.288675135,0.288675135,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,9.792794627,19.21485798,18.07843137,18.32,11.58988144,154.455091,0.489639731,0.960742899,0.903921569,0.916,0.579494072,7.722754551,2.4425,29.746,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,6.729166667,0,2.706018519,0,0,0,0.898148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.222222222,0,1.331018519,0,0,0,0.898148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.253472222,0,1.375,0,0,0,0.898148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.33333333,1.722222222,0.2,2.253472222,0.2,0.898148148,4.593013889,0.435185185,0.253472222,1.458333333,0.435185185,0.253472222,1.458333333,3,0.5,0,0,0.42,0.7,0.42,0.42,0.7,0,0,0,0,0.71429,0,0,0.5,0.16667,0,2.5,0.41667,2.5,0.41667,0,0,-2.5,-0.41667,0,0,5.69868,0.94978,5.69868,0,0,2.77005,0.46167,2.77005,0,0,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,1,0.881290899,1.319035274,2.395461844,2.90869497,2.63034294,2.028212946,17.62581798,26.38070549,47.90923688,58.17389939,52.6068588,40.56425892,0.203911514,0.305196025,0.554257681,0.673008645,0.608604049,0.469284287,3.440637196,3.002892821,1.926466251,1.413233125,1.691585155,2.293715149,0.207463733,0.310512661,0.56391307,0.684732722,0.619206173,0.477459406,6.616095946,11.86902845,15.56720586,14.98523755,13.42855542,8.070974753,23.80204551,17.71551634,15.91187884,16.46882451,14.18890078,10.52154675,6,3.2,5.333333333,6,0,5,2.12,0.954,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,2.54,5,3,2,0,0,0,0,0,0,21,1.791759469,1.791759469,1.386294361,1.098612289,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,112.3323665,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,86.10955045,4.305477522,10.67917749,1.779862916,0,0,0,32,3,3.693,20,1.220894737,2.103173734,2.866227449,3.481606509,4.458488244,5.352201744,0,0,0,0,67.74862772,64.92246437,53.73170424,46.30289634,29.20798765,5.438179512,0,0,0,0,263.8372191,301.2768942,310.6084069,288.867083,324.7167879,166.3664711,0,0,0,0,8.859366903,14.89288075,20.06662049,24.03635565,30.84235415,35.95857474,0,0,0,0,2.030985313,2.547295132,2.859045839,2.828771283,3.470694886,2.379657965,0,0,0,0,176.3944505,330.6965185,467.2285651,593.9267762,753.7080676,989.7165796,0,0,0,0,2.492653509,3.434273209,4.446910857,4.851021523,6.683519787,5.352201744,0,0,0,0,0.422269342,0.539354181,0.61427093,0.615416415,0.762713537,0.548065459,0,0,0,0,357.6913985,122.5615197,8.611633058,141.5189316,-48.49089298,-8.604111353,216.1724669,171.0524127,17.21574441,0.716514417,0.245510784,0.017250511,0.283485583,-0.097135195,-0.017235443,178.5632411,61.18397672,4.299016181,70.64771253,-24.20715469,-4.295261268,0.08576595,0.190164208,1.485600379,12.37944435,499.21033,0,1,0,310.4078457,17.6183951,6.770866172,446.0263509,21.11933595,7.640471717,476.928456,21.83869172,7.812998576,1.463026135,1.205835205,323.3377633,278.6229185,74.98855203,1.160485164,4.311828333,3.715539385,3.714259789,3.220218461,6.42424645,0.994972244,3.904607748,4.742676419,2.30750979,14.59537325,5.371323117,3.184223797,4.445472319,8.803563869,2.930492366,5.567213732,0.884220332,1.126710553,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,4.742376741,0.1403447,5.318846764,0.537063159,0.090119943,0.321566196,0.420332872,0.999042645,0.076317739,0.006228704,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,4.742397317,0.488176359,6.485060806,0.870514822,0.407570523,0.873592172,1.52653453,1.210010517,0.50393807,0.064899514,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,4.742643712,2.141394874,13.77016824,4.844248848,2.883679025,4.090505371,8.076321457,2.74741123,4.985837849,0.787825132,1.003878818,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,4.742423496,0.755020674,7.501587376,1.293404312,0.718759713,1.338573823,2.465542683,1.409253625,1.003308067,0.140967789,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,4.742813825,2.960530141,17.94288387,7.585266227,4.423180983,5.876141169,11.73922679,3.681979415,7.998223977,1.289548769,1.643201451,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.382118359,4.023965691,1.05304845,9.292171182,2.165270721,1.36795853,2.00598993,3.755213295,2.153185928,2.03970989,0.298118512,0.379869115,2.71E-15,3.72E-51,9.85E-109,5.04E-188,4.96E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.784053,1.195212013,0.567671482,0.682187907,0.215472453,0.538948546,0.48479583,0.436924265,5.546936495,7.349332354,15.46370255,0.523281861,1.460668642,3.059953094,0.695064126,0.176669504,0.778279988,0.176785226,0.3523128,0.163802889,0.042274796,3.931686723,2.790260649,7.097699312,0.667419981,0.558390485,3.361802645,0.903567819,0.339682601,0.730024735,0.196212249,0.425303854,0.276926578,0.156365311,4.605053064,4.486488816,10.12336742,0.595037103,0.858595742,3.767499191,1.183779004,0.558734364,0.6837551,0.214841435,0.534239732,0.475556057,0.423268722,5.510012559,7.226335713,15.22824009,0.525632651,1.433064511,3.490086016,0.992175046,0.408952949,0.713541875,0.202848422,0.458406686,0.333956694,0.22668288,4.891214011,5.295810132,11.6031367,0.570312812,1.01904626,3.83546565,1.230720263,0.595427855,0.677450954,0.217379764,0.553705058,0.514060201,0.48071748,5.661613768,7.736933505,16.20919616,0.516176431,1.548482739,3.779791872,1.187105812,0.559071711,0.684005213,0.214823088,0.537745022,0.47831075,0.423714629,5.525969396,7.263864888,15.29839626,0.526007819,1.4397704 +UMLRON0047,L,2-Methylpentane,CCCC(C)C,7892,,"Sandia, UML",[1],C6H14,PubChem,,73.4,0,-0.4558,0.20775364,24.1299,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,890.291353,994.748085,716.772887,477.731566,127.119888,9.144576,0,0,2644.81273,3144.163273,3730.992294,3247.508299,2181.171529,1120.963057,279.7536999,0,0,118.238936,111.372268,196.083876,225.06698,174.07936,111.43008,60.466176,0,0,19.03383305,23.6303831,30.19190358,27.3996407,19.44148531,10.95324725,4.001516144,0,0,2668.599586,2191.74623,4310.126609,5019.500517,4094.498444,2583.794029,1664.258868,0,0,74.27777778,40.75,63.83333333,82.16666667,57.5,39,9,0,0,61.71557788,59.35275687,36.84252167,23.89242957,19.90548192,8.4746592,1.016064,0,0,165.3007956,209.6108849,138.1848998,108.2502766,90.88214705,74.73087045,31.08374443,0,0,7.3899335,7.424817867,7.262365778,7.502232667,7.253306667,7.428672,6.718464,0,0,1.189614566,1.575358873,1.118218651,0.913321357,0.810061888,0.730216483,0.444612905,0,0,166.7874742,146.1164153,159.6343189,167.3166839,170.6041018,172.2529352,184.917652,0,0,4.642361111,2.716666667,2.364197531,2.738888889,2.395833333,2.6,1,0,0,0.121454569,-0.043193133,0.010656547,-0.031482461,0.019033133,-0.022148813,0.006407442,0,0,523.7576238,-43.92541314,19.66342755,-230.5705662,19.12723312,-198.4686508,172.2951575,0,0,766.4429154,-94.95499335,-135.8422519,-212.6341937,13.9033117,-202.6791246,248.9857942,0,0,1.03666,-0.00156025,0.12109675,-0.4250675,-0.05685,-0.27394125,0.11799225,0,0,3.391946473,-0.464107523,-1.103534916,-0.493834691,-0.053678424,-0.513699117,0.932881435,0,0,18.82152525,-2.587911668,-6.817934048,-2.057802336,-0.526885346,-2.209029454,4.788800225,0,0,33.10416667,-0.858072917,4.178385417,-13.8828125,-0.25,-9.024739583,3.28515625,0,0,0.007590911,-0.002879542,3.95E-04,-0.001049415,7.93E-04,-0.001476588,7.12E-04,0,0,32.73485148,-2.928360876,0.728275094,-7.685685539,0.796968047,-13.23124338,19.14390639,0,0,47.90268221,-6.33033289,-5.031194516,-7.087806457,0.579304654,-13.51194164,27.66508825,0,0,0.06479125,-1.04E-04,0.004485065,-0.014168917,-0.00236875,-0.01826275,0.01311025,0,0,0.211996655,-0.030940502,-0.040871664,-0.016461156,-0.002236601,-0.034246608,0.103653493,0,0,1.176345328,-0.172527445,-0.252516076,-0.068593411,-0.021953556,-0.14726863,0.532088914,0,0,2.069010417,-0.057204861,0.154755015,-0.462760417,-0.010416667,-0.601649306,0.365017361,0,0,-0.379340816,0.051994674,-0.138246309,0.104473267,-0.194520475,0.093788227,0,0,-0.089456978,0.022247698,-0.234786021,0.024346164,-0.404194392,0.584817267,0,0,-0.132149863,-0.105029495,-0.147962622,0.012093366,-0.282070669,0.577526914,0,0,-0.001605412,0.06922331,-0.218685651,-0.036559721,-0.281870623,0.202345996,0,0,-0.145948065,-0.192793908,-0.077648189,-0.010550171,-0.161543152,0.488939285,0,0,-0.146663943,-0.21466152,-0.058310608,-0.01866251,-0.125191665,0.452323736,0,0,-0.027648416,0.074796634,-0.223662681,-0.005034613,-0.290790854,0.176421229,0,0,1.076669604,0.71134427,1.441396391,0.843171933,1.408745647,0.003828651,0,0,1.170927332,0.915782169,1.237378961,0.855531925,1.337055762,0,0,0,1.491123972,1.167254118,1.028522109,0.816418639,1.044504574,0,0,0,0.512040592,0.530805128,1.627408215,0.985701677,1.700571065,0,0,0,1.594610489,1.277272841,0.952397111,0.814556278,0.898214131,0,0,0,1.599979575,1.293653979,0.94524565,0.818462086,0.871412624,0,0,0,0.541220894,0.518145584,1.63876652,0.954216488,1.721837634,0,0,0,19.84869454,10.04934727,16.04478306,20.0153612,3.335893534,10.04946897,0.25,0.145135574,0.024189262,-1.15805219,27.35389766,4.558982943,1.985315417,19.85036888,10.04981723,16.04540607,20.01654593,3.336090989,10.04993885,0.249265579,0.145112873,0.024185479,-1.158146043,27.3472863,4.557881049,1.985170382,21.33863364,10.46981958,16.63031234,21.07263732,3.51210622,10.4698898,-0.398994478,0.12232631,0.020387718,-1.260637878,23.03690567,3.839484278,1.882258514,19.85212614,10.05031047,16.04606002,20.01778934,3.336298224,10.050432,0.2484948,0.145089042,0.024181507,-1.158244585,27.34035322,4.556725537,1.98501825,22.92527446,10.9214901,17.34527551,22.20374495,3.700624158,10.92153228,-1.082294264,0.090382996,0.015063833,-1.442219477,20.70991669,3.451652782,1.818367592,20.02409351,10.09861385,16.1104278,20.1395163,3.35658605,10.09872726,0.173134186,0.142726626,0.023787771,-1.168094512,26.68900312,4.448167187,1.970550968,22.01238989,11.08688214,18.18853627,22.2350354,3.705839233,11.08693252,0.667936508,0.189107237,0.031517873,-0.99926462,46.65332405,7.775554009,2.305646508,0,11.89,15.99491589,-0.299494891,0.191074243,3.958059471,6.545506816,5,15,14,14,4,1,1,0,0,1,11.89007,3.513617914,2.995054802,2.243611616,1.952483458,1.332142786,0.083923071,0.083923071,0.083923071,1.827144974,1.522159866,1.138252891,0.677479591,0.204151997,0.083923071,0.083923071,0.083923071,3.472090895,2.98933329,2.30767854,1.820712504,1.385331191,0.270913902,0.270913902,0.270913902,1.790675693,1.463585996,1.027058745,0.579702946,0.315668329,0.270913902,0.270913902,0.270913902,3.621651732,3.196376987,2.604042724,2.222194235,1.848806117,0.943918427,0.943918427,0.943918427,1.596730793,1.19210608,0.65466726,0.128065661,0.184834489,0.943918427,0.943918427,0.943918427,3.474545379,3.005356509,2.35732026,1.812352255,1.426573966,0.399277246,0.399277246,0.399277246,1.771859608,1.425885195,0.953681105,0.549214971,0.298158986,0.399277246,0.399277246,0.399277246,3.659745852,3.268622823,2.735145633,2.29559102,2.001683896,1.207644823,1.207644823,1.207644823,1.553950198,1.120679461,0.528591107,0.027361458,0.309758365,1.207644823,1.207644823,1.207644823,4.768705223,3.280342642,2.816953504,2.424657776,1.650623634,0.576923077,0.576923077,0.576923077,1.675474914,1.218219242,0.828853611,0.313741666,0.4411605,0.576923077,0.576923077,0.576923077,0,0,0,1,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.144337567,0,0,0,0.288675135,0.288675135,0,0.102062073,0.102062073,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.322461853,2.264784317,1.452015103,0.602062073,0.352062073,0,0,0,0.720410309,0.452956863,0.290403021,0.200687358,0.176031036,0,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,1.3755,25.589,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,2,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.972916667,0.802777778,0,0,0,0,0,0,0,0,0,0,3.615972222,0,1.717592593,0,0,0,0,0,0,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.265625,0.401388889,0,0,0,0,0,0,0,0,0,0,1.614583333,0,0.736111111,0,0,0,0,0,0,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.001388889,0,0.981481481,0,0,0,0,0,0,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.66666667,2.611111111,0.594097222,10.04375,0.265625,0.289351852,2.349181019,1.377314815,3.04375,6.090277778,1.377314815,3.04375,6.090277778,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.42,0.49792,0.82778,0.07792,0,-0.07792,0,0.57047,0.14382,0,0.47059,0.17647,0,4.25,0.70833,2.75,0.45833,1.5,0.25,-1.25,-0.20833,0,0,4.00539,0.66756,5.69868,1.6933,0.28222,2.02767,0.33795,2.77005,0.74238,0.12373,0.14395,0.02399,0.14395,0.02399,0,5.01,1,1,1,1,0,0,0.8,1.198192411,1.923794941,3.155639062,3.155639062,2.905639062,1.905639062,19.17107858,30.78071905,50.490225,50.490225,46.490225,30.490225,0.299548103,0.480948735,0.788909766,0.788909766,0.726409766,0.476409766,2.801807589,2.076205059,0.844360938,0.844360938,1.094360938,2.094360938,0.299548103,0.480948735,0.788909766,0.788909766,0.726409766,0.476409766,10.71860945,19.4258398,20.66732315,20.66732315,17.66732315,9.789388759,21.96987352,13.73794941,13.71691719,13.71691719,12.21691719,9.966917187,6,3.2,5.333333333,6,1,5,1.9,0.8288,0.25,2.149139864,1.154700538,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,2.889,5,3,2,0,0,0,0,0,0,21,1.945910149,2.079441542,1.609437912,1.386294361,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,17.07,101.1901498,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,86.07316494,5.379572809,10.67917749,1.779862916,2.347570326,2.347570326,0,32,3,1.007,20,1.2268,2.113364829,2.896846543,3.596214336,4.937497236,5.820562243,0,0,0,0,82.78024119,88.02694618,76.67620692,85.98988054,43.21387058,5.914063755,0,0,0,0,280.7281514,316.1513677,335.6752916,370.9628544,383.0039444,180.9248692,0,0,0,0,9.137724337,15.4572796,21.78617485,26.07020108,36.59923608,39.10523789,0,0,0,0,2.061570699,2.496831577,2.779517058,3.213775422,3.736094519,2.587897087,0,0,0,0,177.2249115,333.5272639,481.6109711,602.3507378,844.0222224,1076.324703,0,0,0,0,3.395038889,5.309415515,8.049055351,8.752170784,12.6899337,5.820562243,0,0,0,0,0.444136,0.564662815,0.65641917,0.747552038,0.900452847,0.596025574,0,0,0,0,332.9460549,139.6485682,11.64907859,183.6545531,-77.03078325,-20.29632305,149.2915018,216.6793515,31.94540164,0.644494121,0.270322114,0.022549487,0.355505879,-0.149110903,-0.039288229,172.0001344,72.14253524,6.017921083,94.87605379,-39.79414946,-10.48509283,0.308901391,0.714009424,7.800769341,30.39959571,474.0247053,42.57590266,0.91758449,0.08241551,382.2140291,19.55029486,7.257196369,479.08439,21.88799648,7.824753652,582.7530733,24.14027906,8.352725147,1.656069001,1.452219181,315.9669092,269.5052394,59.86183295,1.172396165,5.278269869,4.502121403,3.544697262,3.285516602,6.459304838,0.965993669,2.80222057,3.881220796,1.659208075,9.116828954,3.023478043,0.137325654,1.998056806,7.579451155,2.085600173,1.105747281,0.045295356,1.694936254,4.02E-13,1.84E-47,1.62E-103,2.77E-181,9.08E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,0.251664719,3.88108081,0.108734846,3.337172573,0.110200318,0.002843412,0.358811407,0.358102133,0.886687385,0.013053462,3.67E-04,0.011937575,2.83E-15,1.30E-49,1.14E-105,1.95E-183,6.40E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765026468,3.88097264,0.371109428,3.589299283,0.342752115,0.014492837,0.66344821,1.23111329,1.121989236,0.09468392,0.00344879,0.124398732,2.95E-14,1.35E-48,1.19E-104,2.03E-182,6.67E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650178473,3.881263869,1.545147685,9.009618661,2.966716283,0.124042604,1.912250385,7.17548485,2.00890587,0.988826592,0.040390678,1.510157688,3.58E-13,1.64E-47,1.45E-103,2.46E-181,8.09E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,1.11993283,3.88094414,0.567287792,3.973984989,0.546604501,0.027044658,0.882765729,1.945293964,1.286305134,0.192708715,0.007372114,0.270210668,6.41E-14,2.93E-48,2.59E-104,4.41E-182,1.45E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,3.384110175,3.881356617,2.103259019,11.74455305,4.367864151,0.194991506,2.388236595,10.30949408,2.373489365,1.595453589,0.065901129,2.471905234,5.86E-13,2.68E-47,2.37E-103,4.03E-181,1.32E-280,0,0,0,0,0,0,0,0,0,0,0,0,0,1.722243656,3.584119896,0.817405473,8.375145509,2.503703049,0.052386787,1.387716089,4.538667569,1.886527065,0.390833769,0.015285688,0.564142984,1.34E-13,6.13E-48,5.41E-104,9.21E-182,3.02E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,4.298308944,0.76307367,0.415503769,0.784808857,0.139326182,0.571478487,0.435097948,0.499980711,5.476886383,5.382949933,12.22265809,0.677213286,1.506557147,3.146876468,0.705610871,0.077800227,0.800673339,0.179531614,0.318767766,0.338503802,0.017529319,3.930287567,2.520194637,6.623235294,0.701010008,0.674800888,3.661752897,0.616844975,0.21380166,0.815099563,0.137308574,0.415474893,0.28634611,0.13238094,4.492399532,3.173505204,8.148825789,0.722649345,0.834201944,4.210494886,0.806288475,0.397925649,0.777603169,0.148907074,0.548365433,0.488232146,0.458571628,5.414709011,5.391180277,12.15679653,0.666404754,1.495169208,3.912083873,0.59247624,0.280208577,0.817611911,0.123825472,0.473344335,0.263103145,0.227387279,4.78476869,3.580033123,9.014273944,0.726417867,0.963834759,4.362984672,0.797203455,0.439055472,0.779209655,0.142376991,0.588812263,0.474806345,0.558267188,5.599243599,5.743795286,12.87015568,0.668814482,1.621885796,4.217789496,0.812485802,0.397230173,0.777113817,0.149697832,0.550297913,0.495979347,0.456970088,5.427505471,5.425071209,12.21384241,0.665670726,1.503247348 +UMLRON0048,L,2-pentanone,CCCC(=O)C,7895,MON from [11],"Sandia, UML","[9], [11]",C5H10O,PubChem,,105.7,0,1.2082,1.45974724,33.401,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1289.413615,1004.9545,814.460644,302.76288,36.578304,0,0,3461.958223,4376.887272,5892.91255,6092.452474,4866.454479,3126.683726,1119.0148,0,0,160.279036,159.125208,296.711548,379.656976,432.938128,251.444736,241.864704,0,0,26.63610648,34.55010896,49.80024258,56.12991302,48.09066387,32.0604183,16.00606457,0,0,3846.242925,3210.7269,6660.186019,8672.026479,10908.59722,5893.952969,6657.035473,0,0,37.80555556,44.33333333,67.11111111,87.33333333,83,60,36,0,0,44.61329874,48.14991518,30.70032417,18.61026852,12.92794673,8.41008,1.016064,0,0,150.5199227,198.9494215,140.3074417,112.823194,77.2453092,86.85232572,31.08374443,0,0,6.968653739,7.232964,7.064560667,7.030684741,6.872033778,6.984576,6.718464,0,0,1.158091586,1.570459498,1.185720062,1.039442834,0.763343871,0.890567175,0.444612905,0,0,167.2279533,145.9421318,158.5758576,160.5930829,173.1523369,163.7209158,184.917652,0,0,1.643719807,2.015151515,1.597883598,1.617283951,1.317460317,1.666666667,1,0,0,0.031809221,-0.006716478,0.001197502,-0.024035702,0.020938684,-0.026591974,0.019303359,0,0,589.5388264,-58.58770946,-8.010038403,-457.7164802,306.4411835,-480.6023042,403.7059355,0,0,1096.272622,-108.9463475,-14.89500845,-851.14334,569.8404662,-893.700507,750.7084259,0,0,0.115486609,-0.01147693,-0.001569112,-0.089663516,0.060029724,-0.094146692,0.079083221,0,0,4.900848691,-0.487040864,-0.066587618,-3.805006748,2.547452018,-3.995257085,3.356015952,0,0,26.62148787,-2.645613702,-0.361704998,-20.66885705,13.83779979,-21.7022999,18.22993191,0,0,3.311594203,-1.865679479,1.513127494,-3.130119723,3.584908633,-3.574669187,1.816635161,0,0,0.00138301,-3.05E-04,2.85E-05,-4.45E-04,3.32E-04,-7.39E-04,5.36E-04,0,0,25.63212289,-2.663077703,-0.1907152,-8.476231114,4.864145769,-13.350064,11.21405376,0,0,47.66402704,-4.952106706,-0.354643058,-15.7619137,9.045086764,-24.82501408,20.85301183,0,0,0.005021157,-5.22E-04,-3.74E-05,-0.001660435,9.53E-04,-0.002615186,0.002196756,0,0,0.213080378,-0.022138221,-0.001585419,-0.070463088,0.040435746,-0.110979363,0.093222665,0,0,1.157455995,-0.120255168,-0.008612024,-0.382756612,0.219647616,-0.602841664,0.506386998,0,0,0.143982357,-0.084803613,0.036026845,-0.05796518,0.056903312,-0.099296366,0.050462088,0,0,-0.220746452,0.020615871,-0.321838399,0.240316525,-0.534100375,0.387708371,0,0,-0.103896104,-0.007440476,-0.330687831,0.189767574,-0.520833333,0.4375,0,0,-0.103896104,-0.007440476,-0.330687831,0.189767574,-0.520833333,0.4375,0,0,-0.103896104,-0.007440476,-0.330687831,0.189767574,-0.520833333,0.4375,0,0,-0.103896104,-0.007440476,-0.330687831,0.189767574,-0.520833333,0.4375,0,0,-0.103896104,-0.007440476,-0.330687831,0.189767574,-0.520833333,0.4375,0,0,-0.588986142,0.250217082,-0.402585299,0.395210309,-0.689642597,0.350474106,0,0,1.758171921,1.032756391,1.446890374,0.503049927,1.697783992,0,0,0,1.642857143,1.183248299,1.42228836,0.573696145,1.505952381,0,0,0,1.642857143,1.183248299,1.42228836,0.573696145,1.505952381,0,0,0,1.642857143,1.183248299,1.42228836,0.573696145,1.505952381,0,0,0,1.642857143,1.183248299,1.42228836,0.573696145,1.505952381,0,0,0,1.642857143,1.183248299,1.42228836,0.573696145,1.505952381,0,0,0,2.197665937,0.575579174,1.537806954,0.281198986,2.214442013,0,0,0,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,37.48986374,18.62390012,29.28763257,37.31696124,5.330994463,18.62390014,-0.242063492,1.67E-16,2.38E-17,-25.43193482,2000010.202,285715.7432,10.15606399,0,11.89,12.11009426,-0.164615304,0.056093615,5.749051432,7.648782394,6,22,22,22,6,0,0,0,0,0,17.491312,3.526648257,3.112599877,2.333552793,2.333552793,2.181727047,1.162837791,0.902587011,0.083923071,1.926688276,1.667247237,1.249629723,1.249629723,1.084438741,0.440344289,0.348066086,0.083923071,3.553367324,3.150713835,2.405454588,2.405454588,2.250821456,1.269690916,1.031979376,0.270913902,1.867720858,1.58857667,1.134540686,1.134540686,0.969245257,0.290000277,0.186460336,0.270913902,3.67134812,3.318028628,2.704236987,2.704236987,2.542033557,1.702702127,1.537209272,0.943918427,1.694987868,1.351217995,0.76031856,0.76031856,0.597291919,0.218324093,0.373444117,0.943918427,3.573079272,3.178805544,2.457539916,2.457539916,2.301138919,1.346550641,1.123795185,0.399277246,1.83022888,1.537907807,1.058262671,1.058262671,0.893065587,0.188893887,0.076887173,0.399277246,3.729063388,3.398793114,2.838982085,2.838982085,2.67505104,1.891182114,1.749263129,1.207644823,1.641383456,1.275766962,0.631337262,0.631337262,0.470453387,0.40108138,0.581393754,1.207644823,3.544875463,3.234857964,2.61879123,2.61879123,2.361003522,1.396934638,1.208461479,0.575342466,1.845944923,1.466086296,0.892763832,0.892763832,0.800329812,0.097213156,0.038783586,0.575342466,0,0,0,0,0,4,1,2,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.816496581,0,0,0,0.471404521,0.942809042,0.23570226,0.471404521,0.942809042,0.23570226,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.6885,34.293,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,38,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,4,0,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,9.055555556,0,1.361111111,0,0,0,1.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.263888889,0,1.361111111,0,0,0,0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.263888889,0,1.361111111,0,0,0,0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.16666667,1.738095238,0.2,2.263888889,0.2,0.875,5.311805556,0.458333333,0.263888889,2.111111111,0.458333333,0.263888889,2.111111111,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.57143,0.28571,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.47656,1.06808,7.47656,0,0,3.12588,0.44655,3.12588,0,0,0.28812,0.04116,0.28812,0.04116,0,6,0,0,0,0,0,0,1,0.886540893,1.306170652,2.044451086,2.044451086,1.847774479,1.234981096,20.39044053,30.04192499,47.02237498,47.02237498,42.49881302,28.4045652,0.195982923,0.288748262,0.451956026,0.451956026,0.408477765,0.273010762,3.637021063,3.217391304,2.47911087,2.47911087,2.675787477,3.28858086,0.19880132,0.292900702,0.45845553,0.45845553,0.414352016,0.276936884,6.634953582,11.67051069,12.41456819,12.41456819,10.05444891,6.068894352,27.76507516,21.21742031,22.49198364,22.49198364,21.311924,17.02237031,7,3.06122449,6,7,0,5,2.23,1.0949,1.889881575,2,4.618802154,0,0,2,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,2.811,7,4,4,0,0,0,0,0,0,28,1.945910149,2.079441542,1.609437912,1.609437912,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,2.5,0.444444444,0.5,0,0,0,0,0,0,0,0.416666667,0.063492063,0.125,0,0,0,0,0,0,0,0.60515873,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,0,129.6283511,3.807354922,3.295836866,3.891820298,4.65396035,5.262690189,6.033086222,6.64509097,7.417580402,8.030409562,8.803424212,67.03389907,2.564949357,0,3.713572067,0,4.976733742,0,6.300785795,0,7.655864018,7.958576904,100.1252005,4.353269587,12.50916243,1.787023205,0,0,0,48,4,4.201,26,1.224818182,2.110657079,2.894964612,3.459229516,4.302684992,4.961617097,0,0,0,0,69.72220731,74.05869283,59.19211135,52.69936513,38.59170013,5.041320514,0,0,0,0,268.787596,322.8305105,342.2742041,291.6801335,391.8435021,154.2256378,0,0,0,0,8.893455721,14.97231911,20.39096586,23.83418797,30.13901462,33.33444585,0,0,0,0,2.059771149,2.666275448,3.106136598,2.795064771,3.976929202,2.20599899,0,0,0,0,176.6115071,330.2656746,462.1949756,594.3973487,697.5427907,917.4905839,0,0,0,0,2.51619697,3.51717407,4.759650394,4.723785449,7.388053557,4.961617097,0,0,0,0,0.427911136,0.562382111,0.66508454,0.606794077,0.865141658,0.508069591,0,0,0,0,372.2477062,145.3219568,8.886691416,126.2977843,-49.3054513,-7.265832583,245.949922,194.6274081,16.152524,0.746667482,0.291491869,0.017825237,0.253332518,-0.098898601,-0.014574061,185.5824153,72.44960624,4.430419931,62.9651908,-24.5810104,-3.622348069,0.075294283,0.160214534,0.926109052,9.165087944,498.5454905,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,621.903098,24.93798504,8.53573467,1.404310375,1.404310375,364.3162779,345.2860334,119.0552266,1.055114434,3.060061184,2.900217346,3.933228778,3.22022378,6.424248771,0.99496967,4.462408855,5.691203506,2.797575608,18.20912219,5.988481935,11.66874289,6.912930956,12.27598257,4.238511116,6.905147207,1.605945921,1.126710556,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690852012,0.161793675,7.555440401,1.037894845,1.451060902,0.365282501,0.592520706,1.057460219,0.085778441,0.011311877,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.69087613,0.570383221,9.236120945,1.385042008,2.796094472,1.12223083,2.120727855,1.432429087,0.602231232,0.117870089,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691165138,2.590426972,17.38216366,5.450731076,10.78121932,6.307057247,11.25767979,3.946713009,6.177938327,1.430869639,1.00387882,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690906828,0.889297504,10.5365233,1.82031689,3.939321228,1.813937363,3.424147263,1.77129408,1.216721603,0.256026956,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691364698,3.61654255,21.46939034,8.245992229,15.25232951,9.389006307,16.39038951,5.429108477,9.949351807,2.342117712,1.643201455,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.738867285,4.604911638,1.19467072,12.63472009,2.562279929,6.564074637,2.716960672,5.292805327,2.758877206,2.445667946,0.531603137,0.372962548,2.66E-15,3.65E-51,9.67E-109,4.94E-188,4.87E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.656836928,1.197544226,0.973051922,0.627521051,0.205501155,0.559765397,0.460760999,0.513176981,5.827433076,9.102788859,19.19143421,0.441281576,1.533703376,2.948910444,0.689539164,0.49941062,0.712665552,0.166641483,0.363378354,0.152760287,0.135108822,4.137860228,3.850469617,9.003826027,0.568998328,0.651247463,3.242065491,0.899954401,0.69565988,0.670169512,0.186030172,0.439538892,0.260215762,0.26227935,4.837679771,5.799148164,12.66656249,0.505254268,0.962034003,3.640472539,1.185805491,0.962113216,0.628926481,0.20485925,0.554744762,0.4517722,0.5017084,5.788391246,8.960318203,18.90204861,0.443389722,1.508225362,3.367495969,0.989961812,0.779577431,0.655532974,0.192710731,0.474353962,0.314868687,0.329401207,5.137035212,6.730668153,14.46657473,0.483299461,1.118623856,3.707715601,1.234040061,1.007058827,0.623269663,0.207443023,0.57552068,0.489272838,0.549655412,5.948814489,9.552108247,20.10868977,0.434904494,1.61444893,3.651244979,1.188645525,0.964571619,0.629041055,0.204781339,0.558076426,0.453938803,0.504266288,5.804462123,9.008457023,18.9991947,0.443561583,1.516281517 +UMLRON0049,L,"2,4-Dimethylpentane",CC(C)CC(C)C,7907,,"Sandia, UML",[1],C7H16,PubChem,,83.1,0,0.3538,0.12517444,29.5874,19.363516,0,0,19,7,12,0,6,0,1,0,0,0,0,0,0,0,1133.745495,1058.76965,1309.522631,980.07576,837.48782,245.0952,18.289152,0,0,3130.497121,3797.153407,4869.666819,4756.223876,3521.133702,1962.172413,559.5073998,0,0,139.21638,133.148048,238.8371,290.346888,297.194816,162.393984,120.932352,0,0,22.71195886,28.64637172,38.88601801,40.43475799,31.93123952,17.90497835,8.003032287,0,0,3165.229247,2624.785681,5239.795721,6307.685046,7269.461727,3503.329189,3328.517736,0,0,79.80555556,47.16666667,74.22222222,100.8333333,86,69,18,0,0,59.67081553,58.82053611,39.68250397,25.13014769,19.94018619,11.6712,1.016064,0,0,164.7630063,210.9529671,147.5656612,121.9544584,83.83651671,93.43678159,31.08374443,0,0,7.327177895,7.397113778,7.237487879,7.444792,7.076067048,7.733046857,6.718464,0,0,1.195366256,1.591465096,1.178364182,1.036788666,0.760267608,0.852618017,0.444612905,0,0,166.591013,145.8214267,158.7816885,161.735514,173.0824221,166.8251995,184.917652,0,0,4.200292398,2.62037037,2.249158249,2.585470085,2.047619048,3.285714286,1,0,0,0.125470344,-0.043792832,0.013412093,-0.058230479,0.064354802,-0.051443097,0.012964341,0,0,605.7336044,-45.41908671,93.72540758,-506.8584002,393.1711269,-564.6998261,327.2139763,0,0,916.6964704,-95.75164029,10.66748546,-682.2312297,472.4295577,-653.740033,490.2776246,0,0,1.062550737,-0.002447645,0.133494404,-0.472055934,0.242835845,-0.629765551,0.196663512,0,0,4.063287563,-0.461433045,-0.420527699,-2.439619519,1.360197496,-1.958876983,1.888615969,0,0,22.47243353,-2.562605463,-3.059085009,-12.35129549,6.135287904,-9.184291683,9.785772976,0,0,34.00292398,-1.564173592,5.497845491,-16.56740536,10.24792244,-20.11288089,5.497229917,0,0,0.006603702,-0.002432935,4.06E-04,-0.001493089,0.001532257,-0.002449671,7.20E-04,0,0,31.88071602,-2.523282595,2.840163866,-12.99636924,9.361217307,-26.89046791,18.17855424,0,0,48.24718265,-5.319535572,0.323257135,-17.49310845,11.2483228,-31.13047776,27.23764581,0,0,0.055923723,-1.36E-04,0.004045285,-0.012103998,0.005781806,-0.029988836,0.010925751,0,0,0.21385724,-0.025635169,-0.012743264,-0.062554347,0.032385655,-0.093279856,0.104923109,0,0,1.18275966,-0.14236697,-0.092699546,-0.316699884,0.146078283,-0.437347223,0.543654054,0,0,1.789627578,-0.086898533,0.166601379,-0.424805266,0.243998153,-0.957756233,0.305401662,0,0,-0.368419868,0.061545334,-0.226098805,0.232030022,-0.370954229,0.109066271,0,0,-0.079147614,0.089087204,-0.407656128,0.293632593,-0.843471266,0.570205331,0,0,-0.11025588,0.006700021,-0.362572641,0.233139474,-0.645228924,0.564543758,0,0,-0.002431532,0.07233576,-0.216437634,0.103387356,-0.536245339,0.195368801,0,0,-0.119870476,-0.059587712,-0.292505162,0.151435858,-0.436178154,0.490622199,0,0,-0.12036847,-0.07837564,-0.267763515,0.123506312,-0.369768464,0.459648797,0,0,-0.048556769,0.093092764,-0.237370764,0.136340184,-0.535170694,0.170650959,0,0,1.096744496,0.696126185,1.45559027,0.535739388,2.330603395,0.004149381,0,0,1.212328523,0.88646729,1.448849684,0.519039504,1.98189853,0,0,0,1.492302918,1.092143786,1.360526189,0.561866633,1.497089647,0,0,0,0.521883785,0.520629855,1.517126323,0.607822807,2.844229627,0,0,0,1.578834284,1.181956255,1.305469784,0.611189036,1.285388827,0,0,0,1.583316226,1.196478905,1.292177878,0.627316015,1.251156866,0,0,0,0.575113939,0.49305029,1.543796345,0.567178114,2.873702443,0,0,0,25.96314285,13.10657143,20.3329338,26.14171428,3.734530612,13.10657758,0.25,0.068013005,0.009716144,-1.881639444,30.58368688,4.369098126,2.394326731,25.96489984,13.10708271,20.3336424,26.14294669,3.734706669,13.10708887,0.249265579,0.067988311,0.009712616,-1.881893637,30.58985987,4.369979981,2.394468004,27.529989,13.56549726,20.9960364,27.24499295,3.89214185,13.56550072,-0.398994478,0.043721061,0.006245866,-2.190947737,42.43781807,6.062545438,2.62362793,25.96674386,13.10761933,20.33438618,26.14424015,3.734891449,13.10762548,0.2484948,0.067962389,0.009708913,-1.882160577,30.59634635,4.370906621,2.394616421,29.20510565,14.06140569,21.78952822,28.43203832,4.06171976,14.06140769,-1.082294264,0.011852043,0.001693149,-3.104678512,44.57674377,6.368106254,2.658048598,26.14724822,13.1601912,20.40757667,26.27091549,3.752987928,13.16019692,0.173134186,0.065397108,0.009342444,-1.909094066,31.27221929,4.467459899,2.409911099,31.41061657,15.75768821,25.20461995,31.66597371,4.52371053,15.75768869,0.595833333,0.12474119,0.01782017,-1.457059919,21.30881147,3.044115924,2.14138447,0,11.89,15.99491614,-0.299487967,0.191284835,4.115246849,7.408132304,6,18,17,17,5,1,1,0,0,1,14.076484,3.558319352,3.12344078,2.333552793,2.229348518,1.89666642,1.013391022,0.083923071,0.083923071,1.874120128,1.556280499,1.249629723,1.109819166,0.41216828,0.201056763,0.083923071,0.083923071,3.533611473,3.093119753,2.405454588,2.288511769,1.729416719,1.115994053,0.270913902,0.270913902,1.833592029,1.512587495,1.134540686,1.002392129,0.406186076,0.207441325,0.270913902,0.270913902,3.667227493,3.284656791,2.704236987,2.585130525,2.145438227,1.598055479,0.943918427,0.943918427,1.655083163,1.260910823,0.76031856,0.631552381,0.036015662,0.337358679,0.943918427,0.943918427,3.540248905,3.09902604,2.457539916,2.336772788,1.693370082,1.192937891,0.399277246,0.399277246,1.811391263,1.485681914,1.058262671,0.931617153,0.443273648,0.113043226,0.399277246,0.399277246,3.707514721,3.34080596,2.838982085,2.713698371,2.190780519,1.795321321,1.207644823,1.207644823,1.612039294,1.203442543,0.631337262,0.507329386,0.089166256,0.525489439,1.207644823,1.207644823,4.737007632,3.397884332,2.812841976,2.612600818,2.360692296,1.298914343,0.571428571,0.571428571,1.759900725,1.268935406,0.898315104,0.820812075,0.046094333,0.431259103,0.571428571,0.571428571,0,0,0,1,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.552585858,0,0,0,0.471404521,0.942809042,0.23570226,0.287457479,0.454124145,0.083333333,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,5.192705341,2.620626365,2.299986098,0.695705769,0.574914957,0,0,0,0.741815049,0.436771061,0.328569443,0.173926442,0.143728739,0,0,0,9.965765927,18.6576839,17.70196078,17.96,11.27156647,146.3240515,0.524513996,0.981983363,0.931682147,0.945263158,0.59324034,7.701265868,1.6215,30.136,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,38,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,2,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.238541667,0.802777778,0,0,0,0,0,0,0,0,0,0,5.711111111,0,0.722222222,0,0,0,0.525462963,0,0,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.265625,0.401388889,0,0,0,0,0,0,0,0,0,0,1.625,0,0.722222222,0,0,0,0.525462963,0,0,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.043055556,0,0.722222222,0,0,0,0.525462963,0,0,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.5,2.5,0.544097222,10.25416667,0.265625,0.287037037,2.998160648,1.37962963,3.254166667,6.680555556,1.37962963,3.254166667,6.680555556,3.33333,0.47619,0,0.02381,0.48772,0.80952,0.42174,0.48772,0.80952,0.06598,0,-0.06598,0,0.58823,0.12606,0,0.55,0.3,0,4.75,0.67857,3.25,0.46429,1.5,0.21429,-1.75,-0.25,0,0,5.60639,0.80091,7.47656,1.87016,0.26717,2.3835,0.3405,3.12588,0.74238,0.10605,0.28812,0.04116,0.28812,0.04116,0,6.01,1,1,1,1,0,0,0.833333333,1.167436723,1.878477513,2.970840013,2.970840013,2.747264881,1.95822751,22.18129774,35.69107275,56.44596025,56.44596025,52.19803274,37.20632268,0.27482501,0.44221035,0.699362219,0.699362219,0.64673064,0.46098421,3.08049079,2.36945,1.2770875,1.2770875,1.500662633,2.289700004,0.27482501,0.44221035,0.699362219,0.699362219,0.64673064,0.46098421,10.29981851,18.83230798,19.93321825,19.93321825,17.25031667,11.53995111,25.71846446,16.28162645,16.57668442,16.57668442,15.23523362,11.86855782,7,3.06122449,6,7,1,5,2.01,0.9697,0.944940787,1.5,3.464101615,0,0,2,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.437,0.423,0.559,0.164,3.16,7,4,4,0,0,0,0,0,0,28,2.079441542,2.302585093,1.791759469,1.945910149,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,2.5,0.444444444,0.5,0,0,0,0,0,0,0,0.416666667,0.063492063,0.125,0,0,0,0,0,0,0,0.60515873,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,17.07,118.4861345,3.807354922,3.295836866,3.891820298,4.65396035,5.262690189,6.033086222,6.64509097,7.417580402,8.030409562,8.803424212,67.03389907,2.564949357,0,3.713572067,0,4.976733742,0,6.300785795,0,7.655864018,7.958576904,100.088815,5.267832369,12.50916243,1.787023205,2.353722019,2.353722019,0,48,4,1.515,26,1.230611111,2.12103616,2.929552435,3.507444006,4.615717238,5.388940886,0,0,0,0,82.68712511,95.45405843,78.80940754,77.95564844,52.9907806,5.475508833,0,0,0,0,283.9634567,340.8787932,373.4421494,322.2767485,439.4380452,167.5084613,0,0,0,0,9.132995542,15.455765,21.83800757,24.83366863,35.14336204,36.20540534,0,0,0,0,2.091655824,2.657436263,3.138460391,2.86015175,4.075136547,2.395992661,0,0,0,0,177.3517926,332.4642362,471.3368965,600.6746053,762.3096694,996.5102956,0,0,0,0,3.273416667,5.07003966,7.632776413,7.223760541,13.99792761,5.388940886,0,0,0,0,0.447387083,0.589369519,0.716756691,0.658597777,0.979669877,0.551827547,0,0,0,0,355.83439,167.2699736,11.24322526,140.0132906,-65.81718933,-14.85114539,215.8210994,233.0871629,26.09437066,0.717628425,0.337341446,0.022674756,0.282371575,-0.132736709,-0.029951023,176.4396569,82.94042842,5.574927169,69.42526537,-32.63530067,-7.363905996,0.276179363,0.637060715,4.577241911,19.95704248,464.5209294,31.32675112,0.936821826,0.063178174,444.2955983,21.07832058,7.630576257,560.5400313,23.67572663,8.245219299,743.2474783,27.26256551,9.058253729,1.466071549,1.466071549,367.0943366,306.9940536,100.7031294,1.195770186,3.645312104,3.048505596,3.756230434,3.285516602,6.459306918,0.965994302,3.360021677,4.829722797,2.101725945,12.87919841,3.042241378,2.214508117,3.802837146,7.969001903,3.498671088,2.673250347,1.003391444,1.694936254,4.02E-13,1.84E-47,1.62E-103,2.77E-181,9.08E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,0.298477101,4.829555905,0.129848944,5.551998594,0.329112994,0.090083741,0.372205781,0.447445512,0.97387853,0.024129653,0.007115375,0.011937575,2.83E-15,1.30E-49,1.14E-105,1.95E-183,6.40E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0.916142542,4.829449611,0.449826549,6.183564631,0.554572165,0.353472511,0.794755283,1.469626846,1.424141986,0.209822625,0.073767622,0.124398731,2.95E-14,1.35E-48,1.19E-104,2.03E-182,6.67E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,3.176697216,4.829762943,1.951815445,12.77726947,3.009705819,2.024819367,3.524945416,7.577750203,3.321110088,2.385468488,0.894037043,1.510157687,3.58E-13,1.64E-47,1.45E-103,2.46E-181,8.09E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,1.34265012,4.829423473,0.69398442,6.794772901,0.743532422,0.584680653,1.167252271,2.260111378,1.752554453,0.442716437,0.160114014,0.270210668,6.41E-14,2.93E-48,2.59E-104,4.41E-182,1.45E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,4.057735794,4.829870904,2.689927216,15.74552918,4.283438225,2.987587618,5.024435039,10.61666451,4.182389049,3.881391619,1.46319423,2.471905233,5.86E-13,2.68E-47,2.37E-103,4.03E-181,1.32E-280,0,0,0,0,0,0,0,0,0,0,0,0,0,2.084230024,4.161406128,0.946587482,12.00817543,2.641026798,1.03801432,1.888819403,4.831243806,2.6402297,0.895415995,0.327843621,0.553448573,1.31E-13,6.01E-48,5.30E-104,9.03E-182,2.97E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,3.924806068,1.232696033,0.529937156,0.690083162,0.216740079,0.522499441,0.490918306,0.476750056,5.687439257,7.571244867,15.8225693,0.535124743,1.490167803,2.930015442,0.840431796,0.216448864,0.734911411,0.21079852,0.296286177,0.203321099,0.063473948,3.986896102,3.278587162,7.79848386,0.602367117,0.563081223,3.361835515,0.945508354,0.331191239,0.724762331,0.203837706,0.382598752,0.281140806,0.180092011,4.638535107,4.605198113,10.29647212,0.587143496,0.843831569,3.858519066,1.230832302,0.526333811,0.687096755,0.219177583,0.504330786,0.483979923,0.464971085,5.615685179,7.427887604,15.543232,0.530645133,1.453281794,3.570405547,1.011055144,0.380178704,0.719601983,0.203774411,0.432081918,0.329311255,0.244425645,4.961639395,5.351650682,11.68568839,0.579402974,1.005818819,3.985298075,1.273170897,0.557199472,0.685269133,0.218920819,0.538747757,0.523543854,0.527133865,5.815668444,8.003981659,16.64686101,0.5279037,1.589425476,3.865712136,1.23474495,0.526953369,0.68694334,0.219416188,0.506166524,0.486548254,0.465277809,5.627410454,7.460871582,15.60351928,0.530415011,1.457992587 +UMLRON0050,L,4- methyl-2- pentanone,CC(C)CC(=O)C,7909,"""methylisobutylketone""","Sandia, UML",[11],C6H12O,UML,,105.7,0,-0.0497,0.00247009,32.0097,20.697102,0,0,21,7,14,0,6,0,1,0,0,0,0,0,0,0,1135.777623,1130.883694,1439.608479,952.272388,790.075108,302.76288,36.578304,0,0,3192.664609,3905.83924,4854.28677,4657.548737,4120.444613,3126.683726,1119.0148,0,0,152.653308,149.87668,276.2031,324.084496,271.694992,251.444736,241.864704,0,0,23.60118467,29.42390034,37.94565979,38.49779103,37.41995415,32.0604183,16.00606457,0,0,3535.064551,2957.579749,6033.097523,7092.116237,6470.573576,5893.952969,6657.035473,0,0,45.80555556,46.66666667,80.77777778,91.33333333,59,60,36,0,0,54.08464871,56.5441847,38.90833727,22.6731521,20.2583361,8.41008,1.016064,0,0,152.0316481,195.291962,131.1969397,110.8940175,105.652426,86.85232572,31.08374443,0,0,7.269205143,7.493834,7.464948649,7.716297524,6.966538256,6.984576,6.718464,0,0,1.123865937,1.471195017,1.025558373,0.916614072,0.959486004,0.890567175,0.444612905,0,0,168.3364072,147.8789875,163.0566898,168.8599104,165.912143,163.7209158,184.917652,0,0,2.181216931,2.333333333,2.183183183,2.174603175,1.512820513,1.666666667,1,0,0,0.167385845,-0.053514549,0.03446159,-0.110774136,0.028286874,-0.005666155,0.023513453,0,0,638.6281311,-22.56118033,123.0342012,-518.4730811,45.94086945,-482.9657385,535.7108638,0,0,965.983639,-166.0761568,-52.27177402,-239.3249831,69.70186553,-897.6975171,802.676746,0,0,1.082321143,0.050429388,0.074985796,-1.055124571,0.094134449,-0.027560816,0.321975184,0,0,4.253148428,-1.120695763,-1.142236037,0.689358614,0.319172316,-3.964193139,3.092019795,0,0,23.45618849,-6.732245357,-7.792566056,6.400530384,1.78889071,-21.41385605,16.02115213,0,0,8.026455026,-2.747417486,5.613441673,-10.15608466,3.081821618,-3.997732426,4.192743764,0,0,0.007970755,-0.002675727,9.31E-04,-0.002637479,7.25E-04,-1.57E-04,6.53E-04,0,0,30.41086339,-1.128059016,3.325248682,-12.34459717,1.177971012,-13.41571496,14.88085733,0,0,45.9992209,-8.303807841,-1.412750649,-5.698213883,1.787227321,-24.93604214,22.29657628,0,0,0.051539102,0.002521469,0.002026643,-0.025122014,0.002413704,-7.66E-04,0.008943755,0,0,0.202530878,-0.056034788,-0.030871244,0.0164133,0.008183906,-0.110116476,0.085889439,0,0,1.116961357,-0.336612268,-0.210609893,0.152393581,0.045868993,-0.594829335,0.445032004,0,0,0.382212144,-0.137370874,0.15171464,-0.241811539,0.079021067,-0.111048123,0.116465105,0,0,-0.335693119,0.116851464,-0.330894574,0.09099571,-0.019746335,0.081943492,0,0,-0.037093949,0.109344106,-0.405927218,0.038735204,-0.441148769,0.489327026,0,0,-0.180520619,-0.030712491,-0.123876313,0.038853426,-0.542097054,0.48471639,0,0,0.048923425,0.039322438,-0.487435997,0.046832477,-0.014854318,0.17353339,0,0,-0.276672816,-0.152427346,0.081040978,0.040408187,-0.543702163,0.424080712,0,0,-0.301364291,-0.188556114,0.136435858,0.041065872,-0.532542448,0.398430976,0,0,-0.35941002,0.396938303,-0.632663151,0.206746615,-0.290540541,0.30471325,0,0,1.344741527,1.417805837,2.881393909,0.072885605,0.188479742,0,0,0,1.351907573,1.036907151,1.637321092,0.777731262,1.263813301,0,0,0,1.667047457,1.093054111,1.023666877,0.956123487,1.553700666,0,0,0,0.915140581,1.481550577,3.050355972,0.089896064,0.146081103,0,0,0,1.833557922,1.217098138,0.801048661,0.970791453,1.577536111,0,0,0,1.868478074,1.264085378,0.77694382,0.956180914,1.553793985,0,0,0,1.456987475,0.903543623,2.640079103,0.170376756,0.830586684,0,0,0,24.79403391,12.52201696,18.52201696,24.97260534,3.567515049,12.52202735,0.25,5.55E-17,7.93E-18,-26.20096343,2000010.832,285715.8332,10.15606421,24.80445812,12.52686185,18.53113495,24.98250497,3.568929281,12.52687219,0.249265579,8.33E-16,1.19E-16,-24.30532828,2000010.831,285715.833,10.15606421,34.06032461,16.83066506,26.65502993,33.77532855,4.825046936,16.83066518,-0.398994478,2.22E-16,3.17E-17,-25.23055737,2000010.288,285715.7554,10.15606402,24.81539859,12.5319467,18.54070466,24.99289488,3.570413554,12.53195698,0.2484948,1.11E-16,1.59E-17,-25.7157604,2000010.83,285715.8328,10.15606421,43.88849991,21.40310282,35.29740114,43.11543258,6.159347512,21.40310283,-1.082294264,1.67E-16,2.38E-17,-25.43193482,2000010.107,285715.7296,10.15606395,25.88600966,13.02957192,19.47784443,26.00967694,3.715668134,13.02957802,0.173134186,3.89E-16,5.55E-17,-24.83882632,2000010.717,285715.8167,10.15606417,26.68886708,13.47935418,19.32922528,26.88161085,3.840230121,13.47935784,0.26984127,4.44E-16,6.34E-17,-24.74535435,2000010.916,285715.8451,10.15606424,0,11.89,15.99491614,-0.375319647,0.1261689,5.353938456,6.863208452,6,20,20,20,6,0,0,0,0,0,17.220898,3.479286242,3.112599877,2.333552793,2.333552793,1.935359717,1.162837791,0.523891879,0.083923071,1.806415989,1.667247237,1.249629723,1.249629723,0.632246734,0.440344289,0.083923071,0.083923071,3.419952489,3.150713835,2.405454588,2.405454588,1.796262707,1.269690916,0.425946291,0.270913902,1.787861337,1.58857667,1.134540686,1.134540686,0.597673242,0.290000277,0.270913902,0.270913902,3.606298612,3.318028628,2.704236987,2.704236987,2.225116397,1.702702127,1.071114653,0.943918427,1.559938968,1.351217995,0.76031856,0.76031856,0.124091057,0.218324093,0.943918427,0.943918427,3.417378665,3.178805544,2.457539916,2.457539916,1.788734022,1.346550641,0.426535677,0.399277246,1.7765856,1.537907807,1.058262671,1.058262671,0.577268753,0.188893887,0.399277246,0.399277246,3.645232044,3.398793114,2.838982085,2.838982085,2.30961604,1.891182114,1.208225193,1.207644823,1.515604221,1.275766962,0.631337262,0.631337262,0.022793335,0.40108138,1.207644823,1.207644823,3.616479109,3.214417714,2.598486893,2.598486893,2.343874385,1.382195852,0.966452287,0.5625,1.654758804,1.48511223,0.910986893,0.910986893,0.303296978,0.111501337,0.5625,0.5625,0,0,0,0,0,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.471404521,0,0,0,0.471404521,0.942809042,0.23570226,0.272165527,0.544331054,0.136082763,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,5.562948829,2.780805598,2.233592343,0.544331054,0.544331054,0,0,0,0.794706976,0.4634676,0.31908462,0.136082763,0.136082763,0,0,0,10.50759373,20.54552076,19.42745098,19.72,12.07012096,162.609612,0.500361606,0.978358131,0.925116713,0.939047619,0.574767665,7.743314856,1.8198,31.357,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,38,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.144444444,0,0,0,0,0,0,0,0,0,0,0,8.166666667,0,0,0,0,0,0.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,2.041666667,0,0,0,0,0,0.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.041666667,0,0,0,0,0,0.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.16666667,2.023809524,0.45,5.25,0.055555556,0.375,3.84675,0.958333333,1.75,3.833333333,0.958333333,1.75,3.833333333,3.33333,0.47619,0,0.02381,0.46984,0.80952,0.42174,0.46984,0.80952,0.0481,0,-0.0481,0,0.58823,0.12606,0,0.6,0.3,0,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.44037,0.92005,7.47656,1.03619,0.14803,2.64202,0.37743,3.12588,0.48386,0.06912,0.28812,0.04116,0.28812,0.04116,0,6.01,1,1,1,1,0,0,1,1.115520094,1.377890332,1.772338851,1.772338851,1.563180878,1.240103029,23.42592197,28.93569697,37.21911587,37.21911587,32.82679845,26.0421636,0.253970737,0.313704635,0.403508827,0.403508827,0.355889779,0.282334565,3.276797329,3.014427091,2.619978572,2.619978572,2.829136544,3.152214394,0.258107046,0.318813803,0.410080596,0.410080596,0.361685998,0.286932823,9.935135927,13.08357879,13.48111388,13.48111388,10.13564997,6.258715768,25.72285013,21.9461562,22.66880993,22.66880993,20.99554615,17.11861195,7,3.06122449,6,7,0,3,2.01,1.0127,1.889881575,0,4.618802154,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.332,0.33,0.234,0.024,2.672,7,4,4,0,0,0,0,0,0,28,1.945910149,2.079441542,1.609437912,1.609437912,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,2.5,0.444444444,0.5,0,0,0,0,0,0,0,0.416666667,0.063492063,0.125,0,0,0,0,0,0,0,0.60515873,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,9.23,121.1225932,3.807354922,3.295836866,3.891820298,4.65396035,5.262690189,6.033086222,6.64509097,7.417580402,8.030409562,8.803424212,67.03389907,2.564949357,0,3.713572067,0,4.976733742,0,6.300785795,0,7.655864018,7.958576904,102.1044651,4.862117384,12.50916243,1.787023205,2.759305623,2.759305623,0,48,4,1.786,26,1.2239,2.089999681,2.848856381,3.456167734,4.063840867,4.721292034,0,0,0,0,80.31687478,91.32927946,68.74203028,78.23376463,36.54382475,4.79713487,0,0,0,0,260.8372223,295.5205042,328.5905536,386.9553405,370.8038447,146.755435,0,0,0,0,9.248938802,15.73320307,22.01110443,24.1202139,28.46937969,31.71983057,0,0,0,0,1.90483678,2.253728213,2.691451825,3.444135024,3.761859577,2.099147366,0,0,0,0,179.4180724,337.34898,478.6916479,570.4494244,658.5513228,873.0502375,0,0,0,0,2.950533333,4.829111942,6.2720346,5.374187198,6.986447684,4.721292034,0,0,0,0,0.4256175,0.541063479,0.646345621,0.737148235,0.818288003,0.483460304,0,0,0,0,369.5446275,196.2494494,10.81717016,109.6845596,-58.24880901,-10.18137122,259.8600679,254.4982584,20.99854138,0.771122956,0.409510636,0.022572019,0.228877044,-0.121546873,-0.021245307,177.0965715,94.04846412,5.183903665,52.56404235,-27.9145294,-4.879210253,0.111853907,0.706711503,0.739856822,12.41795255,461.6577277,17.57145949,0.963333912,0.036666088,443.6860744,21.06385706,7.627085227,579.3045795,24.06874695,8.33621654,754.3872326,27.46611062,9.103284378,1.366949698,1.022665312,323.098012,304.5019777,116.5962803,1.061070324,2.771083358,2.611592555,3.725624216,3.119969617,6.192856038,0.984909085,3.90460794,5.922587268,4.360805707,9.773373692,7.001747037,4.726763655,4.450096484,4.676833077,4.160200603,1.849607791,0.987891991,1.07E-04,5.40E-29,6.31E-75,1.48E-142,6.74E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686927,4.823141843,0.264908257,3.447386382,0.443440197,0.93306151,1.558468412,0.37957544,0.172623473,0.117556422,0.006957804,7.55E-07,3.80E-31,4.45E-77,1.04E-144,4.75E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.057812657,4.44111614,0.753390701,4.141750086,1.110596812,1.392527603,1.905292586,1.220102309,0.672971854,0.404307205,0.072505683,7.87E-06,3.96E-30,4.63E-76,1.09E-143,4.95E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631458,6.027088838,4.371043611,9.605350412,7.325414202,4.383111979,4.186959591,4.400797784,3.805142299,1.719941989,0.880193978,9.55E-05,4.81E-29,5.62E-75,1.32E-142,6.01E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021119,4.378839822,1.094576193,4.796009335,1.523880152,1.801439647,2.215652578,1.807975352,1.109559997,0.620986286,0.157492032,1.71E-05,8.61E-30,1.01E-75,2.36E-143,1.08E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379565,6.707769822,5.982951098,11.78095594,9.885526704,6.125644815,5.522149368,5.713582924,5.600787643,2.356532958,1.440747625,1.56E-04,7.88E-29,9.21E-75,2.16E-142,9.84E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.353223703,4.762709878,2.483939326,7.798634069,4.569981612,2.400200895,3.16088505,2.879134023,1.905036531,1.015427603,0.3125752,3.39E-05,1.71E-29,2.00E-75,4.68E-143,2.13E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.514787566,1.119915952,0.999216633,0.6238618,0.198780942,0.581436721,0.417003858,0.501663686,5.633920151,8.567339508,18.13444278,0.4357927,1.500104265,2.502452909,0.681251509,0.47986957,0.683063292,0.185952709,0.29450508,0.154261727,0.115599764,3.663573989,3.232562692,7.714218238,0.524594938,0.56436657,3.04627693,0.857593272,0.716840705,0.659265856,0.18559769,0.436564605,0.244486504,0.258077005,4.620710907,5.410919668,11.90435297,0.488898783,0.939128114,3.436035585,1.102918565,0.970966476,0.623608908,0.200169592,0.555663993,0.404413259,0.47367386,5.509920626,8.196839754,17.38640042,0.435413362,1.433751111,3.261657131,0.940934586,0.820247943,0.64936517,0.187331201,0.500549575,0.294344736,0.337967541,5.022839661,6.516173215,14.05635874,0.474047755,1.132861852,3.554248199,1.150400207,1.028945372,0.619898852,0.200642084,0.594596656,0.440018263,0.531977165,5.733593778,8.929634069,18.87038778,0.429848278,1.566592084,3.479087997,1.109470767,0.983005265,0.62443651,0.199130937,0.569719847,0.409245801,0.485523761,5.571564029,8.370523851,17.73643554,0.436654765,1.464489409 +UMLRON0051,L,di-iso-propyl ether,CC(C)OC(C)C,7914,,UML,[1],C6H14O,PubChem,,100.2,0,2.2962,5.27253444,39.5198,20.74793,6,6,18,8,10,0,8,0,0,0,0,0,0,0,0,0,1164.273608,1275.183848,1618.236826,1302.451087,665.960907,176.61168,15.24096,0,0,3698.972658,4535.501378,6027.984113,5780.464594,3802.065966,1823.89884,466.2561665,0,0,127.508768,131.500448,215.362792,237.043708,251.515884,146.676096,100.77696,0,0,26.75732905,33.4466431,46.14629777,47.13658925,35.07969115,18.70191067,6.669193573,0,0,2863.531369,2545.580326,4521.165141,4932.336942,5910.353707,3438.139232,2773.76478,0,0,39.55555556,48,68.11111111,74.66666667,60.33333333,35,15,0,0,64.68186711,70.84354711,53.94122753,39.46821476,18.49891408,8.41008,1.016064,0,0,205.498481,251.9722988,200.9328038,175.1655938,105.6129435,86.85232572,31.08374443,0,0,7.083820444,7.305580444,7.178759733,7.183142667,6.986552333,6.984576,6.718464,0,0,1.48651828,1.858146839,1.538209926,1.428381492,0.974435865,0.890567175,0.444612905,0,0,159.0850761,141.4211292,150.7055047,149.4647558,164.1764919,163.7209158,184.917652,0,0,2.197530864,2.666666667,2.27037037,2.262626263,1.675925926,1.666666667,1,0,0,0.042001109,0.001537727,-0.003264416,-0.030893485,0.001555872,-0.007196137,0.017259884,0,0,538.0711511,3.27E-13,98.6463777,-408.0372896,-67.25889389,-251.0998705,358.7141007,0,0,1000.566282,-9.95E-14,183.4371517,-758.7627638,-125.0707852,-466.9309316,667.044188,0,0,0.105404444,1.52E-15,0.019324148,-0.079931704,-0.013175556,-0.049188741,0.07026963,0,0,4.472996822,3.72E-15,0.820049417,-3.39202259,-0.559124603,-2.087398517,2.981997881,0,0,24.29738973,4.40E-14,4.45452145,-18.42552054,-3.037173716,-11.33878187,16.19825982,0,0,3.901234568,-0.790123457,1.806584362,-3.522633745,0.283950617,-2.218106996,2.489711934,0,0,0.002333395,8.54E-05,-1.09E-04,-9.36E-04,4.32E-05,-3.43E-04,0.001150659,0,0,29.89284173,1.82E-14,3.28821259,-12.36476635,-1.868302608,-11.95713669,23.91427338,0,0,55.58701566,-5.53E-15,6.114571723,-22.99281102,-3.474188479,-22.23480627,44.46961253,0,0,0.005855802,8.46E-17,6.44E-04,-0.002422173,-3.66E-04,-0.002342321,0.004684642,0,0,0.248499823,2.07E-16,0.027334981,-0.102788563,-0.015531239,-0.099399929,0.198799859,0,0,1.349854985,2.44E-15,0.148484048,-0.558349107,-0.084365937,-0.539941994,1.079883988,0,0,0.216735254,-0.043895748,0.060219479,-0.106746477,0.007887517,-0.105624143,0.165980796,0,0,0.036611584,-0.046633285,-0.401203496,0.018521801,-0.146856051,0.493126509,0,0,6.07E-16,0.11,-0.413636364,-0.0625,-0.4,0.8,0,0,-9.94E-17,0.11,-0.413636364,-0.0625,-0.4,0.8,0,0,1.44E-14,0.11,-0.413636364,-0.0625,-0.4,0.8,0,0,8.31E-16,0.11,-0.413636364,-0.0625,-0.4,0.8,0,0,1.81E-15,0.11,-0.413636364,-0.0625,-0.4,0.8,0,0,-0.202531646,0.277848101,-0.492520138,0.036392405,-0.487341772,0.765822785,0,0,0.967589144,0.998047666,1.479359411,0.977165594,0.962826089,0.09505304,0,0,1.0625,0.8925,1.390909091,0.95625,1.275,0,0,0,1.0625,0.8925,1.390909091,0.95625,1.275,0,0,0,1.0625,0.8925,1.390909091,0.95625,1.275,0,0,0,1.0625,0.8925,1.390909091,0.95625,1.275,0,0,0,1.0625,0.8925,1.390909091,0.95625,1.275,0,0,0,1.291139241,0.62943038,1.540563867,0.820411392,1.452531646,0,0,0,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,25.79125018,12.71880932,18.0863666,25.77875018,3.222343772,12.71882167,-0.05,0,0,0,4000010.951,500001.3688,12.16144613,0,11.85,12.15008271,-0.21004645,0.090053194,5.924375,7.816266735,8,18,15,12,2,3,0,0,0,6,10.93207,3.800632445,2.978981869,2.762974573,2.137605186,2.024738679,0.860890511,0.441365589,0.253203243,1.989439978,1.493916978,1.314765021,0.90192186,0.783323018,0.273486817,0.083923071,0.083923071,3.811772059,3.0085188,2.794146532,2.199274719,2.082600027,0.977923291,0.545672476,0.401991169,1.957882549,1.412300855,1.22747324,0.806161123,0.682662645,0.10993525,0.270913902,0.270913902,3.862952392,3.149926772,2.944768167,2.451527919,2.324156623,1.460601384,0.963720007,0.953535121,1.873665992,1.180117151,0.977203845,0.498101568,0.369849397,0.45126013,0.943918427,0.943918427,3.820086262,3.030937363,2.817868956,2.243741401,2.124567978,1.062971497,0.621114151,0.505640746,1.938619327,1.360731895,1.172002931,0.7432712,0.617333107,6.94E-04,0.399277246,0.399277246,3.889420246,3.224500232,3.025008359,2.563088883,2.434292052,1.670619542,1.207644823,1.207644823,1.849609417,1.11246322,0.904639601,0.390633335,0.264988018,0.655413836,1.133948601,1.171910778,3.816589501,3.042359773,2.866202961,2.307372677,2.181134851,1.156292388,0.647919901,0.582515195,1.934675418,1.319153661,1.099544559,0.674207407,0.552260864,0.109889444,0.52173913,0.52173913,0,0,0,4,2,2,0,0,0,0,0,0,0.083333333,0.166666667,0,0,0,0.027777778,0.055555556,0.577350269,0,0,0,0.333333333,0,0,0,0.741581624,1.093412989,1.020220057,0.359116756,0.470227868,0.36655979,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,5.309401077,2.821367205,2.158154862,1.173575314,0.807015525,0.359116756,0.159223634,0,0.663675135,0.352670901,0.215815486,0.117357531,0.073365048,0.035911676,0.031844727,0,10.70913902,17.43918427,16.62745098,16.8,11.99277246,135.3693593,0.594952168,0.96884357,0.923747277,0.933333333,0.666265136,7.52051996,1.74264,33.722,30.91733718,41.28122386,61.83467437,7.729334296,30.91733718,0,0,0,4000010.293,500001.2866,12.16144599,54,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,4,0,0,0,0,0,0,0,0,2,0,0,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.637638889,0,0,0,0,1.637638889,0,0,0,0,0,0,0,0,4.208333333,0,0,0,0,8.449074074,0,0,0,0,2.675925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.337962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.394444444,0,0,0,0,0.394444444,0,0,0,0,0,0,0,0,2.104166667,0,0,0,0,2.074074074,0,0,0,0,1.337962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.41875,0,0,0,0,0.41875,0,0,0,0,0,0,0,0,2.104166667,0,0,0,0,2.166666667,0,0,0,0,1.337962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.33333333,1.916666667,0.41875,2.166666667,0.171875,1.337962963,4.879458333,0.328703704,0.166666667,1.314814815,0.328703704,0.166666667,1.314814815,4,0.5,0,0,0.47778,0.7,0.43333,0.43333,0.7,0.04444,0.04444,0,0,0.71429,0,0,0.25,0.25,0,10,1.25,4,0.5,6,0.75,2,0.25,0,0,4.13545,0.51693,8.42549,4.29004,0.53626,1.7065,0.21331,3.78768,2.08118,0.26015,0.12632,0.01579,0.21232,0.02654,0.333333333,8,0,0,0,0,0,0,0.25,0.99107606,2.197159723,2.530493057,2.974937501,2.974937501,2.86382639,17.83936908,39.54887502,45.54887502,53.54887502,53.54887502,51.54887502,0.237672394,0.526906293,0.606843782,0.7134271,0.7134271,0.68678127,3.178848942,1.972765278,1.639431945,1.1949875,1.1949875,1.306098611,0.225638533,0.500227901,0.576117984,0.677304761,0.677304761,0.652008066,6.714395846,15.2580338,19.2580338,20.92730881,19.70595603,19.59397548,29.66949396,25.1248139,20.55839723,18.35071112,19.55622501,19.79732779,6.125,2.52,1.8,0,6,0,2.34,0.9982,0.25,3.039342743,2.309401077,0,3.532775529,5.111544834,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,3.896,10,10,11,10,5,0,0,0,0,62,2.48490665,3.020424886,3.409496184,3.852803646,4.201890189,3.595598464,0,0,0,0,5.375856944,3.469758065,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,2,0.666666667,0.5,0.222222222,0,0,0,0,0,0,0.25,0.066666667,0.071428571,0.074074074,0,0,0,0,0,0,0.462169312,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,2.22E-16,2.78E-17,-28.83492271,4000010.414,500001.3017,12.16144602,0,115.7585009,4,3.610917913,4.343805422,5.141663557,5.888877958,6.690842277,7.44132039,8.24407127,8.995288991,9.798182591,76.15497037,2.833213344,0,4.043051268,0,5.451038454,0,6.947937069,0,8.479906607,8.727292029,106.0782503,5.893236129,15.53295821,1.941619777,0,0,0,61,7,2.866,36,1.231350208,2.153884096,3.048006828,3.801921238,5.033060421,5.75809861,0,0,0,0,96.27497539,127.0230877,127.107041,80.01405079,42.56457584,5.850596706,0,0,0,0,331.391896,461.8665856,551.8270398,436.9629257,438.9140267,178.9832656,0,0,0,0,9.024660361,15.52054458,21.92874492,26.67397594,35.16229157,38.68557822,0,0,0,0,2.402651941,3.484889382,4.45845756,3.944669592,4.496520382,2.560124949,0,0,0,0,172.3376467,320.5193794,453.1807557,615.6944526,823.3403233,1064.774075,0,0,0,0,3.384809093,5.095897651,7.009292642,6.680793934,8.409724681,5.75809861,0,0,0,0,0.494081992,0.722837911,0.93508506,0.844808092,0.980014389,0.589629298,0,0,0,0,240.7763734,99.83006889,9.720575199,83.62196423,-34.67111965,-4.403997454,157.1544091,134.5011885,14.12457265,0.742224437,0.307739151,0.029964935,0.257775563,-0.106878229,-0.013575894,78.10745525,32.38470839,3.153338435,27.12682618,-11.24725358,-1.428649453,0.150215797,0.147755314,2.884434414,2.109604246,324.3983376,0,1,0,604.8962865,24.59463938,8.457207237,702.6158965,26.50690281,8.890086578,982.3420843,31.34233693,9.940790395,1.421498417,1.334421864,399.4980654,275.8168409,130.423858,1.448417958,3.06307505,2.114772904,3.795090543,3.785389562,6.367568618,0.682143545,3.1157585,2.872001084,3.327386987,8.027448053,0.160880265,4.018613761,4.41103667,4.071777981,1.971544996,4.031685661,0.765237922,0.345905161,8.48E-18,4.01E-56,3.66E-116,6.45E-198,2.19E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,0.261593628,2.871879065,0.254838737,3.746844774,0.01395851,0.197939448,0.412570178,0.296707105,0.998920709,0.105862948,0.005389794,0.002436238,5.98E-20,2.83E-58,2.58E-118,4.54E-200,1.54E-303,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844189527,2.871887516,0.838090992,4.297649877,0.043947373,0.552512531,1.225605229,0.986851732,1.155123096,0.494931795,0.056164547,0.025387482,6.23E-19,2.95E-57,2.69E-117,4.73E-199,1.61E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,2.941028572,2.871987793,3.123750221,7.651140998,0.151885467,3.634254936,4.165143577,3.812218148,1.897026341,3.645500276,0.681813322,0.308195271,7.56E-18,3.58E-56,3.26E-116,5.74E-198,1.95E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,1.244123348,2.871898203,1.25151624,4.771653016,0.064534085,0.922198585,1.784659803,1.484495067,1.274920078,0.884428422,0.121996505,0.055145003,1.35E-18,6.40E-57,5.84E-117,1.03E-198,3.49E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,3.762704777,2.872056906,4.099004012,9.550467799,0.194184354,5.612557382,5.322728253,5.065117114,2.264457356,5.62715728,1.116027066,0.504470169,1.24E-17,5.85E-56,5.34E-116,9.40E-198,3.19E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,1.696338999,2.686835266,1.514815456,5.587864036,0.087758258,1.383638377,2.335247233,2.025209977,1.498346475,1.371763877,0.2083073,0.094159439,2.31E-18,1.09E-56,9.97E-117,1.76E-198,5.96E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,4.152900762,1.992380639,0.18582572,0.655951745,0.314697035,0.589257875,0.45351132,0.222234263,6.331107121,9.416110416,17.2847691,0.483927617,1.265003458,2.568142385,1.222708234,0.03176021,0.671829412,0.319862076,0.2253605,0.170816521,0.006491846,3.822610829,3.260487051,7.182827761,0.507744118,0.402668867,3.111844286,1.486784735,0.084618344,0.664462934,0.31746876,0.330868612,0.252560869,0.046081815,4.683247364,5.015770952,10.09051715,0.496694402,0.629511296,4.103725219,1.968499074,0.181045126,0.656252745,0.31479518,0.575386083,0.442705644,0.21094687,6.253269419,9.177525905,16.89331031,0.484379117,1.229038598,3.386940511,1.62039151,0.111362403,0.661680544,0.316563439,0.391948137,0.29998696,0.079813684,5.118694425,6.045798177,11.77566836,0.492520816,0.77174878,4.31105839,2.069187744,0.201200966,0.65503199,0.314397079,0.63499245,0.489147434,0.260530971,6.5814471,10.20410087,18.58033889,0.482547985,1.384670855,4.102520715,1.969487289,0.180718805,0.656117057,0.314980544,0.57504854,0.443150533,0.210187127,6.252726809,9.177188431,16.89009832,0.484175586,1.228386199 +UMLRON0052,L,m-xylene,CC1=CC(=CC=C1)C,7929,Sandia values from independent api report ,Sandia,,C8H10,PubChem,,104,0,2.7426,7.52185476,43.8018,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1921.920348,1661.589729,1141.170918,363.21264,36.578304,0,0,4184.657049,5188.491512,7083.005766,7253.750607,5603.328987,3442.098491,1119.0148,0,0,148.486212,153.276228,257.716848,281.393604,335.801112,213.52896,241.864704,0,0,30.43545486,38.46263172,54.17148079,58.5064293,49.45470151,33.4063293,16.00606457,0,0,3360.161029,2978.619777,5482.629357,5734.825636,7859.610331,4593.676431,6657.035473,0,0,44.33333333,54,78.33333333,90,80,60,36,0,0,62.40808843,68.74581643,53.38667633,42.60486485,23.77439412,12.107088,1.016064,0,0,199.2693833,247.0710244,196.7501602,185.9936053,116.7360206,114.7366164,31.08374443,0,0,7.070772,7.298868,7.158801333,7.215220615,6.9958565,7.117632,6.718464,0,0,1.449307374,1.831553891,1.504763355,1.500164854,1.030306281,1.11354431,0.444612905,0,0,160.0076681,141.839037,152.2952599,147.0468112,163.7418819,153.1225477,184.917652,0,0,2.111111111,2.571428571,2.175925926,2.307692308,1.666666667,2,1,0,0,0.040155602,0.002342023,0.005962364,-0.043375966,0.019847947,-0.041208049,0.03635388,0,0,622.6251891,3.91E-13,229.7783436,-533.6787336,81.53425096,-889.4645559,800.5181003,0,0,1157.798126,-1.14E-13,427.2826418,-992.3983939,151.6164213,-1653.997323,1488.597591,0,0,0.121968,1.86E-15,0.045012,-0.104544,0.015972,-0.17424,0.156816,0,0,5.175896322,9.60E-15,1.910152214,-4.436482562,0.677795947,-7.394137603,6.654723843,0,0,28.11555097,4.40E-14,10.37597714,-24.09904369,3.681798341,-40.16507281,36.14856553,0,0,4.285714286,-1.238095238,3.367346939,-5.482993197,3.06122449,-7.074829932,5.224489796,0,0,0.001912172,1.12E-04,1.66E-04,-0.001112204,4.13E-04,-0.001373602,0.00100983,0,0,29.64881853,1.86E-14,6.382731767,-13.68407009,1.698630228,-29.64881853,22.2366139,0,0,55.13324411,-5.41E-15,11.86896227,-25.44611267,3.158675444,-55.13324411,41.34993308,0,0,0.005808,8.88E-17,0.001250333,-0.002680615,3.33E-04,-0.005808,0.004356,0,0,0.246471253,4.57E-16,0.053059784,-0.113755963,0.014120749,-0.246471253,0.18485344,0,0,1.33883576,2.09E-15,0.288221587,-0.617924197,0.076704132,-1.33883576,1.00412682,0,0,0.204081633,-0.058956916,0.093537415,-0.140589569,0.06377551,-0.235827664,0.145124717,0,0,0.058323684,0.086614207,-0.581644603,0.216245713,-0.718346452,0.52810639,0,0,6.28E-16,0.215277778,-0.461538462,0.057291667,-1,0.75,0,0,-9.82E-17,0.215277778,-0.461538462,0.057291667,-1,0.75,0,0,1.53E-14,0.215277778,-0.461538462,0.057291667,-1,0.75,0,0,1.86E-15,0.215277778,-0.461538462,0.057291667,-1,0.75,0,0,1.56E-15,0.215277778,-0.461538462,0.057291667,-1,0.75,0,0,-0.288888889,0.458333333,-0.688888889,0.3125,-1.155555556,0.711111111,0,0,0.988654709,0.909607297,1.742568162,0.875330631,1.461474012,0.074226096,0,0,1.111111111,0.810185185,1.495726496,0.850694444,1.944444444,0,0,0,1.111111111,0.810185185,1.495726496,0.850694444,1.944444444,0,0,0,1.111111111,0.810185185,1.495726496,0.850694444,1.944444444,0,0,0,1.111111111,0.810185185,1.495726496,0.850694444,1.944444444,0,0,0,1.111111111,0.810185185,1.495726496,0.850694444,1.944444444,0,0,0,1.444444444,0.432098765,1.854700855,0.453703704,2.333333333,0,0,0,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,31.84632567,15.8898295,21.13524663,31.79447381,3.532719313,15.88983002,-0.066666667,3.33E-16,3.70E-17,-32.07436945,42.05922378,4.673247086,3.365170843,0,11.89,12.11013444,-0.154940595,0.065427332,6.0764172,8.135950041,9,21,18,15,3,3,0,0,0,6,13.118484,3.831659838,2.978981869,2.978981869,2.23863706,2.024738679,2.024738679,0.441365589,0.441365589,2.007621523,1.493916978,1.493916978,1.114523793,0.783323018,0.783323018,0.083923071,0.083923071,3.841767027,3.0085188,3.0085188,2.307509994,2.082600027,2.082600027,0.545672476,0.545672476,1.977512166,1.412300855,1.412300855,1.005637663,0.682662645,0.682662645,0.270913902,0.270913902,3.888629994,3.149926772,3.149926772,2.594323264,2.324156623,2.324156623,0.963720007,0.963720007,1.898531894,1.180117151,1.180117151,0.648152785,0.369849397,0.369849397,0.943918427,0.943918427,3.849331676,3.030937363,3.030937363,2.357458752,2.124567978,2.124567978,0.621114151,0.621114151,1.959268094,1.360731895,1.360731895,0.93313087,0.617333107,0.617333107,0.399277246,0.399277246,3.913152,3.224500232,3.224500232,2.723590331,2.434292052,2.434292052,1.207644823,1.207644823,1.876343207,1.11246322,1.11246322,0.52431895,0.264988018,0.264988018,1.133948601,1.133948601,3.838314638,3.055466305,3.055466305,2.442311884,2.193688616,2.193688616,0.657550841,0.657550841,1.960646187,1.3069968,1.3069968,0.839638827,0.540885432,0.540885432,0.529411765,0.529411765,0,0,0,3,3,3,0,0,0,0,0,0,0.068041382,0.204124145,0,0,0,0.024056261,0.072168784,0.866025404,0,0,0,0.5,0,0,0,1,1.995781916,1.747400241,0.5,0.913675135,0.683012702,6.853371151,4.18154055,4.022621928,2.414213562,2.349335306,0.98559856,0.696923425,0,0.761485683,0.464615617,0.335218494,0.201184464,0.156622354,0.082133213,0.077435936,0,6.232050808,3.232050808,2.665063509,1.366025404,1.202350269,0.394337567,0.269337567,0,0.69245009,0.359116756,0.222088626,0.11383545,0.080156685,0.032861464,0.029926396,0,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,1.77066,37.362,36.23240609,46.59629277,72.46481219,8.051645799,36.23240609,0,0,0,50.96615924,5.662906583,3.538045681,63,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.153333333,0,0,0,0,1.153333333,0,0,0,0,0,0,0,0,6.375,0,0,0,0,6.5625,0,0,0,0,4.0625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.354166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384444444,0,0,0,0,0.384444444,0,0,0,0,0,0,0,0,2.125,0,0,0,0,2.1875,0,0,0,0,1.354166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.1875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384444444,0,0,0,0,0.384444444,0,0,0,0,0,0,0,0,2.125,0,0,0,0,2.1875,0,0,0,0,1.354166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17,1.888888889,0.384444444,2.1875,0.15625,1.354166667,5.5286875,0.3125,0.1875,1.875,0.3125,0.1875,1.875,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.33333,0.33333,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.71523,0.63503,10.39611,4.68088,0.5201,2.05974,0.22886,4.18152,2.12178,0.23575,0.23248,0.02583,0.31848,0.03539,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.128085279,2.128085279,2.128085279,2.128085279,2.128085279,20.68979086,44.68979086,44.68979086,44.68979086,44.68979086,44.68979086,0.224307135,0.484501705,0.484501705,0.484501705,0.484501705,0.484501705,3.407089287,2.264232144,2.264232144,2.264232144,2.264232144,2.264232144,0.214882485,0.464144533,0.464144533,0.464144533,0.464144533,0.464144533,6.75154531,15.36999611,15.36999611,15.36999611,15.36999611,15.36999611,33.82580122,27.57483228,27.57483228,27.57483228,27.57483228,27.57483228,7.111111111,2.722222222,2,0,6,0,2.45,1.1391,0.75,3.571652367,4.326748711,0,1.5,6.240251469,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.1,0.505,0.68,4.372,12,12,15,12,9,0,0,0,0,78,2.564949357,3.157000421,3.548179572,4.066887716,4.342993404,4.123093976,0,0,0,0,5.606950304,3.478365385,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,4,0.333333333,3,0.666666667,0.9375,0.333333333,0,0,0,0,0,0,0.333333333,0.055555556,0.104166667,0.055555556,0,0,0,0,0,0,0.548611111,19.13022188,25.95864901,38.26044376,4.251160418,19.1302219,4.44E-16,4.93E-17,-31.81545559,34.85310704,3.872567448,3.196028059,0,133.0544855,4.169925001,3.761200116,4.510859507,5.351858133,6.11146734,6.957497371,7.719129841,8.566173814,9.328212293,10.17545936,80.48185778,2.944438979,0,4.204692619,0,5.645446898,0,7.181591945,0,8.760766624,8.995660899,120.0939004,5.718757161,17.38171618,1.931301798,0,0,0,84,9,3.258,42,1.233300178,2.143634968,3.067216359,3.776833311,5.127024075,5.718497301,0,0,0,0,94.09564805,126.6104696,139.9322291,105.4882059,62.07333166,5.810359242,0,0,0,0,326.4685465,454.7366992,592.1040208,491.8880052,588.2573945,177.7523086,0,0,0,0,9.031490446,15.41341623,22.16025386,26.56261715,36.49227062,38.41951825,0,0,0,0,2.376896686,3.421507076,4.718641822,4.22132494,5.709168486,2.542517696,0,0,0,0,173.0750978,321.7128589,449.180834,607.9603435,785.0629886,1057.451094,0,0,0,0,3.265286308,4.896798955,7.171554173,6.688641514,10.25404815,5.718497301,0,0,0,0,0.489174207,0.709566469,0.986985678,0.897048767,1.230485778,0.585574124,0,0,0,0,274.1143001,119.6860576,9.372117195,99.37773861,-43.39113188,-4.660144438,174.7365615,163.0771895,14.03226163,0.733922739,0.320451429,0.025093218,0.266077261,-0.116176859,-0.012477226,102.3795088,44.70178966,3.500411158,37.1167942,-16.20624231,-1.740526847,0.142643722,0.128028164,2.739035892,1.538051605,373.4920387,0,1,0,669.1530565,25.8679929,8.746651482,786.0344264,28.03630551,9.22884154,1134.665132,33.68479081,10.43011835,1.16066906,1.059964004,538.2183018,282.8358901,265.4963621,1.902934955,2.027215354,1.065309851,4.23758103,4.355172234,6.54925274,0.50378731,3.591901278,3.871162657,3.71050078,8.942055074,0.172544558,6.025544479,6.741029973,3.856699808,8.593259789,3.704356744,5.455509777,2.556234124,1.50E-09,5.54E-40,3.94E-92,5.41E-166,1.43E-261,0,0,0,0,0,0,0,0,0,0,0,0,0,0.301552992,3.870979963,0.274666938,5.369459264,0.014936667,0.296763751,0.643055458,0.280006755,2.345294522,0.151412689,0.044659248,0.018003766,1.06E-11,3.90E-42,2.77E-94,3.81E-168,1.01E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,0.973183225,3.870992572,0.91021939,5.961449222,0.047105475,0.769769305,1.884627296,0.931978508,3.435930635,0.593856828,0.416424133,0.187613122,1.10E-10,4.06E-41,2.89E-93,3.97E-167,1.05E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390468513,3.871142741,3.47689266,8.67478775,0.162895094,5.428483271,6.366600292,3.610105358,8.145420685,3.386807209,4.865054605,2.277558583,1.34E-09,4.93E-40,3.51E-92,4.82E-166,1.28E-261,0,0,0,0,0,0,0,0,0,0,0,0,0,1.434236324,3.871008556,1.36603603,6.40858503,0.069189042,1.301236704,2.737864155,1.402728426,4.239461407,0.981546319,0.889184373,0.407520771,2.39E-10,8.83E-41,6.28E-93,8.62E-167,2.28E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,4.337716138,3.871246314,4.601866512,9.986756879,0.208273113,8.515904588,8.128641743,4.801101969,10.32559865,4.993688609,7.936009344,3.72802723,2.19E-09,8.07E-40,5.75E-92,7.89E-166,2.09E-261,0,0,0,0,0,0,0,0,0,0,0,0,0,2.013498025,3.616537559,1.643321722,7.497545882,0.096902338,2.020948544,3.200401487,1.753694292,5.49480314,1.495126495,1.55178584,0.716453163,4.21E-10,1.55E-40,1.10E-92,1.52E-166,4.01E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,3.679997233,3.47222726,0.238917897,0.497892888,0.469782217,0.536899752,0.515760681,0.285728349,7.391142389,14.48658114,24.93056546,0.451512658,1.338388783,2.312861851,2.168451909,0.042080398,0.511311146,0.479386017,0.212133953,0.201296399,0.008863711,4.523394158,5.203905164,9.938346394,0.486045745,0.422294063,2.791198338,2.624652788,0.110952785,0.505029377,0.474895225,0.308917614,0.294817858,0.061621511,5.526803911,7.926830268,14.26646613,0.469886904,0.665356982,3.63879206,3.43293517,0.232985508,0.498143074,0.469961694,0.524946495,0.504162027,0.271715105,7.304712738,14.1393472,24.35445369,0.452157152,1.300823626,3.029468599,2.851881321,0.145258544,0.502682166,0.473214966,0.363893495,0.348031781,0.105618333,6.026608464,9.494001234,16.77559775,0.463845699,0.817543609,3.812009072,3.598109055,0.257923825,0.497129397,0.469234399,0.576101298,0.55380761,0.332995904,7.668041953,15.62727037,26.8330018,0.449545694,1.462904812,3.64022838,3.434249532,0.232685385,0.498172578,0.469983959,0.525360424,0.504546525,0.271015541,7.307163297,14.14758023,24.36364884,0.452234805,1.30092249 +UMLRON0053,L,"1,3,5-trimethylbenzene",CC1=CC(=CC(=C1)C)C,7947,Sandia values for MON averaged between sources including independent api report and biocompoundML source where the MON was 120 (from co-optima database). Therefore I think we should go with UML values since they are from reliable source,"Sandia, UML",[1],C9H12,PubChem,,106,0,-0.2194,0.04813636,26.1737,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1477.025768,1132.116893,431.027017,82.888848,6.096384,0,0,3399.790734,4570.930941,6619.957195,6504.082355,3827.665667,1257.525459,186.5024666,0,0,146.842108,152.43046,299.130272,419.991476,372.001636,183.394368,40.310784,0,0,25.74688067,35.11192034,54.8202553,59.80401473,40.40094347,15.34920546,2.667677429,0,0,3476.407621,3031.276161,6474.882305,9786.999304,9259.732723,4833.801083,1109.505912,0,0,31.02777778,38,65.33333333,84.83333333,68.16666667,30.5,6,0,0,48.76541633,56.15943233,35.16728019,18.86861488,7.981981796,3.069957333,1.016064,0,0,161.8947969,217.6633782,157.6180285,108.4013726,70.88269754,46.57501701,31.08374443,0,0,6.992481333,7.258593333,7.122149333,6.999857933,6.888919185,6.792384,6.718464,0,0,1.226041937,1.671996207,1.305244174,0.996733579,0.74816562,0.568489091,0.444612905,0,0,165.54322,144.3464838,154.1638644,163.1166551,171.4765319,179.0296697,184.917652,0,0,1.477513228,1.80952381,1.555555556,1.413888889,1.262345679,1.12962963,1,0,0,0.028633867,-0.001407354,-0.00797372,-0.012604541,-0.003573366,0.007573217,0.00366883,0,0,564.9747087,5.76E-13,-161.4213453,-282.4873543,-80.71067267,161.4213453,80.71067267,0,0,1050.594596,0,-300.1698846,-525.297298,-150.0849423,300.1698846,150.0849423,0,0,0.110674667,1.58E-15,-0.031621333,-0.055337333,-0.015810667,0.031621333,0.015810667,0,0,4.696646663,7.55E-15,-1.341899046,-2.348323331,-0.670949523,1.341899046,0.670949523,0,0,25.51225921,2.26E-14,-7.289216918,-12.75612961,-3.644608459,7.289216918,3.644608459,0,0,1.661375661,-0.432539683,-0.100529101,-0.56292517,-0.195389267,0.260770975,0.199924414,0,0,0.001363517,-6.70E-05,-1.90E-04,-2.10E-04,-6.62E-05,2.80E-04,6.11E-04,0,0,26.90355756,2.74E-14,-3.843365365,-4.708122572,-1.494642086,5.978568346,13.45177878,0,0,50.0283141,0,-7.146902014,-8.754954967,-2.779350783,11.11740313,25.01415705,0,0,0.005270222,7.54E-17,-7.53E-04,-9.22E-04,-2.93E-04,0.00117116,0.002635111,0,0,0.223649841,3.60E-16,-0.031949977,-0.039138722,-0.012424991,0.049699965,0.111824921,0,0,1.214869486,1.08E-15,-0.173552784,-0.21260216,-0.067492749,0.269970997,0.607434743,0,0,0.079113127,-0.020597128,-0.00239355,-0.009382086,-0.00361832,0.009658184,0.033320736,0,0,-0.049149977,-0.139235826,-0.154068928,-0.048531417,0.205710238,0.448451667,0,0,1.02E-15,-0.142857143,-0.175,-0.055555556,0.222222222,0.5,0,0,0,-0.142857143,-0.175,-0.055555556,0.222222222,0.5,0,0,1.43E-14,-0.142857143,-0.175,-0.055555556,0.222222222,0.5,0,0,1.61E-15,-0.142857143,-0.175,-0.055555556,0.222222222,0.5,0,0,8.88E-16,-0.142857143,-0.175,-0.055555556,0.222222222,0.5,0,0,-0.260350318,-0.030254777,-0.118590764,-0.045736023,0.122080679,0.421178344,0,0,1.477163724,1.274217785,1.13324702,0.849142722,0.429331252,0.003657132,0,0,1.428571429,1.326530612,1.142857143,0.833333333,0.396825397,0,0,0,1.428571429,1.326530612,1.142857143,0.833333333,0.396825397,0,0,0,1.428571429,1.326530612,1.142857143,0.833333333,0.396825397,0,0,0,1.428571429,1.326530612,1.142857143,0.833333333,0.396825397,0,0,0,1.428571429,1.326530612,1.142857143,0.833333333,0.396825397,0,0,0,1.751592357,0.979299363,1.100716561,0.916489738,0.613057325,0,0,0,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,26.751821,13.22427373,19.43909809,26.71185501,3.815979287,13.22428042,-0.093253968,0.001166081,1.67E-04,-4.727874868,26.92918315,3.847026164,2.305247402,0,11.9,12.10010405,-0.151390191,0.048727336,5.84037006,7.811257143,7,21,21,21,7,0,0,0,0,0,15.304898,3.619709833,2.947870273,2.750129472,2.19778794,1.456797487,1.282157777,0.909056138,0.083923071,1.992782358,1.526948,1.372874417,1.089355281,0.666206401,0.569924766,0.357956204,0.083923071,3.644947749,2.986968346,2.792995694,2.266448281,1.556142907,1.390133583,1.040076644,0.270913902,1.938180965,1.443918105,1.285229005,0.975931258,0.522081792,0.419185133,0.196789634,0.270913902,3.755653422,3.160130501,2.981537655,2.554776995,1.9628467,1.827874832,1.548123573,0.943918427,1.777717199,1.194734652,1.018928274,0.609339375,0.037619229,0.092397527,0.362426509,0.943918427,3.663523346,3.015874385,2.824624264,2.316381118,1.62787375,1.467847241,1.132774638,0.399277246,1.903434383,1.390527877,1.228596505,0.900910738,0.425347018,0.317667215,0.087474289,0.399277246,3.809466638,3.244459316,3.072480534,2.686061155,2.141548494,2.018054307,1.760298992,1.207644823,1.727635969,1.116178837,0.933903671,0.484038304,0.135164289,0.2769767,0.570760117,1.207644823,3.681198327,3.12201655,2.868984444,2.470134731,1.76184368,1.610949006,1.296202187,0.646153846,1.867136902,1.270256483,1.146459064,0.71677011,0.253599829,0.137317573,0.103287959,0.646153846,0,0,0,0,0,1,5,1,0,0,0,0,0.102062073,0.102062073,0,0,0,0.102062073,0.102062073,0.288675135,0,0,0,0.288675135,0,0,0,0.40824829,0.433012702,0.40824829,0.40824829,0.433012702,0.40824829,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.5866,32.249,25.81164286,34.91599912,51.62328572,7.374755103,25.81164286,0.063309915,0.009044274,-1.931799329,26.80913824,3.829876892,2.302119966,45,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,1,0,5,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,2.360277778,0,7.437175926,0,0,0,1.03587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.360277778,0,1.486111111,0,0,0,1.03587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.360277778,0,1.490416667,0,0,0,1.03587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.83333333,1.547619048,0.2,2.360277778,0.2,1.03587963,5.044607639,0.297453704,0.360277778,0.720555556,0.297453704,0.360277778,0.720555556,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.14286,0.14286,0,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.62679,0.94668,6.62679,0,0,3.39384,0.48483,3.39384,0,0,0.02016,0.00288,0.10616,0.01517,0.285714286,7,0,0,0,0,0,0,1,0.918295834,1.301240785,2.262362377,2.629481708,2.41566147,2.297079328,19.28421252,27.3260565,47.50960993,55.21911587,50.72889087,48.23866588,0.209068641,0.296253813,0.515072605,0.598654754,0.549974248,0.522976622,3.474021589,3.091076637,2.129955045,1.762835715,1.976655953,2.095238095,0.209068641,0.296253813,0.515072605,0.598654754,0.549974248,0.522976622,6.73287657,11.32821599,14.83801525,14.16113349,13.29390227,13.17439222,27.64912502,22.75804088,20.11514464,21.30613189,22.81194905,22.78031708,5.142857143,2.34375,1.5,0,0,0,2.23,0.9863,0,1.850535862,1,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,3.395,8,8,8,8,2,0,0,0,0,48,2.079441542,2.197224577,2.197224577,2.197224577,2.197224577,1.098612289,0,0,0,0,3.891820298,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,0,3,4,0.333333333,1,0.444444444,0.1875,0.111111111,0,0,0,0,0,0,0.142857143,0.055555556,0.0375,0.111111111,0,0,0,0,0,0,0.34702381,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,0,117.2718924,3.807354922,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,71.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.388905171,98.10955045,4.671883355,13.67682532,1.953832189,0,0,0,42,5,3.922,30,1.220523193,2.086009777,2.795112973,3.520164747,4.282982798,5.172514281,0,0,0,0,78.01718708,81.31531848,56.59167441,30.17524231,13.80076908,5.255605551,0,0,0,0,287.7972294,350.2878403,318.299832,258.2859895,204.3991055,160.781112,0,0,0,0,8.889594735,14.90063589,19.61743961,24.28142782,29.11513643,34.75135099,0,0,0,0,2.16080321,2.850202542,2.892515813,2.695811098,2.474164722,2.2997666,0,0,0,0,174.2909705,318.5132428,451.9308122,601.2064839,764.9113221,956.489196,0,0,0,0,2.257719183,3.318228363,4.028833779,4.510597636,4.884513348,5.172514281,0,0,0,0,0.447249296,0.599087964,0.619984824,0.591387275,0.555805592,0.529665462,0,0,0,0,314.1330854,114.3742458,8.142541554,80.35130448,-29.255498,-4.270193301,233.7817809,143.6297439,12.41273486,0.796313095,0.289933515,0.020640973,0.203686905,-0.074161358,-0.010824746,123.9205985,45.11885459,3.212105537,31.69733532,-11.54083728,-1.684524599,0.081388859,0.171156848,1.42058525,1.421020146,394.4843899,0,1,0,496.6404669,22.28543172,7.919188876,632.2589721,25.14476033,8.582852854,790.8053427,28.1212614,9.247475689,1.427238702,1.217989365,271.952974,197.3815574,114.0262834,1.377803365,2.385002527,1.731018074,3.422933651,3.651473827,5.904977379,0.617149036,3.905229045,4.796804889,7.969768476,9.568090312,15.54889678,6.287160949,7.273722887,3.307207976,4.049061661,0.001465238,0.405380218,4.20E-16,8.41E-53,3.25E-111,2.42E-191,3.47E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.328306635,4.623824884,0.556474761,3.180278409,0.887608374,1.147577891,0.793745194,0.096819953,0.106819862,1.03E-05,0.002855126,2.96E-18,5.92E-55,2.29E-113,1.70E-193,2.44E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.058432573,4.635384542,1.846003496,3.788619827,3.120744162,2.047871652,1.332886012,0.431635473,0.498351173,1.08E-04,0.029752614,3.09E-17,6.17E-54,2.38E-112,1.77E-192,2.54E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.686252354,4.777813479,7.436800468,8.930971495,14.38264108,5.919877179,6.599825449,2.997290473,3.661556605,0.001305501,0.361186476,3.75E-16,7.49E-53,2.89E-111,2.15E-191,3.09E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559641195,4.650371529,2.797640528,4.412749493,4.879246726,2.710078294,1.935644696,0.756636873,0.889802172,2.34E-04,0.064626654,6.70E-17,1.34E-53,5.17E-112,3.85E-192,5.53E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.716001246,4.876661026,10.03295697,12.20643893,20.17210776,7.706818676,10.08359911,4.583427298,5.649776527,0.002136912,0.59120895,6.13E-16,1.23E-52,4.73E-111,3.52E-191,5.06E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.601157949,4.481400369,4.760347268,6.279492012,8.680432559,4.333192323,3.937932429,1.739735242,2.084171635,6.12E-04,0.169252238,1.76E-16,3.51E-53,1.35E-111,1.01E-191,1.45E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.492100299,1.499463431,0.652442375,0.536627266,0.322881451,0.490173101,0.510450923,0.426935834,4.644006105,6.341078585,13.42314001,0.304940899,1.427559857,1.814781084,0.961300188,0.201585061,0.609464218,0.322836772,0.259632649,0.209085157,0.040822809,2.977666333,2.30416591,5.633507339,0.414196327,0.509540615,2.083545391,1.17518317,0.380753843,0.572483985,0.322898434,0.342319875,0.312954545,0.145579104,3.639482403,3.689320898,8.261097161,0.358725978,0.800853524,2.475309084,1.486152987,0.641290156,0.537788906,0.322883552,0.483568015,0.501394605,0.412490795,4.602752227,6.219134619,13.18099324,0.306683359,1.397453415,2.203455229,1.270454847,0.460570989,0.560037065,0.322902773,0.382937441,0.365972608,0.212949252,3.934481065,4.399372577,9.623171637,0.340055598,0.961859301,2.544675452,1.541131368,0.687354163,0.533121649,0.322874375,0.511147934,0.539327428,0.473754233,4.773160982,6.730075484,14.19881896,0.299682473,1.524229594,2.485740309,1.48801285,0.643571906,0.538350728,0.322267293,0.487582727,0.502657118,0.415300208,4.617325064,6.256209415,13.25398695,0.307526092,1.405540053 +UMLRON0054,L,Methylcyclohexane,CC1CCCCC1,7962,[9] has RON of 73.8,"Sandia, UML",[9],C7H14,PubChem,,73.9,0,-1.0582,1.11978724,23.1792,18.02993,0,0,17,7,10,0,6,0,1,0,0,0,0,0,0,0,1131.713367,1178.819595,1497.134784,1140.027093,393.999861,40.382496,0,0,0,3068.329632,3991.197076,5596.711464,4996.13647,2275.490099,412.6972167,0,0,0,125.779452,126.4533,241.255824,330.422052,226.5903,72.690048,0,0,0,21.82273305,29.2081831,43.90603072,42.56914462,21.72766152,4.626439211,0,0,0,2795.393943,2445.334942,5054.492008,7448.940219,5383.988345,1849.70977,0,0,0,73.02777778,40.66666667,70.66666667,102.6666667,69.83333333,22,0,0,0,66.57137453,69.34232912,45.36772073,25.3339354,12.70967294,4.0382496,0,0,0,180.4899783,234.7762986,169.5973171,111.0252549,73.40290643,41.26972167,0,0,0,7.398791294,7.438429412,7.310782545,7.342712267,7.309364516,7.2690048,0,0,0,1.283690179,1.718128418,1.33048578,0.945980992,0.700892307,0.462643921,0,0,0,164.4349378,143.8432319,153.1664245,165.5320049,173.6770434,184.970977,0,0,0,4.295751634,2.392156863,2.141414141,2.281481481,2.252688172,2.2,0,0,0,0.123334468,-0.040764581,-0.007829247,-0.004284787,-3.18E-04,-0.008470167,0,0,0,565.0991891,3.34E-13,-119.9209141,-181.7805977,-65.05147217,84.20338949,0,0,0,855.8123209,-1.56E-13,-334.5568135,-289.6768837,-37.33973879,233.6672756,0,0,0,1.038128471,4.94E-16,0.059946145,-0.235750422,-0.231604152,-0.111655806,0,0,0,3.828753554,6.11E-16,-1.811359666,-1.274544484,-0.041206844,1.212734218,0,0,0,21.25720683,4.71E-14,-10.35895071,-6.985079633,-0.107861082,6.82328801,0,0,0,32.75163399,0.903594771,1.085063437,-7.492887351,-7.308535179,-3.563052672,0,0,0,0.007254969,-0.002397917,-2.37E-04,-9.52E-05,-1.03E-05,-8.47E-04,0,0,0,33.24112877,1.96E-14,-3.633967094,-4.039568839,-2.098434586,8.420338949,0,0,0,50.34190123,-9.20E-15,-10.13808526,-6.437264083,-1.204507703,23.36672756,0,0,0,0.061066381,2.91E-17,0.00181655,-0.005238898,-0.007471102,-0.011165581,0,0,0,0.225220797,3.59E-17,-0.054889687,-0.028323211,-0.001329253,0.121273422,0,0,0,1.250423931,2.77E-15,-0.313907597,-0.155223992,-0.00347939,0.682328801,0,0,0,1.926566705,0.053152634,0.03288071,-0.166508608,-0.235759199,-0.356305267,0,0,0,-0.33052059,-0.032701713,-0.013124453,-0.001415945,-0.116749876,0,0,0,5.91E-16,-0.109321411,-0.121523215,-0.063127657,0.253310861,0,0,0,-1.83E-16,-0.201384632,-0.127870897,-0.023926544,0.464160609,0,0,0,4.76E-16,0.029747135,-0.085790221,-0.122343941,-0.182843334,0,0,0,1.59E-16,-0.243715001,-0.125757528,-0.005902,0.538464579,0,0,0,2.21E-15,-0.251040939,-0.124137093,-0.002782568,0.545677977,0,0,0,0.027589304,0.017066998,-0.086427637,-0.122372716,-0.184943125,0,0,0,0.997416828,0.727708198,1.030324585,1.124651488,1.380074093,0,0,0,1.021425459,1.052377745,1.054540153,0.970647551,0.636292064,0,0,0,1.256857651,1.294944246,1.018963733,0.789896384,0.156010393,0,0,0,0.481238863,0.495821859,1.13616835,1.385371454,1.73827272,0,0,0,1.329588515,1.369879076,1.007973291,0.73405785,0.007639429,0,0,0,1.333319149,1.37372276,1.007409551,0.731193686,2.89E-05,0,0,0,0.445420076,0.490992544,1.14155081,1.395755145,1.75869088,0,0,0,21.80340357,11.02670178,16.34240115,21.981975,3.140282142,11.02676795,0.25,0.10458354,0.014940506,-1.580438369,23.46090794,3.351558276,2.208734881,21.80522313,11.02724435,16.3432566,21.98326997,3.140467139,11.02731048,0.249265579,0.104534598,0.014933514,-1.580766024,23.46326972,3.351895674,2.208805345,23.42348259,11.51224405,17.16176273,23.36648338,3.338069054,11.51228109,-0.398994478,0.056286734,0.008040962,-2.014107481,26.55099267,3.792998953,2.295346995,21.80713281,11.0278138,16.34415456,21.98462909,3.140661299,11.02787988,0.2484948,0.10448322,0.014926174,-1.581110156,23.46575047,3.352250066,2.208879352,25.150007,12.03385637,18.18500505,24.99539353,3.570770505,12.03387743,-1.082294264,0.004141584,5.92E-04,-3.840673911,34.26687858,4.895268368,2.473925474,21.99403025,11.08358222,16.43274715,22.11769753,3.159671075,11.08364375,0.173134186,0.099392107,0.014198872,-1.616077801,23.71875375,3.388393393,2.216386223,21.612053,10.66522993,15.847944,21.65813779,3.094019684,10.66534547,0.772486772,0.162326877,0.023189554,-1.27270025,21.31516511,3.045023588,2.141593158,0,11.9,15.99491614,-0.299189275,0.132702954,4.199872577,6.782358849,7,17,16,16,6,1,1,0,0,1,11.89007,3.64959247,2.939260656,2.750129472,1.818050546,1.456797487,1.156417679,0.083923071,0.083923071,1.944351963,1.372874417,1.280702177,0.666206401,0.57012495,0.184344076,0.083923071,0.083923071,3.630350399,2.868845624,2.792995694,1.690088443,1.556142907,1.237330611,0.270913902,0.270913902,1.909960999,1.285229005,1.259112722,0.522081792,0.464836966,0.265163579,0.270913902,0.270913902,3.755273729,3.068358397,2.981537655,2.094646719,1.9628467,1.730552591,0.943918427,0.943918427,1.744271951,1.018928274,1.009295574,0.037619229,0.004763632,0.262390518,0.943918427,0.943918427,3.636843952,2.862451789,2.824624264,1.67775845,1.62787375,1.2984514,0.399277246,0.399277246,1.889994059,1.250198548,1.228596505,0.434477952,0.425347018,0.222763775,0.399277246,0.399277246,3.793504729,3.10578987,3.072480534,2.172636448,2.141548494,1.909179634,1.207644823,1.207644823,1.704340188,0.96530754,0.933903671,0.103341467,0.135164289,0.417516121,1.207644823,1.207644823,5.225306457,3.505131845,2.880364017,2.538845467,1.771846324,1.574921685,0.654545455,0.654545455,1.769525481,1.135482688,0.971350588,0.244000381,0.10781929,0.586308088,0.654545455,0.654545455,0,0,0,1,0,0,5,0,0,0,0,0,0.102062073,0.102062073,0,0,0,0.088388348,0.036084392,0.288675135,0,0,0,0.102062073,0,0,0,0.40824829,0.433012702,0.40824829,0.144337567,0.153093109,0.144337567,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,4.443782196,2.911230926,2.099335306,1.411230926,0.946114263,0.632392159,0.072168784,0,0.634826028,0.415890132,0.262416913,0.176403866,0.118264283,0.07904902,0.036084392,0,9.423938123,16.76984705,15.97647059,16.2,10.47301198,130.038491,0.554349301,0.986461591,0.939792388,0.952941176,0.616059528,7.649323001,1.5196,28.092,25.81164286,34.91599912,51.62328572,7.374755103,25.81164286,0.063309915,0.009044274,-1.931799329,26.80913824,3.829876892,2.302119966,45,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,2,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46305556,0.46412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.680208333,0.802777778,0,0,0,0,0,0,0,0,0,0,0,0,5.239490741,0,0,0,0,0,0,0.46412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46305556,0.46412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.265625,0.401388889,0,0,0,0,0,0,0,0,0,0,0,0,0.847222222,0,0,0,0,0,0,0.46412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46305556,0.46412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,0,0,1.269583333,0,0,0,0,0,0,0.46412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.16666667,2.30952381,0.515972222,10.46305556,0.265625,0.46412037,2.459993565,1.202546296,3.463055556,6.926111111,1.202546296,3.463055556,6.926111111,3.33333,0.47619,0,0.02381,0.5098,0.80952,0.43333,0.5098,0.80952,0.07647,0,-0.07647,0,0.58823,0.12606,0,0.1,0.15,0,5.25,0.75,3.75,0.53571,1.5,0.21429,-2.25,-0.32143,0,0,4.93047,0.70435,6.62679,1.69632,0.24233,2.70568,0.38653,3.39384,0.68816,0.09831,0.02016,0.00288,0.10616,0.01517,0.352941176,7.01,1,1,1,1,0,0,0.833333333,1.221047785,1.736041168,2.351593723,2.793345194,2.793345194,2.793345194,20.75781235,29.51269985,39.9770933,47.4868683,47.4868683,47.4868683,0.298730003,0.424723413,0.575318679,0.683393416,0.683393416,0.683393416,2.866415056,2.351421674,1.735869118,1.294117647,1.294117647,1.294117647,0.292822481,0.416324314,0.563941491,0.669879001,0.669879001,0.669879001,10.66317026,16.84309085,17.95156927,19.68997452,19.68997452,19.68997452,25.51725005,20.17718123,20.14626147,18.18212562,18.18212562,18.18212562,5.142857143,2.34375,1.5,0,1,0,2.01,0.8611,0,0,0,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.405,0.403,0.748,0.387,3.744,8,8,8,8,2,0,0,0,0,48,2.197224577,2.397895273,2.397895273,2.397895273,2.397895273,1.609437912,0,0,0,0,4.094344562,1.229166667,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,4,0.333333333,1,0.444444444,0.1875,0.111111111,0,0,0,0,0,0,0.142857143,0.055555556,0.0375,0.111111111,0,0,0,0,0,0,0.34702381,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,17.07,106.1296758,3.807354922,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,71.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.388905171,98.07316494,5.769009702,13.67682532,1.953832189,2.490696528,2.490696528,0,42,5,0.92,30,1.244469826,2.108728606,2.835007835,3.69531369,4.235300316,0,0,0,0,0,97.23481765,109.2384471,79.58539365,49.30817641,18.38643678,0,0,0,0,0,314.2360242,383.8965952,332.6772451,271.5598255,179.1146884,0,0,0,0,0,9.327083054,15.55629475,21.03621884,27.2106947,31.02018104,0,0,0,0,0,2.24593432,2.930335346,2.775905952,2.556114321,1.967092016,0,0,0,0,0,177.3715286,320.2171327,464.9822948,643.8436488,783.4302793,0,0,0,0,0,3.184182068,4.891493168,6.997292054,8.811029077,9.827187433,0,0,0,0,0,0.481592218,0.647595966,0.652469848,0.637322235,0.529129626,0,0,0,0,0,330.4970852,146.8462535,12.87381503,82.19477305,-36.52072898,-18.7240795,248.3023122,183.3669825,31.59789453,0.800832579,0.355825419,0.03119474,0.199167421,-0.088493941,-0.045370606,136.3934563,60.60225323,5.312918648,33.92111363,-15.07180751,-7.727275163,0.298523557,0.6733234,11.46294737,39.6740805,353.7690873,58.92277097,0.857223326,0.142776674,519.8922311,22.80114539,8.040895954,616.7625919,24.83470539,8.512151441,821.9518489,28.66970263,9.367322207,1.198765869,1.194066499,277.2006654,205.1668402,115.8982408,1.351098769,2.391759041,1.770232566,3.466100759,3.651473827,5.07237696,0.389131403,2.789625488,4.674753343,4.307000761,5.781813473,10.73638139,3.328258708,5.834289293,1.848391192,0.592289302,1.14E-08,4.26E-38,3.06E-89,4.24E-162,1.13E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234681862,5.006156464,0.341342538,2.450022236,0.704119056,0.646078724,1.196135099,0.159578794,0.066205713,1.28E-09,4.76E-39,3.42E-90,4.75E-163,1.27E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.756200326,4.388969183,1.115144318,2.564541622,2.327675698,0.953483543,0.989990403,0.303923386,0.114690384,2.22E-09,8.25E-39,5.93E-90,8.22E-163,2.20E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.63321367,5.005347684,4.051605865,5.479494158,10.09874659,3.323104414,5.588032898,2.157673238,0.743919572,1.44E-08,5.35E-38,3.85E-89,5.33E-162,1.43E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.114206401,4.154464122,1.656927214,2.814069302,3.536119929,1.221442823,1.211749697,0.339906329,0.113569137,2.19E-09,8.17E-39,5.87E-90,8.14E-163,2.18E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368748049,4.884427031,5.266942327,7.384348871,13.76876263,4.167517057,8.290138555,2.698647121,0.865043653,1.67E-08,6.22E-38,4.47E-89,6.20E-162,1.66E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.79293704,8.732162909,2.738586654,4.545918409,7.260053681,3.884357929,6.090160407,4.38869328,1.776155336,3.43E-08,1.28E-37,9.19E-89,1.27E-161,3.40E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.787289878,1.595364986,0.622428723,0.446255325,0.398335004,0.596067044,0.446750014,0.443072424,4.005083587,4.956841239,10.73670545,0.266885493,1.485889482,2.123796315,0.958180652,0.227479524,0.641735681,0.289528101,0.696587503,0.17003525,0.042135112,3.309456491,2.73606719,6.508440084,0.462603522,0.908757865,1.570064619,1.315057189,0.372690583,0.481938316,0.403662652,0.402563057,0.320585597,0.140275454,3.257812391,3.139982494,7.167298361,0.328401452,0.863424109,1.751395163,1.698358497,0.619397166,0.430408023,0.417374182,0.581902146,0.546041475,0.409130187,4.069150826,5.111264497,11.02281025,0.271673307,1.537073808,1.496600172,1.399214108,0.430612034,0.449912318,0.420635834,0.424093792,0.350202192,0.210683487,3.326426314,3.341036551,7.569192055,0.305822228,0.984979472,1.839896656,1.640397556,0.659242626,0.444469207,0.396275627,0.631356503,0.470608339,0.495537376,4.139536838,5.312520274,11.44175814,0.261117251,1.597502219,1.776339348,1.706583839,0.623062414,0.432621914,0.415633177,0.551188084,0.552178809,0.406084889,4.105985601,5.201550552,11.19633243,0.272382636,1.509451782 +UMLRON0055,L,cyclohexanone,C1CCC(=O)CC1,7967,,UML,[1],C6H10O,PubChem,,100.1,0,-0.8061,0.64979721,36.0853,26.352688,0,0,26,10,16,0,8,0,2,0,0,0,0,0,0,0,1682.305994,1635.790101,1887.781373,1684.787512,1516.220511,1077.848905,859.052256,520.633346,281.592025,4318.256679,5285.075779,6501.791035,6208.33636,5241.230299,4357.150654,3821.763286,3134.559747,2068.222976,194.522984,189.22686,344.824556,416.48512,345.6687,282.739756,219.227592,237.19988,186.21226,30.71141448,38.56812896,51.29106537,50.43607521,40.70563071,33.95895999,32.14918817,28.99630497,21.03814958,4343.939853,3670.756885,7358.856922,9425.885906,7577.628696,6077.949794,4833.39693,5541.704339,4616.702266,99.27777778,65,115.0833333,124.25,126.3333333,102.6666667,69.75,64,37,64.70407669,65.43160404,41.0387255,30.08549129,33.69378913,29.94024736,28.6350752,15.77676806,10.42933426,166.0867953,211.4030311,141.3432834,110.8631493,116.4717844,121.0319626,127.3921095,94.98665899,76.60085098,7.481653231,7.5690744,7.496186,7.437234286,7.681526667,7.853882111,7.3075864,7.187875152,6.89675037,1.181208249,1.542725158,1.11502316,0.9006442,0.904569571,0.943304444,1.071639606,0.878675908,0.779190725,167.0746097,146.8302754,159.9751505,168.3193912,168.3917488,168.8319387,161.113231,167.9304345,170.9889728,3.818376068,2.6,2.501811594,2.21875,2.807407407,2.851851852,2.325,1.939393939,1.37037037,0.274242812,-0.163408196,0.046194028,-0.00507897,0.022908396,-0.056575056,0.024013359,-0.010582561,0.002273876,882.3953095,-16.00761486,-51.54279203,119.0603807,-65.04631882,-374.5196223,-206.5850969,-181.101738,77.98788379,1232.223078,-150.640033,-371.3571158,153.005406,-1.680601226,-43.33796371,-320.1630339,-198.3996476,31.35458867,2.012233846,0.022008994,0.808429041,-0.285068592,-0.646946272,-1.16443271,-0.133907976,-0.171800189,0.235024852,5.44084932,-1.061852848,-2.005132993,0.235215341,-0.056804927,1.226905841,-1.282524686,-0.518639658,-0.085891934,30.33541873,-6.445201195,-11.10342427,0.329963873,-0.706699619,8.65206048,-6.748398753,-2.230235826,-0.76023225,38.76068376,-0.387409599,10.59648258,-4.764464168,-7.688362919,-17.97633136,-1.544378698,-5.651380671,3.729289941,0.0105478,-0.006536328,0.001004218,-9.07E-05,5.09E-04,-0.001571529,8.00E-04,-3.21E-04,8.42E-05,33.93828114,-0.640304595,-1.120495479,2.126078227,-1.445473751,-10.40332284,-6.886169895,-5.487931453,2.88844014,47.39319532,-6.02560132,-8.072980778,2.732239392,-0.037346694,-1.203832325,-10.67210113,-6.012110533,1.161281062,0.077393609,8.80E-04,0.017574544,-0.005090511,-0.014376584,-0.032345353,-0.004463599,-0.005206066,0.008704624,0.209263435,-0.042474114,-0.043589848,0.004200274,-0.001262332,0.034080718,-0.042750823,-0.015716353,-0.003181183,1.166746874,-0.257808048,-0.241378788,0.005892212,-0.015704436,0.240335013,-0.224946625,-0.067582904,-0.02815675,1.490795529,-0.015496384,0.230358317,-0.085079717,-0.170852509,-0.499342538,-0.05147929,-0.17125396,0.13812185,-0.619686337,0.095206391,-0.00859856,0.048263662,-0.148991189,0.075887415,-0.030402895,0.007984379,-0.018866736,-0.033015681,0.06264543,-0.042591248,-0.306536527,-0.20290273,-0.161703282,0.085108616,-0.127140643,-0.170340504,0.057650457,-7.88E-04,-0.025400953,-0.22518214,-0.126855986,0.024503118,0.011375096,0.227080046,-0.065774301,-0.185759314,-0.417933125,-0.057674002,-0.067267393,0.112472131,-0.202969591,-0.20830131,0.020071705,-0.006032261,0.162860357,-0.204291891,-0.075103198,-0.015201809,-0.220963136,-0.206881881,0.00505012,-0.01346002,0.205987278,-0.192798138,-0.057924221,-0.024132698,-0.010394708,0.154520397,-0.057070011,-0.114604925,-0.334950386,-0.034531422,-0.114874211,0.092649761,1.62911742,0.941838622,1.171292811,1.522462225,1.819909201,0.704768405,0.454131341,0.113713658,1.12464819,1.047900149,0.908440736,1.119547778,1.45539579,1.134421852,1.016995214,0.635192386,1.503536455,1.251118583,0.849722159,0.892054513,0.902739079,1.286084029,1.045820315,0.845834299,0.708875861,0.715496191,1.163841585,1.746626023,2.32396297,0.716369688,0.699425456,0.054564382,1.687517838,1.321076151,0.871344181,0.880677631,0.703191194,1.293668616,0.984749246,0.856368448,1.716599977,1.324714486,0.887713759,0.90447805,0.689425367,1.27780167,0.955702664,0.834331024,0.578335171,0.511390873,1.002987675,1.682331863,2.248484013,1.113492282,1.12383482,0.06569276,55.25501015,27.87750507,42.99146345,55.65501015,5.565501015,27.87750507,0.5,0.079034463,0.007903446,-2.53787128,94.76889079,9.476889079,4.551441199,55.27133787,27.88493451,43.00447293,55.6701628,5.56701628,27.88493451,0.498531158,0.079064363,0.007906436,-2.537493036,94.77096179,9.477096179,4.551463052,69.79556021,34.49878563,54.82005935,69.15716905,6.915716905,34.49878563,-0.797988956,0.093702787,0.009370279,-2.367627347,204.8537854,20.48537854,5.322296482,55.28847428,27.89273194,43.01812764,55.68606596,5.568606596,27.89273194,0.4969896,0.079095694,0.007909569,-2.537096848,94.77327558,9.477327558,4.551487466,85.27613614,41.55577381,67.71102509,83.54446532,8.354446532,41.55577381,-2.164588529,0.097919015,0.009791902,-2.323614518,70.59926183,7.059926183,4.257019689,56.96572591,28.65599714,44.35883959,57.2427406,5.72427406,28.65599714,0.346268372,0.081927551,0.008192755,-2.50191995,95.70107875,9.570107875,4.561229571,54.22310941,27.35372485,41.94365978,54.8950789,5.48950789,27.35372485,1.175198413,0.092514181,0.009251418,-2.380393337,74.66464822,7.466464822,4.31300673,0,11.89,15.99591866,-0.315652179,0.261472884,4.154010431,6.741478624,9,25,24,24,8,1,1,0,0,1,20.365312,3.554249029,3.314732608,2.984982004,2.665420614,2.100900782,1.925738787,1.332145321,1.332127511,1.831288111,1.77794217,1.419247498,1.268158369,0.908036702,0.726652833,0.583210038,0.390376382,3.468236664,3.336633169,2.919893468,2.665042099,2.093305616,1.903348769,1.415345389,1.368906206,1.803737387,1.716091857,1.396610332,1.20720167,0.829147556,0.669656722,0.442409734,0.383568302,3.6467059,3.487049666,3.16335971,2.902308824,2.433171806,2.263798912,1.86767144,1.832644501,1.592722036,1.506118296,1.097203463,0.902466834,0.41509447,0.247450016,0.075459898,0.131327864,3.4626387,3.357679435,2.911451684,2.687240546,2.113792314,1.932909277,1.483515699,1.433827396,1.797040892,1.675993297,1.384361486,1.164934785,0.779456823,0.625336036,0.349399773,0.310701282,3.673805731,3.553290217,3.214569521,2.987293453,2.543144088,2.37950077,2.048723173,2.008159492,1.552498639,1.443557806,1.042854904,0.819306881,0.306448376,0.133408906,0.25352181,0.299416811,4.959411175,3.497563166,3.328687141,3.108986561,2.571290744,2.369192857,1.815799003,1.659901479,1.665429834,1.593056239,1.121205564,0.93495946,0.547926195,0.317989446,0.177263718,0.217275931,0,0,1,0,0,3,4,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.40824829,0.49279928,0.348461713,0.083333333,0.100592232,0.071129449,7.819990956,4.808060412,3.389628766,2.08195123,1.379936127,0.637136847,0.420630496,0.144337567,0.781999096,0.534228935,0.376625418,0.260243904,0.197133732,0.127427369,0.105157624,0.072168784,6.852030487,3.964690378,2.324023571,1.215064813,0.60663473,0.275862422,0.167609247,0.072168784,0.685203049,0.440521153,0.258224841,0.151883102,0.086662104,0.055172484,0.041902312,0.036084392,13.76422064,25.76402039,24.50196078,24.88,15.34891497,200.5350826,0.529393102,0.990923861,0.942383107,0.956923077,0.590342883,7.712887794,2.1298,40.775,31.26412072,48.34375653,62.52824143,6.252824143,31.26412072,0.070144679,0.007014468,-2.65719533,225.9137237,22.59137237,5.420153173,107,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,1,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.57954082,-0.059305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.698843537,0.5125,0,0,0,0,0,0,0,0,0,0,4.05033494,0,4.096096466,0,0,0,0,0,0,-0.059305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.69565193,4.883888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.883888889,-0.059305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272454649,0.5125,0,0,0,0,0,0,0,0,0,0,1.973294359,0,0.559240363,0,0,0,0,0,0,-0.059305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.69565193,4.883888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.69565193,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,2.07704058,0,1.082743056,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.69565193,4.883888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.66666667,2.366666667,0.555902778,10.69565193,0.163055556,-0.059305556,3.732425274,1.725972222,3.695651927,10.31316279,1.725972222,3.695651927,10.31316279,4.66666,0.46667,0,0.03333,0.51282,0.85333,0.425,0.51282,0.85333,0.08782,0,-0.08782,0,0.54687,0.16742,0,0.28571,0.10714,0,6.75,0.675,5.25,0.525,1.5,0.15,-3.75,-0.375,0,0,8.33387,0.83339,11.45959,3.12572,0.31257,3.75049,0.37505,4.80805,1.05757,0.10576,0.10595,0.01059,0.10595,0.01059,0,9.02,2,2,2,2,0,0,0.875,1.238901257,1.979097891,3.276610872,3.642371449,3.719294526,3.411602218,32.21143267,51.45654517,85.19188266,94.70165767,96.70165767,88.70165767,0.263571353,0.421045266,0.697086032,0.774900151,0.791265232,0.725804908,3.461538462,2.721341827,1.423828846,1.058068269,0.981145192,1.2888375,0.263571353,0.421045266,0.697086032,0.774900151,0.791265232,0.725804908,11.26589917,20.45555991,23.7734781,24.14210077,24.21962577,20.52731808,36.56521118,22.92976312,19.81351138,18.59228434,18.3432431,23.97523001,10,7.111111111,7,10,3,4,2.12,1.3102,0.125,3.144379939,0.516397779,0,3.838519496,2.305269779,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,4.356,9,8,7,5,4,2,1,0,0,55,2.397895273,2.48490665,2.397895273,2.302585093,1.945910149,1.791759469,1.098612289,0.693147181,0,0,4.17438727,1.163636364,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0.666666667,8,0.888888889,0,4,8,1,1.5,0.666666667,0.375,0.16,0.111111111,0.040816327,0.03125,0,0,0,0.166666667,0.074074074,0.046875,0.022857143,0.022222222,0.010204082,0.015625,0,0,0,0.358524187,31.26412072,48.34375653,62.52824143,6.252824143,31.26412072,0.070144679,0.007014468,-2.65719533,225.9137237,22.59137237,5.420153173,26.3,161.8683304,4.321928095,3.610917913,4.262679877,4.96284463,5.638354669,6.350885717,7.03438793,7.751475318,8.43793351,9.156834104,76.20631367,2.944438979,0,4.007333185,0,5.231108617,0,6.532334292,0,7.874358825,8.183955717,144.1150298,5.54288576,18.65329825,1.865329825,5.393276528,5.393276528,0,150,8,2.413,36,1.2352,2.121667401,2.853248792,3.639885096,4.890343179,5.863531322,6.985406628,8.011018422,9.299230482,10.26805076,91.62129167,95.83301524,98.10363539,147.5333884,163.6352115,190.1133374,124.1382252,94.99833666,46.21954804,10.43299673,284.102958,319.6768094,343.1569286,480.0007918,638.3315949,814.8858996,709.4094904,659.1126694,566.395778,319.1694656,9.406569307,16.00199017,21.30978169,28.13869696,38.54313716,42.88965536,50.26798486,55.40449053,63.79993795,68.98552937,2.0225454,2.474236991,2.711971215,3.610520414,4.883718602,6.729821358,6.443217414,6.558469903,6.352318206,4.565307875,179.5630998,336.2364244,476.8901538,602.0580485,819.3674161,930.1474027,1163.145103,1357.926832,1614.179083,1898.743837,3.300023333,5.534151722,6.492588332,10.48887459,14.05661621,13.73732604,13.64849563,11.33264022,12.61460828,10.26805076,0.4520484,0.576670277,0.651823639,0.901438477,1.196163192,1.500052084,1.441463383,1.428867774,1.408437186,1.051448398,427.2275084,359.4797096,14.05928515,181.3716788,-152.6105814,-19.13716359,245.8558296,512.090291,33.19644874,0.701985013,0.590667417,0.023101058,0.298014987,-0.250757123,-0.031444609,260.0103144,218.7790591,8.556469516,110.3826563,-92.87867578,-11.64686221,0.310710899,0.375089497,2.345145302,3.461007857,562.519607,46.07958023,0.924285833,0.075714167,710.1477289,26.64859713,8.921740098,865.1403062,29.41326752,9.52859457,1215.071566,34.85787667,10.67088942,2.517026005,2.517026005,1355.361688,1286.073104,92.67644659,1.053876085,14.6246618,13.87702217,4.873193239,5.518792456,10.96548272,0.986935151,4.475634913,6.190062996,3.842323017,20.24211751,5.699531194,1.709378287,7.48250005,9.778443828,5.175867088,3.436037114,6.095683591,4.636826748,1.998165879,1.399844578,3.32286869,6.439622025,4.175908829,0.419541747,3.880724899,0.010969386,1.833488228,7.81E-13,6.63E-47,1.09E-102,3.43E-180,2.09E-279,0,0,0,0,0.392116545,6.340943917,0.340587896,7.018833213,0.103034587,1.688961535,1.897391013,0.701675188,0.322547977,0.384107585,3.970275188,0.120625693,0.476325947,0.012592274,0.026274817,1.63020073,0.222884513,0.270931216,0.027754407,9.11E-04,0.012913408,5.50E-15,4.67E-49,7.65E-105,2.42E-182,1.47E-281,0,0,0,0,1.218382569,6.059867195,0.818766825,7.136717717,0.464293613,1.514826575,2.041991552,1.703639076,0.625816063,0.665385202,4.402653745,0.505231823,0.646692782,0.109710059,0.2512574,2.128687205,0.803558267,0.293122246,0.285907195,0.002948219,0.134567662,5.73E-14,4.87E-48,7.97E-104,2.52E-181,1.53E-280,0,0,0,0,4.229749369,6.340617585,4.109772574,20.40739645,5.140206453,1.794092408,8.263350059,9.52074272,4.80389985,4.315790158,5.965427313,4.284558468,1.897365883,1.249099664,2.96259343,5.974245844,3.853877386,0.407562999,3.457946468,0.010347897,1.633605001,6.96E-13,5.91E-47,9.68E-103,3.06E-180,1.86E-279,0,0,0,0,1.788089992,5.953072815,1.076955428,7.816796681,0.934536895,1.455905551,2.212811755,2.500032865,1.020553938,0.658855697,4.69992176,0.900517555,0.794648104,0.231620465,0.538698354,2.614360251,1.269342823,0.310773681,0.619990323,0.00435124,0.292298945,1.25E-13,1.06E-47,1.73E-103,5.47E-181,3.33E-280,0,0,0,0,5.405000361,6.285574082,5.177814404,26.55507224,8.292540869,1.825548632,10.06678216,13.40633422,7.367555481,5.018362544,6.579457895,6.605766094,2.594008714,2.032716906,4.836725411,8.356797871,5.459114515,0.467164722,5.658296703,0.013277009,2.673970266,1.14E-12,9.67E-47,1.58E-102,5.00E-180,3.05E-279,0,0,0,0,2.836919372,6.278774352,3.336163596,20.53384294,2.50459926,1.752765367,9.350190247,7.741291498,3.030041775,4.439705696,5.135541416,2.580490415,1.418678828,0.523323332,1.233603317,3.990559068,2.006160478,0.481403471,1.43467914,0.008055174,0.676871796,2.88E-13,2.45E-47,4.01E-103,1.27E-180,7.71E-280,0,0,0,0,12.25039495,0.827228794,0.446274473,0.905833123,0.061167925,0.603820929,0.522155592,0.538444491,13.52389822,15.97008909,34.01647901,0.858749684,1.664421012,8.867018707,0.587104589,0.081101428,0.929922363,0.061572182,0.316648712,0.259489698,0.017782542,9.535224724,5.972610275,15.93003828,0.894883544,0.593920953,10.82740586,0.60996387,0.228378418,0.928136432,0.052286734,0.471707224,0.284070582,0.141009043,11.66574815,9.216374786,22.39040855,0.892204648,0.896786849,11.87345161,0.836645648,0.425105011,0.903941284,0.063694919,0.567230545,0.534437117,0.48857281,13.13520227,15.33699765,32.69513852,0.855911927,1.590240471,11.63047688,0.64207198,0.30183686,0.924934,0.051061896,0.544252485,0.314695733,0.246309632,12.57438572,11.17191093,26.00029459,0.887401,1.10525785,12.33772323,0.86159821,0.471148428,0.902509083,0.063026232,0.612460785,0.566429488,0.600139675,13.67046986,16.84899979,35.52785294,0.853763625,1.779029949,11.9731283,0.849409898,0.428294123,0.903575565,0.064102381,0.576795196,0.550903718,0.495930795,13.25083232,15.66191144,33.26853512,0.855363347,1.623629709 +UMLRON0056,L,"Butanoic Acid, butyl ester",CCCCOC(=O)CCC,7983,Co optima database valuese measured by NREL,Sandia,,C8H16O2,PubChem,,97,0,-0.7614,0.57972996,20.5322,16.801516,0,0,17,5,12,0,5,0,0,0,0,0,0,0,0,0,733.513373,722.34154,659.864523,478.348754,281.592025,84.835296,9.144576,0,0,2490.589442,3070.907003,3615.5635,3075.021321,2068.222976,1061.424631,279.7536999,0,0,118.324148,115.573648,211.2051,249.09716,186.21226,123.32736,60.466176,0,0,19.27985486,24.51813172,32.41201372,30.05967844,21.03814958,12.01662072,4.001516144,0,0,2852.983605,2344.647997,4800.847795,6095.657421,4616.702266,3137.747111,1664.258868,0,0,26.75,31.5,46.25,49,37,24,9,0,0,43.14784547,45.14634625,21.9954841,13.28746539,10.42933426,4.713072,1.016064,0,0,146.5052613,191.9316877,120.5187833,85.41725893,76.60085098,58.96803508,31.08374443,0,0,6.960244,7.223353,7.04017,6.919365556,6.89675037,6.85152,6.718464,0,0,1.134109109,1.532383233,1.080400457,0.834991068,0.779190725,0.66759004,0.444612905,0,0,167.822565,146.5404998,160.0282598,169.3238172,170.9889728,174.3192839,184.917652,0,0,1.573529412,1.96875,1.541666667,1.361111111,1.37037037,1.333333333,1,0,0,0.024802919,-0.004412371,-0.010659831,-5.80E-05,-2.30E-04,-0.001768141,0.004726855,0,0,427.2917965,-60.32354774,-177.2004215,-21.78350335,-23.45915745,-25.13481156,94.25554334,0,0,794.5673416,-112.1742129,-329.5117505,-40.50735467,-43.62330503,-46.73925539,175.2722077,0,0,0.083703529,-0.011816969,-0.034712346,-0.004267239,-0.004595488,-0.004923737,0.018464014,0,0,3.552085711,-0.501470924,-1.473070839,-0.181086723,-0.19501647,-0.208946218,0.783548319,0,0,19.29498596,-2.723998018,-8.001744177,-0.983665951,-1.059332562,-1.134999174,4.256246903,0,0,2.029411765,-0.704152249,-0.566608997,0.055363322,0.291522491,-0.472318339,0.381487889,0,0,0.001458995,-2.76E-04,-3.55E-04,-1.61E-06,-8.52E-06,-9.82E-05,5.25E-04,0,0,25.13481156,-3.770221734,-5.906680716,-0.605097315,-0.868857683,-1.39637842,10.47283815,0,0,46.73925539,-7.010888308,-10.98372502,-1.125204296,-1.615677964,-2.596625299,19.47468974,0,0,0.004923737,-7.39E-04,-0.001157078,-1.19E-04,-1.70E-04,-2.74E-04,0.002051557,0,0,0.208946218,-0.031341933,-0.049102361,-0.005030187,-0.007222832,-0.011608123,0.087060924,0,0,1.134999174,-0.170249876,-0.266724806,-0.027324054,-0.039234539,-0.06305551,0.472916323,0,0,0.119377163,-0.044009516,-0.018886967,0.00153787,0.010797129,-0.026239908,0.042387543,0,0,-0.189015802,-0.243542731,-0.001104782,-0.005837242,-0.06732718,0.359977965,0,0,-0.15,-0.235,-0.024074074,-0.034567901,-0.055555556,0.416666667,0,0,-0.15,-0.235,-0.024074074,-0.034567901,-0.055555556,0.416666667,0,0,-0.15,-0.235,-0.024074074,-0.034567901,-0.055555556,0.416666667,0,0,-0.15,-0.235,-0.024074074,-0.034567901,-0.055555556,0.416666667,0,0,-0.15,-0.235,-0.024074074,-0.034567901,-0.055555556,0.416666667,0,0,-0.36865942,-0.15821256,0.012882448,0.090445518,-0.219806763,0.355072464,0,0,1.737649235,1.320475875,0.854935481,0.842596687,0.83641934,0,0,0,1.7,1.36,0.881481481,0.839506173,0.755555556,0,0,0,1.7,1.36,0.881481481,0.839506173,0.755555556,0,0,0,1.7,1.36,0.881481481,0.839506173,0.755555556,0,0,0,1.7,1.36,0.881481481,0.839506173,0.755555556,0,0,0,1.7,1.36,0.881481481,0.839506173,0.755555556,0,0,0,1.971014493,1.051207729,0.766505636,0.803005904,1.314009662,0,0,0,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,19.1627681,9.531384049,15.75236883,19.1027681,3.82055362,9.53153419,-0.1,1.11E-16,2.22E-17,-18.36840028,2000004.099,400000.8197,7.254329894,0,11.89,12.11005553,-0.170508481,0.049754285,4.958848989,6.384508432,4,16,16,16,4,0,0,0,0,0,13.118484,3.39394298,2.902564078,2.234828892,1.598026915,1.187258543,0.083923071,0.083923071,0.083923071,1.865929755,1.563026335,1.144444036,0.769718516,0.553887413,0.083923071,0.083923071,0.083923071,3.426706868,2.950308951,2.305078211,1.695309721,1.307890993,0.270913902,0.270913902,0.270913902,1.798813498,1.473453684,1.029023966,0.630337185,0.399096902,0.270913902,0.270913902,0.270913902,3.569283482,3.155598408,2.599681189,2.090117344,1.782051108,0.943918427,0.943918427,0.943918427,1.597427488,1.195492746,0.655367741,0.162386152,0.13353473,0.943918427,0.943918427,0.943918427,3.450769146,2.985267979,2.356141543,1.765276817,1.393671185,0.399277246,0.399277246,0.399277246,1.755722936,1.415133181,0.952630191,0.536857124,0.294397011,0.399277246,0.399277246,0.399277246,3.637744659,3.252217518,2.733638931,2.26277616,1.982670235,1.207644823,1.207644823,1.207644823,1.533404227,1.104407163,0.527456807,0.004703131,0.329741677,1.207644823,1.207644823,1.207644823,3.456167551,3.088017591,2.468817839,1.859415276,1.495457506,0.588235294,0.588235294,0.588235294,1.734780343,1.300863664,0.816419181,0.411275086,0.16336102,0.588235294,0.588235294,0.588235294,0,0,0,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,8.250966823,16.32702112,15.35294118,15.56,9.791326946,131.4268359,0.48535099,0.960413007,0.903114187,0.915294118,0.575960409,7.730990349,2.1965,25.199,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,4.423611111,0,4.076388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.211805556,0,1.34375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.211805556,0,1.388888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.5,1.7,0.2,2.211805556,0.2,1.34375,3.875819444,0.15625,0.211805556,0.847222222,0.15625,0.211805556,0.847222222,2.5,0.5,0,0,0.41765,0.7,0.41765,0.41765,0.7,0,0,0,0,0.71429,0,0,0.4,0,0,2,0.4,2,0.4,0,0,-2,-0.4,0,0,4.09272,0.81854,4.09272,0,0,2.41421,0.48284,2.41421,0,0,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4,0,0,0,0,0,0,1,0.873981048,1.159554752,2.027489311,2.116299606,1.540007324,1.384692888,14.85767782,19.71243079,34.46731829,35.9770933,26.18012451,23.53977909,0.213819937,0.283685699,0.496026359,0.517753846,0.376763627,0.338765866,3.213481793,2.927908089,2.05997353,1.971163236,2.547455517,2.702769954,0.218495262,0.289888688,0.506872328,0.529074901,0.385001831,0.346173222,6.588780814,10.01566527,12.67169764,10.17480877,9.537453639,5.388226008,19.83472123,16.56436327,16.52370694,19.10355758,13.94714955,9.505207406,5,4,4,5,0,5,2.01,0.8131,0.25,3.301927249,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,2.269,3,2,1,0,0,0,0,0,0,15,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,0,0,2.772588722,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.5,4,1,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,0,95.03638183,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,72.09390038,4.24081767,8.849873734,1.769974747,0,0,0,20,2,3.185,14,1.2155,2.092697052,2.823121705,3.533912901,4.841113572,5.71185753,0,0,0,0,65.03495578,52.13174453,45.54109359,47.32919517,24.7140772,5.803612809,0,0,0,0,257.0304509,271.1018315,263.1097111,312.9939119,299.7831028,177.5459197,0,0,0,0,8.812494779,14.78166705,19.58010244,24.51829235,33.23728001,38.37490919,0,0,0,0,1.991404788,2.380722688,2.488409701,3.049449287,3.346326501,2.539565568,0,0,0,0,176.0959978,331.2997,474.7789493,593.0408367,838.4596352,1056.223283,0,0,0,0,2.46028125,3.320514809,3.949024734,5.174637486,6.625907833,5.71185753,0,0,0,0,0.414511875,0.507115079,0.538050516,0.66187002,0.74131772,0.584894211,0,0,0,0,342.5156733,101.0040335,8.289209607,159.5704575,-47.05553962,-9.58566614,182.9452158,148.0595731,17.87487575,0.682185092,0.201168738,0.016509537,0.317814908,-0.093720055,-0.019091677,171.9723692,50.71272439,4.161897179,80.11811361,-23.62593382,-4.812830024,0.089474877,0.22098478,1.95165641,14.67771004,502.0861309,0,1,0,248.3262766,15.75837163,6.285515363,364.5707096,19.09373482,7.143766615,343.5942835,18.53629638,7.004040413,1.91052409,1.91052409,262.2128483,247.8268546,31.1153899,1.058048566,8.427111122,7.964767771,3.319965475,3.220194404,6.42424645,0.994987148,3.346806641,3.794149359,1.817417009,10.98166136,5.542274002,0.143483173,1.978639402,8.390983759,1.622394608,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.28087429,3.79390147,0.118895535,3.082253751,0.04176018,0.001163757,0.277851465,0.333435168,0.940624858,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0.906696446,3.793918507,0.405967517,3.73400432,0.413773867,0.010874038,0.624992159,1.320674985,0.98758703,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.15911246,3.79412231,1.692338752,10.15820608,4.939943017,0.127928578,1.87450905,7.665112602,1.548039291,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336303737,3.793940168,0.620739546,4.466658491,0.892065326,0.023282332,0.863301197,2.193602889,1.047201643,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041753714,3.79426299,2.304478409,14.41643027,8.073995966,0.208843306,2.364197824,11.34265074,1.934734008,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.026613018,3.446103369,0.912695501,5.76105827,1.924229325,0.049945048,1.21713962,3.521030779,1.535757028,1.652095205,0.056249377,0.389865242,2.78E-15,3.82E-51,1.01E-108,5.17E-188,5.10E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.05573004,0.731531522,0.488220724,0.768788486,0.138666284,0.565615215,0.515061766,0.588213455,5.275482286,5.304134674,12.02811628,0.653182729,1.668890436,3.321390012,0.316307643,0.115953352,0.884842519,0.084266663,0.37933486,0.096296964,0.033179448,3.753651008,1.472384285,5.347853687,0.827263778,0.508811272,3.630227242,0.490936001,0.272515734,0.826238617,0.111736885,0.453159019,0.231975961,0.183267602,4.393678977,2.90529107,7.784650106,0.739357926,0.868402582,4.039189805,0.722179042,0.479835793,0.770660579,0.137788751,0.561011195,0.501976035,0.568182452,5.24120464,5.201693423,11.84258782,0.655990869,1.631169682,3.7602957,0.564481671,0.338452822,0.806371452,0.121049497,0.486213486,0.306685266,0.282682429,4.663230194,3.586351107,8.967987353,0.709557177,1.075581181,4.107027869,0.760537273,0.514225718,0.763134053,0.141316765,0.58001377,0.556716673,0.65254448,5.38179086,5.626574954,12.61457441,0.644701079,1.789274924,4.054481876,0.722580953,0.480551188,0.771163852,0.137435147,0.565267129,0.502534916,0.569877939,5.257614018,5.225314597,11.89079529,0.656745778,1.637679984 +UMLRON0057,L,Pentane,CCCCC,8003,"Co optima database mon values measured api report, Because UML has more reliable source use there data ","Sandia, UML",[1],C5H12,PubChem,,61.8,0,0.7264,0.52765696,23.4093,15.46793,0,0,15,5,10,0,5,0,0,0,0,0,0,0,0,0,731.481245,698.127364,620.495067,448.038194,253.313593,67.647888,6.096384,0,0,2428.421953,2841.433771,3178.102417,2659.045622,1714.414766,791.2692929,186.5024666,0,0,104.88722,101.338384,169.696812,194.551112,145.10314,82.617408,40.310784,0,0,18.39062905,22.2910431,27.73754208,25.16491239,17.03260934,8.680011884,2.667677429,0,0,2483.148301,2038.402901,3786.727196,4679.906413,3570.786562,2060.036303,1109.505912,0,0,31.5,34.25,43.5,45.5,35,20,6,0,0,48.76541633,49.86624029,25.85396112,16.00136407,12.06255205,5.637324,1.016064,0,0,161.8947969,202.9595551,132.4209341,94.96591507,81.63879838,65.93910774,31.08374443,0,0,6.992481333,7.238456,7.0707005,6.948254,6.909673333,6.884784,6.718464,0,0,1.226041937,1.592217364,1.15573092,0.898746871,0.811076635,0.723334324,0.444612905,0,0,165.54322,145.6002072,157.7802998,167.1395148,170.0374553,171.6696919,184.917652,0,0,2.1,2.446428571,1.8125,1.625,1.666666667,1.666666667,1,0,0,0.040801794,-0.007684701,-0.018510288,0.003444604,-5.48E-04,-0.004435967,0.007333777,0,0,403.5533633,-53.80711511,-161.4213453,-26.90355756,-3.55E-15,-40.35533633,80.71067267,0,0,750.4247115,-100.0566282,-300.1698846,-50.0283141,-9.24E-14,-75.04247115,150.0849423,0,0,0.079053333,-0.010540444,-0.031621333,-0.005270222,-4.59E-16,-0.007905333,0.015810667,0,0,3.354747616,-0.447299682,-1.341899046,-0.223649841,5.27E-16,-0.335474762,0.670949523,0,0,18.22304229,-2.429738973,-7.289216918,-1.214869486,-2.49E-14,-1.822304229,3.644608459,0,0,4.833333333,-0.861111111,-1.166666667,-0.055555556,0.333333333,-1.333333333,0.666666667,0,0,0.00272012,-5.49E-04,-7.71E-04,1.23E-04,-2.61E-05,-3.70E-04,0.001222296,0,0,26.90355756,-3.843365365,-6.725889389,-0.960841341,-1.69E-16,-3.362944694,13.45177878,0,0,50.0283141,-7.146902014,-12.50707852,-1.786725503,-4.40E-15,-6.253539262,25.01415705,0,0,0.005270222,-7.53E-04,-0.001317556,-1.88E-04,-2.18E-17,-6.59E-04,0.002635111,0,0,0.223649841,-0.031949977,-0.05591246,-0.007987494,2.51E-17,-0.02795623,0.111824921,0,0,1.214869486,-0.173552784,-0.303717372,-0.043388196,-1.18E-15,-0.151858686,0.607434743,0,0,0.322222222,-0.061507937,-0.048611111,-0.001984127,0.015873016,-0.111111111,0.111111111,0,0,-0.201795263,-0.283539745,0.045226532,-0.009599047,-0.135899861,0.449353832,0,0,-0.142857143,-0.25,-0.035714286,-6.29E-18,-0.125,0.5,0,0,-0.142857143,-0.25,-0.035714286,-8.79E-17,-0.125,0.5,0,0,-0.142857143,-0.25,-0.035714286,-4.15E-15,-0.125,0.5,0,0,-0.142857143,-0.25,-0.035714286,1.12E-16,-0.125,0.5,0,0,-0.142857143,-0.25,-0.035714286,-9.75E-16,-0.125,0.5,0,0,-0.1908867,-0.150862069,-0.006157635,0.049261084,-0.344827586,0.344827586,0,0,1.452236024,1.196521654,0.759852477,0.940778679,1.165157117,0.156344826,0,0,1.5,1.3125,0.9,0.8,0.875,0,0,0,1.5,1.3125,0.9,0.8,0.875,0,0,0,1.5,1.3125,0.9,0.8,0.875,0,0,0,1.5,1.3125,0.9,0.8,0.875,0,0,0,1.5,1.3125,0.9,0.8,0.875,0,0,0,1.5,0.890086207,0.814655172,0.931034483,1.689655172,0,0,0,14.83761862,7.418809311,12.35224229,14.83761862,2.967523724,7.420267565,-1.78E-15,0.09494679,0.018989358,-1.177219322,16.9738535,3.3947707,1.415837065,14.83761862,7.418809311,12.35224229,14.83761862,2.967523724,7.420267565,-1.78E-15,0.09494679,0.018989358,-1.177219322,16.9738535,3.3947707,1.415837065,14.83761862,7.418809311,12.35224229,14.83761862,2.967523724,7.420267565,-1.78E-15,0.09494679,0.018989358,-1.177219322,16.9738535,3.3947707,1.415837065,14.83761862,7.418809311,12.35224229,14.83761862,2.967523724,7.420267565,-1.78E-15,0.09494679,0.018989358,-1.177219322,16.9738535,3.3947707,1.415837065,14.83761862,7.418809311,12.35224229,14.83761862,2.967523724,7.420267565,-1.78E-15,0.09494679,0.018989358,-1.177219322,16.9738535,3.3947707,1.415837065,14.83761862,7.418809311,12.35224229,14.83761862,2.967523724,7.420267565,-1.78E-15,0.09494679,0.018989358,-1.177219322,16.9738535,3.3947707,1.415837065,21.09638642,10.38152654,17.7246949,20.89638642,4.179277284,10.38159712,-0.333333333,0.141184877,0.028236975,-0.97884253,11.93431729,2.386863459,1.239709028,0,11.79,12.21002884,-0.306952295,0.113242718,4.962581409,6.553256873,4,14,13,13,3,1,1,0,0,1,10.93207,3.424382986,2.923130113,2.151880755,1.408858089,0.91409933,0.083923071,0.083923071,0.083923071,1.841280147,1.502884653,1.056771571,0.65178922,0.35001033,0.083923071,0.083923071,0.083923071,3.451819021,2.963581857,2.220635348,1.513051785,1.0416878,0.270913902,0.270913902,0.270913902,1.779222966,1.421778179,0.94075859,0.505648208,0.188798359,0.270913902,0.270913902,0.270913902,3.573816307,3.14009509,2.511589032,1.934638334,1.542298826,0.943918427,0.943918427,0.943918427,1.598408593,1.174896333,0.566973211,0.011454745,0.368887427,0.943918427,0.943918427,0.943918427,3.472108455,2.993340828,2.2707801,1.587949745,1.132407503,0.399277246,0.399277246,0.399277246,1.739837574,1.369360172,0.864090473,0.407370093,0.079542091,0.399277246,0.399277246,0.399277246,3.633931817,3.22465886,2.644984431,2.11794573,1.753184938,1.207644823,1.207644823,1.207644823,1.542710228,1.095678251,0.439919511,0.166337154,0.575489175,1.207644823,1.207644823,1.207644823,3.516739676,3.054405915,2.304220154,1.605960139,1.214076205,0.5,0.5,0.5,1.789511559,1.26962081,0.785255433,0.366696594,0.015682308,0.5,0.5,0.5,0,0,1,1,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,3.698670613,2.023603362,1.077350269,0.49279928,0.204124145,0,0,0,0.739734123,0.505900841,0.359116756,0.24639964,0.204124145,0,0,0,7.709139019,14.43918427,13.62745098,13.8,8.992772455,115.1412754,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.89869,24.835,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,3,1,0,2,0,0,0,0,0,0,0,0,1,1,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.480972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0.344097222,0,0,0.759305556,0.290277778,0,0.740694444,0,0,0,0,0,0,0,0,2.140555556,3.550416667,2.378472222,0,1.930555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.930555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0.344097222,0,0,0.225625,0.290277778,0,0.344097222,0,0,0,0,0,0,0,0,2.140555556,3.550416667,1.152777778,0,1.930555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.550416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0.344097222,0,0,0.290277778,0.290277778,0,0.396597222,0,0,0,0,0,0,0,0,2.140555556,3.550416667,1.225694444,0,1.930555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,2,0.396597222,3.550416667,0.225625,1.152777778,3.740731667,0.347222222,0.550416667,1.381944444,0.347222222,0.550416667,1.381944444,2.5,0.5,0,0,0.43333,0.7,0.41765,0.41765,0.7,0.01569,0.01569,0,0,0.71429,0,0,0.4,0,0,3,0.6,2,0.4,1,0.2,-1,-0.2,0,0,3.03087,0.60617,4.09272,1.06185,0.21237,1.84933,0.36987,2.41421,0.56488,0.11298,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4,0,0,0,0,0,0,0.6,0.918295834,2.279799132,3.189898095,3.189898095,2.929438722,2.020934564,13.77443751,34.19698698,47.84847143,47.84847143,43.94158084,30.31401845,0.235045188,0.583532883,0.816480016,0.816480016,0.749813349,0.517274419,2.988594762,1.627091464,0.7169925,0.7169925,0.977451873,1.885956032,0.235045188,0.583532883,0.816480016,0.816480016,0.749813349,0.517274419,6.73287657,16.61271364,17.52993415,17.52993415,14.40442168,7.762778442,19.74937501,12.79875458,11.7929099,11.7929099,10.23015366,6.329470357,5,4,4,5,2,5,2.01,0.7701,0.25,3.301927249,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,2.162,3,2,1,0,0,0,0,0,0,15,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,0,0,2.995732274,1.266666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.5,3,0.75,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,0,92.39992313,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,70.07825032,4.671883355,8.849873734,1.769974747,0,0,0,20,2,2.819,14,1.212428571,2.115585241,2.8678493,3.588216882,4.939252652,5.88270204,0,0,0,0,70.18493327,61.40616032,54.99274713,55.14348712,30.02727022,5.977201766,0,0,0,0,268.7976717,299.8307382,296.6233806,337.8352264,342.1557333,182.8564068,0,0,0,0,8.807231678,15.0053697,19.97460842,24.93960697,34.0842579,39.52272188,0,0,0,0,2.053742327,2.566760438,2.720378615,3.217931091,3.70440015,2.615525242,0,0,0,0,174.5923113,330.4085046,475.9771078,598.9623097,841.6615888,1087.815449,0,0,0,0,3.048053571,3.960909524,4.843394629,6.537698351,8.530187633,5.88270204,0,0,0,0,0.426432857,0.54429098,0.585007915,0.695983865,0.816047799,0.602388689,0,0,0,0,305.9036835,105.9906939,9.921544864,187.6226546,-65.00822457,-12.10893677,118.2810289,170.9989185,22.03048163,0.61983254,0.214761981,0.020103375,0.38016746,-0.131721895,-0.024535543,150.9715247,52.30919902,4.896543705,92.59672167,-32.08327101,-5.976079222,0.163441145,0.296205898,3.633731167,7.638526358,493.5263381,0,1,0,268.9762393,16.40049509,6.45512474,366.483537,19.14375974,7.156238785,365.6309874,19.12147974,7.150685297,2.008938157,2.008938157,248.9038092,234.2462343,24.68688957,1.062573364,10.08242892,9.488689682,3.181925663,3.477616438,6.522108179,0.875453575,3.03399221,2.966362138,2.534510162,8.036998003,4.557334177,1.012221984,2.804470959,4.939437359,1.040165523,0.660501497,0.648627375,1.904596213,2.41E-10,5.90E-42,2.78E-95,2.53E-170,4.43E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0.25463265,2.966216742,0.162147541,2.907480813,0.034837854,0.084666835,0.254618062,0.188302531,0.788243434,0.055423534,0.035200744,0.013414227,1.70E-12,4.15E-44,1.96E-97,1.78E-172,3.12E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0.82195919,2.96622678,0.556745036,3.36359461,0.341522587,0.266378334,0.766129826,0.75693306,0.839343022,0.178919051,0.126306161,0.139786586,1.77E-11,4.33E-43,2.04E-96,1.85E-171,3.25E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,2.863841809,2.966346289,2.357559811,7.51392117,4.062389478,0.952741211,2.645198361,4.506653022,1.024628738,0.623454177,0.599007543,1.696960936,2.15E-10,5.25E-42,2.48E-95,2.25E-170,3.95E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.211411074,2.966239502,0.854243467,3.852161787,0.735089753,0.393380794,1.119929274,1.26639796,0.874517217,0.263698947,0.198974555,0.303635145,3.85E-11,9.40E-43,4.43E-96,4.03E-171,7.06E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,3.663982558,2.96642871,3.225688815,10.21107831,6.637505897,1.235514197,3.397787755,6.702986174,1.097821019,0.797676588,0.84604765,2.777674579,3.52E-10,8.60E-42,4.05E-95,3.69E-170,6.46E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.557836958,2.099483848,1.127371719,3.875183707,1.150772254,0.37587372,1.876959301,1.666024962,1.295524671,0.495325359,0.261768053,0.476149053,6.03E-11,1.47E-42,6.95E-96,6.32E-171,1.11E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,4.011491495,0.773978241,0.33171481,0.783925508,0.151250797,0.520419933,0.508083785,0.399986227,5.117184546,4.692218316,10.83931337,0.675888262,1.428489944,3.308115299,0.281621611,0.071512482,0.9035482,0.076919538,0.353910775,0.067270119,0.018589984,3.661249392,1.188347756,4.916220805,0.8553223,0.439770879,3.587473248,0.477169929,0.174856401,0.846202053,0.112553362,0.416211227,0.193121902,0.111142045,4.239499577,2.42256323,6.961388001,0.76930308,0.720475174,3.994077859,0.761788902,0.325272933,0.786059447,0.14992481,0.515911246,0.492206596,0.38460167,5.081139694,4.589598919,10.66042841,0.679089171,1.392719512,3.711994691,0.564333755,0.220921039,0.82539221,0.1254842,0.445607871,0.270119075,0.177414645,4.497249485,3.039534827,7.999570567,0.738088315,0.893141591,4.06600895,0.8121398,0.351882605,0.777434909,0.155283926,0.534662279,0.559420574,0.450101967,5.230031355,5.018703388,11.41071012,0.666152363,1.544184821,4.021549993,0.759455956,0.324503618,0.787688269,0.148752234,0.523037716,0.489189962,0.382784551,5.105509568,4.605643826,10.70224913,0.681532403,1.395012228 +UMLRON0058,L,1-Pentene,CCCC=C,8004,Sandia values from independent api report ,"Sandia, UML",[9],C5H10,PubChem,,87.9,0,-0.7069,0.49970761,16.8667,13.176344,0,0,13,5,8,0,4,0,1,0,0,0,0,0,0,0,841.152997,913.977045,1030.977621,221.985792,12.192768,0,0,0,0,2159.128339,2793.90264,3705.238606,2077.898852,373.0049332,0,0,0,0,97.261492,99.630372,192.859428,203.917824,80.621568,0,0,0,0,15.35570724,19.95373448,28.32543528,20.83695852,5.335354858,0,0,0,0,2171.969926,1912.050107,4004.948013,4797.219504,2219.011824,0,0,0,0,29.25,29.25,53.25,44,12,0,0,0,0,64.70407669,70.30592654,41.23910484,7.928064,1.016064,0,0,0,0,166.0867953,214.9155877,148.2095442,74.21067329,31.08374443,0,0,0,0,7.481653231,7.663874769,7.71437712,7.282779429,6.718464,0,0,0,0,1.181208249,1.534902652,1.133017411,0.74417709,0.444612905,0,0,0,0,167.0746097,147.0807774,160.1979205,171.329268,184.917652,0,0,0,0,2.25,2.25,2.13,1.571428571,1,0,0,0,0,0.166861775,-0.030290087,-0.061106998,-0.017764016,0.025730214,0,0,0,0,441.1976548,25.77965908,-198.9386779,-294.6365429,247.1967344,0,0,0,0,616.1115392,-56.84338354,-230.9159335,-359.8460292,339.5495767,0,0,0,0,1.006116923,0.022630154,-0.405269775,-0.320349065,0.199930225,0,0,0,0,2.72042466,-0.59382257,-0.825059763,-1.163071608,1.221741611,0,0,0,0,15.16770937,-3.820079871,-4.293260755,-5.6554302,6.184916144,0,0,0,0,5.692307692,0.307692308,-2.408284024,-2.183431953,1.437869822,0,0,0,0,0.012835521,-0.002330007,-0.00244428,-6.34E-04,0.002144184,0,0,0,0,33.93828114,1.983050698,-7.957547118,-10.52273367,20.59972786,0,0,0,0,47.39319532,-4.372567964,-9.236637339,-12.8516439,28.29579805,0,0,0,0,0.077393609,0.001740781,-0.016210791,-0.011441038,0.016660852,0,0,0,0,0.209263435,-0.045678659,-0.033002391,-0.041538272,0.101811801,0,0,0,0,1.166746874,-0.293852298,-0.17173043,-0.20197965,0.515409679,0,0,0,0,0.437869822,0.023668639,-0.096331361,-0.077979713,0.119822485,0,0,0,0,-0.181528017,-0.190430906,-0.04942761,0.16705083,0,0,0,0,0.058431088,-0.23447113,-0.310054998,0.606976169,0,0,0,0,-0.092261514,-0.194893745,-0.271170657,0.597043476,0,0,0,0,0.022492569,-0.209459038,-0.147829234,0.215274261,0,0,0,0,-0.218283042,-0.157707392,-0.198497514,0.486524561,0,0,0,0,-0.251856083,-0.147187393,-0.173113513,0.441749355,0,0,0,0,0.054054054,-0.22,-0.178088803,0.273648649,0,0,0,0,1.079202865,1.533771392,0.907522794,0.017953309,0,0,0,0,1.046455482,1.296573014,1.142205478,0,0,0,0,0,1.400782816,1.2092156,1.05569405,0,0,0,0,0,0.843451136,1.537371059,1.021459241,0,0,0,0,0,1.621620514,1.204846877,0.957062907,0,0,0,0,0,1.669131046,1.213986238,0.926844302,0,0,0,0,0,0.810810811,1.517837838,1.054054054,0,0,0,0,0,10.66538388,5.457691938,7.897885203,10.81538388,2.163076775,5.469380842,0.25,0.068325039,0.013665008,-1.341739488,11.99443274,2.398886548,1.242221302,10.66925687,5.459261223,7.899720492,10.81881621,2.163763243,5.470927706,0.249265579,0.068101504,0.013620301,-1.343377989,11.99776791,2.399553583,1.242360313,14.18871007,6.894857797,10.13854223,13.94931339,2.789862677,6.897280554,-0.398994478,1.11E-16,2.22E-17,-18.36840028,2000008.112,400001.6225,7.254330897,10.67332191,5.460908357,7.901648432,10.82241879,2.164483759,5.472551358,0.2484948,0.067867019,0.013573404,-1.345102542,12.00128137,2.400256273,1.242506712,18.35299542,8.491770774,13.04482709,18.13653657,3.627307313,8.492317957,-1.082294264,0.131666808,0.026333362,-1.013740366,26.88790134,5.377580269,1.645838211,11.0723239,5.622729045,8.099057465,11.17620442,2.235240883,5.632308805,0.173134186,0.045564955,0.009112991,-1.544308193,12.41358514,2.482717029,1.259395725,9.348668008,4.786433652,7.243934167,9.344295875,1.868859175,4.814501047,0.571428571,0.173198573,0.034639715,-0.87665826,11.43910381,2.287820761,1.218518822,0,11.99693555,15.99741702,-0.402844557,0.06949013,4.99268493,5.798514342,5,13,13,13,5,0,0,0,0,0,10.661656,3.534649867,2.459820995,2.301199922,1.19006016,0.713992824,0.083923071,0.083923071,0.083923071,1.724171079,1.465521747,0.757863935,0.584445752,0.083923071,0.083923071,0.083923071,0.083923071,3.491022994,2.510897621,2.197473417,1.30885592,0.497844042,0.270913902,0.270913902,0.270913902,1.655976007,1.480535746,0.62194973,0.449177799,0.270913902,0.270913902,0.270913902,0.270913902,3.66565947,2.734801489,2.534642776,1.778468089,1.135201186,0.943918427,0.943918427,0.943918427,1.452583651,1.182450458,0.172849073,0.065446663,0.943918427,0.943918427,0.943918427,0.943918427,3.492553132,2.548571849,2.194211739,1.39352899,0.439979725,0.399277246,0.399277246,0.399277246,1.612285733,1.48786325,0.531260614,0.360087334,0.399277246,0.399277246,0.399277246,0.399277246,3.706001995,2.841861735,2.613106294,1.978039144,1.208515408,1.207644823,1.207644823,1.207644823,1.38842831,1.140126443,0.016182923,0.237178465,1.207644823,1.207644823,1.207644823,1.207644823,3.820976301,2.732553622,2.634421018,1.577575475,1.384478255,0.666666667,0.666666667,0.666666667,1.528942797,1.156098215,0.349720363,0.115243296,0.666666667,0.666666667,0.666666667,0.666666667,0,0,0,0,0,2,2,0,0,0,0,0.176776695,0,0,0,0,0.102062073,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.535533906,2.5,1.767766953,1.25,0.883883476,0,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0,0,0,3.236675415,2.077350269,1.319479217,0.827350269,0.510310363,0,0,0,0.647335083,0.415470054,0.263895843,0.165470054,0.102062073,0,0,0,6.88211032,12.8820102,12.25098039,12.44,7.674457485,100.2675413,0.529393102,0.990923861,0.942383107,0.956923077,0.590342883,7.712887794,0.7968,20.053,14,18.61803399,28,5.6,14.000001,1.11E-16,2.22E-17,-18.36840028,19.22543377,3.845086753,1.478117039,20,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.522222222,0,0,0,0,0,0,0,0,0,0,0,0,0,4.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,1.277777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.5,1.9,0.45,4.944444444,0.277777778,1,2.195777778,0.5,1.444444444,2.888888889,0.5,1.444444444,2.888888889,2.33333,0.46667,0,0.03333,0.51282,0.85333,0.43333,0.51282,0.85333,0.07949,0,-0.07949,0,0.54687,0.16742,0,0,0,0,3,0.6,3,0.6,0,0,-3,-0.6,0,0,2.97125,0.59425,3.75,0.77875,0.15575,1.99071,0.39814,2.5,0.50929,0.10186,-0.086,-0.0172,0,0,0.384615385,5.01,1,1,1,1,0,0,1,1.238901257,1.546593564,2.16197818,2.16197818,2.16197818,2.16197818,16.10571634,20.10571634,28.10571634,28.10571634,28.10571634,28.10571634,0.334798389,0.41794859,0.584248993,0.584248993,0.584248993,0.584248993,2.461538462,2.153846154,1.538461538,1.538461538,1.538461538,1.538461538,0.334798389,0.41794859,0.584248993,0.584248993,0.584248993,0.584248993,11.26589917,14.95820687,15.57840689,15.57840689,15.57840689,15.57840689,18.28260559,15.69636663,16.43374578,16.43374578,16.43374578,16.43374578,3.2,1.44,0.64,0,0,0,1.79,0.6223,0,0,0,0,4.242640687,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.402,0.394,0.462,0.261,2.485,5,5,5,0,0,0,0,0,0,25,1.791759469,1.791759469,1.791759469,1.791759469,0,0,0,0,0,0,3.258096538,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,8.618033989,12,2.4,6.006204681,0,0,0,13.96759521,2.793519041,1.318370009,9.23,74.1741652,3.321928095,3.044522438,3.713572067,4.394449155,5.081404365,5.771441123,6.463029457,7.155396302,7.848153086,8.541105011,62.013073,2.397895273,0,3.433987204,2.397895273,4.615120517,4.262679877,5.860786223,5.888877958,7.147559271,7.6989362,72.05751488,5.54288576,9.6875,1.9375,2.875,2.875,0,15,0,0.526,20,1.32381402,2.215652368,2.898541822,3.911780143,0,0,0,0,0,0,115.8765269,104.3870609,25.86248133,3.974618979,0,0,0,0,0,0,310.2952519,351.3645104,232.8712978,121.5927742,0,0,0,0,0,0,10.49500968,17.4466941,21.35241214,26.28115407,0,0,0,0,0,0,2.077999953,2.586990757,2.279127772,1.739227933,0,0,0,0,0,0,194.4288821,354.6300057,491.0884207,723.3571993,0,0,0,0,0,0,3.430344672,5.088834073,4.799443134,3.911780143,0,0,0,0,0,0,0.497207669,0.627244541,0.540544713,0.400566287,0,0,0,0,0,0,199.1911769,86.73150727,8.874803944,46.87302054,-20.40937649,-16.57440372,152.3181563,107.1408838,25.44920766,0.809508978,0.352475119,0.036067027,0.190491022,-0.0829433,-0.067358047,49.01381706,21.34151872,2.18377151,11.53377218,-5.022016845,-4.078367348,0.129341162,0.874144515,3.284762567,37.83985785,202.7763231,43.28787427,0.824078941,0.175921059,317.3301829,17.81376386,6.820828459,394.8264715,19.87024085,7.336159318,439.0181948,20.95276103,7.600243498,1.452529858,1.426837716,156.8175878,94.22550879,78.70754181,1.664279555,1.992408659,1.197159848,3.028378772,3.135879074,4.651062929,0.483176749,2.231237239,0.812322797,12.61835777,2.899387394,5.638520027,1.891615829,1.674003163,1.062431324,7.07E-06,5.49E-32,9.65E-80,3.44E-149,2.39E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.187282339,0.81215352,2.037431497,2.153566959,1.310254884,0.143719534,0.063959634,0.007482791,4.98E-08,3.86E-34,6.79E-82,2.42E-151,1.68E-242,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.604497109,0.812165166,3.287970162,1.756808447,1.937848912,0.410953975,0.256895821,0.077976448,5.19E-07,4.03E-33,7.08E-81,2.52E-150,1.75E-241,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.106107785,0.81230433,12.13202819,3.039692624,5.552191747,1.898951279,1.52742858,0.946607182,6.30E-06,4.89E-32,8.60E-80,3.06E-149,2.13E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.89090197,0.812179963,4.441292524,1.666644282,2.37640751,0.583968872,0.429634952,0.169375265,1.13E-06,8.75E-33,1.54E-80,5.48E-150,3.81E-241,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.694535288,0.812400372,15.94525144,3.516136819,7.126875068,2.478667973,2.271214005,1.549456236,1.03E-05,8.00E-32,1.41E-79,5.01E-149,3.49E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.48750243,0.812228564,9.382653002,3.347523004,4.493779252,1.559173215,0.894798048,0.472191699,3.14E-06,2.44E-32,4.29E-80,1.53E-149,1.06E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.061267326,0.856730237,0.523837969,0.598886062,0.248916669,0.559535764,0.427460602,0.546683867,3.441835531,3.29450796,7.661415175,0.398329092,1.533680233,1.216742779,1.163562009,0.112371329,0.488127106,0.466792297,0.377133514,0.414505088,0.020576688,2.492676117,1.683233685,4.335000149,0.432379104,0.812215289,1.623051803,0.826078765,0.279427559,0.594838639,0.302752856,0.347152956,0.378481954,0.140138596,2.728558128,2.025123206,5.12832904,0.392257958,0.865773506,1.986954389,0.940102354,0.504087468,0.579093814,0.273990918,0.520023173,0.497365881,0.474622301,3.431144211,3.343433121,7.716182728,0.368640722,1.492011355,1.813764293,0.717696997,0.358110934,0.627693012,0.248374826,0.433264246,0.297789883,0.252550482,2.889572224,2.208277154,5.564014265,0.441539518,0.983604611,2.101306637,0.887612243,0.55279418,0.593302337,0.250616644,0.58148388,0.457981328,0.607129002,3.54171306,3.517402458,8.090157094,0.389953506,1.64659421,2.018505443,0.89947747,0.511691315,0.58854145,0.262263239,0.536613413,0.461119813,0.502649725,3.429674228,3.308706684,7.667407752,0.382812175,1.500382951 +UMLRON0059,L,tetrahydrofuran,C1CCOC1,8028,,UML,[1],C4H8O,PubChem,,72.9,0,-0.2605,0.06786025,20.7397,10.509172,5,5,9,5,4,0,4,0,1,0,0,0,0,0,0,0,837.088741,865.548693,922.016853,107.944704,3.048192,0,0,0,0,2034.793362,2334.956175,2728.456669,945.6981928,93.25123329,0,0,0,0,70.387636,71.159844,104.337444,81.80352,20.155392,0,0,0,0,13.57725562,15.49955724,18.79618183,9.084640547,1.333838715,0,0,0,0,1432.299318,1299.559916,1976.173565,1843.856796,554.7529561,0,0,0,0,32.25,34,45,22,3,0,0,0,0,93.00986011,96.172077,70.92437331,9.813154909,1.016064,0,0,0,0,226.0881513,259.439575,209.8812822,85.97256298,31.08374443,0,0,0,0,7.820848444,7.906649333,8.025957231,7.436683636,6.718464,0,0,0,0,1.508583958,1.722173027,1.445860141,0.825876413,0.444612905,0,0,0,0,159.1443687,144.3955462,152.0133511,167.6233451,184.917652,0,0,0,0,3.583333333,3.777777778,3.461538462,2,1,0,0,0,0,0.136858249,-0.028200221,-0.041071817,-0.018667623,0.019510537,0,0,0,0,322.1770049,17.73507911,-151.173756,-156.588863,128.9390374,0,0,0,0,452.624706,-42.96737003,-177.7690357,-182.6866832,177.110736,0,0,0,0,0.909854222,-0.029459556,-0.343846321,-0.185905827,0.104284593,0,0,0,0,2.132178699,-0.470728745,-0.670413716,-0.562213346,0.637266458,0,0,0,0,12.18978678,-3.067779077,-3.57496097,-2.678236145,3.226082803,0,0,0,0,5.555555556,0.416666667,-2.552469136,-2.206790123,1.564814815,0,0,0,0,0.015206472,-0.003133358,-0.003159371,-0.001697057,0.006503512,0,0,0,0,35.79744499,1.970564346,-11.62875046,-14.23535118,42.97967912,0,0,0,0,50.291634,-4.774152226,-13.67454121,-16.60788029,59.03691199,0,0,0,0,0.101094914,-0.003273284,-0.026449717,-0.01690053,0.034761531,0,0,0,0,0.236908744,-0.052303194,-0.051570286,-0.051110304,0.212422153,0,0,0,0,1.354420753,-0.340864342,-0.274996998,-0.243476013,1.075360934,0,0,0,0,0.617283951,0.046296296,-0.19634378,-0.200617284,0.521604938,0,0,0,0,-0.206054231,-0.20776486,-0.111600944,0.427680548,0,0,0,0,0.055047626,-0.324848616,-0.397663889,1.200635384,0,0,0,0,-0.094929352,-0.27190489,-0.330231471,1.173891308,0,0,0,0,-0.032378325,-0.26163252,-0.167174877,0.343850443,0,0,0,0,-0.22077359,-0.217679959,-0.215738361,0.89664125,0,0,0,0,-0.251667985,-0.20303661,-0.179763942,0.793963716,0,0,0,0,0.075,-0.318076923,-0.325,0.845,0,0,0,0,1.015496904,1.296964181,0.905655042,0.012596016,0,0,0,0,0.711923799,1.153369336,1.327171313,0,0,0,0,0,0.951886963,1.07853411,1.219279445,0,0,0,0,0,0.85180532,1.368574945,0.958388894,0,0,0,0,0,1.153237743,1.094143474,1.036090469,0,0,0,0,0,1.202668776,1.108625819,0.978531397,0,0,0,0,0,0.68,1.273846154,1.210909091,0,0,0,0,0,7.059295148,3.654647574,5.260065614,7.209295148,1.44185903,3.733211533,0.25,0.060936701,0.01218734,-1.398959824,11.91397411,2.382794823,1.238856003,7.062030348,3.655647964,5.261272757,7.211589696,1.442317939,3.734113067,0.249265579,0.060729794,0.012145959,-1.400660434,11.91710332,2.383420664,1.238987311,9.537593422,4.569299472,6.774279553,9.298196735,1.859639347,4.59700026,-0.398994478,0.055196492,0.011039298,-1.448427941,25.36405053,5.072810106,1.616666419,7.064901142,3.656697971,5.262541027,7.213998022,1.442799604,3.735059475,0.2484948,0.060512788,0.012102558,-1.402450283,11.92040247,2.384080493,1.239125712,12.35003008,5.586313078,8.859416232,12.13357123,2.426714246,5.596609067,-1.082294264,0.090838941,0.018167788,-1.199333607,25.14106214,5.028212428,1.612251226,7.346494682,3.759814434,5.39338701,7.450375193,1.490075039,3.828750437,0.173134186,0.040067676,0.008013535,-1.608592683,12.32234724,2.464469449,1.255707232,6.462139427,3.414050254,5.002262825,6.656671937,1.331334387,3.521353774,0.428571429,0.114496007,0.022899201,-1.083607664,11.50376624,2.300753248,1.22133724,0,11.85,15.99491564,-0.325173008,0.160017024,4.9344879,5.55988894,5,9,7,4,0,2,0,0,0,5,6.288828,3.735219643,2.224169807,2.176736773,0.684205018,0.416640671,0.259831927,0.383312778,1.344145175,1.581960777,1.344145175,0.383312778,0.259831927,0.416640671,0.684205018,2.176736773,2.224169807,3.648620057,2.259742497,2.007138501,0.824552762,0.386347858,0.109930173,0.231894637,1.450804464,1.53531769,1.450804464,0.231894637,0.109930173,0.386347858,0.824552762,2.007138501,2.259742497,3.796132057,2.429892988,2.326110288,1.369277282,1.03943523,0.459993718,0.270959397,1.178426786,1.407037685,1.178426786,0.270959397,0.459993718,1.03943523,1.369277282,2.326110288,2.429892988,3.630338281,2.28674448,1.969563575,0.92401932,0.419687993,0.011338001,0.130533276,1.504712965,1.506420904,1.504712965,0.130533276,0.011338001,0.419687993,0.92401932,1.969563575,2.28674448,3.801709055,2.519318628,2.367509597,1.595644291,1.208080106,0.650401609,0.445260153,1.178279776,1.369678298,1.178279776,0.445260153,0.650401609,1.208080106,1.595644291,2.367509597,2.519318628,3.852844268,2.376926868,2.309555775,1.003685811,0.803735291,0.10753406,0.052621817,1.166295615,1.485364641,1.166295615,0.052621817,0.10753406,0.803735291,1.003685811,2.309555775,2.376926868,0,0,2,2,0,0,0,0,0,0,0,0.176776695,0,0,0,0,0.045360921,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.535533906,2.5,1.767766953,1.25,0.883883476,0,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0,0,0,2.717649367,1.471404521,0.79314847,0.425380792,0.226804606,0,0,0,0.543529873,0.294280904,0.158629694,0.085076158,0.045360921,0,0,0,5.798454712,9.106336489,8.8,8.92,6.077348503,67.69642036,0.644272746,1.011815165,0.977777778,0.991111111,0.675260945,7.521824484,1.2796,18.708,14,18.61803399,28,5.6,14.000001,1.11E-16,2.22E-17,-18.36840028,19.22543377,3.845086753,1.478117039,20,0,0,1,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.583333333,6.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.341666667,0,0,0,0,2.341666667,0,0,0,0,0,0,0,0,0,0,0,0,0,6.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.583333333,1.625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.533333333,0,0,0,0,0.533333333,0,0,0,0,0,0,0,0,0,0,0,0,0,1.625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.583333333,1.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.6375,0,0,0,0,0.6375,0,0,0,0,0,0,0,0,0,0,0,0,0,1.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.5,2.3,0.6375,4.583333333,0.458333333,1.625,2.068083333,0.375,1.083333333,2.166666667,0.375,1.083333333,2.166666667,2.33333,0.46667,0,0.03333,0.60741,0.85333,0.43333,0.51282,0.85333,0.17407,0.09459,-0.07949,0,0.54687,0.16742,0,0,0,0,8,1.6,3,0.6,5,1,2,0.4,0,0,1.09208,0.21842,3.75,2.65792,0.53158,0.72903,0.14581,2.5,1.77097,0.35419,-0.086,-0.0172,0,0,0.555555556,5.01,0,1,1,1,0,0,0,1.392147224,1.836591668,2.281036113,2.281036113,2.281036113,2.281036113,12.52932501,16.52932501,20.52932501,20.52932501,20.52932501,20.52932501,0.439173552,0.579380164,0.719586776,0.719586776,0.719586776,0.719586776,1.777777778,1.333333333,0.888888889,0.888888889,0.888888889,0.888888889,0.395096565,0.521231552,0.64736654,0.64736654,0.64736654,0.64736654,12.39726651,17.73059985,18.17852208,18.17852208,18.17852208,18.17852208,17.3767778,16.47051112,16.31946668,16.31946668,16.31946668,16.31946668,3.2,1.44,0.64,0,5,0,1.79,0.5363,0,0,0,0,4.242640687,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.162,0.172,0.477,0.395,2.063,5,5,5,0,0,0,0,0,0,25,2.140066163,2.505525937,2.883403089,3.270044111,0,0,0,0,0,0,4.203759348,2.6375,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,8.618033989,12,2.4,6.006204681,0,0,0,13.96759521,2.793519041,1.318370009,13.14,58.0012478,3.321928095,3.044522438,3.713572067,4.394449155,5.081404365,5.771441123,6.463029457,7.155396302,7.848153086,8.541105011,62.013073,2.397895273,0,3.433987204,2.397895273,4.615120517,4.262679877,5.860786223,5.888877958,7.147559271,7.6989362,68.02621475,7.558468305,9.6875,1.9375,2.875,2.875,0,15,0,0.709,20,1.412175807,2.512718459,3.43166515,4.50148783,0,0,0,0,0,0,157.2885454,184.6982928,35.22044638,4.57379973,0,0,0,0,0,0,401.0111539,535.7115696,303.2802733,139.9230973,0,0,0,0,0,0,11.39059948,20.22417311,25.69499798,30.24308393,0,0,0,0,0,0,2.566895212,3.659337085,2.883001911,2.00141958,0,0,0,0,0,0,202.043942,381.2910923,573.1499199,832.4045601,0,0,0,0,0,0,5.811861342,8.845447592,7.064010872,4.50148783,0,0,0,0,0,0,0.60513871,0.879363638,0.687433336,0.460952354,0,0,0,0,0,0,200.8612279,80.06558415,13.18650877,86.95010531,-34.65930706,-15.03834651,113.9111226,114.7248912,28.22485527,0.697892003,0.278187739,0.045816503,0.302107997,-0.120423705,-0.05225071,57.81013778,23.04378252,3.795226668,25.02522573,-9.975341372,-4.328206557,0.224688991,0.815738399,7.734223576,33.4995396,246.7448104,41.06652283,0.857314435,0.142685565,332.070227,18.22279416,6.924843768,371.6676205,19.27868306,7.189823719,452.9411084,21.28241313,7.679752893,2.652708233,2.652708233,148.0086833,84.99932807,66.72113131,1.741292392,2.218317951,1.273949143,2.951952922,3.378611815,4.710721683,0.394277277,1.442268342,0.812152601,2.620162733,3.620746427,1.445178595,1.424981849,1.648071044,0.441600329,2.32E-04,8.81E-28,6.45E-73,9.12E-140,2.48E-228,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.121069842,0.888408023,1.387038561,2.152808305,1.369373793,0.127745069,0.077853558,0.003110228,1.64E-06,6.21E-30,4.55E-75,6.42E-142,1.75E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.390754298,0.746651208,1.113319114,1.814165411,0.835020717,0.363431509,0.197043865,0.032410967,1.70E-05,6.47E-29,4.74E-74,6.69E-141,1.82E-229,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.3613857,0.888094674,3.05594735,3.675819786,1.752186515,1.43642559,1.699223198,0.393457945,2.07E-04,7.85E-28,5.75E-73,8.12E-140,2.21E-228,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.575884335,0.692780837,1.02839837,1.790232558,0.657080542,0.508218014,0.283242589,0.070400949,3.70E-05,1.41E-28,1.03E-73,1.45E-140,3.96E-229,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.741741207,0.860241629,3.347078111,4.564654318,1.74810031,1.794886725,2.404818475,0.644032577,3.39E-04,1.29E-27,9.41E-73,1.33E-139,3.62E-228,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.72115102,0.984402089,2.707728231,2.878864317,1.974078728,0.822255616,0.807243558,0.110400087,5.80E-05,2.20E-28,1.61E-73,2.28E-140,6.21E-229,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.003754311,1.573404801,0.082310067,0.547553269,0.42995438,0.41061903,0.455164521,0.382564864,3.659469179,3.447152858,7.366122356,0.466261473,1.248348415,1.321396935,0.956279231,0.029049939,0.572845182,0.414561238,0.374012107,0.116418421,0.042259659,2.306726105,1.329790799,3.673225117,0.48110963,0.532690187,1.393993457,1.218777078,0.046415936,0.524218016,0.458327045,0.200217554,0.273542568,0.121662166,2.659186471,1.820241462,4.558287089,0.473817592,0.595422288,1.91393627,1.595851615,0.079414526,0.533248352,0.444625695,0.381559491,0.469419297,0.360254405,3.589202411,3.333086429,7.164849257,0.46681107,1.211233193,1.604876669,1.238492061,0.055494899,0.553622686,0.42723364,0.266866022,0.286552914,0.17072228,2.898863629,2.145419475,5.154586264,0.47128449,0.724141216,2.083195964,1.645949933,0.087839865,0.545769907,0.431217205,0.444030835,0.497332836,0.437429374,3.816985761,3.756403927,7.874578201,0.465480668,1.378793046,1.947655446,1.568301283,0.079948122,0.54163153,0.436135367,0.388488133,0.45157534,0.363057295,3.595904851,3.335604672,7.175711904,0.466650346,1.203120768 +UMLRON0060,L,Furan,C1=COC=C1,8029,Sandia values and co-optima values are from co-optima api report therefore we should go with UML values ,"Sandia, UML",[1],C4H4O,PubChem,,107.7,0,0.5033,0.25331089,30.6961,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1621.430308,1203.965249,847.95216,816.150476,245.0952,18.289152,0,3346.887898,3979.09551,4899.824225,4643.246774,3570.567584,2868.375069,1962.172413,559.5073998,0,152.568096,145.6753,259.389256,293.345948,292.218312,156.107072,162.393984,120.932352,0,23.35516286,28.53615172,36.92210936,36.93989672,30.00232075,22.59436852,17.90497835,8.003032287,0,3350.680532,2804.677982,5515.919437,6245.455709,6817.206589,3386.191035,3503.329189,3328.517736,0,92.05555556,55.75,100.8333333,105.0555556,84.83333333,65,69,18,0,69.4856748,68.35965826,47.68912671,31.68329603,21.74236308,38.86430838,11.6712,1.016064,0,167.3443949,209.4260795,144.1124772,122.1907046,91.55301496,136.589289,93.43678159,31.08374443,0,7.6284048,7.667121053,7.629095765,7.719630211,7.492777231,7.433670095,7.733046857,6.718464,0,1.167758143,1.501902722,1.085944393,0.972102545,0.769290276,1.07592231,0.852618017,0.444612905,0,167.5340266,147.6146306,162.2329246,164.3540976,174.8001689,161.2471921,166.8251995,184.917652,0,4.602777778,2.934210526,2.965686275,2.764619883,2.175213675,3.095238095,3.285714286,1,0,0.263116967,-0.162117433,0.082071018,-0.026709359,-0.062814774,0.067153598,-0.04315207,0.014010537,0,715.056216,-13.739645,163.134436,-427.438063,92.5056,-5.036836,-581.6736,414.72,0,931.2646053,-148.2416011,14.65790436,-550.1561811,454.5628667,-108.20832,-656.0019276,527.7549561,0,1.9334688,0.00145024,0.78334624,-0.78457312,-0.62124336,0.00120896,-0.76498704,0.41806368,0,4.097118945,-1.072153629,-0.37144502,-2.134537625,2.527921306,-0.81440452,-1.96412975,1.780189767,0,23.01673804,-6.548761719,-2.425366892,-11.36133107,14.29870308,-5.009766563,-9.268802119,8.806956266,0,37.60555556,-1.9725,14.92333333,-13.13944444,-7.264166667,3.3725,-22.3275,7.605,0,0.013155848,-0.008532496,0.002413853,-7.03E-04,-0.001610635,0.00319779,-0.00205486,7.78E-04,0,35.7528108,-0.723139211,4.798071647,-11.24837008,2.371938462,-0.239849333,-27.69874286,23.04,0,46.56323026,-7.80218953,0.431114834,-14.47779424,11.65545812,-5.152777144,-31.23818703,29.31971978,0,0.09667344,7.63E-05,0.023039595,-0.020646661,-0.015929317,5.76E-05,-0.036427954,0.02322576,0,0.204855947,-0.056429138,-0.010924854,-0.056172043,0.064818495,-0.038781168,-0.093529988,0.098899431,0,1.150836902,-0.344671669,-0.07133432,-0.298982397,0.366633412,-0.238560313,-0.441371529,0.489275348,0,1.880277778,-0.103815789,0.438921569,-0.345774854,-0.186260684,0.160595238,-1.063214286,0.4225,0,-0.648570602,0.183481399,-0.053427027,-0.122427318,0.243069872,-0.156193688,0.059164801,0,-0.02022608,0.134201243,-0.314614986,0.066342713,-0.006708545,-0.774729098,0.644424857,0,-0.167561174,0.009258697,-0.310927617,0.250314638,-0.110661935,-0.670876716,0.629675382,0,7.90E-04,0.238323942,-0.213571184,-0.164774492,5.96E-04,-0.376814503,0.240249649,0,-0.275457653,-0.053329443,-0.274202646,0.316410121,-0.189309455,-0.456564671,0.482775496,0,-0.299496539,-0.061984735,-0.259795629,0.318579819,-0.207292895,-0.383522225,0.425147427,0,-0.055213007,0.233434429,-0.183895623,-0.099060195,0.085410379,-0.565455965,0.224700842,0,1.626284851,0.877557017,1.196300779,1.140924346,0.913269383,0.955461509,0.003601188,0,1.04922138,0.856572671,1.328570774,0.865319738,0.928224413,1.772164338,0,0,1.505949528,1.026726295,1.272401598,0.536946093,1.167607284,1.555540651,0,0,0.713221749,0.731396338,1.395831678,1.258537333,0.705180983,1.649902423,0,0,1.749688453,1.117530992,1.251115475,0.412504144,1.279633595,1.345595739,0,0,1.787392882,1.13157774,1.250004176,0.406007317,1.293015694,1.289434213,0,0,0.617521052,0.458393802,1.19995568,0.942295381,1.082666779,2.742755841,0,0,31.73089566,16.11544783,25.06810706,32.10589566,4.013236958,16.11544819,0.5,0.106231617,0.013278952,-1.793706803,33.77855069,4.222318836,2.815860805,31.74443601,16.12148359,25.07874471,32.11833438,4.014791798,16.12148394,0.498531158,0.106035978,0.013254497,-1.79518146,33.73686129,4.217107662,2.814872837,43.80026493,21.50113799,34.79157075,43.20177322,5.400221652,21.50113799,-0.797988956,0.010577105,0.001322138,-3.639250784,26.56475504,3.32059438,2.623668271,31.75864707,16.12781833,25.08991028,32.13138927,4.016423658,16.12781869,0.4969896,0.10583087,0.013228859,-1.796730423,33.69348351,4.211685439,2.813843561,56.64329581,27.23935364,45.37979737,55.01985441,6.877481802,27.23935364,-2.164588529,0.070159726,0.008769966,-2.125584669,27.08061285,3.385076606,2.639054463,33.14989579,16.74808208,26.18767968,33.40959707,4.176199633,16.74808226,0.346268372,0.086798165,0.010849771,-1.955335841,30.73574876,3.841968595,2.740341145,33.03058453,16.78871298,26.51903109,33.57850119,4.197312649,16.7887132,1.095833333,0.266467366,0.033308421,-1.058002797,25.22851187,3.153563983,2.582379823,0,11.89,15.99591765,-0.31559545,0.301600005,3.721746516,7.131568055,7,19,18,18,6,1,1,0,0,1,15.992484,3.522630065,3.258381157,2.470312104,2.333552793,2.062972223,1.228347023,0.873294474,0.083923071,1.831605205,1.558431985,1.249629723,1.157459134,0.490035191,0.378655302,0.083923071,0.083923071,3.452165883,3.182733654,2.444405098,2.405454588,1.95884205,1.177468332,0.601748242,0.270913902,1.795518836,1.559749519,1.134540686,1.094828256,0.61826556,0.235747272,0.270913902,0.270913902,3.62505275,3.385882231,2.743244102,2.704236987,2.338630486,1.645015008,1.224475737,0.943918427,1.588670208,1.304440663,0.76031856,0.728433467,0.201931579,0.298174876,0.943918427,0.943918427,3.455494751,3.162900118,2.464136652,2.457539916,1.941228911,1.243819504,0.459576293,0.399277246,1.782501309,1.55946311,1.058262671,1.050414563,0.640585386,0.136603837,0.399277246,0.399277246,3.659147047,3.417434266,2.839146137,2.838982085,2.401923931,1.826262654,1.208936353,1.207644823,1.54205472,1.271648549,0.631337262,0.631185395,0.143853842,0.485243556,1.207644823,1.207644823,4.75330429,3.481806505,2.959777136,2.700638745,2.612600818,1.77309196,1.248289134,0.571428571,1.709567043,1.239126283,0.898315104,0.884192385,0.048058989,0.106894073,0.571428571,0.571428571,0,0,1,0,0,4,0,1,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.491581624,0,0,0,0.577350269,0.333333333,0.666666667,0.225592232,0.117354024,0.185395406,6.568914101,3.625897658,3.365043969,1.321367205,0.666666667,0.666666667,0,0,0.821114263,0.51798538,0.420630496,0.264273441,0.166666667,0.166666667,0,0,5.600953631,2.759872254,2.196432708,0.619929799,0.284020691,0.234708048,0,0,0.700119204,0.394267465,0.274554088,0.12398596,0.071005173,0.058677012,0,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.2055,31.471,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,56,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.79032407,-0.195648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.547083333,0.5125,0,0,0,0,0,0,0,0,0,0,5.424861111,0,0.537037037,0,0,0,0.443425926,0,0,-0.195648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.12597222,4.664351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.664351852,-0.195648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.307222222,0.5125,0,0,0,0,0,0,0,0,0,0,1.419027778,0,0.537037037,0,0,0,0.443425926,0,0,-0.195648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.12597222,4.664351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.12597222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,2.002916667,0,0.537037037,0,0,0,0.443425926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.12597222,4.664351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21,2.625,0.635763889,10.12597222,0.243055556,-0.195648148,2.818434259,1.862314815,3.125972222,8.592314815,1.862314815,3.125972222,8.592314815,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.5,0.27273,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,6.04835,0.75604,8.87961,2.83126,0.35391,2.51961,0.31495,3.62588,1.10628,0.13828,0.28812,0.03601,0.28812,0.03601,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,2.070950594,3.10869497,3.00869497,2.946439345,2.67650216,25.90923688,41.41901189,62.17389939,60.17389939,58.92878689,53.5300432,0.299741647,0.479172848,0.719284287,0.696146466,0.681741871,0.619284287,3.026466251,2.2509775,1.213233125,1.313233125,1.37548875,1.645425935,0.299741647,0.479172848,0.719284287,0.696146466,0.681741871,0.619284287,12.01211119,21.71746765,22.76333241,21.56333241,22.59980713,16.71373201,29.38046565,17.93632218,17.86882451,19.26198137,18.27863607,14.84347485,8,3.9375,7.2,8,3,3,1.9,1.0284,0.814325285,1.310370697,3,0,0,1.414213562,0,0.333333333,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.426,0.519,0.065,3.13,8,5,4,4,0,0,0,0,0,36,2.197224577,2.397895273,1.945910149,1.791759469,1.945910149,0,0,0,0,0,3.784189634,1.194444444,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,5,0.666666667,2.5,0.666666667,0.25,0.32,0,0,0,0,0,0,0.357142857,0.083333333,0.05,0.08,0,0,0,0,0,0,0.57047619,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,26.3,127.2763612,4,3.433987204,4.043051268,4.779123493,5.424950017,6.150602768,6.814542897,7.529943371,8.204398418,8.912338567,70.292938,2.708050201,0,3.850147602,0,5.105945474,0,6.408528791,0,7.738488122,8.049746291,116.0837296,5.804186481,14.50192071,1.812740089,5.187384288,5.187384288,0,74,5,1.319,30,1.230631579,2.106969338,2.891394189,3.534280412,4.70866819,5.445084558,6.043125667,0,0,0,94.58963281,111.4719746,98.19792716,89.49677329,193.5969383,63.67120234,6.140202438,0,0,0,279.0386343,327.0398364,369.304079,358.3677751,673.8222885,516.863806,187.8429738,0,0,0,9.500427541,16.20575331,22.3546341,26.49594064,35.05156906,41.85973882,40.60052224,0,0,0,1.953218228,2.41165857,2.902557631,2.93763535,5.258026931,4.743423404,2.686851657,0,0,0,180.0610686,338.2248173,472.7925657,611.1885011,753.7051487,903.0653125,1117.480609,0,0,0,3.700763158,6.618384046,8.072776514,7.67289162,14.75681212,17.37342364,6.043125667,0,0,0,0.448387105,0.580936933,0.714285757,0.712590466,1.226809629,1.156212646,0.618816068,0,0,0,365.9441333,265.5177252,12.41733603,148.2352149,-107.5548792,-17.59424438,217.7089184,373.0726045,30.0115804,0.711705234,0.516391267,0.024149815,0.288294766,-0.20917775,-0.034218108,188.1609159,136.5237309,6.384737744,76.21948616,-55.30249769,-9.046597104,0.356033055,0.434911676,1.948236147,2.526701316,461.8310716,52.34827657,0.898190628,0.101809372,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,991.881167,31.49414496,9.972863652,1.643851874,1.643851874,552.7014709,477.7378699,114.048935,1.156913667,4.846178273,4.188884972,4.103894073,4.208298788,7.348221114,0.746126281,3.360032699,4.293013073,3.504398044,12.93381634,3.824305707,4.264564764,4.413597623,5.729413631,2.008295237,5.120155455,3.136939542,4.009776634,0.515527032,0.199769212,7.10E-19,4.87E-58,6.44E-119,1.64E-201,8.08E-306,0,0,0,0,0,0,0,0,0,0,0,0.298491782,4.443993404,0.304848237,6.166463103,0.285963536,1.480691179,2.239329552,0.616584963,0.332639884,0.343977924,1.082407555,0.126688863,0.003630989,0.001406991,5.00E-21,3.43E-60,4.54E-121,1.16E-203,5.69E-308,0,0,0,0,0,0,0,0,0,0,0,0.91615042,4.162909882,0.708127691,5.93816184,0.553551875,1.886736894,1.902006801,1.260705174,0.633779091,0.823708076,1.375433557,0.547226043,0.037836998,0.01466193,5.21E-20,3.57E-59,4.73E-120,1.21E-202,5.93E-307,0,0,0,0,0,0,0,0,0,0,0,3.176711882,4.443578521,3.785973304,13.53020203,4.140046848,4.052629791,4.668539044,5.685817906,1.921683843,5.449326303,2.966464908,3.640425854,0.459325366,0.177990771,6.33E-19,4.34E-58,5.74E-119,1.46E-201,7.20E-306,0,0,0,0,0,0,0,0,0,0,0,1.342655413,4.056106829,0.918748019,6.170155128,0.702175944,2.21223836,1.883870222,1.732457344,0.854203784,1.098051951,1.614101992,0.946391022,0.082186795,0.031847671,1.13E-19,7.76E-59,1.03E-119,2.62E-202,1.29E-306,0,0,0,0,0,0,0,0,0,0,0,4.057749124,4.388478536,4.794092697,16.0412393,5.55395065,5.163870431,5.649292984,7.600812534,2.418609724,7.255431511,3.818881215,5.526773361,0.751847432,0.291344621,1.04E-18,7.10E-58,9.39E-119,2.40E-201,1.18E-305,0,0,0,0,0,0,0,0,0,0,0,2.084250999,4.145853739,2.727349975,16.56119818,3.066735376,2.640305289,5.839345454,4.835976509,1.496275855,6.371391772,2.380750416,1.727449384,0.168335739,0.065230763,2.32E-19,1.59E-58,2.10E-119,5.37E-202,2.64E-306,0,0,0,0,0,0,0,0,0,0,0,5.246219739,1.235661534,0.504843958,0.750883936,0.17685847,0.535022762,0.460545602,0.437019916,6.986725231,9.754890527,20.01429293,0.626325904,1.432588279,4.146190481,0.841072677,0.168310457,0.804215164,0.163138525,0.36357879,0.216882457,0.044682374,5.155573615,4.326656069,10.06916991,0.706322746,0.625143621,4.661931703,0.970242092,0.301703296,0.785646826,0.163508963,0.430144192,0.294516089,0.157611902,5.933877091,6.222447766,13.52098992,0.678470239,0.882272183,5.133749376,1.229215348,0.489004931,0.749237027,0.179395912,0.515063629,0.46206025,0.411499455,6.851969655,9.42200465,19.35983186,0.623855541,1.388623334,4.924704547,1.034956281,0.364324296,0.778734366,0.163655711,0.473396442,0.327852502,0.229974862,6.323985124,7.268103142,15.44899598,0.668101549,1.031223805,5.296809362,1.271467903,0.529225181,0.746292009,0.179143003,0.545205995,0.486758455,0.479582267,7.097502445,10.21082081,20.87250831,0.619438014,1.511546717,5.189226436,1.247441552,0.493780921,0.748757621,0.179994336,0.526571189,0.476516444,0.41982378,6.930448909,9.651560528,19.77838008,0.623136431,1.422911413 +UMLRON0061,L,"2-Methylpropyl ester, acetic acid",CC(C)COC(=O)C,8038,"""2-methylpropylacetate""","Sandia, UML",[11],C6H12O2,UML,smiles code is result of acetic acid reacting with isobutyl alcohol (esterification) to produce 2-methylpropyl ester aka isobutyl ethanoate,108.7,0,-1.0318,1.06461124,29.9531,22.457102,0,0,22,8,14,0,7,0,1,0,0,0,0,0,0,0,1280.041744,1227.247947,1382.165159,1110.286345,871.245024,674.488295,477.731566,127.119888,9.144576,3616.181511,4450.143542,5558.086517,5261.104989,4194.768219,3187.969874,2181.171529,1120.963057,279.7536999,160.193824,154.923828,281.542892,350.83678,299.84916,236.96426,174.07936,111.43008,60.466176,26.39008467,33.66236034,45.56728387,45.44269842,37.48454303,28.46301417,19.44148531,10.95324725,4.001516144,3661.858907,3057.825133,6158.531007,7977.410827,7052.408754,5573.453599,4094.498444,2583.794029,1664.258868,82.77777778,51.25,82.33333333,106.5833333,79.33333333,67.16666667,57.5,39,9,58.18371564,58.44037843,35.44013228,23.13096552,20.74392914,20.43903924,19.90548192,8.4746592,1.016064,164.3718869,211.9115972,142.5150389,109.6063539,99.87543379,96.6051477,90.88214705,74.73087045,31.08374443,7.281537455,7.377325143,7.219048513,7.309099583,7.139265714,7.180735152,7.253306667,7.428672,6.718464,1.199549303,1.60296954,1.168391894,0.946722884,0.89248912,0.862515581,0.810061888,0.730216483,0.444612905,166.4481321,145.6107206,157.9110515,166.1960589,167.9144941,168.8925333,170.6041018,172.2529352,184.917652,3.762626263,2.44047619,2.111111111,2.220486111,1.888888889,2.035353535,2.395833333,2.6,1,0.130042668,-0.042913628,0.007138899,-0.034234336,9.40E-04,0.002579621,0.017319699,-0.022255787,0.00640401,687.3645011,-46.5210804,-72.60977875,-221.8907881,16.29493174,13.910715,11.52649826,-201.8222386,157.4294903,1066.90404,-96.33311012,-292.1129994,-212.2517092,10.42921586,10.11149942,9.793782976,-205.448519,242.3598194,1.085692364,-0.003217983,0.098766083,-0.341654612,-0.022351603,-0.041345455,-0.060339306,-0.257861157,0.085157851,4.734521863,-0.459492824,-1.753681784,-0.487085141,-0.038301025,-0.039038854,-0.039776682,-0.502546511,0.95266189,26.12162368,-2.544279046,-10.26560835,-1.972169627,-0.371318606,-0.383189342,-0.395060079,-2.098475248,4.969288461,34.27272727,-0.449724518,4.243801653,-10.31473829,-1.79338843,-2.621212121,-0.20661157,-8.110192837,2.115702479,0.00591103,-0.002043506,1.83E-04,-7.13E-04,2.24E-05,7.82E-05,7.22E-04,-0.001483719,7.12E-04,31.24384096,-2.215289543,-1.861789199,-4.622724752,0.387974565,0.421536818,0.480270761,-13.4548159,17.49216559,48.49563818,-4.587290958,-7.490076907,-4.421910608,0.248314663,0.306409073,0.408074291,-13.69656794,26.92886883,0.049349653,-1.53E-04,0.002532464,-0.007117804,-5.32E-04,-0.001252893,-0.002514138,-0.017190744,0.009461983,0.215205539,-0.021880611,-0.0449662,-0.010147607,-9.12E-04,-0.001182996,-0.001657362,-0.033503101,0.105851321,1.187346531,-0.121156145,-0.263220727,-0.041086867,-0.008840919,-0.011611798,-0.016460837,-0.13989835,0.552143162,1.55785124,-0.021415453,0.108815427,-0.214890381,-0.042699725,-0.07943067,-0.008608815,-0.540679522,0.235078053,-0.345710643,0.030967306,-0.120658377,0.00378706,0.013224487,0.122086012,-0.25100854,0.120377765,-0.07090324,-0.059588999,-0.147956353,0.012417633,0.013491837,0.015371694,-0.430638983,0.559859641,-0.094591826,-0.154448466,-0.091181615,0.00512035,0.006318281,0.00841466,-0.282428863,0.555284348,-0.003105134,0.051316747,-0.144232107,-0.010783886,-0.025388072,-0.050945399,-0.34834579,0.191733536,-0.101673083,-0.208945363,-0.047153094,-0.00423748,-0.00549705,-0.007701297,-0.155679546,0.491861508,-0.102039415,-0.22168821,-0.034603939,-0.007445947,-0.00977962,-0.013863549,-0.117824364,0.465022761,-0.01374679,0.069849691,-0.137940245,-0.027409372,-0.050987327,-0.005526083,-0.347067492,0.15089891,1.102779345,0.747219064,1.270405729,0.78093421,0.925698295,1.111637904,1.843255234,0.005021832,1.244484016,1.05569469,1.133228943,0.873779649,0.88791681,0.912656843,1.426332617,0,1.493214171,1.267214504,1.015778816,0.891219282,0.865720914,0.82109877,1.05049221,0,0.532603912,0.53828678,1.397899097,0.796636348,0.986099193,1.317659171,2.273277111,0,1.567567372,1.344764791,0.96903397,0.892000022,0.864727245,0.816999884,0.900908704,0,1.571413854,1.354213064,0.962198666,0.890357717,0.866817451,0.825621983,0.879035732,0,0.537356322,0.500790655,1.398858864,0.803603006,1.01193634,1.290354222,2.328381963,0,38.48821105,19.36910553,31.20270986,38.67571105,4.834463881,19.36910554,0.25,0.128049772,0.016006221,-1.644269,36.54814632,4.56851829,2.878904375,38.49003605,19.36965081,31.20343009,38.67698523,4.834623154,19.36965083,0.249265579,0.128025474,0.016003184,-1.644420813,36.54564474,4.568205593,2.878849616,40.11561809,19.8583118,31.86308443,39.81637223,4.977046528,19.85831181,-0.398994478,0.105249425,0.013156178,-1.801137812,34.67768391,4.334710489,2.836877092,38.49195144,19.37022312,31.20418603,38.67832254,4.834790318,19.37022313,0.2484948,0.127999971,0.015999996,-1.644580193,36.54302033,4.567877541,2.878792165,41.85664283,20.38717428,32.61453841,41.04492213,5.130615266,20.38717429,-1.082294264,0.077953027,0.009744128,-2.041319081,33.38002212,4.172502765,2.806366065,38.67943632,19.42628525,31.27841353,38.80928696,4.85116087,19.42628527,0.173134186,0.125489424,0.015686178,-1.660427033,36.29137075,4.536421343,2.873263994,42.92529297,21.49724112,35.34947233,43.25068979,5.406336224,21.49724113,0.650793651,0.1682138,0.021026725,-1.42601559,42.15105476,5.268881845,2.993007767,0,11.89,15.99491639,-0.29950256,0.191097625,4.075949464,7.093772518,7,21,20,20,6,1,1,0,0,1,16.262898,3.543250725,3.253617839,2.743805569,2.201568877,1.964764008,1.510071644,1.167641386,0.083923071,1.884290479,1.663007589,1.405119386,1.081734443,0.7571706,0.553700828,0.204129328,0.083923071,3.522074052,3.239123791,2.771689043,2.258112233,1.871002897,1.533883657,1.274054557,0.270913902,1.837219222,1.621836125,1.317653186,0.972265271,0.647656414,0.424408863,0.308618633,0.270913902,3.659704981,3.410222095,2.993203798,2.554162556,2.252125409,1.966074992,1.756205763,0.943918427,1.653511117,1.395480873,1.02018324,0.600266577,0.208482349,0.072909525,0.20748838,0.943918427,3.531321568,3.247923952,2.801694323,2.305977951,1.882879937,1.55899181,1.348229181,0.399277246,1.811046793,1.59574924,1.261298847,0.900812078,0.595470171,0.378459371,0.258279227,0.399277246,3.704241438,3.464434174,3.088259503,2.682400736,2.345414943,2.097092476,1.946549764,1.207644823,1.606161072,1.341521304,0.928881965,0.476036759,0.090131028,0.197118509,0.372475596,1.207644823,4.90316099,3.438808139,3.042051582,2.814291152,2.366652171,1.825746756,1.499424853,0.6,1.758709722,1.414728787,1.091705729,0.765167683,0.393068111,0.149974021,0.483218408,0.6,0,0,0,1,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.144337567,0,0,0,0.288675135,0.204124145,0.144337567,0.102062073,0.072168784,0.051031036,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,5.736675415,3.264784317,2.159121884,1.132392159,0.623945479,0.301031036,0.176031036,0,0.717084427,0.46639776,0.308445983,0.226478432,0.15598637,0.100343679,0.088015518,0,11.50759373,21.54552076,20.42745098,20.72,13.07012096,169.3523066,0.523072442,0.979341853,0.928520499,0.941818182,0.594096407,7.697832118,2.1557,34.823,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,2,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.31856859,0.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.450093537,0.802777778,0,0,0,0,0,0,0,0,0,0,3.787496221,0,4.242592593,0,0,0,0,0,0,0.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.31856859,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.31856859,0.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.232454649,0.401388889,0,0,0,0,0,0,0,0,0,0,1.648472222,0,0.771666667,0,0,0,0,0,0,0.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.31856859,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.31856859,0.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.139023998,0,1.201666667,0,0,0,0,0,0,0.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.31856859,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.66666667,2.333333333,0.533864796,10.31856859,0.232454649,0.318009259,3.636288691,1.348657407,3.318568594,6.915185185,1.348657407,3.318568594,6.915185185,3.83333,0.47917,0,0.02083,0.4803,0.79583,0.42308,0.4803,0.79583,0.05723,0,-0.05723,0,0.60209,0.1122,0,0.34783,0.13043,0,5.25,0.65625,3.75,0.46875,1.5,0.1875,-2.25,-0.28125,0,0,6.51929,0.81491,8.40872,1.88944,0.23618,3.02767,0.37846,3.77005,0.74238,0.0928,0.14395,0.01799,0.14395,0.01799,0,7.01,1,1,1,1,0,0,0.857142857,1.143320102,1.820438145,3.140361164,3.447401505,3.226730915,3.240160728,25.15304225,40.0496392,69.0879456,75.8428331,70.98808013,71.28353601,0.256382472,0.408222011,0.704206597,0.773058497,0.72357448,0.726586033,3.316111517,2.638993473,1.319070455,1.012030114,1.232700704,1.219270891,0.256382472,0.408222011,0.704206597,0.773058497,0.72357448,0.726586033,9.968326343,18.09374286,20.8004582,19.73343726,19.51103992,19.67219767,29.50877429,19.35137167,17.52471905,18.40974974,19.03382426,14.4107264,8,5.142857143,7.2,8,1,7,2.12,1.1106,0.166666667,2.955737938,0.894427191,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,3.887,7,5,4,3,2,0,0,0,0,36,2.197224577,2.302585093,1.945910149,1.791759469,1.609437912,1.386294361,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,17.07,135.7821191,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,114.1044651,5.186566594,14.66595917,1.833244896,2.373458674,2.373458674,0,79,5,2.145,28,1.233333333,2.128002271,2.889690752,3.608751467,4.938009559,5.961721737,7.291460153,8.255697228,0,0,82.62061363,84.81333219,76.9323435,93.25974354,113.9745592,133.1158753,63.19201738,8.388316748,0,0,286.274389,326.7476734,344.0010185,418.8097446,518.4318869,587.4762091,560.8890361,256.6179827,0,0,9.129617831,15.45046199,21.17921893,25.84480125,35.52604756,43.22279348,54.02572322,55.46560462,0,0,2.113145198,2.620301546,2.895162439,3.607671405,4.529154009,5.143273543,5.479572975,3.670589526,0,0,177.4424221,332.3208193,476.8418876,592.7456637,825.436735,1005.507883,1248.204637,1526.624147,0,0,3.069384921,4.722156399,6.530114634,6.974510315,10.20268718,14.38874849,18.68399538,8.255697228,0,0,0.449709286,0.578803732,0.656732485,0.803298333,1.030066045,1.202906758,1.321995093,0.845383396,0,0,393.8661834,207.246668,12.89390315,178.2411308,-93.78789555,-19.29706751,215.6250526,301.0345636,32.19097066,0.688448082,0.362251387,0.02253756,0.311551918,-0.163934096,-0.033729804,225.3337243,118.5673346,7.376696299,101.9730546,-53.65674103,-11.03999347,0.246250531,0.569150925,5.47518271,21.50904066,534.3158608,37.7914534,0.933943419,0.066056581,506.3771674,22.50282577,7.970606549,641.9956726,25.33763352,8.626686854,806.9568368,28.40698571,9.310009021,2.247883265,2.247883265,791.3023655,738.9006555,72.4603393,1.070918478,10.92048938,10.19731156,4.38167396,4.466158665,8.870202886,0.986092199,3.917822784,5.778255412,2.25187352,18.93229316,6.810190792,0.161427262,3.908353839,9.710023548,10.41317777,0.530634648,3.334841376,3.678362393,5.006159901,1.515761749,3.019771037,0.079465769,0.371059075,1.19E-17,7.34E-56,8.75E-116,2.01E-197,8.92E-301,0,0,0,0,0,0,0,0,0.345289482,5.778031215,0.152968713,5.363040119,0.137185079,0.003043962,0.630944674,0.381355181,4.179301107,0.025683825,0.028730175,1.238745885,0.335663268,0.93913404,0.04400544,5.64E-04,0.002613399,8.37E-20,5.17E-58,6.16E-118,1.42E-199,6.28E-303,0,0,0,0,0,0,0,0,1.067258616,5.777928829,0.517528773,6.142146546,0.62148376,0.016290493,1.269969927,1.450269226,4.413163224,0.095330436,0.254421752,1.256312142,0.841520166,1.056835239,0.28004972,0.005844402,0.027233637,8.72E-19,5.39E-57,6.42E-117,1.48E-198,6.54E-302,0,0,0,0,0,0,0,0,3.70321596,5.778289294,2.100785387,17.97213993,6.340825812,0.145520081,3.722261728,8.997610035,10.77094491,0.487897399,2.973547033,3.898808684,5.253090023,1.480460728,2.706217363,0.070805803,0.330606956,1.06E-17,6.54E-56,7.80E-116,1.79E-197,7.95E-301,0,0,0,0,0,0,0,0,1.565367409,5.777907687,0.786752537,7.204226786,1.15127264,0.030913056,1.718833358,2.392968042,4.755334646,0.153065112,0.542715719,1.384840796,1.146406576,1.137633663,0.552355025,0.012683267,0.059155098,1.89E-18,1.17E-56,1.40E-116,3.21E-198,1.42E-301,0,0,0,0,0,0,0,0,4.731361413,5.77842984,2.836942321,25.1450796,9.889402568,0.230127229,4.669844672,13.29377758,13.10355059,0.702297305,4.852966851,4.627778621,7.008658784,1.646465868,4.329890646,0.115878039,0.541154789,1.73E-17,1.07E-55,1.28E-115,2.93E-197,1.30E-300,0,0,0,0,0,0,0,0,2.465203933,5.413144136,1.191257498,13.48735761,4.071786819,0.065325156,2.59278055,5.0824883,13.26421586,0.242455962,1.211598907,6.560487732,6.355701569,1.729488715,1.193586117,0.028629665,0.133581267,4.28E-18,2.64E-56,3.15E-116,7.24E-198,3.21E-301,0,0,0,0,0,0,0,0,7.625333006,0.78791567,0.452338377,0.86010469,0.088873491,0.547581639,0.508165617,0.545435764,8.865587053,9.813754616,21.39704463,0.790157035,1.60118302,6.564592811,0.59303533,0.087846848,0.906026564,0.081849062,0.412030362,0.258342614,0.020571649,7.245474989,4.521810536,12.10927642,0.859039846,0.690944626,6.964289877,0.591647918,0.234278744,0.893978985,0.075947557,0.457169943,0.287821503,0.146312865,7.790216539,5.890603225,14.64614368,0.840968478,0.891304311,7.575274368,0.81362674,0.435977007,0.858399886,0.092196938,0.540430376,0.54476577,0.50669184,8.824878114,9.820813784,21.33281254,0.787599829,1.591887986,7.173709287,0.603136736,0.304005241,0.88774178,0.074637772,0.48461874,0.298752882,0.246364927,8.080851264,6.690929555,16.08712869,0.83161267,1.029736549,7.704904495,0.823603037,0.478484324,0.855435934,0.091440411,0.559072135,0.555141014,0.610312364,9.006991856,10.4265399,22.46988933,0.783153902,1.724525512,7.602142026,0.820139342,0.435662308,0.858228761,0.092588006,0.544296877,0.553757631,0.505960619,8.857943676,9.904086298,21.4783042,0.787343141,1.604015127 +UMLRON0062,L,2-Heptanone,CCCCCC(=O)C,8051,Co optima database values measured by NREL,Sandia,,C7H14O,PubChem,,69,0,-1.0494,1.10124036,23.4438,19.895102,0,0,20,6,14,0,6,0,0,0,0,0,0,0,0,0,879.809622,890.819837,853.57306,675.105483,478.348754,281.592025,84.835296,9.144576,0,2976.273833,3723.897138,4529.110611,4081.819666,3075.021321,2068.222976,1061.424631,279.7536999,0,139.301592,137.349428,253.934608,311.98206,249.09716,186.21226,123.32736,60.466176,0,22.95798067,29.53412034,40.09970387,39.0812073,30.05967844,21.03814958,12.01662072,4.001516144,0,3349.613265,2777.687448,5725.049994,7574.612576,6095.657421,4616.702266,3137.747111,1664.258868,0,31,36.75,55.5,61.25,49,37,24,9,0,43.9904811,46.88525458,23.71036278,15.00234407,13.28746539,10.42933426,4.713072,1.016064,0,148.8136916,195.9945862,125.8086281,90.70710369,85.41725893,76.60085098,58.96803508,31.08374443,0,6.9650796,7.228917263,7.053739111,6.932934667,6.919365556,6.89675037,6.85152,6.718464,0,1.147899033,1.554427386,1.113880663,0.868471273,0.834991068,0.779190725,0.66759004,0.444612905,0,167.4806632,146.1940762,159.0291665,168.3247239,169.3238172,170.9889728,174.3192839,184.917652,0,1.55,1.934210526,1.541666667,1.361111111,1.361111111,1.37037037,1.333333333,1,0,0.028984089,-0.004413788,-0.012762229,-8.59E-05,3.83E-05,-2.27E-04,-0.001768116,0.004726855,0,508.4772378,-59.32234441,-213.0761758,-18.15990135,-19.37056144,-20.58122153,-21.79188162,98.06346729,0,945.5351364,-110.3124326,-396.2242477,-33.76911202,-36.02038615,-38.27166028,-40.52293442,182.3532049,0,0.0996072,-0.01162084,-0.04174016,-0.0035574,-0.00379456,-0.00403172,-0.00426888,0.01920996,0,4.226981996,-0.4931479,-1.771306741,-0.150963643,-0.161027886,-0.171092128,-0.181156371,0.815203671,0,22.96103329,-2.678787217,-9.621766332,-0.820036903,-0.87470603,-0.929375157,-0.984044284,4.428199278,0,2.2,-0.69,-0.66,0.05,0.04,0.28,-0.48,0.36,0,0.001449204,-2.32E-04,-3.55E-04,-1.91E-06,1.06E-06,-8.41E-06,-9.82E-05,5.25E-04,0,25.42386189,-3.122228653,-5.918782662,-0.403553363,-0.538071151,-0.762267464,-1.21066009,10.89594081,0,47.27675682,-5.805917504,-11.0062291,-0.750424711,-1.000566282,-1.417468899,-2.251274134,20.26146721,0,0.00498036,-6.12E-04,-0.001159449,-7.91E-05,-1.05E-04,-1.49E-04,-2.37E-04,0.00213444,0,0.2113491,-0.025955153,-0.049202965,-0.003354748,-0.004472997,-0.006336745,-0.010064243,0.090578186,0,1.148051665,-0.140988801,-0.267271287,-0.018223042,-0.02429739,-0.034421302,-0.054669127,0.492022142,0,0.11,-0.036315789,-0.018333333,0.001111111,0.001111111,0.01037037,-0.026666667,0.04,0,-0.160298047,-0.244621349,-0.001317419,7.34E-04,-0.005805296,-0.067781105,0.362409973,0,-0.122807018,-0.232804233,-0.015873016,-0.021164021,-0.029982363,-0.047619048,0.428571429,0,-0.122807018,-0.232804233,-0.015873016,-0.021164021,-0.029982363,-0.047619048,0.428571429,0,-0.122807018,-0.232804233,-0.015873016,-0.021164021,-0.029982363,-0.047619048,0.428571429,0,-0.122807018,-0.232804233,-0.015873016,-0.021164021,-0.029982363,-0.047619048,0.428571429,0,-0.122807018,-0.232804233,-0.015873016,-0.021164021,-0.029982363,-0.047619048,0.428571429,0,-0.330143541,-0.166666667,0.01010101,0.01010101,0.094276094,-0.242424242,0.363636364,0,1.703412306,1.346838172,0.878190572,0.86706897,0.856170017,0.849963494,0,0,1.666666667,1.382275132,0.904761905,0.87962963,0.837742504,0.753968254,0,0,1.666666667,1.382275132,0.904761905,0.87962963,0.837742504,0.753968254,0,0,1.666666667,1.382275132,0.904761905,0.87962963,0.837742504,0.753968254,0,0,1.666666667,1.382275132,0.904761905,0.87962963,0.837742504,0.753968254,0,0,1.666666667,1.382275132,0.904761905,0.87962963,0.837742504,0.753968254,0,0,1.931818182,1.079545455,0.767676768,0.839646465,0.87962963,1.439393939,0,0,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,27.71532755,13.80210822,22.59542027,27.64125348,4.606875579,13.80211063,-0.111111111,1.11E-16,1.85E-17,-22.04208034,17.92897903,2.988163172,1.731851007,0,11.89,12.11007471,-0.170505165,0.049778506,5.038149357,6.699886583,5,19,19,19,5,0,0,0,0,0,15.304898,3.436281324,3.053015046,2.504096255,1.916358167,1.43391761,1.146847431,0.083923071,0.083923071,1.888548119,1.647951451,1.299263214,0.941680442,0.676640099,0.532894083,0.083923071,0.083923071,3.467521827,3.095177584,2.563348322,1.997662592,1.539036202,1.269940792,0.270913902,0.270913902,1.823869772,1.56562057,1.194989707,0.814897509,0.531179783,0.376646566,0.270913902,0.270913902,3.603669566,3.277764969,2.815596863,2.335009351,1.961838325,1.752167171,0.943918427,0.943918427,1.630594176,1.313531503,0.864013097,0.398039556,0.038578938,0.162221585,0.943918427,0.943918427,3.490474213,3.126113473,2.606620839,2.056575709,1.614413172,1.357364362,0.399277246,0.399277246,1.78241689,1.512301266,1.126481593,0.730495519,0.433323325,0.270879703,0.399277246,0.399277246,3.669198442,3.364561497,2.932470728,2.486225297,2.144866309,1.95552884,1.207644823,1.207644823,1.569371074,1.232013665,0.753158019,0.252901533,0.139147927,0.361314188,1.207644823,1.207644823,3.493977399,3.213334155,2.722251257,2.161020711,1.718428664,1.473804317,0.6,0.6,1.762609021,1.413761131,0.988653497,0.594869471,0.296896665,0.126026718,0.6,0.6,0,0,0,0,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,9.792794627,19.21485798,18.07843137,18.32,11.58988144,154.455091,0.489639731,0.960742899,0.903921569,0.916,0.579494072,7.722754551,2.5866,29.816,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,4.463611111,0,5.536388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.231805556,0,1.355,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.231805556,0,1.413194444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,1.666666667,0.2,2.231805556,0.2,1.355,4.596819444,0.145,0.231805556,0.927222222,0.145,0.231805556,0.927222222,3,0.5,0,0,0.42,0.7,0.42,0.42,0.7,0,0,0,0,0.71429,0,0,0.33333,0,0,2.5,0.41667,2.5,0.41667,0,0,-2.5,-0.41667,0,0,5.31294,0.88549,5.31294,0,0,2.91421,0.4857,2.91421,0,0,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,1,0.881290899,1.156779649,2.046439345,2.246439345,1.760964047,1.628771238,17.62581798,23.13559299,40.92878689,44.92878689,35.21928095,32.57542476,0.203911514,0.267653608,0.473501479,0.519777122,0.407448715,0.376862179,3.440637196,3.165148445,2.27548875,2.07548875,2.560964047,2.693156857,0.207463733,0.27231624,0.481750062,0.528831845,0.414546633,0.383427267,6.616095946,9.921960949,13.01701725,11.02014727,10.53087311,8.944559395,23.80204551,20.17438566,19.31564911,21.97319159,21.98911105,14.8301699,6,5,5.333333333,6,0,6,2.12,0.954,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,2.768,4,3,2,1,0,0,0,0,0,21,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,0,3.091042453,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.6,5,1,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,112.3323665,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,86.10955045,4.305477522,10.83915043,1.806525072,0,0,0,35,3,3.754,18,1.220894737,2.104070296,2.834050251,3.556820544,4.881273756,5.8487974,7.058444873,0,0,0,67.74862772,56.37357056,51.90472243,61.30004991,59.84703514,30.60323554,7.171831732,0,0,0,263.8372191,284.3497531,282.0632149,355.5308871,405.7006726,367.801601,219.4028965,0,0,0,8.859366903,14.89057627,19.6976071,24.77500676,33.76222334,40.18247011,47.42190778,0,0,0,2.030985313,2.466953736,2.60830871,3.32096827,4.016553242,4.087795125,3.138275679,0,0,0,176.3944505,331.0174697,473.6018424,589.7652507,827.274887,1010.85064,1305.231053,0,0,0,2.427907895,3.333899572,3.962337209,5.154990984,6.929041593,8.072260541,7.058444873,0,0,0,0.422269342,0.524366032,0.561891348,0.715934702,0.874478508,0.904865382,0.722784755,0,0,0,371.672533,129.2254233,9.068523388,158.7213439,-55.18522632,-9.513656563,212.9511891,184.4106496,18.58217995,0.700748159,0.243640488,0.017097715,0.299251841,-0.104045745,-0.017936965,197.1328357,68.54037323,4.809889277,84.18482894,-29.26990613,-5.045985188,0.07590715,0.187427247,1.576789125,12.44883377,530.3938769,0,1,0,310.4078457,17.6183951,6.770866172,446.0263509,21.11933595,7.640471717,448.2314128,21.1714764,7.653041995,2.517099006,2.517099006,439.289369,422.950533,36.39746535,1.038630607,12.06922968,11.6203293,3.714891546,4.466158665,7.63628977,0.709811572,3.904607748,4.742666667,2.113749516,15.95453913,7.51712365,0.143498814,2.772933281,8.479263225,4.128385499,1.14813862,2.188724667,0.073937918,1.544812114,1.267677695,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.327686671,4.742376672,0.141012467,4.09564635,0.055826524,0.001179269,0.400410397,0.334057283,2.006488095,0.045156318,0.017870597,0.008212694,0.127880219,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.05781252,4.742396602,0.479177174,5.015209275,0.559120835,0.010889559,0.884653971,1.327155112,2.345797934,0.17950658,0.166288302,0.012653829,0.413976048,0.093040371,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,3.685631203,4.742635023,1.970157411,14.69751032,6.699606821,0.127944204,2.627675359,7.743768261,3.965295942,1.048495653,1.951571477,0.066739285,1.456961205,1.129478003,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,1.559021026,4.742421941,0.730471884,6.092165063,1.207391242,0.023297864,1.217083562,2.207677715,2.606579016,0.298691829,0.355674901,0.018367328,0.611301281,0.202096118,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,4.715379333,4.742799601,2.671319746,21.21170237,10.95361546,0.208859005,3.31077362,11.47139688,4.769915791,1.553540596,3.185169978,0.104196167,1.871341804,1.848788779,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,2.409700782,4.353605973,1.10314419,8.23115965,2.713282391,0.051975439,1.711691777,3.694844283,3.395844781,0.500122112,0.797985751,0.035092097,1.103999159,0.45636397,1.29E-06,2.88E-33,1.23E-81,1.02E-151,1.63E-243,0,0,0,0,0,0,0,0,0,0,0,5.672933615,0.731154087,0.497572215,0.821966553,0.105938875,0.558961207,0.55695773,0.59997934,6.901659917,7.334284703,16.29976898,0.73294983,1.715898277,4.795134677,0.306135575,0.116399265,0.919018474,0.058672856,0.399871135,0.097072507,0.032834056,5.217669516,2.061745418,7.450284552,0.878527711,0.529777697,5.160908206,0.483481404,0.275302884,0.87182032,0.081673398,0.462914907,0.242862792,0.183673109,5.919692494,4.049119885,10.655749,0.80773048,0.889450808,5.652853217,0.721452622,0.48885876,0.823651121,0.105119528,0.555023015,0.542232007,0.57914973,6.863164599,7.194401023,16.05126157,0.735476682,1.676404752,5.316424902,0.558774506,0.342832262,0.855001258,0.089863567,0.491124774,0.324723371,0.28483111,6.218031671,4.984890603,12.22136814,0.782501887,1.100679255,5.735302567,0.761280769,0.524634206,0.816852993,0.108425749,0.571282404,0.603944185,0.667017548,7.021217542,7.77450539,17.08636797,0.72527949,1.842244137,5.675684185,0.721998554,0.489837932,0.824053307,0.104827062,0.55948857,0.543149712,0.581472098,6.887520671,7.231663455,16.12645953,0.73607996,1.68411038 +UMLRON0063,L,Hexane,CCCCCC,8058,,"Sandia, UML",[1],C6H14,PubChem,,24.8,0,-1.728,2.985984,17.4696,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,1010.869782,1162.251222,747.748011,169.670592,12.192768,0,0,0,2914.106344,3917.940807,5481.28267,4770.239364,2122.849263,373.0049332,0,0,0,125.864664,130.65468,256.377048,354.687852,246.65472,80.621568,0,0,0,22.06875486,30.09593172,46.12614087,45.76247316,24.03324144,5.335354858,0,0,0,2979.777961,2598.236709,5545.213194,8493.347862,6275.494221,2219.011824,0,0,0,25.5,31.5,55.5,66.75,42,12,0,0,0,48.76541633,56.15943233,32.28475617,14.66172571,4.713072,1.016064,0,0,0,161.8947969,217.6633782,152.2578519,93.53410519,58.96803508,31.08374443,0,0,0,6.992481333,7.258593333,7.121584667,6.954663765,6.85152,6.718464,0,0,0,1.226041937,1.671996207,1.281281691,0.897303395,0.66759004,0.444612905,0,0,0,165.54322,144.3464838,154.0336998,166.5362326,174.3192839,184.917652,0,0,0,1.416666667,1.75,1.541666667,1.308823529,1.166666667,1,0,0,0,0.025088129,2.17E-18,-0.012544065,-0.00836271,-3.25E-18,0.00836271,0,0,0,484.264036,5.04E-13,-242.132018,-161.4213453,-6.15E-13,161.4213453,0,0,0,900.5096538,2.98E-13,-450.2548269,-300.1698846,-4.33E-13,300.1698846,0,0,0,0.094864,1.35E-15,-0.047432,-0.031621333,-1.35E-15,0.031621333,0,0,0,4.025697139,2.94E-15,-2.01284857,-1.341899046,-4.00E-15,1.341899046,0,0,0,21.86765075,6.44E-14,-10.93382538,-7.289216918,-6.84E-14,7.289216918,0,0,0,1,-3.47E-16,-0.5,-0.333333333,1.80E-16,0.333333333,0,0,0,0.001393785,1.20E-19,-3.48E-04,-1.64E-04,-9.04E-20,6.97E-04,0,0,0,26.90355756,2.80E-14,-6.725889389,-3.165124418,-1.71E-14,13.45177878,0,0,0,50.0283141,1.66E-14,-12.50707852,-5.885684011,-1.20E-14,25.01415705,0,0,0,0.005270222,7.53E-17,-0.001317556,-6.20E-04,-3.74E-17,0.002635111,0,0,0,0.223649841,1.63E-16,-0.05591246,-0.026311746,-1.11E-16,0.111824921,0,0,0,1.214869486,3.58E-15,-0.303717372,-0.142925822,-1.90E-15,0.607434743,0,0,0,0.055555556,-1.93E-17,-0.013888889,-0.006535948,5.01E-18,0.027777778,0,0,0,8.64E-17,-0.25,-0.117647059,-6.48E-17,0.5,0,0,0,1.04E-15,-0.25,-0.117647059,-6.35E-16,0.5,0,0,0,3.31E-16,-0.25,-0.117647059,-2.41E-16,0.5,0,0,0,1.43E-14,-0.25,-0.117647059,-7.10E-15,0.5,0,0,0,7.31E-16,-0.25,-0.117647059,-4.96E-16,0.5,0,0,0,2.94E-15,-0.25,-0.117647059,-1.56E-15,0.5,0,0,0,-3.47E-16,-0.25,-0.117647059,9.02E-17,0.5,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,0,11.9,12.1000824,-0.152797442,0.047284962,6.45375,6.653832404,6,18,18,18,6,0,0,0,0,0,13.118484,3.573186822,2.750129472,2.750129472,1.456797487,1.456797487,1.056465515,0.083923071,0.083923071,1.972542445,1.372874417,1.372874417,0.666206401,0.666206401,0.489263751,0.083923071,0.083923071,3.600648477,2.792995694,2.792995694,1.556142907,1.556142907,1.185878035,0.270913902,0.270913902,1.914964133,1.285229005,1.285229005,0.522081792,0.522081792,0.329734575,0.270913902,0.270913902,3.72034929,2.981537655,2.981537655,1.9628467,1.9628467,1.687973407,0.943918427,0.943918427,1.74405498,1.018928274,1.018928274,0.037619229,0.037619229,0.223569137,0.943918427,0.943918427,3.620820476,2.824624264,2.824624264,1.62787375,1.62787375,1.27745173,0.399277246,0.399277246,1.878174485,1.228596505,1.228596505,0.425347018,0.425347018,0.22154323,0.399277246,0.399277246,3.778078745,3.072480534,3.072480534,2.141548494,2.141548494,1.897819044,1.207644823,1.207644823,1.690174221,0.933903671,0.933903671,0.135164289,0.135164289,0.429566078,1.207644823,1.207644823,3.666666667,2.896805253,2.896805253,1.786299648,1.786299648,1.474809634,0.666666667,0.666666667,1.808142967,1.119632981,1.119632981,0.230138587,0.230138587,1.46E-16,0.666666667,0.666666667,0,0,0,0,0,0,6,0,0,0,0,0,0.125,0,0,0,0,0.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.3406,27.702,21,27,42,7,21,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,36,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,1.5,0.2,1.5,0.2,1.5,4.338,0,0,0,0,0,0,3,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0,0,0,3,0.5,3,0.5,0,0,-3,-0.5,0,0,5,0.83333,5,0,0,3,0.5,3,0,0,-0.086,-0.01433,0,0,0.333333333,6,0,0,0,0,0,0,1,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,16.52932501,16.52932501,16.52932501,16.52932501,16.52932501,16.52932501,0.220218789,0.220218789,0.220218789,0.220218789,0.220218789,0.220218789,3.251629167,3.251629167,3.251629167,3.251629167,3.251629167,3.251629167,0.220218789,0.220218789,0.220218789,0.220218789,0.220218789,0.220218789,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,23.69925001,23.69925001,23.69925001,23.69925001,23.69925001,23.69925001,4.166666667,2.222222222,1.333333333,0,0,0,2.12,0.8454,0,0,0,0,9.125465128,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.071,0.064,0.277,0.248,3.124,6,6,6,6,0,0,0,0,0,36,1.945910149,1.945910149,1.945910149,1.945910149,1.945910149,0,0,0,0,0,3.610917913,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,13,18,3,9.000420062,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,0,99.97590776,3.584962501,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,65.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921172722,84.09390038,4.671883355,11.8125,1.96875,0,0,0,27,3,3.414,24,1.215665947,2.074379101,2.769165856,3.596574681,4.089693115,0,0,0,0,0,77.3164608,74.52439015,41.96284432,16.39683731,4.155389945,0,0,0,0,0,285.7401037,335.9609385,270.4409159,207.9038666,127.1229756,0,0,0,0,0,8.852968597,14.81260568,19.31492079,24.62206198,27.47645596,0,0,0,0,0,2.147256838,2.776238206,2.577511614,2.367619398,1.818330336,0,0,0,0,0,173.6750992,316.7529272,456.6693335,628.5407219,756.2564483,0,0,0,0,0,2.178748381,3.259578383,3.694505166,4.171025122,4.089693115,0,0,0,0,0,0.444517095,0.584941195,0.556932658,0.526378009,0.418784575,0,0,0,0,0,290.9713009,92.17524248,7.681270207,76.20008249,-24.13901666,-4.023169444,214.7712184,116.3142591,11.70443965,0.792467262,0.251041466,0.020920122,0.207532738,-0.065743186,-0.010957198,106.8363351,33.84411129,2.820342608,27.9784897,-8.863156141,-1.47719269,0.083333333,0.166666667,1.81032095,0.471729772,367.1713834,0,1,0,434.5588978,20.84607632,7.574422894,550.8033308,23.46919962,8.197199771,642.6816409,25.35116646,8.62975828,1.169090596,1.154177849,182.6124473,110.2037714,101.5087077,1.657043538,1.798983076,1.085658303,3.079233852,3.651473827,4.684853365,0.283003408,3.347426595,3.674795795,4.905934579,8.466492148,13.26323839,3.209175198,6.437626672,0.50634263,9.37E-05,2.52E-29,1.32E-75,1.33E-143,2.61E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.281494244,3.674127838,0.388853104,2.220720186,0.746388657,0.243584491,0.046575979,0.003566213,6.60E-07,1.78E-31,9.29E-78,9.39E-146,1.84E-235,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.9073164,3.674173318,1.270328772,2.643423609,2.631529279,0.803280818,0.475658966,0.037162684,6.87E-06,1.85E-30,9.68E-77,9.79E-145,1.92E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.159732414,3.674722759,4.615054378,7.782653239,12.26000737,3.011476539,5.736660006,0.451142167,8.35E-05,2.25E-29,1.18E-75,1.19E-143,2.33E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336923691,3.674231519,1.887476386,3.18662964,4.124501233,1.201047437,1.030155174,0.080722316,1.49E-05,4.03E-30,2.10E-76,2.13E-144,4.16E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.042373668,3.675102714,5.999223782,11.34074458,17.24679984,3.959498418,9.384644447,0.738453138,1.37E-04,3.68E-29,1.92E-75,1.95E-143,3.81E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.231824381,3.674423282,3.20451608,4.979628373,7.754366674,2.065050348,2.864737904,0.225041169,4.16E-05,1.12E-29,5.86E-76,5.93E-144,1.16E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.720708356,1.540540271,0.622950455,0.443002102,0.396617227,0.592858473,0.540562305,0.424527571,3.884199082,4.682416834,10.21794576,0.259428993,1.557948348,1.137361705,1.034426015,0.172942371,0.485071484,0.441170614,0.258820991,0.243723903,0.032483827,2.344730091,1.552110653,4.100310303,0.389363148,0.535028721,1.369017678,1.235438217,0.35170131,0.463107197,0.417920338,0.375104478,0.347649494,0.13477387,2.956157205,2.607327309,6.158329868,0.321541302,0.857527842,1.70626349,1.528010311,0.611812367,0.443636314,0.397289672,0.582935372,0.531804754,0.409422214,3.846086168,4.585956914,10.02715307,0.261388978,1.52416234,1.472289886,1.325037604,0.431367945,0.456001477,0.410394114,0.433890576,0.399904231,0.20300516,3.228695436,3.157516875,7.227741921,0.299593387,1.036799966,1.76593219,1.579768228,0.657820025,0.441094835,0.39459477,0.624468349,0.568442316,0.473597785,4.003520443,4.990632298,10.82931508,0.253534408,1.66650845,1.710082389,1.531322963,0.61475705,0.443467419,0.397110599,0.585550657,0.534113107,0.413388993,3.856162402,4.611365223,10.0773848,0.260867028,1.533052757 +UMLRON0064,L,Cyclohexane,C1CCCCC1,8078,[9] has RON of 84,"Sandia, UML",[1],C6H12,PubChem,,83,0,0.403,0.162409,25.0454,17.22793,0,0,16,6,10,0,6,0,0,0,0,0,0,0,0,0,875.745366,986.655606,1111.790742,692.207211,137.327904,8.128512,0,0,0,2851.938855,3688.467574,4960.168716,4093.706688,1644.706075,248.6699554,0,0,0,112.427736,116.419416,214.469592,279.188076,178.671744,53.747712,0,0,0,21.17952905,27.8688431,40.78273782,38.19600558,18.24924958,3.556903239,0,0,0,2609.942657,2291.991614,4562.887699,6586.434107,4489.90791,1479.341216,0,0,0,27,32.75,53.5,59.25,33,8,0,0,0,54.73408538,61.66597537,37.0596914,17.30518028,5.281842462,1.016064,0,0,0,178.2461784,230.5292234,165.3389572,102.3426672,63.25792595,31.08374443,0,0,0,7.0267335,7.2762135,7.1489864,6.9797019,6.871990154,6.718464,0,0,0,1.323720566,1.741802694,1.359424594,0.95490014,0.701894215,0.444612905,0,0,0,163.121416,143.2494759,152.0962566,164.6608527,172.6887658,184.917652,0,0,0,1.6875,2.046875,1.783333333,1.48125,1.269230769,1,0,0,0,0.035879452,1.34E-04,-0.01831324,-0.010018029,3.74E-04,0.009884073,0,0,0,453.9975338,3.84E-13,-215.6488285,-136.1992601,-11.34993834,136.1992601,0,0,0,844.2278004,1.28E-13,-401.0082052,-253.2683401,-21.10569501,253.2683401,0,0,0,0.088935,1.38E-15,-0.042244125,-0.0266805,-0.002223375,0.0266805,0,0,0,3.774091068,1.28E-15,-1.792693257,-1.13222732,-0.094352277,1.13222732,0,0,0,20.50092258,5.02E-14,-9.737938226,-6.150276775,-0.512523065,6.150276775,0,0,0,2,0.25,-0.875,-0.75,-0.125,0.5,0,0,0,0.002242466,8.37E-06,-6.10E-04,-2.50E-04,1.44E-05,0.001235509,0,0,0,28.37484586,2.40E-14,-7.188294284,-3.404981503,-0.43653609,17.02490752,0,0,0,52.76423752,7.99E-15,-13.36694017,-6.331708503,-0.8117575,31.65854251,0,0,0,0.005558437,8.60E-17,-0.001408137,-6.67E-04,-8.55E-05,0.003335062,0,0,0,0.235880692,7.98E-17,-0.059756442,-0.028305683,-0.003628934,0.141528415,0,0,0,1.281307661,3.14E-15,-0.324597941,-0.153756919,-0.019712426,0.768784597,0,0,0,0.125,0.015625,-0.029166667,-0.01875,-0.004807692,0.0625,0,0,0,0.003733518,-0.272218804,-0.111685424,0.006406312,0.550960084,0,0,0,8.45E-16,-0.253333333,-0.12,-0.015384615,0.6,0,0,0,1.51E-16,-0.253333333,-0.12,-0.015384615,0.6,0,0,0,1.55E-14,-0.253333333,-0.12,-0.015384615,0.6,0,0,0,3.38E-16,-0.253333333,-0.12,-0.015384615,0.6,0,0,0,2.45E-15,-0.253333333,-0.12,-0.015384615,0.6,0,0,0,0.125,-0.233333333,-0.15,-0.038461538,0.5,0,0,0,1.154792043,1.311020534,1.019188882,0.794976307,0.094471504,0,0,0,1.25,1.333333333,1,0.769230769,0,0,0,0,1.25,1.333333333,1,0.769230769,0,0,0,0,1.25,1.333333333,1,0.769230769,0,0,0,0,1.25,1.333333333,1,0.769230769,0,0,0,0,1.25,1.333333333,1,0.769230769,0,0,0,0,1.0546875,1.3125,1.078125,0.793269231,0,0,0,0,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,21.59580837,9.436456808,14.31225401,21.59580837,3.599301396,9.436862402,-0.111111111,0.145144578,0.024190763,-1.158014968,22.36835534,3.728059223,1.864588351,0,11.9,12.1000824,-0.164817529,0.042219604,6.532585361,6.775229999,6,16,15,15,5,1,1,0,0,1,10.93207,3.613534503,2.766129411,2.670733644,1.426915667,1.280358167,0.745385601,0.083923071,0.083923071,1.956102786,1.306637636,1.289247512,0.613571465,0.574012486,0.259946685,0.083923071,0.083923071,3.635963716,2.800130939,2.714019583,1.523146265,1.388936179,0.882843159,0.270913902,0.270913902,1.904564498,1.216636457,1.211610963,0.471095317,0.422928919,0.092720276,0.270913902,0.270913902,3.735659072,2.952913657,2.905601615,1.920183444,1.829282018,1.415929732,0.943918427,0.943918427,1.755782541,0.983897868,0.943775969,0.006408762,0.090576956,0.490411682,0.943918427,0.943918427,3.652542714,2.825381442,2.746030809,1.592839035,1.467119469,0.980162006,0.399277246,0.399277246,1.871998278,1.162145352,1.158511608,0.37555048,0.321126922,0.020920637,0.399277246,0.399277246,3.784885575,3.028693114,2.99852718,2.095780148,2.020397398,1.637930713,1.207644823,1.207644823,1.710226487,0.913781604,0.857043734,0.175873707,0.276154994,0.708677935,1.207644823,1.207644823,3.70535128,2.898715639,2.750631765,1.693321354,1.575987379,1.172323917,0.6,0.6,1.83694185,1.119307666,1.046222152,0.22999262,0.183294425,0.21942738,0.6,0.6,0,0,0,2,0,0,4,0,0,0,0,0,0.125,0,0,0,0,0.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,3.983127663,2.649829914,1.755861571,1.15824829,0.760079655,0.5,0,0,0.663854611,0.441638319,0.292643595,0.193041382,0.126679943,0.083333333,0,0,8.709139019,15.43918427,14.62745098,14.8,9.992772455,121.8839701,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,2.04279,27.338,21,27,42,7,21,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,36,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,4,2,0,2,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.534722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.632638889,0,0,1.067361111,0.580555556,0,0.632638889,0,0,0,0,0,0,0,0,0,0,5.465277778,0,4.534722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.243402778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,0,0,1.319444444,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.290277778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,0,0,1.413194444,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,1.666666667,0.316319444,2.267361111,0.243402778,1.319444444,3.903986111,0.180555556,0.267361111,1.069444444,0.180555556,0.267361111,1.069444444,3,0.5,0,0,0.45,0.7,0.43333,0.43333,0.7,0.01667,0.01667,0,0,0.71429,0,0,0,0,0,4,0.66667,3,0.5,1,0.16667,-2,-0.33333,0,0,4.06658,0.67776,5,0.93342,0.15557,2.45711,0.40952,3,0.54289,0.09048,-0.086,-0.01433,0,0,0.375,6,0,0,0,0,0,0,0.666666667,0.954434003,2,2.5,2.5,2.5,2.5,15.27094405,32,40,40,40,40,0.238608501,0.5,0.625,0.625,0.625,0.625,3.045565997,2,1.5,1.5,1.5,1.5,0.233502796,0.489301084,0.611626355,0.611626355,0.611626355,0.611626355,6.794779896,14.3818469,14.88575942,14.88575942,14.88575942,14.88575942,23.34095565,18.25,18.25,18.25,18.25,18.25,4.166666667,2.222222222,1.333333333,0,2,0,2.12,0.8024,0,0,0,0,9.125465128,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.093,0.088,0.377,0.384,3.064,6,6,6,6,0,0,0,0,0,36,2.079441542,2.197224577,2.302585093,2.397895273,2.48490665,0,0,0,0,0,3.951243719,1.416666667,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,13,18,3,9.000420062,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,0,97.33944905,3.584962501,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,65.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921172722,82.07825032,5.129890645,11.8125,1.96875,0,0,0,27,3,2.898,24,1.286936261,2.275065463,3.045601428,3.84949883,4.532904867,0,0,0,0,0,93.9252279,94.06960818,53.8150092,19.94454114,4.60572145,0,0,0,0,0,330.7071423,402.474825,321.5908996,240.5855778,140.8996564,0,0,0,0,0,9.410629108,16.31781763,21.30693373,26.43975728,30.45415816,0,0,0,0,0,2.426230269,3.248692958,2.989133528,2.678545282,2.015388,0,0,0,0,0,181.4513105,342.2803903,497.5287393,665.877226,838.2141248,0,0,0,0,0,2.737411054,4.165488916,4.597849607,4.852030788,4.532904867,0,0,0,0,0,0.500046334,0.681569136,0.643190798,0.593103484,0.464169458,0,0,0,0,0,242.435527,83.40823319,8.511748464,52.8651831,-18.18789339,-4.081485751,189.5703439,101.5961266,12.59323421,0.820978476,0.282451854,0.028824003,0.179021524,-0.061591093,-0.013821456,71.59138327,24.63051049,2.513525365,15.61112611,-5.370897834,-1.20526564,0.165373633,0.25558303,4.163263164,7.065174885,295.3007101,0,1,0,361.2160785,19.00568542,7.12178772,458.5110639,21.41287145,7.711104817,536.3589506,23.15942466,8.124909099,1.591158247,1.138944581,211.8600743,127.6170743,109.9160316,1.660123267,1.927472009,1.1610415,3.317739965,3.820078341,5.196394925,0.360284911,2.952467598,2.263616531,3.443858116,12.12771831,9.317275169,6.9358737,7.159935865,2.410155523,1.266887611,1.19E-04,9.14E-29,1.57E-74,5.30E-142,3.45E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.247913349,2.263447887,0.379470893,3.666571163,3.904138074,0.491047765,0.360400875,0.016975429,0.008922793,8.40E-07,6.44E-31,1.11E-76,3.73E-144,2.43E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.79997053,2.263459501,0.985108747,4.898160853,4.60084078,1.645145652,1.321879013,0.17689308,0.092982383,8.75E-06,6.71E-30,1.16E-75,3.89E-143,2.53E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.786896725,2.263598138,3.249229565,11.43443763,8.841467136,6.484218024,6.592808645,2.147405529,1.128774053,1.06E-04,8.14E-29,1.40E-74,4.72E-142,3.07E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.178940479,2.263474247,1.406759638,5.890735988,5.200318464,2.485329129,2.108526014,0.384234162,0.201970161,1.90E-05,1.46E-29,2.51E-75,8.45E-143,5.50E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.565502017,2.263693796,4.172460898,14.89365929,11.24295583,8.67299328,9.431048075,3.514983669,1.847636516,1.74E-04,1.33E-28,2.30E-74,7.73E-142,5.03E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.724264565,2.043236862,2.398474834,7.423130172,6.508416274,3.791344942,3.597253837,0.867657208,0.45607954,4.29E-05,3.29E-29,5.67E-75,1.91E-142,1.24E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.006735584,1.859520329,0.523146333,0.457177418,0.423638624,0.451826091,0.512962296,0.309917736,4.389402245,5.754183214,12.09574032,0.321224063,1.274706122,1.413652651,1.182850501,0.156335159,0.513525493,0.429683972,0.224206395,0.207605264,0.027297005,2.752838311,2.07806448,5.092317025,0.414814198,0.459108664,1.635970335,1.436577288,0.294004789,0.485948274,0.426720607,0.300181725,0.306152154,0.097148349,3.366552413,3.253541544,7.311063373,0.369003322,0.703482228,1.990639793,1.841170618,0.513210115,0.458142782,0.423742674,0.444581904,0.502882376,0.298176079,4.345020526,5.631631359,11.85762213,0.322828185,1.245640359,1.740454894,1.555805948,0.358633677,0.476198392,0.425677387,0.339734953,0.359062645,0.144905715,3.654894519,3.889960222,8.515966625,0.352813669,0.843703314,2.057642801,1.917545608,0.554565088,0.454250502,0.423322287,0.47514535,0.545501506,0.34855026,4.529753497,6.150124626,12.8679834,0.316359183,1.369197116,1.997472511,1.840329017,0.51400663,0.458998292,0.42288836,0.447573162,0.502434673,0.299144436,4.351808158,5.648662054,11.88996199,0.322829979,1.249152271 +UMLRON0065,L,cyclohexene,C1CCC=CC1,8079,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C6H10,PubChem,,83.9,0,-0.2281,0.05202961,23.255,14.936344,0,0,14,6,8,0,5,0,1,0,0,0,0,0,0,0,985.417118,1058.241166,1170.205774,697.642055,115.057152,4.064256,0,0,0,2582.645241,3217.419542,4130.394749,3229.301399,1163.284404,124.3349777,0,0,0,104.802008,107.170888,191.327944,219.96074,128.832768,26.873856,0,0,0,18.14460724,22.74263448,31.2484987,27.88826194,12.19693088,1.778451619,0,0,0,2298.764282,2038.844463,3914.762988,4987.172163,3138.28036,739.6706081,0,0,0,35,36.75,58.5,55.25,28,4,0,0,0,70.386937,75.58865471,46.80823096,23.25473517,6.392064,1.016064,0,0,0,184.4746601,229.8156816,165.21579,107.64338,64.62691132,31.08374443,0,0,0,7.485857714,7.655063429,7.65311776,7.332024667,7.157376,6.718464,0,0,0,1.296043374,1.624473891,1.249939948,0.929608731,0.677607271,0.444612905,0,0,0,164.1974487,145.6317473,156.5905195,166.2390721,174.3489089,184.917652,0,0,0,2.5,2.625,2.34,1.841666667,1.555555556,1,0,0,0,0.155780344,-0.03001935,-0.047153135,-0.012832825,1.80E-04,0.011934706,0,0,0,480.0001234,23.93825486,-200.9974523,-132.9940112,-29.96399669,100.0171436,0,0,0,703.208428,-52.78314186,-271.0083,-171.7802629,-0.568480494,144.5359712,0,0,0,1.006693714,0.021013714,-0.308297633,-0.193929388,-0.090627918,0.068494367,0,0,0,3.155024204,-0.551406672,-1.057056844,-0.633247101,0.1226619,0.541536615,0,0,0,17.60532202,-3.547217023,-5.599446076,-3.282935253,0.84704424,2.779893101,0,0,0,6.428571429,1.035714286,-1.908163265,-2.096938776,-0.979591837,0.734693878,0,0,0,0.011127167,-0.002144239,-0.001886125,-4.28E-04,1.00E-05,0.002983676,0,0,0,34.2857231,1.709875347,-8.039898091,-4.433133707,-1.664666483,25.0042859,0,0,0,50.22917343,-3.770224418,-10.840332,-5.726008764,-0.03158225,36.13399281,0,0,0,0.071906694,0.00150098,-0.012331905,-0.006464313,-0.005034884,0.017123592,0,0,0,0.225358872,-0.039386191,-0.042282274,-0.021108237,0.00681455,0.135384154,0,0,0,1.257523002,-0.253372645,-0.223977843,-0.109431175,0.047058013,0.694973275,0,0,0,0.459183673,0.073979592,-0.076326531,-0.069897959,-0.054421769,0.183673469,0,0,0,-0.192703068,-0.169506338,-0.038442923,9.01E-04,0.268143389,0,0,0,0.049871351,-0.234496967,-0.1292997,-0.04855276,0.729291484,0,0,0,-0.075060451,-0.215817447,-0.113997671,-6.29E-04,0.719382589,0,0,0,0.02087399,-0.171498711,-0.089898625,-0.070019689,0.23813627,0,0,0,-0.17477098,-0.187621962,-0.093664991,0.030238659,0.600749164,0,0,0,-0.201485495,-0.178110335,-0.087021212,0.037421195,0.552652535,0,0,0,0.161111111,-0.166222222,-0.152222222,-0.118518519,0.4,0,0,0,1.084752426,1.358830192,0.898438886,0.810751306,0.074005284,0,0,0,0.967587004,1.234922033,1.021922742,0.884613824,0,0,0,0,1.23459213,1.200117629,0.989483988,0.779347212,0,0,0,0,0.847985541,1.379366594,0.972026069,0.860180862,0,0,0,0,1.406567765,1.20688573,0.953997819,0.695331859,0,0,0,0,1.446584752,1.213788475,0.943076608,0.672822407,0,0,0,0,0.722222222,1.294222222,1.044814815,0.954938272,0,0,0,0,16.74760758,7.82144727,11.6520611,16.74760758,2.791267931,7.823155305,0.25,0.063561946,0.010593658,-1.65344419,21.54644904,3.59107484,1.842126615,16.74844728,7.82298364,11.65422093,16.74844728,2.791407879,7.824688214,0.249265579,0.063619934,0.010603322,-1.652897055,21.54713969,3.591189949,1.842145847,18.88779907,9.23488445,13.74677787,18.75480091,3.125800152,9.235201402,-0.398994478,0.099543305,0.016590551,-1.384297505,18.21345264,3.03557544,1.741296286,16.74933066,7.824596251,11.65648825,16.74933066,2.791555111,7.826297201,0.2484948,0.063680645,0.010613441,-1.652324763,21.5478443,3.591307384,1.842165467,23.00476907,10.81242483,16.38278057,22.64400431,3.774000719,10.81249083,-1.082294264,0.18318402,0.03053067,-1.018358436,50.18210123,8.363683539,2.349395048,16.84619677,7.983147996,11.88091559,16.84619677,2.807699461,7.984531433,0.173134186,0.068991197,0.011498533,-1.60426582,21.52035038,3.586725063,1.84139941,19.70510501,8.154383252,12.58446438,19.70510501,3.284184168,8.156322065,0.414285714,0.003016331,5.03E-04,-3.482228391,26.38995713,4.398326188,1.963790116,0,11.99687761,15.99741729,-0.376622818,0.076563261,5.518438093,6.525760863,6,14,13,13,5,1,1,0,0,1,10.661656,3.582833994,2.766112948,2.546770855,1.313848635,1.074876922,0.545958811,0.083923071,0.083923071,1.861865872,1.289592921,1.048324898,0.582468855,0.296505294,0.083923071,0.083923071,0.083923071,3.548227946,2.800126578,2.449521375,1.413917705,1.062017481,0.452600516,0.270913902,0.270913902,1.843318929,1.211677749,1.019387725,0.433364447,0.149294136,0.270913902,0.270913902,0.270913902,3.690426719,2.95286547,2.740455183,1.848554307,1.553578817,1.094330097,0.943918427,0.943918427,1.661262971,0.983824016,0.66884406,0.074172869,0.4098025,0.943918427,0.943918427,0.943918427,3.549939419,2.825381392,2.44238405,1.489836002,1.118544834,0.43193193,0.399277246,0.399277246,1.831877601,1.162110566,1.000085829,0.333081052,0.054236832,0.399277246,0.399277246,0.399277246,3.724820994,3.028602209,2.801588298,2.036130554,1.731762247,1.208341272,1.207644823,1.207644823,1.624118166,0.9137525,0.599366198,0.256731305,0.596870173,1.207644823,1.207644823,1.207644823,3.775567032,2.882802022,2.803335827,1.599799781,1.489950737,1.046113226,0.588235294,0.588235294,1.728315802,1.067433182,0.760368502,0.206930839,0.165479701,0.588235294,0.588235294,0.588235294,0,0,1,1,0,1,2,0,0,0,0,0,0.125,0,0,0,0,0.048112522,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,3.684269172,2.265959019,1.384804361,0.825429599,0.488641942,0.288675135,0,0,0.614044862,0.377659836,0.230800727,0.1375716,0.081440324,0.048112522,0,0,7.88211032,13.8820102,13.25098039,13.44,8.674457485,107.0102359,0.56300788,0.991572157,0.946498599,0.96,0.619604106,7.643588281,1.23669,24.056,21,27,42,7,21,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,36,0,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,1,0,2,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.888888889,3.8125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.99375,0,0,1.200694444,0.352777778,0,0.99375,0,0,0,0,0,0,0,0,0,0,3.298611111,0,3.8125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.888888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.888888889,1.767361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.427430556,0,0,0.352777778,0.352777778,0,0.427430556,0,0,0,0,0,0,0,0,0,0,0.913194444,0,1.767361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.888888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.888888889,2.045138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.566319444,0,0,0.493402778,0.352777778,0,0.566319444,0,0,0,0,0,0,0,0,0,0,1.194444444,0,2.045138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.888888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,2,0.566319444,4.888888889,0.305555556,0.913194444,2.657430556,0.586805556,1.388888889,2.868055556,0.586805556,1.388888889,2.868055556,2.83333,0.47222,0,0.02778,0.52619,0.82778,0.43333,0.49792,0.82778,0.09286,0.02827,-0.06458,0,0.57047,0.14382,0,0,0,0,5,0.83333,3.5,0.58333,1.5,0.25,-2,-0.33333,0,0,3.19857,0.5331,5,1.80143,0.30024,1.95328,0.32555,3,1.04672,0.17445,-0.086,-0.01433,0,0,0.428571429,6.01,1,1,1,1,0,0,0.6,1.263809174,2.556656707,3.378783493,3.378783493,3.378783493,3.378783493,17.69332843,35.7931939,47.30296891,47.30296891,47.30296891,47.30296891,0.331938892,0.671504695,0.887435914,0.887435914,0.887435914,0.887435914,2.543545748,1.250698215,0.428571429,0.428571429,0.428571429,0.428571429,0.3234821,0.654396801,0.864826749,0.864826749,0.864826749,0.864826749,11.18095047,21.59928596,22.42784591,22.42784591,22.42784591,22.42784591,21.78168418,14.27964528,13.28446114,13.28446114,13.28446114,13.28446114,4.166666667,2.222222222,1.333333333,0,3,0,1.9,0.7202,0,0,0,0,6.083643419,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.424,0.418,0.562,0.397,2.924,6,6,6,6,0,0,0,0,0,36,2.079441542,2.197224577,2.302585093,2.397895273,2.48490665,0,0,0,0,0,3.951243719,1.416666667,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,13,18,3,9.000420062,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,9.23,88.83369113,3.584962501,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,65.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921172722,84.05751488,6.004108205,11.8125,1.96875,2.9375,2.9375,0,27,3,1.115,24,1.308864216,2.300632352,3.116454489,4.014047624,4.774513292,0,0,0,0,0,114.846402,119.8233617,72.94590177,24.69595505,4.851211073,0,0,0,0,0,333.6338713,409.5192865,346.5031558,254.7345587,148.4097509,0,0,0,0,0,10.11398962,17.64707097,22.91646803,28.60518121,32.07739567,0,0,0,0,0,2.289566495,3.04569768,2.990897678,2.695471747,2.122810224,0,0,0,0,0,188.1154147,355.8906388,513.5603624,700.8222421,882.8917874,0,0,0,0,0,3.644731871,5.535843033,5.843430925,6.107005933,4.774513292,0,0,0,0,0,0.514714634,0.70159544,0.690602096,0.632359816,0.488910161,0,0,0,0,0,229.4305442,108.0159677,11.32811866,51.0629643,-24.04045862,-10.0494286,178.3675799,132.0564263,21.37754727,0.817953133,0.385092576,0.040386384,0.182046867,-0.085707718,-0.035827669,64.35377831,30.29777776,3.177463748,14.32283001,-6.743192584,-2.818799488,0.188405126,0.750534897,7.081274491,18.40334269,255.973206,24.52030247,0.912581569,0.087418431,409.0720111,20.2255287,7.423349737,486.9929244,22.06791618,7.867574857,602.213091,24.54003038,8.444683892,1.168293108,1.036298759,214.3802122,128.4662423,107.3988812,1.668766894,1.996112156,1.196159969,3.275874116,3.511567905,5.001891855,0.424404138,2.394522202,2.23026856,6.788774496,8.586255264,5.549843779,6.000698854,4.97462757,1.864348043,2.00953565,1.91E-11,5.54E-44,3.40E-98,4.08E-174,9.48E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.200956851,2.641499821,0.624561735,3.330334297,2.537114575,0.498036943,0.280485607,0.01313079,0.014153324,1.35E-13,3.90E-46,2.39E-100,2.88E-176,6.67E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.648710018,1.876809159,1.530045856,3.324053318,2.57121827,1.39079833,0.974492668,0.136832687,0.147488547,1.40E-12,4.07E-45,2.49E-99,3.00E-175,6.95E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.260233864,2.639920004,6.972582625,8.820378078,5.659454329,6.094434954,4.643073553,1.661100565,1.790460086,1.70E-11,4.94E-44,3.03E-98,3.64E-174,8.44E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.956078629,1.586219307,2.082452864,3.673093469,2.720180719,1.942230181,1.516851144,0.297218796,0.320364833,3.05E-12,8.83E-45,5.42E-99,6.51E-175,1.51E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.891732217,2.489739463,8.966385767,10.48475138,6.948612933,7.774254771,6.503449825,2.718976294,2.930718887,2.79E-11,8.08E-44,4.96E-98,5.95E-174,1.38E-271,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.367593281,4.089236646,4.745861482,7.996157181,4.781167633,4.182674738,2.655300818,0.645103207,0.695341055,6.62E-12,1.92E-44,1.18E-98,1.41E-174,3.28E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.274313156,1.490995656,0.525030898,0.53010095,0.347523916,0.618045437,0.563210742,0.46048828,4.290339711,5.367894506,11.43860929,0.316437299,1.64174446,1.450206578,1.218313041,0.12847137,0.518488112,0.435579895,0.242930012,0.338737957,0.029697321,2.796990989,2.109633957,5.133608879,0.431102011,0.61136529,1.835996257,1.235248319,0.281564661,0.547599379,0.368421891,0.393831306,0.391481918,0.138354909,3.352809237,3.132665227,7.124038136,0.374031905,0.923668133,2.197194827,1.506986068,0.502035632,0.522368455,0.358275913,0.576536753,0.577029989,0.426763488,4.206216527,5.17077279,11.03930058,0.320966552,1.58033023,2.019337453,1.26541588,0.359482419,0.554118227,0.347237656,0.48001112,0.410216298,0.22059573,3.644235752,3.736112754,8.298934534,0.352033824,1.110823149,2.318801357,1.535121671,0.555300161,0.525897932,0.34816148,0.644382381,0.595040182,0.513387117,4.409223189,5.699726291,12.08561937,0.311089118,1.752809681,2.235957425,1.492382337,0.51002649,0.527551724,0.352112642,0.596236323,0.565675985,0.436910552,4.238366251,5.238455407,11.17873077,0.319496549,1.59882286 +UMLRON0066,L,dihydropyran,C1CC=COC1,8080,,UML,[1],C5H8O,PubChem,,66.5,0,-0.1376,0.01893376,32.1441,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1201.620678,1038.308381,843.58378,646.827051,450.070322,253.313593,67.647888,3885.475125,4800.404174,5918.743752,5679.440657,4734.809801,3728.011456,2721.213111,1714.414766,791.2692929,167.819552,166.665724,297.885336,383.205812,333.75784,270.87294,207.98804,145.10314,82.617408,29.42500648,37.33900896,50.80061251,52.22949897,44.09719592,35.07566706,26.0541382,17.03260934,8.680011884,3973.037281,3337.521256,6559.333793,9116.771878,8007.652027,6528.696872,5049.741717,3570.786562,2060.036303,44.25,50,71.25,82,71.75,59.5,47.5,35,20,48.76541633,52.3287937,28.61001614,18.8783342,17.57466208,16.585309,15.00234407,12.06255205,5.637324,161.8947969,208.713225,140.9224703,103.2625574,98.64187085,95.59003733,90.70710369,81.63879838,65.93910774,6.992481333,7.246335826,7.092508,6.9673784,6.953288333,6.94546,6.932934667,6.909673333,6.884784,1.226041937,1.623435172,1.209538393,0.949627254,0.918691582,0.899376078,0.868471273,0.811076635,0.723334324,165.54322,145.1096198,156.1746141,165.7594887,166.8260839,167.4024839,168.3247239,170.0374553,171.6696919,1.84375,2.173913043,1.696428571,1.490909091,1.494791667,1.525641026,1.583333333,1.666666667,1.666666667,0.053503502,-0.007612405,-0.024941843,0.001659595,0.00114453,1.87E-04,0.001770811,-0.001763451,-0.004526568,645.6853813,-53.80711511,-282.4873543,-26.90355756,-2.74E-13,-2.74E-13,-2.45E-13,-1.88E-13,-40.35533633,1200.679538,-100.0566282,-525.297298,-50.0283141,1.42E-13,1.42E-13,1.42E-13,8.53E-14,-75.04247115,0.126485333,-0.010540444,-0.055337333,-0.005270222,-7.38E-16,-7.38E-16,-7.24E-16,-7.17E-16,-0.007905333,5.367596186,-0.447299682,-2.348323331,-0.223649841,-3.14E-15,-2.69E-15,-2.91E-15,-2.91E-15,-0.335474762,29.15686767,-2.429738973,-12.75612961,-1.214869486,2.73E-14,2.73E-14,2.73E-14,2.73E-14,-1.822304229,5.489583333,-0.542100694,-1.346354167,-0.101128472,-0.052083333,-0.149739583,0.002604167,0.290364583,-1.286458333,0.002229313,-3.31E-04,-5.94E-04,3.02E-05,2.38E-05,4.79E-06,5.90E-05,-8.40E-05,-3.77E-04,26.90355756,-2.339439787,-6.725889389,-0.489155592,-5.70E-15,-7.01E-15,-8.17E-15,-8.97E-15,-3.362944694,50.0283141,-4.350288182,-12.50707852,-0.909605711,2.96E-15,3.64E-15,4.74E-15,4.06E-15,-6.253539262,0.005270222,-4.58E-04,-0.001317556,-9.58E-05,-1.54E-17,-1.89E-17,-2.41E-17,-3.42E-17,-6.59E-04,0.223649841,-0.019447812,-0.05591246,-0.004066361,-6.53E-17,-6.90E-17,-9.71E-17,-1.39E-16,-0.02795623,1.214869486,-0.105640825,-0.303717372,-0.022088536,5.69E-16,7.00E-16,9.10E-16,1.30E-15,-0.151858686,0.228732639,-0.023569595,-0.032056052,-0.001838699,-0.001085069,-0.003839476,8.68E-05,0.013826885,-0.107204861,-0.148464651,-0.266384094,0.013535318,0.010695838,0.002147222,0.026477682,-0.037668053,-0.169206412,-0.086956522,-0.25,-0.018181818,-2.12E-16,-2.61E-16,-3.04E-16,-3.33E-16,-0.125,-0.086956522,-0.25,-0.018181818,5.92E-17,7.28E-17,9.47E-17,8.12E-17,-0.125,-0.086956522,-0.25,-0.018181818,-2.92E-15,-3.59E-15,-4.58E-15,-6.48E-15,-0.125,-0.086956522,-0.25,-0.018181818,-2.92E-16,-3.09E-16,-4.34E-16,-6.21E-16,-0.125,-0.086956522,-0.25,-0.018181818,4.68E-16,5.76E-16,7.49E-16,1.07E-15,-0.125,-0.103044303,-0.140146381,-0.008038641,-0.004743833,-0.016785871,3.80E-04,0.060449986,-0.468690702,1.46255088,1.247155141,0.792871074,0.823120668,0.882929417,0.948883431,1.201363069,1.463148389,1.5,1.386160714,0.940909091,0.8984375,0.884615385,0.8625,0.821428571,0.8984375,1.5,1.386160714,0.940909091,0.8984375,0.884615385,0.8625,0.821428571,0.8984375,1.5,1.386160714,0.940909091,0.8984375,0.884615385,0.8625,0.821428571,0.8984375,1.5,1.386160714,0.940909091,0.8984375,0.884615385,0.8625,0.821428571,0.8984375,1.5,1.386160714,0.940909091,0.8984375,0.884615385,0.8625,0.821428571,0.8984375,1.457305503,0.885334779,0.733206831,0.796489564,0.926580061,1.099810247,1.346706425,2.44402277,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,55.64149358,27.59158012,45.54212847,55.35072685,6.918840856,27.59158012,-0.458333333,0.096068521,0.012008565,-1.874154867,32.16958652,4.021198315,2.77681719,0,11.79,12.21005852,-0.306948036,0.113285108,5.104114357,7.254850364,7,23,22,22,6,1,1,0,0,1,17.491312,3.499160109,3.261892624,2.866142824,2.367020356,1.854778102,1.428728893,1.154729458,0.911583284,1.90685943,1.724640433,1.462982189,1.163203169,0.876196978,0.658149334,0.530820245,0.349799307,3.526506373,3.292994309,2.907712769,2.425088861,1.934077794,1.531020425,1.275852041,1.039703963,1.847031613,1.657108886,1.379536666,1.05738938,0.748287346,0.512853664,0.374912327,0.188525437,3.647095365,3.43022517,3.089398352,2.675189698,2.267171913,1.946675374,1.753140211,1.541491986,1.67121938,1.457667125,1.12525037,0.723635115,0.329982017,0.022663773,0.161798045,0.36957908,3.546673641,3.315940082,2.938314837,2.467677392,1.991806547,1.604668603,1.362086193,1.130728725,1.808942169,1.614010834,1.32557352,0.988009577,0.663274327,0.415218402,0.269432974,0.079216254,3.705967436,3.497172465,3.176520053,2.792327443,2.4180915,2.128111279,1.955308783,1.75262374,1.616497054,1.395406539,1.043649345,0.612900335,0.185586541,0.153105649,0.359488595,0.576481456,3.62577018,3.361446783,3.001536348,2.52184971,2.041216797,1.662932024,1.430961668,1.275475833,1.85785137,1.572028124,1.210277112,0.869281739,0.571048337,0.327680367,0.17591631,0.076687118,0,0,1,1,0,1,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.819990956,3.523603362,2.138010441,1.261801681,0.71545183,0.380900841,0.174230856,0.072168784,0.72749887,0.503371909,0.356335073,0.252360336,0.178862957,0.126966947,0.087115428,0.072168784,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,6,1,0,2,0,0,0,0,0,0,0,0,1,1,5,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.654015023,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380644487,0.322050737,0,0,1.397304776,0.290277778,0,0.702695224,0,0,0,0,0,0,0,0,2.230069444,3.658320578,6.615915533,0,1.995694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.995694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380644487,0.322050737,0,0,0.209008291,0.290277778,0,0.322050737,0,0,0,0,0,0,0,0,2.230069444,3.658320578,1.194444444,0,1.995694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.658320578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380644487,0.322050737,0,0,0.290277778,0.290277778,0,0.380644487,0,0,0,0,0,0,0,0,2.230069444,3.658320578,1.382777778,0,1.995694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.5,1.8125,0.380644487,3.658320578,0.209008291,1.194444444,5.874401675,0.305555556,0.658320578,1.776780045,0.305555556,0.658320578,1.776780045,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.25,0,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,6.67662,0.83458,7.95768,1.28106,0.16013,3.34933,0.41867,3.91421,0.56488,0.07061,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,0.75,0.918295834,2.049104007,3.136842188,3.522055209,3.351227481,3.234697003,22.03910002,49.17849618,75.28421252,84.52932501,80.42945954,77.63272806,0.200284263,0.446918379,0.684158745,0.768175358,0.730917097,0.7055013,3.666666667,2.535858493,1.448120313,1.062907292,1.23373502,1.350265498,0.200284263,0.446918379,0.684158745,0.768175358,0.730917097,0.7055013,6.73287657,15.20065,19.04494351,18.17141227,16.51296263,17.88180548,31.59900002,22.2783271,17.20000052,17.91052656,20.46064886,18.69150037,8,7,7.2,8,2,8,2.34,1.1928,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,3.659,6,5,4,3,2,1,0,0,0,36,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,3.784189634,1.194444444,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.714285714,6,0.857142857,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,144.287877,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,112.1252005,4.671883355,14.83110795,1.853888494,0,0,0,84,5,4.526,26,1.227,2.135021502,2.87271673,3.609229398,4.944776656,5.968097746,7.284032002,8.421556588,9.604031182,0,74.89491166,68.33896335,65.97266073,82.12742441,97.47332984,106.1109762,99.29809039,50.71865096,9.758310339,0,281.0620545,321.5844338,326.6934522,419.4600868,520.3934691,599.0538661,635.0148623,579.7744956,298.5292508,0,8.925452504,15.18954941,20.06936237,25.28027084,34.46625388,41.54899984,50.45278224,58.0973361,64.52433775,0,2.127440242,2.708766954,2.900800532,3.733551311,4.749323681,5.56689376,6.177667548,6.287232216,4.270076202,0,175.9203541,330.0647106,472.4996586,588.2662477,818.7466217,991.5524744,1229.29127,1436.427438,1775.954896,0,2.737826087,3.720872609,4.419903102,5.80043007,7.863384284,9.954476016,12.63467659,14.48293826,9.604031182,0,0.440993152,0.572718043,0.620474507,0.798342017,1.02041993,1.1994567,1.341310964,1.385444896,0.983452793,0,415.7175311,210.2061087,13.19232656,173.7223507,-87.84209613,-12.06912162,241.9951804,298.0482048,25.26144818,0.70527554,0.356620099,0.022381123,0.29472446,-0.149026387,-0.020475577,245.0404923,123.9038639,7.776083408,102.3988818,-51.77763476,-7.114021619,0.111994905,0.202968794,2.311560402,5.272436358,589.4398817,0,1,0,455.2209468,21.33590745,7.692616449,610.8504609,24.71538915,8.484865622,686.8263951,26.20737291,8.8229874,2.777473789,2.777473789,964.4923415,940.4156404,44.09371502,1.025602191,21.873692,21.32765724,4.377916779,5.645455692,10.18967585,0.804934163,4.707395531,5.811914061,3.423507979,22.8915296,10.38655183,1.027386561,5.621029591,8.400079893,12.598261,0.615455517,2.064246697,6.957449928,4.169728739,4.577268803,1.829291087,3.154821331,1.076405436,2.577035344,0.054773684,1.31E-04,6.08E-29,5.43E-75,9.35E-143,3.11E-232,0,0,0,0,0,0,0.395069795,5.811642349,0.228498339,5.947207138,0.07636546,0.084819839,0.658700664,0.238179693,3.885512489,0.022869791,0.063202073,0.436718209,0.140021805,1.546726892,0.085352095,0.144811926,0.065410342,0.081404848,3.86E-04,9.26E-07,4.28E-31,3.82E-77,6.59E-145,2.19E-234,0,0,0,0,0,0,1.275307413,5.811661064,0.776374028,7.20250477,0.770566712,0.267534425,1.662630853,1.076448253,5.097705605,0.092791178,0.248709931,1.489672522,0.59032617,2.078805078,0.320444561,0.492697652,0.227498612,0.351653056,0.004020079,9.65E-06,4.46E-30,3.99E-76,6.86E-144,2.28E-233,0,0,0,0,0,0,4.443398039,5.811884427,3.191016053,21.07472045,9.256442423,0.966257644,5.314060089,7.607583937,11.86454712,0.561122292,1.862872558,6.459884848,3.791345114,4.36113328,1.67976411,2.876264282,0.99884917,2.339646622,0.048802366,1.17E-04,5.42E-29,4.84E-75,8.33E-143,2.77E-232,0,0,0,0,0,0,1.879562943,5.811684821,1.183440529,8.718462259,1.665869565,0.395837455,2.354465863,1.897669234,6.097973861,0.155944255,0.442253139,2.295056214,1.009973166,2.46974966,0.517720733,0.810646007,0.351914,0.608182478,0.008732148,2.10E-05,9.70E-30,8.66E-76,1.49E-143,4.95E-233,0,0,0,0,0,0,5.684859415,5.812038544,4.326213258,30.50340832,15.13733263,1.257609005,6.761209324,11.6668225,15.54232799,0.837127715,2.899397296,8.911401842,5.720234662,5.412274358,2.43147781,4.293247865,1.381346531,3.552044972,0.079882269,1.92E-04,8.87E-29,7.92E-75,1.36E-142,4.53E-232,0,0,0,0,0,0,2.660894079,4.505194832,1.762255734,10.3748601,3.1764498,0.462278281,3.672143472,2.911382206,7.356804651,0.224038733,0.708453377,3.493936244,1.491211858,3.931910824,0.843766728,1.644887007,0.55655195,1.051441862,0.016673084,4.00E-05,1.85E-29,1.65E-75,2.85E-143,9.45E-233,0,0,0,0,0,0,9.080188488,0.804072952,0.413783256,0.881739083,0.078080158,0.520606947,0.59589624,0.499989195,10.2980447,11.39107585,24.71020753,0.822608625,1.616492381,8.355894871,0.303918573,0.089205145,0.955066535,0.034737447,0.441044366,0.085171143,0.023237778,8.749018589,3.312011558,12.28756765,0.932599803,0.549453287,8.643324566,0.502799878,0.218117035,0.923013848,0.053693604,0.471807125,0.233279132,0.138929338,9.364241479,6.340788086,16.65293622,0.884520773,0.844015594,9.062233572,0.791713986,0.405747617,0.883284875,0.077167398,0.518552571,0.57777528,0.480758253,10.25969517,11.1729128,24.34372421,0.824927313,1.577086104,8.771545273,0.591347999,0.275578371,0.910055619,0.061352881,0.485873955,0.32265687,0.22177115,9.638471643,7.767246623,18.83515313,0.865083428,1.030301975,9.13640801,0.842758102,0.438940698,0.876973924,0.080893594,0.527066575,0.654396093,0.562634674,10.41810681,12.08004402,25.87789846,0.815460886,1.744097342,9.139061334,0.790939852,0.405754626,0.884218,0.076524626,0.527381383,0.576627893,0.480774863,10.33575581,11.25759173,24.52632369,0.826327,1.584784139 +UMLRON0067,L,1-Octene,CCCCCCC=C,8125,,"Sandia, UML",[1],C8H16,PubChem,,28.7,0,0.3502,0.12264004,35.1364,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1190.529654,1024.169165,840.535588,646.827051,450.070322,264.404617,81.787104,3885.475125,4800.404174,5835.09088,5502.536552,4641.558567,3728.011456,2721.213111,1798.067638,968.1733981,167.819552,166.665724,297.486168,362.651252,313.602448,270.87294,207.98804,145.502308,103.171968,29.42500648,37.33900896,50.13168111,50.22672885,42.7633572,35.07566706,26.0541382,17.70154074,10.682782,3973.037281,3337.521256,6591.128897,8593.814026,7452.899071,6528.696872,5049.741717,3538.991458,2582.994154,41,48.75,71.5,77.75,67,58,45,31.5,21,48.76541633,52.3287937,28.34594414,19.69556087,18.67856862,16.585309,15.00234407,12.59069605,5.4524736,161.8947969,208.713225,138.9307352,105.8180106,103.1457459,95.59003733,90.70710369,85.62226847,64.54489321,6.992481333,7.246335826,7.083004,6.974062538,6.968943289,6.94546,6.932934667,6.928681333,6.8781312,1.226041937,1.623435172,1.193611455,0.965898632,0.950296827,0.899376078,0.868471273,0.842930512,0.712185467,165.54322,145.1096198,156.9316404,165.2656544,165.6199794,167.4024839,168.3247239,168.5234028,172.1996103,1.708333333,2.119565217,1.702380952,1.495192308,1.488888889,1.487179487,1.5,1.5,1.4,0.048481871,-0.002709104,-0.024462217,-0.002909332,0.001969961,0.002709864,-0.001385018,-0.002710404,-3.63E-04,645.6853813,-53.80711511,-242.132018,-26.90355756,-40.35533633,-2.74E-13,-2.17E-13,-40.35533633,-40.35533633,1200.679538,-100.0566282,-450.2548269,-50.0283141,-75.04247115,1.42E-13,1.42E-13,-75.04247115,-75.04247115,0.126485333,-0.010540444,-0.047432,-0.005270222,-0.007905333,-7.38E-16,-7.24E-16,-0.007905333,-0.007905333,5.367596186,-0.447299682,-2.01284857,-0.223649841,-0.335474762,-2.69E-15,-2.69E-15,-0.335474762,-0.335474762,29.15686767,-2.429738973,-10.93382538,-1.214869486,-1.822304229,2.73E-14,2.73E-14,-1.822304229,-1.822304229,3.5,-0.3125,-1,-0.375,-0.1875,0.1875,0,-0.0625,-0.5625,0.002020078,-1.18E-04,-5.82E-04,-5.59E-05,4.38E-05,6.95E-05,-4.62E-05,-1.29E-04,-2.42E-05,26.90355756,-2.339439787,-5.765048048,-0.517376107,-0.896785252,-7.01E-15,-7.22E-15,-1.921682683,-2.690355756,50.0283141,-4.350288182,-10.72035302,-0.962082963,-1.66761047,3.64E-15,4.74E-15,-3.573451007,-5.00283141,0.005270222,-4.58E-04,-0.001129333,-1.01E-04,-1.76E-04,-1.89E-17,-2.41E-17,-3.76E-04,-5.27E-04,0.223649841,-0.019447812,-0.047924966,-0.004300958,-0.007454995,-6.90E-17,-8.97E-17,-0.015974989,-0.022364984,1.214869486,-0.105640825,-0.260329176,-0.023362875,-0.04049565,7.00E-16,9.10E-16,-0.086776392,-0.121486949,0.145833333,-0.013586957,-0.023809524,-0.007211538,-0.004166667,0.004807692,0,-0.00297619,-0.0375,-0.058308203,-0.28832241,-0.027696304,0.021670904,0.034396537,-0.022854204,-0.063892023,-0.011994419,-0.086956522,-0.214285714,-0.019230769,-0.033333333,-2.61E-16,-2.69E-16,-0.071428571,-0.1,-0.086956522,-0.214285714,-0.019230769,-0.033333333,7.28E-17,9.47E-17,-0.071428571,-0.1,-0.086956522,-0.214285714,-0.019230769,-0.033333333,-3.59E-15,-4.58E-15,-0.071428571,-0.1,-0.086956522,-0.214285714,-0.019230769,-0.033333333,-3.09E-16,-4.01E-16,-0.071428571,-0.1,-0.086956522,-0.214285714,-0.019230769,-0.033333333,5.76E-16,7.49E-16,-0.071428571,-0.1,-0.093167702,-0.163265306,-0.049450549,-0.028571429,0.032967033,0,-0.020408163,-0.257142857,1.384171883,1.386403607,0.982155294,0.872996103,0.858948664,1.004375454,1.026454596,0.690323846,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.153911565,0.900412088,0.876190476,0.884615385,1.013095238,1.056122449,1.314285714,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,47.14902419,23.49117876,38.74380497,47.02402419,5.878003023,23.49117876,-0.166666667,0.171637148,0.021454644,-1.409898108,43.9995647,5.499945587,3.027343793,0,11.89,12.11011416,-0.181126041,0.043400338,5.117889282,7.339208173,7,23,22,22,6,1,1,0,0,1,17.491312,3.516410379,3.260192645,2.823237318,2.344112785,1.920737629,1.494056811,1.172188343,0.765552708,1.901938035,1.72467367,1.474847659,1.164158257,0.882472781,0.674819937,0.537244778,0.264948938,3.54138316,3.291623903,2.869140784,2.405337091,1.995042692,1.591223913,1.292051298,0.900237444,1.843800879,1.65715269,1.384863832,1.057160999,0.760994059,0.53404755,0.382288668,0.098420393,3.65314551,3.429835184,3.069028381,2.666187107,2.307265261,1.988228,1.764958626,1.426151911,1.675814026,1.457393086,1.108296945,0.716211496,0.366260137,0.061177417,0.150663185,0.481037356,3.559889259,3.314785609,2.90289955,2.450078683,2.049119366,1.661310387,1.377423667,0.995868659,1.807023717,1.614042512,1.326467596,0.986753469,0.680473159,0.439587027,0.277483129,0.014673394,3.708637808,3.49702726,3.164338757,2.786888017,2.449121696,2.162581267,1.965546246,1.646282426,1.624538704,1.394834473,1.018829109,0.601637524,0.230713349,0.107394532,0.346721507,0.697172227,3.600434656,3.346254527,2.951277354,2.538830202,2.133102629,1.731107366,1.460951897,1.156437592,1.8127061,1.529787877,1.240841402,0.887362892,0.564358143,0.329985093,0.163977797,0.182051654,0,0,0,2,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.983127663,3.526038674,2.06481751,1.210046463,0.678855364,0.345522031,0.166666667,0.083333333,0.747890958,0.503719811,0.344136252,0.242009293,0.169713841,0.11517401,0.083333333,0.083333333,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,2,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.3525,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.621425737,0,0,1.188296485,0.580555556,0,0.621425737,0,0,0,0,0,0,0,0,4.307148526,0,5.340351474,0,4.3525,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.120694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.299375,0,0,0.212046485,0.290277778,0,0.299375,0,0,0,0,0,0,0,0,2.075342971,0,1.268194444,0,2.120694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.231805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.322050737,0,0,0.290277778,0.290277778,0,0.322050737,0,0,0,0,0,0,0,0,2.231805556,0,1.379305556,0,2.231805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,1.75,0.322050737,2.231805556,0.212046485,1.268194444,5.653437574,0.231805556,0.231805556,1.319297052,0.231805556,0.231805556,1.319297052,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.25,0,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,6.82804,0.85351,7.95768,1.12964,0.1412,3.31066,0.41383,3.91421,0.60355,0.07544,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,0.75,0.918295834,1.999218484,3.375814584,3.772055209,3.569773835,3.720175521,22.03910002,47.98124361,81.01955001,90.52932501,85.67457204,89.28421252,0.200284263,0.436038132,0.73627965,0.822701431,0.778582995,0.811386248,3.666666667,2.585744017,1.209147917,0.812907292,1.015188666,0.864786979,0.200284263,0.436038132,0.73627965,0.822701431,0.778582995,0.811386248,6.73287657,15.72064472,20.20180045,19.68512709,19.48126286,20.54885602,31.59900002,20.72164002,15.6149125,15.48446146,16.11929522,14.59924844,8,7,7.2,8,2,8,2.34,1.1928,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.706,6,5,4,3,2,1,0,0,0,36,2.197224577,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.098612289,0,0,0,3.891820298,1.333333333,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,144.287877,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,112.1252005,4.671883355,14.83110795,1.853888494,0,0,0,84,5,4.481,26,1.214698506,2.111946797,2.890912379,3.665430407,4.990116326,6.006179746,7.370928799,8.438677063,9.588971408,0,74.59287549,68.07169963,69.58781631,88.00654661,98.17817293,106.8735231,104.411641,49.34957978,9.743008645,0,279.2929078,317.2674582,338.4573711,444.2963429,524.2354166,603.5613706,672.078499,569.8493862,298.0611366,0,8.837405096,15.0146574,20.22072175,25.7362363,34.77860213,41.81745126,51.19515851,58.16246021,64.4231592,0,2.111801123,2.667690823,2.9800592,3.919148041,4.786008611,5.607939824,6.486999353,6.211222425,4.263380432,0,174.0672186,327.3989664,473.7157511,592.6381214,826.5416995,997.6138005,1232.76776,1443.567958,1773.170078,0,2.665748365,3.716819411,4.465163269,5.853421615,7.715188207,9.449594837,11.3962557,12.1151044,9.588971408,0,0.437667185,0.56395952,0.636465015,0.83646492,1.028380649,1.208247964,1.40577794,1.369996933,0.981910672,0,401.8912509,194.7745357,11.54683235,136.7072879,-66.25448667,-8.579509836,265.183963,261.0290224,20.12634218,0.746179616,0.361632128,0.021438663,0.253820384,-0.123012749,-0.015929323,216.4580405,104.9052803,6.21910703,73.6303455,-35.68456971,-4.620911461,0.117378848,0.187832664,1.921528797,1.659890598,538.5985388,0,1,0,457.3151037,21.38492702,7.704394544,617.5271972,24.85009451,8.515667515,685.5015026,26.18208362,8.817310548,2.802101292,2.802101292,996.2368083,972.154791,43.03733749,1.024771793,23.14819797,22.58863693,4.408175219,5.629489865,10.2542379,0.821521691,6.526337356,5.866687868,3.031038833,25.36782331,11.08354419,2.478218698,4.344351894,7.260096537,13.36381143,1.403748849,1.689213514,6.228866334,3.696919054,4.534592382,1.354924481,0.494275581,3.736399363,4.127931346,0.003125076,0.004761328,1.40E-24,7.96E-68,8.72E-133,1.84E-219,0,0,0,0,0,0,0.547718297,5.860307432,0.250127953,6.150244679,0.085937859,0.081355544,0.92443444,0.210871668,4.284034507,0.038644582,0.067473604,0.577945636,0.135767015,2.134883373,0.049107878,0.024215115,0.181195375,0.10524665,2.21E-05,3.35E-05,9.87E-27,5.61E-70,6.14E-135,1.30E-221,0,0,0,0,0,0,1.768081906,5.860733937,0.81024142,7.520865856,0.833703249,0.344683636,1.622234109,0.943248375,5.428115738,0.176911738,0.264627332,1.723497056,0.553248766,2.603967108,0.201094015,0.089236363,0.650097592,0.498670724,2.30E-04,3.49E-04,1.03E-25,5.84E-69,6.40E-134,1.35E-220,0,0,0,0,0,0,6.160330581,5.865987406,2.858129692,23.28848978,9.880661114,2.251560459,4.134888511,6.578604538,12.55702898,1.270516446,1.54257017,5.880118488,3.369443457,4.380343949,1.234456191,0.454557474,3.427908276,3.730362339,0.002784435,0.004242257,1.25E-24,7.09E-68,7.77E-133,1.64E-219,0,0,0,0,0,0,2.605823266,5.861286785,1.196977488,9.219524554,1.791534945,0.592531265,2.101334366,1.655782549,6.424095948,0.313509453,0.439718323,2.512234389,0.931711677,2.932138907,0.339442634,0.143054608,1.048230742,0.895734517,4.98E-04,7.59E-04,2.23E-25,1.27E-68,1.39E-133,2.93E-220,0,0,0,0,0,0,7.881495701,5.869633185,3.674268064,34.09177459,16.13861969,3.408179832,5.120012342,10.06714674,16.63587019,1.953435595,2.285943336,7.523304696,5.033702424,5.114038883,1.846979853,0.653756929,4.981749601,5.771743772,0.004557399,0.006943949,2.04E-24,1.16E-67,1.27E-132,2.68E-219,0,0,0,0,0,0,3.751314004,5.402970234,1.761989127,12.15972248,3.650327787,0.943713353,2.820576394,2.710009961,8.013164847,0.519440506,0.667723396,3.939880652,1.459607761,3.839236595,0.526447521,0.248840604,1.833920286,1.671425024,0.001020733,0.001554719,4.58E-25,2.60E-68,2.85E-133,6.01E-220,0,0,0,0,0,0,9.989662968,0.791997201,0.391836371,0.894049856,0.070881769,0.546168486,0.564944328,0.499981925,11.17349654,12.1364317,26.4100534,0.841074783,1.611094739,8.612190486,0.29935366,0.084473743,0.957333633,0.033276241,0.40648465,0.081337868,0.02323744,8.996017889,3.330882229,12.54468109,0.936000449,0.511059959,9.158885123,0.495408406,0.206548202,0.928813723,0.050239971,0.459427428,0.222343012,0.138927318,9.860841731,6.531465649,17.32949685,0.893220585,0.820697758,9.955523237,0.779838128,0.384226938,0.895314014,0.070131925,0.542454376,0.547892674,0.480751262,11.1195883,11.88851163,25.99112131,0.842971021,1.571098313,9.402743284,0.582624215,0.260961813,0.91766944,0.05686175,0.484101623,0.307091204,0.221767926,10.24632931,8.084065532,19.76001305,0.87650416,1.012960753,10.09655636,0.830052998,0.415659473,0.890170786,0.073182272,0.557880557,0.619951174,0.562626493,11.34226883,12.92242557,27.74820214,0.835256179,1.740458224,9.989533353,0.77989296,0.384580142,0.895600464,0.069920433,0.546158199,0.547858179,0.481635537,11.15400645,11.93247423,26.08265486,0.843400696,1.575651916 +UMLRON0068,L,2-octene,CCCCCC=CC,8126,,UML,[1],C8H16,PubChem,,56.3,0,1.147,1.315609,15.8797,9.280758,0,0,9,3,6,0,3,0,0,0,0,0,0,0,0,0,438.888747,361.17077,233.077993,65.61576,6.096384,0,0,0,0,1457.053172,1535.453502,1351.008194,729.101804,186.5024666,0,0,0,0,62.932332,57.786824,84.237796,69.18048,40.310784,0,0,0,0,11.03437743,12.25906586,12.36216179,7.790786074,2.667677429,0,0,0,0,1489.88898,1172.323998,1938.322798,1690.200999,1109.505912,0,0,0,0,23,24,25,18,6,0,0,0,0,48.76541633,45.14634625,19.42316608,6.561576,1.016064,0,0,0,0,161.8947969,191.9316877,112.5840162,72.9101804,31.08374443,0,0,0,0,6.992481333,7.223353,7.019816333,6.918048,6.718464,0,0,0,0,1.226041937,1.532383233,1.030180149,0.779078607,0.444612905,0,0,0,0,165.54322,146.5404998,161.5268998,169.0200999,184.917652,0,0,0,0,2.555555556,3,2.083333333,1.8,1,0,0,0,0,0.03272013,-0.005957556,-0.016261901,-0.002805215,0.008664608,0,0,0,0,242.132018,-53.80711511,-80.71067267,-67.25889389,80.71067267,0,0,0,0,450.2548269,-100.0566282,-150.0849423,-125.0707852,150.0849423,0,0,0,0,0.047432,-0.010540444,-0.015810667,-0.013175556,0.015810667,0,0,0,0,2.01284857,-0.447299682,-0.670949523,-0.559124603,0.670949523,0,0,0,0,10.93382538,-2.429738973,-3.644608459,-3.037173716,3.644608459,0,0,0,0,4.222222222,-1.197530864,-0.518518519,-1.580246914,1.185185185,0,0,0,0,0.00363557,-7.45E-04,-0.001355158,-2.81E-04,0.001444101,0,0,0,0,26.90355756,-6.725889389,-6.725889389,-6.725889389,13.45177878,0,0,0,0,50.0283141,-12.50707852,-12.50707852,-12.50707852,25.01415705,0,0,0,0,0.005270222,-0.001317556,-0.001317556,-0.001317556,0.002635111,0,0,0,0,0.223649841,-0.05591246,-0.05591246,-0.05591246,0.111824921,0,0,0,0,1.214869486,-0.303717372,-0.303717372,-0.303717372,0.607434743,0,0,0,0,0.469135802,-0.149691358,-0.043209877,-0.158024691,0.197530864,0,0,0,0,-0.204835708,-0.372749927,-0.077160265,0.397214573,0,0,0,0,-0.25,-0.25,-0.25,0.5,0,0,0,0,-0.25,-0.25,-0.25,0.5,0,0,0,0,-0.25,-0.25,-0.25,0.5,0,0,0,0,-0.25,-0.25,-0.25,0.5,0,0,0,0,-0.25,-0.25,-0.25,0.5,0,0,0,0,-0.319078947,-0.092105263,-0.336842105,0.421052632,0,0,0,0,1.378456319,1.291796158,0.897481293,0.082663771,0,0,0,0,1.5,1.166666667,1,0,0,0,0,0,1.5,1.166666667,1,0,0,0,0,0,1.5,1.166666667,1,0,0,0,0,0,1.5,1.166666667,1,0,0,0,0,0,1.5,1.166666667,1,0,0,0,0,0,1.539473684,0.868421053,1.326315789,0,0,0,0,0,4.113090584,2.056545292,3.657501181,4.113090584,1.371030195,2.267443683,0,0.141134415,0.047044805,-0.587412764,4.66593107,1.555310357,0.46208622,4.113090584,2.056545292,3.657501181,4.113090584,1.371030195,2.267443683,0,0.141134415,0.047044805,-0.587412764,4.66593107,1.555310357,0.46208622,4.113090584,2.056545292,3.657501181,4.113090584,1.371030195,2.267443683,0,0.141134415,0.047044805,-0.587412764,4.66593107,1.555310357,0.46208622,4.113090584,2.056545292,3.657501181,4.113090584,1.371030195,2.267443683,0,0.141134415,0.047044805,-0.587412764,4.66593107,1.555310357,0.46208622,4.113090584,2.056545292,3.657501181,4.113090584,1.371030195,2.267443683,0,0.141134415,0.047044805,-0.587412764,4.66593107,1.555310357,0.46208622,4.113090584,2.056545292,3.657501181,4.113090584,1.371030195,2.267443683,0,0.141134415,0.047044805,-0.587412764,4.66593107,1.555310357,0.46208622,5.051988955,2.470438922,4.589982952,5.014951918,1.671650639,2.608431838,-0.111111111,0.160167306,0.053389102,-0.549460904,3.985454512,1.328484837,0.414795408,0,11.79,12.21000952,-0.308595293,0.111507076,4.466059776,5.222190813,2,8,7,7,1,1,1,0,0,1,6.559242,3.275337194,2.229890553,0.967861063,0.083923071,0.083923071,0.083923071,0.368102749,1.128107366,1.725109484,1.128107366,0.368102749,0.083923071,0.083923071,0.083923071,0.967861063,2.229890553,3.304830219,2.299451583,1.090122529,0.270913902,0.270913902,0.270913902,0.209041944,1.01437374,1.658246942,1.01437374,0.209041944,0.270913902,0.270913902,0.270913902,1.090122529,2.299451583,3.436393989,2.590767018,1.574881347,0.943918427,0.943918427,0.943918427,0.338442169,0.645766573,1.462962669,0.645766573,0.338442169,0.943918427,0.943918427,0.943918427,1.574881347,2.590767018,3.326668942,2.349990146,1.177410854,0.399277246,0.399277246,0.399277246,0.101417887,0.939067375,1.615752944,0.939067375,0.101417887,0.399277246,0.399277246,0.399277246,1.177410854,2.349990146,3.501349681,2.723040753,1.780955151,1.207644823,1.207644823,1.207644823,0.53979603,0.519404378,1.402802769,0.519404378,0.53979603,1.207644823,1.207644823,1.207644823,1.780955151,2.723040753,3.343842169,2.371760752,1.182872841,0.428571429,0.428571429,0.428571429,0.086046467,0.897158556,1.629556455,0.897158556,0.086046467,0.428571429,0.428571429,0.428571429,1.182872841,2.371760752,0,0,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.707106781,1.414213562,0.707106781,0,0,0,0,0,0.902368927,0.707106781,0.707106781,0,0,0,0,0,2.28445705,0.98559856,0.40824829,0,0,0,0,0,0.761485683,0.49279928,0.40824829,0,0,0,0,0,4.625483411,8.663510561,8.176470588,8.28,5.395663473,69.08476527,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.11849,15.601,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,6,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,1,0,2,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.3875,0,0,0,0.290277778,0,0.809722222,0,0,0,0,0,0,0,0,1.888888889,3.361111111,0,0,1.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.3875,0,0,0,0.290277778,0,0.3875,0,0,0,0,0,0,0,0,1.888888889,3.361111111,0,0,1.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.3875,0,0,0,0.290277778,0,0.422222222,0,0,0,0,0,0,0,0,1.888888889,3.361111111,0,0,1.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,2.333333333,0.422222222,3.361111111,0.290277778,1.75,2.374833333,0.25,0.361111111,0.722222222,0.25,0.361111111,0.722222222,1.5,0.5,0,0,0.43333,0.7,0.40909,0.40909,0.7,0.02424,0.02424,0,0,0.71429,0,0,0.66667,0,0,2,0.66667,1,0.33333,1,0.33333,0,0,0,0,1.07735,0.35912,1.91421,0.83687,0.27896,0.78867,0.26289,1.41421,0.62554,0.20851,0,0,0,0,0,2,0,0,0,0,0,0,0.333333333,0.918295834,2.113283334,2.419381946,2.067168057,1.010526389,0,8.264662506,19.01955001,21.77443751,18.60451251,9.094737505,0,0.289690082,0.666666667,0.763230027,0.652118916,0.318785583,0,2.251629167,1.056641667,0.750543056,1.102756945,2.159398612,3.169925001,0.289690082,0.666666667,0.763230027,0.652118916,0.318785583,0,6.73287657,13.74460993,14.05310377,9.826537102,1.018433791,0,11.84962501,9.509775004,9.241437504,7.12815417,2.549373612,0,3,2,0,3,2,3,1.79,0.4883,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,1.164,1,0,0,0,0,0,0,0,0,6,1.386294361,1.098612289,0,0,0,0,0,0,0,0,2.197224577,1.333333333,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.5,0,1,2,1,0.5,0,0,0,0,0,0,0,0,0,0.25,0,0,0,0,0,0,0,0,0,0.25,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,0,57.80795388,2.584962501,1.945910149,2.197224577,2.564949357,2.833213344,3.218875825,3.496507561,3.891820298,4.17438727,4.574710979,33.89759936,1.609437912,0,2.197224577,0,2.833213344,0,3.496507561,0,4.17438727,4.852030264,42.04695019,4.671883355,4.914213562,1.638071187,0,0,0,4,0,1.786,6,1.1845,2.070132387,2.890330347,3.502395143,0,0,0,0,0,0,61.15747468,45.46168094,19.64918577,3.558657619,0,0,0,0,0,0,245.2909382,249.6055362,215.8939837,108.8675555,0,0,0,0,0,0,8.580641761,14.57564053,20.02006365,23.53071568,0,0,0,0,0,0,1.912487988,2.238256218,2.293052372,1.557210078,0,0,0,0,0,0,172.0468959,331.1486605,486.5628902,647.6546863,0,0,0,0,0,0,3.687,4.523347468,5.287544558,3.502395143,0,0,0,0,0,0,0.398525625,0.478506081,0.503311341,0.358645263,0,0,0,0,0,0,226.7952389,55.37710339,8.529758553,169.3509881,-41.35081153,-12.93039234,57.44425075,96.72791493,21.46015089,0.572503847,0.139789551,0.021531843,0.427496153,-0.104382697,-0.032640453,89.84407817,21.93743057,3.379031668,67.08775497,-16.38096797,-5.122326137,0.230795839,0.421391849,6.540371835,11.66194073,396.146227,0,1,0,144.813101,12.03383152,5.251329683,203.5722544,14.26787491,5.882647997,168.364956,12.97555224,5.521841042,1.282327471,1.042240934,60.71531802,52.48819034,11.59797617,1.156742452,5.234992477,4.525633572,2.231223091,2.129213644,4.102201959,0.926627687,1.918389996,1.069327523,2.05453721,2.946742023,0.754916282,2.521614999,0.70372229,2.68E-07,1.97E-35,2.80E-85,7.65E-157,4.04E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.161007887,1.069266338,0.127696141,1.006520372,0.011705592,0.090887906,0.004956374,1.89E-09,1.39E-37,1.97E-87,5.39E-159,2.84E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.519727041,1.06927059,0.441690559,1.241204276,0.071820273,0.372952161,0.051649235,1.97E-08,1.45E-36,2.05E-86,5.62E-158,2.96E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.810804323,1.069320863,1.908518388,2.770880389,0.677015784,2.297066506,0.627003891,2.39E-07,1.76E-35,2.49E-85,6.82E-157,3.60E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765976495,1.069275955,0.680788125,1.450217563,0.140282223,0.630150844,0.112189039,4.28E-08,3.15E-36,4.46E-86,1.22E-157,6.44E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.31673132,1.069355488,2.627038063,3.662691566,1.08013643,3.439015353,1.026312823,3.91E-07,2.88E-35,4.08E-85,1.12E-156,5.89E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.837173482,0.811369703,0.715739049,1.694255431,0.169174003,0.637875127,0.129255114,4.93E-08,3.62E-36,5.14E-86,1.41E-157,7.42E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.872864109,0.70390703,0.18581535,0.677938633,0.254799997,0.5910637,0.366710534,0.222222222,2.762586489,1.797125843,4.804676835,0.51690795,1.179996456,1.220759665,0.238536411,0.040058859,0.814189913,0.159092691,0.251123301,0.042076817,0.010328125,1.499354935,0.349653365,1.860673265,0.72128487,0.303528243,1.479741088,0.42337981,0.097948606,0.739475108,0.211576764,0.368967671,0.132603531,0.061747707,2.001069505,0.812900541,2.875334113,0.609212662,0.563318909,1.856718624,0.692386981,0.18220683,0.679789906,0.253499736,0.580916093,0.354799784,0.213674952,2.731312435,1.750032254,4.715583923,0.519684859,1.149390829,1.595185825,0.505766065,0.123752449,0.71703273,0.2273408,0.428784275,0.189259415,0.098567086,2.224704339,1.0667888,3.391335484,0.575549095,0.716610776,1.923411643,0.739972896,0.197112663,0.672404658,0.25868681,0.623401794,0.405271975,0.250065259,2.860497202,1.948259303,5.089301534,0.508606987,1.278739028,1.856809275,0.688648035,0.181169966,0.680991235,0.252564053,0.580967722,0.350920065,0.21125,2.726627276,1.739848473,4.698135622,0.521486852,1.143137787 +UMLRON0069,L,Propene,CC=C,8252,"""propylene""","Sandia, UML","[1], [9]",C3H6,PubChem,,101.8,0,0.8413,0.70778569,26.4798,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,894.311257,1293.838867,825.647975,187.78536,14.224896,0,0,0,2644.81273,3111.440287,4081.945104,3966.02192,2109.972419,435.172422,0,0,0,118.238936,113.725804,185.586916,240.085028,245.042496,94.058496,0,0,0,19.03383305,23.05160678,30.53489774,32.7070836,23.10000729,6.224580668,0,0,0,2668.599586,2223.807959,3945.978999,4982.385688,6122.904923,2588.847128,0,0,0,68.5625,47,75.75,110.5,63,14,0,0,0,61.71557788,59.62075047,51.75355468,26.63380565,5.365296,1.016064,0,0,0,165.3007956,207.4293525,163.2778042,127.936191,60.28492625,31.08374443,0,0,0,7.3899335,7.581720267,7.42347664,7.744678323,7.001214171,6.718464,0,0,0,1.189614566,1.536773785,1.22139591,1.055067213,0.660000208,0.444612905,0,0,0,166.7874742,148.2538639,157.8391599,160.722119,174.9401407,184.917652,0,0,0,4.28515625,3.133333333,3.03,3.564516129,1.8,1,0,0,0,0.228550231,-0.134451686,0.073595135,-0.068930896,-0.023787475,0.039299806,0,0,0,523.7576238,-61.37440864,201.7963501,-679.6049109,9.289468047,268.0146895,0,0,0,766.4429154,-64.08388028,122.9703434,-833.4956669,4.076510572,387.3112355,0,0,0,1.03666,-0.10552625,0.16054125,-0.77858625,0.02169775,0.1835435,0,0,0,3.391946473,-0.184652645,-0.212307257,-2.738137585,-0.012024649,1.451148898,0,0,0,18.82152525,-0.868064488,-2.446740944,-13.43592376,-0.109278225,7.449244794,0,0,0,25.49609375,-7.781494141,8.099853516,-15.23852539,-3.573486328,5.745605469,0,0,0,0.014284389,-0.008963446,0.002943805,-0.002223577,-6.80E-04,0.002807129,0,0,0,32.73485148,-4.091627243,8.071854006,-21.92273906,0.265413373,19.14390639,0,0,0,47.90268221,-4.272258686,4.918813737,-26.886957,0.116471731,27.66508825,0,0,0,0.06479125,-0.007035083,0.00642165,-0.025115685,6.20E-04,0.01311025,0,0,0,0.211996655,-0.012310176,-0.00849229,-0.088327019,-3.44E-04,0.103653493,0,0,0,1.176345328,-0.057870966,-0.097869638,-0.433416896,-0.003122235,0.532088914,0,0,0,1.593505859,-0.518766276,0.323994141,-0.491565335,-0.102099609,0.410400391,0,0,0,-0.627499392,0.206085489,-0.155664846,-0.047579363,0.196517256,0,0,0,-0.124992999,0.246582882,-0.669706385,0.008107975,0.584817267,0,0,0,-0.08918621,0.102683472,-0.561282913,0.002431424,0.577526914,0,0,0,-0.108580763,0.09911292,-0.387640082,0.009568201,0.202345996,0,0,0,-0.058067786,-0.040058605,-0.416643456,-0.001620598,0.488939285,0,0,0,-0.049195559,-0.08319805,-0.36844359,-0.002654182,0.452323736,0,0,0,-0.325550278,0.203321587,-0.308480406,-0.064072315,0.25754558,0,0,0,1.527355518,0.621723293,1.676918895,0.789746682,0.137211806,0,0,0,1.269889206,0.790120354,1.796541198,0.728739312,0,0,0,0,1.398696897,1.009761139,1.545472194,0.739025144,0,0,0,0,1.044581637,0.791272355,2.140086992,0.520193423,0,0,0,0,1.448950267,1.179052138,1.426775117,0.701697541,0,0,0,0,1.454759456,1.22433746,1.406672924,0.684666029,0,0,0,0,1.279607783,0.677309637,1.927477426,0.689181203,0,0,0,0,16.48744705,8.368723525,11.94143081,16.65411372,2.775685619,8.36932503,0.25,0.011249637,0.00187494,-2.692451632,19.0545036,3.1757506,1.76838209,16.49039955,8.369832564,11.94267409,16.6565766,2.7760961,8.370433279,0.249265579,0.011295676,0.001882613,-2.690001149,19.0555351,3.175922517,1.76841457,19.16926703,9.385136276,13.27114636,18.90327071,3.150545118,9.385334316,-0.398994478,0.099057449,0.016509575,-1.387233184,31.21483321,5.202472202,2.064536043,16.49349846,8.370996632,11.94397928,16.65916166,2.776526944,8.37159652,0.2484948,0.011344063,0.001890677,-2.687436465,19.05662359,3.176103932,1.768448842,22.09626239,10.50698406,15.69528377,21.37473288,3.56245548,10.50704735,-1.082294264,0.241165662,0.040194277,-0.853362711,30.88954807,5.148258012,2.058250726,16.79769261,8.485413396,12.07343803,16.9131154,2.818852566,8.485938179,0.173134186,0.01643844,0.00273974,-2.464879683,19.19620168,3.199366946,1.772827458,23.97815966,12.11907983,17.59848292,24.151493,4.025248833,12.11909352,0.26,0.057637868,0.009606311,-1.712145299,20.20863655,3.368106092,1.803666039,0,11.79,15.9949159,-0.385772874,0.130568913,4.980493651,7.652503064,5,15,14,14,4,1,1,0,0,1,10.93207,3.536921914,2.789647354,2.333552793,2.039648352,1.188740532,0.359704607,0.083923071,0.083923071,1.825164935,1.384524971,1.249629723,0.622994839,0.414256759,0.083923071,0.083923071,0.083923071,3.518157184,2.815027245,2.405454588,1.803300497,1.247492965,0.477243308,0.270913902,0.270913902,1.797222202,1.300353992,1.134540686,0.682707503,0.28248279,0.270913902,0.270913902,0.270913902,3.642168697,3.006522389,2.704236987,2.327479058,1.702968566,0.959239252,0.943918427,0.943918427,1.626198717,1.034752733,0.76031856,0.121389989,0.250299968,0.943918427,0.943918427,0.943918427,3.523263532,2.842538676,2.457539916,1.764340406,1.299269248,0.565144359,0.399277246,0.399277246,1.780475646,1.247015508,1.058262671,0.703298267,0.186418297,0.399277246,0.399277246,0.399277246,3.679115192,3.092247079,2.838982085,2.389665764,1.884200731,1.207644823,1.207644823,1.207644823,1.588663265,0.952606138,0.631337262,0.039321042,0.424372953,1.150954091,1.207644823,1.207644823,3.859871736,3.251678712,2.771189336,2.480846648,1.476568105,0.521933734,0.487804878,0.487804878,1.757466844,1.096165629,1.017432014,0.190788576,0.065618452,0.487804878,0.487804878,0.487804878,0,0,1,1,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,0.770480822,0.129099445,0,0,1.060660172,0.353553391,0,0.386698331,0.091287093,0,5.207106781,2.560660172,2.914213562,1.060660172,0,0,0,0,0.86785113,0.512132034,0.416316223,0.353553391,0,0,0,0,4.231670646,1.920530223,1.857787455,0.499535383,0,0,0,0,0.705278441,0.384106045,0.265398208,0.166511794,0,0,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,0.86949,26.2248,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,24,1,0,1,2,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0,2,0,0,2,0,0,0,0,0,0,0,0,2,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.597569444,0,8.708333333,4.875,0,0,0,0,0,0,0,0,0,0.597569444,0,0,0,0,0,0,0,0,0,0.437847222,0.415277778,0,0,0.709027778,0,0,0.853125,0,0,0,0,0,0,0,0,3.361111111,3.381944444,0,0,1.493055556,0,0,0,0,0,0,0,-0.694444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.708333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.597569444,0,8.708333333,1.493055556,0,0,0,0,0,0,0,0,0,0.597569444,0,0,0,0,0,0,0,0,0,0.437847222,0.415277778,0,0,0.354513889,0,0,0.415277778,0,0,0,0,0,0,0,0,1.680555556,3.381944444,0,0,1.493055556,0,0,0,0,0,0,0,-0.694444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.708333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.597569444,0,8.708333333,3.381944444,0,0,0,0,0,0,0,0,0,0.597569444,0,0,0,0,0,0,0,0,0,0.437847222,0.415277778,0,0,0.354513889,0,0,0.437847222,0,0,0,0,0,0,0,0,1.680555556,3.381944444,0,0,1.493055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.708333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.25,2.708333333,0.597569444,8.708333333,0.340277778,-0.694444444,2.775375,1.944444444,2.708333333,6.180555556,1.944444444,2.708333333,6.180555556,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.42,0.47593,0.75238,0.07792,0.02199,-0.05593,0.0754,0.57047,0.14382,0,0.64706,0,0.17647,3.75,0.625,2.75,0.45833,1,0.16667,-1.75,-0.29167,0,0,4.26405,0.71068,6.37132,2.10727,0.35121,1.78145,0.29691,2.56066,0.77921,0.12987,0.35334,0.05889,0.35334,0.05889,0,5.01,1,1,1,1,1,1,0.6,1.198192411,2.608458593,2.780639062,2.780639062,2.280639062,1.155639062,19.17107858,41.73533749,44.490225,44.490225,36.490225,18.490225,0.299548103,0.652114648,0.695159766,0.695159766,0.570159766,0.288909766,2.801807589,1.391541407,1.219360938,1.219360938,1.719360938,2.844360938,0.299548103,0.652114648,0.695159766,0.695159766,0.570159766,0.288909766,10.71860945,18.7418391,18.91536689,18.91536689,12.91536689,1.164681975,21.96987352,15.79229297,15.43383437,15.43383437,12.43383437,4.183834373,6,1.632653061,5.333333333,6,2,4,1.9,0.8288,1.144714243,1.889881575,0,2.381101578,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.459,0.458,0.41,0.311,2.6,7,3,0,0,0,0,0,0,0,21,1.945910149,2.197224577,1.945910149,0,0,0,0,0,0,0,3.295836866,1.238095238,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,3,0.5,3,0.666666667,0,0,0,0,0,0,0,0,0.6,0.095238095,0,0,0,0,0,0,0,0,0.695238095,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,20.23,101.1901498,3.584962501,3.218875825,3.80666249,4.634728988,5.252273428,6.084499413,6.708084084,7.5416831,8.166500319,9.000483165,65.41379081,2.397895273,0,3.663561646,0,5.081404365,0,6.532334292,0,7.989899375,8.256088134,86.07316494,5.379572809,10.46599026,1.74433171,2.301776695,2.301776695,0,28,3,0.752,24,1.213666667,2.13347701,2.941881878,3.444535819,4.246063323,0,0,0,0,0,83.58129439,123.8740659,82.05847493,19.69447963,4.314272084,0,0,0,0,0,275.8099435,377.5986728,386.0259901,216.989381,131.9835472,0,0,0,0,0,9.224577646,15.98057562,22.78511384,24.15319939,28.52702358,0,0,0,0,0,1.992968259,2.75849749,3.161539501,2.34896819,1.887854548,0,0,0,0,0,177.5531932,332.7104989,471.5074714,598.9822604,785.17206,0,0,0,0,0,3.847366667,6.948114342,10.5745465,6.3603048,4.246063323,0,0,0,0,0,0.43792144,0.637346,0.751247253,0.537139674,0.434796884,0,0,0,0,0,336.0664745,205.6756375,20.19574554,117.5550101,-71.94469985,-14.04561197,218.5114644,277.6203374,34.24135751,0.740852199,0.45340806,0.04452114,0.259147801,-0.158600733,-0.030963286,152.4469731,93.29888803,9.161224073,53.32547819,-32.63566156,-6.371391354,0.344666027,0.630319767,15.05119427,14.82735364,386.4290191,67.19246549,0.851875478,0.148124522,366.6561382,19.14826724,7.157362057,472.5073319,21.73723377,7.788781439,610.959245,24.71758979,8.485369272,1.261772097,1.108117876,181.91594,178.0250862,105.0414923,1.021855649,1.731848396,1.694807283,3.313636149,3.200382783,5.261876621,0.644139773,3.469429066,3.349174312,3.755993964,8.76651783,9.092569104,4.254151505,4.313745336,2.818345846,0.383025518,0.006350349,3.46E-24,3.76E-67,8.06E-132,3.41E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311080899,3.476037679,0.183154769,4.939135603,2.261322249,0.175853726,0.264262173,0.111197241,0.002697681,4.47E-05,2.44E-26,2.65E-69,5.68E-134,2.40E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.884731938,3.239814074,0.678258305,5.094417389,2.599705217,0.68002698,0.786609499,0.441539778,0.02811191,4.66E-04,2.54E-25,2.76E-68,5.92E-133,2.50E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.497816748,3.475708346,3.454422148,8.775624838,9.003862924,3.888394211,4.258980411,2.573993509,0.341268842,0.005658047,3.09E-24,3.35E-67,7.18E-132,3.04E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.237025736,3.150057735,1.087666401,5.385221129,3.07554692,1.123590088,1.159261523,0.734298479,0.061062821,0.001012387,5.52E-25,5.99E-68,1.29E-132,5.44E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.370465819,3.429414528,4.96665808,10.23210835,12.07697439,5.740463104,5.829783261,3.812342664,0.558606716,0.009261388,5.05E-24,5.48E-67,1.18E-131,4.98E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.502646623,2.506100512,1.264846713,7.692695208,7.918576523,1.49415608,2.686298364,1.106574842,0.091142305,0.001511088,8.24E-25,8.94E-68,1.92E-132,8.12E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.304407997,1.261028909,0.744305261,0.534697415,0.292599617,0.445497113,0.476833459,0.359523343,4.309742166,5.559698548,12.03233605,0.302046123,1.281853914,1.488666772,0.636279772,0.631889255,0.539991092,0.230800751,0.185540473,0.201600978,0.138114046,2.756835799,2.289939442,5.645306148,0.309986637,0.525255498,1.893352421,0.919920014,0.547933915,0.563295503,0.273687456,0.298457756,0.257590202,0.195359601,3.361206349,3.283220163,7.598780975,0.344943254,0.75140756,2.237899935,1.219142289,0.778210879,0.528398157,0.287855828,0.420293265,0.445151853,0.394521524,4.235253103,5.418626317,11.77708652,0.292597236,1.259966643,2.069409391,1.049564815,0.543530238,0.565025769,0.28657025,0.356850638,0.334405445,0.190701694,3.662504443,3.867236076,8.710276936,0.347538654,0.881957777,2.343287142,1.296590922,0.783182163,0.529788658,0.293143402,0.461426634,0.502819336,0.398504105,4.423060228,5.888972415,12.69156313,0.294682987,1.362750075,2.263937102,1.223384146,0.766858106,0.532167761,0.287572301,0.429796169,0.448739168,0.382544336,4.254179354,5.443945324,11.82206455,0.298251642,1.261079673 +UMLRON0070,L,2-Methyl-3-buten-2-ol,CC(C)(C=C)O,8257,Sandia Ron value was from the biocompoundML source for which I could not find the orginal source so I think we should use the co-optima database values which were measured by PNNL,Sandia,,C5H10O,PubChem,,102.7,0,0.561,0.314721,44.0696,25.601516,6,6,22,10,12,0,10,0,0,0,0,0,0,0,0,0,1454.833978,1732.190387,2314.332062,2109.623052,1243.022262,523.728914,84.835296,4.064256,0,4608.173951,6035.525316,8807.250395,8990.557479,6418.372324,3440.716553,1061.424631,124.3349777,0,156.026728,168.35726,303.264248,404.792112,352.830552,257.412296,123.32736,26.873856,0,33.22435486,44.04043172,67.54811506,73.54232287,56.36430997,33.18001696,12.01662072,1.778451619,0,3486.955385,3232.20849,6189.732738,8888.973485,7943.289696,6153.394655,3137.747111,739.6706081,0,42.55555556,53.19444444,85.83333333,101.9166667,85,56,23,4,0,66.12881718,75.31262552,55.10314433,37.01093074,24.86044524,14.15483551,4.713072,1.016064,0,209.4624523,262.4141442,209.696438,157.7290786,128.3674465,92.99233928,58.96803508,31.08374443,0,7.092124,7.31988087,7.220577333,7.101616,7.05661104,6.957089081,6.85152,6.718464,0,1.510197948,1.914801379,1.608288454,1.290216191,1.127286199,0.896757215,0.66759004,0.444612905,0,158.4979721,140.5308039,147.374589,155.9469032,158.8657939,166.3079637,174.3192839,184.917652,0,1.934343434,2.312801932,2.043650794,1.788011696,1.7,1.513513514,1.277777778,1,0,0.046659955,0.002027332,-0.013973144,-0.008576438,-0.017766071,-8.44E-05,0.008409237,0.006633513,0,660.3600491,36.01963904,-116.0632814,-93.05073419,-334.1822067,-43.02345774,120.0654635,100.0545529,0,1227.96771,66.98005689,-215.8246278,-173.0318136,-621.4260834,-80.00395684,223.2668563,186.0557136,0,0.12936,0.007056,-0.022736,-0.018228,-0.065464,-0.008428,0.02352,0.0196,0,5.489587008,0.299432019,-0.964836504,-0.773532715,-2.778063728,-0.357654911,0.998106729,0.831755607,0,29.81952376,1.626519478,-5.241007205,-4.201841984,-15.09048626,-1.942787154,5.421731592,4.51810966,0,3.444444444,0.75,0.055555556,-0.305555556,-2.111111111,-0.888888889,0.333333333,0.444444444,0,0.002120907,8.81E-05,-3.33E-04,-1.50E-04,-3.55E-04,-2.28E-06,4.67E-04,0.001658378,0,30.01636587,1.566071263,-2.763411461,-1.632469021,-6.683644133,-1.162796155,6.670303526,25.01363822,0,55.81671408,2.912176387,-5.138681613,-3.035645853,-12.42852167,-2.162269104,12.40371424,46.5139284,0,0.00588,3.07E-04,-5.41E-04,-3.20E-04,-0.00130928,-2.28E-04,0.001306667,0.0049,0,0.249526682,0.013018783,-0.022972298,-0.013570749,-0.055561275,-0.009666349,0.055450374,0.207938902,0,1.355432898,0.070718238,-0.124785886,-0.073716526,-0.301809725,-0.052507761,0.301207311,1.129527415,0,0.156565657,0.032608696,0.001322751,-0.005360624,-0.042222222,-0.024024024,0.018518519,0.111111111,0,0.04155999,-0.156863974,-0.070943151,-0.167532763,-0.001075612,0.220273614,0.781919372,0,0.052173913,-0.092063492,-0.054385965,-0.222666667,-0.038738739,0.222222222,0.833333333,0,0.052173913,-0.092063492,-0.054385965,-0.222666667,-0.038738739,0.222222222,0.833333333,0,0.052173913,-0.092063492,-0.054385965,-0.222666667,-0.038738739,0.222222222,0.833333333,0,0.052173913,-0.092063492,-0.054385965,-0.222666667,-0.038738739,0.222222222,0.833333333,0,0.052173913,-0.092063492,-0.054385965,-0.222666667,-0.038738739,0.222222222,0.833333333,0,0.208274895,0.008448541,-0.034238823,-0.269677419,-0.153443766,0.11827957,0.709677419,0,0.957956913,1.070764968,0.940200295,1.09920784,1.048056862,0.864859964,0.274367579,0,1.004347826,1.1,1.013157895,1.155,0.936486486,0.641666667,0,0,1.004347826,1.1,1.013157895,1.155,0.936486486,0.641666667,0,0,1.004347826,1.1,1.013157895,1.155,0.936486486,0.641666667,0,0,1.004347826,1.1,1.013157895,1.155,0.936486486,0.641666667,0,0,1.004347826,1.1,1.013157895,1.155,0.936486486,0.641666667,0,0,0.832047686,0.923387097,0.941850594,1.26,1.153443766,0.762096774,0,0,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,43.80845579,20.57579644,31.08689565,43.80409215,4.380409215,20.57579645,-0.168888889,0.396237976,0.039623798,-0.925740298,48.21065101,4.821065101,3.875579972,0,11.9,12.10017173,-0.136149425,0.064701075,6.9134375,8.936746114,11,23,20,17,5,3,0,0,0,6,13.118484,3.859257449,3.26603328,2.85748856,2.539816796,2.350475535,1.497315508,1.237267249,0.751328949,2.053489417,1.666412717,1.350290776,1.017671733,0.96709204,0.560658892,0.558549147,0.239945645,3.870555062,3.292828811,2.886123794,2.56564159,2.392125201,1.582151547,1.349619342,0.880447418,2.02070718,1.608211373,1.271973869,0.935409257,0.878464308,0.431838524,0.405755516,0.07238178,3.922762979,3.411592901,3.021737613,2.689753709,2.57664947,1.936158912,1.80215351,1.398225657,1.933750742,1.4354006,1.050516214,0.71673229,0.613469192,0.002051678,0.11598811,0.509133616,3.87900294,3.312633685,2.907765452,2.585208322,2.422938245,1.643877923,1.430332416,0.973259429,2.000738782,1.570956036,1.222656736,0.884900704,0.821618538,0.345688827,0.302643471,0.041356809,3.949942256,3.469681049,3.09278911,2.756903945,2.66634246,2.093887079,1.997147002,1.618269983,1.909106109,1.381402153,0.985972155,0.656595211,0.529849954,0.149920177,0.305761186,0.72446841,3.926253365,3.31720277,2.939257165,2.610550116,2.488349721,1.719552514,1.507173628,1.139579527,1.987536625,1.51610254,1.209776418,0.827598908,0.688123653,0.22732514,0.190703702,0.214836949,0,0,0,4,2,0,4,0,0,0,0,0,0.166666667,0.23570226,0,0,0,0.090277778,0.111452494,0.333333333,0,0.083333333,0,0.204124145,0,0.041666667,0,0.942809042,1.5,1.885618083,0.524377395,0.760310363,0.873962325,6.811554788,4.966326495,4.089073412,3.466326495,2.857589235,2.316496581,1.140119483,0.704124145,0.681155479,0.451484227,0.292076672,0.192573694,0.12989042,0.089096022,0.063339971,0.044007759,6.137828202,4.03445705,2.97581711,2.260616132,1.676176864,1.232084617,0.536873346,0.295028034,0.61378282,0.366768823,0.212558365,0.125589785,0.076189857,0.04738787,0.029826297,0.018439252,13.25096682,21.32702112,20.35294118,20.56,14.79132695,165.140309,0.602316674,0.969410051,0.92513369,0.934545455,0.672333043,7.506377681,2.5654,43.084,69.06175437,80.55467971,138.1235087,13.81235087,69.06175437,1.05E-15,1.05E-16,-34.48550877,35.25843786,3.525843786,3.562704872,90,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,4,0,0,4,0,0,0,0,0,0,0,0,0,0,4,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.95796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.576805556,0,1.290555556,0,0,1.576805556,0,0,0,0,0,0,0,0,0,0,5.37537037,0,0,8.80287037,0,0,0,0,3.155092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.577546296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.285972222,0,0,0.380972222,0,0,0,0,0,0,0,0,0,0,1.301759259,0,0,2.143009259,0,0,0,0,1.577546296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.258425926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.407430556,0,0.359305556,0,0,0.407430556,0,0,0,0,0,0,0,0,0,0,1.385925926,0,0,2.258425926,0,0,0,0,1.577546296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.33333333,1.733333333,0.407430556,2.258425926,0.116319444,1.301759259,5.854005278,0.198240741,0.258425926,1.605740741,0.198240741,0.258425926,1.605740741,5,0.5,0,0,0.48182,0.7,0.44286,0.44286,0.7,0.03896,0.03896,0,0,0.71429,0,0,0,0.2,0,11.5,1.15,5.5,0.55,6,0.6,0.5,0.05,0,0,6.41361,0.64136,10.92696,4.51335,0.45133,2.98601,0.2986,4.96631,1.9803,0.19803,-0.05231,-0.00523,0.11969,0.01197,0.454545455,31,0,0,0,0,0,0,0.4,0.994030211,2.368522528,2.913977073,3.095795255,3.095795255,3.095795255,21.86866465,52.10749561,64.10749561,68.10749561,68.10749561,68.10749561,0.222905136,0.531126549,0.653441363,0.694212967,0.694212967,0.694212967,3.465401407,2.090909091,1.545454545,1.363636364,1.363636364,1.363636364,0.211476005,0.503893821,0.619937122,0.658618223,0.658618223,0.658618223,6.685280239,17.6733325,20.22163251,20.40487343,20.40487343,20.40487343,36.74662124,28.08813825,24.23565963,23.70495723,23.70495723,23.70495723,6.694214876,2.93877551,1.382716049,0,6,0,2.56,1.1714,0,0,0,0,11.67863166,8.596559455,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.115,0.112,0.679,0.88,5.25,14,18,22,26,18,16,14,12,0,161,2.708050201,3.198673118,3.70745584,4.172462341,4.613262356,4.345427482,4.375363863,4.385925275,4.375363863,0,6.335608176,3.498835404,0.4,2,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,3,0,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,5,0.666666667,1,0.888888889,0.25,0.284444444,0,0,0,0,0,0,0.090909091,0.063492063,0.020833333,0.047407407,0,0,0,0,0,0,0.222641895,22.1589889,32.1589889,44.3179778,4.43179778,22.1589889,5.27E-16,5.27E-17,-35.17865595,5000017.121,500001.7121,15.42495189,0,137.9940115,4.321928095,3.931825633,4.744932128,5.572154032,6.401917197,7.23489842,8.068089626,8.902047346,9.735956081,10.57005972,86.16188019,3.135494216,0,4.369447852,0,5.84932478,0,7.43543802,0,9.066816362,9.288504393,132.0939004,6.004268199,20.65842448,2.065842448,0,0,0,109,12,3.454,50,1.26407814,2.2115582,2.997464741,3.875003081,4.888970194,5.725451817,6.536119692,0,0,0,105.8939133,131.4784064,119.0040356,105.8284698,70.42551243,26.77244013,6.641115919,0,0,0,356.6954994,488.3868363,497.1567436,527.8928496,461.2158995,336.0194561,203.1670741,0,0,0,9.287117082,16.01314024,21.34745465,27.42695893,34.04035647,39.22041676,43.91268485,0,0,0,2.556012155,3.698534641,4.020179734,4.56441283,4.43377781,3.809466681,2.906043163,0,0,0,175.5116945,322.901804,463.0072922,609.4683663,810.9240105,998.6644862,1208.643907,0,0,0,3.01512687,4.63160213,5.496206538,6.77952659,7.436249807,7.27995977,6.536119692,0,0,0,0.52444265,0.767144899,0.844623045,0.969697879,0.959600068,0.846263164,0.669298656,0,0,0,266.5928037,128.0462724,10.92006714,82.8671966,-39.8016581,-4.769739591,183.7256071,167.8479305,15.68980673,0.762870725,0.366411813,0.031248404,0.237129275,-0.113894746,-0.013648886,93.16352125,44.74705037,3.816126666,28.95877055,-13.90908745,-1.666833199,0.129161521,0.128011686,2.717308857,1.658627492,349.4600003,0,1,0,775.9487653,27.85585693,9.189199539,893.0424475,29.88381581,9.629950039,1352.238598,36.77279698,11.05820006,1.347212784,1.347212784,573.6590913,419.2773241,179.9054061,1.368209198,3.188670667,2.330543218,4.086753357,3.868376546,7.157029755,0.850137821,3.673442926,5.408424979,3.684304781,21.51468933,5.022378492,8.070012956,7.41531405,7.199506241,5.616695033,1.183624192,4.37596869,0.616000474,0.897873633,7.79E-06,1.38E-31,4.70E-79,3.09E-148,3.92E-239,0,0,0,0,0,0,0,0,0,0,0,0,0.308289329,5.40825611,0.298079602,7.584607809,1.098408806,1.153643338,1.267345778,0.387983358,1.611143039,0.037260529,0.258545722,0.004338547,0.006323797,5.49E-08,9.70E-34,3.31E-81,2.18E-150,2.76E-241,0,0,0,0,0,0,0,0,0,0,0,0,0.995188921,5.408267771,0.969533762,8.99320581,1.633869952,2.437850811,2.421203171,1.354411912,2.042720224,0.161183098,0.906241981,0.045210962,0.065898845,5.72E-07,1.01E-32,3.45E-80,2.27E-149,2.88E-240,0,0,0,0,0,0,0,0,0,0,0,0,3.467430634,5.408406571,3.470016812,20.15430489,4.688229104,7.601467363,7.003183204,6.632530761,5.234909361,1.074503849,4.055711771,0.548845335,0.799989242,6.94E-06,1.23E-31,4.19E-79,2.75E-148,3.50E-239,0,0,0,0,0,0,0,0,0,0,0,0,1.466723957,5.408282548,1.436329164,10.3861945,2.08028109,3.357297457,3.243301062,2.143713898,2.453608106,0.278935512,1.408098864,0.098204239,0.143141097,1.24E-06,2.20E-32,7.49E-80,4.93E-149,6.25E-240,0,0,0,0,0,0,0,0,0,0,0,0,4.436213716,5.408502294,4.485648403,27.12791642,6.366230076,9.85606857,8.981848041,9.469051054,7.185338979,1.631862036,5.63916194,0.898378782,1.30946431,1.14E-05,2.01E-31,6.85E-79,4.51E-148,5.72E-239,0,0,0,0,0,0,0,0,0,0,0,0,2.074023417,4.82940734,2.021028669,12.3526983,2.566591022,4.481939368,4.610322257,3.518479827,3.288863166,0.471984862,2.195407342,0.205029758,0.298848472,2.59E-06,4.58E-32,1.56E-79,1.03E-148,1.31E-239,0,0,0,0,0,0,0,0,0,0,0,0,4.085920218,2.144047536,0.378660461,0.618270553,0.324431556,0.509523243,0.539911457,0.230409761,6.608628214,11.11944964,21.04529767,0.427405829,1.279844461,3.146742035,1.265242337,0.096581299,0.697947477,0.280630788,0.302224421,0.188031645,0.014950717,4.508565671,4.407506431,9.300600042,0.546921215,0.505206783,3.465015226,1.563059066,0.192189321,0.6637625,0.299421482,0.366443771,0.286957272,0.059269515,5.220263613,6.382365647,12.64353113,0.49564375,0.712670558,4.05624501,2.11628055,0.369749393,0.620005279,0.323477776,0.502149496,0.526017961,0.219681055,6.542274954,10.86644,20.5827001,0.430007919,1.247848512,3.62760563,1.71519862,0.241023704,0.649662859,0.307172541,0.401636351,0.34553369,0.093259046,5.583827953,7.509806639,14.59329955,0.474494288,0.840429087,4.181597149,2.233571713,0.407390385,0.612907415,0.327380332,0.533663274,0.585938983,0.266743705,6.822559246,11.95337522,22.58091874,0.419361122,1.386345961,4.06741877,2.117864382,0.369975604,0.620481803,0.323078686,0.504919986,0.526803608,0.219971792,6.555258756,10.90264521,20.64496311,0.430722704,1.251695385 +UMLRON0071,L,"1,2,3,4-tetrahydronaphthalene",C1CCC2=CC=CC=C2C1,8404,,"Sandia, UML",[1],C10H12,PubChem,,96.4,0,-0.7702,0.59320804,20.2676,14.936344,0,0,14,6,8,0,5,0,1,0,0,0,0,0,0,0,985.417118,1010.341298,1303.426247,654.742122,76.700736,0,0,0,0,2582.645241,3338.206942,4683.164353,3142.304322,701.0594557,0,0,0,0,104.802008,104.67752,198.526316,252.45612,118.50624,0,0,0,0,18.14460724,24.19219448,36.21834058,27.96981576,7.474426802,0,0,0,0,2298.764282,2012.295491,4130.289809,5716.396351,2959.748931,0,0,0,0,68.77777778,35.41666667,61.41666667,85.66666667,40,0,0,0,0,70.386937,72.16723557,48.27504619,19.25712124,4.793796,0,0,0,0,184.4746601,238.443353,173.4505316,92.42071535,43.81621598,0,0,0,0,7.485857714,7.476965714,7.352826519,7.42518,7.40664,0,0,0,0,1.296043374,1.728013891,1.341420021,0.82264164,0.467151675,0,0,0,0,164.1974487,143.7353922,152.9736966,168.1293045,184.9843082,0,0,0,0,4.912698413,2.529761905,2.274691358,2.519607843,2.5,0,0,0,0,0.119095345,-0.040669366,-0.004816365,0.006081973,-0.020143915,0,0,0,0,480.0001234,2.70E-13,-80.13717518,-260.085762,100.2228755,0,0,0,0,703.208428,1.56E-13,-259.8424409,-450.2592987,358.4975257,0,0,0,0,1.006693714,2.95E-16,0.065816408,-0.287259592,-0.281903673,0,0,0,0,3.155024204,-1.50E-15,-1.476246983,-2.068416158,1.967151039,0,0,0,0,17.60532202,5.77E-15,-8.537594237,-11.45002073,11.18495395,0,0,0,0,32.07936508,0.876984127,1.049319728,-9.240362812,-8.725623583,0,0,0,0,0.00850681,-0.002904955,-1.78E-04,1.79E-04,-0.001258995,0,0,0,0,34.2857231,1.93E-14,-2.968043525,-7.649581236,6.263929719,0,0,0,0,50.22917343,1.12E-14,-9.623794109,-13.24292055,22.40609535,0,0,0,0,0.071906694,2.11E-17,0.002437645,-0.008448812,-0.01761898,0,0,0,0,0.225358872,-1.07E-16,-0.054675814,-0.060835769,0.12294694,0,0,0,0,1.257523002,4.12E-16,-0.316207194,-0.336765315,0.699059622,0,0,0,0,2.29138322,0.062641723,0.038863694,-0.271775377,-0.545351474,0,0,0,0,-0.341485769,-0.020969537,0.02102804,-0.147998445,0,0,0,0,5.63E-16,-0.086567914,-0.223112729,0.182697903,0,0,0,0,2.22E-16,-0.1915977,-0.26364998,0.446077326,0,0,0,0,2.93E-16,0.033900109,-0.117496871,-0.245025583,0,0,0,0,-4.75E-16,-0.242616649,-0.26995063,0.545560683,0,0,0,0,3.28E-16,-0.251452414,-0.267800521,0.555902056,0,0,0,0,0.027337952,0.0169608,-0.118607562,-0.23800099,0,0,0,0,0.968817907,0.693378388,1.042811493,1.453733881,0,0,0,0,0.952203536,0.987470333,1.14219339,0.760804766,0,0,0,0,1.211847767,1.256731018,1.088737224,0.19283301,0,0,0,0,0.467743913,0.485067762,1.241935077,1.82056019,0,0,0,0,1.295695716,1.343684446,1.071474411,0.009415622,0,0,0,0,1.299983779,1.348131326,1.070591575,3.55E-05,0,0,0,0,0.441427511,0.490296333,1.247187618,1.823602177,0,0,0,0,15.19518796,7.722593978,11.38889539,15.36185462,2.560309104,7.723982562,0.25,0.097222757,0.016203793,-1.398450281,28.21293259,4.702155431,2.003868285,15.19693001,7.723097794,11.38976614,15.36310706,2.560517844,7.724485417,0.249265579,0.097162003,0.016193667,-1.398825337,28.22674482,4.70445747,2.004161956,16.74127642,8.17114097,12.25106533,16.4752801,2.745880017,8.171931591,-0.398994478,0.036805407,0.006134234,-1.981266315,349.3110906,58.2185151,3.513577741,15.19875833,7.723626563,11.39068022,15.36442153,2.560736921,7.725013179,0.2484948,0.09709822,0.016183037,-1.399219341,28.24126868,4.706878113,2.004470602,18.37983666,8.648771196,13.38115538,17.65830715,2.943051191,8.649236386,-1.082294264,0.032564281,0.00542738,-2.054723559,33.18047235,5.530078725,2.101176912,15.37762057,7.775377376,11.48120403,15.49304336,2.582173893,7.776670015,0.173134186,0.090759727,0.015126621,-1.439723777,29.8139717,4.968995283,2.03698628,14.56339074,7.322768126,10.76772433,14.82074524,2.470124207,7.32529646,0.772063492,0.16235719,0.027059532,-1.090773896,19.60165013,3.266941689,1.785368252,0,11.9,15.99491589,-0.299186024,0.187717394,4.018497837,6.400697372,6,14,13,13,5,1,1,0,0,1,9.703656,3.660553052,2.721430928,2.459820995,1.567748549,1.19006016,0.083923071,0.083923071,0.083923071,1.724171079,1.637660892,0.757863935,0.628176547,0.184019975,0.083923071,0.083923071,0.083923071,3.635593714,2.613615742,2.510897621,1.461731566,1.30885592,0.270913902,0.270913902,0.270913902,1.655976007,1.637311729,0.62194973,0.556297773,0.260704611,0.270913902,0.270913902,0.270913902,3.761234391,2.850640096,2.734801489,1.917462401,1.778468089,0.943918427,0.943918427,0.943918427,1.452583651,1.449354072,0.172849073,0.128727721,0.267244541,0.943918427,0.943918427,0.943918427,3.639845897,2.597400255,2.548571849,1.450216432,1.39352899,0.399277246,0.399277246,0.399277246,1.639997615,1.612285733,0.54565259,0.531260614,0.223018367,0.399277246,0.399277246,0.399277246,3.796387309,2.882748301,2.841861735,2.010139246,1.978039144,1.207644823,1.207644823,1.207644823,1.423580518,1.38842831,0.055714193,0.016182923,0.414695574,1.207644823,1.207644823,1.207644823,5.212268516,3.454535089,2.615153931,2.223434717,1.560961402,0.652173913,0.652173913,0.652173913,1.548560608,1.383603685,0.366685159,0.175860764,0.582269606,0.652173913,0.652173913,0.652173913,0,0,0,1,0,0,4,0,0,0,0,0.144337567,0.144337567,0,0,0,0.125,0.051031036,0,0.288675135,0,0,0,0.102062073,0,0,0,0.40824829,0.433012702,0,0.144337567,0.153093109,0,4.405777394,2.89384685,2.389628766,1.64384685,1.129936127,0.288675135,0,0,0.734296232,0.482307808,0.341375538,0.234835264,0.161419447,0.144337567,0,0,3.736675415,2.411230926,1.745781916,1.161230926,0.769337567,0.102062073,0,0,0.622779236,0.401871821,0.249397417,0.165890132,0.109905367,0.051031036,0,0,7.88211032,13.8820102,13.25098039,13.44,8.674457485,107.0102359,0.56300788,0.991572157,0.946498599,0.96,0.619604106,7.643588281,1.1295,23.475,18.09925825,25.29161865,36.19851651,6.033086084,18.09925827,0.064833572,0.010805595,-1.641559038,30.97618464,5.16269744,2.059931203,29,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,2,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24305556,0.453703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.414583333,0.802777778,0,0,0,0,0,0,0,0,0,0,0,0,3.969907407,0,0,0,0,0,0,0.453703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24305556,0.453703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305902778,0.401388889,0,0,0,0,0,0,0,0,0,0,0,0,0.847222222,0,0,0,0,0,0,0.453703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24305556,0.453703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,0,0,1.137731481,0,0,0,0,0,0,0.453703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66666667,2.444444444,0.565972222,10.24305556,0.305902778,0.453703704,1.849523148,1.212962963,3.243055556,6.486111111,1.212962963,3.243055556,6.486111111,2.83333,0.47222,0,0.02778,0.52619,0.82778,0.43333,0.52619,0.82778,0.09286,0,-0.09286,0,0.57047,0.14382,0,0.11765,0.17647,0,4.75,0.79167,3.25,0.54167,1.5,0.25,-1.75,-0.29167,0,0,3.68665,0.61444,5.2306,1.54395,0.25733,2.20568,0.36761,2.89384,0.68816,0.11469,0.02016,0.00336,0.10616,0.01769,0.357142857,6.01,1,1,1,1,0,0,0.8,1.263809174,1.807354922,2.378783493,2.378783493,2.378783493,2.378783493,17.69332843,25.30296891,33.30296891,33.30296891,33.30296891,33.30296891,0.331938892,0.47470093,0.624786379,0.624786379,0.624786379,0.624786379,2.543545748,2,1.428571429,1.428571429,1.428571429,1.428571429,0.3234821,0.462606996,0.608868724,0.608868724,0.608868724,0.608868724,11.18095047,17.70349945,18.27939946,18.27939946,18.27939946,18.27939946,21.78168418,17.12333716,17.56366876,17.56366876,17.56366876,17.56366876,4.166666667,1.632653061,0.979591837,0,1,0,1.9,0.7202,0,0,0,0,4.242640687,2.828427125,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.405,0.403,0.748,0.387,3.245,7,7,7,2,0,0,0,0,0,35,2.079441542,2.302585093,2.302585093,2.302585093,1.609437912,0,0,0,0,0,3.80666249,1.257142857,0.333333333,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,3,0.5,1,0.444444444,0.222222222,0,0,0,0,0,0,0,0.166666667,0.063492063,0.111111111,0,0,0,0,0,0,0,0.341269841,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.07,88.83369113,3.584962501,3.295836866,4.007333185,4.762173935,5.493061443,6.251903883,6.989335266,7.747164967,8.487764381,9.243871855,68.27844578,2.564949357,0,3.713572067,2.397895273,5.017279837,4.442651256,6.385194399,6.224558429,7.788626066,8.245646901,84.05751488,6.004108205,11.57549817,1.929249695,2.461233746,2.461233746,0,26,2,0.351,26,1.4272484,2.522779342,3.327768695,4.101489997,0,0,0,0,0,0,126.9809917,143.700827,78.47407462,22.97038935,0,0,0,0,0,0,395.138052,478.9146831,332.4376811,190.8633599,0,0,0,0,0,0,10.76038175,18.81752593,25.1430202,30.98099088,0,0,0,0,0,0,2.759616845,3.576609806,2.827553324,1.935758245,0,0,0,0,0,0,200.5563045,380.9274749,556.2826925,758.7696696,0,0,0,0,0,0,3.821326232,6.47336511,9.480198073,11.5674827,0,0,0,0,0,0,0.58887794,0.800959231,0.707820619,0.547412184,0,0,0,0,0,0,261.432116,102.2453659,13.29286726,66.328053,-25.94071514,-17.93227771,195.104063,128.1860811,31.22514497,0.797632357,0.311951773,0.040556689,0.202367643,-0.079145417,-0.054711583,85.68703451,33.51195842,4.35687242,21.73969386,-8.502333179,-5.877486373,0.339148862,0.764952108,18.37712924,44.96417301,268.9797923,58.78037665,0.820660403,0.179339597,301.5123266,17.3641103,6.705559554,379.0086152,19.4681436,7.23685205,446.5289739,21.13123219,7.643340632,1.345243924,1.328393467,319.5642169,259.1459803,91.37012881,1.233143638,3.497469261,2.836222119,3.83103484,3.649051612,5.70136841,0.562424711,2.231204427,2.59584145,1.457328555,6.442929699,6.733181116,6.493124408,2.752908777,3.635368369,0.642182098,0.688699761,1.34E-04,2.00E-28,5.74E-74,3.18E-141,3.40E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.187249527,2.927702002,0.710107049,2.173112608,1.427648754,1.213860032,2.197370418,0.207752096,0.831333337,0.076988342,1.50E-05,2.23E-29,6.41E-75,3.56E-142,3.80E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.604464297,2.310483702,0.843091812,2.782963694,1.548956142,1.879577799,1.285296588,0.48185575,0.448718098,0.13336603,2.59E-05,3.87E-29,1.11E-74,6.16E-142,6.58E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.106074973,2.926485853,1.404671911,6.088950366,6.598251393,6.036280744,3.208038895,3.862213918,0.852902237,0.865032464,1.68E-04,2.51E-28,7.21E-74,3.99E-141,4.27E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.890869158,2.075938833,0.940183239,3.279314346,1.90425748,2.455813142,0.998437539,0.647486956,0.302706899,0.132057293,2.57E-05,3.83E-29,1.10E-74,6.10E-142,6.52E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.694502476,2.805304737,1.660140776,7.858678241,9.101284434,8.397828357,3.57365066,5.291825597,0.78158989,1.005852082,1.96E-04,2.92E-28,8.38E-74,4.64E-141,4.97E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.423499989,6.489314298,1.146535203,4.533177355,7.565356959,4.0042188,8.00900747,5.897903106,2.837564255,2.050476603,3.99E-04,5.94E-28,1.71E-73,9.47E-141,1.01E-229,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.182467206,1.696338692,0.623639576,0.484729292,0.376759408,0.347550487,0.454582805,0.430606078,4.502445473,6.121180429,12.93246656,0.29223305,1.23273937,3.416600334,0.906638423,0.186249723,0.757646981,0.201051278,0.788935374,0.118214996,0.036194463,4.50948848,3.90282316,8.989242719,0.636470472,0.943344834,2.365528735,1.262031239,0.355116284,0.593954563,0.316880197,0.381046149,0.230309103,0.136315678,3.982676258,4.273576778,9.316406949,0.390931844,0.74767093,2.427989673,1.640585374,0.602371682,0.519806757,0.351231874,0.410994226,0.405058371,0.396636504,4.670946729,6.434118739,13.50450725,0.306557947,1.212689102,1.999844572,1.429656419,0.436678981,0.51726629,0.369785274,0.27717051,0.30055252,0.210361917,3.866179971,4.356681626,9.471366379,0.330577346,0.788084947,2.23603648,1.742381778,0.658335764,0.482241773,0.375776194,0.369062813,0.486291067,0.479783417,4.636754022,6.51516424,13.71681363,0.28702695,1.335137296,2.499386578,1.632683256,0.601876789,0.52797101,0.344888396,0.433336142,0.399002082,0.394685747,4.733946623,6.56770354,13.75773276,0.309289108,1.227023971 +UMLRON0072,L,Cyclopentanone,C1CCC(=O)C1,8452,[11] has RON of 101; Sandia and co-optima database mon values from co-optima api report since source [1] from uml seems reliable I would go with these,"Sandia, UML","[1], [9]",C5H8O,PubChem,,104,0,1.1045,1.21992025,47.0813,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2016.744924,1941.144755,1412.516623,890.996068,343.143529,59.605056,3.048192,4670.34144,5841.481647,7938.731209,8337.567344,7102.446203,5162.672522,2672.989803,800.8676542,93.25123329,169.463656,175.052008,301.220976,383.016332,381.324796,355.509904,228.518884,102.373632,20.155392,34.11358067,43.47862034,62.19060946,68.52633425,61.82491149,48.10676025,27.05048403,9.344919193,1.333838715,3856.790689,3411.659229,6337.774435,8455.934033,8561.2468,8435.224566,5567.232656,2646.584363,554.7529561,48.80555556,58.88888889,86.16666667,101.8333333,100,84.33333333,50.5,19,3,60.70275442,67.17251842,48.01773629,35.94712509,26.15771524,17.47051114,10.39828876,3.9736704,1.016064,194.59756,243.3950686,189.0174097,154.3993953,131.5267815,101.228873,80.99969099,53.39117695,31.08374443,7.060985667,7.293833667,7.171928,7.092895037,7.061570296,6.970782431,6.924814667,6.8249088,6.718464,1.421399194,1.811609181,1.480728797,1.26900619,1.144905768,0.943269809,0.819711637,0.622994613,0.444612905,160.6996121,142.1524679,150.8993913,156.591371,158.5416074,165.3965601,168.7040199,176.4389575,184.917652,2.033564815,2.453703704,2.051587302,1.885802469,1.851851852,1.653594771,1.53030303,1.266666667,1,0.055581834,-0.00450474,-0.015137878,-0.002509593,-0.015954422,-0.001129692,-7.58E-04,0.007943012,0.00426043,706.2183858,-6.39E-14,-35.31091929,-55.48858746,-337.9759418,-58.01079598,-42.87754485,113.4993834,63.05521302,1313.243245,2.13E-13,-65.66216225,-103.1833978,-628.4806959,-107.8735523,-79.73262559,211.0569501,117.2538612,0.138343333,2.24E-15,-0.006917167,-0.010869833,-0.066207167,-0.011363917,-0.008399417,0.02223375,0.012352083,5.870808328,1.36E-14,-0.293540416,-0.461277797,-2.809601129,-0.48224497,-0.356441934,0.943522767,0.524179315,31.89032402,-1.08E-13,-1.594516201,-2.505668316,-15.26179792,-2.61956233,-1.936198244,5.125230645,2.847350359,4.795138889,-0.46875,0.233506944,0.665798611,-2.296006944,-0.668836806,-0.704427083,0.46484375,0.376302083,0.00231591,-1.88E-04,-3.60E-04,-4.65E-05,-2.95E-04,-2.22E-05,-2.30E-05,5.30E-04,0.001420143,29.42576608,-2.66E-15,-0.840736174,-1.027566434,-6.258813737,-1.137466588,-1.299319541,7.566625563,21.01840434,54.71846854,8.88E-15,-1.563384816,-1.910803663,-11.6385314,-2.115167692,-2.416140169,14.07046334,39.08462039,0.005764306,9.32E-17,-1.65E-04,-2.01E-04,-0.001226059,-2.23E-04,-2.55E-04,0.00148225,0.004117361,0.244617014,5.67E-16,-0.006989058,-0.008542181,-0.052029651,-0.009455784,-0.010801271,0.062901518,0.174726438,1.328763501,-4.50E-15,-0.037964671,-0.046401265,-0.282625887,-0.051363967,-0.058672674,0.341682043,0.949116786,0.199797454,-0.01953125,0.005559689,0.012329604,-0.042518647,-0.013114447,-0.021346275,0.030989583,0.125434028,-0.081046983,-0.155630267,-0.020067249,-0.127575028,-0.009564636,-0.009918669,0.228650587,0.613211824,-9.06E-17,-0.028571429,-0.034920635,-0.212698413,-0.038655462,-0.044155844,0.257142857,0.714285714,1.62E-16,-0.028571429,-0.034920635,-0.212698413,-0.038655462,-0.044155844,0.257142857,0.714285714,1.62E-14,-0.028571429,-0.034920635,-0.212698413,-0.038655462,-0.044155844,0.257142857,0.714285714,2.32E-15,-0.028571429,-0.034920635,-0.212698413,-0.038655462,-0.044155844,0.257142857,0.714285714,-3.38E-15,-0.028571429,-0.034920635,-0.212698413,-0.038655462,-0.044155844,0.257142857,0.714285714,-0.09775525,0.027826627,0.061710516,-0.212808754,-0.06563871,-0.106839576,0.155104996,0.627805938,1.173200921,1.049672908,0.945006845,1.097084388,0.938267977,1.019858679,0.736288102,0.310888129,1.15,1.079591837,1.022222222,1.168253968,0.927731092,0.896103896,0.525714286,0,1.15,1.079591837,1.022222222,1.168253968,0.927731092,0.896103896,0.525714286,0,1.15,1.079591837,1.022222222,1.168253968,0.927731092,0.896103896,0.525714286,0,1.15,1.079591837,1.022222222,1.168253968,0.927731092,0.896103896,0.525714286,0,1.15,1.079591837,1.022222222,1.168253968,0.927731092,0.896103896,0.525714286,0,1.265749457,0.904106755,0.845066645,1.218869847,1.028013233,1.035613192,0.639536568,0,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,53.47018582,26.36974711,40.8158777,53.38785249,5.338785249,26.36974711,-0.205833333,0.40961866,0.040961866,-0.89252865,40.7712947,4.07712947,3.707978272,0,11.85,12.1501118,-0.209912607,0.090223817,5.601666108,9.072760389,10,24,21,18,4,3,0,0,0,6,15.304898,3.800553388,3.300106495,2.740218449,2.619181914,2.444398039,1.804739059,1.163709156,0.941428501,2.001824673,1.732960006,1.42816176,1.082250302,1.013929276,0.832448724,0.433950696,0.310513972,3.812484671,3.328394347,2.785434122,2.645815032,2.484334788,1.888110927,1.267709641,1.053336623,1.968123094,1.669338321,1.331598489,1.007167592,0.927631179,0.71011407,0.283171921,0.150156259,3.867115504,3.45536442,2.992419406,2.771820215,2.652140743,2.231870042,1.695660318,1.517793787,1.878521577,1.481081079,1.034252875,0.798620231,0.68494011,0.295587422,0.225606429,0.396843083,3.821379157,3.349394459,2.819379244,2.665925019,2.513196408,1.948416887,1.343018712,1.134811365,1.947607648,1.628606968,1.26876728,0.960278991,0.873919006,0.627461673,0.181813002,0.041902902,3.89528271,3.518232671,3.094272604,2.838078588,2.732168434,2.384378828,1.883760183,1.721464227,1.852898206,1.422866863,0.939332824,0.738564276,0.610366649,0.148591038,0.407574243,0.594311107,3.847762949,3.320838122,2.870322016,2.756996632,2.577474451,1.985955602,1.374562599,1.255336616,1.947732517,1.609247132,1.193106268,0.858459866,0.802501385,0.557014447,0.113589126,0.089369861,0,0,0,5,1,2,1,1,0,0,0,0,0.102062073,0.058925565,0,0,0,0.032075015,0.018518519,0.402368927,0,0.11785113,0,0.30034919,0,0.068041382,0,1.089255651,1.339255651,1.373773448,0.715203943,0.725729982,0.623411431,7.397341225,4.842535255,3.783622271,3.098518319,2.036535719,1.41711029,0.569035594,0.319035594,0.739734123,0.484253526,0.315301856,0.221322737,0.145466837,0.101222164,0.071129449,0.053172599,6.671208396,3.892064078,2.719979463,1.980980521,1.017274032,0.582361414,0.225115408,0.108587098,0.66712084,0.389206408,0.226664955,0.141498609,0.072662431,0.041597244,0.028139426,0.01809785,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,3.2001,45.148,41.88157561,60.63834098,83.76315123,8.376315123,41.88157561,0.23147766,0.023147766,-1.463271913,38.30092131,3.830092131,3.645473951,90,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,4,0,0,5,0,0,0,0,0,0,0,0,2,0,1,0,0,5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.08518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.997814626,0,1.18586593,0,0,1.997814626,0,0,0,0,0,0,0,0,4.479166667,0,1.226203704,0,0,10.63611111,0.709444444,0,0,0,1.449074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.449074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.25461593,0,0,0.380972222,0,0,0,0,0,0,0,0,2.219907407,0,1.226203704,0,0,2.061388889,0.709444444,0,0,0,1.449074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.188657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.42100907,0,0.359305556,0,0,0.42100907,0,0,0,0,0,0,0,0,2.259259259,0,1.226203704,0,0,2.188657407,0.709444444,0,0,0,1.449074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.5,1.85,0.42100907,2.259259259,0.116319444,0.709444444,6.297556111,0.623888889,0.259259259,2.230555556,0.623888889,0.259259259,2.230555556,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.80028,0.68003,11.56742,4.76714,0.47671,2.88621,0.28862,4.84252,1.95631,0.19563,0.07148,0.00715,0.15748,0.01575,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.345437252,3.090199877,3.740601563,3.938721876,3.855388542,23.51685016,56.29049406,74.16479704,89.77443751,94.52932501,92.52932501,0.213713581,0.511549931,0.673985856,0.815841255,0.859052146,0.840876788,3.605093744,2.239525248,1.494762624,0.844360938,0.646240625,0.729573959,0.206076118,0.493268716,0.649899682,0.786685607,0.828352274,0.810826448,6.772325919,17.12993833,21.02005558,23.85331982,24.05299043,23.05299043,37.92632204,28.30072848,22.21202699,17.51591511,16.96403542,18.25651667,8.1,4,2.285714286,4,6,4,2.56,1.28,0.333333333,3.422158352,2.149139864,0,6.945629182,6.085553735,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.151,0.144,0.514,0.649,4.689,12,14,14,14,8,6,2,0,0,90,2.63905733,3.068052935,3.518980417,3.914519886,4.313312742,3.765551102,3.725693427,2.784239339,0,0,5.696883733,3.299305556,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,0,3,6,1,1.5,1.111111111,0.4375,0.191111111,0.152777778,0.04,0,0,0,0,0.15,0.092592593,0.039772727,0.027301587,0.038194444,0.04,0,0,0,0,0.387861352,24.96027687,37.10029833,49.92055373,4.992055373,24.96027687,0.054700231,0.005470023,-2.905887347,107.3580669,10.73580669,4.676169667,0,150.3504702,4.321928095,3.80666249,4.574710979,5.361292166,6.150602768,6.944087208,7.737616283,8.532475815,9.326967184,10.12202049,82.55643538,3.044522438,0,4.234106505,0,5.65248918,0,7.158513997,0,8.703008637,8.947285869,134.1095504,5.587897935,19.52724104,1.952724104,0,0,0,121,11,4.011,44,1.236512656,2.164930193,2.965069029,3.722678127,4.377382855,5.526216698,6.674735984,7.865256659,0,0,92.91185031,113.623177,113.7825863,109.9191829,89.83009648,62.79788839,27.37127644,7.991604142,0,0,323.9803594,435.048515,479.9816946,521.5386142,490.6483874,470.167588,362.7685305,244.4816279,0,0,9.050443239,15.5781293,21.08772308,26.3444751,30.65935821,38.34859606,45.58498675,52.84244372,0,0,2.364973853,3.357973835,3.902985892,4.444923356,4.447755108,4.689780193,4.20947443,3.496994611,0,0,173.8105839,323.0953877,460.1231939,586.3675213,712.9773203,926.0664688,1175.252245,1454.424794,0,0,3.114146793,4.578796416,5.731753281,7.060622534,7.637206833,8.676222211,8.531130624,7.865256659,0,0,0.486961494,0.699231276,0.820900107,0.942370207,0.953502675,1.020891038,0.938932867,0.805402282,0,0,278.7156861,149.7492451,10.98142046,79.87957471,-42.91795046,-4.776660073,198.8361114,192.6671956,15.75808053,0.777243083,0.417599621,0.03062344,0.222756917,-0.119683541,-0.013320477,99.94612417,53.69936961,3.937885333,28.64443693,-15.39017364,-1.712887665,0.115465203,0.12048862,1.438085983,0.954879563,358.5952608,0,1,0,726.8842238,26.96079049,8.991284665,863.5642905,29.38646441,9.522805011,1267.367914,35.60011115,10.82183487,2.065462657,2.065462657,710.0231553,603.0350707,163.6959785,1.177416024,4.337450202,3.683872237,4.395404959,4.443439901,7.963231373,0.792132121,4.313020202,4.901461064,4.567414572,16.895635,5.163184263,8.070454164,5.380535607,8.837713579,5.556137655,4.514281356,4.865549702,3.022609564,1.732812076,1.271591476,1.718141754,4.99E-13,2.93E-47,3.44E-103,8.03E-181,3.70E-280,0,0,0,0,0,0,0,0,0,0,0.362071417,4.719493148,0.355661999,6.191825066,1.545866239,1.405964561,1.139685742,1.6100042,0.870635021,0.313646507,1.18595271,0.32815992,0.082699843,0.068488127,0.012101013,3.52E-15,2.06E-49,2.42E-105,5.65E-183,2.61E-282,0,0,0,0,0,0,0,0,0,0,1.168544138,4.731653019,1.165698124,7.381465906,1.888466846,2.336716091,1.923670042,2.757506624,1.337557848,1.014438501,1.921144012,0.671880515,0.308295191,0.246277366,0.126101884,3.67E-14,2.15E-48,2.52E-104,5.89E-182,2.72E-281,0,0,0,0,0,0,0,0,0,0,4.071145892,4.881482728,4.29200166,15.88827427,4.801723934,7.510476081,5.092023951,8.279264004,5.096129847,4.201704934,4.634665033,2.784684372,1.592444698,1.173956564,1.53083337,4.45E-13,2.61E-47,3.06E-103,7.15E-181,3.30E-280,0,0,0,0,0,0,0,0,0,0,1.722162424,4.747418556,1.736511283,8.49362291,2.241164061,3.103208795,2.486098291,3.642569731,1.803424895,1.542022011,2.430548721,0.969080954,0.496185143,0.3884523,0.273910142,7.96E-14,4.66E-48,5.48E-104,1.28E-181,5.91E-281,0,0,0,0,0,0,0,0,0,0,5.208571964,4.985467182,5.607096806,21.02520011,6.660480817,10.31636602,6.481566678,11.0370812,7.455955018,5.734532505,5.726795498,3.986394724,2.297206777,1.660319128,2.505748275,7.28E-13,4.27E-47,5.01E-103,1.17E-180,5.40E-280,0,0,0,0,0,0,0,0,0,0,2.384636231,3.782398704,2.369421375,9.037798896,2.648092105,4.08826445,3.381710932,4.58325567,2.377842649,2.193597684,3.185136179,1.44595673,0.774219805,0.597792222,0.502013661,1.46E-13,8.55E-48,1.00E-103,2.35E-181,1.08E-280,0,0,0,0,0,0,0,0,0,0,5.384201833,1.756302876,0.509811045,0.703788184,0.2295726,0.523560275,0.518297971,0.320056083,7.650315754,13.09659733,25.56783374,0.555682276,1.361914329,4.477368459,1.01061179,0.211747492,0.78554076,0.177308783,0.362571404,0.172748268,0.055819327,5.699727741,5.686947405,12.34480742,0.678311139,0.591139,4.799340808,1.275520723,0.317674203,0.750772621,0.199532826,0.416355674,0.274505767,0.125025191,6.392535734,8.051485451,16.38871422,0.626158932,0.815886632,5.357464391,1.73433548,0.501033826,0.705594855,0.22841742,0.518391753,0.505507237,0.30919977,7.592833697,12.8448722,25.09313212,0.558392282,1.33309876,4.957820471,1.405852638,0.369769159,0.736298059,0.208786618,0.444193525,0.333087679,0.169068414,6.733442268,9.323055039,18.6337754,0.604447088,0.946349619,5.469619519,1.826474168,0.537847795,0.698195095,0.233148814,0.540243903,0.560210276,0.355980273,7.833941481,13.91430666,27.12141148,0.547292643,1.456434452,5.370334282,1.736748875,0.500394414,0.705928375,0.228294971,0.52091244,0.507022724,0.308262593,7.60747757,12.88326673,25.15788398,0.558892563,1.336197757 +UMLRON0073,L,sec-butylbenzene,CCC(C)C1=CC=CC=C1,8680,,"Sandia, UML","[1], [14]",C10H14,PubChem,,100.7,0,-0.552,0.304704,24.6224,17.603516,0,0,18,6,12,0,5,0,1,0,0,0,0,0,0,0,989.481374,918.525433,1003.316377,934.258844,450.512373,80.809344,3.048192,0,0,2706.980219,3340.91352,4245.280188,4180.758316,2826.048557,982.4523969,93.25123329,0,0,131.675864,127.961068,226.768108,280.631936,284.28822,169.900416,20.155392,0,0,19.92305886,25.2786954,34.93808817,36.61778345,27.38151406,11.61010636,1.333838715,0,0,3038.434891,2530.053054,4960.191286,6428.552833,6768.210873,4407.028418,554.7529561,0,0,62.27777778,44,63.25,79.33333333,86,40,3,0,0,54.97118744,54.03090782,32.36504442,23.95535497,11.55159931,3.367056,1.016064,0,0,150.3877899,196.5243247,136.9445222,107.1989312,72.4627835,40.93551654,31.08374443,0,0,7.315325778,7.527121647,7.315100258,7.195690667,7.289441538,7.079184,6.718464,0,0,1.106836603,1.486982082,1.127035102,0.938917524,0.702090104,0.483754432,0.444612905,0,0,168.8019384,148.8266503,160.0061705,164.834688,173.5438685,183.6261841,184.917652,0,0,3.459876543,2.588235294,2.040322581,2.034188034,2.205128205,1.666666667,1,0,0,0.225457497,-0.103409787,-0.034193375,0.045593812,-0.032759205,-0.002442912,0.014482718,0,0,557.7912351,-66.11605249,-126.6202505,-82.79789952,-194.0616483,145.3220847,45.37814848,0,0,815.6252945,-79.2452518,-166.6805924,-305.0017385,-248.7965671,326.3349971,65.57650547,0,0,1.059967111,-0.095141383,-0.136576247,0.062409481,-0.300422963,-0.091328593,0.031076148,0,0,3.576219349,-0.265723223,-0.593319447,-1.81533496,-0.921828003,1.56239879,0.245697168,0,0,19.7674611,-1.32649563,-3.008159357,-10.62450125,-4.797903742,8.612081632,1.261247796,0,0,23.75308642,-3.492112483,-3.531550069,2.852880658,-6.085390947,-2.263374486,0.643004115,0,0,0.012525417,-0.006082929,-0.001103012,0.001169072,-8.40E-04,-1.02E-04,0.004827573,0,0,30.98840195,-3.889179558,-4.084524209,-2.123023065,-4.9759397,6.055086864,15.12604949,0,0,45.31251636,-4.6614854,-5.376793304,-7.820557398,-6.379399157,13.59729155,21.85883516,0,0,0.058887062,-0.005596552,-0.004405685,0.001600243,-0.007703153,-0.003805358,0.010358716,0,0,0.198678853,-0.015630778,-0.019139337,-0.04654705,-0.023636615,0.06509995,0.081899056,0,0,1.098192283,-0.078029155,-0.097037399,-0.272423109,-0.123023173,0.358836735,0.420415932,0,0,1.319615912,-0.205418381,-0.11392097,0.073150786,-0.156035665,-0.09430727,0.214334705,0,0,-0.485646814,-0.088061909,0.093335985,-0.067062011,-0.008126516,0.385422138,0,0,-0.12550436,-0.131808159,-0.068510247,-0.16057426,0.195398487,0.488119701,0,0,-0.102874123,-0.118660223,-0.172591549,-0.140786689,0.30007805,0.482401705,0,0,-0.095038736,-0.074815847,0.027174783,-0.130812315,-0.064621292,0.175908183,0,0,-0.078673586,-0.096333036,-0.234282862,-0.118968955,0.327664211,0.412218285,0,0,-0.071052361,-0.088361028,-0.248065037,-0.112023345,0.326752191,0.382825429,0,0,-0.155665281,-0.086328885,0.055433392,-0.118243243,-0.071465696,0.162422037,0,0,1.392431884,0.814188952,0.606755894,1.208326111,1.22322347,1.314412987,0,0,1.409452341,1.180958298,0.999029065,1.060226075,0.504943854,0,0,0,1.590373361,1.278605214,1.183707409,0.902749303,0.206461644,0,0,0,1.043987109,0.894935497,0.663607818,1.39244601,1.138463311,0,0,0,1.655711089,1.29519174,1.258320093,0.848847484,0.105101334,0,0,0,1.661705788,1.290419824,1.267833872,0.844902563,0.09796942,0,0,0,1.117983368,0.900392328,0.637194147,1.385514953,1.133186071,0,0,0,20.42144412,10.33572206,15.33447173,20.58811079,3.431351798,10.33580441,0.25,0.05377834,0.008963057,-1.753730694,40.79701439,6.799502398,2.225165341,20.42455101,10.33690829,15.33626064,20.59072806,3.43178801,10.33699053,0.249265579,0.053629002,0.008938167,-1.755399164,40.87913894,6.813189824,2.22637193,23.2019196,11.40146256,17.16348679,22.93592328,3.82265388,11.40148825,-0.398994478,0.091194792,0.015199132,-1.436854491,31.15610434,5.192684057,2.063406115,20.42781182,10.33815331,15.33813873,20.59347502,3.432245837,10.33823543,0.2484948,0.053472209,0.008912035,-1.757155933,40.96582575,6.827637625,2.227642921,26.18332907,12.55051741,19.59850408,25.46179957,4.243633261,12.55052528,-1.082294264,0.221825479,0.036970913,-0.903518602,22.86600661,3.811001101,1.877790828,20.7471864,10.46016029,15.52488159,20.86260919,3.477101532,10.46023167,0.173134186,0.037843982,0.00630733,-1.964569982,52.93489933,8.822483221,2.381437706,22.72545624,11.65439479,17.76876849,23.11434513,3.852390855,11.6544192,0.583333333,0.087958075,0.014659679,-1.458536997,29.48917229,4.914862049,2.030413893,0,11.99640057,15.99794223,-0.421324353,0.07210154,4.103494365,7.248503548,5,17,17,17,5,0,0,0,0,0,13.118484,3.471723689,2.834632539,2.5294604,1.82378712,1.424303836,0.921632112,0.083923071,0.083923071,1.866258151,1.467845174,1.209118027,0.847546296,0.438418931,0.34078572,0.083923071,0.083923071,3.478726552,2.832870999,2.490222729,1.866841115,1.331912292,1.027718587,0.270913902,0.270913902,1.816339236,1.388860976,1.162910992,0.730056194,0.396858421,0.192983939,0.270913902,0.270913902,3.617665031,3.074522638,2.814120617,2.243694996,1.88118357,1.548432746,0.943918427,0.943918427,1.624716425,1.083895585,0.778128918,0.28274838,0.202829277,0.381213777,0.943918427,0.943918427,3.494438301,2.860289454,2.505450713,1.919599497,1.339431966,1.103526305,0.399277246,0.399277246,1.785523447,1.342435559,1.128672282,0.652583071,0.351223883,0.086395,0.399277246,0.399277246,3.672344468,3.162049086,2.905770795,2.391676936,2.018877764,1.756960954,1.207644823,1.207644823,1.571462813,0.993498047,0.682740047,0.135392335,0.347202254,0.583465996,1.207644823,1.207644823,4.284953577,3.406284876,2.936877555,2.257240966,1.906659395,1.261551996,0.6,0.6,1.731582625,1.157449701,0.830182617,0.473801012,0.028700672,0.310746918,0.6,0.6,0,0,0,0,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.577350269,0.288675135,0,0.417774579,0.129099445,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.438777427,2.417181397,1.695994192,1.008597056,0.129099445,0,0,0,0.739796238,0.483436279,0.339198838,0.252149264,0.129099445,0,0,0,8.965765927,17.6576839,16.70196078,16.96,10.27156647,139.5813569,0.498098107,0.980982439,0.92788671,0.942222222,0.570642582,7.754519827,1.0248,26.5408,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,29,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.673888889,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0.673888889,0,0,0,0,0,0,0,0,0,0,0,0,0,1.526111111,0,0,0,0,0,0,0,0,0,0,0,4.098101852,0,1.409722222,0,0,0,0.490740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.673888889,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0.673888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,2.027777778,0,0.329861111,0,0,0,0.490740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.673888889,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0.673888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.070324074,0,1.079861111,0,0,0,0.490740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,2.388888889,0.673888889,8.334768519,0.24,0.329861111,2.658430926,1.170138889,2.334768519,4.865740741,1.170138889,2.334768519,4.865740741,2.83333,0.47222,0,0.02778,0.47593,0.82778,0.42,0.47593,0.75238,0.05593,0,-0.05593,0.0754,0.57047,0.14382,0,0.47059,0.17647,0,2.75,0.45833,2.75,0.45833,0,0,-2.75,-0.45833,0,0,4.94416,0.82403,5.73058,0.78641,0.13107,2.47948,0.41325,2.80805,0.32857,0.05476,0.10595,0.01766,0.10595,0.01766,0,5.01,1,1,1,1,1,1,1,1.134969975,1.94471679,3.086048612,3.419381946,3.187719446,2.261069445,20.42945954,35.00490222,55.54887502,61.54887502,57.37895002,40.69925001,0.272179949,0.46636733,0.74007293,0.820010419,0.764454863,0.542232641,3.034955027,2.225208211,1.083876389,0.750543056,0.982205556,1.908855556,0.27767102,0.475776017,0.755003466,0.836553647,0.77987729,0.553171866,10.25843817,16.9429018,19.31451736,19.65045903,16.87050903,8.297183763,21.93297423,15.25754858,13.84528056,13.26031806,11.87034306,7.468755558,6,3.2,3,6,0,4,1.9,0.8718,0.333333333,2.149139864,1.414213562,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,2.891,5,4,1,0,0,0,0,0,0,21,1.791759469,1.791759469,1.609437912,0.693147181,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,20.23,103.8266085,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,88.088815,4.893823056,10.6758508,1.779308466,2.363633046,2.363633046,0,31,4,1.148,20,1.216411765,2.109021302,2.856594138,3.436359309,4.006630398,4.960986366,0,0,0,0,77.15821427,76.95587386,76.27426937,47.31327196,16.08853946,5.040679651,0,0,0,0,263.9099389,311.6444121,323.2859168,263.6819024,173.9600493,154.2060323,0,0,0,0,9.180431628,15.49152274,20.63503194,25.21071558,28.79523554,33.3302083,0,0,0,0,1.941447524,2.511694225,2.772975027,2.481428848,1.969230812,2.205718559,0,0,0,0,178.6200885,333.7215899,468.1611717,593.5189241,734.9451584,917.3739505,0,0,0,0,3.206490196,4.434420925,6.017551921,8.029406999,7.468677151,4.960986366,0,0,0,0,0.425350094,0.558441024,0.635819942,0.609652265,0.503746827,0.508005004,0,0,0,0,331.4687864,196.6101078,15.02025734,154.5529168,-91.67278151,-20.67483587,176.9158696,288.2828893,35.69509321,0.682004084,0.404529482,0.030904499,0.317995916,-0.188618699,-0.042538915,161.1010241,95.55677945,7.300171053,75.11607185,-44.5549614,-10.04841894,0.353598743,0.666672116,9.738798943,23.03009678,423.9348903,62.08681292,0.872255061,0.127744939,346.0061755,18.60124124,7.020390718,470.5945044,21.69319028,7.778256915,546.6933284,23.38147404,8.176760136,1.520310739,1.191875336,292.5927814,251.4462291,70.78830304,1.163639568,4.13334928,3.552087255,3.516450868,3.220194404,5.518792456,0.713807231,3.782243497,4.176847,3.713842936,16.51783602,3.82524224,5.438922403,4.90382512,4.42848023,1.55293459,2.036328689,1.76E-10,3.08E-42,1.04E-95,6.80E-171,8.56E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337322539,4.3037216,0.321879012,4.596564695,0.574521621,0.197835109,0.439729822,0.194191792,0.137913826,0.216562637,1.96E-11,3.44E-43,1.16E-96,7.60E-172,9.57E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.969469194,4.067497395,0.791484781,5.810206695,0.777549611,0.761833824,0.99928795,0.73050349,0.175444477,0.381618839,3.40E-11,5.96E-43,2.02E-96,1.32E-171,1.66E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.793087398,4.303382321,3.98655898,15.73934036,3.485747676,4.947842486,5.207628179,4.084079479,1.425774686,2.51910812,2.21E-10,3.87E-42,1.31E-95,8.54E-171,1.07E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.361918399,3.977740142,1.038224502,6.930095158,1.053660818,1.299606291,1.309984805,1.188231935,0.278317277,0.387045622,3.37E-11,5.91E-43,2.00E-96,1.30E-171,1.64E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.748236975,4.257081772,5.007934802,21.29567464,5.326994214,7.481461153,6.698074678,5.957566792,2.240944991,2.973853707,2.56E-10,4.50E-42,1.52E-95,9.93E-171,1.25E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.48411676,4.540845075,4.551021925,11.46571093,2.089555018,2.647268175,5.979101788,2.153369902,0.938562642,4.208160782,3.79E-10,6.65E-42,2.25E-95,1.47E-170,1.85E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.705780101,1.203785571,0.57112542,0.603875618,0.268660692,0.514743588,0.462403348,0.47042555,4.480691092,5.49003138,11.83098022,0.405813427,1.447572485,2.822338094,0.63992194,0.168854467,0.777264967,0.176232928,0.56161486,0.12936823,0.038865691,3.631114501,2.39069414,6.326772652,0.665897451,0.729848781,2.497576933,0.910143285,0.339285625,0.666552719,0.242898816,0.438497838,0.263183461,0.163212644,3.747005843,3.429343359,7.947597297,0.499829079,0.864893943,2.788648375,1.168970833,0.553133273,0.618222433,0.259152068,0.546582281,0.435786282,0.439267722,4.51075248,5.448939477,11.76282269,0.42733365,1.421636285,2.429587745,1.025368957,0.416550757,0.627556003,0.264850053,0.41509989,0.33477441,0.248381728,3.87150746,3.930388683,8.839617325,0.441334004,0.998256028,2.759740596,1.232707678,0.596946414,0.601329976,0.268599186,0.535469195,0.485043939,0.514291315,4.589394688,5.785231102,12.40540969,0.401994964,1.534804449,2.791359157,1.172391567,0.554407801,0.617809035,0.259484381,0.547656059,0.438281808,0.44111612,4.518158525,5.47010026,11.80259487,0.426713552,1.427053987 +UMLRON0074,L,2-methyl-butanol,CCC(C)CO,8723,"Sandia values from co-optima database and source [11], co-optima database values are from measurements from nrel and pnnl I think maybe we should use these, need UMLs opinion ","Sandia, UML",[11],C5H12O,PubChem,,102,0,1.626,2.643876,49.2166,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2005.6539,1915.914515,1384.238191,884.899684,376.416601,90.93168,9.144576,4670.34144,5841.481647,7855.078337,8077.010367,6748.637992,4976.170055,2923.948418,1247.927098,279.7536999,169.463656,175.052008,300.821808,362.062604,340.215676,315.19912,229.716388,163.638144,60.466176,34.11358067,43.47862034,61.52167806,65.85463273,57.81937125,45.43908282,29.05727825,14.68429815,4.001516144,3856.790689,3411.659229,6369.569539,7964.771286,7515.331096,7325.718654,5471.847343,4247.253023,1664.258868,48.05555556,58.33333333,86.44444444,99,90.91666667,74,51,30,9,60.70275442,67.17251842,47.75366429,37.56695127,28.83829565,19.66443742,11.40656367,3.78882,1.016064,194.59756,243.3950686,187.0256747,158.3727523,140.5966248,110.5815568,88.60449753,51.99696242,31.08374443,7.060985667,7.293833667,7.162424,7.099266745,7.087826583,7.004424889,6.961102667,6.818256,6.718464,1.421399194,1.811609181,1.464801859,1.291267308,1.204570234,1.009757396,0.880523583,0.611845756,0.444612905,160.6996121,142.1524679,151.6564176,156.171986,156.5693978,162.7937479,165.8135559,176.9688759,184.917652,2.002314815,2.430555556,2.058201058,1.941176471,1.894097222,1.644444444,1.545454545,1.25,1,0.050038363,-0.002252934,-0.008460761,-0.009773565,-0.016699774,0.002214172,-0.00371096,0.008783889,0.004880752,706.2183858,-7.82E-14,15.13325113,-17.65545965,-363.198027,-184.121222,-194.2100561,201.7766817,189.1656391,1313.243245,2.42E-13,28.14092668,-32.83108113,-675.3822403,-342.3812746,-361.1418924,375.2123557,351.7615835,0.138343333,2.23E-15,0.0029645,-0.003458583,-0.071148,-0.036068083,-0.038044417,0.039526667,0.03705625,5.870808328,1.35E-14,0.125803036,-0.146770208,-3.019272855,-1.5306036,-1.61447229,1.677373808,1.572537945,31.89032402,-1.08E-13,0.683364086,-0.7972581,-16.40073807,-8.314263047,-8.769839104,9.111521147,8.542051076,4.49537037,-0.49537037,0.559027778,0.259837963,-2.939814815,-0.602430556,-0.924189815,0.810185185,1.085069444,0.002084932,-9.39E-05,-2.01E-04,-1.92E-04,-3.48E-04,4.92E-05,-1.12E-04,3.66E-04,5.42E-04,29.42576608,-3.26E-15,0.360315503,-0.346185483,-7.566625562,-4.091582712,-5.885153215,8.407361736,21.01840434,54.71846854,1.01E-14,0.670022064,-0.643746689,-14.07046334,-7.608472769,-10.94369371,15.63384816,39.08462039,0.005764306,9.31E-17,7.06E-05,-6.78E-05,-0.00148225,-8.02E-04,-0.001152861,0.001646944,0.004117361,0.244617014,5.62E-16,0.00299531,-0.002877847,-0.062901518,-0.034013413,-0.048923403,0.069890575,0.174726438,1.328763501,-4.51E-15,0.016270573,-0.015632512,-0.341682043,-0.184761401,-0.2657527,0.379646714,0.949116786,0.187307099,-0.020640432,0.013310185,0.005094862,-0.061246142,-0.013387346,-0.028005752,0.033757716,0.120563272,-0.04502414,-0.096620273,-0.091915969,-0.166869708,0.023599725,-0.053936218,0.175543092,0.260107178,-1.11E-16,0.012244898,-0.011764706,-0.257142857,-0.139047619,-0.2,0.285714286,0.714285714,1.84E-16,0.012244898,-0.011764706,-0.257142857,-0.139047619,-0.2,0.285714286,0.714285714,1.62E-14,0.012244898,-0.011764706,-0.257142857,-0.139047619,-0.2,0.285714286,0.714285714,2.30E-15,0.012244898,-0.011764706,-0.257142857,-0.139047619,-0.2,0.285714286,0.714285714,-3.40E-15,0.012244898,-0.011764706,-0.257142857,-0.139047619,-0.2,0.285714286,0.714285714,-0.110195675,0.071060762,0.027200582,-0.326982492,-0.071472709,-0.149517835,0.180226571,0.643666323,1.139392832,1.023219236,1.079622031,1.324478752,0.977165269,0.938699789,0.503922097,0,1.15,1.032653061,1.005042017,1.232142857,1.051428571,1.075324675,0.492857143,0,1.15,1.032653061,1.005042017,1.232142857,1.051428571,1.075324675,0.492857143,0,1.15,1.032653061,1.005042017,1.232142857,1.051428571,1.075324675,0.492857143,0,1.15,1.032653061,1.005042017,1.232142857,1.051428571,1.075324675,0.492857143,0,1.15,1.032653061,1.005042017,1.232142857,1.051428571,1.075324675,0.492857143,0,1.279093718,0.883183758,0.9697704,1.379763131,0.947476828,1.046531224,0.639546859,0,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,47.36437185,23.38781855,33.68508962,47.30659407,4.730659407,23.38781855,-0.144444444,6.66E-16,6.66E-17,-34.9450411,4000024.041,400002.4041,15.20181093,0,11.89,12.11015511,-0.156960901,0.065322989,5.558256921,8.602201025,10,24,21,18,4,3,0,0,0,6,15.304898,3.821183088,3.187113103,2.957533536,2.506369281,2.408211274,1.608166766,1.603815697,0.855384625,2.007909421,1.675744272,1.520534873,1.04643109,1.010726892,0.725289572,0.686200459,0.272911904,3.832097664,3.217440143,2.994645901,2.541662255,2.447240048,1.696371143,1.695911688,0.973504521,1.976346355,1.601606812,1.440288491,0.963826287,0.91873368,0.591872591,0.558041529,0.10921766,3.882355278,3.35720401,3.162504313,2.697422216,2.620868137,2.072934023,2.058906935,1.45869598,1.892905126,1.386096379,1.196424465,0.728858084,0.65602962,0.14231256,0.125717527,0.452912596,3.840248665,3.240168173,3.022324042,2.567654668,2.476088112,1.762386402,1.760155049,1.059190678,1.957167475,1.554472888,1.388319553,0.911937169,0.860798102,0.502182141,0.471893803,0.001531568,3.908441391,3.428107175,3.245229397,2.774427119,2.707013602,2.238774667,2.218589849,1.66925518,1.869232078,1.320941753,1.119531764,0.657740328,0.576511551,0.017971902,0.028624583,0.657723944,3.856962273,3.227465597,3.070421639,2.648201686,2.541007049,1.817141377,1.812182168,1.18306542,1.943525969,1.543335035,1.315869829,0.819226463,0.785926279,0.419263867,0.380800473,0.137962042,0,0,0,4,2,2,2,0,0,0,0,0,0.083333333,0.11785113,0,0,0,0.027777778,0.03928371,0.40824829,0,0,0,0.23570226,0,0,0,0.932625685,1.22850154,1.352305361,0.489636154,0.551917411,0.542579092,7.397341225,4.863703305,3.715153309,3.046112076,2.143889804,1.593412989,0.745812289,0.353553391,0.739734123,0.486370331,0.309596109,0.217579434,0.142925987,0.099588312,0.074581229,0.058925565,6.723614639,3.942687549,2.527057686,1.807889833,1.069490284,0.701020891,0.310875228,0.126679943,0.672361464,0.394268755,0.21058814,0.129134988,0.071299352,0.043813806,0.031087523,0.021113324,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.8114,45.198,43.09324379,59.79346001,86.18648758,8.618648758,43.09324379,3.89E-16,3.89E-17,-35.4840376,4000018.863,400001.8863,15.20180963,90,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,4,0,0,4,0,0,0,0,0,0,0,0,2,0,2,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.66148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.54125,0,1.290555556,0,0,1.54125,0,0,0,0,0,0,0,0,4.378518519,0,2.293333333,0,0,8.773796296,0,0,0,0,2.887685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.443842593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0.285972222,0,0,0.363194444,0,0,0,0,0,0,0,0,2.189259259,0,1.146666667,0,0,2.136574074,0,0,0,0,1.443842593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.277777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.39875,0,0.359305556,0,0,0.39875,0,0,0,0,0,0,0,0,2.189259259,0,1.146666667,0,0,2.277777778,0,0,0,0,1.443842593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.33333333,1.833333333,0.39875,2.277777778,0.134097222,1.146666667,6.197808796,0.353333333,0.277777778,2.30462963,0.353333333,0.277777778,2.30462963,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.67902,0.6679,11.50267,4.82364,0.48236,2.89931,0.28993,4.86369,1.96438,0.19644,0.05031,0.00503,0.13631,0.01363,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.284159128,2.938721876,3.272055209,3.355388542,3.272055209,23.51685016,54.81981907,70.52932501,78.52932501,80.52932501,78.52932501,0.213713581,0.498184909,0.640947854,0.713649285,0.731824642,0.713649285,3.605093744,2.300803373,1.646240625,1.312907292,1.229573959,1.312907292,0.206076118,0.480381319,0.618042356,0.688145662,0.705671489,0.688145662,6.772325919,16.88939319,20.29712166,21.54907792,21.63306334,20.63306334,37.92632204,28.0806892,23.07894792,21.0427323,20.82731875,22.1198,8.1,4,2.285714286,2,6,2,2.56,1.28,0.166666667,3.861957538,1.414213562,0,6.603502479,7.412576046,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.894,12,14,15,16,10,6,1,0,0,94,2.63905733,3.113515309,3.590439381,4.027581346,4.440442938,4.07647756,3.725693427,1.802122256,0,0,5.77823265,3.427526596,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,0,3,6,1,2,0.666666667,0.5,0.382222222,0.180555556,0,0,0,0,0,0.2,0.055555556,0.045454545,0.054603175,0.045138889,0,0,0,0,0,0.400752165,25.06409266,36.35559528,50.12818532,5.012818532,25.06409266,2.22E-16,2.22E-17,-36.04365339,4000019.454,400001.9454,15.20180978,0,150.3504702,4.321928095,3.80666249,4.574710979,5.370638028,6.159095388,6.961296046,7.75319427,8.556606194,9.349145335,10.15280554,82.68415427,3.044522438,0,4.234106505,0,5.65248918,0,7.164720379,0,8.719480761,8.961237781,134.1095504,5.587897935,19.5689129,1.95689129,0,0,0,121,11,3.794,44,1.235929323,2.155957118,2.971810538,3.799774681,4.618309803,5.696812287,6.512070774,7.548772374,0,0,92.76161773,112.7646566,120.94984,123.0965996,101.9539536,70.6051698,26.61560324,7.670035854,0,0,323.5789178,429.7682809,497.4731145,571.7486397,549.0176111,522.5150598,353.2592955,234.6441113,0,0,9.045833162,15.4961248,21.15940378,27.01274811,32.46168676,39.70313665,44.47087797,50.71615544,0,0,2.362509317,3.315612513,4.00180521,4.802717414,4.917068935,5.129669507,4.101542969,3.356281613,0,0,173.7497847,323.1510935,459.6605685,589.1970381,743.3130033,941.1254289,1146.865086,1395.901263,0,0,3.093648486,4.590750711,5.92606654,7.380086239,7.828746841,8.918068011,8.315233634,7.548772374,0,0,0.486472119,0.690464497,0.840120244,1.015173092,1.051432538,1.112904854,0.914951257,0.772994291,0,0,306.9655418,157.1849429,10.9210592,89.66010531,-45.91140246,-5.034427789,217.3054365,203.0963453,15.95548699,0.773942744,0.396305544,0.027534929,0.226057256,-0.115755002,-0.012693147,121.7504066,62.34357968,4.331572174,35.56149729,-18.20963971,-1.99678318,0.121664159,0.119644362,2.190848765,1.147609419,396.6256471,0,1,0,729.0594248,27.00110044,9.00024454,865.5271791,29.41984329,9.530014688,1262.242732,35.52805556,10.80722748,1.534866669,1.534866669,740.737183,627.0928508,176.9721251,1.181224092,4.185615009,3.543455504,4.513777929,4.389329297,8.621033032,0.964088919,4.231360714,4.769035699,3.691802671,11.73008266,8.033630783,6.022030283,7.139713855,7.076058136,6.232359651,7.420134298,4.31923933,2.475466921,0.572471613,1.256133305,0.09857933,0.231164319,5.79E-07,2.80E-34,2.61E-83,4.69E-154,1.63E-246,0,0,0,0,0,0,0,0,0,0.355218392,4.768829469,0.279487503,5.583306477,1.860630198,1.763495673,0.5127027,1.547034419,2.310853052,0.342339141,0.260577683,0.069356756,0.24008568,0.010072389,0.001034192,0.001628109,4.08E-09,1.97E-36,1.84E-85,3.31E-156,1.15E-248,0,0,0,0,0,0,0,0,0,1.146421676,4.768843705,0.92157037,6.32935028,2.481358468,2.42232696,1.629711524,2.465107818,3.073723379,1.28967198,0.812930845,0.315081644,0.263699797,0.095341212,0.008108408,0.016966153,4.25E-08,2.06E-35,1.92E-84,3.45E-155,1.20E-247,0,0,0,0,0,0,0,0,0,3.994066058,4.769013218,3.463642908,11.17383993,7.429556437,5.68688395,6.650628205,6.663100895,5.978988749,6.810874506,3.973093742,2.241347416,0.536475036,1.120035879,0.088066443,0.205963247,5.16E-07,2.49E-34,2.33E-83,4.18E-154,1.45E-246,0,0,0,0,0,0,0,0,0,1.689557927,4.76886175,1.378505503,6.992512973,3.097294157,2.937073943,2.466488886,3.157843641,3.608572015,2.087673457,1.274085623,0.556632422,0.293043823,0.204078574,0.016776155,0.036852752,9.23E-08,4.46E-35,4.16E-84,7.48E-155,2.60E-247,0,0,0,0,0,0,0,0,0,5.109956015,4.769130128,4.558444174,13.99390914,10.5270426,7.347449482,9.045255025,8.689612983,7.185578161,9.875740992,5.711765798,3.440882709,0.723518033,1.827955654,0.142660062,0.337131435,8.45E-07,4.08E-34,3.81E-83,6.85E-154,2.37E-246,0,0,0,0,0,0,0,0,0,2.35192853,4.134393285,1.813620252,7.568372385,4.382097001,3.970114796,3.620928264,3.975932942,4.047202973,2.971887517,1.929546242,0.937228758,0.383568744,0.378467598,0.03064474,0.068776161,1.72E-07,8.33E-35,7.77E-84,1.40E-154,4.84E-247,0,0,0,0,0,0,0,0,0,6.463346586,1.704480258,0.559525116,0.740585073,0.195303256,0.573888824,0.371788391,0.366078081,8.72735196,15.58675092,30.47819337,0.610877609,1.311755296,4.439578269,1.103844243,0.236057223,0.768162269,0.190993704,0.271925271,0.155939378,0.065905561,5.779479735,6.209167838,13.14547029,0.652243404,0.49377021,5.158040446,1.317180164,0.351281576,0.755590536,0.192950962,0.366333762,0.222033602,0.145536744,6.826502185,9.068694259,18.28182755,0.633385804,0.733904108,6.40367332,1.68678032,0.550027203,0.741124648,0.195218339,0.563386178,0.364107445,0.353903885,8.640480843,15.25155972,29.83320897,0.611686971,1.281397509,5.511728572,1.42215406,0.407822608,0.750742286,0.193708956,0.417981733,0.258831176,0.1957457,7.341705239,10.66632126,21.20475509,0.626113428,0.872558608,6.653981872,1.761022426,0.589856381,0.73893224,0.195563539,0.608092175,0.396862152,0.406297403,9.004860679,16.68145528,32.59814172,0.60839836,1.41125173,6.402860356,1.689894174,0.549391401,0.740887785,0.195541037,0.563143253,0.365453099,0.352753126,8.642145931,15.26624616,29.85289298,0.611331677,1.281349478 +UMLRON0075,L,m-diethylbenzene,CCC1=CC(=CC=C1)CC,8864,Sandia values from independent API report ,Sandia,,C10H14,PubChem,,103,0,0.691,0.477481,22.1338,14.134344,0,0,13,5,8,0,5,0,0,0,0,0,0,0,0,0,729.449117,818.177309,918.082205,206.92224,12.192768,0,0,0,0,2366.254464,3035.47744,4046.621604,2239.87454,373.0049332,0,0,0,0,91.450292,94.643636,171.740084,201.222144,80.621568,0,0,0,0,17.50140324,22.85285448,33.09504767,23.59667672,5.335354858,0,0,0,0,2113.312997,1858.952162,3638.6855,4853.89024,2219.011824,0,0,0,0,22.75,27.5,44.25,41,12,0,0,0,0,56.11147054,62.93671608,38.25342521,7.135249655,1.016064,0,0,0,0,182.0195742,233.4982646,168.6092335,77.23705309,31.08374443,0,0,0,0,7.034637846,7.280279692,7.155836833,6.938694621,6.718464,0,0,0,0,1.346261788,1.757911883,1.37896032,0.813678508,0.444612905,0,0,0,0,162.5625382,142.9963202,151.6118958,167.3755255,184.917652,0,0,0,0,1.75,2.115384615,1.84375,1.413793103,1,0,0,0,0,0.031695836,2.29E-04,-0.016160245,-0.016864274,0.016947218,0,0,0,0,372.5107969,2.13E-14,-175.5098947,-225.6555789,214.9100751,0,0,0,0,692.6997337,2.42E-13,-326.3681437,-419.6161848,399.6344617,0,0,0,0,0.072972308,5.43E-16,-0.034381183,-0.044204379,0.042099408,0,0,0,0,3.096690107,-1.17E-15,-1.459017454,-1.875879584,1.786551985,0,0,0,0,16.82126981,3.15E-14,-7.925405968,-10.18980767,9.704578737,0,0,0,0,1.807692308,0.211538462,-0.856508876,-1.128698225,0.869822485,0,0,0,0,0.002438141,1.76E-05,-6.73E-04,-5.82E-04,0.001412268,0,0,0,0,28.65467669,1.64E-15,-7.312912279,-7.781226859,17.90917293,0,0,0,0,53.2845949,1.86E-14,-13.59867266,-14.46952361,33.30287181,0,0,0,0,0.005613254,4.18E-17,-0.001432549,-0.001524289,0.003508284,0,0,0,0,0.238206931,-8.97E-17,-0.060792394,-0.064685503,0.148879332,0,0,0,0,1.293943832,2.43E-15,-0.330225249,-0.351372678,0.808714895,0,0,0,0,0.139053254,0.016272189,-0.03568787,-0.038920628,0.072485207,0,0,0,0,0.007237003,-0.276170852,-0.238512299,0.579239673,0,0,0,0,5.72E-17,-0.255208333,-0.271551724,0.625,0,0,0,0,3.49E-16,-0.255208333,-0.271551724,0.625,0,0,0,0,7.44E-15,-0.255208333,-0.271551724,0.625,0,0,0,0,-3.76E-16,-0.255208333,-0.271551724,0.625,0,0,0,0,1.87E-15,-0.255208333,-0.271551724,0.625,0,0,0,0,0.117021277,-0.256648936,-0.279897285,0.521276596,0,0,0,0,1.102152261,1.285721545,1.090524023,0.099125573,0,0,0,0,1.2,1.3,1.075862069,0,0,0,0,0,1.2,1.3,1.075862069,0,0,0,0,0,1.2,1.3,1.075862069,0,0,0,0,0,1.2,1.3,1.075862069,0,0,0,0,0,1.2,1.3,1.075862069,0,0,0,0,0,1.021276596,1.313829787,1.144534116,0,0,0,0,0,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,11.83033946,5.865169728,8.879772264,11.77033946,2.354067891,5.873442411,-0.1,0.177576857,0.035515371,-0.864175883,31.27150805,6.254301611,1.721353699,0,11.9,12.10006119,-0.164711685,0.042369812,6.16983725,6.412469435,5,13,12,12,4,1,1,0,0,1,8.745656,3.620859225,2.457043703,2.327176487,1.172599198,0.757912782,0.083923071,0.083923071,0.083923071,1.68994998,1.654416234,0.677040456,0.635465568,0.259103803,0.083923071,0.083923071,0.083923071,3.64248339,2.497756349,2.379581864,1.290331218,0.892820568,0.270913902,0.270913902,0.270913902,1.621062059,1.600960531,0.54382766,0.490847486,0.091706145,0.270913902,0.270913902,0.270913902,3.738694411,2.681331202,2.611518213,1.756775348,1.420292581,0.943918427,0.943918427,0.943918427,1.450772367,1.416054141,0.107415136,0.007199954,0.492421976,0.943918427,0.943918427,0.943918427,3.658471199,2.528052663,2.41837923,1.374324936,0.988683955,0.399277246,0.399277246,0.399277246,1.576960957,1.567535916,0.45518634,0.393916432,0.022073891,0.399277246,0.399277246,0.399277246,3.78628053,2.772175182,2.723231627,1.955311318,1.641104289,1.207644823,1.207644823,1.207644823,1.406175444,1.351583295,0.042915611,0.163649465,0.711314831,1.207644823,1.207644823,1.207644823,3.703950215,2.599250803,2.434751473,1.477157836,1.168651885,0.588235294,0.588235294,0.588235294,1.590512755,1.45905695,0.323265853,0.27704188,0.207291696,0.588235294,0.588235294,0.588235294,0,0,0,2,0,0,3,0,0,0,0,0.176776695,0,0,0,0,0.11785113,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.535533906,2.5,1.767766953,1.25,0.883883476,0,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0,0,0,3.276020882,2.149829914,1.402308181,0.90824829,0.589255651,0,0,0,0.655204176,0.429965983,0.280461636,0.181649658,0.11785113,0,0,0,7.167311215,12.55134741,11.90196078,12.04,8.194217964,98.85571497,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,1.65269,22.721,14,18.61803399,28,5.6,14.000001,1.11E-16,2.22E-17,-18.36840028,19.22543377,3.845086753,1.478117039,20,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,2,0,2,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.663888889,0,0,0.836111111,0.580555556,0,0.663888889,0,0,0,0,0,0,0,0,0,0,4.027777778,0,4.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331944444,0,0,0.255555556,0.290277778,0,0.331944444,0,0,0,0,0,0,0,0,0,0,1.319444444,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331944444,0,0,0.290277778,0.290277778,0,0.331944444,0,0,0,0,0,0,0,0,0,0,1.388888889,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.5,1.7,0.331944444,2.236111111,0.255555556,1.319444444,3.193611111,0.180555556,0.236111111,0.944444444,0.180555556,0.236111111,0.944444444,2.5,0.5,0,0,0.45385,0.7,0.43333,0.43333,0.7,0.02051,0.02051,0,0,0.71429,0,0,0,0,0,3.5,0.7,2.5,0.5,1,0.2,-1.5,-0.3,0,0,2.91421,0.58284,3.75,0.83579,0.16716,1.95711,0.39142,2.5,0.54289,0.10858,-0.086,-0.0172,0,0,0.384615385,5,0,0,0,0,0,0,0.6,0.961236605,2.045841641,2.469670487,2.469670487,2.469670487,2.469670487,12.49607586,26.59594133,32.10571634,32.10571634,32.10571634,32.10571634,0.259762806,0.552864469,0.667399195,0.667399195,0.667399195,0.667399195,2.739203113,1.654598077,1.230769231,1.230769231,1.230769231,1.230769231,0.252468347,0.537339356,0.648657805,0.648657805,0.648657805,0.648657805,6.796774065,14.32421229,14.75135761,14.75135761,14.75135761,14.75135761,19.35422196,15.59866796,15.43340754,15.43340754,15.43340754,15.43340754,3.2,1.44,0.64,0,2,0,2.01,0.6615,0,0,0,0,7.071067812,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.093,0.088,0.377,0.384,2.565,5,5,5,0,0,0,0,0,0,25,1.945910149,2.079441542,2.197224577,2.302585093,0,0,0,0,0,0,3.583518938,1.4,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,8.618033989,12,2.4,6.006204681,0,0,0,13.96759521,2.793519041,1.318370009,0,80.04346443,3.321928095,3.044522438,3.713572067,4.394449155,5.081404365,5.771441123,6.463029457,7.155396302,7.848153086,8.541105011,62.013073,2.397895273,0,3.433987204,2.397895273,4.615120517,4.262679877,5.860786223,5.888877958,7.147559271,7.6989362,68.06260026,5.235584635,9.6875,1.9375,0,0,0,15,0,2.329,20,1.307421772,2.338722016,3.174417217,4.228503302,0,0,0,0,0,0,98.3406332,97.29960195,24.08891716,4.296429979,0,0,0,0,0,0,342.7945308,416.3991437,256.033555,131.437716,0,0,0,0,0,0,9.569772486,16.78427923,22.07808923,28.40904721,0,0,0,0,0,0,2.501871769,3.358755992,2.669724635,1.880047136,0,0,0,0,0,0,183.7578818,351.0896017,527.1954892,781.9249021,0,0,0,0,0,0,2.861522469,4.380867935,4.569784245,4.228503302,0,0,0,0,0,0,0.515132439,0.704522243,0.583901927,0.432998738,0,0,0,0,0,0,273.8488355,79.68637153,9.618153015,190.9562117,-55.56571968,-9.87138648,82.89262386,135.2520912,19.48953949,0.589169238,0.171440418,0.020692876,0.410830762,-0.119546292,-0.021237692,127.2863209,37.03862768,4.470566066,88.75741097,-25.82722696,-4.588270259,0.195526966,0.302151885,5.718254113,11.65928446,464.8050472,0,1,0,293.7345153,17.13868476,6.647397669,371.6554286,19.27836685,7.189745101,402.18915,20.05465407,7.381480046,1.151022885,1.012539233,151.2400741,84.78170838,76.46624545,1.783876227,1.977867139,1.108746845,3.028578014,3.430406433,4.581102973,0.335440294,2.394536895,1.716704967,5.562929419,7.8741723,3.60744996,7.595450386,5.385121388,2.949763906,3.20E-08,2.25E-37,3.71E-88,1.22E-160,7.79E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.200971372,1.716578428,1.666144685,0.803103081,0.269415205,0.531285181,0.056167488,0.020775428,2.26E-10,1.58E-39,2.61E-90,8.59E-163,5.49E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.64872486,1.71658715,2.446919965,1.601561867,0.851052844,1.784997494,0.442098598,0.216495982,2.35E-09,1.65E-38,2.72E-89,8.96E-162,5.72E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.260248386,1.716691169,5.319191351,7.213143246,3.36781796,7.096396156,4.810605277,2.628186534,2.85E-08,2.00E-37,3.30E-88,1.09E-160,6.94E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.956093593,1.716598217,2.9872451,2.341162119,1.279939687,2.701522385,0.915413683,0.470258202,5.11E-09,3.58E-38,5.91E-89,1.95E-161,1.24E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.891746802,1.716762928,6.471262938,10.5807049,4.534757075,9.518832765,7.794200805,4.301953433,4.67E-08,3.28E-37,5.41E-88,1.78E-160,1.14E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.367613753,1.802875767,3.925140017,3.527280786,2.252042725,4.30231823,1.9044102,1.020679552,1.11E-08,7.78E-38,1.28E-88,4.22E-161,2.70E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.815087021,1.764702996,0.381422245,0.458215036,0.445495692,0.459690922,0.574946159,0.460235192,3.961212262,4.568501049,9.751442901,0.355566092,1.494872273,1.179457438,1.049852074,0.07347322,0.512187894,0.455905831,0.19186788,0.201457431,0.017079103,2.302782732,1.402050385,3.795811761,0.452140587,0.410404414,1.414635865,1.314666435,0.187486239,0.484997745,0.450723944,0.276172504,0.316153337,0.111206184,2.916788539,2.371480913,5.636951538,0.403582535,0.703532025,1.797470513,1.744962214,0.372903696,0.459084564,0.445673635,0.450165316,0.561526116,0.439908159,3.915336424,4.457504385,9.542460012,0.357137297,1.451599591,1.5264102,1.440448135,0.241655959,0.475737385,0.448945525,0.321815471,0.379873121,0.184747357,3.208514294,2.915673721,6.655520529,0.387024366,0.886435949,1.870963793,1.827238939,0.408423788,0.455596287,0.444948897,0.491514656,0.61938656,0.527700138,4.106626519,4.929131862,10.43203592,0.350817775,1.638601354,1.800889577,1.744139754,0.37362662,0.459568178,0.445086217,0.451196602,0.5603276,0.441611128,3.91865595,4.465520428,9.55773875,0.356981594,1.453135329 +UMLRON0076,L,cyclopentene,C1CC=CC1,8882,,"Sandia, UML",[1],C5H8,PubChem,,93.3,0,-0.9949,0.98982601,19.7783,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,1082.455342,1224.686158,755.170631,145.367712,8.128512,0,0,0,2644.81273,3446.892775,4618.785718,3810.943601,1579.260103,248.6699554,0,0,0,118.238936,121.406152,235.588936,284.377124,183.378816,53.747712,0,0,0,19.03383305,24.9697231,36.01312543,33.98672738,17.09169693,3.556903239,0,0,0,2668.599586,2345.089558,4929.150212,6556.312343,4554.031367,1479.341216,0,0,0,33.5,34.5,62.5,63.75,35,8,0,0,0,61.71557788,67.65345887,39.5060051,19.36334951,5.591065846,1.016064,0,0,0,165.3007956,215.4307984,148.9930877,97.71650259,60.7407732,31.08374443,0,0,0,7.3899335,7.5878845,7.599643097,7.291721128,7.053031385,6.718464,0,0,0,1.189614566,1.560607694,1.161713723,0.871454548,0.657372959,0.444612905,0,0,0,166.7874742,146.5680974,159.0048455,168.1105729,175.1550526,184.917652,0,0,0,2.09375,2.15625,2.016129032,1.634615385,1.346153846,1,0,0,0,0.17088783,-0.031153572,-0.066109633,-0.007703318,0.006514051,0.013008557,0,0,0,523.7576238,26.4309685,-237.6289289,-185.2531665,-18.57893609,153.1512511,0,0,0,766.4429154,-57.19330087,-307.9200666,-231.2757751,-8.153021144,221.320706,0,0,0,1.03666,0.035866,-0.35967425,-0.25600825,-0.0433955,0.104882,0,0,0,3.391946473,-0.591328798,-1.148558163,-0.809363516,0.024049298,0.829227942,0,0,0,18.82152525,-3.792909478,-5.987636718,-4.105484193,0.218556451,4.256711311,0,0,0,5.9375,0.375,-2.22265625,-1.62890625,-0.2734375,0.78125,0,0,0,0.010680489,-0.001947098,-0.002132569,-1.98E-04,2.51E-04,0.00162607,0,0,0,32.73485148,1.651935531,-7.665449319,-4.750081193,-0.714574465,19.14390639,0,0,0,47.90268221,-3.574581304,-9.932905374,-5.930148078,-0.313577736,27.66508825,0,0,0,0.06479125,0.002241625,-0.011602395,-0.006564314,-0.001669058,0.01311025,0,0,0,0.211996655,-0.03695805,-0.037050263,-0.020752911,9.25E-04,0.103653493,0,0,0,1.176345328,-0.237056842,-0.193149572,-0.105268825,0.008406017,0.532088914,0,0,0,0.37109375,0.0234375,-0.071698589,-0.041766827,-0.010516827,0.09765625,0,0,0,-0.182304217,-0.199669578,-0.018493627,0.023457768,0.152246732,0,0,0,0.050464122,-0.234167836,-0.145107767,-0.021829165,0.584817267,0,0,0,-0.074621736,-0.207355933,-0.123795742,-0.006546142,0.577526914,0,0,0,0.03459765,-0.179073488,-0.101314824,-0.025760542,0.202345996,0,0,0,-0.174333175,-0.174768151,-0.097892633,0.004363149,0.488939285,0,0,0,-0.201519772,-0.164194618,-0.08948803,0.007145876,0.452323736,0,0,0,0.063157895,-0.193208829,-0.112550607,-0.028340081,0.263157895,0,0,0,1.107520365,1.552120506,0.966057203,0.623972776,0.03305192,0,0,0,1.111978186,1.324694594,1.047122857,0.780962508,0,0,0,0,1.418997242,1.264132086,0.996179446,0.740651964,0,0,0,0,0.852838684,1.526247757,1.060227446,0.680462699,0,0,0,0,1.599066754,1.261248431,0.959815144,0.687824614,0,0,0,0,1.638427349,1.267296133,0.950539389,0.67030562,0,0,0,0,0.828947368,1.507640068,1.068825911,0.704453441,0,0,0,0,17.61143424,8.46605325,12.36315014,17.61143424,2.935239039,8.466879986,0.25,0.057814983,0.009635831,-1.710304386,15.76640885,2.627734809,1.654728993,17.61223995,8.467597665,12.36481191,17.61223995,2.935373325,8.46842272,0.249265579,0.057640123,0.009606687,-1.712121828,15.76828788,2.628047981,1.654800496,20.16164663,9.881326074,14.3197314,19.89565031,3.315941718,9.88147755,-0.398994478,5.77E-15,9.62E-16,-19.67133411,4000004.039,666667.3399,9.121083557,17.61308772,8.4692187,12.36655725,17.61308772,2.93551462,8.470041995,0.2484948,0.057456626,0.009576104,-1.714034964,15.77026544,2.628377573,1.65487574,23.98983354,11.45376964,17.08052936,23.26830403,3.878050671,11.45379992,-1.082294264,0.173264547,0.028877425,-1.051761407,33.04315228,5.507192047,2.098688611,17.70666325,8.628502819,12.54370929,17.70666325,2.951110541,8.62917195,0.173134186,0.03963594,0.00660599,-1.936811393,15.99158118,2.66526353,1.663237445,17.4518693,7.806268015,11.74686957,17.4518693,2.908644883,7.808333911,0.571428571,0.13524116,0.022540193,-1.200417433,15.36921108,2.56153518,1.639419737,0,11.9,15.99491589,-0.38063332,0.115952541,5.379741846,6.357017277,6,16,16,16,6,0,0,0,0,0,12.84807,3.54183204,2.750129472,2.638600808,1.456797487,1.276760675,0.703855583,0.083923071,0.083923071,1.885671916,1.372874417,1.142970565,0.666206401,0.54860844,0.083923071,0.083923071,0.083923071,3.51478589,2.792995694,2.544949708,1.556142907,1.342345072,0.497687803,0.270913902,0.270913902,1.858049396,1.285229005,1.112288376,0.522081792,0.401889891,0.270913902,0.270913902,0.270913902,3.676390744,2.981537655,2.833908695,1.9628467,1.808486578,1.135105268,0.943918427,0.943918427,1.654331719,1.018928274,0.764578757,0.037619229,0.127437254,0.943918427,0.943918427,0.943918427,3.52143931,2.824624264,2.538218861,1.62787375,1.414363535,0.439979556,0.399277246,0.399277246,1.840606975,1.228596505,1.091681639,0.425347018,0.303641391,0.399277246,0.399277246,0.399277246,3.720804588,3.072480534,2.895577156,2.141548494,1.995771008,1.208515408,1.207644823,1.207644823,1.6073773,0.933903671,0.695082274,0.135164289,0.314111956,1.207644823,1.207644823,1.207644823,3.803282081,3.013283373,2.896805253,1.786299648,1.715669512,1.348688893,0.666666667,0.666666667,1.68623216,1.119632981,0.788530327,0.230138587,0.07282804,0.666666667,0.666666667,0.666666667,0,0,0,0,0,2,3,0,0,0,0,0,0.125,0,0,0,0,0.072168784,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,3.943782196,2.577350269,1.673032607,1.077350269,0.687087058,0.433012702,0,0,0.657297033,0.429558378,0.278838768,0.179558378,0.11451451,0.072168784,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,1.1869,24.67,21,27,42,7,21,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,36,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.069444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.784722222,0,0,0,0,0,0,0,0,0,0,0,0,0,5.930555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.069444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.069444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.069444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.069444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,1.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.069444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.45,5.069444444,0.215277778,1,2.858527778,0.5,1.569444444,3.138888889,0.5,1.569444444,3.138888889,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.43333,0.49792,0.82778,0.06458,0,-0.06458,0,0.57047,0.14382,0,0,0,0,3.5,0.58333,3.5,0.58333,0,0,-3.5,-0.58333,0,0,4.13051,0.68842,5,0.86949,0.14492,2.49071,0.41512,3,0.50929,0.08488,-0.086,-0.01433,0,0,0.375,6.01,1,1,1,1,0,0,1,1.198192411,1.501614472,2.280639062,2.625,2.625,2.625,19.17107858,24.02583155,36.490225,42,42,42,0.299548103,0.375403618,0.570159766,0.65625,0.65625,0.65625,2.801807589,2.498385528,1.719360938,1.375,1.375,1.375,0.299548103,0.375403618,0.570159766,0.65625,0.65625,0.65625,10.71860945,14.35967418,17.0374325,17.38448807,17.38448807,17.38448807,21.96987352,18.88870097,17.68383437,17.25,17.25,17.25,4.166666667,2.222222222,1.333333333,0,0,0,1.9,0.7632,0,0,0,0,6.083643419,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.402,0.394,0.462,0.261,2.984,6,6,6,6,0,0,0,0,0,36,1.945910149,1.945910149,1.945910149,1.945910149,1.945910149,0,0,0,0,0,3.610917913,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,13,18,3,9.000420062,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,9.23,91.47014983,3.584962501,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,65.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921172722,86.07316494,5.379572809,11.8125,1.96875,2.9375,2.9375,0,27,3,0.884,24,1.285881189,2.222301452,3.001590843,3.842409729,4.381453488,0,0,0,0,0,102.7072829,100.5482493,60.64032659,21.07017027,4.451837157,0,0,0,0,0,306.768031,358.9799367,306.6147308,230.1583811,136.1919805,0,0,0,0,0,9.877419892,16.99053339,22.03000666,27.0898924,29.43663753,0,0,0,0,0,2.144404341,2.730191076,2.708739411,2.499455625,1.948050763,0,0,0,0,0,186.4188033,349.4930778,500.3474224,674.2827223,810.2080914,0,0,0,0,0,2.94348833,4.632666748,5.058595882,5.157248405,4.381453488,0,0,0,0,0,0.48323981,0.634376233,0.630423103,0.581128369,0.448660837,0,0,0,0,0,257.2964383,125.6753519,10.41013292,34.45388754,-16.82885496,-9.814700279,222.8425508,142.5042069,20.2248332,0.881906259,0.430763364,0.03568165,0.118093741,-0.057682386,-0.033640752,75.06631973,36.66582488,3.037159673,10.05193292,-4.909823917,-2.863442005,0.115297002,0.779249491,2.609269783,19.37373889,266.888277,24.86204884,0.914783133,0.085216867,403.8060986,20.09492718,7.391358909,500.6764594,22.37580075,7.940583021,594.3903508,24.38012204,8.407958966,1.221830792,1.021006725,222.0410466,136.5562369,111.2799956,1.626004434,1.995336586,1.227140926,3.309123658,3.781095539,4.928936118,0.303573546,2.78900665,2.230353339,9.808444068,9.694235037,6.509657768,7.376584608,4.96647318,0.779925423,0.628476692,6.87E-15,1.51E-50,6.39E-108,5.22E-187,8.23E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234063024,2.815116404,0.769077964,2.91295698,2.527246893,0.461921917,0.277848522,0.005493187,0.004426413,4.84E-17,1.06E-52,4.50E-110,3.68E-189,5.80E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.755581488,1.727685788,2.260353316,3.857525779,2.935550459,1.544102852,0.902964779,0.057242393,0.046126633,5.04E-16,1.11E-51,4.69E-109,3.83E-188,6.04E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.632594832,2.812897129,9.370018603,9.335585244,6.557528189,6.954228353,4.760571334,0.694899586,0.559961418,6.12E-15,1.34E-50,5.69E-108,4.65E-187,7.33E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.113587564,1.314453509,3.328247978,4.647398683,3.253844833,2.35497342,1.380302164,0.124337859,0.100193212,1.10E-15,2.41E-51,1.02E-108,8.32E-188,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368129211,2.59934954,12.52482864,11.70832251,8.073286699,9.537664127,6.648463736,1.137447576,0.91657419,1.00E-14,2.20E-50,9.32E-108,7.62E-187,1.20E-287,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.859338139,4.579323223,6.724176694,7.438549204,5.86018973,4.738169154,3.373769304,0.346633836,0.279322974,3.05E-15,6.71E-51,2.84E-108,2.32E-187,3.66E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.147446555,1.561672568,0.541545581,0.505202528,0.367394908,0.599794019,0.659985586,0.516806677,4.250664703,5.362265444,11.42906194,0.308896154,1.776586282,1.505237273,1.152077549,0.157473344,0.53476041,0.409294583,0.322021393,0.216660912,0.034005804,2.814788166,2.152606318,5.240476893,0.41608249,0.572688109,1.722262251,1.314339179,0.306810018,0.51512124,0.393113202,0.371519456,0.430094783,0.156623995,3.343411448,3.195296492,7.233214373,0.362351663,0.958238234,2.093655119,1.568037666,0.529208324,0.499571587,0.374152867,0.559846467,0.643578977,0.485581587,4.19090111,5.22072839,11.14898343,0.310586682,1.689007032,1.88248207,1.358426774,0.375248118,0.520575321,0.375654815,0.461123816,0.498468282,0.245802482,3.616156962,3.77335899,8.34910571,0.344345203,1.20539458,2.192180044,1.599345272,0.571125213,0.502488116,0.366599447,0.624296943,0.6911984,0.575131455,4.362650529,5.671488493,12.03653417,0.303631344,1.890626798,2.115206595,1.562882116,0.533162175,0.502275132,0.371120638,0.576484928,0.650450914,0.497058252,4.211250887,5.266836338,11.24062464,0.310093655,1.723994093 +UMLRON0077,L,tetrahydropyran,C1CCOCC1,8894,,UML,[1],C5H10O,PubChem,,52.2,0,-1.3374,1.78863876,26.3554,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1047.281597,871.862212,675.105483,478.348754,281.592025,84.835296,9.144576,3461.958223,4376.887272,5442.657723,5088.618011,4081.819666,3075.021321,2068.222976,1061.424631,279.7536999,160.279036,159.125208,296.664116,374.86696,311.98206,249.09716,186.21226,123.32736,60.466176,26.63610648,34.55010896,47.78739401,48.10273616,39.0812073,30.05967844,21.03814958,12.01662072,4.001516144,3846.242925,3210.7269,6649.252193,9053.567731,7574.612576,6095.657421,4616.702266,3137.747111,1664.258868,35.25,42,64.75,73.5,61.25,49,37,24,9,44.61329874,48.14991518,24.93527612,16.14559652,15.00234407,13.28746539,10.42933426,4.713072,1.016064,150.5199227,198.9494215,129.5870886,94.23366687,90.70710369,85.41725893,76.60085098,58.96803508,31.08374443,6.968653739,7.232964,7.063431333,6.941980741,6.932934667,6.919365556,6.89675037,6.85152,6.718464,1.158091586,1.570459498,1.137795096,0.89079141,0.868471273,0.834991068,0.779190725,0.66759004,0.444612905,167.2279533,145.9421318,158.3155284,167.6586617,168.3247239,169.3238172,170.9889728,174.3192839,184.917652,1.532608696,1.909090909,1.541666667,1.361111111,1.361111111,1.361111111,1.37037037,1.333333333,1,0.033165437,-0.004413881,-0.01485432,-9.76E-05,1.04E-05,4.11E-05,-2.27E-04,-0.001768116,0.004726855,589.5388264,-58.58770946,-250.1420564,-15.56236033,-16.47779329,-17.39322625,-18.30865921,-19.22409217,100.9264839,1096.272622,-108.9463475,-465.1498353,-28.93887356,-30.64116024,-32.34344692,-34.0457336,-35.74802028,187.6771065,0.115486609,-0.01147693,-0.049001112,-0.00304856,-0.003227887,-0.003407214,-0.003586541,-0.003765868,0.019770805,4.900848691,-0.487040864,-2.079436188,-0.129370229,-0.136980243,-0.144590256,-0.15220027,-0.159810283,0.839003988,26.62148787,-2.645613702,-11.29553038,-0.70274114,-0.744078854,-0.785416568,-0.826754282,-0.868091996,4.557482978,2.369565217,-0.679584121,-0.75094518,0.04536862,0.037807183,0.030245747,0.27268431,-0.484877127,0.344517958,0.001441976,-2.01E-04,-3.54E-04,-1.81E-06,2.31E-07,1.14E-06,-8.41E-06,-9.82E-05,5.25E-04,25.63212289,-2.663077703,-5.955763248,-0.288191858,-0.366173184,-0.483145173,-0.678098489,-1.06800512,11.21405376,47.66402704,-4.952106706,-11.07499608,-0.535905066,-0.680914672,-0.898429081,-1.260953096,-1.986001127,20.85301183,0.005021157,-5.22E-04,-0.001166693,-5.65E-05,-7.17E-05,-9.46E-05,-1.33E-04,-2.09E-04,0.002196756,0.213080378,-0.022138221,-0.049510385,-0.002395745,-0.003044005,-0.004016396,-0.005637047,-0.008878349,0.093222665,1.157455995,-0.120255168,-0.268941199,-0.013013725,-0.016535086,-0.021817127,-0.030620529,-0.048227333,0.506386998,0.103024575,-0.030890187,-0.017879647,8.40E-04,8.40E-04,8.40E-04,0.010099419,-0.026937618,0.038279773,-0.139136174,-0.245270661,-0.001253869,1.60E-04,7.92E-04,-0.005833771,-0.068120906,0.364226813,-0.103896104,-0.232355442,-0.011243386,-0.014285714,-0.018849206,-0.026455026,-0.041666667,0.4375,-0.103896104,-0.232355442,-0.011243386,-0.014285714,-0.018849206,-0.026455026,-0.041666667,0.4375,-0.103896104,-0.232355442,-0.011243386,-0.014285714,-0.018849206,-0.026455026,-0.041666667,0.4375,-0.103896104,-0.232355442,-0.011243386,-0.014285714,-0.018849206,-0.026455026,-0.041666667,0.4375,-0.103896104,-0.232355442,-0.011243386,-0.014285714,-0.018849206,-0.026455026,-0.041666667,0.4375,-0.299833194,-0.173547401,0.008154944,0.008154944,0.008154944,0.098029222,-0.26146789,0.371559633,1.677769697,1.366325958,0.894779892,0.887272769,0.877345483,0.866368597,0.860088788,0,1.642857143,1.398384354,0.920304233,0.903571429,0.878472222,0.836640212,0.75297619,0,1.642857143,1.398384354,0.920304233,0.903571429,0.878472222,0.836640212,0.75297619,0,1.642857143,1.398384354,0.920304233,0.903571429,0.878472222,0.836640212,0.75297619,0,1.642857143,1.398384354,0.920304233,0.903571429,0.878472222,0.836640212,0.75297619,0,1.642857143,1.398384354,0.920304233,0.903571429,0.878472222,0.836640212,0.75297619,0,1.899082569,1.105286151,0.773700306,0.825280326,0.902650357,0.945633707,1.547400612,0,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,37.65866569,18.76980904,30.52110988,37.57363168,5.367661669,18.76980906,-0.119047619,0,0,0,2000010.429,285715.7756,10.15606407,0,11.89,12.11009426,-0.170505143,0.049799553,5.07776577,7.013266965,6,22,22,22,6,0,0,0,0,0,17.491312,3.46525469,3.158726067,2.704532478,2.18392002,1.697255367,1.33214981,1.12257211,0.083923071,1.904635069,1.708882991,1.416594417,1.091617933,0.812004896,0.62252576,0.520687981,0.083923071,3.495528058,3.197240258,2.75626044,2.253323613,1.787626596,1.442861713,1.247239295,0.270913902,1.841598162,1.631733601,1.320892568,0.975709625,0.676946685,0.473240653,0.363561368,0.270913902,3.627546596,3.364701014,2.978659738,2.546003084,2.15897414,1.884943921,1.734531854,0.943918427,1.65367868,1.397661851,1.021801198,0.601565151,0.227675426,0.035334264,0.179116682,0.943918427,3.517773193,3.225530555,2.794149646,2.303876515,1.852911093,1.522049418,1.335706358,0.399277246,1.801239377,1.581957035,1.258390945,0.899064477,0.586652857,0.37260324,0.257148129,0.399277246,3.691164299,3.444790866,3.083065776,2.679762813,2.323440621,2.074844725,1.939585081,1.207644823,1.594270913,1.322620074,0.923248485,0.474040332,0.069155742,0.220196471,0.379998654,1.207644823,3.521026622,3.299285969,2.904733882,2.41404363,1.958983634,1.637300666,1.463136585,0.608695652,1.780694793,1.496988767,1.127308204,0.758536836,0.446581942,0.225539445,0.101991436,0.608695652,0,0,0,0,0,2,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.9767,34.433,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,4.491388889,0,7.008611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.245694444,0,1.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.245694444,0,1.4375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.5,1.642857143,0.2,2.245694444,0.2,1.361111111,5.318430556,0.138888889,0.245694444,0.982777778,0.138888889,0.245694444,0.982777778,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.28571,0,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,6.60412,0.94345,6.60412,0,0,3.41421,0.48774,3.41421,0,0,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6,0,0,0,0,0,0,1,0.886540893,1.149229762,2.024260067,2.392277173,1.970124741,1.487625831,20.39044053,26.43228451,46.55798153,55.02237498,45.31286904,34.21539412,0.195982923,0.254054166,0.447492504,0.528848106,0.435525093,0.328861602,3.637021063,3.374332195,2.499301889,2.131284783,2.553437215,3.035936125,0.19880132,0.257707677,0.453927819,0.536453382,0.441788306,0.333590905,6.634953582,9.787220006,12.98928415,12.76511603,9.706424984,9.691482087,27.76507516,23.86271421,22.5116657,23.21412863,26.97884693,20.92601136,7,6,6,7,0,7,2.23,1.0949,0.166666667,3.838519496,0,0,5.676240019,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,3.267,5,4,3,2,1,0,0,0,0,28,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.666666667,6,1,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,0,129.6283511,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,100.1252005,4.353269587,12.83378878,1.833398397,0,0,0,56,4,4.323,22,1.224818182,2.112194041,2.841335948,3.57056513,4.901353848,5.894083671,7.18179224,8.149714457,0,0,69.72220731,59.4034463,56.14714166,69.68256275,77.4135141,72.63702886,36.17614296,8.28063147,0,0,268.787596,293.8125543,294.6988841,381.0530723,458.6594575,495.7779935,441.0536558,253.3236414,0,0,8.893455721,14.96836856,19.77594354,24.92903541,34.02469501,40.80037509,49.28997252,54.75356319,0,0,2.059771149,2.528547342,2.688241382,3.483879659,4.351666613,4.900679746,4.934891604,3.623468219,0,0,176.6115071,330.8158767,472.8171045,587.799899,821.6825129,996.274231,1245.251567,1507.026062,0,0,2.404363636,3.343460118,3.971212193,5.170836748,6.894778863,8.422072308,9.785607939,8.149714457,0,0,0.427911136,0.536688141,0.577785236,0.748373511,0.941058902,1.066458971,1.093700566,0.83453076,0,0,403.8379912,161.7305232,9.914490227,160.4510197,-64.25801421,-9.619009784,243.3869714,225.9885374,19.53350001,0.715658082,0.286609379,0.01756988,0.284341918,-0.113874297,-0.017046247,227.8813406,91.26275698,5.594637884,90.54074723,-36.26009128,-5.427901517,0.065916805,0.162717927,1.184070371,10.80765182,564.2890109,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,555.455313,23.56809948,8.220212446,2.458826014,2.458826014,681.77975,661.1727766,43.99483578,1.031167305,15.49681316,15.02841788,4.121686851,4.466158665,8.836778877,0.978608361,4.462408855,5.691183974,2.410082022,20.92741689,9.491973299,0.143514454,3.567246355,8.617290698,8.492784039,1.178950372,2.189116413,7.561028204,4.322884441,0.860264763,2.474850258,0.241081057,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.374499053,5.690851875,0.1631294,5.10903895,0.069892868,0.001194782,0.522969464,0.335029777,3.085440249,0.045373355,0.018276572,0.341267531,0.148779883,0.859561027,0.112752628,0.00169802,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.208928595,5.690874696,0.552386831,6.296414229,0.704467803,0.010905081,1.144317192,1.33728646,3.840405446,0.181768058,0.166693326,1.269832107,0.621296789,0.859696005,0.426540802,0.017694156,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,4.212149946,5.691147735,2.24797607,19.23681457,8.459270626,0.127959831,3.380858771,7.866748499,8.038360349,1.075948388,1.951964785,6.926186272,3.933091809,0.860218614,2.270681911,0.214798927,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,1.781738316,5.690903714,0.840204222,7.717671634,1.522717158,0.023313396,1.570868987,2.229683483,4.462228045,0.303603996,0.356078693,2.069126671,1.058348264,0.859791238,0.691937989,0.038433908,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,5.389004952,5.691336212,3.038161082,28.00697447,13.83323495,0.208874705,4.257377412,11.67269582,10.31541047,1.598476551,3.185555154,10.13053264,5.918549787,0.860439114,3.298422411,0.351593848,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,2.790059979,5.271422266,1.29341061,10.77414828,3.524579563,0.053505869,2.220055489,3.853858754,5.833898592,0.526139591,0.816636886,4.126991507,1.890031116,1.274359293,1.376346639,0.089323358,0.051622884,5.85E-20,1.28E-59,5.38E-121,4.37E-204,0.00E+00,0,0,0,0,0,0,0,0,7.486988036,0.764237729,0.504484187,0.855097768,0.087284496,0.561084185,0.570990352,0.608676381,8.755709952,9.884451656,21.52673877,0.782646652,1.740750917,6.486479406,0.323050456,0.116720337,0.936506655,0.046641465,0.421145182,0.102026394,0.0325825,6.926250199,2.890270753,10.06110377,0.904759983,0.555754076,6.900889174,0.505789825,0.277331773,0.898084266,0.065823675,0.476676624,0.250099025,0.183946102,7.684010772,5.544506943,14.1965164,0.847126399,0.91072175,7.463868768,0.754042988,0.495523928,0.856593087,0.086537964,0.557624361,0.55585822,0.587246714,8.713435684,9.700249819,21.20253277,0.78488963,1.700729296,7.078157472,0.583958583,0.346035065,0.883869119,0.072920525,0.501480661,0.333377214,0.28637266,8.00815112,6.784711634,16.22314707,0.825803678,1.121230536,7.558866057,0.795933276,0.532341716,0.850539675,0.089560104,0.571909155,0.619334317,0.677754382,8.887141048,10.46396123,22.55385797,0.775809512,1.868997853,7.493406288,0.755152712,0.496709602,0.856852617,0.086349859,0.56204658,0.557495536,0.590060367,8.745268601,9.755804536,21.31178691,0.785278926,1.709602483 +UMLRON0078,L,Heptane,CCCCCCC,8900,,"Sandia, UML",[1],C7H16,PubChem,,0,0,-1.44,2.0736,14.558,15.46793,0,0,15,5,10,0,5,0,0,0,0,0,0,0,0,0,731.481245,842.391485,968.542685,262.46304,20.32128,0,0,0,0,2428.421953,3264.950672,4567.735558,2916.407216,621.6748886,0,0,0,0,104.88722,108.8789,213.64754,276.72192,134.36928,0,0,0,0,18.39062905,25.0799431,38.43845072,31.1631443,8.892258097,0,0,0,0,2483.148301,2165.197258,4621.010995,6760.803995,3698.35304,0,0,0,0,21.25,26.25,46.25,50,20,0,0,0,0,48.76541633,56.15943233,32.28475617,6.561576,1.016064,0,0,0,0,161.8947969,217.6633782,152.2578519,72.9101804,31.08374443,0,0,0,0,6.992481333,7.258593333,7.121584667,6.918048,6.718464,0,0,0,0,1.226041937,1.671996207,1.281281691,0.779078607,0.444612905,0,0,0,0,165.54322,144.3464838,154.0336998,169.0200999,184.917652,0,0,0,0,1.416666667,1.75,1.541666667,1.25,1,0,0,0,0,0.020906774,2.17E-18,-0.010453387,-0.013937849,0.013937849,0,0,0,0,403.5533633,7.82E-14,-201.7766817,-269.0355756,269.0355756,0,0,0,0,750.4247115,2.42E-13,-375.2123557,-500.283141,500.283141,0,0,0,0,0.079053333,1.13E-15,-0.039526667,-0.052702222,0.052702222,0,0,0,0,3.354747616,-1.33E-15,-1.677373808,-2.236498411,2.236498411,0,0,0,0,18.22304229,5.37E-14,-9.111521147,-12.14869486,12.14869486,0,0,0,0,0.833333333,-2.91E-16,-0.416666667,-0.555555556,0.555555556,0,0,0,0,0.001393785,1.45E-19,-3.48E-04,-3.48E-04,6.97E-04,0,0,0,0,26.90355756,5.21E-15,-6.725889389,-6.725889389,13.45177878,0,0,0,0,50.0283141,1.61E-14,-12.50707852,-12.50707852,25.01415705,0,0,0,0,0.005270222,7.53E-17,-0.001317556,-0.001317556,0.002635111,0,0,0,0,0.223649841,-8.88E-17,-0.05591246,-0.05591246,0.111824921,0,0,0,0,1.214869486,3.58E-15,-0.303717372,-0.303717372,0.607434743,0,0,0,0,0.055555556,-1.94E-17,-0.013888889,-0.013888889,0.027777778,0,0,0,0,1.04E-16,-0.25,-0.25,0.5,0,0,0,0,1.94E-16,-0.25,-0.25,0.5,0,0,0,0,3.22E-16,-0.25,-0.25,0.5,0,0,0,0,1.43E-14,-0.25,-0.25,0.5,0,0,0,0,-3.97E-16,-0.25,-0.25,0.5,0,0,0,0,2.95E-15,-0.25,-0.25,0.5,0,0,0,0,-3.50E-16,-0.25,-0.25,0.5,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,0,11.9,12.10006119,-0.152797442,0.047263744,6.091,6.291061186,5,15,15,15,5,0,0,0,0,0,10.93207,3.573186822,2.459820995,2.459820995,1.19006016,1.19006016,0.083923071,0.083923071,0.083923071,1.724171079,1.724171079,0.757863935,0.757863935,0.489263751,0.083923071,0.083923071,0.083923071,3.600648477,2.510897621,2.510897621,1.30885592,1.30885592,0.270913902,0.270913902,0.270913902,1.655976007,1.655976007,0.62194973,0.62194973,0.329734575,0.270913902,0.270913902,0.270913902,3.72034929,2.734801489,2.734801489,1.778468089,1.778468089,0.943918427,0.943918427,0.943918427,1.452583651,1.452583651,0.172849073,0.172849073,0.223569137,0.943918427,0.943918427,0.943918427,3.620820476,2.548571849,2.548571849,1.39352899,1.39352899,0.399277246,0.399277246,0.399277246,1.612285733,1.612285733,0.531260614,0.531260614,0.22154323,0.399277246,0.399277246,0.399277246,3.778078745,2.841861735,2.841861735,1.978039144,1.978039144,1.207644823,1.207644823,1.207644823,1.38842831,1.38842831,0.016182923,0.016182923,0.429566078,1.207644823,1.207644823,1.207644823,3.666666667,2.634421018,2.634421018,1.577575475,1.577575475,0.666666667,0.666666667,0.666666667,1.528942797,1.528942797,0.349720363,0.349720363,0,0.666666667,0.666666667,0.666666667,0,0,0,0,0,0,5,0,0,0,0,0.176776695,0,0,0,0,0.176776695,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.535533906,2.5,1.767766953,1.25,0.883883476,0,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0,0,0,3.535533906,2.5,1.767766953,1.25,0.883883476,0,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0,0,0,7.709139019,14.43918427,13.62745098,13.8,8.992772455,115.1412754,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.9505,23.085,14,18.61803399,28,5.6,14.000001,1.11E-16,2.22E-17,-18.36840028,19.22543377,3.845086753,1.478117039,20,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,7.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.5,1.5,0.2,1.5,0.2,1.5,3.615,0,0,0,0,0,0,2.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0,0,0,2.5,0.5,2.5,0.5,0,0,-2.5,-0.5,0,0,3.75,0.75,3.75,0,0,2.5,0.5,2.5,0,0,-0.086,-0.0172,0,0,0.333333333,5,0,0,0,0,0,0,1,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,13.77443751,13.77443751,13.77443751,13.77443751,13.77443751,13.77443751,0.235045188,0.235045188,0.235045188,0.235045188,0.235045188,0.235045188,2.988594762,2.988594762,2.988594762,2.988594762,2.988594762,2.988594762,0.235045188,0.235045188,0.235045188,0.235045188,0.235045188,0.235045188,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,19.74937501,19.74937501,19.74937501,19.74937501,19.74937501,19.74937501,3.2,1.44,0.64,0,0,0,2.01,0.7045,0,0,0,0,7.071067812,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.071,0.064,0.277,0.248,2.625,5,5,5,0,0,0,0,0,0,25,1.791759469,1.791759469,1.791759469,1.791759469,0,0,0,0,0,0,3.258096538,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,8.618033989,12,2.4,6.006204681,0,0,0,13.96759521,2.793519041,1.318370009,0,82.67992313,3.321928095,3.044522438,3.713572067,4.394449155,5.081404365,5.771441123,6.463029457,7.155396302,7.848153086,8.541105011,62.013073,2.397895273,0,3.433987204,2.397895273,4.615120517,4.262679877,5.860786223,5.888877958,7.147559271,7.6989362,70.07825032,4.671883355,9.6875,1.9375,0,0,0,15,0,2.845,20,1.380498507,2.484266497,3.279932063,4.048814736,0,0,0,0,0,0,101.0958852,89.89445501,22.7176085,4.113854896,0,0,0,0,0,0,355.5494789,407.3068427,248.1617826,125.8523225,0,0,0,0,0,0,10.09589115,17.76333594,22.73377477,27.20181605,0,0,0,0,0,0,2.606958365,3.364602219,2.627464214,1.800155281,0,0,0,0,0,0,194.5749375,377.4425534,550.9455779,748.6973145,0,0,0,0,0,0,2.549621641,3.933472861,4.153836385,4.048814736,0,0,0,0,0,0,0.53723541,0.708711425,0.576363513,0.414598629,0,0,0,0,0,0,251.4392006,66.37673319,6.637673319,48.99699897,-12.93458108,-2.586916217,202.4422017,79.31131428,9.224589536,0.836913797,0.220934539,0.022093454,0.163086203,-0.043052672,-0.008610534,75.54143787,19.94197346,1.994197346,14.72047216,-3.886016384,-0.777203277,0.1,0.2,2.48873043,1.018936307,300.4361996,0,1,0,216.1789932,14.70302667,6.001656887,313.0493541,17.69320079,6.790018184,307.0246732,17.52211954,6.74617743,1.332033716,1.328393467,185.6462196,125.2829221,90.98938609,1.481815849,2.040306321,1.376896004,3.393045837,3.649051612,5.316433721,0.456935743,2.789005534,1.595883903,1.493127232,7.63514318,8.374240208,9.286193548,3.940990778,2.489683679,0.639207697,0.034401405,5.09E-21,1.45E-61,8.01E-124,8.51E-208,1.74427113153E-313,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234061908,1.595673376,0.710359182,2.273149056,0.368275307,1.229888338,0.098832744,0.058791918,0.004501992,2.42E-04,3.59E-23,1.02E-63,5.64E-126,6.00E-210,1.22850442E-315,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.755580372,1.595687837,0.845719232,3.105905253,1.144690634,2.080408281,0.471854478,0.28872558,0.046914228,0.002524868,3.74E-22,1.07E-62,5.88E-125,6.25E-209,1.2801963237E-314,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.632593716,1.595860928,1.436567888,7.214290405,7.580669175,8.512121333,3.560291888,2.246671137,0.56952255,0.030651032,4.54E-21,1.30E-61,7.14E-124,7.58E-208,1.5541141751E-313,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.113586447,1.59570623,0.945890347,3.755282631,1.932365913,2.900001878,0.850029248,0.525626878,0.101903973,0.005484352,8.12E-22,2.32E-62,1.28E-124,1.36E-208,2.7807574837E-314,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368128095,1.59598042,1.712349782,9.298506628,11.65702306,12.47114245,5.515734397,3.496401189,0.932224353,0.050171216,7.43E-21,2.12E-61,1.17E-123,1.24E-207,2.54385551597E-313,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.859337023,1.595766675,1.173507762,5.311140406,4.23894235,5.223522694,1.956997273,1.225779399,0.28409231,0.015289513,2.26E-21,6.47E-62,3.56E-124,3.78E-208,7.75231614E-314,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.168440624,1.616749416,0.679760138,0.485658414,0.362097975,0.436060584,0.407952779,0.458130378,4.464950179,6.078846418,12.92691676,0.271634584,1.302143741,1.569985278,1.08064732,0.218458841,0.547206428,0.376651405,0.228852413,0.1821441,0.046783153,2.869091439,2.275654509,5.515383302,0.385786749,0.457779666,1.807641563,1.293555632,0.401717536,0.516039271,0.369279795,0.303219962,0.261047213,0.15897384,3.502914731,3.58409022,8.02633501,0.327978598,0.723241014,2.15362163,1.603475674,0.668343909,0.486645631,0.362331256,0.430130979,0.401274563,0.442764086,4.425441213,5.964312992,12.69773279,0.27346533,1.274169628,1.913588372,1.388463751,0.483383737,0.505513353,0.366790986,0.339734522,0.300792682,0.230643131,3.78543586,4.253106383,9.322867738,0.308456508,0.871170335,2.214835801,1.658306378,0.715500024,0.482677817,0.361393699,0.454887229,0.429218021,0.507951058,4.588642203,6.444109656,13.66069496,0.266107273,1.392056308,2.15753944,1.606984959,0.671362133,0.486382919,0.362269176,0.43169469,0.403034764,0.446800856,4.435886533,5.994492562,12.75808119,0.272978143,1.281530309 +UMLRON0079,L,Cyclopentane,C1CCCC1,9253,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C5H10,PubChem,,100.6,0,-2.016,4.064256,20.3812,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1355.959759,1377.297103,367.448256,28.449792,0,0,0,3399.790734,4570.930941,6394.829782,7047.588415,4082.970102,870.3448441,0,0,0,146.842108,152.43046,299.106556,440.1943,387.410688,188.116992,0,0,0,25.74688067,35.11192034,53.81383101,63.15070202,43.62840202,12.44916134,0,0,0,3476.407621,3031.276161,6469.415393,10352.68609,9465.125593,5177.694257,0,0,0,29.75,36.75,64.75,85.75,70,28,0,0,0,48.76541633,56.15943233,32.28475617,21.86185878,6.561576,1.016064,0,0,0,161.8947969,217.6633782,152.2578519,111.8664828,72.9101804,31.08374443,0,0,0,6.992481333,7.258593333,7.121584667,6.987211111,6.918048,6.718464,0,0,0,1.226041937,1.671996207,1.281281691,1.002392095,0.779078607,0.444612905,0,0,0,165.54322,144.3464838,154.0336998,164.3283506,169.0200999,184.917652,0,0,0,1.416666667,1.75,1.541666667,1.361111111,1.25,1,0,0,0,0.029269484,2.17E-18,-0.014634742,2.17E-19,-0.019512989,0.019512989,0,0,0,564.9747087,5.90E-13,-282.4873543,-1.60E-13,-376.6498058,376.6498058,0,0,0,1050.594596,0,-525.297298,1.42E-13,-700.3963974,700.3963974,0,0,0,0.110674667,1.58E-15,-0.055337333,1.30E-17,-0.073783111,0.073783111,0,0,0,4.696646663,7.55E-15,-2.348323331,2.08E-15,-3.131097775,3.131097775,0,0,0,25.51225921,2.26E-14,-12.75612961,6.44E-15,-17.00817281,17.00817281,0,0,0,1.166666667,-4.02E-16,-0.583333333,-3.75E-16,-0.777777778,0.777777778,0,0,0,0.001393785,1.03E-19,-3.48E-04,3.44E-21,-3.48E-04,6.97E-04,0,0,0,26.90355756,2.81E-14,-6.725889389,-2.54E-15,-6.725889389,13.45177878,0,0,0,50.0283141,0,-12.50707852,2.26E-15,-12.50707852,25.01415705,0,0,0,0.005270222,7.53E-17,-0.001317556,2.07E-19,-0.001317556,0.002635111,0,0,0,0.223649841,3.60E-16,-0.05591246,3.30E-17,-0.05591246,0.111824921,0,0,0,1.214869486,1.08E-15,-0.303717372,1.02E-16,-0.303717372,0.607434743,0,0,0,0.055555556,-1.92E-17,-0.013888889,-5.95E-18,-0.013888889,0.027777778,0,0,0,7.41E-17,-0.25,2.47E-18,-0.25,0.5,0,0,0,1.04E-15,-0.25,-9.43E-17,-0.25,0.5,0,0,0,0,-0.25,4.51E-17,-0.25,0.5,0,0,0,1.43E-14,-0.25,3.92E-17,-0.25,0.5,0,0,0,1.61E-15,-0.25,1.48E-16,-0.25,0.5,0,0,0,8.88E-16,-0.25,8.41E-17,-0.25,0.5,0,0,0,-3.45E-16,-0.25,-1.07E-16,-0.25,0.5,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,0,11.9,12.10010405,-0.152797442,0.047306612,6.8165,7.016604054,7,21,21,21,7,0,0,0,0,0,15.304898,3.573186822,2.945817421,2.945817421,1.753131121,1.753131121,1.122946561,1.122946561,0.083923071,1.840961226,1.840961226,1.114249919,1.114249919,0.614914746,0.614914746,0.489263751,0.083923071,3.600648477,2.984115995,2.984115995,1.834262961,1.834262961,1.247019953,1.247019953,0.270913902,1.778043787,1.778043787,1.008390927,1.008390927,0.466222489,0.466222489,0.329734575,0.270913902,3.72034929,3.152527083,3.152527083,2.176961494,2.176961494,1.732917972,1.732917972,0.943918427,1.590937281,1.590937281,0.678084935,0.678084935,0.038370948,0.038370948,0.223569137,0.943918427,3.620820476,3.012359315,3.012359315,1.893471859,1.893471859,1.335136272,1.335136272,0.399277246,1.737796762,1.737796762,0.939236481,0.939236481,0.366102466,0.366102466,0.22154323,0.399277246,3.778078745,3.233982116,3.233982116,2.332680125,2.332680125,1.937675008,1.937675008,1.207644823,1.531967921,1.531967921,0.57007717,0.57007717,0.22064231,0.22064231,0.429566078,1.207644823,3.666666667,3.076806853,3.076806853,2.026128512,2.026128512,1.525851121,1.525851121,0.666666667,1.661122191,1.661122191,0.804503713,0.804503713,0.163160582,0.163160582,1.78E-15,0.666666667,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.949747468,3.5,2.474873734,1.75,1.237436867,0.875,0.618718434,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0.088388348,0,4.949747468,3.5,2.474873734,1.75,1.237436867,0.875,0.618718434,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0.088388348,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.7307,32.319,30,36.69202147,60,8.571428571,30,1.00E-16,1.43E-17,-25.78731353,175.0832053,25.01188648,3.615682924,42,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,0,0,10.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.5,1.5,0.2,1.5,0.2,1.5,5.061,0,0,0,0,0,0,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0,0,0,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.41667,0.91667,6.41667,0,0,3.5,0.5,3.5,0,0,-0.086,-0.01229,0,0,0.333333333,7,0,0,0,0,0,0,1,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,19.28421252,19.28421252,19.28421252,19.28421252,19.28421252,19.28421252,0.209068641,0.209068641,0.209068641,0.209068641,0.209068641,0.209068641,3.474021589,3.474021589,3.474021589,3.474021589,3.474021589,3.474021589,0.209068641,0.209068641,0.209068641,0.209068641,0.209068641,0.209068641,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,27.64912502,27.64912502,27.64912502,27.64912502,27.64912502,27.64912502,5.142857143,3.06122449,1.959183673,0,0,0,2.23,0.9863,0,0,0,0,11.55674537,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.071,0.064,0.277,0.248,3.623,7,7,7,7,7,0,0,0,0,49,2.079441542,2.079441542,2.079441542,2.079441542,2.079441542,2.079441542,0,0,0,0,3.912023005,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,17.04891734,24,3.428571429,12.00002171,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,0,117.2718924,3.807354922,3.36729583,4.043051268,4.727387819,5.416100402,6.107022888,6.799055862,7.491645474,8.184513753,8.877521454,69.01359475,2.708050201,0,3.761200116,0,4.94875989,2.708050201,6.196444128,4.844187086,7.475905969,7.862497197,98.10955045,4.671883355,13.890625,1.984375,0,0,0,42,7,3.983,28,1.237139684,2.1277256,2.805837885,3.415636646,3.983938154,0,0,0,0,0,80.41435058,74.91635217,63.82139281,22.77902886,4.047936137,0,0,0,0,0,294.8345942,341.4884864,323.4814951,251.8032662,123.8357154,0,0,0,0,0,9.014891653,15.19149396,19.63689512,23.64274917,26.76594507,0,0,0,0,0,2.207144943,2.832423094,2.878826781,2.683188449,1.771310316,0,0,0,0,0,176.3978478,324.9720625,458.6340643,576.2589537,736.7004893,0,0,0,0,0,2.227064289,3.338157183,3.861948153,4.286093848,3.983938154,0,0,0,0,0,0.456596072,0.597124747,0.615691475,0.589311014,0.407955267,0,0,0,0,0,264.8230398,97.8738538,6.990989557,19.84409907,-7.334023703,-1.047717672,244.9789408,105.2078775,8.038707229,0.930290166,0.343818588,0.024558471,0.069709834,-0.025763507,-0.003680501,75.38641706,27.86146993,1.990104995,5.648962907,-2.087755544,-0.298250792,0.071428571,0.142857143,1.831389567,0.426803127,284.6671389,0,1,0,458.574433,21.4143511,7.711460042,594.1929381,24.37607307,8.407028029,757.7517979,27.52729187,9.116797851,1.048628695,1.03460627,244.5795166,163.9902344,135.0089725,1.491427325,1.81157972,1.214661747,3.353752729,3.525316625,5.262672839,0.492822744,4.42617716,5.257378854,8.450149804,13.39485808,9.935328749,13.88482253,5.936232225,3.884511853,3.851198768,0.003579908,2.45E-24,3.24E-67,8.25E-132,4.06E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331360145,5.186369363,0.678511001,3.615835624,1.517439649,0.561151528,0.365130626,0.02793616,0.027124308,2.52E-05,1.73E-26,2.28E-69,5.81E-134,2.86E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.096092781,5.19111491,2.209641811,4.739362343,2.373321918,2.140878135,1.266360698,0.286584195,0.2826562,2.63E-04,1.80E-25,2.38E-68,6.06E-133,2.98E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.150340161,5.249582829,7.954838391,12.48750335,9.114907176,12.66589146,5.511701894,3.46142758,3.431348767,0.003189634,2.18E-24,2.89E-67,7.35E-132,3.61E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.642170847,5.19726726,3.277112959,5.769715351,3.21691922,3.563776384,1.955085488,0.621078749,0.613967038,5.71E-04,3.91E-25,5.16E-68,1.32E-132,6.47E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.476039294,5.290159963,10.30624811,17.10487855,13.31938102,18.85585328,7.60285256,5.663312717,5.616611461,0.00522096,3.58E-24,4.72E-67,1.20E-131,5.92E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.83488047,5.217650114,5.543592927,8.593299137,5.643567533,7.412564045,3.572888111,1.728118186,1.711643897,0.00159107,1.09E-24,1.44E-67,3.67E-132,1.80E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.9039582,1.595267167,0.755762437,0.447465019,0.374916978,0.471037561,0.48157632,0.485494334,4.254987804,5.681905094,12.23238678,0.233572995,1.438108215,1.394088407,1.098686704,0.277259512,0.503274723,0.396632842,0.252442913,0.228292772,0.065242853,2.770034622,2.222812007,5.417515707,0.349861347,0.545978538,1.596585012,1.295914909,0.467309904,0.475201007,0.385710792,0.331152031,0.317685732,0.185454931,3.359809826,3.420732184,7.74742411,0.291367699,0.834292693,1.891334561,1.582973479,0.743916507,0.448372186,0.375270084,0.464807718,0.474175608,0.470377615,4.218224547,5.578527552,12.02398787,0.235463404,1.409360941,1.686849169,1.383826508,0.552021233,0.465633535,0.381987934,0.369678196,0.362287165,0.258854555,3.622696909,4.029384767,8.94066848,0.271432204,0.990819916,1.943479664,1.633755348,0.792848734,0.444723666,0.373849895,0.49081026,0.505117223,0.534369761,4.370083746,6.011376545,12.89889004,0.227860341,1.530297243,1.894671976,1.586223667,0.747048318,0.448130816,0.375176133,0.466450714,0.476126614,0.474350857,4.227943961,5.605770765,12.07887397,0.234960423,1.416928185 +UMLRON0080,L,Cycloheptane,C1CCCCCC1,9265,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C7H14,PubChem,,38.7,0,-2.304,5.308416,23.2928,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1549.668296,1574.053832,996.997348,226.227456,16.257024,0,0,3885.475125,5223.921076,7308.376893,8054.38676,6360.319153,2830.465684,497.3399109,0,0,167.819552,174.20624,341.836064,503.0792,472.917136,328.87296,107.495424,0,0,29.42500648,40.12790896,61.50152116,72.17223088,61.01663088,32.04432192,7.113806478,0,0,3973.037281,3464.315612,7393.617592,11831.64124,11324.46382,8367.325628,2958.682432,0,0,34,42,74,98,89,56,16,0,0,48.76541633,56.15943233,32.28475617,21.86185878,14.66172571,4.713072,1.016064,0,0,161.8947969,217.6633782,152.2578519,111.8664828,93.53410519,58.96803508,31.08374443,0,0,6.992481333,7.258593333,7.121584667,6.987211111,6.954663765,6.85152,6.718464,0,0,1.226041937,1.671996207,1.281281691,1.002392095,0.897303395,0.66759004,0.444612905,0,0,165.54322,144.3464838,154.0336998,164.3283506,166.5362326,174.3192839,184.917652,0,0,1.416666667,1.75,1.541666667,1.361111111,1.308823529,1.166666667,1,0,0,0.033450839,1.73E-18,-0.016725419,-1.08E-18,-0.01115028,-4.55E-18,0.01115028,0,0,645.6853813,6.75E-13,-322.8426907,-1.60E-13,-215.2284604,-8.42E-13,215.2284604,0,0,1200.679538,0,-600.3397692,1.42E-13,-400.2265128,1.42E-13,400.2265128,0,0,0.126485333,2.94E-15,-0.063242667,3.90E-17,-0.042161778,-2.88E-15,0.042161778,0,0,5.367596186,1.24E-14,-2.683798093,-4.72E-16,-1.789198729,-1.25E-14,1.789198729,0,0,29.15686767,-1.14E-13,-14.57843384,6.66E-16,-9.718955891,1.14E-13,9.718955891,0,0,1.333333333,-4.58E-16,-0.666666667,-4.86E-16,-0.444444444,1.80E-16,0.444444444,0,0,0.001393785,7.23E-20,-3.48E-04,-1.51E-20,-1.64E-04,-9.49E-20,6.97E-04,0,0,26.90355756,2.81E-14,-6.725889389,-2.22E-15,-3.165124418,-1.75E-14,13.45177878,0,0,50.0283141,0,-12.50707852,1.97E-15,-5.885684011,2.96E-15,25.01415705,0,0,0.005270222,1.22E-16,-0.001317556,5.42E-19,-6.20E-04,-5.99E-17,0.002635111,0,0,0.223649841,5.16E-16,-0.05591246,-6.55E-18,-0.026311746,-2.60E-16,0.111824921,0,0,1.214869486,-4.74E-15,-0.303717372,9.25E-18,-0.142925822,2.38E-15,0.607434743,0,0,0.055555556,-1.91E-17,-0.013888889,-6.75E-18,-0.006535948,3.76E-18,0.027777778,0,0,5.19E-17,-0.25,-1.08E-17,-0.117647059,-6.81E-17,0.5,0,0,1.05E-15,-0.25,-8.25E-17,-0.117647059,-6.52E-16,0.5,0,0,0,-0.25,3.95E-17,-0.117647059,5.92E-17,0.5,0,0,2.32E-14,-0.25,1.03E-16,-0.117647059,-1.14E-14,0.5,0,0,2.31E-15,-0.25,-2.93E-17,-0.117647059,-1.16E-15,0.5,0,0,-3.90E-15,-0.25,7.62E-18,-0.117647059,1.96E-15,0.5,0,0,-3.43E-16,-0.25,-1.21E-16,-0.117647059,6.77E-17,0.5,0,0,1.4375,1.4375,0.958333333,1.014705882,0.71875,0,0,0,1.4375,1.4375,0.958333333,1.014705882,0.71875,0,0,0,1.4375,1.4375,0.958333333,1.014705882,0.71875,0,0,0,1.4375,1.4375,0.958333333,1.014705882,0.71875,0,0,0,1.4375,1.4375,0.958333333,1.014705882,0.71875,0,0,0,1.4375,1.4375,0.958333333,1.014705882,0.71875,0,0,0,1.4375,1.4375,0.958333333,1.014705882,0.71875,0,0,0,32,16,22.82842712,32,4,16.00000052,5.33E-15,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,32,16,22.82842712,32,4,16.00000052,5.33E-15,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,32,16,22.82842712,32,4,16.00000052,5.33E-15,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,32,16,22.82842712,32,4,16.00000052,5.33E-15,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,32,16,22.82842712,32,4,16.00000052,5.33E-15,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,32,16,22.82842712,32,4,16.00000052,5.33E-15,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,32,16,22.82842712,32,4,16.00000052,5.33E-15,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,0,11.9,12.10012615,-0.152797442,0.047328706,6.997875,7.198001148,8,24,24,24,8,0,0,0,0,0,17.491312,3.573186822,3.081433849,3.081433849,2.028500884,2.028500884,1.270833524,1.270833524,1.056465515,1.972542445,1.601124015,1.601124015,0.944577813,0.944577813,0.583297216,0.583297216,0.489263751,3.600648477,3.116946261,3.116946261,2.095899225,2.095899225,1.383461819,1.383461819,1.185878035,1.914964133,1.526761479,1.526761479,0.824985323,0.824985323,0.431818797,0.431818797,0.329734575,3.72034929,3.272942385,3.272942385,2.386450742,2.386450742,1.833651535,1.833651535,1.687973407,1.74405498,1.303946671,1.303946671,0.442532316,0.442532316,0.085189605,0.085189605,0.223569137,3.620820476,3.143118662,3.143118662,2.145396886,2.145396886,1.464075869,1.464075869,1.27745173,1.878174485,1.479012186,1.479012186,0.746119641,0.746119641,0.329627854,0.329627854,0.22154323,3.778078745,3.348444081,3.348444081,2.521841838,2.521841838,2.026932228,2.026932228,1.897819044,1.690174221,1.233500967,1.233500967,0.314197015,0.314197015,0.273414305,0.273414305,0.429566078,3.666666667,3.202811926,3.202811926,2.257333958,2.257333958,1.640186762,1.640186762,1.474809634,1.808142967,1.387733658,1.387733658,0.590667291,0.590667291,0.121931697,0.121931697,1.77E-15,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.656854249,4,2.828427125,2,1.414213562,1,0.707106781,0.5,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0.088388348,0.0625,5.656854249,4,2.828427125,2,1.414213562,1,0.707106781,0.5,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0.088388348,0.0625,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.1208,36.936,40,48,80,10,40,3.33E-16,4.16E-17,-28.51055062,26.73718884,3.342148605,2.628844349,64,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,1.5,0.2,1.5,0.2,1.5,5.784,0,0,0,0,0,0,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0,0,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,7.83333,0.97917,7.83333,0,0,4,0.5,4,0,0,-0.086,-0.01075,0,0,0.333333333,8,0,0,0,0,0,0,1,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,22.03910002,22.03910002,22.03910002,22.03910002,22.03910002,22.03910002,0.200284263,0.200284263,0.200284263,0.200284263,0.200284263,0.200284263,3.666666667,3.666666667,3.666666667,3.666666667,3.666666667,3.666666667,0.200284263,0.200284263,0.200284263,0.200284263,0.200284263,0.200284263,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,31.59900002,31.59900002,31.59900002,31.59900002,31.59900002,31.59900002,6.125,3.9375,2.8125,0,0,0,2.34,1.1272,0,0,0,0,13.76640469,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.071,0.064,0.277,0.248,4.122,8,8,8,8,8,8,0,0,0,64,2.197224577,2.197224577,2.197224577,2.197224577,2.197224577,2.197224577,2.197224577,0,0,0,4.17438727,1,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,22.82842712,32,4,16.00000052,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,0,134.567877,4,3.496507561,4.17438727,4.859812404,5.549076085,6.240275845,6.932447892,7.625107148,8.318010278,9.01103541,72.20665989,2.833213344,0,3.891820298,0,5.081404365,0,6.357842267,0,7.685703061,8.001355026,112.1252005,4.671883355,15.9375,1.9921875,0,0,0,64,8,4.552,32,1.24369445,2.144761693,2.837412989,3.440145052,3.889620775,4.164121839,0,0,0,0,81.35996807,76.13956799,65.75272132,49.25953794,17.74057831,4.231014292,0,0,0,0,297.6106482,345.8192376,330.3207034,320.7870502,224.9020855,129.436499,0,0,0,0,9.064317968,15.31600472,19.86405408,23.93243263,26.6285269,27.97650267,0,0,0,0,2.225425528,2.864285526,2.92993763,3.088110846,2.560997967,1.851422307,0,0,0,0,177.2289551,327.3780749,463.3667738,572.2363634,679.7315415,770.0196332,0,0,0,0,2.241812512,3.369482628,3.915051955,4.509255513,4.511225897,4.164121839,0,0,0,0,0.460283128,0.603695071,0.626278291,0.668649731,0.569362897,0.426406076,0,0,0,0,288.6484858,121.9192138,7.61995086,54.8778968,-23.17930063,-2.897412579,233.770589,145.0985144,10.51736344,0.840251289,0.35490495,0.022181559,0.159748711,-0.067474587,-0.008434323,99.15837018,41.88246647,2.617654155,18.85200537,-7.962701298,-0.995337662,0.0625,0.125,1.106102413,0.33021084,343.5263826,0,1,0,509.6870498,22.57624968,7.987935199,664.6796271,25.7813814,8.727116815,888.1957202,29.80261264,9.61249718,1.13975568,1.13975568,322.7245613,209.577726,198.3087774,1.53988006,1.627384151,1.056825264,3.649119862,3.615580989,5.455465417,0.508876563,4.463237866,8.375333797,7.343761211,18.81147766,15.53925671,17.03586309,13.35806737,4.114133286,4.209239483,0.822753343,1.33E-13,4.13E-48,2.48E-104,2.88E-182,6.45E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374504896,6.800227882,0.495738643,5.852388174,3.853918419,2.138598392,0.771591999,0.153107076,0.029646023,0.005794719,9.34E-16,2.91E-50,1.75E-106,2.03E-184,4.54E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208989444,6.90548007,1.679166921,7.460788833,5.002461582,3.957340825,2.721060885,0.620870392,0.308934377,0.06038544,9.73E-15,3.03E-49,1.82E-105,2.11E-183,4.73E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212888581,8.202401138,6.848682869,17.65133687,14.38639101,15.69152228,12.36830336,3.751090172,3.750356602,0.733058416,1.18E-13,3.68E-48,2.21E-104,2.57E-182,5.74E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781870483,7.041944619,2.555212871,8.872760499,6.15809739,5.568719322,4.243311642,1.043155896,0.671046735,0.131165246,2.11E-14,6.59E-49,3.96E-105,4.59E-183,1.03E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.390213985,9.102492194,9.262932396,23.52342455,20.3045452,22.50424266,17.27163605,5.595196188,6.138780178,1.199908427,1.93E-13,6.03E-48,3.62E-104,4.20E-182,9.40E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.975307689,7.494069027,4.546489958,12.61876749,9.52526758,9.873917735,7.895267012,2.187305038,1.870773119,0.365668152,5.89E-14,1.84E-48,1.10E-104,1.28E-182,2.86E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.006707551,1.886360124,0.874493221,0.420908635,0.395665659,0.501372473,0.478849791,0.555316132,4.767560897,7.189834398,15.26767842,0.224861442,1.535538396,1.489292526,1.388789456,0.379679153,0.457152156,0.426301806,0.276914447,0.262602476,0.104306936,3.257761136,3.161061488,7.20411824,0.325180943,0.643823859,1.694422217,1.586771938,0.576210439,0.439264841,0.411357403,0.358119243,0.34136407,0.240588509,3.857404594,4.579319951,9.985959441,0.275933367,0.940071822,1.993864028,1.874074745,0.862243735,0.421519471,0.396195018,0.495013235,0.472780134,0.539822492,4.730182509,7.071756196,15.02384195,0.226571734,1.507615861,1.786026052,1.67485488,0.663809433,0.433008516,0.406055905,0.397684095,0.37950656,0.319502118,4.124690365,5.288699858,11.39906625,0.258596631,1.096692773,2.046926247,1.924813539,0.912842865,0.419058575,0.394058956,0.521545869,0.498086496,0.605247762,4.884582651,7.565525678,16.04666481,0.219676297,1.624880127,1.997259441,1.87732287,0.865482239,0.421357013,0.396054284,0.496690507,0.474381298,0.54389725,4.74006455,7.102882999,15.08807392,0.226116945,1.514969055 +UMLRON0081,L,Cyclooctane,C1CCCCCCC1,9266,Sandia values from independent api report and because source [9] does not seem 100% reliable should go with these,"Sandia, UML",[9],C8H16,PubChem,,71,0,2.2365,5.00193225,44.6375,22.50793,6,6,19,9,10,0,9,0,0,0,0,0,0,0,0,0,1308.537729,1419.447969,1662.600922,1416.490328,939.333869,598.313019,249.249337,41.401584,2.032128,4122.48956,4959.018279,6362.595601,6046.274113,4441.11192,3010.796674,1590.079788,499.6285713,62.16748886,135.049284,139.040964,216.959464,263.542112,239.323892,168.898476,118.229284,54.945216,13.436928,29.54622905,36.2355431,48.82202339,49.25253375,38.21010813,26.39967927,15.25415772,5.563697454,0.88922581,2990.325725,2672.374682,4393.984724,5709.269567,5456.066916,3850.317405,2831.115954,1383.955903,369.835304,48.02777778,55.16666667,73.66666667,79.33333333,67,51.5,32,12,2,68.87040679,74.70778784,55.42003073,38.28352238,27.62746674,24.92970913,14.66172571,5.175198,1.016064,216.9731347,261.0009621,212.08652,163.4128139,130.6209388,125.4498614,93.53410519,62.45357141,31.08374443,7.107857053,7.317945474,7.231982133,7.122759784,7.038938,7.0374365,6.954663765,6.868152,6.718464,1.555064687,1.907133847,1.62740078,1.331149561,1.12382671,1.099986636,0.897303395,0.695462182,0.444612905,157.3855645,140.651299,146.4661575,154.3045829,160.4725563,160.4298919,166.5362326,172.9944879,184.917652,2.527777778,2.903508772,2.455555556,2.144144144,1.970588235,2.145833333,1.882352941,1.5,1,0.068739837,-0.005161092,-0.03060296,-0.004323125,0.005390259,-0.006355469,-0.003657572,0.003770945,0.006569095,573.4705689,3.91E-13,-153.5962109,-148.2304044,-19.45104854,-74.45056509,9.390161363,45.27399229,54.32879074,1066.393011,-2.84E-14,-285.6187129,-275.6407666,-36.17005534,-138.4440049,17.46140603,84.18892192,101.0267063,0.112338947,9.37E-16,-0.030088443,-0.029037319,-0.003810327,-0.014584355,0.001839468,0.008868864,0.010642637,4.767272928,8.22E-15,-1.276848539,-1.232242476,-0.161696977,-0.618909117,0.078060609,0.376363652,0.451636383,25.89590221,5.55E-14,-6.935861527,-6.693560688,-0.878340543,-3.361924146,0.424026469,2.044413332,2.453295999,6.271929825,-0.919590643,-2.224684518,-1.434518313,1.628885811,-0.268928901,-0.314943059,-0.067713143,0.465527855,0.003617886,-2.72E-04,-0.001020099,-1.17E-04,1.59E-04,-2.65E-04,-2.15E-04,4.71E-04,0.003284548,30.18266152,2.06E-14,-5.119873695,-4.006227145,-0.572089663,-3.102106879,0.552362433,5.659249036,27.16439537,56.12594795,-1.50E-15,-9.520623763,-7.449750448,-1.063825157,-5.768500206,1.027141531,10.52361524,50.51335315,0.005912576,4.93E-17,-0.001002948,-7.85E-04,-1.12E-04,-6.08E-04,1.08E-04,0.001108608,0.005321319,0.250909101,4.32E-16,-0.042561618,-0.033303851,-0.004755793,-0.02578788,0.004591801,0.047045457,0.225818191,1.362942221,2.92E-15,-0.231195384,-0.180907046,-0.025833545,-0.140080173,0.024942733,0.255551667,1.226647999,0.33010157,-0.048399508,-0.074156151,-0.038770765,0.047908406,-0.011205371,-0.018526062,-0.008464143,0.232763927,-0.075081523,-0.281959856,-0.03229544,0.043820351,-0.07319501,-0.059468784,0.130288262,0.90786374,6.81E-16,-0.16962963,-0.132732733,-0.018954248,-0.102777778,0.018300654,0.1875,0.9,-2.67E-17,-0.16962963,-0.132732733,-0.018954248,-0.102777778,0.018300654,0.1875,0.9,8.34E-15,-0.16962963,-0.132732733,-0.018954248,-0.102777778,0.018300654,0.1875,0.9,1.72E-15,-0.16962963,-0.132732733,-0.018954248,-0.102777778,0.018300654,0.1875,0.9,2.14E-15,-0.16962963,-0.132732733,-0.018954248,-0.102777778,0.018300654,0.1875,0.9,-0.146620047,-0.224646465,-0.117451017,0.145132319,-0.033945221,-0.056122309,-0.025641026,0.705128205,1.071530675,1.177759696,0.899874365,0.846686059,1.127783519,1.124376095,0.878124806,0.009626125,1,1.14,1.078378378,0.95,1.029166667,0.894117647,0.7125,0,1,1.14,1.078378378,0.95,1.029166667,0.894117647,0.7125,0,1,1.14,1.078378378,0.95,1.029166667,0.894117647,0.7125,0,1,1.14,1.078378378,0.95,1.029166667,0.894117647,0.7125,0,1,1.14,1.078378378,0.95,1.029166667,0.894117647,0.7125,0,1.208391608,1.00979021,0.958797959,0.678794735,1.210751748,1.266145619,1.076223776,0,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,42.42855265,20.93947997,33.716216,42.30951421,4.701057135,20.93947997,-0.285185185,0.297465968,0.033051774,-1.091209907,37.38254931,4.15361659,3.2590836,0,11.85,12.15009716,-0.209893471,0.090224319,5.318792434,8.528380906,9,19,15,12,2,4,1,0,0,7,10.93207,3.785508504,3.262401811,2.659969356,2.619181914,1.925846213,0.959727413,0.941428501,0.744727258,1.981365574,1.643786832,1.141766734,1.082250302,0.778814321,0.356428861,0.310513972,0.232278944,3.797457395,3.286728087,2.686019585,2.645815032,1.988626361,1.079054691,1.053336623,0.872930974,1.949605717,1.585656155,1.060330712,1.007167592,0.667974583,0.196589796,0.150156259,0.064327708,3.851724481,3.39635421,2.812285422,2.771820215,2.260007251,1.560301238,1.517793787,1.389197011,1.862951357,1.418726352,0.839786049,0.798620231,0.312366743,0.352943724,0.396843083,0.518143877,3.806343921,3.304797075,2.705833948,2.665925019,2.034803841,1.16494069,1.134811365,0.965217967,1.930031842,1.548962927,1.009894615,0.960278991,0.594846724,0.088455115,0.041902902,0.049661526,3.87937647,3.451193644,2.88066792,2.838078588,2.386331092,1.766725721,1.721464227,1.60937037,1.837677693,1.368183706,0.778470925,0.738564276,0.192502856,0.554265436,0.594311107,0.73341648,3.770537103,3.428746661,2.71924511,2.674482089,2.051728856,1.24906029,1.195162774,1.027993705,1.968035766,1.495715701,0.942895994,0.933669113,0.554010772,0.00307107,0.036501315,0.13113769,0,0,1,6,1,0,1,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.65464793,0.637136847,0.204124145,0.244531073,0.191638319,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,5.378315178,3.080733574,1.978397839,1.22286449,0.780760001,0.445809975,0.146277398,0.058264155,0.597590575,0.34230373,0.197839784,0.111169499,0.065063333,0.037150831,0.024379566,0.014566039,11.70913902,18.43918427,17.62745098,17.8,12.99277246,142.1120539,0.616270475,0.970483383,0.927760578,0.936842105,0.683830129,7.479581784,2.34129,40.073,37.50463196,54.26687178,75.00926391,8.334362657,37.50463196,0.136437528,0.015159725,-1.792699594,35.3218919,3.924654656,3.208052645,81,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,5,0,0,1,0,7,0,0,0,0,0,0,0,0,0,1,1,0,1,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.19361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.3875,2.153194444,0,0,0.449583333,0,2.962916667,0,0,0,0,0,0,0,0,0,3.655963719,0.973055556,0,1.912037037,10.29922147,0,0,0,0,1.326388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.326388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.3875,0.422222222,0,0,0.449583333,0,0.3875,0,0,0,0,0,0,0,0,0,3.655963719,0.973055556,0,1.912037037,2.02042517,0,0,0,0,1.326388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.655963719,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.3875,0.44,0,0,0.449583333,0,0.44,0,0,0,0,0,0,0,0,0,3.655963719,0.973055556,0,1.912037037,2.098888889,0,0,0,0,1.326388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.16666667,2.018518519,0.449583333,3.655963719,0.1875,0.973055556,5.511724607,0.526944444,0.655963719,1.91037037,0.526944444,0.655963719,1.91037037,4.5,0.5,0,0,0.48947,0.7,0.43333,0.43333,0.7,0.05614,0.05614,0,0,0.71429,0,0,0.11111,0.11111,0,11.5,1.27778,4.5,0.5,7,0.77778,2.5,0.27778,0,0,3.99002,0.44334,9.45555,5.46552,0.60728,1.88478,0.20942,4.43185,2.54706,0.28301,-0.01785,-0.00198,0.06815,0.00757,0.315789474,9,0,0,0,0,0,0,0.111111111,0.998000884,2.268472752,3.070847094,3.576617645,3.826874882,3.826874882,18.96201679,43.10098228,58.34609478,67.95573525,72.71062276,72.71062276,0.234938304,0.534018705,0.722904777,0.841967673,0.900880458,0.900880458,3.24992663,1.979454762,1.17708042,0.671309869,0.421052632,0.421052632,0.220622795,0.501479315,0.678855982,0.790664012,0.84598706,0.84598706,6.618775012,17.68782693,21.30512694,24.5657265,24.817942,24.817942,32.44785067,25.45838126,21.16220865,17.02910309,16.43842401,16.43842401,7.111111111,3.92,2.380165289,3,6,3,2.45,1.0961,0,2.085481947,0.333333333,0,9.563073858,4.445544946,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.156,0.16,0.593,0.791,4.311,10,11,12,12,6,4,2,0,0,75,2.63905733,3.020424886,3.425889994,3.884137802,4.282724121,3.684180933,3.595598464,3.446011397,0,0,5.690148283,3.9325,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.222222222,2,0.222222222,0,3,6,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.04,0,0,0,0,0.111111111,0.044444444,0.0234375,0.030222222,0.030092593,0.04,0,0,0,0,0.27930787,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,0,130.4180268,4.169925001,3.663561646,4.394449155,5.153291594,5.905361848,6.673297968,7.430707083,8.200562797,8.959440144,9.729669736,78.11034197,2.944438979,0,4.077537444,0,5.433722004,0,6.886531643,0,8.379997952,8.639410824,118.0782503,6.214644754,17.70058553,1.966731726,0,0,0,94,8,3.33,38,1.234384407,2.199485521,3.021962295,3.841739795,4.795809984,5.631663304,6.823369844,7.891858252,0,0,101.3289235,130.3824571,121.8330223,117.9230695,130.6964617,89.8042312,35.98668825,8.018633063,0,0,343.462572,487.6086729,512.7423441,535.883529,632.1279577,557.4891006,431.2303933,245.308505,0,0,9.062311056,15.94197313,21.57311859,27.12064441,33.81400411,39.27660755,46.88821296,53.02116556,0,0,2.469633901,3.698910925,4.142314705,4.526655884,5.457429068,5.271603385,4.786070569,3.508822022,0,0,171.802727,319.7942963,462.7398801,610.7971643,764.8818916,929.3463435,1178.472046,1459.343898,0,0,3.682106475,5.523120587,6.620866267,7.876871244,10.62566589,11.07458266,10.3534033,7.891858252,0,0,0.507053598,0.767340061,0.869811027,0.958915976,1.160095518,1.137905306,1.05916583,0.808126285,0,0,249.8685352,135.8724953,13.78947825,109.9759342,-59.80226598,-7.857726972,139.892601,195.6747613,21.64720522,0.694379257,0.377586727,0.038320662,0.305620743,-0.166189204,-0.021836453,89.91381046,48.89296599,4.962067482,39.57423167,-21.51951467,-2.827559593,0.114087926,0.188166619,2.869627232,4.710398785,359.8444694,0,1,0,685.4526174,26.18115004,8.817100947,784.0214766,28.00038351,9.220956781,1114.252481,33.38042062,10.36719347,2.139680182,2.139680182,585.5984553,519.1329616,109.9729061,1.128031735,5.324933898,4.720553273,4.140590823,4.557162436,7.912267499,0.736226788,3.442403505,2.942086905,4.360877271,9.779856507,3.936675562,4.345255588,2.951605387,7.067741441,4.642632662,4.814938657,1.157397363,0.611217223,0.666403773,0.416040123,0.654715896,1.00E-15,4.13E-52,3.30E-110,5.10E-190,1.52E-291,0,0,0,0,0,0,0,0,0,0,0.289017388,2.942043843,0.33122095,3.916771932,1.043520389,1.163021309,0.265384927,1.170937111,0.516843861,1.071927453,0.168419125,0.051597864,0.029924236,0.003644965,0.004611218,7.06E-18,2.91E-54,2.33E-112,3.59E-192,1.07E-293,0,0,0,0,0,0,0,0,0,0,0.932690722,2.942046922,1.091482971,4.493263288,1.333307376,1.751870912,0.775502742,2.068108481,1.130623272,1.535988715,0.369713883,0.165709778,0.113732815,0.032371349,0.048052443,7.36E-17,3.03E-53,2.42E-111,3.74E-191,1.11E-292,0,0,0,0,0,0,0,0,0,0,3.249355466,2.942082249,4.09215315,9.201484899,3.653157039,4.128963501,2.773644045,6.59831655,4.309260827,4.479675762,1.096648777,0.576915866,0.611126597,0.371176415,0.583340076,8.93E-16,3.68E-52,2.94E-110,4.54E-190,1.35E-291,0,0,0,0,0,0,0,0,0,0,1.374552287,2.942050731,1.631870269,5.073183236,1.621541204,2.17412443,1.137024125,2.774992352,1.619774952,1.943618672,0.508067682,0.244079163,0.184955928,0.068556034,0.104376326,1.60E-16,6.58E-53,5.27E-111,8.12E-191,2.42E-292,0,0,0,0,0,0,0,0,0,0,4.157173499,2.942106441,5.380856795,12.17046136,5.107228105,5.170474473,3.625858963,8.928920961,5.968694035,6.176755764,1.382553717,0.738267238,0.88959173,0.60442407,0.954841603,1.46E-15,6.02E-52,4.82E-110,7.43E-190,2.21E-291,0,0,0,0,0,0,0,0,0,0,1.79836366,2.254610588,2.03558746,5.033947587,1.869686818,2.320304126,1.617580705,3.149159246,2.004972061,2.719386709,0.64664148,0.310430196,0.244191593,0.106673987,0.160689467,2.46E-16,1.01E-52,8.11E-111,1.25E-190,3.72E-292,0,0,0,0,0,0,0,0,0,0,5.478788136,1.382040338,0.462242758,0.748154423,0.188724142,0.51782695,0.39368805,0.308351738,7.323071232,10.74327449,21.56640453,0.622231635,1.219866738,4.262891747,0.747061917,0.184194559,0.820710454,0.143827609,0.31303834,0.113768186,0.048736351,5.194148223,4.107450286,9.888192621,0.731065681,0.475542877,4.665117196,0.957031816,0.277141824,0.790792881,0.162228282,0.375028326,0.187436701,0.110887275,5.899290837,6.022798216,13.15943462,0.686189321,0.673352302,5.439005174,1.361260992,0.45325979,0.749842933,0.187668866,0.510303049,0.381820822,0.296548443,7.253525956,10.48619279,21.09561144,0.624764399,1.188672314,4.874432248,1.066355445,0.325073196,0.777934961,0.170184986,0.409536992,0.233170755,0.152700242,6.265860888,7.129068207,15.0846197,0.666902442,0.795407989,5.607678822,1.449359449,0.491307876,0.742901652,0.192010199,0.542586268,0.433395294,0.348068293,7.548346147,11.59472077,23.13619246,0.614352478,1.324049855,5.467914609,1.358011147,0.451826494,0.751319146,0.186597606,0.515668066,0.379893364,0.295099687,7.27775225,10.50962309,21.142408,0.62697872,1.190661116 +UMLRON0082,L,2-propenyl benzene,C=CCC1=CC=CC=C1,9309,"Sandia values from independent API report, going with sandia values until MON from UML is confirmed, then can readjust; API report vals seem solid, we'll go with those","Sandia, UML",[1],C9H10,UML,,102.1,0,2.1982,4.83208324,24.6289,16.801516,0,0,17,5,12,0,5,0,0,0,0,0,0,0,0,0,733.513373,722.34154,1023.06255,435.855168,54.867456,0,0,0,0,2490.589442,3070.907003,4290.94574,4130.518189,1678.522199,0,0,0,0,118.324148,115.573648,211.276248,256.234752,362.797056,0,0,0,0,19.27985486,24.51813172,35.43128658,40.08759516,24.00909686,0,0,0,0,2852.983605,2344.647997,4817.248533,5512.411718,9985.553209,0,0,0,0,29.5625,34,51,72,54,0,0,0,0,43.14784547,45.14634625,34.102085,12.107088,1.016064,0,0,0,0,146.5052613,191.9316877,143.0315247,114.7366164,31.08374443,0,0,0,0,6.960244,7.223353,7.0425416,7.117632,6.718464,0,0,0,0,1.134109109,1.532383233,1.181042886,1.11354431,0.444612905,0,0,0,0,167.822565,146.5404998,160.5749511,153.1225477,184.917652,0,0,0,0,1.738970588,2.125,1.7,2,1,0,0,0,0,0.022809858,-0.007216765,0.01702135,-0.050984715,0.029775202,0,0,0,0,427.2917965,-60.32354774,185.9976055,-904.8532161,565.53326,0,0,0,0,794.5673416,-112.1742129,345.8704899,-1682.613194,1051.633246,0,0,0,0,0.083703529,-0.011816969,0.036435654,-0.177254533,0.110784083,0,0,0,0,3.552085711,-0.501470924,1.546202015,-7.522063859,4.701289912,0,0,0,0,19.29498596,-2.723998018,8.398993888,-40.85997027,25.53748142,0,0,0,0,3,-2.25,4.125,-6.75,3.375,0,0,0,0,0.001341756,-4.51E-04,5.67E-04,-0.001416242,5.51E-04,0,0,0,0,25.13481156,-3.770221734,6.199920184,-25.13481156,10.47283815,0,0,0,0,46.73925539,-7.010888308,11.52901633,-46.73925539,19.47468974,0,0,0,0,0.004923737,-7.39E-04,0.001214522,-0.004923737,0.002051557,0,0,0,0,0.208946218,-0.031341933,0.051540067,-0.208946218,0.087060924,0,0,0,0,1.134999174,-0.170249876,0.279966463,-1.134999174,0.472916323,0,0,0,0,0.176470588,-0.140625,0.1375,-0.1875,0.0625,0,0,0,0,-0.336162226,0.422862408,-1.055513609,0.410948394,0,0,0,0,-0.15,0.246666667,-1,0.416666667,0,0,0,0,-0.15,0.246666667,-1,0.416666667,0,0,0,0,-0.15,0.246666667,-1,0.416666667,0,0,0,0,-0.15,0.246666667,-1,0.416666667,0,0,0,0,-0.15,0.246666667,-1,0.416666667,0,0,0,0,-0.796875,0.779166667,-1.0625,0.354166667,0,0,0,0,1.881266148,0.574860964,2.462608686,0,0,0,0,0,1.7,0.906666667,2.266666667,0,0,0,0,0,1.7,0.906666667,2.266666667,0,0,0,0,0,1.7,0.906666667,2.266666667,0,0,0,0,0,1.7,0.906666667,2.266666667,0,0,0,0,0,1.7,0.906666667,2.266666667,0,0,0,0,0,2.375,0.066666667,2.666666667,0,0,0,0,0,13.21110255,6.605551275,8.605551275,13.21110255,2.64222051,6.608188235,0,1.11E-16,2.22E-17,-18.36840028,4000000,800000,7.60090246,13.21110255,6.605551275,8.605551275,13.21110255,2.64222051,6.608188235,0,1.11E-16,2.22E-17,-18.36840028,4000000,800000,7.60090246,13.21110255,6.605551275,8.605551275,13.21110255,2.64222051,6.608188235,0,1.11E-16,2.22E-17,-18.36840028,4000000,800000,7.60090246,13.21110255,6.605551275,8.605551275,13.21110255,2.64222051,6.608188235,0,1.11E-16,2.22E-17,-18.36840028,4000000,800000,7.60090246,13.21110255,6.605551275,8.605551275,13.21110255,2.64222051,6.608188235,0,1.11E-16,2.22E-17,-18.36840028,4000000,800000,7.60090246,13.21110255,6.605551275,8.605551275,13.21110255,2.64222051,6.608188235,0,1.11E-16,2.22E-17,-18.36840028,4000000,800000,7.60090246,18.32737207,9.073686034,11.73668603,18.21937207,3.643874413,9.073857014,-0.18,0,0,0,4000000,800000,7.60090246,0,11.89,12.11005553,-0.160865699,0.060072524,5.749051819,7.648394946,4,16,16,16,4,0,0,0,0,0,13.118484,3.488531903,2.333552793,2.333552793,2.333552793,0.491581102,0.083923071,0.083923071,0.083923071,1.896189934,1.249629723,1.249629723,1.249629723,0.083923071,0.083923071,0.083923071,0.083923071,3.515113137,2.405454588,2.405454588,2.405454588,0.591028181,0.270913902,0.270913902,0.270913902,1.835227416,1.134540686,1.134540686,1.134540686,0.270913902,0.270913902,0.270913902,0.270913902,3.63390493,2.704236987,2.704236987,2.704236987,0.967956913,0.943918427,0.943918427,0.943918427,1.657943416,0.76031856,0.76031856,0.76031856,0.943918427,0.943918427,0.943918427,0.943918427,3.53480624,2.457539916,2.457539916,2.457539916,0.661026396,0.399277246,0.399277246,0.399277246,1.79655539,1.058262671,1.058262671,1.058262671,0.399277246,0.399277246,0.399277246,0.399277246,3.692707108,2.838982085,2.838982085,2.838982085,1.207644823,1.207644823,1.207644823,1.207644823,1.603537667,0.631337262,0.631337262,0.631337262,1.118475382,1.207644823,1.207644823,1.207644823,3.505996902,2.56382137,2.56382137,2.56382137,0.598764148,0.540540541,0.540540541,0.540540541,1.807463753,0.942199748,0.942199748,0.942199748,0.540540541,0.540540541,0.540540541,0.540540541,0,0,0,0,0,4,0,0,1,0,0,0,0,0,0,0,0,0,0,2,0.5,0,0,2,0.5,0,0,0,0,0,0,0,0,4.5,2,3,0,0,0,0,0,0.9,0.5,0.5,0,0,0,0,0,4.5,2,3,0,0,0,0,0,0.9,0.5,0.5,0,0,0,0,0,8.250966823,16.32702112,15.35294118,15.56,9.791326946,131.4268359,0.48535099,0.960413007,0.903114187,0.915294118,0.575960409,7.730990349,2.0524,25.129,6.605551275,8.605551275,13.21110255,2.64222051,6.608188235,1.11E-16,2.22E-17,-18.36840028,4000000,800000,7.60090246,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.8,0,0,0,0,0,0,0,0,0,0,0,8.75,0,0,0,0,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.1875,0,0,0,0,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.1875,0,0,0,0,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.25,1.85,0.2,2.1875,0,0.5,3.9025,0.75,0.1875,1.5,0.75,0.1875,1.5,2.5,0.5,0,0,0.41765,0.7,0.41765,0.41765,0.7,0,0,0,0,0.71429,0,0,0.8,0,0.2,2,0.4,2,0.4,0,0,-2,-0.4,0,0,5,1,5,0,0,2,0.4,2,0,0,0.414,0.0828,0.414,0.0828,0,4,0,0,0,0,0,0,1,0.873981048,1.086312841,1.086312841,0.84587385,0.354706123,0,14.85767782,18.46731829,18.46731829,14.37985545,6.030004086,0,0.213819937,0.265767025,0.265767025,0.206943496,0.086779045,0,3.213481793,3.001150001,3.001150001,3.241588991,3.732756719,4.087462841,0.218495262,0.27157821,0.27157821,0.211468463,0.088676531,0,6.588780814,9.136762326,9.136762326,6.251494438,0.357481709,0,19.83472123,17.48713287,17.48713287,16.04449893,4.256473473,0,5,1,0,5,0,3,2.01,0.8131,3,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,1.857,6,0,0,0,0,0,0,0,0,15,1.609437912,1.945910149,0,0,0,0,0,0,0,0,2.772588722,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,1,2,1,3,0,0,0,0,0,0,0,0,0,0.75,0,0,0,0,0,0,0,0,0,0.75,6.605551275,8.605551275,13.21110255,2.64222051,6.608188235,1.11E-16,2.22E-17,-18.36840028,4000000,800000,7.60090246,0,95.03638183,3.321928095,3.044522438,3.496507561,4.394449155,4.859812404,5.771441123,6.240275845,7.155396302,7.625107148,8.541105011,60.12861699,2.197224577,0,3.496507561,0,4.859812404,0,6.240275845,0,7.625107148,7.913521017,72.09390038,4.24081767,8.5,1.7,0,0,0,16,0,3.161,20,1.2155,2.089680001,2.951054531,3.345220546,0,0,0,0,0,0,65.03495578,82.9226238,35.7286769,3.398958169,0,0,0,0,0,0,257.0304509,332.1578517,338.5940116,103.9819805,0,0,0,0,0,0,8.812494779,14.7919132,21.00452016,22.47474381,0,0,0,0,0,0,1.991404788,2.670940567,3.286129981,1.487328224,0,0,0,0,0,0,176.0959978,330.1405622,451.8729882,618.5903289,0,0,0,0,0,0,2.621375,3.797092162,5.902109062,3.345220546,0,0,0,0,0,0,0.414511875,0.561278171,0.708253087,0.342550584,0,0,0,0,0,0,318.048688,89.62008045,7.468340038,101.2961064,-28.54331913,-5.901015446,216.7525816,118.1633996,13.36935548,0.758441961,0.213714542,0.017809545,0.241558039,-0.068066468,-0.014071989,133.3720616,37.5817142,3.131809517,42.47799488,-11.96949229,-2.474560108,0.083333333,0.214040178,2.912736355,9.868049077,419.3447943,0,1,0,248.3262766,15.75837163,6.285515363,364.5707096,19.09373482,7.143766615,388.0098072,19.69796454,7.293694481,1.174792123,1.174792123,111.5585111,111.5578554,111.5569507,1.000005878,1.000013988,1.00000811,3.118319096,2.151830091,4.101713045,0.906150984,3.346806641,3.794192617,2.341218372,11.50449954,1.143433969,0.645864664,4.265803745,1.55E-06,1.08E-34,1.46E-84,3.80E-156,1.91E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.28087429,3.793901775,0.108501027,6.370526232,0.022508231,0.005283852,0.030044405,1.09E-08,7.62E-37,1.03E-86,2.68E-158,1.34E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.906696446,3.793921682,0.408227865,7.418479637,0.121059099,0.049291103,0.31308586,1.14E-07,7.94E-36,1.07E-85,2.79E-157,1.40E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.15911246,3.794160852,2.149338884,11.19020137,1.028732158,0.575959861,3.800754337,1.38E-06,9.64E-35,1.30E-84,3.38E-156,1.70E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336303737,3.793947064,0.660306027,8.137866795,0.227386282,0.10525826,0.680064324,2.47E-07,1.73E-35,2.33E-85,6.06E-157,3.04E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041753714,3.794326077,3.114330541,12.66820418,1.620443004,0.939535631,6.221273855,2.26E-06,1.58E-34,2.13E-84,5.54E-156,2.78E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.955767212,2.771379256,0.771489888,10.17073539,0.389029481,0.191504655,1.246399925,4.52E-07,3.16E-35,4.27E-85,1.11E-156,5.57E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.271438023,1.271421825,1.271410086,0.33333719,0.333332944,0.467509755,0.514625393,0.50476374,3.814269934,4.84955171,10.71909934,5.79E-06,1.486898889,0.773613241,0.773600693,0.773591598,0.333338244,0.333332837,0.173080488,0.190522207,0.186870322,2.320805532,1.795379439,4.579154586,7.37E-06,0.550473017,0.982980593,0.982966509,0.982956302,0.333337671,0.333332895,0.279441042,0.30760213,0.301706918,2.948903404,2.898677096,6.797349251,6.51E-06,0.88875009,1.260225045,1.260208929,1.260197249,0.333337205,0.333332942,0.459300058,0.505588274,0.495899762,3.780631223,4.764390814,10.54640033,5.81E-06,1.460788093,1.071156777,1.071142048,1.071131372,0.333337497,0.333332913,0.331822919,0.365263292,0.358263302,3.213430197,3.442044544,7.884449172,6.24E-06,1.055349512,1.306213917,1.306197464,1.30618554,0.333337147,0.333332948,0.493433804,0.543162225,0.532753839,3.91859692,5.118467274,11.26564309,5.72E-06,1.569349868,1.261865304,1.261849155,1.261837451,0.333337208,0.333332942,0.460496449,0.506905227,0.497191472,3.785551909,4.776801085,10.57155616,5.81E-06,1.464593149 +UMLRON0083,L,"2,2-Dimethylpropane",CC(C)(C)C,10041,"""neopentane""","Sandia, UML",[1],C5H12,PubChem,,85.5,0,2.1291,4.53306681,33.3946,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1531.545633,1380.178806,481.578048,54.867456,0,0,0,3461.958223,4376.887272,6343.167377,7546.541765,5529.286689,1678.522199,0,0,0,160.279036,159.125208,296.75898,384.494424,558.565632,362.797056,0,0,0,26.63610648,34.55010896,51.81309115,66.16993845,60.09517588,24.00909686,0,0,0,3846.242925,3210.7269,6671.119844,8301.419053,13833.70606,9985.553209,0,0,0,39.34027778,45.83333333,68.5,103.5,117,54,0,0,0,44.61329874,48.14991518,36.46537221,25.55886678,5.945408,1.016064,0,0,0,150.5199227,198.9494215,151.0277947,139.7507734,68.26279863,31.08374443,0,0,0,6.968653739,7.232964,7.06569,7.120267111,6.895872,6.718464,0,0,0,1.158091586,1.570459498,1.233645027,1.225369231,0.741915752,0.444612905,0,0,0,167.2279533,145.9421318,158.8361868,153.7299825,170.7864946,184.917652,0,0,0,1.71044686,2.083333333,1.630952381,1.916666667,1.444444444,1,0,0,0,0.030588158,-0.009555993,0.016606589,-0.02663582,-0.025211088,0.029502233,0,0,0,589.5388264,-58.58770946,234.1219796,-657.738582,-418.1240046,605.5589032,0,0,0,1096.272622,-108.9463475,435.3598184,-1223.09298,-777.5194411,1126.062639,0,0,0,0.115486609,-0.01147693,0.045862888,-0.128846473,-0.081907622,0.118624832,0,0,0,4.900848691,-0.487040864,1.946260952,-5.467794697,-3.475873664,5.034023928,0,0,0,26.62148787,-2.645613702,10.57212038,-29.70114757,-18.88100091,27.34489787,0,0,0,3.818236715,-2.62505251,2.877205419,-1.377599244,-3.965855388,3.182183365,0,0,0,0.00132992,-4.34E-04,3.95E-04,-4.93E-04,-3.11E-04,5.46E-04,0,0,0,25.63212289,-2.663077703,5.574332848,-12.18034411,-5.162024748,11.21405376,0,0,0,47.66402704,-4.952106706,10.36570996,-22.64986999,-9.599005446,20.85301183,0,0,0,0.005021157,-5.22E-04,0.001091974,-0.002386046,-0.001011205,0.002196756,0,0,0,0.213080378,-0.022138221,0.046339546,-0.101255457,-0.042912021,0.093222665,0,0,0,1.157455995,-0.120255168,0.251717152,-0.550021251,-0.233098777,0.506386998,0,0,0,0.166010292,-0.119320569,0.068504891,-0.025511097,-0.048961178,0.058929322,0,0,0,-0.326608638,0.297307362,-0.370891452,-0.234035141,0.41080492,0,0,0,-0.103896104,0.21747449,-0.475198413,-0.201388889,0.4375,0,0,0,-0.103896104,0.21747449,-0.475198413,-0.201388889,0.4375,0,0,0,-0.103896104,0.21747449,-0.475198413,-0.201388889,0.4375,0,0,0,-0.103896104,0.21747449,-0.475198413,-0.201388889,0.4375,0,0,0,-0.103896104,0.21747449,-0.475198413,-0.201388889,0.4375,0,0,0,-0.718754044,0.412654481,-0.15367178,-0.294928568,0.354973905,0,0,0,1.865358531,0.68757046,1.680400774,1.140016188,2.22E-05,0,0,0,1.642857143,0.968112245,1.756944444,1.003968254,0,0,0,0,1.642857143,0.968112245,1.756944444,1.003968254,0,0,0,0,1.642857143,0.968112245,1.756944444,1.003968254,0,0,0,0,1.642857143,0.968112245,1.756944444,1.003968254,0,0,0,0,1.642857143,0.968112245,1.756944444,1.003968254,0,0,0,0,2.317096315,0.394410429,1.513812009,1.280404871,0,0,0,0,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,36.10604471,17.91284378,26.4792645,35.90578961,5.129398515,17.91284381,-0.280357143,0.059904311,0.008557759,-1.97050477,17.90059046,2.557227209,2.019383589,0,11.89,12.11009426,-0.158279836,0.063161064,6.069125,8.904305318,6,22,22,22,6,0,0,0,0,0,17.491312,3.592210092,2.93473753,2.333552793,2.333552793,2.333552793,1.348564318,0.407859446,0.083923071,1.94842146,1.567579594,1.249629723,1.249629723,1.249629723,0.515601121,0.083923071,0.083923071,3.614885488,2.979392306,2.405454588,2.405454588,2.405454588,1.443680088,0.523383986,0.270913902,1.893841151,1.480174507,1.134540686,1.134540686,1.134540686,0.374584505,0.270913902,0.270913902,3.71701589,3.173591803,2.704236987,2.704236987,2.704236987,1.833306235,0.962616639,0.943918427,1.737865518,1.211712533,0.76031856,0.76031856,0.76031856,0.094802763,0.943918427,0.943918427,3.631722385,3.012216013,2.457539916,2.457539916,2.457539916,1.512321251,0.604822485,0.399277246,1.859471835,1.423475741,1.058262671,1.058262671,1.058262671,0.280302821,0.399277246,0.399277246,3.768138429,3.266108607,2.838982085,2.838982085,2.838982085,2.005337396,1.207644823,1.207644823,1.690770406,1.124849596,0.631337262,0.631337262,0.631337262,0.260760981,1.138209059,1.207644823,3.583739518,3.07441959,2.588679096,2.588679096,2.588679096,1.529446746,0.602848506,0.556291391,1.893648603,1.343323548,0.919804923,0.919804923,0.919804923,0.222356381,0.556291391,0.556291391,0,0,0,0,0,5,0,1,1,0,0,0,0,0,0,0,0,0,0,1.654700538,0.288675135,0.866025404,0.288675135,1.654700538,0.288675135,0.866025404,0.288675135,2.598076211,0.577350269,0,2.598076211,0.577350269,0,6.077350269,2.943375673,3.520725942,1.732050808,0,0,0,0,0.868192896,0.490562612,0.391191771,0.288675135,0,0,0,0,6.077350269,2.943375673,3.520725942,1.732050808,0,0,0,0,0.868192896,0.490562612,0.391191771,0.288675135,0,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.6885,34.293,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,11.28472222,0,0,0,0,0,0.798611111,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.25,0,0,0,0,0,0.798611111,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.261574074,0,0,0,0,0,0.798611111,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.58333333,1.797619048,0.2,2.261574074,0,0.5,5.336909722,0.75,0.261574074,2.569444444,0.75,0.261574074,2.569444444,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.71429,0.14286,0.14286,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,8.30939,1.18706,8.30939,0,0,2.94337,0.42048,2.94337,0,0,0.47063,0.06723,0.47063,0.06723,0,6,0,0,0,0,0,0,1,0.886540893,1.236186283,1.681899068,2.315127716,1.921774503,1.035405623,20.39044053,28.43228451,38.68367855,53.24793747,44.20081356,23.81432932,0.195982923,0.273277186,0.371808562,0.511793082,0.42483656,0.228891664,3.637021063,3.287375673,2.841662889,2.20843424,2.601787454,3.488156333,0.19880132,0.27720714,0.377155479,0.519153093,0.430946064,0.232183316,6.634953582,10.83069827,13.60008547,14.23826915,9.518030588,1.043507705,27.76507516,22.54607319,19.16553126,20.93436246,18.57424318,7.801485814,7,1.851851852,2.666666667,7,0,4,2.23,1.0949,3.920263408,0,3.298769777,3.789291416,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.131,0.009,0.004,2.627,9,6,0,0,0,0,0,0,0,28,1.945910149,2.302585093,1.945910149,0,0,0,0,0,0,0,3.36729583,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,6,1,0,2,3,0.5,3.5,1.333333333,0,0,0,0,0,0,0,0,0.583333333,0.148148148,0,0,0,0,0,0,0,0,0.731481481,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,0,129.6283511,3.807354922,3.433987204,4.110873864,4.934473933,5.666426688,6.475432717,7.221835825,8.026496939,8.776630098,9.580040124,71.22619739,2.564949357,0,3.891820298,0,5.379897354,0,6.91671502,0,8.466531277,8.706821323,100.1252005,4.353269587,12.29305504,1.75615072,0,0,0,42,6,4.238,30,1.224818182,2.109270524,2.951680438,3.454650488,3.913077987,0,0,0,0,0,69.72220731,88.72455476,79.7464231,21.19017043,3.975937672,0,0,0,0,0,268.787596,351.9329754,424.3186102,240.7331816,121.6331161,0,0,0,0,0,8.893455721,14.97766252,21.04161946,23.84625228,26.28987359,0,0,0,0,0,2.059771149,2.80470988,3.687583662,2.602315071,1.739804971,0,0,0,0,0,176.6115071,329.7128201,452.0018764,588.1417883,723.5971936,0,0,0,0,0,2.588977273,3.627320952,5.748036126,5.048734536,3.913077987,0,0,0,0,0,0.427911136,0.588223049,0.782919996,0.573102175,0.400699186,0,0,0,0,0,342.4271852,130.4788689,8.116067026,101.5476956,-38.69385678,-5.796802571,240.8794896,169.1727257,13.9128696,0.771276034,0.293887953,0.018280464,0.228723966,-0.087153257,-0.0130566,152.0290687,57.92934027,3.60332989,45.08462602,-17.17910045,-2.57363473,0.078876995,0.163203804,1.326139724,7.088037123,443.9748807,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,669.3452909,25.87170831,8.747488981,1.095700112,1.095700112,263.0597656,215.3646754,165.3093865,1.221461993,1.591317778,1.30279762,3.637217467,3.220218461,5.261260744,0.633821061,4.462408855,5.691187896,2.838021923,31.37300548,4.13368779,4.853544508,10.19774657,13.31665696,4.946205101,0.01337715,7.94E-24,9.09E-67,2.01E-131,8.55E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851902,0.150027288,10.09099914,2.016656515,0.105484909,0.688668416,0.642338515,0.034836527,9.42E-05,5.59E-26,6.40E-69,1.41E-133,6.03E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690874984,0.54238975,13.2833959,2.184108306,0.539358425,2.134850283,2.386693723,0.36302347,9.82E-04,5.83E-25,6.67E-68,1.47E-132,6.28E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.69115123,2.618165909,29.66269788,3.91044984,4.373497933,9.440555381,12.24260957,4.406979696,0.0119188,7.08E-24,8.10E-67,1.79E-131,7.62E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690904339,0.858147305,15.81684405,2.377647511,0.996142624,3.274532199,3.834366846,0.788535486,0.002132616,1.27E-24,1.45E-67,3.20E-132,1.36E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691341932,3.714837547,38.16812044,5.06655274,6.845960596,13.20004339,17.63188057,7.213575288,0.019509317,1.16E-23,1.33E-66,2.93E-131,1.25E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.704336019,4.256075768,1.054784201,19.64477258,3.169610386,1.788023979,5.263983409,6.329010249,1.530653182,0.004139694,2.46E-24,2.81E-67,6.21E-132,2.65E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.145920909,1.661374042,1.067828051,0.440177798,0.340786077,0.583636037,0.606390022,0.455537188,4.875123002,7.63071364,16.31283296,0.171445813,1.645563248,1.563560077,1.063578484,0.588266478,0.486271576,0.330775896,0.313998379,0.248517108,0.141443713,3.215405039,3.208426404,7.402100274,0.229407365,0.7039592,1.804564262,1.311184862,0.787109591,0.462369866,0.33595499,0.415745816,0.377698325,0.250783718,3.902858715,4.818553362,10.58380573,0.197487285,1.044227859,2.13244559,1.647560472,1.056764982,0.440882062,0.340632305,0.576481191,0.596348228,0.446372078,4.836771044,7.507911101,16.0574495,0.172271551,1.619201497,1.907750409,1.417101191,0.872072922,0.454559142,0.337652294,0.463561223,0.441183165,0.306602276,4.196924522,5.602988427,12.15754062,0.188317153,1.211346664,2.187820796,1.704320559,1.102218241,0.438058324,0.341249068,0.606159754,0.638145589,0.484594954,4.994359596,8.01873716,17.12299078,0.168961089,1.728900296,2.136550383,1.651655338,1.058166822,0.440855581,0.340802388,0.578519861,0.599316254,0.447286699,4.846372543,7.537398453,16.11787753,0.172486954,1.625122814 +UMLRON0084,L,"2,2,3-Trimethylbutane",CC(C)C(C)(C)C,10044,Sandia values were badly (error with coding) averaged but we have values from source [9] as well so maybe just use these; opting for source [9],"Sandia, UML",[9],C7H16,PubChem,,112.1,0,1.2808,1.64044864,42.3047,29.602274,0,0,28,10,18,0,10,0,0,0,0,0,0,0,0,0,1460.930362,1804.832915,2683.631344,2545.473349,1394.579933,364.571424,33.530112,0,0,4794.676417,6723.945014,10591.37385,12198.83692,9420.489571,4506.255503,1025.763566,0,0,196.337512,211.063052,414.798784,589.87426,696.713396,514.263168,221.709312,0,0,35.89203229,50.72169758,83.36408416,103.5008992,90.96715903,50.7381844,14.67222586,0,0,4596.461297,4150.943776,8841.397953,12875.62664,16547.8033,13042.15119,6102.282517,0,0,43.64583333,54.02777778,91.11111111,131.8194444,141.75,96,33,0,0,52.17608436,62.23561776,46.26950593,30.6683536,13.94579933,4.86095232,1.016064,0,0,171.2384435,231.8601729,182.609894,146.9739388,94.20489571,60.0834067,31.08374443,0,0,7.012054,7.278036276,7.151703172,7.106918795,6.96713396,6.85684224,6.718464,0,0,1.281858296,1.749024054,1.437311796,1.246998786,0.90967159,0.676509125,0.444612905,0,0,164.159332,143.1359923,152.4378957,155.1280318,165.478033,173.8953492,184.917652,0,0,1.558779762,1.86302682,1.570881226,1.588186078,1.4175,1.28,1,0,0,0.034845978,-0.005205208,0.006758152,-0.018323082,-0.017850773,-0.002342205,0.019540127,0,0,778.2814864,50.03238127,151.950195,-603.4769938,-531.2079987,33.97260457,509.5890685,0,0,1447.247658,93.03734943,282.5578761,-1122.191239,-987.8039569,63.17350887,947.6026331,0,0,0.15246,0.009801,0.029766,-0.118217,-0.10406,0.006655,0.099825,0,0,6.469870403,0.41592024,1.263165174,-5.016716971,-4.415943291,0.282414978,4.236224668,0,0,35.14443871,2.259285346,6.861533272,-27.25088621,-23.98747404,1.534082642,23.01123963,0,0,2.965029762,-1.47246138,1.103936366,-1.017369969,-0.338647959,-1.149633291,1.391661352,0,0,0.001244499,-1.79E-04,1.17E-04,-2.21E-04,-1.79E-04,-3.12E-05,5.92E-04,0,0,27.79576737,1.725254527,2.619830948,-7.270807155,-5.312079987,0.452968061,15.44209298,0,0,51.68741635,3.208184463,4.871687518,-13.52037638,-9.878039569,0.842313452,28.71523131,0,0,0.005445,3.38E-04,5.13E-04,-0.001424301,-0.0010406,8.87E-05,0.003025,0,0,0.2310668,0.014342077,0.02177871,-0.060442373,-0.044159433,0.003765533,0.128370444,0,0,1.255158525,0.077906391,0.118302298,-0.32832393,-0.23987474,0.020454435,0.697310292,0,0,0.10589392,-0.05077453,0.019033386,-0.01225747,-0.00338648,-0.015328444,0.042171556,0,0,-0.144226641,0.093627917,-0.17738864,-0.143437397,-0.025093952,0.475793837,0,0,0.062068966,0.094252874,-0.261579652,-0.191111111,0.016296296,0.555555556,0,0,0.062068966,0.094252874,-0.261579652,-0.191111111,0.016296296,0.555555556,0,0,0.062068966,0.094252874,-0.261579652,-0.191111111,0.016296296,0.555555556,0,0,0.062068966,0.094252874,-0.261579652,-0.191111111,0.016296296,0.555555556,0,0,0.062068966,0.094252874,-0.261579652,-0.191111111,0.016296296,0.555555556,0,0,-0.47948485,0.179740117,-0.115752344,-0.031979925,-0.144752823,0.398243413,0,0,1.517013366,0.923657217,1.269896879,1.103862377,0.860441528,0.003445469,0,0,1.303448276,1.086206897,1.36626506,1.092,0.728,0,0,0,1.303448276,1.086206897,1.36626506,1.092,0.728,0,0,0,1.303448276,1.086206897,1.36626506,1.092,0.728,0,0,0,1.303448276,1.086206897,1.36626506,1.092,0.728,0,0,0,1.303448276,1.086206897,1.36626506,1.092,0.728,0,0,0,1.96689309,0.601297971,1.200362806,1.007051443,1.143327478,0,0,0,42.91636531,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,-1.07E-14,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,42.91636531,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,-1.07E-14,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,42.91636531,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,-1.07E-14,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,42.91636531,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,-1.07E-14,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,42.91636531,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,-1.07E-14,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,42.91636531,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,-1.07E-14,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,52.72150894,25.65731701,36.25203536,52.53175894,5.253175894,25.65731701,-0.31625,0.023459735,0.002345973,-3.752469737,115.1035612,11.51035612,4.745832255,0,11.89,12.11015511,-0.155175387,0.067055821,6.396554148,9.725762946,11,29,29,29,11,0,0,0,0,0,19.677726,3.877852129,3.141473347,2.809343081,2.607986348,2.333552793,2.090350762,1.472303479,1.192235244,2.131269708,1.638904328,1.429675359,1.288705716,1.249629723,0.948103196,0.60237069,0.444993627,3.894013269,3.173833049,2.850132729,2.655884336,2.405454588,2.154972153,1.560801638,1.294481877,2.091941219,1.565065938,1.340101534,1.195114274,1.134540686,0.83649063,0.463147758,0.295679407,3.966353414,3.319119613,3.033883139,2.865101297,2.704236987,2.428760712,1.932525422,1.715561448,1.981087775,1.348572937,1.071039608,0.906225724,0.76031856,0.481029845,0.002351494,0.206850741,3.905980595,3.197855696,2.880481777,2.691164893,2.457539916,2.202105413,1.625285409,1.368525297,2.0673541,1.518028111,1.282403702,1.134262009,1.058262671,0.763105901,0.37016533,0.195402502,4.00249394,3.391154406,3.124586202,2.964886945,2.838982085,2.554791317,2.100058383,1.90100136,1.947803106,1.281918617,0.986856831,0.812519708,0.631337262,0.361219123,0.158354443,0.386105846,3.861539028,3.288758461,2.980497503,2.759036659,2.713284429,2.291313705,1.718121473,1.472022545,2.101962664,1.419085373,1.166523996,1.019042412,0.808522524,0.633731788,0.231313786,0.047145469,0,0,0,0,0,3,3,3,1,0,0.11785113,0.387076975,0.759946456,1.178528219,0,0.11785113,0.387076975,0.759946456,1.178528219,1.40857456,0.166666667,0.648271461,0.151374715,1.40857456,0.166666667,0.648271461,0.151374715,3.260153798,4.31544863,4.893089478,3.260153798,4.31544863,4.893089478,7.353371151,4.621027034,4.915120116,4.203665235,3.059150443,2.048616017,1.145707649,0.340206909,0.735337115,0.420093367,0.273062229,0.168146609,0.109255373,0.068287201,0.05207762,0.034020691,7.353371151,4.621027034,4.915120116,4.203665235,3.059150443,2.048616017,1.145707649,0.340206909,0.735337115,0.420093367,0.273062229,0.168146609,0.109255373,0.068287201,0.05207762,0.034020691,14.87645023,26.99053168,25.52941176,25.84,17.18699042,213.9969904,0.531301794,0.96394756,0.911764706,0.922857143,0.613821086,7.642749658,3.0786,43.776,47.52016661,65.02412399,95.04033322,9.504033322,47.52016661,0.004736954,4.74E-04,-5.352360875,61.98482058,6.198482058,4.126889526,74,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,3,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,7.351967593,0,4.539282407,0,0,0,3.152731481,0,0,0,0,0,0.706018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.432337963,0,1.498773148,0,0,0,1.013888889,0,0,0,0,0,0.706018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.459814815,0,1.53587963,0,0,0,1.0775,0,0,0,0,0,0.706018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.75,1.575,0.2,2.459814815,0,0.706018519,6.876869537,0.543981481,0.459814815,2.784953704,0.543981481,0.459814815,2.784953704,5,0.5,0,0,0.44286,0.7,0.44286,0.44286,0.7,0,0,0,0,0.71429,0,0,0.3,0.3,0.1,5.5,0.55,5.5,0.55,0,0,-5.5,-0.55,0,0,12.14436,1.21444,12.14436,0,0,4.62101,0.4621,4.62101,0,0,0.29299,0.0293,0.37899,0.0379,0.25,31,0,0,0,0,0,0,1,0.940285959,1.617236617,2.921855368,3.556656707,3.56610894,3.726474118,26.32800684,45.28262529,81.8119503,99.58638781,99.85105032,104.3412753,0.195593205,0.336408824,0.607788569,0.739836514,0.741802716,0.775161014,3.867068963,3.190118305,1.885499554,1.250698215,1.241245982,1.080880804,0.193554886,0.332903035,0.601454672,0.732126517,0.734072229,0.767082893,6.779097864,14.90250577,20.24701057,20.59042727,21.6814608,21.05792549,39.20654966,27.04996415,21.33776057,19.98196142,18.27438233,18.74770701,6.694214876,1.777777778,0.7168,0,0,0,2.56,1.3004,0.944940787,2.94389819,4.112265279,2.080083823,1.650963624,5.853800636,1.310370697,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0.003,0.162,0.171,0.231,0.39,4.38,18,25,28,30,22,10,2,0,0,156,2.48490665,2.944438979,3.258096538,3.36729583,3.433987204,3.135494216,2.397895273,1.098612289,0,0,5.056245805,1,0.25,1,0,1,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,3,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.272727273,1,3,4,0.333333333,3.5,2.222222222,1.75,0.444444444,0,0,0,0,0,0,0.318181818,0.138888889,0.134615385,0.088888889,0,0,0,0,0,0,0.680574981,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,0,156.8033876,4.321928095,4.077537444,4.976733742,5.92157842,6.844815479,7.791109511,8.718500048,9.665293813,10.593555,11.5405309,91.12965436,3.135494216,0,4.634728988,0,6.385194399,0,8.219056661,0,10.08008442,10.25058175,138.1408506,4.933601806,19.92298566,1.992298566,0,0,0,102,13,5.143,58,1.260842657,2.167003007,2.955146456,3.574897206,4.212033248,5.186224903,0,0,0,0,90.59663351,110.4976145,95.29626222,54.69649831,22.31472655,5.26953642,0,0,0,0,320.6742364,423.6950824,448.4549007,351.764085,266.9530746,161.2072895,0,0,0,0,9.215264295,15.55615877,21.03721071,24.945452,28.94747784,34.84346531,0,0,0,0,2.358982158,3.281636586,3.773703597,3.347022889,2.960468694,2.30586252,0,0,0,0,178.0559739,326.2078364,455.8455877,588.7173757,727.1775171,959.024532,0,0,0,0,2.382355539,3.51573154,4.769943067,5.164893552,5.548859049,5.186224903,0,0,0,0,0.486432098,0.683942693,0.797675148,0.722958774,0.655062536,0.53106943,0,0,0,0,357.934741,166.0352231,9.157119668,94.09436517,-43.64756233,-4.820295954,263.8403758,209.6827855,13.97741562,0.79184003,0.367310912,0.02025781,0.20815997,-0.096559186,-0.010663685,161.796921,75.0527535,4.139284618,42.53339178,-19.72996858,-2.178914071,0.066548185,0.133972909,0.942196585,1.360885345,452.0291062,0,1,0,703.4706294,26.52302074,8.89369005,877.8372789,29.62831887,9.574982892,1348.404062,36.72062176,11.0477376,1.376517016,1.141905171,442.346099,408.5283359,238.959022,1.08277948,1.851137887,1.709616705,3.994938874,3.701688834,6.581109411,0.777866727,5.048512244,9.218822216,8.467001606,27.94238282,15.336863,16.22938238,16.7966155,18.03409271,7.014014333,4.574372155,2.878290981,0.785227345,2.40E-08,2.14E-37,3.68E-88,1.22E-160,7.81E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421510783,8.913529534,1.917929567,9.554882134,1.690753089,0.994909456,2.192824417,1.404537911,0.818123693,0.093121963,0.02262889,0.00553042,1.69E-10,1.51E-39,2.59E-90,8.60E-163,5.50E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,1.362121909,8.933930478,3.037670306,12.33891175,3.402447491,3.20320695,4.169446444,3.455663246,1.50341876,0.492207908,0.217305479,0.057631245,1.76E-09,1.57E-38,2.70E-89,8.96E-162,5.74E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,4.763885515,9.185303995,7.989281884,26.47382421,14.12159454,14.97785934,15.54728564,16.54082069,6.429727345,4.117619441,2.566128276,0.699623428,2.13E-08,1.90E-37,3.28E-88,1.09E-160,6.96E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,2.008967632,8.960380755,3.87078816,14.53785158,4.896295851,4.986773286,5.82453981,5.262556395,2.145893628,0.919269937,0.466216871,0.125182764,3.82E-09,3.41E-38,5.86E-89,1.95E-161,1.25E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,6.103906784,9.359761663,10.32297224,33.76911905,20.26776147,21.22527262,21.82573384,24.10258641,9.410104321,6.472639025,4.190029495,1.145180286,3.49E-08,3.12E-37,5.36E-88,1.78E-160,1.14E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,3.496787887,7.728828666,4.929302276,18.73341482,7.752540201,8.413323313,10.14178666,9.454697381,4.340116005,2.163394832,1.172667055,0.316544155,9.66E-09,8.62E-38,1.48E-88,4.92E-161,3.15E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,3.103301526,1.539755243,1.347967338,0.517991828,0.257010357,0.466128244,0.426179363,0.429449363,5.991024108,11.03701367,23.46906353,0.276987741,1.32175697,2.215040748,0.988503566,0.744340074,0.561070318,0.250388175,0.237042895,0.181884788,0.133041431,3.947884389,4.574102092,10.1517754,0.341605476,0.551969114,2.55622559,1.199622052,0.976992453,0.540103941,0.253467691,0.315924411,0.263975579,0.227786573,4.732840095,6.735939388,14.46473132,0.310155912,0.807686562,3.080103368,1.525279105,1.332299129,0.518738386,0.256881256,0.459165346,0.418488535,0.419664211,5.937681602,10.83376437,23.03061034,0.278107578,1.297318091,2.713119531,1.296929444,1.083672573,0.532639938,0.254613338,0.356011266,0.306553974,0.27941531,5.093721548,7.864304695,16.77117159,0.298959907,0.94198055,3.176348793,1.585375208,1.397262321,0.515725905,0.257408464,0.488396881,0.450909959,0.46098599,6.158986322,11.68908216,24.88426881,0.273588857,1.40029283,3.098522183,1.52840047,1.337695872,0.519483714,0.256244463,0.464705686,0.420013351,0.423096793,5.964618525,10.92519809,23.22485367,0.279225571,1.307815831 +UMLRON0085,L,"4,6,6-trimethylbicyclo[3.1.1]heptane",CC1CCC2CC1C2(C)C,10129,Sandia and co-optima database values from Sinor report could not varify this so I think we should use UML values,"Sandia, UML",[1],C10H18,PubChem,,77.7,0,3.189,10.169721,48.0838,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2225.60387,2383.926398,1452.821334,498.674905,97.028064,9.144576,0,4670.34144,5841.481647,8138.02742,9402.41886,8234.961463,4618.93496,1434.429565,279.7536999,0,169.463656,175.052008,300.070904,325.814648,427.200216,454.619044,203.948928,60.466176,0,34.11358067,43.47862034,62.19666382,72.8955422,72.85120431,49.08095535,17.35197558,4.001516144,0,3856.790689,3411.659229,6444.093573,6553.715069,9220.154339,11319.76903,5356.758935,1664.258868,0,49.11111111,60.33333333,86.22222222,104.4444444,120,93,36,9,0,60.70275442,67.17251842,52.99056833,52.97614218,24.2136889,7.555680379,3.2342688,1.016064,0,194.59756,243.3950686,193.7625576,208.9426413,137.2493577,69.98386303,47.81431882,31.08374443,0,7.060985667,7.293833667,7.144545333,7.240325511,7.1200036,6.888167333,6.7982976,6.718464,0,1.421399194,1.811609181,1.480872948,1.619900938,1.214186738,0.743650839,0.578399186,0.444612905,0,160.6996121,142.1524679,153.4307994,145.6381126,153.669239,171.5116519,178.5586312,184.917652,0,2.046296296,2.513888889,2.052910053,2.320987654,2,1.409090909,1.2,1,0,0.038346943,0.001951,0.01105773,-0.016371542,-0.047873149,0.007484154,0.017641948,0.006936387,0,706.2183858,-7.82E-14,358.15361,-285.0095629,-1039.149911,95.84392379,327.8871077,189.1656391,0,1313.243245,1.28E-13,666.0019314,-529.9874525,-1932.343632,178.225869,609.7200781,351.7615835,0,0.138343333,2.23E-15,0.070159833,-0.055831417,-0.203562333,0.018775167,0.064230833,0.03705625,0,5.870808328,1.39E-14,2.977338509,-2.369290504,-8.638475112,0.796752559,2.725732438,1.572537945,0,31.89032402,-1.07E-13,16.17295004,-12.87002362,-46.92433391,4.327972545,14.80622186,8.542051076,0,4.648148148,-1.37037037,2.513888889,-0.020833333,-6.583333333,0.217592593,1.74537037,1.173611111,0,0.001597789,8.13E-05,2.63E-04,-3.64E-04,-7.98E-04,1.13E-04,5.88E-04,7.71E-04,0,29.42576608,-3.26E-15,8.527466904,-6.333545841,-17.31916518,1.452180664,10.92957026,21.01840434,0,54.71846854,5.33E-15,15.85718884,-11.77749894,-32.2057272,2.700391954,20.3240026,39.08462039,0,0.005764306,9.28E-17,0.001670472,-0.001240698,-0.003392706,2.84E-04,0.002141028,0.004117361,0,0.244617014,5.81E-16,0.070889012,-0.0526509,-0.143974585,0.012072008,0.090857748,0.174726438,0,1.328763501,-4.44E-15,0.385070239,-0.286000525,-0.782072232,0.065575342,0.493540729,0.949116786,0,0.19367284,-0.057098765,0.059854497,-4.63E-04,-0.109722222,0.003296857,0.058179012,0.130401235,0,0.050877596,0.164777229,-0.227697139,-0.499368616,0.070970735,0.368049111,0.482360052,0,-1.11E-16,0.289795918,-0.215238095,-0.588571429,0.049350649,0.371428571,0.714285714,0,9.74E-17,0.289795918,-0.215238095,-0.588571429,0.049350649,0.371428571,0.714285714,0,1.61E-14,0.289795918,-0.215238095,-0.588571429,0.049350649,0.371428571,0.714285714,0,2.37E-15,0.289795918,-0.215238095,-0.588571429,0.049350649,0.371428571,0.714285714,0,-3.34E-15,0.289795918,-0.215238095,-0.588571429,0.049350649,0.371428571,0.714285714,0,-0.294820717,0.309049516,-0.002390438,-0.566533865,0.017022818,0.300398406,0.673306773,0,1.042489875,0.853117715,1.398634313,1.53212258,0.75820756,0.341390039,0,0,1.15,0.751020408,1.314285714,1.577142857,0.776623377,0.394285714,0,0,1.15,0.751020408,1.314285714,1.577142857,0.776623377,0.394285714,0,0,1.15,0.751020408,1.314285714,1.577142857,0.776623377,0.394285714,0,0,1.15,0.751020408,1.314285714,1.577142857,0.776623377,0.394285714,0,0,1.15,0.751020408,1.314285714,1.577142857,0.776623377,0.394285714,0,0,1.511952191,0.549800797,1.014077025,1.667729084,0.849692141,0.494820717,0,0,35.33244653,17.66622327,23.70303142,35.33244653,3.533244653,17.66622336,-2.49E-14,3.61E-16,3.61E-17,-35.55814557,44.91843988,4.491843988,3.804848398,35.33244653,17.66622327,23.70303142,35.33244653,3.533244653,17.66622336,-2.49E-14,3.61E-16,3.61E-17,-35.55814557,44.91843988,4.491843988,3.804848398,35.33244653,17.66622327,23.70303142,35.33244653,3.533244653,17.66622336,-2.49E-14,3.61E-16,3.61E-17,-35.55814557,44.91843988,4.491843988,3.804848398,35.33244653,17.66622327,23.70303142,35.33244653,3.533244653,17.66622336,-2.49E-14,3.61E-16,3.61E-17,-35.55814557,44.91843988,4.491843988,3.804848398,35.33244653,17.66622327,23.70303142,35.33244653,3.533244653,17.66622336,-2.49E-14,3.61E-16,3.61E-17,-35.55814557,44.91843988,4.491843988,3.804848398,35.33244653,17.66622327,23.70303142,35.33244653,3.533244653,17.66622336,-2.49E-14,3.61E-16,3.61E-17,-35.55814557,44.91843988,4.491843988,3.804848398,39.97889398,19.7763426,26.92250745,39.94149166,3.994149166,19.77634261,-0.08,0.001201837,1.20E-04,-6.723904361,46.22418591,4.622418591,3.833503166,0,11.85,12.1501118,-0.208324148,0.091801547,6.31734375,9.073764748,10,24,21,18,4,3,0,0,0,6,15.304898,3.86608836,3.074108768,2.930341262,2.526189969,2.414345328,1.752003504,1.727886093,0.642274226,2.026218595,1.543722231,1.457339391,1.342058293,1.191515532,0.529337856,0.493106069,0.083923071,3.874881016,3.100516907,2.960308976,2.58738709,2.473602253,1.816107662,1.789198531,0.75812932,1.997853511,1.467781577,1.373278009,1.235749843,1.092367894,0.418650007,0.40848047,0.259512969,3.916338787,3.227667877,3.104192224,2.847252568,2.724040832,2.071891253,2.041320332,1.215779999,1.925239687,1.254997295,1.135020999,0.896989736,0.771663849,0.117830704,0.088644508,0.705413466,3.881496846,3.12059166,2.983069863,2.632047319,2.516796779,1.861974594,1.833409531,0.841353756,1.98083883,1.420105698,1.320218527,1.165802121,1.02672174,0.351281176,0.348173596,0.338064813,3.938468372,3.29530796,3.180415135,2.967233885,2.838709674,2.181157343,2.155493005,1.400331531,1.905361359,1.193850758,1.06599297,0.78304047,0.662390182,0.011177143,0.020019443,0.890545473,3.856848636,3.137099096,3.030759072,2.718776455,2.610219652,1.892529733,1.877120783,0.913836778,1.996651788,1.372262947,1.246089781,1.065150334,0.923017701,0.323420728,0.288749583,0.392438371,0,0,0,2,4,4,0,0,0,0,0,0,0.055555556,0.222222222,0,0,0,0.020833333,0.083333333,0.8563047,0,0.383276638,0,0.538675135,0,0.206837567,0,2.341091489,2.755763801,3.510558351,1.369016936,1.421848152,1.577350269,7.723614639,4.625897658,4.25015155,3.701831787,2.087989615,1.345596221,0.636894534,0.166666667,0.772361464,0.462589766,0.303582254,0.217754811,0.130499351,0.084099764,0.063689453,0.055555556,7.154700538,3.660683603,2.949358737,2.328846035,1.091506351,0.593002117,0.25,0.0625,0.715470054,0.36606836,0.210668481,0.136990943,0.068219147,0.037062632,0.025,0.020833333,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,1.79868,41.002,42.11558273,54.12612461,84.23116546,8.423116546,42.11558273,4.44E-16,4.44E-17,-35.35050621,55.74143817,5.574143817,4.020723823,76,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,2,0,0,0,0,0,0,0,0,4,0,0,0,0,2,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.00111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.761944444,0,0,0,0,0.761944444,0,0,0,0,0,0,0,0,8.665555556,0,0,0,0,4.356481481,0,0,0,0,5.64462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.391759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0,0,0,0.380972222,0,0,0,0,0,0,0,0,2.154537037,0,0,0,0,2.178240741,0,0,0,0,1.391759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.178240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0,0,0,0.380972222,0,0,0,0,0,0,0,0,2.178240741,0,0,0,0,2.178240741,0,0,0,0,1.430555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.66666667,1.866666667,0.380972222,2.178240741,0.116319444,1.391759259,6.175033889,0.274907407,0.178240741,2.044074074,0.274907407,0.178240741,2.044074074,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.4,0.4,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.70126,0.77013,12.65295,4.95169,0.49517,2.41574,0.24157,4.62587,2.21014,0.22101,0.28813,0.02881,0.37413,0.03741,0.25,10,0,0,0,0,0,0,0.4,0.979868757,1.959147917,2.125814584,2.29248125,2.79248125,2.79248125,23.51685016,47.01955001,51.01955001,55.01955001,67.01955001,67.01955001,0.213713581,0.427298569,0.463649285,0.5,0.609052146,0.609052146,3.605093744,2.625814584,2.459147917,2.29248125,1.79248125,1.79248125,0.206076118,0.412028238,0.44707989,0.482131543,0.587286502,0.587286502,6.772325919,14.7298096,16.7298096,18.7298096,19.23372211,19.23372211,37.92632204,30.86215626,27.69223126,24.52230625,24.52230625,24.52230625,8.1,2.93877551,1.55017301,0,6,0,2.56,1.28,1.668817935,2.746356192,7.883079778,0,1,4.298279727,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.088,0.481,0.688,4.848,14,17,16,16,10,3,0,0,0,96,2.63905733,3.277144733,3.778491613,4.141148628,4.541298109,4.274928499,3.168897455,0,0,0,5.830690418,3.537434896,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.4,0,3,5,0.666666667,2.5,2,0.875,0.524444444,0,0,0,0,0,0,0.25,0.142857143,0.0625,0.087407407,0,0,0,0,0,0,0.54276455,22.38592246,30.81456194,44.77184491,4.477184491,22.38592246,5.00E-16,5.00E-17,-35.23272317,42.18307695,4.218307695,3.742019121,0,150.3504702,4.321928095,3.891820298,4.709530201,5.549076085,6.385194399,7.22620901,8.065579427,8.90666441,9.74689222,10.58782101,85.06878706,3.044522438,0,4.343805422,0,5.860786223,0,7.471363088,0,9.122710622,9.338997404,134.1095504,5.587897935,19.22532837,1.922532837,0,0,0,109,14,3.65,48,1.234762656,2.136286397,3.076576182,3.799060094,4.377213257,5.802564583,6.552566751,0,0,0,92.46115255,126.2257952,172.6171713,101.2701606,38.70682904,19.47390442,6.657827183,0,0,0,322.7760344,449.4313647,666.1560596,547.5869914,335.2723585,282.7770203,203.6783102,0,0,0,9.03661301,15.33641161,22.3114192,27.10726185,30.26836288,39.47300057,44.02318382,0,0,0,2.357580245,3.375067083,5.113386499,4.771451803,3.47088135,3.398830828,2.913355737,0,0,0,173.6281861,322.578945,445.7260584,579.6521705,741.5378524,1034.07163,1211.685258,0,0,0,3.194995143,4.601016549,7.29049443,7.770231032,6.472098507,7.026809291,6.552566751,0,0,0,0.485493369,0.699861528,1.062734701,1.013251001,0.759959437,0.762638685,0.670982835,0,0,0,300.4174155,137.3697178,9.88395895,99.40918726,-45.45612636,-4.536823692,201.0082282,182.8258441,14.42078264,0.751369252,0.343573231,0.024720614,0.248630748,-0.1136896,-0.011346978,120.1148746,54.92406758,3.951869729,39.74643763,-18.17456858,-1.813942804,0.135669539,0.127550598,3.232387278,1.676721019,399.8266028,0,1,0,733.4098266,27.08154033,9.018110965,869.4529563,29.48648769,9.544401409,1326.978677,36.42771853,10.9889108,1.401189173,1.380747812,623.5093488,394.2647408,242.7310989,1.581448413,2.568724616,1.624286062,4.27907042,4.288153178,6.664765497,0.554227478,4.068044056,5.849592127,7.414163714,11.84599185,2.170232746,4.161435662,9.574914906,8.790058298,3.775262925,8.284653087,2.451060082,2.574079702,2.73E-05,7.61E-31,4.94E-78,6.44E-147,1.67E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,0.341512356,4.876977926,0.306571399,7.255657378,0.886922934,0.56293831,0.915481107,0.55199714,1.389157888,0.317688322,0.129364959,0.018130078,1.93E-07,5.36E-33,3.48E-80,4.54E-149,1.17E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,1.102176923,4.94197035,1.196998069,8.043898828,1.010293532,1.247607553,2.679816282,1.9035328,1.860022487,1.20507882,0.467855704,0.18892449,2.01E-06,5.58E-32,3.62E-79,4.73E-148,1.22E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,3.839908455,5.742807755,6.78079655,11.51235427,2.042644322,3.92349914,9.043644413,8.168977034,3.62345969,7.535545206,2.261021618,2.293459101,2.44E-05,6.78E-31,4.40E-78,5.74E-147,1.48E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,1.624349301,5.026236067,1.974637806,8.629166949,1.136130938,1.732416223,3.891939054,2.92931188,2.188063511,2.033620535,0.740427018,0.410367701,4.36E-06,1.21E-31,7.87E-79,1.03E-147,2.65E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.912727499,6.298605917,9.984330066,13.14104833,2.698299593,5.062435376,11.54327179,11.222207,4.343825232,11.35503522,3.209080587,3.754051294,3.99E-05,1.11E-30,7.20E-78,9.39E-147,2.43E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,2.335014304,4.887965987,2.818577711,9.129813534,1.417910996,2.354250379,5.268687104,4.208225859,2.810436307,3.224387025,1.121813862,0.738736937,7.85E-06,2.18E-31,1.42E-78,1.85E-147,4.78E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.459063589,2.718822548,0.278742959,0.597999918,0.364618182,0.561871519,0.55573595,0.333324277,7.456629096,14.12418785,24.96013006,0.443927151,1.450931747,2.889561782,1.792668771,0.050248333,0.610581019,0.378801219,0.235943286,0.241412812,0.010831774,4.732478887,5.41530145,10.40806807,0.484073357,0.488187872,3.446984207,2.121650915,0.131404843,0.604729831,0.372216849,0.335750902,0.338285382,0.07407647,5.700039964,8.045042817,14.70608545,0.465420021,0.748112754,4.412808745,2.691532688,0.27200943,0.598237371,0.364886749,0.550274264,0.54462877,0.317414672,7.376350863,13.80966685,24.41673328,0.44468618,1.412317707,3.721287779,2.283515969,0.171339114,0.602526182,0.369731727,0.391315245,0.391925144,0.125942143,6.176142861,9.526477821,17.15859538,0.458386864,0.909182532,4.606824878,2.805998915,0.300253133,0.597274593,0.363797605,0.599729423,0.591968136,0.386753641,7.713076926,15.15246917,26.74684196,0.441608297,1.578451199,4.41663043,2.695280839,0.271766615,0.598161309,0.365032289,0.551227584,0.546144957,0.316848222,7.383677884,13.83683943,24.45564323,0.444790397,1.414220762 +UMLRON0086,L,"1,2,3,4-tetramethylbenzene",CC1=C(C(=C(C=C1)C)C)C,10263,Sandia values from independent api report ,Sandia,,C10H14,PubChem,,100.5,0,-0.4538,0.20593444,32.1476,26.508688,0,0,25,9,16,0,9,0,0,0,0,0,0,0,0,0,1314.634113,1636.354618,2294.187013,1860.554817,1025.27578,226.227456,16.257024,0,0,4308.992027,6070.954879,9624.35089,9761.491825,6714.127363,2830.465684,497.3399109,0,0,175.360068,189.287272,387.055444,575.875908,514.026256,328.87296,107.495424,0,0,32.21390648,45.70570896,77.22849687,86.98982388,65.02217111,32.04432192,7.113806478,0,0,4099.831637,3717.904324,8148.916816,13241.15321,12370.37952,8367.325628,2958.682432,0,0,35.30555556,44.69444444,83.58333333,112.0833333,95.33333333,56,16,0,0,52.58536452,62.93671608,42.48494469,22.68969289,13.85507811,4.713072,1.016064,0,0,172.3596811,233.4982646,178.2287202,119.0425832,90.73145085,58.96803508,31.08374443,0,0,7.01440272,7.280279692,7.167693407,7.022876927,6.946300757,6.85152,6.718464,0,0,1.288556259,1.757911883,1.43015735,1.060851511,0.878677988,0.66759004,0.444612905,0,0,163.9932655,142.9963202,150.905867,161.4774782,167.1672908,174.3192839,184.917652,0,0,1.412222222,1.719017094,1.547839506,1.366869919,1.288288288,1.166666667,1,0,0,0.032689768,9.45E-04,-0.010540219,-0.011916387,-0.007080945,0.001037499,0.011209674,0,0,697.3402118,49.58863729,-193.89932,-326.006549,-185.1825674,55.78721695,251.0424763,0,0,1296.733901,92.21218854,-360.5640654,-606.2230989,-344.3548916,103.7387121,466.8242045,0,0,0.13660416,0.009714074,-0.037983546,-0.063862445,-0.036275994,0.010928333,0.049177498,0,0,5.797003881,0.412231387,-1.611889135,-2.710099314,-1.539426586,0.46376031,2.086921397,0,0,31.48941709,2.239247437,-8.755807362,-14.72130249,-8.362189648,2.519153367,11.33619015,0,0,1.277777778,-0.027777778,-0.416666667,-0.305555556,-0.333333333,-2.13E-15,0.444444444,0,0,0.001307591,3.64E-05,-1.95E-04,-1.45E-04,-9.57E-05,2.16E-05,7.01E-04,0,0,27.89360847,1.90725528,-3.590728148,-3.975689622,-2.502467127,1.162233686,15.69015477,0,0,51.86935606,3.546622636,-6.677112322,-7.392964621,-4.653444481,2.161223169,29.17651278,0,0,0.005464166,3.74E-04,-7.03E-04,-7.79E-04,-4.90E-04,2.28E-04,0.003073594,0,0,0.231880155,0.015855053,-0.029849799,-0.033049992,-0.020803062,0.009661673,0.130432587,0,0,1.259576683,0.086124901,-0.162144581,-0.179528079,-0.113002563,0.052482362,0.708511884,0,0,0.051111111,-0.001068376,-0.007716049,-0.003726287,-0.004504505,-4.44E-17,0.027777778,0,0,0.027810801,-0.149273952,-0.111137064,-0.073179206,0.016530075,0.535798092,0,0,0.068376068,-0.128729424,-0.142530488,-0.089714715,0.041666667,0.5625,0,0,0.068376068,-0.128729424,-0.142530488,-0.089714715,0.041666667,0.5625,0,0,0.068376068,-0.128729424,-0.142530488,-0.089714715,0.041666667,0.5625,0,0,0.068376068,-0.128729424,-0.142530488,-0.089714715,0.041666667,0.5625,0,0,0.068376068,-0.128729424,-0.142530488,-0.089714715,0.041666667,0.5625,0,0,-0.02090301,-0.150966184,-0.07290562,-0.08813161,-8.68E-16,0.543478261,0,0,1.324640892,1.296708336,1.064707939,0.976186375,0.749855528,1.12E-05,0,0,1.282051282,1.311728395,1.117886179,0.957207207,0.694444444,0,0,0,1.282051282,1.311728395,1.117886179,0.957207207,0.694444444,0,0,0,1.282051282,1.311728395,1.117886179,0.957207207,0.694444444,0,0,0,1.282051282,1.311728395,1.117886179,0.957207207,0.694444444,0,0,0,1.282051282,1.311728395,1.117886179,0.957207207,0.694444444,0,0,0,1.384615385,1.275362319,1.011664899,1.008225617,0.782608696,0,0,0,35.59903787,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,7.11E-15,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,35.59903787,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,7.11E-15,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,35.59903787,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,7.11E-15,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,35.59903787,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,7.11E-15,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,35.59903787,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,7.11E-15,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,35.59903787,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,7.11E-15,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,36.58903364,18.28371435,26.68856135,36.5722298,4.063581089,18.2837144,-0.021604938,0.022535415,0.002503935,-3.413400471,50.36303448,5.59589272,3.527331717,0,11.9,12.1001487,-0.143946152,0.056549044,7.085701657,8.883942587,10,26,26,26,10,0,0,0,0,0,17.491312,3.757016578,3.185740805,2.836535512,2.426823824,2.211521199,1.471562475,1.264336079,1.097426256,1.975583004,1.736867412,1.43155352,1.297400688,0.831860552,0.652372991,0.557335073,0.506896178,3.778025097,3.219122453,2.873988597,2.471405742,2.270331117,1.567464496,1.375175843,1.217823822,1.924857425,1.671206629,1.355702341,1.206321902,0.703616534,0.509946975,0.40372359,0.358223075,3.870677717,3.36565678,3.040966006,2.67159666,2.527073578,1.963578043,1.821612731,1.692718987,1.77821677,1.476798391,1.131037214,0.929366266,0.287136914,0.036317866,0.122756992,0.144554024,3.793511123,3.243713977,2.901740099,2.504548574,2.313682742,1.636939095,1.454763952,1.303579765,1.892791218,1.629263384,1.307200637,1.147433606,0.618562076,0.414667209,0.299950047,0.258217256,3.916082484,3.436619162,3.122867834,2.769963884,2.648713072,2.139055753,2.0143456,1.893983416,1.733216136,1.415931034,1.061021449,0.841041762,0.14496987,0.129746103,0.315526022,0.325079404,3.819116945,3.322085838,2.972369601,2.572593891,2.431032163,1.806235052,1.645724075,1.49875441,1.841206195,1.534339337,1.215541955,1.016724357,0.431848347,0.210590008,0.07011568,0.051423302,0,0,0,0,0,0,7,2,0,0,0,0.11785113,0.25,0.294627825,0,0,0.11785113,0.25,0.294627825,0.333333333,0,0.083333333,0,0.333333333,0,0.083333333,0,0.942809042,1.5,1.414213562,0.942809042,1.5,1.414213562,6.104448007,4.466326495,3.735520021,3.216326495,2.686765231,1.779039102,0.936856351,0.560395406,0.678272001,0.44663265,0.287347694,0.189195676,0.127941201,0.088951955,0.06245709,0.043107339,6.104448007,4.466326495,3.735520021,3.216326495,2.686765231,1.779039102,0.936856351,0.560395406,0.678272001,0.44663265,0.287347694,0.189195676,0.127941201,0.088951955,0.06245709,0.043107339,13.33462243,24.10269483,22.80392157,23.08,15.38843593,190.9687353,0.533384897,0.964107793,0.912156863,0.9232,0.615537437,7.638749413,2.9767,39.299,55.16228989,65.35541437,110.3245798,12.25828664,55.16228989,8.33E-16,9.25E-17,-31.24970779,2000024.663,222224.9625,13.05780306,70,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,0,0,10.83564815,0,0,0,2.331018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.528935185,0,0,0,1.165509259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.560185185,0,0,0,1.165509259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.16666667,1.462962963,0.2,1.560185185,0.2,1.165509259,6.213465278,0.167824074,0.060185185,0.671296296,0.167824074,0.060185185,0.671296296,4.5,0.5,0,0,0.444,0.7,0.444,0.444,0.7,0,0,0,0,0.71429,0,0,0,0.22222,0,5,0.55556,5,0.55556,0,0,-5,-0.55556,0,0,9.28813,1.03201,9.28813,0,0,4.46631,0.49626,4.46631,0,0,-0.05231,-0.00581,0.11969,0.0133,0.36,28,0,0,0,0,0,0,1,0.942683189,1.217796812,1.841541933,2.50346519,2.72385619,2.98346519,23.56707973,30.44492029,46.03854833,62.58662974,68.09640474,74.58662974,0.202995776,0.26223827,0.396554471,0.539091886,0.586550504,0.642454259,3.701173001,3.426059378,2.802314256,2.140391,1.92,1.660391,0.200552128,0.259081466,0.391780779,0.532602339,0.579489655,0.634720445,6.78267514,10.08403861,13.74500857,15.62339962,15.84551518,17.86590363,35.24630968,31.68844423,27.39890701,26.01923289,25.32951093,22.03889308,5.76,2.319526627,0.996539792,0,0,0,2.45,1.1595,0,0,0,0,9.480406828,8.052870517,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.093,0.104,0.349,0.426,4.521,13,17,21,20,15,13,11,0,0,129,2.397895273,2.63905733,2.890371758,3.091042453,3.044522438,2.772588722,2.63905733,2.48490665,0,0,4.86753445,1,0.25,2,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,3,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,4,0.333333333,1,0.888888889,0.319444444,0.097222222,0,0,0,0,0,0,0.1,0.068376068,0.035493827,0.024305556,0,0,0,0,0,0,0.228175451,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,0,139.5074029,4.169925001,3.850147602,4.672828834,5.509388337,6.34738921,7.189167738,8.030409562,8.873047799,9.715168044,10.55791989,83.74546702,3.044522438,0,4.290459441,2.397895273,5.752572639,4.59511985,7.311218384,6.580639137,8.914760527,9.22818029,124.1252005,4.96500802,18.55905426,2.06211714,0,0,0,79,9,4.659,46,1.272680158,2.19999067,2.936400952,3.70316544,4.762300145,5.658319767,0,0,0,0,93.08468263,102.0204499,75.10854336,59.15434542,23.65307473,5.749215016,0,0,0,0,327.5108143,414.9502347,373.9081177,365.8935197,289.9347788,175.8817656,0,0,0,0,9.307022084,15.81426105,20.67767258,25.821262,32.67247124,38.01521766,0,0,0,0,2.401887919,3.28096582,3.264089964,3.459198828,3.252122761,2.515761988,0,0,0,0,179.4014472,328.8205534,470.150399,611.5582834,826.6976944,1046.323206,0,0,0,0,2.249236299,3.468338644,4.092535634,4.904410506,5.610475795,5.658319767,0,0,0,0,0.494994897,0.685915587,0.695154994,0.746713678,0.721077474,0.579411944,0,0,0,0,327.0302396,141.2503531,8.757295062,22.95751557,-9.915771656,-1.108151158,304.072724,151.1661248,9.865446221,0.934404804,0.403586557,0.025021718,0.065595196,-0.028331767,-0.003166257,114.4565794,49.435894,3.06494604,8.034849336,-3.470398662,-0.387839336,0.069751166,0.121660512,0.682023088,0.229563543,349.9877551,0,1,0,617.3896052,24.84732592,8.515035006,772.3821825,27.79176465,9.175098787,1072.124848,32.74331761,10.23485719,1.291804449,1.291804449,482.3623102,358.7785721,169.8253988,1.344456854,2.840342572,2.112632001,3.952667972,3.825125894,6.567110489,0.716835124,4.462408856,8.454820593,2.899705854,24.95496679,15.84692099,9.447351984,10.96492913,13.82620236,6.704949586,3.311416384,2.288134363,1.77597268,7.27E-09,1.60E-38,6.79E-90,5.56E-163,8.77E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499054,8.454525282,0.168992311,8.853477332,1.328055248,0.579534635,0.695283816,0.755518587,0.270327378,0.125478113,0.01665327,0.012508321,5.12E-11,1.13E-40,4.78E-92,3.91E-165,6.18E-260,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928596,8.454545645,0.594426037,10.3913228,2.984610589,1.930023126,2.09317862,2.670438202,1.054209085,0.505496557,0.169317707,0.130346347,5.34E-10,1.17E-39,4.98E-91,4.08E-164,6.44E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149947,8.454788393,2.685849346,23.35057346,14.49569378,8.741871492,10.08917261,12.75960772,6.123685179,3.020752524,2.039056797,1.582359684,6.48E-09,1.43E-38,6.05E-90,4.95E-163,7.82E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738317,8.454571475,0.925655537,11.96626393,4.509875492,2.993562448,3.260146748,4.208577189,1.749557183,0.846624816,0.366457399,0.283129683,1.16E-09,2.55E-39,1.08E-90,8.86E-164,1.40E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004953,8.454955847,3.744526629,31.59776838,21.37491928,12.24404774,14.48797508,18.0778184,9.069822198,4.496186564,3.335274926,2.590089245,1.06E-08,2.33E-38,9.90E-90,8.11E-163,1.28E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,3.084038615,8.305215451,1.750017094,16.8288338,9.00747271,5.672161173,6.535856908,8.407207508,3.79410541,1.857624003,1.070725537,0.829792715,3.40E-09,7.48E-39,3.17E-90,2.60E-163,4.10E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,3.450433174,1.775106297,0.68734217,0.583545111,0.300210017,0.529416239,0.503596312,0.426984382,5.912881641,9.716619294,19.83939313,0.375317667,1.459996933,2.704235021,1.181816243,0.186215659,0.664061338,0.290210899,0.325194545,0.223557676,0.031194678,4.072266923,3.919552469,8.586947669,0.496092007,0.579946899,2.98979763,1.408780449,0.378074563,0.625918997,0.294930478,0.397499085,0.317446638,0.128857179,4.776652642,5.874958933,12.24404971,0.438878495,0.843802901,3.430830543,1.759512131,0.674186085,0.585013849,0.300026175,0.523417996,0.49480054,0.410757828,5.864528759,9.535844769,19.47015713,0.377520774,1.428976364,3.121551947,1.513533942,0.46655945,0.61187161,0.296675649,0.433304206,0.366312534,0.196393116,5.101645338,6.887117945,14.19305831,0.417807415,0.996009856,3.512199557,1.82424502,0.728793253,0.579070377,0.300770567,0.54853972,0.531819804,0.480170967,6.06523783,10.29627735,21.03097558,0.368605566,1.56053049,3.439628582,1.76485948,0.678095938,0.584713891,0.300014327,0.526105895,0.497801354,0.415567481,5.882583999,9.599603323,19.59854234,0.377070837,1.439474729 +UMLRON0087,L,hydrindan,C1CCC2CCCC2C1,10325, (cis) reported,UML,[1],C9H16,PubChem,,70,0,0.849,0.720801,41.158,22.50793,6,6,19,9,10,0,9,0,0,0,0,0,0,0,0,0,1308.537729,1563.71209,2120.623525,1624.338081,853.57306,158.493888,8.128512,0,0,4122.48956,5382.535181,7893.703283,7136.72533,4529.110611,1780.928074,248.6699554,0,0,135.049284,146.58148,260.53474,326.82618,253.934608,172.751616,53.747712,0,0,29.54622905,39.0244431,59.86042491,58.94299401,40.09970387,19.14249948,3.556903239,0,0,2990.325725,2799.169038,5265.53054,7156.429618,5725.049994,4241.400049,1479.341216,0,0,38.30555556,47.94444444,76.58333333,84.66666667,62.33333333,35,8,0,0,68.87040679,78.1856045,58.90620903,35.31169741,23.71036278,6.33975552,1.016064,0,0,216.9731347,269.1267591,219.2695357,155.1462028,125.8086281,71.23712296,31.08374443,0,0,7.107857053,7.329074,7.237076111,7.104916957,7.053739111,6.91006464,6.718464,0,0,1.555064687,1.951222155,1.662789581,1.281369435,1.113880663,0.765699979,0.444612905,0,0,157.3855645,139.9584519,146.2647372,155.5745569,159.0291665,169.656002,184.917652,0,0,2.016081871,2.397222222,2.127314815,1.84057971,1.731481481,1.4,1,0,0,0.042495238,0.002218087,-0.011305978,-0.01130795,-0.0181052,0.002803385,0.014450037,0,0,573.4705689,33.53629058,-86.1882668,-184.1142353,-258.2294375,-9.054798457,217.315163,0,0,1066.393011,62.36216439,-160.2707625,-342.3682825,-480.1886658,-16.83778438,404.1068252,0,0,0.112338947,0.006569529,-0.01688369,-0.036066715,-0.050585374,-0.001773773,0.042570548,0,0,4.767272928,0.278787891,-0.716484879,-1.530545519,-2.146666757,-0.07527273,1.806545531,0,0,25.89590221,1.514380246,-3.891957232,-8.313947551,-11.6607279,-0.408882666,9.813183995,0,0,3.18128655,0.619113573,-0.081794398,-0.70498615,-2.094952293,-0.36280394,1.034779932,0,0,0.002236591,1.11E-04,-3.14E-04,-2.46E-04,-5.03E-04,1.12E-04,0.001806255,0,0,30.18266152,1.676814529,-2.394118522,-4.002483376,-7.17303993,-0.362191938,27.16439537,0,0,56.12594795,3.118108219,-4.451965624,-7.44278875,-13.33857405,-0.673511375,50.51335315,0,0,0.005912576,3.28E-04,-4.69E-04,-7.84E-04,-0.001405149,-7.10E-05,0.005321319,0,0,0.250909101,0.013939395,-0.019902358,-0.033272729,-0.059629632,-0.003010909,0.225818191,0,0,1.362942221,0.075719012,-0.108109923,-0.18073799,-0.323909108,-0.016355307,1.226647999,0,0,0.167436134,0.030955679,-0.002272067,-0.015325786,-0.058193119,-0.014512158,0.129347492,0,0,0.049586319,-0.140416772,-0.10991055,-0.224861016,0.050136745,0.807592588,0,0,0.055555556,-0.079320988,-0.132608696,-0.237654321,-0.012,0.9,0,0,0.055555556,-0.079320988,-0.132608696,-0.237654321,-0.012,0.9,0,0,0.055555556,-0.079320988,-0.132608696,-0.237654321,-0.012,0.9,0,0,0.055555556,-0.079320988,-0.132608696,-0.237654321,-0.012,0.9,0,0,0.055555556,-0.079320988,-0.132608696,-0.237654321,-0.012,0.9,0,0,0.184880515,-0.013569751,-0.091532129,-0.347554126,-0.086672794,0.772518382,0,0,0.90107546,1.022318269,0.988202306,1.226937315,0.989934995,0.224951103,0,0,0.95,1.055555556,1.073913043,1.161111111,0.912,0,0,0,0.95,1.055555556,1.073913043,1.161111111,0.912,0,0,0,0.95,1.055555556,1.073913043,1.161111111,0.912,0,0,0,0.95,1.055555556,1.073913043,1.161111111,0.912,0,0,0,0.95,1.055555556,1.073913043,1.161111111,0.912,0,0,0,0.817279412,0.921185662,1.018182545,1.366498162,1.018455882,0,0,0,28.14939172,14.07469586,20.43865032,28.14939172,3.127710191,14.07469955,3.55E-15,0.14295299,0.015883666,-1.750715499,236.8524676,26.31694085,4.920693703,28.14939172,14.07469586,20.43865032,28.14939172,3.127710191,14.07469955,3.55E-15,0.14295299,0.015883666,-1.750715499,236.8524676,26.31694085,4.920693703,28.14939172,14.07469586,20.43865032,28.14939172,3.127710191,14.07469955,3.55E-15,0.14295299,0.015883666,-1.750715499,236.8524676,26.31694085,4.920693703,28.14939172,14.07469586,20.43865032,28.14939172,3.127710191,14.07469955,3.55E-15,0.14295299,0.015883666,-1.750715499,236.8524676,26.31694085,4.920693703,28.14939172,14.07469586,20.43865032,28.14939172,3.127710191,14.07469955,3.55E-15,0.14295299,0.015883666,-1.750715499,236.8524676,26.31694085,4.920693703,28.14939172,14.07469586,20.43865032,28.14939172,3.127710191,14.07469955,3.55E-15,0.14295299,0.015883666,-1.750715499,236.8524676,26.31694085,4.920693703,31.46619172,15.32665189,22.61988074,31.416809,3.490756556,15.32665299,-0.148148148,0.339557633,0.037728626,-0.972100429,46.44605376,5.16067264,3.454462354,0,11.9,12.1001487,-0.136013049,0.06484136,6.82275,8.573995955,10,20,17,14,4,3,0,0,0,6,10.93207,3.874742737,3.186632043,2.733390637,2.306789784,2.100002148,1.246116182,0.75322539,0.730315644,1.947517402,1.705424172,1.240737157,1.01051039,0.60356293,0.583924036,0.239916874,0.012160111,3.885811795,3.212730471,2.758321219,2.335813307,2.156159703,1.353783091,0.881703045,0.844436469,1.920092915,1.639677238,1.169965584,0.931752057,0.464767009,0.455658087,0.072342401,0.121893504,3.936693867,3.330283972,2.8784592,2.473080285,2.403309297,1.789300054,1.398517017,1.302020466,1.846772839,1.446879061,0.980512301,0.711961221,0.085123488,0.043359313,0.509265774,0.614388651,3.894075243,3.232122762,2.777249181,2.357696071,2.197700541,1.431292318,0.974204865,0.926539732,1.903335385,1.597820779,1.126400376,0.88248626,0.386465848,0.356226307,0.041405944,0.215389016,3.963008157,3.388834277,2.943131191,2.546023937,2.520822007,1.977054612,1.618439592,1.494302825,1.82581545,1.387282874,0.928131475,0.648220306,0.042838118,0.221661379,0.724687028,0.802160743,3.923769608,3.245654452,2.848260511,2.376036653,2.221987402,1.515214791,1.129938476,1.041927865,1.845567355,1.64148315,1.071946556,0.756372039,0.285235871,0.26062874,0.205370305,0.332021019,0,0,0,4,2,0,3,0,0,0,0,0.11785113,0.25,0.294627825,0,0,0.088388348,0.12983985,0.127672058,0.333333333,0,0.083333333,0,0.204124145,0,0.041666667,0,0.942809042,1.5,1.414213562,0.524377395,0.760310363,0.58528719,6.104448007,4.466326495,3.735520021,3.216326495,2.686765231,1.779039102,0.936856351,0.560395406,0.678272001,0.44663265,0.287347694,0.189195676,0.127941201,0.088951955,0.06245709,0.043107339,5.43072142,3.53445705,2.622263719,2.010616132,1.514565212,0.814809122,0.397590793,0.210790227,0.603413491,0.353445705,0.201712594,0.118271537,0.072122153,0.040740456,0.026506053,0.016214633,11.70913902,18.43918427,17.62745098,17.8,12.99277246,142.1120539,0.616270475,0.970483383,0.927760578,0.936842105,0.683830129,7.479581784,2.1753,38.467,55.16228989,65.35541437,110.3245798,12.25828664,55.16228989,3.33E-16,3.70E-17,-32.07436945,2000024.663,222224.9625,13.05780306,70,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,4,0,0,0,0,0,0,0,0,0,0,3,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.86935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.610694444,0,1.025416667,0,0,1.610694444,0,0,0,0,0,0,0,0,0,0,3.963981481,0,0,8.735092593,0,0,0,0,3.134259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.56712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.390972222,0,0.306805556,0,0,0.390972222,0,0,0,0,0,0,0,0,0,0,1.301759259,0,0,2.12912037,0,0,0,0,1.56712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.238425926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.414375,0,0.359305556,0,0,0.414375,0,0,0,0,0,0,0,0,0,0,1.360462963,0,0,2.238425926,0,0,0,0,1.56712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.83333333,1.759259259,0.414375,2.238425926,0.131944444,1.301759259,5.149283611,0.198240741,0.238425926,1.470185185,0.198240741,0.238425926,1.470185185,4.5,0.5,0,0,0.48947,0.7,0.444,0.444,0.7,0.04547,0.04547,0,0,0.71429,0,0,0,0.22222,0,11,1.22222,5,0.55556,6,0.66667,1,0.11111,0,0,5.05896,0.56211,9.28813,4.22917,0.46991,2.48601,0.27622,4.46631,1.9803,0.22003,-0.05231,-0.00581,0.11969,0.0133,0.473684211,28,0,0,0,0,0,0,0.333333333,0.998000884,2.378991987,2.879506461,3.090032777,3.090032777,3.090032777,18.96201679,45.20084775,54.71062276,58.71062276,58.71062276,58.71062276,0.234938304,0.560035919,0.677861487,0.727421258,0.727421258,0.727421258,3.24992663,1.868935527,1.368421053,1.157894737,1.157894737,1.157894737,0.220622795,0.52591122,0.636557317,0.68309726,0.68309726,0.68309726,6.618775012,17.57337413,20.39194725,20.60412094,20.60412094,20.60412094,32.44785067,25.94856356,22.22178931,21.69634614,21.69634614,21.69634614,5.76,2.319526627,0.996539792,0,6,0,2.45,1.0305,0,0,0,0,9.480406828,8.052870517,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.115,0.112,0.679,0.88,4.751,13,17,21,20,15,13,11,0,0,129,2.63905733,3.157000421,3.682609841,4.156928049,4.52517956,4.274928499,4.286599261,4.274928499,0,0,6.113474747,3.495397287,0.25,2,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,3,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,4,0.333333333,1,0.888888889,0.319444444,0.097222222,0,0,0,0,0,0,0.1,0.068376068,0.035493827,0.024305556,0,0,0,0,0,0,0.228175451,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,0,120.6980268,4.169925001,3.850147602,4.672828834,5.509388337,6.34738921,7.189167738,8.030409562,8.873047799,9.715168044,10.55791989,83.74546702,3.044522438,0,4.290459441,2.397895273,5.752572639,4.59511985,7.311218384,6.580639137,8.914760527,9.22818029,118.0782503,6.214644754,18.55905426,2.06211714,0,0,0,79,9,2.885,46,1.234938782,2.136671487,2.954928226,3.99660203,4.992498829,5.987118636,0,0,0,0,104.9291459,135.1410274,114.8061128,100.6290122,32.09916131,6.08329571,0,0,0,0,351.9222906,491.7198632,490.3139461,524.652048,359.0297876,186.1020656,0,0,0,0,9.077755619,15.5026142,21.07475079,28.26100068,34.51461104,40.22424102,0,0,0,0,2.515806181,3.684501347,3.986907982,4.600559864,3.849772751,2.661950209,0,0,0,0,171.1717186,309.8845246,453.8239587,630.2391966,845.7232648,1107.123921,0,0,0,0,3.053334015,4.679637776,5.62012794,7.065764525,7.000456184,5.987118636,0,0,0,0,0.515955815,0.762714067,0.838143655,0.979529198,0.84653377,0.613080948,0,0,0,0,254.4920433,108.7317985,10.88254979,116.0140752,-49.56704693,-5.151820465,138.4779681,158.2988454,16.03437026,0.686876763,0.293468294,0.029372119,0.313123237,-0.133781993,-0.013904819,94.29085915,40.28579663,4.032051284,42.98392471,-18.36489416,-1.908781004,0.145200901,0.143908275,3.498021909,1.75597982,370.5061185,0,1,0,777.9247291,27.89130203,9.196993067,875.6443391,29.59128823,9.567003102,1283.456464,35.82536063,10.8674349,1.240812914,1.171154257,428.2530259,309.9090564,128.332611,1.381866767,3.337055347,2.414889356,3.700384901,3.843827416,6.243179937,0.624209222,3.115752906,1.883914241,15.16028165,6.059289579,13.31897484,5.687062243,3.657343393,3.368426825,6.845137054,1.7854586,0.053101469,0.003267822,2.25E-25,3.72E-69,1.24E-134,8.07E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.261588035,1.883787478,1.254382012,3.43005419,0.837902296,3.49784997,1.226611374,2.084560729,0.062305149,0.146111489,3.74E-04,2.30E-05,1.59E-27,2.62E-71,8.71E-137,5.69E-224,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844183934,1.883796246,3.669553862,3.605758504,2.879771795,3.905389699,1.711726971,2.337007855,0.538605287,0.47412329,0.003897348,2.40E-04,1.65E-26,2.73E-70,9.07E-136,5.92E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.941022978,1.883900429,14.1592163,5.770627373,12.37596308,5.539128295,3.504627082,3.286427175,6.108598632,1.682759168,0.047312453,0.002911571,2.01E-25,3.32E-69,1.10E-134,7.19E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.244117754,1.883807344,5.453185716,3.833556051,4.431628783,4.196829404,2.048024187,2.513160473,1.135239854,0.70125691,0.00846556,5.21E-04,3.59E-26,5.93E-70,1.97E-135,1.29E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.762699184,1.883972253,19.03681294,7.273072173,17.01368389,6.250591033,4.227221122,3.675897661,9.937017415,2.168365012,0.077443501,0.004765812,3.28E-25,5.43E-69,1.80E-134,1.18E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.743090284,1.994302543,7.220535775,4.452636119,6.403914329,4.550191212,2.520581171,2.679374455,2.250012487,0.857642358,0.017157217,0.001055842,7.27E-26,1.20E-69,4.00E-135,2.61E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.729887615,1.828070464,0.260803998,0.641010505,0.314168278,0.561613568,0.516026417,0.315811121,5.818762077,8.268035069,15.86508852,0.461515757,1.393451107,2.635037293,1.04445386,0.042268017,0.708008544,0.280634456,0.280304148,0.168444507,0.008295159,3.721759171,2.907699669,6.745787816,0.562012817,0.457043813,2.997671529,1.304006074,0.114651594,0.678769946,0.295269219,0.36276041,0.262568156,0.061032392,4.416329197,4.402176075,9.266676276,0.518154919,0.686360958,3.694121954,1.802472466,0.25366511,0.642426996,0.313459324,0.550894922,0.501675997,0.298758632,5.750259531,8.052847339,15.49214948,0.463640493,1.351329551,3.186188843,1.43893386,0.152280361,0.666929041,0.301195826,0.409819907,0.319717163,0.107668246,4.777403064,5.289030366,10.76459549,0.500393561,0.837205315,3.845741847,1.910988799,0.283928677,0.636642731,0.316354341,0.597043126,0.563900363,0.3742978,6.040659322,8.983670508,17.11096983,0.454964096,1.535241289,3.700962461,1.80525726,0.253944738,0.64250986,0.31340377,0.552937162,0.503227337,0.299417651,5.760164458,8.079464873,15.53628221,0.46376479,1.35558215 +UMLRON0088,L,"2,3-dihydroindene",C1CC2=CC=CC=C2C1,10326,"""hydrindene""; ""2,3-dihydroindene""","Sandia, UML",[1],C9H10,PubChem,,100.3,0,1.8744,3.51337536,19.5676,11.040758,0,0,10,4,6,0,4,0,0,0,0,0,0,0,0,0,583.152868,505.434891,367.267154,216.906649,72.642528,9.144576,0,0,0,1880.570074,1958.970403,1721.955968,1111.9366,688.4196982,279.7536999,0,0,0,70.472848,65.32734,98.097608,50.246308,42.705792,60.466176,0,0,0,13.82327743,15.04796586,14.92674329,9.47016586,6.68126586,4.001516144,0,0,0,1616.683337,1299.118355,2281.829911,1045.529642,918.7352863,1664.258868,0,0,0,26.5,28.25,31,19,12,9,0,0,0,58.3152868,56.15943233,26.23336814,30.98666414,12.107088,1.016064,0,0,0,188.0570074,217.6633782,122.9968549,158.8480857,114.7366164,31.08374443,0,0,0,7.0472848,7.258593333,7.006972,7.178044,7.117632,6.718464,0,0,0,1.382327743,1.671996207,1.066195949,1.352880837,1.11354431,0.444612905,0,0,0,161.6683337,144.3464838,162.9878508,149.3613775,153.1225477,184.917652,0,0,0,2.65,3.138888889,2.214285714,2.714285714,2,1,0,0,0,0.030619665,0.011320168,-0.01473129,-0.023225907,-5.79E-04,0.011905739,0,0,0,290.5584216,-43.58376324,29.05584216,-130.7512897,-174.335053,174.335053,0,0,0,540.3057923,-81.04586884,54.03057923,-243.1376065,-324.1834754,324.1834754,0,0,0,0.0569184,-0.00853776,0.00569184,-0.02561328,-0.03415104,0.03415104,0,0,0,2.415418284,-0.362312743,0.241541828,-1.086938228,-1.44925097,1.44925097,0,0,0,13.12059045,-1.968088568,1.312059045,-5.904265704,-7.872354271,7.872354271,0,0,0,4,0.5,-0.5,-2.75,-1.5,2.25,0,0,0,0.003061967,0.001257796,-0.001052235,-0.003317987,-9.64E-05,0.00132286,0,0,0,29.05584216,-4.84264036,2.075417297,-18.67875567,-29.05584216,19.37056144,0,0,0,54.03057923,-9.005096538,3.859327088,-34.73394379,-54.03057923,36.02038615,0,0,0,0.00569184,-9.49E-04,4.07E-04,-0.00365904,-0.00569184,0.00379456,0,0,0,0.241541828,-0.040256971,0.017252988,-0.15527689,-0.241541828,0.161027886,0,0,0,1.312059045,-0.218676508,0.093718503,-0.843466529,-1.312059045,0.87470603,0,0,0,0.4,0.055555556,-0.035714286,-0.392857143,-0.25,0.25,0,0,0,0.410780593,-0.343646795,-1.083612989,-0.031490812,0.432029509,0,0,0,-0.166666667,0.071428571,-0.642857143,-1,0.666666667,0,0,0,-0.166666667,0.071428571,-0.642857143,-1,0.666666667,0,0,0,-0.166666667,0.071428571,-0.642857143,-1,0.666666667,0,0,0,-0.166666667,0.071428571,-0.642857143,-1,0.666666667,0,0,0,-0.166666667,0.071428571,-0.642857143,-1,0.666666667,0,0,0,0.138888889,-0.089285714,-0.982142857,-0.625,0.625,0,0,0,0.501147689,1.511233744,2.569952971,0.22378793,0,0,0,0,1.25,0.803571429,1.607142857,1.875,0,0,0,0,1.25,0.803571429,1.607142857,1.875,0,0,0,0,1.25,0.803571429,1.607142857,1.875,0,0,0,0,1.25,0.803571429,1.607142857,1.875,0,0,0,0,1.25,0.803571429,1.607142857,1.875,0,0,0,0,0.8125,1.125,2.169642857,1.125,0,0,0,0,7.743848737,3.871924369,6.259350255,7.743848737,1.935962184,3.915667798,-1.33E-15,1.11E-16,2.78E-17,-14.69472023,15.94189626,3.985474065,1.107580251,7.743848737,3.871924369,6.259350255,7.743848737,1.935962184,3.915667798,-1.33E-15,1.11E-16,2.78E-17,-14.69472023,15.94189626,3.985474065,1.107580251,7.743848737,3.871924369,6.259350255,7.743848737,1.935962184,3.915667798,-1.33E-15,1.11E-16,2.78E-17,-14.69472023,15.94189626,3.985474065,1.107580251,7.743848737,3.871924369,6.259350255,7.743848737,1.935962184,3.915667798,-1.33E-15,1.11E-16,2.78E-17,-14.69472023,15.94189626,3.985474065,1.107580251,7.743848737,3.871924369,6.259350255,7.743848737,1.935962184,3.915667798,-1.33E-15,1.11E-16,2.78E-17,-14.69472023,15.94189626,3.985474065,1.107580251,7.743848737,3.871924369,6.259350255,7.743848737,1.935962184,3.915667798,-1.33E-15,1.11E-16,2.78E-17,-14.69472023,15.94189626,3.985474065,1.107580251,7.520324533,3.735162266,6.187108678,7.495324533,1.873831133,3.787698375,-0.05,5.55E-16,1.39E-16,-14.05094506,20.31590073,5.078975182,1.204561547,0,11.89,12.11003668,-0.176189995,0.067113251,4.530135677,5.049275898,3,9,8,8,2,0,0,1,0,1,6.559242,3.400513416,2.531886774,1.760365009,0.083923071,0.083923071,0.083923071,0.083923071,0.475084824,1.704929687,1.344904547,0.475084824,0.083923071,0.083923071,0.083923071,0.083923071,1.760365009,3.415990081,2.592811184,1.825844668,0.270913902,0.270913902,0.270913902,0.270913902,0.403567469,1.65038062,1.238870039,0.403567469,0.270913902,0.270913902,0.270913902,0.270913902,1.825844668,3.492386447,2.851618157,2.084755963,0.943918427,0.943918427,0.943918427,0.943918427,0.13039599,1.509354548,0.901173176,0.13039599,0.943918427,0.943918427,0.943918427,0.943918427,2.084755963,3.427824023,2.637277489,1.872621411,0.399277246,0.399277246,0.399277246,0.399277246,0.35275281,1.617298242,1.169117381,0.35275281,0.399277246,0.399277246,0.399277246,0.399277246,1.872621411,3.53481504,2.97117166,2.192531824,1.207644823,1.207644823,1.207644823,1.207644823,0.023887197,1.471690447,0.787651234,0.023887197,1.207644823,1.207644823,1.207644823,1.207644823,2.192531824,3.471487278,2.594901666,1.897088394,0.444444444,0.444444444,0.444444444,0.444444444,0.282547883,1.599960146,1.192080419,0.282547883,0.444444444,0.444444444,0.444444444,0.444444444,1.897088394,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,3,1.25,0.5,0.25,0,0,0,0,0.75,0.416666667,0.25,0.25,0,0,0,0,5.625483411,9.663510561,9.176470588,9.28,6.395663473,75.82745988,0.562548341,0.966351056,0.917647059,0.928,0.639566347,7.582745988,1.10919,18.479,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.761111111,0,0,0,0,0,0,0,0,0,0,3.638888889,0,0,0,0,0,0,0,5.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.680555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380555556,0,0,0,0,0,0,0,0,0,0,1.819444444,0,0,0,0,0,0,0,2.680555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.680555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380555556,0,0,0,0,0,0,0,0,0,0,1.819444444,0,0,0,0,0,0,0,2.680555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,2.25,0.380555556,2.680555556,0.319444444,1.819444444,2.242138889,0.180555556,0.180555556,0.722222222,0.180555556,0.180555556,0.722222222,2,0.5,0,0,0.46,0.7,0.41429,0.41429,0.7,0.04571,0.04571,0,0,0.71429,0,0,0.5,0,0,3.5,0.875,1.5,0.375,2,0.5,0.5,0.125,0,0,1.72476,0.43119,2.95465,1.22989,0.30747,0.98317,0.24579,1.91421,0.93104,0.23276,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3,0,0,0,0,0,0,1,0.970950594,1.370950594,1.370950594,1.370950594,0.906564975,0.442179356,9.709505945,13.70950594,13.70950594,13.70950594,9.065649755,4.421793565,0.292285253,0.412697252,0.412697252,0.412697252,0.272903251,0.13310925,2.3509775,1.9509775,1.9509775,1.9509775,2.415363119,2.879748738,0.280667665,0.396293595,0.396293595,0.396293595,0.262056047,0.127818499,6.79089428,11.59089428,11.59089428,11.59089428,6.018266852,0.445639424,15.34358585,13.79833099,13.79833099,13.79833099,8.225703567,2.653076139,4,3,4,4,2,4,1.9,0.5862,0.333333333,2.828427125,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.113,0.096,0.161,0.08,1.104,2,1,0,0,0,0,0,0,0,10,1.791759469,1.945910149,1.386294361,0,0,0,0,0,0,0,2.944438979,1.8,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,0,72.4674798,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,54.04695019,5.404695019,6.871320344,1.717830086,0,0,0,10,1,1.616,10,1.203333333,2.069423843,3.346668694,4.626074073,5.07790647,0,0,0,0,0,75.53730712,66.99667523,118.9064125,56.00828589,5.15947796,0,0,0,0,0,280.5170334,290.1792839,567.1362628,530.7800862,157.840347,0,0,0,0,0,8.759974325,14.57855808,24.07118681,32.92669285,34.11573182,0,0,0,0,0,2.112862411,2.42199331,4.720389142,5.151338461,2.257702746,0,0,0,0,0,172.1113933,331.7087086,496.834058,708.3562479,938.9945417,0,0,0,0,0,3.959,4.955730282,9.256386021,9.252148145,5.07790647,0,0,0,0,0,0.43758,0.512375655,0.994489058,1.110257777,0.519977623,0,0,0,0,0,271.5260205,59.25426721,9.875711201,246.1171463,-53.70936873,-12.88539825,25.40887413,112.9636359,22.76110945,0.524542847,0.114469331,0.019078222,0.475457153,-0.103757515,-0.024892434,140.5535891,30.67256652,5.11209442,127.400859,-27.80228772,-6.670038355,0.166666667,0.487851597,8.18515786,35.13380937,517.6431668,0,1,0,231.3074059,15.2087937,6.138512992,289.4296223,17.01263126,6.614763571,279.6987447,16.72419638,6.539785526,2.449408055,2.449408055,151.2658901,151.2658901,6.741696998,1,22.43736112,22.43736112,2.497139722,3.21244681,5.188898202,0.615247974,1.684574703,1.828234863,2.279089353,0.072858351,0.065850242,0.001538536,0.099221555,1.22422073,0.545596875,3.76E-04,1.61E-28,1.33E-74,2.12E-142,6.50E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.151608527,1.828113291,0.166621973,0.07285737,0.005600691,1.29E-04,0.099221555,0.102744676,0.003843074,2.65E-06,1.13E-30,9.36E-77,1.49E-144,4.58E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.464519605,1.828121651,0.554116125,0.07285757,0.017898909,4.17E-04,0.099221555,0.33166056,0.040044727,2.76E-05,1.18E-29,9.75E-76,1.55E-143,4.77E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.590727612,1.828221599,2.134304064,0.072858291,0.062161808,0.001452252,0.099221555,1.155564314,0.486117261,3.35E-04,1.43E-28,1.18E-74,1.89E-142,5.79E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.67932325,1.828132276,0.833095773,0.072857708,0.02634125,6.14E-04,0.099221555,0.48880452,0.086981537,5.99E-05,2.56E-29,2.12E-75,3.37E-143,1.04E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.032048239,1.828290584,2.832719538,0.072858574,0.079506854,0.001858004,0.099221555,1.478425054,0.795700492,5.48E-04,2.35E-28,1.94E-74,3.09E-142,9.48E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.674889438,1.805629287,1.030489491,0.071958336,0.03255871,7.60E-04,0.078397278,0.483643065,0.107773225,7.42E-05,3.18E-29,2.62E-75,4.18E-143,1.28E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.472400638,0.33446763,0.33446763,0.869890769,0.065054616,0.813355632,0.4,0.4,5.141335898,3.103615079,8.745272155,0.804836153,1.613355632,2.736155522,0.06232777,0.06232777,0.956426504,0.021786748,0.304425224,0.013890407,0.013749746,2.860811061,0.344961693,3.216402036,0.934639756,0.332065377,3.36615408,0.161074034,0.161074034,0.912656812,0.043671594,0.46075182,0.092769,0.092588076,3.688302148,1.110344879,4.885981371,0.868985218,0.646108896,4.422864947,0.326703383,0.326703383,0.871282153,0.064358924,0.795438181,0.374345698,0.374345698,5.076271713,2.996664981,8.545011628,0.806923229,1.544129578,3.670682993,0.208806036,0.208806036,0.897851778,0.051074111,0.547889322,0.155897053,0.119826295,4.088295066,1.576521494,5.824858195,0.846777667,0.82361267,4.630002394,0.359170202,0.359170202,0.865689162,0.067155419,0.871688884,0.461267019,0.461267019,5.348342798,3.454921024,9.400549105,0.798533743,1.794222923,4.399120967,0.324772916,0.324772916,0.871343097,0.064328451,0.786920548,0.377147658,0.195025478,5.048666799,2.962908136,8.475582984,0.807014646,1.359093683 +UMLRON0089,L,dimethylacetylene,CC#CC,10419,"""dimethylacetylene""","Sandia, UML",[1],C4H6,PubChem,,85.9,0,1.9957,3.98281849,25.8352,15.46793,0,0,15,5,10,0,5,0,0,0,0,0,0,0,0,0,731.481245,698.127364,719.379028,497.39693,160.526016,18.289152,0,0,0,2428.421953,2841.433771,3235.924087,2890.807515,1843.095563,559.5073998,0,0,0,104.88722,101.338384,168.922192,156.236168,186.188544,120.932352,0,0,0,18.39062905,22.2910431,27.40610355,25.84189198,20.03172529,8.003032287,0,0,0,2483.148301,2038.402901,3855.784317,3411.424979,4611.235353,3328.517736,0,0,0,28.77777778,34,44,44,39,18,0,0,0,48.76541633,49.86624029,29.97412617,22.60895136,5.945408,1.016064,0,0,0,161.8947969,202.9595551,134.8301703,131.4003416,68.26279863,31.08374443,0,0,0,6.992481333,7.238456,7.038424667,7.101644,6.895872,6.718464,0,0,0,1.226041937,1.592217364,1.141920981,1.174631454,0.741915752,0.444612905,0,0,0,165.54322,145.6002072,160.6576799,155.0647718,170.7864946,184.917652,0,0,0,1.918518519,2.428571429,1.833333333,2,1.444444444,1,0,0,0,0.030208386,0.002141191,-0.007363347,-0.024577509,0.001278007,0.013417465,0,0,0,403.5533633,-53.80711511,40.35533633,-309.3909119,-121.066009,242.132018,0,0,0,750.4247115,-100.0566282,75.04247115,-575.3256121,-225.1274134,450.2548269,0,0,0,0.079053333,-0.010540444,0.007905333,-0.060607556,-0.023716,0.047432,0,0,0,3.354747616,-0.447299682,0.335474762,-2.571973172,-1.006424285,2.01284857,0,0,0,18.22304229,-2.429738973,1.822304229,-13.97099909,-5.466912688,10.93382538,0,0,0,2.992592593,-0.93382716,0.908148148,-2.092839506,-1.12,1.742222222,0,0,0,0.002013892,1.53E-04,-3.07E-04,-0.00111716,4.73E-05,7.45E-04,0,0,0,26.90355756,-3.843365365,1.681472347,-14.06322327,-4.483926259,13.45177878,0,0,0,50.0283141,-7.146902014,3.126769631,-26.15116419,-8.33805235,25.01415705,0,0,0,0.005270222,-7.53E-04,3.29E-04,-0.002754889,-8.78E-04,0.002635111,0,0,0,0.223649841,-0.031949977,0.013978115,-0.116907871,-0.037274974,0.111824921,0,0,0,1.214869486,-0.173552784,0.075929343,-0.635045413,-0.202478248,0.607434743,0,0,0,0.199506173,-0.06670194,0.037839506,-0.095129068,-0.041481481,0.096790123,0,0,0,0.075943586,-0.152344849,-0.554726506,0.023503541,0.370136317,0,0,0,-0.142857143,0.0625,-0.522727273,-0.166666667,0.5,0,0,0,-0.142857143,0.0625,-0.522727273,-0.166666667,0.5,0,0,0,-0.142857143,0.0625,-0.522727273,-0.166666667,0.5,0,0,0,-0.142857143,0.0625,-0.522727273,-0.166666667,0.5,0,0,0,-0.142857143,0.0625,-0.522727273,-0.166666667,0.5,0,0,0,-0.334335219,0.189665842,-0.476822682,-0.207920792,0.485148515,0,0,0,1.199472011,1.386406537,1.775316849,0.588015063,1.43E-05,0,0,0,1.5,0.9625,1.622727273,0.933333333,0,0,0,0,1.5,0.9625,1.622727273,0.933333333,0,0,0,0,1.5,0.9625,1.622727273,0.933333333,0,0,0,0,1.5,0.9625,1.622727273,0.933333333,0,0,0,0,1.5,0.9625,1.622727273,0.933333333,0,0,0,0,1.726485149,0.703898515,1.630288029,1.03960396,0,0,0,0,12.59144058,6.295720288,9.123201958,12.59144058,2.518288115,6.299815432,-1.78E-15,0.025578131,0.005115626,-1.833008777,16.75409987,3.350819973,1.409321498,12.59144058,6.295720288,9.123201958,12.59144058,2.518288115,6.299815432,-1.78E-15,0.025578131,0.005115626,-1.833008777,16.75409987,3.350819973,1.409321498,12.59144058,6.295720288,9.123201958,12.59144058,2.518288115,6.299815432,-1.78E-15,0.025578131,0.005115626,-1.833008777,16.75409987,3.350819973,1.409321498,12.59144058,6.295720288,9.123201958,12.59144058,2.518288115,6.299815432,-1.78E-15,0.025578131,0.005115626,-1.833008777,16.75409987,3.350819973,1.409321498,12.59144058,6.295720288,9.123201958,12.59144058,2.518288115,6.299815432,-1.78E-15,0.025578131,0.005115626,-1.833008777,16.75409987,3.350819973,1.409321498,12.59144058,6.295720288,9.123201958,12.59144058,2.518288115,6.299815432,-1.78E-15,0.025578131,0.005115626,-1.833008777,16.75409987,3.350819973,1.409321498,13.52544494,6.749389138,9.685484733,13.50944494,2.701888989,6.751858388,-0.026666667,0.042162406,0.008432481,-1.583113155,17.95256293,3.590512587,1.443866443,0,11.89,12.11005553,-0.173417077,0.049537652,5.301742651,7.065138513,4,14,13,13,3,1,1,0,0,1,10.93207,3.497040049,2.651869517,2.333552793,1.671971934,0.356070345,0.083923071,0.083923071,0.083923071,1.844031176,1.408750484,1.249629723,0.672400974,0.083923071,0.083923071,0.083923071,0.083923071,3.518085437,2.707494585,2.405454588,1.751802349,0.481023262,0.270913902,0.270913902,0.270913902,1.788895093,1.30824966,1.134540686,0.548519172,0.270913902,0.270913902,0.270913902,0.270913902,3.614795232,2.945683964,2.704236987,2.081423913,0.959218533,0.943918427,0.943918427,0.943918427,1.63490963,0.991666913,0.76031856,0.14278982,0.943918427,0.943918427,0.943918427,0.943918427,3.533814008,2.748193567,2.457539916,1.809545567,0.569417198,0.399277246,0.399277246,0.399277246,1.754477933,1.242410912,1.058262671,0.466249758,0.399277246,0.399277246,0.399277246,0.399277246,3.664326084,3.056830088,2.838982085,2.228586844,1.207644823,1.207644823,1.207644823,1.207644823,1.589649667,0.886510187,0.631337262,0.001402598,1.150753904,1.207644823,1.207644823,1.207644823,3.530483688,2.806087301,2.527114381,1.868779267,0.613411865,0.517241379,0.517241379,0.517241379,1.740350938,1.169007688,0.975390243,0.392162117,0.517241379,0.517241379,0.517241379,0.517241379,0,0,0,1,1,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.288675135,0,0,0,0.40824829,0,0,0.288675135,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,4.077350269,1.866025404,1.366025404,0.577350269,0,0,0,0,0.815470054,0.466506351,0.341506351,0.288675135,0,0,0,0,7.709139019,14.43918427,13.62745098,13.8,8.992772455,115.1412754,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.89869,24.835,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,3,0,1,0,0,0,0,0,0,0,0,3,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.462962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331944444,0,0,0,0.870833333,0,0.331944444,0,0,0,0,0,0,0,0,6.203703704,0,0,0,2.083333333,0,0,0,0,1.37962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.37962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331944444,0,0,0,0.290277778,0,0.331944444,0,0,0,0,0,0,0,0,2.037037037,0,0,0,2.083333333,0,0,0,0,1.37962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331944444,0,0,0,0.290277778,0,0.331944444,0,0,0,0,0,0,0,0,2.083333333,0,0,0,2.083333333,0,0,0,0,1.37962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.666666667,1.933333333,0.331944444,2.083333333,0.097222222,1.37962963,3.068805556,0.287037037,0.083333333,0.574074074,0.287037037,0.083333333,0.574074074,2.5,0.5,0,0,0.43333,0.7,0.41765,0.41765,0.7,0.01569,0.01569,0,0,0.71429,0,0,0.6,0.2,0,3,0.6,2,0.4,1,0.2,-1,-0.2,0,0,3.50831,0.70166,4.43249,0.92419,0.18484,1.61803,0.32361,2.27005,0.65201,0.1304,0.14395,0.02879,0.14395,0.02879,0,4,0,0,0,0,0,0,0.6,0.918295834,1.687943095,1.871602261,2.422579762,1.901661016,0.993156857,13.77443751,25.31914642,28.07403392,36.33869643,28.52491524,14.89735285,0.235045188,0.43204258,0.479051618,0.620078731,0.486745397,0.254206467,2.988594762,2.218947501,2.035288334,1.484310834,2.00522958,2.913733739,0.235045188,0.43204258,0.479051618,0.620078731,0.486745397,0.254206467,6.73287657,12.53178928,14.73569928,15.2909882,9.039963247,1.000928341,19.74937501,15.7245272,13.57936725,14.16553733,11.04002485,4.565784285,5,2.25,4,5,2,4,2.01,0.7701,1.144714243,1.889881575,2.381101578,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,2.186,4,2,0,0,0,0,0,0,0,15,1.791759469,2.079441542,1.609437912,0,0,0,0,0,0,0,3.091042453,1.4,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.75,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,0,92.39992313,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,70.07825032,4.671883355,8.696801932,1.739360386,0,0,0,18,2,2.372,16,1.199294861,2.069147807,3.035533242,3.665862874,4.244493343,0,0,0,0,0,69.75693924,73.04912602,74.00039688,22.77750228,4.312676884,0,0,0,0,0,266.6622848,311.2129086,413.7735706,257.6520978,131.9347463,0,0,0,0,0,8.712890055,14.63953344,21.58930139,25.31467977,28.51647572,0,0,0,0,0,2.035707459,2.56174015,3.655270906,2.779015891,1.887156515,0,0,0,0,0,172.6348307,326.9161713,468.4270876,623.2634339,784.8817431,0,0,0,0,0,3.027026626,4.033399372,6.186634625,5.383716066,4.244493343,0,0,0,0,0,0.422624373,0.540327396,0.778182128,0.611760957,0.434636118,0,0,0,0,0,264.2921107,80.07118298,7.877612661,95.22651662,-28.8502741,-5.734700382,169.0655941,108.9214571,13.61231304,0.735127725,0.222717759,0.021911556,0.264872275,-0.080246952,-0.015951052,95.01793683,28.78708179,2.83214849,34.23570654,-10.37221094,-2.061731609,0.187707827,0.291737422,4.177396507,8.394894879,359.5186273,0,1,0,270.9391488,16.46022931,6.47078923,371.2299077,19.26732747,7.187000126,387.6811933,19.68962146,7.291634837,1.366185992,1.162050534,192.7983454,139.8828763,62.52863628,1.378284109,3.083360791,2.237101024,3.26702714,3.212995232,5.291360521,0.646862239,4.144994086,3.099952019,1.342133078,5.707463885,4.54491705,6.794926374,2.51730455,3.115908412,1.98276274,0.025732023,3.10E-22,7.22E-64,3.24E-127,2.80E-212,4.68053E-319,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.34786551,3.093319822,0.108679681,3.852787428,1.205665275,0.302697058,0.412342279,0.185188019,0.013964825,1.81E-04,2.19E-24,5.09E-66,2.28E-129,1.97E-214,3.295E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.122940405,3.093763086,0.353438143,4.111378791,1.72838366,1.153441697,0.663420921,0.648091399,0.145523733,0.001888585,2.28E-23,5.30E-65,2.38E-128,2.06E-213,3.435E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.912536595,3.099223893,1.264140032,5.551474268,4.284278982,6.229629303,2.325261383,2.888620383,1.766605949,0.022926769,2.77E-22,6.43E-64,2.89E-127,2.50E-212,4.17026E-319,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.655005021,3.094337721,0.523540253,4.324520469,2.134392389,1.878327555,0.888805318,1.006039109,0.316096835,0.004102259,4.95E-23,1.15E-64,5.17E-128,4.47E-213,7.4614E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.005679543,3.103013673,1.633724246,6.333219348,5.573766399,9.078545149,3.300088832,4.01180809,2.891672902,0.037527737,4.53E-22,1.05E-63,4.73E-127,4.09E-212,6.8261E-319,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.217894098,2.938106492,0.62901952,4.651977939,2.637310277,2.676575327,1.172764841,1.401701647,0.530465881,0.006884311,8.30E-23,1.93E-64,8.67E-128,7.50E-213,1.2522E-319,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.855059061,1.457822529,0.317950926,0.616532568,0.314807872,0.572967044,0.505983963,0.399991232,4.630832516,5.533454116,11.48765225,0.424798851,1.478942239,1.927368755,0.829528085,0.068545206,0.682147687,0.29359232,0.262927158,0.16584188,0.018590217,2.825442047,1.787778575,4.722811143,0.52322153,0.447359254,2.295069456,1.079814021,0.167601063,0.647869999,0.304818273,0.371401128,0.279660085,0.111143436,3.54248454,3.043882235,7.001723804,0.471804999,0.762204649,2.832026083,1.442333708,0.311776343,0.617518975,0.314498669,0.563807317,0.495434858,0.384606484,4.586136135,5.417370948,11.27702823,0.426278462,1.443848659,2.459318181,1.191027377,0.211754335,0.636782644,0.308388548,0.42596065,0.339484856,0.177416866,3.862099893,3.702091778,8.184444529,0.455173966,0.942862372,2.927185861,1.506297195,0.337281897,0.613567403,0.315734942,0.602133734,0.53969994,0.4501076,4.770764952,5.904545425,12.16245771,0.420351104,1.591941274,2.832389185,1.442083139,0.311287284,0.617648858,0.314469851,0.563961616,0.495291808,0.383400826,4.585759609,5.415129568,11.27235475,0.426473287,1.44265425 +UMLRON0090,L,2-Methyl-2-Butene,CC=C(C)C,10553,,"Sandia, UML",[1],C5H10,PubChem,,97.3,0,2.3078,5.32594084,28.8584,17.22793,0,0,16,6,10,0,6,0,0,0,0,0,0,0,0,0,875.745366,842.391485,994.784118,819.198244,254.334528,25.4016,0,0,0,2851.938855,3264.950672,3937.13753,3988.799934,2667.737261,777.0936108,0,0,0,112.427736,108.8789,170.167128,172.514704,222.974208,167.9616,0,0,0,21.17952905,25.0799431,31.42574634,33.4264862,27.60624106,11.11532262,0,0,0,2609.942657,2165.197258,3771.33283,3569.628379,5281.462779,4622.941301,0,0,0,41.55555556,43.44444444,53.33333333,67.66666667,62,25,0,0,0,54.73408538,56.15943233,41.44933825,34.13326017,7.947954,1.016064,0,0,0,178.2461784,217.6633782,164.0473971,166.1999973,83.36678939,31.08374443,0,0,0,7.0267335,7.258593333,7.090297,7.188112667,6.967944,6.718464,0,0,0,1.323720566,1.671996207,1.309406097,1.392770258,0.862695033,0.444612905,0,0,0,163.121416,144.3464838,157.1388679,148.7345158,165.0457118,184.917652,0,0,0,2.597222222,2.896296296,2.222222222,2.819444444,1.9375,1,0,0,0,0.043717218,-0.009200838,0.011956837,-0.027175953,-0.033815446,0.036376791,0,0,0,453.9975338,-47.29140977,136.1992601,-378.3312781,-363.198027,425.6226879,0,0,0,844.2278004,-87.94039587,253.2683401,-703.523167,-675.3822403,791.4635629,0,0,0,0.088935,-0.009264062,0.0266805,-0.0741125,-0.071148,0.083376562,0,0,0,3.774091068,-0.393134486,1.13222732,-3.14507589,-3.019272855,3.538210376,0,0,0,20.50092258,-2.135512769,6.150276775,-17.08410215,-16.40073807,19.21961492,0,0,0,7.527777778,-3.404513889,3.263888889,-1.847222222,-7.027777778,5.251736111,0,0,0,0.002732326,-6.13E-04,4.98E-04,-0.001132331,-0.001056733,0.001455072,0,0,0,28.37484586,-3.152760651,5.674969172,-15.76380326,-11.34993834,17.02490752,0,0,0,52.76423752,-5.862693058,10.5528475,-29.31346529,-21.10569501,31.65854251,0,0,0,0.005558437,-6.18E-04,0.001111688,-0.003088021,-0.002223375,0.003335062,0,0,0,0.235880692,-0.026208966,0.047176138,-0.131044829,-0.094352277,0.141528415,0,0,0,1.281307661,-0.142367518,0.256261532,-0.71183759,-0.512523065,0.768784597,0,0,0,0.470486111,-0.226967593,0.13599537,-0.076967593,-0.219618056,0.210069444,0,0,0,-0.22449341,0.182336044,-0.414420288,-0.386752033,0.532539523,0,0,0,-0.111111111,0.2,-0.555555556,-0.4,0.6,0,0,0,-0.111111111,0.2,-0.555555556,-0.4,0.6,0,0,0,-0.111111111,0.2,-0.555555556,-0.4,0.6,0,0,0,-0.111111111,0.2,-0.555555556,-0.4,0.6,0,0,0,-0.111111111,0.2,-0.555555556,-0.4,0.6,0,0,0,-0.482410824,0.289052891,-0.163591636,-0.466789668,0.446494465,0,0,0,1.377154001,0.704630441,1.581273265,1.346527169,0.055685265,0,0,0,1.333333333,0.833333333,1.666666667,1.25,0,0,0,0,1.333333333,0.833333333,1.666666667,1.25,0,0,0,0,1.333333333,0.833333333,1.666666667,1.25,0,0,0,0,1.333333333,0.833333333,1.666666667,1.25,0,0,0,0,1.333333333,0.833333333,1.666666667,1.25,0,0,0,0,1.712177122,0.424354244,1.429889299,1.556734317,0,0,0,0,16.5764315,8.288215752,12.5025355,16.5764315,2.762738584,8.288899278,5.33E-15,9.99E-16,1.67E-16,-20.7237456,14.94438308,2.490730514,1.622601309,16.5764315,8.288215752,12.5025355,16.5764315,2.762738584,8.288899278,5.33E-15,9.99E-16,1.67E-16,-20.7237456,14.94438308,2.490730514,1.622601309,16.5764315,8.288215752,12.5025355,16.5764315,2.762738584,8.288899278,5.33E-15,9.99E-16,1.67E-16,-20.7237456,14.94438308,2.490730514,1.622601309,16.5764315,8.288215752,12.5025355,16.5764315,2.762738584,8.288899278,5.33E-15,9.99E-16,1.67E-16,-20.7237456,14.94438308,2.490730514,1.622601309,16.5764315,8.288215752,12.5025355,16.5764315,2.762738584,8.288899278,5.33E-15,9.99E-16,1.67E-16,-20.7237456,14.94438308,2.490730514,1.622601309,16.5764315,8.288215752,12.5025355,16.5764315,2.762738584,8.288899278,5.33E-15,9.99E-16,1.67E-16,-20.7237456,14.94438308,2.490730514,1.622601309,24.98306185,12.30634574,19.32115931,24.73614827,4.122691378,12.30635641,-0.37037037,2.22E-16,3.70E-17,-21.62619203,14.16027914,2.360046523,1.590264481,0,11.89,12.11007471,-0.157858911,0.062724554,5.888625,7.872973656,5,15,13,13,3,2,2,0,0,2,10.93207,3.578401688,2.895602712,2.23555508,2.212949331,0.919384442,0.083923071,0.083923071,0.083923071,1.857178796,1.476745966,1.131804982,1.088749103,0.048277875,0.083923071,0.083923071,0.083923071,3.594602166,2.933011784,2.305265655,2.280775724,1.010448691,0.270913902,0.270913902,0.270913902,1.810926156,1.391002997,1.018798055,0.977485712,0.157764507,0.270913902,0.270913902,0.270913902,3.670004833,3.102713921,2.596671519,2.564518586,1.376536215,0.943918427,0.943918427,0.943918427,1.685918207,1.137304539,0.651588094,0.618071174,0.558110648,0.943918427,0.943918427,0.943918427,3.606753205,2.960900533,2.355882635,2.330029629,1.075965391,0.399277246,0.399277246,0.399277246,1.782465735,1.336109857,0.943896579,0.903936883,0.233986643,0.399277246,0.399277246,0.399277246,3.709352464,3.187335675,2.728690949,2.693326823,1.531358408,1.207644823,1.207644823,1.207644823,1.650230441,1.059076599,0.525368616,0.495035576,0.710226205,1.207644823,1.207644823,1.207644823,3.583320607,3.023820308,2.41021635,2.409891945,1.026169371,0.45,0.45,0.45,1.828103927,1.334689052,0.881020991,0.785017277,0.175412665,0.45,0.45,0.45,0,0,2,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.666666667,0,0.333333333,0,0.353553391,0,0.125,0,1.333333333,0,0,0.603553391,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,4.414213562,1.957106781,1.560660172,0.728553391,0,0,0,0,0.73570226,0.391421356,0.260110029,0.182138348,0,0,0,0,8.709139019,15.43918427,14.62745098,14.8,9.992772455,121.8839701,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,1.99098,29.088,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,24,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,2,0,2,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.439814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.813194444,0,0,0,0,0.667361111,0,0.813194444,0,0,0,0,0,0,0,0,3.893518519,7.310185185,0,0,0,0,0,0,0,2.12962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.064814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0,0.333680556,0,0.406597222,0,0,0,0,0,0,0,0,1.946759259,3.655092593,0,0,0,0,0,0,0,1.064814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.655092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0,0.333680556,0,0.406597222,0,0,0,0,0,0,0,0,1.946759259,3.655092593,0,0,0,0,0,0,0,1.064814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,2.222222222,0.406597222,3.655092593,0.159722222,1.064814815,3.706361111,0.601851852,0.655092593,2.62037037,0.601851852,0.655092593,2.62037037,3,0.5,0,0,0.45,0.7,0.42,0.42,0.7,0.03,0.03,0,0,0.71429,0,0,0.66667,0.33333,0,5.5,0.91667,2.5,0.41667,3,0.5,0.5,0.08333,0,0,3.25381,0.5423,6.13075,2.87694,0.47949,1.39143,0.2319,2.64272,1.25129,0.20855,0.27128,0.04521,0.27128,0.04521,0,5,0,0,0,0,0,0,0.333333333,0.954434003,2.155639062,2.155639062,2.155639062,1.780639062,1.030639062,15.27094405,34.490225,34.490225,34.490225,28.490225,16.490225,0.238608501,0.538909766,0.538909766,0.538909766,0.445159766,0.257659766,3.045565997,1.844360938,1.844360938,1.844360938,2.219360938,2.969360938,0.233502796,0.527378265,0.527378265,0.527378265,0.435634312,0.252146405,6.794779896,14.53870385,14.53870385,14.53870385,10.03870385,1.038703846,23.34095565,18.68383437,18.68383437,18.68383437,14.18383437,5.183834373,6,2.222222222,3,6,4,4,2.12,0.868,2.289428485,0,5.656854249,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.123,0.112,0.159,0.31,2.508,6,4,0,0,0,0,0,0,0,21,2.079441542,2.397895273,2.302585093,0,0,0,0,0,0,0,3.496507561,1.523809524,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,3,0.6,0,2,3,0.5,2,0.888888889,0,0,0,0,0,0,0,0,0.4,0.148148148,0,0,0,0,0,0,0,0,0.548148148,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,0,107.0594491,3.584962501,3.135494216,3.761200116,4.465908119,5.141663557,5.837730447,6.52649486,7.220373837,7.912423121,8.605753368,63.60704164,2.397895273,0,3.555348061,0,4.875197323,0,6.244166901,0,7.626082758,7.917536354,82.07825032,5.129890645,10.52364588,1.75394098,0,0,0,29,4,2.74,22,1.2058,2.103140854,3.014169918,3.603055153,4.086345379,0,0,0,0,0,76.31606112,98.22315218,107.5028765,29.13964135,4.151988431,0,0,0,0,0,282.5498053,375.7344117,511.7481698,304.1668881,127.0189154,0,0,0,0,0,8.779927494,14.97813319,21.6809745,25.12397969,27.45396432,0,0,0,0,0,2.125102836,2.938803978,4.256606769,3.138658552,1.816841889,0,0,0,0,0,172.3399025,325.7715288,447.3908249,593.2276203,755.6373929,0,0,0,0,0,3.575459259,4.963228933,8.623080669,6.999027361,4.086345379,0,0,0,0,0,0.4399995,0.614205587,0.896685111,0.685052609,0.418441767,0,0,0,0,0,309.2662348,117.9708465,11.67110088,193.000374,-73.62076727,-12.47425795,116.2658608,191.5916138,24.14535883,0.615741181,0.234876945,0.023236864,0.384258819,-0.146577069,-0.024835929,155.334103,59.25281701,5.86200426,96.93764335,-36.97725312,-6.265403236,0.140902911,0.250435667,4.479216643,12.05794777,502.2666088,0,1,0,370.182533,19.2401282,7.180234712,467.902143,21.63104581,7.763394903,578.7138514,24.05647213,8.333382042,1.185939446,1.147822429,233.6393907,141.1662176,99.21487011,1.655065884,2.354882796,1.422833265,3.371434982,3.315270577,5.382426024,0.62352541,3.115673953,2.684985972,3.441076907,7.507174462,2.094273008,7.555355777,2.734866297,11.25484251,1.593055025,0.255055864,2.73E-17,5.73E-55,2.32E-114,1.81E-195,2.72E-298,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.261509045,2.212051727,0.194727875,3.832533686,0.041021319,1.331159649,0.312267608,0.315652638,0.011220026,0.001796379,1.92E-19,4.03E-57,1.63E-116,1.27E-197,1.92E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844104946,2.243654386,0.689947785,4.552383624,0.201951714,2.249533547,0.704846665,1.433357622,0.11692125,0.018719657,2.00E-18,4.20E-56,1.70E-115,1.33E-196,2.00E-299,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.94094402,2.633062025,3.183106863,7.271523838,1.877238155,7.049747539,2.550498858,10.19062636,1.419383353,0.227250183,2.43E-17,5.10E-55,2.06E-114,1.61E-195,2.42E-298,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.24403877,2.284628662,1.079613904,5.055511751,0.38908498,2.984519331,1.004603517,2.531758032,0.253968555,0.040661597,4.35E-18,9.13E-56,3.69E-115,2.88E-196,4.34E-299,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.762620247,2.903319109,4.463476085,8.391822335,3.001560842,9.568832443,3.45843673,15.64311148,2.323321005,0.371975007,3.98E-17,8.35E-55,3.38E-114,2.64E-195,3.97E-298,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.553916681,1.626787607,0.998101755,4.830441275,0.486803783,4.323247037,1.14230664,3.08540958,0.322593667,0.051648812,5.53E-18,1.16E-55,4.69E-115,3.66E-196,5.51E-299,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.692767283,1.888626776,0.209042269,0.562113156,0.394249427,0.579538551,0.468750744,0.25,4.790436327,6.043337398,11.89688586,0.434543874,1.298289295,1.678687938,1.167594706,0.041041971,0.581399102,0.404386365,0.238538616,0.206331718,0.009636697,2.887324614,2.076844197,5.044612188,0.478678201,0.454507031,2.051430463,1.445521745,0.104042352,0.56968441,0.401422918,0.343994447,0.296419398,0.061928721,3.60099456,3.329218476,7.23873891,0.456660993,0.702342566,2.664612229,1.869727616,0.204486295,0.562293731,0.394555014,0.56773341,0.460559977,0.239221496,4.738826141,5.909309427,11.66690655,0.435273118,1.267514882,2.230300227,1.572356922,0.133641904,0.566598268,0.399450575,0.402692237,0.341722711,0.10217793,3.936299053,4.015022343,8.419980568,0.449073266,0.846592878,2.781944145,1.948252569,0.223449926,0.561595194,0.393296638,0.617818546,0.495108356,0.285648678,4.953646639,6.476891931,12.64162149,0.432337748,1.398575581,2.652299043,1.880670126,0.203410926,0.559984416,0.397069088,0.56304857,0.468367042,0.236712037,4.736380094,5.91015503,11.66116908,0.435580257,1.268127649 +UMLRON0091,L,"2,3-dimethyl-1,3-butadiene",CC(=C)C(=C)C,10566,,UML,[1],C6H10,PubChem,,99.2,0,2.7426,7.52185476,43.8018,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1921.920348,1903.721747,1032.131188,248.409504,18.289152,0,0,4184.657049,5188.491512,7083.005766,7704.005434,6156.908624,2997.771428,559.5073998,0,0,148.486212,153.276228,257.716848,281.441036,340.543696,329.671296,120.932352,0,0,30.43545486,38.46263172,54.17148079,60.51927787,55.4690298,33.38218473,8.003032287,0,0,3360.161029,2978.619777,5482.629357,5745.759462,7467.135254,8303.73542,3328.517736,0,0,44.33333333,54.22222222,76.77777778,89.33333333,94,66,18,0,0,62.40808843,68.74581643,53.38667633,48.81337813,21.50273308,5.175198,1.016064,0,0,199.2693833,247.0710244,196.7501602,197.5386009,128.2689297,62.45357141,31.08374443,0,0,7.070772,7.298868,7.158801333,7.216436821,7.094660333,6.868152,6.718464,0,0,1.449307374,1.831553891,1.504763355,1.551776356,1.155604788,0.695462182,0.444612905,0,0,160.0076681,141.839037,152.2952599,147.3271657,155.5653178,172.9944879,184.917652,0,0,2.111111111,2.582010582,2.132716049,2.290598291,1.958333333,1.375,1,0,0,0.040175925,0.001528222,0.003180759,-0.016421178,-0.036545608,0.00575496,0.022414883,0,0,622.6251891,4.19E-13,229.7783436,-291.5467156,-783.2229562,133.4196834,400.2590502,0,0,1157.798126,-1.14E-13,427.2826418,-542.1435671,-1456.436532,248.0995985,744.2987955,0,0,0.121968,1.86E-15,0.045012,-0.057112,-0.153428,0.026136,0.078408,0,0,5.175896322,9.60E-15,1.910152214,-2.423633992,-6.510948945,1.10912064,3.327361921,0,0,28.11555097,4.22E-14,10.37597714,-13.16521831,-35.367578,6.024760922,18.07428277,0,0,4.285714286,-1.015873016,1.811791383,-0.62585034,-5.034013605,0.108843537,2.612244898,0,0,0.001913139,7.28E-05,8.84E-05,-4.21E-04,-7.61E-04,1.20E-04,0.001245271,0,0,29.64881853,2.00E-14,6.382731767,-7.475556809,-16.31714492,2.779576737,22.2366139,0,0,55.13324411,-5.41E-15,11.86896227,-13.9011171,-30.34242775,5.168741635,41.34993308,0,0,0.005808,8.85E-17,0.001250333,-0.00146441,-0.003196417,5.44E-04,0.004356,0,0,0.246471253,4.57E-16,0.053059784,-0.062144461,-0.13564477,0.02310668,0.18485344,0,0,1.33883576,2.01E-15,0.288221587,-0.3375697,-0.736824542,0.125515853,1.00412682,0,0,0.204081633,-0.048374906,0.050327538,-0.016047445,-0.104875283,0.002267574,0.145124717,0,0,0.038038258,0.046182946,-0.220086355,-0.397967276,0.06266925,0.650904646,0,0,6.73E-16,0.215277778,-0.252136752,-0.550347222,0.09375,0.75,0,0,-9.82E-17,0.215277778,-0.252136752,-0.550347222,0.09375,0.75,0,0,1.52E-14,0.215277778,-0.252136752,-0.550347222,0.09375,0.75,0,0,1.86E-15,0.215277778,-0.252136752,-0.550347222,0.09375,0.75,0,0,1.50E-15,0.215277778,-0.252136752,-0.550347222,0.09375,0.75,0,0,-0.237037037,0.246604938,-0.078632479,-0.513888889,0.011111111,0.711111111,0,0,1.010128376,0.92975357,1.330977265,1.37188559,0.727926988,0.145392138,0,0,1.111111111,0.810185185,1.296296296,1.498842593,0.729166667,0,0,0,1.111111111,0.810185185,1.296296296,1.498842593,0.729166667,0,0,0,1.111111111,0.810185185,1.296296296,1.498842593,0.729166667,0,0,0,1.111111111,0.810185185,1.296296296,1.498842593,0.729166667,0,0,0,1.111111111,0.810185185,1.296296296,1.498842593,0.729166667,0,0,0,1.395061728,0.633744856,1.056980057,1.555555556,0.875,0,0,0,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,33.20712428,16.19341682,22.14275614,33.18490205,3.687211339,16.19341724,-0.066666667,8.89E-17,9.87E-18,-33.26341335,5000010.682,555556.7425,13.88245555,0,11.85,12.15009716,-0.20991491,0.090205492,6.23875,8.758384778,9,21,18,15,3,3,0,0,0,6,13.118484,3.837367081,2.978981869,2.895422064,2.505534111,2.024738679,1.747803013,0.758189562,0.441365589,2.009891347,1.493916978,1.412097968,1.300321342,0.783323018,0.504273083,0.182039807,0.083923071,3.847131707,3.0085188,2.924654716,2.56616622,2.082600027,1.811386711,0.882494449,0.545672476,1.980075811,1.412300855,1.328237853,1.199849988,0.682662645,0.411135567,0.028878977,0.270913902,3.892686795,3.149926772,3.064662777,2.822720652,2.324156623,2.066152029,1.384071661,0.963720007,1.902365083,1.180117151,1.094655717,0.87156837,0.369849397,0.112224304,0.526193268,0.943918427,3.854454913,3.030937363,2.946831905,2.610375339,2.124567978,1.856928308,0.97215515,0.621114151,1.962054508,1.360731895,1.2757869,1.132925399,0.617333107,0.350539445,0.077669619,0.399277246,3.916684571,3.224500232,3.138866256,2.940349198,2.434292052,2.176025562,1.59693027,1.207644823,1.880701512,1.11246322,1.027514451,0.759509312,0.264988018,0.005459046,0.734907754,1.133948601,3.838651519,3.055466305,2.993656732,2.688847821,2.193688616,1.880015497,1.071558134,0.657550841,1.971239809,1.3069968,1.20234035,1.040006601,0.540885432,0.325476185,0.1839803,0.529411765,0,0,0,3,3,3,0,0,0,0,0,0,0.068041382,0.204124145,0,0,0,0.024056261,0.072168784,0.663854611,0,0.272165527,0,0.413675135,0,0.144337567,0,1.733969088,1.979392051,2.190389772,0.994016936,0.968233513,0.904237747,6.853371151,4.215214055,3.744588185,3.114068787,1.848425766,1.072102901,0.526099421,0.136082763,0.761485683,0.468357117,0.312049015,0.222433485,0.142186597,0.089341908,0.07515706,0.068041382,6.232050808,3.244016936,2.516808827,1.875462792,0.897791891,0.42012099,0.19245009,0.048112522,0.69245009,0.360446326,0.209734069,0.133961628,0.069060915,0.035010083,0.02749287,0.024056261,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,1.77066,37.362,36.67290345,48.67889424,73.3458069,8.1495341,36.67290345,0.016616204,0.001846245,-3.687639223,421.5163183,46.83514647,5.439472642,63,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.56018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.201944444,0,0,0,0,1.201944444,0,0,0,0,0,0,0,0,6.439814815,0,0,0,0,6.377314815,0,0,0,0,4.18287037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.384259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0,0,0,0,0.396597222,0,0,0,0,0,0,0,0,2.141203704,0,0,0,0,2.094907407,0,0,0,0,1.384259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.141203704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40875,0,0,0,0,0.40875,0,0,0,0,0,0,0,0,2.157407407,0,0,0,0,2.141203704,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17,1.888888889,0.40875,2.157407407,0.131944444,1.384259259,5.525391204,0.282407407,0.157407407,1.634259259,0.282407407,0.157407407,1.634259259,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.33333,0.33333,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.86262,0.6514,10.4931,4.63048,0.5145,2.06158,0.22906,4.21519,2.15362,0.23929,0.19881,0.02209,0.28481,0.03165,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.128085279,2.390455517,2.652825755,3.236857303,3.332095399,20.68979086,44.68979086,50.19956586,55.70934087,67.97400337,69.97400337,0.224307135,0.484501705,0.544235602,0.6039695,0.736936107,0.758618988,3.407089287,2.264232144,2.001861906,1.739491667,1.155460119,1.060222024,0.214882485,0.464144533,0.521368608,0.578592683,0.70597247,0.726744308,6.75154531,15.36999611,18.51843897,20.22487205,21.86034747,20.909457,33.82580122,27.57483228,23.40077103,20.96590197,18.95755632,19.8604161,7.111111111,2.722222222,1.469387755,0,6,0,2.45,1.1391,0.908560296,2.9826782,5.181129588,0,2.381101578,4.585756412,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.1,0.505,0.68,4.372,12,14,13,12,7,2,0,0,0,78,2.564949357,3.157000421,3.630985476,3.986666548,4.342993404,3.944006051,2.784239339,0,0,0,5.619947865,3.524038462,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,4,0.333333333,2,1.555555556,0.6875,0.333333333,0,0,0,0,0,0,0.222222222,0.12962963,0.0625,0.083333333,0,0,0,0,0,0,0.497685185,18.64904007,25.47746719,37.29808014,4.144231127,18.6490401,3.10E-16,3.44E-17,-32.13980727,5000010.414,555556.7126,13.8824555,0,133.0544855,4.169925001,3.761200116,4.553876892,5.370638028,6.180016654,7.00033446,7.812378206,8.633552993,9.446123704,10.26747073,81.02559178,2.944438979,0,4.204692619,0,5.686975356,0,7.263329617,0,8.876125585,9.101863896,120.0939004,5.718757161,17.38253322,1.931392579,0,0,0,82,11,3.258,42,1.233300178,2.143629399,3.063002194,3.808373416,4.417137531,5.753812093,0,0,0,0,94.09564805,126.5087169,157.9266193,89.31497623,25.3200399,5.846241331,0,0,0,0,326.4685465,454.4984762,626.4631208,511.2230101,294.4239129,178.8500246,0,0,0,0,9.031490446,15.41305122,22.14189658,27.0767591,30.42612504,38.65677941,0,0,0,0,2.376896686,3.42021181,4.875732059,4.544322797,3.220350611,2.558219109,0,0,0,0,173.0750978,321.7322639,448.6912616,588.21507,757.0868878,1063.981422,0,0,0,0,3.280371767,4.776662573,7.164991882,7.631929236,6.295408236,5.753812093,0,0,0,0,0.489174207,0.709316992,1.015997098,0.968355347,0.710764932,0.589190358,0,0,0,0,254.4920433,110.8849962,9.44053182,77.6152718,-33.81783181,-3.902316437,176.8767715,144.702828,13.34284826,0.766294603,0.333883029,0.028426148,0.233705397,-0.101828024,-0.011750167,84.51866921,36.82571836,3.135269676,25.77659953,-11.23114932,-1.295987835,0.142361419,0.140564756,3.051697076,2.006939697,332.1073151,0,1,0,669.1530565,25.8679929,8.746651482,786.0344264,28.03630551,9.22884154,1158.124561,34.0312292,10.50151017,1.235244112,1.224160314,482.4556763,279.7379979,212.8332245,1.724669798,2.266825011,1.314353051,4.00314027,3.785389562,6.367568618,0.682143545,3.591901278,4.850430554,5.427785225,10.56066725,1.977932278,2.609761682,6.982469158,7.876717891,1.700725624,4.391223125,0.767629302,0.345905161,8.48E-18,4.01E-56,3.66E-116,6.45E-198,2.19E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,0.301552992,3.877877027,0.276499361,5.321234982,0.82780655,0.396421178,0.663107901,0.489602562,0.997041428,0.109068737,0.005406637,0.002436238,5.98E-20,2.83E-58,2.58E-118,4.54E-200,1.54E-303,0,0,0,0,0,0,0,0,0,0,0,0,0,0.973183225,3.942865295,1.009891843,6.073821689,0.92661062,0.819257222,1.950593857,1.692783718,1.135318736,0.523050257,0.056340061,0.025387482,6.23E-19,2.95E-57,2.69E-117,4.73E-199,1.61E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390468513,4.743652807,4.999895799,10.12780668,1.859423868,2.464019617,6.594742595,7.316695969,1.655750519,3.966305454,0.683943999,0.308195271,7.56E-18,3.58E-56,3.26E-116,5.74E-198,1.95E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,1.434236324,4.027125715,1.607791717,6.684540998,1.034806185,1.118117934,2.835134239,2.609197612,1.23183316,0.943848059,0.122377745,0.055145003,1.35E-18,6.40E-57,5.84E-117,1.03E-198,3.49E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,4.337716138,5.299416509,7.139838129,12.29064341,2.471327857,3.161009041,8.419022337,10.0726122,1.86940103,6.149311993,1.11951467,0.504470169,1.24E-17,5.85E-56,5.34E-116,9.40E-198,3.19E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,2.013495495,3.921882412,2.165315677,7.18895007,1.265050046,1.490571804,3.867392014,3.757069258,1.466937654,1.515632024,0.215149283,0.096949197,2.38E-18,1.13E-56,1.03E-116,1.81E-198,6.14E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,3.643898517,2.627863448,0.238927834,0.559679332,0.403622892,0.529869491,0.464723405,0.28569781,6.510689799,11.07416622,19.87274957,0.444953336,1.280290706,2.287925025,1.7951278,0.042087086,0.554629679,0.435167737,0.210232933,0.21810798,0.008864786,4.125139911,4.278961612,8.576958145,0.484696124,0.437205698,2.762095888,2.086774543,0.110960615,0.556893141,0.420735006,0.305249995,0.293812422,0.061618265,4.959831045,6.301905028,11.90129879,0.466442219,0.660680681,3.603007457,2.602790081,0.232995348,0.559578095,0.40423572,0.518080885,0.455933108,0.271686373,6.438792887,10.82379403,19.44758749,0.445720723,1.245700366,2.998430678,2.231898201,0.14526694,0.557785737,0.415190851,0.359355222,0.335780414,0.105610195,5.375595819,7.451985906,13.79973598,0.459464882,0.80074583,3.774908158,2.708187774,0.257934075,0.559989817,0.40174688,0.568536402,0.493452435,0.332959227,6.741030007,11.89537147,21.27330282,0.442605045,1.394948063,3.604454833,2.606457169,0.232695238,0.559384627,0.4045028,0.518511265,0.457232283,0.270986915,6.44360724,10.84010679,19.46985254,0.44583114,1.246730464 +UMLRON0092,L,"1,2,3-trimethylbenzene",CC1=C(C(=CC=C1)C)C,10686,Sandia values from independent api report ,Sandia,,C9H12,PubChem,,100.5,0,2.2271,4.95997441,48.2855,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2126.719909,2103.526668,1580.99492,718.458386,131.40288,6.096384,0,4670.34144,5841.481647,8080.20575,8804.055012,7755.436337,5307.58616,1974.740242,186.5024666,0,169.463656,175.052008,300.845524,364.481328,403.100576,378.012872,285.368832,40.310784,0,34.11358067,43.47862034,62.52810234,70.87464544,66.84090011,51.44133883,24.02519324,2.667677429,0,3856.790689,3411.659229,6375.036452,7779.467573,8994.286251,8788.273071,7512.180551,1109.505912,0,49.33333333,59.66666667,87.22222222,105,107.6666667,93.33333333,50,6,0,60.70275442,67.17251842,50.63618831,41.24562094,27.73675298,13.30478493,3.12864,1.016064,0,194.59756,243.3950686,192.3858512,172.6285296,136.0602866,98.28863259,47.0176248,31.08374443,0,7.060985667,7.293833667,7.162988667,7.146692706,7.07193993,7.00023837,6.794496,6.718464,0,1.421399194,1.811609181,1.488764342,1.38969893,1.17264737,0.952617386,0.572028411,0.444612905,0,160.6996121,142.1524679,151.7865822,152.5385799,157.7944956,162.7457976,178.8614417,184.917652,0,2.055555556,2.486111111,2.076719577,2.058823529,1.888888889,1.728395062,1.19047619,1,0,0.049361269,-0.003783465,-0.002323667,-0.010150859,-0.017188365,-0.020549315,0.020589208,0.008725828,0,706.2183858,-7.82E-14,136.1992601,-199.2544731,-355.6314014,-539.7526235,479.219619,126.110426,0,1313.243245,1.85E-13,253.2683401,-370.5222013,-661.311777,-1003.693052,891.1293449,234.5077223,0,0.138343333,2.23E-15,0.0266805,-0.039032583,-0.06966575,-0.105733833,0.093875833,0.024704167,0,5.870808328,1.37E-14,1.13222732,-1.656406635,-2.956371337,-4.486974937,3.983762794,1.04835863,0,31.89032402,-1.08E-13,6.150276775,-8.997627133,-16.05905602,-24.37331907,21.63986273,5.694700717,0,4.87037037,-1.12962963,1.699074074,-1.053240741,-0.881944444,-4.439814815,2.587962963,0.782407407,0,0.00205672,-1.58E-04,-5.53E-05,-1.99E-04,-3.02E-04,-3.81E-04,4.90E-04,0.001454305,0,29.42576608,-3.26E-15,3.242839527,-3.906950454,-6.239147394,-9.995418953,11.40999093,21.01840434,0,54.71846854,7.70E-15,6.030198574,-7.265141202,-11.601961,-18.58690836,21.21736535,39.08462039,0,0.005764306,9.28E-17,6.35E-04,-7.65E-04,-0.001222206,-0.001958034,0.002235139,0.004117361,0,0.244617014,5.71E-16,0.026957793,-0.032478561,-0.051866164,-0.083092128,0.094851495,0.174726438,0,1.328763501,-4.51E-15,0.146435161,-0.176424061,-0.281737825,-0.451357761,0.515234827,0.949116786,0,0.202932099,-0.047067901,0.040454145,-0.020651779,-0.01547271,-0.082218793,0.061618166,0.130401235,0,-0.076648445,-0.026899835,-0.096773744,-0.146617107,-0.185024188,0.238350069,0.707099171,0,-1.11E-16,0.110204082,-0.132773109,-0.212030075,-0.33968254,0.387755102,0.714285714,0,1.41E-16,0.110204082,-0.132773109,-0.212030075,-0.33968254,0.387755102,0.714285714,0,1.61E-14,0.110204082,-0.132773109,-0.212030075,-0.33968254,0.387755102,0.714285714,0,2.34E-15,0.110204082,-0.132773109,-0.212030075,-0.33968254,0.387755102,0.714285714,0,-3.40E-15,0.110204082,-0.132773109,-0.212030075,-0.33968254,0.387755102,0.714285714,0,-0.231939163,0.19934818,-0.101766943,-0.076245747,-0.405154204,0.303639326,0.642585551,0,1.16725437,0.933765831,1.123295804,1.097586412,1.200757206,0.524624741,0.340348408,0,1.15,0.93877551,1.159663866,1.17593985,1.241269841,0.375510204,0,0,1.15,0.93877551,1.159663866,1.17593985,1.241269841,0.375510204,0,0,1.15,0.93877551,1.159663866,1.17593985,1.241269841,0.375510204,0,0,1.15,0.93877551,1.159663866,1.17593985,1.241269841,0.375510204,0,0,1.15,0.93877551,1.159663866,1.17593985,1.241269841,0.375510204,0,0,1.421102662,0.712112982,1.07000671,1.058635181,1.44782425,0.449755568,0,0,38.28797683,19.14398841,27.35727793,38.28797683,3.828797683,19.14398844,7.11E-15,0.230446684,0.023044668,-1.467735751,100.5565113,10.05565113,4.610719871,38.28797683,19.14398841,27.35727793,38.28797683,3.828797683,19.14398844,7.11E-15,0.230446684,0.023044668,-1.467735751,100.5565113,10.05565113,4.610719871,38.28797683,19.14398841,27.35727793,38.28797683,3.828797683,19.14398844,7.11E-15,0.230446684,0.023044668,-1.467735751,100.5565113,10.05565113,4.610719871,38.28797683,19.14398841,27.35727793,38.28797683,3.828797683,19.14398844,7.11E-15,0.230446684,0.023044668,-1.467735751,100.5565113,10.05565113,4.610719871,38.28797683,19.14398841,27.35727793,38.28797683,3.828797683,19.14398844,7.11E-15,0.230446684,0.023044668,-1.467735751,100.5565113,10.05565113,4.610719871,38.28797683,19.14398841,27.35727793,38.28797683,3.828797683,19.14398844,7.11E-15,0.230446684,0.023044668,-1.467735751,100.5565113,10.05565113,4.610719871,47.69852692,23.51340887,34.9854788,47.60342113,4.760342113,23.51340887,-0.173333333,0.371916395,0.03719164,-0.989086194,47.10362226,4.710362226,3.852349904,0,11.89,12.11015511,-0.151531181,0.071757339,6.228245782,9.387130939,10,24,21,18,4,3,0,0,0,6,15.304898,3.82998424,3.21836674,2.869050417,2.511352721,2.333552793,2.040375571,1.225125403,0.758294751,2.013063287,1.681708048,1.412025077,1.249629723,1.014447498,0.767795719,0.438467017,0.23948207,3.84052816,3.248033876,2.900795774,2.5423055,2.405454588,2.097477069,1.321860205,0.883173386,1.981756688,1.612633163,1.327749955,1.134540686,0.935883133,0.672878267,0.291394492,0.071848869,3.889355384,3.38254711,3.051944454,2.704236987,2.684032506,2.332624182,1.725237538,1.397533545,1.899659651,1.410008959,1.084016631,0.76031856,0.713371865,0.376488385,0.199646279,0.509857251,3.848416746,3.270137692,2.924852053,2.5654187,2.457539916,2.138716694,1.392220797,0.974416439,1.962798063,1.568576208,1.274104532,1.058262671,0.886514595,0.611322356,0.192880161,0.041939747,3.914866816,3.449784754,3.131021875,2.838982085,2.756178364,2.438038884,1.905120094,1.617555831,1.8765634,1.347937115,1.012042737,0.647281227,0.631337262,0.275532993,0.372845349,0.725023361,3.847260644,3.264110794,2.981016428,2.627119052,2.556211565,2.192360498,1.420284965,1.088178051,1.97125681,1.543992227,1.190692897,0.949068708,0.809651615,0.554773075,0.125210997,0.169158608,0,0,0,4,2,3,0,1,0,0,0,0,0.083333333,0.131445856,0,0,0,0.027777778,0.043815285,0.705118357,0,0.232307808,0,0.516346035,0,0.131445856,0,1.498266827,2.174558379,2.133706448,0.907229279,1.173575314,0.956493242,7.560477932,4.715214055,4.169612481,3.034129906,2.335345682,1.341715763,0.565641142,0.240562612,0.756047793,0.471521406,0.320739422,0.202275327,0.145959105,0.09583684,0.070705143,0.048112522,6.886751346,3.770725942,3.011288554,1.810469848,1.234579548,0.537523693,0.207336156,0.080187537,0.688675135,0.377072594,0.231637581,0.12069799,0.077161222,0.03839455,0.025917019,0.016037507,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.83802,44.171,42.48714605,61.07011492,84.9742921,8.49742921,42.48714605,0.127985704,0.01279857,-2.055836709,60.63342718,6.063342718,4.104846345,76,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,4,0,0,0,0,0,0,0,0,3,0,0,0,0,4,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.40166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.576805556,0,0.93125,0,0,1.576805556,0,0,0,0,0,0,0,0,6.611111111,0,0,0,0,8.540555556,0.653888889,0,0,0,2.861111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.400462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375347222,0,0.285972222,0,0,0.375347222,0,0,0,0,0,0,0,0,2.162037037,0,0,0,0,2.084537037,0.653888889,0,0,0,1.400462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.194444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.410486111,0,0.359305556,0,0,0.410486111,0,0,0,0,0,0,0,0,2.224537037,0,0,0,0,2.194444444,0.653888889,0,0,0,1.460648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.66666667,1.866666667,0.410486111,2.224537037,0.104166667,0.653888889,6.259751111,0.679444444,0.224537037,2.303333333,0.679444444,0.224537037,2.303333333,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.3,0.3,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.21256,0.72126,12.12199,4.90943,0.49094,2.70236,0.27024,4.71519,2.01283,0.20128,0.19881,0.01988,0.28481,0.02848,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.367492461,3.15726823,3.323934896,3.355388542,3.490601563,23.51685016,56.81981907,75.77443751,79.77443751,80.52932501,83.77443751,0.213713581,0.516360267,0.688613752,0.724964467,0.731824642,0.761315182,3.605093744,2.21747004,1.427694271,1.261027604,1.229573959,1.094360938,0.206076118,0.497907145,0.664004822,0.699056475,0.705671489,0.734108128,6.772325919,17.88939319,21.43339272,21.60136356,22.54907792,22.68534898,37.92632204,26.78820795,21.37919844,20.85087761,19.75025104,19.34298282,8.1,3.408284024,1.991111111,2,6,0,2.56,1.28,0.944940787,3.37055691,4.952890873,0,3.965406457,5.553157574,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.147,0.132,0.49,0.657,4.666,13,15,16,14,8,5,2,0,0,93,2.63905733,3.157000421,3.630985476,4.040855877,4.385925275,3.944006051,3.662760043,2.784239339,0,0,5.775230663,3.453965054,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,5,0.666666667,2,1.333333333,0.875,0.302222222,0.125,0,0,0,0,0,0.2,0.102564103,0.072916667,0.037777778,0.0625,0,0,0,0,0,0.475758547,23.44376108,33.38613185,46.88752215,4.688752215,23.44376108,0.051500103,0.00515001,-2.966171475,58.6263138,5.86263138,4.071183637,0,150.3504702,4.321928095,3.850147602,4.634728988,5.459585514,6.263398263,7.090909822,7.899153483,8.726643416,9.536112711,10.36334614,83.82402594,3.044522438,0,4.290459441,0,5.752572639,0,7.311218384,0,8.912069098,9.141311786,134.1095504,5.587897935,19.38481891,1.938481891,0,0,0,114,12,3.834,46,1.235929323,2.155196633,3.001032187,3.734303883,4.414944946,5.089061907,6.244540072,0,0,0,92.76161773,120.091917,131.3250453,113.8264564,63.01894725,16.59593432,6.344852363,0,0,0,323.5789178,444.2771023,539.7713069,536.4661482,453.1684739,244.3598682,194.1036877,0,0,0,9.045833162,15.49815552,21.49728236,26.46946657,30.97750671,34.60187145,41.95371767,0,0,0,2.362509317,3.384479643,4.303497173,4.549477456,4.344471923,2.951744392,2.776403101,0,0,0,173.7497847,322.8773084,454.180654,584.9412366,712.9309298,908.3045026,1154.725688,0,0,0,3.153935111,4.653982839,6.316794967,7.255696453,7.817424495,6.119185159,6.244540072,0,0,0,0.486472119,0.70331228,0.901320242,0.963527952,0.937937175,0.662864899,0.639440903,0,0,0,288.0069464,145.8803282,10.68817394,82.48981278,-41.7824678,-4.621508546,205.5171336,187.662796,15.30968248,0.777353484,0.393742522,0.028848225,0.222646516,-0.112774179,-0.012473816,106.7056403,54.04818884,3.959933806,30.5622083,-15.48026891,-1.712253939,0.122494752,0.12140435,1.669258242,2.099901705,370.4967592,0,1,0,729.0594248,27.00110044,9.00024454,865.5271791,29.41984329,9.530014688,1306.903602,36.15112172,10.93321407,1.146561949,1.027904209,573.6406231,441.2355832,237.6830892,1.300077883,2.413468392,1.85640293,4.284907952,3.821429894,6.697982109,0.752742375,4.231360714,4.769015911,5.158656314,12.1884832,5.280115584,8.678472642,10.39327363,7.52718985,5.12461793,5.479156496,4.792232927,1.500183901,2.34E-04,1.53E-28,2.64E-74,9.79E-142,7.28E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0.355218392,4.76882933,0.29002458,6.622765441,1.08731872,1.67476629,1.606379464,1.015637174,1.426626111,0.311937843,0.185088443,0.010565918,1.65E-06,1.08E-30,1.86E-76,6.90E-144,5.13E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,1.146421676,4.768842253,1.029758141,7.467270343,1.496291762,2.618788949,2.999711193,2.040010436,2.044959935,1.104422184,0.740535147,0.110105011,1.72E-05,1.13E-29,1.94E-75,7.19E-143,5.34E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,3.994066058,4.768995587,4.770724873,11.74460376,4.865349111,8.077927534,9.713747288,7.020738507,4.849938523,5.070045889,4.373997314,1.336636847,2.09E-04,1.37E-28,2.35E-74,8.72E-142,6.49E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,1.689557927,4.768858595,1.612997111,8.133571657,1.909722754,3.41101059,4.075035431,2.833704116,2.509957924,1.726306821,1.236137371,0.239162796,3.74E-05,2.45E-29,4.21E-75,1.56E-142,1.16E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,5.109956015,4.769101268,6.697040746,13.94908831,6.995304441,11.09706781,13.07002882,9.524771316,6.196462944,7.099250456,6.495404137,2.18787723,3.42E-04,2.24E-28,3.85E-74,1.43E-141,1.06E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,2.375404451,3.967084936,2.21135274,8.651488062,2.633119554,4.360059628,5.539741866,3.875474009,3.326698638,2.585822308,1.940254259,0.430537472,6.73E-05,4.40E-29,7.58E-75,2.81E-142,2.09E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,3.835503013,2.250733,0.813722362,0.555873355,0.326195156,0.523845997,0.440728567,0.314294494,6.899958375,13.58519955,27.50977343,0.333810033,1.278869057,3.005573353,1.384808931,0.392452554,0.628408351,0.289537268,0.3187807,0.167627528,0.072999036,4.782834838,5.885161564,12.30144077,0.442612526,0.559407265,3.295979152,1.696726024,0.542087584,0.595501818,0.306556379,0.383746717,0.25191636,0.139361344,5.53479276,8.298857088,16.86520614,0.393252727,0.775024421,3.810494092,2.225765635,0.80130894,0.557287872,0.325520041,0.51675659,0.431215612,0.304767658,6.837568667,13.31817569,26.95185926,0.335931808,1.25273986,3.440624429,1.848466528,0.615713944,0.582682152,0.313044471,0.418742815,0.298823841,0.17983524,5.9048049,9.616446143,19.43711728,0.374023229,0.897401897,3.915620466,2.330264537,0.853376529,0.551553207,0.328240413,0.546966302,0.471620683,0.345711355,7.099261532,14.45452317,29.3403604,0.327329811,1.364298339,3.815868394,2.228847537,0.801997656,0.557328468,0.325535384,0.518153909,0.432460526,0.30529684,6.846713587,13.35283688,27.02053161,0.335992702,1.255911275 +UMLRON0093,L,o-cymene,CC1=CC=CC=C1C(C)C,10703,"""O-CYMENE""; RON uses equivlaent mL TEL (+0.6); RON from [14]","Sandia, UML","[1], [14]",C10H14,PubChem,,100.6,0,0.2532,0.06411024,26.5582,13.602758,5,5,12,6,6,0,5,0,1,0,0,0,0,0,0,0,983.38499,1034.02699,1269.580339,468.052034,100.92096,6.096384,0,0,0,2520.477752,2987.946309,3695.413908,2237.162376,1042.227909,186.5024666,0,0,0,91.36508,92.935624,146.831332,132.814856,83.814912,40.310784,0,0,0,17.25538143,20.51554586,25.95058118,18.04922022,10.6868061,2.667677429,0,0,0,1928.928978,1732.599367,2932.125024,2774.325781,1964.65099,1109.505912,0,0,0,37.02777778,39.5,56.83333333,42.83333333,20,6,0,0,0,81.94874917,86.16891583,66.82001784,27.53247259,8.41008,1.016064,0,0,0,210.0398127,248.9955258,194.4954688,131.5977869,86.85232572,31.08374443,0,0,0,7.613756667,7.744635333,7.727964842,7.812638588,6.984576,6.718464,0,0,0,1.437948452,1.709628822,1.365820062,1.061718836,0.890567175,0.444612905,0,0,0,160.7440815,144.3832806,154.3223697,163.1956342,163.7209158,184.917652,0,0,0,3.085648148,3.291666667,2.99122807,2.519607843,1.666666667,1,0,0,0,0.13076113,-0.038132058,0.005446471,-0.05619803,0.009716717,0.013786335,0,0,0,421.6567897,20.61463667,56.31689369,-386.8475844,-105.114009,204.2016682,0,0,0,618.8957781,-46.90292984,-9.36533622,-296.6624024,-251.6114952,295.0942746,0,0,0,0.966738667,0.001210667,-0.066887556,-0.649135111,0.0916,0.139842667,0,0,0,2.839127845,-0.498177171,-0.480647602,-0.312476229,-1.233900177,1.105637256,0,0,0,15.98371771,-3.219627084,-3.427960758,-0.17863661,-6.841249486,5.675615081,0,0,0,6.414351852,-0.164351852,1.485146605,-6.17033179,-0.497685185,2.140046296,0,0,0,0.010896761,-0.003177672,2.87E-04,-0.003305766,8.10E-04,0.002297723,0,0,0,35.13806581,1.717886389,2.964047037,-22.75574026,-8.75950075,34.03361136,0,0,0,51.57464817,-3.908577487,-0.492912433,-17.45072955,-20.9676246,49.18237911,0,0,0,0.080561556,1.01E-04,-0.003520398,-0.038184418,0.007633333,0.023307111,0,0,0,0.236593987,-0.041514764,-0.025297242,-0.018380955,-0.102825015,0.184272876,0,0,0,1.331976476,-0.268302257,-0.180418987,-0.010508036,-0.570104124,0.945935847,0,0,0,0.534529321,-0.013695988,0.078165611,-0.362960694,-0.041473765,0.356674383,0,0,0,-0.291616156,0.026306568,-0.303371482,0.074308911,0.210862893,0,0,0,0.048889612,0.084354303,-0.647609359,-0.249288074,0.968568149,0,0,0,-0.07578486,-0.009557262,-0.338358674,-0.406549057,0.953615407,0,0,0,0.001252321,-0.043698233,-0.473978165,0.094751563,0.289308107,0,0,0,-0.175468383,-0.106922591,-0.077689864,-0.434605359,0.77885697,0,0,0,-0.201431678,-0.135452082,-0.007889055,-0.428013658,0.710174589,0,0,0,-0.025622519,0.146232597,-0.679028594,-0.077589318,0.667268134,0,0,0,1.146692212,1.063598847,1.759222244,0.12725099,0.099587558,0,0,0,0.824154459,0.851944842,1.60528963,1.052772564,0,0,0,0,1.051353655,0.929751753,1.159599011,1.333774138,0,0,0,0,0.849223989,1.135140606,1.950719654,0.089950542,0,0,0,0,1.218087257,1.053227625,0.927902897,1.299773233,0,0,0,0,1.259390748,1.094105271,0.885293303,1.254110394,0,0,0,0,0.845543125,0.857452183,1.92366315,0.571634789,0,0,0,0,11.9344319,6.092215949,8.98742964,12.10109856,2.016849761,6.0997373,0.25,0.207389524,0.034564921,-0.943893898,31.08972269,5.181620449,2.062126383,11.93772565,6.093495614,8.989344451,12.1039027,2.017317117,6.101005268,0.249265579,0.207354182,0.03455903,-0.943996153,31.08008231,5.180013719,2.061940304,14.95667893,7.278842226,10.94020731,14.69068261,2.448447102,7.280860386,-0.398994478,0.134832607,0.022472101,-1.202232731,33.05327481,5.508879136,2.098872389,11.94118282,6.094838808,8.991354926,12.10684602,2.017807669,6.102336206,0.2484948,0.207316875,0.034552812,-0.944104116,31.06999498,5.178332497,2.061745537,18.4417609,8.619548517,13.35985293,18.08099615,3.013499358,8.620092174,-1.082294264,0.051027989,0.008504665,-1.785228598,39.89819986,6.649699977,2.211798724,12.28092651,6.227030347,9.192134054,12.3963493,2.066058216,6.23342731,0.173134186,0.202671696,0.033778616,-0.957700723,30.22958778,5.038264631,2.045292704,11.90905551,6.124177417,9.152395271,12.10803737,2.018006229,6.131945726,0.420952381,0.272440121,0.045406687,-0.780201857,31.27198347,5.211997245,2.06563356,0,11.99396609,16.00053994,-0.37551425,0.099425025,5.210491676,6.385509446,6,12,10,7,1,2,0,0,0,5,8.475242,3.783532538,2.68884802,2.182725145,1.760319801,0.625528101,0.083923071,0.083923071,0.028525283,1.667799055,1.481507542,0.973790137,0.278660897,0.028525283,0.083923071,0.083923071,0.625528101,3.700290568,2.731133987,2.078391988,1.710144953,0.735407589,0.270913902,0.270913902,0.057857965,1.639472608,1.502066204,0.951829173,0.121404353,0.057857965,0.270913902,0.270913902,0.735407589,3.837137829,2.926569425,2.346025977,2.029465299,1.292539845,0.943918427,0.943918427,0.598599223,1.483756566,1.287103428,0.588778357,0.435637242,0.598599223,0.943918427,0.943918427,1.292539845,3.68226873,2.7628743,2.080419221,1.694935698,0.821239756,0.399277246,0.399277246,0.112270177,1.637418116,1.505862382,0.915796179,0.017582702,0.112270177,0.399277246,0.399277246,0.821239756,3.841448047,3.023097865,2.407117466,2.107327063,1.499648238,1.207644823,1.207644823,0.745538217,1.45076608,1.270221059,0.494214851,0.630990458,0.745538217,1.207644823,1.207644823,1.499648238,3.899891827,2.804858891,2.412617416,1.928661723,0.977414788,0.517241379,0.517241379,0.348871341,1.562757103,1.304659254,0.723500314,0.09791103,0.348871341,0.517241379,0.517241379,0.977414788,0,0,1,3,0,1,0,0,0,0,0,0.144337567,0.144337567,0,0,0,0.03928371,0.03928371,0,0.288675135,0,0,0,0.11785113,0,0,0,0.40824829,0.433012702,0,0.136082763,0.11785113,0,4.405777394,2.89384685,2.389628766,1.64384685,1.129936127,0.288675135,0,0,0.734296232,0.482307808,0.341375538,0.234835264,0.161419447,0.144337567,0,0,3.640299098,1.895168207,1.22370106,0.663434407,0.360684977,0.07856742,0,0,0.606716516,0.315861368,0.174814437,0.094776344,0.051526425,0.03928371,0,0,7.340282516,11.99417334,11.5254902,11.68,7.875902994,90.72467545,0.61169021,0.999514445,0.960457516,0.973333333,0.65632525,7.560389621,1.28842,24.777,18.09925825,25.29161865,36.19851651,6.033086084,18.09925827,0.064833572,0.010805595,-1.641559038,30.97618464,5.16269744,2.059931203,29,0,0,1,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,1,0,0,0,0,3,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,6.416666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.645138889,0,0,0,0,1.645138889,0,0,0,0,0,0,0,0,1.916666667,0,0,0,0,5.449074074,0,0,0,0,0.967592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,0.967592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.505555556,0,0,0,0,0.505555556,0,0,0,0,0,0,0,0,1.916666667,0,0,0,0,1.662037037,0,0,0,0,0.967592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,1.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.621875,0,0,0,0,0.621875,0,0,0,0,0,0,0,0,1.916666667,0,0,0,0,1.916666667,0,0,0,0,0.967592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.16666667,2.194444444,0.621875,4.833333333,0.347222222,0.967592593,2.650791667,0.699074074,1.333333333,2.666666667,0.699074074,1.333333333,2.666666667,2.83333,0.47222,0,0.02778,0.56389,0.82778,0.43333,0.49792,0.82778,0.13056,0.06597,-0.06458,0,0.57047,0.14382,0,0.17647,0.17647,0,8.5,1.41667,3.5,0.58333,5,0.83333,1.5,0.25,0,0,2.05222,0.34204,5.2306,3.17838,0.52973,1.07475,0.17913,2.89384,1.81909,0.30318,0.02016,0.00336,0.10616,0.01769,0.416666667,6.01,0,1,1,1,0,0,0.2,1.325011211,2.625814584,3.022055209,3.188721876,3.188721876,3.188721876,15.90013453,31.509775,36.26466251,38.26466251,38.26466251,38.26466251,0.36960253,0.732452455,0.842980982,0.889471473,0.889471473,0.889471473,2.25995129,0.959147917,0.562907292,0.396240625,0.396240625,0.396240625,0.343446796,0.680618849,0.783325582,0.826526071,0.826526071,0.826526071,11.5975153,21.7110683,23.94243868,24.11040952,24.11040952,24.11040952,21.17790507,15.93734375,14.01278229,13.74862188,13.74862188,13.74862188,4.166666667,1.632653061,0.979591837,0,5,0,1.9,0.6772,0,1.144714243,1,0,2.381101578,1.889881575,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.158,0.16,0.453,0.403,2.539,7,7,7,2,0,0,0,0,0,35,2.251291799,2.724579503,3.107944264,3.49839971,2.409194828,0,0,0,0,0,4.535954075,2.6375,0.333333333,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0.166666667,0,2,3,0.5,1,0.444444444,0.222222222,0,0,0,0,0,0,0,0.166666667,0.063492063,0.111111111,0,0,0,0,0,0,0,0.341269841,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,13.14,75.29723243,3.584962501,3.295836866,4.007333185,4.762173935,5.493061443,6.251903883,6.989335266,7.747164967,8.487764381,9.243871855,68.27844578,2.564949357,0,3.713572067,2.397895273,5.017279837,4.442651256,6.385194399,6.224558429,7.788626066,8.245646901,82.04186481,6.836822068,11.57549817,1.929249695,2.891111036,2.891111036,0,26,2,0.945,26,1.370381855,2.371901411,3.286196527,4.134134625,5.246076717,0,0,0,0,0,138.7523037,171.1951078,100.425399,37.27195022,5.330349694,0,0,0,0,0,373.6515405,484.8812011,458.4584775,377.9419469,163.067708,0,0,0,0,0,10.83870652,18.58949668,25.70947856,28.96528061,35.24557757,0,0,0,0,0,2.464694217,3.337791012,3.641646928,3.832720697,2.332473408,0,0,0,0,0,196.2022049,363.7355147,532.8387352,669.6672827,970.0921889,0,0,0,0,0,4.969348637,7.51369883,8.448927893,7.11595171,5.246076717,0,0,0,0,0,0.567871389,0.794885449,0.855521365,0.833633417,0.537198256,0,0,0,0,0,228.8625377,93.79169287,11.52110858,80.88144824,-33.14656924,-11.86193054,147.9810895,126.9382621,23.38303911,0.738876453,0.302803919,0.037195584,0.261123547,-0.107012794,-0.038295919,70.88879467,29.0514128,3.568594093,25.05254217,-10.26695048,-3.674161646,0.218577258,0.78602457,6.706667409,25.16083817,277.7337421,32.01024387,0.896655802,0.103344198,393.8796371,19.84640111,7.330290335,452.6387904,21.27530941,7.678043881,589.1615695,24.27265065,8.383231711,2.452849609,2.452849609,233.1792849,162.0582266,84.27027026,1.438861142,2.767040905,1.923077095,3.356922971,3.576117647,5.700263739,0.593981044,1.91841112,1.811314174,2.986467768,4.656983357,2.320014262,3.597601999,1.639535091,3.211944976,0.689365218,0.133673494,1.31E-04,1.67E-28,4.31E-74,2.14E-141,2.05E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.161029016,1.990877972,1.166127321,4.217549815,1.448157862,0.172665264,0.999601856,0.164681003,0.048766236,9.41E-04,9.24E-07,1.18E-30,3.03E-76,1.51E-143,1.44E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.519748159,1.656965984,1.431445914,3.549250594,1.05714806,0.551837955,1.077861531,0.600715662,0.163411308,0.009810881,9.63E-06,1.23E-29,3.16E-75,1.57E-142,1.50E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.810825453,1.990193343,2.914956441,5.049426982,2.638058141,3.481708503,1.763816627,2.959601206,0.644447311,0.119100678,1.17E-04,1.49E-28,3.84E-74,1.90E-141,1.82E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765997609,1.530076555,1.649121069,3.35035841,0.966422428,0.854649296,1.100992383,0.95526017,0.246896385,0.021310542,2.09E-05,2.67E-29,6.86E-75,3.41E-142,3.26E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.316752448,1.924618238,3.480216599,5.163800587,2.853280506,4.974776825,1.921066674,4.220962804,0.862148945,0.194950225,1.91E-04,2.44E-28,6.28E-74,3.12E-141,2.98E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.026510044,2.018087197,2.107933855,5.372263825,2.657944817,1.619844512,1.583500967,1.353677906,0.337239926,0.035762829,3.51E-05,4.48E-29,1.15E-74,5.72E-142,5.47E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.319235744,1.336761723,0.199707617,0.683574411,0.27529714,0.606408763,0.569129204,0.331713964,4.855705083,5.366865449,11.10867868,0.525361617,1.507251931,1.944474304,1.039099155,0.090106229,0.632620996,0.338063579,0.206312254,0.363157205,0.050500134,3.073679689,2.28934016,5.545079628,0.456026861,0.619969593,2.548309753,1.018886805,0.121085523,0.690920514,0.276249696,0.355986909,0.333039631,0.118046605,3.688282081,3.028375044,7.031048322,0.536380772,0.807073145,3.185349978,1.352722551,0.202458699,0.671939457,0.285352524,0.558402128,0.583965383,0.335951434,4.740531228,5.227667009,10.84057146,0.507909185,1.478318945,2.847152138,1.053505584,0.132641956,0.705911379,0.261201911,0.444970902,0.353893716,0.147167157,4.033299678,3.516881545,7.948039532,0.558867069,0.946031775,3.407466219,1.39629932,0.213809466,0.679106185,0.278281704,0.639404029,0.620771851,0.379576859,5.017575006,5.784933311,11.81978014,0.518659277,1.639752739,3.247600804,1.33215149,0.198187187,0.679707396,0.278812969,0.580397496,0.565555323,0.325334362,4.777939482,5.233944477,10.86930044,0.519561094,1.471287181 +UMLRON0094,L,2-methylfuran,CC1=CC=CO1,10797,Sandia values and co-optima values are from co-optima api report therefore we should go with UML values ,"Sandia, UML",[6],C5H6O,PubChem,,103,0,0.4575,0.20930625,49.2346,30.028688,6,6,27,11,16,0,11,0,0,0,0,0,0,0,0,0,1603.162355,1780.618739,2089.387452,1840.314346,1371.200719,1152.261942,955.505213,648.773499,289.634857,5156.02583,6494.471781,8627.150907,8475.846502,6861.085948,5686.981859,4680.183514,3531.910628,2058.624615,190.4411,196.827788,343.926768,443.85796,399.883516,336.20028,273.31538,210.805932,166.456036,37.79170648,48.49460896,68.87187532,72.19035752,60.48302459,50.12363292,41.10210406,31.74308232,20.37324227,4353.420349,3844.69868,7256.509721,10082.93088,9243.180173,7827.815227,6348.860072,4832.6429,4030.154205,51.77777778,62.91666667,94.83333333,107.25,92,77.66666667,65.5,53.5,37.5,59.37638352,65.94884219,43.52890525,29.21133883,24.05615296,24.00545712,24.50013367,21.6257833,12.06811904,190.9639196,240.5359919,179.7323106,134.5372461,120.3699289,118.4787887,120.0047055,117.7303543,85.77602562,7.053374074,7.289918074,7.165141,7.045364444,7.015500281,7.0041725,7.008086667,7.0268644,6.935668167,1.399692833,1.796096628,1.434830736,1.145878691,1.061105695,1.044242352,1.053900104,1.058102744,0.848885095,161.2377907,142.3962474,151.1772859,160.046522,162.1610557,163.0794839,162.7912839,161.0880967,167.9230919,1.917695473,2.330246914,1.975694444,1.702380952,1.614035088,1.618055556,1.679487179,1.783333333,1.5625,0.060763864,-0.001064271,-0.023784825,-0.011953727,-0.004340014,0.00872249,0.003422451,-0.008222923,-8.90E-04,789.1710216,-9.17E-13,-196.7945414,-38.86069425,-78.71781655,13.94999281,7.971424461,-168.3963417,-37.86426619,1467.497214,3.69E-13,-365.9478531,-72.26312036,-146.3791412,25.94060731,14.82320418,-313.1401882,-70.41021984,0.154593185,1.50E-15,-0.0385507,-0.007612543,-0.01542028,0.002732708,0.001561547,-0.032987687,-0.00741735,6.560395338,1.64E-14,-1.635957171,-0.32304977,-0.654382868,0.115966584,0.06626662,-1.399882339,-0.314766443,35.6361716,-1.86E-13,-8.886545317,-1.75481148,-3.554618127,0.629932326,0.359961329,-7.604183081,-1.709816314,4.66255144,0.389917695,0.040237769,-0.116941015,-0.958390489,-0.39391861,0.135573845,-1.149748514,-0.539551898,0.002250513,-3.94E-05,-4.96E-04,-1.90E-04,-7.61E-05,1.82E-04,8.78E-05,-2.74E-04,-3.71E-05,29.22855636,-3.39E-14,-4.099886279,-0.616836417,-1.381014325,0.29062485,0.204395499,-5.613211391,-1.577677758,54.35174865,1.37E-14,-7.623913607,-1.147033657,-2.56805511,0.540429319,0.380082158,-10.43800627,-2.93375916,0.005725674,5.57E-17,-8.03E-04,-1.21E-04,-2.71E-04,5.69E-05,4.00E-05,-0.00109959,-3.09E-04,0.242977605,6.07E-16,-0.034082441,-0.005127774,-0.011480401,0.002415971,0.001699144,-0.046662745,-0.013115268,1.319858207,-6.88E-15,-0.185136361,-0.02785415,-0.062361722,0.01312359,0.009229778,-0.253472769,-0.071242346,0.17268709,0.014441396,8.38E-04,-0.001856207,-0.016813868,-0.008206638,0.003476252,-0.03832495,-0.022481329,-0.017514869,-0.220179616,-0.0843104,-0.033832541,0.080745366,0.038993394,-0.12179329,-0.016486688,-1.16E-15,-0.140269886,-0.021103896,-0.047248804,0.009943182,0.006993007,-0.192045455,-0.053977273,2.52E-16,-0.140269886,-0.021103896,-0.047248804,0.009943182,0.006993007,-0.192045455,-0.053977273,9.73E-15,-0.140269886,-0.021103896,-0.047248804,0.009943182,0.006993007,-0.192045455,-0.053977273,2.50E-15,-0.140269886,-0.021103896,-0.047248804,0.009943182,0.006993007,-0.192045455,-0.053977273,-5.21E-15,-0.140269886,-0.021103896,-0.047248804,0.009943182,0.006993007,-0.192045455,-0.053977273,0.083627538,0.004854369,-0.01074896,-0.097366098,-0.047523169,0.020130355,-0.221932921,-0.130185349,1.140747488,1.178877028,0.96976739,0.927731944,0.816704294,0.928106274,1.227734979,1.079698648,1.181818182,1.204900568,0.981331169,0.979665072,0.9140625,0.920454545,1.130113636,0.9140625,1.181818182,1.204900568,0.981331169,0.979665072,0.9140625,0.920454545,1.130113636,0.9140625,1.181818182,1.204900568,0.981331169,0.979665072,0.9140625,0.920454545,1.130113636,0.9140625,1.181818182,1.204900568,0.981331169,0.979665072,0.9140625,0.920454545,1.130113636,0.9140625,1.181818182,1.204900568,0.981331169,0.979665072,0.9140625,0.920454545,1.130113636,0.9140625,1.084289497,0.960047992,0.903574581,0.95928369,0.943912732,0.953221536,1.394086496,1.190782215,59.99336577,29.99668289,47.93384902,59.99336577,5.453942343,29.99668289,3.55E-14,0.329569039,0.029960822,-1.220966362,64.17512907,5.834102643,4.577777312,59.99336577,29.99668289,47.93384902,59.99336577,5.453942343,29.99668289,3.55E-14,0.329569039,0.029960822,-1.220966362,64.17512907,5.834102643,4.577777312,59.99336577,29.99668289,47.93384902,59.99336577,5.453942343,29.99668289,3.55E-14,0.329569039,0.029960822,-1.220966362,64.17512907,5.834102643,4.577777312,59.99336577,29.99668289,47.93384902,59.99336577,5.453942343,29.99668289,3.55E-14,0.329569039,0.029960822,-1.220966362,64.17512907,5.834102643,4.577777312,59.99336577,29.99668289,47.93384902,59.99336577,5.453942343,29.99668289,3.55E-14,0.329569039,0.029960822,-1.220966362,64.17512907,5.834102643,4.577777312,59.99336577,29.99668289,47.93384902,59.99336577,5.453942343,29.99668289,3.55E-14,0.329569039,0.029960822,-1.220966362,64.17512907,5.834102643,4.577777312,73.64333945,36.40367326,59.97117654,73.55059382,6.68641762,36.40367326,-0.204040404,0.437369622,0.039760875,-0.909674286,51.04695638,4.640632398,4.326020515,0,11.85,12.15012665,-0.210044168,0.090103887,5.167069235,8.679788829,11,27,24,21,5,3,0,0,0,6,17.491312,3.784950451,3.37705281,2.968138691,2.619181914,2.541369777,2.049918072,1.532949974,1.176699101,1.992907842,1.816898348,1.512368598,1.150336295,1.082250302,0.876097562,0.687833891,0.540021341,3.797292189,3.407348314,3.002860007,2.645815032,2.579659574,2.113647325,1.627406565,1.296157496,1.957995891,1.75462288,1.432184311,1.056798699,1.007167592,0.770529509,0.550479965,0.385155814,3.853733575,3.540006644,3.161598785,2.771820215,2.752675541,2.38163516,2.015427303,1.768239217,1.865505868,1.566310926,1.194083098,0.798620231,0.788259002,0.432191275,0.086954406,0.147460824,3.806488942,3.429648672,3.028828747,2.665925019,2.608091235,2.160063286,1.69569063,1.381307314,1.936796967,1.714423842,1.380752678,0.997543548,0.960278991,0.701213769,0.458051064,0.280407236,3.88280068,3.604030915,3.241086113,2.840120424,2.838078588,2.503130463,2.186427584,1.968657992,1.839054952,1.506517942,1.120654222,0.738564276,0.708036826,0.315972145,0.078257207,0.343315573,3.875694249,3.382428439,3.040308532,2.791401635,2.65423166,2.200572825,1.742056639,1.448338562,1.906860402,1.707349673,1.345183178,0.934761822,0.827285437,0.616042254,0.369182662,0.181755924,0,0,0,5,1,1,4,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.612372436,0.649519053,0.219416097,0.27300174,0.255985446,7.9413113,5.431851653,3.999817761,2.940670698,2.158827503,1.573206584,0.781474414,0.450523785,0.721937391,0.493804696,0.333318147,0.226205438,0.154201964,0.104880439,0.078147441,0.056315473,7.215178471,4.471343774,2.942705341,1.911829883,1.223801383,0.754431252,0.396628759,0.202804581,0.655925316,0.406485798,0.245225445,0.147063837,0.087414385,0.050295417,0.039662876,0.025350573,15.33462243,26.10269483,24.80392157,25.08,17.38843593,204.4541246,0.567948979,0.966766475,0.918663762,0.928888889,0.644016145,7.572374983,3.4193,49.671,51.9574535,77.50879761,103.914907,9.446809727,51.9574535,0.167455243,0.015223204,-1.965743086,60.22890153,5.475354685,4.507967562,135,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,5,0,0,5,0,0,0,0,0,0,0,0,1,0,4,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.17865623,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.006906848,0,1.365940374,0,0,2.006906848,0,0,0,0,0,0,0,0,2.241064815,0,5.246945625,0,0,10.70555437,0,0,0,0,1.473101852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.473101852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384550737,0,0.228047446,0,0,0.384550737,0,0,0,0,0,0,0,0,2.241064815,0,1.244722222,0,0,2.072738804,0,0,0,0,1.473101852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.204027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.420960845,0,0.359305556,0,0,0.420960845,0,0,0,0,0,0,0,0,2.241064815,0,1.356045918,0,0,2.204027778,0,0,0,0,1.473101852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.66666667,1.787878788,0.420960845,2.241064815,0.127152778,1.244722222,6.99274892,0.255277778,0.241064815,1.893238379,0.255277778,0.241064815,1.893238379,5.5,0.5,0,0,0.46296,0.7,0.43333,0.43333,0.7,0.02963,0.02963,0,0,0.71429,0,0,0.09091,0.09091,0,11.5,1.04545,5.5,0.5,6,0.54545,0.5,0.04545,0,0,7.71013,0.70092,12.43916,4.72903,0.42991,3.44966,0.31361,5.43185,1.98218,0.1802,-0.01785,-0.00162,0.06815,0.0062,0.222222222,11,0,0,0,0,0,0,0.454545455,0.975119065,2.309409122,3.250102669,3.884155095,3.954530448,4.134336113,26.32821475,62.3540463,87.75277208,104.8721876,106.7723221,111.6270751,0.20507721,0.485691643,0.683528825,0.816876339,0.831676974,0.869491888,3.779768437,2.44547838,1.504784833,0.870732408,0.800357055,0.620551389,0.198724436,0.470646141,0.662354827,0.79157157,0.805913719,0.842557223,6.784181073,16.95897493,21.81928312,23.57986019,24.46502141,24.64623406,41.99082118,31.0845179,22.77627261,18.96652871,17.85363233,17.21381343,9.090909091,5.625,3.786982249,5,6,5,2.67,1.4209,0,2.186856613,0.2,0,13.41571659,4.797076866,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,5.416,12,13,14,15,10,8,6,4,2,106,2.708050201,3.068052935,3.457892725,3.863357833,4.275797686,3.702843994,3.626006212,3.49839971,3.270044111,2.784239339,5.839187112,3.231132075,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.363636364,5,0.454545455,0,4,8,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.060408163,0.043402778,0.020408163,0,0,0.090909091,0.037037037,0.01875,0.021587302,0.015046296,0.012081633,0.014467593,0.020408163,0,0,0.230287114,34.32060963,53.5859143,68.64121927,6.240110842,34.32060963,0.17694249,0.016085681,-1.905123564,65.6628702,5.969351836,4.602986987,0,167.6464548,4.459431619,3.850147602,4.574710979,5.323009979,6.070737728,6.831953566,7.588323677,8.354909528,9.115040192,9.884151816,83.59298507,3.135494216,0,4.262679877,0,5.59471138,0,7.020190708,0,8.491465043,8.758098072,148.1252005,5.486118537,21.70652558,1.973320508,0,0,0,182,10,4.645,46,1.237974213,2.165070982,2.935551647,3.732819922,4.803879438,5.755821528,6.85015009,7.847245303,9.080821211,10.159981,91.72403858,102.7644087,95.25653819,106.0237765,131.4299719,160.6443036,164.3086487,102.5083112,43.53963766,10.32319094,321.3314287,411.9283872,421.925787,499.5545951,615.2418874,749.2120249,857.6958542,706.7701495,541.0676517,315.8102529,9.056988609,15.55848102,20.74253067,26.31713809,33.75192591,40.47965522,48.27151445,54.54802227,62.24409952,68.25946661,2.351319141,3.240938333,3.527987622,4.279376322,5.297897015,6.430437251,7.57618277,6.901513539,6.106962057,4.517258667,174.2745411,324.1333777,465.4838373,595.7712301,775.8788916,926.6155285,1093.366023,1308.275015,1580.837785,1878.759832,2.969750853,4.392657058,5.134174016,6.291781564,8.011497157,10.03797914,12.60844363,12.59180312,12.17457902,10.159981,0.484370495,0.677048473,0.746088002,0.908658162,1.126640937,1.366528236,1.615959753,1.497474562,1.355577167,1.040382055,333.2686572,200.0221614,12.98841826,83.81065614,-50.30172573,-4.969674478,249.458001,250.3238871,17.95809274,0.799053433,0.479578236,0.031141363,0.200946567,-0.120604701,-0.011915418,138.9994627,83.42510571,5.417200568,34.95569091,-20.97980922,-2.072748419,0.103349798,0.10876044,2.517226456,1.026110747,417.0793133,0,1,0,788.965793,28.0885349,9.240299714,945.0199318,30.74117649,9.813267923,1326.554667,36.42189818,10.98774024,2.445515293,2.445515293,1322.464392,1265.949253,136.9668613,1.044642499,9.655360274,9.242741205,5.095749307,5.645455692,10.31108427,0.826439677,4.87082015,5.666908742,4.370052361,21.77670372,7.65074014,4.386218973,5.089629609,11.17513359,8.595295475,2.956840294,4.666002459,3.271324443,4.43976254,3.341925054,3.652503669,1.401032455,1.704930523,1.016452392,0.436623736,0.052998374,3.98E-21,5.93E-62,1.74E-124,1.01E-208,1.1478544394E-314,0,0,0,0,0,0.408883791,5.666678976,0.343414885,6.154273353,0.988523922,1.167397094,0.564748047,1.624923266,2.535466734,0.472366936,1.297656773,0.857398494,1.190373228,0.186025434,1.088120879,0.193156039,0.097855539,0.008776621,0.003463658,3.73E-04,2.81E-23,4.18E-64,1.23E-126,7.12E-211,8.0844327E-317,0,0,0,0,0,1.319660127,5.666694839,1.123318927,7.369922806,1.527758886,1.575867134,1.427549702,2.929401551,3.536410589,0.812641682,1.804393704,1.140097292,1.64317063,0.625703264,1.394000965,0.437538768,0.344753324,0.078757945,0.033043795,0.003889781,2.92E-22,4.35E-63,1.28E-125,7.42E-210,8.42460216E-316,0,0,0,0,0,4.597663603,5.666883696,4.108679743,20.12224927,6.952559804,4.101232665,4.791102391,10.36232408,8.1408294,2.745713346,4.395828664,3.049242218,4.166379151,3.076374786,3.418546663,1.326319241,1.57784173,0.906754639,0.389291381,0.047220598,3.55E-21,5.29E-62,1.55E-124,9.00E-209,1.02271764E-314,0,0,0,0,0,1.944879529,5.666714944,1.671174768,8.790318397,2.141599329,1.930071658,2.037895638,4.01637606,4.293599377,1.095773588,2.205940211,1.396524879,2.016495413,0.988251136,1.66857764,0.605944346,0.538333202,0.167092083,0.070819575,0.008449124,6.35E-22,9.46E-63,2.78E-125,1.61E-209,1.829936164E-315,0,0,0,0,0,5.882195893,5.667013942,5.354675337,28.69499907,10.56542903,5.54123557,6.21937271,14.44365138,10.37277281,3.805571656,5.738963105,4.177960903,5.536519761,4.407284299,4.606131783,1.678533736,2.208075282,1.477123917,0.635507568,0.077293148,5.81E-21,8.65E-62,2.54E-124,1.47E-208,1.6740378225E-314,0,0,0,0,0,2.69864605,4.697544141,2.393404189,10.37883899,3.064064932,2.47691707,2.806915878,5.407119331,4.966960833,1.406440978,2.639048823,1.761519308,2.570488763,1.50769035,2.400930109,0.916654319,0.880913514,0.324570742,0.138174679,0.016580072,1.25E-21,1.86E-62,5.46E-125,3.16E-209,3.590960887E-315,0,0,0,0,0,9.567097904,1.217144222,0.615098304,0.839267672,0.106773215,0.553951554,0.386756286,0.353549001,11.39934043,18.27790697,36.83978293,0.758901508,1.294256842,8.630593796,0.653019677,0.271621675,0.903231963,0.06834156,0.451053861,0.111542135,0.069216013,9.555235148,8.15757821,19.24365888,0.854847944,0.63181201,8.967111741,0.855742486,0.395153841,0.877579239,0.083748465,0.486808324,0.191362474,0.146332455,10.21800807,11.55507707,24.80531334,0.816368858,0.824503253,9.539980859,1.200811923,0.605164865,0.840826412,0.105836101,0.550823031,0.376458674,0.342272173,11.34595765,17.95567317,36.23423174,0.761239618,1.269553878,9.131114167,0.954536107,0.455309475,0.866250738,0.090554952,0.50472931,0.238019738,0.194142444,10.54095975,13.3080703,27.81749749,0.799376108,0.936891493,9.653530958,1.269200706,0.646756078,0.834395712,0.109702412,0.563982775,0.420505031,0.390692853,11.56948774,19.3166114,38.81032813,0.751593568,1.375180659,9.571385668,1.203880433,0.604553494,0.84108413,0.105790819,0.554440393,0.378345739,0.341539406,11.3798196,18.0370287,36.38299967,0.761626196,1.274325538 +UMLRON0095,L,1-phenylpentane,CCCCCC1=CC=CC=C1,10864,"""Pentylbenzene""",UML,[1],C11H16,PubChem,,89.2,0,2.1019,4.41798361,48.7581,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2016.744924,1710.103761,1293.563551,1007.912141,522.71285,110.065536,6.096384,4670.34144,5841.481647,7938.731209,7970.965389,6275.515845,5005.196641,3409.632809,1321.981609,186.5024666,169.463656,175.052008,301.220976,383.368068,397.08934,255.155828,250.693832,144.281088,40.310784,34.11358067,43.47862034,62.19060946,67.18241709,55.80050475,43.11292237,32.73540406,14.68832224,2.667677429,3856.790689,3411.659229,6337.774435,8413.205104,9465.745903,5635.131594,5968.477003,3628.909858,1109.505912,48.80555556,58.83333333,86.72222222,102.3333333,90.66666667,70.83333333,59.33333333,29,6,60.70275442,67.17251842,48.01773629,31.66858817,22.69409739,27.99755947,14.51980139,5.241216,1.016064,194.59756,243.3950686,189.0174097,147.6104702,110.0967692,139.03324,94.71202247,62.95150517,31.08374443,7.060985667,7.293833667,7.171928,7.099408667,6.966479649,7.087661889,6.963717556,6.870528,6.718464,1.421399194,1.811609181,1.480728797,1.244118835,0.978956224,1.197581177,0.909316779,0.699443916,0.444612905,160.6996121,142.1524679,150.8993913,155.8000945,166.0657176,156.5314332,165.7910279,172.8052313,184.917652,2.033564815,2.451388889,2.064814815,1.895061728,1.590643275,1.967592593,1.648148148,1.380952381,1,0.055969628,-0.002325399,-0.015537944,-0.022174919,0.014215111,-0.009076265,-0.004455644,0.002757718,0.008612528,706.2183858,-6.39E-14,-35.31091929,-348.0647759,279.9651458,-302.6650225,-110.9771749,37.83312781,126.110426,1313.243245,2.13E-13,-65.66216225,-647.2413136,520.6071436,-562.8185336,-206.3667957,70.3523167,234.5077223,0.138343333,2.24E-15,-0.006917167,-0.0681835,0.05484325,-0.05929,-0.021739667,0.00741125,0.024704167,5.870808328,1.36E-14,-0.293540416,-2.893469819,2.327356159,-2.516060712,-0.922555594,0.314507589,1.04835863,31.89032402,-1.08E-13,-1.594516201,-15.71737398,12.64223559,-13.66728172,-5.011336631,1.708410215,5.694700717,4.795138889,-0.524305556,1.014756944,-2.671006944,2.22265625,-1.953125,-1.039930556,-0.19921875,0.752604167,0.002332068,-9.69E-05,-3.70E-04,-4.11E-04,2.49E-04,-2.52E-04,-1.24E-04,1.31E-04,0.001435421,29.42576608,-2.66E-15,-0.840736174,-6.445643998,4.911669225,-8.407361736,-3.082699303,1.801577515,21.01840434,54.71846854,8.88E-15,-1.563384816,-11.98595025,9.133458659,-15.63384816,-5.73241099,3.350110319,39.08462039,0.005764306,9.32E-17,-1.65E-04,-0.001262657,9.62E-04,-0.001646944,-6.04E-04,3.53E-04,0.004117361,0.244617014,5.67E-16,-0.006989058,-0.053582774,0.04083081,-0.069890575,-0.025626544,0.014976552,0.174726438,1.328763501,-4.50E-15,-0.037964671,-0.291062481,0.221793607,-0.379646714,-0.139203795,0.081352867,0.949116786,0.199797454,-0.021846065,0.02416088,-0.049463092,0.038993969,-0.054253472,-0.02888696,-0.009486607,0.125434028,-0.041547521,-0.158636483,-0.17608692,0.106938532,-0.10810941,-0.053072163,0.056310503,0.615514368,-9.06E-17,-0.028571429,-0.219047619,0.166917293,-0.285714286,-0.104761905,0.06122449,0.714285714,1.62E-16,-0.028571429,-0.219047619,0.166917293,-0.285714286,-0.104761905,0.06122449,0.714285714,1.62E-14,-0.028571429,-0.219047619,0.166917293,-0.285714286,-0.104761905,0.06122449,0.714285714,2.32E-15,-0.028571429,-0.219047619,0.166917293,-0.285714286,-0.104761905,0.06122449,0.714285714,-3.38E-15,-0.028571429,-0.219047619,0.166917293,-0.285714286,-0.104761905,0.06122449,0.714285714,-0.109341057,0.120926865,-0.247566176,0.195167499,-0.271542361,-0.144581221,-0.047481121,0.627805938,1.132449451,1.072368745,1.118579938,0.703183479,1.208976695,1.078929313,0.909690408,0.304806016,1.15,1.079591837,1.204761905,0.726315789,1.25952381,0.985714286,0.751020408,0,1.15,1.079591837,1.204761905,0.726315789,1.25952381,0.985714286,0.751020408,0,1.15,1.079591837,1.204761905,0.726315789,1.25952381,0.985714286,0.751020408,0,1.15,1.079591837,1.204761905,0.726315789,1.25952381,0.985714286,0.751020408,0,1.15,1.079591837,1.204761905,0.726315789,1.25952381,0.985714286,0.751020408,0,1.276852522,0.813696079,1.201598412,0.629952869,1.393434709,1.139914716,0.913623668,0,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,55.69519662,27.48193295,44.1417483,55.61286329,5.561286329,27.48193295,-0.205833333,0.393826147,0.039382615,-0.931845719,44.79299697,4.479299697,3.80205181,0,11.85,12.1501118,-0.210039885,0.090093376,5.915046875,8.758382354,10,24,21,18,4,3,0,0,0,6,15.304898,3.789006766,3.342782532,2.714137024,2.619181914,2.333552793,1.991026675,1.03455174,0.941428501,1.995474402,1.769108092,1.249629723,1.227481199,1.082250302,0.800475879,0.388803438,0.310513972,3.801300174,3.371187395,2.743216118,2.645815032,2.405454588,2.052252479,1.149393199,1.053336623,1.960998231,1.707192926,1.144381645,1.134540686,1.007167592,0.695427315,0.232322697,0.150156259,3.857488743,3.497438938,2.882184644,2.771820215,2.704236987,2.31168365,1.613351017,1.517793787,1.869199643,1.522809906,0.911976488,0.798620231,0.76031856,0.361064127,0.302656236,0.396843083,3.810459515,3.392201239,2.765246681,2.665925019,2.457539916,2.096944796,1.232027611,1.134811365,1.940003944,1.667461651,1.092229137,1.058262671,0.960278991,0.626486411,0.126668645,0.041902902,3.886396736,3.559369045,2.955930475,2.838982085,2.838078588,2.43062749,1.813415419,1.721464227,1.842881827,1.46529297,0.845311077,0.738564276,0.631337262,0.24777654,0.49737482,0.594311107,3.843075836,3.358724458,2.788464865,2.756996632,2.56382137,2.121028081,1.262297895,1.255336616,1.934162481,1.654344749,1.055177718,0.942199748,0.858459866,0.557880517,0.058638967,0.089369861,0,0,0,5,1,2,1,1,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.612372436,0,0,0,0.526099421,0,0,0,0.642228525,1.041888478,1.093412989,0.40824829,0.568203574,0.497341749,7.397341225,4.7876937,4.133584955,2.529482726,2.089508593,1.454567768,0.595522031,0.319035594,0.739734123,0.47876937,0.344465413,0.210790227,0.149250614,0.103897698,0.074440254,0.053172599,6.671208396,3.827185822,3.083569555,1.486775213,1.085497855,0.621750457,0.247856683,0.116910982,0.66712084,0.382718582,0.25696413,0.123897934,0.077535561,0.044410747,0.030982085,0.019485164,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.8851,44.984,42.8834899,62.95133481,85.7669798,8.57669798,42.8834899,0.20866802,0.020866802,-1.567010712,39.432933,3.9432933,3.67460133,92,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,4,0,0,5,0,0,0,0,0,0,0,0,2,0,1,0,0,5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.0525,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.017018141,0,1.154509637,0,0,2.017018141,0,0,0,0,0,0,0,0,4.486111111,0,1.195277778,0,0,10.61037037,0.766111111,0,0,0,1.44212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.44212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.386597222,0,0.25461593,0,0,0.386597222,0,0,0,0,0,0,0,0,2.243055556,0,1.195277778,0,0,2.059351852,0.766111111,0,0,0,1.44212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422851474,0,0.359305556,0,0,0.422851474,0,0,0,0,0,0,0,0,2.243055556,0,1.195277778,0,0,2.180555556,0.766111111,0,0,0,1.44212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.5,1.85,0.422851474,2.243055556,0.128472222,0.766111111,6.300647778,0.567222222,0.243055556,2.192962963,0.567222222,0.243055556,2.192962963,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.77025,0.67703,11.44878,4.67852,0.46785,2.8055,0.28055,4.78768,1.98218,0.19822,0.12632,0.01263,0.21232,0.02123,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.345437252,3.006866543,3.40726823,3.605388542,3.605388542,23.51685016,56.29049406,72.16479704,81.77443751,86.52932501,86.52932501,0.213713581,0.511549931,0.655810498,0.743139825,0.786350715,0.786350715,3.605093744,2.239525248,1.578095958,1.177694271,0.979573959,0.979573959,0.206076118,0.493268716,0.632373856,0.716582301,0.758248968,0.758248968,6.772325919,17.12993833,20.02005558,22.60136356,22.80103417,22.80103417,37.92632204,28.30072848,23.50450824,19.55839636,19.00651667,19.00651667,8.1,4,3.111111111,4,6,3,2.56,1.28,0.5,2.921736458,2.309401077,0,7.732315986,5.638173476,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.151,0.144,0.514,0.649,4.689,12,12,14,14,8,6,4,0,0,90,2.63905733,3.068052935,3.425889994,3.884137802,4.282724121,3.684180933,3.595598464,3.446011397,0,0,5.696883733,3.299305556,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,0,3,6,1,2,0.444444444,0.4375,0.311111111,0.118055556,0.08,0,0,0,0,0.2,0.037037037,0.048611111,0.044444444,0.023611111,0.04,0,0,0,0,0.393703704,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,0,150.3504702,4.321928095,3.80666249,4.532599493,5.323009979,6.070737728,6.865891075,7.621195163,8.416046009,9.174609562,9.968479096,81.7792306,3.044522438,0,4.234106505,0,5.609471795,0,7.067319849,0,8.564267599,8.822174761,134.1095504,5.587897935,19.53512296,1.953512296,0,0,0,126,9,4.015,44,1.236512656,2.164893139,2.972026835,3.659293596,4.56951502,5.133377958,6.110736059,6.89017668,0,0,92.91185031,113.6894188,99.73067898,92.7325331,137.5065357,80.5737165,31.89507067,7.000860479,0,0,323.9803594,435.2000833,456.3252826,432.892308,657.7118569,513.18148,383.6797834,214.172491,0,0,9.050443239,15.57807896,21.14601639,25.56987818,32.41802114,35.84784872,41.97921029,46.29140398,0,0,2.364973853,3.358778008,3.809983369,3.77263303,5.594015405,4.862277544,4.266118654,3.063461469,0,0,173.8105839,323.0764279,459.6115134,601.9717126,713.3483057,843.2648233,1056.347337,1274.115294,0,0,3.110320404,4.618841899,5.739753288,6.017712973,9.089989763,8.722258016,8.426678369,6.89017668,0,0,0.486961494,0.699385126,0.804487555,0.8047512,1.185056689,1.049443129,0.944413034,0.705554092,0,0,281.4809422,152.5063086,11.40627028,80.22550987,-43.46616247,-4.772238689,201.2554323,195.9724711,16.17850897,0.778202713,0.421630048,0.031534606,0.221797287,-0.120169718,-0.013193679,101.8134729,55.1625158,4.125721553,29.01808454,-15.72199141,-1.726149524,0.114486752,0.115112832,2.33259961,0.999159556,361.706452,0,1,0,726.8842238,26.96079049,8.991284665,863.5642905,29.38646441,9.522805011,1260.551292,35.50424329,10.80239799,1.881577856,1.881577856,684.7027254,638.0471834,158.228628,1.073122401,4.327299896,4.032438324,4.385273631,4.443441828,7.963232428,0.792131581,4.313019043,4.718376127,4.219904881,16.92688574,3.969805921,7.606660033,6.852271374,9.032516812,6.173743988,2.460685802,5.145077108,2.958414696,2.061758656,1.271597638,1.71814109,4.99E-13,2.93E-47,3.44E-103,8.03E-181,3.71E-280,0,0,0,0,0,0,0,0,0,0,0.362071409,4.718203665,0.320295109,6.364459695,1.352085774,1.915353795,0.351300988,2.554590092,0.728437032,0.182850464,1.173155587,0.327708936,0.085016641,0.06848817,0.012101008,3.52E-15,2.06E-49,2.42E-105,5.66E-183,2.61E-282,0,0,0,0,0,0,0,0,0,0,1.168544053,4.718215621,1.055616701,7.641507844,1.626550945,2.852846605,1.174909508,3.621617746,1.332154153,0.564835768,1.903723397,0.667171917,0.332438009,0.246277818,0.126101835,3.67E-14,2.15E-48,2.52E-104,5.89E-182,2.72E-281,0,0,0,0,0,0,0,0,0,0,4.07114486,4.718357344,3.959709857,15.96931176,3.71761852,7.178919274,6.276208117,8.545641913,5.66074829,2.291886512,4.87355175,2.727488689,1.885530179,1.173962054,1.530832778,4.45E-13,2.61E-47,3.06E-103,7.16E-181,3.30E-280,0,0,0,0,0,0,0,0,0,0,1.722162239,4.71823073,1.578406665,8.779145213,1.892122666,3.562982814,1.889754324,4.42988936,1.89735924,0.851692051,2.429044194,0.958850433,0.54862657,0.388453283,0.273910037,7.96E-14,4.67E-48,5.48E-104,1.28E-181,5.91E-281,0,0,0,0,0,0,0,0,0,0,5.208570274,4.718455007,5.207660369,20.82541137,5.007924748,9.28045692,9.187369097,10.93772527,8.277101509,3.119000411,6.182622083,3.892768808,2.776944448,1.660328114,2.505747306,7.28E-13,4.27E-47,5.01E-103,1.17E-180,5.40E-280,0,0,0,0,0,0,0,0,0,0,2.384635892,3.717617015,2.114971537,9.693640947,1.941373299,4.451261201,2.872713161,5.416432489,2.497737768,1.111302522,3.168745491,1.427204365,0.870332758,0.597794022,0.502013467,1.46E-13,8.55E-48,1.00E-103,2.35E-181,1.08E-280,0,0,0,0,0,0,0,0,0,0,5.376272826,1.388346215,0.815192893,0.709288419,0.183163676,0.523255776,0.467385863,0.349228402,7.579811935,12.9785974,26.64311345,0.563932629,1.339870041,4.521775699,0.765469119,0.41851386,0.792493331,0.134157289,0.372708675,0.143888474,0.0939162,5.705758678,5.674064896,12.82841708,0.688739996,0.610513349,4.824583392,0.986749627,0.56005011,0.757227009,0.154872122,0.423069918,0.237802631,0.166884015,6.371383129,8.01529356,17.05288253,0.635840514,0.827756564,5.351010315,1.369996933,0.80357804,0.711136908,0.182069427,0.518429292,0.455241907,0.339530973,7.524585287,12.73172155,26.14723115,0.566705362,1.313202172,4.973877438,1.095616111,0.629420045,0.742490162,0.163551313,0.449104426,0.292525601,0.210050152,6.698913594,9.269721159,19.39863427,0.613735243,0.95168018,5.457003209,1.446960056,0.852269518,0.703563619,0.186554491,0.53883371,0.507234735,0.38106449,7.756232783,13.78010311,28.26591197,0.555345429,1.427132935,5.362975835,1.372072858,0.80293302,0.711460446,0.182021251,0.52077895,0.456634472,0.338951839,7.537981713,12.76618657,26.21246546,0.56719067,1.316365261 +UMLRON0096,L,isobutylbenzene,CC(C)CC1=CC=CC=C1,10870,,"Sandia, UML",[1],C10H14,PubChem,,101.6,0,2.4503,6.00397009,38.1492,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1725.25417,1334.803517,1150.572534,444.999744,54.867456,0,0,3947.642614,5029.877407,7256.714489,8103.085283,6657.887638,4410.271889,1678.522199,0,0,181.25648,180.900988,339.488488,447.331892,616.779096,316.700928,362.797056,0,0,30.31423229,39.56609758,59.5007813,73.17861874,66.1216493,44.0891113,24.00909686,0,0,4342.872585,3643.766351,7595.322043,9769.440382,15721.53703,7176.670586,9985.553209,0,0,43.59027778,51.04166667,78.58333333,112.75,115.5,81,54,0,0,45.09238923,49.11105724,35.94279521,21.18735741,12.78413927,9.8888832,1.016064,0,0,151.8324082,201.1950963,151.1815518,128.6204013,73.97652931,98.00604198,31.08374443,0,0,6.971403077,7.23603952,7.072676833,7.100506222,6.853101067,7.0377984,6.718464,0,0,1.165932011,1.582643903,1.23959961,1.161565377,0.734684992,0.979758029,0.444612905,0,0,167.033561,145.7506541,158.2358759,155.0704823,174.6837448,159.4815686,184.917652,0,0,1.676549145,2.041666667,1.637152778,1.78968254,1.283333333,1.8,1,0,0,0.034874423,-0.008917484,0.015414224,-0.049197905,0.041146175,-0.045353305,0.029471083,0,0,670.5194345,-58.02572029,196.2845353,-907.636884,640.4320239,-825.2546886,618.9410164,0,0,1246.859521,-107.9013047,364.999475,-1687.789543,1190.910696,-1534.596333,1150.94725,0,0,0.131350154,-0.01136684,0.038450793,-0.177799834,0.125456237,-0.161661728,0.121246296,0,0,5.574042193,-0.482369036,1.63171748,-7.54520455,5.323924915,-6.860359622,5.145269717,0,0,30.27828566,-2.620236259,8.863515246,-40.98567087,28.91964464,-37.26558235,27.94918676,0,0,4.000267094,-2.616442719,3.59566075,-6.340390779,6.364460059,-5.959596893,2.956176036,0,0,0.001341324,-3.57E-04,3.21E-04,-7.81E-04,4.57E-04,-0.001007851,5.46E-04,0,0,25.78920902,-2.321028812,4.089261152,-14.40693467,7.115911377,-18.33899308,11.46187067,0,0,47.95613541,-4.316052187,7.60415573,-26.79031021,13.23234107,-34.10214073,21.31383796,0,0,0.005051929,-4.55E-04,8.01E-04,-0.00282222,0.001393958,-0.003592483,0.002245302,0,0,0.214386238,-0.019294761,0.033994114,-0.119765152,0.059154721,-0.152452436,0.095282773,0,0,1.164549448,-0.10480945,0.184656568,-0.650566204,0.321329385,-0.828124052,0.517577533,0,0,0.153856427,-0.104657709,0.074909599,-0.100641123,0.070716223,-0.132435487,0.054744001,0,0,-0.265930799,0.239412456,-0.582200224,0.340842126,-0.751385368,0.406882155,0,0,-0.09,0.158564815,-0.558641975,0.275925926,-0.711111111,0.444444444,0,0,-0.09,0.158564815,-0.558641975,0.275925926,-0.711111111,0.444444444,0,0,-0.09,0.158564815,-0.558641975,0.275925926,-0.711111111,0.444444444,0,0,-0.09,0.158564815,-0.558641975,0.275925926,-0.711111111,0.444444444,0,0,-0.09,0.158564815,-0.558641975,0.275925926,-0.711111111,0.444444444,0,0,-0.680229686,0.486879882,-0.654123624,0.459624758,-0.860773186,0.355812245,0,0,1.801167903,0.78815335,1.85664522,0.360289243,2.06096631,2.36E-05,0,0,1.625,1.03443287,1.79122575,0.451388889,1.805555556,0,0,0,1.625,1.03443287,1.79122575,0.451388889,1.805555556,0,0,0,1.625,1.03443287,1.79122575,0.451388889,1.805555556,0,0,0,1.625,1.03443287,1.79122575,0.451388889,1.805555556,0,0,0,1.625,1.03443287,1.79122575,0.451388889,1.805555556,0,0,0,2.284569673,0.330924084,1.997427802,0.151899579,2.499833077,0,0,0,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,47.51137915,23.60404027,36.42074143,47.28390519,5.910488149,23.60404027,-0.303298611,0.069676456,0.008709557,-2.131114248,29.6799635,3.709995438,2.712377751,0,11.89,12.11011416,-0.159339712,0.061922972,5.9119375,8.904306431,7,25,25,25,7,0,0,0,0,0,19.677726,3.592008556,3.179705212,2.333552793,2.333552793,2.333552793,2.167113911,1.048880678,0.462707667,1.954137036,1.700210789,1.249629723,1.249629723,1.249629723,1.068398448,0.391977468,0.083923071,3.615439298,3.214821748,2.405454588,2.405454588,2.405454588,2.235900366,1.162535052,0.568769731,1.89931099,1.625172106,1.134540686,1.134540686,1.134540686,0.953162997,0.236164495,0.270913902,3.720228904,3.370103217,2.704236987,2.704236987,2.704236987,2.526266251,1.621470524,0.966353878,1.741484876,1.401130811,0.76031856,0.76031856,0.76031856,0.581431987,0.295298608,0.943918427,3.632796401,3.240763222,2.457539916,2.457539916,2.457539916,2.286022252,1.244238386,0.643043341,1.864692752,1.577040195,1.058262671,1.058262671,1.058262671,0.876980678,0.131040995,0.399277246,3.772273965,3.445738001,2.838982085,2.838982085,2.838982085,2.659090551,1.819820028,1.207644823,1.693409454,1.330703101,0.631337262,0.631337262,0.631337262,0.454834927,0.48816063,1.124443599,3.592231329,3.276863964,2.607254599,2.607254599,2.607254599,2.327374127,1.296485879,0.62512708,1.89351304,1.522549093,0.903112587,0.903112587,0.903112587,0.800458083,0.037656838,0.568047337,0,0,0,0,0,5,1,1,1,0,0,0,0,0,0,0,0,0,0,1.968908462,0.353553391,0,0,1.968908462,0.353553391,0,0,0.816496581,2.041241452,1.020620726,0.816496581,2.041241452,1.020620726,6.78445705,3.416502219,4.158631167,1.020620726,1.224744871,0,0,0,0.848057131,0.488071746,0.415863117,0.204124145,0.204124145,0,0,0,6.78445705,3.416502219,4.158631167,1.020620726,1.224744871,0,0,0,0.848057131,0.488071746,0.415863117,0.204124145,0.204124145,0,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,45,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,5,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,11.39236111,0,1.326388889,0,0,0,0.842592593,0,0,0,0,0,0.521990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.269097222,0,1.326388889,0,0,0,0.842592593,0,0,0,0,0,0.521990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.284722222,0,1.326388889,0,0,0,0.842592593,0,0,0,0,0,0.521990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.08333333,1.760416667,0.2,2.284722222,0,0.521990741,6.046809028,0.728009259,0.284722222,2.784722222,0.728009259,0.284722222,2.784722222,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.625,0.125,0.125,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.73928,1.21741,9.73928,0,0,3.41649,0.42706,3.41649,0,0,0.49751,0.06219,0.49751,0.06219,0,7,0,0,0,0,0,0,1,0.89049164,1.36704393,2.109737932,2.669901737,2.489115594,1.842894099,23.15278265,35.54314217,54.85318624,69.41744515,64.71700543,47.91524656,0.189448582,0.290833201,0.448838419,0.568011058,0.529549519,0.392068447,3.809948078,3.333395788,2.590701786,2.030537982,2.211324125,2.85754562,0.191756937,0.294376887,0.454307336,0.574932045,0.536001868,0.396845644,6.648700044,12.36732752,15.16830597,15.73285308,13.56341936,8.937675332,31.72521615,23.58736256,20.75788419,21.58789648,20.50317962,17.76444748,8,2.52,7.2,8,0,5,2.34,1.2358,3.298769777,2.5,2.58640929,3.221970075,0,1,1,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.131,0.009,0.004,3.126,10,5,6,0,0,0,0,0,0,36,2.079441542,2.397895273,1.791759469,1.945910149,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,7,1,0,2,4,1,4,0.666666667,0.75,0,0,0,0,0,0,0,0.571428571,0.066666667,0.15,0,0,0,0,0,0,0,0.788095238,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,0,146.9243357,4,3.555348061,4.17438727,5.056245805,5.686975356,6.577861358,7.211556733,8.105005538,8.739536423,9.633841843,73.74075839,2.708050201,0,4.007333185,0,5.416100402,0,6.882437471,0,8.379079889,8.635687085,114.1408506,4.390032714,14.27908074,1.784885093,0,0,0,66,5,4.807,34,1.2278,2.115728773,2.941571657,3.435863964,4.168456882,4.591747212,0,0,0,0,71.2221278,87.331823,66.2360442,49.51859867,42.38461035,4.665509039,0,0,0,0,272.5498825,351.7650236,389.2140277,271.2450924,417.3074773,142.7286968,0,0,0,0,8.919363223,15.034845,20.91004856,23.58942738,29.37862393,30.84948834,0,0,0,0,2.081648384,2.816384767,3.482229517,2.631808581,4.154236656,2.041550066,0,0,0,0,176.77647,329.6995075,454.4862559,597.024756,661.4573701,849.0951131,0,0,0,0,2.546391667,3.646097269,5.311626286,4.525357563,7.608102435,4.591747212,0,0,0,0,0.4321989,0.591022767,0.742723227,0.573088326,0.900145213,0.470194914,0,0,0,0,373.7077614,162.5423626,8.947225015,118.7815566,-51.66345693,-6.901876529,254.9262048,214.2058195,15.84910154,0.758813943,0.330042412,0.018167348,0.241186057,-0.104902695,-0.014014266,184.0470805,80.05037729,4.406412745,58.49864778,-25.44370067,-3.399100465,0.067974271,0.144036782,0.836073938,8.049388056,492.489318,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,801.7991682,28.31605849,9.290131623,1.404310375,1.404310375,410.0261221,373.1117009,161.6504711,1.098936649,2.536498158,2.308138655,4.005012793,3.22022378,6.424248771,0.99496967,5.020218393,6.683004489,3.186528603,26.75033514,4.692708239,14.65268939,10.09536312,12.72250273,5.546721246,8.179924101,2.32761958,1.126710559,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421311494,6.642958987,0.1725264,11.70491739,1.527764632,1.670896912,0.414037182,0.67966319,1.115878738,0.094794332,0.016394683,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.360045288,6.651078506,0.619466497,13.979447,1.765622122,3.525905859,1.423351546,2.329101507,1.654860668,0.695889075,0.170836853,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.738676201,6.680533608,2.942480948,25.54746859,4.354553874,13.57676117,9.160639552,11.69913552,5.146185028,7.313767434,2.073867876,1.003878823,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.00445695,6.65666852,0.976243274,15.7773557,2.050099432,5.035319258,2.40329219,3.701527375,2.133363791,1.420066592,0.371077844,0.17962281,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.062642867,6.692174986,4.157722022,31.52396775,6.10869562,18.95563992,13.94458422,16.8364309,7.176517963,11.80837168,3.394610919,1.64320146,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.089831421,5.141674799,1.242128226,18.98228424,2.343087082,8.193086423,3.640308071,5.528922222,3.318008076,2.795540533,0.751075597,0.363564459,2.59E-15,3.56E-51,9.43E-109,4.82E-188,4.75E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.400794242,1.424765966,1.037813733,0.580006371,0.242994218,0.523423263,0.584057321,0.464255295,5.863373941,9.853368547,20.74529862,0.370009557,1.57173588,2.722439864,0.871012702,0.546324625,0.657629563,0.210400865,0.335152069,0.217909949,0.128018615,4.139777191,4.334471328,9.769737012,0.486444344,0.681080632,3.00199774,1.099244856,0.748931772,0.618946354,0.226640276,0.407658717,0.347351679,0.241115369,4.850174369,6.371481461,13.69307868,0.42841953,0.996125764,3.384986923,1.411864347,1.026366062,0.581291532,0.242454345,0.518558464,0.573510195,0.454025145,5.823217333,9.702467702,20.43083455,0.371937298,1.546093803,3.1221914,1.197360968,0.836014827,0.605596103,0.232246215,0.441021943,0.412249757,0.300709038,5.155567194,7.349599941,15.6305167,0.408394154,1.153980737,3.4499796,1.464909442,1.073432357,0.576117975,0.244627725,0.538706255,0.617490156,0.496819176,5.9883214,10.32970862,21.74305807,0.364176963,1.653015587,3.39316235,1.415176613,1.028529824,0.581332642,0.242454759,0.521086913,0.57633231,0.456017766,5.836868787,9.747444029,20.52323486,0.371998962,1.553436989 +UMLRON0097,L,"2,2,4-trimethylpentane",CC(C)CC(C)(C)C,10907,strange that the blending ONs are listed as 100,"Sandia, UML",[1],C8H18,PubChem,,100,0,0.7455,0.55577025,27.075,17.07193,0,0,17,7,10,0,5,0,2,0,0,0,0,0,0,0,1243.417247,1130.35521,1383.841807,1325.040754,588.00605,148.333248,18.289152,0,0,2861.203507,3326.105375,4074.341527,4008.743386,2815.938428,1470.09063,559.5073998,0,0,131.590652,123.89952,216.519916,223.727536,246.085256,105.566976,120.932352,0,0,19.67703705,23.5201631,30.10520289,29.92597805,22.05501317,14.69637043,8.003032287,0,0,2854.050872,2371.638531,4597.229995,4670.223679,5308.101922,2392.223529,3328.517736,0,0,87.80555556,51.38888889,85.66666667,102.1666667,107,27,18,0,0,73.142191,70.64720063,49.42292168,45.69106048,19.60020167,9.8888832,1.016064,0,0,168.3060886,207.8815859,145.5121974,138.2325305,93.86461427,98.00604198,31.08374443,0,0,7.740626588,7.74372,7.732854143,7.714742621,8.202841867,7.0377984,6.718464,0,0,1.157472768,1.470010194,1.075185818,1.031930278,0.735167106,0.979758029,0.444612905,0,0,167.8853454,148.2274082,164.1867855,161.0421958,176.9367307,159.4815686,184.917652,0,0,5.16503268,3.211805556,3.05952381,3.522988506,3.566666667,1.8,1,0,0,0.264542299,-0.161241266,0.021148346,0.106715824,-0.117501333,-0.004211608,0.022818888,0,0,629.8202065,-12.09745997,168.9220628,-64.20906574,-572.3107065,-285.1831697,449.9682359,0,0,780.5766247,-146.4197851,185.9519761,-378.5905397,-56.95684458,-536.3430796,542.0699606,0,0,1.881607059,-0.015005232,0.597607903,-0.160408747,-2.004744457,0.120106007,0.521640997,0,0,3.424768994,-1.080059213,0.801235509,-2.668590195,1.787479987,-2.293065721,1.740615137,0,0,19.34959846,-6.628413839,4.57546903,-16.30100259,12.40769457,-12.18402931,8.455482906,0,0,36.61437908,-1.656670511,8.888408304,2.370242215,-36.92733564,-0.71366782,9.73183391,0,0,0.015561312,-0.010077579,7.55E-04,0.003679856,-0.003916711,-2.81E-04,0.001267716,0,0,37.04824744,-0.756091248,6.032930815,-2.214105715,-19.07702355,-19.01221131,24.99823533,0,0,45.91627204,-9.151236571,6.641142004,-13.0548462,-1.898561486,-35.75620531,30.11499781,0,0,0.110682768,-9.38E-04,0.021343139,-0.005531336,-0.066824815,0.008007067,0.028980055,0,0,0.201457,-0.067503701,0.028615554,-0.092020352,0.059582666,-0.152871048,0.096700841,0,0,1.138211674,-0.414275865,0.163409608,-0.562103538,0.413589819,-0.81226862,0.46974905,0,0,2.153787005,-0.103541907,0.317443154,0.08173249,-1.230911188,-0.047577855,0.540657439,0,0,-0.647604732,0.048536915,0.236474666,-0.251695434,-0.018043073,0.081465883,0,0,-0.020408287,0.162839843,-0.059762765,-0.514923778,-0.513174377,0.67474812,0,0,-0.199302691,0.144635915,-0.284318513,-0.041348337,-0.778726227,0.655867658,0,0,-0.008473107,0.192831637,-0.049974682,-0.603750849,0.072342491,0.261829875,0,0,-0.335077465,0.142042986,-0.456774159,0.295758729,-0.758827186,0.480007352,0,0,-0.363970845,0.143566976,-0.493847982,0.363368105,-0.713635819,0.412707988,0,0,-0.048074348,0.147388369,0.03794827,-0.571510175,-0.022090325,0.251026419,0,0,1.617504738,1.033784618,1.110946089,1.543663269,0.144778789,0.026385466,0,0,0.99899345,0.81456018,1.027100353,1.632302981,1.230228007,0,0,0,1.508256898,0.858481053,1.313281694,0.735257667,1.845834733,0,0,0,0.720275784,0.796568926,0.987233571,2.41106295,0.080666364,0,0,0,1.799320607,0.885941661,1.522381755,0.33480885,1.880744492,0,0,0,1.84360627,0.890698995,1.565380566,0.301448699,1.808215364,0,0,0,0.60313281,0.555987657,0.995986655,2.64255623,0.174794716,0,0,0,22.38977254,11.44488627,16.99983844,22.7469154,3.249559342,11.44492107,0.5,0.08744598,0.012492283,-1.705713831,22.14379885,3.163399835,2.168290247,22.39911033,11.44882074,17.00543989,22.75520401,3.25074343,11.44885539,0.498531158,0.087056295,0.012436614,-1.708840211,22.15827544,3.16546792,2.168747725,30.83565763,15.01883433,22.57513889,30.26566551,4.323666502,15.01883507,-0.797988956,0.191921446,0.027417349,-1.155468388,45.27681667,6.468116667,2.66895659,22.4089111,11.45295035,17.01132064,22.76390367,3.251986239,11.45298484,0.4969896,0.086647412,0.012378202,-1.712135692,22.17352609,3.167646584,2.169229341,39.97626287,18.90583717,29.25388465,38.43012821,5.490018316,18.90583718,-2.164588529,0.337622191,0.048231742,-0.760079451,22.64287145,3.234695921,2.183891553,23.37055661,11.85841249,17.59606585,23.61789116,3.373984452,11.85843446,0.346268372,0.047200453,0.006742922,-2.137346254,23.99454625,3.427792321,2.224478595,24.37048953,12.49107299,19.33752913,24.84130585,3.548757979,12.49108796,1.098571429,0.2656431,0.037949014,-0.927921121,18.07174633,2.581678048,2.02604482,0,11.99640053,15.99825848,-0.349399905,0.263788354,4.036119858,7.095128738,6,16,15,15,5,1,1,0,0,1,13.80607,3.558254358,2.941391517,2.491726046,2.333552793,1.190470968,1.072858919,0.083923071,0.083923071,1.799785596,1.428216237,1.249629723,0.84652386,0.264348958,0.083923071,0.083923071,0.083923071,3.472433173,2.85046942,2.405454588,2.39383797,1.211980661,0.634095789,0.270913902,0.270913902,1.780958673,1.405297616,1.134540686,0.923086165,0.211134644,0.270913902,0.270913902,0.270913902,3.639863612,3.137865756,2.704236987,2.697425731,1.6698388,1.255835685,0.943918427,0.943918427,1.580589349,1.061163973,0.76031856,0.582358791,0.316363373,0.943918427,0.943918427,0.943918427,3.464280132,2.838056669,2.457539916,2.379341251,1.261008177,0.465143439,0.399277246,0.399277246,1.779413136,1.388284017,1.058262671,0.942677157,0.139144578,0.399277246,0.399277246,0.399277246,3.661495587,3.196756147,2.838982085,2.744424992,1.835045658,1.209058028,1.207644823,1.207644823,1.54682937,0.996594548,0.631337262,0.536526663,0.474876785,1.207644823,1.207644823,1.207644823,4.660023908,3.275784747,3.158550919,2.587517045,1.896321128,1.421296726,0.555555556,0.555555556,1.662861677,1.100513747,0.920850378,0.477698649,0.217985533,0.555555556,0.555555556,0.555555556,0,0,1,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.336787657,0,0.048112522,0,1.276142375,0.707106781,0.23570226,0.380039828,0.214076175,0.048112522,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,4.89384685,2.259872254,1.677860277,0.672588984,0.23570226,0,0,0,0.699120979,0.376645376,0.239694325,0.112098164,0.11785113,0,0,0,9.138737228,17.10050983,16.3254902,16.6,9.953251497,131.4503174,0.537572778,1.005912343,0.960322953,0.976470588,0.585485382,7.73237161,0.8154,26.854,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,1,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66203704,-0.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.249305556,0.5125,0,0,0,0,0,0,0,0,0,0,4.986111111,0,0,0,0,0,0.00462963,0,0,-0.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.28935185,4.372685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.372685185,-0.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368402778,0.5125,0,0,0,0,0,0,0,0,0,0,1.391203704,0,0,0,0,0,0.00462963,0,0,-0.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.28935185,4.372685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.28935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,1.797453704,0,0,0,0,0,0.00462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.28935185,4.372685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.5,2.785714286,0.598958333,10.28935185,0.354166667,-0.152777778,2.177509259,1.819444444,3.289351852,8.324074074,1.819444444,3.289351852,8.324074074,3.16666,0.45238,0,0.04762,0.5549,0.91905,0.42174,0.5549,0.91905,0.13316,0,-0.13316,0,0.49223,0.22206,0,0.57895,0.31579,0,5.25,0.75,3.75,0.53571,1.5,0.21429,-2.25,-0.32143,0,0,4.69267,0.67038,7.55695,2.86428,0.40918,2.08147,0.29735,3.18073,1.09926,0.15704,0.23327,0.03332,0.23327,0.03332,0,6.02,2,2,2,2,0,0,0.8,1.332820405,2.015740432,2.777776811,2.777776811,2.537337821,1.816020849,22.65794688,34.26758735,47.22220579,47.22220579,43.13474295,30.87235443,0.326075235,0.49315199,0.679584603,0.679584603,0.620761073,0.444290485,2.754642437,2.071722409,1.30968603,1.30968603,1.55012502,2.271441992,0.326075235,0.49315199,0.679584603,0.679584603,0.620761073,0.444290485,12.49498498,21.16001527,21.92801461,21.92801461,19.04274672,8.465876578,25.89308809,17.03684232,17.28075429,17.28075429,15.83812035,10.54846255,7,3.06122449,2.666666667,7,3,3,1.79,0.8875,0.944940787,0,3.532775529,0,0,0,0,1,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.426,0.519,0.065,2.631,7,6,2,0,0,0,0,0,0,28,2.079441542,2.302585093,2.302585093,1.098612289,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,2,1.111111111,0.25,0,0,0,0,0,0,0,0.333333333,0.158730159,0.041666667,0,0,0,0,0,0,0,0.533730159,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,26.3,109.9803765,3.807354922,3.295836866,3.970291914,4.691347882,5.398162702,6.120297419,6.834108739,7.556427969,8.272059622,8.994296558,68.13282967,2.564949357,0,3.713572067,0,5.056245805,0,6.463029457,0,7.890956716,8.168486417,102.0680796,6.00400468,12.50524286,1.786463266,5.038666444,5.038666444,0,46,6,0.787,26,1.2270625,2.095207271,2.894583365,3.52321422,4.67163558,5.104922683,0,0,0,0,96.90864932,115.5857239,139.6551594,76.86326703,46.91829202,5.186928161,0,0,0,0,275.0821314,330.4755461,415.1579483,354.789718,463.2868309,158.680112,0,0,0,0,9.573754286,16.34256345,22.41155987,28.77948802,32.90397954,34.29723927,0,0,0,0,1.899056374,2.390336146,3.062705574,2.759717271,4.620560058,2.269714503,0,0,0,0,180.4501068,340.16152,464.0044852,618.0460379,742.9727534,943.9903162,0,0,0,0,4.044145833,6.81941559,10.39212298,12.29572422,8.473954581,5.104922683,0,0,0,0,0.445526719,0.579710394,0.776102706,0.741614593,1.001574578,0.522744083,0,0,0,0,382.2301823,264.2152305,19.14840806,122.9680724,-85.0012351,-18.86984426,259.2621099,349.2164656,38.01825232,0.756594424,0.522993158,0.03790276,0.243405576,-0.168253224,-0.037351365,193.102021,133.4810733,9.673742332,62.12325555,-42.94247562,-9.533012389,0.381581,0.461125919,10.40418024,5.738833731,423.0819806,82.11627414,0.837457328,0.162542672,523.9030215,22.88892792,8.061520593,620.7733823,24.91532425,8.530563018,878.785576,29.64431777,9.578429491,1.354972675,1.221238092,331.8338481,255.389518,108.6841645,1.299324462,3.053194083,2.349831911,3.592443368,3.222561645,6.153310547,0.909446963,2.802231592,3.344489696,5.546013194,6.070438004,3.872421177,5.012569276,2.780146484,3.611235616,1.628230194,0.681157651,0.622347122,1.04E-05,1.07E-31,2.23E-79,9.30E-149,7.67E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2516794,3.495518159,0.533473363,3.790889656,0.233664675,1.956257476,0.733100313,0.298277135,0.083965796,0.056963752,0.004383242,7.33E-08,7.57E-34,1.57E-81,6.55E-151,5.40E-242,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765034346,3.214431342,1.062071595,3.821389338,0.740721729,1.84222362,0.913410555,0.92352575,0.305631858,0.18401844,0.045676758,7.64E-07,7.88E-33,1.64E-80,6.82E-150,5.63E-241,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650193139,3.495060401,6.480776598,6.41850665,3.699385184,5.50943352,2.660457626,3.398724481,1.50059611,0.642818796,0.554500081,9.28E-06,9.57E-32,1.99E-79,8.28E-149,6.83E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.119938123,3.107624088,1.212684274,3.910943381,1.126027391,1.865448397,1.084984153,1.365765085,0.485575955,0.27134338,0.099216021,1.66E-06,1.71E-32,3.56E-80,1.48E-149,1.22E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.384123505,3.439933073,7.893154057,7.010656222,5.129801295,6.58896208,3.673776973,4.45160649,2.138379014,0.823252409,0.907634789,1.52E-05,1.57E-31,3.26E-79,1.36E-148,1.12E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.711826294,3.199791866,6.829006853,7.292906795,2.312251836,7.633304885,2.033611988,2.164920276,0.793340773,0.419660394,0.192082445,3.21E-06,3.32E-32,6.90E-80,2.87E-149,2.37E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.776472421,1.265404197,0.472003714,0.684902862,0.229494316,0.544789426,0.481034806,0.422936711,5.513880331,7.158548538,14.92802325,0.527354293,1.448760943,2.408093157,0.933992309,0.158537732,0.687904131,0.266807439,0.223799534,0.265761988,0.039747216,3.500623198,2.778987137,6.636183966,0.531856196,0.529308738,3.065476099,1.008012054,0.280936138,0.703991135,0.231491464,0.359765378,0.304102948,0.145542165,4.354424291,4.23442689,9.456954202,0.555986702,0.809410491,3.642927822,1.254337102,0.455287485,0.680596385,0.234343731,0.507287466,0.470551755,0.387222816,5.352552409,6.799122956,14.2320931,0.520894578,1.365062037,3.38320662,1.071118915,0.3401318,0.705649541,0.223407748,0.437472872,0.34564443,0.220243554,4.794457336,5.138874368,11.16590697,0.558474312,1.003360856,3.838160005,1.299618591,0.494656433,0.681438842,0.230738319,0.562706836,0.506974841,0.463864285,5.632435029,7.529579333,15.62943193,0.522158263,1.533545962,3.665903494,1.272241663,0.458577793,0.679283248,0.235743371,0.514226493,0.485122147,0.393570712,5.396722949,6.928438862,14.46392973,0.518924872,1.392919352 +UMLRON0098,L,"2-Methyl propanoic acid, methyl ester",CC(C)C(=O)OC,11039,Opting for Sandia/UML values,"Sandia, UML",[9],C5H10O2,UML,"smiles code is result of 2-methyl propanoic acid reacting with methanol (esterification) to produce 'methyl ester', specifically methyl 2-methylpropanoate",102.7,0,1.1075,1.22655625,27.3795,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,894.311257,941.764873,706.703975,533.76297,133.168896,6.096384,0,0,2644.81273,3111.440287,3640.513361,3306.634392,2364.901695,1094.55995,186.5024666,0,0,118.238936,113.725804,184.461484,182.459684,205.857144,151.68384,40.310784,0,0,19.03383305,23.05160678,28.92575372,28.16061288,22.04147389,10.77105139,2.667677429,0,0,2668.599586,2223.807959,4009.660895,3934.870237,4949.717114,3636.36258,1109.505912,0,0,63.02777778,45,64.16666667,59.33333333,58.66666667,52,6,0,0,61.71557788,59.62075047,37.67059492,28.268159,18.40561966,6.6584448,1.016064,0,0,165.3007956,207.4293525,145.6205345,132.2653757,81.54833431,54.72799748,31.08374443,0,0,7.3899335,7.581720267,7.37845936,7.29838736,7.098522207,7.584192,6.718464,0,0,1.189614566,1.536773785,1.157030149,1.126424515,0.760050824,0.53855257,0.444612905,0,0,166.7874742,148.2538639,160.3864358,157.3948095,170.6799005,181.818129,184.917652,0,0,3.939236111,3,2.566666667,2.373333333,2.022988506,2.6,1,0,0,0.230435513,-0.10216257,-0.021173421,-0.010320333,0.046937089,-0.063203029,0.034704507,0,0,523.7576238,-61.37440864,-31.81109361,-304.6363672,128.0334735,-106.9538542,114.8634383,0,0,766.4429154,-64.08388028,6.681852741,-553.3628414,-45.62552823,107.17841,165.9905295,0,0,1.03666,-0.10552625,-0.13128875,-0.09238775,0.23486625,-0.502655,0.0786615,0,0,3.391946473,-0.184652645,0.16238178,-2.452906795,-1.008634642,1.165918109,0.621920956,0,0,18.82152525,-0.868064488,1.05603693,-13.30318059,-6.804589582,7.316501624,3.192533483,0,0,23.44270833,-4.399414063,-1.125759549,-4.648328993,8.25141059,-11.76866319,1.969401042,0,0,0.01440222,-0.006810838,-8.47E-04,-4.13E-04,0.00161852,-0.003160151,0.005784084,0,0,32.73485148,-4.091627243,-1.272443744,-12.18545469,4.41494736,-5.347692709,19.14390639,0,0,47.90268221,-4.272258686,0.26727411,-22.13451365,-1.573294077,5.358920498,27.66508825,0,0,0.06479125,-0.007035083,-0.00525155,-0.00369551,0.008098836,-0.02513275,0.01311025,0,0,0.211996655,-0.012310176,0.006495271,-0.098116272,-0.034780505,0.058295905,0.103653493,0,0,1.176345328,-0.057870966,0.042241477,-0.532127224,-0.23464102,0.365825081,0.532088914,0,0,1.465169271,-0.293294271,-0.045030382,-0.18593316,0.2845314,-0.58843316,0.328233507,0,0,-0.472901968,-0.058805995,-0.028663174,0.112379923,-0.21942114,0.401610628,0,0,-0.124992999,-0.038871224,-0.372247135,0.134869937,-0.163363891,0.584817267,0,0,-0.08918621,0.005579523,-0.462072532,-0.032843549,0.11187099,0.577526914,0,0,-0.108580763,-0.081053383,-0.057037177,0.124998919,-0.387903459,0.202345996,0,0,-0.058067786,0.030638555,-0.462819906,-0.164061574,0.274985026,0.488939285,0,0,-0.049195559,0.035909079,-0.452356303,-0.199466104,0.31098443,0.452323736,0,0,-0.200177738,-0.030733911,-0.12690217,0.194196947,-0.401614456,0.224024291,0,0,1.368619598,0.879370361,0.754638362,0.45379245,1.947293137,1.085774028,0,0,1.269889206,1.029344676,1.316690931,0.673285099,1.138775193,0,0,0,1.398696897,1.048119053,1.544170564,0.858859731,0.465268695,0,0,0,1.044581637,0.966863195,0.681654544,0.476448235,2.465066656,0,0,0,1.448950267,1.049012986,1.581474052,0.958979059,0.234658866,0,0,0,1.454759456,1.047138199,1.569961263,0.979079053,0.217891453,0,0,0,1.137524994,0.91677405,0.769962231,0.418604295,2.431459676,0,0,0,18.13904993,9.194524963,13.86012745,18.30571659,3.050952765,9.194798085,0.25,0.068620858,0.01143681,-1.607495243,29.01191641,4.835319402,2.020623994,18.14221649,9.195741034,13.86224782,18.30839354,3.051398923,9.196013776,0.249265579,0.068787392,0.011464565,-1.60604088,28.96846899,4.828078165,2.019724777,20.96535597,10.28318075,15.9612078,20.69935965,3.449893276,10.28326459,-0.398994478,0.206386721,0.034397787,-0.94680215,19.19888616,3.19981436,1.772911359,18.14553991,9.197017354,13.86447382,18.31120311,3.051867184,9.197289698,0.2484948,0.068962171,0.011493695,-1.604518303,28.92316859,4.820528098,2.018785773,23.98354189,11.45062381,18.56721484,23.26201238,3.877002063,11.45064909,-1.082294264,0.30919697,0.051532828,-0.704266057,20.70041445,3.450069075,1.818092233,18.47093035,9.322032269,14.08530327,18.58635314,3.097725524,9.322268586,0.173134186,0.086033278,0.01433888,-1.471812661,25.58171594,4.263619323,1.945126725,17.29678496,8.959503591,13.54783678,17.71159977,2.951933296,8.959883804,0.622222222,0.00508294,8.47E-04,-3.169119306,54.76551477,9.127585794,2.401836422,0,11.99640057,15.99794223,-0.416929661,0.087317326,4.033414643,7.174379394,5,15,14,14,4,1,1,0,0,1,10.93207,3.522880391,2.844341681,2.333552793,1.95151914,1.247291712,0.354612376,0.083923071,0.083923071,1.831403533,1.360895552,1.249629723,0.677036555,0.383588404,0.083923071,0.083923071,0.083923071,3.527388523,2.780631295,2.405454588,1.873566256,1.194928977,0.480287045,0.270913902,0.270913902,1.7898806,1.329216892,1.134540686,0.627371947,0.311877944,0.270913902,0.270913902,0.270913902,3.630623175,3.051220498,2.704236987,2.25027394,1.748476388,0.959218208,0.943918427,0.943918427,1.634924815,1.002794455,0.76031856,0.190992373,0.295235925,0.943918427,0.943918427,0.943918427,3.538405639,2.787334706,2.457539916,1.884082124,1.209463766,0.569008004,0.399277246,0.399277246,1.76494431,1.308987807,1.058262671,0.596914339,0.240099279,0.399277246,0.399277246,0.399277246,3.672691025,3.116895434,2.838982085,2.343670368,1.910978431,1.207644823,1.207644823,1.207644823,1.594869763,0.929583964,0.631337262,0.087020375,0.456433747,1.150770461,1.207644823,1.207644823,4.040424125,3.457399298,2.571572866,2.477390284,1.635554917,0.647030055,0.545454545,0.545454545,1.697253969,1.107463059,0.935209229,0.323941551,0.234496264,0.545454545,0.545454545,0.545454545,0,0,0,1,1,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.288675135,0,0,0,0.288675135,0.288675135,0,0.204124145,0.091287093,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.231670646,2.013151191,1.4640486,0.499535383,0.182574186,0,0,0,0.705278441,0.402630238,0.29280972,0.166511794,0.091287093,0,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,0.87109,26.2468,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,1,0,1,2,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,3,0,1,0,0,0,0,0,0,0,0,2,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.739791667,0,8.160277778,2.928240741,0,0,0,0,0,0,0,0,0,0.739791667,0,0,0,0,0,0,0,0,0,0,0.415277778,0,0,0,1.200833333,0,0.415277778,0,0,0,0,0,0,0,0,3.909166667,0,0.168981481,0,1.763888889,0,0,0,0,1.164351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.160277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.739791667,0,8.160277778,1.164351852,0,0,0,0,0,0,0,0,0,0.739791667,0,0,0,0,0,0,0,0,0,0,0.415277778,0,0,0,0.330277778,0,0.415277778,0,0,0,0,0,0,0,0,1.954583333,0,0.168981481,0,1.763888889,0,0,0,0,1.164351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.160277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.739791667,0,8.160277778,1.763888889,0,0,0,0,0,0,0,0,0,0.739791667,0,0,0,0,0,0,0,0,0,0,0.415277778,0,0,0,0.540277778,0,0.415277778,0,0,0,0,0,0,0,0,1.954583333,0,0.168981481,0,1.763888889,0,0,0,0,1.164351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.160277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.16666667,2.527777778,0.739791667,8.160277778,0.144097222,0.168981481,2.099924352,1.331018519,2.160277778,4.320555556,1.331018519,2.160277778,4.320555556,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.42,0.47593,0.75238,0.07792,0.02199,-0.05593,0.0754,0.57047,0.14382,0,0.47059,0.17647,0,3.75,0.625,2.75,0.45833,1,0.16667,-1.75,-0.29167,0,0,4.01833,0.66972,5.69868,1.68035,0.28006,1.8559,0.30932,2.77005,0.91415,0.15236,0.14395,0.02399,0.14395,0.02399,0,5.01,1,1,1,1,1,1,0.6,1.198192411,2.375,2.780639062,2.780639062,2.530639062,1.780639062,19.17107858,38,44.490225,44.490225,40.490225,28.490225,0.299548103,0.59375,0.695159766,0.695159766,0.632659766,0.445159766,2.801807589,1.625,1.219360938,1.219360938,1.469360938,2.219360938,0.299548103,0.59375,0.695159766,0.695159766,0.632659766,0.445159766,10.71860945,18.50655369,18.91536689,18.91536689,15.91536689,9.66341063,21.96987352,15.5,15.43383437,15.43383437,13.93383437,10.68383437,6,3.2,5.333333333,6,2,4,1.9,0.8288,0.5,1.632993162,2,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.387,0.525,0.349,3.036,5,3,2,0,0,0,0,0,0,21,1.945910149,2.197224577,1.945910149,1.609437912,0,0,0,0,0,0,3.433987204,1.428571429,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,20.23,101.1901498,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,86.07316494,5.379572809,10.67917749,1.779862916,2.371664406,2.371664406,0,32,3,0.702,20,1.205726492,2.095697408,2.993448644,3.64854879,4.376425352,5.174454562,0,0,0,0,83.43197,90.82960219,94.57105109,80.42354878,32.41463873,5.257577,0,0,0,0,274.4670625,335.7065417,416.1441112,319.601219,252.5041078,160.8414232,0,0,0,0,9.174694684,15.55074601,21.91056577,26.13924361,33.71965075,34.76438669,0,0,0,0,1.980235469,2.60259895,3.477075335,2.864370354,2.401936745,2.300629274,0,0,0,0,176.4466208,331.3410398,468.2655549,619.1252548,794.419691,956.8479881,0,0,0,0,3.745538319,5.671644287,7.321038563,8.137566463,12.34938028,5.174454562,0,0,0,0,0.43560519,0.581525847,0.77865914,0.69073747,0.667636878,0.529864147,0,0,0,0,244.1520147,150.8926099,13.24180635,87.96583785,-54.36528907,-17.05164555,156.1861768,205.257899,30.2934519,0.735136678,0.454334534,0.039870806,0.264863322,-0.163692763,-0.051342153,81.0872428,50.11412956,4.39784029,29.21502516,-18.05568306,-5.6631559,0.34006375,0.633724548,8.192445398,23.10112721,271.5739952,60.54385732,0.817703695,0.182296305,366.4181325,19.14205142,7.155813047,473.6433667,21.76334916,7.795018552,549.5323901,23.4421072,8.190890092,1.11306973,1.00064378,331.5214108,272.7662123,69.73389576,1.215404973,4.754092787,3.911529814,3.67262872,3.388655912,5.861398861,0.72971202,4.647708209,3.603957389,3.519073614,8.872005385,4.695111204,4.221743475,2.565742436,2.491566357,4.57963923,0.953531234,0.15088621,1.95E-18,4.98E-57,2.46E-117,2.35E-199,4.31E-303,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.415675113,3.764372081,0.338353645,4.30831195,1.198809635,0.290439974,0.412281017,0.346146793,0.480086193,0.006798866,0.001526705,1.37E-20,3.51E-59,1.73E-119,1.65E-201,3.04E-305,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.188089879,3.456980128,0.815314361,4.745295327,1.727316577,0.804210216,0.590180602,0.357257369,0.801999763,0.070079165,0.011606901,1.43E-19,3.66E-58,1.81E-118,1.72E-200,3.17E-304,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.674039895,3.768254368,3.84052697,8.884517196,4.415565681,3.910993505,2.628070969,2.331603409,5.117188688,0.849868668,0.136054024,1.73E-18,4.44E-57,2.19E-117,2.09E-199,3.84E-303,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.664911771,3.340479047,1.047565064,5.110937323,2.145098677,1.244267592,0.717301854,0.497919697,0.945886725,0.152039797,0.024197829,3.10E-19,7.94E-58,3.93E-118,3.74E-200,6.88E-304,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.845279363,3.710718199,4.683518737,10.68333688,5.804517829,5.565300664,3.575526887,3.549372247,6.557758556,1.390637358,0.220062671,2.84E-18,7.27E-57,3.59E-117,3.42E-199,6.29E-303,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.738611029,4.312224514,3.882547064,8.248451809,2.665991476,2.107987051,2.200114821,1.553686925,5.775531339,0.284874983,0.051481578,5.79E-19,1.48E-57,7.33E-118,6.98E-200,1.28E-303,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.315465053,1.516456811,0.328933792,0.642425457,0.293838253,0.577746574,0.604584528,0.421741817,5.160855656,6.617141946,13.43179762,0.463638185,1.604072919,3.266561453,0.752301359,0.065640723,0.799745042,0.184184284,0.564723891,0.147827217,0.016277999,4.084503536,2.721239684,6.967051269,0.699617563,0.728829107,2.904180283,1.086809141,0.173127947,0.697429977,0.260993878,0.444176715,0.311372561,0.117277909,4.164117371,3.847241483,8.557800806,0.546144966,0.872827185,3.423633869,1.471533352,0.31642459,0.656926711,0.282357753,0.615204444,0.571138907,0.391784122,5.211591811,6.586942703,13.39267888,0.485390067,1.578127472,2.846424811,1.236836017,0.224013898,0.660841249,0.287150483,0.427505943,0.399736356,0.196769738,4.307274726,4.435267899,9.531197155,0.491261874,1.024012037,3.408695935,1.564471086,0.347205069,0.640687508,0.294052946,0.610294082,0.644142513,0.469360681,5.32037209,7.059515031,14.23146448,0.461031262,1.723797277,3.405409413,1.47706086,0.317108349,0.654939498,0.284073185,0.608725041,0.575330782,0.393352171,5.199578621,6.578269041,13.37290169,0.482409247,1.577407994 +UMLRON0099,L,3-methyl-2-buten-1-ol,CC(=CCO)C,11173,Co optima database valuese measured by NREL,Sandia,,C5H10O,PubChem,,93.5,0,2.2637,5.12433769,29.274,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,1177.401631,822.251307,218.184624,18.289152,0,0,0,2914.106344,3494.423905,4767.031769,5004.289918,2840.064045,559.5073998,0,0,0,125.864664,123.114164,212.497468,263.8227,348.629184,120.932352,0,0,0,22.06875486,27.30703172,38.44450508,44.88934373,32.70922922,8.003032287,0,0,0,2979.777961,2471.442353,4727.330133,5650.139899,8953.873689,3328.517736,0,0,0,38.5625,42,57.25,82.5,75,18,0,0,0,48.76541633,50.97680359,39.24672103,22.2230083,4.278129882,1.016064,0,0,0,161.8947969,205.5543474,158.901059,135.2510789,55.6875303,31.08374443,0,0,0,6.992481333,7.242009647,7.083248933,7.130343243,6.835866353,6.718464,0,0,0,1.226041937,1.606295984,1.281483503,1.213225506,0.641357436,0.444612905,0,0,0,165.54322,145.3789619,157.5776711,152.7064838,175.5661508,184.917652,0,0,0,2.142361111,2.470588235,1.908333333,2.22972973,1.470588235,1,0,0,0,0.041805491,-0.014031132,0.01376157,-0.030988727,-0.012418079,0.022773623,0,0,0,484.264036,-53.80711511,161.4213453,-672.5889389,80.71067267,242.132018,0,0,0,900.5096538,-100.0566282,300.1698846,-1250.707852,150.0849423,450.2548269,0,0,0,0.094864,-0.010540444,0.031621333,-0.131755556,0.015810667,0.047432,0,0,0,4.025697139,-0.447299682,1.341899046,-5.591246027,0.670949523,2.01284857,0,0,0,21.86765075,-2.429738973,7.289216918,-30.37173716,3.644608459,10.93382538,0,0,0,5.892361111,-2.589313272,2.912037037,-3.254436728,-2.184606481,2.170138889,0,0,0,0.002322527,-8.25E-04,4.59E-04,-8.38E-04,-2.43E-04,0.001265201,0,0,0,26.90355756,-3.165124418,5.380711511,-18.17807943,1.582562209,13.45177878,0,0,0,50.0283141,-5.885684011,10.00566282,-33.80291493,2.942842006,25.01415705,0,0,0,0.005270222,-6.20E-04,0.001054044,-0.003560961,3.10E-04,0.002635111,0,0,0,0.223649841,-0.026311746,0.044729968,-0.151114757,0.013155873,0.111824921,0,0,0,1.214869486,-0.142925822,0.242973897,-0.820857761,0.071462911,0.607434743,0,0,0,0.327353395,-0.152312545,0.097067901,-0.087957749,-0.042835421,0.120563272,0,0,0,-0.355371819,0.197508552,-0.360612847,-0.104839133,0.544751972,0,0,0,-0.117647059,0.2,-0.675675676,0.058823529,0.5,0,0,0,-0.117647059,0.2,-0.675675676,0.058823529,0.5,0,0,0,-0.117647059,0.2,-0.675675676,0.058823529,0.5,0,0,0,-0.117647059,0.2,-0.675675676,0.058823529,0.5,0,0,0,-0.117647059,0.2,-0.675675676,0.058823529,0.5,0,0,0,-0.465284759,0.296523276,-0.268693561,-0.130853756,0.368296995,0,0,0,1.620066961,0.653424154,1.538731167,0.897225731,0.175809531,0,0,0,1.5,0.920833333,1.837837838,0.625,0,0,0,0,1.5,0.920833333,1.837837838,0.625,0,0,0,0,1.5,0.920833333,1.837837838,0.625,0,0,0,0,1.5,0.920833333,1.837837838,0.625,0,0,0,0,1.5,0.920833333,1.837837838,0.625,0,0,0,0,1.803182086,0.465822039,1.291468251,1.187978786,0,0,0,0,17.50479896,8.75239948,12.38729701,17.50479896,2.917466493,8.752787923,-8.88E-15,0.031650066,0.005275011,-2.071809035,19.90374672,3.31729112,1.794544795,17.50479896,8.75239948,12.38729701,17.50479896,2.917466493,8.752787923,-8.88E-15,0.031650066,0.005275011,-2.071809035,19.90374672,3.31729112,1.794544795,17.50479896,8.75239948,12.38729701,17.50479896,2.917466493,8.752787923,-8.88E-15,0.031650066,0.005275011,-2.071809035,19.90374672,3.31729112,1.794544795,17.50479896,8.75239948,12.38729701,17.50479896,2.917466493,8.752787923,-8.88E-15,0.031650066,0.005275011,-2.071809035,19.90374672,3.31729112,1.794544795,17.50479896,8.75239948,12.38729701,17.50479896,2.917466493,8.752787923,-8.88E-15,0.031650066,0.005275011,-2.071809035,19.90374672,3.31729112,1.794544795,17.50479896,8.75239948,12.38729701,17.50479896,2.917466493,8.752787923,-8.88E-15,0.031650066,0.005275011,-2.071809035,19.90374672,3.31729112,1.794544795,27.90831543,13.75554661,19.36557169,27.64350062,4.607250103,13.75554882,-0.397222222,0.097385288,0.016230881,-1.397448076,21.54508427,3.590847378,1.842088609,0,11.79,12.21003864,-0.304077287,0.116294059,5.445299596,8.439502485,5,17,16,16,4,1,1,0,0,1,13.118484,3.559595674,2.810292559,2.333552793,2.333552793,1.229078407,0.405152309,0.083923071,0.083923071,1.901745452,1.399051877,1.249629723,1.249629723,0.451552408,0.083923071,0.083923071,0.083923071,3.580871496,2.850375932,2.405454588,2.405454588,1.327202193,0.521938912,0.270913902,0.270913902,1.848223016,1.315586623,1.134540686,1.134540686,0.303837187,0.270913902,0.270913902,0.270913902,3.677524158,3.027651915,2.704236987,2.704236987,1.734420258,0.962615914,0.943918427,0.943918427,1.697428799,1.062968109,0.76031856,0.76031856,0.189939944,0.943918427,0.943918427,0.943918427,3.596710865,2.880008542,2.457539916,2.457539916,1.398418513,0.603988134,0.399277246,0.399277246,1.814714325,1.261729295,1.058262671,1.058262671,0.204850698,0.399277246,0.399277246,0.399277246,3.726436429,3.113625125,2.838982085,2.838982085,1.91549993,1.207644823,1.207644823,1.207644823,1.652553019,0.98273017,0.631337262,0.631337262,0.364410565,1.138245609,1.207644823,1.207644823,3.574635334,3.026751418,2.483972303,2.483972303,1.48022226,0.530922458,0.489795918,0.489795918,1.880062258,1.100553661,1.014584548,1.014584548,0.121711469,0.489795918,0.489795918,0.489795918,0,0,1,1,0,3,0,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.366025404,0.288675135,0,0,1.060660172,0.353553391,0,0.612372436,0.204124145,0,5.207106781,2.560660172,2.914213562,1.060660172,0,0,0,0,0.86785113,0.512132034,0.416316223,0.353553391,0,0,0,0,4.78445705,2.196923425,2.570149549,0.612372436,0,0,0,0,0.797409508,0.439384685,0.367164221,0.204124145,0,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,24,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,3,0,0,2,0,0,0,0,0,0,0,0,3,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.569444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375347222,0.304166667,0,0,0.730208333,0,0,0.679513889,0,0,0,0,0,0,0,0,6.375,3.631944444,0,0,1.9375,0,0,0,0,0,0,0,0.305555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.9375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375347222,0.304166667,0,0,0.243402778,0,0,0.304166667,0,0,0,0,0,0,0,0,2.125,3.631944444,0,0,1.9375,0,0,0,0,0,0,0,0.305555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.631944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375347222,0.304166667,0,0,0.243402778,0,0,0.375347222,0,0,0,0,0,0,0,0,2.125,3.631944444,0,0,1.9375,0,0,0,0,0,0,0,0.305555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.25,2.041666667,0.375347222,3.631944444,0.090277778,0.305555556,4.526319444,0.944444444,0.631944444,2.013888889,0.944444444,0.631944444,2.013888889,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.66667,0,0.16667,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,5.01036,0.83506,6.37132,1.36096,0.22683,2.03867,0.33978,2.56066,0.52199,0.087,0.35334,0.05889,0.35334,0.05889,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.056641667,2.209690973,2.209690973,1.746365973,0.852213889,16.52932501,37.01955001,39.77443751,39.77443751,31.43458751,15.33985,0.220218789,0.493208311,0.529911443,0.529911443,0.418800331,0.204371515,3.251629167,2.113283334,1.960234029,1.960234029,2.423559029,3.317711112,0.220218789,0.493208311,0.529911443,0.529911443,0.418800331,0.204371515,6.73287657,14.44788584,14.60213276,14.60213276,9.042232759,0.85888249,23.69925001,17.71729375,17.36090278,17.36090278,14.58095278,5.204427778,6,1.632653061,5.333333333,6,2,4,2.12,0.911,2.449489743,2.37841423,0,3.363585661,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.159,0.147,0.088,0.146,2.249,7,3,0,0,0,0,0,0,0,21,1.945910149,2.197224577,1.945910149,0,0,0,0,0,0,0,3.295836866,1.238095238,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,3,0.5,3,0.666666667,0,0,0,0,0,0,0,0,0.6,0.095238095,0,0,0,0,0,0,0,0,0.695238095,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,0,109.6959078,3.584962501,3.218875825,3.80666249,4.634728988,5.252273428,6.084499413,6.708084084,7.5416831,8.166500319,9.000483165,65.41379081,2.397895273,0,3.663561646,0,5.081404365,0,6.532334292,0,7.989899375,8.256088134,84.09390038,4.671883355,10.46599026,1.74433171,0,0,0,28,3,3.166,24,1.219,2.121740888,2.976050395,3.459685345,4.07405775,0,0,0,0,0,72.30904117,95.24692031,69.16051878,15.4841909,4.139503414,0,0,0,0,0,274.3286679,370.6140945,410.285089,197.8143536,126.6369699,0,0,0,0,0,8.860546952,15.10169822,21.23438463,23.67453541,27.37141033,0,0,0,0,0,2.086978642,2.920995711,3.655414286,2.26010113,1.811378651,0,0,0,0,0,175.1912326,329.1418037,453.4979336,605.4450588,753.3651933,0,0,0,0,0,3.060529412,4.295449187,6.73112311,5.17692134,4.07405775,0,0,0,0,0,0.432999265,0.6112891,0.778667145,0.502763447,0.417183514,0,0,0,0,0,335.9896691,126.874683,10.67879275,105.8876095,-39.98473203,-6.701505292,230.1020596,166.859415,17.38029804,0.760368739,0.287126515,0.024166875,0.239631261,-0.090488319,-0.015165988,148.4662006,56.06303964,4.718715879,46.7893287,-17.66834457,-2.961242921,0.151369829,0.270458775,4.282873031,4.984260349,441.8772786,0,1,0,331.0578085,18.19499405,6.917799096,447.9391783,21.16457366,7.651378443,537.7963945,23.19043756,8.132160886,1.261634404,1.046346666,184.3227132,181.6081837,110.7545456,1.014947176,1.664245131,1.639735712,3.400819811,3.202420028,5.261876621,0.64309384,3.591793317,3.914899098,3.80939856,14.20215815,5.409798528,4.950629215,7.378137317,3.651959499,0.876159451,0.006350349,3.46E-24,3.76E-67,8.06E-132,3.41E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.301445031,3.914692083,0.165630573,6.998403852,2.05385036,0.254348843,0.33346884,0.11706845,0.006170864,4.47E-05,2.44E-26,2.65E-69,5.68E-134,2.40E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.973075264,3.914706317,0.636194058,8.148183727,2.342381706,0.920233596,1.263423184,0.502722304,0.06430515,4.66E-04,2.54E-25,2.76E-68,5.92E-133,2.50E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390360553,3.914876511,3.489678022,13.6477106,5.064085033,4.559569466,6.767149703,3.316728267,0.780642298,0.005658047,3.09E-24,3.35E-67,7.18E-132,3.04E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.434128364,3.914724408,1.040342024,9.032682145,2.658175287,1.46425907,2.052647167,0.867195101,0.139679376,0.001012387,5.52E-25,5.99E-68,1.29E-132,5.44E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.337608177,3.914993983,5.102920519,16.38382917,6.849080084,6.516128451,9.844405801,5.028089834,1.277796212,0.009261388,5.05E-24,5.48E-67,1.18E-131,4.98E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.896350131,2.406801239,1.27391149,9.556537797,3.807983562,2.127455247,3.040034627,1.315610492,0.210190693,0.001523449,8.31E-25,9.01E-68,1.93E-132,8.19E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.092492322,1.247639703,1.10663235,0.470565145,0.280572479,0.411198356,0.447884561,0.416315303,4.446764374,6.306974649,13.64279809,0.205847717,1.27539822,1.529798601,0.678356489,0.64229622,0.536686452,0.237982135,0.218891299,0.132806647,0.14024299,2.85045131,2.456038475,5.973031922,0.305029679,0.491940936,1.75143592,0.906302779,0.826716346,0.502642708,0.260098858,0.286712692,0.237244378,0.232340366,3.484455045,3.784527267,8.581254996,0.253964062,0.756297436,2.078374949,1.233732444,1.095136768,0.471581531,0.279932856,0.405533514,0.438076903,0.407710801,4.40724416,6.191369189,13.40671772,0.207372297,1.251321218,1.851010025,1.007127044,0.908919536,0.491367723,0.267351184,0.320453635,0.292823756,0.280843079,3.767056604,4.462018872,9.923485324,0.237051584,0.894120471,2.136751205,1.291118479,1.142621928,0.467510147,0.282490066,0.42925659,0.479196195,0.443834687,4.570491612,6.675558033,14.39831384,0.20126522,1.352287472,2.091935876,1.231624594,1.093033113,0.473653696,0.278863013,0.410665732,0.436737589,0.406145589,4.416593583,6.20924132,13.4420125,0.210480545,1.253548909 +UMLRON0100,L,"3,3-Dimethyl-1-Butene",CC(C)(C)C=C,11210,,"Sandia, UML",[1],C6H12,PubChem,,111.7,0,1.794,3.218436,38.243,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1725.25417,1819.067553,932.493074,215.393472,18.289152,0,0,3947.642614,5029.877407,7256.714489,9003.594936,7765.04691,3521.617762,559.5073998,0,0,181.25648,180.900988,339.488488,447.426756,626.264264,548.9856,120.932352,0,0,30.31423229,39.56609758,59.5007813,77.20431588,78.15030588,44.04082215,8.003032287,0,0,4342.872585,3643.766351,7595.322043,9791.308033,14936.58687,14596.78856,3328.517736,0,0,43.59027778,51.20833333,76.58333333,113.0833333,141,93,18,0,0,45.09238923,49.11105724,35.94279521,28.87408814,10.36103416,2.659178667,1.016064,0,0,151.8324082,201.1950963,151.1815518,142.9142053,86.278299,43.4767625,31.08374443,0,0,6.971403077,7.23603952,7.072676833,7.102012,6.958491822,6.7776,6.718464,0,0,1.165932011,1.582643903,1.23959961,1.225465331,0.868336732,0.543713854,0.444612905,0,0,167.033561,145.7506541,158.2358759,155.4175878,165.9620764,180.2072662,184.917652,0,0,1.676549145,2.048333333,1.595486111,1.794973545,1.566666667,1.148148148,1,0,0,0.034866384,-0.010133835,0.011691591,-0.011210056,-0.038740398,0.021336381,0.009623126,0,0,670.5194345,-58.02572029,196.2845353,-423.372848,-737.8579247,481.3985683,206.3136721,0,0,1246.859521,-107.9013047,364.999475,-787.2798896,-1372.078319,895.1811943,383.6490833,0,0,0.131350154,-0.01136684,0.038450793,-0.082935834,-0.144541302,0.094302675,0.040415432,0,0,5.574042193,-0.482369036,1.63171748,-3.51950741,-6.133828482,4.001876446,1.715089906,0,0,30.27828566,-2.620236259,8.863515246,-19.11802011,-33.31905366,21.73825637,9.316395587,0,0,4.000267094,-2.449776052,1.59566075,0.779801529,-4.537783531,1.626571746,0.985392012,0,0,0.001341015,-4.05E-04,2.44E-04,-1.78E-04,-4.30E-04,2.63E-04,5.35E-04,0,0,25.78920902,-2.321028812,4.089261152,-6.720203937,-8.198421385,5.943192202,11.46187067,0,0,47.95613541,-4.316052187,7.60415573,-12.49650618,-15.24531465,11.05161968,21.31383796,0,0,0.005051929,-4.55E-04,8.01E-04,-0.001316442,-0.001606014,0.001164231,0.002245302,0,0,0.214386238,-0.019294761,0.033994114,-0.055865197,-0.06815365,0.049405882,0.095282773,0,0,1.164549448,-0.10480945,0.184656568,-0.303460637,-0.370211707,0.268373535,0.517577533,0,0,0.153856427,-0.097991042,0.033242932,0.012377802,-0.050419817,0.020081133,0.054744001,0,0,-0.302273636,0.181634695,-0.132688618,-0.32098742,0.196427447,0.398666838,0,0,-0.09,0.158564815,-0.260582011,-0.317901235,0.230452675,0.444444444,0,0,-0.09,0.158564815,-0.260582011,-0.317901235,0.230452675,0.444444444,0,0,-0.09,0.158564815,-0.260582011,-0.317901235,0.230452675,0.444444444,0,0,-0.09,0.158564815,-0.260582011,-0.317901235,0.230452675,0.444444444,0,0,-0.09,0.158564815,-0.260582011,-0.317901235,0.230452675,0.444444444,0,0,-0.636899246,0.216064632,0.080450341,-0.327706928,0.130518647,0.355812245,0,0,1.839613515,0.813451866,1.335392317,1.371650036,0.399818906,2.34E-05,0,0,1.625,1.03443287,1.50462963,1.253858025,0.33436214,0,0,0,1.625,1.03443287,1.50462963,1.253858025,0.33436214,0,0,0,1.625,1.03443287,1.50462963,1.253858025,0.33436214,0,0,0,1.625,1.03443287,1.50462963,1.253858025,0.33436214,0,0,0,1.625,1.03443287,1.50462963,1.253858025,0.33436214,0,0,0,2.242905789,0.591323362,1.098430292,1.487169215,0.462932051,0,0,0,32.1365591,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,-3.55E-15,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,32.1365591,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,-3.55E-15,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,32.1365591,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,-3.55E-15,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,32.1365591,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,-3.55E-15,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,32.1365591,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,-3.55E-15,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,32.1365591,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,-3.55E-15,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,45.86205434,22.77937786,33.01612541,45.63458038,5.704322548,22.77937787,-0.303298611,0.00513957,6.42E-04,-4.216628627,32.5909734,4.073871675,2.787228288,0,11.89,12.11011416,-0.162354296,0.058720949,5.755742675,9.528253252,7,25,25,25,7,0,0,0,0,0,19.677726,3.622049278,3.017844806,2.716158568,2.333552793,2.333552793,1.741838948,1.305878985,0.391568215,1.964591417,1.618912912,1.450314259,1.249629723,1.249629723,0.835507992,0.506396866,0.083923071,3.643752304,3.060024786,2.770106129,2.405454588,2.405454588,1.830292954,1.405414736,0.510463099,1.911819164,1.535284781,1.352549382,1.134540686,1.134540686,0.70251216,0.363319011,0.270913902,3.741623954,3.24368199,3.000843817,2.704236987,2.704236987,2.193881938,1.809666382,0.961632677,1.761636631,1.279808803,1.045387453,0.76031856,0.76031856,0.261222531,0.116316794,0.943918427,3.659872133,3.091035019,2.809552763,2.457539916,2.457539916,1.894186476,1.477033546,0.594204588,1.878649112,1.481159244,1.288577317,1.058262671,1.058262671,0.613685355,0.26742727,0.399277246,3.790718189,3.331417547,3.108532056,2.838982085,2.838982085,2.355147861,1.986515781,1.207644823,1.716449518,1.197532556,0.943532502,0.631337262,0.631337262,0.10588789,0.287439435,1.141855713,3.608395979,3.147943432,2.91771574,2.607254599,2.607254599,1.965042481,1.512906426,0.613075668,1.917197079,1.408442197,1.166882854,0.903112587,0.903112587,0.511894579,0.192615678,0.568047337,0,0,0,0,0,5,1,1,1,0,0,0,0,0,0,0,0,0,0,1.33915195,0.204124145,0.696923425,0.204124145,1.33915195,0.204124145,0.696923425,0.204124145,2.937122946,1.632993162,0.40824829,2.937122946,1.632993162,0.40824829,6.78445705,3.504035845,3.496835125,2.474179755,0.40824829,0,0,0,0.848057131,0.500576549,0.349683512,0.274908862,0.204124145,0,0,0,6.78445705,3.504035845,3.496835125,2.474179755,0.40824829,0,0,0,0.848057131,0.500576549,0.349683512,0.274908862,0.204124145,0,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,41,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,5,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,11.44675926,0,1.282407407,0,0,0,0.8125,0,0,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.25,0,1.282407407,0,0,0,0.8125,0,0,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.31712963,0,1.282407407,0,0,0,0.8125,0,0,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.08333333,1.760416667,0.2,2.31712963,0,0.541666667,6.041141204,0.708333333,0.31712963,2.893518519,0.708333333,0.31712963,2.893518519,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.625,0.125,0.125,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.90646,1.23831,9.90646,0,0,3.50403,0.438,3.50403,0,0,0.40997,0.05125,0.40997,0.05125,0,7,0,0,0,0,0,0,1,0.89049164,1.36704393,2.215695144,3.093730583,2.91294444,2.266722945,23.15278265,35.54314217,57.60807374,80.43699516,75.73655544,58.93479657,0.189448582,0.290833201,0.471380398,0.658178972,0.619717434,0.482236361,3.809948078,3.333395788,2.484744574,1.606709135,1.787495278,2.433716773,0.191756937,0.294376887,0.477123979,0.66619862,0.627268443,0.488112218,6.648700044,12.36732752,16.43979251,17.32469861,15.15526489,7.400606951,31.72521615,23.58736256,18.78778503,18.85721203,17.77249518,12.18727095,8,2.52,2.222222222,8,0,5,2.34,1.2358,3.412787518,2.44179671,3.041821709,3.298769777,0,0.5,1,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.131,0.009,0.004,3.126,10,9,2,0,0,0,0,0,0,36,2.079441542,2.397895273,2.302585093,1.098612289,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,7,1,0,2,4,1,3.5,1.777777778,0.25,0,0,0,0,0,0,0,0.5,0.177777778,0.027777778,0,0,0,0,0,0,0,0.705555556,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,0,146.9243357,4,3.555348061,4.290459441,5.105945474,5.883322388,6.693323668,7.479299638,8.287780027,9.075779879,9.883743923,75.2550025,2.708050201,0,4.007333185,0,5.517452896,0,7.089243155,0,8.678461339,8.908829792,114.1408506,4.390032714,14.27167969,1.783959961,0,0,0,62,9,4.807,34,1.2278,2.115728773,2.94006452,3.495078547,3.960158296,5.352201744,0,0,0,0,71.2221278,87.331823,90.76614616,40.07092916,12.24973369,5.438179512,0,0,0,0,272.5498825,351.7650236,436.7934354,313.1323918,185.1399746,166.3664711,0,0,0,0,8.919363223,15.034845,20.91738018,24.34899754,26.90223475,35.95857474,0,0,0,0,2.081648384,2.816384767,3.703871043,3.107316383,2.256868643,2.379657965,0,0,0,0,176.77647,329.6995075,454.2860946,577.9659107,708.7214705,989.7165796,0,0,0,0,2.556545,3.529969946,5.379087259,5.544585645,4.701835477,5.352201744,0,0,0,0,0.4321989,0.591022767,0.783880527,0.675142421,0.50757499,0.548065459,0,0,0,0,361.8060994,156.7206893,8.626990043,122.9327786,-53.24982033,-7.258668605,238.8733209,209.9705096,15.88565865,0.746393813,0.32330951,0.01779719,0.253606187,-0.109852588,-0.014974389,175.3814827,75.96861108,4.181837474,59.59029715,-25.81225816,-3.518558875,0.069405412,0.149558028,1.037923558,7.506623699,484.738878,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,811.9535639,28.49479889,9.329185547,1.356712851,1.205835205,385.4692723,331.8864454,174.2415472,1.161449278,2.212269567,1.904749187,3.936296879,3.220218461,6.42424645,0.994972244,5.020209962,6.639714264,3.020041699,38.63538881,6.684528745,10.00785152,12.99570358,15.46305349,7.191345344,5.573905442,0.884220332,1.126710553,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327169,0.1713391,11.35274616,3.018364978,0.274203139,0.932381415,0.741530714,1.029052181,0.076364869,0.006228704,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639353744,0.607209483,15.32927936,3.285757868,1.257832565,2.816475944,2.720019041,1.522733019,0.504429204,0.064899514,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639672015,2.794133979,36.40181394,6.289944898,9.057060053,12.05261696,14.19867485,6.543754522,4.991800042,0.787825132,1.003878818,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.639387557,0.949655624,18.5318719,3.612118506,2.230938845,4.281553066,4.382974884,2.088528686,1.004374875,0.140967789,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.639891756,3.914964529,47.54495401,8.338680779,13.93117177,16.71981258,20.55679393,9.896033041,8.007983207,1.289548769,1.643201451,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.089828701,5.164751003,1.235249383,23.11181868,4.914117434,4.081148205,6.794334343,6.894160715,3.435649929,1.954321182,0.285322735,0.363564457,2.59E-15,3.56E-51,9.43E-109,4.82E-188,4.75E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.083265924,1.573102219,1.001985188,0.544905159,0.278014137,0.48053678,0.487599696,0.427589901,5.65835333,9.515904373,20.03417891,0.317357739,1.395726377,2.379156062,0.998022869,0.530265101,0.608877835,0.255415781,0.28582138,0.195520592,0.120825583,3.907444032,4.165252286,9.331785432,0.413316752,0.602167555,2.669323671,1.234971003,0.724803669,0.576640087,0.266784352,0.359942564,0.299817435,0.224854755,4.629098342,6.126384433,13.14482513,0.36496013,0.884614754,3.066858087,1.559697598,0.991004705,0.545941276,0.277646788,0.47542385,0.479280106,0.418346245,5.61756039,9.368309642,19.72621339,0.318911914,1.3730502,2.794081019,1.336868654,0.808380826,0.56568011,0.270657866,0.394448141,0.351573329,0.279260645,4.9393305,7.074699841,15.03359087,0.348520165,1.025282115,3.134319901,1.61481226,1.036148576,0.541774901,0.27912427,0.496621833,0.513950449,0.456987284,5.785280737,9.982144731,21.01172384,0.312662352,1.467559566,3.07439857,1.56374209,0.992437808,0.546018244,0.277723168,0.477846765,0.481975712,0.419390873,5.630578468,9.410632594,19.81242177,0.319027367,1.37921335 +UMLRON0101,L,"2,3,3-Trimethylpentane",CCC(C)(C)C(C)C,11215,,"Sandia, UML","[1], [9]",C8H18,PubChem,,106.1,0,2.375,5.640625,38.4044,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1674.79369,1752.435729,872.888018,192.10968,15.24096,0,0,3885.475125,4800.404174,6735.600534,8243.409388,6964.179256,3064.959957,466.2561665,0,0,167.819552,166.665724,297.581032,371.527812,523.890632,467.964864,100.77696,0,0,29.42500648,37.33900896,54.15737825,68.9689169,68.80538669,38.03653589,6.669193573,0,0,3973.037281,3337.521256,6612.996548,7916.189382,12290.00251,12409.57184,2773.76478,0,0,47.59027778,53.29166667,74.75,110.1666667,133.5,83,15,0,0,48.76541633,52.3287937,39.87604024,33.7006871,11.63850691,2.784198261,1.016064,0,0,161.8947969,208.713225,160.3714413,158.5271036,92.85572342,44.41970952,31.08374443,0,0,6.992481333,7.246335826,7.085262667,7.144765615,6.985208427,6.782099478,6.718464,0,0,1.226041937,1.623435172,1.289461387,1.326325325,0.917405156,0.551254143,0.444612905,0,0,165.54322,145.1096198,157.4522988,152.2344112,163.8667002,179.8488673,184.917652,0,0,1.982928241,2.317028986,1.779761905,2.118589744,1.78,1.202898551,1,0,0,0.044534898,-0.012179694,0.014776509,-0.013515574,-0.049483126,0.025075441,0.013058995,0,0,645.6853813,-53.80711511,242.132018,-430.4569209,-766.7513903,484.264036,201.7766817,0,0,1200.679538,-100.0566282,450.2548269,-800.4530256,-1425.806952,900.5096538,375.2123557,0,0,0.126485333,-0.010540444,0.047432,-0.084323556,-0.150201333,0.094864,0.039526667,0,0,5.367596186,-0.447299682,2.01284857,-3.578397457,-6.374020471,4.025697139,1.677373808,0,0,29.15686767,-2.429738973,10.93382538,-19.43791178,-34.62378036,21.86765075,9.111521147,0,0,6.464988426,-2.855625482,2.617115162,0.29923804,-6.988679109,2.262984664,1.432472512,0,0,0.001855621,-5.30E-04,3.52E-04,-2.60E-04,-6.60E-04,3.63E-04,8.71E-04,0,0,26.90355756,-2.339439787,5.765048048,-8.278017709,-10.22335187,7.018319362,13.45177878,0,0,50.0283141,-4.350288182,10.72035302,-15.39332741,-19.01075936,13.05086455,25.01415705,0,0,0.005270222,-4.58E-04,0.001129333,-0.001621607,-0.002002684,0.001374841,0.002635111,0,0,0.223649841,-0.019447812,0.047924966,-0.068815336,-0.08498694,0.058343437,0.111824921,0,0,1.214869486,-0.105640825,0.260329176,-0.373805996,-0.461650405,0.316922475,0.607434743,0,0,0.269374518,-0.12415763,0.062312266,0.005754578,-0.093182388,0.032796879,0.095498167,0,0,-0.28537722,0.189597818,-0.140068972,-0.355554881,0.195844001,0.469168953,0,0,-0.086956522,0.214285714,-0.307692308,-0.38,0.260869565,0.5,0,0,-0.086956522,0.214285714,-0.307692308,-0.38,0.260869565,0.5,0,0,-0.086956522,0.214285714,-0.307692308,-0.38,0.260869565,0.5,0,0,-0.086956522,0.214285714,-0.307692308,-0.38,0.260869565,0.5,0,0,-0.086956522,0.214285714,-0.307692308,-0.38,0.260869565,0.5,0,0,-0.460910819,0.23132205,0.02136274,-0.345921318,0.121751974,0.354518194,0,0,1.615495975,0.752439869,1.325485718,1.394606186,0.467223826,0.098796855,0,0,1.5,0.924107143,1.534254808,1.3225,0.34375,0,0,0,1.5,0.924107143,1.534254808,1.3225,0.34375,0,0,0,1.5,0.924107143,1.534254808,1.3225,0.34375,0,0,0,1.5,0.924107143,1.534254808,1.3225,0.34375,0,0,0,1.5,0.924107143,1.534254808,1.3225,0.34375,0,0,0,1.856151815,0.483232204,1.168770808,1.555472407,0.515597726,0,0,0,30.32933295,15.16466648,21.27905626,30.32933295,3.791166619,15.16466725,-1.95E-14,0.095880957,0.01198512,-1.87571831,54.6898028,6.83622535,3.201341817,30.32933295,15.16466648,21.27905626,30.32933295,3.791166619,15.16466725,-1.95E-14,0.095880957,0.01198512,-1.87571831,54.6898028,6.83622535,3.201341817,30.32933295,15.16466648,21.27905626,30.32933295,3.791166619,15.16466725,-1.95E-14,0.095880957,0.01198512,-1.87571831,54.6898028,6.83622535,3.201341817,30.32933295,15.16466648,21.27905626,30.32933295,3.791166619,15.16466725,-1.95E-14,0.095880957,0.01198512,-1.87571831,54.6898028,6.83622535,3.201341817,30.32933295,15.16466648,21.27905626,30.32933295,3.791166619,15.16466725,-1.95E-14,0.095880957,0.01198512,-1.87571831,54.6898028,6.83622535,3.201341817,30.32933295,15.16466648,21.27905626,30.32933295,3.791166619,15.16466725,-1.95E-14,0.095880957,0.01198512,-1.87571831,54.6898028,6.83622535,3.201341817,47.05147813,23.28615573,33.8090102,46.69210313,5.836512891,23.28615573,-0.479166667,0.160499932,0.020062492,-1.463569407,124.7979124,15.59973905,3.861356583,0,11.89,12.11011416,-0.169851788,0.052379707,5.800930724,9.709003039,7,23,22,22,6,1,1,0,0,1,17.491312,3.645890372,3.040077456,2.715907337,2.333552793,2.225611078,1.727395753,0.934953528,0.083923071,1.946196959,1.585881726,1.442678078,1.249629723,1.113330782,0.829074135,0.046941509,0.083923071,3.663852035,3.076401434,2.769122508,2.405454588,2.294554824,1.816619538,1.026966315,0.270913902,1.897662984,1.506650492,1.345612098,1.134540686,1.001144093,0.695337729,0.153460251,0.270913902,3.746648659,3.238239553,2.997091621,2.704236987,2.582868395,2.183230991,1.391000114,0.943918427,1.763946484,1.270762782,1.041166676,0.76031856,0.637231996,0.251088939,0.544709677,0.943918427,3.677285267,3.103308984,2.808054168,2.457539916,2.344619846,1.881064997,1.092733933,0.399277246,1.8675531,1.455866064,1.282137378,1.058262671,0.926845423,0.605977503,0.227698502,0.399277246,3.789305397,3.317599837,3.103681468,2.838982085,2.713579917,2.345708109,1.543068513,1.207644823,1.725067164,1.197016819,0.940413783,0.631337262,0.512299954,0.094537668,0.694616262,1.207644823,3.659820782,3.17422618,2.847719536,2.534061497,2.529754755,1.891306762,1.076165197,0.518918919,1.931807051,1.391654029,1.218016018,0.972997998,0.730298594,0.558993282,0.204225777,0.518918919,0,0,1,0,1,4,1,0,1,0,0,0,0,0,0,0,0,0,0,1.33915195,0.204124145,0.696923425,0.204124145,1.133883476,0.176776695,0.426776695,0.125,2.937122946,1.632993162,0.40824829,2.215990258,1.207106781,0.25,6.78445705,3.504035845,3.496835125,2.474179755,0.40824829,0,0,0,0.848057131,0.500576549,0.349683512,0.274908862,0.204124145,0,0,0,6.414213562,3.164213562,3.017766953,2.039213562,0.301776695,0,0,0,0.801776695,0.452030509,0.301776695,0.226579285,0.150888348,0,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,41,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,4,1,0,1,0,0,0,0,0,0,0,0,4,1,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.175416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337569444,0,0,0,0.955833333,0.290277778,0,0.337569444,0,0,0,0,0,0,0,0,8.711157407,3.897638889,1.18287037,0,0,0,0,0,0,1.277777778,0,0,0.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.277777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337569444,0,0,0,0.225625,0.290277778,0,0.337569444,0,0,0,0,0,0,0,0,2.086805556,3.897638889,1.18287037,0,0,0,0,0,0,1.277777778,0,0,0.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.897638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337569444,0,0,0,0.243402778,0.290277778,0,0.337569444,0,0,0,0,0,0,0,0,2.217592593,3.897638889,1.18287037,0,0,0,0,0,0,1.277777778,0,0,0.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.41666667,1.927083333,0.337569444,3.897638889,0.026041667,0.347222222,5.477715463,0.902777778,0.897638889,3.217592593,0.902777778,0.897638889,3.217592593,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.625,0.125,0.125,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,8.36855,1.04607,9.90646,1.53791,0.19224,2.98968,0.37371,3.50403,0.51435,0.06429,0.40997,0.05125,0.40997,0.05125,0,7,0,0,0,0,0,0,0.75,0.918295834,2.082551817,2.948120313,3.29248125,3.101441146,2.420614063,22.03910002,49.98124361,70.7548875,79.01955001,74.43458751,58.09473751,0.200284263,0.45421349,0.642997693,0.718104292,0.676437625,0.527946316,3.666666667,2.502410684,1.636842188,1.29248125,1.483521355,2.164348438,0.200284263,0.45421349,0.642997693,0.718104292,0.676437625,0.527946316,6.73287657,16.72064472,18.85474488,19.20180045,16.9093192,8.739394199,31.59900002,19.42915877,17.55814531,16.90739375,15.76115313,9.883709376,8,2.52,2.222222222,8,2,5,2.34,1.1928,3.412787518,2.44179671,3.041821709,3.298769777,0,0.5,1,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.155,0.135,0.064,0.154,3.224,10,9,2,0,0,0,0,0,0,36,2.197224577,2.564949357,2.564949357,1.386294361,0,0,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,2,4,1,3.5,1.777777778,0.25,0,0,0,0,0,0,0,0.5,0.177777778,0.027777778,0,0,0,0,0,0,0,0.705555556,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,0,144.287877,4,3.555348061,4.290459441,5.105945474,5.883322388,6.693323668,7.479299638,8.287780027,9.075779879,9.883743923,75.2550025,2.708050201,0,4.007333185,0,5.517452896,0,7.089243155,0,8.678461339,8.908829792,112.1252005,4.671883355,14.27167969,1.783959961,0,0,0,62,9,3.797,34,1.226391304,2.122900714,2.986940732,3.557287548,4.014366793,5.488026661,0,0,0,0,74.73814722,97.10565861,107.1570335,45.63114632,13.04998903,5.576186321,0,0,0,0,280.6431588,375.1157751,490.7501334,342.4052007,192.4453889,170.5884182,0,0,0,0,8.920641989,15.11622491,21.37477234,24.87583854,27.2932516,36.87110955,0,0,0,0,2.124868553,2.946208097,4.062875384,3.337299696,2.32591414,2.440047476,0,0,0,0,175.8569114,328.9219057,452.3638573,580.94681,716.6093511,1014.833004,0,0,0,0,2.89088587,3.986875028,6.469793595,6.432028904,5.027815032,5.488026661,0,0,0,0,0.4404825,0.616181095,0.855965561,0.722676917,0.522370913,0.56197393,0,0,0,0,348.9531894,158.8521896,9.705028282,133.9083579,-60.95842224,-8.483925925,215.0448315,219.8106118,18.18895421,0.722677528,0.328980824,0.020098988,0.277322472,-0.126244102,-0.017570101,168.496077,76.70361406,4.686184973,64.6591969,-29.43447808,-4.0965616,0.117411716,0.217912793,2.779204782,4.961617959,482.8615473,0,1,0,457.3961477,21.38682182,7.704849633,612.8133496,24.75506715,8.493944243,832.2610619,28.84893519,9.406322372,1.310033407,1.307020727,381.1547756,327.4634165,168.4330712,1.163961397,2.262944996,1.944175299,3.932935908,3.477616438,6.454645435,0.856054442,4.625737202,5.862564001,5.322425394,23.60146056,4.574061019,12.1642818,16.33505772,9.716878806,6.08715318,1.660041817,0.11409806,1.628283808,2.42E-13,6.96E-48,3.86E-104,4.12E-182,8.49E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0.388216777,5.862268085,0.211286176,10.00384991,2.944448323,2.568149857,1.004465443,0.430300725,0.965888836,0.023785442,8.35E-04,0.011468136,1.71E-15,4.90E-50,2.72E-106,2.90E-184,5.98E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,1.253185036,5.862288441,0.83716146,12.07653784,3.075245802,4.04123587,3.215753356,1.641452381,1.430483802,0.152908554,0.008454788,0.119506819,1.78E-14,5.11E-49,2.83E-105,3.02E-183,6.23E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,4.366319238,5.862531718,4.861856736,22.52037094,4.402892562,11.40499276,15.07176733,8.906230043,5.568177887,1.487394554,0.101680928,1.450771558,2.16E-13,6.20E-48,3.44E-104,3.67E-182,7.57E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,1.84695863,5.862314305,1.390745027,13.70807106,3.224965005,5.196674384,5.00631019,2.676093511,1.921854614,0.30237817,0.018287696,0.25958478,3.87E-14,1.11E-48,6.15E-105,6.57E-183,1.35E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,5.586245157,5.862699617,7.195370179,27.88657637,5.288895487,15.17067686,21.38119689,12.99326799,8.241964001,2.381568909,0.166298926,2.374698905,3.54E-13,1.02E-47,5.63E-104,6.01E-182,1.24E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,2.610296131,4.0739198,1.75552103,14.44297763,3.625608274,7.763409235,7.345646388,3.726809192,2.591791539,0.489369501,0.030833896,0.438459126,6.53E-14,1.87E-48,1.04E-104,1.11E-182,2.29E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,3.222750447,1.57201969,0.968489718,0.559188815,0.272765714,0.467620538,0.444066256,0.404056709,5.763259854,9.709912734,20.3797615,0.338783222,1.315743502,2.418661936,0.997774255,0.511587963,0.615745179,0.254014287,0.267585352,0.190442795,0.112743821,3.928024154,4.161086243,9.323714685,0.423617769,0.570771968,2.736652427,1.227213222,0.693054555,0.587652849,0.26352464,0.339868257,0.280641802,0.206912652,4.656920204,6.105631187,13.09014465,0.381479274,0.827422711,3.202716834,1.557929633,0.957178122,0.560128557,0.272468945,0.461938568,0.43675302,0.394673364,5.717824589,9.546394107,20.0401618,0.340192835,1.293364952,2.879011048,1.328866463,0.773941664,0.577903562,0.266743215,0.375106414,0.325414265,0.2580291,4.981819175,7.082472951,15.02525457,0.366855344,0.958549779,3.2855056,1.616096636,1.003903303,0.556346206,0.273659321,0.485652887,0.467287315,0.434146264,5.905505539,10.23042922,21.46635465,0.334519309,1.387086466,3.207133426,1.566052614,0.956960371,0.559694848,0.273300628,0.463689719,0.443794757,0.3944938,5.730146411,9.590289568,20.12680742,0.339542272,1.301978275 +UMLRON0102,L,"2,3,3-Trimethyl-1-Pentene",CCC(C)(C)C(=C)C,11216,,"Sandia, UML",[1],C8H16,PubChem,,106,0,1.528,2.334784,34.3257,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1410.479624,1313.632662,593.499481,121.4136,9.144576,0,0,3461.958223,4376.887272,6118.039963,7044.624533,5474.660402,2180.439431,279.7536999,0,0,160.279036,159.125208,296.735264,382.099416,498.123172,365.192064,60.466176,0,0,26.63610648,34.55010896,50.80666687,62.15635002,57.10008402,28.02268529,4.001516144,0,0,3846.242925,3210.7269,6665.652931,8492.189678,12174.9141,9794.782583,1664.258868,0,0,38.0625,44.75,66.75,93.5,106,60,9,0,0,44.61329874,48.14991518,33.58284819,24.32653078,8.243048347,2.2484,1.016064,0,0,150.5199227,198.9494215,145.6676182,130.4560099,76.03695003,40.37850798,31.08374443,0,0,6.968653739,7.232964,7.065125333,7.075915111,6.918377389,6.762816,6.718464,0,0,1.158091586,1.570459498,1.209682544,1.151043519,0.793056722,0.518938617,0.444612905,0,0,167.2279533,145.9421318,158.7060222,157.2627718,169.0960292,181.3848627,184.917652,0,0,1.654891304,2.034090909,1.589285714,1.731481481,1.472222222,1.111111111,1,0,0,0.031306772,-0.008413449,0.008081882,-0.016402808,-0.021579506,0.017901895,0.004758601,0,0,589.5388264,-58.58770946,113.0559706,-436.6615221,-397.9844795,384.4818433,100.9264839,0,0,1096.272622,-108.9463475,210.232405,-811.9907464,-740.0691342,714.9604056,187.6771065,0,0,0.115486609,-0.01147693,0.022146888,-0.085538994,-0.077962427,0.075317353,0.019770805,0,0,4.900848691,-0.487040864,0.939836667,-3.629976438,-3.308453367,3.196205668,0.839003988,0,0,26.62148787,-2.645613702,5.10520769,-19.71808962,-17.9715712,17.36183992,4.557482978,0,0,3.364130435,-1.89721172,1.144848771,-0.061436673,-2.781190926,1.44399811,0.468927221,0,0,0.001361164,-3.82E-04,1.92E-04,-3.04E-04,-3.00E-04,3.32E-04,5.29E-04,0,0,25.63212289,-2.663077703,2.691808824,-8.086324483,-5.527562215,7.120034136,11.21405376,0,0,47.66402704,-4.952106706,5.005533452,-15.03686567,-10.27873797,13.24000751,20.85301183,0,0,0.005021157,-5.22E-04,5.27E-04,-0.001584055,-0.001082811,0.001394766,0.002196756,0,0,0.213080378,-0.022138221,0.022377063,-0.067221786,-0.045950741,0.059188994,0.093222665,0,0,1.157455995,-0.120255168,0.121552564,-0.365149808,-0.249605156,0.321515554,0.506386998,0,0,0.146266541,-0.086236896,0.027258304,-0.001137716,-0.038627652,0.026740706,0.052103025,0,0,-0.280957707,0.141368531,-0.223158782,-0.220190485,0.243553729,0.388442115,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.589587311,0.186360489,-0.007778376,-0.264090827,0.182821756,0.356219709,0,0,1.820571573,0.87386498,1.385409186,1.182266495,0.302033566,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,2.192245557,0.642280175,1.142912703,1.339705618,0.363309998,0,0,0,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,35.39635054,17.5815086,25.27166631,35.22968387,5.032811982,17.58150865,-0.233333333,1.22E-15,1.74E-16,-24.03723371,4000004.07,571429.1528,10.64126416,0,11.89,12.11009426,-0.167985522,0.052561797,5.591467234,8.899502724,6,22,22,22,6,0,0,0,0,0,17.491312,3.574978343,2.902564078,2.685171409,2.333552793,1.799662052,1.598026915,0.443021474,0.083923071,1.942186947,1.563026335,1.43543247,1.249629723,0.873444649,0.769718516,0.083923071,0.083923071,3.598605629,2.950308951,2.74069663,2.405454588,1.886405282,1.695309721,0.55220905,0.270913902,1.886429748,1.473453684,1.336134217,1.134540686,0.74261092,0.630337185,0.270913902,0.270913902,3.704581195,3.155598408,2.977445718,2.704236987,2.243010376,2.090117344,0.964952634,0.943918427,1.726127666,1.195492746,1.023013433,0.76031856,0.309093543,0.162386152,0.943918427,0.943918427,3.616126269,2.985267979,2.781255866,2.457539916,1.949059228,1.765276817,0.628971729,0.399277246,1.85123465,1.415133181,1.271070023,1.058262671,0.655276683,0.536857124,0.399277246,0.399277246,3.757360594,3.252217518,3.087536905,2.838982085,2.401293357,2.26277616,1.207644823,1.207644823,1.677416459,1.104407163,0.918752736,0.631337262,0.156681707,0.004703131,1.129594515,1.207644823,3.577637728,3.061422362,2.899211901,2.612600818,2.030943263,1.838196629,0.625239344,0.571428571,1.875379131,1.325313653,1.140967173,0.898315104,0.545257359,0.431448195,0.571428571,0.571428571,0,0,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,0,0,1.207106781,0.25,0,0,1.207106781,0.25,0,0,1.707106781,1,0,1.707106781,1,0,5.914213562,3.121320344,2.871320344,1.914213562,0.25,0,0,0,0.844887652,0.520220057,0.358915043,0.319035594,0.25,0,0,0,5.914213562,3.121320344,2.871320344,1.914213562,0.25,0,0,0,0.844887652,0.520220057,0.358915043,0.319035594,0.25,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,34,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,9.076388889,0,2.590277778,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.239583333,0,1.295138889,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.298611111,0,1.295138889,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.25,1.75,0.2,2.298611111,0,0.583333333,5.312430556,0.666666667,0.298611111,2.152777778,0.666666667,0.298611111,2.152777778,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.57143,0,0.14286,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.84027,1.12004,7.84027,0,0,3.12132,0.4459,3.12132,0,0,0.29268,0.04181,0.29268,0.04181,0,6,0,0,0,0,0,0,1,0.886540893,1.306170652,2.044451086,2.566190217,2.36951361,1.756720226,20.39044053,30.04192499,47.02237498,59.02237498,54.49881302,40.4045652,0.195982923,0.288748262,0.451956026,0.567294146,0.523815885,0.388348882,3.637021063,3.217391304,2.47911087,1.95737174,2.154048346,2.76684173,0.19880132,0.292900702,0.45845553,0.575452308,0.531348793,0.393933662,6.634953582,11.67051069,14.32625079,14.85207255,12.49195327,5.138432664,27.76507516,21.21742031,19.84231067,20.03452107,18.85446143,11.50094083,7,2.34375,2.666666667,7,0,5,2.23,1.0949,2.039648903,4.298279727,0,2.828427125,0.5,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,2.855,8,6,1,0,0,0,0,0,0,28,1.945910149,2.197224577,1.945910149,0.693147181,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,3,1.111111111,0.125,0,0,0,0,0,0,0,0.5,0.138888889,0.020833333,0,0,0,0,0,0,0,0.659722222,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,0,129.6283511,3.807354922,3.36729583,4.043051268,4.844187086,5.549076085,6.354370041,7.063903961,7.870547845,8.580918882,9.387900612,70.06125161,2.564949357,0,3.80666249,0,5.262690189,0,6.767343125,0,8.282230063,8.532278829,100.1252005,4.353269587,12.44270382,1.777529117,0,0,0,44,6,4.299,28,1.224818182,2.110039005,2.924159227,3.474757511,3.952964644,5.71185753,0,0,0,0,69.72220731,81.39693149,76.11385697,31.90081193,10.61486373,5.803612809,0,0,0,0,268.787596,337.4239973,396.2765835,274.4580573,172.6406646,177.5459197,0,0,0,0,8.893455721,14.97568724,20.72699372,24.06670898,26.79532824,38.37490919,0,0,0,0,2.059771149,2.735845826,3.457950507,2.821098814,2.155507404,2.539565568,0,0,0,0,176.6115071,329.9879212,457.2457905,585.5682262,712.0570339,1056.223283,0,0,0,0,2.538829545,3.501396601,5.152654435,5.169126467,4.547896064,5.71185753,0,0,0,0,0.427911136,0.575376064,0.73538305,0.616797951,0.486646143,0.584894211,0,0,0,0,351.2538824,135.6087776,8.422640101,123.6246489,-47.72783548,-7.249936546,227.6292335,183.336613,15.67257665,0.739671009,0.285565189,0.01773641,0.260328991,-0.100505355,-0.015266928,166.8029278,64.39769712,3.999730961,58.7066917,-22.66492441,-3.442839219,0.06936215,0.167822642,1.367179659,8.42336208,474.8785313,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,651.8861034,25.53206031,8.670761509,1.600376192,1.20582466,301.9411244,301.0866254,117.3617398,1.00283805,2.572738994,2.565458095,3.7171057,3.220194404,6.42424645,0.994987148,4.462408855,5.691187203,2.528752837,30.60273147,5.933777466,9.998374675,9.367718843,8.391585578,4.005473465,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851897,0.149881511,8.932443656,2.023351974,0.331592865,0.652671376,0.333439406,0.957409077,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690874933,0.524912857,11.8618731,2.301177387,1.404778953,1.996587945,1.320719156,1.162491535,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691150612,2.344012169,28.7475861,5.510292301,9.088187436,8.680297607,7.665648812,3.67131965,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690904229,0.815183813,14.31641578,2.64640617,2.408719208,3.048308136,2.193698832,1.4271176,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691340921,3.257168424,38.07157851,7.710774744,13.72990057,12.08766339,11.34352843,5.410230557,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.732087054,4.568276431,1.078605138,18.19740676,3.907136712,4.373030767,4.932270683,3.322899843,2.227401361,1.559038414,0.053081045,0.367905486,2.62E-15,3.60E-51,9.54E-109,4.88E-188,4.81E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.143134216,1.083373056,1.042643022,0.596516334,0.205606786,0.457022849,0.472182242,0.451937121,5.269150294,7.811925237,16.63146991,0.394774501,1.381142212,2.425158869,0.590249567,0.584676146,0.673639414,0.163954361,0.272077387,0.140160268,0.142114195,3.600084582,3.194486356,7.631505007,0.510459121,0.55435185,2.722543607,0.794500869,0.774365612,0.634417022,0.185137485,0.342895472,0.253946564,0.24928655,4.291410088,4.88654156,10.85295345,0.451625533,0.846128586,3.12654359,1.071978198,1.032060545,0.597742926,0.204944331,0.452210911,0.462301704,0.442809658,5.230582334,7.684715251,16.37433784,0.396614389,1.357322272,2.849753172,0.881871591,0.855507349,0.621249422,0.192249006,0.375687333,0.312870267,0.304266557,4.587132112,5.705548772,12.4426704,0.431874133,0.992824157,3.194714628,1.118799778,1.07554404,0.59281499,0.207605798,0.472145876,0.503568241,0.480909248,5.389058445,8.213620724,17.44693817,0.389222485,1.456623365,3.134797151,1.075002078,1.032151288,0.598021126,0.205076731,0.454601587,0.464913542,0.442887528,5.241950518,7.71506315,16.43527418,0.397031689,1.362402657 +UMLRON0103,L,"3,3-dimethylpentane",CCC(C)(C)CC,11229,,UML,[1],C7H16,UML,,80.8,0,1.0468,1.09579024,37.6509,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1604.188161,1510.389391,1032.388228,451.262617,103.124448,9.144576,0,3947.642614,5029.877407,7031.587075,8051.422878,6931.713574,4191.072239,1620.932031,279.7536999,0,181.25648,180.900988,339.464772,444.984316,561.055504,432.86698,244.259712,60.466176,0,30.31423229,39.56609758,58.49435701,71.17787888,68.13446145,45.07139101,20.01965301,4.001516144,0,4342.872585,3643.766351,7589.85513,9971.144834,13664.80308,10892.19649,6466.264847,1664.258868,0,42.3125,50,76.125,104.5,116.25,85,42,9,0,45.09238923,49.11105724,33.42058669,23.97443478,12.74553368,7.162898683,2.864568,1.016064,0,151.8324082,201.1950963,146.4913974,127.8003631,85.57671079,66.52495618,45.02588975,31.08374443,0,6.971403077,7.23603952,7.07218275,7.063243111,6.92661116,6.870904444,6.784992,6.718464,0,1.165932011,1.582643903,1.218632438,1.129807601,0.841166191,0.715418905,0.556101472,0.444612905,0,167.033561,145.7506541,158.1219819,158.2721402,168.7012726,172.8920077,179.618468,184.917652,0,1.627403846,2,1.5859375,1.658730159,1.435185185,1.349206349,1.166666667,1,0,0.035569321,-0.008387702,0.005351302,-0.018918608,-0.004894836,-0.003758765,0.008068758,0.004755191,0,670.5194345,-58.02572029,75.2185263,-441.9983879,-151.8697864,-50.86205112,189.1208661,103.1568361,0,1246.859521,-107.9013047,139.8720616,-821.9148763,-282.408353,-94.58015594,351.6783263,191.8245416,0,0.131350154,-0.01136684,0.014734793,-0.08658445,-0.029750249,-0.009963527,0.037047479,0.020207716,0,5.574042193,-0.482369036,0.625293195,-3.674341916,-1.262496736,-0.422817303,1.572165747,0.857544953,0,30.27828566,-2.620236259,3.396602558,-19.9590836,-6.857902307,-2.296750301,8.540029288,4.658197794,0,3.540865385,-1.86381287,1.164940828,-1.21200074,-0.170580621,-0.562962278,0.433801775,0.440181213,0,0.001368051,-3.36E-04,1.11E-04,-3.00E-04,-6.04E-05,-5.97E-05,2.24E-04,5.28E-04,0,25.78920902,-2.321028812,1.567052631,-7.015847427,-1.874935635,-0.807334145,5.253357393,11.46187067,0,47.95613541,-4.316052187,2.914001283,-13.04626788,-3.486522876,-1.501272317,9.768842398,21.31383796,0,0.005051929,-4.55E-04,3.07E-04,-0.001374356,-3.67E-04,-1.58E-04,0.001029097,0.002245302,0,0.214386238,-0.019294761,0.013026942,-0.058322888,-0.015586379,-0.006711386,0.043671271,0.095282773,0,1.164549448,-0.10480945,0.070762553,-0.316810851,-0.084665461,-0.036456354,0.237223036,0.517577533,0,0.13618713,-0.074552515,0.024269601,-0.019238107,-0.002105934,-0.008935909,0.012050049,0.048909024,0,-0.24524533,0.081492186,-0.219506007,-0.044172391,-0.043611641,0.163833228,0.386209736,0,-0.09,0.060763889,-0.272045855,-0.072702332,-0.031305115,0.203703704,0.444444444,0,-0.09,0.060763889,-0.272045855,-0.072702332,-0.031305115,0.203703704,0.444444444,0,-0.09,0.060763889,-0.272045855,-0.072702332,-0.031305115,0.203703704,0.444444444,0,-0.09,0.060763889,-0.272045855,-0.072702332,-0.031305115,0.203703704,0.444444444,0,-0.09,0.060763889,-0.272045855,-0.072702332,-0.031305115,0.203703704,0.444444444,0,-0.54742702,0.178207739,-0.141262298,-0.015463529,-0.065614931,0.088481557,0.359131025,0,1.782026413,0.959069723,1.340458992,0.968495063,0.875063827,0.455220955,9.54E-08,0,1.625,1.128472222,1.4329806,0.947359396,0.78813933,0.376157407,0,0,1.625,1.128472222,1.4329806,0.947359396,0.78813933,0.376157407,0,0,1.625,1.128472222,1.4329806,0.947359396,0.78813933,0.376157407,0,0,1.625,1.128472222,1.4329806,0.947359396,0.78813933,0.376157407,0,0,1.625,1.128472222,1.4329806,0.947359396,0.78813933,0.376157407,0,0,2.153428377,0.66191446,1.253785062,0.956098665,0.980614015,0.588368409,0,0,34.88529179,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,3.55E-15,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,34.88529179,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,3.55E-15,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,34.88529179,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,3.55E-15,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,34.88529179,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,3.55E-15,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,34.88529179,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,3.55E-15,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,34.88529179,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,3.55E-15,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,46.03281978,22.89140989,34.0458998,45.84531978,5.730664972,22.89140989,-0.25,0.091751915,0.011468989,-1.910933534,28.83623546,3.604529433,2.689306218,0,11.89,12.11011416,-0.167981532,0.052587228,5.362774882,9.213878134,7,25,25,25,7,0,0,0,0,0,19.677726,3.592735029,3.086849513,2.756611834,2.333552793,2.213410816,1.709776605,1.375415873,0.442430979,1.953664966,1.664255355,1.472941768,1.249629723,1.119681942,0.823029543,0.640118652,0.083923071,3.615998295,3.127435347,2.809002604,2.405454588,2.283163201,1.800433516,1.482790418,0.551903442,1.898878759,1.583752372,1.37707963,1.134540686,1.004432886,0.688455069,0.492644697,0.270913902,3.720224799,3.303771657,3.033454115,2.704236987,2.576236407,2.171881072,1.91400556,0.964952489,1.74139921,1.338428158,1.076868084,0.76031856,0.63171527,0.240466992,0.007862175,0.943918427,3.633241807,3.157244993,2.847328656,2.457539916,2.333901006,1.865848576,1.55975151,0.628798321,1.864303608,1.531713381,1.314432572,1.058262671,0.928178217,0.598468841,0.393354778,0.399277246,3.772086944,3.387940121,3.138462928,2.838982085,2.709729176,2.336024862,2.100280206,1.207644823,1.693522867,1.259495599,0.97763897,0.631337262,0.504315529,0.082162571,0.188878372,1.129601866,3.598210766,3.21026742,2.967836281,2.629038207,2.422780943,1.95342479,1.640467926,0.636613716,1.885844955,1.463965394,1.182144151,0.883583662,0.811679728,0.480010394,0.278684493,0.581818182,0,0,0,0,0,4,3,0,1,0,0,0,0,0,0,0,0,0,0,1.207106781,0.25,0,0,1.207106781,0.25,0,0,1.457106781,1.383883476,0.530330086,1.457106781,1.383883476,0.530330086,6.621320344,3.621320344,3.267766953,1.883883476,0.853553391,0.176776695,0,0,0.827665043,0.517331478,0.363085217,0.269126211,0.213388348,0.176776695,0,0,6.621320344,3.621320344,3.267766953,1.883883476,0.853553391,0.176776695,0,0,0.827665043,0.517331478,0.363085217,0.269126211,0.213388348,0.176776695,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,52,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,9.166736111,0,3.99125,0,0,0,0,0,0,0,0,0,0.592013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.247430556,0,1.306388889,0,0,0,0,0,0,0,0,0,0.592013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.329861111,0,1.364583333,0,0,0,0,0,0,0,0,0,0.592013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.75,1.71875,0.2,2.329861111,0,0.592013889,6.028855903,0.657986111,0.329861111,2.333472222,0.657986111,0.329861111,2.333472222,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0,0.125,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.32652,1.16582,9.32652,0,0,3.62132,0.45267,3.62132,0,0,0.29268,0.03658,0.29268,0.03658,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.295465679,3.122764718,3.089889603,2.651394241,23.15278265,34.39789514,59.68210766,81.19188266,80.33712969,68.93625025,0.189448582,0.281462171,0.488351264,0.66435587,0.657361819,0.564073661,3.809948078,3.377443751,2.404974039,1.577675,1.610550115,2.049045478,0.191756937,0.284891675,0.494301629,0.67245078,0.66537151,0.570946673,6.648700044,11.83875197,16.52018726,17.35395994,16.47527565,11.2133313,31.72521615,24.13720728,20.27759842,18.73658831,19.84998921,19.57347203,8,3.111111111,3.673469388,8,0,6,2.34,1.2358,1.785490327,5.421612022,0,2.555772417,1.650963624,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,3.354,9,7,4,1,0,0,0,0,0,36,2.079441542,2.302585093,2.079441542,1.609437912,0.693147181,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,3,1.111111111,0.375,0.08,0,0,0,0,0,0,0.428571429,0.12345679,0.053571429,0.02,0,0,0,0,0,0,0.625599647,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,0,146.9243357,4,3.496507561,4.17438727,4.990432587,5.693732139,6.517671273,7.22620901,8.0522965,8.762019954,9.588708312,73.50196461,2.708050201,0,3.931825633,0,5.361292166,0,6.86171134,0,8.385944905,8.634620608,114.1408506,4.390032714,14.4310606,1.803882575,0,0,0,67,7,4.868,32,1.2278,2.116401194,2.917531399,3.491129613,4.149725442,5.420669812,7.058444873,0,0,0,71.2221278,80.92015264,76.29176851,52.86276742,37.58045585,17.83798898,7.171831732,0,0,0,272.5498825,339.0696678,390.7909616,322.7997952,312.058416,261.4942538,219.4028965,0,0,0,8.919363223,15.03311663,20.64708401,24.23676534,28.64862666,36.86234266,47.42190778,0,0,0,2.081648384,2.75612872,3.405086826,3.083789335,3.229816643,3.153771913,3.138275679,0,0,0,176.77647,329.9402209,458.9097368,584.989305,706.8494808,967.0299128,1305.231053,0,0,0,2.5048,3.49530159,4.923972327,5.122008879,5.914627085,6.532401382,7.058444873,0,0,0,0.4321989,0.579781655,0.724221853,0.667471141,0.707580875,0.708050853,0.722784755,0,0,0,385.5651793,169.3003361,9.283955754,140.6069207,-61.74001235,-8.543909181,244.9582586,231.0403485,17.82786493,0.732773895,0.321758482,0.017644333,0.267226105,-0.117338058,-0.016237861,202.8736401,89.08111338,4.884958495,73.98343872,-32.48587195,-4.495566635,0.061568605,0.148621911,1.133203682,9.675094495,526.1721,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,772.0437614,27.78567547,9.173758561,1.89259598,1.526290971,493.3778267,488.9192699,126.0040284,1.009119209,3.91557185,3.88018761,4.145079663,4.466158665,7.63628977,0.709811572,5.020209962,6.639754612,2.91785385,30.11556552,7.085473679,10.99112304,10.33499562,9.304931721,7.936189053,3.69774677,3.632068833,0.073937924,1.544812114,1.267677695,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327453,0.172651819,9.901175202,2.031605912,0.342983905,0.667736559,0.507862007,2.131716203,0.063188491,0.028036188,0.008212694,0.127880219,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639356705,0.604931197,12.72639856,2.386071348,1.488917832,1.989391864,1.738934606,2.878102044,0.366826274,0.272221597,0.01265383,0.413976048,0.093040371,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639707964,2.704485898,28.41781683,6.536530975,9.975728433,9.512644878,8.566645745,7.425741086,3.320202306,3.237565143,0.066739291,1.456961205,1.129478003,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.639393989,0.939705521,15.05210916,2.830456667,2.580674811,3.090151718,2.751667851,3.52065171,0.705390494,0.585776175,0.018367329,0.611301281,0.202096118,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.6399506,3.759303908,36.92413069,9.389950807,15.16342546,13.64153758,12.26525724,10.00225513,5.271659595,5.290151795,0.104196175,1.871341804,1.848788779,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.115572728,5.458345801,1.293996193,18.83743165,4.105933993,4.885028632,4.875898242,4.176383271,4.915452326,1.333675458,1.23894564,0.03299753,1.038103892,0.429124615,1.22E-06,2.71E-33,1.16E-81,9.60E-152,1.53E-243,0,0,0,0,0,0,0,0,0,0,0,4.602292001,1.048856038,1.021895088,0.689684139,0.15717807,0.464329752,0.474055523,0.463843561,6.673043127,10.60202218,22.20789775,0.534526208,1.402228837,3.750907741,0.572402406,0.532345256,0.772482277,0.117883655,0.308451949,0.140285316,0.125876798,4.855655402,4.448522259,10.44713816,0.658723415,0.574614063,4.101671983,0.768919476,0.734117984,0.73182598,0.137191675,0.368799328,0.253913911,0.23938153,5.604709443,6.729444253,14.64945572,0.597738971,0.862094769,4.582443781,1.037768098,1.010489484,0.691094883,0.156509552,0.46033151,0.4640314,0.453547217,6.630701363,10.43467897,21.87077719,0.536642324,1.377910127,4.252526117,0.853336246,0.820858114,0.717517577,0.143981186,0.396421314,0.313079165,0.299291996,5.926720478,7.820023226,16.72550209,0.576276366,1.008792474,4.664053222,1.083352814,1.057383671,0.6854074,0.159204452,0.476882371,0.505931162,0.496619889,6.804789707,11.13002848,23.27758246,0.5281111,1.479433422,4.595682444,1.038936125,1.013817623,0.691242619,0.156267744,0.462999553,0.46519888,0.456539734,6.648436191,10.48709611,21.97612672,0.536863928,1.384738167 +UMLRON0104,L,"3,3-Dimethylhexane",CCCC(C)(C)CC,11233,,"Sandia, UML",[1],C8H18,PubChem,,75.5,0,1.4608,2.13393664,24.7797,15.46793,0,0,15,5,10,0,5,0,0,0,0,0,0,0,0,0,731.481245,698.127364,730.470052,500.445122,149.434992,15.24096,0,0,0,2428.421953,2841.433771,3319.576959,2984.058748,1759.442691,466.2561665,0,0,0,104.88722,101.338384,169.32136,176.39156,185.789376,100.77696,0,0,0,18.39062905,22.2910431,28.07503496,27.1757307,19.36279389,6.669193573,0,0,0,2483.148301,2038.402901,3823.989213,3966.177935,4643.030457,2773.76478,0,0,0,32.02777778,34.83333333,45,51.5,41,15,0,0,0,48.76541633,49.86624029,30.43625217,20.01780488,5.534629333,1.016064,0,0,0,161.8947969,202.9595551,138.3157066,119.3623499,65.16454411,31.08374443,0,0,0,6.992481333,7.238456,7.055056667,7.0556624,6.881088,6.718464,0,0,0,1.226041937,1.592217364,1.169793123,1.087029228,0.717140514,0.444612905,0,0,0,165.54322,145.6002072,159.3328839,158.6471174,171.964091,184.917652,0,0,0,2.135185185,2.488095238,1.875,2.06,1.518518519,1,0,0,0,0.034780558,-0.004274942,-0.004224681,-0.020823052,-0.001276213,0.013208609,0,0,0,403.5533633,-53.80711511,6.75E-14,-269.0355756,-80.71067267,201.7766817,0,0,0,750.4247115,-100.0566282,1.07E-13,-500.283141,-150.0849423,375.2123557,0,0,0,0.079053333,-0.010540444,4.54E-16,-0.052702222,-0.015810667,0.039526667,0,0,0,3.354747616,-0.447299682,-4.72E-16,-2.236498411,-0.670949523,1.677373808,0,0,0,18.22304229,-2.429738973,1.95E-14,-12.14869486,-3.644608459,9.111521147,0,0,0,4.914814815,-1.705679012,1.215925926,-2.128395062,-1.618888889,1.77962963,0,0,0,0.002318704,-3.05E-04,-1.76E-04,-8.33E-04,-4.73E-05,8.81E-04,0,0,0,26.90355756,-3.843365365,2.81E-15,-10.76142302,-2.989284173,13.45177878,0,0,0,50.0283141,-7.146902014,4.44E-15,-20.01132564,-5.558701566,25.01415705,0,0,0,0.005270222,-7.53E-04,1.89E-17,-0.002108089,-5.86E-04,0.002635111,0,0,0,0.223649841,-0.031949977,-1.97E-17,-0.089459936,-0.024849982,0.111824921,0,0,0,1.214869486,-0.173552784,8.14E-16,-0.485947795,-0.134985498,0.607434743,0,0,0,0.327654321,-0.121834215,0.05066358,-0.085135802,-0.059958848,0.118641975,0,0,0,-0.131691238,-0.075916719,-0.359218828,-0.020385152,0.379769894,0,0,0,-0.142857143,1.05E-16,-0.4,-0.111111111,0.5,0,0,0,-0.142857143,8.88E-17,-0.4,-0.111111111,0.5,0,0,0,-0.142857143,3.59E-15,-0.4,-0.111111111,0.5,0,0,0,-0.142857143,-8.79E-17,-0.4,-0.111111111,0.5,0,0,0,-0.142857143,6.70E-16,-0.4,-0.111111111,0.5,0,0,0,-0.371837657,0.154625094,-0.259834213,-0.182994223,0.362094951,0,0,0,1.393002947,1.087004873,1.402222491,0.860189078,0.075278294,0,0,0,1.5,1.05,1.428,0.855555556,0,0,0,0,1.5,1.05,1.428,0.855555556,0,0,0,0,1.5,1.05,1.428,0.855555556,0,0,0,0,1.5,1.05,1.428,0.855555556,0,0,0,0,1.5,1.05,1.428,0.855555556,0,0,0,0,1.695553881,0.56212321,1.571439337,1.055011304,0,0,0,0,13.31375144,6.65687572,10.4104119,13.31375144,2.662750288,6.659841172,-8.88E-16,0.126751897,0.025350379,-1.032761833,11.87880912,2.375761825,1.237378033,13.31375144,6.65687572,10.4104119,13.31375144,2.662750288,6.659841172,-8.88E-16,0.126751897,0.025350379,-1.032761833,11.87880912,2.375761825,1.237378033,13.31375144,6.65687572,10.4104119,13.31375144,2.662750288,6.659841172,-8.88E-16,0.126751897,0.025350379,-1.032761833,11.87880912,2.375761825,1.237378033,13.31375144,6.65687572,10.4104119,13.31375144,2.662750288,6.659841172,-8.88E-16,0.126751897,0.025350379,-1.032761833,11.87880912,2.375761825,1.237378033,13.31375144,6.65687572,10.4104119,13.31375144,2.662750288,6.659841172,-8.88E-16,0.126751897,0.025350379,-1.032761833,11.87880912,2.375761825,1.237378033,13.31375144,6.65687572,10.4104119,13.31375144,2.662750288,6.659841172,-8.88E-16,0.126751897,0.025350379,-1.032761833,11.87880912,2.375761825,1.237378033,18.58048848,9.146910908,14.87728949,18.40848848,3.681697697,9.147132876,-0.286666667,0.163457233,0.032691447,-0.905601947,10.79704975,2.15940995,1.189636463,0,11.89,12.11005553,-0.173455871,0.049510438,5.217367786,7.065138911,4,14,13,13,3,1,1,0,0,1,10.93207,3.478303157,2.758656042,2.226566714,1.664066127,0.424901583,0.083923071,0.083923071,0.083923071,1.845859217,1.456334089,1.117260821,0.797347215,0.083923071,0.083923071,0.083923071,0.083923071,3.501165735,2.809097121,2.295661624,1.756600436,0.537177616,0.270913902,0.270913902,0.270913902,1.788610577,1.362024587,1.004585363,0.660826397,0.270913902,0.270913902,0.270913902,0.270913902,3.605182792,3.026266897,2.584754718,2.135469256,0.963716016,0.943918427,0.943918427,0.943918427,1.626611356,1.068473572,0.639292662,0.20533838,0.943918427,0.943918427,0.943918427,0.943918427,3.518198314,2.846056108,2.345844755,1.823364094,0.616307761,0.399277246,0.399277246,0.399277246,1.75268982,1.300534979,0.929977013,0.569460236,0.399277246,0.399277246,0.399277246,0.399277246,3.657830275,3.128465056,2.715900086,2.302626892,1.207644823,1.207644823,1.207644823,1.207644823,1.578297582,0.972099121,0.513973,0.044024074,1.134150761,1.207644823,1.207644823,1.207644823,3.539406888,2.868893903,2.485247358,1.823129509,0.609857246,0.491803279,0.491803279,0.491803279,1.778774295,1.26479603,0.791793473,0.523957992,0.491803279,0.491803279,0.491803279,0.491803279,0,0,1,0,1,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.25,0,0,0,0.40824829,0,0,0.25,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.914213562,1.914213562,1.310660172,0.603553391,0,0,0,0,0.782842712,0.478553391,0.327665043,0.301776695,0,0,0,0,7.709139019,14.43918427,13.62745098,13.8,8.992772455,115.1412754,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.89869,24.835,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,2,2,0,1,0,0,0,0,0,0,0,0,2,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.928240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.378819444,0,0,0,0.533680556,0.580555556,0,0.378819444,0,0,0,0,0,0,0,0,4.127314815,3.673611111,1.111111111,0,0,0,0,0,0,1.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.378819444,0,0,0,0.243402778,0.290277778,0,0.378819444,0,0,0,0,0,0,0,0,2.027777778,3.673611111,1.111111111,0,0,0,0,0,0,1.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.673611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.378819444,0,0,0,0.290277778,0.290277778,0,0.378819444,0,0,0,0,0,0,0,0,2.099537037,3.673611111,1.111111111,0,0,0,0,0,0,1.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.16666667,2.033333333,0.378819444,3.673611111,0.097222222,1.111111111,3.309861111,0.412037037,0.673611111,1.601851852,0.412037037,0.673611111,1.601851852,2.5,0.5,0,0,0.43333,0.7,0.41765,0.41765,0.7,0.01569,0.01569,0,0,0.71429,0,0,0.6,0.2,0,3,0.6,2,0.4,1,0.2,-1,-0.2,0,0,3.32449,0.6649,4.43249,1.10801,0.2216,1.72875,0.34575,2.27005,0.5413,0.10826,0.14395,0.02879,0.14395,0.02879,0,4,0,0,0,0,0,0,0.6,0.918295834,2.173557262,3.006238929,3.006238929,2.485320183,1.316356651,13.77443751,32.60335893,45.09358393,45.09358393,37.27980274,19.74534976,0.235045188,0.556339424,0.769470978,0.769470978,0.636137645,0.336932048,2.988594762,1.733333333,0.900651667,0.900651667,1.421570413,2.590533945,0.235045188,0.556339424,0.769470978,0.769470978,0.636137645,0.336932048,6.73287657,16.50564042,17.34483785,17.34483785,11.09381289,1.326657184,19.74937501,12.45835189,12.15043656,12.15043656,9.02492408,3.561484539,5,2.25,4,5,2,4,2.01,0.7701,1.144714243,1.889881575,2.381101578,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.104,0.088,0.143,0.175,2.139,4,2,0,0,0,0,0,0,0,15,1.791759469,1.945910149,1.386294361,0,0,0,0,0,0,0,2.995732274,1.266666667,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,3,0.75,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,0,92.39992313,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,70.07825032,4.671883355,8.696801932,1.739360386,0,0,0,18,2,2.312,16,1.211428571,2.098017122,2.952472598,3.569229372,4.144266685,0,0,0,0,0,69.92739169,73.49106214,63.3689817,20.45827569,4.210840185,0,0,0,0,0,268.109486,317.7210459,366.1345666,237.8964023,128.8193265,0,0,0,0,0,8.79932869,14.86407934,20.86892914,24.5855154,27.84310653,0,0,0,0,0,2.049517408,2.622325481,3.297838139,2.602094062,1.842594449,0,0,0,0,0,174.488084,329.7914256,465.6292458,611.7613444,766.3480647,0,0,0,0,0,3.091964286,4.155453996,6.193665875,5.420452851,4.144266685,0,0,0,0,0,0.425593929,0.553186125,0.704857989,0.574310503,0.424372909,0,0,0,0,0,295.9487617,94.8246211,9.078656484,155.9224139,-49.95893118,-8.870647062,140.0263478,144.7835523,17.94930355,0.654940562,0.209848794,0.020091249,0.345059438,-0.11056012,-0.01963092,133.7307149,42.84851302,4.102383179,70.4568445,-22.57500097,-4.008389717,0.166760387,0.311224029,3.973140582,7.556008687,451.8711757,0,1,0,271.1514402,16.46667666,6.472478828,368.4464256,19.19495834,7.168992333,393.1622378,19.82831909,7.325837248,1.280632412,1.082380848,183.3774141,136.1409493,57.30739481,1.346967352,3.199890951,2.375626213,3.17872156,3.19886722,5.272006178,0.648085342,2.952490064,3.032619972,3.212828469,6.293874198,3.916320016,5.48344502,1.967037848,7.111958721,1.473149529,0.01105391,1.93E-23,6.47E-66,4.19E-130,5.24E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.247780732,3.016952406,0.209601806,3.604118084,0.042409275,0.337459336,0.241432011,0.337094106,0.010375513,7.79E-05,1.36E-25,4.56E-68,2.95E-132,3.69E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.799848276,3.017999688,0.716174751,3.938790709,0.324979407,1.170224751,0.50926857,1.259346312,0.108120841,8.11E-04,1.41E-24,4.75E-67,3.08E-131,3.84E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.786902164,3.030899932,2.991314727,6.053374395,3.499385561,5.091417651,1.831540852,6.53424645,1.312549708,0.009848834,1.72E-23,5.76E-66,3.73E-130,4.67E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.178831661,3.019357232,1.0955283,4.232182066,0.669843404,1.806513914,0.718189004,2.029217713,0.234852914,0.00176224,3.07E-24,1.03E-66,6.68E-131,8.35E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.565596079,3.039852429,4.075752388,7.270441509,5.664163255,7.022366604,2.502622216,9.435995978,2.148450139,0.016121088,2.81E-23,9.43E-66,6.11E-130,7.64E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.535170277,2.186537746,1.366512057,4.467559622,1.007237833,2.62725139,0.867256989,2.623109818,0.356311361,0.002673614,4.66E-24,1.56E-66,1.01E-130,1.27E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.750185793,1.273512754,0.33309122,0.631241336,0.292305303,0.571759519,0.445755222,0.39998634,4.356789767,4.842655342,10.36606269,0.446862004,1.417501081,1.873947286,0.747511591,0.071809214,0.695789362,0.277548156,0.267831219,0.155577905,0.018589989,2.693268092,1.58904222,4.382900466,0.543684042,0.441999113,2.221123059,0.9572599,0.175581946,0.662238014,0.285411424,0.374397858,0.253713183,0.111142076,3.353964905,2.684258703,6.411544544,0.493357022,0.739253118,2.728419814,1.26056323,0.326622614,0.632221762,0.292094165,0.562803829,0.436855976,0.38460178,4.315605658,4.742237761,10.1812115,0.448332643,1.384261584,2.376269256,1.050357689,0.221837724,0.651306638,0.287890328,0.42788712,0.304758525,0.177414696,3.648464669,3.256087806,7.458244501,0.476959956,0.910060341,2.818347107,1.314036413,0.353342699,0.62829227,0.292937275,0.600269879,0.474174176,0.450102095,4.485726219,5.16355827,10.95785763,0.442438404,1.524546149,2.723578559,1.265981367,0.32572615,0.631146698,0.293371365,0.560856532,0.440716565,0.382493485,4.315286076,4.747503702,10.18589345,0.446720047,1.384066582 +UMLRON0105,L,2-Methyl-1-Butene,CCC(=C)C,11240,RON from [9],"Sandia, UML","[1], [9]",C5H10,PubChem,,98.3,0,1.7268,2.98183824,28.697,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,1045.244598,873.72298,286.677216,30.48192,0,0,0,2914.106344,3494.423905,4458.251484,4634.248866,3145.880449,932.5123329,0,0,0,125.864664,123.114164,212.074584,241.296016,290.957184,201.55392,0,0,0,22.06875486,27.30703172,36.76914939,40.54834087,33.39023292,13.33838715,0,0,0,2979.777961,2471.442353,4753.658325,5291.624482,7067.04909,5547.529561,0,0,0,37.55555556,41.22222222,55.33333333,72.66666667,70,30,0,0,0,48.76541633,50.97680359,34.8414866,25.69773471,6.825648,1.016064,0,0,0,161.8947969,205.5543474,148.6083828,136.3014372,74.90191545,31.08374443,0,0,0,6.992481333,7.242009647,7.0691528,7.096941647,6.927552,6.718464,0,0,0,1.226041937,1.606295984,1.225638313,1.192598261,0.795005546,0.444612905,0,0,0,165.54322,145.3789619,158.4552775,155.6360142,168.2630736,184.917652,0,0,0,2.086419753,2.424836601,1.844444444,2.137254902,1.666666667,1,0,0,0,0.037845127,-0.007313313,0.004195443,-0.020193286,-0.022327019,0.026715611,0,0,0,484.264036,-53.80711511,80.71067267,-349.7462482,-322.8426907,403.5533633,0,0,0,900.5096538,-100.0566282,150.0849423,-650.3680833,-600.3397692,750.4247115,0,0,0,0.094864,-0.010540444,0.015810667,-0.068512889,-0.063242667,0.079053333,0,0,0,4.025697139,-0.447299682,0.670949523,-2.907447934,-2.683798093,3.354747616,0,0,0,21.86765075,-2.429738973,3.644608459,-15.79330332,-14.57843384,18.22304229,0,0,0,5.555555556,-2.333333333,2,-1.111111111,-4.666666667,3.333333333,0,0,0,0.002102507,-4.30E-04,1.40E-04,-5.94E-04,-5.32E-04,8.91E-04,0,0,0,26.90355756,-3.165124418,2.690355756,-10.28665436,-7.68673073,13.45177878,0,0,0,50.0283141,-5.885684011,5.00283141,-19.12847304,-14.29380403,25.01415705,0,0,0,0.005270222,-6.20E-04,5.27E-04,-0.002015085,-0.001505778,0.002635111,0,0,0,0.223649841,-0.026311746,0.022364984,-0.085513175,-0.063899955,0.111824921,0,0,0,1.214869486,-0.142925822,0.121486949,-0.464508921,-0.347105568,0.607434743,0,0,0,0.308641975,-0.137254902,0.066666667,-0.032679739,-0.111111111,0.111111111,0,0,0,-0.204610432,0.066514929,-0.28248189,-0.252838951,0.423551655,0,0,0,-0.117647059,0.1,-0.382352941,-0.285714286,0.5,0,0,0,-0.117647059,0.1,-0.382352941,-0.285714286,0.5,0,0,0,-0.117647059,0.1,-0.382352941,-0.285714286,0.5,0,0,0,-0.117647059,0.1,-0.382352941,-0.285714286,0.5,0,0,0,-0.117647059,0.1,-0.382352941,-0.285714286,0.5,0,0,0,-0.444705882,0.216,-0.105882353,-0.36,0.36,0,0,0,1.490488958,0.90413532,1.442505656,1.167157836,0.082393556,0,0,0,1.5,0.991666667,1.5,1.113095238,0,0,0,0,1.5,0.991666667,1.5,1.113095238,0,0,0,0,1.5,0.991666667,1.5,1.113095238,0,0,0,0,1.5,0.991666667,1.5,1.113095238,0,0,0,0,1.5,0.991666667,1.5,1.113095238,0,0,0,0,1.8,0.498666667,1.36,1.457142857,0,0,0,0,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,27.35121281,13.49227307,20.7392081,27.10676837,4.517794728,13.49227607,-0.366666667,0.121228414,0.020204736,-1.266047278,14.2004966,2.366749433,1.591966161,0,11.89,12.11007471,-0.171717965,0.050870917,5.799201109,7.822760625,5,17,16,16,4,1,1,0,0,1,13.118484,3.54688642,2.882741093,2.333552793,2.225633185,1.311576857,0.377869599,0.083923071,0.083923071,1.888164914,1.504295285,1.249629723,1.113576313,0.502978359,0.083923071,0.083923071,0.083923071,3.567872114,2.925735049,2.405454588,2.294583306,1.408670279,0.499309956,0.270913902,0.270913902,1.83436842,1.417106347,1.134540686,1.001341106,0.359699224,0.270913902,0.270913902,0.270913902,3.663676216,3.11439833,2.704236987,2.582939642,1.807291365,0.960747317,0.943918427,0.943918427,1.683492613,1.151735752,0.76031856,0.637314864,0.119164066,0.943918427,0.943918427,0.943918427,3.583520973,2.957433039,2.457539916,2.344653769,1.478828883,0.584911008,0.399277246,0.399277246,1.800743558,1.360737634,1.058262671,0.927013719,0.263743778,0.399277246,0.399277246,0.399277246,3.712418321,3.205173364,2.838982085,2.713681341,1.983213056,1.207644823,1.207644823,1.207644823,1.638855195,1.066797447,0.631337262,0.512357958,0.288976647,1.145127163,1.207644823,1.207644823,3.584776845,3.006353795,2.5,2.5,1.463021768,0.601457103,0.5,0.5,1.845134323,1.305468963,1,0.761471008,0.243535217,0.5,0.5,0.5,0,0,1,0,1,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.666666667,0,0.333333333,0,0.49279928,0,0.204124145,0,1.333333333,0,0,0.90104757,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,4.78445705,2.296929064,2.001053209,0.98559856,0,0,0,0,0.797409508,0.459385813,0.333508868,0.24639964,0,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,24,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,3,2,0,1,0,0,0,0,0,0,0,0,3,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.013888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.777083333,0.580555556,0,0.363194444,0,0,0,0,0,0,0,0,6.328703704,3.75462963,0,0,0,0,0.657407407,0,0,1.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.243402778,0.290277778,0,0.363194444,0,0,0,0,0,0,0,0,2.046296296,3.75462963,0,0,0,0,0.657407407,0,0,1.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.75462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.290277778,0.290277778,0,0.363194444,0,0,0,0,0,0,0,0,2.141203704,3.75462963,0,0,0,0,0.657407407,0,0,1.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,2,0.363194444,3.75462963,0.069444444,0.657407407,4.029814815,0.675925926,0.75462963,2.166666667,0.675925926,0.75462963,2.166666667,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.66667,0.33333,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.86109,0.81018,6.13075,1.26965,0.21161,2.1183,0.35305,2.64272,0.52442,0.0874,0.27128,0.04521,0.27128,0.04521,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.102187171,2.821888196,2.821888196,2.358563195,1.311361806,16.52932501,37.83936908,50.79398752,50.79398752,42.45413752,23.60451251,0.220218789,0.504130691,0.676723969,0.676723969,0.565612857,0.314480909,3.251629167,2.06773783,1.348036806,1.348036806,1.811361806,2.858563195,0.220218789,0.504130691,0.676723969,0.676723969,0.565612857,0.314480909,6.73287657,16.17613249,16.90146519,16.90146519,11.34156519,1.321623254,23.69925001,15.20198837,15.1849632,15.1849632,12.4050132,5.16683403,6,2.222222222,3,6,2,4,2.12,0.911,2.289428485,0,5.656854249,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.108,0.104,0.16,2.41,6,4,0,0,0,0,0,0,0,21,1.945910149,2.197224577,1.945910149,0,0,0,0,0,0,0,3.295836866,1.238095238,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,3,0.5,2,0.888888889,0,0,0,0,0,0,0,0,0.4,0.148148148,0,0,0,0,0,0,0,0,0.548148148,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,0,109.6959078,3.584962501,3.135494216,3.761200116,4.465908119,5.141663557,5.837730447,6.52649486,7.220373837,7.912423121,8.605753368,63.60704164,2.397895273,0,3.555348061,0,4.875197323,0,6.244166901,0,7.626082758,7.917536354,84.09390038,4.671883355,10.52364588,1.75394098,0,0,0,29,4,2.816,22,1.218176471,2.109577003,2.965464999,3.556975226,4.053990696,0,0,0,0,0,72.09694811,84.47532388,81.56922727,24.99486158,4.119114003,0,0,0,0,0,273.7619267,344.3950826,419.6816095,271.8261257,126.0132107,0,0,0,0,0,8.854038609,14.9811238,21.08149346,24.66690704,27.23659055,0,0,0,0,0,2.083499297,2.772766011,3.631620955,2.871011147,1.80245658,0,0,0,0,0,175.1053983,329.3958065,458.9515989,596.4544215,749.6544409,0,0,0,0,0,3.014607843,4.114653341,6.479454464,5.978653571,4.053990696,0,0,0,0,0,0.432308382,0.582443448,0.770957677,0.629492981,0.415128647,0,0,0,0,0,320.5263574,116.8023746,9.515343608,120.3539891,-43.85795863,-7.047911932,200.1723682,160.6603332,16.56325554,0.727014393,0.264929874,0.021582599,0.272985607,-0.099478144,-0.015985997,141.3137715,51.49587138,4.195127987,53.06170843,-19.336112,-3.107285855,0.146648919,0.272946783,3.493975888,6.523694273,440.8803465,0,1,0,333.2330094,18.25467089,6.932917066,449.9020669,21.21089501,7.66253838,529.7674607,23.01667788,8.091488599,1.128899747,1.044625866,237.8401085,159.6500088,110.8199766,1.489759445,2.146184432,1.440624819,3.473358942,3.200382783,5.273083328,0.64764145,3.51029105,3.98112584,3.605910462,9.615812917,4.886256274,7.099059847,7.389380437,7.818133351,2.898681102,0.013494541,2.02E-23,6.74E-66,4.49E-130,5.85E-216,1.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.294593113,3.965427528,0.223657464,5.616238863,1.017038304,1.437220007,0.497125885,0.390097908,0.020415648,9.50E-05,1.42E-25,4.74E-68,3.16E-132,4.12E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.950964342,3.966476943,0.774023613,6.286675776,1.301180293,2.462660571,1.466047351,1.434574296,0.212746793,9.90E-04,1.48E-24,4.94E-67,3.29E-131,4.29E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.3134208,3.979402453,3.349315577,9.319325544,4.47050405,6.706363811,6.812514788,7.196506942,2.582672676,0.012023393,1.80E-23,6.00E-66,4.00E-130,5.21E-216,1.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.401548931,3.967837182,1.193408684,6.790248666,1.646372185,3.205270752,2.261213417,2.291645153,0.462114463,0.002151331,3.22E-24,1.07E-66,7.15E-131,9.32E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.239221521,3.988372358,4.612209984,10.77220136,6.628706107,8.605359456,9.701161989,10.30922426,4.227453965,0.019680519,2.95E-23,9.82E-66,6.54E-130,8.53E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.888911292,2.743932672,1.499812825,6.948803981,2.004744586,4.717038598,3.167466302,3.117641773,0.724670276,0.003373635,5.06E-24,1.68E-66,1.12E-130,1.46E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.456493695,1.76017599,0.524094047,0.518164126,0.371285322,0.552080646,0.504298169,0.422344983,4.740763733,6.533792705,13.54066637,0.334174172,1.478723798,1.709719081,1.127687354,0.194498023,0.563909287,0.371940267,0.287280117,0.23234941,0.05920089,3.031904458,2.479898528,5.886800734,0.403774331,0.578830416,2.002273056,1.382862366,0.325472472,0.539607825,0.372678118,0.380797109,0.333908721,0.164429976,3.710607894,3.87063645,8.482434675,0.368428915,0.879135805,2.437638932,1.744878186,0.515940074,0.518816887,0.371372583,0.544296001,0.496906667,0.409441921,4.698457192,6.411311189,13.30425912,0.335284205,1.45064459,2.134521069,1.494793189,0.383819693,0.531883833,0.372475279,0.427253319,0.381934347,0.227963184,4.013133951,4.58366984,9.821444832,0.356538669,1.03715085,2.515619586,1.807974047,0.549620585,0.516213627,0.371002375,0.576885268,0.527671145,0.464015288,4.873214217,6.924510983,14.29749576,0.330824002,1.568571702,2.436455244,1.752363361,0.514907106,0.517984125,0.372547948,0.545107525,0.503592432,0.407348987,4.70372571,6.426407363,13.32855723,0.335798109,1.456048945 +UMLRON0106,L,"2,3-Dimethyl-1-Butene",CC(C)C(=C)C,11249,RON from [9],"Sandia, UML","[1], [9]",C6H12,PubChem,,101.3,0,2.6446,6.99390916,29.8868,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,1023.06255,867.626596,308.859264,36.578304,0,0,0,2914.106344,3494.423905,4290.94574,4447.7464,3313.186193,1119.0148,0,0,0,125.864664,123.114164,211.276248,200.985232,291.75552,241.864704,0,0,0,22.06875486,27.30703172,35.43128658,37.88066344,34.72809573,16.00606457,0,0,0,2979.777961,2471.442353,4817.248533,4182.118569,7003.458882,6657.035473,0,0,0,33.55555556,40.11111111,53.33333333,60,66,36,0,0,0,48.76541633,50.97680359,34.102085,30.98666414,7.353792,1.016064,0,0,0,161.8947969,205.5543474,143.0315247,158.8480857,78.88538554,31.08374443,0,0,0,6.992481333,7.242009647,7.0425416,7.178044,6.94656,6.718464,0,0,0,1.226041937,1.606295984,1.181042886,1.352880837,0.826859422,0.444612905,0,0,0,165.54322,145.3789619,160.5749511,149.3613775,166.749021,184.917652,0,0,0,1.864197531,2.359477124,1.777777778,2.142857143,1.571428571,1,0,0,0,0.028563285,0.004993622,0.001018674,-0.032089973,-0.015300317,0.027096351,0,0,0,484.264036,-53.80711511,161.4213453,-430.4569209,-403.5533633,484.264036,0,0,0,900.5096538,-100.0566282,300.1698846,-800.4530256,-750.4247115,900.5096538,0,0,0,0.094864,-0.010540444,0.031621333,-0.084323556,-0.079053333,0.094864,0,0,0,4.025697139,-0.447299682,1.341899046,-3.578397457,-3.354747616,4.025697139,0,0,0,21.86765075,-2.429738973,7.289216918,-19.43791178,-18.22304229,21.86765075,0,0,0,3.308641975,-1.322359396,1.769547325,-1.838134431,-3.423868313,3.160493827,0,0,0,0.001586849,2.94E-04,3.40E-05,-0.00114607,-3.64E-04,7.53E-04,0,0,0,26.90355756,-3.165124418,5.380711511,-15.37346146,-9.608413413,13.45177878,0,0,0,50.0283141,-5.885684011,10.00566282,-28.58760806,-17.86725503,25.01415705,0,0,0,0.005270222,-6.20E-04,0.001054044,-0.003011556,-0.001882222,0.002635111,0,0,0,0.223649841,-0.026311746,0.044729968,-0.127799909,-0.079874943,0.111824921,0,0,0,1.214869486,-0.142925822,0.242973897,-0.694211135,-0.433881959,0.607434743,0,0,0,0.183813443,-0.077785847,0.058984911,-0.065647658,-0.081520674,0.087791495,0,0,0,0.185110519,0.021398262,-0.722230264,-0.229570187,0.474321349,0,0,0,-0.117647059,0.2,-0.571428571,-0.357142857,0.5,0,0,0,-0.117647059,0.2,-0.571428571,-0.357142857,0.5,0,0,0,-0.117647059,0.2,-0.571428571,-0.357142857,0.5,0,0,0,-0.117647059,0.2,-0.571428571,-0.357142857,0.5,0,0,0,-0.117647059,0.2,-0.571428571,-0.357142857,0.5,0,0,0,-0.423178227,0.320895522,-0.357142857,-0.443496802,0.47761194,0,0,0,1.143370934,1.341487022,2.037953361,0.863223555,0,0,0,0,1.5,0.85,1.821428571,1.214285714,0,0,0,0,1.5,0.85,1.821428571,1.214285714,0,0,0,0,1.5,0.85,1.821428571,1.214285714,0,0,0,0,1.5,0.85,1.821428571,1.214285714,0,0,0,0,1.5,0.85,1.821428571,1.214285714,0,0,0,0,1.880597015,0.494776119,1.590351812,1.468017058,0,0,0,0,17.10468636,8.552343178,11.73848384,17.10468636,2.850781059,8.552804898,3.55E-15,2.22E-16,3.70E-17,-21.62619203,19.11354926,3.185591544,1.770238481,17.10468636,8.552343178,11.73848384,17.10468636,2.850781059,8.552804898,3.55E-15,2.22E-16,3.70E-17,-21.62619203,19.11354926,3.185591544,1.770238481,17.10468636,8.552343178,11.73848384,17.10468636,2.850781059,8.552804898,3.55E-15,2.22E-16,3.70E-17,-21.62619203,19.11354926,3.185591544,1.770238481,17.10468636,8.552343178,11.73848384,17.10468636,2.850781059,8.552804898,3.55E-15,2.22E-16,3.70E-17,-21.62619203,19.11354926,3.185591544,1.770238481,17.10468636,8.552343178,11.73848384,17.10468636,2.850781059,8.552804898,3.55E-15,2.22E-16,3.70E-17,-21.62619203,19.11354926,3.185591544,1.770238481,17.10468636,8.552343178,11.73848384,17.10468636,2.850781059,8.552804898,3.55E-15,2.22E-16,3.70E-17,-21.62619203,19.11354926,3.185591544,1.770238481,19.01928889,9.487422222,13.14343006,18.98965926,3.16494321,9.487587743,-0.044444444,3.89E-16,6.48E-17,-21.29042256,17.26440334,2.877400556,1.709188063,0,11.89,12.11007471,-0.171641681,0.050926005,5.93534507,7.704530162,5,17,16,16,4,1,1,0,0,1,13.118484,3.577678359,2.754514655,2.333552793,2.333552793,1.380180602,0.083923071,0.083923071,0.083923071,1.884441385,1.459722328,1.249629723,1.249629723,0.200363762,0.083923071,0.083923071,0.083923071,3.595476868,2.805077402,2.405454588,2.405454588,1.453787495,0.270913902,0.270913902,0.270913902,1.833962164,1.364136899,1.134540686,1.134540686,0.114414899,0.270913902,0.270913902,0.270913902,3.678680972,3.023972383,2.704236987,2.704236987,1.746119582,0.943918427,0.943918427,0.943918427,1.696272366,1.066668566,0.76031856,0.76031856,0.202004847,0.943918427,0.943918427,0.943918427,3.608851245,2.842205793,2.457539916,2.457539916,1.506439339,0.399277246,0.399277246,0.399277246,1.802748674,1.301799776,1.058262671,1.058262671,0.054393436,0.399277246,0.399277246,0.399277246,3.722170417,3.127406898,2.838982085,2.838982085,1.868921379,1.207644823,1.207644823,1.207644823,1.65682606,0.969233411,0.631337262,0.631337262,0.322850423,1.207644823,1.207644823,1.207644823,3.588132899,2.904174121,2.546278942,2.546278942,1.518899637,0.529411765,0.529411765,0.529411765,1.802208064,1.222230739,0.958043648,0.958043648,0.045591384,0.529411765,0.529411765,0.529411765,0,0,0,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0.666666667,0,0.333333333,0,0.5,0,0.25,0,1.333333333,0,0,1,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,5,2.25,2,1,0,0,0,0,0.833333333,0.45,0.333333333,0.25,0,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,24,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.851851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.161111111,0,0,0,0,0,0,0,0,0,0,8.481481481,0,0,0,0,0,0,0,0,2.851851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.425925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290277778,0,0,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,0,0,0,0,1.425925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.425925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290277778,0,0,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,0,0,0,0,1.425925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.33333333,1.888888889,0.290277778,2.12037037,0.069444444,1.425925926,3.261888889,0.240740741,0.12037037,0.962962963,0.240740741,0.12037037,0.962962963,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.66667,0.33333,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,5.21661,0.86944,6.13075,0.91413,0.15236,1.98885,0.33148,2.64272,0.65387,0.10898,0.27128,0.04521,0.27128,0.04521,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.224394445,1.224394445,1.224394445,0.872180556,0.389975,16.52932501,22.03910002,22.03910002,22.03910002,15.69925001,7.019550009,0.220218789,0.293625052,0.293625052,0.293625052,0.209159771,0.093520867,3.251629167,2.945530556,2.945530556,2.945530556,3.297744445,3.779950001,0.220218789,0.293625052,0.293625052,0.293625052,0.209159771,0.093520867,6.73287657,10.40605991,10.40605991,10.40605991,6.179493238,0.393026567,23.69925001,20.47920002,20.47920002,20.47920002,16.25263335,4.679700006,6,2.222222222,3,6,2,4,2.12,0.911,2.289428485,0,5.656854249,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.099,0.064,0.179,0.192,2.662,6,4,0,0,0,0,0,0,0,21,1.945910149,2.397895273,2.197224577,0,0,0,0,0,0,0,3.433987204,1.428571429,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.8,0,2,3,0.5,2,0.888888889,0,0,0,0,0,0,0,0,0.4,0.148148148,0,0,0,0,0,0,0,0,0.548148148,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,0,109.6959078,3.584962501,3.135494216,3.761200116,4.465908119,5.141663557,5.837730447,6.52649486,7.220373837,7.912423121,8.605753368,63.60704164,2.397895273,0,3.555348061,0,4.875197323,0,6.244166901,0,7.626082758,7.917536354,84.09390038,4.671883355,10.52364588,1.75394098,0,0,0,29,4,2.434,22,1.207397348,2.076070663,3.099017007,3.706345804,4.288018608,0,0,0,0,0,72.12673237,84.02992438,103.0806451,28.4916887,4.356901339,0,0,0,0,0,272.899674,335.0632511,508.7507125,301.6988606,133.2876745,0,0,0,0,0,8.777829678,14.70853224,22.26744727,25.79083711,28.80889865,0,0,0,0,0,2.073528238,2.685589355,4.282004633,3.1391732,1.906508409,0,0,0,0,0,173.4229391,327.0373382,461.4684678,614.4862624,792.9303329,0,0,0,0,0,2.950649301,3.943345921,6.753972713,5.935698491,4.288018608,0,0,0,0,0,0.43011254,0.563977646,0.903750156,0.68628874,0.439093105,0,0,0,0,0,273.1188079,89.91600691,7.493000576,61.13617844,-20.12721527,-3.16572961,211.9826295,110.0432222,10.65873019,0.817097183,0.269004235,0.02241702,0.182902817,-0.060215153,-0.009471002,91.29132342,30.05487366,2.504572805,20.43507249,-6.727622067,-1.058160908,0.083333333,0.233834161,2.003888872,2.507635237,334.2549864,0,1,0,330.7653333,18.18695503,6.915761305,451.0810708,21.23866923,7.66922597,516.7357725,22.7318229,8.024589822,1.174474866,1.09302944,269.665614,166.9423761,115.5297772,1.615321528,2.334165447,1.445015996,3.598200283,3.239646161,5.351274373,0.651808286,4.959674166,4.10106849,1.757912373,10.05386828,3.378503924,6.287003306,2.636942367,5.689021818,3.846190723,0.296444448,1.07E-18,9.84E-58,1.76E-118,6.11E-201,4.08E-305,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.416233732,4.087452346,0.085430023,5.758451828,1.638604583,0.310923391,1.331889407,0.420527082,0.027102689,0.002087882,7.55E-21,6.93E-60,1.24E-120,4.30E-203,2.87E-307,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.343646787,4.088362308,0.316697579,6.277984947,1.954930244,1.146489184,1.53930057,1.395014345,0.282323716,0.021757345,7.87E-20,7.22E-59,1.29E-119,4.48E-202,2.99E-306,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.681527998,4.099573594,1.616566776,9.664521702,3.258253574,5.78520661,2.536183508,5.330784482,3.42689609,0.264126666,9.55E-19,8.76E-58,1.57E-118,5.44E-201,3.63E-305,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.980286775,4.089542027,0.508152933,6.740703943,2.183605807,1.834179451,1.69919361,2.093935973,0.613211239,0.047259861,1.71E-19,1.57E-58,2.81E-119,9.74E-202,6.50E-306,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.98952423,4.107354304,2.325484732,11.63894325,3.839331859,8.299286363,3.033697088,7.05595248,5.609263167,0.432336367,1.56E-18,1.43E-57,2.57E-118,8.91E-201,5.95E-305,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.780164003,3.802255508,0.670242117,7.335412524,2.643024829,2.692662861,2.056826814,2.981517146,1.078047866,0.083086506,3.01E-19,2.76E-58,4.95E-119,1.71E-201,1.14E-305,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.786242679,2.153601757,0.352975157,0.526419356,0.406891208,0.698229007,0.691708542,0.444440771,5.292819593,7.744099496,15.15493139,0.399965845,1.834378319,1.908898088,1.297556936,0.076095878,0.581528861,0.395289205,0.327768692,0.251133254,0.020656078,3.282550902,2.720901965,6.191935048,0.465227099,0.599558025,2.257350149,1.637550886,0.186063341,0.553141351,0.401265665,0.458335199,0.399961667,0.123494392,4.080964375,4.421224034,9.189976336,0.431610525,0.981791258,2.764522027,2.132408572,0.346120406,0.527273533,0.406711392,0.687386752,0.678163989,0.427346372,5.243051005,7.590018075,14.87348019,0.400977387,1.792897113,2.412669891,1.789099867,0.235080365,0.543779894,0.403236489,0.523568762,0.47740557,0.197132542,4.436850123,5.304260948,10.7558372,0.420524575,1.198106874,2.854244266,2.219951939,0.374435552,0.523846058,0.407432919,0.732721637,0.734978511,0.500126384,5.448631757,8.23624455,16.05740671,0.396918465,1.967826532,2.766496532,2.134038945,0.345771583,0.527322648,0.406769737,0.688368983,0.679201356,0.426485438,5.24630706,7.59827725,14.8859545,0.401138578,1.794055777 +UMLRON0107,L,"2,3-Dimethyl-2-Butene",CC(=C(C)C)C,11250,,"Sandia, UML",[1],C6H12,PubChem,,97.4,0,0.4804,0.23078416,25.857,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,890.291353,1115.814094,937.17398,254.239776,18.289152,0,0,0,2644.81273,3144.163273,3956.119707,3802.835659,2241.926113,559.5073998,0,0,0,118.238936,111.372268,196.107592,227.226368,222.86016,120.932352,0,0,0,19.03383305,23.6303831,31.19832786,30.87993833,21.90649449,8.003032287,0,0,0,2668.599586,2191.74623,4315.593522,4860.479151,5167.588057,3328.517736,0,0,0,75.55555556,41.88888889,64.33333333,98,78,18,0,0,0,61.71557788,59.35275687,41.32644793,31.23913267,8.4746592,1.016064,0,0,0,165.3007956,209.6108849,146.5229521,126.7611886,74.73087045,31.08374443,0,0,0,7.3899335,7.424817867,7.263244148,7.574212267,7.428672,6.718464,0,0,0,1.189614566,1.575358873,1.155493625,1.029331278,0.730216483,0.444612905,0,0,0,166.7874742,146.1164153,159.8367971,162.0159717,172.2529352,184.917652,0,0,0,4.722222222,2.792592593,2.382716049,3.266666667,2.6,1,0,0,0,0.121025513,-0.048030778,0.007378934,0.012116105,-0.045179696,0.013202678,0,0,0,523.7576238,-43.92541314,140.7294365,-306.3358488,-396.9373015,344.590315,0,0,0,766.4429154,-94.95499335,89.28516151,-470.164965,-405.3582493,497.9715884,0,0,0,1.03666,-0.00156025,0.14481275,-0.3496845,-0.5478825,0.2359845,0,0,0,3.391946473,-0.464107523,-0.097110631,-1.973119717,-1.027398234,1.865762869,0,0,0,18.82152525,-2.587911668,-1.351021359,-10.63137114,-4.418058908,9.577600449,0,0,0,33.30555556,-1.918402778,4.546875,-8.03125,-18.28125,7.03125,0,0,0,0.007564095,-0.003202052,2.73E-04,4.04E-04,-0.00150599,7.33E-04,0,0,0,32.73485148,-2.928360876,5.212201354,-10.21119496,-13.23124338,19.14390639,0,0,0,47.90268221,-6.33033289,3.306857834,-15.6721655,-13.51194164,27.66508825,0,0,0,0.06479125,-1.04E-04,0.005363435,-0.01165615,-0.01826275,0.01311025,0,0,0,0.211996655,-0.030940502,-0.00359669,-0.065770657,-0.034246608,0.103653493,0,0,0,1.176345328,-0.172527445,-0.050037828,-0.354379038,-0.14726863,0.532088914,0,0,0,2.081597222,-0.127893519,0.168402778,-0.267708333,-0.609375,0.390625,0,0,0,-0.423322557,0.036130412,0.053393061,-0.199097175,0.096968925,0,0,0,-0.089456978,0.159224836,-0.311936499,-0.404194392,0.584817267,0,0,0,-0.132149863,0.069032832,-0.327166763,-0.282070669,0.577526914,0,0,0,-0.001605412,0.082780239,-0.179903151,-0.281870623,0.202345996,0,0,0,-0.145948065,-0.016965787,-0.310243845,-0.161543152,0.488939285,0,0,0,-0.146663943,-0.042536683,-0.301254257,-0.125191665,0.452323736,0,0,0,-0.061440089,0.080900751,-0.128607173,-0.292743953,0.18765638,0,0,0,1.120424891,0.715627764,1.397238433,1.396558834,0.003208833,0,0,0,1.170927332,0.787366103,1.36885108,1.337055762,0,0,0,0,1.491123972,1.004070686,1.306269823,1.044504574,0,0,0,0,0.512040592,0.518095508,1.577122682,1.700571065,0,0,0,0,1.594610489,1.112433977,1.303290045,0.898214131,0,0,0,0,1.599979575,1.132286945,1.309539338,0.871412624,0,0,0,0,0.580483736,0.518950978,1.531276063,1.711426188,0,0,0,0,17.73713436,8.99356718,13.33074871,17.90380103,2.983966838,8.993899536,0.25,0.077420581,0.01290343,-1.535101575,15.29858361,2.549763935,1.63665615,17.73880157,8.994033576,13.33137525,17.90497863,2.984163104,8.994365704,0.249265579,0.077403381,0.012900563,-1.535234891,15.29833085,2.549721808,1.636646236,19.2227029,9.411854209,13.93887979,18.95670658,3.159451096,9.41204538,-0.398994478,0.057986566,0.009664428,-1.708526353,15.2947886,2.549131433,1.636507293,17.74055136,8.994523081,13.33203293,17.90621456,2.984369094,8.994854969,0.2484948,0.07738532,0.012897553,-1.535374908,15.29806594,2.549677656,1.636635847,20.80762516,9.862665448,14.75359568,20.08609565,3.347682608,9.862780214,-1.082294264,0.024002671,0.004000445,-2.237754109,16.47012243,2.745020405,1.680928787,17.91181893,9.04247656,13.39696242,18.02724172,3.004540287,9.042786098,0.173134186,0.075573465,0.012595577,-1.549590033,15.27409251,2.545682084,1.635694856,21.40495641,10.79208824,16.48633804,21.60924212,3.601540354,10.79214945,0.612857143,0.129666786,0.021611131,-1.225672383,14.22271898,2.370453163,1.592904369,0,11.89,15.99491589,-0.29920706,0.193066775,4.115247042,7.174253512,5,15,14,14,4,1,1,0,0,1,11.89007,3.552324808,2.858496616,2.333552793,2.067506861,1.184248022,0.083923071,0.083923071,0.083923071,1.83786375,1.446782794,1.249629723,0.649877297,0.144254282,0.083923071,0.083923071,0.083923071,3.5117139,2.848771772,2.405454588,1.961658367,1.194083734,0.270913902,0.270913902,0.270913902,1.807055976,1.374479688,1.134540686,0.643199569,0.163951732,0.270913902,0.270913902,0.270913902,3.651066943,3.076952739,2.704236987,2.342255858,1.660787366,0.943918427,0.943918427,0.943918427,1.624145838,1.077544944,0.76031856,0.232798157,0.365844096,0.943918427,0.943918427,0.943918427,3.512580739,2.867930093,2.457539916,1.954064441,1.227034073,0.399277246,0.399277246,0.399277246,1.791091456,1.329603574,1.058262671,0.646503041,0.116340018,0.399277246,0.399277246,0.399277246,3.685244024,3.157972182,2.838982085,2.408609267,1.811586248,1.207644823,1.207644823,1.207644823,1.586002574,0.995780522,0.631337262,0.154796114,0.50548803,1.207644823,1.207644823,1.207644823,4.646873846,3.253551155,2.738099794,2.587517045,1.52928356,0.555555556,0.555555556,0.555555556,1.70062849,1.149755988,0.920850378,0.306061131,0.433081699,0.555555556,0.555555556,0.555555556,0,0,0,1,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.666666667,0,0.333333333,0,0.406526265,0,0.11785113,0,1.333333333,0,0,0.642228525,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,4.48559856,2.147499818,1.765350948,0.81305253,0,0,0,0,0.74759976,0.429499964,0.294225158,0.203263132,0,0,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,1.2314,25.519,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,24,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,2,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.14351852,0.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.013194444,0.802777778,0,0,0,0,0,0,0,0,0,0,5.384259259,0,0,0,0,0,0.212962963,0,0,0.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.14351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.14351852,0.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305902778,0.401388889,0,0,0,0,0,0,0,0,0,0,1.601851852,0,0,0,0,0,0.212962963,0,0,0.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.14351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.14351852,0.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,1.891203704,0,0,0,0,0,0.212962963,0,0,0.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.14351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,2.666666667,0.565972222,10.14351852,0.305902778,0.212962963,2.379953704,1.407407407,3.143518519,6.287037037,1.407407407,3.143518519,6.287037037,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.42,0.49792,0.82778,0.07792,0,-0.07792,0,0.57047,0.14382,0,0.64706,0.35294,0,4.25,0.70833,2.75,0.45833,1.5,0.25,-1.25,-0.20833,0,0,4.3321,0.72202,6.13075,1.79864,0.29977,1.92436,0.32073,2.64272,0.71836,0.11973,0.27128,0.04521,0.27128,0.04521,0,5.01,1,1,1,1,0,0,0.8,1.198192411,1.798794941,2.608458593,2.608458593,2.108458593,0.983458593,19.17107858,28.78071905,41.73533749,41.73533749,33.73533749,15.73533749,0.299548103,0.449698735,0.652114648,0.652114648,0.527114648,0.245864648,2.801807589,2.201205059,1.391541407,1.391541407,1.891541407,3.016541407,0.299548103,0.449698735,0.652114648,0.652114648,0.527114648,0.245864648,10.71860945,17.9258398,18.7418391,18.7418391,12.7418391,0.991154188,21.96987352,15.23794941,15.79229297,15.79229297,12.79229297,4.542292967,6,2.222222222,3,6,1,4,1.9,0.8288,1.144714243,0,4.242640687,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.437,0.423,0.559,0.164,2.661,6,4,0,0,0,0,0,0,0,21,1.945910149,2.197224577,1.945910149,0,0,0,0,0,0,0,3.295836866,1.238095238,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,3,0.5,2,0.888888889,0,0,0,0,0,0,0,0,0.4,0.148148148,0,0,0,0,0,0,0,0,0.548148148,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,17.07,101.1901498,3.584962501,3.135494216,3.761200116,4.465908119,5.141663557,5.837730447,6.52649486,7.220373837,7.912423121,8.605753368,63.60704164,2.397895273,0,3.555348061,0,4.875197323,0,6.244166901,0,7.626082758,7.917536354,86.07316494,5.379572809,10.52364588,1.75394098,2.325355914,2.325355914,0,29,4,0.731,22,1.2268,2.112273498,2.936455353,3.543726032,4.197361673,0,0,0,0,0,82.78024119,99.43300452,98.02033774,30.88606211,4.264788091,0,0,0,0,0,280.7281514,338.7474884,388.3148092,273.1542496,130.4697175,0,0,0,0,0,9.137724337,15.46111316,22.29503064,26.28984473,28.19982329,0,0,0,0,0,2.061570699,2.604148865,3.115659422,2.663772251,1.866201166,0,0,0,0,0,177.2249115,333.1140169,473.214072,606.6646325,776.1662652,0,0,0,0,0,3.474488889,5.38269341,9.784769913,9.151975701,4.197361673,0,0,0,0,0,0.444136,0.584687302,0.739948472,0.64364208,0.429809835,0,0,0,0,0,322.6707562,134.359726,8.512437561,121.3884158,-50.54599457,-18.50604676,201.2823404,184.9057206,27.01848432,0.726639098,0.302571672,0.019169602,0.273360902,-0.11382716,-0.041674731,143.2849088,59.66366869,3.780025974,53.9036394,-22.44541249,-8.217779799,0.317218128,0.718521233,1.197129881,35.99383467,393.964849,50.09432293,0.887189983,0.112810017,382.2140291,19.55029486,7.257196369,479.08439,21.88799648,7.824753652,611.4113532,24.72673357,8.487461806,1.159112747,1.040951324,233.4267505,158.5192234,106.3467503,1.472545383,2.194958941,1.490588315,3.39504454,3.222561645,5.273470069,0.636421782,2.80222057,3.881199419,2.709266493,7.784781741,2.86081283,3.111567086,4.886055172,5.131357284,2.461198564,0.01085568,1.87E-23,6.42E-66,4.38E-130,5.92E-216,1.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.251664719,3.881080659,0.201990091,4.336793933,0.931516546,0.919338075,0.409134184,0.320194317,0.017334423,7.65E-05,1.32E-25,4.52E-68,3.09E-132,4.17E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765026468,3.880971071,0.542792253,4.627942783,1.09377705,0.964945955,1.085667717,1.103667272,0.18063805,7.97E-04,1.37E-24,4.71E-67,3.22E-131,4.35E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650178473,3.881244822,2.787757271,7.712929945,2.786030527,3.439385079,4.615801482,4.772915705,2.192883611,0.009672216,1.66E-23,5.72E-66,3.91E-130,5.28E-216,1.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.11993283,3.880940732,0.753357849,4.959927952,1.242163042,1.041563384,1.598293318,1.698852241,0.392369982,0.001730638,2.98E-24,1.02E-66,6.99E-131,9.44E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.384110175,3.881325441,3.645535655,8.928064341,3.726663568,4.047837501,6.329571615,6.563412229,3.589426799,0.01583199,2.72E-23,9.36E-66,6.39E-130,8.63E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.711806416,3.262892239,2.606365586,7.43311469,2.406955652,5.31440885,3.003147445,2.750405352,0.759629187,0.003350519,5.77E-24,1.98E-66,1.35E-130,1.83E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.598658955,1.301992849,0.509328437,0.589267709,0.295237796,0.52892672,0.484286219,0.472679123,4.409980241,5.370148262,11.50340835,0.383901564,1.485892061,1.725742287,1.143545858,0.184731406,0.565072442,0.3744396,0.313389411,0.305763616,0.051325346,3.054019551,2.503513077,5.922093674,0.409268063,0.670478373,2.079648598,1.112532078,0.311022732,0.593641977,0.317575644,0.343915002,0.350916682,0.171602382,3.503203408,3.306516532,7.529325701,0.390462966,0.866434065,2.52681693,1.339035032,0.502781804,0.578399808,0.306511167,0.501064747,0.507526508,0.453696391,4.368633765,5.32717641,11.39697059,0.367599712,1.462287646,2.281638498,1.105794666,0.363653296,0.608260706,0.294793169,0.408678339,0.351768348,0.243117547,3.751086461,3.754874918,8.423467257,0.412391059,1.003564234,2.651894008,1.340171283,0.535605181,0.585708263,0.295995765,0.550739762,0.512065897,0.52162199,4.527670473,5.692163051,12.12337016,0.378562395,1.584427649,2.528837175,1.344784414,0.502634491,0.577854021,0.30729107,0.501933529,0.511638456,0.452654068,4.37625608,5.347756636,11.43334235,0.366781032,1.466226054 +UMLRON0108,L,3-Methyl-2-butanone,CC(C)C(=O)C,11251,Opting for Sandia/UML values,"Sandia, UML",[9],C5H10O,PubChem,,99.5,0,1.4529,2.11091841,36.4724,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1725.25417,1698.001544,987.012939,272.79504,27.433728,0,0,3947.642614,5029.877407,7256.714489,8778.467523,7488.257092,3743.781294,839.2610996,0,0,181.25648,180.900988,339.488488,447.40304,623.892972,490.914432,181.398528,0,0,30.31423229,39.56609758,59.5007813,76.19789159,75.14314174,44.05289444,12.00454843,0,0,4342.872585,3643.766351,7595.322043,9785.84112,15132.82441,12741.75907,4992.776605,0,0,43.59027778,51.16666667,77.20833333,113.25,134.25,90,27,0,0,45.09238923,49.11105724,35.94279521,26.95240546,10.96681043,3.78882,1.016064,0,0,151.8324082,201.1950963,151.1815518,139.3407543,83.20285658,51.99696242,31.08374443,0,0,6.971403077,7.23603952,7.072676833,7.101635556,6.932144133,6.818256,6.718464,0,0,1.165932011,1.582643903,1.23959961,1.209490343,0.834923797,0.611845756,0.444612905,0,0,167.033561,145.7506541,158.2358759,155.3308114,168.1424935,176.9688759,184.917652,0,0,1.676549145,2.046666667,1.608506944,1.797619048,1.491666667,1.25,1,0,0,0.034868372,-0.009829724,0.012622776,-0.020707288,-0.018771179,0.004667458,0.014583771,0,0,670.5194345,-58.02572029,196.2845353,-544.438857,-393.2854375,154.7352541,309.4705082,0,0,1246.859521,-107.9013047,364.999475,-1012.407303,-731.331065,287.7368124,575.4736249,0,0,0.131350154,-0.01136684,0.038450793,-0.106651834,-0.077041917,0.030311574,0.060623148,0,0,5.574042193,-0.482369036,1.63171748,-4.525931695,-3.269390132,1.286317429,2.572634858,0,0,30.27828566,-2.620236259,8.863515246,-24.5849328,-17.75937909,6.987296691,13.97459338,0,0,4.000267094,-2.491442719,2.22066075,-1.212986933,-1.724482249,-0.269970414,1.478088018,0,0,0.001341091,-3.93E-04,2.63E-04,-3.29E-04,-2.09E-04,6.48E-05,5.40E-04,0,0,25.78920902,-2.321028812,4.089261152,-8.64188662,-4.369838195,2.149100751,11.46187067,0,0,47.95613541,-4.316052187,7.60415573,-16.06995719,-8.125900722,3.996344617,21.31383796,0,0,0.005051929,-4.55E-04,8.01E-04,-0.001692886,-8.56E-04,4.21E-04,0.002245302,0,0,0.214386238,-0.019294761,0.033994114,-0.071840186,-0.036326557,0.01786552,0.095282773,0,0,1.164549448,-0.10480945,0.184656568,-0.390237029,-0.197326434,0.097045787,0.517577533,0,0,0.153856427,-0.099657709,0.046263766,-0.019253761,-0.019160914,-0.003749589,0.054744001,0,0,-0.293185851,0.196089935,-0.245089295,-0.155521598,0.048338106,0.402761303,0,0,-0.09,0.158564815,-0.335097002,-0.169444444,0.083333333,0.444444444,0,0,-0.09,0.158564815,-0.335097002,-0.169444444,0.083333333,0.444444444,0,0,-0.09,0.158564815,-0.335097002,-0.169444444,0.083333333,0.444444444,0,0,-0.09,0.158564815,-0.335097002,-0.169444444,0.083333333,0.444444444,0,0,-0.09,0.158564815,-0.335097002,-0.169444444,0.083333333,0.444444444,0,0,-0.647731856,0.300694398,-0.125141089,-0.124537624,-0.024370702,0.355812245,0,0,1.83000019,0.807150078,1.465824467,1.118834906,0.659196746,9.42E-05,0,0,1.625,1.03443287,1.57627866,1.053240741,0.564236111,0,0,0,1.625,1.03443287,1.57627866,1.053240741,0.564236111,0,0,0,1.625,1.03443287,1.57627866,1.053240741,0.564236111,0,0,0,1.625,1.03443287,1.57627866,1.053240741,0.564236111,0,0,0,1.625,1.03443287,1.57627866,1.053240741,0.564236111,0,0,0,2.25332176,0.509948588,1.374329527,1.126226881,0.781197837,0,0,0,32.63033722,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,-3.55E-15,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,32.63033722,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,-3.55E-15,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,32.63033722,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,-3.55E-15,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,32.63033722,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,-3.55E-15,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,32.63033722,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,-3.55E-15,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,32.63033722,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,-3.55E-15,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,46.41952658,23.05811398,34.31794781,46.19205262,5.774006577,23.05811398,-0.303298611,0.08659039,0.010823799,-1.95725315,25.42394399,3.177992999,2.588553125,0,11.89,12.11011416,-0.158168268,0.063317183,5.598556974,9.218400949,7,25,25,25,7,0,0,0,0,0,19.677726,3.61529844,3.07136948,2.633404258,2.333552793,2.333552793,1.838393289,1.227434618,0.406441823,1.962164385,1.646394991,1.404041859,1.249629723,1.249629723,0.890079348,0.470045972,0.083923071,3.637374815,3.111265539,2.690693159,2.405454588,2.405454588,1.922740797,1.330945089,0.522639921,1.908928043,1.565545347,1.302544748,1.134540686,1.134540686,0.761132528,0.322939144,0.270913902,3.736755696,3.285747906,2.934594266,2.704236987,2.704236987,2.270668972,1.75081996,0.962616277,1.757042216,1.320226725,0.981451671,0.76031856,0.76031856,0.335350532,0.1724602,0.943918427,3.653762855,3.140636618,2.732524027,2.457539916,2.457539916,1.983732675,1.405408281,0.604396897,1.875432491,1.513357117,1.235954466,1.058262671,1.058262671,0.67516596,0.224165091,0.399277246,3.786501259,3.369573086,3.047746735,2.838982085,2.838982085,2.425698103,1.934019927,1.207644823,1.711220202,1.241780195,0.874195211,0.631337262,0.631337262,0.18626698,0.349920217,1.138227377,3.606859787,3.187135367,2.846756186,2.607254599,2.607254599,2.056158302,1.442974693,0.615591084,1.9109678,1.448096619,1.109485706,0.903112587,0.903112587,0.572795623,0.146082334,0.568047337,0,0,0,0,0,5,1,1,1,0,0,0,0,0,0,0,0,0,0,1.570149549,0.288675135,0.612372436,0.204124145,1.570149549,0.288675135,0.612372436,0.204124145,2.29489442,1.717544151,0.816496581,2.29489442,1.717544151,0.816496581,6.78445705,3.481380475,3.675321265,2.090770275,0.612372436,0,0,0,0.848057131,0.497340068,0.367532126,0.261346284,0.204124145,0,0,0,6.78445705,3.481380475,3.675321265,2.090770275,0.612372436,0,0,0,0.848057131,0.497340068,0.367532126,0.261346284,0.204124145,0,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,43,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,5,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,11.42997685,0,1.295138889,0,0,0,0.849537037,0,0,0,0,0,0.508680556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.245949074,0,1.295138889,0,0,0,0.849537037,0,0,0,0,0,0.508680556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.305555556,0,1.295138889,0,0,0,0.849537037,0,0,0,0,0,0.508680556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.08333333,1.760416667,0.2,2.305555556,0,0.508680556,6.047686921,0.741319444,0.305555556,2.859953704,0.741319444,0.305555556,2.859953704,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.625,0.125,0.125,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.87351,1.23419,9.87351,0,0,3.48137,0.43517,3.48137,0,0,0.43263,0.05408,0.43263,0.05408,0,7,0,0,0,0,0,0,1,0.89049164,1.36704393,2.186661009,2.977594044,2.796807901,2.073663329,23.15278265,35.54314217,56.85318624,77.41744515,72.71700543,53.91524656,0.189448582,0.290833201,0.4652035,0.633471382,0.595009844,0.44116369,3.809948078,3.333395788,2.513778709,1.722845674,1.903631817,2.626776389,0.191756937,0.294376887,0.470871819,0.641189977,0.6022598,0.446539093,6.648700044,12.36732752,16.0913829,16.88850501,14.71907129,8.028569344,31.72521615,23.58736256,19.5115274,19.56928622,18.48456937,15.04963265,8,2.52,2.8125,8,0,5,2.34,1.2358,3.453222023,2.251600064,2.871745887,3.494135594,0,1,0.5,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.131,0.009,0.004,3.126,10,8,3,0,0,0,0,0,0,36,2.079441542,2.397895273,2.197224577,1.386294361,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,7,1,0,2,4,1,3.5,1.555555556,0.375,0,0,0,0,0,0,0,0.5,0.155555556,0.046875,0,0,0,0,0,0,0,0.702430556,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,0,146.9243357,4,3.555348061,4.262679877,5.093750201,5.837730447,6.665683718,7.418780883,8.245121966,9.000976444,9.826552511,74.90662411,2.708050201,0,4.007333185,0,5.493061443,0,7.041411664,0,8.611593867,8.847216104,114.1408506,4.390032714,14.27506506,1.784383133,0,0,0,63,8,4.807,34,1.2278,2.115728773,2.940592732,3.483150921,4.039607182,5.232313993,0,0,0,0,71.2221278,87.331823,85.08575207,43.53259647,17.66410327,5.316365885,0,0,0,0,272.5498825,351.7650236,425.8101611,306.0325314,227.8379907,162.6399109,0,0,0,0,8.919363223,15.034845,20.9170714,24.18647133,27.62796807,35.1531132,0,0,0,0,2.081648384,2.816384767,3.652892859,3.01020965,2.613880005,2.326354323,0,0,0,0,176.77647,329.6995075,454.3505232,582.6750792,708.1227895,967.5472182,0,0,0,0,2.554006667,3.566333875,5.378081323,5.305411836,5.262181747,5.232313993,0,0,0,0,0.4321989,0.591022767,0.774424111,0.65397807,0.581882036,0.535788953,0,0,0,0,365.5889697,158.5222281,8.710041916,132.5246172,-57.46370746,-7.943168728,233.0643524,215.9859356,16.65321064,0.733946994,0.31824514,0.017486056,0.266053006,-0.115362658,-0.015946501,182.104833,78.96207565,4.338590221,66.01231246,-28.62345344,-3.956600267,0.069906388,0.149945248,1.110367255,8.544623402,498.1135869,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,802.7825626,28.33341777,9.293928139,1.356712851,1.205835205,402.2350976,350.6655414,175.5377837,1.147061944,2.291444549,1.997664172,4.005806409,3.220218461,6.42424645,0.994972244,5.020209962,6.639747311,3.146753005,33.39584926,5.779165731,8.175491935,12.12351992,15.87589566,7.307921636,6.848678346,1.605890969,1.126710556,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327401,0.172231541,11.19507196,2.520086018,0.198384417,0.791179373,0.828446203,1.079077926,0.085380733,0.01131149,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639356169,0.616509384,14.63444099,2.762175118,0.961711406,2.405323499,2.925947131,1.657705419,0.598086754,0.117866056,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639701459,2.907031473,31.65032007,5.429947728,7.381141141,11.18246914,14.61013113,6.681502245,6.127625593,1.430820678,1.00387882,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.639392825,0.969856243,17.31978142,3.054006229,1.742539166,3.720938774,4.655017803,2.260625367,1.207719227,0.256018195,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.639939952,4.099761049,40.29750171,7.242135323,11.46405312,15.88859003,20.95368588,9.905556565,9.866997258,2.34203757,1.643201455,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.089828701,5.15200951,1.26108368,21.23764515,3.989383164,3.224142371,5.84268694,7.252823959,3.679786561,2.365819604,0.518189813,0.363564458,2.59E-15,3.56E-51,9.43E-109,4.82E-188,4.75E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.232310161,1.571722687,1.031582922,0.553893589,0.269332792,0.494925825,0.487819114,0.472272603,5.83561577,10.03605345,21.11241501,0.330840383,1.455017542,2.529466781,0.994999333,0.543337743,0.621826143,0.244603567,0.302559108,0.194873012,0.131480342,4.067803857,4.431793224,9.867079162,0.432739214,0.628912462,2.81914177,1.232692723,0.744590252,0.587758991,0.257002411,0.376107664,0.299504578,0.246527139,4.796424745,6.49209201,13.87606881,0.381638487,0.922139381,3.215934427,1.558285398,1.020209206,0.555004541,0.268928205,0.489904897,0.479478868,0.46194868,5.79442903,9.882046673,20.78909464,0.332506812,1.431332445,2.943674118,1.334878993,0.831098655,0.576100731,0.261246569,0.410197152,0.351419973,0.306947737,5.109651766,7.485348477,15.86075981,0.364151097,1.068564862,3.283263549,1.613533025,1.066971913,0.550535044,0.270555946,0.510713156,0.514233391,0.505121608,5.963768487,10.52239857,22.13861526,0.325802567,1.530068155,3.223945742,1.562389465,1.022364074,0.555020253,0.268974066,0.492451654,0.482203964,0.463836146,5.808699282,9.930436029,20.88884333,0.332530379,1.438491763 +UMLRON0109,L,"2,2,3-Trimethylpentane",CCC(C)C(C)(C)C,11255,,"Sandia, UML","[1], [4]",C8H18,PubChem,,109.6,0,0.4696,0.22052416,31.6134,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1289.413615,1247.086518,705.420914,187.959744,18.289152,0,0,3461.958223,4376.887272,5892.91255,6542.707301,5420.034116,2682.356663,559.5073998,0,0,160.279036,159.125208,296.711548,379.704408,437.680712,367.587072,120.932352,0,0,26.63610648,34.55010896,49.80024258,58.14276159,54.10499216,32.03627372,8.003032287,0,0,3846.242925,3210.7269,6660.186019,8682.960304,10516.12215,9604.011958,3328.517736,0,0,37.80555556,44.44444444,66,87.33333333,96,66,18,0,0,44.61329874,48.14991518,30.70032417,23.09419478,11.19715737,3.480736,1.016064,0,0,150.5199227,198.9494215,140.3074417,121.1612463,86.03228755,49.67327153,31.08374443,0,0,6.968653739,7.232964,7.064560667,7.031563111,6.947312889,6.807168,6.718464,0,0,1.158091586,1.570459498,1.185720062,1.076717807,0.858809399,0.593264328,0.444612905,0,0,167.2279533,145.9421318,158.5758576,160.7955612,166.9225738,177.8520733,184.917652,0,0,1.643719807,2.02020202,1.571428571,1.617283951,1.523809524,1.222222222,1,0,0,0.031819436,-0.007326065,-7.18E-04,-0.005132311,-0.0185107,0.006219816,0.009557796,0,0,589.5388264,-58.58770946,-8.010038403,-215.5844622,-377.8449544,163.4047834,201.8529677,0,0,1096.272622,-108.9463475,-14.89500845,-400.8885132,-702.6188272,303.8581724,375.354213,0,0,0.115486609,-0.01147693,-0.001569112,-0.042231516,-0.074017233,0.032009875,0.039541611,0,0,4.900848691,-0.487040864,-0.066587618,-1.792158178,-3.14103307,1.358387409,1.678007976,0,0,26.62148787,-2.645613702,-0.361704998,-9.735031668,-17.06214149,7.378781965,9.114965957,0,0,3.311594203,-1.754568368,0.402016383,0.543793321,-1.784656585,0.029300567,0.90831758,0,0,0.001383454,-3.33E-04,-1.71E-05,-9.50E-05,-2.94E-04,1.15E-04,5.31E-04,0,0,25.63212289,-2.663077703,-0.1907152,-3.992304855,-5.997538958,3.026014508,11.21405376,0,0,47.66402704,-4.952106706,-0.354643058,-7.423861355,-11.1526798,5.627003192,20.85301183,0,0,0.005021157,-5.22E-04,-3.74E-05,-7.82E-04,-0.001174877,5.93E-04,0.002196756,0,0,0.213080378,-0.022138221,-0.001585419,-0.033188114,-0.049857668,0.025155322,0.093222665,0,0,1.157455995,-0.120255168,-0.008612024,-0.180278364,-0.270827643,0.13664411,0.506386998,0,0,0.143982357,-0.079753108,0.009571819,0.010070247,-0.028327882,5.43E-04,0.050462088,0,0,-0.240704067,-0.012361315,-0.068699657,-0.212381971,0.083256697,0.38381382,0,0,-0.103896104,-0.007440476,-0.155753968,-0.233985261,0.118055556,0.4375,0,0,-0.103896104,-0.007440476,-0.155753968,-0.233985261,0.118055556,0.4375,0,0,-0.103896104,-0.007440476,-0.155753968,-0.233985261,0.118055556,0.4375,0,0,-0.103896104,-0.007440476,-0.155753968,-0.233985261,0.118055556,0.4375,0,0,-0.103896104,-0.007440476,-0.155753968,-0.233985261,0.118055556,0.4375,0,0,-0.553908892,0.066479108,0.069940838,-0.196745511,0.003768539,0.350474106,0,0,1.779126246,1.045180029,1.15074343,1.215252463,0.578893642,1.97E-05,0,0,1.642857143,1.183248299,1.254960317,1.14739229,0.501984127,0,0,0,1.642857143,1.183248299,1.254960317,1.14739229,0.501984127,0,0,0,1.642857143,1.183248299,1.254960317,1.14739229,0.501984127,0,0,0,1.642857143,1.183248299,1.254960317,1.14739229,0.501984127,0,0,0,1.642857143,1.183248299,1.254960317,1.14739229,0.501984127,0,0,0,2.164113786,0.75132854,0.953440311,1.309332778,0.738147338,0,0,0,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36.66771569,18.2128261,27.50219345,36.49481319,5.213544742,18.21282612,-0.242063492,0.031648572,0.004521225,-2.417143579,25.31665866,3.616665523,2.262023837,0,11.89,12.11009426,-0.163409124,0.057468363,5.441367979,8.270756013,6,22,22,22,6,0,0,0,0,0,17.491312,3.547091456,3.006727816,2.625332469,2.333552793,1.853163973,1.373147991,0.818880303,0.083923071,1.933625663,1.614659685,1.400273545,1.249629723,0.899030164,0.579772508,0.29344402,0.083923071,3.572575547,3.049614047,2.683051633,2.405454588,1.937022925,1.473944507,0.950986794,0.270913902,1.876026464,1.530418028,1.298376168,1.134540686,0.770731171,0.437160388,0.128999822,0.270913902,3.685697279,3.235898148,2.928576466,2.704236987,2.28293488,1.882095956,1.467025567,0.943918427,1.708478401,1.272462707,0.975707696,0.76031856,0.347249146,0.043413613,0.441766602,0.943918427,3.591408314,3.081117918,2.725184981,2.457539916,1.997659662,1.546401872,1.044765816,0.399277246,1.839505092,1.475848305,1.231499507,1.058262671,0.685210023,0.341388863,0.0174233,0.399277246,3.741381865,3.32465606,3.042370063,2.838982085,2.437090457,2.059937866,1.683446735,1.207644823,1.656875508,1.189153554,0.867806618,0.631337262,0.199017248,0.215751764,0.654087056,1.207644823,3.556661354,3.149113765,2.852668766,2.61879123,2.081679667,1.600884837,1.130589446,0.575342466,1.861756535,1.392574014,1.093101619,0.892763832,0.572621593,0.250751474,0.100577264,0.575342466,0,0,0,0,0,4,1,2,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.569035594,0,0.23570226,0,1.276142375,0.707106781,0.23570226,1.276142375,0.707106781,0.23570226,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.6885,34.293,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,4,0,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,9.081018519,0,1.31712963,0,0,0,1.768518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.240740741,0,1.31712963,0,0,0,0.865740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.296296296,0,1.31712963,0,0,0,0.902777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.16666667,1.738095238,0.2,2.296296296,0.2,0.865740741,5.309476852,0.467592593,0.296296296,2.162037037,0.467592593,0.296296296,2.162037037,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.57143,0.28571,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.55695,1.07956,7.55695,0,0,3.18073,0.45439,3.18073,0,0,0.23327,0.03332,0.23327,0.03332,0,6,0,0,0,0,0,0,1,0.886540893,1.306170652,2.272499456,2.782731521,2.782982088,2.278459357,20.39044053,30.04192499,52.26748748,64.00282497,64.00858803,52.4045652,0.195982923,0.288748262,0.502369477,0.615163791,0.615219182,0.503687001,3.637021063,3.217391304,2.2510625,1.740830436,1.740579868,2.2451026,0.19880132,0.292900702,0.509593968,0.624010358,0.624066546,0.510930439,6.634953582,11.67051069,15.15114862,15.66537327,14.82033975,7.826158094,27.76507516,21.21742031,18.72159455,18.5427486,15.32960231,11.000393,7,3.06122449,2.666666667,7,0,5,2.23,1.0949,1.944161297,1.941967087,4.930998067,0,0,1.414213562,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,2.811,7,6,2,0,0,0,0,0,0,28,1.945910149,2.079441542,1.945910149,1.098612289,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,2,1.111111111,0.25,0,0,0,0,0,0,0,0.333333333,0.158730159,0.041666667,0,0,0,0,0,0,0,0.533730159,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,0,129.6283511,3.807354922,3.295836866,3.970291914,4.691347882,5.398162702,6.120297419,6.834108739,7.556427969,8.272059622,8.994296558,68.13282967,2.564949357,0,3.713572067,0,5.056245805,0,6.463029457,0,7.890956716,8.168486417,100.1252005,4.353269587,12.50524286,1.786463266,0,0,0,46,6,4.201,26,1.224818182,2.110657079,2.894505449,3.511633513,4.185783688,5.352201744,0,0,0,0,69.72220731,74.05869283,74.56712261,45.48046627,16.59196324,5.438179512,0,0,0,0,268.787596,322.8305105,372.2390591,323.9122253,223.1749698,166.3664711,0,0,0,0,8.893455721,14.97231911,20.39963401,24.46277228,28.56611771,35.95857474,0,0,0,0,2.059771149,2.666275448,3.246447642,3.161677674,2.605250183,2.379657965,0,0,0,0,176.6115071,330.2656746,462.0932757,581.1491615,738.6527364,989.7165796,0,0,0,0,2.523888889,3.443557609,4.803360557,5.514555883,5.298299459,5.352201744,0,0,0,0,0.427911136,0.562382111,0.691176692,0.685527963,0.58170642,0.548065459,0,0,0,0,362.7794696,141.3189035,8.686955574,130.4490063,-50.81574917,-7.82937436,232.3304633,192.1346527,16.51632993,0.735520124,0.286518136,0.017612437,0.264479876,-0.103026795,-0.015873727,178.9331648,69.70250739,4.284653857,64.34116453,-25.06377451,-3.861670382,0.076653362,0.166681099,1.217533687,9.498315139,493.2284758,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,629.2361872,25.08458067,8.569152997,1.356712851,1.205835205,381.1611578,287.3251537,129.8528154,1.326584717,2.935332259,2.212698684,3.89945406,3.220218461,6.42424645,0.994972244,4.462408855,5.691170425,2.670859423,23.44903725,6.568018348,4.460822489,7.840284493,15.46295756,5.403743144,5.57390701,0.884220332,1.126710553,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851779,0.160901199,7.713112089,1.533703778,0.102791063,0.6539462,0.741540241,1.016461953,0.07636488,0.006228704,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690873702,0.561082962,9.930973606,1.884584279,0.51069496,1.816010774,2.720038211,1.391533131,0.504429319,0.064899514,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691135664,2.477525131,22.13398855,6.020416409,4.023630434,7.292506695,14.1985964,4.951033146,4.991801439,0.787825132,1.003878818,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690901554,0.869096106,11.74865753,2.326388017,0.93372398,2.704239123,4.38299142,1.803544999,1.004375125,0.140967789,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691316452,3.431738913,28.71740714,8.867368033,6.27302031,9.990898028,20.55662075,7.288983235,8.007985494,1.289548769,1.643201451,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.738867285,4.639785482,1.180010206,14.29610882,3.50990534,1.78101957,4.220876504,7.072385979,2.932730792,2.004840631,0.292698288,0.372962547,2.66E-15,3.65E-51,9.67E-109,4.94E-188,4.87E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.409035317,1.704461349,0.582939676,0.598450525,0.299215377,0.518520097,0.512568309,0.476247191,5.696436342,8.791429024,17.87507654,0.397675787,1.507335596,2.689902903,1.117151704,0.179997962,0.674659503,0.280194877,0.322129938,0.218919599,0.045698738,3.987052569,3.690291683,8.218243458,0.511989254,0.586748274,2.987733602,1.360420251,0.346923927,0.636354442,0.289754572,0.397779233,0.325459557,0.16928563,4.695077779,5.573051905,11.67822741,0.454531663,0.89252442,3.39241501,1.690890645,0.573631075,0.599691171,0.298905702,0.513451681,0.504376318,0.461220994,5.656936731,8.652144896,17.59954581,0.399536756,1.479048993,3.115148846,1.464478904,0.418315533,0.623286154,0.293016311,0.432596856,0.377539683,0.245848303,4.997943284,6.477799193,13.38412713,0.434929231,1.055984842,3.460708812,1.746652595,0.611879594,0.594701063,0.300151273,0.534438361,0.538463761,0.5244895,5.819241002,9.230934212,18.74877689,0.392051595,1.597391623,3.402482445,1.696238688,0.573949136,0.599802612,0.29901944,0.516598301,0.507803524,0.461558273,5.672670269,8.697828948,17.68300209,0.399703918,1.485960099 +UMLRON0110,L,"2,3-Dimethylpentane",CCC(C)C(C)C,11260,,"Sandia, UML",[1],C7H16,PubChem,,91.1,0,1.2792,1.63635264,37.0709,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1604.188161,1631.4554,1098.934372,339.341184,36.578304,0,0,3947.642614,5029.877407,7031.587075,8276.550291,7433.630806,4245.698526,1119.0148,0,0,181.25648,180.900988,339.464772,445.008032,563.450512,493.30944,241.864704,0,0,30.31423229,39.56609758,58.49435701,72.18430316,72.14804988,48.06648287,16.00606457,0,0,4342.872585,3643.766351,7589.85513,9976.611746,13474.03246,12550.98844,6657.035473,0,0,43.33333333,50.88888889,76.11111111,106.3333333,125,96,36,0,0,45.09238923,49.11105724,33.42058669,25.89611746,13.56709101,4.713072,1.016064,0,0,151.8324082,201.1950963,146.4913974,131.3738141,91.77321982,58.96803508,31.08374443,0,0,6.971403077,7.23603952,7.07218275,7.063619556,6.95617916,6.85152,6.718464,0,0,1.165932011,1.582643903,1.218632438,1.14578259,0.890716665,0.66759004,0.444612905,0,0,167.033561,145.7506541,158.1219819,158.3589166,166.3460797,174.3192839,184.917652,0,0,1.666666667,2.035555556,1.585648148,1.687830688,1.543209877,1.333333333,1,0,0,0.035356454,-0.008760398,0.003804151,-0.009513052,-0.015444237,-0.007079366,0.019314675,0,0,670.5194345,-58.02572029,75.2185263,-320.9323789,-375.3762646,-68.77122405,412.6273443,0,0,1246.859521,-107.9013047,139.8720616,-596.7874628,-698.0281931,-127.8830278,767.2981665,0,0,0.131350154,-0.01136684,0.014734793,-0.06286845,-0.073533633,-0.013471811,0.080830864,0,0,5.574042193,-0.482369036,0.625293195,-2.667917631,-3.1205108,-0.571696635,3.430179811,0,0,30.27828566,-2.620236259,3.396602558,-14.49217091,-16.95066419,-3.105465196,18.63279117,0,0,3.948717949,-2.318211703,1.12886259,-0.08086785,-0.917159763,-1.704142012,1.917159763,0,0,0.001359864,-3.50E-04,7.93E-05,-1.51E-04,-1.91E-04,-9.83E-05,5.37E-04,0,0,25.78920902,-2.321028812,1.567052631,-5.094164744,-4.634274872,-0.95515589,11.46187067,0,0,47.95613541,-4.316052187,2.914001283,-9.472816871,-8.617632014,-1.776153163,21.31383796,0,0,0.005051929,-4.55E-04,3.07E-04,-9.98E-04,-9.08E-04,-1.87E-04,0.002245302,0,0,0.214386238,-0.019294761,0.013026942,-0.042347899,-0.038524825,-0.007940231,0.095282773,0,0,1.164549448,-0.10480945,0.070762553,-0.230034459,-0.209267459,-0.043131461,0.517577533,0,0,0.151873767,-0.092728468,0.023517971,-0.001283617,-0.01132296,-0.023668639,0.053254438,0,0,-0.257684617,0.058280223,-0.111041158,-0.140212289,-0.072304702,0.394538657,0,0,-0.09,0.060763889,-0.197530864,-0.179698217,-0.037037037,0.444444444,0,0,-0.09,0.060763889,-0.197530864,-0.179698217,-0.037037037,0.444444444,0,0,-0.09,0.060763889,-0.197530864,-0.179698217,-0.037037037,0.444444444,0,0,-0.09,0.060763889,-0.197530864,-0.179698217,-0.037037037,0.444444444,0,0,-0.09,0.060763889,-0.197530864,-0.179698217,-0.037037037,0.444444444,0,0,-0.610562771,0.154852092,-0.008451866,-0.074555075,-0.155844156,0.350649351,0,0,1.79331324,0.958682833,1.257129627,1.145383691,0.863543717,0,0,0,1.625,1.128472222,1.36133157,1.114540466,0.752314815,0,0,0,1.625,1.128472222,1.36133157,1.114540466,0.752314815,0,0,0,1.625,1.128472222,1.36133157,1.114540466,0.752314815,0,0,0,1.625,1.128472222,1.36133157,1.114540466,0.752314815,0,0,0,1.625,1.128472222,1.36133157,1.114540466,0.752314815,0,0,0,2.222943723,0.64484127,1.105442177,1.14638448,1.055194805,0,0,0,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,47.4718515,23.57967575,35.53737955,47.2374765,5.904684562,23.57967575,-0.3125,3.33E-16,4.16E-17,-28.51055062,3000010.151,375001.2689,11.93130098,0,11.89,12.11011416,-0.163300419,0.057616875,6.064293842,8.899505149,7,25,25,25,7,0,0,0,0,0,19.677726,3.591951482,3.112599877,2.66223033,2.333552793,2.333552793,1.72757817,1.162837791,0.754694535,1.955119619,1.667247237,1.416069281,1.249629723,1.249629723,0.766521467,0.440344289,0.263051868,3.615591378,3.150713835,2.717732252,2.405454588,2.405454588,1.811000298,1.269690916,0.891155794,1.900329579,1.58857667,1.316029648,1.134540686,1.134540686,0.639289243,0.290000277,0.096175644,3.720996265,3.318028628,2.955102187,2.704236987,2.704236987,2.155018735,1.702702127,1.421438811,1.742324782,1.351217995,1.000891147,0.76031856,0.76031856,0.218931367,0.218324093,0.485265005,3.633084654,3.178805544,2.758321103,2.457539916,2.457539916,1.871324488,1.346550641,0.987848484,1.865714252,1.537907807,1.250496515,1.058262671,1.058262671,0.55445731,0.188893887,0.01719833,3.77319421,3.398793114,3.065768217,2.838982085,2.838982085,2.308177628,1.891182114,1.642628118,1.694062871,1.275766962,0.896165167,0.631337262,0.631337262,0.071596323,0.40108138,0.702635479,3.585679854,3.228626935,2.873197549,2.612600818,2.612600818,1.920880507,1.392442227,1.076301453,1.901729854,1.471882946,1.122645664,0.898315104,0.898315104,0.472596472,0.101567168,0.136150722,0,0,0,0,0,5,0,3,0,0,0,0,0,0,0,0,0,0,0,0.859116756,0,0.384900179,0,0.859116756,0,0.384900179,0,1.821367205,1.539600718,0.962250449,1.821367205,1.539600718,0.962250449,6.732050808,3.553418013,3.347150628,2.103133692,0.769800359,0,0,0,0.841506351,0.507631145,0.371905625,0.262891712,0.19245009,0,0,0,6.732050808,3.553418013,3.347150628,2.103133692,0.769800359,0,0,0,0.841506351,0.507631145,0.371905625,0.262891712,0.19245009,0,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,2.9345,38.84,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,43,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,11.44444444,0,0,0,0,0,2.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.282407407,0,0,0,0,0,0.842592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.314814815,0,0,0,0,0,0.87037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,1.75,0.2,2.314814815,0.2,0.842592593,6.030111111,0.490740741,0.314814815,2.888888889,0.490740741,0.314814815,2.888888889,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.625,0.375,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.55523,1.1944,9.55523,0,0,3.5534,0.44417,3.5534,0,0,0.3606,0.04508,0.3606,0.04508,0,7,0,0,0,0,0,0,1,0.89049164,1.184163641,1.740136375,1.77301149,1.902043713,1.574415253,23.15278265,30.78825467,45.24354576,46.09829873,49.45313654,40.93479657,0.189448582,0.251926141,0.370207147,0.377201197,0.404652294,0.334950632,3.809948078,3.516276077,2.960303343,2.927428228,2.798396005,3.126024465,0.191756937,0.254995761,0.374717972,0.381797243,0.40958282,0.339031871,6.648700044,10.17276405,11.8977875,11.12758867,11.59979807,6.153459083,31.72521615,26.80381852,26.16837625,27.36150411,22.46306766,17.79661485,8,3.111111111,2.8125,8,0,5,2.34,1.2358,3.221970075,0,8.480997324,0,0,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.139,0.124,0.01,-0.005,3.082,9,8,4,0,0,0,0,0,0,36,2.079441542,2.302585093,2.197224577,1.609437912,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,7,1,0,2,4,1,2.5,1.333333333,0.5,0,0,0,0,0,0,0,0.357142857,0.148148148,0.0625,0,0,0,0,0,0,0,0.567791005,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,0,146.9243357,4,3.496507561,4.204692619,4.976733742,5.713732806,6.487684018,7.229113878,8.004031508,8.746239288,9.521421538,73.38015696,2.708050201,0,3.931825633,0,5.332718793,0,6.801283034,0,8.297792626,8.554681636,114.1408506,4.390032714,14.33508904,1.79188613,0,0,0,65,8,4.709,32,1.2278,2.116269588,2.915232297,3.514234478,4.183463302,4.602106348,0,0,0,0,71.2221278,80.91086417,83.76920885,52.57707077,20.23817261,4.676034585,0,0,0,0,272.5498825,338.9957227,405.2777769,342.3104382,250.6217732,143.0506976,0,0,0,0,8.919363223,15.03189788,20.63719263,24.51392231,28.68184089,30.91908583,0,0,0,0,2.081648384,2.755510686,3.472185601,3.268709371,2.824274031,2.046155872,0,0,0,0,176.77647,329.9425416,458.4896421,579.3239784,727.7641558,851.0107003,0,0,0,0,2.542551111,3.495429444,5.046591668,5.593293361,5.624944824,4.602106348,0,0,0,0,0.4321989,0.579653059,0.736653075,0.706441499,0.6267345,0.47125569,0,0,0,0,374.0838362,163.4194675,8.966252161,105.4473283,-46.06493138,-6.117182888,268.6365079,209.4843989,15.08343505,0.780103284,0.340790087,0.018697955,0.219896716,-0.096062435,-0.012756591,179.3848576,78.36472757,4.299597341,50.56528016,-22.08957019,-2.933379834,0.06890302,0.142648544,1.012119214,6.814392482,479.5311646,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,795.6535896,28.2073322,9.266335254,1.229211372,1.011517918,455.1651294,307.5635354,187.0005608,1.479906026,2.434030826,1.644719856,4.043186758,3.22022378,6.424248771,0.99496967,5.020218391,6.682925857,3.075208294,30.0765073,6.811684238,3.739997043,10.36730004,22.56842953,7.993492681,6.855421146,1.605937463,1.126710556,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421311494,6.642958761,0.181761173,10.80093783,2.032005543,0.169641049,0.845166273,1.149881212,1.08390685,0.085428216,0.011311817,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.360045288,6.651073579,0.63703648,13.43827702,2.371957712,0.64255922,2.347647934,4.12185993,1.708023462,0.59858162,0.117869469,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.7386762,6.680463775,2.850195102,28.43755888,6.294192446,3.430904925,9.628283833,20.76192645,7.292333973,6.133633302,1.430862103,1.00387882,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.004456949,6.656657009,0.989753637,15.63389782,2.794071409,1.043175107,3.510052593,6.577720205,2.369921916,1.208794159,0.256025607,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.062642864,6.692059238,3.962693228,36.66585554,8.983061505,4.987201836,13.28075925,29.8194448,10.90539623,9.876831019,2.342105377,1.643201455,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.09636808,5.258962225,1.301760281,18.62681102,3.769539692,1.823588774,5.347271606,10.64121537,3.94758552,2.396269649,0.524392281,0.367905488,2.62E-15,3.60E-51,9.54E-109,4.88E-188,4.81E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.201630821,2.138835353,0.5775025,0.541001651,0.361413767,0.489947275,0.527787822,0.486640039,5.917968674,9.931893753,19.80446163,0.353623127,1.504375135,2.521880782,1.465779915,0.173071123,0.606114715,0.352288967,0.303987654,0.247746037,0.043959465,4.16073182,4.386671113,9.187164181,0.437605523,0.595693156,2.802046377,1.743168211,0.339779506,0.573602818,0.356841416,0.37528178,0.350468208,0.169000674,4.884994094,6.428808937,12.97343502,0.395666351,0.894750661,3.185793906,2.123152879,0.568081529,0.542075644,0.361263,0.485112199,0.520070339,0.470947896,5.877028313,9.779842108,19.4993327,0.355007965,1.476130434,2.922486837,1.862423109,0.411437443,0.562411752,0.358410046,0.408236629,0.400100005,0.247548071,5.19634739,7.411598135,14.84736127,0.381232697,1.055884705,3.250907452,2.187631819,0.606815509,0.537752964,0.361869882,0.505144994,0.552165008,0.537100221,6.04535478,10.41197856,20.77287695,0.349434269,1.594410223,3.193883018,2.130491979,0.568233896,0.542015103,0.361553264,0.487578843,0.523681574,0.471113904,5.892608893,9.830032499,19.58921289,0.355352551,1.482374321 +UMLRON0111,L,"2,3,4-Trimethylpentane",CC(C)C(C)C(C)C,11269,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C8H18,PubChem,,100.2,0,2.5755,6.63320025,38.6525,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1531.545633,1547.636168,1058.463172,333.2448,36.578304,0,0,3885.475125,4800.404174,6343.167377,7246.209404,6706.817662,4059.196059,1119.0148,0,0,167.819552,166.665724,296.75898,328.399136,441.719824,452.998656,241.864704,0,0,29.42500648,37.33900896,51.81309115,60.61229535,62.80715478,45.39880544,16.00606457,0,0,3973.037281,3337.521256,6671.119844,7023.782288,10209.10493,11441.48253,6657.035473,0,0,43.33333333,51.66666667,73.22222222,90.66666667,107,90,36,0,0,48.76541633,52.3287937,36.46537221,33.64426452,16.80100273,5.049163636,1.016064,0,0,161.8947969,208.713225,151.0277947,157.5262914,106.4574232,61.50297059,31.08374443,0,0,6.992481333,7.246335826,7.06569,7.139111652,7.011425778,6.863616,6.718464,0,0,1.226041937,1.623435172,1.233645027,1.317658595,0.996938965,0.687860689,0.444612905,0,0,165.54322,145.1096198,158.8361868,152.6909193,162.0492846,173.3557959,184.917652,0,0,1.805555556,2.246376812,1.743386243,1.971014493,1.698412698,1.363636364,1,0,0,0.035512751,1.14E-04,0.008014436,-0.024868276,-0.023270707,-9.91E-04,0.023245231,0,0,645.6853813,-53.80711511,201.7766817,-349.7462482,-524.6193723,-80.71067267,484.264036,0,0,1200.679538,-100.0566282,375.2123557,-650.3680833,-975.5521249,-150.0849423,900.5096538,0,0,0.126485333,-0.010540444,0.039526667,-0.068512889,-0.102769333,-0.015810667,0.094864,0,0,5.367596186,-0.447299682,1.677373808,-2.907447934,-4.361171901,-0.670949523,4.025697139,0,0,29.15686767,-2.429738973,9.111521147,-15.79330332,-23.68995498,-3.644608459,21.86765075,0,0,4.148148148,-1.929012346,2.092592593,-1.191358025,-2.25,-1.574074074,2.777777778,0,0,0.001479698,4.95E-06,1.91E-04,-5.41E-04,-3.69E-04,-1.50E-05,6.46E-04,0,0,26.90355756,-2.339439787,4.804206706,-7.603179309,-8.327291624,-1.22288898,13.45177878,0,0,50.0283141,-4.350288182,8.933627517,-14.13843659,-15.48495436,-2.274014277,25.01415705,0,0,0.005270222,-4.58E-04,9.41E-04,-0.001489411,-0.001631259,-2.40E-04,0.002635111,0,0,0.223649841,-0.019447812,0.039937472,-0.06320539,-0.069224951,-0.010165902,0.111824921,0,0,1.214869486,-0.105640825,0.21694098,-0.343332681,-0.376031031,-0.05522134,0.607434743,0,0,0.172839506,-0.083870102,0.049823633,-0.025899087,-0.035714286,-0.023849607,0.077160494,0,0,0.00334634,0.128958679,-0.365354752,-0.249629527,-0.010146883,0.436373409,0,0,-0.086956522,0.178571429,-0.282608696,-0.30952381,-0.045454545,0.5,0,0,-0.086956522,0.178571429,-0.282608696,-0.30952381,-0.045454545,0.5,0,0,-0.086956522,0.178571429,-0.282608696,-0.30952381,-0.045454545,0.5,0,0,-0.086956522,0.178571429,-0.282608696,-0.30952381,-0.045454545,0.5,0,0,-0.086956522,0.178571429,-0.282608696,-0.30952381,-0.045454545,0.5,0,0,-0.485248447,0.288265306,-0.14984472,-0.206632653,-0.137987013,0.446428571,0,0,1.367281663,1.100673576,1.726577575,1.141776942,0.708976255,0.004924526,0,0,1.5,0.924107143,1.5,1.300595238,0.784090909,0,0,0,1.5,0.924107143,1.5,1.300595238,0.784090909,0,0,0,1.5,0.924107143,1.5,1.300595238,0.784090909,0,0,0,1.5,0.924107143,1.5,1.300595238,0.784090909,0,0,0,1.5,0.924107143,1.5,1.300595238,0.784090909,0,0,0,1.982142857,0.542729592,1.299107143,1.290816327,1.008116883,0,0,0,29.9519137,14.97595685,21.1419228,29.9519137,3.743989212,14.97595777,-1.07E-14,0.093201439,0.01165018,-1.898393698,29.24729855,3.655912318,2.70062977,29.9519137,14.97595685,21.1419228,29.9519137,3.743989212,14.97595777,-1.07E-14,0.093201439,0.01165018,-1.898393698,29.24729855,3.655912318,2.70062977,29.9519137,14.97595685,21.1419228,29.9519137,3.743989212,14.97595777,-1.07E-14,0.093201439,0.01165018,-1.898393698,29.24729855,3.655912318,2.70062977,29.9519137,14.97595685,21.1419228,29.9519137,3.743989212,14.97595777,-1.07E-14,0.093201439,0.01165018,-1.898393698,29.24729855,3.655912318,2.70062977,29.9519137,14.97595685,21.1419228,29.9519137,3.743989212,14.97595777,-1.07E-14,0.093201439,0.01165018,-1.898393698,29.24729855,3.655912318,2.70062977,29.9519137,14.97595685,21.1419228,29.9519137,3.743989212,14.97595777,-1.07E-14,0.093201439,0.01165018,-1.898393698,29.24729855,3.655912318,2.70062977,36.86849545,18.35508106,26.85532019,36.74974545,4.593718182,18.35508109,-0.158333333,0.185443518,0.02318044,-1.348003945,24.71757382,3.089696728,2.566011585,0,11.89,12.11011416,-0.17134312,0.05119783,6.1625,8.955005645,7,23,22,22,6,1,1,0,0,1,17.491312,3.647315261,3.076082947,2.598503701,2.333552793,2.333552793,1.665348817,1.032963379,0.083923071,1.932787121,1.628756031,1.375964296,1.249629723,1.249629723,0.607548492,0.139465883,0.083923071,3.663785966,3.113498505,2.655823718,2.405454588,2.405454588,1.73956501,1.132120857,0.270913902,1.885422716,1.549587777,1.273175685,1.134540686,1.134540686,0.487361073,0.025591198,0.270913902,3.740825106,3.278955332,2.901102362,2.704236987,2.704236987,2.04622848,1.528057366,0.943918427,1.75713853,1.31197897,0.948392105,0.76031856,0.76031856,0.10350369,0.401518355,0.943918427,3.676162167,3.141145858,2.697759789,2.457539916,2.457539916,1.79324141,1.203223593,0.399277246,1.856231902,1.498689345,1.205754265,1.058262671,1.058262671,0.408472013,0.05472369,0.399277246,3.781180752,3.359415287,3.015361049,2.838982085,2.838982085,2.183801392,1.694727824,1.207644823,1.720574067,1.236994104,0.840211351,0.631337262,0.631337262,0.02832406,0.565548448,1.207644823,3.644982069,3.171136371,2.793847321,2.571572866,2.571572866,1.831363779,1.226325614,0.545454545,1.87413922,1.443701663,1.095476817,0.935209229,0.935209229,0.359238118,0.104900665,0.545454545,0,0,0,0,2,5,0,1,0,0,0,0,0,0,0,0,0,0,0,0.859116756,0,0.384900179,0,0.683012702,0,0.288675135,0,1.821367205,1.539600718,0.962250449,1.404700538,1.154700538,0.721687836,6.732050808,3.553418013,3.347150628,2.103133692,0.769800359,0,0,0,0.841506351,0.507631145,0.371905625,0.262891712,0.19245009,0,0,0,6.577350269,3.193375673,2.83771324,1.654700538,0.577350269,0,0,0,0.822168784,0.456196525,0.315301471,0.206837567,0.144337567,0,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,1.12E-17,1.40E-18,-31.22250001,3000010.529,375001.3161,11.93130108,43,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,4,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,1,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.976851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.777083333,1.161111111,0,0,0,0,0,0,0,0,0,0,10.96759259,0,0,0,0,0,0.722222222,0,0,2.976851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.458333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.243402778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.162037037,0,0,0,0,0,0.722222222,0,0,1.458333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.518518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290277778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.224537037,0,0,0,0,0,0.722222222,0,0,1.518518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66666667,1.833333333,0.290277778,2.224537037,0.013888889,0.722222222,4.625208333,0.611111111,0.224537037,1.935185185,0.611111111,0.224537037,1.935185185,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.625,0.375,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,8.50671,1.06334,9.55523,1.04852,0.13107,2.95453,0.36932,3.5534,0.59886,0.07486,0.3606,0.04508,0.3606,0.04508,0,7,0,0,0,0,0,0,0.75,0.918295834,1.553508855,2.468546354,2.468546354,2.56408294,1.996867188,22.03910002,37.28421252,59.2451125,59.2451125,61.53799056,47.9248125,0.200284263,0.338826949,0.538400555,0.538400555,0.559237494,0.435525304,3.666666667,3.031453646,2.116416147,2.116416147,2.020879561,2.588095313,0.200284263,0.338826949,0.538400555,0.538400555,0.559237494,0.435525304,6.73287657,14.35543282,16.1936451,16.1936451,15.45174157,6.74821942,31.59900002,21.30576563,21.74047604,21.74047604,18.36292902,17.65589011,8,3.111111111,2.8125,8,2,5,2.34,1.1928,3.221970075,0,8.480997324,0,0,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.117,0.084,0.14,0.177,3.432,9,8,4,0,0,0,0,0,0,36,2.197224577,2.63905733,2.708050201,2.197224577,0,0,0,0,0,0,3.951243719,1.416666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,6,0.857142857,0,2,4,1,2.5,1.333333333,0.5,0,0,0,0,0,0,0,0.357142857,0.148148148,0.0625,0,0,0,0,0,0,0,0.567791005,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,1.12E-17,1.40E-18,-31.22250001,3000010.529,375001.3161,11.93130108,0,144.287877,4,3.496507561,4.204692619,4.976733742,5.713732806,6.487684018,7.229113878,8.004031508,8.746239288,9.521421538,73.38015696,2.708050201,0,3.931825633,0,5.332718793,0,6.801283034,0,8.297792626,8.554681636,112.1252005,4.671883355,14.33508904,1.79188613,0,0,0,65,8,3.402,32,1.218887483,2.104074828,3.05505261,3.741536333,4.425470617,4.886048203,0,0,0,0,75.26261604,90.39738753,113.3389135,68.45571894,22.91632927,4.964537682,0,0,0,0,281.2198653,356.7759398,508.7799528,419.6517017,276.4893429,151.8766736,0,0,0,0,8.869201485,14.95495046,21.86220981,26.3034747,30.39529587,32.82673896,0,0,0,0,2.124313109,2.833588667,4.185569694,3.876644599,3.078570274,2.172400085,0,0,0,0,174.5853241,327.8624863,462.905665,600.9628904,765.5429133,903.5165614,0,0,0,0,2.820267705,3.892386618,6.175260568,6.535255246,6.086252154,4.886048203,0,0,0,0,0.440183131,0.593860529,0.880978438,0.832446531,0.681691731,0.500331336,0,0,0,0,317.584125,134.0856781,8.374240916,49.40583144,-20.85940037,-2.710400774,268.1782935,154.9450785,11.08464169,0.865375522,0.36536607,0.02281872,0.134624478,-0.056839159,-0.00738549,116.5501842,49.20809717,3.073262309,18.13144393,-7.65519043,-0.994689862,0.080587248,0.181132674,1.715010293,0.95129518,366.9899564,0,1,0,447.8132937,21.16159951,7.650661618,608.2378051,24.66247768,8.472751521,784.3677304,28.00656584,9.222314023,1.075203359,1.028380871,474.1501636,329.0889956,194.7979056,1.440796168,2.434061918,1.689386724,4.1821911,3.559932036,6.663912686,0.871921323,6.618353133,5.661225477,3.150197409,15.04192697,11.29687732,9.714754684,10.71502962,12.32977496,13.44622725,4.280124855,3.810036139,0.087700666,1.24E-05,4.38E-31,2.97E-78,3.89E-147,9.82E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555434827,5.63202176,0.122184021,6.236222877,3.02022454,0.665746808,3.278051271,1.034254248,0.674378332,0.034938186,0.051495891,6.18E-04,8.75E-08,3.08E-33,2.09E-80,2.74E-149,6.92E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,1.79300571,5.633973354,0.488118093,7.101211714,4.052094874,2.072541686,4.66307811,2.611332751,1.955115631,0.326450879,0.342995245,0.006436733,9.12E-07,3.21E-32,2.18E-79,2.85E-148,7.21E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,6.247185619,5.658019215,2.875622984,14.17298059,10.55755975,9.005017158,10.21268542,11.38052448,12.19515365,3.816814396,3.411654507,0.078139714,1.11E-05,3.90E-31,2.65E-78,3.47E-147,8.75E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,2.642559324,5.636503568,0.814188327,7.971861091,4.955687936,3.168996615,5.653351707,3.910277618,3.22809846,0.697300667,0.684345247,0.013981444,1.98E-06,6.97E-32,4.74E-79,6.20E-148,1.57E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,7.992619374,5.674707341,4.268104653,18.63378403,14.29836781,12.51945132,12.62841458,16.13707433,18.61111987,6.226526683,5.476140682,0.127903179,1.81E-05,6.38E-31,4.33E-78,5.67E-147,1.43E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,3.864505121,4.93544318,1.203042011,9.278472246,6.385170814,4.58909189,6.867618626,5.853618265,5.297580181,1.29197386,1.229002885,0.02609276,3.70E-06,1.30E-31,8.84E-79,1.16E-147,2.92E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,3.662359126,2.404396402,0.580375597,0.550968389,0.361719418,0.557967463,0.548889473,0.401463791,6.647131125,12.32675997,24.08454111,0.36903171,1.508320727,2.713775635,1.515960257,0.223169041,0.609439383,0.340442987,0.306842094,0.218286064,0.059384764,4.452904933,5.057922112,10.42893913,0.424823555,0.584512923,3.090437782,1.868879232,0.36506334,0.580431445,0.351004081,0.397642677,0.331713436,0.158895546,5.324380355,7.586119824,15.01898008,0.397153289,0.888251658,3.638866789,2.38240721,0.571534268,0.551944883,0.361364553,0.550848473,0.538903569,0.389332007,6.592808267,12.1106269,23.65821575,0.369964154,1.47908405,3.258368863,2.026163337,0.42830062,0.570359569,0.354668761,0.441909718,0.38986826,0.218694856,5.712832819,8.865355944,17.40582411,0.387542494,1.050472834,3.735909775,2.473236828,0.608054889,0.548012228,0.362793564,0.580551486,0.580742885,0.440645922,6.817201491,13.01529158,25.45079233,0.366208688,1.601940293,3.643122946,2.386794811,0.571533991,0.551866936,0.361556049,0.552115605,0.540891102,0.389313578,6.601451748,12.1416899,23.71285085,0.370134477,1.482320284 +UMLRON0112,L,"2,3,4-trimethyl-2-pentene",CC(C)C(=C(C)C)C,11270,,UML,[1],C8H16,PubChem,,96.6,0,1.2048,1.45154304,35.5192,22.457102,0,0,22,8,14,0,7,0,1,0,0,0,0,0,0,0,1280.041744,1227.247947,1624.297177,1704.94348,983.599012,302.76288,36.578304,0,0,3616.181511,4450.143542,6008.341344,6425.169835,5104.608181,3126.683726,1119.0148,0,0,160.193824,154.923828,281.590324,354.919936,385.349008,251.444736,241.864704,0,0,26.39008467,33.66236034,47.58013244,51.87000289,43.83716998,32.0604183,16.00606457,0,0,3661.858907,3057.825133,6169.464833,7691.117356,8692.784897,5893.952969,6657.035473,0,0,85.33333333,53.44444444,81.11111111,139.3333333,143,60,36,0,0,58.18371564,58.44037843,41.64864556,35.51965583,19.28625514,8.41008,1.016064,0,0,164.3718869,211.9115972,154.0600345,133.8577049,100.0903565,86.85232572,31.08374443,0,0,7.281537455,7.377325143,7.220264718,7.394165333,7.555862902,6.984576,6.718464,0,0,1.199549303,1.60296954,1.220003396,1.08062506,0.859552353,0.890567175,0.444612905,0,0,166.4481321,145.6107206,158.191406,160.2316116,170.4467627,163.7209158,184.917652,0,0,3.878787879,2.544973545,2.07977208,2.902777778,2.803921569,1.666666667,1,0,0,0.130461031,-0.055451428,-0.019467619,0.07642928,-0.065913561,-0.021087707,0.02026052,0,0,687.3645011,-46.5210804,169.5222392,-141.2197929,-480.4544085,-474.7271691,629.7179611,0,0,1066.90404,-96.33311012,158.1418275,-501.8169853,-163.6442419,-899.238788,969.4392777,0,0,1.085692364,-0.003217983,0.146198083,0.014169388,-1.021738479,-0.018888595,0.340631405,0,0,4.734521863,-0.459492824,0.259166785,-3.017685834,1.062849206,-4.022745825,3.81064756,0,0,26.12162368,-2.544279046,0.668217023,-17.74619716,8.504461302,-21.82016781,19.87715385,0,0,34.82828283,-2.386593205,1.955922865,4.071625344,-27.79889807,-2.809917355,9.553719008,0,0,0.005930047,-0.002640544,-4.99E-04,0.001592277,-0.001292423,-5.86E-04,5.63E-04,0,0,31.24384096,-2.215289543,4.346724083,-2.942079019,-9.420674677,-13.18686581,17.49216559,0,0,48.49563818,-4.587290958,4.054918654,-10.45452053,-3.208710625,-24.97885522,26.92886883,0,0,0.049349653,-1.53E-04,0.003748669,2.95E-04,-0.020034088,-5.25E-04,0.009461983,0,0,0.215205539,-0.021880611,0.006645302,-0.062868455,0.020840181,-0.11174294,0.105851321,0,0,1.187346531,-0.121156145,0.01713377,-0.369712441,0.166754143,-0.606115772,0.552143162,0,0,1.583103765,-0.113647295,0.050151868,0.084825528,-0.545076433,-0.07805326,0.265381084,0,0,-0.445282179,-0.084176352,0.268509963,-0.217944782,-0.098779934,0.094905188,0,0,-0.07090324,0.13912259,-0.094165088,-0.301521016,-0.42206289,0.559859641,0,0,-0.094591826,0.08361409,-0.215576512,-0.066164932,-0.515074266,0.555284348,0,0,-0.003105134,0.075961401,0.005981716,-0.405962082,-0.010631953,0.191733536,0,0,-0.101673083,0.030878862,-0.292132141,0.096838495,-0.519238213,0.491861508,0,0,-0.102039415,0.014430303,-0.311377034,0.140442692,-0.510479255,0.465022761,0,0,-0.071787648,0.031679457,0.053581787,-0.344308721,-0.049303944,0.167633411,0,0,1.217126887,0.824455996,1.199972138,2.025006384,0.344793426,0,0,0,1.244484016,0.866015446,1.165027378,1.387940706,1.232915086,0,0,0,1.493214171,1.039972973,1.262590524,0.888327318,1.477069947,0,0,0,0.532603912,0.514762337,1.243190562,2.638465101,0.152908877,0,0,0,1.567567372,1.115841666,1.349931886,0.709774873,1.488000309,0,0,0,1.571413854,1.128827211,1.376535642,0.68945191,1.465008044,0,0,0,0.612529002,0.547987685,1.201729263,2.585232701,0.200986079,0,0,0,31.34957175,15.79978587,23.26388749,31.53707175,3.942133968,15.79978632,0.25,1.11E-16,1.39E-17,-29.38944046,3000010.529,375001.3161,11.93130108,31.35128536,15.80027547,23.26437709,31.53823455,3.942279319,15.80027591,0.249265579,7.77E-16,9.71E-17,-27.83271234,3000010.529,375001.3161,11.93130108,32.88990299,16.24545425,23.70955587,32.59065713,4.073832141,16.24545451,-0.398994478,2.78E-16,3.47E-17,-28.65640787,3000010.529,375001.3161,11.93130108,31.35308389,15.80078935,23.26489096,31.53945499,3.942431874,15.80078979,0.2484948,8.88E-16,1.11E-16,-27.72588722,3000010.529,375001.3161,11.93130108,34.55936291,16.73853432,24.20263594,33.74764222,4.218455277,16.73853447,-1.082294264,4.44E-16,5.55E-17,-28.28040497,3000010.529,375001.3161,11.93130108,31.52931186,15.85122303,23.31532464,31.6591625,3.957395313,15.85122344,0.173134186,3.89E-16,4.86E-17,-28.38723008,3000010.529,375001.3161,11.93130108,39.41744517,19.73758755,29.78619567,39.67969007,4.959961258,19.73758756,0.524489796,1.11E-16,1.39E-17,-29.38944046,3000010.257,375001.2821,11.93130101,0,11.89,15.99491639,-0.298617594,0.13774251,4.743995418,7.809320895,7,21,20,20,6,1,1,0,0,1,16.262898,3.629454125,3.112599877,2.533732576,2.333552793,2.333552793,1.201591136,1.162837791,0.083923071,1.888463753,1.667247237,1.249629723,1.249629723,0.871952222,0.440344289,0.104486748,0.083923071,3.594744638,3.150713835,2.405454588,2.405454588,2.391189928,1.269690916,1.146155809,0.270913902,1.860582124,1.58857667,1.134540686,1.134540686,0.903043083,0.290000277,0.111838259,0.270913902,3.718807297,3.318028628,2.704236987,2.704236987,2.695862218,1.702702127,1.631650732,0.943918427,1.694972139,1.351217995,0.76031856,0.76031856,0.5649586,0.218324093,0.432110128,0.943918427,3.595503091,3.178805544,2.457539916,2.457539916,2.365706617,1.346550641,1.160732497,0.399277246,1.845727081,1.537907807,1.058262671,1.058262671,0.922689895,0.188893887,0.074731216,0.399277246,3.749922829,3.398793114,2.838982085,2.838982085,2.72763446,1.891182114,1.765166809,1.207644823,1.66093799,1.275766962,0.631337262,0.631337262,0.520658754,0.40108138,0.563548365,1.207644823,4.7120482,3.311317527,3.222481501,2.606496142,2.606496142,1.726993577,1.388011031,0.567567568,1.769119892,1.477602749,0.903793439,0.903793439,0.512295614,0.105862756,0.477002149,0.567567568,0,0,0,1,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0.859116756,0,0.384900179,0,0.645391651,0,0.136082763,0,1.821367205,1.539600718,0.962250449,0.841201121,0.938832194,0.438832194,6.732050808,3.553418013,3.347150628,2.103133692,0.769800359,0,0,0,0.841506351,0.507631145,0.371905625,0.262891712,0.19245009,0,0,0,6.062948829,3.090875491,2.711770004,1.138071187,0.666666667,0,0,0,0.757868604,0.441553642,0.301307778,0.142258898,0.166666667,0,0,0,11.50759373,21.54552076,20.42745098,20.72,13.07012096,169.3523066,0.523072442,0.979341853,0.928520499,0.941818182,0.594096407,7.697832118,1.8675,34.683,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,43,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,2,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,2,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84259259,0.351851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.026388889,0.802777778,0,0,0,0,0,0,0,0,0,0,7.731481481,0,0,0,0,0,0.407407407,0,0,0.351851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84259259,0.351851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305902778,0.401388889,0,0,0,0,0,0,0,0,0,0,1.93287037,0,0,0,0,0,0.203703704,0,0,0.351851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84259259,0.351851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,1.93287037,0,0,0,0,0,0.203703704,0,0,0.351851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.33333333,2.416666667,0.409722222,10.84259259,0.263888889,0.203703704,3.463537037,1.314814815,3.842592593,7.685185185,1.314814815,3.842592593,7.685185185,3.83333,0.47917,0,0.02083,0.4803,0.79583,0.42308,0.4803,0.79583,0.05723,0,-0.05723,0,0.60209,0.1122,0,0.6087,0.3913,0,5.25,0.65625,3.75,0.46875,1.5,0.1875,-2.25,-0.28125,0,0,7.36964,0.9212,9.55523,2.1856,0.2732,2.91328,0.36416,3.5534,0.64012,0.08002,0.3606,0.04508,0.3606,0.04508,0,7.01,1,1,1,1,0,0,0.857142857,1.143320102,1.582023941,1.958542982,1.958542982,1.755841545,1.238646324,25.15304225,34.8045267,43.0879456,43.0879456,38.62851398,27.25021913,0.256382472,0.354759099,0.439191168,0.439191168,0.393736623,0.277758789,3.316111517,2.877407678,2.500888637,2.500888637,2.703590074,3.220785295,0.256382472,0.354759099,0.439191168,0.439191168,0.393736623,0.277758789,9.968326343,15.23277241,15.61223772,15.61223772,13.17982048,6.163702894,29.50877429,23.15322134,23.6965962,23.6965962,22.48038757,17.08485067,8,3.111111111,2.8125,8,1,5,2.12,1.1106,1.889881575,0,6.603854498,0,0,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.455,0.443,0.52,0.149,3.431,9,8,4,0,0,0,0,0,0,36,2.197224577,2.48490665,2.564949357,1.609437912,0,0,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,2,4,1,2.5,1.333333333,0.5,0,0,0,0,0,0,0,0.357142857,0.148148148,0.0625,0,0,0,0,0,0,0,0.567791005,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,17.07,135.7821191,4,3.496507561,4.204692619,4.976733742,5.713732806,6.487684018,7.229113878,8.004031508,8.746239288,9.521421538,73.38015696,2.708050201,0,3.931825633,0,5.332718793,0,6.801283034,0,8.297792626,8.554681636,114.1044651,5.186566594,14.33508904,1.79188613,2.406694893,2.406694893,0,65,8,1.277,32,1.233333333,2.12644595,2.930455297,3.55850591,4.383318477,5.013506067,0,0,0,0,82.62061363,100.5235755,111.999976,77.38703648,39.08713088,5.094043029,0,0,0,0,286.274389,357.837331,412.1731765,382.7406147,397.4686875,155.8385413,0,0,0,0,9.129617831,15.45518486,21.75163435,26.84860625,30.6956298,33.68306003,0,0,0,0,2.113145198,2.767802116,3.279022434,3.235517791,4.037719378,2.229069496,0,0,0,0,177.4424221,331.7580809,466.6291139,601.2046047,711.2679421,927.0857704,0,0,0,0,3.177396825,4.684925862,8.733800724,9.931679622,7.505969621,5.013506067,0,0,0,0,0.449709286,0.606318464,0.759887264,0.763780758,0.878528609,0.513383021,0,0,0,0,355.5454616,185.5738217,8.658912586,120.8340883,-63.06828797,-16.39126803,234.7113733,248.6421097,25.05018061,0.746349128,0.389550353,0.018176499,0.253650872,-0.132390838,-0.034408001,169.374587,88.40357366,4.12492888,57.5628886,-30.04444264,-7.808464884,0.263764664,0.572085324,0.447932322,22.727815,436.6515337,39.72801619,0.916604279,0.083395721,506.3771674,22.50282577,7.970606549,641.9956726,25.33763352,8.626686854,907.0552751,30.11735837,9.680057071,1.355712503,1.355712503,418.889264,347.1166623,165.1969481,1.206767953,2.535696142,2.101229268,3.986251514,3.222561645,6.375709831,0.978460161,3.917822784,5.778211376,6.366004739,11.46296751,7.128137677,8.633714945,6.747336255,9.202302243,3.60173904,5.376140809,1.086526992,0.399187458,1.78E-17,1.64E-55,3.07E-115,1.15E-196,8.51E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,0.345289482,5.778030905,0.36253308,7.478337454,1.881248453,1.921248578,0.535491702,1.287192243,0.399221762,0.219995297,0.007652502,0.00281151,1.26E-19,1.16E-57,2.16E-117,8.10E-199,6.00E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,1.067258616,5.777925597,1.009365533,7.890829442,2.300298651,2.254409259,1.270736656,2.50794518,0.802405018,0.862507306,0.079744943,0.029298101,1.31E-18,1.21E-56,2.26E-116,8.44E-198,6.25E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,3.70321596,5.778250059,6.430116189,11.44458557,6.881273871,8.903708181,6.369941263,8.588436718,3.317057976,4.915452455,0.968075991,0.355668838,1.59E-17,1.46E-55,2.74E-115,1.03E-196,7.58E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,1.565367409,5.777900666,1.463859685,8.311942489,2.704216558,2.6807737,1.885121254,3.460570264,1.1535619,1.42529941,0.173216664,0.06363939,2.85E-18,2.62E-56,4.90E-116,1.83E-197,1.36E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,4.731361413,5.778365617,8.880928319,12.57492418,9.511782608,11.40677953,9.116395247,11.67493531,4.7564122,7.246536301,1.584597493,0.582177391,2.60E-17,2.40E-55,4.48E-115,1.68E-196,1.24E-299,0,0,0,0,0,0,0,0,0,0,0,0,0,2.445479817,4.680018032,5.856886947,11.95720215,4.993846791,10.88927957,3.651610401,4.712659642,1.896079701,2.494973409,0.350006154,0.128591431,5.75E-18,5.29E-56,9.90E-116,3.71E-197,2.74E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,3.870060146,1.311878374,0.923395089,0.633881847,0.214874151,0.607336207,0.463866961,0.473706442,6.10533361,9.862024794,20.65547979,0.450822771,1.54490961,2.632773109,1.109764802,0.409340074,0.634116204,0.267292248,0.280836839,0.33194163,0.09314276,4.151877984,4.453729672,9.801600672,0.451174307,0.70592123,3.24126412,1.071532106,0.629525321,0.655818139,0.216807445,0.425803296,0.309467559,0.220273026,4.942321547,6.188132997,13.31687063,0.483727209,0.95554388,3.780893008,1.338834403,0.896212682,0.628479165,0.222547828,0.579661373,0.483124832,0.446236965,6.015940094,9.650354271,20.20291367,0.442718748,1.509023169,3.49821373,1.088487692,0.730340388,0.657924811,0.204716783,0.496064456,0.319339396,0.296442581,5.317041809,7.157615884,15.2556205,0.486887217,1.111846433,3.932370537,1.354724209,0.957022812,0.629772021,0.216960074,0.62708767,0.494661581,0.508797924,6.244117559,10.38714785,21.72959157,0.444658032,1.630547175,3.783274385,1.345865426,0.896571964,0.627855186,0.223353767,0.580424399,0.488212452,0.446562518,6.025711775,9.690421147,20.2812785,0.441782778,1.51519937 +UMLRON0113,L,"2,4-dimethyl-3-pentanone",CC(C)C(=O)C(C)C,11271,[11] has RON of 99; opting for [11]/co-opt vals,"Sandia, UML","[9], [11]",C7H14O,PubChem,,99,0,-0.2066,0.04268356,34.6912,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1483.122152,1564.909256,1089.789796,460.407193,103.124448,9.144576,0,3947.642614,5029.877407,6806.459662,7774.63306,7153.877106,4470.825939,1620.932031,279.7536999,0,181.25648,180.900988,339.441056,442.613024,502.984336,493.333156,244.259712,60.466176,0,30.31423229,39.56609758,57.48793273,68.17071473,68.14653374,49.07290716,20.01965301,4.001516144,0,4342.872585,3643.766351,7584.388218,10167.38237,11809.77359,12556.45535,6466.264847,1664.258868,0,42.05555556,49.77777778,74.66666667,97.91666667,113,94,42,9,0,45.09238923,49.11105724,30.89837817,24.83982946,15.13596939,6.394544347,2.864568,1.016064,0,151.8324082,201.1950963,141.801243,123.406874,99.35940425,62.09480471,45.02588975,31.08374443,0,6.971403077,7.23603952,7.071688667,7.025603556,6.985893556,6.851849389,6.784992,6.718464,0,1.165932011,1.582643903,1.197665265,1.082074837,0.946479635,0.681568155,0.556101472,0.444612905,0,167.033561,145.7506541,158.0080879,161.3870218,164.0246332,174.3952133,179.618468,184.917652,0,1.617521368,1.991111111,1.555555556,1.554232804,1.569444444,1.305555556,1.166666667,1,0,0.036047443,-0.007598785,-0.004383136,0.001712488,-0.021532739,0.001156633,0.007892153,0.004729664,0,670.5194345,-58.02572029,-45.8474827,-97.42590073,-478.5331007,52.29478495,189.1208661,103.1568361,0,1246.859521,-107.9013047,-85.25535183,-181.1676226,-889.8527348,97.24438569,351.6783263,191.8245416,0,0.131350154,-0.01136684,-0.008981207,-0.019085065,-0.093741349,0.010244189,0.037047479,0.020207716,0,5.574042193,-0.482369036,-0.38113109,-0.809903567,-3.978055753,0.43472765,1.572165747,0.857544953,0,30.27828566,-2.620236259,-2.070310131,-4.399409027,-21.60886199,2.361447493,8.540029288,4.658197794,0,3.487179487,-1.641518738,-0.284023669,1.370808679,-1.861932939,-0.156804734,0.402366864,0.427514793,0,0.00138644,-3.04E-04,-9.13E-05,2.72E-05,-2.99E-04,1.61E-05,2.19E-04,5.26E-04,0,25.78920902,-2.321028812,-0.95515589,-1.546442869,-6.646293065,0.726316458,5.253357393,11.46187067,0,47.95613541,-4.316052187,-1.776153163,-2.87567655,-12.35906576,1.350616468,9.768842398,21.31383796,0,0.005051929,-4.55E-04,-1.87E-04,-3.03E-04,-0.001301963,1.42E-04,0.001029097,0.002245302,0,0.214386238,-0.019294761,-0.007940231,-0.012855612,-0.055250774,0.006037884,0.043671271,0.095282773,0,1.164549448,-0.10480945,-0.043131461,-0.069831889,-0.300123083,0.032797882,0.237223036,0.517577533,0,0.134122288,-0.06566075,-0.00591716,0.021758868,-0.02586018,-0.002177844,0.011176857,0.047501644,0,-0.219231549,-0.065863163,0.01960586,-0.215707704,0.01158676,0.158121848,0.379041424,0,-0.09,-0.037037037,-0.059964727,-0.257716049,0.02816358,0.203703704,0.444444444,0,-0.09,-0.037037037,-0.059964727,-0.257716049,0.02816358,0.203703704,0.444444444,0,-0.09,-0.037037037,-0.059964727,-0.257716049,0.02816358,0.203703704,0.444444444,0,-0.09,-0.037037037,-0.059964727,-0.257716049,0.02816358,0.203703704,0.444444444,0,-0.09,-0.037037037,-0.059964727,-0.257716049,0.02816358,0.203703704,0.444444444,0,-0.489558824,-0.044117647,0.162231559,-0.192810458,-0.016237745,0.083333333,0.354166667,0,1.755319385,1.112007843,1.012429161,1.291865768,0.761583031,0.447480228,0,0,1.625,1.222511574,1.14638448,1.253858025,0.689621914,0.376157407,0,0,1.625,1.222511574,1.14638448,1.253858025,0.689621914,0.376157407,0,0,1.625,1.222511574,1.14638448,1.253858025,0.689621914,0.376157407,0,0,1.625,1.222511574,1.14638448,1.253858025,0.689621914,0.376157407,0,0,1.625,1.222511574,1.14638448,1.253858025,0.689621914,0.376157407,0,0,2.102941176,0.871246936,0.749153828,1.377399918,0.871246936,0.597426471,0,0,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,46.76293868,23.25299712,34.91578997,46.57023035,5.821278793,23.25299712,-0.256944444,3.89E-16,4.86E-17,-28.38723008,26.40131945,3.300164931,2.61873119,0,11.89,12.11011416,-0.169035856,0.051418417,5.512550154,8.586130947,7,25,25,25,7,0,0,0,0,0,19.677726,3.574523796,3.101489964,2.723753363,2.575306449,1.92423326,1.744095946,1.288136135,0.801764835,1.948704756,1.669661871,1.453341321,1.374341706,0.942319753,0.843000671,0.542599084,0.287950024,3.599119055,3.141133145,2.777312368,2.635344871,2.005548036,1.833272234,1.394339446,0.935634121,1.892730457,1.589990306,1.356067346,1.270102422,0.816906761,0.709742075,0.3960242,0.122828495,3.708371245,3.313949361,3.006450737,2.889784995,2.341449071,2.199235012,1.821569341,1.456885847,1.730395931,1.348016717,1.050703404,0.938446788,0.404011052,0.266914215,0.10092888,0.451211033,3.617297672,3.170283105,2.816477119,2.679119236,2.064367535,1.897651895,1.470513059,1.030547104,1.857286538,1.53855301,1.292438027,1.201566386,0.733390689,0.620692447,0.297377104,0.01073456,3.762224513,3.396740649,3.113447808,3.007175732,2.4914679,2.361262737,2.006377226,1.674868587,1.680519263,1.270473056,0.949523501,0.826955631,0.259873085,0.110752411,0.280447435,0.665242944,3.580148549,3.226731387,2.942340846,2.830174566,2.169152693,1.988854382,1.539160102,1.129587959,1.881570033,1.467991507,1.155748079,1.042203552,0.603807729,0.498450375,0.192759037,0.11930666,0,0,0,0,0,4,2,2,0,0,0,0,0,0,0,0,0,0,0,0.471404521,0,0.166666667,0,0.471404521,0,0.166666667,0,1.276142375,1.138071187,0.666666667,1.276142375,1.138071187,0.666666667,6.568914101,3.718744015,2.771064349,2.259305623,0.804737854,0.166666667,0,0,0.821114263,0.531249145,0.346383044,0.282413203,0.201184464,0.166666667,0,0,6.568914101,3.718744015,2.771064349,2.259305623,0.804737854,0.166666667,0,0,0.821114263,0.531249145,0.346383044,0.282413203,0.201184464,0.166666667,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,52,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.176574074,0,2.656759259,0,0,0,1.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.260740741,0,1.32837963,0,0,0,0.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.327546296,0,1.32837963,0,0,0,0.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.708333333,0.2,2.327546296,0.2,0.916666667,6.02400463,0.416666667,0.327546296,2.353148148,0.416666667,0.327546296,2.353148148,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0.25,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.0653,1.13316,9.0653,0,0,3.71873,0.46484,3.71873,0,0,0.19527,0.02441,0.19527,0.02441,0,7,0,0,0,0,0,0,1,0.89049164,1.352030102,2.353533949,2.81507241,2.81507241,2.376577047,23.15278265,35.15278265,61.19188266,73.19188266,73.19188266,61.79100323,0.189448582,0.287639068,0.500705059,0.598895546,0.598895546,0.505607388,3.809948078,3.348409616,2.34690577,1.885367308,1.885367308,2.323862671,0.191756937,0.291143835,0.50680595,0.606192848,0.606192848,0.511768011,6.648700044,12.18716158,14.88760607,15.35275608,15.35275608,10.09081173,31.72521615,23.41346491,22.07229718,21.75251411,21.75251411,21.47599693,8,3.9375,2.8125,8,0,6,2.34,1.2358,1.668817935,3.614408014,4.298279727,0,0.333333333,2.828427125,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,3.31,8,8,4,1,0,0,0,0,0,36,2.079441542,2.197224577,2.197224577,1.609437912,0.693147181,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,2,1.333333333,0.375,0.08,0,0,0,0,0,0,0.285714286,0.166666667,0.046875,0.02,0,0,0,0,0,0,0.519255952,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,0,146.9243357,4,3.433987204,4.143134726,4.875197323,5.609471795,6.34738921,7.085901464,7.825245291,8.564649133,9.304285985,72.18926213,2.708050201,0,3.850147602,0,5.209486153,0,6.642486801,0,8.103191752,8.371242136,114.1408506,4.390032714,14.49160575,1.811450719,0,0,0,68,8,4.77,30,1.2278,2.116942009,2.891585598,3.540350992,4.221191693,5.420671653,7.058444873,0,0,0,71.2221278,74.49919381,80.64635164,63.03810421,33.48256727,17.83799085,7.171831732,0,0,0,272.5498825,326.3003669,381.1705458,380.9895487,291.396222,261.494311,219.4028965,0,0,0,8.919363223,15.03016952,20.36679815,24.80772697,29.03266459,36.86235503,47.42190778,0,0,0,2.081648384,2.695254639,3.274776271,3.536013851,3.088492415,3.153772732,3.138275679,0,0,0,176.77647,330.1832551,463.000294,575.1636384,727.6283361,967.0302533,1305.231053,0,0,0,2.496728889,3.403382069,4.613872086,5.717334224,5.765481153,6.532403224,7.058444873,0,0,0,0.4321989,0.568411947,0.695786993,0.760399123,0.679567967,0.708051041,0.722784755,0,0,0,386.3836951,170.7411405,9.288901912,130.1659684,-57.5197302,-7.813037154,256.2177267,228.2608707,17.10193907,0.748008802,0.330541577,0.017982592,0.251991198,-0.111353727,-0.015125433,199.5863677,88.19627866,4.798179157,67.23718717,-29.71179728,-4.035821712,0.067587796,0.146934612,0.985323937,8.373062457,516.5496635,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,758.5650936,27.54206045,9.120058373,1.68402738,1.526290971,549.2896212,455.6079474,134.9400024,1.205619051,4.070621102,3.376374236,4.21846949,4.466158665,7.63628977,0.709811572,5.020209962,6.639704814,2.933180332,28.20191537,8.625102626,7.28639905,9.679626432,15.96386685,9.217751689,3.704484017,3.632112305,0.073937924,1.544812114,1.267677695,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327102,0.182778582,8.839515583,2.040039688,0.190002846,0.810203283,0.829060378,2.140742745,0.063235935,0.028036494,0.008212694,0.127880219,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.63935305,0.631796352,11.49035953,2.492879758,0.890986114,2.219914354,2.932381448,2.972162498,0.367320732,0.272224788,0.01265383,0.413976048,0.093040371,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639663595,2.725040067,26.55615867,7.90665325,6.58750699,8.994882664,14.68850519,8.567590592,3.326205067,3.237603876,0.066739291,1.456961205,1.129478003,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.639386051,0.973406227,13.69650368,3.068389154,1.59414999,3.306621036,4.669013865,3.724962619,0.706464541,0.585783105,0.018367329,0.611301281,0.202096118,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.639877975,3.748977542,34.81816638,11.64321554,10.17435144,12.37588682,21.08201557,11.87129252,5.281485259,5.290215196,0.104196175,1.871341804,1.848788779,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.121827968,5.561207718,1.376810661,16.69134363,4.67071267,3.109639664,5.139406057,7.680775806,5.414712886,1.352297888,1.254115694,0.033401165,1.050802293,0.434373797,1.23E-06,2.74E-33,1.17E-81,9.71E-152,1.55E-243,0,0,0,0,0,0,0,0,0,0,0,4.668059509,1.571847047,0.590241609,0.683449231,0.230133668,0.48986518,0.456156105,0.447267179,6.830148166,11.02052804,22.18155958,0.525173846,1.393288464,3.810735526,1.001383039,0.180658046,0.763249755,0.200566362,0.325425964,0.183089664,0.042367796,4.99277661,4.685353856,10.36752264,0.644874633,0.550883424,4.163911407,1.236642579,0.349513196,0.724150045,0.215065762,0.389038979,0.280601997,0.157819768,5.750067181,7.036835022,14.58664006,0.586225067,0.827460743,4.648069591,1.55856854,0.580702684,0.684814527,0.229628743,0.48564238,0.448379156,0.433029953,6.787340815,10.84854646,21.84269207,0.527221791,1.367051489,4.315818379,1.337716995,0.422083646,0.710350396,0.220177893,0.418176866,0.328990885,0.229709952,6.07561902,8.159608416,16.67206135,0.565525595,0.976877702,4.730262571,1.613159794,0.619921054,0.679309103,0.231664546,0.503124383,0.48078745,0.493017846,6.963343419,11.56309047,23.2568465,0.518963654,1.476929679,4.662997142,1.563792496,0.581220542,0.684928051,0.229698907,0.488862471,0.451653254,0.433421443,6.808010179,10.91109798,21.95734507,0.527392076,1.373937167 +UMLRON0114,L,"3,4-dimethylhexane",CCC(C)C(C)CC,11412,,"Sandia, UML",[1],C8H18,PubChem,,76.3,0,-0.9841,0.96845281,23.5831,17.603516,0,0,18,6,12,0,5,0,1,0,0,0,0,0,0,0,989.481374,918.525433,1047.196341,924.136508,400.536025,90.93168,9.144576,0,0,2706.980219,3340.91352,4157.215774,3915.283615,2727.610504,1247.927098,279.7536999,0,0,131.675864,127.961068,226.90794,286.894208,243.837604,163.638144,60.466176,0,0,19.92305886,25.2786954,34.06730449,33.54359167,25.5846203,14.68429815,4.001516144,0,0,3038.434891,2530.053054,4954.678529,6588.328228,5664.217717,4247.253023,1664.258868,0,0,62.27777778,43.33333333,66.25,92,75,30,9,0,0,54.97118744,54.03090782,33.78052713,23.6958079,12.1374553,3.78882,1.016064,0,0,150.3877899,196.5243247,134.1037346,100.3918876,82.65486376,51.99696242,31.08374443,0,0,7.315325778,7.527121647,7.319610968,7.356261744,7.389018303,6.818256,6.718464,0,0,1.106836603,1.486982082,1.098945306,0.860092094,0.775291524,0.611845756,0.444612905,0,0,168.8019384,148.8266503,159.8283396,168.931493,171.6429611,176.9688759,184.917652,0,0,3.459876543,2.549019608,2.137096774,2.358974359,2.272727273,1.25,1,0,0,0.220916318,-0.112108781,0.001581439,0.019267737,-0.052395812,0.0283973,0.004799957,0,0,557.7912351,-66.11605249,-82.74028647,-43.74232996,-328.6979093,106.2665152,136.1344454,0,0,815.6252945,-79.2452518,-254.7450064,-82.37876295,-291.8851641,103.7120216,196.7295164,0,0,1.059967111,-0.095141383,0.003255753,-0.18348563,-0.502407259,0.154566519,0.093228444,0,0,3.576219349,-0.265723223,-1.464103123,-0.495926169,-0.542438663,0.24299,0.737091504,0,0,19.7674611,-1.32649563,-8.520916016,-3.006162159,-1.807642676,0.993742542,3.783743387,0,0,23.75308642,-4.15877915,-1.01920439,-0.085390947,-10.90843621,2.366255144,1.929012346,0,0,0.012273129,-0.006594634,5.10E-05,4.94E-04,-0.001587752,0.001183221,5.33E-04,0,0,30.98840195,-3.889179558,-2.669041499,-1.121598204,-9.960542705,4.427771466,15.12604949,0,0,45.31251636,-4.6614854,-8.21758085,-2.112275973,-8.845004973,4.321334232,21.85883516,0,0,0.058887062,-0.005596552,1.05E-04,-0.00470476,-0.015224462,0.006440272,0.010358716,0,0,0.198678853,-0.015630778,-0.047229133,-0.012716056,-0.016437535,0.010124583,0.081899056,0,0,1.098192283,-0.078029155,-0.274868259,-0.077081081,-0.054777051,0.041405939,0.420415932,0,0,1.319615912,-0.244634068,-0.032877561,-0.002189511,-0.330558673,0.098593964,0.214334705,0,0,-0.537322982,0.004156573,0.040254165,-0.129368144,0.096407434,0.043454982,0,0,-0.12550436,-0.086130337,-0.036194129,-0.321428085,0.142884795,0.488119701,0,0,-0.102874123,-0.181353443,-0.046615729,-0.195200039,0.095367342,0.482401705,0,0,-0.095038736,0.001783487,-0.079894625,-0.258536629,0.109366496,0.175908183,0,0,-0.078673586,-0.237715954,-0.064003065,-0.082734197,0.050959542,0.412218285,0,0,-0.071052361,-0.250291559,-0.070189057,-0.049879289,0.037703724,0.382825429,0,0,-0.185382781,-0.024914493,-0.001659204,-0.250496125,0.074714137,0.162422037,0,0,1.441835455,0.730198968,1.106100284,1.603515071,0.408280036,0,0,0,1.409452341,1.137818133,1.025935174,1.293520062,0.461221426,0,0,0,1.590373361,1.337815477,0.949813871,1.011263777,0.586538643,0,0,0,1.043987109,0.822591682,1.334941952,1.713577353,0.047545343,0,0,0,1.655711089,1.428720052,0.954985373,0.877747704,0.598020254,0,0,0,1.661705788,1.443354215,0.966465797,0.854855571,0.587692542,0,0,0,1.146049896,0.842033566,1.253998081,1.70791202,0.089462058,0,0,0,20.48424608,10.36712304,15.60319102,20.65091275,3.441818791,10.367203,0.25,2.34E-16,3.90E-17,-21.5945822,3000004.229,500000.7049,8.948474554,20.48715358,10.36820958,15.60427756,20.65333063,3.442221772,10.36828944,0.249265579,2.38E-16,3.96E-17,-21.58493016,3000004.229,500000.7049,8.948474554,23.11915886,11.36008219,16.59615017,22.85316254,3.808860424,11.36010905,-0.398994478,2.64E-16,4.40E-17,-21.5223154,3000004.229,500000.7049,8.948474554,20.49020524,10.36935002,15.605418,20.65586844,3.44264474,10.36942977,0.2484948,1.17E-16,1.95E-17,-22.01042277,3000004.229,500000.7049,8.948474554,25.99373482,12.45572028,17.76488038,25.27220531,4.212034218,12.45572904,-1.082294264,0.156267879,0.026044647,-1.113710141,32.60302982,5.433838303,2.090643134,20.78962176,10.48137797,15.71744595,20.90504455,3.484174092,10.48144791,0.173134186,3.58E-16,5.96E-17,-21.33979447,3000004.229,500000.7049,8.948474554,22.67072772,11.62703053,18.19007901,23.05961661,3.843269435,11.62705582,0.583333333,2.40E-16,3.99E-17,-21.58040393,3000004.078,500000.6797,8.948474524,0,11.89,15.99491589,-0.392504821,0.065108807,4.581744683,6.855005489,5,17,17,17,5,0,0,0,0,0,13.118484,3.46179812,2.902564078,2.45020918,1.726505411,1.598026915,0.869871873,0.083923071,0.083923071,1.84282221,1.563026335,1.114906261,0.769718516,0.597364197,0.285570659,0.083923071,0.083923071,3.45159127,2.950308951,2.383199868,1.695309721,1.60664093,0.948916999,0.270913902,0.270913902,1.800499119,1.473453684,1.062477916,0.630337185,0.580486486,0.148430833,0.270913902,0.270913902,3.604345854,3.155598408,2.718673573,2.120216645,2.090117344,1.49908293,0.943918427,0.943918427,1.597651593,1.195492746,0.673894311,0.162386152,0.014647061,0.450210452,0.943918427,0.943918427,3.463006259,2.985267979,2.399098612,1.765276817,1.60015617,1.018731147,0.399277246,0.399277246,1.774751622,1.415133181,1.034276625,0.547971474,0.536857124,0.046643965,0.399277246,0.399277246,3.655397916,3.252217518,2.803978208,2.26277616,2.236498878,1.705686017,1.207644823,1.207644823,1.546046051,1.104407163,0.576574831,0.004703131,0.108076948,0.65294828,1.207644823,1.207644823,4.289730788,3.271376884,3.106652036,2.255021256,1.874277641,1.25611368,0.6,0.6,1.68962311,1.283767308,0.748289814,0.397162369,0.058615032,0.324285348,0.6,0.6,0,0,0,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.129099445,0,0,0,0.577350269,0.288675135,0,0.25819889,0.129099445,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.438777427,2.488909033,1.470320087,0.942498641,0.288675135,0,0,0,0.739796238,0.497781807,0.294064017,0.23562466,0.288675135,0,0,0,8.965765927,17.6576839,16.70196078,16.96,10.27156647,139.5813569,0.498098107,0.980982439,0.92788671,0.942222222,0.570642582,7.754519827,1.1673,26.5888,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.51E-16,4.19E-17,-21.5515951,3000004.229,500000.7049,8.948474554,29,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.602777778,0,8.666666667,0,0,0,0,0,0,0,0,0,0,0.602777778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.597222222,0,0,0,0,0,0,0,0,0,0,0,3.960648148,0,1.770833333,0,0,0,-0.064814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.602777778,0,8.666666667,0,0,0,0,0,0,0,0,0,0,0.602777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.980324074,0,0.885416667,0,0,0,-0.064814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.602777778,0,8.666666667,0,0,0,0,0,0,0,0,0,0,0.602777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.980324074,0,0.885416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,2.388888889,0.602777778,8.666666667,0.2625,-0.064814815,2.53699537,1.398148148,2.666666667,5.333333333,1.398148148,2.666666667,5.333333333,2.83333,0.47222,0,0.02778,0.47593,0.82778,0.42,0.47593,0.75238,0.05593,0,-0.05593,0.0754,0.57047,0.14382,0,0.47059,0.17647,0,2.75,0.45833,2.75,0.45833,0,0,-2.75,-0.45833,0,0,4.94825,0.82471,5.73058,0.78233,0.13039,2.52648,0.42108,2.80805,0.28157,0.04693,0.10595,0.01766,0.10595,0.01766,0,5.01,1,1,1,1,1,1,1,1.134969975,1.833605679,2.641604168,2.641604168,2.409941668,1.594402779,20.42945954,33.00490222,47.54887502,47.54887502,43.37895002,28.69925001,0.272179949,0.439721501,0.633489611,0.633489611,0.577934056,0.382357663,3.034955027,2.336319323,1.528320834,1.528320834,1.759983334,2.575522223,0.27767102,0.448592623,0.646269892,0.646269892,0.589593535,0.390071504,10.25843817,15.60956847,16.42388957,16.42388957,13.64393957,5.478475726,21.93297423,16.70416525,17.25848056,17.25848056,15.86850556,9.556976394,6,3.2,3,6,0,5,1.9,0.8718,0.25,2.309401077,1,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,2.891,5,4,1,0,0,0,0,0,0,21,1.791759469,1.791759469,1.609437912,0.693147181,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.51E-16,4.19E-17,-21.5515951,3000004.229,500000.7049,8.948474554,20.23,103.8266085,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,88.088815,4.893823056,10.6758508,1.779308466,2.382088123,2.382088123,0,31,4,1.1,20,1.216411765,2.109456663,2.837767185,3.480028973,4.481040284,5.71185753,0,0,0,0,77.15821427,80.22774842,74.88118539,50.1477063,19.3994207,5.803612809,0,0,0,0,263.9099389,303.8103253,305.2442982,319.5048824,251.2648853,177.5459197,0,0,0,0,9.180431628,15.53605194,20.96503225,25.68476229,30.6400324,38.37490919,0,0,0,0,1.941447524,2.433242608,2.556275668,2.933791437,2.887757037,2.539565568,0,0,0,0,178.6200885,333.8264647,476.7067518,588.2875059,786.0626582,1056.223283,0,0,0,0,3.153882353,4.718798422,6.88373284,7.906305299,5.81963598,5.71185753,0,0,0,0,0.425350094,0.553804064,0.606759893,0.686820346,0.643049293,0.584894211,0,0,0,0,335.4808947,193.8877494,13.30525732,157.7923733,-91.19448715,-16.65448629,177.6885214,285.0822366,29.95974361,0.680111647,0.393063565,0.0269734,0.319888353,-0.1848762,-0.033763205,165.4837573,95.6396438,6.563127761,77.83475967,-44.98380271,-8.215212879,0.363563845,0.679123554,7.648680863,17.92879904,445.8352926,47.43797544,0.903830233,0.096169767,346.0061755,18.60124124,7.020390718,470.5945044,21.69319028,7.778256915,555.2486122,23.56371389,8.219192661,1.91052409,1.91052409,293.0066545,254.5102644,67.3752271,1.151256729,4.348878173,3.777505106,3.495478908,3.220194404,6.42424645,0.994987148,3.782243497,4.176847,2.888636564,12.42258577,6.724788054,1.634169419,3.527856074,8.407094306,1.622543825,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337322539,4.3037216,0.225974352,4.241622169,0.449337384,0.036582708,0.307488076,0.333548636,0.940625909,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0.969469194,4.067497395,0.649042657,4.643085201,0.851418431,0.150455816,0.760213287,1.321857408,0.987597981,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.793087398,4.303382321,2.894917209,12.41627183,6.153641673,1.539875968,3.320056449,7.679466809,1.548172241,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.361918399,3.977740142,0.921502565,5.161585117,1.394559365,0.271715605,1.116098183,2.19617127,1.047225431,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.748236975,4.257081772,3.752865132,16.15275326,9.49149678,2.379757704,4.623916014,11.36614645,1.934951627,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.484116726,4.516875743,2.474008558,11.58835823,3.573018715,1.002994948,2.145647842,3.669080219,1.59785533,1.718839852,0.058521852,0.405615798,2.89E-15,3.97E-51,1.05E-108,5.38E-188,5.30E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.863918775,0.813898426,0.567370812,0.736659728,0.155170496,0.542823503,0.44776075,0.476338294,5.245188012,5.798894351,12.82837132,0.604989592,1.466922548,2.726589511,0.627470715,0.164383046,0.774942013,0.178337596,0.270091724,0.251639161,0.036471688,3.518443272,2.262205707,6.061884548,0.662413019,0.558202574,3.359449719,0.611606358,0.33405638,0.780339597,0.142065129,0.41011591,0.253399246,0.166307347,4.305112457,3.381217425,8.372702434,0.670509395,0.829822503,3.767049099,0.831771238,0.549414111,0.731716696,0.161564367,0.515931476,0.458152547,0.432057699,5.148234449,5.659979882,12.52970625,0.597575044,1.406141722,3.608158046,0.634527112,0.410039263,0.775493607,0.13637754,0.473158157,0.284495484,0.263479742,4.652724422,4.029141603,9.6206403,0.663240411,1.021133383,3.902262439,0.846734171,0.593473124,0.730422938,0.15849115,0.553693343,0.480906677,0.514785722,5.342469734,6.122580807,13.42599195,0.595634407,1.549385742,3.786556158,0.831517239,0.550665786,0.732587972,0.160874289,0.521285309,0.457938209,0.434156295,5.168739182,5.691601737,12.5941599,0.598881959,1.413379813 +UMLRON0115,L,3-Pentanol,CCC(CC)O,11428,Co optima database valuese measured by NREL,Sandia,,C5H12O,PubChem,,103,0,0.7252,0.52591504,36.0652,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1483.122152,1443.843247,1023.243652,572.328626,169.670592,18.289152,0,3947.642614,5029.877407,6806.459662,7549.505646,6651.959874,4416.199653,2122.849263,559.5073998,0,181.25648,180.900988,339.441056,442.589308,500.589328,432.890696,246.65472,120.932352,0,30.31423229,39.56609758,57.48793273,67.16429045,64.1329453,46.0778153,24.03324144,8.003032287,0,4342.872585,3643.766351,7584.388218,10161.91546,12000.54422,10897.6634,6275.494221,3328.517736,0,42.05555556,49.69444444,75.33333333,99,106.3333333,84,48,18,0,45.09238923,49.11105724,30.89837817,22.91814678,14.21171739,9.084581365,4.713072,1.016064,0,151.8324082,201.1950963,141.801243,119.833423,92.38833159,70.09840718,58.96803508,31.08374443,0,6.971403077,7.23603952,7.071688667,7.025227111,6.952629556,6.871280889,6.85152,6.718464,0,1.165932011,1.582643903,1.197665265,1.066099848,0.890735351,0.731393894,0.66759004,0.444612905,0,167.033561,145.7506541,158.0080879,161.3002454,166.6742252,172.9787841,174.3192839,184.917652,0,1.617521368,1.987777778,1.569444444,1.571428571,1.476851852,1.333333333,1.333333333,1,0,0.036023545,-0.007300622,-0.003105822,-0.006726247,-0.011367872,0.004471888,-0.003538078,0.009554982,0,670.5194345,-58.02572029,-45.8474827,-218.4919097,-255.0266225,70.20395788,-34.38561202,206.3136721,0,1246.859521,-107.9013047,-85.25535183,-406.2950361,-474.2328946,130.5472575,-63.94151388,383.6490833,0,0.131350154,-0.01136684,-0.008981207,-0.042801065,-0.049957964,0.013752473,-0.006735905,0.040415432,0,5.574042193,-0.482369036,-0.38113109,-1.816327851,-2.120041689,0.583606982,-0.285848318,1.715089906,0,30.27828566,-2.620236259,-2.070310131,-9.866321716,-11.5161001,3.170162387,-1.552732598,9.316395587,0,3.487179487,-1.724852071,0.382642998,0.018244576,-1.220907298,0.851577909,-0.905325444,0.855029586,0,0.001385521,-2.92E-04,-6.47E-05,-1.07E-04,-1.58E-04,7.10E-05,-9.83E-05,5.31E-04,0,25.78920902,-2.321028812,-0.95515589,-3.468125551,-3.542036424,1.114348538,-0.95515589,11.46187067,0,47.95613541,-4.316052187,-1.776153163,-6.449127557,-6.58656798,2.07217869,-1.776153163,21.31383796,0,0.005051929,-4.55E-04,-1.87E-04,-6.79E-04,-6.94E-04,2.18E-04,-1.87E-04,0.002245302,0,0.214386238,-0.019294761,-0.007940231,-0.028830601,-0.029445023,0.009263603,-0.007940231,0.095282773,0,1.164549448,-0.10480945,-0.043131461,-0.156608281,-0.159945835,0.050320038,-0.043131461,0.517577533,0,0.134122288,-0.068994083,0.007971729,2.90E-04,-0.016957046,0.01351711,-0.025147929,0.047501644,0,-0.210769008,-0.046700575,-0.077058256,-0.113955051,0.051231518,-0.070933575,0.383128316,0,-0.09,-0.037037037,-0.134479718,-0.137345679,0.043209877,-0.037037037,0.444444444,0,-0.09,-0.037037037,-0.134479718,-0.137345679,0.043209877,-0.037037037,0.444444444,0,-0.09,-0.037037037,-0.134479718,-0.137345679,0.043209877,-0.037037037,0.444444444,0,-0.09,-0.037037037,-0.134479718,-0.137345679,0.043209877,-0.037037037,0.444444444,0,-0.09,-0.037037037,-0.134479718,-0.137345679,0.043209877,-0.037037037,0.444444444,0,-0.514411765,0.059436275,0.002159197,-0.126429739,0.100781979,-0.1875,0.354166667,0,1.74617111,1.10355879,1.136696138,1.084392143,0.749737928,0.873692882,2.09E-05,0,1.625,1.222511574,1.21803351,1.065779321,0.7164903,0.752314815,0,0,1.625,1.222511574,1.21803351,1.065779321,0.7164903,0.752314815,0,0,1.625,1.222511574,1.21803351,1.065779321,0.7164903,0.752314815,0,0,1.625,1.222511574,1.21803351,1.065779321,0.7164903,0.752314815,0,0,1.625,1.222511574,1.21803351,1.065779321,0.7164903,0.752314815,0,0,2.126838235,0.771675858,1.005193744,1.145067402,0.730187908,1.194852941,0,0,36.36295528,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,1.07E-14,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,36.36295528,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,1.07E-14,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,36.36295528,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,1.07E-14,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,36.36295528,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,1.07E-14,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,36.36295528,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,1.07E-14,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,36.36295528,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,1.07E-14,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,47.61019995,23.67662775,36.28758522,47.41749162,5.927186452,23.67662775,-0.256944444,0.070492973,0.008811622,-2.121793797,44.93813846,5.617267307,3.044229474,0,11.89,12.11011416,-0.163405954,0.057491962,5.284181949,8.585130436,7,25,25,25,7,0,0,0,0,0,19.677726,3.564578259,3.142620643,2.755690837,2.333552793,2.232858563,1.606172094,1.280298168,0.815968603,1.944821197,1.693732656,1.462431343,1.249629723,1.138422436,0.7231645,0.555135169,0.293018372,3.589679474,3.180949203,2.806781694,2.405454588,2.302844544,1.696156481,1.389534726,0.948567065,1.888168012,1.616117162,1.367065751,1.134540686,1.0235637,0.586994937,0.407724298,0.128482014,3.701005283,3.348151005,3.026931031,2.704236987,2.596224924,2.066933117,1.826349433,1.465827863,1.72341157,1.381151209,1.069722595,0.76031856,0.651663112,0.135713468,0.094839549,0.442828738,3.608223213,3.209135616,2.84423232,2.457539916,2.353708846,1.761221273,1.467721626,1.042641887,1.85225364,1.566076462,1.304838453,1.058262671,0.947538182,0.49608725,0.308319902,0.016830175,3.75576927,3.428379591,3.130535196,2.838982085,2.729578068,2.231688554,2.014075277,1.682543989,1.672652841,1.306059322,0.972008991,0.631337262,0.524315499,0.022900049,0.277585574,0.655494846,3.577142295,3.259271789,2.961466207,2.634654398,2.457518917,1.829009002,1.54509417,1.139981453,1.871442855,1.500861069,1.174789618,0.878556837,0.818797869,0.391000613,0.197867844,0.112105304,0,0,0,0,0,4,2,2,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.569035594,0,0.23570226,0,1.207106781,0.666666667,0.666666667,1.207106781,0.666666667,0.666666667,6.568914101,3.680739213,3.009975955,1.882088123,0.788675135,0.333333333,0,0,0.821114263,0.525819888,0.376246994,0.268869732,0.197168784,0.166666667,0,0,6.568914101,3.680739213,3.009975955,1.882088123,0.788675135,0.333333333,0,0,0.821114263,0.525819888,0.376246994,0.268869732,0.197168784,0.166666667,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.160416667,0,2.719259259,0,0,0,1.786990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.248888889,0,1.332685185,0,0,0,0.870324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.327546296,0,1.386574074,0,0,0,0.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.708333333,0.2,2.327546296,0.2,0.870324074,6.027454028,0.463009259,0.327546296,2.320833333,0.463009259,0.327546296,2.320833333,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0.25,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.01229,1.12654,9.01229,0,0,3.68073,0.46009,3.68073,0,0,0.23327,0.02916,0.23327,0.02916,0,7,0,0,0,0,0,0,1,0.89049164,1.352030102,2.478345968,3.189508468,3.507380102,3.068884739,23.15278265,35.15278265,64.43699516,82.92722016,91.19188266,79.79100323,0.189448582,0.287639068,0.527258324,0.678555339,0.746181275,0.652893117,3.809948078,3.348409616,2.22209375,1.510931251,1.193059616,1.631554979,0.191756937,0.291143835,0.533682756,0.686823264,0.755273195,0.660848358,6.648700044,12.18716158,16.3853503,18.26677788,18.58713687,13.32519251,31.72521615,23.41346491,20.30332596,17.2708372,16.51025192,15.587175,8,3.9375,3.673469388,8,0,6,2.34,1.2358,1.72030651,3.150627212,4.521745165,0,1,2.149139864,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,3.31,8,7,4,2,0,0,0,0,0,36,2.079441542,2.197224577,2.079441542,1.609437912,1.098612289,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,2,1.111111111,0.375,0.16,0,0,0,0,0,0,0.285714286,0.138888889,0.053571429,0.04,0,0,0,0,0,0,0.518174603,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,0,146.9243357,4,3.433987204,4.110873864,4.844187086,5.556828062,6.289715571,7.01301579,7.744569809,8.471568013,9.202207389,71.66695279,2.708050201,0,3.850147602,0,5.176149733,0,6.577861358,0,8.011355109,8.288283045,114.1408506,4.390032714,14.49604135,1.812005168,0,0,0,70,7,4.77,30,1.2278,2.116942009,2.892113875,3.525657447,4.322663141,5.452718765,6.36847156,0,0,0,71.2221278,74.49919381,74.9659962,60.03110189,47.82739106,27.94486325,6.470774688,0,0,0,272.5498825,326.3003669,370.1873692,357.9654271,336.5859243,338.4748734,197.9559424,0,0,0,8.919363223,15.03016952,20.36648997,24.60132367,29.81514646,37.44023868,42.78634691,0,0,0,2.081648384,2.695254639,3.223798656,3.349020441,3.39430983,3.775631794,2.83150464,0,0,0,176.77647,330.1832551,463.0647242,581.0240432,739.0661882,944.0758809,1177.642808,0,0,0,2.491652222,3.442533592,4.659950637,5.389330385,6.02574831,7.472780394,6.36847156,0,0,0,0.4321989,0.568411947,0.68633069,0.721773567,0.741483006,0.836318882,0.652131488,0,0,0,393.9273135,174.2457451,9.48213876,146.8652023,-64.9628389,-8.926187193,247.0621112,239.208584,18.40832595,0.728425971,0.322204431,0.017533783,0.271574029,-0.120125255,-0.016505752,213.0329429,94.23079487,5.127869676,79.42360225,-35.13141709,-4.827215229,0.067521354,0.147308398,0.884276712,9.589586469,540.7925158,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,746.9549217,27.33047606,9.07329012,1.499478194,1.243862349,582.3960353,479.6633121,143.1793848,1.214176737,4.067596993,3.350086416,4.339155828,4.466158665,7.63628977,0.709811572,5.020209962,6.639712793,3.013565844,25.69186854,8.1312814,5.001251206,7.9048014,18.46014921,8.131692427,4.215861543,4.174705492,0.410757475,1.952300582,1.267677768,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327158,0.183344747,8.70417369,1.544863857,0.108803921,0.717010875,0.92347179,2.122239065,0.109750566,0.079119959,0.010595825,0.130750194,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639353636,0.637696202,11.00383624,1.999704037,0.556003289,1.882338446,3.3129853,2.837109035,0.514878692,0.433473113,0.037402441,0.443883397,0.093040376,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639670705,2.796662113,24.2387339,7.413358851,4.506653134,7.35798417,16.96554977,7.582744506,3.81130142,3.753587283,0.366846941,1.820026094,1.129478069,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.639387323,0.986221481,12.92925265,2.576074671,1.026729573,2.771925907,5.306675616,3.479805185,0.921558061,0.819735271,0.072097839,0.676264037,0.202096129,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.639889611,3.866212245,31.54128436,11.14675138,7.054030695,10.05066678,24.47201099,10.36977213,5.887697863,5.92738104,0.595380337,2.465625438,1.848788887,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.121827968,5.534127292,1.383549513,15.86280738,4.000045433,2.032623753,4.215846701,8.971781162,4.827711628,1.704461012,1.650682459,0.148861965,1.190429513,0.434373822,1.23E-06,2.74E-33,1.17E-81,9.71E-152,1.55E-243,0,0,0,0,0,0,0,0,0,0,0,4.847348613,1.673203822,0.584092069,0.68227884,0.235508451,0.493418202,0.44320762,0.438450648,7.104644504,11.91920519,23.76118813,0.52341826,1.37507647,4.025387496,1.077120485,0.177103589,0.762440085,0.2040151,0.34125029,0.184955989,0.041000799,5.279611571,5.239499811,11.28700197,0.643660128,0.567207079,4.364008411,1.322856137,0.344952111,0.723498186,0.219313055,0.400549585,0.278144232,0.154446593,6.031816659,7.734651239,15.75786102,0.585247279,0.833140411,4.828184312,1.65932107,0.574619238,0.683673055,0.234960605,0.489551664,0.435950129,0.424508462,7.06212462,11.73935336,23.40504458,0.525509582,1.350010255,4.50964906,1.428471511,0.417061727,0.709601841,0.224772704,0.427514057,0.323930366,0.225087519,6.355182298,8.918468026,17.96032243,0.564402762,0.976531943,4.906982324,1.716398683,0.613564295,0.67804607,0.237171709,0.505547156,0.466165739,0.483233793,7.236945302,12.4862081,24.89079928,0.517069106,1.454946687,4.84249163,1.665811762,0.575075602,0.68364147,0.235171909,0.492417805,0.439282093,0.424813307,7.083378994,11.80944601,23.53177558,0.525462205,1.356513206 +UMLRON0116,L,"2,3-Dimethylhexane",CCCC(C)C(C)C,11447,,"Sandia, UML",[1],C8H18,PubChem,,71.3,0,-0.0844,0.00712336,30.6077,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1168.347606,1059.474365,750.796203,366.427321,93.979872,9.144576,0,3461.958223,4376.887272,5667.785137,5815.662656,4863.490598,3129.647608,1341.178331,279.7536999,0,160.279036,159.125208,296.687832,377.285684,374.843244,309.53962,183.793536,60.466176,0,26.63610648,34.55010896,48.7938183,53.12274887,47.09631187,33.0547703,16.01813686,4.001516144,0,3846.242925,3210.7269,6654.719106,8868.264018,9048.100818,7754.449376,4802.005979,1664.258868,0,36.52777778,43.25,65.25,79.58333333,78,61,33,9,0,44.61329874,48.14991518,27.81780014,19.61989565,13.90363339,8.142829356,3.480736,1.016064,0,150.5199227,198.9494215,134.9472652,107.6974566,90.0646407,69.54772462,49.67327153,31.08374443,0,6.968653739,7.232964,7.063996,6.986771926,6.941541556,6.878658222,6.807168,6.718464,0,1.158091586,1.570459498,1.161757579,0.983754609,0.872153924,0.734550451,0.593264328,0.444612905,0,167.2279533,145.9421318,158.445693,164.2271114,167.5574226,172.3210972,177.8520733,184.917652,0,1.588164251,1.965909091,1.553571429,1.473765432,1.444444444,1.355555556,1.222222222,1,0,0.032503873,-0.005861214,-0.00794553,-0.003306304,-0.004926974,-0.001999363,0.003059188,0.004728259,0,589.5388264,-58.58770946,-129.0760474,-115.5734112,-136.6283693,-37.53275137,81.70239171,100.9264839,0,1096.272622,-108.9463475,-240.0224219,-214.9136934,-254.066287,-69.79375388,151.9290862,187.6771065,0,0.115486609,-0.01147693,-0.025285112,-0.022640038,-0.02676456,-0.007352408,0.016004938,0.019770805,0,4.900848691,-0.487040864,-1.073011903,-0.960764204,-1.135794514,-0.312010553,0.679193705,0.839003988,0,26.62148787,-2.645613702,-5.828617687,-5.218886404,-6.169653828,-1.694846278,3.689390983,4.557482978,0,2.845410628,-1.174595673,-0.308286074,0.134688091,-0.238500315,-0.164933837,-0.06852552,0.397448015,0,0.001413212,-2.66E-04,-1.89E-04,-6.12E-05,-9.12E-05,-4.44E-05,1.13E-04,5.25E-04,0,25.63212289,-2.663077703,-3.073239224,-2.140248356,-2.530154988,-0.834061142,3.026014508,11.21405376,0,47.66402704,-4.952106706,-5.714819569,-3.97988321,-4.704931241,-1.550972309,5.627003192,20.85301183,0,0.005021157,-5.22E-04,-6.02E-04,-4.19E-04,-4.96E-04,-1.63E-04,5.93E-04,0.002196756,0,0.213080378,-0.022138221,-0.025547902,-0.01779193,-0.021033232,-0.006933568,0.025155322,0.093222665,0,1.157455995,-0.120255168,-0.138776612,-0.096646045,-0.114252849,-0.037663251,0.13664411,0.506386998,0,0.123713506,-0.053390712,-0.007340145,0.002494224,-0.004416673,-0.003665196,-0.002537982,0.044160891,0,-0.188520067,-0.133864767,-0.043325311,-0.064562334,-0.031439227,0.080174282,0.371750454,0,-0.103896104,-0.119897959,-0.083498677,-0.098710317,-0.032539683,0.118055556,0.4375,0,-0.103896104,-0.119897959,-0.083498677,-0.098710317,-0.032539683,0.118055556,0.4375,0,-0.103896104,-0.119897959,-0.083498677,-0.098710317,-0.032539683,0.118055556,0.4375,0,-0.103896104,-0.119897959,-0.083498677,-0.098710317,-0.032539683,0.118055556,0.4375,0,-0.103896104,-0.119897959,-0.083498677,-0.098710317,-0.032539683,0.118055556,0.4375,0,-0.431567372,-0.059331797,0.02016129,-0.035700811,-0.029626486,-0.020514997,0.356960951,0,1.727154756,1.209809405,1.021645895,1.009194551,0.861467339,0.583673553,1.51E-08,0,1.642857143,1.290816327,1.087632275,1.003968254,0.803174603,0.501984127,0,0,1.642857143,1.290816327,1.087632275,1.003968254,0.803174603,0.501984127,0,0,1.642857143,1.290816327,1.087632275,1.003968254,0.803174603,0.501984127,0,0,1.642857143,1.290816327,1.087632275,1.003968254,0.803174603,0.501984127,0,0,1.642857143,1.290816327,1.087632275,1.003968254,0.803174603,0.501984127,0,0,2.040322581,0.920446277,0.859083192,1.026127146,0.987945671,0.859083192,0,0,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,36.77045554,18.29296587,28.35009323,36.63865282,5.23409326,18.29296589,-0.18452381,0.044253682,0.006321955,-2.182471697,23.05157387,3.293081982,2.196413834,0,11.89,12.11009426,-0.169148055,0.051271425,5.205584379,7.956379543,6,22,22,22,6,0,0,0,0,0,17.491312,3.513114128,3.071856517,2.688670694,2.233248777,1.776372742,1.396431061,0.930872281,0.083923071,1.921555107,1.656855366,1.432571689,1.139580706,0.859974435,0.651168221,0.361399181,0.083923071,3.540559641,3.113111403,2.743477416,2.303286336,1.863932868,1.502723355,1.058534859,0.270913902,1.861678808,1.575544616,1.333760036,1.024619841,0.728078729,0.504550424,0.20099611,0.270913902,3.661469382,3.29212709,2.977651733,2.596903846,2.223976014,1.930021187,1.557723544,0.943918427,1.685639611,1.327263863,1.022809842,0.652389658,0.290687386,0.007523115,0.353869665,0.943918427,3.560792974,3.143400625,2.78353999,2.354189513,1.927186899,1.578932786,1.149164306,0.399277246,1.82355259,1.522942124,1.269062686,0.948526365,0.640005638,0.40587786,0.092299111,0.399277246,3.720446316,3.377434827,3.086797123,2.730372543,2.383750373,2.114833279,1.767609835,1.207644823,1.630804989,1.247214842,0.91952574,0.52493374,0.136817796,0.171995084,0.559571488,1.207644823,3.542208774,3.213963171,2.9227269,2.468351898,2.026762165,1.67067351,1.247616643,0.591549296,1.827687999,1.439546903,1.12040559,0.810651265,0.510022989,0.280579946,0.037436701,0.591549296,0,0,0,0,0,3,3,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.49279928,0.40824829,0.204124145,0.49279928,0.40824829,0.204124145,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,6.801574074,0,4.082685185,0,0,0,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.242222222,0,1.341111111,0,0,0,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.309027778,0,1.399305556,0,0,0,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.69047619,0.2,2.309027778,0.2,0.949074074,5.309490741,0.384259259,0.309027778,1.603148148,0.384259259,0.309027778,1.603148148,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.42857,0.14286,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.07892,1.01127,7.07892,0,0,3.30805,0.47258,3.30805,0,0,0.10595,0.01514,0.10595,0.01514,0,6,0,0,0,0,0,0,1,0.886540893,1.327484782,2.521861955,3.207707064,3.017944979,2.379571242,20.39044053,30.53214998,58.00282497,73.77726248,69.41273451,54.73013857,0.195982923,0.293460064,0.557494731,0.709110894,0.66716119,0.526039273,3.637021063,3.196077174,2.001700001,1.315854892,1.505616978,2.143990714,0.19880132,0.297680264,0.565511969,0.719308499,0.676755523,0.533604155,6.634953582,11.92628025,16.71908002,16.45445059,14.94658598,10.9352509,27.76507516,20.80617277,17.57522093,17.11297261,19.39173394,16.41148336,7,4.166666667,3.84,7,0,6,2.23,1.0949,0.766309432,4.112265279,1.650963624,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.039,6,5,3,1,0,0,0,0,0,28,1.945910149,1.945910149,1.791759469,1.386294361,0.693147181,0,0,0,0,0,3.36729583,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,6,1,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,0,129.6283511,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,100.1252005,4.353269587,12.66537523,1.809339318,0,0,0,50,5,4.262,24,1.224818182,2.11142556,2.867533957,3.525187397,4.36918953,5.563380252,7.058444873,0,0,0,69.72220731,66.73106956,64.29670785,59.79718573,44.26043391,22.09307243,7.171831732,0,0,0,268.787596,308.3215324,331.3002501,351.9450334,340.1511157,296.9300748,219.4028965,0,0,0,8.893455721,14.97034384,20.08381424,24.56302577,30.1827031,37.96906017,47.42190778,0,0,0,2.059771149,2.597411395,2.956662873,3.295888154,3.465837725,3.465113537,3.138275679,0,0,0,176.6115071,330.5407757,467.4308715,583.7815225,742.9770141,981.6370519,1305.231053,0,0,0,2.466049242,3.384750067,4.327180033,5.271150248,6.218951454,7.045689013,7.058444873,0,0,0,0.427911136,0.549535126,0.632467242,0.710702546,0.757650181,0.773655823,0.722784755,0,0,0,381.0301594,150.5104252,9.240304407,140.8270612,-55.6279873,-8.554166061,240.2030982,206.1384125,17.79447047,0.730142545,0.288413036,0.017706576,0.269857455,-0.106596182,-0.016391775,198.8433399,78.54495217,4.822119576,73.49161876,-29.02986684,-4.464053325,0.075001756,0.164955492,1.169730682,10.73838948,521.8572206,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,598.4971078,24.46420053,8.427278607,1.89259598,1.526290971,483.5382822,439.5710476,80.20393844,1.100023045,6.028859576,5.480666612,4.019056751,4.466158665,7.63628977,0.709811572,4.462408855,5.691185733,2.523473062,22.07828065,7.839961149,5.513492167,6.198358568,8.891993467,6.032234781,2.422975435,2.910398195,0.073937921,1.544812114,1.267677695,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851887,0.161895582,6.467581135,1.046305104,0.171644691,0.531568745,0.420956045,2.069101809,0.054172639,0.022953403,0.008212694,0.127880219,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690874825,0.55548736,8.252787789,1.509035101,0.745805086,1.410923038,1.533025675,2.611946213,0.273168838,0.219255056,0.012653829,0.413976048,0.093040371,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691149302,2.34760599,20.62688193,7.097177789,5.003844943,5.753321569,8.155110881,5.695471762,2.184378152,2.594569597,0.066739288,1.456961205,1.129478003,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690903994,0.851940353,9.894342239,2.101039475,1.293225955,2.096925619,2.479641444,3.063607087,0.502046392,0.470725769,0.018367329,0.611301281,0.202096118,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691338777,3.210160512,28.01501293,10.96130198,7.60784131,7.957538365,11.86819189,7.386008805,3.412647832,4.237662994,0.104196171,1.871341804,1.848788779,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,2.765215168,4.950965967,1.235374837,12.66535211,3.623676924,2.531053764,3.217684934,3.928312033,4.191038531,0.93240862,1.028201207,0.03411055,1.073119595,0.443599177,1.26E-06,2.80E-33,1.20E-81,9.92E-152,1.58E-243,0,0,0,0,0,0,0,0,0,0,0,5.077399275,1.103250795,0.584503124,0.750522439,0.163078465,0.508613498,0.435401278,0.435706437,6.765153195,9.214254066,19.25358614,0.625783658,1.379721213,4.20910626,0.620836848,0.181093231,0.839967219,0.123893903,0.349627151,0.137456934,0.042081886,5.011036339,3.487838266,8.972101688,0.759950829,0.529165971,4.5685986,0.820779259,0.348212092,0.796257425,0.143052966,0.41182159,0.240615132,0.155194704,5.737589952,5.626457514,12.66977699,0.694386137,0.807631426,5.057321662,1.092114576,0.575183676,0.752060596,0.162405398,0.504599092,0.42663456,0.421983095,6.724619914,9.060230041,18.96168988,0.628090894,1.353216747,4.722444579,0.906249705,0.419686898,0.780778267,0.149833431,0.440004182,0.293493126,0.225198282,6.048381182,6.642003249,14.48652432,0.671167401,0.95869559,5.139824419,1.137870382,0.613476745,0.745856403,0.16512002,0.521197446,0.46322455,0.47976118,6.891171545,9.699673745,20.1787358,0.618784604,1.464183176,5.075117168,1.094685998,0.575927151,0.752345103,0.162278352,0.508156055,0.428619509,0.422618901,6.745730316,9.109016857,19.05440243,0.628517654,1.359394466 +UMLRON0117,L,3-Methylhexane,CCCC(C)CC,11507,,"Sandia, UML",[1],C7H16,PubChem,,52,0,-0.3796,0.14409616,29.1534,19.363516,0,0,19,7,12,0,6,0,1,0,0,0,0,0,0,0,1133.745495,1058.76965,1188.456622,1067.384565,716.772887,323.876617,84.835296,9.144576,0,3130.497121,3797.153407,4644.539406,4307.716772,3247.508299,2127.761402,1061.424631,279.7536999,0,139.21638,133.148048,238.813384,287.71626,225.06698,174.31498,123.32736,60.466176,0,22.71195886,28.64637172,37.87959372,35.88787876,27.3996407,19.97477611,12.01662072,4.001516144,0,3165.229247,2624.785681,5234.328808,6530.204932,5019.500517,4062.749184,3137.747111,1664.258868,0,78.52777778,45.91666667,70.75,99.91666667,84.5,52,24,9,0,59.67081553,58.82053611,36.01383703,27.368835,23.89242957,13.49485904,4.713072,1.016064,0,164.7630063,210.9529671,140.7436184,110.4542762,108.2502766,88.65672507,58.96803508,31.08374443,0,7.327177895,7.397113778,7.236769212,7.37734,7.502232667,7.263124167,6.85152,6.718464,0,1.195366256,1.591465096,1.147866476,0.92020202,0.913321357,0.832282338,0.66759004,0.444612905,0,166.591013,145.8214267,158.6160245,167.4411521,167.3166839,169.281216,174.3192839,184.917652,0,4.133040936,2.550925926,2.143939394,2.561965812,2.816666667,2.166666667,1.333333333,1,0,0.126537503,-0.046314752,-0.006501849,0.007127583,-0.003157852,-0.019175743,-1.08E-04,0.00486179,0,605.7336044,-45.41908671,-27.34060142,-13.52325939,-228.5785382,-197.3498514,45.73754676,163.6069882,0,916.6964704,-95.75164029,-214.459928,2.978736188,-212.8169417,-203.8746415,20.43736773,245.1388123,0,1.062550737,-0.002447645,0.109778404,-0.195828565,-0.400939058,-0.240251457,0.100081197,0.098331756,0,4.063287563,-0.461433045,-1.426951984,-0.029278688,-0.490865693,-0.506295278,-0.061127079,0.944307985,0,22.47243353,-2.562605463,-8.525997698,-0.329274982,-2.023326988,-2.129787261,-0.558110864,4.892886488,0,33.75438596,-0.701523546,1.145891043,-5.438827331,-9.827100646,-6.575715605,1.943213296,2.576869806,0,0.006659869,-0.002573042,-1.97E-04,1.83E-04,-1.05E-04,-7.99E-04,-6.00E-06,5.40E-04,0,31.88071602,-2.523282595,-0.828503073,-0.346750241,-7.619284608,-8.222910474,2.54097482,18.17855424,0,48.24718265,-5.319535572,-6.498785696,0.076377851,-7.093898055,-8.494776728,1.135409318,27.23764581,0,0.055923723,-1.36E-04,0.003326618,-0.005021245,-0.013364635,-0.010010477,0.005560066,0.010925751,0,0.21385724,-0.025635169,-0.043240969,-7.51E-04,-0.01636219,-0.021095637,-0.003395949,0.104923109,0,1.18275966,-0.14236697,-0.258363567,-0.008442948,-0.067444233,-0.088741136,-0.031006159,0.543654054,0,1.77654663,-0.03897353,0.034723971,-0.139457111,-0.327570022,-0.27398815,0.107956294,0.286318867,0,-0.38635023,-0.029584024,0.027441765,-0.015805379,-0.119970728,-9.00E-04,0.081112539,0,-0.079147614,-0.025987593,-0.010876488,-0.238993522,-0.257927409,0.079702564,0.570205331,0,-0.11025588,-0.134697724,0.001583053,-0.147032379,-0.176067829,0.023533173,0.564543758,0,-0.002431532,0.059484922,-0.089787392,-0.238979713,-0.179002342,0.099422324,0.195368801,0,-0.119870476,-0.202195489,-0.003510452,-0.076509871,-0.098643546,-0.015879513,0.490622199,0,-0.12036847,-0.218441308,-0.007138346,-0.057022771,-0.075028883,-0.026215097,0.459648797,0,-0.021937803,0.01954577,-0.078498987,-0.184385828,-0.154225139,0.060767498,0.161165974,0,1.124231077,0.782423847,1.266503624,1.551255154,1.077893154,0.174611671,1.24E-05,0,1.212328523,0.995485519,1.000307492,1.283904329,1.166880737,0.59960026,0,0,1.492302918,1.226099545,0.89480256,1.031927374,1.023355056,0.736756672,0,0,0.521883785,0.532804333,1.410031057,1.905304594,1.277830275,0.066959626,0,0,1.578834284,1.31705836,0.889952635,0.954049145,0.933888399,0.743061575,0,0,1.583316226,1.329172695,0.900141658,0.950015396,0.912289051,0.729815845,0,0,0.540670478,0.558849934,1.405515353,1.871608628,1.260947245,0.088877339,0,0,27.48565425,13.86782713,21.52624284,27.66422568,3.95203224,13.8678301,0.25,0.085547374,0.012221053,-1.721079481,24.69870358,3.528386225,2.244725529,27.48734558,13.86830558,21.52675366,27.66539242,3.952198918,13.86830856,0.249265579,0.085540504,0.012220072,-1.721135703,24.69828912,3.528327017,2.244713782,28.99853991,14.29977272,21.9928658,28.71354386,4.101934837,14.29977444,-0.398994478,0.078871397,0.011267342,-1.777955647,24.32998684,3.475712405,2.234196731,27.4891207,13.86880775,21.5272898,27.66661698,3.952373855,13.86881072,0.2484948,0.085533291,0.012219042,-1.721194723,24.69785412,3.528264874,2.244701453,30.62447259,14.77108916,22.52047569,29.85140526,4.264486466,14.77109019,-1.082294264,0.069702629,0.009957518,-1.864462074,23.98413427,3.426304896,2.224174778,27.66294742,13.9180408,21.57991547,27.78661469,3.969516385,13.91804358,0.173134186,0.08482144,0.012117349,-1.727044858,24.65522167,3.522174524,2.243492097,30.17598369,15.14660012,23.93961865,30.45795648,4.351136641,15.14660107,0.657936508,0.114437046,0.016348149,-1.517411296,24.11620302,3.44517186,2.228018757,0,11.89,15.99491614,-0.299200604,0.132424371,4.272433469,6.859887239,6,18,17,17,5,1,1,0,0,1,14.076484,3.552797882,3.073182212,2.634436484,2.061380182,1.563354361,1.332142786,0.083923071,0.083923071,1.848875044,1.640660305,1.247427004,0.890521635,0.653269005,0.184896588,0.083923071,0.083923071,3.512992966,3.103114292,2.610676125,2.049038151,1.57640057,1.371380742,0.270913902,0.270913902,1.815919534,1.563918152,1.178810588,0.794827926,0.518467226,0.282290808,0.270913902,0.270913902,3.655508927,3.286141865,2.869432722,2.388483546,2.001760761,1.840856881,0.943918427,0.943918427,1.630123691,1.313041256,0.856950664,0.38590828,0.029405492,0.223499597,0.943918427,0.943918427,3.51462953,3.130191438,2.628716748,2.077786481,1.626432076,1.39853323,0.399277246,0.399277246,1.798655728,1.514518227,1.13831518,0.737668312,0.435656713,0.274849596,0.399277246,0.399277246,3.691352406,3.367907184,2.951413312,2.501490054,2.152726213,1.979165308,1.207644823,1.207644823,1.590218511,1.23533567,0.770989321,0.268102159,0.13145659,0.336744782,1.207644823,1.207644823,4.842056784,3.306799281,3.144220305,2.506434726,1.985682882,1.652053613,0.590163934,0.590163934,1.690155655,1.407726702,0.925939843,0.527736147,0.278624039,0.474902009,0.590163934,0.590163934,0,0,0,1,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.102062073,0,0,0,0.49279928,0.40824829,0.204124145,0.174230856,0.144337567,0.072168784,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.029568634,2.825444489,1.642228525,0.923176335,0.455615463,0.176776695,0,0,0.718509805,0.470907415,0.273704754,0.184635267,0.151871821,0.176776695,0,0,9.965765927,18.6576839,17.70196078,17.96,11.27156647,146.3240515,0.524513996,0.981983363,0.931682147,0.945263158,0.59324034,7.701265868,1.7656,30.206,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,2,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41180556,0.377314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.680208333,0.802777778,0,0,0,0,0,0,0,0,0,0,3.922175926,0,2.45537037,0,0,0,0,0,0,0.377314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41180556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41180556,0.377314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.265625,0.401388889,0,0,0,0,0,0,0,0,0,0,1.900787037,0,0.702222222,0,0,0,0,0,0,0.377314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41180556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41180556,0.377314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.021388889,0,0.992731481,0,0,0,0,0,0,0.377314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41180556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.16666667,2.452380952,0.515972222,10.41180556,0.265625,0.377314815,2.82466713,1.289351852,3.411805556,6.866388889,1.289351852,3.411805556,6.866388889,3.33333,0.47619,0,0.02381,0.48772,0.80952,0.42174,0.48772,0.80952,0.06598,0,-0.06598,0,0.58823,0.12606,0,0.4,0.15,0,4.75,0.67857,3.25,0.46429,1.5,0.21429,-1.75,-0.25,0,0,5.23233,0.74748,7.07892,1.84659,0.2638,2.61989,0.37427,3.30805,0.68816,0.09831,0.10595,0.01514,0.10595,0.01514,0,6.01,1,1,1,1,0,0,0.833333333,1.167436723,1.773214355,2.905307776,3.326360408,2.925853015,2.200441883,22.18129774,33.69107275,55.20084775,63.20084775,55.59120728,41.80839577,0.27482501,0.417430464,0.683935347,0.783054889,0.688771879,0.518003633,3.08049079,2.474713158,1.342619737,0.921567105,1.322074499,2.047485631,0.27482501,0.417430464,0.683935347,0.783054889,0.688771879,0.518003633,10.29981851,17.56915009,21.02424428,20.29152061,18.29407895,13.08456674,25.71846446,17.70137014,15.5649527,15.83118111,18.54454299,15.65423121,7,4.166666667,3.84,7,1,6,2.01,0.9697,0.2,2.803965796,0.816496581,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,3.388,6,5,3,1,0,0,0,0,0,28,2.079441542,2.197224577,2.079441542,1.609437912,0.693147181,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,17.07,118.4861345,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,100.088815,5.267832369,12.66537523,1.809339318,2.41660592,2.41660592,0,50,5,1.26,24,1.230611111,2.12189994,2.880388876,3.638556339,4.944601944,5.832757812,7.019466268,0,0,0,82.68712511,85.97766925,87.23558191,103.5031061,75.32865678,30.45831128,7.132226974,0,0,0,283.9634567,322.0517162,343.7194258,445.9651869,468.2136159,366.332875,218.1912955,0,0,0,9.132995542,15.45196097,21.32465015,27.13493355,35.90462506,40.0700794,47.16003142,0,0,0,2.091655824,2.567775733,2.805141245,3.691374765,4.322651002,4.072905854,3.120945288,0,0,0,177.3517926,332.8265365,478.8383605,595.5631062,829.8998588,1008.253377,1298.023221,0,0,0,3.198671296,4.78747594,7.497275674,9.958243522,10.72678844,8.044623556,7.019466268,0,0,0,0.447387083,0.572627928,0.654854397,0.857762291,0.98621137,0.901627126,0.718793346,0,0,0,364.0888265,171.7879773,11.41274683,173.0562267,-81.65309389,-17.70920943,191.0325998,253.4410712,29.12195627,0.677822172,0.319816735,0.021247048,0.322177828,-0.152013117,-0.032969138,195.568512,92.27506218,6.130300504,92.95629607,-43.85955546,-9.512414242,0.280521558,0.634088111,4.975621931,20.49595426,504.8215418,32.32351138,0.939823496,0.060176504,444.2955983,21.07832058,7.630576257,560.5400313,23.67572663,8.245219299,716.0496234,26.75910356,8.946387537,2.051616202,2.051616202,472.2471986,426.1042902,62.87230463,1.108290176,7.511211834,6.777297138,3.824880792,4.434143809,7.611354189,0.716533003,3.360021677,4.829738104,2.840848094,8.322200176,5.643179162,0.57458248,1.53277652,7.631682543,6.378359806,3.20459009,2.249305966,0.825453048,1.226700503,1.154038266,5.51E-07,1.01E-34,3.58E-84,2.45E-155,3.23E-248,0,0,0,0,0,0,0,0,0,0,0,0.298477101,4.829556012,0.23266514,4.313567138,0.243860419,0.059312654,0.432791131,0.420986938,1.229269215,0.115278012,0.074083622,0.007885354,0.080549646,0.008127986,3.88E-09,7.13E-37,2.52E-86,1.72E-157,2.27E-250,0,0,0,0,0,0,0,0,0,0,0,0.916142542,4.829450735,0.606746408,4.256783087,0.690731708,0.105695574,0.62991875,1.39556423,1.817088273,0.473383103,0.311449496,0.062899548,0.274783302,0.084699879,4.04E-08,7.43E-36,2.63E-85,1.80E-156,2.37E-249,0,0,0,0,0,0,0,0,0,0,0,3.176697216,4.829776581,2.969031818,8.424163466,5.656215787,0.703989351,1.480890722,7.265068465,5.899299643,2.919066907,2.04303683,0.735826663,1.142482289,1.028227318,4.91E-07,9.02E-35,3.19E-84,2.18E-155,2.87E-248,0,0,0,0,0,0,0,0,0,0,0,1.34265012,4.829425913,0.823363613,4.423129508,1.046168982,0.108912052,0.774672901,2.148664104,2.358138291,0.800118755,0.535750425,0.13388123,0.419912358,0.183979456,8.79E-08,1.61E-35,5.71E-85,3.90E-156,5.14E-249,0,0,0,0,0,0,0,0,0,0,0,4.057735794,4.829893228,3.791514597,10.32571321,8.136633294,0.83880283,1.796333099,10.18175686,8.338308425,4.371206282,3.096031362,1.202234192,1.55447727,1.683056353,8.04E-07,1.48E-34,5.23E-84,3.57E-155,4.71E-248,0,0,0,0,0,0,0,0,0,0,0,2.093622362,4.453679391,3.374887781,9.434040521,5.515992995,1.299404945,1.154666893,4.909261087,3.562264838,1.326596441,1.040242822,0.290493606,0.753028962,0.401943992,1.92E-07,3.52E-35,1.25E-84,8.53E-156,1.12E-248,0,0,0,0,0,0,0,0,0,0,0,5.921006262,0.80079261,0.436829068,0.827114681,0.11186398,0.58713498,0.53502877,0.526296249,7.15862794,7.677775196,16.90762732,0.740672021,1.648459999,4.194386235,0.589845182,0.083527025,0.861666881,0.121173881,0.294229379,0.290170423,0.019242489,4.867758442,2.873651129,7.948058647,0.792500322,0.603642291,5.063011788,0.589415744,0.225624232,0.861341817,0.100273997,0.429142228,0.290266047,0.140403746,5.878051764,4.259543479,10.81090733,0.792012726,0.859812021,5.78491394,0.817198689,0.419896123,0.823826079,0.116376769,0.560231457,0.558009584,0.486285078,7.022008752,7.499625585,16.50666138,0.735739119,1.604526119,5.430892232,0.613151424,0.294005474,0.856871274,0.096741349,0.494113368,0.313257034,0.238406475,6.338049129,5.106941224,12.42401662,0.785306911,1.045776877,6.001694314,0.836294729,0.461872524,0.822165497,0.114563094,0.603199104,0.583700848,0.588371286,7.299861568,8.177464583,17.79554994,0.733248246,1.775271237,5.789961752,0.82136554,0.419380696,0.823524709,0.116825438,0.561152136,0.563907722,0.48509197,7.030707988,7.528338104,16.55348441,0.735287064,1.610151829 +UMLRON0118,L,3-hexanone,CCCC(=O)CC,11509,,UML,[11],C6H12O,PubChem,,101.9,0,0.532,0.283024,36.4788,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1483.122152,1322.777238,1077.763517,629.730194,178.815168,18.289152,0,3947.642614,5029.877407,6806.459662,7324.378233,6375.170056,4638.363184,2402.602963,559.5073998,0,181.25648,180.900988,339.441056,442.565592,498.218036,374.819528,307.120896,120.932352,0,30.31423229,39.56609758,57.48793273,66.15786616,61.12578116,46.08988759,28.03475758,8.003032287,0,4342.872585,3643.766351,7584.388218,10156.44855,12196.78175,9042.633905,7939.753089,3328.517736,0,42.05555556,49.66666667,75.69444444,98.66666667,100.3333333,81,57,18,0,45.09238923,49.11105724,30.89837817,20.9964641,14.96893774,11.66167026,3.9736704,1.016064,0,151.8324082,201.1950963,141.801243,116.259972,88.54402856,85.89561452,53.39117695,31.08374443,0,6.971403077,7.23603952,7.071688667,7.024850667,6.919694944,6.94110237,6.8249088,6.718464,0,1.165932011,1.582643903,1.197665265,1.05012486,0.848969183,0.853516437,0.622994613,0.444612905,0,167.033561,145.7506541,158.0080879,161.213469,169.3997466,167.4561834,176.4389575,184.917652,0,1.617521368,1.986666667,1.576967593,1.566137566,1.393518519,1.5,1.266666667,1,0,0.036019739,-0.006995104,-0.002153772,-0.016225517,0.008513475,-0.012088906,0.00138496,0.009554995,0,670.5194345,-58.02572029,-45.8474827,-339.5579187,89.54586464,-256.4593563,68.77122405,206.3136721,0,1246.859521,-107.9013047,-85.25535183,-631.4224495,166.5143591,-476.8971243,127.8830278,383.6490833,0,0.131350154,-0.01136684,-0.008981207,-0.066517065,0.01754142,-0.050238627,0.013471811,0.040415432,0,5.574042193,-0.482369036,-0.38113109,-2.822752136,0.74439666,-2.131952035,0.571696635,1.715089906,0,30.27828566,-2.620236259,-2.070310131,-15.3332344,4.043574474,-11.58079729,3.105465196,9.316395587,0,3.487179487,-1.752629849,0.743754109,-1.533037475,1.304733728,-0.883629191,-0.477810651,0.855029586,0,0.001385375,-2.80E-04,-4.49E-05,-2.58E-04,1.18E-04,-2.24E-04,3.08E-05,5.31E-04,0,25.78920902,-2.321028812,-0.95515589,-5.389808234,1.243692565,-4.74924734,1.528249423,11.46187067,0,47.95613541,-4.316052187,-1.776153163,-10.02257856,2.312699431,-8.831428228,2.841845061,21.31383796,0,0.005051929,-4.55E-04,-1.87E-04,-0.001055826,2.44E-04,-9.30E-04,2.99E-04,0.002245302,0,0.214386238,-0.019294761,-0.007940231,-0.044805589,0.010338843,-0.039480593,0.01270437,0.095282773,0,1.164549448,-0.10480945,-0.043131461,-0.243384673,0.056160757,-0.214459209,0.069010338,0.517577533,0,0.134122288,-0.070105194,0.015494877,-0.024333928,0.018121302,-0.016363504,-0.010618014,0.047501644,0,-0.201970052,-0.032388529,-0.185904881,0.08535071,-0.161594291,0.022215568,0.383169348,0,-0.09,-0.037037037,-0.208994709,0.048225309,-0.184156379,0.059259259,0.444444444,0,-0.09,-0.037037037,-0.208994709,0.048225309,-0.184156379,0.059259259,0.444444444,0,-0.09,-0.037037037,-0.208994709,0.048225309,-0.184156379,0.059259259,0.444444444,0,-0.09,-0.037037037,-0.208994709,0.048225309,-0.184156379,0.059259259,0.444444444,0,-0.09,-0.037037037,-0.208994709,0.048225309,-0.184156379,0.059259259,0.444444444,0,-0.522696078,0.115527982,-0.181430906,0.135110294,-0.122004357,-0.079166667,0.354166667,0,1.736836292,1.097051805,1.26310628,0.77917945,1.144207119,0.699032655,1.87E-05,0,1.625,1.222511574,1.28968254,0.815007716,1.086676955,0.601851852,0,0,1.625,1.222511574,1.28968254,0.815007716,1.086676955,0.601851852,0,0,1.625,1.222511574,1.28968254,0.815007716,1.086676955,0.601851852,0,0,1.625,1.222511574,1.28968254,0.815007716,1.086676955,0.601851852,0,0,1.625,1.222511574,1.28968254,0.815007716,1.086676955,0.601851852,0,0,2.134803922,0.717741524,1.204335901,0.705295139,1.250170207,0.955882353,0,0,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,47.89266769,23.81786162,36.90702939,47.69995936,5.96249492,23.81786163,-0.256944444,0.002779983,3.47E-04,-4.708248382,27.87218818,3.484023522,2.662103482,0,11.89,12.11011416,-0.164612092,0.056117657,5.441366761,8.27075799,7,25,25,25,7,0,0,0,0,0,19.677726,3.553387335,3.186361378,2.70465292,2.333552793,2.211476357,1.741961771,1.115201586,0.882379902,1.941354195,1.711809299,1.439357507,1.249629723,1.113400739,0.837005275,0.424899233,0.340133507,3.579223546,3.222241282,2.758533368,2.405454588,2.280960637,1.830507057,1.226270859,1.013471333,1.883956111,1.636692126,1.341388541,1.134540686,0.998783506,0.703877645,0.272406879,0.17770596,3.693390468,3.379997685,2.989220212,2.704236987,2.572763368,2.194586449,1.673112861,1.523992969,1.716289813,1.411364586,1.033791891,0.76031856,0.627978952,0.262023828,0.24590054,0.385913507,3.598287441,3.248695134,2.797945256,2.457539916,2.331494498,1.894476573,1.305958274,1.106400464,1.847506818,1.588430577,1.27729714,1.058262671,0.922937886,0.614951603,0.169673593,0.067519302,3.749315809,3.456381668,3.096993741,2.838982085,2.705612122,2.356081623,1.866169565,1.737742468,1.66437737,1.340097469,0.931889276,0.631337262,0.501173825,0.106465709,0.433539355,0.595681058,3.568361912,3.296195697,2.922472865,2.634654398,2.421479144,1.98003123,1.372769736,1.203799381,1.864903225,1.526265241,1.141956104,0.878556837,0.805262811,0.496493089,0.063443241,0.060043016,0,0,0,0,0,4,2,2,0,0,0,0,0,0,0,0,0,0,0,0.696923425,0,0,0,0.696923425,0,0,0,0.691044062,0.902368927,0.666666667,0.691044062,0.902368927,0.666666667,6.568914101,3.66390246,3.142969116,1.570696873,0.971404521,0.333333333,0,0,0.821114263,0.523414637,0.39287114,0.261782812,0.194280904,0.166666667,0,0,6.568914101,3.66390246,3.142969116,1.570696873,0.971404521,0.333333333,0,0,0.821114263,0.523414637,0.39287114,0.261782812,0.194280904,0.166666667,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.144212963,0,2.716944444,0,0,0,1.805509259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.256990741,0,1.331527778,0,0,0,0.879583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.319444444,0,1.385416667,0,0,0,0.925925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.708333333,0.2,2.319444444,0.2,0.879583333,6.027208657,0.45375,0.319444444,2.288425926,0.45375,0.319444444,2.288425926,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0.25,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.9638,1.12047,8.9638,0,0,3.66389,0.45799,3.66389,0,0,0.25011,0.03126,0.25011,0.03126,0,7,0,0,0,0,0,0,1,0.89049164,1.352030102,2.478345968,2.929705102,2.825251737,2.694448682,23.15278265,35.15278265,64.43699516,76.17233265,73.45654517,70.05566573,0.189448582,0.287639068,0.527258324,0.623283199,0.601061157,0.573233324,3.809948078,3.348409616,2.22209375,1.770734616,1.875187981,2.005991036,0.191756937,0.291143835,0.533682756,0.630877655,0.608384847,0.580217942,6.648700044,12.18716158,16.3853503,15.14913749,15.8894187,12.94782648,31.72521615,23.41346491,20.30332596,21.73364995,21.21916191,16.67704054,8,3.9375,5,8,0,6,2.34,1.2358,1.639769145,3.486742171,4.085857991,0,0.5,3.039342743,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,3.31,8,6,5,2,0,0,0,0,0,36,2.079441542,2.197224577,1.945910149,1.791759469,1.098612289,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,2.5,0.666666667,0.5,0.16,0,0,0,0,0,0,0.357142857,0.083333333,0.083333333,0.032,0,0,0,0,0,0,0.555809524,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,0,146.9243357,4,3.433987204,4.077537444,4.828313737,5.493061443,6.248042875,6.918695219,7.673688129,8.34640487,9.100860271,71.12059119,2.708050201,0,3.850147602,0,5.141663557,0,6.49677499,0,7.884199934,8.176110342,114.1408506,4.390032714,14.49663423,1.812079278,0,0,0,71,6,4.77,30,1.2278,2.116942009,2.891979167,3.494712307,4.279870039,5.192078801,6.36847156,0,0,0,71.2221278,74.49919381,67.46777057,62.0205237,59.75691026,23.19912597,6.470774688,0,0,0,272.5498825,326.3003669,355.4863844,338.636966,404.6633866,296.576416,197.9559424,0,0,0,8.919363223,15.03016952,20.35936831,24.25446154,29.82692731,35.52786968,42.78634691,0,0,0,2.081648384,2.695254639,3.154509661,3.149615746,3.906191255,3.38949137,2.83150464,0,0,0,176.77647,330.1832551,463.0874653,586.7295869,707.5373598,908.7245649,1177.642808,0,0,0,2.48996,3.463478713,4.617416705,5.011250482,6.693614991,6.808128105,6.36847156,0,0,0,0.4321989,0.568411947,0.673422292,0.679336469,0.845637409,0.754037253,0.652131488,0,0,0,388.7507542,172.1208008,9.346623055,138.6256556,-61.37700981,-8.276979589,250.1250986,233.4978106,17.62360264,0.737140962,0.326371824,0.017722869,0.262859038,-0.116381789,-0.015694634,205.0179771,90.77244997,4.929188511,73.10790058,-32.36878708,-4.36508378,0.066929334,0.146665375,0.67367935,8.357720016,527.3764099,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,748.7931004,27.36408413,9.080726832,1.797339331,1.797339331,542.0062692,526.9427783,126.043483,1.028586578,4.300153061,4.180642789,4.263641753,4.466158665,7.63628977,0.709811572,5.020209962,6.63971282,3.013538183,25.69200968,8.457113311,14.04206848,7.849651337,14.86089924,6.849924351,4.272270483,4.174760574,0.410757475,1.952300582,1.267677768,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327158,0.183344552,8.704174269,1.547136754,1.532895559,0.569539559,0.6875567,2.11321181,0.110147845,0.079120347,0.010595825,0.130750194,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639353638,0.637694172,11.00384553,2.023561827,3.137561585,1.599667013,2.507837792,2.743035391,0.519018754,0.433477155,0.037402441,0.443883397,0.093040376,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639670728,2.796637467,24.23885937,7.703654094,12.94063916,7.2426863,13.61369616,6.440712464,3.86156076,3.753636359,0.366846941,1.820026094,1.129478069,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.639387327,0.986217072,12.92927386,2.627951026,4.52080996,2.442182938,4.075940309,3.275463816,0.930550863,0.819744052,0.072097839,0.676264037,0.202096129,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.63988965,3.866171904,31.54149155,11.62201824,18.50124443,10.28009305,19.90964868,8.50043274,5.969965045,5.927461372,0.595380337,2.465625438,1.848788887,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.121827968,5.525099581,1.376101611,16.0368581,4.000028482,7.893983157,3.689071735,6.799999798,4.388511245,1.723789654,1.650701333,0.148861965,1.190429513,0.434373822,1.23E-06,2.74E-33,1.17E-81,9.71E-152,1.55E-243,0,0,0,0,0,0,0,0,0,0,0,4.954600449,1.111401696,0.963886788,0.704790715,0.158096622,0.525495677,0.460110478,0.483944379,7.029888933,11.35349067,23.69107169,0.557186073,1.469550534,4.130389097,0.618961639,0.486065225,0.788932365,0.118225876,0.365247722,0.143333672,0.124326241,5.235415961,4.865046639,11.34311382,0.683398548,0.632907635,4.469912605,0.821990887,0.683121971,0.74809934,0.13757111,0.427706881,0.252405025,0.244644254,5.975025464,7.289242974,15.77421392,0.62214901,0.924756161,4.9353815,1.099934271,0.95276527,0.70625705,0.157401476,0.521424681,0.450721232,0.472971255,6.98808104,11.17883451,23.33909257,0.559385575,1.445117169,4.615952375,0.909240888,0.76778312,0.733508612,0.144485031,0.45610249,0.308588145,0.308478525,6.292976383,8.439162759,17.9545346,0.600262919,1.073169161,5.014404814,1.147081284,0.998488274,0.700338375,0.160207457,0.538265858,0.489932733,0.518863821,7.159974371,11.90410153,24.80731047,0.550507562,1.547062411,4.950534442,1.102066604,0.955725475,0.706378966,0.157251036,0.524641684,0.452333393,0.475496612,7.008326521,11.24044369,23.46303511,0.559568449,1.452471688 +UMLRON0119,L,"2,4-Dimethylhexane",CCC(C)CC(C)C,11511,Opting for Sandia/UML values,"Sandia, UML",[1],C8H18,PubChem,,65.2,0,0.1712,0.02930944,35.0595,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1362.056143,1256.231094,1068.618941,629.730194,299.881177,84.835296,9.144576,3947.642614,5029.877407,6581.332248,6822.461001,6095.416356,4638.363184,2627.730376,1061.424631,279.7536999,181.25648,180.900988,339.41734,440.170584,437.75186,374.819528,307.144612,123.32736,60.466176,30.31423229,39.56609758,56.48150844,62.14427773,57.12426502,46.08988759,29.04118186,12.01662072,4.001516144,4342.872585,3643.766351,7578.921305,10347.21917,10532.52289,9042.633905,7945.220002,3137.747111,1664.258868,40.77777778,48.5,74.58333333,91.16666667,89.25,79,55,24,9,45.09238923,49.11105724,28.37616965,19.9401761,16.96220541,11.66167026,6.664026156,4.713072,1.016064,151.8324082,201.1950963,137.1110885,108.2930318,96.75264057,85.89561452,58.39400836,58.96803508,31.08374443,6.971403077,7.23603952,7.071194583,6.986834667,6.948442222,6.94110237,6.825435822,6.85152,6.718464,1.165932011,1.582643903,1.176698093,0.986417107,0.906734365,0.853516437,0.645359597,0.66759004,0.444612905,167.033561,145.7506541,157.8941939,164.2415742,167.1829029,167.4561834,176.5604445,174.3192839,184.917652,1.568376068,1.94,1.553819444,1.447089947,1.416666667,1.462962963,1.222222222,1.333333333,1,0.03670553,-0.005844745,-0.010337872,-0.004584745,0.003186368,-0.013158062,0.009424713,-0.001765302,0.004726879,670.5194345,-58.02572029,-166.9134917,-116.0514406,-13.61097143,-256.4593563,189.837233,-17.19280601,103.1568361,1246.859521,-107.9013047,-310.3827653,-215.8026093,-25.31018258,-476.8971243,353.0104412,-31.97075694,191.8245416,0.131350154,-0.01136684,-0.032697207,-0.02273368,-0.002666296,-0.050238627,0.037187811,-0.003367953,0.020207716,5.574042193,-0.482369036,-1.387555375,-0.964738072,-0.113148292,-2.131952035,1.57812092,-0.142924159,0.857544953,30.27828566,-2.620236259,-7.537222819,-5.240472518,-0.61462332,-11.58079729,8.572377884,-0.776366299,4.658197794,3.017094017,-1.157462196,-0.320019724,-0.515779093,1.182938856,-1.650887574,1.047337278,-0.473372781,0.378698225,0.001411751,-2.34E-04,-2.15E-04,-7.28E-05,5.06E-05,-2.44E-04,2.09E-04,-9.81E-05,5.25E-04,25.78920902,-2.321028812,-3.47736441,-1.842086358,-0.216047165,-4.74924734,4.218605179,-0.95515589,11.46187067,47.95613541,-4.316052187,-6.46630761,-3.425438243,-0.40174893,-8.831428228,7.844676471,-1.776153163,21.31383796,0.005051929,-4.55E-04,-6.81E-04,-3.61E-04,-4.23E-05,-9.30E-04,8.26E-04,-1.87E-04,0.002245302,0.214386238,-0.019294761,-0.028907404,-0.015313303,-0.001796005,-0.039480593,0.035069354,-0.007940231,0.095282773,1.164549448,-0.10480945,-0.157025475,-0.083182103,-0.009755926,-0.214459209,0.190497286,-0.043131461,0.517577533,0.116042078,-0.046298488,-0.006667078,-0.00818697,0.018776807,-0.030571992,0.023274162,-0.026298488,0.042077581,-0.165602689,-0.152556872,-0.051548554,0.035825916,-0.172599686,0.148353387,-0.069468584,0.37202649,-0.09,-0.134837963,-0.071428571,-0.008377425,-0.184156379,0.163580247,-0.037037037,0.444444444,-0.09,-0.134837963,-0.071428571,-0.008377425,-0.184156379,0.163580247,-0.037037037,0.444444444,-0.09,-0.134837963,-0.071428571,-0.008377425,-0.184156379,0.163580247,-0.037037037,0.444444444,-0.09,-0.134837963,-0.071428571,-0.008377425,-0.184156379,0.163580247,-0.037037037,0.444444444,-0.09,-0.134837963,-0.071428571,-0.008377425,-0.184156379,0.163580247,-0.037037037,0.444444444,-0.39898017,-0.057453966,-0.070551733,0.161810333,-0.263456091,0.200566572,-0.226628895,0.362606232,1.70099103,1.247361376,1.02229393,0.886345971,1.15762637,0.532267913,0.882982468,0,1.625,1.316550926,1.07473545,0.93143739,1.086676955,0.50154321,0.752314815,0,1.625,1.316550926,1.07473545,0.93143739,1.086676955,0.50154321,0.752314815,0,1.625,1.316550926,1.07473545,0.93143739,1.086676955,0.50154321,0.752314815,0,1.625,1.316550926,1.07473545,0.93143739,1.086676955,0.50154321,0.752314815,0,1.625,1.316550926,1.07473545,0.93143739,1.086676955,0.50154321,0.752314815,0,2.007082153,0.93506551,0.942600836,0.70147039,1.457743154,0.506373938,1.38101983,0,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,47.5484976,23.67702658,36.65055625,47.40266426,5.925333033,23.67702658,-0.194444444,5.00E-16,6.25E-17,-28.18617854,3000010.303,375001.2878,11.93130102,0,11.89,12.11011416,-0.170392061,0.049945123,5.23605134,8.270754938,7,25,25,25,7,0,0,0,0,0,19.677726,3.534483928,3.158726067,2.863458865,2.258207362,2.18392002,1.531119992,1.33214981,0.922347198,1.9340824,1.708882991,1.522833628,1.165465255,1.091617933,0.708131295,0.62252576,0.359489416,3.561317793,3.197240258,2.910543171,2.328648091,2.253323613,1.627937686,1.442861713,1.051068945,1.875412277,1.631733601,1.432672492,1.050742388,0.975709625,0.567377651,0.473240653,0.198741368,3.679518946,3.364701014,3.114259642,2.623190037,2.546003084,2.023129484,1.884943921,1.553301492,1.703151529,1.397661851,1.154054021,0.67873749,0.601565151,0.095763495,0.035334264,0.357899068,3.581098334,3.225530555,2.945094684,2.379795041,2.303876515,1.697729238,1.522049418,1.142372637,1.838077868,1.581957035,1.374050783,0.974769584,0.899064477,0.473031062,0.37260324,0.089774408,3.737189767,3.444790866,3.210733213,2.756758609,2.679762813,2.196769962,2.074844725,1.764063352,1.64954002,1.322620074,1.063286486,0.551092445,0.474040332,0.072053907,0.220196471,0.564574256,3.563125416,3.285915969,3.063705325,2.52190925,2.401877879,1.792072835,1.627016104,1.251665728,1.840779565,1.509387149,1.244209841,0.814098537,0.769985066,0.34329841,0.235437737,0.049907801,0,0,0,0,0,3,4,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.40824829,0.552585858,0.288675135,0.40824829,0.552585858,0.288675135,6.405777394,3.808060412,2.682521985,1.562948829,1.129936127,0.288675135,0.144337567,0,0.800722174,0.54400863,0.383217426,0.260491471,0.225987225,0.144337567,0.144337567,0,6.405777394,3.808060412,2.682521985,1.562948829,1.129936127,0.288675135,0.144337567,0,0.800722174,0.54400863,0.383217426,0.260491471,0.225987225,0.144337567,0.144337567,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,61,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,6.8525,0,5.51787037,0,0,0,0.962962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.256111111,0,1.34837963,0,0,0,0.962962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.340277778,0,1.410555556,0,0,0,0.962962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.666666667,0.2,2.340277778,0.2,0.962962963,6.029152778,0.37037037,0.340277778,1.705,0.37037037,0.340277778,1.705,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.375,0.125,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.49821,1.06228,8.49821,0,0,3.80805,0.47601,3.80805,0,0,0.10595,0.01324,0.10595,0.01324,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.449311833,2.997952699,2.950063756,2.894089633,23.15278265,34.39789514,63.68210766,77.94677017,76.70165767,75.24633045,0.189448582,0.281462171,0.521081426,0.637802605,0.627614422,0.615706148,3.809948078,3.377443751,2.251127885,1.702487019,1.750375962,1.806350086,0.191756937,0.284891675,0.527430595,0.645573975,0.635261652,0.623208281,6.648700044,11.83875197,15.82968534,15.53706742,16.33435566,14.29071062,31.72521615,24.13720728,21.55143116,21.17512302,20.33135472,18.84404937,8,5.142857143,5,8,0,7,2.34,1.2358,0.655185349,4.813703899,1.44224957,0,2.941682753,2.828427125,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.538,7,6,5,2,1,0,0,0,0,36,2.079441542,2.079441542,1.945910149,1.791759469,1.098612289,0.693147181,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,7,1,0,3,6,1,1.5,0.666666667,0.375,0.08,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.0625,0.016,0.027777778,0,0,0,0,0,0.415801587,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,0,146.9243357,4,3.36729583,4.007333185,4.709530201,5.370638028,6.084499413,6.751101469,7.467942332,8.135932772,8.853522561,69.74779579,2.708050201,0,3.761200116,0,4.990432587,0,6.304448802,0,7.656810091,7.96241568,114.1408506,4.390032714,14.6584741,1.832309262,0,0,0,75,6,4.831,28,1.2278,2.11761443,2.868995454,3.539278481,4.498648379,5.533468565,7.18179224,8.149714457,0,0,71.2221278,68.08752346,66.16278356,74.38123794,64.34094545,45.61131578,36.17614296,8.28063147,0,0,272.5498825,313.605011,335.0969615,386.8582916,430.6343555,359.5416045,441.0536558,253.3236414,0,0,8.919363223,15.02844115,20.09578731,24.70704828,31.36729715,37.89712103,49.28997252,54.75356319,0,0,2.081648384,2.634998592,2.975411712,3.490821247,4.140921601,3.828307983,4.934891604,3.623468219,0,0,176.77647,330.4239685,467.6398063,583.2624786,742.5233106,967.0484853,1245.251567,1507.026062,0,0,2.440753333,3.391076992,4.246726094,5.232301433,6.862767084,7.050261747,9.785607939,8.149714457,0,0,0.4321989,0.557170835,0.636008304,0.748529724,0.895874319,0.844370063,1.093700566,0.83453076,0,0,413.1513735,185.0067345,10.05125475,142.7768776,-63.93463895,-8.686500947,270.3744958,248.9413735,18.7377557,0.743173913,0.33278887,0.018080129,0.256826087,-0.115005199,-0.015625219,229.6825205,102.8504704,5.587776474,79.37369988,-35.54307202,-4.829071279,0.066175841,0.145510949,0.944244624,9.472574837,555.9282511,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,713.4812626,26.71107004,8.93567828,1.910406936,1.910406936,723.9846179,671.6417839,93.29786241,1.077932665,7.759927175,7.198897879,4.431211399,4.466158665,8.836778877,0.978608361,5.020209962,6.639728116,2.866163207,24.32112914,9.403257044,6.009815998,7.079127333,9.442500637,11.10889945,3.728602491,3.632504051,7.56102821,4.322884441,0.860264763,2.474850258,0.241081057,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.421311435,6.639327266,0.184339015,7.458642858,1.057465414,0.177347239,0.600382346,0.508825504,3.202275592,0.063405831,0.028442469,0.341267531,0.148779883,0.859561027,0.112752628,0.00169802,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.360044669,6.63935476,0.632099406,9.325651685,1.624157269,0.787877199,1.537158974,1.749009115,4.285247395,0.369090962,0.272629812,1.269832108,0.621296789,0.859696005,0.426540802,0.017694156,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,4.738668689,6.639684357,2.66672847,22.7316426,8.490149494,5.447571208,6.546064753,8.689210486,10.43703308,3.347694212,3.237997185,6.926186278,3.933091809,0.860218614,2.270681911,0.214798927,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,2.004455605,6.639389765,0.969063133,11.0749401,2.350731365,1.379201255,2.294741161,2.773570897,5.186320275,0.710309649,0.586186897,2.069126672,1.058348264,0.859791238,0.691937989,0.038433908,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,6.062630571,6.639911958,3.644610107,30.83891522,13.24073322,8.324527809,9.20773375,12.46592055,13.80978338,5.316659697,5.290600372,10.13053265,5.918549787,0.860439114,3.298422411,0.351593848,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,3.145998243,5.861721594,1.441187922,14.1479237,4.113308525,2.790803851,3.396508037,4.437458522,7.071024033,1.429440683,1.313090613,4.009919709,1.836415948,1.238209101,1.337303337,0.086789491,0.05015848,5.68E-20,1.24E-59,5.23E-121,4.25E-204,0.00E+00,0,0,0,0,0,0,0,0,6.6874255,1.148008599,0.587119941,0.793990216,0.13630172,0.505723297,0.426362491,0.42870124,8.42255404,12.27756159,25.20756575,0.690985324,1.360787028,5.704735851,0.637965703,0.179975959,0.874600322,0.097807335,0.368015513,0.131593489,0.040184237,6.522677513,4.780959611,11.95864628,0.811900483,0.53979324,6.109760955,0.848181415,0.347787747,0.836297106,0.116098104,0.422127343,0.232663842,0.150229542,7.305730116,7.60207279,16.71010359,0.754445659,0.805020728,6.664530653,1.136125257,0.57763453,0.79545233,0.13560347,0.502266469,0.417576575,0.414941744,8.37829044,12.07766981,24.82965965,0.693178495,1.334784788,6.283877301,0.938552701,0.4199268,0.822243382,0.122809328,0.446529792,0.284913233,0.219109969,7.642356802,8.930641932,19.04962202,0.733365073,0.950552993,6.758662913,1.184983741,0.616633767,0.78953756,0.138428145,0.51655506,0.454285498,0.472952483,8.560280422,12.90722643,26.40606852,0.684306339,1.44379304,6.687124622,1.140193908,0.578577182,0.795527907,0.135642167,0.505677791,0.420527754,0.416114854,8.405895712,12.15332665,24.9706528,0.69329186,1.342320399 +UMLRON0120,L,4-Methylheptane,CCCC(C)CCC,11512,,"Sandia, UML",[1],C8H18,PubChem,,26.7,0,-0.3724,0.13868176,33.5193,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1362.056143,1256.231094,947.552932,684.250059,357.282745,93.979872,9.144576,3947.642614,5029.877407,6581.332248,6822.461001,5870.288943,4361.573366,2849.893908,1341.178331,279.7536999,181.25648,180.900988,339.41734,440.170584,437.728144,372.448236,249.073444,183.793536,60.466176,30.31423229,39.56609758,56.48150844,62.14427773,56.11784073,43.08272344,29.05325415,16.01813686,4.001516144,4342.872585,3643.766351,7578.921305,10347.21917,10527.05597,9238.871444,6090.190508,4802.005979,1664.258868,40.77777778,48.5,74.5,91.91666667,89.58333333,72,52,33,9,45.09238923,49.11105724,28.37616965,19.9401761,15.04052273,12.67129739,9.924520694,3.480736,1.016064,151.8324082,201.1950963,137.1110885,108.2930318,93.17918957,80.76987715,79.16371966,49.67327153,31.08374443,6.971403077,7.23603952,7.071194583,6.986834667,6.948065778,6.897189556,6.918706778,6.807168,6.718464,1.165932011,1.582643903,1.176698093,0.986417107,0.890759377,0.797828212,0.807034838,0.593264328,0.444612905,167.033561,145.7506541,157.8941939,164.2415742,167.0961266,171.0902119,169.1719586,177.8520733,184.917652,1.568376068,1.94,1.552083333,1.458994709,1.421957672,1.333333333,1.444444444,1.222222222,1,0.036687857,-0.005850972,-0.010022378,-0.003618442,-0.00622156,0.006410055,-0.006826659,0.00305778,0.004728247,670.5194345,-58.02572029,-166.9134917,-116.0514406,-134.6769804,88.11313081,-136.8260812,85.96403006,103.1568361,1246.859521,-107.9013047,-310.3827653,-215.8026093,-250.437596,163.8501293,-254.4339406,159.8537847,191.8245416,0.131350154,-0.01136684,-0.032697207,-0.02273368,-0.026382296,0.017260757,-0.02680329,0.016839763,0.020207716,5.574042193,-0.482369036,-1.387555375,-0.964738072,-1.119572577,0.732486314,-1.137438097,0.714620794,0.857544953,30.27828566,-2.620236259,-7.537222819,-5.240472518,-6.081536008,3.978877282,-6.178581796,3.881831495,4.658197794,3.017094017,-1.157462196,-0.403353057,0.234220907,-0.893984221,0.990138067,-0.562130178,-0.094674556,0.378698225,0.001411071,-2.34E-04,-2.09E-04,-5.74E-05,-9.88E-05,1.19E-04,-1.90E-04,1.13E-04,5.25E-04,25.78920902,-2.321028812,-3.47736441,-1.842086358,-2.137729848,1.631724645,-3.800724477,3.183852965,11.46187067,47.95613541,-4.316052187,-6.46630761,-3.425438243,-3.975199937,3.034261654,-7.067609462,5.920510544,21.31383796,0.005051929,-4.55E-04,-6.81E-04,-3.61E-04,-4.19E-04,3.20E-04,-7.45E-04,6.24E-04,0.002245302,0.214386238,-0.019294761,-0.028907404,-0.015313303,-0.017770993,0.013564561,-0.031595503,0.026467437,0.095282773,1.164549448,-0.10480945,-0.157025475,-0.083182103,-0.096532318,0.073682913,-0.171627272,0.143771537,0.517577533,0.116042078,-0.046298488,-0.008403189,0.003717792,-0.014190226,0.01833589,-0.015614727,-0.003506465,0.042077581,-0.165858993,-0.147972343,-0.040703534,-0.069985771,0.084123825,-0.134386823,0.08025896,0.372313411,-0.09,-0.134837963,-0.071428571,-0.082892416,0.063271605,-0.147376543,0.12345679,0.444444444,-0.09,-0.134837963,-0.071428571,-0.082892416,0.063271605,-0.147376543,0.12345679,0.444444444,-0.09,-0.134837963,-0.071428571,-0.082892416,0.063271605,-0.147376543,0.12345679,0.444444444,-0.09,-0.134837963,-0.071428571,-0.082892416,0.063271605,-0.147376543,0.12345679,0.444444444,-0.09,-0.134837963,-0.071428571,-0.082892416,0.063271605,-0.147376543,0.12345679,0.444444444,-0.39898017,-0.072415014,0.032038311,-0.122285175,0.158010702,-0.134560907,-0.030217186,0.362606232,1.701005683,1.243712962,1.019979853,1.01173157,0.737966568,1.085044799,0.587666981,1.55E-08,1.625,1.316550926,1.07473545,1.00308642,0.752314815,1.00308642,0.50154321,0,1.625,1.316550926,1.07473545,1.00308642,0.752314815,1.00308642,0.50154321,0,1.625,1.316550926,1.07473545,1.00308642,0.752314815,1.00308642,0.50154321,0,1.625,1.316550926,1.07473545,1.00308642,0.752314815,1.00308642,0.50154321,0,1.625,1.316550926,1.07473545,1.00308642,0.752314815,1.00308642,0.50154321,0,2.007082153,0.949451133,0.843956563,1.096047484,0.639361032,1.323477337,0.920679887,0,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,47.96663102,23.88609329,37.51282513,47.82079768,5.97759971,23.88609329,-0.194444444,0.060698617,0.007587327,-2.241467498,35.64509479,4.455636849,2.858889235,0,11.89,12.11011416,-0.169148038,0.051292578,5.166289279,8.113568415,7,25,25,25,7,0,0,0,0,0,19.677726,3.529332072,3.195058212,2.755948403,2.493452742,1.932218273,1.680731392,1.269169757,0.928548971,1.932088946,1.726147067,1.463914318,1.297442762,0.942332832,0.805586637,0.584415686,0.361147009,3.556432943,3.231889696,2.807379492,2.553674276,2.012096203,1.772383688,1.382536173,1.056628289,1.873069446,1.651027204,1.368654208,1.192497264,0.817048643,0.669802562,0.432936305,0.200673912,3.675722176,3.39262472,3.028395679,2.809477666,2.343851464,2.147975038,1.834301705,1.55684911,1.699553822,1.424380432,1.071266037,0.858468533,0.405912101,0.217306605,0.084406134,0.354631252,3.576405821,3.258975059,2.845042021,2.597623259,2.069990728,1.838528324,1.463572979,1.147508447,1.835492375,1.602666577,1.306472481,1.123476362,0.733706474,0.578968445,0.33072767,0.091918289,3.733867456,3.469855466,3.132152305,2.927680647,2.492786237,2.313882392,2.02785299,1.76697975,1.645481618,1.352139987,0.973335194,0.746246752,0.263045205,0.057265899,0.272993978,0.560622017,3.561114388,3.312388402,2.974505452,2.720785426,2.176744083,1.938015646,1.568048103,1.255846921,1.836041573,1.536097577,1.168687512,0.97669752,0.597809945,0.445731481,0.193535411,0.047152599,0,0,0,0,0,3,4,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.49279928,0.348461713,0.288675135,0.49279928,0.348461713,0.288675135,6.405777394,3.808060412,2.655648531,1.747400241,0.756710003,0.49279928,0.144337567,0,0.800722174,0.54400863,0.379378362,0.291233373,0.189177501,0.164266427,0.144337567,0,6.405777394,3.808060412,2.655648531,1.747400241,0.756710003,0.49279928,0.144337567,0,0.800722174,0.54400863,0.379378362,0.291233373,0.189177501,0.164266427,0.144337567,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,63,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,6.845601852,0,5.534074074,0,0,0,0.953657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.252361111,0,1.347222222,0,0,0,0.953657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.329027778,0,1.423611111,0,0,0,0.953657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.666666667,0.2,2.329027778,0.2,0.953657407,6.030028102,0.379675926,0.329027778,1.691203704,0.379675926,0.329027778,1.691203704,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.375,0.125,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.4771,1.05964,8.4771,0,0,3.80805,0.47601,3.80805,0,0,0.10595,0.01324,0.10595,0.01324,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.52623491,3.228721929,2.99894622,2.586397325,23.15278265,34.39789514,65.68210766,83.94677017,77.97260171,67.24633045,0.189448582,0.281462171,0.537446507,0.686897849,0.638013973,0.550245824,3.809948078,3.377443751,2.174204808,1.471717789,1.701493498,2.114042393,0.191756937,0.284891675,0.543995078,0.695267424,0.645787918,0.556950349,6.648700044,11.83875197,16.75276226,16.61519435,14.89977214,13.66146233,31.72521615,24.13720728,20.30507436,19.405554,22.41087485,20.30924766,8,5.142857143,5,8,0,7,2.34,1.2358,0.66943295,4.653771984,1.5,0,3.14734519,2.555772417,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.538,7,6,4,3,1,0,0,0,0,36,2.079441542,2.079441542,1.945910149,1.609437912,1.386294361,0.693147181,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,7,1,0,3,6,1,1.5,0.666666667,0.25,0.16,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.041666667,0.04,0.018518519,0,0,0,0,0,0.409708995,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,0,146.9243357,4,3.36729583,4.007333185,4.691347882,5.361292166,6.052089169,6.72982407,7.422373701,8.102586425,8.795582217,69.52972465,2.708050201,0,3.761200116,0,4.990432587,0,6.289715571,0,7.623153068,7.934871566,114.1408506,4.390032714,14.66013744,1.832517181,0,0,0,76,6,4.831,28,1.2278,2.11761443,2.868995454,3.539523979,4.46758982,5.700746328,6.680694242,8.149714457,0,0,71.2221278,68.08752346,66.16278356,65.99938978,70.3185958,65.85283058,26.04066785,8.28063147,0,0,272.5498825,313.605011,335.0969615,370.6874305,408.7154135,487.6108124,352.8720999,253.3236414,0,0,8.919363223,15.02844115,20.09578731,24.70332923,30.95744607,39.56372487,45.57691037,54.75356319,0,0,2.081648384,2.634998592,2.975411712,3.415836306,3.883087002,4.852306451,4.131505603,3.623468219,0,0,176.77647,330.4239685,467.6398063,583.2325182,753.5137586,955.0537652,1180.185899,1507.026062,0,0,2.440753333,3.386759232,4.287736567,5.216119002,6.242004258,8.505067865,8.416571375,8.149714457,0,0,0.4321989,0.557170835,0.636008304,0.734620575,0.840366416,1.055921242,0.922959784,0.83453076,0,0,411.7576844,184.3877974,10.06620015,164.9796256,-73.87896065,-9.897244497,246.7780589,258.266758,19.96344464,0.713943207,0.31970846,0.0174537,0.286056793,-0.128098112,-0.017160749,237.4760193,106.3433222,5.805553194,95.14990545,-42.60875303,-5.708110167,0.066159019,0.145522232,1.031818969,9.66552143,576.73731,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,711.0423586,26.66537753,8.925485001,2.177133727,2.177133727,737.5840449,692.676222,87.22342175,1.064832344,8.45626129,7.941401611,4.41802835,4.466158665,8.836778877,0.978608361,5.020209962,6.63970304,2.819805568,27.05115841,9.814810798,5.557618818,6.176446412,11.52650365,9.906275282,2.965143202,3.453423711,7.897847759,4.730372909,0.860264837,2.474850258,0.241081057,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.421311435,6.639327089,0.184012514,7.480973735,1.060371448,0.171970881,0.648379071,0.51634133,3.133746187,0.100904141,0.074443128,0.343650662,0.151649858,0.859561027,0.112752628,0.00169802,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.360044669,6.63935292,0.628697017,9.533992743,1.654382069,0.749058106,1.610679945,1.923775497,4.015222215,0.422986663,0.380911383,1.294580719,0.651204137,0.859696011,0.426540802,0.017694156,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,4.738668689,6.639662015,2.625424649,25.16618618,8.856841594,5.043162687,5.779262996,10.55531418,9.314449379,2.696908065,3.11098247,7.226293925,4.296156698,0.86021868,2.270681911,0.214798927,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,2.004455605,6.639385768,0.961672691,11.51984881,2.416365392,1.300273767,2.320586526,3.139340803,4.769067789,0.722048607,0.705088196,2.12285718,1.12331102,0.85979125,0.691937989,0.038433908,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,6.062630571,6.639875388,3.577001848,34.81028503,13.84092147,7.672188774,7.713754367,15.45977856,12.29875627,4.063765066,4.875273201,10.6217168,6.512833422,0.860439222,3.298422411,0.351593848,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,3.145998243,5.861712567,1.424499169,15.26715871,4.439264277,2.615559503,3.508301107,5.447476416,6.181935189,1.340315023,1.469931102,4.13122571,1.983111796,1.238209127,1.337303337,0.086789491,0.05015848,5.68E-20,1.24E-59,5.23E-121,4.25E-204,0.00E+00,0,0,0,0,0,0,0,0,6.859036214,1.063208596,0.59753924,0.805071604,0.124792904,0.524217609,0.435615098,0.455994453,8.51978405,12.02643841,24.90382891,0.707607407,1.41582716,5.883112773,0.580735175,0.185302295,0.884791674,0.087339758,0.385594143,0.129739886,0.043768825,6.649150243,4.614296384,11.89653758,0.827187511,0.559102854,6.285341935,0.779591919,0.355216321,0.847063979,0.10506417,0.440152396,0.233982433,0.160981009,7.420150175,7.409581593,16.57029237,0.770595969,0.835115838,6.836298367,1.05196792,0.587935464,0.80652851,0.12410841,0.520745917,0.426437616,0.441439069,8.476201751,11.82935807,24.53373686,0.709792765,1.388622602,6.458259546,0.865078231,0.428257757,0.833152287,0.111600022,0.464716969,0.288198351,0.234068909,7.751595534,8.723175956,18.86740464,0.74972843,0.986984229,6.929785301,1.098183988,0.627421271,0.800632306,0.126878618,0.535093656,0.464797435,0.502795779,8.655390561,12.64709796,26.07727686,0.700948459,1.50268687,6.859568803,1.054489552,0.58909637,0.806708689,0.124011568,0.524302949,0.428368685,0.442778689,8.503154726,11.89548669,24.65977789,0.710063034,1.395450323 +UMLRON0121,L,3-Methylheptane,CCCCC(C)CC,11519,Opting for Sandia/UML values,"Sandia, UML",[1],C8H18,PubChem,,26.8,0,1.2892,1.66203664,34.8778,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1516.485775,692.383442,274.650937,78.738912,9.144576,0,3885.475125,5223.921076,7758.63172,8237.925345,5532.482072,2367.173399,874.9221648,279.7536999,0,167.819552,174.20624,341.883496,485.2951,497.348552,286.190884,83.016576,60.466176,0,29.42500648,40.12790896,63.51436973,73.84555631,56.76864549,26.36948034,9.348943289,4.001516144,0,3973.037281,3464.315612,7404.551417,11080.65075,12243.97122,7454.057255,2028.241198,1664.258868,0,36.55555556,44.5,75.16666667,102.9444444,94,49,18,9,0,48.76541633,56.15943233,37.32917321,21.97805471,9.616436694,6.539308024,6.561576,1.016064,0,161.8947969,217.6633782,161.6381608,119.3902224,76.84002878,56.3612714,72.9101804,31.08374443,0,6.992481333,7.258593333,7.122572833,7.033262319,6.907618778,6.814068667,6.918048,6.718464,0,1.226041937,1.671996207,1.323216036,1.070225454,0.78845341,0.62784477,0.779078607,0.444612905,0,165.54322,144.3464838,154.2614879,160.5891412,170.0551559,177.4775537,169.0200999,184.917652,0,1.523148148,1.854166667,1.565972222,1.49194847,1.305555556,1.166666667,1.5,1,0,0.032184881,-0.002794163,-0.003374751,-0.017556483,-0.008175392,0.015521998,-0.004542298,0.004828648,0,645.6853813,6.32E-13,-80.71067267,-403.5533633,-161.4213453,282.4873543,-80.71067267,121.066009,0,1200.679538,-5.68E-14,-150.0849423,-750.4247115,-300.1698846,525.297298,-150.0849423,225.1274134,0,0.126485333,2.94E-15,-0.015810667,-0.079053333,-0.031621333,0.055337333,-0.015810667,0.023716,0,5.367596186,1.20E-14,-0.670949523,-3.354747616,-1.341899046,2.348323331,-0.670949523,1.006424285,0,29.15686767,-1.15E-13,-3.644608459,-18.22304229,-7.289216918,12.75612961,-3.644608459,5.466912688,0,2.314814815,-0.888888889,0.314814815,-0.872685185,-0.759259259,1.421296296,-0.712962963,0.340277778,0,0.001341037,-1.16E-04,-7.03E-05,-2.54E-04,-1.14E-04,3.70E-04,-3.79E-04,5.37E-04,0,26.90355756,2.63E-14,-1.681472347,-5.848599469,-2.24196313,6.725889389,-6.725889389,13.45177878,0,50.0283141,-2.37E-15,-3.126769631,-10.87572046,-4.169026175,12.50707852,-12.50707852,25.01415705,0,0.005270222,1.22E-16,-3.29E-04,-0.0011457,-4.39E-04,0.001317556,-0.001317556,0.002635111,0,0.223649841,5.02E-16,-0.013978115,-0.048619531,-0.018637487,0.05591246,-0.05591246,0.111824921,0,1.214869486,-4.81E-15,-0.075929343,-0.264102062,-0.101239124,0.303717372,-0.303717372,0.607434743,0,0.096450617,-0.037037037,0.006558642,-0.012647611,-0.010545267,0.033840388,-0.05941358,0.037808642,0,-0.086816021,-0.052427578,-0.18973514,-0.084671142,0.275586333,-0.28226284,0.400075908,0,9.79E-16,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,-4.73E-17,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,2.32E-14,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,2.24E-15,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,-3.96E-15,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,-0.384,0.068,-0.131130435,-0.109333333,0.350857143,-0.616,0.392,0,1.523968426,1.160656604,1.242993329,0.924081426,0.372814716,1.312885028,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.909,0.7935,1.144,0.973666667,0.315428571,2.484,0,0,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,36.37046045,18.09495245,27.0767301,36.23504379,4.529380473,18.0949525,-0.180555556,4.44E-16,5.55E-17,-28.28040497,32.36841845,4.046052306,2.781746567,0,11.9,12.10012615,-0.149968906,0.050155463,5.91796875,7.969458799,8,24,24,24,8,0,0,0,0,0,17.491312,3.655766806,3.083686372,2.750129472,2.44126965,1.98485383,1.456797487,1.048635851,0.862362243,2.009462833,1.609084769,1.372874417,1.28028651,0.944510797,0.666206401,0.389383891,0.340307529,3.679464424,3.118291847,2.792995694,2.504797867,2.060065054,1.556142907,1.161811883,0.99706418,1.957193507,1.532051243,1.285229005,1.171855019,0.8242471,0.522081792,0.233630849,0.177034125,3.78376187,3.273013991,2.981537655,2.773435551,2.373411403,1.9628467,1.619577835,1.517277249,1.804623849,1.304234134,1.018928274,0.824648026,0.432252462,0.037619229,0.297324512,0.39146662,3.696923778,3.143950862,2.824624264,2.551095198,2.114622617,1.62787375,1.243233128,1.092231731,1.92402584,1.482803942,1.228596505,1.100379875,0.744460974,0.425347018,0.128567758,0.066155451,3.834691516,3.349275902,3.072480534,2.896868808,2.514757382,2.141548494,1.817637207,1.733584328,1.75730828,1.233507639,0.933903671,0.707223716,0.296913179,0.135164289,0.489848852,0.604157756,3.69204087,3.236430581,2.849225422,2.747143852,2.240598706,1.744477468,1.36150057,1.245632369,1.913033002,1.380144269,1.1655301,0.892837838,0.586754488,0.270278054,0.030577606,0.113581886,0,0,0,0,0,2,4,2,0,0,0,0,0.083333333,0.166666667,0,0,0,0.083333333,0.166666667,0.577350269,0,0,0,0.577350269,0,0,0,0.816496581,0.760079655,1.138071187,0.816496581,0.760079655,1.138071187,5.983127663,3.7876937,3.365043969,2.304530453,1.426746322,1.304737854,0.333333333,0,0.747890958,0.473461713,0.336504397,0.230453045,0.142674632,0.108728155,0.083333333,0,5.983127663,3.7876937,3.365043969,2.304530453,1.426746322,1.304737854,0.333333333,0,0.747890958,0.473461713,0.336504397,0.230453045,0.142674632,0.108728155,0.083333333,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,30.70152702,40.30404889,61.40305404,7.675381755,30.70152702,0.094421893,0.011802737,-1.887985849,23.37145629,2.921432036,2.521212369,58,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.733888889,0,5.893518519,0,0,0,2.039259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.366944444,0,1.47337963,0,0,0,1.01962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.366944444,0,1.47337963,0,0,0,1.01962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.366944444,0.2,1.01962963,5.752401111,0.313703704,0.366944444,1.467777778,0.313703704,0.366944444,1.467777778,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.39431,1.04929,8.39431,0,0,3.78768,0.47346,3.78768,0,0,0.12632,0.01579,0.21232,0.02654,0.25,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.355388542,2.188721876,2.084962501,2.355388542,22.03910002,34.03910002,56.52932501,52.52932501,50.03910002,56.52932501,0.200284263,0.309336409,0.51372035,0.477369635,0.45473927,0.51372035,3.666666667,3.166666667,2.229573959,2.396240625,2.5,2.229573959,0.200284263,0.309336409,0.51372035,0.477369635,0.45473927,0.51372035,6.73287657,12.73287657,13.67730206,11.67730206,13.40475992,13.67730206,31.59900002,23.74937501,25.33383542,28.50376042,25.96290834,25.33383542,6.125,2.52,1.8,0,0,0,2.34,1.1272,0.2,3.265986324,2,0,3.301927249,5.656854249,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,10,10,12,4,0,0,0,0,62,2.197224577,2.397895273,2.397895273,2.397895273,2.564949357,1.609437912,0,0,0,0,4.143134726,1,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,5,0.666666667,2,0.888888889,0.25,0.302222222,0,0,0,0,0,0,0.25,0.088888889,0.035714286,0.151111111,0,0,0,0,0,0,0.525714286,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,0,134.567877,4,3.610917913,4.343805422,5.129898715,5.888877958,6.670766321,7.438971592,8.217438538,8.989319566,9.765890765,76.05588679,2.833213344,0,4.043051268,0,5.451038454,0,6.940222469,0,8.463159303,8.712924435,112.1252005,4.671883355,15.53282921,1.941603651,0,0,0,62,7,4.43,36,1.224166127,2.094798552,2.82656971,3.506154152,4.094152582,4.693536152,5.363830398,0,0,0,78.54273178,87.22116534,65.92326671,34.54950735,28.44780847,32.54373606,5.449994969,0,0,0,289.3400736,362.9374319,352.5785436,273.9466147,234.4065243,355.381183,166.7279333,0,0,0,8.917064339,14.96972448,19.93143019,24.2381409,27.90156847,32.53297395,36.03670143,0,0,0,2.17096299,2.916040913,3.130286752,2.798675984,2.589360106,3.761984613,2.384828214,0,0,0,174.752874,319.6818132,449.9652141,594.7476774,726.4189345,788.2944908,991.866923,0,0,0,2.314325495,3.369627379,4.298678651,4.616683582,4.80951116,7.197795718,5.363830398,0,0,0,0.449298446,0.611694975,0.668054201,0.61184664,0.574989934,0.825204218,0.549256233,0,0,0,322.5837079,132.7125234,8.265006903,103.4346146,-42.55350899,-5.576661616,219.1490932,175.2660324,13.84166852,0.757206183,0.311518346,0.01940059,0.242793817,-0.09988657,-0.013090192,137.4265701,56.53796658,3.521044376,44.06504102,-18.12857452,-2.375760027,0.072029729,0.151474141,1.000683555,1.257605575,426.0183225,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,953.5049109,30.87887483,9.842550341,1.426147299,1.244647151,334.3919452,284.8973579,145.3027614,1.173727786,2.301346113,1.960715372,3.668354502,3.898790099,6.288840458,0.613023604,4.463030152,5.745298896,9.55497363,13.96362463,18.00146,11.87690117,11.9841974,5.329056094,8.23265695,0.006095332,1.3124671,0.011608965,1.09E-22,1.96E-64,6.85E-128,4.61E-213,5.981E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375119016,5.572299922,0.568812495,5.08323662,2.082131923,1.369235279,1.049144739,0.286667208,0.231181307,4.38E-04,0.00929553,8.18E-05,7.65E-25,1.38E-66,4.82E-130,3.25E-215,4.2E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,1.209548647,5.583860927,1.965362255,6.223271142,4.529394214,2.926458704,2.249542795,0.816226742,1.0492052,0.001461295,0.09646053,8.52E-04,7.97E-24,1.44E-65,5.03E-129,3.38E-214,4.39E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212771097,5.726305431,8.849997401,13.18201518,16.74309413,11.0257506,10.94978734,4.843587516,7.454404654,0.005702571,1.169420167,0.010343378,9.67E-23,1.75E-64,6.10E-128,4.11E-213,5.329E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,1.782358484,5.598849587,3.054017212,7.205590433,6.447556392,4.169918882,3.379905373,1.328123897,1.852816927,0.002202986,0.209397898,0.001850728,1.73E-23,3.13E-65,1.09E-128,7.35E-214,9.535E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389626864,5.825163655,12.3410037,17.12775655,22.98285151,15.26435937,16.22855277,7.327244896,11.44164018,0.00760223,1.913941231,0.016930584,1.58E-22,2.86E-64,9.99E-128,6.72E-213,8.7227E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,2.967224414,5.111836721,5.150767528,9.761240052,10.2274532,7.121915049,6.467548924,2.848369428,4.142302887,0.004479022,0.523800916,0.004630723,4.33E-23,7.83E-65,2.73E-128,1.84E-213,2.386E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,2.860439142,1.404774445,0.918608677,0.551801161,0.270992016,0.46148101,0.498458458,0.475363433,5.183822264,7.936334017,16.81137563,0.327701741,1.4353029,2.115485183,0.86856724,0.428570359,0.619900094,0.254516041,0.254274819,0.189846748,0.104550325,3.412622782,3.116317546,7.316413131,0.429850141,0.548671892,2.4104981,1.081380827,0.624206799,0.585628741,0.262720677,0.328892773,0.294720739,0.221584426,4.116085725,4.786320995,10.52950563,0.378443111,0.845197939,2.841916266,1.391484983,0.906571107,0.552904971,0.270718379,0.455572044,0.489028588,0.46323125,5.139972355,7.79236306,16.51735618,0.329357456,1.407831881,2.542383791,1.1763066,0.710957722,0.573947123,0.265553057,0.365397038,0.348964935,0.286895314,4.429648113,5.634454483,12.19030899,0.360920685,1.001257286,2.918451816,1.446384515,0.95626829,0.548467287,0.271820349,0.480239001,0.528571186,0.514256639,5.321104621,8.395158088,17.75286578,0.322700931,1.523066825,2.857087733,1.392467197,0.909098066,0.553843752,0.269928448,0.460330435,0.489744147,0.465362539,5.158652995,7.841663113,16.61707271,0.330765629,1.415437121 +UMLRON0122,L,"1,4-Dimethylcyclohexane",CC1CCC(CC1)C,11523,Sandia Ron value was averaged but one of those values was the same value as UML and the other value is unclear so we should go with UML sensitivity ,"Sandia, UML",[1],C8H16,PubChem,,68.3,0,1.3819,1.90964761,32.8025,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1410.479624,1071.500644,702.539211,236.216736,27.433728,0,0,3461.958223,4376.887272,6118.039963,6594.369706,4921.080766,2624.766494,839.2610996,0,0,160.279036,159.125208,296.735264,382.051984,493.380588,249.049728,181.398528,0,0,26.63610648,34.55010896,50.80666687,60.14350145,51.08575573,28.04682987,12.00454843,0,0,3846.242925,3210.7269,6665.652931,8481.255853,12567.38918,6084.723595,4992.776605,0,0,38.0625,44.625,68.125,94,92.25,54,27,0,0,44.61329874,48.14991518,33.58284819,19.84260452,9.757489042,6.561576,1.016064,0,0,150.5199227,198.9494215,145.6676182,122.1179575,68.34834397,72.9101804,31.08374443,0,0,6.968653739,7.232964,7.065125333,7.075036741,6.852508167,6.918048,6.718464,0,0,1.158091586,1.570459498,1.209682544,1.113768545,0.709524385,0.779078607,0.444612905,0,0,167.2279533,145.9421318,158.7060222,157.0602936,174.5470719,169.0200999,184.917652,0,0,1.654891304,2.028409091,1.62202381,1.740740741,1.28125,1.5,1,0,0,0.031308089,-0.007806788,0.009954919,-0.035290689,0.018020307,-0.015105076,0.014573283,0,0,589.5388264,-58.58770946,113.0559706,-678.7935401,286.3016583,-259.5252442,302.7794516,0,0,1096.272622,-108.9463475,210.232405,-1262.245573,532.3901592,-482.5982738,563.0313194,0,0,0.115486609,-0.01147693,0.022146888,-0.132970994,0.056084529,-0.050839214,0.059312416,0,0,4.900848691,-0.487040864,0.939836667,-5.642825007,2.380031721,-2.157438826,2.517011964,0,0,26.62148787,-2.645613702,5.10520769,-30.651915,12.92837008,-11.71924194,13.67244894,0,0,3.364130435,-2.02221172,2.519848771,-4.167414934,2.813917769,-2.232986767,1.406781664,0,0,0.001361221,-3.55E-04,2.37E-04,-6.54E-04,2.50E-04,-4.20E-04,5.40E-04,0,0,25.63212289,-2.663077703,2.691808824,-12.57025074,3.976411921,-7.209034562,11.21405376,0,0,47.66402704,-4.952106706,5.005533452,-23.37491802,7.394307767,-13.40550761,20.85301183,0,0,0.005021157,-5.22E-04,5.27E-04,-0.002462426,7.79E-04,-0.0014122,0.002196756,0,0,0.213080378,-0.022138221,0.022377063,-0.104496759,0.033055996,-0.059928856,0.093222665,0,0,1.157455995,-0.120255168,0.121552564,-0.567628056,0.179560696,-0.325534498,0.506386998,0,0,0.146266541,-0.091918715,0.059996399,-0.077174351,0.039082191,-0.06202741,0.052103025,0,0,-0.260687952,0.174124426,-0.480106583,0.183865802,-0.308241911,0.396519835,0,0,-0.103896104,0.105017007,-0.490410053,0.155133929,-0.28125,0.4375,0,0,-0.103896104,0.105017007,-0.490410053,0.155133929,-0.28125,0.4375,0,0,-0.103896104,0.105017007,-0.490410053,0.155133929,-0.28125,0.4375,0,0,-0.103896104,0.105017007,-0.490410053,0.155133929,-0.28125,0.4375,0,0,-0.103896104,0.105017007,-0.490410053,0.155133929,-0.28125,0.4375,0,0,-0.628432956,0.410185399,-0.527628194,0.267198438,-0.424071082,0.356219709,0,0,1.799361069,0.862060939,1.685310403,0.547746638,1.29890239,9.23E-05,0,0,1.642857143,1.075680272,1.673280423,0.564732143,1.129464286,0,0,0,1.642857143,1.075680272,1.673280423,0.564732143,1.129464286,0,0,0,1.642857143,1.075680272,1.673280423,0.564732143,1.129464286,0,0,0,1.642857143,1.075680272,1.673280423,0.564732143,1.129464286,0,0,0,1.642857143,1.075680272,1.673280423,0.564732143,1.129464286,0,0,0,2.229402262,0.428186784,1.843041345,0.383178514,1.634894992,0,0,0,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,36.3946862,18.08067644,27.80994209,36.22801954,5.175431363,18.08067647,-0.233333333,0.127721323,0.018245903,-1.440533189,20.26240464,2.894629234,2.106137027,0,11.89,12.11009426,-0.159452624,0.061766663,5.284182967,8.590248746,6,22,22,22,6,0,0,0,0,0,17.491312,3.559019746,3.043630064,2.333552793,2.333552793,2.205224195,1.392743986,0.464923411,0.083923071,1.936237422,1.635934057,1.249629723,1.249629723,1.112240326,0.645437315,0.083923071,0.083923071,3.583497694,3.085294105,2.405454588,2.405454588,2.27490309,1.498421471,0.569930782,0.270913902,1.879388158,1.553533088,1.134540686,1.134540686,0.99676252,0.498707768,0.270913902,0.270913902,3.692938747,3.266372735,2.704236987,2.704236987,2.567975623,1.924352126,0.966354443,0.943918427,1.715118272,1.301954111,0.76031856,0.76031856,0.623499391,0.001748192,0.943918427,0.943918427,3.601631153,3.1159022,2.457539916,2.457539916,2.325607286,1.574268049,0.643706769,0.399277246,1.843430361,1.500221837,1.058262671,1.058262671,0.92036888,0.399985398,0.399277246,0.399277246,3.747225935,3.352774406,2.838982085,2.838982085,2.701595331,2.108963702,1.207644823,1.207644823,1.664941284,1.220907543,0.631337262,0.631337262,0.496015287,0.17746893,1.124415101,1.207644823,3.573490055,3.16845246,2.612600818,2.612600818,2.395325552,1.641222903,0.628860786,0.571428571,1.85929621,1.429357542,0.898315104,0.898315104,0.820678315,0.298019687,0.571428571,0.571428571,0,0,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.560660172,0.353553391,0,0,0.75,1,0.25,0.75,1,0.25,5.914213562,3.060660172,3.310660172,1,0.75,0,0,0,0.844887652,0.510110029,0.413832521,0.25,0.25,0,0,0,5.914213562,3.060660172,3.310660172,1,0.75,0,0,0,0.844887652,0.510110029,0.413832521,0.25,0.25,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,38,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,9.050347222,0,2.649305556,0,0,0,0,0,0,0,0,0,0.550347222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.227430556,0,1.309027778,0,0,0,0,0,0,0,0,0,0.550347222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.274305556,0,1.340277778,0,0,0,0,0,0,0,0,0,0.550347222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.25,1.75,0.2,2.274305556,0,0.550347222,5.321550347,0.699652778,0.274305556,2.100694444,0.699652778,0.274305556,2.100694444,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.57143,0,0.14286,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.77542,1.11077,7.77542,0,0,3.06066,0.43724,3.06066,0,0,0.35334,0.05048,0.35334,0.05048,0,6,0,0,0,0,0,0,1,0.886540893,1.306170652,2.098586412,2.608818477,2.499098392,1.799348487,20.39044053,30.04192499,48.26748748,60.00282497,57.47926302,41.38501519,0.195982923,0.288748262,0.463923437,0.576717751,0.55246251,0.397772486,3.637021063,3.217391304,2.424975544,1.914743479,2.024463564,2.724213469,0.19880132,0.292900702,0.470595043,0.585011432,0.560407381,0.403492786,6.634953582,11.67051069,14.97587471,14.53425805,13.21761703,8.188584212,27.76507516,21.21742031,19.25152915,20.07882979,17.58212912,14.60921646,7,2.34375,6,7,0,5,2.23,1.0949,2.121320344,3.746748298,0,3.039342743,1,0,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,2.855,8,4,3,0,0,0,0,0,0,28,1.945910149,2.197224577,1.609437912,1.386294361,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,3,0.666666667,0.375,0,0,0,0,0,0,0,0.5,0.083333333,0.09375,0,0,0,0,0,0,0,0.677083333,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,0,129.6283511,3.807354922,3.36729583,3.970291914,4.812184355,5.433722004,6.285998095,6.91274282,7.767687277,8.395929104,9.25157828,69.19742968,2.564949357,0,3.80666249,0,5.198497031,0,6.650279049,0,8.123557835,8.386628821,100.1252005,4.353269587,12.44898539,1.778426484,0,0,0,46,4,4.299,28,1.224818182,2.110039005,2.925391863,3.444940648,4.267175979,5.232313993,0,0,0,0,69.72220731,81.39693149,62.85969375,40.55503078,31.45493156,5.316365885,0,0,0,0,268.787596,337.4239973,370.6491673,256.7087877,337.1835545,162.6399109,0,0,0,0,8.893455721,14.97568724,20.72627454,23.66040965,29.64489348,35.1531132,0,0,0,0,2.059771149,2.735845826,3.339002704,2.578335402,3.53287855,2.326354323,0,0,0,0,176.6115071,329.9879212,457.3961271,597.3414425,711.3323912,967.5472182,0,0,0,0,2.530176136,3.592634557,5.157394396,4.556317719,6.712325108,5.232313993,0,0,0,0,0.427911136,0.575376064,0.713318333,0.5638878,0.77341134,0.535788953,0,0,0,0,362.9564459,140.4495827,8.674593963,142.8397749,-55.27326214,-8.668901582,220.116671,195.7228448,17.34349554,0.717594223,0.277680174,0.017150373,0.282405777,-0.109279706,-0.017139119,183.5819987,71.03886815,4.387576844,72.24781835,-27.9570071,-4.384697659,0.069842332,0.168646627,1.330292731,10.97867762,505.7962209,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,633.543587,25.17029176,8.588661762,1.463026135,1.205835205,343.0854036,339.6463059,121.6553363,1.010125527,2.820142659,2.791873469,3.897399416,3.220218461,6.42424645,0.994972244,4.462408855,5.691253305,2.782204597,20.12272941,4.123250571,6.332667077,7.623546394,9.21635197,4.238703442,6.841985068,1.605890969,1.126710556,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690852363,0.151666599,8.617090788,1.027190268,0.179954175,0.370290182,0.507237778,1.057461171,0.085333591,0.01131149,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690879785,0.543514798,10.47213388,1.254393886,0.812478757,1.174393029,1.732432441,1.432442169,0.597595505,0.117866056,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691209508,2.569833129,19.24377743,3.790518363,5.735472874,6.940204694,8.487722537,3.946884091,6.121662003,1.430820678,1.00387882,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690914767,0.855589699,11.89209407,1.530546132,1.431780082,1.927233873,2.737545153,1.771323486,1.206652169,0.256018195,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691437324,3.626803976,23.57532116,5.517793769,8.794203131,10.42536321,12.13607316,5.42939028,9.857235741,2.34203757,1.643201455,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.732087054,4.529584755,1.126305987,14.49598461,2.036862164,2.638297077,2.987885591,3.999831076,2.721530226,2.391882386,0.524377099,0.367905488,2.62E-15,3.60E-51,9.54E-109,4.88E-188,4.81E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.515230743,1.123595985,1.083373056,0.614314578,0.19635735,0.492756445,0.467591148,0.472182244,5.722199784,8.975279038,18.97647646,0.421471866,1.432529836,2.802221418,0.624749326,0.590249565,0.697552338,0.155517815,0.313039937,0.144485987,0.140160276,4.017220309,3.773453934,8.82401586,0.546328507,0.5976862,3.097542806,0.831377589,0.794500868,0.655783728,0.176011739,0.382546796,0.255927656,0.253946565,4.723421263,5.696758334,12.46620022,0.483675592,0.892421018,3.498754302,1.112069446,1.071978197,0.615674158,0.19569034,0.488144785,0.458041982,0.462301706,5.682801946,8.83356029,18.68727692,0.423511237,1.408488473,3.223872632,0.9197622,0.88187159,0.641502042,0.183018809,0.414408526,0.313265435,0.312870269,5.025506422,6.619350023,14.25977872,0.462253063,1.04054423,3.566456309,1.159431947,1.118799777,0.610204734,0.198373624,0.507232827,0.497909103,0.503568242,5.844688033,9.422386108,19.89338213,0.415307102,1.508710172,3.507982808,1.114254762,1.075002078,0.615733763,0.195578005,0.490732959,0.459857886,0.464913544,5.697239647,8.877701539,18.77689485,0.423600645,1.415504389 +UMLRON0123,L,"2,2-Dimethylpentane",CCCC(C)(C)C,11542,,"Sandia, UML",[1],C7H16,PubChem,,92.8,0,0.175,0.030625,32.0903,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1912.866323,1583.031919,701.528018,153.584928,12.192768,0,0,3885.475125,5223.921076,7983.759134,8739.842576,5812.235772,2142.045985,373.0049332,0,0,167.819552,174.20624,341.907212,487.690108,557.814728,286.167168,80.621568,0,0,29.42500648,40.12790896,64.52079401,77.85914474,60.77016164,25.36305606,5.335354858,0,0,3973.037281,3464.315612,7410.01833,10889.88012,13908.23009,7448.590342,2219.011824,0,0,36.8125,44.75,76.25,109.375,103.5,49,12,0,0,48.76541633,56.15943233,39.85138173,22.94249158,8.660839728,3.656784,1.016064,0,0,161.8947969,217.6633782,166.3283153,126.6643852,71.75599718,51.00109489,31.08374443,0,0,6.992481333,7.258593333,7.123066917,7.06797258,6.88660158,6.813504,6.718464,0,0,1.226041937,1.671996207,1.344183209,1.128393402,0.750248909,0.603882287,0.444612905,0,0,165.54322,144.3464838,154.3753819,157.8243496,171.7065444,177.3473891,184.917652,0,0,1.533854167,1.864583333,1.588541667,1.585144928,1.277777778,1.166666667,1,0,0,0.031757682,-0.00388786,0.005049717,-0.029313225,-0.002099041,0.006890853,0.007480714,0,0,645.6853813,5.47E-13,40.35533633,-645.6853813,-40.35533633,161.4213453,161.4213453,0,0,1200.679538,-5.68E-14,75.04247115,-1200.679538,-75.04247115,300.1698846,300.1698846,0,0,0.126485333,2.94E-15,0.007905333,-0.126485333,-0.007905333,0.031621333,0.031621333,0,0,5.367596186,1.14E-14,0.335474762,-5.367596186,-0.335474762,1.341899046,1.341899046,0,0,29.15686767,-1.15E-13,1.822304229,-29.15686767,-1.822304229,7.289216918,7.289216918,0,0,2.372395833,-1.0703125,1.380208333,-2.143554687,-0.082356771,0.259765625,0.470052083,0,0,0.001323237,-1.62E-04,1.05E-04,-4.25E-04,-2.59E-05,1.64E-04,6.23E-04,0,0,26.90355756,2.28E-14,0.840736174,-9.35775915,-0.498214029,3.843365365,13.45177878,0,0,50.0283141,-2.37E-15,1.563384816,-17.40115273,-0.926450261,7.146902014,25.01415705,0,0,0.005270222,1.22E-16,1.65E-04,-0.001833121,-9.76E-05,7.53E-04,0.002635111,0,0,0.223649841,4.74E-16,0.006989058,-0.077791249,-0.004141664,0.031949977,0.111824921,0,0,1.214869486,-4.81E-15,0.037964671,-0.4225633,-0.022497583,0.173552784,0.607434743,0,0,0.098849826,-0.044596354,0.02875434,-0.03106601,-0.00101675,0.006184896,0.039171007,0,0,-0.122422657,0.079503871,-0.321053168,-0.019583858,0.123989853,0.471112103,0,0,8.47E-16,0.03125,-0.347826087,-0.018518519,0.142857143,0.5,0,0,-4.73E-17,0.03125,-0.347826087,-0.018518519,0.142857143,0.5,0,0,2.32E-14,0.03125,-0.347826087,-0.018518519,0.142857143,0.5,0,0,2.12E-15,0.03125,-0.347826087,-0.018518519,0.142857143,0.5,0,0,-3.96E-15,0.03125,-0.347826087,-0.018518519,0.142857143,0.5,0,0,-0.45115258,0.290889133,-0.314274806,-0.010285807,0.062568606,0.396267838,0,0,1.56031225,1.017589676,1.43827378,0.82501031,0.561942253,0.003325082,0,0,1.4375,1.16796875,1.4375,0.798611111,0.513392857,0,0,0,1.4375,1.16796875,1.4375,0.798611111,0.513392857,0,0,0,1.4375,1.16796875,1.4375,0.798611111,0.513392857,0,0,0,1.4375,1.16796875,1.4375,0.798611111,0.513392857,0,0,0,1.4375,1.16796875,1.4375,0.798611111,0.513392857,0,0,0,1.969264544,0.580680571,1.567508233,0.81538399,0.634781245,0,0,0,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,35.86878211,17.67109353,25.80643342,35.77815711,4.472269638,17.67109361,-0.18125,0.047796088,0.005974511,-2.432649186,44.49953227,5.562441534,3.036382943,0,11.9,12.10012615,-0.150248744,0.049932191,6.468125,9.068753977,8,24,24,24,8,0,0,0,0,0,17.491312,3.673255551,3.052196949,2.750129472,2.333552793,2.145105355,1.456797487,1.210901199,0.441713938,2.013708642,1.589242385,1.372874417,1.249629723,1.037732619,0.666206401,0.546797064,0.083923071,3.69558268,3.08800298,2.792995694,2.405454588,2.212954426,1.556142907,1.325510656,0.551555594,1.962583172,1.511208006,1.285229005,1.134540686,0.923130647,0.522081792,0.393028903,0.270913902,3.794782305,3.247217301,2.981537655,2.704236987,2.499839866,1.9628467,1.784358262,0.964952343,1.814793638,1.27918801,1.018928274,0.76031856,0.554434314,0.037619229,0.132939592,0.943918427,3.712084697,3.114503178,2.824624264,2.457539916,2.262420155,1.62787375,1.407627065,0.628608479,1.930259744,1.461220842,1.228596505,1.058262671,0.847449473,0.425347018,0.289204533,0.399277246,3.843725716,3.325230945,3.072480534,2.838982085,2.631339642,2.141548494,1.981263671,1.207644823,1.769484866,1.206690516,0.933903671,0.631337262,0.429191875,0.135164289,0.324777273,1.129609302,3.709736497,3.186847507,2.843630456,2.701410456,2.365021292,1.7395605,1.540572959,0.686584958,1.919274411,1.365446615,1.170933049,0.819057515,0.709144434,0.275003005,0.122348732,0.62745098,0,0,0,0,0,2,5,0,1,0,0,0,0.088388348,0.176776695,0,0,0,0.088388348,0.176776695,1.207106781,0.25,0,0,1.207106781,0.25,0,0,1.207106781,1.457106781,1.207106781,1.207106781,1.457106781,1.207106781,6.035533906,3.707106781,3.724873734,2.207106781,1.508883476,1.030330086,0.353553391,0,0.754441738,0.463388348,0.338624885,0.220710678,0.150888348,0.103033009,0.088388348,0,6.035533906,3.707106781,3.724873734,2.207106781,1.508883476,1.030330086,0.353553391,0,0.754441738,0.463388348,0.338624885,0.220710678,0.150888348,0.103033009,0.088388348,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.9767,36.866,29.99704517,41.45422905,59.99409034,7.499261292,29.99704517,0.157950336,0.019743792,-1.476379698,43.07086986,5.383858732,3.010277516,52,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,4.762222222,0,7.308958333,0,0,0,0,0,0,0,0,0,0.678819444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.381111111,0,1.451388889,0,0,0,0,0,0,0,0,0,0.678819444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.381111111,0,1.475625,0,0,0,0,0,0,0,0,0,0.678819444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.75,1.59375,0.2,2.381111111,0,0.678819444,5.746508681,0.571180556,0.381111111,1.524444444,0.571180556,0.381111111,1.524444444,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0,0.125,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.72242,1.0903,8.72242,0,0,3.70711,0.46339,3.70711,0,0,0.20689,0.02586,0.29289,0.03661,0.25,8,0,0,0,0,0,0,1,0.918295834,1.351227481,2.18979819,2.625814584,2.621653522,2.217090775,22.03910002,32.42945954,52.55515656,63.01955001,62.91968454,53.21017859,0.200284263,0.294708513,0.477604384,0.572701431,0.571793885,0.483557014,3.666666667,3.23373502,2.395164311,1.959147917,1.963308978,2.367871726,0.200284263,0.294708513,0.477604384,0.572701431,0.571793885,0.483557014,6.73287657,11.92805633,14.99670114,15.78187335,13.2084235,12.80069503,31.59900002,25.11476817,23.32880898,22.06315834,25.91927858,26.4586136,6.125,2.082644628,1.8,0,0,0,2.34,1.1272,0.5,3.701071725,0,2,6.083643419,0,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.111,0.198,0.227,3.71,11,10,10,10,4,0,0,0,0,61,2.197224577,2.48490665,2.397895273,2.397895273,2.397895273,1.609437912,0,0,0,0,4.127134385,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,2.5,0.888888889,0.375,0.222222222,0,0,0,0,0,0,0.3125,0.080808081,0.053571429,0.111111111,0,0,0,0,0,0,0.55799062,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,0,134.567877,4,3.663561646,4.394449155,5.241747015,5.993961427,6.842683282,7.601402335,8.449556543,9.210440367,10.05813811,77.45593988,2.833213344,0,4.110873864,0,5.59471138,0,7.158513997,0,8.750999691,8.981304495,112.1252005,4.671883355,15.45878878,1.932348597,0,0,0,59,7,4.528,38,1.224166127,2.094237924,2.837703581,3.462235659,4.287288804,4.69929817,0,0,0,0,78.54273178,92.80959504,69.84087384,32.29304135,15.56996024,4.774787695,0,0,0,0,289.3400736,373.7598447,374.9085729,260.3705478,217.8438897,146.0717833,0,0,0,0,8.917064339,14.96986736,20.09971422,23.89163696,29.20758224,31.57206558,0,0,0,0,2.17096299,2.966341993,3.302402898,2.686663873,2.582520332,2.08936861,0,0,0,0,174.752874,319.6015529,444.6579025,590.6758662,760.6483066,868.9831837,0,0,0,0,2.325621618,3.430510401,4.571499896,4.519241808,4.999155808,4.69929817,0,0,0,0,0.449298446,0.62102891,0.703340051,0.588468819,0.578141591,0.481208133,0,0,0,0,321.8536803,131.4459954,8.222891172,81.8922884,-33.44505292,-4.382288063,239.9613919,164.8910484,12.60517924,0.797168778,0.325566088,0.020366497,0.202831222,-0.082836871,-0.010854073,129.9471259,53.07079076,3.319959162,33.06368131,-13.50330529,-1.769331139,0.066216686,0.146451469,0.684084356,1.160636704,403.7459687,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,966.5133885,31.08879844,9.887108304,1.3716744,1.3716744,303.3101519,266.3945771,159.8266801,1.138574798,1.897744179,1.666771636,3.626145416,3.651473827,5.904977379,0.617149036,4.463030152,6.231246365,6.837633902,10.88430292,22.36974835,11.7646149,11.76944373,6.257713045,6.330015961,0.094381613,0.405386603,4.20E-16,8.41E-53,3.25E-111,2.42E-191,3.47E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375119016,5.57572249,0.490820653,4.350945273,1.123392107,3.325383454,0.917545023,0.204858185,0.122884835,6.65E-04,0.002855171,2.96E-18,5.92E-55,2.29E-113,1.70E-193,2.44E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.209548647,5.619526722,1.614479357,5.024266163,4.100689585,4.838265802,1.899561946,0.872367458,0.665760378,0.006927076,0.029753083,3.09E-17,6.17E-54,2.38E-112,1.77E-192,2.54E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212771097,6.159275878,6.388287747,10.25075143,20.58810256,11.17377047,10.66887295,5.686219389,5.693845838,0.084092318,0.361192165,3.75E-16,7.49E-53,2.89E-111,2.15E-191,3.09E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.782358484,5.67632046,2.436864976,5.682529664,6.548185581,5.93908965,2.93981482,1.499244817,1.253437274,0.015046536,0.064627672,6.70E-17,1.34E-53,5.17E-112,3.85E-192,5.53E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389626864,6.533872369,8.570392928,13.49527606,29.51247367,14.03649524,16.33966306,8.601851619,8.976333924,0.137646712,0.591218261,6.13E-16,1.23E-52,4.73E-111,3.52E-191,5.06E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.965149212,5.241737519,3.874484604,7.734461384,11.47984904,8.55956034,5.772694665,3.079795162,2.863265266,0.037157544,0.15959857,1.66E-16,3.31E-53,1.28E-111,9.51E-192,1.36E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.479514822,1.414230778,1.107091766,0.495819928,0.282798794,0.516392398,0.476757773,0.448349385,5.000837366,7.817339868,16.70031206,0.243729892,1.441499556,1.832699571,0.877549636,0.548044161,0.562472241,0.269328,0.281717939,0.185185915,0.110759795,3.258293368,3.093621094,7.233325578,0.343708361,0.577663649,2.089455252,1.090578613,0.770341419,0.528925761,0.276069622,0.366358508,0.284969525,0.218187825,3.950375283,4.728427008,10.434191,0.293388641,0.869515858,2.463488409,1.400929584,1.093278893,0.49690178,0.282576692,0.50971709,0.467923087,0.437329334,4.957696886,7.676060418,16.40685277,0.24535267,1.414969511,2.203963347,1.185580374,0.869320957,0.517500206,0.278379442,0.407716922,0.336250167,0.277464407,4.258864678,5.55957708,12.08995628,0.276250309,1.021431496,2.529693049,1.455879247,1.150326394,0.492551197,0.283471177,0.537576151,0.504949315,0.483707885,5.13589869,8.267636618,17.64010415,0.238826796,1.526233351,2.470440157,1.402063718,1.09898729,0.496921361,0.28202076,0.512587991,0.46847145,0.441487345,4.971491164,7.719547048,16.49761644,0.245382042,1.422546787 +UMLRON0124,L,"1,1-Dimethylcyclohexane",CC1(CCCCC1)C,11549,,"Sandia, UML",[1],C8H16,PubChem,,87.3,0,1.0939,1.19661721,35.7141,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1604.188161,1268.257373,899.29594,675.105483,236.216736,27.433728,0,3947.642614,5029.877407,7031.587075,7601.168051,5927.879111,4081.819666,2624.766494,839.2610996,0,181.25648,180.900988,339.464772,444.936884,556.265488,311.98206,249.049728,181.398528,0,30.31423229,39.56609758,58.49435701,69.16503031,60.10728459,39.0812073,28.04682987,12.00454843,0,4342.872585,3643.766351,7589.85513,9960.211008,14046.34434,7574.612576,6084.723595,4992.776605,0,42.3125,49.875,77.375,106.375,103,65.25,54,27,0,45.09238923,49.11105724,33.42058669,20.13106941,11.10241901,15.00234407,6.561576,1.016064,0,151.8324082,201.1950963,146.4913974,120.6534611,73.18369273,90.70710369,72.9101804,31.08374443,0,6.971403077,7.23603952,7.07218275,7.062490222,6.86747516,6.932934667,6.918048,6.718464,0,1.165932011,1.582643903,1.218632438,1.097857624,0.742065242,0.868471273,0.779078607,0.444612905,0,167.033561,145.7506541,158.1219819,158.0985874,173.4116585,168.3247239,169.0200999,184.917652,0,1.627403846,1.995,1.611979167,1.688492063,1.271604938,1.45,1.5,1,0,0.035536039,-0.007787753,0.007856318,-0.035923679,0.015800727,0.002828614,-0.015115395,0.014573148,0,670.5194345,-58.02572029,75.2185263,-684.1304059,295.1431699,-15.04370526,-257.8920902,309.4705082,0,1246.859521,-107.9013047,139.8720616,-1272.169703,548.8313274,-27.97441232,-479.5613541,575.4736249,0,0.131350154,-0.01136684,0.014734793,-0.13401645,0.057816521,-0.002946959,-0.05051929,0.060623148,0,5.574042193,-0.482369036,0.625293195,-5.687190485,2.453531393,-0.125058639,-2.143862382,2.572634858,0,30.27828566,-2.620236259,3.396602558,-30.89290898,13.32762147,-0.679320512,-11.64549448,13.97459338,0,3.540865385,-1.98881287,2.414940828,-3.916327663,1.233265533,1.386002219,-2.220044379,1.320543639,0,0.001366771,-3.12E-04,1.64E-04,-5.70E-04,1.95E-04,6.29E-05,-4.20E-04,5.40E-04,0,25.78920902,-2.321028812,1.567052631,-10.85921279,3.643742838,-0.334304561,-7.163669172,11.46187067,0,47.95613541,-4.316052187,2.914001283,-20.19316989,6.7756954,-0.621653607,-13.32114872,21.31383796,0,0.005051929,-4.55E-04,3.07E-04,-0.002127245,7.14E-04,-6.55E-05,-0.001403314,0.002245302,0,0.214386238,-0.019294761,0.013026942,-0.090272865,0.030290511,-0.002779081,-0.059551733,0.095282773,0,1.164549448,-0.10480945,0.070762553,-0.490363635,0.164538537,-0.015096011,-0.323485958,0.517577533,0,0.13618713,-0.079552515,0.050311267,-0.062163931,0.0152255,0.030800049,-0.061667899,0.048909024,0,-0.227916871,0.11975182,-0.417200276,0.142723797,0.045990225,-0.307200093,0.394906202,0,-0.09,0.060763889,-0.421075838,0.141289438,-0.012962963,-0.277777778,0.444444444,0,-0.09,0.060763889,-0.421075838,0.141289438,-0.012962963,-0.277777778,0.444444444,0,-0.09,0.060763889,-0.421075838,0.141289438,-0.012962963,-0.277777778,0.444444444,0,-0.09,0.060763889,-0.421075838,0.141289438,-0.012962963,-0.277777778,0.444444444,0,-0.09,0.060763889,-0.421075838,0.141289438,-0.012962963,-0.277777778,0.444444444,0,-0.584141208,0.369427472,-0.45645966,0.111798379,0.226159765,-0.452817379,0.359131025,0,1.763283632,0.940820702,1.593279874,0.603326428,0.881922287,1.300651208,9.25E-05,0,1.625,1.128472222,1.57627866,0.612997257,0.902777778,1.128472222,0,0,1.625,1.128472222,1.57627866,0.612997257,0.902777778,1.128472222,0,0,1.625,1.128472222,1.57627866,0.612997257,0.902777778,1.128472222,0,0,1.625,1.128472222,1.57627866,0.612997257,0.902777778,1.128472222,0,0,1.625,1.128472222,1.57627866,0.612997257,0.902777778,1.128472222,0,0,2.188730482,0.478049332,1.747594263,0.542061636,0.66191446,1.765105227,0,0,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,47.85390908,23.80195454,37.41143796,47.66640908,5.958301135,23.80195454,-0.25,0.129772204,0.016221526,-1.633579713,75.72511441,9.465639302,3.461687894,0,11.89,12.11011416,-0.159448846,0.061790222,5.205589227,8.7472726,7,25,25,25,7,0,0,0,0,0,19.677726,3.57125256,3.191579358,2.54473899,2.333552793,2.333552793,1.812824763,1.254133619,0.464899437,1.945383925,1.719364226,1.311224379,1.249629723,1.249629723,0.866487835,0.57735301,0.083923071,3.595612306,3.227979241,2.601081114,2.405454588,2.405454588,1.896469961,1.368377689,0.569922726,1.889120504,1.644385963,1.209577427,1.134540686,1.134540686,0.736565279,0.425224355,0.270913902,3.70435032,3.387219397,2.842426826,2.704236987,2.704236987,2.243648668,1.823342829,0.966354442,1.726357108,1.418750942,0.889018129,0.76031856,0.76031856,0.308479981,0.094855811,0.943918427,3.613648314,3.254768858,2.642312746,2.457539916,2.457539916,1.957099657,1.450028521,0.643703622,1.853519995,1.596162629,1.142952992,1.058262671,1.058262671,0.649998988,0.322540888,0.399277246,3.758199523,3.463942957,2.955034526,2.838982085,2.838982085,2.399146568,2.018070404,1.207644823,1.676557494,1.347053394,0.782465777,0.631337262,0.631337262,0.159166486,0.284658169,1.124415117,3.592511384,3.288705391,2.710328052,2.629038207,2.629038207,2.021910218,1.534677028,0.640305431,1.864826249,1.54234601,1.046084893,0.883583662,0.883583662,0.548613506,0.204748666,0.581818182,0,0,0,0,0,4,3,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.560660172,0.353553391,0,0,0.75,0.780330086,0.707106781,0.75,0.780330086,0.707106781,6.621320344,3.560660172,3.664213562,1.280330086,0.707106781,0.530330086,0,0,0.827665043,0.508665739,0.40713484,0.256066017,0.176776695,0.176776695,0,0,6.621320344,3.560660172,3.664213562,1.280330086,0.707106781,0.530330086,0,0,0.827665043,0.508665739,0.40713484,0.256066017,0.176776695,0.176776695,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,56,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,9.124722222,0,4.073680556,0,0,0,0,0,0,0,0,0,0.551597222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.241805556,0,1.330625,0,0,0,0,0,0,0,0,0,0.551597222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.294305556,0,1.378472222,0,0,0,0,0,0,0,0,0,0.551597222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.75,1.71875,0.2,2.294305556,0,0.551597222,6.040535347,0.698402778,0.294305556,2.249444444,0.698402778,0.294305556,2.249444444,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0,0.125,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.21764,1.15221,9.21764,0,0,3.56066,0.44508,3.56066,0,0,0.35334,0.04417,0.35334,0.04417,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.266431544,2.82374789,2.556262566,2.270619836,23.15278265,34.39789514,58.92722016,73.41744515,66.46282671,59.03611572,0.189448582,0.281462171,0.482174367,0.60074122,0.543834773,0.483065409,3.809948078,3.377443751,2.434008174,1.876691828,2.144177152,2.429819883,0.191756937,0.284891675,0.488049468,0.608061011,0.550461182,0.488951368,6.648700044,11.83875197,16.17177764,14.72320287,13.56585183,12.20153287,31.72521615,24.13720728,21.00134079,22.66511845,25.17010226,17.61068002,8,3.111111111,7.2,8,0,6,2.34,1.2358,1.897366596,4.669630297,0,2.828427125,2.381101578,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,3.354,9,5,4,3,0,0,0,0,0,36,2.079441542,2.302585093,1.791759469,1.609437912,1.386294361,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,3,0.666666667,0.375,0.24,0,0,0,0,0,0,0.428571429,0.074074074,0.075,0.06,0,0,0,0,0,0,0.637645503,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,0,146.9243357,4,3.496507561,4.110873864,4.934473933,5.579729826,6.408528791,7.065613364,7.89469085,8.556990661,9.385721231,72.43313008,2.708050201,0,3.931825633,0,5.303304908,0,6.736966958,0,8.201111644,8.467792841,114.1408506,4.390032714,14.44048295,1.805060369,0,0,0,71,5,4.868,32,1.2278,2.116401194,2.918587944,3.465007628,4.405258471,5.484764116,6.138480966,0,0,0,71.2221278,80.92015264,64.93105719,47.51698448,79.38511742,38.05173506,6.237089524,0,0,0,272.5498825,339.0696678,368.8246048,281.8680127,446.8544443,415.4553899,190.8069735,0,0,0,8.919363223,15.03311663,20.64646756,23.86982524,30.68595721,38.01811056,41.24116338,0,0,0,2.081648384,2.75612872,3.303131567,2.751356493,4.142634869,4.397490145,2.729247854,0,0,0,176.77647,329.9402209,459.0385968,595.4077814,730.5638275,921.1211796,1135.113487,0,0,0,2.497185,3.568658161,5.001883782,4.544397236,6.732779766,8.413155912,6.138480966,0,0,0,0.4321989,0.579781655,0.705309239,0.598803461,0.892148095,0.964586557,0.628580451,0,0,0,391.5381323,172.283213,9.44649474,156.457041,-68.84366936,-9.456088369,235.0810913,241.1268824,18.90258311,0.714491936,0.314388194,0.017238281,0.285508064,-0.12562824,-0.017255788,214.5610067,94.41036917,5.176633522,85.73770331,-37.72599852,-5.181890785,0.061439737,0.148349132,0.975886085,9.657336922,547.9951733,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,748.8234176,27.36463809,9.080849384,1.797339331,1.797339331,558.7789879,550.8463865,129.478073,1.01440075,4.315626382,4.2543604,4.336544553,4.466158665,7.63628977,0.709811572,5.020209962,6.639770612,3.078537103,25.09560717,6.09810022,6.420934497,6.785246272,14.29731964,5.763973498,4.720457044,4.717288053,0.747575036,2.359766293,1.267677842,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327565,0.173783531,9.630483387,1.041256612,0.180591252,0.481350622,0.696664756,2.094706304,0.156213696,0.130201999,0.012978944,0.133620008,0.008928359,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639357879,0.616724454,11.75333883,1.399740853,0.81897146,1.314231678,2.500080954,2.607983233,0.661929297,0.594717192,0.062150911,0.473789074,0.093040381,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.63972222,2.847651788,23.78308167,5.550182168,5.814119246,6.238759141,13.1205644,5.455961186,4.29035254,4.269560292,0.666952819,2.183070706,1.129478135,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.63939654,0.965322037,13.51760064,1.845872048,1.445864917,2.020744317,4.02690442,3.030315586,1.135558726,1.053681534,0.125828036,0.741223166,0.202096141,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.639973935,3.993645313,30.37059326,8.397413259,8.922925757,8.990954092,19.04505166,6.999078908,6.4840317,6.564535788,1.086561589,3.059875882,1.848788995,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.115572728,5.418217405,1.312044094,17.13171527,2.780460653,2.757057474,3.04471913,6.676754047,3.808500971,2.036259648,2.022499939,0.261127894,1.313975984,0.429124665,1.22E-06,2.71E-33,1.16E-81,9.60E-152,1.53E-243,0,0,0,0,0,0,0,0,0,0,0,5.099727857,1.100412859,1.021895088,0.706134391,0.15236879,0.513950869,0.471414498,0.463843564,7.222035804,11.94769945,24.90441235,0.559201587,1.44920893,4.294087041,0.602893026,0.532345256,0.790906197,0.11104382,0.365308142,0.141786134,0.125876798,5.429325323,5.195759236,12.00325995,0.686359295,0.632971075,4.626048027,0.808042386,0.734117984,0.749982447,0.131001149,0.423497885,0.254524111,0.23938153,6.168208397,7.727306386,16.63967929,0.62497367,0.917403526,5.080949681,1.088829808,1.010489485,0.70762665,0.151641925,0.510198864,0.461569358,0.453547219,7.180268973,11.76678676,24.53737606,0.561439975,1.425315441,4.768795642,0.896193276,0.820858114,0.735261812,0.138176752,0.449837896,0.312974651,0.299291996,6.485847033,8.923914712,18.91791445,0.602892718,1.062104543,5.158158539,1.136451264,1.057383672,0.701599989,0.154577295,0.525713478,0.502704884,0.496619892,7.351993474,12.51781341,26.06818552,0.552399983,1.525038254,5.094696684,1.0909593,1.013817623,0.707648498,0.151533204,0.5129135,0.463324537,0.456539737,7.199473607,11.82923378,24.66361394,0.561472747,1.432777774 +UMLRON0125,L,"2,2-Dimethylhexane",CCCCC(C)(C)C,11551,,"Sandia, UML",[1],C8H18,PubChem,,72.5,0,0.5524,0.30514576,33.7512,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1516.485775,813.449451,220.131072,21.337344,0,0,3885.475125,5223.921076,7758.63172,8237.925345,5757.609485,2643.963217,652.758633,0,0,167.819552,174.20624,341.883496,485.2951,497.372268,288.562176,141.087744,0,0,29.42500648,40.12790896,63.51436973,73.84555631,57.77506978,29.37664449,9.336871002,0,0,3973.037281,3464.315612,7404.551417,11080.65075,12249.43814,7257.819716,3883.270693,0,0,36.55555556,44.5,75.19444444,102.5833333,94.33333333,55,21,0,0,48.76541633,56.15943233,37.32917321,21.97805471,11.29790904,5.241216,1.016064,0,0,161.8947969,217.6633782,161.6381608,119.3902224,79.96679841,62.95150517,31.08374443,0,0,6.992481333,7.258593333,7.122572833,7.033262319,6.907948167,6.870528,6.718464,0,0,1.226041937,1.671996207,1.323216036,1.070225454,0.802431525,0.699443916,0.444612905,0,0,165.54322,144.3464838,154.2614879,160.5891412,170.1310852,172.8052313,184.917652,0,0,1.523148148,1.854166667,1.566550926,1.486714976,1.310185185,1.30952381,1,0,0,0.032199942,-0.002797727,-0.003697588,-0.018142177,0.001119485,-0.004814924,0.012232959,0,0,645.6853813,6.32E-13,-80.71067267,-403.5533633,-40.35533633,-80.71067267,282.4873543,0,0,1200.679538,0,-150.0849423,-750.4247115,-75.04247115,-150.0849423,525.297298,0,0,0.126485333,2.94E-15,-0.015810667,-0.079053333,-0.007905333,-0.015810667,0.055337333,0,0,5.367596186,1.20E-14,-0.670949523,-3.354747616,-0.335474762,-0.670949523,2.348323331,0,0,29.15686767,-1.14E-13,-3.644608459,-18.22304229,-1.822304229,-3.644608459,12.75612961,0,0,2.314814815,-0.888888889,0.342592593,-1.233796296,0.768518519,-0.939814815,0.793981481,0,0,0.001341664,-1.17E-04,-7.70E-05,-2.63E-04,1.55E-05,-1.15E-04,5.83E-04,0,0,26.90355756,2.63E-14,-1.681472347,-5.848599469,-0.560490782,-1.921682683,13.45177878,0,0,50.0283141,0,-3.126769631,-10.87572046,-1.042256544,-3.573451007,25.01415705,0,0,0.005270222,1.22E-16,-3.29E-04,-0.0011457,-1.10E-04,-3.76E-04,0.002635111,0,0,0.223649841,5.02E-16,-0.013978115,-0.048619531,-0.004659372,-0.015974989,0.111824921,0,0,1.214869486,-4.74E-15,-0.075929343,-0.264102062,-0.025309781,-0.086776392,0.607434743,0,0,0.096450617,-0.037037037,0.007137346,-0.017881106,0.010673868,-0.022376543,0.037808642,0,0,-0.086886076,-0.057416064,-0.195973098,0.011588896,-0.085446892,0.434178552,0,0,9.79E-16,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,0,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,2.32E-14,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,2.24E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,-3.90E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,-0.384,0.074,-0.185391304,0.110666667,-0.232,0.392,0,0,1.52427482,1.164805064,1.242354694,0.820810083,0.919861694,0.002465251,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.909,0.78775,1.196,0.732166667,1.360285714,0,0,0,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,35.83226547,17.82585496,25.82505281,35.72762192,4.46595274,17.82585502,-0.180555556,0.003886333,4.86E-04,-4.440231442,56.95949686,7.119937107,3.233872347,0,11.89,12.11011416,-0.163184458,0.057757171,5.99173565,8.131494617,8,24,24,24,8,0,0,0,0,0,17.491312,3.657350533,3.042364541,2.853663763,2.228199052,2.17548746,1.377970367,1.099508061,0.848898167,2.009882053,1.585950347,1.461105401,1.122580275,1.066605404,0.622488404,0.413035098,0.330410394,3.680932934,3.078435564,2.895085076,2.297520321,2.243749091,1.481273271,1.209688389,0.983826043,1.957719315,1.506815679,1.37483188,1.009371871,0.952794097,0.47545632,0.259521562,0.166688749,3.784792767,3.239284907,3.077882533,2.587690342,2.531187307,1.901999654,1.656579633,1.505179962,1.805580128,1.271648566,1.11426999,0.642452217,0.585704835,0.021015099,0.262056834,0.403334114,3.698311237,3.105160529,2.925676806,2.347875851,2.293440723,1.555731248,1.289020676,1.079174122,1.924629286,1.45612622,1.31921624,0.934416605,0.877571657,0.376614638,0.156092313,0.055506268,3.83554735,3.318282267,3.166469981,2.719383743,2.662420938,2.08581738,1.850629028,1.722040714,1.758439799,1.19828528,1.031595087,0.516627122,0.460560939,0.199076829,0.450448455,0.616550127,3.693337584,3.202528088,2.992569805,2.501366942,2.414575883,1.676969391,1.403180493,1.232251244,1.913934192,1.349624362,1.230310518,0.753942722,0.722583699,0.2174035,7.08E-04,0.124359124,0,0,0,0,0,2,4,2,0,0,0,0,0.083333333,0.166666667,0,0,0,0.083333333,0.166666667,0.577350269,0,0,0,0.577350269,0,0,0,0.741581624,1.093412989,1.020220057,0.741581624,1.093412989,1.020220057,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,30.91733718,41.28122386,61.83467437,7.729334296,30.91733718,1.11E-16,1.39E-17,-29.38944046,4000010.293,500001.2866,12.16144599,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.741388889,0,5.899814815,0,0,0,2.025462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.472222222,0,0,0,1.012731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.476527778,0,0,0,1.012731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.370694444,0.2,1.012731481,5.7528125,0.320601852,0.370694444,1.482777778,0.320601852,0.370694444,1.482777778,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.42549,1.05319,8.42549,0,0,3.78768,0.47346,3.78768,0,0,0.12632,0.01579,0.21232,0.02654,0.25,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.605388542,3.105388542,3.105388542,3.105388542,22.03910002,34.03910002,62.52932501,74.52932501,74.52932501,74.52932501,0.200284263,0.309336409,0.568246423,0.677298569,0.677298569,0.677298569,3.666666667,3.166666667,1.979573959,1.479573959,1.479573959,1.479573959,0.200284263,0.309336409,0.568246423,0.677298569,0.677298569,0.677298569,6.73287657,12.73287657,16.67730206,17.18121457,17.18121457,17.18121457,31.59900002,23.74937501,20.87142917,19.56315834,19.56315834,19.56315834,6.125,2.52,1.8,0,0,0,2.34,1.1272,0.25,3.039342743,2.309401077,0,3.532775529,5.111544834,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,10,11,10,5,0,0,0,0,62,2.197224577,2.397895273,2.397895273,2.48490665,2.397895273,1.791759469,0,0,0,0,4.143134726,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,2,0.666666667,0.5,0.222222222,0,0,0,0,0,0,0.25,0.066666667,0.071428571,0.074074074,0,0,0,0,0,0,0.462169312,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,0,134.567877,4,3.610917913,4.343805422,5.141663557,5.888877958,6.690842277,7.44132039,8.24407127,8.995288991,9.798182591,76.15497037,2.833213344,0,4.043051268,0,5.451038454,0,6.947937069,0,8.479906607,8.727292029,112.1252005,4.671883355,15.53295821,1.941619777,0,0,0,61,7,4.43,36,1.224166127,2.094794846,2.815360989,3.489894013,4.439762854,5.234822833,0,0,0,0,78.54273178,86.43663066,67.8113012,45.08600372,24.51685715,5.318915027,0,0,0,0,289.3400736,361.1040737,354.6330967,300.4382172,288.8958816,162.7178951,0,0,0,0,8.917064339,14.96718785,19.8493851,24.17740647,30.5483984,35.16996875,0,0,0,0,2.17096299,2.906091803,3.130761575,2.946641408,3.180581352,2.327469786,0,0,0,0,174.752874,319.837531,448.5568451,588.4393715,763.6391302,968.0111471,0,0,0,0,2.316970341,3.363889538,4.261770818,4.721366424,5.924555878,5.234822833,0,0,0,0,0.449298446,0.609779712,0.667645828,0.640414087,0.702831927,0.536045858,0,0,0,0,321.0794086,132.0896224,8.183305806,78.87321786,-32.4478409,-4.160308244,242.2061907,164.5374633,12.34361405,0.802793599,0.33026317,0.020460688,0.197206401,-0.081129211,-0.010402003,128.4165528,52.82959141,3.27293465,31.54555064,-12.97759919,-1.663926209,0.072048215,0.151462109,1.219298384,1.257505672,399.9526264,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,944.3601888,30.73044401,9.810983759,1.450520005,1.450520005,381.2891891,275.4956943,155.7912984,1.384011427,2.447435723,1.768363812,3.772133311,3.780722771,6.119384403,0.618575276,4.463030408,6.04063106,10.54903683,10.27695489,18.11070208,7.982806813,8.977707478,8.889325298,6.051727121,1.418965368,2.063211621,5.11E-07,2.09E-34,1.66E-83,2.53E-154,7.43E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375119018,5.574379929,0.709898736,4.143463853,0.980576918,1.563715784,1.875205062,0.452500548,0.215868777,0.048916832,0.014531368,3.60E-09,1.48E-36,1.17E-85,1.78E-156,5.23E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.209548666,5.605536529,2.36556285,4.903279592,3.501264153,2.643424374,2.573215013,1.406741644,0.88926181,0.204144599,0.15142806,3.75E-08,1.54E-35,1.22E-84,1.85E-155,5.45E-248,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212771325,5.989441044,9.821913408,9.727356866,16.71675408,7.508268493,8.276948801,8.101173223,5.511268929,1.291073351,1.83828441,4.55E-07,1.87E-34,1.48E-83,2.25E-154,6.62E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.782358525,5.645931995,3.606852369,5.57100193,5.521412669,3.453069916,3.275590724,2.289802073,1.505279484,0.347648947,0.328921981,8.15E-08,3.34E-35,2.64E-84,4.03E-155,1.18E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389627238,6.255877998,13.3829241,12.50955793,23.66387409,9.832420878,11.87426607,12.11594233,8.260800307,1.94247179,3.009000246,7.45E-07,3.06E-34,2.42E-83,3.68E-154,1.08E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.967193635,5.314903157,6.001497642,7.323199855,9.59201458,5.152280359,5.42735884,4.72040677,3.229093153,0.767965652,0.822998542,2.04E-07,8.36E-35,6.61E-84,1.01E-154,2.96E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.058983373,1.717931863,0.67707967,0.560870229,0.314985968,0.522422968,0.507720656,0.420623378,5.453994906,8.489477195,17.5016104,0.341305344,1.450767002,2.233968092,1.169777309,0.222885384,0.615989943,0.322552082,0.279600997,0.235449416,0.046118985,3.626630785,3.371890284,7.580975225,0.423984915,0.561169398,2.561347011,1.387521326,0.403532162,0.588490653,0.318794497,0.366920236,0.331241845,0.150505751,4.3524005,5.147418981,10.93394196,0.382735979,0.848667832,3.038531807,1.704364152,0.66585856,0.561780313,0.315112129,0.515490141,0.499735204,0.406921799,5.408754519,8.33686256,17.19394188,0.34267047,1.422147145,2.707405743,1.484562455,0.483937736,0.579012021,0.317491942,0.409710374,0.379182186,0.216003492,4.675905934,6.047964516,12.66896764,0.368518031,1.004896052,3.123018961,1.760407985,0.712203533,0.55811744,0.314604045,0.544431012,0.533129594,0.464948749,5.595630479,8.975781441,18.48695561,0.337176161,1.542509355,3.054454474,1.707393034,0.667643312,0.562567389,0.314466511,0.52083036,0.501525612,0.40879914,5.42949082,8.394369934,17.30572364,0.343851083,1.431155113 +UMLRON0126,L,"1,3-Dimethylcyclohexane",CC1CCCC(C1)C,11564,Sandia values from biocompoundML paper because source [9] from UML is unknown probably should use Sandia Sensitivity,"Sandia, UML",[9],C8H16,PubChem,,69.3,0,1.1748,1.38015504,32.6229,20.321516,0,0,19,7,12,0,7,0,0,0,0,0,0,0,0,0,1022.041615,1155.133903,1426.565288,1076.576093,387.593305,64.685376,3.048192,0,0,3337.623245,4341.457709,6098.843241,5827.549678,3265.869607,956.2863764,93.25123329,0,0,133.40518,138.195196,257.222816,344.4917,303.619492,135.965952,20.155392,0,0,24.85765486,32.88483172,49.47685225,52.23754716,33.9480202,11.56798372,1.333838715,0,0,3106.572317,2725.031065,5492.556811,7880.085549,7505.941516,3571.172623,554.7529561,0,0,32.52777778,39.25,63.25,77.91666667,60.33333333,24,3,0,0,53.79166395,60.79652121,39.62681356,21.97094067,8.80893875,3.2342688,1.016064,0,0,175.6643813,228.4977741,169.4123122,118.9295853,74.22430925,47.81431882,31.08374443,0,0,7.021325263,7.273431368,7.145078222,7.030442857,6.900443,6.7982976,6.718464,0,0,1.308297624,1.730780617,1.374357007,1.066072391,0.771545914,0.578399186,0.444612905,0,0,163.5038062,143.4226876,152.5710225,160.8180724,170.5895799,178.5586312,184.917652,0,0,1.711988304,2.065789474,1.756944444,1.590136054,1.371212121,1.2,1,0,0,0.039582689,-0.001341146,-0.015546466,-0.012327222,-0.001742791,0.007197649,0.003968631,0,0,535.2391977,4.76E-13,-134.8158881,-284.3877441,-47.95689553,150.2425818,49.29834716,0,0,995.3001436,-8.53E-14,-250.6959008,-528.831154,-89.17789507,279.3824965,91.67238165,0,0,0.104849684,1.51E-15,-0.026409507,-0.055709607,-0.009394427,0.02943149,0.009657208,0,0,4.449454733,4.05E-15,-1.12072732,-2.364121312,-0.398666683,1.24896975,0.409818199,0,0,24.16950873,7.99E-14,-6.087808589,-12.84194449,-2.165563752,6.784423503,2.226138962,0,0,2.631578947,-0.263157895,-0.525623269,-0.944598338,-0.053247153,0.276700523,0.194136657,0,0,0.002083299,-7.06E-05,-4.32E-04,-2.52E-04,-3.96E-05,3.60E-04,0.001322877,0,0,28.17048409,2.51E-14,-3.744885782,-5.803831513,-1.089929444,7.51212909,16.43278239,0,0,52.38421809,-4.49E-15,-6.963775023,-10.79247253,-2.026770343,13.96912482,30.55746055,0,0,0.005518404,7.93E-17,-7.34E-04,-0.001136931,-2.14E-04,0.001471575,0.003219069,0,0,0.234181828,2.13E-16,-0.031131314,-0.048247374,-0.009060606,0.062448487,0.136606066,0,0,1.272079407,4.21E-15,-0.169105794,-0.2620805,-0.049217358,0.339221175,0.742046321,0,0,0.138504155,-0.013850416,-0.014600646,-0.019277517,-0.001210163,0.013835026,0.064712219,0,0,-0.033882125,-0.207289583,-0.120758427,-0.019012578,0.172746386,0.634991342,0,0,8.89E-16,-0.132936508,-0.206025267,-0.038690476,0.266666667,0.583333333,0,0,-8.57E-17,-0.132936508,-0.206025267,-0.038690476,0.266666667,0.583333333,0,0,1.44E-14,-0.132936508,-0.206025267,-0.038690476,0.266666667,0.583333333,0,0,9.11E-16,-0.132936508,-0.206025267,-0.038690476,0.266666667,0.583333333,0,0,3.31E-15,-0.132936508,-0.206025267,-0.038690476,0.266666667,0.583333333,0,0,-0.1,-0.105416667,-0.139183673,-0.008737374,0.099888889,0.467222222,0,0,1.229597127,1.230891115,1.07613135,0.835366212,0.65334395,0.25738199,0,0,1.285714286,1.244047619,1.163265306,0.832792208,0.407142857,0,0,0,1.285714286,1.244047619,1.163265306,0.832792208,0.407142857,0,0,0,1.285714286,1.244047619,1.163265306,0.832792208,0.407142857,0,0,0,1.285714286,1.244047619,1.163265306,0.832792208,0.407142857,0,0,0,1.285714286,1.244047619,1.163265306,0.832792208,0.407142857,0,0,0,1.37,1.0925,1.10122449,0.863636364,0.684,0,0,0,24.614895,11.74659083,17.70814853,24.614895,3.516413571,11.7466246,-7.11E-15,0.071524786,0.010217827,-1.846397858,35.36741839,5.052488342,2.496053708,24.614895,11.74659083,17.70814853,24.614895,3.516413571,11.7466246,-7.11E-15,0.071524786,0.010217827,-1.846397858,35.36741839,5.052488342,2.496053708,24.614895,11.74659083,17.70814853,24.614895,3.516413571,11.7466246,-7.11E-15,0.071524786,0.010217827,-1.846397858,35.36741839,5.052488342,2.496053708,24.614895,11.74659083,17.70814853,24.614895,3.516413571,11.7466246,-7.11E-15,0.071524786,0.010217827,-1.846397858,35.36741839,5.052488342,2.496053708,24.614895,11.74659083,17.70814853,24.614895,3.516413571,11.7466246,-7.11E-15,0.071524786,0.010217827,-1.846397858,35.36741839,5.052488342,2.496053708,24.614895,11.74659083,17.70814853,24.614895,3.516413571,11.7466246,-7.11E-15,0.071524786,0.010217827,-1.846397858,35.36741839,5.052488342,2.496053708,31.65122395,14.1144668,21.52400731,31.6248634,4.517837629,14.1144712,-0.18452381,0.119565522,0.017080789,-1.486723532,63.08847788,9.012639697,2.901176706,0,11.9,12.10010405,-0.163703267,0.043969436,5.882557729,7.895632428,7,19,18,18,6,1,1,0,0,1,13.118484,3.654070868,2.961878717,2.692797761,2.163971157,1.407211911,1.010154434,0.732869898,0.083923071,1.979513556,1.48466777,1.301455562,1.029156198,0.608611649,0.374431327,0.257657191,0.083923071,3.675278003,2.994425545,2.734397571,2.230803658,1.505105098,1.125595494,0.87227568,0.270913902,1.930224776,1.405000108,1.215168311,0.91936484,0.464941106,0.216771399,0.090013197,0.270913902,3.769623985,3.143637494,2.917924989,2.511121,1.90806064,1.592792141,1.410310712,0.943918427,1.788696955,1.17444425,0.954409919,0.564090782,0.017596917,0.322537815,0.4954652,0.943918427,3.690955919,3.018755895,2.765125992,2.279391621,1.575946244,1.208716372,0.970775275,0.399277246,1.899156215,1.354435361,1.159556104,0.84673074,0.368521914,0.110289179,0.023962916,0.399277246,3.816305301,3.219266891,3.006713028,2.638528557,2.08581673,1.794485124,1.633549526,1.207644823,1.745536159,1.104978341,0.871484501,0.442408169,0.189292014,0.518799523,0.715164237,1.207644823,3.714447074,3.116424955,2.772082749,2.382334815,1.665742727,1.310427983,1.14439179,0.591549296,1.890513513,1.245821259,1.103336782,0.720013308,0.234587648,0.017476481,0.211789006,0.591549296,0,0,0,2,0,1,3,1,0,0,0,0,0.102062073,0.102062073,0,0,0,0.068041382,0.068041382,0.288675135,0,0,0,0.288675135,0,0,0,0.40824829,0.433012702,0.40824829,0.370790812,0.331927305,0.272165527,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,4.853371151,3.043676764,2.389628766,1.53125097,0.944977955,0.60069838,0.136082763,0,0.693338736,0.434810966,0.298703596,0.191406371,0.118122244,0.075087298,0.068041382,0,10.25096682,18.32702112,17.35294118,17.56,11.79132695,144.9122251,0.53952457,0.964580059,0.913312693,0.924210526,0.620596155,7.626959218,2.28879,31.885,25.81164286,34.91599912,51.62328572,7.374755103,25.81164286,0.063309915,0.009044274,-1.931799329,26.80913824,3.829876892,2.302119966,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,1,0,3,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.563657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.607013889,0,0,1.292986111,0.580555556,0,0.607013889,0,0,0,0,0,0,0,0,2.309027778,0,4.011574074,0,4.563657407,0,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.277777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.225625,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.309027778,0,1.305555556,0,2.277777778,0,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.28587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.290277778,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.309027778,0,1.399305556,0,2.28587963,0,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.69047619,0.306319444,2.309027778,0.225625,0.949074074,4.612259259,0.384259259,0.309027778,1.74537037,0.384259259,0.309027778,1.74537037,3.5,0.5,0,0,0.44737,0.7,0.43333,0.43333,0.7,0.01404,0.01404,0,0,0.71429,0,0,0.14286,0.14286,0,4.5,0.64286,3.5,0.5,1,0.14286,-2.5,-0.35714,0,0,5.59495,0.79928,6.62679,1.03183,0.1474,2.85095,0.40728,3.39384,0.54289,0.07756,0.02016,0.00288,0.10616,0.01517,0.315789474,7,0,0,0,0,0,0,0.714285714,0.949452015,2.183754832,3.260828171,3.576617645,3.576617645,3.431623566,18.03958829,41.49134181,61.95573525,67.95573525,67.95573525,65.20084775,0.223509467,0.514075352,0.767628016,0.841967673,0.841967673,0.807834775,3.298475498,2.064172682,0.987099342,0.671309869,0.671309869,0.816303948,0.219682511,0.505273291,0.754484596,0.8275514,0.8275514,0.794002929,6.790838447,17.08973949,19.33231201,20.8076436,19.65057255,19.50444389,27.3155423,17.78709831,15.55541888,13.61023202,14.79335177,15.1474069,5.142857143,2.34375,1.5,0,2,0,2.23,0.9433,0,1.850535862,1,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.111,0.108,0.338,0.369,3.335,8,8,8,8,2,0,0,0,0,48,2.197224577,2.397895273,2.48490665,2.63905733,2.772588722,1.609437912,0,0,0,0,4.234106505,1.416666667,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,0,3,4,0.333333333,1,0.444444444,0.1875,0.111111111,0,0,0,0,0,0,0.142857143,0.055555556,0.0375,0.111111111,0,0,0,0,0,0,0.34702381,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,0,114.6354337,3.807354922,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,71.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.388905171,96.09390038,5.057573704,13.67682532,1.953832189,0,0,0,42,5,3.406,30,1.281051588,2.254808579,3.066904949,3.825986133,4.854014819,6.014823744,0,0,0,0,92.07727792,101.2570853,73.58629285,37.3075768,16.25774625,6.111445873,0,0,0,0,325.8807487,413.9643752,385.3068424,300.700566,236.3042733,186.9632441,0,0,0,0,9.36305897,16.17504398,21.6197632,26.46479451,33.01913988,40.41037679,0,0,0,0,2.397154139,3.287853809,3.403697984,3.073542104,2.841246425,2.674268257,0,0,0,0,180.9041876,339.5181964,488.8692345,647.703783,865.1250013,1112.247084,0,0,0,0,2.727837359,4.094129259,5.015200031,5.402812609,5.875179008,6.014823744,0,0,0,0,0.49429836,0.688044458,0.725938016,0.671837236,0.63756331,0.615917951,0,0,0,0,270.4862842,105.8431066,9.048094419,55.88425364,-21.86788522,-4.351249479,214.6020305,127.7109918,13.3993439,0.828770532,0.324303497,0.02772338,0.171229468,-0.067003245,-0.013332237,88.27875404,34.54407162,2.953031442,18.23897392,-7.137033459,-1.420119633,0.145421045,0.224668786,4.272191121,6.210601184,326.3705378,0,1,0,423.2976476,20.57419859,7.508421046,539.9667052,23.23718368,8.143085483,663.7349019,25.76305304,8.722980168,1.85698587,1.816687252,331.2996917,245.15106,115.3064706,1.351410399,2.873209891,2.12608242,3.712701801,3.995698619,6.281368163,0.572032519,3.510268705,3.212110537,3.847999539,12.27548528,11.46019222,7.215865526,8.417714682,6.010222338,1.062051956,0.772010645,1.414137644,0.008396133,3.73E-23,3.20E-65,5.28E-129,1.68E-214,1.033E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0.294725731,3.211922925,0.403828243,4.582254276,4.07256161,0.501443234,0.43891349,1.251904842,0.060579458,0.044526009,0.00995989,5.91E-05,2.63E-25,2.25E-67,3.72E-131,1.19E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,0,0.951086605,3.211935886,1.070036229,5.675642514,5.038610214,1.687289846,1.521723704,1.834349303,0.214371077,0.157087579,0.10378971,6.16E-04,2.74E-24,2.35E-66,3.88E-130,1.24E-215,7.4E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,3.313415468,3.212090089,3.62412386,11.63577705,10.8162119,6.739469082,7.736160481,5.581366524,0.982831216,0.714762456,1.259971183,0.007480803,3.32E-23,2.85E-65,4.70E-129,1.50E-214,9.2E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,1.401657768,3.211952306,1.538299985,6.567839814,5.862680838,2.556180629,2.427108149,2.349630717,0.334977377,0.245026984,0.225445112,0.001338531,5.95E-24,5.09E-66,8.42E-130,2.68E-215,1.63E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,4.239127636,3.212196424,4.691700433,14.83562188,14.06223932,9.053940703,11.16045106,7.754265789,1.37570765,0.998408557,2.062386841,0.012244971,5.44E-23,4.66E-65,7.70E-129,2.45E-214,1.507E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,2.098951041,2.816337847,2.497674507,7.628706238,7.308721849,3.691366666,3.936646981,3.698052866,0.613333894,0.448067974,0.494850005,0.002938064,1.31E-23,1.12E-65,1.85E-129,5.89E-215,3.6E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,3.184728425,1.665368617,0.527461401,0.592225721,0.309688613,0.48546248,0.489082904,0.33856081,5.377558443,7.861985752,16.0370659,0.388338581,1.313106195,2.434727223,1.04929451,0.151887415,0.66963368,0.28859206,0.282368262,0.193565395,0.027864908,3.635909149,3.083924966,7.107867868,0.50445052,0.503798564,2.717706476,1.283057414,0.294073085,0.632784548,0.298744148,0.352297123,0.289960048,0.104828639,4.294836974,4.663490421,9.983752433,0.449176823,0.747085811,3.164587316,1.648962797,0.517424943,0.593622608,0.309317297,0.479257687,0.479490599,0.325756709,5.330975055,7.708937642,15.73998442,0.390433912,1.284504995,2.849953644,1.391735847,0.36031117,0.619285796,0.302419741,0.387745611,0.341353014,0.157576955,4.602000661,5.494710751,11.52584338,0.428928695,0.88667558,3.248347164,1.717143401,0.559147442,0.587974662,0.31081555,0.505336944,0.51996642,0.380609401,5.524638006,8.35431924,16.9978134,0.381961993,1.405912764,3.180679359,1.648412479,0.517925887,0.594851097,0.308286332,0.484019417,0.479216663,0.326421149,5.347017725,7.744183223,15.80672343,0.392276645,1.289657229 +UMLRON0127,L,4-methylcyclohexene,CC1CCC=CC1,11572,,UML,[1],C7H12,PubChem,,84.1,0,0.6562,0.43059844,29.741,20.321516,0,0,19,7,12,0,7,0,0,0,0,0,0,0,0,0,1022.041615,1155.133903,1415.474264,1062.436877,395.636137,78.824592,6.096384,0,0,3337.623245,4341.457709,6015.190369,5650.645573,3256.271246,1133.190482,186.5024666,0,0,133.40518,138.195196,256.823648,323.93714,283.863268,156.520512,40.310784,0,0,24.85765486,32.88483172,48.80792084,50.23477704,33.28311289,13.57075384,2.667677429,0,0,3106.572317,2725.031065,5524.351915,7357.127697,6919.393455,4094.130475,1109.505912,0,0,31.77777778,38.91666667,63,73.91666667,55.83333333,26.5,6,0,0,53.79166395,60.79652121,39.31872956,23.09645385,9.649661878,3.427156174,1.016064,0,0,175.6643813,228.4977741,167.0886214,122.8401211,79.4212499,49.26915137,31.08374443,0,0,7.021325263,7.273431368,7.133990222,7.042111739,6.923494341,6.805239652,6.718464,0,0,1.308297624,1.730780617,1.355775579,1.09206037,0.811783241,0.590032776,0.444612905,0,0,163.5038062,143.4226876,153.4542199,159.9375586,168.765694,178.0056728,184.917652,0,0,1.67251462,2.048245614,1.75,1.606884058,1.361788618,1.152173913,1,0,0,0.034276411,0.00308452,-0.010230164,-0.022051348,-0.002305469,0.009947485,0.00441677,0,0,535.2391977,5.47E-13,-90.21262166,-289.0828248,-141.8585092,154.9376625,98.59669431,0,0,995.3001436,-1.14E-13,-167.7542222,-537.561857,-263.7919554,288.1131995,183.3447633,0,0,0.104849684,1.51E-15,-0.017672033,-0.056629341,-0.027789108,0.030351224,0.019314416,0,0,4.449454733,3.83E-15,-0.749939426,-2.403151616,-1.179272777,1.288000054,0.819636398,0,0,24.16950873,7.99E-14,-4.073682862,-13.05395772,-6.405828441,6.996436737,4.452277924,0,0,2.298245614,-0.112573099,0.107417667,-1.486688212,-0.547091413,0.527854725,0.361957525,0,0,0.001804022,1.62E-04,-2.84E-04,-4.79E-04,-5.62E-05,4.32E-04,7.36E-04,0,0,28.17048409,2.88E-14,-2.505906157,-6.284409235,-3.459963638,6.736420108,16.43278239,0,0,52.38421809,-5.98E-15,-4.659839506,-11.68612733,-6.433950131,12.52666085,30.55746055,0,0,0.005518404,7.95E-17,-4.91E-04,-0.001231073,-6.78E-04,0.001319618,0.003219069,0,0,0.234181828,2.02E-16,-0.020831651,-0.052242426,-0.028762751,0.056000002,0.136606066,0,0,1.272079407,4.21E-15,-0.113157857,-0.28378169,-0.156239718,0.304192902,0.742046321,0,0,0.120960295,-0.0059249,0.002983824,-0.032319309,-0.013343693,0.022950205,0.060326254,0,0,0.089989588,-0.157520958,-0.265726924,-0.031169772,0.239741767,0.408048474,0,0,1.02E-15,-0.088955026,-0.223084886,-0.1228223,0.239130435,0.583333333,0,0,-1.14E-16,-0.088955026,-0.223084886,-0.1228223,0.239130435,0.583333333,0,0,1.44E-14,-0.088955026,-0.223084886,-0.1228223,0.239130435,0.583333333,0,0,8.61E-16,-0.088955026,-0.223084886,-0.1228223,0.239130435,0.583333333,0,0,3.31E-15,-0.088955026,-0.223084886,-0.1228223,0.239130435,0.583333333,0,0,-0.048982188,0.024667798,-0.267189401,-0.110314653,0.189733378,0.498727735,0,0,1.12219337,1.318729354,1.308812969,0.83506805,0.337404643,9.60E-05,0,0,1.285714286,1.1875,1.194875776,0.943379791,0.442546584,0,0,0,1.285714286,1.1875,1.194875776,0.943379791,0.442546584,0,0,0,1.285714286,1.1875,1.194875776,0.943379791,0.442546584,0,0,0,1.285714286,1.1875,1.194875776,0.943379791,0.442546584,0,0,0,1.285714286,1.1875,1.194875776,0.943379791,0.442546584,0,0,0,1.339694656,0.948791349,1.345544308,0.94451685,0.468221042,0,0,0,21.85514561,10.9275728,15.99555507,21.85514561,3.122163658,10.92763402,-1.24E-14,0.041583509,0.005940501,-2.226036127,42.5912128,6.084458972,2.626153572,21.85514561,10.9275728,15.99555507,21.85514561,3.122163658,10.92763402,-1.24E-14,0.041583509,0.005940501,-2.226036127,42.5912128,6.084458972,2.626153572,21.85514561,10.9275728,15.99555507,21.85514561,3.122163658,10.92763402,-1.24E-14,0.041583509,0.005940501,-2.226036127,42.5912128,6.084458972,2.626153572,21.85514561,10.9275728,15.99555507,21.85514561,3.122163658,10.92763402,-1.24E-14,0.041583509,0.005940501,-2.226036127,42.5912128,6.084458972,2.626153572,21.85514561,10.9275728,15.99555507,21.85514561,3.122163658,10.92763402,-1.24E-14,0.041583509,0.005940501,-2.226036127,42.5912128,6.084458972,2.626153572,21.85514561,10.9275728,15.99555507,21.85514561,3.122163658,10.92763402,-1.24E-14,0.041583509,0.005940501,-2.226036127,42.5912128,6.084458972,2.626153572,22.8472937,11.3680913,16.69513305,22.76792862,3.252561232,11.36812925,-0.111111111,0.160309706,0.022901387,-1.281453372,75.10526541,10.72932363,3.023223468,0,11.9,12.10010405,-0.140910337,0.059909795,6.021119715,7.854758048,7,19,18,18,6,1,1,0,0,1,13.118484,3.664877269,2.936402518,2.683104061,2.176056391,1.382221251,1.231689465,0.342717822,0.083923071,1.976510315,1.490154702,1.30468675,1.028917133,0.583527959,0.529733496,0.083923071,0.083923071,3.684520119,2.972032666,2.725159647,2.242392503,1.47866712,1.343586459,0.471107941,0.270913902,1.928179858,1.407657825,1.216050398,0.920890797,0.437098865,0.382105299,0.270913902,0.270913902,3.773201831,3.132972864,2.91160343,2.51943629,1.8775957,1.791787481,0.958552948,0.943918427,1.791365929,1.165766423,0.948833374,0.571608391,0.04837618,0.127557952,0.943918427,0.943918427,3.699113341,2.998536853,2.756274447,2.290545233,1.548562802,1.423802233,0.561579714,0.399277246,1.897875129,1.355054661,1.158944624,0.84949559,0.339306308,0.282074839,0.399277246,0.399277246,3.817785525,3.213251716,3.002288355,2.644856083,2.054891644,1.983651284,1.207644823,1.207644823,1.750369929,1.09162472,0.864290061,0.451684336,0.219114533,0.314753011,1.153245834,1.207644823,3.731313857,3.05615491,2.776490443,2.41985373,1.658492875,1.526695149,0.70712645,0.6,1.872811671,1.253565458,1.110088822,0.709902564,0.194197303,0.135561597,0.6,0.6,0,0,0,1,1,1,4,0,0,0,0,0,0.102062073,0.102062073,0,0,0,0.072168784,0.072168784,0.288675135,0,0,0,0.204124145,0,0,0,0.40824829,0.433012702,0.40824829,0.288675135,0.306186218,0.288675135,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,4.905777394,3.050476816,2.296258731,1.518037688,0.99870012,0.660074775,0.144337567,0,0.700825342,0.435782402,0.287032341,0.189754711,0.124837515,0.082509347,0.072168784,0,10.25096682,18.32702112,17.35294118,17.56,11.79132695,144.9122251,0.53952457,0.964580059,0.913312693,0.924210526,0.620596155,7.626959218,2.43289,31.955,25.81164286,34.91599912,51.62328572,7.374755103,25.81164286,0.063309915,0.009044274,-1.931799329,26.80913824,3.829876892,2.302119966,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,3,0,1,0,0,0,0,0,0,0,0,1,0,4,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.939814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,1.067361111,0.870833333,0,0.288541667,0,0,0,0,0,0,0,0,2.221388889,0,5.505462963,0,2.350694444,0,0,0,0,1.58912037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.58912037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.243402778,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.221388889,0,1.325231481,0,2.350694444,0,0,0,0,1.58912037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.350694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.290277778,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.221388889,0,1.418981481,0,2.350694444,0,0,0,0,1.58912037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.66666667,1.666666667,0.290277778,2.350694444,0.053819444,1.325231481,4.04740162,0.174768519,0.350694444,1.144166667,0.174768519,0.350694444,1.144166667,3.5,0.5,0,0,0.44737,0.7,0.43333,0.43333,0.7,0.01404,0.01404,0,0,0.71429,0,0,0.14286,0.14286,0,4.5,0.64286,3.5,0.5,1,0.14286,-2.5,-0.35714,0,0,5.65204,0.80743,6.62679,0.97475,0.13925,2.8406,0.4058,3.39384,0.55324,0.07903,0.02016,0.00288,0.10616,0.01517,0.315789474,7,0,0,0,0,0,0,0.714285714,0.949452015,2.034572366,3.050301855,3.366091329,3.471354487,3.300559092,18.03958829,38.65687495,57.95573525,63.95573525,65.95573525,62.71062276,0.223509467,0.47895647,0.718068245,0.792407902,0.817187788,0.776981029,3.298475498,2.213355148,1.197625658,0.881836184,0.776573026,0.947368421,0.219682511,0.470755719,0.705773393,0.778840197,0.803195798,0.763677465,6.790838447,16.93938967,19.12013832,20.59546991,19.54448571,19.37235383,27.3155423,17.47469193,16.08086204,14.13567519,15.02997571,15.43798769,5.142857143,2.34375,1.5,0,2,0,2.23,0.9433,0,1.850535862,1,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.076,0.353,0.392,3.54,8,8,8,8,2,0,0,0,0,48,2.197224577,2.48490665,2.564949357,2.63905733,2.708050201,1.386294361,0,0,0,0,4.234106505,1.416666667,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,0,3,4,0.333333333,1,0.444444444,0.1875,0.111111111,0,0,0,0,0,0,0.142857143,0.055555556,0.0375,0.111111111,0,0,0,0,0,0,0.34702381,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,0,114.6354337,3.807354922,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,71.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.388905171,96.09390038,5.057573704,13.67682532,1.953832189,0,0,0,42,5,2.96,30,1.280314746,2.243921907,3.056942465,3.783299608,4.784264649,5.546580281,0,0,0,0,91.88751044,98.75144722,75.95911355,40.53261931,16.98430411,5.635680546,0,0,0,0,325.3736645,404.2538434,392.3223366,318.554372,240.1506967,172.4084839,0,0,0,0,9.357235716,16.0715998,21.57152559,26.26117751,32.57922548,37.26449994,0,0,0,0,2.394041041,3.218964267,3.445558809,3.201629158,2.858329795,2.466081171,0,0,0,0,180.8273885,339.8177913,485.6517221,633.2439391,849.9409418,1025.660602,0,0,0,0,2.719856273,4.060386226,5.001312719,5.279579739,5.553036225,5.546580281,0,0,0,0,0.493680202,0.674058306,0.734097439,0.697541877,0.640314132,0.567969821,0,0,0,0,272.4330244,100.8712237,8.360844597,37.07796007,-13.72850892,-2.263750775,235.3550644,114.5997326,10.62459537,0.880204704,0.32590515,0.027013079,0.119795296,-0.044355482,-0.007313959,84.3210136,31.22075176,2.587773243,11.47603592,-4.24912431,-0.700655731,0.154360939,0.22963286,3.431854054,3.148636688,309.5109845,0,1,0,425.4728485,20.6269932,7.52126026,541.9295938,23.2793813,8.152940807,675.4334633,25.98910278,8.773930523,1.821635921,1.788060884,324.4240951,235.6392707,117.8308484,1.376782801,2.753303565,1.999809675,3.688716546,3.820078341,6.188277901,0.619934815,3.428610376,3.262778105,3.192581131,15.39891681,9.892136779,7.366954725,8.190328071,7.613400721,3.01654657,2.475321824,0.806823903,6.02E-05,2.42E-29,1.88E-75,2.82E-143,8.14E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.287872713,3.262548785,0.343847096,5.004823022,3.952375937,0.414597816,1.128758136,1.201280261,0.070768594,0.073815149,0.005682527,4.24E-07,1.71E-31,1.33E-77,1.98E-145,5.73E-235,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.928964228,3.262564557,0.879688837,6.543885584,4.756562625,1.470502571,2.14348749,1.919069084,0.348631128,0.326528965,0.05921631,4.42E-06,1.78E-30,1.38E-76,2.07E-144,5.97E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.236336667,3.262753086,3.00203577,14.55649553,9.384085273,6.812841386,7.607075875,7.011757264,2.721788076,2.244289018,0.718865572,5.37E-05,2.16E-29,1.68E-75,2.51E-143,7.25E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.369053455,3.2625846,1.26108052,7.773387875,5.429828005,2.303195473,2.966759766,2.587307052,0.635409163,0.570523259,0.128625738,9.60E-06,3.87E-30,3.00E-76,4.49E-144,1.30E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.140513378,3.262883204,3.916419567,18.75203733,11.93720499,9.564483466,10.52123848,10.07843076,4.237820006,3.426124233,1.176676836,8.79E-05,3.54E-29,2.74E-75,4.11E-143,1.19E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.067052468,3.105312856,1.848615735,9.992020716,6.796480294,3.632837261,4.560743747,4.105435326,1.202003828,1.155126877,0.290456606,2.17E-05,8.73E-30,6.78E-76,1.01E-143,2.93E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.279851475,1.678405944,0.528502594,0.597775639,0.305901104,0.540005793,0.489659404,0.341982711,5.486760013,8.125374118,16.5214998,0.396663459,1.371647907,2.300973976,1.081531865,0.151072671,0.651173865,0.306072685,0.265460448,0.201839763,0.027599911,3.533578512,2.999580868,6.909115307,0.476760797,0.494900122,2.671096925,1.307474269,0.293965295,0.625178259,0.30601828,0.357858632,0.295944577,0.105087044,4.272536489,4.661952355,9.961130448,0.437767389,0.758890253,3.25364874,1.662452951,0.518417143,0.598700426,0.30590619,0.531391974,0.480323707,0.328974099,5.434518835,7.957629345,16.19628618,0.398050639,1.34068978,2.843735197,1.412740221,0.360531358,0.615926148,0.30598617,0.405699538,0.345960668,0.158413213,4.617006775,5.55205195,11.61747871,0.423889222,0.910073419,3.362588046,1.728772055,0.560343039,0.594968979,0.305885149,0.56766141,0.519726554,0.384720655,5.65170314,8.66605644,17.57511674,0.392453468,1.472108619,3.260547721,1.663838584,0.519276774,0.598962073,0.30564687,0.533619126,0.481097798,0.330109906,5.443663079,7.982144536,16.24289715,0.398443109,1.344826831 +UMLRON0128,L,1-methylcyclohexene,CC1=CCCCC1,11574,,"Sandia, UML",[1],C7H12,PubChem,,89.15,0,0.3038,0.09229444,30.4415,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1168.347606,938.408356,684.250059,478.348754,160.526016,18.289152,0,3461.958223,4376.887272,5667.785137,5590.535243,4361.573366,3075.021321,1843.095563,559.5073998,0,160.279036,159.125208,296.687832,377.261968,372.448236,249.09716,186.188544,120.932352,0,26.63610648,34.55010896,48.7938183,52.11632459,43.08272344,30.05967844,20.03172529,8.003032287,0,3846.242925,3210.7269,6654.719106,8862.797105,9238.871444,6095.657421,4611.235353,3328.517736,0,36.52777778,43.16666667,65.91666667,80.66666667,71.33333333,51,39,18,0,44.61329874,48.14991518,27.81780014,17.37793252,12.67129739,13.28746539,5.945408,1.016064,0,150.5199227,198.9494215,134.9472652,103.5284304,80.76987715,85.41725893,68.26279863,31.08374443,0,6.968653739,7.232964,7.063996,6.986332741,6.897189556,6.919365556,6.895872,6.718464,0,1.158091586,1.570459498,1.161757579,0.965117122,0.797828212,0.834991068,0.741915752,0.444612905,0,167.2279533,145.9421318,158.445693,164.1258723,171.0902119,169.3238172,170.7864946,184.917652,0,1.588164251,1.962121212,1.569444444,1.49382716,1.320987654,1.416666667,1.444444444,1,0,0.032479793,-0.005563372,-0.006666306,-0.01174386,0.005232375,0.001316487,-0.008367378,0.009552158,0,589.5388264,-58.58770946,-129.0760474,-236.6394202,84.44869059,-17.39322625,-139.3746682,201.8529677,0,1096.272622,-108.9463475,-240.0224219,-440.0411068,157.0359462,-32.34344692,-259.173147,375.354213,0,0.115486609,-0.01147693,-0.025285112,-0.046356038,0.016542919,-0.003407214,-0.027302541,0.039541611,0,4.900848691,-0.487040864,-1.073011903,-1.967188489,0.702023745,-0.144590256,-1.158624555,1.678007976,0,26.62148787,-2.645613702,-5.828617687,-10.68579909,3.813404125,-0.785416568,-6.29366697,9.114965957,0,2.845410628,-1.257929007,0.358380592,-1.202268431,0.355702583,0.857908003,-1.329395085,0.79489603,0,0.001412165,-2.53E-04,-1.59E-04,-2.17E-04,9.69E-05,3.66E-05,-3.10E-04,5.31E-04,0,25.63212289,-2.663077703,-3.073239224,-4.382211486,1.563864641,-0.483145173,-5.162024748,11.21405376,0,47.66402704,-4.952106706,-5.714819569,-8.148909385,2.908073078,-0.898429081,-9.599005446,20.85301183,0,0.005021157,-5.22E-04,-6.02E-04,-8.58E-04,3.06E-04,-9.46E-05,-0.001011205,0.002196756,0,0.213080378,-0.022138221,-0.025547902,-0.036429416,0.01300044,-0.004016396,-0.042912021,0.093222665,0,1.157455995,-0.120255168,-0.138776612,-0.197885168,0.070618595,-0.021817127,-0.233098777,0.506386998,0,0.123713506,-0.057178591,0.008532871,-0.02226423,0.006587085,0.023830778,-0.049236855,0.044160891,0,-0.179072957,-0.112395927,-0.154003888,0.068615104,0.025895756,-0.219452343,0.375788575,0,-0.103896104,-0.119897959,-0.170965608,0.061011905,-0.018849206,-0.201388889,0.4375,0,-0.103896104,-0.119897959,-0.170965608,0.061011905,-0.018849206,-0.201388889,0.4375,0,-0.103896104,-0.119897959,-0.170965608,0.061011905,-0.018849206,-0.201388889,0.4375,0,-0.103896104,-0.119897959,-0.170965608,0.061011905,-0.018849206,-0.201388889,0.4375,0,-0.103896104,-0.119897959,-0.170965608,0.061011905,-0.018849206,-0.201388889,0.4375,0,-0.462185522,0.068972835,-0.179966044,0.053244671,0.192628749,-0.397990945,0.356960951,0,1.717001922,1.200772292,1.165025936,0.738086643,0.868062476,1.139809105,1.93E-05,0,1.642857143,1.290816327,1.171296296,0.75297619,0.878472222,1.003968254,0,0,1.642857143,1.290816327,1.171296296,0.75297619,0.878472222,1.003968254,0,0,1.642857143,1.290816327,1.171296296,0.75297619,0.878472222,1.003968254,0,0,1.642857143,1.290816327,1.171296296,0.75297619,0.878472222,1.003968254,0,0,1.642857143,1.290816327,1.171296296,0.75297619,0.878472222,1.003968254,0,0,2.069609508,0.797720107,1.181239389,0.692039238,0.733800226,1.718166384,0,0,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,37.67959716,18.74753667,30.09747105,37.54779444,5.363970634,18.74753669,-0.18452381,0.06039553,0.008627933,-1.964788125,26.33453469,3.762076384,2.289616829,0,11.89,12.11009426,-0.164721692,0.055970353,5.126994334,7.491492999,6,22,22,22,6,0,0,0,0,0,17.491312,3.497227179,3.142066486,2.53245952,2.333552793,1.841296227,1.29363444,0.968750627,0.083923071,1.915797261,1.693083946,1.307633915,1.249629723,0.884913646,0.591754776,0.37871251,0.083923071,3.525573413,3.18037295,2.589675666,2.405454588,1.924093632,1.404550849,1.094121287,0.270913902,1.854858694,1.615457648,1.20518793,1.134540686,0.756083105,0.441318657,0.219998352,0.270913902,3.650070152,3.347508359,2.834314736,2.704236987,2.267753967,1.848741653,1.585086196,0.943918427,1.674881991,1.380501006,0.881459793,0.76031856,0.331946346,0.071013279,0.327811355,0.943918427,3.546450579,3.208544763,2.631521609,2.457539916,1.984104616,1.483982621,1.183161214,0.399277246,1.815985774,1.565413162,1.137990084,1.058262671,0.670273055,0.339907473,0.11253238,0.399277246,3.710568778,3.427721511,2.948217832,2.838982085,2.421735294,2.03993089,1.791956841,1.207644823,1.618555556,1.305428883,0.773602861,0.631337262,0.184116439,0.257038413,0.530403117,1.207644823,3.536188267,3.268836324,2.720209556,2.644447344,2.064607439,1.576004797,1.279868996,0.591549296,1.813452291,1.490332163,1.022653816,0.869799456,0.554810153,0.213699945,0.015430171,0.591549296,0,0,0,0,0,3,3,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.204124145,0.288675135,0.204124145,0.204124145,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,6.785416667,0,4.145185185,0,0,0,0.902731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.238472222,0,1.345416667,0,0,0,0.902731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.273472222,0,1.400462963,0,0,0,0.902731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.69047619,0.2,2.273472222,0.2,0.902731481,5.312940139,0.430601852,0.273472222,1.570833333,0.430601852,0.273472222,1.570833333,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.42857,0.14286,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.02591,1.0037,7.02591,0,0,3.27005,0.46715,3.27005,0,0,0.14395,0.02056,0.14395,0.02056,0,6,0,0,0,0,0,0,1,0.886540893,1.327484782,2.521861955,3.087929347,2.653146738,2.338066093,20.39044053,30.53214998,58.00282497,71.02237498,61.02237498,53.77552013,0.195982923,0.293460064,0.557494731,0.682632266,0.586517166,0.516863948,3.637021063,3.196077174,2.001700001,1.435632609,1.870415218,2.185495864,0.19880132,0.297680264,0.565511969,0.692449086,0.594951771,0.524296882,6.634953582,11.92628025,16.71908002,15.01711798,13.98386821,12.2100386,27.76507516,20.80617277,17.57522093,19.15547313,21.36755302,14.27981442,7,4.166666667,6,7,0,6,2.23,1.0949,0.814325285,3.639717277,1.889881575,0,2.381101578,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.039,6,4,3,2,0,0,0,0,0,28,1.945910149,1.945910149,1.609437912,1.386294361,1.098612289,0,0,0,0,0,3.36729583,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,6,1,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,0,129.6283511,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,100.1252005,4.353269587,12.67036528,1.810052182,0,0,0,52,4,4.262,24,1.224818182,2.11142556,2.86815028,3.505596004,4.583764,5.606109701,6.36847156,0,0,0,69.72220731,66.73106956,57.6696265,55.78784931,72.05834205,35.56890227,6.470774688,0,0,0,268.787596,308.3215324,318.4865441,321.2462047,431.4218165,399.5708236,197.9559424,0,0,0,8.893455721,14.97034384,20.0834547,24.28782137,31.83955585,38.73957148,42.78634691,0,0,0,2.059771149,2.597411395,2.89718899,3.046563606,4.095354512,4.294258938,2.83150464,0,0,0,176.6115071,330.5407757,467.50604,591.5953956,766.830421,951.0312158,1177.642808,0,0,0,2.460280303,3.429494663,4.380938342,4.833811803,6.78778652,8.299525207,6.36847156,0,0,0,0.427911136,0.549535126,0.621434888,0.659201804,0.88552205,0.944679607,0.652131488,0,0,0,384.7024194,152.1280071,9.347763553,164.1934093,-64.92918911,-9.846918524,220.5090101,217.0571963,19.19468208,0.700865992,0.277152784,0.017030123,0.299134008,-0.118290549,-0.017939503,211.1615533,83.50242855,5.130948422,90.12507744,-35.63936106,-5.404932503,0.074315115,0.164791783,1.269169969,10.94539636,548.8958287,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,586.8869359,24.22574944,8.372429143,1.797339331,1.797339331,521.6769573,474.2749264,81.91748164,1.099946315,6.368322693,5.789666831,4.136657849,4.466158665,7.63628977,0.709811572,4.462408855,5.691193727,2.603842297,19.56825101,7.346172766,3.228350449,4.423540967,11.38832605,4.946125219,2.93433145,3.453031965,0.410757472,1.952300582,1.267677768,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851943,0.162461632,6.332239363,0.551129504,0.090446133,0.438376387,0.515367778,2.050598107,0.100687104,0.074037153,0.010595825,0.130750194,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690875412,0.561386015,7.766265761,1.01586179,0.410823543,1.07334767,1.913633129,2.476889913,0.420725185,0.380506359,0.037402441,0.443883397,0.093040376,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691156425,2.419213533,18.30947248,6.603912652,2.922996768,4.116429695,10.43220018,4.71058109,2.66945533,3.110589162,0.366846939,1.820026094,1.129478069,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690905269,0.864753012,9.127093947,1.608730229,0.725807525,1.562231669,3.1173111,2.81844267,0.71713644,0.704684404,0.072097838,0.676264037,0.202096129,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691350436,3.327371478,24.73815598,10.46488572,4.487528447,5.632329175,15.25826066,5.884413982,4.018829111,4.874888024,0.595380333,2.465625438,1.848788887,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,2.765215168,4.923310403,1.242251115,11.81922431,2.938777342,1.431166547,2.274519741,5.246753633,3.591554248,1.292043517,1.433204595,0.152023546,1.215712266,0.443599203,1.26E-06,2.80E-33,1.20E-81,9.92E-152,1.58E-243,0,0,0,0,0,0,0,0,0,0,0,5.399567424,1.145243596,0.571116323,0.758800247,0.160940878,0.548336669,0.461434897,0.420600829,7.115927343,9.921668421,20.56927632,0.63820037,1.430372395,4.564541269,0.646523159,0.172572201,0.847854635,0.120090415,0.392766546,0.148333747,0.038945676,5.383636629,3.850366499,9.743277783,0.771781952,0.580045968,4.910239006,0.85315908,0.337751788,0.804805505,0.139835785,0.454022895,0.257366963,0.148341573,6.101149874,6.135813001,13.65187773,0.707208258,0.859731431,5.38025705,1.133725343,0.561916017,0.760363807,0.160223519,0.544445651,0.452287913,0.407295826,7.07589841,9.760044813,20.26348133,0.64054571,1.40402939,5.058190755,0.941520375,0.408362858,0.789346497,0.146927201,0.481598545,0.312958127,0.216308355,6.408073988,7.212448843,15.56530588,0.684019745,1.010865028,5.459607676,1.181052293,0.599717703,0.754050123,0.163120261,0.560523529,0.490445463,0.463297096,7.240377672,10.43060351,21.5380102,0.631075185,1.514266089,5.398490031,1.137025209,0.562535229,0.760559544,0.16018838,0.548100566,0.454781649,0.407785918,7.098050469,9.814676821,20.36569187,0.640839317,1.410668133 +UMLRON0129,L,2-Methylhexane,CCCCC(C)C,11582,,"Sandia, UML",[1],C7H16,PubChem,,42.4,0,1.657,2.745649,37.4392,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1483.122152,1201.711229,890.151364,796.171492,302.76288,36.578304,0,3947.642614,5029.877407,6806.459662,7099.250819,5648.125411,4306.94708,3126.683726,1119.0148,0,181.25648,180.900988,339.441056,442.541876,495.799312,312.005776,251.444736,241.864704,0,30.31423229,39.56609758,57.48793273,65.15144188,56.10576844,40.08763158,32.0604183,16.00606457,0,4342.872585,3643.766351,7584.388218,10150.98163,12382.08547,7580.079488,5893.952969,6657.035473,0,42.05555556,49.58333333,76.33333333,100.1111111,93.33333333,65,60,36,0,45.09238923,49.11105724,30.89837817,19.07478141,12.36321339,17.69269982,8.41008,1.016064,0,151.8324082,201.1950963,141.801243,112.6865209,78.44618626,95.7099351,86.85232572,31.08374443,0,6.971403077,7.23603952,7.071688667,7.024474222,6.886101556,6.933461689,6.984576,6.718464,0,1.165932011,1.582643903,1.197665265,1.034149871,0.779246784,0.890836257,0.890567175,0.444612905,0,167.033561,145.7506541,158.0080879,161.1266926,171.9734093,168.4462109,163.7209158,184.917652,0,1.617521368,1.983333333,1.590277778,1.589065256,1.296296296,1.444444444,1.666666667,1,0,0.035978133,-0.006702682,-5.56E-04,-0.023706017,0.009164506,0.011105438,-0.026597569,0.01930326,0,670.5194345,-58.02572029,-45.8474827,-460.6239277,191.9863338,106.0223037,-481.3985683,412.6273443,0,1246.859521,-107.9013047,-85.25535183,-856.549863,357.0067858,197.1530011,-895.1811943,767.2981665,0,0.131350154,-0.01136684,-0.008981207,-0.090233065,0.037608805,0.020769041,-0.094302675,0.080830864,0,5.574042193,-0.482369036,-0.38113109,-3.829176421,1.59598644,0.881365646,-4.001876446,3.430179811,0,30.27828566,-2.620236259,-2.070310131,-20.80014709,8.669423672,4.787592177,-21.73825637,18.63279117,0,3.487179487,-1.835963182,1.382642998,-2.524490467,0.394477318,2.650394477,-3.520710059,1.710059172,0,0.001383774,-2.68E-04,-1.16E-05,-3.76E-04,1.27E-04,2.47E-04,-7.39E-04,5.36E-04,0,25.78920902,-2.321028812,-0.95515589,-7.311490916,2.666476858,2.356051194,-13.37218245,11.46187067,0,47.95613541,-4.316052187,-1.776153163,-13.59602957,4.958427581,4.381177803,-24.86614429,21.31383796,0,0.005051929,-4.55E-04,-1.87E-04,-0.001432271,5.22E-04,4.62E-04,-0.002619519,0.002245302,0,0.214386238,-0.019294761,-0.007940231,-0.060780578,0.022166478,0.019585903,-0.111163235,0.095282773,0,1.164549448,-0.10480945,-0.043131461,-0.330161065,0.120408662,0.106390937,-0.603840455,0.517577533,0,0.134122288,-0.073438527,0.028805062,-0.040071277,0.005478852,0.058897655,-0.097797502,0.047501644,0,-0.19375071,-0.008370881,-0.271927269,0.09198379,0.178343752,-0.533917517,0.387492134,0,-0.09,-0.037037037,-0.2835097,0.103395062,0.091358025,-0.518518519,0.444444444,0,-0.09,-0.037037037,-0.2835097,0.103395062,0.091358025,-0.518518519,0.444444444,0,-0.09,-0.037037037,-0.2835097,0.103395062,0.091358025,-0.518518519,0.444444444,0,-0.09,-0.037037037,-0.2835097,0.103395062,0.091358025,-0.518518519,0.444444444,0,-0.09,-0.037037037,-0.2835097,0.103395062,0.091358025,-0.518518519,0.444444444,0,-0.54754902,0.214767157,-0.298766729,0.040849673,0.439133987,-0.729166667,0.354166667,0,1.727684548,1.084849934,1.386610512,0.680708671,0.710031646,1.706004968,0,0,1.625,1.222511574,1.36133157,0.689621914,0.802469136,1.50462963,0,0,1.625,1.222511574,1.36133157,0.689621914,0.802469136,1.50462963,0,0,1.625,1.222511574,1.36133157,0.689621914,0.802469136,1.50462963,0,0,1.625,1.222511574,1.36133157,0.689621914,0.802469136,1.50462963,0,0,1.625,1.222511574,1.36133157,0.689621914,0.802469136,1.50462963,0,0,2.15870098,0.62231924,1.419282991,0.64721201,0.424836601,2.389705882,0,0,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,49.16608976,24.45457266,38.99239413,48.97338142,6.121672678,24.45457266,-0.256944444,6.66E-16,8.33E-17,-27.95603288,28.13912446,3.517390557,2.66972875,0,11.89,12.11011416,-0.164718465,0.055995246,5.749051238,7.649059493,7,25,25,25,7,0,0,0,0,0,19.677726,3.53563143,3.244084744,2.571524722,2.333552793,2.333552793,1.729010799,1.049825983,0.930272334,1.934873803,1.742716603,1.319258135,1.249629723,1.249629723,0.796661299,0.397466728,0.365835021,3.562461002,3.277769689,2.625963664,2.405454588,2.405454588,1.813600416,1.165294468,1.05900151,1.876280062,1.670670664,1.21933619,1.134540686,1.134540686,0.664936838,0.242013658,0.205369926,3.680598535,3.426435801,2.860188687,2.704236987,2.704236987,2.165212408,1.627594413,1.560891682,1.704211162,1.456118324,0.905588564,0.76031856,0.76031856,0.230923741,0.289015115,0.350415709,3.58223573,3.302632688,2.665861445,2.457539916,2.457539916,1.87495387,1.248008524,1.150283289,1.838992329,1.624518621,1.153946055,1.058262671,1.058262671,0.577166797,0.137099727,0.096588544,3.738217315,3.498795116,2.970010819,2.838982085,2.838982085,2.322834187,1.826186331,1.771383615,1.650641827,1.38874006,0.801845208,0.631337262,0.631337262,0.079600261,0.482408586,0.556860324,3.558832738,3.345592379,2.725831247,2.634654398,2.634654398,1.930624674,1.322066015,1.245627897,1.850241512,1.567853699,1.061465701,0.878556837,0.878556837,0.482190769,0.024771883,0.028680321,0,0,0,0,0,4,2,2,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.816496581,0,0,0,0.577350269,0.333333333,0.666666667,0.577350269,0.333333333,0.666666667,6.568914101,3.625897658,3.365043969,1.321367205,0.666666667,0.666666667,0,0,0.821114263,0.51798538,0.420630496,0.264273441,0.166666667,0.166666667,0,0,6.568914101,3.625897658,3.365043969,1.321367205,0.666666667,0.666666667,0,0,0.821114263,0.51798538,0.420630496,0.264273441,0.166666667,0.166666667,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,56,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.120555556,0,2.773148148,0,0,0,1.772962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.280138889,0,1.386574074,0,0,0,0.886481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.280138889,0,1.386574074,0,0,0,0.886481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.708333333,0.2,2.280138889,0.2,0.886481481,6.030246667,0.446851852,0.280138889,2.241111111,0.446851852,0.280138889,2.241111111,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0.25,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.87961,1.10995,8.87961,0,0,3.62588,0.45324,3.62588,0,0,0.28812,0.03601,0.28812,0.03601,0,7,0,0,0,0,0,0,1,0.89049164,1.352030102,2.199687795,2.199687795,2.199687795,1.915038586,23.15278265,35.15278265,57.19188266,57.19188266,57.19188266,49.79100323,0.189448582,0.287639068,0.467974897,0.467974897,0.467974897,0.407416901,3.809948078,3.348409616,2.500751923,2.500751923,2.500751923,2.785401132,0.191756937,0.291143835,0.473676984,0.473676984,0.473676984,0.412381113,6.648700044,12.18716158,13.04145222,13.04145222,13.04145222,9.625661715,31.72521615,23.41346491,25.2115705,25.2115705,25.2115705,21.79577999,8,3.9375,7.2,8,0,6,2.34,1.2358,1.62865057,3.265986324,4,0,1,2.828427125,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,3.31,8,5,4,4,0,0,0,0,0,36,2.079441542,2.197224577,1.791759469,1.609437912,1.609437912,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,2.5,0.666666667,0.25,0.32,0,0,0,0,0,0,0.357142857,0.083333333,0.05,0.08,0,0,0,0,0,0,0.57047619,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,0,146.9243357,4,3.433987204,4.043051268,4.779123493,5.424950017,6.150602768,6.814542897,7.529943371,8.204398418,8.912338567,70.292938,2.708050201,0,3.850147602,0,5.105945474,0,6.408528791,0,7.738488122,8.049746291,114.1408506,4.390032714,14.50192071,1.812740089,0,0,0,74,5,4.77,30,1.2278,2.116942009,2.892507444,3.479983731,4.405708497,5.53224352,6.068060179,0,0,0,71.2221278,74.49919381,61.78741513,53.03174888,93.51446163,48.31318469,6.165537498,0,0,0,272.5498825,326.3003669,344.5032079,304.1038625,473.900847,493.9632619,188.6180318,0,0,0,8.919363223,15.03016952,20.35906012,24.04422866,30.69653004,38.70467445,40.76804386,0,0,0,2.081648384,2.695254639,3.103532047,2.909361266,4.267235108,5.034587882,2.697937863,0,0,0,176.77647,330.1832551,463.1518955,592.510468,730.8960688,900.6223286,1122.091441,0,0,0,2.484883333,3.501190982,4.681629088,4.65245786,6.729748087,9.381488749,6.068060179,0,0,0,0.4321989,0.568411947,0.663965988,0.630835353,0.915226043,1.09615788,0.621369362,0,0,0,405.165314,179.5694069,9.791475302,130.1345197,-57.67566401,-7.449843748,275.0307943,237.2450709,17.24131905,0.756894153,0.335455749,0.018291572,0.243105847,-0.107744595,-0.013917142,216.8849253,96.12347365,5.241375102,69.66098679,-30.87377336,-3.98790012,0.06630743,0.141139486,1.271764293,8.073897967,535.2998338,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,730.8637546,27.03449194,9.007663245,1.558857073,1.537100381,637.051562,548.5130061,127.6554937,1.1614156,4.990396759,4.296822567,4.418750872,4.466158665,7.636292013,0.709812074,5.020209962,6.639720803,3.093919498,23.182,7.17526138,6.313287287,6.074120505,12.39252649,4.615831286,3.987412726,5.844183274,1.906468719,3.348678494,1.267677843,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327215,0.183910687,8.568833001,1.046432751,0.179714311,0.476339346,0.683261464,2.013583349,0.156246655,0.230064712,0.021141123,0.140584998,0.008928359,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639354224,0.643593713,10.5173259,1.472605616,0.810765614,1.262032024,2.360303206,2.308645388,0.621250831,0.913600333,0.147207141,0.546369635,0.093040381,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639677841,2.868255774,21.92146795,6.508253668,5.718125738,5.605157,11.42343353,4.372994842,3.640720842,5.336900076,1.699506224,3.064173674,1.129478136,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.6393886,0.999031657,12.16202988,2.010075477,1.428332995,1.907366449,3.7232647,2.58130284,1.034590975,1.520129861,0.310581542,0.898877842,0.202096141,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.639901293,3.983400489,28.26466251,9.97621362,8.766319821,7.953852919,16.267064,5.609785892,5.398395357,7.908169787,2.776699124,4.502111389,1.848788996,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.121827968,5.498019155,1.382839025,15.31232514,3.172793453,2.750688293,2.846693618,6.100022966,3.023933388,1.825732438,2.843086419,0.661420682,1.668902849,0.434373847,1.23E-06,2.74E-33,1.17E-81,9.71E-152,1.55E-243,0,0,0,0,0,0,0,0,0,0,0,5.439334794,1.530513536,0.573990314,0.721030108,0.202882592,0.603920118,0.562536993,0.425972441,7.543838645,12.32560096,24.64789493,0.581545162,1.592429552,4.634076711,0.946940837,0.171278711,0.805604667,0.164619622,0.438733931,0.215031253,0.038893029,5.752296258,5.344105968,11.84800686,0.708407,0.692658213,4.965754364,1.187467515,0.337476012,0.765057078,0.182949127,0.503550105,0.338350765,0.149478172,6.490697891,7.973236775,16.45392001,0.647585617,0.991379042,5.420554319,1.516917512,0.564627199,0.722538359,0.202199079,0.599764305,0.552569964,0.412437518,7.502099029,12.13961905,24.28438429,0.583807538,1.564771787,5.108436299,1.290866924,0.408826337,0.750343579,0.189606692,0.532820412,0.399941494,0.218388932,6.80812956,9.210515145,18.7145729,0.625515368,1.151150839,5.497775737,1.572817586,0.603118314,0.716442837,0.204961779,0.616944969,0.594120884,0.469418614,7.673711638,12.91140269,25.8002774,0.574664256,1.680484467,5.437349847,1.522605483,0.564985957,0.722577046,0.202341178,0.60350173,0.556867583,0.412565596,7.524941287,12.21121571,24.4136411,0.583865569,1.572934909 +UMLRON0130,L,"2,5-Dimethylhexane",CC(C)CCC(C)C,11592,,"Sandia, UML",[1],C8H18,PubChem,,55.2,0,0.0158,2.50E-04,33.3531,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1362.056143,1135.165085,881.006788,675.105483,478.348754,160.526016,18.289152,3947.642614,5029.877407,6581.332248,6597.333588,5368.371711,4081.819666,3075.021321,1843.095563,559.5073998,181.25648,180.900988,339.41734,440.146868,435.333136,311.98206,249.09716,186.188544,120.932352,30.31423229,39.56609758,56.48150844,61.13785345,52.1042523,39.0812073,30.05967844,20.03172529,8.003032287,4342.872585,3643.766351,7578.921305,10341.75226,10717.8266,7574.612576,6095.657421,4611.235353,3328.517736,40.77777778,48.41666667,75.16666667,92.91666667,83.66666667,62.33333333,51,39,18,45.09238923,49.11105724,28.37616965,18.01849341,13.98423473,15.00234407,13.28746539,5.945408,1.016064,151.8324082,201.1950963,137.1110885,104.7195808,85.21224938,90.70710369,85.41725893,68.26279863,31.08374443,6.971403077,7.23603952,7.071194583,6.986458222,6.910049778,6.932934667,6.919365556,6.895872,6.718464,1.165932011,1.582643903,1.176698093,0.970442118,0.827051624,0.868471273,0.834991068,0.741915752,0.444612905,167.033561,145.7506541,157.8941939,164.1547978,170.1242317,168.3247239,169.3238172,170.7864946,184.917652,1.568376068,1.936666667,1.565972222,1.474867725,1.328042328,1.385185185,1.416666667,1.444444444,1,0.036661319,-0.005562139,-0.008748152,-0.011740312,0.00490429,3.17E-04,0.001313716,-0.008367403,0.009552158,670.5194345,-58.02572029,-166.9134917,-237.1174496,88.82949773,-15.04370526,-15.76007218,-137.5424481,206.3136721,1246.859521,-107.9013047,-310.3827653,-440.9300228,165.1822442,-27.97441232,-29.30652719,-255.7660555,383.6490833,0.131350154,-0.01136684,-0.032697207,-0.04644968,0.017401089,-0.002946959,-0.00308729,-0.026943621,0.040415432,5.574042193,-0.482369036,-1.387555375,-1.971162357,0.738441487,-0.125058639,-0.131013812,-1.14339327,1.715089906,30.27828566,-2.620236259,-7.537222819,-10.70738521,4.011225878,-0.679320512,-0.711669107,-6.210930392,9.316395587,3.017094017,-1.240795529,0.263313609,-1.176035503,0.420118343,-0.055226824,0.848126233,-1.325443787,0.75739645,0.001410051,-2.22E-04,-1.82E-04,-1.86E-04,7.78E-05,7.05E-06,3.65E-05,-3.10E-04,5.31E-04,25.78920902,-2.321028812,-3.47736441,-3.763769041,1.409992027,-0.334304561,-0.437779783,-5.094164744,11.46187067,47.95613541,-4.316052187,-6.46630761,-6.99888925,2.621940384,-0.621653607,-0.8140702,-9.472816871,21.31383796,0.005051929,-4.55E-04,-6.81E-04,-7.37E-04,2.76E-04,-6.55E-05,-8.58E-05,-9.98E-04,0.002245302,0.214386238,-0.019294761,-0.028907404,-0.031288291,0.011721293,-0.002779081,-0.003639273,-0.042347899,0.095282773,1.164549448,-0.10480945,-0.157025475,-0.169958495,0.063670252,-0.015096011,-0.019768586,-0.230034459,0.517577533,0.116042078,-0.049631821,0.0054857,-0.01866723,0.006668545,-0.001227263,0.023559062,-0.049090511,0.042077581,-0.157785505,-0.12925291,-0.132161309,0.055207857,0.004998746,0.025879997,-0.219782033,0.376352011,-0.09,-0.134837963,-0.145943563,0.054673721,-0.012962963,-0.016975309,-0.197530864,0.444444444,-0.09,-0.134837963,-0.145943563,0.054673721,-0.012962963,-0.016975309,-0.197530864,0.444444444,-0.09,-0.134837963,-0.145943563,0.054673721,-0.012962963,-0.016975309,-0.197530864,0.444444444,-0.09,-0.134837963,-0.145943563,0.054673721,-0.012962963,-0.016975309,-0.197530864,0.444444444,-0.09,-0.134837963,-0.145943563,0.054673721,-0.012962963,-0.016975309,-0.197530864,0.444444444,-0.427705382,0.047273371,-0.160866046,0.057466613,-0.010576015,0.203021719,-0.423040604,0.362606232,1.692219763,1.235860156,1.141057762,0.775491998,0.892984997,0.873979217,1.147505828,1.94E-05,1.625,1.316550926,1.14638448,0.78813933,0.902777778,0.877700617,1.00308642,0,1.625,1.316550926,1.14638448,0.78813933,0.902777778,0.877700617,1.00308642,0,1.625,1.316550926,1.14638448,0.78813933,0.902777778,0.877700617,1.00308642,0,1.625,1.316550926,1.14638448,0.78813933,0.902777778,0.877700617,1.00308642,0,1.625,1.316550926,1.14638448,0.78813933,0.902777778,0.877700617,1.00308642,0,2.03470255,0.834366147,1.150849858,0.690509915,0.889990557,0.78641407,1.841359773,0,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,49.17971066,24.49263311,39.41169489,49.03387732,6.129234666,24.49263311,-0.194444444,0.05549221,0.006936526,-2.313210101,31.51694111,3.939617639,2.760420171,0,11.89,12.11011416,-0.164721685,0.05599046,5.126994156,7.569956516,7,25,25,25,7,0,0,0,0,0,19.677726,3.512791118,3.238919284,2.754377525,2.333552793,2.16106297,1.602622042,1.212098241,0.967458465,1.92602284,1.749460495,1.439016878,1.249629723,1.066801236,0.747854632,0.554062797,0.378649273,3.540819883,3.274033784,2.803505181,2.405454588,2.230004045,1.69577801,1.328517454,1.093122251,1.865897482,1.676662806,1.346012258,1.134540686,0.950804492,0.609697056,0.400399929,0.219909271,3.663808076,3.427740613,3.01583014,2.704236987,2.521456068,2.07820745,1.79101269,1.584733213,1.688302405,1.458206375,1.05722802,0.76031856,0.576892714,0.14884779,0.126014232,0.328103809,3.56145617,3.299879996,2.839550007,2.457539916,2.28026614,1.763065027,1.411651868,1.182331103,1.827544674,1.629899281,1.28542041,1.058262671,0.874135771,0.51723375,0.296605772,0.112419936,3.723525777,3.501894309,3.116132114,2.838982085,2.65496015,2.247244052,1.988445773,1.791731238,1.632689995,1.38894938,0.962758478,0.631337262,0.449701075,0.014206762,0.318616961,0.530855554,3.554485372,3.348832867,2.922379464,2.657839583,2.364393205,1.850220107,1.518359463,1.288785188,1.821844405,1.566416066,1.177546527,0.857839583,0.755760656,0.393212957,0.157480166,0.024805111,0,0,0,0,0,3,4,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.144337567,0.288675135,0.204124145,0.144337567,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,6.825046296,0,5.604074074,0,0,0,0.904212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.250324074,0,1.353888889,0,0,0,0.904212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.287361111,0,1.424768519,0,0,0,0.904212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.666666667,0.2,2.287361111,0.2,0.904212963,6.033874213,0.42912037,0.287361111,1.650092593,0.42912037,0.287361111,1.650092593,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.375,0.125,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.40872,1.05109,8.40872,0,0,3.77005,0.47126,3.77005,0,0,0.14395,0.01799,0.14395,0.01799,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.52623491,3.093730583,2.430457026,2.008000925,23.15278265,34.39789514,65.68210766,80.43699516,63.19188266,52.20802404,0.189448582,0.281462171,0.537446507,0.658178972,0.517070141,0.427194272,3.809948078,3.377443751,2.174204808,1.606709135,2.269982693,2.692438793,0.191756937,0.284891675,0.543995078,0.66619862,0.523370433,0.432399463,6.648700044,11.83875197,16.75276226,14.99529819,11.79017873,12.55213632,31.72521615,24.13720728,20.30507436,22.09939553,27.99758443,21.09608714,8,5.142857143,7.2,8,0,7,2.34,1.2358,0.721124785,4.146039495,1.754410643,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.538,7,5,4,3,2,0,0,0,0,36,2.079441542,2.079441542,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,7,1,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,0,146.9243357,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,114.1408506,4.390032714,14.66595917,1.833244896,0,0,0,79,5,4.831,28,1.2278,2.11761443,2.869523731,3.522731356,4.659330025,5.700733816,6.739604562,7.6460672,0,0,71.2221278,68.08752346,60.48242812,62.56281571,83.66926384,88.14618725,43.01500053,7.768893624,0,0,272.5498825,313.605011,324.113785,344.3741487,468.6446156,530.0032674,482.2788943,237.6683987,0,0,8.919363223,15.02844115,20.09547913,24.46743974,32.43406668,39.5739121,46.58145234,51.36982723,0,0,2.081648384,2.634998592,2.924434097,3.20212955,4.347684954,5.046203377,5.177858357,3.399540149,0,0,176.77647,330.4239685,467.7042365,589.9301237,774.4454149,955.5778309,1142.590018,1413.892794,0,0,2.435676667,3.425910754,4.328745309,4.89759239,6.7048841,8.386110038,10.0005416,7.6460672,0,0,0.4321989,0.557170835,0.626552001,0.690477082,0.936577657,1.091762356,1.138840444,0.782957281,0,0,417.6863934,187.2240734,10.19522471,149.9471702,-67.21243603,-9.084440154,267.7392232,254.4365095,19.27966486,0.735838083,0.329832634,0.017960926,0.264161917,-0.118408143,-0.016004057,237.0928159,106.274668,5.787151733,85.11504654,-38.15203458,-5.156633137,0.065561676,0.145381405,0.980442389,9.464141681,567.6335635,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,697.4366738,26.40902637,8.868188725,1.99023833,1.896459864,800.2727231,752.9108926,87.83305507,1.062904961,9.111293266,8.57206768,4.546451998,4.466158665,8.836778877,0.978608361,5.020209962,6.639711035,2.900174803,24.54112878,9.321022415,3.228366089,5.252105494,11.52747078,9.750016298,3.548427425,3.887846315,7.457765018,5.146040259,3.800250312,2.755731928,0.260945109,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.421311435,6.639327146,0.184578564,7.345631963,0.565195848,0.090461646,0.56117669,0.516345165,3.206018704,0.146233275,0.034217053,0.802523222,0.253539163,0.955317836,0.114730901,0.001837924,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.360044669,6.639353507,0.634595672,9.047470715,1.161208758,0.410839064,1.335524754,1.923838833,4.192263275,0.571701187,0.301586084,1.593596027,0.935963547,1.26829292,0.447155927,0.019152065,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,4.738668689,6.639669138,2.697032192,22.84877673,8.363576457,2.923012395,4.900130534,10.55617383,9.225747141,3.24498692,3.468240385,6.849607169,4.734649826,3.531369355,2.520942422,0.23249744,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,2.004455605,6.639387042,0.97448535,10.75260052,1.924056145,0.725823057,1.921477541,3.139485701,4.973070418,0.943640996,0.639299307,2.30511668,1.498324515,1.562636949,0.736716796,0.041600681,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,6.062630571,6.639887047,3.694212814,31.53342808,13.34450521,4.487544146,6.628885491,15.46119872,11.83154466,4.779978768,5.650023847,9.937412178,6.79625955,4.903338635,3.708061929,0.380563701,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,3.145998243,5.8332612,1.431573317,14.39668315,3.73465636,1.472361706,2.797687357,5.267984438,6.514947328,1.66349802,1.419777717,4.255029879,2.550496848,2.648035925,1.438420738,0.09394055,0.05015848,5.68E-20,1.24E-59,5.23E-121,4.25E-204,0.00E+00,0,0,0,0,0,0,0,0,7.376093849,1.09401537,0.5837864,0.814687308,0.120833663,0.561019305,0.465215223,0.432107025,9.053895618,13.0142946,26.77908962,0.722030962,1.458341553,6.419161133,0.592226988,0.177884176,0.892880512,0.082376486,0.424747633,0.135713272,0.03998713,7.189272297,5.048815464,12.91433233,0.839320769,0.600448036,6.813526748,0.799063019,0.345205182,0.856207881,0.100412617,0.478606175,0.247560753,0.150836568,7.957794949,8.072342687,17.90958559,0.784311821,0.877003496,7.35379518,1.082326376,0.574331796,0.81614042,0.12011897,0.557627678,0.455285324,0.418201121,9.010453352,12.80433933,26.38601804,0.724210629,1.431114123,6.983080047,0.887971448,0.417123854,0.842535269,0.107137145,0.502753589,0.30595946,0.220359998,8.288175349,9.483979035,20.35864584,0.763802903,1.029073046,7.445477347,1.130385219,0.613203848,0.810253949,0.123014153,0.571638541,0.496801164,0.476831743,9.189066414,13.67500947,28.0249574,0.715380923,1.545271447,7.379196446,1.085871882,0.575267527,0.816252467,0.120114109,0.56149835,0.458341568,0.419362733,9.040335854,12.88254085,26.53241597,0.724378701,1.439202651 +UMLRON0131,L,2-Methylheptane,CCCCCC(C)C,11594,,"Sandia, UML",[1],C8H18,PubChem,,21.7,0,0.4384,0.19219456,26.3209,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,814.203604,644.794923,450.070322,253.313593,67.647888,6.096384,0,2914.106344,3494.423905,4091.649529,3665.843967,2721.213111,1714.414766,791.2692929,186.5024666,0,125.864664,123.114164,212.42632,257.436012,207.98804,145.10314,82.617408,40.310784,0,22.06875486,27.30703172,35.42523222,34.18644125,26.0541382,17.03260934,8.680011884,2.667677429,0,2979.777961,2471.442353,4710.929395,6158.861568,5049.741717,3570.786562,2060.036303,1109.505912,0,35.75,39.5,52.75,57.5,47.5,35,20,6,0,48.76541633,50.97680359,27.14012013,17.42688981,15.00234407,12.06255205,5.637324,1.016064,0,161.8947969,205.5543474,136.3883176,99.07686397,90.70710369,81.63879838,65.93910774,31.08374443,0,6.992481333,7.242009647,7.080877333,6.957730054,6.932934667,6.909673333,6.884784,6.718464,0,1.226041937,1.606295984,1.180841074,0.923957872,0.868471273,0.811076635,0.723334324,0.444612905,0,165.54322,145.3789619,157.0309798,166.4557181,168.3247239,170.0374553,171.6696919,184.917652,0,1.986111111,2.323529412,1.758333333,1.554054054,1.583333333,1.666666667,1.666666667,1,0,0.045054579,-0.007629605,-0.020787935,0.001772882,0.002983004,-0.001672888,-0.004523679,0.00733093,0,484.264036,-53.80711511,-201.7766817,-26.90355756,-2.45E-13,-1.88E-13,-40.35533633,80.71067267,0,900.5096538,-100.0566282,-375.2123557,-50.0283141,-1.49E-13,-9.24E-14,-75.04247115,150.0849423,0,0.094864,-0.010540444,-0.039526667,-0.005270222,-4.52E-16,-4.59E-16,-0.007905333,0.015810667,0,4.025697139,-0.447299682,-1.677373808,-0.223649841,-1.11E-15,-1.11E-15,-0.335474762,0.670949523,0,21.86765075,-2.429738973,-9.111521147,-1.214869486,-2.40E-14,-2.49E-14,-1.822304229,3.644608459,0,5.069444444,-0.718364198,-1.212962963,-0.198302469,0.064814815,0.293981481,-1.324074074,0.560185185,0,0.002503032,-4.49E-04,-6.93E-04,4.79E-05,9.94E-05,-7.97E-05,-3.77E-04,0.001221822,0,26.90355756,-3.165124418,-6.725889389,-0.727123177,-8.17E-15,-8.97E-15,-3.362944694,13.45177878,0,50.0283141,-5.885684011,-12.50707852,-1.352116597,-4.97E-15,-4.40E-15,-6.253539262,25.01415705,0,0.005270222,-6.20E-04,-0.001317556,-1.42E-04,-1.51E-17,-2.18E-17,-6.59E-04,0.002635111,0,0.223649841,-0.026311746,-0.05591246,-0.00604459,-3.70E-17,-5.29E-17,-0.02795623,0.111824921,0,1.214869486,-0.142925822,-0.303717372,-0.03283431,-7.99E-16,-1.18E-15,-0.151858686,0.607434743,0,0.281635802,-0.042256718,-0.040432099,-0.005359526,0.002160494,0.013999118,-0.110339506,0.093364198,0,-0.179302651,-0.276836696,0.019143074,0.039725209,-0.031825925,-0.150606618,0.488136632,0,-0.117647059,-0.25,-0.027027027,-3.04E-16,-3.33E-16,-0.125,0.5,0,-0.117647059,-0.25,-0.027027027,-9.94E-17,-8.79E-17,-0.125,0.5,0,-0.117647059,-0.25,-0.027027027,-2.86E-15,-4.15E-15,-0.125,0.5,0,-0.117647059,-0.25,-0.027027027,-1.65E-16,-2.36E-16,-0.125,0.5,0,-0.117647059,-0.25,-0.027027027,-6.58E-16,-9.75E-16,-0.125,0.5,0,-0.15004029,-0.143561644,-0.019029989,0.007671233,0.049706458,-0.391780822,0.331506849,0,1.455868032,1.214631295,0.775218228,0.819205292,1.052855322,1.284161349,0.172028906,0,1.5,1.345833333,0.918918919,0.85,0.80952381,0.885416667,0,0,1.5,1.345833333,0.918918919,0.85,0.80952381,0.885416667,0,0,1.5,1.345833333,0.918918919,0.85,0.80952381,0.885416667,0,0,1.5,1.345833333,0.918918919,0.85,0.80952381,0.885416667,0,0,1.5,1.345833333,0.918918919,0.85,0.80952381,0.885416667,0,0,1.479452055,0.880273973,0.781710478,0.880273973,1.077886497,1.956164384,0,0,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,31.27682875,15.44396993,25.9887257,31.01756949,5.169594915,15.44397043,-0.388888889,0.124574688,0.020762448,-1.249709906,18.41195241,3.068658735,1.747800025,0,11.79,12.21003864,-0.306948088,0.113259644,5.043588996,6.867641906,5,17,16,16,4,1,1,0,0,1,13.118484,3.458920783,3.081433849,2.474593995,1.798301595,1.270833524,0.912162299,0.083923071,0.083923071,1.871067874,1.601124015,1.234242683,0.85315218,0.583297216,0.349823653,0.083923071,0.083923071,3.486242029,3.116946261,2.529913706,1.881474931,1.383461819,1.040132512,0.270913902,0.270913902,1.810042582,1.526761479,1.132871809,0.722633833,0.431818797,0.188559346,0.270913902,0.270913902,3.607337672,3.272942385,2.768036719,2.228163834,1.833651535,1.54162827,0.943918427,0.943918427,1.63167727,1.303946671,0.814188514,0.293094176,0.085189605,0.369467173,0.943918427,0.943918427,3.506424851,3.143118662,2.570467833,1.941863518,1.464075869,1.131075451,0.399277246,0.399277246,1.771268192,1.479012186,1.066499307,0.635696325,0.329627854,0.079258848,0.399277246,0.399277246,3.6667978,3.348444081,2.879665477,2.383968123,2.026932228,1.752709359,1.207644823,1.207644823,1.576518823,1.233500967,0.70872011,0.14362648,0.273414305,0.576303946,1.207644823,1.207644823,3.56331855,3.201166553,2.622093931,1.974529291,1.501563956,1.238745386,0.52173913,0.52173913,1.825286888,1.397650368,0.953927062,0.566776652,0.26877056,0.041428646,0.52173913,0.52173913,0,0,1,1,0,1,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.405777394,2.523603362,1.43090366,0.761801681,0.348461713,0.144337567,0,0,0.734296232,0.504720672,0.357725915,0.253933894,0.174230856,0.144337567,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,4,1,0,2,0,0,0,0,0,0,0,0,1,1,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.56,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.389652778,0.334097222,0,0,0.97625,0.290277778,0,0.72375,0,0,0,0,0,0,0,0,2.184027778,3.598194444,3.755972222,0,1.961805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.961805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.389652778,0.334097222,0,0,0.216944444,0.290277778,0,0.334097222,0,0,0,0,0,0,0,0,2.184027778,3.598194444,1.177083333,0,1.961805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.598194444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.389652778,0.334097222,0,0,0.290277778,0.290277778,0,0.389652778,0,0,0,0,0,0,0,0,2.184027778,3.598194444,1.295138889,0,1.961805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.5,1.916666667,0.389652778,3.598194444,0.216944444,1.177083333,4.44741,0.322916667,0.598194444,1.564444444,0.322916667,0.598194444,1.564444444,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.33333,0,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.16595,0.69433,5.31294,1.14699,0.19117,2.34933,0.39156,2.91421,0.56488,0.09415,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.209690973,3.239097918,3.350209029,3.46132014,2.99799514,16.52932501,39.77443751,58.30376252,60.30376252,62.30376252,53.96391252,0.220218789,0.529911443,0.776776061,0.803421891,0.83006772,0.718956609,3.251629167,1.960234029,0.930827083,0.819715972,0.708604861,1.171929861,0.220218789,0.529911443,0.776776061,0.803421891,0.83006772,0.718956609,6.73287657,16.28447751,18.54329237,17.43392015,18.76725349,13.20735349,23.69925001,15.57894792,13.20167153,14.12832153,12.68170487,9.901754865,6,5,5.333333333,6,2,6,2.12,0.911,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,2.661,4,3,2,1,0,0,0,0,0,21,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,0,3.295836866,1.238095238,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.6,4,0.8,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,109.6959078,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,84.09390038,4.671883355,10.83915043,1.806525072,0,0,0,35,3,3.388,18,1.219,2.124655496,2.87026109,3.599440952,4.930369098,5.978086629,7.169405074,0,0,0,72.30904117,64.6414684,60.43324486,69.47631059,69.63408749,36.88897661,7.284574397,0,0,0,274.3286679,309.9824628,311.5229656,381.2510511,437.4092892,418.2391145,222.851955,0,0,0,8.860546952,15.09132023,20.02155858,25.12134335,34.17003774,41.27259223,48.16738989,0,0,0,2.086978642,2.633030145,2.809776862,3.492366966,4.229824878,4.516466754,3.187610016,0,0,0,175.1912326,330.2480674,474.2540474,593.2629008,830.6054913,1017.115495,1325.749553,0,0,0,2.908147059,3.848892297,4.616597368,6.181134853,8.642988481,10.40297177,7.169405074,0,0,0,0.432999265,0.557556943,0.602581451,0.750469978,0.917494976,0.994458414,0.73414708,0,0,0,354.9261424,141.8046153,11.60283628,172.2757127,-68.82978805,-11.96992996,182.6504297,210.6344033,23.57276624,0.673226278,0.268975941,0.022008337,0.326773722,-0.130556802,-0.022704643,187.1177207,74.75965623,6.117036813,90.82407533,-36.28719195,-6.310569281,0.141740147,0.256876213,2.925498362,6.672767062,527.2018551,0,1,0,331.0578085,18.19499405,6.917799096,447.9391783,21.16457366,7.651378443,470.406918,21.68886622,7.777223265,2.274474557,2.274474557,418.6850913,400.7989294,31.24470959,1.044626271,13.40019148,12.82773739,3.603042686,4.466158665,7.71775273,0.728051623,3.591793317,3.914879446,2.830842966,12.94577407,6.43685253,1.02735528,4.032441475,9.057111411,3.896184515,0.529466082,1.534601771,1.598253814,1.550431541,0.017449186,6.94E-04,5.32E-27,7.87E-72,2.25E-138,1.24E-226,0,0,0,0,0,0,0,0,0,0,0,0.301445031,3.914691945,0.184264475,3.920421939,0.048232772,0.084788813,0.413582797,0.242875725,1.712715599,0.036822613,0.100186293,0.085980945,0.074062434,1.23E-04,4.89E-06,3.75E-29,5.55E-74,1.58E-140,8.71E-229,0,0,0,0,0,0,0,0,0,0,0,0.973075264,3.914704874,0.629954714,4.640094862,0.479872777,0.267503382,1.143307203,1.124846654,2.071706289,0.123883519,0.317375688,0.309023168,0.276018499,0.001280673,5.09E-05,3.91E-28,5.78E-73,1.65E-139,9.07E-228,0,0,0,0,0,0,0,0,0,0,0,3.390360553,3.914859001,2.635378735,11.99611196,5.737114814,0.966226391,3.807727152,8.193034361,3.731841864,0.494531611,1.420041203,1.47537522,1.424884026,0.015546911,6.18E-04,4.74E-27,7.01E-72,2.00E-138,1.10E-226,0,0,0,0,0,0,0,0,0,0,0,1.434128364,3.914721275,0.963975853,5.467449117,1.035217733,0.395806391,1.646901076,2.002628451,2.343885722,0.187655976,0.488918203,0.487564408,0.444169621,0.002781791,1.11E-04,8.48E-28,1.26E-72,3.58E-139,1.97E-227,0,0,0,0,0,0,0,0,0,0,0,4.337608177,3.914965322,3.592530585,16.91286411,9.378093652,1.257577606,4.868057209,12.62481777,4.539497412,0.664234574,1.989136839,2.087619419,2.055204989,0.025447997,0.001011965,7.76E-27,1.15E-71,3.28E-138,1.80E-226,0,0,0,0,0,0,0,0,0,0,0,1.924005911,2.866946517,1.343660624,5.894278932,1.764854296,0.413376995,2.601724555,2.782704901,3.021492797,0.261302446,0.801108213,0.699301204,0.689686057,0.004749875,1.89E-04,1.45E-27,2.14E-72,6.12E-139,3.37E-227,0,0,0,0,0,0,0,0,0,0,0,5.449928347,0.787710856,0.368189675,0.825018094,0.119244817,0.517053894,0.554548115,0.444431505,6.605828877,6.589602072,14.77605734,0.73752714,1.516033514,4.731882475,0.292070363,0.079375888,0.927214908,0.057231344,0.389995847,0.076041412,0.020655648,5.103328726,1.780823348,6.993852935,0.890822362,0.486692906,5.016769728,0.489219939,0.194083349,0.880123766,0.08582696,0.43822327,0.213779667,0.123491818,5.700073016,3.522924699,9.699337214,0.820185648,0.775494755,5.432122407,0.775469341,0.361039459,0.826979356,0.118056459,0.513682047,0.537462632,0.427337463,6.568631207,6.45362995,14.5431198,0.740469034,1.478482142,5.143884527,0.576968795,0.245213186,0.862190276,0.096708408,0.460667106,0.297484712,0.197128432,5.966066509,4.370689531,11.06451466,0.793285413,0.955280251,5.505683066,0.826026695,0.390575091,0.819019602,0.122878859,0.527684987,0.609732648,0.500115958,6.722284852,7.020849302,15.51940764,0.728529403,1.637533592,5.475525829,0.773681135,0.360548002,0.828400728,0.117051409,0.521923309,0.53498316,0.426174847,6.609754966,6.489450124,14.62659857,0.742601093,1.483081316 +UMLRON0132,L,1-Hexene,CCCCC=C,11597,,"Sandia, UML",[1],C6H12,PubChem,,76.4,0,1.9262,3.71024644,29.198,17.22793,0,0,16,6,10,0,6,0,0,0,0,0,0,0,0,0,875.745366,842.391485,774.834148,614.484363,421.79189,226.051225,52.492608,4.064256,0,2851.938855,3264.950672,3654.188447,3249.868268,2367.4049,1391.6903,583.2814432,124.3349777,0,112.427736,108.8789,170.918032,202.889964,166.87892,110.712484,55.344384,26.873856,0,21.17952905,25.0799431,30.75076058,29.2916752,22.04859796,13.471682,6.232628859,1.778451619,0,2609.942657,2165.197258,3696.808796,4743.110561,4003.826014,2709.788511,1352.160799,739.6706081,0,40.5,42.25,50,54,46,32,16,4,0,54.73408538,56.15943233,32.28475617,21.18911597,17.57466208,14.12820156,6.561576,1.016064,0,178.2461784,217.6633782,152.2578519,112.064423,98.64187085,86.98064374,72.9101804,31.08374443,0,7.0267335,7.258593333,7.121584667,6.996205655,6.953288333,6.91953025,6.918048,6.718464,0,1.323720566,1.671996207,1.281281691,1.010057765,0.918691582,0.841980125,0.779078607,0.444612905,0,163.121416,144.3464838,154.0336998,163.5555366,166.8260839,169.3617819,169.0200999,184.917652,0,2.53125,2.816666667,2.083333333,1.862068966,1.916666667,2,2,1,0,0.06112864,-0.010659406,-0.02990795,0.003356601,0.009123919,-0.004007315,-0.009780289,0.01131012,0,453.9975338,-47.29140977,-196.7322646,-51.07472255,15.13325112,30.26650225,-45.39975338,68.09963006,0,844.2278004,-87.94039587,-365.8320468,-94.97562754,28.14092668,56.28185336,-84.42278004,126.6341701,0,0.088935,-0.009264062,-0.0385385,-0.010005188,0.0029645,0.005929,-0.0088935,0.01334025,0,3.774091068,-0.393134486,-1.635439463,-0.424585245,0.125803036,0.251606071,-0.377409107,0.56611366,0,20.50092258,-2.135512769,-8.883733119,-2.30635379,0.683364086,1.366728172,-2.050092258,3.075138387,0,7.4375,-1.50390625,-2.46875,-1.07421875,0.71875,1.8125,-1.96875,0.765625,0,0.00382054,-7.11E-04,-0.001246165,1.16E-04,3.80E-04,-2.50E-04,-0.001222536,0.00282753,0,28.37484586,-3.152760651,-8.197177693,-1.761197329,0.63055213,1.891656391,-5.674969172,17.02490752,0,52.76423752,-5.862693058,-15.24300195,-3.275021639,1.172538612,3.517615835,-10.5528475,31.65854251,0,0.005558437,-6.18E-04,-0.001605771,-3.45E-04,1.24E-04,3.71E-04,-0.001111688,0.003335062,0,0.235880692,-0.026208966,-0.068143311,-0.014640871,0.005241793,0.015725379,-0.047176138,0.141528415,0,1.281307661,-0.142367518,-0.370155547,-0.079529441,0.028473504,0.085420511,-0.256261532,0.768784597,0,0.46484375,-0.100260417,-0.102864583,-0.037042026,0.029947917,0.11328125,-0.24609375,0.19140625,0,-0.18600174,-0.326174983,0.030295418,0.099505119,-0.06555544,-0.319990409,0.740086503,0,-0.111111111,-0.288888889,-0.062068966,0.022222222,0.066666667,-0.2,0.6,0,-0.111111111,-0.288888889,-0.062068966,0.022222222,0.066666667,-0.2,0.6,0,-0.111111111,-0.288888889,-0.062068966,0.022222222,0.066666667,-0.2,0.6,0,-0.111111111,-0.288888889,-0.062068966,0.022222222,0.066666667,-0.2,0.6,0,-0.111111111,-0.288888889,-0.062068966,0.022222222,0.066666667,-0.2,0.6,0,-0.215686275,-0.221288515,-0.079687047,0.06442577,0.243697479,-0.529411765,0.411764706,0,1.33775597,1.234060716,0.794906734,0.769357209,1.055085323,1.489746225,0,0,1.333333333,1.333333333,0.965517241,0.833333333,0.75,1,0,0,1.333333333,1.333333333,0.965517241,0.833333333,0.75,1,0,0,1.333333333,1.333333333,0.965517241,0.833333333,0.75,1,0,0,1.333333333,1.333333333,0.965517241,0.833333333,0.75,1,0,0,1.333333333,1.333333333,0.965517241,0.833333333,0.75,1,0,0,1.445378151,0.945378151,0.904085772,0.882352941,0.756302521,2.016806723,0,0,20.45507159,10.2275358,17.10689764,20.45507159,3.409178599,10.22764316,-7.11E-15,1.11E-16,1.85E-17,-22.04208034,17.57227632,2.928712721,1.719793471,20.45507159,10.2275358,17.10689764,20.45507159,3.409178599,10.22764316,-7.11E-15,1.11E-16,1.85E-17,-22.04208034,17.57227632,2.928712721,1.719793471,20.45507159,10.2275358,17.10689764,20.45507159,3.409178599,10.22764316,-7.11E-15,1.11E-16,1.85E-17,-22.04208034,17.57227632,2.928712721,1.719793471,20.45507159,10.2275358,17.10689764,20.45507159,3.409178599,10.22764316,-7.11E-15,1.11E-16,1.85E-17,-22.04208034,17.57227632,2.928712721,1.719793471,20.45507159,10.2275358,17.10689764,20.45507159,3.409178599,10.22764316,-7.11E-15,1.11E-16,1.85E-17,-22.04208034,17.57227632,2.928712721,1.719793471,20.45507159,10.2275358,17.10689764,20.45507159,3.409178599,10.22764316,-7.11E-15,1.11E-16,1.85E-17,-22.04208034,17.57227632,2.928712721,1.719793471,32.6985227,16.09926135,27.78068742,32.36518937,5.394198228,16.09926163,-0.5,1.67E-16,2.78E-17,-21.79880128,15.09608235,2.516013725,1.628661158,0,11.79,12.21003864,-0.306803057,0.113410186,5.065291462,6.953009198,5,15,13,13,3,2,2,0,0,2,10.93207,3.478225918,3.113631935,2.435431431,1.629061439,0.964924317,0.880702308,0.083923071,0.083923071,1.848725124,1.550082828,1.161168607,0.73615055,0.361732739,0.340579076,0.083923071,0.083923071,3.502639563,3.141576011,2.485814003,1.715787555,1.085822076,1.012020186,0.270913902,0.270913902,1.793389557,1.484029823,1.060824261,0.599485824,0.202428229,0.178018289,0.270913902,0.270913902,3.610957912,3.2675261,2.70764092,2.079740848,1.568148295,1.523470719,0.943918427,0.943918427,1.632772187,1.293202104,0.751505396,0.148080927,0.345295195,0.386291185,0.943918427,0.943918427,3.520676744,3.162338536,2.523032488,1.778957544,1.172369805,1.105121541,0.399277246,0.399277246,1.758340659,1.442221267,0.995577481,0.508300495,0.094667745,0.067725538,0.399277246,0.399277246,3.664285536,3.330430817,2.814178568,2.243719329,1.774030351,1.737548156,1.207644823,1.207644823,1.583362147,1.235174985,0.651661677,0.009206699,0.546259991,0.5964083,1.207644823,1.207644823,3.498331687,3.290539273,2.542536999,1.769062923,1.216783116,1.134518332,0.461538462,0.461538462,1.845866142,1.357313309,0.921747066,0.49610999,0.041891935,0.019613119,0.461538462,0.461538462,0,0,2,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,3.983127663,2.132993162,1.154700538,0.574914957,0.23570226,0.083333333,0,0,0.663854611,0.426598632,0.288675135,0.191638319,0.11785113,0.083333333,0,0,8.709139019,15.43918427,14.62745098,14.8,9.992772455,121.8839701,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,1.99098,29.088,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,2,2,0,4,0,0,0,0,0,0,0,0,0,2,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.88194444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.813194444,0.719444444,0,0,0.667361111,0.667361111,0,1.532638889,0,0,0,0,0,0,0,0,0,7.100833333,2.118055556,0,3.781111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.890555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0.359722222,0,0,0.333680556,0.333680556,0,0.359722222,0,0,0,0,0,0,0,0,0,3.550416667,1.059027778,0,1.890555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.550416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0.359722222,0,0,0.333680556,0.333680556,0,0.406597222,0,0,0,0,0,0,0,0,0,3.550416667,1.059027778,0,1.890555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13,2.166666667,0.406597222,3.550416667,0.333680556,1.059027778,4.337678889,0.440972222,0.550416667,2.201666667,0.440972222,0.550416667,2.201666667,3,0.5,0,0,0.45,0.7,0.42,0.42,0.7,0.03,0.03,0,0,0.71429,0,0,0.33333,0,0,4.5,0.75,2.5,0.41667,2,0.33333,-0.5,-0.08333,0,0,3.11275,0.51879,5.31294,2.20019,0.3667,1.78445,0.29741,2.91421,1.12976,0.18829,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,0.333333333,0.954434003,2.155639062,2.5,2.5,2.5,2.125,15.27094405,34.490225,40,40,40,34,0.238608501,0.538909766,0.625,0.625,0.625,0.53125,3.045565997,1.844360938,1.5,1.5,1.5,1.875,0.233502796,0.527378265,0.611626355,0.611626355,0.611626355,0.519882402,6.794779896,14.53870385,14.88575942,14.88575942,14.88575942,10.38575942,23.34095565,18.68383437,18.25,18.25,18.25,13.75,6,5,5.333333333,6,2,6,2.12,0.868,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.131,0.136,0.207,0.294,2.554,4,3,2,1,0,0,0,0,0,21,2.079441542,1.945910149,1.791759469,1.609437912,1.609437912,0,0,0,0,0,3.496507561,1.523809524,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.6,3,0.6,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,107.0594491,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,82.07825032,5.129890645,10.83915043,1.806525072,0,0,0,35,3,3.022,18,1.2166,2.15550338,2.925880877,3.661005681,4.98356708,6.108964496,7.296621486,0,0,0,78.08556488,77.04295297,73.65692911,81.73736804,82.26348551,43.48941882,7.413834413,0,0,0,287.6178363,348.428095,357.1452791,419.8064103,472.8607649,471.0874341,226.8063175,0,0,0,8.862041681,15.39222324,20.52006499,25.62527029,34.59550083,42.38465561,49.02208877,0,0,0,2.157903525,2.882111446,3.121559103,3.748866396,4.453303157,4.964727884,3.244172074,0,0,0,173.6671565,329.0893831,475.1887635,598.0460248,835.6747123,1022.776579,1349.274113,0,0,0,3.51645,4.622266835,5.662691039,7.747163663,10.68128629,12.83193614,7.296621486,0,0,0,0.4465905,0.60733613,0.665542073,0.802125658,0.962083774,1.088098413,0.74717404,0,0,0,270.4641621,121.7231266,12.65760731,181.993346,-81.90659686,-16.60375725,88.47081614,203.6297234,29.26136456,0.597766989,0.269026648,0.02797524,0.402233011,-0.181026053,-0.036696832,122.3735408,55.07454254,5.727029463,82.34425583,-37.05925471,-7.512494629,0.125850081,0.228020393,2.68105128,15.1450123,452.4575081,0,1,0,351.7077712,18.7538735,7.05874221,449.8520058,21.20971489,7.662254162,492.5723386,22.19397077,7.897506763,2.258179632,2.258179632,399.2414396,380.4919189,25.40798688,1.049277054,15.71322598,14.97528791,3.465488042,4.57798827,7.986492119,0.744541849,3.278978886,3.087092225,3.44843919,10.4487165,5.340399271,1.911385148,5.535358693,4.646962029,5.198956249,1.30E-06,2.135447838,0.813923607,1.824834014,8.88E-05,0.981919172,3.53E-12,2.45E-45,3.28E-100,8.47E-177,4.22E-275,0,0,0,0,0,0,0,0,0,0,0.275203392,3.087007217,0.219166372,3.764021233,0.040483128,0.168571771,0.464803032,0.116424914,1.391447078,1.09E-07,0.166603089,0.068309343,0.143074179,6.25E-07,0.006915737,2.49E-14,1.73E-47,2.31E-102,5.96E-179,2.97E-277,0,0,0,0,0,0,0,0,0,0,0.888338008,3.087013147,0.753777079,4.341639256,0.399329343,0.524290617,1.481911543,0.556091839,1.98027719,3.51E-07,0.358677675,0.220503049,0.468497284,6.52E-06,0.072067312,2.59E-13,1.80E-46,2.41E-101,6.21E-178,3.09E-276,0,0,0,0,0,0,0,0,0,0,3.095089902,3.08708298,3.206682795,9.761115429,4.760175948,1.80468198,5.218610482,4.197989136,4.899226435,1.22E-06,1.94069324,0.768276907,1.71555963,7.91E-05,0.874872304,3.15E-12,2.18E-45,2.92E-100,7.54E-177,3.76E-275,0,0,0,0,0,0,0,0,0,0,1.309235701,3.087020609,1.15775285,4.971794147,0.860333646,0.768488328,2.18543953,1.00194928,2.440419678,5.18E-07,0.552827374,0.324979868,0.697193027,1.42E-05,0.156539831,5.63E-13,3.91E-46,5.23E-101,1.35E-177,6.72E-276,0,0,0,0,0,0,0,0,0,0,3.959837022,3.087131042,4.393584108,13.31066069,7.779108448,2.306469602,6.715324744,6.504164394,6.384381961,1.57E-06,2.940811474,0.982933621,2.236601773,1.29E-04,1.43203683,5.15E-12,3.57E-45,4.78E-100,1.23E-176,6.15E-275,0,0,0,0,0,0,0,0,0,0,1.58538157,1.910927553,1.386143838,4.483238149,1.15320102,0.616389962,3.16385978,1.105837089,3.325297585,5.52E-07,0.754010788,0.520139022,1.110354264,1.89E-05,0.209166214,7.52E-13,5.22E-46,6.99E-101,1.80E-177,8.98E-276,0,0,0,0,0,0,0,0,0,0,5.360661088,0.847095519,0.2064615,0.835746618,0.132065281,0.500459709,0.557316844,0.25,6.414218107,5.822654729,13.17441285,0.753619926,1.307776553,4.595040013,0.268904179,0.04053528,0.936906768,0.054828281,0.367673106,0.055998165,0.009636697,4.904479472,1.432786801,6.387352697,0.905360153,0.433307968,4.881885035,0.485990969,0.102757878,0.892380141,0.088836318,0.414987178,0.183270927,0.061928721,5.470633883,2.92414359,8.638575887,0.838570211,0.660186826,5.339869341,0.83144463,0.201961773,0.837853179,0.130457972,0.496578416,0.536922257,0.239221496,6.373275743,5.686175198,12.95612197,0.756779768,1.272722168,5.016765321,0.587873632,0.131992004,0.874514215,0.102477157,0.438242146,0.268313586,0.10217793,5.736630957,3.688991578,9.814896528,0.811771323,0.808733661,5.426422364,0.896579209,0.220691285,0.829259943,0.137014256,0.512837261,0.624277392,0.285648678,6.543692858,6.260648813,13.87805277,0.743889914,1.422763331,5.388525399,0.827031419,0.201021486,0.839781757,0.128889788,0.505672588,0.531233263,0.236999161,6.416578304,5.705940273,13.01836677,0.759672635,1.273905012 +UMLRON0133,L,"1,5-hexadiene",C=CCCC=C,11598,,"Sandia, UML",[1],C6H10,PubChem,,71.1,0,-0.0056,3.14E-05,27.9392,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,803.11258,619.564683,443.973938,275.495641,84.835296,9.144576,0,2914.106344,3494.423905,4007.996657,3405.28699,2534.710644,1881.72051,1061.424631,279.7536999,0,125.864664,123.114164,212.027152,236.482284,167.677256,145.901476,123.32736,60.466176,0,22.06875486,27.30703172,34.75630082,31.51473972,23.38646077,18.37047215,12.01662072,4.001516144,0,2979.777961,2471.442353,4742.724499,5667.698821,3940.235805,3507.196353,3137.747111,1664.258868,0,32.5,38,54,54.25,38,31,24,9,0,48.76541633,50.97680359,26.77041933,18.22249068,18.49891408,13.11884005,4.713072,1.016064,0,161.8947969,205.5543474,133.5998886,100.1554997,105.6129435,89.60573856,58.96803508,31.08374443,0,6.992481333,7.242009647,7.067571733,6.955361294,6.986552333,6.947689333,6.85152,6.718464,0,1.226041937,1.606295984,1.158543361,0.926904109,0.974435865,0.874784388,0.66759004,0.444612905,0,165.54322,145.3789619,158.0908166,166.6970241,164.1764919,167.0093502,174.3192839,184.917652,0,1.805555556,2.235294118,1.8,1.595588235,1.583333333,1.476190476,1.333333333,1,0,0.039464444,-0.004186059,-0.0152022,-0.003379639,-0.004406006,0.002692398,-1.24E-04,0.0048733,0,484.264036,-53.80711511,-161.4213453,13.45177878,-80.71067267,-80.71067267,-2.74E-13,121.066009,0,900.5096538,-100.0566282,-300.1698846,25.01415705,-150.0849423,-150.0849423,-1.49E-13,225.1274134,0,0.094864,-0.010540444,-0.031621333,0.002635111,-0.015810667,-0.015810667,-6.81E-16,0.023716,0,4.025697139,-0.447299682,-1.341899046,0.111824921,-0.670949523,-0.670949523,-1.78E-15,1.006424285,0,21.86765075,-2.429738973,-7.289216918,0.607434743,-3.644608459,-3.644608459,-3.55E-14,5.466912688,0,3.111111111,-0.688271605,-0.518518519,-0.12654321,-0.759259259,0.12037037,-0.277777778,0.694444444,0,0.002192469,-2.46E-04,-5.07E-04,-9.94E-05,-1.84E-04,1.28E-04,-6.89E-06,5.41E-04,0,26.90355756,-3.165124418,-5.380711511,0.395640552,-3.362944694,-3.843365365,-1.52E-14,13.45177878,0,50.0283141,-5.885684011,-10.00566282,0.735710501,-6.253539262,-7.146902014,-8.29E-15,25.01415705,0,0.005270222,-6.20E-04,-0.001054044,7.75E-05,-6.59E-04,-7.53E-04,-3.78E-17,0.002635111,0,0.223649841,-0.026311746,-0.044729968,0.003288968,-0.02795623,-0.031949977,-9.87E-17,0.111824921,0,1.214869486,-0.142925822,-0.242973897,0.017865728,-0.151858686,-0.173552784,-1.97E-15,0.607434743,0,0.172839506,-0.040486565,-0.017283951,-0.003721859,-0.031635802,0.005731922,-0.015432099,0.077160494,0,-0.11231117,-0.231127546,-0.045337531,-0.083733706,0.05847719,-0.003142482,0.246971662,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-5.65E-16,0.5,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-1.66E-16,0.5,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-7.18E-15,0.5,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-4.41E-16,0.5,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-1.62E-15,0.5,0,-0.234243697,-0.1,-0.021533613,-0.183035714,0.033163265,-0.089285714,0.446428571,0,1.398348862,1.285837066,1.15119283,1.184761504,0.647024435,0.527256219,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.607142857,1.138392857,1.004464286,1.081473214,0.715561224,0.910714286,0,0,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,23.18733663,11.53811276,18.27367927,23.11326256,3.852210426,11.53813808,-0.111111111,1.11E-16,1.85E-17,-22.04208034,32.04937936,5.341563227,2.080366691,0,11.89,12.11007471,-0.160379043,0.061014257,5.123186858,6.731390504,5,17,16,16,4,1,1,0,0,1,13.118484,3.489144524,3.014912052,2.504383072,1.782561578,1.406975249,0.752169233,0.083923071,0.083923071,1.860497646,1.621651493,1.229175443,0.852171619,0.622414124,0.260696959,0.083923071,0.083923071,3.512714551,3.057830648,2.557249633,1.867645456,1.509042223,0.888243438,0.270913902,0.270913902,1.803408681,1.537703988,1.132347359,0.720700548,0.47943536,0.093646601,0.270913902,0.270913902,3.618949941,3.243979352,2.78443186,2.220702445,1.921270315,1.418282275,0.943918427,0.943918427,1.640660717,1.280475253,0.828427333,0.286568306,0.003665697,0.488360286,0.943918427,0.943918427,3.530218238,3.08934128,2.595977363,1.929323787,1.582344855,0.984772273,0.399277246,0.399277246,1.767495391,1.483314233,1.069004016,0.633028072,0.383319759,0.019847148,0.399277246,0.399277246,3.672201441,3.332552334,2.890842505,2.378633231,2.100399324,1.63963836,1.207644823,1.207644823,1.591633238,1.197304943,0.727877696,0.134833631,0.177407915,0.705843336,1.207644823,1.207644823,3.555702998,3.108286018,2.699018115,1.985426676,1.636728454,1.112316198,0.545454545,0.545454545,1.739053094,1.446146758,0.951716906,0.552227846,0.293108818,0.157502236,0.545454545,0.545454545,0,0,0,2,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.568914101,2.564043477,1.287901102,0.638071187,0.333333333,0.166666667,0,0,0.761485683,0.512808695,0.321975275,0.212690396,0.166666667,0.166666667,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,4,2,0,2,0,0,0,0,0,0,0,0,2,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.632638889,0,0,1.067361111,0.580555556,0,0.632638889,0,0,0,0,0,0,0,0,4.29,0,2.348888889,0,4.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.243402778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.145,0,1.174444444,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.290277778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.145,0,1.174444444,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.316319444,2.180555556,0.243402778,1.174444444,4.206555556,0.325555556,0.180555556,1.302222222,0.325555556,0.180555556,1.302222222,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.33333,0,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.27843,0.71307,5.31294,1.03452,0.17242,2.37132,0.39522,2.91421,0.54289,0.09048,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.879964949,2.419381946,2.419381946,2.419381946,2.067168057,16.52932501,33.83936908,43.54887502,43.54887502,43.54887502,37.20902502,0.220218789,0.450839031,0.580197952,0.580197952,0.580197952,0.49573267,3.251629167,2.289960053,1.750543056,1.750543056,1.750543056,2.102756945,0.220218789,0.450839031,0.580197952,0.580197952,0.580197952,0.49573267,6.73287657,13.50946582,14.05310377,14.05310377,14.05310377,9.826537102,23.69925001,18.09522171,18.48287501,18.48287501,18.48287501,14.25630834,6,5,5.333333333,6,2,6,2.12,0.911,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,2.708,4,3,2,1,0,0,0,0,0,21,1.945910149,1.945910149,1.945910149,1.609437912,1.098612289,0,0,0,0,0,3.433987204,1.428571429,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,109.6959078,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,84.09390038,4.671883355,10.83915043,1.806525072,0,0,0,35,3,3.238,18,1.206601879,2.097843914,2.887491234,3.725427145,5.026556965,5.882604122,7.071035322,0,0,0,71.99254604,64.09021887,64.02820865,86.60189387,75.59440584,30.59613447,7.184624434,0,0,0,272.517385,303.7935848,319.4037138,455.1590438,483.2688738,368.5398018,219.7942548,0,0,0,8.771769262,14.88349017,20.14238279,26.21287513,35.01877602,40.40810753,47.50649626,0,0,0,2.071063457,2.576665238,2.853515839,4.040910112,4.613843898,4.10032601,3.143873555,0,0,0,173.3259487,327.5113297,477.2467913,597.659443,832.2766368,1017.220929,1307.559249,0,0,0,2.79737052,3.930527396,4.784949357,6.313831549,7.665415219,8.102329929,7.071035322,0,0,0,0.429617678,0.545624105,0.611135712,0.862812819,0.997497345,0.907812933,0.724074017,0,0,0,342.0953544,128.3735828,9.913520876,121.266,-45.5058822,-7.20843462,220.8293544,173.8794651,17.1219555,0.738290648,0.277048532,0.021394794,0.261709352,-0.098208195,-0.015556832,158.5137668,59.48335722,4.593542461,56.18997802,-21.08566721,-3.340110029,0.15159456,0.235036811,3.390471574,2.387483809,463.3613545,0,1,0,332.6557461,18.23885265,6.928911429,452.927169,21.28208564,7.679674109,470.4422879,21.6896816,7.777418183,2.183080154,2.183080154,436.2946762,417.6496523,31.332388,1.044642738,13.92471829,13.32964638,3.654561202,4.621615124,8.038676515,0.7393652,4.942047935,4.005241387,2.320814575,13.75092568,6.357515497,1.50184847,3.751708282,4.329992448,8.220255228,0.176508506,1.850013214,3.973825637,0.587303073,0.002296819,0.861063281,5.72E-10,7.33E-41,1.81E-93,8.63E-168,7.93E-264,0,0,0,0,0,0,0,0,0,0,0.414759589,4.000763616,0.19112671,4.10498712,0.052500411,0.122650387,0.595776871,0.06570375,2.106309677,0.001243939,0.114828356,0.221839884,0.045528645,1.62E-05,0.006064539,4.03E-12,5.16E-43,1.28E-95,6.08E-170,5.59E-266,0,0,0,0,0,0,0,0,0,0,1.338875659,4.001062938,0.619380909,4.836819472,0.486449886,0.395489876,1.239955816,0.408251205,2.802558549,0.012956716,0.393414943,0.787191249,0.149449344,1.69E-04,0.063197173,4.20E-11,5.38E-42,1.33E-94,6.33E-169,5.82E-265,0,0,0,0,0,0,0,0,0,0,4.664890587,4.004749806,2.1881511,12.72275992,5.66975022,1.414342754,3.558499492,3.882187601,7.65077732,0.157266435,1.717041086,3.673198345,0.551777463,0.002046461,0.767191881,5.10E-10,6.53E-41,1.61E-93,7.69E-168,7.07E-264,0,0,0,0,0,0,0,0,0,0,1.97325237,4.001450927,0.915282246,5.706522814,1.037627392,0.585364163,1.682168605,0.800139212,3.444333934,0.028141813,0.607103592,1.234822485,0.22276722,3.66E-04,0.137272705,9.12E-11,1.17E-41,2.89E-94,1.38E-168,1.26E-264,0,0,0,0,0,0,0,0,0,0,5.968236847,4.007308397,2.814602736,18.05467747,9.246645613,1.829330998,4.467079069,6.200050735,10.55039526,0.25741854,2.372716492,5.167452749,0.721516394,0.003349517,1.255779872,8.34E-10,1.07E-40,2.64E-93,1.26E-167,1.16E-263,0,0,0,0,0,0,0,0,0,0,2.705154664,3.596567472,1.307680775,7.254260291,1.921347786,0.87568941,2.256575408,1.424120128,3.990495126,0.05251789,0.744920654,1.92793498,0.334920059,6.84E-04,0.256184117,1.70E-10,2.18E-41,5.39E-94,2.57E-168,2.36E-264,0,0,0,0,0,0,0,0,0,0,6.313394921,0.789171368,0.349690439,0.847178935,0.105896965,0.614133084,0.594373361,0.444444419,7.452256729,7.466050032,16.6605871,0.770768403,1.652950864,4.890783639,0.297066203,0.075387745,0.929234822,0.056441724,0.369258023,0.084884627,0.020656248,5.263237586,1.843986821,7.216754245,0.893852232,0.474798898,5.455559926,0.492753138,0.184331871,0.889593313,0.080349204,0.459036033,0.232945654,0.123495406,6.132644936,3.784707954,10.41288199,0.83438997,0.815477093,6.278153354,0.77700995,0.342899478,0.848621259,0.10502884,0.607316142,0.576329817,0.42734988,7.398062782,7.297399437,16.36819021,0.772931889,1.610995838,5.707413157,0.579869667,0.232892753,0.875346544,0.088934671,0.502227642,0.322135044,0.197134161,6.520175577,4.773818371,12.0647655,0.813019816,1.021496847,6.42373271,0.827239667,0.370951128,0.842796796,0.108534239,0.635723027,0.652619204,0.500130489,7.621923505,8.003722892,17.59686827,0.764195194,1.78847272,6.281949577,0.776025759,0.342806769,0.848822393,0.104857263,0.60799933,0.574523011,0.42711883,7.400782106,7.294476414,16.36642599,0.77323359,1.609641171 +UMLRON0134,L,3-hexene,CCC=CCC,11601, (trans) reported,UML,[1],C6H12,PubChem,,94,0,1.4468,2.09323024,29.5408,15.894344,0,0,14,6,8,0,6,0,0,0,0,0,0,0,0,0,873.713238,962.44143,1061.330262,637.682475,107.017344,5.08032,0,0,0,2789.771366,3458.994341,4439.054761,3448.257756,1228.730375,155.4187222,0,0,0,98.990808,102.184152,172.562136,210.406764,124.125696,33.59232,0,0,0,20.29030324,25.64175448,35.43933477,31.07415091,13.35448353,2.223064524,0,0,0,2240.107353,1985.746518,3580.562204,4864.438004,3074.156902,924.5882601,0,0,0,28.5,34.25,51,51,25,5,0,0,0,62.40808843,68.74581643,44.22209425,21.2560825,5.945408,1.016064,0,0,0,199.2693833,247.0710244,184.9606151,114.9419252,68.26279863,31.08374443,0,0,0,7.070772,7.298868,7.190089,7.0135588,6.895872,6.718464,0,0,0,1.449307374,1.831553891,1.476638949,1.03580503,0.741915752,0.444612905,0,0,0,160.0076681,141.839037,149.1900918,162.1479335,170.7864946,184.917652,0,0,0,2.035714286,2.446428571,2.125,1.7,1.388888889,1,0,0,0,0.042599657,1.89E-05,-0.021477086,-0.010919659,1.77E-04,0.010900741,0,0,0,415.0834594,2.63E-13,-192.7173204,-111.1830695,-14.82440927,111.1830695,0,0,0,771.8654175,2.13E-13,-358.3660867,-206.7496654,-27.56662205,206.7496654,0,0,0,0.081312,1.25E-15,-0.037752,-0.02178,-0.002904,0.02178,0,0,0,3.450597548,-5.55E-17,-1.602063147,-0.9242672,-0.123235627,0.9242672,0,0,0,18.74370065,2.89E-14,-8.702432443,-5.020634102,-0.66941788,5.020634102,0,0,0,2.714285714,0.321428571,-1.153061224,-0.959183673,-0.204081633,0.637755102,0,0,0,0.003042833,1.35E-06,-8.95E-04,-3.64E-04,9.85E-06,0.002180148,0,0,0,29.64881853,1.88E-14,-8.029888352,-3.706102316,-0.823578293,22.2366139,0,0,0,55.13324411,1.52E-14,-14.93192028,-6.891655513,-1.531479003,41.34993308,0,0,0,0.005808,8.92E-17,-0.001573,-7.26E-04,-1.61E-04,0.004356,0,0,0,0.246471253,-3.97E-18,-0.066752631,-0.030808907,-0.006846424,0.18485344,0,0,0,1.33883576,2.06E-15,-0.362601352,-0.16735447,-0.037189882,1.00412682,0,0,0,0.193877551,0.022959184,-0.048044218,-0.031972789,-0.011337868,0.12755102,0,0,0,4.44E-04,-0.294093919,-0.119621634,0.003236337,0.71648637,0,0,0,6.33E-16,-0.270833333,-0.125,-0.027777778,0.75,0,0,0,2.76E-16,-0.270833333,-0.125,-0.027777778,0.75,0,0,0,1.54E-14,-0.270833333,-0.125,-0.027777778,0.75,0,0,0,-1.61E-17,-0.270833333,-0.125,-0.027777778,0.75,0,0,0,1.54E-15,-0.270833333,-0.125,-0.027777778,0.75,0,0,0,0.118421053,-0.247807018,-0.164912281,-0.058479532,0.657894737,0,0,0,1.022176466,1.254065288,1.020847089,0.855690726,0.112823359,0,0,0,1.083333333,1.263888889,1.011111111,0.842592593,0,0,0,0,1.083333333,1.263888889,1.011111111,0.842592593,0,0,0,0,1.083333333,1.263888889,1.011111111,0.842592593,0,0,0,0,1.083333333,1.263888889,1.011111111,0.842592593,0,0,0,0,1.083333333,1.263888889,1.011111111,0.842592593,0,0,0,0,0.940789474,1.247258772,1.077631579,0.864766082,0,0,0,0,16.218912,7.691322909,11.69132291,16.218912,2.703152,7.693125513,-8.88E-16,2.22E-16,3.70E-17,-21.62619203,16.7261622,2.7876937,1.690184455,16.218912,7.691322909,11.69132291,16.218912,2.703152,7.693125513,-8.88E-16,2.22E-16,3.70E-17,-21.62619203,16.7261622,2.7876937,1.690184455,16.218912,7.691322909,11.69132291,16.218912,2.703152,7.693125513,-8.88E-16,2.22E-16,3.70E-17,-21.62619203,16.7261622,2.7876937,1.690184455,16.218912,7.691322909,11.69132291,16.218912,2.703152,7.693125513,-8.88E-16,2.22E-16,3.70E-17,-21.62619203,16.7261622,2.7876937,1.690184455,16.218912,7.691322909,11.69132291,16.218912,2.703152,7.693125513,-8.88E-16,2.22E-16,3.70E-17,-21.62619203,16.7261622,2.7876937,1.690184455,16.218912,7.691322909,11.69132291,16.218912,2.703152,7.693125513,-8.88E-16,2.22E-16,3.70E-17,-21.62619203,16.7261622,2.7876937,1.690184455,20.41925683,8.773303356,13.7601902,20.41925683,3.403209472,8.774152093,-0.111111111,3.33E-16,5.55E-17,-21.38291297,16.85211441,2.808685735,1.69468568,0,11.8,12.2000406,-0.275047159,0.125393045,6.507411101,6.916271118,6,14,12,12,4,2,2,0,0,2,8.745656,3.652770264,2.732532155,2.637748054,1.34343628,0.949935497,0.648139694,0.083923071,0.083923071,1.937045977,1.214178576,1.204666848,0.564841549,0.321114365,0.219176207,0.083923071,0.083923071,3.670755159,2.760499175,2.67597618,1.443083845,1.063332417,0.793869375,0.270913902,0.270913902,1.89277851,1.130709784,1.129630039,0.419295879,0.161222395,0.048396132,0.270913902,0.270913902,3.751607716,2.891173213,2.846919161,1.853556316,1.529944724,1.35179833,0.943918427,0.943918427,1.768132002,0.91865211,0.881335689,0.070778177,0.384695112,0.551157612,0.943918427,0.943918427,3.684093435,2.781531637,2.704336978,1.515242343,1.145577488,0.896535888,0.399277246,0.399277246,1.865103366,1.082564334,1.07710956,0.321525244,0.053265205,0.067913415,0.399277246,0.399277246,3.792163666,2.958935448,2.930904426,2.034410177,1.733502026,1.581442371,1.207644823,1.207644823,1.730827448,0.856931064,0.803313304,0.245578961,0.582287225,0.777716454,1.207644823,1.207644823,3.718129218,2.848492662,2.684878755,1.563843045,1.267843568,1.030236881,0.545454545,0.545454545,1.847451661,1.040795598,1.011512662,0.231058406,0.082038308,0.208083163,0.545454545,0.545454545,0,0,0,4,0,0,2,0,0,0,0,0,0.125,0,0,0,0,0.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,3.723614639,2.316496581,1.433654969,0.883276638,0.54203502,0.333333333,0,0,0.62060244,0.386082763,0.238942495,0.147212773,0.09033917,0.055555556,0,0,8.167311215,13.55134741,12.90196078,13.04,9.194217964,105.5984096,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,1.74498,26.974,21,27,42,7,21,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,36,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,2,2,0,4,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.534722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.532638889,0,0,0.667361111,0.667361111,0,1.532638889,0,0,0,0,0,0,0,0,0,0,2.465277778,0,8.534722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0,0.333680556,0.333680556,0,0.359722222,0,0,0,0,0,0,0,0,0,0,1.232638889,0,2.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0.333680556,0.333680556,0,0.406597222,0,0,0,0,0,0,0,0,0,0,1.232638889,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.406597222,2.180555556,0.333680556,1.232638889,3.577986111,0.267361111,0.180555556,1.069444444,0.267361111,0.180555556,1.069444444,3,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0,0,0,6,1,3,0.5,3,0.5,0,0,0,0,2.8424,0.47373,5,2.1576,0.3596,1.73246,0.28874,3,1.26754,0.21126,-0.086,-0.01433,0,0,0.428571429,6,0,0,0,0,0,0,0.333333333,0.985228136,2.235926351,2.521640636,2.521640636,2.521640636,2.521640636,13.7931939,31.30296891,35.30296891,35.30296891,35.30296891,35.30296891,0.258769712,0.587265016,0.662307741,0.662307741,0.662307741,0.662307741,2.822126786,1.571428571,1.285714286,1.285714286,1.285714286,1.285714286,0.246307034,0.558981588,0.630410159,0.630410159,0.630410159,0.630410159,6.75154531,15.47868105,15.76663106,15.76663106,15.76663106,15.76663106,22.55053414,18.56892228,18.10757661,18.10757661,18.10757661,18.10757661,4.166666667,2.222222222,1.333333333,0,4,0,2.12,0.7594,0,0,0,0,9.125465128,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.115,0.112,0.477,0.52,3.004,6,6,6,6,0,0,0,0,0,36,2.197224577,2.397895273,2.63905733,2.833213344,3.044522438,0,0,0,0,0,4.304065093,2.027777778,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,13,18,3,9.000420062,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,0,94.70299035,3.584962501,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,65.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921172722,80.06260026,5.718757161,11.8125,1.96875,0,0,0,27,3,2.454,24,1.202074622,2.08432327,2.82538533,3.807954152,4.566733754,0,0,0,0,0,89.81747552,99.59552426,59.62612621,21.56880863,4.640093765,0,0,0,0,0,313.7733332,404.1435963,333.0554811,251.8634589,141.9511849,0,0,0,0,0,8.796758583,15.01830624,19.87324445,26.22061776,30.68143632,0,0,0,0,0,2.29268377,3.18363317,3.00624455,2.760584134,2.03042876,0,0,0,0,0,169.0707394,308.8239098,453.4477042,653.4175147,844.4696831,0,0,0,0,0,3.027692968,4.532658881,4.910086631,5.194958705,4.566733754,0,0,0,0,0,0.472162689,0.664956169,0.643425958,0.609524369,0.467633536,0,0,0,0,0,198.6559935,71.80422764,9.164764411,47.70760426,-17.24391808,-3.290051553,150.9483892,89.04814572,12.45481596,0.806352867,0.29145632,0.037200157,0.193647133,-0.069993774,-0.013354455,48.94160526,17.68994785,2.257864333,11.75341703,-4.248273697,-0.810548937,0.169978361,0.231643218,4.478480987,2.170890318,246.3635977,0,1,0,489.9536316,22.13489624,7.883486477,568.2991694,23.83902618,8.283089241,714.3009316,26.72640888,8.93909883,1.21056403,1.019071054,166.5373105,88.56483118,84.63123913,1.880400022,1.967799506,1.046479197,2.907071034,3.413860202,4.857016775,0.422734526,2.55819661,0.463739155,10.79392988,4.513363313,6.672799583,2.461728473,4.676928847,3.924964194,0.12945522,1.11E-18,1.83E-57,5.85E-118,3.59E-200,4.26E-304,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.215020463,0.463654449,0.769188712,0.467834178,0.56002596,0.206595595,0.033889961,0.027643844,9.12E-04,7.81E-21,1.29E-59,4.12E-120,2.53E-202,3.00E-306,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.69331267,0.463660335,2.570496247,0.738165228,1.807766683,0.666915909,0.34570077,0.288070165,0.009501281,8.14E-20,1.35E-58,4.29E-119,2.64E-201,3.13E-305,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.414749045,0.463729935,10.09356514,4.069199924,6.298577594,2.323670718,4.167713511,3.497072433,0.11534227,9.88E-19,1.63E-57,5.21E-118,3.20E-200,3.80E-304,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.021645275,0.463667761,3.879769865,1.088662938,2.66430356,0.982911488,0.748570613,0.625726893,0.020638051,1.77E-19,2.92E-58,9.32E-119,5.73E-201,6.80E-305,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.089318375,0.463777874,13.48545809,6.381010273,8.058377857,2.972894353,6.817762643,5.724191402,0.188798272,1.62E-18,2.67E-57,8.52E-118,5.24E-200,6.22E-304,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.356398773,0.445819096,5.286818521,1.640669507,3.970342712,1.441599476,1.394100202,1.167757942,0.038515603,3.30E-19,5.46E-58,1.74E-118,1.07E-200,1.27E-304,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.818031904,1.701287095,0.235960958,0.484126863,0.453038685,0.54307121,0.485390492,0.285713345,3.755279957,3.923416098,8.408521932,0.405748322,1.314175047,1.085920388,1.018044265,0.041556948,0.506133514,0.474497327,0.193511999,0.175522221,0.00886217,2.145521601,1.192949373,3.384412804,0.470946262,0.37789639,1.34170336,1.257486193,0.109577879,0.495318773,0.464228187,0.295548995,0.266561371,0.061616559,2.708767432,1.971987128,4.865631447,0.439320439,0.623726925,1.79593141,1.680730921,0.230101912,0.484501115,0.453422665,0.529931095,0.473815214,0.271700685,3.706764243,3.818464102,8.219785778,0.40688567,1.275446994,1.469300623,1.376563493,0.143459517,0.491516076,0.460493296,0.354515728,0.318881683,0.105611191,2.989323634,2.430851892,5.71033468,0.428014059,0.779008603,1.888844707,1.767135874,0.254731914,0.482992475,0.451870567,0.586258994,0.523412161,0.332978949,3.910712495,4.269140172,9.030108374,0.402294564,1.442650103,1.795719687,1.682519969,0.230022372,0.484248328,0.453721974,0.52976962,0.475009349,0.271512855,3.708262028,3.821407167,8.22464366,0.406955454,1.276291824 +UMLRON0135,L,"1,3-cyclohexadiene",C1CC=CC=C1,11605,,UML,[1],C6H8,PubChem,,74.8,0,0.1504,0.02262016,29.2325,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1007.912141,841.551652,646.827051,450.070322,253.313593,67.647888,6.096384,3399.790734,4147.41404,5005.196641,4672.642312,3728.011456,2721.213111,1714.414766,791.2692929,186.5024666,146.842108,144.889944,255.155828,320.320912,270.87294,207.98804,145.10314,82.617408,40.310784,25.74688067,32.32302034,43.11292237,43.20797011,35.07566706,26.0541382,17.03260934,8.680011884,2.667677429,3476.407621,2904.481805,5635.131594,7637.816723,6528.696872,5049.741717,3570.786562,2060.036303,1109.505912,40,44.75,62,69.75,59.5,47.5,35,20,6,48.76541633,51.7541979,27.99755947,18.29460113,16.585309,15.00234407,12.06255205,5.637324,1.016064,161.8947969,207.370702,139.03324,101.5791807,95.59003733,90.70710369,81.63879838,65.93910774,31.08374443,6.992481333,7.2444972,7.087661889,6.963498087,6.94546,6.932934667,6.909673333,6.884784,6.718464,1.226041937,1.616151017,1.197581177,0.939303698,0.899376078,0.868471273,0.811076635,0.723334324,0.444612905,165.54322,145.2240902,156.5314332,166.039494,167.4024839,168.3247239,170.0374553,171.6696919,184.917652,1.904761905,2.2375,1.722222222,1.516304348,1.525641026,1.583333333,1.666666667,1.666666667,1,0.049280704,-0.007614202,-0.022845849,0.001606243,0.001311171,0.001858518,-0.001760597,-0.004526531,0.007330894,564.9747087,-53.80711511,-242.132018,-26.90355756,-2.74E-13,-2.45E-13,-1.88E-13,-40.35533633,80.71067267,1050.594596,-100.0566282,-450.2548269,-50.0283141,1.42E-13,1.42E-13,8.53E-14,-75.04247115,150.0849423,0.110674667,-0.010540444,-0.047432,-0.005270222,-4.45E-16,-4.52E-16,-4.59E-16,-0.007905333,0.015810667,4.696646663,-0.447299682,-2.01284857,-0.223649841,-2.36E-15,-2.58E-15,-2.14E-15,-0.335474762,0.670949523,25.51225921,-2.429738973,-10.93382538,-1.214869486,-2.44E-15,-6.00E-15,-6.00E-15,-1.822304229,3.644608459,5.285714286,-0.617346939,-1.275510204,-0.137755102,-0.102040816,0.020408163,0.285714286,-1.306122449,0.489795918,0.0023467,-3.81E-04,-6.35E-04,3.49E-05,3.36E-05,6.20E-05,-8.38E-05,-3.77E-04,0.001221816,26.90355756,-2.690355756,-6.725889389,-0.584859947,-7.01E-15,-8.17E-15,-8.97E-15,-3.362944694,13.45177878,50.0283141,-5.00283141,-12.50707852,-1.087572046,3.64E-15,4.74E-15,4.06E-15,-6.253539262,25.01415705,0.005270222,-5.27E-04,-0.001317556,-1.15E-04,-1.14E-17,-1.51E-17,-2.18E-17,-6.59E-04,0.002635111,0.223649841,-0.022364984,-0.05591246,-0.004861953,-6.05E-17,-8.60E-17,-1.02E-16,-0.02795623,0.111824921,1.214869486,-0.121486949,-0.303717372,-0.026410206,-6.26E-17,-2.00E-16,-2.85E-16,-0.151858686,0.607434743,0.25170068,-0.030867347,-0.035430839,-0.002994676,-0.002616431,6.80E-04,0.013605442,-0.108843537,0.081632653,-0.162232106,-0.270425217,0.01487976,0.014326402,0.02639903,-0.035725882,-0.160741002,0.520652665,-0.1,-0.25,-0.02173913,-2.61E-16,-3.04E-16,-3.33E-16,-0.125,0.5,-0.1,-0.25,-0.02173913,7.28E-17,9.47E-17,8.12E-17,-0.125,0.5,-0.1,-0.25,-0.02173913,-2.16E-15,-2.86E-15,-4.15E-15,-0.125,0.5,-0.1,-0.25,-0.02173913,-2.70E-16,-3.85E-16,-4.55E-16,-0.125,0.5,-0.1,-0.25,-0.02173913,-5.16E-17,-1.64E-16,-2.35E-16,-0.125,0.5,-0.122635135,-0.140765766,-0.011897767,-0.01039501,0.002702703,0.054054054,-0.432432432,0.324324324,1.459375918,1.231003764,0.783695987,0.823179415,0.89465579,1.13412299,1.381323553,0.185032401,1.5,1.369047619,0.931677019,0.879120879,0.857142857,0.816326531,0.892857143,0,1.5,1.369047619,0.931677019,0.879120879,0.857142857,0.816326531,0.892857143,0,1.5,1.369047619,0.931677019,0.879120879,0.857142857,0.816326531,0.892857143,0,1.5,1.369047619,0.931677019,0.879120879,0.857142857,0.816326531,0.892857143,0,1.5,1.369047619,0.931677019,0.879120879,0.857142857,0.816326531,0.892857143,0,1.466216216,0.880255255,0.750587544,0.836798337,0.993243243,1.216216216,2.207207207,0,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,42.78534791,21.17838824,35.24928014,42.47922546,6.06846078,21.17838824,-0.428571429,0.109241607,0.015605944,-1.549935292,26.71333668,3.816190954,2.299614059,0,11.79,12.21004853,-0.306948035,0.113272328,5.083969899,7.097648006,6,20,19,19,5,1,1,0,0,1,15.304898,3.482395983,3.187386785,2.701768563,2.117093876,1.572599551,1.19719882,0.911697442,0.083923071,1.891833234,1.671922331,1.364276662,1.02438691,0.730986775,0.549471752,0.349801862,0.083923071,3.50971322,3.220130596,2.748725212,2.185432383,1.666737283,1.315041477,1.039783756,0.270913902,1.831505689,1.60169185,1.273407245,0.907445372,0.59141731,0.395169899,0.188529248,0.270913902,3.630452655,3.36441836,2.952820655,2.476038034,2.053752126,1.782079744,1.541512282,0.943918427,1.654658222,1.393214783,0.992818311,0.531564342,0.125261353,0.134309087,0.369563056,0.943918427,3.529874442,3.244281326,2.783242904,2.235363736,1.734784458,1.399123447,1.130790711,0.399277246,1.793132834,1.556772728,1.214327728,0.830220437,0.497957939,0.290887368,0.07922127,0.399277246,3.689551591,3.434627323,3.049835198,2.609863663,2.224852491,1.980953912,1.75263536,1.207644823,1.599774711,1.327849611,0.901637584,0.404271541,0.039803444,0.328470623,0.576453602,1.207644823,3.598285894,3.296234897,2.843662279,2.280417167,1.778905648,1.453816466,1.259005162,0.538461538,1.845977493,1.497050444,1.092194267,0.732452928,0.422397407,0.212131938,0.061107734,0.538461538,0,0,1,1,0,1,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,5.112884175,3.023603362,1.78445705,1.011801681,0.538675135,0.24639964,0.102062073,0,0.730412025,0.503933894,0.35689141,0.25295042,0.179558378,0.12319982,0.102062073,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,5,1,0,2,0,0,0,0,0,0,0,0,1,1,4,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.614297052,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384550737,0.327152778,0,0,1.188296485,0.290277778,0,0.711703515,0,0,0,0,0,0,0,0,2.211397392,3.632491497,5.174305556,0,1.981805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.981805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384550737,0.327152778,0,0,0.212046485,0.290277778,0,0.327152778,0,0,0,0,0,0,0,0,2.211397392,3.632491497,1.188333333,0,1.981805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.632491497,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384550737,0.327152778,0,0,0.290277778,0.290277778,0,0.384550737,0,0,0,0,0,0,0,0,2.211397392,3.632491497,1.353194444,0,1.981805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13,1.857142857,0.384550737,3.632491497,0.212046485,1.188333333,5.159376803,0.311666667,0.632491497,1.687777778,0.311666667,0.632491497,1.687777778,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.28571,0,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.38519,0.76931,6.60412,1.21893,0.17413,2.84933,0.40705,3.41421,0.56488,0.0807,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.127387765,3.236857303,3.463280518,3.232101805,3.249367047,19.28421252,44.67514307,67.97400337,72.72889087,67.8741379,68.23670798,0.209068641,0.484342902,0.736936107,0.788485937,0.735853422,0.739784204,3.474021589,2.264929658,1.155460119,0.929036905,1.160215618,1.142950376,0.209068641,0.484342902,0.736936107,0.788485937,0.735853422,0.739784204,6.73287657,15.74885826,19.35589302,17.09520442,16.86221672,17.06939963,27.64912502,18.81705526,14.58757905,16.88179258,17.49723397,12.78821698,7,6,6,7,2,7,2.23,1.0519,0.166666667,3.838519496,0,0,5.676240019,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,3.16,5,4,3,2,1,0,0,0,0,28,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.666666667,5,0.833333333,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,0,126.9918924,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,98.10955045,4.671883355,12.83378878,1.833398397,0,0,0,56,4,3.957,22,1.2236,2.130702333,2.871729136,3.605464611,4.939731415,5.960982763,7.30073252,8.324651359,0,0,73.7959167,66.79834045,63.74485217,77.2616114,87.6814435,84.55329077,43.77081616,8.458378558,0,0,278.2003652,316.7502792,320.5922782,404.7643038,491.2507662,533.8705553,501.1212766,258.7613353,0,0,8.897867644,15.14862058,20.05013693,25.21914488,34.36249704,41.3402147,50.35805276,55.92887047,0,0,2.110244062,2.67720995,2.864193187,3.640788101,4.567018768,5.156846639,5.438541602,3.701247422,0,0,175.6104775,330.1411093,473.205228,590.1880374,822.898991,1002.016362,1245.820204,1539.374983,0,0,2.8102125,3.774214146,4.499008405,5.931093977,8.184286306,10.51946299,12.52642305,8.324651359,0,0,0.43759575,0.566400918,0.613278387,0.779929694,0.984305884,1.118169343,1.198603494,0.852444299,0,0,370.2788439,167.5843462,11.48802284,182.0876919,-82.41099191,-12.24010582,188.191152,249.9953381,23.72812866,0.670349885,0.303393373,0.020797826,0.329650115,-0.149196207,-0.022159391,204.5296423,92.56798479,6.345599379,100.5791476,-45.52107412,-6.76102485,0.125124026,0.22676275,2.488431769,5.676580613,552.3665359,0,1,0,393.1393776,19.82774263,7.32569526,529.3948196,23.00858143,8.089590956,577.678469,24.03494267,8.328409298,2.694131832,2.694131832,653.8070862,632.9279866,37.56688042,1.032988112,17.40381631,16.84803155,3.998211508,4.57798827,8.978772981,0.961292265,4.149594424,4.863396753,3.127175472,17.91865183,8.411702179,1.027370921,4.826716517,8.261226127,8.170984201,0.51026616,2.211261603,2.603453425,3.224991925,1.074168141,1.250211673,0.173173171,1.911882863,3.18E-12,1.02E-45,6.30E-101,7.52E-178,1.73E-276,0,0,0,0,0,0,0,0,0.348257413,4.863167147,0.206381407,4.933814538,0.062299116,0.084804326,0.536141596,0.237201379,2.806117479,0.022128907,0.06551718,0.146527405,0.109532539,0.663279687,0.104499291,0.014045995,0.013465547,2.24E-14,7.18E-48,4.44E-103,5.30E-180,1.22E-278,0,0,0,0,0,0,0,0,1.124191339,4.863182969,0.703164371,5.921299816,0.625219745,0.267518904,1.402967632,1.066256259,3.598483185,0.085070804,0.263447377,0.515878139,0.45975007,0.747021813,0.337614722,0.045663232,0.140321385,2.33E-13,7.48E-47,4.63E-102,5.52E-179,1.27E-277,0,0,0,0,0,0,0,0,3.916879296,4.863371714,2.913197394,16.5354162,7.496778618,0.966242018,4.560876677,7.483867487,7.735459316,0.46740045,1.994974689,2.406288257,2.933189533,1.04896822,1.179807049,0.16312586,1.70345321,2.83E-12,9.08E-46,5.62E-101,6.70E-178,1.54E-276,0,0,0,0,0,0,0,0,1.656845653,4.863203048,1.073708191,7.092955688,1.350543649,0.395821923,2.000680438,1.875531736,4.232300633,0.139174638,0.470599625,0.808666951,0.784997871,0.80454645,0.49786352,0.067624018,0.304796799,5.07E-13,1.62E-46,1.00E-101,1.20E-178,2.76E-277,0,0,0,0,0,0,0,0,5.011233796,4.863501933,3.959371922,23.70813621,12.25771314,1.257593306,5.814605532,11.46431849,9.905131275,0.683719013,3.108501765,3.386552859,4.42016928,1.16752391,1.511189118,0.210720891,2.788301473,4.64E-12,1.49E-45,9.19E-101,1.10E-177,2.52E-276,0,0,0,0,0,0,0,0,2.291910098,3.672436276,1.554861626,8.080118132,2.45268518,0.440310333,3.139009587,2.732834197,5.142708868,0.182898381,0.725879226,1.168495226,1.167868509,1.348609304,1.084276411,0.09858244,0.554332901,9.22E-13,2.96E-46,1.83E-101,2.18E-178,5.02E-277,0,0,0,0,0,0,0,0,7.136304388,0.797813871,0.39424315,0.85686776,0.095794819,0.51751526,0.573732509,0.476178631,8.328361409,8.821414402,19.39437657,0.785301641,1.5674264,6.418894019,0.29832868,0.084992606,0.943647581,0.043857577,0.418688369,0.080225794,0.022131145,6.802215305,2.485854444,9.450825506,0.915471372,0.521045308,6.703825881,0.496708235,0.207816884,0.904901223,0.067047071,0.456686652,0.222392391,0.132313223,7.408351001,4.826238086,12.92658721,0.857351835,0.811392266,7.118543304,0.78544805,0.386586978,0.858630486,0.094739838,0.514942273,0.556085646,0.457863508,8.290578331,8.646826084,19.09890729,0.787945729,1.528891427,6.830831848,0.58513406,0.26256472,0.889601433,0.07620391,0.474155844,0.30862054,0.21120993,7.678530628,5.944123388,14.6721127,0.834402149,0.993986314,7.191909608,0.836527948,0.418212581,0.851451107,0.099036652,0.525612062,0.630762339,0.535840797,8.446650137,9.373826978,20.33654161,0.77717666,1.692215198,7.178386256,0.784273606,0.386358287,0.859788077,0.093936028,0.523636293,0.554424678,0.457321957,8.349018149,8.706258496,19.23040382,0.789682115,1.535382929 +UMLRON0136,L,1-Heptene,CCCCCC=C,11610,,"Sandia, UML",[1],C7H14,PubChem,,54.5,0,0.6382,0.40729924,32.2248,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,996.821117,827.412436,643.778859,450.070322,264.404617,81.787104,9.144576,3399.790734,4147.41404,4921.543769,4495.738207,3634.760223,2721.213111,1798.067638,968.1733981,279.7536999,146.842108,144.889944,254.75666,299.766352,250.717548,207.98804,145.502308,103.171968,60.466176,25.74688067,32.32302034,42.44399096,41.20519999,33.74182834,26.0541382,17.70154074,10.682782,4.001516144,3476.407621,2904.481805,5666.926698,7114.858871,5973.943916,5049.741717,3538.991458,2582.994154,1664.258868,36.75,43.5,62.25,65.5,55,45,31.5,21,9,48.76541633,51.7541979,27.68947547,19.24214967,17.88274608,15.00234407,12.59069605,5.4524736,1.016064,161.8947969,207.370702,136.7095491,104.5520513,100.9655617,90.70710369,85.62226847,64.54489321,31.08374443,6.992481333,7.2444972,7.076573889,6.971310512,6.964376333,6.932934667,6.928681333,6.8781312,6.718464,1.226041937,1.616151017,1.178999749,0.958260465,0.93727301,0.868471273,0.842930512,0.712185467,0.444612905,165.54322,145.2240902,157.4146305,165.4618342,165.9428866,168.3247239,168.5234028,172.1996103,184.917652,1.75,2.175,1.729166667,1.523255814,1.527777778,1.5,1.5,1.4,1,0.044255737,-0.002724614,-0.022405807,-0.002754175,0.003623632,-4.83E-04,-0.002641926,-3.61E-04,0.005618788,564.9747087,-53.80711511,-201.7766817,-26.90355756,-40.35533633,-2.17E-13,-40.35533633,-40.35533633,121.066009,1050.594596,-100.0566282,-375.2123557,-50.0283141,-75.04247115,1.42E-13,-75.04247115,-75.04247115,225.1274134,0.110674667,-0.010540444,-0.039526667,-0.005270222,-0.007905333,-4.52E-16,-0.007905333,-0.007905333,0.023716,4.696646663,-0.447299682,-1.677373808,-0.223649841,-0.335474762,-2.58E-15,-0.335474762,-0.335474762,1.006424285,25.51225921,-2.429738973,-9.111521147,-1.214869486,-1.822304229,-4.22E-15,-1.822304229,-1.822304229,5.466912688,3.30952381,-0.366213152,-0.93537415,-0.419501134,0.017006803,0.022108844,-0.047619048,-0.542517007,0.617346939,0.002107416,-1.36E-04,-6.22E-04,-6.41E-05,1.01E-04,-1.61E-05,-1.26E-04,-2.41E-05,6.24E-04,26.90355756,-2.690355756,-5.604907824,-0.625664129,-1.120981565,-7.22E-15,-1.921682683,-2.690355756,13.45177878,50.0283141,-5.00283141,-10.42256544,-1.163449165,-2.084513087,4.74E-15,-3.573451007,-5.00283141,25.01415705,0.005270222,-5.27E-04,-0.001097963,-1.23E-04,-2.20E-04,-1.51E-17,-3.76E-04,-5.27E-04,0.002635111,0.223649841,-0.022364984,-0.046593717,-0.005201159,-0.009318743,-8.60E-17,-0.015974989,-0.022364984,0.111824921,1.214869486,-0.121486949,-0.25309781,-0.028252779,-0.050619562,-1.41E-16,-0.086776392,-0.121486949,0.607434743,0.157596372,-0.018310658,-0.025982615,-0.00975584,4.72E-04,7.37E-04,-0.002267574,-0.0361678,0.068594104,-0.064643464,-0.295330163,-0.030392941,0.047762965,-0.007632156,-0.059696803,-0.011427678,0.296244171,-0.1,-0.208333333,-0.023255814,-0.041666667,-2.69E-16,-0.071428571,-0.1,0.5,-0.1,-0.208333333,-0.023255814,-0.041666667,9.47E-17,-0.071428571,-0.1,0.5,-0.1,-0.208333333,-0.023255814,-0.041666667,-2.86E-15,-0.071428571,-0.1,0.5,-0.1,-0.208333333,-0.023255814,-0.041666667,-3.85E-16,-0.071428571,-0.1,0.5,-0.1,-0.208333333,-0.023255814,-0.041666667,-1.16E-16,-0.071428571,-0.1,0.5,-0.11618705,-0.164868106,-0.061903965,0.002997602,0.004676259,-0.014388489,-0.229496403,0.435251799,1.373421493,1.382359431,0.99691271,0.864383522,0.945994284,0.976337212,0.657527898,0.003972094,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.510791367,1.154076739,0.931069098,0.881294964,0.931654676,0.971223022,1.208633094,0,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,35.10544132,17.48129209,28.8982439,35.0034005,5.000485786,17.48129216,-0.142857143,0.183534832,0.026219262,-1.186745565,21.80287736,3.114696766,2.157429365,0,11.89,12.11009426,-0.181125901,0.043377598,5.108787686,7.182011159,6,20,19,19,5,1,1,0,0,1,15.304898,3.502283833,3.174689649,2.647819903,2.141038364,1.662474916,1.228701565,0.765585611,0.083923071,1.88576869,1.676171393,1.375066214,1.023999473,0.748879162,0.560297645,0.26494977,0.083923071,3.526963431,3.208895978,2.700440482,2.208289868,1.74963351,1.34416454,0.900259949,0.270913902,1.827582872,1.604059501,1.277307308,0.910722223,0.616382834,0.407774127,0.098421578,0.270913902,3.637664543,3.359069382,2.92737616,2.492296558,2.109936044,1.802986042,1.426157545,0.943918427,1.660172369,1.388928624,0.971477704,0.54629082,0.176901559,0.114680916,0.481032874,0.943918427,3.545264645,3.234096227,2.739031931,2.257297879,1.812739275,1.426624494,0.995885952,0.399277246,1.790839239,1.557850432,1.213420877,0.835927735,0.527882588,0.304750691,0.014671876,0.399277246,3.692798026,3.431805311,3.034124997,2.622330165,2.270371888,1.998904681,1.646285725,1.207644823,1.609287721,1.321097279,0.87075811,0.422403721,0.022514211,0.305789472,0.697164539,1.207644823,3.57945078,3.267745145,2.795034571,2.350257742,1.87579871,1.495487606,1.142447682,0.56,1.792098626,1.470765026,1.133083257,0.730219577,0.424809806,0.204442835,0.169196891,0.56,0,0,0,2,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,5.276020882,3.026038674,1.711264119,0.960046463,0.488641942,0.23570226,0.11785113,0,0.753717269,0.504339779,0.342252824,0.240011616,0.162880647,0.11785113,0.11785113,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,4,2,0,2,0,0,0,0,0,0,0,0,2,0,3,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.318611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.633472222,0,0,0.97625,0.580555556,0,0.633472222,0,0,0,0,0,0,0,0,4.276944444,0,3.904444444,0,4.318611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.106805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.216944444,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.065138889,0,1.256944444,0,2.106805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.211805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327152778,0,0,0.290277778,0.290277778,0,0.327152778,0,0,0,0,0,0,0,0,2.211805556,0,1.337638889,0,2.211805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.5,1.785714286,0.327152778,2.211805556,0.216944444,1.256944444,4.938793333,0.243055556,0.211805556,1.191111111,0.243055556,0.211805556,1.191111111,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.28571,0,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.52313,0.78902,6.60412,1.08099,0.15443,2.81066,0.40152,3.41421,0.60355,0.08622,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.058053137,3.368042423,3.653756708,3.653756708,3.290069569,19.28421252,43.21911587,70.72889087,76.72889087,76.72889087,69.09146095,0.209068641,0.468557469,0.766803056,0.831851698,0.831851698,0.749050957,3.474021589,2.334264286,1.024275,0.738560714,0.738560714,1.102247854,0.209068641,0.468557469,0.766803056,0.831851698,0.831851698,0.749050957,6.73287657,16.07411706,19.48810467,19.77605468,19.77605468,17.11042065,27.64912502,17.70101564,14.3059685,13.54772211,13.54772211,12.70318223,7,6,6,7,2,7,2.23,1.0519,0.166666667,3.838519496,0,0,5.676240019,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.207,5,4,3,2,1,0,0,0,0,28,2.079441542,2.079441542,1.945910149,1.791759469,1.609437912,1.098612289,0,0,0,0,3.663561646,1.357142857,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,0,126.9918924,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,98.10955045,4.671883355,12.83378878,1.833398397,0,0,0,56,4,3.912,22,1.211233302,2.106138433,2.894282671,3.675440915,4.994926759,6.023492489,7.337504255,8.219024558,0,0,73.49122161,66.47484007,67.93010185,84.09806598,88.4843336,88.76026748,42.29146714,8.351054969,0,0,276.4193692,311.8087738,334.3292935,434.2830289,495.657284,565.7081447,490.8246446,255.4780588,0,0,8.809350154,14.96071158,20.23583463,25.78359126,34.74167285,41.90076029,50.55051561,55.21922061,0,0,2.094508635,2.630656854,2.957281736,3.863228236,4.609682346,5.422125711,5.36341358,3.654284384,0,0,173.7477302,327.4416641,474.8500918,595.8687462,832.472101,1002.392642,1256.967967,1519.842723,0,0,2.730252055,3.772410538,4.560042302,6.042560288,7.78711894,9.463146634,10.47843094,8.219024558,0,0,0.434249571,0.556494159,0.632083305,0.825690081,0.993591217,1.17337795,1.183551947,0.841628115,0,0,345.3915396,149.0668577,10.07970751,102.4597065,-44.22038391,-6.675560137,242.9318332,193.2872416,16.75526765,0.771219334,0.332849041,0.02250682,0.228780666,-0.098738999,-0.014905753,154.6840314,66.75977797,4.514209569,45.88670721,-19.80415404,-2.989657926,0.131808696,0.210923682,1.880741525,1.870580833,447.8512461,0,1,0,394.95989,19.87359781,7.336985561,535.2211769,23.13484767,8.119159931,576.4161006,24.0086672,8.322338338,2.654571241,2.654571241,677.589581,654.5872867,38.81477358,1.035140148,17.45700203,16.86438504,4.06679998,4.666929306,9.0361841,0.936216194,5.742638188,4.913624927,2.666284879,20.26691277,8.317850508,2.509525162,3.603766994,6.827633933,9.955503498,1.183072501,1.903871711,3.805780863,3.768586889,2.862386838,1.111571516,0.733263664,1.754631451,9.08E-10,9.06E-41,1.74E-93,6.48E-168,4.64E-264,0,0,0,0,0,0,0,0,0.481947778,4.908064149,0.219855732,5.114496478,0.066356006,0.082504842,0.781120164,0.2066117,3.242405181,0.034027179,0.058840239,0.372986311,0.151919427,1.070269851,0.048678958,0.043419229,0.012358013,6.39E-12,6.38E-43,1.23E-95,4.56E-170,3.27E-266,0,0,0,0,0,0,0,0,1.555766845,4.908435861,0.712295591,6.206075018,0.630452748,0.349571416,1.357036955,0.908388814,4.123226585,0.152845489,0.254346867,1.070834439,0.598710617,1.398151866,0.186534787,0.152101365,0.128780021,6.66E-11,6.65E-42,1.28E-94,4.75E-169,3.40E-265,0,0,0,0,0,0,0,0,5.42058249,4.913014448,2.51406517,18.63128042,7.41640702,2.280165583,3.430879691,6.192452165,9.371375898,1.071788626,1.726851741,3.594616424,3.444072542,2.739257309,1.018517902,0.679665416,1.563345034,8.09E-10,8.07E-41,1.55E-93,5.77E-168,4.13E-264,0,0,0,0,0,0,0,0,2.29290997,4.908917687,1.052397327,7.549652499,1.350300777,0.600703124,1.752458702,1.58305054,4.873215179,0.268772079,0.442329455,1.550734028,0.991955631,1.634493982,0.30465587,0.236248254,0.279727415,1.45E-10,1.44E-41,2.78E-94,1.03E-168,7.39E-265,0,0,0,0,0,0,0,0,6.935065476,4.916191879,3.232668948,27.12681789,12.10545084,3.450459084,4.243989512,9.44040073,12.31487132,1.641591064,2.632041912,4.588775892,5.087184934,3.333514525,1.487880997,0.94461962,2.558965069,1.32E-09,1.32E-40,2.54E-93,9.44E-168,6.76E-264,0,0,0,0,0,0,0,0,3.233698512,4.516930048,1.519901501,9.677537802,2.638134779,0.918232913,2.325013987,2.464611516,6.253776057,0.423423286,0.778330736,2.350821792,1.463622155,2.290990393,0.515219724,0.385996032,0.550252423,2.85E-10,2.84E-41,5.47E-94,2.03E-168,1.45E-264,0,0,0,0,0,0,0,0,7.927128801,0.816752681,0.373564448,0.869446209,0.089581302,0.561651972,0.557085231,0.47617324,9.117445931,9.740906963,21.2769973,0.804169314,1.594910444,6.610490325,0.316495095,0.080534605,0.943342338,0.045165065,0.390637862,0.083573248,0.022130895,7.007520025,2.650049795,9.826063334,0.915013507,0.496342005,7.133381607,0.515215954,0.196916547,0.909230614,0.065670133,0.454844985,0.221583138,0.132311725,7.845514109,5.181367434,13.75059554,0.86384592,0.808739848,7.894529268,0.804370987,0.366309855,0.870860043,0.088731643,0.557043563,0.540317258,0.457858325,9.06521011,9.536623189,20.92794861,0.806290065,1.555219146,7.366471301,0.603778493,0.248792769,0.896268786,0.073460928,0.485041528,0.304357733,0.211207539,8.219042563,6.430657458,15.75625984,0.844403179,1.0006068,8.029190179,0.855515517,0.396276643,0.865122881,0.092179414,0.576202666,0.611235858,0.535834731,9.280982339,10.38989813,22.39294308,0.797684321,1.723273255,7.916127961,0.804255946,0.36645509,0.871164105,0.08850778,0.560099159,0.540150206,0.458221462,9.086838997,9.562222054,20.98213146,0.806746157,1.558470827 +UMLRON0137,L,2-heptene,CCCCC=CC,11611, (trans) reported,UML,[1],C7H14,PubChem,,73.4,0,0.25,0.0625,32.391,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,996.821117,816.321412,629.639643,458.113154,278.543833,84.835296,9.144576,3399.790734,4147.41404,4921.543769,4412.085335,3457.856117,2711.614749,1974.971743,1061.424631,279.7536999,146.842108,144.889944,254.75666,299.367184,230.162988,188.231816,166.056868,123.32736,60.466176,25.74688067,32.32302034,42.44399096,40.53626858,31.73905822,25.38923089,19.70431086,12.01662072,4.001516144,3476.407621,2904.481805,5666.926698,7146.653976,5450.986064,4463.193657,4061.94931,3137.747111,1664.258868,36.75,43.25,63,67.25,51.75,40.5,34,24,9,48.76541633,51.7541979,27.68947547,18.98421888,19.07998918,16.96715385,11.60599304,4.713072,1.016064,161.8947969,207.370702,136.7095491,102.6066357,104.7835187,100.4301759,82.29048929,58.96803508,31.08374443,6.992481333,7.2444972,7.076573889,6.962027535,6.974636,6.971548741,6.919036167,6.85152,6.718464,1.226041937,1.616151017,1.178999749,0.942703921,0.961789643,0.940341885,0.821012953,0.66759004,0.444612905,165.54322,145.2240902,157.4146305,166.2012552,165.1813959,165.3034688,169.2478879,174.3192839,184.917652,1.75,2.1625,1.75,1.563953488,1.568181818,1.5,1.416666667,1.333333333,1,0.04378992,-0.00432406,-0.018952206,-1.71E-04,-0.003470449,-8.67E-04,0.00196673,-8.91E-04,0.004814006,564.9747087,-53.80711511,-201.7766817,13.45177878,-40.35533633,-80.71067267,-40.35533633,-2.74E-13,121.066009,1050.594596,-100.0566282,-375.2123557,25.01415705,-75.04247115,-150.0849423,-75.04247115,8.53E-14,225.1274134,0.110674667,-0.010540444,-0.039526667,0.002635111,-0.007905333,-0.015810667,-0.007905333,-6.81E-16,0.023716,4.696646663,-0.447299682,-1.677373808,0.111824921,-0.335474762,-0.670949523,-0.335474762,-3.25E-15,1.006424285,25.51225921,-2.429738973,-9.111521147,0.607434743,-1.822304229,-3.644608459,-1.822304229,-8.66E-15,5.466912688,3.30952381,-0.616213152,-0.816326531,0.068594104,-0.43877551,-0.421768707,0.289115646,-0.336734694,0.617346939,0.002085234,-2.16E-04,-5.26E-04,-3.97E-06,-1.05E-04,-3.21E-05,8.19E-05,-4.95E-05,5.35E-04,26.90355756,-2.690355756,-5.604907824,0.312832065,-1.22288898,-2.989284173,-1.681472347,-1.52E-14,13.45177878,50.0283141,-5.00283141,-10.42256544,0.581724583,-2.274014277,-5.558701566,-3.126769631,4.74E-15,25.01415705,0.005270222,-5.27E-04,-0.001097963,6.13E-05,-2.40E-04,-5.86E-04,-3.29E-04,-3.78E-17,0.002635111,0.223649841,-0.022364984,-0.046593717,0.00260058,-0.010165902,-0.024849982,-0.013978115,-1.80E-16,0.111824921,1.214869486,-0.121486949,-0.25309781,0.014126389,-0.05522134,-0.134985498,-0.075929343,-4.81E-16,0.607434743,0.157596372,-0.030810658,-0.022675737,0.001595212,-0.013296228,-0.015621063,0.012046485,-0.018707483,0.068594104,-0.103682831,-0.252465715,-0.001905311,-0.050433247,-0.015405572,0.039298749,-0.023732655,0.256512905,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,-5.65E-16,0.5,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,9.47E-17,0.5,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,-7.18E-15,0.5,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,-8.07E-16,0.5,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,-3.96E-16,0.5,-0.195503597,-0.143884892,0.010122135,-0.084368869,-0.099120703,0.076438849,-0.118705036,0.435251799,1.41336428,1.315405048,1.048229969,1.169634258,0.936844601,0.627285096,0.575361235,1.83E-05,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.586330935,1.175059952,0.966203781,1.052975801,0.923261391,0.692446043,1.007194245,0,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,33.17168758,16.51441522,26.3014442,33.06964677,4.724235253,16.51441542,-0.142857143,0.116346709,0.016620958,-1.505826475,25.42955888,3.632794125,2.265138563,0,11.89,12.11009426,-0.160379045,0.06103321,5.129862217,7.044812138,6,20,19,19,5,1,1,0,0,1,15.304898,3.512714711,3.139583825,2.695830913,2.127646664,1.603892564,1.293866965,0.750445195,0.083923071,1.881411882,1.688132795,1.36461443,1.024195326,0.737504923,0.580196965,0.260463024,0.083923071,3.536210819,3.177688002,2.74371253,2.195568475,1.695912636,1.404117954,0.886838218,0.270913902,1.824885,1.610768069,1.273564199,0.909034399,0.600543781,0.431493138,0.093362734,0.270913902,3.641919659,3.343968271,2.950852102,2.483468626,2.074126321,1.844897189,1.417618328,0.943918427,1.663488105,1.376801627,0.991273819,0.538339161,0.144047724,0.075582297,0.488946631,0.943918427,3.553648911,3.205711777,2.778854815,2.24513635,1.762410262,1.483022975,0.983553245,0.399277246,1.789305984,1.560910539,1.214285564,0.832954886,0.508909607,0.331203095,0.020172058,0.399277246,3.694803858,3.423801707,3.048807729,2.615655102,2.241467126,2.034313152,1.639142064,1.207644823,1.614766388,1.302097472,0.899047957,0.41249167,0.017322926,0.259974192,0.70662939,1.207644823,3.585030126,3.220752873,2.875375255,2.31583412,1.831438012,1.551166707,1.128381486,0.56,1.765443383,1.521948933,1.105288947,0.730438526,0.411032046,0.227901289,0.174074546,0.56,0,0,0,2,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,5.276020882,3.064043477,1.668327946,0.857710728,0.451184464,0.23570226,0.11785113,0,0.753717269,0.510673913,0.333665589,0.214427682,0.150394821,0.11785113,0.11785113,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,2,0,3,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.447916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.607013889,0,0,1.292986111,0.580555556,0,0.607013889,0,0,0,0,0,0,0,0,4.353333333,0,3.69875,0,4.447916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.211805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.225625,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.158888889,0,1.180555556,0,2.211805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.290277778,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.194444444,0,1.274305556,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.5,1.785714286,0.306319444,2.236111111,0.225625,1.180555556,4.908854167,0.319444444,0.236111111,1.6025,0.319444444,0.236111111,1.6025,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.28571,0,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.49934,0.78562,6.60412,1.10478,0.15783,2.87132,0.41019,3.41421,0.54289,0.07756,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.962815041,2.987090042,3.463280518,3.232101805,2.624632976,19.28421252,41.21911587,62.72889087,72.72889087,67.8741379,55.1172925,0.209068641,0.446874589,0.680071533,0.788485937,0.735853422,0.597550842,3.474021589,2.429502381,1.405227381,0.929036905,1.160215618,1.767684446,0.209068641,0.446874589,0.680071533,0.788485937,0.735853422,0.597550842,6.73287657,14.93125992,18.05729752,18.5372142,17.2573527,13.9508934,27.64912502,19.06805416,16.36502553,15.14260039,16.89724055,17.32556464,7,6,6,7,2,7,2.23,1.0519,0.166666667,3.838519496,0,0,5.676240019,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.207,5,4,3,2,1,0,0,0,0,28,2.079441542,2.079441542,2.079441542,1.945910149,1.609437912,1.098612289,0,0,0,0,3.713572067,1.428571429,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,0,126.9918924,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,98.10955045,4.671883355,12.83378878,1.833398397,0,0,0,56,4,3.807,22,1.211422317,2.106461999,2.886383982,3.689916693,5.04375108,5.985449854,7.225199526,8.220566723,0,0,73.5066391,66.40465938,66.8587127,89.78841271,99.84277315,81.27132409,36.3775118,8.352621907,0,0,276.4717317,311.6637717,327.6625076,452.1982024,550.7370406,538.8904643,443.5890657,255.5259951,0,0,8.810737505,14.96272081,20.15456873,25.92548881,35.27682572,41.5695081,49.58726279,55.22958159,0,0,2.094885549,2.62999547,2.904267103,3.980084936,5.023086521,5.23547689,4.963676101,3.65497005,0,0,173.7740571,327.5105823,475.6185231,595.2606003,825.3413776,1001.058075,1252.827504,1520.127897,0,0,2.713374016,3.823356992,4.687023028,6.225095923,7.823098436,8.838198378,9.843194643,8.220566723,0,0,0.434326974,0.556373766,0.621143116,0.849071152,1.078142826,1.135550367,1.100096559,0.841786032,0,0,350.3690005,149.9739821,9.94724686,101.9879767,-43.65552594,-6.5815862,248.3810238,193.629508,16.52883306,0.774540945,0.331539005,0.021989816,0.225459055,-0.096506804,-0.014549541,158.491862,67.84177719,4.499706521,46.13497284,-19.74788175,-2.977226438,0.132918988,0.206030955,2.158283149,1.632807719,452.3569772,0,1,0,394.76085,19.86858953,7.335752863,534.9889878,23.12982896,8.11798568,577.186304,24.02470196,8.32604344,2.637302947,2.637302947,681.251504,659.6564769,37.42351304,1.032736777,18.20383627,17.62679191,4.050971912,4.649262709,9.267247064,0.993272405,5.728361853,4.941817656,2.68841746,18.73997769,8.393631294,1.602047449,4.480593623,5.659587055,10.02586926,0.093672682,1.396101263,7.043797307,1.951736095,4.751448617,0.002383695,3.695949215,7.91E-04,0.004438704,4.80E-24,1.00E-66,4.04E-131,3.13E-217,0,0,0,0,0,0,0,0,0.480749584,4.936508913,0.22163398,5.11586674,0.065714726,0.132794804,0.706412267,0.066781979,3.141846681,6.64E-04,0.076812455,0.504084315,0.044181437,1.119212738,1.69E-05,0.078967213,5.57E-06,3.13E-05,3.38E-26,7.06E-69,2.84E-133,2.21E-219,0,0,0,0,0,0,0,0,1.551899123,4.936863785,0.718088169,6.1104968,0.6329958,0.427229606,1.476490116,0.484547039,3.981431934,0.006886779,0.271242066,1.602047333,0.221440302,1.615677221,1.75E-04,0.407265457,5.81E-05,3.26E-04,3.53E-25,7.36E-68,2.96E-132,2.30E-218,0,0,0,0,0,0,0,0,5.40710679,4.941234848,2.534901997,17.27397095,7.483117272,1.510165401,4.249430206,5.061126909,9.404347138,0.083463818,1.288850463,6.559622133,1.759918162,4.442429731,0.0021239,3.329474019,7.05E-04,0.003954805,4.28E-24,8.93E-67,3.60E-131,2.79E-217,0,0,0,0,0,0,0,0,2.287209702,4.937323775,1.060987311,7.323680907,1.358716057,0.630974316,2.005217362,0.986254425,4.725716422,0.014947765,0.426940974,2.426114488,0.406103907,2.029215932,3.80E-04,0.75437085,1.26E-04,7.08E-04,7.66E-25,1.60E-67,6.44E-132,5.00E-218,0,0,0,0,0,0,0,0,6.917824753,4.944268252,3.259655531,24.88547076,12.21980255,1.944442878,5.336613446,8.166166845,12.55426989,0.136597906,1.823274301,8.93164981,2.747152488,5.99399785,0.003476061,5.217530923,0.00115381,0.006473432,7.01E-24,1.46E-66,5.89E-131,4.57E-217,0,0,0,0,0,0,0,0,3.223524143,4.452919942,1.554663132,9.463696618,2.657932113,0.858173564,2.873841842,1.884386718,5.594527913,0.029393151,0.611359014,3.471941962,0.674138322,3.004494646,7.48E-04,1.374981499,2.48E-04,0.001391977,1.51E-24,3.14E-67,1.27E-131,9.83E-218,0,0,0,0,0,0,0,0,8.239461867,0.797810433,0.373942599,0.875493967,0.084772311,0.602327525,0.614692331,0.476182424,9.411214898,9.952949726,21.82228701,0.813240951,1.69320228,6.645077198,0.301648653,0.080616128,0.945603219,0.042925,0.391783087,0.087861399,0.022131321,7.027341979,2.564496726,9.753432007,0.918404829,0.501775807,7.27831411,0.498708933,0.197115881,0.912739818,0.062540788,0.470005006,0.240169978,0.132314277,7.974138925,5.162735016,13.85235733,0.869109727,0.842489261,8.199989309,0.78552695,0.366680662,0.876798187,0.083993842,0.596570539,0.595908188,0.457867155,9.352196921,9.736127643,21.45022933,0.815197281,1.650345881,7.560574285,0.586546391,0.249044616,0.900479448,0.069858843,0.507164204,0.332231069,0.211211612,8.396165293,6.463624106,15.96420952,0.850719171,1.050606885,8.363039929,0.836266712,0.396677785,0.871514538,0.087147569,0.620529869,0.675385381,0.535845065,9.595984427,10.64289249,23.01313499,0.807271806,1.831760315,8.209047176,0.785312854,0.366826044,0.876923833,0.083890316,0.597886515,0.595598242,0.458230299,9.361186074,9.746035777,21.4720284,0.81538575,1.651715056 +UMLRON0138,L,3-heptene,CCCC=CCC,11612, (trans) reported,UML,[1],C7H14,PubChem,,89.8,0,0.6446,0.41550916,17.4389,12.374344,0,0,12,4,8,0,4,0,0,0,0,0,0,0,0,0,585.184996,673.913188,463.107794,132.247584,12.192768,0,0,0,0,1942.737562,2611.960538,2608.765155,1489.287352,373.0049332,0,0,0,0,83.909776,87.10312,148.3202,145.079424,80.621568,0,0,0,0,14.71250324,20.06395448,23.39048486,16.02618505,5.335354858,0,0,0,0,1986.518641,1732.157806,3321.89264,3565.319649,2219.011824,0,0,0,0,18.27777778,22.25,31.33333333,28,12,0,0,0,0,48.76541633,56.15943233,22.0527521,6.297504,1.016064,0,0,0,0,161.8947969,217.6633782,124.2269121,70.91844535,31.08374443,0,0,0,0,6.992481333,7.258593333,7.062866667,6.908544,6.718464,0,0,0,0,1.226041937,1.671996207,1.113832613,0.763151669,0.444612905,0,0,0,0,165.54322,144.3464838,158.1853638,169.7771262,184.917652,0,0,0,0,1.523148148,1.854166667,1.492063492,1.333333333,1,0,0,0,0,0.01609244,-0.001397082,-0.008526309,-0.005528953,0.007406123,0,0,0,0,322.8426907,-1.35E-13,-201.7766817,-121.066009,161.4213453,0,0,0,0,600.3397692,0,-375.2123557,-225.1274134,300.1698846,0,0,0,0,0.063242667,9.07E-16,-0.039526667,-0.023716,0.031621333,0,0,0,0,2.683798093,-1.11E-15,-1.677373808,-1.006424285,1.341899046,0,0,0,0,14.57843384,4.40E-14,-9.111521147,-5.466912688,7.289216918,0,0,0,0,1.157407407,-0.444444444,-0.020833333,-0.56712963,0.453703704,0,0,0,0,0.001341037,-1.16E-04,-4.06E-04,-2.63E-04,6.17E-04,0,0,0,0,26.90355756,-1.13E-14,-9.608413413,-5.765048048,13.45177878,0,0,0,0,50.0283141,0,-17.86725503,-10.72035302,25.01415705,0,0,0,0,0.005270222,7.56E-17,-0.001882222,-0.001129333,0.002635111,0,0,0,0,0.223649841,-9.25E-17,-0.079874943,-0.047924966,0.111824921,0,0,0,0,1.214869486,3.66E-15,-0.433881959,-0.260329176,0.607434743,0,0,0,0,0.096450617,-0.037037037,-9.92E-04,-0.027006173,0.037808642,0,0,0,0,-0.086816021,-0.302761823,-0.196328311,0.460223754,0,0,0,0,-4.18E-16,-0.357142857,-0.214285714,0.5,0,0,0,0,0,-0.357142857,-0.214285714,0.5,0,0,0,0,1.43E-14,-0.357142857,-0.214285714,0.5,0,0,0,0,-4.14E-16,-0.357142857,-0.214285714,0.5,0,0,0,0,3.02E-15,-0.357142857,-0.214285714,0.5,0,0,0,0,-0.384,-0.010285714,-0.28,0.392,0,0,0,0,1.457708929,1.267407974,1.040104314,0.004144567,0,0,0,0,1.375,1.375,0.982142857,0,0,0,0,0,1.375,1.375,0.982142857,0,0,0,0,0,1.375,1.375,0.982142857,0,0,0,0,0,1.375,1.375,0.982142857,0,0,0,0,0,1.375,1.375,0.982142857,0,0,0,0,0,1.826,0.854857143,1.244571429,0,0,0,0,0,8.199295459,4.09964773,6.482832401,8.199295459,2.049823865,4.131441996,-1.78E-15,0.10541112,0.02635278,-0.899954859,16.95471773,4.238679432,1.132218451,8.199295459,4.09964773,6.482832401,8.199295459,2.049823865,4.131441996,-1.78E-15,0.10541112,0.02635278,-0.899954859,16.95471773,4.238679432,1.132218451,8.199295459,4.09964773,6.482832401,8.199295459,2.049823865,4.131441996,-1.78E-15,0.10541112,0.02635278,-0.899954859,16.95471773,4.238679432,1.132218451,8.199295459,4.09964773,6.482832401,8.199295459,2.049823865,4.131441996,-1.78E-15,0.10541112,0.02635278,-0.899954859,16.95471773,4.238679432,1.132218451,8.199295459,4.09964773,6.482832401,8.199295459,2.049823865,4.131441996,-1.78E-15,0.10541112,0.02635278,-0.899954859,16.95471773,4.238679432,1.132218451,8.199295459,4.09964773,6.482832401,8.199295459,2.049823865,4.131441996,-1.78E-15,0.10541112,0.02635278,-0.899954859,16.95471773,4.238679432,1.132218451,9.233860789,4.571791506,7.183784377,9.188721901,2.297180475,4.590215974,-0.090277778,0.056057046,0.014014261,-1.152554172,10.32066381,2.580165954,0.933659232,0,11.9,12.10004039,-0.149968906,0.05007066,4.933495331,5.997504729,4,12,12,12,4,0,0,0,0,0,8.745656,3.655766806,2.44126965,1.456797487,1.048635851,0.083923071,0.083923071,0.083923071,0.083923071,1.609084769,1.372874417,0.944510797,0.340307529,0.083923071,0.083923071,0.083923071,0.083923071,3.679464424,2.504797867,1.556142907,1.161811883,0.270913902,0.270913902,0.270913902,0.270913902,1.532051243,1.285229005,0.8242471,0.177034125,0.270913902,0.270913902,0.270913902,0.270913902,3.78376187,2.773435551,1.9628467,1.619577835,0.943918427,0.943918427,0.943918427,0.943918427,1.304234134,1.018928274,0.432252462,0.39146662,0.943918427,0.943918427,0.943918427,0.943918427,3.696923778,2.551095198,1.62787375,1.243233128,0.399277246,0.399277246,0.399277246,0.399277246,1.482803942,1.228596505,0.744460974,0.066155451,0.399277246,0.399277246,0.399277246,0.399277246,3.834691516,2.896868808,2.141548494,1.817637207,1.207644823,1.207644823,1.207644823,1.207644823,1.233507639,0.933903671,0.296913179,0.604157756,1.207644823,1.207644823,1.207644823,1.207644823,3.69204087,2.747143852,1.744477468,1.36150057,0.631578947,0.631578947,0.631578947,0.631578947,1.380144269,1.1655301,0.586754488,0.113581886,0.631578947,0.631578947,0.631578947,0.631578947,0,0,0,0,0,1,2,1,0,0.288675135,0.288675135,0,0,0,0.288675135,0.288675135,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0,0,0,0,0,0,2.991563832,1.89384685,1.682521985,0.577350269,0,0,0,0,0.747890958,0.473461713,0.336504397,0.288675135,0,0,0,0,2.991563832,1.89384685,1.682521985,0.577350269,0,0,0,0,0.747890958,0.473461713,0.336504397,0.288675135,0,0,0,0,6.167311215,11.55134741,10.90196078,11.04,7.194217964,92.11302036,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.4163,18.398,6.597721372,10.29310485,13.19544274,3.298860686,6.59985401,0.060873882,0.01521847,-1.119580428,9.384565373,2.346141343,0.895626543,13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,1,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.8,0,0,0,0,0,0,0,0,0,0,0,2.277777778,0,2.972222222,0,0,0,1.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.277777778,0,1.486111111,0,0,0,1.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.277777778,0,1.486111111,0,0,0,1.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.333333333,1.583333333,0.2,2.277777778,0.2,1.083333333,2.877027778,0.25,0.277777778,0.555555556,0.25,0.277777778,0.555555556,2,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,2,0.5,2,0.5,0,0,-2,-0.5,0,0,2.60095,0.65024,2.60095,0,0,1.89384,0.47346,1.89384,0,0,0.02016,0.00504,0.10616,0.02654,0.25,4,0,0,0,0,0,0,1,0.918295834,1.418295834,2.355388542,2.355388542,2.056641667,1.028320834,11.01955001,17.01955001,28.26466251,28.26466251,24.67970001,12.33985,0.256152145,0.395623618,0.657019018,0.657019018,0.573685685,0.286842842,2.666666667,2.166666667,1.229573959,1.229573959,1.528320834,2.556641667,0.256152145,0.395623618,0.657019018,0.657019018,0.573685685,0.286842842,6.73287657,12.73287657,13.67730206,13.67730206,10.09233956,1.036367477,15.79950001,11.87468751,12.66691771,12.66691771,10.87443646,3.613283334,2.25,0.48,0.444444444,0,0,0,1.9,0.5636,0,1,1,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,1.898,5,2,0,0,0,0,0,0,0,15,1.609437912,1.791759469,1.098612289,0,0,0,0,0,0,0,2.772588722,1,0.5,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,0,1,2,1,1,0.5,0,0,0,0,0,0,0,0,0.25,0.25,0,0,0,0,0,0,0,0,0.5,4.09964773,6.482832401,8.199295459,2.049823865,4.131441996,0.10541112,0.02635278,-0.899954859,16.95471773,4.238679432,1.132218451,0,65.3839385,3,2.944438979,3.663561646,4.442651256,5.198497031,5.978885765,6.746412129,7.524561226,8.296297113,9.072800958,61.8681061,2.197224577,1.945910149,3.36729583,3.713572067,4.762173935,5.351858133,6.248042875,6.940222469,7.770223204,8.373091847,56.06260026,4.671883355,7.175868588,1.793967147,0,0,0,8,0,2.215,18,1.215072745,2.120628979,2.893722488,3.479644668,0,0,0,0,0,0,78.71764966,52.56488253,18.93874243,3.53554168,0,0,0,0,0,0,288.9626509,281.3047528,210.6149847,108.1603856,0,0,0,0,0,0,8.853252993,15.02346118,20.01716059,23.37786744,0,0,0,0,0,0,2.164450208,2.475034551,2.251503813,1.547094924,0,0,0,0,0,0,173.3036923,332.085644,489.2366953,643.4477219,0,0,0,0,0,0,2.302776167,3.257444419,3.907483155,3.479644668,0,0,0,0,0,0,0.447811544,0.527022785,0.494801871,0.356315614,0,0,0,0,0,0,217.9464195,44.83211426,5.550102673,76.82905552,-15.80392558,-4.143102786,141.117364,60.63603984,9.693205459,0.739364153,0.152089024,0.018828238,0.260635847,-0.053613434,-0.014055114,64.24525936,13.21540778,1.636034152,22.64732134,-4.658609671,-1.221285092,0.144059459,0.302948283,3.336674146,8.546001518,294.7754751,0,1,0,273.2724995,16.5309558,6.48931182,353.2071057,18.79380498,7.068758492,318.7868406,17.85460279,6.831249202,1.37951954,1.147135927,84.76617534,74.00468405,31.58297694,1.145416354,2.683919743,2.343182664,2.55626431,2.18586549,4.214360659,0.928005488,3.223225698,2.982420326,1.193978704,6.385219353,3.509269072,5.588701762,1.410886831,4.76E-04,2.08E-27,1.91E-72,3.62E-139,1.36E-227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.270503035,2.981234798,0.086934066,2.04095402,0.040571947,0.170177695,0.009936991,3.35E-06,1.46E-29,1.35E-74,2.55E-141,9.61E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.87321668,2.981314158,0.289376618,2.436490819,0.298297313,0.746270722,0.103551111,3.50E-05,1.52E-28,1.40E-73,2.65E-140,1.00E-228,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.042462132,2.982290215,1.117882494,5.945489047,3.137613276,5.069507233,1.257074765,4.24E-04,1.85E-27,1.70E-72,3.22E-139,1.22E-227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.286960703,2.981416925,0.435333289,2.853867928,0.608923959,1.299091647,0.22492685,7.59E-05,3.31E-28,3.05E-73,5.76E-140,2.17E-228,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.892511819,2.982967393,1.485179693,8.210654047,5.066221659,7.723910747,2.057645846,6.95E-04,3.03E-27,2.79E-72,5.27E-139,1.99E-227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.063722876,2.732860698,0.64034163,4.270638481,1.441066519,2.816299953,0.562791423,1.90E-04,8.28E-28,7.63E-73,1.44E-139,5.44E-228,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.702018193,0.775483854,0.585812992,0.555613174,0.253151845,0.604988691,0.568071724,0.39181694,3.06331504,2.771240516,6.607762877,0.333419761,1.564877355,1.141171922,0.377584037,0.187326928,0.668884221,0.22131635,0.273556746,0.13464461,0.040580341,1.706082887,0.715392189,2.502192057,0.503326331,0.448781697,1.363252866,0.535616145,0.346262433,0.607204032,0.238567834,0.389072925,0.270969727,0.138061648,2.245131444,1.387687248,3.885652679,0.410806049,0.7981043,1.688071487,0.765632896,0.576009412,0.557171931,0.252707994,0.5951453,0.553729549,0.378955977,3.029713795,2.705799881,6.479973045,0.335757897,1.527830826,1.462546286,0.606057889,0.416803397,0.588453299,0.243846481,0.447365763,0.346943334,0.199581703,2.485407572,1.748588962,4.603445945,0.382679949,0.9938908,1.745698679,0.806324601,0.616488283,0.550952283,0.254480561,0.636350847,0.614158755,0.433406737,3.168511564,2.980892242,7.017172584,0.326428424,1.683916339,1.695458155,0.766843609,0.577327069,0.557784601,0.252281989,0.600348677,0.555473628,0.380617808,3.039628833,2.72170471,6.511946052,0.336676901,1.536440113 +UMLRON0139,L,methylcyclopropane,CC1CC1,11657,,"Sandia, UML",[1],C4H8,PubChem,,100.2,0,2.7101,7.34464201,33.556,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1481.085153,1313.546982,433.064016,45.72288,0,0,0,3399.790734,4147.41404,5822.053423,6786.356216,4812.071906,1398.768499,0,0,0,146.842108,144.889944,254.851524,308.59548,456.591168,302.33088,0,0,0,25.74688067,32.32302034,46.4696881,57.93453947,51.41918809,20.00758072,0,0,0,3476.407621,2904.481805,5688.794349,6426.300402,11155.32659,8321.294341,0,0,0,43.34027778,47.91666667,66.83333333,100.25,108,45,0,0,0,48.76541633,51.7541979,41.14125425,30.54760423,6.561576,1.016064,0,0,0,161.8947969,207.370702,161.7237062,157.8222376,72.9101804,31.08374443,0,0,0,6.992481333,7.2444972,7.079209,7.17663907,6.918048,6.718464,0,0,0,1.226041937,1.616151017,1.29082467,1.347314871,0.779078607,0.444612905,0,0,0,165.54322,145.2240902,158.0220653,149.4488466,169.0200999,184.917652,0,0,0,2.063822751,2.395833333,1.856481481,2.331395349,1.636363636,1,0,0,0,0.040156877,-0.011460777,0.02133683,-0.031997989,-0.038479845,0.040523342,0,0,0,564.9747087,-53.80711511,282.4873543,-672.5889389,-443.9086997,605.330045,0,0,0,1050.594596,-100.0566282,525.297298,-1250.707852,-825.4671826,1125.637067,0,0,0,0.110674667,-0.010540444,0.055337333,-0.131755556,-0.086958667,0.11858,0,0,0,4.696646663,-0.447299682,2.348323331,-5.591246027,-3.690222378,5.032121424,0,0,0,25.51225921,-2.429738973,12.75612961,-30.37173716,-20.04534652,27.33456344,0,0,0,6.228835979,-3.147833207,4.052484883,-2.227166793,-6.67356387,4.881660998,0,0,0,0.001912232,-5.73E-04,5.93E-04,-7.44E-04,-5.83E-04,9.01E-04,0,0,0,26.90355756,-2.690355756,7.846870954,-15.64160323,-6.725889389,13.45177878,0,0,0,50.0283141,-5.00283141,14.59159161,-29.08622913,-12.50707852,25.01415705,0,0,0,0.005270222,-5.27E-04,0.001537148,-0.003064083,-0.001317556,0.002635111,0,0,0,0.223649841,-0.022364984,0.065231204,-0.130028977,-0.05591246,0.111824921,0,0,0,1.214869486,-0.121486949,0.354336934,-0.706319469,-0.303717372,0.607434743,0,0,0,0.296611237,-0.15739166,0.112569025,-0.051794577,-0.101114604,0.108481356,0,0,0,-0.299670118,0.309946524,-0.389146922,-0.304893902,0.470925393,0,0,0,-0.1,0.291666667,-0.581395349,-0.25,0.5,0,0,0,-0.1,0.291666667,-0.581395349,-0.25,0.5,0,0,0,-0.1,0.291666667,-0.581395349,-0.25,0.5,0,0,0,-0.1,0.291666667,-0.581395349,-0.25,0.5,0,0,0,-0.1,0.291666667,-0.581395349,-0.25,0.5,0,0,0,-0.530632831,0.37951706,-0.174621087,-0.340899438,0.365735825,0,0,0,1.605932855,0.624845364,1.686388322,1.194557626,0.089586859,0,0,0,1.5,0.833333333,1.843853821,1.071428571,0,0,0,0,1.5,0.833333333,1.843853821,1.071428571,0,0,0,0,1.5,0.833333333,1.843853821,1.071428571,0,0,0,0,1.5,0.833333333,1.843853821,1.071428571,0,0,0,0,1.5,0.833333333,1.843853821,1.071428571,0,0,0,0,1.906455723,0.34530509,1.467760893,1.459487635,0,0,0,0,23.01945622,11.50972811,16.32996587,23.01945622,3.288493746,11.50975494,1.78E-15,0.020465962,0.002923709,-2.722294498,20.11403613,2.873433732,2.10099252,23.01945622,11.50972811,16.32996587,23.01945622,3.288493746,11.50975494,1.78E-15,0.020465962,0.002923709,-2.722294498,20.11403613,2.873433732,2.10099252,23.01945622,11.50972811,16.32996587,23.01945622,3.288493746,11.50975494,1.78E-15,0.020465962,0.002923709,-2.722294498,20.11403613,2.873433732,2.10099252,23.01945622,11.50972811,16.32996587,23.01945622,3.288493746,11.50975494,1.78E-15,0.020465962,0.002923709,-2.722294498,20.11403613,2.873433732,2.10099252,23.01945622,11.50972811,16.32996587,23.01945622,3.288493746,11.50975494,1.78E-15,0.020465962,0.002923709,-2.722294498,20.11403613,2.873433732,2.10099252,23.01945622,11.50972811,16.32996587,23.01945622,3.288493746,11.50975494,1.78E-15,0.020465962,0.002923709,-2.722294498,20.11403613,2.873433732,2.10099252,36.11052007,17.84414892,26.17595947,35.80893277,5.115561824,17.84414896,-0.422222222,0.076894926,0.010984989,-1.795720768,19.13488141,2.733554488,2.066059045,0,11.89,12.11009426,-0.148521395,0.075008929,6.113608975,9.084888987,6,20,19,19,5,1,1,0,0,1,15.304898,3.619371295,2.953347622,2.333552793,2.333552793,2.225322918,0.977127045,0.083923071,0.083923071,1.927005095,1.52948598,1.249629723,1.249629723,1.112399965,0.045491371,0.083923071,0.083923071,3.637760192,2.991875462,2.405454588,2.405454588,2.294225232,1.064312868,0.270913902,0.270913902,1.877329382,1.44647093,1.134540686,1.134540686,1.000294617,0.148662881,0.270913902,0.270913902,3.722590248,3.163443782,2.704236987,2.704236987,2.582340748,1.411894457,0.943918427,0.943918427,1.740319726,1.197865034,0.76031856,0.76031856,0.636663489,0.526334294,0.943918427,0.943918427,3.651517155,3.020418018,2.457539916,2.457539916,2.344258586,1.126803921,0.399277246,0.399277246,1.846492744,1.393125338,1.058262671,1.058262671,0.926052429,0.220504568,0.399277246,0.399277246,3.766311832,3.247382844,2.838982085,2.838982085,2.71295285,1.558158691,1.207644823,1.207644823,1.700471972,1.119779056,0.631337262,0.631337262,0.51182397,0.67020325,1.207644823,1.207644823,3.628379077,3.091825682,2.505389412,2.504705503,2.504705503,1.083368948,0.502994012,0.502994012,1.904615159,1.327202216,0.995723467,0.995723467,0.751411325,0.171271569,0.502994012,0.502994012,0,0,1,0,1,4,0,0,1,0,0,0,0,0,0,0,0,0,0,1.654700538,0.288675135,0.866025404,0.288675135,1.426776695,0.25,0.530330086,0.176776695,2.598076211,0.577350269,0,1.810660172,0.426776695,0,6.077350269,2.943375673,3.520725942,1.732050808,0,0,0,0,0.868192896,0.490562612,0.391191771,0.288675135,0,0,0,0,5.707106781,2.603553391,3.030330086,1.280330086,0,0,0,0,0.815300969,0.433925565,0.336703343,0.213388348,0,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,29,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,3,1,0,1,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.069444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.347569444,0,0,0,0.730208333,0.290277778,0,0.347569444,0,0,0,0,0,0,0,0,8.541666667,3.826388889,0,0,0,0,0,0,0,1.243055556,0,0,0.305555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.243055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.347569444,0,0,0,0.243402778,0.290277778,0,0.347569444,0,0,0,0,0,0,0,0,2.055555556,3.826388889,0,0,0,0,0,0,0,1.243055556,0,0,0.305555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.826388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.347569444,0,0,0,0.243402778,0.290277778,0,0.347569444,0,0,0,0,0,0,0,0,2.162037037,3.826388889,0,0,0,0,0,0,0,1.243055556,0,0,0.305555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.91666667,1.988095238,0.347569444,3.826388889,0.041666667,0.305555556,4.806381944,0.944444444,0.826388889,2.736111111,0.944444444,0.826388889,2.736111111,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.71429,0.14286,0.14286,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.8602,0.98003,8.30939,1.44919,0.20703,2.42902,0.347,2.94337,0.51435,0.07348,0.47063,0.06723,0.47063,0.06723,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.022106113,2.485693612,2.485693612,2.067377667,1.248011019,19.28421252,42.46422837,52.19956586,52.19956586,43.41493102,26.2082314,0.209068641,0.460373402,0.565918483,0.565918483,0.470680388,0.284134979,3.474021589,2.37021131,1.90662381,1.90662381,2.324939755,3.144306404,0.209068641,0.460373402,0.565918483,0.565918483,0.470680388,0.284134979,6.73287657,15.64275278,16.10996786,16.10996786,11.09017652,1.257776745,27.64912502,18.42100773,18.802954,18.802954,16.29305833,6.564250006,7,1.851851852,2.666666667,7,2,4,2.23,1.0519,3.920263408,0,3.298769777,3.789291416,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.155,0.135,0.064,0.154,2.725,9,6,0,0,0,0,0,0,0,28,2.079441542,2.48490665,2.302585093,0,0,0,0,0,0,0,3.555348061,1.214285714,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,5,0.833333333,0,2,3,0.5,3.5,1.333333333,0,0,0,0,0,0,0,0,0.583333333,0.148148148,0,0,0,0,0,0,0,0,0.731481481,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,0,126.9918924,3.807354922,3.433987204,4.110873864,4.934473933,5.666426688,6.475432717,7.221835825,8.026496939,8.776630098,9.580040124,71.22619739,2.564949357,0,3.891820298,0,5.379897354,0,6.91671502,0,8.466531277,8.706821323,98.10955045,4.671883355,12.29305504,1.75615072,0,0,0,42,6,3.228,30,1.2229,2.116561414,3.011412209,3.521725732,4.026504672,0,0,0,0,0,73.6156376,100.3594849,96.81001708,23.925122,4.091186443,0,0,0,0,0,277.7186352,379.2035108,486.5262772,262.9321786,125.1588422,0,0,0,0,0,8.892335553,15.06307534,21.62723733,24.39287347,27.05192669,0,0,0,0,0,2.107286619,2.954224617,4.118405739,2.792979861,1.790235939,0,0,0,0,0,175.5375183,328.8078369,449.0921268,592.9001607,744.5717898,0,0,0,0,0,2.9767125,4.187724238,7.124976389,5.848761227,4.026504672,0,0,0,0,0,0.4370085,0.617107812,0.870011179,0.61305613,0.412314078,0,0,0,0,0,351.1211501,141.6346931,10.85549502,167.1810312,-67.43721939,-11.43586148,183.940119,209.0719125,22.2913565,0.677444863,0.273266635,0.020944336,0.322555137,-0.13011178,-0.022064081,181.986858,73.40957036,5.626426746,86.65029312,-34.95285791,-5.927231951,0.132502459,0.245942531,4.223896361,11.74879808,518.3021813,0,1,0,395.3145785,19.88251942,7.339181199,531.3577082,23.05119754,8.099576812,689.4601971,26.25757409,8.834250974,1.148891779,1.117485267,260.8016125,212.0302183,160.182701,1.230020959,1.628150923,1.323677382,3.640420319,3.201922285,5.27386672,0.647093918,4.068092278,4.929674236,5.374655805,14.05417779,7.041797296,15.08027083,12.26793421,10.95634938,3.191534082,0.018065918,2.85E-23,1.06E-65,8.06E-130,1.20E-215,4.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.341405495,4.913902949,0.239361455,8.697665973,1.950413763,2.674271062,0.690854886,0.36651712,0.022478241,1.27E-04,2.01E-25,7.46E-68,5.68E-132,8.48E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.102080425,4.91495732,0.912180587,9.790134,2.334549912,4.475252122,2.233555244,1.547531851,0.234240558,0.001325936,2.09E-24,7.78E-67,5.92E-131,8.84E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.839939651,4.927942865,4.927471291,13.72593396,6.498345355,14.06205773,11.26895334,9.961145127,2.843599412,0.016096408,2.54E-23,9.44E-66,7.18E-130,1.07E-215,4.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.62426624,4.916323911,1.485515025,10.54034932,2.792767145,5.928721514,3.536172836,2.649420631,0.50880178,0.002880111,4.54E-24,1.69E-66,1.29E-130,1.92E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.912847316,4.936954308,7.181169419,15.26988254,9.317102539,19.14402038,16.29625688,15.03502431,4.654552496,0.026347444,4.16E-23,1.54E-65,1.18E-129,1.76E-215,5.9E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.240893204,3.26173207,1.916776138,11.05606323,3.303131885,8.556682676,5.184381535,3.882992803,0.807467638,0.004570731,7.21E-24,2.68E-66,2.04E-130,3.05E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.257484076,1.718760446,1.028185129,0.451097175,0.343447818,0.529637478,0.528444755,0.408481366,5.004429652,7.968389826,16.96225421,0.191817489,1.466563599,1.599781838,1.068335754,0.567709854,0.494396523,0.330158444,0.27787667,0.221926301,0.124532563,3.235827447,3.223820786,7.429923493,0.241594784,0.624335534,1.856788841,1.330874231,0.750595763,0.471474557,0.337934678,0.368459881,0.338089443,0.217691826,3.938258836,4.863798818,10.65689419,0.214113853,0.92424115,2.24078289,1.703076088,1.016785066,0.45171209,0.343317536,0.522429297,0.520537307,0.399473471,4.960644044,7.82628067,16.66720404,0.192544439,1.442440076,1.973145088,1.446100823,0.832115506,0.464120759,0.340150056,0.412773853,0.393135034,0.267545133,4.251361417,5.698574278,12.3242664,0.206406222,1.07345402,2.309901402,1.767733615,1.063875681,0.449265116,0.343815995,0.552548799,0.553207266,0.437332079,5.141510698,8.421387088,17.9070111,0.189621667,1.543088143,2.242849389,1.709910305,1.015618166,0.451424882,0.344158668,0.525066026,0.529365171,0.398557107,4.968377861,7.849565837,16.71291176,0.193375325,1.452988304 +UMLRON0140,L,"2,3,3-trimethyl-1-butene",CC(=C)C(C)(C)C,11669,,"Sandia, UML",[1],C7H14,PubChem,,100.5,0,2.0911,4.37269921,24.213,14.134344,0,0,13,5,8,0,5,0,0,0,0,0,0,0,0,0,729.449117,673.913188,681.025636,458.027474,130.215456,12.192768,0,0,0,2366.254464,2611.960538,2829.546749,2453.346433,1427.119864,373.0049332,0,0,0,91.450292,87.10312,134.132368,114.72788,131.642496,80.621568,0,0,0,17.50140324,20.06395448,23.17624481,21.16742034,15.13695924,5.335354858,0,0,0,2113.312997,1732.157806,3026.58137,2397.30438,3195.484345,2219.011824,0,0,0,34.02777778,36.33333333,41,42.33333333,35,12,0,0,0,56.11147054,56.15943233,35.84345453,28.62671712,6.853445053,1.016064,0,0,0,182.0195742,217.6633782,148.9235131,153.334152,75.11157177,31.08374443,0,0,0,7.034637846,7.258593333,7.059598316,7.1704925,6.928552421,6.718464,0,0,0,1.346261788,1.671996207,1.219802359,1.322963771,0.796682065,0.444612905,0,0,0,162.5625382,144.3464838,159.2937563,149.8315238,168.1833866,184.917652,0,0,0,2.617521368,3.027777778,2.157894737,2.645833333,1.842105263,1,0,0,0,0.027814169,-0.006746911,0.00367404,-0.011094575,-0.017554927,0.01781529,0,0,0,372.5107969,-45.8474827,79.5167278,-309.4705082,-125.3642105,214.9100751,0,0,0,692.6997337,-85.25535183,147.8647508,-575.4736249,-233.1201027,399.6344617,0,0,0,0.072972308,-0.008981207,0.015576781,-0.060623148,-0.024557988,0.042099408,0,0,0,3.096690107,-0.38113109,0.661024234,-2.572634858,-1.042155325,1.786551985,0,0,0,16.82126981,-2.070310131,3.590694133,-13.97459338,-5.661004263,9.704578737,0,0,0,5.769230769,-0.979289941,1.702662722,-2.993754109,-3.314431295,2.700197239,0,0,0,0.002139551,-5.62E-04,1.93E-04,-6.93E-04,-9.24E-04,0.001484607,0,0,0,28.65467669,-3.820623558,4.185090937,-19.34190676,-6.598116342,17.90917293,0,0,0,53.2845949,-7.104612653,7.782355307,-35.96710156,-12.26947909,33.30287181,0,0,0,0.005613254,-7.48E-04,8.20E-04,-0.003788947,-0.001292526,0.003508284,0,0,0,0.238206931,-0.031760924,0.034790749,-0.160789679,-0.05485028,0.148879332,0,0,0,1.293943832,-0.172525844,0.188983902,-0.873412086,-0.297947593,0.808714895,0,0,0,0.443786982,-0.081607495,0.089613827,-0.187109632,-0.174443752,0.225016437,0,0,0,-0.26278527,0.090378997,-0.32409175,-0.431839826,0.69388725,0,0,0,-0.133333333,0.146052632,-0.675,-0.230263158,0.625,0,0,0,-0.133333333,0.146052632,-0.675,-0.230263158,0.625,0,0,0,-0.133333333,0.146052632,-0.675,-0.230263158,0.625,0,0,0,-0.133333333,0.146052632,-0.675,-0.230263158,0.625,0,0,0,-0.133333333,0.146052632,-0.675,-0.230263158,0.625,0,0,0,-0.183888889,0.201929825,-0.42162037,-0.393079922,0.507037037,0,0,0,1.423843488,0.788845907,1.109891272,1.385940271,0.152890034,0,0,0,1.3,0.821052632,1.70625,1.026315789,0,0,0,0,1.3,0.821052632,1.70625,1.026315789,0,0,0,0,1.3,0.821052632,1.70625,1.026315789,0,0,0,0,1.3,0.821052632,1.70625,1.026315789,0,0,0,0,1.3,0.821052632,1.70625,1.026315789,0,0,0,0,1.314444444,0.516959064,1.455277778,1.532631579,0,0,0,0,10.89130739,5.445653697,7.828403424,10.89130739,2.178261479,5.456099025,-2.66E-15,0.195542539,0.039108508,-0.815988666,45.95411468,9.190822935,1.913821696,10.89130739,5.445653697,7.828403424,10.89130739,2.178261479,5.456099025,-2.66E-15,0.195542539,0.039108508,-0.815988666,45.95411468,9.190822935,1.913821696,10.89130739,5.445653697,7.828403424,10.89130739,2.178261479,5.456099025,-2.66E-15,0.195542539,0.039108508,-0.815988666,45.95411468,9.190822935,1.913821696,10.89130739,5.445653697,7.828403424,10.89130739,2.178261479,5.456099025,-2.66E-15,0.195542539,0.039108508,-0.815988666,45.95411468,9.190822935,1.913821696,10.89130739,5.445653697,7.828403424,10.89130739,2.178261479,5.456099025,-2.66E-15,0.195542539,0.039108508,-0.815988666,45.95411468,9.190822935,1.913821696,10.89130739,5.445653697,7.828403424,10.89130739,2.178261479,5.456099025,-2.66E-15,0.195542539,0.039108508,-0.815988666,45.95411468,9.190822935,1.913821696,14.45550217,7.12219553,10.23152886,14.32883551,2.865767101,7.124070515,-0.211111111,6.22E-15,1.24E-15,-16.35572444,4000000,800000,7.60090246,0,11.79,12.21002884,-0.271378852,0.15352257,5.001365046,6.931503656,4,12,10,10,2,2,2,0,0,2,8.745656,3.531459287,2.632723562,2.333552793,1.277284021,0.083923071,0.083923071,0.083923071,0.083923071,1.813935259,1.28863236,1.249629723,0.171053109,0.083923071,0.083923071,0.083923071,0.083923071,3.546955933,2.678704445,2.405454588,1.353739584,0.270913902,0.270913902,0.270913902,0.270913902,1.765193234,1.198525087,1.134540686,0.073853837,0.270913902,0.270913902,0.270913902,0.270913902,3.620792589,2.880207989,2.704236987,1.665520874,0.943918427,0.943918427,0.943918427,0.943918427,1.636714362,0.919888443,0.76031856,0.277918207,0.943918427,0.943918427,0.943918427,0.943918427,3.558666782,2.712617795,2.457539916,1.408962432,0.399277246,0.399277246,0.399277246,0.399277246,1.735477752,1.139886776,1.058262671,0.00632799,0.399277246,0.399277246,0.399277246,0.399277246,3.660358463,2.976500194,2.838982085,1.799958955,1.207644823,1.207644823,1.207644823,1.207644823,1.601166361,0.829493593,0.631337262,0.409131989,1.207644823,1.207644823,1.207644823,1.207644823,3.575299202,2.792693266,2.418101788,1.433636319,0.447761194,0.447761194,0.447761194,0.447761194,1.774030448,1.074818206,1.016270507,0.011327833,0.447761194,0.447761194,0.447761194,0.447761194,0,0,1,1,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.25,0,0,0,0.40824829,0,0,0.176776695,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.707106781,1.603553391,1.176776695,0.353553391,0,0,0,0,0.741421356,0.400888348,0.294194174,0.176776695,0,0,0,0,7.167311215,12.55134741,11.90196078,12.04,8.194217964,98.85571497,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,1.66369,23.731,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,2,0,1,0,0,0,0,0,0,0,0,2,1,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.48125,0,0,0,0,0.667361111,0,0.48125,0,0,0,0,0,0,0,0,3.930555556,3.398148148,0,0,0,0,0,2.694444444,0,1.143518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.143518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.48125,0,0,0,0,0.333680556,0,0.48125,0,0,0,0,0,0,0,0,1.965277778,3.398148148,0,0,0,0,0,2.694444444,0,1.143518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.398148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.48125,0,0,0,0,0.333680556,0,0.48125,0,0,0,0,0,0,0,0,1.965277778,3.398148148,0,0,0,0,0,2.694444444,0,1.143518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.16666667,2.233333333,0.48125,3.398148148,0.1875,1.143518519,3.514625,0.523148148,0.398148148,1.185185185,0.523148148,0.398148148,1.185185185,2.5,0.5,0,0,0.45385,0.7,0.41765,0.41765,0.7,0.0362,0.0362,0,0,0.71429,0,0,0.6,0.2,0,4,0.8,2,0.4,2,0.4,0,0,0,0,2.73496,0.54699,4.43249,1.69754,0.33951,1.31271,0.26254,2.27005,0.95734,0.19147,0.14395,0.02879,0.14395,0.02879,0,4,0,0,0,0,0,0,0.5,0.961236605,2.199687795,2.199687795,2.199687795,1.630389377,0.930287903,12.49607586,28.59594133,28.59594133,28.59594133,21.1950619,12.09374274,0.259762806,0.59443957,0.59443957,0.59443957,0.440593416,0.251399286,2.739203113,1.500751923,1.500751923,1.500751923,2.070050342,2.770151815,0.252468347,0.577746977,0.577746977,0.577746977,0.428221012,0.244339685,6.796774065,16.17036613,16.17036613,16.17036613,9.338785117,0.937567436,19.35422196,14.0290313,14.0290313,14.0290313,10.61324079,3.919918362,5,2.25,4,5,3,4,2.01,0.7271,1.144714243,1.889881575,2.381101578,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.104,0.088,0.143,0.175,1.64,4,2,0,0,0,0,0,0,0,15,1.945910149,2.302585093,2.197224577,0,0,0,0,0,0,0,3.36729583,1.866666667,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.5,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,0,89.76346443,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,68.06260026,5.235584635,8.696801932,1.739360386,0,0,0,18,2,3.921,16,1.195555219,2.085417533,3.126417651,3.827126228,4.634211471,0,0,0,0,0,76.24542778,87.98729165,97.76468396,28.00143556,4.708655445,0,0,0,0,0,281.4991237,347.8851231,498.6989087,300.8298787,144.048645,0,0,0,0,0,8.707179791,14.80479285,22.44440311,26.580235,31.13478294,0,0,0,0,0,2.114371785,2.770054866,4.240920488,3.155903531,2.060430224,0,0,0,0,0,170.7605571,326.2845975,466.7892539,638.5779325,856.9475043,0,0,0,0,0,3.736105,4.850862334,8.487324276,7.281397017,4.634211471,0,0,0,0,0,0.437671066,0.580900067,0.896544341,0.69105184,0.474543255,0,0,0,0,0,228.9410775,62.4725752,7.830715509,92.55338124,-25.25561656,-5.74663938,136.3876963,87.72819176,13.57735489,0.712115159,0.194319291,0.024357233,0.287884841,-0.078556926,-0.01787477,73.60328782,20.08458675,2.517531644,29.75539921,-8.119540778,-1.847512717,0.198171605,0.333561628,5.760525825,11.09848705,321.4944588,0,1,0,297.5481296,17.24958346,6.676042225,378.0253792,19.44287477,7.230588608,410.5273142,20.26147364,7.432142351,1.602241105,1.522849755,190.2196703,137.2309262,60.67567185,1.386128298,3.135023716,2.261712512,3.280595102,3.291486397,5.373743733,0.632619153,3.423145856,2.040658872,1.988026212,3.961610245,0.25379234,2.868353937,2.567418548,3.788103432,1.561445422,0.204171725,9.27E-18,8.16E-56,1.39E-115,4.54E-197,2.87E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.287495017,2.036936631,0.152001491,2.788174945,0.021295327,0.583381239,0.163039236,0.20218042,0.010997398,0.001437998,6.53E-20,5.75E-58,9.76E-118,3.20E-199,2.02E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.927548203,2.037185423,0.500457689,2.962547899,0.068746123,1.005990441,0.560852884,0.728920079,0.114601287,0.014985049,6.80E-19,5.99E-57,1.02E-116,3.33E-198,2.10E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.231183559,2.040250226,1.86631651,3.866725392,0.239556634,2.712973694,2.387333957,3.495974456,1.391219767,0.181913331,8.26E-18,7.27E-56,1.23E-115,4.04E-197,2.55E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.36692465,2.037507936,0.747475588,3.101593911,0.101321627,1.30910426,0.861544624,1.1514455,0.248929282,0.03254953,1.48E-18,1.30E-56,2.21E-116,7.24E-198,4.57E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.133895841,2.042377162,2.44923279,4.339095405,0.306503484,3.461251418,3.271535094,4.952158908,2.277221367,0.297765272,1.35E-17,1.19E-55,2.02E-115,6.62E-197,4.18E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.572194649,1.379654062,0.838588626,3.021409194,0.114611463,1.615241243,0.895732289,1.317081958,0.313054383,0.040934407,1.86E-18,1.64E-56,2.78E-116,9.10E-198,5.75E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.869576294,1.600321974,0.291162103,0.602717897,0.336127217,0.483389408,0.556071685,0.396556991,4.761060371,5.89371098,11.99185935,0.408267671,1.436018085,2.003839106,0.834879901,0.05643272,0.692136128,0.288371726,0.235713164,0.151098288,0.015259669,2.895151728,1.833161631,4.822723324,0.538204192,0.402071122,2.324363201,1.117996028,0.143613978,0.648181977,0.311769208,0.317151807,0.271079984,0.098122186,3.585973208,3.09299973,7.052172362,0.472272965,0.686353977,2.845628016,1.579124188,0.284692996,0.604238481,0.335310025,0.47535462,0.541411325,0.37940025,4.709445201,5.753295995,11.74203765,0.40932276,1.396166196,2.476650523,1.252649258,0.184895758,0.632735513,0.320027256,0.360071929,0.340418704,0.161875798,3.914195539,3.791906151,8.279717565,0.44910327,0.862366431,2.945486015,1.667518502,0.311662275,0.598108692,0.338605346,0.509302584,0.603842656,0.453362096,4.924666792,6.34935191,12.80479547,0.405071057,1.566507337,2.85894105,1.570595322,0.283124746,0.6066511,0.333271433,0.479812758,0.535577333,0.375235493,4.712661117,5.744350796,11.72830981,0.40997665,1.390625584 +UMLRON0141,L,"3-methyl-1,2-butadiene",CC(=C=C)C,11714,,"Sandia, UML",[1],C5H8,PubChem,,61,0,-0.2066,0.04268356,34.6912,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1483.122152,1564.909256,1210.855805,405.887328,45.72288,0,0,3947.642614,5029.877407,6806.459662,7774.63306,7379.004519,4747.615757,1398.768499,0,0,181.25648,180.900988,339.441056,442.613024,503.008052,495.704448,302.33088,0,0,30.31423229,39.56609758,57.48793273,68.17071473,69.15295802,52.0800713,20.00758072,0,0,4342.872585,3643.766351,7584.388218,10167.38237,11815.2405,12360.21782,8321.294341,0,0,42.05555556,49.77777778,74.91666667,96.66666667,112,102,45,0,0,45.09238923,49.11105724,30.89837817,24.83982946,16.81744174,5.637324,1.016064,0,0,151.8324082,201.1950963,141.801243,123.406874,102.4861739,65.93910774,31.08374443,0,0,6.971403077,7.23603952,7.071688667,7.025603556,6.986222944,6.884784,6.718464,0,0,1.165932011,1.582643903,1.197665265,1.082074837,0.96045775,0.723334324,0.444612905,0,0,167.033561,145.7506541,158.0080879,161.3870218,164.1005625,171.6696919,184.917652,0,0,1.617521368,1.991111111,1.560763889,1.534391534,1.555555556,1.416666667,1,0,0,0.03606508,-0.007592148,-0.004692776,7.36E-04,-0.012230799,-0.018098212,0.023845377,0,0,670.5194345,-58.02572029,-45.8474827,-97.42590073,-357.4670917,-292.2777022,515.7841804,0,0,1246.859521,-107.9013047,-85.25535183,-181.1676226,-664.7253213,-543.5028679,959.1227081,0,0,0.131350154,-0.01136684,-0.008981207,-0.019085065,-0.070025349,-0.057255195,0.10103858,0,0,5.574042193,-0.482369036,-0.38113109,-0.809903567,-2.971631468,-2.4297107,4.287724764,0,0,30.27828566,-2.620236259,-2.070310131,-4.399409027,-16.1419493,-13.19822708,23.29098897,0,0,3.487179487,-1.641518738,-0.034023669,0.120808679,0.791913215,-3.118343195,2.137573964,0,0,0.001387118,-3.04E-04,-9.78E-05,1.17E-05,-1.70E-04,-2.51E-04,5.30E-04,0,0,25.78920902,-2.321028812,-0.95515589,-1.546442869,-4.964820718,-4.059412531,11.46187067,0,0,47.95613541,-4.316052187,-1.776153163,-2.87567655,-9.23229613,-7.548650944,21.31383796,0,0,0.005051929,-4.55E-04,-1.87E-04,-3.03E-04,-9.73E-04,-7.95E-04,0.002245302,0,0,0.214386238,-0.019294761,-0.007940231,-0.012855612,-0.041272659,-0.033745982,0.095282773,0,0,1.164549448,-0.10480945,-0.043131461,-0.069831889,-0.22419374,-0.183308709,0.517577533,0,0,0.134122288,-0.06566075,-7.09E-04,0.001917598,0.010998795,-0.043310322,0.047501644,0,0,-0.21893294,-0.070481478,0.008422365,-0.1224641,-0.181213109,0.382012988,0,0,-0.09,-0.037037037,-0.059964727,-0.192515432,-0.157407407,0.444444444,0,0,-0.09,-0.037037037,-0.059964727,-0.192515432,-0.157407407,0.444444444,0,0,-0.09,-0.037037037,-0.059964727,-0.192515432,-0.157407407,0.444444444,0,0,-0.09,-0.037037037,-0.059964727,-0.192515432,-0.157407407,0.444444444,0,0,-0.09,-0.037037037,-0.059964727,-0.192515432,-0.157407407,0.444444444,0,0,-0.489558824,-0.005284926,0.014297386,0.082005719,-0.322916667,0.354166667,0,0,1.755267596,1.115791254,1.017089897,1.176549892,1.094046717,1.58E-05,0,0,1.625,1.222511574,1.14638448,1.191165123,0.940393519,0,0,0,1.625,1.222511574,1.14638448,1.191165123,0.940393519,0,0,0,1.625,1.222511574,1.14638448,1.191165123,0.940393519,0,0,0,1.625,1.222511574,1.14638448,1.191165123,0.940393519,0,0,0,1.625,1.222511574,1.14638448,1.191165123,0.940393519,0,0,0,2.102941176,0.833907782,0.891398226,0.954222835,1.493566176,0,0,0,34.83747069,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,-1.42E-14,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,34.83747069,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,-1.42E-14,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,34.83747069,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,-1.42E-14,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,34.83747069,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,-1.42E-14,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,34.83747069,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,-1.42E-14,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,34.83747069,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,-1.42E-14,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,45.89430528,22.81868042,32.35301007,45.70159695,5.712699619,22.81868042,-0.256944444,0.020425407,0.002553176,-3.112780552,29.74037994,3.717547493,2.714004573,0,11.89,12.11011416,-0.163300884,0.057615317,5.5975625,8.899504327,7,25,25,25,7,0,0,0,0,0,19.677726,3.577695675,3.033823398,2.902564078,2.333552793,2.158359307,1.598026915,1.329697604,0.799536031,1.950107724,1.628453427,1.563026335,1.249629723,1.057981325,0.769718516,0.555576148,0.287378039,3.602154634,3.075526295,2.950308951,2.405454588,2.226915609,1.695309721,1.432278403,0.933671614,1.894348711,1.545612802,1.473453684,1.134540686,0.942839812,0.630337185,0.411006381,0.122169339,3.71082862,3.257090894,3.155598408,2.704236987,2.516544332,2.090117344,1.847433766,1.455685557,1.732743249,1.29281334,1.195492746,0.76031856,0.571605204,0.162386152,0.076857313,0.452313445,3.620233761,3.106183012,2.985267979,2.457539916,2.276884688,1.765276817,1.506010736,1.028753948,1.859050919,1.492022154,1.415133181,1.058262671,0.866733555,0.536857124,0.313865687,0.010007601,3.764417201,3.343853287,3.252217518,2.838982085,2.649131608,2.26277616,2.028147589,1.673886504,1.683119188,1.211463716,1.104407163,0.631337262,0.445263731,0.004703131,0.252046414,0.666588149,3.580498841,3.18532199,3.083474825,2.634654398,2.366470503,1.855791473,1.5716612,1.128116863,1.88699292,1.398007425,1.305035835,0.878556837,0.748505711,0.414718268,0.211447329,0.12020106,0,0,0,0,0,4,2,2,0,0,0,0,0,0,0,0,0,0,0,0.5,0,0.166666667,0,0.5,0,0.166666667,0,1.138071187,1.304737854,0.333333333,1.138071187,1.304737854,0.333333333,6.568914101,3.718744015,2.820593172,1.991563832,1.231484176,0,0,0,0.821114263,0.531249145,0.352574147,0.248945479,0.246296835,0,0,0,6.568914101,3.718744015,2.820593172,1.991563832,1.231484176,0,0,0,0.821114263,0.531249145,0.352574147,0.248945479,0.246296835,0,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,43,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.150462963,0,2.68287037,0,0,0,1.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.271990741,0,1.341435185,0,0,0,0.87962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.303240741,0,1.341435185,0,0,0,0.953703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.708333333,0.2,2.303240741,0.2,0.87962963,6.025310185,0.453703704,0.303240741,2.300925926,0.453703704,0.303240741,2.300925926,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0.25,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.08078,1.1351,9.08078,0,0,3.71873,0.46484,3.71873,0,0,0.19527,0.02441,0.19527,0.02441,0,7,0,0,0,0,0,0,1,0.89049164,1.352030102,2.430457026,2.862961352,2.628835904,2.141910926,23.15278265,35.15278265,63.19188266,74.43699516,68.34973349,55.68968407,0.189448582,0.287639068,0.517070141,0.609083729,0.559274464,0.455683097,3.809948078,3.348409616,2.269982693,1.837478366,2.071603814,2.558528792,0.191756937,0.291143835,0.523370433,0.616505171,0.566088999,0.461235413,6.648700044,12.18716158,15.81068299,15.08187147,14.02338128,8.416499269,31.72521615,23.41346491,20.82594038,22.26853035,19.67154262,14.53242082,8,3.9375,2.8125,8,0,5,2.34,1.2358,1.683693072,3.509530701,4.298279727,0,0.5,2.828427125,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,3.31,8,8,5,0,0,0,0,0,0,36,2.079441542,2.197224577,2.197224577,1.791759469,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,2,4,1,2,1.111111111,0.625,0,0,0,0,0,0,0,0.285714286,0.138888889,0.078125,0,0,0,0,0,0,0,0.502728175,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,0,146.9243357,4,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,72.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.389132521,114.1408506,4.390032714,14.50113758,1.812642197,0,0,0,67,8,4.77,30,1.2278,2.116942009,2.890690877,3.528596142,4.132140447,4.3327157,0,0,0,0,71.2221278,74.49919381,79.84960211,63.02420955,22.98088678,4.402316445,0,0,0,0,272.5498825,326.3003669,379.4586064,377.8491409,270.1064129,134.6770275,0,0,0,0,8.919363223,15.03016952,20.35934474,24.711296,28.43761771,29.10919445,0,0,0,0,2.081648384,2.695254639,3.265893871,3.505412155,2.970021323,1.926381313,0,0,0,0,176.77647,330.1832551,462.903554,574.4099365,710.2615072,801.1956141,0,0,0,0,2.496728889,3.41633496,4.54786457,5.629259083,5.825615065,4.3327157,0,0,0,0,0.4321989,0.568411947,0.694088941,0.753886931,0.656153289,0.443670088,0,0,0,0,371.5176786,164.1672059,8.997885567,144.0348237,-63.64648554,-8.448576584,227.4828549,227.8136915,17.44646215,0.720620455,0.318429656,0.017452899,0.279379545,-0.123452966,-0.016387422,191.5368689,84.63681382,4.63888242,74.25751377,-32.81310489,-4.355684799,0.068116254,0.146923288,0.873985219,8.122908046,515.5525023,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,789.5810691,28.09948521,9.24270111,1.310755992,1.079729203,412.8023231,322.6413157,201.5450191,1.279446565,2.048189159,1.600839937,4.06011539,3.220218461,6.42424645,0.994972244,5.020210116,6.998742132,4.443943251,25.76328326,8.973577028,8.762590663,12.21431452,19.66810752,4.64749678,5.892806661,0.856847675,1.126710554,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421311436,6.641857987,0.273717616,9.632431182,1.07224249,2.100169938,0.740733364,0.886866376,1.020548014,0.078673318,0.006035917,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.36004468,6.665709896,0.948980455,11.88829835,1.638320707,2.868580356,2.366599633,3.365561985,1.360211116,0.52799507,0.062890516,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.738668827,6.959560866,4.12639298,24.40898435,8.119556589,8.145457723,11.25856482,18.03899481,4.283712223,5.275978254,0.763436588,1.003878819,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.00445563,6.696631338,1.464776098,13.74472297,2.337718176,3.571708022,3.695341534,5.469423332,1.712347729,1.055409531,0.136603976,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.062630795,7.163493128,5.690371494,31.19409337,12.55608542,11.28516008,16.04068002,26.24423159,6.155368459,8.472867128,1.249628322,1.643201452,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.12182802,5.684237802,2.244697555,16.06555888,3.729449733,4.677358484,6.038531587,9.162306394,2.818627232,2.184854302,0.293606345,0.386070957,2.75E-15,3.78E-51,1.00E-108,5.12E-188,5.05E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.074025219,1.781052037,0.961359942,0.528506561,0.306210138,0.457401346,0.459093694,0.41222919,5.816437198,10.14247567,21.22235747,0.292759841,1.328724229,2.339972777,1.279096355,0.487854151,0.569762963,0.311448807,0.265616525,0.240153122,0.107502923,4.106923283,4.758628548,10.32572401,0.354644444,0.613272569,2.642416221,1.485821343,0.683278519,0.549185782,0.308805233,0.338339114,0.32206611,0.209884912,4.811516083,6.746894467,14.24107026,0.323778672,0.870290135,3.056914392,1.769341895,0.950352406,0.529188414,0.306294227,0.45233885,0.453211487,0.40297755,5.776608693,9.995370978,20.91217611,0.293782621,1.308527887,2.772481674,1.574758248,0.767173742,0.542091793,0.307905921,0.372325857,0.360870776,0.263996086,5.114413663,7.7010767,16.16496201,0.31313769,0.997192719,3.127267816,1.817493092,0.995602851,0.526443824,0.305956532,0.473334867,0.477634474,0.441655921,5.94036376,10.60680571,22.20596467,0.289665737,1.392625263,3.067631537,1.771489602,0.953096127,0.52961265,0.305839633,0.455488325,0.454206068,0.405238512,5.792217266,10.04642499,21.01803097,0.294418975,1.314932905 +UMLRON0142,L,2-Methyl-3-ethylpentane,CCC(CC)C(C)C,11863,,"Sandia, UML",[1],C8H18,PubChem,,87.3,0,1.9611,3.84591321,44.3682,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1811.945363,1730.24881,1091.645693,418.834249,68.749632,3.048192,0,4184.657049,5188.491512,6941.531225,7153.864894,5777.269211,3454.660734,1080.621354,93.25123329,0,148.486212,153.276228,258.0923,299.576872,298.260788,291.380068,162.839808,20.155392,0,30.43545486,38.46263172,53.83398791,57.50203527,50.46311963,35.06558861,13.34643534,1.333838715,0,3360.161029,2978.619777,5445.36734,6454.021027,6522.071776,7040.720899,4310.843231,554.7529561,0,43.80555556,53.27777778,76.66666667,85.5,81.83333333,65.5,28,3,0,62.40808843,68.74581643,50.33181564,41.19640024,25.99156412,9.972244024,2.864568,1.016064,0,199.2693833,247.0710244,192.8203118,170.3301165,137.5540288,82.253827,45.02588975,31.08374443,0,7.070772,7.298868,7.169230556,7.132782667,7.101447333,6.937620667,6.784992,6.718464,0,1.449307374,1.831553891,1.495388553,1.369096078,1.201502848,0.834894967,0.556101472,0.444612905,0,160.0076681,141.839037,151.2602039,153.6671673,155.2874232,167.6362119,179.618468,184.917652,0,2.085978836,2.537037037,2.12962963,2.035714286,1.948412698,1.55952381,1.166666667,1,0,0.046050618,-7.60E-04,-0.007650617,-0.007931562,-0.024413667,-0.001953469,0.015368504,0.004315177,0,622.6251891,4.05E-13,56.82690218,-86.47572071,-536.1494684,-138.3611531,326.1370038,66.70984169,0,1157.798126,-5.68E-14,105.6720512,-160.8052953,-996.9928309,-257.2884725,606.4656852,124.0497992,0,0.121968,1.87E-15,0.011132,-0.01694,-0.105028,-0.027104,0.063888,0.013068,0,5.175896322,1.00E-14,0.472403236,-0.718874489,-4.457021833,-1.150199183,2.711183788,0.55456032,0,28.11555097,4.49E-14,2.566101874,-3.904937635,-24.21061333,-6.247900215,14.72719336,3.012380461,0,4.216931217,-0.498677249,0.595049131,-0.084656085,-2.835978836,-1.548941799,1.847316704,0.417422525,0,0.002192887,-3.62E-05,-2.13E-04,-1.89E-04,-5.81E-04,-4.65E-05,6.40E-04,0.001438392,0,29.64881853,1.93E-14,1.578525061,-2.058945731,-12.76546353,-3.29431317,13.58904183,22.2366139,0,55.13324411,-2.71E-15,2.935334756,-3.828697507,-23.73792455,-6.125916012,25.26940355,41.34993308,0,0.005808,8.91E-17,3.09E-04,-4.03E-04,-0.002500667,-6.45E-04,0.002662,0.004356,0,0.246471253,4.78E-16,0.013122312,-0.017116059,-0.106119567,-0.027385695,0.112965991,0.18485344,0,1.33883576,2.14E-15,0.071280608,-0.092974706,-0.576443175,-0.148759529,0.613633057,1.00412682,0,0.200806248,-0.023746536,0.016529143,-0.002015621,-0.067523306,-0.036879567,0.076971529,0.139140842,0,-0.016496526,-0.096912048,-0.086117864,-0.265074258,-0.021210021,0.292014342,0.655935523,0,6.50E-16,0.053240741,-0.069444444,-0.430555556,-0.111111111,0.458333333,0.75,0,-4.91E-17,0.053240741,-0.069444444,-0.430555556,-0.111111111,0.458333333,0.75,0,1.53E-14,0.053240741,-0.069444444,-0.430555556,-0.111111111,0.458333333,0.75,0,1.94E-15,0.053240741,-0.069444444,-0.430555556,-0.111111111,0.458333333,0.75,0,1.60E-15,0.053240741,-0.069444444,-0.430555556,-0.111111111,0.458333333,0.75,0,-0.11825596,0.082313885,-0.010037641,-0.336260979,-0.183657465,0.383312422,0.692910916,0,1.070326308,1.023853146,1.07960917,1.275491815,0.944577253,0.463057509,0.321522682,0,1.111111111,0.972222222,1.064814815,1.388888889,0.972222222,0.324074074,0,0,1.111111111,0.972222222,1.064814815,1.388888889,0.972222222,0.324074074,0,0,1.111111111,0.972222222,1.064814815,1.388888889,0.972222222,0.324074074,0,0,1.111111111,0.972222222,1.064814815,1.388888889,0.972222222,0.324074074,0,0,1.111111111,0.972222222,1.064814815,1.388888889,0.972222222,0.324074074,0,0,1.254705144,0.843527813,0.941028858,1.339397742,1.143350063,0.39523212,0,0,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,36.23576186,17.81607589,25.97236485,36.17883457,4.019870507,17.81607597,-0.102469136,0.37732554,0.04192506,-0.877182266,72.05083751,8.005648612,3.849634752,0,11.89,12.11013444,-0.153436031,0.066826687,5.60477583,8.758382517,9,21,18,15,3,3,0,0,0,6,13.118484,3.815451989,3.075118137,2.865431575,2.491428186,2.065863181,1.546866472,0.758537801,0.747197571,2.001089275,1.602785818,1.412022506,1.039832623,0.874599477,0.593247241,0.240146238,0.01471024,3.826248511,3.108616922,2.897776128,2.527345752,2.126045991,1.635373201,0.883828322,0.860754725,1.96965727,1.524738108,1.327729192,0.956313159,0.765275453,0.471444993,0.072641088,0.118207023,3.876099621,3.262098246,3.05086035,2.686069931,2.379384915,1.993484364,1.399095904,1.311220731,1.886586455,1.293564866,1.083183019,0.718064375,0.427869257,0.058398234,0.508412398,0.608368734,3.834319181,3.133690294,2.922237609,2.553825451,2.169785349,1.699057902,0.975709513,0.941301543,1.950554195,1.474727355,1.27402322,0.903816696,0.694237042,0.389755254,0.041045521,0.211082119,3.902039899,3.339127454,3.130478172,2.764392088,2.496632893,2.148060088,1.618834385,1.501590733,1.863064053,1.222463142,1.01057788,0.645649001,0.316911535,0.092088778,0.723335556,0.795599327,3.839034369,3.139635782,2.976334468,2.618386285,2.227845203,1.737148036,1.089192619,1.015538651,1.948311357,1.441557916,1.19230821,0.828731117,0.622025831,0.32252006,0.167128766,0.28778457,0,0,0,4,2,2,1,0,0,0,0,0,0.083333333,0.142258898,0,0,0,0.027777778,0.047419633,0.402368927,0,0.11785113,0,0.24639964,0,0.058925565,0,1.069035594,1.408291245,1.304737854,0.590704015,0.686226046,0.511653807,6.690234444,4.342535255,3.43006888,2.813496153,1.999552237,1.209772801,0.469913203,0.176776695,0.743359383,0.482503917,0.311824444,0.216422781,0.153811711,0.1008144,0.078318867,0.058925565,6.016507858,3.388010441,2.280038013,1.642156173,1.006776424,0.470606092,0.168143667,0.058925565,0.668500873,0.376445605,0.207276183,0.126319706,0.07744434,0.039217174,0.028023944,0.019641855,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,2.27702,39.46,37.21619288,52.5703477,74.43238575,8.270265084,37.21619288,0.046958593,0.005217621,-2.752640152,68.11258832,7.568065368,3.799045842,67,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,4,0,0,0,0,0,0,0,0,2,0,1,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.35333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.619375,0,0.645277778,0,0,1.619375,0,0,0,0,0,0,0,0,4.334490741,0,1.145509259,0,0,8.494537037,0,0,0,0,2.858796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.402777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.390972222,0,0.285972222,0,0,0.390972222,0,0,0,0,0,0,0,0,2.15162037,0,1.145509259,0,0,2.07787037,0,0,0,0,1.402777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.175925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.417430556,0,0.359305556,0,0,0.417430556,0,0,0,0,0,0,0,0,2.18287037,0,1.145509259,0,0,2.175925926,0,0,0,0,1.456018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.83333333,1.87037037,0.417430556,2.18287037,0.131944444,1.145509259,5.536261296,0.354490741,0.18287037,1.658055556,0.354490741,0.18287037,1.658055556,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.22222,0.22222,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.47,0.60778,9.99821,4.52821,0.50313,2.30382,0.25598,4.34252,2.0387,0.22652,0.07148,0.00794,0.15748,0.0175,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.392317423,3.272804327,3.463280518,3.517816091,3.748994804,20.68979086,50.23866588,68.72889087,72.72889087,73.8741379,78.72889087,0.224307135,0.544659503,0.745120175,0.788485937,0.800902064,0.853534579,3.407089287,2,1.119513095,0.929036905,0.874501332,0.643322619,0.214882485,0.521774698,0.713812671,0.755356345,0.767250788,0.817671857,6.75154531,17.86857762,21.89657578,22.08854245,24.23725238,23.42336627,33.82580122,24.64405706,18.90378553,18.37337889,16.02690347,16.55066085,7.111111111,3.239669421,1.704142012,2,6,2,2.45,1.1391,0.25,3.377018974,2.149139864,0,5.085675265,5.676240019,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.395,11,13,13,12,6,3,1,0,0,77,2.564949357,3.068052935,3.548179572,3.929371644,4.298135385,3.725693427,3.168897455,2.151035195,0,0,5.596800274,3.487824675,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,3,0.333333333,0,3,5,0.666666667,1.5,1.111111111,0.5,0.262222222,0.0625,0,0,0,0,0,0.166666667,0.101010101,0.05,0.052444444,0.0625,0,0,0,0,0,0.432621212,19.67321585,27.79929374,39.34643171,4.371825745,19.67321587,0.085014734,0.009446082,-2.218437623,74.26283141,8.251425712,3.876849519,0,133.0544855,4.169925001,3.713572067,4.48863637,5.283203729,6.075346031,6.874198495,7.669961995,8.469472455,9.266058861,10.06564892,79.90609892,2.944438979,0,4.143134726,0,5.579729826,0,7.115582126,0,8.689296048,8.925587339,120.0939004,5.718757161,17.54892744,1.949880827,0,0,0,86,10,3.33,40,1.233966845,2.155093317,3.000666189,3.819210269,4.420215118,4.777148637,6.220278543,0,0,0,94.26734244,118.7051746,131.6302254,103.7908291,45.61340059,14.80906016,6.320201097,0,0,0,326.927337,443.1414145,534.7234087,540.4876822,367.2491985,223.5774916,193.3495485,0,0,0,9.036759105,15.50629783,21.45958117,27.16518487,30.6712233,32.4533896,41.79071746,0,0,0,2.379713299,3.386138227,4.254589692,4.687961117,3.710644342,2.724406816,2.765616112,0,0,0,173.1445827,322.0546381,456.9986303,589.8320892,740.6386675,854.8402013,1150.239303,0,0,0,3.225409968,4.753000374,6.276400712,7.584604518,6.907612954,5.674736759,6.220278543,0,0,0,0.489733493,0.703952203,0.891019855,0.995442579,0.809070336,0.612688146,0.636956523,0,0,0,259.5801144,120.1504104,10.44255981,99.94381434,-46.26044003,-5.266602834,159.6363001,166.4108505,15.70916264,0.722010675,0.334193084,0.029045521,0.277989325,-0.12867138,-0.014648824,93.32526254,43.1969476,3.754350127,35.93219278,-16.63173514,-1.893469742,0.134028234,0.132854339,3.371181196,1.796578619,359.5239287,0,1,0,666.9778556,25.82591442,8.737163679,784.0715378,28.00127743,9.221153035,1144.579632,33.83163656,10.46040913,1.347313736,1.347313736,474.6571509,338.7134069,177.4974476,1.401353301,2.674163248,1.908271986,3.998773862,3.785524729,6.661528955,0.759737271,3.673559607,3.820521846,4.590786654,10.23740683,4.813842919,6.319166611,6.877168027,7.357090679,3.122708575,3.634518214,1.761155313,0.549171909,1.80E-05,4.16E-31,1.96E-78,1.86E-147,3.51E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0.30840601,3.820354291,0.274931965,4.666165069,1.86286297,1.323321946,0.563264368,1.002141587,0.537807051,0.196045131,0.078625717,0.003867863,1.27E-07,2.93E-33,1.38E-80,1.31E-149,2.47E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0.995305602,3.820365864,0.9595795,5.33783913,2.197420708,2.070768121,1.745147155,1.98526584,0.926787916,0.70466418,0.299395334,0.040306111,1.32E-06,3.06E-32,1.44E-79,1.37E-148,2.58E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,3.467547315,3.820503583,4.257125,9.731648482,4.538447208,5.916989534,6.452810772,6.85694252,2.915412043,3.355653106,1.614755282,0.489302284,1.61E-05,3.71E-31,1.75E-78,1.66E-147,3.13E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,1.466840637,3.820380527,1.487857196,5.93714934,2.506599524,2.664721625,2.588219267,2.753399647,1.234979925,1.111194132,0.487370178,0.087550259,2.87E-06,6.64E-32,3.13E-79,2.97E-148,5.59E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,4.436330396,3.820598555,5.905038706,12.29699651,5.941078111,7.917628514,8.491318928,9.335062998,3.945927727,4.744652664,2.352482511,0.800915617,2.63E-05,6.07E-31,2.86E-78,2.71E-147,5.12E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,2.020531525,3.398089614,2.053022472,6.382626863,3.002149286,3.285271819,3.625681586,3.729530452,1.715392115,1.67143586,0.749658872,0.156983167,5.15E-06,1.19E-31,5.61E-79,5.32E-148,1.00E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,3.667802899,2.169309956,0.445355239,0.583815603,0.345295817,0.515577832,0.504739303,0.339826193,6.282468095,10.55619014,20.38217233,0.393667131,1.360143328,2.765226974,1.307792774,0.174104215,0.651082238,0.307924324,0.2934515,0.184772012,0.051735008,4.247123963,4.325473761,9.202218433,0.476623357,0.529958521,3.080908201,1.609343915,0.269027862,0.62124103,0.324511607,0.364075534,0.279115564,0.1237562,4.959279978,6.220049366,12.51323429,0.431861545,0.766947298,3.640584829,2.143359406,0.437181626,0.585197103,0.344529182,0.507970246,0.492846308,0.327444953,6.221125861,10.33171588,19.9642057,0.394589428,1.328261507,3.238202038,1.759504082,0.316303136,0.609370794,0.331106703,0.402101548,0.33321384,0.171187974,5.314009257,7.278419826,14.39460723,0.41405619,0.906503362,3.755009346,2.252443246,0.471541089,0.579566755,0.347653256,0.54033365,0.543773079,0.381040541,6.47899368,11.29070617,21.75796866,0.390830016,1.465147271,3.646201704,2.144521794,0.436674449,0.585509668,0.344368838,0.509585099,0.493696982,0.326898846,6.227397947,10.34802001,19.98993225,0.394817759,1.330180927 +UMLRON0143,L,o-ethyltoluene,CCC1=CC=CC=C1C,11903,,"Sandia, UML",[1],C9H12,PubChem,,100.2,0,1.6606,2.75759236,30.6836,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,913.087565,804.128644,409.689673,100.076256,9.144576,0,0,2914.106344,3494.423905,4149.471199,4039.080402,3174.907034,1527.680798,279.7536999,0,0,125.864664,123.114164,211.6517,218.745616,230.913892,224.10432,60.466176,0,0,22.06875486,27.30703172,35.0937937,35.20091372,31.06407246,18.68581429,4.001516144,0,0,2979.777961,2471.442353,4779.986516,4927.642151,5376.46203,5911.511891,1664.258868,0,0,33.02777778,39.16666667,53.16666667,56,55.5,39,9,0,0,48.76541633,50.97680359,30.43625217,25.93963368,12.41483858,3.032613818,1.016064,0,0,161.8947969,205.5543474,138.3157066,130.2929162,96.20930407,46.29335751,31.08374443,0,0,6.992481333,7.242009647,7.055056667,7.056310194,6.997390667,6.79104,6.718464,0,0,1.226041937,1.606295984,1.169793123,1.135513346,0.941335529,0.566236797,0.444612905,0,0,165.54322,145.3789619,159.3328839,158.9561984,162.9230918,179.136724,184.917652,0,0,1.834876543,2.303921569,1.772222222,1.806451613,1.681818182,1.181818182,1,0,0,0.034021616,2.45E-04,-0.007674848,-0.013650479,-0.01479181,0.013167381,0.005693895,0,0,484.264036,-53.80711511,2.10E-13,-147.9695666,-363.198027,201.7766817,121.066009,0,0,900.5096538,-100.0566282,1.35E-13,-275.1557275,-675.3822403,375.2123557,225.1274134,0,0,0.094864,-0.010540444,5.61E-16,-0.028986222,-0.071148,0.039526667,0.023716,0,0,4.025697139,-0.447299682,1.11E-15,-1.230074126,-3.019272855,1.677373808,1.006424285,0,0,21.86765075,-2.429738973,2.40E-14,-6.681782175,-16.40073807,9.111521147,5.466912688,0,0,3.211419753,-0.886402606,0.112139918,-0.117198217,-2.452417695,0.996656379,0.741512346,0,0,0.00189009,1.44E-05,-2.56E-04,-4.40E-04,-4.48E-04,3.99E-04,6.33E-04,0,0,26.90355756,-3.165124418,6.99E-15,-4.773211824,-11.00600082,6.114444899,13.45177878,0,0,50.0283141,-5.885684011,4.50E-15,-8.875991211,-20.46612849,11.37007139,25.01415705,0,0,0.005270222,-6.20E-04,1.87E-17,-9.35E-04,-0.002156,0.001197778,0.002635111,0,0,0.223649841,-0.026311746,3.70E-17,-0.039679811,-0.091493117,0.050829509,0.111824921,0,0,1.214869486,-0.142925822,7.99E-16,-0.21554136,-0.496992063,0.276106701,0.607434743,0,0,0.178412209,-0.05214133,0.003737997,-0.003780588,-0.074315688,0.030201708,0.082390261,0,0,0.007626523,-0.135352432,-0.23297202,-0.237150982,0.211107196,0.334722178,0,0,-0.117647059,2.60E-16,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.117647059,9.00E-17,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.117647059,3.55E-15,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.117647059,1.65E-16,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.117647059,6.58E-16,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.292252028,0.020951466,-0.021190185,-0.416539251,0.169280503,0.461797213,0,0,1.296598248,1.313658388,1.422936665,1.11930576,0.317143651,0.003801213,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.712638155,0.894521864,1.017454388,1.503866148,0.481237167,0,0,0,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,21.39334399,10.65685718,16.22976098,21.34025757,3.556709594,10.65691428,-0.07962963,0.200050037,0.033341673,-0.965512657,16.1013119,2.683551983,1.667340452,0,11.89,12.11007471,-0.179299839,0.044676237,5.374547771,7.685503879,5,17,16,16,4,1,1,0,0,1,13.118484,3.540555378,2.865081898,2.54719039,1.886949926,1.505228104,0.344109736,0.083923071,0.083923071,1.875841698,1.524168067,1.355045439,0.886289331,0.628155545,0.083923071,0.083923071,0.083923071,3.560860944,2.912206141,2.607820635,1.965600326,1.598567031,0.471800875,0.270913902,0.270913902,1.822394366,1.434128227,1.249691962,0.761335285,0.494736601,0.270913902,0.270913902,0.270913902,3.654148109,3.115970063,2.865056506,2.292469171,1.977444195,0.958553255,0.943918427,0.943918427,1.673556754,1.155751879,0.914278472,0.35373006,0.046732001,0.943918427,0.943918427,0.943918427,3.576033742,2.946779797,2.652048431,2.022602679,1.665721835,0.561964105,0.399277246,0.399277246,1.789077632,1.375576207,1.180401024,0.678418554,0.405290945,0.399277246,0.399277246,0.399277246,3.701951025,3.212402365,2.98380042,2.439582945,2.142927699,1.207644823,1.207644823,1.207644823,1.629890309,1.06500317,0.801509977,0.212776649,0.113509522,1.153230243,1.207644823,1.207644823,3.573923729,2.996587406,2.741671856,2.090246595,1.72662782,0.63283836,0.537313433,0.537313433,1.782690817,1.303003175,1.077246187,0.600742919,0.311645504,0.537313433,0.537313433,0.537313433,0,0,0,1,1,3,1,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.204124145,0,0,0,0.577350269,0.288675135,0,0.40824829,0.204124145,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.78445705,2.426685576,1.488581196,1.050476816,0.204124145,0,0,0,0.797409508,0.485337115,0.297716239,0.262619204,0.204124145,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.51E-16,4.19E-17,-21.5515951,3000004.229,500000.7049,8.948474554,29,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,2,3,0,1,0,0,0,0,0,0,0,0,3,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.606481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.533680556,0.870833333,0,0.316319444,0,0,0,0,0,0,0,0,6.369212963,0,1.190972222,0,2.138888889,0,0,0,0,1.467592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.467592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.243402778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.068287037,0,1.190972222,0,2.138888889,0,0,0,0,1.467592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.138888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.290277778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.162037037,0,1.190972222,0,2.138888889,0,0,0,0,1.467592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.16666667,1.861111111,0.316319444,2.162037037,0.069444444,1.190972222,3.717506944,0.309027778,0.162037037,1.016203704,0.309027778,0.162037037,1.016203704,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.74073,0.79012,5.73058,0.98984,0.16497,2.19415,0.36569,2.80805,0.6139,0.10232,0.10595,0.01766,0.10595,0.01766,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.94471679,2.932999307,3.26633264,3.03467014,2.075522223,16.52932501,35.00490222,52.79398752,58.79398752,54.62406252,37.35940001,0.220218789,0.46636733,0.703369798,0.783307287,0.727751731,0.497736104,3.251629167,2.225208211,1.236925695,0.903592361,1.135254862,2.094402779,0.220218789,0.46636733,0.703369798,0.783307287,0.727751731,0.497736104,6.73287657,16.01742989,18.23479853,18.5707402,15.7907902,5.963359945,23.69925001,14.79422358,13.73834653,13.15338403,11.76340903,9.39649167,6,3.2,3,6,2,5,2.12,0.911,0.908560296,3.301927249,1.889881575,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,2.685,5,4,1,0,0,0,0,0,0,21,1.945910149,2.197224577,2.079441542,1.098612289,0,0,0,0,0,0,3.401197382,1.380952381,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.51E-16,4.19E-17,-21.5515951,3000004.229,500000.7049,8.948474554,0,109.6959078,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,84.09390038,4.671883355,10.6758508,1.779308466,0,0,0,31,4,2.836,20,1.207902002,2.088953167,3.007305918,3.81372954,4.47462431,3.374806794,0,0,0,0,72.21490952,75.08614034,88.4663755,46.22280297,11.07616831,3.42901969,0,0,0,0,273.1493236,322.0981469,421.9108628,374.5239027,188.3373737,104.9016319,0,0,0,0,8.781684225,14.81405178,21.28950672,26.74701851,30.29760614,22.67351795,0,0,0,0,2.07513056,2.646964274,3.599070125,3.669393101,2.383298417,1.500482652,0,0,0,0,173.4838637,327.3292047,473.0537098,616.3246751,808.7181602,624.0613484,0,0,0,0,2.886963058,3.904991597,5.645214026,6.549000547,5.063358374,3.374806794,0,0,0,0,0.430433924,0.557915895,0.763087212,0.794491238,0.539211337,0.345580216,0,0,0,0,282.4985564,99.43929498,8.115585254,60.53865406,-21.30956404,-3.647922159,221.9599023,120.748859,11.76350741,0.823521612,0.289879033,0.023658032,0.176478388,-0.06212027,-0.010634188,96.90751674,34.11137836,2.783947727,20.76701101,-7.309973405,-1.251373042,0.161583694,0.250377291,3.05982531,2.724413745,343.0372105,0,1,0,330.2331781,18.17231901,6.912050483,450.588666,21.22707389,7.666434351,503.2951607,22.43424081,7.954402902,1.259706559,1.237021,281.3794148,160.4530069,133.7580638,1.753656228,2.103644497,1.199576328,3.688906744,3.531235717,5.403298808,0.530143905,4.978962474,4.001838372,4.091070378,12.06407807,6.799877571,2.590547856,7.361123123,7.917010051,4.109279348,1.190454607,7.06E-16,1.16E-52,3.79E-111,2.38E-191,2.89E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.417855135,3.984422146,0.185044888,3.133993342,1.828095882,0.204407221,1.664371592,0.312771147,0.029476241,0.008384469,4.97E-18,8.20E-55,2.67E-113,1.68E-193,2.04E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.348874382,3.985586039,0.701649445,3.887720007,2.549454088,0.631709289,2.624985906,1.241374706,0.302970448,0.087372633,5.18E-17,8.55E-54,2.78E-112,1.75E-192,2.12E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.699734751,3.99992626,3.752644459,11.13917464,6.391682174,2.42332889,6.940835418,7.230880731,3.661661781,1.060673622,6.29E-16,1.04E-52,3.38E-111,2.12E-191,2.58E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.987989908,3.987094991,1.139627479,4.722565876,3.131786673,0.942782775,3.344459077,2.063986851,0.65677763,0.189785034,1.13E-16,1.86E-53,6.04E-112,3.80E-192,4.61E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.01281705,4.009878519,5.456859009,15.91800829,8.429128572,3.233688605,8.998483824,10.70791653,5.991255156,1.736166163,1.03E-15,1.70E-52,5.53E-111,3.48E-191,4.22E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.762498207,3.707413545,1.642220879,5.789959484,4.048992938,1.151696931,4.297242114,3.250833857,1.188378733,0.34369106,2.04E-16,3.36E-53,1.09E-111,6.88E-192,8.35E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.79926232,2.182700441,0.353667424,0.524635746,0.409080158,0.577178361,0.583715837,0.444308946,5.335630185,7.871909037,15.36842989,0.400573856,1.605203144,1.837443289,1.516694328,0.07624512,0.535637983,0.4421356,0.248276204,0.281178969,0.020649952,3.430382736,3.042576439,6.685442111,0.466660373,0.550105125,2.219402625,1.781254301,0.186428254,0.530059105,0.425416304,0.36255456,0.388382838,0.123457763,4.187085181,4.69915596,9.623251776,0.433213114,0.874395161,2.775447202,2.166215195,0.346799229,0.524811826,0.409611594,0.567386704,0.574917502,0.427219618,5.288461627,7.725980614,15.09947408,0.401635129,1.569523823,2.389681081,1.899156112,0.235541413,0.528178848,0.419760652,0.420434876,0.441659793,0.197074072,4.524378606,5.548576202,11.14193064,0.42190925,1.059168741,2.873821621,2.234310821,0.375169908,0.524104169,0.4074754,0.608374816,0.611691442,0.499978043,5.483302349,8.337428321,16.22970068,0.397369354,1.720044301,2.778902388,2.166696087,0.346575775,0.52509654,0.409415107,0.568756644,0.575122216,0.42666925,5.29217425,7.735061554,15.11398134,0.401767471,1.570548109 +UMLRON0144,L,3-methyl-2-pentene,CCC(=CC)C,12014, (trans) reported,UML,[1],C6H12,PubChem,,97.2,0,-1.0162,1.03266244,29.2337,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1168.347606,1180.540374,817.342347,254.505888,27.433728,0,0,3461.958223,4376.887272,5667.785137,6040.79007,5365.407829,3184.273894,839.2610996,0,0,160.279036,159.125208,296.687832,377.3094,377.238252,369.98208,181.398528,0,0,26.63610648,34.55010896,48.7938183,54.12917316,51.1099003,36.04986215,12.00454843,0,0,3846.242925,3210.7269,6654.719106,8873.73093,8857.330192,9413.241332,4992.776605,0,0,36.52777778,43.33333333,64.75,78,84,72,27,0,0,44.61329874,48.14991518,27.81780014,21.86185878,15.13596939,4.713072,1.016064,0,0,150.5199227,198.9494215,134.9472652,111.8664828,99.35940425,58.96803508,31.08374443,0,0,6.968653739,7.232964,7.063996,6.987211111,6.985893556,6.85152,6.718464,0,0,1.158091586,1.570459498,1.161757579,1.002392095,0.946479635,0.66759004,0.444612905,0,0,167.2279533,145.9421318,158.445693,164.3283506,164.0246332,174.3192839,184.917652,0,0,1.588164251,1.96969697,1.541666667,1.444444444,1.555555556,1.333333333,1,0,0,0.032527919,-0.006158607,-0.009219332,0.00512233,-0.015191929,-0.005005412,0.014188992,0,0,589.5388264,-58.58770946,-129.0760474,5.492597762,-357.7054292,-57.6722765,302.7794516,0,0,1096.272622,-108.9463475,-240.0224219,10.21372008,-665.1685202,-107.2440608,563.0313194,0,0,0.115486609,-0.01147693,-0.025285112,0.001075962,-0.070072038,-0.011297603,0.059312416,0,0,4.900848691,-0.487040864,-1.073011903,0.045660081,-2.973612774,-0.47943085,2.517011964,0,0,26.62148787,-2.645613702,-5.828617687,0.248026285,-16.15271178,-2.604275988,13.67244894,0,0,2.845410628,-1.09126234,-0.808286074,0.971644612,-0.289224953,-1.397920605,1.192344045,0,0,0.001414257,-2.80E-04,-2.20E-04,9.49E-05,-2.81E-04,-9.27E-05,5.26E-04,0,0,25.63212289,-2.663077703,-3.073239224,0.101714773,-6.624174616,-1.06800512,11.21405376,0,0,47.66402704,-4.952106706,-5.714819569,0.189142964,-12.31793556,-1.986001127,20.85301183,0,0,0.005021157,-5.22E-04,-6.02E-04,1.99E-05,-0.00129763,-2.09E-04,0.002196756,0,0,0.213080378,-0.022138221,-0.025547902,8.46E-04,-0.055066903,-0.008878349,0.093222665,0,0,1.157455995,-0.120255168,-0.138776612,0.004593079,-0.299124292,-0.048227333,0.506386998,0,0,0.123713506,-0.049602834,-0.019244907,0.017993419,-0.005356018,-0.025887419,0.044160891,0,0,-0.197939004,-0.15521073,0.067072627,-0.19892562,-0.065541693,0.371585993,0,0,-0.103896104,-0.119897959,0.003968254,-0.25843254,-0.041666667,0.4375,0,0,-0.103896104,-0.119897959,0.003968254,-0.25843254,-0.041666667,0.4375,0,0,-0.103896104,-0.119897959,0.003968254,-0.25843254,-0.041666667,0.4375,0,0,-0.103896104,-0.119897959,0.003968254,-0.25843254,-0.041666667,0.4375,0,0,-0.103896104,-0.119897959,0.003968254,-0.25843254,-0.041666667,0.4375,0,0,-0.400949221,-0.155560272,0.145444256,-0.043293718,-0.209252971,0.356960951,0,0,1.737280122,1.218871993,0.880446323,1.276185005,0.872761516,0,0,0,1.642857143,1.290816327,1.003968254,1.254960317,0.75297619,0,0,0,1.642857143,1.290816327,1.003968254,1.254960317,0.75297619,0,0,0,1.642857143,1.290816327,1.003968254,1.254960317,0.75297619,0,0,0,1.642857143,1.290816327,1.003968254,1.254960317,0.75297619,0,0,0,1.642857143,1.290816327,1.003968254,1.254960317,0.75297619,0,0,0,2.011035654,1.012490905,0.608517261,1.181239389,1.288624788,0,0,0,28.59389526,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,0,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,28.59389526,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,0,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,28.59389526,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,0,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,28.59389526,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,0,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,28.59389526,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,0,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,28.59389526,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,0,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,35.61550058,17.71548839,24.48262939,35.48369786,5.069099695,17.71548844,-0.18452381,0,0,0,3000009.507,428572.7867,10.43988821,0,11.89,12.11009426,-0.16903964,0.051391638,5.433519118,8.270753521,6,22,22,22,6,0,0,0,0,0,17.491312,3.526648257,2.902564078,2.902564078,2.181727047,1.598026915,1.598026915,0.902587011,0.083923071,1.926688276,1.563026335,1.563026335,1.084438741,0.769718516,0.769718516,0.348066086,0.083923071,3.553367324,2.950308951,2.950308951,2.250821456,1.695309721,1.695309721,1.031979376,0.270913902,1.867720858,1.473453684,1.473453684,0.969245257,0.630337185,0.630337185,0.186460336,0.270913902,3.67134812,3.155598408,3.155598408,2.542033557,2.090117344,2.090117344,1.537209272,0.943918427,1.694987868,1.195492746,1.195492746,0.597291919,0.162386152,0.162386152,0.373444117,0.943918427,3.573079272,2.985267979,2.985267979,2.301138919,1.765276817,1.765276817,1.123795185,0.399277246,1.83022888,1.415133181,1.415133181,0.893065587,0.536857124,0.536857124,0.076887173,0.399277246,3.729063388,3.252217518,3.252217518,2.67505104,2.26277616,2.26277616,1.749263129,1.207644823,1.641383456,1.104407163,1.104407163,0.470453387,0.004703131,0.004703131,0.581393754,1.207644823,3.546267417,3.09326525,3.09326525,2.410795178,1.863601082,1.863601082,1.223645829,0.591549296,1.84276286,1.296046237,1.296046237,0.75828437,0.407298968,0.407298968,0.054141623,0.591549296,0,0,0,0,0,3,3,1,0,0,0,0,0,0,0,0,0,0,0,0.204124145,0,0,0,0.204124145,0,0,0,0.612372436,0.612372436,0,0.612372436,0.612372436,0,5.698670613,3.346065215,2.090770275,1.732050808,0.866025404,0,0,0,0.814095802,0.557677536,0.348461713,0.288675135,0.288675135,0,0,0,5.698670613,3.346065215,2.090770275,1.732050808,0.866025404,0,0,0,0.814095802,0.557677536,0.348461713,0.288675135,0.288675135,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,36,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,6.784722222,0,4.0625,0,0,0,0.986111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.261574074,0,1.354166667,0,0,0,0.986111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.261574074,0,1.354166667,0,0,0,0.986111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.69047619,0.2,2.261574074,0.2,0.986111111,5.308222222,0.347222222,0.261574074,1.569444444,0.347222222,0.261574074,1.569444444,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.42857,0.14286,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.12629,1.01804,7.12629,0,0,3.34606,0.47801,3.34606,0,0,0.06794,0.00971,0.06794,0.00971,0,6,0,0,0,0,0,0,1,0.886540893,1.327484782,2.195349999,2.195349999,1.998673392,1.418701204,20.39044053,30.53214998,50.49304997,50.49304997,45.96948801,32.63012769,0.195982923,0.293460064,0.485314454,0.485314454,0.441836193,0.313624798,3.637021063,3.196077174,2.328211957,2.328211957,2.524888564,3.104860752,0.19880132,0.297680264,0.492293679,0.492293679,0.448190165,0.318134983,6.634953582,11.92628025,12.80093654,12.80093654,10.44081726,5.643054678,27.76507516,20.80617277,22.97686298,22.97686298,21.79680334,14.70080627,7,4.166666667,2.666666667,7,0,5,2.23,1.0949,0.75,4.326748711,1.5,0,1.5,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.039,6,6,3,0,0,0,0,0,0,28,1.945910149,1.945910149,1.945910149,1.386294361,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,6,1,0,2,4,1,1.5,0.666666667,0.375,0,0,0,0,0,0,0,0.25,0.111111111,0.0625,0,0,0,0,0,0,0,0.423611111,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,0,129.6283511,3.807354922,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,66.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921535632,100.1252005,4.353269587,12.6691974,1.809885343,0,0,0,48,6,4.262,24,1.224818182,2.11142556,2.865572383,3.520945155,4.034074112,4.579342432,0,0,0,0,69.72220731,66.73106956,69.18941076,57.19042614,19.88702573,4.652904989,0,0,0,0,268.787596,308.3215324,340.4487016,363.1196725,244.474562,142.3431098,0,0,0,0,8.893455721,14.97034384,20.0722716,24.6357118,27.67100006,30.76614727,0,0,0,0,2.059771149,2.597411395,2.997464361,3.420107467,2.745829823,2.036034741,0,0,0,0,176.6115071,330.5407757,467.2340714,574.6063808,700.7109652,846.8012503,0,0,0,0,2.471818182,3.349874301,4.242267585,5.580003698,5.457580927,4.579342432,0,0,0,0,0.427911136,0.549535126,0.639947731,0.737202911,0.608963727,0.468924665,0,0,0,0,361.4521467,142.6199576,8.823504747,146.8652023,-57.9493278,-8.551359987,214.5869444,200.5692854,17.37486473,0.711075763,0.280572674,0.01735826,0.288924237,-0.114002262,-0.016822877,183.732397,72.49619877,4.485140542,74.6541303,-29.45664868,-4.346804639,0.075673485,0.164556389,1.431314881,9.687743225,508.317349,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,634.4662802,25.1886141,8.59282925,1.609580039,1.20582466,359.6637963,291.4446471,124.2057763,1.234072404,2.895709097,2.346466129,3.842500793,3.220194404,6.42424645,0.994987148,4.462409009,6.050239669,3.745527965,21.15551917,8.458952726,6.744687705,7.963091409,12.66956978,3.321162046,5.62089371,0.856845983,1.126710554,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499054,5.693382889,0.250801218,7.4350724,1.065799878,1.087411198,0.556749033,0.551587494,1.011114361,0.076758213,0.006035905,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928606,5.717232891,0.851481918,9.183071752,1.593348129,1.832914221,1.659001124,2.117151437,1.262628851,0.508038198,0.062890392,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212150083,6.01106138,3.491725256,19.94317538,7.659108672,6.253567929,7.364798649,11.60650425,3.101908389,5.033708709,0.76343508,1.003878819,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738341,5.748151931,1.29728371,10.69556803,2.246936531,2.466198734,2.537263617,3.461458454,1.500612817,1.012060537,0.136603707,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389005176,6.214978167,4.73050097,26.067101,11.81468079,8.727476087,10.34280259,16.97033426,4.22133453,8.076307643,1.249625854,1.643201452,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.765215222,5.104273184,2.04191382,12.62191218,3.718014688,3.594519367,4.187284102,5.845944666,2.413945623,2.136106338,0.299841466,0.394270466,2.81E-15,3.86E-51,1.02E-108,5.23E-188,5.15E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.386729296,1.428111147,0.703893705,0.613678645,0.25877513,0.499942131,0.471706179,0.452641149,5.518734148,8.22576174,17.14896639,0.420517968,1.424289459,2.632081025,0.962227954,0.279539302,0.67944866,0.248390717,0.30215781,0.215239139,0.071548406,3.87384828,3.53741256,8.11923939,0.519172991,0.588945355,2.944634488,1.155154754,0.455369274,0.646439521,0.253592658,0.378064502,0.309495361,0.189721175,4.555158517,5.26842658,11.37252757,0.469659281,0.877281038,3.369289434,1.417341939,0.694093551,0.614752516,0.25860483,0.494812127,0.464666785,0.440154389,5.480724924,8.097805186,16.8931289,0.422128773,1.399633301,3.078342327,1.237699468,0.530554605,0.635155493,0.255374982,0.413131834,0.354987253,0.257438498,4.8465964,6.099958509,12.9680012,0.45273324,1.025557586,3.440950459,1.461593827,0.734360897,0.610432559,0.259290121,0.516060529,0.493927718,0.492568516,5.636905183,8.629508771,17.95971462,0.415648839,1.502556763,3.382773534,1.419338542,0.694933673,0.615380277,0.258200242,0.498773581,0.465753811,0.44106958,5.497045749,8.13845024,16.97208163,0.423070415,1.405596973 +UMLRON0145,L,3-Ethylpentane,CCC(CC)CC,12048,,"Sandia, UML",[1],C7H16,PubChem,,65,0,-0.7606,0.57851236,33.6855,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1362.056143,1377.297103,1135.165085,638.87477,178.815168,18.289152,0,3947.642614,5029.877407,6581.332248,7047.588415,6597.333588,4918.116884,2402.602963,559.5073998,0,181.25648,180.900988,339.41734,440.1943,440.146868,435.285704,307.120896,120.932352,0,30.31423229,39.56609758,56.48150844,63.15070202,61.13785345,50.09140373,28.03475758,8.003032287,0,4342.872585,3643.766351,7578.921305,10352.68609,10341.75226,10706.89277,7939.753089,3328.517736,0,40.77777778,48.58333333,74.08333333,89.83333333,94,89,57,18,0,45.09238923,49.11105724,28.37616965,21.86185878,18.01849341,10.14086937,3.9736704,1.016064,0,151.8324082,201.1950963,137.1110885,111.8664828,104.7195808,78.06534737,53.39117695,31.08374443,0,6.971403077,7.23603952,7.071194583,6.987211111,6.986458222,6.909296889,6.8249088,6.718464,0,1.165932011,1.582643903,1.176698093,1.002392095,0.970442118,0.795101647,0.622994613,0.444612905,0,167.033561,145.7506541,157.8941939,164.3283506,164.1547978,169.9506789,176.4389575,184.917652,0,1.568376068,1.943333333,1.543402778,1.425925926,1.492063492,1.412698413,1.266666667,1,0,0.036732028,-0.006133106,-0.011606024,0.003532533,-0.008054322,-0.006857549,0.001295911,0.009456543,0,670.5194345,-58.02572029,-166.9134917,5.01456842,-237.1174496,-153.3025203,68.77122405,206.3136721,0,1246.859521,-107.9013047,-310.3827653,9.324804107,-440.9300228,-285.0725827,127.8830278,383.6490833,0,0.131350154,-0.01136684,-0.032697207,9.82E-04,-0.04644968,-0.030030911,0.013471811,0.040415432,0,5.574042193,-0.482369036,-1.387555375,0.041686213,-1.971162357,-1.274407083,0.571696635,1.715089906,0,30.27828566,-2.620236259,-7.537222819,0.226440171,-10.70738521,-6.922599499,3.105465196,9.316395587,0,3.017094017,-1.074128863,-0.820019724,0.561143984,-0.09270217,-0.272189349,-0.568047337,0.75739645,0,0.00141277,-2.45E-04,-2.42E-04,5.61E-05,-1.28E-04,-1.09E-04,2.88E-05,5.25E-04,0,25.78920902,-2.321028812,-3.47736441,0.079596324,-3.763769041,-2.433373338,1.528249423,11.46187067,0,47.95613541,-4.316052187,-6.46630761,0.148012764,-6.99888925,-4.52496163,2.841845061,21.31383796,0,0.005051929,-4.55E-04,-6.81E-04,1.56E-05,-7.37E-04,-4.77E-04,2.99E-04,0.002245302,0,0.214386238,-0.019294761,-0.028907404,6.62E-04,-0.031288291,-0.020228684,0.01270437,0.095282773,0,1.164549448,-0.10480945,-0.157025475,0.003594288,-0.169958495,-0.109882532,0.069010338,0.517577533,0,0.116042078,-0.042965155,-0.017083744,0.008907047,-0.001471463,-0.004320466,-0.012623274,0.042077581,0,-0.17364765,-0.171147549,0.039689364,-0.090493398,-0.077047187,0.020384086,0.371867595,0,-0.09,-0.134837963,0.00308642,-0.145943563,-0.094356261,0.059259259,0.444444444,0,-0.09,-0.134837963,0.00308642,-0.145943563,-0.094356261,0.059259259,0.444444444,0,-0.09,-0.134837963,0.00308642,-0.145943563,-0.094356261,0.059259259,0.444444444,0,-0.09,-0.134837963,0.00308642,-0.145943563,-0.094356261,0.059259259,0.444444444,0,-0.09,-0.134837963,0.00308642,-0.145943563,-0.094356261,0.059259259,0.444444444,0,-0.370254958,-0.147220255,0.076757048,-0.012680426,-0.03723189,-0.10878187,0.362606232,0,1.709748436,1.255238973,0.90320431,1.119944994,0.997706218,0.704242671,1.55E-08,0,1.625,1.316550926,1.00308642,1.14638448,0.93143739,0.601851852,0,0,1.625,1.316550926,1.00308642,1.14638448,0.93143739,0.601851852,0,0,1.625,1.316550926,1.00308642,1.14638448,0.93143739,0.601851852,0,0,1.625,1.316550926,1.00308642,1.14638448,0.93143739,0.601851852,0,0,1.625,1.316550926,1.00308642,1.14638448,0.93143739,0.601851852,0,0,1.979461756,1.021379249,0.67954944,1.008363685,1.117968434,1.104815864,0,0,37.55753691,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,37.55753691,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,37.55753691,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,37.55753691,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,37.55753691,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,37.55753691,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,45.91670503,22.86113029,33.35540026,45.77087169,5.721358962,22.86113029,-0.194444444,0.063377393,0.007922174,-2.206918446,27.90719191,3.488398989,2.663107544,0,11.89,12.11011416,-0.16903635,0.051416454,5.284176972,8.585129026,7,25,25,25,7,0,0,0,0,0,19.677726,3.547496606,3.095644743,2.902564078,2.430937305,1.936914777,1.598026915,1.378730131,0.895675055,1.939176041,1.670850977,1.563026335,1.239218042,0.942339425,0.769718516,0.643713924,0.346561785,3.573655674,3.136118768,2.950308951,2.491173128,2.015901025,1.695309721,1.486286383,1.025969325,1.881379222,1.590692337,1.473453684,1.133410318,0.817121444,0.630337185,0.496330364,0.184687206,3.689121125,3.311859847,3.155598408,2.747786254,2.345176837,2.090117344,1.917833899,1.533715745,1.712255118,1.346383519,1.195492746,0.797039565,0.406950703,0.162386152,0.00402419,0.376621571,3.592951089,3.165839402,2.985267979,2.53518086,2.073229048,1.765276817,1.563349475,1.118352427,1.844651038,1.5388752,1.415133181,1.063846602,0.733870512,0.536857124,0.397092637,0.074902837,3.745604252,3.395699434,3.252217518,2.866666098,2.493496762,2.26277616,2.104113247,1.746471688,1.659798258,1.26774713,1.104407163,0.684260419,0.264817635,0.004703131,0.185082511,0.58535839,3.566820943,3.242546399,3.106652036,2.647839166,2.176543578,1.874277641,1.665974741,1.228785683,1.855814227,1.450407129,1.283767308,0.927801169,0.598845771,0.397162369,0.26153494,0.065892726,0,0,0,0,0,3,4,1,0,0,0,0,0,0,0,0,0,0,0,0.204124145,0,0,0,0.204124145,0,0,0,0.552585858,0.637136847,0.288675135,0.552585858,0.637136847,0.288675135,6.405777394,3.846065215,2.471197119,1.851623963,1.105171716,0.40824829,0,0,0.800722174,0.549437888,0.35302816,0.264517709,0.221034343,0.204124145,0,0,6.405777394,3.846065215,2.471197119,1.851623963,1.105171716,0.40824829,0,0,0.800722174,0.549437888,0.35302816,0.264517709,0.221034343,0.204124145,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,6.82537037,0,5.507962963,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.262222222,0,1.353518519,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.281574074,0,1.423611111,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.666666667,0.2,2.281574074,0.2,1,6.028398148,0.333333333,0.281574074,1.650740741,0.333333333,0.281574074,1.650740741,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.375,0.125,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.55678,1.0696,8.55678,0,0,3.84606,0.48076,3.84606,0,0,0.06794,0.00849,0.06794,0.00849,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.420277698,2.88181616,2.950063756,2.694448682,23.15278265,34.39789514,62.92722016,74.92722016,76.70165767,70.05566573,0.189448582,0.281462171,0.514904529,0.613095015,0.627614422,0.573233324,3.809948078,3.377443751,2.28016202,1.818623558,1.750375962,2.005991036,0.191756937,0.284891675,0.521178434,0.620565332,0.635261652,0.580217942,6.648700044,11.83875197,15.48127572,15.94642574,16.01520737,12.94782648,31.72521615,24.13720728,22.27517352,20.88988165,20.81657342,16.67704054,8,5.142857143,3.673469388,8,0,6,2.34,1.2358,0.646330407,4.947300964,1.310370697,0,2.941682753,3.363585661,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.538,7,7,5,2,0,0,0,0,0,36,2.079441542,2.079441542,2.079441542,1.791759469,1.098612289,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,7,1,0,3,5,0.666666667,1.5,0.666666667,0.375,0.16,0,0,0,0,0,0,0.214285714,0.095238095,0.053571429,0.032,0,0,0,0,0,0,0.395095238,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,0,146.9243357,4,3.36729583,4.043051268,4.744932128,5.442417711,6.150602768,6.853299093,7.562681247,8.266935348,8.976514972,70.40773036,2.708050201,0,3.761200116,0,5.030437921,0,6.388561406,0,7.78113851,8.072467369,114.1408506,4.390032714,14.6658707,1.833233838,0,0,0,72,7,4.831,28,1.2278,2.11761443,2.867314105,3.535642274,4.192595966,4.989712438,6.628040739,0,0,0,71.2221278,68.08752346,70.35652891,72.14687259,51.18786586,23.56276632,6.734513586,0,0,0,272.5498825,313.605011,342.9384914,396.4365536,356.139448,294.5796762,206.0243244,0,0,0,8.919363223,15.02844115,20.08589362,24.7693506,29.04969728,34.18876624,44.5302531,0,0,0,2.081648384,2.634998592,3.010384415,3.597294944,3.522001361,3.333850224,2.946912447,0,0,0,176.77647,330.4239685,467.4711205,575.3980714,706.4092069,869.6715378,1225.641731,0,0,0,2.44583,3.360560698,4.185516642,5.403274775,6.098159913,6.657087708,6.628040739,0,0,0,0.4321989,0.557170835,0.642420151,0.771244323,0.76623773,0.740377391,0.678711372,0,0,0,390.9629591,174.901069,9.558501541,142.6825317,-63.83041344,-8.6679191,248.2804274,238.7314825,18.22642064,0.732626745,0.327747675,0.017911707,0.267373255,-0.119612017,-0.016242841,208.6356201,93.3351668,5.100851245,76.14188963,-34.06281231,-4.625595942,0.066759773,0.145652099,1.067771895,9.481763523,533.6454907,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,751.7055593,27.4172493,9.092484877,1.904241203,1.764330984,566.7375967,500.5117965,130.0229439,1.132316163,4.358750693,3.849411354,4.280903147,4.466158665,7.63628977,0.709811572,5.020210116,7.00510621,3.819058189,24.39434377,11.60890815,7.000494064,7.439062474,12.56563857,7.960317526,8.611440563,3.184614974,3.468104755,1.562544689,1.26780722,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311436,6.64190281,0.271348935,8.433148863,1.088135161,1.095008842,0.543307196,0.60095221,2.181247442,1.052197725,0.024886957,0.055740232,0.128005111,0.00892927,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.36004468,6.666176984,0.908339148,10.32903466,1.82492213,1.866554753,1.496222597,2.198018757,3.006691664,1.871159596,0.239386728,0.322456327,0.415277519,0.093049877,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668827,6.965231145,3.571031093,22.93533284,10.46576545,6.48546875,6.856067306,11.534172,7.481227302,7.8925275,2.838893341,3.107146077,1.472760611,1.129593408,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.00445563,6.697645914,1.371496392,12.03494671,2.749577362,2.525027614,2.285365706,3.545306614,3.678498752,2.648333933,0.51444898,0.633171096,0.614128249,0.202116767,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630795,7.172774538,4.772406117,30.34354084,16.40810584,9.081683872,9.780255152,16.72418371,9.876441377,11.56408163,4.637575143,4.97722063,1.897203098,1.84897768,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.145998298,6.021717001,2.174037903,14.52353689,4.826291347,3.692001165,3.73535275,5.590217255,5.217628734,4.781418987,1.156516672,1.367605751,1.110382886,0.456410599,1.29E-06,2.88E-33,1.23E-81,1.02E-151,1.63E-243,0,0,0,0,0,0,0,0,0,0,0,5.018402834,1.331081255,0.709546992,0.710919498,0.1885643,0.506886086,0.456144373,0.446321135,7.059031082,11.18515928,22.9838947,0.566379247,1.409351594,4.10575412,0.860326028,0.279985731,0.782634876,0.163994515,0.339297254,0.190864238,0.069477413,5.246065878,4.92271871,11.15777458,0.673952315,0.599638905,4.481876686,1.054350644,0.457069804,0.747814865,0.175921637,0.404297863,0.286467214,0.18518964,5.993297134,7.255911909,15.40907849,0.621722297,0.875954717,4.997136788,1.320113305,0.699542261,0.712168258,0.188136293,0.502598996,0.448674738,0.433823672,7.016792354,11.01597017,22.64749365,0.568252387,1.385097406,4.643583729,1.137760454,0.533180387,0.73538137,0.180181491,0.433996074,0.333488603,0.252010756,6.314524571,8.365785263,17.49725427,0.603072055,1.019495433,5.084573034,1.36520818,0.740675849,0.707127932,0.189863894,0.520342171,0.479779087,0.486340142,7.190457063,11.71869787,24.05055686,0.560691898,1.486461401,5.017897722,1.322663581,0.700544934,0.712657579,0.187848832,0.506781165,0.450218965,0.435108598,7.041106236,11.07883867,22.76945502,0.568986368,1.392108728 +UMLRON0146,L,3-Ethylhexane,CCCC(CC)CC,12096,,"Sandia, UML",[1],C8H18,PubChem,,33.5,0,1.9611,3.84591321,44.3682,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1811.945363,1609.182801,1025.099549,530.755682,135.295776,12.192768,0,4184.657049,5188.491512,6941.531225,6928.73748,5275.351979,3400.034448,1582.538586,373.0049332,0,148.486212,153.276228,258.0923,299.553156,295.86578,230.937608,165.234816,80.621568,0,30.43545486,38.46263172,53.83398791,56.49561099,46.4495312,32.07049675,17.36002377,5.335354858,0,3360.161029,2978.619777,5445.36734,6448.554114,6712.842402,5381.928943,4120.072605,2219.011824,0,43.80555556,53.16666667,77.27777778,86.83333333,75.5,55,34,12,0,62.40808843,68.74581643,50.33181564,38.31387621,24.40713212,16.08350552,5.637324,1.016064,0,199.2693833,247.0710244,192.8203118,164.96994,125.6036186,103.0313469,65.93910774,31.08374443,0,7.070772,7.298868,7.169230556,7.132218,7.044423333,6.998109333,6.884784,6.718464,0,1.449307374,1.831553891,1.495388553,1.345133595,1.105941219,0.971833235,0.723334324,0.444612905,0,160.0076681,141.839037,151.2602039,153.5370027,159.829581,163.0887558,171.6696919,184.917652,0,2.085978836,2.531746032,2.146604938,2.067460317,1.797619048,1.666666667,1.416666667,1,0,0.04601962,-3.58E-04,-0.005868395,-0.020339902,-0.007399644,-0.001911997,0.002718902,0.010149633,0,622.6251891,4.05E-13,56.82690218,-207.5417297,-224.8368739,-217.4246692,14.82440927,266.8393668,0,1157.798126,-5.68E-14,105.6720512,-385.9327088,-418.0937678,-404.3104568,27.56662205,496.199197,0,0.121968,1.87E-15,0.011132,-0.040656,-0.044044,-0.042592,0.002904,0.052272,0,5.175896322,1.00E-14,0.472403236,-1.725298774,-1.869073672,-1.807455859,0.123235627,2.218241281,0,28.11555097,4.40E-14,2.566101874,-9.371850323,-10.15283785,-9.81812891,0.66941788,12.04952184,0,4.216931217,-0.60978836,1.206160242,-1.497354497,-1.617724868,-0.86866969,-0.390778534,1.669690098,0,0.00219141,-1.71E-05,-1.63E-04,-4.84E-04,-1.76E-04,-5.79E-05,1.13E-04,8.46E-04,0,29.64881853,1.93E-14,1.578525061,-4.941469755,-5.353258901,-6.58862634,0.617683719,22.2366139,0,55.13324411,-2.71E-15,2.935334756,-9.188874018,-9.954613519,-12.25183202,1.148609252,41.34993308,0,0.005808,8.91E-17,3.09E-04,-9.68E-04,-0.001048667,-0.001290667,1.21E-04,0.004356,0,0.246471253,4.78E-16,0.013122312,-0.041078542,-0.044501754,-0.05477139,0.005134818,0.18485344,0,1.33883576,2.09E-15,0.071280608,-0.223139293,-0.241734235,-0.297519058,0.027892412,1.00412682,0,0.200806248,-0.029037541,0.033504451,-0.035651298,-0.038517259,-0.026323324,-0.016282439,0.139140842,0,-0.007788141,-0.074386328,-0.22099164,-0.080396618,-0.02643927,0.051696198,0.385962731,0,6.50E-16,0.053240741,-0.166666667,-0.180555556,-0.222222222,0.020833333,0.75,0,-4.91E-17,0.053240741,-0.166666667,-0.180555556,-0.222222222,0.020833333,0.75,0,1.53E-14,0.053240741,-0.166666667,-0.180555556,-0.222222222,0.020833333,0.75,0,1.94E-15,0.053240741,-0.166666667,-0.180555556,-0.222222222,0.020833333,0.75,0,1.56E-15,0.053240741,-0.166666667,-0.180555556,-0.222222222,0.020833333,0.75,0,-0.144604768,0.166849645,-0.177540778,-0.191813049,-0.131088172,-0.08108532,0.692910916,0,1.060870967,1.010933383,1.24386906,1.163921443,0.956712779,0.733849505,0.084749746,0,1.111111111,0.972222222,1.157407407,1.111111111,1.11952862,0.810185185,0,0,1.111111111,0.972222222,1.157407407,1.111111111,1.11952862,0.810185185,0,0,1.111111111,0.972222222,1.157407407,1.111111111,1.11952862,0.810185185,0,0,1.111111111,0.972222222,1.157407407,1.111111111,1.11952862,0.810185185,0,0,1.111111111,0.972222222,1.157407407,1.111111111,1.11952862,0.810185185,0,0,1.279799247,0.763017566,1.204516939,1.127666248,1.029998859,0.988080301,0,0,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,36.0445205,17.8821372,26.44963274,35.98759321,3.998621467,17.88213728,-0.102469136,0.342844979,0.038093887,-0.963429201,92.35480443,10.26164494,4.073073957,0,11.89,12.11013444,-0.155069761,0.065305538,5.526181955,8.44400789,9,21,18,15,3,3,0,0,0,6,13.118484,3.811285705,3.122192905,2.817988544,2.468695058,2.072430701,1.606108825,0.85823382,0.431113469,1.999248879,1.626172431,1.376660503,1.035030141,0.841567723,0.699412517,0.27320129,0.083923071,3.822315902,3.153465597,2.850918831,2.506318825,2.131695888,1.696155547,0.975778978,0.537848538,1.967623911,1.55023931,1.290717475,0.949607411,0.739807893,0.570594071,0.109579262,0.270913902,3.873057964,3.298046656,3.007379085,2.671558514,2.377566354,2.065162602,1.459663611,0.963169409,1.883696799,1.327955732,1.040485206,0.704660144,0.423834148,0.133013822,0.452074688,0.943918427,3.830551211,3.176937509,2.875860457,2.5340056,2.174588336,1.761195241,1.06113048,0.61483492,1.94837221,1.501799577,1.235856452,0.89581381,0.673822429,0.483694096,0.001108919,0.399277246,3.8993543,3.371419543,3.088935136,2.75248408,2.488997533,2.227257367,1.669945758,1.207644823,1.859817245,1.260502019,0.966140406,0.629643658,0.317553779,0.023797965,0.65654804,1.136002642,3.838881493,3.168751813,2.937162405,2.590658693,2.252841084,1.800435742,1.171115561,0.660313009,1.939430029,1.480848296,1.15240141,0.825365771,0.591649195,0.409096936,0.125147872,0.534653465,0,0,0,4,2,2,1,0,0,0,0,0,0.083333333,0.142258898,0,0,0,0.027777778,0.047419633,0.49279928,0,0,0,0.284517797,0,0,0,0.837103655,1.146659525,1.24013326,0.424376455,0.503923769,0.482896135,6.690234444,4.325698503,3.54605133,2.62234839,1.930516643,1.331224291,0.534517797,0.201184464,0.743359383,0.480633167,0.322368303,0.218529033,0.14850128,0.102401869,0.076359685,0.067061488,6.016507858,3.382027377,2.342606274,1.490732573,0.932061801,0.559962113,0.196901338,0.073304401,0.668500873,0.37578082,0.212964207,0.124227714,0.071697062,0.043074009,0.028128763,0.0244348,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,2.27702,39.46,36.7912283,50.73939382,73.58245661,8.175828512,36.7912283,0.054065423,0.006007269,-2.625804381,39.92247553,4.435830615,3.318245516,71,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,4,0,0,0,0,0,0,0,0,2,0,1,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.39324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.589444444,0,0.645277778,0,0,1.589444444,0,0,0,0,0,0,0,0,4.299537037,0,1.140555556,0,0,8.611435185,0,0,0,0,2.781805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.35587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.378819444,0,0.285972222,0,0,0.378819444,0,0,0,0,0,0,0,0,2.124166667,0,1.140555556,0,0,2.105324074,0,0,0,0,1.35587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.222222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40875,0,0.359305556,0,0,0.40875,0,0,0,0,0,0,0,0,2.17537037,0,1.140555556,0,0,2.222222222,0,0,0,0,1.425925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.83333333,1.87037037,0.40875,2.222222222,0.144097222,1.140555556,5.538328009,0.359444444,0.222222222,1.821944444,0.359444444,0.222222222,1.821944444,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.22222,0.22222,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.37176,0.59686,9.9286,4.55684,0.50632,2.3029,0.25588,4.32569,2.02278,0.22475,0.08831,0.00981,0.17431,0.01937,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.392317423,3.368042423,3.653756708,3.517816091,3.613054186,20.68979086,50.23866588,70.72889087,76.72889087,73.8741379,75.8741379,0.224307135,0.544659503,0.766803056,0.831851698,0.800902064,0.822584945,3.407089287,2,1.024275,0.738560714,0.874501332,0.779263237,0.214882485,0.521774698,0.734584508,0.79690002,0.767250788,0.788022625,6.75154531,17.86857762,23.03943292,23.32738293,23.19037858,24.33323572,33.82580122,24.64405706,17.536747,16.77850061,17.16610224,15.79906372,7.111111111,3.239669421,2,2,6,2,2.45,1.1391,0.2,3.516759154,1.807204007,0,4.941453946,6.26120069,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.395,11,12,13,13,7,3,0,0,0,77,2.564949357,3.068052935,3.504054767,3.944006051,4.328263187,3.840795496,3.056356895,0,0,0,5.583496309,3.441558442,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,3,0.333333333,0,3,5,0.666666667,2,0.666666667,0.5,0.342222222,0.0625,0,0,0,0,0,0.222222222,0.060606061,0.055555556,0.068444444,0.03125,0,0,0,0,0,0.438078283,20.13973017,29.36341876,40.27946033,4.475495593,20.13973017,0.079991382,0.008887931,-2.273252741,47.43521114,5.270579016,3.473428324,0,133.0544855,4.169925001,3.713572067,4.465908119,5.262690189,6.033086222,6.834108739,7.608374474,8.409830673,9.185125123,9.986495092,79.4991907,2.944438979,0,4.143134726,0,5.556828062,0,7.062191632,0,8.606851063,8.851090688,120.0939004,5.718757161,17.54944621,1.949938468,0,0,0,88,9,3.33,40,1.233966845,2.155024606,3.006602061,3.803575253,4.732338347,5.627310793,5.90603021,0,0,0,94.26734244,118.9857577,123.2933378,103.9474775,80.49995019,31.0266226,6.000904679,0,0,0,326.927337,443.7910469,519.2072207,512.2762041,506.2240303,365.8076947,183.5815336,0,0,0,9.036759105,15.50670926,21.49665094,26.88352142,33.18433047,38.71775749,39.67945135,0,0,0,2.379713299,3.389629213,4.186165788,4.425811404,4.731469263,4.028428089,2.625897248,0,0,0,173.1445827,321.9880536,457.8151978,601.3196506,766.6160736,968.0349704,1092.129239,0,0,0,3.215736753,4.804779339,6.364171796,7.065236819,8.049029972,7.909238475,5.90603021,0,0,0,0.489733493,0.704622443,0.878528449,0.940413619,1.018243483,0.890229874,0.604777493,0,0,0,273.3621505,126.6593352,10.3082173,97.67951143,-45.2587235,-5.035003642,175.682639,171.9180587,15.34322095,0.73674247,0.341361492,0.027781833,0.26325753,-0.121977471,-0.013569915,101.4287466,46.99589024,3.82477808,36.24316825,-16.79287198,-1.868196119,0.134438829,0.132225353,1.778489238,1.268284253,371.0416619,0,1,0,666.9778556,25.82591442,8.737163679,784.0715378,28.00127743,9.221153035,1121.219548,33.48461658,10.38875618,1.580629161,1.357998571,534.1249022,391.5036196,181.5358324,1.364291096,2.942256055,2.156618968,4.193560552,4.001863032,7.138102735,0.783694914,3.673559607,3.820518392,3.862882887,8.972241623,4.024349708,5.514497767,5.89076772,4.441774876,6.001203548,5.287974103,3.262359994,2.512684418,0.14850832,2.05E-06,5.47E-33,2.81E-81,2.78E-151,5.32E-243,0,0,0,0,0,0,0,0,0,0,0,0,0.30840601,3.820354267,0.296883239,4.738655281,0.964935454,1.295409127,0.493010609,0.874350095,0.825867472,0.347228098,0.091285455,0.017890989,0.001045956,1.44E-08,3.85E-35,1.98E-83,1.96E-153,3.75E-245,0,0,0,0,0,0,0,0,0,0,0,0,0.995305602,3.82036561,0.975724002,5.261440042,1.266618686,1.819692579,1.46562783,1.496204909,1.661726367,1.180477549,0.414936222,0.184915109,0.01089967,1.51E-07,4.01E-34,2.06E-82,2.04E-152,3.91E-244,0,0,0,0,0,0,0,0,0,0,0,0,3.467547315,3.820500505,3.627220631,8.592295399,3.722855627,5.137016168,5.514621264,4.185762722,5.606354308,4.923503233,2.953738395,2.238890124,0.132318239,1.83E-06,4.87E-33,2.50E-81,2.48E-151,4.74E-243,0,0,0,0,0,0,0,0,0,0,0,0,1.466840637,3.820379977,1.456292584,5.721678319,1.569563276,2.279635993,2.171655301,1.954661106,2.300999453,1.804516132,0.733205709,0.401183066,0.023675541,3.27E-07,8.71E-34,4.48E-82,4.44E-152,8.49E-244,0,0,0,0,0,0,0,0,0,0,0,0,4.436330396,3.820593517,4.75513867,10.51613572,5.270310901,7.047475801,7.335357244,5.432383889,7.55173713,6.707844232,4.535042443,3.663881474,0.216585427,2.99E-06,7.97E-33,4.10E-81,4.06E-151,7.77E-243,0,0,0,0,0,0,0,0,0,0,0,0,2.020537851,3.329195805,1.903437708,6.277355803,2.125103568,2.995191084,2.890802357,2.522860417,2.922713617,2.655470146,1.186350406,0.71898285,0.042451746,5.86E-07,1.56E-33,8.03E-82,7.96E-152,1.52E-243,0,0,0,0,0,0,0,0,0,0,0,0,4.600745398,2.14214627,0.425526081,0.641807657,0.298831115,0.599068656,0.456810161,0.322663013,7.168417749,12.72474586,24.08692296,0.462711485,1.37854183,3.121693706,1.385814711,0.163683872,0.668286277,0.296672589,0.278005386,0.191005115,0.047525802,4.67119229,5.063895494,10.44319879,0.502429416,0.516536304,3.637194514,1.652390951,0.255372643,0.655946257,0.297998816,0.375830319,0.272329934,0.115951367,5.544958109,7.360882725,14.44064761,0.483919385,0.76411162,4.555958106,2.119555077,0.417641918,0.642303466,0.298816965,0.58752452,0.44730985,0.310795719,7.093155101,12.44457826,23.57073604,0.463455199,1.345630089,3.894907513,1.784269202,0.301009507,0.651302045,0.298363485,0.430378631,0.317562076,0.161224383,5.980186222,8.659049702,16.73112061,0.476953067,0.90916509,4.744293368,2.214464607,0.450782977,0.640295181,0.29886664,0.6368365,0.487864128,0.36217723,7.409540952,13.64295938,25.78845773,0.460442772,1.486877858,4.554889737,2.123182148,0.417059345,0.641973994,0.299244944,0.587233755,0.448868357,0.310018183,7.09513123,12.45601286,23.58446687,0.462960992,1.346120294 +UMLRON0147,L,m-ethyltoluene,CCC1=CC=CC(=C1)C,12100,Sandia values from independent api report ,Sandia,,C9H12,PubChem,,101.8,0,-0.1907,0.03636649,25.3479,17.07193,0,0,17,7,10,0,5,0,2,0,0,0,0,0,0,0,1243.417247,1130.35521,1262.775798,1060.759697,744.434131,307.657897,78.738912,9.144576,0,2861.203507,3326.105375,3849.214114,3541.48044,2707.466718,1675.784234,874.9221648,279.7536999,0,131.590652,123.89952,216.4962,221.428316,191.1583,140.266468,83.016576,60.466176,0,19.67703705,23.5201631,29.09877861,27.31646409,20.78698781,14.2329069,9.348943289,4.001516144,0,2854.050872,2371.638531,4591.763082,4834.757802,4064.257244,3113.018667,2028.241198,1664.258868,0,86.52777778,50.25,85.41666667,83.91666667,85.5,50,18,9,0,73.142191,70.64720063,45.09913564,36.57792059,31.01808879,17.09210539,6.561576,1.016064,0,168.3060886,207.8815859,137.4719326,122.1200152,112.8111132,93.09912411,72.9101804,31.08374443,0,7.740626588,7.74372,7.732007143,7.635459172,7.964929167,7.792581556,6.918048,6.718464,0,1.157472768,1.470010194,1.039242093,0.941947038,0.866124492,0.79071705,0.779078607,0.444612905,0,167.8853454,148.2274082,163.9915386,166.7157863,169.3440518,172.9454815,169.0200999,184.917652,0,5.089869281,3.140625,3.050595238,2.893678161,3.5625,2.777777778,1.5,1,0,0.264469009,-0.154357089,0.034969424,0.017611981,-0.006290658,-0.036568843,0.001354781,0.011045898,0,629.8202065,-12.09745997,47.85605381,2.030288727,-283.8122875,-263.7712904,-30.09952586,224.9841179,0,780.5766247,-146.4197851,-39.17543734,-15.89410581,-217.2244316,-109.9554831,-132.6540497,271.0349803,0,1.881607059,-0.015005232,0.573891903,-0.332707571,-0.895370436,-0.722895945,0.190463253,0.260820498,0,3.424768994,-1.080059213,-0.205188776,-0.373622822,-0.523457603,0.311015424,-0.711379077,0.870307568,0,19.34959846,-6.628413839,-0.891443659,-2.729791524,-2.460118467,2.785370734,-3.978143926,4.227741453,0,36.4869281,-0.446847366,8.849961553,-4.861687812,-16.28056517,-11.96655133,1.852364475,4.609861592,0,0.015557001,-0.009647318,0.001248908,6.07E-04,-2.62E-04,-0.002031602,1.13E-04,0.001227322,0,37.04824744,-0.756091248,1.709144779,0.070009956,-11.82551198,-14.65396058,-2.508293822,24.99823533,0,45.91627204,-9.151236571,-1.399122762,-0.548072614,-9.051017984,-6.10863795,-11.05450414,30.11499781,0,0.110682768,-9.38E-04,0.020496139,-0.011472675,-0.037307101,-0.040160886,0.015871938,0.028980055,0,0.201457,-0.067503701,-0.007328171,-0.012883546,-0.021810733,0.017278635,-0.05928159,0.096700841,0,1.138211674,-0.414275865,-0.031837274,-0.094130742,-0.102504936,0.154742819,-0.331511994,0.46974905,0,2.146289889,-0.02792796,0.316070055,-0.167644407,-0.678356882,-0.664808407,0.154363706,0.512206844,0,-0.620127129,0.080279487,0.039037712,-0.016848411,-0.13059088,0.007257082,0.078891944,0,-0.020408287,0.046132945,0.001889697,-0.31919221,-0.395537214,-0.067703441,0.67474812,0,-0.199302691,-0.030471175,-0.011936348,-0.197120053,-0.13303863,-0.24075352,0.655867658,0,-0.008473107,0.185179136,-0.103653668,-0.337063322,-0.362846778,0.14340026,0.261829875,0,-0.335077465,-0.036375855,-0.063951839,-0.108264957,0.085768351,-0.294264234,0.480007352,0,-0.363970845,-0.027971312,-0.082700559,-0.090057885,0.135952584,-0.291256891,0.412707988,0,-0.013012203,0.147263451,-0.07810893,-0.316060233,-0.309747724,0.071921182,0.238647559,0,1.588213108,1.00375449,1.067114552,1.263096974,1.085143009,0.120030664,0.027763671,0,0.99899345,0.924401966,0.94489707,1.362000827,1.378672489,0.768892505,0,0,1.508256898,1.023287726,0.950105474,1.047963518,0.925993868,1.153646708,0,0,0.720275784,0.80377128,1.058805552,1.724335226,1.626421525,0.050416478,0,0,1.799320607,1.053865277,0.998618662,0.942760307,0.667270572,1.175465308,0,0,1.84360627,1.052146795,1.017184003,0.944997434,0.627905538,1.130134602,0,0,0.566412897,0.550316678,1.127155365,2.047156292,1.577429467,0.109628303,0,0,24.87008861,12.68504431,19.9076234,25.22723147,3.60389021,12.6850548,0.5,0.18655486,0.026650694,-1.17532095,23.44694617,3.349563739,2.208318181,24.87937819,12.68895468,19.91266062,25.23547188,3.605067411,12.68896512,0.498531158,0.186251781,0.026607397,-1.176459101,23.44591307,3.349416152,2.208287338,33.26408683,16.23304894,24.89948723,32.69409472,4.67058496,16.23304917,-0.797988956,0.072566896,0.010366699,-1.836272504,40.30367953,5.757668504,2.587509938,24.88912832,12.69305896,19.91794869,25.2441209,3.606302985,12.69306936,0.4969896,0.185933683,0.026561955,-1.177655648,23.44485459,3.349264941,2.208255735,42.34951804,20.09246476,31.13974607,40.80338338,5.829054768,20.09246476,-2.164588529,0.260832208,0.037261744,-0.940714572,31.01902284,4.431288977,2.404220459,25.84558723,13.0959278,20.44227845,26.09292178,3.727560254,13.09593445,0.346268372,0.1547693,0.0221099,-1.306073761,23.46859265,3.352656092,2.208964131,25.19617202,12.85777386,21.16589031,25.60679601,3.658113716,12.85778518,1.172698413,0.322950486,0.046135784,-0.791179383,27.65395846,3.950565494,2.323838217,0,11.99640053,15.99825848,-0.34958612,0.261199352,3.878932686,6.466382089,6,16,15,15,5,1,1,0,0,1,13.80607,3.520948033,3.031096698,2.605962958,2.05770581,1.332142787,1.08612832,0.083923071,0.083923071,1.795102369,1.45631953,1.247422046,0.732749818,0.402640613,0.083923071,0.083923071,0.083923071,3.431948383,2.956147805,2.579893396,2.016762904,1.404835946,0.634216743,0.270913902,0.270913902,1.7662401,1.453600588,1.177209478,0.70965242,0.403848775,0.270913902,0.270913902,0.270913902,3.610440844,3.21532654,2.854355582,2.368254866,1.860283663,1.255949921,0.943918427,0.943918427,1.555365012,1.132846243,0.847889163,0.300126487,0.108614761,0.943918427,0.943918427,0.943918427,3.426544647,2.940795793,2.60261339,2.022446622,1.46627792,0.465144215,0.399277246,0.399277246,1.760473264,1.444818654,1.134137037,0.693306882,0.333498727,0.399277246,0.399277246,0.399277246,3.636246235,3.266558008,2.942332254,2.457607379,2.033868232,1.209058028,1.207644823,1.207644823,1.515228414,1.082231629,0.754713496,0.214932351,0.270787192,1.207644823,1.207644823,1.207644823,4.781489065,3.307075707,3.218665513,2.484954646,1.874761962,1.601474845,0.576923077,0.576923077,1.647871753,1.105747056,0.941147513,0.358415157,0.150144358,0.576923077,0.576923077,0.576923077,0,0,1,0,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.49279928,0.40824829,0.204124145,0.100592232,0.083333333,0.041666667,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,4.730710143,2.377156753,1.326132613,0.681795046,0.306186218,0.102062073,0,0,0.675815735,0.396192792,0.221022102,0.136359009,0.102062073,0.102062073,0,0,9.138737228,17.10050983,16.3254902,16.6,9.953251497,131.4503174,0.537572778,1.005912343,0.960322953,0.976470588,0.585485382,7.73237161,0.9595,26.924,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,1,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.54125,-0.122685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.186527778,0.5125,0,0,0,0,0,0,0,0,0,0,3.342175926,0,1.405925926,0,0,0,0,0,0,-0.122685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18958333,4.351666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.351666667,-0.122685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305625,0.5125,0,0,0,0,0,0,0,0,0,0,1.400787037,0,0.538194444,0,0,0,0,0,0,-0.122685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18958333,4.351666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18958333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,1.941388889,0,0.867731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18958333,4.351666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.16666667,2.738095238,0.627083333,10.18958333,0.305625,-0.122685185,2.138774907,1.789351852,3.189583333,8.0825,1.789351852,3.189583333,8.0825,3.16666,0.45238,0,0.04762,0.5549,0.91905,0.42174,0.5549,0.91905,0.13316,0,-0.13316,0,0.49223,0.22206,0,0.42105,0.1579,0,5.25,0.75,3.75,0.53571,1.5,0.21429,-2.25,-0.32143,0,0,4.36463,0.62352,7.07892,2.71429,0.38776,2.18293,0.31185,3.30805,1.12513,0.16073,0.10595,0.01514,0.10595,0.01514,0,6.02,2,2,2,2,0,0,0.8,1.332820405,2.133387491,3.292770194,3.292770194,3.292770194,2.811892213,22.65794688,36.26758735,55.9770933,55.9770933,55.9770933,47.80216761,0.326075235,0.521934406,0.805578013,0.805578013,0.805578013,0.687930954,2.754642437,1.95407535,0.794692647,0.794692647,0.794692647,1.275570629,0.326075235,0.521934406,0.805578013,0.805578013,0.805578013,0.687930954,12.49498498,22.57177998,23.74023489,23.74023489,23.74023489,17.96969911,25.89308809,15.56333914,15.1628235,15.1628235,15.1628235,12.27755562,7,4.166666667,3.84,7,3,4,1.79,0.8875,0.2,1.807204007,0.816496581,0,1,1.414213562,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,2.859,6,5,3,1,0,0,0,0,0,28,2.079441542,2.197224577,2.079441542,1.609437912,0.693147181,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,26.3,109.9803765,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,102.0680796,6.00400468,12.66537523,1.809339318,5.076588817,5.076588817,0,50,5,1.063,24,1.2270625,2.096259626,2.853249131,3.612576602,4.799419847,5.786660393,6.79785035,0,0,0,96.90864932,104.5870248,114.5393082,131.7877546,92.72222853,41.39149278,6.907051018,0,0,0,275.0821314,308.6864297,372.1303277,450.3823656,479.1000958,447.7156263,211.302643,0,0,0,9.573754286,16.33886681,21.85566246,28.71305549,37.57296348,40.15554848,45.67111286,0,0,0,1.899056374,2.286851619,2.817367903,3.389831799,3.988599663,4.714646748,3.022411991,0,0,0,180.4501068,340.5600083,472.6879946,601.8967643,824.5692734,968.2522681,1257.042526,0,0,0,3.969661458,6.76594279,8.362783605,12.70276647,13.55793081,8.988517631,6.79785035,0,0,0,0.445526719,0.560401066,0.697316459,0.880903907,1.00273779,1.03312958,0.696099876,0,0,0,326.760848,227.5769963,12.8178012,178.9349483,-124.6216562,-22.19128003,147.8258997,352.1986524,35.00908124,0.646160894,0.450027463,0.025346861,0.353839106,-0.246436014,-0.043882667,165.2415872,115.0847303,6.481908185,90.48665115,-63.02064766,-11.22203703,0.375005191,0.45795864,2.688896919,8.033959553,445.0706748,60.62512149,0.880115433,0.119884567,523.9030215,22.88892792,8.061520593,620.7733823,24.91532425,8.530563018,838.8366415,28.9626767,9.4310301,2.092657649,2.092657649,444.4380703,395.769232,62.06900144,1.122972769,7.160386988,6.376278381,3.695696228,4.193003682,7.360793762,0.755494228,2.802231592,3.344511073,4.495959393,7.720095904,4.819498495,1.527745649,1.895117521,5.890390554,0.084439668,2.223140682,2.928966825,4.632195514,0.369242764,0.28803231,3.60E-18,8.68E-57,4.04E-117,3.62E-199,6.27E-303,0,0,0,0,0,0,0,0,0,0,0,0.2516794,3.49551831,0.440218135,2.862557834,0.26086558,1.072166457,0.25823193,0.344628877,0.016068422,0.197145891,1.142344276,0.09781656,0.002600846,0.002028635,2.54E-20,6.12E-59,2.84E-119,2.55E-201,4.41E-305,0,0,0,0,0,0,0,0,0,0,0,0.765034346,3.214432911,0.890389092,2.934106142,0.82953394,0.950704617,0.470868451,1.017747726,0.026092451,0.405352141,1.477462998,0.507466843,0.027100943,0.021139942,2.64E-19,6.37E-58,2.96E-118,2.66E-200,4.60E-304,0,0,0,0,0,0,0,0,0,0,0,2.650193139,3.495079447,5.238171074,8.145868913,4.661226363,1.756249746,2.070413405,5.744446239,0.082499636,2.546734059,2.809130529,4.172091108,0.32898882,0.256631602,3.21E-18,7.74E-57,3.60E-117,3.23E-199,5.58E-303,0,0,0,0,0,0,0,0,0,0,0,1.119938123,3.107627496,1.026614949,3.092585564,1.264263655,0.889595597,0.579832293,1.525913009,0.034317671,0.477340762,1.716291151,0.941864208,0.058866282,0.045918779,5.74E-19,1.38E-57,6.44E-118,5.78E-200,9.99E-304,0,0,0,0,0,0,0,0,0,0,0,3.384123505,3.439964249,6.350884155,10.18028057,6.536153916,1.865011639,2.516925799,8.024098703,0.101997215,3.167773692,3.384543849,6.542984811,0.538505091,0.420068054,5.25E-18,1.27E-56,5.89E-117,5.28E-199,9.14E-303,0,0,0,0,0,0,0,0,0,0,0,1.722265092,3.516072304,5.371151014,8.650479433,3.478527255,2.437156351,1.816290495,4.120963265,0.068277516,2.04414701,2.541164344,1.824018304,0.122899882,0.095868742,1.20E-18,2.89E-57,1.34E-117,1.21E-199,2.09E-303,0,0,0,0,0,0,0,0,0,0,0,5.714902966,0.678641378,0.391062371,0.842333713,0.100026635,0.568513672,0.508019371,0.470570081,6.784606714,6.378644229,14.67993536,0.76350057,1.547103124,3.9590054,0.554106551,0.065612924,0.864652389,0.121017656,0.272805006,0.337400685,0.013246802,4.578724875,2.4898293,7.212489958,0.796978583,0.623452492,4.812873642,0.515413747,0.197078865,0.871050609,0.093281372,0.403156192,0.29146613,0.119512232,5.525366254,3.530714067,9.544958337,0.806575914,0.814134554,5.541241986,0.696274301,0.366961376,0.839012904,0.105424583,0.53449885,0.53515795,0.414355364,6.604477663,6.147151951,14.16744895,0.758519357,1.484012165,5.222030484,0.521372797,0.26668865,0.868876973,0.086749554,0.474620049,0.298332936,0.218847364,6.010091931,4.254325108,10.99051013,0.803315459,0.99180035,5.791790065,0.708188001,0.411818664,0.837957233,0.102460768,0.583928802,0.55370287,0.521848338,6.911796729,6.778488509,15.37943206,0.75693585,1.659480009,5.571196367,0.702124957,0.370853144,0.83850844,0.105675274,0.540437739,0.548387689,0.423190768,6.644174468,6.238156947,14.33298876,0.75776266,1.512016196 +UMLRON0148,L,Methylbutanoate,CCCC(=O)OC,12180,"Co optima database valuese measured by NREL, source [9] from UML is unknown probably should use Sandia Sensitivity","Sandia, UML","[9], [11]",C5H10O2,UML,,107.2,0,-0.4787,0.22915369,28.2595,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1456.484335,1257.516426,941.19086,702.149539,307.657897,78.738912,9.144576,3346.887898,3979.09551,4762.761225,4548.278785,3714.265063,2647.928293,1675.784234,874.9221648,279.7536999,152.568096,145.6753,259.225708,284.313216,254.0432,203.05558,140.266468,83.016576,60.466176,23.35516286,28.53615172,36.78646875,36.33799295,29.80851667,21.85036128,14.2329069,9.348943289,4.001516144,3350.680532,2804.677982,5515.965281,6313.712957,5543.212399,4618.210326,3113.018667,2028.241198,1664.258868,90.77777778,55.5,94.66666667,96.08333333,94.41666667,70.5,50,18,9,69.4856748,68.35965826,42.83777456,33.09253753,28.52093515,26.00553848,17.09210539,6.561576,1.016064,167.3443949,209.4260795,140.0812125,119.691547,112.5534868,98.07141824,93.09912411,72.9101804,31.08374443,7.6284048,7.667121053,7.624285529,7.481926737,7.698278788,7.520577037,7.792581556,6.918048,6.718464,1.167758143,1.501902722,1.081954963,0.956262972,0.903288384,0.80927264,0.79071705,0.779078607,0.444612905,167.5340266,147.6146306,162.234273,166.150341,167.9761333,171.0448269,172.9454815,169.0200999,184.917652,4.538888889,2.921052632,2.784313725,2.528508772,2.861111111,2.611111111,2.777777778,1.5,1,0.268816445,-0.153994386,0.033723533,0.012855182,-0.033203037,0.035210379,-0.041159262,0.001119575,0.011039794,715.056216,-13.739645,-1.811537,15.127146,-265.926436,7.524355,-265.655591,-40.4064,207.36,931.2646053,-148.2416011,-122.4050951,-14.14884213,-215.6424858,19.16980356,-112.6110536,-135.6305065,263.877478,1.9334688,0.00145024,0.61979824,-0.22837152,-0.73811392,-0.27482048,-0.69360032,0.13789152,0.20903184,4.097118945,-1.072153629,-0.507085629,-0.369569819,-0.513715691,-0.093027659,0.323052972,-0.7061549,0.890094883,23.01673804,-6.548761719,-2.379522922,-2.664583803,-2.327152719,-0.957925282,2.907731573,-3.94163228,4.403478133,37.42222222,0.021111111,9.515555556,-2.624444444,-16.81333333,-2.02,-11.41333333,1.013333333,3.61,0.013440822,-0.008104968,9.92E-04,3.38E-04,-0.001006153,0.001304088,-0.002286626,9.33E-05,0.001226644,35.7528108,-0.723139211,-0.0532805,0.398082789,-8.058376848,0.278679815,-14.75864394,-3.3672,23.04,46.56323026,-7.80218953,-3.600149857,-0.372337951,-6.534620782,0.709992725,-6.256169643,-11.30254221,29.31971978,0.09667344,7.63E-05,0.01822936,-0.006009777,-0.022367088,-0.010178536,-0.038533351,0.01149096,0.02322576,0.204855947,-0.056429138,-0.014914283,-0.009725522,-0.015567142,-0.003445469,0.017947387,-0.058846242,0.098899431,1.150836902,-0.344671669,-0.069985968,-0.070120626,-0.070519779,-0.035478714,0.161540643,-0.328469357,0.489275348,1.871111111,0.001111111,0.279869281,-0.069064327,-0.509494949,-0.074814815,-0.634074074,0.084444444,0.401111111,-0.603011299,0.073795233,0.025169163,-0.074857967,0.097024429,-0.170125431,0.006941385,0.091262555,-0.02022608,-0.001490246,0.011134308,-0.225391421,0.007794627,-0.412796746,-0.094180008,0.644424857,-0.167561174,-0.077317442,-0.007996394,-0.140338648,0.015247927,-0.134358583,-0.242735355,0.629675382,7.90E-04,0.188566374,-0.062165749,-0.231367462,-0.105287826,-0.398592945,0.118863671,0.240249649,-0.275457653,-0.07280376,-0.047474929,-0.075990677,-0.016818984,0.087609794,-0.287256692,0.482775496,-0.299496539,-0.060813108,-0.060930116,-0.061276954,-0.030828621,0.140367973,-0.285417817,0.425147427,5.94E-04,0.149573844,-0.036910864,-0.272295401,-0.039984165,-0.338875693,0.045130641,0.214370546,1.585619858,0.990808619,0.982070968,1.154807917,0.950392762,1.283624986,0.141695555,0.032463407,1.04922138,0.985479586,0.923548675,1.231022269,0.934551671,1.442019494,0.804221444,0,1.505949528,1.108973627,0.963453038,1.036983297,0.832607538,0.921688511,1.148282892,0,0.713221749,0.778666028,0.946070606,1.463378121,1.155576195,1.879569967,0.058263676,0,1.749688453,1.136031594,1.002127101,0.963449418,0.827121207,0.662351159,1.16679926,0,1.787392882,1.130464694,1.012472645,0.959610384,0.838553501,0.626839151,1.128215268,0,0.558937055,0.532193133,1.003748515,1.79625081,1.091440684,1.826380641,0.126929929,0,34.47366876,17.48683438,27.8070297,34.84866876,4.356083595,17.48683448,0.5,0.195053505,0.024381688,-1.307585099,36.93847344,4.61730918,2.887402919,34.48338656,17.49095886,27.81216891,34.85728493,4.357160616,17.49095895,0.498531158,0.194811762,0.02435147,-1.308577207,36.97333131,4.621666413,2.888157502,43.27507067,21.23854086,32.78067123,42.67657895,5.334572369,21.23854086,-0.797988956,0.020387579,0.002548447,-3.114263564,35.33945622,4.417432027,2.852000064,34.49358618,17.49528789,27.81756372,34.86632838,4.358291048,17.49528799,0.4969896,0.19455804,0.024319755,-1.309619804,37.01009303,4.626261628,2.888952528,52.84789475,25.34165311,38.92953403,51.22445335,6.403056669,25.34165311,-2.164588529,0.221788591,0.027723574,-1.204824514,55.57043694,6.946304618,3.21412108,35.4943641,17.92031623,28.35085899,35.75406538,4.469258172,17.92031629,0.346268372,0.169691374,0.021211422,-1.419019153,41.81040823,5.226301028,2.986516247,35.97183543,18.19586867,30.15178041,36.41085494,4.551356868,18.19586873,1.173809524,0.310021599,0.0387527,-0.936890647,27.59601412,3.449501765,2.654137077,0,11.99635523,15.99825889,-0.349587576,0.261212252,3.957525958,6.780780077,7,19,18,18,6,1,1,0,0,1,15.992484,3.537876413,3.170020439,2.697857494,2.371136574,1.721015064,1.22439422,1.085602512,0.083923071,1.840994912,1.517651122,1.370326076,0.97285049,0.621196255,0.401210562,0.083923071,0.083923071,3.472008622,3.094283232,2.68820384,2.320433142,1.74003561,1.322024143,0.634216704,0.270913902,1.801064878,1.524568069,1.291016274,0.926552561,0.566176758,0.377659035,0.270913902,0.270913902,3.63523993,3.32508598,2.95607712,2.619366856,2.129097359,1.793102774,1.255949895,0.943918427,1.602170137,1.24096815,0.959741911,0.568071822,0.111633135,0.149582939,0.943918427,0.943918427,3.474404722,3.078865987,2.710719651,2.326903773,1.771622734,1.396594448,0.465144215,0.399277246,1.786188222,1.525061983,1.239522867,0.902288896,0.522919663,0.291408631,0.399277246,0.399277246,3.668547429,3.364014037,3.050453384,2.695529253,2.259283092,1.982580949,1.209058028,1.207644823,1.557193468,1.200200868,0.864546982,0.488416367,0.008083644,0.329804131,1.207644823,1.207644823,4.8581135,3.386334447,3.279458795,2.795506864,2.118509674,1.826946331,1.528150951,0.590163934,1.711429301,1.228488219,1.022565563,0.632269872,0.226329472,0.175602849,0.590163934,0.590163934,0,0,1,0,0,1,3,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.49279928,0.348461713,0.288675135,0.100592232,0.071129449,0.058925565,6.405777394,3.808060412,2.655648531,1.747400241,0.756710003,0.49279928,0.144337567,0,0.800722174,0.54400863,0.379378362,0.291233373,0.189177501,0.164266427,0.144337567,0,5.437816924,2.877156753,1.679686004,0.962125132,0.423176335,0.216506351,0.072168784,0,0.679727116,0.411022393,0.239955143,0.160354189,0.105794084,0.072168784,0.072168784,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.3496,31.541,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,63,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.76180556,-0.104768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.459027778,0.5125,0,0,0,0,0,0,0,0,0,0,3.459259259,0,2.55037037,0,0,0,0,0,0,-0.104768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.34847222,4.413333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.413333333,-0.104768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2725,0.5125,0,0,0,0,0,0,0,0,0,0,1.414675926,0,0.5625,0,0,0,0,0,0,-0.104768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.34847222,4.413333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.34847222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,2.044583333,0,1.050694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.34847222,4.413333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.66666667,2.583333333,0.592361111,10.34847222,0.2725,-0.104768519,2.73845088,1.771435185,3.348472222,8.612777778,1.771435185,3.348472222,8.612777778,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.36364,0.13636,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,5.60474,0.70059,8.4771,2.87236,0.35905,2.68293,0.33537,3.80805,1.12513,0.14064,0.10595,0.01324,0.10595,0.01324,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,2.070950594,3.346439345,3.546439345,3.546439345,3.33034294,25.90923688,41.41901189,66.92878689,70.92878689,70.92878689,66.6068588,0.299741647,0.479172848,0.774293156,0.820568799,0.820568799,0.770568799,3.026466251,2.2509775,0.97548875,0.77548875,0.77548875,0.991585155,0.299741647,0.479172848,0.774293156,0.820568799,0.820568799,0.770568799,12.01211119,21.71746765,24.10215464,24.30371965,24.30371965,21.71056279,29.38046565,17.93632218,16.22221018,15.69343894,15.69343894,14.39686051,8,5.142857143,5,8,3,5,1.9,1.0284,0.166666667,2.249576847,0.707106781,0,2.381101578,1.650963624,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,3.358,7,6,4,3,1,0,0,0,0,36,2.197224577,2.302585093,2.197224577,1.791759469,1.609437912,0.693147181,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.666666667,0.25,0.16,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.041666667,0.04,0.018518519,0,0,0,0,0,0.409708995,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,26.3,127.2763612,4,3.36729583,4.007333185,4.691347882,5.361292166,6.052089169,6.72982407,7.422373701,8.102586425,8.795582217,69.52972465,2.708050201,0,3.761200116,0,4.990432587,0,6.289715571,0,7.623153068,7.934871566,116.0837296,5.804186481,14.66013744,1.832517181,5.1060516,5.1060516,0,76,6,1.632,28,1.230631579,2.107673195,2.859055387,3.616071658,4.838164536,5.840062305,7.073539645,7.877375406,0,0,94.58963281,99.82155581,105.7335021,123.8528691,142.572044,112.1951945,48.97326296,8.003917565,0,0,279.0386343,316.0810647,368.754594,459.0242796,511.5456724,584.9137675,535.0392795,244.8583239,0,0,9.500427541,16.17938249,21.45586429,27.84860026,36.59642329,45.66402062,49.02721069,52.92386308,0,0,1.953218228,2.394720564,2.881442418,3.591752275,4.114840429,4.883662578,5.665225948,3.502382762,0,0,180.0610686,338.6270042,471.7892784,595.908366,820.8864407,1001.411937,1188.232392,1456.665764,0,0,3.698964912,6.17209819,7.325112696,10.233935,13.03662355,16.25982411,10.84109925,7.877375406,0,0,0.448387105,0.569263371,0.687828142,0.879873216,1.033050065,1.224112772,1.242746661,0.806643242,0,0,355.0165614,266.2241722,13.12167706,180.5634305,-135.4031193,-22.28271089,174.4531309,401.6272915,35.40438796,0.662863749,0.497076396,0.024499939,0.337136251,-0.252815866,-0.041604823,190.1397671,142.58434,7.027707696,96.70616062,-72.51920152,-11.93417412,0.348299358,0.425329574,2.234523202,7.619016224,478.3581724,57.22181944,0.893159154,0.106840846,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,955.6066687,30.91288839,9.849776829,2.417165256,2.417165256,692.5795107,640.051216,69.25769098,1.082068893,10.00003755,9.241590457,4.117114555,4.466158665,8.55760444,0.916099512,3.360032699,4.293028381,4.792292331,12.56268234,6.631361595,1.551831616,3.011158561,9.152542768,3.291608822,1.350421407,3.564836231,1.422437904,2.326983706,0.865084683,0.202466423,1.716146588,6.33E-09,5.38E-39,8.83E-91,2.79E-164,1.70E-259,0,0,0,0,0,0,0,0,0,0.298491782,4.443993512,0.46233507,3.875032781,0.273783997,1.072351495,0.407806532,0.443218613,2.141757678,0.082902404,2.033475618,0.049483718,0.174608832,0.006135767,0.016990752,0.012086961,4.46E-11,3.79E-41,6.22E-93,1.97E-166,1.20E-261,0,0,0,0,0,0,0,0,0,0.91615042,4.162911006,0.96359878,4.20574845,0.962918617,0.952486753,0.817731138,1.397788137,1.65374035,0.282612918,1.899994883,0.1993608,0.514037625,0.063543877,0.054848781,0.12595545,4.64E-10,3.95E-40,6.48E-92,2.05E-165,1.25E-260,0,0,0,0,0,0,0,0,0,3.176711882,4.44359216,5.515990118,12.56908593,6.275672087,1.777711597,3.127292194,8.808608591,3.8463379,1.263686588,3.969288836,1.30719882,2.15993589,0.770783663,0.191111201,1.529055713,5.64E-09,4.80E-39,7.87E-91,2.49E-164,1.52E-259,0,0,0,0,0,0,0,0,0,1.342655413,4.056109269,1.136347355,4.69732079,1.553605878,0.893448463,1.062123596,2.175748014,1.464978649,0.434254741,1.87245533,0.337170646,0.776695412,0.137966132,0.080837579,0.273592068,1.01E-09,8.58E-40,1.41E-91,4.45E-165,2.72E-260,0,0,0,0,0,0,0,0,0,4.057749124,4.38850086,6.717726121,16.78553502,9.178072843,1.900131662,3.852013332,12.65890384,4.225164046,1.741758296,4.34436557,1.960620932,2.985883235,1.261605186,0.244510305,2.502838512,9.23E-09,7.85E-39,1.29E-90,4.07E-164,2.49E-259,0,0,0,0,0,0,0,0,0,2.093644793,4.422614834,5.769106794,11.17229104,4.271280011,2.558679253,2.508138887,6.582336094,7.193357779,0.734274704,4.283001011,0.612245187,1.392942182,0.301372981,0.141031609,0.597722649,2.20E-09,1.87E-39,3.07E-91,9.73E-165,5.94E-260,0,0,0,0,0,0,0,0,0,7.289657472,0.742593322,0.414987615,0.862963387,0.087909597,0.544514367,0.510306568,0.499981437,8.447238409,8.746535559,19.44020607,0.794445081,1.554802371,5.686621568,0.529095171,0.072022644,0.904398421,0.084147122,0.331659653,0.261190461,0.015059888,6.287739383,3.456436366,9.960874889,0.856597631,0.607910001,6.398267095,0.543709836,0.210524282,0.8945496,0.076016742,0.419573336,0.274330077,0.128673169,7.152501212,4.940255457,12.8251287,0.841824399,0.822576582,7.162397608,0.750004846,0.391942828,0.862487934,0.090314747,0.525710905,0.52117991,0.445994038,8.304345282,8.473042312,18.88283898,0.793731901,1.492884853,6.746607283,0.572286878,0.281990891,0.887608119,0.075292137,0.466421831,0.30322226,0.230862698,7.600885052,5.924856303,14.61450672,0.831412178,1.000506789,7.379276047,0.773936064,0.437491478,0.858983897,0.090089951,0.557985208,0.554294348,0.555677491,8.590703589,9.278048678,20.36730454,0.788475845,1.667957046,7.178970891,0.757029895,0.395511045,0.86166485,0.090863448,0.528263702,0.532397609,0.454151592,8.331511831,8.573471548,19.05446551,0.792497275,1.514812904 +UMLRON0149,L,"Pentanoic acid, methyl ester",CCCCC(=O)OC,12206,RON/MON from [11],"Sandia, UML",[11],C6H12O2,PubChem,,103.4,0,1.3195,1.74108025,28.913,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,913.087565,683.062635,464.209538,157.477824,18.289152,0,0,2914.106344,3494.423905,4149.471199,3813.952988,2898.117216,1749.84433,559.5073998,0,0,125.864664,123.114164,211.6517,218.7219,228.5426,166.033152,120.932352,0,0,22.06875486,27.30703172,35.0937937,34.19448944,28.05690832,18.69788658,8.003032287,0,0,2979.777961,2471.442353,4779.986516,4922.175239,5572.699569,4056.482397,3328.517736,0,0,33.02777778,39,54.16666667,56.66666667,48,36,18,0,0,48.76541633,50.97680359,30.43625217,22.03427855,14.0669557,6.561576,1.016064,0,0,161.8947969,205.5543474,138.3157066,123.0307416,87.82173382,72.9101804,31.08374443,0,0,6.992481333,7.242009647,7.055056667,7.055545161,6.925533333,6.918048,6.718464,0,0,1.226041937,1.606295984,1.169793123,1.103048046,0.850209343,0.779078607,0.444612905,0,0,165.54322,145.3789619,159.3328839,158.7798464,168.8696839,169.0200999,184.917652,0,0,1.834876543,2.294117647,1.805555556,1.827956989,1.454545455,1.5,1,0,0,0.034016318,6.04E-04,-0.006571439,-0.024765097,0.008528589,-0.006292357,0.011487932,0,0,484.264036,-53.80711511,1.53E-13,-269.0355756,-2.74E-13,-161.4213453,242.132018,0,0,900.5096538,-100.0566282,2.20E-13,-500.283141,-2.63E-13,-300.1698846,450.2548269,0,0,0.094864,-0.010540444,5.72E-16,-0.052702222,-5.63E-16,-0.031621333,0.047432,0,0,4.025697139,-0.447299682,1.33E-15,-2.236498411,-1.33E-15,-1.341899046,2.01284857,0,0,21.86765075,-2.429738973,2.58E-14,-12.14869486,-3.11E-14,-7.289216918,10.93382538,0,0,3.211419753,-1.053069273,1.112139918,-2.668124143,0.987397119,-1.467078189,1.483024691,0,0,0.001889795,3.55E-05,-2.19E-04,-7.99E-04,2.58E-04,-2.62E-04,6.38E-04,0,0,26.90355756,-3.165124418,5.09E-15,-8.678566953,-8.29E-15,-6.725889389,13.45177878,0,0,50.0283141,-5.885684011,7.34E-15,-16.13816584,-7.97E-15,-12.50707852,25.01415705,0,0,0.005270222,-6.20E-04,1.91E-17,-0.001700072,-1.71E-17,-0.001317556,0.002635111,0,0,0.223649841,-0.026311746,4.44E-17,-0.07214511,-4.04E-17,-0.05591246,0.111824921,0,0,1.214869486,-0.142925822,8.59E-16,-0.391893383,-9.42E-16,-0.303717372,0.607434743,0,0,0.178412209,-0.061945251,0.037071331,-0.086068521,0.029921125,-0.061128258,0.082390261,0,0,0.018807272,-0.115910946,-0.422730447,0.136756647,-0.138735405,0.337718277,0,0,-0.117647059,1.89E-16,-0.322580645,-3.08E-16,-0.25,0.5,0,0,-0.117647059,1.47E-16,-0.322580645,-1.59E-16,-0.25,0.5,0,0,-0.117647059,3.62E-15,-0.322580645,-3.24E-15,-0.25,0.5,0,0,-0.117647059,1.99E-16,-0.322580645,-1.81E-16,-0.25,0.5,0,0,-0.117647059,7.07E-16,-0.322580645,-7.75E-16,-0.25,0.5,0,0,-0.347202985,0.207784719,-0.482413852,0.167707833,-0.342623739,0.461797213,0,0,1.284960032,1.309181463,1.642448455,0.670434642,0.78176079,0.004318407,0,0,1.5,1.0625,1.370967742,0.837121212,1.0625,0,0,0,1.5,1.0625,1.370967742,0.837121212,1.0625,0,0,0,1.5,1.0625,1.370967742,0.837121212,1.0625,0,0,0,1.5,1.0625,1.370967742,0.837121212,1.0625,0,0,0,1.5,1.0625,1.370967742,0.837121212,1.0625,0,0,0,1.764536281,0.718068236,1.664925362,0.548075663,1.32340221,0,0,0,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,21.14453912,10.53245474,16.12985288,21.0914527,3.515242116,10.53251867,-0.07962963,0.159026208,0.026504368,-1.103211757,18.92599419,3.154332364,1.764321799,0,11.89,12.11007471,-0.17326705,0.049670123,5.214369888,7.378696616,5,17,16,16,4,1,1,0,0,1,13.118484,3.532959885,2.941834607,2.333552793,2.120755613,1.401922417,0.354682903,0.083923071,0.083923071,1.87177014,1.569635374,1.249629723,1.006050198,0.569007432,0.083923071,0.083923071,0.083923071,3.553546526,2.986235002,2.405454588,2.187757642,1.498877166,0.480315977,0.270913902,0.270913902,1.817909022,1.482975783,1.134540686,0.891919666,0.430272234,0.270913902,0.270913902,0.270913902,3.648008463,3.179027368,2.704236987,2.471606288,1.892477614,0.959218208,0.943918427,0.943918427,1.667637597,1.216833856,0.76031856,0.525715552,0.035522772,0.943918427,0.943918427,0.943918427,3.568923451,3.018851683,2.457539916,2.236638709,1.56863582,0.569019741,0.399277246,0.399277246,1.784308846,1.426769086,1.058262671,0.816632916,0.337249574,0.399277246,0.399277246,0.399277246,3.696339941,3.270769598,2.838982085,2.601986593,2.064456247,1.207644823,1.207644823,1.207644823,1.623463591,1.130673224,0.631337262,0.401629124,0.202022445,1.150770408,1.207644823,1.207644823,3.573162445,3.047259858,2.558732663,2.32544852,1.612346658,0.637303186,0.537313433,0.537313433,1.768167991,1.375024602,0.946792365,0.722269638,0.25543157,0.537313433,0.537313433,0.537313433,0,0,0,1,1,3,1,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.288675135,0,0,0,0.288675135,0.288675135,0,0.204124145,0.204124145,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.78445705,2.404030206,1.689722705,0.612372436,0.40824829,0,0,0,0.797409508,0.480806041,0.337944541,0.204124145,0.204124145,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,2,3,0,1,0,0,0,0,0,0,0,0,3,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.622685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.533680556,0.870833333,0,0.304166667,0,0,0,0,0,0,0,0,6.375,0,1.168981481,0,2.208333333,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.243402778,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.114583333,0,1.168981481,0,2.208333333,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.208333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.290277778,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.145833333,0,1.168981481,0,2.208333333,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.16666667,1.861111111,0.304166667,2.208333333,0.081597222,1.168981481,3.736358796,0.331018519,0.208333333,1.166666667,0.331018519,0.208333333,1.166666667,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.70728,0.78455,5.69868,0.9914,0.16523,2.17869,0.36312,2.77005,0.59135,0.09856,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.94471679,2.821888196,2.821888196,2.590225695,1.895238195,16.52932501,35.00490222,50.79398752,50.79398752,46.62406252,34.11428751,0.220218789,0.46636733,0.676723969,0.676723969,0.621168413,0.454501746,3.251629167,2.225208211,1.348036806,1.348036806,1.579699306,2.274686806,0.220218789,0.46636733,0.676723969,0.676723969,0.621168413,0.454501746,6.73287657,16.01742989,16.90146519,16.90146519,14.12151519,8.328139924,23.69925001,14.79422358,15.1849632,15.1849632,13.7949882,10.7833757,6,3.2,5.333333333,6,2,5,2.12,0.911,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,2.685,5,3,2,0,0,0,0,0,0,21,1.945910149,2.197224577,1.945910149,1.609437912,0,0,0,0,0,0,3.433987204,1.428571429,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,109.6959078,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,84.09390038,4.671883355,10.67917749,1.779862916,0,0,0,32,3,2.836,20,1.206259122,2.08509399,2.980430263,3.676034759,4.55708542,5.535966931,0,0,0,0,71.93041403,74.03953854,73.78448234,61.76493723,33.15683094,5.624896703,0,0,0,0,272.3425848,319.1515843,389.321486,354.4987615,356.809684,172.0785812,0,0,0,0,8.769144113,14.7823285,21.07770908,25.54214278,31.6432898,37.19319453,0,0,0,0,2.069946742,2.628457918,3.424091745,3.327629067,3.7466563,2.461362338,0,0,0,0,173.2850161,327.0233472,469.7295974,614.5807573,760.9073043,1023.698006,0,0,0,0,2.867216749,3.979578676,5.579999973,5.582260562,7.129123899,5.535966931,0,0,0,0,0.429393923,0.554228873,0.729332928,0.718373635,0.820558042,0.566883014,0,0,0,0,327.4948026,115.4274742,9.191838097,123.5617516,-43.5500679,-6.996456892,203.933051,158.9775421,16.18829499,0.726061509,0.25590466,0.02037846,0.273938491,-0.096551236,-0.015511263,147.7186772,52.06431875,4.146038818,55.7333379,-19.64354356,-3.155797737,0.16210967,0.242711593,3.435577639,2.824192347,451.0565542,0,1,0,333.0274214,18.24903892,6.93149102,453.2676906,21.29008432,7.681598215,495.6352458,22.26286697,7.913842344,1.637975212,1.586085,335.0315457,276.4250669,71.37282347,1.212015789,4.694105255,3.872973682,3.744872052,3.448729143,6.570043365,0.905062153,4.927880111,4.077851464,1.860615371,10.57002395,5.73974167,6.274260226,3.593310961,5.557626925,6.29210537,2.382208192,2.436480519,1.224656042,1.87E-08,5.52E-38,3.14E-89,3.44E-162,7.27E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,0.413567715,4.070861168,0.151725959,4.874466549,1.176375093,0.333551855,0.551364916,1.18246578,1.227212568,0.032861087,0.066750351,0.008625353,1.32E-10,3.89E-40,2.21E-91,2.42E-164,5.12E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,1.335035117,4.071328381,0.492704066,5.433174741,1.724594798,1.203547833,1.038509633,1.734775108,1.940066389,0.21616094,0.306230237,0.089882825,1.37E-09,4.05E-39,2.30E-90,2.52E-163,5.34E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,4.651517141,4.077084029,1.753223914,10.00771451,5.324790698,5.789363437,3.359757803,5.169235098,5.868477527,2.13357871,2.205005946,1.091146485,1.67E-08,4.92E-38,2.79E-89,3.06E-162,6.48E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,1.9675936,4.07193405,0.729103493,5.996013833,2.214728475,1.902506515,1.412641653,2.215095163,2.524729372,0.429953888,0.543143374,0.195237506,2.98E-09,8.80E-39,5.00E-90,5.48E-163,1.16E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,5.951127798,4.0810784,2.261387801,12.89456525,7.430064864,8.207240631,4.511789889,7.132539785,7.98954601,3.421768481,3.391628965,1.786045742,2.73E-08,8.05E-38,4.57E-89,5.02E-162,1.06E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,2.731595663,3.729655817,0.9357064,7.010334756,2.781479764,2.8960403,1.742452205,2.769810912,3.508149992,0.748153278,0.889650182,0.353565211,5.40E-09,1.59E-38,9.06E-90,9.93E-163,2.10E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,4.317176364,1.430333038,0.351867312,0.707806152,0.234504787,0.606749052,0.550670465,0.444440241,6.099376714,8.197360667,16.46951803,0.561709229,1.601859758,3.212618073,0.773684639,0.075857044,0.790864532,0.190461401,0.33581746,0.160883614,0.020656054,4.062159756,2.787942394,7.038648873,0.686296798,0.517357128,3.65127971,1.034517133,0.185479364,0.749553003,0.212370863,0.433877949,0.287850238,0.123494245,4.871276206,4.646430033,10.21831956,0.624329505,0.845222432,4.289827579,1.414079307,0.345034076,0.709186551,0.233773038,0.599078842,0.538212975,0.427345863,6.048940962,8.034198651,16.17617028,0.563779827,1.56463768,3.846824287,1.15076588,0.234342543,0.735258747,0.219950436,0.481639342,0.356267323,0.197132307,5.231932711,5.597942127,11.86726104,0.60288812,1.035038972,4.40279894,1.481218296,0.373260352,0.703628516,0.236719288,0.631078589,0.590592916,0.500125788,6.257277587,8.717776684,17.40927402,0.555442773,1.721797294,4.293077157,1.415115509,0.344811758,0.709247319,0.233787291,0.600006755,0.539038745,0.426795332,6.053004425,8.043452017,16.19125686,0.563870978,1.565840833 +UMLRON0150,L,2-Methyl-2-Pentene,CCC=C(C)C,12243,,"Sandia, UML",[1],C6H12,PubChem,,97.8,0,2.1291,4.53306681,34.3705,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1227.862111,935.274484,777.037636,296.666496,36.578304,0,0,3399.790734,4147.41404,5288.145724,5239.015693,4232.892569,2940.181259,1119.0148,0,0,146.842108,144.889944,254.404924,283.60264,331.362832,211.133952,241.864704,0,0,25.74688067,32.32302034,43.78790813,46.56067532,40.08360749,29.39274087,16.00606457,0,0,3476.407621,2904.481805,5709.655628,6242.154872,8198.422653,4784.447057,6657.035473,0,0,38.55555556,45.33333333,65.22222222,76.66666667,68,54,36,0,0,48.76541633,51.7541979,34.10728086,23.3818621,16.18828408,9.8888832,1.016064,0,0,161.8947969,207.370702,146.8929368,130.9753923,88.18526186,98.00604198,31.08374443,0,0,6.992481333,7.2444972,7.066803444,7.090066,6.903392333,7.0377984,6.718464,0,0,1.226041937,1.616151017,1.216330781,1.164016883,0.835075156,0.979758029,0.444612905,0,0,165.54322,145.2240902,158.6015452,156.0538718,170.8004719,159.4815686,184.917652,0,0,1.835978836,2.266666667,1.811728395,1.916666667,1.416666667,1.8,1,0,0,0.037102359,-0.00205444,0.002570799,-0.036826177,0.020889496,-0.026361094,0.023230237,0,0,564.9747087,-53.80711511,80.71067267,-470.8122572,242.132018,-564.9747087,484.264036,0,0,1050.594596,-100.0566282,150.0849423,-875.4954967,450.2548269,-1050.594596,900.5096538,0,0,0.110674667,-0.010540444,0.015810667,-0.092228889,0.047432,-0.110674667,0.094864,0,0,4.696646663,-0.447299682,0.670949523,-3.913872219,2.01284857,-4.696646663,4.025697139,0,0,25.51225921,-2.429738973,3.644608459,-21.26021601,10.93382538,-25.51225921,21.86765075,0,0,3.841269841,-1.74829932,2.589569161,-4.639455782,3.346938776,-4.408163265,2.93877551,0,0,0.001766779,-1.03E-04,7.14E-05,-9.21E-04,4.35E-04,-8.79E-04,6.45E-04,0,0,26.90355756,-2.690355756,2.24196313,-11.77030643,5.044417042,-18.83249029,13.45177878,0,0,50.0283141,-5.00283141,4.169026175,-21.88738742,9.380308893,-35.01981987,25.01415705,0,0,0.005270222,-5.27E-04,4.39E-04,-0.002305722,9.88E-04,-0.003689156,0.002635111,0,0,0.223649841,-0.022364984,0.018637487,-0.097846805,0.041934345,-0.156554889,0.111824921,0,0,1.214869486,-0.121486949,0.101239124,-0.5315054,0.227788029,-0.85040864,0.607434743,0,0,0.182917611,-0.087414966,0.071932477,-0.115986395,0.069727891,-0.146938776,0.081632653,0,0,-0.058140822,0.0404188,-0.52109202,0.246322736,-0.497347514,0.365232071,0,0,-0.1,0.083333333,-0.4375,0.1875,-0.7,0.5,0,0,-0.1,0.083333333,-0.4375,0.1875,-0.7,0.5,0,0,-0.1,0.083333333,-0.4375,0.1875,-0.7,0.5,0,0,-0.1,0.083333333,-0.4375,0.1875,-0.7,0.5,0,0,-0.1,0.083333333,-0.4375,0.1875,-0.7,0.5,0,0,-0.477892562,0.393250689,-0.634090909,0.381198347,-0.803305785,0.446280992,0,0,1.382211563,1.109446376,1.854879538,0.603575371,1.303377982,0.004098899,0,0,1.5,1.011904762,1.553571429,0.625,1.714285714,0,0,0,1.5,1.011904762,1.553571429,0.625,1.714285714,0,0,0,1.5,1.011904762,1.553571429,0.625,1.714285714,0,0,0,1.5,1.011904762,1.553571429,0.625,1.714285714,0,0,0,1.5,1.011904762,1.553571429,0.625,1.714285714,0,0,0,1.923553719,0.506198347,1.923553719,0.289256198,2.082644628,0,0,0,25.00797929,12.50398965,18.57321498,25.00797929,3.57256847,12.50399995,-1.78E-15,0.062340101,0.008905729,-1.94260527,21.69060259,3.098657513,2.153815375,25.00797929,12.50398965,18.57321498,25.00797929,3.57256847,12.50399995,-1.78E-15,0.062340101,0.008905729,-1.94260527,21.69060259,3.098657513,2.153815375,25.00797929,12.50398965,18.57321498,25.00797929,3.57256847,12.50399995,-1.78E-15,0.062340101,0.008905729,-1.94260527,21.69060259,3.098657513,2.153815375,25.00797929,12.50398965,18.57321498,25.00797929,3.57256847,12.50399995,-1.78E-15,0.062340101,0.008905729,-1.94260527,21.69060259,3.098657513,2.153815375,25.00797929,12.50398965,18.57321498,25.00797929,3.57256847,12.50399995,-1.78E-15,0.062340101,0.008905729,-1.94260527,21.69060259,3.098657513,2.153815375,25.00797929,12.50398965,18.57321498,25.00797929,3.57256847,12.50399995,-1.78E-15,0.062340101,0.008905729,-1.94260527,21.69060259,3.098657513,2.153815375,29.76199819,14.8059991,22.17121136,29.65485534,4.236407905,14.80600001,-0.15,0.138652044,0.019807435,-1.383051437,19.50061884,2.785802692,2.07931234,0,11.89,12.11009426,-0.173116455,0.049805065,5.842125,7.816768872,6,20,19,19,5,1,1,0,0,1,15.304898,3.579778624,3.074489284,2.333552793,2.333552793,2.065590871,1.06896974,0.350856723,0.083923071,1.903071126,1.626247604,1.249629723,1.249629723,0.910880901,0.363793327,0.083923071,0.083923071,3.599360882,3.111806178,2.405454588,2.405454588,2.129796731,1.175096351,0.478309428,0.270913902,1.851416542,1.547140114,1.134540686,1.134540686,0.802354298,0.209803007,0.270913902,0.270913902,3.689230958,3.276888563,2.704236987,2.704236987,2.40155522,1.61064625,0.959217233,0.943918427,1.707922328,1.309850369,0.76031856,0.76031856,0.453274097,0.309182278,0.943918427,0.943918427,3.613986398,3.139383741,2.457539916,2.457539916,2.176632589,1.251806798,0.567872909,0.399277246,1.819257684,1.496292149,1.058262671,1.058262671,0.73071287,0.106310751,0.399277246,0.399277246,3.735270844,3.357205523,2.838982085,2.838982085,2.526114418,1.802250745,1.207644823,1.207644823,1.665869633,1.235012209,0.631337262,0.631337262,0.334620448,0.494420374,1.150819677,1.207644823,3.604240426,3.159388122,2.560542902,2.560542902,2.267394784,1.27275566,0.638410453,0.538461538,1.820783157,1.448693487,0.945158287,0.945158287,0.635374035,0.037338765,0.538461538,0.538461538,0,0,0,1,1,4,0,1,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.622008468,0,0,0,0.471404521,0.942809042,0.23570226,0.333333333,0.666666667,0.166666667,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,5.654700538,2.776709006,2.488033872,0.666666667,0.666666667,0,0,0,0.807814363,0.462784834,0.35543341,0.166666667,0.166666667,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,3,0,1,0,0,0,0,0,0,0,0,4,0,0,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.662037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.276388889,0,0,0.777083333,0.870833333,0,0.276388889,0,0,0,0,0,0,0,0,8.625,0,0,0,2.25,0,0.712962963,0,0,1.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.276388889,0,0,0.243402778,0.290277778,0,0.276388889,0,0,0,0,0,0,0,0,2.125,0,0,0,2.25,0,0.712962963,0,0,1.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.276388889,0,0,0.290277778,0.290277778,0,0.276388889,0,0,0,0,0,0,0,0,2.1875,0,0,0,2.25,0,0.712962963,0,0,1.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13,1.857142857,0.290277778,2.25,0.065972222,0.712962963,4.459912037,0.62037037,0.25,1.75,0.62037037,0.25,1.75,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0.28571,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.37354,0.91051,7.47656,1.10302,0.15757,2.5614,0.36591,3.12588,0.56448,0.08064,0.28812,0.04116,0.28812,0.04116,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.911092835,2.724719803,2.724719803,2.515561831,1.697611723,19.28421252,40.13294954,57.21911587,57.21911587,52.82679845,35.64984618,0.209068641,0.435098981,0.620337635,0.620337635,0.572718588,0.386495683,3.474021589,2.481224587,1.667597619,1.667597619,1.876755592,2.6947057,0.209068641,0.435098981,0.620337635,0.620337635,0.572718588,0.386495683,6.73287657,15.92600679,16.74600042,16.74600042,14.23610475,6.719804482,27.64912502,17.29583807,18.13367329,18.13367329,16.87872546,17.34211164,7,3.06122449,6,7,2,5,2.23,1.0519,1.889881575,2,4.618802154,0,0,2,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.096,0.164,0.169,2.956,7,4,4,0,0,0,0,0,0,28,2.079441542,2.397895273,2.197224577,2.197224577,0,0,0,0,0,0,3.713572067,1.428571429,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,5,0.833333333,0,2,4,1,2.5,0.444444444,0.5,0,0,0,0,0,0,0,0.416666667,0.063492063,0.125,0,0,0,0,0,0,0,0.60515873,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,0,126.9918924,3.807354922,3.295836866,3.891820298,4.65396035,5.262690189,6.033086222,6.64509097,7.417580402,8.030409562,8.803424212,67.03389907,2.564949357,0,3.713572067,0,4.976733742,0,6.300785795,0,7.655864018,7.958576904,98.10955045,4.671883355,12.50916243,1.787023205,0,0,0,48,4,3.34,26,1.212705426,2.099518655,3.005102879,3.633101192,4.545369866,5.025871555,0,0,0,0,73.71753674,83.49696018,77.0783794,67.75413086,46.18782195,5.106607155,0,0,0,0,277.07541,342.5821825,412.3329805,348.4075724,454.8201708,156.222907,0,0,0,0,8.82049534,14.91524745,21.34593581,25.15425642,32.03399546,33.76613711,0,0,0,0,2.098790965,2.762991342,3.610159705,3.212515612,4.528101731,2.234567351,0,0,0,0,173.9316101,327.3383736,466.1561078,615.0995751,721.3502773,929.3723673,0,0,0,0,2.831902716,4.039646049,5.857542304,5.35151358,8.293394869,5.025871555,0,0,0,0,0.43511166,0.580509282,0.767799815,0.692608787,0.981174115,0.514649247,0,0,0,0,299.3113131,118.796013,8.171121803,54.56341028,-21.65609956,-2.976775636,244.7479028,140.4521126,11.14789744,0.845811507,0.335700758,0.023090436,0.154188493,-0.061197079,-0.008411948,105.9187081,42.03890623,2.891553467,19.30861172,-7.663546242,-1.053405655,0.144635312,0.208394571,1.986969828,1.874366276,353.8747234,0,1,0,391.9611932,19.79800983,7.318369905,532.2592482,23.07074442,8.104155,634.3864898,25.18703019,8.592469024,1.538709241,1.314121321,399.0277719,330.2183995,115.1501163,1.208375344,3.465283273,2.867720937,3.982071475,3.467780355,6.596515209,0.902229822,5.756743436,4.912784115,2.41783354,15.07149376,6.070027243,11.61420366,4.087838121,5.44487286,8.431364978,3.6670073,4.211404815,0.960387788,1.01E-07,3.63E-36,2.85E-86,4.41E-158,1.32E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0.483127429,4.90030964,0.141358586,6.777773285,1.11227313,0.726830797,0.739720216,1.91642047,1.269937174,0.091239335,0.08793122,0.00676409,7.12E-10,2.56E-38,2.01E-88,3.10E-160,9.27E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559584886,4.901143334,0.496882055,7.509205194,1.697130022,2.508201868,1.28419918,2.374974572,2.179441331,0.437194446,0.458800061,0.07048703,7.42E-09,2.66E-37,2.09E-87,3.24E-159,9.66E-253,0,0,0,0,0,0,0,0,0,0,0,0,0,5.433896443,4.911414572,2.239854445,14.22361367,5.615413911,10.79168455,3.833715212,5.136290435,7.797563494,3.312277734,3.792408186,0.855688229,9.01E-08,3.23E-36,2.54E-86,3.93E-158,1.17E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,2.298539183,4.90222415,0.773347734,8.29679752,2.225438618,3.861991524,1.699222055,2.767455278,2.967775517,0.78868014,0.853186106,0.153107248,1.61E-08,5.79E-37,4.55E-87,7.03E-159,2.10E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,6.952100537,4.918542834,3.120654367,18.59702058,7.924822099,14.83675015,5.084551013,6.692524487,10.99989047,5.134628731,5.951877711,1.400635331,1.47E-07,5.30E-36,4.16E-86,6.43E-158,1.92E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,3.264583756,4.199996135,1.032450838,10.04204572,2.733202105,5.696196027,2.005157056,3.298619714,4.267733777,1.309907383,1.44081419,0.278455631,2.93E-08,1.05E-36,8.27E-87,1.28E-158,3.82E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,4.140400624,1.621573121,0.601524893,0.650648466,0.254824148,0.614689713,0.608245555,0.408198114,6.363498638,10.179933,20.58204713,0.475972698,1.631133382,3.131708832,0.941202818,0.236800363,0.726663133,0.218391116,0.351325383,0.204699724,0.063126329,4.309712014,3.912040136,8.919738548,0.589994699,0.619151436,3.532241142,1.211230381,0.381937874,0.689162732,0.236318758,0.447112149,0.339118581,0.164594652,5.125409397,6.090069213,12.84954549,0.533744098,0.950825382,4.115420117,1.604714005,0.592518546,0.651931974,0.254205972,0.607280317,0.59564804,0.396084962,6.312652668,9.993357849,20.21904583,0.477897962,1.599013318,3.710814136,1.331690823,0.446494336,0.676045657,0.242610857,0.493548334,0.410012778,0.224991596,5.488999295,7.193107034,14.88852825,0.514068486,1.128552708,4.218610223,1.674357342,0.62971623,0.646759885,0.25669761,0.638178779,0.648540053,0.447283582,6.522683795,10.77435832,21.74501815,0.470139828,1.734002414,4.119036708,1.606677404,0.592460778,0.651934582,0.254294544,0.608371791,0.597105977,0.396088184,6.31817489,10.01022424,20.24928277,0.477901873,1.601565951 +UMLRON0151,L,"2,4-dimethyl-2-pentene",CC(C)C=C(C)C,12260,"Sandia values averaged from co-optima database values sourced from their api report and our independent api report, since UML values are from concrete source would go with those ","Sandia, UML",[1],C7H14,PubChem,,100,0,0.7669,0.58813561,32.3767,16.696344,5,5,15,7,8,0,6,0,1,0,0,0,0,0,0,0,1129.681239,1202.505287,1617.143825,828.159364,319.859737,78.738912,9.144576,0,0,3006.162143,3640.936444,4662.371147,3528.62656,2216.331998,874.9221648,279.7536999,0,0,112.342524,114.711404,189.32522,183.826192,147.498148,83.016576,60.466176,0,0,20.93350724,25.53153448,33.10498053,27.01379989,21.04619777,9.348943289,4.001516144,0,0,2425.558639,2165.638819,3888.076483,3704.794767,3380.015936,2028.241198,1664.258868,0,0,41.80555556,45,68.77777778,63,36,18,9,0,0,75.3120826,80.16701913,64.685753,36.00692887,15.23141605,6.561576,1.016064,0,0,200.4108095,242.7290963,186.4948459,153.4185461,105.5396189,72.9101804,31.08374443,0,0,7.4895016,7.647426933,7.5730088,7.99244313,7.023721333,6.918048,6.718464,0,0,1.395567149,1.702102299,1.324199221,1.174513039,1.002199894,0.779078607,0.444612905,0,0,161.7039092,144.3759213,155.5230593,161.0780334,160.9531398,169.0200999,184.917652,0,0,2.787037037,3,2.751111111,2.739130435,1.714285714,1.5,1,0,0,0.124695282,-0.048055391,0.051511859,-0.095990295,0.013716601,0.008426605,0.008042979,0,0,513.6289296,22.3423712,244.2871244,-562.2005049,-217.2027322,-6.53904648,262.4983232,0,0,778.6923982,-49.26426573,144.3439326,-362.8604677,-444.1614858,-70.71551803,393.3116055,0,0,1.0071936,0.0196128,0.1592304,-0.99383472,0.06560736,0.08801952,0.15776784,0,0,3.531677142,-0.514646227,-0.317331639,0.044769678,-2.044165155,-0.449554928,1.5150897,0,0,19.71791966,-3.310735889,-3.378007883,2.769430554,-11.15491102,-2.63510014,7.850364543,0,0,7.048148148,-0.92037037,4.929012346,-9.542345679,-0.584074074,0.139259259,2.454444444,0,0,0.008313019,-0.003203693,0.002060474,-0.004173491,6.53E-04,7.02E-04,8.94E-04,0,0,34.24192864,1.489491413,9.771484976,-24.44350021,-10.34298725,-0.54492054,29.16648036,0,0,51.91282655,-3.284284382,5.773757306,-15.77654207,-21.15054694,-5.892959836,43.7012895,0,0,0.06714624,0.00130752,0.006369216,-0.043210205,0.00312416,0.00733496,0.01752976,0,0,0.235445143,-0.034309748,-0.012693266,0.001946508,-0.097341198,-0.037462911,0.1683433,0,0,1.314527977,-0.220715726,-0.135120315,0.120410024,-0.531186239,-0.219591678,0.872262727,0,0,0.469876543,-0.061358025,0.197160494,-0.414884595,-0.027813051,0.011604938,0.272716049,0,0,-0.385382595,0.247861146,-0.50204278,0.078572116,0.084471976,0.107501785,0,0,0.043499051,0.285366081,-0.713847064,-0.302056212,-0.015913839,0.851776799,0,0,-0.063265374,0.111220245,-0.303904509,-0.407424299,-0.113516451,0.841820652,0,0,0.019472721,0.094855885,-0.643523825,0.046527698,0.109238581,0.261068379,0,0,-0.145722898,-0.053911775,0.008267351,-0.413434725,-0.159115241,0.715000097,0,0,-0.167904928,-0.102789988,0.091599438,-0.404088957,-0.167049832,0.663555848,0,0,-0.13058329,0.419600631,-0.882965112,-0.059192253,0.024697846,0.580399369,0,0,1.278644194,0.865161225,2.621307562,0.130695021,0.096386424,0,0,0,0.908873328,0.694659989,1.782669563,1.09996668,0.82497501,0,0,0,1.120632197,0.859054583,1.140818028,1.349177928,1.011883446,0,0,0,0.851911159,0.982735077,2.798105634,0.109884204,0.082413153,0,0,0,1.263001368,1.036850972,0.879905043,1.329862973,0.997397229,0,0,0,1.298219785,1.092073564,0.843870257,1.293861607,0.970396205,0,0,0,1.004203889,0.587073043,2.552491489,0.504466632,0.496584341,0,0,0,17.2512011,8.75060055,12.42100359,17.42977253,2.489967504,8.751162606,0.25,4.44E-16,6.34E-17,-24.74535435,2000018.265,285716.895,10.15606681,17.25557748,8.752421529,12.42440573,17.43362432,2.49051776,8.752982423,0.249265579,7.77E-16,1.11E-16,-24.35362329,2000018.266,285716.8951,10.15606681,21.23794274,10.41947413,15.58751727,20.95294668,2.993278097,10.41956915,-0.398994478,3.33E-16,4.76E-17,-24.9467318,2000020.258,285717.1797,10.15606751,17.26017089,8.754332844,12.42797686,17.43766717,2.491095311,8.754892521,0.2484948,7.77E-16,1.11E-16,-24.35362329,2000018.267,285716.8952,10.15606681,25.76738659,12.27627688,19.14288819,25.30354619,3.614792312,12.27629223,-1.082294264,0,0,0,2000023.418,285717.6311,10.15606861,17.71110313,8.942118658,12.77980941,17.83477041,2.547824344,8.942571639,0.173134186,0,0,0,2000018.385,285716.9122,10.15606685,17.08405805,8.749965531,12.15254904,17.3811102,2.483015743,8.750545125,0.415873016,1.11E-16,1.59E-17,-25.7157604,2000019.616,285717.088,10.15606728,0,11.89,15.99491614,-0.319106959,0.135565102,5.358571458,6.709038668,7,15,13,10,2,2,0,0,0,5,10.661656,3.82425426,2.852587597,2.440965921,1.982838307,1.590045842,0.376234974,0.083923071,0.083923071,1.685394744,1.624782664,1.190372398,0.748730831,0.149925007,0.083923071,0.083923071,0.083923071,3.742696978,2.890505745,2.485428603,1.759011632,1.649787844,0.504005159,0.270913902,0.270913902,1.645302925,1.635270651,1.091945166,0.784306587,0.076155921,0.270913902,0.270913902,0.270913902,3.871489847,3.065817247,2.725312629,2.16011785,1.909679564,0.963466379,0.943918427,0.943918427,1.504200862,1.421874763,0.771670347,0.388994279,0.497193224,0.943918427,0.943918427,0.943918427,3.724494194,2.918990139,2.524595886,1.695899316,1.693578172,0.592657952,0.399277246,0.399277246,1.664736074,1.604865898,1.026550746,0.778523624,0.001809185,0.399277246,0.399277246,0.399277246,3.874293694,3.15430001,2.838709877,2.178533571,2.036200717,1.207644823,1.207644823,1.207644823,1.467905353,1.405069119,0.662508967,0.305553504,0.668506073,1.130458367,1.207644823,1.207644823,3.932979111,2.954522796,2.617701775,2.310837251,1.733918218,0.647550996,0.529411765,0.529411765,1.569510176,1.464847133,0.932403176,0.496146332,0.235984905,0.529411765,0.529411765,0.529411765,0,0,0,4,0,2,0,0,0,0,0,0.11785113,0.23570226,0.11785113,0,0,0.034020691,0.068041382,0.034020691,0.577350269,0,0,0,0.23570226,0,0,0,0.741581624,1.040440115,0.589255651,0.253933894,0.321975275,0.170103454,5.276020882,3.2876937,3.023395961,1.95700308,1.491624578,0.638071187,0,0,0.753717269,0.469670529,0.335932885,0.217444787,0.149162458,0.127614237,0,0,4.562948829,2.318931893,1.656696226,0.874724706,0.556683324,0.219416097,0,0,0.651849833,0.331275985,0.184077358,0.097191634,0.055668332,0.043883219,0,0,8.88211032,14.8820102,14.25098039,14.44,9.674457485,113.7529305,0.592140688,0.992134013,0.950065359,0.962666667,0.644963832,7.583528703,1.31644,28.417,22.47266809,30.16393587,44.94533619,6.420762312,22.47266809,3.33E-16,4.76E-17,-24.9467318,2000014.736,285716.3909,10.15606557,42,0,0,1,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,2,0,0,0,0,0,0,0,0,2,0,0,0,0,2,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.083333333,5.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.979861111,0,0,0,0,0.979861111,0,0,0,0,0,0,0,0,3.875,0,0,0,0,3.907407407,0,0,0,0,1.967592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.083333333,0.983796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.489930556,0,0,0,0,0.489930556,0,0,0,0,0,0,0,0,1.9375,0,0,0,0,1.953703704,0,0,0,0,0.983796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.083333333,1.953703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.489930556,0,0,0,0,0.489930556,0,0,0,0,0,0,0,0,1.9375,0,0,0,0,1.953703704,0,0,0,0,0.983796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.83333333,2.119047619,0.489930556,5.083333333,0.236111111,0.983796296,3.235833333,0.68287037,1.583333333,3.166666667,0.68287037,1.583333333,3.166666667,3.33333,0.47619,0,0.02381,0.53778,0.80952,0.43333,0.48772,0.80952,0.10444,0.05006,-0.05439,0,0.58823,0.12606,0,0.3,0.3,0,9,1.28571,4,0.57143,5,0.71429,1,0.14286,0,0,3.24466,0.46352,6.88311,3.63845,0.51978,1.42047,0.20292,3.28768,1.86721,0.26674,0.12632,0.01805,0.21232,0.03033,0.333333333,7.01,0,1,1,1,0,0,0.333333333,1.272905595,2.339572262,2.339572262,2.339572262,2.339572262,2.339572262,19.09358393,35.09358393,35.09358393,35.09358393,35.09358393,35.09358393,0.325810402,0.598832295,0.598832295,0.598832295,0.598832295,0.598832295,2.633985,1.567318334,1.567318334,1.567318334,1.567318334,1.567318334,0.308263103,0.566580748,0.566580748,0.566580748,0.566580748,0.566580748,10.99874005,19.04262746,19.04262746,19.04262746,19.04262746,19.04262746,24.98883943,19.9845481,19.9845481,19.9845481,19.9845481,19.9845481,5.142857143,1.851851852,1.185185185,0,5,0,2.01,0.8181,0.25,1.632993162,2.309401077,0,1,2.828427125,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.148,0.429,0.411,3.015,9,9,10,5,0,0,0,0,0,47,2.351375257,2.90416508,3.291196486,3.739156607,3.203762187,0,0,0,0,0,4.830810618,2.644946809,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,2,0.285714286,0,2,4,1,2,0.666666667,0.569444444,0,0,0,0,0,0,0,0.285714286,0.074074074,0.142361111,0,0,0,0,0,0,0,0.502149471,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,13.14,92.59321705,3.807354922,3.496507561,4.234106505,5.043425117,5.802118375,6.610696045,7.378383713,8.182838711,8.955835144,9.75643661,73.46034778,2.708050201,0,3.931825633,2.397895273,5.303304908,4.59511985,6.736966958,6.502790046,8.206583614,8.621913502,96.05751488,6.403834325,13.45353991,1.921934272,2.895226194,2.895226194,0,41,4,1.181,32,1.345305484,2.305450102,3.452381606,4.272473722,5.533025255,6.288407111,0,0,0,0,127.2057797,174.7831279,136.7251856,74.63157529,38.2208363,6.389424083,0,0,0,0,358.3069224,476.4834387,560.4268986,484.3018823,417.8611031,195.4672395,0,0,0,0,10.48545941,17.78414114,27.71193351,30.10890469,38.34667244,42.24843679,0,0,0,0,2.416228405,3.261621367,4.221963345,4.504213048,4.426189124,2.795906952,0,0,0,0,192.4617248,353.1599369,553.0231848,680.0972407,929.7013212,1162.837478,0,0,0,0,4.349376817,7.002339625,9.685675569,7.603491684,8.472242457,6.288407111,0,0,0,0,0.546242611,0.772499992,0.99387824,0.967529136,0.971018073,0.643932888,0,0,0,0,267.5060254,112.6189988,10.51163985,110.0028995,-46.31079389,-12.12033717,157.5031259,158.9297927,22.63197702,0.70860848,0.298321421,0.027844745,0.29139152,-0.122674699,-0.032106094,100.9859121,42.51467717,3.968237859,41.52707632,-17.48273801,-4.575535453,0.153038853,0.757939762,3.541267415,24.26183662,345.498681,32.01024387,0.915206657,0.084793343,458.1364071,21.40412126,7.709003956,536.0573203,23.1529117,8.123385754,706.7320518,26.58443251,8.907413139,2.47410681,2.47410681,383.9712677,305.6160244,102.6950071,1.256384604,3.738947769,2.975957965,3.872798679,4.264305803,6.726399482,0.577372682,2.394553898,2.810475747,3.711715652,4.656174413,3.472449837,3.18988394,3.096018681,7.021744133,1.897575833,3.892920083,3.59531017,1.330572083,6.23E-04,1.02E-26,3.59E-71,2.43E-137,3.18E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,0.20098838,2.98997887,1.214669249,4.217481926,1.862478511,1.433798188,2.211672169,0.378962639,0.080709285,0.91734481,0.267281904,0.00937133,4.39E-06,7.21E-29,2.53E-73,1.71E-139,2.24E-227,0,0,0,0,0,0,0,0,0,0,0,0,0,0.648741857,2.656071039,1.596265216,3.54903144,1.641460859,1.042342893,2.334929114,1.361349924,0.312292382,1.265755134,0.88551705,0.097656468,4.58E-05,7.52E-28,2.63E-72,1.78E-138,2.33E-226,0,0,0,0,0,0,0,0,0,0,0,0,0,2.260265394,2.989348291,3.591046096,5.048663404,3.684975422,3.522288612,3.220610178,6.484266143,1.737076587,3.619143187,3.369960329,1.185515773,5.55E-04,9.13E-27,3.20E-71,2.17E-137,2.83E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,0.956110586,2.529186908,1.900249673,3.350035417,1.678720897,0.969466562,2.386090805,2.14630268,0.512621469,1.581820867,1.328053905,0.212122893,9.94E-05,1.63E-27,5.72E-72,3.88E-138,5.06E-226,0,0,0,0,0,0,0,0,0,0,0,0,0,2.891763809,2.923807646,4.396252991,5.16282367,4.122649265,4.277439198,3.445702838,9.167120349,2.547776932,5.010613864,4.454216115,1.940514328,9.09E-04,1.49E-26,5.23E-71,3.55E-137,4.63E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,1.342288273,3.047606263,2.316762126,5.493363705,3.454180536,3.071215046,2.926154581,3.015552411,0.777358356,2.100571692,1.889780733,0.372928515,1.75E-04,2.87E-27,1.01E-71,6.81E-138,8.90E-226,0,0,0,0,0,0,0,0,0,0,0,0,0,5.24945724,1.427021782,0.288111223,0.75373526,0.204896732,0.611667185,0.424205408,0.430227906,6.964590245,9.414658361,18.53751566,0.63060289,1.466100499,3.056545464,0.960913515,0.152988944,0.732905798,0.230410146,0.208439027,0.206620486,0.08574057,4.170447923,3.551702654,8.17149071,0.599358697,0.500800083,3.989266361,1.068525118,0.181060964,0.761477137,0.203961675,0.353446902,0.239681771,0.163715105,5.238852443,5.178399911,11.18904849,0.642215706,0.756843778,5.071179894,1.415227381,0.292456895,0.748086961,0.208770577,0.571024348,0.419275171,0.433222111,6.778864169,9.073867168,17.95165722,0.622130441,1.423521629,4.445740672,1.150072096,0.19564076,0.76763815,0.198580907,0.438672476,0.275177317,0.199499824,5.791453528,6.207691354,12.99944088,0.651457225,0.913349617,5.399810446,1.482249454,0.307147638,0.751099536,0.206177029,0.647229736,0.45790907,0.487831548,7.189207539,10.11767453,19.76525063,0.626649304,1.592970354,5.147160016,1.412838764,0.286413765,0.751803953,0.206361909,0.588142708,0.416553835,0.42183257,6.846412544,9.15098114,18.08022528,0.62770593,1.426529113 +UMLRON0152,L,"2,5-Dimethylfuran",CC1=CC=C(O1)C,12266,MON from [1],"Sandia, UML","[1], [9]",C6H8O,PubChem,,101.3,0,2.4326,5.91754276,38.5892,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1179.348079,1382.201192,1112.811677,827.498116,718.448644,242.14176,25.4016,0,3823.307636,4570.930941,5764.231753,5913.49121,4754.006523,3463.108659,2294.732327,777.0936108,0,154.382624,152.43046,255.626144,292.34066,373.270288,235.707664,142.35264,167.9616,0,28.53578067,35.11192034,46.80112663,51.35636954,45.42701054,31.1833012,22.2708862,11.11532262,0,3603.201977,3031.276161,5619.737228,6273.563915,9180.748148,5736.755942,3062.450954,4622.941301,0,50.05555556,53.91666667,71.33333333,89.44444444,83.66666667,61.66666667,50,25,0,53.10626655,56.15943233,38.39447756,27.14174822,15.32403919,21.13084247,12.107088,1.016064,0,173.7867107,217.6633782,160.1175487,144.2314929,88.03715784,101.856137,114.7366164,31.08374443,0,7.017392,7.258593333,7.100726222,7.13026,6.912412741,6.932578353,7.117632,6.718464,0,1.297080939,1.671996207,1.300031295,1.252594379,0.841240936,0.917155918,1.11354431,0.444612905,0,163.781908,144.3464838,156.1038119,153.013754,170.0138546,168.7281159,153.1225477,184.917652,0,2.275252525,2.567460317,1.981481481,2.181571816,1.549382716,1.81372549,2.5,1,0,0.057848584,-0.003951849,-0.009829613,-0.046118124,0.035277962,0.014293692,-0.05437264,0.035776281,0,616.3360458,-49.02673092,48.02618539,-587.3202255,204.1112879,236.1287448,-560.3054962,400.2182116,0,1146.103196,-91.16729966,89.30674252,-1092.147039,379.5536557,439.0914841,-1041.911996,744.2228543,0,0.120736,-0.009604,0.009408,-0.115052,0.039984,0.046256,-0.10976,0.0784,0,5.123614541,-0.407560248,0.399242692,-4.882405415,1.696781439,1.962943233,-4.657831401,3.327022429,0,27.8315555,-2.213873733,2.168692637,-26.5213037,9.216943706,10.6627388,-25.3014141,18.07243864,0,8.232323232,-2.67630854,2.352157943,-7.718319559,2.025711662,6.807621671,-8.494031221,3.587006428,0,0.002629481,-1.88E-04,-2.73E-04,-0.001124832,6.53E-04,4.20E-04,-0.002718632,0.001431051,0,28.01527481,-2.334606234,1.334060705,-14.32488355,3.779838665,6.944963083,-28.01527481,16.00872846,0,52.0955998,-4.341299984,2.480742848,-26.63773265,7.028771402,12.91445541,-52.0955998,29.76891417,0,0.005488,-4.57E-04,2.61E-04,-0.002806146,7.40E-04,0.001360471,-0.005488,0.003136,0,0.23289157,-0.019407631,0.011090075,-0.119083059,0.031421878,0.057733625,-0.23289157,0.133080897,0,1.265070705,-0.105422559,0.060241462,-0.646861066,0.170684143,0.313609965,-1.265070705,0.722897546,0,0.374196511,-0.127443264,0.065337721,-0.188251697,0.037513179,0.200224167,-0.424701561,0.143480257,0,-0.071566694,-0.103839807,-0.427777289,0.248450385,0.15988048,-1.033904385,0.544233324,0,-0.083333333,0.047619048,-0.511324042,0.134920635,0.24789916,-1,0.571428571,0,-0.083333333,0.047619048,-0.511324042,0.134920635,0.24789916,-1,0.571428571,0,-0.083333333,0.047619048,-0.511324042,0.134920635,0.24789916,-1,0.571428571,0,-0.083333333,0.047619048,-0.511324042,0.134920635,0.24789916,-1,0.571428571,0,-0.083333333,0.047619048,-0.511324042,0.134920635,0.24789916,-1,0.571428571,0,-0.34057844,0.174608044,-0.503082448,0.100249943,0.535077589,-1.134969325,0.383435583,0,1.272844754,1.131069313,1.468064016,0.512923451,0.797257891,2.354181918,0.058914689,0,1.375,1.03125,1.609756098,0.6875,0.606617647,2.0625,0,0,1.375,1.03125,1.609756098,0.6875,0.606617647,2.0625,0,0,1.375,1.03125,1.609756098,0.6875,0.606617647,2.0625,0,0,1.375,1.03125,1.609756098,0.6875,0.606617647,2.0625,0,0,1.375,1.03125,1.609756098,0.6875,0.606617647,2.0625,0,0,1.629754601,0.505853783,1.781841987,0.620671438,0.241753879,3.188650307,0,0,34.46672564,17.23336282,27.62408835,34.46672564,4.308340705,17.23336293,-1.07E-14,5.55E-17,6.94E-18,-29.9439582,27.475724,3.4344655,2.650642281,34.46672564,17.23336282,27.62408835,34.46672564,4.308340705,17.23336293,-1.07E-14,5.55E-17,6.94E-18,-29.9439582,27.475724,3.4344655,2.650642281,34.46672564,17.23336282,27.62408835,34.46672564,4.308340705,17.23336293,-1.07E-14,5.55E-17,6.94E-18,-29.9439582,27.475724,3.4344655,2.650642281,34.46672564,17.23336282,27.62408835,34.46672564,4.308340705,17.23336293,-1.07E-14,5.55E-17,6.94E-18,-29.9439582,27.475724,3.4344655,2.650642281,34.46672564,17.23336282,27.62408835,34.46672564,4.308340705,17.23336293,-1.07E-14,5.55E-17,6.94E-18,-29.9439582,27.475724,3.4344655,2.650642281,34.46672564,17.23336282,27.62408835,34.46672564,4.308340705,17.23336293,-1.07E-14,5.55E-17,6.94E-18,-29.9439582,27.475724,3.4344655,2.650642281,53.094049,26.2595245,43.65365876,52.662799,6.582849875,26.2595245,-0.575,1.67E-16,2.08E-17,-29.06506837,25.57467932,3.196834915,2.593282218,0,11.89,12.11011416,-0.173126467,0.049818096,5.82084375,7.914152671,7,21,19,19,5,2,2,0,0,2,15.304898,3.576488211,3.298755135,2.558281964,2.233129697,2.208510815,1.584740816,0.434253304,0.41562294,1.899761233,1.685923137,1.302892393,1.124997482,1.077825751,0.714844463,0.083923071,0.083923071,3.596826834,3.322041737,2.610279091,2.30253787,2.275705461,1.674105265,0.543083167,0.531306653,1.849518374,1.624281372,1.20086542,1.01254338,0.966866026,0.576328096,0.270913902,0.270913902,3.688694656,3.429599849,2.838974676,2.592565043,2.556723059,2.04733523,0.963750594,0.963681451,1.707523373,1.452052821,0.884109838,0.647206309,0.609793082,0.117128574,0.943918427,0.943918427,3.61193881,3.339477877,2.64868349,2.352927729,2.324487837,1.739087476,0.620306824,0.612327227,1.818037141,1.585774801,1.13431511,0.938020094,0.89363632,0.48379033,0.399277246,0.399277246,3.734918524,3.484921434,2.948522433,2.723917585,2.684414328,2.214667507,1.207644823,1.207644823,1.665033815,1.401563098,0.781320839,0.52161366,0.487893518,0.043631227,1.133676115,1.134624716,3.594946474,3.423743283,2.605710846,2.481638723,2.481608742,1.712899703,0.60859854,0.606104006,1.886270738,1.54801905,1.145494759,0.816449321,0.723232462,0.457008477,0.489795918,0.489795918,0,0,2,0,2,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.5,0,0,0,0.577350269,0.333333333,0.666666667,0.353553391,0.176776695,0.301776695,6.568914101,3.625897658,3.365043969,1.321367205,0.666666667,0.666666667,0,0,0.821114263,0.51798538,0.420630496,0.264273441,0.166666667,0.166666667,0,0,5.828427125,2.914213562,2.414213562,0.978553391,0.426776695,0.364276695,0,0,0.728553391,0.416316223,0.301776695,0.195710678,0.106694174,0.091069174,0,0,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.77118,38.322,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,56,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,2,4,0,2,0,0,0,0,0,0,0,0,2,2,2,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.05898148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.74375,0,0,0,0.667361111,1.281805556,0,0.74375,0,0,0,0,0,0,0,0,4.089166667,7.571944444,2.185185185,0,0,0,0,0,0,2.487037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.243518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.371875,0,0,0,0.333680556,0.307222222,0,0.371875,0,0,0,0,0,0,0,0,2.044583333,3.785972222,1.092592593,0,0,0,0,0,0,1.243518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.785972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.371875,0,0,0,0.333680556,0.333680556,0,0.371875,0,0,0,0,0,0,0,0,2.044583333,3.785972222,1.092592593,0,0,0,0,0,0,1.243518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.33333333,2.041666667,0.371875,3.785972222,0.087222222,1.092592593,4.87698537,0.423148148,0.785972222,3.322222222,0.423148148,0.785972222,3.322222222,4,0.5,0,0,0.44545,0.7,0.42308,0.42308,0.7,0.02238,0.02238,0,0,0.71429,0,0,0.5,0.25,0,5.5,0.6875,3.5,0.4375,2,0.25,-1.5,-0.1875,0,0,6.21275,0.77659,8.87961,2.66686,0.33336,2.54328,0.31791,3.62588,1.0826,0.13533,0.28812,0.03601,0.28812,0.03601,0,7,0,0,0,0,0,0,0.5,0.945660305,2.222191576,2.663532755,2.663532755,2.663532755,2.349038971,20.8045267,48.88821466,58.59772061,58.59772061,58.59772061,51.67885737,0.212058483,0.498312737,0.597280771,0.597280771,0.597280771,0.526757482,3.513771314,2.237240043,1.795898864,1.795898864,1.795898864,2.110392647,0.209052139,0.491248179,0.588813148,0.588813148,0.588813148,0.519289665,6.786633838,16.06746307,16.51225776,16.51225776,16.51225776,12.73833236,31.28312609,22.05484971,21.74036979,21.74036979,21.74036979,17.96644439,8,3.9375,7.2,8,2,6,2.34,1.1498,1.62865057,3.265986324,4,0,1,2.828427125,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.123,0.112,0.159,0.31,3.506,8,5,4,4,0,0,0,0,0,36,2.302585093,2.564949357,2.079441542,1.945910149,2.302585093,0,0,0,0,0,3.951243719,1.416666667,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,5,0.714285714,0,3,5,0.666666667,2.5,0.666666667,0.25,0.32,0,0,0,0,0,0,0.357142857,0.083333333,0.05,0.08,0,0,0,0,0,0,0.57047619,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,0,141.6514183,4,3.433987204,4.043051268,4.779123493,5.424950017,6.150602768,6.814542897,7.529943371,8.204398418,8.912338567,70.292938,2.708050201,0,3.850147602,0,5.105945474,0,6.408528791,0,7.738488122,8.049746291,110.1095504,5.004979566,14.50192071,1.812740089,0,0,0,74,5,3.146,30,1.224714286,2.133910211,3.016914659,3.600614224,4.4151813,5.815019974,6.208628501,0,0,0,78.92388464,93.33631277,88.08868555,66.0040146,112.1052314,70.40295854,6.308363909,0,0,0,290.2780116,373.004549,450.8575028,347.0493504,511.3517512,667.1957159,192.9874216,0,0,0,8.922164331,15.21827776,21.53896839,24.95357486,30.78021446,41.38917225,41.71244707,0,0,0,2.176321134,2.961552888,3.868851764,3.209826371,4.44973989,6.475282404,2.760436353,0,0,0,174.7621987,328.4419769,459.7646175,607.5570321,732.1525128,890.4106734,1148.085005,0,0,0,3.214654762,4.463139751,6.637000879,5.707952139,8.651506436,14.35315722,6.208628501,0,0,0,0.450343929,0.620295997,0.819701911,0.692105356,0.949559508,1.395604794,0.635763559,0,0,0,376.1633088,189.373,13.29997266,211.680873,-106.5671239,-14.87925091,164.4824358,295.9401239,28.17922357,0.639903091,0.322148293,0.022624997,0.360096909,-0.181284645,-0.025311556,221.1254124,111.3218162,7.818311546,124.4353696,-62.64486378,-8.746681073,0.106134764,0.198042146,3.092208485,9.099339467,587.8441817,0,1,0,480.2213113,21.91395243,7.830938437,616.6890656,24.83322503,8.511813174,782.2586088,27.96888644,9.214040505,1.748153027,1.748153027,612.2345023,517.0481653,108.5865002,1.184095687,5.638219309,4.761624734,4.30769398,4.462585949,7.77251563,0.741706652,4.231264441,5.085415371,7.914290896,13.41321447,1.309876703,10.02530709,4.005296738,7.021430812,4.572793539,1.137702872,2.279887433,1.497207057,5.564337661,0.006971944,0.011313408,2.07E-23,7.33E-66,5.00E-130,6.57E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,0.355122119,5.085209014,0.288207882,7.205045568,0.042713435,0.450779435,0.455998534,0.278717648,3.151667923,0.02203788,0.17776244,0.272277156,0.182315892,4.94E-05,7.97E-05,1.46E-25,5.16E-68,3.52E-132,4.63E-218,0,0,0,0,0,0,0,0,0,0,0,1.146325404,5.085223258,1.178116555,7.915031852,0.181078362,1.712030678,0.8958015,1.103694644,3.35978097,0.119521865,0.582779702,0.516509461,0.77610878,5.12E-04,8.30E-04,1.52E-24,5.38E-67,3.67E-131,4.82E-217,0,0,0,0,0,0,0,0,0,0,0,3.993969786,5.085392876,7.211557934,12.83602412,1.189747219,9.193960602,3.687299311,6.413595782,4.456795335,1.023325577,2.142681231,1.42016517,5.056275282,0.006212084,0.010080043,1.85E-23,6.53E-66,4.45E-130,5.86E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,1.689461654,5.085241314,1.986979112,8.567869292,0.311778171,2.783640003,1.282241159,1.833724056,3.526982342,0.225114602,0.867958612,0.685890016,1.333612324,0.001112424,0.00180361,3.31E-24,1.17E-66,7.97E-131,1.05E-216,0,0,0,0,0,0,0,0,0,0,0,5.109859743,5.085509859,10.784007,15.77411764,1.802979727,13.38181598,5.297048912,9.493436057,5.035207632,1.613507579,2.797569084,1.784789011,7.648226858,0.010166942,0.016499543,3.02E-23,1.07E-65,7.29E-130,9.59E-216,3.0E-323,0,0,0,0,0,0,0,0,0,0,2.242353711,3.476656682,2.373230613,9.150867207,0.461616127,3.280984858,1.391199674,2.14348591,4.405864468,0.30211343,1.454716159,0.786662633,1.781501538,0.00167351,0.002714087,4.97E-24,1.76E-66,1.20E-130,1.58E-216,0,0,0,0,0,0,0,0,0,0,0,5.717516235,1.609137186,0.302184559,0.74946096,0.210928216,0.563994215,0.52988804,0.363622336,7.62883798,11.41426952,21.82328642,0.62419144,1.45750459,4.634737302,0.925205097,0.060809844,0.824575982,0.164605209,0.376059927,0.189436598,0.014724949,5.620752242,4.626181803,10.50769168,0.736863974,0.580221473,5.044376273,1.188325613,0.152724779,0.789982649,0.186099641,0.44247442,0.304285364,0.092880603,6.385426665,6.946249544,14.24716375,0.684973974,0.839640388,5.68857274,1.591305438,0.295793949,0.750900071,0.210054687,0.558448271,0.519416023,0.348405165,7.575672126,11.20560065,21.45887554,0.626350107,1.42626946,5.235393819,1.30910174,0.195323205,0.776785549,0.194233968,0.475381653,0.364167684,0.151919562,6.739818765,8.131955008,16.21045323,0.665178324,0.9914689,5.808882845,1.665285244,0.322338569,0.745062257,0.213593769,0.581691994,0.563341501,0.413742906,7.796506658,12.08265953,22.99729121,0.617593385,1.558776401,5.694882669,1.600542785,0.294880122,0.750283715,0.210866713,0.560219229,0.52958778,0.346255762,7.590305577,11.26617932,21.54428871,0.625425573,1.43606277 +UMLRON0153,L,"2,5-dimethyl-1,5-hexadiene",CC(=C)CCC(=C)C,12322,,UML,[1],C8H14,PubChem,,90.2,0,1.2871,1.65662641,36.2764,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1300.504639,1076.576093,846.631972,646.827051,461.161346,157.477824,18.289152,3885.475125,4800.404174,5976.565422,5827.549678,4828.061034,3728.011456,2804.865983,1749.84433,559.5073998,167.819552,166.665724,297.110716,344.4917,353.913232,270.87294,208.387208,166.033152,120.932352,29.42500648,37.33900896,50.46917399,52.23754716,45.43103463,35.07566706,26.7230696,18.69788658,8.003032287,3973.037281,3337.521256,6628.390914,7880.085549,8562.404983,6528.696872,5017.946613,4056.482397,3328.517736,41.52777778,49.5,72.41666667,81.83333333,73.83333333,57.66666667,45,36,18,48.76541633,52.3287937,30.96439617,21.97094067,16.6006269,16.585309,15.37204487,6.561576,1.016064,161.8947969,208.713225,142.2991767,118.9295853,94.66786341,95.59003733,93.49553276,72.9101804,31.08374443,6.992481333,7.246335826,7.074064667,7.030442857,6.939475137,6.94546,6.946240267,6.918048,6.718464,1.226041937,1.623435172,1.201647,1.066072391,0.890804601,0.899376078,0.890768987,0.779078607,0.444612905,165.54322,145.1096198,157.8188313,160.8180724,167.8902938,167.4024839,167.2648871,169.0200999,184.917652,1.730324074,2.152173913,1.724206349,1.670068027,1.447712418,1.478632479,1.5,1.5,1,0.042597834,5.34E-04,-0.012571057,-0.02354656,0.01113114,7.34E-04,-7.59E-04,-0.008166093,0.011343702,645.6853813,-53.80711511,-80.71067267,-269.0355756,40.35533633,-2.74E-13,-40.35533633,-161.4213453,242.132018,1200.679538,-100.0566282,-150.0849423,-500.283141,75.04247115,1.42E-13,-75.04247115,-300.1698846,450.2548269,0.126485333,-0.010540444,-0.015810667,-0.052702222,0.007905333,-7.38E-16,-0.007905333,-0.031621333,0.047432,5.367596186,-0.447299682,-0.670949523,-2.236498411,0.335474762,-2.69E-15,-0.335474762,-1.341899046,2.01284857,29.15686767,-2.429738973,-3.644608459,-12.14869486,1.822304229,2.73E-14,-1.822304229,-7.289216918,10.93382538,3.609953704,-0.891251929,0.718460648,-2.268470293,0.433015046,-0.126591435,0.640335648,-1.498842593,1.188368056,0.00177491,2.32E-05,-2.99E-04,-4.81E-04,2.18E-04,1.88E-05,-2.53E-05,-3.40E-04,6.30E-04,26.90355756,-2.339439787,-1.921682683,-5.49052195,0.791281105,-7.01E-15,-1.345177878,-6.725889389,13.45177878,50.0283141,-4.350288182,-3.573451007,-10.20986002,1.471421003,3.64E-15,-2.501415705,-12.50707852,25.01415705,0.005270222,-4.58E-04,-3.76E-04,-0.001075556,1.55E-04,-1.89E-17,-2.64E-04,-0.001317556,0.002635111,0.223649841,-0.019447812,-0.015974989,-0.045642825,0.006577937,-6.90E-17,-0.011182492,-0.05591246,0.111824921,1.214869486,-0.105640825,-0.086776392,-0.247932548,0.035731455,7.00E-16,-0.060743474,-0.303717372,0.607434743,0.150414738,-0.038750084,0.017106206,-0.046295312,0.008490491,-0.003245934,0.021344522,-0.062451775,0.066020448,0.013090252,-0.168634425,-0.270741673,0.122968313,0.010606145,-0.014246842,-0.191702068,0.355063516,-0.086956522,-0.071428571,-0.204081633,0.029411765,-2.61E-16,-0.05,-0.25,0.5,-0.086956522,-0.071428571,-0.204081633,0.029411765,7.28E-17,-0.05,-0.25,0.5,-0.086956522,-0.071428571,-0.204081633,0.029411765,-3.59E-15,-0.05,-0.25,0.5,-0.086956522,-0.071428571,-0.204081633,0.029411765,-3.09E-16,-0.05,-0.25,0.5,-0.086956522,-0.071428571,-0.204081633,0.029411765,5.76E-16,-0.05,-0.25,0.5,-0.25762159,0.113726927,-0.307784415,0.056447202,-0.021579895,0.141904457,-0.415197179,0.438922732,1.332180143,1.357281851,1.365813411,0.753693676,0.909375461,0.874327482,0.883296614,0.005344343,1.5,1.180803571,1.232142857,0.845588235,0.884615385,0.934375,1.078125,0,1.5,1.180803571,1.232142857,0.845588235,0.884615385,0.934375,1.078125,0,1.5,1.180803571,1.232142857,0.845588235,0.884615385,0.934375,1.078125,0,1.5,1.180803571,1.232142857,0.845588235,0.884615385,0.934375,1.078125,0,1.5,1.180803571,1.232142857,0.845588235,0.884615385,0.934375,1.078125,0,1.70823982,0.806943617,1.424867991,0.744356223,0.898512837,0.725617185,1.592818211,0,37.2538728,18.6269364,29.46437487,37.2538728,4.6567341,18.62693643,0,0.152176307,0.019022038,-1.506172411,117.2294631,14.65368288,3.81130659,37.2538728,18.6269364,29.46437487,37.2538728,4.6567341,18.62693643,0,0.152176307,0.019022038,-1.506172411,117.2294631,14.65368288,3.81130659,37.2538728,18.6269364,29.46437487,37.2538728,4.6567341,18.62693643,0,0.152176307,0.019022038,-1.506172411,117.2294631,14.65368288,3.81130659,37.2538728,18.6269364,29.46437487,37.2538728,4.6567341,18.62693643,0,0.152176307,0.019022038,-1.506172411,117.2294631,14.65368288,3.81130659,37.2538728,18.6269364,29.46437487,37.2538728,4.6567341,18.62693643,0,0.152176307,0.019022038,-1.506172411,117.2294631,14.65368288,3.81130659,37.2538728,18.6269364,29.46437487,37.2538728,4.6567341,18.62693643,0,0.152176307,0.019022038,-1.506172411,117.2294631,14.65368288,3.81130659,42.81395947,21.33406307,34.46307057,42.70458447,5.338073059,21.33406307,-0.145833333,0.23781305,0.029726631,-1.149016334,29.4050585,3.675632312,2.704933374,0,11.89,12.11011416,-0.173262233,0.049716441,5.148838661,7.613982403,7,23,22,22,6,1,1,0,0,1,17.491312,3.562470018,3.236379977,2.693124251,2.333552793,2.09525884,1.567614257,1.190357327,0.354660587,1.905810649,1.724255375,1.393573128,1.249629723,0.984731436,0.668813277,0.519142968,0.083923071,3.583519303,3.269735863,2.743313396,2.405454588,2.161998246,1.655758046,1.306821571,0.480308841,1.851662065,1.654143448,1.298572975,1.134540686,0.86938415,0.533596664,0.368612553,0.270913902,3.679796034,3.415958743,2.960625058,2.704236987,2.446001513,2.020044381,1.767326116,0.959218208,1.699737379,1.445002078,1.00302623,0.76031856,0.500342653,0.087775106,0.150423952,0.943918427,3.599226415,3.294295873,2.780167495,2.457539916,2.210765292,1.719568294,1.389852349,0.569017035,1.817803255,1.609224769,1.236622823,1.058262671,0.793364165,0.443539047,0.266675219,0.399277246,3.728855742,3.486696067,3.063354135,2.838982085,2.57703404,2.182365302,1.962850134,1.207644823,1.654829125,1.379012473,0.906271989,0.631337262,0.375813069,0.068349439,0.341520314,1.150770421,3.624213454,3.300568446,2.833280786,2.601972834,2.29631296,1.787556062,1.462759614,0.670046087,1.810205253,1.554447278,1.162800176,0.907855187,0.693774026,0.337571058,0.157116089,0.564705882,0,0,0,1,1,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.288675135,0,0,0,0.288675135,0.204124145,0.144337567,0.204124145,0.144337567,0.102062073,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,6.198670613,3.404030206,2.42370294,1.110263394,0.594861352,0.306186218,0.204124145,0,0.774833827,0.486290029,0.346243277,0.222052679,0.148715338,0.102062073,0.102062073,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,3,0,1,0,0,0,0,0,0,0,0,3,0,3,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.738148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.278541667,0,0,0.97625,0.870833333,0,0.278541667,0,0,0,0,0,0,0,0,6.518009259,0,3.910509259,0,2.295138889,0,0,0,0,1.443009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.443009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.278541667,0,0,0.216944444,0.290277778,0,0.278541667,0,0,0,0,0,0,0,0,2.148472222,0,1.262731481,0,2.295138889,0,0,0,0,1.443009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.295138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.278541667,0,0,0.290277778,0.290277778,0,0.278541667,0,0,0,0,0,0,0,0,2.221064815,0,1.338472222,0,2.295138889,0,0,0,0,1.443009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.16666667,1.770833333,0.290277778,2.295138889,0.064652778,1.262731481,5.139820046,0.237268519,0.295138889,1.626296296,0.237268519,0.295138889,1.626296296,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.375,0.125,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.31073,0.91384,8.40872,1.09799,0.13725,3.17869,0.39734,3.77005,0.59135,0.07392,0.14395,0.01799,0.14395,0.01799,0,7,0,0,0,0,0,0,0.75,0.918295834,1.976489212,3.240601563,3.40726823,3.40726823,3.216228125,22.03910002,47.43574108,77.77443751,81.77443751,81.77443751,77.18947501,0.200284263,0.43108078,0.706789109,0.743139825,0.743139825,0.701473158,3.666666667,2.608473289,1.344360938,1.177694271,1.177694271,1.368734375,0.200284263,0.43108078,0.706789109,0.743139825,0.743139825,0.701473158,6.73287657,16.95949615,19.1495148,19.31748564,19.31748564,17.02500439,31.59900002,18.30285172,17.09924844,16.57092761,16.57092761,15.42468698,8,5.142857143,7.2,8,2,7,2.34,1.1928,0.721124785,4.146039495,1.754410643,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,3.683,7,5,4,3,2,0,0,0,0,36,2.197224577,2.397895273,2.197224577,2.079441542,1.945910149,1.609437912,0,0,0,0,3.951243719,1.416666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,0,144.287877,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,112.1252005,4.671883355,14.66595917,1.833244896,0,0,0,79,5,3.974,28,1.214424913,2.102604245,2.94089802,3.64643414,4.718525548,5.838247145,6.853176859,7.835022029,0,0,74.53423746,75.03306125,75.0365562,75.51553379,93.97275214,103.7857572,48.46061148,7.960883823,0,0,279.1322503,327.8705673,377.4795126,392.6195405,503.0635733,592.7020338,526.0117219,243.5418224,0,0,8.835280726,14.94022287,20.73038215,25.43046882,32.91900335,40.68727757,47.53631912,52.63931344,0,0,2.110795101,2.702553045,3.298155924,3.551779829,4.582970057,5.507058902,5.549834544,3.483551904,0,0,174.0363473,327.0463469,469.147224,602.8554423,778.9209637,966.5384468,1148.311191,1448.833877,0,0,2.702301601,3.794011193,5.048209789,5.561324372,7.315059094,9.112860318,10.594702,7.835022029,0,0,0.437466512,0.569688156,0.702340523,0.762070998,0.984187138,1.186185166,1.21659917,0.802306256,0,0,369.1506195,169.1793909,10.05602302,103.3402687,-47.36019064,-6.373785197,265.8103508,216.5395815,16.42980822,0.781286219,0.358058526,0.021282999,0.218713781,-0.100235141,-0.013489753,174.4203041,79.93572066,4.751379248,48.82733534,-22.37725854,-3.011555429,0.124691145,0.186095391,1.712981017,1.644538197,472.4908882,0,1,0,457.8376148,21.39714034,7.707327678,617.9871818,24.85934798,8.517781378,716.3590603,26.76488484,8.947676062,2.104289002,2.104289002,817.280524,752.8137777,83.52206639,1.085634387,9.785204788,9.013351922,4.564693326,4.642480132,9.034087093,0.94596139,6.498765626,5.981505575,2.569189578,21.19632753,10.49277205,5.854474111,5.575490017,9.654718939,10.5744674,2.595242407,4.956112392,5.492879021,4.607654025,5.489072651,1.556980064,0.58062507,1.780716493,7.47E-10,6.04E-41,9.43E-94,2.84E-168,1.65E-264,0,0,0,0,0,0,0,0,0.545401471,5.972758138,0.21047993,6.937440382,1.135401343,0.332934473,0.807320626,1.195931331,3.29104436,0.141729189,0.23828052,0.339737554,0.239665396,1.27077371,0.04918639,0.036377519,0.012541732,5.26E-12,4.25E-43,6.64E-96,2.00E-170,1.16E-266,0,0,0,0,0,0,0,0,1.760610016,5.973342811,0.682838039,8.092908366,1.954693872,1.178603919,1.665648458,2.045721564,4.279574087,0.345276976,0.884260673,1.112350491,0.856655022,2.090469318,0.212469261,0.125569044,0.130694516,5.48E-11,4.43E-42,6.92E-95,2.08E-169,1.21E-265,0,0,0,0,0,0,0,0,6.134304939,5.980545237,2.421570081,19.70252132,9.534050604,5.416901355,5.242918056,8.826685091,9.952344645,2.339877021,4.555135424,5.078616897,4.243100978,5.216203458,1.413558253,0.539558775,1.586586336,6.65E-10,5.38E-41,8.40E-94,2.53E-168,1.47E-264,0,0,0,0,0,0,0,0,2.594812586,5.974100733,1.009800481,9.407218974,2.840977672,1.842681336,2.288996778,2.889424496,5.106086392,0.573270748,1.42183854,1.725641077,1.361736445,2.665442071,0.367459894,0.193299091,0.283885952,1.19E-10,9.63E-42,1.50E-94,4.52E-169,2.62E-265,0,0,0,0,0,0,0,0,7.848199507,5.985543633,3.119415313,27.43219049,14.48061236,7.587638415,6.853029808,13.07275635,13.07801163,3.66015025,6.568092839,7.13887439,6.067734027,6.515993398,2.146044585,0.741472175,2.597007651,1.09E-09,8.81E-41,1.37E-93,4.14E-168,2.40E-264,0,0,0,0,0,0,0,0,3.771411295,5.485138536,1.362466998,11.8303224,4.437614313,2.947013149,2.986374313,4.052494917,6.571879652,0.951345208,2.122946637,2.690207708,2.056477237,3.98437808,0.65504535,0.319085984,0.56785755,2.38E-10,1.93E-41,3.01E-94,9.05E-169,5.25E-265,0,0,0,0,0,0,0,0,7.983591842,1.277832988,0.393903526,0.826858658,0.13234485,0.596881979,0.542699391,0.499966897,9.655328356,13.84980491,27.52361769,0.740287986,1.639548267,6.641448482,0.660612691,0.084919389,0.899074856,0.089429326,0.412794316,0.144368001,0.023236742,7.386980562,5.007511723,12.76706975,0.848612283,0.58039906,7.174323902,0.905932917,0.207637859,0.865638884,0.109307967,0.481805851,0.272167996,0.138923142,8.287894678,8.177223403,17.81465124,0.798458326,0.892896989,7.950347107,1.2625694,0.386253949,0.828232725,0.131529011,0.59191054,0.529779002,0.480736813,9.599170456,13.59639036,27.0727258,0.742349088,1.602426355,7.411928679,1.015201969,0.262338532,0.852978303,0.116831299,0.514307868,0.34206316,0.221761261,8.68946918,9.73536567,20.39882857,0.779467455,1.078132289,8.087677184,1.325614256,0.417852308,0.822658827,0.134838254,0.612582284,0.584148952,0.562609583,9.831143748,14.65450573,28.96550264,0.73398824,1.759340818,7.966966628,1.264913134,0.386490285,0.828307352,0.131510134,0.594394277,0.531767546,0.481325288,9.618370048,13.64555257,27.15878649,0.742461028,1.60748711 +UMLRON0154,L,2-methyl-2-heptene,CCCCC=C(C)C,12330,[9] has RON of 79.8,UML,[1],C8H16,PubChem,,83.6,0,1.0604,1.12444816,30.368,15.894344,0,0,14,6,8,0,6,0,0,0,0,0,0,0,0,0,873.713238,962.44143,1061.330262,636.666411,107.017344,6.096384,0,0,0,2789.771366,3458.994341,4439.054761,3417.174011,1228.730375,186.5024666,0,0,0,98.990808,102.184152,172.562136,203.6883,124.125696,40.310784,0,0,0,20.29030324,25.64175448,35.43933477,30.62953801,13.35448353,2.667677429,0,0,0,2240.107353,1985.746518,3580.562204,4679.520352,3074.156902,1109.505912,0,0,0,28.5,34,52,50.25,24,6,0,0,0,62.40808843,68.74581643,44.22209425,21.95401417,5.945408,1.016064,0,0,0,199.2693833,247.0710244,184.9606151,117.8335866,68.26279863,31.08374443,0,0,0,7.070772,7.298868,7.190089,7.023734483,6.895872,6.718464,0,0,0,1.449307374,1.831553891,1.476638949,1.056190966,0.741915752,0.444612905,0,0,0,160.0076681,141.839037,149.1900918,161.3627708,170.7864946,184.917652,0,0,0,2.035714286,2.428571429,2.166666667,1.732758621,1.333333333,1,0,0,0,0.046692287,-0.001885002,-0.024380482,-0.009550722,0.001034338,0.011435724,0,0,0,415.0834594,2.77E-13,-192.7173204,-133.4196834,-14.82440927,133.4196834,0,0,0,771.8654175,1.85E-13,-358.3660867,-248.0995985,-27.56662205,248.0995985,0,0,0,0.081312,1.25E-15,-0.037752,-0.026136,-0.002904,0.026136,0,0,0,3.450597548,-1.67E-16,-1.602063147,-1.10912064,-0.123235627,1.10912064,0,0,0,18.74370065,2.89E-14,-8.702432443,-6.024760922,-0.66941788,6.024760922,0,0,0,2.714285714,0.071428571,-1.510204082,-0.836734694,0.153061224,0.765306122,0,0,0,0.003335163,-1.35E-04,-0.001015853,-3.29E-04,5.75E-05,0.001905954,0,0,0,29.64881853,1.98E-14,-8.029888352,-4.600678738,-0.823578293,22.2366139,0,0,0,55.13324411,1.32E-14,-14.93192028,-8.555158568,-1.531479003,41.34993308,0,0,0,0.005808,8.92E-17,-0.001573,-9.01E-04,-1.61E-04,0.004356,0,0,0,0.246471253,-1.19E-17,-0.066752631,-0.038245539,-0.006846424,0.18485344,0,0,0,1.33883576,2.06E-15,-0.362601352,-0.207750377,-0.037189882,1.00412682,0,0,0,0.193877551,0.005102041,-0.06292517,-0.02885292,0.008503401,0.12755102,0,0,0,-0.040370733,-0.3045888,-0.098746358,0.01722951,0.571472439,0,0,0,6.68E-16,-0.270833333,-0.155172414,-0.027777778,0.75,0,0,0,2.39E-16,-0.270833333,-0.155172414,-0.027777778,0.75,0,0,0,1.54E-14,-0.270833333,-0.155172414,-0.027777778,0.75,0,0,0,-4.83E-17,-0.270833333,-0.155172414,-0.027777778,0.75,0,0,0,1.54E-15,-0.270833333,-0.155172414,-0.027777778,0.75,0,0,0,0.026315789,-0.324561404,-0.148820327,0.043859649,0.657894737,0,0,0,1.078164008,1.349279935,1.048472548,0.728737864,0,0,0,0,1.083333333,1.263888889,1.045977011,0.842592593,0,0,0,0,1.083333333,1.263888889,1.045977011,0.842592593,0,0,0,0,1.083333333,1.263888889,1.045977011,0.842592593,0,0,0,0,1.083333333,1.263888889,1.045977011,0.842592593,0,0,0,0,1.083333333,1.263888889,1.045977011,0.842592593,0,0,0,0,1.026315789,1.396929825,1.073502722,0.665204678,0,0,0,0,15,7.5,11.5,15,2.5,7.501971149,-1.78E-15,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,15,7.5,11.5,15,2.5,7.501971149,-1.78E-15,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,15,7.5,11.5,15,2.5,7.501971149,-1.78E-15,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,15,7.5,11.5,15,2.5,7.501971149,-1.78E-15,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,15,7.5,11.5,15,2.5,7.501971149,-1.78E-15,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,15,7.5,11.5,15,2.5,7.501971149,-1.78E-15,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,16.21114958,7.966685902,12.36483405,16.17411254,2.695685424,7.967926453,-0.111111111,7.22E-16,1.20E-16,-20.91899904,4000004,666667.3333,9.121083551,0,11.8,12.2000406,-0.283910476,0.116140617,6.469625,6.892446621,6,14,12,12,4,2,2,0,0,2,8.745656,3.651216332,2.78450423,2.575436568,1.397562325,0.86540559,0.688243524,0.083923071,0.083923071,1.936543057,1.224439863,1.195696082,0.573504456,0.286367597,0.24227909,0.083923071,0.083923071,3.669512741,2.808317244,2.618897294,1.491194037,0.985397903,0.832040601,0.270913902,0.270913902,1.892596353,1.131777236,1.128697564,0.4307273,0.12318978,0.072888175,0.270913902,0.270913902,3.751324343,2.920211412,2.812965486,1.88172052,1.473624795,1.383117029,0.943918427,0.943918427,1.767959019,0.943919931,0.851903085,0.045499794,0.437920577,0.520908638,0.943918427,0.943918427,3.683058556,2.826249575,2.65114032,1.559288667,1.07208815,0.933369068,0.399277246,0.399277246,1.865043076,1.087024467,1.071994059,0.335125384,0.012758767,0.042414889,0.399277246,0.399277246,3.792101957,2.978812762,2.907866796,2.056040928,1.684196176,1.610293121,1.207644823,1.207644823,1.730364943,0.890764915,0.763549211,0.213281109,0.643045624,0.744909534,1.207644823,1.207644823,3.707549542,2.925315304,2.606599917,1.609149698,1.201343608,1.061896424,0.545454545,0.545454545,1.840780113,1.082739379,0.979193534,0.241929791,0.125261895,0.180253701,0.545454545,0.545454545,0,0,0,4,0,0,2,0,0,0,0,0,0.125,0,0,0,0,0.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,3.723614639,2.299659829,1.414213562,0.877664387,0.54203502,0.333333333,0,0,0.62060244,0.383276638,0.23570226,0.146277398,0.09033917,0.055555556,0,0,8.167311215,13.55134741,12.90196078,13.04,9.194217964,105.5984096,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,1.74498,26.974,21,27,42,7,21,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,36,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,2,0,4,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.722222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.438888889,0,0,0,0.761111111,0,1.438888889,0,0,0,0,0,0,0,0,0,0,2.277777778,0,8.722222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0,0,0.380555556,0,0.359722222,0,0,0,0,0,0,0,0,0,0,1.138888889,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0,0,0.380555556,0,0.359722222,0,0,0,0,0,0,0,0,0,0,1.138888889,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.380555556,2.180555556,0.359722222,1.138888889,3.540111111,0.361111111,0.180555556,1.444444444,0.361111111,0.180555556,1.444444444,3,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0,0,0,5,0.83333,3,0.5,2,0.33333,-1,-0.16667,0,0,3.20465,0.53411,5,1.79535,0.29922,1.91421,0.31904,3,1.08579,0.18096,-0.086,-0.01433,0,0,0.428571429,6,0,0,0,0,0,0,0.333333333,0.985228136,1.950212065,1.950212065,1.950212065,1.950212065,1.950212065,13.7931939,27.30296891,27.30296891,27.30296891,27.30296891,27.30296891,0.258769712,0.512222292,0.512222292,0.512222292,0.512222292,0.512222292,2.822126786,1.857142857,1.857142857,1.857142857,1.857142857,1.857142857,0.246307034,0.487553016,0.487553016,0.487553016,0.487553016,0.487553016,6.75154531,12.05010962,12.05010962,12.05010962,12.05010962,12.05010962,22.55053414,21.3369963,21.3369963,21.3369963,21.3369963,21.3369963,4.166666667,2.222222222,1.333333333,0,2,0,2.12,0.7594,0,0,0,0,9.125465128,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.115,0.112,0.477,0.52,3.004,6,6,6,6,0,0,0,0,0,36,2.197224577,2.397895273,2.564949357,2.833213344,3.044522438,0,0,0,0,0,4.290459441,2,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,13,18,3,9.000420062,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,0,94.70299035,3.584962501,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,65.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921172722,80.06260026,5.718757161,11.8125,1.96875,0,0,0,27,3,2.76,24,1.278845043,2.2770053,3.089788061,4.038656586,4.555454764,0,0,0,0,0,100.8926929,110.2353161,67.11151225,22.96312626,4.628633589,0,0,0,0,0,346.2869042,445.6602336,370.8222624,267.7830463,141.6005917,0,0,0,0,0,9.375647173,16.41632717,21.75262506,27.8123291,30.60565884,0,0,0,0,0,2.506788799,3.503500714,3.331373449,2.933114857,2.025413976,0,0,0,0,0,178.8047956,336.6729662,494.4021489,692.7533068,842.3839989,0,0,0,0,0,3.232064494,5.056255723,5.434434786,5.32436844,4.555454764,0,0,0,0,0,0.515346051,0.731471187,0.712398491,0.647538629,0.466478568,0,0,0,0,0,226.6403845,83.56119038,10.42669045,88.99968363,-32.81374378,-5.882894554,137.6407009,116.3749342,16.309585,0.718034266,0.264735687,0.033033482,0.281965734,-0.103959374,-0.018637984,71.53678641,26.37525983,3.291081283,28.09186621,-10.35733232,-1.856877238,0.155174427,0.227587741,3.98202034,4.917084024,315.6400681,0,1,0,408.9438978,20.22236133,7.422574706,487.2894356,22.07463331,7.869171288,595.2610613,24.39797248,8.412062513,1.112675271,1.050926565,199.4273886,109.1072508,104.1055791,1.827810592,1.915626332,1.048044223,3.210631455,3.915300274,4.993676917,0.275426294,2.557984613,0.257945033,6.888108942,5.492687565,2.191802853,2.333973162,5.883262652,2.334835678,2.721071645,7.91E-12,1.05E-44,2.87E-99,1.52E-175,1.55E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.214808466,0.257860375,0.87030454,0.662293357,1.037833122,0.16292089,0.306727785,0.016444453,0.01916473,5.57E-14,7.40E-47,2.02E-101,1.07E-177,1.09E-275,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.693100673,0.257866251,2.088247157,1.590883995,1.126080273,0.547642361,1.113383325,0.171363766,0.199711264,5.81E-13,7.71E-46,2.11E-100,1.12E-176,1.14E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.414537048,0.257935816,6.516017175,5.17666956,2.069046846,2.18038997,5.42455002,2.080296564,2.424425847,7.05E-12,9.36E-45,2.56E-99,1.35E-175,1.38E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.021433278,0.257873671,2.927420364,2.245374358,1.230396388,0.829092621,1.765596098,0.372224962,0.433799551,1.26E-12,1.67E-45,4.58E-100,2.42E-176,2.48E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.089106378,0.257983742,8.269982557,6.685814497,2.705480997,2.926095147,7.714878432,3.405138358,3.968427264,1.15E-11,1.53E-44,4.19E-99,2.22E-175,2.26E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.356233524,0.246099228,4.110975339,3.11639327,1.182469529,1.114366256,2.575110362,0.694661882,0.809575035,2.35E-12,3.12E-45,8.55E-100,4.52E-176,4.62E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.194041394,1.838305441,0.332277699,0.502687316,0.421182951,0.548441493,0.449672453,0.255220347,4.364624534,5.373177162,11.0779834,0.385805401,1.253334292,1.276568812,1.214122285,0.086984294,0.49524033,0.471014422,0.185679502,0.196139311,0.017485385,2.577675391,1.76656165,4.479054924,0.449382129,0.399304197,1.597587041,1.432520674,0.172811615,0.498790908,0.447254684,0.29079791,0.273059842,0.069023211,3.20291933,2.812214273,6.410626199,0.419068388,0.632880963,2.166390095,1.81949349,0.32488497,0.502553099,0.422080997,0.534705678,0.440516167,0.243988813,4.310768555,5.236686343,10.8280646,0.386951144,1.219210658,1.757488466,1.5413062,0.215562505,0.500088176,0.438574147,0.351917188,0.31610847,0.107403057,3.51435717,3.419924309,7.5182032,0.407993485,0.775428715,2.282629437,1.898574355,0.355962191,0.503095863,0.418449394,0.593620692,0.479641154,0.292905454,4.537165984,5.822092177,11.90190636,0.382317886,1.3661673,2.159501547,1.824674567,0.324720882,0.501172701,0.423466741,0.531315837,0.443034804,0.243740745,4.308896995,5.234132729,10.82255584,0.386959163,1.218091386 +UMLRON0155,L,"1,4-cyclohexadiene",C1C=CCC=C1,12343,,UML,[1],C6H8,PubChem,,75.4,0,-0.2734,0.07474756,30.1747,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1179.348079,1164.28335,1010.029949,815.305348,618.548619,421.79189,225.035161,50.46048,3823.307636,4570.930941,5543.450159,5325.632446,4381.00159,3374.203245,2367.4049,1360.606555,521.1139543,154.382624,152.43046,269.813976,342.096692,292.64872,229.76382,166.87892,103.99402,41.907456,28.53578067,35.11192034,47.01536668,48.22395873,40.09165568,31.07012682,22.04859796,13.0270691,5.34340305,3603.201977,3031.276161,5915.048498,8070.856175,6961.736324,5482.781169,4003.826014,2524.870859,982.3254949,51.5,50.75,67.5,80.25,70,57.75,46,33,16,53.10626655,56.15943233,30.63903553,20.6128561,19.4120321,18.74389755,17.57466208,15.00234407,8.41008,173.7867107,217.6633782,145.8802673,108.6863765,104.3095617,102.2485832,98.64187085,90.70710369,86.85232572,7.017392,7.258593333,7.100367789,6.981565143,6.967826667,6.96254,6.953288333,6.932934667,6.984576,1.297080939,1.671996207,1.237246492,0.984162423,0.95456323,0.941518994,0.918691582,0.868471273,0.890567175,163.781908,144.3464838,155.659171,164.7113505,165.7556268,166.1448839,166.8260839,168.3247239,163.7209158,2.340909091,2.416666667,1.776315789,1.637755102,1.666666667,1.75,1.916666667,2.2,2.666666667,0.066170033,-0.006401259,-0.030620264,-0.003615239,0.0040653,3.84E-04,0.005059751,-6.45E-04,-0.009823631,616.3360458,-49.02673092,-250.1363822,-19.01036505,12.00654635,11.00600082,10.00545529,9.00490976,-80.04364231,1146.103196,-91.16729966,-465.139284,-35.35058558,22.32668563,20.46612849,18.60557136,16.74501422,-148.8445709,0.120736,-0.009604,-0.049,-0.003724,0.002352,0.002156,0.00196,0.001764,-0.01568,5.123614541,-0.407560248,-2.079389018,-0.158033565,0.099810673,0.091493117,0.083175561,0.074858005,-0.665404486,27.8315555,-2.213873733,-11.29527415,-0.858440835,0.542173159,0.496992063,0.451810966,0.406629869,-3.614487728,10.59090909,1.16322314,-0.929752066,-0.452479339,-0.537190083,-0.886363636,-0.73553719,-0.47107438,-2.842975207,0.003007729,-3.05E-04,-8.06E-04,-7.38E-05,9.68E-05,1.16E-05,2.11E-04,-4.30E-05,-0.001637272,28.01527481,-2.334606234,-6.582536375,-0.387966634,0.285870151,0.333515176,0.41689397,0.600327317,-13.34060705,52.0955998,-4.341299984,-12.24050747,-0.721440522,0.531587753,0.620185712,0.77523214,1.116334282,-24.80742848,0.005488,-4.57E-04,-0.001289474,-7.60E-05,5.60E-05,6.53E-05,8.17E-05,1.18E-04,-0.002613333,0.23289157,-0.019407631,-0.054720764,-0.003225175,0.002376445,0.002772519,0.003465648,0.004990534,-0.110900748,1.265070705,-0.105422559,-0.297244057,-0.017519201,0.012908885,0.015060366,0.018825457,0.027108658,-0.602414621,0.481404959,0.055391578,-0.02446716,-0.009234272,-0.01279024,-0.026859504,-0.030647383,-0.031404959,-0.473829201,-0.1013462,-0.267908605,-0.02453027,0.032181378,0.00386842,0.070093735,-0.014302925,-0.5443549,-0.083333333,-0.234962406,-0.013848397,0.010204082,0.011904762,0.014880952,0.021428571,-0.476190476,-0.083333333,-0.234962406,-0.013848397,0.010204082,0.011904762,0.014880952,0.021428571,-0.476190476,-0.083333333,-0.234962406,-0.013848397,0.010204082,0.011904762,0.014880952,0.021428571,-0.476190476,-0.083333333,-0.234962406,-0.013848397,0.010204082,0.011904762,0.014880952,0.021428571,-0.476190476,-0.083333333,-0.234962406,-0.013848397,0.010204082,0.011904762,0.014880952,0.021428571,-0.476190476,0.115062334,-0.050824486,-0.019181922,-0.026568567,-0.055793991,-0.063662375,-0.065236052,-0.984263233,1.126897613,1.017198099,0.694134128,0.786246664,0.911203435,1.039255213,1.568208123,3.053577917,1.375,1.302631579,0.926020408,0.883928571,0.875,0.859375,0.825,1.375,1.375,1.302631579,0.926020408,0.883928571,0.875,0.859375,0.825,1.375,1.375,1.302631579,0.926020408,0.883928571,0.875,0.859375,0.825,1.375,1.375,1.302631579,0.926020408,0.883928571,0.875,0.859375,0.825,1.375,1.375,1.302631579,0.926020408,0.883928571,0.875,0.859375,0.825,1.375,0.849785408,0.54788796,0.728387492,0.826180258,1.021459227,1.321888412,1.916738197,4.626609442,40.98770734,20.49385367,33.35390971,40.98770734,5.123463417,20.49385367,1.07E-14,0.072265229,0.009033154,-2.101929756,32.6354243,4.079428038,2.788318667,40.98770734,20.49385367,33.35390971,40.98770734,5.123463417,20.49385367,1.07E-14,0.072265229,0.009033154,-2.101929756,32.6354243,4.079428038,2.788318667,40.98770734,20.49385367,33.35390971,40.98770734,5.123463417,20.49385367,1.07E-14,0.072265229,0.009033154,-2.101929756,32.6354243,4.079428038,2.788318667,40.98770734,20.49385367,33.35390971,40.98770734,5.123463417,20.49385367,1.07E-14,0.072265229,0.009033154,-2.101929756,32.6354243,4.079428038,2.788318667,40.98770734,20.49385367,33.35390971,40.98770734,5.123463417,20.49385367,1.07E-14,0.072265229,0.009033154,-2.101929756,32.6354243,4.079428038,2.788318667,40.98770734,20.49385367,33.35390971,40.98770734,5.123463417,20.49385367,1.07E-14,0.072265229,0.009033154,-2.101929756,32.6354243,4.079428038,2.788318667,66.08619873,32.34516094,53.85219756,65.60286539,8.200358174,32.34516094,-0.966666667,0.130289162,0.016286145,-1.630399181,33.42189358,4.177736698,2.807368945,0,11.69,12.31003934,-0.42298357,0.197214494,4.303055109,7.105963639,7,21,20,20,6,0,0,1,0,1,15.304898,3.501656631,3.262054573,2.855034817,2.340964818,1.818129763,1.394676134,1.1387503,0.309280163,1.89553741,1.681014114,1.383208254,1.082583786,0.828492947,0.637263069,0.524986126,0.083923071,3.526363255,3.288099724,2.891722952,2.3959536,1.89703543,1.498791624,1.261553679,0.443798515,1.83565292,1.615221419,1.307157659,0.985681691,0.703285697,0.491352246,0.368569834,0.270913902,3.639331989,3.405843108,3.050937162,2.631482646,2.228123674,1.920436488,1.743536691,0.956385838,1.662555825,1.430127078,1.082268459,0.676798203,0.290425354,0.002719486,0.170806825,0.943918427,3.544827076,3.307430318,2.918652159,2.436221305,1.954469589,1.573667286,1.348843628,0.538809313,1.79772084,1.57398301,1.258737904,0.921935964,0.619749297,0.393164647,0.262688294,0.399277246,3.696284651,3.465588269,3.127129879,2.740849708,2.377714939,2.103799317,1.94702925,1.207644823,1.610136364,1.375422734,1.010955214,0.573055757,0.147120341,0.180577452,0.369975265,1.16125544,3.790990452,3.301858396,2.939052712,2.441938427,1.946032126,1.568336393,1.354386427,0.692360567,1.919368775,1.603310724,1.189891974,0.79128148,0.493474731,0.318775731,0.218852085,0.5,1,1,0,0,0,1,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.612884175,3.349335306,2.014784317,1.174667653,0.653838768,0.337333827,0.139419384,0.051031036,0.701610522,0.478476472,0.335797386,0.234933531,0.163459692,0.112444609,0.069709692,0.051031036,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.66959,36.947,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,1,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,6,1,0,0,0,0,0,0,0,0,0,0,1,0,5,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561288974,0,0,7.687335601,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561288974,0,0,0,0,1.594609552,0.380555556,0,0,0,0,0,0,0,0,0,0,2.204240363,0,6.108424036,5.06074263,0,0,0,0,2.626592971,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561288974,0,0,2.626592971,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561288974,0,0,0,0,0.218016582,0.380555556,0,0,0,0,0,0,0,0,0,0,2.204240363,0,0.958333333,5.06074263,0,0,0,0,2.626592971,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561288974,0,0,5.06074263,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561288974,0,0,0,0,0.380555556,0.380555556,0,0,0,0,0,0,0,0,0,0,2.204240363,0,1.335,5.06074263,0,0,0,0,2.626592971,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,2,0.561288974,5.06074263,0.218016582,0.958333333,4.847287687,0.541666667,1.06074263,2.783151927,0.541666667,1.06074263,2.783151927,4,0.5,0,0,0.44545,0.7,0.42308,0.42308,0.7,0.02238,0.02238,0,0,0.71429,0,0,0.25,0,0,5.5,0.6875,3.5,0.4375,2,0.25,-1.5,-0.1875,0,0,6.25508,0.78188,7.95768,1.7026,0.21283,3.17836,0.3973,3.91421,0.73585,0.09198,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,1,0.945660305,1.909171785,2.970573096,3.390805482,3.11353887,2.895505621,20.8045267,42.00177927,65.35260811,74.59772061,68.49785514,63.70112365,0.212058483,0.428119982,0.666132671,0.760367188,0.698191863,0.649299253,3.513771314,2.550259833,1.488858523,1.068626137,1.345892749,1.563925998,0.209052139,0.422050544,0.656688938,0.749587497,0.688293628,0.640094167,6.786633838,15.75199389,19.8195666,18.86662344,15.96649656,18.36744784,31.28312609,21.63003896,17.32440458,18.19081909,22.08604088,19.43655014,8,7,7.2,8,2,8,2.34,1.1498,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.085,0.106,0.096,0.236,0.184,3.278,6,5,4,3,2,1,0,0,0,36,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,0,0,0,3.931825633,1.388888889,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,5,0.714285714,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,141.6514183,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,110.1095504,5.004979566,14.83110795,1.853888494,0,0,0,84,5,3.757,26,1.231238095,2.147854781,2.901329138,3.673667757,4.975630376,6.054506166,7.351678726,8.804398433,9.691616274,0,79.70770648,74.17536608,72.02381284,90.81492161,109.8526505,124.0809616,122.5762112,74.86910971,9.847302398,0,292.6733596,336.8430026,347.495688,446.5662818,560.0132218,654.9118249,709.8567202,770.8929973,301.2517234,0,8.970853788,15.30229913,20.31766333,25.77201657,34.77484566,42.25849982,51.09812682,61.52462483,65.11277504,0,2.192520915,2.799766238,3.043324385,3.916871522,5.009342412,5.936235431,6.671353127,7.890570727,4.309017664,0,175.620724,330.6353515,473.5971949,595.9238046,816.9653639,998.1317097,1227.691424,1439.103658,1792.150926,0,3.030547619,3.966364773,4.955395511,6.563890727,9.143904942,12.21867053,16.91505556,23.50671583,9.691616274,0,0.453629643,0.590642631,0.649284717,0.835472457,1.072492148,1.273749112,1.440312963,1.71944285,0.992421506,0,385.3307707,190.7938327,15.2888325,214.5427003,-106.2293156,-17.412782,170.7880704,297.0231483,32.70161451,0.642353412,0.318056793,0.025486762,0.357646588,-0.177086204,-0.029027425,231.1497068,114.4521586,9.171365019,128.6984743,-63.72414827,-10.44546598,0.249058451,0.241647419,12.81552284,11.54361843,599.8734709,0,1,0,475.0763511,21.79624626,7.802871785,611.1079801,24.7205983,8.48605779,705.7968942,26.56683824,8.9034826,2.816948797,2.816948797,912.5979228,881.837284,50.77765269,1.034882443,17.97243225,17.36664137,4.43367814,5.645455692,10.0483478,0.779900216,4.081736643,5.656828977,2.379319309,19.78143002,7.876493693,2.604267173,3.530276234,7.228041612,8.944197005,0.632761025,4.868511948,4.926257734,3.791462088,2.176761048,1.727059559,1.758529162,1.838471724,0.282775253,1.583117746,2.77E-09,9.32E-40,6.06E-92,7.60E-166,1.84E-261,0,0,0,0,0,0,0.352785717,5.656557618,0.173233238,4.853890686,0.05874647,1.129130348,0.472320222,0.263443287,3.386946845,0.023210782,1.098361112,0.267905502,0.137359549,0.699145326,0.144940147,0.661177082,0.080993355,0.023731368,0.011150028,1.95E-11,6.57E-42,4.27E-94,5.35E-168,1.29E-263,0,0,0,0,0,0,1.113944099,5.656576268,0.576644386,5.929233404,0.586429744,1.420567081,1.096197947,1.076542382,4.20431797,0.094624231,1.72055741,0.946926396,0.562536758,1.000746678,0.467884449,0.745234566,0.309753798,0.076607747,0.116191886,2.03E-10,6.84E-41,4.45E-93,5.58E-167,1.35E-262,0,0,0,0,0,0,3.853452939,5.656799367,2.227673324,18.17005946,7.020043505,2.510539378,3.342958465,6.586398294,8.491848362,0.576692056,4.585570731,4.544905893,3.454306443,2.086298397,1.630203342,1.64184552,1.68489812,0.266916772,1.41052941,2.46E-09,8.31E-40,5.40E-92,6.77E-166,1.64E-261,0,0,0,0,0,0,1.636455467,5.65659998,0.867498494,7.252856947,1.265804494,1.623500527,1.52456436,1.815392764,4.859536173,0.15938672,2.191433419,1.493770283,0.949630948,1.207789971,0.689575587,0.844487132,0.505383936,0.112905724,0.252384302,4.41E-10,1.49E-40,9.66E-93,1.21E-166,2.93E-262,0,0,0,0,0,0,4.926968446,5.656953365,2.959633945,26.53958844,11.4765673,2.955183273,4.223956666,9.848187287,10.74636444,0.861651509,5.975311619,6.447426739,5.168616301,2.511708152,2.085674534,2.246764848,2.45929481,0.341492071,2.308828448,4.03E-09,1.36E-39,8.84E-92,1.11E-165,2.68E-261,0,0,0,0,0,0,1.937014426,3.702928897,1.015146714,7.00265839,1.985728105,3.049940358,1.68433172,2.152574604,5.048444705,0.190464846,3.873864663,2.091420171,1.137672353,2.331210913,1.231924063,1.582175708,1.123426881,0.141387678,0.395779436,6.92E-10,2.33E-40,1.51E-92,1.90E-166,4.59E-262,0,0,0,0,0,0,8.007726908,0.85559955,0.451399916,0.85968461,0.091854502,0.473274766,0.608600576,0.545442758,9.314726373,10.85231236,23.25976351,0.789526915,1.6273181,8.199070434,0.370227733,0.090837065,0.946760093,0.042750803,0.494339694,0.111896163,0.022087798,8.660135232,3.813933155,12.74980641,0.920140139,0.628323655,8.125789893,0.555473569,0.228138568,0.912046607,0.062346897,0.486139434,0.2539576,0.139323268,8.909402031,6.494192529,16.43333483,0.868069911,0.879420302,8.012744724,0.842797073,0.441853694,0.861826813,0.090648728,0.473812134,0.590332708,0.522616615,9.297395491,10.66597166,22.9472572,0.792740219,1.586761456,8.091994754,0.641159572,0.291771621,0.896627274,0.071043195,0.482411377,0.339480163,0.227883209,9.024925947,7.736346485,18.27505943,0.844940912,1.049774749,7.991921195,0.895955676,0.48150575,0.85298269,0.095625903,0.471587885,0.667998804,0.620624889,9.369382621,11.43997098,24.25713082,0.779474035,1.760211578,8.148195758,0.842513041,0.440715894,0.863941135,0.089330411,0.48957452,0.588410782,0.519928542,9.431424694,10.82730946,23.28423166,0.795911703,1.597913844 +UMLRON0156,L,1-octyne,CCCCCCC#C,12370,,"Sandia, UML",[1],C8H14,PubChem,,50.5,0,0.6706,0.44970436,24.8614,15.46793,0,0,15,5,10,0,5,0,0,0,0,0,0,0,0,0,731.481245,698.127364,609.404043,433.898978,261.356425,81.787104,9.144576,0,0,2428.421953,2841.433771,3094.449545,2482.141517,1704.816405,968.1733981,279.7536999,0,0,104.88722,101.338384,169.297644,173.996552,125.346916,103.171968,60.466176,0,0,18.39062905,22.2910431,27.06861067,23.16214227,16.36770203,10.682782,4.001516144,0,0,2483.148301,2038.402901,3818.5223,4156.948561,2984.238502,2582.994154,1664.258868,0,0,28.25,33,44,40.5,28.5,21,9,0,0,48.76541633,49.86624029,25.39183512,17.35595912,14.51980139,5.4524736,1.016064,0,0,161.8947969,202.9595551,128.9353977,99.28566067,94.71202247,64.54489321,31.08374443,0,0,6.992481333,7.238456,7.0540685,6.95986208,6.963717556,6.8781312,6.718464,0,0,1.226041937,1.592217364,1.127858778,0.926485691,0.909316779,0.712185467,0.444612905,0,0,165.54322,145.6002072,159.1050959,166.2779425,165.7910279,172.1996103,184.917652,0,0,1.883333333,2.357142857,1.833333333,1.62,1.583333333,1.4,1,0,0,0.035677486,-0.002641695,-0.016378695,-0.004296719,-8.24E-04,6.12E-04,0.005690203,0,0,403.5533633,-53.80711511,-121.066009,-26.90355756,-80.71067267,-40.35533633,121.066009,0,0,750.4247115,-100.0566282,-225.1274134,-50.0283141,-150.0849423,-75.04247115,225.1274134,0,0,0.079053333,-0.010540444,-0.023716,-0.005270222,-0.015810667,-0.007905333,0.023716,0,0,3.354747616,-0.447299682,-1.006424285,-0.223649841,-0.670949523,-0.335474762,1.006424285,0,0,18.22304229,-2.429738973,-5.466912688,-1.214869486,-3.644608459,-1.822304229,5.466912688,0,0,2.9,-0.54,-0.59,-0.45,-0.23,-0.45,0.81,0,0,0.002378499,-1.89E-04,-6.82E-04,-1.72E-04,-4.58E-05,4.08E-05,6.32E-04,0,0,26.90355756,-3.843365365,-5.044417042,-1.076142302,-4.483926259,-2.690355756,13.45177878,0,0,50.0283141,-7.146902014,-9.380308893,-2.001132564,-8.33805235,-5.00283141,25.01415705,0,0,0.005270222,-7.53E-04,-9.88E-04,-2.11E-04,-8.78E-04,-5.27E-04,0.002635111,0,0,0.223649841,-0.031949977,-0.041934345,-0.008945994,-0.037274974,-0.022364984,0.111824921,0,0,1.214869486,-0.173552784,-0.227788029,-0.048594779,-0.202478248,-0.121486949,0.607434743,0,0,0.193333333,-0.038571429,-0.024583333,-0.018,-0.012777778,-0.03,0.09,0,0,-0.07933258,-0.286922799,-0.072259331,-0.019235535,0.017145061,0.2658167,0,0,-0.142857143,-0.1875,-0.04,-0.166666667,-0.1,0.5,0,0,-0.142857143,-0.1875,-0.04,-0.166666667,-0.1,0.5,0,0,-0.142857143,-0.1875,-0.04,-0.166666667,-0.1,0.5,0,0,-0.142857143,-0.1875,-0.04,-0.166666667,-0.1,0.5,0,0,-0.142857143,-0.1875,-0.04,-0.166666667,-0.1,0.5,0,0,-0.199507389,-0.127155172,-0.093103448,-0.066091954,-0.155172414,0.465517241,0,0,1.337986366,1.358792279,1.146198357,0.930831122,0.548025991,0.002985243,0,0,1.5,1.225,0.924,1.05,0.84,0,0,0,1.5,1.225,0.924,1.05,0.84,0,0,0,1.5,1.225,0.924,1.05,0.84,0,0,0,1.5,1.225,0.924,1.05,0.84,0,0,0,1.5,1.225,0.924,1.05,0.84,0,0,0,1.551724138,1.131465517,1.013793103,0.905172414,0.965517241,0,0,0,14.2225601,7.11128005,11.47798804,14.2225601,2.84451202,7.113216241,8.88E-16,0.074413151,0.01488263,-1.299061297,13.93540046,2.787080092,1.317216199,14.2225601,7.11128005,11.47798804,14.2225601,2.84451202,7.113216241,8.88E-16,0.074413151,0.01488263,-1.299061297,13.93540046,2.787080092,1.317216199,14.2225601,7.11128005,11.47798804,14.2225601,2.84451202,7.113216241,8.88E-16,0.074413151,0.01488263,-1.299061297,13.93540046,2.787080092,1.317216199,14.2225601,7.11128005,11.47798804,14.2225601,2.84451202,7.113216241,8.88E-16,0.074413151,0.01488263,-1.299061297,13.93540046,2.787080092,1.317216199,14.2225601,7.11128005,11.47798804,14.2225601,2.84451202,7.113216241,8.88E-16,0.074413151,0.01488263,-1.299061297,13.93540046,2.787080092,1.317216199,14.2225601,7.11128005,11.47798804,14.2225601,2.84451202,7.113216241,8.88E-16,0.074413151,0.01488263,-1.299061297,13.93540046,2.787080092,1.317216199,15.42893944,7.681136385,12.54644955,15.38893944,3.077787887,7.682210514,-0.066666667,0.151243532,0.030248706,-0.944431973,11.81221972,2.362443945,1.234567283,0,11.89,12.11005553,-0.181130783,0.043329537,5.054174008,6.416011099,4,14,13,13,3,1,1,0,0,1,10.93207,3.448329577,2.862373862,2.172895786,1.52330503,0.767959749,0.083923071,0.083923071,0.083923071,1.833187916,1.519753191,1.055710453,0.681364208,0.265232884,0.083923071,0.083923071,0.083923071,3.47278425,2.909324143,2.240736077,1.61891892,0.902166257,0.270913902,0.270913902,0.270913902,1.774189855,1.429849346,0.943252315,0.543299832,0.098768791,0.270913902,0.270913902,0.270913902,3.583041041,3.112420136,2.525989906,2.008465192,1.42701276,0.943918427,0.943918427,0.943918427,1.60556859,1.152089292,0.580018235,0.079944465,0.48028368,0.943918427,0.943918427,0.943918427,3.490948608,2.943774431,2.290097699,1.687796699,0.997522863,0.399277246,0.399277246,0.399277246,1.737030022,1.371402055,0.868890639,0.450702758,0.014271401,0.399277246,0.399277246,0.399277246,3.638286161,3.208589915,2.656006732,2.179289856,1.646913201,1.207644823,1.207644823,1.207644823,1.554691428,1.061606369,0.455962058,0.085257474,0.696140631,1.207644823,1.207644823,1.207644823,3.511975245,2.978384154,2.368755473,1.725044972,1.103367364,0.526315789,0.526315789,0.526315789,1.71646362,1.308867909,0.781238289,0.380314046,0.130935602,0.526315789,0.526315789,0.526315789,0,0,0,2,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,3.86180732,2.026038674,0.977283884,0.471404521,0.23570226,0,0,0,0.772361464,0.506509669,0.325761295,0.23570226,0.23570226,0,0,0,7.709139019,14.43918427,13.62745098,13.8,8.992772455,115.1412754,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.89869,24.835,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,2,0,2,0,0,0,0,0,0,0,0,2,0,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.676041667,0,0,0.533680556,0.580555556,0,0.676041667,0,0,0,0,0,0,0,0,4.15625,0,1.163194444,0,4.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331944444,0,0,0.243402778,0.290277778,0,0.331944444,0,0,0,0,0,0,0,0,2.03125,0,1.163194444,0,2.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.344097222,0,0,0.290277778,0.290277778,0,0.344097222,0,0,0,0,0,0,0,0,2.125,0,1.163194444,0,2.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.5,1.9,0.344097222,2.125,0.243402778,1.163194444,3.526715278,0.336805556,0.125,0.673611111,0.336805556,0.125,0.673611111,2.5,0.5,0,0,0.43333,0.7,0.41765,0.41765,0.7,0.01569,0.01569,0,0,0.71429,0,0,0.4,0,0,3,0.6,2,0.4,1,0.2,-1,-0.2,0,0,3.13981,0.62796,4.09272,0.95292,0.19058,1.81066,0.36213,2.41421,0.60355,0.12071,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4,0,0,0,0,0,0,0.6,0.918295834,2.040223929,3.006238929,3.006238929,2.555462691,1.78074227,13.77443751,30.60335893,45.09358393,45.09358393,38.33194036,26.71113405,0.235045188,0.522211687,0.769470978,0.769470978,0.654091183,0.455795274,2.988594762,1.866666667,0.900651667,0.900651667,1.351427905,2.126148326,0.235045188,0.522211687,0.769470978,0.769470978,0.654091183,0.455795274,6.73287657,14.90564042,17.34483785,15.87921452,14.02751927,6.055083307,19.74937501,13.98386437,12.15043656,13.42169695,10.80670472,8.830495524,5,4,4,5,2,5,2.01,0.7701,0.25,3.301927249,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,2.209,3,2,1,0,0,0,0,0,0,15,1.791759469,1.791759469,1.609437912,1.098612289,0,0,0,0,0,0,3.091042453,1.4,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,3,0.75,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,0,92.39992313,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,70.07825032,4.671883355,8.849873734,1.769974747,0,0,0,20,2,2.774,14,1.199422389,2.084412556,2.903428732,3.734646219,4.979588367,5.773481228,0,0,0,0,69.80323523,60.73299123,60.90224144,67.12913601,28.95428803,5.86622643,0,0,0,0,266.7814784,292.2280802,316.4619052,403.617679,335.0075491,179.461415,0,0,0,0,8.713940952,14.76154174,20.26399591,26.17273726,34.31516011,38.78892578,0,0,0,0,2.036416788,2.497782843,2.856494603,3.740308129,3.655147459,2.56696426,0,0,0,0,172.6454426,327.4030314,478.8193051,606.4779673,852.3138271,1067.618593,0,0,0,0,2.941348586,3.989541273,4.879032442,6.339152092,7.134006891,5.773481228,0,0,0,0,0.422764187,0.529703368,0.612574377,0.804137903,0.806357838,0.591204478,0,0,0,0,280.5296941,91.38257319,8.52059716,108.3720529,-35.30220603,-6.400569864,172.1576412,126.6847792,14.92116702,0.72133822,0.23497599,0.021909383,0.27866178,-0.0907741,-0.016458064,109.0984881,35.53884236,3.313675121,42.14608071,-13.7290896,-2.489192802,0.174607508,0.279480216,2.954946928,2.733464801,388.901747,0,1,0,270.7901045,16.45570128,6.46960248,371.1361407,19.264894,7.186394966,365.5794523,19.12013212,7.150349322,1.924820107,1.924820107,260.3217341,244.5996628,25.24869065,1.06427675,10.31030629,9.687617714,3.241125125,3.442976821,6.561715238,0.905826144,4.169276573,3.035832341,1.943174019,9.91223042,3.752123004,2.444485995,2.143075155,4.165729036,4.770403057,0.70123482,2.343440939,1.366822933,9.07E-09,1.16E-38,2.87E-90,1.37E-163,1.26E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0.349906205,3.03190539,0.159879605,3.084592906,0.034820129,0.073445292,0.474748954,0.197415274,1.082615063,0.028513784,0.067271977,0.009626646,6.39E-11,8.18E-41,2.02E-92,9.63E-166,8.85E-261,0,0,0,0,0,0,0,0,0,0,0,0,0,1.129521123,3.032167883,0.518217795,3.613025456,0.296949432,0.32277697,0.815286261,0.737559932,1.517736746,0.112035223,0.302425369,0.10031707,6.66E-10,8.53E-40,2.11E-91,1.00E-164,9.22E-260,0,0,0,0,0,0,0,0,0,0,0,0,0,3.935457456,3.035401227,1.831996077,9.188156278,3.34885355,2.216321794,2.040940133,3.82731966,4.432270766,0.641020336,2.122919728,1.217814625,8.09E-09,1.04E-38,2.56E-90,1.22E-163,1.12E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,1.664702324,3.03250814,0.765889333,4.232683669,0.624359082,0.563607281,1.049055527,1.188483121,1.910746388,0.185343,0.531982587,0.217902081,1.45E-09,1.85E-39,4.58E-91,2.18E-164,2.00E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,5.03500352,3.0376451,2.357093485,12.94069448,5.444741111,3.383527849,2.52123663,5.527107978,6.14994079,0.9457902,3.252100725,1.993382791,1.32E-08,1.69E-38,4.19E-90,1.99E-163,1.83E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,2.199755082,2.819027145,1.03875832,5.112985023,1.069545157,0.877887458,1.257161499,1.483313683,2.518435875,0.279191323,0.832072278,0.378621311,2.51E-09,3.22E-39,7.95E-91,3.79E-164,3.48E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,4.593372981,0.780053951,0.315088399,0.807481867,0.137127863,0.615921408,0.49347625,0.399999003,5.688515332,5.276183235,12.09368511,0.711222801,1.509396662,3.42606499,0.294793493,0.06792809,0.904264446,0.077806835,0.342659433,0.070385121,0.018590578,3.788786573,1.262732477,5.120125176,0.856396668,0.431635133,3.889652602,0.487552428,0.166092143,0.85612991,0.107312467,0.441654705,0.192653038,0.111145595,4.543297173,2.623428934,7.481704837,0.784194866,0.745453339,4.564471083,0.768042911,0.308969406,0.809090581,0.136142014,0.608194528,0.478386577,0.384613955,5.6414834,5.153293342,11.87793377,0.713635872,1.471195061,4.096306116,0.573459585,0.209847901,0.83947346,0.117521515,0.489829152,0.266586482,0.177420313,4.879613603,3.329006538,8.701566712,0.759210191,0.933835946,4.683857812,0.817656608,0.334245332,0.8026132,0.140111424,0.640427974,0.542232702,0.450116345,5.835759753,5.668642808,12.78449109,0.703919801,1.632777021,4.566555253,0.766896321,0.30861398,0.809376497,0.135924745,0.608748798,0.476921021,0.383729575,5.642065555,5.148052144,11.87090683,0.714064745,1.469399393 +UMLRON0157,L,2-Pentene,CCC=CC,12585,Sandia values from biocompoundML paper,Sandia,,C5H10,PubChem,,87.8,0,1.4802,2.19099204,30.3189,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,924.178589,686.110827,453.118514,154.429632,18.289152,0,0,2914.106344,3494.423905,4233.124071,3907.204221,2814.464344,1656.593096,559.5073998,0,0,125.864664,123.114164,212.050868,238.877292,228.143432,145.87776,120.932352,0,0,22.06875486,27.30703172,35.7627251,35.52832815,27.38797691,17.36404786,8.003032287,0,0,2979.777961,2471.442353,4748.191412,5476.928195,5604.494673,3501.729441,3328.517736,0,0,33.77777778,39.33333333,55,61,49,33,18,0,0,48.76541633,50.97680359,30.80595297,20.17973021,13.73086406,7.353792,1.016064,0,0,161.8947969,205.5543474,141.1041357,114.9177712,85.28679831,78.88538554,31.08374443,0,0,6.992481333,7.242009647,7.068362267,7.025802706,6.913437333,6.94656,6.718464,0,0,1.226041937,1.606295984,1.192090837,1.044950828,0.829938694,0.826859422,0.444612905,0,0,165.54322,145.3789619,158.2730471,161.0861234,169.8331719,166.749021,184.917652,0,0,1.87654321,2.31372549,1.833333333,1.794117647,1.484848485,1.571428571,1,0,0,0.038739543,-0.005318411,-0.006860597,-0.014913254,0.001730692,-0.005514603,0.011506402,0,0,484.264036,-53.80711511,-40.35533633,-228.6802392,40.35533633,-201.7766817,242.132018,0,0,900.5096538,-100.0566282,-75.04247115,-425.2406698,75.04247115,-375.2123557,450.2548269,0,0,0.094864,-0.010540444,-0.007905333,-0.044796889,0.007905333,-0.039526667,0.047432,0,0,4.025697139,-0.447299682,-0.335474762,-1.901023649,0.335474762,-1.677373808,2.01284857,0,0,21.86765075,-2.429738973,-1.822304229,-10.32639063,1.822304229,-9.111521147,10.93382538,0,0,3.530864198,-1.235939643,0.843621399,-1.990397805,0.748971193,-1.711934156,1.580246914,0,0,0.002152197,-3.13E-04,-2.29E-04,-4.39E-04,5.24E-05,-2.63E-04,6.39E-04,0,0,26.90355756,-3.165124418,-1.345177878,-6.725889389,1.22288898,-9.608413413,13.45177878,0,0,50.0283141,-5.885684011,-2.501415705,-12.50707852,2.274014277,-17.86725503,25.01415705,0,0,0.005270222,-6.20E-04,-2.64E-04,-0.001317556,2.40E-04,-0.001882222,0.002635111,0,0,0.223649841,-0.026311746,-0.011182492,-0.05591246,0.010165902,-0.079874943,0.111824921,0,0,1.214869486,-0.142925822,-0.060743474,-0.303717372,0.05522134,-0.433881959,0.607434743,0,0,0.196159122,-0.072702332,0.028120713,-0.058541112,0.022696097,-0.081520674,0.087791495,0,0,-0.145362031,-0.106257271,-0.203803444,0.024368221,-0.122014924,0.297019547,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.370629371,0.143356643,-0.298436857,0.115702479,-0.415584416,0.447552448,0,0,1.427202771,1.144646009,1.403409204,0.873431703,0.847932943,0.002912317,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.762237762,0.82027972,1.384615385,0.68086459,1.375624376,0,0,0,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,23.34439958,11.60275535,17.78940131,23.25180699,3.875301165,11.60277715,-0.138888889,0.120260574,0.020043429,-1.270856665,14.94631712,2.491052853,1.622678954,0,11.89,12.11007471,-0.154954146,0.067228264,5.295743165,7.50302765,5,17,16,16,4,1,1,0,0,1,13.118484,3.517606619,2.973446727,2.333552793,2.144218941,1.212755647,0.714238454,0.083923071,0.083923071,1.876614671,1.562795977,1.249629723,1.006105503,0.454457131,0.242677753,0.083923071,0.083923071,3.540212065,3.013827555,2.405454588,2.210649939,1.314575117,0.85296352,0.270913902,0.270913902,1.821017008,1.479346258,1.134540686,0.896768592,0.306288247,0.074238581,0.270913902,0.270913902,3.642387894,3.191621124,2.704236987,2.48977734,1.731762504,1.391492478,0.943918427,0.943918427,1.66333078,1.226940148,0.76031856,0.542581238,0.191473927,0.513929033,0.943918427,0.943918427,3.557013739,3.043627675,2.457539916,2.258979998,1.388112991,0.95125216,0.399277246,0.399277246,1.786115895,1.425528926,1.058262671,0.824386046,0.206853942,0.040284473,0.399277246,0.399277246,3.693794691,3.277571518,2.838982085,2.616800193,1.915254049,1.615628258,1.207644823,1.207644823,1.616067843,1.146660394,0.631337262,0.421299785,0.368828517,0.734374911,1.207644823,1.207644823,3.556782529,3.083747819,2.546278942,2.343749412,1.420038507,1.048111874,0.529411765,0.529411765,1.788931672,1.355414829,0.958043648,0.730094412,0.145135207,0.155381273,0.529411765,0.529411765,0,0,0,2,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.333333333,0,0,0,0.288675135,0.288675135,0,0.19245009,0.19245009,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.732050808,2.398717474,1.769800359,0.577350269,0.384900179,0,0,0,0.788675135,0.479743495,0.353960072,0.19245009,0.19245009,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,2,0,2,0,0,0,0,0,0,0,0,3,0,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.240740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.632638889,0,0,0.777083333,0.580555556,0,0.632638889,0,0,0,0,0,0,0,0,6.375,0,0,0,4.240740741,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.074074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.243402778,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.041666667,0,0,0,2.074074074,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.328472222,0,0,0.290277778,0.290277778,0,0.328472222,0,0,0,0,0,0,0,0,2.166666667,0,0,0,2.166666667,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.33333333,1.888888889,0.328472222,2.166666667,0.243402778,0.717592593,4.246384259,0.615740741,0.166666667,1.231481481,0.615740741,0.166666667,1.231481481,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.61349,0.76891,5.69868,1.0852,0.18087,2.19337,0.36556,2.77005,0.57668,0.09611,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.99107606,2.821888196,2.821888196,2.521052779,2.006349306,16.52932501,35.83936908,50.79398752,50.79398752,45.37895002,36.11428751,0.220218789,0.477484861,0.676723969,0.676723969,0.604579885,0.481147576,3.251629167,2.178848942,1.348036806,1.348036806,1.648872223,2.163575695,0.220218789,0.477484861,0.676723969,0.676723969,0.604579885,0.481147576,6.73287657,14.84279915,16.90146519,15.68011242,14.051801,8.440120483,23.69925001,16.64860504,15.1849632,16.39047709,13.9585639,10.54227292,6,3.2,5.333333333,6,2,5,2.12,0.911,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,2.48,5,3,2,0,0,0,0,0,0,21,1.945910149,2.079441542,1.945910149,1.609437912,0,0,0,0,0,0,3.401197382,1.380952381,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,109.6959078,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,84.09390038,4.671883355,10.67917749,1.779862916,0,0,0,32,3,3.278,20,1.207777307,2.100347399,2.947993387,3.63906745,4.735679952,5.494114911,0,0,0,0,72.17680264,74.6609702,67.65306525,60.72704257,37.25717536,5.582372373,0,0,0,0,273.0495085,325.3187108,361.4276531,346.3148855,391.9188146,170.7776638,0,0,0,0,8.780679587,14.91368779,20.7606745,25.2609901,32.98421197,36.91201324,0,0,0,0,2.074527764,2.682059372,3.21672964,3.255527663,4.062420661,2.44275439,0,0,0,0,173.472061,327.5315904,471.4214515,610.3511637,782.6981651,1015.958829,0,0,0,0,2.88508613,4.051417023,5.430845018,5.67669555,7.661056495,5.494114911,0,0,0,0,0.43031469,0.565457773,0.686937878,0.703154173,0.887465439,0.562597367,0,0,0,0,300.1519509,111.1185936,9.133708802,81.57780189,-30.20073862,-5.141604136,218.574149,141.3193322,14.27531294,0.786294358,0.291092305,0.02392716,0.213705642,-0.079115496,-0.013469226,114.57693,42.41727327,3.486608403,31.14067415,-11.52852049,-1.962703276,0.154365035,0.245231668,2.369920309,3.724995142,381.7297528,0,1,0,330.8250228,18.18859595,6.916177283,451.1312039,21.23984943,7.669510079,493.4562039,22.21387413,7.902227668,1.787320262,1.69008845,328.4475181,281.4177239,70.50839399,1.167117386,4.658275413,3.99126555,3.73606158,3.460904461,6.770737121,0.95634904,4.956886367,3.899845754,1.928852211,11.8606887,5.942461605,5.122209536,2.495709049,6.343598514,6.27831563,1.19021386,3.699169865,7.12E-04,0.005215362,8.00E-24,2.37E-66,1.35E-130,1.49E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,0.416003953,3.894174968,0.157875328,5.046897651,0.617980923,0.348801239,0.546311837,1.013529663,1.154299003,0.080834614,0.096769751,5.02E-06,3.67E-05,5.64E-26,1.67E-68,9.52E-133,1.05E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,1.342894862,3.894554008,0.512276433,5.555414495,1.116563988,1.178817129,0.914350431,1.480033399,1.769537681,0.273497754,0.453181721,5.23E-05,3.83E-04,5.87E-25,1.74E-67,9.92E-132,1.09E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,4.678896799,3.89922319,1.817924995,11.13141658,5.408394889,4.778922718,2.365799585,5.79743756,5.812265853,1.110346509,3.344586045,6.35E-04,0.004646794,7.13E-24,2.11E-66,1.20E-130,1.33E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,1.979176413,3.895045357,0.757667749,6.166475381,1.6334913,1.791454107,1.175867875,1.98480296,2.319758253,0.41578637,0.810354981,1.14E-04,8.31E-04,1.28E-24,3.77E-67,2.15E-131,2.37E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,5.986156611,3.902463531,2.342414862,14.91526289,8.156158805,6.451223386,2.988705355,8.615418895,8.176882826,1.499497253,5.164234984,0.001038596,0.007606115,1.17E-23,3.45E-66,1.97E-130,2.17E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,2.706896014,3.314548029,1.019869007,7.251544667,2.397465211,2.574735637,1.412454041,2.759382075,3.166446059,0.59772273,1.294597394,2.00E-04,0.001461745,2.24E-24,6.64E-67,3.79E-131,4.17E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,4.251478662,1.293632416,0.465437426,0.70733622,0.215227016,0.554072354,0.489194233,0.315754234,6.010548505,8.080752843,16.65113766,0.561004331,1.359020821,3.210626717,0.69906417,0.141864596,0.792442984,0.172542169,0.316093593,0.141782027,0.02917771,4.051555483,2.799080819,7.169042039,0.688664476,0.48705333,3.623998155,0.934385429,0.271220341,0.75037171,0.193470405,0.402661147,0.253835933,0.107126468,4.829603924,4.622537418,10.37055066,0.625557565,0.763623548,4.225708199,1.278845586,0.457495572,0.708767732,0.214497652,0.547378936,0.477963399,0.305081162,5.962049357,7.922337258,16.35670562,0.563151598,1.330423498,3.808264592,1.039683398,0.328464149,0.735695785,0.200850197,0.444623003,0.314736799,0.157233679,5.176412139,5.551766582,12.02869621,0.603543678,0.91659348,4.332159599,1.339940383,0.490286405,0.70300032,0.217438554,0.575290887,0.525225896,0.350323285,6.162386387,8.585789101,17.59420746,0.554500479,1.450840067,4.229388051,1.279451014,0.456817366,0.708956022,0.214469443,0.548342653,0.478395599,0.304124891,5.965656432,7.927828185,16.36545807,0.563434033,1.330863143 +UMLRON0158,L,4-methyl-2-pentene,CC=CC(C)C,12659,[9] has RON of 98.9,UML,[1],C6H12,PubChem,,99.3,0,1.3428,1.80311184,29.2804,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,935.269613,711.341067,448.123874,129.199392,12.192768,0,0,2914.106344,3494.423905,4316.776942,4167.761199,2917.313939,1396.036119,373.0049332,0,0,125.864664,123.114164,212.450036,259.83102,268.055048,124.924032,80.621568,0,0,22.06875486,27.30703172,36.43165651,38.20002968,29.38672294,14.69234634,5.335354858,0,0,2979.777961,2471.442353,4716.396308,5968.090942,6745.79569,3010.566693,2219.011824,0,0,37.02777778,40.66666667,53.83333333,65.33333333,59.66666667,34,12,0,0,48.76541633,50.97680359,31.17565377,19.22543424,11.49035574,7.177744,1.016064,0,0,161.8947969,205.5543474,143.8925647,112.6421946,74.80292151,77.55756218,31.08374443,0,0,6.992481333,7.242009647,7.081667867,7.02246,6.873206359,6.940224,6.718464,0,0,1.226041937,1.606295984,1.21438855,1.032433235,0.753505716,0.816241463,0.444612905,0,0,165.54322,145.3789619,157.2132103,161.2997552,172.9691202,167.2537052,184.917652,0,0,2.057098765,2.392156863,1.794444444,1.765765766,1.52991453,1.888888889,1,0,0,0.044427613,-0.008965497,-0.014090422,-0.004657831,0.007177535,-0.016508382,0.01483079,0,0,484.264036,-53.80711511,-80.71067267,-269.0355756,161.4213453,-161.4213453,161.4213453,0,0,900.5096538,-100.0566282,-150.0849423,-500.283141,300.1698846,-300.1698846,300.1698846,0,0,0.094864,-0.010540444,-0.015810667,-0.052702222,0.031621333,-0.031621333,0.031621333,0,0,4.025697139,-0.447299682,-0.670949523,-2.236498411,1.341899046,-1.341899046,1.341899046,0,0,21.86765075,-2.429738973,-3.644608459,-12.14869486,7.289216918,-7.289216918,7.289216918,0,0,5.470679012,-1.470764746,-0.159465021,-1.765346365,2.694701646,-3.294753086,1.260288066,0,0,0.002468201,-5.27E-04,-4.70E-04,-1.26E-04,1.84E-04,-9.17E-04,0.001235899,0,0,26.90355756,-3.165124418,-2.690355756,-7.271231772,4.139008855,-8.967852519,13.45177878,0,0,50.0283141,-5.885684011,-5.00283141,-13.52116597,7.696663707,-16.6761047,25.01415705,0,0,0.005270222,-6.20E-04,-5.27E-04,-0.001424384,8.11E-04,-0.001756741,0.002635111,0,0,0.223649841,-0.026311746,-0.022364984,-0.060445903,0.034407668,-0.074549947,0.111824921,0,0,1.214869486,-0.142925822,-0.121486949,-0.328343104,0.186902998,-0.404956495,0.607434743,0,0,0.303926612,-0.086515573,-0.005315501,-0.047712064,0.069094914,-0.183041838,0.105024005,0,0,-0.213670709,-0.190292767,-0.05100368,0.074564184,-0.37157931,0.500728802,0,0,-0.117647059,-0.1,-0.27027027,0.153846154,-0.333333333,0.5,0,0,-0.117647059,-0.1,-0.27027027,0.153846154,-0.333333333,0.5,0,0,-0.117647059,-0.1,-0.27027027,0.153846154,-0.333333333,0.5,0,0,-0.117647059,-0.1,-0.27027027,0.153846154,-0.333333333,0.5,0,0,-0.117647059,-0.1,-0.27027027,0.153846154,-0.333333333,0.5,0,0,-0.284659421,-0.017489422,-0.156985476,0.227340783,-0.6022567,0.345557123,0,0,1.486837637,1.096703292,0.927418842,0.732238503,1.660772749,0.171412762,0,0,1.5,1.204166667,1.263513514,0.599358974,1.180555556,0,0,0,1.5,1.204166667,1.263513514,0.599358974,1.180555556,0,0,0,1.5,1.204166667,1.263513514,0.599358974,1.180555556,0,0,0,1.5,1.204166667,1.263513514,0.599358974,1.180555556,0,0,0,1.5,1.204166667,1.263513514,0.599358974,1.180555556,0,0,0,1.624823695,0.75528914,1.003163954,0.566605186,2.416925247,0,0,0,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,30.47194687,15.03111233,24.23596966,30.19879873,5.033133121,15.03111302,-0.409722222,0.07246744,0.012077907,-1.57477075,14.46318437,2.410530728,1.602963847,0,11.79,12.21003864,-0.306825676,0.113388988,5.124354161,7.412007173,5,17,16,16,4,1,1,0,0,1,13.118484,3.494018132,3.029130969,2.333552793,2.103266247,1.109116892,0.871664064,0.083923071,0.083923071,1.884575859,1.545299122,1.249629723,1.006023519,0.418142065,0.333540386,0.083923071,0.083923071,3.519622947,3.063686206,2.405454588,2.171084284,1.219049038,1.002916581,0.270913902,0.270913902,1.82608164,1.470540254,1.134540686,0.889412067,0.265130178,0.170625408,0.270913902,0.270913902,3.633521744,3.217086891,2.704236987,2.459835573,1.664422796,1.51479584,0.943918427,0.943918427,1.65650868,1.247838048,0.76031856,0.515068227,0.254526309,0.394817936,0.943918427,0.943918427,3.538557411,3.089248084,2.457539916,2.220656736,1.298159117,1.096025329,0.399277246,0.399277246,1.789043687,1.422620954,1.058262671,0.812442147,0.162058693,0.06009497,0.399277246,0.399277246,3.689739079,3.292094647,2.838982085,2.592983945,1.857726164,1.729245421,1.207644823,1.207644823,1.604463575,1.178080874,0.631337262,0.388476204,0.442200776,0.605254737,1.207644823,1.207644823,3.549920844,3.185260083,2.511069867,2.262249816,1.345625704,1.148869465,0.507042254,0.507042254,1.855456745,1.309768955,0.989943107,0.723131563,0.114684593,0.032242705,0.507042254,0.507042254,0,0,1,1,0,2,1,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.288675135,0,0.23570226,0.166666667,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.568914101,2.37944541,1.918224245,0.638071187,0.333333333,0,0,0,0.761485683,0.475889082,0.383644849,0.212690396,0.166666667,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,4,1,0,2,0,0,0,0,0,0,0,0,2,1,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.549907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.386597222,0.328472222,0,0,0.984930556,0.290277778,0,0.715069444,0,0,0,0,0,0,0,0,4.364444444,3.600833333,1.138888889,0,1.949074074,0,0.780092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.386597222,0.328472222,0,0,0.225625,0.290277778,0,0.328472222,0,0,0,0,0,0,0,0,2.182222222,3.600833333,1.138888889,0,1.949074074,0,0.780092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.600833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.386597222,0.328472222,0,0,0.290277778,0.290277778,0,0.386597222,0,0,0,0,0,0,0,0,2.182222222,3.600833333,1.138888889,0,1.949074074,0,0.780092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.972222222,0.386597222,3.600833333,0.225625,0.780092593,4.456729537,0.553240741,0.600833333,1.930555556,0.553240741,0.600833333,1.930555556,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.49385,0.74898,5.69868,1.20483,0.20081,2.20517,0.36753,2.77005,0.56488,0.09415,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.209690973,2.974937501,2.974937501,2.743275001,1.927736112,16.52932501,39.77443751,53.54887502,53.54887502,49.37895002,34.69925001,0.220218789,0.529911443,0.7134271,0.7134271,0.657871544,0.462295152,3.251629167,1.960234029,1.1949875,1.1949875,1.42665,2.24218889,0.220218789,0.529911443,0.7134271,0.7134271,0.657871544,0.462295152,6.73287657,16.28447751,17.05571211,17.05571211,14.27576211,8.360892138,23.69925001,15.57894792,14.82857223,14.82857223,13.43859723,9.954219449,6,3.2,5.333333333,6,2,5,2.12,0.911,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.126,0.12,0.128,0.152,2.433,5,3,2,0,0,0,0,0,0,21,1.945910149,1.945910149,1.609437912,1.609437912,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,109.6959078,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,84.09390038,4.671883355,10.67917749,1.779862916,0,0,0,32,3,3.327,20,1.219,2.123579622,2.909438799,3.498403342,4.533909411,5.439833782,0,0,0,0,72.30904117,74.90014097,62.60967458,48.90558465,35.28795907,5.527219272,0,0,0,0,274.3286679,330.2950322,346.1482562,290.3103911,372.3407054,169.090403,0,0,0,0,8.860546952,15.09408561,20.47058789,24.12522901,31.56512981,36.54732743,0,0,0,0,2.086978642,2.72943982,3.114291036,2.822167601,3.866306651,2.4186203,0,0,0,0,175.1912326,329.8629259,466.5129854,599.1412027,750.4447495,1005.92129,0,0,0,0,2.980509804,3.962617959,5.26983962,5.693757123,8.923678441,5.439833782,0,0,0,0,0.432999265,0.575542722,0.666205125,0.613644371,0.844916658,0.557038979,0,0,0,0,332.0077004,130.8876858,10.31992935,148.0602511,-58.36992212,-9.364469661,183.9474494,189.2576079,19.68439901,0.691584805,0.272644082,0.02149681,0.308415195,-0.121586792,-0.01950655,159.3862566,62.83498318,4.954267343,71.07898143,-28.02152894,-4.495581767,0.143667885,0.260309515,2.32010635,6.71283422,480.0679515,0,1,0,331.0578085,18.19499405,6.917799096,447.9391783,21.16457366,7.651378443,499.7272835,22.35458082,7.935561963,1.544623655,1.281441922,305.7734471,260.2967645,69.20063206,1.174710903,4.418651073,3.76147958,3.632738058,3.477616438,6.522110511,0.875454245,3.591793317,3.914864138,2.977028568,11.37549192,4.730848996,3.837831281,3.935320114,4.874650797,2.392507191,1.299852585,0.680943934,1.904596212,2.41E-10,5.90E-42,2.78E-95,2.53E-170,4.43E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0.301445031,3.914691837,0.183261635,5.070796325,0.425864526,0.236441932,0.325373996,0.248986696,0.826555723,0.059926547,0.035428352,0.013414227,1.70E-12,4.15E-44,1.96E-97,1.78E-172,3.12E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0.973075264,3.914703751,0.635462187,5.911167562,0.724026083,0.812572135,0.834786224,0.909252444,1.012558254,0.22584383,0.128678013,0.139786586,1.77E-11,4.33E-43,2.04E-96,1.85E-171,3.25E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390360553,3.914845363,2.764228022,10.83154783,4.261911826,3.56111136,3.633855849,4.491025604,2.249362812,1.193104493,0.627801015,1.696960935,2.15E-10,5.25E-42,2.48E-95,2.25E-170,3.95E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.434128364,3.914718835,0.980940178,6.620646469,1.101090138,1.255274922,1.252017769,1.446809145,1.179924102,0.365625813,0.204126536,0.303635144,3.85E-11,9.40E-43,4.43E-96,4.03E-171,7.06E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,4.337608177,3.914942997,3.812357793,13.56884096,6.700316172,4.926263074,5.142869642,6.409090365,2.976186965,1.730110029,0.893178314,2.777674578,3.52E-10,8.60E-42,4.05E-95,3.69E-170,6.46E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.912741976,2.66705862,1.272767873,6.580451539,1.538225129,1.774429248,1.956126828,2.081434118,1.866626158,0.673748467,0.277502053,0.489656158,6.20E-11,1.52E-42,7.15E-96,6.50E-171,1.14E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,3.583899784,1.259905539,0.480005145,0.673183203,0.236654845,0.46266578,0.494336745,0.404705929,5.323810468,6.840426666,14.33164046,0.509774805,1.361708453,2.980623029,0.681968549,0.142250932,0.78337619,0.179236998,0.320430667,0.146884908,0.035100426,3.804842511,2.55369823,6.647692953,0.675064285,0.502416002,3.220173572,0.910454621,0.277499087,0.730508302,0.206540003,0.373798526,0.259671326,0.135156708,4.408127279,4.078067459,9.299772641,0.595762452,0.76862656,3.568959284,1.245511119,0.471734699,0.675145821,0.23561536,0.458829359,0.483183075,0.390943274,5.286205101,6.716331215,14.09948124,0.512718732,1.332955708,3.326973305,1.01281638,0.337246447,0.711342229,0.216550899,0.398912492,0.320612296,0.199936486,4.677036132,4.83319171,10.64661787,0.567013343,0.919461273,3.630676097,1.304989304,0.505877431,0.667214466,0.239819725,0.474780104,0.530097455,0.449253558,5.441542831,7.234835203,15.073222,0.5008217,1.454131117,3.597864274,1.243664971,0.470530604,0.677301156,0.234121039,0.466329675,0.481927808,0.388917064,5.312059849,6.752625448,14.17009226,0.515951733,1.337174547 +UMLRON0159,L,4-Methyl-1-Pentene,CC(C)CC=C,12724,,"Sandia, UML",[1],C6H12,PubChem,,95.7,0,0.9442,0.89151364,26.8294,17.22793,0,0,16,6,10,0,6,0,0,0,0,0,0,0,0,0,875.745366,986.655606,1221.765727,577.151906,138.343968,12.192768,0,0,0,2851.938855,3688.467574,5101.643257,3796.813424,1675.789819,373.0049332,0,0,0,112.427736,116.419416,214.09414,245.971208,185.390208,80.621568,0,0,0,21.17952905,27.8688431,41.1202307,35.63544818,18.69386248,5.335354858,0,0,0,2609.942657,2291.991614,4600.149716,5624.58383,4674.825562,2219.011824,0,0,0,27.52777778,33.66666667,53.75,56.16666667,34,12,0,0,0,54.73408538,61.66597537,40.72552423,16.49005446,5.123850667,1.016064,0,0,0,178.2461784,230.5292234,170.0547752,108.4803836,62.06628959,31.08374443,0,0,0,7.0267335,7.2762135,7.136471333,7.0277488,6.866304,6.718464,0,0,0,1.323720566,1.741802694,1.370674357,1.018155662,0.692365277,0.444612905,0,0,0,163.121416,143.2494759,153.3383239,160.7023951,173.1416875,184.917652,0,0,0,1.720486111,2.104166667,1.791666667,1.604761905,1.259259259,1,0,0,0,0.030096513,0.003196455,-0.008016671,-0.028352693,0.008597938,0.009526714,0,0,0,453.9975338,3.98E-13,-49.18306616,-387.7895601,5.674969172,204.2988902,0,0,0,844.2278004,1.56E-13,-91.45801171,-721.1112462,10.5528475,379.9025102,0,0,0,0.088935,1.37E-15,-0.009634625,-0.075965312,0.001111687,0.04002075,0,0,0,3.774091068,1.17E-15,-0.408859866,-3.223702787,0.047176138,1.698340981,0,0,0,20.50092258,5.11E-14,-2.22093328,-17.51120471,0.256261532,9.225415162,0,0,0,2.109375,-0.154513889,0.156032986,-1.878146701,0.008138021,0.813802083,0,0,0,0.001881032,2.00E-04,-2.67E-04,-8.10E-04,3.18E-04,7.94E-04,0,0,0,28.37484586,2.49E-14,-1.639435539,-11.07970172,0.210184043,17.02490752,0,0,0,52.76423752,9.77E-15,-3.04860039,-20.60317846,0.390846204,31.65854251,0,0,0,0.005558437,8.55E-17,-3.21E-04,-0.002170437,4.12E-05,0.003335062,0,0,0,0.235880692,7.29E-17,-0.013628662,-0.092105794,0.001747264,0.141528415,0,0,0,1.281307661,3.19E-15,-0.074031109,-0.500320134,0.009491168,0.768784597,0,0,0,0.131835938,-0.009657118,0.0052011,-0.053661334,3.01E-04,0.06781684,0,0,0,0.106206836,-0.142061567,-0.430655577,0.169291192,0.422051722,0,0,0,8.76E-16,-0.057777778,-0.39047619,0.007407407,0.6,0,0,0,1.85E-16,-0.057777778,-0.39047619,0.007407407,0.6,0,0,0,1.54E-14,-0.057777778,-0.39047619,0.007407407,0.6,0,0,0,3.09E-16,-0.057777778,-0.39047619,0.007407407,0.6,0,0,0,2.49E-15,-0.057777778,-0.39047619,0.007407407,0.6,0,0,0,-0.073251029,0.039451303,-0.407031158,0.002286237,0.514403292,0,0,0,1.066622541,1.292128641,1.444070588,0.504116527,0.001380277,0,0,0,1.25,1.133333333,1.314285714,0.740740741,0,0,0,0,1.25,1.133333333,1.314285714,0.740740741,0,0,0,0,1.25,1.133333333,1.314285714,0.740740741,0,0,0,0,1.25,1.133333333,1.314285714,0.740740741,0,0,0,0,1.25,1.133333333,1.314285714,0.740740741,0,0,0,0,1.333333333,0.915226337,1.475837743,0.724279835,0,0,0,0,16.07350083,8.036750417,11.87553838,16.07350083,2.678916806,8.03768869,-5.33E-15,0.014311245,0.002385207,-2.548025817,21.47271448,3.578785747,1.840069821,16.07350083,8.036750417,11.87553838,16.07350083,2.678916806,8.03768869,-5.33E-15,0.014311245,0.002385207,-2.548025817,21.47271448,3.578785747,1.840069821,16.07350083,8.036750417,11.87553838,16.07350083,2.678916806,8.03768869,-5.33E-15,0.014311245,0.002385207,-2.548025817,21.47271448,3.578785747,1.840069821,16.07350083,8.036750417,11.87553838,16.07350083,2.678916806,8.03768869,-5.33E-15,0.014311245,0.002385207,-2.548025817,21.47271448,3.578785747,1.840069821,16.07350083,8.036750417,11.87553838,16.07350083,2.678916806,8.03768869,-5.33E-15,0.014311245,0.002385207,-2.548025817,21.47271448,3.578785747,1.840069821,16.07350083,8.036750417,11.87553838,16.07350083,2.678916806,8.03768869,-5.33E-15,0.014311245,0.002385207,-2.548025817,21.47271448,3.578785747,1.840069821,17.15886309,8.529431546,12.70051937,17.09219643,2.848699404,8.530023638,-0.1,0.142485381,0.023747563,-1.169109526,21.01766797,3.502944662,1.82721805,0,11.9,12.1000824,-0.139077747,0.061495464,5.839745305,7.492007203,6,16,15,15,5,1,1,0,0,1,10.93207,3.678137484,2.747103276,2.355813088,1.975963684,1.150869371,0.343083398,0.083923071,0.083923071,1.754520439,1.687517145,1.188384144,0.645277741,0.555655479,0.083923071,0.083923071,0.083923071,3.696932743,2.791500679,2.405207026,2.043503576,1.268172845,0.471247769,0.270913902,0.270913902,1.702396596,1.619861007,1.080219324,0.505502562,0.41401564,0.270913902,0.270913902,0.270913902,3.781815199,2.989913008,2.625219407,2.326004333,1.732417956,0.958552952,0.943918427,0.943918427,1.5621384,1.417595025,0.730798023,0.051001877,0.067202604,0.943918427,0.943918427,0.943918427,3.710895962,2.824454472,2.44183568,2.092543643,1.35183446,0.561642133,0.399277246,0.399277246,1.670393235,1.576439685,1.00866449,0.41269785,0.318624864,0.399277246,0.399277246,0.399277246,3.824544477,3.086859989,2.732257719,2.454405997,1.929708226,1.207644823,1.207644823,1.207644823,1.522230422,1.353855165,0.611658759,0.104051087,0.240894356,1.15324661,1.207644823,1.207644823,3.733539337,2.903808337,2.486849224,2.181706543,1.461610347,0.695456946,0.590163934,0.590163934,1.615708018,1.560802866,0.865063101,0.285077235,0.18549984,0.590163934,0.590163934,0.590163934,0,0,0,1,1,1,3,0,0,0,0,0.144337567,0.144337567,0,0,0,0.102062073,0.102062073,0,0.288675135,0,0,0,0.204124145,0,0,0,0.40824829,0.433012702,0,0.288675135,0.306186218,0,4.405777394,2.89384685,2.389628766,1.64384685,1.129936127,0.288675135,0,0,0.734296232,0.482307808,0.341375538,0.234835264,0.161419447,0.144337567,0,0,4.198670613,2.550476816,1.942705341,1.268037688,0.831424626,0.204124145,0,0,0.699778435,0.425079469,0.277529334,0.181148241,0.118774947,0.102062073,0,0,8.709139019,15.43918427,14.62745098,14.8,9.992772455,121.8839701,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,2.04279,27.338,18.09925825,25.29161865,36.19851651,6.033086084,18.09925827,0.064833572,0.010805595,-1.641559038,30.97618464,5.16269744,2.059931203,29,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,3,0,1,0,0,0,0,0,0,0,0,1,0,3,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.898148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.836111111,0.870833333,0,0.304166667,0,0,0,0,0,0,0,0,2.201388889,0,4.06712963,0,2.319444444,0,0,0,0,1.578703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.578703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.255555556,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.201388889,0,1.325231481,0,2.319444444,0,0,0,0,1.578703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.319444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.290277778,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.201388889,0,1.394675926,0,2.319444444,0,0,0,0,1.578703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.16666667,1.694444444,0.304166667,2.319444444,0.069444444,1.325231481,3.338203704,0.174768519,0.319444444,1.041666667,0.174768519,0.319444444,1.041666667,3,0.5,0,0,0.45,0.7,0.43333,0.43333,0.7,0.01667,0.01667,0,0,0.71429,0,0,0.16667,0.16667,0,4,0.66667,3,0.5,1,0.16667,-2,-0.33333,0,0,4.33534,0.72256,5.2306,0.89526,0.14921,2.3406,0.3901,2.89384,0.55324,0.09221,0.02016,0.00336,0.10616,0.01769,0.3125,6,0,0,0,0,0,0,0.666666667,0.954434003,2.091917187,3.077819531,3.327819531,3.202819531,3.327819531,15.27094405,33.47067499,49.2451125,53.2451125,51.2451125,53.2451125,0.238608501,0.522979297,0.769454883,0.831954883,0.800704883,0.831954883,3.045565997,1.908082813,0.922180469,0.672180469,0.797180469,0.672180469,0.233502796,0.511788674,0.752990217,0.814152852,0.783571535,0.814152852,6.794779896,17.22252709,19.59016602,19.84212228,18.34212228,19.84212228,23.34095565,14.95225468,13.35845859,12.85845859,14.35845859,12.85845859,4.166666667,1.632653061,0.979591837,0,2,0,2.12,0.8024,0,1.632993162,1,0,4.242640687,2.828427125,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.076,0.353,0.392,3.041,7,7,7,2,0,0,0,0,0,35,2.079441542,2.397895273,2.48490665,2.564949357,1.386294361,0,0,0,0,0,3.912023005,1.4,0.333333333,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,0,2,3,0.5,1,0.444444444,0.222222222,0,0,0,0,0,0,0,0.166666667,0.063492063,0.111111111,0,0,0,0,0,0,0,0.341269841,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,0,97.33944905,3.584962501,3.295836866,4.007333185,4.762173935,5.493061443,6.251903883,6.989335266,7.747164967,8.487764381,9.243871855,68.27844578,2.564949357,0,3.713572067,2.397895273,5.017279837,4.442651256,6.385194399,6.224558429,7.788626066,8.245646901,82.07825032,5.129890645,11.57549817,1.929249695,0,0,0,26,2,2.391,26,1.295717689,2.289582472,3.190700003,3.966973218,5.076861149,0,0,0,0,0,95.09295523,103.1201837,59.40088957,22.69898255,5.158415846,0,0,0,0,0,334.1946406,417.814637,364.9886981,264.1119324,157.8078545,0,0,0,0,0,9.476528449,16.40506449,22.46407952,27.32384174,34.10870886,0,0,0,0,0,2.449464279,3.312749328,3.36215228,2.889705124,2.257237983,0,0,0,0,0,182.5844923,346.353569,509.861496,680.0462197,938.8012433,0,0,0,0,0,2.815573595,4.221018964,5.195342397,5.152475038,5.076861149,0,0,0,0,0,0.504744013,0.693191781,0.721440427,0.637824793,0.519870582,0,0,0,0,0,290.6615922,92.1991131,8.954808848,174.0682858,-55.21521248,-7.559710382,116.5933064,147.4143256,16.51451923,0.625442017,0.198392911,0.019268847,0.374557983,-0.118811411,-0.016266891,135.0791263,42.84768259,4.161567224,80.89473324,-25.66015896,-3.513223284,0.180180067,0.268011928,3.985952137,3.540017761,464.729878,0,1,0,357.9912854,18.92065764,7.100530843,455.0739585,21.33246255,7.691788393,529.7668003,23.01666354,8.091485237,1.369174524,1.17802809,248.8399156,180.318201,81.90868291,1.380004427,3.038016322,2.201454041,3.437326443,3.479064736,5.62183571,0.615904313,2.870679673,2.71586654,6.151082813,8.648896109,4.224785942,9.471957244,4.32281053,3.865527016,2.860035925,1.694293765,6.46E-07,3.23E-34,3.26E-83,6.35E-154,2.39E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.240930735,2.715679326,1.703134986,2.300154101,0.303045613,0.58168188,0.130252105,0.12819085,0.14477582,0.01193305,4.55E-09,2.27E-36,2.29E-85,4.47E-156,1.68E-248,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.777718558,2.715692206,2.574479676,3.158550606,0.97159408,2.017735232,0.553699042,0.541046817,0.530115075,0.124351576,4.74E-08,2.37E-35,2.39E-84,4.66E-155,1.75E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.709688327,2.715846117,5.865843155,8.10545162,3.938015904,8.793750178,3.913196256,3.512906607,2.634057283,1.509585242,5.75E-07,2.88E-34,2.90E-83,5.66E-154,2.13E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.14620657,2.71570857,3.183490747,3.877720776,1.469713995,3.115967303,0.972753859,0.928385903,0.844789256,0.270108241,1.03E-07,5.15E-35,5.19E-84,1.01E-154,3.80E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.466758163,2.715952336,7.221888686,10.83676644,5.339572387,12.1351438,6.01308975,5.311713805,3.764577444,2.470968224,9.42E-07,4.71E-34,4.75E-83,9.26E-154,3.48E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.708267584,2.816418708,3.991112953,5.397314519,2.397776709,4.866971678,1.712579211,1.610889611,1.505814819,0.590111454,2.25E-07,1.12E-34,1.13E-83,2.21E-154,8.31E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.120503119,1.545098728,0.41449155,0.614260974,0.304147701,0.576141885,0.597877651,0.498383376,5.080093396,6.755337939,13.83389629,0.421391461,1.672402911,2.118729875,0.917825073,0.081497026,0.679504348,0.294358491,0.264964669,0.210367845,0.019268803,3.118051975,2.192093601,5.4686266,0.519256523,0.494601317,2.494374334,1.153075626,0.206370696,0.647247124,0.29920324,0.367631437,0.33245961,0.123552271,3.853820656,3.628929034,8.076313549,0.470870685,0.823643317,3.093334055,1.528089908,0.405461142,0.615358018,0.303983456,0.566124003,0.584754149,0.476904619,5.026885105,6.600700388,13.54415674,0.423037027,1.627782771,2.670874124,1.263593534,0.265040169,0.635996939,0.300890863,0.421677827,0.39944448,0.203784502,4.199507827,4.417691246,9.511682946,0.453995409,1.024906809,3.206422234,1.598886268,0.443049002,0.610938228,0.304645076,0.608401671,0.640338461,0.569420414,5.248357504,7.255691614,14.77543042,0.416407342,1.818160547,3.097466431,1.528620035,0.406267636,0.615510429,0.303758441,0.56764435,0.585167561,0.478802302,5.032354102,6.614278458,13.57024857,0.423265643,1.631614214 +UMLRON0160,L,1-methyl-cyclopentene,CC1=CCCC1,12746,,"Sandia, UML",[1],C6H10,UML,,93.6,0,0.0486,0.00236196,30.5884,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1323.6122,1631.364849,1408.538047,761.887227,299.795497,58.588992,4.064256,0,3823.307636,4994.447843,7096.043224,7236.379542,4947.14347,2369.462059,769.7839098,124.3349777,0,154.382624,159.970976,300.351492,427.954876,375.242412,233.640676,95.655168,26.873856,0,28.53578067,37.90082034,57.8334738,64.26827042,47.76524328,24.81937132,8.900306288,1.778451619,0,3603.201977,3158.070517,6384.963905,9887.465468,9016.305714,5879.330725,2461.666711,739.6706081,0,40.02777778,46,71.66666667,93.5,83.16666667,50,19,4,0,53.10626655,60.16419091,38.84202021,23.09078766,14.10902272,8.817514618,4.184928,1.016064,0,173.7867107,227.0203565,168.9534101,118.6291728,91.61376796,69.69006057,54.98456499,31.08374443,0,7.017392,7.271408,7.151226,7.015653705,6.948933556,6.871784588,6.832512,6.718464,0,1.297080939,1.722764561,1.376987471,1.053578204,0.884541542,0.729981509,0.635736163,0.444612905,0,163.781908,143.5486599,152.0229501,162.0895978,166.9686243,172.9214919,175.8333365,184.917652,0,1.819444444,2.090909091,1.706349206,1.532786885,1.540123457,1.470588235,1.357142857,1,0,0.048698283,-0.006452617,-0.017748253,-1.77E-04,-0.009693425,8.36E-04,0.003242707,0.005643546,0,616.3360458,5.47E-13,-219.1194708,-157.085648,-137.0747375,93.05073419,48.02618539,64.03491385,0,1146.103196,1.28E-13,-407.4620128,-292.1074703,-254.8963276,173.0318136,89.30674252,119.0756567,0,0.120736,1.75E-15,-0.042924,-0.030772,-0.026852,0.018228,0.009408,0.012544,0,5.123614541,1.08E-14,-1.82154478,-1.305856303,-1.139505182,0.773532715,0.399242692,0.532323589,0,27.8315555,-2.93E-14,-9.894660155,-7.093432166,-6.189810234,4.201841984,2.168692637,2.891590182,0,4.814393939,-0.178030303,-1.117883379,0.310089532,-0.774219467,-0.586891644,-0.341483012,0.281221304,0,0.002213558,-2.93E-04,-4.23E-04,-2.91E-06,-1.80E-04,2.46E-05,2.32E-04,0.001410887,0,28.01527481,2.49E-14,-5.217130258,-2.575174558,-2.538421064,2.7367863,3.430441813,16.00872846,0,52.0955998,5.81E-15,-9.701476494,-4.788647055,-4.720302363,5.089170989,6.379053037,29.76891417,0,0.005488,7.96E-17,-0.001022,-5.04E-04,-4.97E-04,5.36E-04,6.72E-04,0.003136,0,0.23289157,4.92E-16,-0.043370114,-0.02140748,-0.021101948,0.022750962,0.028517335,0.133080897,0,1.265070705,-1.33E-15,-0.235587147,-0.116285773,-0.114626115,0.123583588,0.154906617,0.722897546,0,0.218836088,-0.008092287,-0.026616271,0.005083435,-0.014337398,-0.017261519,-0.024391644,0.070305326,0,-0.132501937,-0.190904143,-0.001313798,-0.081094713,0.011111988,0.104637817,0.637383939,0,8.88E-16,-0.18622449,-0.091920375,-0.090608466,0.097689076,0.12244898,0.571428571,0,1.12E-16,-0.18622449,-0.091920375,-0.090608466,0.097689076,0.12244898,0.571428571,0,1.45E-14,-0.18622449,-0.091920375,-0.090608466,0.097689076,0.12244898,0.571428571,0,2.11E-15,-0.18622449,-0.091920375,-0.090608466,0.097689076,0.12244898,0.571428571,0,-1.05E-15,-0.18622449,-0.091920375,-0.090608466,0.097689076,0.12244898,0.571428571,0,-0.036978757,-0.121626516,0.023229418,-0.065516605,-0.078878758,-0.111460792,0.321269342,0,1.350294965,1.121723238,0.827721715,1.012454967,1.022191788,0.975021324,0.153180664,0,1.3125,1.325892857,1.048155738,0.954861111,0.667279412,0.589285714,0,0,1.3125,1.325892857,1.048155738,0.954861111,0.667279412,0.589285714,0,0,1.3125,1.325892857,1.048155738,0.954861111,0.667279412,0.589285714,0,0,1.3125,1.325892857,1.048155738,0.954861111,0.667279412,0.589285714,0,0,1.3125,1.325892857,1.048155738,0.954861111,0.667279412,0.589285714,0,0,1.299763965,0.799108314,0.668390708,1.160037299,1.379136391,1.324154209,0,0,30.77271836,15.38635918,23.18205497,30.77271836,3.846589795,15.38636004,0,0.011337013,0.001417127,-3.583745955,79.30716705,9.913395881,3.498662803,30.77271836,15.38635918,23.18205497,30.77271836,3.846589795,15.38636004,0,0.011337013,0.001417127,-3.583745955,79.30716705,9.913395881,3.498662803,30.77271836,15.38635918,23.18205497,30.77271836,3.846589795,15.38636004,0,0.011337013,0.001417127,-3.583745955,79.30716705,9.913395881,3.498662803,30.77271836,15.38635918,23.18205497,30.77271836,3.846589795,15.38636004,0,0.011337013,0.001417127,-3.583745955,79.30716705,9.913395881,3.498662803,30.77271836,15.38635918,23.18205497,30.77271836,3.846589795,15.38636004,0,0.011337013,0.001417127,-3.583745955,79.30716705,9.913395881,3.498662803,30.77271836,15.38635918,23.18205497,30.77271836,3.846589795,15.38636004,0,0.011337013,0.001417127,-3.583745955,79.30716705,9.913395881,3.498662803,40.16877105,19.78971423,30.02302671,40.04333702,5.005417128,19.78971424,-0.501736111,0.082845829,0.010355729,-1.992619102,66.25459189,8.281823986,3.354803819,0,11.9,12.10012615,-0.149691392,0.050510948,5.5151836,8.608754956,8,22,21,21,7,1,1,0,0,1,15.304898,3.649504605,3.138911379,2.750129472,2.525565447,1.456797487,1.437166735,1.118098661,0.770991813,1.993955263,1.58267502,1.372874417,1.192707619,0.666206401,0.608478529,0.481029915,0.277853871,3.672277353,3.168205153,2.792995694,2.570349785,1.556142907,1.529415999,1.23762927,0.908050179,1.942528308,1.516954162,1.285229005,1.097824067,0.522081792,0.465030983,0.326575764,0.111531043,3.773084499,3.298439671,2.981537655,2.770289371,1.9628467,1.916270907,1.710174075,1.438581302,1.793355048,1.324666716,1.018928274,0.810370363,0.037619229,0.011283346,0.205491378,0.468288139,3.689087519,3.189870864,2.824624264,2.603577638,1.62787375,1.596630104,1.322861683,1.004998235,1.909972429,1.475165793,1.228596505,1.036528425,0.425347018,0.369128299,0.222046176,0.001478551,3.822628198,3.362525497,3.072480534,2.867944811,2.141548494,2.089958336,1.910626018,1.659319804,1.747430174,1.265248755,0.933903671,0.71939954,0.135164289,0.178136658,0.401464135,0.685343949,3.727918209,3.380219424,2.77707341,2.654818341,1.715014625,1.681083795,1.451096326,1.136168262,1.957065254,1.354081591,1.235300662,0.859920373,0.331290277,0.25142262,0.069750874,0.161945283,0,0,1,1,0,0,5,1,0,0,0,0,0.102062073,0.072168784,0,0,0,0.102062073,0.058925565,0.204124145,0,0,0,0.166666667,0,0,0,0.49279928,0.594861352,0.49279928,0.353553391,0.416666667,0.353553391,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,5.397341225,3.558078205,2.633792357,1.983163248,1.369869053,0.945705769,0.23570226,0.083333333,0.674667653,0.444759776,0.292643595,0.198316325,0.136986905,0.094570577,0.058925565,0.041666667,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.67889,36.502,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,6,1,0,2,0,0,0,0,0,0,0,0,0,1,5,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.89462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.364027778,0.290694444,0,0,1.445277778,0.290277778,0,0.654722222,0,0,0,0,0,0,0,0,0,3.784351852,7.088009259,0,2.110277778,0,0.850694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.110277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.364027778,0.290694444,0,0,0.216944444,0.290277778,0,0.290694444,0,0,0,0,0,0,0,0,0,3.784351852,1.392361111,0,2.110277778,0,0.850694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.784351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.364027778,0.290694444,0,0,0.290277778,0.290277778,0,0.364027778,0,0,0,0,0,0,0,0,0,3.784351852,1.44875,0,2.110277778,0,0.850694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.83333333,1.729166667,0.364027778,3.784351852,0.216944444,0.850694444,5.572267269,0.482638889,0.784351852,1.789259259,0.482638889,0.784351852,1.789259259,4,0.5,0,0,0.44545,0.7,0.43333,0.43333,0.7,0.01212,0.01212,0,0,0.71429,0,0,0.125,0.125,0,5,0.625,4,0.5,1,0.125,-3,-0.375,0,0,6.67375,0.83422,8.02289,1.34915,0.16864,3.39384,0.42423,3.93185,0.53801,0.06725,-0.01785,-0.00223,0.06815,0.00852,0.272727273,8,0,0,0,0,0,0,0.75,0.945660305,1.985873629,2.551514871,3.027169118,3.277613437,3.095795255,20.8045267,43.68921983,56.13332716,66.59772061,72.10749561,68.10749561,0.212058483,0.445319897,0.572161452,0.67882398,0.734984571,0.694212967,3.513771314,2.47355799,1.907916748,1.4322625,1.181818182,1.363636364,0.209052139,0.439006616,0.564049945,0.669200322,0.724564728,0.684371141,6.786633838,14.02575958,17.02147672,17.87802823,18.13043228,15.9486141,31.28312609,24.89843272,20.68292738,19.64457454,18.99492654,22.17914098,6.125,3.111111111,1.8,2,2,2,2.34,1.0842,0,2.00414513,0.5,0,7.732315986,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.112,0.12,0.278,0.36,3.787,9,10,10,10,4,2,0,0,0,61,2.302585093,2.397895273,2.564949357,2.564949357,2.564949357,1.945910149,1.609437912,0,0,0,4.304065093,1.196721311,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,1,0.125,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,0,131.9314183,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,110.1095504,5.004979566,15.69266546,1.961583183,0,0,0,64,7,4.121,34,1.222999411,2.108867404,2.823243395,3.58712192,4.146350337,4.897605343,5.709273287,0,0,0,83.04796982,90.18311566,69.36406128,53.49537153,39.67305465,21.3806511,5.800987053,0,0,0,299.7655435,377.9041026,351.3345625,335.1446976,302.5244704,275.964138,177.4655917,0,0,0,8.923221417,15.12181359,19.86223274,24.93448625,28.54242159,33.49478151,38.35754704,0,0,0,2.226955806,3.029592631,3.088398637,3.207469351,3.123797044,3.166933087,2.538416581,0,0,0,173.6738804,317.7802597,453.371802,598.4773323,713.1486216,858.6265823,1055.745411,0,0,0,2.613398614,3.683138227,4.42551541,5.539380468,6.243879933,6.781923295,5.709273287,0,0,0,0.460046942,0.634958959,0.658529388,0.694133913,0.684924049,0.705034444,0.584629585,0,0,0,321.6324598,149.6083732,10.96247735,104.7869067,-48.74196668,-6.957219082,216.8455531,198.3503399,17.91969643,0.754263256,0.35084798,0.025708207,0.245736744,-0.114305237,-0.016315439,137.1503097,63.79590771,4.674612646,44.68316635,-20.78451855,-2.966692953,0.122340521,0.220072595,2.801147706,5.052320021,426.4193664,0,1,0,579.3719988,24.07014746,8.336539916,715.6274408,26.75121382,8.944628929,956.7378719,30.93117961,9.853661868,1.402168661,1.266911393,359.9385233,289.7661149,133.2747732,1.242169131,2.700725086,2.174200773,3.704344628,3.779648656,6.509250006,0.722183885,4.150214403,5.254991662,9.067767084,11.9763545,14.74265608,9.897885689,10.849988,4.819818876,7.835644577,1.094519878,0.410357972,0.998834007,3.47E-11,2.35E-43,3.06E-97,7.68E-173,3.72E-270,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348877367,4.746992094,0.625238236,3.966773008,0.812189054,1.390087807,1.660430094,0.360050929,0.311888575,0.081744656,0.002897122,0.00703487,2.45E-13,1.65E-45,2.15E-99,5.41E-175,2.62E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,1.124811294,4.780938323,2.05183068,4.694044424,2.877892722,2.706784739,2.588408825,0.937003005,1.234604863,0.270544018,0.030135776,0.073308765,2.55E-12,1.72E-44,2.24E-98,5.64E-174,2.73E-271,0,0,0,0,0,0,0,0,0,0,0,0,0,3.917499273,5.199218004,8.445956168,11.16491542,13.61468241,9.228488493,9.9521075,4.428855697,7.158171422,1.026175587,0.365626342,0.889943118,3.09E-11,2.09E-43,2.72E-97,6.84E-173,3.32E-270,0,0,0,0,0,0,0,0,0,0,0,0,0,1.657465611,4.824950765,3.119240322,5.462794987,4.526878938,3.735340626,3.506860339,1.432050428,2.050045739,0.405472546,0.065441862,0.159236433,5.54E-12,3.74E-44,4.87E-98,1.22E-173,5.93E-271,0,0,0,0,0,0,0,0,0,0,0,0,0,5.011853788,5.489512219,11.4892333,15.34533114,19.23145888,12.54503629,14.55514598,6.401290864,10.59026711,1.35476993,0.598445909,1.456705527,5.06E-11,3.42E-43,4.46E-97,1.12E-172,5.43E-270,0,0,0,0,0,0,0,0,0,0,0,0,0,2.488692656,3.888573457,4.554699855,6.661695105,6.942355409,4.927295579,5.700891867,2.603423791,3.767113365,0.998934311,0.137257761,0.334056257,1.16E-11,7.85E-44,1.02E-97,2.57E-173,1.25E-270,0,0,0,0,0,0,0,0,0,0,0,0,0,2.915420834,1.555996251,0.719635407,0.561624225,0.299745813,0.438348351,0.558379697,0.418197255,5.191052492,7.754173941,16.2097689,0.342436338,1.414925303,2.349634333,0.924831024,0.287023872,0.659733663,0.259675367,0.2872444,0.195329847,0.067835051,3.561489229,3.112864451,7.298060781,0.489600494,0.550409298,2.564742914,1.164600152,0.452680099,0.613278027,0.27847769,0.340959825,0.31093662,0.168057538,4.182023165,4.675099375,10.20923272,0.41991704,0.819953984,2.900405248,1.539231217,0.708271892,0.563414313,0.299001286,0.433928067,0.54627995,0.405417948,5.147908357,7.608864018,15.91877737,0.345121469,1.385625964,2.664582781,1.275990433,0.529039438,0.59615519,0.285481211,0.367445239,0.373919676,0.228718077,4.469612652,5.484700774,11.75303806,0.394232785,0.970082992,2.962787227,1.608882556,0.755445983,0.556170986,0.302017569,0.452439111,0.597431822,0.459669532,5.327115765,8.220426256,17.14858432,0.334256479,1.509540465,2.927485455,1.536974707,0.708953909,0.565871089,0.29709099,0.4415546,0.544672361,0.405072596,5.173414071,7.664567584,16.02789928,0.348806634,1.391299557 +UMLRON0161,L,vinylcyclohexane,C=CC1CCCCC1,12757,,UML,[1],C8H14,PubChem,,64.3,0,-0.086,0.007396,34.709,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,1985.508851,1834.308513,1208.909357,605.601698,147.488544,12.192768,0,4371.159516,5876.91121,8672.178832,9469.851103,7575.105347,4667.158268,1955.543519,373.0049332,0,188.796996,195.98202,384.613004,548.203716,563.07506,434.0882,245.856384,80.621568,0,33.10313229,45.14389758,71.20205987,83.87350945,72.48554276,48.08460951,22.69537863,5.335354858,0,4469.666941,3897.355064,8328.753616,12565.07281,13511.29447,10802.27809,6339.08443,2219.011824,0,40.80555556,49.77777778,84.33333333,114.1666667,111.5,82.16666667,43,12,0,48.76541633,56.15943233,36.76868243,23.51677581,14.92480688,9.612725365,4.096904,1.016064,0,161.8947969,217.6633782,160.5959043,121.4083475,93.5198191,74.08187728,54.3206533,31.08374443,0,6.992481333,7.258593333,7.122463037,7.028252769,6.951543951,6.890288889,6.829344,6.718464,0,1.226041937,1.671996207,1.318556664,1.075301403,0.894883244,0.76324777,0.630427184,0.444612905,0,165.54322,144.3464838,154.2361781,161.0906771,166.8061046,171.4647315,176.0856786,184.917652,0,1.511316872,1.843621399,1.561728395,1.463675214,1.37654321,1.304232804,1.194444444,1,0,0.036407824,-0.003076168,-0.007014982,-0.010613783,-0.007278173,1.14E-04,0.002327761,0.007337676,0,726.396054,7.32E-13,-121.066009,-282.4873543,-201.7766817,-8.42E-13,80.71067267,161.4213453,0,1350.764481,-5.26E-13,-225.1274134,-525.297298,-375.2123557,7.11E-15,150.0849423,300.1698846,0,0.142296,2.04E-15,-0.023716,-0.055337333,-0.039526667,-1.68E-15,0.015810667,0.031621333,0,6.038545709,1.65E-14,-1.006424285,-2.348323331,-1.677373808,-1.42E-14,0.670949523,1.341899046,0,32.80147613,-2.00E-13,-5.466912688,-12.75612961,-9.111521147,1.84E-13,3.644608459,7.289216918,0,2.483539095,-0.854938272,0.144032922,-0.490512117,-0.28909465,-0.169410151,-0.021262003,0.439414723,0,0.001348438,-1.14E-04,-1.30E-04,-1.36E-04,-8.99E-05,1.81E-06,6.47E-05,6.11E-04,0,26.90355756,2.71E-14,-2.24196313,-3.621632748,-2.491070144,-1.34E-14,2.24196313,13.45177878,0,50.0283141,-1.95E-14,-4.169026175,-6.734580744,-4.632251305,1.13E-16,4.169026175,25.01415705,0,0.005270222,7.55E-17,-4.39E-04,-7.09E-04,-4.88E-04,-2.67E-17,4.39E-04,0.002635111,0,0.223649841,6.11E-16,-0.018637487,-0.030106709,-0.020708319,-2.26E-16,0.018637487,0.111824921,0,1.214869486,-7.40E-15,-0.101239124,-0.163540123,-0.112487915,2.92E-15,0.101239124,0.607434743,0,0.091982929,-0.03166438,0.002667276,-0.006288617,-0.00356907,-0.00268905,-5.91E-04,0.036617894,0,-0.084491955,-0.096338935,-0.100912429,-0.066635609,0.001339084,0.047951803,0.453467656,0,1.01E-15,-0.083333333,-0.134615385,-0.092592593,-4.97E-16,0.083333333,0.5,0,-3.89E-16,-0.083333333,-0.134615385,-0.092592593,2.25E-18,0.083333333,0.5,0,1.43E-14,-0.083333333,-0.134615385,-0.092592593,-5.06E-15,0.083333333,0.5,0,2.73E-15,-0.083333333,-0.134615385,-0.092592593,-1.01E-15,0.083333333,0.5,0,-6.09E-15,-0.083333333,-0.134615385,-0.092592593,2.40E-15,0.083333333,0.5,0,-0.344241922,0.028997514,-0.068367217,-0.038801436,-0.029234229,-0.006420878,0.398094449,0,1.530079947,1.211094284,1.118285243,0.989705134,0.843745748,0.658209306,0.003739006,0,1.444444444,1.283950617,1.166666667,0.989711934,0.791005291,0.601851852,0,0,1.444444444,1.283950617,1.166666667,0.989711934,0.791005291,0.601851852,0,0,1.444444444,1.283950617,1.166666667,0.989711934,0.791005291,0.601851852,0,0,1.444444444,1.283950617,1.166666667,0.989711934,0.791005291,0.601851852,0,0,1.444444444,1.283950617,1.166666667,0.989711934,0.791005291,0.601851852,0,0,1.874067937,0.856255178,1.0495029,0.998066832,0.994733105,0.799710025,0,0,40.14219446,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,1.78E-14,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,40.14219446,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,1.78E-14,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,40.14219446,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,1.78E-14,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,40.14219446,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,1.78E-14,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,40.14219446,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,1.78E-14,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,40.14219446,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,1.78E-14,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,47.10182096,23.36777262,35.37777518,47.00065498,5.222294998,23.36777262,-0.182098765,0.035273929,0.003919325,-3.01015003,47.79540835,5.310600928,3.480236618,0,11.9,12.1001487,-0.151156961,0.04901184,6.1114375,9.068755296,9,27,27,27,9,0,0,0,0,0,19.677726,3.664750317,3.219157313,2.750129472,2.592338226,2.333552793,1.499631818,1.456797487,1.151713741,2.013537918,1.716752167,1.372874417,1.258063942,1.249629723,0.666206401,0.635930541,0.505325169,3.687986481,3.252710913,2.792995694,2.638583645,2.405454588,1.589768807,1.556142907,1.269866432,1.96177185,1.644684894,1.285229005,1.165486243,1.134540686,0.522081792,0.49658748,0.351430425,3.790509853,3.400847878,2.981537655,2.841612656,2.704236987,1.965208078,1.9628467,1.738170588,1.811063426,1.43044514,1.018928274,0.881733676,0.76031856,0.037619229,0.035307892,0.178057588,3.705120264,3.277477673,2.824624264,2.672698925,2.457539916,1.655239663,1.62787375,1.354189917,1.928955643,1.598552216,1.228596505,1.105452968,1.058262671,0.425347018,0.403570735,0.247308696,3.840711395,3.473015731,3.072480534,2.939085759,2.838982085,2.141548494,2.133257619,1.937367216,1.764468612,1.363272377,0.933903671,0.790417671,0.631337262,0.126189495,0.135164289,0.372637902,3.698128699,3.36340787,2.854261372,2.724027945,2.713878329,1.758082461,1.74890333,1.498840181,1.920425873,1.499078803,1.160668036,1.011278079,0.807995976,0.266026078,0.257784547,0.072150721,0,0,0,0,0,2,5,2,0,0,0,0,0.102062073,0.058925565,0,0,0,0.102062073,0.058925565,0.5,0,0.166666667,0,0.5,0,0.166666667,0,1.040440115,1.054737854,1.040440115,1.040440115,1.054737854,1.040440115,6.690234444,4.304530453,3.642107032,2.592638956,1.800833459,1.250443623,0.451184464,0.23570226,0.743359383,0.478281161,0.331100639,0.216053246,0.150069455,0.104203635,0.075197411,0.058925565,6.690234444,4.304530453,3.642107032,2.592638956,1.800833459,1.250443623,0.451184464,0.23570226,0.743359383,0.478281161,0.331100639,0.216053246,0.150069455,0.104203635,0.075197411,0.058925565,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.2227,41.413,36.08872406,51.75280153,72.17744812,8.019716458,36.08872406,0.19041988,0.021157764,-1.492671377,35.89962077,3.988846752,3.222654059,69,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,4.714259259,0,7.462546296,0,0,0,1.989861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.35712963,0,1.488935185,0,0,0,0.935462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.35712963,0,1.497685185,0,0,0,1.054398148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.16666667,1.574074074,0.2,2.35712963,0.2,0.935462963,6.479198287,0.39787037,0.35712963,1.428518519,0.39787037,0.35712963,1.428518519,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.22222,0.22222,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,9.97476,1.10831,9.97476,0,0,4.30452,0.47828,4.30452,0,0,0.10948,0.01216,0.19548,0.02172,0.222222222,9,0,0,0,0,0,0,1,0.918295834,1.396802669,2.551778485,2.865274539,2.661208798,2.550821761,24.79398752,37.71367206,68.8980191,77.36241255,71.85263755,68.87218755,0.193126721,0.293761455,0.536664324,0.602595653,0.559678604,0.536463115,3.836591668,3.358084833,2.203109017,1.889612963,2.093678704,2.204065741,0.193126721,0.293761455,0.536664324,0.602595653,0.559678604,0.536463115,6.73287657,12.47495859,16.42966265,15.42446943,15.21880687,12.86442972,35.54887502,27.21134672,23.88525893,25.29835928,25.72319909,29.73478428,7.111111111,3.239669421,2,3,0,3,2.45,1.2681,0.5,2.68246152,2.828427125,0,6.083643419,4.745102806,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,4.165,11,12,12,12,6,4,0,0,0,75,2.302585093,2.48490665,2.564949357,2.564949357,2.564949357,1.945910149,1.609437912,0,0,0,4.33073334,1,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,3,0.333333333,0,3,5,0.666666667,1.5,0.888888889,0.4375,0.191111111,0.125,0,0,0,0,0,0.166666667,0.080808081,0.048611111,0.038222222,0.0625,0,0,0,0,0,0.396808081,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,0,151.8638616,4.169925001,3.713572067,4.465908119,5.252273428,6.02827852,6.816735881,7.598399329,8.386400901,9.169830829,9.957265258,79.38866433,2.944438979,0,4.143134726,0,5.556828062,0,7.055312843,0,8.590257762,8.836955157,126.1408506,4.671883355,17.52861439,1.947623821,0,0,0,88,9,4.999,40,1.22699952,2.102062456,2.83197678,3.514067012,4.097457258,5.004203446,5.748921289,0,0,0,78.95148878,86.18511041,71.40133381,58.14924337,44.52003758,21.27286722,5.84127196,0,0,0,290.5400635,361.6396057,360.820155,343.7404246,326.6522086,277.6477373,178.6980001,0,0,0,8.938429587,15.02094699,19.95558373,24.45766187,28.31908648,34.20317975,38.62392072,0,0,0,2.17886504,2.914409346,3.158941835,3.233274784,3.294128701,3.20129471,2.556044594,0,0,0,175.1121323,320.7644033,452.2897494,584.1187481,695.8524241,878.95794,1063.077026,0,0,0,2.308999694,3.372944974,4.226930937,4.890072701,5.50374382,6.037864861,5.748921289,0,0,0,0.45089223,0.611642914,0.672940116,0.697845438,0.71906359,0.71326913,0.58868954,0,0,0,349.3292642,162.0024082,8.930833424,86.95552129,-40.32586245,-4.687805996,262.3737429,202.3282707,13.61863942,0.800690915,0.371322617,0.020470192,0.199309085,-0.092430137,-0.01074483,152.4070431,70.67918593,3.896386745,37.93737095,-17.59356025,-2.045218433,0.064933444,0.134373977,0.68806471,0.988856004,436.2847855,0,1,0,620.8036052,24.91593075,8.530701456,795.1702547,28.19876335,9.264458536,1092.564988,33.05397084,10.29949094,1.680324685,1.680324685,473.969352,427.83029,168.1634146,1.107844309,2.818504566,2.544134174,4.019304462,3.779648656,6.970405536,0.844194043,5.80083534,6.962468225,9.05018823,16.89334382,17.44905721,17.48262381,11.97472315,8.807939841,9.765871124,6.143337884,5.800147904,0.026069729,0.934935504,6.60E-13,9.16E-47,2.45E-102,1.27E-179,1.26E-278,0,0,0,0,0,0,0,0,0,0,0,0,0.427425031,6.522667268,0.674944612,6.756573561,0.852607223,2.151959771,1.200971686,1.33688221,0.569634207,0.249677484,0.080147897,2.79E-04,0.006584827,4.65E-15,6.45E-49,1.73E-104,8.93E-182,8.90E-281,0,0,0,0,0,0,0,0,0,0,0,0,1.417912608,6.552056574,2.210121915,7.831349357,3.10255621,4.396824764,2.111361122,2.080625853,1.964245975,0.981060516,0.526659584,0.002158156,0.068618976,4.84E-14,6.72E-48,1.80E-103,9.31E-181,9.27E-280,0,0,0,0,0,0,0,0,0,0,0,0,5.434259433,6.914182263,8.475768952,15.92100811,16.03053961,16.2312023,10.85924018,8.07418367,9.032178751,5.615682067,5.19488566,0.023293263,0.833010702,5.88E-13,8.16E-47,2.19E-102,1.13E-179,1.13E-278,0,0,0,0,0,0,0,0,0,0,0,0,2.129425833,6.590160505,3.315752554,8.864393866,4.984894294,6.200465831,3.118975319,2.823154367,3.064878233,1.623171333,1.04727417,0.004453348,0.149049586,1.05E-13,1.46E-47,3.91E-103,2.02E-180,2.01E-279,0,0,0,0,0,0,0,0,0,0,0,0,7.200815129,7.165503974,11.24705188,20.89287363,23.15819203,22.47133663,16.6225193,11.83852124,12.67622683,8.286455687,8.330794762,0.037709482,1.363515566,9.62E-13,1.34E-46,3.58E-102,1.85E-179,1.84E-278,0,0,0,0,0,0,0,0,0,0,0,0,3.654735808,6.141831075,5.189517117,11.86997331,8.837137873,10.31606385,5.674928835,4.868606607,5.638815644,3.232310894,2.444678472,0.011021885,0.377338675,2.66E-13,3.70E-47,9.90E-103,5.12E-180,5.10E-279,0,0,0,0,0,0,0,0,0,0,0,0,3.615945384,1.396271638,1.007648627,0.600668785,0.231943987,0.51828912,0.54501318,0.433491251,6.019865648,10.09939558,21.20671992,0.401003177,1.496793551,2.9156181,0.851050302,0.483862966,0.685942026,0.200222096,0.3375202,0.199222992,0.099103408,4.250531368,4.303889009,9.755047779,0.52891304,0.6358466,3.19373212,1.067185225,0.692336168,0.644774614,0.215451364,0.404700849,0.315254621,0.203750414,4.953253513,6.358290918,13.67123638,0.46716192,0.923705884,3.598604036,1.382733555,0.994724325,0.602169805,0.23137872,0.513348424,0.534278494,0.422386214,5.976061916,9.930968226,20.85668941,0.403254707,1.470013131,3.317713532,1.163703327,0.785068838,0.629967254,0.220963921,0.436605425,0.375939617,0.262388317,5.266485697,7.379055001,15.67656138,0.444950881,1.074933358,3.670237491,1.438668042,1.048097904,0.596107754,0.233663674,0.533909895,0.579349263,0.469176334,6.157003436,10.63488656,22.3261125,0.394161631,1.582435491,3.609648988,1.384978044,0.999360847,0.602211593,0.231061202,0.516490711,0.536745809,0.426588194,5.993987878,9.990719292,20.98079645,0.403317389,1.479824714 +UMLRON0162,L,Isopropylcyclohexane,CC(C)C1CCCCC1,12763,,"Sandia, UML",[1],C9H18,PubChem,,62.8,0,0.6042,0.36505764,27.4928,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,935.269613,821.316052,390.555817,82.888848,6.096384,0,0,2914.106344,3494.423905,4316.776942,4309.23574,3100.852524,1257.525459,186.5024666,0,0,125.864664,123.114164,212.450036,259.455568,250.270948,183.394368,40.310784,0,0,22.06875486,27.30703172,36.43165651,38.53752256,31.06004837,15.34920546,2.667677429,0,0,2979.777961,2471.442353,4716.396308,6005.352959,5994.805195,4833.801083,1109.505912,0,0,37.02777778,40.66666667,53.66666667,66.16666667,64,35,6,0,0,48.76541633,50.97680359,31.17565377,22.19773114,10.84877269,3.069957333,1.016064,0,0,161.8947969,205.5543474,143.8925647,116.4658308,86.13479232,46.57501701,31.08374443,0,0,6.992481333,7.242009647,7.081667867,7.012312649,6.951970778,6.792384,6.718464,0,0,1.226041937,1.606295984,1.21438855,1.041554664,0.862779121,0.568489091,0.444612905,0,0,165.54322,145.3789619,157.2132103,162.3068367,166.5223665,179.0296697,184.917652,0,0,2.057098765,2.392156863,1.788888889,1.788288288,1.777777778,1.296296296,1,0,0,0.043858197,-0.010671129,-0.009854008,0.002461082,-0.019263152,0.008060485,0.007337624,0,0,484.264036,-53.80711511,-80.71067267,-107.6142302,-242.132018,161.4213453,80.71067267,0,0,900.5096538,-100.0566282,-150.0849423,-200.1132564,-450.2548269,300.1698846,150.0849423,0,0,0.094864,-0.010540444,-0.015810667,-0.021080889,-0.047432,0.031621333,0.015810667,0,0,4.025697139,-0.447299682,-0.670949523,-0.894599364,-2.01284857,1.341899046,0.670949523,0,0,21.86765075,-2.429738973,-3.644608459,-4.859477945,-10.93382538,7.289216918,3.644608459,0,0,5.470679012,-1.470764746,-0.5468107,1.05409808,-2.645061728,0.243055556,0.630144033,0,0,0.002436567,-6.28E-04,-3.28E-04,6.65E-05,-5.35E-04,2.99E-04,0.001222937,0,0,26.90355756,-3.165124418,-2.690355756,-2.908492709,-6.725889389,5.978568346,13.45177878,0,0,50.0283141,-5.885684011,-5.00283141,-5.408466389,-12.50707852,11.11740313,25.01415705,0,0,0.005270222,-6.20E-04,-5.27E-04,-5.70E-04,-0.001317556,0.00117116,0.002635111,0,0,0.223649841,-0.026311746,-0.022364984,-0.024178361,-0.05591246,0.049699965,0.111824921,0,0,1.214869486,-0.142925822,-0.121486949,-0.131337242,-0.303717372,0.269970997,0.607434743,0,0,0.303926612,-0.086515573,-0.018227023,0.028489137,-0.073473937,0.009002058,0.105024005,0,0,-0.257622144,-0.134807288,0.027298958,-0.219607207,0.122523426,0.501910106,0,0,-0.117647059,-0.1,-0.108108108,-0.25,0.222222222,0.5,0,0,-0.117647059,-0.1,-0.108108108,-0.25,0.222222222,0.5,0,0,-0.117647059,-0.1,-0.108108108,-0.25,0.222222222,0.5,0,0,-0.117647059,-0.1,-0.108108108,-0.25,0.222222222,0.5,0,0,-0.117647059,-0.1,-0.108108108,-0.25,0.222222222,0.5,0,0,-0.284659421,-0.059971791,0.093736896,-0.241748942,0.029619182,0.345557123,0,0,1.53095184,1.023289939,0.912751422,1.241211656,0.620740314,0.176618311,0,0,1.5,1.204166667,1.091216216,1.121527778,0.393518519,0,0,0,1.5,1.204166667,1.091216216,1.121527778,0.393518519,0,0,0,1.5,1.204166667,1.091216216,1.121527778,0.393518519,0,0,0,1.5,1.204166667,1.091216216,1.121527778,0.393518519,0,0,0,1.5,1.204166667,1.091216216,1.121527778,0.393518519,0,0,0,1.624823695,0.797009873,0.747707086,1.44583921,0.805641749,0,0,0,19.66433592,9.83216796,14.7814799,19.66433592,3.27738932,9.832308265,-7.11E-15,0.108897205,0.018149534,-1.330410549,30.9395939,5.156598984,2.059222032,19.66433592,9.83216796,14.7814799,19.66433592,3.27738932,9.832308265,-7.11E-15,0.108897205,0.018149534,-1.330410549,30.9395939,5.156598984,2.059222032,19.66433592,9.83216796,14.7814799,19.66433592,3.27738932,9.832308265,-7.11E-15,0.108897205,0.018149534,-1.330410549,30.9395939,5.156598984,2.059222032,19.66433592,9.83216796,14.7814799,19.66433592,3.27738932,9.832308265,-7.11E-15,0.108897205,0.018149534,-1.330410549,30.9395939,5.156598984,2.059222032,19.66433592,9.83216796,14.7814799,19.66433592,3.27738932,9.832308265,-7.11E-15,0.108897205,0.018149534,-1.330410549,30.9395939,5.156598984,2.059222032,19.66433592,9.83216796,14.7814799,19.66433592,3.27738932,9.832308265,-7.11E-15,0.108897205,0.018149534,-1.330410549,30.9395939,5.156598984,2.059222032,29.6708735,14.63057564,22.66993387,29.39772535,4.899620891,14.63057668,-0.409722222,0.163301409,0.027216902,-1.087294589,18.12863909,3.021439849,1.738495775,0,11.79,12.21003864,-0.305446688,0.114839642,5.285153436,7.810753398,5,17,16,16,4,1,1,0,0,1,13.118484,3.510570633,2.923746169,2.591993864,1.830190102,1.29672581,0.791796115,0.083923071,0.083923071,1.885714227,1.511756778,1.344763099,0.882680806,0.533106724,0.283462637,0.083923071,0.083923071,3.534745521,2.96384696,2.648249794,1.914269465,1.399394587,0.92617065,0.270913902,0.270913902,1.82870653,1.427851139,1.246490786,0.753351048,0.386909979,0.117884083,0.270913902,0.270913902,3.643014978,3.140516132,2.887539852,2.261918794,1.817235022,1.449608743,0.943918427,0.943918427,1.665010837,1.175663166,0.933429077,0.326660436,0.10631946,0.458121096,0.943918427,0.943918427,3.55266112,2.993441339,2.689321671,1.975123423,1.473367801,1.021472754,0.399277246,0.399277246,1.792745992,1.373896328,1.181813881,0.667148642,0.288666889,0.005452905,0.399277246,0.399277246,3.696893224,3.22609567,2.998283769,2.417134684,1.999773964,1.668440407,1.207644823,1.207644823,1.615279038,1.095806556,0.828338588,0.177483154,0.283129654,0.673024903,1.207644823,1.207644823,3.566591033,3.091050043,2.747720566,1.989051712,1.539447649,1.075255501,0.507042254,0.507042254,1.854087453,1.301672875,1.045272553,0.625732981,0.217553853,0.077456731,0.507042254,0.507042254,0,0,1,1,0,2,1,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.23570226,0,0,0,0.577350269,0.288675135,0,0.402368927,0.166666667,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.568914101,2.434286965,1.621234435,1.046319478,0.166666667,0,0,0,0.761485683,0.486857393,0.324246887,0.261579869,0.166666667,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,29,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,4,1,0,2,0,0,0,0,0,0,0,0,2,1,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.603657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0.316319444,0,0,1.002708333,0.290277778,0,0.697291667,0,0,0,0,0,0,0,0,4.318796296,3.631435185,1.211805556,0,1.972222222,0,0.699074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.972222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0.316319444,0,0,0.225625,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.159074074,3.631435185,1.211805556,0,1.972222222,0,0.699074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.631435185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0.316319444,0,0,0.290277778,0.290277778,0,0.380972222,0,0,0,0,0,0,0,0,2.159722222,3.631435185,1.211805556,0,1.972222222,0,0.699074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.972222222,0.380972222,3.631435185,0.225625,0.699074074,4.45393537,0.634259259,0.631435185,1.900462963,0.634259259,0.631435185,1.900462963,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.47858,0.74643,5.73058,1.25199,0.20867,2.27005,0.37834,2.80805,0.53801,0.08967,0.10595,0.01766,0.10595,0.01766,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.209690973,3.086048612,3.419381946,3.187719446,2.261069445,16.52932501,39.77443751,55.54887502,61.54887502,57.37895002,40.69925001,0.220218789,0.529911443,0.74007293,0.820010419,0.764454863,0.542232641,3.251629167,1.960234029,1.083876389,0.750543056,0.982205556,1.908855556,0.220218789,0.529911443,0.74007293,0.820010419,0.764454863,0.542232641,6.73287657,16.28447751,18.38904545,18.72498713,15.94503712,7.371711855,23.69925001,15.57894792,13.38195556,12.79699306,11.40701806,7.005430558,6,3.2,3,6,2,5,2.12,0.911,0.908560296,3.301927249,1.889881575,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.126,0.12,0.128,0.152,2.433,5,4,1,0,0,0,0,0,0,21,1.945910149,1.945910149,1.945910149,1.098612289,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,0,109.6959078,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,84.09390038,4.671883355,10.6758508,1.779308466,0,0,0,31,4,3.323,20,1.219,2.123631498,2.899970269,3.556163718,4.192301734,5.88270204,0,0,0,0,72.30904117,74.80740243,71.75925488,44.84780399,15.37461283,5.977201766,0,0,0,0,274.3286679,330.0828365,358.8256165,326.9785185,214.1458873,182.8564068,0,0,0,0,8.860546952,15.09415609,20.38319406,24.78034926,28.56585796,39.52272188,0,0,0,0,2.086978642,2.728313977,3.149069318,3.202767769,2.534326866,2.615525242,0,0,0,0,175.1912326,329.8894697,467.2561589,587.8451146,743.3668536,1087.815449,0,0,0,0,2.981019608,3.943223889,5.358752492,6.563400761,5.788272837,5.88270204,0,0,0,0,0.432999265,0.575327332,0.671451208,0.694686021,0.567188732,0.602388689,0,0,0,0,321.0130424,125.3539833,10.03705425,167.6842096,-65.47984297,-10.56554275,153.3288329,190.8338263,20.602597,0.656875072,0.256506422,0.020538389,0.343124928,-0.133988564,-0.021619812,156.8781917,61.26014717,4.905080829,81.94681243,-31.99981932,-5.163351708,0.145708114,0.26217034,3.239478739,5.870371394,488.697252,0,1,0,331.0578085,18.19499405,6.917799096,447.9391783,21.16457366,7.651378443,507.5585236,22.52905954,7.976800096,1.614441754,1.548464708,286.6491871,243.4177611,68.23540586,1.177601773,4.20088638,3.567323416,3.545600309,3.477616438,6.522108179,0.875453575,3.591793317,3.914856144,2.809144108,14.96129676,6.573278713,4.901360619,7.067919348,5.863633837,2.078803188,0.660501497,0.648627375,1.904596213,2.41E-10,5.90E-42,2.78E-95,2.53E-170,4.43E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0.301445031,3.914691781,0.175374784,5.052814874,1.622400242,0.248048757,0.511868237,0.194811722,0.795558644,0.055423534,0.035200744,0.013414227,1.70E-12,4.15E-44,1.96E-97,1.78E-172,3.12E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0.973075264,3.914703164,0.605915445,6.252938337,1.979903641,0.901204746,1.662821003,0.824763852,0.91557315,0.178919051,0.126306161,0.139786586,1.77E-11,4.33E-43,2.04E-96,1.85E-171,3.25E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390360553,3.91483824,2.610029593,14.06376556,6.039152668,4.511531171,6.600310185,5.330095444,1.950036198,0.623454177,0.599007543,1.696960936,2.15E-10,5.25E-42,2.48E-95,2.25E-170,3.95E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.434128364,3.91471756,0.93325876,7.320975706,2.419230433,1.437667526,2.508520423,1.413735505,1.040099242,0.263698947,0.198974555,0.303635145,3.85E-11,9.40E-43,4.43E-96,4.03E-171,7.06E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,4.337608177,3.914931338,3.58938207,18.61479249,8.813231995,6.463894428,8.874490243,8.050839879,2.612576442,0.797676588,0.84604765,2.777674579,3.52E-10,8.60E-42,4.05E-95,3.69E-170,6.46E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.912741976,2.662718092,1.21642766,7.657325299,3.468187565,2.023463177,3.984458376,1.950889117,1.599300597,0.509376446,0.269193729,0.489656158,6.20E-11,1.52E-42,7.15E-96,6.50E-171,1.14E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,3.441537837,1.187285226,0.499320226,0.671107971,0.231523411,0.462444258,0.463783849,0.440702358,5.128143289,6.397352005,13.56576119,0.506661956,1.366930465,2.772386541,0.669255635,0.148658892,0.772187761,0.18640655,0.298954985,0.147425989,0.038108327,3.590301068,2.367066026,6.233194052,0.658281641,0.484489302,3.037639513,0.874236184,0.289206384,0.723061215,0.208097858,0.359334732,0.251192766,0.146967702,4.201082081,3.786953802,8.756056515,0.584591822,0.757495199,3.42492227,1.174397969,0.490750409,0.672863405,0.230723314,0.457934154,0.453734188,0.425738435,5.090070648,6.279340047,13.34331767,0.509295108,1.337406778,3.156098789,0.96597949,0.351254039,0.705536402,0.215941813,0.388170659,0.306694292,0.217624934,4.473332319,4.496623344,10.04083323,0.558304603,0.912489885,3.493571533,1.22764471,0.526122319,0.665779708,0.233955689,0.476718107,0.495979263,0.489101672,5.247338561,6.772801847,14.2766078,0.498669561,1.461799042,3.448872411,1.172353551,0.489807695,0.674789611,0.229376997,0.46420991,0.452014046,0.424231326,5.111033657,6.306809854,13.3982819,0.512184416,1.340455282 +UMLRON0163,L,3-Methyl-1-Pentene,CCC(C)C=C,12969,,"Sandia, UML",[1],C6H12,PubChem,,96,0,1.1257,1.26720049,29.6281,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,924.178589,807.176836,398.598649,97.028064,9.144576,0,0,2914.106344,3494.423905,4233.124071,4132.331635,3091.254162,1434.429565,279.7536999,0,0,125.864664,123.114164,212.050868,238.901008,230.514724,203.948928,60.466176,0,0,22.06875486,27.30703172,35.7627251,36.53475244,30.39514106,17.35197558,4.001516144,0,0,2979.777961,2471.442353,4748.191412,5482.395107,5408.257135,5356.758935,1664.258868,0,0,36.27777778,40,53.91666667,64,59,36,9,0,0,48.76541633,50.97680359,30.80595297,23.74049518,12.07874694,3.2342688,1.016064,0,0,161.8947969,205.5543474,141.1041357,121.5391657,93.67436856,47.81431882,31.08374443,0,0,6.992481333,7.242009647,7.068362267,7.026500235,6.985294667,6.7982976,6.718464,0,0,1.226041937,1.606295984,1.192090837,1.074551542,0.921064881,0.578399186,0.444612905,0,0,165.54322,145.3789619,158.2730471,161.2469149,163.8865798,178.5586312,184.917652,0,0,2.015432099,2.352941176,1.797222222,1.882352941,1.787878788,1.2,1,0,0,0.038592396,-0.00617557,-0.00451563,-0.009604246,-0.018787068,0.014909591,0.004876724,0,0,484.264036,-53.80711511,-40.35533633,-107.6142302,-322.8426907,161.4213453,121.066009,0,0,900.5096538,-100.0566282,-75.04247115,-200.1132564,-600.3397692,300.1698846,225.1274134,0,0,0.094864,-0.010540444,-0.007905333,-0.021080889,-0.063242667,0.031621333,0.023716,0,0,4.025697139,-0.447299682,-0.335474762,-0.894599364,-2.683798093,1.341899046,1.006424285,0,0,21.86765075,-2.429738973,-1.822304229,-4.859477945,-14.57843384,7.289216918,5.466912688,0,0,5.160493827,-1.611454047,0.155349794,0.499314129,-3.599794239,1.08436214,0.891975309,0,0,0.002144022,-3.63E-04,-1.51E-04,-2.82E-04,-5.69E-04,4.97E-04,5.42E-04,0,0,26.90355756,-3.165124418,-1.345177878,-3.165124418,-9.783111838,5.380711511,13.45177878,0,0,50.0283141,-5.885684011,-2.501415705,-5.885684011,-18.19211422,10.00566282,25.01415705,0,0,0.005270222,-6.20E-04,-2.64E-04,-6.20E-04,-0.001916444,0.001054044,0.002635111,0,0,0.223649841,-0.026311746,-0.011182492,-0.026311746,-0.081327215,0.044729968,0.111824921,0,0,1.214869486,-0.142925822,-0.060743474,-0.142925822,-0.441770722,0.242973897,0.607434743,0,0,0.286694102,-0.094791415,0.005178326,0.01468571,-0.109084674,0.036145405,0.099108368,0,0,-0.169433346,-0.070204963,-0.131751361,-0.26553137,0.231800966,0.252729809,0,0,-0.117647059,-0.05,-0.117647059,-0.363636364,0.2,0.5,0,0,-0.117647059,-0.05,-0.117647059,-0.363636364,0.2,0.5,0,0,-0.117647059,-0.05,-0.117647059,-0.363636364,0.2,0.5,0,0,-0.117647059,-0.05,-0.117647059,-0.363636364,0.2,0.5,0,0,-0.117647059,-0.05,-0.117647059,-0.363636364,0.2,0.5,0,0,-0.330636082,0.018062201,0.051224317,-0.380491518,0.126076555,0.34569378,0,0,1.459660835,1.055742681,1.176552807,1.34679953,0.402210182,0,0,0,1.5,1.133333333,1.125,1.287878788,0.425,0,0,0,1.5,1.133333333,1.125,1.287878788,0.425,0,0,0,1.5,1.133333333,1.125,1.287878788,0.425,0,0,0,1.5,1.133333333,1.125,1.287878788,0.425,0,0,0,1.5,1.133333333,1.125,1.287878788,0.425,0,0,0,1.679425837,0.707655502,1.122308612,1.672085689,0.329425837,0,0,0,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,27.25284414,13.45049614,21.08763991,27.01827624,4.50304604,13.45049955,-0.351851852,2.22E-16,3.70E-17,-21.62619203,3000004.126,500000.6876,8.948474533,0,11.89,12.11007471,-0.159022962,0.062659336,5.366457677,7.685504018,5,17,16,16,4,1,1,0,0,1,13.118484,3.524328477,2.902564078,2.573034865,1.726226086,1.598026915,0.406593768,0.083923071,0.083923071,1.876003719,1.563026335,1.280443227,0.821967038,0.769718516,0.083923071,0.083923071,0.083923071,3.546132746,2.950308951,2.624263942,1.814059153,1.695309721,0.522690739,0.270913902,0.270913902,1.820965457,1.473453684,1.185260743,0.688178674,0.630337185,0.270913902,0.270913902,0.270913902,3.645373871,3.155598408,2.844992109,2.177235683,2.090117344,0.962616277,0.943918427,0.943918427,1.665838607,1.195492746,0.887865308,0.244758745,0.162386152,0.943918427,0.943918427,0.943918427,3.562376937,2.985267979,2.661820526,1.877656929,1.765276817,0.60441669,0.399277246,0.399277246,1.786494477,1.415133181,1.123102496,0.598842374,0.536857124,0.399277246,0.399277246,0.399277246,3.695672244,3.252217518,2.948765265,2.339024069,2.26277616,1.207644823,1.207644823,1.207644823,1.619710405,1.104407163,0.789944771,0.089099207,0.004703131,1.138227275,1.207644823,1.207644823,3.58984967,2.971222913,2.834627776,1.949815258,1.766170271,0.630759933,0.514285714,0.514285714,1.809181693,1.408678168,0.962193962,0.500143587,0.49081984,0.514285714,0.514285714,0.514285714,0,0,1,0,1,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.176776695,0,0,0,0.577350269,0.288675135,0,0.353553391,0.176776695,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.621320344,2.474873734,1.457106781,1,0.25,0,0,0,0.770220057,0.494974747,0.291421356,0.25,0.25,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,29,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,2,1,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.134259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,1.067361111,0.580555556,0,0.363194444,0,0,0,0,0,0,0,0,4.261574074,3.791666667,2.270833333,0,0,0,0,0,0,1.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.243402778,0.290277778,0,0.363194444,0,0,0,0,0,0,0,0,2.130787037,3.791666667,1.135416667,0,0,0,0,0,0,1.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.791666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.290277778,0.290277778,0,0.363194444,0,0,0,0,0,0,0,0,2.130787037,3.791666667,1.135416667,0,0,0,0,0,0,1.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.66666667,1.944444444,0.363194444,3.791666667,0.069444444,1.135416667,3.951986111,0.364583333,0.791666667,2.106481481,0.364583333,0.791666667,2.106481481,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.51663,0.75277,5.73058,1.21395,0.20232,2.30487,0.38414,2.80805,0.50319,0.08386,0.10595,0.01766,0.10595,0.01766,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.99107606,2.530493057,2.530493057,2.298830557,1.714954168,16.52932501,35.83936908,45.54887502,45.54887502,41.37895002,30.86917502,0.220218789,0.477484861,0.606843782,0.606843782,0.551288226,0.411267389,3.251629167,2.178848942,1.639431945,1.639431945,1.871094445,2.454970834,0.220218789,0.477484861,0.606843782,0.606843782,0.551288226,0.411267389,6.73287657,14.84279915,15.3864371,15.3864371,12.6064871,5.599970433,23.69925001,16.64860504,17.03625834,17.03625834,15.64628334,10.02974167,6,3.2,3,6,2,5,2.12,0.911,0.908560296,3.301927249,1.889881575,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.104,0.088,0.143,0.175,2.638,5,4,1,0,0,0,0,0,0,21,1.945910149,2.079441542,1.945910149,0.693147181,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,0,109.6959078,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,84.09390038,4.671883355,10.6758508,1.779308466,0,0,0,31,4,2.776,20,1.218176471,2.110641632,2.920231743,3.624818665,4.20956433,5.623149321,0,0,0,0,72.09694811,74.21656545,75.97776173,49.50282651,15.99596024,5.713479591,0,0,0,0,273.7619267,324.0813406,375.3190545,355.723339,219.2366275,174.7885364,0,0,0,0,8.854038609,14.97827854,20.57089328,25.35640978,28.70356723,37.77892628,0,0,0,0,2.083499297,2.676344453,3.266703144,3.436886715,2.578419397,2.500124754,0,0,0,0,175.1053983,329.7792162,467.0637944,591.481282,744.8280519,1039.819569,0,0,0,0,2.938117647,3.966175231,5.615582318,6.433007096,5.266164105,5.623149321,0,0,0,0,0.432308382,0.564455092,0.695362332,0.743339458,0.576447516,0.57581049,0,0,0,0,308.2486206,113.8802649,9.015344379,159.0987277,-58.77789566,-9.107771696,149.1498928,172.6581606,18.12311607,0.659570706,0.243673716,0.019290458,0.340429294,-0.125769186,-0.019488228,144.0591754,53.22163982,4.213297289,74.35436853,-27.46969368,-4.256492951,0.144650191,0.269229561,1.798376679,6.536451906,467.3473483,0,1,0,333.2330094,18.25467089,6.932917066,449.9020669,21.21089501,7.66253838,514.0541254,22.67276175,8.010684294,1.682558449,1.124205624,294.7152142,246.294061,61.82131638,1.196598948,4.767210268,3.983966622,3.510778589,3.19886722,6.397722307,0.999996207,3.510447354,3.996750848,4.017106173,5.615814589,7.850417139,8.673690574,2.412820275,10.26977523,3.620016362,1.876015069,0.361832119,0.702631956,3.53E-16,3.42E-53,6.38E-112,2.30E-192,1.60E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0.294594214,3.965537576,0.274083254,4.45981182,0.082938217,0.487493333,0.350381861,0.398762729,0.535396876,0.119964441,0.002548457,0.004948694,2.48E-18,2.41E-55,4.49E-114,1.62E-194,1.12E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0.950975814,3.96762373,0.926316058,4.639615374,0.646110938,1.732105226,0.594040483,1.592409945,0.741517736,0.411954175,0.026556542,0.05156921,2.59E-17,2.51E-54,4.68E-113,1.69E-193,1.17E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,3.313560064,3.993324053,3.748410572,5.525176936,7.013229274,8.021703459,2.223826137,9.374952516,3.281352328,1.745000398,0.322385933,0.626032423,3.14E-16,3.04E-53,5.69E-112,2.05E-192,1.42E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,1.401573849,3.970328157,1.407248562,4.779720316,1.336263876,2.713089012,0.813957148,2.655653566,1.008763835,0.632128622,0.057684251,0.112015216,5.62E-17,5.45E-54,1.02E-112,3.66E-193,2.55E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,4.239449476,4.011159963,5.056871571,5.973963637,11.36079426,11.25896606,3.183809264,13.9127719,5.044052832,2.387797846,0.527697998,1.024722673,5.14E-16,4.98E-53,9.31E-112,3.35E-192,2.33E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,1.900077255,2.927536004,2.057643692,4.710755695,2.17420155,4.473097078,0.911728357,3.311775594,1.364919054,0.863443477,0.095701053,0.185838983,9.33E-17,9.04E-54,1.69E-112,6.08E-193,4.22E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,3.899956611,1.18020692,0.369336683,0.715653997,0.216571589,0.568424556,0.508858724,0.444427299,5.449500214,6.479046528,13.62851329,0.573480996,1.521710579,2.848940616,0.655480827,0.079623165,0.794895412,0.182888579,0.303333289,0.156964303,0.020655452,3.584044607,2.146459076,5.879194047,0.692343118,0.480953044,3.266370054,0.863884999,0.194687971,0.75524002,0.199744828,0.398734718,0.272642011,0.123490649,4.324943023,3.625879064,8.500186391,0.632860029,0.794867378,3.873936416,1.16721618,0.362164193,0.716955264,0.216018462,0.560864894,0.497718186,0.427333418,5.403316789,6.347446226,13.38836855,0.575432896,1.485916498,3.452435536,0.956779316,0.24597709,0.741631189,0.205529509,0.445455614,0.334429414,0.197126567,4.655191943,4.387784752,9.855492872,0.612446784,0.977011595,3.981418893,1.220877457,0.391791836,0.711719008,0.218244228,0.592419065,0.544534074,0.500111225,5.594088186,6.899041813,14.39756138,0.567578512,1.637064364,3.868795597,1.170552395,0.361546704,0.716324945,0.216733053,0.559377316,0.500567475,0.425877455,5.400894696,6.350587608,13.38879281,0.574487418,1.485822246 +UMLRON0164,L,2-Ethyl-1-Butene,CCC(=C)CC,12970,,"Sandia, UML",[9],C6H12,PubChem,,99.3,0,2.5849,6.68170801,34.0286,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1371.110168,1041.190084,652.078731,190.750896,18.289152,0,0,3399.790734,4147.41404,5680.578881,6178.394007,4399.966812,2000.802945,559.5073998,0,0,146.842108,144.889944,255.226976,327.505936,451.473132,167.230656,120.932352,0,0,25.74688067,32.32302034,46.13219522,55.2487354,45.74235268,20.70468079,8.003032287,0,0,3476.407621,2904.481805,5651.532332,7065.504846,11585.06369,3961.097084,3328.517736,0,0,42.8125,47.375,65.25,91.5,93.5,48,18,0,0,48.76541633,51.7541979,38.08639356,22.63456704,9.879980773,7.947954,1.016064,0,0,161.8947969,207.370702,157.7938578,134.3129132,66.66616381,83.36678939,31.08374443,0,0,6.992481333,7.2444972,7.089638222,7.119694261,6.840502,6.967944,6.718464,0,0,1.226041937,1.616151017,1.281449867,1.201059465,0.69306595,0.862695033,0.444612905,0,0,165.54322,145.2240902,156.9870092,153.5979314,175.531268,165.0457118,184.917652,0,0,2.038690476,2.36875,1.8125,1.989130435,1.416666667,2,1,0,0,0.047328423,-0.011361899,-0.001123275,-0.025073475,0.020197363,-0.028795145,0.022492219,0,0,564.9747087,-53.80711511,121.066009,-753.2996116,443.9086997,-282.4873543,242.132018,0,0,1050.594596,-100.0566282,225.1274134,-1400.792795,825.4671826,-525.297298,450.2548269,0,0,0.110674667,-0.010540444,0.023716,-0.147566222,0.086958667,-0.055337333,0.047432,0,0,4.696646663,-0.447299682,1.006424285,-6.26219555,3.690222378,-2.348323331,2.01284857,0,0,25.51225921,-2.429738973,5.466912688,-34.01634562,20.04534652,-12.75612961,10.93382538,0,0,6.142857143,-2.272959184,1.915816327,-5.24744898,5.908163265,-5.234693878,1.859693878,0,0,0.002253734,-5.68E-04,-3.12E-05,-5.45E-04,3.06E-04,-0.001199798,0.001249568,0,0,26.90355756,-2.690355756,3.362944694,-16.37607851,6.725889389,-11.77030643,13.45177878,0,0,50.0283141,-5.00283141,6.253539262,-30.45201728,12.50707852,-21.88738742,25.01415705,0,0,0.005270222,-5.27E-04,6.59E-04,-0.003207961,0.001317556,-0.002305722,0.002635111,0,0,0.223649841,-0.022364984,0.02795623,-0.136134686,0.05591246,-0.097846805,0.111824921,0,0,1.214869486,-0.121486949,0.151858686,-0.739485774,0.303717372,-0.5315054,0.607434743,0,0,0.292517007,-0.113647959,0.05321712,-0.114074978,0.089517625,-0.218112245,0.103316327,0,0,-0.252068284,-0.01384462,-0.241854376,0.135783814,-0.532359834,0.554443197,0,0,-0.1,0.125,-0.608695652,0.25,-0.4375,0.5,0,0,-0.1,0.125,-0.608695652,0.25,-0.4375,0.5,0,0,-0.1,0.125,-0.608695652,0.25,-0.4375,0.5,0,0,-0.1,0.125,-0.608695652,0.25,-0.4375,0.5,0,0,-0.1,0.125,-0.608695652,0.25,-0.4375,0.5,0,0,-0.388517442,0.181928295,-0.38997725,0.30602537,-0.745639535,0.353197674,0,0,1.541805653,0.901827926,1.227291789,0.581584642,2.021203139,0.186066534,0,0,1.5,1.011904762,1.770186335,0.454545455,1.339285714,0,0,0,1.5,1.011904762,1.770186335,0.454545455,1.339285714,0,0,0,1.5,1.011904762,1.770186335,0.454545455,1.339285714,0,0,0,1.5,1.011904762,1.770186335,0.454545455,1.339285714,0,0,0,1.5,1.011904762,1.770186335,0.454545455,1.339285714,0,0,0,1.75,0.565245478,1.34036906,0.373062016,2.848837209,0,0,0,25.28522245,12.64261122,19.04265796,25.28522245,3.612174635,12.6426203,5.33E-15,0.051037396,0.007291057,-2.08263766,21.45879418,3.065542026,2.146294183,25.28522245,12.64261122,19.04265796,25.28522245,3.612174635,12.6426203,5.33E-15,0.051037396,0.007291057,-2.08263766,21.45879418,3.065542026,2.146294183,25.28522245,12.64261122,19.04265796,25.28522245,3.612174635,12.6426203,5.33E-15,0.051037396,0.007291057,-2.08263766,21.45879418,3.065542026,2.146294183,25.28522245,12.64261122,19.04265796,25.28522245,3.612174635,12.6426203,5.33E-15,0.051037396,0.007291057,-2.08263766,21.45879418,3.065542026,2.146294183,25.28522245,12.64261122,19.04265796,25.28522245,3.612174635,12.6426203,5.33E-15,0.051037396,0.007291057,-2.08263766,21.45879418,3.065542026,2.146294183,25.28522245,12.64261122,19.04265796,25.28522245,3.612174635,12.6426203,5.33E-15,0.051037396,0.007291057,-2.08263766,21.45879418,3.065542026,2.146294183,39.743938,19.63982614,30.23433399,39.41230535,5.630329335,19.63982615,-0.464285714,0.009633875,0.001376268,-3.249728842,18.78611619,2.683730885,2.053182668,0,11.79,12.21004853,-0.306698538,0.113536538,5.285170073,8.669503307,6,20,19,19,5,1,1,0,0,1,15.304898,3.571990513,3.086096242,2.333552793,2.333552793,2.081602508,0.968947737,0.462532469,0.083923071,1.924371986,1.567242636,1.249629723,1.249629723,0.985587762,0.358274801,0.083923071,0.083923071,3.594507583,3.117441122,2.405454588,2.405454588,2.149106565,1.087479385,0.568708837,0.270913902,1.870385549,1.495994651,1.134540686,1.134540686,0.86837619,0.198831496,0.270913902,0.270913902,3.695651842,3.258166219,2.704236987,2.704236987,2.437463642,1.565243433,0.966353878,0.943918427,1.716263563,1.286682201,0.76031856,0.76031856,0.492763459,0.348503915,0.943918427,0.943918427,3.611209759,3.140712048,2.457539916,2.457539916,2.198508613,1.17271113,0.643019113,0.399277246,1.836415191,1.45056785,1.058262671,1.058262671,0.791052675,0.091015967,0.399277246,0.399277246,3.746179623,3.327894888,2.838982085,2.838982085,2.570835787,1.770550101,1.207644823,1.207644823,1.6696926,1.222140369,0.631337262,0.631337262,0.366077787,0.548585918,1.124443729,1.207644823,3.58319263,3.270969672,2.514291495,2.514291495,2.242408973,1.273086931,0.560198167,0.509090909,1.914073143,1.332855862,0.987018768,0.987018768,0.699154765,0.016227396,0.509090909,0.509090909,0,0,1,1,0,3,1,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.560660172,0.353553391,0,0,0.75,1,0.25,0.612372436,0.637136847,0.144337567,5.914213562,3.060660172,3.310660172,1,0.75,0,0,0,0.844887652,0.510110029,0.413832521,0.25,0.25,0,0,0,5.491563832,2.670049972,3.053459452,0.756710003,0.433012702,0,0,0,0.784509119,0.445008329,0.381682431,0.189177501,0.144337567,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,4,1,0,2,0,0,0,0,0,0,0,0,3,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.604375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.376597222,0.312847222,0,0,0.967152778,0.290277778,0,0.689444444,0,0,0,0,0,0,0,0,6.609166667,3.646041667,1.104166667,0,1.958333333,0,0,0,0,0,0,0,0.432291667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.958333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.376597222,0.312847222,0,0,0.225625,0.290277778,0,0.312847222,0,0,0,0,0,0,0,0,2.203055556,3.646041667,1.104166667,0,1.958333333,0,0,0,0,0,0,0,0.432291667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.646041667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.376597222,0.312847222,0,0,0.290277778,0.290277778,0,0.376597222,0,0,0,0,0,0,0,0,2.203055556,3.646041667,1.104166667,0,1.958333333,0,0,0,0,0,0,0,0.432291667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.75,1.964285714,0.376597222,3.646041667,0.043402778,0.432291667,5.201054375,0.817708333,0.646041667,2.510416667,0.817708333,0.646041667,2.510416667,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0,0.14286,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.4148,0.9164,7.77542,1.36063,0.19438,2.49578,0.35654,3.06066,0.56488,0.0807,0.35334,0.05048,0.35334,0.05048,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.127387765,2.616878732,2.616878732,2.407720759,1.666326964,19.28421252,44.67514307,54.95445336,54.95445336,50.56213594,34.99286625,0.209068641,0.484342902,0.595785432,0.595785432,0.548166384,0.379373074,3.474021589,2.264929658,1.775438691,1.775438691,1.984596664,2.725990459,0.209068641,0.484342902,0.595785432,0.595785432,0.548166384,0.379373074,6.73287657,15.74885826,16.24217951,16.24217951,13.73228384,8.386886556,27.64912502,18.81705526,18.45511557,18.45511557,17.20016773,14.04411636,7,2.34375,6,7,2,5,2.23,1.0519,2.121320344,3.746748298,0,3.039342743,1,0,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.159,0.147,0.088,0.146,2.748,8,4,3,0,0,0,0,0,0,28,2.079441542,2.302585093,1.791759469,1.945910149,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,3,0.666666667,0.375,0,0,0,0,0,0,0,0.5,0.083333333,0.09375,0,0,0,0,0,0,0,0.677083333,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,0,126.9918924,3.807354922,3.36729583,3.970291914,4.812184355,5.433722004,6.285998095,6.91274282,7.767687277,8.395929104,9.25157828,69.19742968,2.564949357,0,3.80666249,0,5.198497031,0,6.650279049,0,8.123557835,8.386628821,98.10955045,4.671883355,12.44898539,1.778426484,0,0,0,46,4,3.933,28,1.2236,2.128188124,2.970473092,3.44893478,4.331238695,5.292209298,0,0,0,0,73.7959167,92.45740652,71.55148762,40.71533997,37.91829455,5.377223348,0,0,0,0,278.2003652,367.6302961,409.6035711,249.780336,387.4331452,164.5016813,0,0,0,0,8.897867644,15.15715904,21.16611167,23.6410227,30.3055715,35.55551765,0,0,0,0,2.110244062,2.919058182,3.627428368,2.514217988,3.94725971,2.352984549,0,0,0,0,175.6104775,329.1751612,455.1187844,601.8497258,704.8365256,978.6229174,0,0,0,0,2.94860625,4.05651428,5.975052415,5.116002123,9.120423327,5.292209298,0,0,0,0,0.43759575,0.611536828,0.772251791,0.550477804,0.859351058,0.541922232,0,0,0,0,348.0904295,152.1005579,10.46954152,120.9515135,-52.85061331,-7.64113451,227.138916,204.9511712,18.11067603,0.742130709,0.324279225,0.02232112,0.257869291,-0.112677798,-0.016290941,163.2690114,71.34154122,4.910654099,56.73133291,-24.78915435,-3.584012578,0.129639694,0.234836511,1.580210459,6.055939105,469.041943,0,1,0,393.1393776,19.82774263,7.32569526,529.3948196,23.00858143,8.089590956,657.1045344,25.63405029,8.693836893,1.544623655,1.281441922,322.5246562,317.8674282,116.173385,1.014651479,2.776235332,2.736146735,3.824577987,3.477616438,6.522110511,0.875454245,4.149594424,4.863415982,3.404129819,16.62774704,3.827229293,6.771185468,5.777380884,4.809792209,3.744880806,1.939333375,0.713258269,1.904596212,2.41E-10,5.90E-42,2.78E-95,2.53E-170,4.43E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348257413,4.863167282,0.194248329,8.295762281,0.811714195,0.389099397,0.401149427,0.309668544,0.864872204,0.064430472,0.035655945,0.013414227,1.70E-12,4.15E-44,1.96E-97,1.78E-172,3.12E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,1.124191339,4.86318438,0.687307528,9.694762114,1.033665749,1.36699113,0.955649968,1.061561893,1.185786022,0.272778128,0.131049703,0.139786586,1.77E-11,4.33E-43,2.04E-96,1.85E-171,3.25E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,3.916879296,4.863388847,3.150261275,16.01092474,3.503386278,6.265565312,5.256190779,4.475332768,3.47412808,1.762870371,0.656592506,1.696960935,2.15E-10,5.25E-42,2.48E-95,2.25E-170,3.95E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.656845653,4.863206114,1.073921729,10.74472327,1.302890393,2.134731333,1.497496321,1.627203204,1.485348457,0.467573355,0.209278162,0.303635144,3.85E-11,9.40E-43,4.43E-96,4.03E-171,7.06E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,5.011233796,4.863529977,4.409220899,19.03276235,5.184365492,8.773744882,7.92518417,6.115095413,4.854586561,2.662732628,0.940305734,2.777674578,3.52E-10,8.60E-42,4.05E-95,3.69E-170,6.46E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,2.26555339,3.190555999,1.355599262,10.79897481,1.637321154,3.216563717,2.184296857,2.481142198,2.420453071,0.844940477,0.288124044,0.493620969,6.25E-11,1.53E-42,7.20E-96,6.55E-171,1.15E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,3.237124687,1.205295638,1.028264292,0.591722045,0.220318977,0.409879533,0.491408057,0.408096509,5.470684617,8.469674457,17.95232991,0.387583067,1.309384099,2.690799754,0.616012449,0.568244257,0.694389819,0.158968638,0.283470647,0.128534574,0.124630254,3.87505646,3.536643189,8.353602093,0.541584729,0.536635474,2.907754366,0.850084523,0.750949283,0.644908178,0.188539468,0.330896964,0.244656478,0.217657975,4.508788172,5.293783401,11.65879578,0.467362267,0.793211418,3.223596371,1.190709496,1.016875492,0.593535026,0.21923582,0.406469698,0.479605035,0.39910662,5.43118136,8.327166264,17.66148877,0.390302539,1.285181353,3.004471714,0.954408332,0.832388433,0.627072293,0.199197423,0.353216665,0.308317299,0.267427118,4.79126848,6.162818798,13.34095515,0.44060844,0.928961082,3.279479188,1.250959997,1.063919584,0.586211811,0.223610971,0.420646874,0.529282928,0.436888866,5.594358769,8.92252025,18.88160621,0.379317717,1.386818669,3.251361799,1.188793008,1.016106066,0.595895591,0.217876864,0.413531162,0.478121732,0.398502875,5.456260872,8.376864404,17.76057455,0.393843387,1.290155769 +UMLRON0165,L,"4,4-Dimethyl-1-Pentene",CC(C)(C)CC=C,12984,,"Sandia, UML",[9],C7H14,PubChem,,104.4,0,0.9796,0.95961616,28.1049,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,924.178589,697.201851,456.166706,143.338608,15.24096,0,0,2914.106344,3494.423905,4233.124071,3990.857093,2907.715577,1572.940224,466.2561665,0,0,125.864664,123.114164,212.050868,239.27646,248.298824,145.478592,100.77696,0,0,22.06875486,27.30703172,35.7627251,36.19725956,28.72181563,16.69511646,6.669193573,0,0,2979.777961,2471.442353,4748.191412,5445.13309,6159.247629,3533.524545,2773.76478,0,0,36.27777778,40.08333333,54.16666667,63.16666667,54.5,35,15,0,0,48.76541633,50.97680359,30.80595297,20.50593679,12.67129739,6.825648,1.016064,0,0,161.8947969,205.5543474,141.1041357,117.3781498,80.76987715,74.90191545,31.08374443,0,0,6.992481333,7.242009647,7.068362267,7.037542941,6.897189556,6.927552,6.718464,0,0,1.226041937,1.606295984,1.192090837,1.064625281,0.797828212,0.795005546,0.444612905,0,0,165.54322,145.3789619,158.2730471,160.1509732,171.0902119,168.2630736,184.917652,0,0,2.015432099,2.357843137,1.805555556,1.857843137,1.513888889,1.666666667,1,0,0,0.039124775,-0.004409176,-0.00832854,-0.018822097,0.011110003,-0.012156049,0.013043472,0,0,484.264036,-53.80711511,-40.35533633,-269.0355756,80.71067267,-161.4213453,201.7766817,0,0,900.5096538,-100.0566282,-75.04247115,-500.283141,150.0849423,-300.1698846,375.2123557,0,0,0.094864,-0.010540444,-0.007905333,-0.052702222,0.015810667,-0.031621333,0.039526667,0,0,4.025697139,-0.447299682,-0.335474762,-2.236498411,0.670949523,-1.341899046,1.677373808,0,0,21.86765075,-2.429738973,-1.822304229,-12.14869486,3.644608459,-7.289216918,9.111521147,0,0,5.160493827,-1.528120713,1.062757202,-2.963648834,1.688271605,-2.326131687,1.486625514,0,0,0.002173599,-2.59E-04,-2.78E-04,-5.54E-04,3.09E-04,-5.79E-04,8.70E-04,0,0,26.90355756,-3.165124418,-1.345177878,-7.912811046,2.24196313,-7.68673073,13.45177878,0,0,50.0283141,-5.885684011,-2.501415705,-14.71421003,4.169026175,-14.29380403,25.01415705,0,0,0.005270222,-6.20E-04,-2.64E-04,-0.001550065,4.39E-04,-0.001505778,0.002635111,0,0,0.223649841,-0.026311746,-0.011182492,-0.065779365,0.018637487,-0.063899955,0.111824921,0,0,1.214869486,-0.142925822,-0.060743474,-0.357314555,0.101239124,-0.347105568,0.607434743,0,0,0.286694102,-0.089889454,0.03542524,-0.087166142,0.046896433,-0.110768176,0.099108368,0,0,-0.119324369,-0.12772276,-0.25468874,0.141981679,-0.266313878,0.400057682,0,0,-0.117647059,-0.05,-0.294117647,0.083333333,-0.285714286,0.5,0,0,-0.117647059,-0.05,-0.294117647,0.083333333,-0.285714286,0.5,0,0,-0.117647059,-0.05,-0.294117647,0.083333333,-0.285714286,0.5,0,0,-0.117647059,-0.05,-0.294117647,0.083333333,-0.285714286,0.5,0,0,-0.117647059,-0.05,-0.294117647,0.083333333,-0.285714286,0.5,0,0,-0.313537855,0.123564593,-0.30403884,0.163576555,-0.386363636,0.34569378,0,0,1.410578496,1.147823276,1.222907152,0.742539615,1.191828999,0.083119264,0,0,1.5,1.133333333,1.3125,0.708333333,1.113095238,0,0,0,1.5,1.133333333,1.3125,0.708333333,1.113095238,0,0,0,1.5,1.133333333,1.3125,0.708333333,1.113095238,0,0,0,1.5,1.133333333,1.3125,0.708333333,1.113095238,0,0,0,1.5,1.133333333,1.3125,0.708333333,1.113095238,0,0,0,1.663277512,0.584120813,1.526016746,0.621486244,1.568694463,0,0,0,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,28.54046478,14.09430646,23.24723,28.30589688,4.71764948,14.09430827,-0.351851852,0.180238238,0.030039706,-1.028085457,93.97254921,15.66209153,2.725801626,0,11.89,12.11007471,-0.173307264,0.049641164,5.172182174,7.378699054,5,17,16,16,4,1,1,0,0,1,13.118484,3.509509789,3.00861965,2.262902659,2.141043573,1.379788877,0.424417096,0.083923071,0.083923071,1.874624087,1.584109337,1.164868237,1.042942187,0.64012244,0.083923071,0.083923071,0.083923071,3.532363468,3.048689896,2.333133822,2.209460257,1.486312014,0.536930715,0.270913902,0.270913902,1.818000681,1.503276574,1.051065661,0.927186419,0.492791327,0.270913902,0.270913902,0.270913902,3.636051457,3.223537309,2.626375934,2.499237151,1.915342416,0.963715902,0.943918427,0.943918427,1.657359637,1.258033258,0.681610229,0.554435053,0.006770143,0.943918427,0.943918427,0.943918427,3.549373664,3.078163968,2.384102426,2.259374684,1.562752636,0.616168921,0.399277246,0.399277246,1.782439346,1.451112172,0.975670975,0.850703196,0.393624383,0.399277246,0.399277246,0.399277246,3.688375087,3.307384409,2.759159287,2.632200336,2.10108654,1.207644823,1.207644823,1.207644823,1.609293453,1.179526588,0.554654643,0.427824615,0.187161211,1.134156544,1.207644823,1.207644823,3.586723341,3.095911212,2.525735629,2.313103709,1.572946203,0.637933494,0.514285714,0.514285714,1.816692529,1.398803173,0.917864366,0.681223289,0.34634166,0.514285714,0.514285714,0.514285714,0,0,1,0,1,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.25,0,0,0,0.288675135,0.288675135,0,0.176776695,0.176776695,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.621320344,2.414213562,1.707106781,0.676776695,0.426776695,0,0,0,0.770220057,0.482842712,0.341421356,0.225592232,0.213388348,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,3,2,0,1,0,0,0,0,0,0,0,0,2,1,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.034212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368819444,0,0,0,0.759305556,0.580555556,0,0.368819444,0,0,0,0,0,0,0,0,4.220416667,3.744861111,2.412037037,0,0,0,0,0,0,1.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368819444,0,0,0,0.225625,0.290277778,0,0.368819444,0,0,0,0,0,0,0,0,2.059027778,3.744861111,1.180555556,0,0,0,0,0,0,1.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.744861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368819444,0,0,0,0.290277778,0.290277778,0,0.368819444,0,0,0,0,0,0,0,0,2.161388889,3.744861111,1.231481481,0,0,0,0,0,0,1.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.66666667,1.944444444,0.368819444,3.744861111,0.081597222,1.180555556,3.994889074,0.377314815,0.744861111,1.930555556,0.377314815,0.744861111,1.930555556,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.50196,0.75033,5.69868,1.19673,0.19945,2.22875,0.37146,2.77005,0.5413,0.09022,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.213298282,3.308270835,3.308270835,3.076608334,2.261069445,16.52932501,39.83936908,59.54887502,59.54887502,55.37895002,40.69925001,0.220218789,0.53077652,0.793364589,0.793364589,0.737809033,0.542232641,3.251629167,1.956626719,0.861654167,0.861654167,1.093316667,1.908855556,0.220218789,0.53077652,0.793364589,0.793364589,0.737809033,0.542232641,6.73287657,17.50946582,18.61300657,18.61300657,15.83305657,9.918186589,23.69925001,13.75537171,13.03809584,13.03809584,11.64812084,8.163743058,6,3.2,5.333333333,6,2,5,2.12,0.911,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.104,0.088,0.143,0.175,2.638,5,3,2,0,0,0,0,0,0,21,1.945910149,2.079441542,1.609437912,1.386294361,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,109.6959078,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,84.09390038,4.671883355,10.67917749,1.779862916,0,0,0,32,3,2.881,20,1.218176471,2.110601001,2.932698089,3.572508005,4.508951691,5.488026661,0,0,0,0,72.09694811,74.30938985,66.9830753,54.50861221,34.05797138,5.576186321,0,0,0,0,273.7619267,324.294709,363.7635244,317.5541809,362.4791392,170.5884182,0,0,0,0,8.854038609,14.97828794,20.68315813,24.71652767,31.35409745,36.87110955,0,0,0,0,2.083499297,2.677482179,3.241348729,3.035222925,3.782555501,2.440047476,0,0,0,0,175.1053983,329.7544042,466.4994325,605.5816193,749.2829873,1014.833004,0,0,0,0,2.944308824,3.998058916,5.568553144,5.603822318,7.838853047,5.488026661,0,0,0,0,0.432308382,0.564673059,0.692083803,0.657742344,0.827415843,0.56197393,0,0,0,0,345.7454924,129.0262223,10.45593991,162.1492469,-60.51128716,-10.50042628,183.5962455,189.5375094,20.95636619,0.680742417,0.254041265,0.020586825,0.319257583,-0.119141394,-0.020674414,175.6023167,65.53173953,5.310516876,82.3547495,-30.73336442,-5.33311127,0.143178198,0.267189428,4.510370501,6.184421945,507.8947393,0,1,0,333.2330094,18.25467089,6.932917066,449.9020669,21.21089501,7.66253838,502.1520734,22.40874993,7.948376307,1.524863477,1.524863477,320.5330172,269.0760086,64.85717175,1.191235959,4.94213683,4.148747184,3.6421286,3.477616438,6.454645435,0.856054442,3.510134988,3.965523711,4.772086919,10.38910679,2.338632526,3.938684801,2.588672017,8.163641833,1.939448387,1.654087221,0.11409806,1.628283808,2.42E-13,6.96E-48,3.86E-104,4.12E-182,8.49E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0.294592014,3.965317641,0.192876381,4.646356408,0.029704862,0.186749218,0.30638318,0.315332559,0.936676212,0.023743503,8.35E-04,0.011468136,1.71E-15,4.90E-50,2.72E-106,2.90E-184,5.98E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0.950952888,3.965331835,0.759429803,5.245572743,0.205094294,0.697478956,0.662079463,1.260184006,1.126065737,0.15247152,0.008454788,0.119506819,1.78E-14,5.11E-49,2.83E-105,3.02E-183,6.23E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,3.313281751,3.965501237,4.361507739,9.834830795,2.092597791,3.618740881,2.409978309,7.450694011,1.87264759,1.482089116,0.101680928,1.450771558,2.16E-13,6.20E-48,3.44E-104,3.67E-182,7.57E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,1.401524051,3.965349854,1.25766561,5.827051963,0.413356018,1.123829408,0.938964829,2.103918062,1.260617899,0.301428875,0.018287696,0.25958478,3.87E-14,1.11E-48,6.15E-105,6.57E-183,1.35E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,4.238993919,3.965618119,6.440158184,12.67150208,3.368449046,5.22576876,3.294546008,11.06733024,2.192926369,2.37288469,0.166298926,2.374698905,3.54E-13,1.02E-47,5.63E-104,6.01E-182,1.24E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,1.899994637,2.95134019,1.615036861,6.47688654,0.679806903,1.501221817,1.059260407,2.726447616,1.448690569,0.479094842,0.030285749,0.430664452,6.41E-14,1.84E-48,1.02E-104,1.09E-182,2.25E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,4.087574431,1.237328514,0.369336683,0.717843768,0.217294774,0.563798613,0.468392481,0.444427299,5.694239629,7.024354391,14.58657797,0.576765652,1.476618394,3.132393952,0.694175952,0.079623165,0.801904539,0.177711634,0.331998834,0.150656041,0.020655452,3.906193068,2.479116158,6.558444428,0.702856809,0.503310327,3.511332882,0.910326271,0.194687971,0.760630167,0.197196235,0.416596104,0.256819851,0.123490649,4.616347124,4.057302417,9.295961573,0.64094525,0.796906604,4.063887342,1.223921099,0.362164193,0.71927558,0.216624253,0.557305446,0.458532136,0.427333418,5.649972634,6.888932339,14.34026529,0.57891337,1.443171,3.680435086,1.00647984,0.24597709,0.746100882,0.204034436,0.457469402,0.312730254,0.197126567,4.932892017,4.857157414,10.70121836,0.619151323,0.967326223,4.161743349,1.279292586,0.391791836,0.713503555,0.219326309,0.584375552,0.499902719,0.500111225,5.832827771,7.455840871,15.37460262,0.570255332,1.584389496,4.06655996,1.230298281,0.361546704,0.718676023,0.217428461,0.558155859,0.46449127,0.425877455,5.658404944,6.918143363,14.38539601,0.578014034,1.448524584 +UMLRON0166,L,2-Methyl-1-Pentene,CCCC(=C)C,12986,,"Sandia, UML",[1],C6H12,PubChem,,94.2,0,3.1124,9.68703376,40.2054,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1179.348079,1360.019144,1085.549309,801.251812,734.534308,290.570112,36.578304,0,3823.307636,4570.930941,5596.926009,5590.766744,4462.365802,3443.911937,2753.678793,1119.0148,0,154.382624,152.43046,254.827808,257.950004,345.598096,196.195216,170.823168,241.864704,0,28.53578067,35.11192034,45.46326382,47.7954422,42.31069611,29.85348658,26.72506344,16.00606457,0,3603.201977,3031.276161,5683.327436,5412.565864,8504.667748,4563.659821,3674.941145,6657.035473,0,43.55555556,52,70,79.11111111,75.33333333,48,48,36,0,53.10626655,56.15943233,37.77830956,30.15414747,16.02503624,26.23336814,12.107088,1.016064,0,173.7867107,217.6633782,155.4701669,155.2990762,89.24731604,122.9968549,114.7366164,31.08374443,0,7.017392,7.258593333,7.078550222,7.165277889,6.91196192,7.006972,7.117632,6.718464,0,1.297080939,1.671996207,1.262868439,1.327651172,0.846213922,1.066195949,1.11354431,0.444612905,0,163.781908,144.3464838,157.8702066,150.3490518,170.093355,162.9878508,153.1225477,184.917652,0,1.97979798,2.476190476,1.944444444,2.197530864,1.506666667,1.714285714,2,1,0,0.043729913,0.004593357,-0.008593573,-0.034738628,0.015540693,0.003046431,-0.028812077,0.02709884,0,616.3360458,-49.02673092,136.0741919,-579.3158612,228.1243806,52.0283675,-672.3665954,576.3142247,0,1146.103196,-91.16729966,253.0357705,-1077.262582,424.207027,96.74897106,-1250.294395,1071.68091,0,0.120736,-0.009604,0.026656,-0.113484,0.044688,0.010192,-0.131712,0.112896,0,5.123614541,-0.407560248,1.131187626,-4.815864966,1.896402785,0.432512916,-5.589397681,4.790912298,0,27.8315555,-2.213873733,6.144629137,-26.15985493,10.30129002,2.349417023,-30.36169691,26.02431164,0,4.444444444,-1.333333333,2.444444444,-4.444444444,0.666666667,1.777777778,-5.333333333,4,0,0.001987723,2.19E-04,-2.39E-04,-9.65E-04,3.11E-04,1.09E-04,-0.001200503,7.53E-04,0,28.01527481,-2.334606234,3.779838665,-16.09210726,4.562487612,1.858155982,-28.01527481,16.00872846,0,52.0955998,-4.341299984,7.028771402,-29.9239606,8.48414054,3.455320395,-52.0955998,29.76891417,0,0.005488,-4.57E-04,7.40E-04,-0.003152333,8.94E-04,3.64E-04,-0.005488,0.003136,0,0.23289157,-0.019407631,0.031421878,-0.133774027,0.037928056,0.01544689,-0.23289157,0.133080897,0,1.265070705,-0.105422559,0.170684143,-0.726662637,0.2060258,0.083907751,-1.265070705,0.722897546,0,0.202020202,-0.063492063,0.067901235,-0.12345679,0.013333333,0.063492063,-0.222222222,0.111111111,0,0.110041114,-0.120092344,-0.48546087,0.156366765,0.054736541,-0.60395891,0.378697355,0,-0.083333333,0.134920635,-0.574404762,0.162857143,0.066326531,-1,0.571428571,0,-0.083333333,0.134920635,-0.574404762,0.162857143,0.066326531,-1,0.571428571,0,-0.083333333,0.134920635,-0.574404762,0.162857143,0.066326531,-1,0.571428571,0,-0.083333333,0.134920635,-0.574404762,0.162857143,0.066326531,-1,0.571428571,0,-0.083333333,0.134920635,-0.574404762,0.162857143,0.066326531,-1,0.571428571,0,-0.314285714,0.336111111,-0.611111111,0.066,0.314285714,-1.1,0.55,0,1.101865281,1.323153486,1.620165828,0.773186945,1.215530689,1.216963636,0,0,1.375,0.916666667,1.71875,0.66,0.883928571,2.0625,0,0,1.375,0.916666667,1.71875,0.66,0.883928571,2.0625,0,0,1.375,0.916666667,1.71875,0.66,0.883928571,2.0625,0,0,1.375,0.916666667,1.71875,0.66,0.883928571,2.0625,0,0,1.375,0.916666667,1.71875,0.66,0.883928571,2.0625,0,0,1.65,0.554166667,1.895833333,0.777,0.45,2.3625,0,0,30.77973384,15.38986692,23.28153786,30.77973384,3.84746673,15.3898676,1.60E-14,1.67E-16,2.08E-17,-29.06506837,25.18417526,3.148021907,2.580972665,30.77973384,15.38986692,23.28153786,30.77973384,3.84746673,15.3898676,1.60E-14,1.67E-16,2.08E-17,-29.06506837,25.18417526,3.148021907,2.580972665,30.77973384,15.38986692,23.28153786,30.77973384,3.84746673,15.3898676,1.60E-14,1.67E-16,2.08E-17,-29.06506837,25.18417526,3.148021907,2.580972665,30.77973384,15.38986692,23.28153786,30.77973384,3.84746673,15.3898676,1.60E-14,1.67E-16,2.08E-17,-29.06506837,25.18417526,3.148021907,2.580972665,30.77973384,15.38986692,23.28153786,30.77973384,3.84746673,15.3898676,1.60E-14,1.67E-16,2.08E-17,-29.06506837,25.18417526,3.148021907,2.580972665,30.77973384,15.38986692,23.28153786,30.77973384,3.84746673,15.3898676,1.60E-14,1.67E-16,2.08E-17,-29.06506837,25.18417526,3.148021907,2.580972665,32.58023,16.265115,24.29671821,32.54273,4.06784125,16.26511526,-0.05,5.00E-16,6.25E-17,-28.18617854,26.33645894,3.292057367,2.6167634,0,11.89,12.11011416,-0.170885669,0.051541342,5.973170219,7.861305017,7,21,19,19,5,2,2,0,0,2,15.304898,3.621530025,3.238315028,2.372530369,2.333552793,2.333552793,1.611468734,0.393023639,0.324855985,1.893675652,1.680902632,1.249629723,1.249629723,1.113117954,0.53833526,0.083923071,0.083923071,3.637414965,3.2652931,2.427097074,2.405454588,2.405454588,1.680144374,0.504261424,0.460945299,1.848484396,1.612082434,1.134540686,1.134540686,1.016070573,0.414863225,0.270913902,0.270913902,3.711091005,3.389929379,2.704236987,2.704236987,2.661574642,1.972238685,0.959346971,0.959091751,1.726606923,1.415852807,0.76031856,0.76031856,0.706816038,0.028322958,0.943918427,0.943918427,3.649313266,3.285510591,2.467101528,2.457539916,2.457539916,1.730289304,0.585048075,0.55563929,1.820714114,1.568688333,1.058262671,1.058262671,0.95217058,0.334220045,0.399277246,0.399277246,3.749447304,3.453688887,2.838982085,2.838982085,2.770829682,2.107741267,1.207644823,1.207644823,1.691799379,1.357490544,0.631337262,0.631337262,0.603302666,0.100040088,1.148961536,1.152463116,3.646269923,3.287814998,2.536263179,2.534194529,2.534194529,1.779914808,0.623923313,0.614021993,1.810216288,1.542125474,0.968977137,0.968977137,0.871535511,0.264330941,0.52173913,0.52173913,0,0,0,2,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.577350269,0,0,0,0.577350269,0.333333333,0.666666667,0.333333333,0.166666667,0.333333333,6.568914101,3.625897658,3.365043969,1.321367205,0.666666667,0.666666667,0,0,0.821114263,0.51798538,0.420630496,0.264273441,0.166666667,0.166666667,0,0,6.154700538,2.910683603,2.488033872,0.75,0.333333333,0.333333333,0,0,0.769337567,0.415811943,0.311004234,0.15,0.083333333,0.083333333,0,0,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.77118,38.322,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.67E-16,2.08E-17,-29.06506837,28.15755615,3.519694518,2.670252594,56,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,4,0,2,0,0,0,0,0,0,0,0,4,0,0,0,2,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.946666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.726388889,0,0,0,1.263611111,0,0.726388889,0,0,0,0,0,0,0,0,8.386666667,0,0,0,4.240740741,0,0,0,0,2.705925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.352962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.315902778,0,0.363194444,0,0,0,0,0,0,0,0,2.096666667,0,0,0,2.12037037,0,0,0,0,1.352962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.315902778,0,0.363194444,0,0,0,0,0,0,0,0,2.096666667,0,0,0,2.12037037,0,0,0,0,1.352962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.33333333,1.916666667,0.363194444,2.12037037,0.105,1.352962963,4.428911852,0.313703704,0.12037037,1.254814815,0.313703704,0.12037037,1.254814815,4,0.5,0,0,0.44545,0.7,0.42308,0.42308,0.7,0.02238,0.02238,0,0,0.71429,0,0,0.5,0.25,0,6.5,0.8125,3.5,0.4375,3,0.375,-0.5,-0.0625,0,0,6.13526,0.76691,8.87961,2.74435,0.34304,2.19816,0.27477,3.62588,1.42772,0.17847,0.28812,0.03601,0.28812,0.03601,0,7,0,0,0,0,0,0,0.5,0.945660305,1.867633891,1.867633891,1.867633891,1.867633891,1.553140107,20.8045267,41.0879456,41.0879456,41.0879456,41.0879456,34.16908236,0.212058483,0.418805366,0.418805366,0.418805366,0.418805366,0.348282077,3.513771314,2.591797728,2.591797728,2.591797728,2.591797728,2.906291511,0.209052139,0.412867981,0.412867981,0.412867981,0.412867981,0.343344498,6.786633838,13.7115537,13.7115537,13.7115537,13.7115537,9.937628296,31.28312609,24.63270148,24.63270148,24.63270148,24.63270148,20.85877608,8,3.9375,7.2,8,4,6,2.34,1.1498,1.62865057,3.265986324,4,0,1,2.828427125,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.088,0.279,0.328,3.6,8,5,4,4,0,0,0,0,0,36,2.302585093,2.708050201,2.564949357,2.833213344,2.833213344,0,0,0,0,0,4.33073334,2.083333333,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,5,0.714285714,0,3,5,0.666666667,2.5,0.666666667,0.25,0.32,0,0,0,0,0,0,0.357142857,0.083333333,0.05,0.08,0,0,0,0,0,0,0.57047619,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.67E-16,2.08E-17,-29.06506837,28.15755615,3.519694518,2.670252594,0,141.6514183,4,3.433987204,4.043051268,4.779123493,5.424950017,6.150602768,6.814542897,7.529943371,8.204398418,8.912338567,70.292938,2.708050201,0,3.850147602,0,5.105945474,0,6.408528791,0,7.738488122,8.049746291,110.1095504,5.004979566,14.50192071,1.812740089,0,0,0,74,5,3.128,30,1.211936671,2.100058557,3.0845735,3.671608836,4.604727295,5.908065528,6.238416604,0,0,0,78.55942786,92.49104103,100.6539275,70.63647891,142.5243188,71.52946925,6.338630529,0,0,0,288.3218612,363.6452397,496.837827,361.7080674,635.9936069,677.8714479,193.9133474,0,0,0,8.830546778,14.94786192,22.12598063,25.45645999,32.4535275,42.05143626,41.91257737,0,0,0,2.159433602,2.877546269,4.191674871,3.315644907,5.357572026,6.578892751,2.773680528,0,0,0,172.8474454,325.629516,462.2645469,618.8559571,736.5209484,904.6580456,1153.593351,0,0,0,3.114260634,4.3549923,6.877884217,5.750281707,8.431241717,11.81613106,6.238416604,0,0,0,0.446765435,0.602574854,0.885227526,0.713943615,1.1348635,1.417935727,0.63881386,0,0,0,313.7348886,142.0060073,9.233755978,100.9816198,-45.70737002,-5.505395023,212.7532687,187.7133773,14.739151,0.756504461,0.342417059,0.022265224,0.243495539,-0.110213529,-0.01327508,130.1110375,58.89223551,3.829391039,41.87874479,-18.9556009,-2.283178201,0.136309922,0.167258293,1.516773697,1.951477721,414.7165084,0,1,0,482.6596478,21.96951633,7.844170001,623.3458804,24.96689569,8.54233039,772.698755,27.79745951,9.176352133,1.404670188,1.404670188,649.1194404,540.2850278,121.6623309,1.201438883,5.335418414,4.440857116,4.465718572,4.487038913,7.752290869,0.727707519,5.923422169,4.920527978,4.485482109,10.06594518,2.324088985,7.895991289,5.439945845,6.151837802,4.759761356,2.288267592,8.88416447,4.189872706,6.247015516,0.004803335,0.004322797,1.05E-24,4.88E-68,4.40E-133,7.64E-220,0,0,0,0,0,0,0,0,0,0,0,0.497122881,4.908487684,0.22144975,7.355011031,1.671608904,0.449111973,0.402657288,0.90817753,1.808490046,0.432007058,0.627429697,0.194793571,0.137720412,3.39E-05,3.04E-05,7.37E-27,3.44E-70,3.10E-135,5.38E-222,0,0,0,0,0,0,0,0,0,0,0,1.60474625,4.909292353,0.816991268,7.764644892,1.761899387,1.582107467,1.046095025,1.682603993,2.392429912,0.623379242,2.103010841,0.707578402,0.699285977,3.53E-04,3.17E-04,7.68E-26,3.58E-69,3.23E-134,5.61E-221,0,0,0,0,0,0,0,0,0,0,0,5.591228015,4.9192061,4.127212385,9.849138376,2.26896993,7.303165657,4.995444143,5.726139261,4.572549904,2.108286692,8.304474757,3.838213009,5.630511627,0.004279701,0.003851534,9.32E-25,4.35E-68,3.92E-133,6.80E-220,0,0,0,0,0,0,0,0,0,0,0,2.36509497,4.910335547,1.307417059,8.0885208,1.836617271,2.474802847,1.602044081,2.302087184,2.798772684,0.810431835,3.178243353,1.149465819,1.288313903,7.66E-04,6.89E-04,1.67E-25,7.79E-69,7.01E-134,1.22E-220,0,0,0,0,0,0,0,0,0,0,0,7.1533876,4.926086275,5.922389548,10.92641425,2.545399764,10.24643493,7.240292455,7.846870315,5.460343071,3.029982168,11.11476389,5.61349591,8.804989305,0.007005135,0.006304393,1.53E-24,7.12E-68,6.41E-133,1.11E-219,0,0,0,0,0,0,0,0,0,0,0,3.224854277,4.589467161,1.678994385,8.753322581,2.071310674,3.527005241,2.158305881,2.979738987,2.905060639,1.030038537,4.408878906,1.6849169,2.032356275,0.001307608,0.001176716,2.85E-25,1.33E-68,1.20E-133,2.08E-220,0,0,0,0,0,0,0,0,0,0,0,6.318197271,1.943780882,0.28927997,0.738861718,0.227309345,0.679222132,0.657068085,0.363628448,8.551258122,14.67121585,26.77517655,0.608292578,1.699918665,4.848305464,1.046523728,0.058213001,0.814424845,0.175796457,0.399669885,0.190016396,0.014725196,5.953042192,5.417022402,11.6654296,0.721637267,0.604411477,5.408030304,1.388203758,0.14620277,0.778981564,0.199959149,0.497422085,0.334680164,0.092882165,6.942436832,8.501076237,16.54112276,0.668472347,0.924984414,6.279279917,1.920025864,0.283162266,0.740265673,0.226352266,0.670869543,0.641072182,0.348411022,8.482468048,14.37811386,26.27449375,0.610398509,1.660352748,5.667440429,1.546554128,0.186982059,0.765769266,0.208966223,0.546354621,0.4155612,0.151922116,7.400976616,10.11389095,19.15376594,0.648653899,1.113837937,6.440930785,2.018696666,0.308573316,0.734578388,0.230229293,0.705902542,0.708808899,0.413749861,8.768200767,15.61270079,28.39305991,0.601867582,1.828461302,6.27866585,1.920081712,0.282742569,0.740278625,0.226384949,0.670737887,0.641108075,0.347378972,8.481490131,14.37368642,26.26379415,0.610417937,1.659224934 +UMLRON0167,L,"2,5-dimethyl-2,4-hexadiene",CC(=CC=C(C)C)C,12992,,UML,[1],C8H14,PubChem,,94.3,0,2.764,7.639696,49.8384,25.601516,0,0,22,10,12,0,10,0,0,0,0,0,0,0,0,0,1454.833978,1587.926266,1955.19342,1641.439809,1237.006687,967.526621,507.55757,109.049472,6.096384,4608.173951,5612.008414,7333.964382,7148.612352,5567.899424,4536.651814,3201.644959,1290.897864,186.5024666,156.026728,160.816744,258.914352,294.032196,314.8711,206.929076,223.420808,137.562624,40.310784,33.22435486,41.25153172,56.17827501,58.0577923,47.78942427,37.99383782,30.28802103,14.24370934,2.667677429,3486.955385,3105.414133,5387.244044,6168.251149,7373.914496,4436.093343,5260.6015,3443.992206,1109.505912,49.55555556,60,84.11111111,92,78.66666667,62.66666667,54.66666667,28,6,66.12881718,72.17846664,54.31092833,40.03511729,27.48903749,33.36298693,15.86117406,5.4524736,1.016064,209.4624523,255.0912915,203.7212328,174.3563988,123.7310983,156.4362694,100.051405,64.54489321,31.08374443,7.092124,7.309852,7.192065333,7.171516976,6.997135556,7.135485379,6.98190025,6.8781312,6.718464,1.510197948,1.875069624,1.560507639,1.416043715,1.061987206,1.310132339,0.946500657,0.712185467,0.444612905,158.4979721,141.1551879,149.6456679,150.44515,163.8647666,152.968736,164.3937969,172.1996103,184.917652,2.252525253,2.727272727,2.336419753,2.243902439,1.748148148,2.16091954,1.708333333,1.4,1,0.05810288,2.90E-04,-0.015464703,-0.02671841,0.018443623,-0.014717422,-0.005827196,0.004775711,0.010166609,660.3600491,-6.39E-14,42.02291221,-416.22694,267.1456562,-320.1745693,-113.0616448,60.03273174,150.0818293,1227.96771,4.69E-13,78.14339971,-773.9917685,496.7687553,-595.3782835,-210.2429564,111.6334282,279.0835704,0.12936,1.88E-15,0.008232,-0.081536,0.052332,-0.06272,-0.022148,0.01176,0.0294,5.489587008,1.12E-14,0.349337355,-3.460103326,2.220787472,-2.661617943,-0.939883836,0.499053364,1.247633411,29.81952376,-4.22E-14,1.897606057,-18.79533619,12.06335279,-14.45795091,-5.105463916,2.710865796,6.77716449,4.929292929,-0.767676768,1.418732782,-3.812672176,2.836547291,-2.416896235,-1.008264463,0.205693297,1.079889807,0.00264104,1.32E-05,-4.30E-04,-6.52E-04,4.10E-04,-5.07E-04,-1.82E-04,2.39E-04,0.001694435,30.01636587,-2.91E-15,1.167303117,-10.15187659,5.936570138,-11.04050239,-3.533176399,3.001636587,25.01363822,55.81671408,2.13E-14,2.170649992,-18.87784801,11.03930567,-20.53028564,-6.570092386,5.581671408,46.5139284,0.00588,8.53E-17,2.29E-04,-0.001988683,0.001162933,-0.002162759,-6.92E-04,5.88E-04,0.0049,0.249526682,5.07E-16,0.009703815,-0.084392764,0.049350833,-0.091779929,-0.02937137,0.024952668,0.207938902,1.355432898,-1.92E-15,0.052711279,-0.458422834,0.268074506,-0.498550031,-0.159545747,0.13554329,1.129527415,0.22405877,-0.034894399,0.039409244,-0.092992004,0.063034384,-0.083341249,-0.031508264,0.010284665,0.179981635,0.004997143,-0.162653762,-0.246746941,0.155188217,-0.192158126,-0.068950065,0.090413447,0.641578649,-9.68E-17,0.038888889,-0.338211382,0.197777778,-0.367816092,-0.117708333,0.1,0.833333333,3.82E-16,0.038888889,-0.338211382,0.197777778,-0.367816092,-0.117708333,0.1,0.833333333,1.45E-14,0.038888889,-0.338211382,0.197777778,-0.367816092,-0.117708333,0.1,0.833333333,2.03E-15,0.038888889,-0.338211382,0.197777778,-0.367816092,-0.117708333,0.1,0.833333333,-1.41E-15,0.038888889,-0.338211382,0.197777778,-0.367816092,-0.117708333,0.1,0.833333333,-0.155737705,0.175887978,-0.415033986,0.28132969,-0.37196156,-0.140625,0.045901639,0.803278689,1.004785225,1.148648184,1.248982342,0.74645526,1.208132972,0.976010713,0.759956562,0.212882905,1.05,0.9625,1.314634146,0.727222222,1.327586207,1.02265625,0.77,0,1.05,0.9625,1.314634146,0.727222222,1.327586207,1.02265625,0.77,0,1.05,0.9625,1.314634146,0.727222222,1.327586207,1.02265625,0.77,0,1.05,0.9625,1.314634146,0.727222222,1.327586207,1.02265625,0.77,0,1.05,0.9625,1.314634146,0.727222222,1.327586207,1.02265625,0.77,0,1.226434426,0.749487705,1.425854658,0.578551913,1.395597795,1.094646516,0.85204918,0,41.00210446,20.35493517,30.80486297,41.00210446,4.100210446,20.35493518,-3.55E-15,0.128539035,0.012853904,-2.051522643,49.17230916,4.917230916,3.895330643,41.00210446,20.35493517,30.80486297,41.00210446,4.100210446,20.35493518,-3.55E-15,0.128539035,0.012853904,-2.051522643,49.17230916,4.917230916,3.895330643,41.00210446,20.35493517,30.80486297,41.00210446,4.100210446,20.35493518,-3.55E-15,0.128539035,0.012853904,-2.051522643,49.17230916,4.917230916,3.895330643,41.00210446,20.35493517,30.80486297,41.00210446,4.100210446,20.35493518,-3.55E-15,0.128539035,0.012853904,-2.051522643,49.17230916,4.917230916,3.895330643,41.00210446,20.35493517,30.80486297,41.00210446,4.100210446,20.35493518,-3.55E-15,0.128539035,0.012853904,-2.051522643,49.17230916,4.917230916,3.895330643,41.00210446,20.35493517,30.80486297,41.00210446,4.100210446,20.35493518,-3.55E-15,0.128539035,0.012853904,-2.051522643,49.17230916,4.917230916,3.895330643,44.51618881,21.919012,33.37745224,44.48418881,4.448418881,21.919012,-0.053333333,0.178108299,0.01781083,-1.725363493,45.03093263,4.503093263,3.807349645,0,11.85,12.1501118,-0.207934131,0.092255903,6.095796875,8.933131493,10,22,18,18,6,4,4,0,0,4,13.118484,3.777960215,3.371412409,2.670416513,2.64911457,2.333552793,1.903815594,0.926938202,0.76065722,1.962776577,1.72335231,1.249629723,1.127677787,1.102295258,0.702158617,0.305911373,0.231845178,3.788934908,3.39200807,2.697314064,2.675203415,2.405454588,1.960967758,1.040358538,0.882111232,1.931960796,1.666291727,1.134540686,1.056003609,1.028724763,0.592502036,0.145009386,0.063813204,3.839201747,3.488193344,2.824495443,2.79848862,2.704236987,2.20766894,1.509333156,1.389380056,1.849694817,1.508492472,0.851359665,0.824694856,0.76031856,0.255710328,0.404709933,0.518308207,3.797117787,3.407481326,2.71764637,2.694893082,2.457539916,2.002899591,1.122815948,0.971195398,1.913161916,1.630750608,1.058262671,1.010727403,0.982818829,0.521426262,0.03633571,0.050215565,3.865109307,3.538337815,2.890708226,2.863278479,2.838982085,2.324101819,1.714330405,1.608939802,1.826120186,1.462951383,0.791032153,0.765965708,0.631337262,0.146072262,0.603646471,0.73245906,3.798977832,3.409588832,2.743039857,2.729421452,2.527114381,2.055007618,1.212831295,1.058096656,1.906914214,1.607575396,0.976707453,0.975390243,0.920387284,0.454529464,0.067964407,0.156379683,0,0,0,6,2,2,0,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.018518519,0.612372436,0,0,0,0.384900179,0,0,0,0.642228525,1.041888478,1.093412989,0.303561201,0.414672312,0.361597767,7.397341225,4.7876937,4.133584955,2.529482726,2.089508593,1.454567768,0.595522031,0.319035594,0.739734123,0.47876937,0.344465413,0.210790227,0.149250614,0.103897698,0.074440254,0.053172599,6.464101615,3.488033872,2.632371439,1.254914293,0.882597297,0.504605765,0.180223163,0.082668548,0.646410162,0.348803387,0.219364287,0.104576191,0.063042664,0.036043269,0.022527895,0.013778091,13.25096682,21.32702112,20.35294118,20.56,14.79132695,165.140309,0.602316674,0.969410051,0.92513369,0.934545455,0.672333043,7.506377681,2.92709,44.705,42.8834899,62.95133481,85.7669798,8.57669798,42.8834899,0.20866802,0.020866802,-1.567010712,39.432933,3.9432933,3.67460133,92,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,2,0,6,0,0,0,0,0,0,0,0,2,0,0,0,6,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.566462585,0,0,0,0.689787415,0,2.566462585,0,0,0,0,0,0,0,0,4.208333333,0,0,0,12.50583333,0,0,0,0,2.619166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.280092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.394444444,0,0,0,0.344893707,0,0.394444444,0,0,0,0,0,0,0,0,2.104166667,0,0,0,2.030092593,0,0,0,0,1.280092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.439795918,0,0,0,0.344893707,0,0.439795918,0,0,0,0,0,0,0,0,2.104166667,0,0,0,2.166666667,0,0,0,0,1.339074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.33333333,1.933333333,0.439795918,2.166666667,0.125,1.280092593,4.950330833,0.386574074,0.166666667,1.428333333,0.386574074,0.166666667,1.428333333,5,0.5,0,0,0.48182,0.7,0.43333,0.43333,0.7,0.04848,0.04848,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.0132,0.60132,11.44878,5.43557,0.54356,2.34681,0.23468,4.78768,2.44087,0.24409,0.12632,0.01263,0.21232,0.02123,0.272727273,10,0,0,0,0,0,0,0.2,0.994030211,2.253553209,2.651502641,3.265583323,3.481714573,3.265583323,21.86866465,49.5781706,58.3330581,71.8428331,76.59772061,71.8428331,0.222905136,0.50534539,0.594583092,0.732286893,0.780752991,0.732286893,3.465401407,2.20587841,1.807928978,1.193848296,0.977717046,1.193848296,0.211476005,0.479434552,0.564096723,0.694739964,0.740721035,0.694739964,6.685280239,15.80382441,20.57921759,23.57385599,23.79167847,21.19810347,36.74662124,30.74484747,24.38661799,19.92002383,19.35220896,22.7590982,8.1,4,3.111111111,4,8,3,2.56,1.237,0.5,2.921736458,2.309401077,0,7.732315986,5.638173476,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.151,0.136,0.629,0.808,4.834,12,12,14,14,8,6,4,0,0,90,2.708050201,3.135494216,3.496507561,3.931825633,4.290459441,3.970291914,4.043051268,3.891820298,0,0,5.877735782,3.955555556,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,3,0.3,0,3,6,1,2,0.444444444,0.4375,0.311111111,0.118055556,0.08,0,0,0,0,0.2,0.037037037,0.048611111,0.044444444,0.023611111,0.04,0,0,0,0,0.393703704,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,0,147.7140115,4.321928095,3.80666249,4.532599493,5.323009979,6.070737728,6.865891075,7.621195163,8.416046009,9.174609562,9.968479096,81.7792306,3.044522438,0,4.234106505,0,5.609471795,0,7.067319849,0,8.564267599,8.822174761,132.0939004,6.004268199,19.53512296,1.953512296,0,0,0,126,9,3.523,44,1.240127785,2.190678057,3.109876164,3.85603283,4.784806281,5.324448282,6.400641798,7.21532685,0,0,100.2774153,131.5259429,129.940137,116.678286,171.9106027,92.5956318,34.82592851,7.331233861,0,0,341.502268,479.6654383,558.4807451,508.1893915,775.1869713,569.2046637,412.5751151,224.2793758,0,0,9.099603122,15.82122095,22.34230407,27.05394067,34.16852886,37.31079229,44.0218123,48.47591369,0,0,2.461817926,3.614788126,4.505144097,4.286494489,6.40594259,5.302584289,4.554016988,3.20802743,0,0,172.9055008,323.2455983,464.9621958,626.6015794,730.5106499,864.7379851,1102.398448,1334.2413,0,0,3.509504277,5.351635986,7.093633234,6.974462995,10.47200455,9.461123803,8.95428038,7.21532685,0,0,0.505696349,0.749413415,0.944845805,0.909071511,1.349698339,1.140847472,1.006806389,0.738849469,0,0,302.6738644,162.5059321,13.45055289,117.5236105,-63.09855629,-6.471876373,185.1502539,225.6044884,19.92242926,0.720313382,0.386737051,0.032010075,0.279686618,-0.150164054,-0.015401988,127.1827936,68.28458234,5.651888361,49.38312438,-26.51385402,-2.71946611,0.116117721,0.139970218,2.270785457,1.179702391,420.1974749,0,1,0,717.2657864,26.78181821,8.951449622,838.3024611,28.95345335,9.429027746,1221.919426,34.9559641,10.69089809,1.385805867,1.332810101,729.4640603,682.3747273,152.148139,1.069008026,4.794433013,4.484936405,4.486359755,4.644766144,8.382413327,0.804700833,5.270294467,5.009453661,1.833798802,13.9758112,3.038547145,8.664690377,2.641782597,4.965625756,5.728543651,4.104372803,2.726731986,2.716159007,2.405283518,0.983007616,1.802008968,0.250909599,2.73E-17,5.71E-55,2.31E-114,1.80E-195,2.70E-298,0,0,0,0,0,0,0,0,0,0.44230461,5.004485847,0.151440099,8.670409294,1.121972932,1.97341734,0.463789456,1.547356563,0.39497258,0.216089068,1.438149582,0.415601743,0.159024623,0.010651103,0.012701695,0.001767177,1.92E-19,4.02E-57,1.62E-116,1.27E-197,1.90E-300,0,0,0,0,0,0,0,0,0,1.427800269,5.00481789,0.490486417,9.148898412,1.364303309,3.248620132,0.836732242,1.949838646,0.88325418,0.781977291,1.553232995,0.803821767,0.541574827,0.081724381,0.13228295,0.018415345,2.00E-18,4.19E-56,1.69E-115,1.32E-196,1.98E-299,0,0,0,0,0,0,0,0,0,4.974728387,5.008908268,1.729263952,13.43718161,2.868545873,8.222994009,2.483106373,4.651908723,5.189619681,3.785749106,2.595508304,2.546533553,2.240897336,0.878408831,1.605564433,0.223555935,2.43E-17,5.09E-55,2.06E-114,1.60E-195,2.41E-298,0,0,0,0,0,0,0,0,0,2.104312143,5.005248325,0.724525351,9.656841844,1.574862043,4.150916405,1.114014811,2.313798646,1.396719525,1.238078387,1.676161706,1.094483899,0.826737386,0.168343263,0.287311641,0.04000059,4.34E-18,9.10E-56,3.68E-115,2.87E-196,4.31E-299,0,0,0,0,0,0,0,0,0,6.364642623,5.011746945,2.222595188,16.21290966,3.727788137,10.33649656,3.258062091,6.245777308,7.96510825,5.375592008,3.272019615,3.376891176,3.044442496,1.421465499,2.628028114,0.365928069,3.97E-17,8.33E-55,3.36E-114,2.62E-195,3.94E-298,0,0,0,0,0,0,0,0,0,2.82001707,4.698640313,0.87982843,10.31751903,1.704857689,4.938767257,1.390957213,2.721350789,2.026467547,1.674026211,1.92362551,1.429879546,1.137950672,0.275964742,0.48214183,0.067128014,7.29E-18,1.53E-55,6.17E-115,4.81E-196,7.23E-299,0,0,0,0,0,0,0,0,0,6.225815954,1.377821307,0.824161013,0.738723893,0.163485321,0.562373552,0.458312918,0.389270475,8.427798275,14.84468327,30.34218571,0.60808584,1.409956945,4.899861426,0.756352126,0.403861649,0.808547958,0.124809033,0.349702966,0.13307678,0.08862439,6.0600752,5.990348334,13.54714313,0.712821936,0.571404136,5.34893055,0.966526167,0.54702489,0.779445521,0.140842078,0.416080238,0.220830213,0.166851407,6.862481606,8.624593356,18.31512873,0.669168281,0.803761858,6.183885899,1.358141307,0.810960845,0.740320214,0.162593469,0.554875678,0.444968055,0.37657141,8.352988052,14.51487964,29.67879605,0.61048032,1.376415143,5.578457224,1.07410732,0.619818987,0.767074124,0.147696737,0.452240478,0.274541347,0.216245243,7.272383531,10.11524755,21.10150076,0.650611186,0.943027067,6.361016571,1.441282827,0.866696189,0.733766272,0.166257188,0.58689386,0.502700309,0.431612513,8.668995587,15.9302471,32.5451341,0.600649407,1.521206682,6.186203368,1.357771855,0.810411923,0.740473629,0.162522018,0.555294204,0.444606769,0.375913804,8.354387146,14.51318029,29.67458415,0.610710444,1.375814777 +UMLRON0168,L,1-phenyl-2-methylpropene,CC(=CC1=CC=CC=C1)C,13030,,UML,[1],C10H12,PubChem,,100.5,0,1.3255,1.75695025,35.532,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1106.796102,1110.860358,779.919339,248.409504,27.433728,0,0,3399.790734,4147.41404,5063.01831,5187.353288,4731.845919,2997.771428,839.2610996,0,0,146.842108,144.889944,254.381208,281.255064,275.662956,329.671296,181.398528,0,0,25.74688067,32.32302034,42.78148384,44.55993546,43.10284392,33.38218473,12.00454843,0,0,3476.407621,2904.481805,5704.188715,6443.859323,6147.15562,8303.73542,4992.776605,0,0,37.27777778,44.33333333,62.58333333,67,70,66,27,0,0,48.76541633,51.7541979,30.74433617,27.77150895,19.99793177,5.175198,1.016064,0,0,161.8947969,207.370702,140.6393975,129.6838322,121.3293825,62.45357141,31.08374443,0,0,6.992481333,7.2444972,7.066144667,7.0313766,7.068280923,6.868152,6.718464,0,0,1.226041937,1.616151017,1.188374551,1.113998387,1.105201126,0.695462182,0.444612905,0,0,165.54322,145.2240902,158.4496865,161.0964831,157.6193749,172.9944879,184.917652,0,0,1.775132275,2.216666667,1.738425926,1.675,1.794871795,1.375,1,0,0,0.037857571,-0.001636127,-0.008330421,-0.003883593,-0.02275288,0.00140958,0.016264655,0,0,564.9747087,-53.80711511,-40.35533633,13.45177878,-484.264036,-80.71067267,363.198027,0,0,1050.594596,-100.0566282,-75.04247115,25.01415705,-900.5096538,-150.0849423,675.3822403,0,0,0.110674667,-0.010540444,-0.007905333,0.002635111,-0.094864,-0.015810667,0.071148,0,0,4.696646663,-0.447299682,-0.335474762,0.111824921,-4.025697139,-0.670949523,3.019272855,0,0,25.51225921,-2.429738973,-1.822304229,0.607434743,-21.86765075,-3.644608459,16.40073807,0,0,3.415343915,-0.877047115,-0.424981104,0.70622323,-1.71579743,-1.362055933,1.965986395,0,0,0.001802741,-8.18E-05,-2.31E-04,-9.71E-05,-5.83E-04,2.94E-05,6.02E-04,0,0,26.90355756,-2.690355756,-1.120981565,0.336294469,-12.41702656,-1.681472347,13.45177878,0,0,50.0283141,-5.00283141,-2.084513087,0.625353926,-23.08999112,-3.126769631,25.01415705,0,0,0.005270222,-5.27E-04,-2.20E-04,6.59E-05,-0.00243241,-3.29E-04,0.002635111,0,0,0.223649841,-0.022364984,-0.009318743,0.002795623,-0.103223004,-0.013978115,0.111824921,0,0,1.214869486,-0.121486949,-0.050619562,0.015185869,-0.560708994,-0.075929343,0.607434743,0,0,0.162635425,-0.043852356,-0.011805031,0.017655581,-0.043994806,-0.028376165,0.072814311,0,0,-0.045378849,-0.128360386,-0.053856766,-0.323622213,0.016289775,0.334154764,0,0,-0.1,-0.041666667,0.0125,-0.461538462,-0.0625,0.5,0,0,-0.1,-0.041666667,0.0125,-0.461538462,-0.0625,0.5,0,0,-0.1,-0.041666667,0.0125,-0.461538462,-0.0625,0.5,0,0,-0.1,-0.041666667,0.0125,-0.461538462,-0.0625,0.5,0,0,-0.1,-0.041666667,0.0125,-0.461538462,-0.0625,0.5,0,0,-0.269635941,-0.072585851,0.108559256,-0.270511827,-0.174477149,0.44771495,0,0,1.37394002,1.266503852,1.217803159,1.397757423,0.700626151,0.002679253,0,0,1.5,1.130952381,1.017857143,1.538461538,0.803571429,0,0,0,1.5,1.130952381,1.017857143,1.538461538,0.803571429,0,0,0,1.5,1.130952381,1.017857143,1.538461538,0.803571429,0,0,0,1.5,1.130952381,1.017857143,1.538461538,0.803571429,0,0,0,1.5,1.130952381,1.017857143,1.538461538,0.803571429,0,0,0,1.707978311,1.021172218,0.76859024,1.426443425,1.097986057,0,0,0,25.80825086,12.90412543,18.14019341,25.80825086,3.68689298,12.90413257,1.78E-15,0,0,0,4000004.229,571429.1756,10.64126418,25.80825086,12.90412543,18.14019341,25.80825086,3.68689298,12.90413257,1.78E-15,0,0,0,4000004.229,571429.1756,10.64126418,25.80825086,12.90412543,18.14019341,25.80825086,3.68689298,12.90413257,1.78E-15,0,0,0,4000004.229,571429.1756,10.64126418,25.80825086,12.90412543,18.14019341,25.80825086,3.68689298,12.90413257,1.78E-15,0,0,0,4000004.229,571429.1756,10.64126418,25.80825086,12.90412543,18.14019341,25.80825086,3.68689298,12.90413257,1.78E-15,0,0,0,4000004.229,571429.1756,10.64126418,25.80825086,12.90412543,18.14019341,25.80825086,3.68689298,12.90413257,1.78E-15,0,0,0,4000004.229,571429.1756,10.64126418,29.54117308,14.71185638,21.26165,29.45727285,4.208181836,14.7118575,-0.117460317,2.22E-16,3.17E-17,-25.23055737,4000004.123,571429.1604,10.64126416,0,11.89,12.11009426,-0.158911248,0.062820356,5.524376364,8.314253756,6,20,19,19,5,1,1,0,0,1,15.304898,3.576870491,2.902564078,2.845468358,2.139109863,1.598026915,1.472511966,0.333124688,0.083923071,1.900191781,1.563026335,1.505026487,1.018476414,0.769718516,0.607698402,0.083923071,0.083923071,3.596407201,2.950308951,2.892294398,2.206084254,1.695309721,1.565969172,0.463338498,0.270913902,1.848460365,1.473453684,1.414493482,0.905522179,0.630337185,0.47196189,0.270913902,0.270913902,3.68617235,3.155598408,3.095489574,2.488819214,2.090117344,1.947317474,0.957943414,0.943918427,1.704859824,1.195492746,1.13527835,0.542566335,0.162386152,0.017363809,0.943918427,0.943918427,3.611004527,2.985267979,2.926692233,2.254882417,1.765276817,1.63333687,0.555128054,0.399277246,1.816261445,1.415133181,1.355669245,0.830985382,0.536857124,0.381019047,0.399277246,0.399277246,3.732211593,3.252217518,3.191994659,2.618263328,2.26277616,2.114748025,1.207644823,1.207644823,1.662823713,1.104407163,1.044565447,0.419247416,0.004703131,0.144497933,1.15550033,1.207644823,3.606550465,3.031713175,3.016242499,2.342880338,1.814483785,1.721308326,0.646722783,0.552631579,1.813941039,1.352696166,1.245068323,0.731347362,0.45402711,0.267031898,0.552631579,0.552631579,0,0,0,1,1,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0.204124145,0,0,0,0.144337567,0,0,0,0.612372436,0.612372436,0,0.433012702,0.433012702,0,5.698670613,3.346065215,2.090770275,1.732050808,0.866025404,0,0,0,0.814095802,0.557677536,0.348461713,0.288675135,0.288675135,0,0,0,5.491563832,2.987345747,1.654030206,1.316496581,0.65824829,0,0,0,0.784509119,0.497890958,0.275671701,0.219416097,0.219416097,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,36,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,3,0,1,0,0,0,0,0,0,0,0,3,0,2,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,1.067361111,0.870833333,0,0.300694444,0,0,0,0,0,0,0,0,6.486111111,0,2.430555556,0,2.194444444,0,0,0,0,1.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.243402778,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.099537037,0,1.215277778,0,2.194444444,0,0,0,0,1.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.194444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.290277778,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.193287037,0,1.215277778,0,2.194444444,0,0,0,0,1.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.80952381,0.300694444,2.194444444,0.041666667,1.215277778,4.368638889,0.284722222,0.194444444,1.361111111,0.284722222,0.194444444,1.361111111,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.07079,0.86726,7.12629,1.0555,0.15079,2.77028,0.39575,3.34606,0.57578,0.08225,0.06794,0.00971,0.06794,0.00971,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.911092835,2.855904922,2.855904922,2.64674695,2.114511128,19.28421252,40.13294954,59.97400337,59.97400337,55.58168595,44.40473368,0.209068641,0.435098981,0.650204584,0.650204584,0.602585536,0.481411274,3.474021589,2.481224587,1.5364125,1.5364125,1.745570473,2.277806295,0.209068641,0.435098981,0.650204584,0.650204584,0.602585536,0.481411274,6.73287657,15.92600679,16.87821207,16.87821207,14.3683164,7.981486528,27.64912502,17.29583807,17.85206274,17.85206274,16.59711491,11.46523287,7,4.166666667,2.666666667,7,2,5,2.23,1.0519,0.75,4.326748711,1.5,0,1.5,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,3.184,6,6,3,0,0,0,0,0,0,28,2.079441542,2.302585093,2.397895273,1.791759469,0,0,0,0,0,0,3.663561646,1.357142857,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,1.5,0.666666667,0.375,0,0,0,0,0,0,0,0.25,0.111111111,0.0625,0,0,0,0,0,0,0,0.423611111,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,0,126.9918924,3.807354922,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,66.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921535632,98.10955045,4.671883355,12.6691974,1.809885343,0,0,0,48,6,3.3,24,1.214061726,2.10305665,2.985468263,3.867959799,4.510644829,4.826160221,0,0,0,0,73.93822584,76.22639929,94.86166275,81.96166545,23.41242738,4.903687659,0,0,0,0,277.7082929,328.7932868,422.0674328,486.8268031,282.2259065,150.0151309,0,0,0,0,8.830802614,14.93524761,21.07414466,27.39714199,30.98227573,32.4243837,0,0,0,0,2.102890776,2.700687816,3.541157443,4.395153037,3.141141302,2.145773115,0,0,0,0,174.0985961,327.8548861,474.9920628,605.2843994,780.1190382,892.4422163,0,0,0,0,2.787238195,3.835593073,5.198753933,7.047109468,6.208353134,4.826160221,0,0,0,0,0.435935643,0.56904934,0.749405998,0.939277011,0.695494693,0.494198807,0,0,0,0,308.7795497,123.8259954,8.388571501,61.26197304,-24.56712175,-3.682093443,247.5175767,148.3931171,12.07066494,0.834445679,0.334627299,0.022669271,0.165554321,-0.066390176,-0.009950487,114.2612548,45.82075989,3.104119772,22.66947379,-9.090855142,-1.362527465,0.141853805,0.219139887,1.29603395,1.971013023,370.0415228,0,1,0,389.5617231,19.73731803,7.303405699,529.9342841,23.02030156,8.092337845,621.8527879,24.93697632,8.535504492,1.38089626,1.359990262,417.7559452,290.1577799,143.5421037,1.439754417,2.910337347,2.021412342,4.073993044,3.545643581,6.918654327,0.951311284,5.791877606,4.759494379,4.657105252,14.55318488,11.32913555,5.336628272,9.920089575,7.139549124,7.802161982,2.374801653,0.916674587,0.253654478,0.515967315,2.10E-15,1.65E-51,2.50E-109,7.31E-189,4.12E-290,0,0,0,0,0,0,0,0,0,0,0,0,0.486077041,4.743446514,0.231775535,3.466580776,2.654929828,0.268983965,2.914484293,0.432662847,0.099587961,0.155572878,0.072469843,0.001786519,0.003634,1.48E-17,1.16E-53,1.76E-111,5.15E-191,2.90E-292,0,0,0,0,0,0,0,0,0,0,0,0,1.569104052,4.744518991,0.853010847,4.315098454,3.770917457,0.935176421,4.048834901,1.283235477,0.646254685,0.530900094,0.236880509,0.018616829,0.037869082,1.54E-16,1.21E-52,1.83E-110,5.36E-190,3.02E-291,0,0,0,0,0,0,0,0,0,0,0,0,5.467060297,4.757732509,4.286403131,13.37406959,10.56653014,4.896126049,9.386622816,6.545549386,6.967795144,2.211466864,0.862194851,0.22600158,0.459717588,1.87E-15,1.47E-51,2.23E-109,6.51E-189,3.67E-290,0,0,0,0,0,0,0,0,0,0,0,0,2.312568142,4.745909399,1.363221487,5.31757196,4.731373066,1.501829328,4.915313494,2.021064225,1.326044,0.811610716,0.352091776,0.040438216,0.082256706,3.35E-16,2.63E-52,3.99E-110,1.16E-189,6.56E-291,0,0,0,0,0,0,0,0,0,0,0,0,6.994529898,4.766902777,6.142948553,19.48708617,14.41565811,7.115515482,12.0140294,9.547109899,11.30340257,3.010752881,1.12156559,0.369931185,0.752489837,3.06E-15,2.41E-51,3.65E-109,1.07E-188,6.00E-290,0,0,0,0,0,0,0,0,0,0,0,0,3.302319878,4.396961968,2.081534213,6.650806863,6.630205845,2.135413772,5.890557603,2.865867933,2.48328445,1.276603846,0.542189569,0.077466539,0.157577275,6.42E-16,5.04E-52,7.64E-110,2.23E-189,1.26E-290,0,0,0,0,0,0,0,0,0,0,0,0,4.010787817,2.073916011,0.376670122,0.620732966,0.320971364,0.54844391,0.53141661,0.476020671,6.46137395,10.60996321,20.2044932,0.431099449,1.55588119,2.877226321,1.382368667,0.081204139,0.662833326,0.318459488,0.282253351,0.236125318,0.022123804,4.340799126,4.323284256,8.987063711,0.494249988,0.540502472,3.327440144,1.657028833,0.198553637,0.641988352,0.319703184,0.377488018,0.339262287,0.132269332,5.183022615,6.503348706,12.78112941,0.462982527,0.849019637,3.982724027,2.056795248,0.369355217,0.621438918,0.320929244,0.540796188,0.522679808,0.457711623,6.408874492,10.42237581,19.85687817,0.432158376,1.52118762,3.52811898,1.779456171,0.250861138,0.634732287,0.32013611,0.424390757,0.391239483,0.211139867,5.558436289,7.609597435,14.74297334,0.452098431,1.026770106,4.098648049,2.127516549,0.399571138,0.618595159,0.321098914,0.572734083,0.559237416,0.535663045,6.625735736,11.20773723,21.31770993,0.427892738,1.667634543,3.988567036,2.057768058,0.369376965,0.621687351,0.320738842,0.542345504,0.523088234,0.457765526,6.415712059,10.44092275,19.88831318,0.432531027,1.523199264 +UMLRON0169,L,3-Ethyl-2-Pentene,CCC(=CC)CC,13159,,"Sandia, UML",[1],C7H14,PubChem,,93.7,0,0.0693,0.00480249,30.1528,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1577.550344,1642.863492,1049.043836,386.396809,87.883488,9.144576,0,3346.887898,3979.09551,4987.888639,5240.669144,4289.999718,2550.706399,1154.675865,279.7536999,0,152.568096,145.6753,259.249424,286.636152,311.269376,223.283044,143.482752,60.466176,0,23.35516286,28.53615172,37.79289304,39.9539312,33.68605599,23.58185018,13.35045943,4.001516144,0,3350.680532,2804.677982,5521.432194,6154.645747,6622.522955,5141.259865,3692.500067,1664.258868,0,92.05555556,56.72222222,94.16666667,110.0833333,133.5,68,27,9,0,69.4856748,68.35965826,46.39853953,43.23324979,26.8985599,12.87989363,4.184928,1.016064,0,167.3443949,209.4260795,146.702607,137.9123459,109.9999928,85.02354662,54.98456499,31.08374443,0,7.6284048,7.667121053,7.624983059,7.543056632,7.981266051,7.442768133,6.832512,6.718464,0,1.167758143,1.501902722,1.111555678,1.051419242,0.863745025,0.786061673,0.635736163,0.444612905,0,167.5340266,147.6146306,162.3950645,161.9643618,169.8082809,171.3753288,175.8333365,184.917652,0,4.602777778,2.985380117,2.769607843,2.896929825,3.423076923,2.266666667,1.285714286,1,0,0.269505657,-0.160634931,0.013089229,0.088035821,-0.057384909,-0.041804832,0.012896434,0.011050359,0,715.056216,-13.739645,119.254472,80.947092,-612.241636,-306.061991,166.9536,207.36,0,931.2646053,-148.2416011,102.7223183,-146.245463,-417.7504463,-248.2415601,128.2469715,263.877478,0,1.9334688,0.00145024,0.64351424,-0.01862352,-1.59332176,-0.5557088,0.34692336,0.20903184,0,4.097118945,-1.072153629,0.499338656,-1.675745333,-0.490932104,-0.383101928,0.183939983,0.890094883,0,23.01673804,-6.548761719,3.087389767,-10.93371879,-0.944701555,-1.033900707,0.461845853,4.403478133,0,37.60555556,-1.000277778,8.806666667,3.438333333,-28.4475,-10.375,4.9725,3.8025,0,0.013475283,-0.00845447,3.85E-04,0.002316732,-0.001471408,-0.001393494,6.14E-04,0.001227818,0,35.7528108,-0.723139211,3.507484471,2.130186632,-15.69850349,-10.20206637,7.950171429,23.04,0,46.56323026,-7.80218953,3.021244656,-3.848564816,-10.71154991,-8.27471867,6.106998644,29.31971978,0,0.09667344,7.63E-05,0.018926889,-4.90E-04,-0.040854404,-0.018523627,0.01652016,0.02322576,0,0.204855947,-0.056429138,0.014686431,-0.044098561,-0.012588003,-0.012770064,0.008759047,0.098899431,0,1.150836902,-0.344671669,0.090805581,-0.287729442,-0.024223117,-0.034463357,0.02199266,0.489275348,0,1.880277778,-0.052646199,0.259019608,0.090482456,-0.729423077,-0.345833333,0.236785714,0.4225,0,-0.627405758,0.028569147,0.171924564,-0.1091931,-0.103411144,0.045573508,0.091116285,0,-0.02022608,0.09810374,0.059580956,-0.439084456,-0.28535005,0.222364934,0.644424857,0,-0.167561174,0.064884774,-0.082652445,-0.230043101,-0.177709292,0.131154961,0.629675382,0,7.90E-04,0.195781689,-0.005069569,-0.422602155,-0.191610298,0.170886233,0.240249649,0,-0.275457653,0.071691504,-0.2152662,-0.06144807,-0.0623368,0.042757103,0.482775496,0,-0.299496539,0.078903953,-0.250017567,-0.021048262,-0.029946343,0.019110145,0.425147427,0,-0.02799916,0.137756033,0.048121856,-0.38793368,-0.183926725,0.125931241,0.224700842,0,1.614377019,1.031814043,1.044440898,1.498355621,0.79612244,0.092659922,0.032333808,0,1.04922138,0.890865298,0.904510365,1.542213185,1.186900274,0.459555111,0,0,1.505949528,0.973881522,1.11845331,1.067296894,1.012326263,0.656161652,0,0,0.713221749,0.771811478,0.876815287,2.093785333,1.151047451,0.033293529,0,0,1.749688453,0.998761092,1.276073199,0.881583528,0.8641304,0.666742434,0,0,1.787392882,0.997733486,1.311363166,0.869859622,0.827389598,0.644694439,0,0,0.591667898,0.547967377,0.910400355,2.302209166,1.141010489,0.072177785,0,0,30.30966979,15.40483489,22.79672018,30.68466979,3.835583724,15.40483562,0.5,0.142311184,0.017788898,-1.559791344,29.99903271,3.749879089,2.720932111,30.31938333,15.40895725,22.80220878,30.6932817,3.836660213,15.40895797,0.498531158,0.14196674,0.017745843,-1.561729978,29.99209681,3.749012101,2.720747126,39.13386299,19.16793702,28.27925623,38.53537127,4.816921409,19.16793703,-0.797988956,0.144158309,0.018019789,-1.54947457,41.2651445,5.158143063,2.976014548,30.3295786,15.4132841,22.80797089,30.7023208,3.8377901,15.41328482,0.4969896,0.14160523,0.017700654,-1.563769729,29.98485613,3.748107016,2.720553967,48.75409381,23.29475264,35.09551086,47.13065241,5.891331551,23.29475264,-2.164588529,0.340515097,0.042564387,-0.861836654,41.90034755,5.237543444,2.988235297,31.33045267,15.83836052,23.38025302,31.59015395,3.948769243,15.83836097,0.346268372,0.106219262,0.013277408,-1.793799853,29.46142199,3.682677748,2.706465343,34.19803463,17.34095476,26.80018909,34.6782478,4.334780975,17.34095489,1.095833333,0.301564296,0.037695537,-0.959017626,40.01505932,5.001882414,2.951404693,0,11.99635523,15.99825889,-0.3493946,0.264054594,4.193306313,7.72387889,7,19,18,18,6,1,1,0,0,1,15.992484,3.586614086,3.050932489,2.688763771,2.466585324,1.797501059,1.123331266,1.049369143,0.083923071,1.845537054,1.473606042,1.403631446,0.977876722,0.720705554,0.25806702,0.083923071,0.083923071,3.520143755,2.956189774,2.711441848,2.395720859,1.85513588,1.144602724,0.634090801,0.270913902,1.817854331,1.454123158,1.320258814,0.965531105,0.684064053,0.19132646,0.270913902,0.270913902,3.672453382,3.219906517,2.96785034,2.69850979,2.221055269,1.621067384,1.25583111,0.943918427,1.630469028,1.138124051,0.990264609,0.617674041,0.248010656,0.348786291,0.943918427,0.943918427,3.517648614,2.943329862,2.740639752,2.393110899,1.903582328,1.204335644,0.465143438,0.399277246,1.809572149,1.446007806,1.260698968,0.962252031,0.620695279,0.111699033,0.399277246,0.399277246,3.698999882,3.266825189,3.072077576,2.760569365,2.365328351,1.799003449,1.209058028,1.207644823,1.593964866,1.082863397,0.891068854,0.553237071,0.113774169,0.520042781,1.207644823,1.207644823,4.750095844,3.358525648,3.218009482,2.875758846,2.108873097,1.861717195,1.372793263,0.571428571,1.73401754,1.174928325,1.064287175,0.635454813,0.327523256,0.247580593,0.571428571,0.571428571,0,0,1,0,0,2,1,1,0,0,0,0,0,0,0,0,0,0,0,0.471404521,0,0.166666667,0,0.252236668,0,0.034020691,0,1.276142375,1.138071187,0.666666667,0.501036548,0.366153904,0.185395406,6.568914101,3.718744015,2.771064349,2.259305623,0.804737854,0.166666667,0,0,0.821114263,0.531249145,0.346383044,0.282413203,0.201184464,0.166666667,0,0,5.600953631,2.797877056,1.8324556,1.215925826,0.36785113,0.083333333,0,0,0.700119204,0.399696722,0.22905695,0.151990728,0.091962783,0.083333333,0,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.2055,31.471,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,52,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.98453704,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.554930556,0.5125,0,0,0,0,0,0,0,0,0,0,5.22412037,0,0.853842593,0,0,0,0.055555556,0,0,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,4.463935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.463935185,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305625,0.5125,0,0,0,0,0,0,0,0,0,0,1.411203704,0,0.853842593,0,0,0,0.055555556,0,0,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,4.463935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,1.959907407,0,0.853842593,0,0,0,0.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,4.463935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21,2.625,0.555902778,10.52060185,0.305625,-0.118055556,2.708629074,1.784722222,3.520601852,8.969074074,1.784722222,3.520601852,8.969074074,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.5,0.27273,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,6.01086,0.75136,9.0653,3.05444,0.38181,2.61947,0.32743,3.71873,1.09926,0.13741,0.19527,0.02441,0.19527,0.02441,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,2.070950594,3.20869497,3.50869497,3.50869497,2.97650216,25.90923688,41.41901189,64.17389939,70.17389939,70.17389939,59.5300432,0.299741647,0.479172848,0.742422109,0.811835573,0.811835573,0.688697751,3.026466251,2.2509775,1.113233125,0.813233125,0.813233125,1.345425935,0.299741647,0.479172848,0.742422109,0.811835573,0.811835573,0.688697751,12.01211119,21.71746765,23.96333241,24.26567992,24.26567992,17.87936621,29.38046565,17.93632218,16.47566766,15.81239862,15.81239862,14.61239862,8,3.9375,2.8125,8,3,4,1.9,1.0284,0.766309432,1.5,2.941682753,0,0,1.414213562,0,1,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.426,0.519,0.065,3.13,8,8,4,1,0,0,0,0,0,36,2.197224577,2.397895273,2.48490665,1.791759469,0.693147181,0,0,0,0,0,3.784189634,1.194444444,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,5,0.666666667,2,1.333333333,0.375,0.08,0,0,0,0,0,0,0.285714286,0.166666667,0.046875,0.02,0,0,0,0,0,0,0.519255952,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,26.3,127.2763612,4,3.433987204,4.143134726,4.875197323,5.609471795,6.34738921,7.085901464,7.825245291,8.564649133,9.304285985,72.18926213,2.708050201,0,3.850147602,0,5.209486153,0,6.642486801,0,8.103191752,8.371242136,116.0837296,5.804186481,14.49160575,1.811450719,5.077950154,5.077950154,0,68,8,1.356,30,1.230631579,2.10680655,2.889819559,3.564355007,4.389057371,5.349143907,6.79785035,0,0,0,94.58963281,108.879308,134.2715988,109.9193985,66.98196976,25.72757282,6.907051018,0,0,0,279.0386343,334.0250429,419.7085069,420.5430219,408.4064773,319.3254527,211.302643,0,0,0,9.500427541,16.18242679,21.88119533,28.39829995,33.03790729,36.6683616,45.67111286,0,0,0,1.953218228,2.479943116,3.152770837,3.243312831,3.65623049,3.602197189,3.022411991,0,0,0,180.0610686,338.2988374,465.0751377,599.7410964,745.7202625,930.9777688,1257.042526,0,0,0,3.768368421,6.155369749,8.568111114,12.1888228,10.529112,7.178776614,6.79785035,0,0,0,0.448387105,0.58516517,0.763555305,0.837353471,0.877974645,0.799509797,0.696099876,0,0,0,338.8200805,252.8657596,12.13944192,164.8720833,-123.0461445,-19.66429084,173.9479972,375.9119041,31.80373275,0.672672924,0.502024407,0.024100915,0.327327076,-0.244288384,-0.039040295,170.6610194,127.3665016,6.114541767,83.04477637,-61.97737876,-9.904749199,0.353778497,0.427092014,1.602123358,5.011195418,451.6892906,52.00287319,0.896756636,0.103243364,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,1014.28531,31.84784625,10.04739274,1.668155058,1.539546775,495.0290116,420.3362583,114.1531504,1.177697621,4.336533946,3.682213386,3.944755798,4.193003682,7.360793762,0.755494228,3.360032699,4.293005079,4.847085292,13.03653433,5.42563327,6.213619808,4.709670526,6.92449559,2.374204484,2.223323768,2.948224338,4.632195514,0.369242764,0.28803231,3.60E-18,8.68E-57,4.04E-117,3.62E-199,6.27E-303,0,0,0,0,0,0,0,0,0,0,0,0.298491782,4.443993348,0.459935393,5.033334073,0.865177266,1.931167879,1.053191497,0.452676845,0.104612005,0.19714718,1.142479908,0.09781656,0.002600846,0.002028635,2.54E-20,6.12E-59,2.84E-119,2.55E-201,4.41E-305,0,0,0,0,0,0,0,0,0,0,0,0.91615042,4.162909296,0.960463538,5.676574558,1.42686024,1.991644784,1.545504477,1.349794795,0.380200438,0.405365579,1.47887639,0.507466843,0.027100943,0.021139942,2.64E-19,6.37E-58,2.96E-118,2.66E-200,4.60E-304,0,0,0,0,0,0,0,0,0,0,0,3.176711882,4.443571398,5.562891658,13.12722209,5.14893918,6.26586238,4.803179225,6.740578564,2.172501974,2.546897185,2.826288627,4.172091108,0.32898882,0.256631602,3.21E-18,7.74E-57,3.60E-117,3.23E-199,5.58E-303,0,0,0,0,0,0,0,0,0,0,0,1.342655413,4.056105554,1.136391886,6.278302855,1.889307533,2.244065512,1.863317619,1.99973526,0.625287002,0.47736995,1.719361229,0.941864208,0.058866282,0.045918779,5.74E-19,1.38E-57,6.44E-118,5.78E-200,9.99E-304,0,0,0,0,0,0,0,0,0,0,0,4.057749124,4.388466877,6.806722368,16.29955632,7.120441514,8.109368509,6.038994012,9.209891697,3.205201203,3.168040706,3.412629123,6.542984811,0.538505091,0.420068054,5.25E-18,1.27E-56,5.89E-117,5.28E-199,9.14E-303,0,0,0,0,0,0,0,0,0,0,0,2.084251054,4.107910035,5.401829337,11.90086805,3.553270293,6.692271969,4.213229246,4.836292578,1.122234779,2.00545607,2.499279873,1.789440542,0.120570079,0.094051366,1.18E-18,2.84E-57,1.32E-117,1.18E-199,2.05E-303,0,0,0,0,0,0,0,0,0,0,0,4.977041903,1.156823915,0.501467609,0.750081659,0.174342997,0.496886923,0.42534389,0.442705071,6.635333427,8.833496125,18.35605995,0.625122488,1.364935885,3.585743667,0.840383992,0.170110926,0.780147419,0.182841682,0.259222114,0.238256437,0.047460256,4.596238585,3.766334251,8.875185367,0.670221128,0.544938807,4.208466049,0.909937418,0.298046752,0.776978626,0.16799516,0.355437207,0.264656551,0.157578491,5.416450219,5.354964259,11.91276685,0.665467939,0.777672248,4.864206345,1.148659577,0.486435341,0.748419891,0.176735857,0.474784285,0.420494959,0.418896424,6.499301263,8.512187688,17.7293575,0.622629837,1.314175668,4.513127767,0.968652356,0.358859871,0.772711171,0.165846955,0.408505259,0.298067827,0.22683464,5.840639994,6.338842749,13.74829316,0.659066756,0.933407726,5.053318218,1.190294538,0.526301703,0.746437529,0.175821208,0.512259998,0.450398332,0.487872485,6.769914459,9.3009611,19.23654719,0.619656293,1.450530815,4.881928224,1.163583272,0.489716548,0.747017272,0.178047845,0.478429683,0.431814877,0.422940946,6.535228045,8.641117039,17.95819464,0.620525908,1.333185507 +UMLRON0170,L,Methyl 2-methylbutanoate,CCC(C)C(=O)OC,13357,"""Methyl 2-methylbutyrate ""","Sandia, UML",[11],C6H12O2,PubChem,,110.5,0,2.4075,5.79605625,48.6502,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2115.628885,2089.387452,1445.789695,659.955074,268.554553,78.738912,9.144576,4670.34144,5841.481647,7996.552878,8627.150907,7353.404818,4796.070567,2180.670932,874.9221648,279.7536999,169.463656,175.052008,300.446356,343.926768,382.5223,355.86164,245.8801,83.016576,60.466176,34.11358067,43.47862034,61.85917094,68.87187532,63.83170571,46.76284309,23.70180291,9.348943289,4.001516144,3856.790689,3411.659229,6406.831556,7256.509721,8465.861487,8392.495636,6344.551342,2028.241198,1664.258868,48.58333333,59.27777778,86.77777778,101.6111111,102,82.66666667,44.5,18,9,60.70275442,67.17251842,50.37211631,43.52890525,26.77388324,12.94029557,7.459848694,6.561576,1.016064,194.59756,243.3950686,190.3941161,179.7323106,136.1741633,94.04059935,60.57419257,72.9101804,31.08374443,7.060985667,7.293833667,7.153484667,7.165141,7.083746296,6.977679216,6.830002778,6.918048,6.718464,1.421399194,1.811609181,1.472837403,1.434830736,1.182068624,0.916918492,0.658383414,0.779078607,0.444612905,160.6996121,142.1524679,152.5436085,151.1772859,156.7752127,164.558738,176.2375373,169.0200999,184.917652,2.024305556,2.469907407,2.066137566,2.116898148,1.888888889,1.620915033,1.236111111,1.5,1,0.044186467,4.99E-05,0.002029488,-0.019525218,-0.019804894,-0.008500781,0.020543343,-0.002701841,0.005816779,706.2183858,-1.07E-13,186.6434305,-211.8655158,-489.308453,-350.5869844,373.2868611,-50.44417042,189.1656391,1313.243245,1.28E-13,347.0714291,-393.9729735,-909.8899627,-651.9314681,694.1428581,-93.80308893,351.7615835,0.138343333,2.23E-15,0.036562167,-0.041503,-0.095852167,-0.068677583,0.073124333,-0.009881667,0.03705625,5.870808328,1.37E-14,1.551570772,-1.761242498,-4.067631485,-2.914436992,3.103141545,-0.419343452,1.572537945,31.89032402,-1.08E-13,8.428157061,-9.567097205,-22.09543878,-15.83126799,16.85631412,-2.277880287,8.542051076,4.572916667,-0.982638889,1.973090278,-1.305555556,-2.1015625,-3.23828125,2.859375,-0.619791667,1.12890625,0.001841103,2.08E-06,4.83E-05,-4.07E-04,-3.67E-04,-1.67E-04,5.71E-04,-2.25E-04,6.46E-04,29.42576608,-4.44E-15,4.443891203,-4.413864911,-9.061267649,-6.874254596,10.36907947,-4.203680868,21.01840434,54.71846854,5.33E-15,8.263605454,-8.207770282,-16.84981412,-12.78296996,19.28174606,-7.816924078,39.08462039,0.005764306,9.31E-17,8.71E-04,-8.65E-04,-0.00177504,-0.001346619,0.002031231,-8.23E-04,0.004117361,0.244617014,5.71E-16,0.036942161,-0.036692552,-0.075326509,-0.057145823,0.086198376,-0.034945288,0.174726438,1.328763501,-4.51E-15,0.200670406,-0.199314525,-0.409174792,-0.310417019,0.468230948,-0.189823357,0.949116786,0.190538194,-0.040943287,0.04697834,-0.027199074,-0.038917824,-0.063495711,0.079427083,-0.051649306,0.125434028,0.001129093,0.026245762,-0.220941155,-0.199205224,-0.090533776,0.309949242,-0.122292698,0.351044392,-1.51E-16,0.151020408,-0.15,-0.307936508,-0.233613445,0.352380952,-0.142857143,0.714285714,9.74E-17,0.151020408,-0.15,-0.307936508,-0.233613445,0.352380952,-0.142857143,0.714285714,1.62E-14,0.151020408,-0.15,-0.307936508,-0.233613445,0.352380952,-0.142857143,0.714285714,2.34E-15,0.151020408,-0.15,-0.307936508,-0.233613445,0.352380952,-0.142857143,0.714285714,-3.40E-15,0.151020408,-0.15,-0.307936508,-0.233613445,0.352380952,-0.142857143,0.714285714,-0.214882308,0.246556026,-0.142748671,-0.204252088,-0.333244004,0.416856492,-0.271070615,0.658314351,1.092528721,0.944599508,1.303133184,1.311679442,1.06830243,0.358169934,0.775066023,0.00519054,1.15,0.891836735,1.191071429,1.277777778,1.121008403,0.438095238,0.985714286,0,1.15,0.891836735,1.191071429,1.277777778,1.121008403,0.438095238,0.985714286,0,1.15,0.891836735,1.191071429,1.277777778,1.121008403,0.438095238,0.985714286,0,1.15,0.891836735,1.191071429,1.277777778,1.121008403,0.438095238,0.985714286,0,1.15,0.891836735,1.191071429,1.277777778,1.121008403,0.438095238,0.985714286,0,1.408757277,0.660302997,1.193368767,1.203070953,1.310822279,0.285244242,1.257403189,0,38.61068635,19.30534317,27.38964142,38.61068635,3.861068635,19.30534319,-7.11E-15,0.169678752,0.016967875,-1.773848323,185.1490211,18.51490211,5.22116102,38.61068635,19.30534317,27.38964142,38.61068635,3.861068635,19.30534319,-7.11E-15,0.169678752,0.016967875,-1.773848323,185.1490211,18.51490211,5.22116102,38.61068635,19.30534317,27.38964142,38.61068635,3.861068635,19.30534319,-7.11E-15,0.169678752,0.016967875,-1.773848323,185.1490211,18.51490211,5.22116102,38.61068635,19.30534317,27.38964142,38.61068635,3.861068635,19.30534319,-7.11E-15,0.169678752,0.016967875,-1.773848323,185.1490211,18.51490211,5.22116102,38.61068635,19.30534317,27.38964142,38.61068635,3.861068635,19.30534319,-7.11E-15,0.169678752,0.016967875,-1.773848323,185.1490211,18.51490211,5.22116102,38.61068635,19.30534317,27.38964142,38.61068635,3.861068635,19.30534319,-7.11E-15,0.169678752,0.016967875,-1.773848323,185.1490211,18.51490211,5.22116102,43.83736953,21.69356624,31.3187123,43.79203619,4.379203619,21.69356624,-0.113333333,0.293508879,0.029350888,-1.225847388,71.0223614,7.10223614,4.262994777,0,11.85,12.1501118,-0.208324538,0.091798717,5.644071363,8.915574733,10,24,21,18,4,3,0,0,0,6,15.304898,3.843110289,3.15613707,2.889803706,2.655871051,2.137357965,2.025766193,1.485213476,0.754789267,2.016846438,1.636932938,1.469087897,1.272940197,0.905672091,0.873542463,0.498127709,0.017329647,3.852994976,3.184831064,2.925204077,2.696330965,2.198960701,2.08646271,1.571891795,0.866804758,1.986858889,1.562522364,1.382002879,1.182541621,0.807069153,0.758834173,0.376342835,0.112938471,3.898972176,3.319771688,3.091080596,2.876872127,2.450911295,2.347982156,1.917191242,1.320455266,1.90871805,1.348121825,1.125619322,0.913502481,0.497456888,0.399120886,0.020961885,0.598902364,3.860400354,3.206486181,2.95192418,2.726254732,2.2433739,2.130904131,1.633923174,0.947841594,1.968743129,1.515322503,1.326286016,1.124395548,0.743370267,0.683221643,0.296276126,0.204195858,3.923128016,3.389557344,3.175839308,2.966522976,2.562454758,2.472110681,2.064355685,1.511023517,1.886894218,1.284384934,1.047783838,0.830659232,0.390078926,0.282569317,0.164599501,0.786938712,3.856932922,3.203206889,3.004285908,2.802537619,2.337318824,2.183218591,1.67404049,1.032681497,1.968868569,1.490036953,1.250370548,1.026699931,0.649826522,0.610375385,0.227171758,0.286322768,0,0,0,3,3,3,1,0,0,0,0,0,0.068041382,0.184195286,0,0,0,0.024056261,0.065122868,0.691044062,0,0.11785113,0,0.413066307,0,0.058925565,0,1.409242502,1.947505821,2.068381304,0.759097843,0.949717817,0.856668607,7.560477932,4.736382105,4.063836075,3.133525958,2.334582796,1.39430162,0.830066507,0.144337567,0.756047793,0.473638211,0.312602775,0.208901731,0.145911425,0.087143851,0.075460592,0.048112522,6.939157589,3.798694043,2.783492337,1.878997269,1.242490418,0.600846766,0.345352477,0.051031036,0.693915759,0.379869404,0.214114795,0.125266485,0.077655651,0.037552923,0.03139568,0.017010345,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.30504,43.1,42.42846762,57.795472,84.85693524,8.485693524,42.42846762,0.053496032,0.005349603,-2.928147804,87.75845902,8.775845902,4.474588257,84,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,3,0,0,0,0,0,0,0,0,3,0,1,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.85907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.130763889,0,0.645277778,0,0,1.130763889,0,0,0,0,0,0,0,0,6.495972222,0,1.144953704,0,0,6.62037037,0,0,0,0,4.238703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.356203704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368819444,0,0.285972222,0,0,0.368819444,0,0,0,0,0,0,0,0,2.131388889,0,1.144953704,0,0,2.172453704,0,0,0,0,1.356203704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.234953704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.386597222,0,0.359305556,0,0,0.386597222,0,0,0,0,0,0,0,0,2.19212963,0,1.144953704,0,0,2.234953704,0,0,0,0,1.463518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.5,1.85,0.386597222,2.234953704,0.121944444,1.144953704,6.185359167,0.355046296,0.234953704,2.232685185,0.355046296,0.234953704,2.232685185,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.3,0.3,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.10892,0.71089,12.02929,4.92036,0.49204,2.65706,0.26571,4.73636,2.0793,0.20793,0.17764,0.01776,0.26364,0.02636,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.321695404,3.29248125,3.490601563,3.704986856,3.90726823,23.51685016,55.72068971,79.01955001,83.77443751,88.91968454,93.77443751,0.213713581,0.506371732,0.718104292,0.761315182,0.808073535,0.852191971,3.605093744,2.263267096,1.29248125,1.094360938,0.879975645,0.677694271,0.206076118,0.48827557,0.692441461,0.734108128,0.779195481,0.82173726,6.772325919,18.0677644,22.48567837,23.60136356,24.73344101,24.93730524,37.92632204,26.17699528,19.8948625,18.26591511,16.64285407,16.00802031,8.1,3.408284024,1.991111111,2,6,2,2.56,1.28,0.655185349,4.326341831,3.834843528,0,2.749459274,7.308366373,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.1,0.505,0.68,4.871,13,15,16,16,11,3,1,0,0,95,2.63905733,3.198673118,3.669951444,4.092259056,4.504659004,4.226833745,3.168897455,2.151035195,0,0,5.804946698,3.483552632,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,6,1,2.5,1.333333333,0.6875,0.453333333,0.118055556,0,0,0,0,0,0.25,0.102564103,0.057291667,0.064761905,0.059027778,0,0,0,0,0,0.533645452,24.00245224,34.54275701,48.00490447,4.800490447,24.00245224,0.044527248,0.004452725,-3.111653957,79.31449926,7.931449926,4.373420953,0,150.3504702,4.321928095,3.850147602,4.634728988,5.459585514,6.263398263,7.090909822,7.899153483,8.726643416,9.536112711,10.36334614,83.82402594,3.044522438,0,4.290459441,0,5.752572639,0,7.311218384,0,8.912069098,9.141311786,134.1095504,5.587897935,19.39801301,1.939801301,0,0,0,116,12,3.722,46,1.235345989,2.146048944,3.024812692,3.79503956,4.580498804,5.389465487,6.622885574,7.003494044,0,0,92.61138514,119.6903279,141.6444958,111.899496,64.40388667,44.9505653,43.76375752,7.115998172,0,0,323.1774761,440.049377,570.154322,549.1842699,450.3079016,344.0516171,485.1927336,217.694819,0,0,9.041223086,15.41637707,21.72519902,26.96863582,32.02533085,36.86619385,45.82849614,47.05272261,0,0,2.360044781,3.347743201,4.495727074,4.692887416,4.334227991,3.667979187,5.178276008,3.113843831,0,0,173.6889854,322.8148262,453.6631364,588.6382447,748.8616313,945.5498736,1118.520145,1295.069675,0,0,3.13938262,4.626783148,6.562347623,7.415657403,7.583013265,6.802440772,9.962025577,7.003494044,0,0,0.485982744,0.695623792,0.939578708,0.994522712,0.937089032,0.809585082,1.137649147,0.71715779,0,0,315.6373847,153.0495828,10.46409889,97.52226818,-47.28762554,-4.719488356,218.1151165,200.3372083,15.18358724,0.763959846,0.370436904,0.025327011,0.236040154,-0.114453638,-0.011422917,130.4086323,63.23391249,4.323343463,40.29226647,-19.53733895,-1.949902171,0.128462849,0.126331365,1.886995939,1.140236957,413.1596529,0,1,0,731.2346257,27.04135029,9.00918661,867.4900677,29.45318434,9.537213474,1291.055861,35.93126579,10.88884154,1.579234721,1.493067257,673.2317749,511.4496662,207.7712121,1.316320685,3.240255317,2.461600243,4.410442774,4.389329297,7.686849735,0.751258385,4.149702385,5.585879541,4.095456209,12.29993709,5.539479642,4.924274165,9.316484898,7.454797309,6.743488758,7.070866384,2.19998747,3.523409314,2.350105866,1.77048424,7.09E-05,2.00E-29,1.30E-75,1.68E-143,4.20E-233,0,0,0,0,0,0,0,0,0,0,0,0.348365374,4.824851572,0.304025844,6.697070664,1.759690606,1.377821353,0.994157726,1.084748085,0.963185319,0.400573824,0.098723472,0.17922092,0.193038827,0.012469665,4.99E-07,1.41E-31,9.17E-78,1.18E-145,2.96E-235,0,0,0,0,0,0,0,0,0,0,0,1.124299299,4.87570538,1.006935847,7.553024057,2.124613717,1.895853485,2.546426824,2.203323178,1.822453839,1.350906145,0.375234274,0.52083183,0.625913296,0.129943526,5.20E-06,1.47E-30,9.55E-77,1.23E-144,3.09E-234,0,0,0,0,0,0,0,0,0,0,0,3.916987257,5.502325481,3.838229487,11.85515097,5.164237663,4.634331289,8.755172806,7.00055235,6.276199883,6.517041044,2.017434822,3.198042725,2.215423669,1.577469582,6.32E-05,1.78E-29,1.16E-75,1.50E-143,3.75E-233,0,0,0,0,0,0,0,0,0,0,0,1.656953614,4.941639642,1.510543422,8.226036607,2.495853635,2.312594703,3.655508385,3.025136769,2.507511864,2.125378211,0.610301573,0.856589712,0.925273843,0.282254703,1.13E-05,3.19E-30,2.07E-76,2.68E-144,6.70E-234,0,0,0,0,0,0,0,0,0,0,0,5.011341757,5.937212998,5.076370668,14.06234645,7.092158126,6.080496917,11.45361453,9.209641495,8.602432251,9.286608061,2.937113929,4.865070473,2.851757431,2.58208487,1.03E-04,2.92E-29,1.90E-75,2.45E-143,6.13E-233,0,0,0,0,0,0,0,0,0,0,0,2.343514045,4.543963605,1.948645883,9.036643234,3.104813842,2.837043701,5.0713472,4.013915636,3.547023076,3.206767496,0.848749,1.376494884,1.357405596,0.517307302,2.07E-05,5.85E-30,3.80E-76,4.91E-144,1.23E-233,0,0,0,0,0,0,0,0,0,0,0,5.313814889,2.267557274,0.458131197,0.660963078,0.282051909,0.519943005,0.461855773,0.369983152,8.03950336,15.52264271,29.08234276,0.491444618,1.35178193,3.663101029,1.380783909,0.175037538,0.701888377,0.264572604,0.247371498,0.171934644,0.05365823,5.218922476,5.94082016,12.04507392,0.552832566,0.472964372,4.249320213,1.695780865,0.275632631,0.683089875,0.272601424,0.3327033,0.25889183,0.133481424,6.220733708,8.844579756,17.05149902,0.524634813,0.725076554,5.265161443,2.241428695,0.449793265,0.661753108,0.281714515,0.510476787,0.451313052,0.35659922,7.956383403,15.17789763,28.44250903,0.492629662,1.318389058,4.537814733,1.850765319,0.325109855,0.675904725,0.275670361,0.379334121,0.30816083,0.185913853,6.713689907,10.47542046,19.91952277,0.513857088,0.873408804,5.469240225,2.351023412,0.484765406,0.658545587,0.28308431,0.550766175,0.496346975,0.414390381,8.305029043,16.64930509,31.18759888,0.48781838,1.461503531,5.267318608,2.244895539,0.449539277,0.661577711,0.281959943,0.510898293,0.452754451,0.356223705,7.961753424,15.20161536,28.47898195,0.492366567,1.319876448 +UMLRON0171,L,"1,3-dimethyl-4-ethylbenzene",CCC1=C(C=C(C=C1)C)C,13403,,"Sandia, UML",[1],C10H14,PubChem,,100.6,0,2.4075,5.79605625,48.6502,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2115.628885,2210.453461,1512.335839,669.09965,147.488544,12.192768,0,4670.34144,5841.481647,7996.552878,8852.27832,7855.32205,5075.824267,1955.543519,373.0049332,0,169.463656,175.052008,300.446356,343.950484,384.917308,416.327816,245.856384,80.621568,0,34.11358067,43.47862034,61.85917094,69.87829961,67.84529414,50.76435923,22.69537863,5.335354858,0,3856.790689,3411.659229,6406.831556,7261.976634,8275.090861,10056.7545,6339.08443,2219.011824,0,48.58333333,59.38888889,86.11111111,100.6666667,107.6666667,92,46,12,0,60.70275442,67.17251842,50.37211631,46.05111377,28.00621924,11.15166083,4.096904,1.016064,0,194.59756,243.3950686,190.3941161,184.422465,145.4689269,84.59707111,54.3206533,31.08374443,0,7.060985667,7.293833667,7.153484667,7.165635083,7.128098296,6.938796933,6.829344,6.718464,0,1.421399194,1.811609181,1.472837403,1.455797909,1.256394336,0.846072654,0.630427184,0.444612905,0,160.6996121,142.1524679,152.5436085,151.2911799,153.2424234,167.6125751,176.0856786,184.917652,0,2.024305556,2.474537037,2.05026455,2.097222222,1.99382716,1.533333333,1.277777778,1,0,0.044218389,-3.50E-04,2.04E-04,-0.007306453,-0.035782249,-0.002752419,0.013726223,0.010151986,0,706.2183858,-7.82E-14,186.6434305,-90.79950675,-791.9734755,-161.4213453,252.2208521,252.2208521,0,1313.243245,2.42E-13,347.0714291,-168.8455601,-1472.708496,-300.1698846,469.0154447,469.0154447,0,0.138343333,2.23E-15,0.036562167,-0.017787,-0.155142167,-0.031621333,0.049408333,0.049408333,0,5.870808328,1.35E-14,1.551570772,-0.754818214,-6.583692197,-1.341899046,2.09671726,2.09671726,0,31.89032402,-1.08E-13,8.428157061,-4.100184516,-35.7627205,-7.289216918,11.38940143,11.38940143,0,4.572916667,-0.871527778,1.306423611,0.458333333,-4.559895833,-1.098958333,0.973958333,1.505208333,0,0.001842433,-1.46E-05,4.86E-06,-1.52E-04,-6.63E-04,-4.59E-05,3.81E-04,8.46E-04,0,29.42576608,-3.26E-15,4.443891203,-1.891656391,-14.66617547,-2.690355756,7.00613478,21.01840434,0,54.71846854,1.01E-14,8.263605454,-3.517615835,-27.27237956,-5.00283141,13.0282068,39.08462039,0,0.005764306,9.31E-17,8.71E-04,-3.71E-04,-0.002873003,-5.27E-04,0.001372454,0.004117361,0,0.244617014,5.62E-16,0.036942161,-0.015725379,-0.121920226,-0.022364984,0.058242146,0.174726438,0,1.328763501,-4.51E-15,0.200670406,-0.085420511,-0.662272602,-0.121486949,0.316372262,0.949116786,0,0.190538194,-0.036313657,0.031105324,0.009548611,-0.084442515,-0.018315972,0.027054398,0.125434028,0,-0.007920239,0.002635454,-0.082617814,-0.359651768,-0.024898408,0.206945929,0.459174857,0,-1.11E-16,0.151020408,-0.064285714,-0.498412698,-0.091428571,0.238095238,0.714285714,0,1.84E-16,0.151020408,-0.064285714,-0.498412698,-0.091428571,0.238095238,0.714285714,0,1.62E-14,0.151020408,-0.064285714,-0.498412698,-0.091428571,0.238095238,0.714285714,0,2.30E-15,0.151020408,-0.064285714,-0.498412698,-0.091428571,0.238095238,0.714285714,0,-3.40E-15,0.151020408,-0.064285714,-0.498412698,-0.091428571,0.238095238,0.714285714,0,-0.190584662,0.16324981,0.050113895,-0.443178942,-0.096127563,0.14198937,0.658314351,0,1.102374338,0.958423635,1.133180018,1.400743548,0.934437635,0.61034231,0.10148746,0,1.15,0.891836735,1.108928571,1.496825397,0.952857143,0.547619048,0,0,1.15,0.891836735,1.108928571,1.496825397,0.952857143,0.547619048,0,0,1.15,0.891836735,1.108928571,1.496825397,0.952857143,0.547619048,0,0,1.15,0.891836735,1.108928571,1.496825397,0.952857143,0.547619048,0,0,1.15,0.891836735,1.108928571,1.496825397,0.952857143,0.547619048,0,0,1.385472032,0.740138121,0.908124525,1.513540876,1.019893698,0.698557327,0,0,37.57627844,18.78813922,26.10202704,37.57627844,3.757627844,18.78813925,1.07E-14,0.22455578,0.022455578,-1.493631141,72.08522069,7.208522069,4.27784904,37.57627844,18.78813922,26.10202704,37.57627844,3.757627844,18.78813925,1.07E-14,0.22455578,0.022455578,-1.493631141,72.08522069,7.208522069,4.27784904,37.57627844,18.78813922,26.10202704,37.57627844,3.757627844,18.78813925,1.07E-14,0.22455578,0.022455578,-1.493631141,72.08522069,7.208522069,4.27784904,37.57627844,18.78813922,26.10202704,37.57627844,3.757627844,18.78813925,1.07E-14,0.22455578,0.022455578,-1.493631141,72.08522069,7.208522069,4.27784904,37.57627844,18.78813922,26.10202704,37.57627844,3.757627844,18.78813925,1.07E-14,0.22455578,0.022455578,-1.493631141,72.08522069,7.208522069,4.27784904,37.57627844,18.78813922,26.10202704,37.57627844,3.757627844,18.78813925,1.07E-14,0.22455578,0.022455578,-1.493631141,72.08522069,7.208522069,4.27784904,43.04654935,21.29036599,30.16512613,42.97854935,4.297854935,21.29036599,-0.113333333,0.312372917,0.031237292,-1.163557557,135.7755739,13.57755739,4.911003331,0,11.89,12.11015511,-0.151818315,0.068387272,5.683369143,9.07776985,10,24,21,18,4,3,0,0,0,6,15.304898,3.846909094,3.122321072,2.901283259,2.685768631,2.235992105,1.865611891,1.520085449,0.758188477,2.018342845,1.628483208,1.412168643,1.374673045,0.956722904,0.730061973,0.478578581,0.18055894,3.856567764,3.153653141,2.930387218,2.73345402,2.288732,1.930033774,1.607005634,0.882486871,1.988558705,1.552065998,1.328639714,1.28185799,0.855501593,0.614890614,0.374240312,0.027830468,3.901677691,3.298653164,3.069237245,2.944671006,2.510686195,2.201124824,1.950192324,1.383849734,1.911274392,1.328676326,1.098854039,0.986669735,0.553343016,0.253165905,0.010313113,0.526479178,3.863813591,3.177177186,2.952442721,2.768740361,2.327027905,1.976817518,1.669142988,0.972127981,1.970595084,1.503347105,1.276975946,1.220212938,0.790795188,0.539291381,0.304303192,0.078493661,3.925483248,3.37232118,3.142427368,3.046746776,2.614061708,2.327095565,2.091983333,1.596539596,1.889800388,1.260978004,1.0324903,0.891167222,0.455857466,0.134181728,0.130213509,0.735057644,3.857125986,3.178317422,3.018164765,2.839225263,2.398182705,2.036457725,1.701424413,1.085330102,1.975684696,1.475730199,1.185583669,1.126769558,0.716555442,0.456139888,0.258538688,0.197008156,0,0,0,3,3,3,1,0,0,0,0,0,0.068041382,0.184195286,0,0,0,0.024056261,0.065122868,0.594819017,0,0.232307808,0,0.37139964,0,0.12319982,0,1.686559579,2.180576515,2.49969678,0.971646346,1.105708272,1.102459419,7.560477932,4.753218858,3.935632246,3.399896793,2.268323312,1.386046817,0.60309862,0.295712282,0.756047793,0.475321886,0.302740942,0.21249355,0.141770207,0.092403121,0.067010958,0.059142456,6.939157589,3.804677108,2.712587923,2.097713139,1.194875001,0.60128604,0.2277499,0.109107988,0.693915759,0.380467711,0.208660609,0.131107071,0.074679688,0.040085736,0.025305544,0.021821598,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.30504,43.1,43.00395044,58.45756684,86.00790087,8.600790087,43.00395044,0.035158925,0.003515892,-3.347876783,60.64279888,6.064279888,4.105000896,78,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,3,0,0,0,0,0,0,0,0,3,0,1,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.80759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.169375,0,0.645277778,0,0,1.169375,0,0,0,0,0,0,0,0,6.546064815,0,1.146342593,0,0,6.48412037,0,0,0,0,4.323472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.402175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.285972222,0,0,0.380972222,0,0,0,0,0,0,0,0,2.161203704,0,1.146342593,0,0,2.126157407,0,0,0,0,1.402175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.196759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.39875,0,0.359305556,0,0,0.39875,0,0,0,0,0,0,0,0,2.196203704,0,1.146342593,0,0,2.196759259,0,0,0,0,1.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.5,1.85,0.39875,2.196759259,0.116319444,1.146342593,6.183883565,0.353657407,0.196759259,2.06037037,0.353657407,0.196759259,2.06037037,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.3,0.3,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.24564,0.72456,12.12433,4.87869,0.48787,2.65798,0.2658,4.7532,2.09522,0.20952,0.1608,0.01608,0.2468,0.02468,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.321695404,3.209147917,3.490601563,3.704986856,3.90726823,23.51685016,55.72068971,77.01955001,83.77443751,88.91968454,93.77443751,0.213713581,0.506371732,0.699928934,0.761315182,0.808073535,0.852191971,3.605093744,2.263267096,1.375814584,1.094360938,0.879975645,0.677694271,0.206076118,0.48827557,0.674915635,0.734108128,0.779195481,0.82173726,6.772325919,18.0677644,21.48567837,23.60136356,24.73344101,24.93730524,37.92632204,26.17699528,21.18734375,18.26591511,16.64285407,16.00802031,8.1,3.408284024,1.75,2,6,2,2.56,1.28,0.766309432,3.947850755,4.441492163,0,3.14734519,6.233208625,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.1,0.505,0.68,4.871,13,16,16,15,9,5,1,0,0,95,2.63905733,3.198673118,3.70745584,4.092259056,4.453620288,4.123093976,3.595598464,2.151035195,0,0,5.813664005,3.514144737,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,5,0.666666667,2,1.555555556,0.8125,0.453333333,0.0625,0,0,0,0,0,0.2,0.11965812,0.0625,0.064761905,0.03125,0,0,0,0,0,0.478170024,23.2906377,32.53527811,46.5812754,4.65812754,23.2906377,0.089622164,0.008962216,-2.412152624,63.30068695,6.330068695,4.147896181,0,150.3504702,4.321928095,3.850147602,4.65396035,5.476463552,6.29710932,7.123672785,7.947678571,8.774776816,9.599608345,10.42670607,84.15012341,3.044522438,0,4.290459441,0,5.771441123,0,7.353081921,0,8.976009475,9.199582715,134.1095504,5.587897935,19.39843663,1.939843663,0,0,0,113,13,3.722,46,1.235345989,2.146135604,3.021156414,3.803120662,4.36460615,5.104093343,5.90603021,0,0,0,92.61138514,119.5397752,148.5341309,113.7079805,53.28665254,22.05869529,6.000904679,0,0,0,323.1774761,439.7051078,583.0372299,573.5953672,387.6550163,285.9142025,183.5815336,0,0,0,9.041223086,15.41650878,21.70310647,27.15436997,30.34801161,34.89891572,39.67945135,0,0,0,2.360044781,3.345917844,4.553035496,4.901884329,3.821188864,3.286981162,2.625897248,0,0,0,173.6889854,322.8582978,453.2070571,579.5496751,726.7281256,895.4675376,1092.129239,0,0,0,3.146905573,4.581306719,6.510139176,7.719595575,6.83990388,6.625378464,5.90603021,0,0,0,0.485982744,0.69527464,0.950073198,1.037942308,0.830038035,0.731987991,0.604777493,0,0,0,279.556324,135.4216736,10.04354901,95.25796527,-46.1445225,-4.813389441,184.2983587,181.5661961,14.85693845,0.745852898,0.361303391,0.026796068,0.254147102,-0.123113029,-0.012842065,104.7817049,50.75797834,3.764465683,35.70404655,-17.2956264,-1.804127142,0.128065664,0.12645479,3.221206057,1.189072955,374.8142892,0,1,0,731.2346257,27.04135029,9.00918661,867.4900677,29.45318434,9.537213474,1315.04327,36.26352534,10.95586522,1.387093022,1.357998571,604.7932063,399.2513316,251.7382182,1.514818257,2.402468766,1.585978221,4.292303775,4.001863032,7.138102735,0.783694914,4.149702385,4.819683419,5.047006734,11.05145909,5.025513188,8.294133102,9.58297962,7.884516866,6.529622484,6.232127622,3.27706189,2.512684418,0.14850832,2.05E-06,5.47E-33,2.81E-81,2.78E-151,5.32E-243,0,0,0,0,0,0,0,0,0,0,0,0,0.348365374,4.81945519,0.295275059,6.264101433,1.87008095,1.421921308,0.8241989,1.039439243,0.829609567,0.3567048,0.091389002,0.017890989,0.001045956,1.44E-08,3.85E-35,1.98E-83,1.96E-153,3.75E-245,0,0,0,0,0,0,0,0,0,0,0,0,1.124299299,4.81947092,1.037073486,6.93150975,2.219822624,2.285679377,2.503181731,2.110183914,1.700561732,1.25703606,0.416015258,0.184915109,0.01089967,1.51E-07,4.01E-34,2.06E-82,2.04E-152,3.91E-244,0,0,0,0,0,0,0,0,0,0,0,0,3.916987257,4.819658531,4.675403825,10.64878582,4.72820885,7.682738445,9.008258372,7.349967742,6.077180112,5.766673544,2.966837519,2.238890124,0.132318239,1.83E-06,4.87E-33,2.50E-81,2.48E-151,4.74E-243,0,0,0,0,0,0,0,0,0,0,0,0,1.656953614,4.81949088,1.614031759,7.481648723,2.547307725,3.038664509,3.688076876,2.94215571,2.385304862,1.963854973,0.73554952,0.401183066,0.023675541,3.27E-07,8.71E-34,4.48E-82,4.44E-152,8.49E-244,0,0,0,0,0,0,0,0,0,0,0,0,5.011341757,4.819787963,6.514519854,12.66681344,6.244530308,10.7743583,11.75464457,9.994851399,8.322319957,8.075582675,4.556483776,3.663881474,0.216585427,2.99E-06,7.97E-33,4.10E-81,4.06E-151,7.77E-243,0,0,0,0,0,0,0,0,0,0,0,0,2.343512132,4.36129512,2.266220534,7.962402735,3.138028584,3.932013649,5.060873701,4.118933231,3.141905156,3.000881439,1.216915736,0.734903477,0.043391766,5.99E-07,1.60E-33,8.21E-82,8.14E-152,1.56E-243,0,0,0,0,0,0,0,0,0,0,0,0,4.096043654,2.543388461,0.465339841,0.576520074,0.357983124,0.542546547,0.459696818,0.363943464,7.104771956,13.50742245,25.46002584,0.401754797,1.366186829,2.836066198,1.763837124,0.17355243,0.594132709,0.369509474,0.267875199,0.230248481,0.050050399,4.773455752,5.800683246,11.44231053,0.445463275,0.548174079,3.277970065,2.046237998,0.277282359,0.585196049,0.365302418,0.35204035,0.305490742,0.128452541,5.601490422,8.183815875,15.64517963,0.425747702,0.785983632,4.058349056,2.5209702,0.45675093,0.576792009,0.358292361,0.532777647,0.45212272,0.350561536,7.036070185,13.23608722,24.94516567,0.402626555,1.335461902,3.49807259,2.182583274,0.328281399,0.582144968,0.363222843,0.398860621,0.344958816,0.180409408,6.008937264,9.499688383,18.01499987,0.418051716,0.924228844,4.216609661,2.614855162,0.492774098,0.575706187,0.357013908,0.574434285,0.484242049,0.408372101,7.324238922,14.39219246,27.14967164,0.399080143,1.467048435,4.059654857,2.526793035,0.456475823,0.576416134,0.358770468,0.533182892,0.454472586,0.350343899,7.042923715,13.26446184,24.98987237,0.402779902,1.337999378 +UMLRON0172,L,"1,2-dimethyl-3-ethylbenzene",CCC1=CC=CC(=C1C)C,13621,Sandia values from independent API report ,Sandia,,C10H14,PubChem,,100.4,0,2.4075,5.79605625,48.6502,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2115.628885,1968.321443,1500.30956,838.422651,223.179264,21.337344,0,4670.34144,5841.481647,7996.552878,8402.023493,7076.615,5243.361512,2737.21445,652.758633,0,169.463656,175.052008,300.446356,343.903052,380.151008,297.814188,308.717568,141.087744,0,34.11358067,43.47862034,61.85917094,67.86545104,60.82454156,47.78133966,30.7104832,9.336871002,0,3856.790689,3411.659229,6406.831556,7251.042808,8662.099025,6542.933055,7812.572672,3883.270693,0,48.58333333,59.16666667,87.5,102.3333333,94.33333333,78.5,61,21,0,60.70275442,67.17251842,50.37211631,41.00669673,27.78351037,19.96244407,4.9595392,1.016064,0,194.59756,243.3950686,190.3941161,175.0421561,131.0484259,124.8419408,60.82698779,31.08374443,0,7.060985667,7.293833667,7.153484667,7.164646917,7.039833481,7.090814,6.8603904,6.718464,0,1.421399194,1.811609181,1.472837403,1.413863563,1.126380399,1.137650944,0.682455182,0.444612905,0,160.6996121,142.1524679,152.5436085,151.0633918,160.4092412,155.7841204,173.612726,184.917652,0,2.024305556,2.465277778,2.083333333,2.131944444,1.74691358,1.869047619,1.355555556,1,0,0.044177339,4.58E-04,0.003376148,-0.033194634,0.00943025,-0.026188679,0.008045283,0.015984739,0,706.2183858,-1.07E-13,186.6434305,-332.9315248,-65.57742154,-721.351637,138.7214686,441.3864911,0,1313.243245,1.85E-13,347.0714291,-619.100387,-121.9440156,-1341.384172,257.9584946,820.7770282,0,0.138343333,2.23E-15,0.036562167,-0.065219,-0.012846167,-0.141307833,0.027174583,0.086464583,0,5.870808328,1.35E-14,1.551570772,-2.767666783,-0.545146488,-5.996611364,1.153194493,3.669255205,0,31.89032402,-1.08E-13,8.428157061,-15.03400989,-2.961244373,-32.5736881,6.264170789,19.93145251,0,4.572916667,-1.09375,2.6953125,-3.291666667,0.388020833,-3.596354167,-0.022135417,2.634114583,0,0.001840722,1.91E-05,8.04E-05,-6.92E-04,1.75E-04,-6.24E-04,1.79E-04,7.61E-04,0,29.42576608,-4.44E-15,4.443891203,-6.936073432,-1.214396695,-17.17503898,3.082699303,21.01840434,0,54.71846854,7.70E-15,8.263605454,-12.89792473,-2.258222511,-31.93771837,5.73241099,39.08462039,0,0.005764306,9.31E-17,8.71E-04,-0.001358729,-2.38E-04,-0.003364472,6.04E-04,0.004117361,0,0.244617014,5.62E-16,0.036942161,-0.057659725,-0.010095305,-0.142776461,0.025626544,0.174726438,0,1.328763501,-4.51E-15,0.200670406,-0.313208539,-0.054837859,-0.775564002,0.139203795,0.949116786,0,0.190538194,-0.045572917,0.064174107,-0.068576389,0.007185571,-0.08562748,-4.92E-04,0.125434028,0,0.010372383,0.043670066,-0.375697529,0.094872677,-0.33874742,0.097127118,0.413521343,0,-1.51E-16,0.151020408,-0.235714286,-0.041269841,-0.583673469,0.104761905,0.714285714,0,1.41E-16,0.151020408,-0.235714286,-0.041269841,-0.583673469,0.104761905,0.714285714,0,1.62E-14,0.151020408,-0.235714286,-0.041269841,-0.583673469,0.104761905,0.714285714,0,2.30E-15,0.151020408,-0.235714286,-0.041269841,-0.583673469,0.104761905,0.714285714,0,-3.40E-15,0.151020408,-0.235714286,-0.041269841,-0.583673469,0.104761905,0.714285714,0,-0.239179954,0.336804426,-0.359908884,0.037711972,-0.449397982,-0.002581625,0.658314351,0,1.082672436,0.935907449,1.47885774,1.065173967,1.216068989,0.663273956,0.06099797,0,1.15,0.891836735,1.273214286,0.985714286,1.548979592,0.700952381,0,0,1.15,0.891836735,1.273214286,0.985714286,1.548979592,0.700952381,0,0,1.15,0.891836735,1.273214286,0.985714286,1.548979592,0.700952381,0,0,1.15,0.891836735,1.273214286,0.985714286,1.548979592,0.700952381,0,0,1.15,0.891836735,1.273214286,0.985714286,1.548979592,0.700952381,0,0,1.432042521,0.573814947,1.501898254,0.811102674,1.461980692,0.894153379,0,0,38.53025099,19.2651255,26.8881896,38.53025099,3.853025099,19.26512552,-1.78E-14,0.216181165,0.021618117,-1.531638495,125.1290739,12.51290739,4.829345796,38.53025099,19.2651255,26.8881896,38.53025099,3.853025099,19.26512552,-1.78E-14,0.216181165,0.021618117,-1.531638495,125.1290739,12.51290739,4.829345796,38.53025099,19.2651255,26.8881896,38.53025099,3.853025099,19.26512552,-1.78E-14,0.216181165,0.021618117,-1.531638495,125.1290739,12.51290739,4.829345796,38.53025099,19.2651255,26.8881896,38.53025099,3.853025099,19.26512552,-1.78E-14,0.216181165,0.021618117,-1.531638495,125.1290739,12.51290739,4.829345796,38.53025099,19.2651255,26.8881896,38.53025099,3.853025099,19.26512552,-1.78E-14,0.216181165,0.021618117,-1.531638495,125.1290739,12.51290739,4.829345796,38.53025099,19.2651255,26.8881896,38.53025099,3.853025099,19.26512552,-1.78E-14,0.216181165,0.021618117,-1.531638495,125.1290739,12.51290739,4.829345796,42.67594717,21.28130692,30.24889862,42.58528051,4.258528051,21.28130692,-0.113333333,0.332127974,0.033212797,-1.10223492,74.59299727,7.459299727,4.312046632,0,11.89,12.11015511,-0.154936059,0.065451967,5.604774866,8.758384842,10,24,21,18,4,3,0,0,0,6,15.304898,3.840718655,3.138562425,2.978981869,2.548678893,2.133049839,2.024738679,1.606083482,0.441365589,2.015819743,1.637997224,1.493916978,1.228362559,0.914674848,0.783323018,0.696858794,0.083923071,3.850737835,3.169462254,3.0085188,2.593942196,2.194050957,2.082600027,1.696155252,0.545672476,1.985714418,1.56243022,1.412300855,1.132231268,0.810867055,0.682662645,0.568593834,0.270913902,3.897231429,3.31237007,3.149926772,2.797001194,2.444624277,2.324156623,2.064841634,0.963720007,1.907066126,1.341962329,1.180117151,0.837979593,0.491405199,0.369849397,0.132554171,0.943918427,3.858238178,3.192653601,3.030937363,2.627548685,2.238049652,2.124567978,1.761188079,0.621114151,1.967509294,1.514295407,1.360731895,1.069711602,0.743896014,0.617333107,0.482073153,0.399277246,3.921595778,3.384992436,3.224500232,2.896957888,2.557189734,2.434292052,2.226558792,1.207644823,1.885033972,1.275241337,1.11246322,0.745099247,0.383805062,0.264988018,0.023976977,1.133948601,3.856851715,3.188647246,3.074486071,2.697515362,2.324415891,2.211911445,1.808222707,0.671528041,1.963725304,1.491148219,1.289379225,0.978395834,0.660080924,0.524402188,0.399287259,0.540540541,0,0,0,3,3,3,1,0,0,0,0,0,0.068041382,0.184195286,0,0,0,0.024056261,0.065122868,0.781474414,0,0,0,0.451184464,0,0,0,1.106493072,1.939002773,2.123985745,0.569035594,0.893507645,0.881573481,7.560477932,4.719545353,4.191723906,2.853492644,2.446966379,1.498266827,0.736781144,0.232307808,0.756047793,0.471954535,0.3224403,0.203820903,0.143939199,0.093641677,0.066980104,0.058076952,6.939157589,3.792710979,2.849514921,1.689722705,1.273107889,0.691905074,0.289763533,0.092946256,0.693915759,0.379271098,0.219193455,0.120694479,0.074888699,0.043244067,0.026342139,0.023236564,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.30504,43.1,42.39970848,56.88146748,84.79941695,8.479941695,42.39970848,0.028487176,0.002848718,-3.558301252,41.38118518,4.138118518,3.722826313,82,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,3,0,0,0,0,0,0,0,0,3,0,1,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.87990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.115138889,0,0.645277778,0,0,1.115138889,0,0,0,0,0,0,0,0,6.478703704,0,1.141388889,0,0,6.693611111,0,0,0,0,4.186296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.372083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368819444,0,0.285972222,0,0,0.368819444,0,0,0,0,0,0,0,0,2.145,0,1.141388889,0,0,2.2075,0,0,0,0,1.372083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.243055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.3775,0,0.359305556,0,0,0.3775,0,0,0,0,0,0,0,0,2.188703704,0,1.141388889,0,0,2.243055556,0,0,0,0,1.44212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.5,1.85,0.3775,2.243055556,0.128472222,1.141388889,6.187598426,0.358611111,0.243055556,2.34462963,0.358611111,0.243055556,2.34462963,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.3,0.3,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.0737,0.70737,12.00622,4.93252,0.49325,2.65615,0.26561,4.71953,2.06338,0.20634,0.19447,0.01945,0.28047,0.02805,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.321695404,3.094360938,3.094360938,3.022055209,3.136842188,23.51685016,55.72068971,74.26466251,74.26466251,72.52932501,75.28421252,0.213713581,0.506371732,0.674893401,0.674893401,0.659123212,0.684158745,3.605093744,2.263267096,1.490601563,1.490601563,1.562907292,1.448120313,0.206076118,0.48827557,0.650774795,0.650774795,0.635568183,0.659709023,6.772325919,18.0677644,20.10823462,20.10823462,20.95137768,21.41280685,37.92632204,26.17699528,23.20614063,23.20614063,22.20626615,21.26453698,8.1,3.408284024,2.285714286,2,6,2,2.56,1.28,0.646330407,4.369015052,3.75793905,0,2.672696154,7.592428719,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.1,0.505,0.68,4.871,13,14,17,16,11,4,0,0,0,95,2.63905733,3.198673118,3.630985476,4.141148628,4.47946523,4.274928499,3.270044111,0,0,0,5.797576354,3.457894737,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,5,0.666666667,3,0.666666667,0.9375,0.533333333,0.0625,0,0,0,0,0,0.3,0.051282051,0.085227273,0.066666667,0.020833333,0,0,0,0,0,0.524009324,23.93687696,33.60373194,47.87375392,4.787375392,23.93687696,0.095067747,0.009506775,-2.353165513,55.90993035,5.590993035,4.023742009,0,150.3504702,4.321928095,3.850147602,4.615120517,5.451038454,6.232448017,7.072421901,7.857480787,8.697679732,9.483796737,10.32380843,83.58394218,3.044522438,0,4.290459441,0,5.733341277,0,7.273092596,0,8.859505485,9.092794808,134.1095504,5.587897935,19.39835886,1.939835886,0,0,0,116,11,3.722,46,1.235345989,2.14613564,3.023126316,3.779920527,4.876526301,5.728721045,6.155417697,0,0,0,92.61138514,119.5401995,134.3217597,121.7157255,103.4833925,28.42004432,6.254298327,0,0,0,323.1774761,439.7061021,555.8282805,545.62004,633.1483088,348.5229018,191.3334306,0,0,0,9.041223086,15.41651039,21.70827874,26.73434175,34.66126722,39.30155898,41.3549522,0,0,0,2.360044781,3.345923256,4.428079475,4.57229361,5.717227159,3.910091603,2.736778143,0,0,0,173.6889854,322.8582189,453.3588213,597.2397873,753.3303681,994.5552906,1138.245388,0,0,0,3.134646353,4.672086852,6.579956763,6.913580702,9.323347777,7.766341476,6.155417697,0,0,0,0.485982744,0.695275682,0.926961632,0.967067063,1.220991452,0.866997606,0.630314772,0,0,0,305.9258055,148.4809892,9.898484912,94.31450573,-45.77551436,-4.478760963,211.6112998,194.2565035,14.37724588,0.764355306,0.370979597,0.024731354,0.235644694,-0.114370075,-0.01119018,122.4438396,59.42807732,3.961772682,37.74846713,-18.32120612,-1.792580682,0.128342421,0.126228683,2.379247276,1.210765169,400.2403112,0,1,0,731.2346257,27.04135029,9.00918661,867.4900677,29.45318434,9.537213474,1278.362498,35.75419553,10.85303842,1.289121589,1.128137663,696.9601114,448.1010743,293.3166241,1.555363625,2.376135732,1.527704322,4.595966024,4.42147441,7.506148996,0.697657455,4.149702385,4.819679965,3.89331814,10.78344827,4.169526954,6.375796091,8.004612866,4.974914214,8.875657838,8.194650102,5.332366792,5.354714464,1.178379301,0.996384899,2.56E-11,1.27E-43,1.21E-97,2.23E-173,7.93E-271,0,0,0,0,0,0,0,0,0,0,0,0.348365374,4.819455166,0.286995614,6.287949388,0.977118733,1.291438459,0.680281608,0.94370908,2.7376119,0.443647863,0.157492392,0.059556956,0.008712217,0.00701762,1.80E-13,8.93E-46,8.53E-100,1.57E-175,5.59E-273,0,0,0,0,0,0,0,0,0,0,0,1.124299299,4.819470666,0.952003814,6.977416751,1.305948088,1.844392683,2.046140839,1.703335586,3.829438596,1.588830397,0.654647421,0.449125317,0.087546925,0.073129014,1.88E-12,9.30E-45,8.89E-99,1.64E-174,5.82E-272,0,0,0,0,0,0,0,0,0,0,0,3.916987257,4.819655453,3.647382073,10.42752167,3.859890801,5.893003862,7.510518377,4.705758609,8.442906529,7.565556523,4.817756946,4.785994566,1.050198976,0.887761007,2.28E-11,1.13E-43,1.08E-97,1.99E-173,7.07E-271,0,0,0,0,0,0,0,0,0,0,0,1.656953614,4.819490329,1.429627832,7.518459848,1.627527872,2.367946827,3.022120436,2.243569191,4.626771184,2.504705448,1.161951129,0.921808959,0.189147826,0.158845991,4.08E-12,2.02E-44,1.93E-98,3.56E-174,1.27E-271,0,0,0,0,0,0,0,0,0,0,0,5.011341757,4.819782925,4.832475517,12.19293052,5.445634887,8.358119538,9.885916029,5.996873584,10.54264281,10.6994176,7.462331259,7.738101132,1.71720904,1.453133734,3.73E-11,1.85E-43,1.77E-97,3.26E-173,1.16E-270,0,0,0,0,0,0,0,0,0,0,0,2.343510226,4.358314823,1.790880133,8.524775905,2.256917466,3.278105926,3.891869209,2.733705433,5.440955736,3.704622516,1.933654686,1.647578101,0.345872506,0.291127801,7.48E-12,3.70E-44,3.54E-98,6.52E-174,2.32E-271,0,0,0,0,0,0,0,0,0,0,0,4.684819699,3.18971374,0.450096814,0.5627661,0.383165816,0.562868157,0.463736043,0.353651064,8.324630253,18.48753617,33.53806833,0.418897873,1.380255264,3.185799007,2.021365549,0.168971125,0.592581586,0.375988567,0.261781367,0.18691238,0.049825164,5.376135681,7.319524812,13.78377783,0.452855229,0.498518912,3.718060163,2.436489092,0.26882992,0.578832428,0.379315782,0.355693694,0.271183402,0.126146084,6.423379175,10.71354002,19.57225294,0.437222314,0.753023179,4.640627769,3.155299826,0.441813201,0.563337435,0.383029753,0.552368417,0.453825561,0.340753542,8.237740796,18.08691572,32.79393812,0.419550782,1.34694752,3.980039392,2.640688807,0.317962799,0.573600899,0.380574493,0.407172679,0.318337757,0.176479629,6.938690998,12.61519074,22.89568521,0.431263087,0.901990066,4.825995574,3.29964353,0.476558455,0.561018919,0.383581464,0.597071492,0.496106877,0.396455961,8.602197558,19.79640709,35.98735249,0.416900574,1.48963433,4.641436223,3.158941445,0.441421612,0.563158124,0.383282987,0.552363753,0.45477516,0.340128505,8.24179928,18.10528054,32.81921464,0.419661667,1.347267419 +UMLRON0173,L,"1,3-dimethyl-5-ethylbenzene",CCC1=CC(=CC(=C1)C)C,13627,Sandia values from independent api report ,Sandia,,C10H14,PubChem,,102.7,0,-0.7283,0.53042089,26.0355,19.363516,0,0,19,7,12,0,6,0,1,0,0,0,0,0,0,0,1133.745495,1250.933639,1748.286641,970.478884,379.464793,90.93168,9.144576,0,0,3130.497121,4099.882909,5806.458828,5014.63543,3017.199652,1247.927098,279.7536999,0,0,139.21638,143.181932,278.64554,347.049616,249.87178,163.638144,60.466176,0,0,22.71195886,29.98571172,43.97209679,42.77165811,30.39111696,14.68429815,4.001516144,0,0,3165.229247,2778.12901,5853.260723,7704.073178,6026.600299,4247.253023,1664.258868,0,0,40.30555556,41.58333333,77.61111111,88.33333333,50,30,9,0,0,59.67081553,65.83861258,47.2509903,21.09736704,10.54068869,3.78882,1.016064,0,0,164.7630063,215.783311,156.9313197,109.0138137,83.81110144,51.99696242,31.08374443,0,0,7.327177895,7.535891158,7.530960541,7.54455687,6.940882778,6.818256,6.718464,0,0,1.195366256,1.578195354,1.188435048,0.929818655,0.844197693,0.611845756,0.444612905,0,0,166.591013,146.2173163,158.1962357,167.4798517,167.4055639,176.9688759,184.917652,0,0,2.121345029,2.188596491,2.097597598,1.920289855,1.388888889,1.25,1,0,0,0.165298351,-0.050337219,0.015175343,-0.082217834,0.01665283,0.012194843,0.005882862,0,0,605.7336044,26.87660126,53.0162135,-538.4146738,-162.7608036,154.8088722,163.6069882,0,0,916.6964704,-57.43271798,-110.1828243,-359.2832208,-360.451527,183.8632426,245.1388123,0,0,1.062550737,0.044922105,-0.004122593,-0.93114431,0.095101972,0.165635701,0.098331756,0,0,4.063287563,-0.589622532,-1.204566866,-0.034686677,-1.715487269,0.568411578,0.944307985,0,0,22.47243353,-3.774319208,-7.814252053,2.196808705,-9.44115416,2.703813462,4.892886488,0,0,6.970760234,-1.464912281,2.564250539,-6.686518929,0.572945522,0.58079409,0.948060942,0,0,0.008699913,-0.002649327,4.10E-04,-0.001787344,4.63E-04,5.08E-04,6.54E-04,0,0,31.88071602,1.414557961,1.432870635,-11.70466682,-4.521133433,6.450369675,18.17855424,0,0,48.24718265,-3.022774631,-2.977914172,-7.8105048,-10.01254242,7.660968442,27.23764581,0,0,0.055923723,0.002364321,-1.11E-04,-0.020242268,0.002641721,0.006901488,0.010925751,0,0,0.21385724,-0.031032765,-0.032555861,-7.54E-04,-0.047652424,0.023683816,0.104923109,0,0,1.18275966,-0.198648379,-0.211196001,0.047756711,-0.262254282,0.112658894,0.543654054,0,0,0.366882118,-0.077100646,0.069304069,-0.145359107,0.015915153,0.024199754,0.105340105,0,0,-0.304523422,0.047143505,-0.205443914,0.053170485,0.058405003,0.075133091,0,0,0.044370332,0.044944744,-0.367139396,-0.141814049,0.202328256,0.570205331,0,0,-0.062651837,-0.061722032,-0.1618852,-0.20752595,0.15878582,0.564543758,0,0,0.04227761,-0.001992382,-0.361962089,0.04723794,0.123408943,0.195368801,0,0,-0.145109723,-0.152231747,-0.003525989,-0.222823525,0.110745915,0.490622199,0,0,-0.167953293,-0.17856206,0.040377359,-0.221730831,0.095250876,0.459648797,0,0,-0.210151007,0.1889001,-0.396201123,0.043379474,0.06596057,0.287122483,0,0,1.254007249,1.346859936,2.004738307,0.0940265,0.072380356,0,0,0,1.160958813,1.081127481,1.429757543,0.899400391,0.449700195,0,0,0,1.43156131,1.156115058,1.042991253,1.105135007,0.552567504,0,0,0,0.861961564,1.369063731,2.155353895,0.100439439,0.05021972,0,0,0,1.583569344,1.267067827,0.881092163,1.114592362,0.557296181,0,0,0,1.617158618,1.305828384,0.85677381,1.094723767,0.547361884,0,0,0,1.19295302,1.052659623,1.98032171,0.292890101,0.322776846,0,0,0,21.94395169,11.09697585,15.88826369,22.12252312,3.160360446,11.09702462,0.25,4.44E-16,6.34E-17,-24.74535435,2000015.784,285716.5405,10.15606594,21.95016249,11.09971404,15.89343258,22.12820933,3.161172762,11.09976266,0.249265579,1.11E-16,1.59E-17,-25.7157604,2000015.786,285716.5409,10.15606594,27.64706537,13.62403545,20.71272983,27.36206932,3.908867046,13.62403899,-0.398994478,4.44E-16,6.34E-17,-24.74535435,2000018.483,285716.9262,10.15606689,21.95668145,11.10258812,15.89885827,22.13417774,3.162025391,11.1026366,0.2484948,0,0,0,2000015.788,285716.5412,10.15606594,34.29965946,16.45684434,26.13184278,33.83581907,4.833688438,16.45684457,-1.082294264,0,0,0,2000021.984,285717.4263,10.15606811,22.59739766,11.38526593,16.43374771,22.72106494,3.24586642,11.38530152,0.173134186,5.55E-16,7.93E-17,-24.58915386,2000016.027,285716.5752,10.15606603,22.44451474,11.40413568,15.66763799,22.70434089,3.24347727,11.40417397,0.363756614,7.77E-16,1.11E-16,-24.35362329,2000013.904,285716.2721,10.15606528,0,11.89,15.99491614,-0.374758005,0.128277811,5.414824243,6.983785878,7,19,19,19,7,0,0,0,0,0,15.034484,3.637341493,2.933810622,2.540474142,1.983448554,1.840573327,0.98819579,0.520957431,0.083923071,1.784392849,1.670970152,1.296410032,0.931385695,0.49606759,0.430007647,0.083923071,0.083923071,3.594256087,2.974228832,2.579792638,1.918428202,1.830446829,1.111527094,0.425665687,0.270913902,1.720804688,1.655507939,1.191241112,0.854895526,0.392216966,0.279396622,0.270913902,0.270913902,3.747455414,3.153618635,2.827980236,2.24427433,2.244248759,1.597243875,1.070926942,0.943918427,1.534222857,1.415564124,0.856807739,0.444741192,0.132086456,0.227674607,0.943918427,0.943918427,3.593563261,3.00414231,2.618027587,1.975003119,1.814387295,1.199329816,0.426533569,0.399277246,1.680334487,1.648045789,1.122087157,0.804819001,0.321575664,0.178221864,0.399277246,0.399277246,3.781195371,3.240986499,2.939203255,2.39175294,2.316416166,1.802727072,1.208225193,1.207644823,1.476327506,1.372997755,0.744668785,0.328061113,0.288339426,0.408464249,1.207644823,1.207644823,3.798926805,3.120135224,2.764244687,2.499639391,2.063760885,1.323494493,1.050598591,0.620689655,1.655997818,1.441394662,0.946737482,0.56803912,0.069492934,0.042586336,0.620689655,0.620689655,0,0,0,0,0,2,4,0,0,0,0,0.11785113,0.23570226,0.11785113,0,0,0.068041382,0.136082763,0.068041382,0.577350269,0,0,0,0.333333333,0,0,0,0.741581624,1.040440115,0.589255651,0.42815235,0.60069838,0.340206909,5.276020882,3.2876937,3.023395961,1.95700308,1.491624578,0.638071187,0,0,0.753717269,0.469670529,0.335932885,0.217444787,0.149162458,0.127614237,0,0,4.977162391,2.94260164,2.334667468,1.444334813,1.002073095,0.438832194,0,0,0.711023199,0.420371663,0.259407496,0.160481646,0.10020731,0.087766439,0,0,9.965765927,18.6576839,17.70196078,17.96,11.27156647,146.3240515,0.524513996,0.981983363,0.931682147,0.945263158,0.59324034,7.701265868,1.5738,29.243,22.47266809,30.16393587,44.94533619,6.420762312,22.47266809,3.33E-16,4.76E-17,-24.9467318,2000014.736,285716.3909,10.15606557,42,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.144444444,0,0,0,0,0,0,0,0,0,0,0,4.256944444,0,2.502314815,0,0,0,1.046296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,2.128472222,0,1.251157407,0,0,0,0.523148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.128472222,0,1.251157407,0,0,0,0.523148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.16666667,1.880952381,0.45,5.361111111,0.055555556,0.523148148,3.489791667,0.810185185,1.861111111,4.236111111,0.810185185,1.861111111,4.236111111,3.33333,0.47619,0,0.02381,0.48772,0.80952,0.43333,0.48772,0.80952,0.05439,0,-0.05439,0,0.58823,0.12606,0,0.3,0.3,0,4,0.57143,4,0.57143,0,0,-4,-0.57143,0,0,5.93931,0.84847,6.88311,0.94379,0.13483,2.82891,0.40413,3.28768,0.45877,0.06554,0.12632,0.01805,0.21232,0.03033,0.263157895,7.01,1,1,1,1,0,0,1,1.167436723,1.667951197,2.589518303,2.589518303,2.589518303,2.589518303,22.18129774,31.69107275,49.20084775,49.20084775,49.20084775,49.20084775,0.27482501,0.392650579,0.60959569,0.60959569,0.60959569,0.60959569,3.08049079,2.579976316,1.658409211,1.658409211,1.658409211,1.658409211,0.27482501,0.392650579,0.60959569,0.60959569,0.60959569,0.60959569,10.29981851,16.30599219,17.23477059,17.23477059,17.23477059,17.23477059,25.71846446,19.12111384,19.82418378,19.82418378,19.82418378,19.82418378,5.142857143,1.851851852,1.185185185,0,0,0,2.01,0.9041,0.25,1.632993162,2.309401077,0,1,2.828427125,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.438,0.434,0.384,0.231,3.027,9,9,10,5,0,0,0,0,0,47,2.079441542,2.302585093,2.302585093,2.397895273,1.791759469,0,0,0,0,0,3.871201011,1,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,2,0.285714286,0,2,4,1,2,0.666666667,0.569444444,0,0,0,0,0,0,0,0.285714286,0.074074074,0.142361111,0,0,0,0,0,0,0,0.502149471,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,9.23,108.7661345,3.807354922,3.496507561,4.234106505,5.043425117,5.802118375,6.610696045,7.378383713,8.182838711,8.955835144,9.75643661,73.46034778,2.708050201,0,3.931825633,2.397895273,5.303304908,4.59511985,6.736966958,6.502790046,8.206583614,8.621913502,100.088815,5.267832369,13.45353991,1.921934272,2.895226194,2.895226194,0,41,4,1.446,32,1.300399066,2.225407996,3.044846723,3.824372358,4.696114892,5.803955961,0,0,0,0,103.6726187,122.0813155,72.71600884,46.388959,19.77713826,5.89719071,0,0,0,0,311.0625163,380.9654357,357.1324375,343.7274965,259.1508679,180.4086838,0,0,0,0,9.975395726,16.98947744,23.16057198,26.62067337,32.09073261,38.99366918,0,0,0,0,2.177509116,2.789659956,2.976034154,3.387949482,2.992983066,2.580513719,0,0,0,0,188.3629317,348.3251714,506.04941,634.3973699,825.3773988,1073.253909,0,0,0,0,3.029991016,5.018672379,6.068600982,5.485947432,6.049063454,5.803955961,0,0,0,0,0.489322588,0.658187753,0.69809504,0.735675832,0.667047887,0.59432509,0,0,0,0,280.783345,140.7105532,9.021543641,71.60334339,-35.88299034,-11.99006577,209.1800016,176.5935435,21.01160941,0.79680463,0.399307232,0.025601261,0.20319537,-0.10182845,-0.034025308,98.94431309,49.58452585,3.179071888,25.23206505,-12.64468814,-4.225139571,0.119104607,0.747787608,2.002476775,20.78503466,324.5913165,27.7953719,0.921122526,0.078877474,453.7860053,21.30225353,7.684525087,570.0304383,23.87531022,8.291491926,722.9486687,26.88770479,8.975028178,1.965110831,1.965110831,345.9714592,276.936409,117.8768084,1.249281236,2.935025676,2.349371456,3.753201729,3.936375694,6.584169745,0.672647698,3.346839453,3.683794748,12.5383984,3.582823339,11.83447115,11.18824513,6.503618357,6.148209454,4.430612216,4.490982608,0.997637084,1.32979071,3.09E-08,3.75E-37,8.76E-88,3.95E-160,3.43E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,0.280907108,2.895591883,1.755968481,2.421550191,3.446168864,3.202525369,1.247883997,0.32674352,1.074191,0.176602372,0.082582117,0.009365825,2.18E-10,2.64E-39,6.17E-90,2.78E-162,2.42E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0.906729253,2.626348219,3.349888669,2.123665764,3.645544514,4.223643842,1.819718661,1.179458993,1.392865087,0.702073858,0.267338065,0.097599114,2.27E-09,2.75E-38,6.43E-89,2.90E-161,2.52E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,3.159145278,3.756421697,12.02299032,3.702021838,12.22404576,10.60541959,6.293014341,5.67310999,4.095499105,4.101206477,0.940901244,1.184819582,2.76E-08,3.34E-37,7.80E-88,3.52E-160,3.06E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336336539,2.583304456,4.556816301,2.085703944,4.086292055,5.074616518,2.28789935,1.864459063,1.720429381,1.168255487,0.394768875,0.211998318,4.93E-09,5.97E-38,1.40E-88,6.29E-161,5.47E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,4.04178653,4.243875004,15.99319094,4.328985174,15.57608744,14.07183101,8.626596291,8.042079178,5.818576499,6.076817569,1.208518269,1.939374775,4.51E-08,5.47E-37,1.28E-87,5.76E-160,5.00E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,2.220617636,3.528014649,7.721841495,3.369088579,10.58541137,7.477568019,4.411650489,3.248519496,3.142151779,2.456650084,0.762964672,0.512309382,1.19E-08,1.44E-37,3.37E-88,1.52E-160,1.32E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,3.773636564,1.251892046,0.663820119,0.663280938,0.220041363,0.525752167,0.475289924,0.404556633,5.68934873,8.060232602,16.88559078,0.494921408,1.405598724,2.523039122,0.97977637,0.255259234,0.671364809,0.260712317,0.237316998,0.323270403,0.059758493,3.758074726,3.366140113,7.755219268,0.507047214,0.620345894,3.143240538,1.013147357,0.417725435,0.687180293,0.221495902,0.365944291,0.320133613,0.165446136,4.574113331,4.920794787,10.82518227,0.530770439,0.85152404,3.677621382,1.256654869,0.650659342,0.658489489,0.225007943,0.499475922,0.484328407,0.391883227,5.584935594,7.832033757,16.42399203,0.487734233,1.375687556,3.407838992,1.057276575,0.490129323,0.687723628,0.213365151,0.429538548,0.340505715,0.224237868,4.95524489,5.791512407,12.51270714,0.531585442,0.994282132,3.834304242,1.28783351,0.694761327,0.659166369,0.221395196,0.542656213,0.5029467,0.442168689,5.816899078,8.496608709,17.74420135,0.488749553,1.487771603,3.734987163,1.249847139,0.653435134,0.662435026,0.22167212,0.51505807,0.476289334,0.393346196,5.638269436,7.92542889,16.61404005,0.49365254,1.3846936 +UMLRON0174,L,"2,5-dimethyltetrahydrofuran",CC1CCC(O1)C,13855, (cis & trans) reported,UML,[1],C6H12O,PubChem,,92.2,0,-0.0275,7.56E-04,33.2966,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1323.6122,1609.182801,1380.259615,767.897931,326.041801,74.760336,6.096384,0,3823.307636,4994.447843,6928.73748,6882.571331,4875.37762,2661.102781,1008.855504,186.5024666,0,154.382624,159.970976,299.553156,386.845756,342.04926,261.312868,129.646656,40.310784,0,28.53578067,37.90082034,56.49561099,60.26273018,46.21111016,27.93568575,11.79230222,2.667677429,0,3603.201977,3158.070517,6448.554114,8841.549765,8059.922349,6555.411125,3354.459867,1109.505912,0,36.02777778,44.33333333,71.66666667,84.66666667,72.33333333,49.5,22.5,6,0,53.10626655,60.16419091,38.31387621,25.09562936,15.67138635,8.580047395,3.934754526,1.016064,0,173.7867107,227.0203565,164.96994,125.1376606,99.49750244,70.02902055,53.0976581,31.08374443,0,7.017392,7.271408,7.132218,7.0335592,6.980597143,6.876654421,6.823508211,6.718464,0,1.297080939,1.722764561,1.345133595,1.095686003,0.943083881,0.735149625,0.620647485,0.444612905,0,163.781908,143.5486599,153.5370027,160.7554503,164.4882112,172.5108191,176.5505193,184.917652,0,1.637626263,2.015151515,1.706349206,1.539393939,1.476190476,1.302631579,1.184210526,1,0,0.038547532,0.002747074,-0.014198961,-0.011916774,-0.009869024,0.004615896,0.005018999,0.004329024,0,616.3360458,5.47E-13,-131.0714643,-165.0900123,-261.142383,69.0376415,84.04582443,96.05237078,0,1146.103196,1.28E-13,-243.7329848,-306.9919274,-485.6054125,128.3784424,156.2867994,178.613485,0,0.120736,1.75E-15,-0.025676,-0.03234,-0.051156,0.013524,0.016464,0.018816,0,5.123614541,1.10E-14,-1.089599846,-1.372396752,-2.170882135,0.573911369,0.69867471,0.798485383,0,27.8315555,-2.75E-14,-5.918723654,-7.454880939,-11.79226621,3.117495665,3.795212114,4.337385273,0,2.481060606,0.08459596,-0.534550046,-0.434974747,-0.924988522,0.012511478,0.225952709,0.330922865,0,0.001752161,1.25E-04,-3.38E-04,-2.17E-04,-2.01E-04,1.21E-04,2.64E-04,7.22E-04,0,28.01527481,2.49E-14,-3.12074915,-3.001636587,-5.329436389,1.816780039,4.423464444,16.00872846,0,52.0955998,5.81E-15,-5.803166305,-5.581671408,-9.91031454,3.378380062,8.225621022,29.76891417,0,0.005488,7.96E-17,-6.11E-04,-5.88E-04,-0.001044,3.56E-04,8.67E-04,0.003136,0,0.23289157,5.02E-16,-0.025942853,-0.024952668,-0.044303717,0.015102931,0.036772353,0.133080897,0,1.265070705,-1.25E-15,-0.140921992,-0.13554329,-0.240658494,0.08203936,0.199748006,0.722897546,0,0.112775482,0.003845271,-0.012727382,-0.007908632,-0.018877317,3.29E-04,0.011892248,0.055153811,0,0.07126459,-0.192944938,-0.12365797,-0.114948745,0.069326382,0.150761218,0.411779602,0,8.88E-16,-0.111394558,-0.107142857,-0.190233236,0.064849624,0.157894737,0.571428571,0,1.12E-16,-0.111394558,-0.107142857,-0.190233236,0.064849624,0.157894737,0.571428571,0,1.45E-14,-0.111394558,-0.107142857,-0.190233236,0.064849624,0.157894737,0.571428571,0,2.16E-15,-0.111394558,-0.107142857,-0.190233236,0.064849624,0.157894737,0.571428571,0,-9.89E-16,-0.111394558,-0.107142857,-0.190233236,0.064849624,0.157894737,0.571428571,0,0.034096692,-0.112855931,-0.070127226,-0.167388482,0.002919513,0.10545065,0.489058524,0,1.173642243,1.34994465,1.143465434,1.022038365,0.708186201,0.452630989,1.09E-04,0,1.3125,1.227678571,1.0875,1.094387755,0.705592105,0.542763158,0,0,1.3125,1.227678571,1.0875,1.094387755,0.705592105,0.542763158,0,0,1.3125,1.227678571,1.0875,1.094387755,0.705592105,0.542763158,0,0,1.3125,1.227678571,1.0875,1.094387755,0.705592105,0.542763158,0,0,1.3125,1.227678571,1.0875,1.094387755,0.705592105,0.542763158,0,0,1.282442748,1.097201018,0.972519084,1.177971647,0.890960225,0.612535155,0,0,29.69181935,14.84590967,22.02882074,29.69181935,3.711477418,14.84591115,3.55E-15,0.040659705,0.005082463,-2.562014181,61.4840671,7.685508388,3.295022456,29.69181935,14.84590967,22.02882074,29.69181935,3.711477418,14.84591115,3.55E-15,0.040659705,0.005082463,-2.562014181,61.4840671,7.685508388,3.295022456,29.69181935,14.84590967,22.02882074,29.69181935,3.711477418,14.84591115,3.55E-15,0.040659705,0.005082463,-2.562014181,61.4840671,7.685508388,3.295022456,29.69181935,14.84590967,22.02882074,29.69181935,3.711477418,14.84591115,3.55E-15,0.040659705,0.005082463,-2.562014181,61.4840671,7.685508388,3.295022456,29.69181935,14.84590967,22.02882074,29.69181935,3.711477418,14.84591115,3.55E-15,0.040659705,0.005082463,-2.562014181,61.4840671,7.685508388,3.295022456,29.69181935,14.84590967,22.02882074,29.69181935,3.711477418,14.84591115,3.55E-15,0.040659705,0.005082463,-2.562014181,61.4840671,7.685508388,3.295022456,31.29235716,15.58645636,23.41825101,31.20277383,3.900346729,15.58645705,-0.119444444,0.169865919,0.02123324,-1.418196692,34.76389807,4.345487258,2.838863549,0,11.9,12.10012615,-0.1409401,0.059943167,5.658433337,8.483505877,8,22,21,21,7,1,1,0,0,1,15.304898,3.671678409,3.109625573,2.750129472,2.463791668,1.642693285,1.456797487,1.166784528,0.332824592,1.986153629,1.59809941,1.372874417,1.195321542,0.666206401,0.664503245,0.523704877,0.083923071,3.69148223,3.1411763,2.792995694,2.517056039,1.721620909,1.556142907,1.285277931,0.463196286,1.937410952,1.524632661,1.285229005,1.097787554,0.535819138,0.522081792,0.36958988,0.270913902,3.780970353,3.282768567,2.981537655,2.746561768,2.053959605,1.9628467,1.754887098,0.957943356,1.799308701,1.311537586,1.018928274,0.791035888,0.116737221,0.037619229,0.161120783,0.943918427,3.706200293,3.164581799,2.824624264,2.556126783,1.779135011,1.62787375,1.369844186,0.555051372,1.906832416,1.478048475,1.228596505,1.033937955,0.450467634,0.425347018,0.265266737,0.399277246,3.825983167,3.353206229,3.072480534,2.854110543,2.204855193,2.141548494,1.954599921,1.207644823,1.757922119,1.246480118,0.933903671,0.689387768,0.027536505,0.135164289,0.356219287,1.155503275,3.733569233,3.253980176,2.816725818,2.647041584,1.923751184,1.715918915,1.495605646,0.7114755,1.89144528,1.34889324,1.196931573,0.921800525,0.297738476,0.283224723,0.104869681,0.607594937,0,0,0,1,1,1,5,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.088388348,0.051031036,0.204124145,0,0,0,0.144337567,0,0,0,0.49279928,0.594861352,0.49279928,0.348461713,0.420630496,0.348461713,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,5.612884175,3.573132185,2.507583597,1.904030206,1.294575975,0.878791798,0.24639964,0.102062073,0.701610522,0.446641523,0.2786204,0.190403021,0.129457598,0.08787918,0.06159991,0.051031036,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.82299,36.572,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,5,3,0,1,0,0,0,0,0,0,0,0,1,0,5,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.954027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,1.292986111,0.870833333,0,0.290694444,0,0,0,0,0,0,0,0,2.153425926,0,7.059212963,0,2.276944444,0,0,0,0,1.677083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.677083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,0.225625,0.290277778,0,0.290694444,0,0,0,0,0,0,0,0,2.153425926,0,1.371527778,0,2.276944444,0,0,0,0,1.677083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.276944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,0.290277778,0.290277778,0,0.290694444,0,0,0,0,0,0,0,0,2.153425926,0,1.455694444,0,2.276944444,0,0,0,0,1.677083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.16666667,1.645833333,0.290694444,2.276944444,0.026041667,1.371527778,4.733896343,0.128472222,0.276944444,0.881574074,0.128472222,0.276944444,0.881574074,4,0.5,0,0,0.44545,0.7,0.43333,0.43333,0.7,0.01212,0.01212,0,0,0.71429,0,0,0.125,0.125,0,5,0.625,4,0.5,1,0.125,-3,-0.375,0,0,6.97866,0.87233,8.02289,1.04423,0.13053,3.35606,0.41951,3.93185,0.57578,0.07197,-0.01785,-0.00223,0.06815,0.00852,0.272727273,8,0,0,0,0,0,0,0.75,0.945660305,1.965767808,2.99285605,3.243300369,3.243300369,3.095795255,20.8045267,43.24689177,65.8428331,71.35260811,71.35260811,68.10749561,0.212058483,0.440811291,0.671129486,0.727290078,0.727290078,0.694212967,3.513771314,2.493663811,1.466575568,1.21613125,1.21613125,1.363636364,0.209052139,0.434561929,0.661614913,0.716979319,0.716979319,0.684371141,6.786633838,16.43114617,18.84273529,19.09513934,19.09513934,18.94648,31.28312609,20.5112056,18.64729656,17.99764857,17.99764857,18.40770549,6.125,3.111111111,1.8,2,2,2,2.34,1.0842,0,2.00414513,0.5,0,7.732315986,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.076,0.353,0.392,4.039,9,10,10,10,4,2,0,0,0,61,2.302585093,2.564949357,2.708050201,2.708050201,2.708050201,2.197224577,1.609437912,0,0,0,4.430816799,1.360655738,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,0,131.9314183,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,110.1095504,5.004979566,15.69266546,1.961583183,0,0,0,64,7,3.529,34,1.241813552,2.159135962,2.95817157,3.749208208,4.46578376,5.280433762,6.08871752,0,0,0,87.040756,93.52335437,80.54269302,64.3205038,41.92959031,21.59659246,6.186526678,0,0,0,310.7210092,385.7485285,391.1527535,389.7836306,328.9139489,286.5587669,189.2601393,0,0,0,9.069181028,15.46122817,20.86596445,26.21310122,30.7699512,36.06057283,40.90682946,0,0,0,2.29563514,3.080800416,3.3782736,3.640625472,3.399625289,3.326707197,2.707122383,0,0,0,175.8046898,327.1395012,471.0878907,613.6735024,765.7113145,929.9143665,1125.911348,0,0,0,2.590701915,3.803836427,4.668104811,5.630902906,5.936406627,6.314945001,6.08871752,0,0,0,0.473749989,0.645446817,0.718101116,0.784017771,0.74521841,0.742089305,0.623484674,0,0,0,326.4771884,138.0439476,10.06128955,62.77150831,-26.54159957,-3.731698613,263.70568,164.5855471,13.79298816,0.838736754,0.354642029,0.025847972,0.161263246,-0.06818674,-0.009586926,127.0808201,53.73342667,3.916343843,24.4337278,-10.33128304,-1.452558822,0.134536896,0.207794995,4.43458525,3.554970565,389.2486967,0,1,0,515.6525243,22.70798371,8.018978506,655.7117252,25.60686871,8.687690016,848.5387075,29.12968773,9.467250882,1.437051847,1.348989838,431.637115,343.4737691,138.263975,1.256681452,3.121833544,2.484188446,3.952097372,3.906076091,6.890195592,0.763968605,5.657243339,6.757819745,2.327568871,23.32675641,8.660591944,14.86259234,9.068988479,3.819748979,4.925695913,3.89000794,1.98922606,0.683274717,0.29948271,7.08E-17,3.23E-54,2.84E-113,4.83E-194,1.58E-296,0,0,0,0,0,0,0,0,0,0,0,0,0.474777618,6.750431466,0.192560174,8.796674048,3.062630625,2.251664801,1.84081964,0.272100513,0.760150098,0.085769967,0.123557816,0.00481236,0.002109281,4.99E-19,2.28E-56,2.00E-115,3.40E-196,1.11E-298,0,0,0,0,0,0,0,0,0,0,0,0,1.532629358,6.750925303,0.623437261,9.904361299,3.674526213,4.588891637,2.921757114,0.910260402,1.230575061,0.435474332,0.42744674,0.050148499,0.021980337,5.20E-18,2.37E-55,2.09E-114,3.54E-195,1.16E-297,0,0,0,0,0,0,0,0,0,0,0,0,5.339976502,6.757008625,2.195123325,21.77986121,8.130120747,14.00674159,8.486929124,3.572143787,4.536305219,3.506119836,1.847794578,0.608785472,0.266833703,6.31E-17,2.88E-54,2.53E-113,4.30E-194,1.41E-296,0,0,0,0,0,0,0,0,0,0,0,0,2.258811414,6.751565464,0.920682823,11.21649558,4.252169258,6.263674703,3.780917828,1.373869607,1.666292897,0.802267616,0.658900179,0.108929241,0.047744228,1.13E-17,5.15E-55,4.53E-114,7.69E-195,2.52E-297,0,0,0,0,0,0,0,0,0,0,0,0,6.831939637,6.761230363,2.819932846,29.80061184,10.8378845,18.12659244,11.38254769,4.771059971,6.520011608,5.482816716,2.543785592,0.996491959,0.436767386,1.03E-16,4.71E-54,4.15E-113,7.04E-194,2.30E-296,0,0,0,0,0,0,0,0,0,0,0,0,3.445740404,6.480028538,1.390594274,14.08837914,5.180990472,8.9412859,5.340272811,2.498379725,2.646055843,1.682877485,1.128403134,0.252245626,0.110560513,2.62E-17,1.19E-54,1.05E-113,1.78E-194,5.83E-297,0,0,0,0,0,0,0,0,0,0,0,0,3.865045044,1.653681058,0.62624482,0.628976946,0.269111291,0.489980701,0.498594567,0.363697382,6.144970922,9.84762541,19.99527252,0.443465419,1.35227265,2.891795567,1.03275585,0.228085783,0.696375683,0.248698791,0.276088548,0.195743309,0.048164463,4.1526372,3.881653171,8.715472847,0.544563525,0.51999632,3.2606143,1.270660844,0.380038146,0.663898658,0.258721195,0.349610756,0.29586714,0.133887064,4.911313291,5.865192325,12.35105493,0.495847986,0.77936496,3.839100994,1.637384318,0.615736804,0.630164318,0.268766353,0.483443453,0.488940449,0.351600021,6.092222116,9.658157328,19.62095257,0.445246477,1.323983924,3.432352222,1.38026033,0.450312882,0.652175727,0.262261046,0.386968209,0.348689762,0.18803509,5.262925434,6.90472104,14.30102159,0.478263591,0.923693061,3.946916044,1.705034684,0.659373629,0.625370496,0.270154818,0.510913108,0.529608664,0.403168892,6.311324357,10.45637601,21.2050401,0.438055744,1.443690665,3.852667179,1.637258858,0.616728611,0.630896522,0.268110603,0.486836271,0.488949294,0.352721262,6.106654647,9.693607923,19.69047161,0.446344783,1.328506827 +UMLRON0175,L,ethylidenecyclohexane,CC=C1CCCCC1,13856,,UML,[1],C8H14,PubChem,,83,0,1.1929,1.42301041,39.1741,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1604.188161,1752.521409,1044.414507,281.939616,27.433728,0,0,3947.642614,5029.877407,7031.587075,8501.677705,7710.420624,4023.534994,839.2610996,0,0,181.25648,180.900988,339.464772,445.031748,565.821804,551.380608,181.398528,0,0,30.31423229,39.56609758,58.49435701,73.19072745,75.15521403,48.05441059,12.00454843,0,0,4342.872585,3643.766351,7589.85513,9982.078659,13277.79492,14406.01794,4992.776605,0,0,42.3125,50.125,75,102.75,129,99,27,0,0,45.09238923,49.11105724,33.42058669,27.81780014,12.89400626,3.480736,1.016064,0,0,151.8324082,201.1950963,146.4913974,134.9472652,95.19037807,49.67327153,31.08374443,0,0,6.971403077,7.23603952,7.07218275,7.063996,6.98545437,6.807168,6.718464,0,0,1.165932011,1.582643903,1.218632438,1.161757579,0.927842148,0.593264328,0.444612905,0,0,167.033561,145.7506541,158.1219819,158.445693,163.9233941,177.8520733,184.917652,0,0,1.627403846,2.005,1.5625,1.630952381,1.592592593,1.222222222,1,0,0,0.03558516,-0.008990482,0.003171158,-9.81E-04,-0.035222836,0.009954808,0.014275935,0,0,670.5194345,-58.02572029,75.2185263,-199.8663699,-719.9487517,257.8920902,309.4705082,0,0,1246.859521,-107.9013047,139.8720616,-371.6600494,-1338.775447,479.5613541,575.4736249,0,0,0.131350154,-0.01136684,0.014734793,-0.03915245,-0.141033018,0.05051929,0.060623148,0,0,5.574042193,-0.482369036,0.625293195,-1.661493346,-5.98494915,2.143862382,2.572634858,0,0,30.27828566,-2.620236259,3.396602558,-9.025258225,-32.51033877,11.64549448,13.97459338,0,0,3.540865385,-1.73881287,0.039940828,1.617326183,-2.99029216,-0.019138314,1.320543639,0,0,0.00136866,-3.60E-04,6.61E-05,-1.56E-05,-4.35E-04,1.23E-04,5.29E-04,0,0,25.78920902,-2.321028812,1.567052631,-3.172482062,-8.888256194,3.183852965,11.46187067,0,0,47.95613541,-4.316052187,2.914001283,-5.899365864,-16.52809194,5.920510544,21.31383796,0,0,0.005051929,-4.55E-04,3.07E-04,-6.21E-04,-0.001741148,6.24E-04,0.002245302,0,0,0.214386238,-0.019294761,0.013026942,-0.02637291,-0.073888261,0.026467437,0.095282773,0,0,1.164549448,-0.10480945,0.070762553,-0.143258067,-0.401362207,0.143771537,0.517577533,0,0,0.13618713,-0.069552515,8.32E-04,0.025671844,-0.036917187,-2.36E-04,0.048909024,0,0,-0.262752838,0.048270416,-0.011379027,-0.317719394,0.089795032,0.38631826,0,0,-0.09,0.060763889,-0.123015873,-0.344650206,0.12345679,0.444444444,0,0,-0.09,0.060763889,-0.123015873,-0.344650206,0.12345679,0.444444444,0,0,-0.09,0.060763889,-0.123015873,-0.344650206,0.12345679,0.444444444,0,0,-0.09,0.060763889,-0.123015873,-0.344650206,0.12345679,0.444444444,0,0,-0.09,0.060763889,-0.123015873,-0.344650206,0.12345679,0.444444444,0,0,-0.510712831,0.00610998,0.188504186,-0.271076915,-0.001734932,0.359131025,0,0,1.80070438,0.973546379,1.088780512,1.429110431,0.603716632,0,0,0,1.625,1.128472222,1.28968254,1.33744856,0.50154321,0,0,0,1.625,1.128472222,1.28968254,1.33744856,0.50154321,0,0,0,1.625,1.128472222,1.28968254,1.33744856,0.50154321,0,0,0,1.625,1.128472222,1.28968254,1.33744856,0.50154321,0,0,0,1.625,1.128472222,1.28968254,1.33744856,0.50154321,0,0,0,2.118126273,0.827393075,0.74596709,1.503608157,0.784491212,0,0,0,33.34098699,16.6704935,21.90656147,33.34098699,4.167623374,16.67049366,1.07E-14,6.94E-17,8.67E-18,-29.76544336,4000015.273,500001.9091,12.16144699,33.34098699,16.6704935,21.90656147,33.34098699,4.167623374,16.67049366,1.07E-14,6.94E-17,8.67E-18,-29.76544336,4000015.273,500001.9091,12.16144699,33.34098699,16.6704935,21.90656147,33.34098699,4.167623374,16.67049366,1.07E-14,6.94E-17,8.67E-18,-29.76544336,4000015.273,500001.9091,12.16144699,33.34098699,16.6704935,21.90656147,33.34098699,4.167623374,16.67049366,1.07E-14,6.94E-17,8.67E-18,-29.76544336,4000015.273,500001.9091,12.16144699,33.34098699,16.6704935,21.90656147,33.34098699,4.167623374,16.67049366,1.07E-14,6.94E-17,8.67E-18,-29.76544336,4000015.273,500001.9091,12.16144699,33.34098699,16.6704935,21.90656147,33.34098699,4.167623374,16.67049366,1.07E-14,6.94E-17,8.67E-18,-29.76544336,4000015.273,500001.9091,12.16144699,44.47210779,22.1110539,29.51086275,44.28460779,5.535575974,22.1110539,-0.25,4.44E-16,5.55E-17,-28.28040497,4000009.639,500001.2048,12.16144586,0,11.89,12.11011416,-0.167867879,0.052715655,5.749123776,9.528252778,7,25,25,25,7,0,0,0,0,0,19.677726,3.608099227,2.902564078,2.902564078,2.555281727,1.927669322,1.598026915,1.598026915,0.422956044,1.959622624,1.563026335,1.563026335,1.360288238,0.942326247,0.769718516,0.769718516,0.083923071,3.630582356,2.950308951,2.950308951,2.615756361,2.008401684,1.695309721,1.695309721,0.536187631,1.90589265,1.473453684,1.473453684,1.255317559,0.816976117,0.630337185,0.630337185,0.270913902,3.731599331,3.155598408,3.155598408,2.872138949,2.342549921,2.090117344,2.090117344,0.96371556,1.752181216,1.195492746,1.195492746,0.921177253,0.404890011,0.162386152,0.162386152,0.943918427,3.647262125,2.985267979,2.985267979,2.659856589,2.066840327,1.765276817,1.765276817,0.615751511,1.872049855,1.415133181,1.415133181,1.186285557,0.733543403,0.536857124,0.536857124,0.399277246,3.782046607,3.252217518,3.252217518,2.9904353,2.492084986,2.26277616,2.26277616,1.207644823,1.705673677,1.104407163,1.104407163,0.808823153,0.26130949,0.004703131,0.004703131,1.134173896,3.601791505,3.077859519,3.077859519,2.808097698,2.169004015,1.851311764,1.851311764,0.633365324,1.903267414,1.310195417,1.310195417,1.02915745,0.607106405,0.418975866,0.418975866,0.581818182,0,0,0,0,0,4,3,0,1,0,0,0,0,0,0,0,0,0,0,0.926776695,0.176776695,0,0,0.926776695,0.176776695,0,0,2.030330086,1.810660172,0,2.030330086,1.810660172,0,6.621320344,3.681980515,2.871320344,2.560660172,0.75,0,0,0,0.827665043,0.525997216,0.319035594,0.284517797,0.25,0,0,0,6.621320344,3.681980515,2.871320344,2.560660172,0.75,0,0,0,0.827665043,0.525997216,0.319035594,0.284517797,0.25,0,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,16.6704935,21.90656147,33.34098699,4.167623374,16.67049366,6.94E-17,8.67E-18,-29.76544336,4000015.273,500001.9091,12.16144699,41,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,9.166666667,0,3.958333333,0,0,0,0,0,0,0,0,0,0.625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.270833333,0,1.319444444,0,0,0,0,0,0,0,0,0,0.625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.354166667,0,1.319444444,0,0,0,0,0,0,0,0,0,0.625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.75,1.71875,0.2,2.354166667,0,0.625,6.021041667,0.625,0.354166667,2.333333333,0.625,0.354166667,2.333333333,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0,0.125,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.40685,1.17586,9.40685,0,0,3.68198,0.46025,3.68198,0,0,0.23202,0.029,0.23202,0.029,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.083551256,2.457987313,2.27720117,1.736936887,23.15278265,34.39789514,54.17233265,63.90767015,59.20723043,45.16035906,0.189448582,0.281462171,0.443267307,0.522927101,0.484465562,0.369526468,3.809948078,3.377443751,2.616888462,2.242452405,2.423238548,2.963502831,0.191756937,0.284891675,0.448668342,0.529298758,0.490368581,0.374029,6.648700044,11.83875197,13.97721418,14.35458021,12.18514649,5.701975091,31.72521615,24.13720728,24.21779674,23.8863455,22.80162864,15.24630525,8,3.111111111,2.222222222,8,0,5,2.34,1.2358,1.732050808,5.82590126,0,2.37841423,1.5,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,3.354,9,9,3,0,0,0,0,0,0,36,2.079441542,2.302585093,2.302585093,1.386294361,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,2,4,1,3,1.333333333,0.375,0,0,0,0,0,0,0,0.428571429,0.148148148,0.041666667,0,0,0,0,0,0,0,0.618386243,16.6704935,21.90656147,33.34098699,4.167623374,16.67049366,6.94E-17,8.67E-18,-29.76544336,4000015.273,500001.9091,12.16144699,0,146.9243357,4,3.496507561,4.234106505,5.030437921,5.789960171,6.591673732,7.35436233,8.157370441,8.920656297,9.723942139,74.2990171,2.708050201,0,3.931825633,0,5.416100402,0,6.965080346,0,8.528133131,8.765458532,114.1408506,4.390032714,14.43014069,1.803767586,0,0,0,64,9,4.868,32,1.2278,2.116401194,2.915846991,3.513449383,3.953236004,4.545788315,0,0,0,0,71.2221278,80.92015264,87.60651113,48.19424766,14.58564355,4.618811858,0,0,0,0,272.5498825,339.0696678,412.595636,343.8714492,202.5962055,141.3001222,0,0,0,0,8.919363223,15.03311663,20.64310879,24.56910019,26.94005053,30.54071514,0,0,0,0,2.081648384,2.75612872,3.505856552,3.321001339,2.395100522,2.021116147,0,0,0,0,176.77647,329.9402209,458.6923803,573.9932241,700.7248022,840.5965017,0,0,0,0,2.512415,3.428421659,4.858271113,5.64279001,4.906159986,4.545788315,0,0,0,0,0.4321989,0.579781655,0.742890154,0.718303164,0.535933707,0.465488723,0,0,0,0,361.0318278,158.2010919,8.736960079,141.1100991,-61.83325138,-8.397553722,219.9217287,220.0343433,17.1345138,0.718983635,0.315052545,0.017399384,0.281016365,-0.123138993,-0.016723467,181.2892176,79.43940114,4.387193969,70.85729706,-31.04906799,-4.216763807,0.061130948,0.14784157,1.180594378,7.057816512,502.1419268,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,805.8332953,28.38720302,9.30568618,1.312269645,1.080871463,383.9820277,306.3468434,198.1374314,1.253422504,1.937958037,1.546133112,3.965650948,3.220194404,6.42424645,0.994987148,5.221382682,6.639752593,3.064874618,31.54069578,8.80390472,14.07001805,15.55651927,15.52141369,5.270165988,4.564169252,0.162548497,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422728311,6.639331751,0.180571034,10.67634928,2.072399448,1.442564053,0.850249175,0.669577445,0.966408609,0.069215674,0.001145911,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.374809609,6.639367635,0.633407336,13.55649255,2.585867638,2.806919854,2.846257295,2.578597311,1.255549687,0.430223831,0.011932885,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.917909961,6.639709135,2.840218615,29.77565187,8.08736367,12.86779261,14.30037373,14.2150716,4.798201402,4.092117426,0.14482852,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.036527027,6.639407121,0.984620214,15.94298954,3.193870147,4.103724634,4.515113506,4.222389876,1.629025461,0.843283268,0.025917192,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.356022077,6.639933591,3.951267048,38.62965516,11.80260601,19.00862137,20.61148841,20.80911417,7.254365017,6.535500318,0.237058222,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.183672188,5.498497917,1.410419916,19.01306742,4.794527234,6.547651372,7.565377142,6.885416512,2.737654164,1.708251179,0.055029386,0.381405489,2.72E-15,3.73E-51,9.89E-109,5.06E-188,4.98E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,2.860570112,1.733886857,0.999561055,0.511362334,0.309953749,0.426953056,0.41364766,0.437699936,5.594018025,9.552345178,20.104091,0.267043501,1.278300651,2.15605128,1.211906575,0.529352653,0.553215166,0.310959718,0.242617668,0.201969013,0.122642589,3.897310508,4.395770147,9.676243523,0.329822749,0.56722927,2.446424248,1.427010944,0.723189834,0.532221844,0.310447543,0.312326003,0.280073635,0.229002471,4.596625026,6.292303129,13.41363751,0.298332766,0.82140211,2.844156017,1.721722532,0.988609336,0.512046488,0.309969626,0.422069764,0.407856402,0.428153261,5.554487885,9.410717662,19.8062747,0.268069733,1.258079427,2.571253371,1.519497676,0.806502478,0.525039873,0.310275478,0.344994092,0.317586193,0.284851617,4.897253525,7.206214377,15.25448399,0.28755981,0.947431901,2.911642669,1.771737099,1.033636453,0.509294107,0.309905907,0.442327061,0.431930081,0.46807766,5.717016221,9.999577388,21.04877815,0.26394116,1.342334802,2.853496663,1.723790822,0.990330969,0.512516561,0.309610085,0.424835996,0.4088159,0.429643904,5.567618454,9.451860906,19.89075038,0.268774842,1.2632958 +UMLRON0176,L,3-Methyl-3-ethylpentane,CCC(C)(CC)CC,14018,,"Sandia, UML",[1],C8H18,PubChem,,80.8,0,0.8578,0.73582084,44.0225,29.17586,0,0,29,9,20,0,9,0,0,0,0,0,0,0,0,0,1318.698369,1396.254728,1797.896698,2191.410156,1616.395542,509.011776,54.867456,0,0,4433.327004,5682.867541,7945.134187,9958.730877,10171.30826,6368.547788,1678.522199,0,0,202.233924,202.676768,382.19428,507.96408,633.544152,739.96416,362.797056,0,0,33.9923581,44.5820862,66.18204716,84.22510488,94.21676832,72.09972431,24.00909686,0,0,4839.502245,4076.805803,8514.057329,11471.96764,14386.14265,18826.48266,9985.553209,0,0,46.5625,55.5,83.5,111,150,144,54,0,0,45.47235755,49.86624029,33.2943833,30.43625217,17.95995047,4.713072,1.016064,0,0,152.873345,202.9595551,147.1321146,138.3157066,113.0145362,58.96803508,31.08374443,0,0,6.973583586,7.238456,7.077671852,7.055056667,7.039379467,6.85152,6.718464,0,0,1.172150279,1.592217364,1.225593466,1.169793123,1.046852981,0.66759004,0.444612905,0,0,166.8793878,145.6002072,157.6677283,159.3328839,159.8460294,174.3192839,184.917652,0,0,1.605603448,1.982142857,1.546296296,1.541666667,1.666666667,1.333333333,1,0,0,0.039883493,-0.009553413,-0.002033221,0.013194177,-0.040843689,-0.009257736,0.028552137,0,0,751.4441938,-57.58193056,36.85243556,38.00407417,-929.3723592,-93.28272751,629.6584107,0,0,1397.342566,-107.0760587,68.52867757,70.67019875,-1728.207588,-173.4632151,1170.876702,0,0,0.147202759,-0.011279905,0.007219139,0.007444737,-0.182057665,-0.018273446,0.12334576,0,0,6.246771423,-0.478679803,0.306355074,0.31592867,-7.725892013,-0.77546128,5.234363641,0,0,33.93256151,-2.600196285,1.664125622,1.716129548,-41.96716803,-4.212317981,28.43314637,0,0,3.715517241,-1.587395957,-0.810790725,2.23216409,-1.457639715,-2.742271106,2.508174792,0,0,0.001375293,-3.41E-04,-3.77E-05,1.83E-04,-4.54E-04,-8.57E-05,5.29E-04,0,0,25.91186875,-2.05649752,0.68245251,0.527834363,-10.32635955,-0.863728958,11.66034094,0,0,48.18422642,-3.824144954,1.269049585,0.981530538,-19.20230653,-1.606140881,21.68290189,0,0,0.005075957,-4.03E-04,1.34E-04,1.03E-04,-0.002022863,-1.69E-04,0.002284181,0,0,0.215405911,-0.017095707,0.005673242,0.004387898,-0.085843245,-0.007180197,0.09693266,0,0,1.170088328,-0.092864153,0.030817141,0.023835133,-0.466301867,-0.039002944,0.526539748,0,0,0.128121284,-0.056692713,-0.015014643,0.031002279,-0.016195997,-0.025391399,0.046447681,0,0,-0.248087773,-0.027377622,0.133246135,-0.329979736,-0.062328381,0.384458682,0,0,-0.079365079,0.026337449,0.02037037,-0.398518519,-0.033333333,0.45,0,0,-0.079365079,0.026337449,0.02037037,-0.398518519,-0.033333333,0.45,0,0,-0.079365079,0.026337449,0.02037037,-0.398518519,-0.033333333,0.45,0,0,-0.079365079,0.026337449,0.02037037,-0.398518519,-0.033333333,0.45,0,0,-0.079365079,0.026337449,0.02037037,-0.398518519,-0.033333333,0.45,0,0,-0.442492542,-0.117190857,0.241976025,-0.126411446,-0.198182521,0.362529002,0,0,1.784875369,1.054553482,0.874155264,1.538079911,0.904733617,0,0,0,1.611111111,1.169547325,1.127777778,1.503703704,0.751851852,0,0,0,1.611111111,1.169547325,1.127777778,1.503703704,0.751851852,0,0,0,1.611111111,1.169547325,1.127777778,1.503703704,0.751851852,0,0,0,1.611111111,1.169547325,1.127777778,1.503703704,0.751851852,0,0,0,1.611111111,1.169547325,1.127777778,1.503703704,0.751851852,0,0,0,2.052204176,0.959439718,0.510247486,1.381593194,1.255993813,0,0,0,40.78460969,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,-7.11E-15,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,40.78460969,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,-7.11E-15,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,40.78460969,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,-7.11E-15,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,40.78460969,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,-7.11E-15,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,40.78460969,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,-7.11E-15,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,40.78460969,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,-7.11E-15,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,53.61524149,26.67613926,33.85352069,53.41071474,5.93452386,26.67613926,-0.262962963,1.80E-16,2.00E-17,-32.62616348,4000024.211,444447.1345,13.68162987,0,11.89,12.11013444,-0.167750256,0.052870184,5.906707008,10.15700279,8,28,28,28,8,0,0,0,0,0,21.86414,3.637282007,2.902564078,2.902564078,2.902564078,2.14936441,1.598026915,1.598026915,1.598026915,1.974892075,1.563026335,1.563026335,1.563026335,1.048930994,0.769718516,0.769718516,0.769718516,3.658753114,2.950308951,2.950308951,2.950308951,2.217766728,1.695309721,1.695309721,1.695309721,1.922967344,1.473453684,1.473453684,1.473453684,0.933620224,0.630337185,0.630337185,0.630337185,3.755381836,3.155598408,3.155598408,3.155598408,2.507077934,2.090117344,2.090117344,2.090117344,1.775109076,1.195492746,1.195492746,1.195492746,0.562129754,0.162386152,0.162386152,0.162386152,3.674689108,2.985267979,2.985267979,2.985267979,2.267644441,1.765276817,1.765276817,1.765276817,1.890327588,1.415133181,1.415133181,1.415133181,0.857422689,0.536857124,0.536857124,0.536857124,3.803761995,3.252217518,3.252217518,3.252217518,2.639666545,2.26277616,2.26277616,2.26277616,1.730553434,1.104407163,1.104407163,1.104407163,0.435831157,0.004703131,0.004703131,0.004703131,3.621293872,3.091071415,3.091071415,3.091071415,2.376484409,1.861851204,1.861851204,1.861851204,1.929394785,1.298059931,1.298059931,1.298059931,0.724306504,0.408961048,0.408961048,0.408961048,0,0,0,0,0,4,4,0,1,0,0,0,0,0,0,0,0,0,0,0.707106781,0.125,0,0,0.707106781,0.125,0,0,2.121320344,2.621320344,0,2.121320344,2.621320344,0,7.328427125,4.242640687,2.914213562,3,1.5,0,0,0,0.814269681,0.530330086,0.291421356,0.25,0.25,0,0,0,7.328427125,4.242640687,2.914213562,3,1.5,0,0,0,0.814269681,0.530330086,0.291421356,0.25,0.25,0,0,0,14.41827804,27.87836854,26.25490196,26.6,16.98554491,223.5398563,0.497182001,0.961323053,0.905341447,0.917241379,0.585708445,7.708270906,3.6128,43.597,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,48,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,4,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.208333333,0,5.375,0,0,0,0,0,0,0,0,0,0.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.302083333,0,1.34375,0,0,0,0,0,0,0,0,0,0.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.302083333,0,1.34375,0,0,0,0,0,0,0,0,0,0.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.25,1.694444444,0.2,2.302083333,0,0.666666667,6.732083333,0.583333333,0.302083333,2.416666667,0.583333333,0.302083333,2.416666667,4.5,0.5,0,0,0.42414,0.7,0.42414,0.42414,0.7,0,0,0,0,0.71429,0,0,0.44444,0,0.11111,4,0.44444,4,0.44444,0,0,-4,-0.44444,0,0,11.07107,1.23012,11.07107,0,0,4.24264,0.4714,4.24264,0,0,0.17136,0.01904,0.17136,0.01904,0,8,0,0,0,0,0,0,1,0.893571102,1.325616792,1.995237891,1.995237891,1.827721305,1.43351703,25.91356195,38.44288696,57.86189885,57.86189885,53.00391785,41.57199387,0.183938781,0.272874018,0.4107134,0.4107134,0.376230641,0.29508494,3.964409893,3.532364203,2.862743104,2.862743104,3.03025969,3.424463965,0.185875833,0.275747644,0.415038607,0.415038607,0.380192712,0.298192468,6.65913786,11.84368614,12.51854705,12.51854705,10.50834802,5.777896713,35.68332321,27.32073783,30.34847186,30.34847186,29.34337234,19.88246974,9,3.92,2,9,0,5,2.45,1.3767,1.5,7.019061402,0,2,3,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,3.853,10,12,6,0,0,0,0,0,0,45,2.197224577,2.397895273,2.564949357,1.945910149,0,0,0,0,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.5,8,1,1,2,4,1,3,1.333333333,0.75,0,0,0,0,0,0,0,0.375,0.133333333,0.0625,0,0,0,0,0,0,0,0.570833333,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,0,164.2203203,4.169925001,3.610917913,4.394449155,5.198497031,5.993961427,6.803505258,7.601402335,8.412054873,9.210440367,10.02131503,78.24654339,2.833213344,0,4.043051268,0,5.549076085,0,7.136483209,0,8.741456116,8.968268811,128.1565006,4.419189677,16.42830086,1.825366762,0,0,0,88,12,5.437,36,1.230142857,2.121349563,2.909612768,3.545081013,3.977681278,4.356754031,0,0,0,0,72.40063676,80.54932465,96.2260113,66.2617814,19.12908082,4.426740927,0,0,0,0,275.5059647,340.3496337,424.8349438,409.3363689,237.4371121,135.4242288,0,0,0,0,8.939719117,15.07778393,20.58019479,24.98005525,27.26691045,29.27069511,0,0,0,0,2.098837641,2.771904304,3.541786163,3.768141885,2.678498865,1.937069065,0,0,0,0,176.9060838,329.9031207,459.7773136,564.801096,692.2915066,805.6407258,0,0,0,0,2.491660714,3.383177224,4.599946292,5.978423548,5.338015732,4.356754031,0,0,0,0,0.435567857,0.583208226,0.748520496,0.808326005,0.594496584,0.446131613,0,0,0,0,375.1899386,183.9543703,9.104550462,141.7390721,-69.49419233,-8.440468948,233.4508665,253.4485626,17.54501941,0.725805538,0.355860024,0.017612767,0.274194462,-0.134436626,-0.016328101,193.9465638,95.09135065,4.706406264,73.26903834,-35.92356409,-4.363123264,0.054651513,0.132112797,1.055459976,6.282011201,516.9290108,0,1,0,496.6525532,22.28570289,7.919253116,690.3932748,26.27533586,8.838234442,974.8414171,31.22245053,9.915424777,1.312269645,1.080871463,425.3191316,386.0842576,259.7526301,1.101622569,1.637400674,1.486353603,4.139130056,3.220194404,6.42424645,0.994987148,6.577483003,7.947321096,4.894232853,32.64673409,12.5509315,15.76826118,21.51994865,23.16097971,8.302915224,6.907280967,0.856847676,1.126710554,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.475163179,7.590335798,0.313701462,12.65303744,2.171182234,2.499689191,1.23899304,1.054808198,1.047084484,0.085818343,0.006035917,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.584516329,7.614198103,1.076607389,15.59439644,3.04686507,4.05127613,4.039637656,3.990190405,1.630530531,0.602451745,0.062890516,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.155698932,7.90813001,4.552940442,31.01951764,11.47574245,14.54672713,19.80462297,21.24977999,7.541168937,6.179856596,0.763436589,1.003878819,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.386511028,7.645129725,1.651411966,17.95197167,4.017079759,5.459873195,6.35980804,6.473469944,2.297571008,1.217139377,0.136603977,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,8.193892073,8.112112566,6.227004659,39.12940644,17.03117373,20.75571503,28.40892392,30.87071806,11.4838725,9.952382561,1.249628323,1.643201452,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.845122238,6.567009009,2.609516396,19.9774825,6.170132562,7.980371239,10.81473787,11.00675398,4.141765757,2.574153153,0.29843929,0.392425928,2.80E-15,3.84E-51,1.02E-108,5.20E-188,5.13E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,2.888682359,1.711309498,1.343196526,0.486049267,0.287944684,0.488100275,0.449747773,0.511014452,5.943188382,11.12212264,23.70530843,0.229073901,1.4488625,2.152455777,1.167032579,0.863164121,0.514615017,0.279017343,0.270385225,0.208707721,0.21193646,4.182652476,5.377249263,11.72815794,0.271922526,0.691029406,2.454682878,1.390499183,1.060269934,0.500398919,0.283459951,0.352000337,0.296575399,0.31916834,4.905451996,7.490165469,16.01456742,0.250598379,0.967744076,2.871415325,1.698547471,1.331942281,0.486523468,0.287796474,0.482259513,0.443045525,0.50253089,5.901905078,10.96416191,23.36226282,0.229785202,1.427835928,2.585131028,1.4869357,1.145322894,0.495483607,0.284996101,0.390564961,0.339268579,0.372146389,5.217389622,8.507754864,18.1276782,0.24322541,1.10197993,2.942443786,1.751043652,1.378235901,0.484614272,0.288393188,0.506511765,0.470938227,0.537879225,6.071723339,11.6210804,24.79395405,0.226921408,1.515329217,2.882807732,1.702683592,1.333091496,0.487077366,0.28768434,0.486110471,0.445395808,0.50359341,5.91858282,11.02138891,23.4834639,0.230616049,1.435099689 +UMLRON0177,L,"3,3-diethylpentane",CCC(CC)(CC)CC,14020,,"Sandia, UML",[1],C9H20,PubChem,,84,0,0.603,0.363609,40.1487,29.17586,0,0,29,9,20,0,9,0,0,0,0,0,0,0,0,0,1318.698369,1396.254728,1797.896698,1949.278138,1725.435272,623.814912,73.156608,0,0,4433.327004,5682.867541,7945.134187,9508.47605,9617.728623,6812.874852,2238.029599,0,0,202.233924,202.676768,382.19428,507.916648,628.801568,623.821824,483.729408,0,0,33.9923581,44.5820862,66.18204716,82.21225631,88.20244002,72.12386888,32.01212915,0,0,4839.502245,4076.805803,8514.057329,11461.03381,14778.61773,15116.42368,13314.07095,0,0,47.58333333,56.22222222,85.11111111,115,140,138,72,0,0,45.47235755,49.86624029,33.2943833,27.07330747,19.17150302,6.9312768,1.016064,0,0,152.873345,202.9595551,147.1321146,132.0621674,106.8636514,75.69860947,31.08374443,0,0,6.973583586,7.238456,7.077671852,7.054397889,6.986684089,6.9313536,6.718464,0,0,1.172150279,1.592217364,1.225593466,1.141836893,0.980027111,0.801376321,0.444612905,0,0,166.8793878,145.6002072,157.6677283,159.1810252,164.2068636,167.9602631,184.917652,0,0,1.640804598,2.007936508,1.576131687,1.597222222,1.555555556,1.533333333,1,0,0,0.039622214,-0.009010392,-4.68E-04,-0.004910494,-0.001029033,-0.042823548,0.038430561,0,0,751.4441938,-57.58193056,36.85243556,-204.1279438,-236.3738249,-754.0353807,839.5445475,0,0,1397.342566,-107.0760587,68.52867757,-379.5846281,-439.547221,-1402.160989,1561.168936,0,0,0.147202759,-0.011279905,0.007219139,-0.039987263,-0.04630401,-0.147710354,0.164461013,0,0,6.246771423,-0.478679803,0.306355074,-1.6969199,-1.964980589,-6.268312014,6.979151521,0,0,33.93256151,-2.600196285,1.664125622,-9.217695829,-10.67380575,-34.04957035,37.91086183,0,0,4.126436782,-2.198705245,0.772228828,-1.124256837,3.107609988,-6.237217598,3.617122473,0,0,0.001366283,-3.22E-04,-8.67E-06,-6.82E-05,-1.14E-05,-4.76E-04,5.34E-04,0,0,25.91186875,-2.05649752,0.68245251,-2.835110331,-2.626375833,-8.378170896,11.66034094,0,0,48.18422642,-3.824144954,1.269049585,-5.272008724,-4.883858011,-15.57956654,21.68290189,0,0,0.005075957,-4.03E-04,1.34E-04,-5.55E-04,-5.14E-04,-0.001641226,0.002284181,0,0,0.215405911,-0.017095707,0.005673242,-0.023568332,-0.021833118,-0.069647911,0.09693266,0,0,1.170088328,-0.092864153,0.030817141,-0.128023553,-0.118597842,-0.378328559,0.526539748,0,0,0.142290924,-0.078525187,0.014300534,-0.015614678,0.034529,-0.069302418,0.050237812,0,0,-0.235529272,-0.006345972,-0.049917399,-0.00836847,-0.348256628,0.390664079,0,0,-0.079365079,0.026337449,-0.10941358,-0.101358025,-0.323333333,0.45,0,0,-0.079365079,0.026337449,-0.10941358,-0.101358025,-0.323333333,0.45,0,0,-0.079365079,0.026337449,-0.10941358,-0.101358025,-0.323333333,0.45,0,0,-0.079365079,0.026337449,-0.10941358,-0.101358025,-0.323333333,0.45,0,0,-0.079365079,0.026337449,-0.10941358,-0.101358025,-0.323333333,0.45,0,0,-0.551863642,0.100502081,-0.109737697,0.24266481,-0.487047354,0.353064067,0,0,1.769789966,1.035944901,1.132017818,1.033193297,1.400127248,1.01E-05,0,0,1.611111111,1.169547325,1.25308642,1.102716049,1.202962963,0,0,0,1.611111111,1.169547325,1.25308642,1.102716049,1.202962963,0,0,0,1.611111111,1.169547325,1.25308642,1.102716049,1.202962963,0,0,0,1.611111111,1.169547325,1.25308642,1.102716049,1.202962963,0,0,0,1.611111111,1.169547325,1.25308642,1.102716049,1.202962963,0,0,0,2.167595172,0.708569758,1.107358403,0.716248839,1.809470752,0,0,0,41.48767932,20.74383966,28.20794127,41.48767932,4.609742146,20.74383966,-3.55E-15,1.67E-16,1.85E-17,-32.69820192,4000010.529,444445.6143,13.6816268,41.48767932,20.74383966,28.20794127,41.48767932,4.609742146,20.74383966,-3.55E-15,1.67E-16,1.85E-17,-32.69820192,4000010.529,444445.6143,13.6816268,41.48767932,20.74383966,28.20794127,41.48767932,4.609742146,20.74383966,-3.55E-15,1.67E-16,1.85E-17,-32.69820192,4000010.529,444445.6143,13.6816268,41.48767932,20.74383966,28.20794127,41.48767932,4.609742146,20.74383966,-3.55E-15,1.67E-16,1.85E-17,-32.69820192,4000010.529,444445.6143,13.6816268,41.48767932,20.74383966,28.20794127,41.48767932,4.609742146,20.74383966,-3.55E-15,1.67E-16,1.85E-17,-32.69820192,4000010.529,444445.6143,13.6816268,41.48767932,20.74383966,28.20794127,41.48767932,4.609742146,20.74383966,-3.55E-15,1.67E-16,1.85E-17,-32.69820192,4000010.529,444445.6143,13.6816268,57.13472433,28.40301031,39.96807578,56.87906589,6.31989621,28.40301031,-0.328703704,3.33E-16,3.70E-17,-32.07436945,4000010.15,444445.5722,13.68162671,0,11.89,12.11013444,-0.163192193,0.057764447,5.755740236,9.528254218,8,28,28,28,8,0,0,0,0,0,21.86414,3.617524123,3.112599877,2.965363309,2.333552793,2.333552793,2.125929093,1.462643658,1.162837791,1.96903559,1.667247237,1.594218112,1.249629723,1.249629723,1.019639561,0.650559209,0.440344289,3.640334947,3.150713835,3.010171117,2.405454588,2.405454588,2.19362226,1.561842269,1.269690916,1.915793754,1.58857667,1.50783984,1.134540686,1.134540686,0.904749603,0.510120709,0.290000277,3.742113118,3.318028628,3.203998973,2.704236987,2.704236987,2.480513925,1.963546673,1.702702127,1.762729161,1.351217995,1.241889798,0.76031856,0.76031856,0.535194176,0.036881706,0.218324093,3.657217156,3.178805544,3.04304316,2.457539916,2.457539916,2.243019406,1.633146515,1.346550641,1.882203215,1.537907807,1.451768135,1.058262671,1.058262671,0.82887486,0.415804023,0.188893887,3.792584186,3.398793114,3.295890183,2.838982085,2.838982085,2.612248097,2.138641733,1.891182114,1.716091445,1.275766962,1.155485387,0.631337262,0.631337262,0.409786318,0.132771797,0.40108138,3.60570914,3.243302266,3.123728358,2.627181624,2.627181624,2.310625592,1.69996968,1.403021959,1.923265063,1.458235189,1.356848153,0.88524614,0.88524614,0.728730198,0.315044031,0.091314842,0,0,0,0,0,5,1,3,0,0,0,0,0,0,0,0,0,0,0,0.80274943,0,0.272165527,0,0.80274943,0,0.272165527,0,1.536718518,2.329866988,1.008946671,1.536718518,2.329866988,1.008946671,7.439157589,4.091422815,3.560136773,2.184013921,1.712609401,0,0,0,0.826573065,0.511427852,0.356013677,0.218401392,0.214076175,0,0,0,7.439157589,4.091422815,3.560136773,2.184013921,1.712609401,0,0,0,0.826573065,0.511427852,0.356013677,0.218401392,0.214076175,0,0,0,14.41827804,27.87836854,26.25490196,26.6,16.98554491,223.5398563,0.497182001,0.961323053,0.905341447,0.917241379,0.585708445,7.708270906,3.3246,43.457,20.74383966,28.20794127,41.48767932,4.609742146,20.74383966,1.67E-16,1.85E-17,-32.69820192,4000010.529,444445.6143,13.6816268,50,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,5,0,1,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,11.53703704,0,1.328703704,0,0,0,2.634259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.282407407,0,1.328703704,0,0,0,0.856481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.313657407,0,1.328703704,0,0,0,0.921296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.5,1.722222222,0.2,2.313657407,0.2,0.856481481,6.74399537,0.476851852,0.313657407,3.074074074,0.476851852,0.313657407,3.074074074,4.5,0.5,0,0,0.42414,0.7,0.42414,0.42414,0.7,0,0,0,0,0.71429,0,0,0.55556,0.33333,0,4,0.44444,4,0.44444,0,0,-4,-0.44444,0,0,11.20719,1.24524,11.20719,0,0,4.0914,0.4546,4.0914,0,0,0.3226,0.03584,0.3226,0.03584,0,8,0,0,0,0,0,0,1,0.893571102,1.313046862,2.259420773,2.727827978,2.560311391,1.959210565,25.91356195,38.07835898,65.52320242,79.10701135,74.24903035,56.81710637,0.183938781,0.270286537,0.465094609,0.561514749,0.52703199,0.403297289,3.964409893,3.544934134,2.598560222,2.130153018,2.297669604,2.898770431,0.185875833,0.273132915,0.469992503,0.567428039,0.532582144,0.407544397,6.65913786,11.69284698,15.05904027,15.53111277,13.52091374,8.14907544,35.68332321,27.61103379,24.59606233,24.23775986,23.23266034,18.86723238,9,3.92,2.88,9,0,5,2.45,1.3767,2.871745887,2.076218233,7.671838029,0,0,1.889881575,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.139,0.124,0.01,-0.005,3.581,10,10,8,0,0,0,0,0,0,45,2.197224577,2.397895273,2.397895273,2.197224577,0,0,0,0,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.375,8,1,1,2,4,1,2.5,1.333333333,1,0,0,0,0,0,0,0,0.3125,0.133333333,0.1,0,0,0,0,0,0,0,0.545833333,20.74383966,28.20794127,41.48767932,4.609742146,20.74383966,1.67E-16,1.85E-17,-32.69820192,4000010.529,444445.6143,13.6816268,0,164.2203203,4.169925001,3.610917913,4.343805422,5.141663557,5.888877958,6.690842277,7.44132039,8.24407127,8.995288991,9.798182591,77.15497037,2.833213344,0,4.043051268,0,5.451038454,0,6.947937069,0,8.479906607,8.727454117,128.1565006,4.419189677,16.33353187,1.814836875,0,0,0,90,10,5.278,36,1.230142857,2.12123258,2.909303691,3.528225159,4.185537745,4.599846603,0,0,0,0,72.40063676,80.54106823,87.24111763,74.4959363,29.72280583,4.673738539,0,0,0,0,275.5059647,340.2839048,407.4650411,400.5023129,322.207197,142.9804562,0,0,0,0,8.939719117,15.0767006,20.57224469,24.71943965,29.0370558,30.90390381,0,0,0,0,2.098837641,2.77135494,3.460983806,3.612801768,3.397114609,2.04515116,0,0,0,0,176.9060838,329.9051835,459.6490898,574.1769404,700.963803,850.5928336,0,0,0,0,2.516301587,3.469306064,4.753082027,5.665279221,6.481992212,4.599846603,0,0,0,0,0.435567857,0.583093918,0.733516745,0.773919544,0.7445912,0.471024292,0,0,0,0,386.1403525,188.8911008,9.254304561,134.2857417,-65.68953858,-8.044892775,251.8546108,254.5806394,17.29919734,0.741969622,0.362954708,0.017782169,0.258030378,-0.126222607,-0.015458281,200.9575155,98.30385786,4.816181578,69.88580409,-34.18655,-4.186772125,0.062022785,0.132704154,0.624292321,7.23661783,520.4260943,0,1,0,496.6525532,22.28570289,7.919253116,690.3932748,26.27533586,8.838234442,947.9588276,30.78894002,9.823430082,1.109914425,1.04424354,523.3504508,339.9512092,302.5450558,1.539486952,1.729826486,1.12363829,4.302783096,3.220218461,6.42424645,0.994972244,5.578011223,7.947188571,4.934036049,29.37692058,9.060692396,9.670652939,15.17119569,26.01345368,9.222014477,10.6138064,3.081001081,1.520643639,8.38E-15,1.11E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.468123817,7.59033269,0.295166782,11.86902249,1.569411516,2.041956784,1.501300007,1.420290015,1.170388298,0.213342923,0.021700817,0.010710017,5.90E-17,7.81E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.511160755,7.61418279,1.0311893,14.63934634,2.114126779,2.76920958,3.387574909,5.002169261,1.998040867,1.135055327,0.226130807,0.11160664,6.15E-16,8.14E-52,2.15E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.26518757,7.908010436,4.575449119,28.02087926,8.253828176,8.910029042,14.01451428,23.99912223,8.440476869,9.55213717,2.745117234,1.354866105,7.46E-15,9.88E-51,2.61E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.22717292,7.645101813,1.599057233,16.7796363,2.780349883,3.514868251,4.950872349,7.888021632,2.80844294,2.124456183,0.491183687,0.242424535,1.34E-15,1.77E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.736256414,8.111926385,6.346423247,34.72044206,12.44356298,12.82026228,19.81699817,34.04927016,12.44340601,15.0272002,4.493347016,2.217715835,1.22E-14,1.62E-50,4.27E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.479146602,6.26800044,2.377196266,19.19004249,4.045896746,4.694578792,7.644214489,12.60072109,4.831239312,4.18619914,1.038760537,0.512683183,2.82E-15,3.74E-51,9.86E-109,5.04E-188,4.96E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,2.880138324,2.537816558,0.945364797,0.452615689,0.398819592,0.457044021,0.513294259,0.436711226,6.363319679,12.43120654,25.7044459,0.277152922,1.407049507,2.187800648,1.896265108,0.465062117,0.48092749,0.416841461,0.274102754,0.300607242,0.105709545,4.549127872,6.047994296,12.52650213,0.346653426,0.680419541,2.471430125,2.160260382,0.662265666,0.466839929,0.408061629,0.343538066,0.382164183,0.21435281,5.293956173,8.406342183,17.2360901,0.312352338,0.94005506,2.863850382,2.52282467,0.93410313,0.453085095,0.399131974,0.452211282,0.50775922,0.426371774,6.320778182,12.25670242,25.32636861,0.278325603,1.386342276,2.594117394,2.27391624,0.747367096,0.461964786,0.404942826,0.375924128,0.419835869,0.272970085,5.61540073,9.537013831,19.56098783,0.300361417,1.068730082,2.930864226,2.584480242,0.98042753,0.451195674,0.397871145,0.472260999,0.530697795,0.469695088,6.495771998,12.98215624,26.90443215,0.273600229,1.472653883,2.872767826,2.529717085,0.936495289,0.45319085,0.399073196,0.455013818,0.510505416,0.42860462,6.3389802,12.32669152,25.47145443,0.278396069,1.394123854 +UMLRON0178,L,"2,4-Dimethyl-3-ethylpentane",CCC(C(C)C)C(C)C,14040,,"Sandia, UML","[1], [9]",C9H20,PubChem,,105.3,0,0.8059,0.64947481,38.6257,29.17586,0,0,29,9,20,0,9,0,0,0,0,0,0,0,0,0,1318.698369,1396.254728,1797.896698,1465.014102,1096.052669,871.862212,675.105483,236.216736,27.433728,4433.327004,5682.867541,7945.134187,8607.966396,6934.677456,5088.618011,4081.819666,2624.766494,839.2610996,202.233924,202.676768,382.19428,507.821784,619.150388,374.86696,311.98206,249.049728,181.398528,33.9923581,44.5820862,66.18204716,78.18655917,69.12881345,48.10273616,39.0812073,28.04682987,12.00454843,4839.502245,4076.805803,8514.057329,11439.16616,15525.29949,9053.567731,7574.612576,6084.723595,4992.776605,46.5625,55.125,86.625,118.625,115.375,76,65.25,54,27,45.47235755,49.86624029,33.2943833,20.34741808,12.17836299,16.14559652,15.00234407,6.561576,1.016064,152.873345,202.9595551,147.1321146,119.5550888,77.05197173,94.23366687,90.70710369,72.9101804,31.08374443,6.973583586,7.238456,7.077671852,7.053080333,6.879448756,6.941980741,6.932934667,6.918048,6.718464,1.172150279,1.592217364,1.225593466,1.085924433,0.768097927,0.89079141,0.868471273,0.779078607,0.444612905,166.8793878,145.6002072,157.6677283,158.8773078,172.5033277,167.6586617,168.3247239,169.0200999,184.917652,1.605603448,1.96875,1.604166667,1.647569444,1.281944444,1.407407407,1.45,1.5,1,0.039758999,-0.007785034,0.005763874,-0.035911028,0.01516774,6.09E-04,0.002818288,-0.015115532,0.014573148,751.4441938,-57.58193056,36.85243556,-688.3919798,302.1611806,-13.24384403,-13.81966333,-256.5275006,314.8292053,1397.342566,-107.0760587,68.52867757,-1280.094282,561.8816181,-24.6274935,-25.69825409,-477.0238416,585.438351,0.147202759,-0.011279905,0.007219139,-0.134851263,0.059191301,-0.002594378,-0.002707177,-0.050251976,0.06167288,6.246771423,-0.478679803,0.306355074,-5.722617039,2.511872264,-0.110096355,-0.114883153,-2.13251852,2.61718182,33.93256151,-2.600196285,1.664125622,-31.08534658,13.64453,-0.598045145,-0.624047108,-11.58387445,14.21657319,3.715517241,-1.962395957,2.314209275,-3.817404875,1.294515458,-0.106049346,1.372473246,-2.207193817,1.254087396,0.001371,-2.78E-04,1.07E-04,-4.99E-04,1.69E-04,1.13E-05,6.26E-05,-4.20E-04,5.40E-04,25.91186875,-2.05649752,0.68245251,-9.56099972,3.357346451,-0.245256371,-0.30710363,-7.125763907,11.66034094,48.18422642,-3.824144954,1.269049585,-17.77908725,6.24312909,-0.456064695,-0.571072313,-13.25066227,21.68290189,0.005075957,-4.03E-04,1.34E-04,-0.001872934,6.58E-04,-4.80E-05,-6.02E-05,-0.001395888,0.002284181,0.215405911,-0.017095707,0.005673242,-0.079480792,0.027909692,-0.002038821,-0.002552959,-0.059236626,0.09693266,1.170088328,-0.092864153,0.030817141,-0.431740925,0.151605889,-0.01107491,-0.013867714,-0.32177429,0.526539748,0.128121284,-0.07008557,0.042855727,-0.053019512,0.014383505,-0.001963877,0.030499405,-0.061310939,0.046447681,-0.202798629,0.077854423,-0.363795973,0.122925201,0.008226536,0.045680979,-0.306255215,0.393687983,-0.079365079,0.026337449,-0.368981481,0.129567901,-0.009465021,-0.011851852,-0.275,0.45,-0.079365079,0.026337449,-0.368981481,0.129567901,-0.009465021,-0.011851852,-0.275,0.45,-0.079365079,0.026337449,-0.368981481,0.129567901,-0.009465021,-0.011851852,-0.275,0.45,-0.079365079,0.026337449,-0.368981481,0.129567901,-0.009465021,-0.011851852,-0.275,0.45,-0.079365079,0.026337449,-0.368981481,0.129567901,-0.009465021,-0.011851852,-0.275,0.45,-0.547025191,0.334493426,-0.413822828,0.112264759,-0.015328263,0.238051044,-0.478538283,0.362529002,1.735255936,1.002130298,1.519311707,0.646465895,0.909541448,0.883009181,1.302007609,9.26E-05,1.611111111,1.169547325,1.503703704,0.651604938,0.918930041,0.902222222,1.127777778,0,1.611111111,1.169547325,1.503703704,0.651604938,0.918930041,0.902222222,1.127777778,0,1.611111111,1.169547325,1.503703704,0.651604938,0.918930041,0.902222222,1.127777778,0,1.611111111,1.169547325,1.503703704,0.651604938,0.918930041,0.902222222,1.127777778,0,1.611111111,1.169547325,1.503703704,0.651604938,0.918930041,0.902222222,1.127777778,0,2.153132251,0.523330755,1.684470869,0.552113947,0.867856836,0.70649652,1.883990719,0,47.92689089,23.96344545,37.50156891,47.92689089,5.325210099,23.96344545,3.55E-14,0.154132467,0.01712583,-1.682948582,35.89791411,3.988657124,3.222611272,47.92689089,23.96344545,37.50156891,47.92689089,5.325210099,23.96344545,3.55E-14,0.154132467,0.01712583,-1.682948582,35.89791411,3.988657124,3.222611272,47.92689089,23.96344545,37.50156891,47.92689089,5.325210099,23.96344545,3.55E-14,0.154132467,0.01712583,-1.682948582,35.89791411,3.988657124,3.222611272,47.92689089,23.96344545,37.50156891,47.92689089,5.325210099,23.96344545,3.55E-14,0.154132467,0.01712583,-1.682948582,35.89791411,3.988657124,3.222611272,47.92689089,23.96344545,37.50156891,47.92689089,5.325210099,23.96344545,3.55E-14,0.154132467,0.01712583,-1.682948582,35.89791411,3.988657124,3.222611272,47.92689089,23.96344545,37.50156891,47.92689089,5.325210099,23.96344545,3.55E-14,0.154132467,0.01712583,-1.682948582,35.89791411,3.988657124,3.222611272,60.83995519,30.28849611,48.12025704,60.63542844,6.737269826,30.28849611,-0.262962963,0.125427182,0.013936354,-1.868426923,35.40215743,3.933573048,3.210095486,0,11.89,12.11013444,-0.159448839,0.061809525,5.16629211,8.825788897,8,28,28,28,8,0,0,0,0,0,21.86414,3.578354227,3.286597921,2.776749821,2.333552793,2.333552793,2.152144173,1.57017899,1.18440105,1.951498238,1.774858276,1.449184654,1.249629723,1.249629723,1.057839088,0.730986423,0.545419754,3.602722233,3.319952215,2.824756286,2.405454588,2.405454588,2.220940542,1.664903395,1.303639071,1.895510487,1.704693676,1.357415562,1.134540686,1.134540686,0.941693355,0.591409188,0.390630622,3.711358918,3.466244717,3.03266443,2.704236987,2.704236987,2.512106899,2.053280931,1.77464362,1.733319315,1.495315213,1.073286207,0.76031856,0.76031856,0.567538069,0.124915905,0.141231313,3.620756845,3.344515217,2.860001164,2.457539916,2.457539916,2.271117815,1.733299132,1.388602848,1.860066049,1.659727513,1.297694452,1.058262671,1.058262671,0.864942044,0.49792829,0.285974778,3.765080388,3.537053666,3.131134226,2.838982085,2.838982085,2.645618959,2.224639705,1.974667832,1.683612682,1.429269569,0.980628799,0.631337262,0.631337262,0.440379637,0.040486179,0.336663552,3.606898937,3.366416088,2.920933027,2.642252836,2.642252836,2.337013195,1.808146433,1.48780245,1.866251858,1.616712059,1.209401867,0.871761033,0.871761033,0.762987202,0.385383458,0.155644914,0,0,0,0,0,4,4,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.560660172,0.353553391,0,0,0.75,0.780330086,0.551776695,0.75,0.780330086,0.551776695,7.328427125,4.060660172,4.017766953,1.530330086,0.905330086,0.5,0.375,0,0.814269681,0.507582521,0.401776695,0.255055014,0.181066017,0.125,0.125,0,7.328427125,4.060660172,4.017766953,1.530330086,0.905330086,0.5,0.375,0,0.814269681,0.507582521,0.401776695,0.255055014,0.181066017,0.125,0.125,0,14.41827804,27.87836854,26.25490196,26.6,16.98554491,223.5398563,0.497182001,0.961323053,0.905341447,0.917241379,0.585708445,7.708270906,3.6128,43.597,23.96344545,37.50156891,47.92689089,5.325210099,23.96344545,0.154132467,0.01712583,-1.682948582,35.89791411,3.988657124,3.222611272,76,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,4,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.177222222,0,5.522013889,0,0,0,0,0,0,0,0,0,0.550763889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.252638889,0,1.343333333,0,0,0,0,0,0,0,0,0,0.550763889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.308194444,0,1.402777778,0,0,0,0,0,0,0,0,0,0.550763889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.25,1.694444444,0.2,2.308194444,0,0.550763889,6.761107847,0.699236111,0.308194444,2.354444444,0.699236111,0.308194444,2.354444444,4.5,0.5,0,0,0.42414,0.7,0.42414,0.42414,0.7,0,0,0,0,0.71429,0,0,0.44444,0,0.11111,4,0.44444,4,0.44444,0,0,-4,-0.44444,0,0,10.69874,1.18875,10.69874,0,0,4.06066,0.45118,4.06066,0,0,0.35334,0.03926,0.35334,0.03926,0,8,0,0,0,0,0,0,1,0.893571102,1.325616792,2.314034874,2.96853315,2.58934479,1.945304393,25.91356195,38.44288696,67.10701135,86.08746134,75.09099892,56.41382739,0.183938781,0.272874018,0.476336749,0.611063146,0.533008423,0.400434747,3.964409893,3.532364203,2.543946121,1.889447845,2.268636205,2.912676602,0.185875833,0.275747644,0.481353033,0.617498229,0.538621515,0.404651711,6.65913786,11.84368614,16.34411084,15.9595166,11.7332423,12.29097533,35.68332321,27.32073783,23.72936322,23.57623797,31.29687818,24.77098537,9,3.92,8,9,0,7,2.45,1.3767,1.732050808,5.345770332,0,2.67496122,3.965406457,0,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,3.853,10,6,5,4,3,0,0,0,0,45,2.197224577,2.397895273,1.945910149,1.791759469,1.609437912,1.386294361,0,0,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.5,8,1,1,3,6,1,3,0.666666667,0.375,0.24,0.166666667,0,0,0,0,0,0.375,0.066666667,0.0625,0.048,0.041666667,0,0,0,0,0,0.593833333,23.96344545,37.50156891,47.92689089,5.325210099,23.96344545,0.154132467,0.01712583,-1.682948582,35.89791411,3.988657124,3.222611272,0,164.2203203,4.169925001,3.610917913,4.234106505,5.043425117,5.693732139,6.514712691,7.17395832,8.000014094,8.66302364,9.491677357,75.42556777,2.833213344,0,4.043051268,0,5.398162702,0,6.816735881,0,8.267962305,8.538954683,128.1565006,4.419189677,16.43623173,1.82624797,0,0,0,104,6,5.437,36,1.230142857,2.121349563,2.913485006,3.481061213,4.49798108,5.584722509,6.518510927,7.478183071,0,0,72.40063676,80.54932465,66.48457976,53.08654744,87.83975635,97.45167185,46.43442165,7.598312604,0,0,275.5059647,340.3496337,367.456183,301.9953927,475.301339,550.5383745,502.8914606,232.4499314,0,0,8.939719117,15.07778393,20.58661234,24.03735772,31.37364934,38.83802496,45.22719334,50.24190375,0,0,2.098837641,2.771904304,3.276228214,2.889773366,4.345030179,5.133516887,5.29934135,3.324896698,0,0,176.9060838,329.9031207,460.2704491,593.8608525,742.954088,931.1597313,1091.259304,1382.848055,0,0,2.471263393,3.550009853,4.878596698,4.620287909,6.613400034,8.401588967,10.10800793,7.478183071,0,0,0.435567857,0.583208226,0.699302419,0.626735989,0.933590093,1.106944236,1.161410306,0.765765947,0,0,423.0841731,208.6115269,10.27886454,157.4948465,-77.65651021,-9.514352714,265.5893266,286.2680371,19.79321725,0.728727975,0.359316337,0.017704506,0.271272025,-0.133757004,-0.016387696,245.6337945,121.1154758,5.967693098,91.43820359,-45.08574057,-5.523833571,0.054828761,0.132386549,0.76050366,8.618193384,580.5790197,0,1,0,496.6525532,22.28570289,7.919253116,690.3932748,26.27533586,8.838234442,862.6989968,29.37173806,9.519623323,1.99023833,1.896459864,868.9062818,859.4468741,134.3341125,1.01100639,6.468247459,6.39783044,4.773232902,4.466158665,8.836778877,0.978608361,5.578011069,7.58828792,3.37486961,30.06848493,8.072949869,6.420950138,7.648064934,14.43758131,11.00749151,5.91789572,5.586532815,7.354565918,5.969217856,6.740261725,3.036606853,0.280810174,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.468123816,7.587802768,0.195900463,10.64387599,1.055322956,0.180606765,0.604392179,0.697647036,3.32659568,0.247093157,0.050156792,1.263811973,0.358293224,1.051075197,0.116709126,0.001977835,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.511160743,7.587835974,0.689934111,13.03454379,1.545087821,0.818986981,1.578922821,2.510360993,4.54413074,0.961633733,0.436474536,1.917399917,1.250618102,1.676892681,0.467770558,0.020610049,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,5.265187433,7.588234933,3.125470447,28.32238592,7.309845972,5.814134873,7.052979798,13.24553118,10.4133482,5.414017665,4.984477014,6.773090458,5.536223549,6.202543395,2.771196923,0.250196855,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,2.227172895,7.587878314,1.075054375,15.14310722,2.161197965,1.445880449,2.385451062,4.049247806,5.483941572,1.583676672,0.922511641,2.541151232,1.938287479,2.265487935,0.781494528,0.044767616,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,6.73625619,7.588510546,4.360486649,37.16586536,11.27703275,8.922941456,10.03746684,19.24962838,13.34804357,7.961468136,8.114430664,9.744361849,7.674018597,8.946274671,4.11769161,0.409535031,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,3.49701269,6.3180699,1.498536459,19.7913239,3.548983654,2.836732872,3.587457636,6.570525772,7.185508188,2.724224,1.979943464,4.35432438,3.180488466,3.925919281,1.489472873,0.09780465,0.048527419,5.50E-20,1.20E-59,5.06E-121,4.11E-204,0.00E+00,0,0,0,0,0,0,0,0,7.147796621,1.062425332,0.9731367,0.778342314,0.11569028,0.532651572,0.482814882,0.458486945,9.183358653,15.58366849,32.15702743,0.667513471,1.4739534,6.219651609,0.561098745,0.487106314,0.855775216,0.077202781,0.403181504,0.134569045,0.114875335,7.267856668,6.792785024,15.76056416,0.783662824,0.652625885,6.600673364,0.766955895,0.686649265,0.819523852,0.095223414,0.454147224,0.251523164,0.228270185,8.054278524,10.12140256,21.65179173,0.729285779,0.933940573,7.126029175,1.050672694,0.961739636,0.779786047,0.114972853,0.529408396,0.472187856,0.44781053,9.138441504,15.35098255,31.69008822,0.66967907,1.449406781,6.76512559,0.855782216,0.77276575,0.805979116,0.101955623,0.477084247,0.31319804,0.289117915,8.393673556,11.67865071,24.54623162,0.708968673,1.079400202,7.215570128,1.099016109,1.008621289,0.773936449,0.117879614,0.542812905,0.516657939,0.492533226,9.323207526,16.31629649,33.63789889,0.660904674,1.55200407,7.14651738,1.05316891,0.965253725,0.779766956,0.114912799,0.532467002,0.47444468,0.451089008,9.164940016,15.44126766,31.87118011,0.669650434,1.45800069 +UMLRON0179,L,"2,2-Dimethylheptane",CCCCCC(C)(C)C,14062,,"Sandia, UML",[1],C9H20,PubChem,,50.3,0,1.4799,2.19010401,47.6934,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2005.6539,1927.005539,1398.377407,899.0389,368.373769,65.70144,3.048192,4670.34144,5841.481647,7855.078337,8160.663239,6925.542097,5153.07416,2933.54678,987.3701208,93.25123329,169.463656,175.052008,300.821808,362.461772,360.770236,335.75368,249.472612,142.684416,20.155392,34.11358067,43.47862034,61.52167806,66.52356413,59.82214137,47.44185294,29.72218556,12.01259662,1.333838715,3856.790689,3411.659229,6369.569539,7932.976182,8038.288948,7848.676506,6058.395404,3756.090275,554.7529561,48.05555556,58.52777778,85.83333333,97.83333333,93,80,55.5,25,3,60.70275442,67.17251842,47.75366429,37.78442233,27.41916484,18.72997708,10.23260469,3.12864,1.016064,194.59756,243.3950686,187.0256747,160.0130047,135.7949431,107.3557117,81.48741055,47.0176248,31.08374443,7.060985667,7.293833667,7.162424,7.107093569,7.073926196,6.994868333,6.929794778,6.794496,6.718464,1.421399194,1.811609181,1.464801859,1.30438361,1.172983164,0.988371936,0.825616265,0.572028411,0.444612905,160.6996121,142.1524679,151.6564176,155.5485526,157.6135088,163.5140939,168.2887612,178.8614417,184.917652,2.002314815,2.438657407,2.043650794,1.918300654,1.823529412,1.666666667,1.541666667,1.19047619,1,0.050443125,-7.69E-04,-0.011744223,-0.008864874,-0.015099094,3.25E-04,-0.002637454,0.009309062,0.00425944,706.2183858,-4.97E-14,15.13325112,-68.09963006,-350.5869844,-171.5101794,-80.71067267,239.6098095,63.05521302,1313.243245,2.42E-13,28.14092668,-126.6341701,-651.9314681,-318.9305024,-150.0849423,445.5646724,117.2538612,0.138343333,2.24E-15,0.0029645,-0.01334025,-0.068677583,-0.033597667,-0.015810667,0.046937917,0.012352083,5.870808328,1.35E-14,0.125803036,-0.56611366,-2.914436992,-1.425767737,-0.670949523,1.991881397,0.524179315,31.89032402,-1.08E-13,0.683364086,-3.075138387,-15.83126799,-7.744792975,-3.644608459,10.81993136,2.847350359,4.49537037,-0.300925926,0.621527778,-0.233217593,-2.147569444,-0.608796296,-1.083333333,1.142939815,0.361689815,0.002101797,-3.20E-05,-2.80E-04,-1.74E-04,-2.96E-04,6.76E-06,-7.33E-05,4.43E-04,0.001419813,29.42576608,-2.07E-15,0.360315503,-1.335286864,-6.874254596,-3.573128738,-2.24196313,11.40999093,21.01840434,54.71846854,1.01E-14,0.670022064,-2.483022942,-12.78296996,-6.644385466,-4.169026175,21.21736535,39.08462039,0.005764306,9.34E-17,7.06E-05,-2.62E-04,-0.001346619,-7.00E-04,-4.39E-04,0.002235139,0.004117361,0.244617014,5.62E-16,0.00299531,-0.011100268,-0.057145823,-0.029703495,-0.018637487,0.094851495,0.174726438,1.328763501,-4.51E-15,0.016270573,-0.060296831,-0.310417019,-0.161349854,-0.101239124,0.515234827,0.949116786,0.187307099,-0.01253858,0.01479828,-0.004572894,-0.042109205,-0.012683256,-0.030092593,0.054425705,0.120563272,-0.015247073,-0.13304062,-0.082701171,-0.140860741,0.003218388,-0.034857137,0.210909376,0.675523564,-7.04E-17,0.012244898,-0.045378151,-0.233613445,-0.121428571,-0.076190476,0.387755102,0.714285714,1.84E-16,0.012244898,-0.045378151,-0.233613445,-0.121428571,-0.076190476,0.387755102,0.714285714,1.62E-14,0.012244898,-0.045378151,-0.233613445,-0.121428571,-0.076190476,0.387755102,0.714285714,2.30E-15,0.012244898,-0.045378151,-0.233613445,-0.121428571,-0.076190476,0.387755102,0.714285714,-3.40E-15,0.012244898,-0.045378151,-0.233613445,-0.121428571,-0.076190476,0.387755102,0.714285714,-0.066941298,0.079005444,-0.024413885,-0.224813715,-0.067713697,-0.160659114,0.290569369,0.643666323,1.110559694,1.079046109,1.033609998,1.106873667,0.987633917,0.977801274,0.534577847,0.342851724,1.15,1.032653061,1.043697479,1.198319328,1.026785714,0.930952381,0.375510204,0,1.15,1.032653061,1.043697479,1.198319328,1.026785714,0.930952381,0.375510204,0,1.15,1.032653061,1.043697479,1.198319328,1.026785714,0.930952381,0.375510204,0,1.15,1.032653061,1.043697479,1.198319328,1.026785714,0.930952381,0.375510204,0,1.15,1.032653061,1.043697479,1.198319328,1.026785714,0.930952381,0.375510204,0,1.237641607,0.851037222,0.965590356,1.189919428,1.017057158,1.154737384,0.487273797,0,41.58133348,20.79066674,30.88396902,41.58133348,4.158133348,20.79066674,-3.55E-15,0.343210611,0.034321061,-1.069410993,50.67483704,5.067483704,3.925429477,41.58133348,20.79066674,30.88396902,41.58133348,4.158133348,20.79066674,-3.55E-15,0.343210611,0.034321061,-1.069410993,50.67483704,5.067483704,3.925429477,41.58133348,20.79066674,30.88396902,41.58133348,4.158133348,20.79066674,-3.55E-15,0.343210611,0.034321061,-1.069410993,50.67483704,5.067483704,3.925429477,41.58133348,20.79066674,30.88396902,41.58133348,4.158133348,20.79066674,-3.55E-15,0.343210611,0.034321061,-1.069410993,50.67483704,5.067483704,3.925429477,41.58133348,20.79066674,30.88396902,41.58133348,4.158133348,20.79066674,-3.55E-15,0.343210611,0.034321061,-1.069410993,50.67483704,5.067483704,3.925429477,41.58133348,20.79066674,30.88396902,41.58133348,4.158133348,20.79066674,-3.55E-15,0.343210611,0.034321061,-1.069410993,50.67483704,5.067483704,3.925429477,49.57322175,24.44753111,37.63931912,49.51544397,4.951544397,24.44753111,-0.144444444,0.464638481,0.046463848,-0.766495636,43.74522505,4.374522505,3.778382465,0,11.89,12.11015511,-0.153431537,0.066850032,5.365885795,9.07275657,10,24,21,18,4,3,0,0,0,6,15.304898,3.819135796,3.218956785,2.873216398,2.659253566,2.234883716,1.889669448,1.340185499,0.75850127,2.006267786,1.710601517,1.412034298,1.227263592,0.965568703,0.726507286,0.565128153,0.240139065,3.829980329,3.251854843,2.90459278,2.691703552,2.292558433,1.953149486,1.445821903,0.883777186,1.97443186,1.639705692,1.32781418,1.136417638,0.87290032,0.612049312,0.428152823,0.072631299,3.880091584,3.398190817,3.053912906,2.846072253,2.53167785,2.217278931,1.870238796,1.399057605,1.890643507,1.427541901,1.085638563,0.879151351,0.57626893,0.267126996,0.053223591,0.50844395,3.838088528,3.276213992,2.928356597,2.716225378,2.334353227,1.99914596,1.521627788,0.975638144,1.955124687,1.594151037,1.27433313,1.07898983,0.812166755,0.5389367,0.334430502,0.041057697,3.906201246,3.469773035,3.132187444,2.927963742,2.638638551,2.337477957,2.052299642,1.618810207,1.86698076,1.360959524,1.014474106,0.80514139,0.473546112,0.152706351,0.230817901,0.723384753,3.8581751,3.256562575,3.000596054,2.7686361,2.408075963,2.048039893,1.569203744,1.102522614,1.946184151,1.581274313,1.175416239,1.019577854,0.71243611,0.470254806,0.251444496,0.179263047,0,0,0,4,2,2,2,0,0,0,0,0,0.083333333,0.142258898,0,0,0,0.027777778,0.047419633,0.402368927,0,0.11785113,0,0.24639964,0,0.058925565,0,1.020220057,1.359475708,1.589255651,0.560810726,0.664090454,0.684878051,7.397341225,4.842535255,3.810495725,2.948584704,2.192705341,1.561834874,0.601007552,0.273353247,0.739734123,0.484253526,0.31754131,0.210613193,0.146180356,0.104122325,0.075125944,0.054670649,6.723614639,3.888010441,2.676484623,1.7805929,1.15992621,0.713920452,0.236452494,0.099253672,0.672361464,0.388801044,0.223040385,0.127185207,0.077328414,0.047594697,0.029556562,0.019850734,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.66712,44.077,43.99698258,63.66189698,87.99396516,8.799396516,43.99698258,0.07820127,0.007820127,-2.548469389,51.36653868,5.136653868,3.938986962,90,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,4,0,0,0,0,0,0,0,0,2,0,2,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.49111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.59038407,0,0.899893707,0,0,1.59038407,0,0,0,0,0,0,0,0,4.386342593,0,2.45587963,0,0,8.579675926,0,0,0,0,2.911435185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.420694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.25461593,0,0,0.380972222,0,0,0,0,0,0,0,0,2.17162037,0,1.214953704,0,0,2.091759259,0,0,0,0,1.420694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.207175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.412328515,0,0.359305556,0,0,0.412328515,0,0,0,0,0,0,0,0,2.214722222,0,1.240925926,0,0,2.207175926,0,0,0,0,1.490740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.33333333,1.833333333,0.412328515,2.214722222,0.116319444,1.214953704,6.22624412,0.285046296,0.214722222,1.932037037,0.285046296,0.214722222,1.932037037,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.78841,0.67884,11.53787,4.74946,0.47495,2.80382,0.28038,4.84252,2.0387,0.20387,0.07148,0.00715,0.15748,0.01575,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.450825795,3.522055209,3.772055209,3.938721876,4.022055209,23.51685016,58.81981907,84.52932501,90.52932501,94.52932501,96.52932501,0.213713581,0.534535625,0.768175358,0.822701431,0.859052146,0.877227504,3.605093744,2.134136706,1.062907292,0.812907292,0.646240625,0.562907292,0.206076118,0.515432972,0.740723142,0.793300621,0.828352274,0.845878101,6.772325919,18.88939319,22.71704875,23.88501959,24.96900501,25.05299043,37.92632204,25.4957267,19.21566459,17.3948625,15.88696771,15.67155417,8.1,4,2.285714286,3,6,3,2.56,1.28,0.2,3.783322213,1.807204007,0,6.631975708,6.447419591,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.894,12,14,15,15,8,5,3,1,0,93,2.63905733,3.113515309,3.576550269,3.986666548,4.376542876,3.876395828,3.523599363,3.168897455,2.151035195,0,5.775230663,3.453965054,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,0,3,6,1,1.5,1.111111111,0.5,0.342222222,0.090277778,0.04,0,0,0,0,0.15,0.092592593,0.045454545,0.048888889,0.022569444,0.04,0,0,0,0,0.399505471,25.05404507,36.52774608,50.10809014,5.010809014,25.05404507,0.163926116,0.016392612,-1.808339466,78.23766948,7.823766948,4.359751238,0,150.3504702,4.321928095,3.80666249,4.574710979,5.370638028,6.163314804,6.965080346,7.764296006,8.566935283,9.368113056,10.17080109,82.75055208,3.044522438,0,4.234106505,0,5.65248918,0,7.177018766,0,8.74687532,8.984818996,134.1095504,5.587897935,19.5566863,1.95566863,0,0,0,121,11,3.899,44,1.235929323,2.15592806,2.978978431,3.776351665,4.526701346,5.091413778,5.854687643,7.865256659,0,0,92.76161773,112.8305355,121.9935193,112.8730644,92.43717631,59.08207985,20.6553927,7.991604142,0,0,323.5789178,429.9196926,503.3917417,542.6483259,506.3503709,443.0336517,292.9090023,244.4816279,0,0,9.045833162,15.49612991,21.23150112,26.79414207,31.70393829,35.37931526,39.8638034,52.84244372,0,0,2.362509317,3.316419763,4.048091576,4.62145036,4.59398452,4.400338242,3.490070162,3.496994611,0,0,173.7497847,323.1334496,459.1018046,589.224458,737.3719024,849.3745013,1040.474906,1454.424794,0,0,3.104139972,4.555211549,5.882965407,7.120382494,7.699277022,8.113371755,7.180683815,7.865256659,0,0,0.486472119,0.690619145,0.849651637,0.979191323,0.984976337,0.956950737,0.781977088,0.805402282,0,0,288.736974,148.8811689,11.11913595,99.94381434,-51.53393311,-5.327924753,188.7931597,200.415102,16.4470607,0.742864023,0.383042263,0.028607372,0.257135977,-0.132586777,-0.013707713,112.2265147,57.86725011,4.321794527,38.84624055,-20.03024975,-2.070861993,0.12031327,0.126021042,2.930395144,1.093840944,388.6807883,0,1,0,729.0594248,27.00110044,9.00024454,865.5271791,29.41984329,9.530014688,1273.962702,35.69261411,10.84057299,1.601961449,1.601961449,699.4996104,559.6571406,187.4700188,1.24987168,3.731261217,2.985315435,4.429250776,4.443439901,7.963231373,0.792132121,4.231360714,4.770792545,3.931231765,13.62715464,4.656274719,6.718748045,6.371672204,11.42413787,6.718750154,2.976986439,4.997391003,2.07491926,1.732791107,1.271591476,1.718141754,4.99E-13,2.93E-47,3.44E-103,8.03E-181,3.70E-280,0,0,0,0,0,0,0,0,0,0,0.355218392,4.768841843,0.290316793,5.68381596,1.792421396,1.291054194,0.659700934,1.820761016,0.643802611,0.168186277,1.119355802,0.32148526,0.082699695,0.068488127,0.012101013,3.52E-15,2.06E-49,2.42E-105,5.65E-183,2.61E-282,0,0,0,0,0,0,0,0,0,0,1.146421676,4.768972648,0.962633172,6.542438476,2.00772927,2.009844408,1.781383476,3.445756274,1.392086082,0.555711701,1.757334407,0.602325408,0.308293652,0.246277366,0.126101884,3.67E-14,2.15E-48,2.52E-104,5.89E-182,2.72E-281,0,0,0,0,0,0,0,0,0,0,3.994066058,4.770578536,3.683265398,12.87102204,4.350317718,6.248811523,6.006334323,10.7176226,6.172883893,2.739300081,4.705637963,1.940309373,1.592426015,1.173956564,1.53083337,4.45E-13,2.61E-47,3.06E-103,7.15E-181,3.30E-280,0,0,0,0,0,0,0,0,0,0,1.689557927,4.76914183,1.44520065,7.358341757,2.26517399,2.61880849,2.564522881,4.660809822,2.051767854,0.87690676,2.240897021,0.817997969,0.4961818,0.3884523,0.273910142,7.96E-14,4.66E-48,5.48E-104,1.28E-181,5.91E-281,0,0,0,0,0,0,0,0,0,0,5.109956015,4.771692323,4.87780717,16.73316441,5.937420824,8.615010641,7.742129119,14.17471119,8.937368378,3.931667634,6.13932302,2.604277482,2.297176196,1.660319128,2.505748275,7.28E-13,4.27E-47,5.01E-103,1.17E-180,5.40E-280,0,0,0,0,0,0,0,0,0,0,2.351929816,4.17223684,1.982031101,8.037011295,2.339222792,3.149749966,3.60038266,6.125392983,2.893473407,1.255698939,3.021217193,1.190408907,0.788354275,0.608710575,0.511182671,1.49E-13,8.71E-48,1.02E-103,2.39E-181,1.10E-280,0,0,0,0,0,0,0,0,0,0,5.135780444,2.021819088,0.464666531,0.673786562,0.265251707,0.489277819,0.449268244,0.386340818,7.622266064,13.70951588,26.15670214,0.510679843,1.324886881,4.176456555,1.225645965,0.177713613,0.74849358,0.219657052,0.323943172,0.167393477,0.056664552,5.579816133,6.07888428,12.56839101,0.622740371,0.548001201,4.516170387,1.50938266,0.279698508,0.716255386,0.239385003,0.378453587,0.252766399,0.140225985,6.305251555,8.501967469,16.71382006,0.574383079,0.77144597,5.107387529,1.998471671,0.456217719,0.675394813,0.264275502,0.483873781,0.439157482,0.372449133,7.56207692,13.44878817,25.66746534,0.51309222,1.295480396,4.683754934,1.648604546,0.329853422,0.703032912,0.247455999,0.406965944,0.300829321,0.19493257,6.662212902,9.81041012,19.01963889,0.554549367,0.902727835,5.226527889,2.096358062,0.491653597,0.668820966,0.268263798,0.506761364,0.482274509,0.432409106,7.814539548,14.5569971,27.75842477,0.503231449,1.42144498,5.119292638,2.001994794,0.455436324,0.675660457,0.264229614,0.486121031,0.440867898,0.371236826,7.576723756,13.49209018,25.73648847,0.513490686,1.298225754 +UMLRON0180,L,1-methyl-2-n-propylbenzene,CCCC1=CC=CC=C1C,14091,,"Sandia, UML",[1],C10H14,PubChem,,100.3,0,1.4799,2.19010401,47.6934,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2005.6539,1805.93953,1331.831263,889.894324,489.439778,132.247584,12.192768,4670.34144,5841.481647,7855.078337,7935.535825,6423.624866,4873.320461,3158.674193,1489.287352,373.0049332,169.463656,175.052008,300.821808,362.438056,358.375228,275.287504,249.496328,145.079424,80.621568,34.11358067,43.47862034,61.52167806,65.51713985,55.80855294,43.4403368,30.72860984,16.02618505,5.335354858,3856.790689,3411.659229,6369.569539,7927.509269,8229.059574,6184.417637,6063.862316,3565.319649,2219.011824,48.05555556,58.41666667,86.44444444,99,87.66666667,70.16666667,54,31,12,60.70275442,67.17251842,47.75366429,35.41057902,26.11433849,22.81780318,13.59554939,6.297504,1.016064,194.59756,243.3950686,187.0256747,155.5987417,125.9534287,124.9569349,87.74094981,70.91844535,31.08374443,7.060985667,7.293833667,7.162424,7.106628549,7.026965255,7.058653949,6.930453556,6.908544,6.718464,1.421399194,1.811609181,1.464801859,1.284649801,1.094285352,1.11385479,0.853572496,0.763151669,0.444612905,160.6996121,142.1524679,151.6564176,155.4413582,161.3541093,158.5748112,168.4406199,169.7771262,184.917652,2.002314815,2.434027778,2.058201058,1.941176471,1.718954248,1.799145299,1.5,1.476190476,1,0.050409278,-3.78E-04,-0.009965724,-0.020913507,0.003068646,-0.010824436,0.008042247,-0.004252593,0.010018581,706.2183858,-4.97E-14,15.13325112,-189.1656391,-47.9219619,-360.6758185,40.35533633,-63.05521302,252.2208521,1313.243245,2.42E-13,28.14092668,-351.7615835,-89.11293449,-670.6920859,75.04247115,-117.2538612,469.0154447,0.138343333,2.24E-15,0.0029645,-0.03705625,-0.009387583,-0.070653917,0.007905333,-0.012352083,0.049408333,5.870808328,1.34E-14,0.125803036,-1.572537945,-0.398376279,-2.998305682,0.335474762,-0.524179315,2.09671726,31.89032402,-1.08E-13,0.683364086,-8.542051076,-2.163986273,-16.28684405,1.822304229,-2.847350359,11.38940143,4.49537037,-0.412037037,1.232638889,-1.76099537,-0.071180556,-2.527199074,0.784722222,-0.940393519,1.446759259,0.002100387,-1.57E-05,-2.37E-04,-4.10E-04,6.02E-05,-2.78E-04,2.23E-04,-2.03E-04,8.35E-04,29.42576608,-2.07E-15,0.360315503,-3.709130178,-0.939646312,-9.24809791,1.120981565,-3.002629191,21.01840434,54.71846854,1.01E-14,0.670022064,-6.897285951,-1.747312441,-17.19723297,2.084513087,-5.583517198,39.08462039,0.005764306,9.34E-17,7.06E-05,-7.27E-04,-1.84E-04,-0.001811639,2.20E-04,-5.88E-04,0.004117361,0.244617014,5.57E-16,0.00299531,-0.030834077,-0.0078113,-0.076879633,0.009318743,-0.02496092,0.174726438,1.328763501,-4.51E-15,0.016270573,-0.167491198,-0.042431103,-0.417611386,0.050619562,-0.135588112,0.949116786,0.187307099,-0.01716821,0.029348545,-0.034529321,-0.001395697,-0.064799976,0.02179784,-0.044780644,0.120563272,-0.007495694,-0.112969274,-0.195234904,0.028646882,-0.132142174,0.106359355,-0.096412923,0.397489558,-7.04E-17,0.012244898,-0.12605042,-0.031932773,-0.314285714,0.038095238,-0.102040816,0.714285714,1.84E-16,0.012244898,-0.12605042,-0.031932773,-0.314285714,0.038095238,-0.102040816,0.714285714,1.62E-14,0.012244898,-0.12605042,-0.031932773,-0.314285714,0.038095238,-0.102040816,0.714285714,2.28E-15,0.012244898,-0.12605042,-0.031932773,-0.314285714,0.038095238,-0.102040816,0.714285714,-3.40E-15,0.012244898,-0.12605042,-0.031932773,-0.314285714,0.038095238,-0.102040816,0.714285714,-0.091658084,0.156686774,-0.184346035,-0.007451384,-0.345955795,0.116374871,-0.239076063,0.643666323,1.102052993,1.067501458,1.172877071,1.00503373,1.159428199,0.802651878,0.878078252,0.090783787,1.15,1.032653061,1.121008403,0.966386555,1.263736264,0.821428571,0.93877551,0,1.15,1.032653061,1.121008403,0.966386555,1.263736264,0.821428571,0.93877551,0,1.15,1.032653061,1.121008403,0.966386555,1.263736264,0.821428571,0.93877551,0,1.15,1.032653061,1.121008403,0.966386555,1.263736264,0.821428571,0.93877551,0,1.15,1.032653061,1.121008403,0.966386555,1.263736264,0.821428571,0.93877551,0,1.261328527,0.776592614,1.216393045,0.901496335,1.361086905,0.734294542,1.218184493,0,42.49716564,21.24858282,31.97869994,42.49716564,4.249716564,21.24858282,1.78E-14,0.313642186,0.031364219,-1.159502477,64.28373734,6.428373734,4.163306681,42.49716564,21.24858282,31.97869994,42.49716564,4.249716564,21.24858282,1.78E-14,0.313642186,0.031364219,-1.159502477,64.28373734,6.428373734,4.163306681,42.49716564,21.24858282,31.97869994,42.49716564,4.249716564,21.24858282,1.78E-14,0.313642186,0.031364219,-1.159502477,64.28373734,6.428373734,4.163306681,42.49716564,21.24858282,31.97869994,42.49716564,4.249716564,21.24858282,1.78E-14,0.313642186,0.031364219,-1.159502477,64.28373734,6.428373734,4.163306681,42.49716564,21.24858282,31.97869994,42.49716564,4.249716564,21.24858282,1.78E-14,0.313642186,0.031364219,-1.159502477,64.28373734,6.428373734,4.163306681,42.49716564,21.24858282,31.97869994,42.49716564,4.249716564,21.24858282,1.78E-14,0.313642186,0.031364219,-1.159502477,64.28373734,6.428373734,4.163306681,49.50098803,24.57234549,38.10214282,49.41432136,4.941432136,24.57234549,-0.144444444,0.453533467,0.045353347,-0.790686214,45.49125606,4.549125606,3.817520133,0,11.89,12.11015511,-0.155069713,0.065325025,5.326588782,8.758382099,10,24,21,18,4,3,0,0,0,6,15.304898,3.814766835,3.242334367,2.859922939,2.657092701,2.115275973,2.025460251,1.358286674,0.857818992,2.004274413,1.721102684,1.407326514,1.21059506,0.908357655,0.801969161,0.614315438,0.273185193,3.825848498,3.273766864,2.892461142,2.688875318,2.17812496,2.085055627,1.464356041,0.975480083,1.972238224,1.651158414,1.322784657,1.121493865,0.809194317,0.699835244,0.468185024,0.109557299,3.876865854,3.414866218,3.045795676,2.839198792,2.438749282,2.333788795,1.892593939,1.459575848,1.887572754,1.443384161,1.07810951,0.871291461,0.487371345,0.380698576,0.029629251,0.452146252,3.834123885,3.297114901,2.917023111,2.712843487,2.223663621,2.128304409,1.540569529,1.060893055,1.952777988,1.606336218,1.268986377,1.065411919,0.743750697,0.63345123,0.36959266,0.001136236,3.903338781,3.48452479,3.125388314,2.918630781,2.555350394,2.446732324,2.078035059,1.669891306,1.863546069,1.378787887,1.005510081,0.79945011,0.375364562,0.272950348,0.209778263,0.656663852,3.858051735,3.269802709,2.98306771,2.768626534,2.302175771,2.191847822,1.585464726,1.18481183,1.936701926,1.600592235,1.185238105,0.992601746,0.654887141,0.541300548,0.288382626,0.137566034,0,0,0,4,2,2,2,0,0,0,0,0,0.083333333,0.142258898,0,0,0,0.027777778,0.047419633,0.49279928,0,0,0,0.284517797,0,0,0,0.777317077,1.214203801,1.302192015,0.389858658,0.550069345,0.516687165,7.397341225,4.825698503,3.926478174,2.741921546,2.230162819,1.467804161,0.788948797,0.260110029,0.739734123,0.48256985,0.327206515,0.210917042,0.148677521,0.097853611,0.07889488,0.052022006,6.723614639,3.882027377,2.739052883,1.621159417,1.15632585,0.648383183,0.338920452,0.099946561,0.672361464,0.388202738,0.228254407,0.124704571,0.07708839,0.043225546,0.033892045,0.019989312,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.66712,44.077,43.41608314,61.65545589,86.83216628,8.683216628,43.41608314,0.08055398,0.008055398,-2.518827754,51.73092445,5.173092445,3.946055754,92,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,4,0,0,0,0,0,0,0,0,2,0,2,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.53509259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.557397959,0,0.899893707,0,0,1.557397959,0,0,0,0,0,0,0,0,4.348703704,0,2.449537037,0,0,8.707824074,0,0,0,0,2.827268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.36662037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368819444,0,0.25461593,0,0,0.368819444,0,0,0,0,0,0,0,0,2.138055556,0,1.21,0,0,2.125324074,0,0,0,0,1.36662037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.253472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401805556,0,0.359305556,0,0,0.401805556,0,0,0,0,0,0,0,0,2.210648148,0,1.239537037,0,0,2.253472222,0,0,0,0,1.460648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.33333333,1.833333333,0.401805556,2.253472222,0.128472222,1.21,6.228409954,0.300046296,0.253472222,2.113055556,0.300046296,0.253472222,2.113055556,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.67225,0.66722,11.45289,4.78064,0.47806,2.8029,0.28029,4.82569,2.02278,0.20228,0.08831,0.00883,0.17431,0.01743,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.450825795,3.605388542,3.938721876,3.938721876,3.819773835,23.51685016,58.81981907,86.52932501,94.52932501,94.52932501,91.67457204,0.213713581,0.534535625,0.786350715,0.859052146,0.859052146,0.833109068,3.605093744,2.134136706,0.979573959,0.646240625,0.646240625,0.765188666,0.206076118,0.515432972,0.758248968,0.828352274,0.828352274,0.803336321,6.772325919,18.88939319,23.71704875,24.96900501,24.05299043,24.8491262,37.92632204,25.4957267,17.92318334,15.88696771,16.96403542,16.30638792,8.1,4,2.650887574,3,6,3,2.56,1.28,0.166666667,3.820639317,1.54438958,0,6.631975708,6.83080311,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.894,12,13,15,15,10,5,3,0,0,93,2.63905733,3.113515309,3.533686565,4.000491653,4.385925275,4.017508513,3.446011397,3.056356895,0,0,5.758507374,3.396505376,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,0,3,6,1,2,0.666666667,0.5,0.342222222,0.145833333,0.04,0,0,0,0,0.2,0.055555556,0.05,0.048888889,0.036458333,0.02,0,0,0,0,0.410902778,25.67725691,38.24716212,51.35451383,5.135451383,25.67725691,0.148319865,0.014831986,-1.90838409,72.98542395,7.298542395,4.290259749,0,150.3504702,4.321928095,3.80666249,4.553876892,5.351858133,6.120297419,6.926577033,7.700295203,8.508555998,9.283683766,10.09249504,82.34430198,3.044522438,0,4.234106505,0,5.631211782,0,7.126890809,0,8.667507952,8.913415718,134.1095504,5.587897935,19.55769021,1.955769021,0,0,0,124,10,3.899,44,1.235929323,2.155869164,2.983866796,3.763475769,4.816253605,5.635897009,6.455496352,7.474539625,0,0,92.76161773,113.0710352,115.1278472,113.0020691,119.7737729,84.27610833,43.43898196,7.59461063,0,0,323.5789178,430.4765204,490.6137046,519.4153439,631.421459,518.9299251,478.8228611,232.3366794,0,0,9.045833162,15.49648256,21.26202916,26.56218394,34.06893401,39.12506725,44.69833009,50.21742539,0,0,2.362509317,3.319412036,3.991742478,4.405562361,5.549473217,4.967598417,5.094522357,3.323276775,0,0,173.7497847,323.0763772,459.7742719,598.6848028,758.4284593,944.4331279,1088.010401,1382.174317,0,0,3.095675909,4.599593519,5.945328211,6.768949642,8.860490868,8.647323656,9.780688373,7.474539625,0,0,0.486472119,0.691193636,0.839364596,0.933873356,1.181863742,1.075515097,1.118589249,0.765392858,0,0,302.1429353,155.9370964,10.94467685,97.86820334,-50.51014497,-5.116722806,204.2747319,206.4472414,16.06139966,0.755336305,0.389831886,0.02736093,0.244663695,-0.126271846,-0.012791451,120.8605396,62.3765755,4.37799265,39.14837145,-20.2046206,-2.046746115,0.120694452,0.125905343,1.420444519,1.116594015,400.0111386,0,1,0,729.0594248,27.00110044,9.00024454,865.5271791,29.41984329,9.530014688,1245.533283,35.29211361,10.75932714,1.821609901,1.610641275,794.7693573,645.2088844,193.8565622,1.231801633,4.09978052,3.328279823,4.65901067,4.443439901,8.324686172,0.873477837,4.231360714,4.769035699,4.160500844,12.80965691,3.808036431,6.378000755,4.975544786,7.32883931,7.34905309,3.616833884,6.859663562,3.474849136,4.039507719,1.838632156,2.511069357,0.04625925,1.56E-20,1.02E-60,1.28E-122,3.11E-206,1.452891844506E-311,0,0,0,0,0,0,0,0,0,0.355218392,4.768829469,0.319009219,5.750554117,0.962040816,1.266083907,0.510738791,1.558253963,0.798615174,0.312287553,1.134441407,0.499675227,0.164550812,0.112001209,0.01768574,3.26E-04,1.10E-22,7.18E-63,9.02E-125,2.19E-208,1.0232836057E-313,0,0,0,0,0,0,0,0,0,1.146421676,4.768843705,1.04902799,6.476016945,1.247219829,1.791983338,1.418773838,2.545344709,1.660361564,0.957278992,1.899074617,0.902324822,0.646141263,0.389427844,0.184298472,0.003395167,1.15E-21,7.48E-62,9.40E-124,2.28E-207,1.06634041272E-312,0,0,0,0,0,0,0,0,0,3.994066058,4.769013218,3.906184599,12.12440099,3.52918029,5.881960193,4.701035565,6.908066396,6.779881264,3.404082743,6.366245381,3.220313853,3.69284047,1.706391029,2.237317639,0.041216159,1.39E-20,9.08E-61,1.14E-122,2.77E-206,1.2945004762545E-311,0,0,0,0,0,0,0,0,0,1.689557927,4.76886175,1.566229835,7.18645651,1.53080039,2.306668648,2.0430993,3.279606628,2.393061029,1.408815517,2.543929294,1.239495026,1.068596623,0.602146201,0.400320728,0.007374757,2.49E-21,1.62E-61,2.04E-123,4.95E-207,2.316233867897E-312,0,0,0,0,0,0,0,0,0,5.109956015,4.769130128,5.123854731,15.63423025,4.959310547,8.422503667,5.993265266,8.96341526,9.647371764,4.416419863,8.848848675,4.499480386,5.44732727,2.358393451,3.662158425,0.067464768,2.28E-20,1.49E-60,1.87E-122,4.53E-206,2.118906210151E-311,0,0,0,0,0,0,0,0,0,2.351936401,4.100009656,2.11112007,8.037361666,1.773666642,2.959801367,2.662393095,4.105597851,3.106323847,1.850810644,3.426158918,1.809702809,1.728529764,0.930354332,0.747095298,0.013763083,4.65E-21,3.03E-61,3.81E-123,9.24E-207,4.32265342167E-312,0,0,0,0,0,0,0,0,0,6.363622297,2.028648788,0.444954777,0.720092753,0.229557196,0.57154898,0.427557773,0.339544547,8.837225863,16.64373577,31.22512965,0.580139129,1.3386513,4.735227222,1.305925071,0.165660148,0.762908057,0.21040189,0.317621759,0.175595379,0.046784403,6.206812441,7.18463013,14.4158604,0.644362086,0.540001541,5.310073826,1.565997711,0.265008639,0.743595324,0.219294235,0.398403895,0.254492535,0.120069438,7.141080176,10.13778182,19.48255815,0.615392986,0.772965868,6.315252395,2.007716932,0.436740642,0.720943093,0.229199019,0.562885633,0.418857067,0.327090888,8.759709968,16.31421813,30.61146715,0.581414639,1.308833588,5.5945177,1.692454424,0.313828462,0.736043215,0.222667916,0.441943199,0.297729993,0.168561478,7.600800586,11.75532548,22.32760026,0.604064823,0.90823467,6.518259375,2.095400665,0.471189398,0.717486781,0.230647814,0.599707525,0.455842577,0.380878913,9.084849438,17.71703031,33.23755655,0.576230171,1.436429015,6.321961652,2.012337079,0.435982605,0.720839094,0.229449547,0.564082533,0.420800046,0.326023315,8.770281336,16.35552712,30.67234333,0.581258641,1.310905894 +UMLRON0181,L,1-methyl-3-n-propylbenzene,CCCC1=CC=CC(=C1)C,14092,Sandia values from independent api report ,Sandia,,C10H14,PubChem,,101.8,0,1.3695,1.87553025,43.3169,28.268688,0,0,26,10,16,0,10,0,0,0,0,0,0,0,0,0,1458.898234,1780.618739,2633.170864,2478.841525,1314.824957,317.073456,26.417664,0,0,4732.508928,6494.471781,10070.2599,11438.65137,8514.483661,3820.124465,808.1773552,0,0,182.900584,196.827788,372.891328,513.975316,606.978356,419.007168,174.680064,0,0,35.00280648,48.49460896,78.02068111,95.26550024,81.17360283,42.50680951,11.55993553,0,0,4226.625993,3844.69868,7859.072458,11000.50799,14334.64445,10548.68937,4807.858953,0,0,47.64583333,55.97222222,88.86111111,129.0972222,136.8333333,86.66666667,26,0,0,56.11147054,65.94884219,50.63790123,34.42835451,15.11293054,5.197925508,1.016064,0,0,182.0195742,240.5359919,193.6588442,158.8701579,97.86762829,62.62499123,31.08374443,0,0,7.034637846,7.289918074,7.170987077,7.138546056,6.976762713,6.868969967,6.718464,0,0,1.346261788,1.796096628,1.500397714,1.323131948,0.933029918,0.696832943,0.444612905,0,0,162.5625382,142.3962474,151.1360088,152.7848332,164.7660281,172.929334,184.917652,0,0,1.832532051,2.073045267,1.708867521,1.793016975,1.572796935,1.420765027,1,0,0,0.045202577,-0.007299809,0.003546735,-0.015517285,-0.017691785,-0.012756663,0.027117519,0,0,745.0215938,45.8474827,167.6298586,-628.9701533,-444.1474886,21.49100751,465.6384962,0,0,1385.399467,85.25535183,311.7148801,-1169.596858,-825.9112209,39.96344617,865.8746671,0,0,0.145944615,0.008981207,0.032837538,-0.123210935,-0.087005444,0.004209941,0.091215385,0,0,6.193380214,0.38113109,1.393510548,-5.228642143,-3.692207436,0.178655198,3.870862634,0,0,33.64253962,2.070310131,7.569571415,-28.4020671,-20.05612939,0.970457874,21.02658726,0,0,5.549412393,-1.68299022,1.169070513,-1.816855687,0.091335881,-2.465020957,1.929754274,0,0,0.001738561,-2.70E-04,6.82E-05,-2.16E-04,-2.03E-04,-2.09E-04,0.001042981,0,0,28.65467669,1.698054915,3.223651127,-8.735696573,-5.105143548,0.352311599,17.90917293,0,0,53.2845949,3.157605624,5.994516926,-16.24440081,-9.493232424,0.655138462,33.30287181,0,0,0.005613254,3.33E-04,6.31E-04,-0.001711263,-0.001000063,6.90E-05,0.003508284,0,0,0.238206931,0.014115966,0.02679828,-0.07262003,-0.042439166,0.002928774,0.148879332,0,0,1.293943832,0.076678153,0.145568681,-0.394473154,-0.230530223,0.015909145,0.808714895,0,0,0.213438938,-0.062332971,0.022482125,-0.025234107,0.001049838,-0.04041018,0.074221318,0,0,-0.15550985,0.039231553,-0.123963375,-0.116966783,-0.120286643,0.599910906,0,0,0.059259259,0.1125,-0.304861111,-0.17816092,0.012295082,0.625,0,0,0.059259259,0.1125,-0.304861111,-0.17816092,0.012295082,0.625,0,0,0.059259259,0.1125,-0.304861111,-0.17816092,0.012295082,0.625,0,0,0.059259259,0.1125,-0.304861111,-0.17816092,0.012295082,0.625,0,0,0.059259259,0.1125,-0.304861111,-0.17816092,0.012295082,0.625,0,0,-0.292041235,0.10533282,-0.118226351,0.004918679,-0.189328995,0.34774029,0,0,1.351453543,0.869884799,1.130703043,1.09055411,1.041687169,0.132500033,0,0,1.203703704,1.015625,1.382378472,1.073994253,0.765881148,0,0,0,1.203703704,1.015625,1.382378472,1.073994253,0.765881148,0,0,0,1.203703704,1.015625,1.382378472,1.073994253,0.765881148,0,0,0,1.203703704,1.015625,1.382378472,1.073994253,0.765881148,0,0,0,1.203703704,1.015625,1.382378472,1.073994253,0.765881148,0,0,0,1.573499186,0.535147038,1.164916601,0.986723272,1.392933706,0,0,0,40.88795188,19.88347645,27.62711587,40.88795188,4.088795188,19.88347646,-7.11E-15,0.025365077,0.002536508,-3.674381957,158.4165045,15.84165045,5.065227669,40.88795188,19.88347645,27.62711587,40.88795188,4.088795188,19.88347646,-7.11E-15,0.025365077,0.002536508,-3.674381957,158.4165045,15.84165045,5.065227669,40.88795188,19.88347645,27.62711587,40.88795188,4.088795188,19.88347646,-7.11E-15,0.025365077,0.002536508,-3.674381957,158.4165045,15.84165045,5.065227669,40.88795188,19.88347645,27.62711587,40.88795188,4.088795188,19.88347646,-7.11E-15,0.025365077,0.002536508,-3.674381957,158.4165045,15.84165045,5.065227669,40.88795188,19.88347645,27.62711587,40.88795188,4.088795188,19.88347646,-7.11E-15,0.025365077,0.002536508,-3.674381957,158.4165045,15.84165045,5.065227669,40.88795188,19.88347645,27.62711587,40.88795188,4.088795188,19.88347646,-7.11E-15,0.025365077,0.002536508,-3.674381957,158.4165045,15.84165045,5.065227669,59.3372891,27.69466822,39.47161851,59.07784466,5.907784466,27.69466822,-0.648611111,0.081284784,0.008128478,-2.509796442,79.84827032,7.984827032,4.380128213,0,11.9,12.10017173,-0.129562635,0.072551886,6.440054204,9.812010106,11,27,26,26,10,1,1,0,0,1,17.491312,3.888198681,3.171405933,2.816229375,2.607985764,2.333552793,1.888076085,1.456637094,1.188528092,2.122359773,1.606522506,1.351545987,1.285360496,1.249629723,0.810443177,0.56697733,0.444919545,3.902897642,3.197031354,2.851626796,2.655883624,2.405454588,1.952895393,1.543726574,1.291733304,2.085478294,1.537069639,1.272965803,1.192962473,1.134540686,0.686875279,0.430016902,0.295560373,3.969059753,3.316995691,3.009510993,2.86491865,2.704236987,2.239619494,1.90897946,1.714805433,1.982613349,1.342282775,1.04129169,0.905941121,0.76031856,0.296059273,0.022475196,0.207442483,3.913800811,3.216311771,2.877855352,2.691159201,2.457539916,2.000951171,1.607146834,1.366321189,2.062524406,1.493537305,1.222847565,1.132709149,1.058262671,0.605648329,0.338637319,0.195238561,4.002352879,3.379392349,3.087107237,2.964400111,2.838982085,2.376338979,2.07342931,1.900581295,1.952034235,1.285515688,0.969260316,0.812427586,0.631337262,0.167362171,0.180254075,0.387145339,3.873151655,3.398506981,2.970412149,2.690979452,2.634654398,2.111823986,1.640665901,1.415179689,2.141314748,1.418422308,1.086602869,1.07810206,0.878556837,0.433128679,0.253355672,0.100946856,0,0,1,0,1,2,3,2,1,0,0.11785113,0.387076975,0.759946456,1.178528219,0,0.11785113,0.377961159,0.686886724,0.959200637,1.40857456,0.166666667,0.648271461,0.151374715,1.30142081,0.166666667,0.581948473,0.142258898,3.260153798,4.31544863,4.893089478,2.930493096,3.583407348,3.764093265,7.353371151,4.621027034,4.915120116,4.203665235,3.059150443,2.048616017,1.145707649,0.340206909,0.735337115,0.420093367,0.273062229,0.168146609,0.109255373,0.068287201,0.05207762,0.034020691,6.983127663,4.297877056,4.503502173,3.777239609,2.61466402,1.685056171,0.87228213,0.277368927,0.698312766,0.390716096,0.250194565,0.151089584,0.093380858,0.056168539,0.039649188,0.027736893,14.33462243,25.10269483,23.80392157,24.08,16.38843593,197.7114299,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,2.92489,43.482,47.52016661,65.02412399,95.04033322,9.504033322,47.52016661,0.004736954,4.74E-04,-5.352360875,61.98482058,6.198482058,4.126889526,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,7,2,0,1,0,0,0,0,0,0,0,0,2,1,3,0,0,0,2,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.649560185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.317569444,0,0,0,1.744236111,0.580555556,0,0.317569444,0,0,0,0,0,0,0,0,4.797962963,4.128726852,4.145763889,0,0,0,1.883564815,0,0,1.520833333,0,0,0.606481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.520833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.317569444,0,0,0,0.225625,0.290277778,0,0.317569444,0,0,0,0,0,0,0,0,2.398981481,4.128726852,1.304328704,0,0,0,0.866898148,0,0,1.520833333,0,0,0.606481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.128726852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.317569444,0,0,0,0.290277778,0.290277778,0,0.317569444,0,0,0,0,0,0,0,0,2.398981481,4.128726852,1.436342593,0,0,0,1.016666667,0,0,1.520833333,0,0,0.606481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.08333333,1.708333333,0.317569444,4.128726852,-0.005208333,0.606481481,6.118578843,0.643518519,1.128726852,3.85337963,0.643518519,1.128726852,3.85337963,5,0.5,0,0,0.45385,0.7,0.44286,0.44286,0.7,0.01099,0.01099,0,0,0.71429,0,0,0.3,0.3,0.1,6.5,0.65,5.5,0.55,1,0.1,-4.5,-0.45,0,0,10.60825,1.06083,12.14436,1.5361,0.15361,4.13471,0.41347,4.62101,0.4863,0.04863,0.29299,0.0293,0.37899,0.0379,0.269230769,31,0,0,0,0,0,0,0.8,0.961236605,2.419556299,3.565448372,3.719294526,3.719294526,3.642371449,24.99215172,62.90846376,92.70165767,96.70165767,96.70165767,94.70165767,0.204499294,0.514751054,0.75853507,0.791265232,0.791265232,0.774900151,3.739203113,2.28088342,1.134991346,0.981145192,0.981145192,1.058068269,0.199951246,0.50330303,0.741665309,0.773667554,0.773667554,0.757666431,6.796774065,20.61971472,22.62012536,22.77517536,22.77517536,21.85209844,38.70844392,20.64166597,18.18462585,17.66141363,17.66141363,18.90777043,6.694214876,1.777777778,0.7168,0,2,0,2.56,1.2574,0.944940787,2.94389819,4.112265279,2.080083823,1.650963624,5.853800636,1.310370697,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0.003,0.163,0.175,0.286,0.54,4.478,18,25,28,30,22,10,2,0,0,156,2.564949357,3.044522438,3.36729583,3.526360525,3.610917913,3.433987204,2.564949357,1.609437912,0,0,5.225746674,1.185897436,0.25,1,0,1,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,3,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.181818182,0,3,4,0.333333333,3.5,2.222222222,1.75,0.444444444,0,0,0,0,0,0,0.318181818,0.138888889,0.134615385,0.088888889,0,0,0,0,0,0,0.680574981,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,0,154.1669289,4.321928095,4.077537444,4.976733742,5.92157842,6.844815479,7.791109511,8.718500048,9.665293813,10.593555,11.5405309,91.12965436,3.135494216,0,4.634728988,0,6.385194399,0,8.219056661,0,10.08008442,10.25058175,136.1252005,5.235584635,19.92298566,1.992298566,0,0,0,102,13,4.222,58,1.264016187,2.185006382,2.992985573,3.602340471,4.197093939,4.840823288,0,0,0,0,95.30475175,120.9540957,106.530623,57.36225388,22.59575571,4.918586273,0,0,0,0,331.948938,451.1403146,486.1284799,362.2448691,268.7228258,150.4709139,0,0,0,0,9.252794688,15.72624326,21.39237564,25.16009076,28.85776923,32.52289699,0,0,0,0,2.421713796,3.444815873,4.027058839,3.424365624,2.971691664,2.152292504,0,0,0,0,177.6116207,326.177947,455.3147933,591.491418,723.5658219,895.1536762,0,0,0,0,2.650678783,3.867129783,5.456743441,5.777976313,6.037576353,4.840823288,0,0,0,0,0.498589105,0.716038848,0.84866296,0.738838396,0.65720764,0.495700305,0,0,0,0,325.8798931,157.9906053,10.56939806,75.16227699,-36.43960212,-4.469708355,250.7176161,194.4302075,15.03910641,0.81258261,0.393950106,0.02635483,0.18741739,-0.09086227,-0.011145233,130.6915795,63.36089521,4.238774332,30.14324267,-14.61381711,-1.792541538,0.110246903,0.204545581,3.297375637,3.885340332,401.04217,0,1,0,721.9453912,26.8690415,8.970874535,877.3625931,29.62030711,9.573256707,1378.175469,37.12378575,11.12845409,1.173444072,1.173030058,415.2081053,361.2036539,242.4498459,1.149512473,1.712552564,1.489807727,3.910724996,3.656310633,6.387730674,0.747042666,4.625741201,8.933405245,6.859290288,24.72950424,12.13530283,16.37056508,16.35546422,11.54317222,6.614962842,4.202112817,1.584851724,0.283529216,5.24E-17,1.87E-54,1.29E-113,1.70E-194,4.36E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,0.388216818,8.039395789,1.764081032,8.957108964,1.672581651,2.200128388,1.699501749,1.260775907,0.131686993,0.150369211,0.011162606,0.001996919,3.69E-19,1.32E-56,9.05E-116,1.20E-196,3.07E-299,0,0,0,0,0,0,0,0,0,0,0,0,0,1.253185342,8.099135775,2.553498327,11.28192099,3.134055821,4.424759157,3.527852804,2.65310663,0.704088351,0.618701495,0.11632009,0.02080944,3.85E-18,1.37E-55,9.43E-115,1.25E-195,3.20E-298,0,0,0,0,0,0,0,0,0,0,0,0,0,4.366322802,8.835251016,6.458702922,23.44742486,11.25627635,15.26679525,15.04671974,10.66374594,5.952391806,3.827166505,1.412074606,0.252619427,4.67E-17,1.67E-54,1.15E-113,1.52E-194,3.89E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,1.846959279,8.176591351,3.169823868,13.14347763,4.337493072,6.150199144,5.128349512,3.818680092,1.320003505,1.046706824,0.252661879,0.045200885,8.36E-18,2.98E-55,2.05E-114,2.72E-195,6.95E-298,0,0,0,0,0,0,0,0,0,0,0,0,0,5.586250983,9.346130429,8.443154389,29.83583439,15.66074809,20.72559007,21.66840256,15.08308607,9.369812964,5.734457339,2.311356099,0.413500715,7.64E-17,2.73E-54,1.87E-113,2.49E-194,6.36E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,3.0030338,6.263551539,3.390867659,15.87054216,5.755120402,8.874552428,8.761098417,5.933466699,2.922152719,2.263479992,0.543056119,0.097152188,1.80E-17,6.40E-55,4.40E-114,5.84E-195,1.49E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,2.786428671,1.7330151,1.222243897,0.485297848,0.301830263,0.454750422,0.540554956,0.494316702,5.741687668,10.35278553,21.99659482,0.227946772,1.489622079,1.967446469,1.089583593,0.696230157,0.524196659,0.290303238,0.228614515,0.218116742,0.149539034,3.753260219,4.272093913,9.517860906,0.286294989,0.596270291,2.267096433,1.327313776,0.895032029,0.504983985,0.295652267,0.301636854,0.320718248,0.255395328,4.489442238,6.226260591,13.40898696,0.257475978,0.877750429,2.763418049,1.715143723,1.208121584,0.485945476,0.301607038,0.447244114,0.52964864,0.482421422,5.686683356,10.15030626,21.5630741,0.228918214,1.459314176,2.4110965,1.440409098,0.987710621,0.498241118,0.297653387,0.340690202,0.376235816,0.315062349,4.839216219,7.277138321,15.54663929,0.247361677,1.031988367,2.859467401,1.789696237,1.266873133,0.483341722,0.302516077,0.479022875,0.575904735,0.532795671,5.916036771,11.00747855,23.40683745,0.225012583,1.587723281,2.781477113,1.723479302,1.209281578,0.48676256,0.301611397,0.45279943,0.537926818,0.482354338,5.714237992,10.24157903,21.7528931,0.23014384,1.473080587 +UMLRON0182,L,beta-pinene,CC1(C2CCC(=C)C1C2)C,14896,,UML,[1],C10H16,PubChem,,80.6,0,-0.7418,0.55026724,35.0592,29.602274,0,0,28,10,18,0,10,0,0,0,0,0,0,0,0,0,1460.930362,1804.832915,2487.89555,1768.783304,1533.753992,988.868836,226.227456,16.257024,0,4794.676417,6723.945014,10537.898,9921.256366,7844.11025,6111.649197,2830.465684,497.3399109,0,196.337512,211.063052,429.784952,623.679776,528.356384,419.169424,328.87296,107.495424,0,35.89203229,50.72169758,84.91618702,90.43355274,71.27495687,57.45972764,32.04432192,7.113806478,0,4596.461297,4150.943776,9073.119015,14466.51966,12698.49227,9845.1226,8367.325628,2958.682432,0,39.55555556,49.94444444,92.83333333,119.3333333,98.66666667,81,56,16,0,52.17608436,62.23561776,41.46492583,19.87396971,20.18097358,16.48114727,4.713072,1.016064,0,171.2384435,231.8601729,175.6316334,111.4747906,103.211977,101.86082,58.96803508,31.08374443,0,7.012054,7.278036276,7.163082533,7.007637933,6.952057684,6.986157067,6.85152,6.718464,0,1.281858296,1.749024054,1.415269784,1.016107334,0.93782838,0.957662127,0.66759004,0.444612905,0,164.159332,143.1359923,151.2186502,162.5451647,167.0854245,164.0853767,174.3192839,184.917652,0,1.412698413,1.722222222,1.547222222,1.34082397,1.298245614,1.35,1.166666667,1,0,0.036870922,9.44E-04,-0.012645419,-0.018677289,0.015109591,-0.014642116,3.20E-04,0.011156165,0,778.2814864,50.03238127,-232.2490785,-424.3487152,239.6612831,-318.7247992,49.41469755,247.0734878,0,1447.247658,93.03734943,-431.8770788,-789.0945563,445.6603899,-592.6823742,91.88874018,459.4437009,0,0.15246,0.009801,-0.045496,-0.083127,0.046948,-0.062436,0.00968,0.0484,0,6.469870403,0.41592024,-1.930691485,-3.527619815,1.992309299,-2.649565974,0.410785422,2.053927112,0,35.14443871,2.259285346,-10.48754679,-19.16208682,10.82225573,-14.39248442,2.231392934,11.15696467,0,1.444444444,-0.027777778,-0.5,-0.638888889,0.666666667,-0.666666667,-2.13E-15,0.444444444,0,0.001316819,3.25E-05,-2.11E-04,-2.10E-04,1.99E-04,-2.44E-04,6.66E-06,6.97E-04,0,27.79576737,1.725254527,-3.870817975,-4.767963092,3.153437936,-5.312079987,1.029472866,15.44209298,0,51.68741635,3.208184463,-7.197951314,-8.86623097,5.863952498,-9.878039569,1.914348754,28.71523131,0,0.005445,3.38E-04,-7.58E-04,-9.34E-04,6.18E-04,-0.0010406,2.02E-04,0.003025,0,0.2310668,0.014342077,-0.032178191,-0.039636178,0.026214596,-0.044159433,0.00855803,0.128370444,0,1.255158525,0.077906391,-0.174792447,-0.215304346,0.142398102,-0.23987474,0.046487353,0.697310292,0,0.051587302,-9.58E-04,-0.008333333,-0.007178527,0.00877193,-0.011111111,-4.44E-17,0.027777778,0,0.024716904,-0.160050119,-0.159366803,0.150977824,-0.185321857,0.005058341,0.529503674,0,0.062068966,-0.139259259,-0.171535581,0.113450292,-0.191111111,0.037037037,0.555555556,0,0.062068966,-0.139259259,-0.171535581,0.113450292,-0.191111111,0.037037037,0.555555556,0,0.062068966,-0.139259259,-0.171535581,0.113450292,-0.191111111,0.037037037,0.555555556,0,0.062068966,-0.139259259,-0.171535581,0.113450292,-0.191111111,0.037037037,0.555555556,0,0.062068966,-0.139259259,-0.171535581,0.113450292,-0.191111111,0.037037037,0.555555556,0,-0.018567639,-0.161538462,-0.139152982,0.170040486,-0.215384615,-8.60E-16,0.538461538,0,1.342958085,1.317299795,1.08305918,0.741630902,1.179020205,0.760808334,0,0,1.303448276,1.33,1.13258427,0.773684211,1.12,0.7,0,0,1.303448276,1.33,1.13258427,0.773684211,1.12,0.7,0,0,1.303448276,1.33,1.13258427,0.773684211,1.12,0.7,0,0,1.303448276,1.33,1.13258427,0.773684211,1.12,0.7,0,0,1.303448276,1.33,1.13258427,0.773684211,1.12,0.7,0,0,1.396551724,1.298076923,1.038461538,0.724190283,1.246153846,0.778846154,0,0,47.07265321,23.5363266,35.95873368,47.07265321,4.707265321,23.5363266,-1.42E-14,3.33E-16,3.33E-17,-35.63818828,47.94918458,4.794918458,3.870141796,47.07265321,23.5363266,35.95873368,47.07265321,4.707265321,23.5363266,-1.42E-14,3.33E-16,3.33E-17,-35.63818828,47.94918458,4.794918458,3.870141796,47.07265321,23.5363266,35.95873368,47.07265321,4.707265321,23.5363266,-1.42E-14,3.33E-16,3.33E-17,-35.63818828,47.94918458,4.794918458,3.870141796,47.07265321,23.5363266,35.95873368,47.07265321,4.707265321,23.5363266,-1.42E-14,3.33E-16,3.33E-17,-35.63818828,47.94918458,4.794918458,3.870141796,47.07265321,23.5363266,35.95873368,47.07265321,4.707265321,23.5363266,-1.42E-14,3.33E-16,3.33E-17,-35.63818828,47.94918458,4.794918458,3.870141796,47.07265321,23.5363266,35.95873368,47.07265321,4.707265321,23.5363266,-1.42E-14,3.33E-16,3.33E-17,-35.63818828,47.94918458,4.794918458,3.870141796,49.99960839,24.98869308,38.78602973,49.98183061,4.998183061,24.98869308,-0.022222222,1.11E-16,1.11E-17,-36.73680057,45.55960674,4.555960674,3.819021507,0,11.9,12.10017173,-0.151146394,0.049052325,6.939690164,9.239008901,11,29,29,29,11,0,0,0,0,0,19.677726,3.743078852,3.432574826,2.641561682,2.459820995,2.459820995,2.104115623,1.206347075,1.19006016,1.862703213,1.724171079,1.724171079,1.463302891,0.757863935,0.757863935,0.735121179,0.599975085,3.764442493,3.461101754,2.680442741,2.510897621,2.510897621,2.162806931,1.314693054,1.30885592,1.812151498,1.655976007,1.655976007,1.385504819,0.62194973,0.62194973,0.60611689,0.452121925,3.858666694,3.586224071,2.854988672,2.734801489,2.734801489,2.422580545,1.778468089,1.778468089,1.66748115,1.452583651,1.452583651,1.154354357,0.19123075,0.172849073,0.172849073,0.046080835,3.780191068,3.482102777,2.709324748,2.548571849,2.548571849,2.206296049,1.39352899,1.39352899,1.780322735,1.612285733,1.612285733,1.335684977,0.531260614,0.531260614,0.520823094,0.352776267,3.904834438,3.646932101,2.941128325,2.841861735,2.841861735,2.547062666,1.978039144,1.978039144,1.623566697,1.38842831,1.38842831,1.082182257,0.0516727,0.016182923,0.016182923,0.22393272,3.806025351,3.544615199,2.763935841,2.654572333,2.654572333,2.309534581,1.594952224,1.594952224,1.747123481,1.508440758,1.508440758,1.234970512,0.351989219,0.33199289,0.33199289,0.139731373,0,0,0,0,0,0,8,2,0,0,0,0.288675135,0.166666667,0.23570226,0,0,0.288675135,0.166666667,0.23570226,0.333333333,0,0.083333333,0,0.333333333,0,0.083333333,0,0.942809042,1.5,1.414213562,0.942809042,1.5,1.414213562,6.811554788,4.966326495,4.089073412,3.466326495,2.857589235,1.333333333,0.942809042,0.5,0.681155479,0.451484227,0.292076672,0.192573694,0.12989042,0.083333333,0.058925565,0.041666667,6.811554788,4.966326495,4.089073412,3.466326495,2.857589235,1.333333333,0.942809042,0.5,0.681155479,0.451484227,0.292076672,0.192573694,0.12989042,0.083333333,0.058925565,0.041666667,14.87645023,26.99053168,25.52941176,25.84,17.18699042,213.9969904,0.531301794,0.96394756,0.911764706,0.922857143,0.613821086,7.642749658,3.3668,43.916,48.03513761,70.0626994,96.07027522,9.607027522,48.03513761,4.44E-16,4.44E-17,-35.35050621,57.94913187,5.794913187,4.059565589,90,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,12.35648148,0,0,0,2.310185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.528935185,0,0,0,1.155092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.560185185,0,0,0,1.155092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66666667,1.466666667,0.2,1.560185185,0.2,1.155092593,6.937652778,0.178240741,0.060185185,0.712962963,0.178240741,0.060185185,0.712962963,5,0.5,0,0,0.44286,0.7,0.44286,0.44286,0.7,0,0,0,0,0.71429,0,0,0,0.2,0,5.5,0.55,5.5,0.55,0,0,-5.5,-0.55,0,0,10.71029,1.07103,10.71029,0,0,4.96631,0.49663,4.96631,0,0,-0.05231,-0.00523,0.11969,0.01197,0.357142857,31,0,0,0,0,0,0,1,0.940285959,1.198117421,1.807354922,2.378783493,2.182005815,2.120952031,26.32800684,33.54728779,50.60593782,66.60593782,61.09616281,59.38665687,0.195593205,0.249225913,0.375956207,0.494821691,0.453889062,0.441188983,3.867068963,3.609237501,3,2.428571429,2.625349107,2.686402891,0.193554886,0.246628676,0.372038286,0.489665047,0.449158985,0.436591257,6.779097864,9.873075414,13.62770164,14.20360166,11.84226951,13.94375265,39.20654966,35.42600366,30.43931939,31.3199826,35.57548876,31.9500736,6.694214876,2.93877551,1.382716049,0,0,0,2.56,1.3004,0,0,0,0,11.03116616,8.596559455,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.093,0.104,0.349,0.426,5.02,14,18,22,16,16,12,8,4,0,131,2.48490665,2.708050201,2.944438979,3.135494216,2.833213344,2.833213344,2.564949357,2.197224577,1.609437912,0,4.882801923,1,0.4,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.090909091,1,0.090909091,1,3,5,0.666666667,1,0.888888889,0.055555556,0.18,0,0,0,0,0,0,0.090909091,0.063492063,0.006944444,0.0225,0,0,0,0,0,0,0.183845599,23.5363266,35.95873368,47.07265321,4.707265321,23.5363266,3.33E-16,3.33E-17,-35.63818828,47.94918458,4.794918458,3.870141796,0,156.8033876,4.321928095,3.931825633,4.744932128,5.572154032,6.401917197,7.23489842,8.068089626,8.902047346,9.735956081,10.57005972,86.16188019,3.135494216,0,4.369447852,3.044522438,5.777652323,5.129898715,7.271703707,6.985641818,8.816260209,9.198369,138.1408506,4.933601806,20.3637329,2.03637329,0,0,0,115,8,5.228,50,1.403756709,2.506845621,3.365074285,4.457342388,5.77061541,6.751434042,7.935583288,0,0,0,111.2140036,118.3538689,81.52021268,111.1233233,109.466772,34.65171244,8.063060498,0,0,0,381.2007531,479.251274,418.0061303,525.4602068,635.8124887,419.4767297,246.6676428,0,0,0,10.29290999,18.03627034,23.68270365,31.15588362,40.45145715,46.35949941,53.31493064,0,0,0,2.757555159,3.779068188,3.684261992,4.594507991,5.84066284,4.677979121,3.528262737,0,0,0,196.1766691,373.4923175,539.6155127,732.3684854,936.603277,1168.787344,1467.429429,0,0,0,2.53364064,3.980199105,4.641521026,6.017915051,7.981284582,8.004331131,7.935583288,0,0,0,0.566821252,0.789608871,0.785815836,0.980459879,1.254127191,1.036144125,0.812603729,0,0,0,395.2325144,191.5754307,10.59210105,89.66010531,-43.45966656,-4.346257405,305.5724091,235.0350972,14.93835846,0.815092865,0.395088362,0.02184422,0.184907135,-0.089627404,-0.00896334,191.6453293,92.89351244,5.136031628,43.47552335,-21.07327157,-2.107468139,0.062153552,0.108408697,1.24846721,0.552307789,484.8926197,0,1,0,494.6237679,22.24013867,7.908455231,668.9904173,25.86484907,8.745942793,845.2261,29.07277249,9.454915092,1.732930963,1.732930963,1124.077396,1025.345738,204.7230826,1.09629109,5.49072133,5.008452028,5.301894258,5.691804142,9.717452428,0.707271049,5.020209962,4.151263098,3.982568407,15.38837539,15.28084271,16.19443329,13.12625775,14.78113984,7.360465628,5.267932028,13.63340146,9.766585474,4.637603711,2.258520327,2.023226083,0.287627364,2.882756939,0.021080471,5.62E-04,3.30E-27,4.16E-72,1.08E-138,5.55E-227,0,0,0,0,0,0,0,0.421311435,4.150918446,1.439804943,4.525908936,1.155637437,3.673857462,0.748205252,1.911746996,2.063023713,0.285838868,3.440299172,0.889500219,0.128463396,0.743184464,0.971972769,0.008591093,0.091334009,1.48E-04,3.96E-06,2.33E-29,2.93E-74,7.57E-141,3.91E-229,0,0,0,0,0,0,0,1.360044669,4.150943086,1.783501588,6.175134356,2.808456531,5.155423939,2.148804201,3.263349746,2.768344267,0.95373206,4.624308658,2.278886328,0.586253676,0.852990887,1.053367268,0.037977773,0.394069181,0.001547187,4.12E-05,2.43E-28,3.05E-73,7.89E-140,4.08E-228,0,0,0,0,0,0,0,4.738668689,4.151225828,3.764874327,14.52243082,13.98082011,15.04793393,11.97013174,13.54212074,6.903143587,4.839446614,12.69219259,9.073629048,4.197897249,2.095173961,1.911751354,0.260791408,2.617393254,0.01878232,5.00E-04,2.94E-27,3.70E-72,9.58E-139,4.95E-227,0,0,0,0,0,0,0,2.004455605,4.150973572,2.071499325,7.475937421,4.308407073,6.491410242,3.444611737,4.569849994,3.364166981,1.515862415,5.70331909,3.358139846,1.037874219,0.987606995,1.148788526,0.066337081,0.681181176,0.003360698,8.95E-05,5.27E-28,6.63E-73,1.71E-139,8.86E-228,0,0,0,0,0,0,0,6.062630571,4.151419456,4.859019648,18.8227445,20.58847769,20.87086434,17.85916906,19.88093282,9.204753486,6.994628871,17.47842476,12.5020459,6.451462604,2.943455085,2.489465505,0.398063258,3.972548233,0.030743885,8.19E-04,4.82E-27,6.06E-72,1.57E-138,8.10E-227,0,0,0,0,0,0,0,3.457444877,4.028948545,2.843240691,10.68743382,8.648212769,10.17986055,7.229937382,8.591271821,4.955488889,3.02503459,9.000532058,6.207135743,2.445180085,1.488287359,1.51763852,0.153560546,1.554877401,0.009799806,2.61E-04,1.54E-27,1.93E-72,5.00E-139,2.58E-227,0,0,0,0,0,0,0,8.089484512,1.735300167,0.909872287,0.753585749,0.161653993,0.565805198,0.444405381,0.446328981,10.73465697,22.97698313,46.48413957,0.630378624,1.45653956,7.039393628,1.098676296,0.383764825,0.826042024,0.128924853,0.42831001,0.178227243,0.079349177,8.521834749,10.8571199,22.34699753,0.739063037,0.68588643,7.442746021,1.343260284,0.585974623,0.794148652,0.143327253,0.478851263,0.266359987,0.185085556,9.371980928,15.14592186,30.37621053,0.691222978,0.930296806,8.062060096,1.718679017,0.896145259,0.755094821,0.160971961,0.561969958,0.435937526,0.432965218,10.67688437,22.62105651,45.7150134,0.632642232,1.430872702,7.628222183,1.455707675,0.678903682,0.781353298,0.149107088,0.503043041,0.312795698,0.248474884,9.76283354,17.27157501,34.57326841,0.672029947,1.064313623,8.175839896,1.787636044,0.95309248,0.748938639,0.163754394,0.577967468,0.4716002,0.48972841,10.91656842,24.11154009,48.95796121,0.623407959,1.539296078,8.076720173,1.724607364,0.899920223,0.754745648,0.161159465,0.564017434,0.438952328,0.436623596,10.70124776,22.74958395,45.98597446,0.632118472,1.439593357 +UMLRON0183,L,cyclopentylcyclopentane,C1CCC(C1)C2CCCC2,15417,,UML,[1],C10H18,PubChem,,9.7,0,0.463,0.214369,29.1787,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1719.157786,1097.746948,287.86464,24.385536,0,0,0,3399.790734,4570.930941,7070.212022,6886.010428,3693.500827,746.0098663,0,0,0,146.842108,152.43046,299.177704,409.724176,444.68352,161.243136,0,0,0,25.74688067,35.11192034,56.83310387,63.25981588,42.27846692,10.67070972,0,0,0,3476.407621,3031.276161,6485.816131,9157.336253,11383.7453,4438.023649,0,0,0,32.5625,39.5,67,93,79,24,0,0,0,48.76541633,56.15943233,40.93232824,18.92667152,4.428686769,1.016064,0,0,0,161.8947969,217.6633782,168.3383815,118.7243177,56.82308964,31.08374443,0,0,0,6.992481333,7.258593333,7.123278667,7.064209931,6.841284923,6.718464,0,0,0,1.226041937,1.671996207,1.35316914,1.090686481,0.650437953,0.444612905,0,0,0,165.54322,144.3464838,154.4241936,157.8851078,175.134543,184.917652,0,0,0,1.550595238,1.880952381,1.595238095,1.603448276,1.215384615,1,0,0,0,0.027535165,-0.003887458,0.007166211,-0.033384939,0.00136783,0.014970773,0,0,0,564.9747087,4.90E-13,80.71067267,-753.2996116,67.25889389,322.8426907,0,0,0,1050.594596,-5.68E-14,150.0849423,-1400.792795,125.0707852,600.3397692,0,0,0,0.110674667,1.59E-15,0.015810667,-0.147566222,0.013175556,0.063242667,0,0,0,4.696646663,7.55E-15,0.670949523,-6.26219555,0.559124603,2.683798093,0,0,0,25.51225921,2.26E-14,3.644608459,-34.01634562,3.037173716,14.57843384,0,0,0,2.202380952,-1.080357143,1.470238095,-2.303004535,-0.171060091,0.982993197,0,0,0,0.001311198,-1.85E-04,1.71E-04,-5.76E-04,2.10E-05,6.24E-04,0,0,0,26.90355756,2.33E-14,1.921682683,-12.98792434,1.034752214,13.45177878,0,0,0,50.0283141,-2.71E-15,3.573451007,-24.15159991,1.924165927,25.01415705,0,0,0,0.005270222,7.57E-17,3.76E-04,-0.002544245,2.03E-04,0.002635111,0,0,0,0.223649841,3.60E-16,0.015974989,-0.107968889,0.008601917,0.111824921,0,0,0,1.214869486,1.08E-15,0.086776392,-0.586488718,0.046725749,0.607434743,0,0,0,0.104875283,-0.051445578,0.035005669,-0.039706975,-0.002631694,0.04095805,0,0,0,-0.141181577,0.130128347,-0.438989568,0.016049093,0.475734436,0,0,0,8.68E-16,0.071428571,-0.482758621,0.038461538,0.5,0,0,0,-5.41E-17,0.071428571,-0.482758621,0.038461538,0.5,0,0,0,1.44E-14,0.071428571,-0.482758621,0.038461538,0.5,0,0,0,1.61E-15,0.071428571,-0.482758621,0.038461538,0.5,0,0,0,8.88E-16,0.071428571,-0.482758621,0.038461538,0.5,0,0,0,-0.490540541,0.333783784,-0.37861137,-0.025093555,0.390540541,0,0,0,1.569323881,0.947185736,1.55510981,0.722847947,0.003371338,0,0,0,1.428571429,1.12244898,1.551724138,0.659340659,0,0,0,0,1.428571429,1.12244898,1.551724138,0.659340659,0,0,0,0,1.428571429,1.12244898,1.551724138,0.659340659,0,0,0,0,1.428571429,1.12244898,1.551724138,0.659340659,0,0,0,0,1.428571429,1.12244898,1.551724138,0.659340659,0,0,0,0,2,0.513513514,1.663560112,0.768399168,0,0,0,0,22.77328225,11.38664112,16.27413364,22.77328225,3.253326035,11.38667429,-1.07E-14,0.009282352,0.00132605,-3.275748196,31.77968915,4.539955593,2.421179166,22.77328225,11.38664112,16.27413364,22.77328225,3.253326035,11.38667429,-1.07E-14,0.009282352,0.00132605,-3.275748196,31.77968915,4.539955593,2.421179166,22.77328225,11.38664112,16.27413364,22.77328225,3.253326035,11.38667429,-1.07E-14,0.009282352,0.00132605,-3.275748196,31.77968915,4.539955593,2.421179166,22.77328225,11.38664112,16.27413364,22.77328225,3.253326035,11.38667429,-1.07E-14,0.009282352,0.00132605,-3.275748196,31.77968915,4.539955593,2.421179166,22.77328225,11.38664112,16.27413364,22.77328225,3.253326035,11.38667429,-1.07E-14,0.009282352,0.00132605,-3.275748196,31.77968915,4.539955593,2.421179166,22.77328225,11.38664112,16.27413364,22.77328225,3.253326035,11.38667429,-1.07E-14,0.009282352,0.00132605,-3.275748196,31.77968915,4.539955593,2.421179166,27.24816257,13.53479557,19.67132958,27.12061155,3.874373078,13.53479908,-0.178571429,0.009006543,0.001286649,-3.296862766,28.06813728,4.009733897,2.33424452,0,11.9,12.10010405,-0.15024009,0.049918964,6.28675,8.706003578,7,21,21,21,7,0,0,0,0,0,15.304898,3.685509312,2.900624885,2.459820995,2.333552793,1.882361569,1.19006016,0.442409364,0.083923071,1.86262437,1.724171079,1.249629723,1.216389467,0.757863935,0.580122082,0.083923071,0.083923071,3.707373867,2.941805738,2.510897621,2.405454588,1.958407586,1.30885592,0.55183602,0.270913902,1.806936484,1.655976007,1.134540686,1.109748189,0.62194973,0.429996831,0.270913902,0.270913902,3.804575529,3.123976702,2.734801489,2.704236987,2.278289185,1.778468089,0.964952352,0.943918427,1.648584778,1.452583651,0.770167703,0.76031856,0.172849073,0.078713994,0.943918427,0.943918427,3.723536286,2.972249117,2.548571849,2.457539916,2.013769761,1.39352899,0.628737459,0.399277246,1.771937841,1.612285733,1.058262671,1.039584512,0.531260614,0.328938534,0.399277246,0.399277246,3.852583127,3.212391847,2.841861735,2.838982085,2.423819797,1.978039144,1.207644823,1.207644823,1.601035517,1.38842831,0.656201591,0.631337262,0.016182923,0.261765856,1.12961095,1.207644823,3.713084649,3.066460035,2.69310324,2.575360409,2.101224725,1.526647766,0.680858864,0.622222222,1.741924609,1.5891262,0.888833626,0.826436573,0.401770864,0.175314483,0.622222222,0.622222222,0,0,0,0,0,2,4,0,1,0,0,0.125,0.25,0.125,0,0,0.125,0.25,0.125,1.207106781,0.25,0,0,1.207106781,0.25,0,0,1.207106781,1.457106781,0.5,1.207106781,1.457106781,0.5,5.328427125,3.207106781,3.371320344,1.957106781,1.332106781,0.5,0,0,0.761203875,0.458158112,0.337132034,0.217456309,0.148011865,0.125,0,0,5.328427125,3.207106781,3.371320344,1.957106781,1.332106781,0.5,0,0,0.761203875,0.458158112,0.337132034,0.217456309,0.148011865,0.125,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.5866,32.249,21.66837026,30.60589335,43.33674052,6.190962931,21.66837026,0.160268878,0.022895554,-1.28163167,24.81525031,3.545035759,2.248020877,34,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,4.722222222,0,5.833333333,0,0,0,0,0,0,0,0,0,0.694444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.361111111,0,1.451388889,0,0,0,0,0,0,0,0,0,0.694444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.361111111,0,1.465277778,0,0,0,0,0,0,0,0,0,0.694444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.25,1.607142857,0.2,2.361111111,0,0.694444444,5.021805556,0.555555556,0.361111111,1.444444444,0.555555556,0.361111111,1.444444444,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.28571,0,0.14286,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,7.16768,1.02395,7.16768,0,0,3.20711,0.45816,3.20711,0,0,0.20689,0.02956,0.29289,0.04184,0.238095238,7,0,0,0,0,0,0,1,0.918295834,1.377890332,2.22518528,2.606137661,2.243773829,2.143780235,19.28421252,28.93569697,46.72889087,54.72889087,47.1192504,45.01938493,0.209068641,0.313704635,0.506608486,0.593340009,0.510840546,0.488074979,3.474021589,3.014427091,2.167132143,1.786179762,2.148543594,2.248537188,0.209068641,0.313704635,0.506608486,0.593340009,0.510840546,0.488074979,6.73287657,12.24801054,15.19568322,15.57961656,11.23125058,15.11364117,27.64912502,21.52784026,20.22732625,19.62950922,25.40918819,19.8055605,5.142857143,1.5,1.185185185,0,0,0,2.23,0.9863,0.5,3.265986324,0,2,4.242640687,0,2.828427125,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.111,0.198,0.227,3.211,10,9,9,4,0,0,0,0,0,46,2.079441542,2.397895273,2.302585093,2.302585093,1.609437912,0,0,0,0,0,3.850147602,1,0.333333333,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,0,2,3,0.5,2.5,0.888888889,0.444444444,0,0,0,0,0,0,0,0.357142857,0.088888889,0.111111111,0,0,0,0,0,0,0,0.557142857,11.38664112,16.27413364,22.77328225,3.253326035,11.38667429,0.009282352,0.00132605,-3.275748196,31.77968915,4.539955593,2.421179166,0,117.2718924,3.807354922,3.555348061,4.290459441,5.153291594,5.910796644,6.771935556,7.539558829,8.395025557,9.169622539,10.01935765,74.80539587,2.708050201,0,4.007333185,2.397895273,5.468060141,4.59511985,6.991176887,6.529418838,8.543835122,8.898911906,98.10955045,4.671883355,13.37040043,1.910057204,0,0,0,39,4,3.959,34,1.343117981,2.388874078,3.291932355,3.861754203,4.795163184,0,0,0,0,0,95.70321648,112.149332,68.8779076,18.92409842,4.872192686,0,0,0,0,0,339.7181944,443.4687559,407.7944995,233.1760201,149.0516269,0,0,0,0,0,9.8140227,17.11147376,23.28604483,26.48492048,32.21613123,0,0,0,0,0,2.502707816,3.485700638,3.688477291,2.621697328,2.131991433,0,0,0,0,0,189.8352978,362.060893,517.6150711,671.1045041,886.7103171,0,0,0,0,0,2.595680055,3.981639773,5.335976018,4.811806205,4.795163184,0,0,0,0,0,0.516208864,0.728414912,0.788675383,0.581543897,0.49102471,0,0,0,0,0,287.1220645,102.0276927,7.300263134,58.77752958,-20.88636322,-3.188061369,228.3445349,122.9140559,10.4883245,0.830073436,0.29496332,0.021105151,0.169926564,-0.060382734,-0.009216725,99.31540555,35.29133749,2.525158055,20.33112362,-7.224584558,-1.102749133,0.076103537,0.168318214,1.116204332,1.550960592,345.8995941,0,1,0,340.3421315,18.44836393,6.981872358,475.9606367,21.8165221,7.807710088,569.7796819,23.87005827,8.290275939,1.099740677,1.059730873,319.2836083,303.6896648,146.6756519,1.051348285,2.176800336,2.070484507,3.939354211,3.828720141,6.541971623,0.708657562,3.904607748,3.492913741,3.766697248,15.07625671,9.588210516,10.84563816,7.60474172,9.515132087,3.603133359,0.945844567,1.497734646,0.838483325,7.74E-10,1.38E-40,4.74E-93,3.14E-167,4.01E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,3.492623747,0.757240322,4.995787849,2.260247985,1.311609197,0.359922187,0.57275864,0.158914013,0.078680117,0.010549893,0.005905507,5.45E-12,9.71E-43,3.34E-95,2.21E-169,2.83E-265,0,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,3.492643676,1.091892783,6.686115822,3.216276565,2.376566661,1.260156246,1.521379345,0.60751531,0.254448983,0.109928399,0.061539932,5.68E-11,1.01E-41,3.48E-94,2.30E-168,2.95E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,3.492882097,3.483532426,14.3291953,8.948646995,9.950253201,6.95653377,8.657536016,3.302269231,0.892319458,1.334455449,0.747073547,6.90E-10,1.23E-40,4.22E-93,2.80E-167,3.58E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,3.492669015,1.404652663,7.955535113,4.032827556,3.369255608,2.049933477,2.432890579,0.991013739,0.375476353,0.238776155,0.133672956,1.23E-10,2.20E-41,7.55E-94,5.01E-168,6.40E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,3.493046676,4.927454473,17.98982863,12.17303678,14.51477862,10.23716877,13.04257679,4.819299091,1.144521184,2.184301224,1.222849127,1.13E-09,2.01E-40,6.91E-93,4.58E-167,5.85E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,2.591502624,3.096948703,1.871394817,10.81481716,6.052549118,5.373633399,3.733656059,4.508357575,2.059709349,0.559200435,0.57986985,0.324627618,3.00E-10,5.34E-41,1.83E-93,1.22E-167,1.55E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,3.118894034,1.35502221,1.25797003,0.544130481,0.236400749,0.448805338,0.448610405,0.474352451,5.731886274,9.854223238,20.90250558,0.316195721,1.371768194,2.432780754,0.82742418,0.668100661,0.619295189,0.210631317,0.272566937,0.148117487,0.137687866,3.928305595,4.191086691,9.464239912,0.428942783,0.558372291,2.705207511,1.034324358,0.905097429,0.582437766,0.222692553,0.337264949,0.237193129,0.251309933,4.644629298,6.182702704,13.35985075,0.373656649,0.82576801,3.101900643,1.341598652,1.243735402,0.545414566,0.235896481,0.443907142,0.437145617,0.464529538,5.687234698,9.688043107,20.5510898,0.318121849,1.345582296,2.826672602,1.127407269,1.009844386,0.569443137,0.227120159,0.368350577,0.287168418,0.311667233,4.963924257,7.179816596,15.36192429,0.354164706,0.967186228,3.172097911,1.397231039,1.302349487,0.540236995,0.237961096,0.464316369,0.486483137,0.505076186,5.871678437,10.38301687,22.02690835,0.310355492,1.455875692,3.108251891,1.344424012,1.247993432,0.545243323,0.235836168,0.445749042,0.446545587,0.465156691,5.700669335,9.735718758,20.65151362,0.317864984,1.35745132 +UMLRON0184,L,"1,1-Dimethylcyclopentane",CC1(CCCC1)C,15421,,"Sandia, UML",[1],C7H14,PubChem,,92.3,0,-0.6076,0.36917776,26.3399,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1477.025768,964.65466,533.889554,141.39216,12.192768,0,0,3399.790734,4570.930941,6619.957195,5882.175964,3751.553998,1769.041052,373.0049332,0,0,146.842108,152.43046,299.130272,404.93416,324.596936,205.5456,80.621568,0,0,25.74688067,35.11192034,54.8202553,55.23263902,37.62614601,20.0277012,5.335354858,0,0,3476.407621,3031.276161,6474.882305,9538.877504,8002.571176,5229.578518,2219.011824,0,0,31.02777778,38.08333333,64.91666667,78.83333333,62,37,12,0,0,48.76541633,56.15943233,35.16728019,16.6319769,11.35935221,4.713072,1.016064,0,0,161.8947969,217.6633782,157.6180285,101.416827,79.82029783,58.96803508,31.08374443,0,0,6.992481333,7.258593333,7.122149333,6.981623448,6.906317787,6.85152,6.718464,0,0,1.226041937,1.671996207,1.305244174,0.95228688,0.800556298,0.66759004,0.444612905,0,0,165.54322,144.3464838,154.1638644,164.4634052,170.2674718,174.3192839,184.917652,0,0,1.477513228,1.813492063,1.545634921,1.359195402,1.319148936,1.233333333,1,0,0,0.028683677,-0.001665962,-0.009502807,-0.010467147,0.001210158,-0.00118001,0.00726393,0,0,564.9747087,5.76E-13,-161.4213453,-269.0355756,-13.45177878,-5.01E-13,161.4213453,0,0,1050.594596,0,-300.1698846,-500.283141,-25.01415705,1.42E-13,300.1698846,0,0,0.110674667,1.58E-15,-0.031621333,-0.052702222,-0.002635111,-1.12E-15,0.031621333,0,0,4.696646663,7.55E-15,-1.341899046,-2.236498411,-0.111824921,-5.02E-15,1.341899046,0,0,25.51225921,2.09E-14,-7.289216918,-12.14869486,-0.607434743,-1.13E-14,7.289216918,0,0,1.661375661,-0.349206349,-0.517195767,-0.096497858,0.010519022,-0.278155707,0.399848828,0,0,0.001365889,-7.93E-05,-2.26E-04,-1.80E-04,2.57E-05,-3.93E-05,6.05E-04,0,0,26.90355756,2.74E-14,-3.843365365,-4.638544406,-0.286208059,-1.67E-14,13.45177878,0,0,50.0283141,0,-7.146902014,-8.625571396,-0.532216107,4.74E-15,25.01415705,0,0,0.005270222,7.54E-17,-7.53E-04,-9.09E-04,-5.61E-05,-3.75E-17,0.002635111,0,0,0.223649841,3.60E-16,-0.031949977,-0.038560317,-0.002379254,-1.67E-16,0.111824921,0,0,1.214869486,9.94E-16,-0.173552784,-0.209460256,-0.012924143,-3.77E-16,0.607434743,0,0,0.079113127,-0.016628874,-0.012314185,-0.001663756,2.24E-04,-0.009271857,0.033320736,0,0,-0.058080487,-0.165648344,-0.13212494,0.018850759,-0.028797118,0.443174591,0,0,1.02E-15,-0.142857143,-0.172413793,-0.010638298,-6.21E-16,0.5,0,0,0,-0.142857143,-0.172413793,-0.010638298,9.47E-17,0.5,0,0,1.43E-14,-0.142857143,-0.172413793,-0.010638298,-7.12E-15,0.5,0,0,1.61E-15,-0.142857143,-0.172413793,-0.010638298,-7.49E-16,0.5,0,0,8.18E-16,-0.142857143,-0.172413793,-0.010638298,-3.11E-16,0.5,0,0,-0.210191083,-0.155652866,-0.02103009,0.002828974,-0.117197452,0.421178344,0,0,1.487348494,1.286575623,1.045604518,0.860117989,0.786939709,0.004225556,0,0,1.428571429,1.326530612,1.108374384,0.820668693,0.714285714,0,0,0,1.428571429,1.326530612,1.108374384,0.820668693,0.714285714,0,0,0,1.428571429,1.326530612,1.108374384,0.820668693,0.714285714,0,0,0,1.428571429,1.326530612,1.108374384,0.820668693,0.714285714,0,0,0,1.428571429,1.326530612,1.108374384,0.820668693,0.714285714,0,0,0,1.703821656,1.098726115,0.807160114,1.024529069,1.103503185,0,0,0,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,27.77813452,13.84244028,21.13062283,27.71152455,3.958789221,13.84244316,-0.093253968,0.096451767,0.013778824,-1.637098556,31.38905264,4.484150377,2.412521433,0,11.9,12.10010405,-0.151270271,0.048850063,5.392996342,8.077254951,7,21,21,21,7,0,0,0,0,0,15.304898,3.647787381,3.021440864,2.459820995,2.333928549,1.614437775,1.19006016,0.90129777,0.083923071,1.84856911,1.724171079,1.450086455,0.858665118,0.757863935,0.599202866,0.342753438,0.083923071,3.671939768,3.062393404,2.510897621,2.389140141,1.708805736,1.30885592,1.030454092,0.270913902,1.788978482,1.655976007,1.359643119,0.728794522,0.62194973,0.450646282,0.180101225,0.270913902,3.778083811,3.241304403,2.734801489,2.629214171,2.094567724,1.778468089,1.535538228,0.943918427,1.615918511,1.452583651,1.078375163,0.30272884,0.172849073,0.05241732,0.385488991,0.943918427,3.689726204,3.092533223,2.548571849,2.42975998,1.776860463,1.39352899,1.122168703,0.399277246,1.751218884,1.612285733,1.300689189,0.642372585,0.531260614,0.350686873,0.069694815,0.399277246,3.829816881,3.327119566,2.841861735,2.742891592,2.264406843,1.978039144,1.74770537,1.207644823,1.562710917,1.38842831,0.986158122,0.155202657,0.016182923,0.233608016,0.596747543,1.207644823,3.693106554,3.226609051,2.607153007,2.523408499,1.928706972,1.554062227,1.280899197,0.646153846,1.711484768,1.5567116,1.135299283,0.464111875,0.373734403,0.172430898,0.122904243,0.646153846,0,0,0,0,0,1,5,1,0,0,0,0.144337567,0.102062073,0.102062073,0,0,0.144337567,0.102062073,0.102062073,0.204124145,0,0,0,0.204124145,0,0,0,0.49279928,0.594861352,0.204124145,0.49279928,0.594861352,0.204124145,5.112884175,3.431851653,2.558730745,2.052095141,1.418611262,0.49279928,0.204124145,0,0.730412025,0.490264522,0.319841343,0.228010571,0.157623474,0.12319982,0.102062073,0,5.112884175,3.431851653,2.558730745,2.052095141,1.418611262,0.49279928,0.204124145,0,0.730412025,0.490264522,0.319841343,0.228010571,0.157623474,0.12319982,0.102062073,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.5866,32.249,22.87726984,33.16178179,45.75453968,6.536362811,22.87726984,0.106509552,0.01521565,-1.567664427,23.73191568,3.390273668,2.216774557,44,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,1,0,5,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,2.301574074,0,7.434537037,0,0,0,1.097222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.301574074,0,1.416666667,0,0,0,1.097222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.301574074,0,1.510416667,0,0,0,1.097222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.83333333,1.547619048,0.2,2.301574074,0.2,1.097222222,5.044046296,0.236111111,0.301574074,0.644814815,0.236111111,0.301574074,0.644814815,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.14286,0.14286,0,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.53706,0.93387,6.53706,0,0,3.43185,0.49026,3.43185,0,0,-0.01785,-0.00255,0.06815,0.00974,0.238095238,7,0,0,0,0,0,0,1,0.918295834,1.301240785,2.262362377,2.855904922,2.891851946,2.606137661,19.28421252,27.3260565,47.50960993,59.97400337,60.72889087,54.72889087,0.209068641,0.296253813,0.515072605,0.650204584,0.658388652,0.593340009,3.474021589,3.091076637,2.129955045,1.5364125,1.500465476,1.786179762,0.209068641,0.296253813,0.515072605,0.650204584,0.658388652,0.593340009,6.73287657,11.32821599,14.83801525,16.87821207,14.42555679,15.57961656,27.64912502,22.75804088,20.11514464,17.85206274,20.67668291,19.62950922,5.142857143,2.34375,1.185185185,2,0,2,2.23,0.9863,0,1.850535862,0.5,0,5.676240019,3.789291416,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,3.395,8,9,9,4,2,0,0,0,0,46,2.079441542,2.197224577,2.302585093,2.302585093,1.609437912,1.098612289,0,0,0,0,3.850147602,1,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,2,0.285714286,0,2,4,1,1,0.444444444,0.222222222,0.125,0,0,0,0,0,0,0.142857143,0.055555556,0.055555556,0.0625,0,0,0,0,0,0,0.316468254,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,0,117.2718924,3.807354922,3.433987204,4.17438727,4.934473933,5.693732139,6.459904454,7.22329568,7.990576882,8.755107122,9.522446728,72.18791141,2.708050201,0,3.850147602,2.397895273,5.176149733,4.442651256,6.577861358,6.259581464,8.017966703,8.436416881,98.10955045,4.671883355,13.58523637,1.940748052,0,0,0,43,4,3.922,30,1.343117981,2.390692085,3.210325243,4.004198754,5.06631913,6.164327026,0,0,0,0,95.70321648,95.61595469,62.23573983,55.47485422,26.45975158,6.263350776,0,0,0,0,339.7181944,410.0402052,351.5421791,355.316314,318.2240234,191.6103659,0,0,0,0,9.8140227,17.10320877,22.47497521,27.76408163,34.80490719,41.41480921,0,0,0,0,2.502707816,3.324005922,3.217759812,3.445317846,3.537941431,2.740739346,0,0,0,0,189.8352978,363.0528976,523.5023825,673.461746,875.7556973,1139.89288,0,0,0,0,2.529045824,3.797345526,4.463666479,5.480270411,6.41522856,6.164327026,0,0,0,0,0.516208864,0.698107518,0.690818793,0.747477988,0.783197475,0.631227088,0,0,0,0,305.8151953,111.2090271,7.86049103,53.87153995,-19.59026772,-2.920773702,251.9436553,130.7992948,10.78126473,0.850226504,0.309183009,0.021853714,0.149773496,-0.054464805,-0.008120326,109.9976692,40.00041189,2.827314356,19.37687833,-7.046359437,-1.050563557,0.082146845,0.178551061,0.966780438,1.645250697,359.6867352,0,1,0,340.3421315,18.44836393,6.981872358,475.9606367,21.8165221,7.807710088,539.5784135,23.22882721,8.14113311,1.438297937,1.049065191,449.8613812,394.9927334,106.9611802,1.138910525,4.205837859,3.69286065,4.134407277,4.389230947,7.584798812,0.728047329,3.904607748,3.492895216,3.16846732,11.18985242,9.600371423,8.362736535,7.633129113,9.901339579,3.177345189,1.682803851,1.290182808,1.540262782,1.028073422,1.40269756,3.26E-08,4.21E-37,1.05E-87,5.02E-160,4.65E-254,0,0,0,0,0,0,0,0,0,0,0,0.327686671,3.492623617,0.7510435,4.341492281,0.721585455,1.886115837,0.307705479,0.565966676,0.140865553,0.04348663,0.71254889,0.090835969,0.029260869,0.009879314,2.30E-10,2.96E-39,7.37E-90,3.54E-162,3.28E-256,0,0,0,0,0,0,0,0,0,0,0,1.05781252,3.492642317,1.042890253,5.543208359,1.679539733,2.579331042,1.127561682,1.729186364,0.526423316,0.204783437,0.769235066,0.318550631,0.132028576,0.102950065,2.39E-09,3.09E-38,7.68E-89,3.69E-161,3.41E-255,0,0,0,0,0,0,0,0,0,0,0,3.685631203,3.492865592,2.949154615,10.70119866,8.754561779,7.743793437,6.945731082,9.067223349,2.908583318,1.521130165,1.233162434,1.427422732,0.931157029,1.249778272,2.90E-08,3.75E-37,9.32E-88,4.48E-160,4.14E-254,0,0,0,0,0,0,0,0,0,0,0,1.559021026,3.492666062,1.303093405,6.426398744,2.590832942,3.241905628,1.890913126,2.748113043,0.860651039,0.366971761,0.826326196,0.495103046,0.232597402,0.223621298,5.20E-09,6.70E-38,1.67E-88,8.01E-161,7.41E-255,0,0,0,0,0,0,0,0,0,0,0,4.715379333,3.493019659,4.061461773,13.07791821,13.07521365,10.90697839,10.449554,13.28787205,4.26654295,2.351028296,1.525894669,1.985430587,1.427525125,2.045702563,4.75E-08,6.13E-37,1.53E-87,7.33E-160,6.78E-254,0,0,0,0,0,0,0,0,0,0,0,2.600607385,3.386203908,1.861849295,8.045457924,4.839006396,4.918680024,3.71996943,5.312637361,1.636542112,0.846607209,1.150982387,0.866975643,0.548819194,0.585646981,1.36E-08,1.76E-37,4.37E-88,2.10E-160,1.94E-254,0,0,0,0,0,0,0,0,0,0,0,4.621272806,1.33590423,0.746594242,0.689354188,0.199276523,0.491832741,0.376293436,0.433667418,6.703771278,10.62117197,21.93410095,0.534031282,1.301793596,3.771716044,0.825314699,0.265397327,0.775685725,0.16973304,0.32795088,0.143684134,0.054514157,4.862428071,4.332892367,10.02146322,0.663528588,0.526149171,4.109103674,1.028097605,0.456548546,0.734588389,0.183793991,0.389076844,0.222922385,0.161685289,5.593749825,6.569941419,14.09240781,0.601882584,0.773684517,4.600237435,1.323262819,0.734684554,0.690914651,0.198742278,0.487375855,0.369208989,0.419894759,6.658184809,10.4392273,21.56967441,0.536371977,1.276479603,4.259503944,1.118489197,0.541736891,0.719543615,0.188942602,0.418005493,0.263823971,0.227863819,5.919730032,7.677666428,16.17834431,0.579315422,0.909693284,4.687129742,1.375481315,0.783879287,0.684603279,0.200903126,0.50591728,0.398908155,0.478230035,6.846490344,11.19941461,23.09962127,0.526904919,1.38305547,4.617212206,1.325136899,0.737077841,0.691258733,0.198390806,0.490949453,0.370267439,0.422666778,6.679426946,10.49841211,21.68760432,0.536888099,1.283883669 +UMLRON0185,L,Ethylcyclopentane,CCC1CCCC1,15431,Sandia values from a vairety of sources co -optima database (which are from api report) and biocompoundML since UML source [1] seems reliable would go with these,"Sandia, UML",[1],C7H14,PubChem,,67.2,0,0.9094,0.82700836,34.4366,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1323.6122,1719.157786,1553.732552,720.490514,158.665248,12.192768,0,0,3823.307636,4994.447843,7070.212022,7432.711871,5369.753649,2297.464708,373.0049332,0,0,154.382624,159.970976,299.177704,368.70992,391.4498,319.759488,80.621568,0,0,28.53578067,37.90082034,56.83310387,63.27997278,52.33056464,27.58612058,5.335354858,0,0,3603.201977,3158.070517,6485.816131,8133.2882,9158.108375,8373.178602,2219.011824,0,0,36.55555556,45.19444444,71.83333333,87.58333333,84.66666667,54,12,0,0,53.10626655,60.16419091,40.93232824,29.87947215,12.86590204,3.37585634,1.016064,0,0,173.7867107,227.0203565,168.3383815,142.9367668,95.88845801,48.88222782,31.08374443,0,0,7.017392,7.271408,7.123278667,7.090575385,6.990175,6.803393362,6.718464,0,0,1.297080939,1.722764561,1.35316914,1.216922553,0.934474369,0.586938736,0.444612905,0,0,163.781908,143.5486599,154.4241936,156.4093885,163.5376496,178.1527362,184.917652,0,0,1.661616162,2.054292929,1.71031746,1.684294872,1.511904762,1.14893617,1,0,0,0.032713161,0.005659786,-0.003938683,-0.022572847,-0.021256762,0.01691306,0.008838864,0,0,616.3360458,5.47E-13,34.01854798,-312.170205,-534.2913124,312.170205,192.1047416,0,0,1146.103196,1.85E-13,63.25894262,-580.4938264,-993.5375105,580.4938264,357.2269701,0,0,0.120736,1.75E-15,0.006664,-0.061152,-0.104664,0.061152,0.037632,0,0,5.123614541,1.03E-14,0.282796906,-2.595077495,-4.441574943,2.595077495,1.596970766,0,0,27.8315555,-2.31E-14,1.536157284,-14.09650214,-24.12670558,14.09650214,8.674770547,0,0,2.595959596,-0.361111111,0.412764004,-0.704086318,-2.415977961,1.065197429,0.70523416,0,0,0.001486962,2.57E-04,-9.38E-05,-4.34E-04,-3.80E-04,3.60E-04,7.37E-04,0,0,28.01527481,2.49E-14,0.809965428,-6.003273174,-9.540916294,6.641919256,16.00872846,0,0,52.0955998,8.40E-15,1.5061653,-11.16334282,-17.74174126,12.35093248,29.76891417,0,0,0.005488,7.96E-17,1.59E-04,-0.001176,-0.001869,0.001301106,0.003136,0,0,0.23289157,4.67E-16,0.00673326,-0.049905336,-0.079313838,0.055214415,0.133080897,0,0,1.265070705,-1.05E-15,0.036575173,-0.27108658,-0.430834028,0.299925577,0.722897546,0,0,0.117998163,-0.016414141,0.009827714,-0.013540121,-0.043142464,0.022663775,0.058769513,0,0,0.173012516,-0.063066956,-0.291932975,-0.255275568,0.242005092,0.495353667,0,0,8.88E-16,0.028911565,-0.214285714,-0.340561224,0.237082067,0.571428571,0,0,1.61E-16,0.028911565,-0.214285714,-0.340561224,0.237082067,0.571428571,0,0,1.45E-14,0.028911565,-0.214285714,-0.340561224,0.237082067,0.571428571,0,0,2.00E-15,0.028911565,-0.214285714,-0.340561224,0.237082067,0.571428571,0,0,-8.30E-16,0.028911565,-0.214285714,-0.340561224,0.237082067,0.571428571,0,0,-0.139105058,0.083287011,-0.114748578,-0.365619789,0.19206888,0.498054475,0,0,1.093607207,1.336836535,1.418338675,1.059847466,0.376319795,1.17E-04,0,0,1.3125,1.080357143,1.269230769,1.252232143,0.438829787,0,0,0,1.3125,1.080357143,1.269230769,1.252232143,0.438829787,0,0,0,1.3125,1.080357143,1.269230769,1.252232143,0.438829787,0,0,0,1.3125,1.080357143,1.269230769,1.252232143,0.438829787,0,0,0,1.3125,1.080357143,1.269230769,1.252232143,0.438829787,0,0,0,1.52188716,0.797178988,1.149468722,1.464615759,0.473321467,0,0,0,27.80465723,13.90232861,19.73761932,27.80465723,3.475582153,13.90233197,-5.33E-15,0.058203148,0.007275393,-2.275052672,33.62043725,4.202554656,2.812107307,27.80465723,13.90232861,19.73761932,27.80465723,3.475582153,13.90233197,-5.33E-15,0.058203148,0.007275393,-2.275052672,33.62043725,4.202554656,2.812107307,27.80465723,13.90232861,19.73761932,27.80465723,3.475582153,13.90233197,-5.33E-15,0.058203148,0.007275393,-2.275052672,33.62043725,4.202554656,2.812107307,27.80465723,13.90232861,19.73761932,27.80465723,3.475582153,13.90233197,-5.33E-15,0.058203148,0.007275393,-2.275052672,33.62043725,4.202554656,2.812107307,27.80465723,13.90232861,19.73761932,27.80465723,3.475582153,13.90233197,-5.33E-15,0.058203148,0.007275393,-2.275052672,33.62043725,4.202554656,2.812107307,27.80465723,13.90232861,19.73761932,27.80465723,3.475582153,13.90233197,-5.33E-15,0.058203148,0.007275393,-2.275052672,33.62043725,4.202554656,2.812107307,29.60502546,14.74695717,21.37610268,29.52169212,3.690211515,14.74695857,-0.111111111,0.176071995,0.022008999,-1.389489845,41.19252536,5.14906567,2.974605453,0,11.9,12.10012615,-0.1407896,0.060073449,6.3405,8.496510112,8,22,21,21,7,1,1,0,0,1,15.304898,3.71293732,2.985292931,2.794323602,2.393164335,1.974253101,1.234636055,1.195322508,0.083923071,1.995629999,1.521421577,1.427896794,1.213238522,0.898338466,0.560687771,0.169178302,0.083923071,3.730043233,3.020112768,2.836509094,2.455854331,2.045952967,1.348293412,1.283489205,0.270913902,1.950370214,1.441819188,1.336748356,1.108071618,0.780547699,0.40782293,0.069391593,0.270913902,3.808556457,3.176550112,3.02504491,2.719840825,2.345177612,1.803388954,1.634049502,0.943918427,1.824888124,1.208294804,1.062956524,0.769952849,0.401567678,0.114544532,0.304017635,0.943918427,3.74281971,3.04596472,2.867804894,2.501480967,2.097974459,1.429723179,1.346665065,0.399277246,1.922223225,1.391077792,1.27806659,1.038665664,0.702836693,0.3046464,7.47E-04,0.399277246,3.848787061,3.254206826,3.117516791,2.840506963,2.480809789,1.998810223,1.780392538,1.207644823,1.788145951,1.136470764,0.976981992,0.654949491,0.271990714,0.304883301,0.448494359,1.207644823,3.753339859,3.085439386,2.958675847,2.588456253,2.196866629,1.532266155,1.440710852,0.6,1.910240996,1.30413227,1.18607468,0.907713319,0.589796609,0.168355165,0.110558057,0.6,0,0,0,0,2,2,4,0,0,0,0,0,0.083333333,0.166666667,0,0,0,0.0625,0.125,0.471404521,0,0.166666667,0,0.353553391,0,0.125,0,1.138071187,1.040440115,1.138071187,0.853553391,0.780330086,0.853553391,5.983127663,3.804530453,3.239024819,2.540336414,1.501661279,1.024377395,0.333333333,0.083333333,0.747890958,0.475566307,0.323902482,0.230939674,0.150166128,0.102437739,0.083333333,0.083333333,5.828427125,3.457106781,2.767766953,2.082106781,1.207106781,0.801776695,0.25,0.0625,0.728553391,0.432138348,0.276776695,0.189282435,0.120710678,0.08017767,0.0625,0.0625,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.82299,36.572,31.15378298,42.72358734,62.30756596,7.788445745,31.15378298,2.22E-16,2.78E-17,-28.83492271,41.24325189,5.155406487,2.975590007,54,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,4,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.270833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.067361111,1.161111111,0,0,0,0,0,0,0,0,0,0,4.516851852,0,5.545648148,0,0,0,0,0,0,3.270833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.635416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.243402778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.258425926,0,1.353009259,0,0,0,0,0,0,1.635416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.635416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290277778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.258425926,0,1.419814815,0,0,0,0,0,0,1.635416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.666666667,0.290277778,2.258425926,0.026041667,1.353009259,4.163094907,0.146990741,0.258425926,1.033703704,0.146990741,0.258425926,1.033703704,4,0.5,0,0,0.44545,0.7,0.43333,0.43333,0.7,0.01212,0.01212,0,0,0.71429,0,0,0.25,0.25,0,5,0.625,4,0.5,1,0.125,-3,-0.375,0,0,7.52084,0.9401,8.47399,0.95315,0.11914,3.22688,0.40336,3.80452,0.57763,0.0722,0.10948,0.01369,0.19548,0.02444,0.272727273,8,0,0,0,0,0,0,0.75,0.945660305,1.672933032,2.663532755,2.663532755,2.663532755,2.663532755,20.8045267,36.8045267,58.59772061,58.59772061,58.59772061,58.59772061,0.212058483,0.375144901,0.597280771,0.597280771,0.597280771,0.597280771,3.513771314,2.786498587,1.795898864,1.795898864,1.795898864,1.795898864,0.209052139,0.369826488,0.588813148,0.588813148,0.588813148,0.588813148,6.786633838,15.51390657,16.51225776,16.51225776,16.51225776,16.51225776,31.28312609,20.90511218,21.74036979,21.74036979,21.74036979,21.74036979,6.125,2.52,1.487603306,0,2,0,2.34,1.0842,0.333333333,2.746356192,2.828427125,0,3.965406457,4.298279727,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.329,0.4,4.016,10,11,10,10,4,1,0,0,0,62,2.302585093,2.708050201,2.890371758,2.833213344,2.890371758,1.945910149,0.693147181,0,0,0,4.48863637,1.419354839,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,1.5,1.111111111,0.375,0.222222222,0,0,0,0,0,0,0.1875,0.111111111,0.046875,0.111111111,0,0,0,0,0,0,0.456597222,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,4.44E-16,5.55E-17,-28.28040497,30.83444818,3.854306023,2.74290601,0,131.9314183,4,3.610917913,4.369447852,5.153291594,5.932245187,6.717804695,7.501634458,8.287276756,9.072341874,9.857914707,76.50287504,2.833213344,0,4.043051268,0,5.476463552,0,7.00033446,0,8.555836815,8.796490207,110.1095504,5.004979566,15.53340973,1.941676217,0,0,0,60,8,3.022,36,1.275499099,2.222167814,3.095727616,3.854731336,4.63871771,5.476807155,0,0,0,0,90.40553411,103.6177096,101.4101614,54.37132889,16.48961697,5.564786585,0,0,0,0,321.4947716,409.1233575,467.3837464,389.8419289,233.0108345,170.2396739,0,0,0,0,9.318404158,15.9040783,22.00463558,27.01757846,31.58889213,36.79573171,0,0,0,0,2.370630693,3.217496739,3.917465295,3.745576794,2.772701118,2.435059138,0,0,0,0,180.373627,337.8319774,480.3404964,624.8012631,824.0209359,1012.75832,0,0,0,0,2.705769373,3.948736216,5.335079044,5.952747197,5.384054754,5.476807155,0,0,0,0,0.489050288,0.672511154,0.827805434,0.809096425,0.62110755,0.560825053,0,0,0,0,297.2318405,117.7070795,8.380303153,55.09803736,-21.81942907,-2.634610381,242.1338032,139.5265085,11.01491353,0.843618039,0.334082026,0.023785389,0.156381961,-0.061928977,-0.007477681,104.7236581,41.47172093,2.952631187,19.41268477,-7.687636779,-0.928251954,0.078275021,0.185937935,1.906495784,0.491189773,352.3298779,0,1,0,489.7296186,22.12983548,7.882284818,625.3481237,25.00696151,8.551466861,823.0135674,28.68821304,9.371353741,1.686046537,1.686046537,435.5621875,290.8248631,177.492561,1.497678647,2.453974324,1.638518603,4.013448674,4.090360549,6.188277901,0.512893015,3.904753167,4.841208199,3.381878436,16.47429516,14.2976071,7.75889771,6.962179208,14.69338912,5.768952381,4.772189346,2.689763045,6.46E-05,2.43E-29,1.88E-75,2.82E-143,8.14E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327832077,4.265729519,0.347614182,5.724639604,4.552462624,0.457499485,1.140540382,2.929807669,0.202183007,0.143568586,0.018944222,4.55E-07,1.71E-31,1.33E-77,1.98E-145,5.73E-235,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.057957927,4.304184645,0.899835213,7.336470031,5.705351641,1.602358304,2.028977945,4.32459716,0.838466293,0.632754208,0.197413391,4.74E-06,1.78E-30,1.38E-76,2.07E-144,5.97E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.68577662,4.778025858,3.172372109,15.61017391,13.40516013,7.189680565,6.499693967,13.61719718,5.251270705,4.327647163,2.396530448,5.76E-05,2.16E-29,1.68E-75,2.51E-143,7.25E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559166434,4.354043283,1.298852001,8.615868729,6.7450894,2.490857722,2.72790396,5.580899868,1.423719038,1.103846195,0.428808264,1.03E-05,3.87E-30,3.00E-76,4.49E-144,1.30E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715524757,5.10688131,4.184553365,19.90768456,17.93785901,10.00523646,8.795009622,19.08229322,7.886537707,6.60113826,3.922766611,9.42E-05,3.54E-29,2.74E-75,4.11E-143,1.19E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.409846192,4.509475531,1.922074352,10.56369977,8.395651879,4.046632156,3.936601016,8.377456969,2.456526037,2.232877272,0.968314699,2.33E-05,8.74E-30,6.78E-76,1.01E-143,2.93E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.491666701,2.233524734,0.533336928,0.557905389,0.356876985,0.598560369,0.591046432,0.371993216,6.258528363,10.85217995,21.27005579,0.372173561,1.561600017,2.494267931,1.463899549,0.148702523,0.607340366,0.356451397,0.305472655,0.253815233,0.028648492,4.106870003,4.23994719,8.889783296,0.445687644,0.58793638,2.874067158,1.756927619,0.295221772,0.583422821,0.356648475,0.405563906,0.365640124,0.113415391,4.926216549,6.416698452,12.83364559,0.410106945,0.884619421,3.465258923,2.213144117,0.523158256,0.558772018,0.356868861,0.589541755,0.580303776,0.357868201,6.201561297,10.63982083,20.85354422,0.373461319,1.527713732,3.050090608,1.892753042,0.363103062,0.574843807,0.356722965,0.456754973,0.424385169,0.171849493,5.305946712,7.567829942,14.96999542,0.397350158,1.052989635,3.574948884,2.297800014,0.565435994,0.55527279,0.356901837,0.627450772,0.625572,0.418336929,6.438184892,11.53518121,22.61815002,0.368261939,1.671359702,3.471256072,2.217073506,0.524061151,0.558763321,0.356879276,0.591558846,0.582329133,0.359153752,6.212390729,10.67706242,20.92264342,0.373463895,1.533041732 +UMLRON0186,L,"1,2-dimethylcyclohexene",CC1=C(CCCC1)C,15480,,UML,[1],C8H14,PubChem,,89.7,0,-0.8956,0.80209936,29.2515,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1670.734305,1449.939631,815.395899,344.245273,76.792464,6.096384,0,3885.475125,5223.921076,7533.504307,7736.008113,5561.508657,2962.341864,1071.022993,186.5024666,0,167.819552,174.20624,341.85978,482.900092,437.30526,308.741284,143.083584,40.310784,0,29.42500648,40.12790896,62.50794544,69.83196788,54.44248504,31.71690749,12.68152803,2.667677429,0,3973.037281,3464.315612,7399.084504,11271.42137,10553.38416,7818.039585,3724.295171,1109.505912,0,35.27777778,43.33333333,74.16666667,95.33333333,84.41666667,56,24.5,6,0,48.76541633,56.15943233,34.80696469,21.01361784,12.94279205,7.649894956,3.656784,1.016064,0,161.8947969,217.6633782,156.9480064,112.1160596,88.2779152,65.8298192,51.00109489,31.08374443,0,6.992481333,7.258593333,7.12207875,6.998552058,6.941353333,6.860917422,6.813504,6.718464,0,1.226041937,1.671996207,1.302248863,1.012057505,0.864166429,0.704820166,0.603882287,0.444612905,0,165.54322,144.3464838,154.1475938,163.3539329,167.5140344,173.734213,177.3473891,184.917652,0,1.469907407,1.805555556,1.545138889,1.381642512,1.33994709,1.244444444,1.166666667,1,0,0.032865025,-0.001666055,-0.011594894,-0.005843866,-0.007829465,0.003877311,0.002993426,0.003631031,0,645.6853813,6.61E-13,-201.7766817,-161.4213453,-201.7766817,80.71067267,80.71067267,80.71067267,0,1200.679538,0,-375.2123557,-300.1698846,-375.2123557,150.0849423,150.0849423,150.0849423,0,0.126485333,2.94E-15,-0.039526667,-0.031621333,-0.039526667,0.015810667,0.015810667,0.015810667,0,5.367596186,1.23E-14,-1.677373808,-1.341899046,-1.677373808,0.670949523,0.670949523,0.670949523,0,29.15686767,-1.14E-13,-9.111521147,-7.289216918,-9.111521147,3.644608459,3.644608459,3.644608459,0,1.828703704,-0.347222222,-0.601851852,0.052662037,-0.337384259,0.071180556,0.052662037,0.195601852,0,0.001369376,-6.94E-05,-2.42E-04,-8.47E-05,-1.24E-04,8.62E-05,1.43E-04,6.05E-04,0,26.90355756,2.75E-14,-4.203680868,-2.339439787,-3.202804471,1.793570504,3.843365365,13.45177878,0,50.0283141,0,-7.816924078,-4.350288182,-5.955751678,3.33522094,7.146902014,25.01415705,0,0.005270222,1.22E-16,-8.23E-04,-4.58E-04,-6.27E-04,3.51E-04,7.53E-04,0.002635111,0,0.223649841,5.11E-16,-0.034945288,-0.019447812,-0.026624981,0.014909989,0.031949977,0.111824921,0,1.214869486,-4.74E-15,-0.189823357,-0.105640825,-0.14462732,0.080991299,0.173552784,0.607434743,0,0.076195988,-0.014467593,-0.01253858,7.63E-04,-0.005355306,0.00158179,0.002507716,0.032600309,0,-0.050693872,-0.17640172,-0.061848398,-0.090754632,0.062920968,0.104094184,0.44193255,0,1.02E-15,-0.15625,-0.086956522,-0.119047619,0.066666667,0.142857143,0.5,0,0,-0.15625,-0.086956522,-0.119047619,0.066666667,0.142857143,0.5,0,2.32E-14,-0.15625,-0.086956522,-0.119047619,0.066666667,0.142857143,0.5,0,2.29E-15,-0.15625,-0.086956522,-0.119047619,0.066666667,0.142857143,0.5,0,-3.90E-15,-0.15625,-0.086956522,-0.119047619,0.066666667,0.142857143,0.5,0,-0.189873418,-0.164556962,0.010016511,-0.070283303,0.020759494,0.032911392,0.427848101,0,1.489122222,1.312816003,1.010163939,1.001251096,0.723011392,0.566900348,0.004224615,0,1.4375,1.34765625,1.0625,0.992559524,0.670833333,0.513392857,0,0,1.4375,1.34765625,1.0625,0.992559524,0.670833333,0.513392857,0,0,1.4375,1.34765625,1.0625,0.992559524,0.670833333,0.513392857,0,0,1.4375,1.34765625,1.0625,0.992559524,0.670833333,0.513392857,0,0,1.4375,1.34765625,1.0625,0.992559524,0.670833333,0.513392857,0,0,1.688607595,1.135443038,0.802531646,1.045328511,0.943291139,0.823508137,0,0,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,36.08995721,17.89017551,26.87195345,36.04308221,4.505385276,17.89017558,-0.09375,0.061027138,0.007628392,-2.237149297,50.07914531,6.259893164,3.130883728,0,11.9,12.10012615,-0.151273816,0.048868363,5.483683559,8.440005411,8,24,24,24,8,0,0,0,0,0,17.491312,3.638638944,3.100978895,2.750129472,2.552099332,1.716672328,1.456797487,1.243289836,0.880330962,2.002253948,1.648590297,1.372874417,1.256911807,0.816601941,0.666206401,0.560038642,0.34407524,3.663136432,3.138355093,2.792995694,2.602603315,1.804832855,1.556142907,1.35571534,1.01303218,1.948817412,1.57043837,1.285229005,1.161173652,0.682374106,0.522081792,0.407714027,0.181674237,3.770748098,3.302851471,2.981537655,2.821160048,2.16948975,1.9628467,1.806651079,1.526992008,1.792228366,1.335571047,1.018928274,0.863796018,0.237288442,0.037619229,0.111876679,0.382625301,3.681174793,3.165923945,2.824624264,2.639679926,1.868680449,1.62787375,1.436300009,1.106883605,1.914853167,1.520179056,1.228596505,1.098791895,0.592726987,0.425347018,0.304963532,0.071464617,3.823158968,3.38252605,3.072480534,2.924462786,2.331931225,2.141548494,2.000733801,1.741325713,1.743488171,1.261232024,0.933903671,0.766506013,0.080989445,0.135164289,0.30076327,0.593182778,3.68982186,3.277623729,2.872367319,2.74133094,2.021881544,1.76481714,1.589106111,1.273980694,1.885854115,1.399854449,1.143195518,0.960854844,0.406220799,0.250745698,0.11803023,0.123015505,0,0,0,0,0,1,6,1,0,0,0,0,0.102062073,0.072168784,0,0,0,0.102062073,0.072168784,0.204124145,0,0,0,0.204124145,0,0,0,0.49279928,0.594861352,0.49279928,0.49279928,0.594861352,0.49279928,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.9767,36.866,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,1,0,6,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,2.315462963,0,8.931064815,0,0,0,1.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.315462963,0,1.416666667,0,0,0,1.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.315462963,0,1.510416667,0,0,0,1.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.33333333,1.541666667,0.2,2.315462963,0.2,1.086805556,5.766945602,0.246527778,0.315462963,0.672592593,0.246527778,0.315462963,0.672592593,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.125,0.125,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.02289,1.00286,8.02289,0,0,3.93185,0.49148,3.93185,0,0,-0.01785,-0.00223,0.06815,0.00852,0.25,8,0,0,0,0,0,0,1,0.918295834,1.272055209,2.177694271,2.803508855,3.022055209,2.621653522,22.03910002,30.52932501,52.26466251,67.28421252,72.52932501,62.91968454,0.200284263,0.277440701,0.474964467,0.611457314,0.659123212,0.571793885,3.666666667,3.312907292,2.40726823,1.781453646,1.562907292,1.963308978,0.200284263,0.277440701,0.474964467,0.611457314,0.659123212,0.571793885,6.73287657,10.97798907,14.41423191,16.87697267,15.8354706,13.2084235,31.59900002,26.53208126,23.53333386,20.31328386,21.55213073,25.91927858,6.125,3.111111111,1.8,2,0,2,2.34,1.1272,0,2.00414513,0.5,0,7.732315986,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,3.894,9,10,10,10,4,2,0,0,0,61,2.197224577,2.302585093,2.397895273,2.397895273,2.397895273,1.609437912,1.098612289,0,0,0,4.127134385,1,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,2,0.25,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,0,134.567877,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,112.1252005,4.671883355,15.69266546,1.961583183,0,0,0,64,7,4.491,34,1.224166127,2.09537562,2.804834728,3.523444903,4.011401076,4.603236608,5.359741897,0,0,0,78.54273178,80.84874126,62.70646424,47.75628327,32.73388417,17.49019423,5.445840791,0,0,0,289.3400736,350.3255304,329.6663809,316.3518511,273.0975439,239.7266082,166.6008473,0,0,0,8.917064339,14.9674467,19.68213687,24.4661223,27.55517836,31.38782208,36.00923299,0,0,0,2.17096299,2.856190846,2.94495335,3.074689391,2.892108438,2.819447784,2.383010414,0,0,0,174.752874,319.8998773,454.1517758,589.6546239,694.3347566,814.4881079,991.1108871,0,0,0,2.26269873,3.307614664,3.947346105,4.726698278,5.046382926,5.425946435,5.359741897,0,0,0,0.449298446,0.600529567,0.629752844,0.666959671,0.636627062,0.630335141,0.54883757,0,0,0,333.4456336,138.8618521,8.651530001,82.80429929,-34.48345759,-4.414359259,250.6413343,173.3453097,13.06588926,0.80107072,0.333602101,0.02078446,0.19892928,-0.082843155,-0.010605069,138.7967226,57.80123662,3.601198782,34.46728402,-14.35373691,-1.837476745,0.071732167,0.155914138,1.261555649,1.235628924,416.2499329,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,939.6153436,30.65314574,9.79452472,1.415868361,1.241251818,355.1804338,291.6071816,145.3204218,1.218009899,2.444119206,2.006649706,3.71989429,3.779648656,6.126310731,0.620867781,5.243051683,6.014024931,8.513915367,13.18809304,17.55879253,12.43889378,9.700408074,7.298739803,6.162004989,0.651560198,1.479305349,8.62E-07,7.06E-34,1.12E-82,3.40E-153,2.00E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380612772,5.574192587,0.653170922,4.643853419,0.976697237,1.702879483,1.183325619,0.799535726,0.266661521,0.007844858,0.010418869,6.07E-09,4.97E-36,7.86E-85,2.40E-155,1.41E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.266797814,5.603583911,2.124525578,5.393484148,3.427454621,3.385652578,1.940256922,1.451372632,1.025859602,0.056185781,0.108572643,6.32E-08,5.18E-35,8.19E-84,2.50E-154,1.47E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.907756237,5.965735494,7.985567707,12.31322416,16.21322965,11.60168985,8.831745494,6.662145119,5.643964643,0.582770263,1.318034433,7.68E-07,6.29E-34,9.94E-83,3.03E-153,1.78E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.906711325,5.641690531,3.17411155,6.203349214,5.387147199,4.691860079,2.751319974,2.099197116,1.678907721,0.114031088,0.235834289,1.37E-07,1.13E-34,1.78E-83,5.42E-154,3.19E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.527214959,6.217075305,10.52364848,16.8267774,22.91597208,15.74300603,13.3109542,9.926809821,8.258486401,0.939619583,2.157427824,1.26E-06,1.03E-33,1.63E-82,4.96E-153,2.92E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.301511198,5.560300223,5.236860804,8.436831646,9.662088603,7.782191242,5.078698126,4.016452652,3.361698908,0.283109622,0.622410432,3.63E-07,2.97E-34,4.70E-83,1.43E-153,8.42E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.889365727,1.485315347,0.834371974,0.554681571,0.285141144,0.50704049,0.542585153,0.434089471,5.209053049,7.941730544,16.73159043,0.332022356,1.483715113,2.241579503,0.932625616,0.366139398,0.63315293,0.263427927,0.306404037,0.213186479,0.083386356,3.540344517,3.252756015,7.558534884,0.449729395,0.602976873,2.498542509,1.152109781,0.552449091,0.594452116,0.274109444,0.37996846,0.325837073,0.1902391,4.203101381,4.895394803,10.68877352,0.391678174,0.896044633,2.873297956,1.471630168,0.822812403,0.556006622,0.284772457,0.501454206,0.53259703,0.422162277,5.167740527,7.803492705,16.45043949,0.334009934,1.456213513,2.613220814,1.249955745,0.635342836,0.580906868,0.277859366,0.415352855,0.38376552,0.251715999,4.498519395,5.72085192,12.29466174,0.371360302,1.050834374,2.939678728,1.528160414,0.870552383,0.550667502,0.286258587,0.524733949,0.57445701,0.4724786,5.338391524,8.381788671,17.63096324,0.326001254,1.571669558,2.882852765,1.474154767,0.82555369,0.556260243,0.28444522,0.504634157,0.534419918,0.424939618,5.182561222,7.846714793,16.53769027,0.334390365,1.463993693 +UMLRON0187,L,Ethylcyclohexane,CCC1CCCCC1,15504,,"Sandia, UML",[9],C8H16,PubChem,,46.5,0,-0.64,0.4096,33.7033,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,1864.442842,1646.69636,1133.218637,728.614155,338.148889,76.792464,6.096384,4371.159516,5876.91121,8447.051418,8742.806458,6793.434416,4696.184854,2775.839397,1071.022993,186.5024666,188.796996,195.98202,384.589288,545.784992,500.213876,374.044908,268.4305,143.083584,40.310784,33.10313229,45.14389758,70.19563559,78.85349674,64.47043818,45.75844906,29.04923006,12.68152803,2.667677429,4469.666941,3897.355064,8323.286703,12750.37653,12037.80623,9111.691027,6708.533673,3724.295171,1109.505912,39.52777778,48.58333333,83.5,107.1666667,94.91666667,72.25,50,24.5,6,48.76541633,56.15943233,34.5267193,21.11149179,15.73914774,13.49285472,8.670484333,3.656784,1.016064,161.8947969,217.6633782,156.4268781,112.0872623,94.35325577,86.96638618,71.17536916,51.00109489,31.08374443,6.992481333,7.258593333,7.122023852,6.997243487,6.947414944,6.926757556,6.882833333,6.813504,6.718464,1.226041937,1.671996207,1.299919178,1.010942266,0.895422753,0.847378686,0.744852053,0.603882287,0.444612905,165.54322,144.3464838,154.134939,163.4663657,167.1917532,168.735019,172.0136839,177.3473891,184.917652,1.46399177,1.799382716,1.546296296,1.373931624,1.318287037,1.337962963,1.282051282,1.166666667,1,0.037069505,-0.00163772,-0.013958174,-0.007365088,-0.001077498,-3.91E-04,-6.90E-04,0.002954977,0.003629962,726.396054,7.32E-13,-242.132018,-161.4213453,-80.71067267,-40.35533633,-5.01E-13,80.71067267,80.71067267,1350.764481,-5.26E-13,-450.2548269,-300.1698846,-150.0849423,-75.04247115,7.11E-15,150.0849423,150.0849423,0.142296,2.04E-15,-0.047432,-0.031621333,-0.015810667,-0.007905333,-1.12E-15,0.015810667,0.015810667,6.038545709,1.65E-14,-2.01284857,-1.341899046,-0.670949523,-0.335474762,-9.33E-15,0.670949523,0.670949523,32.80147613,-2.00E-13,-10.93382538,-7.289216918,-3.644608459,-1.822304229,1.11E-13,3.644608459,3.644608459,1.995884774,-0.345679012,-0.602880658,-0.363625972,0.268175583,-0.062757202,-0.129858253,0.046410608,0.192272519,0.001372945,-6.07E-05,-2.58E-04,-9.44E-05,-1.50E-05,-7.24E-06,-1.77E-05,1.41E-04,6.05E-04,26.90355756,2.71E-14,-4.483926259,-2.069504427,-1.120981565,-0.747321043,-1.28E-14,3.843365365,13.45177878,50.0283141,-1.95E-14,-8.33805235,-3.848331854,-2.084513087,-1.389675392,1.82E-16,7.146902014,25.01415705,0.005270222,7.55E-17,-8.78E-04,-4.05E-04,-2.20E-04,-1.46E-04,-2.88E-17,7.53E-04,0.002635111,0.223649841,6.11E-16,-0.037274974,-0.017203834,-0.009318743,-0.006212496,-2.39E-16,0.031949977,0.111824921,1.214869486,-7.40E-15,-0.202478248,-0.093451499,-0.050619562,-0.033746375,2.85E-15,0.173552784,0.607434743,0.073921658,-0.012802926,-0.011164457,-0.004661871,0.003724661,-0.00116217,-0.003329699,0.002210029,0.03204542,-0.044179719,-0.18827031,-0.068774959,-0.010900115,-0.005272312,-0.012892493,0.102490081,0.440654094,1.01E-15,-0.166666667,-0.076923077,-0.041666667,-0.027777778,-4.77E-16,0.142857143,0.5,-3.89E-16,-0.166666667,-0.076923077,-0.041666667,-0.027777778,3.64E-18,0.142857143,0.5,1.43E-14,-0.166666667,-0.076923077,-0.041666667,-0.027777778,-5.47E-15,0.142857143,0.5,2.73E-15,-0.166666667,-0.076923077,-0.041666667,-0.027777778,-1.07E-15,0.142857143,0.5,-6.09E-15,-0.166666667,-0.076923077,-0.041666667,-0.027777778,2.34E-15,0.142857143,0.5,-0.173195876,-0.151030928,-0.063065028,0.050386598,-0.015721649,-0.045043616,0.029896907,0.433505155,1.490006862,1.335971829,1.014712935,0.899664261,0.922097328,0.844236315,0.569520263,0.004250454,1.444444444,1.364197531,1.055555556,0.93287037,0.882716049,0.777777778,0.515873016,0,1.444444444,1.364197531,1.055555556,0.93287037,0.882716049,0.777777778,0.515873016,0,1.444444444,1.364197531,1.055555556,0.93287037,0.882716049,0.777777778,0.515873016,0,1.444444444,1.364197531,1.055555556,0.93287037,0.882716049,0.777777778,0.515873016,0,1.444444444,1.364197531,1.055555556,0.93287037,0.882716049,0.777777778,0.515873016,0,1.675257732,1.145876289,0.888402062,0.751353093,1.08556701,1.127319588,0.852945508,0,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,47.01947686,23.35246984,35.77305197,46.9671792,5.218575466,23.35246984,-0.094135802,0.102001372,0.011333486,-2.054492115,60.42094305,6.713438117,3.691202206,0,11.9,12.1001487,-0.15127037,0.048894141,5.305339789,8.754380452,9,27,27,27,9,0,0,0,0,0,19.677726,3.647140482,3.219455432,2.750129472,2.750129472,2.139618252,1.456797487,1.456797487,1.217470913,2.00709515,1.732765063,1.372874417,1.372874417,1.042600721,0.666206401,0.666206401,0.554117655,3.671375225,3.254744234,2.792995694,2.792995694,2.208065273,1.556142907,1.556142907,1.333166878,1.954149085,1.659580172,1.285229005,1.285229005,0.92664415,0.522081792,0.522081792,0.40079495,3.777847985,3.409272454,2.981537655,2.981537655,2.498084193,1.9628467,1.9628467,1.793350348,1.799105768,1.439907919,1.018928274,1.018928274,0.553346211,0.037619229,0.037619229,0.124006526,3.689220616,3.280722665,2.824624264,2.824624264,2.258008815,1.62787375,1.62787375,1.415821611,1.920507121,1.612560919,1.228596505,1.228596505,0.850035057,0.425347018,0.425347018,0.297260455,3.829719829,3.483840753,3.072480534,3.072480534,2.631210132,2.141548494,2.141548494,1.990035365,1.750873166,1.37026739,0.933903671,0.933903671,0.426596575,0.135164289,0.135164289,0.315806421,3.695193978,3.381381152,2.909049071,2.875016701,2.395729905,1.775724201,1.76714593,1.576445279,1.8929542,1.502701124,1.140639906,1.111884327,0.677472207,0.248510677,0.241059616,0.105111035,0,0,0,0,0,1,7,1,0,0,0,0,0.102062073,0.072168784,0,0,0,0.102062073,0.072168784,0.204124145,0,0,0,0.204124145,0,0,0,0.433012702,0.65464793,0.637136847,0.433012702,0.65464793,0.637136847,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.3668,41.483,37.50463196,54.26687178,75.00926391,8.334362657,37.50463196,0.136437528,0.015159725,-1.792699594,35.3218919,3.924654656,3.208052645,81,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,1,0,7,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,2.300204082,0,10.43243481,0,0,0,1.100694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.300204082,0,1.393518519,0,0,0,1.100694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.300204082,0,1.521666667,0,0,0,1.100694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.83333333,1.537037037,0.2,2.300204082,0.2,1.100694444,6.489916879,0.232638889,0.300204082,0.706018519,0.232638889,0.300204082,0.706018519,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.11111,0.11111,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,9.45555,1.05062,9.45555,0,0,4.43185,0.49243,4.43185,0,0,-0.01785,-0.00198,0.06815,0.00757,0.222222222,9,0,0,0,0,0,0,1,0.918295834,1.247104744,2.252382635,3.105653242,3.259904985,2.875076854,24.79398752,33.67182808,60.81433114,83.85263755,88.01743458,77.62707506,0.193126721,0.262278496,0.473698407,0.653149678,0.68559035,0.604657177,3.836591668,3.507782759,2.502504867,1.64923426,1.494982518,1.879810648,0.193126721,0.262278496,0.473698407,0.653149678,0.68559035,0.604657177,6.73287657,10.67858349,15.82059603,17.80210667,16.63642306,15.43434845,35.54887502,30.33929922,23.96075827,21.47958936,22.91350502,25.1084403,7.111111111,3.92,2.380165289,3,0,3,2.45,1.2681,0,2.085481947,0.333333333,0,9.563073858,4.445544946,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,4.393,10,11,12,12,6,4,2,0,0,75,2.302585093,2.397895273,2.48490665,2.564949357,2.564949357,1.945910149,1.609437912,1.098612289,0,0,4.33073334,1,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.222222222,3,0.333333333,1,3,6,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.04,0,0,0,0,0.111111111,0.044444444,0.0234375,0.030222222,0.030092593,0.04,0,0,0,0,0.27930787,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,0,151.8638616,4.169925001,3.663561646,4.394449155,5.153291594,5.905361848,6.673297968,7.430707083,8.200562797,8.959440144,9.729669736,78.11034197,2.944438979,0,4.077537444,0,5.433722004,0,6.886531643,0,8.379997952,8.639410824,126.1408506,4.671883355,17.70058553,1.966731726,0,0,0,94,8,5.06,38,1.22699952,2.102660164,2.813249694,3.536616865,4.185726271,4.839380925,5.818571873,7.033430929,0,0,78.95148878,80.48584787,64.39716888,60.70102619,62.9354078,47.71045708,22.94728141,7.146415963,0,0,290.5400635,350.354845,332.9214789,348.6513742,384.5054268,368.9167075,309.3494916,218.6253695,0,0,8.938429587,15.01941066,19.73815481,24.60655538,29.04818235,33.39656385,39.70496709,47.25385249,0,0,2.17886504,2.860848416,2.961447741,3.259816517,3.678166202,3.778504474,3.61445623,3.127154156,0,0,175.1121323,320.9783708,455.8527342,588.6551804,702.2255793,825.6393825,1027.121011,1300.605533,0,0,2.261871093,3.321809198,3.941138566,4.732459675,5.708772528,6.371511819,6.901467372,7.033430929,0,0,0.45089223,0.601650815,0.632926132,0.703073914,0.796354051,0.826845369,0.807168253,0.720223327,0,0,362.4255168,170.0609301,9.36471338,84.31383456,-39.56258172,-4.515393867,278.1116822,209.6235118,13.88010725,0.811268396,0.38067148,0.020962365,0.188731604,-0.088558533,-0.010107446,161.9097403,75.97290959,4.183585981,37.66630776,-17.67416209,-2.017204127,0.063677283,0.138863406,1.119894183,1.310120061,446.7393514,0,1,0,620.8036052,24.91593075,8.530701456,795.1702547,28.19876335,9.264458536,1065.609694,32.64367771,10.21408312,1.491001818,1.442559414,546.8135834,492.8780426,159.6464513,1.10942979,3.425153387,3.087309731,4.178127543,4.301363014,7.285318514,0.693723243,5.020829967,7.856395922,8.518371581,14.92374289,18.49787271,9.022398136,12.29566,13.32567637,7.129792284,3.638205135,3.06210891,2.372835368,2.305700509,0.009974898,6.57E-23,8.36E-65,2.05E-128,9.70E-214,8.85E-321,0,0,0,0,0,0,0,0,0,0,0,0.421931389,6.528963271,0.638477052,5.643913548,1.008805835,1.546618387,1.774232507,1.959061803,0.452720353,0.225986165,0.592521029,0.142877237,0.016240519,7.03E-05,4.63E-25,5.88E-67,1.44E-130,6.83E-216,6.4E-323,0,0,0,0,0,0,0,0,0,0,0,1.360664627,6.6176658,2.087020611,6.46141896,3.561878299,2.795232573,2.822443568,3.777129059,1.257080305,0.781454234,0.957803412,0.498295397,0.169228667,7.32E-04,4.82E-24,6.13E-66,1.50E-129,7.12E-215,6.47E-322,0,0,0,0,0,0,0,0,0,0,0,4.739288689,7.710655744,7.979398902,13.97473562,17.06748771,8.466618364,11.2626015,12.45219363,6.523422178,3.379416761,2.861815014,2.201025789,2.054338526,0.008887455,5.85E-23,7.44E-65,1.83E-128,8.64E-214,7.885E-321,0,0,0,0,0,0,0,0,0,0,0,2.005075568,6.732672521,3.128881212,7.342306977,5.616397099,3.73471857,3.868453085,5.174259446,1.975100016,1.20464292,1.249774815,0.771900769,0.367584122,0.001590221,1.05E-23,1.33E-65,3.27E-129,1.55E-214,1.413E-321,0,0,0,0,0,0,0,0,0,0,0,6.063250599,8.46921352,10.57817714,18.86997618,24.20237601,11.19160597,16.56222764,16.76147161,9.599272976,4.653033769,3.859464926,3.049041618,3.362643317,0.014547452,9.58E-23,1.22E-64,2.99E-128,1.41E-213,1.2905E-320,0,0,0,0,0,0,0,0,0,0,0,3.345420989,6.875533994,5.118684202,9.69545247,10.04870925,5.674050906,6.713307382,8.425553634,3.986995032,2.092770559,2.165202268,1.514665477,0.975972031,0.00422221,2.78E-23,3.54E-65,8.68E-129,4.10E-214,3.745E-321,0,0,0,0,0,0,0,0,0,0,0,4.3022739,1.38364657,0.877642221,0.65547845,0.210807245,0.478784388,0.511651514,0.407214877,6.56356269,10.94303039,22.73104497,0.483217675,1.397650779,3.501241792,0.847000919,0.419961299,0.734289427,0.17763521,0.317579078,0.191438602,0.093133508,4.768204011,4.791648674,10.80527102,0.601434141,0.602151188,3.819255417,1.060153892,0.601852894,0.69678393,0.193414191,0.377621766,0.30011216,0.191426803,5.481262203,6.985685108,14.90384877,0.545175894,0.869160729,4.282430217,1.370362132,0.866322319,0.656903649,0.210206784,0.474391414,0.50185726,0.396777849,6.519114668,10.76562038,22.36873043,0.485355474,1.373026523,3.961064958,1.155158396,0.682878235,0.683048037,0.199196096,0.406075155,0.356406884,0.24648775,5.799101588,8.069415015,16.99313348,0.524572056,1.008969789,4.364402807,1.425236192,0.913078583,0.651139296,0.212635573,0.492669788,0.542927876,0.440760226,6.702717581,11.50670021,23.88904491,0.476708944,1.47635789,4.300435464,1.37262968,0.868564861,0.657395093,0.209829917,0.47833197,0.503496387,0.39883673,6.541630005,10.83033039,22.49901656,0.486092639,1.380665087 +UMLRON0188,L,n-Propylcyclohexane,CCCC1CCCCC1,15505,,"Sandia, UML",[1],C9H18,PubChem,,17.8,0,0.6234,0.38862756,37.4211,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,2106.57486,2142.986675,1207.898164,309.116304,27.433728,0,0,4371.159516,5876.91121,8897.306245,10422.02316,8466.260353,4087.991143,839.2610996,0,0,188.796996,195.98202,384.63672,550.646156,627.5092,512.267328,181.398528,0,0,33.10313229,45.14389758,72.20848416,89.89994645,82.16994867,47.39352737,12.00454843,0,0,4469.666941,3897.355064,8334.220529,12385.23601,14852.13539,13201.12671,4992.776605,0,0,42.08333333,51.05555556,84.36111111,120.6666667,132.5,91.5,27,0,0,48.76541633,56.15943233,39.01064556,27.47418814,13.42109071,4.12155072,1.016064,0,0,161.8947969,217.6633782,164.7649305,133.6156816,94.06955948,54.50654857,31.08374443,0,0,6.992481333,7.258593333,7.122902222,7.059566103,6.972324444,6.83023104,6.718464,0,0,1.226041937,1.671996207,1.337194151,1.152563416,0.91299943,0.631913698,0.444612905,0,0,165.54322,144.3464838,154.3374172,158.7850771,165.0237265,176.0150228,184.917652,0,0,1.558641975,1.890946502,1.562242798,1.547008547,1.472222222,1.22,1,0,0,0.03579306,-0.004785703,-0.001632442,-0.005905204,-0.025738089,0.004252174,0.015912733,0,0,726.396054,6.89E-13,6.36E-13,-282.4873543,-605.330045,161.4213453,363.198027,0,0,1350.764481,-6.39E-13,-7.89E-13,-525.297298,-1125.637067,300.1698846,675.3822403,0,0,0.142296,2.04E-15,2.05E-15,-0.055337333,-0.11858,0.031621333,0.071148,0,0,6.038545709,1.66E-14,1.71E-14,-2.348323331,-5.032121424,1.341899046,3.019272855,0,0,32.80147613,-2.00E-13,-1.96E-13,-12.75612961,-27.33456344,7.289216918,16.40073807,0,0,2.962962963,-1.305555556,0.101851852,0.764403292,-1.913580247,-0.248971193,1.12037037,0,0,0.001325669,-1.77E-04,-3.02E-05,-7.57E-05,-2.86E-04,5.67E-05,5.89E-04,0,0,26.90355756,2.55E-14,1.18E-14,-3.621632748,-6.725889389,2.152284604,13.45177878,0,0,50.0283141,-2.37E-14,-1.46E-14,-6.734580744,-12.50707852,4.002265128,25.01415705,0,0,0.005270222,7.56E-17,3.79E-17,-7.09E-04,-0.001317556,4.22E-04,0.002635111,0,0,0.223649841,6.15E-16,3.17E-16,-0.030106709,-0.05591246,0.017891987,0.111824921,0,0,1.214869486,-7.40E-15,-3.63E-15,-0.163540123,-0.303717372,0.097189559,0.607434743,0,0,0.109739369,-0.048353909,0.001886145,0.009800042,-0.021262003,-0.003319616,0.041495199,0,0,-0.133704761,-0.022803889,-0.05710909,-0.215724126,0.042767582,0.444575933,0,0,9.49E-16,4.38E-16,-0.134615385,-0.25,0.08,0.5,0,0,-4.73E-16,-2.92E-16,-0.134615385,-0.25,0.08,0.5,0,0,1.43E-14,7.19E-15,-0.134615385,-0.25,0.08,0.5,0,0,2.75E-15,1.42E-15,-0.134615385,-0.25,0.08,0.5,0,0,-6.09E-15,-2.99E-15,-0.134615385,-0.25,0.08,0.5,0,0,-0.440625,0.0171875,0.089302885,-0.19375,-0.03025,0.378125,0,0,1.580094217,1.092623022,1.123730329,1.228780328,0.680255318,0.002795143,0,0,1.444444444,1.203703704,1.222222222,1.17962963,0.606666667,0,0,0,1.444444444,1.203703704,1.222222222,1.17962963,0.606666667,0,0,0,1.444444444,1.203703704,1.222222222,1.17962963,0.606666667,0,0,0,1.444444444,1.203703704,1.222222222,1.17962963,0.606666667,0,0,0,1.444444444,1.203703704,1.222222222,1.17962963,0.606666667,0,0,0,1.986111111,0.794444444,0.8953125,1.356875,0.833625,0,0,0,37.29808014,18.64904007,25.47746719,37.29808014,4.144231127,18.6490401,0,1.11E-16,1.23E-17,-33.06312051,5000010.414,555556.7126,13.8824555,37.29808014,18.64904007,25.47746719,37.29808014,4.144231127,18.6490401,0,1.11E-16,1.23E-17,-33.06312051,5000010.414,555556.7126,13.8824555,37.29808014,18.64904007,25.47746719,37.29808014,4.144231127,18.6490401,0,1.11E-16,1.23E-17,-33.06312051,5000010.414,555556.7126,13.8824555,37.29808014,18.64904007,25.47746719,37.29808014,4.144231127,18.6490401,0,1.11E-16,1.23E-17,-33.06312051,5000010.414,555556.7126,13.8824555,37.29808014,18.64904007,25.47746719,37.29808014,4.144231127,18.6490401,0,1.11E-16,1.23E-17,-33.06312051,5000010.414,555556.7126,13.8824555,37.29808014,18.64904007,25.47746719,37.29808014,4.144231127,18.6490401,0,1.11E-16,1.23E-17,-33.06312051,5000010.414,555556.7126,13.8824555,45.92950423,22.75802445,31.78630436,45.78289929,5.08698881,22.75802445,-0.263888889,0.004638837,5.15E-04,-4.835962372,54.91354592,6.101505102,3.60518405,0,11.89,12.11013444,-0.160702126,0.060689868,6.3109375,9.073406015,9,27,27,27,9,0,0,0,0,0,19.677726,3.697876488,3.042364541,2.96306642,2.560937789,2.17548746,1.856050953,1.281558061,1.099508061,2.02701222,1.585950347,1.533536696,1.357829012,1.066605404,0.846202261,0.565874974,0.413035098,3.719501515,3.078435564,3.001583803,2.620584956,2.243749091,1.934711109,1.389893753,1.209688389,1.977518183,1.506815679,1.451642361,1.253683762,0.952794097,0.723533078,0.416145532,0.259521562,3.815397651,3.239284907,3.172090024,2.873959757,2.531187307,2.260401738,1.827561338,1.656579633,1.834723275,1.271648566,1.206159919,0.922499658,0.585704835,0.321192013,0.092935908,0.262056834,3.735471952,3.105160529,3.030053775,2.66411292,2.293440723,1.991656529,1.467762475,1.289020676,1.946259971,1.45612622,1.399013035,1.18521397,0.877571657,0.64197557,0.31524636,0.156092313,3.862661906,3.318282267,3.255121567,2.991087481,2.662420938,2.406242646,2.017120106,1.850629028,1.790961792,1.19828528,1.128818232,0.811320193,0.460560939,0.18119733,0.277081339,0.450448455,3.711227547,3.185821029,3.087858048,2.856869201,2.399668944,2.10266796,1.581134143,1.390915633,1.957768985,1.364912791,1.321309731,0.982772417,0.736786313,0.501146309,0.165186161,0.012637536,0,0,0,0,0,3,3,3,0,0,0,0,0.068041382,0.204124145,0,0,0,0.068041382,0.204124145,0.663854611,0,0.272165527,0,0.663854611,0,0.272165527,0,1.733969088,1.979392051,2.190389772,1.733969088,1.979392051,2.190389772,6.853371151,4.215214055,3.744588185,3.114068787,1.848425766,1.072102901,0.526099421,0.136082763,0.761485683,0.468357117,0.312049015,0.222433485,0.142186597,0.089341908,0.07515706,0.068041382,6.853371151,4.215214055,3.744588185,3.114068787,1.848425766,1.072102901,0.526099421,0.136082763,0.761485683,0.468357117,0.312049015,0.222433485,0.142186597,0.089341908,0.07515706,0.068041382,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.0786,41.343,36.67290345,48.67889424,73.3458069,8.1495341,36.67290345,0.016616204,0.001846245,-3.687639223,421.5163183,46.83514647,5.439472642,63,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,7.175740741,0,4.392546296,0,0,0,2.931712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.389212963,0,1.463796296,0,0,0,0.971064815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.397314815,0,1.464953704,0,0,0,0.980324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.5,1.611111111,0.2,2.397314815,0.2,0.971064815,6.463105324,0.362268519,0.397314815,2.351481481,0.362268519,0.397314815,2.351481481,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.33333,0.33333,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,10.4931,1.1659,10.4931,0,0,4.21519,0.46835,4.21519,0,0,0.19881,0.02209,0.28481,0.03165,0.222222222,9,0,0,0,0,0,0,1,0.918295834,1.446616668,2.623447687,2.809356946,2.953806373,3.263603706,24.79398752,39.05865003,70.83308754,75.85263755,79.75277208,88.11730005,0.193126721,0.304237833,0.551737067,0.590835629,0.621214776,0.686368227,3.836591668,3.308270835,2.131439816,1.945530556,1.801081129,1.491283797,0.193126721,0.304237833,0.551737067,0.590835629,0.621214776,0.686368227,6.73287657,13.07272657,16.50189266,15.36811428,17.95639958,17.4543859,35.54887502,26.03910002,23.8332514,25.20323242,21.39827215,21.27841992,7.111111111,2.722222222,1.469387755,0,0,0,2.45,1.2681,0.908560296,2.9826782,5.181129588,0,2.381101578,4.585756412,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.124,0.16,0.203,3.937,12,14,13,12,7,2,0,0,0,78,2.302585093,2.564949357,2.708050201,2.63905733,2.564949357,2.079441542,1.098612289,0,0,0,4.369447852,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,4,0.333333333,2,1.555555556,0.6875,0.333333333,0,0,0,0,0,0,0.222222222,0.12962963,0.0625,0.083333333,0,0,0,0,0,0,0.497685185,18.64904007,25.47746719,37.29808014,4.144231127,18.6490401,1.11E-16,1.23E-17,-33.06312051,5000010.414,555556.7126,13.8824555,0,151.8638616,4.169925001,3.761200116,4.553876892,5.370638028,6.180016654,7.00033446,7.812378206,8.633552993,9.446123704,10.26747073,81.02559178,2.944438979,0,4.204692619,0,5.686975356,0,7.263329617,0,8.876125585,9.101863896,126.1408506,4.671883355,17.38253322,1.931392579,0,0,0,82,11,4.938,42,1.22699952,2.101574372,2.829134171,3.489015791,4.182366806,4.990189157,0,0,0,0,78.95148878,90.39595266,84.68684673,51.34709942,18.273102,5.070351555,0,0,0,0,290.5400635,369.4562014,398.4279289,345.6244691,235.7747565,155.1137644,0,0,0,0,8.938429587,15.01849659,20.02088178,24.38417297,28.60379096,33.5264062,0,0,0,0,2.17886504,2.949206807,3.386968657,3.305474745,2.705334676,2.218702497,0,0,0,0,175.1121323,320.8640076,445.7102302,571.3588944,733.1915509,922.774062,0,0,0,0,2.36587207,3.36488319,4.464432923,5.251997956,5.192293525,4.990189157,0,0,0,0,0.45089223,0.618025924,0.71780374,0.714152078,0.602256532,0.51099537,0,0,0,0,323.8667867,148.2754454,8.138318502,75.85414732,-34.72819055,-4.069882705,248.0126393,183.003636,12.20820121,0.810232237,0.370947411,0.020360001,0.189767763,-0.08688109,-0.01018181,129.4563344,59.26879953,3.253056272,30.32049061,-13.88158476,-1.626817316,0.065776143,0.135597261,0.443806416,1.023444237,399.720934,0,1,0,620.8036052,24.91593075,8.530701456,795.1702547,28.19876335,9.264458536,1133.79351,33.6718504,10.42744695,1.450520005,1.450520005,421.7098996,306.0697877,222.9500813,1.377822694,1.891499196,1.372817565,3.907200247,3.780722771,6.119384403,0.618575276,5.678878715,8.68425211,12.30426776,11.55345349,18.3426175,14.83005439,13.99922528,16.49822534,7.962073668,1.768214023,2.06321176,5.11E-07,2.09E-34,1.66E-83,2.53E-154,7.43E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.42656608,6.534793822,0.946325225,5.36024302,0.98913844,2.867756483,2.041784938,0.643922674,0.229323504,0.051376619,0.014531369,3.60E-09,1.48E-36,1.17E-85,1.78E-156,5.23E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.408961682,6.678425485,3.045945834,6.064238206,3.48373445,4.883519075,3.278877364,2.319308974,1.029470438,0.229777474,0.15142807,3.75E-08,1.54E-35,1.22E-84,1.85E-155,5.45E-248,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.325598276,8.44826063,11.53154639,10.9761396,16.90963703,13.9470273,12.84137863,14.97547169,7.21335331,1.602247615,1.838284533,4.55E-07,1.87E-34,1.48E-83,2.25E-154,6.62E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.109983225,6.86465094,4.55222916,6.713835228,5.507256181,6.393764358,4.485498874,3.932847392,1.80983136,0.403326977,0.328922003,8.15E-08,3.34E-35,2.64E-84,4.03E-155,1.18E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.022952853,9.676564316,15.25318485,13.91599409,24.06910228,18.27061907,18.76969772,22.76323813,11.04686121,2.45181813,3.009000447,7.45E-07,3.06E-34,2.42E-83,3.68E-154,1.08E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.584856603,6.679616726,7.238461303,8.094417918,8.991431147,9.788258046,7.774891328,7.990051604,3.854676807,0.876262384,0.794863983,1.97E-07,8.07E-35,6.38E-84,9.73E-155,2.86E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.780736921,1.922002885,0.928988273,0.493762639,0.341281194,0.480369063,0.47976492,0.469054549,5.631728078,9.713374514,20.31015881,0.252565751,1.429188531,2.001336157,1.347470705,0.425532263,0.530248102,0.357008382,0.249827813,0.235891513,0.098661632,3.774339126,4.121767207,9.043656994,0.330884726,0.584380958,2.310601194,1.575472373,0.625960162,0.5120975,0.349171231,0.332343195,0.322376364,0.213500401,4.512033729,6.072815586,12.8635248,0.291903097,0.86821996,2.761414592,1.907761446,0.916568323,0.494368237,0.341541131,0.473747227,0.472678484,0.456666092,5.585744361,9.547739147,19.96207569,0.253864052,1.403091804,2.448583519,1.677183041,0.715088016,0.505816376,0.346464248,0.372959337,0.365322188,0.278498232,4.840854577,7.057008979,14.83453178,0.278420936,1.016779757,2.84123734,1.966594292,0.967859188,0.491930304,0.340495077,0.501401479,0.502296612,0.508874098,5.77569082,10.24086515,21.42452836,0.248638072,1.512572189,2.773929699,1.911218124,0.91950959,0.494932963,0.341005343,0.477987627,0.47440831,0.45945969,5.604657412,9.609623067,20.08913847,0.253907459,1.411855627 +UMLRON0189,L,"1,2,3-trimethylcyclohexane",CC1CCCC(C1C)C,15507,(cis)(trans)(cis) reported; [9] has RON of 84.8,UML,[1],C9H18,PubChem,,83.4,0,-0.0236,5.57E-04,39.5744,30.93586,0,0,30,10,20,0,10,0,0,0,0,0,0,0,0,0,1462.96249,1684.78297,2179.217388,1909.999233,1460.185951,1112.983037,599.505314,147.488544,12.192768,4856.843906,6529.901345,9585.725944,10251.52203,8305.113874,6430.027844,4480.655802,1955.543519,373.0049332,209.77444,217.7578,427.342512,611.0649,623.588668,439.348532,393.777416,245.856384,80.621568,36.7812581,50.1598862,78.88975002,91.88861403,78.49990747,59.79999064,45.41693209,22.69537863,5.335354858,4966.296601,4330.394515,9252.955815,14038.56106,15186.48717,10405.34247,9692.772174,6339.08443,2219.011824,45.05555556,55,93.94444444,126.3333333,116.75,90.33333333,76.16666667,43,12,48.76541633,56.15943233,36.3202898,21.95401417,16.22428834,17.66639741,10.51763709,4.096904,1.016064,161.8947969,217.6633782,159.7620991,117.8335866,92.27904304,102.063934,78.60799652,54.3206533,31.08374443,6.992481333,7.258593333,7.1223752,7.023734483,6.928762978,6.973786222,6.908375719,6.829344,6.718464,1.226041937,1.671996207,1.314829167,1.056190966,0.872221194,0.949206201,0.796788282,0.630427184,0.444612905,165.54322,144.3464838,154.2159303,161.3627708,168.7387463,165.1641662,170.0486346,176.0856786,184.917652,1.501851852,1.833333333,1.565740741,1.45210728,1.297222222,1.433862434,1.33625731,1.194444444,1,0.040588375,-0.002758479,-0.008128073,-0.020516777,0.010700369,-0.00476808,-0.00444729,0.002288616,0.007335526,807.1067267,-5.90E-13,-161.4213453,-403.5533633,161.4213453,-161.4213453,-80.71067267,80.71067267,161.4213453,1500.849423,5.26E-13,-300.1698846,-750.4247115,300.1698846,-300.1698846,-150.0849423,150.0849423,300.1698846,0.158106667,3.66E-15,-0.031621333,-0.079053333,0.031621333,-0.031621333,-0.015810667,0.015810667,0.031621333,6.709495232,1.85E-14,-1.341899046,-3.354747616,1.341899046,-1.341899046,-0.670949523,0.670949523,1.341899046,36.44608459,-3.02E-13,-7.289216918,-18.22304229,7.289216918,-7.289216918,-3.644608459,3.644608459,7.289216918,2.651851852,-0.877777778,0.418518519,-1.74962963,1.22962963,-0.339259259,-0.397777778,-0.037777778,0.428148148,0.001352946,-9.19E-05,-1.35E-04,-2.36E-04,1.19E-04,-7.57E-05,-7.80E-05,6.36E-05,6.11E-04,26.90355756,-1.97E-14,-2.690355756,-4.638544406,1.793570504,-2.562243577,-1.415976713,2.24196313,13.45177878,50.0283141,1.75E-14,-5.00283141,-8.625571396,3.33522094,-4.764601343,-2.633069163,4.169026175,25.01415705,0.005270222,1.22E-16,-5.27E-04,-9.09E-04,3.51E-04,-5.02E-04,-2.77E-04,4.39E-04,0.002635111,0.223649841,6.16E-16,-0.022364984,-0.038560317,0.014909989,-0.021299985,-0.011771044,0.018637487,0.111824921,1.214869486,-1.01E-14,-0.121486949,-0.209460256,0.080991299,-0.115701856,-0.063940499,0.101239124,0.607434743,0.088395062,-0.029259259,0.006975309,-0.020110685,0.013662551,-0.005385068,-0.006978558,-0.001049383,0.035679012,-0.067962297,-0.100128089,-0.174304852,0.087877128,-0.055940014,-0.0576687,0.046988329,0.45182432,-7.31E-16,-0.1,-0.172413793,0.066666667,-0.095238095,-0.052631579,0.083333333,0.5,3.50E-16,-0.1,-0.172413793,0.066666667,-0.095238095,-0.052631579,0.083333333,0.5,2.32E-14,-0.1,-0.172413793,0.066666667,-0.095238095,-0.052631579,0.083333333,0.5,2.76E-15,-0.1,-0.172413793,0.066666667,-0.095238095,-0.052631579,0.083333333,0.5,-8.29E-15,-0.1,-0.172413793,0.066666667,-0.095238095,-0.052631579,0.083333333,0.5,-0.331005587,0.078910615,-0.22750915,0.154562384,-0.060920458,-0.078947368,-0.011871508,0.403631285,1.518821348,1.233988025,1.200474284,0.743695822,1.058325578,0.939293115,0.660080369,0.003756588,1.45,1.305,1.2,0.7975,1.035714286,0.877631579,0.604166667,0,1.45,1.305,1.2,0.7975,1.035714286,0.877631579,0.604166667,0,1.45,1.305,1.2,0.7975,1.035714286,0.877631579,0.604166667,0,1.45,1.305,1.2,0.7975,1.035714286,0.877631579,0.604166667,0,1.45,1.305,1.2,0.7975,1.035714286,0.877631579,0.604166667,0,1.863128492,0.830307263,1.234287709,0.555225791,1.212672918,1.148467363,0.835370112,0,51.8988932,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,7.11E-15,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,51.8988932,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,7.11E-15,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,51.8988932,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,7.11E-15,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,51.8988932,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,7.11E-15,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,51.8988932,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,7.11E-15,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,51.8988932,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,7.11E-15,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,59.69870416,29.66198703,45.81528041,59.58870416,5.958870416,29.66198703,-0.183333333,0.066500997,0.0066501,-2.710538343,60.83940178,6.083940178,4.108237635,0,11.9,12.10017173,-0.151266897,0.04892171,5.93309375,9.068756202,10,30,30,30,10,0,0,0,0,0,21.86414,3.660460899,3.330559519,2.802277589,2.750129472,2.333552793,2.094353543,1.456797487,1.302227715,2.013442652,1.79256771,1.389922102,1.372874417,1.249629723,0.997409362,0.666206401,0.569627639,3.684130997,3.361717169,2.841850323,2.792995694,2.405454588,2.162029137,1.556142907,1.4062584,1.961326233,1.725391477,1.305781531,1.285229005,1.134540686,0.880575204,0.522081792,0.419449524,3.788278242,3.499053291,3.017583092,2.981537655,2.704236987,2.450551859,1.9628467,1.833550288,1.809103572,1.526481133,1.052745422,1.018928274,0.76031856,0.50579849,0.037619229,0.08788596,3.701568673,3.384698009,2.87114064,2.824624264,2.457539916,2.211521071,1.62787375,1.481512297,1.928246408,1.682474266,1.251620566,1.228596505,1.058262671,0.803476996,0.425347018,0.318442673,3.839114087,3.565942255,3.103274513,3.072480534,2.838982085,2.583759321,2.141548494,2.021227804,1.761867751,1.464234114,0.97293315,0.933903671,0.631337262,0.379198996,0.135164289,0.269476325,3.694572112,3.463751956,2.913339233,2.858333323,2.718655497,2.309914479,1.752482097,1.607383471,1.91768765,1.592286975,1.170126214,1.156737416,0.80376188,0.665277346,0.262588642,0.150743689,0,0,0,0,0,2,6,2,0,0,0,0,0.102062073,0.072168784,0,0,0,0.102062073,0.072168784,0.612372436,0,0,0,0.612372436,0,0,0,0.642228525,1.041888478,1.093412989,0.642228525,1.041888478,1.093412989,7.397341225,4.7876937,4.133584955,2.529482726,2.089508593,1.454567768,0.595522031,0.319035594,0.739734123,0.47876937,0.344465413,0.210790227,0.149250614,0.103897698,0.074440254,0.053172599,7.397341225,4.7876937,4.133584955,2.529482726,2.089508593,1.454567768,0.595522031,0.319035594,0.739734123,0.47876937,0.344465413,0.210790227,0.149250614,0.103897698,0.074440254,0.053172599,15.41827804,28.87836854,27.25490196,27.6,17.98554491,230.2825509,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.6128,46.03,42.8834899,62.95133481,85.7669798,8.57669798,42.8834899,0.20866802,0.020866802,-1.567010712,39.432933,3.9432933,3.67460133,92,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,2,0,6,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,4.683741497,0,8.985841837,0,0,0,1.997083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.341870748,0,1.472222222,0,0,0,0.919537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.341870748,0,1.512083333,0,0,0,1.077546296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.66666667,1.566666667,0.2,2.341870748,0.2,0.919537037,7.203312509,0.413796296,0.341870748,1.415816327,0.413796296,0.341870748,1.415816327,5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.2,0.2,0,5,0.5,5,0.5,0,0,-5,-0.5,0,0,11.44878,1.14488,11.44878,0,0,4.78768,0.47877,4.78768,0,0,0.12632,0.01263,0.21232,0.02123,0.2,10,0,0,0,0,0,0,1,0.918295834,1.375279366,2.597416845,3.339572262,3.456564762,3.111080496,27.54887502,41.25838097,77.92250535,100.1871679,103.6969429,93.33241489,0.187144143,0.280275123,0.529340688,0.680588286,0.704430778,0.634022796,3.988594762,3.53161123,2.309473751,1.567318334,1.450325833,1.795810099,0.187144143,0.280275123,0.529340688,0.680588286,0.704430778,0.634022796,6.73287657,12.21667895,17.3890332,19.14640285,18.53149916,15.39509482,39.49875002,30.76840725,24.8271172,21.27306377,21.72076669,27.72527279,8.1,4,3.111111111,4,0,3,2.56,1.409,0.5,2.921736458,2.309401077,0,7.732315986,5.638173476,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,4.664,12,12,14,14,8,6,4,0,0,90,2.397895273,2.564949357,2.564949357,2.708050201,2.708050201,2.197224577,1.945910149,1.609437912,0,0,4.510859507,1,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,1,3,6,1,2,0.444444444,0.4375,0.311111111,0.118055556,0.08,0,0,0,0,0.2,0.037037037,0.048611111,0.044444444,0.023611111,0.04,0,0,0,0,0.393703704,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,0,169.1598463,4.321928095,3.80666249,4.532599493,5.323009979,6.070737728,6.865891075,7.621195163,8.416046009,9.174609562,9.968479096,81.7792306,3.044522438,0,4.234106505,0,5.609471795,0,7.067319849,0,8.564267599,8.822174761,140.1565006,4.671883355,19.53512296,1.953512296,0,0,0,126,9,5.568,44,1.229266235,2.107949862,2.836567011,3.509560408,4.101997194,4.497500184,5.282428901,6.209243728,0,0,79.27849437,85.32486944,66.68306315,60.17714082,77.04621513,52.70100838,22.93548389,6.308989019,0,0,291.5000555,360.5345813,350.2678628,334.2347125,429.2580775,376.1379065,296.70394,193.0065451,0,0,8.955521785,15.06236452,19.97345183,24.34498614,28.62043588,31.15059419,36.12209109,41.71658045,0,0,2.185186681,2.912779309,3.104221119,3.127885327,3.950716657,3.743363223,3.408224371,2.760709891,0,0,175.3995389,321.6485948,453.9052473,590.1127425,676.6450306,758.6013821,926.4508582,1148.198771,0,0,2.302214539,3.391086202,4.195712342,4.604160382,5.905924741,6.156833605,6.403715198,6.209243728,0,0,0.452167257,0.611540702,0.662535765,0.675323304,0.849581635,0.815155032,0.758879318,0.635826558,0,0,354.5279456,183.2818416,9.075108401,78.7159746,-40.694137,-4.263401955,275.811971,223.9759786,13.33851036,0.818310261,0.423045386,0.02094688,0.181689739,-0.093928928,-0.00984065,153.5970769,79.40574354,3.931735539,34.10321742,-17.63048744,-1.847092976,0.057809681,0.120984934,1.009027282,1.118615024,433.2439202,0,1,0,682.8851744,26.13207176,8.806078679,876.625896,29.60786882,9.57057649,1253.092402,35.39904522,10.78104931,1.491002138,1.37822061,633.8500102,540.728492,203.2997708,1.172214928,3.117809763,2.659759477,4.295335088,4.301363014,7.285317454,0.693722996,5.578859018,8.490678795,9.919367078,21.16308877,19.50653399,13.63114408,16.91631927,17.26816073,9.707031137,5.494703377,3.070213991,2.88266023,2.305835466,0.009974445,6.57E-23,8.35E-65,2.05E-128,9.69E-214,8.844E-321,0,0,0,0,0,0,0,0,0,0,0,0.468745376,7.518183444,0.739260427,7.971276802,1.569988287,1.954738535,2.813179779,3.311876409,0.553728454,0.26917398,0.592585766,0.14646813,0.01624147,7.03E-05,4.63E-25,5.88E-67,1.44E-130,6.83E-216,6.4E-323,0,0,0,0,0,0,0,0,0,0,0,1.511797431,7.653448659,2.423408854,9.473332227,4.253106752,3.764122233,4.248339859,5.492630383,1.659109106,0.995075144,0.958417938,0.535714055,0.169238572,7.32E-04,4.82E-24,6.13E-66,1.50E-129,7.11E-215,6.47E-322,0,0,0,0,0,0,0,0,0,0,0,5.266010526,8.408770466,9.290255455,19.93427425,18.06244757,12.71325378,15.54224037,16.17744324,8.876747118,5.054257407,2.869041764,2.655270669,2.05445877,0.008887051,5.85E-23,7.44E-65,1.83E-128,8.64E-214,7.88E-321,0,0,0,0,0,0,0,0,0,0,0,2.227829196,7.765081794,3.635851903,10.85798213,6.385405432,5.176645721,5.662164418,7.187998941,2.644469823,1.59455653,1.251090819,0.853178714,0.367605637,0.001590149,1.05E-23,1.33E-65,3.27E-129,1.55E-214,1.41E-321,0,0,0,0,0,0,0,0,0,0,0,6.737208653,8.819351173,12.32488497,26.19110093,25.24622022,17.26024846,22.58377054,21.57492457,13.08767915,7.262343857,3.871260466,3.79257276,3.362840138,0.014546791,9.58E-23,1.22E-64,2.99E-128,1.41E-213,1.29E-320,0,0,0,0,0,0,0,0,0,0,0,3.712569968,7.522638442,5.653454945,14.81021058,10.5438489,8.198614849,9.378558937,10.95064352,5.07787264,2.890305684,2.087400758,1.66563032,0.939459905,0.00406383,2.68E-23,3.40E-65,8.35E-129,3.95E-214,3.6E-321,0,0,0,0,0,0,0,0,0,0,0,4.193884029,1.656879166,0.851993211,0.625695427,0.247193701,0.502107431,0.567156397,0.411651697,6.702756406,11.93356959,24.55662155,0.43854314,1.480915525,3.475734192,1.059008672,0.393301218,0.705296895,0.214894318,0.345150774,0.231902758,0.087515204,4.928044083,5.464352546,11.8400726,0.557945343,0.664568736,3.760938225,1.296397909,0.575566078,0.667673267,0.23014742,0.403979462,0.347383985,0.187651671,5.632902213,7.786503577,16.22567746,0.501509901,0.939015119,4.176102553,1.642071689,0.840645288,0.627153587,0.24660102,0.497867723,0.557074583,0.400745266,6.658819529,11.74848053,24.1719913,0.44073038,1.455687572,3.888074918,1.402242276,0.656769298,0.653778102,0.235786427,0.431691801,0.406361177,0.244436342,5.947086492,8.926540933,18.45434876,0.480667153,1.082489319,4.249553727,1.703238969,0.887518341,0.621251534,0.249000222,0.515497014,0.599304734,0.446741315,6.840311037,12.5212182,25.78539188,0.431877302,1.561543063,4.189261793,1.646313146,0.842493078,0.627316431,0.246525364,0.501012004,0.560049651,0.402563967,6.678068016,11.81326825,24.30187349,0.440974646,1.463625622 +UMLRON0190,L,iso-butylcyclohexane,CC(C)CC1CCCCC1,15508,[8/32] has RON of 63.8 (!!!),UML,[1],C10H20,UML,,33.7,0,-2.2014,4.84616196,35.0902,32.269446,0,0,32,10,22,0,10,0,0,0,0,0,0,0,0,0,1464.994618,1564.733025,1628.407208,1462.132399,1265.37567,1068.618941,871.862212,675.105483,478.348754,4919.011395,6335.857676,8183.299058,8109.013046,7102.214701,6095.416356,5088.618011,4081.819666,3075.021321,223.211368,224.452548,424.85264,563.52166,500.63676,437.75186,374.86696,311.98206,249.09716,37.67048391,49.59807482,70.85046445,75.16732273,66.14579387,57.12426502,48.10273616,39.0812073,30.05967844,5336.131905,4509.845254,9421.85879,13490.4332,12011.47804,10532.52289,9053.567731,7574.612576,6095.657421,48,57.75,92.5,110.25,98,85.75,73.5,61.25,49,45.78108181,50.47525887,27.14012013,18.05101727,17.57466208,16.96220541,16.14559652,15.00234407,13.28746539,153.7191061,204.3825057,136.3883176,100.1112722,98.64187085,96.75264057,94.23366687,90.70710369,85.41725893,6.97535525,7.240404774,7.080877333,6.957057531,6.953288333,6.948442222,6.941980741,6.932934667,6.919365556,1.177202622,1.599937897,1.180841074,0.927991639,0.918691582,0.906734365,0.89079141,0.868471273,0.834991068,166.754122,145.4788792,157.0309798,166.548558,166.8260839,167.1829029,167.6586617,168.3247239,169.3238172,1.5,1.862903226,1.541666667,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,0.045709501,-0.004413885,-0.021126449,-9.91E-05,-2.81E-06,7.19E-08,1.51E-06,1.32E-05,4.11E-05,832.3288119,-57.22260582,-365.0896834,-10.87702425,-11.34993834,-11.82285244,-12.29576654,-12.76868064,-13.24159473,1547.750967,-106.407879,-678.8998562,-20.22629105,-21.10569501,-21.98509897,-22.86450293,-23.74390689,-24.62331084,0.1630475,-0.011209516,-0.071518562,-0.002130734,-0.002223375,-0.002316016,-0.002408656,-0.002501297,-0.002593938,6.919166958,-0.475692728,-3.034998234,-0.090420932,-0.094352277,-0.098283622,-0.102214966,-0.106146311,-0.110077656,37.58502473,-2.58397045,-16.48615858,-0.491167937,-0.512523065,-0.533878192,-0.55523332,-0.576588448,-0.597943575,2.875,-0.66015625,-1.015625,0.03515625,0.03125,0.02734375,0.0234375,0.01953125,0.015625,0.001428422,-1.42E-04,-3.52E-04,-1.22E-06,-3.91E-08,1.14E-09,2.80E-08,2.94E-07,1.14E-06,26.01027537,-1.84589051,-6.084828057,-0.13428425,-0.157638033,-0.187664324,-0.22769938,-0.283748459,-0.367822076,48.36721773,-3.432512226,-11.3149976,-0.249707297,-0.293134653,-0.348969825,-0.423416721,-0.527642375,-0.683980857,0.005095234,-3.62E-04,-0.001191976,-2.63E-05,-3.09E-05,-3.68E-05,-4.46E-05,-5.56E-05,-7.21E-05,0.216223967,-0.015344927,-0.050583304,-0.001116308,-0.001310448,-0.001560057,-0.00189287,-0.002358807,-0.003057713,1.174532023,-0.083353885,-0.27476931,-0.006063802,-0.007118376,-0.008474257,-0.010282099,-0.012813077,-0.016609544,0.08984375,-0.021295363,-0.016927083,4.34E-04,4.34E-04,4.34E-04,4.34E-04,4.34E-04,4.34E-04,-0.099678795,-0.246501033,-8.57E-04,-2.74E-05,7.99E-07,1.96E-05,2.06E-04,8.00E-04,-0.070967742,-0.233939394,-0.005162738,-0.006060606,-0.007215007,-0.008754209,-0.010909091,-0.014141414,-0.070967742,-0.233939394,-0.005162738,-0.006060606,-0.007215007,-0.008754209,-0.010909091,-0.014141414,-0.070967742,-0.233939394,-0.005162738,-0.006060606,-0.007215007,-0.008754209,-0.010909091,-0.014141414,-0.070967742,-0.233939394,-0.005162738,-0.006060606,-0.007215007,-0.008754209,-0.010909091,-0.014141414,-0.070967742,-0.233939394,-0.005162738,-0.006060606,-0.007215007,-0.008754209,-0.010909091,-0.014141414,-0.237026648,-0.188405797,0.004830918,0.004830918,0.004830918,0.004830918,0.004830918,0.004830918,1.628984413,1.403214125,0.924977432,0.921560946,0.918143875,0.913606549,0.907099062,0.896992195,1.6,1.427878788,0.946352413,0.939393939,0.93044733,0.918518519,0.901818182,0.876767677,1.6,1.427878788,0.946352413,0.939393939,0.93044733,0.918518519,0.901818182,0.876767677,1.6,1.427878788,0.946352413,0.939393939,0.93044733,0.918518519,0.901818182,0.876767677,1.6,1.427878788,0.946352413,0.939393939,0.93044733,0.918518519,0.901818182,0.876767677,1.6,1.427878788,0.946352413,0.939393939,0.93044733,0.918518519,0.901818182,0.876767677,1.826086957,1.168115942,0.798711755,0.823671498,0.855762595,0.898550725,0.958454106,1.048309179,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,75.83469465,37.85068066,60.84580395,75.72802798,7.572802798,37.85068066,-0.133333333,1.67E-16,1.67E-17,-36.33133546,48.66635119,4.866635119,3.884987851,0,11.89,12.11015511,-0.170505165,0.049865171,5.112413351,7.407268787,9,31,31,31,9,0,0,0,0,0,24.050554,3.512805123,3.337201265,3.062823148,2.716438049,2.333784739,1.956334141,1.624183802,1.365317391,1.932483317,1.815532584,1.632737175,1.405372919,1.164335932,0.942762779,0.763930039,0.634799578,3.541651349,3.370182286,3.102652658,2.765819865,2.395430027,2.032725436,1.716720514,1.473124754,1.872049897,1.747200105,1.552915661,1.311754829,1.055524963,0.818635077,0.626272471,0.486878003,3.667491355,3.514173242,3.276143496,2.979400328,2.658834882,2.35356873,2.097021803,1.906139155,1.692420704,1.542675643,1.31032137,1.021062963,0.709480343,0.414138296,0.167326491,0.015415667,3.562848207,3.394431523,3.131931389,2.80206165,2.440523319,2.088317692,1.783588016,1.550406129,1.833409087,1.703366429,1.501368098,1.250760393,0.983965445,0.73625379,0.534158895,0.387266279,3.728198738,3.583545209,3.359192445,3.080350168,2.781097802,2.499169271,2.265278097,2.093146298,1.635759561,1.477872193,1.232516296,0.925996536,0.593542969,0.274941482,0.005070189,0.197167147,3.56934017,3.442789514,3.216871357,2.905546292,2.548605827,2.198203331,1.90041371,1.678949589,1.806934966,1.642036503,1.400603284,1.122039913,0.842915067,0.590043505,0.381370055,0.225766441,0,0,0,0,0,2,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.656854249,4.914213562,3.121320344,1.957106781,1.207106781,0.728553391,0.426776695,0.239276695,0.765685425,0.546023729,0.390165043,0.279586683,0.201184464,0.145710678,0.106694174,0.079758898,7.656854249,4.914213562,3.121320344,1.957106781,1.207106781,0.728553391,0.426776695,0.239276695,0.765685425,0.546023729,0.390165043,0.279586683,0.201184464,0.145710678,0.106694174,0.079758898,15.96010584,30.76620539,28.98039216,29.36,18.7840994,246.5681114,0.498753308,0.961443918,0.905637255,0.9175,0.587003106,7.705253481,4.147,48.284,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,122,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,2,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,4.539767731,0,11.46023227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.269883866,0,1.36882716,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.269883866,0,1.466111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,1.6,0.2,2.269883866,0.2,1.36882716,7.485011613,0.13117284,0.269883866,1.079535462,0.13117284,0.269883866,1.079535462,5,0.5,0,0,0.425,0.7,0.425,0.425,0.7,0,0,0,0,0.71429,0,0,0.2,0,0,4.5,0.45,4.5,0.45,0,0,-4.5,-0.45,0,0,10.82617,1.08262,10.82617,0,0,4.91421,0.49142,4.91421,0,0,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,9,0,0,0,0,0,0,1,0.896038233,1.121640762,1.905639062,2.358458593,2.352217001,2.021782222,28.67322344,35.89250439,60.98044999,75.47067499,75.27094405,64.69703109,0.179207647,0.224328152,0.381127812,0.471691719,0.4704434,0.404356444,4.103961767,3.878359238,3.094360938,2.641541407,2.647782999,2.978217778,0.180864499,0.226402163,0.384651504,0.476052713,0.474792853,0.408094895,6.667318507,9.374548863,12.39410975,13.36908858,12.84418217,10.28173396,39.63994499,35.17609677,33.01842031,31.58458593,33.04547782,37.3049511,10,9,9.142857143,10,0,10,2.56,1.5176,0.111111111,4.250401119,0,0,11.24058363,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,4.764,8,7,6,5,4,3,2,1,0,55,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,4.025351691,1,0.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0.777777778,9,1,1,5,9,0.8,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0,0,0.055555556,0.027777778,0.017857143,0.013333333,0.011111111,0.010204082,0.010416667,0.012345679,0,0,0.158601348,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,0,181.516305,4.321928095,3.555348061,4.17438727,4.812184355,5.451038454,6.098074282,6.744059186,7.394493107,8.04334217,8.695004593,73.96793148,2.944438979,0,3.931825633,0,5.056245805,0,6.244166901,0,7.466799475,7.82284529,142.1721507,4.44287971,18.82909733,1.882909733,0,0,0,165,7,6.03,34,1.232032258,2.126816784,2.853478777,3.591182009,4.927171109,5.939369942,7.256069977,8.351068313,9.639996477,10.7432104,73.3510472,64.85722262,63.21784037,82.25633201,99.99898706,114.6708222,124.7862759,126.3910231,111.1472603,53.69799054,277.889902,310.8455964,315.7583328,419.33635,526.7493238,623.7543861,709.8426041,768.6351914,778.0286238,656.6194205,8.95613516,15.1083947,19.90650427,25.16007837,34.36215858,41.41828006,50.44784132,57.95480916,66.61187972,73.71761161,2.112699944,2.639415831,2.821462502,3.728246744,4.782526661,5.713564368,6.635830492,7.34492241,7.781398572,7.356887,177.010611,330.4530093,471.509208,584.8518716,814.4923176,981.697822,1210.798686,1401.089409,1638.630883,1863.963709,2.361072581,3.360669099,3.986003833,5.194605394,6.925482084,8.405321627,10.13863169,11.69622522,13.51290248,14.60058202,0.438284758,0.558867937,0.604275049,0.797031725,1.026662266,1.228052559,1.431495255,1.590015103,1.696931383,1.63087908,518.806276,289.9483775,12.87982094,185.6728382,-103.7680936,-11.19483188,333.1334378,393.7164711,24.07465282,0.736439542,0.411578387,0.018282758,0.263560458,-0.147297615,-0.015890935,365.4881858,204.2625762,9.073564845,130.8026366,-73.10245464,-7.88652525,0.047235381,0.116601667,0.717876105,7.744630494,704.4791142,0,1,0,558.7341223,23.63755745,8.236355148,771.8489161,27.78216903,9.17298675,886.8236151,29.77958386,9.60754476,3.5468948,3.5468948,1919.023544,1889.905618,62.49348786,1.01540708,30.70757626,30.24164089,5.191248624,6.901696073,12.51757278,0.813695162,6.135812176,8.536735897,3.299079542,35.84605019,15.41652225,0.143561376,5.950185579,9.031373116,21.58597966,1.271385627,2.190334646,21.20866241,4.670917491,16.95680387,2.706616095,0.752742321,4.229476654,4.699786721,5.486966136,4.287083639,2.590008367,0.829633961,0.282376383,2.450972911,1.56E-10,2.42E-42,7.26E-96,4.19E-171,4.67E-268,0,0.514936198,8.536277482,0.229480196,8.149216747,0.1120919,0.00124132,0.890646665,0.33794726,6.322296711,0.046024466,0.0194948,1.278356878,0.15123111,4.295801438,0.114384975,0.062463041,0.19262003,0.087008273,1.860278089,0.186279763,0.153140911,0.006395501,0.02369758,0.017262403,1.10E-12,1.71E-44,5.11E-98,2.95E-173,3.29E-270,0,1.662276818,8.53630898,0.772015801,10.14002909,1.140508706,0.010951644,1.923306853,1.367680506,8.324227981,0.188552494,0.167911555,4.394495877,0.646840448,6.389425923,0.443551105,0.192169477,0.719859502,0.483436004,2.600545409,0.715661476,0.526900461,0.06141166,0.076498884,0.179887545,1.15E-11,1.78E-43,5.33E-97,3.08E-172,3.43E-269,0,5.791706176,8.536685874,3.081432048,32.85472731,13.73826204,0.12800671,5.640409008,8.235689213,20.25755357,1.158306593,1.953183017,19.65173565,4.24318299,16.00809315,2.477181099,0.706523752,3.877356132,4.224543719,5.264936868,3.927188449,2.397079319,0.739251617,0.266540056,2.183772738,1.39E-10,2.16E-42,6.47E-96,3.74E-171,4.16E-268,0,2.449890184,8.536349034,1.169401236,12.59419135,2.468694907,0.023359993,2.632225263,2.295700789,10.02917513,0.318340494,0.357296923,6.816314306,1.113832501,7.972349123,0.728886639,0.284532692,1.169909738,0.917434176,3.108720773,1.170421923,0.820191012,0.132737801,0.112745489,0.390739785,2.49E-11,3.86E-43,1.16E-96,6.68E-172,7.45E-269,0,7.409881809,8.536946046,4.138685091,48.39279078,22.47209342,0.208921804,7.097188786,12.27659263,26.95189452,1.733284417,3.186773388,27.35568131,6.426123281,20.66657745,3.6364311,0.928365349,5.652425365,6.678366622,6.309047419,5.743201037,3.354007826,1.209678239,0.341011397,3.574513645,2.28E-10,3.54E-42,1.06E-95,6.12E-171,6.81E-268,0,3.922039033,8.058513549,1.86354965,18.64212039,6.031401034,0.056451695,3.790406127,4.224834171,13.54827596,0.590810862,0.862041917,11.771524,2.125201575,11.38913255,1.299436218,0.428009726,2.25564885,1.972804874,4.883516439,2.071174959,1.673837389,0.324741455,0.22060496,0.957411294,6.10E-11,9.47E-43,2.84E-96,1.64E-171,1.82E-268,0,14.5824455,0.781085363,0.517444134,0.918233641,0.049183716,0.557853601,0.624350483,0.624984453,15.880975,19.33990367,41.11463708,0.877350462,1.807188537,13.17544307,0.322100342,0.117303726,0.967726111,0.023658021,0.4555665,0.106092527,0.032119287,13.61484714,5.827126863,19.93978928,0.951589166,0.593778314,13.7511616,0.510061604,0.281066426,0.945598111,0.035074367,0.4961626,0.266252103,0.184399704,14.54228963,11.02229057,27.53596311,0.918397166,0.946814407,14.54926899,0.770276725,0.508012006,0.919236514,0.048666809,0.555321902,0.607205602,0.602407305,15.82755773,18.98947642,40.51030604,0.878854772,1.764934808,14.00045607,0.591383708,0.351963501,0.936873687,0.039573842,0.514281772,0.357964695,0.289159548,14.94380328,13.41543665,31.2733716,0.90531053,1.161406014,14.68579654,0.814752275,0.546826121,0.915152578,0.050771686,0.565777426,0.679272743,0.697976469,16.04737494,20.44139112,43.03169706,0.872728867,1.943026639,14.60199397,0.771824156,0.509611983,0.919322456,0.04859304,0.559344875,0.609608846,0.606207829,15.88343011,19.10485362,40.73169827,0.878983683,1.775161549 +UMLRON0191,L,n-decane,CCCCCCCCCC,15600,"Use UML numbers if they are comfortable with them, Sandia values from the Co-optima database are Blended predicted values","Sandia, UML",[1],C10H22,PubChem,,39.8,0,2.4075,5.79605625,48.6502,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2115.628885,2089.387452,1445.789695,781.021083,214.034688,21.337344,0,4670.34144,5841.481647,7996.552878,8627.150907,7353.404818,5021.19798,2457.460751,652.758633,0,169.463656,175.052008,300.446356,343.926768,382.5223,355.885356,248.251392,141.087744,0,34.11358067,43.47862034,61.85917094,68.87187532,63.83170571,47.76926737,26.70896706,9.336871002,0,3856.790689,3411.659229,6406.831556,7256.509721,8465.861487,8397.962549,6148.313804,3883.270693,0,48.58333333,59.27777778,86.77777778,101.7777778,101,82,52,21,0,60.70275442,67.17251842,50.37211631,43.52890525,26.77388324,15.31413888,5.945408,1.016064,0,194.59756,243.3950686,190.3941161,179.7323106,136.1741633,98.45486236,68.26279863,31.08374443,0,7.060985667,7.293833667,7.153484667,7.165141,7.083746296,6.978144235,6.895872,6.718464,0,1.421399194,1.811609181,1.472837403,1.434830736,1.182068624,0.936652301,0.741915752,0.444612905,0,160.6996121,142.1524679,152.5436085,151.1772859,156.7752127,164.6659323,170.7864946,184.917652,0,2.024305556,2.469907407,2.066137566,2.12037037,1.87037037,1.607843137,1.444444444,1,0,0.044189239,5.90E-05,0.002022996,-0.019896154,-0.020681512,0.002495478,-0.003178997,0.017084574,0,706.2183858,-1.07E-13,186.6434305,-211.8655158,-489.308453,-229.5209754,-50.44417042,441.3864911,0,1313.243245,1.85E-13,347.0714291,-393.9729735,-909.8899627,-426.8040546,-93.80308893,820.7770282,0,0.138343333,2.23E-15,0.036562167,-0.041503,-0.095852167,-0.044961583,-0.009881667,0.086464583,0,5.870808328,1.37E-14,1.551570772,-1.761242498,-4.067631485,-1.908012707,-0.419343452,3.669255205,0,31.89032402,-1.08E-13,8.428157061,-9.567097205,-22.09543878,-10.36435531,-2.277880287,19.93145251,0,4.572916667,-0.982638889,1.973090278,-1.138888889,-3.1015625,-0.51953125,-1.151041667,2.634114583,0,0.001841218,2.46E-06,4.82E-05,-4.15E-04,-3.83E-04,4.89E-05,-8.83E-05,8.14E-04,0,29.42576608,-4.44E-15,4.443891203,-4.413864911,-9.061267649,-4.500411282,-1.401226956,21.01840434,0,54.71846854,7.70E-15,8.263605454,-8.207770282,-16.84981412,-8.368706954,-2.605641359,39.08462039,0,0.005764306,9.31E-17,8.71E-04,-8.65E-04,-0.00177504,-8.82E-04,-2.74E-04,0.004117361,0,0.244617014,5.71E-16,0.036942161,-0.036692552,-0.075326509,-0.037412014,-0.011648429,0.174726438,0,1.328763501,-4.51E-15,0.200670406,-0.199314525,-0.409174792,-0.203222653,-0.063274452,0.949116786,0,0.190538194,-0.040943287,0.04697834,-0.023726852,-0.057436343,-0.010186887,-0.03197338,0.125434028,0,0.001335033,0.026160164,-0.22512442,-0.208009539,0.026575311,-0.047960344,0.441854815,0,-1.51E-16,0.151020408,-0.15,-0.307936508,-0.152941176,-0.047619048,0.714285714,0,1.41E-16,0.151020408,-0.15,-0.307936508,-0.152941176,-0.047619048,0.714285714,0,1.62E-14,0.151020408,-0.15,-0.307936508,-0.152941176,-0.047619048,0.714285714,0,2.34E-15,0.151020408,-0.15,-0.307936508,-0.152941176,-0.047619048,0.714285714,0,-3.40E-15,0.151020408,-0.15,-0.307936508,-0.152941176,-0.047619048,0.714285714,0,-0.214882308,0.246556026,-0.124525437,-0.301442673,-0.053463755,-0.167805619,0.658314351,0,1.092354569,0.944685344,1.306393819,1.313041366,0.941018237,0.75792113,0.058022764,0,1.15,0.891836735,1.191071429,1.277777778,1.043697479,0.876190476,0,0,1.15,0.891836735,1.191071429,1.277777778,1.043697479,0.876190476,0,0,1.15,0.891836735,1.191071429,1.277777778,1.043697479,0.876190476,0,0,1.15,0.891836735,1.191071429,1.277777778,1.043697479,0.876190476,0,0,1.15,0.891836735,1.191071429,1.277777778,1.043697479,0.876190476,0,0,1.408757277,0.660302997,1.175904834,1.296211929,0.936888651,1.117691724,0,0,38.24282499,19.12141249,26.42333966,38.24282499,3.824282499,19.12141252,3.55E-15,0.19995093,0.019995093,-1.60968329,75.58025582,7.558025582,4.325195083,38.24282499,19.12141249,26.42333966,38.24282499,3.824282499,19.12141252,3.55E-15,0.19995093,0.019995093,-1.60968329,75.58025582,7.558025582,4.325195083,38.24282499,19.12141249,26.42333966,38.24282499,3.824282499,19.12141252,3.55E-15,0.19995093,0.019995093,-1.60968329,75.58025582,7.558025582,4.325195083,38.24282499,19.12141249,26.42333966,38.24282499,3.824282499,19.12141252,3.55E-15,0.19995093,0.019995093,-1.60968329,75.58025582,7.558025582,4.325195083,38.24282499,19.12141249,26.42333966,38.24282499,3.824282499,19.12141252,3.55E-15,0.19995093,0.019995093,-1.60968329,75.58025582,7.558025582,4.325195083,38.24282499,19.12141249,26.42333966,38.24282499,3.824282499,19.12141252,3.55E-15,0.19995093,0.019995093,-1.60968329,75.58025582,7.558025582,4.325195083,43.11175961,21.33032261,30.03762429,43.06642628,4.306642628,21.33032261,-0.113333333,0.342299028,0.034229903,-1.072070573,80.81193358,8.081193358,4.392124647,0,11.89,12.11015511,-0.155061143,0.065337848,5.683368061,9.072757309,10,24,21,18,4,3,0,0,0,6,15.304898,3.8433556,3.132835263,2.964333301,2.498799433,2.360199186,1.868741453,1.530815542,0.747976462,2.016998148,1.626174868,1.502579197,1.204962516,1.03468869,0.776022952,0.511477969,0.017275569,3.853231656,3.162322054,2.997538192,2.537086264,2.421127615,1.934274842,1.616229961,0.8612696,1.987018313,1.550329449,1.420567368,1.100730274,0.948890618,0.65452455,0.39424737,0.113150511,3.899174075,3.301292924,3.150894758,2.72839917,2.656165026,2.215473332,1.954136062,1.318266072,1.908913708,1.330483135,1.182676928,0.7729224,0.694581725,0.27043721,0.013918387,0.600693291,3.860630834,3.184601664,3.022438114,2.565991516,2.46484255,1.982145258,1.677290347,0.943089726,1.968908828,1.502095298,1.368444586,1.032004775,0.894622557,0.574421966,0.317608133,0.204591908,3.923315163,3.373108759,3.228942965,2.838710279,2.746892167,2.348852073,2.095963496,1.509711161,1.887104398,1.264839347,1.11104716,0.674695555,0.60353033,0.145177981,0.125335213,0.789729973,3.856922833,3.187415749,3.062765385,2.650724745,2.549961478,2.03745892,1.721129224,1.028274553,1.969637443,1.471852872,1.300868406,0.920574384,0.815298933,0.496856962,0.249514041,0.287109707,0,0,0,3,3,3,1,0,0,0,0,0,0.068041382,0.184195286,0,0,0,0.024056261,0.065122868,0.691044062,0,0.11785113,0,0.413066307,0,0.058925565,0,1.41820032,1.837206481,2.347559179,0.762367864,0.896277773,0.99128153,7.560477932,4.736382105,4.063836075,3.149041354,2.219131906,1.671267628,0.587806669,0.212378949,0.756047793,0.473638211,0.312602775,0.20993609,0.138695744,0.09830986,0.065311852,0.053094737,6.939157589,3.798694043,2.783492337,1.885537311,1.181155845,0.756348883,0.223191992,0.080493819,0.693915759,0.379869404,0.214114795,0.125702487,0.07382224,0.044491111,0.02479911,0.020123455,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.30504,43.1,42.60022158,58.59403027,85.20044317,8.520044317,42.60022158,0.005572597,5.57E-04,-5.189894143,64.21742664,6.421742664,4.162274617,80,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,3,0,0,0,0,0,0,0,0,3,0,1,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.855,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.133819444,0,0.645277778,0,0,1.133819444,0,0,0,0,0,0,0,0,6.498657407,0,1.146342593,0,0,6.60912037,0,0,0,0,4.24587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.36337963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0.285972222,0,0,0.363194444,0,0,0,0,0,0,0,0,2.1375,0,1.146342593,0,0,2.161203704,0,0,0,0,1.36337963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.389652778,0,0.359305556,0,0,0.389652778,0,0,0,0,0,0,0,0,2.196203704,0,1.146342593,0,0,2.259259259,0,0,0,0,1.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.5,1.85,0.389652778,2.259259259,0.116319444,1.146342593,6.185260046,0.353657407,0.259259259,2.215555556,0.353657407,0.259259259,2.215555556,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.3,0.3,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.12684,0.71268,12.04465,4.91782,0.49178,2.65706,0.26571,4.73636,2.0793,0.20793,0.17764,0.01776,0.26364,0.02636,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.321695404,3.29248125,3.490601563,3.621653522,3.621653522,23.51685016,55.72068971,79.01955001,83.77443751,86.91968454,86.91968454,0.213713581,0.506371732,0.718104292,0.761315182,0.789898177,0.789898177,3.605093744,2.263267096,1.29248125,1.094360938,0.963308978,0.963308978,0.206076118,0.48827557,0.692441461,0.734108128,0.761669655,0.761669655,6.772325919,18.0677644,22.48567837,23.60136356,23.73344101,23.73344101,37.92632204,26.17699528,19.8948625,18.26591511,17.93533532,17.93533532,8.1,3.408284024,1.991111111,2,6,2,2.56,1.28,0.646330407,4.431312644,3.807442432,0,2.620741394,7.485690587,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.1,0.505,0.68,4.871,13,15,16,17,9,4,1,0,0,95,2.63905733,3.198673118,3.669951444,4.092259056,4.52923362,4.123093976,3.361893332,2.151035195,0,0,5.80663986,3.489473684,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,5,0.666666667,2.5,1.333333333,0.6875,0.533333333,0.0625,0,0,0,0,0,0.25,0.102564103,0.057291667,0.076190476,0.020833333,0,0,0,0,0,0.506879579,23.74880641,33.19882277,47.49761282,4.749761282,23.74880641,0.044471669,0.004447167,-3.112902943,47.56259181,4.756259181,3.862046566,0,150.3504702,4.321928095,3.850147602,4.634728988,5.459585514,6.267200549,7.090909822,7.905072849,8.726967775,9.543449818,10.36429276,83.84235567,3.044522438,0,4.290459441,0,5.752572639,0,7.311218384,0,8.913415718,9.142382679,134.1095504,5.587897935,19.39764338,1.939764338,0,0,0,115,12,3.722,46,1.235345989,2.146071936,3.024895154,3.795366449,4.577870912,5.415358769,6.183631008,0,0,0,92.61138514,119.6930584,141.6482823,111.820102,76.93214684,33.69202817,6.282964857,0,0,0,323.1774761,440.0577444,570.1760285,549.005511,473.8338812,380.9472769,192.2104059,0,0,0,9.041223086,15.41654856,21.72583097,26.97056025,32.0120567,37.39744462,41.54450232,0,0,0,2.360044781,3.34779989,4.495906682,4.691997886,4.440028238,4.10793851,2.749322145,0,0,0,173.6889854,322.8178583,453.6722712,588.7159293,748.7848148,920.5828973,1143.462527,0,0,0,3.139385026,4.62684199,6.575621296,7.326689138,7.53850389,7.957024631,6.183631008,0,0,0,0.485982744,0.695635294,0.939616274,0.994356573,0.956543542,0.904265961,0.633203815,0,0,0,292.8959191,142.0224027,9.781740313,91.29543519,-44.26827491,-4.416045813,201.6004839,186.2906776,14.19778613,0.762369886,0.369665796,0.025460595,0.237630114,-0.115224547,-0.011494391,112.5280798,54.56377925,3.758060058,35.07491688,-17.00748849,-1.696606622,0.128480567,0.126331197,1.699667474,1.140235436,384.1913543,0,1,0,731.2346257,27.04135029,9.00918661,867.4900677,29.45318434,9.537213474,1292.801239,35.95554532,10.89374621,1.51569444,1.51569444,654.9361098,432.9234999,264.4485433,1.512821803,2.476610768,1.637080297,4.445103979,4.340721796,7.138102735,0.64445064,4.149702385,5.585879541,4.109580612,12.01387273,5.431310368,5.280268393,9.619956063,7.280286884,7.503442741,5.82618993,4.611120074,7.980410361,0.149888415,2.05E-06,5.47E-33,2.81E-81,2.78E-151,5.32E-243,0,0,0,0,0,0,0,0,0,0,0,0,0.348365374,4.824851572,0.305264119,6.365610579,1.750658052,1.392274942,1.019796476,1.061140097,0.858786695,0.391254354,0.204389442,0.056400931,0.001055676,1.44E-08,3.85E-35,1.98E-83,1.96E-153,3.75E-245,0,0,0,0,0,0,0,0,0,0,0,0,1.124299299,4.87570538,1.010898275,7.200898055,2.095425651,1.890320811,2.629626872,2.133008013,1.829374999,1.25642463,0.780054742,0.58621603,0.011000962,1.51E-07,4.01E-34,2.06E-82,2.04E-152,3.91E-244,0,0,0,0,0,0,0,0,0,0,0,0,3.916987257,5.502325481,3.8515982,11.55571851,5.062165913,4.937683051,9.041935894,6.829653482,6.960203993,5.407071557,4.226778479,7.110535707,0.133547879,1.83E-06,4.87E-33,2.50E-81,2.48E-151,4.74E-243,0,0,0,0,0,0,0,0,0,0,0,0,1.656953614,4.941639642,1.516348039,7.868611576,2.452805568,2.319976463,3.777970142,2.927481047,2.610183967,1.92284967,1.271386427,1.272861551,0.023895559,3.27E-07,8.71E-34,4.48E-82,4.44E-152,8.49E-244,0,0,0,0,0,0,0,0,0,0,0,0,5.011341757,5.937212998,5.093255363,13.83780117,6.961380166,6.667433609,11.81860685,9.02814766,9.669748744,7.476092231,6.16424362,11.63804492,0.218598166,2.99E-06,7.97E-33,4.10E-81,4.06E-151,7.77E-243,0,0,0,0,0,0,0,0,0,0,0,0,2.343514023,4.543994705,1.957528006,8.61993707,3.041773433,2.87001913,5.195016332,3.960157056,3.511257659,2.90508264,2.000363181,2.33248707,0.043795008,5.99E-07,1.60E-33,8.21E-82,8.14E-152,1.56E-243,0,0,0,0,0,0,0,0,0,0,0,0,4.518541636,2.813938032,0.444005894,0.58105189,0.361852152,0.554965708,0.55171962,0.360189359,7.776485562,15.97056035,29.39253476,0.414356063,1.466874686,3.096230983,1.829568769,0.159259287,0.608887912,0.359793024,0.267703659,0.234104356,0.046241763,5.085059039,6.449246866,12.43647274,0.453021405,0.548049777,3.598420367,2.182177693,0.260399289,0.595666603,0.36122805,0.357159582,0.334042484,0.123740678,6.040997349,9.357656279,17.44341109,0.435341979,0.814942744,4.476314608,2.785241972,0.435615088,0.581553173,0.361852651,0.544922172,0.540782034,0.346688835,7.697171668,15.63086293,28.75911769,0.415108736,1.432393041,3.846903564,2.354312614,0.310164912,0.59079687,0.361568856,0.406240033,0.388514319,0.175623368,6.51138109,10.98021325,20.30070013,0.428548589,0.970377719,4.65352681,2.905515918,0.4708101,0.579528281,0.361839249,0.587696399,0.587286777,0.405046255,8.029852829,17.07976989,31.47539722,0.412051296,1.580029431,4.479669655,2.788794411,0.435262417,0.581493861,0.362005896,0.545652486,0.542078487,0.346250752,7.703726483,15.65656693,28.79797356,0.415249636,1.433981725 +UMLRON0192,L,"1,4-dimethyl-2-ethylbenzene",CCC1=C(C=CC(=C1)C)C,15653,,"Sandia, UML",[1],C10H14,PubChem,,100.6,0,0.8404,0.70627216,30.8396,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1598.091777,1031.200804,399.786073,90.93168,9.144576,0,0,3399.790734,4570.930941,6845.084609,6384.093196,3638.87454,1247.927098,279.7536999,0,0,146.842108,152.43046,299.153988,407.329168,384.24106,163.638144,60.466176,0,0,25.74688067,35.11192034,55.82667958,59.24622745,39.28337506,14.68429815,4.001516144,0,0,3476.407621,3031.276161,6480.349218,9348.106878,9724.95334,4247.253023,1664.258868,0,0,32.30555556,39.25,65.94444444,86.33333333,70,30,9,0,0,48.76541633,56.15943233,38.04980421,17.77932421,7.139037018,3.78882,1.016064,0,0,161.8947969,217.6633782,162.978205,110.0705723,64.97990251,51.99696242,31.08374443,0,0,6.992481333,7.258593333,7.122714,7.02291669,6.8614475,6.818256,6.718464,0,0,1.226041937,1.671996207,1.329206657,1.02148668,0.70148884,0.611845756,0.444612905,0,0,165.54322,144.3464838,154.294029,161.1742565,173.6598811,176.9688759,184.917652,0,0,1.538359788,1.869047619,1.57010582,1.488505747,1.25,1.25,1,0,0,0.028021059,-0.002788608,-0.001600313,-0.022556882,0.005240851,0.002865749,0.004828673,0,0,564.9747087,4.62E-13,-40.35533633,-511.1675936,67.25889389,80.71067267,121.066009,0,0,1050.594596,0,-75.04247115,-950.5379679,125.0707852,150.0849423,225.1274134,0,0,0.110674667,1.58E-15,-0.007905333,-0.100134222,0.013175556,0.015810667,0.023716,0,0,4.696646663,7.55E-15,-0.335474762,-4.24934698,0.559124603,0.670949523,1.006424285,0,0,25.51225921,1.91E-14,-1.822304229,-23.08252024,3.037173716,3.644608459,5.466912688,0,0,2.145502646,-0.896825397,0.431216931,-1.341017889,0.625220459,-0.245653817,0.35430839,0,0,0.001334336,-1.33E-04,-3.81E-05,-3.89E-04,9.36E-05,1.19E-04,5.37E-04,0,0,26.90355756,2.20E-14,-0.960841341,-8.813234372,1.201051677,3.362944694,13.45177878,0,0,50.0283141,0,-1.786725503,-16.38858565,2.233406879,6.253539262,25.01415705,0,0,0.005270222,7.54E-17,-1.88E-04,-0.001726452,2.35E-04,6.59E-04,0.002635111,0,0,0.223649841,3.60E-16,-0.007987494,-0.073264603,0.009984368,0.02795623,0.111824921,0,0,1.214869486,9.09E-16,-0.043388196,-0.397974487,0.054235245,0.151858686,0.607434743,0,0,0.102166793,-0.042705971,0.01026707,-0.023120998,0.011164651,-0.010235576,0.039367599,0,0,-0.099518284,-0.02855554,-0.291464603,0.070137215,0.089487362,0.402086988,0,0,8.17E-16,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,0,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,1.43E-14,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,1.61E-15,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,7.48E-16,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,-0.418002466,0.100493218,-0.226306391,0.109278668,-0.100184957,0.385326757,0,0,1.527399563,1.117012583,1.325574756,0.684674058,0.657708233,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.935881628,0.733662145,1.250053149,0.6797164,1.165228113,0,0,0,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,27.96203969,13.89173413,20.50536604,27.83448867,3.976355525,13.89173666,-0.178571429,2.22E-16,3.17E-17,-25.23055737,2000016.269,285716.6099,10.15606611,0,11.89,12.11009426,-0.163181251,0.057741111,5.809849799,7.769255455,7,21,21,21,7,0,0,0,0,0,15.304898,3.670058915,2.933810622,2.568356182,2.214034341,1.840573327,0.98819579,0.898836676,0.083923071,1.820055384,1.784392849,1.296410032,1.14153701,0.728697418,0.430007647,0.32530402,0.083923071,3.693122535,2.974228832,2.620054894,2.281999042,1.918428202,1.111527094,1.02732901,0.270913902,1.759669096,1.720804688,1.191241112,1.027268224,0.590909257,0.279396622,0.161003297,0.270913902,3.794799492,3.153618635,2.846743542,2.56645936,2.244248759,1.597243875,1.531069198,0.943918427,1.584305129,1.534222857,0.856807739,0.656619408,0.134098508,0.227674607,0.41162516,0.943918427,3.710123482,3.00414231,2.658192536,2.331360111,1.975003119,1.199329816,1.118667035,0.399277246,1.721399536,1.680334487,1.122087157,0.95158259,0.498863226,0.178221864,0.04938883,0.399277246,3.84455841,3.240986499,2.955115796,2.695693538,2.39175294,1.802727072,1.743066004,1.207644823,1.530440043,1.476327506,0.744668785,0.52944963,0.025930955,0.408464249,0.626104263,1.207644823,3.69742235,3.129789868,2.768810474,2.445685514,2.071696928,1.330336592,1.256370784,0.626865672,1.691948461,1.647492979,0.938117443,0.765204986,0.360295356,0.035765205,0.126771621,0.626865672,0,0,0,0,0,2,3,2,0,0,0,0.11785113,0.23570226,0.11785113,0,0,0.11785113,0.23570226,0.11785113,0.577350269,0,0,0,0.577350269,0,0,0,0.741581624,1.040440115,0.589255651,0.741581624,1.040440115,0.589255651,5.276020882,3.2876937,3.023395961,1.95700308,1.491624578,0.638071187,0,0,0.753717269,0.469670529,0.335932885,0.217444787,0.149162458,0.127614237,0,0,5.276020882,3.2876937,3.023395961,1.95700308,1.491624578,0.638071187,0,0,0.753717269,0.469670529,0.335932885,0.217444787,0.149162458,0.127614237,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.4425,32.179,22.47266809,30.16393587,44.94533619,6.420762312,22.47266809,3.33E-16,4.76E-17,-24.9467318,2000014.736,285716.3909,10.15606557,42,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,4.701388889,0,4.418981481,0,0,0,2.046296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.350694444,0,1.472222222,0,0,0,1.023148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.350694444,0,1.47337963,0,0,0,1.023148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.16666667,1.595238095,0.2,2.350694444,0.2,1.023148148,5.030625,0.310185185,0.350694444,1.402777778,0.310185185,0.350694444,1.402777778,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.28571,0.28571,0,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.88311,0.9833,6.88311,0,0,3.28768,0.46967,3.28768,0,0,0.12632,0.01805,0.21232,0.03033,0.238095238,7,0,0,0,0,0,0,1,0.918295834,1.437181403,2.534243613,2.796613851,2.606137661,2.534243613,19.28421252,30.18080947,53.21911587,58.72889087,54.72889087,53.21911587,0.209068641,0.327203447,0.576971874,0.636705771,0.593340009,0.576971874,3.474021589,2.95513602,1.85807381,1.595703572,1.786179762,1.85807381,0.209068641,0.327203447,0.576971874,0.636705771,0.593340009,0.576971874,6.73287657,12.9595034,15.50715994,15.77158323,13.48586895,15.50715994,27.64912502,20.43243106,19.72855157,19.09910259,22.28154241,19.72855157,5.142857143,1.851851852,1.185185185,0,0,0,2.23,0.9863,0.25,2.620741394,2.309401077,0,1.889881575,4.762203156,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.167,9,9,10,5,0,0,0,0,0,47,2.079441542,2.302585093,2.302585093,2.397895273,1.791759469,0,0,0,0,0,3.871201011,1,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,0,2,4,1,2,0.666666667,0.569444444,0,0,0,0,0,0,0,0.285714286,0.074074074,0.142361111,0,0,0,0,0,0,0,0.502149471,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,0,117.2718924,3.807354922,3.496507561,4.234106505,5.043425117,5.802118375,6.610696045,7.378383713,8.182838711,8.955835144,9.75643661,73.46034778,2.708050201,0,3.931825633,2.397895273,5.303304908,4.59511985,6.736966958,6.502790046,8.206583614,8.621913502,98.10955045,4.671883355,13.45353991,1.921934272,0,0,0,41,4,3.861,32,1.343117981,2.387748184,3.30076489,4.055729021,4.90477517,5.618364738,0,0,0,0,95.70321648,107.3145279,66.93564181,32.92165967,19.89113576,5.708618149,0,0,0,0,339.7181944,434.5736926,389.9333773,280.5345184,264.8975453,174.6398136,0,0,0,0,9.8140227,17.10377092,23.25362753,27.88951434,33.48908162,37.74678123,0,0,0,0,2.502707816,3.446192002,3.543437782,2.966017675,3.079844572,2.497997467,0,0,0,0,189.8352978,361.5686675,526.5937837,699.5695377,864.2433504,1038.934816,0,0,0,0,2.571827921,3.916571251,5.04690928,5.187680066,6.248886434,5.618364738,0,0,0,0,0.516208864,0.721163011,0.758827304,0.652475557,0.687198687,0.575320549,0,0,0,0,301.3907856,108.0771834,7.681875059,54.21747512,-19.44210732,-2.775911306,247.1733105,127.5192907,10.45778637,0.847535951,0.303922027,0.021602071,0.152464049,-0.054672823,-0.007806093,107.1770531,38.4331392,2.731738229,19.28018203,-6.913773969,-0.987136992,0.082656363,0.173762382,1.532306508,1.699488296,355.6082607,0,1,0,340.3421315,18.44836393,6.981872358,475.9606367,21.8165221,7.807710088,540.9259275,23.25781433,8.147904551,1.170540799,1.079704131,380.6148952,359.2357983,138.1975316,1.059512713,2.754136711,2.599437154,4.130397679,3.964631517,7.232820171,0.824336042,3.904607748,3.492871915,2.203786955,9.905142693,10.1560406,6.933149317,5.684510452,10.86158054,4.289390457,1.376926042,1.954472533,0.667930616,0.004424831,7.94E-04,2.75E-26,1.83E-70,2.36E-136,5.86E-224,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,3.492623452,0.747249648,3.211139567,1.164599427,2.579858486,0.302784826,0.42632748,0.460604942,0.098123644,0.023665484,0.00472018,3.12E-05,5.59E-06,1.94E-28,1.29E-72,1.66E-138,4.13E-226,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,3.492640606,0.979796962,4.165462939,2.373448994,3.191054992,1.007074656,1.52651488,0.918209089,0.328241316,0.168882175,0.049063152,3.25E-04,5.83E-05,2.02E-27,1.35E-71,1.73E-137,4.30E-225,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,3.492844831,2.09170778,9.349565538,9.383957741,6.568507993,5.215577745,9.858407852,3.940398327,1.287702623,1.748216559,0.595125095,0.003942445,7.07E-04,2.45E-26,1.63E-70,2.10E-136,5.22E-224,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,3.492662347,1.158662878,4.942926757,3.389305738,3.692988914,1.607604108,2.587548826,1.328522286,0.495388641,0.342473094,0.106532621,7.05E-04,1.27E-04,4.38E-27,2.92E-71,3.76E-137,9.35E-225,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,3.492985676,2.64477942,12.12771149,13.26636384,8.394678047,7.579111867,14.98955131,5.711667093,1.719697268,2.818123535,0.974062203,0.0064532,0.001157883,4.01E-26,2.67E-70,3.44E-136,8.55E-224,0,0,0,0,0,0,0,0,0,0,0,0,2.593793786,3.311288551,1.290460218,6.065826389,5.455404525,4.588287564,2.969007901,5.035033834,2.670022247,0.851099565,0.818632869,0.262551613,0.001738784,3.12E-04,1.08E-26,7.21E-71,9.28E-137,2.30E-224,0,0,0,0,0,0,0,0,0,0,0,0,3.841498335,1.325580748,1.152801804,0.607843471,0.209747742,0.495868308,0.385181716,0.554347888,6.319880886,11.04883432,23.23903127,0.411765207,1.435397913,3.067508003,0.813448624,0.602042661,0.684253511,0.181451874,0.316269641,0.144907374,0.150377324,4.482999288,4.831761619,10.81701398,0.526380267,0.611554339,3.374731392,1.016890157,0.820927487,0.647424392,0.195085005,0.382710194,0.226582341,0.280394025,5.212549036,7.036933978,15.06668543,0.471136588,0.889686559,3.822319267,1.312905142,1.139180464,0.609192321,0.209247756,0.490927953,0.377848408,0.541290478,6.274404873,10.86828995,22.8594927,0.413788481,1.410066839,3.511753166,1.107553856,0.918432365,0.63414923,0.20000108,0.414399007,0.268834102,0.351296901,5.537739386,8.131976831,17.24191827,0.451223844,1.03453001,3.901547992,1.365263976,1.195442174,0.603744128,0.211267453,0.511497925,0.40859339,0.596220488,6.462254141,11.62281207,24.4527598,0.405616192,1.516311802,3.839437477,1.313315945,1.142992541,0.609846315,0.208603707,0.495332478,0.378207276,0.545018408,6.295745962,10.93195318,22.99111839,0.414769473,1.418558162 +UMLRON0193,L,"trans-1,3-dimethylcyclopentane",C[C@@H]1CC[C@H](C1)C,15656,Sandia values from independent API report ,Sandia,,C7H14,PubChem,,80.6,0,0.2418,0.05846724,35.9148,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1179.348079,1142.101302,959.569469,758.748484,606.355851,466.155986,281.592025,84.835296,3823.307636,4570.930941,5376.144415,4804.518492,3673.385169,3001.198312,2702.016388,2068.222976,1061.424631,154.382624,152.43046,269.01564,300.189236,210.43048,149.142252,168.475592,186.21226,123.32736,28.53578067,35.11192034,45.67750387,42.88055568,32.0805752,25.73477196,24.72432358,21.03814958,12.01662072,3603.201977,3031.276161,5978.638706,7088.53068,4869.904917,3263.769344,3876.645596,4616.702266,3137.747111,43.5,48.25,70,76.75,57.5,39.25,37,37,24,53.10626655,56.15943233,30.05529742,22.31556905,25.29161613,28.87408814,19.42316608,10.42933426,4.713072,173.7867107,217.6633782,141.4774846,111.7329882,122.4461723,142.9142053,112.5840162,76.60085098,58.96803508,7.017392,7.258593333,7.079358947,6.981145023,7.014349333,7.102012,7.019816333,6.89675037,6.85152,1.297080939,1.671996207,1.202039575,0.997222225,1.069352507,1.225465331,1.030180149,0.779190725,0.66759004,163.781908,144.3464838,157.3325975,164.8495507,162.3301639,155.4175878,161.5268998,170.9889728,174.3192839,1.977272727,2.297619048,1.842105263,1.784883721,1.916666667,1.869047619,1.541666667,1.37037037,1.333333333,0.046203753,0.001367201,-0.021739244,0.00210067,-5.02E-04,-0.013165071,5.14E-04,0.004920735,-0.001374424,616.3360458,-49.02673092,-162.0883757,61.03327726,-4.002182116,-181.0987407,-166.0905578,25.01363822,24.01309269,1146.103196,-91.16729966,-301.410256,113.4939853,-7.442228543,-336.7608416,-308.8524846,46.5139284,44.65337126,0.120736,-0.009604,-0.031752,0.011956,-7.84E-04,-0.035476,-0.032536,0.0049,0.004704,5.123614541,-0.407560248,-1.347444084,0.50737092,-0.033270224,-1.505477649,-1.380714308,0.207938902,0.199621346,27.8315555,-2.213873733,-7.319337649,2.756046893,-0.180724386,-8.177778484,-7.500062035,1.129527415,1.084346318,5.272727273,0.376033058,-1.061983471,-0.123966942,-1.099173554,-2.033057851,-0.388429752,0.869834711,-0.08677686,0.002100171,6.51E-05,-5.72E-04,4.89E-05,-1.67E-05,-6.27E-04,2.14E-05,1.82E-04,-7.64E-05,28.01527481,-2.334606234,-4.265483571,1.419378541,-0.133406071,-8.623749559,-6.920439908,0.926431045,1.334060705,52.0955998,-4.341299984,-7.931848842,2.639395007,-0.248074285,-16.03623055,-12.86885352,1.722738089,2.480742848,0.005488,-4.57E-04,-8.36E-04,2.78E-04,-2.61E-05,-0.001689333,-0.001355667,1.81E-04,2.61E-04,0.23289157,-0.019407631,-0.035459055,0.011799324,-0.001109007,-0.071689412,-0.057529763,0.007701441,0.011090075,1.265070705,-0.105422559,-0.192614149,0.064094114,-0.006024146,-0.389418023,-0.312502585,0.041834349,0.060241462,0.239669421,0.017906336,-0.027946933,-0.002882952,-0.036639118,-0.096812279,-0.016184573,0.0322161,-0.004820937,0.030999779,-0.272399477,0.023261341,-0.007972567,-0.29850343,0.010199657,0.086778409,-0.03635748,-0.083333333,-0.152255639,0.050664452,-0.004761905,-0.307823129,-0.24702381,0.033068783,0.047619048,-0.083333333,-0.152255639,0.050664452,-0.004761905,-0.307823129,-0.24702381,0.033068783,0.047619048,-0.083333333,-0.152255639,0.050664452,-0.004761905,-0.307823129,-0.24702381,0.033068783,0.047619048,-0.083333333,-0.152255639,0.050664452,-0.004761905,-0.307823129,-0.24702381,0.033068783,0.047619048,-0.083333333,-0.152255639,0.050664452,-0.004761905,-0.307823129,-0.24702381,0.033068783,0.047619048,0.074712644,-0.116606171,-0.012028869,-0.152873563,-0.403940887,-0.067528736,0.134418902,-0.020114943,1.105659887,1.289153846,1.084153106,1.353848316,1.471917525,0.642165143,0.54638114,0.58248561,1.375,1.194078947,0.863372093,0.9625,1.375,1.203125,0.763888889,0.6875,1.375,1.194078947,0.863372093,0.9625,1.375,1.203125,0.763888889,0.6875,1.375,1.194078947,0.863372093,0.9625,1.375,1.203125,0.763888889,0.6875,1.375,1.194078947,0.863372093,0.9625,1.375,1.203125,0.763888889,0.6875,1.375,1.194078947,0.863372093,0.9625,1.375,1.203125,0.763888889,0.6875,0.995689655,1.100499093,1.204089816,1.593103448,1.517241379,0.580818966,0.405651341,0.663793103,38.53033748,19.26516874,30.31407693,38.53033748,4.816292185,19.26516876,1.07E-14,0,0,0,58.6372194,7.329652425,3.257095711,38.53033748,19.26516874,30.31407693,38.53033748,4.816292185,19.26516876,1.07E-14,0,0,0,58.6372194,7.329652425,3.257095711,38.53033748,19.26516874,30.31407693,38.53033748,4.816292185,19.26516876,1.07E-14,0,0,0,58.6372194,7.329652425,3.257095711,38.53033748,19.26516874,30.31407693,38.53033748,4.816292185,19.26516876,1.07E-14,0,0,0,58.6372194,7.329652425,3.257095711,38.53033748,19.26516874,30.31407693,38.53033748,4.816292185,19.26516876,1.07E-14,0,0,0,58.6372194,7.329652425,3.257095711,38.53033748,19.26516874,30.31407693,38.53033748,4.816292185,19.26516876,1.07E-14,0,0,0,58.6372194,7.329652425,3.257095711,45.5753634,22.52279274,35.09217566,45.3878634,5.673482925,22.52279274,-0.375,5.55E-16,6.94E-17,-28.10189013,104.4682583,13.05853228,3.719106621,0,11.89,12.11011416,-0.165187158,0.05581999,5.032546819,6.677685149,7,21,20,20,6,0,0,1,0,1,15.304898,3.542796752,3.206090085,2.858745342,2.295078277,1.883945778,1.389161221,1.218535195,0.083923071,1.857485322,1.733537382,1.383106621,1.144408948,0.763948573,0.642256717,0.366070664,0.083923071,3.559808502,3.242647022,2.894549089,2.358272468,1.951253357,1.494469185,1.32693186,0.270913902,1.803703367,1.658883504,1.306840954,1.033584378,0.647663886,0.495282412,0.25648957,0.270913902,3.642010504,3.402216059,3.051085734,2.628243739,2.23269962,1.920124367,1.749446163,0.943918427,1.65988074,1.433748493,1.082136753,0.680097728,0.285816071,0.002410288,0.176953871,0.943918427,3.57273381,3.269532091,2.920886118,2.404505431,2.0001399,1.570146997,1.403964684,0.399277246,1.770640597,1.610832525,1.258287881,0.96061356,0.572227172,0.396395882,0.177247941,0.399277246,3.686446144,3.478908363,3.126733329,2.75337769,2.360589014,2.104931627,1.922846413,1.207644823,1.620027962,1.362019587,1.011581137,0.561359267,0.163815927,0.18174923,0.349091007,1.207644823,3.678135729,3.221121503,3.013027372,2.421221325,2.070723338,1.600310866,1.460490752,0.533333333,1.764728654,1.639750558,1.140708381,0.915971968,0.464379922,0.334603858,0.004887544,0.533333333,0,2,0,0,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.828427125,3.371320344,1.853553391,0.875,0.426776695,0.239276695,0.125,0.0625,0.728553391,0.481617192,0.308925565,0.175,0.106694174,0.079758898,0.0625,0.0625,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.66959,36.947,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,2,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.171944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.837222222,0.761111111,0,0,0,0,0,0,0,0,0,0,4.306797052,0,4.521258503,0,0,0,0,0,6.171944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.085972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.25125,0.380555556,0,0,0,0,0,0,0,0,0,0,2.153398526,0,1.069444444,0,0,0,0,0,3.085972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.085972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380555556,0.380555556,0,0,0,0,0,0,0,0,0,0,2.153398526,0,1.191184807,0,0,0,0,0,3.085972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15,1.875,0.380555556,3.085972222,0.181388889,1.069444444,4.811275981,0.430555556,0.585972222,2.957482993,0.430555556,0.585972222,2.957482993,4,0.5,0,0,0.44545,0.7,0.42308,0.42308,0.7,0.02238,0.02238,0,0,0.71429,0,0,0.25,0,0,5.5,0.6875,3.5,0.4375,2,0.25,-1.5,-0.1875,0,0,6.28952,0.78619,7.95768,1.66816,0.20852,3.15824,0.39478,3.91421,0.75597,0.0945,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,1,0.945660305,1.672933032,2.663532755,2.663532755,2.481714573,2.040373394,20.8045267,36.8045267,58.59772061,58.59772061,54.59772061,44.88821466,0.212058483,0.375144901,0.597280771,0.597280771,0.556509166,0.457541133,3.513771314,2.786498587,1.795898864,1.795898864,1.977717046,2.419058225,0.209052139,0.369826488,0.588813148,0.588813148,0.548619561,0.451054592,6.786633838,15.51390657,16.51225776,16.51225776,14.33043958,13.88564489,31.28312609,20.90511218,21.74036979,21.74036979,24.92458423,25.23906415,8,7,7.2,8,2,8,2.34,1.1498,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.113,0.096,0.161,0.08,3.1,6,5,4,3,2,1,0,0,0,36,2.302585093,2.397895273,2.48490665,2.564949357,2.302585093,1.945910149,1.386294361,0,0,0,4.234106505,1.888888889,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,4,0.571428571,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,141.6514183,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,110.1095504,5.004979566,14.83110795,1.853888494,0,0,0,84,5,3.682,26,1.229809524,2.127348653,2.91951107,3.833523086,5.299612267,6.073521029,7.122265547,8.060742987,9.453369179,0,79.35687146,73.38446218,78.8042692,119.0063123,170.1221623,134.6508676,83.86631961,41.69821637,9.605228102,0,291.7301475,327.6474687,363.3040963,537.7707891,799.1350337,742.4825654,578.4159419,503.2885017,293.8461116,0,8.959618463,15.11949346,20.45795403,27.0663651,37.70390427,42.81259702,49.21696526,55.36177015,63.51212051,0,2.186701859,2.719040868,3.132043447,4.533109254,6.727655669,6.64876557,5.766719663,5.604872882,4.203089931,0,175.4684249,330.4600799,475.8970781,609.2692408,819.3289785,967.6087749,1210.565943,1394.514917,1748.094832,0,2.919214286,4.090396861,5.476929617,7.843781296,10.10940402,9.730896884,9.998356065,11.0819235,9.453369179,0,0.452472857,0.573724509,0.666583482,0.959957688,1.422324524,1.420763541,1.257052832,1.241134521,0.968025004,0,419.2007065,178.0039611,11.32799576,172.4015073,-73.20634418,-10.84738484,246.7991992,251.2103053,22.1753806,0.708585426,0.300884542,0.019147994,0.291414574,-0.123742512,-0.018335606,248.000066,105.3075374,6.70166737,101.9931134,-43.30903528,-6.417336883,0.094150229,0.24207426,2.453533591,3.776002878,591.6022138,0,1,0,479.6336824,21.90054069,7.827742991,615.2521876,24.80427761,8.505197226,709.1746855,26.63033394,8.917663383,2.799789414,2.799789414,964.7497748,946.4929,45.73380127,1.019288972,21.09489585,20.69569714,4.449750168,5.508450727,9.883359694,0.794217682,3.91577913,5.622304094,2.9804238,10.02085333,4.293046668,5.151588799,0.499803633,2.820577996,8.402069187,5.686272113,3.236727624,2.820819075,8.847597282,2.883415723,2.700762431,0.058644673,0.969895171,0.991770587,0.491243373,3.21E-17,7.07E-55,3.13E-114,2.68E-195,4.44E-298,0,0,0,0,0,0,0.338858053,5.6220141,0.213746513,3.626455769,0.035835742,2.25767323,0.149824761,0.236652596,1.821211849,0.35108425,0.34702559,0.414088541,0.214424489,0.024919697,0.086401319,0.054676076,0.022417079,0.008932338,0.003459867,2.26E-19,4.98E-57,2.21E-116,1.89E-197,3.12E-300,0,0,0,0,0,0,1.068983902,5.622034029,0.713971479,4.185072613,0.329339617,2.836626988,0.221209269,0.763970927,2.553880698,1.21644795,0.792416717,0.90535327,1.031924061,0.218729273,0.371331979,0.055486151,0.111196672,0.077793126,0.036054484,2.35E-18,5.19E-56,2.30E-115,1.97E-196,3.26E-299,0,0,0,0,0,0,3.696802585,5.62227245,2.788227289,9.365264878,3.828836219,4.97026644,0.478359201,2.662350923,7.783175119,5.280531569,3.008717446,2.673480657,7.98487174,2.570568163,2.452725572,0.058401718,0.874879838,0.884990512,0.437689001,2.86E-17,6.30E-55,2.79E-114,2.39E-195,3.95E-298,0,0,0,0,0,0,1.570192408,5.622059369,1.076515438,4.790231316,0.70169383,3.237551223,0.270228423,1.125992853,3.238141927,1.876902845,1.141056531,1.242591189,1.873617342,0.46747468,0.640776927,0.056042242,0.203205186,0.164185413,0.078315158,5.11E-18,1.13E-55,5.00E-115,4.28E-196,7.07E-299,0,0,0,0,0,0,4.726550715,5.622437029,3.717954217,12.74809981,6.242966819,5.827666019,0.57922426,3.406468198,10.93882836,7.278386269,4.138972222,3.366347035,12.42135074,4.19827056,3.719034527,0.059544225,1.363717852,1.440052912,0.716432291,4.68E-17,1.03E-54,4.57E-114,3.92E-195,6.47E-298,0,0,0,0,0,0,1.923821346,4.783026444,1.581803853,5.346853449,1.2422676,4.337372679,0.361400591,1.802171053,4.505526909,3.322499902,1.266833963,1.428840334,2.914176893,0.826431943,0.892864137,0.064260084,0.333492283,0.289308044,0.139731448,9.12E-18,2.01E-55,8.91E-115,7.64E-196,1.26E-298,0,0,0,0,0,0,10.97520162,0.73025325,0.487680519,0.90011316,0.059890523,0.651168816,0.523326325,0.420354997,12.19313538,13.72319895,29.824936,0.850169739,1.594850138,8.470740595,0.290505539,0.126241022,0.953108617,0.032687028,0.387812213,0.082242269,0.028167377,8.887487157,3.566825732,12.76496643,0.929662926,0.498221858,9.424405709,0.457988327,0.26387635,0.928854185,0.045138589,0.480090743,0.20505065,0.123068338,10.14627039,6.923997872,18.20922925,0.893281277,0.80820973,10.9088911,0.71861322,0.478111087,0.901143043,0.059361973,0.643320925,0.506704905,0.404020153,12.10561541,13.39851209,29.25217101,0.851714564,1.554045983,9.866399233,0.535596279,0.327664115,0.919544475,0.04991736,0.52619743,0.280778158,0.18975934,10.72965963,8.692767376,21.15393746,0.879316713,0.996734928,11.18432523,0.76696156,0.51785955,0.896959978,0.061508746,0.676230475,0.577510081,0.473990218,12.46914634,14.76703552,31.67835391,0.845439967,1.727730774,10.89333899,0.716661813,0.47776785,0.901186919,0.059288181,0.641490819,0.504021627,0.403440268,12.08776865,13.3537252,29.17135105,0.851780378,1.548952715 +UMLRON0194,L,4-octyne,CCCC#CCCC,16029,,UML,[1],C8H14,PubChem,,59.6,0,-0.64,0.4096,33.7033,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,1864.442842,1358.168118,1048.469021,843.58378,525.761042,141.39216,12.192768,4371.159516,5876.91121,8447.051418,7895.772654,5990.278101,4734.809801,3502.884042,1769.041052,373.0049332,188.796996,195.98202,384.589288,530.70396,450.390452,333.75784,270.849224,205.5456,80.621568,33.10313229,45.14389758,70.19563559,73.27569674,56.67562801,44.09719592,34.06924277,20.0277012,5.335354858,4469.666941,3897.355064,8323.286703,12496.78781,10965.9484,8007.652027,6523.229959,5229.578518,2219.011824,39.52777778,48.58333333,83.5,103,84.33333333,64.5,54,37,12,48.76541633,56.15943233,34.5267193,17.87063313,16.13029263,17.57466208,13.48105236,4.713072,1.016064,161.8947969,217.6633782,156.4268781,103.8917455,92.15812463,98.64187085,89.81753955,58.96803508,31.08374443,6.992481333,7.258593333,7.122023852,6.982946842,6.929083877,6.953288333,6.944851897,6.85152,6.718464,1.226041937,1.671996207,1.299919178,0.964153904,0.871932739,0.918691582,0.873570327,0.66759004,0.444612905,165.54322,144.3464838,154.134939,164.4314186,168.7068984,166.8260839,167.2623067,174.3192839,184.917652,1.46399177,1.799382716,1.546296296,1.355263158,1.297435897,1.34375,1.384615385,1.233333333,1,0.037072334,-0.001625875,-0.01392983,-0.012247638,0.006577495,0.001818834,-0.005133968,-0.001256957,0.007261773,726.396054,7.32E-13,-242.132018,-269.0355756,107.6142302,-3.30E-13,-121.066009,-5.01E-13,161.4213453,1350.764481,-5.26E-13,-450.2548269,-500.283141,200.1132564,-2.20E-13,-225.1274134,6.39E-14,300.1698846,0.142296,2.04E-15,-0.047432,-0.052702222,0.021080889,-4.45E-16,-0.023716,-1.12E-15,0.031621333,6.038545709,1.67E-14,-2.01284857,-2.236498411,0.894599364,-3.55E-15,-1.006424285,-9.33E-15,1.341899046,32.80147613,-2.00E-13,-10.93382538,-12.14869486,4.859477945,4.35E-14,-5.466912688,1.11E-13,7.289216918,1.995884774,-0.345679012,-0.602880658,-0.432860844,0.194063405,0.35299497,-0.256401463,-0.291723823,0.384545039,0.001373049,-6.02E-05,-2.58E-04,-1.61E-04,1.01E-04,3.79E-05,-1.32E-04,-4.19E-05,6.05E-04,26.90355756,2.71E-14,-4.483926259,-3.539941784,1.655603542,-6.88E-15,-3.104256641,-1.67E-14,13.45177878,50.0283141,-1.95E-14,-8.33805235,-6.582672908,3.078665483,-4.59E-15,-5.77249778,2.13E-15,25.01415705,0.005270222,7.55E-17,-8.78E-04,-6.93E-04,3.24E-04,-9.27E-18,-6.08E-04,-3.75E-17,0.002635111,0.223649841,6.19E-16,-0.037274974,-0.029427611,0.013763067,-7.40E-17,-0.025805751,-3.11E-16,0.111824921,1.214869486,-7.40E-15,-0.202478248,-0.159851248,0.074761199,9.07E-16,-0.140177248,3.70E-15,0.607434743,0.073921658,-0.012802926,-0.011164457,-0.005695537,0.002985591,0.007354062,-0.006574396,-0.009724127,0.03204542,-0.043856837,-0.187873656,-0.11736878,0.073698895,0.027597245,-0.095874342,-0.03051497,0.440732651,1.01E-15,-0.166666667,-0.131578947,0.061538462,-2.56E-16,-0.115384615,-6.21E-16,0.5,-3.89E-16,-0.166666667,-0.131578947,0.061538462,-9.17E-17,-0.115384615,4.26E-17,0.5,1.43E-14,-0.166666667,-0.131578947,0.061538462,-1.76E-15,-0.115384615,-7.12E-15,0.5,2.77E-15,-0.166666667,-0.131578947,0.061538462,-3.31E-16,-0.115384615,-1.39E-15,0.5,-6.09E-15,-0.166666667,-0.131578947,0.061538462,7.46E-16,-0.115384615,3.05E-15,0.5,-0.173195876,-0.151030928,-0.077048291,0.04038858,0.099484536,-0.088937351,-0.131546392,0.433505155,1.489732056,1.335583277,1.042506351,0.792140882,0.89143286,1.058751384,0.793493797,0.004266865,1.444444444,1.364197531,1.083333333,0.8,0.902777778,1,0.722222222,0,1.444444444,1.364197531,1.083333333,0.8,0.902777778,1,0.722222222,0,1.444444444,1.364197531,1.083333333,0.8,0.902777778,1,0.722222222,0,1.444444444,1.364197531,1.083333333,0.8,0.902777778,1,0.722222222,0,1.444444444,1.364197531,1.083333333,0.8,0.902777778,1,0.722222222,0,1.675257732,1.145876289,0.895116658,0.768247423,0.791559278,1.336082474,1.194123711,0,45.56524589,22.78262294,35.72395513,45.56524589,5.062805099,22.78262295,1.42E-14,0.171643273,0.019071475,-1.586103258,41.71026418,4.634473798,3.357672518,45.56524589,22.78262294,35.72395513,45.56524589,5.062805099,22.78262295,1.42E-14,0.171643273,0.019071475,-1.586103258,41.71026418,4.634473798,3.357672518,45.56524589,22.78262294,35.72395513,45.56524589,5.062805099,22.78262295,1.42E-14,0.171643273,0.019071475,-1.586103258,41.71026418,4.634473798,3.357672518,45.56524589,22.78262294,35.72395513,45.56524589,5.062805099,22.78262295,1.42E-14,0.171643273,0.019071475,-1.586103258,41.71026418,4.634473798,3.357672518,45.56524589,22.78262294,35.72395513,45.56524589,5.062805099,22.78262295,1.42E-14,0.171643273,0.019071475,-1.586103258,41.71026418,4.634473798,3.357672518,45.56524589,22.78262294,35.72395513,45.56524589,5.062805099,22.78262295,1.42E-14,0.171643273,0.019071475,-1.586103258,41.71026418,4.634473798,3.357672518,49.19280152,24.54933286,38.79070061,49.11958479,5.457731643,24.54933286,-0.094135802,0.124667785,0.013851976,-1.873892519,38.95027515,4.32780835,3.296057253,0,11.9,12.1001487,-0.151266796,0.048897627,5.193495981,8.548818489,9,27,27,27,9,0,0,0,0,0,19.677726,3.660863672,3.285381105,2.76948047,2.459820995,2.263996146,1.735943527,1.257963203,1.19006016,1.896836388,1.724171079,1.665216142,1.293014981,0.888429861,0.757863935,0.633562799,0.560790128,3.684671296,3.319368665,2.8140429,2.510897621,2.32208987,1.821844876,1.372080091,1.30885592,1.83861344,1.655976007,1.592730563,1.19369725,0.761659068,0.62194973,0.488824221,0.407093666,3.789285398,3.467814757,3.009774687,2.734801489,2.573655847,2.178550892,1.826542856,1.778468089,1.669197461,1.452583651,1.37475354,0.882667505,0.348325709,0.172849073,0.003446808,0.120265824,3.702202562,3.344363718,2.846915285,2.548571849,2.364778502,1.884136477,1.453640313,1.39352899,1.801696726,1.612285733,1.546125468,1.128766247,0.677488076,0.531260614,0.391745447,0.303228991,3.840274167,3.539319073,3.103899217,2.841861735,2.69211622,2.338161778,2.021060612,1.978039144,1.616965201,1.38842831,1.305525168,0.780134221,0.206238368,0.016182923,0.169000196,0.313725571,3.703393347,3.434714538,2.956062727,2.613065204,2.460867619,2.023789332,1.616924043,1.559160296,1.763820377,1.550688261,1.444640639,0.967439832,0.505353253,0.368525191,0.215875255,0.107368995,0,0,0,0,0,1,7,1,0,0,0,0.144337567,0.102062073,0.072168784,0,0,0.144337567,0.102062073,0.072168784,0.204124145,0,0,0,0.204124145,0,0,0,0.433012702,0.612372436,0.390737207,0.433012702,0.612372436,0.390737207,6.527097737,4.431851653,3.292710979,2.440670698,1.791837386,0.90104757,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.221879154,0.149319782,0.112630946,0.082133213,0.06159991,6.527097737,4.431851653,3.292710979,2.440670698,1.791837386,0.90104757,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.221879154,0.149319782,0.112630946,0.082133213,0.06159991,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.3668,41.483,34.48494613,51.83729427,68.96989226,7.663321362,34.48494613,0.147136647,0.016348516,-1.7247542,45.42740457,5.047489396,3.434503993,86,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,1,0,7,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,2.286658163,0,10.43098073,0,0,0,1.115694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.286658163,0,1.385416667,0,0,0,1.115694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.286658163,0,1.527777778,0,0,0,1.115694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.83333333,1.537037037,0.2,2.286658163,0.2,1.115694444,6.489739175,0.217638889,0.286658163,0.738518519,0.217638889,0.286658163,0.738518519,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.11111,0.11111,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,9.2991,1.03323,9.2991,0,0,4.43185,0.49243,4.43185,0,0,-0.01785,-0.00198,0.06815,0.00757,0.185185185,9,0,0,0,0,0,0,1,0.918295834,1.247104744,2.252382635,2.911389817,2.976516671,3.306020262,24.79398752,33.67182808,60.81433114,78.60752505,80.36595013,89.26254708,0.193126721,0.262278496,0.473698407,0.612294153,0.625990977,0.69528885,3.836591668,3.507782759,2.502504867,1.843497686,1.778370831,1.44886724,0.193126721,0.262278496,0.473698407,0.612294153,0.625990977,0.69528885,6.73287657,10.67858349,15.82059603,15.47094556,17.67195961,17.18980639,35.54887502,30.33929922,23.96075827,25.1026477,21.88005118,21.73923557,7.111111111,3.92,2.380165289,4,0,4,2.45,1.2681,0,2.05068489,0.25,0,9.206272384,4.445544946,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,4.393,10,11,12,8,6,4,2,0,0,71,2.302585093,2.397895273,2.48490665,2.564949357,2.197224577,1.945910149,1.609437912,1.098612289,0,0,4.276666119,1,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,4,0.444444444,1,3,6,1,1,0.444444444,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0.111111111,0.044444444,0.037037037,0.025,0.02,0.027777778,0,0,0,0,0.26537037,22.78262294,35.72395513,45.56524589,5.062805099,22.78262295,0.171643273,0.019071475,-1.586103258,41.71026418,4.634473798,3.357672518,0,151.8638616,4.169925001,3.663561646,4.394449155,5.153291594,5.910796644,6.680854679,7.44716836,8.22067217,8.990566138,9.765316843,78.22667723,2.944438979,0,4.077537444,2.397895273,5.379897354,4.442651256,6.765038977,6.259581464,8.199464198,8.59822003,126.1408506,4.671883355,17.59254002,1.954726668,0,0,0,99,6,5.06,38,1.322351022,2.339635292,3.131560841,3.899407842,5.108606317,6.204524914,7.350130683,8.5441834,0,0,92.70728943,91.60856492,65.81762093,78.60548222,107.1564182,97.95277358,37.67621489,8.681437162,0,0,330.9230363,396.8289066,353.0425859,410.466677,557.9420492,608.9970915,456.3103074,265.5852132,0,0,9.657429115,16.7325229,21.9284977,27.16032195,35.66176715,43.25048942,50.46878031,57.40378858,0,0,2.444790845,3.229362156,3.187004664,3.730956711,5.03633097,5.768836123,5.08989461,3.798854201,0,0,187.2021646,355.6203245,510.5686797,647.3462646,841.908539,1025.561239,1272.570332,1579.970333,0,0,2.468202308,3.713067505,4.332502147,5.266672173,7.096899568,8.879834499,9.259412805,8.5441834,0,0,0.50452745,0.678666024,0.682869397,0.80133006,1.079985995,1.245703869,1.12742693,0.87492438,0,0,367.7790525,172.572938,9.485025799,53.87153995,-25.27813876,-2.927528984,313.9075125,197.8510768,12.41255478,0.872236537,0.409279487,0.02249499,0.127763463,-0.059950441,-0.006943021,155.0742554,72.76548154,3.999366747,22.71496673,-10.65854219,-1.23439433,0.06367742,0.138878209,0.774771225,1.253481796,421.6505924,0,1,0,464.5052698,21.55238432,7.744562373,638.8719193,25.2759158,8.612672499,766.0295146,27.6772382,9.14987514,1.789025819,1.789025819,1010.886721,959.6387104,121.344931,1.053403442,8.330687667,7.908354326,4.941179934,5.645455692,10.04009543,0.778438442,5.020209962,5.389929832,2.76154237,20.3162964,12.46544722,7.474705367,9.813123492,20.50813935,5.142177285,5.1814266,5.199423946,4.833497145,3.535245578,3.953551085,2.845428925,1.096576765,1.470203792,0.60593907,1.659813897,6.52E-10,9.62E-41,2.74E-93,1.51E-167,1.59E-263,0,0,0,0,0,0,0.421311435,5.389574021,0.788237171,6.362507002,0.742116104,1.868276427,0.675948931,0.867523261,1.16678651,1.277410726,1.22679591,0.128201386,0.333972703,0.118411315,0.107668277,0.387178404,0.107265275,0.018043126,0.011690205,4.59E-12,6.78E-43,1.93E-95,1.06E-169,1.12E-265,0,0,0,0,0,0,1.360044669,5.389598506,1.115945319,8.045485435,1.890723634,2.484340247,1.995923126,2.983956524,1.752067267,1.948419892,1.841053622,0.594636361,0.713420988,0.522714493,0.433970703,0.437261365,0.356886481,0.079864289,0.121820949,4.78E-11,7.06E-42,2.01E-94,1.10E-168,1.17E-264,0,0,0,0,0,0,4.738668689,5.389891018,2.614175273,19.04981531,11.30753489,6.944578912,9.060907547,18.63620326,4.818791276,4.897892061,4.886657658,4.370675742,3.242333908,3.584854986,2.595562747,1.019638977,1.376653741,0.549366015,1.478864299,5.81E-10,8.58E-41,2.44E-93,1.34E-167,1.42E-263,0,0,0,0,0,0,2.004455605,5.389629609,1.363201132,9.546795339,3.048687178,3.064120222,3.063900828,4.998784179,2.221002054,2.446424126,2.321108879,1.061512986,1.05525654,0.912649525,0.727010918,0.499766186,0.536730676,0.139577703,0.26461138,1.04E-10,1.53E-41,4.37E-94,2.40E-168,2.54E-264,0,0,0,0,0,0,6.062630571,5.390092881,3.337336428,25.47357352,17.25251033,9.649741486,12.8172012,28.1993017,6.430381637,6.281791805,6.436442395,6.745550792,4.729824696,5.470713345,3.863973733,1.419489636,1.828058863,0.838773497,2.420682576,9.51E-10,1.40E-40,4.00E-93,2.20E-167,2.33E-263,0,0,0,0,0,0,3.344863365,5.239658369,1.825609081,12.9668544,6.120821978,4.339391448,5.452990317,10.12299901,3.466671265,3.592858245,3.449083658,2.302846612,2.032450384,1.930610216,1.445659931,0.794902352,0.889120595,0.332328439,0.702571828,2.76E-10,4.07E-41,1.16E-93,6.37E-168,6.75E-264,0,0,0,0,0,0,8.37896046,1.182322505,0.763254676,0.811557936,0.114515782,0.532385249,0.359793172,0.436516033,10.32453764,17.20432745,35.09014944,0.717336904,1.328694454,7.353750306,0.684575725,0.277766893,0.884279478,0.082319393,0.410324378,0.120585121,0.057996576,8.316092924,7.266979792,16.98140651,0.826419216,0.588906075,7.760887043,0.882257644,0.470637287,0.851555048,0.096804778,0.456896963,0.200301244,0.166313692,9.113781974,10.91488808,23.25117152,0.777332571,0.8235119,8.353574942,1.169999007,0.751240259,0.813014695,0.113870575,0.529171121,0.352328547,0.422920605,10.27481421,16.92816654,34.54535843,0.719522043,1.304420273,7.94238367,0.970375593,0.556585552,0.838746906,0.102475473,0.478465414,0.242323488,0.232474017,9.469344815,12.6678083,26.42681099,0.75812036,0.953262919,8.458437012,1.220904306,0.800867113,0.807086717,0.116496186,0.542510958,0.383669747,0.480458341,10.48020843,18.07880831,36.82952511,0.710630075,1.406639047,8.379977737,1.172321793,0.753811581,0.813107645,0.11375016,0.532501013,0.353762673,0.425758023,10.30611111,17.02466453,34.73624362,0.719661468,1.312021709 +UMLRON0195,L,n-butylcyclopentane,CCCCC1CCCC1,16269,,"Sandia, UML",[3],C9H18,PubChem,,3,0,-0.352,0.123904,30.7917,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1670.734305,1161.411389,851.712292,525.761042,141.39216,12.192768,0,3885.475125,5223.921076,7533.504307,6888.974309,4983.479756,3502.884042,1769.041052,373.0049332,0,167.819552,174.20624,341.85978,467.81906,387.505552,270.849224,205.5456,80.621568,0,29.42500648,40.12790896,62.50794544,64.25416788,47.65409916,34.06924277,20.0277012,5.335354858,0,3973.037281,3464.315612,7399.084504,11017.83266,9486.993243,6523.229959,5229.578518,2219.011824,0,35.27777778,43.33333333,74.25,90.66666667,72.5,54,37,12,0,48.76541633,56.15943233,34.80696469,17.33449834,15.20914807,13.48105236,4.713072,1.016064,0,161.8947969,217.6633782,156.9480064,102.8205121,88.99070993,89.81753955,58.96803508,31.08374443,0,6.992481333,7.258593333,7.12207875,6.98237403,6.919742,6.944851897,6.85152,6.718464,0,1.226041937,1.671996207,1.302248863,0.959017431,0.850966056,0.873570327,0.66759004,0.444612905,0,165.54322,144.3464838,154.1475938,164.4452636,169.4105936,167.2623067,174.3192839,184.917652,0,1.469907407,1.805555556,1.546875,1.353233831,1.294642857,1.384615385,1.233333333,1,0,0.032888157,-0.001637627,-0.011866081,-0.01197559,0.008087382,-0.005059163,-0.001254792,0.007261791,0,645.6853813,6.47E-13,-201.7766817,-269.0355756,107.6142302,-121.066009,-5.01E-13,161.4213453,0,1200.679538,0,-375.2123557,-500.283141,200.1132564,-225.1274134,1.42E-13,300.1698846,0,0.126485333,2.94E-15,-0.039526667,-0.052702222,0.021080889,-0.023716,-1.83E-15,0.031621333,0,5.367596186,1.22E-14,-1.677373808,-2.236498411,0.894599364,-1.006424285,-7.13E-15,1.341899046,0,29.15686767,-1.14E-13,-9.111521147,-12.14869486,4.859477945,-5.466912688,6.99E-14,7.289216918,0,1.828703704,-0.347222222,-0.518518519,-0.514853395,0.617283951,-0.256365741,-0.28587963,0.391203704,0,0.00137034,-6.82E-05,-2.47E-04,-1.79E-04,1.44E-04,-1.30E-04,-4.18E-05,6.05E-04,0,26.90355756,2.69E-14,-4.203680868,-4.015456352,1.921682683,-3.104256641,-1.67E-14,13.45177878,0,50.0283141,0,-7.816924078,-7.466912552,3.573451007,-5.77249778,4.74E-15,25.01415705,0,0.005270222,1.22E-16,-8.23E-04,-7.87E-04,3.76E-04,-6.08E-04,-6.11E-17,0.002635111,0,0.223649841,5.07E-16,-0.034945288,-0.033380573,0.015974989,-0.025805751,-2.38E-16,0.111824921,0,1.214869486,-4.74E-15,-0.189823357,-0.181323804,0.086776392,-0.140177248,2.33E-15,0.607434743,0,0.076195988,-0.014467593,-0.010802469,-0.007684379,0.011022928,-0.006573481,-0.009529321,0.032600309,0,-0.049793812,-0.180400513,-0.130434897,0.105388115,-0.094664196,-0.030522641,0.441605224,0,1.00E-15,-0.15625,-0.149253731,0.071428571,-0.115384615,-6.21E-16,0.5,0,0,-0.15625,-0.149253731,0.071428571,-0.115384615,9.47E-17,0.5,0,2.32E-14,-0.15625,-0.149253731,0.071428571,-0.115384615,-1.16E-14,0.5,0,2.26E-15,-0.15625,-0.149253731,0.071428571,-0.115384615,-1.06E-15,0.5,0,-3.90E-15,-0.15625,-0.149253731,0.071428571,-0.115384615,1.92E-15,0.5,0,-0.189873418,-0.141772152,-0.100850179,0.144665461,-0.086270691,-0.125063291,0.427848101,0,1.488605628,1.315803524,1.046096484,0.752117971,1.054393045,0.791181367,0.004254605,0,1.4375,1.34765625,1.094216418,0.770089286,0.995192308,0.71875,0,0,1.4375,1.34765625,1.094216418,0.770089286,0.995192308,0.71875,0,0,1.4375,1.34765625,1.094216418,0.770089286,0.995192308,0.71875,0,0,1.4375,1.34765625,1.094216418,0.770089286,0.995192308,0.71875,0,0,1.4375,1.34765625,1.094216418,0.770089286,0.995192308,0.71875,0,0,1.688607595,1.113607595,0.902097109,0.655063291,1.289970789,1.152911392,0,0,34.64041819,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,3.55E-15,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,34.64041819,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,3.55E-15,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,34.64041819,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,3.55E-15,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,34.64041819,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,3.55E-15,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,34.64041819,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,3.55E-15,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,34.64041819,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,3.55E-15,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,37.71871477,18.81248238,29.35679057,37.64840227,4.706050283,18.8124824,-0.09375,0.119028274,0.014878534,-1.702715376,42.34760396,5.293450495,2.996729474,0,11.9,12.10012615,-0.151266825,0.048875396,5.259996263,8.391630245,8,24,24,24,8,0,0,0,0,0,17.491312,3.6567187,3.180951317,2.573024244,2.459820995,2.005678821,1.381928873,1.19006016,0.894438791,1.877259681,1.724171079,1.580445998,1.113224603,0.757863935,0.694816327,0.581995608,0.341460107,3.6806131,3.217776079,2.62142375,2.510897621,2.077203467,1.488518974,1.30885592,1.024518777,1.818620119,1.655976007,1.501159025,1.000668144,0.62194973,0.5547587,0.430761689,0.178603058,3.785626259,3.37852753,2.834266703,2.734801489,2.37973263,1.91761404,1.778468089,1.532127056,1.648286645,1.452583651,1.259608887,0.640589985,0.172849073,0.089316143,0.085436307,0.387981694,3.698209366,3.244859416,2.657155352,2.548571849,2.12937023,1.56499256,1.39352899,1.116809137,1.781464012,1.612285733,1.449902772,0.926476281,0.531260614,0.46111033,0.328739698,0.068039495,3.83681691,3.455783686,2.936493816,2.841861735,2.518216663,2.103320642,1.978039144,1.744985306,1.595874611,1.38842831,1.181990323,0.51921808,0.016182923,0.074111228,0.273467612,0.59975609,3.699262192,3.355402744,2.759134657,2.610468539,2.248749545,1.721877924,1.556921198,1.279604153,1.744507878,1.553333565,1.321993874,0.749890553,0.370812929,0.289136276,0.140230216,0.127673528,0,0,0,0,0,1,6,1,0,0,0,0.144337567,0.102062073,0.072168784,0,0,0.144337567,0.102062073,0.072168784,0.204124145,0,0,0,0.204124145,0,0,0,0.433012702,0.65464793,0.348461713,0.433012702,0.65464793,0.348461713,5.819990956,3.931851653,2.939157589,2.171668296,1.707286396,0.696923425,0.348461713,0.144337567,0.72749887,0.491481457,0.326573065,0.21716683,0.155207854,0.116153904,0.087115428,0.072168784,5.819990956,3.931851653,2.939157589,2.171668296,1.707286396,0.696923425,0.348461713,0.144337567,0.72749887,0.491481457,0.326573065,0.21716683,0.155207854,0.116153904,0.087115428,0.072168784,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.9767,36.866,28.3399353,42.00992493,56.67987059,7.084983824,28.3399353,0.132422925,0.016552866,-1.6174036,28.94593476,3.618241845,2.692343817,64,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,1,0,6,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,2.29,0,8.932222222,0,0,0,1.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.29,0,1.393518519,0,0,0,1.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.29,0,1.521666667,0,0,0,1.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.33333333,1.541666667,0.2,2.29,0.2,1.111111111,5.766833333,0.222222222,0.29,0.685185185,0.222222222,0.29,0.685185185,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.125,0.125,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,7.89328,0.98666,7.89328,0,0,3.93185,0.49148,3.93185,0,0,-0.01785,-0.00223,0.06815,0.00852,0.208333333,8,0,0,0,0,0,0,1,0.918295834,1.272055209,2.312907292,3.04248125,3.153107168,3.022055209,22.03910002,30.52932501,55.509775,73.01955001,75.67457204,72.52932501,0.200284263,0.277440701,0.504455007,0.663578219,0.687706207,0.659123212,3.666666667,3.312907292,2.272055209,1.54248125,1.431855332,1.562907292,0.200284263,0.277440701,0.504455007,0.663578219,0.687706207,0.659123212,6.73287657,10.97798907,16.03678815,16.77207105,17.2293066,15.8354706,31.59900002,26.53208126,21.08972448,20.41052656,19.44799209,21.55213073,6.125,3.111111111,1.8,3,0,3,2.34,1.1272,0,1.969259364,0.333333333,0,7.383136998,4.242640687,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,3.894,9,10,11,6,4,2,0,0,0,58,2.197224577,2.302585093,2.397895273,2.48490665,1.945910149,1.609437912,1.098612289,0,0,0,4.077537444,1,0.4,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,3,0.375,0,3,5,0.666666667,1,0.444444444,0.222222222,0.125,0.08,0,0,0,0,0,0.125,0.049382716,0.044444444,0.03125,0.04,0,0,0,0,0,0.29007716,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,0,134.567877,4,3.555348061,4.290459441,5.056245805,5.814130532,6.588926478,7.353081921,8.129469765,8.896040502,9.672374832,75.35607734,2.833213344,0,3.970291914,2.397895273,5.283203729,4.442651256,6.680854679,6.259581464,8.12474302,8.529319371,112.1252005,4.671883355,15.59010547,1.948763183,0,0,0,67,5,4.491,34,1.331436567,2.361972638,3.165652896,3.943421758,5.142612316,6.137942022,7.4569142,0,0,0,94.01800751,93.36179794,64.26725449,74.65076459,81.97005862,32.24280659,7.576702069,0,0,0,334.770918,402.6088497,352.3931561,398.7867445,505.0250124,386.9397135,231.7888152,0,0,0,9.725938808,16.89469797,22.16503274,27.41990316,35.84073351,42.17351277,50.0990096,0,0,0,2.47012952,3.270768803,3.200316594,3.665936772,4.777052743,4.297520496,3.315440283,0,0,0,188.3541604,358.8720753,516.1668496,658.1796565,850.6830486,1060.460576,1378.915065,0,0,0,2.494821346,3.752098019,4.370305691,5.319763673,7.354286824,7.782652891,7.4569142,0,0,0,0.509638069,0.687171677,0.686310181,0.788987414,1.031405456,0.951170135,0.763588014,0,0,0,336.1887675,139.9999529,8.653614775,52.92808041,-22.04097661,-2.878615351,283.2606871,162.0409295,11.53223013,0.863978955,0.359788978,0.022239116,0.136021045,-0.056643594,-0.007397817,130.8167135,54.47634038,3.367267305,20.59520782,-8.576515346,-1.120117732,0.071750613,0.156469216,0.872998791,1.441778533,389.116848,0,1,0,402.4237007,20.06050101,7.38291469,557.416278,23.60966493,8.229874559,652.7942547,25.54983864,8.674786092,1.615042933,1.615042933,688.1689553,637.2749632,114.2638666,1.079861904,6.022629688,5.577222111,4.545588214,4.466158665,8.815689176,0.973886249,4.462408855,4.441412524,2.465209864,15.34341864,10.49059757,7.474689727,9.018920009,17.00311868,4.758239052,3.87035923,5.589008986,1.851278374,4.303351157,1.089208272,1.375191484,0.008931927,0.033811293,4.60E-21,1.22E-61,6.24E-124,6.15E-208,1.16961470666E-313,0,0,0,0,0,0,0,0,0.374499053,4.441098819,0.766120239,5.349114402,0.72804976,1.868260915,0.553390636,0.834521502,0.261866085,1.176272704,1.234939164,0.093433362,0.28497845,0.018268677,0.028956736,6.31E-05,2.38E-04,3.24E-23,8.59E-64,4.39E-126,4.33E-210,8.23769204E-316,0,0,0,0,0,0,0,0,1.208928595,4.441120411,1.042735662,6.764280481,1.745376666,2.484324726,1.736267949,2.705343424,0.924697607,1.616232664,1.918440476,0.342422176,0.67347602,0.107166327,0.150442586,6.56E-04,0.002481558,3.38E-22,8.95E-63,4.58E-125,4.51E-209,8.584310207E-315,0,0,0,0,0,0,0,0,4.212149946,4.441378305,2.336356614,14.51051106,9.547871083,6.944563286,8.307821779,15.50756716,4.392772944,3.666528788,5.249842766,1.704811976,3.904614668,0.977761155,1.238540184,0.007958314,0.030125254,4.10E-21,1.09E-61,5.56E-124,5.48E-208,1.0421056464E-313,0,0,0,0,0,0,0,0,1.781738316,4.441147835,1.253468794,7.921288768,2.733361262,3.064104689,2.710132874,4.4140621,1.455417743,1.950900943,2.4485878,0.545954456,1.068359362,0.206703565,0.279359537,0.001424527,0.005390275,7.33E-22,1.94E-62,9.94E-125,9.80E-209,1.864626886E-314,0,0,0,0,0,0,0,0,5.389004952,4.44155627,2.970495092,18.67830142,14.37289084,9.649725787,11.87075724,23.11468168,6.213812437,4.669220088,6.927235656,2.43769149,5.953111562,1.553945712,1.942730392,0.013025772,0.049310594,6.71E-21,1.78E-61,9.09E-124,8.97E-208,1.7057731274E-313,0,0,0,0,0,0,0,0,2.972766162,4.31031944,1.635171322,10.27421475,5.252776752,4.313352886,4.980177525,8.653044657,2.613162818,3.043079569,3.827436407,1.00451472,2.164980679,0.511521193,0.660689846,0.003759079,0.014225935,1.94E-21,5.13E-62,2.62E-124,2.59E-208,4.9210962093E-314,0,0,0,0,0,0,0,0,6.371214618,1.237775652,0.768264571,0.760537281,0.147754327,0.517956011,0.361318013,0.429348092,8.377254841,13.73185197,28.16774442,0.640805921,1.308622116,5.418923789,0.736701306,0.282806567,0.841652762,0.114422478,0.374545881,0.128376632,0.058320369,6.438431662,5.732979431,13.30041117,0.762479143,0.561242881,5.79705776,0.935747749,0.475663788,0.804200937,0.129812268,0.428699727,0.206869095,0.164832625,7.208469297,8.62713552,18.41588287,0.706301405,0.800401447,6.34763043,1.225373885,0.756250726,0.762088614,0.147116865,0.514122655,0.354139247,0.41605171,8.329255042,13.50531058,27.71685057,0.643132921,1.284313612,5.965645104,1.024455006,0.561606655,0.789973087,0.135658738,0.454028306,0.247818511,0.229678506,7.551706765,10.03722173,21.02120722,0.68495963,0.931525324,6.445052843,1.276601267,0.805875287,0.755793682,0.149703532,0.530050203,0.384254855,0.472319919,8.527529397,14.45045285,29.60853281,0.633690523,1.386624977,6.369840912,1.22743943,0.758809276,0.762299258,0.146891607,0.517739716,0.355326386,0.418748051,8.356089618,13.58348069,27.87239189,0.643448886,1.291814152 +UMLRON0196,L,n-Propylcyclopentane,CCCC1CCCC1,16270,,"Sandia, UML",[1],C8H16,PubChem,,31.2,0,2.4289,5.89955521,53.7109,30.028688,6,6,27,11,16,0,11,0,0,0,0,0,0,0,0,0,1603.162355,1780.618739,2452.585479,2502.034766,1856.490561,1133.218637,396.652201,62.653248,3.048192,5156.02583,6494.471781,9302.533147,10714.80211,9637.156847,6793.434416,3287.35499,894.1188875,93.25123329,190.4411,196.827788,343.997916,450.339512,549.002052,500.213876,290.581732,122.529024,20.155392,37.79170648,48.49460896,71.89114818,86.91895714,85.21137226,64.47043818,33.7277258,10.67875791,1.333838715,4353.420349,3844.69868,7272.910459,9596.076866,12501.4826,12037.80623,7104.311107,3201.337319,554.7529561,54.59027778,65.625,97.16666667,127.5833333,141.6666667,115.25,63.5,22,3,59.37638352,65.94884219,51.09553081,39.71483756,23.80116104,15.73914774,9.444100024,3.480736,1.016064,190.9639196,240.5359919,193.8027739,170.0762239,123.5532929,94.35325577,78.27035691,49.67327153,31.08374443,7.053374074,7.289918074,7.16662325,7.148246222,7.038487846,6.947414944,6.918612667,6.807168,6.718464,1.399692833,1.796096628,1.497732254,1.379665986,1.092453491,0.895422753,0.80304109,0.593264328,0.444612905,161.2377907,142.3962474,151.5189679,152.3186804,160.275418,167.1917532,169.1502645,177.8520733,184.917652,2.02186214,2.430555556,2.024305556,2.025132275,1.816239316,1.600694444,1.511904762,1.222222222,1,0.058127274,-0.008957846,-0.001978305,-0.007391862,-0.025195266,-7.46E-04,-0.001508043,0.012451587,0.004261996,789.1710216,-9.17E-13,166.4034856,-343.7676799,-401.0622932,29.89284173,-70.74639209,164.4106295,60.28389749,1467.497214,3.69E-13,309.4343872,-639.2506801,-745.7924602,55.58701566,-131.5559371,305.7285862,112.1004816,0.154593185,1.50E-15,0.0325973,-0.067341728,-0.07856535,0.005855802,-0.013858733,0.032206914,0.011809202,6.560395338,1.65E-14,1.383315684,-2.857747969,-3.334039298,0.248499823,-0.588116249,1.366749029,0.501141311,35.6361716,-1.87E-13,7.514192749,-15.52333233,-18.11055438,1.349854985,-3.194656797,7.424202416,2.722207553,5.472736626,-1.251286008,1.841420896,-0.249657064,-2.938471651,-0.256772977,-1.04092364,0.794410151,0.36491198,0.002152862,-3.32E-04,-4.12E-05,-1.17E-04,-3.23E-04,-1.04E-05,-3.59E-05,6.92E-04,0.001420665,29.22855636,-3.39E-14,3.466739284,-5.456629839,-5.141824272,0.415178357,-1.684437907,9.133923861,20.0946325,54.35174865,1.37E-14,6.446549733,-10.14683619,-9.561441797,0.772041884,-3.132284216,16.98492145,37.3668272,0.005725674,5.57E-17,6.79E-04,-0.001068916,-0.001007248,8.13E-05,-3.30E-04,0.001789273,0.003936401,0.242977605,6.11E-16,0.028819077,-0.045361079,-0.042744094,0.003451386,-0.014002768,0.075930502,0.167047104,1.319858207,-6.91E-15,0.156545682,-0.2464021,-0.232186595,0.018747986,-0.076063257,0.41245569,0.907402518,0.202693949,-0.046343926,0.038362935,-0.003962811,-0.037672713,-0.003566291,-0.024783896,0.044133897,0.121637327,-0.154107454,-0.019144135,-0.054500073,-0.150040379,-0.004812061,-0.01667816,0.321318699,0.659896117,-1.16E-15,0.118607955,-0.186688312,-0.175917832,0.014204545,-0.05762987,0.3125,0.6875,2.52E-16,0.118607955,-0.186688312,-0.175917832,0.014204545,-0.05762987,0.3125,0.6875,9.73E-15,0.118607955,-0.186688312,-0.175917832,0.014204545,-0.05762987,0.3125,0.6875,2.51E-15,0.118607955,-0.186688312,-0.175917832,0.014204545,-0.05762987,0.3125,0.6875,-5.23E-15,0.118607955,-0.186688312,-0.175917832,0.014204545,-0.05762987,0.3125,0.6875,-0.22863991,0.189265321,-0.01955071,-0.185860079,-0.017594464,-0.122272501,0.217736629,0.600103393,1.273672314,0.892891929,1.033258176,1.057954408,0.922178731,1.091966055,0.714954206,0.335902452,1.181818182,0.955610795,1.234577922,1.125,0.858664773,0.902191558,0.443181818,0,1.181818182,0.955610795,1.234577922,1.125,0.858664773,0.902191558,0.443181818,0,1.181818182,0.955610795,1.234577922,1.125,0.858664773,0.902191558,0.443181818,0,1.181818182,0.955610795,1.234577922,1.125,0.858664773,0.902191558,0.443181818,0,1.181818182,0.955610795,1.234577922,1.125,0.858664773,0.902191558,0.443181818,0,1.43697716,0.732349727,0.984256039,1.201875176,0.950576887,1.032172734,0.527869161,0,47.46025007,23.73012503,34.64935777,47.46025007,4.314568188,23.73012503,-7.11E-15,0.185599102,0.016872646,-1.852582929,49.51856236,4.501687487,4.292582356,47.46025007,23.73012503,34.64935777,47.46025007,4.314568188,23.73012503,-7.11E-15,0.185599102,0.016872646,-1.852582929,49.51856236,4.501687487,4.292582356,47.46025007,23.73012503,34.64935777,47.46025007,4.314568188,23.73012503,-7.11E-15,0.185599102,0.016872646,-1.852582929,49.51856236,4.501687487,4.292582356,47.46025007,23.73012503,34.64935777,47.46025007,4.314568188,23.73012503,-7.11E-15,0.185599102,0.016872646,-1.852582929,49.51856236,4.501687487,4.292582356,47.46025007,23.73012503,34.64935777,47.46025007,4.314568188,23.73012503,-7.11E-15,0.185599102,0.016872646,-1.852582929,49.51856236,4.501687487,4.292582356,47.46025007,23.73012503,34.64935777,47.46025007,4.314568188,23.73012503,-7.11E-15,0.185599102,0.016872646,-1.852582929,49.51856236,4.501687487,4.292582356,64.10361848,31.66465033,47.51056634,63.98539075,5.816853705,31.66465033,-0.26010101,0.365237409,0.033203401,-1.107928471,46.05612696,4.186920633,4.212846884,0,11.85,12.15012665,-0.209780503,0.090376681,5.916040257,10.16944288,11,27,24,21,5,3,0,0,0,6,17.491312,3.823355146,3.375554321,2.78399923,2.619181914,2.468681621,2.333552793,1.718396463,0.941428501,2.018324896,1.758401211,1.472226899,1.249629723,1.082250302,0.967816307,0.812829382,0.310513972,3.834711867,3.399775442,2.831867427,2.645815032,2.500839706,2.405454588,1.807422744,1.053336623,1.985196063,1.700549596,1.377852704,1.134540686,1.007167592,0.889438122,0.681656021,0.150156259,3.88703864,3.509853915,3.043396489,2.771820215,2.704236987,2.642714838,2.173160225,1.517793787,1.898031938,1.532432104,1.085148025,0.798620231,0.76031856,0.671502886,0.24078774,0.396843083,3.843194545,3.417825289,2.867324407,2.665925019,2.524480089,2.457539916,1.871732255,1.134811365,1.965116389,1.663771552,1.316352478,1.058262671,0.960278991,0.840798682,0.593410059,0.041902902,3.9142293,3.565219061,3.144700318,2.838982085,2.838078588,2.713365918,2.335011211,1.721464227,1.873368949,1.481460071,0.990042072,0.738564276,0.631337262,0.606472227,0.084719847,0.594311107,3.854780281,3.392387234,2.914495913,2.753765251,2.576916759,2.561037979,1.905191903,1.252975057,1.983237324,1.638459183,1.246890245,0.944711449,0.861393398,0.776110823,0.526344375,0.087306151,0,0,0,5,1,3,1,0,1,0,0,0,0.102062073,0.051031036,0,0,0,0.032075015,0.016037507,1.194814383,0.204124145,0.348461713,0.102062073,1.040440115,0.176776695,0.201184464,0.058925565,2.342261593,2.638227255,2.54129406,1.725847483,1.594268428,1.21860637,8.319990956,5.165831887,4.677068452,3.621574357,2.172738226,1.513420006,0.637136847,0.378355001,0.756362814,0.469621081,0.311804563,0.213033786,0.135796139,0.09458875,0.063713685,0.047294375,7.593858127,4.221343774,3.603462271,2.439146959,1.093461461,0.626348247,0.250511218,0.126114201,0.690350739,0.383758525,0.240230818,0.143479233,0.068341341,0.039146765,0.025051122,0.015764275,15.33462243,26.10269483,24.80392157,25.08,17.38843593,204.4541246,0.567948979,0.966766475,0.918663762,0.928888889,0.644016145,7.572374983,3.3742,49.759,45.93735134,66.50730663,91.87470267,8.352245698,45.93735134,0.321355996,0.029214181,-1.248726322,42.4755007,3.861409155,4.123820201,99,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,4,0,0,5,0,0,0,0,0,0,0,0,3,0,1,0,0,5,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.10125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.939620181,0,1.112532596,0,0,1.939620181,0,0,0,0,0,0,0,0,6.789351852,0,1.191481481,0,0,10.66837963,0,0,0,0,1.43287037,0,0.334583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.43287037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.365347222,0,0.25461593,0,0,0.365347222,0,0,0,0,0,0,0,0,2.229166667,0,1.191481481,0,0,2.064722222,0,0,0,0,1.43287037,0,0.334583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.197916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.414064626,0,0.285972222,0,0,0.414064626,0,0,0,0,0,0,0,0,2.280092593,0,1.191481481,0,0,2.197916667,0,0,0,0,1.43287037,0,0.334583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.41666667,1.856060606,0.414064626,2.280092593,0.088541667,0.334583333,7.065686574,0.915416667,0.280092593,2.915462963,0.915416667,0.280092593,2.915462963,5.5,0.5,0,0,0.46296,0.7,0.43333,0.43333,0.7,0.02963,0.02963,0,0,0.71429,0,0,0.27273,0.09091,0.09091,11.5,1.04545,5.5,0.5,6,0.54545,0.5,0.04545,0,0,8.97362,0.81578,14.18916,5.21554,0.47414,3.22494,0.29318,5.16583,1.94089,0.17644,0.24817,0.02256,0.33417,0.03038,0.222222222,11,0,0,0,0,0,0,0.454545455,0.975119065,2.309409122,2.869929984,3.531941206,3.70804815,3.60601528,26.32821475,62.3540463,77.48810957,95.36241255,100.1173001,97.36241255,0.20507721,0.485691643,0.603574739,0.742802265,0.779839302,0.758380777,3.779768437,2.44547838,1.884957518,1.222946297,1.046839352,1.148872223,0.198724436,0.470646141,0.584877516,0.719792124,0.755681847,0.734888054,6.784181073,16.95897493,20.62190039,23.22489021,23.4023752,22.17798075,41.99082118,31.0845179,24.80567955,20.19092316,19.66260233,21.60813288,9.090909091,3.6,2.214532872,5,6,4,2.67,1.4209,1.144714243,5.206595347,1.310370697,2.381101578,6.945629182,3.532775529,2.620741394,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.184,0.171,0.474,0.643,5.004,15,17,16,16,10,8,2,0,0,106,2.708050201,3.198673118,3.630985476,4.000491653,4.399835855,3.976170825,4.037553728,2.784239339,0,0,5.839187112,3.231132075,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.181818182,5,0.454545455,0,3,6,1,3,1.777777778,0.6875,0.248888889,0.215277778,0.04,0,0,0,0,0.272727273,0.118518519,0.049107143,0.027654321,0.043055556,0.04,0,0,0,0,0.551062811,28.09726362,41.0630079,56.19452724,5.108593385,28.09726362,0.018854296,0.001714027,-4.368115921,159.5976451,14.50887683,5.579921523,0,167.6464548,4.459431619,3.970291914,4.762173935,5.609471795,6.428105273,7.278628942,8.103796713,8.954286157,9.781828264,10.63183294,87.52041594,3.135494216,0,4.418840608,0,5.932245187,0,7.527793988,0,9.159362817,9.380251909,148.1252005,5.486118537,21.29089635,1.935536032,0,0,0,150,14,4.423,52,1.237974213,2.163249352,2.996076744,3.65194967,4.241103792,5.500929407,6.600510226,7.865256659,0,0,91.72403858,121.8928161,125.146011,98.95865252,79.79546925,56.21652387,23.86430541,7.991604142,0,0,321.3314287,449.823157,527.7134696,480.9431083,449.2634277,448.4155109,334.5791922,244.4816279,0,0,9.056988609,15.56496726,21.4601157,25.7528409,29.62375558,38.12214627,44.96280145,52.84244372,0,0,2.351319141,3.420916811,4.246098859,4.156889351,4.13335984,4.543741144,3.969505921,3.496994611,0,0,174.2745411,323.4419629,453.2022489,582.0964842,696.935799,925.5909477,1171.363969,1454.424794,0,0,3.077366593,4.546007195,6.181416598,6.786787719,7.220916251,8.489665135,8.147505759,7.865256659,0,0,0.484370495,0.710631071,0.890573703,0.88375344,0.888545494,0.991489678,0.888758833,0.805402282,0,0,288.2060448,165.8499511,10.89610034,81.01172616,-46.6186989,-4.81509226,207.1943187,212.46865,15.7111926,0.780585517,0.449192764,0.029511311,0.219414483,-0.126263421,-0.013041334,106.4107935,61.23474928,4.023033881,29.91096896,-17.21245209,-1.777817631,0.107821063,0.112070617,1.342880411,0.803579109,369.217771,0,1,0,788.965793,28.0885349,9.240299714,945.0199318,30.74117649,9.813267923,1466.21399,38.29117379,11.36054378,1.838256537,1.838256537,753.5915064,682.5722904,214.249477,1.104046439,3.517355174,3.185876111,4.509961412,4.443439901,7.963231373,0.792132121,4.870821309,5.850007349,5.0609346,24.16933425,4.942530351,12.40455725,9.697314072,9.871809738,7.716784062,6.31905985,6.517497839,4.113746098,1.732841839,1.271591476,1.718141754,4.99E-13,2.93E-47,3.44E-103,8.03E-181,3.70E-280,0,0,0,0,0,0,0,0,0,0,0.408883799,5.667968554,0.362378656,9.426094575,2.150774485,1.840209314,1.515635919,1.725259534,1.405626751,0.447878333,1.267375559,0.335844884,0.082700053,0.068488127,0.012101013,3.52E-15,2.06E-49,2.42E-105,5.65E-183,2.61E-282,0,0,0,0,0,0,0,0,0,0,1.319660212,5.680133241,1.210245826,11.43439424,2.448869426,3.36810934,2.74167513,3.068671354,2.108627131,1.459109013,2.221686638,0.751963763,0.308297376,0.246277366,0.126101884,3.67E-14,2.15E-48,2.52E-104,5.89E-182,2.72E-281,0,0,0,0,0,0,0,0,0,0,4.597664636,5.830021258,4.733950571,22.91260417,4.675480682,11.53546991,9.039359542,9.260064894,7.123380522,5.893404233,6.154574287,3.756867379,1.592471217,1.173956564,1.53083337,4.45E-13,2.61E-47,3.06E-103,7.15E-181,3.30E-280,0,0,0,0,0,0,0,0,0,0,1.944879714,5.695904948,1.825300095,13.11027924,2.734194007,4.603582025,3.715150073,4.085739527,2.764985132,2.208871511,2.91163516,1.143032471,0.496189888,0.3884523,0.273910142,7.96E-14,4.66E-48,5.48E-104,1.28E-181,5.91E-281,0,0,0,0,0,0,0,0,0,0,5.882197583,5.934046053,6.316278943,29.2245616,6.04045525,15.87485312,12.31177388,12.26514999,10.14896753,7.970265763,7.908377368,5.577714813,2.297250184,1.660319128,2.505748275,7.28E-13,4.27E-47,5.01E-103,1.17E-180,5.40E-280,0,0,0,0,0,0,0,0,0,0,2.746897132,4.325481954,2.455501136,14.15048186,3.111418971,6.265005426,5.230634409,5.158019058,3.671186171,3.161802138,3.907396874,1.753263241,0.76918057,0.593894646,0.498740557,1.45E-13,8.49E-48,9.98E-104,2.33E-181,1.08E-280,0,0,0,0,0,0,0,0,0,0,5.013839291,1.691990553,0.926413718,0.656928628,0.221689801,0.484990578,0.502048021,0.335601455,7.632243562,14.69574147,30.18709419,0.485392942,1.322640054,4.306874114,0.963078063,0.484003918,0.7485066,0.167376679,0.358198882,0.16289842,0.090879475,5.753956095,6.69853348,14.46006812,0.6227599,0.611976776,4.560854722,1.225042323,0.643117075,0.709417437,0.190549017,0.401537723,0.263472519,0.161043055,6.429014119,9.308249245,19.33051285,0.564126156,0.826053297,4.993361807,1.670891029,0.913618443,0.658939908,0.220496096,0.481047588,0.489635905,0.326345864,7.57787128,14.43194775,29.63246976,0.488409863,1.297029357,4.684655257,1.352699052,0.720597697,0.693206352,0.200164051,0.423561474,0.321166296,0.202466104,6.757952007,10.68743234,22.01176059,0.539809528,0.947193874,5.07911211,1.759239912,0.967192689,0.650705658,0.225383362,0.497666834,0.542635266,0.365965227,7.805544711,15.54938082,31.99715659,0.476058488,1.406267328,5.005875215,1.673315262,0.913355213,0.659314467,0.220389225,0.483476613,0.491151411,0.326224477,7.59254569,14.47688084,29.72006189,0.488971701,1.300852501 +UMLRON0197,L,tert-amylbenzene,CCC(C)(C)C1=CC=CC=C1,16295,,UML,[1],C11H16,PubChem,,100.7,0,0.202,0.040804,31.7974,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1637.551784,758.929586,162.729504,12.192768,0,0,3885.475125,5223.921076,7758.63172,8463.052758,6034.399303,2421.799685,373.0049332,0,0,167.819552,174.20624,341.883496,485.318816,499.74356,346.633344,80.621568,0,0,29.42500648,40.12790896,63.51436973,74.85198059,60.78223392,29.3645722,5.335354858,0,0,3973.037281,3464.315612,7404.551417,11086.11766,12053.2006,9112.84921,2219.011824,0,0,36.55555556,44.52777778,74.83333333,102.9166667,100.3333333,58,12,0,0,48.76541633,56.15943233,37.32917321,23.73263455,10.54068869,3.190774588,1.016064,0,0,161.8947969,217.6633782,161.6381608,122.6529385,83.81110144,47.48626834,31.08374443,0,0,6.992481333,7.258593333,7.122572833,7.033606029,6.940882778,6.796732235,6.718464,0,0,1.226041937,1.671996207,1.323216036,1.084811313,0.844197693,0.575775925,0.444612905,0,0,165.54322,144.3464838,154.2614879,160.6683719,167.4055639,178.6833178,184.917652,0,0,1.523148148,1.855324074,1.559027778,1.491545894,1.393518519,1.137254902,1,0,0,0.032203389,-0.00310484,-0.004656838,-0.008608007,-0.018786557,0.011712848,0.0073417,0,0,645.6853813,6.61E-13,-80.71067267,-282.4873543,-403.5533633,282.4873543,161.4213453,0,0,1200.679538,0,-150.0849423,-525.297298,-750.4247115,525.297298,300.1698846,0,0,0.126485333,2.94E-15,-0.015810667,-0.055337333,-0.079053333,0.055337333,0.031621333,0,0,5.367596186,1.23E-14,-0.670949523,-2.348323331,-3.354747616,2.348323331,1.341899046,0,0,29.15686767,-1.14E-13,-3.644608459,-12.75612961,-18.22304229,12.75612961,7.289216918,0,0,2.314814815,-0.861111111,-0.018518519,0.293981481,-1.592592593,0.56712963,0.453703704,0,0,0.001341808,-1.29E-04,-9.70E-05,-1.25E-04,-2.61E-04,2.30E-04,6.12E-04,0,0,26.90355756,2.75E-14,-1.681472347,-4.094019628,-5.604907824,5.538967732,13.45177878,0,0,50.0283141,0,-3.126769631,-7.613004319,-10.42256544,10.29994702,25.01415705,0,0,0.005270222,1.22E-16,-3.29E-04,-8.02E-04,-0.001097963,0.001085046,0.002635111,0,0,0.223649841,5.11E-16,-0.013978115,-0.034033671,-0.046593717,0.046045556,0.111824921,0,0,1.214869486,-4.74E-15,-0.075929343,-0.184871444,-0.25309781,0.250120188,0.607434743,0,0,0.096450617,-0.03587963,-3.86E-04,0.004260601,-0.022119342,0.011120189,0.037808642,0,0,-0.096413462,-0.072303542,-0.092974359,-0.194457342,0.171159879,0.455958218,0,0,1.02E-15,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,0,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,2.32E-14,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,2.29E-15,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,-3.90E-15,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,-0.372,-0.004,0.044173913,-0.229333333,0.115294118,0.392,0,0,1.53434748,1.171936794,1.124488657,1.134752217,0.462469473,0.00373952,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.8975,0.8625,0.944,1.341666667,0.535764706,0,0,0,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,36.07402827,17.779571,24.920579,35.98375049,4.497968812,17.77957107,-0.180555556,0.008520244,0.001065031,-3.812248206,54.49313446,6.811641808,3.198459776,0,11.89,12.11011416,-0.161991078,0.059143413,6.149298971,8.44548837,8,24,24,24,8,0,0,0,0,0,17.491312,3.662568552,2.973800316,2.902915108,2.396031084,1.985393484,1.294917089,1.278176966,0.792390288,2.011212266,1.54022329,1.504387675,1.214685823,0.944510801,0.575155562,0.537874807,0.286758099,3.685758973,3.012007932,2.943626107,2.45799801,2.0604522,1.398197764,1.3877502,0.927978128,1.959396753,1.458846327,1.418464269,1.108835618,0.824247442,0.424099041,0.391206314,0.121362333,3.788142724,3.181205256,3.123867309,2.720080337,2.373479569,1.830041584,1.818711967,1.453306025,1.808680643,1.215027091,1.15985455,0.770046168,0.432297313,0.089676213,0.104383501,0.454358695,3.702862323,3.040251952,2.973724661,2.503161463,2.114921857,1.472638375,1.466485782,1.023904459,1.926561094,1.406557435,1.363143968,1.039081412,0.744462569,0.322298474,0.292586285,0.00904167,3.838313253,3.263640204,3.211539392,2.840509364,2.514780484,2.02143336,2.002311217,1.672222781,1.762127238,1.138255146,1.078139684,0.655480765,0.297024546,0.275653238,0.282281325,0.669501345,3.697560489,3.111926141,3.078965348,2.635037069,2.24090125,1.596068139,1.585467024,1.175105639,1.916863436,1.31336699,1.253825865,0.870102584,0.587742437,0.156504632,0.140887544,0.170893966,0,0,0,0,0,2,4,2,0,0,0,0,0.083333333,0.166666667,0,0,0,0.083333333,0.166666667,0.471404521,0,0.166666667,0,0.471404521,0,0.166666667,0,1.138071187,1.040440115,1.138071187,1.138071187,1.040440115,1.138071187,5.983127663,3.804530453,3.239024819,2.540336414,1.501661279,1.024377395,0.333333333,0.083333333,0.747890958,0.475566307,0.323902482,0.230939674,0.150166128,0.102437739,0.083333333,0.083333333,5.983127663,3.804530453,3.239024819,2.540336414,1.501661279,1.024377395,0.333333333,0.083333333,0.747890958,0.475566307,0.323902482,0.230939674,0.150166128,0.102437739,0.083333333,0.083333333,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,31.15378298,42.72358734,62.30756596,7.788445745,31.15378298,3.33E-16,4.16E-17,-28.51055062,41.24325189,5.155406487,2.975590007,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.757592593,0,5.90212963,0,0,0,2.006944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.378796296,0,1.47337963,0,0,0,1.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.378796296,0,1.477685185,0,0,0,1.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.378796296,0.2,1.003472222,5.75305787,0.329861111,0.378796296,1.515185185,0.329861111,0.378796296,1.515185185,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.47399,1.05925,8.47399,0,0,3.80452,0.47556,3.80452,0,0,0.10948,0.01369,0.19548,0.02444,0.25,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.522055209,2.688721876,2.284159128,2.284159128,22.03910002,34.03910002,60.52932501,64.52932501,54.81981907,54.81981907,0.200284263,0.309336409,0.550071066,0.586421781,0.498184909,0.498184909,3.666666667,3.166666667,2.062907292,1.896240625,2.300803373,2.300803373,0.200284263,0.309336409,0.550071066,0.586421781,0.498184909,0.498184909,6.73287657,12.73287657,15.67730206,14.01324374,13.60551527,13.60551527,31.59900002,23.74937501,22.16391042,24.55388542,25.09322045,25.09322045,6.125,2.52,1.487603306,0,0,0,2.34,1.1272,0.333333333,2.746356192,2.828427125,0,3.965406457,4.298279727,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,11,10,10,4,1,0,0,0,62,2.197224577,2.397895273,2.48490665,2.397895273,2.397895273,1.609437912,0.693147181,0,0,0,4.143134726,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,1.5,1.111111111,0.375,0.222222222,0,0,0,0,0,0,0.1875,0.111111111,0.046875,0.111111111,0,0,0,0,0,0,0.456597222,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,0,134.567877,4,3.610917913,4.369447852,5.153291594,5.932245187,6.717804695,7.501634458,8.287276756,9.072341874,9.857914707,76.50287504,2.833213344,0,4.043051268,0,5.476463552,0,7.00033446,0,8.555836815,8.796490207,112.1252005,4.671883355,15.53340973,1.941676217,0,0,0,60,8,4.43,36,1.224166127,2.094734878,2.813854178,3.496397331,4.289127608,5.173126425,0,0,0,0,78.54273178,86.40971975,73.29602737,40.50923001,14.36418292,5.256227528,0,0,0,0,289.3400736,361.0360131,364.9817505,309.7850726,208.7925072,160.8001397,0,0,0,0,8.917064339,14.96667722,19.84155555,24.3314836,29.17647278,34.75546366,0,0,0,0,2.17096299,2.90569308,3.177470147,3.073096038,2.510501321,2.300038767,0,0,0,0,174.752874,319.833565,448.426768,580.3820332,764.4503425,956.6023922,0,0,0,0,2.318653618,3.343180647,4.286947458,5.003882932,4.926127076,5.173126425,0,0,0,0,0.449298446,0.609701421,0.676241056,0.66790276,0.563347314,0.529728146,0,0,0,0,314.0667193,129.0714283,7.965781271,85.0686022,-34.96048868,-4.483545274,228.9981171,164.0319169,12.44932655,0.786867767,0.323377615,0.019957595,0.213132233,-0.087590566,-0.011233146,125.355121,51.51696601,3.179424668,33.95388389,-13.95396589,-1.789541284,0.072690831,0.151075692,0.768657499,1.168777185,399.1353215,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,951.9657456,30.85394214,9.83725148,1.172916589,1.045099943,357.2182754,212.6358272,199.117892,1.679953375,1.794003902,1.067889103,3.722902662,3.779648656,5.906129471,0.562613356,4.463031433,5.921819945,9.828480578,9.40995671,14.40496365,11.86691634,6.11316608,6.830983842,8.093884921,0.005426297,0.819679105,9.03E-16,1.92E-52,7.93E-111,6.33E-191,9.77E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375119025,5.573543104,0.715493259,4.033120893,0.872322458,2.242173947,1.516158473,0.203109987,0.213327658,3.82E-05,0.005773067,6.36E-18,1.35E-54,5.59E-113,4.46E-193,6.88E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.209548741,5.596816391,2.333232816,4.588566405,3.01815594,3.856243699,2.033398536,0.899577467,0.995666205,3.98E-04,0.060159809,6.62E-17,1.41E-53,5.82E-112,4.64E-192,7.17E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212772238,5.883582459,9.184831473,8.889020264,13.35841942,11.15368517,5.682766792,6.193009485,7.319142549,0.004834733,0.730319325,8.04E-16,1.71E-52,7.07E-111,5.64E-191,8.70E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.782358688,5.626990761,3.515738467,5.130817497,4.674245195,5.068336157,2.513503068,1.572586098,1.778048176,8.65E-04,0.130675144,1.44E-16,3.07E-53,1.26E-111,1.01E-191,1.56E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389628732,6.082603247,12.3089959,11.55649079,18.52746575,14.64849589,7.87588945,9.456784858,11.29429225,0.007913744,1.19542494,1.32E-15,2.81E-52,1.16E-110,9.23E-191,1.42E-292,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.967194044,5.276788689,5.726049812,6.223346311,7.542145705,8.165341041,4.147882013,3.45052873,3.978315626,0.002164507,0.32696341,3.60E-16,7.67E-53,3.16E-111,2.52E-191,3.90E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.277422687,2.223380044,0.704911056,0.43748519,0.427103781,0.522162411,0.578888149,0.405305054,5.205713787,8.236241762,17.01132637,0.296883458,1.506355614,1.659840868,1.532542713,0.243109024,0.48314494,0.446091111,0.277375432,0.276818133,0.048852061,3.435492605,3.319874283,7.373782038,0.393854076,0.603045627,1.905123919,1.80667067,0.42677241,0.460334198,0.436544985,0.365408761,0.383537446,0.149758249,4.138566999,5.026023031,10.63351144,0.345318774,0.898704455,2.26213303,2.206253873,0.693501196,0.438237518,0.427412185,0.515176315,0.570072526,0.392418028,5.161888099,8.089671418,16.71271286,0.298474556,1.477666869,2.014456778,1.928974381,0.508525036,0.452488005,0.433286919,0.408551069,0.436729387,0.212125698,4.451956195,5.891168988,12.31916983,0.328662386,1.057406154,2.325290586,2.277003796,0.740625936,0.43520967,0.426172142,0.544336911,0.60692576,0.446962433,5.342920318,8.703274077,17.9675832,0.292072717,1.598225104,2.268446772,2.214869336,0.69558958,0.438016621,0.427671302,0.518054112,0.574349497,0.39443048,5.178905688,8.142861166,16.81662676,0.298531884,1.486834089 +UMLRON0198,L,"cis-1,2-dimethylcyclohexane",C[C@@H]1CCCC[C@@H]1C,16628,Sandia values from independent api report ,Sandia,,C8H16,PubChem,,80.9,0,0.5524,0.30514576,33.7512,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1516.485775,813.449451,220.131072,21.337344,0,0,3885.475125,5223.921076,7758.63172,8237.925345,5757.609485,2643.963217,652.758633,0,0,167.819552,174.20624,341.883496,485.2951,497.372268,288.562176,141.087744,0,0,29.42500648,40.12790896,63.51436973,73.84555631,57.77506978,29.37664449,9.336871002,0,0,3973.037281,3464.315612,7404.551417,11080.65075,12249.43814,7257.819716,3883.270693,0,0,36.55555556,44.5,75.19444444,102.5833333,94.33333333,55,21,0,0,48.76541633,56.15943233,37.32917321,21.97805471,11.29790904,5.241216,1.016064,0,0,161.8947969,217.6633782,161.6381608,119.3902224,79.96679841,62.95150517,31.08374443,0,0,6.992481333,7.258593333,7.122572833,7.033262319,6.907948167,6.870528,6.718464,0,0,1.226041937,1.671996207,1.323216036,1.070225454,0.802431525,0.699443916,0.444612905,0,0,165.54322,144.3464838,154.2614879,160.5891412,170.1310852,172.8052313,184.917652,0,0,1.523148148,1.854166667,1.566550926,1.486714976,1.310185185,1.30952381,1,0,0,0.032199942,-0.002797727,-0.003697588,-0.018142177,0.001119485,-0.004814924,0.012232959,0,0,645.6853813,6.61E-13,-80.71067267,-403.5533633,-40.35533633,-80.71067267,282.4873543,0,0,1200.679538,0,-150.0849423,-750.4247115,-75.04247115,-150.0849423,525.297298,0,0,0.126485333,2.94E-15,-0.015810667,-0.079053333,-0.007905333,-0.015810667,0.055337333,0,0,5.367596186,1.23E-14,-0.670949523,-3.354747616,-0.335474762,-0.670949523,2.348323331,0,0,29.15686767,-1.14E-13,-3.644608459,-18.22304229,-1.822304229,-3.644608459,12.75612961,0,0,2.314814815,-0.888888889,0.342592593,-1.233796296,0.768518519,-0.939814815,0.793981481,0,0,0.001341664,-1.17E-04,-7.70E-05,-2.63E-04,1.55E-05,-1.15E-04,5.83E-04,0,0,26.90355756,2.75E-14,-1.681472347,-5.848599469,-0.560490782,-1.921682683,13.45177878,0,0,50.0283141,0,-3.126769631,-10.87572046,-1.042256544,-3.573451007,25.01415705,0,0,0.005270222,1.22E-16,-3.29E-04,-0.0011457,-1.10E-04,-3.76E-04,0.002635111,0,0,0.223649841,5.11E-16,-0.013978115,-0.048619531,-0.004659372,-0.015974989,0.111824921,0,0,1.214869486,-4.74E-15,-0.075929343,-0.264102062,-0.025309781,-0.086776392,0.607434743,0,0,0.096450617,-0.037037037,0.007137346,-0.017881106,0.010673868,-0.022376543,0.037808642,0,0,-0.086886076,-0.057416064,-0.195973098,0.011588896,-0.085446892,0.434178552,0,0,1.02E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,0,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,2.32E-14,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,2.29E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,-3.90E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,-0.384,0.074,-0.185391304,0.110666667,-0.232,0.392,0,0,1.52427482,1.164805064,1.242354694,0.820810083,0.919861694,0.002465251,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.909,0.78775,1.196,0.732166667,1.360285714,0,0,0,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,35.83226547,17.82585496,25.82505281,35.72762192,4.46595274,17.82585502,-0.180555556,0.003886333,4.86E-04,-4.440231442,56.95949686,7.119937107,3.233872347,0,11.89,12.11011416,-0.163184458,0.057757171,5.99173565,8.131494617,8,24,24,24,8,0,0,0,0,0,17.491312,3.657350533,3.042364541,2.853663763,2.228199052,2.17548746,1.377970367,1.099508061,0.848898167,2.009882053,1.585950347,1.461105401,1.122580275,1.066605404,0.622488404,0.413035098,0.330410394,3.680932934,3.078435564,2.895085076,2.297520321,2.243749091,1.481273271,1.209688389,0.983826043,1.957719315,1.506815679,1.37483188,1.009371871,0.952794097,0.47545632,0.259521562,0.166688749,3.784792767,3.239284907,3.077882533,2.587690342,2.531187307,1.901999654,1.656579633,1.505179962,1.805580128,1.271648566,1.11426999,0.642452217,0.585704835,0.021015099,0.262056834,0.403334114,3.698311237,3.105160529,2.925676806,2.347875851,2.293440723,1.555731248,1.289020676,1.079174122,1.924629286,1.45612622,1.31921624,0.934416605,0.877571657,0.376614638,0.156092313,0.055506268,3.83554735,3.318282267,3.166469981,2.719383743,2.662420938,2.08581738,1.850629028,1.722040714,1.758439799,1.19828528,1.031595087,0.516627122,0.460560939,0.199076829,0.450448455,0.616550127,3.693337584,3.202528088,2.992569805,2.501366942,2.414575883,1.676969391,1.403180493,1.232251244,1.913934192,1.349624362,1.230310518,0.753942722,0.722583699,0.2174035,7.08E-04,0.124359124,0,0,0,0,0,2,4,2,0,0,0,0,0.083333333,0.166666667,0,0,0,0.083333333,0.166666667,0.577350269,0,0,0,0.577350269,0,0,0,0.741581624,1.093412989,1.020220057,0.741581624,1.093412989,1.020220057,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,30.91733718,41.28122386,61.83467437,7.729334296,30.91733718,1.11E-16,1.39E-17,-29.38944046,4000010.293,500001.2866,12.16144599,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.741388889,0,5.899814815,0,0,0,2.025462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.472222222,0,0,0,1.012731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.476527778,0,0,0,1.012731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.370694444,0.2,1.012731481,5.7528125,0.320601852,0.370694444,1.482777778,0.320601852,0.370694444,1.482777778,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.42549,1.05319,8.42549,0,0,3.78768,0.47346,3.78768,0,0,0.12632,0.01579,0.21232,0.02654,0.25,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.605388542,3.105388542,3.105388542,3.105388542,22.03910002,34.03910002,62.52932501,74.52932501,74.52932501,74.52932501,0.200284263,0.309336409,0.568246423,0.677298569,0.677298569,0.677298569,3.666666667,3.166666667,1.979573959,1.479573959,1.479573959,1.479573959,0.200284263,0.309336409,0.568246423,0.677298569,0.677298569,0.677298569,6.73287657,12.73287657,16.67730206,17.18121457,17.18121457,17.18121457,31.59900002,23.74937501,20.87142917,19.56315834,19.56315834,19.56315834,6.125,2.52,1.8,0,0,0,2.34,1.1272,0.25,3.039342743,2.309401077,0,3.532775529,5.111544834,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,10,11,10,5,0,0,0,0,62,2.197224577,2.397895273,2.397895273,2.48490665,2.397895273,1.791759469,0,0,0,0,4.143134726,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,2,0.666666667,0.5,0.222222222,0,0,0,0,0,0,0.25,0.066666667,0.071428571,0.074074074,0,0,0,0,0,0,0.462169312,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,0,134.567877,4,3.610917913,4.343805422,5.141663557,5.888877958,6.690842277,7.44132039,8.24407127,8.995288991,9.798182591,76.15497037,2.833213344,0,4.043051268,0,5.451038454,0,6.947937069,0,8.479906607,8.727292029,112.1252005,4.671883355,15.53295821,1.941619777,0,0,0,61,7,4.43,36,1.224166127,2.094794846,2.815360989,3.489894013,4.439762854,5.234822833,0,0,0,0,78.54273178,86.43663066,67.8113012,45.08600372,24.51685715,5.318915027,0,0,0,0,289.3400736,361.1040737,354.6330967,300.4382172,288.8958816,162.7178951,0,0,0,0,8.917064339,14.96718785,19.8493851,24.17740647,30.5483984,35.16996875,0,0,0,0,2.17096299,2.906091803,3.130761575,2.946641408,3.180581352,2.327469786,0,0,0,0,174.752874,319.837531,448.5568451,588.4393715,763.6391302,968.0111471,0,0,0,0,2.316970341,3.363889538,4.261770818,4.721366424,5.924555878,5.234822833,0,0,0,0,0.449298446,0.609779712,0.667645828,0.640414087,0.702831927,0.536045858,0,0,0,0,319.7742077,131.5526727,8.141823588,80.41420178,-33.08178994,-4.13130653,239.3600059,164.6344627,12.27313012,0.799059143,0.328726844,0.020344976,0.200940857,-0.082665537,-0.010323404,127.9699316,52.64585487,3.258263432,32.18083151,-13.2389489,-1.653300989,0.072048215,0.151462109,1.219298384,1.257505672,400.1884095,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,944.3601888,30.73044401,9.810983759,1.450520005,1.450520005,381.2891891,275.4956943,155.7912984,1.384011427,2.447435723,1.768363812,3.772133311,3.780722771,6.119384403,0.618575276,4.463030408,6.04063106,10.54903683,10.27695489,18.11070208,7.982806813,8.977707478,8.889325298,6.051727121,1.418965368,2.063211621,5.11E-07,2.09E-34,1.66E-83,2.53E-154,7.43E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375119018,5.574379929,0.709898736,4.143463853,0.980576918,1.563715784,1.875205062,0.452500548,0.215868777,0.048916832,0.014531368,3.60E-09,1.48E-36,1.17E-85,1.78E-156,5.23E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.209548666,5.605536529,2.36556285,4.903279592,3.501264153,2.643424374,2.573215013,1.406741644,0.88926181,0.204144599,0.15142806,3.75E-08,1.54E-35,1.22E-84,1.85E-155,5.45E-248,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212771325,5.989441044,9.821913408,9.727356866,16.71675408,7.508268493,8.276948801,8.101173223,5.511268929,1.291073351,1.83828441,4.55E-07,1.87E-34,1.48E-83,2.25E-154,6.62E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.782358525,5.645931995,3.606852369,5.57100193,5.521412669,3.453069916,3.275590724,2.289802073,1.505279484,0.347648947,0.328921981,8.15E-08,3.34E-35,2.64E-84,4.03E-155,1.18E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389627238,6.255877998,13.3829241,12.50955793,23.66387409,9.832420878,11.87426607,12.11594233,8.260800307,1.94247179,3.009000246,7.45E-07,3.06E-34,2.42E-83,3.68E-154,1.08E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.967193635,5.314903157,6.001497642,7.323199855,9.59201458,5.152280359,5.42735884,4.72040677,3.229093153,0.767965652,0.822998542,2.04E-07,8.36E-35,6.61E-84,1.01E-154,2.96E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.058983373,1.717931863,0.67707967,0.560870229,0.314985968,0.522422968,0.507720656,0.420623378,5.453994906,8.489477195,17.5016104,0.341305344,1.450767002,2.233968092,1.169777309,0.222885384,0.615989943,0.322552082,0.279600997,0.235449416,0.046118985,3.626630785,3.371890284,7.580975225,0.423984915,0.561169398,2.561347011,1.387521326,0.403532162,0.588490653,0.318794497,0.366920236,0.331241845,0.150505751,4.3524005,5.147418981,10.93394196,0.382735979,0.848667832,3.038531807,1.704364152,0.66585856,0.561780313,0.315112129,0.515490141,0.499735204,0.406921799,5.408754519,8.33686256,17.19394188,0.34267047,1.422147145,2.707405743,1.484562455,0.483937736,0.579012021,0.317491942,0.409710374,0.379182186,0.216003492,4.675905934,6.047964516,12.66896764,0.368518031,1.004896052,3.123018961,1.760407985,0.712203533,0.55811744,0.314604045,0.544431012,0.533129594,0.464948749,5.595630479,8.975781441,18.48695561,0.337176161,1.542509355,3.054454474,1.707393034,0.667643312,0.562567389,0.314466511,0.52083036,0.501525612,0.40879914,5.42949082,8.394369934,17.30572364,0.343851083,1.431155113 +UMLRON0199,L,"cis-i,3-dimetmylcyclohexane",C[C@H]1CCC[C@H](C1)C,16629,Sandia values from independent api report ,Sandia,,C8H16,UML,"cis-1,3-dimethylcyclohexane",71.7,0,2.048,4.194304,33.4516,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1238.953135,960.504724,772.042996,271.436256,30.48192,0,0,3399.790734,4147.41404,5371.798596,5499.57267,4335.742164,2679.624282,932.5123329,0,0,146.842108,144.889944,254.804092,304.556368,371.274448,190.180224,201.55392,0,0,25.74688067,32.32302034,44.45683953,49.23237685,42.08235351,26.72103934,13.33838715,0,0,3476.407621,2904.481805,5677.860524,6733.31762,9339.72367,4293.28431,5547.529561,0,0,41.80555556,46.5,64.55555556,82.5,78.66666667,55,30,0,0,48.76541633,51.7541979,34.41536486,22.33731916,14.29709252,10.05319467,1.016064,0,0,161.8947969,207.370702,149.2166277,127.8970388,80.29152155,99.24534379,31.08374443,0,0,6.992481333,7.2444972,7.077891444,7.082706233,6.875452741,7.043712,6.718464,0,0,1.226041937,1.616151017,1.234912209,1.144938996,0.779302843,0.989668124,0.444612905,0,0,165.54322,145.2240902,157.7183479,156.5887819,172.9578457,159.01053,184.917652,0,0,1.990740741,2.325,1.793209877,1.918604651,1.456790123,2.037037037,1,0,0,0.042772446,-0.005673988,-0.004239037,-0.028452567,0.028597441,-0.037995364,0.026377291,0,0,564.9747087,-53.80711511,40.35533633,-511.1675936,363.198027,-524.6193723,403.5533633,0,0,1050.594596,-100.0566282,75.04247115,-950.5379679,675.3822403,-975.5521249,750.4247115,0,0,0.110674667,-0.010540444,0.007905333,-0.100134222,0.071148,-0.102769333,0.079053333,0,0,4.696646663,-0.447299682,0.335474762,-4.24934698,3.019272855,-4.361171901,3.354747616,0,0,25.51225921,-2.429738973,1.822304229,-23.08252024,16.40073807,-23.68995498,18.22304229,0,0,5.793650794,-2.139455782,2.103741497,-5.051020408,5.39569161,-6.079931973,2.87414966,0,0,0.002036783,-2.84E-04,-1.18E-04,-6.62E-04,5.30E-04,-0.001407236,8.79E-04,0,0,26.90355756,-2.690355756,1.120981565,-11.88761845,6.725889389,-19.43034712,13.45177878,0,0,50.0283141,-5.00283141,2.084513087,-22.10553414,12.50707852,-36.13156018,25.01415705,0,0,0.005270222,-5.27E-04,2.20E-04,-0.002328703,0.001317556,-0.003806272,0.002635111,0,0,0.223649841,-0.022364984,0.009318743,-0.098822023,0.05591246,-0.161524885,0.111824921,0,0,1.214869486,-0.121486949,0.050619562,-0.536802796,0.303717372,-0.87740574,0.607434743,0,0,0.275888133,-0.106972789,0.058437264,-0.117465591,0.099920215,-0.225182666,0.095804989,0,0,-0.139287968,-0.057812251,-0.324868946,0.260009147,-0.690910919,0.431682198,0,0,-0.1,0.041666667,-0.441860465,0.25,-0.722222222,0.5,0,0,-0.1,0.041666667,-0.441860465,0.25,-0.722222222,0.5,0,0,-0.1,0.041666667,-0.441860465,0.25,-0.722222222,0.5,0,0,-0.1,0.041666667,-0.441860465,0.25,-0.722222222,0.5,0,0,-0.1,0.041666667,-0.441860465,0.25,-0.722222222,0.5,0,0,-0.387739726,0.211815068,-0.425772539,0.36217656,-0.816210046,0.347260274,0,0,1.449945661,1.063002079,1.353046821,0.560170062,1.913783274,0.087688896,0,0,1.5,1.071428571,1.544850498,0.515873016,1.746031746,0,0,0,1.5,1.071428571,1.544850498,0.515873016,1.746031746,0,0,0,1.5,1.071428571,1.544850498,0.515873016,1.746031746,0,0,0,1.5,1.071428571,1.544850498,0.515873016,1.746031746,0,0,0,1.5,1.071428571,1.544850498,0.515873016,1.746031746,0,0,0,1.764383562,0.496765601,1.631251991,0.326737697,2.557077626,0,0,0,26.56346454,13.28173227,20.57934946,26.56346454,3.794780648,13.28173715,-3.55E-15,0.05926294,0.008466134,-1.978039783,33.21910597,4.745586567,2.452187634,26.56346454,13.28173227,20.57934946,26.56346454,3.794780648,13.28173715,-3.55E-15,0.05926294,0.008466134,-1.978039783,33.21910597,4.745586567,2.452187634,26.56346454,13.28173227,20.57934946,26.56346454,3.794780648,13.28173715,-3.55E-15,0.05926294,0.008466134,-1.978039783,33.21910597,4.745586567,2.452187634,26.56346454,13.28173227,20.57934946,26.56346454,3.794780648,13.28173715,-3.55E-15,0.05926294,0.008466134,-1.978039783,33.21910597,4.745586567,2.452187634,26.56346454,13.28173227,20.57934946,26.56346454,3.794780648,13.28173715,-3.55E-15,0.05926294,0.008466134,-1.978039783,33.21910597,4.745586567,2.452187634,26.56346454,13.28173227,20.57934946,26.56346454,3.794780648,13.28173715,-3.55E-15,0.05926294,0.008466134,-1.978039783,33.21910597,4.745586567,2.452187634,39.06663496,19.32081748,31.00686758,38.76306353,5.537580505,19.32081749,-0.425,0.115433646,0.016490521,-1.511341587,21.81299318,3.116141883,2.157754067,0,11.89,12.11009426,-0.173158075,0.049774147,5.798641854,7.822771901,6,20,19,19,5,1,1,0,0,1,15.304898,3.553668318,3.135864737,2.333552793,2.258160671,2.099516103,1.040866719,0.423019193,0.083923071,1.906683543,1.634937515,1.249629723,1.156667681,1.002020597,0.391171052,0.083923071,0.083923071,3.57588318,3.168924489,2.405454588,2.328169045,2.16725074,1.155849939,0.536208519,0.270913902,1.852043465,1.561783559,1.134540686,1.043414741,0.88536371,0.235110927,0.270913902,0.270913902,3.67636626,3.316136463,2.704236987,2.620435048,2.455789033,1.618398092,0.96371556,0.943918427,1.696968375,1.345761678,0.76031856,0.675471538,0.511003264,0.297956534,0.943918427,0.943918427,3.592399782,3.193399423,2.457539916,2.378974363,2.216770996,1.23839176,0.615759594,0.399277246,1.817732249,1.515066941,1.058262671,0.968360172,0.808372988,0.129777342,0.399277246,0.399277246,3.726936128,3.388477963,2.838982085,2.752732393,2.588903236,1.817646114,1.207644823,1.207644823,1.650475597,1.278619582,0.631337262,0.548962601,0.384463158,0.491875365,1.134173855,1.207644823,3.607983242,3.227198094,2.533369129,2.529124506,2.25743738,1.241900044,0.643137959,0.518518519,1.870174923,1.452996234,0.973568951,0.899529085,0.645712126,0.087057927,0.518518519,0.518518519,0,0,1,0,1,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.65824829,0,0,0,0.471404521,0.942809042,0.23570226,0.348461713,0.637136847,0.144337567,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,5.491563832,2.77005561,2.555077777,0.756710003,0.696923425,0,0,0,0.784509119,0.461675935,0.365011111,0.189177501,0.174230856,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,3,1,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.082314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.358819444,0,0,0,0.984930556,0.580555556,0,0.358819444,0,0,0,0,0,0,0,0,6.475555556,3.795277778,1.166666667,0,0,0,0.775462963,0,0,1.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.358819444,0,0,0,0.225625,0.290277778,0,0.358819444,0,0,0,0,0,0,0,0,2.069444444,3.795277778,1.166666667,0,0,0,0.775462963,0,0,1.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.795277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.358819444,0,0,0,0.290277778,0.290277778,0,0.358819444,0,0,0,0,0,0,0,0,2.203055556,3.795277778,1.166666667,0,0,0,0.775462963,0,0,1.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.5,1.928571429,0.358819444,3.795277778,0.065972222,0.775462963,4.714771204,0.55787037,0.795277778,2.541666667,0.55787037,0.795277778,2.541666667,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0.28571,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.15751,0.87964,7.47656,1.31905,0.18844,2.58458,0.36923,3.12588,0.5413,0.07733,0.28812,0.04116,0.28812,0.04116,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.153291232,3.141619208,3.141619208,2.932461236,2.191067441,19.28421252,45.21911587,65.97400337,65.97400337,61.58168595,46.01241626,0.209068641,0.49024035,0.715253226,0.715253226,0.667634179,0.498840869,3.474021589,2.239026191,1.250698215,1.250698215,1.459856187,2.201249982,0.209068641,0.49024035,0.715253226,0.715253226,0.667634179,0.498840869,6.73287657,17.21697421,18.21303588,18.21303588,15.70314021,10.35774293,27.64912502,16.33397711,15.95461758,15.95461758,14.69966974,11.54361837,7,3.06122449,6,7,2,5,2.23,1.0519,1.889881575,2,4.618802154,0,0,2,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.108,0.104,0.16,2.909,7,4,4,0,0,0,0,0,0,28,2.079441542,2.302585093,1.791759469,1.945910149,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,2.5,0.444444444,0.5,0,0,0,0,0,0,0,0.416666667,0.063492063,0.125,0,0,0,0,0,0,0,0.60515873,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,0,126.9918924,3.807354922,3.295836866,3.891820298,4.65396035,5.262690189,6.033086222,6.64509097,7.417580402,8.030409562,8.803424212,67.03389907,2.564949357,0,3.713572067,0,4.976733742,0,6.300785795,0,7.655864018,7.958576904,98.10955045,4.671883355,12.50916243,1.787023205,0,0,0,48,4,3.389,26,1.2229,2.118093692,2.9549114,3.512516939,4.361382119,4.853088774,0,0,0,0,73.6156376,83.40383548,71.02757209,56.69095268,44.81884911,4.931048792,0,0,0,0,277.7186352,345.6042922,392.325364,302.3412671,440.1858105,150.8521712,0,0,0,0,8.892335553,15.0567315,20.96163006,24.20356902,30.75533894,32.60530222,0,0,0,0,2.107286619,2.794594708,3.471256369,2.866888298,4.375006822,2.157745897,0,0,0,0,175.5375183,329.408772,460.3395848,603.5666074,690.7162688,897.4217812,0,0,0,0,2.902458333,3.997096366,5.751694205,5.243726469,8.854893075,4.853088774,0,0,0,0,0.4370085,0.587319164,0.739539937,0.621485981,0.947669004,0.49695629,0,0,0,0,364.1731586,153.2855854,10.51467528,128.4362926,-54.06063524,-7.909996058,235.736866,207.3462206,18.42467134,0.739273592,0.311170614,0.021344851,0.260726408,-0.109743398,-0.016057337,179.3951398,75.50992809,5.179628419,63.26893159,-26.63077985,-3.896538817,0.126942147,0.236870008,3.931508419,4.231169634,492.6094512,0,1,0,395.3145785,19.88251942,7.339181199,531.3577082,23.05119754,8.099576812,655.1910442,25.59669987,8.685389863,1.440028788,1.440028788,370.9979183,306.7240259,105.7888861,1.209549585,3.506964974,2.899397443,3.831399819,3.477616438,6.454647571,0.856055056,4.067936095,4.967321182,4.810510914,14.76589525,2.586804928,6.409091791,4.531913246,8.195698755,3.561317401,3.350747815,1.019213035,1.628283808,2.42E-13,6.96E-48,3.86E-104,4.12E-182,8.49E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0.341404395,4.9141681,0.251794559,6.879140016,0.421589548,0.277624723,0.339337268,0.39736244,1.021908003,0.035752714,0.007209786,0.011468136,1.71E-15,4.90E-50,2.72E-106,2.90E-184,5.98E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,1.102068962,4.917720392,0.912926819,8.014554576,0.593382827,1.067567488,0.853943094,1.447878599,1.434730916,0.277149654,0.074885106,0.119506819,1.78E-14,5.11E-49,2.83E-105,3.02E-183,6.23E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,3.839800494,4.961485616,4.436125146,14.11523247,2.358673616,5.870421772,4.154545626,7.526799532,3.36852544,2.993824123,0.908122076,1.450771558,2.16E-13,6.20E-48,3.44E-104,3.67E-182,7.57E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,1.62424134,4.922325675,1.446763509,8.93485223,0.791533585,1.746903079,1.308509734,2.329745374,1.749453367,0.572100047,0.162583224,0.25958478,3.87E-14,1.11E-48,6.15E-105,6.57E-183,1.35E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,4.912619538,4.991858841,6.304903913,17.36557779,3.539994565,8.588966115,6.06618275,10.88975477,4.317525958,4.847110665,1.486324053,2.374698905,3.54E-13,1.02E-47,5.63E-104,6.01E-182,1.24E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,2.256336612,3.54572579,1.793831072,9.912816237,1.012851081,2.44632545,1.592917559,2.947552757,2.166814666,0.943388317,0.274136859,0.437782752,6.52E-14,1.87E-48,1.04E-104,1.11E-182,2.28E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,3.779273987,1.467824,0.562681814,0.650502105,0.252647097,0.533388532,0.542890633,0.47448388,5.809779801,8.499755673,17.4309054,0.475753157,1.550763045,2.92324022,0.86670502,0.213288722,0.730219679,0.216501216,0.31951876,0.190538964,0.068146845,4.003233962,3.341939551,7.885559042,0.595329519,0.578204569,3.262946535,1.105606946,0.35218185,0.691194551,0.234202273,0.397822537,0.309233813,0.18587784,4.720735331,5.146061599,11.13730576,0.536791826,0.892934191,3.758054453,1.452957633,0.55404273,0.651867948,0.252028416,0.527422974,0.532036421,0.460029583,5.765054816,8.347417266,17.13770822,0.477801922,1.519488977,3.414493877,1.212028472,0.414032875,0.677404319,0.24045535,0.435539997,0.371198637,0.25691388,5.040555223,6.053996142,12.80801143,0.516106478,1.063652514,3.845714308,1.51436169,0.58972579,0.646360071,0.254523049,0.552286063,0.577564783,0.521174944,5.949801788,8.984777471,18.36902574,0.469540107,1.65102579,3.761594179,1.457045299,0.554144328,0.651608358,0.252399076,0.528453811,0.53499639,0.458879825,5.772783805,8.372692579,17.18263788,0.477412538,1.522330027 +UMLRON0200,L,"2,4-Dimethyl-1-Pentene",CC(C)CC(=C)C,16657,,"Sandia, UML",[1],C7H14,PubChem,,99.2,0,0.8404,0.70627216,30.8396,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1598.091777,1031.200804,399.786073,90.93168,9.144576,0,0,3399.790734,4570.930941,6845.084609,6384.093196,3638.87454,1247.927098,279.7536999,0,0,146.842108,152.43046,299.153988,407.329168,384.24106,163.638144,60.466176,0,0,25.74688067,35.11192034,55.82667958,59.24622745,39.28337506,14.68429815,4.001516144,0,0,3476.407621,3031.276161,6480.349218,9348.106878,9724.95334,4247.253023,1664.258868,0,0,32.30555556,39.25,65.94444444,86.33333333,70,30,9,0,0,48.76541633,56.15943233,38.04980421,17.77932421,7.139037018,3.78882,1.016064,0,0,161.8947969,217.6633782,162.978205,110.0705723,64.97990251,51.99696242,31.08374443,0,0,6.992481333,7.258593333,7.122714,7.02291669,6.8614475,6.818256,6.718464,0,0,1.226041937,1.671996207,1.329206657,1.02148668,0.70148884,0.611845756,0.444612905,0,0,165.54322,144.3464838,154.294029,161.1742565,173.6598811,176.9688759,184.917652,0,0,1.538359788,1.869047619,1.57010582,1.488505747,1.25,1.25,1,0,0,0.028021059,-0.002788608,-0.001600313,-0.022556882,0.005240851,0.002865749,0.004828673,0,0,564.9747087,4.62E-13,-40.35533633,-511.1675936,67.25889389,80.71067267,121.066009,0,0,1050.594596,0,-75.04247115,-950.5379679,125.0707852,150.0849423,225.1274134,0,0,0.110674667,1.58E-15,-0.007905333,-0.100134222,0.013175556,0.015810667,0.023716,0,0,4.696646663,7.55E-15,-0.335474762,-4.24934698,0.559124603,0.670949523,1.006424285,0,0,25.51225921,1.91E-14,-1.822304229,-23.08252024,3.037173716,3.644608459,5.466912688,0,0,2.145502646,-0.896825397,0.431216931,-1.341017889,0.625220459,-0.245653817,0.35430839,0,0,0.001334336,-1.33E-04,-3.81E-05,-3.89E-04,9.36E-05,1.19E-04,5.37E-04,0,0,26.90355756,2.20E-14,-0.960841341,-8.813234372,1.201051677,3.362944694,13.45177878,0,0,50.0283141,0,-1.786725503,-16.38858565,2.233406879,6.253539262,25.01415705,0,0,0.005270222,7.54E-17,-1.88E-04,-0.001726452,2.35E-04,6.59E-04,0.002635111,0,0,0.223649841,3.60E-16,-0.007987494,-0.073264603,0.009984368,0.02795623,0.111824921,0,0,1.214869486,9.09E-16,-0.043388196,-0.397974487,0.054235245,0.151858686,0.607434743,0,0,0.102166793,-0.042705971,0.01026707,-0.023120998,0.011164651,-0.010235576,0.039367599,0,0,-0.099518284,-0.02855554,-0.291464603,0.070137215,0.089487362,0.402086988,0,0,8.17E-16,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,0,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,1.43E-14,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,1.61E-15,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,7.48E-16,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,-0.418002466,0.100493218,-0.226306391,0.109278668,-0.100184957,0.385326757,0,0,1.527399563,1.117012583,1.325574756,0.684674058,0.657708233,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.935881628,0.733662145,1.250053149,0.6797164,1.165228113,0,0,0,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,27.96203969,13.89173413,20.50536604,27.83448867,3.976355525,13.89173666,-0.178571429,2.22E-16,3.17E-17,-25.23055737,2000016.269,285716.6099,10.15606611,0,11.89,12.11009426,-0.163181251,0.057741111,5.809849799,7.769255455,7,21,21,21,7,0,0,0,0,0,15.304898,3.670058915,2.933810622,2.568356182,2.214034341,1.840573327,0.98819579,0.898836676,0.083923071,1.820055384,1.784392849,1.296410032,1.14153701,0.728697418,0.430007647,0.32530402,0.083923071,3.693122535,2.974228832,2.620054894,2.281999042,1.918428202,1.111527094,1.02732901,0.270913902,1.759669096,1.720804688,1.191241112,1.027268224,0.590909257,0.279396622,0.161003297,0.270913902,3.794799492,3.153618635,2.846743542,2.56645936,2.244248759,1.597243875,1.531069198,0.943918427,1.584305129,1.534222857,0.856807739,0.656619408,0.134098508,0.227674607,0.41162516,0.943918427,3.710123482,3.00414231,2.658192536,2.331360111,1.975003119,1.199329816,1.118667035,0.399277246,1.721399536,1.680334487,1.122087157,0.95158259,0.498863226,0.178221864,0.04938883,0.399277246,3.84455841,3.240986499,2.955115796,2.695693538,2.39175294,1.802727072,1.743066004,1.207644823,1.530440043,1.476327506,0.744668785,0.52944963,0.025930955,0.408464249,0.626104263,1.207644823,3.69742235,3.129789868,2.768810474,2.445685514,2.071696928,1.330336592,1.256370784,0.626865672,1.691948461,1.647492979,0.938117443,0.765204986,0.360295356,0.035765205,0.126771621,0.626865672,0,0,0,0,0,2,3,2,0,0,0,0.11785113,0.23570226,0.11785113,0,0,0.11785113,0.23570226,0.11785113,0.577350269,0,0,0,0.577350269,0,0,0,0.741581624,1.040440115,0.589255651,0.741581624,1.040440115,0.589255651,5.276020882,3.2876937,3.023395961,1.95700308,1.491624578,0.638071187,0,0,0.753717269,0.469670529,0.335932885,0.217444787,0.149162458,0.127614237,0,0,5.276020882,3.2876937,3.023395961,1.95700308,1.491624578,0.638071187,0,0,0.753717269,0.469670529,0.335932885,0.217444787,0.149162458,0.127614237,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.4425,32.179,22.47266809,30.16393587,44.94533619,6.420762312,22.47266809,3.33E-16,4.76E-17,-24.9467318,2000014.736,285716.3909,10.15606557,42,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,4.701388889,0,4.418981481,0,0,0,2.046296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.350694444,0,1.472222222,0,0,0,1.023148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.350694444,0,1.47337963,0,0,0,1.023148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.16666667,1.595238095,0.2,2.350694444,0.2,1.023148148,5.030625,0.310185185,0.350694444,1.402777778,0.310185185,0.350694444,1.402777778,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.28571,0.28571,0,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.88311,0.9833,6.88311,0,0,3.28768,0.46967,3.28768,0,0,0.12632,0.01805,0.21232,0.03033,0.238095238,7,0,0,0,0,0,0,1,0.918295834,1.437181403,2.534243613,2.796613851,2.606137661,2.534243613,19.28421252,30.18080947,53.21911587,58.72889087,54.72889087,53.21911587,0.209068641,0.327203447,0.576971874,0.636705771,0.593340009,0.576971874,3.474021589,2.95513602,1.85807381,1.595703572,1.786179762,1.85807381,0.209068641,0.327203447,0.576971874,0.636705771,0.593340009,0.576971874,6.73287657,12.9595034,15.50715994,15.77158323,13.48586895,15.50715994,27.64912502,20.43243106,19.72855157,19.09910259,22.28154241,19.72855157,5.142857143,1.851851852,1.185185185,0,0,0,2.23,0.9863,0.25,2.620741394,2.309401077,0,1.889881575,4.762203156,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.167,9,9,10,5,0,0,0,0,0,47,2.079441542,2.302585093,2.302585093,2.397895273,1.791759469,0,0,0,0,0,3.871201011,1,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,0,2,4,1,2,0.666666667,0.569444444,0,0,0,0,0,0,0,0.285714286,0.074074074,0.142361111,0,0,0,0,0,0,0,0.502149471,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,0,117.2718924,3.807354922,3.496507561,4.234106505,5.043425117,5.802118375,6.610696045,7.378383713,8.182838711,8.955835144,9.75643661,73.46034778,2.708050201,0,3.931825633,2.397895273,5.303304908,4.59511985,6.736966958,6.502790046,8.206583614,8.621913502,98.10955045,4.671883355,13.45353991,1.921934272,0,0,0,41,4,3.861,32,1.343117981,2.387748184,3.30076489,4.055729021,4.90477517,5.618364738,0,0,0,0,95.70321648,107.3145279,66.93564181,32.92165967,19.89113576,5.708618149,0,0,0,0,339.7181944,434.5736926,389.9333773,280.5345184,264.8975453,174.6398136,0,0,0,0,9.8140227,17.10377092,23.25362753,27.88951434,33.48908162,37.74678123,0,0,0,0,2.502707816,3.446192002,3.543437782,2.966017675,3.079844572,2.497997467,0,0,0,0,189.8352978,361.5686675,526.5937837,699.5695377,864.2433504,1038.934816,0,0,0,0,2.571827921,3.916571251,5.04690928,5.187680066,6.248886434,5.618364738,0,0,0,0,0.516208864,0.721163011,0.758827304,0.652475557,0.687198687,0.575320549,0,0,0,0,301.3907856,108.0771834,7.681875059,54.21747512,-19.44210732,-2.775911306,247.1733105,127.5192907,10.45778637,0.847535951,0.303922027,0.021602071,0.152464049,-0.054672823,-0.007806093,107.1770531,38.4331392,2.731738229,19.28018203,-6.913773969,-0.987136992,0.082656363,0.173762382,1.532306508,1.699488296,355.6082607,0,1,0,340.3421315,18.44836393,6.981872358,475.9606367,21.8165221,7.807710088,540.9259275,23.25781433,8.147904551,1.170540799,1.079704131,380.6148952,359.2357983,138.1975316,1.059512713,2.754136711,2.599437154,4.130397679,3.964631517,7.232820171,0.824336042,3.904607748,3.492871915,2.203786955,9.905142693,10.1560406,6.933149317,5.684510452,10.86158054,4.289390457,1.376926042,1.954472533,0.667930616,0.004424831,7.94E-04,2.75E-26,1.83E-70,2.36E-136,5.86E-224,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,3.492623452,0.747249648,3.211139567,1.164599427,2.579858486,0.302784826,0.42632748,0.460604942,0.098123644,0.023665484,0.00472018,3.12E-05,5.59E-06,1.94E-28,1.29E-72,1.66E-138,4.13E-226,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,3.492640606,0.979796962,4.165462939,2.373448994,3.191054992,1.007074656,1.52651488,0.918209089,0.328241316,0.168882175,0.049063152,3.25E-04,5.83E-05,2.02E-27,1.35E-71,1.73E-137,4.30E-225,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,3.492844831,2.09170778,9.349565538,9.383957741,6.568507993,5.215577745,9.858407852,3.940398327,1.287702623,1.748216559,0.595125095,0.003942445,7.07E-04,2.45E-26,1.63E-70,2.10E-136,5.22E-224,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,3.492662347,1.158662878,4.942926757,3.389305738,3.692988914,1.607604108,2.587548826,1.328522286,0.495388641,0.342473094,0.106532621,7.05E-04,1.27E-04,4.38E-27,2.92E-71,3.76E-137,9.35E-225,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,3.492985676,2.64477942,12.12771149,13.26636384,8.394678047,7.579111867,14.98955131,5.711667093,1.719697268,2.818123535,0.974062203,0.0064532,0.001157883,4.01E-26,2.67E-70,3.44E-136,8.55E-224,0,0,0,0,0,0,0,0,0,0,0,0,2.593793786,3.311288551,1.290460218,6.065826389,5.455404525,4.588287564,2.969007901,5.035033834,2.670022247,0.851099565,0.818632869,0.262551613,0.001738784,3.12E-04,1.08E-26,7.21E-71,9.28E-137,2.30E-224,0,0,0,0,0,0,0,0,0,0,0,0,3.841498335,1.325580748,1.152801804,0.607843471,0.209747742,0.495868308,0.385181716,0.554347888,6.319880886,11.04883432,23.23903127,0.411765207,1.435397913,3.067508003,0.813448624,0.602042661,0.684253511,0.181451874,0.316269641,0.144907374,0.150377324,4.482999288,4.831761619,10.81701398,0.526380267,0.611554339,3.374731392,1.016890157,0.820927487,0.647424392,0.195085005,0.382710194,0.226582341,0.280394025,5.212549036,7.036933978,15.06668543,0.471136588,0.889686559,3.822319267,1.312905142,1.139180464,0.609192321,0.209247756,0.490927953,0.377848408,0.541290478,6.274404873,10.86828995,22.8594927,0.413788481,1.410066839,3.511753166,1.107553856,0.918432365,0.63414923,0.20000108,0.414399007,0.268834102,0.351296901,5.537739386,8.131976831,17.24191827,0.451223844,1.03453001,3.901547992,1.365263976,1.195442174,0.603744128,0.211267453,0.511497925,0.40859339,0.596220488,6.462254141,11.62281207,24.4527598,0.405616192,1.516311802,3.839437477,1.313315945,1.142992541,0.609846315,0.208603707,0.495332478,0.378207276,0.545018408,6.295745962,10.93195318,22.99111839,0.414769473,1.418558162 +UMLRON0201,L,"cis-1,3-dimethylcyclopentane",C[C@@H]1CC[C@@H](C1)C,17326,Sandia values from independent API report ,Sandia,,C7H14,PubChem,,79.2,0,1.3601,1.84987201,51.5331,30.028688,6,6,27,11,16,0,11,0,0,0,0,0,0,0,0,0,1603.162355,1780.618739,2210.453461,2137.901484,1730.339361,1264.273926,711.426747,292.683049,56.556864,5156.02583,6494.471781,8852.27832,9344.365689,8334.371961,6812.86264,4426.029515,2151.875848,707.6164209,190.4411,196.827788,343.950484,445.901232,444.233412,420.41436,333.334956,186.611428,82.21824,37.79170648,48.49460896,69.87829961,77.54786311,71.85286464,61.47937042,42.42184023,21.70708098,8.011080479,4353.420349,3844.69868,7261.976634,9934.889188,10045.66887,9760.671112,8033.980219,4584.907161,2091.831407,53.05555556,64.13888889,95.5,113.3333333,111.1666667,102.3333333,75.5,40.5,16,59.37638352,65.94884219,46.05111377,33.93494419,27.46570414,21.0712321,14.82139056,10.84011293,4.713072,190.9639196,240.5359919,184.422465,148.3232649,132.2916184,113.5477107,92.20894824,79.69910549,58.96803508,7.053374074,7.289918074,7.165635083,7.077797333,7.051324,7.006906,6.94447825,6.91153437,6.85152,1.399692833,1.796096628,1.455797909,1.230918462,1.140521661,1.024656174,0.883788338,0.803965962,0.66759004,161.2377907,142.3962474,151.2911799,157.6966538,159.4550614,162.6778519,167.3745879,169.8113763,174.3192839,1.965020576,2.375514403,1.989583333,1.798941799,1.764550265,1.705555556,1.572916667,1.5,1.333333333,0.059862261,-0.004402411,-0.017592557,-0.005747528,-0.008361876,-0.001896735,-0.0032438,0.00358102,0.003475556,789.1710216,-9.02E-13,-75.72853238,-43.34462051,-209.2498921,-188.8231169,-3.98571223,22.4196313,43.84283453,1467.497214,3.69E-13,-140.8204397,-80.60117271,-389.1091096,-351.1246489,-7.411602089,41.69026175,81.52762297,0.154593185,1.50E-15,-0.0148347,-0.008490914,-0.040990617,-0.036989152,-7.81E-04,0.004391852,0.00858851,6.560395338,1.65E-14,-0.629532886,-0.360324744,-1.739498764,-1.569690551,-0.03313331,0.186374868,0.364466408,35.6361716,-1.86E-13,-3.419632628,-1.957289728,-9.448984894,-8.526583987,-0.179980665,1.012391239,1.979787311,5.055555556,-0.305555556,0.388888889,0.222222222,-1.055555556,-1.444444444,-0.5,-0.166666667,-4.16E-16,0.002217121,-1.63E-04,-3.67E-04,-9.12E-05,-1.33E-04,-3.16E-05,-6.76E-05,1.33E-04,2.90E-04,29.22855636,-3.34E-14,-1.577677758,-0.688009849,-3.321426859,-3.147051949,-0.083035671,0.830356715,3.653569545,54.35174865,1.37E-14,-2.93375916,-1.279383694,-6.176335074,-5.852077482,-0.154408377,1.544083768,6.793968581,0.005725674,5.57E-17,-3.09E-04,-1.35E-04,-6.51E-04,-6.16E-04,-1.63E-05,1.63E-04,7.16E-04,0.242977605,6.11E-16,-0.013115268,-0.00571944,-0.027611091,-0.026161509,-6.90E-04,0.006902773,0.030372201,1.319858207,-6.88E-15,-0.071242346,-0.031068091,-0.149983887,-0.142109733,-0.003749597,0.037495972,0.164982276,0.187242798,-0.011316872,0.008101852,0.003527337,-0.01675485,-0.024074074,-0.010416667,-0.00617284,-3.47E-17,-0.073542341,-0.16530971,-0.041148233,-0.059865118,-0.014258243,-0.030480602,0.059820987,0.130633222,-1.14E-15,-0.053977273,-0.023538961,-0.113636364,-0.107670455,-0.002840909,0.028409091,0.125,2.52E-16,-0.053977273,-0.023538961,-0.113636364,-0.107670455,-0.002840909,0.028409091,0.125,9.73E-15,-0.053977273,-0.023538961,-0.113636364,-0.107670455,-0.002840909,0.028409091,0.125,2.51E-15,-0.053977273,-0.023538961,-0.113636364,-0.107670455,-0.002840909,0.028409091,0.125,-5.21E-15,-0.053977273,-0.023538961,-0.113636364,-0.107670455,-0.002840909,0.028409091,0.125,-0.06043956,0.043269231,0.018838305,-0.089481947,-0.128571429,-0.055631868,-0.032967033,-1.85E-16,1.196688915,1.082335421,0.952045349,0.989279803,0.986136768,0.96649813,1.007675181,0.890555011,1.181818182,1.121803977,1.012987013,1.076298701,1.030397727,0.872514205,0.8125,0.664772727,1.181818182,1.121803977,1.012987013,1.076298701,1.030397727,0.872514205,0.8125,0.664772727,1.181818182,1.121803977,1.012987013,1.076298701,1.030397727,0.872514205,0.8125,0.664772727,1.181818182,1.121803977,1.012987013,1.076298701,1.030397727,0.872514205,0.8125,0.664772727,1.181818182,1.121803977,1.012987013,1.076298701,1.030397727,0.872514205,0.8125,0.664772727,1.253968254,0.892857143,0.878684807,1.048752834,1.122619048,1.017857143,0.976190476,0.857142857,53.12694476,26.56347238,40.28454909,53.12694476,4.829722251,26.56347238,-1.42E-14,0.300004266,0.027273115,-1.324354442,59.34202777,5.394729797,4.491649565,53.12694476,26.56347238,40.28454909,53.12694476,4.829722251,26.56347238,-1.42E-14,0.300004266,0.027273115,-1.324354442,59.34202777,5.394729797,4.491649565,53.12694476,26.56347238,40.28454909,53.12694476,4.829722251,26.56347238,-1.42E-14,0.300004266,0.027273115,-1.324354442,59.34202777,5.394729797,4.491649565,53.12694476,26.56347238,40.28454909,53.12694476,4.829722251,26.56347238,-1.42E-14,0.300004266,0.027273115,-1.324354442,59.34202777,5.394729797,4.491649565,53.12694476,26.56347238,40.28454909,53.12694476,4.829722251,26.56347238,-1.42E-14,0.300004266,0.027273115,-1.324354442,59.34202777,5.394729797,4.491649565,53.12694476,26.56347238,40.28454909,53.12694476,4.829722251,26.56347238,-1.42E-14,0.300004266,0.027273115,-1.324354442,59.34202777,5.394729797,4.491649565,68.67135802,33.9248167,53.34381046,68.56116519,6.232833199,33.9248167,-0.242424242,0.43615789,0.039650717,-0.912726066,107.0420496,9.731095414,5.140543918,0,11.85,12.15012665,-0.209912552,0.090239597,5.364330745,9.230201846,11,27,24,21,5,3,0,0,0,6,17.491312,3.802485203,3.359481799,2.948116927,2.619181914,2.4542653,2.22856305,1.510271326,1.124648476,2.005623023,1.781700342,1.530524419,1.145106169,1.082250302,0.967181199,0.674632734,0.428435846,3.814476835,3.387515119,2.986622149,2.645815032,2.48962348,2.29737968,1.603864584,1.234484092,1.971430403,1.720231521,1.446688531,1.032322572,1.007167592,0.885584829,0.533873107,0.276266613,3.869438925,3.512342567,3.15964723,2.771820215,2.656263563,2.575844574,1.991640539,1.678641448,1.880928106,1.537460974,1.194546161,0.798620231,0.69512597,0.623062467,0.063636086,0.24066125,3.823418776,3.408268199,3.015250872,2.665925019,2.515983365,2.347134478,1.671735881,1.313478931,1.950662254,1.680816329,1.392672542,0.960278991,0.958385759,0.833400535,0.439562511,0.173766424,3.897822111,3.573670811,3.244794783,2.838078588,2.756933936,2.683537305,2.164006213,1.871054728,1.855125486,1.48053034,1.115437187,0.738564276,0.610912335,0.510585907,0.102428688,0.42757049,3.864980734,3.370419052,3.044575739,2.774320393,2.593814412,2.393306648,1.705875336,1.361736268,1.946995119,1.664745785,1.337567585,0.87104001,0.842749222,0.757749832,0.364611754,0.092536777,0,0,0,5,1,2,2,1,0,0,0,0,0.102062073,0.058925565,0,0,0,0.032075015,0.018518519,0.402368927,0,0.11785113,0,0.30034919,0,0.068041382,0,1.020220057,1.373773448,1.540440115,0.655417365,0.781103096,0.755392177,8.104448007,5.342535255,4.164049115,3.198584704,2.394246448,1.583776956,0.686886724,0.402368927,0.736768001,0.485685023,0.32031147,0.21323898,0.149640403,0.09898606,0.068688672,0.050296116,7.378315178,4.392064078,3.100406307,2.090295922,1.381251141,0.709170362,0.298328589,0.150856748,0.670755925,0.399278553,0.238492793,0.139353061,0.086328196,0.044323148,0.029832859,0.018857093,15.33462243,26.10269483,24.80392157,25.08,17.38843593,204.4541246,0.567948979,0.966766475,0.918663762,0.928888889,0.644016145,7.572374983,3.5902,49.765,48.58066272,70.80262708,97.16132543,8.832847767,48.58066272,0.242785013,0.022071365,-1.557136843,45.82054438,4.165504034,4.207205814,116,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,5,0,0,5,0,0,0,0,0,0,0,0,2,0,2,0,0,5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.18108371,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.969815405,0,1.42386515,0,0,1.969815405,0,0,0,0,0,0,0,0,4.526064815,0,2.569518141,0,0,10.71409297,0.723333333,0,0,0,1.466990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.466990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374027778,0,0.237999221,0,0,0.374027778,0,0,0,0,0,0,0,0,2.235555556,0,1.273869992,0,0,2.071592971,0.723333333,0,0,0,1.466990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.208657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.41710282,0,0.359305556,0,0,0.41710282,0,0,0,0,0,0,0,0,2.290509259,0,1.295648148,0,0,2.208657407,0.723333333,0,0,0,1.466990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20,1.818181818,0.41710282,2.290509259,0.106319444,0.723333333,6.998096357,0.61,0.290509259,2.480315571,0.61,0.290509259,2.480315571,5.5,0.5,0,0,0.46296,0.7,0.43333,0.43333,0.7,0.02963,0.02963,0,0,0.71429,0,0,0.18182,0.18182,0,11.5,1.04545,5.5,0.5,6,0.54545,0.5,0.04545,0,0,8.20185,0.74562,13.16786,4.96601,0.45146,3.38621,0.30784,5.34252,1.95631,0.17785,0.07148,0.0065,0.15748,0.01432,0.222222222,11,0,0,0,0,0,0,0.454545455,0.975119065,2.337367919,3.203987392,3.930270372,4.106377317,4.106377317,26.32821475,63.1089338,86.50765958,106.1173001,110.8721876,110.8721876,0.20507721,0.491571655,0.673830325,0.826574839,0.863611876,0.863611876,3.779768437,2.417519583,1.55090011,0.82461713,0.648510185,0.648510185,0.198724436,0.476344005,0.652956761,0.800969636,0.836859359,0.836859359,6.784181073,17.29448048,21.77280699,24.4405715,24.61805649,24.61805649,41.99082118,30.36338179,22.97198418,17.86232362,17.33400279,17.33400279,9.090909091,4.792899408,2.844444444,5,6,5,2.67,1.4209,0.25,3.922536693,1.807204007,0,8.364004083,6.883202347,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.151,0.144,0.514,0.649,5.188,13,15,16,16,10,8,4,2,0,106,2.708050201,3.113515309,3.548179572,3.95364468,4.352694369,3.864669309,3.876395828,3.270044111,2.784239339,0,5.839187112,3.231132075,0.428571429,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.272727273,5,0.454545455,0,4,7,0.75,1.5,1.111111111,0.5625,0.191111111,0.152777778,0.060408163,0.027777778,0,0,0,0.136363636,0.085470085,0.046875,0.021234568,0.025462963,0.020136054,0.027777778,0,0,0,0.363320085,30.88786319,46.17985326,61.77572637,5.615975125,30.88786319,0.109408122,0.009946193,-2.433937161,58.8724693,5.352042664,4.482910924,0,167.6464548,4.459431619,3.891820298,4.65396035,5.442417711,6.228511004,7.025538315,7.818832444,8.617762246,9.413526084,10.2126987,85.30506715,3.135494216,0,4.317488114,0,5.720311777,0,7.217443432,0,8.758255243,9.004053938,148.1252005,5.486118537,21.52655437,1.956959488,0,0,0,164,12,4.58,48,1.237974213,2.164430983,2.952596944,3.708573141,4.485638912,5.513154883,6.610249222,7.775499893,8.599688969,0,91.72403858,109.1181174,108.5792508,117.3174906,110.2312149,93.21806878,77.6584239,36.67440266,8.737834373,0,321.3314287,424.4911208,462.5381997,532.1631851,561.1904803,546.5102187,554.3879049,458.7164725,267.3105341,0,9.056988609,15.56025343,20.9562806,26.23402401,31.57611051,38.39376015,45.79140635,53.27499758,57.77670075,0,2.351319141,3.300490727,3.786545727,4.475374504,4.93399741,5.121403371,5.514333388,5.192529726,3.823532693,0,174.2745411,323.9092541,461.3760826,585.4882897,718.824467,914.6972489,1114.365806,1355.339557,1590.234292,0,3.018713816,4.435867548,5.445778674,6.758758305,8.020200055,8.963154401,10.18570305,10.36984981,8.599688969,0,0.484370495,0.688154966,0.797522188,0.947037672,1.051946861,1.104620467,1.200652429,1.153193737,0.88060815,0,310.1511167,183.0872399,11.76730366,81.76649379,-48.26808886,-4.914090142,228.3846229,231.3553287,16.68139381,0.791368156,0.467157471,0.030024942,0.208631844,-0.123158765,-0.01253858,121.5536846,71.75511357,4.611813534,32.04572887,-18.91711405,-1.925918467,0.105091993,0.110548177,1.308890629,1.06036028,391.9176105,0,1,0,788.965793,28.0885349,9.240299714,945.0199318,30.74117649,9.813267923,1394.226474,37.33934217,11.17149018,2.155863452,2.056590322,982.4074397,872.45137,201.7165896,1.126031173,4.870236215,4.325134446,4.861472547,5.282500282,9.005334831,0.704748575,4.870821309,5.849987626,4.94153053,19.20327423,6.745838022,8.655761372,7.042948716,12.63952108,8.161724271,6.165315789,6.482276893,4.050927358,2.344931235,3.311506518,2.735291752,0.12706343,1.99694085,3.97E-11,1.58E-43,1.25E-97,1.96E-173,6.07E-271,0,0,0,0,0,0,0,0,0.408883799,5.667968415,0.378326766,7.180565277,1.557166835,1.411521777,1.247864291,1.789437024,1.922042085,0.631790842,1.414387662,0.877266331,1.007443579,0.207141069,0.171716765,0.004542459,0.014064618,2.80E-13,1.11E-45,8.81E-100,1.38E-175,4.27E-273,0,0,0,0,0,0,0,0,1.319660212,5.680131793,1.244616646,8.451948274,2.005019913,2.383335537,2.194321694,3.371839328,2.882192377,1.399658988,2.207012114,1.241212546,1.153491708,0.678300196,0.592433308,0.018696975,0.14656416,2.92E-12,1.16E-44,9.18E-99,1.44E-174,4.45E-272,0,0,0,0,0,0,0,0,4.597664636,5.830003686,4.639123973,18.04884962,6.211945865,8.032953331,6.604532144,11.75158889,7.668828823,5.698620303,6.086469442,3.756215836,2.218136385,3.063969527,2.542067865,0.115722777,1.779238345,3.54E-11,1.41E-43,1.11E-97,1.75E-173,5.41E-271,0,0,0,0,0,0,0,0,1.944879714,5.695901804,1.858644039,9.675883395,2.49395434,3.200961346,2.914239814,4.645861116,3.634390647,2.034155473,2.82293119,1.575335804,1.291446702,1.049988168,0.91169533,0.03163657,0.318356941,6.34E-12,2.52E-44,2.00E-98,3.13E-174,9.67E-272,0,0,0,0,0,0,0,0,5.882197583,5.934017289,6.087377996,23.95265414,8.968130812,11.16534462,8.761181312,16.1811264,10.11262035,8.038542029,8.044914899,5.256133413,2.865392891,4.293300112,3.491910207,0.173412805,2.912350554,5.80E-11,2.31E-43,1.83E-97,2.86E-173,8.85E-271,0,0,0,0,0,0,0,0,2.721931046,4.561512453,2.60565258,10.30915203,3.047993035,4.412754646,3.919261503,6.015583102,4.749810722,2.958974609,3.660036566,2.176350343,1.71744545,1.539544217,1.427278786,0.052788682,0.604074607,1.20E-11,4.78E-44,3.79E-98,5.94E-174,1.84E-271,0,0,0,0,0,0,0,0,6.61325258,1.800448315,0.675459302,0.727597758,0.198087422,0.513322156,0.48221001,0.407159524,9.089160197,17.589932,34.72166417,0.591396637,1.40269169,5.815893586,1.053856525,0.310394587,0.809996711,0.146773717,0.398315704,0.168818118,0.087003774,7.180144697,8.261450649,17.34404021,0.714995066,0.654137595,6.101518634,1.323068552,0.441659215,0.775658214,0.168195666,0.437759518,0.264336823,0.175226897,7.866246402,11.35186478,22.78350564,0.663487321,0.877323239,6.590056069,1.778944791,0.664897547,0.72948087,0.19691884,0.509759296,0.471119896,0.394622017,9.033898406,17.28787405,34.1165964,0.594221305,1.375501209,6.241082996,1.4538898,0.505592786,0.76105519,0.177291406,0.457740299,0.318016305,0.229150333,8.200565582,12.96436964,25.75260676,0.641582785,1.004906937,6.687232012,1.868943334,0.709121138,0.721750461,0.201714358,0.524773207,0.518308099,0.448416984,9.265296484,18.56542249,36.69335586,0.582625692,1.491498289,6.607372266,1.78309995,0.665057721,0.729650535,0.1969073,0.512455803,0.473470037,0.394677075,9.055529936,17.36175348,34.25273088,0.594475803,1.380602914 +UMLRON0202,L,2-phenylpentane,CCCC(C)C1=CC=CC=C1,17627,,UML,[1],C11H16,PubChem,,100.3,0,1.5751,2.48094001,33.3648,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1106.796102,879.819364,649.875243,461.161346,157.477824,18.289152,0,3399.790734,4147.41404,5063.01831,4820.751333,3821.262689,2804.865983,1749.84433,559.5073998,0,146.842108,144.889944,254.381208,281.6068,291.028332,208.387208,166.033152,120.932352,0,25.74688067,32.32302034,42.78148384,43.2160183,36.40950577,26.7230696,18.69788658,8.003032287,0,3476.407621,2904.481805,5704.188715,6401.130394,7083.449828,5017.946613,4056.482397,3328.517736,0,37.27777778,44.25,63.16666667,69.83333333,60.66666667,45,36,18,0,48.76541633,51.7541979,30.74433617,21.9954841,15.47322007,15.37204487,6.561576,1.016064,0,161.8947969,207.370702,140.6393975,120.5187833,90.98244498,93.49553276,72.9101804,31.08374443,0,6.992481333,7.2444972,7.066144667,7.04017,6.929246,6.946240267,6.918048,6.718464,0,1.226041937,1.616151017,1.188374551,1.080400457,0.866892995,0.890768987,0.779078607,0.444612905,0,165.54322,145.2240902,158.4496865,160.0282598,168.6535673,167.2648871,169.0200999,184.917652,0,1.775132275,2.2125,1.75462963,1.745833333,1.444444444,1.5,1.5,1,0,0.038344619,4.76E-04,-0.010316263,-0.02191026,0.008281992,9.79E-04,-0.008030698,0.011348108,0,564.9747087,-53.80711511,-40.35533633,-269.0355756,40.35533633,-40.35533633,-161.4213453,242.132018,0,1050.594596,-100.0566282,-75.04247115,-500.283141,75.04247115,-75.04247115,-300.1698846,450.2548269,0,0.110674667,-0.010540444,-0.007905333,-0.052702222,0.007905333,-0.007905333,-0.031621333,0.047432,0,4.696646663,-0.447299682,-0.335474762,-2.236498411,0.335474762,-0.335474762,-1.341899046,2.01284857,0,25.51225921,-2.429738973,-1.822304229,-12.14869486,1.822304229,-1.822304229,-7.289216918,10.93382538,0,3.415343915,-0.960380448,0.793272865,-2.174729151,0.137566138,0.676492819,-1.490551776,1.310657596,0,0.001825934,2.38E-05,-2.87E-04,-5.48E-04,1.97E-04,3.26E-05,-3.35E-04,6.30E-04,0,26.90355756,-2.690355756,-1.120981565,-6.725889389,0.960841341,-1.345177878,-6.725889389,13.45177878,0,50.0283141,-5.00283141,-2.084513087,-12.50707852,1.786725503,-2.501415705,-12.50707852,25.01415705,0,0.005270222,-5.27E-04,-2.20E-04,-0.001317556,1.88E-04,-2.64E-04,-0.001317556,0.002635111,0,0.223649841,-0.022364984,-0.009318743,-0.05591246,0.007987494,-0.011182492,-0.05591246,0.111824921,0,1.214869486,-0.121486949,-0.050619562,-0.303717372,0.043388196,-0.060743474,-0.303717372,0.607434743,0,0.162635425,-0.048019022,0.022035357,-0.054368229,0.003275384,0.022549761,-0.062106324,0.072814311,0,0.013041739,-0.156940402,-0.299986981,0.107994187,0.017863802,-0.183255447,0.345275542,0,-0.1,-0.041666667,-0.25,0.035714286,-0.05,-0.25,0.5,0,-0.1,-0.041666667,-0.25,0.035714286,-0.05,-0.25,0.5,0,-0.1,-0.041666667,-0.25,0.035714286,-0.05,-0.25,0.5,0,-0.1,-0.041666667,-0.25,0.035714286,-0.05,-0.25,0.5,0,-0.1,-0.041666667,-0.25,0.035714286,-0.05,-0.25,0.5,0,-0.295255616,0.135489285,-0.33429512,0.020139427,0.138652208,-0.381874516,0.44771495,0,1.314669884,1.34337279,1.43410458,0.783048879,0.819983083,0.850037354,0.005142044,0,1.5,1.130952381,1.285714286,0.816326531,0.928571429,1.071428571,0,0,1.5,1.130952381,1.285714286,0.816326531,0.928571429,1.071428571,0,0,1.5,1.130952381,1.285714286,0.816326531,0.928571429,1.071428571,0,0,1.5,1.130952381,1.285714286,0.816326531,0.928571429,1.071428571,0,0,1.5,1.130952381,1.285714286,0.816326531,0.928571429,1.071428571,0,0,1.732378002,0.783953008,1.494481022,0.766847405,0.666924864,1.46398141,0,0,27.46996575,13.73498287,21.43647608,27.46996575,3.924280821,13.73498602,-1.78E-15,0.149979907,0.021425701,-1.328077764,22.32945086,3.189921552,2.174134532,27.46996575,13.73498287,21.43647608,27.46996575,3.924280821,13.73498602,-1.78E-15,0.149979907,0.021425701,-1.328077764,22.32945086,3.189921552,2.174134532,27.46996575,13.73498287,21.43647608,27.46996575,3.924280821,13.73498602,-1.78E-15,0.149979907,0.021425701,-1.328077764,22.32945086,3.189921552,2.174134532,27.46996575,13.73498287,21.43647608,27.46996575,3.924280821,13.73498602,-1.78E-15,0.149979907,0.021425701,-1.328077764,22.32945086,3.189921552,2.174134532,27.46996575,13.73498287,21.43647608,27.46996575,3.924280821,13.73498602,-1.78E-15,0.149979907,0.021425701,-1.328077764,22.32945086,3.189921552,2.174134532,27.46996575,13.73498287,21.43647608,27.46996575,3.924280821,13.73498602,-1.78E-15,0.149979907,0.021425701,-1.328077764,22.32945086,3.189921552,2.174134532,31.14295081,15.51274524,24.65470725,31.05905058,4.437007226,15.51274575,-0.117460317,0.225980976,0.032282997,-1.041113122,25.33635646,3.619479494,2.262568265,0,11.89,12.11009426,-0.173262199,0.049695005,5.170682588,7.535537531,6,20,19,19,5,1,1,0,0,1,15.304898,3.551708109,3.121012564,2.449816704,2.333552793,1.785646645,1.263120338,0.354660938,0.083923071,1.89134993,1.663300473,1.249629723,1.237218231,0.779837095,0.534644216,0.083923071,0.083923071,3.572450857,3.158467681,2.507764709,2.405454588,1.862613906,1.372451396,0.480308912,0.270913902,1.837564638,1.58646301,1.134540686,1.133192961,0.654022786,0.388244556,0.270913902,0.270913902,3.667432043,3.322322425,2.756181235,2.704236987,2.185361656,1.809140514,0.959218208,0.943918427,1.687130822,1.354751131,0.804115242,0.76031856,0.246263754,0.112197004,0.943918427,0.943918427,3.58793406,3.186036871,2.550194232,2.457539916,1.918586425,1.450684787,0.569017053,0.399277246,1.803979507,1.536999445,1.064920862,1.058262671,0.570740757,0.28942663,0.399277246,0.399277246,3.71591312,3.401211912,2.87199788,2.838982085,2.331794347,1.996434502,1.207644823,1.207644823,1.642782219,1.281002108,0.694469421,0.631337262,0.106310057,0.294665737,1.150770421,1.207644823,3.602435768,3.200142435,2.623310631,2.582900166,1.992454155,1.507816526,0.655608703,0.552631579,1.791535348,1.487296224,0.978868717,0.925005429,0.473312592,0.192860599,0.552631579,0.552631579,0,0,0,1,1,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.288675135,0,0,0,0.288675135,0.204124145,0.204124145,0.204124145,0.144337567,0.144337567,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,5.491563832,2.904030206,2.070149549,0.841260992,0.433012702,0.288675135,0,0,0.784509119,0.484005034,0.345024925,0.210315248,0.144337567,0.144337567,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,3,0,1,0,0,0,0,0,0,0,0,3,0,2,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.696157407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.759305556,0.870833333,0,0.288541667,0,0,0,0,0,0,0,0,6.463055556,0,2.507453704,0,2.263888889,0,0,0,0,1.432268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.432268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.225625,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.134583333,0,1.238425926,0,2.263888889,0,0,0,0,1.432268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.290277778,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.193888889,0,1.269027778,0,2.263888889,0,0,0,0,1.432268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.80952381,0.290277778,2.263888889,0.071597222,1.238425926,4.432571713,0.261574074,0.263888889,1.453888889,0.261574074,0.263888889,1.453888889,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.97598,0.85371,7.02591,1.04993,0.14999,2.67869,0.38267,3.27005,0.59135,0.08448,0.14395,0.02056,0.14395,0.02056,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.006330931,3.141619208,3.141619208,3.141619208,2.723303263,19.28421252,42.13294954,65.97400337,65.97400337,65.97400337,57.18936853,0.209068641,0.456781862,0.715253226,0.715253226,0.715253226,0.620015131,3.474021589,2.385986492,1.250698215,1.250698215,1.250698215,1.66901416,0.209068641,0.456781862,0.715253226,0.715253226,0.715253226,0.620015131,6.73287657,17.06886394,18.21303588,18.21303588,18.21303588,13.19324454,27.64912502,15.92879954,15.95461758,15.95461758,15.95461758,13.44472191,7,4.166666667,6,7,2,6,2.23,1.0519,0.814325285,3.639717277,1.889881575,0,2.381101578,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,3.184,6,4,3,2,0,0,0,0,0,28,2.079441542,2.302585093,2.079441542,1.945910149,1.609437912,0,0,0,0,0,3.713572067,1.428571429,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,0,126.9918924,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,98.10955045,4.671883355,12.67036528,1.810052182,0,0,0,52,4,3.405,24,1.211091709,2.095745587,2.957020586,3.653064715,4.661463461,5.776236379,6.519162723,0,0,0,73.44974185,74.6345705,74.56848369,69.59031166,85.17253059,40.16338728,6.623886553,0,0,0,276.3102126,324.3156655,382.1153501,373.4630752,484.0312066,438.2086384,202.639988,0,0,0,8.808215105,14.87760401,20.8703233,25.42137475,32.52760942,40.04169657,43.79876006,0,0,0,2.093846858,2.672333097,3.347373791,3.429176489,4.47575564,4.636580341,2.898503875,0,0,0,173.7339712,327.0996206,469.5264736,608.0829277,768.4878794,969.8149826,1205.508264,0,0,0,2.772839498,3.863499776,5.307312255,5.53301675,7.366396001,8.868318899,6.519162723,0,0,0,0.43411855,0.563384326,0.712891564,0.737739949,0.963073866,1.01695716,0.667562263,0,0,0,334.2420273,135.4498428,9.145751756,87.80463487,-35.58237152,-5.468064057,246.4373924,171.0322144,14.61381581,0.791955149,0.320935704,0.021670001,0.208044851,-0.084309094,-0.012956065,141.065732,57.16615406,3.859934002,37.05765307,-15.01742113,-2.307778184,0.141013664,0.210477418,1.918499309,1.939434675,422.0466622,0,1,0,395.1754262,19.87901975,7.338319957,535.3768935,23.13821284,8.119947248,605.2819414,24.60247836,8.459004169,1.891755231,1.891755231,536.4238962,474.6192846,77.70814889,1.130219343,6.90305848,6.107715746,4.162148766,4.514655392,7.783860637,0.724131736,5.716167611,5.019327418,2.168056311,15.98092153,7.907465987,5.913547104,4.241355204,8.812742756,6.590269363,2.553182212,3.730297468,2.147093815,5.641192771,0.002957629,0.018711892,1.07E-22,1.17E-64,2.48E-128,1.02E-213,8.004E-321,0,0,0,0,0,0,0,0,0,0,0.479723312,5.011393127,0.177233624,5.879465459,1.141036867,0.330308697,0.652621709,1.212689775,2.210337158,0.135618221,0.196586453,0.211924301,0.160304596,2.10E-05,1.32E-04,7.51E-25,8.25E-67,1.75E-130,7.15E-216,5.9E-323,0,0,0,0,0,0,0,0,0,0,1.54859323,5.011923442,0.575239459,6.738955211,1.79071253,1.175348736,1.271638883,1.996568696,2.838606432,0.334063303,0.71129122,0.600925557,0.723807538,2.18E-04,0.001373347,7.82E-24,8.60E-66,1.82E-129,7.45E-215,5.9E-322,0,0,0,0,0,0,0,0,0,0,5.395596243,5.018456348,2.043220837,14.93713674,7.234450717,5.467519179,3.981495951,8.075973185,6.228113043,2.300808387,3.440877627,2.026498657,5.109223004,0.002635324,0.016671959,9.50E-23,1.04E-64,2.21E-128,9.05E-214,7.134E-321,0,0,0,0,0,0,0,0,0,0,2.28233892,5.012610906,0.850941289,7.685995167,2.45389104,1.8429204,1.730281158,2.762549956,3.348805692,0.557890522,1.125964017,0.869746652,1.275503775,4.72E-04,0.002983093,1.70E-23,1.87E-65,3.96E-129,1.62E-214,1.275E-321,0,0,0,0,0,0,0,0,0,0,6.903099095,5.022990119,2.633625305,20.32857485,10.6931631,7.68332863,5.249095215,11.84893646,8.037923867,3.606115788,4.884875472,2.596016709,7.833873114,0.004312807,0.027289536,1.55E-22,1.71E-64,3.62E-128,1.48E-213,1.1675E-320,0,0,0,0,0,0,0,0,0,0,3.251972469,4.589430371,1.119923768,9.32588441,3.48262905,2.835112484,2.167422949,3.666741853,4.031015951,0.930033808,1.780771392,1.321410858,2.20180032,9.04E-04,0.005714643,3.26E-23,3.58E-65,7.58E-129,3.10E-214,2.446E-321,0,0,0,0,0,0,0,0,0,0,5.992576337,1.338422482,0.375715662,0.777578611,0.17366966,0.598863504,0.52613921,0.476170792,7.70671448,10.77496996,21.49514906,0.666367916,1.601173506,4.763280986,0.714305876,0.080998372,0.856923261,0.128504979,0.37893994,0.150686672,0.022130781,5.558585234,3.846115217,9.68029252,0.785384892,0.551757393,5.251472042,0.96222989,0.198050513,0.81903849,0.150072839,0.460288881,0.272818489,0.132311045,6.411752445,6.283750222,13.69627634,0.728557735,0.865418415,5.962138238,1.322975323,0.368419292,0.779004723,0.172858123,0.592813975,0.514129922,0.45785597,7.653532853,10.57173814,21.13127459,0.668507084,1.564799867,5.469099185,1.072719532,0.25022547,0.805221379,0.157937655,0.499095742,0.338738127,0.211206453,6.792044187,7.503739181,15.76380854,0.707832068,1.049040323,6.087871091,1.38678222,0.398558647,0.773238562,0.176139322,0.618001547,0.564624011,0.535831976,7.873211958,11.4216391,22.65970291,0.659857843,1.718457533,5.970746263,1.324628279,0.368440985,0.779082722,0.172841879,0.594473459,0.515227139,0.45790989,7.663815526,10.59693433,21.17475673,0.668624083,1.567610488 +UMLRON0203,L,2-methyl-2-hexene,CCCC=C(C)C,17656,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C7H14,PubChem,,90.4,0,0.525,0.275625,35.3367,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1912.866323,1536.635695,716.597618,178.815168,18.289152,0,0,3885.475125,5223.921076,7983.759134,8343.0636,5761.955305,2402.602963,559.5073998,0,0,167.819552,174.20624,341.907212,472.656508,511.583816,307.120896,120.932352,0,0,29.42500648,40.12790896,64.52079401,74.29419331,58.99573411,28.03475758,8.003032287,0,0,3973.037281,3464.315612,7410.01833,10647.22523,12550.21632,7939.753089,3328.517736,0,0,37.83333333,45.77777778,75.47222222,104.3333333,101,57,18,0,0,48.76541633,56.15943233,39.85138173,22.93486112,9.683751595,3.9736704,1.016064,0,0,161.8947969,217.6633782,166.3283153,124.5233373,77.86426087,53.39117695,31.08374443,0,0,6.992481333,7.258593333,7.123066917,7.054574746,6.913294811,6.8249088,6.718464,0,0,1.226041937,1.671996207,1.344183209,1.108868557,0.79723965,0.622994613,0.444612905,0,0,165.54322,144.3464838,154.3753819,158.9138094,169.5975178,176.4389575,184.917652,0,0,1.576388889,1.907407407,1.572337963,1.55721393,1.364864865,1.266666667,1,0,0,0.031613547,-0.004458916,0.001436243,-0.019530593,-0.006205393,0.003291683,0.009660203,0,0,645.6853813,5.76E-13,40.35533633,-511.1675936,-215.2284604,121.066009,242.132018,0,0,1200.679538,-5.68E-14,75.04247115,-950.5379679,-400.2265128,225.1274134,450.2548269,0,0,0.126485333,2.94E-15,0.007905333,-0.100134222,-0.042161778,0.023716,0.047432,0,0,5.367596186,1.18E-14,0.335474762,-4.24934698,-1.789198729,1.006424285,2.01284857,0,0,29.15686767,-1.15E-13,1.822304229,-23.08252024,-9.718955891,5.466912688,10.93382538,0,0,2.791666667,-1.347222222,0.555555556,-0.842013889,0.003472222,-0.546875,0.78125,0,0,0.001317231,-1.86E-04,2.99E-05,-2.92E-04,-8.39E-05,7.31E-05,5.37E-04,0,0,26.90355756,2.40E-14,0.840736174,-7.629367068,-2.908492709,2.690355756,13.45177878,0,0,50.0283141,-2.37E-15,1.563384816,-14.18713385,-5.408466389,5.00283141,25.01415705,0,0,0.005270222,1.22E-16,1.65E-04,-0.001494541,-5.70E-04,5.27E-04,0.002635111,0,0,0.223649841,4.93E-16,0.006989058,-0.063423089,-0.024178361,0.022364984,0.111824921,0,0,1.214869486,-4.81E-15,0.037964671,-0.344515227,-0.131337242,0.121486949,0.607434743,0,0,0.116319444,-0.056134259,0.011574074,-0.012567371,4.69E-05,-0.012152778,0.043402778,0,0,-0.141044462,0.022715624,-0.221298593,-0.063661312,0.055532024,0.407428825,0,0,8.91E-16,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,-4.73E-17,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,2.32E-14,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,2.20E-15,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,-3.96E-15,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,-0.482587065,0.099502488,-0.10804188,4.03E-04,-0.104477612,0.373134328,0,0,1.579552337,1.033206363,1.301947932,0.935283409,0.71234121,1.65E-08,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,2.021558872,0.691334992,1.127199822,0.9370714,1.098507463,0,0,0,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,1.78E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,1.78E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,1.78E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,1.78E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,1.78E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,1.78E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,37.20496431,18.47227382,26.04610392,37.00965181,4.626206476,18.47227385,-0.260416667,0.005144078,6.43E-04,-4.215927241,28.64086191,3.580107739,2.683867549,0,11.89,12.11011416,-0.161880726,0.059276977,5.973360367,8.397172559,8,24,24,24,8,0,0,0,0,0,17.491312,3.709959766,2.974675559,2.789753075,2.259537733,2.158317772,1.617870431,0.918016251,0.809020034,1.845648904,1.813613019,1.410733491,1.157249124,1.096183233,0.563489532,0.402453794,0.276394959,3.731262013,3.013413722,2.836186318,2.330024954,2.225457131,1.699767002,1.045547554,0.94155887,1.787821245,1.752615835,1.310905386,1.043257925,0.981528758,0.42111061,0.249176885,0.109489703,3.825638152,3.185923174,3.040102369,2.62464957,2.50910004,2.040789505,1.545899363,1.459674177,1.621444011,1.575108587,0.997363948,0.673418052,0.610271012,0.054593717,0.26888121,0.473701747,3.746988301,3.042112654,2.870443191,2.38119944,2.2743801,1.759183913,1.136224802,1.035689916,1.751312057,1.713926185,1.245574763,0.967752621,0.905628807,0.325740607,0.146064012,0.003994699,3.872123288,3.270309035,3.138028166,2.758192334,2.639170421,2.194280813,1.75665822,1.676939727,1.570816098,1.5204722,0.893609066,0.546446869,0.483241901,0.222854153,0.454365585,0.692822975,3.713827145,3.143134573,3.000480537,2.547995964,2.352058575,1.828505304,1.260306994,1.164918264,1.742149051,1.699539474,1.059598102,0.791295033,0.753238401,0.201557105,0.011910874,0.171137606,0,0,0,0,0,3,2,3,0,0,0,0.096225045,0.288675135,0.288675135,0,0,0.096225045,0.288675135,0.288675135,0.760079655,0,0.166666667,0,0.760079655,0,0.166666667,0,1.410236714,1.743689791,1.619316155,1.410236714,1.743689791,1.619316155,6.14626437,3.698377303,3.531144005,2.519712423,1.830194132,0.849515796,0.096225045,0,0.768283046,0.462297163,0.321013091,0.209976035,0.140784164,0.106189475,0.096225045,0,6.14626437,3.698377303,3.531144005,2.519712423,1.830194132,0.849515796,0.096225045,0,0.768283046,0.462297163,0.321013091,0.209976035,0.140784164,0.106189475,0.096225045,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.6885,36.726,27.25514403,36.68482962,54.51028806,6.813786007,27.25514403,3.33E-16,4.16E-17,-28.51055062,3000014.366,375001.7957,11.93130211,51,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,7.099537037,0,2.918981481,0,0,0,2.981481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.361111111,0,1.459490741,0,0,0,0.990740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.369212963,0,1.459490741,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13,1.625,0.2,2.369212963,0.2,0.990740741,5.741078704,0.342592593,0.369212963,2.199074074,0.342592593,0.369212963,2.199074074,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.375,0.375,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.75603,1.0945,8.75603,0,0,3.69836,0.46229,3.69836,0,0,0.21564,0.02696,0.30164,0.03771,0.208333333,8,0,0,0,0,0,0,1,0.918295834,1.438721876,2.5,2.729573959,2.677694271,2.344360938,22.03910002,34.52932501,60,65.509775,64.26466251,56.26466251,0.200284263,0.313791416,0.54526073,0.595331796,0.584016613,0.511315182,3.666666667,3.146240625,2.084962501,1.855388542,1.90726823,2.240601563,0.200284263,0.313791416,0.54526073,0.595331796,0.584016613,0.511315182,6.73287657,12.97798907,15.30933029,16.80245923,12.3946273,16.41423191,31.59900002,23.32456251,22.69022552,20.3349625,26.92932344,20.36340886,6.125,2.082644628,1.25,0,0,0,2.34,1.1272,0.825481812,2.620741394,4.734706513,0,0.5,4.762203156,0,1.889881575,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.124,0.16,0.203,3.438,11,12,13,8,1,0,0,0,0,61,2.197224577,2.48490665,2.564949357,2.63905733,2.197224577,0.693147181,0,0,0,0,4.127134385,1,0.25,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.375,0,3,4,0.333333333,2.5,1.111111111,0.916666667,0,0,0,0,0,0,0,0.3125,0.101010101,0.130952381,0,0,0,0,0,0,0,0.544462482,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,0,134.567877,4,3.663561646,4.442651256,5.283203729,6.084499413,6.922643891,7.732369222,8.566554621,9.380842352,10.21181748,78.28814361,2.833213344,0,4.110873864,2.397895273,5.549076085,4.727387819,7.053585727,6.741700695,8.593598523,8.969669104,112.1252005,4.671883355,15.32137541,1.915171927,0,0,0,59,7,4.369,38,1.331436567,2.358322804,3.280080998,4.00340916,4.799984976,5.619328694,0,0,0,0,94.01800751,110.9041004,85.50094101,44.06872821,20.61558757,5.70959759,0,0,0,0,334.770918,438.8259865,438.4260969,333.1830299,267.90744,174.669777,0,0,0,0,9.725938808,16.89693793,23.21009852,27.75087342,32.81495763,37.75325754,0,0,0,0,2.47012952,3.448890272,3.822102873,3.341918314,3.083368986,2.498426054,0,0,0,0,188.3541604,357.0920356,516.1407297,673.2619007,842.4837452,1039.113068,0,0,0,0,2.586701911,3.87763844,5.246144477,5.609323417,6.219014962,5.619328694,0,0,0,0,0.509638069,0.720684386,0.812995007,0.728255121,0.686776988,0.575419258,0,0,0,0,332.5386296,134.8295633,8.315369446,36.35464109,-14.74018338,-2.096833848,296.1839885,149.5697466,10.41220329,0.901449433,0.365497487,0.022541396,0.098550567,-0.039957854,-0.005684121,122.6712627,49.73771857,3.067483832,13.41098245,-5.437554456,-0.773507896,0.07369617,0.153662443,0.859173496,1.502900229,368.8932707,0,1,0,402.4237007,20.06050101,7.38291469,557.416278,23.60966493,8.229874559,681.5253388,26.10604027,8.800229586,1.147602239,1.09631797,486.1121957,393.3032997,217.6161659,1.235972838,2.233805535,1.807325748,4.406842126,3.964631517,7.232820171,0.824336042,4.462408855,4.441365945,2.8488998,11.92055896,14.22342148,8.400480465,9.460871831,9.98700655,5.738408828,7.601061573,2.741632412,0.846873884,0.004424831,7.94E-04,2.75E-26,1.83E-70,2.36E-136,5.86E-224,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,4.441098491,0.752159305,3.925034848,1.514589699,3.148635846,0.402904979,0.508400938,0.788052458,0.324553431,0.029209755,0.005980492,3.12E-05,5.59E-06,1.94E-28,1.29E-72,1.66E-138,4.13E-226,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,4.441116993,1.028085104,4.977492577,3.264153374,3.923593942,1.464765901,1.687708671,1.350857927,1.254173586,0.226655871,0.062196575,3.25E-04,5.83E-05,2.02E-27,1.35E-71,1.73E-137,4.30E-225,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,4.441336804,2.666743772,11.22603571,13.14661154,7.973877956,8.627912695,9.139470105,5.276981519,6.959021218,2.449562004,0.754560325,0.003942445,7.07E-04,2.45E-26,1.63E-70,2.10E-136,5.22E-224,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,4.44114041,1.262650356,5.872066815,4.715947225,4.543780265,2.427395498,2.721583441,1.870128075,2.05731869,0.467964693,0.135060172,7.05E-04,1.27E-04,4.38E-27,2.92E-71,3.76E-137,9.35E-225,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,4.441488339,3.584421853,14.72487689,18.54961123,10.09931746,12.86108877,13.42850959,7.626683751,10.20144728,3.96612146,1.235034142,0.0064532,0.001157883,4.01E-26,2.67E-70,3.44E-136,8.55E-224,0,0,0,0,0,0,0,0,0,0,0,0,2.957336046,4.08214555,1.444115354,7.239517968,7.71423816,5.624936709,4.607457334,4.607895015,3.553642614,4.076699998,1.087018147,0.320787906,0.001675676,3.01E-04,1.04E-26,6.95E-71,8.94E-137,2.22E-224,0,0,0,0,0,0,0,0,0,0,0,0,3.766643198,2.00113878,1.098754395,0.54855068,0.291433508,0.525790248,0.508395372,0.481672466,6.866536373,13.87495157,29.02343245,0.32282602,1.515858086,2.95103871,1.385439963,0.563361683,0.60227242,0.282752062,0.319356509,0.236375124,0.128229084,4.899840356,6.531492884,13.73463013,0.40340863,0.683960717,3.274459426,1.630201015,0.776287736,0.576393117,0.286959318,0.394862431,0.331783922,0.242419335,5.680948177,9.14545483,18.97024797,0.364589675,0.969065688,3.746403149,1.9859162,1.085527173,0.549499484,0.291282034,0.520022779,0.500388165,0.47031854,6.817846521,13.66263112,28.55684616,0.324249227,1.490729484,3.418849765,1.739197665,0.871072653,0.567056174,0.288466251,0.431261222,0.379673948,0.304550457,6.029120083,10.43908959,21.64765603,0.350584261,1.115485627,3.830023136,2.048791229,1.140156935,0.545667303,0.291893376,0.544063961,0.533880616,0.518050575,7.018971301,14.54968878,30.51537784,0.318500954,1.595995151,3.761859357,1.991933456,1.087831177,0.54984889,0.291149215,0.524440735,0.503644191,0.471517453,6.84162399,13.75252872,28.74567804,0.324773335,1.49960238 +UMLRON0204,L,"1,2,4-trimethylcyclopentane",CC1CC(C(C1)C)C,17779, (cis)(cis)(trans) reported,UML,[1],C8H16,PubChem,,89.2,0,1.3988,1.95664144,39.1434,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,2227.640869,1967.400801,1205.016461,357.373296,36.578304,0,0,4371.159516,5876.91121,9122.433659,10473.68557,7967.307003,4030.400975,1119.0148,0,0,188.796996,195.98202,384.660436,552.993732,683.209076,393.729984,241.864704,0,0,33.10313229,45.14389758,73.21490844,91.90068631,79.15071224,43.40408352,16.00606457,0,0,4469.666941,3897.355064,8339.687441,12183.53156,16903.40242,9681.838349,6657.035473,0,0,42.34027778,51.25,86.125,126.875,129.9166667,79.5,36,0,0,48.76541633,56.15943233,41.25260869,25.22308719,12.17188344,6.269706947,1.016064,0,0,161.8947969,217.6633782,168.9339566,134.2780201,80.47784852,70.70878903,31.08374443,0,0,6.992481333,7.258593333,7.123341407,7.089663231,6.901101778,6.907543579,6.718464,0,0,1.226041937,1.671996207,1.355831638,1.178213927,0.799502144,0.761475149,0.444612905,0,0,165.54322,144.3464838,154.4386563,156.1991226,170.7414386,169.8568131,184.917652,0,0,1.568158436,1.898148148,1.594907407,1.626602564,1.312289562,1.394736842,1,0,0,0.035371514,-0.005246614,0.009031819,-0.036160978,0.010991017,-0.017456144,0.021155143,0,0,726.396054,6.89E-13,121.066009,-766.7513903,121.066009,-322.8426907,484.264036,0,0,1350.764481,-6.39E-13,225.1274134,-1425.806952,225.1274134,-600.3397692,900.5096538,0,0,0.142296,2.05E-15,0.023716,-0.150201333,0.023716,-0.063242667,0.094864,0,0,6.038545709,1.66E-14,1.006424285,-6.374020471,1.006424285,-2.683798093,4.025697139,0,0,32.80147613,-1.98E-13,5.466912688,-34.62378036,5.466912688,-14.57843384,21.86765075,0,0,3.019032922,-1.547067901,1.850823045,-3.201331733,2.063957476,-2.215334934,1.539437586,0,0,0.001310056,-1.94E-04,1.67E-04,-4.64E-04,1.11E-04,-3.06E-04,5.88E-04,0,0,26.90355756,2.55E-14,2.24196313,-9.83014603,1.22288898,-5.663906854,13.45177878,0,0,50.0283141,-2.37E-14,4.169026175,-18.2795763,2.274014277,-10.53227665,25.01415705,0,0,0.005270222,7.59E-17,4.39E-04,-0.001925658,2.40E-04,-0.00110952,0.002635111,0,0,0.223649841,6.15E-16,0.018637487,-0.081718211,0.010165902,-0.047084177,0.111824921,0,0,1.214869486,-7.34E-15,0.101239124,-0.44389462,0.05522134,-0.255761997,0.607434743,0,0,0.111816034,-0.057298811,0.034274501,-0.041042715,0.020848055,-0.038865525,0.042762155,0,0,-0.148328782,0.127670798,-0.353879718,0.084744747,-0.233767198,0.448563121,0,0,9.49E-16,0.083333333,-0.365384615,0.045454545,-0.210526316,0.5,0,0,-4.73E-16,0.083333333,-0.365384615,0.045454545,-0.210526316,0.5,0,0,1.44E-14,0.083333333,-0.365384615,0.045454545,-0.210526316,0.5,0,0,2.75E-15,0.083333333,-0.365384615,0.045454545,-0.210526316,0.5,0,0,-6.04E-15,0.083333333,-0.365384615,0.045454545,-0.210526316,0.5,0,0,-0.512438235,0.306525814,-0.367055716,0.186449604,-0.347584543,0.382433123,0,0,1.594163625,0.946088537,1.512466344,0.733860973,1.160776151,0.002220816,0,0,1.444444444,1.12345679,1.5,0.765993266,1.026315789,0,0,0,1.444444444,1.12345679,1.5,0.765993266,1.026315789,0,0,0,1.444444444,1.12345679,1.5,0.765993266,1.026315789,0,0,0,1.444444444,1.12345679,1.5,0.765993266,1.026315789,0,0,0,1.444444444,1.12345679,1.5,0.765993266,1.026315789,0,0,0,2.051116033,0.518316579,1.570667916,0.585069471,1.529768364,0,0,0,37.26579663,18.63289832,26.56578181,37.26579663,4.14064407,18.63289835,1.78E-14,0.040935541,0.004548393,-2.876180948,151.3799242,16.81999158,4.517813458,37.26579663,18.63289832,26.56578181,37.26579663,4.14064407,18.63289835,1.78E-14,0.040935541,0.004548393,-2.876180948,151.3799242,16.81999158,4.517813458,37.26579663,18.63289832,26.56578181,37.26579663,4.14064407,18.63289835,1.78E-14,0.040935541,0.004548393,-2.876180948,151.3799242,16.81999158,4.517813458,37.26579663,18.63289832,26.56578181,37.26579663,4.14064407,18.63289835,1.78E-14,0.040935541,0.004548393,-2.876180948,151.3799242,16.81999158,4.517813458,37.26579663,18.63289832,26.56578181,37.26579663,4.14064407,18.63289835,1.78E-14,0.040935541,0.004548393,-2.876180948,151.3799242,16.81999158,4.517813458,37.26579663,18.63289832,26.56578181,37.26579663,4.14064407,18.63289835,1.78E-14,0.040935541,0.004548393,-2.876180948,151.3799242,16.81999158,4.517813458,45.6862744,22.71157856,32.8792114,45.48162762,5.053514181,22.71157856,-0.263117284,0.031306351,0.003478483,-3.117540876,79.93027067,8.881141185,3.943039174,0,11.89,12.11013444,-0.157935343,0.063628452,6.154742701,9.387512086,9,27,27,27,9,0,0,0,0,0,19.677726,3.702327045,3.134560525,2.872109862,2.333552793,2.213904169,2.138505448,1.363659738,0.985053997,2.027975054,1.637336379,1.473290534,1.249629723,1.107110848,1.03149125,0.615895756,0.369439726,3.723573504,3.167277911,2.913066305,2.405454588,2.282930296,2.206258737,1.467869728,1.103775667,1.978762806,1.562833771,1.387819799,1.134540686,0.993793989,0.916700275,0.468261143,0.210799996,3.818092444,3.314239162,3.093860946,2.704236987,2.572298149,2.49301214,1.891746139,1.580378256,1.837193559,1.344032908,1.129862915,0.76031856,0.626976964,0.547624056,0.030782394,0.333757852,3.739281482,3.191571739,2.943316569,2.457539916,2.333098509,2.255671592,1.542948602,1.18898894,1.947715903,1.51533537,1.332737018,1.058262671,0.918800914,0.840909783,0.368977381,0.103539872,3.864835177,3.387099801,3.181518911,2.838982085,2.703823838,2.624573297,2.076682744,1.784720468,1.793964323,1.276605555,1.048070909,0.631337262,0.501372766,0.422359982,0.210009301,0.532992355,3.717767761,3.263168154,2.989369958,2.685036975,2.457380692,2.341000077,1.648681261,1.301797042,1.95698056,1.429116296,1.262112906,0.833608404,0.76467288,0.718377056,0.224963135,0.047485937,0,0,0,0,0,3,4,1,1,0,0,0,0.072168784,0.216506351,0,0,0,0.072168784,0.216506351,1.495781916,0.25,0,0,1.495781916,0.25,0,0,1.444814383,2.430412943,2.198259192,1.444814383,2.430412943,2.198259192,6.905777394,4.100953631,4.365737948,2.451524386,2.076524386,1.045385138,0.637136847,0,0.767308599,0.455661515,0.335825996,0.204293699,0.14832317,0.087115428,0.079642106,0,6.905777394,4.100953631,4.365737948,2.451524386,2.076524386,1.045385138,0.637136847,0,0.767308599,0.455661515,0.335825996,0.204293699,0.14832317,0.087115428,0.079642106,0,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.2227,41.413,35.38050655,47.99921715,70.7610131,7.862334788,35.38050655,0.102065305,0.011340589,-2.05392818,36.32784657,4.036427397,3.233326113,61,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,4,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,7.158958333,0,5.793587963,0,0,0,0.980324074,0,0,0,0,0,0.650462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.375902778,0,1.4375,0,0,0,0.980324074,0,0,0,0,0,0.650462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.391527778,0,1.461736111,0,0,0,0.980324074,0,0,0,0,0,0.650462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.58333333,1.62037037,0.2,2.391527778,0,0.650462963,6.461180556,0.599537037,0.391527778,2.317916667,0.599537037,0.391527778,2.317916667,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.33333,0.11111,0.11111,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,10.70711,1.18968,10.70711,0,0,4.10095,0.45566,4.10095,0,0,0.31305,0.03478,0.39905,0.04434,0.222222222,9,0,0,0,0,0,0,1,0.918295834,1.50253426,2.735282872,3.531941206,3.319521298,3.380094336,24.79398752,40.56842503,73.85263755,95.36241255,89.62707506,91.26254708,0.193126721,0.315997857,0.575257116,0.742802265,0.698128252,0.710867362,3.836591668,3.252353242,2.01960463,1.222946297,1.435366204,1.374793166,0.193126721,0.315997857,0.575257116,0.742802265,0.698128252,0.710867362,6.73287657,13.74373769,19.36463649,19.04596554,19.13921142,19.20025844,35.54887502,25.26783891,19.82489723,19.03080047,19.01988474,18.94948326,7.111111111,2.319526627,2,0,0,0,2.45,1.2681,0.944940787,4.559014114,1.44224957,2.080083823,3.532775529,2.555772417,2.555772417,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.14,0.131,0.159,0.212,3.981,13,12,14,12,8,0,0,0,0,77,2.302585093,2.63905733,2.564949357,2.708050201,2.564949357,2.197224577,0,0,0,0,4.356708827,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,1,3,4,0.333333333,3.5,1.111111111,0.8125,0.333333333,0,0,0,0,0,0,0.388888889,0.085470085,0.090277778,0.066666667,0,0,0,0,0,0,0.631303419,18.63289832,26.56578181,37.26579663,4.14064407,18.63289835,0.040935541,0.004548393,-2.876180948,151.3799242,16.81999158,4.517813458,0,151.8638616,4.169925001,3.80666249,4.553876892,5.433722004,6.196444128,7.079184395,7.845807503,8.728911725,9.496646498,10.37975279,81.52100842,2.944438979,0,4.262679877,0,5.765191103,0,7.351799869,0,8.974491448,9.197457746,126.1408506,4.671883355,17.31070842,1.923412046,0,0,0,82,9,5.036,44,1.22699952,2.101172724,2.851153273,3.449092637,4.39090722,5.081642749,0,0,0,0,78.95148878,96.11301604,78.01325728,48.23866431,28.74304707,5.163274258,0,0,0,0,290.5400635,380.8358273,400.1141246,300.4316669,319.6272625,157.9564845,0,0,0,0,8.938429587,15.02170656,20.25224155,23.87444522,30.3740515,34.14083387,0,0,0,0,2.17886504,3.003514014,3.464195772,2.912249233,3.416747076,2.259363944,0,0,0,0,175.1121323,320.6583748,442.5861585,583.4356665,742.3471584,939.6854456,0,0,0,0,2.370754847,3.459590849,4.702065642,4.680269642,6.235653407,5.081642749,0,0,0,0,0.45089223,0.628172265,0.735586555,0.632159016,0.750876895,0.520360218,0,0,0,0,341.2768386,155.5926799,8.543052892,85.28874276,-38.88427972,-4.639090627,255.9880959,194.4769597,13.18214352,0.800057139,0.364756761,0.020027525,0.199942861,-0.091156627,-0.010875445,145.5769531,66.37048198,3.644172324,36.38124214,-16.58669538,-1.97887639,0.065428557,0.136863314,1.107271469,1.136299994,426.5655814,0,1,0,620.8036052,24.91593075,8.530701456,795.1702547,28.19876335,9.264458536,1127.442018,33.57740339,10.40793901,1.43477219,1.43477219,424.0808255,358.6093695,200.2281206,1.1825704,2.117988343,1.791004023,3.944190756,3.780722771,6.119384403,0.618575276,5.020831515,7.435097347,10.32718377,12.81759536,23.63518532,10.04274865,12.9221206,11.02192452,8.520228211,2.913577728,2.880681944,5.11E-07,2.09E-34,1.66E-83,2.53E-154,7.43E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.4219314,6.525995987,0.653282881,5.42740303,1.62196732,2.533935239,2.068340722,0.510141481,0.248409475,0.059446752,0.020288878,3.60E-09,1.48E-36,1.17E-85,1.78E-156,5.23E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.36066474,6.586744756,2.207653281,6.399880166,4.779966402,3.672321376,3.277620945,1.66240059,1.109371546,0.31384902,0.211425757,3.75E-08,1.54E-35,1.22E-84,1.85E-155,5.45E-248,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.739290068,7.335286269,9.5862737,12.17554743,21.81514292,9.443566142,11.90169704,10.02696164,7.721093966,2.622748288,2.56663575,4.55E-07,1.87E-34,1.48E-83,2.25E-154,6.62E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.005075814,6.665507989,3.39946937,7.226610273,7.344332176,4.570870362,4.406517786,2.748357281,1.946094664,0.58593363,0.459244995,8.15E-08,3.34E-35,2.64E-84,4.03E-155,1.18E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.063252857,7.854789284,13.23925616,15.41011554,30.91036804,12.41964166,17.10445892,15.10485689,11.81144626,4.122212875,4.201203885,7.45E-07,3.06E-34,2.42E-83,3.68E-154,1.08E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.328795837,6.042917589,5.494572983,9.470744773,12.21197326,6.199259332,7.062468505,5.491745353,4.097918346,1.30252193,1.097151811,1.95E-07,7.98E-35,6.31E-84,9.62E-155,2.83E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.116506289,1.589860268,1.08648616,0.537991632,0.274452044,0.549593667,0.483751445,0.472641468,5.792852716,10.06821165,21.24439634,0.306987448,1.50598658,2.308814054,1.05581273,0.535231275,0.59202515,0.270731066,0.302502323,0.213609786,0.115850744,3.89985806,4.238528755,9.443106858,0.388037726,0.631962853,2.629514778,1.267894814,0.754284501,0.565281105,0.27256625,0.391868909,0.307898939,0.229191237,4.651694093,6.273703799,13.44014331,0.347921658,0.928959085,3.09650187,1.576636147,1.072849485,0.538898121,0.274389067,0.542591754,0.475752865,0.460968076,5.745987502,9.895630492,20.87933009,0.308347182,1.479312695,2.772504063,1.362438306,0.851875989,0.555966523,0.273207927,0.435426074,0.355449821,0.291817714,4.986818358,7.299823859,15.50448939,0.333949784,1.082693609,3.179137104,1.631262408,1.129175677,0.535246546,0.274642943,0.571805341,0.509222862,0.510107975,5.939575189,10.61779297,22.41328096,0.302869819,1.591136179,3.109938526,1.578159769,1.077831499,0.539364619,0.273704298,0.547210598,0.476664351,0.465036709,5.765929794,9.960959877,21.01686496,0.309046928,1.488911659 +UMLRON0205,L,"1,1,3-Trimethylcyclohexane",CC1CCCC(C1)(C)C,18309,Sandia value from co-optima databse because UML has reliable source and Ron values match with sandia's we should just use UML sensitivity ,"Sandia, UML",[1],C9H18,PubChem,,81.3,0,0.8973,0.80514729,39.568,30.93586,0,0,30,10,20,0,10,0,0,0,0,0,0,0,0,0,1462.96249,1684.78297,2421.349406,2285.223539,1611.567391,866.958123,218.184624,18.289152,0,4856.843906,6529.901345,10035.98077,11705.61132,9868.455737,6371.974673,2840.064045,559.5073998,0,209.77444,217.7578,427.389944,615.902348,749.311036,559.435116,348.629184,120.932352,0,36.7812581,50.1598862,80.90259859,101.9286395,94.53011662,64.45231154,32.70922922,8.003032287,0,4966.296601,4330.394515,9263.88964,13667.95363,18133.46365,13786.51659,8953.873689,3328.517736,0,46.59027778,56.5,95.58333333,139.5833333,148.0416667,108.5,61.5,18,0,48.76541633,56.15943233,40.35582343,26.26693723,14.92192029,10.7031867,4.278129882,1.016064,0,161.8947969,217.6633782,167.2663462,134.5472566,91.37459016,78.66635399,55.6875303,31.08374443,0,6.992481333,7.258593333,7.123165733,7.079337333,6.938065148,6.90660637,6.835866353,6.718464,0,1.226041937,1.671996207,1.348376643,1.171593557,0.875278858,0.79570755,0.641357436,0.444612905,0,165.54322,144.3464838,154.3981607,157.1029153,167.9024412,170.2039085,175.5661508,184.917652,0,1.553009259,1.883333333,1.593055556,1.60440613,1.370756173,1.339506173,1.205882353,1,0,0.039591661,-0.005542657,0.006021164,-0.027834067,-0.001659222,-0.003713908,0.001711852,0.011221008,0,807.1067267,-5.90E-13,80.71067267,-645.6853813,-80.71067267,-80.71067267,80.71067267,242.132018,0,1500.849423,5.26E-13,150.0849423,-1200.679538,-150.0849423,-150.0849423,150.0849423,450.2548269,0,0.158106667,3.66E-15,0.015810667,-0.126485333,-0.015810667,-0.015810667,0.015810667,0.047432,0,6.709495232,1.85E-14,0.670949523,-5.367596186,-0.670949523,-0.670949523,0.670949523,2.01284857,0,36.44608459,-3.02E-13,3.644608459,-29.15686767,-3.644608459,-3.644608459,3.644608459,10.93382538,0,3.190046296,-1.534027778,1.96712963,-2.374513889,0.079953704,-0.441597222,-0.032106481,0.740138889,0,0.001319722,-1.85E-04,1.00E-04,-3.20E-04,-1.54E-05,-4.59E-05,3.36E-05,6.23E-04,0,26.90355756,-1.97E-14,1.345177878,-7.42167105,-0.747321043,-0.996428058,1.582562209,13.45177878,0,50.0283141,1.75E-14,2.501415705,-13.80091423,-1.389675392,-1.852900522,2.942842006,25.01415705,0,0.005270222,1.22E-16,2.64E-04,-0.001453854,-1.46E-04,-1.95E-04,3.10E-04,0.002635111,0,0.223649841,6.16E-16,0.011182492,-0.061696508,-0.006212496,-0.008283327,0.013155873,0.111824921,0,1.214869486,-1.01E-14,0.060743474,-0.33513641,-0.033746375,-0.044995166,0.071462911,0.607434743,0,0.106334877,-0.051134259,0.032785494,-0.027293263,7.40E-04,-0.005451818,-6.30E-04,0.041118827,0,-0.139995568,0.076040814,-0.242423629,-0.011641214,-0.034742706,0.02543393,0.472364097,0,-7.31E-16,0.05,-0.275862069,-0.027777778,-0.037037037,0.058823529,0.5,0,3.50E-16,0.05,-0.275862069,-0.027777778,-0.037037037,0.058823529,0.5,0,2.32E-14,0.05,-0.275862069,-0.027777778,-0.037037037,0.058823529,0.5,0,2.76E-15,0.05,-0.275862069,-0.027777778,-0.037037037,0.058823529,0.5,0,-8.29E-15,0.05,-0.275862069,-0.027777778,-0.037037037,0.058823529,0.5,0,-0.480879472,0.308323053,-0.25667273,0.006962081,-0.051270267,-0.005920342,0.386691822,0,1.592376473,1.010287865,1.369226645,0.902900783,0.914858428,0.702183855,0.003362329,0,1.45,1.16,1.4,0.90625,0.859259259,0.639705882,0,0,1.45,1.16,1.4,0.90625,0.859259259,0.639705882,0,0,1.45,1.16,1.4,0.90625,0.859259259,0.639705882,0,0,1.45,1.16,1.4,0.90625,0.859259259,0.639705882,0,0,1.45,1.16,1.4,0.90625,0.859259259,0.639705882,0,0,2.024381395,0.536608374,1.507147522,0.874765176,0.975013908,0.735283447,0,0,46.75454929,23.37727465,34.54807559,46.75454929,4.675454929,23.37727465,-7.11E-15,0.032427167,0.003242717,-3.428758735,56.28586604,5.628586604,4.030443456,46.75454929,23.37727465,34.54807559,46.75454929,4.675454929,23.37727465,-7.11E-15,0.032427167,0.003242717,-3.428758735,56.28586604,5.628586604,4.030443456,46.75454929,23.37727465,34.54807559,46.75454929,4.675454929,23.37727465,-7.11E-15,0.032427167,0.003242717,-3.428758735,56.28586604,5.628586604,4.030443456,46.75454929,23.37727465,34.54807559,46.75454929,4.675454929,23.37727465,-7.11E-15,0.032427167,0.003242717,-3.428758735,56.28586604,5.628586604,4.030443456,46.75454929,23.37727465,34.54807559,46.75454929,4.675454929,23.37727465,-7.11E-15,0.032427167,0.003242717,-3.428758735,56.28586604,5.628586604,4.030443456,46.75454929,23.37727465,34.54807559,46.75454929,4.675454929,23.37727465,-7.11E-15,0.032427167,0.003242717,-3.428758735,56.28586604,5.628586604,4.030443456,58.38107682,28.98180038,43.82664094,58.22116015,5.822116015,28.98180038,-0.266527778,0.019442213,0.001944221,-3.940308655,66.88663106,6.688663106,4.202999112,0,11.9,12.10017173,-0.151272548,0.048925288,6.7401875,9.697515466,10,30,30,30,10,0,0,0,0,0,21.86414,3.699883729,3.305544835,2.750129472,2.609847324,2.333552793,2.333552793,1.456797487,1.414677185,2.026690222,1.763079672,1.372874417,1.258535837,1.249629723,1.249629723,0.666206401,0.596694874,3.721112863,3.335935477,2.792995694,2.65422722,2.405454588,2.405454588,1.556142907,1.507653653,1.977201716,1.69575075,1.285229005,1.167279261,1.134540686,1.134540686,0.522081792,0.451765332,3.815779896,3.47075498,2.981537655,2.850423472,2.704236987,2.704236987,1.9628467,1.897569043,1.834946156,1.49784449,1.018928274,0.889438056,0.76031856,0.76031856,0.037619229,0.029338073,3.736821497,3.358397381,2.824624264,2.687042256,2.457539916,2.457539916,1.62787375,1.575377386,1.94598469,1.652853316,1.228596505,1.10824622,1.058262671,1.058262671,0.425347018,0.354859494,3.862697486,3.536909776,3.072480534,2.945335426,2.838982085,2.838982085,2.141548494,2.072855649,1.791584114,1.436442398,0.933903671,0.80075203,0.631337262,0.631337262,0.135164289,0.197637851,3.720348292,3.412472262,2.83592018,2.706255548,2.692371696,2.692371696,1.73278488,1.661019947,1.954326924,1.574916332,1.178380734,1.043949962,0.827086722,0.827086722,0.281516034,0.220324498,0,0,0,0,0,3,5,1,1,0,0,0,0.102062073,0.051031036,0,0,0,0.102062073,0.051031036,1.510362971,0.288675135,0.433012702,0.144337567,1.510362971,0.288675135,0.433012702,0.144337567,1.861881719,2.103152481,2.150556853,1.861881719,2.103152481,2.150556853,7.612884175,4.605171716,4.70095927,2.829916587,1.968614081,1.369082439,0.535074775,0.306186218,0.761288418,0.460517172,0.335782805,0.202136899,0.140615291,0.097791603,0.066884347,0.051031036,7.612884175,4.605171716,4.70095927,2.829916587,1.968614081,1.369082439,0.535074775,0.306186218,0.761288418,0.460517172,0.335782805,0.202136899,0.140615291,0.097791603,0.066884347,0.051031036,15.41827804,28.87836854,27.25490196,27.6,17.98554491,230.2825509,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.6128,46.03,40.42054828,58.46993254,80.84109655,8.084109655,40.42054828,0.278590457,0.027859046,-1.278012472,37.98302013,3.798302013,3.637139221,78,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,3,0,5,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,7.133888889,0,7.378425926,0,0,0,1.001157407,0,0,0,0,0,0.569861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.377962963,0,1.474143519,0,0,0,1.001157407,0,0,0,0,0,0.569861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.377962963,0,1.47875,0,0,0,1.001157407,0,0,0,0,0,0.569861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.08333333,1.608333333,0.2,2.377962963,0,0.569861111,7.203349167,0.680138889,0.377962963,2.267777778,0.680138889,0.377962963,2.267777778,5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.3,0.1,0.1,5,0.5,5,0.5,0,0,-5,-0.5,0,0,12.42563,1.24256,12.42563,0,0,4.60517,0.46052,4.60517,0,0,0.30883,0.03088,0.39483,0.03948,0.2,10,0,0,0,0,0,0,1,0.918295834,1.480120933,2.464944563,2.813757678,2.835591746,2.477865082,27.54887502,44.40362799,73.9483369,84.41273035,85.06775238,74.33595246,0.187144143,0.301641315,0.502343493,0.573429879,0.577879553,0.504976631,3.988594762,3.426769662,2.441946032,2.093132917,2.07129885,2.429025513,0.187144143,0.301641315,0.502343493,0.573429879,0.577879553,0.504976631,6.73287657,13.47477776,16.24611747,16.87425524,15.11745036,12.5431576,39.49875002,28.66653932,27.18378832,25.52741161,28.63218775,33.58715058,8.1,2.93877551,2.285714286,4,0,3,2.56,1.409,1.5,4.02369228,1.5,3,6.083643419,3.041821709,1.850535862,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.14,0.131,0.159,0.212,4.48,14,14,14,14,8,6,0,0,0,90,2.397895273,2.708050201,2.708050201,2.708050201,2.708050201,2.197224577,1.945910149,0,0,0,4.510859507,1,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,1,3,5,0.666666667,3,1.333333333,0.6875,0.248888889,0.1875,0,0,0,0,0,0.3,0.095238095,0.0625,0.035555556,0.0625,0,0,0,0,0,0.555793651,23.37727465,34.54807559,46.75454929,4.675454929,23.37727465,0.032427167,0.003242717,-3.428758735,56.28586604,5.628586604,4.030443456,0,169.1598463,4.321928095,3.891820298,4.65396035,5.509388337,6.300785795,7.153833802,7.954723334,8.804925263,9.609988595,10.45826307,84.33768885,3.044522438,0,4.343805422,0,5.843544417,0,7.419979924,0,9.031333316,9.257128533,140.1565006,4.671883355,19.29949945,1.929949945,0,0,0,114,11,5.605,48,1.229266235,2.106979274,2.872320518,3.488659952,4.024612105,4.926675166,5.666484958,0,0,0,79.27849437,95.59097279,79.58614481,57.66912418,48.97790216,21.90392404,5.757511372,0,0,0,291.5000555,380.9063067,401.1898241,332.7956864,342.7293742,280.5916894,176.1355702,0,0,0,8.955521785,15.06610491,20.37921733,24.22823481,27.89301304,33.70785572,38.07007519,0,0,0,2.185186681,3.009683411,3.46392879,3.133010691,3.390132786,3.209636546,2.519392337,0,0,0,175.3995389,321.2615967,447.8345631,584.1705719,677.5066462,862.5866916,1047.833094,0,0,0,2.355586761,3.48065571,4.685926882,4.825180351,5.572660333,6.00615775,5.666484958,0,0,0,0.452167257,0.629629359,0.735400443,0.67672662,0.737505303,0.714136696,0.58024806,0,0,0,356.3198315,181.196284,9.066289967,91.29543519,-46.42568878,-4.952307123,265.0243963,227.6219728,14.01859709,0.79604039,0.404803628,0.020254649,0.20395961,-0.10371784,-0.011063758,159.4941964,81.10622298,4.058209801,40.86523057,-20.78084706,-2.216728273,0.060146308,0.117615974,0.637338014,0.843340939,447.6152667,0,1,0,682.8851744,26.13207176,8.806078679,876.625896,29.60786882,9.57057649,1287.133758,35.87664641,10.87780394,1.508605304,1.453219542,559.03193,480.7017889,215.240952,1.162949552,2.59723777,2.233319378,4.164084031,3.779648656,6.970405536,0.844194043,6.358676379,7.846407593,10.46064784,22.2920557,20.6413652,21.36607319,15.20302377,13.91793056,14.80825884,9.680101016,6.328560688,1.034445156,0.934935504,6.60E-13,9.16E-47,2.45E-102,1.27E-179,1.26E-278,0,0,0,0,0,0,0,0,0,0,0,0,0.474237702,7.499729244,0.691797383,9.991034777,1.025961552,3.135942128,1.382316714,2.572377812,0.790838036,0.538922811,0.083869551,0.007380959,0.006584827,4.65E-15,6.45E-49,1.73E-104,8.93E-182,8.90E-281,0,0,0,0,0,0,0,0,0,0,0,0,1.569031636,7.570408502,2.331405672,11.50446639,3.724469416,5.637317294,2.755765495,3.782082338,2.811401346,1.919768236,0.565442093,0.076167207,0.068618976,4.84E-14,6.72E-48,1.80E-103,9.31E-181,9.27E-280,0,0,0,0,0,0,0,0,0,0,0,0,5.960813761,7.825154058,9.737222924,21.18612452,18.97871195,19.81851873,13.84479861,12.83203953,13.65271371,8.948885086,5.665691937,0.921737614,0.833010702,5.88E-13,8.16E-47,2.19E-102,1.13E-179,1.13E-278,0,0,0,0,0,0,0,0,0,0,0,0,2.352149515,7.61895289,3.562180694,12.83955894,5.964514968,7.71661182,4.128432925,4.94094976,4.448073308,3.011700853,1.131514962,0.165210897,0.149049586,1.05E-13,1.46E-47,3.91E-103,2.02E-180,2.01E-279,0,0,0,0,0,0,0,0,0,0,0,0,7.874498957,7.925134085,13.28152752,26.78748016,27.32177504,27.58592811,20.81340695,18.38281575,19.42440753,12.58230288,9.101435145,1.508330274,1.363515566,9.62E-13,1.34E-46,3.58E-102,1.85E-179,1.84E-278,0,0,0,0,0,0,0,0,0,0,0,0,4.003867429,6.75569833,5.434687399,17.1518808,10.24322384,12.27154107,7.215779161,7.867108596,8.001745678,5.458761599,2.54591687,0.400382725,0.361434435,2.55E-13,3.54E-47,9.49E-103,4.90E-180,4.88E-279,0,0,0,0,0,0,0,0,0,0,0,0,3.613571886,1.660494408,1.021639776,0.573974046,0.263750307,0.536470495,0.577957921,0.432472753,6.29570607,11.38851182,23.81437929,0.360961069,1.546901168,2.948036232,1.047262756,0.489236827,0.657378233,0.233527571,0.357178054,0.228852553,0.09936408,4.484535815,5.042015949,11.03700616,0.48606735,0.685394688,3.212245727,1.290906615,0.70072151,0.617279707,0.24806647,0.423985658,0.348448362,0.203687109,5.203873852,7.302164966,15.41172719,0.425919561,0.976121129,3.59708324,1.645321368,1.00846199,0.575453529,0.263214923,0.531587063,0.567395139,0.421408839,6.250866597,11.2051237,23.42442929,0.363180293,1.520391041,3.330066235,1.399471171,0.794975017,0.602780115,0.253320305,0.455630881,0.409853075,0.262079351,5.524512422,8.420195771,17.64955546,0.404170173,1.127563307,3.6651972,1.707994275,1.062895011,0.569476064,0.265377769,0.551905686,0.611655921,0.468033192,6.436086486,11.97127425,25.06122788,0.354214096,1.6315948,3.604376883,1.649371747,1.013017801,0.575157367,0.263193429,0.533738311,0.57019668,0.425218267,6.266766431,11.26709828,23.55621238,0.362736051,1.529153258 +UMLRON0206,L,tert-butylcyclohexane,CC(C)(C)C1CCCCC1,18508,,UML,[1],C10H20,PubChem,,98.5,0,1.0301,1.06110601,44.0805,28.268688,0,0,26,10,16,0,10,0,0,0,0,0,0,0,0,0,1458.898234,1780.618739,2488.906743,2263.967004,1306.696445,563.26973,135.295776,12.192768,0,4732.508928,6494.471781,9646.742996,10388.88226,8265.813706,4394.714269,1582.538586,373.0049332,0,182.900584,196.827788,365.350812,477.165936,553.230644,445.928456,165.234816,80.621568,0,35.00280648,48.49460896,75.23178111,86.68456019,77.6166996,46.2981097,17.36002377,5.335354858,0,4226.625993,3844.69868,7732.278102,10324.81365,12855.30323,11299.29381,4120.072605,2219.011824,0,47.64583333,56.05555556,86.48611111,117.2222222,123,88.66666667,40,12,0,56.11147054,65.94884219,48.802093,33.7905523,16.54046133,8.665688154,5.637324,1.016064,0,182.0195742,240.5359919,189.1518235,155.0579442,104.6305532,67.61098876,65.93910774,31.08374443,0,7.034637846,7.289918074,7.163741412,7.121879642,7.002919544,6.860437785,6.884784,6.718464,0,1.346261788,1.796096628,1.475132963,1.293799406,0.982489868,0.712278611,0.723334324,0.444612905,0,162.5625382,142.3962474,151.6132961,154.1016963,162.7253574,173.8352894,171.6696919,184.917652,0,1.832532051,2.076131687,1.6958061,1.749585406,1.556962025,1.364102564,1.666666667,1,0,0.045516393,-0.007347187,-2.44E-04,-0.01554476,-0.019394725,0.020108329,-0.015248491,0.014912584,0,745.0215938,45.8474827,121.7823759,-467.07123,-587.4208721,335.2597172,-35.81834586,214.9100751,0,1385.399467,85.25535183,226.4595283,-868.5388968,-1092.334195,623.4297603,-66.60574362,399.6344617,0,0.145944615,0.008981207,0.023856331,-0.091496047,-0.115071716,0.065675077,-0.007016568,0.042099408,0,6.193380214,0.38113109,1.012379458,-3.882772981,-4.883242092,2.787021097,-0.297758664,1.786551985,0,33.64253962,2.070310131,5.499261284,-21.09128445,-26.52584855,15.13914283,-1.617429789,9.704578737,0,5.549412393,-1.599656887,0.674176118,-1.322310569,-2.306387656,3.466479701,-2.577662722,0.890655819,0,0.001750631,-2.72E-04,-4.78E-06,-2.32E-04,-2.46E-04,3.09E-04,-6.35E-04,0.001242715,0,28.65467669,1.698054915,2.387889724,-6.971212388,-7.435707241,5.157841804,-1.492431077,17.90917293,0,53.2845949,3.157605624,4.440382908,-12.96326712,-13.82701513,9.591227081,-2.775239318,33.30287181,0,0.005613254,3.33E-04,4.68E-04,-0.001365613,-0.001456604,0.001010386,-2.92E-04,0.003508284,0,0.238206931,0.014115966,0.019850578,-0.057951836,-0.061813191,0.042877248,-0.012406611,0.148879332,0,1.293943832,0.076678153,0.107828653,-0.31479529,-0.335770235,0.23290989,-0.067392908,0.808714895,0,0.213438938,-0.059246551,0.01321914,-0.019735979,-0.02919478,0.053330457,-0.107402613,0.074221318,0,-0.155440013,-0.002732328,-0.132530161,-0.140236813,0.176712855,-0.362928542,0.709867297,0,0.059259259,0.083333333,-0.243283582,-0.259493671,0.18,-0.052083333,0.625,0,0.059259259,0.083333333,-0.243283582,-0.259493671,0.18,-0.052083333,0.625,0,0.059259259,0.083333333,-0.243283582,-0.259493671,0.18,-0.052083333,0.625,0,0.059259259,0.083333333,-0.243283582,-0.259493671,0.18,-0.052083333,0.625,0,0.059259259,0.083333333,-0.243283582,-0.259493671,0.18,-0.052083333,0.625,0,-0.277580801,0.061934058,-0.092466627,-0.136782823,0.249862829,-0.503200655,0.34774029,0,1.35733726,0.916526021,1.105849616,1.049947181,0.641494682,1.661199849,0.250447054,0,1.203703704,1.035539216,1.30363806,1.182753165,0.59375,0.846354167,0,0,1.203703704,1.035539216,1.30363806,1.182753165,0.59375,0.846354167,0,0,1.203703704,1.035539216,1.30363806,1.182753165,0.59375,0.846354167,0,0,1.203703704,1.035539216,1.30363806,1.182753165,0.59375,0.846354167,0,0,1.203703704,1.035539216,1.30363806,1.182753165,0.59375,0.846354167,0,0,1.559594922,0.587046196,1.133015914,1.032391587,0.498628291,2.627905857,0,0,42.22533834,21.11266917,30.74255659,42.22533834,4.222533834,21.11266917,-7.11E-15,0.127019246,0.012701925,-2.063416664,90.46544193,9.046544193,4.504967921,42.22533834,21.11266917,30.74255659,42.22533834,4.222533834,21.11266917,-7.11E-15,0.127019246,0.012701925,-2.063416664,90.46544193,9.046544193,4.504967921,42.22533834,21.11266917,30.74255659,42.22533834,4.222533834,21.11266917,-7.11E-15,0.127019246,0.012701925,-2.063416664,90.46544193,9.046544193,4.504967921,42.22533834,21.11266917,30.74255659,42.22533834,4.222533834,21.11266917,-7.11E-15,0.127019246,0.012701925,-2.063416664,90.46544193,9.046544193,4.504967921,42.22533834,21.11266917,30.74255659,42.22533834,4.222533834,21.11266917,-7.11E-15,0.127019246,0.012701925,-2.063416664,90.46544193,9.046544193,4.504967921,42.22533834,21.11266917,30.74255659,42.22533834,4.222533834,21.11266917,-7.11E-15,0.127019246,0.012701925,-2.063416664,90.46544193,9.046544193,4.504967921,60.28864191,29.8200154,45.09867652,59.76975303,5.976975303,29.8200154,-0.648611111,0.174925674,0.017492567,-1.743394114,73.25248899,7.325248899,4.293912227,0,11.9,12.10017173,-0.127454752,0.074342322,6.234478304,9.981255199,11,27,26,26,10,1,1,0,0,1,17.491312,3.941163035,3.230153108,2.856676163,2.640541988,2.333552793,1.712270638,1.381888611,1.258318383,1.845036848,1.74089499,1.399710174,1.249629723,1.210778386,0.898551475,0.610100793,0.458991943,3.954301676,3.258520751,2.892354133,2.682325824,2.405454588,1.788773329,1.473531952,1.358247734,1.789620093,1.688398161,1.324614197,1.134540686,1.117699434,0.790157774,0.469234731,0.310944404,4.013515899,3.389119018,3.050419535,2.867538061,2.704236987,2.119757378,1.856915857,1.766966843,1.634434356,1.546643966,1.09647092,0.836378185,0.76031856,0.455113309,0.005197791,0.186854957,3.964049959,3.27976193,2.91872095,2.713238383,2.457539916,1.845103772,1.540252991,1.430363024,1.755009866,1.656042554,1.276160863,1.058262671,1.057629867,0.719583075,0.374578164,0.211563107,4.043392532,3.455514614,3.127735521,2.957594821,2.838982085,2.2733756,2.028554752,1.94664559,1.588548381,1.506601455,1.023212351,0.747527696,0.631337262,0.346989118,0.174302003,0.3644268,3.905707868,3.415206765,3.06219168,2.744426554,2.634654398,1.934731756,1.593008598,1.482901612,1.789925261,1.598953692,1.23900851,1.014022746,0.878556837,0.508467719,0.282948728,0.10932972,0,0,1,0,1,2,3,2,1,0.204124145,0.380039828,0.234708048,0.879494812,1.171606735,0.204124145,0.36425077,0.203263132,0.702130457,0.851089119,1.16660592,0.083333333,0.511485683,0.083333333,1.059452169,0.083333333,0.472737531,0.083333333,2.812278497,3.654697273,3.72193194,2.530863517,3.109430684,2.794373571,7.353371151,4.666337772,4.714440022,3.876003667,2.856765859,1.750461159,0.836242642,0.136082763,0.735337115,0.424212525,0.261913335,0.161500153,0.102027352,0.070018446,0.055749509,0.034020691,6.983127663,4.343187795,4.302822079,3.468092233,2.452511334,1.33943006,0.602574147,0.11785113,0.698312766,0.394835254,0.239045671,0.144503843,0.087589691,0.053577202,0.04017161,0.029462783,14.33462243,25.10269483,23.80392157,24.08,16.38843593,197.7114299,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,2.92489,43.482,42.30618161,57.61871717,84.61236321,8.461236321,42.30618161,0.203145384,0.020314538,-1.593833381,48.93012701,4.893012701,3.890393301,80,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,7,2,0,1,0,0,0,0,0,0,0,0,2,1,3,0,0,0,2,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.640115741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.323680556,0,0,0,1.726875,0.580555556,0,0.323680556,0,0,0,0,0,0,0,0,4.719444444,4.104282407,4.181064815,0,0,0,1.809490741,0,0,1.535833333,0,0,0.733217593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.535833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.323680556,0,0,0,0.216944444,0.290277778,0,0.323680556,0,0,0,0,0,0,0,0,2.359722222,4.104282407,1.30837963,0,0,0,0.88587963,0,0,1.535833333,0,0,0.733217593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.104282407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.323680556,0,0,0,0.290277778,0.290277778,0,0.323680556,0,0,0,0,0,0,0,0,2.359722222,4.104282407,1.447916667,0,0,0,0.923611111,0,0,1.535833333,0,0,0.733217593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.08333333,1.708333333,0.323680556,4.104282407,0.006041667,0.733217593,6.091354421,0.516782407,1.104282407,3.647453704,0.516782407,1.104282407,3.647453704,5,0.5,0,0,0.45385,0.7,0.44286,0.44286,0.7,0.01099,0.01099,0,0,0.71429,0,0,0.3,0.3,0.1,6.5,0.65,5.5,0.55,1,0.1,-4.5,-0.45,0,0,10.36511,1.03651,11.83726,1.47215,0.14722,4.18002,0.418,4.66632,0.4863,0.04863,0.24768,0.02477,0.41968,0.04197,0.230769231,31,0,0,0,0,0,0,0.8,0.961236605,2.419556299,3.565448372,3.719294526,3.719294526,3.719294526,24.99215172,62.90846376,92.70165767,96.70165767,96.70165767,96.70165767,0.204499294,0.514751054,0.75853507,0.791265232,0.791265232,0.791265232,3.739203113,2.28088342,1.134991346,0.981145192,0.981145192,0.981145192,0.199951246,0.50330303,0.741665309,0.773667554,0.773667554,0.773667554,6.796774065,20.61971472,22.62012536,22.77517536,22.77517536,22.77517536,38.70844392,20.64166597,18.18462585,17.66141363,17.66141363,17.66141363,6.694214876,1.777777778,0.7168,3,2,3,2.56,1.2574,0.814325285,2.94389819,4.112265279,1.310370697,1.650963624,5.018135372,2.381101578,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0.003,0.163,0.175,0.286,0.54,4.478,18,24,28,25,15,4,0,0,0,135,2.564949357,3.044522438,3.33220451,3.526360525,3.526360525,3.135494216,1.609437912,0,0,0,5.087596335,1.192592593,0.4,2,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,3,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.090909091,3,0.272727273,0,3,5,0.666666667,3.5,2.388888889,1.263888889,0.41,0,0,0,0,0,0,0.318181818,0.159259259,0.105324074,0.082,0,0,0,0,0,0,0.664765152,22.1481631,31.93888677,44.29632619,4.429632619,22.1481631,0.050788084,0.005078808,-2.98009352,124.7743424,12.47743424,4.826506845,0,154.1669289,4.321928095,4.077537444,5.003946306,5.96870756,6.930494766,7.899895323,8.867990898,9.838041953,10.80740201,11.77744894,92.1714652,3.135494216,1.945910149,4.553876892,4.262679877,6.22059017,6.447305863,8.003363059,8.526549286,9.84866171,10.25072309,136.1252005,5.235584635,19.57810361,1.957810361,0,0,0,107,12,4.222,58,1.263151459,2.204543449,3.059376267,3.746979255,4.418885071,5.717114638,6.366515976,0,0,0,95.44431658,119.3747944,112.6802898,70.01372151,45.28638454,33.30644044,6.468787689,0,0,0,332.2002716,448.7900696,499.7802384,415.9181029,326.8534702,385.1062019,197.8951555,0,0,0,9.24711996,15.85729087,21.84136135,26.29758111,30.41185985,39.39986848,42.77320839,0,0,0,2.422652867,3.440356403,4.109681942,3.829842719,3.343631966,4.200355042,2.830635162,0,0,0,177.4493217,329.7102021,467.7238293,605.5185222,760.7453351,978.3672171,1177.281186,0,0,0,2.658299186,3.866075718,5.476231148,5.99016271,6.339736597,9.649244566,6.366515976,0,0,0,0.498747696,0.715628053,0.865282639,0.822376877,0.732342275,0.926578143,0.651931236,0,0,0,335.3923738,162.253925,10.86829423,94.81768415,-45.87027796,-5.433054601,240.5746897,208.1242029,16.30134883,0.779601424,0.377150469,0.025262762,0.220398576,-0.106622979,-0.012628841,144.2891726,69.80327047,4.675649491,40.79152139,-19.73385494,-2.337354735,0.110483667,0.204983914,3.915488287,4.931547755,430.210058,0,1,0,718.6086422,26.80687677,8.957032402,875.0011711,29.58041871,9.564660181,1265.332869,35.57151767,10.81603947,1.292929866,1.246908355,566.9206676,545.0790284,194.8199732,1.040070592,2.909972003,2.797860093,4.253565967,4.347314109,7.620988462,0.753033775,5.022545704,9.481150743,2.553706334,15.79039885,10.33072032,19.52640021,11.90328816,10.43806007,4.655537324,6.303848879,3.983872236,2.415376889,0.491042987,0.254256377,5.77E-07,2.78E-34,2.58E-83,4.62E-154,1.59E-246,0,0,0,0,0,0,0,0,0,0,0,0.421518175,8.740578085,0.141927229,9.359756481,1.648496845,2.824239081,1.202440181,0.661324936,1.138742903,0.348873347,0.514829418,0.021621312,0.005443752,0.001790748,4.07E-09,1.96E-36,1.82E-85,3.25E-156,1.12E-248,0,0,0,0,0,0,0,0,0,0,0,1.360685984,8.790065063,0.50585038,10.40243297,2.860397255,5.341881311,2.74090113,2.26082503,1.397354187,1.235076395,1.01905923,0.189117991,0.041140387,0.01866098,4.24E-08,2.04E-35,1.89E-84,3.39E-155,1.17E-247,0,0,0,0,0,0,0,0,0,0,0,4.740874095,9.39984251,2.360645049,15.30121849,9.600975869,18.18847851,11.01972364,9.69939415,4.277777284,5.822781938,3.699375421,2.155231316,0.438877455,0.226537854,5.14E-07,2.48E-34,2.30E-83,4.11E-154,1.42E-246,0,0,0,0,0,0,0,0,0,0,0,2.005395242,8.854227127,0.793788632,11.19835284,3.858701431,7.334905674,3.988760775,3.476453861,1.711241015,1.94121321,1.42573213,0.399446346,0.084477061,0.040534141,9.20E-08,4.43E-35,4.11E-84,7.36E-155,2.54E-247,0,0,0,0,0,0,0,0,0,0,0,6.065448888,9.823040796,3.320089442,17.71004776,13.25770513,24.83826615,15.43413618,13.33212731,6.238678854,8.217308868,5.119127838,3.507564905,0.709664561,0.37080903,8.42E-07,4.05E-34,3.76E-83,6.73E-154,2.32E-246,0,0,0,0,0,0,0,0,0,0,0,3.20698397,6.755035237,1.15533308,12.00679062,5.333653685,9.999329013,6.491911208,5.680027074,2.595018788,3.244363649,3.119299348,0.868663353,0.181171379,0.087121757,1.98E-07,9.52E-35,8.84E-84,1.58E-154,5.46E-247,0,0,0,0,0,0,0,0,0,0,0,4.352971577,1.396163383,1.196979966,0.62667716,0.200999177,0.504839405,0.515234615,0.485636663,6.946114926,12.95905889,27.17977111,0.44001574,1.505710684,3.402480873,0.795798692,0.6353695,0.703915577,0.164637251,0.304082426,0.164373855,0.123968333,4.833649066,5.375148618,11.92918122,0.555873366,0.592424614,3.752391306,1.018882421,0.844480506,0.668190086,0.181432872,0.371637695,0.272007466,0.227574226,5.615754233,7.852493191,16.69690375,0.502285129,0.871219387,4.326466617,1.379631918,1.181580901,0.628145758,0.200304316,0.498495433,0.502987328,0.472074458,6.887679436,12.71114849,26.65160331,0.442218636,1.47355722,3.919511185,1.124490296,0.943345687,0.654632356,0.187811106,0.406497979,0.332393248,0.289059224,5.987347168,9.165689338,19.31078762,0.481948534,1.02795045,4.437054063,1.448545538,1.245740352,0.622190793,0.203123894,0.52525129,0.554992749,0.529981034,7.131339953,13.75920378,28.89725939,0.43328619,1.610225074,4.36791176,1.381398552,1.184798003,0.629916863,0.199217908,0.507502337,0.504384646,0.472765442,6.934108314,12.84559835,26.92857282,0.444875295,1.484652425 +UMLRON0207,L,4-methylene-1-(1-methylethyl)bicyclo3.1.0hexane,CC(C)C12CCC(=C)C1C2,18818,Sandia Ron value was from the biocompoundML source for which I could not find the orginal source so I think we should use the co-optima database values which were measured by LBL,Sandia,,C10H16,UML,,106.5,0,0.8598,0.73925604,31.9446,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1128.97815,1018.072781,708.378555,335.100697,76.792464,6.096384,0,3399.790734,4147.41404,5230.324054,5316.034085,4332.778282,2682.588164,1071.022993,186.5024666,0,146.842108,144.889944,255.179544,322.340468,313.179564,248.275108,143.083584,40.310784,0,25.74688067,32.32302034,44.11934665,47.55905142,41.08800151,27.71539134,12.68152803,2.667677429,0,3476.407621,2904.481805,5640.598507,7484.308114,7479.227263,6153.780717,3724.295171,1109.505912,0,41.27777778,45.91666667,63,77.5,75.5,56,29,6,0,48.76541633,51.7541979,31.36050417,22.13201698,15.74174567,9.308352694,3.656784,1.016064,0,161.8947969,207.370702,145.2867793,115.5659584,96.28396182,74.51633789,51.00109489,31.08374443,0,6.992481333,7.2444972,7.088320667,7.007401478,6.959545867,6.896530778,6.813504,6.718464,0,1.226041937,1.616151017,1.225537407,1.033892422,0.9130667,0.769871982,0.603882287,0.444612905,0,165.54322,145.2240902,156.6832919,162.7023503,166.2050503,170.9383532,177.3473891,184.917652,0,1.965608466,2.295833333,1.75,1.684782609,1.677777778,1.555555556,1.380952381,1,0,0.048131092,-0.010602567,-0.012435989,-4.49E-04,-0.007546503,-7.46E-04,3.82E-04,0.007332135,0,564.9747087,-53.80711511,-121.066009,-107.6142302,-121.066009,-40.35533633,80.71067267,80.71067267,0,1050.594596,-100.0566282,-225.1274134,-200.1132564,-225.1274134,-75.04247115,150.0849423,150.0849423,0,0.110674667,-0.010540444,-0.023716,-0.021080889,-0.023716,-0.007905333,0.015810667,0.015810667,0,4.696646663,-0.447299682,-1.006424285,-0.894599364,-1.006424285,-0.335474762,0.670949523,0.670949523,0,25.51225921,-2.429738973,-5.466912688,-4.859477945,-5.466912688,-1.822304229,3.644608459,3.644608459,0,5.701058201,-1.333018393,-0.529856387,0.324137062,-1.200680272,-0.154195011,-0.502645503,0.545729403,0,0.002291957,-5.30E-04,-3.45E-04,-9.75E-06,-1.68E-04,-2.07E-05,1.82E-05,0.001222022,0,26.90355756,-2.690355756,-3.362944694,-2.339439787,-2.690355756,-1.120981565,3.843365365,13.45177878,0,50.0283141,-5.00283141,-6.253539262,-4.350288182,-5.00283141,-2.084513087,7.146902014,25.01415705,0,0.005270222,-5.27E-04,-6.59E-04,-4.58E-04,-5.27E-04,-2.20E-04,7.53E-04,0.002635111,0,0.223649841,-0.022364984,-0.02795623,-0.019447812,-0.022364984,-0.009318743,0.031949977,0.111824921,0,1.214869486,-0.121486949,-0.151858686,-0.105640825,-0.121486949,-0.050619562,0.173552784,0.607434743,0,0.271478962,-0.06665092,-0.014718233,0.007046458,-0.026681784,-0.004283195,-0.0239355,0.0909549,0,-0.231299463,-0.150720182,-0.004255023,-0.073168948,-0.009041262,0.007936333,0.53317866,0,-0.1,-0.125,-0.086956522,-0.1,-0.041666667,0.142857143,0.5,0,-0.1,-0.125,-0.086956522,-0.1,-0.041666667,0.142857143,0.5,0,-0.1,-0.125,-0.086956522,-0.1,-0.041666667,0.142857143,0.5,0,-0.1,-0.125,-0.086956522,-0.1,-0.041666667,0.142857143,0.5,0,-0.1,-0.125,-0.086956522,-0.1,-0.041666667,0.142857143,0.5,0,-0.245510441,-0.054215004,0.025955816,-0.098283063,-0.015777262,-0.088167053,0.335034803,0,1.527324971,1.066307383,0.918191491,1.036347701,0.947611325,0.80679229,0.189555645,0,1.5,1.25,1.071428571,1,0.833333333,0.510204082,0,0,1.5,1.25,1.071428571,1,0.833333333,0.510204082,0,0,1.5,1.25,1.071428571,1,0.833333333,0.510204082,0,0,1.5,1.25,1.071428571,1,0.833333333,0.510204082,0,0,1.5,1.25,1.071428571,1,0.833333333,0.510204082,0,0,1.603016241,0.790409899,0.786996873,1.211600928,0.950116009,1.16937355,0,0,27.83126049,13.91563025,21.43129384,27.83126049,3.975894356,13.91563292,-3.55E-15,0.134696783,0.019242398,-1.403310356,23.28237909,3.326054155,2.203387769,27.83126049,13.91563025,21.43129384,27.83126049,3.975894356,13.91563292,-3.55E-15,0.134696783,0.019242398,-1.403310356,23.28237909,3.326054155,2.203387769,27.83126049,13.91563025,21.43129384,27.83126049,3.975894356,13.91563292,-3.55E-15,0.134696783,0.019242398,-1.403310356,23.28237909,3.326054155,2.203387769,27.83126049,13.91563025,21.43129384,27.83126049,3.975894356,13.91563292,-3.55E-15,0.134696783,0.019242398,-1.403310356,23.28237909,3.326054155,2.203387769,27.83126049,13.91563025,21.43129384,27.83126049,3.975894356,13.91563292,-3.55E-15,0.134696783,0.019242398,-1.403310356,23.28237909,3.326054155,2.203387769,27.83126049,13.91563025,21.43129384,27.83126049,3.975894356,13.91563292,-3.55E-15,0.134696783,0.019242398,-1.403310356,23.28237909,3.326054155,2.203387769,40.88940366,20.2145431,32.16530892,40.56060548,5.794372211,20.21454311,-0.46031746,0.169135939,0.024162277,-1.243936759,20.77952125,2.968503036,2.123777563,0,11.79,12.21004853,-0.30544249,0.114856658,5.22667869,8.125129195,6,20,19,19,5,1,1,0,0,1,15.304898,3.533636467,3.092390319,2.68208376,2.231649055,1.557727426,1.231631211,0.789750256,0.083923071,1.90553437,1.627625826,1.360052186,1.134580729,0.701577853,0.518886035,0.283150003,0.083923071,3.557702919,3.128894544,2.730387772,2.30146987,1.649460191,1.341605858,0.924474843,0.270913902,1.849188444,1.550969954,1.267702716,1.020098892,0.562370719,0.369760717,0.117507241,0.270913902,3.665286663,3.289431031,2.940082921,2.594072844,2.029169041,1.782217389,1.448763528,0.943918427,1.687106866,1.321363101,0.981096218,0.649350969,0.099745512,0.138195153,0.458873082,0.943918427,3.575527102,3.155809708,2.765888129,2.352208803,1.715927386,1.420388097,1.019985099,0.399277246,1.813622669,1.501752734,1.207533025,0.944318332,0.469310062,0.269232934,0.00502385,0.399277246,3.718715265,3.367201896,3.039499665,2.727035072,2.198229229,1.971825687,1.667797982,1.207644823,1.637755667,1.24881926,0.887553946,0.522365357,0.062980981,0.322707365,0.674014848,1.207644823,3.603533062,3.211454519,2.883559706,2.370333171,1.761002715,1.491813747,1.094021954,0.525,1.873904224,1.458876043,1.01897622,0.895898619,0.411710299,0.17925034,0.097896871,0.525,0,0,1,1,0,2,2,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.23570226,0,0,0,0.49279928,0.40824829,0.204124145,0.333333333,0.284517797,0.11785113,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.276020882,2.934286965,2.001661279,1.146385863,0.573192931,0.11785113,0,0,0.753717269,0.489047827,0.333610213,0.229277173,0.19106431,0.11785113,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,5,1,0,2,0,0,0,0,0,0,0,0,2,1,2,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.682685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374027778,0.306319444,0,0,1.219652778,0.290277778,0,0.680347222,0,0,0,0,0,0,0,0,4.385416667,3.679212963,2.552268519,0,2.003472222,0,0.712962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374027778,0.306319444,0,0,0.216944444,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.190972222,3.679212963,1.271018519,0,2.003472222,0,0.712962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.679212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374027778,0.306319444,0,0,0.290277778,0.290277778,0,0.374027778,0,0,0,0,0,0,0,0,2.194444444,3.679212963,1.28125,0,2.003472222,0,0.712962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.904761905,0.374027778,3.679212963,0.216944444,0.712962963,5.15866463,0.62037037,0.679212963,2.136203704,0.62037037,0.679212963,2.136203704,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.74178,0.82025,7.07892,1.33713,0.19102,2.77005,0.39572,3.30805,0.53801,0.07686,0.10595,0.01514,0.10595,0.01514,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.163334789,3.177566232,3.653756708,3.653756708,3.140202668,19.28421252,45.43003057,66.72889087,76.72889087,76.72889087,65.94425603,0.209068641,0.492526969,0.723437294,0.831851698,0.831851698,0.714930722,3.474021589,2.228982634,1.214751191,0.738560714,0.738560714,1.252114755,0.209068641,0.492526969,0.723437294,0.831851698,0.831851698,0.714930722,6.73287657,16.18022255,19.296138,19.77605468,19.77605468,13.6134062,27.64912502,18.09706317,14.77014725,13.54772211,13.54772211,12.40486497,7,4.166666667,3.84,7,2,6,2.23,1.0519,0.766309432,4.112265279,1.650963624,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.126,0.12,0.128,0.152,2.932,6,5,3,1,0,0,0,0,0,28,2.079441542,2.079441542,2.079441542,1.609437912,1.098612289,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,0,126.9918924,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,98.10955045,4.671883355,12.66537523,1.809339318,0,0,0,50,5,3.892,24,1.2236,2.129849001,2.895625649,3.569719619,4.419350313,5.560370242,7.169405074,0,0,0,73.7959167,75.26995215,72.85490371,68.21971065,50.81736701,23.25818232,7.284574397,0,0,0,278.2003652,333.5005906,358.6400627,380.7649369,368.2132674,305.6472975,222.851955,0,0,0,8.897867644,15.1509838,20.34101764,24.9385429,30.61171206,37.99088011,48.16738989,0,0,0,2.110244062,2.756613143,3.137102336,3.493830493,3.67403286,3.534230818,3.187610016,0,0,0,175.6104775,329.8422779,467.5764916,586.3186717,745.1653586,977.7316109,1325.749553,0,0,0,2.872154167,3.858580819,5.026270464,6.273238392,7.36309659,8.088876034,7.169405074,0,0,0,0.43759575,0.581209576,0.668673626,0.750757309,0.800299399,0.787840394,0.73414708,0,0,0,359.4169182,159.411584,10.92647815,159.3188683,-70.66243094,-10.77449136,200.0980499,230.074015,21.70096952,0.692870875,0.307307859,0.021063668,0.307129125,-0.136220467,-0.020770673,186.4424178,82.69249343,5.667955239,82.64439845,-36.65513169,-5.589114252,0.128285824,0.230821994,2.647802868,5.12488256,518.7357865,0,1,0,393.1393776,19.82774263,7.32569526,529.3948196,23.00858143,8.089590956,620.0614972,24.90103406,8.527300903,1.761359356,1.575262244,465.750279,418.1346771,77.29811879,1.113876233,6.025376637,5.409377145,3.976832457,4.466158665,7.71775273,0.728051623,4.149594424,4.863382706,3.183260065,17.26893599,8.155932472,5.486667827,8.309032289,10.16209314,5.346876846,1.932206216,2.1834545,1.59825382,1.550431541,0.017449186,6.94E-04,5.32E-27,7.87E-72,2.25E-138,1.24E-226,0,0,0,0,0,0,0,0,0,0,0,0.348257413,4.863167048,0.198039551,6.041555086,1.633700838,0.253605973,0.617079535,0.334902914,1.766151713,0.046764703,0.104756216,0.085980945,0.074062434,1.23E-04,4.89E-06,3.75E-29,5.55E-74,1.58E-140,8.71E-229,0,0,0,0,0,0,0,0,0,0,0,1.124191339,4.863181938,0.684833967,7.323420705,2.096456708,0.947824191,1.902551606,1.365484795,2.289216274,0.226997223,0.364997808,0.309023168,0.276018499,0.001280673,5.09E-05,3.91E-28,5.78E-73,1.65E-139,9.07E-228,0,0,0,0,0,0,0,0,0,0,0,3.916879296,4.863359198,2.957151907,16.22434091,7.449374599,5.03400842,7.737447512,9.215430542,5.054141298,1.744390835,1.998157303,1.475375226,1.424884026,0.015546911,6.18E-04,4.74E-27,7.01E-72,2.00E-138,1.10E-226,0,0,0,0,0,0,0,0,0,0,0,1.656845653,4.863200809,1.055391516,8.503236191,2.672020713,1.535420077,2.869497297,2.362550676,2.709995036,0.411478979,0.59235981,0.487564409,0.444169621,0.002781791,1.11E-04,8.48E-28,1.26E-72,3.58E-139,1.97E-227,0,0,0,0,0,0,0,0,0,0,0,5.011233796,4.863481445,4.06966326,21.54224652,11.12088199,7.312873029,10.53967818,14.05893591,6.514228204,2.709795445,2.935427564,2.087619428,2.055204989,0.025447997,0.001011965,7.76E-27,1.15E-71,3.28E-138,1.80E-226,0,0,0,0,0,0,0,0,0,0,0,2.28124299,3.442884192,1.443137631,9.076984589,3.997385781,2.333470519,4.533124506,3.24652228,3.6141716,0.65143317,0.989993392,0.708069788,0.698334073,0.004809434,1.91E-04,1.47E-27,2.17E-72,6.19E-139,3.41E-227,0,0,0,0,0,0,0,0,0,0,0,4.89053108,1.163479344,0.510589742,0.744985369,0.177235371,0.48982378,0.464339462,0.39911111,6.564600167,8.781147516,18.2510196,0.617478054,1.353274351,4.142425623,0.640573203,0.151605285,0.839464632,0.129812481,0.34990716,0.138892202,0.034441153,4.93460411,3.378654747,8.715547551,0.759196948,0.523240515,4.438209075,0.848600169,0.295176392,0.795095037,0.152024786,0.402147999,0.245129752,0.132297765,5.581985636,5.326806249,12.02050439,0.692642555,0.779575516,4.871879727,1.150578579,0.501787751,0.746734517,0.176354259,0.486019455,0.453985047,0.385401749,6.524246057,8.62747626,17.96448374,0.620101775,1.325406251,4.570635672,0.941215905,0.358698651,0.778570235,0.160328396,0.426832963,0.302317403,0.196042254,5.870550228,6.279048716,13.6927044,0.667855353,0.92519262,4.948963468,1.203848773,0.538125869,0.739651658,0.17992227,0.501848619,0.497491197,0.443536311,6.69093811,9.268791035,19.16577739,0.609477487,1.442876127,4.905808636,1.151022631,0.501052249,0.748078038,0.175517395,0.492672262,0.454117484,0.384073008,6.557883516,8.681485693,18.06865932,0.622117057,1.330862754 +UMLRON0208,L,3-Methyl-1-Hexene,CCCC(C)C=C,18848,,"Sandia, UML",[1],C7H14,PubChem,,82.2,0,1.0506,1.10376036,31.7748,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1238.953135,1191.545718,659.955074,167.724144,15.24096,0,0,3399.790734,4147.41404,5371.798596,5866.174625,4796.070567,2318.950091,466.2561665,0,0,146.842108,144.889944,254.804092,304.204632,355.86164,306.721728,100.77696,0,0,25.74688067,32.32302034,44.45683953,50.57629401,46.76284309,27.36582617,6.669193573,0,0,3476.407621,2904.481805,5677.860524,6776.046549,8392.495636,7971.548194,2773.76478,0,0,41.80555556,46.55555556,63.83333333,83.33333333,89.5,59,15,0,0,48.76541633,51.7541979,34.41536486,27.71036553,12.94029557,3.7272032,1.016064,0,0,161.8947969,207.370702,149.2166277,136.4226657,94.04059935,51.53222424,31.08374443,0,0,6.992481333,7.2444972,7.077891444,7.074526326,6.977679216,6.8160384,6.718464,0,0,1.226041937,1.616151017,1.234912209,1.176192884,0.916918492,0.608129471,0.444612905,0,0,165.54322,145.2240902,157.7183479,157.5824779,164.558738,177.1455154,184.917652,0,0,1.990740741,2.327777778,1.773148148,1.937984496,1.754901961,1.311111111,1,0,0,0.042207653,-0.007738682,-0.001139866,-0.010007234,-0.021523129,0.006253881,0.013051204,0,0,564.9747087,-53.80711511,40.35533633,-228.6802392,-403.5533633,161.4213453,201.7766817,0,0,1050.594596,-100.0566282,75.04247115,-425.2406698,-750.4247115,300.1698846,375.2123557,0,0,0.110674667,-0.010540444,0.007905333,-0.044796889,-0.079053333,0.031621333,0.039526667,0,0,4.696646663,-0.447299682,0.335474762,-1.901023649,-3.354747616,1.341899046,1.677373808,0,0,25.51225921,-2.429738973,1.822304229,-10.32639063,-18.22304229,7.289216918,9.111521147,0,0,5.793650794,-2.083900227,1.163265306,-0.289115646,-3.102040816,-0.022108844,1.43707483,0,0,0.002009888,-3.87E-04,-3.17E-05,-2.33E-04,-4.22E-04,1.39E-04,8.70E-04,0,0,26.90355756,-2.690355756,1.120981565,-5.318145098,-7.912811046,3.587141007,13.45177878,0,0,50.0283141,-5.00283141,2.084513087,-9.889317903,-14.71421003,6.67044188,25.01415705,0,0,0.005270222,-5.27E-04,2.20E-04,-0.001041788,-0.001550065,7.03E-04,0.002635111,0,0,0.223649841,-0.022364984,0.009318743,-0.044209852,-0.065779365,0.029819979,0.111824921,0,0,1.214869486,-0.121486949,0.050619562,-0.240148619,-0.357314555,0.161982598,0.607434743,0,0,0.275888133,-0.104195011,0.032312925,-0.00672362,-0.06082433,-4.91E-04,0.095804989,0,0,-0.19251524,-0.015753582,-0.115790704,-0.209972935,0.069145699,0.432899816,0,0,-0.1,0.041666667,-0.197674419,-0.294117647,0.133333333,0.5,0,0,-0.1,0.041666667,-0.197674419,-0.294117647,0.133333333,0.5,0,0,-0.1,0.041666667,-0.197674419,-0.294117647,0.133333333,0.5,0,0,-0.1,0.041666667,-0.197674419,-0.294117647,0.133333333,0.5,0,0,-0.1,0.041666667,-0.197674419,-0.294117647,0.133333333,0.5,0,0,-0.377671233,0.117123288,-0.024370819,-0.220467365,-0.001780822,0.347260274,0,0,1.504574766,0.994312765,1.182851517,1.243718688,0.632473017,0.09064607,0,0,1.5,1.071428571,1.295681063,1.218487395,0.523809524,0,0,0,1.5,1.071428571,1.295681063,1.218487395,0.523809524,0,0,0,1.5,1.071428571,1.295681063,1.218487395,0.523809524,0,0,0,1.5,1.071428571,1.295681063,1.218487395,0.523809524,0,0,0,1.5,1.071428571,1.295681063,1.218487395,0.523809524,0,0,0,1.754794521,0.588660578,1.18302007,1.339645447,0.767123288,0,0,0,25.51627403,12.75813701,18.84020815,25.51627403,3.645182004,12.75814516,1.78E-15,0.117122538,0.016731791,-1.501174194,41.0703189,5.867188414,2.600699985,25.51627403,12.75813701,18.84020815,25.51627403,3.645182004,12.75814516,1.78E-15,0.117122538,0.016731791,-1.501174194,41.0703189,5.867188414,2.600699985,25.51627403,12.75813701,18.84020815,25.51627403,3.645182004,12.75814516,1.78E-15,0.117122538,0.016731791,-1.501174194,41.0703189,5.867188414,2.600699985,25.51627403,12.75813701,18.84020815,25.51627403,3.645182004,12.75814516,1.78E-15,0.117122538,0.016731791,-1.501174194,41.0703189,5.867188414,2.600699985,25.51627403,12.75813701,18.84020815,25.51627403,3.645182004,12.75814516,1.78E-15,0.117122538,0.016731791,-1.501174194,41.0703189,5.867188414,2.600699985,25.51627403,12.75813701,18.84020815,25.51627403,3.645182004,12.75814516,1.78E-15,0.117122538,0.016731791,-1.501174194,41.0703189,5.867188414,2.600699985,37.83889638,18.70694819,28.66022708,37.53532495,5.362189278,18.70694821,-0.425,0.171357361,0.024479623,-1.23480285,104.0980491,14.87114987,3.251733264,0,11.89,12.11009426,-0.171570337,0.051003778,5.486556047,8.451504808,6,20,19,19,5,1,1,0,0,1,15.304898,3.576335142,3.024514659,2.623510758,2.226480312,1.827316197,1.198562597,0.376897208,0.083923071,1.911604203,1.584999584,1.394094114,1.116295809,0.882110178,0.460974563,0.083923071,0.083923071,3.597027661,3.062686366,2.680649249,2.295550517,1.911738537,1.304008844,0.498807424,0.270913902,1.858845362,1.50497306,1.292437336,1.003816273,0.752654428,0.312258728,0.270913902,0.270913902,3.69131,3.230950858,2.924242163,2.584478346,2.260431622,1.731715593,0.960747079,0.943918427,1.710781659,1.264450049,0.971091686,0.638971348,0.325314392,0.190244033,0.943918427,0.943918427,3.61244737,3.090860477,2.722390897,2.345712589,1.972815967,1.37989057,0.584626147,0.399277246,1.825865463,1.453503991,1.225759128,0.929322047,0.666352851,0.212277063,0.399277246,0.399277246,3.739190402,3.312531529,3.037398407,2.715506858,2.415963933,1.917978701,1.207644823,1.207644823,1.666908145,1.188349523,0.863875172,0.51374779,0.175789856,0.370830383,1.145139211,1.207644823,3.622710018,3.136509311,2.769757733,2.533340388,1.988998355,1.388498804,0.623784667,0.518518519,1.877504931,1.392158348,1.160691916,0.748144737,0.605151601,0.168836631,0.518518519,0.518518519,0,0,1,0,1,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.40824829,0,0.144337567,0,1.276142375,0.707106781,0.23570226,0.90104757,0.49279928,0.144337567,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,5.491563832,2.834933866,2.155648531,1.453633428,0.348461713,0,0,0,0.784509119,0.472488978,0.30794979,0.242272238,0.174230856,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,3,1,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.119861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.353194444,0,0,0,1.002708333,0.580555556,0,0.353194444,0,0,0,0,0,0,0,0,6.454212963,3.82587963,1.217592593,0,0,0,0.708333333,0,0,1.293981481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.293981481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.353194444,0,0,0,0.225625,0.290277778,0,0.353194444,0,0,0,0,0,0,0,0,2.077546296,3.82587963,1.217592593,0,0,0,0.708333333,0,0,1.293981481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.82587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.353194444,0,0,0,0.290277778,0.290277778,0,0.353194444,0,0,0,0,0,0,0,0,2.196759259,3.82587963,1.217592593,0,0,0,0.708333333,0,0,1.293981481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.5,1.928571429,0.353194444,3.82587963,0.053819444,0.708333333,4.71031963,0.625,0.82587963,2.560185185,0.625,0.82587963,2.560185185,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0.28571,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.19858,0.88551,7.55695,1.35837,0.19405,2.65631,0.37947,3.18073,0.52442,0.07492,0.23327,0.03332,0.23327,0.03332,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.153291232,3.236857303,3.522571589,3.313413617,2.476781727,19.28421252,45.21911587,67.97400337,73.97400337,69.58168595,52.01241626,0.209068641,0.49024035,0.736936107,0.80198475,0.754365702,0.563889512,3.474021589,2.239026191,1.155460119,0.869745834,1.078903806,1.915535696,0.209068641,0.49024035,0.736936107,0.80198475,0.754365702,0.563889512,6.73287657,17.21697421,19.35589302,19.64384303,17.13394736,9.393465712,27.64912502,16.33397711,14.58757905,13.89556055,12.64061271,8.666611233,7,3.06122449,2.666666667,7,2,5,2.23,1.0519,1.944161297,1.941967087,4.930998067,0,0,1.414213562,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.108,0.104,0.16,2.909,7,6,2,0,0,0,0,0,0,28,2.079441542,2.302585093,2.197224577,1.386294361,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,2,1.111111111,0.25,0,0,0,0,0,0,0,0.333333333,0.158730159,0.041666667,0,0,0,0,0,0,0,0.533730159,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,0,126.9918924,3.807354922,3.295836866,3.970291914,4.691347882,5.398162702,6.120297419,6.834108739,7.556427969,8.272059622,8.994296558,68.13282967,2.564949357,0,3.713572067,0,5.056245805,0,6.463029457,0,7.890956716,8.168486417,98.10955045,4.671883355,12.50524286,1.786463266,0,0,0,46,6,3.385,26,1.2229,2.118136922,2.946324812,3.58173391,4.129346361,5.488026661,0,0,0,0,73.6156376,83.32655336,88.96345481,52.48738492,17.9514212,5.576186321,0,0,0,0,277.7186352,345.4274624,422.7224234,354.6547899,232.1067643,170.5884182,0,0,0,0,8.892335553,15.05679023,20.89042001,25.03377489,28.23793652,36.87110955,0,0,0,0,2.107286619,2.793656505,3.591862799,3.393853852,2.665608797,2.440047476,0,0,0,0,175.5375183,329.4308919,460.9480308,586.3976925,724.1548729,1014.833004,0,0,0,0,2.90705,3.938085829,5.865091075,6.411883499,5.683300326,5.488026661,0,0,0,0,0.4370085,0.587139672,0.76088883,0.733290341,0.593504689,0.56197393,0,0,0,0,354.5279456,147.7386067,10.51143688,148.6263268,-61.93544601,-9.570208684,205.9016188,209.6740527,20.08164556,0.704610822,0.293624868,0.020891081,0.295389178,-0.123094346,-0.019020426,178.3822505,74.33531113,5.288874373,74.78197131,-31.16308427,-4.815291387,0.128240185,0.238663013,4.039796235,5.479109846,503.1542724,0,1,0,395.3145785,19.88251942,7.339181199,531.3577082,23.05119754,8.099576812,655.5834736,25.60436435,8.687123567,1.310033407,1.307020727,363.2903902,286.2986263,116.8443387,1.268921178,3.109182648,2.450256723,3.837464732,3.477616438,6.454645435,0.856054442,4.067936095,4.914017717,5.046726241,15.95109288,4.110236884,7.7818954,9.118503607,8.871124823,4.024302094,1.65651714,0.11409806,1.628283808,2.42E-13,6.96E-48,3.86E-104,4.12E-182,8.49E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0.341404395,4.913792679,0.206103661,6.783699482,1.578332741,1.370271767,0.661811076,0.368368444,0.951360007,0.023760617,8.35E-04,0.011468136,1.71E-15,4.90E-50,2.72E-106,2.90E-184,5.98E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,1.102068962,4.91380822,0.808600607,8.03905114,1.768872405,2.328299734,1.936337604,1.435566766,1.279082203,0.152649862,0.008454788,0.119506819,1.78E-14,5.11E-49,2.83E-105,3.02E-183,6.23E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,3.839800494,4.913993188,4.613982311,15.1719835,3.839809904,7.265306885,8.441006938,8.114135974,3.730214708,1.48425413,0.101680928,1.450771558,2.16E-13,6.20E-48,3.44E-104,3.67E-182,7.57E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,1.62424134,4.913827913,1.33668176,9.083686763,1.996549995,3.090092256,2.945368711,2.366625425,1.592990111,0.301816258,0.018287696,0.25958478,3.87E-14,1.11E-48,6.15E-105,6.57E-183,1.35E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,4.912619538,4.914120747,6.803859279,19.08317982,5.242563397,9.835466303,11.80839157,11.94239206,5.233489563,2.376428498,0.166298926,2.374698905,3.54E-13,1.02E-47,5.63E-104,6.01E-182,1.24E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,2.256336612,3.541780767,1.717339383,9.627696366,2.399513549,4.515568049,4.138438764,3.208968798,2.033172262,0.487666942,0.030786331,0.437782752,6.52E-14,1.87E-48,1.04E-104,1.11E-182,2.28E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,3.593986084,1.574079429,0.55786763,0.627668189,0.274903564,0.509271799,0.466133779,0.490385621,5.725933143,8.540316024,17.42222884,0.441502283,1.465791198,2.725995987,0.994293221,0.203284097,0.694773813,0.253415227,0.295975077,0.194110348,0.066078986,3.923573306,3.466714964,7.941277482,0.54216072,0.55616441,3.069734045,1.22544697,0.344231116,0.661664443,0.264138416,0.373414918,0.289615199,0.188347492,4.639412131,5.240331237,11.1746707,0.492496665,0.851377609,3.572404659,1.559807697,0.549099436,0.628799261,0.274550624,0.50325302,0.458159021,0.47525386,5.681311792,8.390359194,17.13139816,0.443198892,1.436665901,3.223403911,1.328085603,0.407001445,0.650077602,0.267840683,0.411006909,0.33758672,0.262607534,4.958490959,6.133419135,12.8342655,0.475116403,1.011201163,3.661577454,1.618737277,0.58531595,0.624242755,0.27596986,0.528359898,0.491495071,0.539257885,5.865630681,9.01778435,18.35265988,0.436364132,1.559112854,3.576641443,1.567558688,0.548685894,0.628265071,0.275353956,0.504793476,0.464352251,0.473761094,5.692886025,8.429145417,17.19829123,0.442397607,1.442906821 +UMLRON0209,L,"2,3-Dimethyl-1-Pentene",CCC(C)C(=C)C,18851,,"Sandia, UML",[1],C7H14,PubChem,,99.3,0,1.9286,3.71949796,34.1224,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1371.110168,1261.140054,536.942617,98.129808,6.096384,0,0,3399.790734,4147.41404,5680.578881,6461.34309,4767.043981,1723.781626,186.5024666,0,0,146.842108,144.889944,255.226976,326.755032,415.904932,284.171328,40.310784,0,0,25.74688067,32.32302034,46.13219522,55.92372116,49.08900354,22.01839903,2.667677429,0,0,3476.407621,2904.481805,5651.532332,7140.02888,10083.0827,7607.565863,1109.505912,0,0,42.8125,47.375,65,93.25,102,50,6,0,0,48.76541633,51.7541979,38.08639356,27.41608813,8.949043617,2.336424,1.016064,0,0,161.8947969,207.370702,157.7938578,140.4639802,79.45073302,41.04241966,31.08374443,0,0,6.992481333,7.2444972,7.089638222,7.103370261,6.931748867,6.765984,6.718464,0,0,1.226041937,1.616151017,1.281449867,1.215733069,0.818150059,0.524247596,0.444612905,0,0,165.54322,145.2240902,156.9870092,155.2180191,168.0513783,181.1325206,184.917652,0,0,2.038690476,2.36875,1.805555556,2.027173913,1.7,1.19047619,1,0,0,0.046161903,-0.014766169,0.007523544,-0.010980377,-0.033035299,0.020835848,0.007341501,0,0,564.9747087,-53.80711511,121.066009,-430.4569209,-363.198027,363.198027,80.71067267,0,0,1050.594596,-100.0566282,225.1274134,-800.4530256,-675.3822403,675.3822403,150.0849423,0,0,0.110674667,-0.010540444,0.023716,-0.084323556,-0.071148,0.071148,0.015810667,0,0,4.696646663,-0.447299682,1.006424285,-3.578397457,-3.019272855,3.019272855,0.670949523,0,0,25.51225921,-2.429738973,5.466912688,-19.43791178,-16.40073807,16.40073807,3.644608459,0,0,6.142857143,-2.272959184,1.335459184,0.136479592,-4.658163265,1.767857143,0.619897959,0,0,0.002198186,-7.38E-04,2.09E-04,-2.39E-04,-5.51E-04,4.96E-04,0.001223583,0,0,26.90355756,-2.690355756,3.362944694,-9.35775915,-6.05330045,8.647572071,13.45177878,0,0,50.0283141,-5.00283141,6.253539262,-17.40115273,-11.25637067,16.08052953,25.01415705,0,0,0.005270222,-5.27E-04,6.59E-04,-0.001833121,-0.0011858,0.001694,0.002635111,0,0,0.223649841,-0.022364984,0.02795623,-0.077791249,-0.050321214,0.071887449,0.111824921,0,0,1.214869486,-0.121486949,0.151858686,-0.4225633,-0.273345634,0.390493763,0.607434743,0,0,0.292517007,-0.113647959,0.037096088,0.002966948,-0.077636054,0.042091837,0.103316327,0,0,-0.335871699,0.095072639,-0.108591297,-0.250473956,0.22568229,0.556633305,0,0,-0.1,0.125,-0.347826087,-0.225,0.321428571,0.5,0,0,-0.1,0.125,-0.347826087,-0.225,0.321428571,0.5,0,0,-0.1,0.125,-0.347826087,-0.225,0.321428571,0.5,0,0,-0.1,0.125,-0.347826087,-0.225,0.321428571,0.5,0,0,-0.1,0.125,-0.347826087,-0.225,0.321428571,0.5,0,0,-0.388517442,0.12681686,0.010142821,-0.265406977,0.143895349,0.353197674,0,0,1.62814691,0.769096187,1.191883164,1.232718218,0.470842204,0.197417978,0,0,1.5,1.011904762,1.49068323,1.071428571,0.255102041,0,0,0,1.5,1.011904762,1.49068323,1.071428571,0.255102041,0,0,0,1.5,1.011904762,1.49068323,1.071428571,0.255102041,0,0,0,1.5,1.011904762,1.49068323,1.071428571,0.255102041,0,0,0,1.5,1.011904762,1.49068323,1.071428571,0.255102041,0,0,0,1.75,0.618943798,0.931180485,1.451550388,0.542635659,0,0,0,24.24774385,12.12387192,17.0896389,24.24774385,3.463963407,12.12388698,-1.07E-14,0.123236486,0.017605212,-1.465555085,44.05638104,6.29376872,2.649829141,24.24774385,12.12387192,17.0896389,24.24774385,3.463963407,12.12388698,-1.07E-14,0.123236486,0.017605212,-1.465555085,44.05638104,6.29376872,2.649829141,24.24774385,12.12387192,17.0896389,24.24774385,3.463963407,12.12388698,-1.07E-14,0.123236486,0.017605212,-1.465555085,44.05638104,6.29376872,2.649829141,24.24774385,12.12387192,17.0896389,24.24774385,3.463963407,12.12388698,-1.07E-14,0.123236486,0.017605212,-1.465555085,44.05638104,6.29376872,2.649829141,24.24774385,12.12387192,17.0896389,24.24774385,3.463963407,12.12388698,-1.07E-14,0.123236486,0.017605212,-1.465555085,44.05638104,6.29376872,2.649829141,24.24774385,12.12387192,17.0896389,24.24774385,3.463963407,12.12388698,-1.07E-14,0.123236486,0.017605212,-1.465555085,44.05638104,6.29376872,2.649829141,38.25689438,18.89630433,27.47263607,37.92526172,5.417894532,18.89630435,-0.464285714,0.185875667,0.026553667,-1.177874099,25.01253362,3.573219088,2.253563931,0,11.79,12.21004853,-0.303952071,0.116441427,5.604899281,9.068252625,6,20,19,19,5,1,1,0,0,1,15.304898,3.594808518,2.924365705,2.681063553,2.333552793,1.729949961,1.196484347,0.389351363,0.083923071,1.925649086,1.519127486,1.376090759,1.249629723,0.829673767,0.445866997,0.083923071,0.083923071,3.615348041,2.964113348,2.732747447,2.405454588,1.81888028,1.298703314,0.509286361,0.270913902,1.873750435,1.433197023,1.28469833,1.134540686,0.696046594,0.296816899,0.270913902,0.270913902,3.708659973,3.140931253,2.95291192,2.704236987,2.184608937,1.718422297,0.961632092,0.943918427,1.727884974,1.176413492,0.995208572,0.76031856,0.252348167,0.204280867,0.943918427,0.943918427,3.630638274,2.993542207,2.770496013,2.457539916,1.883135558,1.372604289,0.593527419,0.399277246,1.841295561,1.378015174,1.224719456,1.058262671,0.606771423,0.196755918,0.399277246,0.399277246,3.755911509,3.22748253,3.055034817,2.838982085,2.346819753,1.903191427,1.207644823,1.207644823,1.684547262,1.095934025,0.898384339,0.631337262,0.09608908,0.382853602,1.141885182,1.207644823,3.614818061,3.121531281,2.828373512,2.514291495,1.887824891,1.479397162,0.549579979,0.509090909,1.911982192,1.324246326,1.056913759,0.987018768,0.572015797,0.089094084,0.509090909,0.509090909,0,0,1,1,0,3,1,0,1,0,0,0,0,0,0,0,0,0,0,1.207106781,0.25,0,0,1.050476816,0.204124145,0,0,1.707106781,1,0,1.254600961,0.637136847,0,5.914213562,3.121320344,2.871320344,1.914213562,0.25,0,0,0,0.844887652,0.520220057,0.358915043,0.319035594,0.25,0,0,0,5.491563832,2.757583597,2.546258731,1.463816784,0.144337567,0,0,0,0.784509119,0.459597266,0.318282341,0.243969464,0.144337567,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,34,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,4,0,0,2,0,0,0,0,0,0,0,0,3,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.69625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.365347222,0.288541667,0,0,0.955833333,0,0,0.653888889,0,0,0,0,0,0,0,0,6.529444444,3.703194444,1.177083333,0,1.993055556,0,0,0,0,0,0,0,0.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.993055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.365347222,0.288541667,0,0,0.225625,0,0,0.288541667,0,0,0,0,0,0,0,0,2.168333333,3.703194444,1.177083333,0,1.993055556,0,0,0,0,0,0,0,0.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.703194444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.365347222,0.288541667,0,0,0.243402778,0,0,0.365347222,0,0,0,0,0,0,0,0,2.180555556,3.703194444,1.177083333,0,1.993055556,0,0,0,0,0,0,0,0.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.75,1.964285714,0.365347222,3.703194444,0.090277778,0.347222222,5.208815,0.902777778,0.703194444,2.465277778,0.902777778,0.703194444,2.465277778,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0,0.14286,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.3762,0.91089,7.84027,1.46407,0.20915,2.59933,0.37133,3.12132,0.52199,0.07457,0.29268,0.04181,0.29268,0.04181,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.127387765,2.748063851,3.141619208,2.932461236,2.191067441,19.28421252,44.67514307,57.70934087,65.97400337,61.58168595,46.01241626,0.209068641,0.484342902,0.62565238,0.715253226,0.667634179,0.498840869,3.474021589,2.264929658,1.644253572,1.250698215,1.459856187,2.201249982,0.209068641,0.484342902,0.62565238,0.715253226,0.667634179,0.498840869,6.73287657,15.74885826,17.81640094,18.21303588,15.70314021,6.806414673,27.64912502,18.81705526,16.36808494,15.95461758,14.69966974,8.312839875,7,2.34375,2.666666667,7,2,5,2.23,1.0519,2.039648903,4.298279727,0,2.828427125,0.5,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.159,0.147,0.088,0.146,2.748,8,6,1,0,0,0,0,0,0,28,2.079441542,2.302585093,2.302585093,1.098612289,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,3,1.111111111,0.125,0,0,0,0,0,0,0,0.5,0.138888889,0.020833333,0,0,0,0,0,0,0,0.659722222,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,0,126.9918924,3.807354922,3.36729583,4.043051268,4.844187086,5.549076085,6.354370041,7.063903961,7.870547845,8.580918882,9.387900612,70.06125161,2.564949357,0,3.80666249,0,5.262690189,0,6.767343125,0,8.282230063,8.532278829,98.10955045,4.671883355,12.44270382,1.777529117,0,0,0,44,6,3.735,28,1.2236,2.128273493,2.955360339,3.512902526,3.977693303,5.88270204,0,0,0,0,73.7959167,92.30288371,86.26749321,35.02373153,11.18692623,5.977201766,0,0,0,0,278.2003652,367.276639,429.9829175,289.6952343,177.5345353,182.8564068,0,0,0,0,8.897867644,15.15726891,21.02624151,24.37597088,26.98115119,39.52272188,0,0,0,0,2.110244062,2.917181255,3.683287078,2.939794509,2.199489397,2.615525242,0,0,0,0,175.6104775,329.2192229,456.3427875,588.4998736,715.0618734,1087.815449,0,0,0,0,2.94925625,4.031754994,6.120575664,6.089784237,5.003674726,5.88270204,0,0,0,0,0.43759575,0.611177716,0.780674286,0.641335041,0.495963888,0.602388689,0,0,0,0,332.4722634,142.7893348,10.0395173,138.8457962,-59.63113635,-8.848642653,193.6264672,202.4204711,18.88815995,0.705409557,0.302957487,0.021300939,0.294590443,-0.126519948,-0.018774249,156.7001821,67.2991922,4.731805814,65.44053125,-28.10523148,-4.170525086,0.133110846,0.237778982,2.959407983,4.337140436,471.3180596,0,1,0,393.1393776,19.82774263,7.32569526,529.3948196,23.00858143,8.089590956,672.7778405,25.93796138,8.762416508,1.614441754,1.548464708,290.8915689,288.2890226,113.973222,1.009027559,2.552279945,2.529445228,3.686870922,3.477616438,6.522108179,0.875453575,4.149594424,4.863402428,3.084841805,23.96954976,7.400021118,9.346852094,12.02629524,6.708010019,3.13400236,0.660501497,0.648627375,1.904596213,2.41E-10,5.90E-42,2.78E-95,2.53E-170,4.43E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348257413,4.863167187,0.180557288,8.282387172,3.088913267,0.417230815,0.760548217,0.200758733,0.802990498,0.055423534,0.035200744,0.013414227,1.70E-12,4.15E-44,1.96E-97,1.78E-172,3.12E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,1.124191339,4.863183385,0.634476192,10.38972176,3.435009371,1.581698753,2.575922696,0.886736287,0.993018799,0.178919051,0.126306161,0.139786586,1.77E-11,4.33E-43,2.04E-96,1.85E-171,3.25E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,3.916879296,4.86337677,2.857902722,22.62190672,6.947224555,8.567317154,11.16531871,6.082419421,2.890199663,0.623454177,0.599007543,1.696960936,2.15E-10,5.25E-42,2.48E-95,2.25E-170,3.95E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.656845653,4.863203953,0.987321796,12.16139474,3.831117355,2.576519953,3.965890753,1.548347914,1.20832154,0.263698947,0.198974555,0.303635145,3.85E-11,9.40E-43,4.43E-96,4.03E-171,7.06E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,5.011233796,4.863510209,3.980890848,29.39899977,9.290974802,12.49752541,15.40859706,9.282283186,4.151485264,0.797676588,0.84604765,2.777674579,3.52E-10,8.60E-42,4.05E-95,3.69E-170,6.46E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,2.26555339,3.183992084,1.250059932,13.03601813,5.412464099,3.879238234,6.24699057,2.185525701,1.885730066,0.513500935,0.271373426,0.493620969,6.25E-11,1.53E-42,7.20E-96,6.55E-171,1.15E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,3.031791306,1.123227508,1.027206931,0.585036518,0.216746156,0.419202518,0.44464,0.407969699,5.182225746,7.67345552,16.35372291,0.377554777,1.271812218,2.390880754,0.601280981,0.56750317,0.671658939,0.168915052,0.259342762,0.128140748,0.124520962,3.559664905,3.135652395,7.51115482,0.507488409,0.512004471,2.644847039,0.809163562,0.750082803,0.62911234,0.192470405,0.317898248,0.23166418,0.217533968,4.204093404,4.730907805,10.54026381,0.44366851,0.767096395,3.015867554,1.110362174,1.015825982,0.586510089,0.215937406,0.414741782,0.434595099,0.398979452,5.142055711,7.540236622,16.08399414,0.379765134,1.248316333,2.758304359,0.901571389,0.831465963,0.614138165,0.200735425,0.346077696,0.287309875,0.267299814,4.491341711,5.529870405,12.08890857,0.421207248,0.900687385,3.081661639,1.163488124,1.062837636,0.580570639,0.219195721,0.433336271,0.476796213,0.436763442,5.3079874,8.097381661,17.21614866,0.370855959,1.346895926,3.036353928,1.108256568,1.015056981,0.588478607,0.214792246,0.420203918,0.433173502,0.398375312,5.159667477,7.572075002,16.1474693,0.38271791,1.251752732 +UMLRON0210,L,"3,3-Dimethyl-1-Pentene",CCC(C)(C)C=C,18852,,"Sandia, UML","[1], [9]",C7H14,PubChem,,103.5,0,2.1915,4.80267225,39.2359,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1421.570648,1143.122237,844.685524,764.844868,296.666496,36.578304,0,3885.475125,4800.404174,6201.692835,6329.46691,5024.161862,3859.887636,2940.181259,1119.0148,0,167.819552,166.665724,297.134432,346.886708,413.98024,250.741264,211.133952,241.864704,0,29.42500648,37.33900896,51.47559827,56.25113559,48.76361937,34.74825263,29.39274087,16.00606457,0,3973.037281,3337.521256,6633.857827,7689.314923,10258.45896,5979.410829,4784.447057,6657.035473,0,42.80555556,50.66666667,73.5,89.88888889,83.66666667,56,54,36,0,48.76541633,52.3287937,33.84692019,23.32902524,14.07809207,21.24569078,9.8888832,1.016064,0,161.8947969,208.713225,147.6593532,129.1727941,83.73603103,107.219101,98.00604198,31.08374443,0,6.992481333,7.246335826,7.074629333,7.079320571,6.899670667,6.965035111,7.0377984,6.718464,0,1.226041937,1.623435172,1.225609483,1.147982359,0.812726989,0.96522924,0.979758029,0.444612905,0,165.54322,145.1096198,157.9489959,156.9247943,170.9743159,166.0947452,159.4815686,184.917652,0,1.783564815,2.202898551,1.75,1.83446712,1.394444444,1.555555556,1.8,1,0,0.041976541,-7.81E-04,-0.005865297,-0.030700449,0.013009357,0.008308338,-0.027907544,0.022948758,0,645.6853813,-53.80711511,40.35533633,-511.1675936,201.7766817,80.71067267,-564.9747087,484.264036,0,1200.679538,-100.0566282,75.04247115,-950.5379679,375.2123557,150.0849423,-1050.594596,900.5096538,0,0.126485333,-0.010540444,0.007905333,-0.100134222,0.039526667,0.015810667,-0.110674667,0.094864,0,5.367596186,-0.447299682,0.335474762,-4.24934698,1.677373808,0.670949523,-4.696646663,4.025697139,0,29.15686767,-2.429738973,1.822304229,-23.08252024,9.111521147,3.644608459,-25.51225921,21.86765075,0,4.045138889,-1.569878472,1.750868056,-3.384982639,0.532986111,2.307291667,-4.299479167,2.640625,0,0.001749023,-3.40E-05,-1.40E-04,-6.27E-04,2.17E-04,2.31E-04,-9.30E-04,6.37E-04,0,26.90355756,-2.339439787,0.960841341,-10.43199171,3.362944694,2.24196313,-18.83249029,13.45177878,0,50.0283141,-4.350288182,1.786725503,-19.39873404,6.253539262,4.169026175,-35.01981987,25.01415705,0,0.005270222,-4.58E-04,1.88E-04,-0.002043556,6.59E-04,4.39E-04,-0.003689156,0.002635111,0,0.223649841,-0.019447812,0.007987494,-0.086721367,0.02795623,0.018637487,-0.156554889,0.111824921,0,1.214869486,-0.105640825,0.043388196,-0.471071842,0.151858686,0.101239124,-0.85040864,0.607434743,0,0.168547454,-0.068255586,0.041687335,-0.069081278,0.008883102,0.064091435,-0.143315972,0.073350694,0,-0.019425347,-0.079844558,-0.358222815,0.123967885,0.131952083,-0.531869347,0.364469574,0,-0.086956522,0.035714286,-0.387755102,0.125,0.083333333,-0.7,0.5,0,-0.086956522,0.035714286,-0.387755102,0.125,0.083333333,-0.7,0.5,0,-0.086956522,0.035714286,-0.387755102,0.125,0.083333333,-0.7,0.5,0,-0.086956522,0.035714286,-0.387755102,0.125,0.083333333,-0.7,0.5,0,-0.086956522,0.035714286,-0.387755102,0.125,0.083333333,-0.7,0.5,0,-0.404963613,0.247332925,-0.409862486,0.052703863,0.380257511,-0.850300429,0.435193133,0,1.362684452,1.239212783,1.545084133,0.740250766,0.858322138,1.380495031,0.004797343,0,1.5,1.078125,1.496173469,0.6828125,0.838541667,1.725,0,0,1.5,1.078125,1.496173469,0.6828125,0.838541667,1.725,0,0,1.5,1.078125,1.496173469,0.6828125,0.838541667,1.725,0,0,1.5,1.078125,1.496173469,0.6828125,0.838541667,1.725,0,0,1.5,1.078125,1.496173469,0.6828125,0.838541667,1.725,0,0,1.867811159,0.641160842,1.630971359,0.713361946,0.421173104,2.274334764,0,0,34.50297456,17.25148728,26.63429192,34.50297456,4.31287182,17.25148738,0,0.075046949,0.009380869,-2.071713101,29.00200222,3.625250278,2.693891896,34.50297456,17.25148728,26.63429192,34.50297456,4.31287182,17.25148738,0,0.075046949,0.009380869,-2.071713101,29.00200222,3.625250278,2.693891896,34.50297456,17.25148728,26.63429192,34.50297456,4.31287182,17.25148738,0,0.075046949,0.009380869,-2.071713101,29.00200222,3.625250278,2.693891896,34.50297456,17.25148728,26.63429192,34.50297456,4.31287182,17.25148738,0,0.075046949,0.009380869,-2.071713101,29.00200222,3.625250278,2.693891896,34.50297456,17.25148728,26.63429192,34.50297456,4.31287182,17.25148738,0,0.075046949,0.009380869,-2.071713101,29.00200222,3.625250278,2.693891896,34.50297456,17.25148728,26.63429192,34.50297456,4.31287182,17.25148738,0,0.075046949,0.009380869,-2.071713101,29.00200222,3.625250278,2.693891896,41.96311978,20.88833072,32.92581477,41.82327603,5.227909504,20.88833073,-0.186458333,0.174177294,0.021772162,-1.398145255,38.06621136,4.75827642,2.911461638,0,11.89,12.11011416,-0.173257305,0.0497216,5.7984375,7.816780726,7,23,22,22,6,1,1,0,0,1,17.491312,3.580991052,3.241845725,2.473697634,2.333552793,2.333552793,1.667140411,0.99246756,0.35459798,1.91620661,1.711806279,1.249629723,1.249629723,1.234184889,0.652665637,0.376261594,0.083923071,3.601636472,3.272849514,2.529041149,2.405454588,2.405454588,1.74347493,1.112349535,0.480288334,1.863414595,1.642452585,1.134540686,1.134540686,1.132871213,0.528122103,0.218209928,0.270913902,3.695817684,3.410942684,2.767581608,2.704236987,2.704236987,2.063699741,1.589833325,0.959218208,1.715285943,1.438770041,0.81382936,0.76031856,0.76031856,0.124103716,0.324487942,0.943918427,3.617027788,3.295799017,2.569639004,2.457539916,2.457539916,1.79900572,1.198085869,0.569009152,1.830413179,1.598270025,1.066486125,1.058262671,1.058262671,0.44565858,0.111352412,0.399277246,3.743697063,3.478931018,2.879431616,2.838982085,2.838982085,2.208909091,1.793657037,1.207644823,1.67142717,1.375727223,0.708139358,0.631337262,0.631337262,0.014724005,0.523397577,1.150770461,3.61578964,3.307234903,2.629396482,2.581467583,2.581467583,1.858162397,1.245284609,0.654523211,1.838576812,1.548125754,0.993688571,0.926295169,0.926295169,0.351946527,0.026329441,0.551724138,0,0,0,1,1,4,1,1,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.696923425,0,0,0,0.577350269,0.333333333,0.666666667,0.439826406,0.23570226,0.471404521,6.568914101,3.625897658,3.365043969,1.321367205,0.666666667,0.666666667,0,0,0.821114263,0.51798538,0.420630496,0.264273441,0.166666667,0.166666667,0,0,6.36180732,3.259872254,2.911023525,0.997503941,0.471404521,0.471404521,0,0,0.795225915,0.465696036,0.363877941,0.199500788,0.11785113,0.11785113,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,56,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,3,0,1,0,0,0,0,0,0,0,0,4,0,1,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.711759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,0.984930556,0.870833333,0,0.272916667,0,0,0,0,0,0,0,0,8.753611111,0,1.224537037,0,2.282407407,0,0.810092593,0,0,1.429351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.429351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,0.225625,0.290277778,0,0.272916667,0,0,0,0,0,0,0,0,2.14125,0,1.224537037,0,2.282407407,0,0.810092593,0,0,1.429351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.282407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,0.290277778,0.290277778,0,0.272916667,0,0,0,0,0,0,0,0,2.235555556,0,1.224537037,0,2.282407407,0,0.810092593,0,0,1.429351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.5,1.8125,0.290277778,2.282407407,0.061597222,0.810092593,5.153611667,0.523240741,0.282407407,2.072037037,0.523240741,0.282407407,2.072037037,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.5,0.25,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.74717,0.9684,8.87961,1.13244,0.14155,3.03453,0.37932,3.62588,0.59135,0.07392,0.28812,0.03601,0.28812,0.03601,0,7,0,0,0,0,0,0,0.75,0.918295834,1.976489212,3.04248125,3.04248125,3.04248125,2.660401042,22.03910002,47.43574108,73.01955001,73.01955001,73.01955001,63.84962501,0.200284263,0.43108078,0.663578219,0.663578219,0.663578219,0.580244886,3.666666667,2.608473289,1.54248125,1.54248125,1.54248125,1.924561459,0.200284263,0.43108078,0.663578219,0.663578219,0.663578219,0.580244886,6.73287657,16.95949615,18.03382961,18.03382961,18.03382961,13.44886711,31.59900002,18.30285172,18.73446146,18.73446146,18.73446146,16.44198021,8,3.9375,7.2,8,2,6,2.34,1.1928,1.62865057,3.265986324,4,0,1,2.828427125,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.096,0.164,0.169,3.455,8,5,4,4,0,0,0,0,0,36,2.197224577,2.48490665,2.197224577,2.197224577,2.197224577,0,0,0,0,0,3.951243719,1.416666667,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,3,5,0.666666667,2.5,0.666666667,0.25,0.32,0,0,0,0,0,0,0.357142857,0.083333333,0.05,0.08,0,0,0,0,0,0,0.57047619,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,0,144.287877,4,3.433987204,4.043051268,4.779123493,5.424950017,6.150602768,6.814542897,7.529943371,8.204398418,8.912338567,70.292938,2.708050201,0,3.850147602,0,5.105945474,0,6.408528791,0,7.738488122,8.049746291,112.1252005,4.671883355,14.50192071,1.812740089,0,0,0,74,5,3.913,30,1.215576399,2.105583568,2.986458221,3.603757336,4.541215233,5.748666369,6.151188616,0,0,0,74.72146208,82.69446583,77.3622597,61.76251615,114.2002136,57.66791925,6.25000131,0,0,0,279.6692386,343.6092748,406.4784207,334.8293212,545.9750672,569.5890191,191.2019749,0,0,0,8.844031061,14.97058929,21.18395933,24.94599159,31.79772093,40.48746797,41.32653927,0,0,0,2.114274048,2.780398302,3.550966754,3.135451694,4.769626021,5.681760326,2.734897839,0,0,0,174.1781444,327.2231683,465.7135188,610.2137136,741.6877426,914.4555183,1137.463356,0,0,0,2.757742584,3.884153174,5.591750786,5.207964864,7.497482679,10.42153574,6.151188616,0,0,0,0.438165729,0.584379365,0.755176671,0.67747416,1.017249923,1.231650261,0.629881714,0,0,0,360.7221191,163.4040296,9.584305335,81.8922884,-37.09650506,-4.887462993,278.8298307,200.5005346,14.47176833,0.814980518,0.369179193,0.021653849,0.185019482,-0.08381224,-0.011042259,159.660807,72.32497773,4.242151627,36.24670671,-16.41944761,-2.163261537,0.126169413,0.187737457,1.069001201,1.239858867,442.6144075,0,1,0,455.4221431,21.3406219,7.693749598,615.639299,24.8120797,8.506980651,744.3720783,27.28318307,9.062820077,1.734682102,1.734682102,640.6661335,559.2359,126.0096506,1.145609811,5.084262437,4.438040238,4.467247883,4.51988231,7.806463164,0.727138591,6.5276077,5.840172439,2.247873845,18.3017916,9.169399408,10.25403379,4.984378468,9.51591833,9.57630154,4.910157749,5.848353838,2.570280556,6.809229102,0.00466792,0.04124302,1.75E-21,1.59E-62,2.99E-125,1.12E-209,8.33842204E-316,0,0,0,0,0,0,0,0,0,0,0.547822387,5.830332636,0.182159382,7.632425467,2.068380713,0.675127359,0.738413353,1.342869035,2.417803887,0.258783509,0.325961359,0.226621015,0.174799417,3.36E-05,2.90E-04,1.23E-23,1.12E-64,2.10E-127,7.92E-212,5.87282E-318,0,0,0,0,0,0,0,0,0,0,1.768424054,5.830990301,0.592308536,8.533137783,2.778646383,2.301482975,1.419098025,2.348085047,3.379243826,0.736080294,1.160832126,0.64129803,0.825639131,3.44E-04,0.003027004,1.28E-22,1.17E-63,2.19E-126,8.25E-211,6.11993E-317,0,0,0,0,0,0,0,0,0,0,6.161529528,5.839092167,2.117341417,17.19681338,8.473174373,9.551264878,4.658640295,8.780995221,8.961264187,4.458373678,5.406847072,2.404263545,6.154238405,0.00415953,0.036746789,1.56E-21,1.42E-62,2.66E-125,1.00E-209,7.42938394E-316,0,0,0,0,0,0,0,0,0,0,2.606328833,5.831842862,0.877279801,9.530655708,3.485706359,3.515583348,1.94159614,3.235015789,4.187631901,1.203920048,1.820754629,0.944878766,1.481270894,7.46E-04,0.006575058,2.79E-22,2.53E-63,4.76E-126,1.79E-210,1.3293306E-316,0,0,0,0,0,0,0,0,0,0,7.883030397,5.8447148,2.735798837,22.90602182,12.04412749,12.98818328,6.265154934,12.50334998,12.05425031,6.772561143,7.600491503,3.210559137,9.51689905,0.006805368,0.060149069,2.55E-21,2.32E-62,4.35E-125,1.64E-209,1.21608049E-315,0,0,0,0,0,0,0,0,0,0,3.779247693,5.079191244,1.132749748,11.28410755,4.757521236,5.232514768,2.509940778,4.137327983,5.248863318,1.978957041,2.853529796,1.453657171,2.574943654,0.001423772,0.012554356,5.32E-22,4.84E-63,9.09E-126,3.42E-210,2.5382117E-316,0,0,0,0,0,0,0,0,0,0,5.893107475,1.630625676,0.552662695,0.72967046,0.201900168,0.628989453,0.590278065,0.408677762,8.076395846,13.767539,27.15472069,0.59450569,1.62794528,4.794451499,0.92521024,0.200679141,0.809826933,0.156276515,0.416688175,0.190221354,0.053805875,5.920340879,5.583692425,12.39422101,0.7147404,0.660715404,5.230787318,1.205293044,0.340575567,0.771883267,0.17785956,0.495800206,0.322709042,0.155157697,6.776655929,8.496603289,17.42046269,0.6578249,0.973666945,5.86590646,1.613154763,0.543956778,0.73113465,0.201065829,0.623208409,0.577713773,0.395906506,8.023018,13.53090098,26.70117252,0.596701975,1.596828689,5.425286678,1.330180108,0.402884007,0.757896174,0.185822146,0.533274624,0.392980977,0.217166882,7.158350792,9.938277943,20.00408485,0.636844261,1.143422483,5.978266994,1.685323829,0.579916808,0.72520913,0.204442563,0.647260711,0.630485241,0.449965888,8.243507631,14.51956095,28.60591357,0.587813694,1.72771184,5.875187747,1.615982676,0.544093383,0.731175465,0.201111341,0.625177277,0.579713454,0.396083679,8.035263806,13.57009787,26.77109396,0.596763197,1.60097441 +UMLRON0211,L,"2,5-dimethyl-2-hexene",CC(C)CC=C(C)C,18853,,UML,[1],C8H16,PubChem,,95.2,0,0.1642,0.02696164,33.9174,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1349.023542,784.154955,341.197081,87.883488,9.144576,0,3885.475125,5223.921076,7758.63172,7616.018954,5372.71753,2869.090631,1154.675865,279.7536999,0,167.819552,174.20624,341.883496,470.237784,449.544684,288.585892,143.482752,60.466176,0,29.42500648,40.12790896,63.51436973,69.27418059,53.32491663,30.38306877,13.35045943,4.001516144,0,3973.037281,3464.315612,7404.551417,10832.52895,11018.60478,7263.286629,3692.500067,1664.258868,0,36.55555556,44.58333333,74.77777778,96.91666667,86.33333333,54,27,9,0,48.76541633,56.15943233,37.32917321,20.13467973,12.06392238,8.123740024,4.184928,1.016064,0,161.8947969,217.6633782,161.6381608,113.6719247,82.65719278,68.31168168,54.98456499,31.08374443,0,6.992481333,7.258593333,7.122572833,7.018474388,6.916072062,6.871092667,6.832512,6.718464,0,1.226041937,1.671996207,1.323216036,1.033942994,0.820383333,0.723406399,0.635736163,0.444612905,0,165.54322,144.3464838,154.2614879,161.6795365,169.5169966,172.9353959,175.8333365,184.917652,0,1.523148148,1.857638889,1.55787037,1.446517413,1.328205128,1.285714286,1.285714286,1,0,0.032255029,-0.003035682,-0.005196084,-0.015953261,-1.14E-04,0.002817482,5.75E-04,0.004778912,0,645.6853813,6.32E-13,-80.71067267,-390.1015846,-53.80711511,40.35533633,40.35533633,121.066009,0,1200.679538,0,-150.0849423,-725.4105544,-100.0566282,75.04247115,75.04247115,225.1274134,0,0.126485333,2.94E-15,-0.015810667,-0.076418222,-0.010540444,0.007905333,0.007905333,0.023716,0,5.367596186,1.20E-14,-0.670949523,-3.242922696,-0.447299682,0.335474762,0.335474762,1.006424285,0,29.15686767,-1.14E-13,-3.644608459,-17.61560755,-2.429738973,1.822304229,1.822304229,5.466912688,0,2.314814815,-0.805555556,-0.074074074,-0.596450617,-0.097993827,0.449074074,-0.372685185,0.340277778,0,0.00134396,-1.26E-04,-1.08E-04,-2.38E-04,-1.76E-06,6.71E-05,2.74E-05,5.31E-04,0,26.90355756,2.63E-14,-1.681472347,-5.82241171,-0.827801771,0.960841341,1.921682683,13.45177878,0,50.0283141,0,-3.126769631,-10.8270232,-1.539332741,1.786725503,3.573451007,25.01415705,0,0.005270222,1.22E-16,-3.29E-04,-0.00114057,-1.62E-04,1.88E-04,3.76E-04,0.002635111,0,0.223649841,5.02E-16,-0.013978115,-0.048401831,-0.006881534,0.007987494,0.015974989,0.111824921,0,1.214869486,-4.74E-15,-0.075929343,-0.262919516,-0.0373806,0.043388196,0.086776392,0.607434743,0,0.096450617,-0.033564815,-0.00154321,-0.008902248,-0.001507597,0.01069224,-0.017746914,0.037808642,0,-0.094115011,-0.080546888,-0.177169306,-0.001306367,0.04991438,0.020381865,0.395093903,0,9.79E-16,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,0,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,2.32E-14,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,2.24E-15,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,-3.90E-15,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,-0.348,-0.016,-0.092298507,-0.015630769,0.110857143,-0.184,0.392,0,1.532779925,1.175602848,1.172861416,0.87034063,0.749025336,0.770059161,2.03E-05,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.8745,0.874,0.98041791,0.917169231,0.808285714,1.419428571,0,0,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,37.70519329,18.76231887,28.28933508,37.56977663,4.696222078,18.76231889,-0.180555556,0.079288157,0.00991102,-2.027733207,56.65885442,7.082356803,3.229638621,0,11.89,12.11011416,-0.163178056,0.057765027,5.47158872,8.391632439,8,24,24,24,8,0,0,0,0,0,17.491312,3.685989082,3.092821346,2.670943536,2.40090396,2.000350245,1.589017011,0.972022278,0.877194925,1.854241345,1.794539264,1.463589589,1.210734547,0.840676949,0.71947014,0.415151155,0.31945483,3.708521786,3.130308654,2.72129108,2.454611113,2.073125205,1.683813318,1.096376447,1.007695685,1.795418836,1.731647105,1.373528225,1.101293988,0.709085526,0.580517984,0.262315689,0.15462472,3.807905188,3.295836556,2.940502477,2.688356131,2.378721148,2.071155971,1.585579761,1.517481683,1.625089618,1.547459617,1.093912816,0.749844632,0.275686454,0.118286354,0.255749329,0.420338663,3.725133284,3.157994439,2.758334749,2.494130403,2.1260559,1.752167903,1.184872557,1.100332526,1.758190234,1.691652068,1.31486169,1.02906644,0.62139989,0.487591374,0.159423307,0.042618796,3.856582478,3.376213844,3.044680986,2.799242275,2.517788375,2.241595679,1.792298982,1.731344475,1.572877276,1.490407446,1.002393698,0.630707167,0.124872429,0.044424808,0.442305666,0.635939031,3.707159954,3.267489491,2.900482527,2.553728022,2.242082571,1.881001293,1.321967784,1.245365857,1.738938112,1.653368489,1.168678753,0.839162578,0.459893957,0.338590232,0.007169394,0.139155595,0,0,0,0,0,2,4,2,0,0,0,0.11785113,0.201184464,0.166666667,0,0,0.11785113,0.201184464,0.166666667,0.49279928,0,0,0,0.49279928,0,0,0,0.837103655,1.101444348,0.819035594,0.837103655,1.101444348,0.819035594,5.983127663,3.825698503,3.192497939,2.380766767,1.695748723,0.922588984,0.284517797,0,0.747890958,0.478212313,0.319249794,0.216433342,0.141312394,0.115323623,0.094839266,0,5.983127663,3.825698503,3.192497939,2.380766767,1.695748723,0.922588984,0.284517797,0,0.747890958,0.478212313,0.319249794,0.216433342,0.141312394,0.115323623,0.094839266,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,27.61847035,38.59269479,55.2369407,6.904617587,27.61847035,0.056518783,0.007064848,-2.298545802,32.88720351,4.110900438,2.794466905,59,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.678935185,0,5.885925926,0,0,0,2.101805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.308240741,0,1.407083333,0,0,0,1.027731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.497685185,0,0,0,1.074074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.370694444,0.2,1.027731481,5.751583657,0.305601852,0.370694444,1.35787037,0.305601852,0.370694444,1.35787037,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.29657,1.03707,8.29657,0,0,3.82569,0.47821,3.82569,0,0,0.08831,0.01104,0.17431,0.02179,0.208333333,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.772055209,3.522055209,3.371653522,3.538320189,22.03910002,34.03910002,66.52932501,84.52932501,80.91968454,84.91968454,0.200284263,0.309336409,0.604597139,0.768175358,0.735372104,0.77172282,3.666666667,3.166666667,1.812907292,1.062907292,1.213308978,1.046642312,0.200284263,0.309336409,0.604597139,0.768175358,0.735372104,0.77172282,6.73287657,12.73287657,18.67730206,18.51715625,18.36557767,20.36557767,31.59900002,23.74937501,18.28646667,17.30526354,17.74824261,15.16328011,6.125,2.52,1.487603306,2,0,2,2.34,1.1272,0.2,3.150627212,1.807204007,0,3.14734519,5.863977986,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,11,12,8,3,0,0,0,0,60,2.197224577,2.397895273,2.48490665,2.564949357,2.197224577,1.386294361,0,0,0,0,4.110873864,1,0.4,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,3,0.375,0,3,5,0.666666667,2,0.666666667,0.569444444,0.205,0,0,0,0,0,0,0.25,0.066666667,0.094907407,0.068333333,0,0,0,0,0,0,0.479907407,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,0,134.567877,4,3.610917913,4.369447852,5.176149733,5.958424693,6.767343125,7.556427969,8.363808885,9.155989777,9.961614941,76.92012489,2.833213344,0,4.043051268,2.397895273,5.424950017,4.59511985,6.876264612,6.529418838,8.365672384,8.758255243,112.1252005,4.671883355,15.46568272,1.93321034,0,0,0,63,6,4.43,36,1.331436567,2.359396726,3.243611672,4.055944433,4.938835536,5.999901781,7.123235952,0,0,0,94.01800751,103.5980495,75.70316523,58.05997243,47.61186938,27.67860672,7.237663614,0,0,0,334.770918,424.0756512,400.5964559,365.3990016,368.3766294,349.2817916,221.4168458,0,0,0,9.725938808,16.89518985,22.84635661,28.13594281,34.04417173,41.08687589,47.85720431,0,0,0,2.47012952,3.377681623,3.55504946,3.523827429,3.791231275,3.969325409,3.167082628,0,0,0,188.3541604,357.5733739,518.4589114,681.2156734,845.6918415,1047.616799,1317.212067,0,0,0,2.537543875,3.815804947,4.835444498,5.532364657,6.570710313,7.945828732,7.123235952,0,0,0,0.509638069,0.707345234,0.758849995,0.763852018,0.830483224,0.882149491,0.729419361,0,0,0,336.5869644,138.3187765,8.532416337,36.7320249,-15.09484704,-2.052796576,299.8549395,153.4136235,10.58521291,0.901606867,0.370510958,0.022855565,0.098393133,-0.04043418,-0.005498774,125.6543054,51.63702584,3.185313043,13.71276241,-5.63519304,-0.766347943,0.072708993,0.158000752,0.855707029,1.455890798,373.3189893,0,1,0,402.4237007,20.06050101,7.38291469,557.416278,23.60966493,8.229874559,659.8870066,25.68826593,8.706090801,1.406004067,1.039522121,585.9369575,563.6149656,143.3950696,1.039605038,4.086172273,3.930504495,4.502940619,4.389230947,8.333691565,0.898667823,4.462408855,4.441389222,3.592736028,11.49991877,11.00654551,8.182941316,6.528102446,12.83442988,6.097572568,2.642034858,2.099626353,4.67603053,1.3056939,1.89253498,0.418192817,0.062922621,5.23E-20,8.39E-60,2.60E-121,1.55E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0.374499053,4.441098655,0.777061924,4.313564792,1.17147997,3.313757666,0.275858435,0.684410461,0.504494822,0.107869506,0.748566068,1.19545768,0.016617002,0.058445993,0.002945367,4.43E-04,3.69E-22,5.91E-62,1.83E-123,1.09E-206,1.2563210686816E-311,0,0,0,0,0,0,0,0,0,1.208928595,4.441118701,1.13319838,5.488603258,2.438158763,4.009744988,0.98453492,2.148921433,1.119785668,0.42323995,0.906531824,1.70902662,0.114896254,0.254814924,0.030692989,0.004618164,3.84E-21,6.16E-61,1.91E-122,1.14E-205,1.30918341642953E-310,0,0,0,0,0,0,0,0,0,4.212149946,4.441357544,3.343028098,10.95672861,10.14235538,7.779460263,5.944567763,11.73134043,5.568954119,2.415467158,1.97523656,4.39329913,1.168459482,1.717280127,0.372602272,0.056062923,4.66E-20,7.48E-60,2.31E-121,1.38E-204,0.00E+00,0,0,0,0,0,0,0,0,0,1.781738316,4.441144121,1.442582545,6.381886512,3.527673018,4.57597615,1.639533428,3.455805175,1.698455345,0.699682161,1.049951913,2.120036368,0.231308908,0.442470219,0.066669272,0.01003127,8.34E-21,1.34E-60,4.14E-122,2.47E-205,2.84372132224983E-310,0,0,0,0,0,0,0,0,0,5.389004952,4.441522287,4.605099476,13.62833632,14.5038412,9.79651602,8.916635685,17.32660223,8.266241033,3.562014103,2.60750897,5.80194365,1.880026948,2.6129262,0.609894919,0.09176673,7.63E-20,1.22E-59,3.79E-121,2.26E-204,0.00E+00,0,0,0,0,0,0,0,0,0,2.966698408,4.244077618,1.951652004,7.535962332,5.785041382,5.810049988,3.075716652,6.429794715,3.06708517,1.358821736,1.474957681,3.68222592,0.559331849,0.989005156,0.16681376,0.025099328,2.09E-20,3.35E-60,1.04E-121,6.18E-205,7.11529978875355E-310,0,0,0,0,0,0,0,0,0,5.436042046,1.246093516,1.071882018,0.701061352,0.160702952,0.499747203,0.360810018,0.522243898,7.75401758,13.9362777,28.95102764,0.551592028,1.382801119,4.492964474,0.739842273,0.54278748,0.777922461,0.128098035,0.342827396,0.128008532,0.132016071,5.775594227,6.164387036,13.74425301,0.666883691,0.602851999,4.866921714,0.940787412,0.753650639,0.741755046,0.143382995,0.401470442,0.206444744,0.256709458,6.561359766,8.955722379,18.96785148,0.612632569,0.864624644,5.412636675,1.233547336,1.058853382,0.702480261,0.160096217,0.495489931,0.353633417,0.509590617,7.705037392,13.71407797,28.48880785,0.553720391,1.358713965,5.033876407,1.030406656,0.847324744,0.728322056,0.149083496,0.42916871,0.247366767,0.325323878,6.911607808,10.32535685,21.63198706,0.592483084,1.001859356,5.509334951,1.285376817,1.112649703,0.696734931,0.162554453,0.513198557,0.383741699,0.562795101,7.907361472,14.64170546,30.42837527,0.545102397,1.459735357,5.438561603,1.234521359,1.061890348,0.70311317,0.159602536,0.500166534,0.354139352,0.512676693,7.73497331,13.80010285,28.66462968,0.554669755,1.36698258 +UMLRON0212,L,1-Ethyl-3-Methylcyclopentane,CCC1CCC(C1)C,19502,,"Sandia, UML",[1],C8H16,PubChem,,57.6,0,0.6666,0.44435556,32.3582,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1128.97815,1029.163805,711.426747,324.009673,73.744272,6.096384,0,3399.790734,4147.41404,5230.324054,5399.686957,4426.029515,2598.935292,977.7717595,186.5024666,0,146.842108,144.889944,255.179544,322.739636,333.334956,247.87594,122.928192,40.310784,0,25.74688067,32.32302034,44.11934665,48.22798282,42.42184023,27.04645994,11.34768931,2.667677429,0,3476.407621,2904.481805,5640.598507,7452.51301,8033.980219,6185.575821,3169.542215,1109.505912,0,41.27777778,46,62.41666667,76.33333333,78.16666667,58,26,6,0,48.76541633,51.7541979,31.36050417,22.3731262,14.82139056,9.000268694,4.096904,1.016064,0,161.8947969,207.370702,145.2867793,117.3844991,92.20894824,72.192647,54.3206533,31.08374443,0,6.992481333,7.2444972,7.088320667,7.016079043,6.94447825,6.885442778,6.829344,6.718464,0,1.226041937,1.616151017,1.225537407,1.048434409,0.883788338,0.751290554,0.630427184,0.444612905,0,165.54322,145.2240902,156.6832919,162.0111524,167.3745879,171.8215506,176.0856786,184.917652,0,1.965608466,2.3,1.733796296,1.65942029,1.628472222,1.611111111,1.444444444,1,0,0.048701043,-0.009199337,-0.017610822,0.001816656,-7.77E-04,-0.008887812,0.002974695,0.007333598,0,564.9747087,-53.80711511,-121.066009,-147.9695666,-80.71067267,-4.44E-13,40.35533633,80.71067267,0,1050.594596,-100.0566282,-225.1274134,-275.1557275,-150.0849423,1.42E-13,75.04247115,150.0849423,0,0.110674667,-0.010540444,-0.023716,-0.028986222,-0.015810667,-1.01E-15,0.007905333,0.015810667,0,4.696646663,-0.447299682,-1.006424285,-1.230074126,-0.670949523,-4.14E-15,0.335474762,0.670949523,0,25.51225921,-2.429738973,-5.466912688,-6.681782175,-3.644608459,-7.77E-15,1.822304229,3.644608459,0,5.701058201,-1.249685059,-0.896258503,-0.191735954,0.474300831,-0.757369615,-0.775510204,0.545729403,0,0.002319097,-4.60E-04,-4.89E-04,3.95E-05,-1.62E-05,-2.47E-04,1.65E-04,0.001222266,0,26.90355756,-2.690355756,-3.362944694,-3.216729708,-1.681472347,-1.23E-14,2.24196313,13.45177878,0,50.0283141,-5.00283141,-6.253539262,-5.981646251,-3.126769631,3.95E-15,4.169026175,25.01415705,0,0.005270222,-5.27E-04,-6.59E-04,-6.30E-04,-3.29E-04,-2.82E-17,4.39E-04,0.002635111,0,0.223649841,-0.022364984,-0.02795623,-0.026740742,-0.013978115,-1.15E-16,0.018637487,0.111824921,0,1.214869486,-0.121486949,-0.151858686,-0.145256134,-0.075929343,-2.16E-16,0.101239124,0.607434743,0,0.271478962,-0.062484253,-0.02489607,-0.004168173,0.009881267,-0.021038045,-0.0430839,0.0909549,0,-0.198338739,-0.210939615,0.017029261,-0.006984569,-0.106456801,0.071260835,0.527044006,0,-0.1,-0.125,-0.119565217,-0.0625,-4.59E-16,0.083333333,0.5,0,-0.1,-0.125,-0.119565217,-0.0625,7.89E-17,0.083333333,0.5,0,-0.1,-0.125,-0.119565217,-0.0625,-5.34E-15,0.083333333,0.5,0,-0.1,-0.125,-0.119565217,-0.0625,-5.14E-16,0.083333333,0.5,0,-0.1,-0.125,-0.119565217,-0.0625,-1.78E-16,0.083333333,0.5,0,-0.230162413,-0.091705336,-0.015353576,0.036397912,-0.0774942,-0.158700696,0.335034803,0,1.493880561,1.134614324,0.827253336,0.89346431,1.093701366,0.991127461,0.187131557,0,1.5,1.25,1.118012422,0.9375,0.773809524,0.595238095,0,0,1.5,1.25,1.118012422,0.9375,0.773809524,0.595238095,0,0,1.5,1.25,1.118012422,0.9375,0.773809524,0.595238095,0,0,1.5,1.25,1.118012422,0.9375,0.773809524,0.595238095,0,0,1.5,1.25,1.118012422,0.9375,0.773809524,0.595238095,0,0,1.588399072,0.82424594,0.790174518,0.821200696,1.339907193,1.364269142,0,0,27.77145841,13.8857292,21.25186836,27.77145841,3.967351201,13.88573196,-3.55E-15,0.028464335,0.004066334,-2.491372353,25.18451546,3.597787923,2.258360538,27.77145841,13.8857292,21.25186836,27.77145841,3.967351201,13.88573196,-3.55E-15,0.028464335,0.004066334,-2.491372353,25.18451546,3.597787923,2.258360538,27.77145841,13.8857292,21.25186836,27.77145841,3.967351201,13.88573196,-3.55E-15,0.028464335,0.004066334,-2.491372353,25.18451546,3.597787923,2.258360538,27.77145841,13.8857292,21.25186836,27.77145841,3.967351201,13.88573196,-3.55E-15,0.028464335,0.004066334,-2.491372353,25.18451546,3.597787923,2.258360538,27.77145841,13.8857292,21.25186836,27.77145841,3.967351201,13.88573196,-3.55E-15,0.028464335,0.004066334,-2.491372353,25.18451546,3.597787923,2.258360538,27.77145841,13.8857292,21.25186836,27.77145841,3.967351201,13.88573196,-3.55E-15,0.028464335,0.004066334,-2.491372353,25.18451546,3.597787923,2.258360538,41.04362031,20.29165143,31.81843428,40.71482213,5.816403161,20.29165143,-0.46031746,0.090779919,0.01296856,-1.679522019,26.57223735,3.796033907,2.295906873,0,11.79,12.21004853,-0.30682145,0.113406162,5.204858732,8.040754737,6,20,19,19,5,1,1,0,0,1,15.304898,3.528447223,3.108626591,2.687175649,2.147976211,1.726311245,1.058745759,0.858937593,0.083923071,1.908813845,1.60339969,1.415539689,1.045724518,0.825692884,0.40049706,0.329091092,0.083923071,3.553418826,3.141392338,2.740513726,2.216211108,1.815025422,1.172977336,0.991456815,0.270913902,1.851840022,1.5307966,1.318506595,0.930560684,0.691939839,0.245272081,0.165682437,0.270913902,3.664384268,3.287275455,2.969183195,2.504826455,2.180322936,1.632381919,1.507026384,0.943918427,1.686764112,1.316633233,1.013401318,0.55975477,0.248045858,0.284531097,0.402096569,0.943918427,3.571877548,3.165647987,2.779549368,2.265966152,1.879155083,1.25496504,1.08537361,0.399277246,1.81577786,1.484459471,1.254971322,0.854478661,0.602593438,0.14053517,0.054778148,0.399277246,3.719112574,3.358966539,3.07610909,2.637125636,2.342519561,1.830316353,1.722579832,1.207644823,1.636088222,1.250098264,0.912318813,0.433745291,0.091850196,0.477144233,0.613740726,1.207644823,3.58775907,3.268775553,2.829845358,2.335180709,1.902612842,1.338264571,1.149448395,0.525,1.88641186,1.39239751,1.159663159,0.743928278,0.542928815,0.066126651,0.054569777,0.525,0,0,1,1,0,2,2,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.49279928,0.40824829,0.204124145,0.455341801,0.284517797,0.11785113,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.276020882,2.917450212,2.037797401,1.265959019,0.451184464,0.11785113,0,0,0.753717269,0.486241702,0.3396329,0.253191804,0.150394821,0.11785113,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,5,1,0,2,0,0,0,0,0,0,0,0,2,1,2,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.628935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.379652778,0.318472222,0,0,1.201875,0.290277778,0,0.698125,0,0,0,0,0,0,0,0,4.440324074,3.648611111,2.433055556,0,1.980324074,0,0.831018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.980324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.379652778,0.318472222,0,0,0.216944444,0.290277778,0,0.318472222,0,0,0,0,0,0,0,0,2.202546296,3.648611111,1.163194444,0,1.980324074,0,0.831018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.648611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.379652778,0.318472222,0,0,0.290277778,0.290277778,0,0.379652778,0,0,0,0,0,0,0,0,2.237777778,3.648611111,1.269861111,0,1.980324074,0,0.831018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.904761905,0.379652778,3.648611111,0.216944444,0.831018519,5.158884722,0.502314815,0.648611111,2.17787037,0.502314815,0.648611111,2.17787037,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.78895,0.82699,7.07892,1.28997,0.18428,2.74317,0.39188,3.30805,0.56488,0.0807,0.10595,0.01514,0.10595,0.01514,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.258572884,3.368042423,3.558518613,3.653756708,3.140202668,19.28421252,47.43003057,70.72889087,74.72889087,76.72889087,65.94425603,0.209068641,0.51420985,0.766803056,0.810168818,0.831851698,0.714930722,3.474021589,2.133744538,1.024275,0.83379881,0.738560714,1.252114755,0.209068641,0.51420985,0.766803056,0.810168818,0.831851698,0.714930722,6.73287657,17.32307969,19.48810467,18.63319754,19.77605468,13.6134062,27.64912502,16.73002464,14.23974061,14.91476064,13.54772211,12.40486497,7,4.166666667,3.84,7,2,6,2.23,1.0519,0.766309432,4.112265279,1.650963624,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.126,0.12,0.128,0.152,2.932,6,5,3,1,0,0,0,0,0,28,2.079441542,2.079441542,1.945910149,1.791759469,1.098612289,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,0,126.9918924,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,98.10955045,4.671883355,12.66537523,1.809339318,0,0,0,50,5,3.896,24,1.2236,2.129805771,2.902518131,3.544298745,4.373808044,5.65104626,7.169405074,0,0,0,73.7959167,75.34723427,73.27507592,63.54370969,49.14608778,26.28506333,7.284574397,0,0,0,278.2003652,333.6774204,363.485232,360.892372,354.5412125,330.6008761,222.851955,0,0,0,8.897867644,15.15092507,20.41173476,24.70111509,30.24725373,38.70570581,48.16738989,0,0,0,2.110244062,2.757551346,3.178945668,3.348385806,3.555775454,3.751549622,3.187610016,0,0,0,175.6104775,329.820158,466.8904803,586.7549227,741.4022604,986.0860409,1325.749553,0,0,0,2.878066667,3.816783501,4.947816698,6.055845636,7.537408873,8.600969685,7.169405074,0,0,0,0.43759575,0.581389068,0.677404975,0.721075184,0.775475357,0.833535366,0.73414708,0,0,0,364.2395247,162.7496606,11.62269422,158.3754087,-70.76536804,-10.88878038,205.864116,233.5150286,22.5114746,0.69695583,0.311414103,0.022239499,0.30304417,-0.135406326,-0.020835188,190.357015,85.05540306,6.074193567,82.76935371,-36.98303811,-5.690639234,0.126758807,0.229671542,1.996565093,5.966082597,522.6149335,0,1,0,393.1393776,19.82774263,7.32569526,529.3948196,23.00858143,8.089590956,621.4347367,24.92859275,8.53359135,1.935016442,1.821544269,459.47904,415.8861691,74.31854339,1.104819237,6.182562507,5.595994622,3.938405998,4.466158665,7.71775273,0.728051623,4.149594424,4.863373452,3.192991441,18.79427771,7.104149077,6.182163639,6.121920309,8.992474967,5.844307512,1.16881717,1.56691833,1.598253814,1.550431541,0.017449186,6.94E-04,5.32E-27,7.87E-72,2.25E-138,1.24E-226,0,0,0,0,0,0,0,0,0,0,0,0.348257413,4.863166983,0.204812515,6.219078719,0.934435009,0.318072378,0.571785442,0.303560948,1.755224025,0.041325625,0.100413901,0.085980945,0.074062434,1.23E-04,4.89E-06,3.75E-29,5.55E-74,1.58E-140,8.71E-229,0,0,0,0,0,0,0,0,0,0,0,1.124191339,4.863181259,0.70277316,7.674187449,1.355549124,1.151911285,1.489642669,1.277177056,2.2886485,0.170808298,0.319747541,0.309023168,0.276018499,0.001280673,5.09E-05,3.91E-28,5.78E-73,1.65E-139,9.07E-228,0,0,0,0,0,0,0,0,0,0,0,3.916879296,4.863350953,2.970438782,17.63113007,6.429896376,5.694698747,5.706069718,8.177540697,5.487406376,1.064181927,1.448834675,1.47537522,1.424884026,0.015546911,6.18E-04,4.74E-27,7.01E-72,2.00E-138,1.10E-226,0,0,0,0,0,0,0,0,0,0,0,1.656845653,4.863199333,1.077859793,9.003177783,1.893526338,1.832141457,2.183573784,2.183063569,2.744273449,0.289582841,0.494070184,0.487564408,0.444169621,0.002781791,1.11E-04,8.48E-28,1.26E-72,3.58E-139,1.97E-227,0,0,0,0,0,0,0,0,0,0,0,5.011233796,4.863467949,4.061987582,23.54745586,9.937310446,8.132894113,7.74800567,12.33114089,7.286754432,1.596668015,2.036267502,2.087619419,2.055204989,0.025447997,0.001011965,7.76E-27,1.15E-71,3.28E-138,1.80E-226,0,0,0,0,0,0,0,0,0,0,0,2.28124299,3.469318146,1.47668396,9.41706967,2.706833347,2.781747927,3.215664215,3.212326129,3.796462658,0.440800151,0.82006061,0.708069786,0.698334073,0.004809434,1.91E-04,1.47E-27,2.17E-72,6.19E-139,3.41E-227,0,0,0,0,0,0,0,0,0,0,0,4.774810019,1.141436469,0.51862535,0.742020997,0.177382937,0.455917258,0.457933847,0.449923879,6.434871838,8.518457691,17.77991148,0.613031496,1.363774983,4.116625897,0.602360566,0.15699604,0.844265929,0.123536244,0.338954204,0.125489663,0.03919685,4.875982503,3.220555296,8.485839799,0.766398893,0.503640717,4.377899768,0.815418447,0.301804532,0.796688258,0.148389487,0.383291355,0.231258189,0.149247902,5.495122747,5.137187204,11.70969788,0.695032387,0.763797447,4.758502051,1.128003196,0.509772882,0.743948583,0.176353056,0.452807781,0.44702503,0.434485954,6.39627813,8.368386271,17.50092414,0.615922874,1.334318766,4.494419345,0.910894259,0.365785433,0.778780492,0.157837225,0.403951906,0.289454132,0.221080496,5.771099037,6.071125758,13.3397287,0.668170737,0.914486534,4.82586996,1.183512014,0.546316459,0.736133611,0.180531796,0.465722592,0.492980771,0.499933205,6.555698432,8.994499355,18.67047063,0.604200417,1.458636568,4.798796213,1.126402042,0.509155836,0.745808537,0.175060624,0.460515584,0.445753951,0.433304218,6.434354091,8.422223124,17.60875486,0.618712806,1.339573753 +UMLRON0213,L,4-Methyl-1-Hexene,CCC(C)CC=C,19589,,"Sandia, UML",[1],C7H14,PubChem,,86.4,0,0.202,0.040804,31.7974,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1349.023542,927.403012,270.591552,24.385536,0,0,3885.475125,5223.921076,7758.63172,7616.018954,5765.150688,3165.077171,746.0098663,0,0,167.819552,174.20624,341.883496,470.237784,450.366736,330.469632,161.243136,0,0,29.42500648,40.12790896,63.51436973,69.27418059,55.66920373,34.72004754,10.67070972,0,0,3973.037281,3464.315612,7404.551417,10832.52895,10960.48149,8240.145211,4438.023649,0,0,36.55555556,44.52777778,75.08333333,97.66666667,89.33333333,62,24,0,0,48.76541633,56.15943233,37.32917321,20.13467973,14.26773865,5.637324,1.016064,0,0,161.8947969,217.6633782,161.6381608,113.6719247,88.69462596,65.93910774,31.08374443,0,0,6.992481333,7.258593333,7.122572833,7.018474388,6.928719015,6.884784,6.718464,0,0,1.226041937,1.671996207,1.323216036,1.033942994,0.856449288,0.723334324,0.444612905,0,0,165.54322,144.3464838,154.2614879,161.6795365,168.6227921,171.6696919,184.917652,0,0,1.523148148,1.855324074,1.564236111,1.457711443,1.374358974,1.291666667,1,0,0,0.032226476,-0.003076068,-0.004922712,-0.015075592,0.002105701,-0.009823727,0.014679159,0,0,645.6853813,6.47E-13,-80.71067267,-390.1015846,-13.45177878,-161.4213453,322.8426907,0,0,1200.679538,0,-150.0849423,-725.4105544,-25.01415705,-300.1698846,600.3397692,0,0,0.126485333,2.93E-15,-0.015810667,-0.076418222,-0.002635111,-0.031621333,0.063242667,0,0,5.367596186,1.22E-14,-0.670949523,-3.242922696,-0.111824921,-1.341899046,2.683798093,0,0,29.15686767,-1.14E-13,-3.644608459,-17.61560755,-0.607434743,-7.289216918,14.57843384,0,0,2.314814815,-0.861111111,0.231481481,-0.642746914,0.114969136,-0.907407407,0.907407407,0,0,0.00134277,-1.28E-04,-1.03E-04,-2.25E-04,3.24E-05,-2.05E-04,6.12E-04,0,0,26.90355756,2.69E-14,-1.681472347,-5.82241171,-0.206950443,-3.362944694,13.45177878,0,0,50.0283141,0,-3.126769631,-10.8270232,-0.384833185,-6.253539262,25.01415705,0,0,0.005270222,1.22E-16,-3.29E-04,-0.00114057,-4.05E-05,-6.59E-04,0.002635111,0,0,0.223649841,5.07E-16,-0.013978115,-0.048401831,-0.001720383,-0.02795623,0.111824921,0,0,1.214869486,-4.74E-15,-0.075929343,-0.262919516,-0.00934515,-0.151858686,0.607434743,0,0,0.096450617,-0.03587963,0.004822531,-0.009593238,0.001768756,-0.018904321,0.037808642,0,0,-0.095451567,-0.076376824,-0.167570662,0.024125808,-0.152417019,0.455499953,0,0,1.00E-15,-0.0625,-0.21641791,-0.007692308,-0.125,0.5,0,0,0,-0.0625,-0.21641791,-0.007692308,-0.125,0.5,0,0,2.32E-14,-0.0625,-0.21641791,-0.007692308,-0.125,0.5,0,0,2.26E-15,-0.0625,-0.21641791,-0.007692308,-0.125,0.5,0,0,-3.90E-15,-0.0625,-0.21641791,-0.007692308,-0.125,0.5,0,0,-0.372,0.05,-0.099462687,0.018338462,-0.196,0.392,0,0,1.533778602,1.175116688,1.166274363,0.883331288,0.98201531,0.00375257,0,0,1.4375,1.2578125,1.222947761,0.8625,0.8984375,0,0,0,1.4375,1.2578125,1.222947761,0.8625,0.8984375,0,0,0,1.4375,1.2578125,1.222947761,0.8625,0.8984375,0,0,0,1.4375,1.2578125,1.222947761,0.8625,0.8984375,0,0,0,1.4375,1.2578125,1.222947761,0.8625,0.8984375,0,0,0,1.8975,0.81075,1.083402985,0.989353846,1.1385,0,0,0,31.85380639,15.92690319,23.83756752,31.85380639,3.981725799,15.92690359,8.88E-15,0.066697328,0.008337166,-2.16607231,79.10525932,9.888157415,3.49662349,31.85380639,15.92690319,23.83756752,31.85380639,3.981725799,15.92690359,8.88E-15,0.066697328,0.008337166,-2.16607231,79.10525932,9.888157415,3.49662349,31.85380639,15.92690319,23.83756752,31.85380639,3.981725799,15.92690359,8.88E-15,0.066697328,0.008337166,-2.16607231,79.10525932,9.888157415,3.49662349,31.85380639,15.92690319,23.83756752,31.85380639,3.981725799,15.92690359,8.88E-15,0.066697328,0.008337166,-2.16607231,79.10525932,9.888157415,3.49662349,31.85380639,15.92690319,23.83756752,31.85380639,3.981725799,15.92690359,8.88E-15,0.066697328,0.008337166,-2.16607231,79.10525932,9.888157415,3.49662349,31.85380639,15.92690319,23.83756752,31.85380639,3.981725799,15.92690359,8.88E-15,0.066697328,0.008337166,-2.16607231,79.10525932,9.888157415,3.49662349,37.76267142,18.79105793,28.79945179,37.62725476,4.703406844,18.79105795,-0.180555556,0.054655292,0.006831911,-2.325367395,147.6062803,18.45078504,3.995638769,0,11.9,12.10012615,-0.15115338,0.048993119,6.02075,8.706005388,8,24,24,24,8,0,0,0,0,0,17.491312,3.675337031,3.162880705,2.459820995,2.333997497,2.333552793,1.335478412,1.19006016,0.798700894,1.891107712,1.724171079,1.497529069,1.249629723,0.757863935,0.703645119,0.508418841,0.286078446,3.698215037,3.198369785,2.510897621,2.405454588,2.386142915,1.435893727,1.30885592,0.932819665,1.835178193,1.655976007,1.414147725,1.134540686,0.62194973,0.57099125,0.355986113,0.12056834,3.799174666,3.354715944,2.734801489,2.704236987,2.615367568,1.845749736,1.778468089,1.455002604,1.674403251,1.452583651,1.159741793,0.76031856,0.172849073,0.138250509,0.166208895,0.455768274,3.715085026,3.224551543,2.548571849,2.457539916,2.42465188,1.508311693,1.39352899,1.027913344,1.799889715,1.612285733,1.360189956,1.058262671,0.531260614,0.482883961,0.253006478,0.008157148,3.848632591,3.430602176,2.841861735,2.838982085,2.725129198,2.025396568,1.978039144,1.673301526,1.62545086,1.38842831,1.078079918,0.631337262,0.016182923,0.010395142,0.357026849,0.671270843,3.701067363,3.319961147,2.70797144,2.587788018,2.469200804,1.620992982,1.537363943,1.176907675,1.778322252,1.576450563,1.242567517,0.813234598,0.390806661,0.353544604,0.085717294,0.172021696,0,0,0,0,0,2,4,2,0,0,0,0.144337567,0.083333333,0.166666667,0,0,0.144337567,0.083333333,0.166666667,0.5,0,0.166666667,0,0.5,0,0.166666667,0,1.040440115,1.054737854,0.804737854,1.040440115,1.054737854,0.804737854,5.983127663,3.804530453,3.288553642,2.342638956,1.624056764,0.638071187,0.333333333,0,0.747890958,0.475566307,0.328855364,0.212967178,0.147641524,0.106345198,0.083333333,0,5.983127663,3.804530453,3.288553642,2.342638956,1.624056764,0.638071187,0.333333333,0,0.747890958,0.475566307,0.328855364,0.212967178,0.147641524,0.106345198,0.083333333,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,27.01237767,39.55975057,54.02475533,6.753094417,27.01237767,0.19230235,0.024037794,-1.318949124,26.83664572,3.354580715,2.631814665,51,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.686481481,0,5.973240741,0,0,0,2.006944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.343240741,0,1.488935185,0,0,0,0.94212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.343240741,0,1.497685185,0,0,0,1.064814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.343240741,0.2,0.94212963,5.756613426,0.391203704,0.343240741,1.372962963,0.391203704,0.343240741,1.372962963,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.37044,1.0463,8.37044,0,0,3.80452,0.47556,3.80452,0,0,0.10948,0.01369,0.19548,0.02444,0.208333333,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.605388542,2.90726823,2.599483982,2.553508855,22.03910002,34.03910002,62.52932501,69.77443751,62.38761556,61.28421252,0.200284263,0.309336409,0.568246423,0.634087679,0.566958613,0.556931241,3.666666667,3.166666667,1.979573959,1.677694271,1.985478519,2.031453646,0.200284263,0.309336409,0.568246423,0.634087679,0.566958613,0.556931241,6.73287657,12.73287657,16.67730206,15.7197854,13.92330755,15.36325785,31.59900002,23.74937501,20.87142917,21.8948625,24.77671392,22.73934896,6.125,2.52,1.487603306,3,0,3,2.34,1.1272,0.5,2.309401077,2.828427125,0,4.242640687,4.298279727,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,11,11,6,4,0,0,0,0,58,2.197224577,2.397895273,2.48490665,2.48490665,1.945910149,1.609437912,0,0,0,0,4.077537444,1,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,3,0.375,0,2,4,1,1.5,0.888888889,0.277777778,0.25,0,0,0,0,0,0,0.1875,0.088888889,0.046296296,0.0625,0,0,0,0,0,0,0.385185185,15.92690319,23.83756752,31.85380639,3.981725799,15.92690359,0.066697328,0.008337166,-2.16607231,79.10525932,9.888157415,3.49662349,0,134.567877,4,3.610917913,4.369447852,5.164785974,5.948034989,6.744059186,7.533158807,8.328692584,9.119430497,9.91457585,76.73310365,2.833213344,0,4.043051268,2.397895273,5.424950017,4.442651256,6.884486652,6.293419279,8.384118837,8.747193184,112.1252005,4.671883355,15.42009782,1.927512228,0,0,0,62,6,4.43,36,1.331436567,2.361300217,3.186085401,3.878143369,4.785043997,5.957971459,0,0,0,0,94.01800751,99.7734683,72.53775876,67.37613952,30.46453868,6.053680313,0,0,0,0,334.770918,415.3042056,385.5592064,381.3377766,341.8421884,185.1960622,0,0,0,0,9.725938808,16.89642634,22.4121988,26.9672242,33.06958913,40.02841676,0,0,0,0,2.47012952,3.33102485,3.435276901,3.558545845,3.671660077,2.648990997,0,0,0,0,188.3541604,358.6313618,511.5094444,646.8158926,811.4429726,1101.734093,0,0,0,0,2.547841022,3.804505852,4.717439972,5.513641373,6.410141855,5.957971459,0,0,0,0,0.509638069,0.698412789,0.73391064,0.76743503,0.807625684,0.610096277,0,0,0,0,317.8274675,130.612886,8.102890631,56.32453476,-23.14686674,-3.106911158,261.5029327,153.7597527,11.20980179,0.849460822,0.349090437,0.021656681,0.150539178,-0.061864875,-0.008303874,118.9157833,48.8690728,3.031712754,21.07393746,-8.660446536,-1.162457031,0.073275761,0.15163766,0.86237728,1.282807176,374.1520022,0,1,0,402.4237007,20.06050101,7.38291469,557.416278,23.60966493,8.229874559,686.1029646,26.19356724,8.819888577,1.253665701,1.115466794,548.7072723,459.5138786,154.4392972,1.194103808,3.55289931,2.97536888,4.358474168,4.414624753,7.584801505,0.718107864,4.462408855,4.441984107,3.617218777,14.61319239,11.20637269,10.87799145,10.84929244,13.53577944,4.313157539,4.386722696,2.632696849,3.033357828,1.9163486,1.402658063,3.26E-08,4.21E-37,1.05E-87,5.03E-160,4.66E-254,0,0,0,0,0,0,0,0,0,0,0,0.374499053,4.441102845,0.772239604,6.429784818,1.068708374,2.189071334,0.475394432,0.72274487,0.537945982,0.08481058,0.802748592,0.101350427,0.035517064,0.009879035,2.30E-10,2.96E-39,7.38E-90,3.54E-162,3.28E-256,0,0,0,0,0,0,0,0,0,0,0,1.208928595,4.441162362,1.122162786,7.902724853,2.015646867,3.182226299,1.73623702,2.330601266,0.908184421,0.460477389,1.075215636,0.428131422,0.197222949,0.102947166,2.39E-09,3.09E-38,7.69E-89,3.69E-161,3.42E-255,0,0,0,0,0,0,0,0,0,0,0,4.212149946,4.441887575,3.361402603,14.04235244,10.18869308,10.06996857,9.911140888,12.39493431,3.940406723,3.945614262,2.484915488,2.757742482,1.722594221,1.249743081,2.90E-08,3.75E-37,9.33E-88,4.48E-160,4.15E-254,0,0,0,0,0,0,0,0,0,0,0,1.781738316,4.441238959,1.430902701,8.972484322,2.998946804,4.095724504,2.856135268,3.733508843,1.281217483,0.867547247,1.292263835,0.733130938,0.374208291,0.223615001,5.20E-09,6.71E-38,1.67E-88,8.02E-161,7.42E-255,0,0,0,0,0,0,0,0,0,0,0,5.389004952,4.442389871,4.657096767,16.80607387,15.42521298,14.18321983,14.66695743,18.16452669,5.854102018,6.221768703,3.220459831,4.162974388,2.72299099,2.045644961,4.75E-08,6.14E-37,1.53E-87,7.33E-160,6.79E-254,0,0,0,0,0,0,0,0,0,0,0,2.966698408,4.034126591,1.96864418,11.22050744,5.429278362,6.257835793,5.14921049,6.820048614,2.230859631,1.973687608,2.001986709,1.423884712,0.878665501,0.559509033,1.30E-08,1.68E-37,4.18E-88,2.01E-160,1.86E-254,0,0,0,0,0,0,0,0,0,0,0,4.59884489,1.695453275,0.770387031,0.650962465,0.239989926,0.5202551,0.560493194,0.404492346,7.064685196,12.6461723,25.71766273,0.476443698,1.485240639,3.817299515,1.08640775,0.290871246,0.734862224,0.209142618,0.358160457,0.227795295,0.057634249,5.194578511,5.573491218,11.97435461,0.602293335,0.64359,4.127583741,1.328305027,0.481435416,0.695192584,0.223721156,0.418866064,0.341997603,0.157985635,5.937324185,8.109348313,16.68623375,0.542788876,0.918849302,4.579484413,1.680375597,0.758526613,0.652498168,0.239424769,0.515871108,0.550442205,0.392143211,7.018386623,12.44352427,25.29896573,0.478747252,1.458456524,4.265942863,1.436127352,0.566326287,0.680547707,0.229106016,0.447482732,0.400497991,0.218630127,6.268396502,9.355669481,19.09362843,0.52082156,1.066610849,4.65946089,1.74265719,0.807515585,0.646282614,0.241712308,0.534102343,0.59255904,0.444382184,7.209633665,13.28965315,27.0561866,0.469423921,1.571043566,4.590998668,1.685688894,0.760508454,0.652390335,0.239539852,0.518481772,0.554173623,0.394230177,7.037196017,12.51246943,25.43523692,0.478585503,1.466885573 +UMLRON0214,L,Isopropylcyclopentane,CC(C)C1CCCC1,19751,,"Sandia, UML",[1],C8H16,PubChem,,81.1,0,-0.072,0.005184,30.5706,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1128.97815,1139.13879,763.833675,220.131072,21.337344,0,0,3399.790734,4147.41404,5230.324054,5541.161498,4751.042642,2643.963217,652.758633,0,0,146.842108,144.889944,255.179544,322.364184,315.175404,288.562176,141.087744,0,0,25.74688067,32.32302034,44.11934665,48.5654757,44.43265854,29.37664449,9.336871002,0,0,3476.407621,2904.481805,5640.598507,7489.775027,7320.251741,7257.819716,3883.270693,0,0,41.27777778,46,62.25,76.66666667,83,64,21,0,0,48.76541633,51.7541979,31.36050417,24.76388674,16.97408167,5.241216,1.016064,0,0,161.8947969,207.370702,145.2867793,120.4600326,105.5787254,62.95150517,31.08374443,0,0,6.992481333,7.2444972,7.088320667,7.007917043,7.003897867,6.870528,6.718464,0,0,1.226041937,1.616151017,1.225537407,1.055771211,0.987392412,0.699443916,0.444612905,0,0,165.54322,145.2240902,156.6832919,162.8211962,162.6722609,172.8052313,184.917652,0,0,1.965608466,2.3,1.729166667,1.666666667,1.844444444,1.523809524,1,0,0,0.048218982,-0.011098854,-0.015159625,0.012926323,-0.020047385,-0.010164244,0.019434295,0,0,564.9747087,-53.80711511,-121.066009,13.45177878,-322.8426907,-80.71067267,282.4873543,0,0,1050.594596,-100.0566282,-225.1274134,25.01415705,-600.3397692,-150.0849423,525.297298,0,0,0.110674667,-0.010540444,-0.023716,0.002635111,-0.063242667,-0.015810667,0.055337333,0,0,4.696646663,-0.447299682,-1.006424285,0.111824921,-2.683798093,-0.670949523,2.348323331,0,0,25.51225921,-2.429738973,-5.466912688,0.607434743,-14.57843384,-3.644608459,12.75612961,0,0,5.701058201,-1.249685059,-1.279856387,1.443184681,-0.859410431,-2.814814815,1.91005291,0,0,0.002296142,-5.55E-04,-4.21E-04,2.81E-04,-4.45E-04,-2.42E-04,9.25E-04,0,0,26.90355756,-2.690355756,-3.362944694,0.292429973,-7.174282015,-1.921682683,13.45177878,0,0,50.0283141,-5.00283141,-6.253539262,0.543786023,-13.34088376,-3.573451007,25.01415705,0,0,0.005270222,-5.27E-04,-6.59E-04,5.73E-05,-0.001405393,-3.76E-04,0.002635111,0,0,0.223649841,-0.022364984,-0.02795623,0.002430977,-0.059639958,-0.015974989,0.111824921,0,0,1.214869486,-0.121486949,-0.151858686,0.013205103,-0.323965196,-0.086776392,0.607434743,0,0,0.271478962,-0.062484253,-0.035551566,0.03137358,-0.01909801,-0.0670194,0.0909549,0,0,-0.241684843,-0.183394886,0.122382251,-0.194019991,-0.105396707,0.403042406,0,0,-0.1,-0.125,0.010869565,-0.266666667,-0.071428571,0.5,0,0,-0.1,-0.125,0.010869565,-0.266666667,-0.071428571,0.5,0,0,-0.1,-0.125,0.010869565,-0.266666667,-0.071428571,0.5,0,0,-0.1,-0.125,0.010869565,-0.266666667,-0.071428571,0.5,0,0,-0.1,-0.125,0.010869565,-0.266666667,-0.071428571,0.5,0,0,-0.230162413,-0.130955143,0.115565419,-0.070348028,-0.246867749,0.335034803,0,0,1.539690693,1.086925528,0.766555351,1.316786168,1.030762086,0.107996945,0,0,1.5,1.25,0.97826087,1.238095238,0.816326531,0,0,0,1.5,1.25,0.97826087,1.238095238,0.816326531,0,0,0,1.5,1.25,0.97826087,1.238095238,0.816326531,0,0,0,1.5,1.25,0.97826087,1.238095238,0.816326531,0,0,0,1.5,1.25,0.97826087,1.238095238,0.816326531,0,0,0,1.588399072,0.863495746,0.663068698,1.266821346,1.419953596,0,0,0,26.72904351,13.36452175,18.60058973,26.72904351,3.818434787,13.36452637,-1.78E-15,2.18E-16,3.12E-17,-25.24248141,4000004.229,571429.1756,10.64126418,26.72904351,13.36452175,18.60058973,26.72904351,3.818434787,13.36452637,-1.78E-15,2.18E-16,3.12E-17,-25.24248141,4000004.229,571429.1756,10.64126418,26.72904351,13.36452175,18.60058973,26.72904351,3.818434787,13.36452637,-1.78E-15,2.18E-16,3.12E-17,-25.24248141,4000004.229,571429.1756,10.64126418,26.72904351,13.36452175,18.60058973,26.72904351,3.818434787,13.36452637,-1.78E-15,2.18E-16,3.12E-17,-25.24248141,4000004.229,571429.1756,10.64126418,26.72904351,13.36452175,18.60058973,26.72904351,3.818434787,13.36452637,-1.78E-15,2.18E-16,3.12E-17,-25.24248141,4000004.229,571429.1756,10.64126418,26.72904351,13.36452175,18.60058973,26.72904351,3.818434787,13.36452637,-1.78E-15,2.18E-16,3.12E-17,-25.24248141,4000004.229,571429.1756,10.64126418,39.54460963,19.54214609,28.26792781,39.21581145,5.602258778,19.54214609,-0.46031746,2.18E-16,3.11E-17,-25.24463035,4000004.081,571429.1545,10.64126416,0,11.79,12.21004853,-0.305320986,0.114986176,5.445264183,8.439503344,6,20,19,19,5,1,1,0,0,1,15.304898,3.547390093,2.931120213,2.902564078,2.115165832,1.598026915,1.249634233,0.776467168,0.083923071,1.910006003,1.563026335,1.482274247,1.01872418,0.769718516,0.510587384,0.278570373,0.083923071,3.570751568,2.968691529,2.950308951,2.183239102,1.695309721,1.354859407,0.912490652,0.270913902,1.854797385,1.473453684,1.403779896,0.902237509,0.630337185,0.362244304,0.112403654,0.270913902,3.675321283,3.155598408,3.13435829,2.472637863,2.090117344,1.782273267,1.440651031,0.943918427,1.696563769,1.195492746,1.167333459,0.527926675,0.162386152,0.139710414,0.466463889,0.943918427,3.588059819,2.996427847,2.985267979,2.232970764,1.765276817,1.430635623,1.008838696,0.399277246,1.820004405,1.415133181,1.353243956,0.825324249,0.536857124,0.262451278,4.77E-04,0.399277246,3.727358623,3.252217518,3.214649707,2.60589124,2.26277616,1.968464033,1.660859844,1.207644823,1.648536776,1.104407163,1.092416112,0.401176885,0.004703131,0.320243509,0.682886931,1.207644823,3.605199068,3.156287251,2.988108839,2.279982127,1.779661437,1.528040687,1.080322791,0.525,1.884261535,1.393019689,1.175148491,0.737757397,0.487250586,0.167021548,0.101857046,0.525,0,0,1,1,0,2,2,1,0,0,0,0,0,0,0,0,0,0,0,0.204124145,0,0,0,0.166666667,0,0,0,0.612372436,0.612372436,0,0.451184464,0.402368927,0,5.698670613,3.346065215,2.090770275,1.732050808,0.866025404,0,0,0,0.814095802,0.557677536,0.348461713,0.288675135,0.288675135,0,0,0,5.276020882,2.972291767,1.812278497,1.382088123,0.622008468,0,0,0,0.753717269,0.495381961,0.302046416,0.230348021,0.207336156,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,36,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,5,1,0,2,0,0,0,0,0,0,0,0,2,1,2,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.730462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.370972222,0.300694444,0,0,1.228333333,0.290277778,0,0.671666667,0,0,0,0,0,0,0,0,4.380648148,3.702685185,2.472222222,0,2.027777778,0,0.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.027777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.370972222,0.300694444,0,0,0.225625,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.190324074,3.702685185,1.236111111,0,2.027777778,0,0.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.702685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.370972222,0.300694444,0,0,0.290277778,0.290277778,0,0.370972222,0,0,0,0,0,0,0,0,2.190324074,3.702685185,1.236111111,0,2.027777778,0,0.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.904761905,0.370972222,3.702685185,0.225625,0.75,5.148032778,0.583333333,0.702685185,2.222222222,0.583333333,0.702685185,2.222222222,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.77119,0.82446,7.12629,1.3551,0.19359,2.80805,0.40115,3.34606,0.53801,0.07686,0.06794,0.00971,0.06794,0.00971,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.163334789,2.987090042,2.987090042,2.777932069,2.036538274,19.28421252,45.43003057,62.72889087,62.72889087,58.33657345,42.76730376,0.209068641,0.492526969,0.680071533,0.680071533,0.632452485,0.463659175,3.474021589,2.228982634,1.405227381,1.405227381,1.614385354,2.355779148,0.209068641,0.492526969,0.680071533,0.680071533,0.632452485,0.463659175,6.73287657,16.18022255,17.01042371,17.01042371,14.50052804,7.902903534,27.64912502,18.09706317,17.5042243,17.5042243,16.24927647,10.90823646,7,4.166666667,2.666666667,7,2,5,2.23,1.0519,0.75,4.326748711,1.5,0,1.5,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.126,0.12,0.128,0.152,2.932,6,6,3,0,0,0,0,0,0,28,2.079441542,2.079441542,2.197224577,1.791759469,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,2,4,1,1.5,0.666666667,0.375,0,0,0,0,0,0,0,0.25,0.111111111,0.0625,0,0,0,0,0,0,0,0.423611111,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,0,126.9918924,3.807354922,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,66.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921535632,98.10955045,4.671883355,12.6691974,1.809885343,0,0,0,48,6,3.892,24,1.2236,2.129848229,2.894531609,3.578758676,4.229489673,4.771341247,0,0,0,0,73.7959167,75.2699829,79.26101336,65.18208888,22.68345899,4.847988073,0,0,0,0,278.2003652,333.5005957,370.8818543,394.4828883,270.1430327,148.3111519,0,0,0,0,8.897867644,15.15097843,20.33719819,25.11899554,29.0773906,32.0560844,0,0,0,0,2.110244062,2.756612791,3.193185255,3.647316347,2.989399595,2.121399892,0,0,0,0,175.6104775,329.8421515,467.4783828,578.064354,729.3993044,882.3052204,0,0,0,0,2.8785,3.801378227,4.965112392,6.699348515,6.416296247,4.771341247,0,0,0,0,0.43759575,0.581209488,0.679038788,0.783599443,0.661204676,0.488585344,0,0,0,0,343.4226773,152.0697133,10.33099164,166.7721987,-73.84777452,-10.29143214,176.6504786,225.9174878,20.62242378,0.673120593,0.298062016,0.020249109,0.326879407,-0.14474425,-0.020171571,175.2124903,77.58518852,5.270818997,85.08632123,-37.67675616,-5.250635946,0.128514142,0.231179423,3.280817455,4.347628099,510.194876,0,1,0,393.1393776,19.82774263,7.32569526,529.3948196,23.00858143,8.089590956,652.6598066,25.54720741,8.674190504,1.753336879,1.753336879,359.1755883,279.4534547,120.5561452,1.285278755,2.979322105,2.318035752,3.83470415,3.477616438,6.42424645,0.847313114,4.149594424,4.989941348,5.726601227,14.87635443,6.700515067,6.753964152,4.104710265,11.76738658,3.507818406,4.650545104,0.432299747,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348257413,4.864058411,0.276173894,6.054959862,0.831402585,1.331896054,0.496813641,0.454522192,0.958794784,0.069827714,0.003045791,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.124191339,4.872470626,1.026221199,7.14842574,1.242327106,2.21650612,1.168371198,1.818470789,1.138531705,0.436572805,0.0317311,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.916879296,4.97612067,5.264689086,14.08614207,6.062767089,6.343439849,3.860881111,10.74042362,3.23128551,4.169079295,0.385172027,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.656845653,4.883377081,1.648739244,8.109028847,1.758116171,2.88972402,1.648641907,3.035442501,1.363038683,0.857065013,0.068921561,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.011233796,5.048055332,7.582461871,18.08620765,9.377962295,8.363182977,5.033565037,15.94945141,4.668495213,6.661459351,0.630465068,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.28124299,3.4995522,2.37625634,8.296183758,2.52336245,3.86347984,2.126110298,4.257062243,1.769633586,1.414733312,0.119156448,0.310549595,2.21E-15,3.04E-51,8.05E-109,4.12E-188,4.06E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.594428345,1.483516543,0.576582255,0.635672666,0.262359081,0.528549318,0.368726342,0.405970873,5.654527144,8.260246829,16.98933768,0.453508999,1.303246533,2.64020713,1.023769197,0.20804171,0.6818685,0.26440197,0.287195656,0.179204036,0.053249872,3.872018037,3.465222635,7.899569661,0.52280275,0.519649565,3.018537462,1.206866166,0.354569168,0.65907323,0.263509462,0.373999745,0.246797082,0.154260316,4.579972796,5.141168582,11.01282648,0.488609844,0.775057143,3.570747054,1.472178132,0.567472054,0.636451734,0.262401764,0.521659675,0.36326197,0.393323198,5.61039724,8.118494842,16.7119654,0.454677602,1.278244843,3.187482493,1.288244387,0.419810491,0.651099614,0.263146676,0.416531105,0.280193502,0.215958714,4.895537371,5.98521353,12.60460043,0.476649421,0.912683321,3.668582515,1.519003286,0.605100288,0.633312846,0.262227792,0.550419885,0.386086358,0.446838142,5.792686088,8.711598554,17.87625978,0.44996927,1.383344386,3.57329554,1.480807413,0.566801329,0.635715422,0.263446474,0.522683085,0.368113921,0.391866986,5.620904281,8.156034792,16.77609038,0.453573134,1.282663992 +UMLRON0215,L,3-Ethyl-1-Pentene,CCC(CC)C=C,19951,,"Sandia, UML",[1],C7H14,PubChem,,95.6,0,0.9262,0.85784644,29.3132,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,803.11258,630.655707,447.02213,264.404617,81.787104,9.144576,0,2914.106344,3494.423905,4007.996657,3488.939862,2627.961878,1798.067638,968.1733981,279.7536999,0,125.864664,123.114164,212.027152,236.881452,187.832648,145.502308,103.171968,60.466176,0,22.06875486,27.30703172,34.75630082,32.18367113,24.72029948,17.70154074,10.682782,4.001516144,0,2979.777961,2471.442353,4742.724499,5635.903716,4494.988761,3538.991458,2582.994154,1664.258868,0,32.5,38.25,53,53.5,42,31.5,21,9,0,48.76541633,50.97680359,26.77041933,18.54869726,16.55637519,12.59069605,5.4524736,1.016064,0,161.8947969,205.5543474,133.5998886,102.6158783,97.33192139,85.62226847,64.54489321,31.08374443,0,6.992481333,7.242009647,7.067571733,6.967101529,6.956764741,6.928681333,6.8781312,6.718464,0,1.226041937,1.606295984,1.158543361,0.946578563,0.915566648,0.842930512,0.712185467,0.444612905,0,165.54322,145.3789619,158.0908166,165.761874,166.4810652,168.5234028,172.1996103,184.917652,0,1.805555556,2.25,1.766666667,1.573529412,1.555555556,1.5,1.4,1,0,0.040002738,-0.00278122,-0.020139622,-0.001100626,4.31E-04,-0.00173934,-2.93E-04,0.00562097,0,484.264036,-53.80711511,-161.4213453,-26.90355756,-40.35533633,-40.35533633,-40.35533633,121.066009,0,900.5096538,-100.0566282,-300.1698846,-50.0283141,-75.04247115,-75.04247115,-75.04247115,225.1274134,0,0.094864,-0.010540444,-0.031621333,-0.005270222,-0.007905333,-0.007905333,-0.007905333,0.023716,0,4.025697139,-0.447299682,-1.341899046,-0.223649841,-0.335474762,-0.335474762,-0.335474762,1.006424285,0,21.86765075,-2.429738973,-7.289216918,-1.214869486,-1.822304229,-1.822304229,-1.822304229,5.466912688,0,3.111111111,-0.438271605,-0.87962963,-0.237654321,-0.166666667,-0.018518519,-0.509259259,0.694444444,0,0.002222374,-1.64E-04,-6.71E-04,-3.24E-05,1.60E-05,-8.28E-05,-1.95E-05,6.25E-04,0,26.90355756,-3.165124418,-5.380711511,-0.791281105,-1.494642086,-1.921682683,-2.690355756,13.45177878,0,50.0283141,-5.885684011,-10.00566282,-1.471421003,-2.779350783,-3.573451007,-5.00283141,25.01415705,0,0.005270222,-6.20E-04,-0.001054044,-1.55E-04,-2.93E-04,-3.76E-04,-5.27E-04,0.002635111,0,0.223649841,-0.026311746,-0.044729968,-0.006577937,-0.012424991,-0.015974989,-0.022364984,0.111824921,0,1.214869486,-0.142925822,-0.242973897,-0.035731455,-0.067492749,-0.086776392,-0.121486949,0.607434743,0,0.172839506,-0.025780683,-0.029320988,-0.006989833,-0.00617284,-8.82E-04,-0.033950617,0.077160494,0,-0.073615485,-0.302073659,-0.014566106,0.007186887,-0.037269021,-0.008782605,0.281029244,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.149159664,-0.169642857,-0.040441176,-0.035714286,-0.005102041,-0.196428571,0.446428571,0,1.360986915,1.377599631,1.010757438,0.960329614,0.903051764,0.61620132,0.003719356,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.526785714,1.161160714,0.944196429,0.936011905,0.878188776,1.092857143,0,0,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,24.51389036,12.20138963,20.14622415,24.43981629,4.073302715,12.20140297,-0.111111111,0.186385835,0.031064306,-1.007961824,40.95256977,6.825428295,2.227448737,0,11.89,12.11007471,-0.181125823,0.043355217,5.090583876,6.867637229,5,17,16,16,4,1,1,0,0,1,13.118484,3.481399334,3.049930099,2.428688263,1.891521341,1.331311296,0.765847009,0.083923071,0.083923071,1.863783038,1.611524163,1.239148958,0.863568446,0.602169637,0.264964675,0.083923071,0.083923071,3.505841441,3.088836534,2.489259763,1.967536665,1.439322469,0.900454728,0.270913902,0.270913902,1.805414244,1.532245906,1.133409581,0.741875589,0.454381641,0.09844123,0.270913902,0.270913902,3.615755954,3.258909237,2.747078453,2.284983883,1.873215159,1.426223898,0.943918427,0.943918427,1.638161172,1.292529721,0.79650392,0.344649558,0.048210994,0.480977355,0.943918427,0.943918427,3.523980836,3.11746945,2.533503899,2.022738466,1.516763663,0.996044729,0.399277246,0.399277246,1.768615858,1.481153979,1.063829824,0.661089052,0.354796896,0.014648039,0.399277246,0.399277246,3.670672848,3.340669691,2.86633473,2.428306665,2.060498847,1.646329442,1.207644823,1.207644823,1.587536355,1.216048922,0.683298907,0.207422135,0.230283037,0.697079997,1.207644823,1.207644823,3.551518429,3.152426137,2.604035092,2.094515748,1.568267128,1.124870062,0.545454545,0.545454545,1.76090306,1.401965688,0.980750265,0.562223677,0.269870672,0.152808039,0.545454545,0.545454545,0,0,0,2,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.568914101,2.526038674,1.357710728,0.691044062,0.333333333,0.166666667,0,0,0.761485683,0.505207735,0.339427682,0.230348021,0.166666667,0.166666667,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,2,0,2,0,0,0,0,0,0,0,0,2,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.650416667,0,0,0.759305556,0.580555556,0,0.650416667,0,0,0,0,0,0,0,0,4.231805556,0,2.500833333,0,4.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.225625,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.05125,0,1.232638889,0,2.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.334097222,0,0,0.290277778,0.290277778,0,0.334097222,0,0,0,0,0,0,0,0,2.180555556,0,1.268194444,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.334097222,2.180555556,0.225625,1.232638889,4.228402778,0.267361111,0.180555556,0.998333333,0.267361111,0.180555556,0.998333333,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.33333,0,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.28976,0.71496,5.31294,1.02318,0.17053,2.31066,0.38511,2.91421,0.60355,0.10059,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.102187171,3.308270835,3.419381946,3.419381946,2.775772918,16.52932501,37.83936908,59.54887502,61.54887502,61.54887502,49.96391252,0.220218789,0.504130691,0.793364589,0.820010419,0.820010419,0.66566495,3.251629167,2.06773783,0.861654167,0.750543056,0.750543056,1.394152084,0.220218789,0.504130691,0.793364589,0.820010419,0.820010419,0.66566495,6.73287657,16.17613249,18.61300657,18.72498713,18.72498713,12.98339237,23.69925001,15.20198837,13.03809584,12.79699306,12.79699306,10.42172153,6,5,5.333333333,6,2,6,2.12,0.911,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,2.708,4,3,2,1,0,0,0,0,0,21,1.945910149,1.945910149,1.791759469,1.609437912,1.098612289,0,0,0,0,0,3.401197382,1.380952381,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,109.6959078,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,84.09390038,4.671883355,10.83915043,1.806525072,0,0,0,35,3,3.343,18,1.206395782,2.097553763,2.898257973,3.689405455,5.016540125,5.995890107,7.182270611,0,0,0,71.97748763,64.20364479,65.33105778,77.59605585,73.51480026,36.07269026,7.297646606,0,0,0,272.4643847,304.0451546,327.7836943,417.4135257,464.6140044,412.499322,223.2518641,0,0,0,8.770262142,14.88187247,20.25051477,25.84346758,34.85977191,41.36217491,48.25382654,0,0,0,2.070674696,2.577931061,2.920677265,3.76781038,4.459550444,4.474058815,3.1933302,0,0,0,173.2968935,327.4376415,476.4046369,600.814316,837.7583137,1022.799613,1328.128618,0,0,0,2.817117478,3.849517494,4.731401927,6.177891918,7.810654027,8.699020329,7.182270611,0,0,0,0.429537557,0.54586211,0.62501409,0.807239272,0.965561438,0.985929865,0.735464511,0,0,0,311.4784396,117.9067907,9.21114256,105.2271878,-39.83261257,-6.736835299,206.2512518,157.7394033,15.94797786,0.747478362,0.28294984,0.022104675,0.252521638,-0.095589332,-0.016166893,129.7948186,49.13242321,3.83833494,43.84876131,-16.59847381,-2.80727718,0.150280215,0.240483033,2.250690678,2.162979989,416.7056274,0,1,0,332.8277466,18.24356727,6.930105427,453.1341052,21.28694683,7.680843511,469.5352153,21.66876128,7.77241635,2.272147522,2.272147522,438.4402201,421.8856898,29.22307159,1.039239374,15.00322164,14.43673327,3.621397168,4.500066863,7.773558401,0.727431756,4.957136514,3.968148321,2.315921924,14.84898268,5.77585634,2.571950076,2.916525629,6.167776386,5.619225274,0.840525564,0.870175036,1.679843907,4.008535319,0.005193109,0.011855284,2.41E-23,9.44E-66,7.13E-130,1.04E-215,3.0E-323,0,0,0,0,0,0,0,0,0,0,0.41602589,3.963401242,0.190803218,4.101263048,0.047945946,0.085856271,0.592747353,0.205421269,2.141078026,0.026141388,0.028738664,0.189483265,0.149651734,3.67E-05,8.35E-05,1.70E-25,6.65E-68,5.03E-132,7.33E-218,0,0,0,0,0,0,0,0,0,0,0,1.342963382,3.963718559,0.618279236,4.886894986,0.442583238,0.361974217,1.066740556,0.868840704,2.618123813,0.11364276,0.121923025,0.492295801,0.606153455,3.82E-04,8.70E-04,1.77E-24,6.93E-67,5.24E-131,7.63E-217,0,0,0,0,0,0,0,0,0,0,0,4.679132976,3.967627172,2.18359282,13.69283808,5.151187166,2.33791036,2.77414549,5.606911319,5.323896842,0.762816845,0.790867178,1.58810917,3.655137182,0.004627071,0.010562845,2.15E-23,8.41E-66,6.36E-130,9.27E-216,3.0E-323,0,0,0,0,0,0,0,0,0,0,1.97927691,3.96412988,0.913600507,5.844332423,0.943469692,0.620212184,1.39222283,1.48863988,3.01475903,0.19708681,0.209220447,0.70058335,1.017861384,8.28E-04,0.001889997,3.84E-24,1.50E-66,1.14E-130,1.66E-216,0,0,0,0,0,0,0,0,0,0,0,5.986458486,3.970339661,2.808410007,19.69530823,8.399843588,3.531420196,3.443831561,8.466784739,6.806251122,1.159870624,1.195376294,2.020059433,5.450035989,0.007573166,0.017289818,3.51E-23,1.38E-65,1.04E-129,1.52E-215,4.0E-323,0,0,0,0,0,0,0,0,0,0,2.717216901,3.653271849,1.286422545,7.191133095,1.745273522,0.895642134,1.845399679,2.16436266,3.618767776,0.289219199,0.346334747,1.028537761,1.662507005,0.001545645,0.003527192,7.17E-24,2.81E-66,2.12E-130,3.09E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,6.245792872,0.74998761,0.349171643,0.850351747,0.102109258,0.578640438,0.513132638,0.444431315,7.344952125,7.126995433,16.10756085,0.775527621,1.536204391,4.953122965,0.272263086,0.0752759,0.934434795,0.051363978,0.364519486,0.067934394,0.020655639,5.300661951,1.741898181,7.144073638,0.901652193,0.45310952,5.466117155,0.462412098,0.184058399,0.894239472,0.075649156,0.443547942,0.195809639,0.123491765,6.112587652,3.618794305,10.19660773,0.841359208,0.762849347,6.213752006,0.738198498,0.342390756,0.851859241,0.10120153,0.572732286,0.497226623,0.427337279,7.29434126,6.967265984,15.83214761,0.777788861,1.497296189,5.694966647,0.546982473,0.232547236,0.879599946,0.084482629,0.481324987,0.273747886,0.197128348,6.474496356,4.566594956,11.76548687,0.819399919,0.952201221,6.346114768,0.786885673,0.370400789,0.845765084,0.104870531,0.597336992,0.564502372,0.500115743,7.50340123,7.63573578,16.98879513,0.768647625,1.661955107,6.225369953,0.737536416,0.342298185,0.852182839,0.100960406,0.574869953,0.496291497,0.427106236,7.305204554,6.974827256,15.85167238,0.778274258,1.498267687 +UMLRON0216,L,2-hexene,CCCC=CC,19966, (trans) reported,UML,[1],C6H12,PubChem,,92.7,0,1.6868,2.84529424,36.2318,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,2033.932332,1482.11583,659.19605,169.670592,18.289152,0,0,3885.475125,5223.921076,8208.886547,8619.853418,5539.791773,2122.849263,559.5073998,0,0,167.819552,174.20624,341.930928,475.0278,569.654984,246.65472,120.932352,0,0,29.42500648,40.12790896,65.5272183,77.30135745,58.98366183,24.03324144,8.003032287,0,0,3973.037281,3464.315612,7415.485242,10450.98769,14405.24581,6275.494221,3328.517736,0,0,38.09027778,46,76.875,110.75,104.25,48,18,0,0,48.76541633,56.15943233,42.37359025,22.12113179,7.942121084,4.713072,1.016064,0,0,161.8947969,217.6633782,171.0184697,128.6545286,66.74447919,58.96803508,31.08374443,0,0,6.992481333,7.258593333,7.123561,7.089967164,6.86331306,6.85152,6.718464,0,0,1.226041937,1.671996207,1.365150381,1.153751604,0.710646528,0.66759004,0.444612905,0,0,165.54322,144.3464838,154.4892759,155.984891,173.5571785,174.3192839,184.917652,0,0,1.587094907,1.916666667,1.6015625,1.652985075,1.256024096,1.333333333,1,0,0,0.031154203,-0.005228525,0.011151884,-0.040279448,0.010549347,-0.001601147,0.009830787,0,0,645.6853813,6.32E-13,161.4213453,-874.3656206,147.9695666,-6.15E-13,242.132018,0,0,1200.679538,-5.68E-14,300.1698846,-1625.920208,275.1557275,1.42E-13,450.2548269,0,0,0.126485333,2.94E-15,0.031621333,-0.171282222,0.028986222,-2.21E-15,0.047432,0,0,5.367596186,1.20E-14,1.341899046,-7.268619835,1.230074126,-8.91E-15,2.01284857,0,0,29.15686767,-1.15E-13,7.289216918,-39.48325831,6.681782175,8.42E-14,10.93382538,0,0,2.84693287,-1.563368056,1.945023148,-3.332236208,1.646255305,-0.926649306,0.807508681,0,0,0.001298092,-2.18E-04,2.32E-04,-6.01E-04,1.27E-04,-4.45E-05,5.46E-04,0,0,26.90355756,2.63E-14,3.362944694,-13.05023314,1.782765862,-1.71E-14,13.45177878,0,0,50.0283141,-2.37E-15,6.253539262,-24.26746579,3.315129247,3.95E-15,25.01415705,0,0,0.005270222,1.22E-16,6.59E-04,-0.002556451,3.49E-04,-6.14E-17,0.002635111,0,0,0.223649841,5.02E-16,0.02795623,-0.108486863,0.01482017,-2.47E-16,0.111824921,0,0,1.214869486,-4.81E-15,0.151858686,-0.589302363,0.0805034,2.34E-15,0.607434743,0,0,0.118622203,-0.065140336,0.040521316,-0.049734869,0.019834401,-0.025740258,0.044861593,0,0,-0.16782727,0.178978798,-0.463130414,0.09791339,-0.034262827,0.420736683,0,0,9.79E-16,0.125,-0.485074627,0.06626506,-6.35E-16,0.5,0,0,-4.73E-17,0.125,-0.485074627,0.06626506,7.89E-17,0.5,0,0,2.32E-14,0.125,-0.485074627,0.06626506,-1.16E-14,0.5,0,0,2.24E-15,0.125,-0.485074627,0.06626506,-1.11E-15,0.5,0,0,-3.96E-15,0.125,-0.485074627,0.06626506,1.92E-15,0.5,0,0,-0.549141173,0.341599756,-0.419271161,0.167206482,-0.216993597,0.37818884,0,0,1.606192706,0.874208167,1.63389623,0.653415419,0.882900482,2.44E-05,0,0,1.4375,1.078125,1.609141791,0.675451807,0.71875,0,0,0,1.4375,1.078125,1.609141791,0.675451807,0.71875,0,0,0,1.4375,1.078125,1.609141791,0.675451807,0.71875,0,0,0,1.4375,1.078125,1.609141791,0.675451807,0.71875,0,0,0,1.4375,1.078125,1.609141791,0.675451807,0.71875,0,0,0,2.080495985,0.462851916,1.649603391,0.540416366,1.346478301,0,0,0,29.86036965,14.93018483,21.57405184,29.86036965,3.732546206,14.93018587,-1.60E-14,0.038722865,0.004840358,-2.601060022,40.70521371,5.088151714,2.965084948,29.86036965,14.93018483,21.57405184,29.86036965,3.732546206,14.93018587,-1.60E-14,0.038722865,0.004840358,-2.601060022,40.70521371,5.088151714,2.965084948,29.86036965,14.93018483,21.57405184,29.86036965,3.732546206,14.93018587,-1.60E-14,0.038722865,0.004840358,-2.601060022,40.70521371,5.088151714,2.965084948,29.86036965,14.93018483,21.57405184,29.86036965,3.732546206,14.93018587,-1.60E-14,0.038722865,0.004840358,-2.601060022,40.70521371,5.088151714,2.965084948,29.86036965,14.93018483,21.57405184,29.86036965,3.732546206,14.93018587,-1.60E-14,0.038722865,0.004840358,-2.601060022,40.70521371,5.088151714,2.965084948,29.86036965,14.93018483,21.57405184,29.86036965,3.732546206,14.93018587,-1.60E-14,0.038722865,0.004840358,-2.601060022,40.70521371,5.088151714,2.965084948,37.09383279,18.41748931,26.98705824,36.89969217,4.612461521,18.41748934,-0.258854167,0.031668791,0.003958599,-2.761938871,38.55196236,4.818995295,2.921605602,0,11.89,12.11011416,-0.157931538,0.06361414,5.97336841,9.025069321,8,24,24,24,8,0,0,0,0,0,17.491312,3.718740244,3.036513415,2.585026848,2.333552793,2.195395208,1.752860843,0.951765032,0.441179822,1.867888509,1.79476291,1.305504772,1.249629723,1.114836607,0.72187647,0.373073722,0.083923071,3.739362132,3.072744486,2.636119762,2.405454588,2.263223408,1.833339419,1.076585575,0.551150006,1.8126961,1.732108906,1.20244077,1.134540686,1.000818799,0.583583375,0.215393425,0.270913902,3.831193928,3.235043603,2.859956374,2.704236987,2.547944367,2.170883467,1.568028695,0.964951926,1.655971806,1.548873378,0.876599353,0.76031856,0.631463018,0.124709542,0.323125299,0.943918427,3.754612348,3.099635125,2.67379775,2.457539916,2.312537357,1.891880787,1.165445797,0.628327402,1.778029933,1.692286286,1.134813336,1.058262671,0.925334758,0.491172469,0.10893631,0.399277246,3.876680629,3.31502144,2.96690002,2.838982085,2.677660225,2.323809754,1.775799502,1.207644823,1.608967246,1.492207126,0.76810118,0.631337262,0.504944255,0.036211035,0.518371414,1.129634726,3.723504927,3.191487261,2.755265126,2.676024434,2.401401933,1.965585773,1.280893307,0.669069254,1.765581202,1.680445531,0.985554877,0.84162953,0.772529863,0.369584254,0.032348019,0.611464968,0,0,0,0,0,3,3,1,1,0,0,0.102062073,0.306186218,0.306186218,0,0,0.102062073,0.306186218,0.306186218,1.495781916,0.25,0,0,1.495781916,0.25,0,0,1.444814383,2.309822465,1.861881719,1.444814383,2.309822465,1.861881719,6.198670613,3.600953631,4.012184558,2.214961113,1.784584057,0.90104757,0,0,0.774833827,0.450119204,0.334348713,0.201360101,0.137275697,0.112630946,0,0,6.198670613,3.600953631,4.012184558,2.214961113,1.784584057,0.90104757,0,0,0.774833827,0.450119204,0.334348713,0.201360101,0.137275697,0.112630946,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,26.29160388,35.80022838,52.58320775,6.572900969,26.29160388,0.114256157,0.01428202,-1.735449891,60.65428433,7.581785541,3.284152218,49,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,7.098958333,0,4.327546296,0,0,0,0.990740741,0,0,0,0,0,0.666087963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.355902778,0,1.4375,0,0,0,0.990740741,0,0,0,0,0,0.666087963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.371527778,0,1.451388889,0,0,0,0.990740741,0,0,0,0,0,0.666087963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.08333333,1.635416667,0.2,2.371527778,0,0.666087963,5.736883681,0.583912037,0.371527778,2.197916667,0.583912037,0.371527778,2.197916667,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.375,0.125,0.125,4,0.5,4,0.5,0,0,-4,-0.5,0,0,9.00618,1.12577,9.00618,0,0,3.60095,0.45012,3.60095,0,0,0.31305,0.03913,0.39905,0.04988,0.208333333,8,0,0,0,0,0,0,1,0.918295834,1.522055209,2.666666667,3.40726823,3.240601563,3.29248125,22.03910002,36.52932501,64,81.77443751,77.77443751,79.01955001,0.200284263,0.331966774,0.581611445,0.743139825,0.706789109,0.718104292,3.666666667,3.062907292,1.918295834,1.177694271,1.344360938,1.29248125,0.200284263,0.331966774,0.581611445,0.743139825,0.706789109,0.718104292,6.73287657,13.97798907,18.57108885,19.31748564,17.31748564,19.20180045,31.59900002,22.03208126,18.42919792,16.57092761,19.15589011,16.90739375,6.125,1.75,1.487603306,0,0,0,2.34,1.1272,0.944940787,3.931112091,1.44224957,2.080083823,1.889881575,2.381101578,2.381101578,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.14,0.131,0.159,0.212,3.482,12,11,13,8,0,0,0,0,0,60,2.197224577,2.564949357,2.48490665,2.63905733,2.197224577,0,0,0,0,0,4.110873864,1,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.375,0,2,4,1,3.5,1.111111111,0.916666667,0,0,0,0,0,0,0,0.4375,0.092592593,0.152777778,0,0,0,0,0,0,0,0.68287037,14.93018483,21.57405184,29.86036965,3.732546206,14.93018587,0.038722865,0.004840358,-2.601060022,40.70521371,5.088151714,2.965084948,0,134.567877,4,3.713572067,4.465908119,5.361292166,6.137727054,7.027314514,7.816416984,8.697679732,9.495744853,10.36951454,79.08517002,2.833213344,0,4.17438727,2.397895273,5.659482216,4.727387819,7.204149292,6.762729507,8.782169426,9.129238771,112.1252005,4.671883355,15.24302953,1.905378692,0,0,0,58,6,4.467,40,1.331436567,2.357346344,3.343483618,4.020476117,5.064457466,6.075191816,0,0,0,0,94.01800751,119.9866651,84.36009306,38.42058896,26.48404788,6.172783697,0,0,0,0,334.770918,457.7763755,459.6521048,293.5688699,318.3636752,188.8397098,0,0,0,0,9.725938808,16.90531792,23.77122936,27.67792768,34.79334218,40.81595751,0,0,0,0,2.47012952,3.543087303,4.036972366,3.031473533,3.538693177,2.701108681,0,0,0,0,188.3541604,356.2510011,516.7957575,691.3339664,875.336369,1123.410206,0,0,0,0,2.592059654,3.996474107,5.655831504,5.220777641,6.988376752,6.075191816,0,0,0,0,0.509638069,0.73845747,0.858799173,0.664666183,0.783331738,0.622099642,0,0,0,0,334.6844683,134.8296891,8.34438648,36.13450053,-14.55700498,-2.074164651,298.5499677,149.3866941,10.41855113,0.902554876,0.363599763,0.022502588,0.097445124,-0.039256366,-0.00559347,124.1073494,49.99740627,3.09425679,13.39935822,-5.398013576,-0.769139597,0.074046213,0.154888033,1.372689159,1.514887146,370.8189688,0,1,0,402.4237007,20.06050101,7.38291469,557.416278,23.60966493,8.229874559,675.8948421,25.99797765,8.77592785,1.389700698,1.389700698,500.8199389,493.5002317,161.2088199,1.014832227,3.106653465,3.061248336,4.375166421,4.399631957,7.72856719,0.75663948,4.462408855,4.441407752,3.342998989,8.83214446,9.851421707,13.72886432,9.290755044,12.06501528,8.363047528,1.488904907,4.451047314,1.959888622,3.334641687,0.005387436,6.31E-04,1.43E-26,6.23E-71,5.24E-137,8.51E-225,0,0,0,0,0,0,0,0,0,0,0,0.374499053,4.441098785,0.778248746,3.363500826,1.177541304,2.536611138,0.676435646,0.359110856,0.450699632,0.061248561,0.91558695,0.015627362,0.057043502,3.79E-05,4.45E-06,1.01E-28,4.39E-73,3.69E-139,5.99E-227,0,0,0,0,0,0,0,0,0,0,0,1.208928595,4.441120061,1.122437269,4.163334849,2.154109761,4.094640276,1.609789719,1.465735564,1.414900101,0.239694803,1.306917984,0.148530188,0.33095915,3.95E-04,4.63E-05,1.05E-27,4.57E-72,3.85E-138,6.24E-226,0,0,0,0,0,0,0,0,0,0,0,4.212149946,4.441374053,3.122545209,8.385414598,9.039537825,12.78665386,8.471530608,10.89457607,7.648400035,1.361540169,4.117748516,1.747481206,2.994211931,0.004800109,5.63E-04,1.27E-26,5.55E-71,4.67E-137,7.58E-225,0,0,0,0,0,0,0,0,0,0,0,1.781738316,4.441147075,1.411959189,4.806351259,3.060235201,5.379905678,2.495471221,2.606288593,2.270052773,0.395735345,1.67363682,0.318139697,0.636310592,8.59E-04,1.01E-04,2.28E-27,9.93E-72,8.36E-138,1.36E-225,0,0,0,0,0,0,0,0,0,0,0,5.389004952,4.441549311,4.231273289,10.61328741,13.17637492,17.50928237,12.65536175,16.91389444,11.27050759,2.005856046,5.817789008,2.852364941,4.753806746,0.00785707,9.21E-04,2.08E-26,9.09E-71,7.65E-137,1.24E-224,0,0,0,0,0,0,0,0,0,0,0,2.954542274,3.978065834,1.655263728,5.434751618,4.804109624,7.741113927,4.453230992,5.208151997,4.282450682,0.624714195,3.016985545,0.741650796,1.409986199,0.002014305,2.36E-04,5.34E-27,2.33E-71,1.96E-137,3.18E-225,0,0,0,0,0,0,0,0,0,0,0,4.633046726,1.306010478,1.237364962,0.645592834,0.181986295,0.501808713,0.477286467,0.408950174,7.176422165,13.39958886,28.0630683,0.468389251,1.388045354,3.715157203,0.751714654,0.688178623,0.720682992,0.145821007,0.324349326,0.1389873,0.143473041,5.155050479,5.866743832,12.94369698,0.581024488,0.606809666,4.079420968,0.963006051,0.915446683,0.684710884,0.161635862,0.390166166,0.244070327,0.251997114,5.957873702,8.544580165,18.09879264,0.527066326,0.886233607,4.610294553,1.29155448,1.224529665,0.646933702,0.181235735,0.496944282,0.466666824,0.402032855,7.126378698,13.1814358,27.59921098,0.470400553,1.365643961,4.241917671,1.061129251,1.012678134,0.671643815,0.168013845,0.421481607,0.306605374,0.299153074,6.315725056,9.87150258,20.74551766,0.507465723,1.027240055,4.704285893,1.351369527,1.277439482,0.641514389,0.184283654,0.517192993,0.511170914,0.431234886,7.333094902,14.09296192,29.54703164,0.462271583,1.459598793,4.630683404,1.295734937,1.225257239,0.64749629,0.181179211,0.501278259,0.470126298,0.398628266,7.15167558,13.26152524,27.76491367,0.471244435,1.370032824 +UMLRON0217,L,"1,1,3-Trimethylcyclopentane",CC1CCC(C1)(C)C,20615,"Co-optima values predicted should not be used, Sandia MON averaged between co -optima database and UML value (should use UML MON value and sensitivity)","Sandia, UML",[9],C8H16,PubChem,,81.7,0,1.5036,2.26081296,36.2302,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1322.686687,1104.854525,852.728356,646.827051,438.979298,129.199392,12.192768,3885.475125,4800.404174,6143.871166,6181.357888,5014.563501,3728.011456,2637.560239,1396.036119,373.0049332,167.819552,166.665724,297.909052,385.60082,394.224016,270.87294,207.588872,124.924032,80.621568,29.42500648,37.33900896,51.8070368,56.2430874,48.09871206,35.07566706,25.38520679,14.69234634,5.335354858,3973.037281,3337.521256,6564.800706,8926.001252,9671.910895,6528.696872,5081.536821,3010.566693,2219.011824,45.52777778,51.16666667,72.41666667,89.16666667,81.83333333,61.33333333,50.66666667,34,12,48.76541633,52.3287937,31.49254017,20.08826409,14.9601466,16.585309,14.63264327,7.177744,1.016064,161.8947969,208.713225,146.2826468,112.3883252,87.97479826,95.59003733,87.91867463,77.55756218,31.08374443,6.992481333,7.246335826,7.093072667,7.010924,6.916210807,6.94546,6.919629067,6.940224,6.718464,1.226041937,1.623435172,1.233500876,1.022601589,0.843837054,0.899376078,0.84617356,0.816241463,0.444612905,165.54322,145.1096198,156.3047787,162.2909319,169.6826473,167.4024839,169.3845607,167.2537052,184.917652,1.896990741,2.224637681,1.724206349,1.621212121,1.435672515,1.572649573,1.688888889,1.888888889,1,0.052813749,-0.008723303,-0.016694825,-0.010269392,0.004584103,0.005469259,0.001001001,-0.016598682,0.014824965,645.6853813,-53.80711511,-161.4213453,-269.0355756,121.066009,-2.74E-13,40.35533633,-161.4213453,161.4213453,1200.679538,-100.0566282,-300.1698846,-500.283141,225.1274134,1.42E-13,75.04247115,-300.1698846,300.1698846,0.126485333,-0.010540444,-0.031621333,-0.052702222,0.023716,-7.38E-16,0.007905333,-0.031621333,0.031621333,5.367596186,-0.447299682,-1.341899046,-2.236498411,1.006424285,-2.69E-15,0.335474762,-1.341899046,1.341899046,29.15686767,-2.429738973,-7.289216918,-12.14869486,5.466912688,2.73E-14,1.822304229,-7.289216918,7.289216918,5.915509259,-1.230372299,-0.223668981,-1.843412423,0.547887731,0.228732639,1.686631944,-3.096354167,0.972800926,0.002200573,-3.79E-04,-3.97E-04,-1.87E-04,8.04E-05,1.40E-04,3.34E-05,-9.22E-04,0.001235414,26.90355756,-2.339439787,-3.843365365,-4.891555919,2.12396507,-7.01E-15,1.345177878,-8.967852519,13.45177878,50.0283141,-4.350288182,-7.146902014,-9.096057109,3.949603745,3.64E-15,2.501415705,-16.6761047,25.01415705,0.005270222,-4.58E-04,-7.53E-04,-9.58E-04,4.16E-04,-1.89E-17,2.64E-04,-0.001756741,0.002635111,0.223649841,-0.019447812,-0.031949977,-0.040663607,0.017656566,-6.90E-17,0.011182492,-0.074549947,0.111824921,1.214869486,-0.105640825,-0.173552784,-0.220885361,0.095910749,7.00E-16,0.060743474,-0.404956495,0.607434743,0.246479552,-0.053494448,-0.005325452,-0.03351659,0.009612065,0.005864939,0.056221065,-0.172019676,0.081066744,-0.172352407,-0.180632883,-0.084848913,0.036546325,0.063727682,0.015162727,-0.419049522,0.561405507,-0.086956522,-0.142857143,-0.181818182,0.078947368,-2.61E-16,0.05,-0.333333333,0.5,-0.086956522,-0.142857143,-0.181818182,0.078947368,7.28E-17,0.05,-0.333333333,0.5,-0.086956522,-0.142857143,-0.181818182,0.078947368,-3.59E-15,0.05,-0.333333333,0.5,-0.086956522,-0.142857143,-0.181818182,0.078947368,-3.09E-16,0.05,-0.333333333,0.5,-0.086956522,-0.142857143,-0.181818182,0.078947368,5.76E-16,0.05,-0.333333333,0.5,-0.217034019,-0.02160606,-0.135981217,0.038997415,0.023794832,0.228096263,-0.697906476,0.328898454,1.483126968,1.138128222,0.964133334,0.702550048,0.809001857,1.101197786,1.893586419,0.1952039,1.5,1.283482143,1.176136364,0.756578947,0.884615385,0.790625,1.197916667,0,1.5,1.283482143,1.176136364,0.756578947,0.884615385,0.790625,1.197916667,0,1.5,1.283482143,1.176136364,0.756578947,0.884615385,0.790625,1.197916667,0,1.5,1.283482143,1.176136364,0.756578947,0.884615385,0.790625,1.197916667,0,1.5,1.283482143,1.176136364,0.756578947,0.884615385,0.790625,1.197916667,0,1.587164938,0.759873662,0.945511464,0.679277925,0.891711693,0.921620035,3.024065741,0,38.8991452,19.4495726,31.19292295,38.8991452,4.862393151,19.44957261,1.07E-14,0.014183312,0.001772914,-3.404551378,31.00644972,3.875806215,2.747356191,38.8991452,19.4495726,31.19292295,38.8991452,4.862393151,19.44957261,1.07E-14,0.014183312,0.001772914,-3.404551378,31.00644972,3.875806215,2.747356191,38.8991452,19.4495726,31.19292295,38.8991452,4.862393151,19.44957261,1.07E-14,0.014183312,0.001772914,-3.404551378,31.00644972,3.875806215,2.747356191,38.8991452,19.4495726,31.19292295,38.8991452,4.862393151,19.44957261,1.07E-14,0.014183312,0.001772914,-3.404551378,31.00644972,3.875806215,2.747356191,38.8991452,19.4495726,31.19292295,38.8991452,4.862393151,19.44957261,1.07E-14,0.014183312,0.001772914,-3.404551378,31.00644972,3.875806215,2.747356191,38.8991452,19.4495726,31.19292295,38.8991452,4.862393151,19.44957261,1.07E-14,0.014183312,0.001772914,-3.404551378,31.00644972,3.875806215,2.747356191,55.22127318,27.36150465,44.79980625,54.85080433,6.856350541,27.36150465,-0.498263889,0.043737522,0.00546719,-2.50363914,28.56073598,3.570091997,2.681626325,0,11.79,12.21005852,-0.306947981,0.113285589,5.124353981,7.584528636,7,23,22,22,6,1,1,0,0,1,17.491312,3.522956524,3.270986581,2.757004616,2.333552793,2.078110866,1.436088184,0.983057018,0.90685681,1.91763473,1.713698804,1.38072873,1.249629723,0.984399341,0.641960797,0.379809899,0.349366804,3.549335011,3.300065945,2.800271486,2.405454588,2.145719637,1.534462971,1.105501695,1.035907903,1.859433504,1.647960609,1.293601867,1.134540686,0.866870995,0.497579853,0.221453298,0.187967209,3.665738735,3.429675518,2.990044223,2.704236987,2.434737102,1.938728939,1.589699459,1.539876748,1.689053983,1.45583215,1.027563309,0.76031856,0.490188384,0.013284451,0.323880236,0.370970303,3.568790828,3.321591866,2.83216962,2.457539916,2.195213073,1.605591067,1.192827331,1.127480563,1.82244249,1.606170109,1.237195309,1.058262671,0.789330388,0.400737673,0.114296581,0.078551079,3.722660241,3.493615541,3.081228629,2.838982085,2.568480993,2.117010064,1.795113545,1.751488829,1.636182762,1.396597811,0.942188778,0.631337262,0.363164119,0.158898994,0.524697387,0.578453007,3.604097335,3.388761412,2.890429419,2.561905788,2.232538369,1.650741398,1.273520318,1.217050746,1.88522611,1.559608265,1.112856773,0.943928259,0.69557704,0.327089381,0.042369411,0.062217196,0,0,1,1,0,2,3,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.144337567,0.288675135,0.204124145,0.11785113,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,5.983127663,3.37944541,2.613425644,1.189722705,0.670436988,0.319035594,0.166666667,0,0.747890958,0.482777916,0.373346521,0.237944541,0.167609247,0.106345198,0.083333333,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,6,1,0,2,0,0,0,0,0,0,0,0,2,1,3,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.646001512,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.379448696,0.320208333,0,0,1.400342971,0.290277778,0,0.699657029,0,0,0,0,0,0,0,0,4.506128118,3.657529289,3.824768519,0,1.988472222,0,0.856435185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.988472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.379448696,0.320208333,0,0,0.212046485,0.290277778,0,0.320208333,0,0,0,0,0,0,0,0,2.253064059,3.657529289,1.17875,0,1.988472222,0,0.856435185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.657529289,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.379448696,0.320208333,0,0,0.290277778,0.290277778,0,0.379448696,0,0,0,0,0,0,0,0,2.253064059,3.657529289,1.339305556,0,1.988472222,0,0.856435185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.83333333,1.854166667,0.379448696,3.657529289,0.212046485,0.856435185,5.874037263,0.476898148,0.657529289,2.327314815,0.476898148,0.657529289,2.327314815,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.375,0.125,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.09562,0.88695,8.40872,1.31311,0.16414,3.20517,0.40065,3.77005,0.56488,0.07061,0.14395,0.01799,0.14395,0.01799,0,7,0,0,0,0,0,0,0.75,0.918295834,2.215770674,3.355388542,3.438721876,3.40726823,3.331015105,22.03910002,53.17849618,80.52932501,82.52932501,81.77443751,79.94436251,0.200284263,0.483269094,0.731824642,0.75,0.743139825,0.726508691,3.666666667,2.369191827,1.229573959,1.146240625,1.177694271,1.253947396,0.200284263,0.483269094,0.731824642,0.75,0.743139825,0.726508691,6.73287657,17.20065,19.26519999,18.43317083,18.05572708,17.14068958,31.59900002,19.1084021,16.76278229,17.52694271,18.25325833,15.08822084,8,5.142857143,7.2,8,2,7,2.34,1.1928,0.721124785,4.146039495,1.754410643,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.126,0.12,0.128,0.152,3.431,7,5,4,3,2,0,0,0,0,36,2.197224577,2.197224577,1.945910149,1.791759469,1.609437912,1.609437912,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,0,144.287877,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,112.1252005,4.671883355,14.66595917,1.833244896,0,0,0,79,5,4.465,28,1.227,2.134253021,2.899043529,3.541574812,4.651630558,5.705100636,6.839837054,7.766401447,0,0,74.89491166,75.66658662,67.46746403,66.99903336,92.47387883,97.0507197,52.1182874,7.89116092,0,0,281.0620545,336.0934119,350.0486093,356.7366824,495.140067,546.9583502,553.2869337,241.4088377,0,0,8.925452504,15.19152468,20.37128242,24.61734666,32.44924077,39.60668973,47.57882437,52.17828853,0,0,2.127440242,2.777631007,3.105949093,3.279830041,4.51220407,5.124595214,5.765325885,3.453042308,0,0,175.9203541,329.7896096,467.2851589,591.7883472,768.1174276,956.649272,1135.319957,1436.14472,0,0,2.791311594,3.806907155,4.822179685,5.381816583,7.7315352,10.17678051,13.31412726,7.766401447,0,0,0.440993152,0.585565029,0.663330529,0.705973791,0.969057597,1.106317757,1.260780028,0.795279508,0,0,390.7417386,195.6075469,11.93679972,148.0288024,-74.10406429,-9.837399118,242.7129362,269.7116112,21.77419884,0.725247037,0.363062811,0.022155628,0.274752963,-0.137542903,-0.018258977,210.5201379,105.3875839,6.431196043,79.75355796,-39.92508681,-5.300100845,0.113122622,0.205012556,2.249751183,5.132105268,538.770541,0,1,0,455.2209468,21.33590745,7.692616449,610.8504609,24.71538915,8.484865622,719.8177212,26.82941895,8.962053073,2.034470702,2.034470702,766.2028241,717.4835576,82.38725903,1.067902973,9.300015962,8.708671292,4.469623153,4.57798827,8.978775629,0.961292843,4.707395531,5.811923829,3.617252674,21.53240082,8.240790793,4.103609323,6.443954427,11.36950575,9.880007221,1.436507262,3.069225501,4.042751858,3.50153134,1.80168698,1.28130725,0.173331813,1.911882861,3.18E-12,1.02E-45,6.30E-101,7.52E-178,1.73E-276,0,0,0,0,0,0,0,0,0.395069795,5.811642418,0.227830462,7.170408176,0.557602363,0.17401124,0.573869727,0.422252612,2.937953626,0.061436166,0.074199601,1.013449574,0.14348486,0.712548647,0.1047183,0.014047112,0.013465547,2.24E-14,7.18E-48,4.44E-103,5.30E-180,1.22E-278,0,0,0,0,0,0,0,0,1.275307413,5.81166178,0.785372069,8.672359958,1.08196357,0.666822558,1.589204899,1.673361507,3.97725309,0.237203119,0.333199,1.404705998,0.562272584,0.913834586,0.339896962,0.045674876,0.140321385,2.33E-13,7.48E-47,4.63E-102,5.52E-179,1.27E-277,0,0,0,0,0,0,0,0,4.443398039,5.81189313,3.362239635,20.14741167,7.401119634,3.753620838,6.019897193,10.35140759,9.321394258,1.315211165,2.761222673,3.776963664,3.201618258,1.727570848,1.207512648,0.163267208,1.703453209,2.83E-12,9.08E-46,5.62E-101,6.70E-178,1.54E-276,0,0,0,0,0,0,0,0,1.879562943,5.811686379,1.207986835,10.12789162,1.751888898,1.096960668,2.340499818,2.824217834,4.802852974,0.389012871,0.615613751,1.740718619,0.928934444,1.058255438,0.502820849,0.067649309,0.304796799,5.07E-13,1.62E-46,1.00E-101,1.20E-178,2.76E-277,0,0,0,0,0,0,0,0,5.684859415,5.81205279,4.615400933,27.23464275,11.76904104,5.523698828,8.087503647,15.53409653,12.10002121,1.92775367,4.351151474,5.118061947,4.7190858,2.084553066,1.556539094,0.210952256,2.788301472,4.64E-12,1.49E-45,9.19E-101,1.10E-177,2.52E-276,0,0,0,0,0,0,0,0,2.650813001,4.259011338,1.701130417,11.27996695,2.711098473,1.586852771,3.650073698,4.184331562,5.889101627,0.581331496,0.985572611,2.73780781,1.341341198,1.898521498,1.096804872,0.098945315,0.556113889,9.25E-13,2.96E-46,1.83E-101,2.19E-178,5.03E-277,0,0,0,0,0,0,0,0,6.867346246,1.142697829,0.51359917,0.805682036,0.134062137,0.496226967,0.479244265,0.394133524,8.523643245,11.96125363,24.51526449,0.708523054,1.369604756,6.289636869,0.584596022,0.15079477,0.895318449,0.083216188,0.415999046,0.124252016,0.033141362,7.025027661,4.713495057,12.29297951,0.842977674,0.573392423,6.519049061,0.805575092,0.295604975,0.855492525,0.105715337,0.4470022,0.236639617,0.129303127,7.620229127,7.416778882,16.58940223,0.783238788,0.812944944,6.853040266,1.128825051,0.504676428,0.807518595,0.133013551,0.494153862,0.467549047,0.380476755,8.486541745,11.76414281,24.15480262,0.711277892,1.342179664,6.62132256,0.904409242,0.359803117,0.839679569,0.114692187,0.461186778,0.298804033,0.192339065,7.885534919,8.696167079,18.7363417,0.759519353,0.952329876,6.912135589,1.186141794,0.541520751,0.800034385,0.137288137,0.502745881,0.516824537,0.438413791,8.639798134,12.58415816,25.66376195,0.700051578,1.457984209,6.913871752,1.128816865,0.504202693,0.808934091,0.132073385,0.502961709,0.467470537,0.379683756,8.54689131,11.8596403,24.34157902,0.713401136,1.350116001 +UMLRON0218,L,6-methyl-1-heptene,CC(C)CCCC=C,21122,[9] has RON of 63.8,UML,[1],C8H16,PubChem,,63.6,0,-0.9841,0.96845281,23.5831,17.603516,0,0,18,6,12,0,5,0,1,0,0,0,0,0,0,0,989.481374,918.525433,1047.196341,759.190535,509.05819,144.307296,12.192768,0,0,2706.980219,3340.91352,4157.215774,3778.220615,2628.230973,1391.118395,373.0049332,0,0,131.675864,127.961068,226.90794,286.73066,235.343872,152.140032,80.621568,0,0,19.92305886,25.2786954,34.06730449,33.40795106,24.78086426,14.28985608,5.335354858,0,0,3038.434891,2530.053054,4954.678529,6588.374072,5695.167103,3661.504836,2219.011824,0,0,62.27777778,43.25,69,85.33333333,63,43,12,0,0,54.97118744,54.03090782,33.78052713,19.46642397,15.42600576,6.871776,1.016064,0,0,150.3877899,196.5243247,134.1037346,96.87745167,79.64336282,66.24373311,31.08374443,0,0,7.315325778,7.527121647,7.319610968,7.352068205,7.131632485,7.244763429,6.718464,0,0,1.106836603,1.486982082,1.098945306,0.85661413,0.750935281,0.680469337,0.444612905,0,0,168.8019384,148.8266503,159.8283396,168.9326685,172.5808213,174.3573732,184.917652,0,0,3.459876543,2.544117647,2.225806452,2.188034188,1.909090909,2.047619048,1,0,0,0.220654315,-0.110170166,0.010128236,-0.03047214,0.029655762,-0.029263732,0.019794884,0,0,557.7912351,-66.11605249,-82.74028647,-208.688303,53.95116685,-156.8147364,181.5125939,0,0,815.6252945,-79.2452518,-254.7450064,-219.4417625,43.45488204,-160.1415306,262.3060219,0,0,1.059967111,-0.095141383,0.003255753,-0.34703363,0.001078519,-0.216447407,0.124304593,0,0,3.576219349,-0.265723223,-1.464103123,-0.631566778,-0.003619501,-0.405885722,0.982788672,0,0,19.7674611,-1.32649563,-8.520916016,-2.96031819,-0.375585911,-1.745405988,5.044991183,0,0,23.75308642,-4.242112483,1.73079561,-8.215020576,1.961934156,-5.684156379,2.572016461,0,0,0.012258573,-0.006480598,3.27E-04,-7.81E-04,8.99E-04,-0.001393511,0.001649574,0,0,30.98840195,-3.889179558,-2.669041499,-5.350982127,1.634883844,-7.4673684,15.12604949,0,0,45.31251636,-4.6614854,-8.21758085,-5.626711858,1.316814607,-7.62578717,21.85883516,0,0,0.058887062,-0.005596552,1.05E-04,-0.008898298,3.27E-05,-0.010307019,0.010358716,0,0,0.198678853,-0.015630778,-0.047229133,-0.01619402,-1.10E-04,-0.019327892,0.081899056,0,0,1.098192283,-0.078029155,-0.274868259,-0.075905595,-0.011381391,-0.083114571,0.420415932,0,0,1.319615912,-0.249536028,0.055832116,-0.210641553,0.05945255,-0.270674113,0.214334705,0,0,-0.528658434,0.026652146,-0.063737999,0.073308651,-0.11367645,0.134564901,0,0,-0.12550436,-0.086130337,-0.17267693,0.052757927,-0.240973007,0.488119701,0,0,-0.102874123,-0.181353443,-0.124175665,0.029060726,-0.168293173,0.482401705,0,0,-0.095038736,0.001783487,-0.151107865,5.55E-04,-0.175030288,0.175908183,0,0,-0.078673586,-0.237715954,-0.081508524,-5.52E-04,-0.097282077,0.412218285,0,0,-0.071052361,-0.250291559,-0.069118674,-0.010363751,-0.075683077,0.382825429,0,0,-0.189097469,0.042309369,-0.159623381,0.04505292,-0.20511583,0.162422037,0,0,1.431002721,0.714570162,1.198708637,0.869018289,1.287923142,0.337304366,0,0,1.409452341,1.137818133,1.154835598,0.773951304,1.104188892,0,0,0,1.590373361,1.337815477,1.023064922,0.77454043,0.906286043,0,0,0,1.043987109,0.822591682,1.402198901,0.806118551,1.355438462,0,0,0,1.655711089,1.428720052,0.971518306,0.781771449,0.80356753,0,0,0,1.661705788,1.443354215,0.96545488,0.784799804,0.783613671,0,0,0,1.149558212,0.778544363,1.40539541,0.762686638,1.397312147,0,0,0,21.0931329,10.67156645,16.73713056,21.25979956,3.543299927,10.67162594,0.25,0.102950955,0.017158493,-1.364101539,23.20197762,3.86699627,1.88654251,21.09611656,10.67269107,16.7385286,21.26229361,3.543715602,10.67275048,0.249265579,0.102877784,0.017146297,-1.364528135,23.19538835,3.865898058,1.886372089,23.78300691,11.69200622,18.10347587,23.5170106,3.919501766,11.69202563,-0.398994478,0.023781959,0.00396366,-2.243296809,19.69194089,3.281990148,1.788125676,21.09924811,10.67387145,16.73999615,21.26491131,3.544151884,10.67393078,0.2484948,0.102800957,0.017133493,-1.364976368,23.18848087,3.864746811,1.886193385,26.69700248,12.80735411,19.94147926,25.97547297,4.329245494,12.8073603,-1.082294264,0.09280724,0.015467873,-1.426338372,21.50729029,3.584548382,1.841035177,21.40627616,10.78970517,16.88502839,21.52169895,3.586949825,10.78975701,0.173134186,0.095123446,0.015853908,-1.41154788,22.55100076,3.758500126,1.869467667,23.03258599,11.80795966,19.15018972,23.42147488,3.903579147,11.80798076,0.583333333,0.120670678,0.02011178,-1.26881407,19.21464693,3.202441154,1.773403709,0,11.99640057,15.99794223,-0.418488723,0.077562269,4.418856186,6.619769203,5,17,17,17,5,0,0,0,0,0,13.118484,3.451581157,2.964392103,2.244612376,2.047170761,1.402796895,0.896721912,0.083923071,0.083923071,1.846911721,1.54731245,1.142493283,0.761946115,0.581728649,0.291315589,0.083923071,0.083923071,3.447177728,2.973650549,2.307442282,1.88324323,1.455961778,0.967025283,0.270913902,0.270913902,1.800233664,1.477806211,1.031339843,0.744058134,0.482374437,0.158406045,0.270913902,0.270913902,3.598945262,3.187569899,2.606235828,2.357725681,1.920050375,1.515824543,0.943918427,0.943918427,1.597611338,1.19771994,0.656174569,0.232926156,0.052449434,0.439804323,0.943918427,0.943918427,3.460749678,2.997394463,2.357445623,1.876090148,1.505808893,1.03263438,0.399277246,0.399277246,1.771976535,1.433484879,0.958849347,0.735180646,0.396024085,0.0587047,0.399277246,0.399277246,3.652564249,3.269390762,2.737527918,2.44188618,2.094471537,1.719106223,1.207644823,1.207644823,1.543823786,1.117110629,0.529395576,0.126738149,0.218084872,0.639291409,1.207644823,1.207644823,4.292345084,3.335754446,2.940736508,2.469335657,1.72747684,1.285185569,0.6,0.6,1.69685714,1.256790354,0.799608281,0.343283694,0.078193555,0.32389892,0.6,0.6,0,0,0,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.182574186,0,0,0,0.288675135,0.288675135,0,0.129099445,0.129099445,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.438777427,2.450904231,1.637696501,0.706449714,0.417774579,0,0,0,0.739796238,0.490180846,0.3275393,0.235483238,0.20888729,0,0,0,8.965765927,17.6576839,16.70196078,16.96,10.27156647,139.5813569,0.498098107,0.980982439,0.92788671,0.942222222,0.570642582,7.754519827,1.1673,26.5888,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.625277778,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0.625277778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.574722222,0,0,0,0,0,0,0,0,0,0,0,3.87125,0,2.011574074,0,0,0,-0.101851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.625277778,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0.625277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,1.809027778,0,0.930555556,0,0,0,-0.101851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.625277778,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0.625277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.062222222,0,1.081018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,2.388888889,0.625277778,8.552361111,0.24,-0.101851852,2.598671667,1.435185185,2.552361111,5.229166667,1.435185185,2.552361111,5.229166667,2.83333,0.47222,0,0.02778,0.47593,0.82778,0.42,0.47593,0.75238,0.05593,0,-0.05593,0.0754,0.57047,0.14382,0,0.47059,0.17647,0,2.75,0.45833,2.75,0.45833,0,0,-2.75,-0.45833,0,0,4.92873,0.82145,5.69868,0.76996,0.12833,2.47593,0.41266,2.77005,0.29412,0.04902,0.14395,0.02399,0.14395,0.02399,0,5.01,1,1,1,1,1,1,1,1.134969975,1.833605679,2.86382639,3.308270835,3.007435418,2.372180556,20.42945954,33.00490222,51.54887502,59.54887502,54.13383752,42.69925001,0.272179949,0.439721501,0.68678127,0.793364589,0.721220506,0.56887847,3.034955027,2.336319323,1.306098611,0.861654167,1.162489584,1.797744445,0.27767102,0.448592623,0.700636679,0.809370253,0.735770705,0.580355259,10.25843817,15.60956847,19.09055624,18.3171257,16.68881428,10.95563906,21.93297423,16.70416525,14.36524723,14.70693473,12.27502153,8.385965281,6,3.2,5.333333333,6,0,5,1.9,0.8718,0.25,2.149139864,1.154700538,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,2.891,5,3,2,0,0,0,0,0,0,21,1.791759469,1.791759469,1.386294361,1.098612289,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,20.23,103.8266085,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,88.088815,4.893823056,10.67917749,1.779862916,2.347570326,2.347570326,0,32,3,1.311,20,1.216411765,2.109456663,2.838347754,3.462022645,4.576646605,5.32052519,0,0,0,0,77.15821427,80.22774842,62.67236103,66.01177519,33.73286656,5.405994107,0,0,0,0,263.9099389,303.8103253,294.620486,313.4245243,319.2305716,165.3818452,0,0,0,0,9.180431628,15.53605194,20.93785587,24.77905529,33.27968454,35.74575695,0,0,0,0,1.941447524,2.433242608,2.543787937,2.845610608,3.236807085,2.36557416,0,0,0,0,178.6200885,333.8264647,476.921943,588.3334501,792.231694,983.8590256,0,0,0,0,3.146416667,4.937608595,6.356237931,6.937490128,9.644260913,5.32052519,0,0,0,0,0.425350094,0.553804064,0.595625699,0.659406088,0.772268979,0.544821779,0,0,0,0,342.5702258,198.0253776,14.79615944,165.5153326,-95.67742249,-19.54817239,177.0548932,293.7028001,34.34433184,0.674237282,0.389748093,0.029121393,0.325762718,-0.188309667,-0.038474174,174.0549844,100.6138345,7.517714933,84.09595016,-48.61231663,-9.932144085,0.363467694,0.679435028,10.53325134,20.27831605,449.259825,58.82573339,0.884220812,0.115779188,346.0061755,18.60124124,7.020390718,470.5945044,21.69319028,7.778256915,542.2927022,23.28717892,8.154761302,1.741404689,1.741404689,318.9571562,276.1450121,69.94207738,1.155035008,4.560304299,3.948195742,3.616270107,3.220194404,6.42424645,0.994987148,3.782243497,4.176849799,2.985987976,11.74758675,6.953251467,1.474400629,2.973013093,9.335118736,2.44904464,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337322539,4.30372162,0.226660141,4.185311385,0.33121844,0.023271695,0.275000569,0.494874788,1.050814869,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0.969469194,4.067497601,0.656187855,4.535056629,0.8381944,0.12481751,0.66872299,1.565392528,1.168080276,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.793087398,4.303384815,2.981656037,11.63381103,6.449908436,1.35490191,2.75301997,9.034932801,2.648310682,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.361918399,3.977740588,0.937022594,5.039449567,1.404897453,0.242638299,0.985654496,2.391661098,1.211198142,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.748236975,4.257085854,3.89484302,15.16567911,9.855805963,2.146325321,3.852338186,12.72197443,3.142420634,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.484116726,4.488422505,2.492409635,10.88401644,3.940693416,0.735478855,1.533927549,6.507276107,3.688916459,1.718839852,0.058521852,0.405615798,2.89E-15,3.97E-51,1.05E-108,5.38E-188,5.30E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.843356927,0.859642976,0.554820098,0.730979175,0.163497985,0.537692175,0.439323599,0.429968814,5.257820002,5.913233657,13.00413199,0.596468762,1.406984588,3.030096714,0.679301343,0.154080312,0.784292398,0.175826361,0.345968709,0.258250799,0.031991651,3.863478369,2.629893978,6.810523368,0.676438597,0.636211159,3.427492085,0.65763866,0.324374519,0.777296291,0.149141144,0.428726489,0.262314909,0.149743546,4.409505263,3.579163622,8.719825692,0.665944436,0.840784945,3.782328955,0.886883113,0.535901053,0.726656437,0.170386905,0.521339447,0.4649001,0.393945833,5.205113121,5.856719343,12.8595038,0.589984656,1.38018538,3.605732944,0.667590757,0.401570654,0.771297204,0.142803389,0.473235806,0.274955696,0.236574735,4.674894356,4.12319538,9.764732136,0.656945806,0.984766237,3.880853964,0.895377373,0.580158675,0.724527892,0.167160601,0.548268635,0.474151522,0.465924071,5.356390012,6.24580087,13.61814297,0.586791838,1.488344228,3.799502782,0.886914074,0.536959249,0.727403638,0.169797092,0.52604608,0.464828021,0.395485965,5.223376105,5.88624737,12.9190862,0.591105457,1.386360067 +UMLRON0219,L,2-pentanol,CCCC(C)O,22386,Sandia values from the co-optima database which were measured by NREL and PNNL,Sandia,,C5H12O,PubChem,,99.4,0,0.6916,0.47831056,31.0165,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1117.887126,893.95858,652.923435,450.070322,143.338608,15.24096,0,3399.790734,4147.41404,5146.671182,4997.655438,3914.513922,2721.213111,1572.940224,466.2561665,0,146.842108,144.889944,254.780376,302.16136,311.183724,207.98804,145.478592,100.77696,0,25.74688067,32.32302034,43.45041525,45.21878842,37.74334449,26.0541382,16.69511646,6.669193573,0,3476.407621,2904.481805,5672.393611,6924.088246,7638.202784,5049.741717,3533.524545,2773.76478,0,40.52777778,45.33333333,63.41666667,75.33333333,66.16666667,48.5,35,15,0,48.76541633,51.7541979,31.05242017,20.78973442,14.50940967,15.00234407,6.825648,1.016064,0,161.8947969,207.370702,142.9630884,116.2245451,86.98919828,90.70710369,74.90191545,31.08374443,0,6.992481333,7.2444972,7.077232667,7.027008372,6.915193867,6.932934667,6.927552,6.718464,0,1.226041937,1.616151017,1.206955979,1.051599731,0.838740989,0.868471273,0.795005546,0.444612905,0,165.54322,145.2240902,157.5664892,161.025308,169.7378397,168.3247239,168.2630736,184.917652,0,1.92989418,2.266666667,1.761574074,1.751937984,1.47037037,1.616666667,1.666666667,1,0,0.043380486,-0.004342931,-0.010589637,-0.02082192,0.013109579,2.31E-04,-0.012314967,0.013038351,0,564.9747087,-53.80711511,-80.71067267,-269.0355756,80.71067267,-2.17E-13,-161.4213453,201.7766817,0,1050.594596,-100.0566282,-150.0849423,-500.283141,150.0849423,1.42E-13,-300.1698846,375.2123557,0,0.110674667,-0.010540444,-0.015810667,-0.052702222,0.015810667,-4.52E-16,-0.031621333,0.039526667,0,4.696646663,-0.447299682,-0.670949523,-2.236498411,0.670949523,-2.58E-15,-1.341899046,1.677373808,0,25.51225921,-2.429738973,-3.644608459,-12.14869486,3.644608459,-4.22E-15,-7.289216918,9.111521147,0,5.383597884,-1.402368355,0.982615268,-2.768266566,0.467687075,1.035336357,-2.30026455,1.293461829,0,0.002065737,-2.17E-04,-2.94E-04,-4.84E-04,2.91E-04,7.71E-06,-5.86E-04,8.69E-04,0,26.90355756,-2.690355756,-2.24196313,-6.256641292,1.793570504,-7.22E-15,-7.68673073,13.45177878,0,50.0283141,-5.00283141,-4.169026175,-11.63449165,3.33522094,4.74E-15,-14.29380403,25.01415705,0,0.005270222,-5.27E-04,-4.39E-04,-0.001225633,3.51E-04,-1.51E-17,-0.001505778,0.002635111,0,0.223649841,-0.022364984,-0.018637487,-0.052011591,0.014909989,-8.60E-17,-0.063899955,0.111824921,0,1.214869486,-0.121486949,-0.101239124,-0.282527788,0.080991299,-1.41E-16,-0.347105568,0.607434743,0,0.256361804,-0.070118418,0.027294869,-0.064378292,0.010393046,0.034511212,-0.109536407,0.086230789,0,-0.105118169,-0.142397854,-0.234410572,0.141026628,0.003732012,-0.283882634,0.420781162,0,-0.1,-0.083333333,-0.23255814,0.066666667,-2.69E-16,-0.285714286,0.5,0,-0.1,-0.083333333,-0.23255814,0.066666667,9.47E-17,-0.285714286,0.5,0,-0.1,-0.083333333,-0.23255814,0.066666667,-2.86E-15,-0.285714286,0.5,0,-0.1,-0.083333333,-0.23255814,0.066666667,-3.85E-16,-0.285714286,0.5,0,-0.1,-0.083333333,-0.23255814,0.066666667,-1.16E-16,-0.285714286,0.5,0,-0.273513514,0.106470106,-0.251122793,0.040540541,0.134619165,-0.427272727,0.336363636,0,1.41821491,1.179729366,1.179146148,0.716520779,0.941988158,1.268344768,0.088256024,0,1.5,1.19047619,1.245847176,0.761904762,0.857142857,1.12244898,0,0,1.5,1.19047619,1.245847176,0.761904762,0.857142857,1.12244898,0,0,1.5,1.19047619,1.245847176,0.761904762,0.857142857,1.12244898,0,0,1.5,1.19047619,1.245847176,0.761904762,0.857142857,1.12244898,0,0,1.5,1.19047619,1.245847176,0.761904762,0.857142857,1.12244898,0,0,1.640786241,0.600532351,1.411119365,0.722358722,0.841031941,1.769041769,0,0,29.0322193,14.51610965,23.28706805,29.0322193,4.1474599,14.51611113,-1.78E-15,0.130230827,0.018604404,-1.426912769,23.80541052,3.400772932,2.218939021,29.0322193,14.51610965,23.28706805,29.0322193,4.1474599,14.51611113,-1.78E-15,0.130230827,0.018604404,-1.426912769,23.80541052,3.400772932,2.218939021,29.0322193,14.51610965,23.28706805,29.0322193,4.1474599,14.51611113,-1.78E-15,0.130230827,0.018604404,-1.426912769,23.80541052,3.400772932,2.218939021,29.0322193,14.51610965,23.28706805,29.0322193,4.1474599,14.51611113,-1.78E-15,0.130230827,0.018604404,-1.426912769,23.80541052,3.400772932,2.218939021,29.0322193,14.51610965,23.28706805,29.0322193,4.1474599,14.51611113,-1.78E-15,0.130230827,0.018604404,-1.426912769,23.80541052,3.400772932,2.218939021,29.0322193,14.51610965,23.28706805,29.0322193,4.1474599,14.51611113,-1.78E-15,0.130230827,0.018604404,-1.426912769,23.80541052,3.400772932,2.218939021,39.96439291,19.78299011,32.67192553,39.67981241,5.66854463,19.78299011,-0.398412698,0.172733698,0.024676243,-1.229202931,21.81427286,3.116324694,2.157795132,0,11.89,12.11009426,-0.173302362,0.049665741,5.149588588,7.53557178,6,20,19,19,5,1,1,0,0,1,15.304898,3.527651715,3.160096539,2.526209549,2.223306854,1.790620404,1.247882563,0.424404909,0.083923071,1.894507479,1.666989278,1.30096929,1.108237756,0.850586657,0.575343649,0.083923071,0.083923071,3.550768366,3.194777382,2.582661661,2.291963745,1.874478283,1.362711948,0.536926724,0.270913902,1.837947883,1.594321329,1.197702114,0.996156127,0.719729217,0.422948026,0.270913902,0.270913902,3.655391577,3.34687131,2.825635698,2.579080168,2.223370313,1.819538192,0.963715902,0.943918427,1.676838473,1.377077027,0.87272197,0.633235659,0.288618046,0.098398575,0.943918427,0.943918427,3.567961224,3.220319149,2.6240445,2.341817624,1.935321748,1.444751355,0.616167386,0.399277246,1.802368147,1.547715939,1.130052228,0.92198642,0.632535392,0.320061387,0.399277246,0.399277246,3.708023142,3.420429104,2.939518756,2.709310837,2.379895731,2.014857828,1.207644823,1.207644823,1.628433413,1.308440853,0.765114478,0.508794749,0.138379652,0.288840133,1.134156552,1.207644823,3.62179896,3.230156134,2.639898553,2.556858088,1.956261107,1.476857074,0.659651977,0.53164557,1.840573605,1.492665681,1.084582076,0.732607858,0.547237887,0.25394137,0.53164557,0.53164557,0,0,1,0,1,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.25,0,0,0,0.288675135,0.204124145,0.204124145,0.176776695,0.125,0.125,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,5.328427125,2.914213562,2.060660172,0.957106781,0.478553391,0.301776695,0,0,0.761203875,0.48570226,0.343443362,0.239276695,0.159517797,0.150888348,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,2,1,3,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.099907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.361875,0,0,0,0.97625,0.580555556,0,0.361875,0,0,0,0,0,0,0,0,4.276388889,3.792638889,3.79037037,0,0,0,0,0,0,1.307268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.307268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.361875,0,0,0,0.216944444,0.290277778,0,0.361875,0,0,0,0,0,0,0,0,2.079027778,3.792638889,1.204861111,0,0,0,0,0,0,1.307268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.792638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.361875,0,0,0,0.290277778,0.290277778,0,0.361875,0,0,0,0,0,0,0,0,2.197361111,3.792638889,1.300925926,0,0,0,0,0,0,1.307268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.16666667,1.880952381,0.361875,3.792638889,0.071597222,1.204861111,4.696092824,0.359398148,0.792638889,2.138055556,0.359398148,0.792638889,2.138055556,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.75577,0.82225,7.02591,1.27014,0.18145,2.72875,0.38982,3.27005,0.5413,0.07733,0.14395,0.02056,0.14395,0.02056,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.153291232,3.368042423,3.463280518,3.558518613,3.140202668,19.28421252,45.21911587,70.72889087,72.72889087,74.72889087,65.94425603,0.209068641,0.49024035,0.766803056,0.788485937,0.810168818,0.714930722,3.474021589,2.239026191,1.024275,0.929036905,0.83379881,1.252114755,0.209068641,0.49024035,0.766803056,0.788485937,0.810168818,0.714930722,6.73287657,17.21697421,19.48810467,18.5372142,19.68007134,14.66028,27.64912502,16.33397711,14.3059685,15.14260039,13.77556186,11.26566619,7,4.166666667,6,7,2,6,2.23,1.0519,0.814325285,3.639717277,1.889881575,0,2.381101578,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.104,0.088,0.143,0.175,3.137,6,4,3,2,0,0,0,0,0,28,2.079441542,2.197224577,1.791759469,1.609437912,1.386294361,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,0,126.9918924,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,98.10955045,4.671883355,12.67036528,1.810052182,0,0,0,52,4,3.45,24,1.2229,2.118990253,2.921200347,3.583132494,4.631510173,5.724076397,6.446029286,0,0,0,73.6156376,74.85494167,69.15483024,64.19080284,81.55321812,41.04226786,6.5495783,0,0,0,277.7186352,328.6771511,362.5315093,350.5542731,463.0924858,443.6159053,200.3667269,0,0,0,8.892335553,15.05442701,20.575256,24.88230111,32.24168017,39.72480008,43.3074157,0,0,0,2.107286619,2.714253312,3.209232546,3.254721809,4.310593495,4.669593597,2.865987805,0,0,0,175.5375183,329.7297233,467.0004986,600.4581515,769.6192753,957.498226,1191.9846,0,0,0,2.84095,3.898519662,5.236386978,5.470822395,7.853261168,9.663703028,6.446029286,0,0,0,0.4370085,0.572331015,0.684793985,0.701714724,0.928999095,1.023177262,0.660073399,0,0,0,368.0887611,156.8909707,10.52337661,163.312847,-69.60905577,-10.61951977,204.7759141,226.5000265,21.14289639,0.692675286,0.295239925,0.019803058,0.307324714,-0.130991429,-0.019983981,195.6029596,83.37211415,5.592139255,86.78470955,-36.99036418,-5.643229886,0.125358261,0.233934812,2.986716478,4.899718279,531.4016082,0,1,0,395.3145785,19.88251942,7.339181199,531.3577082,23.05119754,8.099576812,612.4650146,24.74803052,8.492334564,1.797741956,1.797741956,514.0937425,458.6729374,72.15020129,1.120828592,7.125326517,6.357195534,4.058772905,4.462585949,7.652389268,0.714788097,4.067936095,4.914041019,5.068419723,15.29788286,4.218150879,4.148088568,3.628330405,10.51231436,7.464314149,1.540912493,2.42846316,1.033338574,3.850075463,1.432305862,1.13E-05,1.26E-31,2.70E-79,1.12E-148,8.90E-240,0,0,0,0,0,0,0,0,0,0,0,0.341404395,4.913792843,0.214993315,5.659297533,0.04309978,0.18823946,0.464064611,0.41178263,2.617126358,0.053964939,0.051315719,0.058804505,0.213495371,0.010087847,7.96E-08,8.85E-34,1.90E-81,7.86E-151,6.27E-242,0,0,0,0,0,0,0,0,0,0,0,1.102068962,4.91380993,0.832639481,6.522072995,0.343444484,0.712862358,1.025546253,1.637862843,3.046590055,0.22385775,0.26607409,0.144738154,0.761417388,0.105123147,8.30E-07,9.23E-33,1.98E-80,8.19E-150,6.53E-241,0,0,0,0,0,0,0,0,0,0,0,3.839800494,4.914013949,4.639326663,14.31702158,3.767323127,3.805317553,3.404753987,9.598340465,6.969480788,1.402610571,2.187253243,0.933706344,3.558680897,1.276158737,1.01E-05,1.12E-31,2.40E-79,9.94E-149,7.93E-240,0,0,0,0,0,0,0,0,0,0,0,1.62424134,4.913831627,1.367397995,7.442339293,0.713483998,1.157226054,1.436049607,2.727651338,3.507664365,0.380159833,0.493806557,0.237277841,1.195264569,0.228341522,1.80E-06,2.00E-32,4.30E-80,1.78E-149,1.42E-240,0,0,0,0,0,0,0,0,0,0,0,4.912619538,4.91415473,6.806999954,19.37328788,6.1090368,5.531157392,4.490039689,14.23201008,9.521377945,2.106656131,3.430195383,1.44761703,5.007056715,2.08888349,1.65E-05,1.83E-31,3.93E-79,1.63E-148,1.30E-239,0,0,0,0,0,0,0,0,0,0,0,2.266920431,3.757149747,1.846486224,8.66052552,1.257936613,1.663275555,1.674339541,3.953586551,4.469001435,0.537360689,0.81283429,0.371979623,1.77342913,0.404836972,3.20E-06,3.55E-32,7.62E-80,3.15E-149,2.52E-240,0,0,0,0,0,0,0,0,0,0,0,5.641508259,1.181860504,0.3952263,0.781524412,0.16372445,0.556261604,0.459353875,0.476172797,7.218595063,9.364250586,19.21800744,0.672286617,1.491788276,4.608146127,0.650520212,0.085204558,0.862323626,0.121732022,0.373695177,0.144098673,0.022130874,5.343870896,3.445754534,9.045042467,0.793485439,0.539924724,5.017567064,0.862548289,0.208335131,0.824112322,0.141669591,0.441594982,0.250022815,0.132311602,6.088450484,5.552928488,12.54303131,0.736168483,0.823929399,5.615831169,1.168799971,0.387551035,0.783001747,0.162962951,0.551274901,0.449665249,0.457857898,7.172182175,9.193174127,18.90915732,0.67450262,1.458798048,5.200507423,0.956613335,0.263219495,0.810004956,0.148997296,0.473811332,0.305621921,0.211207342,6.420340253,6.595548966,14.32537324,0.715007434,0.990640595,5.721923477,1.222722442,0.419255505,0.777023367,0.16604275,0.572028076,0.490270017,0.535834232,7.363901425,9.907905282,20.20505416,0.66553505,1.598132325,5.624942044,1.175383994,0.387200299,0.782597765,0.163531087,0.553225108,0.455721533,0.457029546,7.187526337,9.244555122,18.9920434,0.673896647,1.465976187 +UMLRON0220,L,2-Methyl-1-Hexene,CCCCC(=C)C,22468,,"Sandia, UML",[1],C7H14,PubChem,,90.7,0,0.202,0.040804,31.7974,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1637.551784,758.929586,162.729504,12.192768,0,0,3885.475125,5223.921076,7758.63172,8463.052758,6034.399303,2421.799685,373.0049332,0,0,167.819552,174.20624,341.883496,485.318816,499.74356,346.633344,80.621568,0,0,29.42500648,40.12790896,63.51436973,74.85198059,60.78223392,29.3645722,5.335354858,0,0,3973.037281,3464.315612,7404.551417,11086.11766,12053.2006,9112.84921,2219.011824,0,0,36.55555556,44.52777778,74.83333333,102.9166667,100.3333333,58,12,0,0,48.76541633,56.15943233,37.32917321,23.73263455,10.54068869,3.190774588,1.016064,0,0,161.8947969,217.6633782,161.6381608,122.6529385,83.81110144,47.48626834,31.08374443,0,0,6.992481333,7.258593333,7.122572833,7.033606029,6.940882778,6.796732235,6.718464,0,0,1.226041937,1.671996207,1.323216036,1.084811313,0.844197693,0.575775925,0.444612905,0,0,165.54322,144.3464838,154.2614879,160.6683719,167.4055639,178.6833178,184.917652,0,0,1.523148148,1.855324074,1.559027778,1.491545894,1.393518519,1.137254902,1,0,0,0.032203389,-0.00310484,-0.004656838,-0.008608007,-0.018786557,0.011712848,0.0073417,0,0,645.6853813,6.61E-13,-80.71067267,-282.4873543,-403.5533633,282.4873543,161.4213453,0,0,1200.679538,0,-150.0849423,-525.297298,-750.4247115,525.297298,300.1698846,0,0,0.126485333,2.94E-15,-0.015810667,-0.055337333,-0.079053333,0.055337333,0.031621333,0,0,5.367596186,1.23E-14,-0.670949523,-2.348323331,-3.354747616,2.348323331,1.341899046,0,0,29.15686767,-1.14E-13,-3.644608459,-12.75612961,-18.22304229,12.75612961,7.289216918,0,0,2.314814815,-0.861111111,-0.018518519,0.293981481,-1.592592593,0.56712963,0.453703704,0,0,0.001341808,-1.29E-04,-9.70E-05,-1.25E-04,-2.61E-04,2.30E-04,6.12E-04,0,0,26.90355756,2.75E-14,-1.681472347,-4.094019628,-5.604907824,5.538967732,13.45177878,0,0,50.0283141,0,-3.126769631,-7.613004319,-10.42256544,10.29994702,25.01415705,0,0,0.005270222,1.22E-16,-3.29E-04,-8.02E-04,-0.001097963,0.001085046,0.002635111,0,0,0.223649841,5.11E-16,-0.013978115,-0.034033671,-0.046593717,0.046045556,0.111824921,0,0,1.214869486,-4.74E-15,-0.075929343,-0.184871444,-0.25309781,0.250120188,0.607434743,0,0,0.096450617,-0.03587963,-3.86E-04,0.004260601,-0.022119342,0.011120189,0.037808642,0,0,-0.096413462,-0.072303542,-0.092974359,-0.194457342,0.171159879,0.455958218,0,0,1.02E-15,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,0,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,2.32E-14,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,2.29E-15,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,-3.90E-15,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,-0.372,-0.004,0.044173913,-0.229333333,0.115294118,0.392,0,0,1.53434748,1.171936794,1.124488657,1.134752217,0.462469473,0.00373952,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.8975,0.8625,0.944,1.341666667,0.535764706,0,0,0,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,36.07402827,17.779571,24.920579,35.98375049,4.497968812,17.77957107,-0.180555556,0.008520244,0.001065031,-3.812248206,54.49313446,6.811641808,3.198459776,0,11.89,12.11011416,-0.161991078,0.059143413,6.149298971,8.44548837,8,24,24,24,8,0,0,0,0,0,17.491312,3.662568552,2.973800316,2.902915108,2.396031084,1.985393484,1.294917089,1.278176966,0.792390288,2.011212266,1.54022329,1.504387675,1.214685823,0.944510801,0.575155562,0.537874807,0.286758099,3.685758973,3.012007932,2.943626107,2.45799801,2.0604522,1.398197764,1.3877502,0.927978128,1.959396753,1.458846327,1.418464269,1.108835618,0.824247442,0.424099041,0.391206314,0.121362333,3.788142724,3.181205256,3.123867309,2.720080337,2.373479569,1.830041584,1.818711967,1.453306025,1.808680643,1.215027091,1.15985455,0.770046168,0.432297313,0.089676213,0.104383501,0.454358695,3.702862323,3.040251952,2.973724661,2.503161463,2.114921857,1.472638375,1.466485782,1.023904459,1.926561094,1.406557435,1.363143968,1.039081412,0.744462569,0.322298474,0.292586285,0.00904167,3.838313253,3.263640204,3.211539392,2.840509364,2.514780484,2.02143336,2.002311217,1.672222781,1.762127238,1.138255146,1.078139684,0.655480765,0.297024546,0.275653238,0.282281325,0.669501345,3.697560489,3.111926141,3.078965348,2.635037069,2.24090125,1.596068139,1.585467024,1.175105639,1.916863436,1.31336699,1.253825865,0.870102584,0.587742437,0.156504632,0.140887544,0.170893966,0,0,0,0,0,2,4,2,0,0,0,0,0.083333333,0.166666667,0,0,0,0.083333333,0.166666667,0.471404521,0,0.166666667,0,0.471404521,0,0.166666667,0,1.138071187,1.040440115,1.138071187,1.138071187,1.040440115,1.138071187,5.983127663,3.804530453,3.239024819,2.540336414,1.501661279,1.024377395,0.333333333,0.083333333,0.747890958,0.475566307,0.323902482,0.230939674,0.150166128,0.102437739,0.083333333,0.083333333,5.983127663,3.804530453,3.239024819,2.540336414,1.501661279,1.024377395,0.333333333,0.083333333,0.747890958,0.475566307,0.323902482,0.230939674,0.150166128,0.102437739,0.083333333,0.083333333,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,31.15378298,42.72358734,62.30756596,7.788445745,31.15378298,3.33E-16,4.16E-17,-28.51055062,41.24325189,5.155406487,2.975590007,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.757592593,0,5.90212963,0,0,0,2.006944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.378796296,0,1.47337963,0,0,0,1.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.378796296,0,1.477685185,0,0,0,1.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.378796296,0.2,1.003472222,5.75305787,0.329861111,0.378796296,1.515185185,0.329861111,0.378796296,1.515185185,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.47399,1.05925,8.47399,0,0,3.80452,0.47556,3.80452,0,0,0.10948,0.01369,0.19548,0.02444,0.25,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.522055209,2.688721876,2.284159128,2.284159128,22.03910002,34.03910002,60.52932501,64.52932501,54.81981907,54.81981907,0.200284263,0.309336409,0.550071066,0.586421781,0.498184909,0.498184909,3.666666667,3.166666667,2.062907292,1.896240625,2.300803373,2.300803373,0.200284263,0.309336409,0.550071066,0.586421781,0.498184909,0.498184909,6.73287657,12.73287657,15.67730206,14.01324374,13.60551527,13.60551527,31.59900002,23.74937501,22.16391042,24.55388542,25.09322045,25.09322045,6.125,2.52,1.487603306,0,0,0,2.34,1.1272,0.333333333,2.746356192,2.828427125,0,3.965406457,4.298279727,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,11,10,10,4,1,0,0,0,62,2.197224577,2.397895273,2.48490665,2.397895273,2.397895273,1.609437912,0.693147181,0,0,0,4.143134726,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,1.5,1.111111111,0.375,0.222222222,0,0,0,0,0,0,0.1875,0.111111111,0.046875,0.111111111,0,0,0,0,0,0,0.456597222,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,0,134.567877,4,3.610917913,4.369447852,5.153291594,5.932245187,6.717804695,7.501634458,8.287276756,9.072341874,9.857914707,76.50287504,2.833213344,0,4.043051268,0,5.476463552,0,7.00033446,0,8.555836815,8.796490207,112.1252005,4.671883355,15.53340973,1.941676217,0,0,0,60,8,4.43,36,1.224166127,2.094734878,2.813258485,3.478295136,4.058328429,4.653242784,0,0,0,0,78.54273178,86.40971975,71.40249227,38.36442902,13.27344884,4.727992477,0,0,0,0,289.3400736,361.0360131,361.1053693,299.1500142,195.1604006,144.6402095,0,0,0,0,8.917064339,14.96667722,19.8350544,24.17091153,27.59504103,31.26264413,0,0,0,0,2.17096299,2.90569308,3.158377613,2.991387022,2.356243506,2.068891791,0,0,0,0,174.752874,319.833565,448.4042663,580.0735826,724.226083,860.46673,0,0,0,0,2.318653618,3.343180647,4.268691588,4.893029907,4.639201405,4.653242784,0,0,0,0,0.449298446,0.609701421,0.672642215,0.651088863,0.529090755,0.476492061,0,0,0,0,309.1777466,127.062216,7.942323499,81.13752077,-33.3449393,-4.228018658,228.0402258,160.4071553,12.17034216,0.792123118,0.325537397,0.020348483,0.207876882,-0.085430784,-0.010832317,120.6767948,49.59432283,3.10001012,31.66921311,-13.0150389,-1.650260233,0.072690831,0.151075692,1.278415714,1.140270424,390.3152674,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,966.0575165,31.0814658,9.885553587,1.427238702,1.212074076,326.335643,224.3218368,175.4436021,1.454765384,1.860060094,1.278597989,3.622823825,3.779648656,5.904977379,0.562308541,5.121077983,6.009330933,10.72828859,10.22126099,16.12818003,11.38979182,12.02822871,8.943262443,5.188149986,0.350713892,0.405380356,4.20E-16,8.41E-53,3.25E-111,2.42E-191,3.47E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.379753701,5.574159459,0.80046825,4.392667528,0.901739768,2.372388959,0.945926777,0.274345839,0.114842554,0.002470107,0.002855127,2.96E-18,5.92E-55,2.29E-113,1.70E-193,2.44E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.257845635,5.603239223,2.601308757,4.903829959,3.186709509,3.988022061,1.986790789,1.199403691,0.581953811,0.025740415,0.029752625,3.09E-17,6.17E-54,2.38E-112,1.77E-192,2.54E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.799079867,5.96155318,10.04069084,9.624380346,14.90485289,10.75815142,10.91773323,8.113818138,4.676463795,0.312479763,0.361186599,3.75E-16,7.49E-53,2.89E-111,2.15E-191,3.09E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.887265995,5.640941991,3.904526282,5.456210726,4.999656519,5.16391398,3.063931669,2.085162435,1.071398274,0.055911622,0.064626676,6.70E-17,1.34E-53,5.17E-112,3.85E-192,5.53E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.349327782,6.210229773,13.36478739,12.70380958,20.98821755,13.81885341,16.63044818,12.35351757,7.311029795,0.51148325,0.591209151,6.13E-16,1.23E-52,4.73E-111,3.52E-191,5.06E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.229683526,5.311696162,6.495073182,6.808552652,8.462378519,8.079323976,6.213556559,4.427633726,2.445582444,0.139896954,0.161702968,1.68E-16,3.36E-53,1.29E-111,9.63E-192,1.38E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.323279384,1.833960952,0.791270871,0.469490577,0.370608629,0.491363593,0.555762583,0.463984781,4.948511208,7.550306856,15.8702679,0.260148809,1.511110957,1.680597231,1.237615103,0.329956144,0.517398418,0.381019369,0.258923928,0.257376036,0.081347785,3.248168479,3.042814606,6.977269599,0.347626679,0.59764775,1.935628075,1.47436982,0.513491525,0.493343518,0.375780246,0.342366011,0.362637805,0.196555342,3.92348942,4.604836635,9.993744402,0.303685647,0.901559158,2.307347823,1.819187927,0.779879762,0.47027159,0.370777388,0.484712876,0.54704283,0.450849731,4.906415513,7.415701024,15.5956613,0.261573466,1.482605437,2.049405783,1.579942331,0.595159645,0.485122978,0.37399442,0.383324215,0.415193531,0.263656435,4.224507759,5.397984485,11.54958522,0.288676097,1.062174182,2.373162602,1.880214149,0.82692484,0.46713026,0.370098923,0.512480101,0.583497544,0.506281598,5.080301591,7.97927679,16.74936159,0.255843775,1.602259242,2.314639418,1.823964767,0.78163811,0.470431999,0.37070629,0.487803541,0.549876275,0.452606143,4.920242295,7.456711499,15.67688978,0.261707433,1.490285958 +UMLRON0221,L,"trans-1,2-dimethylcyclohexane",C[C@@H]1CCCC[C@H]1C,23313,Sandia values from independent api report ,Sandia,,C8H16,PubChem,,80.9,0,-0.7622,0.58094884,37.7868,30.93586,0,0,30,10,20,0,10,0,0,0,0,0,0,0,0,0,1462.96249,1684.78297,2179.217388,2152.131251,1593.278239,999.115156,408.844969,82.888848,6.096384,4856.843906,6529.901345,9585.725944,10701.77686,9308.948337,6680.754958,3660.359923,1257.525459,186.5024666,209.77444,217.7578,427.342512,611.112332,628.378684,559.858,371.2033,183.394368,40.310784,36.7812581,50.1598862,78.88975002,93.9014626,86.52708433,66.12766723,39.06308065,15.34920546,2.667677429,4966.296601,4330.394515,9252.955815,14049.49488,14804.94592,13760.1884,9323.322931,4833.801083,1109.505912,45.05555556,55.11111111,93,125,128,107.4166667,68.5,30.5,6,48.76541633,56.15943233,36.3202898,24.73714082,17.70309154,12.33475501,7.57120313,3.069957333,1.016064,161.8947969,217.6633782,159.7620991,123.0089294,103.4327593,82.47845628,67.78444303,46.57501701,31.08374443,6.992481333,7.258593333,7.1223752,7.024279678,6.981985378,6.91182716,6.874135185,6.792384,6.718464,1.226041937,1.671996207,1.314829167,1.079327156,0.961412048,0.816390953,0.723390382,0.568489091,0.444612905,165.54322,144.3464838,154.2159303,161.4884469,164.4993991,169.8788691,172.6541284,179.0296697,184.917652,1.501851852,1.837037037,1.55,1.436781609,1.422222222,1.326131687,1.268518519,1.12962963,1,0.04063883,-0.003335737,-0.010640782,-0.003995146,-0.011956047,6.68E-04,-0.001353617,0.006663365,0.003631031,807.1067267,-5.90E-13,-161.4213453,-161.4213453,-322.8426907,6.86E-13,7.43E-13,161.4213453,80.71067267,1500.849423,5.26E-13,-300.1698846,-300.1698846,-600.3397692,-7.74E-13,-3.20E-13,300.1698846,150.0849423,0.158106667,3.66E-15,-0.031621333,-0.031621333,-0.063242667,-2.57E-15,-2.68E-15,0.031621333,0.015810667,6.709495232,1.85E-14,-1.341899046,-1.341899046,-2.683798093,-1.33E-14,-1.38E-14,1.341899046,0.670949523,36.44608459,-3.02E-13,-7.289216918,-7.289216918,-14.57843384,1.93E-13,2.22E-13,7.289216918,3.644608459,2.651851852,-0.766666667,-0.525925926,0.483703704,-0.796296296,-0.019259259,-0.217777778,0.302222222,0.214074074,0.001354628,-1.11E-04,-1.77E-04,-4.59E-05,-1.33E-04,8.24E-06,-2.51E-05,2.47E-04,6.05E-04,26.90355756,-1.97E-14,-2.690355756,-1.855417762,-3.587141007,8.47E-15,1.38E-14,5.978568346,13.45177878,50.0283141,1.75E-14,-5.00283141,-3.450228558,-6.67044188,-9.56E-15,-5.92E-15,11.11740313,25.01415705,0.005270222,1.22E-16,-5.27E-04,-3.63E-04,-7.03E-04,-3.17E-17,-4.96E-17,0.00117116,0.002635111,0.223649841,6.16E-16,-0.022364984,-0.015424127,-0.029819979,-1.64E-16,-2.55E-16,0.049699965,0.111824921,1.214869486,-1.01E-14,-0.121486949,-0.083784103,-0.161982598,2.39E-15,4.11E-15,0.269970997,0.607434743,0.088395062,-0.025555556,-0.008765432,0.005559813,-0.008847737,-2.38E-04,-0.004032922,0.011193416,0.035679012,-0.082082512,-0.130918905,-0.033899516,-0.098067515,0.00608357,-0.018504697,0.182183854,0.446744056,-7.31E-16,-0.1,-0.068965517,-0.133333333,3.15E-16,5.11E-16,0.222222222,0.5,3.50E-16,-0.1,-0.068965517,-0.133333333,-1.91E-16,-1.18E-16,0.222222222,0.5,2.32E-14,-0.1,-0.068965517,-0.133333333,-6.02E-15,-9.42E-15,0.222222222,0.5,2.76E-15,-0.1,-0.068965517,-0.133333333,-7.35E-16,-1.14E-15,0.222222222,0.5,-8.29E-15,-0.1,-0.068965517,-0.133333333,1.97E-15,3.38E-15,0.222222222,0.5,-0.289106145,-0.099162011,0.062897322,-0.10009311,-0.002689841,-0.045623836,0.126629423,0.403631285,1.534396202,1.249070215,1.020572847,1.083881514,0.87057788,0.832974156,0.450424738,0.004307745,1.45,1.305,1.1,1.0875,0.832407407,0.765277778,0.402777778,0,1.45,1.305,1.1,1.0875,0.832407407,0.765277778,0.402777778,0,1.45,1.305,1.1,1.0875,0.832407407,0.765277778,0.402777778,0,1.45,1.305,1.1,1.0875,0.832407407,0.765277778,0.402777778,0,1.45,1.305,1.1,1.0875,0.832407407,0.765277778,0.402777778,0,1.822625698,1.002444134,0.804818436,1.171205773,0.960066211,0.961941341,0.556913408,0,49.92055373,24.96027687,37.10029833,49.92055373,4.992055373,24.96027687,-3.55E-15,0.054700231,0.005470023,-2.905887347,107.3580669,10.73580669,4.676169667,49.92055373,24.96027687,37.10029833,49.92055373,4.992055373,24.96027687,-3.55E-15,0.054700231,0.005470023,-2.905887347,107.3580669,10.73580669,4.676169667,49.92055373,24.96027687,37.10029833,49.92055373,4.992055373,24.96027687,-3.55E-15,0.054700231,0.005470023,-2.905887347,107.3580669,10.73580669,4.676169667,49.92055373,24.96027687,37.10029833,49.92055373,4.992055373,24.96027687,-3.55E-15,0.054700231,0.005470023,-2.905887347,107.3580669,10.73580669,4.676169667,49.92055373,24.96027687,37.10029833,49.92055373,4.992055373,24.96027687,-3.55E-15,0.054700231,0.005470023,-2.905887347,107.3580669,10.73580669,4.676169667,49.92055373,24.96027687,37.10029833,49.92055373,4.992055373,24.96027687,-3.55E-15,0.054700231,0.005470023,-2.905887347,107.3580669,10.73580669,4.676169667,58.33427294,28.97977142,43.88757157,58.22427294,5.822427294,28.97977142,-0.183333333,0.05006178,0.005006178,-2.99449743,106.0426993,10.60426993,4.663841837,0,11.9,12.10017173,-0.1511535,0.0490384,5.619713602,9.38313147,10,30,30,30,10,0,0,0,0,0,21.86414,3.675782856,3.290154022,2.77951548,2.750129472,2.530004352,1.836844638,1.456797487,1.414748326,2.019046791,1.766050089,1.450151557,1.372874417,1.256881554,0.88450462,0.666206401,0.610255,3.698586585,3.322304043,2.825567761,2.792995694,2.584106562,1.920267437,1.556142907,1.511736114,1.967959892,1.697034937,1.356335904,1.285229005,1.160772364,0.755485268,0.522081792,0.466308144,3.799302148,3.463974814,3.02894669,2.981537655,2.81398683,2.265820215,1.9628467,1.911255966,1.819514698,1.492252159,1.069350581,1.018928274,0.858097279,0.330262187,0.037619229,0.014886752,3.715406551,3.346016143,2.859605698,2.824624264,2.623581754,1.980686444,1.62787375,1.581915955,1.935600271,1.652901182,1.295508893,1.228596505,1.097869995,0.669519531,0.425347018,0.36988335,3.848684125,3.532921435,3.127206552,3.072480534,2.920504722,2.420356431,2.141548494,2.087963556,1.773703616,1.428067448,0.977485401,0.933903671,0.757113949,0.181813766,0.135164289,0.185372064,3.705051459,3.41382319,3.018439281,2.858333323,2.726870707,2.137039501,1.752482097,1.696251206,1.928597125,1.570356626,1.156737416,1.141444113,0.949076562,0.484922544,0.262588642,0.213864754,0,0,0,0,0,2,6,2,0,0,0,0,0.102062073,0.058925565,0,0,0,0.102062073,0.058925565,0.402368927,0,0.11785113,0,0.402368927,0,0.11785113,0,1.089255651,1.339255651,1.373773448,1.089255651,1.339255651,1.373773448,7.397341225,4.842535255,3.783622271,3.098518319,2.036535719,1.41711029,0.569035594,0.319035594,0.739734123,0.484253526,0.315301856,0.221322737,0.145466837,0.101222164,0.071129449,0.053172599,7.397341225,4.842535255,3.783622271,3.098518319,2.036535719,1.41711029,0.569035594,0.319035594,0.739734123,0.484253526,0.315301856,0.221322737,0.145466837,0.101222164,0.071129449,0.053172599,15.41827804,28.87836854,27.25490196,27.6,17.98554491,230.2825509,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.6128,46.03,41.88157561,60.63834098,83.76315123,8.376315123,41.88157561,0.23147766,0.023147766,-1.463271913,38.30092131,3.830092131,3.645473951,90,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,2,0,6,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,4.731407785,0,8.880582955,0,0,0,2.054675926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.3187226,0,1.37962963,0,0,0,0.986388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.412685185,0,1.508935185,0,0,0,1.068287037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.66666667,1.566666667,0.2,2.412685185,0.2,0.986388889,7.197646416,0.346944444,0.412685185,1.498556311,0.346944444,0.412685185,1.498556311,5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.2,0.2,0,5,0.5,5,0.5,0,0,-5,-0.5,0,0,11.56742,1.15674,11.56742,0,0,4.84252,0.48425,4.84252,0,0,0.07148,0.00715,0.15748,0.01575,0.2,10,0,0,0,0,0,0,1,0.918295834,1.375279366,2.555913095,3.231401845,3.20151528,3.00291008,27.54887502,41.25838097,76.67739286,96.94205536,96.04545841,90.08730239,0.187144143,0.280275123,0.52088243,0.658543691,0.652452957,0.611978201,3.988594762,3.53161123,2.3509775,1.67548875,1.705375315,1.903980516,0.187144143,0.280275123,0.52088243,0.658543691,0.652452957,0.611978201,6.73287657,12.21667895,16.8909882,18.02797915,17.26504706,15.28607796,39.49875002,30.76840725,26.00556217,23.1132877,24.19101549,28.11547299,8.1,4,2.285714286,4,0,4,2.56,1.409,0.333333333,3.422158352,2.149139864,0,6.945629182,6.085553735,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,4.664,12,14,14,14,8,6,2,0,0,90,2.397895273,2.564949357,2.708050201,2.708050201,2.708050201,2.197224577,1.945910149,1.098612289,0,0,4.510859507,1,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,1,3,6,1,1.5,1.111111111,0.4375,0.191111111,0.152777778,0.04,0,0,0,0,0.15,0.092592593,0.039772727,0.027301587,0.038194444,0.04,0,0,0,0,0.387861352,24.96027687,37.10029833,49.92055373,4.992055373,24.96027687,0.054700231,0.005470023,-2.905887347,107.3580669,10.73580669,4.676169667,0,169.1598463,4.321928095,3.80666249,4.574710979,5.361292166,6.150602768,6.944087208,7.737616283,8.532475815,9.326967184,10.12202049,82.55643538,3.044522438,0,4.234106505,0,5.65248918,0,7.158513997,0,8.703008637,8.947285869,140.1565006,4.671883355,19.52724104,1.952724104,0,0,0,121,11,5.568,44,1.229266235,2.107949862,2.836330888,3.537297212,4.138715799,5.041096494,5.889578264,7.033430929,0,0,79.27849437,85.32486944,76.13102954,69.87134368,58.79428274,41.83772156,19.23381956,7.146415963,0,0,291.5000555,360.5345813,368.4690493,385.2604842,370.7977458,358.3113208,283.0040827,218.6253695,0,0,8.955521785,15.06236452,19.97774228,24.73597706,28.70235034,34.71548505,40.04577621,47.25385249,0,0,2.185186681,2.912779309,3.188507995,3.515112684,3.580828145,3.766664447,3.417705679,3.127154156,0,0,175.3995389,321.6485948,453.9607136,579.1844578,695.7224671,865.5216921,1051.10371,1300.605533,0,0,2.30785528,3.347865806,4.162747003,5.105918633,5.67286849,6.516800371,6.731830318,7.033430929,0,0,0.452167257,0.611540702,0.678165153,0.754548704,0.776416041,0.827548519,0.76747342,0.720223327,0,0,372.2034621,192.0953332,9.4908368,88.65374846,-45.75446789,-4.796608445,283.5497137,237.8498011,14.28744524,0.807632936,0.416821803,0.020593877,0.192367064,-0.099281224,-0.010408014,171.5326493,88.52851945,4.373920574,40.85671923,-21.08627644,-2.210551588,0.058360193,0.125807541,0.618411518,1.091987796,460.8572106,0,1,0,682.8851744,26.13207176,8.806078679,876.625896,29.60786882,9.57057649,1235.490862,35.14954995,10.73033249,1.610599344,1.610599344,627.0753754,598.8775854,209.8289787,1.047084397,2.988507018,2.854122386,4.384302263,4.433660147,7.285318514,0.643183797,5.578631074,8.804831222,8.974288042,21.13899883,18.88195943,16.39526777,15.52852957,14.83501173,11.32943303,9.129918947,7.38293459,2.398904235,3.240636014,0.009974898,6.57E-23,8.36E-65,2.05E-128,9.70E-214,8.85E-321,0,0,0,0,0,0,0,0,0,0,0,0.468743771,7.477437895,0.659685823,7.891974928,1.379892581,2.077205848,1.879322432,2.49640883,0.759891442,0.467817924,0.662249938,0.14315612,0.022825347,7.03E-05,4.63E-25,5.88E-67,1.44E-130,6.83E-216,6.4E-323,0,0,0,0,0,0,0,0,0,0,0,1.511780701,7.566137875,2.166721907,9.385803473,3.730158039,4.14461225,3.271215341,4.406391158,2.239199109,1.70632321,1.375889114,0.50045349,0.237847643,7.32E-04,4.82E-24,6.13E-66,1.50E-129,7.12E-215,6.47E-322,0,0,0,0,0,0,0,0,0,0,0,5.265807432,8.65909539,8.398004754,19.89990695,17.37809343,15.21617944,14.19971266,13.86435247,10.44246234,8.412271368,6.738651206,2.224318284,2.887349228,0.008887455,5.85E-23,7.44E-65,1.83E-128,8.64E-214,7.885E-321,0,0,0,0,0,0,0,0,0,0,0,2.227792857,7.68114122,3.257714847,10.77059489,5.706461685,5.817753054,4.640673402,5.898236991,3.456057517,2.713771681,2.061212006,0.77635398,0.516633708,0.001590221,1.05E-23,1.33E-65,3.27E-129,1.55E-214,1.413E-321,0,0,0,0,0,0,0,0,0,0,0,6.736876218,9.41763053,11.18438491,26.21289484,24.94105831,21.10442036,21.00855723,18.67338173,14.88588714,11.99977808,10.03280725,3.086749842,4.726158883,0.014547452,9.58E-23,1.22E-64,2.99E-128,1.41E-213,1.2905E-320,0,0,0,0,0,0,0,0,0,0,0,3.712477098,7.465912606,5.086548587,14.13008891,10.0343726,9.633245049,8.090765338,9.135387837,6.517349071,5.003135252,3.949216837,1.469040943,1.320320246,0.004064015,2.68E-23,3.40E-65,8.35E-129,3.95E-214,3.607E-321,0,0,0,0,0,0,0,0,0,0,0,4.417114647,1.40554636,1.173835168,0.631332389,0.200892893,0.542769682,0.566214515,0.471856819,6.996496175,13.04330368,27.32750785,0.446998584,1.580841016,3.639196386,0.849884715,0.647876195,0.70843423,0.165445159,0.368502143,0.210422309,0.142490985,5.136957295,6.001266163,13.14203805,0.562651345,0.721415436,3.948142912,1.070017985,0.857344882,0.671966476,0.182115043,0.433684651,0.331602296,0.251062743,5.87550578,8.526878488,18.02430967,0.507949714,1.01634969,4.397853915,1.391737777,1.160867539,0.632742927,0.200236809,0.538048779,0.555392403,0.461496954,6.950459232,12.84160849,26.89734258,0.44911439,1.554938136,4.085860729,1.168390667,0.950455842,0.658509833,0.188307139,0.464450445,0.394216792,0.309016318,6.204707238,9.767815475,20.50988631,0.48776475,1.167683554,4.477415357,1.448791922,1.214418275,0.627034049,0.202894258,0.557683056,0.600747985,0.504992593,7.140625554,13.68373762,28.7021041,0.440551074,1.663423634,4.412119375,1.396242131,1.164401876,0.632764821,0.200242293,0.541523057,0.557642491,0.464279557,6.972763382,12.92365399,27.0695835,0.449147232,1.563445106 +UMLRON0222,L,sec-butylcyclohexane,CCC(C)C1CCCCC1,23468,,UML,[1],C10H20,PubChem,,51,0,1.8283,3.34268089,38.0604,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1410.479624,1371.115039,985.820644,555.141218,166.6224,18.289152,0,3885.475125,4800.404174,6118.039963,6602.817631,6018.397964,4146.044314,2029.598029,559.5073998,0,167.819552,166.665724,296.735264,326.37958,399.014032,392.180744,226.499328,120.932352,0,29.42500648,37.33900896,50.80666687,56.26121404,56.12588892,42.74120646,22.69940272,8.003032287,0,3973.037281,3337.521256,6665.652931,7177.290897,9290.369644,9819.952592,5720.741265,3328.517736,0,42.05555556,50.52777778,71.83333333,83.5,92.16666667,78,45,18,0,48.76541633,52.3287937,33.58284819,29.80684867,17.29509902,9.739319614,5.049163636,1.016064,0,161.8947969,208.713225,145.6676182,143.5395137,105.5859292,72.73761954,61.50297059,31.08374443,0,6.992481333,7.246335826,7.065125333,7.095208261,7.000246175,6.88036393,6.863616,6.718464,0,1.226041937,1.623435172,1.209682544,1.22306987,0.984664718,0.749845727,0.687860689,0.444612905,0,165.54322,145.1096198,158.7060222,156.028063,162.9889411,172.27987,173.3557959,184.917652,0,1.752314815,2.196859903,1.71031746,1.815217391,1.616959064,1.368421053,1.363636364,1,0,0.036750756,0.003004992,-0.003733191,-0.021284503,-0.012326039,0.006927775,-0.002315935,0.011351523,0,645.6853813,-53.80711511,80.71067267,-269.0355756,-363.198027,80.71067267,-40.35533633,242.132018,0,1200.679538,-100.0566282,150.0849423,-500.283141,-675.3822403,150.0849423,-75.04247115,450.2548269,0,0.126485333,-0.010540444,0.015810667,-0.052702222,-0.071148,0.015810667,-0.007905333,0.047432,0,5.367596186,-0.447299682,0.670949523,-2.236498411,-3.019272855,0.670949523,-0.335474762,2.01284857,0,29.15686767,-2.429738973,3.644608459,-12.14869486,-16.40073807,3.644608459,-1.822304229,10.93382538,0,3.717592593,-1.203896605,0.950231481,-1.005015432,-1.940393519,0.955439815,-0.868634259,1.253472222,0,0.001531282,1.31E-04,-8.89E-05,-4.63E-04,-2.16E-04,1.22E-04,-7.02E-05,6.31E-04,0,26.90355756,-2.339439787,1.921682683,-5.848599469,-6.371895211,1.415976713,-1.22288898,13.45177878,0,50.0283141,-4.350288182,3.573451007,-10.87572046,-11.84881123,2.633069163,-2.274014277,25.01415705,0,0.005270222,-4.58E-04,3.76E-04,-0.0011457,-0.001248211,2.77E-04,-2.40E-04,0.002635111,0,0.223649841,-0.019447812,0.015974989,-0.048619531,-0.052969699,0.011771044,-0.010165902,0.111824921,0,1.214869486,-0.105640825,0.086776392,-0.264102062,-0.287732247,0.063940499,-0.05522134,0.607434743,0,0.154899691,-0.052343331,0.022624559,-0.021848162,-0.034041992,0.016762102,-0.02632225,0.069637346,0,0.085321883,-0.058046472,-0.30216951,-0.141219163,0.079371367,-0.045830795,0.411838146,0,-0.086956522,0.071428571,-0.217391304,-0.236842105,0.052631579,-0.045454545,0.5,0,-0.086956522,0.071428571,-0.217391304,-0.236842105,0.052631579,-0.045454545,0.5,0,-0.086956522,0.071428571,-0.217391304,-0.236842105,0.052631579,-0.045454545,0.5,0,-0.086956522,0.071428571,-0.217391304,-0.236842105,0.052631579,-0.045454545,0.5,0,-0.086956522,0.071428571,-0.217391304,-0.236842105,0.052631579,-0.045454545,0.5,0,-0.337917592,0.14605942,-0.14104716,-0.219767975,0.108212624,-0.169930941,0.449564134,0,1.286592788,1.333288796,1.485809652,1.009277162,0.700873637,0.741604198,0.006192132,0,1.5,1.026785714,1.359375,1.210526316,0.71875,0.784090909,0,0,1.5,1.026785714,1.359375,1.210526316,0.71875,0.784090909,0,0,1.5,1.026785714,1.359375,1.210526316,0.71875,0.784090909,0,0,1.5,1.026785714,1.359375,1.210526316,0.71875,0.784090909,0,0,1.5,1.026785714,1.359375,1.210526316,0.71875,0.784090909,0,0,1.830635118,0.701743462,1.221668742,1.252736449,0.696467195,1.124872637,0,0,32.71500462,16.35750231,24.32033932,32.71500462,4.089375577,16.35750255,7.11E-15,0.201008084,0.025126011,-1.283528122,27.88061685,3.485077107,2.662345369,32.71500462,16.35750231,24.32033932,32.71500462,4.089375577,16.35750255,7.11E-15,0.201008084,0.025126011,-1.283528122,27.88061685,3.485077107,2.662345369,32.71500462,16.35750231,24.32033932,32.71500462,4.089375577,16.35750255,7.11E-15,0.201008084,0.025126011,-1.283528122,27.88061685,3.485077107,2.662345369,32.71500462,16.35750231,24.32033932,32.71500462,4.089375577,16.35750255,7.11E-15,0.201008084,0.025126011,-1.283528122,27.88061685,3.485077107,2.662345369,32.71500462,16.35750231,24.32033932,32.71500462,4.089375577,16.35750255,7.11E-15,0.201008084,0.025126011,-1.283528122,27.88061685,3.485077107,2.662345369,32.71500462,16.35750231,24.32033932,32.71500462,4.089375577,16.35750255,7.11E-15,0.201008084,0.025126011,-1.283528122,27.88061685,3.485077107,2.662345369,38.19431594,19.03604686,29.26374565,38.10264927,4.762831159,19.03604687,-0.122222222,0.274627782,0.034328473,-1.033870894,27.14561644,3.393202055,2.640972461,0,11.89,12.11011416,-0.171487844,0.051085873,5.330870081,8.640630697,7,23,22,22,6,1,1,0,0,1,17.491312,3.622196597,3.124173529,2.666132122,2.333552793,2.230952672,1.550939358,1.204137948,0.083923071,1.921634214,1.668651626,1.405079439,1.249629723,1.133071315,0.666944597,0.183535682,0.083923071,3.639642161,3.16183671,2.71956585,2.405454588,2.300692898,1.634908331,1.301635664,0.270913902,1.87241705,1.591625864,1.305791814,1.134540686,1.018637485,0.525754363,0.089485528,0.270913902,3.720999143,3.326517984,2.950192786,2.704236987,2.592965485,1.994244749,1.668493896,0.943918427,1.738169426,1.35909127,0.995021767,0.76031856,0.648186101,0.063162405,0.269809062,0.943918427,3.65273994,3.18955506,2.758769068,2.457539916,2.351373029,1.696384808,1.370162778,0.399277246,1.841991703,1.542018636,1.240893336,1.058262671,0.942901686,0.431674001,0.023119094,0.399277246,3.7634349,3.405747053,3.058698678,2.838982085,2.725793947,2.160263363,1.813070198,1.207644823,1.699655176,1.285003762,0.892640763,0.631337262,0.521335811,0.094788211,0.415063276,1.207644823,3.64327114,3.209316422,2.863878515,2.591598066,2.415221136,1.749718572,1.421603732,0.558139535,1.84422648,1.492898009,1.121756536,0.917179462,0.853313016,0.346861521,0.03046465,0.558139535,0,0,0,0,2,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.426776695,0,0.176776695,0,1.207106781,0.666666667,0.666666667,0.905330086,0.5,0.5,6.568914101,3.680739213,3.009975955,1.882088123,0.788675135,0.333333333,0,0,0.821114263,0.525819888,0.376246994,0.268869732,0.197168784,0.166666667,0,0,6.414213562,3.310660172,2.530330086,1.478553391,0.625,0.25,0,0,0.801776695,0.472951453,0.316291261,0.211221913,0.15625,0.125,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,54,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,4,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.027175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.759305556,1.161111111,0,0,0,0,0,0,0,0,0,0,8.765138889,0,2.541018519,0,0,0,0,0,0,3.027175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.478564815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.225625,0.290277778,0,0,0,0,0,0,0,0,0,0,2.17162037,0,1.266203704,0,0,0,0,0,0,1.478564815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.548611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290277778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.214722222,0,1.274814815,0,0,0,0,0,0,1.548611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,1.791666667,0.290277778,2.214722222,0.026041667,1.266203704,4.58447912,0.233796296,0.214722222,1.530277778,0.233796296,0.214722222,1.530277778,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.5,0.25,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,8.00274,1.00034,9.01229,1.00955,0.12619,3.06498,0.38312,3.68073,0.61575,0.07697,0.23327,0.02916,0.23327,0.02916,0,7,0,0,0,0,0,0,0.75,0.918295834,1.636842188,2.833333333,2.948120313,3.29248125,2.910401042,22.03910002,39.28421252,68,70.7548875,79.01955001,69.84962501,0.200284263,0.357002307,0.617962161,0.642997693,0.718104292,0.634770959,3.666666667,2.948120313,1.751629167,1.636842188,1.29248125,1.674561459,0.200284263,0.357002307,0.617962161,0.642997693,0.718104292,0.634770959,6.73287657,15.35543282,17.47730113,18.85474488,19.20180045,14.61683795,31.59900002,20.01328438,19.57694219,17.55814531,16.90739375,14.6149125,8,3.9375,3.673469388,8,2,6,2.34,1.1928,1.72030651,3.150627212,4.521745165,0,1,2.149139864,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.099,0.064,0.179,0.192,3.66,8,7,4,2,0,0,0,0,0,36,2.197224577,2.564949357,2.564949357,2.079441542,1.609437912,0,0,0,0,0,3.951243719,1.416666667,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,3,5,0.666666667,2,1.111111111,0.375,0.16,0,0,0,0,0,0,0.285714286,0.138888889,0.053571429,0.04,0,0,0,0,0,0,0.518174603,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,0,144.287877,4,3.433987204,4.110873864,4.844187086,5.556828062,6.289715571,7.01301579,7.744569809,8.471568013,9.202207389,71.66695279,2.708050201,0,3.850147602,0,5.176149733,0,6.577861358,0,8.011355109,8.288283045,112.1252005,4.671883355,14.49604135,1.812005168,0,0,0,70,7,3.467,30,1.216880526,2.099221099,3.016942601,3.77094627,4.547247766,5.04983865,5.924816652,0,0,0,74.98105143,83.09384631,102.2254918,72.09492555,47.64949028,27.57649124,6.019992907,0,0,0,280.3885003,341.6193261,466.3493974,424.9726024,340.642127,326.2609378,184.1654866,0,0,0,8.854093482,14.91188095,21.47391942,26.48725319,31.3102652,34.73497801,39.80566739,0,0,0,2.118816907,2.757638659,3.887588408,3.898633905,3.470934858,3.598977714,2.634249943,0,0,0,174.329266,327.3699784,465.9405015,607.7453564,781.6892074,869.458757,1095.603184,0,0,0,2.764452346,3.785090335,5.659300443,6.312607347,6.317365176,7.073595156,5.924816652,0,0,0,0.43907366,0.579472001,0.820625943,0.836557921,0.759706847,0.795572373,0.606701225,0,0,0,341.2104725,147.0656186,9.044872947,60.57010271,-26.10640746,-3.548964063,280.6403698,173.1720261,12.59383701,0.849245816,0.366034666,0.022511972,0.150754184,-0.064976779,-0.00883309,137.0917399,59.08810884,3.634054255,24.33589071,-10.4890474,-1.425904823,0.071898463,0.178002302,1.275614104,0.772514665,401.7805752,0,1,0,451.4398665,21.24711431,7.671258831,611.8900136,24.73641069,8.48967611,758.8013317,27.54634879,9.121005021,1.385213481,1.340366004,569.278446,416.9994533,171.6199338,1.365177919,3.317088135,2.42978449,4.391433139,4.61482548,7.127625151,0.544505894,6.629606095,5.857911765,4.085203312,13.57580524,14.75130362,8.229551377,8.86045148,13.73871113,21.47950784,2.76134072,3.805893235,5.880961255,3.099330377,1.26E-06,9.16E-34,1.61E-82,5.57E-153,3.73E-245,0,0,0,0,0,0,0,0,0,0,0,0,0.556379092,5.827919885,0.25829782,5.429891212,2.845274841,0.420944354,3.630624941,2.482482186,1.015218547,0.041112969,0.933639776,0.463419789,0.021828838,8.89E-09,6.45E-36,1.13E-84,3.92E-155,2.63E-247,0,0,0,0,0,0,0,0,0,0,0,0,1.7960542,5.829924145,0.889525946,6.284218913,4.230984687,1.499614128,4.623110463,4.113370384,3.56780631,0.258323541,1.258098838,1.515828122,0.227473316,9.27E-08,6.72E-35,1.18E-83,4.09E-154,2.74E-246,0,0,0,0,0,0,0,0,0,0,0,0,6.25780749,5.85461897,3.797884447,12.79112352,13.65289277,7.569241543,8.513740855,12.81373947,19.65196552,2.475220883,3.537429473,5.530402412,2.761447567,1.13E-06,8.16E-34,1.43E-82,4.96E-153,3.33E-245,0,0,0,0,0,0,0,0,0,0,0,0,2.647052298,5.832522644,1.367360063,7.110726813,5.492383865,2.393070572,5.32669968,5.430895317,5.802458115,0.507804616,1.558572293,2.254137144,0.494102437,2.01E-07,1.46E-34,2.56E-83,8.88E-154,5.95E-246,0,0,0,0,0,0,0,0,0,0,0,0,8.006208983,5.871757492,5.209236927,16.80585396,19.23780078,10.88133822,10.17430403,17.43128139,28.89864082,3.956498524,4.905064102,7.200383344,4.520082073,1.84E-06,1.34E-33,2.34E-82,8.12E-153,5.44E-245,0,0,0,0,0,0,0,0,0,0,0,0,3.886387181,5.379542366,1.935056197,8.419328438,7.147959084,3.710626708,6.337072702,7.40123334,9.084997346,0.947990439,2.291114255,3.54198942,0.965502597,3.93E-07,2.85E-34,5.00E-83,1.73E-153,1.16E-245,0,0,0,0,0,0,0,0,0,0,0,0,4.778992438,2.237088207,0.399807761,0.644426153,0.301661525,0.512486878,0.489585391,0.499826857,7.415888406,13.49611112,25.18635535,0.46663923,1.501899126,3.63608646,1.446124879,0.086192249,0.703522161,0.279801075,0.296595889,0.202925796,0.023230233,5.168403588,5.696282318,11.31790501,0.555283241,0.522751919,4.089757844,1.760523612,0.210750151,0.674762666,0.290466001,0.37521426,0.301846888,0.13888423,6.061031607,8.433062953,16.01151994,0.512143998,0.815945377,4.750673772,2.217529717,0.392043525,0.645450317,0.301284687,0.506422274,0.480982564,0.480602159,7.360247014,13.26659933,24.75693089,0.468175476,1.468006997,4.292092348,1.900549573,0.266270735,0.664522432,0.294252249,0.413279874,0.352278115,0.221699146,6.458912655,9.806253591,18.43722564,0.496783649,0.987257135,4.8676572,2.298314035,0.424115513,0.64131773,0.302804712,0.531710445,0.517013027,0.562451997,7.590086748,14.22660443,26.56144312,0.461976594,1.611175468,4.759867599,2.221643547,0.392165561,0.645521602,0.301293864,0.508389573,0.482815947,0.480901411,7.373676706,13.31263737,24.83335866,0.468282403,1.47210693 +UMLRON0223,L,"2,3-Dimethyl-2-Hexene",CCCC(=C(C)C)C,23528,,"Sandia, UML",[1],C8H16,PubChem,,93.1,0,1.439,2.070721,46.0754,32.269446,0,0,32,10,22,0,10,0,0,0,0,0,0,0,0,0,1464.994618,1564.733025,2112.671244,2091.515002,1743.724424,1229.144957,526.953337,112.269024,9.144576,4919.011395,6335.857676,9083.808712,10792.06421,10177.23602,7938.511919,4972.743171,1900.685731,279.7536999,223.211368,224.452548,424.947504,573.17284,749.73392,623.940404,495.728164,304.725888,60.466176,37.67048391,49.59807482,74.87616159,94.24094931,96.20547231,77.15599031,53.08649559,24.02116915,4.001516144,5336.131905,4509.845254,9443.726441,12743.75143,18107.13546,15143.75824,12365.68473,8130.523715,1664.258868,52.09027778,61.75,95.16666667,134.7083333,155.8333333,130.25,100,51,9,45.78108181,50.47525887,35.2111874,25.82117286,16.14559652,13.65716619,7.318796347,2.4948672,1.016064,153.7191061,204.3825057,151.3968119,133.2353607,94.23366687,88.20568799,69.06587737,42.23746069,31.08374443,6.97535525,7.240404774,7.0824584,7.076207901,6.941980741,6.932671156,6.885113389,6.7716864,6.718464,1.177202622,1.599937897,1.247936026,1.16346851,0.89079141,0.857288781,0.737312439,0.533803759,0.444612905,166.754122,145.4788792,157.3954407,157.3302646,167.6586617,168.2639804,171.7456212,180.6783048,184.917652,1.627821181,1.991935484,1.586111111,1.663065844,1.442901235,1.447222222,1.388888889,1.133333333,1,0.04338746,-0.009756273,0.007490395,-0.025600236,0.00299205,-0.004328236,-0.010178748,0.01293045,0.004756868,832.3288119,-57.22260582,119.1743526,-555.6740647,-24.59153308,-146.6033703,-162.6824496,305.029593,106.405672,1547.750967,-106.407879,221.6097976,-1033.299652,-45.72900585,-272.6152272,-302.5149618,567.2155534,197.8658907,0.1630475,-0.011209516,0.023345438,-0.108852734,-0.004817313,-0.028718594,-0.031868375,0.059753203,0.020844141,6.919166958,-0.475692728,0.990698905,-4.619330214,-0.204429933,-1.218716907,-1.352382633,2.535717436,0.884552594,37.58502473,-2.58397045,5.381492178,-25.09227503,-1.11046664,-6.620089584,-7.346163925,13.77405736,4.80490373,4.355685764,-2.336107042,1.465901693,-1.558532715,-0.00382487,0.385701497,-1.448730469,0.87677002,0.440979004,0.001355858,-3.15E-04,1.25E-04,-3.16E-04,2.77E-05,-4.81E-05,-1.41E-04,2.87E-04,5.29E-04,26.01027537,-1.84589051,1.98623921,-6.860173639,-0.22769938,-1.628926336,-2.259478467,6.7784354,11.82285244,48.36721773,-3.432512226,3.693496627,-12.75678582,-0.423416721,-3.02905808,-4.201596692,12.60479008,21.98509897,0.005095234,-3.62E-04,3.89E-04,-0.001343861,-4.46E-05,-3.19E-04,-4.43E-04,0.001327849,0.002316016,0.216223967,-0.015344927,0.016511648,-0.057028768,-0.00189287,-0.013541299,-0.018783092,0.056349276,0.098283622,1.174532023,-0.083353885,0.089691536,-0.309781173,-0.010282099,-0.073556551,-0.102030055,0.306090164,0.533878192,0.13611518,-0.075358292,0.024431695,-0.019241145,-3.54E-05,0.004285572,-0.020121257,0.019483778,0.048997667,-0.232117568,0.092074474,-0.233101305,0.020432939,-0.035469431,-0.104267173,0.211927293,0.389820166,-0.070967742,0.076363636,-0.263748597,-0.008754209,-0.062626263,-0.086868687,0.260606061,0.454545455,-0.070967742,0.076363636,-0.263748597,-0.008754209,-0.062626263,-0.086868687,0.260606061,0.454545455,-0.070967742,0.076363636,-0.263748597,-0.008754209,-0.062626263,-0.086868687,0.260606061,0.454545455,-0.070967742,0.076363636,-0.263748597,-0.008754209,-0.062626263,-0.086868687,0.260606061,0.454545455,-0.070967742,0.076363636,-0.263748597,-0.008754209,-0.062626263,-0.086868687,0.260606061,0.454545455,-0.553636204,0.179492801,-0.141359286,-2.60E-04,0.031484895,-0.14782522,0.143141846,0.359972099,1.764162459,0.952365192,1.377108227,0.908184456,0.957163612,0.996844996,0.369373323,2.51E-08,1.6,1.127272727,1.447362514,0.918518519,0.951919192,0.876767677,0.300606061,0,1.6,1.127272727,1.447362514,0.918518519,0.951919192,0.876767677,0.300606061,0,1.6,1.127272727,1.447362514,0.918518519,0.951919192,0.876767677,0.300606061,0,1.6,1.127272727,1.447362514,0.918518519,0.951919192,0.876767677,0.300606061,0,1.6,1.127272727,1.447362514,0.918518519,0.951919192,0.876767677,0.300606061,0,2.165113846,0.647461512,1.235613572,0.945930834,0.92012024,1.161476758,0.474475612,0,52.27509973,26.13754986,38.45794636,52.27509973,5.227509973,26.13754986,-7.11E-15,0.077277354,0.007727735,-2.560354325,66.09421116,6.609421116,4.191081166,52.27509973,26.13754986,38.45794636,52.27509973,5.227509973,26.13754986,-7.11E-15,0.077277354,0.007727735,-2.560354325,66.09421116,6.609421116,4.191081166,52.27509973,26.13754986,38.45794636,52.27509973,5.227509973,26.13754986,-7.11E-15,0.077277354,0.007727735,-2.560354325,66.09421116,6.609421116,4.191081166,52.27509973,26.13754986,38.45794636,52.27509973,5.227509973,26.13754986,-7.11E-15,0.077277354,0.007727735,-2.560354325,66.09421116,6.609421116,4.191081166,52.27509973,26.13754986,38.45794636,52.27509973,5.227509973,26.13754986,-7.11E-15,0.077277354,0.007727735,-2.560354325,66.09421116,6.609421116,4.191081166,52.27509973,26.13754986,38.45794636,52.27509973,5.227509973,26.13754986,-7.11E-15,0.077277354,0.007727735,-2.560354325,66.09421116,6.609421116,4.191081166,70.6179413,35.14126232,53.12056451,70.34960797,7.034960797,35.14126232,-0.335416667,0.065912402,0.00659124,-2.719428664,49.3764527,4.93764527,3.899473645,0,11.89,12.11015511,-0.167977474,0.052636263,5.559256875,9.685442284,9,31,31,31,9,0,0,0,0,0,24.050554,3.631303663,3.293474355,2.797066796,2.689164194,2.333552793,2.210821848,1.764254176,1.661441681,1.976249117,1.769289644,1.49338183,1.432322446,1.249629723,1.111252981,0.848893008,0.797642817,3.653531,3.3252718,2.847637934,2.743856529,2.405454588,2.28021436,1.851773024,1.754485244,1.92374206,1.699841816,1.399573079,1.333538944,1.134540686,0.996851104,0.716742518,0.661010472,3.753024995,3.466172758,3.064889637,2.977675964,2.704236987,2.571580149,2.211931469,2.13477535,1.773234449,1.494423178,1.107032719,1.022786582,0.76031856,0.626704931,0.278705959,0.204817552,3.669999445,3.348770346,2.884663781,2.783843727,2.457539916,2.330678288,1.915015888,1.821570824,1.890651576,1.655475239,1.338368331,1.268867505,1.058262671,0.921145694,0.628512425,0.569549131,3.802529856,3.535112638,3.166894928,3.086716031,2.838982085,2.704206754,2.371874797,2.302312663,1.727541706,1.430353956,1.010768104,0.919620095,0.631337262,0.500104804,0.12470846,0.043067867,3.627644116,3.367557871,2.996451771,2.914812091,2.634654398,2.419707023,2.005691327,1.906695169,1.921022053,1.620649342,1.216571837,1.126346287,0.878556837,0.804612839,0.507202504,0.450856426,0,0,0,0,0,5,3,1,1,0,0,0,0,0,0,0,0,0,0,1.495781916,0.25,0,0,1.495781916,0.25,0,0,1.779365372,2.059348469,1.928921625,1.779365372,2.059348469,1.928921625,8.198670613,4.515167194,4.235311104,2.555077777,1.2319982,0.637136847,0.102062073,0,0.819867061,0.501685244,0.352942592,0.255507778,0.153999775,0.127427369,0.102062073,0,8.198670613,4.515167194,4.235311104,2.555077777,1.2319982,0.637136847,0.102062073,0,0.819867061,0.501685244,0.352942592,0.255507778,0.153999775,0.127427369,0.102062073,0,15.96010584,30.76620539,28.98039216,29.36,18.7840994,246.5681114,0.498753308,0.961443918,0.905637255,0.9175,0.587003106,7.705253481,3.8588,48.144,26.13754986,38.45794636,52.27509973,5.227509973,26.13754986,0.077277354,0.007727735,-2.560354325,66.09421116,6.609421116,4.191081166,81,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,5,0,3,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,11.61956019,0,4.000763889,0,0,0,0.898101852,0,0,0,0,0,0.564907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.274212963,0,1.302916667,0,0,0,0.898101852,0,0,0,0,0,0.564907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.360277778,0,1.375,0,0,0,0.898101852,0,0,0,0,0,0.564907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.08333333,1.708333333,0.2,2.360277778,0,0.564907407,7.468113796,0.685092593,0.360277778,3.23912037,0.685092593,0.360277778,3.23912037,5,0.5,0,0,0.425,0.7,0.425,0.425,0.7,0,0,0,0,0.71429,0,0,0.5,0.1,0.1,4.5,0.45,4.5,0.45,0,0,-4.5,-0.45,0,0,13.07057,1.30706,13.07057,0,0,4.51516,0.45152,4.51516,0,0,0.39884,0.03988,0.39884,0.03988,0,9,0,0,0,0,0,0,1,0.896038233,1.422749263,2.558964564,3.569548828,3.694548828,3.350798828,28.67322344,45.52797641,81.88686606,114.2255625,118.2255625,107.2255625,0.179207647,0.284549853,0.511792913,0.713909766,0.738909766,0.670159766,4.103961767,3.577250737,2.441035436,1.430451172,1.305451172,1.649201172,0.180864499,0.287180639,0.51652466,0.72051017,0.745741306,0.676355683,6.667318507,12.98785087,18.38024006,19.39873218,18.83769937,15.82741326,39.63994499,28.3674346,22.18409269,19.67556367,20.00460508,21.27575156,10,4,4.48,10,0,7,2.56,1.5176,2.623267021,6.004199232,2.125707501,2.648059603,1.190550789,2.080083823,2.080083823,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.131,0.009,0.004,4.124,12,10,8,5,1,0,0,0,0,55,2.302585093,2.564949357,2.397895273,2.197224577,1.791759469,0.693147181,0,0,0,0,4.025351691,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.444444444,9,1,1,3,6,1,4,1.333333333,0.75,0.32,0.055555556,0,0,0,0,0,0.444444444,0.111111111,0.075,0.04,0.011111111,0,0,0,0,0,0.681666667,26.13754986,38.45794636,52.27509973,5.227509973,26.13754986,0.077277354,0.007727735,-2.560354325,66.09421116,6.609421116,4.191081166,0,181.516305,4.321928095,3.761200116,4.465908119,5.303304908,6.033086222,6.876264612,7.611347717,8.456381052,9.192888978,10.03867383,80.73905555,2.944438979,0,4.204692619,0,5.645446898,0,7.150701458,0,8.687610844,8.933136544,142.1721507,4.44287971,18.25157703,1.825157703,0,0,0,126,10,5.945,42,1.232032258,2.124770322,2.926159635,3.496864402,4.128613317,4.98818029,6.279816121,8.149714457,0,0,73.3510472,85.38199855,81.96202804,64.48160674,69.43340873,45.17287516,17.93228805,8.28063147,0,0,277.889902,351.5298912,407.8777097,352.6094644,405.0820583,386.2408786,282.3268639,253.3236414,0,0,8.95613516,15.11490047,20.74578486,24.32818843,28.72975398,34.50721896,42.6064625,54.75356319,0,0,2.112699944,2.832729608,3.51354958,3.256414932,3.800246972,3.984260396,3.488796925,3.623468219,0,0,177.010611,329.6808697,457.5375099,582.4562517,686.7540829,843.9647063,1128.133416,1507.026062,0,0,2.500276882,3.507036018,4.94689683,5.11798081,6.173904793,7.298671165,7.321342401,8.149714457,0,0,0.438284758,0.594942372,0.74579493,0.701179529,0.819969968,0.871858293,0.786367187,0.83453076,0,0,413.5053262,223.1601779,10.03253886,143.7517858,-77.57983287,-8.575521772,269.7535404,300.7400108,18.60806063,0.742036875,0.400461785,0.018003429,0.257963125,-0.139217304,-0.015388806,230.4287839,124.3575963,5.59070363,80.10670502,-43.23191362,-4.778770497,0.055257491,0.120505115,0.556196043,6.866978722,557.2571121,0,1,0,558.7341223,23.63755745,8.236355148,771.8489161,27.78216903,9.17298675,1080.418817,32.86972493,10.26118174,2.077868105,2.077868105,821.1464482,786.9980821,170.5117842,1.04339066,4.815775357,4.615505526,4.60331556,4.466158665,8.836778877,0.978608361,6.135820607,8.580015109,3.538140431,44.22605875,10.12356272,21.7727246,12.11094138,20.43837398,12.73332827,6.600731938,5.982037061,8.571535741,5.545364375,0.860264984,2.474850258,0.241081057,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.514936257,8.539909222,0.215062498,14.13773567,3.041422185,1.916382876,0.904242142,0.964478546,3.230356324,0.21241531,0.186775169,0.348417267,0.157389909,0.859561028,0.112752628,0.00169802,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.662277437,8.548032934,0.748193847,18.00143627,3.535819404,4.550289365,2.595963597,3.487529544,4.364855184,0.910074063,0.809344678,1.344081525,0.7110199,0.859696021,0.426540802,0.017694156,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,5.791713688,8.577537655,3.283344211,41.5782037,9.353489505,20.05506899,11.21409929,18.73253142,11.86668872,5.995143289,5.429016001,7.826552776,5.022299421,0.860218811,2.270681911,0.214798927,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,2.449891529,8.553628241,1.157278663,21.33012135,4.157644103,6.779772321,3.934184113,5.650649725,5.38275154,1.569027705,1.403103688,2.230325986,1.253238849,0.859791273,0.691937989,0.038433908,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,7.409894105,8.589213214,4.539851308,54.94487848,13.35687867,28.70248683,15.67086429,27.33756875,16.26555799,9.086503314,8.254710944,11.60415642,7.701421881,0.860439437,3.298422411,0.351593848,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,3.854504767,6.990190436,1.586371434,26.97158138,5.85455501,11.99790961,6.065040315,9.770799208,6.915188725,2.882591734,2.686825427,4.163098444,2.166813776,1.178545323,1.272864568,0.082607487,0.047741563,5.41E-20,1.18E-59,4.98E-121,4.04E-204,0.00E+00,0,0,0,0,0,0,0,0,5.971390427,1.241976874,0.961561427,0.73045168,0.151925101,0.480378242,0.49612135,0.414936674,8.174928727,14.35242457,29.65860901,0.595677521,1.391436265,5.055819092,0.723163463,0.480087442,0.807758836,0.115538485,0.344247659,0.167519587,0.103091721,6.259069996,6.430600593,14.44495844,0.711638253,0.614858966,5.430519009,0.935283693,0.677357556,0.771034423,0.132793186,0.3972202,0.28060001,0.205544331,7.043160258,9.391000436,19.87451112,0.656551635,0.883364541,5.949807662,1.229728868,0.950231485,0.731854544,0.15126248,0.476908422,0.486327961,0.405191975,8.129768014,14.1388719,29.22115133,0.597781816,1.368428357,5.592740509,1.027212064,0.762660485,0.757555687,0.139139361,0.421331166,0.338721065,0.260726811,7.382613058,10.79370676,22.55775132,0.636333531,1.020779042,6.038623059,1.280135467,0.996850159,0.72617932,0.153943688,0.491267833,0.527267844,0.446031557,8.315608685,15.02596115,31.04747631,0.58926898,1.464567234,5.964749604,1.232421598,0.952213538,0.731926372,0.151228791,0.479316163,0.488715033,0.406958516,8.14938474,14.20433009,29.35351867,0.597889557,1.374989712 +UMLRON0224,L,"3,3,5-Trimethylheptane",CCC(C)CC(C)(C)CC,23544,,"Sandia, UML",[1],C10H22,PubChem,,86.4,0,1.4138,1.99883044,32.9503,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1250.044159,1205.684934,651.912242,153.584928,12.192768,0,0,3399.790734,4147.41404,5455.451468,6043.07873,4805.668928,2142.045985,373.0049332,0,0,146.842108,144.889944,255.20326,324.759192,375.617864,286.167168,80.621568,0,0,25.74688067,32.32302034,45.12577094,52.57906413,47.4277504,25.36305606,5.335354858,0,0,3476.407621,2904.481805,5646.065419,7299.004401,8979.043697,7448.590342,2219.011824,0,0,42.55555556,47.11111111,63.66666667,86,94.66666667,58,12,0,0,48.76541633,51.7541979,34.72344886,26.21054204,12.07244893,3.656784,1.016064,0,0,161.8947969,207.370702,151.5403185,131.3712767,88.99386904,51.00109489,31.08374443,0,0,6.992481333,7.2444972,7.088979444,7.059982435,6.95588637,6.813504,6.718464,0,0,1.226041937,1.616151017,1.253493637,1.143023133,0.878291674,0.603882287,0.444612905,0,0,165.54322,145.2240902,156.8351505,158.6740087,166.278587,177.3473891,184.917652,0,0,2.026455026,2.355555556,1.768518519,1.869565217,1.75308642,1.380952381,1,0,0,0.047499648,-0.012245035,-0.006659622,0.00265109,-0.023341202,0.001006408,0.014838538,0,0,564.9747087,-53.80711511,2.95E-13,-228.6802392,-322.8426907,161.4213453,161.4213453,0,0,1050.594596,-100.0566282,-2.84E-14,-425.2406698,-600.3397692,300.1698846,300.1698846,0,0,0.110674667,-0.010540444,1.02E-15,-0.044796889,-0.063242667,0.031621333,0.031621333,0,0,4.696646663,-0.447299682,4.75E-15,-1.901023649,-2.683798093,1.341899046,1.341899046,0,0,25.51225921,-2.429738973,1.35E-14,-10.32639063,-14.57843384,7.289216918,7.289216918,0,0,6.105820106,-2.053162006,0.114890401,0.72058453,-2.198034769,-0.846560847,1.209372638,0,0,0.002261888,-6.12E-04,-1.85E-04,5.76E-05,-4.32E-04,2.40E-05,0.001236545,0,0,26.90355756,-2.690355756,8.19E-15,-4.971309548,-5.978568346,3.843365365,13.45177878,0,0,50.0283141,-5.00283141,-7.89E-16,-9.244362388,-11.11740313,7.146902014,25.01415705,0,0,0.005270222,-5.27E-04,2.84E-17,-9.74E-04,-0.00117116,7.53E-04,0.002635111,0,0,0.223649841,-0.022364984,1.32E-16,-0.041326601,-0.049699965,0.031949977,0.111824921,0,0,1.214869486,-0.121486949,3.76E-16,-0.224486753,-0.269970997,0.173552784,0.607434743,0,0,0.290753338,-0.1026581,0.0031914,0.015664881,-0.040704348,-0.020156211,0.100781053,0,0,-0.270681736,-0.081785441,0.025479769,-0.19109898,0.010593846,0.546687053,0,0,-0.1,3.04E-16,-0.184782609,-0.222222222,0.142857143,0.5,0,0,-0.1,-1.58E-17,-0.184782609,-0.222222222,0.142857143,0.5,0,0,-0.1,5.39E-15,-0.184782609,-0.222222222,0.142857143,0.5,0,0,-0.1,5.89E-16,-0.184782609,-0.222222222,0.142857143,0.5,0,0,-0.1,3.10E-16,-0.184782609,-0.222222222,0.142857143,0.5,0,0,-0.353076256,0.010976314,0.053876874,-0.139996149,-0.06932409,0.346620451,0,0,1.564371244,0.963078092,0.955395702,1.183930077,0.807092707,0.188620305,0,0,1.5,1.130952381,1.257763975,1.111111111,0.510204082,0,0,0,1.5,1.130952381,1.257763975,1.111111111,0.510204082,0,0,0,1.5,1.130952381,1.257763975,1.111111111,0.510204082,0,0,0,1.5,1.130952381,1.257763975,1.111111111,0.510204082,0,0,0,1.5,1.130952381,1.257763975,1.111111111,0.510204082,0,0,0,1.719670711,0.722848065,0.822846809,1.219911419,1.091854419,0,0,0,25.35151628,12.67575814,18.59510582,25.35151628,3.621645183,12.67576696,0,0.049371259,0.007053037,-2.105870775,24.20116,3.457308572,2.230480396,25.35151628,12.67575814,18.59510582,25.35151628,3.621645183,12.67576696,0,0.049371259,0.007053037,-2.105870775,24.20116,3.457308572,2.230480396,25.35151628,12.67575814,18.59510582,25.35151628,3.621645183,12.67576696,0,0.049371259,0.007053037,-2.105870775,24.20116,3.457308572,2.230480396,25.35151628,12.67575814,18.59510582,25.35151628,3.621645183,12.67576696,0,0.049371259,0.007053037,-2.105870775,24.20116,3.457308572,2.230480396,25.35151628,12.67575814,18.59510582,25.35151628,3.621645183,12.67576696,0,0.049371259,0.007053037,-2.105870775,24.20116,3.457308572,2.230480396,25.35151628,12.67575814,18.59510582,25.35151628,3.621645183,12.67576696,0,0.049371259,0.007053037,-2.105870775,24.20116,3.457308572,2.230480396,40.10474213,19.81030757,30.35860868,39.75893714,5.679848163,19.81030758,-0.484126984,0.107632549,0.015376078,-1.560322523,18.73768826,2.676812608,2.051375837,0,11.79,12.21004853,-0.305320502,0.114987096,5.445298501,8.439504935,6,20,19,19,5,1,1,0,0,1,15.304898,3.565292782,3.03540741,2.613997346,2.333552793,1.675597955,1.102262358,0.739985602,0.083923071,1.918530136,1.567383032,1.347093373,1.249629723,0.723890459,0.413791041,0.25831699,0.083923071,3.587893338,3.070703907,2.667854002,2.405454588,1.758753628,1.212231904,0.877930762,0.270913902,1.864414094,1.489651661,1.250062434,1.134540686,0.594479685,0.260418366,0.090857889,0.270913902,3.689315046,3.227910323,2.898784453,2.704236987,2.103995223,1.65828376,1.412692074,0.943918427,1.709971514,1.259528981,0.943388844,0.76031856,0.16847813,0.260486965,0.493410186,0.943918427,3.60465101,3.096841155,2.707282414,2.457539916,1.819036029,1.291408817,0.975588878,0.399277246,1.83036919,1.439958679,1.186389042,1.058262671,0.508292341,0.15709758,0.022962003,0.399277246,3.739949465,3.30509823,3.006588766,2.838982085,2.258667486,1.852025978,1.635232374,1.207644823,1.66329552,1.18785523,0.841385993,0.631337262,0.01997399,0.448556552,0.71226082,1.207644823,3.594277243,3.199972629,2.786274055,2.519174164,1.847416484,1.350680593,1.023095843,0.512195122,1.904964007,1.369231409,1.036671855,0.982588798,0.463067975,0.081833427,0.102832313,0.512195122,0,0,1,1,0,3,0,2,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.525783423,0,0.19245009,0,1.276142375,0.707106781,0.23570226,1.046766366,0.40824829,0.136082763,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,5.439157589,2.806965765,2.338835953,1.42335187,0.272165527,0,0,0,0.777022513,0.467827627,0.334119422,0.237225312,0.136082763,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.39069,33.929,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,5,1,0,2,0,0,0,0,0,0,0,0,3,1,0,0,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.672592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.370972222,0.300694444,0,0,1.228333333,0.290277778,0,0.671666667,0,0,0,0,0,0,0,0,6.579722222,3.681851852,0,0,1.990740741,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.990740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.370972222,0.300694444,0,0,0.225625,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.178240741,3.681851852,0,0,1.990740741,0,0.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.681851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.370972222,0.300694444,0,0,0.290277778,0.290277778,0,0.370972222,0,0,0,0,0,0,0,0,2.200740741,3.681851852,0,0,1.990740741,0,0.747685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.952380952,0.370972222,3.681851852,0.225625,0.666666667,5.171775833,0.666666667,0.681851852,2.523148148,0.666666667,0.681851852,2.523148148,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0.28571,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.16198,0.88028,7.55695,1.39497,0.19928,2.64272,0.37753,3.18073,0.53801,0.07686,0.23327,0.03332,0.23327,0.03332,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.127387765,2.843301946,3.236857303,3.027699331,2.191067441,19.28421252,44.67514307,59.70934087,67.97400337,63.58168595,46.01241626,0.209068641,0.484342902,0.647335261,0.736936107,0.68931706,0.498840869,3.474021589,2.264929658,1.549015477,1.155460119,1.364618092,2.201249982,0.209068641,0.484342902,0.647335261,0.736936107,0.68931706,0.498840869,6.73287657,15.74885826,17.91238428,18.30901922,15.79912355,8.058641897,27.64912502,18.81705526,16.14024519,15.72677782,14.47182999,10.49782851,7,3.06122449,2.666666667,7,2,5,2.23,1.0519,1.944161297,1.941967087,4.930998067,0,0,1.414213562,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.144,0.14,0.089,0.137,2.704,7,6,2,0,0,0,0,0,0,28,2.079441542,2.197224577,2.197224577,1.609437912,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,2,1.111111111,0.25,0,0,0,0,0,0,0,0.333333333,0.158730159,0.041666667,0,0,0,0,0,0,0,0.533730159,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,0,126.9918924,3.807354922,3.295836866,3.970291914,4.691347882,5.398162702,6.120297419,6.834108739,7.556427969,8.272059622,8.994296558,68.13282967,2.564949357,0,3.713572067,0,5.056245805,0,6.463029457,0,7.890956716,8.168486417,98.10955045,4.671883355,12.50524286,1.786463266,0,0,0,46,6,3.831,26,1.2236,2.12895244,2.927336539,3.543158958,4.239426614,5.439833782,0,0,0,0,73.7959167,83.81884596,84.8831118,49.10181354,17.45662174,5.527219272,0,0,0,0,278.2003652,350.4277317,406.636193,337.418629,230.9528922,169.090403,0,0,0,0,8.897867644,15.15328829,20.71201403,24.71213761,28.95567337,36.54732743,0,0,0,0,2.110244062,2.836954539,3.476967904,3.259079858,2.677963218,2.4186203,0,0,0,0,175.6104775,329.5213266,461.3240525,584.1422883,746.2497583,1005.92129,0,0,0,0,2.935777778,3.921586357,5.636619749,6.463046534,6.120756198,5.439833782,0,0,0,0,0.43759575,0.596197725,0.737533666,0.705440967,0.597250572,0.557038979,0,0,0,0,347.1170594,151.9600096,10.393001,128.121806,-56.0888333,-8.063138946,218.9952533,208.0488429,18.45613994,0.730405454,0.319755013,0.021869005,0.269594546,-0.118022404,-0.016966497,164.9635175,72.21730257,4.939158002,60.88846174,-26.6555935,-3.831917004,0.129990543,0.233834906,2.099229663,5.235900227,475.2388654,0,1,0,393.1393776,19.82774263,7.32569526,529.3948196,23.00858143,8.089590956,651.4395304,25.52331347,8.668781095,1.340707606,1.281441922,366.2892296,268.4728533,126.9132064,1.364343639,2.88613959,2.115405172,3.854512688,3.477616438,6.522110511,0.875454245,4.149594424,4.863358144,3.251662307,18.30627514,7.188080907,4.117169293,8.406518829,12.64965327,4.762890705,1.307486916,0.680943934,1.904596212,2.41E-10,5.90E-42,2.78E-95,2.53E-170,4.43E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348257413,4.863166875,0.196488877,7.216247957,2.01652655,0.244033409,0.743973091,0.583563103,0.843250528,0.059980316,0.035428352,0.013414227,1.70E-12,4.15E-44,1.96E-97,1.78E-172,3.12E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,1.124191339,4.863180135,0.684632581,8.801171941,2.394773585,0.847503339,2.046267299,2.198796159,1.186530993,0.226404147,0.128678013,0.139786586,1.77E-11,4.33E-43,2.04E-96,1.85E-171,3.25E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,3.916879296,4.863337314,3.016697619,17.38721927,6.631848347,3.813861947,7.844808964,11.61108303,4.361331847,1.199906545,0.627801015,1.696960935,2.15E-10,5.25E-42,2.48E-95,2.25E-170,3.95E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.656845653,4.863196893,1.059955439,10.09071848,2.855555707,1.317326233,3.017983723,3.559306608,1.557816139,0.366842895,0.204126536,0.303635144,3.85E-11,9.40E-43,4.43E-96,4.03E-171,7.06E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,5.011233796,4.863445625,4.176050746,21.98177761,9.519645791,5.315341307,10.59143422,16.8355172,6.433168547,1.741243984,0.893178314,2.777674578,3.52E-10,8.60E-42,4.05E-95,3.69E-170,6.46E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,2.268877043,3.242421163,1.36176965,10.24732126,4.015590412,2.089064696,4.514278629,5.11851906,2.526614017,0.689514945,0.283170998,0.499659089,6.33E-11,1.55E-42,7.29E-96,6.63E-171,1.16E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,3.231765065,1.814860385,0.521721408,0.580381422,0.32592445,0.475938476,0.542098257,0.474939161,5.568346858,8.498134925,17.12648343,0.370572132,1.492975894,2.60513677,1.147423686,0.148389197,0.667821172,0.294139578,0.301725753,0.207102812,0.037936216,3.900949653,3.546035068,7.890549061,0.501731758,0.546764781,2.853159416,1.413017789,0.297008496,0.625256039,0.309655991,0.365186277,0.319801525,0.153248601,4.563185701,5.298655885,11.05925065,0.437884058,0.838236403,3.216164188,1.798393581,0.512509031,0.58189349,0.325379382,0.471028622,0.531725771,0.458290392,5.527066801,8.353935177,16.84531784,0.372840235,1.461044784,2.964071926,1.531206406,0.363093233,0.610095767,0.31516865,0.395849437,0.378584007,0.229507047,4.858371565,6.170811063,12.67711972,0.41514365,1.003940491,3.280636638,1.86639181,0.550555246,0.575794374,0.327576023,0.491517928,0.575267203,0.528946412,5.697583694,8.956676867,18.02528465,0.363691561,1.595731542,3.239065437,1.798751796,0.511443066,0.583693188,0.324142624,0.476709771,0.530010526,0.456468413,5.549260299,8.402831464,16.9318996,0.375539783,1.463188709 +UMLRON0225,L,"3,4-dimethyl-1-pentene",CC(C)C(C)C=C,23866,,"Sandia, UML",[1],C7H14,PubChem,,98.9,0,2.3095,5.33379025,34.7352,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1216.771087,1174.35831,679.08893,184.911552,18.289152,0,0,3399.790734,4147.41404,5204.492852,5596.019286,4870.125077,2589.105429,559.5073998,0,0,146.842108,144.889944,254.005756,263.49468,336.504584,347.43168,120.932352,0,0,25.74688067,32.32302034,43.11897672,47.23968518,46.76686718,30.70243501,8.003032287,0,0,3476.407621,2904.481805,5741.450732,5698.335742,7774.152472,9049.259002,3328.517736,0,0,37.80555556,45.27777778,62.66666667,71.16666667,81,63,18,0,0,48.76541633,51.7541979,33.79919686,31.73941378,14.14768604,3.625716706,1.016064,0,0,161.8947969,207.370702,144.5692459,151.2437645,101.4609391,50.76677312,31.08374443,0,0,6.992481333,7.2444972,7.055715444,7.121477838,7.010512167,6.812385882,6.718464,0,0,1.226041937,1.616151017,1.197749353,1.276748248,0.974309733,0.60200853,0.444612905,0,0,165.54322,145.2240902,159.4847426,154.0090741,161.9615098,177.436451,184.917652,0,0,1.80026455,2.263888889,1.740740741,1.923423423,1.6875,1.235294118,1,0,0,0.032400449,0.003116075,3.38E-04,-0.022608921,-0.021707055,0.013166372,0.011495371,0,0,564.9747087,-53.80711511,121.066009,-269.0355756,-524.6193723,201.7766817,242.132018,0,0,1050.594596,-100.0566282,225.1274134,-500.283141,-975.5521249,375.2123557,450.2548269,0,0,0.110674667,-0.010540444,0.023716,-0.052702222,-0.102769333,0.039526667,0.047432,0,0,4.696646663,-0.447299682,1.006424285,-2.236498411,-4.361171901,1.677373808,2.01284857,0,0,25.51225921,-2.429738973,5.466912688,-12.14869486,-23.68995498,9.111521147,10.93382538,0,0,3.518518519,-1.290123457,1.12037037,-0.672839506,-2.907407407,0.601851852,1.388888889,0,0,0.001542879,1.56E-04,9.39E-06,-6.11E-04,-4.52E-04,2.58E-04,6.39E-04,0,0,26.90355756,-2.690355756,3.362944694,-7.271231772,-10.92957026,3.956405523,13.45177878,0,0,50.0283141,-5.00283141,6.253539262,-13.52116597,-20.3240026,7.357105014,25.01415705,0,0,0.005270222,-5.27E-04,6.59E-04,-0.001424384,-0.002141028,7.75E-04,0.002635111,0,0,0.223649841,-0.022364984,0.02795623,-0.060445903,-0.090857748,0.032889683,0.111824921,0,0,1.214869486,-0.121486949,0.151858686,-0.328343104,-0.493540729,0.178657277,0.607434743,0,0,0.167548501,-0.064506173,0.031121399,-0.018184852,-0.060570988,0.011801017,0.077160494,0,0,0.100982513,0.006084083,-0.396046668,-0.293108169,0.167326302,0.413922231,0,0,-0.1,0.125,-0.27027027,-0.40625,0.147058824,0.5,0,0,-0.1,0.125,-0.27027027,-0.40625,0.147058824,0.5,0,0,-0.1,0.125,-0.27027027,-0.40625,0.147058824,0.5,0,0,-0.1,0.125,-0.27027027,-0.40625,0.147058824,0.5,0,0,-0.1,0.125,-0.27027027,-0.40625,0.147058824,0.5,0,0,-0.385,0.185745614,-0.108534851,-0.361513158,0.070433437,0.460526316,0,0,1.251733078,1.287001458,1.669585361,1.118146346,0.452776382,0.00533375,0,0,1.5,0.952380952,1.447876448,1.383928571,0.504201681,0,0,0,1.5,0.952380952,1.447876448,1.383928571,0.504201681,0,0,0,1.5,0.952380952,1.447876448,1.383928571,0.504201681,0,0,0,1.5,0.952380952,1.447876448,1.383928571,0.504201681,0,0,0,1.5,0.952380952,1.447876448,1.383928571,0.504201681,0,0,0,1.863157895,0.660087719,1.197012802,1.470394737,0.66873065,0,0,0,23.95673957,11.97836979,16.99818299,23.95673957,3.422391368,11.97838688,1.78E-15,0.138072152,0.019724593,-1.385985222,36.23415696,5.176308136,2.513001565,23.95673957,11.97836979,16.99818299,23.95673957,3.422391368,11.97838688,1.78E-15,0.138072152,0.019724593,-1.385985222,36.23415696,5.176308136,2.513001565,23.95673957,11.97836979,16.99818299,23.95673957,3.422391368,11.97838688,1.78E-15,0.138072152,0.019724593,-1.385985222,36.23415696,5.176308136,2.513001565,23.95673957,11.97836979,16.99818299,23.95673957,3.422391368,11.97838688,1.78E-15,0.138072152,0.019724593,-1.385985222,36.23415696,5.176308136,2.513001565,23.95673957,11.97836979,16.99818299,23.95673957,3.422391368,11.97838688,1.78E-15,0.138072152,0.019724593,-1.385985222,36.23415696,5.176308136,2.513001565,23.95673957,11.97836979,16.99818299,23.95673957,3.422391368,11.97838688,1.78E-15,0.138072152,0.019724593,-1.385985222,36.23415696,5.176308136,2.513001565,27.36749176,13.63930143,19.88193222,27.30399969,3.900571385,13.63930442,-0.088888889,0.198817513,0.028402502,-1.130757528,27.28091668,3.897273812,2.314331205,0,11.89,12.11009426,-0.17149268,0.051060651,5.53474388,8.326256213,6,20,19,19,5,1,1,0,0,1,15.304898,3.60851281,2.944454247,2.579419807,2.333552793,1.823506219,1.268967928,0.083923071,0.083923071,1.907231508,1.569740786,1.369182976,1.249629723,0.859084142,0.183929317,0.083923071,0.083923071,3.625840687,2.988480225,2.638165852,2.405454588,1.904974735,1.353636545,0.270913902,0.270913902,1.857979606,1.483184305,1.265433854,1.134540686,0.730206018,0.090638653,0.270913902,0.270913902,3.706792717,3.18009016,2.888430946,2.704236987,2.244261259,1.684653676,0.943918427,0.943918427,1.723905579,1.217734755,0.936500977,0.76031856,0.307880842,0.257467103,0.943918427,0.943918427,3.638857553,3.020848793,2.681077864,2.457539916,1.964078528,1.41387815,0.399277246,0.399277246,1.82755594,1.427070779,1.197301609,1.058262671,0.644503889,0.02519969,0.399277246,0.399277246,3.749102655,3.271471588,3.00448923,2.838982085,2.397005259,1.821273886,1.207644823,1.207644823,1.685533152,1.131973078,0.826455575,0.631337262,0.161491403,0.392689881,1.207644823,1.207644823,3.620302538,3.063730944,2.777878518,2.571572866,2.020231566,1.443960866,0.545454545,0.545454545,1.830005432,1.362766176,1.086501209,0.935209229,0.565691956,0.009769432,0.545454545,0.545454545,0,0,0,0,2,4,1,0,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.426776695,0,0.176776695,0,1.276142375,0.707106781,0.23570226,0.957106781,0.530330086,0.176776695,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,5.707106781,2.810660172,2.133883476,1.383883476,0.353553391,0,0,0,0.815300969,0.468443362,0.304840497,0.230647246,0.176776695,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,4,0,0,0,0,0,0,0,0,0,0,4,0,1,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.974537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.533680556,1.161111111,0,0,0,0,0,0,0,0,0,0,8.662037037,0,1.196759259,0,0,0,0,0,0,2.974537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.460648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.243402778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.15162037,0,1.196759259,0,0,0,0,0,0,1.460648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.513888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290277778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.18287037,0,1.196759259,0,0,0,0,0,0,1.513888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.83333333,1.833333333,0.290277778,2.18287037,0.041666667,1.196759259,3.899428241,0.303240741,0.18287037,1.324074074,0.303240741,0.18287037,1.324074074,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0.28571,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.59155,0.94165,7.55695,0.9654,0.13791,2.56498,0.36643,3.18073,0.61575,0.08796,0.23327,0.03332,0.23327,0.03332,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.532419498,2.485693612,2.485693612,2.492217783,2.173802199,19.28421252,32.18080947,52.19956586,52.19956586,52.33657345,45.64984618,0.209068641,0.348886328,0.565918483,0.565918483,0.567403843,0.494910087,3.474021589,2.859897924,1.90662381,1.90662381,1.900099639,2.218515224,0.209068641,0.348886328,0.565918483,0.565918483,0.567403843,0.494910087,6.73287657,14.10236054,16.10996786,16.10996786,15.25945184,8.041241554,27.64912502,19.06539253,18.802954,18.802954,15.54628285,11.28266467,7,3.06122449,2.666666667,7,2,5,2.23,1.0519,1.944161297,1.941967087,4.930998067,0,0,1.414213562,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.099,0.064,0.179,0.192,3.161,7,6,2,0,0,0,0,0,0,28,2.079441542,2.48490665,2.48490665,1.609437912,0,0,0,0,0,0,3.713572067,1.428571429,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,5,0.833333333,0,2,4,1,2,1.111111111,0.25,0,0,0,0,0,0,0,0.333333333,0.158730159,0.041666667,0,0,0,0,0,0,0,0.533730159,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,0,126.9918924,3.807354922,3.295836866,3.970291914,4.691347882,5.398162702,6.120297419,6.834108739,7.556427969,8.272059622,8.994296558,68.13282967,2.564949357,0,3.713572067,0,5.056245805,0,6.463029457,0,7.890956716,8.168486417,98.10955045,4.671883355,12.50524286,1.786463266,0,0,0,46,6,2.898,26,1.213848913,2.09186114,3.049804568,3.780807083,4.442719311,4.382722534,0,0,0,0,73.91066692,83.64409655,107.8046993,55.52307876,15.26733998,4.453126589,0,0,0,0,277.625505,339.5346801,490.6759856,397.7827918,219.2016203,136.2314272,0,0,0,0,8.829207949,14.84432065,21.77762252,26.57128163,30.23526131,29.44516357,0,0,0,0,2.102337097,2.732530977,4.067186508,3.795719829,2.623849797,1.948614997,0,0,0,0,174.0709866,327.5165484,465.6103549,607.1094342,790.7104221,810.4427604,0,0,0,0,2.843601712,3.858005004,6.047185759,6.534906991,5.412264848,4.382722534,0,0,0,0,0.435823604,0.574031844,0.857333456,0.818633665,0.588343923,0.448790787,0,0,0,0,314.7303807,119.0430132,8.450175196,62.80295696,-23.75446951,-3.512103642,251.9274238,142.7974827,11.96227884,0.833649242,0.315317884,0.022382593,0.166350758,-0.06292019,-0.009302764,118.8212111,44.94270609,3.190222846,23.71020996,-8.96810416,-1.32593621,0.08124934,0.202860389,1.892664126,0.880396622,377.5333377,0,1,0,389.5022539,19.73581146,7.303034042,529.8836948,23.01920274,8.092080329,640.7077204,25.31220497,8.620914126,1.063213438,1.021936521,379.5155504,232.0053667,163.5541217,1.63580505,2.32042792,1.418523509,3.947563325,3.548039917,6.178942665,0.74150878,5.795435508,4.928021254,3.525364891,13.75409647,9.407634401,4.845330622,8.779942509,11.6848651,8.276647587,1.476618155,0.148983261,7.26E-05,8.03E-30,1.98E-76,1.05E-144,1.13E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.486373436,4.903414853,0.143371644,5.046678875,2.246952985,0.281270079,2.972462247,0.86642275,0.126848969,0.012290894,0.001055315,5.12E-07,5.65E-32,1.40E-78,7.36E-147,7.93E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.57006619,4.905059227,0.563299701,5.887124997,3.184214934,0.979836253,4.144726703,2.459304125,0.783591682,0.11323364,0.010949979,5.33E-06,5.89E-31,1.45E-77,7.67E-146,8.26E-236,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.470418532,4.925319732,3.222659988,12.88958212,8.783752295,4.483474654,8.419755007,10.80486203,7.421548522,1.316942225,0.132745544,6.47E-05,7.15E-30,1.77E-76,9.31E-145,1.00E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.313987292,4.907191131,0.931857138,6.742256877,3.983316875,1.528579149,4.953358782,3.735490277,1.533366191,0.241305399,0.023770019,1.16E-05,1.28E-30,3.16E-77,1.67E-145,1.79E-235,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.998827077,4.939380765,4.754761571,17.33134336,11.92822206,6.278733288,10.1188432,15.19030894,11.84710364,2.147341044,0.217258469,1.06E-04,1.17E-29,2.89E-76,1.52E-144,1.64E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.334562297,4.522733367,1.387935089,7.908380838,5.186919604,2.243483683,6.062255371,5.663878953,2.727779173,0.446642274,0.044348871,2.16E-05,2.39E-30,5.90E-77,3.11E-145,3.35E-235,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.22715408,2.44931526,0.37903258,0.532929247,0.404477662,0.519085942,0.518850976,0.476039348,6.055501919,10.05588455,19.10738041,0.406110364,1.513976266,2.282946639,1.587072225,0.081713447,0.577707815,0.401614305,0.262248817,0.215687415,0.022124672,3.951732312,3.939433785,8.187230358,0.46898318,0.500060904,2.655955203,1.931527155,0.199798956,0.554794053,0.403470577,0.352515662,0.320523969,0.132274521,4.787281314,6.046623782,11.85888365,0.437396945,0.805314152,3.203589272,2.428157443,0.371671796,0.53362751,0.404462464,0.511511259,0.509772097,0.457729582,6.003418511,9.871980549,18.76656674,0.407134961,1.479012938,2.823109598,2.084175769,0.252434528,0.547143964,0.40393196,0.397633243,0.373854389,0.211148151,5.159719895,7.122624881,13.76763334,0.426613886,0.982635783,3.30098354,2.515500394,0.402077229,0.530827542,0.404514859,0.543218085,0.547792908,0.535684063,6.218561164,10.64230114,20.199561,0.403013603,1.626695056,3.206656726,2.431321707,0.371571308,0.533593508,0.404576351,0.512516862,0.511280209,0.457482107,6.009549741,9.891325128,18.79779866,0.407254788,1.481279178 +UMLRON0226,L,"2,3-Dimethyl-2-Pentene",CCC(=C(C)C)C,25403,,"Sandia, UML",[1],C7H14,PubChem,,97.5,0,2.1434,4.59416356,44.9911,28.268688,0,0,26,10,16,0,10,0,0,0,0,0,0,0,0,0,1458.898234,1780.618739,2477.815719,2187.265091,1351.14135,581.387522,154.429632,18.289152,0,4732.508928,6494.471781,9563.090124,10498.36633,7936.45476,4437.685036,1656.593096,559.5073998,0,182.900584,196.827788,364.951644,478.738892,557.178648,419.852936,145.87776,120.932352,0,35.00280648,48.49460896,74.5628497,88.35386152,74.38521695,45.85752089,17.36404786,8.003032287,0,4226.625993,3844.69868,7764.073206,10192.16632,13268.25353,10496.03299,3501.729441,3328.517736,0,44.39583333,54.94444444,87.30555556,116.0555556,117.5833333,81.75,33,18,0,56.11147054,65.94884219,48.58462194,32.64574763,16.88926687,9.530942984,7.353792,1.016064,0,182.0195742,240.5359919,187.5115711,156.6920348,99.2056845,72.74893501,78.88538554,31.08374443,0,7.034637846,7.289918074,7.155914588,7.145356597,6.9647331,6.882835016,6.94656,6.718464,0,1.346261788,1.796096628,1.462016661,1.318714351,0.929815212,0.751762638,0.826859422,0.444612905,0,162.5625382,142.3962474,152.2367295,152.1218854,165.8531691,172.0661146,166.749021,184.917652,0,1.707532051,2.034979424,1.711873638,1.732172471,1.469791667,1.340163934,1.571428571,1,0,0.04077681,-2.71E-04,1.06E-04,-0.037536842,0.010401006,6.00E-04,-0.005300922,0.011613301,0,745.0215938,45.8474827,168.3462255,-774.3926374,-122.4987428,170.4953263,-182.6735639,322.3651127,0,1385.399467,85.25535183,313.046995,-1440.016177,-227.7916432,317.0433396,-339.6892925,599.4516926,0,0.145944615,0.008981207,0.03297787,-0.151698201,-0.023996663,0.033398864,-0.035784497,0.063149112,0,6.193380214,0.38113109,1.399465722,-6.437542319,-1.018334631,1.417331241,-1.518569187,2.679827977,0,33.64253962,2.070310131,7.601920011,-34.96883205,-5.53160988,7.698965798,-8.248891926,14.55686811,0,3.562232906,-1.23690212,1.35255383,-3.043115138,0.521120973,1.1632869,-1.692091963,1.154031065,0,0.001568339,-1.00E-05,2.07E-06,-5.60E-04,1.30E-04,9.84E-06,-2.52E-04,6.45E-04,0,28.65467669,1.698054915,3.300906383,-11.55809907,-1.531234285,2.795005349,-8.698741137,17.90917293,0,53.2845949,3.157605624,6.138176373,-21.49277876,-2.84739554,5.197431797,-16.17568059,33.30287181,0,0.005613254,3.33E-04,6.47E-04,-0.002264152,-3.00E-04,5.48E-04,-0.001704024,0.003508284,0,0.238206931,0.014115966,0.027440504,-0.096082721,-0.012729183,0.023234938,-0.072312818,0.148879332,0,1.293943832,0.076678153,0.149057255,-0.521922866,-0.069145124,0.126212554,-0.392804377,0.808714895,0,0.137008958,-0.04581119,0.026520663,-0.045419629,0.006514012,0.019070277,-0.080575808,0.064112837,0,-0.006397331,0.001323047,-0.357225976,0.082898266,0.006272947,-0.160950464,0.411380089,0,0.059259259,0.115196078,-0.403358209,-0.0534375,0.097540984,-0.303571429,0.625,0,0.059259259,0.115196078,-0.403358209,-0.0534375,0.097540984,-0.303571429,0.625,0,0.059259259,0.115196078,-0.403358209,-0.0534375,0.097540984,-0.303571429,0.625,0,0.059259259,0.115196078,-0.403358209,-0.0534375,0.097540984,-0.303571429,0.625,0,0.059259259,0.115196078,-0.403358209,-0.0534375,0.097540984,-0.303571429,0.625,0,-0.334366383,0.193568827,-0.331508462,0.047544425,0.139190001,-0.588106128,0.467946315,0,1.210723956,1.057168222,1.447323211,0.758241556,0.925049744,1.154861279,0.004709614,0,1.203703704,0.995710784,1.485541045,0.939453125,0.699282787,1.160714286,0,0,1.203703704,0.995710784,1.485541045,0.939453125,0.699282787,1.160714286,0,0,1.203703704,0.995710784,1.485541045,0.939453125,0.699282787,1.160714286,0,0,1.203703704,0.995710784,1.485541045,0.939453125,0.699282787,1.160714286,0,0,1.203703704,0.995710784,1.485541045,0.939453125,0.699282787,1.160714286,0,0,1.678705023,0.662244353,1.411906502,0.830349779,0.701087939,2.005162866,0,0,42.72860207,21.36430104,31.80969137,42.72860207,4.272860207,21.36430104,0,0.016973835,0.001697384,-4.076082228,52.76964938,5.276964938,3.965936203,42.72860207,21.36430104,31.80969137,42.72860207,4.272860207,21.36430104,0,0.016973835,0.001697384,-4.076082228,52.76964938,5.276964938,3.965936203,42.72860207,21.36430104,31.80969137,42.72860207,4.272860207,21.36430104,0,0.016973835,0.001697384,-4.076082228,52.76964938,5.276964938,3.965936203,42.72860207,21.36430104,31.80969137,42.72860207,4.272860207,21.36430104,0,0.016973835,0.001697384,-4.076082228,52.76964938,5.276964938,3.965936203,42.72860207,21.36430104,31.80969137,42.72860207,4.272860207,21.36430104,0,0.016973835,0.001697384,-4.076082228,52.76964938,5.276964938,3.965936203,42.72860207,21.36430104,31.80969137,42.72860207,4.272860207,21.36430104,0,0.016973835,0.001697384,-4.076082228,52.76964938,5.276964938,3.965936203,52.9383338,26.30069468,40.43927058,52.66877824,5.266877824,26.30069468,-0.336944444,0.163164956,0.016316496,-1.81299359,59.47149601,5.947149601,4.085497139,0,11.89,12.11015511,-0.154789269,0.067559481,6.28711485,9.265432956,11,27,26,26,10,1,1,0,0,1,17.491312,3.922296377,3.330332814,2.688995522,2.541415998,2.333552793,2.144552775,1.400151681,0.910400562,1.89408773,1.720523985,1.387842965,1.249629723,1.225664032,0.882490679,0.515232099,0.455500206,3.935957104,3.350637366,2.732871706,2.590532161,2.405454588,2.209083022,1.489536766,1.026851517,1.849622581,1.656701689,1.298282902,1.134540686,1.131898355,0.785240523,0.372694842,0.317525093,3.997440694,3.446704913,2.931340439,2.802606937,2.704236987,2.477654826,1.865093587,1.504817668,1.726460131,1.476917152,1.034995013,0.849665897,0.76031856,0.475951085,0.085407887,0.142452261,3.946088556,3.365955511,2.765569456,2.626576334,2.457539916,2.255879768,1.554695013,1.111289967,1.822005394,1.616680611,1.240935555,1.071444423,1.058262671,0.721643088,0.277976987,0.225718455,4.028407064,3.497547585,3.029477921,2.902541425,2.838982085,2.598590305,2.034168588,1.71228436,1.690257908,1.423912017,0.955874856,0.760954898,0.631337262,0.369215605,0.235535251,0.309429581,3.884130275,3.441592381,2.850836661,2.675059736,2.662620106,2.371965038,1.65549971,1.203160394,1.794755936,1.583820649,1.145518589,1.001177692,0.85357488,0.616742537,0.173304036,0.10778122,0,0,0,1,1,3,2,2,1,0.166666667,0.569035594,0.554737854,0.808761993,0.993132813,0.166666667,0.569035594,0.554737854,0.685459219,0.759706671,1.435060998,0.166666667,0.23570226,0.166666667,1.350510008,0.166666667,0.23570226,0.166666667,2.373222859,2.632695319,3.108050651,2.240212976,2.29934445,2.439965994,7.353371151,4.621027034,4.952577595,3.748007436,2.611360431,2.109238808,1.317508329,0.436431954,0.735337115,0.420093367,0.2751432,0.170363974,0.108806685,0.072732373,0.050673397,0.036369329,7.14626437,4.277656999,4.524656571,3.38336965,2.186421425,1.61978213,0.960891135,0.308603994,0.714626437,0.388877909,0.251369809,0.15378953,0.091100893,0.055854556,0.036957351,0.025716999,14.33462243,25.10269483,23.80392157,24.08,16.38843593,197.7114299,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,2.92489,43.482,49.1922031,65.31206142,98.3844062,9.83844062,49.1922031,0.048701325,0.004870132,-3.022049048,51.72554683,5.172554683,3.945951795,84,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,6,3,0,1,0,0,0,0,0,0,0,0,3,0,2,0,1,0,2,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.043935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252916667,0,0,1.507361111,0.870833333,0,0.252916667,0,0,0,0,0,0,0,0,7.091435185,0,2.72337963,0,2.42650463,0,2.049722222,0,0,1.617430556,0,0,0.674861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.617430556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252916667,0,0,0.22,0.290277778,0,0.252916667,0,0,0,0,0,0,0,0,2.268472222,0,1.350694444,0,2.42650463,0,1.024259259,0,0,1.617430556,0,0,0.674861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.42650463,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252916667,0,0,0.290277778,0.290277778,0,0.252916667,0,0,0,0,0,0,0,0,2.411481481,0,1.372685185,0,2.42650463,0,1.025462963,0,0,1.617430556,0,0,0.674861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.58333333,1.658333333,0.290277778,2.42650463,0.018194444,0.674861111,5.864005486,0.575138889,0.42650463,3.03587963,0.575138889,0.42650463,3.03587963,5,0.5,0,0,0.45385,0.7,0.44286,0.44286,0.7,0.01099,0.01099,0,0,0.71429,0,0,0.3,0.3,0.1,6.5,0.65,5.5,0.55,1,0.1,-4.5,-0.45,0,0,10.71688,1.07169,11.87998,1.16311,0.11631,4.06777,0.40678,4.62101,0.55324,0.05532,0.29299,0.0293,0.46499,0.0465,0.269230769,31,0,0,0,0,0,0,0.8,0.961236605,2.215695144,3.382568083,3.613337314,3.613337314,3.613337314,24.99215172,57.60807374,87.94677017,93.94677017,93.94677017,93.94677017,0.204499294,0.471380398,0.719628011,0.768723254,0.768723254,0.768723254,3.739203113,2.484744574,1.317871635,1.087102404,1.087102404,1.087102404,0.199951246,0.460896934,0.703623539,0.751626908,0.751626908,0.751626908,6.796774065,19.56870642,21.5902621,22.66838903,21.82283711,21.82283711,38.70844392,21.63427712,19.75933251,17.98976349,19.02839415,19.02839415,6.694214876,1.777777778,0.846880907,0,2,0,2.56,1.2574,0.814325285,3.079558666,3.687663322,1.889881575,1.650963624,5.853800636,1.310370697,1.650963624,2.080083823,0,0,0,0,0,0,0,0,0,0,0.003,0.162,0.163,0.346,0.549,4.525,18,22,24,29,26,12,0,0,0,152,2.564949357,3.091042453,3.295836866,3.465735903,3.850147602,3.871201011,3.17805383,0,0,0,5.379897354,1.421052632,0.4,2,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,3,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.272727273,0,3,5,0.666666667,3.5,3.111111111,0.784722222,0.646111111,0,0,0,0,0,0,0.318181818,0.207407407,0.071338384,0.107685185,0,0,0,0,0,0,0.704612795,22.21606521,32.43933995,44.43213043,4.443213043,22.21606521,0.065536682,0.006553668,-2.725145255,55.14522961,5.514522961,4.009970243,0,154.1669289,4.321928095,4.077537444,4.976733742,5.937536205,6.874198495,7.836369761,8.785233624,9.74689222,10.70101727,11.66206073,91.59757949,3.135494216,1.945910149,4.553876892,4.262679877,6.196444128,6.401917197,7.948385285,8.444837529,9.763823105,10.17225435,136.1252005,5.235584635,19.76989887,1.976989887,0,0,0,108,11,4.181,58,1.260098617,2.191655064,3.052380859,3.693088465,4.358018987,5.718018876,6.234402157,0,0,0,94.68085054,119.2604321,104.5930112,69.26929756,48.54539397,43.1710499,6.334551594,0,0,0,330.1525453,445.3639036,492.0886539,387.2657709,343.2028314,459.5301497,193.7885633,0,0,0,9.223066242,15.75281012,21.84034299,25.77354052,30.07958355,39.76093962,41.88560646,0,0,0,2.410043484,3.407822637,4.10849762,3.565034177,3.454584416,4.795664498,2.771895653,0,0,0,177.1265964,328.7761423,462.1960989,608.6880298,743.4574301,950.2577703,1152.851009,0,0,0,2.612539441,3.893974777,5.349274336,5.540189351,6.036602966,9.086614667,6.234402157,0,0,0,0.496242139,0.708722058,0.866681796,0.766615544,0.754280453,1.049043914,0.638402781,0,0,0,381.782309,178.5178145,11.29293094,157.809333,-73.79015889,-8.900435126,223.972976,252.3079734,20.19336607,0.70753933,0.330838732,0.020928662,0.29246067,-0.136751857,-0.016494761,206.006543,96.32672068,6.09357115,85.15259714,-39.816553,-4.802600405,0.122249988,0.181201913,3.377820745,4.627227319,539.5916421,0,1,0,732.1863799,27.0589427,9.013093616,887.3912695,29.78911327,9.609594247,1295.341282,35.99084997,10.90087607,1.526914311,1.278443433,566.7431624,519.6707886,182.3756242,1.090581143,3.107559823,2.849453105,4.173472247,4.488731946,7.599982616,0.69312463,4.554714966,9.663504204,4.47917335,23.86246548,10.70638323,20.0373239,12.40236206,13.95108418,8.742237502,6.506867578,1.887252434,4.028843004,1.998139156,0.368271978,1.12E-07,6.62E-36,7.52E-86,1.65E-157,6.96E-251,0,0,0,0,0,0,0,0,0,0,0,0.381510151,9.128997658,0.312999127,12.91769472,0.866978118,2.992337594,0.380172817,0.800302344,0.898577269,0.335539961,0.142737549,0.170019844,0.073044527,0.00259377,7.91E-10,4.66E-38,5.30E-88,1.16E-159,4.90E-253,0,0,0,0,0,0,0,0,0,0,0,1.231909993,9.164715003,1.051850437,14.56798708,2.248965957,5.720573521,1.528727165,2.785698063,1.973263481,1.221892294,0.383924391,0.659573654,0.298161218,0.02702908,8.25E-09,4.86E-37,5.52E-87,1.21E-158,5.11E-252,0,0,0,0,0,0,0,0,0,0,0,4.298724852,9.604820264,4.184659157,22.98591644,9.882406582,18.72815989,11.20455408,12.89873412,8.075841244,5.996985451,1.739804604,3.687145664,1.820911367,0.328123702,1.00E-07,5.90E-36,6.70E-86,1.47E-157,6.20E-251,0,0,0,0,0,0,0,0,0,0,0,1.816110459,9.211023912,1.592171292,15.87419406,3.383661627,7.816412122,2.704783139,4.356145443,2.867292635,1.941199897,0.583609518,1.084153293,0.502530801,0.058710773,1.79E-08,1.06E-36,1.20E-86,2.63E-158,1.11E-251,0,0,0,0,0,0,0,0,0,0,0,5.503109641,9.910262128,5.614435244,27.34241777,14.00882543,25.18623112,17.3616657,18.12821773,11.42103377,8.544696098,2.479340268,5.413739717,2.721749598,0.537090069,1.64E-07,9.65E-36,1.10E-85,2.40E-157,1.02E-250,0,0,0,0,0,0,0,0,0,0,0,2.970582748,8.012008829,2.375570044,17.47838065,5.293559693,11.60310854,5.103588654,7.211111952,4.90316289,3.35697789,1.105054309,2.134874817,1.005501125,0.133913701,4.09E-08,2.41E-36,2.73E-86,5.99E-158,2.53E-251,0,0,0,0,0,0,0,0,0,0,0,4.48829319,1.416154106,1.029780222,0.647266502,0.204226657,0.461702615,0.416600674,0.418604119,6.934227517,12.43639787,25.91602673,0.470899753,1.296907408,3.323653389,0.845421465,0.502428483,0.711474048,0.180974176,0.253673627,0.148782433,0.09991938,4.671503337,4.904549872,10.98782093,0.567211072,0.50237544,3.754496509,1.056840547,0.69790208,0.681490931,0.191830581,0.323376477,0.232260328,0.192657412,5.509239135,7.325746282,15.60419397,0.522236397,0.748294218,4.456041491,1.400376864,1.015217194,0.648468834,0.20379091,0.455103107,0.407380917,0.406890535,6.871635549,12.18567402,25.39240436,0.472703251,1.26937456,3.959354129,1.157234156,0.790674949,0.670251853,0.195900218,0.359505393,0.27837557,0.247162748,5.907263234,8.627458016,18.15751467,0.505377779,0.885043711,4.590533027,1.466161402,1.07593305,0.643596352,0.205556985,0.482939596,0.44650835,0.456813103,7.132627479,13.24706005,27.6212144,0.465394528,1.386261048,4.480007912,1.401308244,1.018161721,0.649325643,0.20310352,0.460037151,0.408043698,0.409332029,6.899477877,12.266003,25.55736986,0.473988465,1.277412877 +UMLRON0227,L,"4,7,7-trimethylbicyclo[4.1.0]hept-3-ene",CC1=CCC2C(C1)C2(C)C,26049,Co optima database valuese measured by NREL,Sandia,,C10H16,PubChem,,73.5,0,2.2961,5.27207521,46.4272,32.269446,0,0,32,10,22,0,10,0,0,0,0,0,0,0,0,0,1464.994618,1564.733025,2354.803262,2587.805317,1719.51999,881.354379,254.505888,27.433728,0,4919.011395,6335.857676,9534.063539,12471.28092,11792.24029,7323.683729,3184.273894,839.2610996,0,223.211368,224.452548,424.994936,578.034004,877.803864,800.501484,369.98208,181.398528,0,37.67048391,49.59807482,76.88901016,105.287399,114.2364213,79.12051331,36.04986215,12.00454843,0,5336.131905,4509.845254,9454.660266,12378.61092,20852.40749,20507.14227,9413.241332,4992.776605,0,53.625,63.1875,97,150.625,194.25,149.25,72,27,0,45.78108181,50.47525887,39.24672103,31.94821379,13.64698405,7.53294341,4.713072,1.016064,0,153.7191061,204.3825057,158.901059,153.9664311,93.58920865,62.59558742,58.96803508,31.08374443,0,6.97535525,7.240404774,7.083248933,7.136222272,6.966697333,6.841893026,6.85152,6.718464,0,1.177202622,1.599937897,1.281483503,1.299844432,0.906638264,0.676243703,0.66759004,0.444612905,0,166.754122,145.4788792,157.5776711,152.822357,165.4952976,175.2747203,174.3192839,184.917652,0,1.67578125,2.038306452,1.616666667,1.859567901,1.541666667,1.275641026,1.333333333,1,0,0.041966717,-0.012923191,0.021169914,-0.021287334,-0.036873229,0.019626779,-0.005280043,0.014583746,0,832.3288119,-57.22260582,361.3063706,-646.4735715,-734.9085078,384.4791614,-42.56226879,319.2170159,0,1547.750967,-106.407879,671.8646245,-1202.145212,-1366.593752,714.9554185,-79.14635629,593.5976722,0,0.1630475,-0.011209516,0.070777438,-0.126639734,-0.143963531,0.075316828,-0.008337656,0.062532422,0,6.919166958,-0.475692728,3.003547475,-5.374148427,-6.109309917,3.196183373,-0.353821038,2.653657782,0,37.58502473,-2.58397045,16.31531755,-29.19245955,-33.18586843,17.36171881,-1.921961492,14.41471119,0,4.8671875,-3.140869141,3.264648438,-0.913818359,-4.445800781,2.571533203,-1.252441406,1.483154297,0,0.00131146,-4.17E-04,3.53E-04,-2.63E-04,-2.93E-04,1.68E-04,-9.78E-05,5.40E-04,0,26.01027537,-1.84589051,6.021772843,-7.981155204,-5.832607204,3.286146679,-0.788190163,11.82285244,0,48.36721773,-3.432512226,11.19774374,-14.84129891,-10.84598216,6.110730072,-1.465673265,21.98509897,0,0.005095234,-3.62E-04,0.001179624,-0.001563454,-0.001142568,6.44E-04,-1.54E-04,0.002316016,0,0.216223967,-0.015344927,0.050059125,-0.066347511,-0.048486587,0.027317807,-0.006552241,0.098283622,0,1.174532023,-0.083353885,0.271921959,-0.360400735,-0.263379908,0.148390759,-0.035591879,0.533878192,0,0.152099609,-0.101318359,0.054410807,-0.011281708,-0.035284133,0.021978916,-0.023193359,0.054931641,0,-0.317872579,0.269037506,-0.200392398,-0.223144205,0.127911077,-0.074557047,0.411860671,0,-0.070967742,0.231515152,-0.30684624,-0.224242424,0.126340326,-0.03030303,0.454545455,0,-0.070967742,0.231515152,-0.30684624,-0.224242424,0.126340326,-0.03030303,0.454545455,0,-0.070967742,0.231515152,-0.30684624,-0.224242424,0.126340326,-0.03030303,0.454545455,0,-0.070967742,0.231515152,-0.30684624,-0.224242424,0.126340326,-0.03030303,0.454545455,0,-0.070967742,0.231515152,-0.30684624,-0.224242424,0.126340326,-0.03030303,0.454545455,0,-0.666131621,0.357731407,-0.074173157,-0.231980433,0.144503437,-0.152487961,0.361155698,0,1.853292003,0.721568783,1.450112466,1.236570519,0.624667043,0.90551829,1.03E-04,0,1.6,0.976969697,1.614365881,1.180952381,0.578088578,0.751515152,0,0,1.6,0.976969697,1.614365881,1.180952381,0.578088578,0.751515152,0,0,1.6,0.976969697,1.614365881,1.180952381,0.578088578,0.751515152,0,0,1.6,0.976969697,1.614365881,1.180952381,0.578088578,0.751515152,0,0,1.6,0.976969697,1.614365881,1.180952381,0.578088578,0.751515152,0,0,2.272873194,0.451150348,1.388343935,1.298478942,0.556282669,1.06153023,0,0,47.7611465,23.88057325,33.86571463,47.7611465,4.77611465,23.88057325,2.84E-14,0.175721461,0.017572146,-1.738855147,85.13587462,8.513587462,4.444248505,47.7611465,23.88057325,33.86571463,47.7611465,4.77611465,23.88057325,2.84E-14,0.175721461,0.017572146,-1.738855147,85.13587462,8.513587462,4.444248505,47.7611465,23.88057325,33.86571463,47.7611465,4.77611465,23.88057325,2.84E-14,0.175721461,0.017572146,-1.738855147,85.13587462,8.513587462,4.444248505,47.7611465,23.88057325,33.86571463,47.7611465,4.77611465,23.88057325,2.84E-14,0.175721461,0.017572146,-1.738855147,85.13587462,8.513587462,4.444248505,47.7611465,23.88057325,33.86571463,47.7611465,4.77611465,23.88057325,2.84E-14,0.175721461,0.017572146,-1.738855147,85.13587462,8.513587462,4.444248505,47.7611465,23.88057325,33.86571463,47.7611465,4.77611465,23.88057325,2.84E-14,0.175721461,0.017572146,-1.738855147,85.13587462,8.513587462,4.444248505,69.32808838,34.47237752,50.60975522,69.02142172,6.902142172,34.47237752,-0.383333333,0.111265474,0.011126547,-2.195836277,178.0017875,17.80017875,5.181793592,0,11.89,12.11015511,-0.156895477,0.064900215,5.519964112,10.47137978,9,31,31,31,9,0,0,0,0,0,24.050554,3.685071693,3.196666466,2.891796355,2.333552793,2.333552793,2.333552793,2.213145161,1.429638317,1.994564757,1.719985551,1.534928325,1.249629723,1.249629723,1.249629723,1.118952924,0.652214448,3.704150606,3.232469454,2.93708943,2.405454588,2.405454588,2.405454588,2.28286354,1.530272279,1.945750671,1.645262558,1.44607489,1.134540686,1.134540686,1.134540686,1.003759176,0.506874093,3.791083823,3.389740161,3.13433507,2.704236987,2.704236987,2.704236987,2.575785007,1.941945892,1.809042314,1.420985088,1.173087786,0.76031856,0.76031856,0.76031856,0.631234411,0.017565838,3.718367496,3.258858201,2.970400226,2.457539916,2.457539916,2.457539916,2.333575934,1.602916872,1.915268849,1.59724586,1.388423669,1.058262671,1.058262671,1.058262671,0.927542559,0.409265285,3.835249069,3.465814772,3.228395735,2.838982085,2.838982085,2.838982085,2.709206945,2.122631297,1.768581563,1.34998386,1.08479689,0.631337262,0.631337262,0.631337262,0.503902183,0.157210936,3.662363318,3.280384242,3.055352567,2.612600818,2.612600818,2.612600818,2.406744922,1.663270873,1.960696011,1.557664416,1.286237413,0.898315104,0.898315104,0.898315104,0.82543545,0.310394483,0,0,0,0,0,6,2,0,2,0,0,0,0,0,0,0,0,0,0,2.207106781,0.426776695,1.810660172,1.133883476,2.207106781,0.426776695,1.810660172,1.133883476,4.340990258,2.957106781,2.125,4.340990258,2.957106781,2.125,8.414213562,4.310660172,4.883883476,2.905330086,1,0.375,0,0,0.841421356,0.478962241,0.34884882,0.22348693,0.166666667,0.125,0,0,8.414213562,4.310660172,4.883883476,2.905330086,1,0.375,0,0,0.841421356,0.478962241,0.34884882,0.22348693,0.166666667,0.125,0,0,15.96010584,30.76620539,28.98039216,29.36,18.7840994,246.5681114,0.498753308,0.961443918,0.905637255,0.9175,0.587003106,7.705253481,3.8588,48.144,23.88057325,33.86571463,47.7611465,4.77611465,23.88057325,0.175721461,0.017572146,-1.738855147,85.13587462,8.513587462,4.444248505,70,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,6,0,2,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,13.93895833,0,2.625763889,0,0,0,0,0,0,0,0,0,0.935277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.257430556,0,1.295902778,0,0,0,0,0,0,0,0,0,0.447430556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.357638889,0,1.329861111,0,0,0,0,0,0,0,0,0,0.487847222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.5,1.75,0.2,2.357638889,0,0.447430556,7.51639125,0.802569444,0.357638889,3.877916667,0.802569444,0.357638889,3.877916667,5,0.5,0,0,0.425,0.7,0.425,0.425,0.7,0,0,0,0,0.71429,0,0,0.6,0,0.2,4.5,0.45,4.5,0.45,0,0,-4.5,-0.45,0,0,14.19323,1.41932,14.19323,0,0,4.31066,0.43107,4.31066,0,0,0.60334,0.06033,0.60334,0.06033,0,9,0,0,0,0,0,0,1,0.896038233,1.324460293,2.041615922,2.683964564,3.139097656,2.740507421,28.67322344,42.38272939,65.3317095,85.88686606,100.451125,87.69623748,0.179207647,0.264892059,0.408323184,0.536792913,0.627819531,0.548101484,4.103961767,3.675539707,2.958384078,2.316035436,1.860902344,2.259492579,0.180864499,0.2673411,0.412098309,0.541755796,0.633623994,0.55316892,6.667318507,11.80838324,15.24489004,17.55989927,18.01859379,13.23551098,39.63994499,30.47759989,27.14547142,23.09678058,22.7601496,22.71052538,10,2.93877551,2.650887574,10,0,6,2.56,1.5176,4.84060255,4.514485126,0,7.308366373,1,0,2.149139864,0,0,1,0,0,0,0,0,0,0,0,0,0.003,0.187,0.158,-0.031,-0.002,3.94,14,13,6,3,0,0,0,0,0,55,2.302585093,2.708050201,2.63905733,1.945910149,1.386294361,0,0,0,0,0,4.025351691,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,9,1,1,3,5,0.666666667,4.5,2.444444444,0.625,0.24,0,0,0,0,0,0,0.5,0.174603175,0.048076923,0.04,0,0,0,0,0,0,0.762680098,23.88057325,33.86571463,47.7611465,4.77611465,23.88057325,0.175721461,0.017572146,-1.738855147,85.13587462,8.513587462,4.444248505,0,181.516305,4.321928095,3.850147602,4.615120517,5.493061443,6.315358002,7.178545484,8.019283793,8.875846178,9.723104116,10.57681461,83.64728174,2.944438979,0,4.317488114,0,5.888877958,0,7.540621529,0,9.223157876,9.431321587,142.1721507,4.44287971,18.03090165,1.803090165,0,0,0,115,13,5.982,46,1.232032258,2.123799733,2.964030596,3.505057464,4.068560661,5.320690152,6.138480966,0,0,0,73.3510472,95.6481019,101.4896616,55.0120689,38.24406441,27.05873751,6.237089524,0,0,0,277.889902,371.9016166,473.9526789,348.6067838,285.6338871,328.6992288,190.8069735,0,0,0,8.95613516,15.11864085,21.18453703,24.4655715,27.94418367,36.52614544,41.24116338,0,0,0,2.112699944,2.92963371,3.95462057,3.303581441,2.968529868,3.67157633,2.729247854,0,0,0,177.010611,329.2938716,450.7367657,576.693972,704.832471,921.8171816,1135.113487,0,0,0,2.548856855,3.604014064,5.60352265,5.507210241,5.441531004,7.272951349,6.138480966,0,0,0,0.438284758,0.613031029,0.834298335,0.713133125,0.651996214,0.813469812,0.628580451,0,0,0,400.3869516,211.5066052,9.510148097,151.5196027,-80.04106194,-9.167202955,248.8673489,291.5476671,18.67735105,0.725461491,0.383229015,0.017231446,0.274538509,-0.145026475,-0.016610064,220.9761829,116.7318817,5.248713068,83.62466186,-44.1751867,-5.059439396,0.051209152,0.123537081,0.623068232,8.042104418,551.9065544,0,1,0,558.7341223,23.63755745,8.236355148,771.8489161,27.78216903,9.17298675,1126.102899,33.55745668,10.4038167,1.499478194,1.243862349,631.5084065,605.0143385,249.526382,1.04379081,2.530828209,2.424650787,4.493549298,4.466158665,7.63628977,0.709811572,6.135812176,8.536858558,3.885038297,48.09540059,7.509458453,11.20679387,16.66887066,28.44076326,13.32699959,7.283448613,6.160632219,0.747575042,2.359766293,1.267677842,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.514936198,8.536278346,0.205439764,15.80344292,4.016058066,0.229708513,1.220603289,1.512856686,2.246382751,0.174340129,0.14036759,0.012978944,0.133620008,0.008928359,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.662276818,8.536317983,0.742654393,20.89730617,4.281972946,1.209767596,3.561339821,5.298741099,3.415899431,0.850231258,0.700650487,0.062150911,0.473789074,0.093040381,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,5.791706176,8.536795162,3.584115833,45.58870395,7.137403664,10.08882673,15.43567344,26.18707583,12.262242,6.573983578,5.555553958,0.666952824,2.183070706,1.129478135,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.449890184,8.536368589,1.174937788,24.83875612,4.597287013,2.25684509,5.409455134,8.405567,4.543054564,1.544391007,1.283782807,0.125828037,0.741223166,0.202096141,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,7.409881809,8.537124935,5.085125071,57.97812508,9.066624236,15.8524746,21.56124026,37.4722902,17.7080574,10.22166916,8.669517606,1.086561598,3.059875882,1.848788995,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.824921876,6.562090487,1.53526483,30.61768862,5.75080019,4.282942645,8.385133855,13.79632426,6.561229203,2.801399475,2.422208782,0.251885168,1.267467268,0.413935622,1.17E-06,2.61E-33,1.12E-81,9.26E-152,1.48E-243,0,0,0,0,0,0,0,0,0,0,0,4.249048998,1.549222616,1.349596884,0.5944498,0.216739104,0.434330949,0.46905081,0.535626668,7.147868498,14.40805211,30.43994279,0.3916747,1.439008427,3.471563789,0.970621954,0.784270207,0.664229034,0.185713218,0.291472373,0.185419697,0.180877894,5.226455951,6.853449962,14.722564,0.496343552,0.657769964,3.789628986,1.20755265,1.015637549,0.630258265,0.200829696,0.346512249,0.286159011,0.303341308,6.012819185,9.651501833,20.31205773,0.445387397,0.936012569,4.230710149,1.535595745,1.336270976,0.595658481,0.216202622,0.430637082,0.460911306,0.525101344,7.10257687,14.20200771,29.98588345,0.393487721,1.416649732,3.927385555,1.310068047,1.11580241,0.618168943,0.206204196,0.371812715,0.336387072,0.366124379,6.353256012,10.98910568,23.08332389,0.427253415,1.074324166,4.306179675,1.591668229,1.391108365,0.590781384,0.218367098,0.445938804,0.494852238,0.569083485,7.288956268,15.05855493,31.88218097,0.386172077,1.509874526,4.239106796,1.53988343,1.340473904,0.595424981,0.216292041,0.432299857,0.463411214,0.528409705,7.119464129,14.2743159,30.14403216,0.393137472,1.424120776 +UMLRON0228,L,"2,2,3,3-Tetramethylhexane",CCCC(C)(C)C(C)(C)C,26057,,"Sandia, UML","[1], [4]",C10H22,PubChem,,112.8,0,2.0212,4.08524944,38.0151,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1323.6122,1862.405843,1527.491119,647.003282,121.24224,6.096384,0,0,3823.307636,4994.447843,7462.645179,8063.3099,5166.78684,1663.902797,186.5024666,0,0,154.382624,159.970976,299.999756,412.190332,489.033416,218.184192,40.310784,0,0,28.53578067,37.90082034,59.17739096,70.29267716,53.64830697,19.5790642,2.667677429,0,0,3603.201977,3158.070517,6427.692835,8982.966365,12186.23399,5663.00403,1109.505912,0,0,38.3125,46,74.125,103,96.75,40,6,0,0,53.10626655,60.16419091,44.34299626,26.33605378,9.112722282,3.78882,1.016064,0,0,173.7867107,227.0203565,177.6820281,139.0225845,72.77164563,51.99696242,31.08374443,0,0,7.017392,7.271408,7.142851333,7.106729862,6.887794592,6.818256,6.718464,0,0,1.297080939,1.722764561,1.408985499,1.21194271,0.755609957,0.611845756,0.444612905,0,0,163.781908,143.5486599,153.0403056,154.8787304,171.6370984,176.9688759,184.917652,0,0,1.741477273,2.090909091,1.764880952,1.775862069,1.362676056,1.25,1,0,0,0.042557751,-0.003936406,-0.004238782,-0.026878995,0.001263191,0.004487074,0.008025043,0,0,616.3360458,5.47E-13,67.03655044,-689.3758694,58.03164068,160.0872846,96.05237078,0,0,1146.103196,1.85E-13,124.6573281,-1281.923867,107.9123139,297.6891417,178.613485,0,0,0.120736,1.75E-15,0.013132,-0.135044,0.011368,0.03136,0.018816,0,0,5.123614541,1.03E-14,0.557276257,-5.730796134,0.482418252,1.330808972,0.798485383,0,0,27.8315555,-2.31E-14,3.027133472,-31.12977556,2.620503603,7.228975456,4.337385273,0,0,3.309659091,-0.985795455,0.937241736,-2.753873967,0.642691116,0.095041322,0.409865702,0,0,0.001934443,-1.79E-04,-1.01E-04,-4.63E-04,1.78E-05,1.40E-04,0.001337507,0,0,28.01527481,2.49E-14,1.596108344,-11.88579085,0.817347052,5.002727645,16.00872846,0,0,52.0955998,8.40E-15,2.968031621,-22.10213563,1.519891745,9.302785679,29.76891417,0,0,0.005488,7.96E-17,3.13E-04,-0.002328345,1.60E-04,9.80E-04,0.003136,0,0,0.23289157,4.67E-16,0.013268482,-0.09880683,0.006794623,0.04158778,0.133080897,0,0,1.265070705,-1.05E-15,0.072074606,-0.536720268,0.036908501,0.225905483,0.722897546,0,0,0.15043905,-0.044808884,0.022315279,-0.047480586,0.009051988,0.002970041,0.06831095,0,0,-0.092495628,-0.052171796,-0.239568128,0.009197178,0.072486518,0.691417078,0,0,8.88E-16,0.056972789,-0.424261084,0.02917505,0.178571429,0.571428571,0,0,1.61E-16,0.056972789,-0.424261084,0.02917505,0.178571429,0.571428571,0,0,1.45E-14,0.056972789,-0.424261084,0.02917505,0.178571429,0.571428571,0,0,2.00E-15,0.056972789,-0.424261084,0.02917505,0.178571429,0.571428571,0,0,-8.30E-16,0.056972789,-0.424261084,0.02917505,0.178571429,0.571428571,0,0,-0.297854077,0.148334355,-0.315613438,0.060170465,0.019742489,0.454077253,0,0,1.315923818,1.05216294,1.283509663,0.767124357,0.853100092,0.275039961,0,0,1.3125,1.080357143,1.493534483,0.75528169,0.515625,0,0,0,1.3125,1.080357143,1.493534483,0.75528169,0.515625,0,0,0,1.3125,1.080357143,1.493534483,0.75528169,0.515625,0,0,0,1.3125,1.080357143,1.493534483,0.75528169,0.515625,0,0,0,1.3125,1.080357143,1.493534483,0.75528169,0.515625,0,0,0,1.622317597,0.793133047,1.43584431,0.751242217,0.793133047,0,0,0,30.41872277,14.64438648,21.67150193,30.41872277,3.802340346,14.64438843,3.55E-15,0.013877346,0.001734668,-3.421998015,63.76552206,7.970690258,3.32417011,30.41872277,14.64438648,21.67150193,30.41872277,3.802340346,14.64438843,3.55E-15,0.013877346,0.001734668,-3.421998015,63.76552206,7.970690258,3.32417011,30.41872277,14.64438648,21.67150193,30.41872277,3.802340346,14.64438843,3.55E-15,0.013877346,0.001734668,-3.421998015,63.76552206,7.970690258,3.32417011,30.41872277,14.64438648,21.67150193,30.41872277,3.802340346,14.64438843,3.55E-15,0.013877346,0.001734668,-3.421998015,63.76552206,7.970690258,3.32417011,30.41872277,14.64438648,21.67150193,30.41872277,3.802340346,14.64438843,3.55E-15,0.013877346,0.001734668,-3.421998015,63.76552206,7.970690258,3.32417011,30.41872277,14.64438648,21.67150193,30.41872277,3.802340346,14.64438843,3.55E-15,0.013877346,0.001734668,-3.421998015,63.76552206,7.970690258,3.32417011,41.64513019,18.85379684,28.33021856,41.58263019,5.197828774,18.85379689,-0.25,0.062029048,0.007753631,-2.224121986,42.7552473,5.344405912,3.004393545,0,11.9,12.10012615,-0.1626036,0.045727622,6.5103125,9.153129026,8,22,21,21,7,1,1,0,0,1,15.304898,3.701405975,3.074060261,2.694635614,2.333552793,2.095829371,1.402929947,0.781504257,0.43899517,2.003119863,1.547081913,1.30148305,1.249629723,0.963455795,0.608062879,0.262618673,0.083923071,3.720715986,3.102863119,2.73590217,2.405454588,2.161465757,1.501307439,0.910174907,0.55032058,1.956657898,1.473684001,1.215171467,1.134540686,0.851471552,0.464166799,0.096114831,0.270913902,3.807186078,3.236096231,2.918361619,2.704236987,2.439539482,1.905896282,1.425957099,0.964951906,1.824784215,1.263832741,0.954716716,0.76031856,0.492550127,0.019521787,0.481883876,0.943918427,3.73502032,3.124457242,2.766404588,2.457539916,2.209351642,1.572477963,1.002696298,0.627964355,1.927512589,1.427328533,1.159558004,1.058262671,0.777644064,0.367568651,0.016902905,0.399277246,3.850330056,3.304320508,3.006878834,2.838982085,2.567277066,2.084195336,1.644806605,1.207644823,1.785018404,1.201397464,0.872125853,0.631337262,0.370985056,0.191798181,0.696157134,1.129631993,3.731279057,3.213847491,2.759802377,2.629038207,2.280670796,1.650508667,1.170235325,0.636603696,1.939630493,1.330233001,1.119144689,0.883583662,0.675762591,0.245524954,0.194621046,0.581818182,0,0,0,2,0,2,3,0,1,0,0,0,0.088388348,0.176776695,0,0,0,0.058925565,0.11785113,1.207106781,0.25,0,0,1.207106781,0.25,0,0,1.207106781,1.457106781,1.207106781,1.09635267,1.158217917,0.823466593,6.035533906,3.707106781,3.724873734,2.207106781,1.508883476,1.030330086,0.353553391,0,0.754441738,0.463388348,0.338624885,0.220710678,0.150888348,0.103033009,0.088388348,0,5.776020882,3.356936695,3.378417363,1.824884584,1.09635267,0.686886724,0.23570226,0,0.72200261,0.419617087,0.307128851,0.182488458,0.109635267,0.068688672,0.058925565,0,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.67889,36.502,29.99704517,41.45422905,59.99409034,7.499261292,29.99704517,0.157950336,0.019743792,-1.476379698,43.07086986,5.383858732,3.010277516,52,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,2,0,3,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.578125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.581388889,0,0,1.275208333,0.580555556,0,0.581388889,0,0,0,0,0,0,0,0,4.659722222,0,3.920138889,0,4.578125,0,0,0,0,0,0,0,0.592013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.282986111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.285069444,0,0,0.225625,0.290277778,0,0.285069444,0,0,0,0,0,0,0,0,2.329861111,0,1.270833333,0,2.282986111,0,0,0,0,0,0,0,0.592013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.295138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.296319444,0,0,0.290277778,0.290277778,0,0.296319444,0,0,0,0,0,0,0,0,2.329861111,0,1.364583333,0,2.295138889,0,0,0,0,0,0,0,0.592013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.75,1.71875,0.296319444,2.329861111,0.043402778,0.592013889,5.329425347,0.657986111,0.329861111,2.475694444,0.657986111,0.329861111,2.475694444,4,0.5,0,0,0.44545,0.7,0.43333,0.43333,0.7,0.01212,0.01212,0,0,0.71429,0,0,0.25,0,0.125,5,0.625,4,0.5,1,0.125,-3,-0.375,0,0,7.58312,0.94789,8.72242,1.1393,0.14241,3.16421,0.39553,3.70711,0.54289,0.06786,0.20689,0.02586,0.29289,0.03661,0.272727273,8,0,0,0,0,0,0,0.75,0.945660305,2.140361164,3.027169118,3.299896391,3.299896391,3.299896391,20.8045267,47.0879456,66.59772061,72.59772061,72.59772061,72.59772061,0.212058483,0.479962773,0.67882398,0.739981386,0.739981386,0.739981386,3.513771314,2.319070455,1.4322625,1.159535227,1.159535227,1.159535227,0.209052139,0.473158362,0.669200322,0.729490703,0.729490703,0.729490703,6.786633838,16.98428097,18.87731686,20.15146687,19.15217823,19.15217823,31.28312609,20.10697888,18.52665107,16.65444051,17.77236397,17.77236397,6.125,2.082644628,1.8,0,2,0,2.34,1.0842,0.5,3.701071725,0,2,6.083643419,0,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.144,0.135,0.298,0.363,3.65,11,10,10,10,4,0,0,0,0,61,2.302585093,2.63905733,2.63905733,2.833213344,2.995732274,2.197224577,0,0,0,0,4.465908119,1.409836066,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,2.5,0.888888889,0.375,0.222222222,0,0,0,0,0,0,0.3125,0.080808081,0.053571429,0.111111111,0,0,0,0,0,0,0.55799062,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,0,131.9314183,4,3.663561646,4.394449155,5.241747015,5.993961427,6.842683282,7.601402335,8.449556543,9.210440367,10.05813811,77.45593988,2.833213344,0,4.110873864,0,5.59471138,0,7.158513997,0,8.750999691,8.981304495,110.1095504,5.004979566,15.45878878,1.932348597,0,0,0,59,7,4.012,38,1.276771826,2.239765072,3.107593439,3.718190168,4.437721623,5.322540479,0,0,0,0,90.7333143,113.7066162,86.6472419,35.81610905,16.98984713,5.408041769,0,0,0,0,322.3706443,436.7156165,447.2622505,280.3095503,232.076401,165.444488,0,0,0,0,9.328462506,16.07666839,22.12545347,25.64915564,30.26386063,35.7592966,0,0,0,0,2.376007862,3.385151491,3.863825434,2.881716655,2.725823364,2.366470183,0,0,0,0,180.50628,337.2787613,478.2887137,635.1227197,784.8337206,984.2316882,0,0,0,0,2.73407165,4.129274872,5.62369556,5.165705128,5.563031418,5.322540479,0,0,0,0,0.490118016,0.705617653,0.819825944,0.630986166,0.609265322,0.545028145,0,0,0,0,277.1007766,120.1362906,9.032280662,60.97893518,-26.43725206,-4.567420701,216.1218414,146.5735427,13.59970136,0.819631486,0.355349009,0.026716423,0.180368514,-0.07819828,-0.013509893,93.6821507,40.6156425,3.053630843,20.61574083,-8.937898557,-1.544152274,0.131272656,0.202739484,3.856538597,5.527890892,338.0797118,0,1,0,485.3792168,22.03132354,7.8588752,621.4223465,24.92834424,8.533534635,831.6015789,28.83750299,9.403837195,1.556659839,1.554050303,350.4959186,306.9700083,163.5858945,1.141792061,2.142580322,1.876506585,3.85296323,3.995698619,6.281368163,0.572032519,4.068069812,5.159307693,5.050433032,17.10243962,11.49021765,13.68727211,10.93508635,9.05688011,1.062494499,2.630180134,1.414137644,0.008396133,3.73E-23,3.20E-65,5.28E-129,1.68E-214,1.033E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0.341538112,4.167431911,0.43384897,6.419183829,4.166568337,2.371175584,0.458570876,1.498764681,0.060582576,0.057613249,0.00995989,5.91E-05,2.63E-25,2.25E-67,3.72E-131,1.19E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,0,1.102202679,4.233711431,1.213659016,8.062008726,5.257232817,4.196619341,1.711436227,2.637058021,0.214403561,0.293466707,0.10378971,6.16E-04,2.74E-24,2.35E-66,3.88E-130,1.24E-215,7.4E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,3.839934212,5.050408566,4.710310207,16.25814294,10.89885937,12.82313959,9.980420397,8.451086374,0.983225514,2.370358017,1.259971184,0.007480803,3.32E-23,2.85E-65,4.70E-129,1.50E-214,9.2E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,1.624375058,4.319645936,1.797233632,9.349456909,6.125969532,5.593561439,2.834446383,3.538558947,0.335047932,0.541260673,0.225445112,0.001338531,5.95E-24,5.09E-66,8.42E-130,2.68E-215,1.63E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,4.912753255,5.617213735,6.375040393,20.44453363,13.842128,17.08134273,14.82551464,11.4623311,1.376353053,3.708374123,2.062386841,0.012244971,5.44E-23,4.66E-65,7.70E-129,2.45E-214,1.507E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,2.471048682,3.785168866,2.829815155,11.10475888,7.334163931,8.052027058,4.64071623,5.601190962,0.593470729,1.062461003,0.478703137,0.002842195,1.26E-23,1.08E-65,1.79E-129,5.70E-215,3.5E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,2.91104785,1.534470236,1.076380767,0.527182393,0.277888146,0.454044262,0.469054709,0.416335036,5.521898852,9.251986446,19.58198807,0.290773589,1.339434007,2.272608994,0.941929778,0.54596223,0.604336761,0.250479864,0.276619503,0.175599391,0.107742267,3.760501001,3.895654839,8.824863381,0.406505141,0.559961161,2.514859335,1.168056351,0.748321559,0.567529833,0.263595986,0.338560503,0.270855227,0.201972711,4.431237244,5.693502624,12.32293251,0.35129475,0.811388442,2.894051601,1.518838192,1.062374486,0.528568386,0.277399978,0.448721948,0.459500986,0.405634678,5.475264279,9.083737629,19.22877106,0.292852578,1.313857612,2.627497033,1.272660405,0.841935798,0.554079581,0.268375239,0.369583392,0.321927626,0.255399405,4.742093236,6.627593603,14.18504558,0.331119371,0.946910424,2.964680808,1.583747589,1.120541491,0.522966406,0.279371318,0.471058629,0.499805726,0.450973178,5.668969888,9.792008819,20.72226398,0.284449609,1.421837532,2.906781131,1.517918007,1.065046366,0.529492875,0.276500615,0.452577937,0.459193843,0.407754054,5.489745503,9.124765155,19.31376726,0.294239313,1.319525834 +UMLRON0229,L,"4,4-dimethylcyclohexene",CC1(CCC=CC1)C,26445,,UML,[1],C8H14,PubChem,,96.2,0,0.4036,0.16289296,33.9281,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1311.595663,1090.715309,849.680164,646.827051,450.070322,143.338608,15.24096,3885.475125,4800.404174,6060.218294,6004.453783,4921.312267,3728.011456,2721.213111,1572.940224,466.2561665,167.819552,166.665724,297.509884,365.04626,374.068624,270.87294,207.98804,145.478592,100.77696,29.42500648,37.33900896,51.13810539,54.24031728,46.76487335,35.07566706,26.0541382,16.69511646,6.669193573,3973.037281,3337.521256,6596.59581,8403.043401,9117.157939,6528.696872,5049.741717,3533.524545,2773.76478,44.77777778,50.58333333,72.66666667,87.58333333,78.33333333,60.16666667,48.5,35,15,48.76541633,52.3287937,31.22846817,20.9752944,15.73481785,16.585309,15.00234407,6.825648,1.016064,161.8947969,208.713225,144.2909118,115.4702651,91.13541236,95.59003733,90.70710369,74.90191545,31.08374443,6.992481333,7.246335826,7.083568667,7.020120385,6.927196741,6.94546,6.932934667,6.927552,6.718464,1.226041937,1.623435172,1.217573938,1.043083025,0.866016173,0.899376078,0.868471273,0.795005546,0.444612905,165.54322,145.1096198,157.061805,161.5969885,168.8362581,167.4024839,168.3247239,168.2630736,184.917652,1.865740741,2.199275362,1.73015873,1.684294872,1.450617284,1.542735043,1.616666667,1.666666667,1,0.047606822,-0.004326056,-0.012636488,-0.020972032,0.011109566,0.00223103,7.24E-05,-0.012320079,0.013038287,645.6853813,-53.80711511,-121.066009,-269.0355756,80.71067267,-2.17E-13,-2.17E-13,-161.4213453,201.7766817,1200.679538,-100.0566282,-225.1274134,-500.283141,150.0849423,1.42E-13,1.42E-13,-300.1698846,375.2123557,0.126485333,-0.010540444,-0.023716,-0.052702222,0.015810667,-7.38E-16,-7.24E-16,-0.031621333,0.039526667,5.367596186,-0.447299682,-1.006424285,-2.236498411,0.670949523,-2.69E-15,-2.69E-15,-1.341899046,1.677373808,29.15686767,-2.429738973,-5.466912688,-12.14869486,3.644608459,2.73E-14,2.73E-14,-7.289216918,9.111521147,5.592592593,-1.308641975,0.898148148,-2.570987654,0.388888889,-0.101851852,1.009259259,-2.268518519,1.157407407,0.001983618,-1.88E-04,-3.01E-04,-4.03E-04,2.06E-04,5.72E-05,2.41E-06,-5.87E-04,8.69E-04,26.90355756,-2.339439787,-2.882524024,-5.173761068,1.494642086,-5.56E-15,-7.22E-15,-7.68673073,13.45177878,50.0283141,-4.350288182,-5.36017651,-9.620829634,2.779350783,3.64E-15,4.74E-15,-14.29380403,25.01415705,0.005270222,-4.58E-04,-5.65E-04,-0.001013504,2.93E-04,-1.89E-17,-2.41E-17,-0.001505778,0.002635111,0.223649841,-0.019447812,-0.023962483,-0.043009585,0.012424991,-6.90E-17,-8.97E-17,-0.063899955,0.111824921,1.214869486,-0.105640825,-0.130164588,-0.233628747,0.067492749,7.00E-16,9.10E-16,-0.347105568,0.607434743,0.233024691,-0.056897477,0.02138448,-0.04944207,0.007201646,-0.002611586,0.033641975,-0.108024691,0.077160494,-0.094821409,-0.151676793,-0.203319586,0.103715914,0.02883918,0.001215969,-0.295757824,0.438198937,-0.086956522,-0.107142857,-0.192307692,0.055555556,-2.07E-16,-2.69E-16,-0.285714286,0.5,-0.086956522,-0.107142857,-0.192307692,0.055555556,7.28E-17,9.47E-17,-0.285714286,0.5,-0.086956522,-0.107142857,-0.192307692,0.055555556,-3.59E-15,-4.58E-15,-0.285714286,0.5,-0.086956522,-0.107142857,-0.192307692,0.055555556,-3.09E-16,-4.01E-16,-0.285714286,0.5,-0.086956522,-0.107142857,-0.192307692,0.055555556,5.76E-16,7.49E-16,-0.285714286,0.5,-0.244169306,0.091769158,-0.212175242,0.030905077,-0.011207336,0.144370861,-0.463576159,0.331125828,1.42516029,1.204727669,1.140629057,0.753005874,0.862985534,0.989666076,1.329239531,0.092484987,1.5,1.232142857,1.202524038,0.798611111,0.884615385,0.8625,1.129464286,0,1.5,1.232142857,1.202524038,0.798611111,0.884615385,0.8625,1.129464286,0,1.5,1.232142857,1.202524038,0.798611111,0.884615385,0.8625,1.129464286,0,1.5,1.232142857,1.202524038,0.798611111,0.884615385,0.8625,1.129464286,0,1.5,1.232142857,1.202524038,0.798611111,0.884615385,0.8625,1.129464286,0,1.624172185,0.618791391,1.331316862,0.710816777,0.922694855,0.931043046,1.958372753,0,39.11172033,19.55586017,31.45134926,39.11172033,4.888965041,19.55586018,-7.11E-15,0.119590444,0.014948806,-1.698945869,35.74914687,4.468643358,2.861221124,39.11172033,19.55586017,31.45134926,39.11172033,4.888965041,19.55586018,-7.11E-15,0.119590444,0.014948806,-1.698945869,35.74914687,4.468643358,2.861221124,39.11172033,19.55586017,31.45134926,39.11172033,4.888965041,19.55586018,-7.11E-15,0.119590444,0.014948806,-1.698945869,35.74914687,4.468643358,2.861221124,39.11172033,19.55586017,31.45134926,39.11172033,4.888965041,19.55586018,-7.11E-15,0.119590444,0.014948806,-1.698945869,35.74914687,4.468643358,2.861221124,39.11172033,19.55586017,31.45134926,39.11172033,4.888965041,19.55586018,-7.11E-15,0.119590444,0.014948806,-1.698945869,35.74914687,4.468643358,2.861221124,39.11172033,19.55586017,31.45134926,39.11172033,4.888965041,19.55586018,-7.11E-15,0.119590444,0.014948806,-1.698945869,35.74914687,4.468643358,2.861221124,52.80344388,26.18505528,43.14011896,52.47844388,6.559805486,26.18505528,-0.433333333,0.159749533,0.019968692,-1.46731849,40.15791586,5.019739483,2.954255663,0,11.89,12.11011416,-0.173302395,0.049687067,5.13829153,7.665592601,7,23,22,22,6,1,1,0,0,1,17.491312,3.539105243,3.258370555,2.75516202,2.244829288,2.113690229,1.557472295,1.181034084,0.424404601,1.908875758,1.724610087,1.425824394,1.138280193,1.019916385,0.72464196,0.544458046,0.083923071,3.562541743,3.290012753,2.802551637,2.314357344,2.181915347,1.652735799,1.30063981,0.536926659,1.852197606,1.656997447,1.333508773,1.025523799,0.903077781,0.584444905,0.389533465,0.270913902,3.668413336,3.428986552,3.008710997,2.604787935,2.472117559,2.04345003,1.772732791,0.963715902,1.690070444,1.456664232,1.049161401,0.659504785,0.527578272,0.115504894,0.142997915,0.943918427,3.57996308,3.31332112,2.837395018,2.36482508,2.231768889,1.721536562,1.385840592,0.616167369,1.816480241,1.613804056,1.273548747,0.950827409,0.825924162,0.490519126,0.284773249,0.399277246,3.721530429,3.496452411,3.106857167,2.736329812,2.605789904,2.215796659,1.973080179,1.207644823,1.641167714,1.393818373,0.956974617,0.533742098,0.400440609,0.050878183,0.338785877,1.134156552,3.649270241,3.316572821,2.861491394,2.581905657,2.275935088,1.753404805,1.436946794,0.676941018,1.855165481,1.563612028,1.213388294,0.844104109,0.642486147,0.413793524,0.201736417,0.545454545,0,0,1,0,1,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.25,0,0,0,0.288675135,0.204124145,0.144337567,0.176776695,0.125,0.088388348,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,6.035533906,3.414213562,2.414213562,1.207106781,0.676776695,0.338388348,0.213388348,0,0.754441738,0.487744795,0.344887652,0.241421356,0.169194174,0.112796116,0.106694174,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,5,2,0,1,0,0,0,0,0,0,0,0,2,1,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.1449452,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.356772959,0,0,0,1.188296485,0.580555556,0,0.356772959,0,0,0,0,0,0,0,0,4.313573318,3.826935941,5.208148148,0,0,0,0,0,0,1.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.356772959,0,0,0,0.212046485,0.290277778,0,0.356772959,0,0,0,0,0,0,0,0,2.092916667,3.826935941,1.216111111,0,0,0,0,0,0,1.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.826935941,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.356772959,0,0,0,0.290277778,0.290277778,0,0.356772959,0,0,0,0,0,0,0,0,2.220656652,3.826935941,1.354027778,0,0,0,0,0,0,1.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66666667,1.833333333,0.356772959,3.826935941,0.064652778,1.216111111,5.404917405,0.348657407,0.826935941,2.281018519,0.348657407,0.826935941,2.281018519,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.375,0.125,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.0764,0.88455,8.40872,1.33232,0.16654,3.22875,0.40359,3.77005,0.5413,0.06766,0.14395,0.01799,0.14395,0.01799,0,7,0,0,0,0,0,0,0.75,0.918295834,2.082551817,3.375814584,3.573934896,3.371653522,3.378733731,22.03910002,49.98124361,81.01955001,85.77443751,80.91968454,81.08960954,0.200284263,0.45421349,0.73627965,0.77949054,0.735372104,0.736916328,3.666666667,2.502410684,1.209147917,1.011027604,1.213308978,1.20622877,0.200284263,0.45421349,0.73627965,0.77949054,0.735372104,0.736916328,6.73287657,16.72064472,20.20180045,18.22369792,18.01983369,18.10479619,31.59900002,19.42915877,15.6149125,17.71867188,18.35350563,13.89598688,8,5.142857143,7.2,8,2,7,2.34,1.1928,0.721124785,4.146039495,1.754410643,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.104,0.088,0.143,0.175,3.636,7,5,4,3,2,0,0,0,0,36,2.197224577,2.302585093,1.945910149,1.791759469,1.609437912,1.386294361,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,0,144.287877,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,112.1252005,4.671883355,14.66595917,1.833244896,0,0,0,79,5,4.019,28,1.226391304,2.124982577,2.913682593,3.59020099,4.707679399,5.788273043,6.813690802,7.783973498,0,0,74.73814722,75.24462153,70.57482386,70.69443806,92.68523106,99.9600607,49.91676879,7.909015248,0,0,280.6431588,331.8074668,361.725961,372.6521964,498.5821151,568.0757762,536.069863,241.9550429,0,0,8.920641989,15.10881206,20.5047046,24.99277592,32.83473137,40.24967507,47.32488478,52.29634572,0,0,2.124868553,2.740518407,3.188233503,3.401522377,4.551334499,5.306566586,5.622523323,3.460855068,0,0,175.8569114,329.7120941,467.3281188,597.0382083,777.7649404,965.3525927,1136.72008,1439.394103,0,0,2.764554348,3.827420194,5.025094693,5.423909313,7.572205855,9.673019565,11.67702254,7.783973498,0,0,0.4404825,0.577800983,0.680027566,0.731117061,0.977737305,1.144570415,1.231119261,0.797078886,0,0,406.4926369,194.8271203,11.88978728,166.6149554,-79.85658046,-10.87166135,239.8776815,274.6837008,22.76144863,0.709278052,0.339948594,0.02074617,0.290721948,-0.139339596,-0.018969669,232.9640165,111.6569019,6.814127364,95.48829596,-45.76641256,-6.23063166,0.111481197,0.208038405,3.511858013,4.344238128,573.1075924,0,1,0,457.3961477,21.38682182,7.704849633,612.8133496,24.75506715,8.493944243,723.0906222,26.8903444,8.975615566,2.070431731,2.070431731,789.3906172,732.0631161,77.38613036,1.078309506,10.20067309,9.459874951,4.460178277,4.466158665,8.866384695,0.985237283,4.625737202,5.862558327,5.36475223,20.27076062,6.193000528,3.953833738,4.663894636,9.834924744,10.10135279,0.668025582,6.112125077,3.605516397,5.130744551,2.052163217,4.104155385,0.091253426,0.335545995,7.34E-18,3.09E-56,2.52E-116,3.95E-198,1.20E-301,0,0,0,0,0,0,0,0,0.388216777,5.862268046,0.237110247,6.672690133,0.057166125,0.186886709,0.588322829,0.345612278,3.85198445,0.032876877,0.080997035,1.224221614,0.268240324,1.029277365,0.056695188,6.46E-04,0.002363278,5.17E-20,2.18E-58,1.77E-118,2.78E-200,8.42E-304,0,0,0,0,0,0,0,0,1.253185036,5.862288025,0.905849138,7.803277949,0.488791452,0.698619526,1.302915944,1.430399237,4.846228275,0.121408404,0.543759597,1.668980999,0.972887867,1.237625798,0.372617835,0.006705108,0.024627178,5.38E-19,2.27E-57,1.85E-117,2.90E-199,8.77E-303,0,0,0,0,0,0,0,0,4.366319238,5.862526662,4.917145322,18.85632583,5.526986932,3.632241687,4.372887835,8.952521357,9.619226073,0.614596802,5.47109784,3.445119836,4.731218437,1.989385673,3.675863129,0.081307202,0.298965441,6.54E-18,2.76E-56,2.24E-116,3.52E-198,1.06E-301,0,0,0,0,0,0,0,0,1.84695863,5.862313401,1.477130333,9.067845864,1.028809914,1.126270537,1.828295851,2.428102553,5.612294666,0.194390672,1.089561478,1.986561251,1.542087776,1.38078241,0.740992695,0.014557089,0.053493521,1.17E-18,4.93E-57,4.01E-117,6.30E-199,1.91E-302,0,0,0,0,0,0,0,0,5.586245157,5.862691341,7.17384129,26.16855998,8.988656291,5.247847869,5.788485618,13.44436894,11.99947672,0.88236355,8.794175591,4.215987353,6.725649645,2.284778705,5.894883972,0.133074868,0.489362299,1.07E-17,4.51E-56,3.67E-116,5.76E-198,1.74E-301,0,0,0,0,0,0,0,0,2.63514794,4.589803291,2.07057546,10.96531918,1.911995613,1.693012552,2.211604445,3.484312241,7.059796417,0.253339235,1.892996826,3.261822986,2.748035826,1.777017358,1.32861379,0.027161262,0.099831866,2.18E-18,9.21E-57,7.49E-117,1.18E-198,3.56E-302,0,0,0,0,0,0,0,0,7.554660235,1.134511903,0.414643513,0.829834492,0.124619385,0.558467684,0.483971085,0.499982783,9.103815651,12.17376082,24.83142463,0.744751738,1.542421553,6.465788702,0.601925496,0.089390603,0.903408415,0.084101814,0.409448378,0.1386788,0.02323748,7.1571048,4.5237103,12.02871645,0.855112622,0.571364658,6.898007479,0.813697182,0.218570501,0.869832047,0.102606425,0.465814447,0.251675374,0.138927556,7.930275162,7.298440401,16.45552758,0.804748071,0.856417377,7.527679316,1.121350092,0.406591167,0.831271502,0.123829182,0.554493733,0.473019583,0.480752088,9.055620575,11.95778286,24.44550611,0.746907253,1.508265404,7.09077347,0.907984247,0.276151299,0.856900475,0.109727399,0.492135206,0.31239214,0.221768307,8.274909016,8.647177942,18.70003479,0.785350713,1.026295653,7.639137296,1.175711013,0.439853257,0.825433132,0.127039322,0.5710027,0.519027486,0.562627459,9.254701566,12.85865759,26.06386504,0.738149697,1.652657645,7.548807956,1.127650747,0.406481239,0.831097421,0.124150413,0.557668533,0.479769172,0.480492165,9.082939941,12.03923661,24.58231514,0.746646131,1.51792987 +UMLRON0230,L,2-Methyl-1-Heptene,CCCCCC(=C)C,27519,,"Sandia, UML",[1],C8H16,PubChem,,70.2,0,0.7767,0.60326289,39.5502,29.17586,0,0,29,9,20,0,9,0,0,0,0,0,0,0,0,0,1318.698369,1396.254728,1918.962707,2015.824282,1613.513839,557.268768,64.012032,0,0,4433.327004,5682.867541,8170.2616,10010.39328,9672.354909,6310.95762,1958.275899,0,0,202.233924,202.676768,382.217996,510.311656,689.244028,621.426816,423.263232,0,0,33.9923581,44.5820862,67.18847144,86.22584474,91.19753188,68.11028045,28.01061301,0,0,4839.502245,4076.805803,8519.524242,11270.26319,16437.40968,15307.1943,11649.81208,0,0,47.84027778,56.5,86.16666667,122,149.5,132,63,0,0,45.47235755,49.86624029,35.53634643,27.99755947,16.29811959,6.1918752,1.016064,0,0,152.873345,202.9595551,151.3011407,139.03324,97.70055464,70.12175134,31.08374443,0,0,6.973583586,7.238456,7.078111037,7.087661889,6.962060889,6.9047424,6.718464,0,0,1.172150279,1.592217364,1.244230953,1.197581177,0.921187191,0.756780894,0.444612905,0,0,166.8793878,145.6002072,157.7689674,156.5314332,166.0344412,170.0799367,184.917652,0,0,1.649664751,2.017857143,1.595679012,1.694444444,1.51010101,1.466666667,1,0,0,0.039168727,-0.010089061,0.008343935,-0.016028041,-0.00430371,-0.031430565,0.033923078,0,0,751.4441938,-57.58193056,157.9184446,-429.561202,-252.4967655,-528.6021225,734.6014791,0,0,1397.342566,-107.0760587,293.656091,-798.787398,-469.5285174,-982.958219,1366.022819,0,0,0.147202759,-0.011279905,0.030935139,-0.08414809,-0.049462383,-0.103549527,0.143903386,0,0,6.246771423,-0.478679803,1.312779358,-3.570951327,-2.099010934,-4.394280587,6.106757581,0,0,33.93256151,-2.600196285,7.131038311,-19.39746428,-11.40186071,-23.86980189,33.1720041,0,0,4.179118774,-2.368344563,1.820204122,-2.118559255,2.226887634,-4.896403092,3.246655767,0,0,0.001350646,-3.60E-04,1.55E-04,-2.23E-04,-4.35E-05,-3.49E-04,5.38E-04,0,0,25.91186875,-2.05649752,2.92441564,-5.966127805,-2.550472379,-5.873356917,11.66034094,0,0,48.18422642,-3.824144954,5.43807576,-11.09426942,-4.742712297,-10.92175799,21.68290189,0,0,0.005075957,-4.03E-04,5.73E-04,-0.001168723,-5.00E-04,-0.00115055,0.002284181,0,0,0.215405911,-0.017095707,0.024310729,-0.049596546,-0.021202131,-0.04882534,0.09693266,0,0,1.170088328,-0.092864153,0.132056265,-0.269409226,-0.11517031,-0.265220021,0.526539748,0,0,0.144107544,-0.084583734,0.033707484,-0.029424434,0.022493814,-0.054404479,0.051534219,0,0,-0.266778766,0.11440255,-0.1648187,-0.032185949,-0.258564095,0.39866971,0,0,-0.079365079,0.112860082,-0.230246914,-0.098428732,-0.226666667,0.45,0,0,-0.079365079,0.112860082,-0.230246914,-0.098428732,-0.226666667,0.45,0,0,-0.079365079,0.112860082,-0.230246914,-0.098428732,-0.226666667,0.45,0,0,-0.079365079,0.112860082,-0.230246914,-0.098428732,-0.226666667,0.45,0,0,-0.079365079,0.112860082,-0.230246914,-0.098428732,-0.226666667,0.45,0,0,-0.586948692,0.23390506,-0.204183857,0.156090472,-0.377526931,0.357609443,0,0,1.802121842,0.902990494,1.312377174,1.020195077,1.236484023,8.05E-05,0,0,1.611111111,1.08600823,1.441049383,1.048035915,1.052592593,0,0,0,1.611111111,1.08600823,1.441049383,1.048035915,1.052592593,0,0,0,1.611111111,1.08600823,1.441049383,1.048035915,1.052592593,0,0,0,1.611111111,1.08600823,1.441049383,1.048035915,1.052592593,0,0,0,1.611111111,1.08600823,1.441049383,1.048035915,1.052592593,0,0,0,2.196768279,0.5841801,1.35123959,0.757131248,1.563327985,0,0,0,40.59627183,20.29813592,27.79151114,40.59627183,4.51069687,20.29813592,1.78E-14,0.103265118,0.011473902,-2.043410075,35.06960524,3.896622805,3.201601327,40.59627183,20.29813592,27.79151114,40.59627183,4.51069687,20.29813592,1.78E-14,0.103265118,0.011473902,-2.043410075,35.06960524,3.896622805,3.201601327,40.59627183,20.29813592,27.79151114,40.59627183,4.51069687,20.29813592,1.78E-14,0.103265118,0.011473902,-2.043410075,35.06960524,3.896622805,3.201601327,40.59627183,20.29813592,27.79151114,40.59627183,4.51069687,20.29813592,1.78E-14,0.103265118,0.011473902,-2.043410075,35.06960524,3.896622805,3.201601327,40.59627183,20.29813592,27.79151114,40.59627183,4.51069687,20.29813592,1.78E-14,0.103265118,0.011473902,-2.043410075,35.06960524,3.896622805,3.201601327,40.59627183,20.29813592,27.79151114,40.59627183,4.51069687,20.29813592,1.78E-14,0.103265118,0.011473902,-2.043410075,35.06960524,3.896622805,3.201601327,56.40456966,28.04171384,39.94769911,56.15479257,6.239421397,28.04171384,-0.321141975,0.071192171,0.007910241,-2.37813518,30.00526254,3.333918061,3.061235506,0,11.89,12.11013444,-0.158056721,0.063473871,5.75475,9.532762612,8,28,28,28,8,0,0,0,0,0,21.86414,3.637282007,3.112599877,2.902564078,2.333552793,2.333552793,2.14936441,1.598026915,1.162837791,1.974892075,1.667247237,1.563026335,1.249629723,1.249629723,1.048930994,0.769718516,0.440344289,3.658753114,3.150713835,2.950308951,2.405454588,2.405454588,2.217766728,1.695309721,1.269690916,1.922967344,1.58857667,1.473453684,1.134540686,1.134540686,0.933620224,0.630337185,0.290000277,3.755381836,3.318028628,3.155598408,2.704236987,2.704236987,2.507077934,2.090117344,1.702702127,1.775109076,1.351217995,1.195492746,0.76031856,0.76031856,0.562129754,0.162386152,0.218324093,3.674689108,3.178805544,2.985267979,2.457539916,2.457539916,2.267644441,1.765276817,1.346550641,1.890327588,1.537907807,1.415133181,1.058262671,1.058262671,0.857422689,0.536857124,0.188893887,3.803761995,3.398793114,3.252217518,2.838982085,2.838982085,2.639666545,2.26277616,1.891182114,1.730553434,1.275766962,1.104407163,0.631337262,0.631337262,0.435831157,0.004703131,0.40108138,3.625674717,3.231810811,3.071089893,2.62226806,2.62226806,2.342386396,1.84591069,1.397142196,1.930054162,1.46504806,1.316419123,0.889647739,0.889647739,0.752180121,0.424110872,0.097001338,0,0,0,0,0,5,2,1,1,0,0,0,0,0,0,0,0,0,0,1.510362971,0.288675135,0.433012702,0.144337567,1.510362971,0.288675135,0.433012702,0.144337567,1.946432708,2.643356133,1.274273694,1.946432708,2.643356133,1.274273694,7.491563832,4.019385278,3.87944541,2.210343431,1.513420006,0,0,0,0.832395981,0.50242316,0.352676855,0.221034343,0.216202858,0,0,0,7.491563832,4.019385278,3.87944541,2.210343431,1.513420006,0,0,0,0.832395981,0.50242316,0.352676855,0.221034343,0.216202858,0,0,0,14.41827804,27.87836854,26.25490196,26.6,16.98554491,223.5398563,0.497182001,0.961323053,0.905341447,0.917241379,0.585708445,7.708270906,3.4687,43.527,20.29813592,27.79151114,40.59627183,4.51069687,20.29813592,0.103265118,0.011473902,-2.043410075,35.06960524,3.896622805,3.201601327,50,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,5,0,2,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,11.52662037,0,2.638888889,0,0,0,0.900462963,0,0,0,0,0,0.517361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.277199074,0,1.319444444,0,0,0,0.900462963,0,0,0,0,0,0.517361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.324074074,0,1.319444444,0,0,0,0.900462963,0,0,0,0,0,0.517361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.58333333,1.731481481,0.2,2.324074074,0,0.517361111,6.760894676,0.732638889,0.324074074,3.053240741,0.732638889,0.324074074,3.053240741,4.5,0.5,0,0,0.42414,0.7,0.42414,0.42414,0.7,0,0,0,0,0.71429,0,0,0.55556,0.11111,0.11111,4,0.44444,4,0.44444,0,0,-4,-0.44444,0,0,11.53525,1.28169,11.53525,0,0,4.01938,0.4466,4.01938,0,0,0.39462,0.04385,0.39462,0.04385,0,8,0,0,0,0,0,0,1,0.893571102,1.408042982,2.259420773,2.761636598,2.594120012,1.993019185,25.91356195,40.83324649,65.52320242,80.08746134,75.22948034,57.79755636,0.183938781,0.289841188,0.465094609,0.568474146,0.533991387,0.410256686,3.964409893,3.449938013,2.598560222,2.096344397,2.263860983,2.86496181,0.185875833,0.292893494,0.469992503,0.574460726,0.539614831,0.414577084,6.65913786,12.83280043,15.53098835,16.03713403,14.026935,8.655096697,35.68332321,25.714359,23.61389225,23.77133575,22.76623623,18.40080827,9,3.239669421,2.88,9,0,5,2.45,1.3767,3.077861033,4.152436465,2.5,3.221970075,0.5,2,1,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.131,0.009,0.004,3.625,11,10,7,0,0,0,0,0,0,45,2.197224577,2.48490665,2.397895273,2.079441542,0,0,0,0,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.375,8,1,1,2,4,1,3.5,1.555555556,0.875,0,0,0,0,0,0,0,0.4375,0.141414141,0.0875,0,0,0,0,0,0,0,0.666414141,20.29813592,27.79151114,40.59627183,4.51069687,20.29813592,0.103265118,0.011473902,-2.043410075,35.06960524,3.896622805,3.201601327,0,164.2203203,4.169925001,3.663561646,4.394449155,5.241747015,5.993961427,6.842683282,7.601402335,8.449556543,9.210440367,10.05813811,78.45593988,2.833213344,0,4.110873864,0,5.59471138,0,7.158513997,0,8.750999691,8.981430226,128.1565006,4.419189677,16.27137283,1.807930314,0,0,0,88,10,5.376,38,1.230142857,2.120751856,2.931621005,3.501814971,4.074351824,4.213602798,0,0,0,0,72.40063676,86.24858719,89.01527162,59.73835959,24.56568961,4.281290113,0,0,0,0,275.5059647,351.6343945,426.6969368,354.6940861,280.7061996,130.9745525,0,0,0,0,8.939719117,15.07932026,20.81877705,24.42829427,28.10851751,28.30893871,0,0,0,0,2.098837641,2.825465234,3.62529452,3.317604137,3.043453137,1.87342218,0,0,0,0,176.9060838,329.6891532,456.0249226,577.6436631,694.8638235,779.1695359,0,0,0,0,2.526529762,3.530413118,5.062553311,5.401311744,5.916011115,4.213602798,0,0,0,0,0.435567857,0.593200326,0.767731185,0.715034059,0.670625945,0.431472926,0,0,0,0,365.9650445,177.9171145,8.843161777,134.0341525,-65.16187821,-7.832762679,231.930892,243.0789927,16.67592446,0.731931264,0.3558348,0.017686352,0.268068736,-0.130323966,-0.015665551,182.9822284,88.95841438,4.421573788,67.01696864,-32.58088678,-3.91637505,0.062878137,0.133719689,0.806776041,6.312161141,499.999197,0,1,0,496.6525532,22.28570289,7.919253116,690.3932748,26.27533586,8.838234442,987.5692925,31.42561523,9.958391421,1.310755992,1.079729203,466.5593599,361.3117601,240.7600198,1.291293037,1.937860614,1.500713284,4.1049872,3.220218461,6.42424645,0.994972244,5.591774469,8.672253288,5.190366939,30.79499889,9.150064809,10.18585552,15.1161558,25.76572786,5.66929731,7.095921271,1.827267791,1.126710554,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.468220753,7.647404265,0.310343801,13.70240847,1.08786877,2.373435572,0.824974355,1.277706836,1.085724399,0.099661016,0.012870665,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5121709,7.800906276,1.084355572,16.25697201,1.688227292,3.417726185,2.743495399,4.400316534,1.584166711,0.648447924,0.134113862,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.277450375,8.589810949,4.813042031,29.41804349,8.286707753,9.512874718,13.88798344,23.6029513,5.234040601,6.356548385,1.62806344,1.003878819,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.229367089,7.92281656,1.681637957,18.28804207,2.410728051,4.298021389,4.357009049,7.100888925,2.056134369,1.286254997,0.291310601,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.756328814,8.999870094,6.676645417,36.26857016,12.76656205,12.89867916,20.06464413,34.52702646,7.456454608,10.18667931,2.664894859,1.643201453,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.477636071,6.65086604,2.483859314,21.04720902,3.691928383,5.553823993,6.95571104,11.67298445,3.336142623,2.582421898,0.609494512,0.375817207,2.68E-15,3.68E-51,9.75E-109,4.98E-188,4.91E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.065146483,1.846444271,1.025602255,0.51626189,0.310996167,0.497704789,0.515633244,0.45142906,5.937193008,10.69696071,22.43867497,0.274392835,1.464767093,2.290458931,1.351450853,0.528617213,0.54920132,0.324047981,0.277916525,0.27758479,0.119972325,4.170526997,5.020618876,10.82745015,0.32380198,0.67547364,2.608511967,1.554622812,0.732708492,0.532801363,0.317539334,0.360458291,0.366573076,0.230493212,4.895843272,7.105616416,14.97277742,0.299202044,0.957524579,3.046980615,1.834832214,1.013953127,0.516808272,0.311211847,0.491822886,0.509225294,0.441242629,5.895765957,10.54062758,22.10509945,0.275212408,1.442290809,2.745773693,1.642327312,0.820766045,0.527134532,0.315294535,0.399391512,0.408745543,0.289204432,5.20886705,8.111063436,17.02114142,0.290701797,1.097341488,3.121705642,1.882599719,1.061870156,0.514608526,0.31034376,0.516241899,0.535837419,0.483883681,6.066175517,11.19084468,23.49754845,0.271912789,1.535962999,3.056958862,1.836040738,1.016718531,0.517276593,0.310681609,0.495049402,0.509950606,0.443662274,5.909718131,10.58750437,22.20375962,0.27591489,1.448662282 +UMLRON0231,L,"2,2-Dimethyl-3-ethylpentane",CCC(CC)C(C)(C)C,28026,RON from [9],"Sandia, UML","[1], [9]",C9H20,PubChem,,112.1,0,-0.6676,0.44568976,32.065,22.457102,0,0,22,8,14,0,7,0,1,0,0,0,0,0,0,0,1280.041744,1227.247947,1382.165159,1264.141294,1067.384565,562.917938,281.592025,84.835296,9.144576,3616.181511,4450.143542,5558.086517,5314.515117,4307.716772,3194.098172,2068.222976,1061.424631,279.7536999,160.193824,154.923828,281.542892,350.60116,287.71626,225.3026,186.21226,123.32736,60.466176,26.39008467,33.66236034,45.56728387,44.90940762,35.88787876,27.93293149,21.03814958,12.01662072,4.001516144,3661.858907,3057.825133,6158.531007,8009.160087,6530.204932,4987.751257,4616.702266,3137.747111,1664.258868,82.77777778,51.16666667,79.91666667,109.8333333,102.25,79,37,24,9,58.18371564,58.44037843,35.44013228,26.33627696,27.368835,18.76393127,10.42933426,4.713072,1.016064,164.3718869,211.9115972,142.5150389,110.7190649,110.4542762,106.4699391,76.60085098,58.96803508,31.08374443,7.281537455,7.377325143,7.219048513,7.304190833,7.37734,7.510086667,6.89675037,6.85152,6.718464,1.199549303,1.60296954,1.168391894,0.935612659,0.92020202,0.931097716,0.779190725,0.66759004,0.444612905,166.4481321,145.6107206,157.9110515,166.8575018,167.4411521,166.2583752,170.9889728,174.3192839,184.917652,3.762626263,2.436507937,2.049145299,2.288194444,2.621794872,2.633333333,1.37037037,1.333333333,1,0.131260663,-0.045776118,-0.011845346,-0.008021612,0.034946992,-0.041002774,0.002867428,-0.001574,0.004775099,687.3645011,-46.5210804,-72.60977875,-10.92626802,-13.31048475,-437.6237417,41.13191475,38.74769802,157.4294903,1066.90404,-96.33311012,-292.1129994,2.672876398,2.355159956,-427.8117277,17.86783888,17.55012244,242.3598194,1.085692364,-0.003217983,0.098766083,-0.163126612,-0.182120463,-0.558170314,0.099429554,0.080435702,0.085157851,4.734521863,-0.459492824,-1.753681784,-0.025053141,-0.02579097,-0.950592798,-0.052286738,-0.053024566,0.95266189,26.12162368,-2.544279046,-10.26560835,-0.280625194,-0.292495931,-3.687455532,-0.473882754,-0.485753491,4.969288461,34.27272727,-0.533057851,1.084710744,-7.064738292,-1.824380165,-15.22038567,2.983471074,1.32231405,2.115702479,0.005966394,-0.002179815,-3.04E-04,-1.67E-04,8.96E-04,-0.001366759,1.06E-04,-8.74E-05,5.31E-04,31.24384096,-2.215289543,-1.861789199,-0.227630584,-0.341294481,-14.58745806,1.52340425,2.15264989,17.49216559,48.49563818,-4.587290958,-7.490076907,0.055684925,0.060388717,-14.26039092,0.66177181,0.975006802,26.92886883,0.049349653,-1.53E-04,0.002532464,-0.003398471,-0.004669755,-0.018605677,0.003682576,0.00446865,0.009461983,0.215205539,-0.021880611,-0.0449662,-5.22E-04,-6.61E-04,-0.031686427,-0.001936546,-0.002945809,0.105851321,1.187346531,-0.121156145,-0.263220727,-0.005846358,-0.007499896,-0.122915184,-0.017551213,-0.026986305,0.552143162,1.55785124,-0.025383707,0.027813096,-0.147182048,-0.046778979,-0.507346189,0.110498929,0.073461892,0.235078053,-0.365348861,-0.050906265,-0.028009702,0.150187325,-0.229076257,0.017799872,-0.014656164,0.08892584,-0.07090324,-0.059588999,-0.007285615,-0.010923576,-0.466890677,0.048758546,0.068898376,0.559859641,-0.094591826,-0.154448466,0.001148246,0.00124524,-0.294055124,0.013646007,0.020105041,0.555284348,-0.003105134,0.051316747,-0.068865146,-0.094625903,-0.377017386,0.074622127,0.090550792,0.191733536,-0.101673083,-0.208945363,-0.002425311,-0.003072908,-0.147237969,-0.008998587,-0.013688352,0.491861508,-0.102039415,-0.22168821,-0.004923885,-0.006316518,-0.103520902,-0.014781879,-0.022728247,0.465022761,-0.016294051,0.017853499,-0.094477601,-0.030027885,-0.325670498,0.070930347,0.047155909,0.15089891,1.135298338,0.811035186,1.240879826,1.329451894,1.835450709,0.197242424,0.207135578,0,1.244484016,1.05569469,0.989714036,1.028430338,1.549624126,0.684952826,0.616457543,0,1.493214171,1.267214504,0.913415642,0.896962336,1.198199205,0.820594415,0.738534974,0,0.532603912,0.53828678,1.327215976,1.609972143,2.288567999,0.084949376,0.076454438,0,1.567567372,1.344764791,0.909999903,0.891076757,1.049708735,0.826666838,0.744000154,0,1.571413854,1.354213064,0.917184986,0.903457207,1.025536537,0.813893358,0.732504022,0,0.539787798,0.552506291,1.359499337,1.564561654,2.277320955,0.062407899,0.102122016,0,36.84000323,18.54500162,28.6428363,37.02750323,4.628437904,18.54500165,0.25,2.22E-16,2.78E-17,-28.83492271,3000010.71,375001.3387,11.93130113,36.84171659,18.54549108,28.64332576,37.02866577,4.628583221,18.54549111,0.249265579,7.77E-16,9.71E-17,-27.83271234,3000010.71,375001.3387,11.93130113,38.37612104,18.98856328,29.08639796,38.07687518,4.759609397,18.9885633,-0.398994478,8.88E-16,1.11E-16,-27.72588722,3000010.71,375001.3387,11.93130113,36.84351482,18.54600481,28.64383949,37.02988592,4.62873574,18.54600484,0.2484948,2.22E-16,2.78E-17,-28.83492271,3000010.71,375001.3387,11.93130113,40.03480741,19.47625657,29.57409125,39.22308671,4.902885839,19.47625658,-1.082294264,5.55E-16,6.94E-17,-28.10189013,3000010.71,375001.3387,11.93130113,37.01965254,18.59639336,28.69422804,37.14950318,4.643687898,18.59639339,0.173134186,2.22E-16,2.78E-17,-28.83492271,3000010.71,375001.3387,11.93130113,40.39291283,20.23617962,31.66210048,40.71830965,5.089788706,20.23617963,0.650793651,8.88E-16,1.11E-16,-27.72588722,3000010.564,375001.3204,11.93130109,0,11.89,15.99491639,-0.299193378,0.132675696,4.429620118,7.019142124,7,21,20,20,6,1,1,0,0,1,16.262898,3.57200437,3.158726067,2.844183096,2.18392002,1.967707112,1.33214981,1.332136534,0.083923071,1.868454358,1.708882991,1.355178962,1.091617933,0.72416625,0.62252576,0.184433356,0.083923071,3.537100223,3.197240258,2.810627379,2.253323613,1.883596426,1.442861713,1.346145858,0.270913902,1.834481137,1.631733601,1.303842226,0.975709625,0.636384852,0.473240653,0.27522086,0.270913902,3.675055697,3.364701014,3.039324004,2.546003084,2.259356832,1.884943921,1.822128391,0.943918427,1.653398192,1.397661851,1.015213949,0.601565151,0.201416978,0.035334264,0.236582257,0.943918427,3.539915846,3.225530555,2.820845547,2.303876515,1.890416069,1.522049418,1.374099801,0.399277246,1.816233812,1.581957035,1.273337723,0.899064477,0.597225586,0.37260324,0.260408886,0.399277246,3.711542677,3.444790866,3.106015981,2.679762813,2.349642212,2.074844725,1.961296806,1.207644823,1.613424864,1.322620074,0.945089062,0.474040332,0.095091115,0.220196471,0.357427907,1.207644823,4.899343648,3.342825957,3.285915969,2.615260779,2.401877879,1.730809977,1.627016104,0.6,1.712140618,1.509387149,1.03239507,0.769985066,0.335893732,0.235437737,0.492189059,0.6,0,0,0,1,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.102062073,0,0,0,0.40824829,0.552585858,0.288675135,0.144337567,0.195368604,0.102062073,6.405777394,3.808060412,2.682521985,1.562948829,1.129936127,0.288675135,0.144337567,0,0.800722174,0.54400863,0.383217426,0.260491471,0.225987225,0.144337567,0.144337567,0,5.736675415,3.325444489,2.038675135,1.057677536,0.682677536,0.25,0.125,0,0.717084427,0.475063498,0.291239305,0.176279589,0.136535507,0.125,0.125,0,11.50759373,21.54552076,20.42745098,20.72,13.07012096,169.3523066,0.523072442,0.979341853,0.928520499,0.941818182,0.594096407,7.697832118,2.1557,34.823,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,61,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,2,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.64305556,0.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.945833333,0.802777778,0,0,0,0,0,0,0,0,0,0,4.070555556,0,3.541018519,0,0,0,0,0,0,0.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.64305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.64305556,0.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.265625,0.401388889,0,0,0,0,0,0,0,0,0,0,2.035277778,0,0.771666667,0,0,0,0,0,0,0.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.64305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.64305556,0.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.035277778,0,0.998842593,0,0,0,0,0,0,0.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.64305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.66666667,2.333333333,0.465972222,10.64305556,0.265625,0.412037037,3.407153704,1.25462963,3.643055556,7.427222222,1.25462963,3.643055556,7.427222222,3.83333,0.47917,0,0.02083,0.4803,0.79583,0.42308,0.4803,0.79583,0.05723,0,-0.05723,0,0.60209,0.1122,0,0.34783,0.13043,0,5.25,0.65625,3.75,0.46875,1.5,0.1875,-2.25,-0.28125,0,0,6.52331,0.81541,8.49821,1.97491,0.24686,3.11989,0.38999,3.80805,0.68816,0.08602,0.10595,0.01324,0.10595,0.01324,0,7.01,1,1,1,1,0,0,0.857142857,1.143320102,1.763842123,2.754441846,2.754441846,2.572623664,2.006285863,25.15304225,38.8045267,60.59772061,60.59772061,56.59772061,44.13828899,0.256382472,0.395530703,0.617666573,0.617666573,0.576894969,0.449897214,3.316111517,2.695589496,1.704989773,1.704989773,1.886807955,2.453145756,0.256382472,0.395530703,0.617666573,0.617666573,0.576894969,0.449897214,9.968326343,17.41459059,18.41294179,18.41294179,16.23112361,13.43222453,29.50877429,19.9690069,20.80426451,20.80426451,23.98847895,23.4405345,8,5.142857143,5,8,1,7,2.12,1.1106,0.166666667,3.181082915,0.666666667,0,2.941682753,2.828427125,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,3.887,7,6,5,2,1,0,0,0,0,36,2.197224577,2.302585093,2.197224577,2.079441542,1.098612289,0.693147181,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.666666667,0.375,0.08,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.0625,0.016,0.027777778,0,0,0,0,0,0.415801587,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,17.07,135.7821191,4,3.36729583,4.007333185,4.709530201,5.370638028,6.084499413,6.751101469,7.467942332,8.135932772,8.853522561,69.74779579,2.708050201,0,3.761200116,0,4.990432587,0,6.304448802,0,7.656810091,7.96241568,114.1044651,5.186566594,14.6584741,1.832309262,2.451123717,2.451123717,0,75,6,1.829,28,1.233333333,2.127905567,2.879963448,3.626157149,4.998700783,5.91775836,7.149878224,8.248855885,0,0,82.62061363,84.68613563,85.30766813,120.2020426,105.8917791,72.77475524,36.43541789,8.381365506,0,0,286.274389,326.4421231,346.2299747,461.0646672,570.7372697,495.8431079,442.2617771,256.4053282,0,0,9.129617831,15.44937041,21.10811278,26.71489668,37.45207611,40.95389848,49.08605775,55.41964131,0,0,2.113145198,2.618596231,2.857514906,3.736626653,4.919534301,4.904078731,4.93829558,3.667547777,0,0,177.4424221,332.3311183,476.9848627,593.5825949,822.5762649,1001.109252,1238.513869,1525.359062,0,0,3.063896825,4.569429287,6.723641518,9.522286626,12.96143187,8.435909828,9.779994616,8.248855885,0,0,0.449709286,0.578472985,0.65518638,0.863249335,1.135092924,1.067368071,1.094051546,0.844682843,0,0,396.6680586,209.2560639,12.30183333,174.6310972,-92.12391884,-17.69022139,222.0369613,301.3799827,29.99205472,0.694326352,0.366281066,0.021533085,0.305673648,-0.161253378,-0.0309649,226.616127,119.5478126,7.028026999,99.76659844,-52.63031706,-10.10640854,0.251395463,0.567111721,4.506447523,17.97572681,539.6021795,31.69697636,0.944517726,0.055482274,506.3771674,22.50282577,7.970606549,641.9956726,25.33763352,8.626686854,834.4376527,28.8866345,9.414515271,2.369854061,2.369854061,714.7792402,662.9069966,71.93087291,1.078249655,9.937029974,9.215889781,4.225634109,4.434143809,8.849939625,0.995862111,3.917822784,5.778255412,2.144191084,13.73535324,6.281247875,0.096321537,2.418519278,4.848570807,9.69458112,0.056183925,2.986761539,4.629390488,4.337108891,1.411994453,3.955765266,0.160093208,0.210434626,8.89E-19,7.24E-58,1.14E-118,3.44E-201,2.01E-305,0,0,0,0,0,0,0,0,0.345289482,5.778031215,0.143569305,5.499030446,0.244988666,0.001013467,0.688941594,0.419490207,2.178745415,0.004546501,0.025288826,0.089209154,0.062783265,0.994833228,0.063979185,0.001128688,0.001482108,6.26E-21,5.10E-60,8.01E-121,2.43E-203,1.42E-307,0,0,0,0,0,0,0,0,1.067258616,5.777928829,0.487425109,5.801936037,0.728915259,0.007582383,0.942794963,1.081555985,3.16845992,0.014787768,0.223596299,0.47918478,0.40114145,1.079984726,0.383125962,0.011752859,0.015444711,6.52E-20,5.31E-59,8.34E-120,2.53E-202,1.48E-306,0,0,0,0,0,0,0,0,3.70321596,5.778289294,1.998892439,13.87055478,6.222405802,0.085928495,2.368613887,5.105316979,9.041906423,0.052916931,2.661764941,4.161551625,3.886482785,1.386456141,3.549385299,0.142640949,0.187493463,7.92E-19,6.45E-58,1.01E-118,3.07E-201,1.79E-305,0,0,0,0,0,0,0,0,1.565367409,5.777907687,0.742626849,6.245441598,1.137391006,0.015917679,1.151201142,1.452354936,4.009509667,0.021906865,0.480335047,0.906269592,0.792005852,1.13843856,0.743321703,0.025525981,0.033547976,1.42E-19,1.15E-58,1.81E-119,5.49E-202,3.21E-306,0,0,0,0,0,0,0,0,4.731361413,5.77842984,2.708082133,17.67954452,9.078174343,0.13997852,2.862002678,6.424638588,12.32998317,0.068400247,4.35323522,6.577195573,6.220118691,1.506551329,5.651303648,0.233477186,0.306899125,1.30E-18,1.06E-57,1.66E-118,5.02E-201,2.94E-305,0,0,0,0,0,0,0,0,2.465203933,5.371652532,1.140607339,14.92764788,5.919883301,0.035140263,2.2598575,6.202334706,5.433989438,0.030893517,1.078730141,1.915995087,1.636835464,1.705399891,1.593204377,0.057638883,0.075756465,3.20E-19,2.61E-58,4.09E-119,1.24E-201,7.25E-306,0,0,0,0,0,0,0,0,7.876774435,0.790237663,0.452338377,0.863742923,0.086655038,0.584213114,0.538919363,0.545435764,9.119350476,10.14494601,22.07988749,0.795614384,1.668568241,5.721961217,0.593458135,0.087846848,0.893600397,0.092680535,0.308293693,0.303939483,0.020571649,6.4032662,3.950534113,10.65210576,0.840400595,0.632804825,6.836039468,0.580924648,0.234278744,0.893454775,0.075925527,0.440031364,0.291237987,0.146312865,7.65124286,5.70886086,14.29047705,0.840182162,0.877582216,7.705115294,0.809033981,0.435977007,0.86089459,0.090393583,0.559027003,0.564861445,0.50669184,8.950126282,9.945673419,21.61354961,0.791341885,1.630580287,7.293399512,0.60192089,0.304005241,0.889512117,0.073411024,0.500880916,0.312670654,0.246364927,8.199325642,6.790268302,16.32419201,0.834268176,1.059916497,7.972386325,0.826092267,0.478484324,0.859374603,0.089047706,0.598482088,0.588932425,0.610312364,9.276962917,10.79586078,23.22408638,0.789061905,1.797726877,7.710452174,0.814514543,0.435662308,0.860481128,0.09089926,0.559801686,0.572540347,0.505960619,8.960629025,9.994282107,21.69099042,0.790721692,1.638302651 +UMLRON0232,L,4-Heptanone,CCCC(=O)CCC,31246,Sandia and Co optima database valuese measured by NREL,Sandia,,C7H14O,PubChem,,86.6,0,-0.1638,0.02683044,24.4562,17.603516,0,0,18,6,12,0,5,0,1,0,0,0,0,0,0,0,989.481374,918.525433,1003.316377,769.312871,559.034538,134.18496,6.096384,0,0,2706.980219,3340.91352,4245.280188,4043.695316,2726.669026,1125.643694,186.5024666,0,0,131.675864,127.961068,226.768108,280.468388,275.794488,158.402304,40.310784,0,0,19.92305886,25.2786954,34.93808817,36.48214284,26.57775802,11.2156643,2.667677429,0,0,3038.434891,2530.053054,4960.191286,6428.598677,6799.160259,3821.280232,1109.505912,0,0,62.27777778,43.91666667,64.66666667,74.66666667,73.33333333,53,6,0,0,54.97118744,54.03090782,32.36504442,19.72597105,14.33421892,6.38976,1.016064,0,0,150.3877899,196.5243247,136.9445222,103.6844953,69.9145904,53.60208067,31.08374443,0,0,7.315325778,7.527121647,7.315100258,7.191497128,7.071653538,7.542966857,6.718464,0,0,1.106836603,1.486982082,1.127035102,0.93543956,0.681480975,0.534079252,0.444612905,0,0,168.8019384,148.8266503,160.0061705,164.8358635,174.3374425,181.9657253,184.917652,0,0,3.459876543,2.583333333,2.086021505,1.914529915,1.88034188,2.523809524,1,0,0,0.225203329,-0.101462182,-0.025577948,-0.004255898,0.049056005,-0.059646296,0.029284654,0,0,557.7912351,-66.11605249,-126.6202505,-247.7438725,188.5874278,-117.7591669,90.75629696,0,0,815.6252945,-79.2452518,-166.6805924,-442.064738,86.54347906,62.48144501,131.1530109,0,0,1.059967111,-0.095141383,-0.136576247,-0.101138519,0.203062815,-0.462342519,0.062152296,0,0,3.576219349,-0.265723223,-0.593319447,-1.950975569,-0.383008841,0.913523069,0.491394336,0,0,19.7674611,-1.32649563,-3.008159357,-10.57865728,-3.365846977,5.872933101,2.522495592,0,0,23.75308642,-3.575445816,-2.114883402,-4.252057613,7.093621399,-10.31378601,1.28600823,0,0,0.012511296,-0.005968364,-8.25E-04,-1.09E-04,0.001257846,-0.0028403,0.004880776,0,0,30.98840195,-3.889179558,-4.084524209,-6.352406988,4.835575072,-5.607579374,15.12604949,0,0,45.31251636,-4.6614854,-5.376793304,-11.33499328,2.219063566,2.975306905,21.85883516,0,0,0.058887062,-0.005596552,-0.004405685,-0.002593295,0.005206739,-0.02201631,0.010358716,0,0,0.198678853,-0.015630778,-0.019139337,-0.050025015,-0.00982074,0.043501099,0.081899056,0,0,1.098192283,-0.078029155,-0.097037399,-0.271247623,-0.086303769,0.279663481,0.420415932,0,0,1.319615912,-0.210320342,-0.068222045,-0.109027118,0.181887728,-0.491132667,0.214334705,0,0,-0.477038,-0.065948011,-0.008722165,0.100536849,-0.227018831,0.390109521,0,0,-0.12550436,-0.131808159,-0.204993049,0.156044674,-0.180957359,0.488119701,0,0,-0.102874123,-0.118660223,-0.250151486,0.04897242,0.065661922,0.482401705,0,0,-0.095038736,-0.074815847,-0.044038457,0.088419063,-0.373873475,0.175908183,0,0,-0.078673586,-0.096333036,-0.25178832,-0.049430221,0.218951831,0.412218285,0,0,-0.071052361,-0.088361028,-0.246994654,-0.07858712,0.254658028,0.382825429,0,0,-0.159379968,-0.051698411,-0.082620342,0.13783384,-0.372178497,0.162422037,0,0,1.381647489,0.797523556,0.703918411,0.574403292,2.241022284,1.312124678,0,0,1.409452341,1.180958298,1.127929489,0.620590972,1.15415738,0,0,0,1.590373361,1.278605214,1.25695846,0.702444932,0.47191233,0,0,0,1.043987109,0.894935497,0.730864767,0.624596254,2.602201853,0,0,0,1.655711089,1.29519174,1.274853026,0.767636808,0.240231621,0,0,0,1.661705788,1.290419824,1.266822954,0.785624606,0.223930104,0,0,0,1.121491684,0.867685769,0.775337838,0.574494243,2.59013959,0,0,0,21.03843826,10.64421913,16.53344786,21.20510493,3.534184155,10.6442802,0.25,0.03423935,0.005706558,-2.024627828,18.44631192,3.074385319,1.748918673,21.04159492,10.64543025,16.53541862,21.20777197,3.534628661,10.64549123,0.249265579,0.03436061,0.005726768,-2.022506657,18.45212233,3.075353722,1.749107637,23.85581025,11.72840789,18.45418449,23.58981393,3.931635656,11.72842654,-0.398994478,0.142916857,0.023819476,-1.167295342,54.25438409,9.042397349,2.396210281,21.04490793,10.64670137,16.53748742,21.21057113,3.535095189,10.64676226,0.2484948,0.034487888,0.005747981,-2.020288247,18.45823249,3.076372081,1.749306286,26.86533089,12.89151831,20.84496718,26.14380138,4.35730023,12.89152393,-1.082294264,0.242945972,0.040490995,-0.848949719,23.07833029,3.846388381,1.883336457,21.36927278,10.77120348,16.74213892,21.48469557,3.580782595,10.77125626,0.173134186,0.047002079,0.00783368,-1.834538061,19.12118786,3.186864644,1.77047822,23.14655849,11.86494591,18.91500556,23.53544738,3.922574563,11.8649656,0.583333333,0.010495254,0.001749209,-2.734099248,15.42880713,2.571467855,1.641741813,0,11.99640057,15.99794223,-0.421693145,0.069896371,3.94567306,7.130879209,5,17,17,17,5,0,0,0,0,0,13.118484,3.462418327,2.91648782,2.333552793,2.040933935,1.28574234,0.964708207,0.083923071,0.083923071,1.86924803,1.439292845,1.249629723,0.837367765,0.404664916,0.368072746,0.083923071,0.083923071,3.47524016,2.870216801,2.405454588,1.962147931,1.237459261,1.076289878,0.270913902,0.270913902,1.816145112,1.398211226,1.134540686,0.777757418,0.342099114,0.217772547,0.270913902,0.270913902,3.612996741,3.123387144,2.704236987,2.368380831,1.787154642,1.581745336,0.943918427,0.943918427,1.624704692,1.088905786,0.76031856,0.315183995,0.262408825,0.34297587,0.943918427,0.943918427,3.492727995,2.880745109,2.457539916,1.976935215,1.263019408,1.150329754,0.399277246,0.399277246,1.783140158,1.373248962,1.058262671,0.739514765,0.280283032,0.110944814,0.399277246,0.399277246,3.670016378,3.191117386,2.838982085,2.473156797,1.944506285,1.788259369,1.207644823,1.207644823,1.569734502,1.015337418,0.631337262,0.198876004,0.422028567,0.54247333,1.207644823,1.207644823,4.283658108,3.45023646,2.657839583,2.62349744,1.744937136,1.290879504,0.6,0.6,1.729725471,1.152692448,0.857839583,0.441422377,0.020290283,0.310341364,0.6,0.6,0,0,0,0,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.288675135,0,0.288675135,0.129099445,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.438777427,2.379176595,1.906128782,0.706449714,0.25819889,0,0,0,0.739796238,0.475835319,0.381225756,0.235483238,0.129099445,0,0,0,8.965765927,17.6576839,16.70196078,16.96,10.27156647,139.5813569,0.498098107,0.980982439,0.92788671,0.942222222,0.570642582,7.754519827,1.0248,26.5408,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.696388889,0,8.236666667,0,0,0,0,0,0,0,0,0,0,0.696388889,0,0,0,0,0,0,0,0,0,0,0,0,0,1.503611111,0,0,0,0,0,0,0,0,0,0,0,4.186944444,0,1.261574074,0,0,0,0.648148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.236666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.696388889,0,8.236666667,0,0,0,0,0,0,0,0,0,0,0.696388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,2.093472222,0,0.331018519,0,0,0,0.648148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.236666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.696388889,0,8.236666667,0,0,0,0,0,0,0,0,0,0,0.696388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.093472222,0,0.930555556,0,0,0,0.648148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.236666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,2.388888889,0.696388889,8.236666667,0.24,0.331018519,2.692301667,1.168981481,2.236666667,4.847222222,1.168981481,2.236666667,4.847222222,2.83333,0.47222,0,0.02778,0.47593,0.82778,0.42,0.47593,0.75238,0.05593,0,-0.05593,0.0754,0.57047,0.14382,0,0.47059,0.17647,0,2.75,0.45833,2.75,0.45833,0,0,-2.75,-0.45833,0,0,4.94044,0.82341,5.69868,0.75825,0.12637,2.43179,0.4053,2.77005,0.33826,0.05638,0.14395,0.02399,0.14395,0.02399,0,5.01,1,1,1,1,1,1,1,1.134969975,1.94471679,2.974937501,2.974937501,2.743275001,1.927736112,20.42945954,35.00490222,53.54887502,53.54887502,49.37895002,34.69925001,0.272179949,0.46636733,0.7134271,0.7134271,0.657871544,0.462295152,3.034955027,2.225208211,1.1949875,1.1949875,1.42665,2.24218889,0.27767102,0.475776017,0.727820072,0.727820072,0.671143716,0.471621685,10.25843817,16.9429018,17.98118402,17.98118402,15.20123402,9.286364046,21.93297423,15.25754858,15.29189723,15.29189723,13.90192223,10.41754445,6,3.2,5.333333333,6,0,4,1.9,0.8718,0.5,1.632993162,2,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,2.891,5,3,2,0,0,0,0,0,0,21,1.791759469,1.791759469,1.386294361,1.098612289,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,20.23,103.8266085,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,88.088815,4.893823056,10.67917749,1.779862916,2.371664406,2.371664406,0,32,3,1.359,20,1.216411765,2.109021302,2.857296108,3.420592759,4.249390484,4.823337804,0,0,0,0,77.15821427,76.95587386,64.2249547,60.82442208,29.96915978,4.900819903,0,0,0,0,263.9099389,311.6444121,312.7481436,261.4279808,238.410252,149.9273996,0,0,0,0,9.180431628,15.49152274,20.61183636,24.44651994,32.52611578,32.4054214,0,0,0,0,1.941447524,2.511694225,2.759889535,2.432717428,2.301180115,2.144518232,0,0,0,0,178.6200885,333.7215899,468.4416594,592.1892674,772.5042007,891.9203017,0,0,0,0,3.19902451,4.551395188,5.628851457,7.16787034,11.59077722,4.823337804,0,0,0,0,0.425350094,0.558441024,0.62477506,0.591276659,0.635776371,0.493909791,0,0,0,0,343.9261176,204.0354472,16.43490903,136.526589,-80.99490625,-20.44013767,207.3995285,285.0303534,36.8750467,0.715837611,0.424673322,0.034207132,0.284162389,-0.168580393,-0.042543496,165.240234,98.02938284,7.896196525,65.59456923,-38.91422193,-9.820519466,0.35351441,0.666992915,12.21556297,25.09266047,408.277487,72.1752196,0.849776641,0.150223359,346.0061755,18.60124124,7.020390718,470.5945044,21.69319028,7.778256915,533.4844305,23.09728188,8.110368425,1.393126442,1.175486662,319.2048819,273.797044,72.97376279,1.16584488,4.374241778,3.751992957,3.637226539,3.22022378,5.518795453,0.713792528,3.782243497,4.176856481,3.910829914,12.90352341,3.546398532,3.481182611,3.7073513,5.270687559,2.255741749,2.036368089,1.76E-10,3.08E-42,1.04E-95,6.80E-171,8.56E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337322539,4.303721667,0.323266403,4.507786976,0.523527563,0.168093041,0.326121674,0.235148514,0.180013865,0.216562928,1.96E-11,3.44E-43,1.16E-96,7.60E-172,9.57E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.969469194,4.067498091,0.8059425,5.440670747,0.734822073,0.50436654,0.704701095,0.866995938,0.269677551,0.381621746,3.40E-11,5.96E-43,2.02E-96,1.32E-171,1.66E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.793087398,4.303390768,4.162070825,12.36072097,3.2178042,3.335794976,3.751678193,4.888419544,2.181438163,2.519143272,2.21E-10,3.87E-42,1.31E-95,8.54E-171,1.07E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.361918399,3.977741653,1.069628611,6.271838234,1.000341038,0.793728935,0.970474878,1.401573278,0.401825701,0.387051908,3.37E-11,5.91E-43,2.00E-96,1.30E-171,1.64E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.748236975,4.257095599,5.295221807,16.09625915,4.926011656,4.846417588,5.074454609,7.106839781,3.266668991,2.973911168,2.56E-10,4.50E-42,1.52E-95,9.93E-171,1.25E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.48411676,4.512394242,4.595642426,9.722707044,1.652774087,2.499830292,3.537707717,2.753926161,1.829983411,4.208175198,3.79E-10,6.65E-42,2.25E-95,1.47E-170,1.85E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.800096399,1.284945341,0.552908154,0.603735802,0.277050285,0.531915669,0.509643496,0.410262206,4.637949894,5.856623709,12.48392101,0.405603703,1.451821371,3.100166461,0.672287146,0.15671345,0.789013655,0.171101696,0.652141255,0.140431633,0.032423057,3.929167057,2.675396283,6.931185837,0.683520482,0.824995945,2.625163578,0.960614226,0.327016505,0.670917858,0.245505935,0.467441484,0.284261968,0.142778247,3.912794308,3.694378003,8.431832551,0.506376788,0.8944817,2.913668466,1.247984359,0.533799821,0.620529837,0.265785741,0.575926829,0.482070027,0.381949116,4.695452647,5.857702208,12.49416453,0.430794756,1.439945972,2.508159296,1.084548083,0.404556555,0.627469023,0.27132261,0.427005334,0.360213978,0.219077431,3.997263935,4.173672679,9.271419186,0.441203535,1.006296743,2.858985779,1.317464099,0.577555986,0.601384571,0.277127151,0.554531264,0.536468595,0.447728124,4.754005864,6.178744751,13.10817942,0.402076857,1.538727983,2.913848976,1.253555545,0.534858774,0.619669464,0.266585571,0.575995126,0.486315941,0.383435906,4.702263294,5.881644412,12.53757113,0.429504196,1.445746974 +UMLRON0233,L,3-Methylbutan-1-ol,CC(C)CCO,31260,"Sandia values from the co-optima database from source dissertation (Incorporation of Higher Carbon Number Alcohols in Gasoline Blends for Application in Spark-Ignition Engines, page 194)",Sandia,,C5H12O,PubChem,,98.8,0,-0.5163,0.26656569,35.4649,26.352688,0,0,26,10,16,0,8,0,2,0,0,0,0,0,0,0,1682.305994,1635.790101,1887.781373,1640.907548,1482.462883,1137.947589,898.906268,504.414626,275.495641,4318.256679,5285.075779,6501.791035,6296.400774,5594.769414,4721.063408,3654.726637,2682.582579,1881.72051,194.522984,189.22686,344.824556,416.345288,339.266596,316.9281,265.94048,203.151368,145.901476,30.71141448,38.56812896,51.29106537,51.30685889,44.65060616,38.83004553,30.87189014,23.25443575,18.37047215,4343.939853,3670.756885,7358.856922,9431.398662,7423.366057,7022.167554,6097.165481,4591.973822,3507.196353,99.27777778,65,116.0833333,122.25,118.3333333,106.6666667,82.75,62,31,64.70407669,65.43160404,41.0387255,29.3019205,32.94361962,27.09399021,24.96961856,18.68202319,13.11884005,166.0867953,211.4030311,141.3432834,112.4357281,124.3282092,112.4062716,101.5201844,99.35491033,89.60573856,7.481653231,7.5690744,7.496186,7.434737286,7.539257689,7.545907143,7.387235556,7.524124741,6.947689333,1.181208249,1.542725158,1.11502316,0.916193909,0.992235693,0.924524894,0.857552504,0.861275398,0.874784388,167.0746097,146.8302754,159.9751505,168.4178333,164.9636902,167.1944656,169.3657078,170.0731045,167.0093502,3.818376068,2.6,2.523550725,2.183035714,2.62962963,2.53968254,2.298611111,2.296296296,1.476190476,0.273574206,-0.162254146,0.057624304,-0.02632382,0.002474769,-0.011954994,0.032736479,-0.040945026,0.002582409,882.3953095,-16.00761486,-51.54279203,75.18041669,-154.503831,-252.6188393,6.470782485,-259.122557,-45.6104834,1232.223078,-150.640033,-371.3571158,241.0698199,-166.9058405,-214.9172425,14.83699372,-114.8847827,-138.4201997,2.012233846,0.022008994,0.808429041,-0.424900592,-0.474928426,-0.612785751,-0.20596071,-0.583615148,0.13505974,5.44084932,-1.061852848,-2.005132993,1.105999017,-0.657110377,-0.504096155,-0.07134843,0.341578662,-0.69676274,30.33541873,-6.445201195,-11.10342427,5.842720531,-3.629174365,-2.203469511,-0.733465935,3.112537506,-3.852690322,38.76068376,-0.387409599,11.59648258,-5.238823143,-8.060157791,-13.74161736,-0.514792899,-9.4117357,2.071499014,0.010522085,-0.006490166,0.001252702,-4.70E-04,5.50E-05,-2.85E-04,9.09E-04,-0.001516482,1.23E-04,33.93828114,-0.640304595,-1.120495479,1.342507441,-3.433418466,-6.014734268,0.179743958,-9.59713174,-2.171927781,47.39319532,-6.02560132,-8.072980778,4.304818212,-3.709018678,-5.117077203,0.412138715,-4.254991951,-6.591438079,0.077393609,8.80E-04,0.017574544,-0.007587511,-0.010553965,-0.014590137,-0.005721131,-0.021615376,0.006431416,0.209263435,-0.042474114,-0.043589848,0.019749982,-0.014602453,-0.012002289,-0.001981901,0.012651062,-0.033179178,1.166746874,-0.257808048,-0.241378788,0.104334295,-0.080648319,-0.05246356,-0.020374054,0.115279167,-0.183461444,1.490795529,-0.015496384,0.252097447,-0.093550413,-0.179114618,-0.327181366,-0.014299803,-0.348582804,0.09864281,-0.616813678,0.119054567,-0.044674437,0.005226614,-0.027051932,0.086422669,-0.144123763,0.011687023,-0.018866736,-0.033015681,0.03955732,-0.10116654,-0.17722566,0.005296201,-0.282781903,-0.063996399,-0.127140643,-0.170340504,0.090831989,-0.078260574,-0.107970715,0.008696158,-0.089780651,-0.139079841,0.011375096,0.227080046,-0.098037947,-0.136367396,-0.188518626,-0.073922522,-0.279291482,0.083100093,-0.202969591,-0.20830131,0.094378564,-0.06978024,-0.057354929,-0.009470842,0.060455194,-0.1585522,-0.220963136,-0.206881881,0.089423248,-0.069122379,-0.044965674,-0.017462274,0.098803922,-0.157241856,-0.010394708,0.169102632,-0.062752008,-0.120147005,-0.219467633,-0.009592062,-0.233823349,0.0661679,1.623150227,0.925271279,1.207795154,1.252212987,1.150496934,0.945966809,1.129264093,0.143192233,1.12464819,1.047900149,0.930640842,1.125497408,1.194656425,0.937914506,1.279122766,0.816675925,1.503536455,1.251118583,0.81781684,1.049666319,1.027726997,0.874721933,0.94936449,1.087501242,0.708875861,0.715496191,1.194864321,1.334523489,1.467702534,1.112102908,1.606034345,0.070154205,1.687517838,1.321076151,0.799895278,1.045874025,0.970261852,0.871561688,0.780064773,1.101045148,1.716599977,1.324714486,0.806585751,1.053807498,0.96727322,0.878172915,0.750933124,1.072711316,0.578335171,0.497369493,1.005867066,1.59991731,1.800578831,1.048844634,1.564682102,0.08446212,56.16223156,28.33111578,44.58317295,56.56223156,5.656223156,28.33111578,0.5,0.174661586,0.017466159,-1.744904974,49.08128707,4.908128707,3.893477843,56.17586174,28.33719645,44.59140359,56.57468667,5.657468667,28.33719645,0.498531158,0.174400498,0.01744005,-1.746400915,49.11503685,4.911503685,3.894165238,68.38541073,33.79371089,52.46916795,67.74701957,6.774701957,33.79371089,-0.797988956,0.043224377,0.004322438,-3.141350662,54.19008308,5.419008308,3.992497923,56.19016729,28.34357844,44.60004342,56.58775897,5.658775897,28.34357844,0.4969896,0.174126499,0.01741265,-1.747973238,49.15061269,4.915061269,3.894889312,81.52709482,39.68125315,61.9148761,79.795424,7.9795424,39.68125315,-2.164588529,0.218542696,0.02185427,-1.520773879,339.0614638,33.90614638,5.8261814,57.59171293,28.96899065,45.4532935,57.86872762,5.786872762,28.96899065,0.346268372,0.147421352,0.014742135,-1.914460454,53.61553024,5.361553024,3.981838769,56.72145246,28.60250206,46.39485374,57.39275727,5.739275727,28.60250206,1.175198413,0.311673945,0.031167395,-1.165797685,40.5042466,4.05042466,3.701406823,0,11.89,15.99591866,-0.315935821,0.261476507,4.154010022,7.132818625,9,25,24,24,8,1,1,0,0,1,20.365312,3.56033902,3.29307941,3.008776862,2.667207329,2.086998322,1.888615365,1.510894416,1.168027777,1.872042728,1.668135968,1.557633873,1.18177923,0.89205759,0.775850762,0.566533513,0.390769295,3.503868833,3.242001221,3.022284937,2.627037221,2.09365378,1.843069566,1.56096688,1.277473949,1.828227031,1.647439946,1.48794273,1.148461388,0.829681516,0.670483442,0.47628009,0.360257976,3.660149323,3.445207531,3.215996408,2.881237173,2.42740193,2.22812728,1.980635824,1.757957422,1.63603894,1.391453152,1.232244326,0.832154155,0.414010637,0.229680515,0.00674414,0.173985825,3.509648174,3.235336266,3.046402375,2.629060967,2.116598692,1.879312381,1.609363621,1.35803469,1.810216225,1.63463559,1.443518759,1.128765491,0.779092146,0.607844841,0.415874258,0.26798367,3.696031933,3.489934091,3.293859041,2.946528113,2.542125953,2.352097872,2.13423319,1.954458698,1.589385676,1.345156527,1.155932847,0.766678741,0.306928937,0.094774632,0.150489402,0.362448621,4.959434087,3.461926318,3.411525631,3.025528225,2.617479367,2.361965163,1.849978941,1.595098544,1.739404554,1.399840359,1.313273175,0.857031449,0.49569111,0.401775707,0.150724585,0.216943107,0,0,1,0,0,3,4,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.40824829,0.49279928,0.348461713,0.083333333,0.100592232,0.071129449,7.819990956,4.808060412,3.389628766,2.08195123,1.379936127,0.637136847,0.420630496,0.144337567,0.781999096,0.534228935,0.376625418,0.260243904,0.197133732,0.127427369,0.105157624,0.072168784,6.852030487,3.964690378,2.262127951,1.289779436,0.752493989,0.350261893,0.189177501,0.072168784,0.685203049,0.440521153,0.25134755,0.16122243,0.107499141,0.070052379,0.047294375,0.036084392,13.76422064,25.76402039,24.50196078,24.88,15.34891497,200.5350826,0.529393102,0.990923861,0.942383107,0.956923077,0.590342883,7.712887794,2.1298,40.775,31.26412072,48.34375653,62.52824143,6.252824143,31.26412072,0.070144679,0.007014468,-2.65719533,225.9137237,22.59137237,5.420153173,107,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,1,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.44515306,-0.059305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.644529478,0.5125,0,0,0,0,0,0,0,0,0,0,3.947296391,0,4.33352277,0,0,0,0,0,0,-0.059305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.69565193,4.749501134,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.749501134,-0.059305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252862812,0.5125,0,0,0,0,0,0,0,0,0,0,1.831072137,0,0.504918981,0,0,0,0,0,0,-0.059305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.69565193,4.749501134,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.69565193,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,2.116224254,0,1.1521875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.69565193,4.749501134,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.66666667,2.366666667,0.555902778,10.69565193,0.217369615,-0.059305556,3.802352099,1.725972222,3.695651927,10.12275463,1.725972222,3.695651927,10.12275463,4.66666,0.46667,0,0.03333,0.51282,0.85333,0.425,0.51282,0.85333,0.08782,0,-0.08782,0,0.54687,0.16742,0,0.28571,0.10714,0,6.75,0.675,5.25,0.525,1.5,0.15,-3.75,-0.375,0,0,8.3728,0.83728,11.45959,3.08679,0.30868,3.72862,0.37286,4.80805,1.07943,0.10794,0.10595,0.01059,0.10595,0.01059,0,9.02,2,2,2,2,0,0,0.875,1.238901257,1.979097891,3.353533949,3.87314068,3.763342488,3.767183468,32.21143267,51.45654517,87.19188266,100.7016577,97.8469047,97.94677017,0.263571353,0.421045266,0.713451113,0.823995394,0.800636263,0.801453416,3.461538462,2.721341827,1.34690577,0.827299039,0.93709723,0.93325625,0.263571353,0.421045266,0.713451113,0.823995394,0.800636263,0.801453416,11.26589917,20.45555991,24.69655503,24.37467578,25.10957033,23.10318924,36.56521118,22.92976312,18.56715459,17.82003088,17.21297165,19.79013004,10,7.111111111,7,10,3,6,2.12,1.3102,0.125,3.055210537,0.516397779,0,4.329638386,2.305269779,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,4.356,9,8,7,5,4,2,1,0,0,55,2.397895273,2.48490665,2.397895273,2.302585093,1.945910149,1.791759469,1.098612289,0.693147181,0,0,4.17438727,1.163636364,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0.666666667,8,0.888888889,0,4,8,1,1.5,0.666666667,0.375,0.16,0.111111111,0.040816327,0.03125,0,0,0,0.166666667,0.074074074,0.046875,0.022857143,0.022222222,0.010204082,0.015625,0,0,0,0.358524187,31.26412072,48.34375653,62.52824143,6.252824143,31.26412072,0.070144679,0.007014468,-2.65719533,225.9137237,22.59137237,5.420153173,26.3,161.8683304,4.321928095,3.610917913,4.262679877,4.96284463,5.638354669,6.350885717,7.03438793,7.751475318,8.43793351,9.156834104,76.20631367,2.944438979,0,4.007333185,0,5.231108617,0,6.532334292,0,7.874358825,8.183955717,144.1150298,5.54288576,18.65329825,1.865329825,5.301747397,5.301747397,0,150,8,2.624,36,1.2352,2.12158241,2.850713799,3.661376198,4.880759405,5.809153667,7.086863467,8.147945975,9.28620867,10.27007912,91.62129167,95.93343221,95.41632704,144.7588151,150.4518542,168.4675484,148.2218311,119.9326994,46.21406189,10.43505767,284.102958,319.4930971,349.6091066,517.7083256,593.1384217,648.4451542,751.940026,780.306911,566.049426,319.2325147,9.406569307,16.00720838,21.25906386,27.67428982,36.94008712,43.17529876,53.53015921,56.77542536,63.71273011,68.99915686,2.0225454,2.472849366,2.775478107,4.019029038,4.770774279,5.324750446,6.395323298,7.473591346,6.346995654,4.566209711,179.5630998,336.2821431,476.5279629,591.2165145,808.4854805,972.0827604,1196.956326,1348.073345,1611.748918,1899.118917,3.300023333,5.608678105,6.342263329,9.700999642,12.54496278,13.83330023,16.51586393,12.41530515,12.60228477,10.27007912,0.4520484,0.576500663,0.65524002,0.947359755,1.141852188,1.275997,1.514144833,1.61635436,1.407199839,1.051656102,413.6377967,347.8547254,13.21628724,181.7679449,-152.8603988,-19.40609815,231.8698518,500.7151242,32.62238538,0.694715835,0.584231392,0.022197111,0.305284165,-0.256733162,-0.032593065,246.2823191,207.1147008,7.869053303,108.225678,-91.01395911,-11.55450226,0.310881643,0.375631365,1.525182115,3.786934401,550.942609,44.46313263,0.92532297,0.07467703,710.1477289,26.64859713,8.921740098,865.1403062,29.41326752,9.52859457,1206.829674,34.73945414,10.6467076,2.516319101,2.516319101,1384.350724,1316.968261,90.77032608,1.051164835,15.25113751,14.50879729,4.892822753,5.645455692,10.96738828,0.942693181,4.475634913,6.190062996,3.832751298,21.14661438,9.369673121,1.753246829,5.635879024,8.453112546,9.885500428,1.344439828,4.314933598,3.639491596,4.182335764,0.676068309,2.8818695,6.80655065,4.711386858,0.404758153,3.653867229,0.012306063,1.860704562,9.58E-13,9.84E-47,1.95E-102,7.44E-180,5.49E-279,0,0,0,0,0.392116545,6.340943917,0.330720953,5.406239159,0.225538147,1.674962566,0.800181695,0.539421956,3.461480306,0.036201083,2.729625704,1.096556164,0.580222191,0.010941517,0.114235158,1.68785838,0.220578163,0.260598605,0.026123061,0.001024644,0.013105094,6.74E-15,6.93E-49,1.37E-104,5.24E-182,3.86E-281,0,0,0,0,1.218382569,6.059867195,0.815643206,6.411097846,0.873229926,1.528406995,1.405314455,1.374328913,3.630735394,0.167354168,2.505701871,0.953322755,0.940064244,0.054813652,0.322494951,2.291475213,0.827244371,0.286844231,0.269170768,0.003313025,0.136565187,7.03E-14,7.22E-48,1.43E-103,5.46E-181,4.03E-280,0,0,0,0,4.229749369,6.340617585,4.09638297,21.02628549,8.899522602,1.831372621,5.608432634,8.235526094,10.57144737,1.216278306,4.34688063,3.790412671,4.811376703,0.604781177,2.888916196,6.337099882,4.326793768,0.394807685,3.255797214,0.01161033,1.657854265,8.53E-13,8.76E-47,1.74E-102,6.63E-180,4.89E-279,0,0,0,0,1.788089992,5.953072815,1.075036198,7.468384642,1.547694228,1.483295947,1.865438566,2.041602081,3.864927582,0.297734114,2.530708134,1.025183536,1.049627932,0.112315832,0.494626174,2.836845821,1.335748186,0.30580536,0.58371926,0.004888201,0.296637836,1.53E-13,1.57E-47,3.11E-103,1.19E-180,8.75E-280,0,0,0,0,5.405000361,6.285574082,5.16383164,28.31599313,13.66247707,1.866733875,7.317787626,11.72206996,12.88728818,1.873546499,5.194510979,4.923928242,5.893576783,0.981588251,4.197583071,8.721941853,6.259882879,0.442877753,5.327555797,0.014887835,2.713662731,1.40E-12,1.43E-46,2.84E-102,1.09E-179,8.00E-279,0,0,0,0,2.836919372,6.278774352,3.269924049,19.21832789,5.784411232,1.970557574,4.618936225,7.10258479,13.68767251,0.560511776,3.781850164,6.083067941,7.010534328,0.26073907,1.877471901,4.367467845,2.189260674,0.474343939,1.35076828,0.009047112,0.686919293,3.54E-13,3.63E-47,7.19E-103,2.75E-180,2.03E-279,0,0,0,0,11.87177934,0.812705515,0.446274473,0.904119788,0.061893261,0.568696436,0.529058771,0.538444491,13.13075933,15.30902234,32.74555407,0.856179682,1.636199698,9.213731445,0.569241033,0.081101428,0.934069588,0.057708513,0.343116477,0.257282584,0.017782542,9.864073907,6.038247049,16.32768449,0.901104381,0.618181603,10.61117351,0.594813077,0.228378418,0.92800724,0.052019773,0.454475143,0.283374477,0.141009043,11.43436501,8.870870255,21.74668327,0.89201086,0.878858663,11.61893406,0.821062531,0.425105011,0.903135818,0.063820913,0.544804202,0.540071396,0.48857281,12.8651016,14.82817629,31.74872503,0.854703727,1.573448408,11.21279975,0.628340433,0.30183686,0.92339792,0.051745172,0.507328449,0.316266159,0.246309632,12.14297704,10.61954802,24.88910321,0.885096881,1.06990424,11.97464876,0.846861061,0.471148428,0.900846808,0.063708932,0.57859677,0.574467513,0.600139675,13.29265825,16.18169795,34.25220822,0.851270213,1.753203958,11.67023965,0.832925123,0.428294123,0.902468913,0.064410762,0.549669023,0.55575948,0.495930795,12.93145889,15.07546779,32.17013221,0.853703369,1.601359299 +UMLRON0234,L,"Hexanoic acid, ethyl ester",CCCCCC(=O)OCC,31265,Co optima database valuese measured by NREL,Sandia,,C8H16O2,PubChem,,76.5,0,-0.5943,0.35319249,28.1502,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1500.364299,1093.539141,892.809884,658.269575,471.635182,127.119888,9.144576,3346.887898,3979.09551,4674.696811,4229.393957,3468.224171,2735.992706,1994.669063,1120.963057,279.7536999,152.568096,145.6753,259.36554,290.811108,225.629696,202.915748,133.768576,111.43008,60.466176,23.35516286,28.53615172,35.91568508,33.79709197,28.20421271,22.72114496,16.77380788,10.95324725,4.001516144,3350.680532,2804.677982,5510.452524,6441.739092,4987.659569,4623.723082,2984.992532,2583.794029,1664.258868,90.77777778,54.58333333,100,94.58333333,74.33333333,65.16666667,51.5,39,9,69.4856748,68.35965826,44.12836174,28.77734582,29.76032947,24.38035463,26.20195456,8.4746592,1.016064,167.3443949,209.4260795,137.4910827,111.299841,115.6074724,101.3330632,110.8149479,74.73087045,31.08374443,7.6284048,7.667121053,7.628398235,7.652923895,7.520989867,7.515398074,7.431587556,7.428672,6.718464,1.167758143,1.501902722,1.056343679,0.889397157,0.940140424,0.841523887,0.931878216,0.730216483,0.444612905,167.5340266,147.6146306,162.0721331,169.5194498,166.255319,171.2490031,165.8329184,172.2529352,184.917652,4.538888889,2.872807018,2.941176471,2.489035088,2.477777778,2.413580247,2.861111111,2.6,1,0.263471322,-0.1595639,0.081759253,-0.050728747,-0.003630118,-0.00962487,0.021262404,-0.018112694,0.006903012,715.056216,-13.739645,42.068427,-154.431627,-119.176036,-36.355609,-96.096818,-187.1568,207.36,931.2646053,-148.2416011,-210.4695091,25.37537669,-155.2107675,107.2342175,-152.1352724,-196.0622248,263.877478,1.9334688,0.00145024,0.75963024,-0.78358752,-0.3222448,-0.41465248,-0.13838432,-0.2779776,0.20903184,4.097118945,-1.072153629,-1.377869305,0.629194129,-0.682853157,0.777756017,-0.675710977,-0.537017433,0.890094883,23.01673804,-6.548761719,-7.89227958,3.964362048,-3.836123006,4.554831377,-3.721214278,-2.432661993,4.403478133,37.42222222,-0.895555556,14.03222222,-11.47444444,-5.7,-6.536666667,-2.563333333,-9.183333333,3.61,0.013173566,-0.0083981,0.002404684,-0.001334967,-1.21E-04,-3.56E-04,0.001181245,-0.001207513,7.67E-04,35.7528108,-0.723139211,1.237306676,-4.063990184,-3.972534533,-1.346504037,-5.338712111,-12.47712,23.04,46.56323026,-7.80218953,-6.190279679,0.667773071,-5.173692252,3.971637685,-8.451959578,-13.07081499,29.31971978,0.09667344,7.63E-05,0.022342066,-0.020620724,-0.010741493,-0.015357499,-0.007688018,-0.01853184,0.02322576,0.204855947,-0.056429138,-0.040525568,0.01655774,-0.022761772,0.028805778,-0.037539499,-0.035801162,0.098899431,1.150836902,-0.344671669,-0.23212587,0.104325317,-0.127870767,0.168697458,-0.206734127,-0.162177466,0.489275348,1.871111111,-0.047134503,0.412712418,-0.301959064,-0.19,-0.242098765,-0.142407407,-0.612222222,0.401111111,-0.637496327,0.182538569,-0.1013368,-0.009185359,-0.027059998,0.089667799,-0.091661814,0.058222759,-0.02022608,0.034607256,-0.11366911,-0.111111111,-0.037661488,-0.149322864,-0.348982911,0.644424857,-0.167561174,-0.132943519,0.01434121,-0.111111111,0.085295579,-0.181515748,-0.280711087,0.629675382,7.90E-04,0.231108626,-0.213302891,-0.111111111,-0.158859551,-0.079525646,-0.191695258,0.240249649,-0.275457653,-0.197824707,0.080826261,-0.111111111,0.140614802,-0.183248274,-0.174762621,0.482775496,-0.299496539,-0.201701796,0.090651696,-0.111111111,0.146586765,-0.179638076,-0.140921329,0.425147427,-0.025190649,0.22057077,-0.161379547,-0.101543943,-0.129387701,-0.076108472,-0.32719715,0.214370546,1.614770191,0.88688163,1.215119583,0.971888758,1.073202003,0.817645177,0.673700192,0.003845996,1.04922138,0.951186959,1.105288984,1.055555556,0.977734979,1.058345506,1.240515037,0,1.505949528,1.1618184,0.862503782,1.055555556,0.766062269,1.134803606,1.088878456,0,0.713221749,0.738250888,1.413593537,1.055555556,1.206469334,0.892577113,1.154931696,0,1.749688453,1.254801494,0.776384745,1.055555556,0.677559111,1.138918354,0.941917017,0,1.787392882,1.264308948,0.773970285,1.055555556,0.670008885,1.130344134,0.902603949,0,0.583432304,0.465617141,1.193586698,1.046466746,1.175277118,1.425611144,1.929334917,0,34.50014801,17.500074,27.93741811,34.87514801,4.359393501,17.5000741,0.5,0.18607285,0.023259106,-1.345293613,41.62163315,5.202704143,2.982896048,34.51364406,17.50608761,27.94750404,34.88754243,4.360942803,17.5060877,0.498531158,0.185850434,0.023231304,-1.346250439,41.74045697,5.217557121,2.98517668,46.52825888,22.86513496,37.3041145,45.92976716,5.741220895,22.86513496,-0.797988956,0.044440943,0.005555118,-2.490875276,27.85083888,3.48135486,2.66149047,34.5278086,17.5123991,27.95809097,34.9005508,4.362568849,17.51239919,0.4969896,0.18561719,0.023202149,-1.347255077,41.86680104,5.23335013,2.98759454,59.33203958,28.58372553,47.69962126,57.70859819,7.213574773,28.58372553,-2.164588529,0.031846802,0.00398085,-2.75745465,26.55665637,3.319582047,2.623424342,35.91442872,18.13034855,29.00125913,36.17413,4.52176625,18.13034859,0.346268372,0.163702022,0.020462753,-1.447765953,94.39914485,11.79989311,3.638025611,33.51626502,17.03992162,27.81795691,34.10316978,4.262896222,17.03992181,1.173809524,0.329501074,0.041187634,-0.888140533,26.038756,3.2548445,2.607668835,0,11.89,15.99591765,-0.31586015,0.301592178,3.682449468,6.502824698,7,19,18,18,6,1,1,0,0,1,15.992484,3.500630443,3.250120499,2.714895856,2.141477353,1.917060997,1.332129405,0.948258328,0.083923071,1.821305047,1.569929961,1.371148277,0.906015277,0.595941221,0.456559797,0.083923071,0.083923071,3.417552268,3.192262627,2.725476731,2.092255199,1.868778465,1.379458315,0.603774058,0.270913902,1.780485008,1.574600976,1.289549175,0.829987484,0.601206544,0.419560757,0.270913902,0.270913902,3.602695513,3.393823465,2.963492019,2.454301051,2.244300135,1.840352289,1.22636372,0.943918427,1.563920922,1.317994844,0.980116579,0.409179076,0.172888313,0.099689239,0.943918427,0.943918427,3.421095,3.17469022,2.75326062,2.103666874,1.879646004,1.450770231,0.459589502,0.399277246,1.766306475,1.572972777,1.236896556,0.790655613,0.592160761,0.326861,0.399277246,0.399277246,3.637317587,3.430233647,3.056783369,2.550498221,2.34400438,2.023192543,1.208936353,1.207644823,1.513561485,1.284205674,0.888020188,0.303971082,0.086507277,0.282295867,1.207644823,1.207644823,4.861486978,3.463495406,3.097686348,2.797756057,2.362714722,1.756646356,1.451447193,0.590163934,1.683714577,1.233045469,1.095116549,0.567908076,0.202127915,0.13822051,0.590163934,0.590163934,0,0,1,0,0,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.083333333,0,0,0,0.288675135,0.204124145,0.144337567,0.058925565,0.041666667,0.029462783,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,5.437816924,2.904030206,1.693596727,0.803216163,0.36023509,0.17380035,0.101631566,0,0.679727116,0.414861458,0.24194239,0.160643233,0.090058773,0.05793345,0.050815783,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.3496,31.541,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.73967971,-0.181990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.51231576,0.5125,0,0,0,0,0,0,0,0,0,0,3.485273998,0,2.623703704,0,0,0,0,0,0,-0.181990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.09634637,4.643333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.643333333,-0.181990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272454649,0.5125,0,0,0,0,0,0,0,0,0,0,1.42625,0,0.575231481,0,0,0,0,0,0,-0.181990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.09634637,4.643333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.09634637,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,2.059023998,0,1.076666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.09634637,4.643333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.66666667,2.583333333,0.644975907,10.09634637,0.265555556,-0.181990741,2.795924247,1.848657407,3.096346372,8.597407407,1.848657407,3.096346372,8.597407407,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.36364,0.13636,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,5.67104,0.70888,8.40872,2.73768,0.34221,2.65409,0.33176,3.77005,1.11596,0.1395,0.14395,0.01799,0.14395,0.01799,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,2.070950594,3.346439345,3.546439345,3.546439345,3.33034294,25.90923688,41.41901189,66.92878689,70.92878689,70.92878689,66.6068588,0.299741647,0.479172848,0.774293156,0.820568799,0.820568799,0.770568799,3.026466251,2.2509775,0.97548875,0.77548875,0.77548875,0.991585155,0.299741647,0.479172848,0.774293156,0.820568799,0.820568799,0.770568799,12.01211119,21.71746765,24.10215464,24.30371965,24.30371965,21.71056279,29.38046565,17.93632218,16.22221018,15.69343894,15.69343894,14.39686051,8,5.142857143,7.2,8,3,4,1.9,1.0284,0.166666667,2.249576847,0.894427191,0,2.381101578,1.040041912,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,3.358,7,5,4,3,2,0,0,0,0,36,2.197224577,2.302585093,1.945910149,1.791759469,1.609437912,1.386294361,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,26.3,127.2763612,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,116.0837296,5.804186481,14.66595917,1.833244896,5.216499833,5.216499833,0,79,5,1.591,28,1.230631579,2.107918638,2.853134227,3.653882031,4.795544934,5.791635925,6.965917857,7.802462487,0,0,94.58963281,102.4202046,93.08542556,129.2091942,130.5922439,168.5364061,60.43670856,7.927801245,0,0,279.0386343,309.1169811,342.8944298,473.8583665,524.7238099,693.1158109,534.6753242,242.5297499,0,0,9.500427541,16.20331326,21.89434951,27.60499927,36.18808614,42.9893138,51.67451113,52.42056333,0,0,1.953218228,2.32659121,2.676717754,3.746180655,4.266250977,5.749000252,5.217158362,3.469075511,0,0,180.0610686,338.5646481,480.5209183,596.6441771,815.1385625,947.475228,1193.44104,1442.813043,0,0,3.636017544,6.534565569,7.21519877,9.181540495,11.75277701,16.64968367,17.97858853,7.802462487,0,0,0.448387105,0.565067128,0.656599323,0.896429878,1.031118231,1.349466149,1.261537936,0.798972159,0,0,368.5735154,269.1589328,13.11073224,178.9509508,-130.6828758,-20.90325156,189.6225647,399.8418086,34.01398381,0.673163554,0.491592521,0.023945473,0.326836446,-0.238679518,-0.038177749,201.8030173,147.371101,7.178446674,97.9800238,-71.55207181,-11.44504165,0.35372805,0.432473349,3.203789809,3.76880309,490.5942831,56.9301831,0.896022577,0.103977423,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,950.3028124,30.82698189,9.831520102,2.061351231,2.061351231,726.0954081,669.3967886,73.42801577,1.084701063,9.888533695,9.116367664,4.221732772,4.466158665,8.529789551,0.90987159,3.360032699,4.293028381,3.358213502,13.95267678,5.337512191,1.4668465,4.780520974,6.791104618,1.499396077,2.959560315,2.860596092,1.474822786,1.556683321,3.682205535,0.042739644,1.946808283,5.00E-10,2.63E-41,2.68E-94,5.24E-169,1.98E-265,0,0,0,0,0,0,0,0,0,0.298491782,4.443993512,0.305851083,5.050066213,0.242949038,1.325449919,1.705210947,0.489461561,0.256847795,0.230835515,2.014191352,0.105201593,0.225186518,0.02601786,0.003584233,0.01371153,3.52E-12,1.85E-43,1.88E-96,3.69E-171,1.40E-267,0,0,0,0,0,0,0,0,0,0.91615042,4.162911006,0.702620295,4.782310664,0.630424497,1.33322088,1.558605959,1.221075909,0.300435373,0.469342688,2.181740782,0.290747713,0.340402237,0.270466581,0.011572061,0.142884713,3.67E-11,1.93E-42,1.96E-95,3.85E-170,1.45E-266,0,0,0,0,0,0,0,0,0,3.176711882,4.44359216,3.657124959,14.11479787,5.465591539,1.466449582,5.499890736,6.669290253,1.451348308,3.347041315,2.807310324,1.471983848,1.461770294,3.280835917,0.040340941,1.734571131,4.45E-10,2.35E-41,2.38E-94,4.67E-169,1.77E-265,0,0,0,0,0,0,0,0,0,1.342655413,4.056109269,0.901783862,5.162670851,0.920066577,1.343459173,1.538245683,1.771328398,0.390809739,0.558472177,2.298327498,0.4177826,0.455337269,0.587284735,0.017056828,0.310364691,7.97E-11,4.20E-42,4.27E-95,8.36E-170,3.16E-266,0,0,0,0,0,0,0,0,0,4.057749124,4.38850086,4.574267035,18.32275477,7.781645779,1.525635399,6.34198771,9.287309528,2.04425206,4.294955111,3.060892419,1.971950235,2.137275882,5.369880395,0.05162282,2.839236917,7.29E-10,3.84E-41,3.90E-94,7.65E-169,2.89E-265,0,0,0,0,0,0,0,0,0,2.093644735,4.477232829,2.900511373,16.02163727,3.696245843,1.377734061,7.035654087,5.519217841,1.160750809,2.729436661,2.661059819,1.348778181,1.058098963,1.282864034,0.029760058,0.678060611,1.74E-10,9.17E-42,9.32E-95,1.83E-169,6.90E-266,0,0,0,0,0,0,0,0,0,7.373998833,0.81450762,0.414987615,0.857093499,0.094671724,0.567195166,0.484713935,0.499981437,8.603494067,9.404307002,20.50029065,0.785640248,1.551890538,6.001986767,0.580757656,0.072022644,0.901907866,0.087269419,0.384761524,0.225879396,0.015059888,6.654767067,3.959806425,10.86562281,0.8528618,0.625700807,6.672986432,0.613460714,0.210524282,0.890090952,0.081827805,0.466313652,0.27735114,0.128673169,7.496971428,5.627589072,13.98636586,0.835136427,0.872337961,7.237144103,0.826795896,0.391942828,0.855870907,0.097777596,0.547041793,0.502979387,0.445994038,8.455882827,9.144244493,19.94537251,0.78380636,1.496015218,6.99501676,0.63818221,0.281990891,0.883745922,0.08062753,0.510685567,0.298771665,0.230862698,7.91518986,6.616587827,15.79061188,0.825618883,1.04031993,7.43323504,0.847294052,0.437491478,0.852628757,0.097188811,0.576332855,0.524427695,0.555677491,8.718020569,9.920796747,21.39419807,0.778943135,1.656438041,7.313177127,0.840097406,0.395511045,0.855463862,0.098270965,0.558779481,0.519745651,0.454151592,8.548785578,9.368491264,20.34721014,0.783195793,1.532676724 +UMLRON0235,L,Butyl acetate,CCCCOC(=O)C,31272,MON from [11],"Sandia, UML","[9], [11]",C6H12O2,PubChem,,101.1,0,0.2153,0.04635409,33.6077,23.259102,0,0,23,9,14,0,7,0,2,0,0,0,0,0,0,0,1536.009745,1467.311804,1815.138845,1356.842014,1142.591153,844.903968,816.150476,245.0952,18.289152,3832.572288,4632.085644,5813.371337,5738.109533,4666.711802,3477.31635,2868.375069,1962.172413,559.5073998,173.54554,167.45108,302.118764,356.091016,349.120604,272.06292,156.107072,162.393984,120.932352,27.03328867,33.55214034,44.60979951,46.83220926,40.35647404,28.66848204,22.59436852,17.90497835,8.003032287,3847.310193,3237.717434,6440.121636,7729.923621,8125.360835,6262.453633,3386.191035,3503.329189,3328.517736,96.30555556,61,110.4166667,113.6666667,99.05555556,81.83333333,65,69,18,66.78303239,66.69599109,45.37847112,28.86897902,23.80398235,23.46955467,38.86430838,11.6712,1.016064,166.6335777,210.5493475,145.3342834,122.0874369,97.22316254,96.59212084,136.589289,93.43678159,31.08374443,7.545458261,7.611412727,7.5529691,7.576404596,7.273345917,7.557303333,7.433670095,7.733046857,6.718464,1.175360377,1.525097288,1.115244988,0.996429984,0.840759876,0.796346723,1.07592231,0.852618017,0.444612905,167.2743562,147.1689743,161.0030409,164.46646,169.2783507,173.9570454,161.2471921,166.8251995,184.917652,4.187198068,2.772727273,2.760416667,2.418439716,2.063657407,2.273148148,3.095238095,3.285714286,1,0.267223832,-0.160350649,0.086617972,-0.07158892,0.028090694,-0.047443905,0.060777726,-0.043679404,0.01396457,799.1117029,-15.00476101,115.5881665,-452.8744297,128.8793721,14.1804749,-1.71034462,-578.2051731,389.5908434,1081.795272,-149.5950004,-66.47700414,-457.8567881,16.62349154,360.6377998,-105.9878193,-655.5397312,517.2974161,1.975925913,0.013204083,0.812761369,-0.810222866,0.066746442,-0.67692369,-0.005039138,-0.737355834,0.348866677,4.769103567,-1.066326256,-0.682196631,-1.267374646,-0.645870812,2.253249883,-0.822703413,-1.963056398,1.80972649,26.67799994,-6.490143964,-4.002168585,-5.854120824,-4.766507204,13.04471227,-5.09057928,-9.251533227,9.07134085,38.38164251,-1.558286074,15.69376181,-13.94533711,0.411258139,-8.68068683,3.626181474,-20.93903592,6.201323251,0.011618427,-0.007288666,0.002165449,-0.001523169,5.85E-04,-0.001317886,0.002894177,-0.002079972,7.76E-04,34.74398708,-0.682034591,2.889704163,-9.635626164,2.68498692,0.393902081,-0.081444982,-27.53357967,21.64393574,47.03457702,-6.799772747,-1.661925103,-9.74163379,0.34632274,10.01771666,-5.047039016,-31.21617768,28.73874534,0.085909822,6.00E-04,0.020319034,-0.017238784,0.001390551,-0.018803436,-2.40E-04,-0.035112183,0.019381482,0.207352329,-0.048469375,-0.017054916,-0.026965418,-0.013455642,0.062590275,-0.039176353,-0.093478876,0.100540361,1.159913041,-0.295006544,-0.100054215,-0.124555762,-0.099302233,0.362353119,-0.242408537,-0.440549201,0.503963381,1.668767066,-0.070831185,0.392344045,-0.2967093,0.008567878,-0.24113019,0.172675308,-0.997096948,0.344517958,-0.627336693,0.186380585,-0.131099369,0.050370223,-0.113430691,0.249102338,-0.179023506,0.066774049,-0.019630291,0.083171346,-0.277332194,0.077279183,0.011337273,-0.002344146,-0.792470352,0.622954864,-0.144569659,-0.035334114,-0.207116432,0.007363152,0.212986218,-0.107304867,-0.663685732,0.611013156,0.006986228,0.236515845,-0.20066139,0.016186169,-0.218874109,-0.002793149,-0.408709756,0.225602632,-0.233753706,-0.0822509,-0.130046371,-0.064892649,0.301854697,-0.188936161,-0.450821443,0.484876929,-0.254335052,-0.0862601,-0.107383707,-0.085611792,0.312396797,-0.208988544,-0.379812267,0.434483761,-0.04244522,0.235110132,-0.177801508,0.005134256,-0.144496014,0.103474782,-0.597505169,0.206450598,1.616503774,0.865191685,1.191426999,0.671543722,1.376530495,1.047810735,1.093519896,0.004168938,1.090358552,0.921021686,1.280474632,0.797246519,0.971271156,0.961733539,1.8361399,0,1.504503624,1.098818674,1.182149628,0.885668815,0.579815593,1.163841646,1.550523893,0,0.709899086,0.71758318,1.323019671,0.726042067,1.544769907,0.798980506,1.8693639,0,1.714180848,1.17704081,1.118315613,0.933384724,0.44453025,1.272906581,1.338521962,0,1.747015013,1.186280531,1.104733948,0.941609089,0.439395449,1.291705128,1.288127277,0,0.611548143,0.444421806,1.145365076,0.731415198,1.158101706,1.228265756,3.111606581,0,42.62129875,21.56064937,34.1586465,43.01018764,4.778909737,21.56064938,0.5,0.111382399,0.012375822,-1.975307367,35.81880674,3.979867415,3.220625775,42.63601283,21.56727199,34.16980779,43.02375928,4.780417698,21.56727199,0.498531158,0.111156753,0.01235075,-1.977132498,35.83882573,3.982091747,3.221128641,55.74614786,27.47407945,44.49970758,55.12548978,6.12505442,27.47407945,-0.797988956,0.038863666,0.004318185,-2.922925955,36.40266122,4.044740136,3.235177694,42.65145577,21.57422268,34.18152335,43.03800324,4.78200036,21.57422269,0.4969896,0.110920094,0.012324455,-1.97905069,35.85993398,3.984437109,3.221658564,69.73352074,33.78446611,55.98536987,68.04995188,7.561105765,33.78446611,-2.164588529,0.126762249,0.014084694,-1.858897801,31.13510988,3.459456653,3.094502506,44.16340824,22.25483831,35.33522176,44.43272809,4.936969787,22.25483831,0.346268372,0.088552544,0.009839172,-2.181743263,38.52385856,4.280428728,3.286149977,45.2760262,22.8898902,37.10904816,45.88373595,5.098192884,22.8898902,1.093877551,0.26609404,0.029566004,-1.19151495,33.27680116,3.697422351,3.154374443,0,11.89,15.99591816,-0.3158537,0.301597273,3.72174632,7.38678967,8,22,21,21,7,1,1,0,0,1,18.178898,3.530650577,3.333707545,2.783488641,2.333552793,2.130847927,1.835350489,1.064569886,0.910835892,1.871314501,1.580724241,1.395006124,1.249629723,0.815265191,0.464826884,0.378640716,0.083923071,3.491950749,3.230908333,2.787190145,2.405454588,2.060868288,1.778246958,1.112381665,0.603720609,1.825384061,1.597132889,1.31799191,1.134540686,0.768710368,0.549685472,0.222194328,0.270913902,3.644709023,3.444106903,3.011059426,2.704236987,2.431112963,2.159896592,1.595625026,1.226320415,1.632584438,1.340309875,1.022947278,0.76031856,0.345239105,0.113445065,0.322613111,0.943918427,3.50326518,3.203015583,2.811430509,2.457539916,2.057320163,1.798324199,1.196040825,0.45958949,1.803194982,1.607309773,1.26888176,1.058262671,0.75225958,0.524505911,0.115968674,0.399277246,3.687599931,3.464858569,3.097239637,2.838982085,2.512466843,2.269670165,1.797568285,1.208936353,1.582211441,1.314339889,0.937499198,0.631337262,0.259790044,0.009399352,0.521896405,1.207644823,4.821892696,3.51678269,3.151527531,2.790720358,2.631436576,2.288243538,1.573328223,1.268241441,1.762806111,1.272463564,1.137837674,0.881436576,0.487076206,5.95E-04,0.125042309,0.583333333,0,0,1,0,0,4,1,1,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.491581624,0,0,0,0.577350269,0.40824829,0.23570226,0.3476007,0.159517797,0.082981826,7.276020882,4.125897658,3.71859736,1.562948829,0.934347711,0.471404521,0.471404521,0,0.808446765,0.515737207,0.413177484,0.260491471,0.186869542,0.11785113,0.11785113,0,6.308060412,3.259872254,2.522565321,1.000526604,0.438356565,0.200832957,0.165963653,0,0.700895601,0.407484032,0.280285036,0.166754434,0.087671313,0.050208239,0.041490913,0,12.22239284,22.87618354,21.77647059,22.12,13.55036048,177.5068275,0.531408384,0.994616676,0.946803069,0.96173913,0.589146108,7.717688154,1.5956,36.088,24.78957267,39.15799293,49.57914534,5.508793927,24.78957267,1.11E-16,1.23E-17,-33.06312051,2000018.186,222224.2429,13.05780015,76,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,1,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.91676682,-0.184583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.784770408,0.5125,0,0,0,0,0,0,0,0,0,0,5.63226096,0,1.520416667,0,0,0,0.615138889,0,0,-0.184583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.20301682,4.71375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.71375,-0.184583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272454649,0.5125,0,0,0,0,0,0,0,0,0,0,1.43087963,0,0.5625,0,0,0,0.615138889,0,0,-0.184583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.20301682,4.71375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.20301682,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,2.100690665,0,0.957916667,0,0,0,0.615138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.20301682,4.71375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.5,2.5,0.619465703,10.20301682,0.225555556,-0.184583333,3.453437846,1.85125,3.203016818,9.236296296,1.85125,3.203016818,9.236296296,4.16666,0.46296,0,0.03704,0.52319,0.87037,0.42414,0.52319,0.87037,0.09905,0,-0.09905,0,0.53191,0.18238,0,0.44,0.24,0,6.25,0.69444,4.75,0.52778,1.5,0.16667,-3.25,-0.36111,0,0,7.40588,0.82288,10.3323,2.92642,0.32516,3.00992,0.33444,4.12588,1.11596,0.124,0.28812,0.03201,0.28812,0.03201,0,8.02,2,2,2,2,0,0,0.857142857,1.264672679,2.119085047,3.381620108,3.381620108,3.381620108,3.184943501,29.08747163,48.73895608,77.77726248,77.77726248,77.77726248,73.25370053,0.279574524,0.468454963,0.747556934,0.747556934,0.747556934,0.704078673,3.258889277,2.404476909,1.141941848,1.141941848,1.141941848,1.338618455,0.279574524,0.468454963,0.747556934,0.747556934,0.747556934,0.704078673,11.60803893,22.20837122,23.48078566,23.48078566,23.48078566,21.12066638,32.94327953,18.82721372,18.33036391,18.33036391,18.33036391,17.15030427,9,4.839506173,8,9,3,4,2.01,1.1693,0.721124785,2.182247272,2.683281573,0,1,2.149139864,0,0.25,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.426,0.519,0.065,3.629,9,6,5,4,4,0,0,0,0,45,2.302585093,2.48490665,2.079441542,1.945910149,1.791759469,1.945910149,0,0,0,0,3.988984047,1.177777778,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.5,7,0.875,0,3,6,1,2.5,0.666666667,0.375,0.16,0.222222222,0,0,0,0,0,0.3125,0.074074074,0.0625,0.032,0.055555556,0,0,0,0,0,0.53662963,24.78957267,39.15799293,49.57914534,5.508793927,24.78957267,1.11E-16,1.23E-17,-33.06312051,2000018.186,222224.2429,13.05780015,26.3,144.5723458,4.169925001,3.555348061,4.17438727,4.905274778,5.549076085,6.282266747,6.932447892,7.666221926,8.318010278,9.051930635,73.43496367,2.833213344,0,3.970291914,0,5.220355825,0,6.517671273,0,7.83873756,8.153061947,130.0993797,5.656494769,16.49829985,1.833144428,5.224562611,5.224562611,0,108,6,2.099,34,1.233227273,2.115064415,2.888658606,3.559872534,4.505590128,5.712427748,6.639569481,7.351865561,0,0,92.90307534,106.3885835,91.82326581,101.065275,122.8181982,234.2132803,76.64955627,7.469965929,0,0,281.9160909,330.5722651,373.0939796,382.4755409,483.728826,824.1255286,628.2431018,228.5235102,0,0,9.447098999,16.09015866,21.91701097,26.01648134,34.32741433,42.4377693,50.81572602,49.3932441,0,0,1.992608666,2.484626131,2.995523153,3.196844347,3.871555961,6.450798613,5.795396826,3.268734303,0,0,179.7781318,336.9320426,472.192301,595.7768929,775.7792093,911.4480788,1100.233885,1359.489718,0,0,3.503647727,6.154840516,7.047396301,7.525978747,10.67085523,17.61083754,20.69409362,7.351865561,0,0,0.450467386,0.585389512,0.706875481,0.760087784,0.949489644,1.497203951,1.404940718,0.752831033,0,0,388.8698402,302.7723751,13.23168269,147.9111318,-115.1629672,-18.75496579,240.9587085,417.9353423,31.98664848,0.724447886,0.564051989,0.024650059,0.275552114,-0.214543684,-0.034939699,208.7379308,162.5224498,7.102515496,79.39588108,-61.81728949,-10.06730876,0.33177405,0.405619087,3.004947784,3.534780749,479.8507889,56.9301831,0.893941503,0.106058497,648.0661598,25.45714359,8.653791915,783.6846649,27.99436845,9.219636166,1104.299863,33.23100756,10.33623416,1.931047351,1.931047351,848.413558,775.9603287,117.010026,1.093372337,7.250776596,6.631571287,4.533434213,4.466160583,8.529792325,0.909871391,3.917833806,5.241531868,3.968188939,17.33713481,5.487319365,4.854260337,5.618743237,7.338204229,3.021884163,3.640424959,4.584229577,2.153659605,2.313843894,3.941135033,0.790402357,1.946808285,5.00E-10,2.63E-41,2.68E-94,5.24E-169,1.98E-265,0,0,0,0,0,0,0,0,0,0.345304163,5.392468617,0.328144591,7.26019547,0.740501274,1.469816668,1.690450507,0.505666752,1.564708797,0.278732884,2.164901965,0.176871486,0.276360205,0.028016386,0.008850083,0.01371153,3.52E-12,1.85E-43,1.88E-96,3.69E-171,1.40E-267,0,0,0,0,0,0,0,0,0,1.067266495,5.111388086,0.793627845,7.452699065,1.110681923,1.818610563,1.62507561,1.277511007,1.485479724,0.630051611,2.571448611,0.429035258,0.513747789,0.2899198,0.066446274,0.142884714,3.67E-11,1.93E-42,1.96E-95,3.85E-170,1.45E-266,0,0,0,0,0,0,0,0,0,3.703230625,5.392092559,4.21299437,17.5053889,5.655680231,4.710889815,5.925678733,7.19536672,3.188868036,3.983357766,4.621015017,2.093373111,2.167950941,3.511657842,0.706494957,1.734571133,4.45E-10,2.35E-41,2.38E-94,4.67E-169,1.77E-265,0,0,0,0,0,0,0,0,0,1.565372702,5.004588839,1.055176961,8.083525793,1.372510767,2.115372542,1.776072555,1.86659743,1.500222675,0.801489382,2.821855464,0.618819995,0.719062964,0.629109427,0.136250951,0.310364691,7.97E-11,4.20E-42,4.27E-95,8.36E-170,3.16E-266,0,0,0,0,0,0,0,0,0,4.731374743,5.337017315,5.405156355,21.59591407,7.760743715,6.240998495,7.422624671,10.08048565,3.811207022,5.147345539,5.336981214,2.886512768,3.092002977,5.746934377,1.142018619,2.83923692,7.29E-10,3.84E-41,3.90E-94,7.65E-169,2.89E-265,0,0,0,0,0,0,0,0,0,2.456710395,5.04658818,3.039826038,19.17852389,4.012905403,3.215997613,6.472728496,5.671088178,3.941120726,3.088939976,4.551768787,1.644201782,1.494288693,1.342221876,0.283488161,0.662455597,1.70E-10,8.96E-42,9.11E-95,1.78E-169,6.75E-266,0,0,0,0,0,0,0,0,0,7.075492423,1.138053757,0.537981434,0.808486556,0.130040583,0.52911569,0.473179422,0.440885602,8.751527613,12.47102608,25.55453661,0.712729834,1.443180713,6.080755138,0.735783168,0.175359154,0.869685972,0.10523369,0.39793418,0.182438056,0.042416961,6.991897461,5.669459673,13.44593456,0.804528958,0.622789197,6.508817798,0.862521644,0.32041132,0.84620758,0.112135933,0.44913034,0.267218819,0.153757209,7.691750762,7.975856831,17.46639554,0.76931137,0.870106368,6.998232034,1.127033142,0.520251185,0.809463743,0.13036042,0.518128894,0.46148539,0.409191345,8.64551636,12.11441827,24.86328029,0.714195615,1.38880563,6.725749786,0.934599775,0.388719934,0.835593455,0.116112773,0.47830233,0.318442775,0.229855311,8.049069495,9.263614811,19.75613281,0.753390182,1.026600416,7.133769984,1.174235943,0.56392502,0.804083128,0.132354044,0.537862423,0.503712413,0.484353166,8.871930947,13.06182154,26.65759963,0.706124691,1.525928003,7.056318456,1.14074649,0.525322189,0.808989368,0.130783749,0.526903329,0.472158271,0.416606054,8.722387135,12.35557061,25.30652322,0.713484052,1.415667654 +UMLRON0236,L,3-Methylbutyl acetate,CC(C)CCOC(=O)C,31276,,"Sandia, UML",[11],C7H14O2,PubChem,,100.6,0,-0.038,0.001444,35.3026,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1190.529654,1013.078141,826.396372,643.778859,461.161346,278.543833,84.835296,3885.475125,4800.404174,5835.09088,5418.88368,4464.654462,3634.760223,2804.865983,1974.971743,1061.424631,167.819552,166.665724,297.486168,362.252084,293.047888,250.717548,208.387208,166.056868,123.32736,29.42500648,37.33900896,50.13168111,49.55779744,40.76058708,33.74182834,26.7230696,19.70431086,12.01662072,3973.037281,3337.521256,6591.128897,8625.609131,6929.941219,5973.943916,5017.946613,4061.94931,3137.747111,41,48.5,72.25,79.25,64.75,54.25,43.5,34,24,48.76541633,52.3287937,28.34594414,19.48227194,19.6761041,17.88274608,15.37204487,11.60599304,4.713072,161.8947969,208.713225,138.9307352,104.2093015,106.3012967,100.9655617,93.49553276,82.29048929,58.96803508,6.992481333,7.246335826,7.083004,6.966386231,6.977330667,6.964376333,6.946240267,6.919036167,6.85152,1.226041937,1.623435172,1.193611455,0.953034566,0.970490169,0.93727301,0.890768987,0.821012953,0.66759004,165.54322,145.1096198,156.9316404,165.8770987,164.9986005,165.9428866,167.2648871,169.2478879,174.3192839,1.708333333,2.108695652,1.720238095,1.524038462,1.541666667,1.506944444,1.45,1.416666667,1.333333333,0.048042929,-0.004267344,-0.021216894,-0.001813525,-2.64E-04,6.86E-05,-0.001591007,0.001200155,-9.49E-04,645.6853813,-53.80711511,-242.132018,13.45177878,-40.35533633,-40.35533633,-40.35533633,-40.35533633,-2.74E-13,1200.679538,-100.0566282,-450.2548269,25.01415705,-75.04247115,-75.04247115,-75.04247115,-75.04247115,8.53E-14,0.126485333,-0.010540444,-0.047432,0.002635111,-0.007905333,-0.007905333,-0.007905333,-0.007905333,-1.09E-15,5.367596186,-0.447299682,-2.01284857,0.111824921,-0.335474762,-0.335474762,-0.335474762,-0.335474762,-4.47E-15,29.15686767,-2.429738973,-10.93382538,0.607434743,-1.822304229,-1.822304229,-1.822304229,-1.822304229,4.15E-14,3.5,-0.5625,-0.875,-0.125,-0.25,-0.125,-0.25,0.25,-0.375,0.002001789,-1.86E-04,-5.05E-04,-3.49E-05,-6.29E-06,1.90E-06,-5.30E-05,5.00E-05,-5.27E-05,26.90355756,-2.339439787,-5.765048048,0.258688053,-0.960841341,-1.120981565,-1.345177878,-1.681472347,-1.52E-14,50.0283141,-4.350288182,-10.72035302,0.481041482,-1.786725503,-2.084513087,-2.501415705,-3.126769631,4.74E-15,0.005270222,-4.58E-04,-0.001129333,5.07E-05,-1.88E-04,-2.20E-04,-2.64E-04,-3.29E-04,-6.03E-17,0.223649841,-0.019447812,-0.047924966,0.002150479,-0.007987494,-0.009318743,-0.011182492,-0.013978115,-2.48E-16,1.214869486,-0.105640825,-0.260329176,0.011681437,-0.043388196,-0.050619562,-0.060743474,-0.075929343,2.31E-15,0.145833333,-0.024456522,-0.020833333,-0.002403846,-0.005952381,-0.003472222,-0.008333333,0.010416667,-0.020833333,-0.092685449,-0.25235638,-0.017422159,-0.003144619,9.52E-04,-0.026493089,0.024980877,-0.0263425,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,-5.65E-16,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,9.47E-17,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,-1.14E-14,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,-1.11E-15,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,1.90E-15,-0.167701863,-0.142857143,-0.016483516,-0.040816327,-0.023809524,-0.057142857,0.071428571,-0.142857143,1.420179723,1.328515501,1.037280547,1.052505826,0.981226352,0.903692839,0.669706074,0.604795484,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.571428571,1.173469388,0.963598901,0.99744898,0.935515873,0.903571429,0.75297619,1.095238095,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,44.7670589,22.30019612,35.82675439,44.6420589,5.580257363,22.30019612,-0.166666667,0.158085531,0.019760691,-1.475695247,39.18655619,4.898319524,2.934666987,0,11.89,12.11011416,-0.160379096,0.061052222,5.128426353,7.339204103,7,23,22,22,6,1,1,0,0,1,17.491312,3.527490705,3.234110572,2.831210223,2.392754557,1.842618743,1.505597868,1.2138498,0.750244665,1.897571247,1.734535424,1.470969949,1.160038899,0.875561505,0.676142288,0.551222741,0.260450516,3.551173607,3.268388379,2.876716151,2.448828435,1.923404201,1.601924298,1.330322032,0.886687543,1.84104913,1.662807566,1.383217965,1.058030055,0.746913597,0.536249299,0.398519435,0.093346384,3.657561912,3.418589157,3.073950685,2.68992671,2.261475488,1.995116805,1.791984456,1.417565245,1.679235415,1.448403886,1.112541047,0.736584028,0.325018697,0.067363139,0.125331865,0.488991305,3.568742156,3.29362483,2.910129036,2.489924856,1.982138152,1.671367871,1.413421059,0.983429672,1.805433811,1.616809906,1.326202038,0.99118314,0.661328654,0.442472911,0.295320977,0.02019177,3.71068298,3.491190721,3.167537655,2.802732236,2.414061303,2.167815127,1.988672893,1.639106613,1.63025996,1.380651064,1.02454834,0.629922767,0.178847098,0.099571477,0.317320309,0.706696498,3.606424235,3.308759618,2.985936889,2.580127997,2.050735357,1.75082089,1.495311531,1.142058977,1.789206489,1.565224221,1.2412358,0.868080487,0.562276236,0.328787169,0.180828733,0.186892212,0,0,0,2,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.983127663,3.564043477,2.021881336,1.12671313,0.606493072,0.319035594,0.166666667,0.083333333,0.747890958,0.509149068,0.336980223,0.225342626,0.151623268,0.106345198,0.083333333,0.083333333,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,6,2,0,2,0,0,0,0,0,0,0,0,2,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.499166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.590069444,0,0,1.509930556,0.580555556,0,0.590069444,0,0,0,0,0,0,0,0,4.391102608,0,5.109730726,0,4.499166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.231805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,0.216944444,0.290277778,0,0.290694444,0,0,0,0,0,0,0,0,2.169092971,0,1.184240363,0,2.231805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.299375,0,0,0.290277778,0.290277778,0,0.299375,0,0,0,0,0,0,0,0,2.222009637,0,1.34375,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,1.75,0.299375,2.267361111,0.216944444,1.184240363,5.619613203,0.315759637,0.267361111,1.780538549,0.315759637,0.267361111,1.780538549,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.25,0,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,6.79509,0.84939,7.95768,1.16259,0.14532,3.37132,0.42142,3.91421,0.54289,0.06786,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,0.75,0.918295834,1.947338796,3.105388542,3.772055209,3.772055209,3.340199877,22.03910002,46.73613111,74.52932501,90.52932501,90.52932501,80.16479704,0.200284263,0.424722949,0.677298569,0.822701431,0.822701431,0.728511929,3.666666667,2.637623705,1.479573959,0.812907292,0.812907292,1.244762624,0.200284263,0.424722949,0.677298569,0.822701431,0.822701431,0.728511929,6.73287657,15.09808847,19.01324374,20.60114167,19.68512709,17.98813392,31.59900002,21.28780565,17.50651667,14.40739375,15.48446146,18.47455824,8,7,7.2,8,2,8,2.34,1.1928,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.706,6,5,4,3,2,1,0,0,0,36,2.197224577,2.197224577,2.197224577,2.079441542,1.945910149,1.609437912,1.098612289,0,0,0,3.951243719,1.416666667,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,144.287877,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,112.1252005,4.671883355,14.83110795,1.853888494,0,0,0,84,5,4.376,26,1.214920635,2.112404231,2.884742239,3.676866976,5.01746575,6.005543499,7.303293997,8.327159146,9.506096947,0,74.61675492,68.02049978,68.72107813,92.71888695,105.6661361,109.069422,95.32744937,42.17735682,9.658802889,0,279.367904,317.1796826,333.0085767,459.061398,554.84488,620.4900733,639.6473566,513.1418847,295.485088,0,8.839053936,15.01768323,20.15606564,25.84969642,35.06387521,41.89463221,50.65355464,57.15917949,63.86637012,0,2.1123171,2.667410529,2.936700792,4.015177443,5.005554481,5.74362561,6.25786612,5.735896834,4.226533378,0,174.0970102,327.4842554,474.4097392,592.0607325,823.7955398,991.0038557,1226.804067,1443.182411,1757.845127,0,2.651245969,3.760650156,4.55213924,6.09739328,7.842777454,9.08155148,10.64002601,11.36713365,9.506096947,0,0.437772206,0.563916119,0.627518268,0.855666723,1.072988399,1.236163992,1.35911612,1.271001588,0.973424327,0,405.0547038,194.8696617,11.29004593,117.114778,-56.34329624,-7.627567015,287.9399258,251.2129579,18.91761294,0.775715008,0.373192361,0.02162142,0.224284992,-0.107902316,-0.014607455,211.5072048,101.7549903,5.895317431,61.15376296,-29.4207498,-3.982882716,0.118262635,0.183312312,1.815650931,1.406641698,522.1694818,0,1,0,456.9799498,21.37708937,7.702511969,617.1657659,24.84282121,8.514005818,686.1998016,26.19541566,8.820303505,2.452589461,2.452589461,999.49038,974.2078176,44.25346463,1.025951919,22.58558484,22.01427223,4.432661147,5.92381409,10.5315901,0.777839402,6.515019369,5.890996823,3.038008702,24.21280959,10.96630274,1.555960889,5.228691562,6.388797856,14.8355679,0.064089306,2.53326658,9.058192074,1.879420409,10.61980721,0.001401986,3.641122373,2.883466,0.631595156,5.33E-04,0.905024362,2.96E-10,1.87E-41,2.27E-94,5.33E-169,2.41E-265,0,0,0,0,0,0.546768472,5.884859058,0.250631238,6.126069122,0.083842121,0.129046875,0.885776599,0.069729627,4.251601356,4.54E-04,0.109222904,0.659523855,0.052348348,2.294763434,9.89E-06,0.104894625,0.083263866,0.047402719,3.80E-06,0.006374161,2.08E-12,1.31E-43,1.60E-96,3.75E-171,1.70E-267,0,0,0,0,0,1.765015719,5.885269348,0.811919884,7.430740012,0.821835523,0.414382586,1.772016083,0.532444966,5.565343744,0.004710046,0.412503282,2.106885646,0.238423667,3.44881338,1.03E-04,0.464258147,0.371950238,0.156713524,3.92E-05,0.066423668,2.17E-11,1.37E-42,1.67E-95,3.91E-170,1.77E-266,0,0,0,0,0,6.149647326,5.890323004,2.86465246,22.2610335,9.775326628,1.466509155,4.962735791,5.709333869,13.88810096,0.057104094,2.317115421,8.449581017,1.70146029,9.917255899,0.001249157,3.296412135,2.6119609,0.592316525,4.75E-04,0.806360413,2.64E-10,1.66E-41,2.02E-94,4.75E-169,2.15E-265,0,0,0,0,0,2.601304262,5.885801172,1.199505667,9.035170247,1.768881827,0.61201671,2.380463574,1.095679886,6.718580803,0.01022486,0.677561595,3.179727647,0.421643827,4.402934134,2.24E-04,0.818570614,0.65412164,0.234701969,8.51E-05,0.144281082,4.72E-11,2.98E-42,3.62E-95,8.50E-170,3.84E-266,0,0,0,0,0,7.86782759,5.893830107,3.682951503,32.39824565,15.97177644,1.889541475,6.213503297,9.236789708,18.68369862,0.09346029,3.410505407,11.41884645,2.613387382,13.44005982,0.002044606,5.063018981,4.002359064,0.781017028,7.77E-04,1.319892976,4.32E-10,2.72E-41,3.31E-94,7.77E-169,3.52E-265,0,0,0,0,0,3.74219875,5.333738422,1.788230456,12.05215319,3.606967565,0.868030803,3.43414948,2.179976247,8.520121516,0.02093604,1.105868613,4.565772169,0.730520928,5.771527704,4.58E-04,1.352657749,1.206089895,0.388674146,1.74E-04,0.295518159,9.66E-11,6.10E-42,7.42E-95,1.74E-169,7.87E-266,0,0,0,0,0,10.32156383,0.809907847,0.392158473,0.895686836,0.070282353,0.584933054,0.63024929,0.499988211,11.52363015,12.72481647,27.52670147,0.843530254,1.715170554,8.610366457,0.309995012,0.084543184,0.956186299,0.03442513,0.407459648,0.093146539,0.023237733,9.004904652,3.423326409,12.65389125,0.934279449,0.52384392,9.28977863,0.508764041,0.206717992,0.928489416,0.050849654,0.474077419,0.250169643,0.138929065,10.00526066,6.751840385,17.73411339,0.892734124,0.863176127,10.27917887,0.797551949,0.384542785,0.896861834,0.069586677,0.580149013,0.611328927,0.480757307,11.4612736,12.45765606,27.0714803,0.845292752,1.672235246,9.592719306,0.597264873,0.261176333,0.917861638,0.057148187,0.505413841,0.344230371,0.221770715,10.45116051,8.390776974,20.33831967,0.876792457,1.071414927,10.45426565,0.84858504,0.416001159,0.892089582,0.072411961,0.600038825,0.691297222,0.562633566,11.71885185,13.57333242,28.98266925,0.838134373,1.853969613,10.29638983,0.797500934,0.384896279,0.896992844,0.069476063,0.582070674,0.610879879,0.481641593,11.47878704,12.48137778,27.12069463,0.845489265,1.674592146 +UMLRON0237,L,3-Octene,CCCCC=CCC,32935, (trans) reported,"Sandia, UML",[1],C8H16,PubChem,,72.5,0,0.7896,0.62346816,37.3004,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,2227.640869,2209.532819,1095.976731,242.57016,18.289152,0,0,4371.159516,5876.91121,9122.433659,10923.94039,8520.88664,3586.073911,559.5073998,0,0,188.796996,195.98202,384.660436,553.041164,687.95166,509.87232,120.932352,0,0,33.10313229,45.14389758,73.21490844,93.91353488,85.16504053,43.37993894,8.003032287,0,0,4469.666941,3897.355064,8339.687441,12194.46539,16510.92734,13391.89734,3328.517736,0,0,42.34027778,51.29166667,85.5,127.7083333,141.6666667,85.5,18,0,0,48.76541633,56.15943233,41.25260869,28.32734383,11.07047203,3.2342688,1.016064,0,0,161.8947969,217.6633782,168.9339566,140.0505179,86.06956202,47.81431882,31.08374443,0,0,6.992481333,7.258593333,7.123341407,7.090271333,6.949006667,6.7982976,6.718464,0,0,1.226041937,1.671996207,1.355831638,1.204019678,0.860252935,0.578399186,0.444612905,0,0,165.54322,144.3464838,154.4386563,156.3392998,166.7770439,178.5586312,184.917652,0,0,1.568158436,1.899691358,1.583333333,1.637286325,1.430976431,1.14,1,0,0,0.035363986,-0.005859675,0.007168135,-0.01698627,-0.029350485,0.016156117,0.011190186,0,0,726.396054,7.46E-13,121.066009,-524.6193723,-605.330045,403.5533633,242.132018,0,0,1350.764481,-5.26E-13,225.1274134,-975.5521249,-1125.637067,750.4247115,450.2548269,0,0,0.142296,2.03E-15,0.023716,-0.102769333,-0.11858,0.079053333,0.047432,0,0,6.038545709,1.64E-14,1.006424285,-4.361171901,-5.032121424,3.354747616,2.01284857,0,0,32.80147613,-2.00E-13,5.466912688,-23.68995498,-27.33456344,18.22304229,10.93382538,0,0,3.019032922,-1.505401235,1.225823045,-0.256115684,-2.779406722,1.035865341,0.769718793,0,0,0.001309777,-2.17E-04,1.33E-04,-2.18E-04,-2.96E-04,2.15E-04,6.22E-04,0,0,26.90355756,2.76E-14,2.24196313,-6.725889389,-6.114444899,5.380711511,13.45177878,0,0,50.0283141,-1.95E-14,4.169026175,-12.50707852,-11.37007139,10.00566282,25.01415705,0,0,0.005270222,7.54E-17,4.39E-04,-0.001317556,-0.001197778,0.001054044,0.002635111,0,0,0.223649841,6.07E-16,0.018637487,-0.05591246,-0.050829509,0.044729968,0.111824921,0,0,1.214869486,-7.40E-15,0.101239124,-0.303717372,-0.276106701,0.242973897,0.607434743,0,0,0.111816034,-0.055755601,0.022700427,-0.003283534,-0.028074815,0.013811538,0.042762155,0,0,-0.165696125,0.101347945,-0.166266966,-0.226351122,0.16446682,0.474643287,0,0,1.03E-15,0.083333333,-0.25,-0.227272727,0.2,0.5,0,0,-3.89E-16,0.083333333,-0.25,-0.227272727,0.2,0.5,0,0,1.43E-14,0.083333333,-0.25,-0.227272727,0.2,0.5,0,0,2.71E-15,0.083333333,-0.25,-0.227272727,0.2,0.5,0,0,-6.09E-15,0.083333333,-0.25,-0.227272727,0.2,0.5,0,0,-0.498636906,0.203015846,-0.029365506,-0.251080407,0.123520191,0.382433123,0,0,1.612652763,0.960408675,1.299633231,1.193671161,0.479828465,0.003574175,0,0,1.444444444,1.12345679,1.388888889,1.116161616,0.433333333,0,0,0,1.444444444,1.12345679,1.388888889,1.116161616,0.433333333,0,0,0,1.444444444,1.12345679,1.388888889,1.116161616,0.433333333,0,0,0,1.444444444,1.12345679,1.388888889,1.116161616,0.433333333,0,0,0,1.444444444,1.12345679,1.388888889,1.116161616,0.433333333,0,0,0,2.037825865,0.617992844,1.208383029,1.341702938,0.473661612,0,0,0,36.34301895,18.17150947,24.93295961,36.34301895,4.038113216,18.17150953,0,0.044351946,0.004927994,-2.804038819,86.45378718,9.605976353,4.013649017,36.34301895,18.17150947,24.93295961,36.34301895,4.038113216,18.17150953,0,0.044351946,0.004927994,-2.804038819,86.45378718,9.605976353,4.013649017,36.34301895,18.17150947,24.93295961,36.34301895,4.038113216,18.17150953,0,0.044351946,0.004927994,-2.804038819,86.45378718,9.605976353,4.013649017,36.34301895,18.17150947,24.93295961,36.34301895,4.038113216,18.17150953,0,0.044351946,0.004927994,-2.804038819,86.45378718,9.605976353,4.013649017,36.34301895,18.17150947,24.93295961,36.34301895,4.038113216,18.17150953,0,0.044351946,0.004927994,-2.804038819,86.45378718,9.605976353,4.013649017,36.34301895,18.17150947,24.93295961,36.34301895,4.038113216,18.17150953,0,0.044351946,0.004927994,-2.804038819,86.45378718,9.605976353,4.013649017,45.88190159,22.58796693,31.72075923,45.73572532,5.081747258,22.58796693,-0.263117284,0.045218209,0.005024245,-2.78662987,75.42193036,8.380214484,3.890788278,0,11.89,12.11013444,-0.156776338,0.065033754,6.469114312,9.701651016,9,27,27,27,9,0,0,0,0,0,19.677726,3.711447298,3.052869449,2.930023383,2.405760484,2.333552793,1.913534357,1.282853505,1.170581436,2.030296479,1.589381954,1.519580991,1.249629723,1.210816121,0.889971322,0.572023572,0.45753715,3.732019825,3.088666115,2.969855092,2.466038604,2.405454588,1.989484878,1.390398893,1.280230598,1.981699802,1.511435477,1.435211551,1.134540686,1.105820829,0.7670399,0.420940016,0.307815942,3.823976393,3.247764756,3.146315575,2.722299135,2.704236987,2.307290357,1.82814595,1.719826164,1.842640692,1.279701212,1.181573671,0.771381883,0.76031856,0.367161771,0.091955245,0.20068233,3.747253453,3.115154934,2.999308742,2.510048871,2.457539916,2.044670713,1.467937518,1.358793646,1.951103425,1.461509901,1.380916278,1.058262671,1.036749763,0.685534456,0.319169293,0.207001839,3.869694708,3.325690728,3.23222739,2.840713008,2.838982085,2.451190692,2.018767508,1.909275685,1.800437538,1.207277047,1.101527445,0.658944568,0.631337262,0.229531921,0.276880113,0.384918196,3.725044341,3.17310745,3.074546379,2.685036975,2.607620428,2.136712932,1.577486597,1.460057069,1.961826316,1.383591,1.291759842,0.899634438,0.833608404,0.55809956,0.170370215,0.069670566,0,0,0,0,0,3,4,1,1,0,0,0,0.072168784,0.216506351,0,0,0,0.072168784,0.216506351,1.254600961,0.204124145,0.49279928,0.144337567,1.254600961,0.204124145,0.49279928,0.144337567,2.425321265,2.309822465,2.25804577,2.425321265,2.309822465,2.25804577,6.905777394,4.127827085,4.135410682,3.042311382,1.668276095,1.133536487,0.433012702,0.144337567,0.767308599,0.458647454,0.318108514,0.217307956,0.139023008,0.094461374,0.072168784,0.072168784,6.905777394,4.127827085,4.135410682,3.042311382,1.668276095,1.133536487,0.433012702,0.144337567,0.767308599,0.458647454,0.318108514,0.217307956,0.139023008,0.094461374,0.072168784,0.072168784,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.2227,41.413,35.79806166,49.90847146,71.59612331,7.955124813,35.79806166,0.093105532,0.010345059,-2.136619513,75.49348075,8.388164528,3.891641674,61,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,4,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,7.187314815,0,5.808634259,0,0,0,0.950231481,0,0,0,0,0,0.637152778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.388055556,0,1.438657407,0,0,0,0.950231481,0,0,0,0,0,0.637152778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.39962963,0,1.462893519,0,0,0,0.950231481,0,0,0,0,0,0.637152778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.58333333,1.62037037,0.2,2.39962963,0,0.637152778,6.464632523,0.612847222,0.39962963,2.37462963,0.612847222,0.39962963,2.37462963,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.33333,0.11111,0.11111,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,10.80944,1.20105,10.80944,0,0,4.12782,0.45865,4.12782,0,0,0.28618,0.0318,0.37218,0.04135,0.222222222,9,0,0,0,0,0,0,1,0.918295834,1.50253426,2.661208798,3.411751854,3.203987392,2.857877097,24.79398752,40.56842503,71.85263755,92.11730005,86.50765958,77.16268161,0.193126721,0.315997857,0.559678604,0.717525252,0.673830325,0.601039897,3.836591668,3.252353242,2.093678704,1.343135648,1.55090011,1.897010406,0.193126721,0.315997857,0.559678604,0.717525252,0.673830325,0.601039897,6.73287657,13.74373769,18.4757476,19.23216368,17.08697511,15.57593633,35.54887502,25.26783891,21.04929168,18.82963103,22.11940826,25.44414755,7.111111111,2.319526627,1.469387755,0,0,0,2.45,1.2681,1.144714243,4.119534288,1.889881575,2.381101578,3.965406457,2.149139864,2.149139864,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.14,0.131,0.159,0.212,3.981,13,14,12,12,6,2,0,0,0,77,2.302585093,2.63905733,2.708050201,2.564949357,2.564949357,1.945910149,1.098612289,0,0,0,4.356708827,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,1,3,4,0.333333333,3,1.777777778,0.5625,0.333333333,0,0,0,0,0,0,0.333333333,0.136752137,0.051136364,0.111111111,0,0,0,0,0,0,0.632332945,18.17150947,24.93295961,36.34301895,4.038113216,18.17150953,0.044351946,0.004927994,-2.804038819,86.45378718,9.605976353,4.013649017,0,151.8638616,4.169925001,3.80666249,4.59511985,5.451038454,6.267200549,7.120444372,7.944137491,8.795884972,9.621853819,10.4729688,82.0753108,2.944438979,0,4.262679877,0,5.802118375,0,7.430707083,0,9.091444217,9.304923014,126.1408506,4.671883355,17.31156099,1.923506776,0,0,0,80,11,5.036,44,1.22699952,2.101080591,2.848562794,3.456054056,4.127444598,4.857500713,0,0,0,0,78.95148878,96.06200796,86.96855662,41.26867569,13.87628041,4.935531605,0,0,0,0,290.5400635,380.7086839,416.9893379,311.3717338,201.3259076,150.9893107,0,0,0,0,8.938429587,15.02089114,20.2384698,24.06911281,28.07856408,32.63494367,0,0,0,0,2.17886504,3.002778931,3.540238999,3.07418631,2.419096386,2.159707502,0,0,0,0,175.1121323,320.6542068,442.3589057,572.2651082,735.4800413,898.2376266,0,0,0,0,2.372999216,3.427579432,4.742450899,5.04325304,4.742716647,4.857500713,0,0,0,0,0.45089223,0.628028401,0.749573072,0.667582785,0.542775978,0.497408073,0,0,0,0,325.6144285,148.1607936,8.239328775,84.69121838,-38.53612441,-4.522001754,240.9232101,186.696918,12.76133053,0.793589927,0.361098597,0.020080954,0.206410073,-0.093920531,-0.011021057,133.6014387,60.79121026,3.380643122,34.74928514,-15.81158945,-1.855402855,0.066654205,0.136100182,0.731365655,0.975878122,410.3056469,0,1,0,620.8036052,24.91593075,8.530701456,795.1702547,28.19876335,9.264458536,1150.966986,33.92590435,10.47983123,1.175125278,1.079332776,386.9045022,275.5409418,237.6452243,1.404163387,1.628076068,1.159463409,3.825121105,3.779648656,5.906189605,0.562629266,5.087954442,7.385866866,8.625491389,11.90839281,21.69587874,15.57186315,12.41344492,9.320217525,11.66888358,0.095846533,0.820153404,9.06E-16,1.94E-52,8.02E-111,6.43E-191,9.97E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422404152,6.525784364,0.649057325,6.148106067,1.082029961,4.320590815,1.705473628,0.325344442,0.237733923,6.75E-04,0.005776407,6.38E-18,1.36E-54,5.65E-113,4.53E-193,7.02E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.365591183,6.583478644,2.09578435,6.72045797,3.957179811,6.298010658,2.868186813,1.35127431,1.256065554,0.007034593,0.06019462,6.65E-17,1.42E-53,5.89E-112,4.72E-192,7.32E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.799095388,7.291515828,8.072994748,11.34227318,19.96249239,14.77014427,11.39600282,8.482965815,10.50386991,0.085397535,0.730741917,8.07E-16,1.73E-52,7.15E-111,5.73E-191,8.88E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.015776707,6.65808108,3.142788377,7.292535048,6.326549493,7.750225874,3.970106416,2.296083061,2.345571901,0.015280077,0.130750757,1.44E-16,3.09E-53,1.28E-111,1.02E-191,1.59E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.161145337,7.782550559,10.74401508,14.24686836,28.64909168,18.6684841,16.59149417,12.74558748,16.51061228,0.13978316,1.19611666,1.32E-15,2.83E-52,1.17E-110,9.37E-191,1.45E-292,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.354360631,6.038125473,4.871391673,8.960467045,10.56009013,11.11613491,6.771506193,4.548684465,5.158207165,0.03650462,0.312367977,3.45E-16,7.38E-53,3.06E-111,2.45E-191,3.80E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.302854525,2.036148419,1.035614483,0.428468548,0.378845275,0.501644938,0.519172507,0.439700912,5.374617427,9.182487889,19.41305357,0.210970735,1.460518356,1.692089533,1.383939636,0.500954828,0.473049232,0.386901266,0.271516338,0.243563402,0.103890407,3.576983997,3.882701435,8.632796285,0.289925747,0.618970147,1.934620996,1.642716543,0.713608107,0.450861222,0.382833221,0.354601899,0.340958624,0.210003032,4.290945646,5.730850984,12.28966739,0.250541664,0.905563555,2.287729084,2.01997757,1.022406434,0.429208358,0.378974618,0.495111504,0.511140689,0.428658777,5.330113088,9.025388433,19.0802067,0.212274463,1.43491097,2.042745835,1.758181016,0.808260889,0.443189983,0.381451378,0.395173187,0.389519316,0.268941825,4.609187739,6.663657461,14.17572788,0.236962042,1.053634328,2.350209853,2.086781667,1.07695711,0.426229914,0.378455043,0.522372288,0.544708775,0.475154727,5.513948629,9.682824397,20.47857437,0.207027437,1.54223579,2.291877418,2.025785029,1.026688704,0.428841099,0.379051633,0.496831512,0.513686219,0.432026051,5.344351151,9.075746222,19.18686001,0.211839097,1.442543782 +UMLRON0238,L,"1,1,2-trimethylcyclohexane",CC1CCCCC1(C)C,35363,,UML,[1],C9H18,PubChem,,95.7,0,0.5874,0.34503876,40.2021,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,2106.57486,1900.854657,1316.937894,423.91944,45.72288,0,0,4371.159516,5876.91121,8897.306245,9971.768335,7912.680717,4532.318207,1398.768499,0,0,188.796996,195.98202,384.63672,550.598724,622.766616,396.124992,302.33088,0,0,33.10313229,45.14389758,72.20848416,87.88709788,76.15562038,47.41767195,20.00758072,0,0,4469.666941,3897.355064,8334.220529,12374.30219,15244.61046,9491.067723,8321.294341,0,0,42.08333333,51,85.08333333,120,120.5,85.5,45,0,0,48.76541633,56.15943233,39.01064556,24.3699315,14.63264327,7.437183158,1.016064,0,0,161.8947969,217.6633782,164.7649305,127.8431838,87.91867463,79.5143545,31.08374443,0,0,6.992481333,7.258593333,7.122902222,7.058958,6.919629067,6.949561263,6.718464,0,0,1.226041937,1.671996207,1.337194151,1.126757665,0.84617356,0.831888982,0.444612905,0,0,165.54322,144.3464838,154.3374172,158.6448998,169.3845607,166.5099601,184.917652,0,0,1.558641975,1.888888889,1.575617284,1.538461538,1.338888889,1.5,1,0,0,0.035786354,-0.00417112,2.84E-04,-0.0249755,0.014078598,-0.028802002,0.025692553,0,0,726.396054,6.32E-13,6.08E-13,-524.6193723,121.066009,-564.9747087,605.330045,0,0,1350.764481,-7.53E-13,-7.89E-13,-975.5521249,225.1274134,-1050.594596,1125.637067,0,0,0.142296,2.05E-15,2.03E-15,-0.102769333,0.023716,-0.110674667,0.11858,0,0,6.038545709,1.73E-14,1.67E-14,-4.361171901,1.006424285,-4.696646663,5.032121424,0,0,32.80147613,-1.98E-13,-1.97E-13,-23.68995498,5.466912688,-25.51225921,27.33456344,0,0,2.962962963,-1.361111111,0.824074074,-2.309670782,2.938271605,-3.440329218,1.867283951,0,0,0.001325421,-1.54E-04,5.26E-06,-3.20E-04,1.56E-04,-5.05E-04,5.71E-04,0,0,26.90355756,2.34E-14,1.13E-14,-6.725889389,1.345177878,-9.911836994,13.45177878,0,0,50.0283141,-2.79E-14,-1.46E-14,-12.50707852,2.501415705,-18.43148414,25.01415705,0,0,0.005270222,7.59E-17,3.76E-17,-0.001317556,2.64E-04,-0.001941661,0.002635111,0,0,0.223649841,6.39E-16,3.08E-16,-0.05591246,0.011182492,-0.08239731,0.111824921,0,0,1.214869486,-7.34E-15,-3.65E-15,-0.303717372,0.060743474,-0.447583495,0.607434743,0,0,0.109739369,-0.050411523,0.015260631,-0.029611164,0.032647462,-0.060356653,0.041495199,0,0,-0.116556164,0.003972103,-0.241582736,0.11802206,-0.381236192,0.430765641,0,0,8.71E-16,4.18E-16,-0.25,0.05,-0.368421053,0.5,0,0,-5.58E-16,-2.92E-16,-0.25,0.05,-0.368421053,0.5,0,0,1.44E-14,7.14E-15,-0.25,0.05,-0.368421053,0.5,0,0,2.86E-15,1.38E-15,-0.25,0.05,-0.368421053,0.5,0,0,-6.04E-15,-3.01E-15,-0.25,0.05,-0.368421053,0.5,0,0,-0.459375,0.1390625,-0.269831731,0.2975,-0.55,0.378125,0,0,1.56187452,1.079424157,1.334358095,0.717960682,1.434277694,0.002005827,0,0,1.444444444,1.203703704,1.333333333,0.794444444,1.254385965,0,0,0,1.444444444,1.203703704,1.333333333,0.794444444,1.254385965,0,0,0,1.444444444,1.203703704,1.333333333,0.794444444,1.254385965,0,0,0,1.444444444,1.203703704,1.333333333,0.794444444,1.254385965,0,0,0,1.444444444,1.203703704,1.333333333,0.794444444,1.254385965,0,0,0,2.004166667,0.677083333,1.2890625,0.495625,2.020559211,0,0,0,38.26044376,19.13022188,25.95864901,38.26044376,4.251160418,19.1302219,-3.55E-15,4.44E-16,4.93E-17,-31.81545559,34.85310704,3.872567448,3.196028059,38.26044376,19.13022188,25.95864901,38.26044376,4.251160418,19.1302219,-3.55E-15,4.44E-16,4.93E-17,-31.81545559,34.85310704,3.872567448,3.196028059,38.26044376,19.13022188,25.95864901,38.26044376,4.251160418,19.1302219,-3.55E-15,4.44E-16,4.93E-17,-31.81545559,34.85310704,3.872567448,3.196028059,38.26044376,19.13022188,25.95864901,38.26044376,4.251160418,19.1302219,-3.55E-15,4.44E-16,4.93E-17,-31.81545559,34.85310704,3.872567448,3.196028059,38.26044376,19.13022188,25.95864901,38.26044376,4.251160418,19.1302219,-3.55E-15,4.44E-16,4.93E-17,-31.81545559,34.85310704,3.872567448,3.196028059,38.26044376,19.13022188,25.95864901,38.26044376,4.251160418,19.1302219,-3.55E-15,4.44E-16,4.93E-17,-31.81545559,34.85310704,3.872567448,3.196028059,46.00039268,22.86825189,31.41254006,45.79514576,5.088349529,22.86825189,-0.263888889,4.16E-17,4.63E-18,-33.94586684,52.79007274,5.865563638,3.569690841,0,11.89,12.11013444,-0.163076251,0.057906057,6.149190559,8.445759162,9,27,27,27,9,0,0,0,0,0,19.677726,3.689470375,3.042364541,3.042364541,2.273238046,2.17548746,2.17548746,1.099508061,1.099508061,2.024811158,1.585950347,1.585950347,1.181314749,1.066605404,1.066605404,0.413035098,0.413035098,3.7117062,3.078435564,3.078435564,2.343939145,2.243749091,2.243749091,1.209688389,1.209688389,1.974747389,1.506815679,1.506815679,1.06671247,0.952794097,0.952794097,0.259521562,0.259521562,3.809929062,3.239284907,3.239284907,2.639128085,2.531187307,2.531187307,1.656579633,1.656579633,1.829652525,1.271648566,1.271648566,0.694731226,0.585704835,0.585704835,0.262056834,0.262056834,3.728106741,3.105160529,3.105160529,2.395246884,2.293440723,2.293440723,1.289020676,1.289020676,1.943074022,1.45612622,1.45612622,0.990793101,0.877571657,0.877571657,0.156092313,0.156092313,3.858127184,3.318282267,3.318282267,2.772801353,2.662420938,2.662420938,1.850629028,1.850629028,1.784957217,1.19828528,1.19828528,0.566929942,0.460560939,0.460560939,0.450448455,0.450448455,3.704786462,3.185821029,3.185821029,2.578933481,2.399668944,2.399668944,1.390915633,1.390915633,1.952763292,1.364912791,1.364912791,0.794465669,0.736786313,0.736786313,0.012637536,0.012637536,0,0,0,0,0,3,3,3,0,0,0,0,0.068041382,0.204124145,0,0,0,0.068041382,0.204124145,0.866025404,0,0,0,0.866025404,0,0,0,1,1.995781916,1.747400241,1,1.995781916,1.747400241,6.853371151,4.18154055,4.022621928,2.414213562,2.349335306,0.98559856,0.696923425,0,0.761485683,0.464615617,0.335218494,0.201184464,0.156622354,0.082133213,0.077435936,0,6.853371151,4.18154055,4.022621928,2.414213562,2.349335306,0.98559856,0.696923425,0,0.761485683,0.464615617,0.335218494,0.201184464,0.156622354,0.082133213,0.077435936,0,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.0786,41.343,36.23240609,46.59629277,72.46481219,8.051645799,36.23240609,0,0,0,50.96615924,5.662906583,3.538045681,63,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,7.143333333,0,4.387916667,0,0,0,2.96875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.381111111,0,1.462638889,0,0,0,0.989583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.381111111,0,1.462638889,0,0,0,0.989583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.5,1.611111111,0.2,2.381111111,0.2,0.989583333,6.462614583,0.34375,0.381111111,2.286666667,0.34375,0.381111111,2.286666667,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.33333,0.33333,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,10.39611,1.15512,10.39611,0,0,4.18152,0.46461,4.18152,0,0,0.23248,0.02583,0.31848,0.03539,0.222222222,9,0,0,0,0,0,0,1,0.918295834,1.446616668,2.419381946,2.419381946,2.197159723,1.657742727,24.79398752,39.05865003,65.32331253,65.32331253,59.32331253,44.75905362,0.193126721,0.304237833,0.508820018,0.508820018,0.462084481,0.348639737,3.836591668,3.308270835,2.335505557,2.335505557,2.557727779,3.097144776,0.193126721,0.304237833,0.508820018,0.508820018,0.462084481,0.348639737,6.73287657,13.07272657,14.05310377,14.05310377,11.3864371,10.84279915,35.54887502,26.03910002,27.72431251,27.72431251,32.40401252,31.82253257,7.111111111,2.722222222,2,0,0,0,2.45,1.2681,0.75,3.571652367,4.326748711,0,1.5,6.240251469,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.124,0.16,0.203,3.937,12,12,15,12,9,0,0,0,0,78,2.302585093,2.564949357,2.564949357,2.772588722,2.564949357,2.302585093,0,0,0,0,4.369447852,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,4,0.333333333,3,0.666666667,0.9375,0.333333333,0,0,0,0,0,0,0.333333333,0.055555556,0.104166667,0.055555556,0,0,0,0,0,0,0.548611111,19.13022188,25.95864901,38.26044376,4.251160418,19.1302219,4.44E-16,4.93E-17,-31.81545559,34.85310704,3.872567448,3.196028059,0,151.8638616,4.169925001,3.761200116,4.510859507,5.351858133,6.11146734,6.957497371,7.719129841,8.566173814,9.328212293,10.17545936,80.48185778,2.944438979,0,4.204692619,0,5.645446898,0,7.181591945,0,8.760766624,8.995660899,126.1408506,4.671883355,17.38171618,1.931301798,0,0,0,84,9,4.938,42,1.22699952,2.101632098,2.841588385,3.503542101,4.58830767,5.348672471,0,0,0,0,78.95148878,91.11853208,77.0715485,61.10802313,35.98987202,5.434593545,0,0,0,0,290.5400635,371.1494733,385.4775928,341.3238808,378.9088269,166.2567681,0,0,0,0,8.938429587,15.02121738,20.10839593,24.33959172,31.95387529,35.93486344,0,0,0,0,2.17886504,2.958422373,3.336845342,3.183635254,3.929493579,2.378088804,0,0,0,0,175.1121323,320.7290345,447.2347567,586.2066109,758.6501956,989.0639547,0,0,0,0,2.360702744,3.406986278,4.453028106,4.907141188,7.055726606,5.348672471,0,0,0,0,0.45089223,0.619801368,0.709050706,0.686731997,0.858509544,0.547704061,0,0,0,0,367.4029777,168.5193601,9.185806885,88.05622409,-40.38938015,-4.810885956,279.3467536,208.9087402,13.99669284,0.806664958,0.369998804,0.020168232,0.193335042,-0.088678371,-0.010562715,167.3370669,76.75369321,4.183760271,40.10601753,-18.39571484,-2.191162277,0.064635673,0.135832753,0.95658535,1.127743823,455.4592017,0,1,0,620.8036052,24.91593075,8.530701456,795.1702547,28.19876335,9.264458536,1095.429978,33.09728052,10.30848573,1.159838844,1.035728624,516.3722536,305.7649606,264.4442642,1.688788187,1.952669517,1.156254841,4.157250061,4.355922028,6.376268681,0.463816074,5.020831515,6.989125066,11.03149926,13.93961737,19.48407265,9.022004788,10.86371457,13.84026511,10.10070354,6.616510751,3.93343851,0.396370774,1.33E-17,1.44E-55,3.15E-115,1.33E-196,1.08E-299,0,0,0,0,0,0,0,0,0,0,0,0,0,0.4219314,6.522854967,0.714663267,5.964077264,1.013397184,1.824328855,1.980796572,1.501481797,1.110064211,0.259321937,0.02773075,0.002791672,9.35E-20,1.02E-57,2.22E-117,9.35E-199,7.60E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,1.36066474,6.554012914,2.404483684,7.082441976,3.661532199,2.94420045,2.863502822,3.135899692,2.204175095,1.032136643,0.288762067,0.029091372,9.75E-19,1.06E-56,2.31E-116,9.74E-198,7.92E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,4.739290068,6.937932996,10.25271967,13.2710763,17.95634097,8.457787723,9.990733331,12.77209621,9.288136926,6.041663193,3.50464164,0.353159224,1.18E-17,1.29E-55,2.81E-115,1.18E-196,9.62E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,2.005075814,6.594410054,3.688030961,8.001478956,5.812575602,3.816679761,3.74573375,4.5204109,3.175287022,1.718480542,0.627162812,0.063190348,2.12E-18,2.30E-56,5.02E-116,2.12E-197,1.72E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,6.063252857,7.204380626,14.08209306,16.61962322,25.59130526,11.251363,14.46972509,18.15037175,13.4069419,8.955721196,5.736461611,0.578069522,1.94E-17,2.11E-55,4.59E-115,1.94E-196,1.57E-299,0,0,0,0,0,0,0,0,0,0,0,0,0,3.331366715,5.935104618,5.954121677,10.21567009,9.871323279,5.540888424,6.086505801,7.931357035,6.156989728,3.615022364,1.515515808,0.152704079,5.12E-18,5.57E-56,1.21E-115,5.11E-197,4.16E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,3.02249741,2.619994856,0.664087011,0.479260987,0.415438345,0.477338762,0.467361363,0.441308362,6.306579278,11.66603349,23.23146978,0.342048998,1.386008487,2.210458359,1.883105246,0.213613682,0.513203477,0.437201703,0.254265581,0.241640223,0.046164196,4.307177287,5.036966925,10.23331666,0.42560777,0.54207,2.532840244,2.175641465,0.392793151,0.496511228,0.426489755,0.334416275,0.322378847,0.155481717,5.101274859,7.360011624,14.62579367,0.384501474,0.812276838,3.002381367,2.601739286,0.652959065,0.47983748,0.415807278,0.470963328,0.460873354,0.426772167,6.257079718,11.47067493,22.82828794,0.343467138,1.358608849,2.676599971,2.306096693,0.472540168,0.490647804,0.422730812,0.373725761,0.362146514,0.224581202,5.455236832,8.52702266,16.8990129,0.370067923,0.960453476,3.085478717,2.677151586,0.698918881,0.477513771,0.414320391,0.49757905,0.487969684,0.488349145,6.461549184,12.28790536,24.52273015,0.337751243,1.473897879,3.016374168,2.613257378,0.65434937,0.480010078,0.415860171,0.47531926,0.464914982,0.428278299,6.283980916,11.56630791,23.00823833,0.343805373,1.368512541 +UMLRON0239,L,"1,3,5-trimethylcyclohexane",CC1CC(CC(C1)C)C,35364, (cis) reported; [9] has RON of 63.8,UML,[1],C9H18,PubChem,,59.1,0,-0.1601,0.02563201,36.9387,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,2106.57486,2021.920666,1152.443044,424.085929,82.888848,6.096384,0,4371.159516,5876.91121,8897.306245,10196.89575,8047.995993,4126.61609,1257.525459,186.5024666,0,188.796996,195.98202,384.63672,550.62244,625.51336,471.98026,183.394368,40.310784,0,33.10313229,45.14389758,72.20848416,88.89352217,78.82529164,45.73227423,15.34920546,2.667677429,0,4469.666941,3897.355064,8334.220529,12379.7691,15011.11091,12097.08771,4833.801083,1109.505912,0,41.0625,50.125,84.5,119.125,125.75,83.5,30.5,6,0,48.76541633,56.15943233,39.01064556,25.92205982,12.80492271,6.146172884,3.069957333,1.016064,0,161.8947969,217.6633782,164.7649305,130.7294327,89.4221777,59.80603029,46.57501701,31.08374443,0,6.992481333,7.258593333,7.122902222,7.059262051,6.950148444,6.840293623,6.792384,6.718464,0,1.226041937,1.671996207,1.337194151,1.139660541,0.875836574,0.662786583,0.568489091,0.444612905,0,165.54322,144.3464838,154.3374172,158.7149885,166.7901212,175.3201118,179.0296697,184.917652,0,1.520833333,1.856481481,1.564814815,1.52724359,1.397222222,1.210144928,1.12962963,1,0,0.036042098,-0.004441259,1.89E-04,-0.014269875,-0.018109142,0.008136302,0.00681404,0.003660081,0,726.396054,6.32E-13,6.36E-13,-403.5533633,-403.5533633,201.7766817,161.4213453,80.71067267,0,1350.764481,-7.53E-13,-7.32E-13,-750.4247115,-750.4247115,375.2123557,300.1698846,150.0849423,0,0.142296,2.05E-15,2.05E-15,-0.079053333,-0.079053333,0.039526667,0.031621333,0.015810667,0,6.038545709,1.73E-14,1.69E-14,-3.354747616,-3.354747616,1.677373808,1.341899046,0.670949523,0,32.80147613,-1.98E-13,-1.99E-13,-18.22304229,-18.22304229,9.111521147,7.289216918,3.644608459,0,2.541666667,-0.9375,0.291666667,-0.12037037,-1.458333333,0.386574074,0.340277778,0.226851852,0,0.001334893,-1.64E-04,3.50E-06,-1.83E-04,-2.01E-04,1.18E-04,2.52E-04,6.10E-04,0,26.90355756,2.34E-14,1.18E-14,-5.173761068,-4.483926259,2.924299734,5.978568346,13.45177878,0,50.0283141,-2.79E-14,-1.36E-14,-9.620829634,-8.33805235,5.437860228,11.11740313,25.01415705,0,0.005270222,7.59E-17,3.79E-17,-0.001013504,-8.78E-04,5.73E-04,0.00117116,0.002635111,0,0.223649841,6.39E-16,3.13E-16,-0.043009585,-0.037274974,0.024309765,0.049699965,0.111824921,0,1.214869486,-7.34E-15,-3.68E-15,-0.233628747,-0.202478248,0.132051031,0.269970997,0.607434743,0,0.094135802,-0.034722222,0.005401235,-0.00154321,-0.016203704,0.005602523,0.012602881,0.037808642,0,-0.123224197,0.002619207,-0.137050069,-0.150733248,0.088334771,0.189057797,0.456975695,0,8.71E-16,4.38E-16,-0.192307692,-0.166666667,0.108695652,0.222222222,0.5,0,-5.58E-16,-2.71E-16,-0.192307692,-0.166666667,0.108695652,0.222222222,0.5,0,1.44E-14,7.19E-15,-0.192307692,-0.166666667,0.108695652,0.222222222,0.5,0,2.86E-15,1.40E-15,-0.192307692,-0.166666667,0.108695652,0.222222222,0.5,0,-6.04E-15,-3.03E-15,-0.192307692,-0.166666667,0.108695652,0.222222222,0.5,0,-0.368852459,0.057377049,-0.016393443,-0.172131148,0.059515324,0.133879781,0.401639344,0,1.570384628,1.091415637,1.189305025,1.104662607,0.65374938,0.457111106,0.004506164,0,1.444444444,1.203703704,1.277777778,1.059259259,0.596618357,0.401234568,0,0,1.444444444,1.203703704,1.277777778,1.059259259,0.596618357,0.401234568,0,0,1.444444444,1.203703704,1.277777778,1.059259259,0.596618357,0.401234568,0,0,1.444444444,1.203703704,1.277777778,1.059259259,0.596618357,0.401234568,0,0,1.444444444,1.203703704,1.277777778,1.059259259,0.596618357,0.401234568,0,0,1.89435337,0.828779599,1.032786885,1.243169399,0.704205274,0.520947177,0,0,38.39238885,19.19619443,27.63916344,38.39238885,4.265820983,19.19619444,-1.42E-14,0.017515666,0.001946185,-3.64019363,54.73366754,6.081518615,3.602231113,38.39238885,19.19619443,27.63916344,38.39238885,4.265820983,19.19619444,-1.42E-14,0.017515666,0.001946185,-3.64019363,54.73366754,6.081518615,3.602231113,38.39238885,19.19619443,27.63916344,38.39238885,4.265820983,19.19619444,-1.42E-14,0.017515666,0.001946185,-3.64019363,54.73366754,6.081518615,3.602231113,38.39238885,19.19619443,27.63916344,38.39238885,4.265820983,19.19619444,-1.42E-14,0.017515666,0.001946185,-3.64019363,54.73366754,6.081518615,3.602231113,38.39238885,19.19619443,27.63916344,38.39238885,4.265820983,19.19619444,-1.42E-14,0.017515666,0.001946185,-3.64019363,54.73366754,6.081518615,3.602231113,38.39238885,19.19619443,27.63916344,38.39238885,4.265820983,19.19619444,-1.42E-14,0.017515666,0.001946185,-3.64019363,54.73366754,6.081518615,3.602231113,45.65131009,22.55743551,32.87896614,45.550532,5.061170222,22.55743551,-0.183333333,0.009665768,0.001073974,-4.175248261,49.19916219,5.466573576,3.506288935,0,11.9,12.1001487,-0.150126399,0.050082478,5.798057755,9.697503659,9,27,27,27,9,0,0,0,0,0,19.677726,3.692434643,3.138614252,2.750129472,2.705633994,2.193871786,1.682450447,1.456797487,1.199998143,2.022838382,1.662642051,1.418548695,1.372874417,1.078459027,0.80429149,0.666206401,0.544614305,3.713967004,3.173888263,2.792995694,2.757008849,2.262013353,1.773508686,1.556142907,1.316179017,1.972929745,1.586896491,1.322081451,1.285229005,0.965813479,0.668573939,0.522081792,0.390461416,3.809853706,3.329946282,2.981537655,2.97866536,2.548006905,2.14753593,1.9628467,1.779189806,1.829242409,1.361157492,1.021807029,1.018928274,0.602115726,0.216693231,0.037619229,0.137613127,3.729892728,3.199947793,2.824624264,2.794682422,2.311556934,1.839284766,1.62787375,1.399264523,1.941428708,1.538344959,1.259173438,1.228596505,0.891346636,0.57780787,0.425347018,0.286330557,3.857302412,3.406049941,3.083149579,3.072480534,2.678203101,2.313069376,2.141548494,1.977184606,1.785365813,1.290329109,0.933903671,0.923321713,0.47785506,0.057100147,0.135164289,0.330696265,3.71880234,3.271123416,2.970308397,2.849225422,2.441521297,1.979992366,1.744477468,1.539004423,1.936530116,1.449285837,1.1655301,1.076523315,0.732138942,0.405129555,0.270278054,0.113977957,0,0,0,0,0,2,6,0,1,0,0,0,0.088388348,0.150888348,0,0,0,0.088388348,0.150888348,0.926776695,0.176776695,0,0,0.926776695,0.176776695,0,0,1.633883476,1.920495129,1.383883476,1.633883476,1.920495129,1.383883476,6.742640687,4.267766953,3.724873734,2.914213562,1.758883476,1.207106781,0.478553391,0.125,0.749182299,0.474196328,0.310406145,0.224170274,0.146573623,0.100592232,0.079758898,0.0625,6.742640687,4.267766953,3.724873734,2.914213562,1.758883476,1.207106781,0.478553391,0.125,0.749182299,0.474196328,0.310406145,0.224170274,0.146573623,0.100592232,0.079758898,0.0625,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.3668,41.483,35.18512298,49.38818759,70.37024596,7.818916217,35.18512298,0.201987748,0.022443083,-1.439593413,39.41501847,4.379446496,3.306732231,67,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,6,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.761388889,0,8.768125,0,0,0,0,0,0,0,0,0,0.720486111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.324722222,0,1.381944444,0,0,0,0,0,0,0,0,0,0.720486111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.436666667,0,1.481736111,0,0,0,0,0,0,0,0,0,0.720486111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.25,1.583333333,0.2,2.436666667,0,0.720486111,6.459675347,0.529513889,0.436666667,1.522777778,0.529513889,0.436666667,1.522777778,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.22222,0,0.11111,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,10.28939,1.14327,10.28939,0,0,4.26777,0.4742,4.26777,0,0,0.14623,0.01625,0.23223,0.0258,0.222222222,9,0,0,0,0,0,0,1,0.918295834,1.326427316,2.336953705,3.235644909,3.217488428,2.431589134,24.79398752,35.81353753,63.09775004,87.36241255,86.87218755,65.65290661,0.193126721,0.27896082,0.491484542,0.680488215,0.676669727,0.511387311,3.836591668,3.428460186,2.417933797,1.519242593,1.537399074,2.323298369,0.193126721,0.27896082,0.491484542,0.680488215,0.676669727,0.511387311,6.73287657,11.63045435,17.02739204,18.24044351,15.77943941,12.7442641,35.54887502,28.77326947,23.03692779,20.37828057,24.01804724,29.80606171,7.111111111,2.722222222,1.704142012,2,0,2,2.45,1.2681,0.333333333,4.326341831,0,1.414213562,7.732315986,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.111,0.198,0.227,4.209,12,13,12,12,6,2,0,0,0,75,2.302585093,2.564949357,2.63905733,2.564949357,2.564949357,1.945910149,1.098612289,0,0,0,4.33073334,1,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,3,0.333333333,1,3,5,0.666666667,2.5,1.111111111,0.375,0.262222222,0.0625,0,0,0,0,0,0.277777778,0.092592593,0.0375,0.065555556,0.0625,0,0,0,0,0,0.535925926,19.19619443,27.63916344,38.39238885,4.265820983,19.19619444,0.017515666,0.001946185,-3.64019363,54.73366754,6.081518615,3.602231113,0,151.8638616,4.169925001,3.761200116,4.532599493,5.370638028,6.163314804,7.005789019,7.802618063,8.645938147,9.443751036,10.28721817,81.01306688,2.944438979,0,4.204692619,0,5.707110265,0,7.296413269,0,8.917176636,9.140561477,126.1408506,4.671883355,17.4630958,1.940343977,0,0,0,84,10,5.097,42,1.22699952,2.101648878,2.841411118,3.493869191,4.133449199,4.519424486,5.359741897,0,0,0,78.95148878,91.1177179,79.47069947,47.4191251,26.01824046,14.55769992,5.445840791,0,0,0,290.5400635,371.1853466,389.7137097,324.2216261,248.8663658,215.6456852,166.6008473,0,0,0,8.938429587,15.02156236,20.10628908,24.32631527,28.27740563,30.72225721,36.00923299,0,0,0,2.17886504,2.958760547,3.35469886,3.144635175,2.749457388,2.610452859,2.383010414,0,0,0,175.1121323,320.7131935,447.4230666,579.3755205,724.4376994,807.1523442,991.1108871,0,0,0,2.324853475,3.378716978,4.427609976,4.964331633,5.006366192,5.159309907,5.359741897,0,0,0,0.45089223,0.619872453,0.712275746,0.681381064,0.609376743,0.58642751,0.54883757,0,0,0,342.2280867,157.6041009,8.717186527,83.77920749,-38.58229988,-4.51200151,258.4488792,196.1864008,13.22918804,0.803338561,0.369956344,0.020462529,0.196661439,-0.090567228,-0.010591371,145.7916612,67.14049658,3.713585046,35.69055349,-16.43634118,-1.922145555,0.058740709,0.140671845,0.606850061,1.114832836,426.0072942,0,1,0,620.8036052,24.91593075,8.530701456,795.1702547,28.19876335,9.264458536,1126.208076,33.55902377,10.4041406,1.360746721,1.360746721,375.4019819,353.8656224,216.5599019,1.060860276,1.733478722,1.634031135,3.907006955,3.779648656,6.126310731,0.620867781,5.80085279,7.445593487,7.418976557,14.67167363,25.00853256,18.78817476,16.27753448,14.06170687,10.15691882,0.74476843,1.479311734,8.62E-07,7.06E-34,1.12E-82,3.40E-153,2.00E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.427425153,6.526069959,0.587778175,5.828647413,1.254317391,4.056619417,1.43223432,1.087143635,0.294798051,0.008501331,0.010418913,6.07E-09,4.97E-36,7.86E-85,2.40E-155,1.41E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.417913889,6.587515234,1.895729826,6.674681149,4.549662995,6.429322284,2.943458888,2.564280338,1.31906374,0.063026738,0.108573112,6.32E-08,5.18E-35,8.19E-84,2.50E-154,1.47E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.434274981,7.344638173,6.970195321,13.79104165,23.00477643,17.66191751,14.8313377,12.85306457,9.203360964,0.665817119,1.318040122,7.68E-07,6.29E-34,9.94E-83,3.03E-153,1.78E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.129428615,6.667181455,2.819263923,7.540208619,7.273049912,8.246451646,4.431894973,3.926056231,2.315786227,0.128890561,0.235835307,1.37E-07,1.13E-34,1.78E-83,5.42E-154,3.19E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.200840578,7.870096765,9.115332955,18.31747108,33.0515011,23.21299001,22.24230272,19.00722728,14.0846927,1.07555503,2.157437136,1.26E-06,1.03E-33,1.63E-82,4.96E-153,2.92E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.649190566,6.315544205,4.405180273,9.600166775,12.92629826,12.53807802,8.304846489,7.579296975,4.780634599,0.30558519,0.590085567,3.44E-07,2.82E-34,4.45E-83,1.36E-153,7.98E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.646554706,1.576120956,1.3080418,0.478519238,0.284975858,0.480361724,0.474174894,0.45530377,5.530717462,9.694726606,20.68166618,0.217778857,1.409840388,2.036491381,0.944089142,0.773388844,0.542490144,0.251490902,0.287053456,0.182230024,0.1587991,3.753969367,4.227777126,9.468686622,0.313735215,0.62808258,2.278266069,1.194500585,0.986869385,0.510863678,0.267847101,0.357852919,0.280901431,0.259327081,4.459636039,6.148557244,13.29384991,0.266295517,0.898081431,2.631397799,1.560437837,1.294894549,0.479593075,0.284402146,0.474969865,0.46520438,0.446223126,5.486730185,9.534117806,20.33785683,0.219389612,1.38639737,2.386254532,1.306471906,1.081454282,0.499824927,0.273653634,0.391938797,0.332205182,0.311447826,4.77418072,7.111089324,15.25678434,0.249737391,1.035591805,2.69402493,1.625220227,1.349184724,0.475268282,0.286714357,0.497443572,0.502827564,0.484305362,5.668429881,10.20584339,21.78152183,0.212902423,1.484576498,2.636658143,1.568717331,1.297068924,0.479179425,0.285094627,0.476588849,0.467920131,0.447729809,5.502444398,9.590833165,20.45817685,0.218769138,1.392238789 +UMLRON0240,L,1-methyl-1-ethylcyclohexane,CCC1(CCCCC1)C,35411,,UML,[1],C9H18,PubChem,,68.7,0,1.3468,1.81387024,21.7836,12.374344,0,0,12,4,8,0,4,0,0,0,0,0,0,0,0,0,585.184996,529.649067,415.695506,248.233273,78.738912,9.144576,0,0,0,1942.737562,2188.443636,2180.902434,1558.996044,874.9221648,279.7536999,0,0,0,83.909776,79.562604,126.568136,111.51082,83.016576,60.466176,0,0,0,14.71250324,17.27505448,19.38092053,14.80954481,9.348943289,4.001516144,0,0,0,1986.518641,1605.36345,2894.320101,2646.198302,2028.241198,1664.258868,0,0,0,24,28,34,27,18,9,0,0,0,48.76541633,48.14991518,23.09419478,15.51457956,6.561576,1.016064,0,0,0,161.8947969,198.9494215,121.1612463,97.43725273,72.9101804,31.08374443,0,0,0,6.992481333,7.232964,7.031563111,6.96942625,6.918048,6.718464,0,0,0,1.226041937,1.570459498,1.076717807,0.925596551,0.779078607,0.444612905,0,0,0,165.54322,145.9421318,160.7955612,165.3873939,169.0200999,184.917652,0,0,0,2,2.545454545,1.888888889,1.6875,1.5,1,0,0,0,0.031893696,-0.001085686,-0.017541671,-0.005558304,0.001594823,0.00664399,0,0,0,322.8426907,-53.80711511,-80.71067267,-67.25889389,-80.71067267,121.066009,0,0,0,600.3397692,-100.0566282,-150.0849423,-125.0707852,-150.0849423,225.1274134,0,0,0,0.063242667,-0.010540444,-0.015810667,-0.013175556,-0.015810667,0.023716,0,0,0,2.683798093,-0.447299682,-0.670949523,-0.559124603,-0.670949523,1.006424285,0,0,0,14.57843384,-2.429738973,-3.644608459,-3.037173716,-3.644608459,5.466912688,0,0,0,2.666666667,-0.444444444,-0.666666667,-0.555555556,-0.666666667,1,0,0,0,0.002657808,-9.87E-05,-9.75E-04,-3.47E-04,1.33E-04,7.38E-04,0,0,0,26.90355756,-4.891555919,-4.483926259,-4.203680868,-6.725889389,13.45177878,0,0,0,50.0283141,-9.096057109,-8.33805235,-7.816924078,-12.50707852,25.01415705,0,0,0,0.005270222,-9.58E-04,-8.78E-04,-8.23E-04,-0.001317556,0.002635111,0,0,0,0.223649841,-0.040663607,-0.037274974,-0.034945288,-0.05591246,0.111824921,0,0,0,1.214869486,-0.220885361,-0.202478248,-0.189823357,-0.303717372,0.607434743,0,0,0,0.222222222,-0.04040404,-0.037037037,-0.034722222,-0.055555556,0.111111111,0,0,0,-0.03713539,-0.36666956,-0.130706962,0.05000434,0.27775563,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,1.262950796,1.46874977,1.194221328,0.546875344,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,0,11.89,12.11003668,-0.181285491,0.043200545,4.966579476,5.802081888,3,11,10,10,2,1,1,0,0,1,8.745656,3.390710197,2.584509236,1.837979866,0.786375036,0.083923071,0.083923071,0.083923071,0.083923071,1.789553149,1.376366662,0.827698544,0.270263698,0.083923071,0.083923071,0.083923071,0.083923071,3.416060273,2.64365993,1.91709112,0.918327447,0.270913902,0.270913902,0.270913902,0.270913902,1.728563216,1.272632769,0.70580992,0.104477258,0.270913902,0.270913902,0.270913902,0.270913902,3.530445574,2.895090214,2.24378896,1.436958256,0.943918427,0.943918427,0.943918427,0.943918427,1.553819833,0.94329689,0.304605346,0.471112772,0.943918427,0.943918427,0.943918427,0.943918427,3.434896943,2.686833051,1.974314718,1.01227312,0.399277246,0.399277246,0.399277246,0.399277246,1.690101937,1.204479793,0.624663305,0.008036186,0.399277246,0.399277246,0.399277246,0.399277246,3.58776046,3.011439194,2.389604742,1.655137903,1.207644823,1.207644823,1.207644823,1.207644823,1.501028367,0.832901232,0.164472647,0.685039239,1.207644823,1.207644823,1.207644823,1.207644823,3.45057003,2.722232483,2.020893764,1.08777252,0.5,0.5,0.5,0.5,1.661745534,1.152761705,0.562473031,0.095511473,0.5,0.5,0.5,0.5,0,0,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,3.154700538,1.488033872,0.666666667,0.333333333,0,0,0,0,0.788675135,0.496011291,0.333333333,0.333333333,0,0,0,0,6.167311215,11.55134741,10.90196078,11.04,7.194217964,92.11302036,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.50859,20.218,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,2,0,2,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.719444444,0,0,0,0.580555556,0,0.719444444,0,0,0,0,0,0,0,0,4,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0,0,0.290277778,0,0.359722222,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0,0,0.290277778,0,0.359722222,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,2,0.359722222,2,0.290277778,2,2.848,0,0,0,0,0,0,2,0.5,0,0,0.43333,0.7,0.41429,0.41429,0.7,0.01905,0.01905,0,0,0.71429,0,0,0.5,0,0,2.5,0.625,1.5,0.375,1,0.25,-0.5,-0.125,0,0,2.08333,0.52083,2.95465,0.87132,0.21783,1.25,0.3125,1.91421,0.66421,0.16605,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3,0,0,0,0,0,0,0.5,0.918295834,1.79248125,1.79248125,1.79248125,1.361654167,0.5,11.01955001,21.509775,21.509775,21.509775,16.33985,6,0.256152145,0.5,0.5,0.5,0.379823824,0.139471473,2.666666667,1.79248125,1.79248125,1.79248125,2.223308334,3.084962501,0.256152145,0.5,0.5,0.5,0.379823824,0.139471473,6.73287657,11.27796084,11.27796084,11.27796084,6.108035837,0.503912516,15.79950001,14.20150417,14.20150417,14.20150417,9.031579168,3,4,3,4,4,2,4,1.9,0.6292,0.333333333,2.828427125,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,1.71,2,1,0,0,0,0,0,0,0,10,1.609437912,1.609437912,1.098612289,0,0,0,0,0,0,0,2.708050201,1.4,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.666666667,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,0,75.1039385,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,56.06260026,4.671883355,6.871320344,1.717830086,0,0,0,10,1,2.31,10,1.188017394,2.060985138,2.933606679,3.749463668,4.847692575,0,0,0,0,0,66.36786025,55.03856777,54.09816018,28.0854339,4.925565908,0,0,0,0,0,257.7688965,272.6145696,309.578207,299.6445554,150.6844371,0,0,0,0,0,8.622213516,14.5505005,20.49619275,26.06432499,32.56904805,0,0,0,0,0,1.981917004,2.363908222,2.857819216,3.131199231,2.155346677,0,0,0,0,0,171.5559643,327.0885234,481.5866163,623.7497377,896.4239286,0,0,0,0,0,3.162741753,4.085084594,5.133387226,5.938237116,4.847692575,0,0,0,0,0,0.411980673,0.502676856,0.614583173,0.685120306,0.49640372,0,0,0,0,0,240.0021017,66.29896297,7.893177567,97.36502492,-26.89643189,-6.262642137,142.6370768,93.19539486,14.1558197,0.711397415,0.196518741,0.023396404,0.288602585,-0.079724519,-0.018563285,80.96881942,22.36709063,2.662898636,32.84775869,-9.073971943,-2.112809582,0.204931531,0.330482582,4.664976871,9.374694848,337.3671266,0,1,0,209.2665805,14.46604924,5.936994218,289.6761399,17.01987485,6.616641048,265.0376431,16.27997675,6.42346241,2.09810518,2.09810518,141.8352679,133.3376728,14.89399822,1.06372989,9.522981394,8.952443178,2.71065771,3.204917586,5.281728771,0.648007673,3.391793885,2.074000348,1.615147766,4.186959765,2.314976162,2.128127713,0.434770424,3.116000161,1.625560412,0.017049939,7.84E-23,6.96E-65,1.19E-128,3.93E-214,2.5E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.284657545,2.070655074,0.132600956,2.019225102,0.027768291,0.030493412,0.293879126,0.190784117,0.011449032,1.20E-04,5.52E-25,4.90E-67,8.38E-131,2.77E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.918890314,2.070878675,0.429994047,2.180509392,0.199358679,0.196026957,0.322177566,0.662473932,0.119307135,0.001251369,5.76E-24,5.11E-66,8.74E-130,2.88E-215,1.83E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.201577225,2.073633089,1.522538414,3.954774571,2.070495537,1.906799301,0.425982258,2.89255493,1.448345115,0.015191188,6.99E-23,6.20E-65,1.06E-128,3.50E-214,2.23E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.354271227,2.071168529,0.635696883,2.374719084,0.404824104,0.387643305,0.341740284,1.023510773,0.259150851,0.002718141,1.25E-23,1.11E-65,1.90E-129,6.26E-215,4.0E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.096080561,2.07554461,1.9601378,5.159586864,3.338783676,3.053102642,0.46749401,3.993691084,2.370726837,0.024865733,1.14E-22,1.01E-64,1.74E-128,5.73E-214,3.646E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.695901193,2.071473694,0.797990102,2.574701793,0.616022028,0.582450128,0.35716848,1.328030666,0.406390354,0.004262485,1.96E-23,1.74E-65,2.98E-129,9.82E-215,6.27E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.391000671,0.651198193,0.264447482,0.787387772,0.151207724,0.66099894,0.408034674,0.333320592,4.306646346,3.277162819,8.167765666,0.681081658,1.402354206,2.321137639,0.208543189,0.057010707,0.897338398,0.080621592,0.309731782,0.041692766,0.015491595,2.586691536,0.628276339,3.242564333,0.846007597,0.366916143,2.745735896,0.384668002,0.139397861,0.839725494,0.117642607,0.433304602,0.142200077,0.09261802,3.269801759,1.492568348,4.909601673,0.75958824,0.668122699,3.364486202,0.640266977,0.259311932,0.789032558,0.150154128,0.650693436,0.394445062,0.320500177,4.264065111,3.192649693,8.015316635,0.683548837,1.365638674,2.935145761,0.463025134,0.176121206,0.821182399,0.129543171,0.495147363,0.206156122,0.147844978,3.574292101,1.957536217,5.771185185,0.731773598,0.849148462,3.474017276,0.68541403,0.280525518,0.782443932,0.15437403,0.693791927,0.452053929,0.375083551,4.439956824,3.547966803,8.655894209,0.673665898,1.520929407,3.361319809,0.638961454,0.258698624,0.7892312,0.150026878,0.64946818,0.39283738,0.318985916,4.258979887,3.18262105,7.997221887,0.683846801,1.361291477 +UMLRON0241,L,2-butene,C/C=C/C,62695,,UML,[1],C4H8,PubChem,,99.6,0,-0.0316,9.99E-04,20.5167,15.46793,0,0,15,5,10,0,5,0,0,0,0,0,0,0,0,0,731.481245,842.391485,656.816331,450.070322,132.247584,12.192768,0,0,0,2428.421953,3264.950672,3522.312267,2721.213111,1489.287352,373.0049332,0,0,0,104.88722,108.8789,191.049708,207.98804,145.079424,80.621568,0,0,0,18.39062905,25.0799431,31.07817501,26.0541382,16.02618505,5.335354858,0,0,0,2483.148301,2165.197258,4246.094839,5049.741717,3565.319649,2219.011824,0,0,0,22.52777778,27.58333333,40.16666667,40,28,12,0,0,0,48.76541633,56.15943233,24.32653078,15.00234407,6.297504,1.016064,0,0,0,161.8947969,217.6633782,130.4560099,90.70710369,70.91844535,31.08374443,0,0,0,6.992481333,7.258593333,7.075915111,6.932934667,6.908544,6.718464,0,0,0,1.226041937,1.671996207,1.151043519,0.868471273,0.763151669,0.444612905,0,0,0,165.54322,144.3464838,157.2627718,168.3247239,169.7771262,184.917652,0,0,0,1.501851852,1.838888889,1.487654321,1.333333333,1.333333333,1,0,0,0,0.020323964,-0.001653043,-0.01182387,0.002062553,-0.006079323,0.0073317,0,0,0,403.5533633,9.24E-14,-242.132018,2.49E-14,-121.066009,161.4213453,0,0,0,750.4247115,2.42E-13,-450.2548269,-2.06E-13,-225.1274134,300.1698846,0,0,0,0.079053333,1.13E-15,-0.047432,-4.52E-16,-0.023716,0.031621333,0,0,0,3.354747616,-1.33E-15,-2.01284857,3.05E-16,-1.006424285,1.341899046,0,0,0,18.22304229,5.46E-14,-10.93382538,-2.58E-14,-5.466912688,7.289216918,0,0,0,1.325925926,-0.355555556,-0.532962963,0.37037037,-0.572962963,0.428148148,0,0,0,0.001354931,-1.10E-04,-4.38E-04,6.88E-05,-2.89E-04,6.11E-04,0,0,0,26.90355756,6.16E-15,-8.967852519,8.29E-16,-5.765048048,13.45177878,0,0,0,50.0283141,1.61E-14,-16.6761047,-6.87E-15,-10.72035302,25.01415705,0,0,0,0.005270222,7.55E-17,-0.001756741,-1.51E-17,-0.001129333,0.002635111,0,0,0,0.223649841,-8.88E-17,-0.074549947,1.02E-17,-0.047924966,0.111824921,0,0,0,1.214869486,3.64E-15,-0.404956495,-8.59E-16,-0.260329176,0.607434743,0,0,0,0.088395062,-0.023703704,-0.019739369,0.012345679,-0.027283951,0.035679012,0,0,0,-0.08133468,-0.323205481,0.050741901,-0.213657796,0.450927075,0,0,0,2.29E-16,-0.333333333,3.08E-17,-0.214285714,0.5,0,0,0,3.22E-16,-0.333333333,-1.37E-16,-0.214285714,0.5,0,0,0,1.43E-14,-0.333333333,-2.86E-15,-0.214285714,0.5,0,0,0,-3.97E-16,-0.333333333,4.55E-17,-0.214285714,0.5,0,0,0,3.00E-15,-0.333333333,-7.07E-16,-0.214285714,0.5,0,0,0,-0.268156425,-0.223308504,0.139664804,-0.308659218,0.403631285,0,0,0,1.480769213,1.334400663,0.806259259,1.07211577,0.004786249,0,0,0,1.4,1.4,0.84,1,0,0,0,0,1.4,1.4,0.84,1,0,0,0,0,1.4,1.4,0.84,1,0,0,0,0,1.4,1.4,0.84,1,0,0,0,0,1.4,1.4,0.84,1,0,0,0,0,1.740223464,1.097144631,0.674581006,1.382681564,0,0,0,0,14.01721518,7.00860759,11.27121421,14.01721518,2.803443036,7.010645418,-7.11E-15,0.11781708,0.023563416,-1.069311014,15.8369439,3.167388779,1.381172716,14.01721518,7.00860759,11.27121421,14.01721518,2.803443036,7.010645418,-7.11E-15,0.11781708,0.023563416,-1.069311014,15.8369439,3.167388779,1.381172716,14.01721518,7.00860759,11.27121421,14.01721518,2.803443036,7.010645418,-7.11E-15,0.11781708,0.023563416,-1.069311014,15.8369439,3.167388779,1.381172716,14.01721518,7.00860759,11.27121421,14.01721518,2.803443036,7.010645418,-7.11E-15,0.11781708,0.023563416,-1.069311014,15.8369439,3.167388779,1.381172716,14.01721518,7.00860759,11.27121421,14.01721518,2.803443036,7.010645418,-7.11E-15,0.11781708,0.023563416,-1.069311014,15.8369439,3.167388779,1.381172716,14.01721518,7.00860759,11.27121421,14.01721518,2.803443036,7.010645418,-7.11E-15,0.11781708,0.023563416,-1.069311014,15.8369439,3.167388779,1.381172716,15.72929117,7.818812252,12.68500191,15.67429117,3.134858234,7.81967291,-0.091666667,0.062662112,0.012532422,-1.384999144,16.99660182,3.399320364,1.416506716,0,11.9,12.10006119,-0.149733405,0.050326441,5.030245864,6.626255313,5,15,15,15,5,0,0,0,0,0,10.93207,3.682792498,2.875308623,1.781050836,1.456797487,0.982407959,0.083923071,0.083923071,0.083923071,1.731768936,1.372874417,1.186353807,0.738867578,0.328877313,0.083923071,0.083923071,0.083923071,3.705577992,2.922305584,1.865524179,1.556142907,1.102192339,0.270913902,0.270913902,0.270913902,1.661104775,1.285229005,1.087403324,0.598810515,0.164625872,0.270913902,0.270913902,0.270913902,3.80594873,3.125058403,2.217061761,1.9628467,1.580076055,0.943918427,0.943918427,0.943918427,1.452975438,1.018928274,0.778724159,0.128859154,0.408087509,0.943918427,0.943918427,0.943918427,3.722369034,2.956757588,1.926828619,1.62787375,1.187918158,0.399277246,0.399277246,0.399277246,1.616026867,1.228596505,1.022817432,0.504890112,0.053030006,0.399277246,0.399277246,0.399277246,3.855033944,3.220804695,2.374691829,2.141548494,1.784308279,1.207644823,1.207644823,1.207644823,1.388431721,0.933903671,0.677326107,0.038744208,0.622754165,1.207644823,1.207644823,1.207644823,3.707302022,3.112760519,2.069458384,1.752482097,1.322178027,0.638297872,0.638297872,0.638297872,1.53422568,1.156737416,0.887361011,0.329217177,0.134849597,0.638297872,0.638297872,0.638297872,0,0,0,0,0,1,3,1,0,0.288675135,0.204124145,0,0,0,0.288675135,0.204124145,0,0,0,0.204124145,0,0,0,0.204124145,0,0,0,0.204124145,0,0,0.204124145,0,0,3.698670613,2.431851653,1.851623963,0.98559856,0.40824829,0,0,0,0.739734123,0.486370331,0.308603994,0.24639964,0.204124145,0,0,0,3.698670613,2.431851653,1.851623963,0.98559856,0.40824829,0,0,0,0.739734123,0.486370331,0.308603994,0.24639964,0.204124145,0,0,0,7.709139019,14.43918427,13.62745098,13.8,8.992772455,115.1412754,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.8064,23.015,9.863036119,15.50058986,19.72607224,3.945214447,9.863133662,0.087471204,0.017494241,-1.21822282,21.86654392,4.373308785,1.542478897,25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,1,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,2.261574074,0,4.4375,0,0,0,1.134259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.261574074,0,1.416666667,0,0,0,1.134259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.261574074,0,1.510416667,0,0,0,1.134259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.833333333,1.566666667,0.2,2.261574074,0.2,1.134259259,3.597935185,0.199074074,0.261574074,0.564814815,0.199074074,0.261574074,0.564814815,2.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.2,0.2,0,2.5,0.5,2.5,0.5,0,0,-2.5,-0.5,0,0,3.69192,0.73838,3.69192,0,0,2.43185,0.48637,2.43185,0,0,-0.01785,-0.00357,0.06815,0.01363,0.2,5,0,0,0,0,0,0,1,0.918295834,1.375279366,2.422579762,2.789898095,2.529438722,2.008519976,13.77443751,20.62919048,36.33869643,41.84847143,37.94158084,30.12779965,0.235045188,0.35201379,0.620078731,0.714096806,0.647430139,0.514096806,2.988594762,2.53161123,1.484310834,1.1169925,1.377451873,1.898370619,0.235045188,0.35201379,0.620078731,0.714096806,0.647430139,0.514096806,6.73287657,12.21667895,15.2909882,15.66118081,12.53566833,9.147658382,19.74937501,15.38420362,14.16553733,13.80209736,12.23934112,10.41612551,3.2,1,0.64,2,0,2,2.01,0.7045,0,1.44224957,0.5,0,1.889881575,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,2.397,6,4,2,0,0,0,0,0,0,22,1.791759469,1.945910149,1.609437912,1.098612289,0,0,0,0,0,0,3.135494216,1,0.333333333,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,2,0.4,0,2,3,0.5,1,0.5,0.222222222,0,0,0,0,0,0,0,0.2,0.166666667,0.111111111,0,0,0,0,0,0,0,0.477777778,7.00860759,11.27121421,14.01721518,2.803443036,7.010645418,0.11781708,0.023563416,-1.069311014,15.8369439,3.167388779,1.381172716,0,82.67992313,3.321928095,3.135494216,3.891820298,4.672828834,5.459585514,6.251903883,7.044905117,7.839525582,8.633908991,9.428913495,66.35888593,2.397895273,1.945910149,3.555348061,3.713572067,4.96284463,5.416100402,6.466144724,7.070724107,8.010027528,8.573573525,70.07825032,4.671883355,9.148995135,1.829799027,0,0,0,17,2,2.784,22,1.221991529,2.129836766,2.890562602,3.575741576,3.957294275,0,0,0,0,0,79.41842867,58.2582437,47.29149889,22.70914595,4.020864251,0,0,0,0,0,291.1981173,297.0357193,276.2956498,255.0258695,123.0075239,0,0,0,0,0,8.904472707,15.11714339,20.08368159,24.71003851,26.58693913,0,0,0,0,0,2.179976456,2.570988406,2.605231918,2.740346822,1.759464103,0,0,0,0,0,174.2401936,331.5469882,483.2461249,606.5318704,731.7735658,0,0,0,0,0,2.302665378,3.242026372,3.933700804,4.783214765,3.957294275,0,0,0,0,0,0.450977735,0.545979473,0.562767652,0.602820523,0.405226934,0,0,0,0,0,256.6821261,66.2375524,6.563890585,67.23721682,-17.35075496,-3.785954534,189.4449092,83.58830736,10.34984512,0.792426052,0.204487796,0.020263966,0.207573948,-0.053565047,-0.011687954,83.14430561,21.45562445,2.126171125,21.77943509,-5.620245146,-1.226343905,0.115761712,0.25161398,2.681247835,7.335277187,323.9193429,0,1,0,335.3540687,18.31267508,6.947595522,434.6627471,20.84856703,7.575026215,432.0882431,20.78673238,7.560040983,1.688363758,1.688363758,157.2644513,137.4258341,46.93762263,1.144358717,3.350498864,2.927839682,3.001683831,3.240213689,5.392784529,0.664329901,3.781026805,3.930937634,2.517814624,8.196214385,7.901092382,6.036825322,3.611057073,2.982824675,0.946125038,0.316790147,9.71E-17,5.74E-54,6.54E-113,1.44E-193,6.10E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.317315417,3.929710001,0.118398906,3.141252669,0.577110153,1.091860749,0.091059455,0.140991155,0.006663636,0.002231179,6.84E-19,4.04E-56,4.61E-115,1.01E-195,4.29E-298,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.024332755,3.929792253,0.443423082,3.769472041,1.156997989,1.806383574,0.433638288,0.52718167,0.069440225,0.023250604,7.12E-18,4.21E-55,4.80E-114,1.06E-194,4.48E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.568980875,3.930802928,2.312641825,7.743970789,7.12899382,5.629790018,3.262574566,2.740258408,0.842980375,0.282254317,8.65E-17,5.11E-54,5.83E-113,1.28E-193,5.43E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.509677992,3.929898698,0.715459,4.320563946,1.826782887,2.384428121,0.780428641,0.849858799,0.150833448,0.05050342,1.55E-17,9.15E-55,1.04E-113,2.29E-194,9.72E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.566137438,3.931504004,3.343652309,10.03278763,11.1273965,7.662327876,5.052331984,3.9588186,1.379834449,0.462008656,1.42E-16,8.37E-54,9.54E-113,2.10E-193,8.89E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.448757914,3.679120643,1.29027469,5.458047566,3.758702209,3.756353181,1.645337294,1.68672171,0.385474213,0.129067964,3.96E-17,2.34E-54,2.66E-113,5.86E-194,2.48E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.390234896,0.907446638,0.59431184,0.614141564,0.233157293,0.546805481,0.511768114,0.400293514,3.891993374,4.128861801,9.309923868,0.421212345,1.458867109,1.781511481,0.477551283,0.194420754,0.726115121,0.19464214,0.306765514,0.148395391,0.042643259,2.453483518,1.289971779,3.908861299,0.589172681,0.497804164,2.022965751,0.648270281,0.353576908,0.668790365,0.214317478,0.39376799,0.268075651,0.141449667,3.02481294,2.255915953,5.744419754,0.503185548,0.803293309,2.375135604,0.896800344,0.584443976,0.61589772,0.232549791,0.540020532,0.50031824,0.387107326,3.856379923,4.04228568,9.143544378,0.423846581,1.427446098,2.130731487,0.724372024,0.424374469,0.649716662,0.220880283,0.436080909,0.331990744,0.203930951,3.27947798,2.755075315,6.689550792,0.474574993,0.972002605,2.437514965,0.940779004,0.625195612,0.608847586,0.234989747,0.568324934,0.548404831,0.442977869,4.003489581,4.405257466,9.84242243,0.413271378,1.559707633,2.383635133,0.898509987,0.586001348,0.61622153,0.232284376,0.543629985,0.501198416,0.389173509,3.868146468,4.065061436,9.188258693,0.424332294,1.43400191 +UMLRON0242,L,ethylcyclopropane,CCC1CC1,70933,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C5H10,PubChem,,100.2,0,0.3211,0.10310521,34.5894,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1323.6122,1609.182801,1369.168591,765.865803,337.132825,76.792464,6.096384,0,3823.307636,4994.447843,6928.73748,6798.918459,4813.210131,2744.755653,1071.022993,186.5024666,0,154.382624,159.970976,299.553156,386.446588,328.612332,261.712036,143.083584,40.310784,0,28.53578067,37.90082034,56.49561099,59.59379878,45.32188435,28.60461715,12.68152803,2.667677429,0,3603.201977,3158.070517,6448.554114,8873.344869,7690.087045,6523.616021,3724.295171,1109.505912,0,36.02777778,44.08333333,72.41666667,85.41666667,69.58333333,49,24.5,6,0,53.10626655,60.16419091,38.31387621,24.89397438,16.29501709,8.871916447,3.656784,1.016064,0,173.7867107,227.0203565,164.96994,123.6166993,102.4087262,72.23041192,51.00109489,31.08374443,0,7.017392,7.271408,7.132218,7.0263016,6.991751745,6.887158842,6.813504,6.718464,0,1.297080939,1.722764561,1.345133595,1.083523614,0.964295412,0.752753083,0.603882287,0.444612905,0,163.781908,143.5486599,153.5370027,161.3335431,163.6188733,171.6741058,177.3473891,184.917652,0,1.637626263,2.003787879,1.724206349,1.553030303,1.480496454,1.289473684,1.166666667,1,0,0.038119035,0.001229315,-0.010832833,-0.012716059,-0.012580655,0.007501188,0.00459209,0.003747436,0,616.3360458,5.47E-13,-131.0714643,-121.066009,-293.15984,25.01363822,116.0632814,96.05237078,0,1146.103196,7.11E-14,-243.7329848,-225.1274134,-545.1432408,46.5139284,215.8246278,178.613485,0,0.120736,1.75E-15,-0.025676,-0.023716,-0.057428,0.0049,0.022736,0.018816,0,5.123614541,1.08E-14,-1.089599846,-1.006424285,-2.437043929,0.207938902,0.964836504,0.798485383,0,27.8315555,-2.75E-14,-5.918723654,-5.466912688,-13.2380613,1.129527415,5.241007205,4.337385273,0,2.481060606,-0.16540404,-0.401974288,-0.30239899,-1.167871901,0.129935721,0.336260331,0.330922865,0,0.001732683,5.59E-05,-2.58E-04,-2.31E-04,-2.68E-04,1.97E-04,2.19E-04,6.25E-04,0,28.01527481,2.49E-14,-3.12074915,-2.201200164,-6.237443404,0.658253637,5.526822922,16.00872846,0,52.0955998,3.23E-15,-5.803166305,-4.093225699,-11.59879236,1.224050747,10.27736323,29.76891417,0,0.005488,7.96E-17,-6.11E-04,-4.31E-04,-0.001221872,1.29E-04,0.001082667,0.003136,0,0.23289157,4.92E-16,-0.025942853,-0.018298623,-0.051851998,0.005472076,0.045944595,0.133080897,0,1.265070705,-1.25E-15,-0.140921992,-0.099398413,-0.281660879,0.029724406,0.249571772,0.722897546,0,0.112775482,-0.007518365,-0.009570816,-0.005498163,-0.024848338,0.003419361,0.016012397,0.055153811,0,0.032249367,-0.148858462,-0.133435266,-0.154484948,0.113927156,0.126203631,0.360465555,0,8.88E-16,-0.111394558,-0.078571429,-0.222644377,0.023496241,0.197278912,0.571428571,0,6.20E-17,-0.111394558,-0.078571429,-0.222644377,0.023496241,0.197278912,0.571428571,0,1.45E-14,-0.111394558,-0.078571429,-0.222644377,0.023496241,0.197278912,0.571428571,0,2.11E-15,-0.111394558,-0.078571429,-0.222644377,0.023496241,0.197278912,0.571428571,0,-9.89E-16,-0.111394558,-0.078571429,-0.222644377,0.023496241,0.197278912,0.571428571,0,-0.066666667,-0.084866109,-0.048753181,-0.220334579,0.030320075,0.141984733,0.489058524,0,1.21420805,1.282828609,1.192564292,1.121270221,0.613334297,0.418586499,0.003477523,0,1.3125,1.227678571,1.05,1.140957447,0.759868421,0.491071429,0,0,1.3125,1.227678571,1.05,1.140957447,0.759868421,0.491071429,0,0,1.3125,1.227678571,1.05,1.140957447,0.759868421,0.491071429,0,0,1.3125,1.227678571,1.05,1.140957447,0.759868421,0.491071429,0,0,1.3125,1.227678571,1.05,1.140957447,0.759868421,0.491071429,0,0,1.378625954,1.122391858,1.030229008,1.205587137,0.75174769,0.554198473,0,0,29.98742356,14.99371178,22.21969322,29.98742356,3.748427945,14.99371293,-8.88E-15,0.083333613,0.010416702,-1.987922631,52.63640843,6.579551054,3.170726445,29.98742356,14.99371178,22.21969322,29.98742356,3.748427945,14.99371293,-8.88E-15,0.083333613,0.010416702,-1.987922631,52.63640843,6.579551054,3.170726445,29.98742356,14.99371178,22.21969322,29.98742356,3.748427945,14.99371293,-8.88E-15,0.083333613,0.010416702,-1.987922631,52.63640843,6.579551054,3.170726445,29.98742356,14.99371178,22.21969322,29.98742356,3.748427945,14.99371293,-8.88E-15,0.083333613,0.010416702,-1.987922631,52.63640843,6.579551054,3.170726445,29.98742356,14.99371178,22.21969322,29.98742356,3.748427945,14.99371293,-8.88E-15,0.083333613,0.010416702,-1.987922631,52.63640843,6.579551054,3.170726445,29.98742356,14.99371178,22.21969322,29.98742356,3.748427945,14.99371293,-8.88E-15,0.083333613,0.010416702,-1.987922631,52.63640843,6.579551054,3.170726445,31.21562047,15.54808801,22.87041426,31.12603713,3.890754642,15.54808864,-0.119444444,0.016005418,0.002000677,-3.307862405,44.56427317,5.570534147,3.03754599,0,11.9,12.10012615,-0.140790063,0.060071253,5.574058625,8.483505835,8,22,21,21,7,1,1,0,0,1,15.304898,3.683600447,3.084975764,2.690253282,2.551307512,1.669439616,1.368842765,1.215247725,0.331947217,1.986470499,1.634081875,1.304885732,1.18972002,0.790246299,0.582524023,0.520224388,0.083923071,3.702571948,3.121894608,2.731082716,2.597031279,1.759904148,1.466582739,1.328511186,0.462753053,1.939212714,1.555024728,1.216068291,1.102014014,0.65430463,0.435334422,0.371975565,0.270913902,3.788401093,3.285633429,2.913432947,2.794341958,2.132892348,1.870481733,1.779920381,0.957943155,1.806020704,1.318410308,0.950141221,0.83278145,0.202021271,0.054635156,0.139121741,0.943918427,3.716675023,3.149199151,2.761353297,2.63056079,1.825353361,1.53739202,1.409542569,0.554803489,1.909635733,1.504243229,1.158954374,1.045223552,0.563404681,0.336859843,0.271617569,0.399277246,3.831674251,3.365544702,3.003016882,2.887495228,2.298411028,2.049776428,1.972425132,1.207644823,1.766273585,1.24403123,0.866927677,0.745059808,0.042553562,0.22738011,0.327122379,1.155513482,3.744719508,3.206432459,2.817510126,2.699394407,1.936026264,1.660385315,1.523980718,0.711397764,1.881922099,1.421691557,1.10313433,0.921348555,0.422152314,0.18391269,0.11252046,0.607594937,0,0,0,1,1,1,5,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.072168784,0.051031036,0.204124145,0,0,0,0.144337567,0,0,0,0.49279928,0.594861352,0.49279928,0.348461713,0.420630496,0.348461713,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,5.612884175,3.611136987,2.461707742,1.83915195,1.225762193,0.820631906,0.262619204,0.102062073,0.701610522,0.451392123,0.273523082,0.183915195,0.122576219,0.082063191,0.065654801,0.051031036,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.82299,36.572,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,6,3,0,1,0,0,0,0,0,0,0,0,1,0,5,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,1.601041667,0.870833333,0,0.272916667,0,0,0,0,0,0,0,0,2.247175926,0,6.836157407,0,2.40625,0,0,0,0,1.677083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.677083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,0.243402778,0.290277778,0,0.272916667,0,0,0,0,0,0,0,0,2.247175926,0,1.277777778,0,2.40625,0,0,0,0,1.677083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.40625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,0.290277778,0.290277778,0,0.272916667,0,0,0,0,0,0,0,0,2.247175926,0,1.430231481,0,2.40625,0,0,0,0,1.677083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.16666667,1.645833333,0.290277778,2.40625,0.026041667,1.277777778,4.70308912,0.222222222,0.40625,1.327685185,0.222222222,0.40625,1.327685185,4,0.5,0,0,0.44545,0.7,0.43333,0.43333,0.7,0.01212,0.01212,0,0,0.71429,0,0,0.125,0.125,0,5,0.625,4,0.5,1,0.125,-3,-0.375,0,0,6.98249,0.87281,8.02289,1.0404,0.13005,3.41672,0.42709,3.93185,0.51512,0.06439,-0.01785,-0.00223,0.06815,0.00852,0.272727273,8,0,0,0,0,0,0,0.75,0.945660305,1.965767808,2.99285605,3.42511855,3.788754914,3.606936732,20.8045267,43.24689177,65.8428331,75.35260811,83.35260811,79.35260811,0.212058483,0.440811291,0.671129486,0.768061682,0.849604891,0.808833287,3.513771314,2.493663811,1.466575568,1.034313068,0.670676705,0.852494886,0.209052139,0.434561929,0.661614913,0.757172906,0.83756008,0.797366493,6.786633838,16.43114617,18.84273529,21.27695753,21.64343936,19.46162117,31.28312609,20.5112056,18.64729656,15.31463226,14.25322744,16.93624375,6.125,3.111111111,1.8,2,2,2,2.34,1.0842,0,2.00414513,0.5,0,7.732315986,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.076,0.353,0.392,4.039,9,10,10,10,4,2,0,0,0,61,2.302585093,2.564949357,2.772588722,2.833213344,2.890371758,1.945910149,1.386294361,0,0,0,4.465908119,1.409836066,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,2,0.25,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,0,131.9314183,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,110.1095504,5.004979566,15.69266546,1.961583183,0,0,0,64,7,3.424,34,1.276135462,2.232095873,3.019964262,3.781719338,4.525221306,5.271970409,6.066050872,0,0,0,90.56942421,95.66103743,81.22987437,68.29075825,43.86961642,20.10765015,6.163495913,0,0,0,321.932708,396.4350828,392.6357829,407.5869585,343.2228113,275.1303641,188.555575,0,0,0,9.323433332,15.98066774,21.27116839,26.49195394,31.2261225,35.95043428,40.75454441,0,0,0,2.373319277,3.172315135,3.396308442,3.774476128,3.523719654,3.233660557,2.697044499,0,0,0,180.4399535,338.3767324,483.3618773,615.0100567,772.1930248,932.5931046,1121.719884,0,0,0,2.651716781,3.971432496,4.787627605,5.672763956,5.943070807,6.213220958,6.066050872,0,0,0,0.489584152,0.664840114,0.72232157,0.811491862,0.771340006,0.722856888,0.621163609,0,0,0,294.3780963,123.4263786,8.767884469,37.07796007,-15.54598795,-2.240785366,257.3001362,138.9723666,11.00866983,0.888136121,0.372376296,0.02645263,0.111863879,-0.046902109,-0.00676043,97.57340289,40.91042072,2.906168409,12.28971442,-5.15281186,-0.742721881,0.136334936,0.202181433,3.012992024,2.320791703,331.4560564,0,1,0,487.5544177,22.08063445,7.870597416,623.3852351,24.96768382,8.542510159,810.182204,28.46369976,9.322396416,1.905095408,1.800160031,447.7183604,366.5275881,140.0340218,1.2215134,3.197211325,2.617418134,4.028081598,3.986298689,6.891246362,0.728733068,3.986411483,4.211295412,3.405886986,18.39718263,12.84944152,9.040805983,11.73691964,10.09849771,3.147410231,4.602726862,3.821397231,1.565939478,0.30644046,8.05E-17,4.08E-54,3.99E-113,7.52E-194,2.73E-296,0,0,0,0,0,0,0,0,0,0,0,0,0.334685095,4.211023988,0.356390505,6.019392684,4.933538926,0.792723885,2.103326101,1.312017487,0.242847019,0.186530985,0.147025267,0.011029041,0.002158285,5.67E-19,2.87E-56,2.81E-115,5.30E-196,1.93E-298,0,0,0,0,0,0,0,0,0,0,0,0,1.080080303,4.211042652,0.923710945,7.870674277,5.845119146,1.983511902,3.470362515,2.340980125,0.598080469,0.733727188,0.589056948,0.114931101,0.022490996,5.91E-18,2.99E-55,2.93E-114,5.52E-195,2.01E-297,0,0,0,0,0,0,0,0,0,0,0,0,3.76285541,4.211265799,3.199689884,17.40052825,12.11570442,8.361520427,10.93511524,9.290124883,2.885522317,4.20705089,3.487499578,1.395223883,0.273032932,7.17E-17,3.64E-54,3.55E-113,6.70E-194,2.44E-296,0,0,0,0,0,0,0,0,0,0,0,0,1.591770745,4.211066373,1.32953287,9.342028401,6.679989149,2.947279414,4.586760092,3.274340043,0.912500248,1.214542463,0.98394525,0.249645706,0.048853449,1.28E-17,6.50E-55,6.36E-114,1.20E-194,4.36E-297,0,0,0,0,0,0,0,0,0,0,0,0,4.814138997,4.211419815,4.191493178,22.35859252,15.84900953,11.75384903,14.94639898,13.39863769,4.212521464,6.210027911,5.181380437,2.283775555,0.44691461,1.17E-16,5.95E-54,5.82E-113,1.10E-193,3.99E-296,0,0,0,0,0,0,0,0,0,0,0,0,2.428600612,3.927525433,2.005196018,12.07651734,8.649874051,4.830132812,6.664692268,4.866191672,1.534900063,2.244076927,1.802887967,0.578100399,0.113129117,2.97E-17,1.51E-54,1.47E-113,2.78E-194,1.01E-296,0,0,0,0,0,0,0,0,0,0,0,0,4.10576026,1.565981669,0.696385859,0.644735847,0.245909272,0.569080095,0.458314943,0.402502894,6.368127787,10.37926618,21.22483839,0.46710377,1.429897932,3.066548578,1.014008128,0.268519808,0.705103387,0.233154815,0.318274837,0.191426804,0.058400061,4.349076514,4.205215485,9.389255733,0.55765508,0.568101702,3.462198275,1.223968296,0.431760016,0.676484552,0.239153156,0.405236756,0.27924047,0.152594254,5.117926587,6.260920277,13.20848214,0.514726828,0.837071479,4.078238468,1.551344498,0.685088645,0.6458354,0.245673028,0.561505677,0.449730799,0.389346791,6.314671611,10.18351618,20.8325743,0.468753101,1.400583267,3.645600328,1.321377232,0.507276352,0.665953824,0.241380333,0.449103078,0.325678554,0.211555038,5.474253913,7.33684353,15.25475582,0.498930736,0.98633667,4.192557692,1.612149862,0.732004498,0.641386321,0.246630087,0.59330034,0.485932231,0.44544423,6.536712052,11.00810334,22.49245671,0.462079481,1.5246768,4.082873269,1.554033364,0.686566673,0.645669408,0.245756294,0.562652166,0.451320806,0.390838939,6.323473307,10.21503352,20.89471832,0.468504113,1.404811911 +UMLRON0243,L,1-ethylcyclohexene,CCC1=CCCCC1,73937,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C8H14,PubChem,,85.45,0,0.2605,0.06786025,30.385,20.321516,0,0,19,7,12,0,7,0,0,0,0,0,0,0,0,0,1022.041615,1155.133903,1415.474264,894.974644,498.498674,137.327904,12.192768,0,0,3337.623245,4341.457709,6015.190369,5028.739183,3180.159576,1644.706075,373.0049332,0,0,133.40518,138.195196,256.823648,308.879824,236.458568,178.671744,80.621568,0,0,24.85765486,32.88483172,48.80792084,45.66340132,30.50831544,18.24924958,5.335354858,0,0,3106.572317,2725.031065,5524.351915,7109.005898,5662.231908,4489.90791,2219.011824,0,0,31.77777778,39.08333333,62.41666667,67.66666667,50,33,12,0,0,53.79166395,60.79652121,39.31872956,20.34033282,14.66172571,5.281842462,1.016064,0,0,175.6643813,228.4977741,167.0886214,114.2895269,93.53410519,63.25792595,31.08374443,0,0,7.021325263,7.273431368,7.133990222,7.019996,6.954663765,6.871990154,6.718464,0,0,1.308297624,1.730780617,1.355775579,1.037804576,0.897303395,0.701894215,0.444612905,0,0,163.5038062,143.4226876,153.4542199,161.5683159,166.5362326,172.6887658,184.917652,0,0,1.67251462,2.057017544,1.733796296,1.537878788,1.470588235,1.269230769,1,0,0,0.034329708,0.002770763,-0.011960057,-0.016100604,-0.003842859,0.003214467,0.008753434,0,0,535.2391977,5.47E-13,-90.21262166,-264.6013327,-91.21871038,-18.78032273,197.1933886,0,0,995.3001436,-1.14E-13,-167.7542222,-492.037477,-169.6250871,-34.92281206,366.6895266,0,0,0.104849684,1.51E-15,-0.017672033,-0.051833584,-0.017869119,-0.003678936,0.038628831,0,0,4.449454733,3.83E-15,-0.749939426,-2.199636456,-0.758303062,-0.156121219,1.639272796,0,0,24.16950873,7.99E-14,-4.073682862,-11.94846014,-4.119114269,-0.848052938,8.904555847,0,0,2.298245614,0.054093567,-0.475915666,-0.667282241,-0.633117882,-0.150815636,0.723915051,0,0,0.001806827,1.46E-04,-3.32E-04,-3.66E-04,-1.13E-04,1.24E-04,7.29E-04,0,0,28.17048409,2.88E-14,-2.505906157,-6.013666652,-2.682903247,-0.722320105,16.43278239,0,0,52.38421809,-5.98E-15,-4.659839506,-11.18266993,-4.988973151,-1.343185079,30.55746055,0,0,0.005518404,7.95E-17,-4.91E-04,-0.001178036,-5.26E-04,-1.41E-04,0.003219069,0,0,0.234181828,2.02E-16,-0.020831651,-0.049991738,-0.022303031,-0.006004662,0.136606066,0,0,1.272079407,4.21E-15,-0.113157857,-0.271555912,-0.12115042,-0.032617421,0.742046321,0,0,0.120960295,0.00284703,-0.01321988,-0.015165505,-0.018621114,-0.005800601,0.060326254,0,0,0.080710359,-0.183871415,-0.202522355,-0.062554559,0.068425688,0.403720407,0,0,1.02E-15,-0.088955026,-0.213474026,-0.095238095,-0.025641026,0.583333333,0,0,-1.14E-16,-0.088955026,-0.213474026,-0.095238095,-0.025641026,0.583333333,0,0,1.44E-14,-0.088955026,-0.213474026,-0.095238095,-0.025641026,0.583333333,0,0,8.61E-16,-0.088955026,-0.213474026,-0.095238095,-0.025641026,0.583333333,0,0,3.31E-15,-0.088955026,-0.213474026,-0.095238095,-0.025641026,0.583333333,0,0,0.023536896,-0.109291066,-0.125375896,-0.15394402,-0.04795459,0.498727735,0,0,1.13274714,1.329657001,1.21871547,0.946942311,0.607318117,3.02E-05,0,0,1.285714286,1.1875,1.156655844,0.957983193,0.782967033,0,0,0,1.285714286,1.1875,1.156655844,0.957983193,0.782967033,0,0,0,1.285714286,1.1875,1.156655844,0.957983193,0.782967033,0,0,0,1.285714286,1.1875,1.156655844,0.957983193,0.782967033,0,0,0,1.285714286,1.1875,1.156655844,0.957983193,0.782967033,0,0,0,1.270992366,1.075699746,1.033396947,1.209362371,0.828391075,0,0,0,22.33131976,11.16565988,16.59450323,22.33131976,3.190188537,11.16570537,0,0.012010821,0.001715832,-3.095363085,30.70247468,4.386067811,2.397040282,22.33131976,11.16565988,16.59450323,22.33131976,3.190188537,11.16570537,0,0.012010821,0.001715832,-3.095363085,30.70247468,4.386067811,2.397040282,22.33131976,11.16565988,16.59450323,22.33131976,3.190188537,11.16570537,0,0.012010821,0.001715832,-3.095363085,30.70247468,4.386067811,2.397040282,22.33131976,11.16565988,16.59450323,22.33131976,3.190188537,11.16570537,0,0.012010821,0.001715832,-3.095363085,30.70247468,4.386067811,2.397040282,22.33131976,11.16565988,16.59450323,22.33131976,3.190188537,11.16570537,0,0.012010821,0.001715832,-3.095363085,30.70247468,4.386067811,2.397040282,22.33131976,11.16565988,16.59450323,22.33131976,3.190188537,11.16570537,0,0.012010821,0.001715832,-3.095363085,30.70247468,4.386067811,2.397040282,23.399173,11.64403094,17.38784816,23.31980792,3.331401131,11.64405931,-0.111111111,0.144008003,0.020572572,-1.356520485,47.9471755,6.8495965,2.709069926,0,11.9,12.10010405,-0.140785442,0.060055051,5.567746159,8.12075542,7,19,18,18,6,1,1,0,0,1,13.118484,3.683512363,3.005424373,2.459820995,2.265102816,1.487699285,1.19006016,0.332938624,0.083923071,1.80842916,1.724171079,1.379547586,0.757863935,0.716241921,0.534766514,0.083923071,0.083923071,3.702706798,3.041063134,2.510897621,2.321187631,1.576939567,1.30885592,0.463238555,0.270913902,1.759483328,1.655976007,1.284890431,0.62194973,0.593769576,0.383336744,0.270913902,0.270913902,3.78938905,3.200914984,2.734801489,2.562151644,1.947412168,1.778468089,0.957943357,0.943918427,1.625890144,1.452583651,0.990535844,0.201782036,0.172849073,0.136070527,0.943918427,0.943918427,3.71696761,3.067513959,2.548571849,2.362287994,1.641687551,1.39352899,0.555069904,0.399277246,1.729245753,1.612285733,1.223144641,0.531260614,0.513074922,0.28095272,0.399277246,0.399277246,3.832995587,3.280011414,2.841861735,2.674787544,2.112559368,1.978039144,1.207644823,1.207644823,1.587349885,1.38842831,0.894476279,0.069253554,0.016182923,0.3258016,1.155503498,1.207644823,3.73450398,3.170989913,2.545858143,2.448149357,1.779452257,1.501208438,0.702521668,0.6,1.662497911,1.619242426,1.082548481,0.427824154,0.365161005,0.125409777,0.6,0.6,0,0,0,1,1,1,4,0,0,0,0,0.144337567,0.102062073,0.102062073,0,0,0.125,0.072168784,0.072168784,0.204124145,0,0,0,0.144337567,0,0,0,0.49279928,0.594861352,0.204124145,0.348461713,0.420630496,0.144337567,5.112884175,3.431851653,2.558730745,2.052095141,1.418611262,0.49279928,0.204124145,0,0.730412025,0.490264522,0.319841343,0.228010571,0.157623474,0.12319982,0.102062073,0,4.905777394,3.073132185,2.154030206,1.654030206,1.11779928,0.348461713,0.144337567,0,0.700825342,0.439018884,0.269253776,0.183781134,0.12419992,0.087115428,0.072168784,0,10.25096682,18.32702112,17.35294118,17.56,11.79132695,144.9122251,0.53952457,0.964580059,0.913312693,0.924210526,0.620596155,7.626959218,2.43289,31.955,22.87726984,33.16178179,45.75453968,6.536362811,22.87726984,0.106509552,0.01521565,-1.567664427,23.73191568,3.390273668,2.216774557,44,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,3,0,1,0,0,0,0,0,0,0,0,1,0,4,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.923611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,1.067361111,0.870833333,0,0.300694444,0,0,0,0,0,0,0,0,2.139537037,0,5.603518519,0,2.256944444,0,0,0,0,1.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.243402778,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.139537037,0,1.371527778,0,2.256944444,0,0,0,0,1.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.256944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.290277778,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.139537037,0,1.430231481,0,2.256944444,0,0,0,0,1.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.66666667,1.666666667,0.300694444,2.256944444,0.041666667,1.371527778,4.02212037,0.128472222,0.256944444,0.792962963,0.128472222,0.256944444,0.792962963,3.5,0.5,0,0,0.44737,0.7,0.43333,0.43333,0.7,0.01404,0.01404,0,0,0.71429,0,0,0.14286,0.14286,0,4.5,0.64286,3.5,0.5,1,0.14286,-2.5,-0.35714,0,0,5.56011,0.7943,6.53706,0.97695,0.13956,2.85606,0.40801,3.43185,0.57578,0.08225,-0.01785,-0.00255,0.06815,0.00974,0.263157895,7,0,0,0,0,0,0,0.714285714,0.949452015,2.034572366,2.945038698,2.945038698,2.945038698,2.774243303,18.03958829,38.65687495,55.95573525,55.95573525,55.95573525,52.71062276,0.223509467,0.47895647,0.69328836,0.69328836,0.69328836,0.653081601,3.298475498,2.213355148,1.302888816,1.302888816,1.302888816,1.473684211,0.219682511,0.470755719,0.681417792,0.681417792,0.681417792,0.641899458,6.790838447,16.93938967,17.85698043,17.85698043,17.85698043,17.68484856,27.3155423,17.47469193,17.50060573,17.50060573,17.50060573,17.90861771,5.142857143,2.34375,1.185185185,2,2,2,2.23,0.9433,0,1.850535862,0.5,0,5.676240019,3.789291416,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.076,0.353,0.392,3.54,8,9,9,4,2,0,0,0,0,46,2.197224577,2.48490665,2.63905733,2.63905733,2.197224577,1.609437912,0,0,0,0,4.17438727,1.391304348,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,0,2,4,1,1,0.444444444,0.222222222,0.125,0,0,0,0,0,0,0.142857143,0.055555556,0.055555556,0.0625,0,0,0,0,0,0,0.316468254,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,0,114.6354337,3.807354922,3.433987204,4.17438727,4.934473933,5.693732139,6.459904454,7.22329568,7.990576882,8.755107122,9.522446728,72.18791141,2.708050201,0,3.850147602,2.397895273,5.176149733,4.442651256,6.577861358,6.259581464,8.017966703,8.436416881,96.09390038,5.057573704,13.58523637,1.940748052,0,0,0,43,4,2.96,30,1.239457228,2.151698946,2.979603922,3.889938682,4.579829517,5.509673842,0,0,0,0,87.45856707,94.22851111,68.69177131,63.27338926,26.11997219,5.598181242,0,0,0,0,311.4935087,386.2651968,366.0341215,383.5035237,304.2675945,171.2612936,0,0,0,0,9.0538378,15.4077651,20.9842818,27.10519075,31.54200563,37.01654536,0,0,0,0,2.298669515,3.078134483,3.255184148,3.616060495,3.330961727,2.449672091,0,0,0,0,175.3549641,326.0923514,476.4144726,643.9687352,785.3521966,1018.83595,0,0,0,0,2.639310926,3.847187669,4.716610584,5.83666783,5.944091838,5.509673842,0,0,0,0,0.474273664,0.644668247,0.69506632,0.780450716,0.735298044,0.564190601,0,0,0,0,333.8880745,123.4624327,10.10433958,117.5865078,-43.48018817,-7.262850975,216.3015667,166.9426209,17.36719055,0.739550104,0.273464858,0.02238075,0.260449896,-0.096307057,-0.016086954,150.741979,55.74015024,4.56185249,53.0873195,-19.63019979,-3.27899261,0.15384097,0.23761053,3.702765778,10.37934521,451.4745823,0,1,0,457.6819865,21.39350337,7.706454286,577.9032487,24.03961831,8.329489377,710.6616996,26.65823887,8.923891954,1.567999467,1.406748628,340.9473622,276.4462749,91.28005873,1.233322324,3.73517904,3.028550581,3.660589129,3.387704423,6.50664836,0.920665898,4.920225518,5.90497026,1.826471591,7.409141201,12.89954964,4.179194668,6.817005128,5.988206283,3.167199234,2.847746902,0.702074193,1.099814786,2.69E-11,1.40E-43,1.41E-97,2.72E-173,1.02E-270,0,0,0,0,0,0,0,0,0,0,0,0,0,0.412926721,5.900650084,0.149904828,5.238958527,1.38637208,1.023939393,0.616717179,0.320010618,0.14686107,0.140194018,0.005015209,0.007746085,1.89E-13,9.86E-46,9.90E-100,1.92E-175,7.17E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,1.332962497,5.900938876,0.486123463,5.385038135,2.95636206,1.572438613,1.107307003,1.118653014,0.461167162,0.517663966,0.051709256,0.080720183,1.97E-12,1.03E-44,1.03E-98,2.00E-174,7.47E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,4.644291915,5.904495981,1.721709223,7.171250455,11.91874939,3.952227778,6.163251139,5.514428507,2.87538465,2.620012739,0.62558397,0.979915174,2.40E-11,1.25E-43,1.25E-97,2.43E-173,9.07E-271,0,0,0,0,0,0,0,0,0,0,0,0,0,1.964538215,5.901313212,0.718709842,5.573473242,4.265737321,1.977338583,1.674201354,1.773299647,0.766660643,0.828805556,0.112146069,0.175335023,4.29E-12,2.23E-44,2.24E-98,4.34E-174,1.62E-271,0,0,0,0,0,0,0,0,0,0,0,0,0,5.941883449,5.906964512,2.216771302,8.40920146,16.84435675,5.057933287,9.548869059,7.886335518,4.369047437,3.761317316,1.023679462,1.603976503,3.92E-11,2.04E-43,2.05E-97,3.97E-173,1.48E-270,0,0,0,0,0,0,0,0,0,0,0,0,0,2.961581622,5.624819979,1.094137712,5.937489488,6.605067696,2.700816785,2.942812931,3.168519812,1.363762343,1.576913886,0.252911643,0.395933323,9.68E-12,5.04E-44,5.06E-98,9.81E-174,3.66E-271,0,0,0,0,0,0,0,0,0,0,0,0,0,3.779939401,1.412017809,0.49489584,0.664680337,0.248295111,0.527299946,0.529738874,0.357466683,5.686853049,7.906819772,16.23510105,0.497020505,1.414505503,2.737521624,0.814868402,0.139481258,0.741499747,0.220719613,0.277864996,0.179332741,0.028783564,3.691871283,2.726211698,6.729226594,0.612249621,0.485981302,3.130803498,1.041758719,0.27408157,0.70408237,0.234279778,0.362453886,0.291455154,0.110550746,4.446643786,4.405164244,9.745736538,0.556123556,0.764459786,3.751950195,1.396140876,0.485402782,0.666007684,0.247828597,0.519540883,0.518137846,0.344000981,5.633493852,7.737148756,15.91330423,0.499011526,1.381679711,3.314635461,1.147085528,0.336765132,0.690766916,0.239051546,0.405939092,0.352331648,0.166495654,4.798486121,5.304722427,11.38364695,0.536150375,0.924766394,3.868341756,1.462119482,0.524864906,0.660653508,0.249707607,0.552193096,0.567151414,0.401645653,5.855326144,8.453749882,17.27770031,0.490980262,1.520990162,3.763194189,1.396130262,0.486272441,0.666571536,0.247295421,0.52265821,0.518219767,0.345127345,5.645596892,7.762746583,15.96317477,0.499857303,1.386005322 +UMLRON0244,L,ethylidenecyclopentane,CC=C1CCCC1,75068,,UML,[1],C7H12,PubChem,,82.4,0,1.7916,3.20983056,33.3186,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1128.97815,908.097796,655.971627,438.979298,129.199392,12.192768,0,3399.790734,4147.41404,5230.324054,5174.559544,4007.765156,2637.560239,1396.036119,373.0049332,0,146.842108,144.889944,255.179544,322.71592,331.339116,207.588872,124.924032,80.621568,0,25.74688067,32.32302034,44.11934665,47.22155854,39.0771832,25.38520679,14.69234634,5.335354858,0,3476.407621,2904.481805,5640.598507,7447.046097,8192.95574,5081.536821,3010.566693,2219.011824,0,41.27777778,45.91666667,63.16666667,76.83333333,70.33333333,50.66666667,34,12,0,48.76541633,51.7541979,31.36050417,19.74125643,13.66607556,14.63264327,7.177744,1.016064,0,161.8947969,207.370702,145.2867793,112.4904249,83.49510741,87.91867463,77.55756218,31.08374443,0,6.992481333,7.2444972,7.088320667,7.015563478,6.90289825,6.919629067,6.940224,6.718464,0,1.226041937,1.616151017,1.225537407,1.02655562,0.814107983,0.84617356,0.816241463,0.444612905,0,165.54322,145.2240902,156.6832919,161.8923065,170.6865779,169.3845607,167.2537052,184.917652,0,1.965608466,2.295833333,1.75462963,1.670289855,1.465277778,1.688888889,1.888888889,1,0,0.048614112,-0.008700041,-0.014862665,-0.011615173,0.011549405,0.001092174,-0.016595794,0.014825037,0,564.9747087,-53.80711511,-121.066009,-269.0355756,121.066009,40.35533633,-161.4213453,161.4213453,0,1050.594596,-100.0566282,-225.1274134,-500.283141,225.1274134,75.04247115,-300.1698846,300.1698846,0,0.110674667,-0.010540444,-0.023716,-0.052702222,0.023716,0.007905333,-0.031621333,0.031621333,0,4.696646663,-0.447299682,-1.006424285,-2.236498411,1.006424285,0.335474762,-1.341899046,1.341899046,0,25.51225921,-2.429738973,-5.466912688,-12.14869486,5.466912688,1.822304229,-7.289216918,7.289216918,0,5.701058201,-1.333018393,-0.146258503,-2.07797934,1.101284958,1.702191988,-3.188208617,1.091458806,0,0.002314958,-4.35E-04,-4.13E-04,-2.53E-04,2.41E-04,3.64E-05,-9.22E-04,0.00123542,0,26.90355756,-2.690355756,-3.362944694,-5.848599469,2.522208521,1.345177878,-8.967852519,13.45177878,0,50.0283141,-5.00283141,-6.253539262,-10.87572046,4.690154447,2.501415705,-16.6761047,25.01415705,0,0.005270222,-5.27E-04,-6.59E-04,-0.0011457,4.94E-04,2.64E-04,-0.001756741,0.002635111,0,0.223649841,-0.022364984,-0.02795623,-0.048619531,0.020967173,0.011182492,-0.074549947,0.111824921,0,1.214869486,-0.121486949,-0.151858686,-0.264102062,0.113894014,0.060743474,-0.404956495,0.607434743,0,0.271478962,-0.06665092,-0.004062736,-0.045173464,0.022943437,0.056739733,-0.177122701,0.0909549,0,-0.187909282,-0.178340968,-0.109074891,0.103938226,0.015726338,-0.398274459,0.533668395,0,-0.1,-0.125,-0.217391304,0.09375,0.05,-0.333333333,0.5,0,-0.1,-0.125,-0.217391304,0.09375,0.05,-0.333333333,0.5,0,-0.1,-0.125,-0.217391304,0.09375,0.05,-0.333333333,0.5,0,-0.1,-0.125,-0.217391304,0.09375,0.05,-0.333333333,0.5,0,-0.1,-0.125,-0.217391304,0.09375,0.05,-0.333333333,0.5,0,-0.245510441,-0.014965197,-0.16639766,0.084512761,0.20900232,-0.652436195,0.335034803,0,1.481441121,1.113287401,0.985567125,0.611971507,1.03906695,1.788735893,0.184404708,0,1.5,1.25,1.211180124,0.714285714,0.785714286,1.19047619,0,0,1.5,1.25,1.211180124,0.714285714,0.785714286,1.19047619,0,0,1.5,1.25,1.211180124,0.714285714,0.785714286,1.19047619,0,0,1.5,1.25,1.211180124,0.714285714,0.785714286,1.19047619,0,0,1.5,1.25,1.211180124,0.714285714,0.785714286,1.19047619,0,0,1.603016241,0.751160093,0.988247755,0.653712297,0.831554524,2.728538283,0,0,28.8318408,14.4159204,22.99572531,28.8318408,4.1188344,14.41592203,5.33E-15,0.004596284,6.57E-04,-3.767754927,27.30702869,3.901004098,2.315000891,28.8318408,14.4159204,22.99572531,28.8318408,4.1188344,14.41592203,5.33E-15,0.004596284,6.57E-04,-3.767754927,27.30702869,3.901004098,2.315000891,28.8318408,14.4159204,22.99572531,28.8318408,4.1188344,14.41592203,5.33E-15,0.004596284,6.57E-04,-3.767754927,27.30702869,3.901004098,2.315000891,28.8318408,14.4159204,22.99572531,28.8318408,4.1188344,14.41592203,5.33E-15,0.004596284,6.57E-04,-3.767754927,27.30702869,3.901004098,2.315000891,28.8318408,14.4159204,22.99572531,28.8318408,4.1188344,14.41592203,5.33E-15,0.004596284,6.57E-04,-3.767754927,27.30702869,3.901004098,2.315000891,28.8318408,14.4159204,22.99572531,28.8318408,4.1188344,14.41592203,5.33E-15,0.004596284,6.57E-04,-3.767754927,27.30702869,3.901004098,2.315000891,42.14051198,20.84009726,34.04653151,41.81171379,5.973101971,20.84009726,-0.46031746,0.054493426,0.007784775,-2.036772641,81.66712991,11.66673284,3.081856116,0,11.79,12.21004853,-0.306943849,0.113277173,5.124354143,7.527014309,6,20,19,19,5,1,1,0,0,1,15.304898,3.511226078,3.17815254,2.502088448,2.333552793,1.677874242,1.015006016,0.896816804,0.083923071,1.904201349,1.6454847,1.249629723,1.231382495,0.763969108,0.385956623,0.34663143,0.083923071,3.537288356,3.208963088,2.554193602,2.405454588,1.763317894,1.133260358,1.026852155,0.270913902,1.845884547,1.576555513,1.134540686,1.132557369,0.629753567,0.228859662,0.184781385,0.270913902,3.652665697,3.346285496,2.780430765,2.704236987,2.12037713,1.605401227,1.534042242,0.943918427,1.675845741,1.373967718,0.824629917,0.76031856,0.1873097,0.309713935,0.376347145,0.943918427,3.556530951,3.231775521,2.592501456,2.457539916,1.825430717,1.217909366,1.119088318,0.399277246,1.80887708,1.532624684,1.068063193,1.058262671,0.540284741,0.122704544,0.075018613,0.399277246,3.709296644,3.413920675,2.887519361,2.838982085,2.280978429,1.807406359,1.746688137,1.207644823,1.623314239,1.31125671,0.723786145,0.631337262,0.033240315,0.506710004,0.584946739,1.207644823,3.578882583,3.312890162,2.645054716,2.539329401,1.858686995,1.283366644,1.191743762,0.525,1.875843426,1.457098672,0.964329401,0.945970083,0.474060471,0.063858688,0.046206478,0.525,0,0,1,1,0,2,2,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.204124145,0.288675135,0.166666667,0.11785113,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,5.276020882,2.87944541,2.259872254,0.948141081,0.451184464,0.23570226,0,0,0.753717269,0.479907568,0.376645376,0.23703527,0.150394821,0.11785113,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,5,1,0,2,0,0,0,0,0,0,0,0,2,1,2,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.604861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.382708333,0.324097222,0,0,1.193194444,0.290277778,0,0.706805556,0,0,0,0,0,0,0,0,4.451388889,3.632638889,2.445601852,0,1.972222222,0,0.831481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.972222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.382708333,0.324097222,0,0,0.216944444,0.290277778,0,0.324097222,0,0,0,0,0,0,0,0,2.225694444,3.632638889,1.164351852,0,1.972222222,0,0.831481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.632638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.382708333,0.324097222,0,0,0.290277778,0.290277778,0,0.382708333,0,0,0,0,0,0,0,0,2.225694444,3.632638889,1.28125,0,1.972222222,0,0.831481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.904761905,0.382708333,3.632638889,0.216944444,0.831481481,5.162561111,0.501851852,0.632638889,2.168055556,0.501851852,0.632638889,2.168055556,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.76528,0.82361,7.02591,1.26063,0.18009,2.70517,0.38645,3.27005,0.56488,0.0807,0.14395,0.02056,0.14395,0.02056,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.258572884,3.272804327,3.272804327,3.272804327,2.854488382,19.28421252,47.43003057,68.72889087,68.72889087,68.72889087,59.94425603,0.209068641,0.51420985,0.745120175,0.745120175,0.745120175,0.64988208,3.474021589,2.133744538,1.119513095,1.119513095,1.119513095,1.53782904,0.209068641,0.51420985,0.745120175,0.745120175,0.745120175,0.64988208,6.73287657,17.32307969,18.34524753,18.34524753,18.34524753,13.32545619,27.64912502,16.73002464,15.60677914,15.60677914,15.60677914,13.09688347,7,4.166666667,6,7,2,6,2.23,1.0519,0.814325285,3.639717277,1.889881575,0,2.381101578,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.126,0.12,0.128,0.152,2.932,6,4,3,2,0,0,0,0,0,28,2.079441542,2.079441542,1.791759469,1.609437912,1.609437912,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,0,126.9918924,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,98.10955045,4.671883355,12.67036528,1.810052182,0,0,0,52,4,3.896,24,1.2236,2.129805771,2.90320683,3.525824063,4.552293614,5.738814291,6.52823228,0,0,0,73.7959167,75.34723427,65.53211699,60.1447077,79.75571867,43.44959456,6.633101803,0,0,0,278.2003652,333.6774204,348.5169226,332.9019736,445.8457672,462.1180758,202.9219038,0,0,0,8.897867644,15.15092507,20.41112829,24.44323811,31.63611931,39.90991728,43.85969355,0,0,0,2.110244062,2.757551346,3.109479509,3.118721633,4.155033289,4.820435855,2.902536317,0,0,0,175.6104775,329.820158,466.9705002,594.0132533,760.8327059,953.3652666,1207.185385,0,0,0,2.871720833,3.874587783,4.973170761,5.47840528,8.233662975,11.13145997,6.52823228,0,0,0,0.43759575,0.581389068,0.664519283,0.673569051,0.896074366,1.054366968,0.668490985,0,0,0,375.2784268,167.9524201,12.00918231,141.0472018,-63.12438232,-9.76167714,234.231225,231.0768024,21.77085945,0.7268251,0.325283912,0.023258931,0.2731749,-0.122256922,-0.018906048,193.7658696,86.7181389,6.200648606,72.82628513,-32.59273638,-5.040204086,0.126535804,0.229320633,2.611682677,5.956967169,516.3256286,0,1,0,393.1393776,19.82774263,7.32569526,529.3948196,23.00858143,8.089590956,609.0868159,24.67968427,8.476691927,1.789790272,1.789790272,499.1080606,451.9033891,75.96234525,1.104457441,6.570466709,5.949044723,4.063535081,4.466160583,7.717755953,0.728051603,4.149594424,4.863397538,3.333269437,16.50992002,6.317316331,4.080911794,5.548119764,10.2135394,3.544765911,3.725408709,1.273631101,2.097021497,1.603892999,0.017469281,6.94E-04,5.32E-27,7.87E-72,2.25E-138,1.24E-226,0,0,0,0,0,0,0,0,0,0,0,0.348257413,4.863167153,0.205800507,6.153933963,0.54389457,0.176453188,0.439703913,0.330510888,1.695926027,0.135318353,0.099487625,0.089595978,0.074438967,1.23E-04,4.89E-06,3.75E-29,5.55E-74,1.58E-140,8.71E-229,0,0,0,0,0,0,0,0,0,0,0,1.124191339,4.863183026,0.713068779,7.380494728,0.940378803,0.671866435,1.293698522,1.399192727,2.002303174,0.5523052,0.301149179,0.345892392,0.279942268,0.001282148,5.09E-05,3.91E-28,5.78E-73,1.65E-139,9.07E-228,0,0,0,0,0,0,0,0,0,0,0,3.916879296,4.863372414,3.095423953,15.5620307,5.687227932,3.735198161,5.168615549,9.272904767,3.4064601,3.393896772,1.188305557,1.919838597,1.472517222,0.015564815,6.18E-04,4.74E-27,7.01E-72,2.00E-138,1.10E-226,0,0,0,0,0,0,0,0,0,0,0,1.656845653,4.863203173,1.100223246,8.485952959,1.444743075,1.101494472,1.935980448,2.414484607,2.233705964,0.932329212,0.450868329,0.56739787,0.45269257,0.002784995,1.11E-04,8.48E-28,1.26E-72,3.58E-139,1.97E-227,0,0,0,0,0,0,0,0,0,0,0,5.011233796,4.863503078,4.266569845,20.37594115,8.96435816,5.48206711,7.029066127,14.07733772,4.08537327,5.079708284,1.604819334,2.814691954,2.133173501,0.025477303,0.001011965,7.76E-27,1.15E-71,3.28E-138,1.80E-226,0,0,0,0,0,0,0,0,0,0,0,2.28124299,3.447539503,1.497780426,8.952399171,2.038510543,1.510018192,3.017143174,3.648034555,2.711096597,1.685349913,0.728168894,0.845975295,0.713069388,0.004814972,1.91E-04,1.47E-27,2.17E-72,6.19E-139,3.41E-227,0,0,0,0,0,0,0,0,0,0,0,5.079413303,1.190441397,0.499803971,0.750320444,0.175849545,0.477890624,0.478812508,0.387114028,6.769658671,9.180442144,18.97228741,0.625480667,1.34381716,4.494378878,0.628754745,0.146756833,0.852841044,0.119310781,0.374876155,0.135674875,0.033068672,5.269890456,3.577716912,9.262321934,0.779261566,0.543619703,4.726451713,0.851207759,0.287890238,0.805798595,0.145119861,0.414223998,0.246713262,0.128329886,5.86554971,5.628946084,12.65273361,0.708697892,0.789267146,5.064901007,1.176488014,0.491139614,0.752302928,0.174746827,0.475181552,0.467784901,0.373849337,6.732528635,9.024188722,18.68331779,0.628454392,1.316815791,4.830017052,0.950688374,0.350354131,0.787794835,0.155061024,0.432425488,0.306957622,0.190291096,6.131059557,6.617135083,14.35696512,0.681692253,0.929674206,5.124856698,1.234133499,0.526912702,0.744253408,0.179226097,0.486424609,0.514157428,0.430078824,6.885902898,9.67539003,19.8938879,0.616380112,1.430660862,5.10925525,1.17587767,0.490273636,0.754088365,0.173550865,0.483538919,0.46727616,0.372519721,6.775406556,9.089294131,18.81019564,0.631132547,1.3233348 +UMLRON0245,L,5-Methyl-1-Hexene,CC(C)CCC=C,77058,,"Sandia, UML",[1],C7H14,PubChem,,75.5,0,0.399,0.159201,32.5422,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1323.6122,1631.364849,1131.100829,812.342836,472.25237,109.049472,8.128512,0,3823.307636,4994.447843,7096.043224,6472.99861,4546.018674,2888.518855,1290.897864,248.6699554,0,154.382624,159.970976,300.351492,413.273012,345.997264,208.786376,137.562624,53.747712,0,28.53578067,37.90082034,57.8334738,59.35940183,42.97962751,27.39200101,14.24370934,3.556903239,0,3603.201977,3158.070517,6384.963905,9602.081652,8472.872644,4986.151509,3443.992206,1479.341216,0,40.02777778,46.08333333,71.41666667,87.16666667,72.66666667,52,30,8,0,53.10626655,60.16419091,38.84202021,19.17120049,16.24685672,15.74174567,5.4524736,1.016064,0,173.7867107,227.0203565,168.9534101,109.7118408,90.92037348,96.28396182,64.54489321,31.08374443,0,7.017392,7.271408,7.151226,7.004627322,6.91994528,6.959545867,6.8781312,6.718464,0,1.297080939,1.722764561,1.376987471,1.006091556,0.85959255,0.9130667,0.712185467,0.444612905,0,163.781908,143.5486599,152.0229501,162.7471466,169.4574529,166.2050503,172.1996103,184.917652,0,1.819444444,2.09469697,1.700396825,1.47740113,1.453333333,1.733333333,1.5,1,0,0.049191036,-0.004881374,-0.021563587,-0.008314317,0.014111615,-0.010529294,-0.004707359,0.011288799,0,616.3360458,5.47E-13,-219.1194708,-299.1631131,184.1003773,-70.03818702,-32.01745693,128.0698277,0,1146.103196,7.11E-14,-407.4620128,-556.3065836,342.342513,-130.2389995,-59.53782835,238.1513134,0,0.120736,1.75E-15,-0.042924,-0.058604,0.036064,-0.01372,-0.006272,0.025088,0,5.123614541,1.08E-14,-1.82154478,-2.486949266,1.530430317,-0.582228925,-0.266161794,1.064647177,0,27.8315555,-2.75E-14,-9.894660155,-13.50914788,8.313321774,-3.162676762,-1.445795091,5.783180365,0,4.814393939,-0.09469697,-1.157024793,-0.579258494,1.300619835,-1.193870523,-1.245408632,0.562442608,0,0.002235956,-2.22E-04,-5.13E-04,-1.41E-04,2.82E-04,-3.51E-04,-2.35E-04,0.0014111,0,28.01527481,2.49E-14,-5.217130258,-5.07056124,3.682007546,-2.334606234,-1.600872846,16.00872846,0,52.0955998,3.23E-15,-9.701476494,-9.428925146,6.84685026,-4.341299984,-2.976891417,29.76891417,0,0.005488,7.96E-17,-0.001022,-9.93E-04,7.21E-04,-4.57E-04,-3.14E-04,0.003136,0,0.23289157,4.92E-16,-0.043370114,-0.042151682,0.030608606,-0.019407631,-0.01330809,0.133080897,0,1.265070705,-1.25E-15,-0.235587147,-0.228968608,0.166266435,-0.105422559,-0.072289755,0.722897546,0,0.218836088,-0.004304408,-0.027548209,-0.009817941,0.026012397,-0.039795684,-0.062270432,0.070305326,0,-0.099232996,-0.229619324,-0.063024771,0.126224432,-0.156969302,-0.105265016,0.631094594,0,8.88E-16,-0.18622449,-0.180992736,0.131428571,-0.083333333,-0.057142857,0.571428571,0,6.20E-17,-0.18622449,-0.180992736,0.131428571,-0.083333333,-0.057142857,0.571428571,0,1.45E-14,-0.18622449,-0.180992736,0.131428571,-0.083333333,-0.057142857,0.571428571,0,2.11E-15,-0.18622449,-0.180992736,0.131428571,-0.083333333,-0.057142857,0.571428571,0,-9.89E-16,-0.18622449,-0.180992736,0.131428571,-0.083333333,-0.057142857,0.571428571,0,-0.019669552,-0.12588513,-0.044864358,0.118867034,-0.18185156,-0.284552846,0.321269342,0,1.315186281,1.169182123,0.818899021,0.706214528,1.411047013,1.289571324,0.151455894,0,1.3125,1.325892857,1.118644068,0.70125,0.9625,0.825,0,0,1.3125,1.325892857,1.118644068,0.70125,0.9625,0.825,0,0,1.3125,1.325892857,1.118644068,0.70125,0.9625,0.825,0,0,1.3125,1.325892857,1.118644068,0.70125,0.9625,0.825,0,0,1.3125,1.325892857,1.118644068,0.70125,0.9625,0.825,0,0,1.283241542,0.800550747,0.696182107,0.685790716,1.890165224,1.853815893,0,0,32.52478503,16.26239252,25.35579446,32.52478503,4.065598129,16.26239283,1.42E-14,0.082732117,0.010341515,-1.993717914,44.83580716,5.604475895,3.04240567,32.52478503,16.26239252,25.35579446,32.52478503,4.065598129,16.26239283,1.42E-14,0.082732117,0.010341515,-1.993717914,44.83580716,5.604475895,3.04240567,32.52478503,16.26239252,25.35579446,32.52478503,4.065598129,16.26239283,1.42E-14,0.082732117,0.010341515,-1.993717914,44.83580716,5.604475895,3.04240567,32.52478503,16.26239252,25.35579446,32.52478503,4.065598129,16.26239283,1.42E-14,0.082732117,0.010341515,-1.993717914,44.83580716,5.604475895,3.04240567,32.52478503,16.26239252,25.35579446,32.52478503,4.065598129,16.26239283,1.42E-14,0.082732117,0.010341515,-1.993717914,44.83580716,5.604475895,3.04240567,32.52478503,16.26239252,25.35579446,32.52478503,4.065598129,16.26239283,1.42E-14,0.082732117,0.010341515,-1.993717914,44.83580716,5.604475895,3.04240567,42.64679479,21.04567156,33.22618248,42.39592673,5.299490841,21.04567156,-0.501736111,0.001260075,1.58E-04,-5.341267441,83.88695733,10.48586967,3.543576117,0,11.9,12.10012615,-0.151369992,0.048771545,5.291496289,8.476005233,8,22,21,21,7,1,1,0,0,1,15.304898,3.662218115,3.225846208,2.553522539,2.459820995,1.886670148,1.19006016,1.026700296,0.843440736,1.855634373,1.724171079,1.517171096,1.003122568,0.757863935,0.614075904,0.38311908,0.321736599,3.685276435,3.253892541,2.59619932,2.510897621,1.959761661,1.30885592,1.14299574,0.977305787,1.802602734,1.655976007,1.446969171,0.88920511,0.62194973,0.468509025,0.225290522,0.157371509,3.786873652,3.378890799,2.787551796,2.734801489,2.272916149,1.778468089,1.610144964,1.497057007,1.649506061,1.452583651,1.242411596,0.52927419,0.172849073,0.018403269,0.31761894,0.415245832,3.702270703,3.274651959,2.627902611,2.548571849,2.013350184,1.39352899,1.22645299,1.072105334,1.769091053,1.612285733,1.402370428,0.814416762,0.531260614,0.370931979,0.118533178,0.045726907,3.836554821,3.440584462,2.881570433,2.841861735,2.417544908,1.978039144,1.810922199,1.713934906,1.602639243,1.38842831,1.179745805,0.410138071,0.016182923,0.190415773,0.517285623,0.629578931,3.711444867,3.473730257,2.677150086,2.517084881,2.08657615,1.476397775,1.390409689,1.187268894,1.798758859,1.648648631,1.223794154,0.643981364,0.45326776,0.270993745,0.027666595,0.118221342,0,0,1,1,0,0,5,1,0,0,0,0.144337567,0.102062073,0.072168784,0,0,0.144337567,0.102062073,0.058925565,0.204124145,0,0,0,0.204124145,0,0,0,0.433012702,0.65464793,0.348461713,0.406526265,0.556186218,0.23570226,5.819990956,3.931851653,2.939157589,2.171668296,1.707286396,0.696923425,0.348461713,0.144337567,0.72749887,0.491481457,0.326573065,0.21716683,0.155207854,0.116153904,0.087115428,0.072168784,5.397341225,3.541241452,2.674859849,1.974744871,1.481767492,0.537457479,0.23570226,0.083333333,0.674667653,0.442655182,0.29720665,0.197474487,0.134706136,0.089576246,0.058925565,0.041666667,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.67889,36.502,28.3399353,42.00992493,56.67987059,7.084983824,28.3399353,0.132422925,0.016552866,-1.6174036,28.94593476,3.618241845,2.692343817,64,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,6,1,0,2,0,0,0,0,0,0,0,0,0,1,5,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.775740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.372708333,0.308472222,0,0,1.418819444,0.290277778,0,0.681180556,0,0,0,0,0,0,0,0,0,3.724166667,7.064537037,0,2.051574074,0,0.993055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.051574074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.372708333,0.308472222,0,0,0.216944444,0.290277778,0,0.308472222,0,0,0,0,0,0,0,0,0,3.724166667,1.25,0,2.051574074,0,0.993055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.724166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.372708333,0.308472222,0,0,0.290277778,0.290277778,0,0.372708333,0,0,0,0,0,0,0,0,0,3.724166667,1.456851852,0,2.051574074,0,0.993055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.83333333,1.729166667,0.372708333,3.724166667,0.216944444,0.993055556,5.585881204,0.340277778,0.724166667,1.551481481,0.340277778,0.724166667,1.551481481,4,0.5,0,0,0.44545,0.7,0.43333,0.43333,0.7,0.01212,0.01212,0,0,0.71429,0,0,0.125,0.125,0,5,0.625,4,0.5,1,0.125,-3,-0.375,0,0,6.59802,0.82475,7.89328,1.29526,0.16191,3.36697,0.42087,3.93185,0.56488,0.07061,-0.01785,-0.00223,0.06815,0.00852,0.227272727,8,0,0,0,0,0,0,0.75,0.945660305,2.149948196,3.004886164,3.368522528,3.277613437,3.277613437,20.8045267,47.2988603,66.10749561,74.10749561,72.10749561,72.10749561,0.212058483,0.482112605,0.673827165,0.755370374,0.734984571,0.734984571,3.513771314,2.309483423,1.454545455,1.090909091,1.181818182,1.181818182,0.209052139,0.475277716,0.664274347,0.744661521,0.724564728,0.724564728,6.786633838,15.99465439,18.85485954,19.22134137,18.13043228,18.13043228,31.28312609,22.27281892,18.32168256,17.65341839,18.99492654,18.99492654,6.125,3.111111111,1.8,3,2,3,2.34,1.0842,0,1.969259364,0.333333333,0,7.383136998,4.242640687,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.112,0.12,0.278,0.36,3.787,9,10,11,6,4,2,0,0,0,58,2.302585093,2.397895273,2.48490665,2.63905733,2.197224577,1.945910149,1.609437912,0,0,0,4.248495242,1.189655172,0.4,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,2,0.25,0,3,5,0.666666667,1,0.444444444,0.222222222,0.125,0.08,0,0,0,0,0,0.125,0.049382716,0.044444444,0.03125,0.04,0,0,0,0,0,0.29007716,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,0,131.9314183,4,3.555348061,4.290459441,5.056245805,5.814130532,6.588926478,7.353081921,8.129469765,8.896040502,9.672374832,75.35607734,2.833213344,0,3.970291914,2.397895273,5.283203729,4.442651256,6.680854679,6.259581464,8.12474302,8.529319371,110.1095504,5.004979566,15.59010547,1.948763183,0,0,0,67,5,4.125,34,1.340021709,2.41350245,3.233077098,3.993336318,5.217096557,6.247772257,7.571309665,0,0,0,99.9300888,104.5512648,71.24753346,79.90470072,96.30506326,37.69825355,7.692935184,0,0,0,349.3264646,437.8101234,380.2785719,410.9495863,547.9487087,430.6590884,235.3446546,0,0,0,9.805629928,17.32426794,22.70085869,27.76216526,36.43271103,43.10372949,50.86757142,0,0,0,2.553319293,3.504206498,3.406128452,3.739945859,5.057659329,4.668655472,3.366301984,0,0,0,188.5116474,362.2991139,522.3180137,667.1652446,857.8793252,1065.450679,1400.068806,0,0,0,2.871998287,4.175396642,4.85900156,6.116539186,9.442848529,9.763329023,7.571309665,0,0,0,0.525871984,0.734133318,0.728536705,0.803836657,1.087789128,1.028714876,0.77530211,0,0,0,313.7791326,147.0685216,10.94937795,81.8922884,-38.38297876,-6.084736434,231.8868442,185.4515003,17.03411439,0.793029559,0.371693566,0.027672906,0.206970441,-0.097007205,-0.015378256,124.1534353,58.19081092,4.332355934,32.40243812,-15.18704775,-2.407556311,0.120841565,0.218949556,2.240194338,5.56361996,395.671421,0,1,0,423.0736634,20.56875454,7.507096474,559.3291054,23.65013965,8.23927768,675.4014319,25.98848653,8.773791824,1.48472677,1.48472677,658.4559569,607.024828,108.2880557,1.084726566,6.080596358,5.605648972,4.476373959,4.57798827,8.976997812,0.960904503,4.149594424,3.613625303,3.113942626,12.96496409,10.28484916,9.059633236,6.130198732,12.28042333,3.382755525,3.638054029,4.464258667,3.625981442,1.803096583,0.530913911,1.431733632,0.103842129,0.94846531,1.32E-12,3.55E-46,1.84E-101,1.83E-178,3.53E-277,0,0,0,0,0,0,0,0,0.348257413,3.613414091,0.801241431,5.203619297,0.723407955,1.85843348,0.317832374,1.06557227,0.184588428,1.048450496,1.697941603,0.124633666,0.427320766,0.015089191,0.12015108,7.31E-04,0.006680119,9.30E-15,2.50E-48,1.29E-103,1.29E-180,2.49E-279,0,0,0,0,0,0,0,0,1.124191339,3.613428684,1.168843267,6.500402135,1.7220732,2.815878031,1.069102413,2.469034114,0.656605715,1.436229773,2.192525004,0.520722238,0.542374426,0.068126093,0.387865234,0.007621433,0.069611988,9.69E-14,2.60E-47,1.35E-102,1.35E-179,2.59E-278,0,0,0,0,0,0,0,0,3.916879296,3.613602283,2.935402767,12.38812166,9.362354584,8.437484677,5.620425396,11.28051683,3.123006108,3.429705024,4.270114422,3.298917367,1.660228102,0.480849785,1.351436726,0.09252147,0.845065516,1.18E-12,3.16E-46,1.64E-101,1.63E-178,3.15E-277,0,0,0,0,0,0,0,0,1.656845653,3.613447169,1.452209645,7.475959613,2.690599547,3.625297792,1.714033116,3.695457753,1.034313097,1.744238685,2.55284947,0.887226873,0.670576151,0.120049535,0.571644926,0.016554763,0.151206539,2.10E-13,5.65E-47,2.93E-102,2.92E-179,5.63E-278,0,0,0,0,0,0,0,0,5.011233796,3.613721991,3.816958335,15.21622291,14.08323988,11.56901761,8.192452285,16.33840259,4.417112385,4.466038188,5.211237212,4.964930859,2.398660651,0.737267964,1.729040067,0.151443976,1.383247517,1.93E-12,5.17E-46,2.68E-101,2.67E-178,5.15E-277,0,0,0,0,0,0,0,0,2.488252073,2.904059566,1.836649737,8.126609894,4.108535224,4.345587339,2.586763029,5.939250227,1.480402356,3.014772723,4.166522754,1.707242154,1.133913425,0.273293258,0.951857387,0.034729635,0.317210637,4.42E-13,1.19E-46,6.14E-102,6.13E-179,1.18E-277,0,0,0,0,0,0,0,0,5.982173212,1.231032251,0.778290034,0.748567426,0.154042789,0.463791944,0.346078566,0.424846593,7.991495497,12.97821408,26.70123053,0.622851139,1.234717103,5.260856028,0.725403205,0.258420961,0.842454035,0.116163388,0.358413881,0.117960879,0.048080551,6.244680195,5.363216692,12.59409377,0.763681053,0.524455312,5.535461064,0.917033326,0.457369047,0.801095581,0.132713669,0.396916203,0.189343612,0.149305543,6.909863437,8.027373483,17.25893472,0.701643371,0.735565358,5.963068102,1.217544189,0.764634719,0.750520166,0.15324183,0.460824064,0.338269093,0.410408763,7.94524701,12.75084438,26.24756802,0.625780248,1.20950192,5.662758115,1.006221277,0.549166471,0.784516997,0.139401627,0.415437617,0.228679364,0.214271242,7.218145864,9.360367581,19.70765724,0.676775495,0.858388223,6.042427438,1.273606092,0.821315408,0.742554791,0.156513639,0.473215243,0.371393686,0.471863421,8.137348937,13.70444346,28.1623667,0.613832186,1.316472349,6.019859594,1.214735085,0.764875906,0.75253225,0.151851935,0.469644972,0.336822296,0.410483087,7.999470584,12.84610181,26.43875396,0.628798374,1.216950354 +UMLRON0246,L,allylcyclopentane,C=CCC1CCCC1,77059,,UML,[1],C8H14,PubChem,,52.1,0,0.3366,0.11329956,27.6768,20.321516,0,0,19,7,12,0,7,0,0,0,0,0,0,0,0,0,1022.041615,1155.133903,1437.656312,923.253076,480.380882,109.049472,8.128512,0,0,3337.623245,4341.457709,6182.496113,5382.547393,3137.18881,1290.897864,248.6699554,0,0,133.40518,138.195196,257.621984,349.988944,262.534088,137.562624,53.747712,0,0,24.85765486,32.88483172,50.14578365,49.66894156,30.94890425,14.24370934,3.556903239,0,0,3106.572317,2725.031065,5460.761706,8154.921601,6465.492725,3443.992206,1479.341216,0,0,35.77777778,40.75,62.41666667,77,60,30,8,0,0,53.79166395,60.79652121,39.93489756,18.46506152,12.64160216,5.4524736,1.016064,0,0,175.6643813,228.4977741,171.7360031,107.6509479,82.55760027,64.54489321,31.08374443,0,0,7.021325263,7.273431368,7.156166222,6.99977888,6.908791789,6.8781312,6.718464,0,0,1.308297624,1.730780617,1.392938435,0.993378831,0.814444849,0.712185467,0.444612905,0,0,163.5038062,143.4226876,151.6878252,163.098432,170.1445454,172.1996103,184.917652,0,0,1.883040936,2.144736842,1.733796296,1.54,1.578947368,1.5,1,0,0,0.044475773,-0.006452118,-0.015629742,-0.003505805,-0.003472291,-0.004472427,0.011294498,0,0,535.2391977,5.47E-13,-179.4191546,-255.2111713,63.71895211,-28.17048409,131.4622591,0,0,995.3001436,-1.14E-13,-333.6375795,-474.576071,118.4881123,-52.38421809,244.4596844,0,0,0.104849684,1.51E-15,-0.035146981,-0.049994116,0.012482105,-0.005518404,0.025752554,0,0,4.449454733,3.83E-15,-1.491515214,-2.121575847,0.529696992,-0.234181828,1.092848531,0,0,24.16950873,7.99E-14,-8.101934317,-11.52443367,2.877322468,-1.272079407,5.936370565,0,0,4.614035088,-0.23245614,-1.056709757,0.202831641,-0.619883041,-1.231148046,0.630347799,0,0,0.00234083,-3.40E-04,-4.34E-04,-7.01E-05,-9.14E-05,-2.24E-04,0.001411812,0,0,28.17048409,2.88E-14,-4.983865406,-5.104223427,1.676814529,-1.408524204,16.43278239,0,0,52.38421809,-5.98E-15,-9.267710541,-9.49152142,3.118108219,-2.619210904,30.55746055,0,0,0.005518404,7.95E-17,-9.76E-04,-1.00E-03,3.28E-04,-2.76E-04,0.003219069,0,0,0.234181828,2.02E-16,-0.041430978,-0.042431517,0.013939395,-0.011709091,0.136606066,0,0,1.272079407,4.21E-15,-0.225053731,-0.230488673,0.075719012,-0.06360397,0.742046321,0,0,0.242843952,-0.012234534,-0.029353049,0.004056633,-0.016312712,-0.061557402,0.078793475,0,0,-0.145070405,-0.185472448,-0.029953523,-0.039035763,-0.095530798,0.603124613,0,0,1.02E-15,-0.176917989,-0.181190476,0.05952381,-0.05,0.583333333,0,0,-1.14E-16,-0.176917989,-0.181190476,0.05952381,-0.05,0.583333333,0,0,1.44E-14,-0.176917989,-0.181190476,0.05952381,-0.05,0.583333333,0,0,8.61E-16,-0.176917989,-0.181190476,0.05952381,-0.05,0.583333333,0,0,3.31E-15,-0.176917989,-0.181190476,0.05952381,-0.05,0.583333333,0,0,-0.050380228,-0.12087206,0.016704689,-0.067173638,-0.253485425,0.324461343,0,0,1.33245062,1.085728473,0.841339943,1.027352626,1.217110675,0.143575346,0,0,1.285714286,1.300595238,1.099285714,0.75,0.814285714,0,0,0,1.285714286,1.300595238,1.099285714,0.75,0.814285714,0,0,0,1.285714286,1.300595238,1.099285714,0.75,0.814285714,0,0,0,1.285714286,1.300595238,1.099285714,0.75,0.814285714,0,0,0,1.285714286,1.300595238,1.099285714,0.75,0.814285714,0,0,0,1.294676806,0.779626109,0.689201521,1.33460076,1.657984791,0,0,0,23.27665866,11.63832933,17.73944786,23.27665866,3.325236951,11.6383582,1.78E-15,0.022398577,0.003199797,-2.659130503,31.4430322,4.491861743,2.413724185,23.27665866,11.63832933,17.73944786,23.27665866,3.325236951,11.6383582,1.78E-15,0.022398577,0.003199797,-2.659130503,31.4430322,4.491861743,2.413724185,23.27665866,11.63832933,17.73944786,23.27665866,3.325236951,11.6383582,1.78E-15,0.022398577,0.003199797,-2.659130503,31.4430322,4.491861743,2.413724185,23.27665866,11.63832933,17.73944786,23.27665866,3.325236951,11.6383582,1.78E-15,0.022398577,0.003199797,-2.659130503,31.4430322,4.491861743,2.413724185,23.27665866,11.63832933,17.73944786,23.27665866,3.325236951,11.6383582,1.78E-15,0.022398577,0.003199797,-2.659130503,31.4430322,4.491861743,2.413724185,23.27665866,11.63832933,17.73944786,23.27665866,3.325236951,11.6383582,1.78E-15,0.022398577,0.003199797,-2.659130503,31.4430322,4.491861743,2.413724185,30.95636411,15.23284583,23.40047382,30.74718043,4.392454348,15.23284658,-0.488095238,0.05939218,0.008484597,-1.9765149,28.47401388,4.067716268,2.344294314,0,11.9,12.10010405,-0.149682251,0.050498337,5.424496404,8.246004522,7,19,18,18,6,1,1,0,0,1,13.118484,3.65943775,3.062931799,2.459820995,2.276023046,1.252896619,1.19006016,0.775783793,0.083923071,1.816609684,1.724171079,1.359962127,0.757863935,0.673187849,0.480104826,0.27759317,0.083923071,3.6817759,3.093514313,2.510897621,2.327441441,1.356403366,1.30885592,0.911808362,0.270913902,1.764897389,1.655976007,1.2774331,0.62194973,0.536658724,0.326176078,0.11120858,0.270913902,3.780650548,3.229890323,2.734801489,2.556886468,1.780114764,1.778468089,1.440122043,0.943918427,1.617267415,1.452583651,1.031676803,0.172849073,0.090430226,0.202310649,0.468991783,0.943918427,3.698264013,3.116159632,2.548571849,2.365617407,1.431183072,1.39352899,1.008172626,0.399277246,1.732365443,1.612285733,1.22451373,0.531260614,0.445868815,0.222114728,0.001852194,0.399277246,3.829256076,3.297145086,2.841861735,2.668295565,1.978039144,1.965727632,1.660407845,1.207644823,1.572602879,1.38842831,0.954967524,0.016182923,0.062619991,0.396041538,0.686300785,1.207644823,3.716362572,3.327386356,2.502834505,2.388100927,1.5833016,1.464109918,1.127455658,0.567567568,1.742966149,1.663224988,0.98486971,0.465881597,0.35024952,0.079651004,0.150264406,0.567567568,0,0,1,1,0,0,4,1,0,0,0,0.144337567,0.102062073,0.102062073,0,0,0.144337567,0.083333333,0.058925565,0.204124145,0,0,0,0.166666667,0,0,0,0.49279928,0.594861352,0.204124145,0.353553391,0.416666667,0.11785113,5.112884175,3.431851653,2.558730745,2.052095141,1.418611262,0.49279928,0.204124145,0,0.730412025,0.490264522,0.319841343,0.228010571,0.157623474,0.12319982,0.102062073,0,4.690234444,3.058078205,2.280238966,1.733163248,1.193092357,0.333333333,0.11785113,0,0.670033492,0.436868315,0.285029871,0.192573694,0.132565817,0.083333333,0.058925565,0,10.25096682,18.32702112,17.35294118,17.56,11.79132695,144.9122251,0.53952457,0.964580059,0.913312693,0.924210526,0.620596155,7.626959218,2.28879,31.885,22.87726984,33.16178179,45.75453968,6.536362811,22.87726984,0.106509552,0.01521565,-1.567664427,23.73191568,3.390273668,2.216774557,44,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,5,1,0,2,0,0,0,0,0,0,0,0,0,1,4,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.832962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.370972222,0.300694444,0,0,1.228333333,0.290277778,0,0.671666667,0,0,0,0,0,0,0,0,0,3.742685185,5.639259259,0,2.090277778,0,0.861111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.090277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.370972222,0.300694444,0,0,0.225625,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,0,3.742685185,1.392361111,0,2.090277778,0,0.861111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.742685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.370972222,0.300694444,0,0,0.290277778,0.290277778,0,0.370972222,0,0,0,0,0,0,0,0,0,3.742685185,1.427268519,0,2.090277778,0,0.861111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.33333333,1.761904762,0.370972222,3.742685185,0.225625,0.861111111,4.859546852,0.472222222,0.742685185,1.665925926,0.472222222,0.742685185,1.665925926,3.5,0.5,0,0,0.44737,0.7,0.43333,0.43333,0.7,0.01404,0.01404,0,0,0.71429,0,0,0.14286,0.14286,0,4.5,0.64286,3.5,0.5,1,0.14286,-2.5,-0.35714,0,0,5.28429,0.7549,6.53706,1.25276,0.17897,2.89384,0.41341,3.43185,0.53801,0.07686,-0.01785,-0.00255,0.06815,0.00974,0.263157895,7,0,0,0,0,0,0,0.714285714,0.949452015,2.075074223,2.668980145,3.090032777,2.984769619,3.090032777,18.03958829,39.42641024,50.71062276,58.71062276,56.71062276,58.71062276,0.223509467,0.488490968,0.628301716,0.727421258,0.702641373,0.727421258,3.298475498,2.17285329,1.578947368,1.157894737,1.263157895,1.157894737,0.219682511,0.480126966,0.617543857,0.714966262,0.690610661,0.714966262,6.790838447,14.66606636,17.57876171,18.00310909,16.7399512,18.00310909,27.3155423,21.23940132,17.56411273,17.1465506,18.56629429,17.1465506,5.142857143,2.34375,1.185185185,2,2,2,2.23,0.9433,0,1.850535862,0.5,0,5.676240019,3.789291416,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.112,0.12,0.278,0.36,3.288,8,9,9,4,2,0,0,0,0,46,2.197224577,2.302585093,2.48490665,2.48490665,1.945910149,1.609437912,0,0,0,0,4.043051268,1.217391304,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,1,0.142857143,0,2,4,1,1,0.444444444,0.222222222,0.125,0,0,0,0,0,0,0.142857143,0.055555556,0.055555556,0.0625,0,0,0,0,0,0,0.316468254,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,0,114.6354337,3.807354922,3.433987204,4.17438727,4.934473933,5.693732139,6.459904454,7.22329568,7.990576882,8.755107122,9.522446728,72.18791141,2.708050201,0,3.850147602,2.397895273,5.176149733,4.442651256,6.577861358,6.259581464,8.017966703,8.436416881,96.09390038,5.057573704,13.58523637,1.940748052,0,0,0,43,4,3.552,30,1.354288295,2.455621176,3.278372091,4.073059705,5.192731087,6.384067799,0,0,0,0,102.7261747,108.9714026,69.3889608,62.65577099,31.40588214,6.486621464,0,0,0,0,357.0927512,452.174673,378.0069417,373.6253577,358.4902805,198.4407319,0,0,0,0,9.915568617,17.63905951,23.00392985,28.24666694,35.82759086,42.89112968,0,0,0,0,2.602462111,3.604300186,3.409172496,3.561999774,3.884714368,2.838438929,0,0,0,0,190.1735604,367.7665751,530.6785087,685.0071937,885.3204314,1180.526828,0,0,0,0,2.963155911,4.337557339,5.182546375,6.767621572,8.125897941,6.384067799,0,0,0,0,0.535697692,0.754541774,0.730002111,0.771028429,0.855912361,0.653728543,0,0,0,0,289.4891236,119.2974001,10.26010898,77.99265562,-32.14048571,-5.629461154,211.496468,151.4378858,15.88957013,0.787764564,0.324634871,0.027920048,0.212235436,-0.08746144,-0.015319021,106.3819782,43.83962085,3.770403104,28.66087986,-11.81104288,-2.068724401,0.138091716,0.248406677,2.685232138,6.077778792,367.4817793,0,1,0,360.9920943,18.99979195,7.120315381,477.8734641,21.86031711,7.818155517,561.3050807,23.69187795,8.248968739,1.312537622,1.002890701,430.885055,379.1359522,101.2601115,1.136492207,4.255229911,3.744178697,4.081982338,4.3842948,7.758756593,0.769670368,3.591793317,2.665107996,2.513193645,11.16927597,7.368219772,9.128033712,5.132418878,6.820059892,3.478178888,2.296070445,0.463508421,0.782758515,1.728459382,0.001236473,0.002968086,1.37E-24,1.23E-67,2.11E-132,7.02E-219,0,0,0,0,0,0,0,0,0,0,0,0.301445031,2.664938889,0.766351903,4.02949324,0.778615621,2.307895778,0.231828381,0.395949036,0.280507863,0.100565991,0.280097176,0.005727226,0.020350505,8.71E-06,2.09E-05,9.68E-27,8.64E-70,1.49E-134,4.95E-221,0,0,0,0,0,0,0,0,0,0,0,0.973075264,2.664950589,1.045984319,5.064967267,1.466080596,3.216705783,0.812906713,1.161121947,0.753504573,0.38534404,0.299413837,0.05800035,0.147866982,9.08E-05,2.18E-04,1.01E-25,9.01E-69,1.55E-133,5.15E-220,0,0,0,0,0,0,0,0,0,0,0,3.390360553,2.665089571,2.379036111,10.58292657,6.732166978,8.539525187,4.684096195,6.233579469,3.21884215,2.103867911,0.445869335,0.697571229,1.545656419,0.001101675,0.002644511,1.22E-24,1.09E-67,1.88E-132,6.26E-219,0,0,0,0,0,0,0,0,0,0,0,1.434128364,2.664965396,1.260786867,5.901060897,2.133262875,3.984084721,1.336278816,1.848545002,1.131563421,0.629343538,0.318054763,0.125457431,0.301065563,1.97E-04,4.73E-04,2.19E-25,1.96E-68,3.37E-133,1.12E-219,0,0,0,0,0,0,0,0,0,0,0,4.337608177,2.66518538,3.040821619,13.50973402,9.987384438,11.50115603,6.960753169,9.210898099,4.510573702,3.07333217,0.536096977,1.14088109,2.494125033,0.00180328,0.004328674,2.00E-24,1.79E-67,3.08E-132,1.02E-218,0,0,0,0,0,0,0,0,0,0,0,2.127113163,2.078776257,1.472107771,6.467776756,3.035220515,5.36515387,2.096416571,2.868651684,1.668968434,1.407611731,0.46971766,0.2530341,0.624305311,3.98E-04,9.56E-04,4.43E-25,3.95E-68,6.81E-133,2.26E-219,0,0,0,0,0,0,0,0,0,0,0,4.435929688,1.293041101,0.798713604,0.679556397,0.198085726,0.444281607,0.34315179,0.436459325,6.527684393,10.31164631,21.42062367,0.519334596,1.223892722,3.695538025,0.796740153,0.25765476,0.77801899,0.167737137,0.308670355,0.129259824,0.045334095,4.749932939,4.101840389,9.610407759,0.667028484,0.483264274,3.975568541,0.984334158,0.462616795,0.733158921,0.181527085,0.357063118,0.19777627,0.146343425,5.422519495,6.207822204,13.44069441,0.599738381,0.701182813,4.416117436,1.27974642,0.784271535,0.681485366,0.197487605,0.440331686,0.336038474,0.42082742,6.480135391,10.11861437,21.03106856,0.522228048,1.197197581,4.106143299,1.071852202,0.55805479,0.715848553,0.186862414,0.38083294,0.234825966,0.213031331,5.736050291,7.290783928,15.4829331,0.573772829,0.828690237,4.498486819,1.3350249,0.844301009,0.673646747,0.199919488,0.456869455,0.366127636,0.487656703,6.677812727,10.93083174,22.67917178,0.51047012,1.310653794,4.457556681,1.275557722,0.784290062,0.683946609,0.195715599,0.448652733,0.333911355,0.420723669,6.517404465,10.18229549,21.15907195,0.525919913,1.203287757 +UMLRON0247,L,vinylcyclopentane,C=CC1CCCC1,77345,,UML,[1],C7H12,PubChem,,69.3,0,0.2644,0.06990736,36.6628,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,1985.508851,1424.714262,1178.679606,910.129924,270.591552,24.385536,0,4371.159516,5876.91121,8672.178832,8397.689886,6495.159214,5236.727032,3165.077171,746.0098663,0,188.796996,195.98202,384.613004,533.098968,510.880344,336.152848,330.469632,161.243136,0,33.10313229,45.14389758,71.20205987,77.28928517,61.68356844,48.11078435,34.72004754,10.67070972,0,4469.666941,3897.355064,8328.753616,12306.01719,12635.67418,7816.881401,8240.145211,4438.023649,0,40.80555556,49.75,84.69444444,109.8333333,94.33333333,72.33333333,62,24,0,48.76541633,56.15943233,36.76868243,18.74624029,15.92810278,18.96104008,5.637324,1.016064,0,161.8947969,217.6633782,160.5959043,110.4959196,87.77242182,109.0984798,65.93910774,31.08374443,0,6.992481333,7.258593333,7.122463037,7.014460105,6.903788432,7.003184333,6.884784,6.718464,0,1.226041937,1.671996207,1.318556664,1.016964279,0.833561736,1.002308007,0.723334324,0.444612905,0,165.54322,144.3464838,154.2361781,161.9212788,170.7523538,162.8516959,171.6696919,184.917652,0,1.511316872,1.842592593,1.568415638,1.445175439,1.274774775,1.506944444,1.291666667,1,0,0.036407027,-0.002758385,-0.006035972,-0.025114431,0.019990065,-0.009056288,-0.009903326,0.014674825,0,726.396054,7.32E-13,-121.066009,-511.1675936,349.7462482,-242.132018,-161.4213453,322.8426907,0,1350.764481,-5.26E-13,-225.1274134,-950.5379679,650.3680833,-450.2548269,-300.1698846,600.3397692,0,0.142296,2.04E-15,-0.023716,-0.100134222,0.068512889,-0.047432,-0.031621333,0.063242667,0,6.038545709,1.67E-14,-1.006424285,-4.24934698,2.907447934,-2.01284857,-1.341899046,2.683798093,0,32.80147613,-2.00E-13,-5.466912688,-23.08252024,15.79330332,-10.93382538,-7.289216918,14.57843384,0,2.483539095,-0.882716049,0.505144033,-1.904282884,1.598613016,-0.516003658,-0.921353452,0.878829447,0,0.001348408,-1.02E-04,-1.12E-04,-3.30E-04,2.70E-04,-1.89E-04,-2.06E-04,6.11E-04,0,26.90355756,2.71E-14,-2.24196313,-6.725889389,4.726300652,-5.044417042,-3.362944694,13.45177878,0,50.0283141,-1.95E-14,-4.169026175,-12.50707852,8.788757882,-9.380308893,-6.253539262,25.01415705,0,0.005270222,7.55E-17,-4.39E-04,-0.001317556,9.26E-04,-9.88E-04,-6.59E-04,0.002635111,0,0.223649841,6.19E-16,-0.018637487,-0.05591246,0.039289837,-0.041934345,-0.02795623,0.111824921,0,1.214869486,-7.40E-15,-0.101239124,-0.303717372,0.213423018,-0.227788029,-0.151858686,0.607434743,0,0.091982929,-0.032693187,0.009354519,-0.025056354,0.021602879,-0.010750076,-0.019194864,0.036617894,0,-0.075765194,-0.082895704,-0.245068956,0.200336941,-0.139922497,-0.153009502,0.453461299,0,1.01E-15,-0.083333333,-0.25,0.175675676,-0.1875,-0.125,0.5,0,-3.89E-16,-0.083333333,-0.25,0.175675676,-0.1875,-0.125,0.5,0,1.43E-14,-0.083333333,-0.25,0.175675676,-0.1875,-0.125,0.5,0,2.77E-15,-0.083333333,-0.25,0.175675676,-0.1875,-0.125,0.5,0,-6.09E-15,-0.083333333,-0.25,0.175675676,-0.1875,-0.125,0.5,0,-0.355426678,0.101698426,-0.272402215,0.234857476,-0.11687034,-0.208678542,0.398094449,0,1.520873574,1.204527356,1.254919335,0.594218109,1.211968415,0.985019798,0.003770525,0,1.444444444,1.283950617,1.254385965,0.644144144,1.173611111,0.902777778,0,0,1.444444444,1.283950617,1.254385965,0.644144144,1.173611111,0.902777778,0,0,1.444444444,1.283950617,1.254385965,0.644144144,1.173611111,0.902777778,0,0,1.444444444,1.283950617,1.254385965,0.644144144,1.173611111,0.902777778,0,0,1.444444444,1.283950617,1.254385965,0.644144144,1.173611111,0.902777778,0,0,1.884838442,0.786246893,1.281831858,0.471573479,1.411609362,1.199565037,0,0,42.54613705,21.27306852,32.79597792,42.54613705,4.727348561,21.27306852,-3.55E-15,0.093140969,0.010348997,-2.136277025,38.51270303,4.279189226,3.285889322,42.54613705,21.27306852,32.79597792,42.54613705,4.727348561,21.27306852,-3.55E-15,0.093140969,0.010348997,-2.136277025,38.51270303,4.279189226,3.285889322,42.54613705,21.27306852,32.79597792,42.54613705,4.727348561,21.27306852,-3.55E-15,0.093140969,0.010348997,-2.136277025,38.51270303,4.279189226,3.285889322,42.54613705,21.27306852,32.79597792,42.54613705,4.727348561,21.27306852,-3.55E-15,0.093140969,0.010348997,-2.136277025,38.51270303,4.279189226,3.285889322,42.54613705,21.27306852,32.79597792,42.54613705,4.727348561,21.27306852,-3.55E-15,0.093140969,0.010348997,-2.136277025,38.51270303,4.279189226,3.285889322,42.54613705,21.27306852,32.79597792,42.54613705,4.727348561,21.27306852,-3.55E-15,0.093140969,0.010348997,-2.136277025,38.51270303,4.279189226,3.285889322,49.29554506,24.55672315,38.46880322,49.15391269,5.461545854,24.55672315,-0.182098765,0.068573383,0.007619265,-2.411865745,38.04029622,4.22669958,3.274781422,0,11.9,12.1001487,-0.151263352,0.048902479,5.88775,8.706006619,9,27,27,27,9,0,0,0,0,0,19.677726,3.67035156,3.30735289,2.611741372,2.459820995,2.333552793,1.939940647,1.19006016,1.087918023,1.909060306,1.724171079,1.631849751,1.249629723,1.076025404,0.757863935,0.618639605,0.409822876,3.693698125,3.339057099,2.656976232,2.510897621,2.405454588,2.012147868,1.30885592,1.200733612,1.852785695,1.655976007,1.5595295,1.134540686,0.964271368,0.62194973,0.474034522,0.254727255,3.796434422,3.478864239,2.857330602,2.734801489,2.704236987,2.319165248,1.778468089,1.654314269,1.689896758,1.452583651,1.343933251,0.76031856,0.608628977,0.172849073,0.008059292,0.277043866,3.710897652,3.362446215,2.690448623,2.548571849,2.457539916,2.064919952,1.39352899,1.281677891,1.817184625,1.612285733,1.5131701,1.058262671,0.8907424,0.531260614,0.377211026,0.149949692,3.846599067,3.546955627,2.954366278,2.841861735,2.838982085,2.460286319,1.978039144,1.84990392,1.639911954,1.38842831,1.276253248,0.631337262,0.489570447,0.016182923,0.177663259,0.472006011,3.697578615,3.443376398,2.744909458,2.713878329,2.592723429,2.153470112,1.541619699,1.406653016,1.792684284,1.571418394,1.425091662,0.807995976,0.755921785,0.386454146,0.224821534,0.017706976,0,0,0,0,0,2,5,2,0,0,0,0.144337567,0.102062073,0.058925565,0,0,0.144337567,0.102062073,0.058925565,0.612372436,0,0,0,0.612372436,0,0,0,0.642228525,1.041888478,0.804737854,0.642228525,1.041888478,0.804737854,6.690234444,4.2876937,3.780031565,2.279482726,1.912731898,0.842195333,0.451184464,0.23570226,0.743359383,0.476410411,0.343639233,0.207225702,0.147133223,0.105274417,0.075197411,0.058925565,6.690234444,4.2876937,3.780031565,2.279482726,1.912731898,0.842195333,0.451184464,0.23570226,0.743359383,0.476410411,0.343639233,0.207225702,0.147133223,0.105274417,0.075197411,0.058925565,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.2227,41.413,33.05508271,49.43288838,66.11016543,7.345573936,33.05508271,0.206757651,0.022973072,-1.418587145,37.16847483,4.129830536,3.253914856,73,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,4.663333333,0,7.491203704,0,0,0,2.01212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.331666667,0,1.472222222,0,0,0,0.924166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.331666667,0,1.512083333,0,0,0,1.087962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.16666667,1.574074074,0.2,2.331666667,0.2,0.924166667,6.480475278,0.409166667,0.331666667,1.375,0.409166667,0.331666667,1.375,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.22222,0.22222,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,9.78701,1.08745,9.78701,0,0,4.28768,0.47641,4.28768,0,0,0.12632,0.01404,0.21232,0.02359,0.185185185,9,0,0,0,0,0,0,1,0.918295834,1.396802669,2.653811356,3.291562502,3.06934028,2.671011113,24.79398752,37.71367206,71.65290661,88.87218755,82.87218755,72.11730005,0.193126721,0.293761455,0.558122848,0.692248239,0.645512702,0.561740128,3.836591668,3.358084833,2.101076146,1.463325,1.685547222,2.083876389,0.193126721,0.293761455,0.558122848,0.692248239,0.645512702,0.561740128,6.73287657,12.47495859,17.65405709,18.29679866,15.63013199,15.22868589,35.54887502,27.21134672,21.93972837,20.24973705,24.5939315,25.81286808,7.111111111,3.239669421,2.380165289,4,0,3,2.45,1.2681,0.5,2.626527804,2.309401077,0,5.676240019,5.296119205,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,4.165,11,11,13,8,6,4,0,0,0,71,2.302585093,2.48490665,2.48490665,2.63905733,2.197224577,1.945910149,1.609437912,0,0,0,4.276666119,1,0.4,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.222222222,4,0.444444444,0,3,5,0.666666667,2,0.444444444,0.472222222,0.195,0.16,0,0,0,0,0,0.222222222,0.04040404,0.078703704,0.0325,0.04,0,0,0,0,0,0.413829966,21.27306852,32.79597792,42.54613705,4.727348561,21.27306852,0.093140969,0.010348997,-2.136277025,38.51270303,4.279189226,3.285889322,0,151.8638616,4.169925001,3.713572067,4.442651256,5.241747015,5.993961427,6.796823718,7.557472902,8.359134887,9.124237673,9.924025204,79.15362615,2.944438979,0,4.143134726,2.397895273,5.484796933,4.442651256,6.898714534,6.259581464,8.35678967,8.731336361,126.1408506,4.671883355,17.42409916,1.936011018,0,0,0,93,6,4.999,40,1.322351022,2.339037584,3.150613129,3.811669306,4.940278107,5.798721669,6.945614187,0,0,0,92.70728943,97.30782746,66.89938648,74.65708778,109.9581225,36.25218978,7.057188533,0,0,0,330.9230363,408.1136673,369.9443443,377.7530868,588.780594,409.235456,215.8956963,0,0,0,9.657429115,16.73405923,22.14699247,26.42642609,34.72382141,40.0511762,46.66385887,0,0,0,2.444790845,3.282923086,3.335467438,3.451147277,5.265679318,4.409304136,3.0881097,0,0,0,187.2021646,355.406357,506.7950286,642.6354128,795.2657159,985.2507986,1284.366667,0,0,0,2.513764036,3.781262599,4.605972979,5.034814005,7.687749235,7.722404396,6.945614187,0,0,0,0.50452745,0.688658123,0.713883624,0.742784589,1.125760175,0.970452217,0.711230893,0,0,0,346.5640082,160.8669974,8.837475207,57.23654566,-26.56788074,-3.152150801,289.3274625,187.4348781,11.98962601,0.858255406,0.39838231,0.021885743,0.141744594,-0.065794562,-0.007806207,139.9427384,64.95818263,3.568577383,23.11214884,-10.72812496,-1.272840239,0.064385198,0.134746272,0.400237423,1.165336849,403.8005538,0,1,0,464.5052698,21.55238432,7.744562373,638.8719193,25.2759158,8.612672499,802.5872019,28.32997003,9.293174172,1.615043136,1.615043136,790.637744,759.4826016,157.1101082,1.041021535,5.03237986,4.834078536,4.762210675,4.466160583,8.815691854,0.973886001,5.020209962,5.389914525,3.295831559,20.39309653,10.74939108,11.62121789,10.0219942,17.29506887,4.960071667,4.24596437,7.381171185,3.212167916,5.24900185,1.375891238,1.749204771,0.008954776,0.033814538,4.60E-21,1.22E-61,6.24E-124,6.16E-208,1.1712971325E-313,0,0,0,0,0,0,0,0,0.421311435,5.389573913,0.789967776,7.5972547,1.226368458,2.011295536,0.615946731,1.550964878,0.268295089,1.182148061,1.315075753,0.302430969,0.356434469,0.028838934,0.031591635,6.33E-05,2.38E-04,3.24E-23,8.59E-64,4.40E-126,4.34E-210,8.24954146E-316,0,0,0,0,0,0,0,0,1.360044669,5.389597382,1.149937399,9.624412094,2.23363015,3.081108448,1.93943612,3.571386862,0.947231357,1.650225387,2.223430413,0.651254739,0.909354177,0.150176727,0.177894824,6.58E-04,0.002481796,3.38E-22,8.96E-63,4.58E-125,4.52E-209,8.59665826E-315,0,0,0,0,0,0,0,0,4.738668689,5.389877379,3.088817868,19.40288025,9.835063853,10.71742413,9.235145926,15.90908129,4.574230056,4.002747638,6.89311395,2.947322135,4.791788108,1.239078473,1.571779765,0.007978672,0.030128145,4.10E-21,1.09E-61,5.56E-124,5.49E-208,1.04360465755E-313,0,0,0,0,0,0,0,0,2.004455605,5.389627168,1.442037831,11.1896155,3.203176757,4.08028856,3.025078966,5.312654319,1.496068056,2.018255254,2.944931081,0.96349121,1.421270882,0.279085554,0.338987762,0.001428169,0.005390792,7.34E-22,1.95E-62,9.95E-125,9.81E-209,1.8673090483E-314,0,0,0,0,0,0,0,0,6.062630571,5.390070557,4.123176243,24.29430031,14.51093881,15.32576461,13.17493289,22.90607073,6.500638744,5.209675228,9.320726103,4.29122961,7.120908547,1.944154478,2.488191362,0.013059095,0.049315326,6.71E-21,1.78E-61,9.10E-124,8.98E-208,1.7082267874E-313,0,0,0,0,0,0,0,0,3.339395028,4.932180527,1.90200019,14.73641694,5.493018891,6.199734384,5.275747846,9.332644307,2.618903631,3.058338574,4.680303631,1.698102399,2.779305338,0.628831755,0.784718083,0.003615108,0.013647501,1.86E-21,4.93E-62,2.52E-124,2.48E-208,4.727339015E-314,0,0,0,0,0,0,0,0,6.384276738,1.294949896,1.019212759,0.73395657,0.14887152,0.535364336,0.482310654,0.479220672,8.698439393,16.09408426,33.21868015,0.600934854,1.496895662,5.536773183,0.746188266,0.499224714,0.81636998,0.110021791,0.402486393,0.150757368,0.113282517,6.782186163,7.268084813,16.11280549,0.72455497,0.666526278,5.873228812,0.962486592,0.707544342,0.778606201,0.127595579,0.452949048,0.256912881,0.230643515,7.543259747,10.48947574,22.03241572,0.667909301,0.940505445,6.363280849,1.281207735,1.006509777,0.735554509,0.148099408,0.531841198,0.471454193,0.46751686,8.650998362,15.84693715,32.70369231,0.603331763,1.470812251,6.023264402,1.059631002,0.799606164,0.764131076,0.134428264,0.476423082,0.314813356,0.295366327,7.882501568,12.04596452,25.03190261,0.646196613,1.086602765,6.450013555,1.338017578,1.058933461,0.729065148,0.1512403,0.546471155,0.517205377,0.516620162,8.846964594,16.87723828,34.8630438,0.593597723,1.580296693,6.378826668,1.285163485,1.009787189,0.735415081,0.148166529,0.534449613,0.476025533,0.470145139,8.673777342,15.93683418,32.88868039,0.603122622,1.480620285 +UMLRON0248,L,Isobutylcyclopentane,CC(C)CC1CCCC1,77414,,"Sandia, UML",[1],C9H18,PubChem,,33.4,0,2.2846,5.21939716,31.8504,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1649.56345,1109.768356,333.2448,36.578304,0,0,0,3399.790734,4570.930941,6475.043557,6742.478727,4059.196059,1119.0148,0,0,0,146.842108,152.43046,276.627304,343.337872,452.998656,241.864704,0,0,0,25.74688067,35.11192034,51.48567672,60.15154964,45.39880544,16.00606457,0,0,0,3476.407621,3031.276161,6121.833801,7244.569524,11441.48253,6657.035473,0,0,0,35.375,42.3125,63,89,90,36,0,0,0,48.76541633,56.15943233,42.29649872,23.12017408,5.049163636,1.016064,0,0,0,161.8947969,217.6633782,166.0267579,140.4683068,61.50297059,31.08374443,0,0,0,6.992481333,7.258593333,7.093007795,7.152872333,6.863616,6.718464,0,0,0,1.226041937,1.671996207,1.320145557,1.253157284,0.687860689,0.444612905,0,0,0,165.54322,144.3464838,156.9700975,150.9285317,173.3557959,184.917652,0,0,0,1.68452381,2.014880952,1.615384615,1.854166667,1.363636364,1,0,0,0,0.025674808,-0.008814655,0.019788171,-0.035774146,-0.007944426,0.019907652,0,0,0,564.9747087,4.90E-13,282.4873543,-968.528072,-80.71067267,484.264036,0,0,0,1050.594596,-5.68E-14,525.297298,-1801.019308,-150.0849423,900.5096538,0,0,0,0.110674667,1.59E-15,0.055337333,-0.189728,-0.015810667,0.094864,0,0,0,4.696646663,7.33E-15,2.348323331,-8.051394279,-0.670949523,4.025697139,0,0,0,25.51225921,2.26E-14,12.75612961,-43.73530151,-3.644608459,21.86765075,0,0,0,3.18452381,-2.258928571,2.68707483,-2.088435374,-1.972789116,2.040816327,0,0,0,0.00122261,-4.20E-04,5.07E-04,-7.45E-04,-1.20E-04,5.53E-04,0,0,0,26.90355756,2.33E-14,7.243265496,-20.17766817,-1.22288898,13.45177878,0,0,0,50.0283141,-2.71E-15,13.46916149,-37.52123557,-2.274014277,25.01415705,0,0,0,0.005270222,7.57E-17,0.001418906,-0.003952667,-2.40E-04,0.002635111,0,0,0,0.223649841,3.49E-16,0.060213419,-0.167737381,-0.010165902,0.111824921,0,0,0,1.214869486,1.08E-15,0.327080246,-0.911152115,-0.05522134,0.607434743,0,0,0,0.151643991,-0.107568027,0.068899355,-0.04350907,-0.029890744,0.056689342,0,0,0,-0.343319235,0.415004817,-0.609593218,-0.098453388,0.45230317,0,0,0,8.68E-16,0.269230769,-0.75,-0.045454545,0.5,0,0,0,-5.41E-17,0.269230769,-0.75,-0.045454545,0.5,0,0,0,1.44E-14,0.269230769,-0.75,-0.045454545,0.5,0,0,0,1.56E-15,0.269230769,-0.75,-0.045454545,0.5,0,0,0,8.88E-16,0.269230769,-0.75,-0.045454545,0.5,0,0,0,-0.709345794,0.454349389,-0.286915888,-0.1971113,0.373831776,0,0,0,1.777780449,0.510731536,1.843186809,0.973865361,0,0,0,0,1.428571429,0.879120879,1.964285714,0.779220779,0,0,0,0,1.428571429,0.879120879,1.964285714,0.779220779,0,0,0,0,1.428571429,0.879120879,1.964285714,0.779220779,0,0,0,0,1.428571429,0.879120879,1.964285714,0.779220779,0,0,0,0,1.428571429,0.879120879,1.964285714,0.779220779,0,0,0,0,2.224299065,0.342199856,1.553738318,1.141886151,0,0,0,0,23.09054275,11.54527138,16.10682419,23.09054275,3.298648965,11.54529609,3.55E-15,1.11E-16,1.59E-17,-25.7157604,2000015.319,285716.4741,10.15606578,23.09054275,11.54527138,16.10682419,23.09054275,3.298648965,11.54529609,3.55E-15,1.11E-16,1.59E-17,-25.7157604,2000015.319,285716.4741,10.15606578,23.09054275,11.54527138,16.10682419,23.09054275,3.298648965,11.54529609,3.55E-15,1.11E-16,1.59E-17,-25.7157604,2000015.319,285716.4741,10.15606578,23.09054275,11.54527138,16.10682419,23.09054275,3.298648965,11.54529609,3.55E-15,1.11E-16,1.59E-17,-25.7157604,2000015.319,285716.4741,10.15606578,23.09054275,11.54527138,16.10682419,23.09054275,3.298648965,11.54529609,3.55E-15,1.11E-16,1.59E-17,-25.7157604,2000015.319,285716.4741,10.15606578,23.09054275,11.54527138,16.10682419,23.09054275,3.298648965,11.54529609,3.55E-15,1.11E-16,1.59E-17,-25.7157604,2000015.319,285716.4741,10.15606578,32.34597464,16.01584446,23.37185894,32.12148484,4.588783549,16.01584468,-0.314285714,6.66E-16,9.52E-17,-24.46152877,2000013.568,285716.224,10.15606517,0,11.89,12.11009426,-0.155286716,0.066851017,6.185439617,8.517906142,7,21,21,21,7,0,0,0,0,0,15.304898,3.84323467,2.811343844,2.333552793,2.333552793,2.186424417,0.826919852,0.083923071,0.083923071,1.761317652,1.631370952,1.249629723,1.249629723,1.057361847,0.033896879,0.083923071,0.083923071,3.858333379,2.858824545,2.405454588,2.405454588,2.255594213,0.927600459,0.270913902,0.270913902,1.699434879,1.556161807,1.134540686,1.134540686,0.94353844,0.111524236,0.270913902,0.270913902,3.927115266,3.066011697,2.704236987,2.704236987,2.546604864,1.326264019,0.943918427,0.943918427,1.525672888,1.335153762,0.76031856,0.76031856,0.576993532,0.403579617,0.943918427,0.943918427,3.869577972,2.893781183,2.457539916,2.457539916,2.305936366,0.999588442,0.399277246,0.399277246,1.660674591,1.508196398,1.058262671,1.058262671,0.868351891,0.166170653,0.399277246,0.399277246,3.962179982,3.164794217,2.838982085,2.838982085,2.679267088,1.493154729,1.207644823,1.207644823,1.474671104,1.267051166,0.631337262,0.631337262,0.452260987,0.51752171,1.207644823,1.207644823,3.788739335,3.011493707,2.631436576,2.631436576,2.381763414,1.010565642,0.583333333,0.583333333,1.6412727,1.462316012,0.881436576,0.881436576,0.781252379,0.10894566,0.583333333,0.583333333,0,0,0,0,0,4,1,0,2,0.176776695,0.707106781,0.707106781,0,0.176776695,0.176776695,0.707106781,0.707106781,0,0.176776695,1.914213562,0.353553391,0.957106781,0.353553391,1.914213562,0.353553391,0.957106781,0.353553391,3.121320344,1.414213562,0.176776695,3.121320344,1.414213562,0.176776695,5.707106781,2.957106781,3.944543648,2.414213562,0.707106781,0,0,0,0.815300969,0.422443826,0.303426434,0.201184464,0.176776695,0,0,0,5.707106781,2.957106781,3.944543648,2.414213562,0.707106781,0,0,0,0.815300969,0.422443826,0.303426434,0.201184464,0.176776695,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.4425,32.179,15.72337305,23.18747466,31.44674609,4.492392299,15.72337339,5.55E-16,7.93E-17,-24.58915386,2000013.605,285716.2293,10.15606518,32,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,4,0,1,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,9.305555556,0,1.402777778,0,0,0,0,0,0,0,0,0,1.291666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.326388889,0,1.402777778,0,0,0,0,0,0,0,0,0,0.645833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.326388889,0,1.402777778,0,0,0,0,0,0,0,0,0,0.645833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,1.714285714,0.2,2.326388889,0,0.645833333,5.012597222,0.604166667,0.326388889,2.611111111,0.604166667,0.326388889,2.611111111,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.57143,0,0.28571,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,7.70465,1.10066,7.70465,0,0,2.95711,0.42244,2.95711,0,0,0.45689,0.06527,0.54289,0.07756,0.142857143,7,0,0,0,0,0,0,1,0.918295834,1.377890332,1.772338851,1.772338851,1.772338851,1.240103029,19.28421252,28.93569697,37.21911587,37.21911587,37.21911587,26.0421636,0.209068641,0.313704635,0.403508827,0.403508827,0.403508827,0.282334565,3.474021589,3.014427091,2.619978572,2.619978572,2.619978572,3.152214394,0.209068641,0.313704635,0.403508827,0.403508827,0.403508827,0.282334565,6.73287657,12.24801054,12.64554564,12.64554564,12.64554564,6.258715768,27.64912502,21.52784026,22.25049399,22.25049399,22.25049399,17.11861195,5.142857143,0.887573964,0.568047337,0,0,0,2.23,0.9863,2.289428485,2,0,5.656854249,0,0,2,0,0,1,0,0,0,0,0,0,0,0,0,0.003,0.173,0.158,0.119,0.206,2.799,13,12,4,0,0,0,0,0,0,43,2.079441542,2.63905733,2.564949357,1.609437912,0,0,0,0,0,0,3.784189634,1,0.333333333,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,0,2,3,0.5,4,2.888888889,0,0,0,0,0,0,0,0,0.571428571,0.288888889,0,0,0,0,0,0,0,0,0.86031746,11.54527138,16.10682419,23.09054275,3.298648965,11.54529609,1.11E-16,1.59E-17,-25.7157604,2000015.319,285716.4741,10.15606578,0,117.2718924,3.807354922,3.713572067,4.574710979,5.549076085,6.463029457,7.417580402,8.34877454,9.294773428,10.23196362,11.17460953,80.76809011,2.708050201,1.945910149,4.204692619,4.262679877,5.894402834,6.354370041,7.671826798,8.338783971,9.493637846,9.937985593,98.10955045,4.671883355,12.76776695,1.823966708,0,0,0,39,4,3.935,40,1.230755854,2.135365306,3.036742125,3.534403258,4.003565396,0,0,0,0,0,79.83322538,104.3074179,73.09476962,18.40092262,4.067878671,0,0,0,0,0,292.9249409,393.1938821,433.3061725,221.5634009,124.4458036,0,0,0,0,0,8.9678417,15.22860035,21.73065957,24.27876642,26.89780999,0,0,0,0,0,2.193649138,3.05106287,3.842085677,2.464659275,1.780036841,0,0,0,0,0,175.5207132,329.3367467,457.7563306,611.1178403,740.3299128,0,0,0,0,0,2.506119829,3.647226603,5.688608111,4.869694094,4.003565396,0,0,0,0,0,0.453834454,0.636711545,0.817470181,0.545658913,0.409965097,0,0,0,0,0,287.2769188,96.91984439,6.90010533,54.97224275,-18.54622096,-3.043630152,232.3046761,115.4660654,9.943735482,0.839379467,0.283185046,0.020161058,0.160620533,-0.054189237,-0.008893024,98.32028461,33.17073548,2.361555264,18.81420399,-6.347428574,-1.041679868,0.081786503,0.17578667,1.396767988,3.438573806,342.2491616,0,1,0,464.7615217,21.55832836,7.745986249,601.3553539,24.52254787,8.440672709,749.1596871,27.37078163,9.082208474,1.296969379,1.296969379,252.1956469,185.0151514,153.0717747,1.363108075,1.647564663,1.208682343,3.512132744,3.225180717,5.327961006,0.651988361,4.301416968,6.199486959,3.777763919,18.33566898,8.121145055,19.5184162,11.33665983,5.061490668,3.395877028,0.062486641,2.44E-20,2.20E-60,3.83E-122,1.29E-205,8.370599275618E-311,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.360988104,5.981572515,0.201313187,9.970807384,0.612088111,0.803523403,0.220420604,0.31495808,0.023917441,4.40E-04,1.72E-22,1.55E-62,2.70E-124,9.09E-208,5.8954815123E-313,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.165313549,5.996134452,0.726120222,11.48114567,1.785496558,3.14278986,1.160870473,1.089085128,0.249238163,0.004586166,1.79E-21,1.61E-61,2.81E-123,9.47E-207,6.143546279794E-312,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.060186704,6.175562026,3.486215137,17.75384776,7.534319786,17.84883097,10.18611288,4.702018271,3.025665295,0.055674472,2.17E-20,1.96E-60,3.42E-122,1.15E-205,7.4580532541363E-311,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.717457779,6.015014349,1.147318699,12.57647108,2.697703173,5.188315635,2.200952096,1.678321843,0.541378593,0.009961765,3.89E-21,3.50E-61,6.11E-123,2.06E-206,1.3344603461074E-311,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.194584097,6.300087975,4.939670848,20.5690647,10.43823713,26.29495713,16.13028833,6.470678062,4.952567492,0.091130894,3.56E-20,3.21E-60,5.59E-122,1.88E-205,1.22077323614033E-310,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.764936759,4.687917252,1.524280759,14.14357679,4.198799292,9.17283017,4.412638906,2.958562273,1.155541493,0.021262815,8.30E-21,7.48E-61,1.30E-122,4.39E-206,2.8483289201755E-311,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.082843529,1.869509079,0.869072076,0.431997525,0.387750344,0.553775503,0.663668356,0.358117514,4.821424684,7.328774175,15.53427417,0.229621803,1.575561373,1.447959305,1.122367513,0.440788829,0.48087137,0.372741417,0.26762554,0.23923796,0.092094473,3.011115647,2.758113832,6.485574132,0.28041918,0.598957973,1.700112029,1.41911025,0.610889357,0.455780468,0.380447126,0.368961551,0.382457579,0.176913857,3.730111636,4.318146099,9.522117747,0.254341391,0.928332987,2.067125241,1.851012274,0.858469018,0.432760209,0.387516171,0.545450219,0.650606802,0.349430191,4.776606533,7.189873859,15.25121824,0.23041457,1.545487212,1.81250783,1.551379901,0.686710011,0.447466756,0.383000238,0.419360732,0.457065288,0.223567334,4.050597742,5.121903599,11.10345313,0.245700491,1.099993354,2.132053466,1.92741747,0.902267413,0.429698891,0.388456088,0.58024646,0.705396481,0.386005144,4.96173835,7.772085439,16.44156279,0.227232469,1.671648085,2.074741469,1.858973666,0.858055182,0.432980158,0.38795133,0.549471506,0.656212719,0.349085217,4.791770317,7.232234409,15.33342897,0.231397231,1.554769442 +UMLRON0249,L,"1,1,2,2-tetramethylcyclopropane",CC1(CC1(C)C)C,77778,,UML,[1],C7H14,PubChem,,100.5,0,1.359,1.846881,26.1356,17.22793,0,0,16,6,10,0,6,0,0,0,0,0,0,0,0,0,875.745366,986.655606,921.130397,778.898404,229.104288,20.32128,0,0,0,2851.938855,3688.467574,4139.872837,3778.523424,2407.180283,621.6748886,0,0,0,112.427736,116.419416,191.895476,197.791888,202.02048,134.36928,0,0,0,21.17952905,27.8688431,34.42888639,32.5292122,24.93453953,8.892258097,0,0,0,2609.942657,2291.991614,4193.438456,4436.479404,4790.300031,3698.35304,0,0,0,32.05555556,36.13888889,48,54.33333333,46,20,0,0,0,54.73408538,61.66597537,34.11594063,27.81780014,7.900147862,1.016064,0,0,0,178.2461784,230.5292234,153.3286236,134.9472652,83.00621667,31.08374443,0,0,0,7.0267335,7.2762135,7.107239852,7.063996,6.966223448,6.718464,0,0,0,1.323720566,1.741802694,1.27514394,1.161757579,0.859811708,0.444612905,0,0,0,163.121416,143.2494759,155.3125354,158.445693,165.1827597,184.917652,0,0,0,2.003472222,2.258680556,1.777777778,1.94047619,1.586206897,1,0,0,0,0.034424578,-0.003401621,-0.006612291,-0.010113846,-0.017603812,0.020519282,0,0,0,453.9975338,3.69E-13,-115.3910398,-128.6326346,-323.4732428,340.4981503,0,0,0,844.2278004,1.85E-13,-214.5745659,-239.1978768,-601.5123078,633.1708503,0,0,0,0.088935,1.38E-15,-0.022604312,-0.02519825,-0.063366188,0.06670125,0,0,0,3.774091068,1.05E-15,-0.959248146,-1.069325803,-2.689039886,2.830568301,0,0,0,20.50092258,5.20E-14,-5.210651156,-5.808594731,-14.60690734,15.37569194,0,0,0,4.493055556,-1.048611111,0.88671875,-1.557291667,-2.48046875,1.953125,0,0,0,0.002151536,-2.13E-04,-2.45E-04,-3.61E-04,-6.07E-04,0.001025964,0,0,0,28.37484586,2.31E-14,-4.273742216,-4.594022663,-11.15424975,17.02490752,0,0,0,52.76423752,1.15E-14,-7.947206146,-8.542781314,-20.74180372,31.65854251,0,0,0,0.005558437,8.60E-17,-8.37E-04,-9.00E-04,-0.002185041,0.003335062,0,0,0,0.235880692,6.59E-17,-0.035527709,-0.038190207,-0.092725513,0.141528415,0,0,0,1.281307661,3.25E-15,-0.19298708,-0.207449812,-0.50368646,0.768784597,0,0,0,0.280815972,-0.065538194,0.032841435,-0.05561756,-0.085533405,0.09765625,0,0,0,-0.098813738,-0.113825499,-0.167884143,-0.282137023,0.476851898,0,0,0,8.14E-16,-0.150617284,-0.161904762,-0.393103448,0.6,0,0,0,2.19E-16,-0.150617284,-0.161904762,-0.393103448,0.6,0,0,0,1.55E-14,-0.150617284,-0.161904762,-0.393103448,0.6,0,0,0,2.79E-16,-0.150617284,-0.161904762,-0.393103448,0.6,0,0,0,2.53E-15,-0.150617284,-0.161904762,-0.393103448,0.6,0,0,0,-0.233384853,0.116950026,-0.198056966,-0.304588818,0.347758887,0,0,0,1.258607507,1.07966621,1.229571022,1.209486899,0.060409177,0,0,0,1.25,1.185185185,1.142857143,1.24137931,0,0,0,0,1.25,1.185185185,1.142857143,1.24137931,0,0,0,0,1.25,1.185185185,1.142857143,1.24137931,0,0,0,0,1.25,1.185185185,1.142857143,1.24137931,0,0,0,0,1.25,1.185185185,1.142857143,1.24137931,0,0,0,0,1.47797527,0.549544908,1.569882976,1.295102063,0,0,0,0,17.48025911,8.740129556,13.58907433,17.48025911,2.913376519,8.740557167,1.78E-15,0.0152078,0.002534633,-2.511568091,18.51548822,3.085914703,1.75116455,17.48025911,8.740129556,13.58907433,17.48025911,2.913376519,8.740557167,1.78E-15,0.0152078,0.002534633,-2.511568091,18.51548822,3.085914703,1.75116455,17.48025911,8.740129556,13.58907433,17.48025911,2.913376519,8.740557167,1.78E-15,0.0152078,0.002534633,-2.511568091,18.51548822,3.085914703,1.75116455,17.48025911,8.740129556,13.58907433,17.48025911,2.913376519,8.740557167,1.78E-15,0.0152078,0.002534633,-2.511568091,18.51548822,3.085914703,1.75116455,17.48025911,8.740129556,13.58907433,17.48025911,2.913376519,8.740557167,1.78E-15,0.0152078,0.002534633,-2.511568091,18.51548822,3.085914703,1.75116455,17.48025911,8.740129556,13.58907433,17.48025911,2.913376519,8.740557167,1.78E-15,0.0152078,0.002534633,-2.511568091,18.51548822,3.085914703,1.75116455,24.45243391,12.00260585,19.44222393,24.15428577,4.025714294,12.00262081,-0.447222222,0.118564202,0.0197607,-1.279380407,20.58909628,3.431516047,1.814856977,0,11.9,12.1000824,-0.145991075,0.054086698,5.702487544,7.49202057,6,16,15,15,5,1,1,0,0,1,10.93207,3.733404529,3.068078893,2.227823272,1.456797487,1.334096639,0.376702921,0.083923071,0.083923071,1.759224149,1.372874417,1.193640145,1.056451988,0.395097691,0.083923071,0.083923071,0.083923071,3.75211214,3.099680863,2.29680112,1.556142907,1.421894781,0.498625911,0.270913902,0.270913902,1.706430084,1.285229005,1.091559064,0.949442114,0.238027945,0.270913902,0.270913902,0.270913902,3.835876696,3.242668026,2.585047345,1.9628467,1.79632903,0.960746853,0.943918427,0.943918427,1.56179717,1.018928274,0.779353883,0.604699985,0.300856795,0.943918427,0.943918427,0.943918427,3.765970253,3.123197615,2.346878639,1.62787375,1.486273193,0.584491656,0.399277246,0.399277246,1.673750678,1.228596505,1.025193387,0.878901005,0.131857305,0.399277246,0.399277246,0.399277246,3.877656294,3.314239764,2.715621929,2.141548494,1.966920643,1.207644823,1.207644823,1.207644823,1.520004,0.933903671,0.681113237,0.485915277,0.498019637,1.145153538,1.207644823,1.207644823,3.733814583,3.220686639,2.581873212,1.6420344,1.496497854,0.656311392,0.545454545,0.545454545,1.620003441,1.278398037,1.012754126,0.645086902,0.047702849,0.545454545,0.545454545,0.545454545,0,0,1,0,1,1,2,1,0,0.288675135,0.166666667,0,0,0,0.288675135,0.144337567,0,0,0,0.5,0,0.166666667,0,0.348461713,0,0.102062073,0,0.804737854,0.333333333,0,0.535074775,0.204124145,0,4.568914101,2.804530453,2.58144686,1.276142375,0.666666667,0,0,0,0.761485683,0.467421742,0.322680858,0.212690396,0.166666667,0,0,0,4.198670613,2.458725106,2.120626365,0.98559856,0.49279928,0,0,0,0.699778435,0.409787518,0.265078296,0.164266427,0.12319982,0,0,0,8.709139019,15.43918427,14.62745098,14.8,9.992772455,121.8839701,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,1.89869,27.268,12.74882884,19.44587626,25.49765768,4.249609614,12.74883489,0.169657342,0.028276224,-1.064384707,100.3505316,16.72508859,2.765201623,30,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,3,2,0,1,0,0,0,0,0,0,0,0,1,1,2,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.1875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.777083333,0.580555556,0,0.363194444,0,0,0,0,0,0,0,0,2.108796296,3.81712963,2.796296296,0,0,0,0.907407407,0,0,1.37037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.37037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.243402778,0.290277778,0,0.363194444,0,0,0,0,0,0,0,0,2.108796296,3.81712963,1.398148148,0,0,0,0.907407407,0,0,1.37037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.81712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.290277778,0.290277778,0,0.363194444,0,0,0,0,0,0,0,0,2.108796296,3.81712963,1.398148148,0,0,0,0.907407407,0,0,1.37037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.363194444,3.81712963,0.069444444,0.907407407,3.665087963,0.425925926,0.81712963,1.851851852,0.425925926,0.81712963,1.851851852,3,0.5,0,0,0.45,0.7,0.43333,0.43333,0.7,0.01667,0.01667,0,0,0.71429,0,0,0.33333,0.33333,0,4,0.66667,3,0.5,1,0.16667,-2,-0.33333,0,0,4.08391,0.68065,5.23292,1.14901,0.1915,2.2801,0.38002,2.80452,0.52442,0.0874,0.10948,0.01825,0.19548,0.03258,0.1875,6,0,0,0,0,0,0,0.666666667,0.954434003,2.25,2.952819531,2.952819531,2.702819531,2.202819531,15.27094405,36,47.2451125,47.2451125,43.2451125,35.2451125,0.238608501,0.5625,0.738204883,0.738204883,0.675704883,0.550704883,3.045565997,1.75,1.047180469,1.047180469,1.297180469,1.797180469,0.233502796,0.55046372,0.722408899,0.722408899,0.661246264,0.538920992,6.794779896,17.3818469,18.09016602,18.09016602,15.09016602,11.83820976,23.34095565,15.25,14.85845859,14.85845859,13.35845859,11.60845859,4.166666667,1.25,0.979591837,3,2,3,2.12,0.8024,0.5,1.333333333,2.828427125,0,1,2.828427125,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.108,0.254,0.368,2.766,8,6,4,0,0,0,0,0,0,30,2.079441542,2.397895273,2.197224577,1.945910149,0,0,0,0,0,0,3.63758616,1.233333333,0.333333333,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,2,0.333333333,0,2,3,0.5,1.5,0.5,0.444444444,0,0,0,0,0,0,0,0.25,0.1,0.111111111,0,0,0,0,0,0,0,0.461111111,9.608834689,14.63215581,19.21766938,3.202944896,9.60899955,0.04957236,0.00826206,-1.802593111,18.40949036,3.068248393,1.747719787,0,97.33944905,3.584962501,3.36729583,4.143134726,4.96284463,5.771441123,6.597145702,7.41397029,8.240385116,9.060098709,9.885985277,71.4423014,2.564949357,1.945910149,3.80666249,3.713572067,5.262690189,5.476463552,6.803505258,7.21303166,8.383204551,8.877242436,82.07825032,5.129890645,10.97733173,1.829555289,0,0,0,28,4,2.476,28,1.223867059,2.14835643,3.003259,3.662760455,4.127172952,0,0,0,0,0,85.9416799,82.3746342,90.27542274,29.54224542,4.193471858,0,0,0,0,0,306.601603,354.7925027,424.5601798,308.6017961,128.2879893,0,0,0,0,0,8.938622866,15.32420608,21.25891546,25.53741409,27.7282629,0,0,0,0,0,2.264472386,2.892741443,3.60688515,3.18582766,1.834994355,0,0,0,0,0,173.2323476,329.7210261,472.6929049,603.2879319,763.1871317,0,0,0,0,0,2.823061292,3.980193638,5.975113836,5.8872687,4.127172952,0,0,0,0,0,0.467291002,0.608361485,0.764299984,0.695408683,0.42262251,0,0,0,0,0,233.7858061,77.66137062,7.726012702,61.98529203,-20.59091104,-4.176420013,171.8005141,98.25228166,11.90243272,0.790428164,0.262572547,0.026121595,0.209571836,-0.069617725,-0.014120447,69.1470846,22.96998887,2.285131261,18.33345789,-6.090196371,-1.235264334,0.160872432,0.299366674,3.640680751,7.155155423,295.7710981,0,1,0,421.1676574,20.52236968,7.495805995,520.9009603,22.82325481,8.046093087,591.1100216,24.3127543,8.392463107,1.687738298,1.627402386,221.9203829,164.8323155,81.86062247,1.346340262,2.710954012,2.013572711,3.32193874,3.413998351,5.504108134,0.612217572,3.944355152,3.948906504,2.798048102,9.243752498,7.046018103,8.996877835,7.238097805,5.45087073,1.131608689,1.480847831,2.09E-11,8.45E-44,6.58E-98,9.89E-174,2.87E-271,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331033141,3.947720637,0.155335632,4.961386416,0.441572412,1.38243857,0.352342341,0.228151475,0.00797003,0.010429732,1.47E-13,5.95E-46,4.63E-100,6.96E-176,2.02E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.068589197,3.94780005,0.55381739,5.473091713,1.121257301,2.339968365,1.305468798,0.887594616,0.08305372,0.108685853,1.53E-12,6.20E-45,4.83E-99,7.26E-175,2.10E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.723150167,3.948776367,2.58639892,8.853378015,6.405232657,8.319620619,6.656511583,4.987289072,1.008242981,1.319408757,1.86E-11,7.53E-44,5.86E-98,8.81E-174,2.55E-271,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.574898307,3.947902859,0.86921425,5.931970442,1.786308377,3.174466888,2.094088055,1.461017099,0.180403736,0.236080195,3.33E-12,1.35E-44,1.05E-98,1.58E-174,4.57E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.763377643,3.949453675,3.638306835,10.83470757,9.687047592,11.74415227,9.573169123,7.330636418,1.650344866,2.159677389,3.05E-11,1.23E-43,9.60E-98,1.44E-173,4.18E-271,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.182924067,2.933442385,1.145293161,7.022051064,3.073759108,3.987395377,3.356408441,2.272233068,0.3366771,0.440582826,6.22E-12,2.51E-44,1.96E-98,2.94E-174,8.53E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.556643449,1.514933724,0.468034248,0.563185527,0.333714405,0.602474809,0.569556658,0.303534716,4.539611421,5.778782941,12.13115905,0.345349897,1.475566183,1.85727,0.853718942,0.152607923,0.648579422,0.298128187,0.320229307,0.185702328,0.032246117,2.863596864,1.99930497,5.104874908,0.472869133,0.538177752,2.117353034,1.103132783,0.271619195,0.606325705,0.315893359,0.414564267,0.308559103,0.102307859,3.492105013,3.210467311,7.33699913,0.409488558,0.82543123,2.537444558,1.497162272,0.459553017,0.564609325,0.333135074,0.593506191,0.556957069,0.292657711,4.494159847,5.653081999,11.89306825,0.346913988,1.443120972,2.240489956,1.2197011,0.32720677,0.591564462,0.322041981,0.463599483,0.375525647,0.148479822,3.787397825,3.864926002,8.54649095,0.387346693,0.987604952,2.617434471,1.571077986,0.49483349,0.5588813,0.335460588,0.631331152,0.6100832,0.339195747,4.683345947,6.184809913,12.90300701,0.341512832,1.580610098,2.541948416,1.505486762,0.458549698,0.564127152,0.334108259,0.59537667,0.566171874,0.291364301,4.505984877,5.682819872,11.94361469,0.347353117,1.452912845 +UMLRON0250,L,iso-propenylcyclopropane,CC(=C)C1CC1,78394,,UML,[1],C6H10,PubChem,,94.4,0,1.899,3.606201,42.0986,26.508688,0,0,25,9,16,0,9,0,0,0,0,0,0,0,0,0,1314.634113,1492.090497,2177.180389,1889.677953,1133.304317,333.07344,33.530112,0,0,4308.992027,5647.437978,8601.319704,9629.847146,7051.702733,3542.659425,1025.763566,0,0,175.360068,181.746756,342.75298,476.69562,573.717812,305.990784,221.709312,0,0,32.21390648,42.91680896,67.87150539,82.99635593,68.69224873,36.95518435,14.67222586,0,0,4099.831637,3591.109968,7357.361947,10340.20802,14103.69551,7309.703977,6102.282517,0,0,43.84027778,52.375,85.16666667,122.2083333,117.0833333,67,33,0,0,52.58536452,59.68361988,45.35792477,28.20414855,13.65426888,7.569850909,1.016064,0,0,172.3596811,225.8975191,179.1941605,143.7290619,84.96027389,80.51498694,31.08374443,0,0,7.01440272,7.26987024,7.140687083,7.11486,6.912262795,6.954336,6.718464,0,0,1.288556259,1.716672358,1.413989696,1.238751581,0.827617455,0.839890553,0.444612905,0,0,163.9932655,143.6443987,153.2783739,154.3314629,169.9240423,166.1296358,184.917652,0,0,1.753611111,2.095,1.774305556,1.824004975,1.41064257,1.522727273,1,0,0,0.045091223,-0.008251724,0.008727739,-0.034791147,0.00528561,-0.016329856,0.022813767,0,0,697.3402118,6.75E-13,147.7973838,-735.6939235,164.262361,-442.8110345,517.7751073,0,0,1296.733901,-1.28E-13,274.8355463,-1368.054266,305.4528746,-823.4260274,962.8249218,0,0,0.13660416,2.26E-15,0.028952493,-0.144117389,0.032177869,-0.086743642,0.101428589,0,0,5.797003881,1.49E-14,1.228642767,-6.115839094,1.36551647,-3.681097464,4.304275381,0,0,31.48941709,-1.44E-13,6.67400701,-33.22133503,7.417507136,-19.99577985,23.38089219,0,0,3.94,-1.6325,2.279366667,-3.733366667,1.833644444,-3.005511111,2.288366667,0,0,0.001803649,-3.30E-04,1.82E-04,-5.19E-04,6.37E-05,-3.71E-04,6.91E-04,0,0,27.89360847,2.70E-14,3.079112162,-10.98050632,1.97906459,-10.06388715,15.69015477,0,0,51.86935606,-5.12E-15,5.725740548,-20.41872039,3.680155115,-18.7142279,29.17651278,0,0,0.005464166,9.04E-17,6.03E-04,-0.002151006,3.88E-04,-0.001971446,0.003073594,0,0,0.231880155,5.97E-16,0.025596724,-0.091281181,0.016452006,-0.083661306,0.130432587,0,0,1.259576683,-5.77E-15,0.139041813,-0.495840821,0.089367556,-0.454449542,0.708511884,0,0,0.1576,-0.0653,0.047486806,-0.055721891,0.022092102,-0.068307071,0.069344444,0,0,-0.183000678,0.100811131,-0.287900182,0.03530734,-0.205767918,0.383293153,0,0,9.68E-16,0.110387731,-0.393656716,0.070950469,-0.360795455,0.5625,0,0,-9.86E-17,0.110387731,-0.393656716,0.070950469,-0.360795455,0.5625,0,0,1.65E-14,0.110387731,-0.393656716,0.070950469,-0.360795455,0.5625,0,0,2.58E-15,0.110387731,-0.393656716,0.070950469,-0.360795455,0.5625,0,0,-4.58E-15,0.110387731,-0.393656716,0.070950469,-0.360795455,0.5625,0,0,-0.414340102,0.301312218,-0.353565295,0.140178311,-0.433420499,0.44000282,0,0,1.434656118,0.881067791,1.460430817,0.86525343,1.160857226,0.033325023,0,0,1.333333333,1.041666667,1.492537313,0.753012048,1.231060606,0,0,0,1.333333333,1.041666667,1.492537313,0.753012048,1.231060606,0,0,0,1.333333333,1.041666667,1.492537313,0.753012048,1.231060606,0,0,0,1.333333333,1.041666667,1.492537313,0.753012048,1.231060606,0,0,0,1.333333333,1.041666667,1.492537313,0.753012048,1.231060606,0,0,0,1.780033841,0.609401438,1.54304619,0.691344056,1.48823258,0,0,0,36.35018721,17.89814959,25.51319574,36.35018721,4.03890969,17.89814966,1.42E-14,0.046890492,0.005210055,-2.753946318,83.85482342,9.317202603,3.98617831,36.35018721,17.89814959,25.51319574,36.35018721,4.03890969,17.89814966,1.42E-14,0.046890492,0.005210055,-2.753946318,83.85482342,9.317202603,3.98617831,36.35018721,17.89814959,25.51319574,36.35018721,4.03890969,17.89814966,1.42E-14,0.046890492,0.005210055,-2.753946318,83.85482342,9.317202603,3.98617831,36.35018721,17.89814959,25.51319574,36.35018721,4.03890969,17.89814966,1.42E-14,0.046890492,0.005210055,-2.753946318,83.85482342,9.317202603,3.98617831,36.35018721,17.89814959,25.51319574,36.35018721,4.03890969,17.89814966,1.42E-14,0.046890492,0.005210055,-2.753946318,83.85482342,9.317202603,3.98617831,36.35018721,17.89814959,25.51319574,36.35018721,4.03890969,17.89814966,1.42E-14,0.046890492,0.005210055,-2.753946318,83.85482342,9.317202603,3.98617831,49.01678758,23.5483531,34.75971756,48.89821328,5.433134809,23.5483531,-0.321141975,0.043794469,0.004866052,-2.815422977,138.3129838,15.36810931,4.436567204,0,11.89,12.11013444,-0.148263011,0.075405981,6.196930614,9.556132015,9,25,24,24,8,1,1,0,0,1,17.491312,3.733582397,3.10966276,2.888058698,2.333552793,2.211986631,2.063353035,1.010346302,0.917771627,2.017380428,1.620192124,1.40030127,1.249629723,1.094581522,0.926633618,0.374610118,0.295067969,3.751422807,3.142694636,2.919970026,2.405454588,2.280541477,2.128385728,1.125641094,1.031096929,1.972986382,1.544372287,1.321955807,1.134540686,0.98313127,0.815297237,0.216948124,0.133794463,3.831851373,3.291562029,3.066054368,2.704236987,2.56731838,2.404868785,1.592864548,1.498123917,1.848329807,1.321817301,1.096185679,0.76031856,0.621388442,0.457688171,0.322441293,0.416123648,3.76466643,3.167251484,2.943813478,2.457539916,2.330333277,2.175897703,1.208723541,1.113247878,1.94526118,1.496031182,1.2723473,1.058262671,0.909307125,0.7418051,0.110460084,0.024924719,3.872316662,3.365582045,3.140023427,2.838982085,2.697313254,2.532169268,1.79461049,1.702757251,1.811147283,1.253375843,1.028233683,0.631337262,0.49712464,0.336598153,0.518760321,0.614472257,3.753347334,3.190081983,3.035957827,2.62226806,2.407387417,2.238178854,1.30263677,1.228490501,1.965992884,1.45090158,1.164252036,0.889647739,0.81084174,0.635844681,7.19E-04,0.135198171,0,0,0,2,0,3,2,1,1,0,0,0,0.072168784,0.216506351,0,0,0,0.048112522,0.144337567,1.495781916,0.25,0,0,1.33915195,0.204124145,0,0,1.444814383,2.430412943,2.198259192,1.153199567,1.958700306,1.626996445,6.905777394,4.100953631,4.365737948,2.451524386,2.076524386,1.045385138,0.637136847,0,0.767308599,0.455661515,0.335825996,0.204293699,0.14832317,0.087115428,0.079642106,0,6.64626437,3.777656999,3.935948244,1.982048417,1.668867387,0.727507328,0.424757898,0,0.738473819,0.419739667,0.30276525,0.165170701,0.119204813,0.060625611,0.053094737,0,13.33462243,24.10269483,22.80392157,23.08,15.38843593,190.9687353,0.533384897,0.964107793,0.912156863,0.9232,0.615537437,7.638749413,2.92489,41.049,35.38050655,47.99921715,70.7610131,7.862334788,35.38050655,0.102065305,0.011340589,-2.05392818,36.32784657,4.036427397,3.233326113,61,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,6,1,0,2,0,0,0,0,0,0,0,0,3,0,2,0,2,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.653935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.520208333,0,0,1.489513889,0.290277778,0,0.520208333,0,0,0,0,0,0,0,0,6.934097222,0,2.631875,0,4.653935185,0,0.893518519,0,0,0,0,0,0.469907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.313657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.250763889,0,0,0.225625,0.290277778,0,0.250763889,0,0,0,0,0,0,0,0,2.304722222,0,1.281180556,0,2.313657407,0,0.893518519,0,0,0,0,0,0.469907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.340277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.269444444,0,0,0.290277778,0.290277778,0,0.269444444,0,0,0,0,0,0,0,0,2.324652778,0,1.350694444,0,2.340277778,0,0.893518519,0,0,0,0,0,0.469907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.58333333,1.731481481,0.290277778,2.340277778,0.090277778,0.469907407,6.062068287,0.780092593,0.340277778,3.176064815,0.780092593,0.340277778,3.176064815,4.5,0.5,0,0,0.444,0.7,0.43333,0.43333,0.7,0.01067,0.01067,0,0,0.71429,0,0,0.33333,0.11111,0.11111,5.5,0.61111,4.5,0.5,1,0.11111,-3.5,-0.38889,0,0,9.39443,1.04383,10.70711,1.31267,0.14585,3.60095,0.40011,4.10095,0.5,0.05556,0.31305,0.03478,0.39905,0.04434,0.24,9,0,0,0,0,0,0,0.777777778,0.942683189,2.161541933,3.182683189,3.59326969,3.59326969,3.59326969,23.56707973,54.03854833,79.56707973,89.83174224,89.83174224,89.83174224,0.202995776,0.46546272,0.685353521,0.773768511,0.773768511,0.773768511,3.701173001,2.482314256,1.461173001,1.0505865,1.0505865,1.0505865,0.200552128,0.459859516,0.677103288,0.764453946,0.764453946,0.764453946,6.78267514,17.58500857,20.7048025,21.11860186,21.11860186,21.11860186,35.24630968,21.70460118,18.01012261,17.0890857,17.0890857,17.0890857,7.111111111,2.319526627,2,0,2,0,2.45,1.2251,0.944940787,4.559014114,1.44224957,2.080083823,3.532775529,2.555772417,2.555772417,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.162,0.155,0.259,0.348,3.921,13,12,14,12,8,0,0,0,0,77,2.397895273,2.772588722,2.890371758,3.091042453,3.091042453,2.833213344,0,0,0,0,4.700480366,1.415584416,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,4,0.333333333,3.5,1.111111111,0.8125,0.333333333,0,0,0,0,0,0,0.388888889,0.085470085,0.090277778,0.066666667,0,0,0,0,0,0,0.631303419,18.63289832,26.56578181,37.26579663,4.14064407,18.63289835,0.040935541,0.004548393,-2.876180948,151.3799242,16.81999158,4.517813458,0,149.2274029,4.169925001,3.80666249,4.553876892,5.433722004,6.196444128,7.079184395,7.845807503,8.728911725,9.496646498,10.37975279,81.52100842,2.944438979,0,4.262679877,0,5.765191103,0,7.351799869,0,8.974491448,9.197457746,124.1252005,4.96500802,17.31070842,1.923412046,0,0,0,82,9,4.322,44,1.273519207,2.228216774,3.100409014,3.730697037,4.747957968,5.426859404,0,0,0,0,89.71190196,116.3793885,94.80619561,58.41364014,37.23562282,5.514036473,0,0,0,0,319.702965,440.3712919,466.4303517,343.0205531,392.0438103,168.6871108,0,0,0,0,9.302169193,15.99345168,22.10527651,25.8656256,33.06547672,36.46015954,0,0,0,0,2.359936692,3.393390599,3.967002875,3.261003663,4.065827312,2.412851724,0,0,0,0,180.2038702,335.7652767,475.1738268,628.0408646,785.0661358,1003.522099,0,0,0,0,2.718017459,4.156819456,5.774294517,5.456164172,7.368800224,5.426859404,0,0,0,0,0.486940954,0.706664107,0.839614054,0.705669385,0.888300545,0.555710403,0,0,0,0,308.2486206,146.1731271,9.451006813,76.16863383,-36.11956923,-5.284929151,232.0799867,182.2926963,14.73593596,0.801859482,0.38024601,0.024585283,0.198140518,-0.093959282,-0.013747898,118.4960884,56.19147218,3.63313009,29.28053709,-13.88498564,-2.031617954,0.121117712,0.183824362,3.191131886,5.046837686,384.4172544,0,1,0,547.4607859,23.39787994,8.180584573,702.8779878,26.51184618,8.89119184,969.7921891,31.14148662,9.898276029,1.239563353,1.165377654,498.4168109,402.0787317,223.8825602,1.239600038,2.226242234,1.79593592,4.241413277,4.154060744,6.661461263,0.603602276,4.625870919,5.109140404,5.26153358,19.5394612,10.04533026,16.15717422,15.7845085,12.45174076,6.140148004,5.292588383,3.718351786,1.537396366,1.06E-05,2.90E-31,1.54E-78,1.58E-147,3.12E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0.388350494,5.108873296,0.461701132,6.867204715,4.04310019,1.949967968,2.736268397,2.582037019,0.296045758,0.159069956,0.153125813,0.010828008,7.47E-08,2.04E-33,1.09E-80,1.11E-149,2.20E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,1.253318754,5.108891727,1.296890319,8.927823878,4.934110722,4.384084166,4.57368503,4.083404518,1.097427942,0.697743881,0.59903209,0.112836195,7.79E-07,2.13E-32,1.13E-79,1.16E-148,2.29E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,4.366452955,5.109111284,4.916551111,18.57757265,9.559658844,15.12260722,14.69349055,11.66595391,5.643868145,4.798184701,3.400388257,1.369792484,9.46E-06,2.59E-31,1.37E-78,1.41E-147,2.78E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,1.847092347,5.108915095,1.913144056,10.49857201,5.644984278,6.193357296,6.080272626,5.266440625,1.763803172,1.218714693,0.98881463,0.245095294,1.69E-06,4.63E-32,2.46E-79,2.52E-148,4.98E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,5.586378874,5.10926272,6.596914202,23.3122065,11.97778192,20.17484187,20.15584399,15.56731559,8.134914499,7.327670587,5.008832831,2.242148113,1.55E-05,4.23E-31,2.25E-78,2.30E-147,4.56E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,2.837964654,4.192826728,2.89804311,12.44592118,6.61524905,8.730521033,8.016160378,8.053390583,2.964979894,2.286414786,1.790997108,0.512802517,3.54E-06,9.68E-32,5.14E-79,5.27E-148,1.04E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,3.764312819,1.820850329,1.046977041,0.567586437,0.274549433,0.542156837,0.416981307,0.42232669,6.632140188,12.70178782,26.51017063,0.351379655,1.381464834,2.726163713,1.30884674,0.51368689,0.599328447,0.287741004,0.283561662,0.215063049,0.101006523,4.548697343,5.640862459,12.02246166,0.39899267,0.599631234,3.123391171,1.504784401,0.717835502,0.584247045,0.28147798,0.37266379,0.284413453,0.19777771,5.346011074,8.022299047,16.74215874,0.376370567,0.854854953,3.737034857,1.807399246,1.032974117,0.56816222,0.274788972,0.534295666,0.410815842,0.411043455,6.577408221,12.48157091,26.03601065,0.35224333,1.356154963,3.306694793,1.595185499,0.811999027,0.578712746,0.279177317,0.41789465,0.319712698,0.253358796,5.713879319,9.255113612,19.25211857,0.36806912,0.990966143,3.850265119,1.86323426,1.091097005,0.56583299,0.273819953,0.567303745,0.436714307,0.458885782,6.804596384,13.40792794,28.03999519,0.348749485,1.462903833,3.746317178,1.812934992,1.035735181,0.568055248,0.274895901,0.536872148,0.413472296,0.413286882,6.594987352,12.54974256,26.17926667,0.352082873,1.363631326 +UMLRON0251,L,"3,3,5-trimethylcyclohexene",CC1CC=CC(C1)(C)C,79031,,UML,[1],C9H16,PubChem,,96.5,0,0.4362,0.19027044,30.8353,20.321516,0,0,19,7,12,0,7,0,0,0,0,0,0,0,0,0,1022.041615,1155.133903,1426.565288,898.022836,500.530802,124.204752,9.144576,0,0,3337.623245,4341.457709,6098.843241,5121.990416,3242.327065,1498.885714,279.7536999,0,0,133.40518,138.195196,257.222816,329.035216,249.895496,164.835648,60.466176,0,0,24.85765486,32.88483172,49.47685225,46.99724004,31.39754125,16.69109236,4.001516144,0,0,3106.572317,2725.031065,5492.556811,7663.758854,6032.067212,4151.86771,1664.258868,0,0,32.52777778,39.25,63.25,71.75,53,31.5,9,0,0,53.79166395,60.79652121,39.62681356,19.10686885,13.90363339,5.175198,1.016064,0,0,175.6643813,228.4977741,169.4123122,108.9785195,90.0646407,62.45357141,31.08374443,0,0,7.021325263,7.273431368,7.145078222,7.000749277,6.941541556,6.868152,6.718464,0,0,1.308297624,1.730780617,1.374357007,0.999941277,0.872153924,0.695462182,0.444612905,0,0,163.5038062,143.4226876,152.5710225,163.058699,167.5574226,172.9944879,184.917652,0,0,1.711988304,2.065789474,1.756944444,1.526595745,1.472222222,1.3125,1,0,0,0.039203879,-0.003031575,-0.01348971,-0.010833801,0.001584279,-0.001999258,0.008168125,0,0,535.2391977,4.76E-13,-134.8158881,-215.3029855,-58.35314561,-7.042621022,147.8950415,0,0,995.3001436,-8.53E-14,-250.6959008,-400.3650954,-108.510166,-13.09605452,275.0171449,0,0,0.104849684,1.51E-15,-0.026409507,-0.042176377,-0.011430981,-0.001379601,0.028971623,0,0,4.449454733,4.27E-15,-1.12072732,-1.789818257,-0.48509093,-0.058545457,1.229454597,0,0,24.16950873,7.99E-14,-6.087808589,-9.72232118,-2.635021628,-0.318019852,6.678416885,0,0,2.631578947,-0.263157895,-0.734687596,-0.432209911,-0.113342567,-0.354801477,0.582409972,0,0,0.002063362,-1.60E-04,-3.75E-04,-2.31E-04,4.40E-05,-8.33E-05,9.08E-04,0,0,28.17048409,2.51E-14,-3.744885782,-4.580914586,-1.620920711,-0.293442543,16.43278239,0,0,52.38421809,-4.49E-15,-6.963775023,-8.518406284,-3.014171279,-0.545668938,30.55746055,0,0,0.005518404,7.93E-17,-7.34E-04,-8.97E-04,-3.18E-04,-5.75E-05,0.003219069,0,0,0.234181828,2.25E-16,-0.031131314,-0.03808124,-0.013474748,-0.002439394,0.136606066,0,0,1.272079407,4.21E-15,-0.169105794,-0.206857897,-0.073195045,-0.013250827,0.742046321,0,0,0.138504155,-0.013850416,-0.020407989,-0.009195956,-0.003148405,-0.014783395,0.064712219,0,0,-0.077328438,-0.181603691,-0.111713986,0.021328172,-0.040372172,0.439849833,0,0,8.89E-16,-0.132936508,-0.162613982,-0.057539683,-0.010416667,0.583333333,0,0,-8.57E-17,-0.132936508,-0.162613982,-0.057539683,-0.010416667,0.583333333,0,0,1.44E-14,-0.132936508,-0.162613982,-0.057539683,-0.010416667,0.583333333,0,0,9.61E-16,-0.132936508,-0.162613982,-0.057539683,-0.010416667,0.583333333,0,0,3.31E-15,-0.132936508,-0.162613982,-0.057539683,-0.010416667,0.583333333,0,0,-0.1,-0.147345679,-0.066394799,-0.022731481,-0.106736111,0.467222222,0,0,1.277152268,1.184946795,1.062315281,0.937255613,0.813802431,0.097193745,0,0,1.285714286,1.244047619,1.082826748,0.904761905,0.763392857,0,0,0,1.285714286,1.244047619,1.082826748,0.904761905,0.763392857,0,0,0,1.285714286,1.244047619,1.082826748,0.904761905,0.763392857,0,0,0,1.285714286,1.244047619,1.082826748,0.904761905,0.763392857,0,0,0,1.285714286,1.244047619,1.082826748,0.904761905,0.763392857,0,0,0,1.37,1.137361111,0.976276596,0.97375,0.961875,0,0,0,23.89262914,11.94631457,18.16969852,23.89262914,3.413232734,11.9463357,8.88E-15,0.180754119,0.025822017,-1.197432341,42.15015188,6.021450269,2.618866802,23.89262914,11.94631457,18.16969852,23.89262914,3.413232734,11.9463357,8.88E-15,0.180754119,0.025822017,-1.197432341,42.15015188,6.021450269,2.618866802,23.89262914,11.94631457,18.16969852,23.89262914,3.413232734,11.9463357,8.88E-15,0.180754119,0.025822017,-1.197432341,42.15015188,6.021450269,2.618866802,23.89262914,11.94631457,18.16969852,23.89262914,3.413232734,11.9463357,8.88E-15,0.180754119,0.025822017,-1.197432341,42.15015188,6.021450269,2.618866802,23.89262914,11.94631457,18.16969852,23.89262914,3.413232734,11.9463357,8.88E-15,0.180754119,0.025822017,-1.197432341,42.15015188,6.021450269,2.618866802,23.89262914,11.94631457,18.16969852,23.89262914,3.413232734,11.9463357,8.88E-15,0.180754119,0.025822017,-1.197432341,42.15015188,6.021450269,2.618866802,28.83593317,14.32570468,22.40959167,28.73780846,4.105401208,14.32570673,-0.18452381,0.183088899,0.026155557,-1.18844842,39.28813473,5.612590675,2.569645791,0,11.8,12.20005101,-0.286248339,0.113827561,5.435184036,8.246004736,7,19,18,18,6,1,1,0,0,1,13.118484,3.68838248,3.01651999,2.449847718,2.231243018,1.559675948,0.984466276,0.704134359,0.083923071,1.827799021,1.668098668,1.413266734,0.832024649,0.650787079,0.419772331,0.235059814,0.083923071,3.707899145,3.055949614,2.49146882,2.287166608,1.654633882,1.107405721,0.843704249,0.270913902,1.76943738,1.608624949,1.328107285,0.702410969,0.509928092,0.26780271,0.065519342,0.270913902,3.79510366,3.229637403,2.678200084,2.532758677,2.042989294,1.592578575,1.385021163,0.943918427,1.605212107,1.437233516,1.061243377,0.278721561,0.040423404,0.245449901,0.528524196,0.943918427,3.722345894,3.085054164,2.522387115,2.328462241,1.723134248,1.195006819,0.942566679,0.399277246,1.732871903,1.571125049,1.272394106,0.616251679,0.41563925,0.16560528,0.049870826,0.399277246,3.838512575,3.313610713,2.770146099,2.650037644,2.21393633,1.798127537,1.610053111,1.207644823,1.556723277,1.384484352,0.973343313,0.132905922,0.12495116,0.429167665,0.752427791,1.207644823,3.742247024,3.168074339,2.593564123,2.373809007,1.812764312,1.31465553,1.10799958,0.591549296,1.741459179,1.501274734,1.150870866,0.487388412,0.290698176,0.032793809,0.232216331,0.591549296,0,0,0,2,0,1,3,1,0,0,0,0.144337567,0.102062073,0.102062073,0,0,0.096225045,0.068041382,0.068041382,0.204124145,0,0,0,0.166666667,0,0,0,0.49279928,0.594861352,0.204124145,0.380742842,0.41820032,0.136082763,5.112884175,3.431851653,2.558730745,2.052095141,1.418611262,0.49279928,0.204124145,0,0.730412025,0.490264522,0.319841343,0.228010571,0.157623474,0.12319982,0.102062073,0,4.853371151,3.098518319,2.173830565,1.636749831,1.035408308,0.350158939,0.136082763,0,0.693338736,0.442645474,0.271728821,0.181861092,0.115045368,0.087539735,0.068041382,0,10.25096682,18.32702112,17.35294118,17.56,11.79132695,144.9122251,0.53952457,0.964580059,0.913312693,0.924210526,0.620596155,7.626959218,2.28879,31.885,22.87726984,33.16178179,45.75453968,6.536362811,22.87726984,0.106509552,0.01521565,-1.567664427,23.73191568,3.390273668,2.216774557,44,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,1,0,3,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.619212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.594861111,0,0,1.305138889,0.580555556,0,0.594861111,0,0,0,0,0,0,0,0,2.250324074,0,4.04712963,0,4.619212963,0,0.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.28587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.225625,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.250324074,0,1.317962963,0,2.28587963,0,0.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.290277778,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.250324074,0,1.399305556,0,2.333333333,0,0.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.69047619,0.306319444,2.333333333,0.225625,0.916666667,4.605819444,0.416666667,0.333333333,1.739074074,0.416666667,0.333333333,1.739074074,3.5,0.5,0,0,0.44737,0.7,0.43333,0.43333,0.7,0.01404,0.01404,0,0,0.71429,0,0,0.14286,0.14286,0,4.5,0.64286,3.5,0.5,1,0.14286,-2.5,-0.35714,0,0,5.49873,0.78553,6.53706,1.03833,0.14833,2.91583,0.41655,3.43185,0.51602,0.07372,-0.01785,-0.00255,0.06815,0.00974,0.263157895,7,0,0,0,0,0,0,0.714285714,0.949452015,2.183754832,3.366091329,3.681880803,3.681880803,3.681880803,18.03958829,41.49134181,63.95573525,69.95573525,69.95573525,69.95573525,0.223509467,0.514075352,0.792407902,0.866747559,0.866747559,0.866747559,3.298475498,2.064172682,0.881836184,0.566046711,0.566046711,0.566046711,0.219682511,0.505273291,0.778840197,0.851907001,0.851907001,0.851907001,6.790838447,17.08973949,20.59546991,20.91373045,20.91373045,20.91373045,27.3155423,17.78709831,14.13567519,13.37360807,13.37360807,13.37360807,5.142857143,2.34375,1.185185185,2,2,2,2.23,0.9433,0,1.850535862,0.5,0,5.676240019,3.789291416,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.111,0.108,0.338,0.369,3.335,8,9,9,4,2,0,0,0,0,46,2.197224577,2.397895273,2.63905733,2.772588722,2.079441542,1.609437912,0,0,0,0,4.17438727,1.391304348,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,2,0.285714286,0,2,4,1,1,0.444444444,0.222222222,0.125,0,0,0,0,0,0,0.142857143,0.055555556,0.055555556,0.0625,0,0,0,0,0,0,0.316468254,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,0,114.6354337,3.807354922,3.433987204,4.17438727,4.934473933,5.693732139,6.459904454,7.22329568,7.990576882,8.755107122,9.522446728,72.18791141,2.708050201,0,3.850147602,2.397895273,5.176149733,4.442651256,6.577861358,6.259581464,8.017966703,8.436416881,96.09390038,5.057573704,13.58523637,1.940748052,0,0,0,43,4,3.402,30,1.289183317,2.278325914,3.099245891,3.888665705,4.264540543,4.50459913,0,0,0,0,93.25039473,100.320697,63.38229733,52.03588191,21.02898013,4.57696101,0,0,0,0,329.3246736,413.8095826,354.7649931,344.1006287,258.4851994,140.0198081,0,0,0,0,9.424376406,16.33852431,21.75623531,26.97810676,29.25205186,30.26398709,0,0,0,0,2.419832719,3.298561322,3.218496133,3.353089608,2.90304933,2.002802904,0,0,0,0,181.935245,343.3624998,500.7981652,652.6895397,740.7258889,832.9798944,0,0,0,0,2.73723274,4.101091792,4.818082687,5.622117823,5.504742726,4.50459913,0,0,0,0,0.498872458,0.690708758,0.689663971,0.727802702,0.643825869,0.461270951,0,0,0,0,310.4387034,120.223251,9.888661609,127.1783465,-49.25221665,-6.000760067,183.2603569,169.4754677,15.88942168,0.709384389,0.274722502,0.02259661,0.290615611,-0.112546384,-0.013712354,135.8532695,52.61174443,4.32744692,55.6554128,-21.55360975,-2.626034918,0.147631578,0.226330669,2.678048568,2.377343302,437.6170499,0,1,0,417.8976536,20.44254518,7.47635608,534.5667112,23.12069876,8.115849226,673.0294323,25.9428108,8.763508635,1.172096875,1.103305826,298.4022352,233.9799759,126.1400031,1.275332362,2.365643157,1.854922864,3.674889244,3.430647518,5.943161307,0.732373051,3.510139109,4.055083964,4.466857827,9.507153217,7.255491242,7.626915607,9.535300963,3.920921361,4.647150178,1.211139122,0.724277729,3.42E-14,3.11E-49,5.47E-106,1.85E-184,1.21E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.294596135,3.620109403,1.561472494,2.19560819,0.925814674,0.740793018,1.406082023,0.035313312,0.19067944,0.008530152,0.005101147,2.41E-16,2.19E-51,3.85E-108,1.31E-186,8.53E-287,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.950957009,3.654856135,2.117367077,3.150437764,1.870432406,1.94411513,2.375484005,0.307550947,0.746876524,0.088890759,0.053157887,2.51E-15,2.29E-50,4.01E-107,1.36E-185,8.89E-286,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.313285872,4.009337271,4.275847479,8.869356126,6.74509288,7.133791334,8.79355635,3.498770832,4.249284519,1.079103153,0.645318417,3.05E-14,2.77E-49,4.87E-106,1.65E-184,1.08E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.401528172,3.694754523,2.510003817,3.965526655,2.622034364,2.830219842,3.245807002,0.649098891,1.233639046,0.193082607,0.115466035,5.45E-15,4.96E-50,8.72E-107,2.96E-185,1.93E-285,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.23899804,4.246170277,5.189008038,12.08457472,9.284810472,9.533984727,12.55878152,5.693186759,6.262245377,1.766332584,1.056290999,4.99E-14,4.54E-49,7.98E-106,2.70E-184,1.77E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.098769643,3.556443319,2.996591212,5.162944027,4.118313273,4.394679725,5.075270737,1.389824597,2.167224255,0.423814602,0.253446918,1.20E-14,1.09E-49,1.91E-106,6.49E-185,4.24E-285,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.944207982,1.58924609,0.722951069,0.560118161,0.302344672,0.568980327,0.516396877,0.378615894,5.256405141,7.956536491,16.59568103,0.340177242,1.463993098,2.127775781,0.991813029,0.327237391,0.617314497,0.287746748,0.297366869,0.194246584,0.075369606,3.446826201,3.131201845,7.268615352,0.425971745,0.566983059,2.435348807,1.218771356,0.477334062,0.589465276,0.294998151,0.389137952,0.298204846,0.162482079,4.131454226,4.71236939,10.26061477,0.384197915,0.849824878,2.922240992,1.573358683,0.712405184,0.561105658,0.30210392,0.560491062,0.505817355,0.367445027,5.208004859,7.800421752,16.2838756,0.341658487,1.433753444,2.579317495,1.324151105,0.547129635,0.579543998,0.297522049,0.43646421,0.354177861,0.214561717,4.450598235,5.551109461,11.8703776,0.369315997,1.005203788,3.013603321,1.639381169,0.756236766,0.557123323,0.303071568,0.596230257,0.550494632,0.414990416,5.409221256,8.45920248,17.60456954,0.335684985,1.561715305,2.924145951,1.575547848,0.71362643,0.560898971,0.30221582,0.561177922,0.50689217,0.368311289,5.213320229,7.818232283,16.31932357,0.341348456,1.436381381 +UMLRON0252,L,3-ethylcyclopentene,CCC1CCC=C1,79095,,"Sandia, UML",[1],C7H12,PubChem,,90.8,0,2.1578,4.65610084,41.9878,26.508688,0,0,25,9,16,0,9,0,0,0,0,0,0,0,0,0,1314.634113,1492.090497,2177.180389,1900.768977,1136.352509,321.982416,30.48192,0,0,4308.992027,5647.437978,8601.319704,9713.500018,7144.953966,3459.006553,932.5123329,0,0,175.360068,181.746756,342.75298,477.094788,593.873204,305.591616,201.55392,0,0,32.21390648,42.91680896,67.87150539,83.66528733,70.02608745,36.28625294,13.33838715,0,0,4099.831637,3591.109968,7357.361947,10308.41291,14658.44847,7341.499081,5547.529561,0,0,43.84027778,52.41666667,84.58333333,121.6666667,120.6666667,67.5,30,0,0,52.58536452,59.68361988,45.35792477,28.36968622,13.21340127,7.317782182,1.016064,0,0,172.3596811,225.8975191,179.1941605,144.9776122,83.08086007,78.61378531,31.08374443,0,0,7.01440272,7.26987024,7.140687083,7.120817731,6.905502372,6.945264,6.718464,0,0,1.288556259,1.716672358,1.413989696,1.248735632,0.814256831,0.824687567,0.444612905,0,0,163.9932655,143.6443987,153.2783739,153.8569091,170.4470752,166.8522518,184.917652,0,0,1.753611111,2.096666667,1.762152778,1.815920398,1.403100775,1.534090909,1,0,0,0.045708597,-0.006822799,0.003243525,-0.033142027,0.010602458,-0.01917059,0.022435134,0,0,697.3402118,6.75E-13,147.7973838,-779.2776867,211.3328253,-399.2272713,470.704643,0,0,1296.733901,-1.28E-13,274.8355463,-1449.100135,392.9824129,-742.3801586,875.2953835,0,0,0.13660416,2.25E-15,0.028952493,-0.152655149,0.04139865,-0.078205882,0.092207808,0,0,5.797003881,1.49E-14,1.228642767,-6.478151837,1.756814232,-3.318784722,3.912977619,0,0,31.48941709,-1.44E-13,6.67400701,-35.18942359,9.543042789,-18.02769128,21.25535653,0,0,3.94,-1.590833333,1.801311111,-3.643366667,2.519733333,-3.137177778,2.080333333,0,0,0.001828344,-2.73E-04,6.76E-05,-4.95E-04,1.23E-04,-4.36E-04,7.48E-04,0,0,27.89360847,2.70E-14,3.079112162,-11.63101025,2.457358434,-9.073347075,15.69015477,0,0,51.86935606,-5.12E-15,5.725740548,-21.62836022,4.569562941,-16.87227633,29.17651278,0,0,0.005464166,9.01E-17,6.03E-04,-0.002278435,4.81E-04,-0.001777406,0.003073594,0,0,0.231880155,5.97E-16,0.025596724,-0.096688833,0.020428072,-0.075426925,0.130432587,0,0,1.259576683,-5.77E-15,0.139041813,-0.525215278,0.110965614,-0.409720256,0.708511884,0,0,0.1576,-0.063633333,0.037527315,-0.054378607,0.029299225,-0.071299495,0.069344444,0,0,-0.149267292,0.036958824,-0.270549279,0.067429542,-0.238300476,0.409024692,0,0,9.68E-16,0.110387731,-0.416977612,0.088097545,-0.325284091,0.5625,0,0,-9.86E-17,0.110387731,-0.416977612,0.088097545,-0.325284091,0.5625,0,0,1.65E-14,0.110387731,-0.416977612,0.088097545,-0.325284091,0.5625,0,0,2.58E-15,0.110387731,-0.416977612,0.088097545,-0.325284091,0.5625,0,0,-4.58E-15,0.110387731,-0.416977612,0.088097545,-0.325284091,0.5625,0,0,-0.403764805,0.23811748,-0.345041922,0.185908787,-0.452407963,0.44000282,0,0,1.399620093,0.943635608,1.39691872,0.781373718,1.296481521,0.062603584,0,0,1.333333333,1.041666667,1.523631841,0.726744186,1.183712121,0,0,0,1.333333333,1.041666667,1.523631841,0.726744186,1.183712121,0,0,0,1.333333333,1.041666667,1.523631841,0.726744186,1.183712121,0,0,0,1.333333333,1.041666667,1.523631841,0.726744186,1.183712121,0,0,0,1.333333333,1.041666667,1.523631841,0.726744186,1.183712121,0,0,0,1.769881557,0.669768754,1.49001187,0.633534018,1.57475773,0,0,0,36.79681867,18.11270238,26.14464575,36.79681867,4.088535407,18.11270244,-3.55E-15,0.008686927,9.65E-04,-4.271342398,49.21472324,5.468302582,3.506573548,36.79681867,18.11270238,26.14464575,36.79681867,4.088535407,18.11270244,-3.55E-15,0.008686927,9.65E-04,-4.271342398,49.21472324,5.468302582,3.506573548,36.79681867,18.11270238,26.14464575,36.79681867,4.088535407,18.11270244,-3.55E-15,0.008686927,9.65E-04,-4.271342398,49.21472324,5.468302582,3.506573548,36.79681867,18.11270238,26.14464575,36.79681867,4.088535407,18.11270244,-3.55E-15,0.008686927,9.65E-04,-4.271342398,49.21472324,5.468302582,3.506573548,36.79681867,18.11270238,26.14464575,36.79681867,4.088535407,18.11270244,-3.55E-15,0.008686927,9.65E-04,-4.271342398,49.21472324,5.468302582,3.506573548,36.79681867,18.11270238,26.14464575,36.79681867,4.088535407,18.11270244,-3.55E-15,0.008686927,9.65E-04,-4.271342398,49.21472324,5.468302582,3.506573548,50.92286693,24.12591432,35.90293001,50.8158196,5.646202178,24.12591432,-0.321141975,0.050181501,0.005575722,-2.692897952,53.32305149,5.924783499,3.578731851,0,11.8,12.20007214,-0.286120364,0.113978359,6.239117349,9.467505173,9,25,24,24,8,1,1,0,0,1,17.491312,3.730791365,3.134167085,2.861736208,2.333552793,2.206837882,2.065542529,1.141118225,0.734852168,2.018191952,1.615739888,1.403162414,1.249629723,1.095177019,0.926500828,0.424450339,0.240936834,3.749033441,3.163806698,2.897170614,2.405454588,2.275538238,2.130354404,1.24675585,0.866119967,1.973545242,1.541750788,1.323340744,1.134540686,0.982570579,0.815124336,0.272642291,0.072595156,3.830929374,3.300438402,3.056015719,2.704236987,2.563480057,2.405752813,1.680004843,1.392502242,1.847645534,1.328768028,1.088142906,0.76031856,0.61787149,0.458368968,0.24045732,0.513693675,3.762556386,3.186007452,2.923468261,2.457539916,2.325467669,2.177691614,1.323142085,0.960622206,1.945617891,1.494899938,1.272384423,1.058262671,0.908036139,0.74170038,0.170531509,0.041794944,3.871944388,3.370045007,3.134537096,2.838982085,2.694302192,2.532584193,1.869960559,1.615103742,1.80989791,1.264939007,1.015396963,0.631337262,0.49291749,0.337754903,0.424351724,0.731936664,3.745918162,3.239479108,2.992431756,2.62226806,2.391809046,2.247440123,1.40707218,1.106071186,1.96997161,1.433765456,1.176879293,0.889647739,0.811729514,0.636215782,0.054680105,0.208808998,0,0,0,2,0,3,2,1,1,0,0,0,0.072168784,0.216506351,0,0,0,0.048112522,0.144337567,1.495781916,0.25,0,0,1.442809042,0.25,0,0,1.444814383,2.430412943,2.198259192,1.239532453,2.000478695,1.611704494,6.905777394,4.100953631,4.365737948,2.451524386,2.076524386,1.045385138,0.637136847,0,0.767308599,0.455661515,0.335825996,0.204293699,0.14832317,0.087115428,0.079642106,0,6.64626437,3.767620298,3.977898087,2.009613738,1.64238095,0.712215377,0.424757898,0,0.738473819,0.418624478,0.305992161,0.167467811,0.117312925,0.059351281,0.053094737,0,13.33462243,24.10269483,22.80392157,23.08,15.38843593,190.9687353,0.533384897,0.964107793,0.912156863,0.9232,0.615537437,7.638749413,2.92489,41.049,35.38050655,47.99921715,70.7610131,7.862334788,35.38050655,0.102065305,0.011340589,-2.05392818,36.32784657,4.036427397,3.233326113,61,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,6,2,0,2,0,0,0,0,0,0,0,0,3,0,2,0,2,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.638310185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.537986111,0,0,1.518611111,0.580555556,0,0.537986111,0,0,0,0,0,0,0,0,6.969652778,0,2.611944444,0,4.638310185,0,0.799768519,0,0,0,0,0,0.563657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.313657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.268541667,0,0,0.225625,0.290277778,0,0.268541667,0,0,0,0,0,0,0,0,2.289097222,0,1.26125,0,2.313657407,0,0.799768519,0,0,0,0,0,0.563657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.324652778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.269444444,0,0,0.290277778,0.290277778,0,0.269444444,0,0,0,0,0,0,0,0,2.340277778,0,1.350694444,0,2.324652778,0,0.799768519,0,0,0,0,0,0.563657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.58333333,1.731481481,0.290277778,2.340277778,0.043402778,0.563657407,6.046571759,0.686342593,0.340277778,3.215925926,0.686342593,0.340277778,3.215925926,4.5,0.5,0,0,0.444,0.7,0.43333,0.43333,0.7,0.01067,0.01067,0,0,0.71429,0,0,0.33333,0.11111,0.11111,5.5,0.61111,4.5,0.5,1,0.11111,-3.5,-0.38889,0,0,9.43553,1.04839,10.70711,1.27158,0.14129,3.58493,0.39833,4.10095,0.51602,0.05734,0.31305,0.03478,0.39905,0.04434,0.24,9,0,0,0,0,0,0,0.777777778,0.942683189,2.161541933,3.182683189,3.59326969,3.59326969,3.59326969,23.56707973,54.03854833,79.56707973,89.83174224,89.83174224,89.83174224,0.202995776,0.46546272,0.685353521,0.773768511,0.773768511,0.773768511,3.701173001,2.482314256,1.461173001,1.0505865,1.0505865,1.0505865,0.200552128,0.459859516,0.677103288,0.764453946,0.764453946,0.764453946,6.78267514,17.58500857,20.7048025,21.11860186,21.11860186,21.11860186,35.24630968,21.70460118,18.01012261,17.0890857,17.0890857,17.0890857,7.111111111,2.319526627,2,0,2,0,2.45,1.2251,0.944940787,4.559014114,1.44224957,2.080083823,3.532775529,2.555772417,2.555772417,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.162,0.155,0.259,0.348,3.921,13,12,14,12,8,0,0,0,0,77,2.397895273,2.772588722,2.833213344,3.091042453,3.135494216,2.833213344,0,0,0,0,4.700480366,1.415584416,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,4,0.333333333,3.5,1.111111111,0.8125,0.333333333,0,0,0,0,0,0,0.388888889,0.085470085,0.090277778,0.066666667,0,0,0,0,0,0,0.631303419,18.63289832,26.56578181,37.26579663,4.14064407,18.63289835,0.040935541,0.004548393,-2.876180948,151.3799242,16.81999158,4.517813458,0,149.2274029,4.169925001,3.80666249,4.553876892,5.433722004,6.196444128,7.079184395,7.845807503,8.728911725,9.496646498,10.37975279,81.52100842,2.944438979,0,4.262679877,0,5.765191103,0,7.351799869,0,8.974491448,9.197457746,124.1252005,4.96500802,17.31070842,1.923412046,0,0,0,82,9,4.516,44,1.273519207,2.228991561,3.088085914,3.67329423,4.247137677,4.112932112,0,0,0,0,89.71190196,115.3174392,91.67336158,48.44052459,28.67616163,4.179002253,0,0,0,0,319.702965,437.9570638,460.9242908,309.0954275,315.7556763,127.8453306,0,0,0,0,9.302169193,15.99553822,22.0261519,25.39170888,29.4109912,27.63258633,0,0,0,0,2.359936692,3.380672103,3.94180083,3.027665272,3.357601676,1.828662694,0,0,0,0,180.2038702,336.0973432,472.4060701,624.0002239,715.5346045,760.553749,0,0,0,0,2.726735587,4.109155144,5.697888857,5.219624062,6.311799284,4.112932112,0,0,0,0,0.486940954,0.704235713,0.834887143,0.658414366,0.737137404,0.421164248,0,0,0,0,304.753337,145.5182787,9.651950028,63.65207055,-30.39356298,-3.976974113,241.1012664,175.9118416,13.62892414,0.827222757,0.394994959,0.026199263,0.172777243,-0.082500317,-0.010795102,112.2727773,53.60972075,3.555830583,23.44976699,-11.19715295,-1.465138769,0.119718145,0.18256316,2.982110311,1.860202324,368.4054075,0,1,0,547.4607859,23.39787994,8.180584573,702.8779878,26.51184618,8.89119184,1025.428384,32.02231072,10.08405281,1.499819299,1.499819299,406.9357687,330.4995948,223.8172413,1.231274637,1.818160953,1.476649399,3.968456639,4.090940536,6.281368163,0.535433749,4.626301241,5.330819168,6.003186785,20.07714993,13.09072883,20.00883863,13.08443129,13.20422625,3.883982691,3.552467059,1.99255766,0.008396101,3.73E-23,3.20E-65,5.28E-129,1.68E-214,1.033E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0.388386608,5.127475763,0.406798677,7.78431956,4.340299554,3.409618901,0.74938913,1.707090504,0.186215316,0.061557494,0.01403375,5.91E-05,2.63E-25,2.25E-67,3.72E-131,1.19E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,0,1.253435334,5.168943742,1.133163792,9.751769757,5.765316812,5.951352078,2.185706098,3.40163188,0.693204696,0.354602059,0.146242467,6.16E-04,2.74E-24,2.35E-66,3.88E-130,1.24E-215,7.4E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,4.366859144,5.318356924,5.51342103,19.13292836,12.42727731,18.69317504,11.94668003,12.26962863,3.569943255,3.190342205,1.775333004,0.007480775,3.32E-23,2.85E-65,4.70E-129,1.50E-214,9.2E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,1.847264165,5.197421714,1.755302857,11.26322791,6.850774025,7.947521964,3.492820752,4.758553621,1.114815082,0.680333475,0.317658172,0.001338526,5.95E-24,5.09E-66,8.42E-130,2.68E-215,1.63E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,5.58689855,5.376976813,7.983656797,23.79079671,15.69224909,25.22017581,17.73143569,16.92662128,5.146266129,5.061765201,2.905958074,0.012244924,5.44E-23,4.66E-65,7.70E-129,2.45E-214,1.507E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,2.838251723,4.232499148,2.760477346,13.18459937,8.304427239,11.25088701,5.615030851,7.570874006,1.984744866,1.343455237,0.664622752,0.002800541,1.24E-23,1.07E-65,1.76E-129,5.61E-215,3.46E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,2.74078558,1.830858096,1.107494665,0.482605884,0.322383078,0.464122404,0.463405693,0.430914068,5.679138342,10.08106045,21.31759536,0.223908826,1.358442164,2.089933273,1.221067767,0.596615476,0.534835817,0.312484033,0.265303109,0.200276669,0.125932018,3.907616515,4.527344614,9.957494085,0.302253726,0.591511795,2.334393723,1.458399596,0.792767723,0.509074833,0.318041693,0.332122449,0.290399213,0.221787277,4.585561043,6.411282989,13.69580499,0.26361225,0.844308939,2.723201817,1.815262776,1.094135935,0.483471498,0.322277919,0.457842936,0.455478205,0.420661089,5.632600528,9.90902409,20.95029621,0.225207247,1.333982229,2.449146059,1.566231934,0.882976189,0.499993665,0.319746567,0.366666363,0.336764038,0.274785925,4.898354182,7.381413926,15.66680364,0.249990497,0.978216326,2.796350994,1.879855073,1.149569325,0.479996362,0.322678948,0.484312948,0.48865744,0.464001149,5.825775393,10.63235766,22.5011139,0.219994543,1.436971538,2.732355517,1.819003638,1.094212308,0.483982097,0.322200091,0.460552125,0.457753254,0.420397898,5.645571464,9.950317834,21.03430461,0.225973146,1.338703277 +UMLRON0253,L,"3,5,5-trimethylcyclohexene",CC1CC(CC=C1)(C)C,79132,,UML,[1],C9H16,PubChem,,95.5,0,1.3917,1.93682889,33.5454,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1238.953135,1180.454694,656.906882,178.815168,18.289152,0,0,3399.790734,4147.41404,5371.798596,5782.521753,4702.819334,2402.602963,559.5073998,0,0,146.842108,144.889944,254.804092,303.805464,335.706248,307.120896,120.932352,0,0,25.74688067,32.32302034,44.45683953,49.90736261,45.42900437,28.03475758,8.003032287,0,0,3476.407621,2904.481805,5677.860524,6807.841654,7837.74268,7939.753089,3328.517736,0,0,41.80555556,46.38888889,64.33333333,84.5,87,57,18,0,0,48.76541633,51.7541979,34.41536486,27.45243474,13.68556004,3.9736704,1.016064,0,0,161.8947969,207.370702,149.2166277,134.4772501,97.97540278,53.39117695,31.08374443,0,0,6.992481333,7.2444972,7.077891444,7.065243349,6.993880167,6.8249088,6.718464,0,0,1.226041937,1.616151017,1.234912209,1.16063634,0.946437591,0.622994613,0.444612905,0,0,165.54322,145.2240902,157.7183479,158.3218989,163.2863058,176.4389575,184.917652,0,0,1.990740741,2.319444444,1.787037037,1.965116279,1.8125,1.266666667,1,0,0,0.041679523,-0.009199836,0.003555827,-0.010129686,-0.031613549,0.016686064,0.009861419,0,0,564.9747087,-53.80711511,40.35533633,-188.3249029,-443.9086997,121.066009,242.132018,0,0,1050.594596,-100.0566282,75.04247115,-350.1981987,-825.4671826,225.1274134,450.2548269,0,0,0.110674667,-0.010540444,0.007905333,-0.036891556,-0.086958667,0.023716,0.047432,0,0,4.696646663,-0.447299682,0.335474762,-1.565548888,-3.690222378,1.006424285,2.01284857,0,0,25.51225921,-2.429738973,1.822304229,-8.504086404,-20.04534652,5.466912688,10.93382538,0,0,5.793650794,-2.250566893,1.008503401,0.87755102,-4.853741497,0.596938776,1.724489796,0,0,0.001984739,-4.60E-04,9.88E-05,-2.36E-04,-6.59E-04,3.71E-04,5.48E-04,0,0,26.90355756,-2.690355756,1.120981565,-4.379648904,-9.24809791,2.690355756,13.45177878,0,0,50.0283141,-5.00283141,2.084513087,-8.144144155,-17.19723297,5.00283141,25.01415705,0,0,0.005270222,-5.27E-04,2.20E-04,-8.58E-04,-0.001811639,5.27E-04,0.002635111,0,0,0.223649841,-0.022364984,0.009318743,-0.036408114,-0.076879633,0.022364984,0.111824921,0,0,1.214869486,-0.121486949,0.050619562,-0.197769451,-0.417611386,0.121486949,0.607434743,0,0,0.275888133,-0.112528345,0.028013983,0.020408163,-0.101119615,0.013265306,0.095804989,0,0,-0.231764353,0.049766225,-0.118692725,-0.331839876,0.186826265,0.276034568,0,0,-0.1,0.041666667,-0.162790698,-0.34375,0.1,0.5,0,0,-0.1,0.041666667,-0.162790698,-0.34375,0.1,0.5,0,0,-0.1,0.041666667,-0.162790698,-0.34375,0.1,0.5,0,0,-0.1,0.041666667,-0.162790698,-0.34375,0.1,0.5,0,0,-0.1,0.041666667,-0.162790698,-0.34375,0.1,0.5,0,0,-0.407876712,0.101541096,0.073972603,-0.366523973,0.048082192,0.347260274,0,0,1.543066173,0.904401735,1.259012003,1.420022589,0.539585053,1.59E-05,0,0,1.5,1.071428571,1.245847176,1.294642857,0.571428571,0,0,0,1.5,1.071428571,1.245847176,1.294642857,0.571428571,0,0,0,1.5,1.071428571,1.245847176,1.294642857,0.571428571,0,0,0,1.5,1.071428571,1.245847176,1.294642857,0.571428571,0,0,0,1.5,1.071428571,1.245847176,1.294642857,0.571428571,0,0,0,1.783561644,0.624619482,1.089359669,1.755993151,0.460273973,0,0,0,25.60245005,12.80122502,19.00972375,25.60245005,3.657492864,12.80123284,0,0.037904989,0.005414998,-2.290870769,32.90747777,4.701068253,2.445589944,25.60245005,12.80122502,19.00972375,25.60245005,3.657492864,12.80123284,0,0.037904989,0.005414998,-2.290870769,32.90747777,4.701068253,2.445589944,25.60245005,12.80122502,19.00972375,25.60245005,3.657492864,12.80123284,0,0.037904989,0.005414998,-2.290870769,32.90747777,4.701068253,2.445589944,25.60245005,12.80122502,19.00972375,25.60245005,3.657492864,12.80123284,0,0.037904989,0.005414998,-2.290870769,32.90747777,4.701068253,2.445589944,25.60245005,12.80122502,19.00972375,25.60245005,3.657492864,12.80123284,0,0.037904989,0.005414998,-2.290870769,32.90747777,4.701068253,2.445589944,25.60245005,12.80122502,19.00972375,25.60245005,3.657492864,12.80123284,0,0.037904989,0.005414998,-2.290870769,32.90747777,4.701068253,2.445589944,36.87830812,18.22665406,27.80477885,36.57473669,5.224962384,18.22665409,-0.425,0.002665235,3.81E-04,-4.149224196,26.15705907,3.736722724,2.28488337,0,11.89,12.11009426,-0.153635256,0.068925155,5.531742889,8.314258989,6,20,19,19,5,1,1,0,0,1,15.304898,3.5799412,3.009266414,2.60071228,2.333552793,1.684176796,1.284852097,0.364199518,0.083923071,1.908511511,1.611874174,1.284185346,1.249629723,0.802079185,0.496882737,0.083923071,0.083923071,3.600072227,3.051423842,2.649777396,2.405454588,1.774390328,1.38492678,0.488581435,0.270913902,1.856472375,1.527892799,1.191437023,1.134540686,0.666409121,0.35239118,0.270913902,0.270913902,3.692038454,3.235297648,2.861889454,2.704236987,2.146291337,1.792729205,0.959945994,0.943918427,1.711082988,1.271514675,0.903236254,0.76031856,0.21522734,0.132461298,0.943918427,0.943918427,3.615085613,3.082436918,2.685783708,2.457539916,1.839650248,1.457034622,0.57614823,0.399277246,1.824002405,1.473548589,1.130999652,1.058262671,0.575706228,0.255496237,0.399277246,0.399277246,3.738900441,3.323272602,2.962054629,2.838982085,2.311357786,1.971500958,1.207644823,1.207644823,1.6681969,1.189052704,0.808874618,0.631337262,0.056211821,0.305372287,1.148101453,1.207644823,3.624357324,3.07721543,2.868735919,2.529124506,1.897034744,1.455889209,0.6186758,0.518518519,1.859479744,1.46914776,0.973568951,0.952239794,0.488844544,0.216641029,0.518518519,0.518518519,0,0,1,0,1,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.433012702,0,0.144337567,0,1.276142375,0.707106781,0.23570226,0.841260992,0.49279928,0.144337567,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,5.491563832,2.857589235,2.166502219,1.270620726,0.40824829,0,0,0,0.784509119,0.476264873,0.309500317,0.211770121,0.204124145,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,5,2,0,1,0,0,0,0,0,0,0,0,3,1,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.219907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.347569444,0,0,0,1.310763889,0.580555556,0,0.347569444,0,0,0,0,0,0,0,0,6.486111111,3.872685185,1.122685185,0,0,0,0.671296296,0,0,1.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.347569444,0,0,0,0.243402778,0.290277778,0,0.347569444,0,0,0,0,0,0,0,0,2.141203704,3.872685185,1.122685185,0,0,0,0.671296296,0,0,1.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.872685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.347569444,0,0,0,0.290277778,0.290277778,0,0.347569444,0,0,0,0,0,0,0,0,2.172453704,3.872685185,1.122685185,0,0,0,0.671296296,0,0,1.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.5,1.928571429,0.347569444,3.872685185,0.041666667,0.671296296,4.669990741,0.662037037,0.872685185,2.717592593,0.662037037,0.872685185,2.717592593,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0.28571,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.18136,0.88305,7.55695,1.37559,0.19651,2.69442,0.38492,3.18073,0.4863,0.06947,0.23327,0.03332,0.23327,0.03332,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.022106113,2.748063851,3.141619208,2.932461236,2.304987318,19.28421252,42.46422837,57.70934087,65.97400337,61.58168595,48.40473368,0.209068641,0.460373402,0.62565238,0.715253226,0.667634179,0.524777036,3.474021589,2.37021131,1.644253572,1.250698215,1.459856187,2.087330105,0.209068641,0.460373402,0.62565238,0.715253226,0.667634179,0.524777036,6.73287657,15.64275278,17.81640094,18.21303588,15.70314021,8.173453201,27.64912502,18.42100773,16.36808494,15.95461758,14.69966974,10.93482624,7,3.06122449,2.666666667,7,2,5,2.23,1.0519,1.944161297,1.941967087,4.930998067,0,0,1.414213562,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.108,0.104,0.16,2.909,7,6,2,0,0,0,0,0,0,28,2.079441542,2.302585093,2.302585093,1.098612289,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,2,1.111111111,0.25,0,0,0,0,0,0,0,0.333333333,0.158730159,0.041666667,0,0,0,0,0,0,0,0.533730159,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,0,126.9918924,3.807354922,3.295836866,3.970291914,4.691347882,5.398162702,6.120297419,6.834108739,7.556427969,8.272059622,8.994296558,68.13282967,2.564949357,0,3.713572067,0,5.056245805,0,6.463029457,0,7.890956716,8.168486417,98.10955045,4.671883355,12.50524286,1.786463266,0,0,0,46,6,3.28,26,1.2229,2.118170782,2.937252896,3.596493675,4.165393204,5.350850018,0,0,0,0,73.6156376,83.24919968,87.72960659,55.60275891,19.05563552,5.436806073,0,0,0,0,277.7186352,345.2496554,415.7362423,370.2101086,241.2794076,166.3244545,0,0,0,0,8.892335553,15.0567824,20.80134703,25.19231944,28.51853865,35.94949322,0,0,0,0,2.107286619,2.7927084,3.537141069,3.511573516,2.746025002,2.37905697,0,0,0,0,175.5375183,329.4515686,461.4835413,584.4856961,727.7600699,989.4666217,0,0,0,0,2.895441667,3.969636728,5.908540365,6.559620898,5.50190906,5.350850018,0,0,0,0,0.4370085,0.586958034,0.749614665,0.757400435,0.610440846,0.547927042,0,0,0,0,322.4067315,133.2911573,9.162750239,154.2870841,-63.78621157,-8.951339249,168.1196474,197.0773688,18.11408949,0.676339237,0.279615873,0.019221458,0.323660763,-0.133809606,-0.018777964,153.689295,63.53907033,4.367826372,73.54769879,-30.40649257,-4.267048061,0.129282117,0.239970204,1.607311699,5.735521869,476.6938155,0,1,0,395.3145785,19.88251942,7.339181199,531.3577082,23.05119754,8.099576812,658.1364023,25.6541693,8.69838523,1.320009711,1.287571784,365.7387638,287.8380343,114.2408601,1.270640847,3.201470677,2.519571667,3.830784267,3.19886722,6.397722307,0.999996207,4.068248461,4.94524837,5.12684837,9.180654402,9.793591287,11.45488133,6.837964905,11.83108766,3.897115152,3.751631058,0.624902428,0.702632337,3.53E-16,3.42E-53,6.38E-112,2.30E-192,1.60E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0.341406595,4.914012639,0.293192234,6.473538476,1.064419146,1.606435715,0.521485441,0.763410358,0.578851619,0.133458653,0.004401282,0.004948697,2.48E-18,2.41E-55,4.49E-114,1.62E-194,1.12E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,1.102091888,4.916100373,1.036778692,7.005058511,1.69373506,3.138278108,1.278345634,2.147022718,0.868484744,0.550343674,0.045864414,0.051569238,2.59E-17,2.51E-54,4.68E-113,1.69E-193,1.17E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,3.840078807,4.941819137,4.744946773,9.00747636,8.851483346,10.68271198,6.262905044,10.84379656,3.556819716,3.416336093,0.556776843,0.626032763,3.14E-16,3.04E-53,5.69E-112,2.05E-192,1.42E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,1.624291139,4.918806776,1.619398754,7.376183513,2.467940096,4.331897238,1.956007179,3.356794147,1.182423537,0.932030012,0.09962353,0.112015276,5.62E-17,5.45E-54,1.02E-112,3.66E-193,2.55E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,4.913075095,4.959667718,6.63849172,9.830314048,13.74472189,14.50605273,9.181032171,15.83826397,5.312803734,5.122280851,0.91136132,1.02472323,5.14E-16,4.98E-53,9.31E-112,3.35E-192,2.33E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,2.256420595,3.496333382,2.378339347,7.340469124,3.245838192,6.968716087,2.667818172,4.243881472,1.607123438,1.382989399,0.168012327,0.188910752,9.48E-17,9.19E-54,1.72E-112,6.18E-193,4.29E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,3.725451274,1.581938158,0.528481043,0.638371138,0.271071499,0.559481677,0.511724148,0.394073147,5.835870475,8.698288228,17.6487266,0.457556706,1.465278972,2.748586938,0.980336768,0.186340743,0.70201821,0.250388392,0.30512338,0.198249001,0.049108814,3.915264449,3.389391248,7.806758437,0.553027314,0.552481196,3.136522024,1.219259033,0.322285765,0.670473968,0.260633095,0.396984921,0.305443228,0.14676993,4.678066822,5.22803904,11.13860166,0.505710952,0.849198078,3.701262902,1.56704316,0.520015619,0.639436283,0.270724961,0.552260558,0.502220527,0.38157211,5.788321681,8.539640152,17.34407255,0.459154425,1.436053195,3.309460707,1.325764,0.382854528,0.659507463,0.264197502,0.441820783,0.360580891,0.207031222,5.018079236,6.162180634,12.86005856,0.489261195,1.009432896,3.801179668,1.628570573,0.554982812,0.635146068,0.272120838,0.582392434,0.54204824,0.434506901,5.984733053,9.203907409,18.62425565,0.452719102,1.558947575,3.698260329,1.573627661,0.51917256,0.638615379,0.271733933,0.551526712,0.506947894,0.380283713,5.79106055,8.556704334,17.36918551,0.457923069,1.438758319 +UMLRON0254,L,2-Ethyl-3-Methyl-1-Butene,CCC(=C)C(C)C,81818,,"Sandia, UML",[1],C7H14,PubChem,,97,0,0.3401,0.11566801,31.719,21.925516,0,0,21,9,12,0,7,0,2,0,0,0,0,0,0,0,1533.977617,1587.361749,1835.288765,1649.928564,1273.507338,692.998491,324.940057,76.792464,6.096384,3770.404799,4826.129313,5918.509592,5245.349781,4103.270915,3283.653005,2371.75072,1071.022993,186.5024666,160.108612,160.756332,289.480172,333.608376,244.68672,187.768236,181.090468,143.083584,40.310784,26.14406286,34.11395172,45.05843651,40.21634825,29.30843177,26.36183343,23.26926229,12.68152803,2.667677429,3477.474889,3058.266694,6006.696123,7392.131951,5026.742114,3883.978882,4304.604196,3724.295171,1109.505912,90.80555556,55.80555556,101.75,109,111.4166667,70.25,37,24.5,6,73.04655319,75.58865471,48.29707276,37.49837645,42.4502446,28.87493712,12.4976945,3.656784,1.016064,179.5430857,229.8156816,155.7502524,119.212495,136.7756972,136.8188752,91.22118153,51.00109489,31.08374443,7.624219619,7.655063429,7.617899263,7.582008545,8.156224,7.8236765,6.965018,6.813504,6.718464,1.244955374,1.624473891,1.185748329,0.914007915,0.976947726,1.098409726,0.894971627,0.603882287,0.444612905,165.5940423,145.6317473,158.0709506,168.0029989,167.5580705,161.8324534,165.5616999,177.3473891,184.917652,4.324074074,2.657407407,2.677631579,2.477272727,3.713888889,2.927083333,1.423076923,1.166666667,1,0.267190446,-0.162950503,0.035769029,0.037475553,-0.012478544,-0.047597501,0.003898193,0.008245397,0.004043154,751.701177,23.55958476,-73.33320653,220.8998048,-309.1760712,-557.5467739,-100.9300336,264.898665,155.7774423,1018.843734,-53.60334839,-352.3513046,226.8731107,-74.11378468,-458.4294915,-288.1000438,283.4622295,206.8407658,1.933471238,0.001383619,0.712137569,-0.271005642,-1.245007293,-0.927048272,0.252488372,0.370822095,0.139493932,4.548872301,-0.569345339,-1.785416275,0.173024958,0.511190705,-0.686013588,-1.432188613,0.790694985,0.723617017,25.57408015,-3.679573811,-9.715784514,-0.707339888,3.692264117,-1.706775385,-7.902382457,3.605386853,3.627165011,37.36507937,0.238095238,10.21371882,-2.894557823,-20.15249433,-17.03231293,3.462018141,5.357142857,2.12585034,0.012723355,-0.007759548,9.41E-04,8.52E-04,-4.16E-04,-0.001983229,1.50E-04,3.93E-04,6.74E-04,35.79529414,1.121884989,-1.929821225,5.020450108,-10.30586904,-23.23111558,-3.88192437,12.61422214,25.96290705,48.51636829,-2.5525404,-9.272402753,5.15620706,-2.470459489,-19.10122881,-11.08077092,13.49820141,34.47346096,0.092070059,6.59E-05,0.018740462,-0.006159219,-0.041500243,-0.038627011,0.009711091,0.017658195,0.023248989,0.216612967,-0.027111683,-0.046984639,0.003932385,0.01703969,-0.028583899,-0.055084177,0.037652142,0.120602836,1.21781334,-0.175217801,-0.25567854,-0.016075907,0.123075471,-0.071115641,-0.303937787,0.171685088,0.604527502,1.779289494,0.011337868,0.268782074,-0.065785405,-0.671749811,-0.709679705,0.133154544,0.255102041,0.35430839,-0.609866503,0.073981293,0.066941239,-0.032691964,-0.155873139,0.01178388,0.030859623,0.052962367,0.031341689,-0.053912708,0.140254473,-0.287911282,-0.648999153,-0.108447897,0.352398896,0.725316209,-0.052611943,-0.191119061,0.10627768,-0.050920124,-0.393706897,-0.228392423,0.278219535,0.710553205,7.16E-04,0.203545676,-0.066897091,-0.450746351,-0.419539335,0.105475019,0.191790852,0.252514106,-0.125161865,-0.216905938,0.01815397,0.078664221,-0.131958395,-0.254297692,0.173822199,0.556766467,-0.143879029,-0.209948874,-0.013200633,0.101062672,-0.058396175,-0.249576661,0.140978164,0.496404073,0.006372133,0.151061463,-0.036972851,-0.377538233,-0.398855671,0.074835795,0.143372982,0.199129142,1.551729417,0.937560508,1.243862393,1.869424653,1.121594427,0.111946097,0.054496703,6.71E-05,0.950545234,1.021715061,0.839619557,1.44718026,1.677252637,0.867224789,0.383466743,0,1.310951533,1.23276712,0.784341899,0.896060845,1.343704499,1.18980418,0.526103889,0,0.679257952,0.708216271,1.18367513,2.403545796,1.762697543,0.066047809,0.029204813,0,1.500880979,1.297332502,0.846465556,0.76901665,1.11795638,1.191329923,0.526778537,0,1.532055428,1.296707418,0.878612534,0.787465286,1.068882421,1.151056929,0.508970751,0,0.526762957,0.493393105,0.997866301,2.706527896,2.189358539,0.069480753,0.035046729,0,38.04700796,19.27350398,29.4042168,38.43589685,4.270655205,19.273504,0.5,9.43E-04,1.05E-04,-6.270038424,43.06239309,4.784710344,3.38638506,38.06021616,19.27937366,29.41328113,38.44796262,4.271995847,19.27937368,0.498531158,0.00127026,1.41E-04,-6.001680466,43.09665531,4.788517257,3.387100852,49.86076561,24.53138833,38.04390982,49.41743841,5.49082649,24.53138833,-0.797988956,0.216694553,0.024077173,-1.376339857,54.59571466,6.066190518,3.599959854,38.07407874,19.28553417,29.42279638,38.46062621,4.273402912,19.28553419,0.4969896,0.001613782,1.79E-04,-5.786257461,43.13277488,4.792530543,3.387854832,62.49726325,30.16633736,47.92531275,61.29471407,6.810523785,30.16633736,-2.164588529,0.329748891,0.036638766,-0.998481465,36.88477027,4.098307808,3.247018862,39.43183084,19.88904961,30.36366215,39.70115069,4.411238965,19.88904962,0.346268372,0.034186235,0.003798471,-3.038338973,47.63727007,5.293030008,3.477253896,35.84429084,18.09362364,28.18209227,36.37582728,4.041758587,18.09362372,1.228911565,0.241897402,0.026877489,-1.27731744,38.73016999,4.303352221,3.290956994,0,11.9,15.99591815,-0.315716656,0.264595025,4.277932207,7.590818162,9,21,20,20,8,1,1,0,0,1,15.992484,3.718256405,3.249042579,2.853948838,2.028500884,1.937578966,1.771635806,1.001278941,0.921882463,1.979780424,1.648725365,1.078796816,0.944577813,0.836382436,0.578838767,0.24742689,0.083923071,3.69117741,3.167539901,2.757348098,2.095899225,1.920716384,1.735223575,1.042415119,0.60421146,1.949284373,1.611009745,1.152501273,0.824985323,0.729668438,0.528266381,0.163734017,0.270913902,3.810376222,3.391881871,2.997799223,2.386450742,2.284043973,2.100825742,1.552993003,1.226712891,1.794919669,1.3414789,0.868035221,0.442532316,0.294227471,0.080647084,0.395593119,0.943918427,3.696422563,3.164907155,2.728325965,2.145396886,1.954904833,1.757352351,1.118398253,0.459592348,1.934113309,1.592529891,1.183228313,0.746119641,0.662530616,0.476086024,0.074550044,0.399277246,3.842662164,3.438526744,3.019560763,2.521841838,2.411468269,2.219537458,1.748840245,1.208936353,1.758753139,1.284185786,0.84929841,0.314197015,0.161929115,0.035954479,0.585676236,1.207644823,5.129930127,3.595784525,3.466619552,2.682268737,2.218588382,2.111240345,1.663443014,1.341615228,1.87875259,1.32747258,0.718758003,0.627679291,0.429062625,0.088026106,0.360261287,0.636363636,0,0,1,0,0,2,3,1,0,0,0.204124145,0.11785113,0.201184464,0.142258898,0,0.204124145,0.102062073,0.083333333,0.046473128,0.402368927,0,0.11785113,0,0.19245009,0,0.024056261,0,1.020220057,1.123773448,1.020220057,0.424037348,0.338579069,0.267777172,6.690234444,4.342535255,3.456942334,2.698584704,1.495781916,0.804737854,0.284517797,0.11785113,0.743359383,0.482503917,0.314267485,0.207583439,0.149578192,0.100592232,0.071129449,0.058925565,5.722273975,3.509201922,2.37987538,1.725101515,0.699936434,0.36785113,0.142258898,0.058925565,0.635808219,0.389911325,0.216352307,0.132700117,0.069993643,0.045981391,0.035564725,0.029462783,11.68056503,20.98834669,20.05098039,20.36,12.75180599,161.2212671,0.556217382,0.99944508,0.95480859,0.96952381,0.607228857,7.677203194,1.3496,33.974,28.63198205,42.64215309,57.2639641,6.362662678,28.63198205,0.180717926,0.02007977,-1.539736095,47.42710371,5.26967819,3.473274486,81,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,1,0,0,0,0,0,0,0,0,0,0,1,0,4,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.6099537,0.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.487569444,0.5125,0,0,0,0,0,0,0,0,0,0,1.843815193,0,3.802064437,0,0,0,0.240694444,0,0,0.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.80310185,4.806851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.806851852,0.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305625,0.5125,0,0,0,0,0,0,0,0,0,0,1.843815193,0,0.523148148,0,0,0,0.240694444,0,0,0.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.80310185,4.806851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.80310185,0.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,1.843815193,0,1.19789777,0,0,0,0.240694444,0,0,0.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.80310185,4.806851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.5,2.388888889,0.555902778,10.80310185,0.203055556,0.003472222,2.730928777,1.663194444,3.803101852,10.21990741,1.663194444,3.803101852,10.21990741,4.16666,0.46296,0,0.03704,0.54444,0.87037,0.43333,0.54444,0.87037,0.11111,0,-0.11111,0,0.53191,0.18238,0,0.2,0.24,0,6.75,0.75,5.25,0.58333,1.5,0.16667,-3.75,-0.41667,0,0,6.63077,0.73675,9.56078,2.93001,0.32556,3.28896,0.36544,4.34252,1.05356,0.11706,0.07148,0.00794,0.15748,0.0175,0.19047619,9.02,2,2,2,2,0,0,0.857142857,1.312744353,2.117344208,3.236857303,3.499227542,3.499227542,3.499227542,27.56763142,44.46422837,67.97400337,73.48377838,73.48377838,73.48377838,0.298872833,0.482056282,0.736936107,0.796670005,0.796670005,0.796670005,3.07957307,2.274973215,1.155460119,0.893089881,0.893089881,0.893089881,0.294374814,0.474801362,0.72584526,0.784680166,0.784680166,0.784680166,11.97240834,22.00807466,24.57835776,24.84278106,24.84278106,24.84278106,32.89486864,21.12137959,18.65498944,18.02554045,18.02554045,18.02554045,7.111111111,3.239669421,1.704142012,5,3,2,2.01,1.0607,0,1.142976172,0.577350269,0,2.575122657,4.298279727,0,1,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.428,0.426,0.669,0.273,3.985,11,13,10,8,4,2,0,0,0,66,2.397895273,2.63905733,2.833213344,2.63905733,2.397895273,1.609437912,1.098612289,0,0,0,4.356708827,1.166666667,0.5,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,4,0.444444444,0,3,6,1,1.5,1,0.5,0.262222222,0.090277778,0.04,0,0,0,0,0.166666667,0.111111111,0.0625,0.043703704,0.030092593,0.04,0,0,0,0,0.454074074,22.13476893,33.45423051,44.26953785,4.918837539,22.13476893,0.102912141,0.011434682,-2.046491685,74.46950211,8.274389123,3.879350707,26.3,132.2158871,4.169925001,3.713572067,4.48863637,5.293304825,6.09356977,6.906754779,7.715569535,8.530898838,9.343209045,10.15917574,80.24469096,2.944438979,0,4.262679877,0,5.746203191,0,7.304515946,0,8.898228986,9.128479345,128.0837296,6.09922522,17.23351841,1.914835379,5.309704203,5.309704203,0,96,8,1.439,40,1.311422581,2.279950978,3.061076247,3.96927262,4.99964309,5.643226919,6.214221372,7.192067047,0,0,114.1445281,118.2433671,128.4748756,184.8276221,152.4962365,75.07245212,24.06377359,7.307600412,0,0,336.3173356,378.3668977,393.1504676,579.790901,706.2639676,531.5080341,327.0367017,223.556374,0,0,10.08860191,17.40645163,23.34095875,32.33355389,39.09453596,39.35818467,42.38883853,48.31964354,0,0,2.319382937,2.848147341,2.943903989,4.097960229,5.63051107,5.164024567,3.833459857,3.197685822,0,0,188.0169184,356.0375415,509.9289532,658.2195338,805.5436724,930.2676978,1098.235338,1329.940152,0,0,3.51948882,6.176789038,7.924758302,14.7648383,14.59990487,8.117130995,7.345358878,7.192067047,0,0,0.517055202,0.664082853,0.736476245,1.063937612,1.317888785,1.11863146,0.856546993,0.736467666,0,0,358.1664335,270.7681528,12.85781036,127.6360373,-96.49082332,-17.02191896,230.5303962,367.2589761,29.87972932,0.737267624,0.557362651,0.026467157,0.262732376,-0.198621516,-0.035038766,173.9981383,131.5398376,6.24635604,62.00590227,-46.87548037,-8.269290288,0.349961559,0.417572138,2.245187092,2.984887082,429.491975,56.31049577,0.884087671,0.115912329,645.8627367,25.41382964,8.643973156,762.1071697,27.60628859,9.134231532,1101.916839,33.19513276,10.32879378,1.285631383,1.253812828,707.2579677,585.5694745,177.0164671,1.207812221,3.995436015,3.307994359,4.531422676,4.755382186,7.844401318,0.649583779,3.360032699,3.064326567,4.287631048,9.939350532,12.42570313,4.753845689,3.457510815,5.385117182,5.635237223,5.027525765,2.528325627,1.797794243,2.427174965,0.201056526,0.097599667,2.16E-19,1.01E-58,9.11E-120,1.59E-202,5.33E-307,0,0,0,0,0,0,0,0,0,0,0.298491782,3.215310093,2.224579036,3.517419691,3.593579802,1.507865694,1.810253661,0.631269396,1.394405941,0.684425001,0.889537823,0.0570473,0.126697483,0.001417696,6.87E-04,1.52E-21,7.11E-61,6.42E-122,1.12E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0.91615042,2.934226358,2.437018514,3.110703091,3.935896529,1.802914476,1.429657181,1.231207578,1.876218908,1.24984341,1.009216646,0.207348488,0.459731421,0.014760621,0.007163263,1.58E-20,7.41E-60,6.69E-121,1.16E-203,3.91E-308,0,0,0,0,0,0,0,0,0,0,3.176711882,3.214892366,4.653053596,10.21618252,12.76787353,4.782206749,3.733734734,5.823630499,6.011215402,4.767180774,2.352014546,1.618696838,2.238037147,0.179138873,0.086959546,1.92E-19,8.99E-59,8.12E-120,1.41E-202,4.75E-307,0,0,0,0,0,0,0,0,0,0,1.342655413,2.827423027,2.504488713,3.328956408,4.393614773,2.028710721,1.379348235,1.535244582,2.137252555,1.70312228,1.155156872,0.371400929,0.728891092,0.03205801,0.015559565,3.44E-20,1.61E-59,1.45E-120,2.53E-203,8.50E-308,0,0,0,0,0,0,0,0,0,0,4.057749124,3.159790555,5.249228004,13.07529854,16.553297,6.186757578,4.413810983,7.316162734,7.391348459,6.592208845,3.267478797,2.54326383,3.182313002,0.293216703,0.142339941,3.14E-19,1.47E-58,1.33E-119,2.31E-202,7.77E-307,0,0,0,0,0,0,0,0,0,0,2.246029208,3.639795809,4.322083688,13.78086495,12.22249672,4.019226535,7.603067157,8.777059352,6.217638658,3.571719163,1.754123273,0.802001385,1.530104068,0.081423902,0.039523832,8.73E-20,4.09E-59,3.69E-120,6.43E-203,2.16E-307,0,0,0,0,0,0,0,0,0,0,6.443247605,1.374123279,0.661817468,0.759889666,0.162058351,0.629117102,0.542253016,0.375593225,8.479188352,14.02748913,28.36628792,0.639834499,1.546963343,4.371936782,1.276607808,0.220949101,0.744857566,0.217498796,0.297174457,0.457043756,0.041401213,5.869493691,6.82928948,13.93195504,0.617286348,0.795619427,5.42859698,1.192936841,0.400718299,0.773056405,0.169879523,0.448539389,0.412529326,0.137322377,7.02225212,9.129343103,18.74663624,0.659584608,0.998391091,6.219716431,1.409855292,0.629903392,0.753040156,0.170695507,0.587229464,0.573006629,0.339984261,8.259475115,13.57479324,27.35782829,0.629560234,1.500220354,5.916011449,1.18000029,0.492750805,0.779575249,0.15549311,0.530694236,0.401353891,0.208183308,7.588762544,10.47746072,21.506065,0.669362873,1.140231436,6.52710298,1.413194883,0.691391479,0.756179089,0.163721703,0.645599669,0.573342506,0.409838125,8.631689342,14.71392282,29.72305454,0.634268633,1.6287803,6.25635809,1.441603928,0.633562772,0.750925941,0.173030023,0.594257313,0.599250902,0.344122526,8.33152479,13.89633255,27.94208062,0.626388911,1.537630741 +UMLRON0255,L,ethylcyclobutanate,CCOC(=O)C1CCC1,84700,,UML,[1],C7H12O2,UML,"ethylcyclobutanoate (spelling, esters usually end -anoate)",41.1,0,1.3062,1.70615844,36.2266,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1432.661672,1388.302447,977.777812,541.002002,152.483184,15.24096,0,3885.475125,4800.404174,6285.345707,6872.97297,6027.996325,3969.140209,1852.693924,466.2561665,0,167.819552,166.665724,297.5336,367.089532,418.770256,371.626184,205.944768,100.77696,0,29.42500648,37.33900896,52.14452968,59.59782287,56.79079623,40.73843634,20.6966326,6.669193573,0,3973.037281,3337.521256,6602.062723,8255.001704,9876.917704,9296.99474,5197.783413,2773.76478,0,46.05555556,51.80555556,73.16666667,94.83333333,100.1666667,78.5,44,15,0,48.76541633,52.3287937,34.11099219,26.69812398,16.29629687,10.01855559,5.0827728,1.016064,0,161.8947969,208.713225,149.6510883,132.1725571,100.4666054,73.50259646,61.75646414,31.08374443,0,6.992481333,7.246335826,7.084133333,7.059414077,6.979504267,6.88196637,6.8648256,6.718464,0,1.226041937,1.623435172,1.241536421,1.146111978,0.946513271,0.754415488,0.689887753,0.444612905,0,165.54322,145.1096198,157.1919696,158.7500328,164.6152951,172.1665693,173.2594471,184.917652,0,1.918981481,2.252415459,1.742063492,1.823717949,1.669444444,1.453703704,1.466666667,1,0,0.046483467,-0.007659014,-0.003705504,-0.013244124,-0.011336969,0.007069312,-0.007406816,0.013041381,0,645.6853813,-53.80711511,3.23E-13,-228.6802392,-282.4873543,80.71067267,-40.35533633,201.7766817,0,1200.679538,-100.0566282,8.53E-14,-425.2406698,-525.297298,150.0849423,-75.04247115,375.2123557,0,0.126485333,-0.010540444,1.84E-15,-0.044796889,-0.055337333,0.015810667,-0.007905333,0.039526667,0,5.367596186,-0.447299682,7.30E-15,-1.901023649,-2.348323331,0.670949523,-0.335474762,1.677373808,0,29.15686767,-2.429738973,-7.31E-14,-10.32639063,-12.75612961,3.644608459,-1.822304229,9.111521147,0,6.013888889,-1.960069444,1.15625,-0.75,-2.520833333,1.322916667,-1.53125,1.276041667,0,0.001936811,-3.33E-04,-8.82E-05,-2.55E-04,-1.89E-04,1.31E-04,-2.47E-04,8.69E-04,0,26.90355756,-2.339439787,7.70E-15,-4.397696908,-4.708122572,1.494642086,-1.345177878,13.45177878,0,50.0283141,-4.350288182,2.03E-15,-8.177705189,-8.754954967,2.779350783,-2.501415705,25.01415705,0,0.005270222,-4.58E-04,4.39E-17,-8.61E-04,-9.22E-04,2.93E-04,-2.64E-04,0.002635111,0,0.223649841,-0.019447812,1.74E-16,-0.036558147,-0.039138722,0.012424991,-0.011182492,0.111824921,0,1.214869486,-0.105640825,-1.74E-15,-0.198584435,-0.21260216,0.067492749,-0.060743474,0.607434743,0,0.250578704,-0.085220411,0.027529762,-0.014423077,-0.042013889,0.024498457,-0.051041667,0.085069444,0,-0.171932407,-0.045552343,-0.131502083,-0.097556997,0.067592131,-0.127474421,0.448895294,0,-0.086956522,2.86E-16,-0.163461538,-0.175,0.055555556,-0.05,0.5,0,-0.086956522,4.06E-17,-0.163461538,-0.175,0.055555556,-0.05,0.5,0,-0.086956522,8.33E-15,-0.163461538,-0.175,0.055555556,-0.05,0.5,0,-0.086956522,7.77E-16,-0.163461538,-0.175,0.055555556,-0.05,0.5,0,-0.086956522,-1.43E-15,-0.163461538,-0.175,0.055555556,-0.05,0.5,0,-0.340094387,0.109864731,-0.057559069,-0.167667436,0.097767513,-0.20369515,0.339491917,0,1.503034103,1.045122314,1.162210545,1.086630222,0.777141648,0.950498274,0.094781303,0,1.5,1.129464286,1.243990385,1.1140625,0.71875,0.790625,0,0,1.5,1.129464286,1.243990385,1.1140625,0.71875,0.790625,0,0,1.5,1.129464286,1.243990385,1.1140625,0.71875,0.790625,0,0,1.5,1.129464286,1.243990385,1.1140625,0.71875,0.790625,0,0,1.5,1.129464286,1.243990385,1.1140625,0.71875,0.790625,0,0,1.732101617,0.596942703,1.175741695,1.237644342,0.693482166,1.27482679,0,0,34.55744897,17.27872449,26.13136003,34.55744897,4.319681121,17.27872459,1.07E-14,0.161168479,0.02014606,-1.460244007,33.02063096,4.127578871,2.797706037,34.55744897,17.27872449,26.13136003,34.55744897,4.319681121,17.27872459,1.07E-14,0.161168479,0.02014606,-1.460244007,33.02063096,4.127578871,2.797706037,34.55744897,17.27872449,26.13136003,34.55744897,4.319681121,17.27872459,1.07E-14,0.161168479,0.02014606,-1.460244007,33.02063096,4.127578871,2.797706037,34.55744897,17.27872449,26.13136003,34.55744897,4.319681121,17.27872459,1.07E-14,0.161168479,0.02014606,-1.460244007,33.02063096,4.127578871,2.797706037,34.55744897,17.27872449,26.13136003,34.55744897,4.319681121,17.27872459,1.07E-14,0.161168479,0.02014606,-1.460244007,33.02063096,4.127578871,2.797706037,34.55744897,17.27872449,26.13136003,34.55744897,4.319681121,17.27872459,1.07E-14,0.161168479,0.02014606,-1.460244007,33.02063096,4.127578871,2.797706037,50.09086373,24.81105686,38.84153499,49.73930123,6.217412653,24.81105686,-0.46875,0.196878608,0.024609826,-1.300134355,29.07950662,3.634938328,2.696026949,0,11.89,12.11011416,-0.171565448,0.05102866,5.306776088,8.765879726,7,23,22,22,6,1,1,0,0,1,17.491312,3.590684639,3.16010056,2.756779838,2.237000525,2.220665565,1.536325241,1.149017434,0.376879111,1.926071206,1.671277238,1.445527815,1.142887906,1.107624617,0.694279151,0.452323488,0.083923071,3.611480051,3.194790443,2.805673737,2.307137471,2.289373342,1.629757103,1.260776038,0.498801464,1.873489138,1.597660701,1.351268992,1.028148467,0.995256194,0.554014103,0.301554739,0.270913902,3.706059982,3.347578325,3.018123255,2.600892813,2.577008622,2.015277246,1.707414835,0.960747079,1.725559151,1.378026564,1.059732689,0.656358357,0.631303587,0.086743077,0.212050256,0.943918427,3.626967528,3.220377903,2.841614451,2.358096165,2.339284039,1.697378512,1.340758708,0.584623846,1.840587856,1.550472777,1.289942426,0.952182384,0.920879472,0.460166663,0.199928855,0.399277246,3.753988139,3.421774277,3.119027431,2.734290717,2.707587959,2.186380653,1.899236901,1.207644823,1.681607566,1.308883941,0.964862884,0.528928296,0.506557967,0.078117733,0.398811382,1.145139223,3.651765134,3.242431722,2.907688921,2.560022204,2.381808189,1.715324663,1.371889117,0.641697742,1.891330339,1.508672258,1.203444741,0.889334053,0.708359139,0.401227258,0.136926569,0.533333333,0,0,1,0,1,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.40824829,0,0.144337567,0,1.207106781,0.666666667,0.666666667,0.841260992,0.49279928,0.450523785,6.568914101,3.680739213,3.009975955,1.882088123,0.788675135,0.333333333,0,0,0.821114263,0.525819888,0.376246994,0.268869732,0.197168784,0.166666667,0,0,6.198670613,3.334933866,2.536075375,1.562948829,0.679412342,0.24639964,0,0,0.774833827,0.476419124,0.317009422,0.223278404,0.169853085,0.12319982,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,54,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,5,2,0,1,0,0,0,0,0,0,0,0,3,1,2,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.185555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.34625,0,0,0,1.219652778,0.580555556,0,0.34625,0,0,0,0,0,0,0,0,6.533333333,3.873657407,2.558888889,0,0,0,0.722222222,0,0,1.311898148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.311898148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.34625,0,0,0,0.216944444,0.290277778,0,0.34625,0,0,0,0,0,0,0,0,2.097546296,3.873657407,1.271851852,0,0,0,0.722222222,0,0,1.311898148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.873657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.34625,0,0,0,0.290277778,0.290277778,0,0.34625,0,0,0,0,0,0,0,0,2.228009259,3.873657407,1.287037037,0,0,0,0.722222222,0,0,1.311898148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15,1.875,0.34625,3.873657407,0.043819444,0.722222222,5.409574306,0.611111111,0.873657407,2.813981481,0.611111111,0.873657407,2.813981481,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.5,0.25,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.58051,0.94756,9.01229,1.43178,0.17897,3.15631,0.39454,3.68073,0.52442,0.06555,0.23327,0.02916,0.23327,0.02916,0,7,0,0,0,0,0,0,0.75,0.918295834,2.114005463,3.323934896,3.740601563,3.740601563,3.275188021,22.03910002,50.73613111,79.77443751,89.77443751,89.77443751,78.60451251,0.200284263,0.461073665,0.724964467,0.815841255,0.815841255,0.714332564,3.666666667,2.470957038,1.261027604,0.844360938,0.844360938,1.309774479,0.200284263,0.461073665,0.724964467,0.815841255,0.815841255,0.714332564,6.73287657,17.09808847,20.1495148,20.5694419,20.5694419,14.9844794,31.59900002,18.70284314,15.80676719,14.52844636,14.52844636,13.52844636,8,3.9375,3.673469388,8,2,6,2.34,1.1928,1.72030651,3.150627212,4.521745165,0,1,2.149139864,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.108,0.104,0.16,3.408,8,7,4,2,0,0,0,0,0,36,2.197224577,2.397895273,2.302585093,1.791759469,1.386294361,0,0,0,0,0,3.784189634,1.194444444,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,5,0.666666667,2,1.111111111,0.375,0.16,0,0,0,0,0,0,0.285714286,0.138888889,0.053571429,0.04,0,0,0,0,0,0,0.518174603,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,0,144.287877,4,3.433987204,4.110873864,4.844187086,5.556828062,6.289715571,7.01301579,7.744569809,8.471568013,9.202207389,71.66695279,2.708050201,0,3.850147602,0,5.176149733,0,6.577861358,0,8.011355109,8.288283045,112.1252005,4.671883355,14.49604135,1.812005168,0,0,0,70,7,3.954,30,1.226391304,2.12425115,2.934458593,3.588065307,4.291030576,5.507877996,6.446029286,0,0,0,74.73814722,82.50600298,86.95503264,68.87037777,52.80583648,30.25472448,6.5495783,0,0,0,280.6431588,346.1648765,411.4992168,390.843163,354.06536,357.1885962,200.3667269,0,0,0,8.920641989,15.11083768,20.765321,25.11440627,29.66120877,37.89193924,43.3074157,0,0,0,2.124868553,2.808578287,3.504639289,3.583487983,3.505580965,3.936090389,2.865987805,0,0,0,175.8569114,329.4559529,462.3231935,585.4699737,728.7569707,947.8146877,1191.9846,0,0,0,2.822032609,3.866268635,5.495544145,6.155439713,6.599593331,8.265616637,6.446029286,0,0,0,0.4404825,0.590494118,0.74295215,0.769553159,0.763403942,0.869928994,0.660073399,0,0,0,377.8667065,177.5037813,10.55338188,158.9729331,-74.67791225,-10.33181338,218.8937734,252.1816935,20.88519526,0.703872588,0.330645817,0.019658351,0.296127412,-0.139106554,-0.019245623,202.8538265,95.29106596,5.665473728,85.34297213,-40.0900635,-5.546526969,0.113762384,0.211718681,2.710439524,4.394456228,536.8396396,0,1,0,457.3961477,21.38682182,7.704849633,612.8133496,24.75506715,8.493944243,773.6234577,27.8140874,9.180011177,1.521939252,1.467092504,561.2447751,475.2548825,129.2421115,1.180934264,4.342584383,3.6772448,4.270861022,4.462585949,7.652389268,0.714788097,4.625737202,5.862544279,5.420842198,18.25873211,5.692890642,8.561473079,10.17130442,11.4005826,9.961222521,2.946082545,3.077315889,1.033338581,3.850075463,1.432305862,1.13E-05,1.26E-31,2.70E-79,1.12E-148,8.90E-240,0,0,0,0,0,0,0,0,0,0,0,0.388216777,5.862267947,0.228768428,7.772439693,1.589633337,1.377197246,0.765739069,0.550336512,2.677931057,0.063924143,0.055885642,0.058804505,0.213495371,0.010087847,7.96E-08,8.85E-34,1.90E-81,7.86E-151,6.27E-242,0,0,0,0,0,0,0,0,0,0,0,1.253185036,5.862286994,0.887519129,9.109533508,1.885425472,2.389177533,2.16235762,1.986052952,3.340886378,0.327149796,0.31369621,0.144738154,0.761417388,0.105123147,8.30E-07,9.23E-33,1.98E-80,8.19E-150,6.53E-241,0,0,0,0,0,0,0,0,0,0,0,4.366319238,5.862514146,4.961104625,17.33255885,5.250031834,7.960875627,9.410391152,10.46073619,9.223939879,2.654634809,2.765369342,0.933706349,3.558680897,1.276158737,1.01E-05,1.12E-31,2.40E-79,9.94E-149,7.93E-240,0,0,0,0,0,0,0,0,0,0,0,1.84695863,5.862311161,1.458814516,10.26594725,2.249340274,3.218815855,3.27645856,3.202943381,4.040563865,0.60437022,0.597248164,0.237277842,1.195264569,0.228341522,1.80E-06,2.00E-32,4.30E-80,1.78E-149,1.42E-240,0,0,0,0,0,0,0,0,0,0,0,5.586245157,5.862670854,7.284140469,22.01063385,7.550213393,10.96777013,13.19880373,15.19333634,13.02191651,4.15576081,4.376486108,1.447617039,5.007056715,2.08888349,1.65E-05,1.83E-31,3.93E-79,1.63E-148,1.30E-239,0,0,0,0,0,0,0,0,0,0,0,2.625107179,4.354098193,1.960343879,11.0811337,2.826705383,5.001756843,4.610831504,4.621306906,5.367555772,0.940701888,1.002565889,0.37434515,1.78470687,0.407411445,3.22E-06,3.58E-32,7.67E-80,3.17E-149,2.53E-240,0,0,0,0,0,0,0,0,0,0,0,5.041330972,1.535554502,0.555322015,0.706840201,0.21529863,0.501396256,0.423632997,0.456214087,7.13220749,11.39352777,22.82461541,0.560260301,1.38124334,4.059656953,0.963231301,0.19333017,0.778275874,0.184660845,0.327505721,0.171477293,0.055718411,5.216218423,4.881464485,10.85367901,0.667413811,0.554701425,4.447966959,1.192039825,0.337180305,0.744157225,0.199431573,0.39165439,0.259770408,0.168941777,5.977187089,7.203852964,14.96882187,0.616235838,0.820366576,5.016879055,1.521527026,0.546366918,0.708121355,0.214760166,0.496591507,0.416227864,0.44169445,7.084772999,11.20568585,22.46105077,0.562182032,1.354513821,4.621758073,1.293361183,0.401262889,0.731709698,0.204762972,0.422321745,0.304267289,0.238933319,6.316382145,8.35112033,17.06609252,0.597564547,0.965522354,5.117925983,1.579429851,0.583356383,0.702943041,0.216933427,0.51660502,0.44717965,0.503173031,7.280712216,11.99035034,23.98656851,0.554414561,1.466957702,5.023997192,1.531258908,0.546183442,0.707461799,0.21562655,0.498113806,0.422130989,0.441198477,7.101439542,11.2734128,22.57666366,0.561192698,1.361443271 +UMLRON0256,L,"2,3-Dimethyl-1-Hexene",CCCC(C)C(=C)C,86061,,"Sandia, UML",[1],C8H16,PubChem,,96.3,0,0.9738,0.94828644,39.3749,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,2106.57486,2021.920666,1141.35202,421.037737,93.979872,9.144576,0,4371.159516,5876.91121,8897.306245,10196.89575,7964.343121,4033.364857,1341.178331,279.7536999,0,188.796996,195.98202,384.63672,550.62244,625.114192,451.824868,183.793536,60.466176,0,33.10313229,45.14389758,72.20848416,88.89352217,78.15636024,44.39843551,16.01813686,4.001516144,0,4469.666941,3897.355064,8334.220529,12379.7691,15042.90601,11542.33476,4802.005979,1664.258868,0,42.08333333,51.02777778,84.69444444,120.6944444,126.1666667,82.5,33,9,0,48.76541633,56.15943233,39.01064556,25.92205982,12.68168911,6.379359652,3.480736,1.016064,0,161.8947969,217.6633782,164.7649305,130.7294327,88.49270135,61.11158874,49.67327153,31.08374443,0,6.992481333,7.258593333,7.122902222,7.059262051,6.945713244,6.845831333,6.807168,6.718464,0,1.226041937,1.671996207,1.337194151,1.139660541,0.868404003,0.672703568,0.593264328,0.444612905,0,165.54322,144.3464838,154.3374172,158.7149885,167.1434001,174.8838599,177.8520733,184.917652,0,1.558641975,1.889917695,1.568415638,1.547364672,1.401851852,1.25,1.222222222,1,0,0.035774736,-0.004474707,-3.52E-04,-0.014854912,-0.01512125,0.008060806,0.004024938,0.004830077,0,726.396054,6.89E-13,6.93E-13,-403.5533633,-363.198027,161.4213453,121.066009,121.066009,0,1350.764481,-6.39E-13,-6.75E-13,-750.4247115,-675.3822403,300.1698846,225.1274134,225.1274134,0,0.142296,2.05E-15,2.03E-15,-0.079053333,-0.071148,0.031621333,0.023716,0.023716,0,6.038545709,1.68E-14,1.67E-14,-3.354747616,-3.019272855,1.341899046,1.006424285,1.006424285,0,32.80147613,-1.98E-13,-1.97E-13,-18.22304229,-16.40073807,7.289216918,5.466912688,5.466912688,0,2.962962963,-1.333333333,0.435185185,-0.411522634,-1.024691358,0.58127572,-0.101851852,0.37345679,0,0.00132499,-1.66E-04,-6.52E-06,-1.90E-04,-1.68E-04,1.22E-04,1.49E-04,5.37E-04,0,26.90355756,2.55E-14,1.28E-14,-5.173761068,-4.035533633,2.44577796,4.483926259,13.45177878,0,50.0283141,-2.37E-14,-1.25E-14,-9.620829634,-7.504247115,4.548028554,8.33805235,25.01415705,0,0.005270222,7.59E-17,3.76E-17,-0.001013504,-7.91E-04,4.79E-04,8.78E-04,0.002635111,0,0.223649841,6.23E-16,3.08E-16,-0.043009585,-0.033547476,0.020331804,0.037274974,0.111824921,0,1.214869486,-7.34E-15,-3.65E-15,-0.233628747,-0.182230423,0.110442681,0.202478248,0.607434743,0,0.109739369,-0.049382716,0.008058985,-0.005275931,-0.01138546,0.008807208,-0.003772291,0.041495199,0,-0.125080081,-0.00492415,-0.14373509,-0.126803869,0.092176851,0.112507833,0.405040876,0,9.49E-16,4.77E-16,-0.192307692,-0.15,0.090909091,0.166666667,0.5,0,-4.73E-16,-2.50E-16,-0.192307692,-0.15,0.090909091,0.166666667,0.5,0,1.44E-14,7.14E-15,-0.192307692,-0.15,0.090909091,0.166666667,0.5,0,2.79E-15,1.38E-15,-0.192307692,-0.15,0.090909091,0.166666667,0.5,0,-6.04E-15,-3.01E-15,-0.192307692,-0.15,0.090909091,0.166666667,0.5,0,-0.45,0.0734375,-0.048076923,-0.10375,0.080255682,-0.034375,0.378125,0,1.570719345,1.082116933,1.228948011,1.058006254,0.652550768,0.592940917,1.65E-08,0,1.444444444,1.203703704,1.277777778,1.035185185,0.623737374,0.481481481,0,0,1.444444444,1.203703704,1.277777778,1.035185185,0.623737374,0.481481481,0,0,1.444444444,1.203703704,1.277777778,1.035185185,0.623737374,0.481481481,0,0,1.444444444,1.203703704,1.277777778,1.035185185,0.623737374,0.481481481,0,0,1.444444444,1.203703704,1.277777778,1.035185185,0.623737374,0.481481481,0,0,1.995138889,0.740277778,1.0515625,1.096875,0.758948864,0.975,0,0,38.33189522,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,-3.55E-15,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,38.33189522,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,-3.55E-15,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,38.33189522,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,-3.55E-15,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,38.33189522,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,-3.55E-15,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,38.33189522,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,-3.55E-15,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,38.33189522,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,-3.55E-15,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,46.0019026,22.86900686,32.68306569,45.79665569,5.088517299,22.86900686,-0.263888889,0.011931265,0.001325696,-3.985733706,39.52764968,4.391961075,3.309300377,0,11.89,12.11013444,-0.161883947,0.059292989,6.076143106,8.759332881,9,27,27,27,9,0,0,0,0,0,19.677726,3.692343094,3.111153377,2.910586584,2.491966121,2.228162312,1.888359015,1.293197769,1.016999831,2.025554051,1.624398772,1.507597489,1.297318073,1.122296208,0.873203622,0.540839862,0.377195559,3.714367331,3.144779676,2.950975494,2.552323956,2.297474018,1.965717227,1.397136819,1.132451016,1.975683879,1.548767931,1.422228425,1.192289103,1.009131631,0.750063592,0.393944648,0.219976496,3.811787904,3.295407213,3.129789259,2.8086968,2.587586062,2.287760743,1.819792765,1.598241094,1.831374797,1.325862984,1.165496808,0.857784143,0.642333563,0.348169673,0.103000863,0.317422958,3.730619117,3.169726474,2.980834872,2.596374262,2.347821619,2.021823684,1.472019226,1.215444133,1.944151858,1.500484016,1.367285652,1.123196853,0.934204221,0.668332448,0.295130444,0.113824519,3.859665742,3.369840593,3.216785994,2.927121813,2.719243076,2.432834875,2.004069614,1.799143569,1.78700034,1.256898942,1.084420877,0.745333283,0.516539854,0.209190496,0.281637788,0.512918933,3.706994019,3.242200096,3.064843146,2.752095718,2.485409433,2.124732094,1.573823068,1.325333559,1.954456694,1.415974167,1.275933994,0.944397598,0.768509969,0.531719765,0.154566123,0.036570631,0,0,0,0,0,3,3,3,0,0,0,0,0.068041382,0.204124145,0,0,0,0.068041382,0.204124145,0.760079655,0,0.166666667,0,0.760079655,0,0.166666667,0,1.478278096,1.558028605,2.075933094,1.478278096,1.558028605,2.075933094,6.853371151,4.198377303,3.872792013,2.860366219,1.816762979,1.33160016,0.504473335,0.068041382,0.761485683,0.466486367,0.322732668,0.220028171,0.139750998,0.095114297,0.072067619,0.068041382,6.853371151,4.198377303,3.872792013,2.860366219,1.816762979,1.33160016,0.504473335,0.068041382,0.761485683,0.466486367,0.322732668,0.220028171,0.139750998,0.095114297,0.072067619,0.068041382,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.0786,41.343,36.24670713,48.23696276,72.49341426,8.054823807,36.24670713,0.034470015,0.003830002,-3.030898907,80.37277837,8.930308707,3.948007987,67,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,7.152037037,0,4.383935185,0,0,0,2.964027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.377361111,0,1.459490741,0,0,0,0.980324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.389212963,0,1.463796296,0,0,0,0.996481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.5,1.611111111,0.2,2.389212963,0.2,0.980324074,6.462448565,0.353009259,0.389212963,2.304074074,0.353009259,0.389212963,2.304074074,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.33333,0.33333,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,10.41343,1.15705,10.41343,0,0,4.19836,0.46648,4.19836,0,0,0.21564,0.02396,0.30164,0.03352,0.222222222,9,0,0,0,0,0,0,1,0.918295834,1.446616668,2.623447687,3.003620372,3.276511689,3.355834261,24.79398752,39.05865003,70.83308754,81.09775004,88.4658156,90.60752505,0.193126721,0.304237833,0.551737067,0.631691154,0.689082904,0.705765228,3.836591668,3.308270835,2.131439816,1.75126713,1.478375813,1.399053241,0.193126721,0.304237833,0.551737067,0.631691154,0.689082904,0.705765228,6.73287657,13.07272657,16.50189266,17.69927539,17.97430209,18.36157335,35.54887502,26.03910002,23.8332514,21.58017408,20.84045497,19.97850325,7.111111111,2.722222222,1.704142012,0,0,0,2.45,1.2681,0.766309432,3.479380736,4.441492163,0,1.650963624,5.853800636,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.124,0.16,0.203,3.937,12,13,13,14,7,1,0,0,0,78,2.302585093,2.564949357,2.63905733,2.63905733,2.708050201,2.079441542,0.693147181,0,0,0,4.369447852,1,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,5,0.666666667,2.5,1.333333333,0.5625,0.413333333,0,0,0,0,0,0,0.277777778,0.111111111,0.05625,0.103333333,0,0,0,0,0,0,0.548472222,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,0,151.8638616,4.169925001,3.761200116,4.532599493,5.351858133,6.146329258,6.963189986,7.764296006,8.579416535,9.382695764,10.19694044,80.67852573,2.944438979,0,4.204692619,0,5.666426688,0,7.217443432,0,8.806723555,9.038602609,126.1408506,4.671883355,17.38201719,1.931335244,0,0,0,84,10,4.938,42,1.22699952,2.101630972,2.840238819,3.49035819,4.115963512,5.00809732,5.363830398,0,0,0,78.95148878,91.11723762,78.97458155,47.80761064,28.50346413,17.43290426,5.449994969,0,0,0,290.5400635,371.1463514,388.787801,321.293913,262.9894382,248.7764193,166.7279333,0,0,0,8.938429587,15.02120526,20.09851051,24.28045834,28.22348218,34.09099723,36.03670143,0,0,0,2.17886504,2.958404881,3.350345758,3.113871491,2.854104933,2.971188195,2.384828214,0,0,0,175.1121323,320.7291171,447.1681217,580.5617808,716.1870648,890.6975112,991.866923,0,0,0,2.362218352,3.387448363,4.473521501,4.967935765,5.269979306,6.121101571,5.363830398,0,0,0,0.45089223,0.619797973,0.711458912,0.674828803,0.630576096,0.665978551,0.549256233,0,0,0,328.4460507,150.515495,8.315569353,97.86820334,-44.84962154,-5.241575002,230.5778473,195.3651165,13.55714436,0.770431783,0.353062309,0.019505727,0.229568217,-0.105203195,-0.012295097,140.0212331,64.16690095,3.545045745,41.7226101,-19.12003295,-2.234558137,0.065203351,0.135969721,1.198660715,1.12888099,426.314254,0,1,0,620.8036052,24.91593075,8.530701456,795.1702547,28.19876335,9.264458536,1127.068646,33.57184305,10.40678996,1.450520005,1.450520005,436.4429157,334.4183774,202.7853414,1.305080537,2.15224095,1.649125006,3.925554801,4.044879394,6.288840458,0.554765877,5.020831515,7.454349673,11.74682904,13.10114814,20.10526751,11.80611298,14.75382903,11.01362749,10.23532752,1.423595462,2.970298503,0.011609476,1.09E-22,1.96E-64,6.85E-128,4.61E-213,5.981E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,0.4219314,6.526131582,0.761410327,5.933496736,2.193337405,1.77845177,2.138110388,0.643069395,0.340230257,0.049344093,0.020971772,8.18E-05,7.65E-25,1.38E-66,4.82E-130,3.25E-215,4.2E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,1.36066474,6.588157768,2.564143159,6.903192801,4.931372622,3.406546434,3.568085136,1.798852462,1.440116212,0.205498354,0.218135976,8.52E-04,7.97E-24,1.44E-65,5.03E-129,3.38E-214,4.39E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,4.739290068,7.352439744,10.9187847,12.48781014,18.68389329,11.04408165,13.57638326,10.038755,9.304121532,1.295470421,2.6465181,0.010343834,9.67E-23,1.75E-64,6.10E-128,4.11E-213,5.329E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,2.005075814,6.668577239,3.932196593,7.715351821,7.083572112,4.64852231,4.889740389,2.877622564,2.468295053,0.349618341,0.473693224,0.00185081,1.73E-23,3.13E-65,1.09E-128,7.35E-214,9.535E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,6.063252857,7.882866992,14.98929134,15.57023921,25.7367837,14.79577968,19.57336468,15.00917957,14.05267142,1.947937108,4.331732527,0.016931329,1.58E-22,2.86E-64,9.99E-128,6.72E-213,8.7227E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,3.331366715,6.124293858,6.455003502,9.20925574,11.05311429,7.203324135,8.265153368,5.744189697,5.196264407,0.74547378,1.144583435,0.004472616,4.18E-23,7.56E-65,2.64E-128,1.78E-213,2.3043E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,3.069862231,1.788559275,0.879265371,0.535034814,0.311721311,0.509235924,0.56899666,0.468303782,5.737686877,9.762472353,20.32788055,0.302552221,1.546536366,2.251611658,1.209649669,0.402263491,0.582786902,0.313094836,0.273373051,0.257874187,0.098965292,3.863524819,4.116000363,9.075154685,0.374180352,0.63021253,2.576002246,1.439386401,0.592492508,0.559042684,0.312374897,0.35801811,0.36669987,0.214354388,4.607881155,6.086950291,12.89171226,0.338564025,0.939072369,3.049550758,1.77420851,0.867528637,0.535827885,0.311741128,0.502482583,0.559804146,0.456078387,5.691287905,9.595288208,19.98037355,0.303741827,1.518365116,2.720867095,1.541869726,0.67693459,0.550819451,0.31214014,0.39957205,0.421456377,0.279310338,4.939671411,7.080816606,14.86037931,0.326229177,1.100338765,3.133466565,1.833493531,0.915989574,0.532635283,0.311662284,0.530680705,0.598267124,0.507544987,5.88294967,10.29487434,21.44035877,0.298952925,1.636492815,3.064786581,1.778389115,0.869115648,0.536524907,0.311326753,0.507449986,0.562358959,0.457378632,5.712291345,9.659662883,20.10896747,0.30478736,1.527187577 +UMLRON0257,L,"1,2,4-trimethylcyclohexane",CC1CCC(C(C1)C)C,91517, (cis)(trans)(trans) reported,UML,[1],C9H18,PubChem,,73,0,2.7773,7.71339529,43.102,29.17586,0,0,29,9,20,0,9,0,0,0,0,0,0,0,0,0,1318.698369,1396.254728,2161.094725,2391.048588,1280.631243,309.373344,27.433728,0,0,4433.327004,5682.867541,8620.516427,11464.48257,10335.18712,4862.796093,839.2610996,0,0,202.233924,202.676768,382.265428,515.149104,814.871532,732.779136,181.398528,0,0,33.9923581,44.5820862,69.20132001,96.26587017,103.2020439,60.05895902,12.00454843,0,0,4839.502245,4076.805803,8530.458067,10899.65576,19362.51851,19398.79454,4992.776605,0,0,49.375,57.9375,87.625,139.5,185.25,126,27,0,0,45.47235755,49.86624029,40.02027269,33.20900817,10.94556618,2.864568,1.016064,0,0,152.873345,202.9595551,159.6391931,159.2289246,88.33493264,45.02588975,31.08374443,0,0,6.973583586,7.238456,7.078989407,7.154848667,6.964713949,6.784992,6.718464,0,0,1.172150279,1.592217364,1.281505926,1.337025975,0.882068751,0.556101472,0.444612905,0,0,166.8793878,145.6002072,157.9714457,151.3841078,165.4916112,179.618468,184.917652,0,0,1.702586207,2.069196429,1.622685185,1.9375,1.583333333,1.166666667,1,0,0,0.037698578,-0.012969332,0.02387687,-0.018167497,-0.051071628,0.024887956,0.014594342,0,0,751.4441938,-57.58193056,400.0504626,-638.2957002,-977.7411809,583.0170469,314.8292053,0,0,1397.342566,-107.0760587,743.9109179,-1186.938111,-1818.151477,1084.145094,585.438351,0,0,0.147202759,-0.011279905,0.078367139,-0.125037746,-0.191532785,0.114209037,0.06167288,0,0,6.246771423,-0.478679803,3.325627928,-5.306165611,-8.127983047,4.846633001,2.61718182,0,0,33.93256151,-2.600196285,18.06486369,-28.82317582,-44.15133291,26.32698738,14.21657319,0,0,4.685344828,-3.189729489,3.25401308,0.005350773,-5.933115339,1.947681332,1.573127229,0,0,0.001299951,-4.63E-04,4.42E-04,-2.52E-04,-4.37E-04,2.30E-04,5.41E-04,0,0,25.91186875,-2.05649752,7.408341899,-8.865218059,-8.35676223,5.39830599,11.66034094,0,0,48.18422642,-3.824144954,13.77612811,-16.48525154,-15.53975621,10.0383805,21.68290189,0,0,0.005075957,-4.03E-04,0.001451243,-0.001736635,-0.001637032,0.001057491,0.002284181,0,0,0.215405911,-0.017095707,0.061585702,-0.073696745,-0.069469941,0.044876231,0.09693266,0,0,1.170088328,-0.092864153,0.334534513,-0.400321886,-0.37736182,0.243768402,0.526539748,0,0,0.161563615,-0.11391891,0.060259501,7.43E-05,-0.050710388,0.018034086,0.058263971,0,0,-0.356313756,0.340139177,-0.194104511,-0.335789306,0.177271327,0.415808885,0,0,-0.079365079,0.28590535,-0.34212963,-0.322507123,0.208333333,0.45,0,0,-0.079365079,0.28590535,-0.34212963,-0.322507123,0.208333333,0.45,0,0,-0.079365079,0.28590535,-0.34212963,-0.322507123,0.208333333,0.45,0,0,-0.079365079,0.28590535,-0.34212963,-0.322507123,0.208333333,0.45,0,0,-0.079365079,0.28590535,-0.34212963,-0.322507123,0.208333333,0.45,0,0,-0.70510251,0.372976933,4.60E-04,-0.313872573,0.111622202,0.360625575,0,0,1.893878987,0.623693962,1.493815405,1.391668431,0.452864479,9.76E-05,0,0,1.611111111,0.918930041,1.691666667,1.272364672,0.375925926,0,0,0,1.611111111,0.918930041,1.691666667,1.272364672,0.375925926,0,0,0,1.611111111,0.918930041,1.691666667,1.272364672,0.375925926,0,0,0,1.611111111,0.918930041,1.691666667,1.272364672,0.375925926,0,0,0,1.611111111,0.918930041,1.691666667,1.272364672,0.375925926,0,0,0,2.307727691,0.428839143,1.330611776,1.441346449,0.498006746,0,0,0,37.68803875,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,-3.55E-15,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,37.68803875,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,-3.55E-15,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,37.68803875,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,-3.55E-15,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,37.68803875,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,-3.55E-15,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,37.68803875,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,-3.55E-15,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,37.68803875,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,-3.55E-15,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,56.46679927,28.05191815,40.59955082,56.18449474,6.242721638,28.05191815,-0.362962963,0.038182916,0.004242546,-2.938830373,30.88796271,3.431995856,3.087329896,0,11.89,12.11013444,-0.15689918,0.064876315,5.912931606,10.15700569,8,28,28,28,8,0,0,0,0,0,21.86414,3.67617433,3.098235619,2.725134397,2.333552793,2.333552793,2.333552793,1.732151595,0.990922482,1.98804178,1.65646562,1.454934152,1.249629723,1.249629723,1.249629723,0.831423018,0.043938429,3.695355232,3.136415613,2.778679235,2.405454588,2.405454588,2.405454588,1.821190527,1.079788334,1.938789055,1.577123515,1.35760834,1.134540686,1.134540686,1.134540686,0.697939853,0.143687429,3.782850973,3.304488016,3.007835625,2.704236987,2.704236987,2.704236987,2.186956427,1.427400715,1.800942581,1.337894453,1.052102394,0.76031856,0.76031856,0.76031856,0.254655397,0.511736777,3.709653597,3.164585491,2.817838802,2.457539916,2.457539916,2.457539916,1.885494422,1.143025787,1.908039161,1.526027264,1.293945676,1.058262671,1.058262671,1.058262671,0.608759409,0.213282393,3.827351999,3.385806972,3.114870696,2.838982085,2.838982085,2.838982085,2.349056331,1.57115717,1.760189315,1.26197644,0.950894367,0.631337262,0.631337262,0.631337262,0.098472314,0.65386856,3.647342746,3.203603396,2.915394424,2.598486893,2.598486893,2.598486893,1.948682428,1.103089898,1.958108132,1.468406181,1.181820052,0.910986893,0.910986893,0.910986893,0.513917369,0.179138842,0,0,0,0,0,6,1,0,2,0,0,0,0,0,0,0,0,0,0,2.207106781,0.426776695,1.810660172,1.133883476,2.207106781,0.426776695,1.810660172,1.133883476,4.548097039,2.974873734,1.237436867,4.548097039,2.974873734,1.237436867,7.707106781,3.810660172,4.487436867,2.914213562,0.530330086,0,0,0,0.856345198,0.476332521,0.345187451,0.24285113,0.176776695,0,0,0,7.707106781,3.810660172,4.487436867,2.914213562,0.530330086,0,0,0,0.856345198,0.476332521,0.345187451,0.24285113,0.176776695,0,0,0,14.41827804,27.87836854,26.25490196,26.6,16.98554491,223.5398563,0.497182001,0.961323053,0.905341447,0.917241379,0.585708445,7.708270906,3.4687,43.527,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,48,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,6,0,1,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,13.81423611,0,1.260416667,0,0,0,0,0,0,0,0,0,0.925347222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.255208333,0,1.260416667,0,0,0,0,0,0,0,0,0,0.446180556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.326388889,0,1.260416667,0,0,0,0,0,0,0,0,0,0.479166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,1.777777778,0.2,2.326388889,0,0.446180556,6.801980903,0.803819444,0.326388889,3.628472222,0.803819444,0.326388889,3.628472222,4.5,0.5,0,0,0.42414,0.7,0.42414,0.42414,0.7,0,0,0,0,0.71429,0,0,0.66667,0,0.22222,4,0.44444,4,0.44444,0,0,-4,-0.44444,0,0,12.48498,1.38722,12.48498,0,0,3.81066,0.42341,3.81066,0,0,0.60334,0.06704,0.60334,0.06704,0,8,0,0,0,0,0,0,1,0.893571102,1.273555585,1.800453736,2.259420773,2.446557588,2.104919616,25.91356195,36.93311196,52.21315836,65.52320242,70.95017005,61.04266886,0.183938781,0.262157383,0.370617699,0.465094609,0.50361613,0.433291036,3.964409893,3.58442541,3.057527259,2.598560222,2.411423407,2.753061379,0.185875833,0.264918153,0.37452066,0.469992503,0.508919692,0.437854007,6.65913786,11.21895166,13.98636284,15.05904027,14.63629892,7.684582161,35.68332321,28.52181327,25.35729465,24.59606233,21.97546577,16.1841785,9,2.319526627,2,9,0,5,2.45,1.3767,5.259445099,2.749459274,0,7.742944452,0,0,1.414213562,0,0,1,0,0,0,0,0,0,0,0,0,0.003,0.187,0.158,-0.031,-0.002,3.441,13,12,3,0,0,0,0,0,0,45,2.197224577,2.63905733,2.564949357,1.386294361,0,0,0,0,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,8,1,1,2,4,1,4.5,2.444444444,0.375,0,0,0,0,0,0,0,0.5625,0.188034188,0.03125,0,0,0,0,0,0,0,0.781784188,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,0,164.2203203,4.169925001,3.761200116,4.532599493,5.407171771,6.232448017,7.090909822,7.930565854,8.783089672,9.627272812,10.47754146,80.84279902,2.833213344,0,4.234106505,0,5.831882477,0,7.493873887,0,9.177507215,9.384797754,128.1565006,4.419189677,16.04143443,1.782381603,0,0,0,82,12,5.413,42,1.230142857,2.119673424,2.974813867,3.496053697,3.963750337,5.232313993,0,0,0,0,72.40063676,97.65536869,104.5059646,42.27773487,13.06715991,5.316365885,0,0,0,0,275.5059647,374.2696449,488.46211,320.8431749,191.3894514,162.6399109,0,0,0,0,8.939719117,15.08347624,21.31165094,24.37852191,26.95565571,35.1531132,0,0,0,0,2.098837641,2.933136458,4.062960048,3.158832821,2.307546899,2.326354323,0,0,0,0,176.9060838,329.2591553,448.4671845,576.4121287,707.052815,967.5472182,0,0,0,0,2.580314732,3.620833792,5.853323898,5.615607177,4.778800046,5.232313993,0,0,0,0,0.435567857,0.613298833,0.856428792,0.685462084,0.518038875,0.535788953,0,0,0,0,364.2174027,173.0869931,8.593834934,125.1656328,-59.48244883,-7.377006992,239.0517699,232.5694419,15.97084193,0.7442379,0.353684089,0.017560549,0.2557621,-0.121545792,-0.015074096,178.2418181,84.70583808,4.205677027,61.25393733,-29.10970137,-3.610182075,0.056384543,0.136300975,0.739673556,6.841225034,489.3830355,0,1,0,496.6525532,22.28570289,7.919253116,690.3932748,26.27533586,8.838234442,995.3025394,31.5484158,9.984317216,1.356712851,1.205835205,414.4132449,405.4236334,228.6926925,1.022173378,1.812096576,1.77278788,4.067698366,3.220218461,6.42424645,0.994972244,5.578011069,7.588291149,3.495937284,48.58256654,6.35776224,10.12579373,17.33418789,22.53472892,10.37700484,6.855368487,1.605890969,1.126710556,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.468123816,7.587802791,0.182669456,14.83471138,4.007804128,0.217695909,1.217036599,1.149629222,1.10069373,0.085427852,0.01131149,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.511160743,7.587836211,0.662636053,20.03278071,4.197078985,1.119151535,3.688359065,4.119357261,1.882958762,0.598577772,0.117866056,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.265187433,7.58823781,3.223642105,45.91847321,6.11116499,9.122654988,16.05793803,20.73189269,9.416000122,6.133586388,1.430820678,1.00387882,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.227172895,7.587878828,1.05041608,24.10306274,4.413236515,2.070820184,5.627883473,6.57231354,2.749905728,1.208785785,0.256018195,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.73625619,7.588515255,4.582989586,59.1255729,7.387448173,14.29024278,22.38835099,29.77032904,14.38152597,9.8767542,2.34203757,1.643201455,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.441589251,5.683365261,1.323331363,29.69426566,5.520683379,3.801064187,8.787806673,10.34759622,4.579343768,2.321954615,0.508118336,0.356498262,2.54E-15,3.49E-51,9.25E-109,4.73E-188,4.66E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,2.997050984,1.488431682,1.432255458,0.506452114,0.25152037,0.491023323,0.538311223,0.553632324,5.917738125,10.88526267,23.19215724,0.259678171,1.582966869,2.306597404,0.927400473,0.857060831,0.563814301,0.226689603,0.290393173,0.208483662,0.198245693,4.091058708,4.910872431,10.83530384,0.345721451,0.697122529,2.590064306,1.157738829,1.093210743,0.535025177,0.23915214,0.36639792,0.325244506,0.322543466,4.841013878,7.095756667,15.21489198,0.302537765,1.014185892,2.980860043,1.475276202,1.418767556,0.507388741,0.251114955,0.485716127,0.528810661,0.543254039,5.874903802,10.71981342,22.83387791,0.261083111,1.557780827,2.712401223,1.257144162,1.195125647,0.525183735,0.243412243,0.401937464,0.38365644,0.385485102,5.164671032,8.153984858,17.39389017,0.287775603,1.171079007,3.047461322,1.52939099,1.474249839,0.503620869,0.252745856,0.507732642,0.568435041,0.586573778,6.051102152,11.40818368,24.33041035,0.255431303,1.662741461,2.987313591,1.478132416,1.422579255,0.507354072,0.251040434,0.487969133,0.531104188,0.546177002,5.888025262,10.76809591,22.93772622,0.261031108,1.565250322 +UMLRON0258,L,"2,2,3,3-tetramethylpentane",CCC(C)(C)C(C)(C)C,92723,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C9H20,PubChem,,99.1,0,0.3292,0.10837264,21.936,15.46793,0,0,15,5,10,0,5,0,0,0,0,0,0,0,0,0,731.481245,842.391485,777.88234,373.368409,90.93168,9.144576,0,0,0,2428.421953,3264.950672,3747.43968,2830.697185,1247.927098,279.7536999,0,0,0,104.88722,108.8789,191.073424,209.560996,163.638144,60.466176,0,0,0,18.39062905,25.0799431,32.08459929,27.72343953,14.68429815,4.001516144,0,0,0,2483.148301,2165.197258,4251.561752,4917.094387,4247.253023,1664.258868,0,0,0,23.80555556,28.77777778,41.33333333,44,30,9,0,0,0,48.76541633,56.15943233,28.81045704,12.44561363,3.78882,1.016064,0,0,0,161.8947969,217.6633782,138.7940622,94.35657284,51.99696242,31.08374443,0,0,0,6.992481333,7.258593333,7.076793481,6.985366533,6.818256,6.718464,0,0,0,1.226041937,1.671996207,1.188318492,0.924114651,0.611845756,0.444612905,0,0,0,165.54322,144.3464838,157.4652501,163.9031462,176.9688759,184.917652,0,0,0,1.587037037,1.918518519,1.530864198,1.466666667,1.25,1,0,0,0,0.019684929,-0.003067391,-0.00413249,-0.010474672,0.003000583,0.004831506,0,0,0,403.5533633,9.24E-14,-121.066009,-282.4873543,80.71067267,121.066009,0,0,0,750.4247115,2.42E-13,-225.1274134,-525.297298,150.0849423,225.1274134,0,0,0,0.079053333,1.13E-15,-0.023716,-0.055337333,0.015810667,0.023716,0,0,0,3.354747616,-1.33E-15,-1.006424285,-2.348323331,0.670949523,1.006424285,0,0,0,18.22304229,5.46E-14,-5.466912688,-12.75612961,3.644608459,5.466912688,0,0,0,1.803703704,-0.894444444,0.195925926,-0.407407407,-0.197037037,0.401111111,0,0,0,0.001312329,-2.04E-04,-1.53E-04,-3.49E-04,1.25E-04,5.37E-04,0,0,0,26.90355756,6.16E-15,-4.483926259,-9.416245144,3.362944694,13.45177878,0,0,0,50.0283141,1.61E-14,-8.33805235,-17.50990993,6.253539262,25.01415705,0,0,0,0.005270222,7.55E-17,-8.78E-04,-0.001844578,6.59E-04,0.002635111,0,0,0,0.223649841,-8.88E-17,-0.037274974,-0.078277444,0.02795623,0.111824921,0,0,0,1.214869486,3.64E-15,-0.202478248,-0.42520432,0.151858686,0.607434743,0,0,0,0.120246914,-0.05962963,0.007256516,-0.013580247,-0.008209877,0.044567901,0,0,0,-0.155824354,-0.116628707,-0.266058155,0.095269041,0.409069783,0,0,0,2.29E-16,-0.166666667,-0.35,0.125,0.5,0,0,0,3.22E-16,-0.166666667,-0.35,0.125,0.5,0,0,0,1.43E-14,-0.166666667,-0.35,0.125,0.5,0,0,0,-3.97E-16,-0.166666667,-0.35,0.125,0.5,0,0,0,3.00E-15,-0.166666667,-0.35,0.125,0.5,0,0,0,-0.495893224,0.060346794,-0.112936345,-0.068275154,0.37063655,0,0,0,1.553159505,1.089843159,1.220517292,0.65255514,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.983572895,0.750627424,1.056468172,0.970225873,0,0,0,0,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,16.09969296,7.963735371,12.18440096,15.99635963,3.199271926,7.964405848,-0.172222222,2.22E-16,4.44E-17,-18.02182669,2000007,400001.4,7.254330619,0,11.89,12.11005553,-0.161877421,0.059222037,5.239054887,6.635107239,5,15,15,15,5,0,0,0,0,0,10.93207,3.722321007,2.627204026,2.240212372,1.208534506,0.921221809,0.083923071,0.083923071,0.083923071,1.653785103,1.546192531,1.106628577,0.726794591,0.266477566,0.083923071,0.083923071,0.083923071,3.74308453,2.683901841,2.310574874,1.315494198,1.040395973,0.270913902,0.270913902,0.270913902,1.580851254,1.463800908,0.99385857,0.601618755,0.098752419,0.270913902,0.270913902,0.270913902,3.835216298,2.926268482,2.6051496,1.749788554,1.520567748,0.943918427,0.943918427,0.943918427,1.367526455,1.217206733,0.629137905,0.191472921,0.487945466,0.943918427,0.943918427,0.943918427,3.758420311,2.725363301,2.361691163,1.392521882,1.126052294,0.399277246,0.399277246,0.399277246,1.534429758,1.410875787,0.919258293,0.518431346,0.01533246,0.399277246,0.399277246,0.399277246,3.880688851,3.039124258,2.738836715,1.938747012,1.727081239,1.207644823,1.207644823,1.207644823,1.302051637,1.13971065,0.504312344,0.048864215,0.708684885,1.207644823,1.207644823,1.207644823,3.71925211,2.907852171,2.514953356,1.485553894,1.229734549,0.612244898,0.612244898,0.612244898,1.466343188,1.329987955,0.774656395,0.405937409,0.180803358,0.612244898,0.612244898,0.612244898,0,0,0,0,0,2,1,2,0,0.23570226,0.471404521,0.23570226,0,0,0.23570226,0.471404521,0.23570226,0,0,0.471404521,0,0,0,0.471404521,0,0,0,0.471404521,0,0,0.471404521,0,0,3.86180732,2.304530453,2.190270029,1.276142375,0.23570226,0,0,0,0.772361464,0.460906091,0.312895718,0.255228475,0.23570226,0,0,0,3.86180732,2.304530453,2.190270029,1.276142375,0.23570226,0,0,0,0.772361464,0.460906091,0.312895718,0.255228475,0.23570226,0,0,0,7.709139019,14.43918427,13.62745098,13.8,8.992772455,115.1412754,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.6623,22.945,9.772386304,15.00845428,19.54477261,3.908954521,9.772493789,4.44E-16,8.88E-17,-17.6752531,2000006.919,400001.3839,7.254330599,22,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,4.592592593,0,1.472222222,0,0,0,2.101851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.296296296,0,1.472222222,0,0,0,1.050925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.296296296,0,1.472222222,0,0,0,1.050925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.166666667,1.633333333,0.2,2.296296296,0.2,1.050925926,3.586898148,0.282407407,0.296296296,1.185185185,0.282407407,0.296296296,1.185185185,2.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.4,0.4,0,2.5,0.5,2.5,0.5,0,0,-2.5,-0.5,0,0,3.9223,0.78446,3.9223,0,0,2.30452,0.4609,2.30452,0,0,0.10948,0.0219,0.19548,0.0391,0.2,5,0,0,0,0,0,0,1,0.918295834,1.425605199,2.339572262,2.339572262,2.339572262,1.691527476,13.77443751,21.38407799,35.09358393,35.09358393,35.09358393,25.37291214,0.235045188,0.364895091,0.598832295,0.598832295,0.598832295,0.432960032,2.988594762,2.481285397,1.567318334,1.567318334,1.567318334,2.215363119,0.235045188,0.364895091,0.598832295,0.598832295,0.598832295,0.432960032,6.73287657,12.82058895,13.74170783,13.74170783,13.74170783,5.965170405,19.74937501,14.76455615,15.58777522,15.58777522,15.58777522,9.373994032,3.2,0.734693878,0.444444444,0,0,0,2.01,0.7045,0.333333333,1,2.828427125,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,2.169,7,5,1,0,0,0,0,0,0,23,1.791759469,2.079441542,1.791759469,0.693147181,0,0,0,0,0,0,3.17805383,1,0.333333333,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,0,2,3,0.5,1.5,1.222222222,0,0,0,0,0,0,0,0,0.3,0.305555556,0,0,0,0,0,0,0,0,0.605555556,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,0,82.67992313,3.321928095,3.218875825,4.007333185,4.844187086,5.666426688,6.502790046,7.333676396,8.168769824,9.001962273,9.836439218,68.58046054,2.397895273,1.945910149,3.663561646,3.931825633,5.153291594,5.733341277,6.741700695,7.458762692,8.373553741,8.9226583,70.07825032,4.671883355,9.115918943,1.823183789,0,0,0,16,1,2.723,24,1.222391529,2.127474007,2.932454931,3.515196824,3.412604685,0,0,0,0,0,79.23825166,69.97511254,37.10613168,12.35083052,3.467424767,0,0,0,0,0,290.8117196,320.1538369,282.9545954,175.4814047,106.0765319,0,0,0,0,0,8.906727723,15.11237731,20.51666634,23.9326871,22.92746172,0,0,0,0,0,2.178076375,2.68016243,2.761881167,2.092398477,1.517288082,0,0,0,0,0,174.3383021,330.9223839,478.040586,624.8543403,631.0508456,0,0,0,0,0,2.388383279,3.37593573,4.36200039,4.306752732,3.412604685,0,0,0,0,0,0.450622235,0.566314343,0.598101792,0.468874248,0.34945072,0,0,0,0,0,246.5281059,62.26386559,6.188949186,48.3994746,-12.22391406,-2.675930216,198.1286313,74.48777965,8.864879402,0.835893698,0.211115778,0.02098464,0.164106302,-0.041447172,-0.009073177,72.7079378,18.36333123,1.825291809,14.27433994,-3.605169399,-0.789205624,0.118309378,0.245800883,2.708849374,5.13279058,294.9275805,0,1,0,337.1021736,18.36034242,6.95964655,435.9231885,20.87877363,7.582341206,445.0033081,21.09510152,7.63462564,1.074453453,1.074453453,136.7743187,98.70954424,71.3154109,1.385624052,1.917878857,1.384126418,2.975679292,3.225180717,4.714305204,0.461718154,3.582622559,3.981520994,2.054812256,7.931382231,5.453193996,11.21673713,3.8941078,0.221437786,2.86E-04,1.55E-27,1.62E-72,3.28E-139,1.28E-227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300664723,3.98083143,0.139544131,3.805579262,0.283563257,0.427749808,0.0852876,0.001559604,2.01E-06,1.09E-29,1.14E-74,2.31E-141,9.01E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.970582286,3.980877763,0.472145546,4.317790966,0.800207517,1.719249728,0.434461786,0.016252281,2.10E-05,1.14E-28,1.19E-73,2.41E-140,9.39E-229,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.381703452,3.981445376,1.916920159,7.562077216,4.94617846,10.23404549,3.509420726,0.19729708,2.55E-04,1.38E-27,1.45E-72,2.93E-139,1.14E-227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.430459692,3.980937604,0.71779002,4.767378013,1.314785408,2.876248147,0.801326258,0.035302125,4.56E-05,2.47E-28,2.59E-73,5.23E-140,2.04E-228,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.326535577,3.981838901,2.588800653,9.431286442,7.546781873,15.22103311,5.490463461,0.322946199,4.17E-04,2.26E-27,2.37E-72,4.79E-139,1.87E-227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.268380059,3.443105669,0.996682701,5.794624229,2.594963561,5.622378773,1.741795533,0.083004584,1.07E-04,5.81E-28,6.09E-73,1.23E-139,4.80E-228,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.72536587,1.303280415,0.638991044,0.470429793,0.355346044,0.48209431,0.472458813,0.436145839,3.667637329,4.183913399,9.288408705,0.238663755,1.390698963,1.171227909,0.793962446,0.24055909,0.530988645,0.35995133,0.222139959,0.172420609,0.060936665,2.205749445,1.402655379,3.832103361,0.336409962,0.455497233,1.391309486,0.99604541,0.399008965,0.499327997,0.357471407,0.313473723,0.273285978,0.168820063,2.786363861,2.338383434,5.677696883,0.285199106,0.755579765,1.711646595,1.290652794,0.629145715,0.471340347,0.355410245,0.474457295,0.463173345,0.422707753,3.631445104,4.098025255,9.119342243,0.240125888,1.360338393,1.489410704,1.08621429,0.469542611,0.489106314,0.356700987,0.359242049,0.325976395,0.234366613,3.045167604,2.827184874,6.631987524,0.268710952,0.919585057,1.768317365,1.342819063,0.669809095,0.467691839,0.355154301,0.506398183,0.50214555,0.479577704,3.780945523,4.458397742,9.829825234,0.234269209,1.488121437,1.719886521,1.292671119,0.629704831,0.472202795,0.354908832,0.47903244,0.464606053,0.42344483,3.642262471,4.120269734,9.162521982,0.240667441,1.367083323 +UMLRON0259,L,"1,2-dimethylcyclopropane",CC1CC1C,102832,,UML,[1],C5H10,PubChem,,100.4,0,-0.2186,0.04778596,39.327,30.93586,0,0,30,10,20,0,10,0,0,0,0,0,0,0,0,0,1462.96249,1684.78297,2179.217388,2152.131251,1582.187215,996.066964,419.935993,85.93704,6.096384,4856.843906,6529.901345,9585.725944,10701.77686,9225.295465,6587.503725,3744.012795,1350.776693,186.5024666,209.77444,217.7578,427.342512,611.112332,627.979516,539.702608,371.602468,203.54976,40.310784,36.7812581,50.1598862,78.88975002,93.9014626,85.85815293,64.79382852,39.73201206,16.68304417,2.667677429,4966.296601,4330.394515,9252.955815,14049.49488,14836.74102,13205.43544,9291.527827,5388.554039,1109.505912,45.05555556,55.11111111,93.08333333,124.6666667,125.4166667,104.75,71,33.5,6,48.76541633,56.15943233,36.3202898,24.73714082,17.57985794,12.77008928,7.776592463,2.864568,1.016064,161.8947969,217.6633782,159.7620991,123.0089294,102.5032829,84.45517596,69.33357028,45.02588975,31.08374443,6.992481333,7.258593333,7.1223752,7.024279678,6.977550178,6.919264205,6.881527185,6.784992,6.718464,1.226041937,1.671996207,1.314829167,1.079327156,0.953979477,0.830690109,0.735778001,0.556101472,0.444612905,165.54322,144.3464838,154.2159303,161.4884469,164.852678,169.3004544,172.0653301,179.618468,184.917652,1.501851852,1.837037037,1.551388889,1.432950192,1.393518519,1.342948718,1.314814815,1.116666667,1,0.040661778,-0.003308783,-0.010924509,-0.004932649,-0.00942047,4.59E-04,-0.003616805,0.007782438,0.003630896,807.1067267,-5.90E-13,-161.4213453,-161.4213453,-282.4873543,-40.35533633,-40.35533633,201.7766817,80.71067267,1500.849423,5.26E-13,-300.1698846,-300.1698846,-525.297298,-75.04247115,-75.04247115,375.2123557,150.0849423,0.158106667,3.67E-15,-0.031621333,-0.031621333,-0.055337333,-0.007905333,-0.007905333,0.039526667,0.015810667,6.709495232,1.83E-14,-1.341899046,-1.341899046,-2.348323331,-0.335474762,-0.335474762,1.677373808,0.670949523,36.44608459,-3.02E-13,-7.289216918,-7.289216918,-12.75612961,-1.822304229,-1.822304229,9.111521147,3.644608459,2.651851852,-0.766666667,-0.442592593,-0.047777778,-0.407407407,0.405185185,-0.69,0.409259259,0.214074074,0.001355393,-1.10E-04,-1.82E-04,-5.67E-05,-1.05E-04,5.88E-06,-6.70E-05,2.59E-04,6.05E-04,26.90355756,-1.97E-14,-2.690355756,-1.855417762,-3.138748381,-0.517376107,-0.747321043,6.725889389,13.45177878,50.0283141,1.75E-14,-5.00283141,-3.450228558,-5.836636645,-0.962082963,-1.389675392,12.50707852,25.01415705,0.005270222,1.22E-16,-5.27E-04,-3.63E-04,-6.15E-04,-1.01E-04,-1.46E-04,0.001317556,0.002635111,0.223649841,6.09E-16,-0.022364984,-0.015424127,-0.026092481,-0.004300958,-0.006212496,0.05591246,0.111824921,1.214869486,-1.01E-14,-0.121486949,-0.083784103,-0.141734773,-0.023362875,-0.033746375,0.303717372,0.607434743,0.088395062,-0.025555556,-0.007376543,-5.49E-04,-0.004526749,0.005194682,-0.012777778,0.013641975,0.035679012,-0.081373287,-0.134333884,-0.041830767,-0.07722625,0.004341567,-0.049415852,0.191394438,0.446475267,-7.31E-16,-0.1,-0.068965517,-0.116666667,-0.019230769,-0.027777778,0.25,0.5,3.50E-16,-0.1,-0.068965517,-0.116666667,-0.019230769,-0.027777778,0.25,0.5,2.32E-14,-0.1,-0.068965517,-0.116666667,-0.019230769,-0.027777778,0.25,0.5,2.72E-15,-0.1,-0.068965517,-0.116666667,-0.019230769,-0.027777778,0.25,0.5,-8.29E-15,-0.1,-0.068965517,-0.116666667,-0.019230769,-0.027777778,0.25,0.5,-0.289106145,-0.083449721,-0.006212676,-0.051210428,0.058766652,-0.144553073,0.154329609,0.403631285,1.533989612,1.251703958,1.0254692,1.035108316,0.899171082,0.911332973,0.404304895,0.00433893,1.45,1.305,1.1,1.063333333,0.864423077,0.805555556,0.3625,0,1.45,1.305,1.1,1.063333333,0.864423077,0.805555556,0.3625,0,1.45,1.305,1.1,1.063333333,0.864423077,0.805555556,0.3625,0,1.45,1.305,1.1,1.063333333,0.864423077,0.805555556,0.3625,0,1.45,1.305,1.1,1.063333333,0.864423077,0.805555556,0.3625,0,1.822625698,0.987255587,0.876396648,0.983880354,0.917154598,1.291026536,0.501222067,0,50.10809014,25.05404507,36.52774608,50.10809014,5.010809014,25.05404507,0,0.163926116,0.016392612,-1.808339466,78.23766948,7.823766948,4.359751238,50.10809014,25.05404507,36.52774608,50.10809014,5.010809014,25.05404507,0,0.163926116,0.016392612,-1.808339466,78.23766948,7.823766948,4.359751238,50.10809014,25.05404507,36.52774608,50.10809014,5.010809014,25.05404507,0,0.163926116,0.016392612,-1.808339466,78.23766948,7.823766948,4.359751238,50.10809014,25.05404507,36.52774608,50.10809014,5.010809014,25.05404507,0,0.163926116,0.016392612,-1.808339466,78.23766948,7.823766948,4.359751238,50.10809014,25.05404507,36.52774608,50.10809014,5.010809014,25.05404507,0,0.163926116,0.016392612,-1.808339466,78.23766948,7.823766948,4.359751238,50.10809014,25.05404507,36.52774608,50.10809014,5.010809014,25.05404507,0,0.163926116,0.016392612,-1.808339466,78.23766948,7.823766948,4.359751238,57.7380109,28.6039538,42.05718531,57.6280109,5.76280109,28.6039538,-0.183333333,0.126198519,0.012619852,-2.069899062,63.81581672,6.381581672,4.156001071,0,11.89,12.11015511,-0.161881022,0.059315855,5.383933097,9.383131292,10,30,30,30,10,0,0,0,0,0,21.86414,3.685437898,3.223192927,2.944515618,2.750129472,2.32456798,1.994665296,1.456797487,1.282656603,2.023491151,1.735501005,1.525793984,1.372874417,1.165688755,0.944524299,0.666206401,0.572264666,3.707852661,3.258393153,2.983802596,2.792995694,2.387922707,2.06805503,1.556142907,1.390336856,1.973063869,1.662421526,1.442527838,1.285229005,1.05672161,0.824398152,0.522081792,0.421107261,3.806900305,3.412567826,3.157734138,2.981537655,2.6567298,2.376223035,1.9628467,1.828132272,1.826791431,1.443139867,1.192478015,1.018928274,0.708087305,0.434454897,0.037619229,0.091965528,3.724387806,3.28430823,3.012844899,2.824624264,2.43415587,2.121444425,1.62787375,1.467919592,1.941146732,1.615476471,1.388972235,1.228596505,0.98491061,0.744803743,0.425347018,0.31928761,3.855506699,3.486985595,3.242395078,3.072480534,2.780551014,2.516261361,2.141548494,2.018774908,1.781716037,1.373646706,1.113598133,0.933903671,0.590372403,0.300670846,0.135164289,0.276888783,3.711788702,3.370152582,3.109892846,2.886391481,2.574065181,2.243396069,1.760019872,1.602030854,1.936290459,1.521394978,1.276301586,1.133685655,0.81241083,0.588098984,0.255963194,0.146648327,0,0,0,0,0,2,6,2,0,0,0,0,0.083333333,0.142258898,0,0,0,0.083333333,0.142258898,0.402368927,0,0.11785113,0,0.402368927,0,0.11785113,0,1.020220057,1.359475708,1.589255651,1.020220057,1.359475708,1.589255651,7.397341225,4.842535255,3.810495725,2.948584704,2.192705341,1.561834874,0.601007552,0.273353247,0.739734123,0.484253526,0.31754131,0.210613193,0.146180356,0.104122325,0.075125944,0.054670649,7.397341225,4.842535255,3.810495725,2.948584704,2.192705341,1.561834874,0.601007552,0.273353247,0.739734123,0.484253526,0.31754131,0.210613193,0.146180356,0.104122325,0.075125944,0.054670649,15.41827804,28.87836854,27.25490196,27.6,17.98554491,230.2825509,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.6128,46.03,43.99698258,63.66189698,87.99396516,8.799396516,43.99698258,0.07820127,0.007820127,-2.548469389,51.36653868,5.136653868,3.938986962,90,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,2,0,6,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,4.736917045,0,8.839518141,0,0,0,2.090231481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.306870748,0,1.383935185,0,0,0,1.021944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.430046296,0,1.508935185,0,0,0,1.068287037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.66666667,1.566666667,0.2,2.430046296,0.2,1.021944444,7.195344287,0.311388889,0.430046296,1.49170446,0.311388889,0.430046296,1.49170446,5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.2,0.2,0,5,0.5,5,0.5,0,0,-5,-0.5,0,0,11.53787,1.15379,11.53787,0,0,4.84252,0.48425,4.84252,0,0,0.07148,0.00715,0.15748,0.01575,0.2,10,0,0,0,0,0,0,1,0.918295834,1.375279366,2.664083512,3.422579762,3.347860598,3.606238929,27.54887502,41.25838097,79.92250535,102.6773929,100.4358179,108.1871679,0.187144143,0.280275123,0.542927025,0.697504804,0.682277408,0.734933632,3.988594762,3.53161123,2.242807084,1.484310834,1.559029998,1.300651667,0.187144143,0.280275123,0.542927025,0.697504804,0.682277408,0.734933632,6.73287657,12.21667895,18.1890332,17.94405786,18.87816086,19.4151562,39.49875002,30.76840725,23.66436096,23.06231063,21.7972296,20.16519546,8.1,4,2.285714286,3,0,3,2.56,1.409,0.2,3.783322213,1.807204007,0,6.631975708,6.447419591,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,4.664,12,14,15,15,8,5,3,1,0,93,2.397895273,2.564949357,2.708050201,2.772588722,2.772588722,2.197224577,1.791759469,1.386294361,0.693147181,0,4.543294782,1,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,1,3,6,1,1.5,1.111111111,0.5,0.342222222,0.090277778,0.04,0,0,0,0,0.15,0.092592593,0.045454545,0.048888889,0.022569444,0.04,0,0,0,0,0.399505471,25.05404507,36.52774608,50.10809014,5.010809014,25.05404507,0.163926116,0.016392612,-1.808339466,78.23766948,7.823766948,4.359751238,0,169.1598463,4.321928095,3.80666249,4.574710979,5.370638028,6.163314804,6.965080346,7.764296006,8.566935283,9.368113056,10.17080109,82.75055208,3.044522438,0,4.234106505,0,5.65248918,0,7.177018766,0,8.74687532,8.984818996,140.1565006,4.671883355,19.5566863,1.95566863,0,0,0,121,11,5.568,44,1.229266235,2.107975205,2.825764749,3.498834918,4.051056849,4.296694211,5.153898675,7.033430929,0,0,79.27849437,84.64431595,75.33621465,63.51246015,54.02400333,39.45650141,17.16135891,7.146415963,0,0,291.5000555,358.9466827,365.3581139,367.4078125,344.0547179,322.9171779,250.1430126,218.6253695,0,0,8.955521785,15.06036625,19.89825807,24.44543554,28.01604642,29.65576611,35.05545371,47.25385249,0,0,2.185186681,2.904176259,3.165172762,3.400591326,3.362816995,3.337693641,3.010700722,3.127154156,0,0,175.3995389,321.7881157,452.6501024,574.3001372,687.1479659,732.5266236,918.8618952,1300.605533,0,0,2.31020345,3.344829164,4.122520583,4.928412097,5.400430163,5.78051906,5.911925524,7.033430929,0,0,0.452167257,0.609885296,0.673350135,0.731567752,0.730974676,0.731163018,0.675701769,0.720223327,0,0,362.8458357,187.2612307,9.314551391,74.94213643,-38.67691266,-4.018416185,287.9036993,225.9381433,13.33296758,0.828816365,0.42774412,0.021276399,0.171183635,-0.08834622,-0.00917891,158.8495426,81.98071444,4.077798565,32.80876593,-16.93228716,-1.759214273,0.058361628,0.12625467,1.034154087,1.191161738,437.7879721,0,1,0,682.8851744,26.13207176,8.806078679,876.625896,29.60786882,9.57057649,1300.137475,36.05741914,10.91431353,1.49619855,1.435553478,589.8302798,503.0862721,199.15826,1.172423722,2.961615952,2.526062801,4.179021299,4.466158665,7.285318514,0.63122698,5.738588085,8.417320075,11.90997736,17.96230376,20.45107655,16.26120494,17.27499794,19.26000695,7.602811239,3.921797927,3.062109048,2.372835368,2.305700509,0.009974898,6.57E-23,8.36E-65,2.05E-128,9.70E-214,8.85E-321,0,0,0,0,0,0,0,0,0,0,0,0.471020617,7.493055205,0.832161173,6.892833969,1.099569396,2.884132555,1.991436244,2.187192147,0.456051856,0.227983532,0.59252103,0.142877237,0.016240519,7.03E-05,4.63E-25,5.88E-67,1.44E-130,6.83E-216,6.4E-323,0,0,0,0,0,0,0,0,0,0,0,1.526475872,7.584455346,2.728933239,7.80239549,3.821235639,5.143029446,3.655835892,4.691404378,1.291797198,0.802268341,0.957803422,0.498295397,0.169228667,7.32E-04,4.82E-24,6.13E-66,1.50E-129,7.12E-215,6.47E-322,0,0,0,0,0,0,0,0,0,0,0,5.409118269,8.32632916,11.10287233,16.80707001,18.83182784,15.27541645,15.82451192,17.8678776,6.944873546,3.632092833,2.861815137,2.201025789,2.054338526,0.008887455,5.85E-23,7.44E-65,1.83E-128,8.64E-214,7.885E-321,0,0,0,0,0,0,0,0,0,0,0,2.256882215,7.676077786,4.139219476,8.827610025,6.054308292,6.833733629,5.230503102,6.701661633,2.050509768,1.249853941,1.249774837,0.771900769,0.367584122,0.001590221,1.05E-23,1.33E-65,3.27E-129,1.55E-214,1.413E-321,0,0,0,0,0,0,0,0,0,0,0,6.966406668,8.79328627,15.04471326,22.78185782,26.93983971,20.1005859,23.23005396,24.80836402,10.28912669,5.066627203,3.859465127,3.049041618,3.362643317,0.014547452,9.58E-23,1.22E-64,2.99E-128,1.41E-213,1.2905E-320,0,0,0,0,0,0,0,0,0,0,0,3.780664034,7.500861711,6.803969586,11.21000024,10.48935035,10.66954597,9.336398273,11.18310415,4.03033044,2.129902498,2.084077878,1.457914937,0.93940492,0.004064015,2.68E-23,3.40E-65,8.35E-129,3.95E-214,3.607E-321,0,0,0,0,0,0,0,0,0,0,0,3.952667287,1.577425447,0.852607104,0.619278266,0.247140785,0.457609004,0.521311338,0.402622084,6.382699837,10.95003431,22.64877181,0.428917399,1.381542427,3.206144676,1.020958152,0.403231375,0.692421872,0.220493404,0.301280259,0.2182077,0.09003056,4.630334202,4.977840026,10.92808743,0.538632808,0.609518519,3.502600507,1.241920164,0.581796281,0.657602718,0.233166778,0.359463005,0.322973878,0.187486339,5.326316953,7.11029468,14.96739648,0.486404078,0.869923222,3.934181803,1.563644389,0.841490009,0.620600342,0.24665821,0.453344755,0.512231249,0.392196203,6.339316201,10.77802712,22.29390484,0.430900513,1.357772206,3.634760213,1.3404341,0.661350797,0.64485605,0.237811296,0.387055477,0.376298819,0.242275837,5.636545111,8.162505262,17.02125498,0.467284074,1.005630133,4.010541486,1.620571502,0.88740943,0.615253155,0.248610252,0.471088638,0.550256821,0.436141707,6.518522418,11.49647201,23.78259598,0.422879733,1.457487166,3.94661735,1.567135403,0.842884185,0.620865623,0.246535301,0.456203361,0.514560189,0.393487681,6.356636938,10.83233877,22.40211642,0.431298434,1.364251232 +UMLRON0260,L,1-methyl-2-n-propylcyclohexane,CCCC1CCCCC1C,107252,"(cis) version reported, [9] has RON of 29.9",UML,[1],C10H20,UML,,30.4,0,0.4726,0.22335076,28.2782,20.321516,0,0,19,7,12,0,7,0,0,0,0,0,0,0,0,0,1022.041615,1299.398024,1041.185213,815.305348,739.614628,201.84192,16.257024,0,0,3337.623245,4764.97461,5256.155257,4381.00159,3599.330659,2084.455817,497.3399109,0,0,133.40518,145.735712,256.353332,292.64872,229.787536,167.629824,107.495424,0,0,24.85765486,35.67373172,45.11971658,40.09165568,32.0765511,21.3736122,7.113806478,0,0,3106.572317,2851.825421,5539.746281,6961.736324,5488.248081,3929.30198,2958.682432,0,0,26.80555556,34.16666667,52.77777778,54.66666667,42.66666667,32,16,0,0,53.79166395,64.9699012,28.92181147,19.4120321,22.41256448,8.41008,1.016064,0,0,175.6643813,238.2487305,146.0043127,104.3095617,109.070626,86.85232572,31.08374443,0,0,7.021325263,7.2867856,7.120925889,6.967826667,6.963258667,6.984576,6.718464,0,0,1.308297624,1.783686586,1.253325461,0.95456323,0.9720167,0.890567175,0.444612905,0,0,163.5038062,142.5912711,153.8818411,165.7556268,166.3105479,163.7209158,184.917652,0,0,1.410818713,1.708333333,1.466049383,1.301587302,1.292929293,1.333333333,1,0,0,0.024286239,0.001232373,-0.017748231,1.43E-04,0.007694519,-0.014829692,0.011365355,0,0,535.2391977,48.29225844,-408.8073822,14.75596786,134.4805252,-319.2654863,262.9245182,0,0,995.3001436,89.80151672,-760.1947839,27.43935233,250.0722792,-593.687805,488.9193688,0,0,0.104849684,0.009460122,-0.08008256,0.002890593,0.026343812,-0.062541917,0.051505108,0,0,4.449454733,0.401454562,-3.398424386,0.122666672,1.117939441,-2.654060718,2.185697062,0,0,24.16950873,2.180707554,-18.4602952,0.666327308,6.072664787,-14.41689994,11.87274113,0,0,0.944444444,-0.055555556,-0.5,-0.166666667,0.472222222,-0.666666667,0.444444444,0,0,0.001278223,6.16E-05,-4.93E-04,3.39E-06,2.33E-04,-6.18E-04,7.10E-04,0,0,28.17048409,2.414612922,-11.35576062,0.351332568,4.075167431,-13.3027286,16.43278239,0,0,52.38421809,4.490075836,-21.11652177,0.653317913,7.577947854,-24.73699187,30.55746055,0,0,0.005518404,4.73E-04,-0.002224516,6.88E-05,7.98E-04,-0.002605913,0.003219069,0,0,0.234181828,0.020072728,-0.094400677,0.002920635,0.033876953,-0.110585863,0.136606066,0,0,1.272079407,0.109035378,-0.512785978,0.015864936,0.184020145,-0.600704164,0.742046321,0,0,0.049707602,-0.002777778,-0.013888889,-0.003968254,0.014309764,-0.027777778,0.027777778,0,0,0.04820651,-0.385696685,0.0026554,0.182415143,-0.483408438,0.555720402,0,0,0.085714286,-0.403108466,0.012471655,0.144660895,-0.472222222,0.583333333,0,0,0.085714286,-0.403108466,0.012471655,0.144660895,-0.472222222,0.583333333,0,0,0.085714286,-0.403108466,0.012471655,0.144660895,-0.472222222,0.583333333,0,0,0.085714286,-0.403108466,0.012471655,0.144660895,-0.472222222,0.583333333,0,0,0.085714286,-0.403108466,0.012471655,0.144660895,-0.472222222,0.583333333,0,0,-0.055882353,-0.279411765,-0.079831933,0.287878788,-0.558823529,0.558823529,0,0,1.25874925,1.420077687,0.889798982,0.688381733,1.44225266,0,0,0,1.221428571,1.470238095,0.87244898,0.74025974,1.357142857,0,0,0,1.221428571,1.470238095,0.87244898,0.74025974,1.357142857,0,0,0,1.221428571,1.470238095,0.87244898,0.74025974,1.357142857,0,0,0,1.221428571,1.470238095,0.87244898,0.74025974,1.357142857,0,0,0,1.221428571,1.470238095,0.87244898,0.74025974,1.357142857,0,0,0,1.376470588,1.279411765,0.983193277,0.545454545,1.588235294,0,0,0,26.91106085,13.45553043,21.73044764,26.91106085,3.844437265,13.45553465,0,1.67E-16,2.38E-17,-25.43193482,2000015.378,285716.4826,10.1560658,26.91106085,13.45553043,21.73044764,26.91106085,3.844437265,13.45553465,0,1.67E-16,2.38E-17,-25.43193482,2000015.378,285716.4826,10.1560658,26.91106085,13.45553043,21.73044764,26.91106085,3.844437265,13.45553465,0,1.67E-16,2.38E-17,-25.43193482,2000015.378,285716.4826,10.1560658,26.91106085,13.45553043,21.73044764,26.91106085,3.844437265,13.45553465,0,1.67E-16,2.38E-17,-25.43193482,2000015.378,285716.4826,10.1560658,26.91106085,13.45553043,21.73044764,26.91106085,3.844437265,13.45553465,0,1.67E-16,2.38E-17,-25.43193482,2000015.378,285716.4826,10.1560658,26.91106085,13.45553043,21.73044764,26.91106085,3.844437265,13.45553465,0,1.67E-16,2.38E-17,-25.43193482,2000015.378,285716.4826,10.1560658,28.25151114,14.11583494,22.92952581,28.23733881,4.033905544,14.11583709,-0.01984127,5.00E-16,7.14E-17,-24.66290622,2000015.377,285716.4824,10.1560658,0,11.9,12.10010405,-0.14971926,0.05038983,5.849125,7.255024214,8,20,20,20,8,0,0,0,0,0,13.118484,3.779409198,3.494788484,2.333953166,1.456797487,1.456797487,1.170806539,0.894974521,0.083923071,1.669448105,1.372874417,1.372874417,1.141382914,0.779045592,0.356365969,0.308073976,0.083923071,3.800193139,3.5197718,2.388129683,1.556142907,1.556142907,1.269574154,1.022574191,0.270913902,1.610024989,1.285229005,1.285229005,1.052726359,0.646194696,0.19479179,0.141935624,0.270913902,3.891608187,3.630250716,2.625760501,1.9628467,1.9628467,1.685196715,1.524945462,0.943918427,1.439081626,1.018928274,1.018928274,0.793430324,0.210690605,0.365819748,0.439213362,0.943918427,3.815499378,3.538210096,2.428113331,1.62787375,1.62787375,1.341732761,1.113449496,0.399277246,1.572501263,1.228596505,1.228596505,0.996197615,0.557789948,0.085190751,0.028939256,0.399277246,3.936281699,3.684429719,2.739188636,2.141548494,2.141548494,1.871079853,1.736938149,1.207644823,1.38714554,0.933903671,0.933903671,0.714710248,0.060342152,0.574490322,0.658013677,1.207644823,3.846440713,3.58482559,2.543969196,1.812378158,1.812378158,1.49507074,1.315097227,0.68852459,1.514143081,1.091066682,1.091066682,0.902395372,0.35810256,0.150367895,0.215918832,0.68852459,0,0,0,0,0,0,5,2,0,0.577350269,0.40824829,0,0.333333333,0.353553391,0.577350269,0.40824829,0,0.333333333,0.353553391,0.40824829,0,0,0,0.40824829,0,0,0,0.23570226,0.333333333,0.294627825,0.23570226,0.333333333,0.294627825,4.690234444,3.449489743,3.122453606,1.483163248,0.942809042,0.666666667,0.23570226,0,0.670033492,0.431186218,0.283859419,0.185395406,0.11785113,0.083333333,0.058925565,0,4.690234444,3.449489743,3.122453606,1.483163248,0.942809042,0.666666667,0.23570226,0,0.670033492,0.431186218,0.283859419,0.185395406,0.11785113,0.083333333,0.058925565,0,10.25096682,18.32702112,17.35294118,17.56,11.79132695,144.9122251,0.53952457,0.964580059,0.913312693,0.924210526,0.620596155,7.626959218,2.1965,30.065,20.17296746,31.07194694,40.34593491,5.763704988,20.17296746,5.55E-17,7.93E-18,-26.20096343,2000016.718,285716.674,10.15606627,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,0,0,7.791666667,0,0,0,2.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.552083333,0,0,0,1.1875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.583333333,0,0,0,1.1875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.16666667,1.452380952,0.2,1.583333333,0.2,1.1875,4.764958333,0.145833333,0.083333333,0.583333333,0.145833333,0.083333333,0.583333333,3.5,0.5,0,0,0.44737,0.7,0.44737,0.44737,0.7,0,0,0,0,0.71429,0,0,0,0.28571,0,4,0.57143,4,0.57143,0,0,-4,-0.57143,0,0,5.66047,0.80864,5.66047,0,0,3.44948,0.49278,3.44948,0,0,-0.03548,-0.00507,0.13652,0.0195,0.368421053,22,0,0,0,0,0,0,1,0.949452015,1.267443804,1.867965358,1.957939355,1.867965358,2.024352381,18.03958829,24.08143227,35.49134181,37.20084775,35.49134181,38.46269524,0.223509467,0.298367569,0.439735695,0.460916376,0.439735695,0.476550594,3.298475498,2.98048371,2.379962155,2.289988158,2.379962155,2.223575132,0.219682511,0.293258883,0.432206487,0.45302451,0.432206487,0.468391037,6.790838447,10.60673991,13.30026581,10.20334328,13.30026581,11.00029959,27.3155423,24.33248079,22.35950098,25.81783099,22.35950098,21.03168856,3.9375,1.239669421,0.96,0,0,0,2.23,0.8777,0,0,0,0,4.352752816,6.44394015,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.093,0.104,0.349,0.426,3.523,11,8,8,8,4,0,0,0,0,54,2.197224577,2.48490665,2.197224577,2.197224577,2.197224577,1.609437912,0,0,0,0,4.007333185,1,0.5,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,2,0.25,0,2,4,1,1.5,0.555555556,0.055555556,0,0,0,0,0,0,0,0.1875,0.111111111,0.013888889,0,0,0,0,0,0,0,0.3125,13.45553043,21.73044764,26.91106085,3.844437265,13.45553465,1.67E-16,2.38E-17,-25.43193482,2000015.378,285716.4826,10.1560658,0,104.9154337,3.807354922,3.663561646,4.48863637,5.342334252,6.184148891,7.03966035,7.886457271,8.740816628,9.589666822,10.44292979,78.37821202,2.833213344,2.564949357,4.110873864,4.394449155,5.59471138,6.107022888,7.158513997,7.793586803,8.763584409,9.305286849,96.09390038,5.057573704,13.42423461,1.917747802,0,0,0,46,4,3.521,38,1.239320977,2.165987439,2.969216188,3.90991716,4.930158805,5.575974542,0,0,0,0,92.31920472,72.06596048,68.34016248,103.0764765,43.29748627,5.665546997,0,0,0,0,322.8384398,341.3342557,342.8418415,472.8235703,442.0319505,173.3221676,0,0,0,0,9.068426656,15.47336707,20.77437372,27.3399326,34.50109129,37.46198422,0,0,0,0,2.360157045,2.862284362,3.044271632,4.090362298,4.50127891,2.479150238,0,0,0,0,174.3654411,329.8523345,485.871527,641.9163766,801.9112018,1031.09612,0,0,0,0,2.169565552,3.246151488,3.96968735,5.20942246,6.656245116,5.575974542,0,0,0,0,0.4861063,0.60434345,0.650915039,0.871437542,0.979867214,0.570979793,0,0,0,0,271.8136071,88.82143982,7.352747084,101.233209,-33.08031368,-4.84290759,170.580398,121.9017535,12.19565467,0.728631355,0.2380973,0.019709985,0.271368645,-0.088676038,-0.012982037,101.3992007,33.13455533,2.742918889,37.76472632,-12.3405057,-1.806631257,0.091458982,0.152152132,1.804747925,1.287159447,373.0468161,0,1,0,541.32473,23.26638627,8.149906431,662.4457981,25.73802242,8.71732926,714.2786458,26.72599195,8.939005864,1.506013963,1.506013963,404.08966,387.8226499,64.63109763,1.041944456,6.252248141,6.000558,3.761525938,3.699082161,6.775587481,0.831694238,5.330849391,5.115689657,3.856185026,9.215137252,7.574328334,9.466638975,5.411115209,3.492586556,1.09688033,3.618686956,2.515940481,0.671497397,0.006499059,1.62E-23,7.78E-66,7.22E-130,1.29E-215,4.4E-323,0,0,0,0,0,0,0,0,0,0,0,0,0.447381516,5.112407362,0.174284027,3.12095928,1.095425258,0.947659504,1.166762778,0.167389005,0.239049972,0.102198592,0.114268604,0.004729412,4.58E-05,1.14E-25,5.48E-68,5.08E-132,9.09E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,1.444201421,5.112762839,0.661013466,3.664342566,1.776498199,2.150053607,1.619341018,0.62258426,0.340707617,0.458597577,0.432707898,0.049284112,4.77E-04,1.19E-24,5.71E-67,5.30E-131,9.47E-217,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,5.031886987,5.115377454,3.537095355,8.594218164,6.950785166,8.755313257,5.004895718,3.209936306,1.01838258,3.275561802,2.308137128,0.598292092,0.005790545,1.44E-23,6.94E-66,6.43E-130,1.15E-215,4.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,2.128487036,5.113100247,1.073770007,4.245371405,2.43448112,3.134760752,2.052882997,1.001437696,0.432299394,0.810558853,0.702315429,0.107051675,0.001036095,2.58E-24,1.24E-66,1.15E-130,2.06E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,6.437772608,5.116971935,5.144004246,11.79552246,10.14066657,12.31586147,7.081370361,4.628907195,1.417022765,5.034287051,3.354347895,0.979315842,0.009478267,2.36E-23,1.14E-65,1.05E-129,1.88E-215,6.4E-323,0,0,0,0,0,0,0,0,0,0,0,0,3.715337954,5.025345154,2.21568177,6.218487394,4.589712452,5.87115005,3.362883473,2.08808947,0.725404655,1.945809063,1.490396677,0.318334163,0.003080984,7.68E-24,3.69E-66,3.42E-130,6.12E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,4.516072044,0.864737276,0.729781005,0.739056589,0.141514523,0.629935291,0.405567745,0.408094309,6.110590324,7.832028269,16.79257093,0.608584884,1.443597345,3.784119032,0.42166729,0.25567642,0.848179006,0.094513238,0.442061501,0.111900449,0.054468638,4.461462742,2.670959605,7.540389669,0.772268509,0.608430588,4.060964783,0.586879296,0.437542237,0.798555809,0.115405057,0.509196425,0.203600945,0.154435796,5.085386316,4.416924249,10.5451033,0.697833713,0.867233167,4.496486397,0.85258752,0.717407671,0.741201689,0.140540692,0.6244733,0.395239917,0.394979303,6.066481588,7.671114848,16.48788505,0.611802533,1.41469252,4.190051747,0.664801913,0.521378873,0.779365796,0.123655721,0.542131262,0.253874099,0.215709373,5.376232532,5.316772545,12.1453343,0.669048694,1.011714734,4.577913367,0.903221844,0.768721363,0.732482948,0.144518811,0.647338558,0.43942222,0.4509182,6.249856574,8.348337081,17.7767576,0.598724422,1.537678977,4.505745941,0.856740696,0.721341668,0.740610306,0.140822629,0.62704693,0.398775675,0.399151434,6.083828306,7.728440971,16.59683272,0.610915459,1.424974039 +UMLRON0261,L,dicyclopropylmethane,C1CC1CC2CC2,111091,,UML,[1],C7H12,PubChem,,95.1,0,0.6091,0.37100281,31.6778,20.321516,0,0,19,7,12,0,7,0,0,0,0,0,0,0,0,0,1022.041615,1155.133903,1415.474264,883.88362,508.573634,138.343968,12.192768,0,0,3337.623245,4341.457709,6015.190369,4945.086311,3232.728704,1675.789819,373.0049332,0,0,133.40518,138.195196,256.823648,308.480656,230.139272,185.390208,80.621568,0,0,24.85765486,32.88483172,48.80792084,44.99446992,30.73263394,18.69386248,5.335354858,0,0,3106.572317,2725.031065,5524.351915,7140.801002,5445.519152,4674.825562,2219.011824,0,0,31.77777778,38.83333333,63.16666667,67.66666667,48.5,34,12,0,0,53.79166395,60.79652121,39.31872956,20.08826409,15.41132224,5.123850667,1.016064,0,0,175.6643813,228.4977741,167.0886214,112.3883252,97.96147587,62.06628959,31.08374443,0,0,7.021325263,7.273431368,7.133990222,7.010924,6.973917333,6.866304,6.718464,0,0,1.308297624,1.730780617,1.355775579,1.022601589,0.931291938,0.692365277,0.444612905,0,0,163.5038062,143.4226876,153.4542199,162.2909319,165.0157319,173.1416875,184.917652,0,0,1.67251462,2.043859649,1.75462963,1.537878788,1.46969697,1.259259259,1,0,0,0.033939398,0.001343166,-0.008603002,-0.018841966,-0.001665108,0.00271418,0.008083031,0,0,535.2391977,5.19E-13,-90.21262166,-219.9980662,-152.2547592,-2.347540341,197.1933886,0,0,995.3001436,-5.68E-14,-167.7542222,-409.0957984,-283.1242263,-4.365351507,366.6895266,0,0,0.104849684,1.51E-15,-0.017672033,-0.043096111,-0.029825662,-4.60E-04,0.038628831,0,0,4.449454733,4.05E-15,-0.749939426,-1.828848562,-1.265697023,-0.019515152,1.639272796,0,0,24.16950873,7.99E-14,-4.073682862,-9.934334414,-6.875286317,-0.106006617,8.904555847,0,0,2.298245614,-0.195906433,-0.348722684,-0.667282241,-0.570637119,-0.090489381,0.723915051,0,0,0.001786284,7.07E-05,-2.39E-04,-4.28E-04,-5.05E-05,1.01E-04,6.74E-04,0,0,28.17048409,2.73E-14,-2.505906157,-4.99995605,-4.613780583,-0.086945939,16.43278239,0,0,52.38421809,-2.99E-15,-4.659839506,-9.297631781,-8.57952201,-0.161679685,30.55746055,0,0,0.005518404,7.95E-17,-4.91E-04,-9.79E-04,-9.04E-04,-1.70E-05,0.003219069,0,0,0.234181828,2.13E-16,-0.020831651,-0.04156474,-0.038354455,-7.23E-04,0.136606066,0,0,1.272079407,4.21E-15,-0.113157857,-0.225780328,-0.20834201,-0.003926171,0.742046321,0,0,0.120960295,-0.010310865,-0.009686741,-0.015165505,-0.017292034,-0.003351459,0.060326254,0,0,0.039575419,-0.133781781,-0.239730346,-0.028247366,0.056276151,0.377087783,0,0,9.69E-16,-0.088955026,-0.177489177,-0.163780664,-0.00308642,0.583333333,0,0,-5.71E-17,-0.088955026,-0.177489177,-0.163780664,-0.00308642,0.583333333,0,0,1.44E-14,-0.088955026,-0.177489177,-0.163780664,-0.00308642,0.583333333,0,0,9.11E-16,-0.088955026,-0.177489177,-0.163780664,-0.00308642,0.583333333,0,0,3.31E-15,-0.088955026,-0.177489177,-0.163780664,-0.00308642,0.583333333,0,0,-0.08524173,-0.08008199,-0.125375896,-0.14295628,-0.027707096,0.498727735,0,0,1.175915285,1.254578859,1.276364396,0.941423138,0.598274874,0.009362672,0,0,1.285714286,1.1875,1.11038961,1.048701299,0.753968254,0,0,0,1.285714286,1.1875,1.11038961,1.048701299,0.753968254,0,0,0,1.285714286,1.1875,1.11038961,1.048701299,0.753968254,0,0,0,1.285714286,1.1875,1.11038961,1.048701299,0.753968254,0,0,0,1.285714286,1.1875,1.11038961,1.048701299,0.753968254,0,0,0,1.374045802,1.102894402,1.077897294,1.097675226,0.797709924,0,0,0,23.43607279,11.7180364,17.66296115,23.43607279,3.348010399,11.71806268,-7.11E-15,0.124913877,0.01784484,-1.456091536,55.20545693,7.886493847,2.807743264,23.43607279,11.7180364,17.66296115,23.43607279,3.348010399,11.71806268,-7.11E-15,0.124913877,0.01784484,-1.456091536,55.20545693,7.886493847,2.807743264,23.43607279,11.7180364,17.66296115,23.43607279,3.348010399,11.71806268,-7.11E-15,0.124913877,0.01784484,-1.456091536,55.20545693,7.886493847,2.807743264,23.43607279,11.7180364,17.66296115,23.43607279,3.348010399,11.71806268,-7.11E-15,0.124913877,0.01784484,-1.456091536,55.20545693,7.886493847,2.807743264,23.43607279,11.7180364,17.66296115,23.43607279,3.348010399,11.71806268,-7.11E-15,0.124913877,0.01784484,-1.456091536,55.20545693,7.886493847,2.807743264,23.43607279,11.7180364,17.66296115,23.43607279,3.348010399,11.71806268,-7.11E-15,0.124913877,0.01784484,-1.456091536,55.20545693,7.886493847,2.807743264,24.9744356,12.43166225,18.67816503,24.89507052,3.556438646,12.43167536,-0.111111111,0.06001718,0.008573883,-1.969187101,53.17751416,7.596787737,2.781544949,0,11.9,12.10010405,-0.138955647,0.061654571,5.483371444,8.12075541,7,19,18,18,6,1,1,0,0,1,13.118484,3.697845023,3.000006459,2.386441979,2.287266273,1.578943158,1.146644373,0.33224384,0.083923071,1.812982874,1.688009678,1.411981227,0.828545755,0.644337811,0.539995336,0.083923071,0.083923071,3.716038364,3.041468863,2.431368911,2.340345107,1.673208836,1.264009038,0.462866232,0.270913902,1.760196156,1.619984647,1.3275882,0.696279603,0.503728022,0.39604531,0.270913902,0.270913902,3.798333088,3.222867839,2.634884405,2.57152939,2.057833821,1.728447911,0.957943159,0.943918427,1.617992325,1.417783233,1.062816224,0.261155555,0.042566588,0.093984872,0.943918427,0.943918427,3.729560522,3.07200298,2.46482111,2.37945964,1.741150428,1.347711159,0.554853957,0.399277246,1.727736984,1.576463023,1.272382036,0.608163068,0.410112551,0.299038661,0.399277246,0.399277246,3.839855211,3.309932429,2.736796993,2.680327181,2.226766195,1.925803745,1.207644823,1.207644823,1.577636859,1.354240218,0.975305341,0.110189835,0.116569344,0.271675982,1.15551411,1.207644823,3.750279379,3.145806865,2.549266749,2.41842604,1.849527541,1.470497319,0.702453117,0.6,1.676211915,1.563369207,1.147605811,0.477489125,0.272164465,0.149416488,0.6,0.6,0,0,0,1,1,1,4,0,0,0,0,0.144337567,0.102062073,0.102062073,0,0,0.102062073,0.072168784,0.072168784,0.204124145,0,0,0,0.144337567,0,0,0,0.49279928,0.594861352,0.204124145,0.348461713,0.420630496,0.144337567,5.112884175,3.431851653,2.558730745,2.052095141,1.418611262,0.49279928,0.204124145,0,0.730412025,0.490264522,0.319841343,0.228010571,0.157623474,0.12319982,0.102062073,0,4.905777394,3.111136987,2.108154351,1.58915195,1.058486698,0.37139964,0.144337567,0,0.700825342,0.444448141,0.263519294,0.176572439,0.117609633,0.09284991,0.072168784,0,10.25096682,18.32702112,17.35294118,17.56,11.79132695,144.9122251,0.53952457,0.964580059,0.913312693,0.924210526,0.620596155,7.626959218,2.43289,31.955,22.87726984,33.16178179,45.75453968,6.536362811,22.87726984,0.106509552,0.01521565,-1.567664427,23.73191568,3.390273668,2.216774557,44,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,5,3,0,1,0,0,0,0,0,0,0,0,1,0,4,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,1.369791667,0.870833333,0,0.288541667,0,0,0,0,0,0,0,0,2.233287037,0,5.391712963,0,2.375,0,0,0,0,1.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.243402778,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.233287037,0,1.277777778,0,2.375,0,0,0,0,1.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.290277778,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.233287037,0,1.405925926,0,2.375,0,0,0,0,1.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.66666667,1.666666667,0.290277778,2.375,0.041666667,1.277777778,3.993585648,0.222222222,0.375,1.216574074,0.222222222,0.375,1.216574074,3.5,0.5,0,0,0.44737,0.7,0.43333,0.43333,0.7,0.01404,0.01404,0,0,0.71429,0,0,0.14286,0.14286,0,4.5,0.64286,3.5,0.5,1,0.14286,-2.5,-0.35714,0,0,5.57614,0.79659,6.53706,0.96091,0.13727,2.91672,0.41667,3.43185,0.51512,0.07359,-0.01785,-0.00255,0.06815,0.00974,0.263157895,7,0,0,0,0,0,0,0.714285714,0.949452015,1.994841445,2.970840013,3.366091329,3.576617645,3.576617645,18.03958829,37.90198745,56.44596025,63.95573525,67.95573525,67.95573525,0.223509467,0.469603457,0.699362219,0.792407902,0.841967673,0.841967673,3.298475498,2.253086069,1.2770875,0.881836184,0.671309869,0.671309869,0.219682511,0.461562849,0.687387654,0.778840197,0.8275514,0.8275514,6.790838447,16.46261862,19.04005469,20.59546991,20.8076436,20.8076436,27.3155423,18.17927904,16.12953415,14.13567519,13.61023202,13.61023202,5.142857143,2.34375,1.185185185,2,2,2,2.23,0.9433,0,1.850535862,0.5,0,5.676240019,3.789291416,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.076,0.353,0.392,3.54,8,9,9,4,2,0,0,0,0,46,2.197224577,2.48490665,2.708050201,2.772588722,1.945910149,1.386294361,0,0,0,0,4.17438727,1.391304348,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,2,0.285714286,0,2,4,1,1,0.444444444,0.222222222,0.125,0,0,0,0,0,0,0.142857143,0.055555556,0.055555556,0.0625,0,0,0,0,0,0,0.316468254,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,0,114.6354337,3.807354922,3.433987204,4.17438727,4.934473933,5.693732139,6.459904454,7.22329568,7.990576882,8.755107122,9.522446728,72.18791141,2.708050201,0,3.850147602,2.397895273,5.176149733,4.442651256,6.577861358,6.259581464,8.017966703,8.436416881,96.09390038,5.057573704,13.58523637,1.940748052,0,0,0,43,4,2.855,30,1.288446475,2.268175339,3.117199226,3.951675891,4.629182039,5.601489374,0,0,0,0,93.06062725,98.78658284,70.03186961,68.15670177,25.86484852,5.6914717,0,0,0,0,328.8175894,406.4326173,372.510353,409.1005868,303.4991967,174.1152641,0,0,0,0,9.418553152,16.24339963,21.9087398,27.61359236,31.86259209,37.63340471,0,0,0,0,2.416719621,3.242694496,3.326039261,3.818220527,3.334492849,2.490494462,0,0,0,0,181.8584459,343.5830373,501.9292508,648.0632687,795.3534764,1035.814263,0,0,0,0,2.721561975,4.086301637,4.889830077,5.888136066,5.977862354,5.601489374,0,0,0,0,0.4982543,0.679248311,0.710926566,0.822303095,0.736564444,0.573592512,0,0,0,0,304.7090929,111.5912026,9.106434378,141.8963154,-51.965566,-6.066380229,162.8127775,163.5567686,15.17281461,0.682278108,0.249865319,0.020390336,0.317721892,-0.116356777,-0.013583311,136.0847288,49.83723459,4.066982843,63.37166186,-23.20810282,-2.709278219,0.156086735,0.231446555,3.411522794,2.620325531,446.6054082,0,1,0,420.0728545,20.49567892,7.489305377,536.5295998,23.1631086,8.125770687,654.945453,25.5919021,8.684304519,1.462289308,1.384635505,359.9325545,302.6897255,101.9541916,1.189113882,3.530336015,2.968879658,3.819817699,3.548126297,6.601908458,0.860674594,3.42848078,3.664383848,6.422089709,9.454306767,6.934353634,11.74906589,4.594759968,6.089064237,3.224657233,2.787160634,1.507676584,0.355197182,1.31E-07,9.36E-36,1.29E-85,3.42E-157,1.75E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0.287743117,3.664154529,1.716084788,3.205128221,0.344688435,1.255298531,0.151945825,0.394174735,0.347261847,0.172095395,0.010660549,0.002501683,9.23E-10,6.59E-38,9.08E-88,2.41E-159,1.24E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0.928834632,3.664170301,2.622736713,4.082503792,1.155059514,2.953939261,0.624473017,0.929306071,0.858900465,0.596274393,0.110762475,0.026069464,9.62E-09,6.87E-37,9.46E-87,2.51E-158,1.29E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,3.236207071,3.664358829,6.114907857,8.930861259,6.341772803,10.94979857,4.169116881,5.518503201,3.021725307,2.588291272,1.343341516,0.316474294,1.17E-07,8.34E-36,1.15E-85,3.05E-157,1.56E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,1.368923859,3.664190343,3.261141929,4.803032892,1.870123313,4.251645901,1.077814407,1.482920367,1.232600973,0.92000592,0.240487892,0.056626358,2.09E-08,1.49E-36,2.05E-86,5.46E-158,2.80E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,4.140383782,3.664488948,7.581113841,11.55234317,9.343197798,14.88648033,6.345190932,8.453572957,4.006429315,3.567512675,2.198668072,0.518021708,1.91E-07,1.36E-35,1.88E-85,4.99E-157,2.56E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,2.066896953,3.635719787,4.252794891,6.168468218,3.419783416,6.832440592,1.935641809,2.61198299,1.842176925,1.431639309,0.542949744,0.127870986,4.72E-08,3.37E-36,4.64E-86,1.23E-157,6.31E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,3.96102803,1.417459021,0.633960437,0.658804595,0.235754079,0.595354291,0.571757808,0.446782881,6.012447488,9.024342917,18.59622145,0.488206892,1.613894979,2.932147455,0.830989336,0.234476433,0.733474523,0.20787137,0.326610915,0.196353051,0.06092192,3.997613224,3.31895016,7.887884737,0.600211785,0.583885886,3.321374852,1.052843682,0.385678099,0.697782979,0.221190451,0.418864319,0.315291202,0.165133212,4.759896633,5.183928818,11.29249877,0.546674468,0.899288733,3.933505456,1.401770229,0.623281617,0.660143934,0.235253293,0.587123434,0.559160406,0.431845352,5.958557302,8.8392501,18.23450174,0.4902159,1.578129191,3.502831609,1.156275603,0.456133015,0.684783403,0.22604522,0.465787578,0.380336709,0.231104185,5.115240227,6.175411352,13.13809919,0.527175104,1.077228472,4.047927116,1.466994579,0.667675401,0.654729243,0.237278049,0.621718129,0.612454822,0.495606647,6.182597096,9.620464689,19.76791003,0.482093864,1.729779598,3.936819431,1.403501412,0.624595522,0.659995747,0.235292723,0.588072742,0.56065036,0.432992649,5.964916365,8.860872115,18.27688588,0.48999362,1.581715751 +UMLRON0262,L,1-ethylcyclopentene,CCC1=CCCC1,137448,,"Sandia, UML",[1],C7H12,PubChem,,90.3,0,-0.519,0.269361,35.8531,26.508688,0,0,25,9,16,0,9,0,0,0,0,0,0,0,0,0,1314.634113,1636.354618,2415.253022,1592.176495,941.542228,387.593305,79.840656,6.096384,0,4308.992027,6070.954879,9849.478304,9019.596276,5942.054793,3265.869607,1164.274226,186.5024666,0,175.360068,189.287272,387.07916,548.156284,470.921296,303.619492,163.238976,40.310784,0,32.21390648,45.70570896,78.23492116,81.86066088,57.67197385,33.9480202,14.01536674,2.667677429,0,4099.831637,3717.904324,8154.383728,12554.13899,11483.43934,7505.941516,4279.048127,1109.505912,0,36.58333333,46.02777778,83.80555556,107.75,88.75,57,27.5,6,0,52.58536452,62.93671608,44.72690781,20.41251917,13.84620924,8.80893875,3.326694,1.016064,0,172.3596811,233.4982646,182.3977464,115.6358497,87.38315872,74.22430925,48.51142609,31.08374443,0,7.01440272,7.280279692,7.168132593,7.027644667,6.925313176,6.900443,6.801624,6.718464,0,1.288556259,1.757911883,1.448794836,1.049495652,0.848117262,0.771545914,0.583973614,0.444612905,0,163.9932655,142.9963202,151.0071061,160.9504998,168.8741079,170.5895799,178.293672,184.917652,0,1.463333333,1.770299145,1.551954733,1.381410256,1.305147059,1.295454545,1.145833333,1,0,0.032161983,-6.13E-04,-0.005805726,-0.020670932,0.004984284,-0.003000307,0.005358664,0.003665892,0,697.3402118,49.58863729,-72.83331101,-543.7316596,25.76284672,-60.24244608,158.6448982,94.1409286,0,1296.733901,92.21218854,-135.4366519,-1011.092239,47.90711358,-112.0234009,295.0069626,175.0590767,0,0.13660416,0.009714074,-0.014267546,-0.106513299,0.005046765,-0.011801082,0.031077446,0.018441562,0,5.797003881,0.412231387,-0.60546485,-4.520052748,0.214167088,-0.500796724,1.318818383,0.782595524,0,31.48941709,2.239247437,-3.288894673,-24.55299827,1.16335902,-2.720335754,7.163842387,4.251071307,0,1.773333333,-0.369822222,-0.304844444,-0.566133333,0.336533333,-0.3244,0.1476,0.1944,0,0.001286479,-2.36E-05,-1.08E-04,-2.65E-04,7.33E-05,-6.82E-05,2.23E-04,6.11E-04,0,27.89360847,1.90725528,-1.348765019,-6.970918713,0.378865393,-1.369146502,6.610204091,15.69015477,0,51.86935606,3.546622636,-2.508086147,-12.96272102,0.704516376,-2.545986385,12.29195677,29.17651278,0,0.005464166,3.74E-04,-2.64E-04,-0.001365555,7.42E-05,-2.68E-04,0.001294894,0.003073594,0,0.231880155,0.015855053,-0.011212312,-0.057949394,0.003149516,-0.011381744,0.054950766,0.130432587,0,1.259576683,0.086124901,-0.060905457,-0.314782029,0.017108221,-0.061825813,0.298493433,0.708511884,0,0.070933333,-0.014223932,-0.005645267,-0.00725812,0.00494902,-0.007372727,0.00615,0.0324,0,-0.018322711,-0.083571844,-0.205997833,0.056975886,-0.053004186,0.173557125,0.474925657,0,0.068376068,-0.048353909,-0.249910969,0.013582516,-0.049084596,0.236979167,0.5625,0,0.068376068,-0.048353909,-0.249910969,0.013582516,-0.049084596,0.236979167,0.5625,0,0.068376068,-0.048353909,-0.249910969,0.013582516,-0.049084596,0.236979167,0.5625,0,0.068376068,-0.048353909,-0.249910969,0.013582516,-0.049084596,0.236979167,0.5625,0,0.068376068,-0.048353909,-0.249910969,0.013582516,-0.049084596,0.236979167,0.5625,0,-0.200525352,-0.079585538,-0.102323115,0.069770013,-0.103938824,0.086701128,0.456766917,0,1.372237257,1.181823083,1.15549041,0.840847929,0.92915953,0.511805907,0.005185439,0,1.282051282,1.234567901,1.228632479,0.827205882,0.852272727,0.434027778,0,0,1.282051282,1.234567901,1.228632479,0.827205882,0.852272727,0.434027778,0,0,1.282051282,1.234567901,1.228632479,0.827205882,0.852272727,0.434027778,0,0,1.282051282,1.234567901,1.228632479,0.827205882,0.852272727,0.434027778,0,0,1.282051282,1.234567901,1.228632479,0.827205882,0.852272727,0.434027778,0,0,1.633892423,0.988582568,0.89888182,0.892857143,1.24316473,0.77537594,0,0,36.69991975,18.34995988,26.95406031,36.69991975,4.077768861,18.34995992,-2.84E-14,0.178591935,0.019843548,-1.550386594,73.43100289,8.159000321,3.866711606,36.69991975,18.34995988,26.95406031,36.69991975,4.077768861,18.34995992,-2.84E-14,0.178591935,0.019843548,-1.550386594,73.43100289,8.159000321,3.866711606,36.69991975,18.34995988,26.95406031,36.69991975,4.077768861,18.34995992,-2.84E-14,0.178591935,0.019843548,-1.550386594,73.43100289,8.159000321,3.866711606,36.69991975,18.34995988,26.95406031,36.69991975,4.077768861,18.34995992,-2.84E-14,0.178591935,0.019843548,-1.550386594,73.43100289,8.159000321,3.866711606,36.69991975,18.34995988,26.95406031,36.69991975,4.077768861,18.34995992,-2.84E-14,0.178591935,0.019843548,-1.550386594,73.43100289,8.159000321,3.866711606,36.69991975,18.34995988,26.95406031,36.69991975,4.077768861,18.34995992,-2.84E-14,0.178591935,0.019843548,-1.550386594,73.43100289,8.159000321,3.866711606,40.36312728,20.07372735,29.65911121,40.29368283,4.47707587,20.07372735,-0.125,0.132426612,0.014714068,-1.819553996,58.08542941,6.453936601,3.655723363,0,11.9,12.1001487,-0.14233521,0.058021305,5.592496439,8.875286223,10,26,26,26,10,0,0,0,0,0,17.491312,3.815581434,3.130561673,2.651344861,2.489066665,2.300015105,1.678903774,1.237041468,0.897311967,1.92032553,1.695403632,1.587143715,1.275217274,0.843571365,0.734954337,0.509936521,0.385174528,3.834834169,3.166418399,2.695183781,2.531137307,2.355316854,1.768117789,1.345365343,1.025598039,1.868311308,1.634073692,1.510403232,1.180765806,0.712824467,0.597783134,0.36187038,0.229863624,3.919826711,3.325122545,2.89151067,2.717839236,2.596735556,2.136600462,1.782071346,1.529544334,1.718991812,1.459966899,1.276406156,0.88804356,0.283948673,0.143037108,0.137300177,0.297573879,3.849028504,3.192916985,2.727779882,2.56222078,2.396069412,1.832699373,1.423155417,1.116879905,1.835523394,1.595592584,1.460706358,1.119275447,0.625812964,0.506161059,0.26235964,0.125218908,3.961568161,3.402463509,2.987157376,2.809674639,2.711277247,2.300451029,1.970962674,1.741819699,1.673502386,1.40755142,1.201623989,0.792506546,0.135625739,0.016409533,0.315485351,0.487692049,3.841292356,3.331510474,2.816825302,2.605204357,2.49706146,2.00110641,1.581525208,1.296376334,1.803557858,1.558674962,1.3260536,0.961865328,0.428699271,0.319740775,0.075867271,0.066505751,0,0,0,0,0,1,5,3,0,0,0,0.214076175,0.423540242,0.645391651,0,0,0.214076175,0.423540242,0.645391651,0.537457479,0,0.083333333,0,0.537457479,0,0.083333333,0,1.328412235,2.137065828,2.070500619,1.328412235,2.137065828,2.070500619,6.267584714,4.398178148,3.843187795,3.408915358,2.876464011,1.788440543,0.884736607,0.308603994,0.696398302,0.439817815,0.274513414,0.179416598,0.11505856,0.077758284,0.055296038,0.044086285,6.267584714,4.398178148,3.843187795,3.408915358,2.876464011,1.788440543,0.884736607,0.308603994,0.696398302,0.439817815,0.274513414,0.179416598,0.11505856,0.077758284,0.055296038,0.044086285,13.33462243,24.10269483,22.80392157,23.08,15.38843593,190.9687353,0.533384897,0.964107793,0.912156863,0.9232,0.615537437,7.638749413,2.8326,39.229,42.01487823,57.57805342,84.02975646,9.336639606,42.01487823,0.060163343,0.006684816,-2.529622836,40.90222947,4.544692163,3.340066115,75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,1,0,5,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,2.352546296,0,7.713472222,0,0,0,3.433981481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.352546296,0,1.445601852,0,0,0,1.128472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.352546296,0,1.581851852,0,0,0,1.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.5,1.5,0.2,2.352546296,0.2,1.128472222,6.193635741,0.204861111,0.352546296,1.240833333,0.204861111,0.352546296,1.240833333,4.5,0.5,0,0,0.444,0.7,0.444,0.444,0.7,0,0,0,0,0.71429,0,0,0.11111,0.33333,0,5,0.55556,5,0.55556,0,0,-5,-0.55556,0,0,9.45953,1.05106,9.45953,0,0,4.39816,0.48868,4.39816,0,0,0.01584,0.00176,0.18784,0.02087,0.28,28,0,0,0,0,0,0,1,0.942683189,1.429275071,2.694693952,3.38346519,3.448884071,3.749275071,23.56707973,35.73187677,67.36734879,84.58662974,86.22210176,93.73187677,0.202995776,0.307777634,0.580270758,0.728589571,0.74267676,0.807362441,3.701173001,3.214581119,1.949162238,1.260391,1.194972119,0.894581119,0.200552128,0.304072631,0.573285504,0.719818866,0.733736475,0.797643475,6.78267514,12.62177772,18.45424674,18.81649342,19.7617982,22.15520198,35.24630968,28.24639181,21.32799812,20.40054013,19.17048306,15.57441866,5.76,2,0.797783934,2,0,2,2.45,1.1595,0,1.670812655,1.040041912,0,4.427337466,9.818905799,0,1.889881575,0,0,0,0,0,0,0,0,0,0,0,0.003,0.111,0.124,0.31,0.411,4.293,14,19,25,23,16,7,2,0,0,125,2.397895273,2.708050201,2.995732274,3.258096538,3.17805383,2.833213344,2.079441542,1.098612289,0,0,4.836281907,1,0.4,2,0,0,2,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,3,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,2,0.2,0,3,5,0.666666667,2,0.888888889,0.409722222,0.276111111,0.0625,0,0,0,0,0,0.2,0.063492063,0.058531746,0.069027778,0.0625,0,0,0,0,0,0.453551587,18.34995988,26.95406031,36.69991975,4.077768861,18.34995992,0.178591935,0.019843548,-1.550386594,73.43100289,8.159000321,3.866711606,0,139.5074029,4.169925001,3.891820298,4.744932128,5.624017506,6.49677499,7.379632153,8.257126286,9.139810606,10.01900135,10.90115549,85.4542708,3.044522438,0,4.343805422,3.044522438,5.860786223,5.351858133,7.471363088,7.390798522,9.130322664,9.494917629,124.1252005,4.96500802,18.30374566,2.033749518,0,0,0,80,7,4.598,48,1.266169802,2.179059425,2.927500671,3.629805531,4.119441539,4.598850733,5.668557088,0,0,0,92.14547178,105.0473988,63.24529702,51.75134321,38.2946391,16.56293956,5.759616789,0,0,0,324.7535683,418.2334177,352.1514648,321.3601677,311.6730196,232.6301702,176.1999798,0,0,0,9.257930637,15.66330746,20.61910285,25.14665874,28.4400876,31.32514405,38.08399673,0,0,0,2.383731186,3.281128341,3.16674381,3.103728605,3.214956197,2.761841158,2.520313633,0,0,0,178.5759707,325.9763949,467.6806003,612.3295272,701.7080427,816.3225069,1048.216267,0,0,0,2.291819693,3.44131992,4.101593551,4.749472721,5.362668657,5.360376847,5.668557088,0,0,0,0.491332821,0.685107195,0.677217644,0.673208971,0.704029884,0.618437395,0.580460246,0,0,0,321.3448732,136.8794382,8.501594289,77.17499068,-32.87330918,-4.126655654,244.1698825,169.7527474,12.62824994,0.806345937,0.34346955,0.021332925,0.193654063,-0.082488509,-0.010354956,128.0623151,54.54917508,3.388054198,30.75576678,-13.1006667,-1.644554249,0.070743494,0.152415474,1.045413985,3.532633438,398.5198638,0,1,0,632.8157207,25.15582876,8.585371384,787.808298,28.06792294,9.235778675,1144.628059,33.83235226,10.46055665,1.205336143,1.130279003,377.0273319,351.6023906,165.6399639,1.072311628,2.276185788,2.122690576,3.76520142,3.407468915,6.414749876,0.882555655,4.46240887,8.231766662,5.906965811,15.50862866,10.29965386,11.01419978,10.78113986,4.037903089,2.325007599,2.970114203,2.028206728,0.483474158,1.33E-15,7.08E-52,7.26E-110,1.44E-189,5.48E-291,0,0,0,0,0,0,0,0,0,0,0,0,0,0.37449906,7.604071937,0.374132859,4.90674346,1.447299058,1.722067697,2.011191706,0.296769724,0.104165232,0.130396705,0.014284828,0.003405148,9.38E-18,4.99E-54,5.11E-112,1.01E-191,3.86E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928603,7.646016458,1.287148149,6.290668506,2.676710074,3.094464299,2.903326832,0.965516074,0.395842086,0.499259599,0.148858906,0.035484268,9.78E-17,5.20E-53,5.33E-111,1.05E-190,4.02E-292,0,0,0,0,0,0,0,0,0,0,0,0,0,4.21214996,8.162851532,5.491710909,14.58359912,9.553403349,10.25985306,9.926567884,3.775301559,2.13186478,2.721700341,1.807095682,0.430766771,1.19E-15,6.31E-52,6.47E-110,1.28E-189,4.88E-291,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738325,7.700399084,1.978144465,7.472331087,3.692146763,4.192254683,3.782383901,1.452766875,0.644064677,0.815058542,0.323341428,0.077076571,2.12E-16,1.13E-52,1.16E-110,2.29E-190,8.73E-292,0,0,0,0,0,0,0,0,0,0,0,0,0,5.38900497,8.521545326,7.531371899,19.24696228,13.29466876,14.01781502,14.30593935,5.048316872,3.105057162,3.974545735,2.95794889,0.705101622,1.94E-15,1.03E-51,1.06E-109,2.09E-189,7.99E-291,0,0,0,0,0,0,0,0,0,0,0,0,0,3.098895048,7.468678467,3.467618252,10.62215931,6.28454143,6.660692276,6.776015801,2.705573653,1.224809371,1.743819366,0.901425228,0.214877404,5.92E-16,3.15E-52,3.23E-110,6.38E-190,2.43E-291,0,0,0,0,0,0,0,0,0,0,0,0,0,3.088146884,1.301548416,1.074120384,0.565199681,0.238212358,0.501761876,0.49809714,0.43487141,5.463815685,8.734433889,18.51553971,0.347799522,1.434730426,2.277303537,0.770042348,0.564762198,0.630463841,0.21318364,0.274374958,0.168481892,0.117155092,3.612108083,3.474645924,8.077132385,0.445695762,0.560011942,2.586708104,0.972370343,0.761660496,0.59867262,0.225047233,0.352969959,0.272043964,0.215595223,4.320738943,5.226047703,11.46254426,0.39800893,0.840609145,3.066757241,1.287479848,1.060934305,0.566326902,0.237754219,0.494870868,0.486950936,0.424061149,5.415171394,8.567947645,18.17209947,0.349490353,1.405882953,2.729863222,1.066199387,0.851627673,0.587359109,0.229404139,0.392737255,0.329118515,0.27080369,4.647690282,6.14341046,13.26982993,0.381038663,0.99265946,3.155570444,1.345907845,1.115611794,0.561780281,0.239609446,0.523801938,0.534114472,0.469773342,5.617090083,9.269009285,19.62422205,0.342670421,1.527689752,3.081439624,1.290978343,1.063665605,0.5668492,0.237483167,0.499497237,0.489855851,0.42641306,5.436083572,8.628862421,18.29628416,0.3502738,1.415766148 +UMLRON0263,L,"2-ethylbicyclo (2,2,1) heptane",CCC1CC2CCC1C2,137449,,UML,[1],C9H16,UML,,51.9,0,0.778,0.605284,25.9742,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,1010.869782,971.590877,834.439204,261.446976,24.385536,0,0,0,2914.106344,3917.940807,4660.986792,4455.056101,2885.323472,746.0098663,0,0,0,125.864664,130.65468,233.802932,273.291664,270.003456,161.243136,0,0,0,22.06875486,30.09593172,39.77228944,40.09567977,30.71853139,10.67070972,0,0,0,2979.777961,2598.236709,5175.763951,6343.393159,6575.886343,4438.023649,0,0,0,28.05555556,34.02777778,50.33333333,59.33333333,53,24,0,0,0,48.76541633,56.15943233,29.44214779,21.39587703,6.703768615,1.016064,0,0,0,161.8947969,217.6633782,141.242024,114.2322077,73.98265312,31.08374443,0,0,0,6.992481333,7.258593333,7.084937333,7.007478564,6.923165538,6.718464,0,0,0,1.226041937,1.671996207,1.205220892,1.028094353,0.787654651,0.444612905,0,0,0,165.54322,144.3464838,156.8413318,162.6511066,168.6124703,184.917652,0,0,0,1.558641975,1.890432099,1.525252525,1.521367521,1.358974359,1,0,0,0,0.023867144,-0.003060234,-0.006920873,-0.001898084,-0.014874291,0.01481991,0,0,0,484.264036,4.76E-13,-161.4213453,-121.066009,-282.4873543,322.8426907,0,0,0,900.5096538,2.98E-13,-300.1698846,-225.1274134,-525.297298,600.3397692,0,0,0,0.094864,1.36E-15,-0.031621333,-0.023716,-0.055337333,0.063242667,0,0,0,4.025697139,3.16E-15,-1.341899046,-1.006424285,-2.348323331,2.683798093,0,0,0,21.86765075,6.62E-14,-7.289216918,-5.466912688,-12.75612961,14.57843384,0,0,0,1.975308642,-0.87962963,0.245884774,-0.116255144,-1.233539095,0.995884774,0,0,0,0.001325952,-1.70E-04,-2.10E-04,-4.87E-05,-3.81E-04,6.17E-04,0,0,0,26.90355756,2.64E-14,-4.891555919,-3.104256641,-7.243265496,13.45177878,0,0,0,50.0283141,1.66E-14,-9.096057109,-5.77249778,-13.46916149,25.01415705,0,0,0,0.005270222,7.57E-17,-9.58E-04,-6.08E-04,-0.001418906,0.002635111,0,0,0,0.223649841,1.76E-16,-0.040663607,-0.025805751,-0.060213419,0.111824921,0,0,0,1.214869486,3.68E-15,-0.220885361,-0.140177248,-0.327080246,0.607434743,0,0,0,0.109739369,-0.048868313,0.007451054,-0.002980901,-0.031629208,0.041495199,0,0,0,-0.128219521,-0.158168133,-0.036704803,-0.287636319,0.465700149,0,0,0,9.83E-16,-0.181818182,-0.115384615,-0.269230769,0.5,0,0,0,3.31E-16,-0.181818182,-0.115384615,-0.269230769,0.5,0,0,0,1.44E-14,-0.181818182,-0.115384615,-0.269230769,0.5,0,0,0,7.86E-16,-0.181818182,-0.115384615,-0.269230769,0.5,0,0,0,3.03E-15,-0.181818182,-0.115384615,-0.269230769,0.5,0,0,0,-0.4453125,0.067897727,-0.027163462,-0.288221154,0.378125,0,0,0,1.544221896,1.160542382,1.065852204,1.159830913,0.004352738,0,0,0,1.416666667,1.287878788,1.08974359,1.08974359,0,0,0,0,1.416666667,1.287878788,1.08974359,1.08974359,0,0,0,0,1.416666667,1.287878788,1.08974359,1.08974359,0,0,0,0,1.416666667,1.287878788,1.08974359,1.08974359,0,0,0,0,1.416666667,1.287878788,1.08974359,1.08974359,0,0,0,0,1.95234375,0.753409091,1.170793269,1.213701923,0,0,0,0,19.21766938,9.608834689,14.63215581,19.21766938,3.202944896,9.60899955,5.33E-15,0.04957236,0.00826206,-1.802593111,18.40949036,3.068248393,1.747719787,19.21766938,9.608834689,14.63215581,19.21766938,3.202944896,9.60899955,5.33E-15,0.04957236,0.00826206,-1.802593111,18.40949036,3.068248393,1.747719787,19.21766938,9.608834689,14.63215581,19.21766938,3.202944896,9.60899955,5.33E-15,0.04957236,0.00826206,-1.802593111,18.40949036,3.068248393,1.747719787,19.21766938,9.608834689,14.63215581,19.21766938,3.202944896,9.60899955,5.33E-15,0.04957236,0.00826206,-1.802593111,18.40949036,3.068248393,1.747719787,19.21766938,9.608834689,14.63215581,19.21766938,3.202944896,9.60899955,5.33E-15,0.04957236,0.00826206,-1.802593111,18.40949036,3.068248393,1.747719787,19.21766938,9.608834689,14.63215581,19.21766938,3.202944896,9.60899955,5.33E-15,0.04957236,0.00826206,-1.802593111,18.40949036,3.068248393,1.747719787,23.64482974,11.73445191,18.50464088,23.52754579,3.921257631,11.73446945,-0.175925926,0.008196867,0.001366145,-2.882401941,17.68608864,2.94768144,1.723667027,0,11.9,12.1000824,-0.149496681,0.050584937,5.658,7.448507797,6,18,18,18,6,0,0,0,0,0,13.118484,3.7156966,3.037256812,2.333552793,1.523442349,1.456797487,0.833415856,0.083923071,0.083923071,1.808218888,1.372874417,1.249629723,1.168656233,0.51730546,0.279938754,0.083923071,0.083923071,3.737109992,3.076703622,2.405454588,1.608684647,1.556142907,0.96251859,0.270913902,0.270913902,1.744803776,1.285229005,1.134540686,1.074178488,0.368916515,0.113462465,0.270913902,0.270913902,3.831777536,3.249623253,2.704236987,1.966616184,1.9628467,1.471477322,0.943918427,0.943918427,1.561195271,1.018928274,0.783924598,0.76031856,0.133490987,0.467808294,0.943918427,0.943918427,3.752907392,3.105767052,2.457539916,1.670775497,1.62787375,1.054525846,0.399277246,0.399277246,1.70463922,1.228596505,1.058262671,1.012854847,0.269074306,2.98E-04,0.399277246,0.399277246,3.878291977,3.332899355,2.838982085,2.141548494,2.128156859,1.686325086,1.207644823,1.207644823,1.505154632,0.933903671,0.690336856,0.631337262,0.314375752,0.686021752,1.207644823,1.207644823,3.715861511,3.205371073,2.690669079,1.745700724,1.731508339,1.183845779,0.620689655,0.620689655,1.652298882,1.179784201,0.935388799,0.828600113,0.123995515,0.171248937,0.620689655,0.620689655,0,0,0,0,0,2,2,2,0,0.288675135,0.166666667,0,0,0,0.288675135,0.166666667,0,0,0,0.5,0,0.166666667,0,0.5,0,0.166666667,0,0.804737854,0.333333333,0,0.804737854,0.333333333,0,4.568914101,2.804530453,2.58144686,1.276142375,0.666666667,0,0,0,0.761485683,0.467421742,0.322680858,0.212690396,0.166666667,0,0,0,4.568914101,2.804530453,2.58144686,1.276142375,0.666666667,0,0,0,0.761485683,0.467421742,0.322680858,0.212690396,0.166666667,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.0524,27.562,12.74882884,19.44587626,25.49765768,4.249609614,12.74883489,0.169657342,0.028276224,-1.064384707,100.3505316,16.72508859,2.765201623,30,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,4.606481481,0,2.99537037,0,0,0,2.064814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.303240741,0,1.497685185,0,0,0,0.962962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.303240741,0,1.497685185,0,0,0,1.101851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.666666667,1.611111111,0.2,2.303240741,0.2,0.962962963,4.311314815,0.37037037,0.303240741,1.212962963,0.37037037,0.303240741,1.212962963,3,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.33333,0.33333,0,3,0.5,3,0.5,0,0,-3,-0.5,0,0,5.23292,0.87215,5.23292,0,0,2.80452,0.46742,2.80452,0,0,0.10948,0.01825,0.19548,0.03258,0.166666667,6,0,0,0,0,0,0,1,0.918295834,1.446616668,2.530493057,2.488554862,2.179846698,1.946616668,16.52932501,26.03910002,45.54887502,44.79398752,39.23724057,35.03910002,0.220218789,0.346916711,0.606843782,0.59678648,0.522754413,0.466822945,3.251629167,2.723308334,1.639431945,1.681370139,1.990078303,2.223308334,0.220218789,0.346916711,0.606843782,0.59678648,0.522754413,0.466822945,6.73287657,13.07272657,15.3864371,13.66182599,12.48657219,9.705042395,23.69925001,17.35940001,17.03625834,18.9335014,15.71281161,13.78354306,4.166666667,1.25,0.979591837,3,0,3,2.12,0.8454,0.5,1.333333333,2.828427125,0,1,2.828427125,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,2.668,8,6,4,0,0,0,0,0,0,30,1.945910149,2.197224577,1.945910149,1.609437912,0,0,0,0,0,0,3.433987204,1,0.333333333,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,3,0.5,0,2,3,0.5,1.5,0.5,0.444444444,0,0,0,0,0,0,0,0.25,0.1,0.111111111,0,0,0,0,0,0,0,0.461111111,9.608834689,14.63215581,19.21766938,3.202944896,9.60899955,0.04957236,0.00826206,-1.802593111,18.40949036,3.068248393,1.747719787,0,99.97590776,3.584962501,3.36729583,4.143134726,4.96284463,5.771441123,6.597145702,7.41397029,8.240385116,9.060098709,9.885985277,71.4423014,2.564949357,1.945910149,3.80666249,3.713572067,5.262690189,5.476463552,6.803505258,7.21303166,8.383204551,8.877242436,84.09390038,4.671883355,10.97733173,1.829555289,0,0,0,28,4,3.292,28,1.226604052,2.134431626,2.923519758,3.579691779,4.274613331,0,0,0,0,0,79.88561468,70.93754203,70.4506691,25.68346861,4.343280719,0,0,0,0,0,292.6884283,324.8571177,356.1187606,277.5518972,132.8709883,0,0,0,0,0,8.938619184,15.17638133,20.53509644,24.84347977,28.71883578,0,0,0,0,0,2.190327287,2.715999526,3.139669099,2.921250971,1.90054825,0,0,0,0,0,174.8645277,330.863259,472.043119,598.7472229,790.4514604,0,0,0,0,0,2.365714976,3.355669451,4.557550782,4.975760114,4.274613331,0,0,0,0,0,0.453088529,0.573674792,0.669987857,0.640075951,0.437720405,0,0,0,0,0,271.1278236,82.79168535,6.836209308,71.57713072,-21.85681723,-4.003411424,199.5506929,104.6485026,10.83962073,0.79114066,0.241582984,0.019947798,0.20885934,-0.06377736,-0.011681802,92.91684839,28.37312074,2.342802798,24.52983731,-7.490439549,-1.371988929,0.098615235,0.204074639,1.500920833,5.718324112,342.7049543,0,1,0,397.4356378,19.93578787,7.352283911,516.1183884,22.71823911,8.021392683,562.7964415,23.72333116,8.256267983,1.3355028,1.125394968,234.8195163,186.4779709,84.78546997,1.259234617,2.769572621,2.199409533,3.401612534,3.242012762,5.394222,0.663849712,4.338827912,4.879453275,3.618088502,11.81630614,8.35587959,6.232079368,7.026075721,7.123200782,2.028627387,0.36684258,1.16E-16,7.89E-54,1.04E-112,2.63E-193,1.29E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.364127799,4.878185191,0.134071992,5.0715052,0.59659274,1.49367262,0.222031328,0.406037993,0.014287789,0.002583702,8.14E-19,5.55E-56,7.31E-115,1.86E-195,9.09E-298,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.175448829,4.878270225,0.544534646,6.051287855,1.23220194,2.25832221,0.954527435,1.437098169,0.148889773,0.02692417,8.48E-18,5.79E-55,7.62E-114,1.93E-194,9.47E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.095499619,4.879314156,3.298422024,11.26295765,7.545410425,5.870338397,6.377340551,6.591680357,1.80747048,0.326850134,1.03E-16,7.03E-54,9.25E-113,2.35E-193,1.15E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.732395282,4.878380206,0.915588265,6.84174803,1.950075856,2.843374512,1.65224826,2.245858309,0.323408483,0.058482895,1.84E-17,1.26E-54,1.65E-113,4.20E-194,2.06E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.239763057,4.880038184,4.922453231,14.02456175,11.73756174,7.652806895,9.691691687,9.227773892,2.95856239,0.535005426,1.69E-16,1.15E-53,1.51E-112,3.84E-193,1.88E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.781125589,4.245984704,1.639012503,8.689476831,3.773478232,3.92598444,3.214124732,3.97380405,0.78154016,0.141328176,4.45E-17,3.04E-54,4.00E-113,1.02E-193,4.97E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.597611732,1.363432701,0.639834843,0.564590283,0.296341768,0.618213295,0.571572557,0.427021987,4.600879276,6.076083021,12.94304538,0.346885425,1.61680784,2.015238578,0.792399481,0.216612049,0.666359761,0.262015195,0.372192608,0.194847841,0.048796504,3.024250108,2.205042237,5.575194495,0.499539641,0.615836952,2.246507464,1.019098201,0.384830373,0.615407979,0.279171636,0.462457994,0.320933089,0.154303297,3.650436038,3.546115961,8.077587164,0.423111968,0.93769438,2.583190735,1.349287211,0.629368434,0.566259913,0.295776556,0.611371339,0.559876162,0.413158616,4.56184638,5.960443707,12.7159325,0.34938987,1.584406117,2.349606709,1.120193393,0.459752778,0.59793233,0.285068919,0.505853458,0.387139694,0.220343173,3.92955288,4.227264148,9.366892735,0.396898495,1.113336325,2.642761016,1.407720402,0.672599433,0.559541769,0.298051303,0.639880429,0.608966433,0.471895744,4.723080852,6.444620107,13.66995151,0.339312654,1.720742606,2.588082257,1.356011741,0.630628785,0.56573532,0.29641397,0.613673275,0.565290813,0.414803251,4.574722783,5.996729134,12.78462467,0.34860298,1.593767339 +UMLRON0264,L,iso-propylcyclopropane,CC(C)C1CC1,137995,,UML,[1],C6H12,PubChem,,100.02,0,1.3688,1.87361344,26.9146,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,1010.869782,1213.722895,681.035378,178.815168,18.289152,0,0,0,2914.106344,3917.940807,5111.241618,4674.02425,2402.602963,559.5073998,0,0,0,125.864664,130.65468,233.850364,276.437576,307.120896,120.932352,0,0,0,22.06875486,30.09593172,41.78513801,43.43428244,28.03475758,8.003032287,0,0,0,2979.777961,2598.236709,5186.697776,6078.098499,7939.753089,3328.517736,0,0,0,29.59027778,35.54166667,52.25,66.25,57,18,0,0,0,48.76541633,56.15943233,36.77948167,17.46244559,3.9736704,1.016064,0,0,0,161.8947969,217.6633782,154.8861097,119.8467756,53.39117695,31.08374443,0,0,0,6.992481333,7.258593333,7.086374667,7.088142974,6.8249088,6.718464,0,0,0,1.226041937,1.671996207,1.266216303,1.11369955,0.622994613,0.444612905,0,0,0,165.54322,144.3464838,157.1726599,155.8486795,176.4389575,184.917652,0,0,0,1.643904321,1.974537037,1.583333333,1.698717949,1.266666667,1,0,0,0,0.022750609,-0.005780765,0.008606645,-0.027773834,0.003731237,0.009841413,0,0,0,484.264036,4.62E-13,80.71067267,-686.0407177,121.066009,242.132018,0,0,0,900.5096538,2.98E-13,150.0849423,-1275.722009,225.1274134,450.2548269,0,0,0,0.094864,1.35E-15,0.015810667,-0.134390667,0.023716,0.047432,0,0,0,4.025697139,3.05E-15,0.670949523,-5.703070947,1.006424285,2.01284857,0,0,0,21.86765075,6.53E-14,3.644608459,-30.9791719,5.466912688,10.93382538,0,0,0,2.497299383,-1.570601852,1.523083848,-1.721000514,-0.406442901,0.926311728,0,0,0,0.001263923,-3.21E-04,2.61E-04,-7.12E-04,8.29E-05,5.47E-04,0,0,0,26.90355756,2.57E-14,2.44577796,-17.59078763,2.690355756,13.45177878,0,0,0,50.0283141,1.66E-14,4.548028554,-32.71082076,5.00283141,25.01415705,0,0,0,0.005270222,7.53E-17,4.79E-04,-0.003445915,5.27E-04,0.002635111,0,0,0,0.223649841,1.70E-16,0.020331804,-0.146232588,0.022364984,0.111824921,0,0,0,1.214869486,3.63E-15,0.110442681,-0.794337741,0.121486949,0.607434743,0,0,0,0.138738855,-0.087255658,0.046154056,-0.044128218,-0.009032064,0.051461763,0,0,0,-0.254092774,0.206347593,-0.563443916,0.065602406,0.43257799,0,0,0,9.54E-16,0.090909091,-0.653846154,0.1,0.5,0,0,0,3.31E-16,0.090909091,-0.653846154,0.1,0.5,0,0,0,1.43E-14,0.090909091,-0.653846154,0.1,0.5,0,0,0,7.58E-16,0.090909091,-0.653846154,0.1,0.5,0,0,0,2.99E-15,0.090909091,-0.653846154,0.1,0.5,0,0,0,-0.62892013,0.332668567,-0.318066763,-0.06510119,0.370925382,0,0,0,1.671018496,0.747733897,1.700192337,0.709745156,2.31E-05,0,0,0,1.416666667,1.03030303,1.743589744,0.566666667,0,0,0,0,1.416666667,1.03030303,1.743589744,0.566666667,0,0,0,0,1.416666667,1.03030303,1.743589744,0.566666667,0,0,0,0,1.416666667,1.03030303,1.743589744,0.566666667,0,0,0,0,1.416666667,1.03030303,1.743589744,0.566666667,0,0,0,0,2.132550595,0.471300367,1.492745012,0.90764715,0,0,0,0,17.98180061,8.990900306,12.8721956,17.98180061,2.996966769,8.991194846,-5.33E-15,0.031682058,0.005280343,-2.07120285,25.7155642,4.285927367,1.948257852,17.98180061,8.990900306,12.8721956,17.98180061,2.996966769,8.991194846,-5.33E-15,0.031682058,0.005280343,-2.07120285,25.7155642,4.285927367,1.948257852,17.98180061,8.990900306,12.8721956,17.98180061,2.996966769,8.991194846,-5.33E-15,0.031682058,0.005280343,-2.07120285,25.7155642,4.285927367,1.948257852,17.98180061,8.990900306,12.8721956,17.98180061,2.996966769,8.991194846,-5.33E-15,0.031682058,0.005280343,-2.07120285,25.7155642,4.285927367,1.948257852,17.98180061,8.990900306,12.8721956,17.98180061,2.996966769,8.991194846,-5.33E-15,0.031682058,0.005280343,-2.07120285,25.7155642,4.285927367,1.948257852,17.98180061,8.990900306,12.8721956,17.98180061,2.996966769,8.991194846,-5.33E-15,0.031682058,0.005280343,-2.07120285,25.7155642,4.285927367,1.948257852,23.64908015,11.70150767,17.27490589,23.48503694,3.914172823,11.70152391,-0.246064815,0.034753161,0.005792193,-2.015690848,20.24436946,3.374061576,1.804726022,0,11.89,12.11007471,-0.156650529,0.065136956,5.562241965,7.889764184,6,18,18,18,6,0,0,0,0,0,13.118484,3.787871835,2.711421023,2.333552793,2.21790976,1.138484544,0.419596015,0.083923071,0.083923071,1.725856227,1.570693476,1.249629723,1.087616311,0.55542488,0.083923071,0.083923071,0.083923071,3.805510431,2.763730034,2.405454588,2.287719262,1.246996656,0.52813238,0.270913902,0.270913902,1.660140259,1.490236167,1.134540686,0.974463757,0.423592973,0.270913902,0.270913902,0.270913902,3.884839416,2.989486311,2.704236987,2.580526588,1.687411127,0.961732243,0.943918427,0.943918427,1.472740212,1.250428726,0.76031856,0.609071846,0.003918807,0.943918427,0.943918427,0.943918427,3.818593832,2.802102969,2.457539916,2.338469307,1.32513824,0.606126464,0.399277246,0.399277246,1.6187271,1.438638434,1.058262671,0.899650014,0.336306281,0.399277246,0.399277246,0.399277246,3.924647126,3.095763922,2.838982085,2.7136364,1.878873338,1.207644823,1.207644823,1.207644823,1.416794487,1.175390724,0.631337262,0.48427386,0.150930821,1.143186756,1.207644823,1.207644823,3.756251834,2.945232688,2.649980131,2.449940335,1.39728139,0.642938213,0.595041322,0.595041322,1.576807405,1.380708006,0.864856164,0.785437857,0.258608548,0.595041322,0.595041322,0.595041322,0,0,0,0,0,3,1,1,1,0.204124145,0.612372436,0.40824829,0,0,0.204124145,0.612372436,0.40824829,0,0,1.254600961,0.204124145,0.204124145,0,1.254600961,0.204124145,0.204124145,0,1.513420006,0.40824829,0,1.513420006,0.40824829,0,4.78445705,2.627827085,3.093752911,1.802095141,0.40824829,0,0,0,0.797409508,0.437971181,0.309375291,0.225261893,0.204124145,0,0,0,4.78445705,2.627827085,3.093752911,1.802095141,0.40824829,0,0,0,0.797409508,0.437971181,0.309375291,0.225261893,0.204124145,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.0524,27.562,12.59174823,18.78980887,25.18349647,4.197249411,12.59175537,0.086070627,0.014345104,-1.471552248,20.78794116,3.46465686,1.82062384,27,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,6.939814815,0,1.4375,0,0,0,0.997685185,0,0,0,0,0,0.708333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.305555556,0,1.4375,0,0,0,0.997685185,0,0,0,0,0,0.708333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.31712963,0,1.4375,0,0,0,0.997685185,0,0,0,0,0,0.708333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.08333333,1.680555556,0.2,2.31712963,0,0.708333333,4.28843287,0.541666667,0.31712963,1.87962963,0.541666667,0.31712963,1.87962963,3,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.5,0.16667,0.16667,3,0.5,3,0.5,0,0,-3,-0.5,0,0,5.68249,0.94708,5.68249,0,0,2.62782,0.43797,2.62782,0,0,0.28618,0.0477,0.37218,0.06203,0.166666667,6,0,0,0,0,0,0,1,0.918295834,1.515789584,2.362740278,2.821888196,2.821888196,2.126900695,16.52932501,27.28421252,42.52932501,50.79398752,50.79398752,38.28421252,0.220218789,0.363505239,0.566614574,0.676723969,0.676723969,0.510057302,3.251629167,2.654135417,1.807184723,1.348036806,1.348036806,2.043024306,0.220218789,0.363505239,0.566614574,0.676723969,0.676723969,0.510057302,6.73287657,13.90280157,16.43872443,16.90146519,16.90146519,8.56161519,23.69925001,16.60451251,15.22255695,15.1849632,15.1849632,11.0150382,4.166666667,0.8,0.592592593,0,0,0,2.12,0.8454,1.144714243,1.5,1.889881575,2.381101578,0,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.14,0.131,0.159,0.212,2.484,10,8,2,0,0,0,0,0,0,32,1.945910149,2.397895273,2.197224577,1.098612289,0,0,0,0,0,0,3.496507561,1,0.333333333,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,0,2,3,0.5,3,1.944444444,0,0,0,0,0,0,0,0,0.5,0.277777778,0,0,0,0,0,0,0,0,0.777777778,8.990900306,12.8721956,17.98180061,2.996966769,8.991194846,0.031682058,0.005280343,-2.07120285,25.7155642,4.285927367,1.948257852,0,99.97590776,3.584962501,3.496507561,4.317488114,5.241747015,6.107022888,7.018401799,7.899153483,8.80282316,9.690108671,10.58963529,75.16288799,2.564949357,1.945910149,3.970291914,4.110873864,5.579729826,6.075346031,7.275864601,7.9490915,9.013473544,9.497247144,84.09390038,4.671883355,10.9411229,1.823520484,0,0,0,26,2,3.329,32,1.227270719,2.132126498,2.998583073,3.522208133,4.010349243,0,0,0,0,0,79.58531966,90.33643719,54.81600837,14.45605523,4.074771493,0,0,0,0,0,292.044432,363.4859746,367.1093659,191.5240449,124.6566709,0,0,0,0,0,8.942377543,15.18121685,21.27487459,24.05530336,26.94338701,0,0,0,0,0,2.187160487,2.900259519,3.388982995,2.222058258,1.783053026,0,0,0,0,0,175.0280419,329.9690229,465.8082944,620.1361416,741.5843657,0,0,0,0,0,2.456664821,3.544177057,5.159572098,4.502935101,4.010349243,0,0,0,0,0,0.452496029,0.60809118,0.726182104,0.495622144,0.410659762,0,0,0,0,0,276.5698475,81.81386352,6.752373612,54.40616702,-16.09422995,-3.028105368,222.1636804,97.90809347,9.78047898,0.835619004,0.247189705,0.020401399,0.164380996,-0.048626575,-0.009149018,91.53798584,27.07842648,2.234873706,18.00713633,-5.326804086,-1.002230246,0.10258411,0.209288417,1.738337901,4.528304884,330.9760145,0,1,0,400.9318477,20.02328264,7.373780154,518.6392712,22.773653,8.034431137,587.850167,24.2456216,8.37700707,1.081726439,1.033426501,190.9304406,162.5545612,97.78454798,1.174562185,1.952562491,1.662374727,3.289236329,3.225180717,5.345668371,0.657478709,3.94201942,4.98118907,2.9560867,12.20604618,5.499414529,15.80064042,7.557689585,2.644894264,1.577249191,0.092381811,2.54E-19,1.35E-58,1.39E-119,2.74E-202,1.04E-306,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.330826411,4.980432059,0.169776767,6.842738047,0.248297288,0.641589261,0.131298028,0.132620635,0.011108697,6.51E-04,1.79E-21,9.52E-61,9.76E-122,1.93E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.067947892,4.980483011,0.599658884,7.751806572,0.889084772,2.521817974,0.733380092,0.48698887,0.115761171,0.006780302,1.87E-20,9.92E-60,1.02E-120,2.01E-203,7.66E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.720944772,4.981106087,2.736385623,11.81201485,5.025443957,14.44312109,6.779778064,2.435043718,1.405300634,0.082310531,2.27E-19,1.20E-58,1.23E-119,2.44E-202,9.31E-307,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.57395868,4.980548741,0.935990822,8.4309909,1.456961124,4.173014639,1.418017515,0.777295781,0.251448728,0.014727723,4.06E-20,2.16E-59,2.21E-120,4.37E-203,1.66E-307,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.760559336,4.98153792,3.825318854,13.73955681,7.427467584,21.31458062,10.8049982,3.485518034,2.300269707,0.13473019,3.71E-19,1.97E-58,2.02E-119,4.00E-202,1.52E-306,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.509865708,4.019632196,1.260275101,9.776396917,2.6637504,7.632620139,2.988233032,1.461485908,0.558463214,0.032710014,9.01E-20,4.79E-59,4.91E-120,9.70E-203,3.70E-307,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.239816301,1.293368563,0.844799607,0.51160901,0.295425571,0.476761937,0.489811589,0.456432465,4.377984471,5.881741176,12.70703238,0.267413515,1.423005991,1.520219693,0.755798687,0.412993585,0.565345083,0.281069291,0.222536223,0.172730134,0.111015219,2.689011964,2.088961037,5.25249439,0.348017625,0.506281576,1.804342372,0.970421388,0.585053262,0.537035904,0.288831618,0.310929883,0.280978624,0.221605317,3.359817022,3.374357018,7.758586171,0.305553856,0.813513824,2.221850084,1.280164151,0.834156036,0.512399178,0.295229216,0.469180542,0.480207561,0.445238033,4.336170271,5.765559138,12.4743468,0.268598767,1.394626137,1.931759896,1.065587459,0.661475092,0.527973118,0.291237816,0.355606743,0.336840084,0.282329011,3.658822446,4.041129734,9.061571614,0.291959677,0.974775838,2.296103382,1.33467892,0.878111267,0.509238763,0.296010296,0.500930477,0.520440053,0.492326998,4.508893569,6.25279163,13.45271055,0.263858144,1.513697528,2.232505276,1.283295146,0.834919865,0.513134637,0.294961538,0.473662019,0.482223058,0.445339229,4.350720287,5.800374798,12.54310976,0.269701956,1.401224305 +UMLRON0265,L,"1,1,2-trimethylcyclopropane",CC1CC1(C)C,138125,,UML,[1],C6H12,PubChem,,101.5,0,1.659,2.752281,26.7866,17.22793,0,0,16,6,10,0,6,0,0,0,0,0,0,0,0,0,875.745366,842.391485,897.932285,683.062635,408.754418,97.872768,6.096384,0,0,2851.938855,3264.950672,3941.483349,3813.952988,2479.852856,948.9766754,186.5024666,0,0,112.427736,108.8789,184.378676,218.7219,226.54676,63.65952,40.310784,0,0,21.17952905,25.0799431,32.64641067,34.19448944,24.71225129,9.352967385,2.667677429,0,0,2609.942657,2165.197258,4072.111013,4922.175239,5731.67509,1409.898034,1109.505912,0,0,44.27777778,41.41666667,50,64.33333333,59.33333333,29,6,0,0,54.73408538,56.15943233,34.53585712,22.03427855,12.38649752,10.874752,1.016064,0,0,178.2461784,217.6633782,151.5955134,123.0307416,75.14705625,105.4418528,31.08374443,0,0,7.0267335,7.258593333,7.091487538,7.055545161,6.865053333,7.07328,6.718464,0,0,1.323720566,1.671996207,1.25563118,1.103048046,0.7488561,1.039218598,0.444612905,0,0,163.121416,144.3464838,156.6196543,158.7798464,173.687124,156.6553371,184.917652,0,0,2.767361111,2.761111111,1.923076923,2.075268817,1.797979798,3.222222222,1,0,0,0.057235647,-0.008054881,-0.023135133,-0.004415771,0.017955963,-0.028209343,0.017241343,0,0,453.9975338,-47.29140977,-41.61644059,-289.4234278,259.1569255,-209.9738594,102.1494451,0,0,844.2278004,-87.94039587,-77.38754837,-538.1952228,481.9133694,-390.4553577,189.9512551,0,0,0.088935,-0.009264062,-0.008152375,-0.056696062,0.050767062,-0.041132437,0.020010375,0,0,3.774091068,-0.393134486,-0.345958348,-2.405983056,2.154376985,-1.745517119,0.84917049,0,0,20.50092258,-2.135512769,-1.879251237,-13.06933815,11.70260997,-9.481676694,4.612707581,0,0,10.25,-0.085069444,0.295138889,-2.932291667,3.612847222,-7.276041667,1.260416667,0,0,0.003577228,-5.37E-04,-8.90E-04,-1.42E-04,5.44E-04,-0.003134371,0.002873557,0,0,28.37484586,-3.152760651,-1.600632331,-9.336239605,7.853240167,-23.33042882,17.02490752,0,0,52.76423752,-5.862693058,-2.976444168,-17.36113622,14.60343544,-43.38392863,31.65854251,0,0,0.005558437,-6.18E-04,-3.14E-04,-0.001828905,0.001538396,-0.004570271,0.003335062,0,0,0.235880692,-0.026208966,-0.01330609,-0.077612357,0.065284151,-0.193946347,0.141528415,0,0,1.281307661,-0.142367518,-0.072278894,-0.421591553,0.354624545,-1.053519633,0.768784597,0,0,0.640625,-0.005671296,0.011351496,-0.094590054,0.109480219,-0.808449074,0.210069444,0,0,-0.150114029,-0.248743674,-0.039819725,0.152106632,-0.87620122,0.803291596,0,0,-0.111111111,-0.056410256,-0.329032258,0.276767677,-0.822222222,0.6,0,0,-0.111111111,-0.056410256,-0.329032258,0.276767677,-0.822222222,0.6,0,0,-0.111111111,-0.056410256,-0.329032258,0.276767677,-0.822222222,0.6,0,0,-0.111111111,-0.056410256,-0.329032258,0.276767677,-0.822222222,0.6,0,0,-0.111111111,-0.056410256,-0.329032258,0.276767677,-0.822222222,0.6,0,0,-0.008852755,0.017719408,-0.147652767,0.170895951,-1.261969286,0.327913279,0,0,1.101377145,0.897371575,0.760036449,0.683178054,2.908512493,1.310843955,0,0,1.333333333,1.076923077,1.290322581,0.484848485,1.777777778,0,0,0,1.333333333,1.076923077,1.290322581,0.484848485,1.777777778,0,0,0,1.333333333,1.076923077,1.290322581,0.484848485,1.777777778,0,0,0,1.333333333,1.076923077,1.290322581,0.484848485,1.777777778,0,0,0,1.333333333,1.076923077,1.290322581,0.484848485,1.777777778,0,0,0,0.964769648,0.506566604,0.93495935,0.678738606,4.552845528,0,0,0,19.64849059,9.824245295,15.53145004,19.64849059,3.274748432,9.824393749,3.55E-15,0.046825054,0.007804176,-1.83680213,17.00872749,2.834787916,1.700235957,19.64849059,9.824245295,15.53145004,19.64849059,3.274748432,9.824393749,3.55E-15,0.046825054,0.007804176,-1.83680213,17.00872749,2.834787916,1.700235957,19.64849059,9.824245295,15.53145004,19.64849059,3.274748432,9.824393749,3.55E-15,0.046825054,0.007804176,-1.83680213,17.00872749,2.834787916,1.700235957,19.64849059,9.824245295,15.53145004,19.64849059,3.274748432,9.824393749,3.55E-15,0.046825054,0.007804176,-1.83680213,17.00872749,2.834787916,1.700235957,19.64849059,9.824245295,15.53145004,19.64849059,3.274748432,9.824393749,3.55E-15,0.046825054,0.007804176,-1.83680213,17.00872749,2.834787916,1.700235957,19.64849059,9.824245295,15.53145004,19.64849059,3.274748432,9.824393749,3.55E-15,0.046825054,0.007804176,-1.83680213,17.00872749,2.834787916,1.700235957,36.49963306,17.73302558,28.78100174,36.22802812,6.038004687,17.73302563,-0.814814815,0.12303827,0.020506378,-1.257155902,14.07418076,2.345696794,1.58660518,0,11.69,12.31002606,-0.42285067,0.197336575,4.323730425,7.198629644,5,15,14,14,4,0,0,1,0,1,10.93207,3.497540078,3.01814463,2.333552793,2.034921144,1.023904231,0.309000579,0.083923071,0.083923071,1.861568126,1.417733911,1.249629723,0.880683858,0.387832486,0.083923071,0.083923071,0.083923071,3.519327466,3.04342438,2.405454588,2.099055063,1.141013959,0.44366576,0.270913902,0.270913902,1.80376187,1.355185052,1.134540686,0.772792774,0.231091325,0.270913902,0.270913902,0.270913902,3.620445137,3.156865262,2.704236987,2.371499709,1.609905187,0.956385785,0.943918427,0.943918427,1.641606742,1.180027673,0.76031856,0.423417928,0.305624972,0.943918427,0.943918427,0.943918427,3.535672755,3.062160821,2.457539916,2.145914642,1.224938352,0.538737657,0.399277246,0.399277246,1.767574606,1.316183035,1.058262671,0.701341436,0.125216168,0.399277246,0.399277246,0.399277246,3.67259129,3.213720564,2.838982085,2.496512312,1.81098658,1.207644823,1.207644823,1.207644823,1.59403562,1.12773369,0.631337262,0.304310695,0.501590355,1.161258196,1.207644823,1.207644823,3.650524763,3.137105029,2.421603847,2.14327559,1.162321662,0.618458619,0.45,0.45,1.91089097,1.221084426,1.071603847,0.530673805,0.149036462,0.45,0.45,0.45,1,1,0,0,0,2,1,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.288675135,0,0.204124145,0.11785113,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.36180732,2.205177354,1.802095141,0.526099421,0.23570226,0,0,0,0.726967887,0.441035471,0.360419028,0.175366474,0.11785113,0,0,0,8.709139019,15.43918427,14.62745098,14.8,9.992772455,121.8839701,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,1.74529,27.643,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,1,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,2,0,1,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.573194444,0,0,7.546574074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.573194444,0,0,0,0,1.169861111,0.380555556,0,0,0,0,0,0,0,0,0,0,4.221944444,0,0.902777778,4.979444444,0,0,0.662037037,0,2.56712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.573194444,0,0,2.56712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.573194444,0,0,0,0,0.25125,0.380555556,0,0,0,0,0,0,0,0,0,0,2.110972222,0,0.902777778,4.979444444,0,0,0.662037037,0,2.56712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.573194444,0,0,4.979444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.573194444,0,0,0,0,0.380555556,0.380555556,0,0,0,0,0,0,0,0,0,0,2.110972222,0,0.902777778,4.979444444,0,0,0.662037037,0,2.56712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,2.222222222,0.573194444,4.979444444,0.25125,0.662037037,3.4737475,0.671296296,0.979444444,2.537037037,0.671296296,0.979444444,2.537037037,3,0.5,0,0,0.45,0.7,0.42,0.42,0.7,0.03,0.03,0,0,0.71429,0,0,0.5,0.16667,0,4.5,0.75,2.5,0.41667,2,0.33333,-0.5,-0.08333,0,0,4.09911,0.68318,5.69868,1.59958,0.2666,2.0342,0.33903,2.77005,0.73585,0.12264,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,1,0.954434003,2.091917187,2.780639062,2.780639062,2.530639062,1.655639062,15.27094405,33.47067499,44.490225,44.490225,40.490225,26.490225,0.238608501,0.522979297,0.695159766,0.695159766,0.632659766,0.413909766,3.045565997,1.908082813,1.219360938,1.219360938,1.469360938,2.344360938,0.233502796,0.511788674,0.680284854,0.680284854,0.619122218,0.405052994,6.794779896,17.22252709,17.91663823,17.91663823,14.91663823,8.538703846,23.34095565,14.95225468,14.93383437,14.93383437,13.43383437,9.683834373,6,3.2,5.333333333,6,2,5,2.12,0.868,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.085,0.124,0.116,0.197,0.169,2.052,5,3,2,0,0,0,0,0,0,21,2.079441542,2.079441542,1.791759469,1.945910149,0,0,0,0,0,0,3.465735903,1.476190476,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,3,0.6,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,107.0594491,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,82.07825032,5.129890645,10.67917749,1.779862916,0,0,0,32,3,2.558,20,1.223866667,2.140575665,2.961825941,3.554686153,4.741193807,5.532706822,0,0,0,0,78.70217119,84.43967998,71.46778123,51.09951231,51.89816565,5.621584225,0,0,0,0,289.6867102,353.9361094,382.6826298,289.6969322,502.4760662,171.9772449,0,0,0,0,8.915454676,15.24418693,20.94100632,24.46387148,33.54798692,37.17129161,0,0,0,0,2.172696703,2.865619215,3.380360275,2.806975336,4.947574327,2.459912852,0,0,0,0,174.6745342,330.6658957,467.1015941,612.8921019,741.7618932,1023.095155,0,0,0,0,3.422677778,4.350993529,6.358898161,6.760310194,15.143647,5.532706822,0,0,0,0,0.4496245,0.602174762,0.720496131,0.610540987,1.069602956,0.566549179,0,0,0,0,317.4992692,122.3116179,11.14947091,154.7588138,-59.61840777,-11.6310209,162.7404554,181.9300257,22.78049181,0.672300339,0.25899317,0.023608851,0.327699661,-0.126241159,-0.024628527,149.9415963,57.76265019,5.26542776,73.08610076,-28.15527497,-5.492843635,0.320116043,0.31056577,9.616843432,12.84344017,472.2580831,0,1,0,350.9132128,18.73267767,7.053422632,448.1966975,21.17065652,7.652844415,520.6605181,22.81798672,8.0448549,1.629441974,1.615509492,280.9804857,236.688441,67.00383368,1.187132267,4.193498644,3.532461175,3.549479428,3.772,6.524719861,0.72977727,2.966134429,3.759779054,1.9328391,8.640649339,2.500600486,3.871684683,2.266497337,4.807023719,1.120459874,2.449234454,1.014218265,1.881471677,3.09E-10,9.82E-42,6.01E-95,7.09E-170,1.61E-266,0,0,0,0,0,0,0,0,0,0,0,0,0,0.259160954,3.759607105,0.127996529,3.974578645,0.333238063,1.228998946,0.062478333,0.265179548,0.628050104,0.169915975,0.080280517,0.013251359,2.18E-12,6.92E-44,4.23E-97,4.99E-172,1.14E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0.811711951,3.759618956,0.435732487,4.651193541,0.520717091,1.611957745,0.27075464,0.947122585,0.728561436,0.571987961,0.262341737,0.138089376,2.27E-11,7.21E-43,4.41E-96,5.20E-171,1.18E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,2.800415452,3.759760303,1.800884581,8.257416456,2.27773179,3.654547559,2.046094919,4.442251381,1.090314901,2.28734327,0.954009578,1.676357391,2.76E-10,8.75E-42,5.35E-95,6.32E-170,1.44E-266,0,0,0,0,0,0,0,0,0,0,0,0,0,1.191020888,3.759633993,0.664998017,5.197567976,0.725108327,1.921306047,0.485469091,1.488043485,0.797559314,0.86675886,0.389867266,0.299948577,4.93E-11,1.57E-42,9.58E-96,1.13E-170,2.57E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,3.579717208,3.759857818,2.445777316,10.17038227,3.428180474,4.738495798,3.179597542,6.25607997,1.232073141,3.074024726,1.240588457,2.743949617,4.51E-10,1.43E-41,8.76E-95,1.03E-169,2.35E-266,0,0,0,0,0,0,0,0,0,0,0,0,0,1.305420662,2.103043333,0.653003787,4.121818278,0.918635278,2.422718168,0.614769461,1.560243317,1.379753709,1.702324001,0.398021034,0.380998015,6.27E-11,1.99E-42,1.22E-95,1.44E-170,3.27E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,3.147499837,1.247709653,0.496234566,0.643470476,0.255080021,0.344475535,0.44263871,0.346079189,4.891444055,6.1082208,12.94846033,0.465205715,1.133193435,2.892231814,0.681771935,0.138867257,0.778974494,0.183623922,0.298985902,0.135525445,0.027352041,3.712871007,2.46815458,6.454849945,0.668461741,0.461863388,2.984029884,0.897892567,0.27291534,0.718206109,0.216107731,0.314244406,0.233130332,0.105310239,4.154837791,3.738774438,8.62484474,0.577309164,0.652684977,3.140093019,1.232842634,0.486546866,0.646178478,0.253698337,0.342995935,0.432495981,0.332791267,4.859482519,5.998878685,12.74190116,0.469267717,1.108283184,3.028675214,0.997932272,0.335880143,0.694254167,0.228753032,0.322050842,0.286706142,0.159251972,4.362487629,4.374870235,9.752526286,0.54138125,0.768008956,3.171130416,1.294518361,0.526869364,0.635176544,0.259291669,0.349278694,0.475267791,0.389780212,4.99251814,6.457900077,13.61326255,0.452764815,1.214326697,3.197545852,1.225545915,0.483661433,0.651662254,0.249767181,0.355679933,0.427703564,0.327963049,4.906753201,6.05801816,12.86011441,0.477493382,1.111346546 +UMLRON0266,L,4-methyl-1-pentyne,CC(C)CC#C,138948,,UML,[1],C6H10,PubChem,,91.3,0,-1.1836,1.40090896,32.1631,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,1864.442842,2079.488723,1145.330596,551.162642,141.39216,12.192768,0,4371.159516,5876.91121,8447.051418,10013.35716,7830.409782,4279.977653,1769.041052,373.0049332,0,188.796996,195.98202,384.589288,568.40654,578.484112,438.810824,205.5456,80.621568,0,33.10313229,45.14389758,70.19563559,87.22019674,75.71300131,45.18456539,20.0277012,5.335354858,0,4469.666941,3897.355064,8323.286703,13130.75959,13716.68734,11146.17126,5229.578518,2219.011824,0,39.52777778,48.58333333,83.41666667,114.0833333,112.8333333,79,37,12,0,48.76541633,56.15943233,34.5267193,25.67270028,13.79916381,8.611916281,4.713072,1.016064,0,161.8947969,217.6633782,156.4268781,123.6216934,94.34228653,66.87465083,58.96803508,31.08374443,0,6.992481333,7.258593333,7.122023852,7.017364691,6.969688096,6.856419125,6.85152,6.718464,0,1.226041937,1.671996207,1.299919178,1.076792552,0.912204835,0.706008834,0.66759004,0.444612905,0,165.54322,144.3464838,154.134939,162.1081431,165.2612933,174.1589259,174.3192839,184.917652,0,1.46399177,1.799382716,1.544753086,1.408436214,1.359437751,1.234375,1.233333333,1,0,0.037046379,-0.001666059,-0.013685665,0.001564822,-0.022443639,0.011723318,-0.001278013,0.007262046,0,726.396054,7.46E-13,-242.132018,1.07E-14,-497.7158148,215.2284604,-5.01E-13,161.4213453,0,1350.764481,-5.26E-13,-450.2548269,-6.75E-13,-925.5238108,400.2265128,6.39E-14,300.1698846,0,0.142296,2.03E-15,-0.047432,7.07E-16,-0.097499111,0.042161778,-1.12E-15,0.031621333,0,6.038545709,1.65E-14,-2.01284857,5.77E-15,-4.13752206,1.789198729,-9.33E-15,1.341899046,0,32.80147613,-2.00E-13,-10.93382538,-5.77E-14,-22.4750855,9.718955891,1.11E-13,7.289216918,0,1.995884774,-0.345679012,-0.686213992,0.308641975,-0.912246609,0.544734034,-0.291723823,0.384545039,0,0.001372088,-6.17E-05,-2.53E-04,1.93E-05,-2.70E-04,1.83E-04,-4.26E-05,6.05E-04,0,26.90355756,2.76E-14,-4.483926259,1.32E-16,-5.996576082,3.362944694,-1.67E-14,13.45177878,0,50.0283141,-1.95E-14,-8.33805235,-8.33E-15,-11.15088929,6.253539262,2.13E-15,25.01415705,0,0.005270222,7.54E-17,-8.78E-04,8.73E-18,-0.001174688,6.59E-04,-3.75E-17,0.002635111,0,0.223649841,6.11E-16,-0.037274974,7.13E-17,-0.049849663,0.02795623,-3.11E-16,0.111824921,0,1.214869486,-7.40E-15,-0.202478248,-7.13E-16,-0.270784163,0.151858686,3.70E-15,0.607434743,0,0.073921658,-0.012802926,-0.012707667,0.003810395,-0.010990923,0.008511469,-0.009724127,0.03204542,0,-0.044972247,-0.184709879,0.014079849,-0.197075744,0.133502242,-0.031047893,0.441058034,0,1.03E-15,-0.166666667,4.89E-18,-0.222891566,0.125,-6.21E-16,0.5,0,-3.89E-16,-0.166666667,-1.67E-16,-0.222891566,0.125,4.26E-17,0.5,0,1.43E-14,-0.166666667,1.66E-15,-0.222891566,0.125,-7.12E-15,0.5,0,2.73E-15,-0.166666667,3.19E-16,-0.222891566,0.125,-1.39E-15,0.5,0,-6.09E-15,-0.166666667,-5.87E-16,-0.222891566,0.125,3.05E-15,0.5,0,-0.173195876,-0.171907216,0.051546392,-0.148683393,0.115141753,-0.131546392,0.433505155,0,1.490461491,1.333300154,0.97233124,1.140099192,0.648323793,0.794290248,0.00423649,0,1.444444444,1.364197531,1.016460905,1.148594378,0.609375,0.722222222,0,0,1.444444444,1.364197531,1.016460905,1.148594378,0.609375,0.722222222,0,0,1.444444444,1.364197531,1.016460905,1.148594378,0.609375,0.722222222,0,0,1.444444444,1.364197531,1.016460905,1.148594378,0.609375,0.722222222,0,0,1.444444444,1.364197531,1.016460905,1.148594378,0.609375,0.722222222,0,0,1.675257732,1.165979381,0.790721649,1.094286424,0.814175258,1.194123711,0,0,40.03575902,20.01787951,29.35871161,40.03575902,4.448417669,20.01787952,1.07E-14,0.072925189,0.008102799,-2.356489048,61.75005595,6.861117327,3.710785393,40.03575902,20.01787951,29.35871161,40.03575902,4.448417669,20.01787952,1.07E-14,0.072925189,0.008102799,-2.356489048,61.75005595,6.861117327,3.710785393,40.03575902,20.01787951,29.35871161,40.03575902,4.448417669,20.01787952,1.07E-14,0.072925189,0.008102799,-2.356489048,61.75005595,6.861117327,3.710785393,40.03575902,20.01787951,29.35871161,40.03575902,4.448417669,20.01787952,1.07E-14,0.072925189,0.008102799,-2.356489048,61.75005595,6.861117327,3.710785393,40.03575902,20.01787951,29.35871161,40.03575902,4.448417669,20.01787952,1.07E-14,0.072925189,0.008102799,-2.356489048,61.75005595,6.861117327,3.710785393,40.03575902,20.01787951,29.35871161,40.03575902,4.448417669,20.01787952,1.07E-14,0.072925189,0.008102799,-2.356489048,61.75005595,6.861117327,3.710785393,43.24183702,21.57385061,31.83014589,43.16862029,4.796513365,21.57385061,-0.094135802,0.071216789,0.007912977,-2.377824017,69.37074664,7.707860738,3.815518734,0,11.9,12.1001487,-0.151273848,0.048890527,5.574370918,8.802755905,9,27,27,27,9,0,0,0,0,0,19.677726,3.6320542,3.180052,2.945817421,2.688292988,1.846554402,1.753131121,1.454441211,1.122946561,1.911135794,1.840961226,1.543910725,1.114249919,1.067236047,0.782564957,0.614914746,0.537556093,3.656793375,3.214350671,2.984115995,2.736875171,1.925089082,1.834262961,1.554720787,1.247019953,1.854857384,1.778043787,1.457618021,1.008390927,0.959098218,0.645765743,0.466222489,0.382916975,3.765439631,3.365834016,3.152527083,2.94650103,2.256996727,2.176961494,1.962840072,1.732917972,1.690885851,1.590937281,1.192279105,0.678084935,0.620118197,0.189764285,0.038370948,0.147306397,3.675008576,3.239671371,3.012359315,2.772499986,1.982400312,1.893471859,1.626944234,1.335136272,1.819160685,1.737796762,1.40161831,0.939236481,0.888335115,0.554236562,0.366102466,0.278427117,3.818331556,3.43964669,3.233982116,3.045361043,2.40808527,2.332680125,2.141467679,1.937675008,1.640220899,1.531967921,1.106298777,0.57007717,0.508671823,0.028532376,0.22064231,0.341437958,3.687609251,3.327737477,3.054771471,2.890885982,2.121358515,2.00621237,1.771267315,1.507625443,1.783493509,1.683057155,1.240902387,0.824748214,0.751385936,0.366162443,0.181285843,0.084794985,0,0,0,0,0,1,7,1,0,0,0,0,0,0,0,0,0,0,0,0.204124145,0,0,0,0.204124145,0,0,0,0.49279928,0.594861352,0.49279928,0.49279928,0.594861352,0.49279928,6.527097737,4.431851653,3.265837526,2.552095141,1.772164652,1.230171716,0.853643198,0.24639964,0.725233082,0.492427961,0.326583753,0.232008649,0.161105877,0.111833792,0.077603927,0.06159991,6.527097737,4.431851653,3.265837526,2.552095141,1.772164652,1.230171716,0.853643198,0.24639964,0.725233082,0.492427961,0.326583753,0.232008649,0.161105877,0.111833792,0.077603927,0.06159991,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.3668,41.483,41.85640779,57.06077867,83.71281557,9.301423952,41.85640779,0.10183034,0.011314482,-2.056002465,46.58315851,5.175906501,3.457115163,70,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,1,0,7,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,2.329351852,0,10.42759259,0,0,0,1.076388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.329351852,0,1.416666667,0,0,0,1.076388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.329351852,0,1.510416667,0,0,0,1.076388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.83333333,1.537037037,0.2,2.329351852,0.2,1.076388889,6.489844907,0.256944444,0.329351852,0.70037037,0.256944444,0.329351852,0.70037037,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.11111,0.11111,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,9.6754,1.07504,9.6754,0,0,4.43185,0.49243,4.43185,0,0,-0.01785,-0.00198,0.06815,0.00757,0.259259259,9,0,0,0,0,0,0,1,0.918295834,1.247104744,2.100535766,2.72788543,3.013422687,2.71342767,24.79398752,33.67182808,56.71446567,73.65290661,81.36241255,73.26254708,0.193126721,0.262278496,0.441763504,0.573701361,0.633752678,0.57066075,3.836591668,3.507782759,2.654351736,2.027002072,1.741464815,2.041459833,0.193126721,0.262278496,0.441763504,0.573701361,0.633752678,0.57066075,6.73287657,10.67858349,13.9984336,16.60714763,16.08068405,13.80188622,35.54887502,30.33929922,27.07853553,23.3010205,23.74391714,27.98260783,7.111111111,3.92,2.380165289,2,0,2,2.45,1.2681,0,2.172975479,0.5,0,10.12736582,4.195358823,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,4.393,10,11,11,11,11,4,2,0,0,78,2.302585093,2.397895273,2.48490665,2.48490665,2.48490665,2.48490665,1.609437912,1.098612289,0,0,4.369447852,1,0.4,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,2,0.222222222,1,3,5,0.666666667,1,0.444444444,0.25,0.125,0.08,0,0,0,0,0,0.111111111,0.044444444,0.022727273,0.03125,0.04,0,0,0,0,0,0.249532828,20.01787951,29.35871161,40.03575902,4.448417669,20.01787952,0.072925189,0.008102799,-2.356489048,61.75005595,6.861117327,3.710785393,0,151.8638616,4.169925001,3.663561646,4.394449155,5.141663557,5.888877958,6.642486801,7.393263095,8.14815644,8.899867211,9.654962089,77.82728795,2.944438979,0,4.077537444,0,5.379897354,2.708050201,6.755768922,4.976733742,8.168769824,8.485908901,126.1408506,4.671883355,17.75679668,1.972977408,0,0,0,88,11,5.06,38,1.239923458,2.134638213,2.838905566,3.473155264,4.156107709,5.285872242,5.706829951,0,0,0,80.81594928,81.15742377,77.92795429,54.63561282,41.80171367,25.19097758,5.798504468,0,0,0,296.0135696,354.6884235,366.5364126,347.1956451,304.4872129,313.7964056,177.3896437,0,0,0,9.035882745,15.24792874,19.96169852,24.25255767,28.59402743,36.22627477,38.34113158,0,0,0,2.21490861,2.90006292,3.155621468,3.288552742,3.124881649,3.545579592,2.537330242,0,0,0,176.7508146,325.8182703,457.258808,570.6662946,716.2171115,920.631704,1055.293595,0,0,0,2.288780661,3.365766567,4.059316283,4.79313869,5.301451564,6.543780972,5.706829951,0,0,0,0.458161945,0.610019598,0.670928644,0.709762561,0.684793433,0.787171133,0.584379387,0,0,0,332.8925824,156.2074134,8.569506239,48.65106381,-22.82915643,-2.887817541,284.2415185,179.0365698,11.45732378,0.872488864,0.409409028,0.022460094,0.127511136,-0.05983367,-0.007568774,127.0130497,59.59994607,3.269640656,18.56250427,-8.710319583,-1.101828434,0.06366113,0.138371259,0.723873701,3.79893764,381.5436462,0,1,0,582.7375713,24.13995798,8.352651082,757.1042208,27.5155269,9.114200029,1048.505369,32.38063263,10.15913862,1.385302312,1.195214167,510.574552,421.2097521,164.0974313,1.212162229,3.111410994,2.566827212,4.042362426,4.023895588,7.051173523,0.752325171,5.541779374,8.017090882,9.545741231,16.80912109,13.89260838,17.9879418,11.62378617,11.78565732,3.886288397,6.686737357,2.998275559,1.334705545,0.943267688,1.78E-09,7.97E-40,6.88E-92,1.14E-165,3.67E-261,0,0,0,0,0,0,0,0,0,0,0,0,0.424984908,7.089395832,0.700953993,6.508565861,1.623831925,1.872022576,0.82072114,1.082454814,0.139766078,0.420835535,0.101310773,0.009669673,0.006643511,1.26E-11,5.62E-42,4.84E-94,8.05E-168,2.58E-263,0,0,0,0,0,0,0,0,0,0,0,0,1.39832493,7.151387143,2.327887597,7.92575998,2.86549847,3.945292998,2.29927891,2.22848557,0.573912529,1.111860189,0.426089518,0.098651547,0.069230512,1.31E-10,5.85E-41,5.05E-93,8.39E-167,2.69E-262,0,0,0,0,0,0,0,0,0,0,0,0,5.203377648,7.915238406,8.941130785,15.9360677,12.69483812,16.57103871,10.705391,10.76294983,3.539974142,6.09513567,2.726627642,1.189383994,0.840434528,1.59E-09,7.11E-40,6.13E-92,1.02E-165,3.27E-261,0,0,0,0,0,0,0,0,0,0,0,0,2.087605426,7.231761329,3.497719742,9.102119499,4.092771229,5.729682375,3.529998549,3.32361754,0.970102033,1.760810234,0.728185206,0.213621822,0.150377922,2.84E-10,1.27E-40,1.10E-92,1.82E-166,5.85E-262,0,0,0,0,0,0,0,0,0,0,0,0,6.823290533,8.445366605,11.85603106,20.31694083,18.83458928,23.72266733,15.31603889,15.98951187,5.301327645,9.113349203,4.111133606,1.945664436,1.375667273,2.60E-09,1.16E-39,1.00E-91,1.67E-165,5.35E-261,0,0,0,0,0,0,0,0,0,0,0,0,3.565635099,7.175247875,5.762592654,11.77247776,7.172591171,10.28228822,6.314736417,6.177698098,1.954373197,3.619147801,1.693397748,0.56570001,0.399269644,7.55E-10,3.38E-40,2.91E-92,4.84E-166,1.55E-261,0,0,0,0,0,0,0,0,0,0,0,0,3.795297849,1.500920126,0.769039081,0.62574394,0.247461915,0.502802156,0.460931521,0.49382825,6.065257056,9.769437531,20.21547874,0.43861591,1.457561927,3.04656782,1.004896698,0.296775645,0.700643871,0.231104231,0.325096623,0.206880247,0.07298423,4.348240163,4.263861937,9.520676564,0.550965807,0.6049611,3.343590735,1.202069068,0.484523738,0.664705514,0.238971214,0.390940688,0.295944549,0.195288793,5.03018354,6.221707076,13.19930151,0.497058271,0.88217403,3.776728296,1.488655945,0.757364314,0.627077199,0.247172189,0.49792397,0.453452907,0.478894672,6.022748556,9.610063157,19.89090249,0.440615799,1.430271549,3.476140491,1.289882452,0.568130829,0.651676093,0.241815761,0.422296455,0.340684113,0.268859847,5.334153772,7.191537187,15.07308314,0.47751414,1.031840415,3.853443873,1.539311321,0.805584628,0.621689676,0.248342518,0.518232325,0.48473264,0.542057292,6.198339822,10.27597047,21.25275617,0.432534513,1.545022257,3.790701768,1.490632329,0.759929477,0.627468363,0.246741813,0.501556944,0.454592167,0.482221668,6.041263574,9.663984064,19.99926153,0.441202545,1.438370779 +UMLRON0267,L,ethylcycloheptane,CCC1CCCCCC1,139398,,UML,[1],C9H18,PubChem,,28,0,0.3744,0.14017536,34.8526,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1432.661672,1509.368456,1154.298941,371.512512,39.626496,0,0,3885.475125,4800.404174,6285.345707,7098.100383,6671.388098,4207.30508,1212.266033,0,0,167.819552,166.665724,297.5336,367.113248,420.789812,414.284544,262.020096,0,0,29.42500648,37.33900896,52.14452968,60.60424716,61.14187754,45.40685364,17.33990329,0,0,3973.037281,3337.521256,6602.062723,8260.468617,9723.409095,10204.7962,7211.788429,0,0,46.05555556,51.88888889,72.58333333,93,107,94,39,0,0,48.76541633,52.3287937,34.11099219,29.02631646,19.23831568,6.1918752,1.016064,0,0,161.8947969,208.713225,149.6510883,136.5019304,111.1898016,70.12175134,31.08374443,0,0,6.992481333,7.246335826,7.084133333,7.059870154,7.013163533,6.9047424,6.718464,0,0,1.226041937,1.623435172,1.241536421,1.165466291,1.019031292,0.756780894,0.444612905,0,0,165.54322,145.1096198,157.1919696,158.8551657,162.0568183,170.0799367,184.917652,0,0,1.918981481,2.256038647,1.728174603,1.788461538,1.783333333,1.566666667,1,0,0,0.046590245,-0.008149964,-0.006769293,-0.001071152,-0.012687999,-0.02547831,0.030861596,0,0,645.6853813,-53.80711511,3.52E-13,-107.6142302,-363.198027,-322.8426907,524.6193723,0,0,1200.679538,-100.0566282,8.53E-14,-200.1132564,-675.3822403,-600.3397692,975.5521249,0,0,0.126485333,-0.010540444,1.84E-15,-0.021080889,-0.071148,-0.063242667,0.102769333,0,0,5.367596186,-0.447299682,7.52E-15,-0.894599364,-3.019272855,-2.683798093,4.361171901,0,0,29.15686767,-2.429738973,-7.31E-14,-4.859477945,-16.40073807,-14.57843384,23.68995498,0,0,6.013888889,-1.876736111,0.572916667,-0.645833333,0.4375,-4.8125,3.317708333,0,0,0.00194126,-3.54E-04,-1.61E-04,-2.06E-05,-2.11E-04,-4.25E-04,7.91E-04,0,0,26.90355756,-2.339439787,8.37E-15,-2.069504427,-6.05330045,-5.380711511,13.45177878,0,0,50.0283141,-4.350288182,2.03E-15,-3.848331854,-11.25637067,-10.00566282,25.01415705,0,0,0.005270222,-4.58E-04,4.39E-17,-4.05E-04,-0.0011858,-0.001054044,0.002635111,0,0,0.223649841,-0.019447812,1.79E-16,-0.017203834,-0.050321214,-0.044729968,0.111824921,0,0,1.214869486,-0.105640825,-1.74E-15,-0.093451499,-0.273345634,-0.242973897,0.607434743,0,0,0.250578704,-0.081597222,0.013640873,-0.012419872,0.007291667,-0.080208333,0.085069444,0,0,-0.182534134,-0.08302527,-0.010611191,-0.108932666,-0.218743732,0.407633647,0,0,-0.086956522,3.11E-16,-0.076923077,-0.225,-0.2,0.5,0,0,-0.086956522,4.06E-17,-0.076923077,-0.225,-0.2,0.5,0,0,-0.086956522,8.33E-15,-0.076923077,-0.225,-0.2,0.5,0,0,-0.086956522,8.01E-16,-0.076923077,-0.225,-0.2,0.5,0,0,-0.086956522,-1.43E-15,-0.076923077,-0.225,-0.2,0.5,0,0,-0.325635104,0.054437479,-0.049564754,0.029099307,-0.320092379,0.339491917,0,0,1.515938958,1.069443827,1.010658132,1.213486055,1.133671025,0.07264399,0,0,1.5,1.129464286,1.161057692,1.221875,1.00625,0,0,0,1.5,1.129464286,1.161057692,1.221875,1.00625,0,0,0,1.5,1.129464286,1.161057692,1.221875,1.00625,0,0,0,1.5,1.129464286,1.161057692,1.221875,1.00625,0,0,0,1.5,1.129464286,1.161057692,1.221875,1.00625,0,0,0,1.718244804,0.650060486,1.129774383,1.041108545,1.466050808,0,0,0,33.05449736,16.52724868,22.8810016,33.05449736,4.131812169,16.52724889,1.42E-14,0.121401371,0.015175171,-1.686922486,48.02880367,6.003600459,3.097440726,33.05449736,16.52724868,22.8810016,33.05449736,4.131812169,16.52724889,1.42E-14,0.121401371,0.015175171,-1.686922486,48.02880367,6.003600459,3.097440726,33.05449736,16.52724868,22.8810016,33.05449736,4.131812169,16.52724889,1.42E-14,0.121401371,0.015175171,-1.686922486,48.02880367,6.003600459,3.097440726,33.05449736,16.52724868,22.8810016,33.05449736,4.131812169,16.52724889,1.42E-14,0.121401371,0.015175171,-1.686922486,48.02880367,6.003600459,3.097440726,33.05449736,16.52724868,22.8810016,33.05449736,4.131812169,16.52724889,1.42E-14,0.121401371,0.015175171,-1.686922486,48.02880367,6.003600459,3.097440726,33.05449736,16.52724868,22.8810016,33.05449736,4.131812169,16.52724889,1.42E-14,0.121401371,0.015175171,-1.686922486,48.02880367,6.003600459,3.097440726,48.11614185,23.82369593,33.52662945,47.76457935,5.970572419,23.82369593,-0.46875,0.182020676,0.022752585,-1.362907994,82.77704099,10.34713012,3.532920592,0,11.89,12.11011416,-0.171422704,0.051137342,5.64275,9.080253904,7,23,22,22,6,1,1,0,0,1,17.491312,3.603308163,3.057108808,2.902564078,2.24498107,2.112027127,1.598026915,1.134977168,0.375921918,1.931178139,1.591531912,1.563026335,1.137897591,1.015297944,0.769718516,0.432803315,0.083923071,3.623601852,3.093005904,2.950308951,2.314517805,2.180028581,1.695309721,1.244153795,0.498303987,1.879626265,1.514243681,1.473453684,1.025337047,0.898788478,0.630337185,0.281046943,0.270913902,3.715910755,3.252071057,3.155598408,2.6049335,2.469233643,2.090117344,1.685728992,0.960746841,1.734951073,1.283910643,1.195492746,0.659633478,0.524502783,0.162386152,0.233965322,0.943918427,3.638715099,3.119543344,2.985267979,2.364989673,2.229714711,1.765276817,1.32265771,0.584340948,1.847406863,1.464703456,1.415133181,0.950740728,0.821867161,0.536857124,0.17885705,0.399277246,3.762720882,3.329713173,3.252217518,2.73642415,2.602447469,2.26277616,1.877254159,1.207644823,1.69203995,1.21166462,1.104407163,0.533901573,0.397805575,0.004703131,0.419924739,1.145151261,3.652657715,3.197749148,3.001250795,2.560074253,2.279364415,1.790158961,1.350936348,0.641631894,1.904584594,1.380849693,1.364549028,0.840905842,0.655472535,0.477226729,0.116901776,0.533333333,0,0,1,0,1,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.5,0,0.166666667,0,0.348461713,0,0.102062073,0,1.138071187,1.304737854,0.333333333,0.823749909,0.925811982,0.204124145,6.568914101,3.718744015,2.820593172,1.991563832,1.231484176,0,0,0,0.821114263,0.531249145,0.352574147,0.248945479,0.246296835,0,0,0,6.198670613,3.372938668,2.359772676,1.682521985,0.98559856,0,0,0,0.774833827,0.481848381,0.294971585,0.210315248,0.197119712,0,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,43,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,5,2,0,1,0,0,0,0,0,0,0,0,3,1,2,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.225833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.343194444,0,0,0,1.228333333,0.580555556,0,0.343194444,0,0,0,0,0,0,0,0,6.531111111,3.89712963,2.483796296,0,0,0,0.759259259,0,0,1.328703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.328703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.343194444,0,0,0,0.225625,0.290277778,0,0.343194444,0,0,0,0,0,0,0,0,2.108796296,3.89712963,1.241898148,0,0,0,0.759259259,0,0,1.328703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.89712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.343194444,0,0,0,0.290277778,0.290277778,0,0.343194444,0,0,0,0,0,0,0,0,2.211157407,3.89712963,1.241898148,0,0,0,0.759259259,0,0,1.328703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15,1.875,0.343194444,3.89712963,0.038194444,0.759259259,5.393255,0.574074074,0.89712963,2.856481481,0.574074074,0.89712963,2.856481481,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.5,0.25,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.63369,0.95421,9.08078,1.44709,0.18089,3.19431,0.39929,3.71873,0.52442,0.06555,0.19527,0.02441,0.19527,0.02441,0,7,0,0,0,0,0,0,0.75,0.918295834,2.114005463,3.15726823,3.15726823,2.966228125,2.285401042,22.03910002,50.73613111,75.77443751,75.77443751,71.18947501,54.84962501,0.200284263,0.461073665,0.688613752,0.688613752,0.646947085,0.498455776,3.666666667,2.470957038,1.427694271,1.427694271,1.618734375,2.299561459,0.200284263,0.461073665,0.688613752,0.688613752,0.646947085,0.498455776,6.73287657,17.09808847,18.1495148,18.1495148,15.85703355,9.787054803,31.59900002,18.70284314,18.39172969,18.39172969,17.24548907,12.32324584,8,3.9375,2.8125,8,2,5,2.34,1.1928,1.683693072,3.509530701,4.298279727,0,0.5,2.828427125,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.108,0.104,0.16,3.408,8,8,5,0,0,0,0,0,0,36,2.197224577,2.397895273,2.397895273,2.079441542,0,0,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,2,4,1,2,1.111111111,0.625,0,0,0,0,0,0,0,0.285714286,0.138888889,0.078125,0,0,0,0,0,0,0,0.502728175,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,0,144.287877,4,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,72.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.389132521,112.1252005,4.671883355,14.50113758,1.812642197,0,0,0,67,8,3.954,30,1.226391304,2.124250487,2.933429368,3.596504138,4.202911983,4.40969089,0,0,0,0,74.73814722,82.50602934,93.63826239,72.29033622,25.44077175,4.480528165,0,0,0,0,280.6431588,346.1648809,424.3106121,413.9095176,290.3173171,137.0697047,0,0,0,0,8.920641989,15.11083307,20.7623213,25.27544901,28.99903745,29.6263495,0,0,0,0,2.124868553,2.808577985,3.563533612,3.766216913,3.145512963,1.960605476,0,0,0,0,175.8569114,329.4558446,462.2227339,578.7501682,716.5027008,815.4296856,0,0,0,0,2.827550725,3.82693815,5.394865982,6.547039567,6.475546093,4.40969089,0,0,0,0,0.4404825,0.590494043,0.753847389,0.80713898,0.693026556,0.451552347,0,0,0,0,348.2674059,163.3425204,10.09663722,151.5196027,-71.06491558,-9.194854574,196.7478032,234.407436,19.29149179,0.69683165,0.326824262,0.02020188,0.30316835,-0.142190402,-0.018397546,174.059525,81.63646965,5.046168112,75.727529,-35.51732158,-4.595468863,0.113941547,0.212033715,2.669337,4.581035813,499.7870086,0,1,0,457.3961477,21.38682182,7.704849633,612.8133496,24.75506715,8.493944243,816.1039101,28.56753245,9.345054092,1.472132459,1.184764923,429.2495787,308.0721719,181.2013642,1.39334097,2.3689092,1.700164749,4.019656271,3.477616438,6.42424645,0.847313114,4.716243312,6.435919691,6.243685676,19.94142798,12.27692098,12.15106048,9.102555222,20.40061774,5.698993586,7.178552118,1.107421217,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.388854219,5.866306277,0.447043622,7.98815944,1.931664351,1.171329124,0.89093466,0.868293206,1.082910362,0.089187472,0.007800727,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.259827673,5.904369505,1.493812985,9.608564697,2.865882481,2.810697064,2.305207815,3.348265857,1.578579089,0.626108792,0.081281197,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.446958553,6.373381316,5.840548316,18.91974135,11.22704215,11.26598192,8.507196391,18.67173926,5.258417803,6.422558601,0.986693102,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.861387324,5.953719999,2.252901828,10.96425209,3.856808949,4.114767341,3.35382365,5.498146219,2.051436682,1.264936506,0.176550991,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.718239813,6.698885005,7.791130057,24.05345162,16.63711057,15.66984823,11.41209732,27.40719834,7.509624644,10.34324868,1.615066283,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650851139,4.539674011,3.154776132,11.56416108,5.663119909,5.612243377,4.92073718,8.092424522,2.98871044,2.184818356,0.315003766,0.320486556,2.28E-15,3.14E-51,8.31E-109,4.25E-188,4.19E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.42991038,1.868537532,0.666028599,0.575056398,0.313277708,0.535816398,0.449269895,0.43033875,5.964476511,9.937834114,20.17083215,0.362584598,1.415425042,2.481176112,1.349465352,0.267870782,0.605384579,0.329257367,0.280215114,0.235043531,0.068303899,4.098512246,4.37437812,9.369791711,0.408076869,0.583562544,2.857538441,1.555604765,0.426469479,0.590447754,0.321431665,0.371660699,0.311821282,0.174747344,4.839612685,6.327271299,13.06262629,0.385671631,0.858229325,3.406383676,1.855682924,0.656213892,0.575569826,0.313551027,0.528471787,0.443125143,0.417617469,5.918280493,9.774209227,19.84052799,0.36335474,1.389214398,3.025508009,1.647490759,0.496952885,0.585210116,0.31866657,0.416694037,0.349559644,0.238068016,5.169951654,7.306756708,14.95376827,0.377815175,1.004321696,3.503575794,1.908783996,0.696744118,0.57350077,0.312449096,0.559144743,0.468785676,0.471393442,6.109103908,10.45859925,21.22722781,0.360251155,1.49932386,3.410330438,1.862532552,0.656424962,0.575166945,0.314124152,0.529829118,0.44656755,0.417331277,5.929287952,9.813090341,19.91189214,0.362750418,1.393727945 +UMLRON0268,L,2-methyl-3-ethyl-1-pentene,CCC(CC)C(=C)C,140591,,UML,[1],C8H16,PubChem,,99.5,0,1.9744,3.89825536,39.5836,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1410.479624,1481.090024,1170.384605,399.790944,45.72288,0,0,3885.475125,4800.404174,6118.039963,6744.292173,6652.191376,4561.113291,1398.768499,0,0,167.819552,166.665724,296.735264,326.004128,381.277364,455.393664,302.33088,0,0,29.42500648,37.33900896,50.80666687,56.59870692,59.81206292,49.41239387,20.00758072,0,0,3973.037281,3337.521256,6665.652931,7214.552914,8550.312974,11250.7119,8321.294341,0,0,42.05555556,50.44444444,72.25,81.33333333,94,96,45,0,0,48.76541633,52.3287937,33.58284819,32.19760922,21.67378898,6.057438545,1.016064,0,0,161.8947969,208.713225,145.6676182,146.6150472,123.1887292,69.10777713,31.08374443,0,0,6.992481333,7.246335826,7.065125333,7.087046261,7.060691926,6.899904,6.718464,0,0,1.226041937,1.623435172,1.209682544,1.230406672,1.107630795,0.748672634,0.444612905,0,0,165.54322,145.1096198,158.7060222,156.8381068,158.3391292,170.4653319,184.917652,0,0,1.752314815,2.193236715,1.720238095,1.768115942,1.740740741,1.454545455,1,0,0,0.036260335,0.001253419,-6.87E-04,-0.014287958,-0.020005254,-0.012271418,0.027867752,0,0,645.6853813,-53.80711511,80.71067267,-107.6142302,-524.6193723,-322.8426907,605.330045,0,0,1200.679538,-100.0566282,150.0849423,-200.1132564,-975.5521249,-600.3397692,1125.637067,0,0,0.126485333,-0.010540444,0.015810667,-0.021080889,-0.102769333,-0.063242667,0.11858,0,0,5.367596186,-0.447299682,0.670949523,-0.894599364,-4.361171901,-2.683798093,5.032121424,0,0,29.15686767,-2.429738973,3.644608459,-4.859477945,-23.68995498,-14.57843384,27.33456344,0,0,3.717592593,-1.287229938,0.734953704,-0.643904321,-0.475694444,-3.320601852,3.133680556,0,0,0.001510847,5.45E-05,-1.64E-05,-3.11E-04,-3.70E-04,-1.86E-04,6.19E-04,0,0,26.90355756,-2.339439787,1.921682683,-2.339439787,-9.715173562,-4.891555919,13.45177878,0,0,50.0283141,-4.350288182,3.573451007,-4.350288182,-18.06578009,-9.096057109,25.01415705,0,0,0.005270222,-4.58E-04,3.76E-04,-4.58E-04,-0.001903136,-9.58E-04,0.002635111,0,0,0.223649841,-0.019447812,0.015974989,-0.019447812,-0.080762443,-0.040663607,0.111824921,0,0,1.214869486,-0.105640825,0.086776392,-0.105640825,-0.43870287,-0.220885361,0.607434743,0,0,0.154899691,-0.055966519,0.017498898,-0.01399792,-0.008809156,-0.050312149,0.069637346,0,0,0.036070147,-0.010821872,-0.205585161,-0.245205234,-0.123063776,0.409891434,0,0,-0.086956522,0.071428571,-0.086956522,-0.361111111,-0.181818182,0.5,0,0,-0.086956522,0.071428571,-0.086956522,-0.361111111,-0.181818182,0.5,0,0,-0.086956522,0.071428571,-0.086956522,-0.361111111,-0.181818182,0.5,0,0,-0.086956522,0.071428571,-0.086956522,-0.361111111,-0.181818182,0.5,0,0,-0.086956522,0.071428571,-0.086956522,-0.361111111,-0.181818182,0.5,0,0,-0.361308138,0.112969223,-0.090367643,-0.056870071,-0.32480471,0.449564134,0,0,1.336956115,1.251396152,1.437858396,1.205482717,0.92812889,0.004384695,0,0,1.5,1.026785714,1.21875,1.4375,0.980113636,0,0,0,1.5,1.026785714,1.21875,1.4375,0.980113636,0,0,0,1.5,1.026785714,1.21875,1.4375,0.980113636,0,0,0,1.5,1.026785714,1.21875,1.4375,0.980113636,0,0,0,1.5,1.026785714,1.21875,1.4375,0.980113636,0,0,0,1.853051059,0.769258139,1.064757161,1.097965961,1.406090796,0,0,0,31.22277327,15.61138663,20.84745461,31.22277327,3.902846658,15.61138714,8.88E-15,1.55E-15,1.94E-16,-27.27819459,5000004.229,625000.5287,12.33995945,31.22277327,15.61138663,20.84745461,31.22277327,3.902846658,15.61138714,8.88E-15,1.55E-15,1.94E-16,-27.27819459,5000004.229,625000.5287,12.33995945,31.22277327,15.61138663,20.84745461,31.22277327,3.902846658,15.61138714,8.88E-15,1.55E-15,1.94E-16,-27.27819459,5000004.229,625000.5287,12.33995945,31.22277327,15.61138663,20.84745461,31.22277327,3.902846658,15.61138714,8.88E-15,1.55E-15,1.94E-16,-27.27819459,5000004.229,625000.5287,12.33995945,31.22277327,15.61138663,20.84745461,31.22277327,3.902846658,15.61138714,8.88E-15,1.55E-15,1.94E-16,-27.27819459,5000004.229,625000.5287,12.33995945,31.22277327,15.61138663,20.84745461,31.22277327,3.902846658,15.61138714,8.88E-15,1.55E-15,1.94E-16,-27.27819459,5000004.229,625000.5287,12.33995945,35.71587118,17.79682448,24.20816051,35.62420452,4.453025564,17.79682453,-0.122222222,6.66E-16,8.33E-17,-27.95603288,5000004.123,625000.5153,12.33995944,0,11.89,12.11011416,-0.158799299,0.062983496,5.685188615,8.955004397,7,23,22,22,6,1,1,0,0,1,17.491312,3.636135612,2.961360882,2.902564078,2.333552793,2.093979271,1.598026915,1.211552637,0.083923071,1.926351509,1.57243158,1.563026335,1.249629723,0.982383351,0.769718516,0.170092751,0.083923071,3.652954379,3.003930096,2.950308951,2.405454588,2.160567758,1.695309721,1.299166566,0.270913902,1.87838324,1.487110328,1.473453684,1.134540686,0.867012047,0.630337185,0.071371479,0.270913902,3.731500773,3.190066091,3.155598408,2.704236987,2.443999032,2.090117344,1.644025007,0.943918427,1.748107232,1.226795115,1.195492746,0.76031856,0.498254178,0.162386152,0.295320902,0.943918427,3.665586265,3.035275641,2.985267979,2.457539916,2.209226497,1.765276817,1.361657312,0.399277246,1.8487864,1.431903959,1.415133181,1.058262671,0.79100487,0.536857124,0.00221875,0.399277246,3.772564616,3.279310763,3.252217518,2.838982085,2.574841838,2.26277616,1.78735115,1.207644823,1.710873186,1.143193796,1.104407163,0.631337262,0.373935215,0.004703131,0.436868298,1.207644823,3.645352698,3.100873346,3.040414773,2.591598066,2.290463372,1.821430172,1.406903333,0.558139535,1.85501989,1.34466839,1.343277852,0.917179462,0.693138292,0.447409113,0.052494448,0.558139535,0,0,0,0,2,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0.5,0,0.166666667,0,0.375,0,0.125,0,1.138071187,1.304737854,0.333333333,0.853553391,0.978553391,0.25,6.568914101,3.718744015,2.820593172,1.991563832,1.231484176,0,0,0,0.821114263,0.531249145,0.352574147,0.248945479,0.246296835,0,0,0,6.414213562,3.371320344,2.310660172,1.560660172,0.957106781,0,0,0,0.801776695,0.481617192,0.288832521,0.195082521,0.191421356,0,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,43,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,4,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.097222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.067361111,1.161111111,0,0,0,0,0,0,0,0,0,0,8.793981481,0,2.44212963,0,0,0,0,0,0,3.097222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.49537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.243402778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.18287037,0,1.221064815,0,0,0,0,0,0,1.49537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.601851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290277778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.21412037,0,1.221064815,0,0,0,0,0,0,1.601851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,1.791666667,0.290277778,2.21412037,0.013888889,1.221064815,4.539398148,0.278935185,0.21412037,1.587962963,0.278935185,0.21412037,1.587962963,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.5,0.25,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,8.06411,1.00801,9.08078,1.01668,0.12708,3.1411,0.39264,3.71873,0.57763,0.0722,0.19527,0.02441,0.19527,0.02441,0,7,0,0,0,0,0,0,0.75,0.918295834,1.584962501,2.709147917,2.709147917,2.518107813,2.028320834,22.03910002,38.03910002,65.01955001,65.01955001,60.43458751,48.67970001,0.200284263,0.345687124,0.590876788,0.590876788,0.549210122,0.442385479,3.666666667,3,1.875814584,1.875814584,2.066854688,2.556641667,0.200284263,0.345687124,0.590876788,0.590876788,0.549210122,0.442385479,6.73287657,14.73287657,16.78187335,16.78187335,14.4893921,8.611948353,31.59900002,20.57945001,20.77067709,20.77067709,19.62443646,14.89323334,8,3.9375,2.8125,8,2,5,2.34,1.1928,1.683693072,3.509530701,4.298279727,0,0.5,2.828427125,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.099,0.064,0.179,0.192,3.66,8,8,5,0,0,0,0,0,0,36,2.197224577,2.564949357,2.708050201,2.302585093,0,0,0,0,0,0,3.951243719,1.416666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,2,4,1,2,1.111111111,0.625,0,0,0,0,0,0,0,0.285714286,0.138888889,0.078125,0,0,0,0,0,0,0,0.502728175,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,0,144.287877,4,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,72.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.389132521,112.1252005,4.671883355,14.50113758,1.812642197,0,0,0,67,8,3.362,30,1.219481556,2.104663604,3.031961722,3.857267085,4.588768948,4.726268024,0,0,0,0,75.37184678,83.87909562,111.4452516,88.67828921,27.00117367,4.802190793,0,0,0,0,281.526436,344.1391568,482.5932869,497.9931398,311.1233263,146.9101074,0,0,0,0,8.873756383,14.95427239,21.56819329,27.32025114,31.63345259,31.75326157,0,0,0,0,2.126268175,2.774782301,3.958529933,4.437070548,3.387536274,2.101359755,0,0,0,0,174.6559621,327.9500652,469.8196115,604.1291318,784.5051167,873.9703858,0,0,0,0,2.765257151,3.82123762,5.554165668,6.903260496,6.602892328,4.726268024,0,0,0,0,0.44057471,0.582944507,0.833658028,0.946520638,0.747033317,0.483969846,0,0,0,0,334.0208068,142.7071564,8.836412608,61.70225416,-26.36169082,-3.554165477,272.3185527,169.0688472,12.39057808,0.844077184,0.360623806,0.022329789,0.155922816,-0.066616514,-0.008981446,132.1797361,56.47251275,3.496772245,24.41700489,-10.43192898,-1.406465242,0.071950725,0.179000218,1.548721587,0.776845536,395.723061,0,1,0,445.9098004,21.11657644,7.639806152,606.4236352,24.62567025,8.464319337,764.1457205,27.64318579,9.142368628,1.24043061,1.24043061,518.9843649,323.5304597,214.7283689,1.604128295,2.416934323,1.506696397,4.302901731,3.590134676,6.877702442,0.915722685,6.664399502,5.688967748,5.512752204,12.56405925,16.73874032,5.173377198,12.92066001,12.34178222,11.31844754,7.078555625,1.252004022,2.35358834,0.224098572,1.52E-17,1.99E-55,5.01E-115,2.44E-196,2.29E-299,0,0,0,0,0,0,0,0,0,0,0,0,0.559297531,5.642901747,0.218567495,2.941857471,3.074780917,0.192190879,3.709679617,0.936841913,0.299710435,0.361958411,0.046242453,0.016576591,0.001578345,1.07E-19,1.40E-57,3.53E-117,1.72E-198,1.61E-301,0,0,0,0,0,0,0,0,0,0,0,0,1.805478999,5.645980119,0.866392749,3.891056177,4.859306267,0.777192157,5.588914671,2.516085004,1.394833434,1.312998638,0.188040754,0.172740263,0.016447567,1.12E-18,1.46E-56,3.68E-116,1.79E-197,1.68E-300,0,0,0,0,0,0,0,0,0,0,0,0,6.290649534,5.683910158,5.035524841,11.61595773,15.54685536,4.715688371,12.35644407,11.37869758,10.23562858,6.518802258,1.14128202,2.09700489,0.199667793,1.35E-17,1.77E-55,4.47E-115,2.17E-196,2.04E-299,0,0,0,0,0,0,0,0,0,0,0,0,2.66094351,5.649971254,1.439620875,4.843995501,6.382607592,1.306977175,6.879224507,3.822504767,2.489258264,2.090552892,0.316356602,0.375214747,0.035726314,2.42E-18,3.17E-56,7.99E-116,3.89E-197,3.65E-300,0,0,0,0,0,0,0,0,0,0,0,0,8.048227406,5.710234199,7.453567912,16.48211227,21.55526925,7.041422452,15.0100682,16.2084052,15.79118704,9.319758313,1.703861909,3.432487152,0.326826706,2.22E-17,2.90E-55,7.31E-115,3.56E-196,3.34E-299,0,0,0,0,0,0,0,0,0,0,0,0,3.921399352,5.231786374,2.289500475,6.165422695,8.72738425,2.131130961,8.363278935,5.794249273,4.415255978,3.453824078,0.541668971,0.733189536,0.069811129,4.73E-18,6.19E-56,1.56E-115,7.60E-197,7.13E-300,0,0,0,0,0,0,0,0,0,0,0,0,3.951973528,2.62955669,0.39843357,0.566188257,0.376729274,0.54902772,0.616780973,0.49963626,6.979963788,13.01424101,24.13470193,0.414376296,1.665444953,2.799287155,1.830912278,0.085895995,0.593560329,0.3882263,0.275461635,0.299020502,0.023221375,4.716095428,5.52296481,10.67929862,0.472679944,0.597703512,3.257096767,2.148107916,0.210025775,0.580046855,0.382550268,0.37293019,0.411602574,0.13883127,5.615230458,8.131827652,15.21652347,0.443895684,0.923364033,3.923436261,2.609784505,0.39069602,0.566649829,0.376923147,0.541127272,0.607540435,0.480418893,6.923916786,12.79182651,23.71620611,0.415359464,1.629086599,3.461161355,2.289495067,0.265355527,0.57532488,0.380566908,0.421123921,0.467568576,0.221614606,6.016011949,9.450280315,17.56905221,0.433837683,1.110307102,4.041316092,2.691458124,0.422657773,0.564789952,0.376141948,0.57413214,0.6461616,0.562237518,7.155431988,13.72269238,25.47538692,0.41139785,1.782531258,3.931641904,2.611092315,0.390817637,0.567045864,0.376587984,0.543393112,0.608149486,0.48071803,6.933551855,12.82289588,23.76853468,0.415450772,1.632260629 +UMLRON0269,L,2-methyl-3-ethyl-2-pentene,CCC(=C(C)C)CC,140592,,UML,[1],C8H16,PubChem,,95.6,0,1.4802,2.19099204,30.3189,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,924.178589,686.110827,453.118514,154.429632,18.289152,0,0,2914.106344,3494.423905,4233.124071,3907.204221,2814.464344,1656.593096,559.5073998,0,0,125.864664,123.114164,212.050868,238.877292,228.143432,145.87776,120.932352,0,0,22.06875486,27.30703172,35.7627251,35.52832815,27.38797691,17.36404786,8.003032287,0,0,2979.777961,2471.442353,4748.191412,5476.928195,5604.494673,3501.729441,3328.517736,0,0,33.77777778,39.33333333,55,61,49,33,18,0,0,48.76541633,50.97680359,30.80595297,20.17973021,13.73086406,7.353792,1.016064,0,0,161.8947969,205.5543474,141.1041357,114.9177712,85.28679831,78.88538554,31.08374443,0,0,6.992481333,7.242009647,7.068362267,7.025802706,6.913437333,6.94656,6.718464,0,0,1.226041937,1.606295984,1.192090837,1.044950828,0.829938694,0.826859422,0.444612905,0,0,165.54322,145.3789619,158.2730471,161.0861234,169.8331719,166.749021,184.917652,0,0,1.87654321,2.31372549,1.833333333,1.794117647,1.484848485,1.571428571,1,0,0,0.038739543,-0.005318411,-0.006860597,-0.014913254,0.001730692,-0.005514603,0.011506402,0,0,484.264036,-53.80711511,-40.35533633,-228.6802392,40.35533633,-201.7766817,242.132018,0,0,900.5096538,-100.0566282,-75.04247115,-425.2406698,75.04247115,-375.2123557,450.2548269,0,0,0.094864,-0.010540444,-0.007905333,-0.044796889,0.007905333,-0.039526667,0.047432,0,0,4.025697139,-0.447299682,-0.335474762,-1.901023649,0.335474762,-1.677373808,2.01284857,0,0,21.86765075,-2.429738973,-1.822304229,-10.32639063,1.822304229,-9.111521147,10.93382538,0,0,3.530864198,-1.235939643,0.843621399,-1.990397805,0.748971193,-1.711934156,1.580246914,0,0,0.002152197,-3.13E-04,-2.29E-04,-4.39E-04,5.24E-05,-2.63E-04,6.39E-04,0,0,26.90355756,-3.165124418,-1.345177878,-6.725889389,1.22288898,-9.608413413,13.45177878,0,0,50.0283141,-5.885684011,-2.501415705,-12.50707852,2.274014277,-17.86725503,25.01415705,0,0,0.005270222,-6.20E-04,-2.64E-04,-0.001317556,2.40E-04,-0.001882222,0.002635111,0,0,0.223649841,-0.026311746,-0.011182492,-0.05591246,0.010165902,-0.079874943,0.111824921,0,0,1.214869486,-0.142925822,-0.060743474,-0.303717372,0.05522134,-0.433881959,0.607434743,0,0,0.196159122,-0.072702332,0.028120713,-0.058541112,0.022696097,-0.081520674,0.087791495,0,0,-0.145362031,-0.106257271,-0.203803444,0.024368221,-0.122014924,0.297019547,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.370629371,0.143356643,-0.298436857,0.115702479,-0.415584416,0.447552448,0,0,1.427202771,1.144646009,1.403409204,0.873431703,0.847932943,0.002912317,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.762237762,0.82027972,1.384615385,0.68086459,1.375624376,0,0,0,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,23.34439958,11.60275535,17.78940131,23.25180699,3.875301165,11.60277715,-0.138888889,0.120260574,0.020043429,-1.270856665,14.94631712,2.491052853,1.622678954,0,11.89,12.11007471,-0.154954146,0.067228264,5.295743165,7.50302765,5,17,16,16,4,1,1,0,0,1,13.118484,3.517606619,2.973446727,2.333552793,2.144218941,1.212755647,0.714238454,0.083923071,0.083923071,1.876614671,1.562795977,1.249629723,1.006105503,0.454457131,0.242677753,0.083923071,0.083923071,3.540212065,3.013827555,2.405454588,2.210649939,1.314575117,0.85296352,0.270913902,0.270913902,1.821017008,1.479346258,1.134540686,0.896768592,0.306288247,0.074238581,0.270913902,0.270913902,3.642387894,3.191621124,2.704236987,2.48977734,1.731762504,1.391492478,0.943918427,0.943918427,1.66333078,1.226940148,0.76031856,0.542581238,0.191473927,0.513929033,0.943918427,0.943918427,3.557013739,3.043627675,2.457539916,2.258979998,1.388112991,0.95125216,0.399277246,0.399277246,1.786115895,1.425528926,1.058262671,0.824386046,0.206853942,0.040284473,0.399277246,0.399277246,3.693794691,3.277571518,2.838982085,2.616800193,1.915254049,1.615628258,1.207644823,1.207644823,1.616067843,1.146660394,0.631337262,0.421299785,0.368828517,0.734374911,1.207644823,1.207644823,3.556782529,3.083747819,2.546278942,2.343749412,1.420038507,1.048111874,0.529411765,0.529411765,1.788931672,1.355414829,0.958043648,0.730094412,0.145135207,0.155381273,0.529411765,0.529411765,0,0,0,2,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.333333333,0,0,0,0.288675135,0.288675135,0,0.19245009,0.19245009,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.732050808,2.398717474,1.769800359,0.577350269,0.384900179,0,0,0,0.788675135,0.479743495,0.353960072,0.19245009,0.19245009,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,2,0,2,0,0,0,0,0,0,0,0,3,0,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.240740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.632638889,0,0,0.777083333,0.580555556,0,0.632638889,0,0,0,0,0,0,0,0,6.375,0,0,0,4.240740741,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.074074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.243402778,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.041666667,0,0,0,2.074074074,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.328472222,0,0,0.290277778,0.290277778,0,0.328472222,0,0,0,0,0,0,0,0,2.166666667,0,0,0,2.166666667,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.33333333,1.888888889,0.328472222,2.166666667,0.243402778,0.717592593,4.246384259,0.615740741,0.166666667,1.231481481,0.615740741,0.166666667,1.231481481,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.61349,0.76891,5.69868,1.0852,0.18087,2.19337,0.36556,2.77005,0.57668,0.09611,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.99107606,2.821888196,2.821888196,2.521052779,2.006349306,16.52932501,35.83936908,50.79398752,50.79398752,45.37895002,36.11428751,0.220218789,0.477484861,0.676723969,0.676723969,0.604579885,0.481147576,3.251629167,2.178848942,1.348036806,1.348036806,1.648872223,2.163575695,0.220218789,0.477484861,0.676723969,0.676723969,0.604579885,0.481147576,6.73287657,14.84279915,16.90146519,15.68011242,14.051801,8.440120483,23.69925001,16.64860504,15.1849632,16.39047709,13.9585639,10.54227292,6,3.2,5.333333333,6,2,5,2.12,0.911,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,2.48,5,3,2,0,0,0,0,0,0,21,1.945910149,2.079441542,1.945910149,1.609437912,0,0,0,0,0,0,3.401197382,1.380952381,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,109.6959078,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,84.09390038,4.671883355,10.67917749,1.779862916,0,0,0,32,3,3.278,20,1.207787903,2.100361854,2.947982166,3.639062618,4.735669249,5.494141844,0,0,0,0,72.17690586,74.65986587,67.65206521,60.72670214,37.25718223,5.582399738,0,0,0,0,273.0506657,325.3168428,361.4241615,346.3130712,391.9186158,170.7785009,0,0,0,0,8.780754928,14.9137832,20.7605907,25.26095102,32.98414071,36.91219419,0,0,0,0,2.074539246,2.682054333,3.216704496,3.255513208,4.062416973,2.442766365,0,0,0,0,173.4736885,327.5343341,471.4200003,610.350788,782.6961351,1015.96381,0,0,0,0,2.885111109,4.051419395,5.430808908,5.67667453,7.661047392,5.494141844,0,0,0,0,0.430317172,0.565457091,0.686932721,0.703151175,0.887464564,0.562600125,0,0,0,0,290.9934229,107.7280351,8.7208499,76.48312035,-28.31464777,-4.822964846,214.5103026,136.0426829,13.54381475,0.791869381,0.293156222,0.023731719,0.208130619,-0.077051579,-0.013124552,106.9332572,39.58752596,3.204707776,28.10575269,-10.40496889,-1.77232645,0.154365035,0.245231668,2.677258677,4.041195557,367.4765433,0,1,0,330.8262414,18.18862945,6.916185774,451.1290942,21.23979977,7.669498123,493.4639078,22.21404753,7.902268791,1.787213443,1.691654732,328.4409075,281.4143118,70.50675833,1.167108046,4.658289719,3.991309747,3.736027053,3.460969306,6.770815545,0.956335045,4.955501148,3.900248979,1.92771872,11.86144102,5.942648827,5.121935331,2.496637685,6.344842851,6.278591302,1.189870205,3.698592824,7.10E-04,0.005234147,8.09E-24,2.41E-66,1.39E-130,1.54E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,0.415887721,3.894586062,0.157774023,5.04727075,0.618599592,0.348809216,0.546359982,1.013533901,1.154143548,0.080803917,0.096801595,5.00E-06,3.69E-05,5.70E-26,1.70E-68,9.78E-133,1.08E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,1.342519603,3.894964577,0.511953478,5.555828094,1.117056026,1.178818242,0.914619821,1.48014777,1.769417861,0.273399882,0.453231625,5.21E-05,3.84E-04,5.94E-25,1.77E-67,1.02E-131,1.13E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,4.677589267,3.899627278,1.816850817,11.13213263,5.408594881,4.778683736,2.366689006,5.798555392,5.812496605,1.110020848,3.344096636,6.32E-04,0.004663531,7.21E-24,2.15E-66,1.24E-130,1.37E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,1.97862334,3.895455244,0.757195893,6.166927741,1.63390786,1.791435445,1.176276816,1.985035393,2.319678443,0.415643364,0.810375017,1.13E-04,8.34E-04,1.29E-24,3.85E-67,2.21E-131,2.46E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,5.984483754,3.902863122,2.341066163,14.91616433,8.156314233,6.450798384,2.98976251,8.617189065,8.177345849,1.499088296,5.1632763,0.001034886,0.007633511,1.18E-23,3.52E-66,2.02E-130,2.25E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,2.70614284,3.314883459,1.019261694,7.251988758,2.397874285,2.57468769,1.41302939,2.759780656,3.166401717,0.597523324,1.294566571,1.99E-04,0.00146701,2.27E-24,6.77E-67,3.89E-131,4.32E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,4.251481683,1.293617751,0.465455027,0.707336022,0.215224362,0.554061509,0.489191181,0.315764205,6.010554462,8.080786584,16.65124696,0.561004033,1.359016895,3.210578661,0.69903583,0.141872272,0.792444564,0.1725381,0.316077532,0.14177247,0.029179644,4.051486762,2.798975406,7.168867457,0.688666846,0.487029647,3.623970343,0.934362735,0.271231784,0.75037202,0.193467271,0.402646529,0.253827532,0.107130881,4.829564863,4.622467658,10.37045124,0.62555803,0.763604942,4.225709952,1.278830601,0.457512912,0.708767537,0.21449499,0.547367898,0.477960045,0.305090855,5.962053465,7.922365576,16.35680381,0.563151306,1.330418799,3.808245823,1.039663119,0.328477356,0.735695832,0.200847282,0.444609294,0.314729531,0.157239475,5.176386298,5.551721042,12.02864535,0.603543748,0.9165783,4.332166592,1.339926716,0.490304824,0.703000114,0.217435921,0.575280665,0.525223831,0.350334157,6.162398133,8.58584047,17.59435306,0.554500172,1.450838653,4.229389747,1.279435934,0.456834715,0.708955835,0.214466773,0.548331579,0.478392186,0.304134618,5.965660396,7.92785603,16.36555561,0.563433752,1.330858383 +UMLRON0270,L,trans-4-methyl-2-pentene,C/C=C/C(C)C,172092,Sandia values from independent api report ,Sandia,,C6H12,PubChem,,98,0,0.8664,0.75064896,38.2621,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1311.595663,1079.624285,824.449924,640.730667,472.25237,160.526016,18.289152,3885.475125,4800.404174,6060.218294,5920.800911,4660.75529,3541.508989,2888.518855,1843.095563,559.5073998,167.819552,166.665724,297.509884,364.647092,353.114896,230.562156,208.786376,186.188544,120.932352,29.42500648,37.33900896,51.13810539,53.57138587,44.09317182,32.40798963,27.39200101,20.03172529,8.003032287,3973.037281,3337.521256,6596.59581,8434.838505,8625.995192,5419.19096,4986.151509,4611.235353,3328.517736,42.27777778,49.66666667,73.33333333,87.25,75.33333333,51.33333333,45,39,18,48.76541633,52.3287937,31.22846817,20.76200548,16.16568478,19.41608082,15.74174567,5.945408,1.016064,161.8947969,208.713225,144.2909118,113.861556,91.38735863,107.3184542,96.28396182,68.26279863,31.08374443,6.992481333,7.246335826,7.083568667,7.012444077,6.92382149,6.986732,6.959545867,6.895872,6.718464,1.226041937,1.623435172,1.217573938,1.030218959,0.864571996,0.982060292,0.9130667,0.741915752,0.444612905,165.54322,145.1096198,157.061805,162.2084328,169.1371606,164.2179079,166.2050503,170.7864946,184.917652,1.761574074,2.15942029,1.746031746,1.677884615,1.477124183,1.555555556,1.5,1.444444444,1,0.047419015,-0.005591747,-0.014505473,-0.00860333,0.002429814,-0.004499316,0.004076257,-0.006750855,0.009735142,645.6853813,-53.80711511,-121.066009,-228.6802392,121.066009,-80.71067267,-80.71067267,-121.066009,242.132018,1200.679538,-100.0566282,-225.1274134,-425.2406698,225.1274134,-150.0849423,-150.0849423,-225.1274134,450.2548269,0.126485333,-0.010540444,-0.023716,-0.044796889,0.023716,-0.015810667,-0.015810667,-0.023716,0.047432,5.367596186,-0.447299682,-1.006424285,-1.901023649,1.006424285,-0.670949523,-0.670949523,-1.006424285,2.01284857,29.15686767,-2.429738973,-5.466912688,-10.32639063,5.466912688,-3.644608459,-3.644608459,-5.466912688,10.93382538,3.939814815,-1.222415123,0.133101852,-1.152006173,0.500578704,-0.85474537,0.658564815,-1.286458333,1.253472222,0.001975792,-2.43E-04,-3.45E-04,-1.65E-04,4.76E-05,-1.36E-04,1.36E-04,-2.50E-04,5.41E-04,26.90355756,-2.339439787,-2.882524024,-4.397696908,2.373843314,-2.44577796,-2.690355756,-4.483926259,13.45177878,50.0283141,-4.350288182,-5.36017651,-8.177705189,4.414263009,-4.548028554,-5.00283141,-8.33805235,25.01415705,0.005270222,-4.58E-04,-5.65E-04,-8.61E-04,4.65E-04,-4.79E-04,-5.27E-04,-8.78E-04,0.002635111,0.223649841,-0.019447812,-0.023962483,-0.036558147,0.01973381,-0.020331804,-0.022364984,-0.037274974,0.111824921,1.214869486,-0.105640825,-0.130164588,-0.198584435,0.107194366,-0.110442681,-0.121486949,-0.202478248,0.607434743,0.164158951,-0.053148484,0.003169092,-0.022153965,0.009815269,-0.025901375,0.02195216,-0.047646605,0.069637346,-0.123049078,-0.17479996,-0.083737873,0.024113575,-0.069006695,0.068769991,-0.126547552,0.27373385,-0.086956522,-0.107142857,-0.163461538,0.088235294,-0.090909091,-0.1,-0.166666667,0.5,-0.086956522,-0.107142857,-0.163461538,0.088235294,-0.090909091,-0.1,-0.166666667,0.5,-0.086956522,-0.107142857,-0.163461538,0.088235294,-0.090909091,-0.1,-0.166666667,0.5,-0.086956522,-0.107142857,-0.163461538,0.088235294,-0.090909091,-0.1,-0.166666667,0.5,-0.086956522,-0.107142857,-0.163461538,0.088235294,-0.090909091,-0.1,-0.166666667,0.5,-0.323762326,0.019305019,-0.134954352,0.059791249,-0.157782288,0.133725029,-0.290246769,0.424206816,1.448500011,1.223587123,1.180904749,0.97214873,1.15673747,0.691557364,0.792153618,1.81E-07,1.5,1.232142857,1.161057692,0.761029412,1.045454545,1.00625,0.958333333,0,1.5,1.232142857,1.161057692,0.761029412,1.045454545,1.00625,0.958333333,0,1.5,1.232142857,1.161057692,0.761029412,1.045454545,1.00625,0.958333333,0,1.5,1.232142857,1.161057692,0.761029412,1.045454545,1.00625,0.958333333,0,1.5,1.232142857,1.161057692,0.761029412,1.045454545,1.00625,0.958333333,0,1.74853114,0.961389961,1.20997921,0.823529412,1.076167076,0.664864865,1.297297297,0,37.24512115,18.62256057,29.17914924,37.24512115,4.655640143,18.6225606,-1.78E-14,0.021136463,0.002642058,-3.085404494,29.39493103,3.674366379,2.704657796,37.24512115,18.62256057,29.17914924,37.24512115,4.655640143,18.6225606,-1.78E-14,0.021136463,0.002642058,-3.085404494,29.39493103,3.674366379,2.704657796,37.24512115,18.62256057,29.17914924,37.24512115,4.655640143,18.6225606,-1.78E-14,0.021136463,0.002642058,-3.085404494,29.39493103,3.674366379,2.704657796,37.24512115,18.62256057,29.17914924,37.24512115,4.655640143,18.6225606,-1.78E-14,0.021136463,0.002642058,-3.085404494,29.39493103,3.674366379,2.704657796,37.24512115,18.62256057,29.17914924,37.24512115,4.655640143,18.6225606,-1.78E-14,0.021136463,0.002642058,-3.085404494,29.39493103,3.674366379,2.704657796,37.24512115,18.62256057,29.17914924,37.24512115,4.655640143,18.6225606,-1.78E-14,0.021136463,0.002642058,-3.085404494,29.39493103,3.674366379,2.704657796,44.13046355,21.959329,34.62721926,43.97160939,5.496451173,21.959329,-0.211805556,0.08399032,0.01049879,-1.981642982,39.28357366,4.910446708,2.936645167,0,11.89,12.11011416,-0.163253098,0.05768266,5.211368943,7.654976521,7,23,22,22,6,1,1,0,0,1,17.491312,3.549970511,3.237979762,2.738050812,2.333552793,2.085309633,1.531119477,1.022943612,0.743438454,1.90839194,1.726732821,1.382538319,1.249629723,0.98455714,0.671977441,0.388113459,0.259039647,3.572884245,3.270575022,2.783968208,2.405454588,2.15259424,1.624232497,1.140504847,0.880878983,1.853491834,1.655349249,1.294411248,1.134540686,0.86803925,0.534852841,0.231396038,0.091700267,3.675777521,3.415190765,2.983000265,2.704236987,2.43964273,2.006041526,1.610146726,1.414336636,1.696742182,1.444212249,1.021918801,0.76031856,0.494641653,0.076454444,0.305343905,0.491918242,3.589878348,3.29467421,2.817689026,2.457539916,2.20181141,1.69147161,1.224664751,0.978229603,1.81894397,1.609741237,1.237093929,1.058262671,0.79118034,0.443010237,0.125533205,0.022024677,3.727169636,3.48602247,3.077358047,2.838982085,2.572271861,2.17446728,1.811298927,1.636541247,1.649372699,1.378404738,0.933160865,0.631337262,0.368626138,0.086133762,0.501430801,0.71038417,3.601143237,3.31122945,2.900971687,2.591598066,2.255865716,1.755848829,1.282988812,1.116861525,1.817346218,1.568981611,1.1407539,0.917179462,0.701486893,0.343547193,0.035291273,0.173195508,0,0,0,2,0,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.144337567,0.23570226,0.136082763,0.096225045,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,6.14626437,3.419885524,2.509201922,1.009856211,0.535057239,0.288675135,0.19245009,0,0.768283046,0.488555075,0.358457417,0.201971242,0.13376431,0.096225045,0.096225045,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,6,2,0,2,0,0,0,0,0,0,0,0,3,0,2,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.476851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.581388889,0,0,1.518611111,0.580555556,0,0.581388889,0,0,0,0,0,0,0,0,6.635740741,0,2.403333333,0,4.476851852,0,0.817407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.222222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.285069444,0,0,0.225625,0.290277778,0,0.285069444,0,0,0,0,0,0,0,0,2.163518519,0,1.173333333,0,2.222222222,0,0.817407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.296319444,0,0,0.290277778,0.290277778,0,0.296319444,0,0,0,0,0,0,0,0,2.236111111,0,1.23,0,2.25462963,0,0.817407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,1.791666667,0.296319444,2.25462963,0.225625,0.817407407,5.625963333,0.515925926,0.25462963,2.225185185,0.515925926,0.25462963,2.225185185,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.375,0.125,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.20553,0.90069,8.40872,1.2032,0.1504,3.22715,0.40339,3.77005,0.54289,0.06786,0.14395,0.01799,0.14395,0.01799,0,7,0,0,0,0,0,0,0.75,0.918295834,1.91588515,2.812907292,3.323934896,3.188721876,2.914348438,22.03910002,45.98124361,67.509775,79.77443751,76.52932501,69.94436251,0.200284263,0.417862774,0.613507153,0.724964467,0.695473927,0.635631903,3.666666667,2.66907735,1.772055209,1.261027604,1.396240625,1.670614063,0.200284263,0.417862774,0.613507153,0.724964467,0.695473927,0.635631903,6.73287657,14.72064472,17.80245923,18.31748564,17.26519999,15.80474791,31.59900002,22.01412127,19.04248125,17.86340886,19.34774479,17.43734375,8,5.142857143,7.2,8,2,7,2.34,1.1928,0.721124785,4.146039495,1.754410643,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,3.478,7,5,4,3,2,0,0,0,0,36,2.197224577,2.302585093,2.197224577,2.197224577,1.945910149,1.609437912,0,0,0,0,3.951243719,1.416666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,0,144.287877,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,112.1252005,4.671883355,14.66595917,1.833244896,0,0,0,79,5,4.315,28,1.215965585,2.115028537,2.926101425,3.617802185,4.836169409,5.857575512,6.787080776,7.699192464,0,0,74.79263279,75.63755977,70.75187446,73.33283901,109.6354571,105.0159996,43.20403215,7.822872292,0,0,279.8691712,332.7810193,359.8741565,378.5075595,568.9593187,607.0787884,484.8165472,239.3197309,0,0,8.847013805,15.04537529,20.57215106,25.17962779,33.92240438,40.88996226,46.90548673,51.7267474,0,0,2.115549923,2.744324695,3.171847306,3.436805827,5.069519077,5.631171678,5.207458509,3.423160326,0,0,174.2244977,327.6162671,470.9353468,602.1865805,784.295998,964.2619575,1150.965591,1423.716593,0,0,2.706304941,3.850008086,5.057506322,5.64729315,7.796398142,9.093342021,10.06071211,7.699192464,0,0,0.438421312,0.578418522,0.676680964,0.73820455,1.08378986,1.212076181,1.145448743,0.788397308,0,0,389.2816834,185.2173542,10.86715372,122.4296001,-58.25110089,-7.254632977,266.8520833,243.4684551,18.12178669,0.760744771,0.361956752,0.021236885,0.239255229,-0.113835873,-0.0141772,199.1998299,94.77781006,5.560845177,62.64860782,-29.8077456,-3.712277552,0.11959836,0.185337394,1.156197427,1.952584721,511.7112835,0,1,0,454.702734,21.32375985,7.68969631,614.9693592,24.79857575,8.50389376,714.3314761,26.7269803,8.939226245,2.060290521,2.060290521,801.4286276,751.5815704,83.61637547,1.066322884,9.584589419,8.988449526,4.549430143,4.679498509,9.283905119,0.983953003,6.549724976,5.745638303,2.773807877,20.90284615,9.782110048,6.374974331,4.793821443,6.714930058,9.18911281,1.890151566,4.253314538,8.300517078,2.8258369,6.088338161,1.000233042,3.761687623,3.16E-04,0.009375084,5.37E-23,5.93E-65,1.26E-128,5.18E-214,4.106E-321,0,0,0,0,0,0,0,0.549681346,5.73844075,0.226646441,6.870403746,1.014595452,0.484593965,0.772714873,0.195922083,3.211004829,0.151130704,0.186708081,1.156082737,0.119178495,1.191033777,0.007044811,0.091178433,2.23E-06,6.60E-05,3.78E-25,4.17E-67,8.89E-131,3.65E-216,3.0E-323,0,0,0,0,0,0,0,1.774418168,5.738921854,0.735688181,7.881325454,1.624689085,1.594286596,1.581522026,0.869604365,4.008609868,0.492351403,0.712994466,2.279954408,0.462459404,1.821757,0.073411672,0.442273733,2.32E-05,6.88E-04,3.94E-24,4.35E-66,9.26E-130,3.80E-215,3.0E-322,0,0,0,0,0,0,0,6.182406604,5.744848128,2.61402059,19.38811893,8.828085842,5.981589576,4.54341178,6.083421098,8.673616251,1.778825471,3.896887306,7.744819168,2.586127139,5.658016664,0.891189693,3.396135103,2.82E-04,0.008353031,4.78E-23,5.28E-65,1.12E-128,4.62E-214,3.656E-321,0,0,0,0,0,0,0,2.6151616,5.739545496,1.088362313,9.125604028,2.393729975,2.383568346,2.140301799,1.527138943,4.681635518,0.730671533,1.164476502,3.150765083,0.760228511,2.364269004,0.159459745,0.80150384,5.04E-05,0.001494598,8.56E-24,9.45E-66,2.01E-129,8.26E-215,6.5E-322,0,0,0,0,0,0,0,7.909739574,5.748960851,3.36980181,27.25566462,13.78822606,7.868720119,5.725790369,9.317018907,11.26753449,2.307865241,5.695031095,10.49236066,3.797407133,7.829811587,1.458745603,5.275084779,4.61E-04,0.013672678,7.83E-23,8.64E-65,1.84E-128,7.56E-214,5.99E-321,0,0,0,0,0,0,0,3.759050731,4.930718779,1.574768549,11.35928048,3.974277864,3.462664118,3.057745288,2.569191252,5.398697589,1.010270281,1.856797471,4.312874472,1.225455701,3.554315814,0.311592693,1.433943493,9.84E-05,0.002920524,1.67E-23,1.85E-65,3.93E-129,1.61E-214,1.28E-321,0,0,0,0,0,0,0,7.987149537,1.16218767,0.505978547,0.827228207,0.12036765,0.583322622,0.482240706,0.346336709,9.655315754,13.91193506,28.26403042,0.74084231,1.411900037,6.554401597,0.595483739,0.151747525,0.897662444,0.081554873,0.392766494,0.122875805,0.0300489,7.301632861,4.988016969,12.88192642,0.846493666,0.545691199,7.12343668,0.819831062,0.293171566,0.864868472,0.099537073,0.46395035,0.235950831,0.114335115,8.236439308,8.168754903,18.11732046,0.797302708,0.814236296,7.951678189,1.148098126,0.497268883,0.828554834,0.119630376,0.578151306,0.470328014,0.334348332,9.597045197,13.65434243,27.79110783,0.742832251,1.382827652,7.377081697,0.920191133,0.355848188,0.852534211,0.106342108,0.497589983,0.298853364,0.169480136,8.653121018,9.740894666,20.80962889,0.778801316,0.965923483,8.098201012,1.206311078,0.53323322,0.823176526,0.122620686,0.599661576,0.520538887,0.385226878,9.83774531,14.73042453,29.77729829,0.73476479,1.505427342,7.960907429,1.149395693,0.497318035,0.828603387,0.119633744,0.57950529,0.471410535,0.334336223,9.607621157,13.68095076,27.83914767,0.74290508,1.385252048 +UMLRON0271,L,6-methyl-3-heptene,CCC=CCC(C)C,175694, (trans) reported; [9] has RON of 91.3,UML,[1],C8H16,PubChem,,93.4,0,0.3292,0.10837264,21.936,15.46793,0,0,15,5,10,0,5,0,0,0,0,0,0,0,0,0,731.481245,842.391485,777.88234,373.368409,90.93168,9.144576,0,0,0,2428.421953,3264.950672,3747.43968,2830.697185,1247.927098,279.7536999,0,0,0,104.88722,108.8789,191.073424,209.560996,163.638144,60.466176,0,0,0,18.39062905,25.0799431,32.08459929,27.72343953,14.68429815,4.001516144,0,0,0,2483.148301,2165.197258,4251.561752,4917.094387,4247.253023,1664.258868,0,0,0,23.80555556,28.77777778,41.33333333,44,30,9,0,0,0,48.76541633,56.15943233,28.81045704,12.44561363,3.78882,1.016064,0,0,0,161.8947969,217.6633782,138.7940622,94.35657284,51.99696242,31.08374443,0,0,0,6.992481333,7.258593333,7.076793481,6.985366533,6.818256,6.718464,0,0,0,1.226041937,1.671996207,1.188318492,0.924114651,0.611845756,0.444612905,0,0,0,165.54322,144.3464838,157.4652501,163.9031462,176.9688759,184.917652,0,0,0,1.587037037,1.918518519,1.530864198,1.466666667,1.25,1,0,0,0,0.019684929,-0.003067391,-0.00413249,-0.010474672,0.003000583,0.004831506,0,0,0,403.5533633,9.24E-14,-121.066009,-282.4873543,80.71067267,121.066009,0,0,0,750.4247115,2.70E-13,-225.1274134,-525.297298,150.0849423,225.1274134,0,0,0,0.079053333,1.13E-15,-0.023716,-0.055337333,0.015810667,0.023716,0,0,0,3.354747616,-1.33E-15,-1.006424285,-2.348323331,0.670949523,1.006424285,0,0,0,18.22304229,5.46E-14,-5.466912688,-12.75612961,3.644608459,5.466912688,0,0,0,1.803703704,-0.894444444,0.195925926,-0.407407407,-0.197037037,0.401111111,0,0,0,0.001312329,-2.04E-04,-1.53E-04,-3.49E-04,1.25E-04,5.37E-04,0,0,0,26.90355756,6.16E-15,-4.483926259,-9.416245144,3.362944694,13.45177878,0,0,0,50.0283141,1.80E-14,-8.33805235,-17.50990993,6.253539262,25.01415705,0,0,0,0.005270222,7.55E-17,-8.78E-04,-0.001844578,6.59E-04,0.002635111,0,0,0,0.223649841,-8.88E-17,-0.037274974,-0.078277444,0.02795623,0.111824921,0,0,0,1.214869486,3.64E-15,-0.202478248,-0.42520432,0.151858686,0.607434743,0,0,0,0.120246914,-0.05962963,0.007256516,-0.013580247,-0.008209877,0.044567901,0,0,0,-0.155824354,-0.116628707,-0.266058155,0.095269041,0.409069783,0,0,0,2.29E-16,-0.166666667,-0.35,0.125,0.5,0,0,0,3.60E-16,-0.166666667,-0.35,0.125,0.5,0,0,0,1.43E-14,-0.166666667,-0.35,0.125,0.5,0,0,0,-3.97E-16,-0.166666667,-0.35,0.125,0.5,0,0,0,3.00E-15,-0.166666667,-0.35,0.125,0.5,0,0,0,-0.495893224,0.060346794,-0.112936345,-0.068275154,0.37063655,0,0,0,1.553159505,1.089843159,1.220517292,0.65255514,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.983572895,0.750627424,1.056468172,0.970225873,0,0,0,0,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,16.09969296,7.963735371,12.18440096,15.99635963,3.199271926,7.964405848,-0.172222222,2.22E-16,4.44E-17,-18.02182669,2000007,400001.4,7.254330619,0,11.89,12.11005553,-0.161877421,0.059222037,5.239054887,6.635107239,5,15,15,15,5,0,0,0,0,0,10.93207,3.722321007,2.627204026,2.240212372,1.208534506,0.921221809,0.083923071,0.083923071,0.083923071,1.653785103,1.546192531,1.106628577,0.726794591,0.266477566,0.083923071,0.083923071,0.083923071,3.74308453,2.683901841,2.310574874,1.315494198,1.040395973,0.270913902,0.270913902,0.270913902,1.580851254,1.463800908,0.99385857,0.601618755,0.098752419,0.270913902,0.270913902,0.270913902,3.835216298,2.926268482,2.6051496,1.749788554,1.520567748,0.943918427,0.943918427,0.943918427,1.367526455,1.217206733,0.629137905,0.191472921,0.487945466,0.943918427,0.943918427,0.943918427,3.758420311,2.725363301,2.361691163,1.392521882,1.126052294,0.399277246,0.399277246,0.399277246,1.534429758,1.410875787,0.919258293,0.518431346,0.01533246,0.399277246,0.399277246,0.399277246,3.880688851,3.039124258,2.738836715,1.938747012,1.727081239,1.207644823,1.207644823,1.207644823,1.302051637,1.13971065,0.504312344,0.048864215,0.708684885,1.207644823,1.207644823,1.207644823,3.71925211,2.907852171,2.514953356,1.485553894,1.229734549,0.612244898,0.612244898,0.612244898,1.466343188,1.329987955,0.774656395,0.405937409,0.180803358,0.612244898,0.612244898,0.612244898,0,0,0,0,0,2,1,2,0,0.23570226,0.471404521,0.23570226,0,0,0.23570226,0.471404521,0.23570226,0,0,0.471404521,0,0,0,0.471404521,0,0,0,0.471404521,0,0,0.471404521,0,0,3.86180732,2.304530453,2.190270029,1.276142375,0.23570226,0,0,0,0.772361464,0.460906091,0.312895718,0.255228475,0.23570226,0,0,0,3.86180732,2.304530453,2.190270029,1.276142375,0.23570226,0,0,0,0.772361464,0.460906091,0.312895718,0.255228475,0.23570226,0,0,0,7.709139019,14.43918427,13.62745098,13.8,8.992772455,115.1412754,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.6623,22.945,9.772386304,15.00845428,19.54477261,3.908954521,9.772493789,4.44E-16,8.88E-17,-17.6752531,2000006.919,400001.3839,7.254330599,22,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,4.592592593,0,1.472222222,0,0,0,2.101851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.296296296,0,1.472222222,0,0,0,1.050925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.296296296,0,1.472222222,0,0,0,1.050925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.166666667,1.633333333,0.2,2.296296296,0.2,1.050925926,3.586898148,0.282407407,0.296296296,1.185185185,0.282407407,0.296296296,1.185185185,2.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.4,0.4,0,2.5,0.5,2.5,0.5,0,0,-2.5,-0.5,0,0,3.9223,0.78446,3.9223,0,0,2.30452,0.4609,2.30452,0,0,0.10948,0.0219,0.19548,0.0391,0.2,5,0,0,0,0,0,0,1,0.918295834,1.425605199,2.339572262,2.339572262,2.339572262,1.691527476,13.77443751,21.38407799,35.09358393,35.09358393,35.09358393,25.37291214,0.235045188,0.364895091,0.598832295,0.598832295,0.598832295,0.432960032,2.988594762,2.481285397,1.567318334,1.567318334,1.567318334,2.215363119,0.235045188,0.364895091,0.598832295,0.598832295,0.598832295,0.432960032,6.73287657,12.82058895,13.74170783,13.74170783,13.74170783,5.965170405,19.74937501,14.76455615,15.58777522,15.58777522,15.58777522,9.373994032,3.2,0.734693878,0.444444444,0,0,0,2.01,0.7045,0.333333333,1,2.828427125,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,2.169,7,5,1,0,0,0,0,0,0,23,1.791759469,2.079441542,1.791759469,0.693147181,0,0,0,0,0,0,3.17805383,1,0.333333333,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,0,2,3,0.5,1.5,1.222222222,0,0,0,0,0,0,0,0,0.3,0.305555556,0,0,0,0,0,0,0,0,0.605555556,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,0,82.67992313,3.321928095,3.218875825,4.007333185,4.844187086,5.666426688,6.502790046,7.333676396,8.168769824,9.001962273,9.836439218,68.58046054,2.397895273,1.945910149,3.663561646,3.931825633,5.153291594,5.733341277,6.741700695,7.458762692,8.373553741,8.9226583,70.07825032,4.671883355,9.115918943,1.823183789,0,0,0,16,1,2.723,24,1.222391529,2.127474007,2.933843667,3.567674987,4.661122714,0,0,0,0,0,79.23825166,69.97511254,40.99353824,15.37617334,4.735998989,0,0,0,0,0,290.8117196,320.1538369,290.9267516,199.5287805,144.8851472,0,0,0,0,0,8.906727723,15.11237731,20.53118454,24.39222336,31.31558515,0,0,0,0,0,2.178076375,2.68016243,2.801233949,2.294982078,2.07239531,0,0,0,0,0,174.3383021,330.9223839,478.1127429,626.0384598,861.923868,0,0,0,0,0,2.388383279,3.37593573,4.405581826,4.627197283,4.661122714,0,0,0,0,0,0.450622235,0.566314343,0.605524405,0.511120187,0.477298966,0,0,0,0,0,258.5403781,65.29772049,6.421420651,74.18736879,-18.73698069,-3.909726339,184.3530093,84.03470118,10.33114699,0.777032816,0.1962497,0.019299324,0.222967184,-0.05631325,-0.011750527,86.0235575,21.72636342,2.136584825,24.68419607,-6.234313368,-1.300874436,0.118309378,0.245800883,2.130438058,6.933905347,332.7277469,0,1,0,337.1021736,18.36034242,6.95964655,435.9231885,20.87877363,7.582341206,437.4125349,20.91440974,7.5909665,1.3744682,1.149180924,159.8669389,137.9465698,48.69800709,1.158904778,3.282823024,2.832694355,3.030342609,3.271137252,5.404942442,0.65231295,3.582622559,3.981515384,1.952535141,8.853428551,4.464474872,8.15163587,2.07117138,3.759909592,1.397979348,0.405111098,4.19E-16,8.35E-53,3.21E-111,2.38E-191,3.40E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300664723,3.980831391,0.138722924,3.789048242,0.057626768,0.258707544,0.046421986,0.166889694,0.009846083,0.002853231,2.95E-18,5.88E-55,2.26E-113,1.68E-193,2.40E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.970582286,3.980877351,0.464379852,4.326311874,0.394936654,1.115136174,0.211916495,0.636692279,0.102603775,0.029732863,3.07E-17,6.13E-54,2.36E-112,1.75E-192,2.50E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.381703452,3.981440377,1.825723642,8.367751098,3.995795353,7.401453436,1.859554238,3.446691223,1.24557443,0.360946695,3.73E-16,7.44E-53,2.86E-111,2.12E-191,3.03E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.430459692,3.98093671,0.701170091,4.842542998,0.793424595,1.927129568,0.399100238,1.037468106,0.222869109,0.064583751,6.68E-17,1.33E-53,5.12E-112,3.79E-192,5.43E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.326535577,3.981830719,2.439968076,10.85109926,6.425615005,11.23236293,2.954229652,5.025501715,2.038821494,0.590816464,6.11E-16,1.22E-52,4.68E-111,3.47E-191,4.96E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.268380059,3.443103566,0.957852987,6.131332521,1.718159286,3.793376457,0.881509036,2.093967911,0.524023912,0.15185339,1.57E-16,3.13E-53,1.20E-111,8.92E-192,1.28E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.576984371,0.932254957,0.589632537,0.628705765,0.22744184,0.530375559,0.374789979,0.430913273,4.098871865,4.471568142,9.986977019,0.443058647,1.336078812,1.777271089,0.505333729,0.190986447,0.718498288,0.204291524,0.25143584,0.110130722,0.046823215,2.473591265,1.334061611,3.979180673,0.577747432,0.408389776,2.093919083,0.674889894,0.350290988,0.671321569,0.216373281,0.349255648,0.196426046,0.155617264,3.119099965,2.383053658,5.997172526,0.506982354,0.701298958,2.557099226,0.921685299,0.579849971,0.630039297,0.227092462,0.522154787,0.366339882,0.417143554,4.058634497,4.374013873,9.79926242,0.445058946,1.305638223,2.23551371,0.750469432,0.420846619,0.656185917,0.220283808,0.398338022,0.242880877,0.223183463,3.406829761,2.934325614,7.047203311,0.484278875,0.864402361,2.639261713,0.965345817,0.620236792,0.624700347,0.228492636,0.556548368,0.401868136,0.475337303,4.224844323,4.783510467,10.58859425,0.43705052,1.433753807,2.572882982,0.922915686,0.580543859,0.631174384,0.226407786,0.528660011,0.367318617,0.417902829,4.076342527,4.404018512,9.858893818,0.446761575,1.313881457 +UMLRON0272,L,"cis-1,2-dimethylcyclopropane",C[C@@H]1C[C@@H]1C,252321,Sandia values from independent api report ,Sandia,,C5H10,PubChem,,100.4,0,-0.3196,0.10214416,23.4283,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,1010.869782,994.788989,683.148315,331.036441,76.792464,6.096384,0,0,2914.106344,3917.940807,4859.37628,4072.221305,2558.253186,1071.022993,186.5024666,0,0,125.864664,130.65468,241.319732,292.225836,221.401252,143.083584,40.310784,0,0,22.06875486,30.09593172,41.55476515,38.41629999,25.93693972,12.68152803,2.667677429,0,0,2979.777961,2598.236709,5297.091394,6988.064515,5414.110108,3724.295171,1109.505912,0,0,26.77777778,32.83333333,51.41666667,56.41666667,43,24.5,6,0,0,48.76541633,56.15943233,29.25849968,16.26543607,10.34488878,3.656784,1.016064,0,0,161.8947969,217.6633782,142.9228318,96.95765012,79.94541207,51.00109489,31.08374443,0,0,6.992481333,7.258593333,7.097639176,6.957758,6.918789125,6.813504,6.718464,0,0,1.226041937,1.671996207,1.222198975,0.914673809,0.810529366,0.603882287,0.444612905,0,0,165.54322,144.3464838,155.7968057,166.3824885,169.1909409,177.3473891,184.917652,0,0,1.487654321,1.824074074,1.512254902,1.343253968,1.34375,1.166666667,1,0,0,0.024502509,-0.001664549,-0.012035411,-0.001427524,-0.003847163,0.003090493,0.003632899,0,0,484.264036,4.90E-13,-228.6802392,-80.71067267,-94.16245144,80.71067267,80.71067267,0,0,900.5096538,2.98E-13,-425.2406698,-150.0849423,-175.0990993,150.0849423,150.0849423,0,0,0.094864,1.36E-15,-0.044796889,-0.015810667,-0.018445778,0.015810667,0.015810667,0,0,4.025697139,3.16E-15,-1.901023649,-0.670949523,-0.782774444,0.670949523,0.670949523,0,0,21.86765075,6.53E-14,-10.32639063,-3.644608459,-4.252043202,3.644608459,3.644608459,0,0,1.49382716,-0.351851852,-0.577846365,0.252057613,-0.347050754,0.072016461,0.205761317,0,0,0.00136125,-9.25E-05,-3.54E-04,-3.40E-05,-1.20E-04,1.47E-04,6.05E-04,0,0,26.90355756,2.72E-14,-6.725889389,-1.921682683,-2.942576608,3.843365365,13.45177878,0,0,50.0283141,1.66E-14,-12.50707852,-3.573451007,-5.471846854,7.146902014,25.01415705,0,0,0.005270222,7.55E-17,-0.001317556,-3.76E-04,-5.76E-04,7.53E-04,0.002635111,0,0,0.223649841,1.76E-16,-0.05591246,-0.015974989,-0.024461701,0.031949977,0.111824921,0,0,1.214869486,3.63E-15,-0.303717372,-0.086776392,-0.13287635,0.173552784,0.607434743,0,0,0.082990398,-0.019547325,-0.016995481,0.006001372,-0.010845336,0.003429355,0.034293553,0,0,-0.067933829,-0.260042268,-0.024968705,-0.088318674,0.10811115,0.444799184,0,0,1.01E-15,-0.25,-0.071428571,-0.109375,0.142857143,0.5,0,0,3.31E-16,-0.25,-0.071428571,-0.109375,0.142857143,0.5,0,0,1.43E-14,-0.25,-0.071428571,-0.109375,0.142857143,0.5,0,0,7.86E-16,-0.25,-0.071428571,-0.109375,0.142857143,0.5,0,0,2.99E-15,-0.25,-0.071428571,-0.109375,0.142857143,0.5,0,0,-0.23553719,-0.204788527,0.07231405,-0.130681818,0.041322314,0.41322314,0,0,1.484849327,1.323889801,0.90558118,0.983166393,0.559018976,0.004221038,0,0,1.416666667,1.375,0.961309524,0.9296875,0.505952381,0,0,0,1.416666667,1.375,0.961309524,0.9296875,0.505952381,0,0,0,1.416666667,1.375,0.961309524,0.9296875,0.505952381,0,0,0,1.416666667,1.375,0.961309524,0.9296875,0.505952381,0,0,0,1.416666667,1.375,0.961309524,0.9296875,0.505952381,0,0,0,1.72107438,1.111053719,0.718786895,1.200251808,0.74512987,0,0,0,19.94251632,9.971258159,15.55420338,19.94251632,3.32375272,9.97139041,1.24E-14,0.094108588,0.015684765,-1.417983583,78.21676672,13.03612779,2.61569042,19.94251632,9.971258159,15.55420338,19.94251632,3.32375272,9.97139041,1.24E-14,0.094108588,0.015684765,-1.417983583,78.21676672,13.03612779,2.61569042,19.94251632,9.971258159,15.55420338,19.94251632,3.32375272,9.97139041,1.24E-14,0.094108588,0.015684765,-1.417983583,78.21676672,13.03612779,2.61569042,19.94251632,9.971258159,15.55420338,19.94251632,3.32375272,9.97139041,1.24E-14,0.094108588,0.015684765,-1.417983583,78.21676672,13.03612779,2.61569042,19.94251632,9.971258159,15.55420338,19.94251632,3.32375272,9.97139041,1.24E-14,0.094108588,0.015684765,-1.417983583,78.21676672,13.03612779,2.61569042,19.94251632,9.971258159,15.55420338,19.94251632,3.32375272,9.97139041,1.24E-14,0.094108588,0.015684765,-1.417983583,78.21676672,13.03612779,2.61569042,22.22801175,11.05927281,17.35765536,22.19714755,3.699524592,11.05931691,-0.092592593,0.050432742,0.008405457,-1.792268807,33.19193019,5.531988364,2.101384068,0,11.9,12.1000824,-0.151150994,0.048945128,5.211620956,7.351754728,6,18,18,18,6,0,0,0,0,0,13.118484,3.66123709,2.947397233,2.028500884,2.028500884,1.453447379,0.86218685,0.083923071,0.083923071,2.013477319,1.571604744,0.944577813,0.944577813,0.664468809,0.339025397,0.083923071,0.083923071,3.684870543,2.991651137,2.095899225,2.095899225,1.554100302,0.996786096,0.270913902,0.270913902,1.96147511,1.485565036,0.824985323,0.824985323,0.520877953,0.175834373,0.270913902,0.270913902,3.788818317,3.183551516,2.386450742,2.386450742,1.962836792,1.516549614,0.943918427,0.943918427,1.809598475,1.221144991,0.442532316,0.442532316,0.037609723,0.392270658,0.943918427,0.943918427,3.702278805,3.024144174,2.145396886,2.145396886,1.626528939,1.091874627,0.399277246,0.399277246,1.928470285,1.429747571,0.746119641,0.746119641,0.424479662,0.065020044,0.399277246,0.399277246,3.839542072,3.274760456,2.521841838,2.521841838,2.141425708,1.732680308,1.207644823,1.207644823,1.762463114,1.135454037,0.314197015,0.314197015,0.135307452,0.604780447,1.207644823,1.207644823,3.698294313,3.173542061,2.259021986,2.226887655,1.764130022,1.255987971,0.642857143,0.642857143,1.913026081,1.270200488,0.619744798,0.591473257,0.251738369,0.125461841,0.642857143,0.642857143,0,0,0,0,0,1,4,1,0,0,0.204124145,0.144337567,0.144337567,0,0,0.204124145,0.144337567,0.144337567,0,0.204124145,0,0,0,0.204124145,0,0,0,0.49279928,0.288675135,0,0.49279928,0.288675135,0,4.405777394,2.931851653,2.205177354,1.802095141,0.696923425,0.288675135,0,0,0.734296232,0.488641942,0.315025336,0.225261893,0.174230856,0.144337567,0,0,4.405777394,2.931851653,2.205177354,1.802095141,0.696923425,0.288675135,0,0,0.734296232,0.488641942,0.315025336,0.225261893,0.174230856,0.144337567,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.1965,27.632,15.29995938,23.2522502,30.59991877,5.099986461,15.29995982,0.105194527,0.017532421,-1.351166405,19.93220677,3.322034461,1.795402112,36,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,1,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,2.281574074,0,5.936018519,0,0,0,1.115740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.281574074,0,1.416666667,0,0,0,1.115740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.281574074,0,1.510416667,0,0,0,1.115740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.333333333,1.555555556,0.2,2.281574074,0.2,1.115740741,4.320990741,0.217592593,0.281574074,0.604814815,0.217592593,0.281574074,0.604814815,3,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.16667,0.16667,0,3,0.5,3,0.5,0,0,-3,-0.5,0,0,4.98949,0.83158,4.98949,0,0,2.93185,0.48864,2.93185,0,0,-0.01785,-0.00297,0.06815,0.01136,0.222222222,6,0,0,0,0,0,0,1,0.918295834,1.335505557,2.350209029,2.905764585,3.016875696,2.626615808,16.52932501,24.03910002,42.30376252,52.30376252,54.30376252,47.27908455,0.220218789,0.320270882,0.563609424,0.696838572,0.723484402,0.629895216,3.251629167,2.834419445,1.819715972,1.264160417,1.153049306,1.543309193,0.220218789,0.320270882,0.563609424,0.696838572,0.723484402,0.629895216,6.73287657,11.73939324,15.20474235,16.98599792,15.8766257,14.15819006,23.69925001,19.03258335,16.91696043,15.16825487,16.09490487,13.82806654,4.166666667,1.632653061,0.75,2,0,2,2.12,0.8454,0,1.632993162,0.5,0,3.532775529,3.363585661,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,2.896,7,8,4,2,0,0,0,0,0,33,1.945910149,2.079441542,2.197224577,1.609437912,1.098612289,0,0,0,0,0,3.526360525,1,0.5,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,2,0.333333333,0,2,4,1,1,0.333333333,0.3125,0.111111111,0,0,0,0,0,0,0.166666667,0.066666667,0.104166667,0.111111111,0,0,0,0,0,0,0.448611111,9.971258159,15.55420338,19.94251632,3.32375272,9.97139041,0.094108588,0.015684765,-1.417983583,78.21676672,13.03612779,2.61569042,0,99.97590776,3.584962501,3.295836866,4.043051268,4.812184355,5.579729826,6.357842267,7.13009851,7.910223707,8.683554729,9.464129513,69.27665104,2.564949357,0,3.891820298,0,5.379897354,0,6.91671502,0,8.466531277,8.706655856,84.09390038,4.671883355,11.41204485,1.902007474,0,0,0,29,3,3.353,26,1.311437455,2.28660093,3.085309973,3.913654151,4.477230103,5.340505273,0,0,0,0,91.13285325,75.74431626,56.84036814,43.27316903,17.3404036,5.42629515,0,0,0,0,326.3009562,352.9845158,321.6584918,323.2521833,235.645732,166.0029011,0,0,0,0,9.575135187,16.29251979,21.53198799,27.11099138,30.54046876,35.87999242,0,0,0,0,2.414353997,2.957264633,2.970136134,3.242800035,2.76211126,2.374457563,0,0,0,0,185.8183859,351.6559959,508.4483739,659.6206869,791.249661,987.5536958,0,0,0,0,2.463505475,3.539899787,4.252426589,5.312508906,5.297038921,5.340505273,0,0,0,0,0.498388569,0.624592517,0.638956066,0.706825428,0.617162111,0.54686774,0,0,0,0,325.2383537,101.1004634,8.457590923,92.61627855,-28.7898047,-4.730991201,232.6220751,129.8902681,13.18858212,0.778352873,0.241951281,0.02024051,0.221647127,-0.068899092,-0.011322098,135.9023526,42.24529696,3.534043545,38.70014101,-12.02995325,-1.976866588,0.096099355,0.208877675,2.302365489,2.285984574,417.8546322,0,1,0,308.2044227,17.55575184,6.754807167,424.4488557,20.60215658,7.515221564,452.7412338,21.27771684,7.678623081,1.205365809,1.007047119,286.1781267,245.0486313,82.12876377,1.167842176,3.484505471,2.983712649,3.659892402,3.591328156,6.128151094,0.706374585,3.346806641,2.565447546,2.882931568,7.627683963,11.59988296,5.724730831,7.682143585,4.81719913,2.200551245,0.309570577,0.765839969,9.88E-07,9.74E-34,1.85E-82,6.78E-153,4.79E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.28087429,2.565218051,2.048424456,1.600722379,2.635838865,0.236958258,1.467956393,0.542262293,0.12838923,0.011529007,0.005393874,6.96E-09,6.86E-36,1.30E-84,4.77E-155,3.37E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.906696446,2.565233859,2.175519479,2.15819677,3.689264569,0.92536493,2.230880442,0.952194302,0.451545713,0.046739286,0.056208321,7.25E-08,7.15E-35,1.36E-83,4.97E-154,3.52E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.15911246,2.565422516,2.816544756,7.020718567,10.7764719,5.236029277,7.122877839,4.391811918,2.03838339,0.282258928,0.682349624,8.81E-07,8.67E-34,1.65E-82,6.04E-153,4.27E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336303737,2.565253926,2.275606763,2.74064093,4.642915789,1.526134408,2.904704436,1.370977185,0.703019932,0.078519036,0.122091984,1.58E-07,1.55E-34,2.95E-83,1.08E-153,7.64E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041753714,2.565552685,3.14610279,10.14523376,14.96043513,7.707602119,9.955909645,6.578061313,2.841079465,0.420986803,1.116905619,1.44E-06,1.42E-33,2.70E-82,9.89E-153,6.99E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.228358503,2.581340828,2.152510495,4.243034371,6.993591533,3.003510284,4.811970058,2.554847934,1.391579074,0.153061597,0.316495089,4.08E-07,4.02E-34,7.64E-83,2.80E-153,1.98E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.447399064,1.22338069,0.694789013,0.642503938,0.22800578,0.585361726,0.544504861,0.396973797,5.365568767,7.462687899,15.75851644,0.463755908,1.526840384,2.67372779,0.735800098,0.245981752,0.731424084,0.20128523,0.353126306,0.196505236,0.049618167,3.65550964,2.806010814,6.945447531,0.597136126,0.599249709,2.980737361,0.929656404,0.424295853,0.687647242,0.214468967,0.438269405,0.314189243,0.147845077,4.334689619,4.430225437,9.940664993,0.531470863,0.900303725,3.428220156,1.211328622,0.683683743,0.644010973,0.227555084,0.5788958,0.533828804,0.384370308,5.323232521,7.324685272,15.48705209,0.46601646,1.497094912,3.117704261,1.015973723,0.503750107,0.672291667,0.219081289,0.479229156,0.375392607,0.208503846,4.63742809,5.249846329,11.4829057,0.5084375,1.063125608,3.507450192,1.261107151,0.729554906,0.637937174,0.229370936,0.605840663,0.578599303,0.437744133,5.498112249,7.902194924,16.62732588,0.456905761,1.622184099,3.439737482,1.213337606,0.685574083,0.644308583,0.227274272,0.582704838,0.535684146,0.386570977,5.338649171,7.36359053,15.56352622,0.466462874,1.504959961 +UMLRON0273,L,ethylcyclobutane,CCC1CCC1,252322,Sandia values from independent api report ,Sandia,,C6H12,PubChem,,41.1,0,0.525,0.275625,35.3367,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1912.866323,1536.635695,716.597618,178.815168,18.289152,0,0,3885.475125,5223.921076,7983.759134,8343.0636,5761.955305,2402.602963,559.5073998,0,0,167.819552,174.20624,341.907212,472.656508,511.583816,307.120896,120.932352,0,0,29.42500648,40.12790896,64.52079401,74.29419331,58.99573411,28.03475758,8.003032287,0,0,3973.037281,3464.315612,7410.01833,10647.22523,12550.21632,7939.753089,3328.517736,0,0,37.83333333,45.77777778,75.47222222,104.3333333,101,57,18,0,0,48.76541633,56.15943233,39.85138173,22.93486112,9.683751595,3.9736704,1.016064,0,0,161.8947969,217.6633782,166.3283153,124.5233373,77.86426087,53.39117695,31.08374443,0,0,6.992481333,7.258593333,7.123066917,7.054574746,6.913294811,6.8249088,6.718464,0,0,1.226041937,1.671996207,1.344183209,1.108868557,0.79723965,0.622994613,0.444612905,0,0,165.54322,144.3464838,154.3753819,158.9138094,169.5975178,176.4389575,184.917652,0,0,1.576388889,1.907407407,1.572337963,1.55721393,1.364864865,1.266666667,1,0,0,0.031613547,-0.004458916,0.001436243,-0.019530593,-0.006205393,0.003291683,0.009660203,0,0,645.6853813,5.19E-13,40.35533633,-511.1675936,-215.2284604,121.066009,242.132018,0,0,1200.679538,-5.68E-14,75.04247115,-950.5379679,-400.2265128,225.1274134,450.2548269,0,0,0.126485333,2.94E-15,0.007905333,-0.100134222,-0.042161778,0.023716,0.047432,0,0,5.367596186,1.20E-14,0.335474762,-4.24934698,-1.789198729,1.006424285,2.01284857,0,0,29.15686767,-1.15E-13,1.822304229,-23.08252024,-9.718955891,5.466912688,10.93382538,0,0,2.791666667,-1.347222222,0.555555556,-0.842013889,0.003472222,-0.546875,0.78125,0,0,0.001317231,-1.86E-04,2.99E-05,-2.92E-04,-8.39E-05,7.31E-05,5.37E-04,0,0,26.90355756,2.16E-14,0.840736174,-7.629367068,-2.908492709,2.690355756,13.45177878,0,0,50.0283141,-2.37E-15,1.563384816,-14.18713385,-5.408466389,5.00283141,25.01415705,0,0,0.005270222,1.22E-16,1.65E-04,-0.001494541,-5.70E-04,5.27E-04,0.002635111,0,0,0.223649841,5.02E-16,0.006989058,-0.063423089,-0.024178361,0.022364984,0.111824921,0,0,1.214869486,-4.81E-15,0.037964671,-0.344515227,-0.131337242,0.121486949,0.607434743,0,0,0.116319444,-0.056134259,0.011574074,-0.012567371,4.69E-05,-0.012152778,0.043402778,0,0,-0.141044462,0.022715624,-0.221298593,-0.063661312,0.055532024,0.407428825,0,0,8.03E-16,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,-4.73E-17,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,2.32E-14,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,2.24E-15,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,-3.96E-15,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,-0.482587065,0.099502488,-0.10804188,4.03E-04,-0.104477612,0.373134328,0,0,1.579552337,1.033206363,1.301947932,0.935283409,0.71234121,1.65E-08,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,2.021558872,0.691334992,1.127199822,0.9370714,1.098507463,0,0,0,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,-7.11E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,-7.11E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,-7.11E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,-7.11E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,-7.11E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,-7.11E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,37.20496431,18.47227382,26.04610392,37.00965181,4.626206476,18.47227385,-0.260416667,0.005144078,6.43E-04,-4.215927241,28.64086191,3.580107739,2.683867549,0,11.89,12.11011416,-0.161880726,0.059276977,5.973360367,8.397172559,8,24,24,24,8,0,0,0,0,0,17.491312,3.709959766,2.974675559,2.789753075,2.259537733,2.158317772,1.617870431,0.918016251,0.809020034,1.845648904,1.813613019,1.410733491,1.157249124,1.096183233,0.563489532,0.402453794,0.276394959,3.731262013,3.013413722,2.836186318,2.330024954,2.225457131,1.699767002,1.045547554,0.94155887,1.787821245,1.752615835,1.310905386,1.043257925,0.981528758,0.42111061,0.249176885,0.109489703,3.825638152,3.185923174,3.040102369,2.62464957,2.50910004,2.040789505,1.545899363,1.459674177,1.621444011,1.575108587,0.997363948,0.673418052,0.610271012,0.054593717,0.26888121,0.473701747,3.746988301,3.042112654,2.870443191,2.38119944,2.2743801,1.759183913,1.136224802,1.035689916,1.751312057,1.713926185,1.245574763,0.967752621,0.905628807,0.325740607,0.146064012,0.003994699,3.872123288,3.270309035,3.138028166,2.758192334,2.639170421,2.194280813,1.75665822,1.676939727,1.570816098,1.5204722,0.893609066,0.546446869,0.483241901,0.222854153,0.454365585,0.692822975,3.713827145,3.143134573,3.000480537,2.547995964,2.352058575,1.828505304,1.260306994,1.164918264,1.742149051,1.699539474,1.059598102,0.791295033,0.753238401,0.201557105,0.011910874,0.171137606,0,0,0,0,0,3,2,3,0,0,0,0.096225045,0.288675135,0.288675135,0,0,0.096225045,0.288675135,0.288675135,0.760079655,0,0.166666667,0,0.760079655,0,0.166666667,0,1.410236714,1.743689791,1.619316155,1.410236714,1.743689791,1.619316155,6.14626437,3.698377303,3.531144005,2.519712423,1.830194132,0.849515796,0.096225045,0,0.768283046,0.462297163,0.321013091,0.209976035,0.140784164,0.106189475,0.096225045,0,6.14626437,3.698377303,3.531144005,2.519712423,1.830194132,0.849515796,0.096225045,0,0.768283046,0.462297163,0.321013091,0.209976035,0.140784164,0.106189475,0.096225045,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.6885,36.726,27.25514403,36.68482962,54.51028806,6.813786007,27.25514403,7.44E-17,9.30E-18,-29.70985711,3000014.366,375001.7957,11.93130211,51,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,7.099537037,0,2.918981481,0,0,0,2.981481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.361111111,0,1.459490741,0,0,0,0.990740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.369212963,0,1.459490741,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13,1.625,0.2,2.369212963,0.2,0.990740741,5.741078704,0.342592593,0.369212963,2.199074074,0.342592593,0.369212963,2.199074074,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.375,0.375,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.75603,1.0945,8.75603,0,0,3.69836,0.46229,3.69836,0,0,0.21564,0.02696,0.30164,0.03771,0.208333333,8,0,0,0,0,0,0,1,0.918295834,1.438721876,2.5,2.729573959,2.677694271,2.344360938,22.03910002,34.52932501,60,65.509775,64.26466251,56.26466251,0.200284263,0.313791416,0.54526073,0.595331796,0.584016613,0.511315182,3.666666667,3.146240625,2.084962501,1.855388542,1.90726823,2.240601563,0.200284263,0.313791416,0.54526073,0.595331796,0.584016613,0.511315182,6.73287657,12.97798907,15.30933029,16.80245923,12.3946273,16.41423191,31.59900002,23.32456251,22.69022552,20.3349625,26.92932344,20.36340886,6.125,2.082644628,1.25,0,0,0,2.34,1.1272,0.825481812,2.620741394,4.734706513,0,0.5,4.762203156,0,1.889881575,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.124,0.16,0.203,3.438,11,12,13,8,1,0,0,0,0,61,2.197224577,2.48490665,2.564949357,2.63905733,2.197224577,0.693147181,0,0,0,0,4.127134385,1,0.25,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.375,0,3,4,0.333333333,2.5,1.111111111,0.916666667,0,0,0,0,0,0,0,0.3125,0.101010101,0.130952381,0,0,0,0,0,0,0,0.544462482,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,0,134.567877,4,3.663561646,4.442651256,5.283203729,6.084499413,6.922643891,7.732369222,8.566554621,9.380842352,10.21181748,78.28814361,2.833213344,0,4.110873864,2.397895273,5.549076085,4.727387819,7.053585727,6.741700695,8.593598523,8.969669104,112.1252005,4.671883355,15.32137541,1.915171927,0,0,0,59,7,4.369,38,1.331436567,2.358361545,3.279285159,3.986659752,4.975326236,5.674044563,0,0,0,0,94.01800751,110.9254429,86.02028999,44.41374562,20.78559136,5.765192415,0,0,0,0,334.770918,438.8792018,438.9113632,336.42671,273.296201,176.3705511,0,0,0,0,9.725938808,16.89728046,23.20197353,27.65788376,33.9926881,38.12086413,0,0,0,0,2.47012952,3.449198026,3.821889122,3.365765379,3.160836173,2.522753436,0,0,0,0,188.3541604,357.0938094,516.2513494,668.5971086,874.930815,1049.230998,0,0,0,0,2.584740423,3.878764456,5.250351723,5.651424724,6.393621019,5.674044563,0,0,0,0,0.509638069,0.720744621,0.812832577,0.733010447,0.704630769,0.581022163,0,0,0,0,327.3620703,132.7306996,8.143004937,54.06023186,-21.91900971,-2.960671572,273.3018384,154.6497094,11.10367651,0.858266725,0.347988827,0.021349053,0.141733275,-0.057466513,-0.007762188,124.8631945,50.62644902,3.105923689,20.61977809,-8.360399145,-1.129266167,0.07369617,0.153662443,1.033616691,1.333763547,381.4223021,0,1,0,402.4237007,20.06050101,7.38291469,557.416278,23.60966493,8.229874559,678.7063059,26.05199236,8.788079184,1.143840019,1.143840019,504.8039812,343.0230298,256.6607766,1.471632915,1.966813893,1.336484033,4.45556251,4.525938565,6.633864241,0.465743325,4.462408855,4.441365945,2.849731313,11.09929336,14.6170238,7.588478565,10.59855789,9.921360101,12.05420857,8.860624961,2.481297131,2.229090216,1.51E-06,2.63E-33,8.84E-82,5.74E-152,7.18E-244,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,4.441098491,0.752244398,3.948087292,2.095911545,2.513329025,1.226624194,0.550878334,1.693386836,0.378604623,0.075491602,0.015699665,1.06E-08,1.85E-35,6.23E-84,4.04E-154,5.06E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,4.441116993,1.028349705,4.991303778,3.680015242,3.221241277,2.525877129,1.839978855,2.905278833,1.462694883,0.331166529,0.163602611,1.11E-07,1.93E-34,6.49E-83,4.21E-153,5.27E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,4.441336804,2.667539193,10.51415876,13.50672713,7.161733995,9.807687386,9.127091742,11.10048469,8.112378744,2.250738268,1.986079251,1.34E-06,2.34E-33,7.88E-82,5.11E-152,6.39E-244,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,4.44114041,1.263030123,5.831105812,5.055977221,3.80460092,3.600011152,2.910070028,4.005315954,2.399076996,0.576574861,0.355366732,2.40E-07,4.19E-34,1.41E-82,9.14E-153,1.14E-244,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,4.441488339,3.585376092,13.43308019,19.11826983,9.300284906,13.77332729,13.11266917,15.94812098,11.89103693,3.429507799,3.250918587,2.20E-06,3.83E-33,1.29E-81,8.36E-152,1.05E-243,0,0,0,0,0,0,0,0,0,0,0,0,0,2.957336046,4.08214556,1.451100383,7.019885068,8.005752679,4.53344874,6.120048225,4.914519393,7.596967988,4.826370668,1.225438266,0.844152509,5.71E-07,9.95E-34,3.35E-82,2.17E-152,2.72E-244,0,0,0,0,0,0,0,0,0,0,0,0,0,3.473493917,2.581151968,0.919927354,0.498022431,0.370080273,0.56703395,0.537406891,0.426973145,6.974573239,14.53545003,29.75773835,0.302154055,1.531413986,2.636070169,1.867089519,0.423791417,0.535030714,0.378954343,0.326746537,0.286568651,0.092758987,4.926951105,6.83017941,13.8429382,0.370977586,0.706074175,2.968627301,2.149679155,0.621893697,0.517164423,0.374495505,0.414289512,0.376449222,0.198181373,5.740200153,9.564638754,19.27351338,0.337489892,0.988920107,3.452757854,2.563379572,0.907742458,0.498673852,0.370222998,0.560289144,0.530206608,0.416022367,6.923879884,14.31183233,29.26989466,0.303345276,1.506518119,3.116879717,2.276096715,0.709722295,0.51073793,0.372965604,0.456660903,0.420625557,0.25702138,6.102698727,10.9218353,22.05953087,0.325555301,1.134307841,3.538414099,2.636819068,0.958047431,0.496043027,0.369650266,0.58841155,0.560278564,0.462091132,7.133280598,15.24632404,31.31833832,0.298539939,1.610781247,3.468068839,2.57287782,0.909423127,0.498976162,0.370178552,0.5651127,0.53377728,0.416865722,6.950369786,14.416694,29.48177122,0.30373207,1.515755701 +UMLRON0274,L,"l,cis-2,trans-4-trimetmyl-cyclopentane",C[C@@H]1C[C@H](C[C@@H]1C)C,252323,Sandia values from independent api report ,Sandia,,C8H16,UML,"1,cis-2,trans-4-trimethyl-cyclopentane",89.2,0,2.1151,4.47364801,45.7868,22.50793,0,0,19,9,10,0,9,0,0,0,0,0,0,0,0,0,1308.537729,1419.447969,1651.509898,1392.276152,924.178589,608.387979,274.479577,55.5408,3.048192,4122.48956,4959.018279,6278.942729,5816.80088,4233.124071,3063.365801,1850.636765,676.5326765,93.25123329,135.049284,139.040964,216.560296,249.306848,212.050868,162.57918,139.183012,75.499776,20.155392,29.54622905,36.2355431,48.15309198,47.02544513,35.7627251,26.62399777,17.92585924,7.566467574,1.333838715,2990.325725,2672.374682,4425.779828,5403.024471,4748.191412,3633.604648,3322.278701,1906.913755,554.7529561,44.77777778,54,74,75.66666667,59.66666667,46,33,15,3,68.87040679,74.70778784,55.05032993,39.77931863,30.80595297,26.45165126,13.72397885,5.049163636,1.016064,216.9731347,261.0009621,209.298091,166.1943109,141.1041357,133.1898174,92.53183827,61.50297059,31.08374443,7.107857053,7.317945474,7.218676533,7.1230528,7.068362267,7.06866,6.9591506,6.863616,6.718464,1.555064687,1.907133847,1.605103066,1.343584147,1.192090837,1.15756512,0.896292962,0.687860689,0.444612905,157.3855645,140.651299,147.5259943,154.3721278,158.2730471,157.9828108,166.1139351,173.3557959,184.917652,2.356725146,2.842105263,2.466666667,2.161904762,1.988888889,2,1.65,1.363636364,1,0.059541121,-0.002941259,-0.022583921,-0.005582548,-0.002376537,-0.006324647,-6.83E-04,0.005685963,0.005035755,573.4705689,3.91E-13,-96.24915397,-87.86508132,-70.76157313,-158.9620174,-23.81076631,69.4201215,81.49318611,1066.393011,-2.84E-14,-178.9794118,-163.3888707,-131.5841669,-295.5966592,-44.27713672,129.0896803,151.5400595,0.112338947,9.37E-16,-0.018854548,-0.017212166,-0.013861706,-0.031139568,-0.004664366,0.013598925,0.015963956,4.767272928,8.22E-15,-0.800121246,-0.730424273,-0.588242449,-1.321454601,-0.197939402,0.577090933,0.677454574,25.89590221,5.55E-14,-4.346271306,-3.967676245,-3.195342319,-7.178162367,-1.075209975,3.134767109,3.679943998,4.49122807,-0.362573099,-0.72299169,-0.58910434,-0.009541397,-1.337334564,-0.312403817,0.464142813,0.624192059,0.003133743,-1.55E-04,-7.53E-04,-1.60E-04,-7.92E-05,-2.75E-04,-3.42E-05,5.17E-04,0.001678585,30.18266152,2.06E-14,-3.208305132,-2.510430895,-2.358719104,-6.911392059,-1.190538316,6.310920137,27.16439537,56.12594795,-1.50E-15,-5.965980393,-4.668253448,-4.386138895,-12.85202866,-2.213856836,11.73542548,50.51335315,0.005912576,4.93E-17,-6.28E-04,-4.92E-04,-4.62E-04,-0.001353894,-2.33E-04,0.001236266,0.005321319,0.250909101,4.32E-16,-0.026670708,-0.020869265,-0.019608082,-0.057454548,-0.00989697,0.052462812,0.225818191,1.362942221,2.92E-15,-0.14487571,-0.113362178,-0.106511411,-0.312094016,-0.053760499,0.284978828,1.226647999,0.236380425,-0.019082795,-0.024099723,-0.016831553,-3.18E-04,-0.058144981,-0.015620191,0.042194801,0.20806402,-0.049398784,-0.240223054,-0.050898032,-0.025279001,-0.087749587,-0.010903352,0.164948331,0.535648525,6.81E-16,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,-2.67E-17,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,8.34E-15,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,1.72E-15,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,2.14E-15,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,-0.080729167,-0.101953125,-0.071205357,-0.001345486,-0.245980525,-0.066080729,0.178503788,0.880208333,1.031178003,1.173701408,1.012748308,1.043998422,1.095532648,0.862302711,0.585901658,0.180736288,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1.08984375,1.046484375,1.005133929,0.9203125,1.219769022,1.001953125,0.728693182,0,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,35.86316424,17.61124769,27.02949208,35.84670333,3.982967037,17.6112478,-0.02962963,0.173747988,0.019305332,-1.575134436,63.76202664,7.084669626,3.739642037,0,11.85,12.15009716,-0.207938173,0.092233994,5.456042062,8.612755408,9,19,15,15,5,4,4,0,0,4,10.93207,3.765428653,3.258839911,2.64911457,2.625632713,2.020475955,0.932607949,0.926938202,0.705636383,1.952505542,1.650956488,1.152402844,1.102295258,0.801603097,0.305911373,0.298796655,0.228496171,3.776691301,3.282125781,2.675203415,2.656953789,2.079793726,1.042649032,1.040358538,0.841603787,1.921759287,1.588063217,1.071392144,1.028724763,0.698724205,0.145009386,0.137862753,0.059540287,3.828060316,3.390255786,2.804946338,2.79848862,2.32886479,1.509333156,1.504217428,1.375970038,1.838735379,1.412948404,0.83613095,0.824694856,0.376126744,0.404709933,0.410437301,0.529562477,3.785078284,3.299589378,2.694893082,2.680630738,2.122918188,1.123129086,1.122815948,0.938483976,1.902900841,1.548795732,1.019796144,0.982818829,0.631647147,0.03633571,0.02924343,0.055298127,3.854384749,3.446236968,2.881717314,2.863278479,2.442783452,1.714330405,1.707986516,1.600004556,1.814727766,1.361976954,0.766049172,0.765965708,0.26770109,0.603646471,0.607690939,0.749546954,3.781442792,3.330074143,2.728739464,2.686701954,2.168972452,1.202484343,1.195717719,1.025879058,1.899605372,1.504204009,0.988912544,0.933462583,0.574045556,0.05884255,0.063790468,0.154431551,0,0,0,7,1,1,0,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.018518519,0.204124145,0,0,0,0.096225045,0,0,0,0.433012702,0.65464793,0.637136847,0.166666667,0.21593063,0.175261141,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,5.541451884,3.11004234,1.910683603,1.158689248,0.75660012,0.431861261,0.138224104,0.05842038,0.615716876,0.34556026,0.19106836,0.105335386,0.06305001,0.035988438,0.023037351,0.014605095,11.70913902,18.43918427,17.62745098,17.8,12.99277246,142.1120539,0.616270475,0.970483383,0.927760578,0.936842105,0.683830129,7.479581784,2.53699,40.088,37.50463196,54.26687178,75.00926391,8.334362657,37.50463196,0.136437528,0.015159725,-1.792699594,35.3218919,3.924654656,3.208052645,81,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,1,0,7,0,0,0,0,0,0,0,0,1,0,0,0,7,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.64583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.020731293,0,0,0,0.344893707,0,3.020731293,0,0,0,0,0,0,0,0,2.020833333,0,0,0,14.38194444,0,0,0,0,1.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.3875,0,0,0,0.344893707,0,0.3875,0,0,0,0,0,0,0,0,2.020833333,0,0,0,2.020833333,0,0,0,0,1.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.444897959,0,0,0,0.344893707,0,0.444897959,0,0,0,0,0,0,0,0,2.020833333,0,0,0,2.083333333,0,0,0,0,1.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.66666667,1.962962963,0.444897959,2.083333333,0.234375,1.263888889,4.721736111,0.402777778,0.083333333,0.805555556,0.402777778,0.083333333,0.805555556,4.5,0.5,0,0,0.48947,0.7,0.43333,0.43333,0.7,0.05614,0.05614,0,0,0.71429,0,0,0.11111,0.11111,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,4.35638,0.48404,9.45555,5.09916,0.56657,1.99494,0.22166,4.43185,2.4369,0.27077,-0.01785,-0.00198,0.06815,0.00757,0.315789474,9,0,0,0,0,0,0,0.111111111,0.998000884,2.147077673,2.825845934,3.536886724,3.787143961,3.576617645,18.96201679,40.79447579,53.69107275,67.20084775,71.95573525,67.95573525,0.234938304,0.505441222,0.665229321,0.83261466,0.891527445,0.841967673,3.24992663,2.10084984,1.422081579,0.71104079,0.460783553,0.671309869,0.220622795,0.474643145,0.624694867,0.781880907,0.837203955,0.790664012,6.618775012,15.30911556,21.05820864,24.52568468,24.77790019,22.2515844,32.44785067,27.90620421,21.67273602,17.14653427,16.55585519,19.39534258,7.111111111,3.92,2.380165289,3,8,3,2.45,1.0961,0,2.085481947,0.333333333,0,9.563073858,4.445544946,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.155,0.148,0.653,0.8,4.358,10,11,12,12,6,4,2,0,0,75,2.63905733,2.995732274,3.433987204,3.80666249,4.17438727,3.713572067,3.713572067,3.218875825,0,0,5.648974238,3.773333333,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,2,0.222222222,0,3,6,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.04,0,0,0,0,0.111111111,0.044444444,0.0234375,0.030222222,0.030092593,0.04,0,0,0,0,0.27930787,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,0,130.4180268,4.169925001,3.663561646,4.394449155,5.153291594,5.905361848,6.673297968,7.430707083,8.200562797,8.959440144,9.729669736,78.11034197,2.944438979,0,4.077537444,0,5.433722004,0,6.886531643,0,8.379997952,8.639410824,118.0782503,6.214644754,17.70058553,1.966731726,0,0,0,94,8,3.461,38,1.240730216,2.212510785,3.085702479,4.000435977,4.685910127,5.0900472,5.840493447,6.438982046,0,0,103.316672,133.0998813,128.6705423,128.6362996,128.636087,73.23570253,28.93098914,6.542417854,0,0,348.6554645,492.0359492,533.7651429,578.1424989,633.49492,488.0208551,354.9943797,200.1476723,0,0,9.113592857,16.02367521,22.04329066,28.30041882,33.12821544,35.49074092,40.06679951,43.26006907,0,0,2.500924977,3.717975493,4.285951135,4.846932312,5.469291048,4.688584002,3.983753994,2.862854512,0,0,172.3937219,322.8405634,471.5288031,631.5477142,740.1638343,840.1750749,1014.084804,1190.681441,0,0,3.667517614,5.649490125,6.85739822,8.071687385,9.420118593,8.581344949,7.913942572,6.438982046,0,0,0.513239767,0.7708777,0.899024408,1.025174862,1.161959366,1.014243257,0.883373129,0.659351762,0,0,270.9950913,138.3445802,13.2918813,165.2626634,-84.36755694,-9.671759729,105.7324279,222.7121372,22.96364103,0.621181144,0.31711661,0.030467954,0.378818856,-0.193389243,-0.022169829,118.2237101,60.35389594,5.798686293,72.09711848,-36.80600096,-4.219380183,0.122121285,0.169540335,2.199080383,3.257738909,436.2577547,0,1,0,653.2020165,25.55781713,8.676591924,754.5837685,27.46968818,9.104074851,1074.501706,32.77959283,10.24241503,1.38113944,1.375141106,567.5774465,454.2657342,133.4654604,1.249439268,4.252616705,3.403620178,4.160564669,4.150853919,7.411394112,0.785510706,4.616374001,4.080124111,3.24197037,12.71282661,4.900615824,7.183308186,5.906246057,3.205141904,4.216565368,4.274930604,1.893512324,2.235515017,5.49E-04,0.742765287,9.09E-16,3.42E-52,2.50E-110,3.54E-190,9.65E-292,0,0,0,0,0,0,0,0,0,0,0,0.387425299,4.07606928,0.218169338,6.882705677,1.794749093,0.543854975,0.439694833,1.693564793,0.829439271,0.497776893,0.033499693,0.112548334,3.86E-06,0.005231357,6.40E-18,2.41E-54,1.76E-112,2.49E-192,6.80E-294,0,0,0,0,0,0,0,0,0,0,0,1.250643887,4.076340288,0.739797071,7.374647836,2.291853334,1.785909601,1.39791973,1.962612701,1.334328655,1.117762754,0.190777101,0.412780858,4.03E-05,0.05451477,6.67E-17,2.51E-53,1.84E-111,2.60E-191,7.08E-293,0,0,0,0,0,0,0,0,0,0,0,4.357480792,4.079678946,3.023037262,12.10894266,4.662057038,6.736799448,5.51582883,3.098631434,3.943232089,3.99027301,1.700969177,2.058458526,4.89E-04,0.661790499,8.10E-16,3.04E-52,2.23E-110,3.15E-190,8.60E-292,0,0,0,0,0,0,0,0,0,0,0,1.843216386,4.076691614,1.126262149,7.919633961,2.673739162,2.672152386,2.102510163,2.159033194,1.736293693,1.588202123,0.364775551,0.658404258,8.74E-05,0.118413364,1.45E-16,5.45E-53,3.99E-111,5.64E-191,1.54E-292,0,0,0,0,0,0,0,0,0,0,0,5.574939026,4.081995956,4.090979126,15.22915085,5.838868735,8.881998487,7.415095337,3.615367305,5.303506089,5.389547296,2.695741927,2.944542659,8.00E-04,1.083253365,1.33E-15,4.98E-52,3.65E-110,5.16E-190,1.41E-291,0,0,0,0,0,0,0,0,0,0,0,2.396112915,3.937849457,1.488864392,8.384953089,2.962350294,3.345129347,2.740072564,2.408209234,2.162622977,2.058432352,0.559475743,0.906945751,1.42E-04,0.192764647,2.36E-16,8.87E-53,6.50E-111,9.18E-191,2.50E-292,0,0,0,0,0,0,0,0,0,0,0,5.096991885,1.877720099,0.21884152,0.708549937,0.261028169,0.573981875,0.52925869,0.274382451,7.193553503,11.09708067,20.38510598,0.562824906,1.377623015,3.822543984,1.056348804,0.086948435,0.769767661,0.212723033,0.324895496,0.169509908,0.041926865,4.965841223,4.46215186,9.779085628,0.654651492,0.53633227,4.242455681,1.330592204,0.130656968,0.743807015,0.233285599,0.3989484,0.268739791,0.096103803,5.703704853,6.373135993,12.81439661,0.615710523,0.763791994,5.055072744,1.85117298,0.214535365,0.709904248,0.259967686,0.564627751,0.514783643,0.263525096,7.120781089,10.83944802,19.96781117,0.564856372,1.342936489,4.461677972,1.472239375,0.153367655,0.732950399,0.241854846,0.440724477,0.32838878,0.133173432,6.087285002,7.478728981,14.57343366,0.599425599,0.902286689,5.232890912,1.963601392,0.232789637,0.704360254,0.264305677,0.604855484,0.577321271,0.311070886,7.429281941,11.95058071,21.77184877,0.55654038,1.493247641,5.055105257,1.849275969,0.21416147,0.710132041,0.259782943,0.564643084,0.513785695,0.262530766,7.118542696,10.82693711,19.94752219,0.565198062,1.340959545 +UMLRON0275,L,cis-l-propenyl benzene,C/C=C\C1=CC=CC=C1,252324,Sandia values from independent api report ,Sandia,,C9H10,UML,,100.5,0,2.1151,4.47364801,45.7868,22.50793,0,0,19,9,10,0,9,0,0,0,0,0,0,0,0,0,1308.537729,1419.447969,1651.509898,1392.276152,924.178589,608.387979,274.479577,55.5408,3.048192,4122.48956,4959.018279,6278.942729,5816.80088,4233.124071,3063.365801,1850.636765,676.5326765,93.25123329,135.049284,139.040964,216.560296,249.306848,212.050868,162.57918,139.183012,75.499776,20.155392,29.54622905,36.2355431,48.15309198,47.02544513,35.7627251,26.62399777,17.92585924,7.566467574,1.333838715,2990.325725,2672.374682,4425.779828,5403.024471,4748.191412,3633.604648,3322.278701,1906.913755,554.7529561,44.77777778,54,74,75.66666667,59.66666667,46,33,15,3,68.87040679,74.70778784,55.05032993,39.77931863,30.80595297,26.45165126,13.72397885,5.049163636,1.016064,216.9731347,261.0009621,209.298091,166.1943109,141.1041357,133.1898174,92.53183827,61.50297059,31.08374443,7.107857053,7.317945474,7.218676533,7.1230528,7.068362267,7.06866,6.9591506,6.863616,6.718464,1.555064687,1.907133847,1.605103066,1.343584147,1.192090837,1.15756512,0.896292962,0.687860689,0.444612905,157.3855645,140.651299,147.5259943,154.3721278,158.2730471,157.9828108,166.1139351,173.3557959,184.917652,2.356725146,2.842105263,2.466666667,2.161904762,1.988888889,2,1.65,1.363636364,1,0.059541121,-0.002941259,-0.022583921,-0.005582548,-0.002376537,-0.006324647,-6.83E-04,0.005685963,0.005035755,573.4705689,3.91E-13,-96.24915397,-87.86508132,-70.76157313,-158.9620174,-23.81076631,69.4201215,81.49318611,1066.393011,-2.84E-14,-178.9794118,-163.3888707,-131.5841669,-295.5966592,-44.27713672,129.0896803,151.5400595,0.112338947,9.37E-16,-0.018854548,-0.017212166,-0.013861706,-0.031139568,-0.004664366,0.013598925,0.015963956,4.767272928,8.22E-15,-0.800121246,-0.730424273,-0.588242449,-1.321454601,-0.197939402,0.577090933,0.677454574,25.89590221,5.55E-14,-4.346271306,-3.967676245,-3.195342319,-7.178162367,-1.075209975,3.134767109,3.679943998,4.49122807,-0.362573099,-0.72299169,-0.58910434,-0.009541397,-1.337334564,-0.312403817,0.464142813,0.624192059,0.003133743,-1.55E-04,-7.53E-04,-1.60E-04,-7.92E-05,-2.75E-04,-3.42E-05,5.17E-04,0.001678585,30.18266152,2.06E-14,-3.208305132,-2.510430895,-2.358719104,-6.911392059,-1.190538316,6.310920137,27.16439537,56.12594795,-1.50E-15,-5.965980393,-4.668253448,-4.386138895,-12.85202866,-2.213856836,11.73542548,50.51335315,0.005912576,4.93E-17,-6.28E-04,-4.92E-04,-4.62E-04,-0.001353894,-2.33E-04,0.001236266,0.005321319,0.250909101,4.32E-16,-0.026670708,-0.020869265,-0.019608082,-0.057454548,-0.00989697,0.052462812,0.225818191,1.362942221,2.92E-15,-0.14487571,-0.113362178,-0.106511411,-0.312094016,-0.053760499,0.284978828,1.226647999,0.236380425,-0.019082795,-0.024099723,-0.016831553,-3.18E-04,-0.058144981,-0.015620191,0.042194801,0.20806402,-0.049398784,-0.240223054,-0.050898032,-0.025279001,-0.087749587,-0.010903352,0.164948331,0.535648525,6.81E-16,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,-2.67E-17,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,8.34E-15,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,1.72E-15,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,2.14E-15,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,-0.080729167,-0.101953125,-0.071205357,-0.001345486,-0.245980525,-0.066080729,0.178503788,0.880208333,1.031178003,1.173701408,1.012748308,1.043998422,1.095532648,0.862302711,0.585901658,0.180736288,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1.08984375,1.046484375,1.005133929,0.9203125,1.219769022,1.001953125,0.728693182,0,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,35.86316424,17.61124769,27.02949208,35.84670333,3.982967037,17.6112478,-0.02962963,0.173747988,0.019305332,-1.575134436,63.76202664,7.084669626,3.739642037,0,11.85,12.15009716,-0.207938173,0.092233994,5.456042062,8.612755408,9,19,15,15,5,4,4,0,0,4,10.93207,3.765428653,3.258839911,2.64911457,2.625632713,2.020475955,0.932607949,0.926938202,0.705636383,1.952505542,1.650956488,1.152402844,1.102295258,0.801603097,0.305911373,0.298796655,0.228496171,3.776691301,3.282125781,2.675203415,2.656953789,2.079793726,1.042649032,1.040358538,0.841603787,1.921759287,1.588063217,1.071392144,1.028724763,0.698724205,0.145009386,0.137862753,0.059540287,3.828060316,3.390255786,2.804946338,2.79848862,2.32886479,1.509333156,1.504217428,1.375970038,1.838735379,1.412948404,0.83613095,0.824694856,0.376126744,0.404709933,0.410437301,0.529562477,3.785078284,3.299589378,2.694893082,2.680630738,2.122918188,1.123129086,1.122815948,0.938483976,1.902900841,1.548795732,1.019796144,0.982818829,0.631647147,0.03633571,0.02924343,0.055298127,3.854384749,3.446236968,2.881717314,2.863278479,2.442783452,1.714330405,1.707986516,1.600004556,1.814727766,1.361976954,0.766049172,0.765965708,0.26770109,0.603646471,0.607690939,0.749546954,3.781442792,3.330074143,2.728739464,2.686701954,2.168972452,1.202484343,1.195717719,1.025879058,1.899605372,1.504204009,0.988912544,0.933462583,0.574045556,0.05884255,0.063790468,0.154431551,0,0,0,7,1,1,0,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.018518519,0.204124145,0,0,0,0.096225045,0,0,0,0.433012702,0.65464793,0.637136847,0.166666667,0.21593063,0.175261141,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,5.541451884,3.11004234,1.910683603,1.158689248,0.75660012,0.431861261,0.138224104,0.05842038,0.615716876,0.34556026,0.19106836,0.105335386,0.06305001,0.035988438,0.023037351,0.014605095,11.70913902,18.43918427,17.62745098,17.8,12.99277246,142.1120539,0.616270475,0.970483383,0.927760578,0.936842105,0.683830129,7.479581784,2.53699,40.088,37.50463196,54.26687178,75.00926391,8.334362657,37.50463196,0.136437528,0.015159725,-1.792699594,35.3218919,3.924654656,3.208052645,81,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,1,0,7,0,0,0,0,0,0,0,0,1,0,0,0,7,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.64583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.020731293,0,0,0,0.344893707,0,3.020731293,0,0,0,0,0,0,0,0,2.020833333,0,0,0,14.38194444,0,0,0,0,1.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.3875,0,0,0,0.344893707,0,0.3875,0,0,0,0,0,0,0,0,2.020833333,0,0,0,2.020833333,0,0,0,0,1.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.444897959,0,0,0,0.344893707,0,0.444897959,0,0,0,0,0,0,0,0,2.020833333,0,0,0,2.083333333,0,0,0,0,1.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.66666667,1.962962963,0.444897959,2.083333333,0.234375,1.263888889,4.721736111,0.402777778,0.083333333,0.805555556,0.402777778,0.083333333,0.805555556,4.5,0.5,0,0,0.48947,0.7,0.43333,0.43333,0.7,0.05614,0.05614,0,0,0.71429,0,0,0.11111,0.11111,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,4.35638,0.48404,9.45555,5.09916,0.56657,1.99494,0.22166,4.43185,2.4369,0.27077,-0.01785,-0.00198,0.06815,0.00757,0.315789474,9,0,0,0,0,0,0,0.111111111,0.998000884,2.147077673,2.825845934,3.536886724,3.787143961,3.576617645,18.96201679,40.79447579,53.69107275,67.20084775,71.95573525,67.95573525,0.234938304,0.505441222,0.665229321,0.83261466,0.891527445,0.841967673,3.24992663,2.10084984,1.422081579,0.71104079,0.460783553,0.671309869,0.220622795,0.474643145,0.624694867,0.781880907,0.837203955,0.790664012,6.618775012,15.30911556,21.05820864,24.52568468,24.77790019,22.2515844,32.44785067,27.90620421,21.67273602,17.14653427,16.55585519,19.39534258,7.111111111,3.92,2.380165289,3,8,3,2.45,1.0961,0,2.085481947,0.333333333,0,9.563073858,4.445544946,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.155,0.148,0.653,0.8,4.358,10,11,12,12,6,4,2,0,0,75,2.63905733,2.995732274,3.433987204,3.80666249,4.17438727,3.713572067,3.713572067,3.218875825,0,0,5.648974238,3.773333333,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,2,0.222222222,0,3,6,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.04,0,0,0,0,0.111111111,0.044444444,0.0234375,0.030222222,0.030092593,0.04,0,0,0,0,0.27930787,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,0,130.4180268,4.169925001,3.663561646,4.394449155,5.153291594,5.905361848,6.673297968,7.430707083,8.200562797,8.959440144,9.729669736,78.11034197,2.944438979,0,4.077537444,0,5.433722004,0,6.886531643,0,8.379997952,8.639410824,118.0782503,6.214644754,17.70058553,1.966731726,0,0,0,94,8,3.461,38,1.24032323,2.210860374,3.075343682,3.988788975,4.980529484,5.839778136,7.12180992,8.137125432,0,0,103.1822927,132.3657204,130.2794126,137.0149904,146.2387029,88.66620899,36.3572059,8.267840215,0,0,348.3063085,490.1491434,535.2186603,601.5851796,704.0772214,578.1311726,441.0145065,252.9323273,0,0,9.110281854,16.00946159,21.96622864,28.27547513,35.2952192,40.77963243,48.89569341,54.66898428,0,0,2.498830718,3.706820609,4.283499346,4.986556935,6.01175571,5.505565686,4.922818935,3.617870976,0,0,172.3571924,322.7448775,470.3196441,625.5700627,780.4386661,959.221383,1233.466,1504.698129,0,0,3.665463029,5.637558204,6.836713077,8.219121888,10.27919746,10.02193963,9.747445859,8.137125432,0,0,0.512826192,0.768683692,0.898071065,1.052498888,1.274547513,1.18909197,1.090560841,0.833241644,0,0,292.1658915,149.1523976,13.93903133,150.5132459,-76.83789296,-8.815494972,141.6526456,225.9902906,22.7545263,0.659994716,0.336931165,0.031487889,0.340005284,-0.173574688,-0.019913961,129.3357448,66.02665472,6.170518366,66.62907385,-34.01453218,-3.90243571,0.122121285,0.169540335,3.104107322,4.180142888,442.6791374,0,1,0,654.9872404,25.5927185,8.68448921,756.1644081,27.49844374,9.110427238,1059.132424,32.54431478,10.19334573,1.914336166,1.914336166,657.9770389,578.9146307,103.068451,1.136570064,6.383884037,5.616797626,4.252981034,4.594502046,8.31919167,0.810684071,4.526772545,3.993752783,1.959969476,10.87894113,3.895203885,5.717195368,1.527817358,3.787342131,4.643521879,3.601611538,1.91428008,2.337380263,2.856818881,1.504935639,1.588278256,0.038038174,7.42E-21,2.79E-61,2.03E-123,2.84E-207,7.65840807334E-313,0,0,0,0,0,0,0,0,0,0.379908412,3.992025417,0.162985112,6.865687354,0.139274417,1.240995256,0.202877211,1.229458615,0.1936488,0.169431549,1.340837478,0.467760791,0.180581957,0.01259206,0.011192791,2.68E-04,5.23E-23,1.97E-63,1.43E-125,2.00E-209,5.393879427E-315,0,0,0,0,0,0,0,0,0,1.226371789,3.992140904,0.52712495,7.141113326,0.498727738,2.113257636,0.431417522,1.628947532,0.625507679,0.634451026,1.384820946,0.849379711,0.621929653,0.115573329,0.116587125,0.002791787,5.45E-22,2.05E-62,1.49E-124,2.08E-208,5.6208382313E-314,0,0,0,0,0,0,0,0,0,4.272904494,3.993563155,1.849017307,10.44088667,3.521210473,5.428510638,1.431879732,3.58736803,4.202549812,3.308162037,1.853325158,2.222919864,2.655861058,1.342242635,1.41513175,0.033891328,6.61E-21,2.49E-61,1.81E-123,2.53E-207,6.82350371487E-313,0,0,0,0,0,0,0,0,0,1.807442362,3.992290584,0.777886227,7.491639611,0.866390833,2.724338501,0.600746699,1.939595428,1.063434638,1.023615444,1.436709736,1.111352186,0.956056696,0.2461372,0.253227024,0.006064134,1.18E-21,4.45E-62,3.23E-124,4.52E-208,1.2209211732E-313,0,0,0,0,0,0,0,0,0,5.466731669,3.99455013,2.371845075,12.71927666,5.443500309,6.802704599,1.899864721,4.577013566,6.467623398,4.782742344,2.169318519,2.761179726,3.643022804,2.18830764,2.316333636,0.055475101,1.08E-20,4.07E-61,2.96E-123,4.14E-207,1.11690684257E-312,0,0,0,0,0,0,0,0,0,2.349607191,3.871221818,0.994862549,7.813845682,1.26750041,3.261851755,0.727114469,2.252604499,1.544371475,1.420991426,1.546540983,1.367079392,1.283076439,0.397292007,0.41221634,0.009871779,1.93E-21,7.25E-62,5.26E-124,7.36E-208,1.9875327467E-313,0,0,0,0,0,0,0,0,0,6.679408353,1.388178435,0.335128151,0.79491074,0.165205942,0.567540154,0.386817445,0.216803748,8.402714939,11.97588608,23.48597983,0.69236611,1.171161346,4.918330911,0.771177278,0.101798017,0.849261071,0.133161199,0.30771796,0.118746333,0.019415634,5.791306206,4.372085698,10.54950212,0.773891606,0.445879927,5.501589498,0.975366424,0.179301985,0.826528896,0.146533749,0.38502421,0.190316459,0.061027011,6.656257908,6.527396731,14.14580087,0.739793344,0.636367681,6.621873886,1.368003905,0.327530568,0.7961463,0.164474779,0.557803998,0.375600969,0.206956096,8.317408359,11.67567854,22.96010421,0.694219449,1.140361062,5.804818341,1.081597822,0.219488928,0.816900629,0.152211127,0.428636692,0.234253547,0.091934211,7.105905091,7.789970972,16.27393266,0.725350944,0.75482445,6.865779094,1.453534292,0.359731358,0.791075435,0.167476299,0.599657085,0.424292714,0.250283897,8.679044745,12.97236326,25.24139938,0.686613152,1.274233696,6.621476274,1.366798106,0.326815859,0.796320435,0.164375619,0.55773698,0.374930131,0.206028022,8.315090238,11.66091598,22.93376204,0.694480652,1.138695133 +UMLRON0276,L,trans-l-propenyl benzene,C/C=C/C1=CC=CC=C1,252325,Sandia values from independent API report ,Sandia,,C9H10,UML,,100.4,0,3.3677,11.34140329,55.7662,34.45586,0,0,32,12,20,0,12,0,0,0,0,0,0,0,0,0,1751.490732,1973.311212,2927.79549,3266.708274,2312.576458,1350.382326,616.607042,157.563504,15.24096,5703.87771,7376.935148,11103.79617,14058.15311,13208.84286,8680.175966,4492.542824,2008.112646,466.2561665,224.855472,232.838832,428.283144,554.072904,794.949544,770.971992,360.983432,239.537088,100.77696,42.3590581,55.7376862,86.26615854,113.2235887,119.8403962,86.60603569,44.53173037,22.91969713,6.669193573,5219.885314,4583.983227,9222.167083,11443.70914,18120.59952,19281.0037,8704.593706,6122.371673,2773.76478,61.64583333,72.36111111,108.7083333,156.3611111,196.1944444,157.75,85.33333333,49,15,54.73408537,61.66597537,48.7965915,42.42478278,20.46527839,12.05698505,11.85782773,4.5018144,1.016064,178.2461784,230.5292234,185.0632695,182.573417,116.8924147,77.50157113,86.3950543,57.37464704,31.08374443,7.0267335,7.2762135,7.1380524,7.195752,7.034951717,6.8836785,6.941989077,6.8439168,6.718464,1.323720566,1.741802694,1.437769309,1.470436216,1.060534479,0.773268176,0.85637943,0.654848489,0.444612905,163.121416,143.2494759,153.7027847,148.6195992,160.3592878,172.1518188,167.3960328,174.924905,184.917652,1.926432292,2.261284722,1.811805556,2.030663781,1.736234022,1.408482143,1.641025641,1.4,1,0.057527972,-0.002051969,0.008104685,-0.034668044,-0.032582229,0.034626,-0.019248141,0.001475881,0.01557983,907.9950675,-1.20E-12,385.8979037,-641.2715164,-906.1034111,544.7970405,-189.1656391,96.47447592,255.3736127,1688.455601,3.55E-13,717.5936303,-1192.471768,-1684.937985,1013.07336,-351.7615835,179.3984076,474.8781377,0.17787,2.78E-15,0.07559475,-0.125620687,-0.177499437,0.106722,-0.03705625,0.018898687,0.050025937,7.548182136,1.87E-14,3.207977408,-5.330903634,-7.532456757,4.528909282,-1.572537945,0.801994352,2.122926226,41.00184516,-3.97E-13,17.42578419,-28.95755315,-40.91642465,24.6011071,-8.542051076,4.356446049,11.53176895,7.175130208,-2.332248264,2.417073568,-2.100660536,-5.688958062,5.155924479,-1.414794922,-1.016418457,1.39251709,0.001797749,-6.41E-05,1.35E-04,-4.50E-04,-2.88E-04,3.09E-04,-3.70E-04,4.22E-05,0.001038655,28.37484586,-3.75E-14,6.431631728,-8.328201512,-8.018614258,4.86425929,-3.637800751,2.756413598,17.02490752,52.76423752,1.11E-14,11.95989384,-15.48664634,-14.91095562,9.045297861,-6.764645837,5.125668788,31.65854251,0.005558437,8.70E-17,0.001259913,-0.001631437,-0.001570791,9.53E-04,-7.13E-04,5.40E-04,0.003335062,0.235880692,5.85E-16,0.05346629,-0.069232515,-0.066658909,0.04043669,-0.030241114,0.022914124,0.141528415,1.281307661,-1.24E-14,0.290429737,-0.376072119,-0.362092254,0.219652742,-0.164270213,0.124469887,0.768784597,0.224222819,-0.072882758,0.040284559,-0.027281306,-0.050344762,0.04603504,-0.027207595,-0.029040527,0.092834473,-0.035669069,0.075137338,-0.250443362,-0.160388511,0.171971001,-0.205900007,0.023456021,0.577753211,-1.32E-15,0.226666667,-0.293506494,-0.28259587,0.171428571,-0.128205128,0.097142857,0.6,2.10E-16,0.226666667,-0.293506494,-0.28259587,0.171428571,-0.128205128,0.097142857,0.6,1.57E-14,0.226666667,-0.293506494,-0.28259587,0.171428571,-0.128205128,0.097142857,0.6,2.48E-15,0.226666667,-0.293506494,-0.28259587,0.171428571,-0.128205128,0.097142857,0.6,-9.67E-15,0.226666667,-0.293506494,-0.28259587,0.171428571,-0.128205128,0.097142857,0.6,-0.325046124,0.179663067,-0.121670514,-0.224530054,0.205309344,-0.121341774,-0.129516378,0.414027765,1.256488572,1.005558843,1.408769521,1.099375055,0.646008403,1.192514172,0.779921798,0.072883988,1.291666667,0.895555556,1.476190476,1.261946903,0.627380952,0.993589744,0.64952381,0,1.291666667,0.895555556,1.476190476,1.261946903,0.627380952,0.993589744,0.64952381,0,1.291666667,0.895555556,1.476190476,1.261946903,0.627380952,0.993589744,0.64952381,0,1.291666667,0.895555556,1.476190476,1.261946903,0.627380952,0.993589744,0.64952381,0,1.291666667,0.895555556,1.476190476,1.261946903,0.627380952,0.993589744,0.64952381,0,1.655808608,0.51980764,1.200327906,1.323332581,0.541533263,1.269371526,1.234422596,0,57.88035377,28.94017688,42.07355989,57.88035377,4.823362814,28.94017688,-1.07E-14,0.027034187,0.002252849,-4.332783643,67.81869466,5.651557889,5.060205467,57.88035377,28.94017688,42.07355989,57.88035377,4.823362814,28.94017688,-1.07E-14,0.027034187,0.002252849,-4.332783643,67.81869466,5.651557889,5.060205467,57.88035377,28.94017688,42.07355989,57.88035377,4.823362814,28.94017688,-1.07E-14,0.027034187,0.002252849,-4.332783643,67.81869466,5.651557889,5.060205467,57.88035377,28.94017688,42.07355989,57.88035377,4.823362814,28.94017688,-1.07E-14,0.027034187,0.002252849,-4.332783643,67.81869466,5.651557889,5.060205467,57.88035377,28.94017688,42.07355989,57.88035377,4.823362814,28.94017688,-1.07E-14,0.027034187,0.002252849,-4.332783643,67.81869466,5.651557889,5.060205467,57.88035377,28.94017688,42.07355989,57.88035377,4.823362814,28.94017688,-1.07E-14,0.027034187,0.002252849,-4.332783643,67.81869466,5.651557889,5.060205467,79.16465192,39.29899263,59.00201287,78.6924297,6.557702475,39.29899263,-0.566666667,0.090336544,0.007528045,-2.885055848,67.9110234,5.65925195,5.061838043,0,11.89,12.11019763,-0.169516066,0.052747865,6.588522316,11.07194205,12,32,30,30,10,2,2,0,0,2,21.86414,3.801140415,3.393066176,2.89910061,2.796691368,2.473862626,2.231917132,2.216330268,1.849757823,2.038255918,1.723017246,1.47811661,1.431190794,1.293835819,1.123307645,1.094722827,0.796797178,3.815395102,3.41146373,2.936465359,2.838848408,2.535680264,2.301281592,2.284439474,1.921661728,1.999697626,1.667371915,1.39272185,1.340066679,1.187572004,1.010910804,0.983337382,0.673515879,3.880720878,3.498975341,3.10568852,3.027720067,2.79769629,2.591149459,2.569291934,2.224058473,1.894325079,1.517762987,1.14014167,1.065741666,0.847740777,0.645762644,0.623029837,0.281599524,3.826031221,3.425367144,2.964304381,2.870155422,2.580769006,2.351641537,2.333896408,1.973939486,1.975887946,1.633132217,1.338067904,1.281340261,1.117553765,0.936426255,0.909664532,0.592480328,3.914263847,3.545579281,3.189960473,3.120458301,2.918355799,2.722434598,2.698526822,2.36280732,1.863735208,1.475764379,1.062209558,0.979526324,0.733034767,0.520234954,0.499554272,0.149669214,3.782388761,3.524125291,3.031782762,2.89008541,2.646330098,2.593154795,2.375257876,1.99612859,2.045990545,1.573536915,1.288444683,1.203989675,1.019717595,0.856510127,0.677711039,0.53732127,0,0,1,0,3,4,3,0,1,0,0,0,0.058925565,0.210797386,0,0,0,0.044194174,0.154679608,1.562665513,0.144337567,0.719252524,0.144337567,1.258883476,0.125,0.463388348,0.088388348,3.660049158,3.621191225,4.654237548,2.726713562,2.651269389,3.151919866,9.353371151,5.455012907,5.506097793,4.32433312,2.40508429,1.939251017,1.048240148,0.291233373,0.779447596,0.454584409,0.305894322,0.205920625,0.120254214,0.080802126,0.058235564,0.041604768,8.828427125,4.767766953,4.578427125,3.465990258,1.86557765,1.407550955,0.691941738,0.172985435,0.73570226,0.397313913,0.254357062,0.165047155,0.093278883,0.058647956,0.038441208,0.024712205,17.41827804,30.87836854,29.25490196,29.6,19.98554491,243.7679401,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,3.94148,54.606,51.4511151,69.71731123,102.9022302,8.57518585,51.4511151,0.209722751,0.017476896,-1.874362627,83.68365958,6.973638298,5.312452479,108,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,4,5,0,1,0,0,0,0,0,0,0,0,4,1,3,0,0,0,0,0,0,3,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.596542423,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.325522959,0,0,0,1.205416667,1.566352041,0,0.325522959,0,0,0,0,0,0,0,0,9.016096466,4.0874452,3.758796296,0,0,0,0,0,0,4.509097222,0,0,0.378564815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.341990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.325522959,0,0,0,0.269027778,0.302324263,0,0.325522959,0,0,0,0,0,0,0,0,2.160648148,4.0874452,1.216435185,0,0,0,0,0,0,1.341990741,0,0,0.378564815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.0874452,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.325522959,0,0,0,0.333680556,0.333680556,0,0.325522959,0,0,0,0,0,0,0,0,2.338564815,4.0874452,1.283240741,0,0,0,0,0,0,1.591412037,0,0,0.378564815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.75,1.8125,0.333680556,4.0874452,4.17E-04,0.378564815,6.463466733,0.871435185,1.0874452,4.207083333,0.871435185,1.0874452,4.207083333,6,0.5,0,0,0.45,0.7,0.43333,0.43333,0.7,0.01667,0.01667,0,0,0.71429,0,0,0.41667,0.25,0.08333,8,0.66667,6,0.5,2,0.16667,-4,-0.33333,0,0,14.12958,1.17747,17.06361,2.93403,0.2445,4.36301,0.36358,5.45499,1.09199,0.091,0.45901,0.03825,0.54501,0.04542,0.1875,12,0,0,0,0,0,0,0.666666667,0.954434003,2.232236718,3.28768789,3.561278124,3.709868359,4.030639062,30.54188809,71.43157497,105.2060125,113.9609,118.7157875,128.98045,0.190886801,0.446447344,0.657537578,0.712255625,0.741973672,0.806127812,4.045565997,2.767763282,1.71231211,1.438721876,1.290131641,0.969360938,0.187605105,0.438772093,0.646233298,0.700010641,0.72921778,0.792268993,6.794779896,18.90636146,20.65708251,22.56614345,24.34922626,23.29848514,46.68191129,27.18026092,25.2436082,21.79323242,18.84285664,19.34191719,10.08333333,3.395061728,2.040816327,2,2,0,2.78,1.6048,2.519030196,5.259445099,6.077624224,2.305269779,1.650963624,4.797076866,2.381101578,1.310370697,1.650963624,0,0,0,0,0,0,0,0,0,0,0.003,0.155,0.135,0.266,0.514,5.47,18,21,20,24,18,7,0,0,0,132,2.708050201,3.218875825,3.433987204,3.433987204,3.784189634,3.688879454,2.995732274,0,0,0,5.356586275,1.598484848,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.083333333,5,0.416666667,0,3,6,1,4.5,2.666666667,1,0.844444444,0.236111111,0,0,0,0,0,0.375,0.148148148,0.055555556,0.084444444,0.039351852,0,0,0,0,0,0.7025,31.66204238,45.55946024,63.32408475,5.277007063,31.66204238,0.003839657,3.20E-04,-6.674846804,84.77139868,7.064283223,5.327949847,0,198.4788981,4.584962501,4.110873864,4.934473933,5.814130532,6.670766321,7.546974118,8.410720947,9.286096984,10.15140176,11.02661358,91.95205204,3.218875825,0,4.574710979,0,6.137727054,0,7.786967003,0,9.476160198,9.683277195,164.1565006,5.129890645,22.9951463,1.916262192,0,0,0,184,18,4.203,60,1.26778063,2.210929002,3.146902207,3.814751291,4.479516216,5.832421298,6.640528804,7.500782376,0,0,91.06263995,123.8483147,144.2814019,89.29609626,65.08572393,75.20070871,31.52954064,7.621274944,0,0,322.3628239,452.298075,601.1244266,477.2938214,387.8957269,526.3334796,393.3306584,233.1524024,0,0,9.265868608,15.86959194,22.68767967,26.90494391,30.96450726,40.56038285,45.50607464,50.39373636,0,0,2.371550615,3.434604859,4.776802451,4.235102603,3.740134735,5.147539039,4.447158568,3.334944641,0,0,179.0422308,333.6532474,464.8228918,606.8560741,761.3427065,970.85404,1156.906424,1387.027065,0,0,2.920942989,4.201305208,6.507352167,6.777176932,6.663241666,9.824160057,9.455405409,7.500782376,0,0,0.489029417,0.713537873,0.998996613,0.903726949,0.811682136,1.116970671,0.987450467,0.768080115,0,0,352.3821069,213.6882322,10.72758235,81.42055863,-49.37428689,-4.774407955,270.9615482,263.0625191,15.50199031,0.812309686,0.492593175,0.024729176,0.187690314,-0.113817389,-0.011005944,152.8642972,92.69852473,4.653653818,35.32045536,-21.41869726,-2.071150897,0.088139897,0.163554036,2.086323521,2.926682154,433.8026655,0,1,0,760.8810588,27.58407256,9.129330387,955.046405,30.90382509,9.847851507,1484.015673,38.52292399,11.40633605,1.710712933,1.710712933,994.7676144,917.2026151,294.0132045,1.084566919,3.383411354,3.119596675,4.968780539,4.743615834,8.411195525,0.773161196,5.772838505,7.960874131,6.137327496,23.50884395,18.68969896,17.32990566,15.5691777,27.56831653,13.60187804,9.720353145,7.409658906,7.970434505,5.809924235,4.619244184,4.459930816,0.590505092,8.79E-16,3.27E-52,2.35E-110,3.26E-190,8.71E-292,0,0,0,0,0,0,0,0,0,0.482207773,7.283294901,0.51254183,11.20750807,5.869695818,2.271945417,1.575055721,4.858174297,2.446077753,1.6903314,1.155479889,0.464091697,1.008142016,0.265552918,0.03145913,0.004158976,6.19E-18,2.30E-54,1.66E-112,2.29E-192,6.13E-294,0,0,0,0,0,0,0,0,0,1.557863774,7.328572767,1.475940647,13.00212897,7.625688406,4.842467982,3.439256398,7.657797683,3.63720822,2.86734222,1.828679119,1.350542603,1.728355714,0.937697784,0.327455655,0.043339733,6.45E-17,2.40E-53,1.72E-111,2.39E-191,6.39E-293,0,0,0,0,0,0,0,0,0,5.447437698,7.886482107,5.727627308,22.5023462,17.60032969,16.23007805,14.36142543,25.52850163,12.53473492,9.065289607,6.813315356,7.282455313,5.424007087,4.276110941,3.97375075,0.526129406,7.83E-16,2.91E-52,2.09E-110,2.90E-190,7.76E-292,0,0,0,0,0,0,0,0,0,2.297537092,7.387277284,2.19213682,14.44677732,9.086724482,6.756440299,5.013605526,10.12479802,4.777339667,3.812526686,2.469974811,2.150800998,2.299939156,1.463398284,0.71116062,0.094139691,1.40E-16,5.21E-53,3.75E-111,5.19E-191,1.39E-292,0,0,0,0,0,0,0,0,0,6.979368202,8.273682406,7.728468398,27.52319009,23.06892293,21.60416661,20.43952272,35.85830992,17.989251,12.33136803,9.860026619,10.77709537,7.343210272,5.976689528,6.504235101,0.86119618,1.28E-15,4.77E-52,3.43E-110,4.75E-190,1.27E-291,0,0,0,0,0,0,0,0,0,3.469815961,6.248699388,2.853709728,15.11309831,10.00481302,9.014986935,6.690076698,13.60461893,6.998047335,5.136175512,3.895350359,3.753195922,3.740791855,2.328714677,1.357788783,0.179749469,2.68E-16,9.96E-53,7.15E-111,9.91E-191,2.65E-292,0,0,0,0,0,0,0,0,0,6.163361407,1.82305833,1.235170378,0.668362108,0.197694574,0.528615287,0.52312365,0.43707419,9.221590116,21.10075644,44.20092764,0.502543162,1.488813127,4.929078277,1.132640452,0.662267022,0.733059001,0.168447777,0.338505207,0.197422057,0.124239911,6.723985752,9.597349863,20.01868859,0.599588501,0.660167176,5.391123528,1.391342688,0.87812518,0.703747694,0.181623404,0.404628626,0.300666654,0.219931106,7.660591396,13.45675467,27.70407549,0.555621541,0.925226386,6.129804763,1.804316268,1.219736946,0.669641672,0.197109926,0.522876126,0.512154397,0.426195579,9.153857977,20.73764701,43.38192545,0.504462508,1.461226102,5.608564683,1.512987767,0.979085612,0.692360854,0.1867739,0.43783162,0.356972066,0.273957323,8.100638062,15.4582993,31.86715411,0.53854128,1.068761009,6.269506379,1.882332001,1.283945567,0.664439374,0.199488671,0.546979864,0.558601422,0.472329502,9.435783947,22.26780924,46.85581036,0.496659061,1.577910788,6.155794022,1.804955764,1.226224462,0.670056741,0.196469013,0.527310084,0.513410296,0.433522124,9.186974248,20.87260203,43.68407767,0.505085111,1.474242504 +UMLRON0277,L,"1,2,4-trimethyl-4-isopropenylcyclohexene",CC1=C(CC(CC1)(C)C(=C)C)C,252329,,UML,[1],C12H20,UML,,92.8,0,0.5524,0.30514576,33.7512,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1516.485775,813.449451,220.131072,21.337344,0,0,3885.475125,5223.921076,7758.63172,8237.925345,5757.609485,2643.963217,652.758633,0,0,167.819552,174.20624,341.883496,485.2951,497.372268,288.562176,141.087744,0,0,29.42500648,40.12790896,63.51436973,73.84555631,57.77506978,29.37664449,9.336871002,0,0,3973.037281,3464.315612,7404.551417,11080.65075,12249.43814,7257.819716,3883.270693,0,0,36.55555556,44.5,75.19444444,102.5833333,94.33333333,55,21,0,0,48.76541633,56.15943233,37.32917321,21.97805471,11.29790904,5.241216,1.016064,0,0,161.8947969,217.6633782,161.6381608,119.3902224,79.96679841,62.95150517,31.08374443,0,0,6.992481333,7.258593333,7.122572833,7.033262319,6.907948167,6.870528,6.718464,0,0,1.226041937,1.671996207,1.323216036,1.070225454,0.802431525,0.699443916,0.444612905,0,0,165.54322,144.3464838,154.2614879,160.5891412,170.1310852,172.8052313,184.917652,0,0,1.523148148,1.854166667,1.566550926,1.486714976,1.310185185,1.30952381,1,0,0,0.032199942,-0.002797727,-0.003697588,-0.018142177,0.001119485,-0.004814924,0.012232959,0,0,645.6853813,6.61E-13,-80.71067267,-403.5533633,-40.35533633,-80.71067267,282.4873543,0,0,1200.679538,0,-150.0849423,-750.4247115,-75.04247115,-150.0849423,525.297298,0,0,0.126485333,2.94E-15,-0.015810667,-0.079053333,-0.007905333,-0.015810667,0.055337333,0,0,5.367596186,1.23E-14,-0.670949523,-3.354747616,-0.335474762,-0.670949523,2.348323331,0,0,29.15686767,-1.14E-13,-3.644608459,-18.22304229,-1.822304229,-3.644608459,12.75612961,0,0,2.314814815,-0.888888889,0.342592593,-1.233796296,0.768518519,-0.939814815,0.793981481,0,0,0.001341664,-1.17E-04,-7.70E-05,-2.63E-04,1.55E-05,-1.15E-04,5.83E-04,0,0,26.90355756,2.75E-14,-1.681472347,-5.848599469,-0.560490782,-1.921682683,13.45177878,0,0,50.0283141,0,-3.126769631,-10.87572046,-1.042256544,-3.573451007,25.01415705,0,0,0.005270222,1.22E-16,-3.29E-04,-0.0011457,-1.10E-04,-3.76E-04,0.002635111,0,0,0.223649841,5.11E-16,-0.013978115,-0.048619531,-0.004659372,-0.015974989,0.111824921,0,0,1.214869486,-4.74E-15,-0.075929343,-0.264102062,-0.025309781,-0.086776392,0.607434743,0,0,0.096450617,-0.037037037,0.007137346,-0.017881106,0.010673868,-0.022376543,0.037808642,0,0,-0.086886076,-0.057416064,-0.195973098,0.011588896,-0.085446892,0.434178552,0,0,1.02E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,0,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,2.32E-14,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,2.29E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,-3.90E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,-0.384,0.074,-0.185391304,0.110666667,-0.232,0.392,0,0,1.52427482,1.164805064,1.242354694,0.820810083,0.919861694,0.002465251,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.909,0.78775,1.196,0.732166667,1.360285714,0,0,0,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,35.83226547,17.82585496,25.82505281,35.72762192,4.46595274,17.82585502,-0.180555556,0.003886333,4.86E-04,-4.440231442,56.95949686,7.119937107,3.233872347,0,11.89,12.11011416,-0.163184458,0.057757171,5.99173565,8.131494617,8,24,24,24,8,0,0,0,0,0,17.491312,3.657350533,3.042364541,2.853663763,2.228199052,2.17548746,1.377970367,1.099508061,0.848898167,2.009882053,1.585950347,1.461105401,1.122580275,1.066605404,0.622488404,0.413035098,0.330410394,3.680932934,3.078435564,2.895085076,2.297520321,2.243749091,1.481273271,1.209688389,0.983826043,1.957719315,1.506815679,1.37483188,1.009371871,0.952794097,0.47545632,0.259521562,0.166688749,3.784792767,3.239284907,3.077882533,2.587690342,2.531187307,1.901999654,1.656579633,1.505179962,1.805580128,1.271648566,1.11426999,0.642452217,0.585704835,0.021015099,0.262056834,0.403334114,3.698311237,3.105160529,2.925676806,2.347875851,2.293440723,1.555731248,1.289020676,1.079174122,1.924629286,1.45612622,1.31921624,0.934416605,0.877571657,0.376614638,0.156092313,0.055506268,3.83554735,3.318282267,3.166469981,2.719383743,2.662420938,2.08581738,1.850629028,1.722040714,1.758439799,1.19828528,1.031595087,0.516627122,0.460560939,0.199076829,0.450448455,0.616550127,3.693337584,3.202528088,2.992569805,2.501366942,2.414575883,1.676969391,1.403180493,1.232251244,1.913934192,1.349624362,1.230310518,0.753942722,0.722583699,0.2174035,7.08E-04,0.124359124,0,0,0,0,0,2,4,2,0,0,0,0,0.083333333,0.166666667,0,0,0,0.083333333,0.166666667,0.577350269,0,0,0,0.577350269,0,0,0,0.741581624,1.093412989,1.020220057,0.741581624,1.093412989,1.020220057,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,30.91733718,41.28122386,61.83467437,7.729334296,30.91733718,1.11E-16,1.39E-17,-29.38944046,4000010.293,500001.2866,12.16144599,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.741388889,0,5.899814815,0,0,0,2.025462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.472222222,0,0,0,1.012731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.476527778,0,0,0,1.012731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.370694444,0.2,1.012731481,5.7528125,0.320601852,0.370694444,1.482777778,0.320601852,0.370694444,1.482777778,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.42549,1.05319,8.42549,0,0,3.78768,0.47346,3.78768,0,0,0.12632,0.01579,0.21232,0.02654,0.25,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.605388542,3.105388542,3.105388542,3.105388542,22.03910002,34.03910002,62.52932501,74.52932501,74.52932501,74.52932501,0.200284263,0.309336409,0.568246423,0.677298569,0.677298569,0.677298569,3.666666667,3.166666667,1.979573959,1.479573959,1.479573959,1.479573959,0.200284263,0.309336409,0.568246423,0.677298569,0.677298569,0.677298569,6.73287657,12.73287657,16.67730206,17.18121457,17.18121457,17.18121457,31.59900002,23.74937501,20.87142917,19.56315834,19.56315834,19.56315834,6.125,2.52,1.8,0,0,0,2.34,1.1272,0.25,3.039342743,2.309401077,0,3.532775529,5.111544834,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,10,11,10,5,0,0,0,0,62,2.197224577,2.397895273,2.397895273,2.48490665,2.397895273,1.791759469,0,0,0,0,4.143134726,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,2,0.666666667,0.5,0.222222222,0,0,0,0,0,0,0.25,0.066666667,0.071428571,0.074074074,0,0,0,0,0,0,0.462169312,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,0,134.567877,4,3.610917913,4.343805422,5.141663557,5.888877958,6.690842277,7.44132039,8.24407127,8.995288991,9.798182591,76.15497037,2.833213344,0,4.043051268,0,5.451038454,0,6.947937069,0,8.479906607,8.727292029,112.1252005,4.671883355,15.53295821,1.941619777,0,0,0,61,7,4.43,36,1.224166127,2.094794846,2.815360989,3.489894013,4.439762854,5.234822833,0,0,0,0,78.54273178,86.43663066,67.8113012,45.08600372,24.51685715,5.318915027,0,0,0,0,289.3400736,361.1040737,354.6330967,300.4382172,288.8958816,162.7178951,0,0,0,0,8.917064339,14.96718785,19.8493851,24.17740647,30.5483984,35.16996875,0,0,0,0,2.17096299,2.906091803,3.130761575,2.946641408,3.180581352,2.327469786,0,0,0,0,174.752874,319.837531,448.5568451,588.4393715,763.6391302,968.0111471,0,0,0,0,2.316970341,3.363889538,4.261770818,4.721366424,5.924555878,5.234822833,0,0,0,0,0.449298446,0.609779712,0.667645828,0.640414087,0.702831927,0.536045858,0,0,0,0,319.7742077,131.5526727,8.141823588,80.41420178,-33.08178994,-4.13130653,239.3600059,164.6344627,12.27313012,0.799059143,0.328726844,0.020344976,0.200940857,-0.082665537,-0.010323404,127.9699316,52.64585487,3.258263432,32.18083151,-13.2389489,-1.653300989,0.072048215,0.151462109,1.219298384,1.257505672,400.1884095,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,944.3601888,30.73044401,9.810983759,1.450520005,1.450520005,381.2891891,275.4956943,155.7912984,1.384011427,2.447435723,1.768363812,3.772133311,3.780722771,6.119384403,0.618575276,4.463030408,6.04063106,10.54903683,10.27695489,18.11070208,7.982806813,8.977707478,8.889325298,6.051727121,1.418965368,2.063211621,5.11E-07,2.09E-34,1.66E-83,2.53E-154,7.43E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375119018,5.574379929,0.709898736,4.143463853,0.980576918,1.563715784,1.875205062,0.452500548,0.215868777,0.048916832,0.014531368,3.60E-09,1.48E-36,1.17E-85,1.78E-156,5.23E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.209548666,5.605536529,2.36556285,4.903279592,3.501264153,2.643424374,2.573215013,1.406741644,0.88926181,0.204144599,0.15142806,3.75E-08,1.54E-35,1.22E-84,1.85E-155,5.45E-248,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212771325,5.989441044,9.821913408,9.727356866,16.71675408,7.508268493,8.276948801,8.101173223,5.511268929,1.291073351,1.83828441,4.55E-07,1.87E-34,1.48E-83,2.25E-154,6.62E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.782358525,5.645931995,3.606852369,5.57100193,5.521412669,3.453069916,3.275590724,2.289802073,1.505279484,0.347648947,0.328921981,8.15E-08,3.34E-35,2.64E-84,4.03E-155,1.18E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389627238,6.255877998,13.3829241,12.50955793,23.66387409,9.832420878,11.87426607,12.11594233,8.260800307,1.94247179,3.009000246,7.45E-07,3.06E-34,2.42E-83,3.68E-154,1.08E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.967193635,5.314903157,6.001497642,7.323199855,9.59201458,5.152280359,5.42735884,4.72040677,3.229093153,0.767965652,0.822998542,2.04E-07,8.36E-35,6.61E-84,1.01E-154,2.96E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.058983373,1.717931863,0.67707967,0.560870229,0.314985968,0.522422968,0.507720656,0.420623378,5.453994906,8.489477195,17.5016104,0.341305344,1.450767002,2.233968092,1.169777309,0.222885384,0.615989943,0.322552082,0.279600997,0.235449416,0.046118985,3.626630785,3.371890284,7.580975225,0.423984915,0.561169398,2.561347011,1.387521326,0.403532162,0.588490653,0.318794497,0.366920236,0.331241845,0.150505751,4.3524005,5.147418981,10.93394196,0.382735979,0.848667832,3.038531807,1.704364152,0.66585856,0.561780313,0.315112129,0.515490141,0.499735204,0.406921799,5.408754519,8.33686256,17.19394188,0.34267047,1.422147145,2.707405743,1.484562455,0.483937736,0.579012021,0.317491942,0.409710374,0.379182186,0.216003492,4.675905934,6.047964516,12.66896764,0.368518031,1.004896052,3.123018961,1.760407985,0.712203533,0.55811744,0.314604045,0.544431012,0.533129594,0.464948749,5.595630479,8.975781441,18.48695561,0.337176161,1.542509355,3.054454474,1.707393034,0.667643312,0.562567389,0.314466511,0.52083036,0.501525612,0.40879914,5.42949082,8.394369934,17.30572364,0.343851083,1.431155113 +UMLRON0278,L,"trans-1,3-dimethylcyclohexane",C[C@H]1CCC[C@@H](C1)C,252362,Sandia values from independent api report ,Sandia,,C8H16,PubChem,,66.9,0,0.5622,0.31606884,44.4164,34.029446,0,0,33,11,22,0,11,0,0,0,0,0,0,0,0,0,1609.258739,1853.261267,2615.057943,2724.112286,2062.482417,1269.616157,479.541049,88.985232,6.096384,5342.528297,7182.891479,10949.52788,13162.6645,12104.21596,8665.325063,4544.88045,1444.027926,186.5024666,230.751884,239.53358,470.119452,678.83468,817.009668,745.671092,473.9761,223.705152,40.310784,40.45938391,55.17587482,88.59028873,112.9630169,112.5852466,86.49688541,49.07693125,18.01688289,2.667677429,5462.926262,4763.433967,10188.09184,15157.84261,19236.34447,18408.68577,11938.11219,5943.306995,1109.505912,50.84027778,61.875,103.6666667,149.6666667,170.5416667,142.75,87,36.5,6,48.76541633,56.15943233,39.62209005,28.37616965,17.62805485,11.75570516,6.949870275,2.696522182,1.016064,161.8947969,217.6633782,165.9019376,137.1110885,103.4548373,80.23449132,65.8678326,43.758422,31.08374443,6.992481333,7.258593333,7.123022,7.071194583,6.982988615,6.904361963,6.869218841,6.778944,6.718464,1.226041937,1.671996207,1.342277102,1.176698093,0.962267065,0.800897087,0.711259873,0.545966148,0.444612905,165.54322,144.3464838,154.3650279,157.8941939,164.4132006,170.4507941,173.0161187,180.100212,184.917652,1.540614478,1.875,1.570707071,1.559027778,1.457621083,1.321759259,1.260869565,1.106060606,1,0.043875903,-0.006096947,0.001155525,-0.012934501,-0.018074991,0.00178938,-0.001988761,0.010552293,0.003660051,887.8173993,-1.58E-12,40.35533633,-403.5533633,-443.9086997,40.35533633,1.12E-12,242.132018,80.71067267,1650.934365,5.83E-13,75.04247115,-750.4247115,-825.4671826,75.04247115,-5.47E-13,450.2548269,150.0849423,0.173917333,2.49E-15,0.007905333,-0.079053333,-0.086958667,0.007905333,-2.24E-15,0.047432,0.015810667,7.380444756,2.64E-14,0.335474762,-3.354747616,-3.690222378,0.335474762,-2.01E-14,2.01284857,0.670949523,40.09069305,-4.26E-13,1.822304229,-18.22304229,-20.04534652,1.822304229,3.64E-13,10.93382538,3.644608459,3.36026936,-1.398358586,0.710016835,0.011497551,-1.676729415,0.064623508,-0.24508341,0.615109428,0.238789409,0.001329573,-1.85E-04,1.75E-05,-1.35E-04,-1.54E-04,1.66E-05,-2.88E-05,3.20E-04,6.10E-04,26.90355756,-4.80E-14,0.61144449,-4.203680868,-3.79409145,0.373660522,1.62E-14,7.337333879,13.45177878,50.0283141,1.77E-14,1.137007139,-7.816924078,-7.055275065,0.694837696,-7.93E-15,13.64408566,25.01415705,0.005270222,7.54E-17,1.20E-04,-8.23E-04,-7.43E-04,7.32E-05,-3.24E-17,0.001437333,0.002635111,0.223649841,8.01E-16,0.005082951,-0.034945288,-0.031540362,0.003106248,-2.92E-16,0.060995411,0.111824921,1.214869486,-1.29E-14,0.02761067,-0.189823357,-0.171327748,0.016873187,5.28E-15,0.331328042,0.607434743,0.101826344,-0.042374503,0.010757831,1.20E-04,-0.014331021,5.98E-04,-0.003551933,0.01863968,0.039798235,-0.138958903,0.01316811,-0.1013366,-0.116193038,0.012461394,-0.021678103,0.240503146,0.458800393,-1.78E-15,0.022727273,-0.15625,-0.141025641,0.013888889,6.03E-16,0.272727273,0.5,3.53E-16,0.022727273,-0.15625,-0.141025641,0.013888889,-1.58E-16,0.272727273,0.5,1.43E-14,0.022727273,-0.15625,-0.141025641,0.013888889,-6.15E-15,0.272727273,0.5,3.58E-15,0.022727273,-0.15625,-0.141025641,0.013888889,-1.30E-15,0.272727273,0.5,-1.06E-14,0.022727273,-0.15625,-0.141025641,0.013888889,4.34E-15,0.272727273,0.5,-0.41614479,0.105648798,0.00117618,-0.140739813,0.005876336,-0.034882265,0.183053607,0.390844188,1.597675529,1.072280653,1.171884967,1.113816805,0.848441949,0.833755552,0.378802006,0.004555276,1.454545455,1.190082645,1.272727273,1.1002331,0.808080808,0.758893281,0.330578512,0,1.454545455,1.190082645,1.272727273,1.1002331,0.808080808,0.758893281,0.330578512,0,1.454545455,1.190082645,1.272727273,1.1002331,0.808080808,0.758893281,0.330578512,0,1.454545455,1.190082645,1.272727273,1.1002331,0.808080808,0.758893281,0.330578512,0,1.454545455,1.190082645,1.272727273,1.1002331,0.808080808,0.758893281,0.330578512,0,1.963927856,0.751503006,1.072238226,1.246056215,0.865230461,0.84534286,0.396793587,0,56.19452724,28.09726362,41.0630079,56.19452724,5.108593385,28.09726362,1.42E-14,0.018854296,0.001714027,-4.368115921,159.5976451,14.50887683,5.579921523,56.19452724,28.09726362,41.0630079,56.19452724,5.108593385,28.09726362,1.42E-14,0.018854296,0.001714027,-4.368115921,159.5976451,14.50887683,5.579921523,56.19452724,28.09726362,41.0630079,56.19452724,5.108593385,28.09726362,1.42E-14,0.018854296,0.001714027,-4.368115921,159.5976451,14.50887683,5.579921523,56.19452724,28.09726362,41.0630079,56.19452724,5.108593385,28.09726362,1.42E-14,0.018854296,0.001714027,-4.368115921,159.5976451,14.50887683,5.579921523,56.19452724,28.09726362,41.0630079,56.19452724,5.108593385,28.09726362,1.42E-14,0.018854296,0.001714027,-4.368115921,159.5976451,14.50887683,5.579921523,56.19452724,28.09726362,41.0630079,56.19452724,5.108593385,28.09726362,1.42E-14,0.018854296,0.001714027,-4.368115921,159.5976451,14.50887683,5.579921523,69.81252642,34.69136759,51.93616701,69.64114212,6.33101292,34.69136759,-0.269318182,0.011943597,0.001085782,-4.870315912,65.06268816,5.914789832,4.592886362,0,11.9,12.10019524,-0.151268311,0.048953514,5.934087939,10.24163277,11,33,33,33,11,0,0,0,0,0,24.050554,3.713355753,3.349010855,2.803997379,2.750129472,2.580109821,2.333552793,1.735195793,1.456797487,2.032765323,1.794523966,1.483412273,1.372874417,1.258052066,1.249629723,0.830889752,0.666206401,3.733980863,3.378704902,2.851707298,2.792995694,2.628665398,2.405454588,1.823508007,1.556142907,1.98414006,1.729017897,1.390033288,1.285229005,1.165322865,1.134540686,0.697483054,0.522081792,3.826161592,3.510144846,3.060452497,2.981537655,2.838214175,2.704236987,2.187406206,1.9628467,1.844866683,1.53651442,1.10152534,1.018928274,0.879091306,0.76031856,0.254902455,0.037619229,3.749253275,3.400633918,2.88687244,2.824624264,2.664259276,2.457539916,1.887365323,1.62787375,1.953512398,1.687295038,1.32928669,1.228596505,1.105068189,1.058262671,0.608379815,0.425347018,3.871975619,3.574526763,3.160121092,3.072480534,2.937303389,2.838982085,2.349072953,2.141548494,1.802568435,1.476728455,1.00794988,0.933903671,0.785837671,0.631337262,0.099242694,0.135164289,3.727923529,3.439856999,3.049586377,2.841111579,2.710772054,2.698457223,2.029168846,1.737346925,1.963330609,1.625982019,1.173365883,1.170615037,1.007463198,0.821679972,0.437908724,0.277130536,0,0,0,0,0,3,6,1,1,0,0,0,0.102062073,0.051031036,0,0,0,0.102062073,0.051031036,1.194814383,0.204124145,0.348461713,0.102062073,1.194814383,0.204124145,0.348461713,0.102062073,2.342261593,2.638227255,2.54129406,2.342261593,2.638227255,2.54129406,8.319990956,5.165831887,4.677068452,3.621574357,2.172738226,1.513420006,0.637136847,0.378355001,0.756362814,0.469621081,0.311804563,0.213033786,0.135796139,0.09458875,0.063713685,0.047294375,8.319990956,5.165831887,4.677068452,3.621574357,2.172738226,1.513420006,0.637136847,0.378355001,0.756362814,0.469621081,0.311804563,0.213033786,0.135796139,0.09458875,0.063713685,0.047294375,16.96010584,31.76620539,29.98039216,30.36,19.7840994,253.310806,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,4.0029,50.647,45.93735134,66.50730663,91.87470267,8.352245698,45.93735134,0.321355996,0.029214181,-1.248726322,42.4755007,3.861409155,4.123820201,99,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,3,0,6,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,7.195018896,0,8.761740363,0,0,0,1.015046296,0,0,0,0,0,0.611527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.327981859,0,1.344907407,0,0,0,1.015046296,0,0,0,0,0,0.611527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.433518519,0,1.486944444,0,0,0,1.015046296,0,0,0,0,0,0.611527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.58333333,1.598484848,0.2,2.433518519,0,0.611527778,7.912626,0.638472222,0.433518519,2.390037793,0.638472222,0.433518519,2.390037793,5.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.27273,0.09091,0.09091,5.5,0.5,5.5,0.5,0,0,-5.5,-0.5,0,0,14.18916,1.28992,14.18916,0,0,5.16583,0.46962,5.16583,0,0,0.24817,0.02256,0.33417,0.03038,0.181818182,11,0,0,0,0,0,0,1,0.918295834,1.457359025,2.527465331,3.247902831,3.400010407,2.840483333,30.30376252,48.09284782,83.40635591,107.1807934,112.2003434,93.73594999,0.18204284,0.288906654,0.501044381,0.643863813,0.674017598,0.563097027,4.126098285,3.587035094,2.516928789,1.796491288,1.644383712,2.203910786,0.18204284,0.288906654,0.501044381,0.643863813,0.674017598,0.563097027,6.73287657,13.20163486,17.19633464,19.09150234,17.2462229,14.84703233,43.44862503,32.17276112,28.13690041,23.66238858,26.30967147,32.05020846,9.090909091,3.6,2.214532872,5,0,4,2.67,1.5499,1.144714243,5.206595347,1.310370697,2.381101578,6.945629182,3.532775529,2.620741394,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.14,0.131,0.159,0.212,4.979,15,17,16,16,10,8,2,0,0,106,2.48490665,2.772588722,2.890371758,2.833213344,2.833213344,2.397895273,2.197224577,1.098612289,0,0,4.672828834,1,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.181818182,5,0.454545455,1,3,6,1,3,1.777777778,0.6875,0.248888889,0.215277778,0.04,0,0,0,0,0.272727273,0.118518519,0.049107143,0.027654321,0.043055556,0.04,0,0,0,0,0.551062811,28.09726362,41.0630079,56.19452724,5.108593385,28.09726362,0.018854296,0.001714027,-4.368115921,159.5976451,14.50887683,5.579921523,0,186.4558309,4.459431619,3.970291914,4.762173935,5.609471795,6.428105273,7.278628942,8.103796713,8.954286157,9.781828264,10.63183294,87.52041594,3.135494216,0,4.418840608,0,5.932245187,0,7.527793988,0,9.159362817,9.380251909,154.1721507,4.671883355,21.29089635,1.935536032,0,0,0,150,14,6.174,52,1.23112082,2.111884478,2.872137528,3.517525999,4.024720167,4.975772755,5.819038997,7.033430929,0,0,79.5460444,93.95385715,86.83283909,68.5735205,55.15622163,37.83353435,16.75312331,7.146415963,0,0,292.2855035,378.1502207,411.54469,379.7447956,353.6873426,342.9517238,262.6416514,218.6253695,0,0,8.96950631,15.09965195,20.35978516,24.58698971,27.89158562,34.23800527,39.48515947,47.25385249,0,0,2.190358932,2.999540281,3.495584675,3.472594655,3.436653833,3.649923688,3.241047887,3.127154156,0,0,175.6346898,322.0202078,449.7242661,576.7645892,678.079255,856.3421276,1044.965804,1300.605533,0,0,2.352234177,3.423188182,4.565502509,5.171264671,5.516037028,6.389248265,6.508154314,7.033430929,0,0,0.453210461,0.627901307,0.740485681,0.745738633,0.74592979,0.803346418,0.730362816,0.720223327,0,0,377.0703127,211.4014376,9.576060416,91.4841271,-51.28983993,-4.981879949,285.5861857,262.6912775,14.55794037,0.804752406,0.451177963,0.020437455,0.195247594,-0.109463993,-0.010632446,176.6779692,99.05308217,4.486905624,42.86529393,-24.03208222,-2.334281969,0.054569794,0.115550831,0.578246697,0.91574729,468.5544398,0,1,0,744.9667435,27.29407891,9.065232808,958.0815373,30.95289223,9.858272615,1446.991154,38.03933693,11.31067765,1.508605304,1.453219542,696.0412498,638.5785015,260.7322648,1.08998541,2.669563164,2.4491733,4.457837923,4.466158665,7.285318514,0.63122698,6.136472113,9.688762584,10.30443224,29.0475997,22.56783917,22.60779744,19.71546776,19.94515257,16.96762355,12.66668208,7.911347374,3.407279662,3.240636014,0.009974898,6.57E-23,8.36E-65,2.05E-128,9.70E-214,8.85E-321,0,0,0,0,0,0,0,0,0,0,0,0.515556442,8.454499814,0.675972923,11.26178518,2.048420538,3.142691652,2.148117476,3.731905489,0.98529156,0.757063251,0.665971593,0.15025819,0.022825347,7.03E-05,4.63E-25,5.88E-67,1.44E-130,6.83E-216,6.4E-323,0,0,0,0,0,0,0,0,0,0,0,1.662899729,8.584489216,2.282110959,13.54545342,4.845227507,5.723299413,4.19330771,6.107858662,3.130083035,2.64503093,1.414671623,0.574462541,0.237847643,7.32E-04,4.82E-24,6.13E-66,1.50E-129,7.12E-215,6.47E-322,0,0,0,0,0,0,0,0,0,0,0,5.79236176,9.570060052,9.587899137,27.48231318,20.81933757,20.92348937,18.09496545,18.62234209,15.59384687,11.74547439,7.209457483,3.122762635,2.887349228,0.008887455,5.85E-23,7.44E-65,1.83E-128,8.64E-214,7.885E-321,0,0,0,0,0,0,0,0,0,0,0,2.45051654,8.709932328,3.491338909,15.51301159,7.178355673,7.908307992,6.054726617,8.016056317,4.934236858,4.102301201,2.145452797,0.937111529,0.516633708,0.001590221,1.05E-23,1.33E-65,3.27E-129,1.55E-214,1.413E-321,0,0,0,0,0,0,0,0,0,0,0,7.410560046,10.17724896,13.10172808,35.38412626,29.60074309,29.4034199,26.33431237,25.21789517,22.50299024,16.29562527,10.80344764,4.557370634,4.726158883,0.014547452,9.58E-23,1.22E-64,2.99E-128,1.41E-213,1.2905E-320,0,0,0,0,0,0,0,0,0,0,0,4.075545161,8.07063627,5.342524758,20.45254108,12.20583858,12.91612304,10.35989691,12.01868728,9.126391171,7.197831608,4.00036431,1.805783585,1.268280868,0.003903835,2.57E-23,3.27E-65,8.02E-129,3.80E-214,3.463E-321,0,0,0,0,0,0,0,0,0,0,0,4.22880747,1.634392847,1.206076074,0.598195238,0.231196626,0.537452897,0.543077236,0.414050947,7.069276391,13.9829983,29.38810889,0.397292856,1.49458108,3.495373228,1.031858696,0.659681164,0.67388313,0.198935027,0.36697137,0.216013837,0.124138069,5.186913088,6.593260886,14.15946665,0.510824695,0.707123277,3.78662799,1.271188381,0.876710322,0.638067395,0.214202151,0.430773116,0.328124673,0.219064679,5.934526693,9.247757323,19.4023445,0.457101093,0.977962467,4.210645652,1.619478028,1.192550699,0.599578654,0.230607022,0.532837892,0.533185246,0.404837332,7.022674379,13.77176619,28.92650117,0.399367981,1.47086047,3.916470273,1.377857664,0.973440911,0.624858761,0.21983224,0.460870547,0.385646044,0.269969189,6.267768848,10.55005399,22.07083958,0.437288141,1.11648578,4.285668525,1.681086465,1.248419857,0.593979857,0.232993171,0.552030872,0.574636209,0.443563235,7.215174847,14.65359476,30.86310954,0.390969786,1.570230316,4.220012365,1.62359879,1.197695583,0.599322331,0.230582028,0.53520017,0.536021136,0.40837861,7.041306738,13.85047424,29.09792038,0.398983496,1.479599916 +UMLRON0279,L,tert-amylcyclohexane,CCC(C)(C)C1CCCCC1,252363,,UML,[1],C11H22,PubChem,,90.4,0,1.5646,2.44797316,40.3153,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,2348.706878,2108.61673,1042.553739,266.698656,27.433728,0,0,4371.159516,5876.91121,9347.561072,10803.95123,8164.789769,3557.278827,839.2610996,0,0,188.796996,195.98202,384.684152,540.378856,699.392748,450.603648,181.398528,0,0,33.10313229,45.14389758,74.22133273,93.3557476,82.70960931,41.38521701,12.00454843,0,0,4469.666941,3897.355064,8345.154354,11755.57296,17039.73817,11632.25316,4992.776605,0,0,43.61805556,52.54166667,86.15277778,129,141.25,84,27,0,0,48.76541633,56.15943233,43.49457181,27.74495697,10.32231425,4.040888727,1.016064,0,0,161.8947969,217.6633782,173.1029828,142.1572531,80.83950266,53.89816405,31.08374443,0,0,6.992481333,7.258593333,7.123780593,7.110248105,6.924680673,6.827328,6.718464,0,0,1.226041937,1.671996207,1.374469125,1.2283651,0.818907023,0.627048743,0.444612905,0,0,165.54322,144.3464838,154.5398954,154.6785916,168.7102789,176.2462599,184.917652,0,0,1.615483539,1.945987654,1.595421811,1.697368421,1.398514851,1.272727273,1,0,0,0.034783716,-0.007174393,0.012994021,-0.028954172,-0.012872209,0.003915373,0.014699522,0,0,726.396054,6.32E-13,242.132018,-753.2996116,-376.6498058,161.4213453,363.198027,0,0,1350.764481,-7.53E-13,450.2548269,-1400.792795,-700.3963974,300.1698846,675.3822403,0,0,0.142296,2.05E-15,0.047432,-0.147566222,-0.073783111,0.031621333,0.071148,0,0,6.038545709,1.73E-14,2.01284857,-6.26219555,-3.131097775,1.341899046,3.019272855,0,0,32.80147613,-1.98E-13,10.93382538,-34.01634562,-17.00817281,7.289216918,16.40073807,0,0,3.488168724,-2.014660494,1.829218107,-1.767365874,-0.31273815,-0.775091449,1.296553498,0,0,0.001288286,-2.66E-04,2.41E-04,-3.81E-04,-1.27E-04,5.93E-05,5.44E-04,0,0,26.90355756,2.34E-14,4.483926259,-9.911836994,-3.729205998,2.44577796,13.45177878,0,0,50.0283141,-2.79E-14,8.33805235,-18.43148414,-6.934617796,4.548028554,25.01415705,0,0,0.005270222,7.59E-17,8.78E-04,-0.001941661,-7.31E-04,4.79E-04,0.002635111,0,0,0.223649841,6.39E-16,0.037274974,-0.08239731,-0.031000968,0.020331804,0.111824921,0,0,1.214869486,-7.34E-15,0.202478248,-0.447583495,-0.168397751,0.110442681,0.607434743,0,0,0.129191434,-0.074617055,0.033874409,-0.023254814,-0.003096417,-0.01174381,0.0480205,0,0,-0.206257239,0.186783111,-0.295723166,-0.09892806,0.04604866,0.422597797,0,0,8.71E-16,0.166666667,-0.368421053,-0.138613861,0.090909091,0.5,0,0,-5.58E-16,0.166666667,-0.368421053,-0.138613861,0.090909091,0.5,0,0,1.44E-14,0.166666667,-0.368421053,-0.138613861,0.090909091,0.5,0,0,2.86E-15,0.166666667,-0.368421053,-0.138613861,0.090909091,0.5,0,0,-6.04E-15,0.166666667,-0.368421053,-0.138613861,0.090909091,0.5,0,0,-0.57756968,0.262203215,-0.180002755,-0.023967667,-0.090902388,0.371700339,0,0,1.654231547,0.83369504,1.47546226,0.996203029,0.735819764,1.76E-05,0,0,1.444444444,1.043209877,1.539473684,0.98679868,0.590909091,0,0,0,1.444444444,1.043209877,1.539473684,0.98679868,0.590909091,0,0,0,1.444444444,1.043209877,1.539473684,0.98679868,0.590909091,0,0,0,1.444444444,1.043209877,1.539473684,0.98679868,0.590909091,0,0,0,1.444444444,1.043209877,1.539473684,0.98679868,0.590909091,0,0,0,2.124170476,0.513788527,1.352289485,0.950939652,1.016422893,0,0,0,36.2398788,18.1199394,24.91691897,36.2398788,4.0266532,18.11993945,3.55E-15,0.050633264,0.005625918,-2.684831867,38.73823212,4.304248013,3.29114432,36.2398788,18.1199394,24.91691897,36.2398788,4.0266532,18.11993945,3.55E-15,0.050633264,0.005625918,-2.684831867,38.73823212,4.304248013,3.29114432,36.2398788,18.1199394,24.91691897,36.2398788,4.0266532,18.11993945,3.55E-15,0.050633264,0.005625918,-2.684831867,38.73823212,4.304248013,3.29114432,36.2398788,18.1199394,24.91691897,36.2398788,4.0266532,18.11993945,3.55E-15,0.050633264,0.005625918,-2.684831867,38.73823212,4.304248013,3.29114432,36.2398788,18.1199394,24.91691897,36.2398788,4.0266532,18.11993945,3.55E-15,0.050633264,0.005625918,-2.684831867,38.73823212,4.304248013,3.29114432,36.2398788,18.1199394,24.91691897,36.2398788,4.0266532,18.11993945,3.55E-15,0.050633264,0.005625918,-2.684831867,38.73823212,4.304248013,3.29114432,46.94398114,23.30362637,32.42432312,46.68208128,5.18689792,23.30362637,-0.336728395,0.0302142,0.003357133,-3.149498952,41.50741997,4.611935552,3.353284985,0,11.89,12.11013444,-0.156662107,0.065178775,6.130554251,9.653311194,9,27,27,27,9,0,0,0,0,0,19.677726,3.754847789,3.042450648,2.848289381,2.333552793,2.253935042,2.137789333,1.470640813,0.911232329,1.89089223,1.815722592,1.441566972,1.249629723,1.153475596,1.063246691,0.487084978,0.369849146,3.773899287,3.078445809,2.892395212,2.405454588,2.324231019,2.204914306,1.554291534,1.039069824,1.838183287,1.754925806,1.344883517,1.134540686,1.039457309,0.948543316,0.342211009,0.21226765,3.859171839,3.239714181,3.086814462,2.704236987,2.61816053,2.489324561,1.904171466,1.540519967,1.689999688,1.578124352,1.043621729,0.76031856,0.669574795,0.578041737,0.141918365,0.325363808,3.788010164,3.105161818,2.924971156,2.457539916,2.375273411,2.253881136,1.615073185,1.129958931,1.805213161,1.716374165,1.281797368,1.058262671,0.963936796,0.872679337,0.245165979,0.105913874,3.90169113,3.319216945,3.180646233,2.838982085,2.751430836,2.620066527,2.062446305,1.751688076,1.645997855,1.523742965,0.944837697,0.631337262,0.542615301,0.451651685,0.313226822,0.520058135,3.739604401,3.181169051,3.03163375,2.663154321,2.518508912,2.310940629,1.65930478,1.241229108,1.811486047,1.718720377,1.119688342,0.853098455,0.805375486,0.751174499,0.136295407,0.025916255,0,0,0,0,0,4,2,2,1,0,0,0.083333333,0.333333333,0.5,0,0,0.083333333,0.333333333,0.5,1.543276095,0.204124145,0.49279928,0.144337567,1.543276095,0.204124145,0.49279928,0.144337567,2.610990332,3.212925398,3.219295479,2.610990332,3.212925398,3.219295479,7.068914101,4.021673935,4.434626887,2.964543723,2.10521467,1.020220057,0.166666667,0,0.7854349,0.446852659,0.316759063,0.197636248,0.131575917,0.092747278,0.083333333,0,7.068914101,4.021673935,4.434626887,2.964543723,2.10521467,1.020220057,0.166666667,0,0.7854349,0.446852659,0.316759063,0.197636248,0.131575917,0.092747278,0.083333333,0,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.0786,41.343,31.43452312,42.94651388,62.86904623,6.985449581,31.43452312,0.077898451,0.008655383,-2.297114287,50.50390591,5.611545101,3.52984561,58,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,2,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.524884259,0,2.862268519,0,0,0,1.905092593,0,0,0,0,0,0.624421296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.366319444,0,1.424768519,0,0,0,0.9375,0,0,0,0,0,0.624421296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.390046296,0,1.4375,0,0,0,0.967592593,0,0,0,0,0,0.624421296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.91666667,1.657407407,0.2,2.390046296,0,0.624421296,6.457010995,0.625578704,0.390046296,3.049768519,0.625578704,0.390046296,3.049768519,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.44444,0.22222,0.11111,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,11.11891,1.23543,11.11891,0,0,4.02166,0.44685,4.02166,0,0,0.39234,0.04359,0.47834,0.05315,0.185185185,9,0,0,0,0,0,0,1,0.918295834,1.530493057,2.643052317,3.281760187,3.250102669,3.095850927,24.79398752,41.32331253,71.36241255,88.60752505,87.75277208,83.58797504,0.193126721,0.321877869,0.555860116,0.690186715,0.683528825,0.651088154,3.836591668,3.224394445,2.111835186,1.473127315,1.504784833,1.659036575,0.193126721,0.321877869,0.555860116,0.690186715,0.683528825,0.651088154,6.73287657,14.07924324,18.45744905,18.79382684,15.97123109,18.60646284,35.54887502,24.5467028,20.38696946,19.93093983,24.21429764,20.28025742,7.111111111,2,1.28,0,0,0,2.45,1.2681,1.853144012,3.435783338,3.883934174,2.555772417,0.5,3.363585661,1.414213562,0.5,1.414213562,0,0,0,0,0,0,0,0,0,0,0.003,0.158,0.151,0.12,0.197,3.753,14,15,16,11,2,0,0,0,0,76,2.302585093,2.708050201,2.772588722,2.833213344,2.48490665,1.098612289,0,0,0,0,4.343805422,1,0.25,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.444444444,0,3,4,0.333333333,4,1.777777778,1.263888889,0,0,0,0,0,0,0,0.444444444,0.126984127,0.126388889,0,0,0,0,0,0,0,0.69781746,18.1199394,24.91691897,36.2398788,4.0266532,18.11993945,0.050633264,0.005625918,-2.684831867,38.73823212,4.304248013,3.29114432,0,151.8638616,4.169925001,3.850147602,4.65396035,5.556828062,6.388561406,7.284134806,8.127109185,9.016148643,9.86562991,10.74972056,83.49224052,2.944438979,0,4.317488114,2.397895273,5.855071922,4.844187086,7.461065514,6.968850378,9.101529466,9.421735176,126.1408506,4.671883355,17.10567265,1.900630294,0,0,0,79,10,4.975,46,1.322351022,2.334568432,3.319959835,3.998001311,4.830412987,5.923558761,0,0,0,0,92.70728943,121.7693809,104.4334686,48.20850366,21.85690383,6.018714809,0,0,0,0,330.9230363,458.9781164,505.1777029,349.660319,277.982566,184.1263866,0,0,0,0,9.657429115,16.7435167,23.67308647,27.77164454,33.06294962,39.79721629,0,0,0,0,2.444790845,3.534719621,4.274883519,3.455750656,3.169900328,2.633690668,0,0,0,0,187.2021646,352.8626246,508.8006032,667.8697122,844.6405184,1095.370578,0,0,0,0,2.604010113,3.938436683,5.778749386,5.766997054,6.358576219,5.923558761,0,0,0,0,0.50452745,0.736110419,0.904093648,0.751141292,0.704909551,0.606572417,0,0,0,0,347.9576972,156.3918672,8.558124993,39.34226298,-17.6826379,-2.299740758,308.6154342,174.0745051,10.85786575,0.89841914,0.40380037,0.022096891,0.10158086,-0.045656183,-0.00593788,134.7640023,60.57056393,3.314561469,15.23725688,-6.848484956,-0.890689504,0.067498098,0.138809875,0.616690022,1.357634231,387.2999602,0,1,0,464.5052698,21.55238432,7.744562373,638.8719193,25.2759158,8.612672499,827.6360295,28.76866402,9.388865757,1.105621167,1.05728568,601.3231595,509.2087514,253.3001954,1.180897143,2.373954582,2.010297507,4.60926743,4.528863511,7.72856719,0.706513604,5.020209962,5.389901783,3.988111833,10.15087829,12.2681444,17.11086882,13.31780958,14.83307727,9.93162161,8.831867371,5.238207193,2.138831889,3.334641687,0.005387436,6.31E-04,1.43E-26,6.23E-71,5.24E-137,8.51E-225,0,0,0,0,0,0,0,0,0,0,0,0.421311435,5.389573824,0.783158403,4.072489316,1.516377006,4.600208289,0.868066329,0.721494668,0.778989189,0.295558337,0.92113122,0.016887674,0.057043502,3.79E-05,4.45E-06,1.01E-28,4.39E-73,3.69E-139,5.99E-227,0,0,0,0,0,0,0,0,0,0,0,1.360044669,5.389596447,1.170725412,4.924231936,2.924875693,6.337333104,2.31645237,2.548536097,1.856323652,1.24774264,1.36469168,0.161663612,0.33095915,3.95E-04,4.63E-05,1.05E-27,4.57E-72,3.85E-138,6.24E-226,0,0,0,0,0,0,0,0,0,0,0,4.738668689,5.389866027,3.697581201,9.641153252,11.33180933,16.05610053,12.16902331,13.59650644,9.091505213,8.029713419,4.819093961,1.906916436,2.994211931,0.004800109,5.63E-04,1.27E-26,5.55E-71,4.67E-137,7.58E-225,0,0,0,0,0,0,0,0,0,0,0,2.004455605,5.389625137,1.515946667,5.624424585,4.125194922,7.772270689,3.635220293,4.115528952,2.830718411,2.136031378,1.799128419,0.346667248,0.636310592,8.59E-04,1.01E-04,2.28E-27,9.93E-72,8.36E-138,1.36E-225,0,0,0,0,0,0,0,0,0,0,0,6.062630571,5.390051975,5.170915722,12.19440695,16.05075564,21.34419643,18.01022817,19.83468108,13.35988501,12.11930999,6.965786933,3.11333688,4.753806746,0.00785707,9.21E-04,2.08E-26,9.09E-71,7.65E-137,1.24E-224,0,0,0,0,0,0,0,0,0,0,0,3.316619471,4.729737399,1.806199746,6.446309363,6.414387872,10.90512435,6.53064183,7.367789042,5.155644389,4.145924115,3.224010759,0.787242041,1.372818584,0.001961208,2.30E-04,5.20E-27,2.27E-71,1.91E-137,3.10E-225,0,0,0,0,0,0,0,0,0,0,0,4.291146476,2.004800163,1.216479851,0.571206451,0.26686453,0.472527795,0.419468714,0.458667319,7.512426489,16.26178338,34.23945362,0.356809677,1.350663828,3.397790145,1.369935174,0.641429175,0.6281555,0.253262349,0.297132767,0.192776323,0.129896263,5.409154494,7.712910351,16.10775873,0.44223325,0.619805353,3.752110994,1.622248241,0.870146626,0.600865958,0.259788088,0.361788383,0.272150449,0.237300383,6.244505861,10.76333601,22.30429861,0.401298936,0.871239216,4.268982955,1.989098514,1.202273931,0.572222465,0.266622487,0.467678966,0.41277793,0.448219937,7.460355401,16.01535586,33.68473337,0.358333697,1.328676833,3.910264681,1.734641672,0.971949995,0.590955051,0.262154954,0.392727655,0.312045593,0.295105684,6.616856347,12.26947476,25.47897857,0.386432577,0.999878932,4.360548099,2.053953137,1.260945929,0.568116489,0.267600453,0.487875511,0.440771749,0.492116158,7.675447165,17.04470067,36.01363534,0.352174734,1.420763418,4.285304123,1.994439004,1.206117932,0.572453067,0.266427467,0.471211955,0.415150256,0.451037398,7.485861058,16.12088847,33.91517135,0.358679601,1.33739961 +UMLRON0280,L,"1,1,2,4-tetramethylcyclopentane",CC1CC(C(C1)(C)C)C,522010,,UML,[1],C9H18,PubChem,,96.2,0,-0.0056,3.14E-05,27.9392,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,803.11258,619.564683,443.973938,275.495641,84.835296,9.144576,0,2914.106344,3494.423905,4007.996657,3405.28699,2534.710644,1881.72051,1061.424631,279.7536999,0,125.864664,123.114164,212.027152,236.482284,167.677256,145.901476,123.32736,60.466176,0,22.06875486,27.30703172,34.75630082,31.51473972,23.38646077,18.37047215,12.01662072,4.001516144,0,2979.777961,2471.442353,4742.724499,5667.698821,3940.235805,3507.196353,3137.747111,1664.258868,0,32.5,38,54,54.25,38,31,24,9,0,48.76541633,50.97680359,26.77041933,18.22249068,18.49891408,13.11884005,4.713072,1.016064,0,161.8947969,205.5543474,133.5998886,100.1554997,105.6129435,89.60573856,58.96803508,31.08374443,0,6.992481333,7.242009647,7.067571733,6.955361294,6.986552333,6.947689333,6.85152,6.718464,0,1.226041937,1.606295984,1.158543361,0.926904109,0.974435865,0.874784388,0.66759004,0.444612905,0,165.54322,145.3789619,158.0908166,166.6970241,164.1764919,167.0093502,174.3192839,184.917652,0,1.805555556,2.235294118,1.8,1.595588235,1.583333333,1.476190476,1.333333333,1,0,0.039464444,-0.004186059,-0.0152022,-0.003379639,-0.004406006,0.002692398,-1.24E-04,0.0048733,0,484.264036,-53.80711511,-161.4213453,13.45177878,-80.71067267,-80.71067267,-2.74E-13,121.066009,0,900.5096538,-100.0566282,-300.1698846,25.01415705,-150.0849423,-150.0849423,-1.49E-13,225.1274134,0,0.094864,-0.010540444,-0.031621333,0.002635111,-0.015810667,-0.015810667,-6.81E-16,0.023716,0,4.025697139,-0.447299682,-1.341899046,0.111824921,-0.670949523,-0.670949523,-1.78E-15,1.006424285,0,21.86765075,-2.429738973,-7.289216918,0.607434743,-3.644608459,-3.644608459,-3.55E-14,5.466912688,0,3.111111111,-0.688271605,-0.518518519,-0.12654321,-0.759259259,0.12037037,-0.277777778,0.694444444,0,0.002192469,-2.46E-04,-5.07E-04,-9.94E-05,-1.84E-04,1.28E-04,-6.89E-06,5.41E-04,0,26.90355756,-3.165124418,-5.380711511,0.395640552,-3.362944694,-3.843365365,-1.52E-14,13.45177878,0,50.0283141,-5.885684011,-10.00566282,0.735710501,-6.253539262,-7.146902014,-8.29E-15,25.01415705,0,0.005270222,-6.20E-04,-0.001054044,7.75E-05,-6.59E-04,-7.53E-04,-3.78E-17,0.002635111,0,0.223649841,-0.026311746,-0.044729968,0.003288968,-0.02795623,-0.031949977,-9.87E-17,0.111824921,0,1.214869486,-0.142925822,-0.242973897,0.017865728,-0.151858686,-0.173552784,-1.97E-15,0.607434743,0,0.172839506,-0.040486565,-0.017283951,-0.003721859,-0.031635802,0.005731922,-0.015432099,0.077160494,0,-0.11231117,-0.231127546,-0.045337531,-0.083733706,0.05847719,-0.003142482,0.246971662,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-5.65E-16,0.5,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-1.66E-16,0.5,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-7.18E-15,0.5,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-4.41E-16,0.5,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-1.62E-15,0.5,0,-0.234243697,-0.1,-0.021533613,-0.183035714,0.033163265,-0.089285714,0.446428571,0,1.398348862,1.285837066,1.15119283,1.184761504,0.647024435,0.527256219,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.607142857,1.138392857,1.004464286,1.081473214,0.715561224,0.910714286,0,0,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,23.18733663,11.53811276,18.27367927,23.11326256,3.852210426,11.53813808,-0.111111111,1.11E-16,1.85E-17,-22.04208034,32.04937936,5.341563227,2.080366691,0,11.89,12.11007471,-0.160379043,0.061014257,5.123186858,6.731390504,5,17,16,16,4,1,1,0,0,1,13.118484,3.489144524,3.014912052,2.504383072,1.782561578,1.406975249,0.752169233,0.083923071,0.083923071,1.860497646,1.621651493,1.229175443,0.852171619,0.622414124,0.260696959,0.083923071,0.083923071,3.512714551,3.057830648,2.557249633,1.867645456,1.509042223,0.888243438,0.270913902,0.270913902,1.803408681,1.537703988,1.132347359,0.720700548,0.47943536,0.093646601,0.270913902,0.270913902,3.618949941,3.243979352,2.78443186,2.220702445,1.921270315,1.418282275,0.943918427,0.943918427,1.640660717,1.280475253,0.828427333,0.286568306,0.003665697,0.488360286,0.943918427,0.943918427,3.530218238,3.08934128,2.595977363,1.929323787,1.582344855,0.984772273,0.399277246,0.399277246,1.767495391,1.483314233,1.069004016,0.633028072,0.383319759,0.019847148,0.399277246,0.399277246,3.672201441,3.332552334,2.890842505,2.378633231,2.100399324,1.63963836,1.207644823,1.207644823,1.591633238,1.197304943,0.727877696,0.134833631,0.177407915,0.705843336,1.207644823,1.207644823,3.555702998,3.108286018,2.699018115,1.985426676,1.636728454,1.112316198,0.545454545,0.545454545,1.739053094,1.446146758,0.951716906,0.552227846,0.293108818,0.157502236,0.545454545,0.545454545,0,0,0,2,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.568914101,2.564043477,1.287901102,0.638071187,0.333333333,0.166666667,0,0,0.761485683,0.512808695,0.321975275,0.212690396,0.166666667,0.166666667,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,4,2,0,2,0,0,0,0,0,0,0,0,2,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.632638889,0,0,1.067361111,0.580555556,0,0.632638889,0,0,0,0,0,0,0,0,4.29,0,2.348888889,0,4.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.243402778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.145,0,1.174444444,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.290277778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.145,0,1.174444444,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.316319444,2.180555556,0.243402778,1.174444444,4.206555556,0.325555556,0.180555556,1.302222222,0.325555556,0.180555556,1.302222222,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.33333,0,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.27843,0.71307,5.31294,1.03452,0.17242,2.37132,0.39522,2.91421,0.54289,0.09048,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.879964949,2.419381946,2.419381946,2.419381946,2.067168057,16.52932501,33.83936908,43.54887502,43.54887502,43.54887502,37.20902502,0.220218789,0.450839031,0.580197952,0.580197952,0.580197952,0.49573267,3.251629167,2.289960053,1.750543056,1.750543056,1.750543056,2.102756945,0.220218789,0.450839031,0.580197952,0.580197952,0.580197952,0.49573267,6.73287657,13.50946582,14.05310377,14.05310377,14.05310377,9.826537102,23.69925001,18.09522171,18.48287501,18.48287501,18.48287501,14.25630834,6,5,5.333333333,6,2,6,2.12,0.911,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,2.708,4,3,2,1,0,0,0,0,0,21,1.945910149,1.945910149,1.945910149,1.609437912,1.098612289,0,0,0,0,0,3.433987204,1.428571429,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,109.6959078,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,84.09390038,4.671883355,10.83915043,1.806525072,0,0,0,35,3,3.238,18,1.206606141,2.09784649,2.88748451,3.72540674,5.026525694,5.882572211,7.071014768,0,0,0,71.99220307,64.08960883,64.02764621,86.60096932,75.59363559,30.59592911,7.184603549,0,0,0,272.5169522,303.7920316,319.4016052,455.1554259,483.2647669,368.5375055,219.7936159,0,0,0,8.771798341,14.88350424,20.14233205,26.21272966,35.01855468,40.40788691,47.50635816,0,0,0,2.071063202,2.57665677,2.853500302,4.040881604,4.613807735,4.100301391,3.143864416,0,0,0,173.32668,327.5120314,477.2459668,597.6562967,832.2717234,1017.215523,1307.555448,0,0,0,2.797377663,3.930517025,4.784929305,6.313793175,7.665357977,8.102282425,7.071014768,0,0,0,0.429617738,0.545622487,0.611132516,0.862806855,0.997489642,0.90780752,0.724071912,0,0,0,340.0158819,127.5932468,9.855789399,120.8571676,-45.35246507,-7.23344735,219.1587143,172.9457119,17.08923675,0.737764732,0.276851178,0.021385042,0.262235268,-0.098405548,-0.015695097,156.7041564,58.80428874,4.542267715,55.69981136,-20.90172888,-3.333700938,0.15159456,0.235036811,3.393825156,2.557490396,460.8730495,0,1,0,332.6598227,18.23896441,6.928939733,452.9289917,21.28212846,7.679684411,470.4497698,21.68985407,7.777459414,1.969726476,1.969726476,436.2861893,417.6411261,31.33269173,1.044643743,13.92431244,13.32924505,3.654542824,4.621652351,8.038734117,0.739363653,4.94109611,4.005250566,2.320986279,13.75260872,6.357324146,1.502122487,3.752192015,4.330730967,8.22307244,0.176270249,1.84982551,3.972730669,0.587337696,0.00229699,0.860679414,5.75E-10,7.41E-41,1.84E-93,8.83E-168,8.16E-264,0,0,0,0,0,0,0,0,0,0,0.414679705,4.000778464,0.191137415,4.10487374,0.052496495,0.122678848,0.595496012,0.065676893,2.105924122,0.001242258,0.114834862,0.221651168,0.045535858,1.62E-05,0.006061835,4.05E-12,5.22E-43,1.30E-95,6.22E-170,5.75E-266,0,0,0,0,0,0,0,0,0,0,1.338617793,4.001077408,0.619417908,4.836898857,0.486429242,0.395573753,1.239831012,0.408223044,2.802717917,0.012939222,0.393406998,0.786655318,0.149469792,1.69E-04,0.063168999,4.22E-11,5.44E-42,1.35E-94,6.48E-169,5.99E-265,0,0,0,0,0,0,0,0,0,0,4.663992141,4.004759607,2.188310624,12.72427146,5.669577961,1.414603611,3.558936411,3.882823534,7.65335996,0.15705415,1.716874183,3.672101466,0.551813111,0.002046614,0.766849863,5.12E-10,6.60E-41,1.64E-93,7.87E-168,7.27E-264,0,0,0,0,0,0,0,0,0,0,1.972872325,4.001464905,0.915339246,5.706786167,1.037588872,0.58548451,1.682150932,0.800156931,3.444899688,0.02810382,0.607078247,1.234096372,0.222794485,3.66E-04,0.137211508,9.17E-11,1.18E-41,2.94E-94,1.41E-168,1.30E-264,0,0,0,0,0,0,0,0,0,0,5.967087381,4.007314959,2.814822177,18.05706538,9.246374923,1.829651617,4.467736133,6.201232361,10.5541247,0.257071074,2.372441652,5.16643002,0.721544155,0.003349767,1.255220038,8.39E-10,1.08E-40,2.69E-93,1.29E-167,1.19E-263,0,0,0,0,0,0,0,0,0,0,2.70454378,3.596584944,1.307824162,7.254788371,1.921280994,0.875865623,2.256826109,1.424216478,3.991480188,0.052446993,0.744870911,1.926925926,0.334957333,6.84E-04,0.256069908,1.71E-10,2.20E-41,5.48E-94,2.63E-168,2.43E-264,0,0,0,0,0,0,0,0,0,0,6.313323884,0.789171353,0.349697732,0.847176651,0.105897869,0.614126599,0.59436928,0.444444429,7.452192969,7.466020823,16.66051082,0.770764977,1.652940309,4.890680672,0.297068242,0.075389316,0.9292328,0.056443177,0.369246764,0.08488532,0.020656248,5.26313823,1.843966753,7.216635551,0.893849199,0.474788333,5.455469703,0.4927543,0.184335715,0.889590963,0.08035051,0.459026256,0.232945265,0.123495409,6.132559718,3.78467628,10.4127684,0.834386444,0.81546693,6.278081533,0.77700998,0.342906628,0.848618966,0.105029761,0.607309497,0.576325929,0.42734989,7.397998141,7.29736965,16.36811159,0.772928449,1.610985316,5.707328586,0.579870465,0.232897609,0.875344168,0.088935869,0.502218701,0.322133805,0.197134165,6.52009666,4.77378491,12.06465884,0.813016252,1.021486671,6.423664128,0.827239512,0.370958864,0.842794543,0.108535087,0.635717057,0.652614501,0.500130501,7.621862504,8.003695755,17.59679982,0.764191815,1.788462058,6.281877719,0.776025781,0.342813918,0.848820103,0.104858183,0.607992681,0.574519068,0.42711884,7.400717419,7.294446618,16.36634729,0.773230154,1.609630588 +UMLRON0281,L,trans-3-hexene,CC/C=C/CC,638066,Sandia values from averaged from the co-optima database (source their api report) and independent api report because I don't know which one is better use sandia values cause it is averaged ,Sandia,,C6H12,PubChem,,94,0,1.6136,2.60370496,38.8542,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1432.661672,1123.988381,827.498116,783.978724,302.76288,36.578304,0,3885.475125,4800.404174,6285.345707,6255.412399,4754.006523,3933.942147,3126.683726,1119.0148,0,167.819552,166.665724,297.5336,366.243764,373.270288,231.384208,251.444736,241.864704,0,29.42500648,37.33900896,52.14452968,56.24711149,45.42701054,34.75227672,32.0604183,16.00606457,0,3973.037281,3337.521256,6602.062723,8307.658088,9180.748148,5361.067664,5893.952969,6657.035473,0,43.55555556,50.66666667,76,95.44444444,77.33333333,53,60,36,0,48.76541633,52.3287937,34.11099219,21.61516117,15.32403919,23.75693103,8.41008,1.016064,0,161.8947969,208.713225,149.6510883,120.2963923,88.03715784,119.2103681,86.85232572,31.08374443,0,6.992481333,7.246335826,7.084133333,7.043149308,6.912412741,7.011642667,6.984576,6.718464,0,1.226041937,1.623435172,1.241536421,1.081675221,0.841240936,1.053099295,0.890567175,0.444612905,0,165.54322,145.1096198,157.1919696,159.7626555,170.0138546,162.4565959,163.7209158,184.917652,0,1.814814815,2.202898551,1.80952381,1.835470085,1.432098765,1.606060606,1.666666667,1,0,0.045598067,-0.009504838,0.003870636,-0.025664014,-0.002769285,0.015241793,-0.023900385,0.01992706,0,645.6853813,-53.80711511,3.23E-13,-390.1015846,161.4213453,-40.35533633,-484.264036,484.264036,0,1200.679538,-100.0566282,8.53E-14,-725.4105544,300.1698846,-75.04247115,-900.5096538,900.5096538,0,0.126485333,-0.010540444,1.84E-15,-0.076418222,0.031621333,-0.007905333,-0.094864,0.094864,0,5.367596186,-0.447299682,7.52E-15,-3.242922696,1.341899046,-0.335474762,-4.025697139,4.025697139,0,29.15686767,-2.429738973,-7.22E-14,-17.61560755,7.289216918,-1.822304229,-21.86765075,21.86765075,0,4.37037037,-2.077160494,2.314814815,-2.802469136,-0.611111111,2.101851852,-3.888888889,2.777777778,0,0.001899919,-4.13E-04,9.22E-05,-4.94E-04,-5.13E-05,4.62E-04,-6.64E-04,5.54E-04,0,26.90355756,-2.339439787,7.70E-15,-7.501953549,2.989284173,-1.22288898,-13.45177878,13.45177878,0,50.0283141,-4.350288182,2.03E-15,-13.95020297,5.558701566,-2.274014277,-25.01415705,25.01415705,0,0.005270222,-4.58E-04,4.39E-17,-0.001469581,5.86E-04,-2.40E-04,-0.002635111,0.002635111,0,0.223649841,-0.019447812,1.79E-16,-0.062363898,0.024849982,-0.010165902,-0.111824921,0.111824921,0,1.214869486,-0.105640825,-1.72E-15,-0.338761684,0.134985498,-0.05522134,-0.607434743,0.607434743,0,0.182098765,-0.090311326,0.055114638,-0.053893637,-0.011316872,0.06369248,-0.108024691,0.077160494,0,-0.217511244,0.048506272,-0.259768241,-0.026992228,0.243101095,-0.349435641,0.291343639,0,-0.086956522,2.86E-16,-0.278846154,0.111111111,-0.045454545,-0.5,0.5,0,-0.086956522,4.06E-17,-0.278846154,0.111111111,-0.045454545,-0.5,0.5,0,-0.086956522,8.33E-15,-0.278846154,0.111111111,-0.045454545,-0.5,0.5,0,-0.086956522,8.01E-16,-0.278846154,0.111111111,-0.045454545,-0.5,0.5,0,-0.086956522,-1.41E-15,-0.278846154,0.111111111,-0.045454545,-0.5,0.5,0,-0.495946942,0.302663438,-0.295958279,-0.062146893,0.349768875,-0.593220339,0.423728814,0,1.541106649,0.958676685,1.580772378,1.036802061,0.616799497,1.159674109,0,0,1.5,1.129464286,1.326923077,0.71875,1.045454545,1.4375,0,0,1.5,1.129464286,1.326923077,0.71875,1.045454545,1.4375,0,0,1.5,1.129464286,1.326923077,0.71875,1.045454545,1.4375,0,0,1.5,1.129464286,1.326923077,0.71875,1.045454545,1.4375,0,0,1.5,1.129464286,1.326923077,0.71875,1.045454545,1.4375,0,0,1.93220339,0.654358354,1.529335072,0.877118644,0.425269646,1.754237288,0,0,34.34835627,17.17417813,26.20177579,34.34835627,4.293544533,17.17417824,-1.07E-14,0,0,0,37.37429562,4.671786953,2.896786548,34.34835627,17.17417813,26.20177579,34.34835627,4.293544533,17.17417824,-1.07E-14,0,0,0,37.37429562,4.671786953,2.896786548,34.34835627,17.17417813,26.20177579,34.34835627,4.293544533,17.17417824,-1.07E-14,0,0,0,37.37429562,4.671786953,2.896786548,34.34835627,17.17417813,26.20177579,34.34835627,4.293544533,17.17417824,-1.07E-14,0,0,0,37.37429562,4.671786953,2.896786548,34.34835627,17.17417813,26.20177579,34.34835627,4.293544533,17.17417824,-1.07E-14,0,0,0,37.37429562,4.671786953,2.896786548,34.34835627,17.17417813,26.20177579,34.34835627,4.293544533,17.17417824,-1.07E-14,0,0,0,37.37429562,4.671786953,2.896786548,41.93130259,20.8406513,31.56242572,41.74380259,5.217975324,20.8406513,-0.25,4.44E-16,5.55E-17,-28.28040497,45.93039862,5.741299828,3.061701742,0,11.89,12.11011416,-0.154946789,0.067275912,5.833687088,7.817070254,7,23,22,22,6,1,1,0,0,1,17.491312,3.581275478,3.214220279,2.57654467,2.333552793,2.333552793,1.454465531,1.02422922,0.674143209,1.914761909,1.721220895,1.249629723,1.249629723,1.219740449,0.56757451,0.370771011,0.227271189,3.602108533,3.248352482,2.621751748,2.405454588,2.405454588,1.541957817,1.138443481,0.81672093,1.862609836,1.647887556,1.134540686,1.134540686,1.131348929,0.430071549,0.214544321,0.05738939,3.696443493,3.399320309,2.819404068,2.704236987,2.704236987,1.907991536,1.598606993,1.366329772,1.715829994,1.429508109,0.858281705,0.76031856,0.76031856,0.023384284,0.3180118,0.537638115,3.617599043,3.273566294,2.655061203,2.457539916,2.457539916,1.605601454,1.22046107,0.917456426,1.829984397,1.600903315,1.073853148,1.058262671,1.058262671,0.338399532,0.109168453,0.058226829,3.744069716,3.472928014,2.913743212,2.838982085,2.838982085,2.072641442,1.797313974,1.593728153,1.672107689,1.361000466,0.769704149,0.631337262,0.631337262,0.181353099,0.511235136,0.761668497,3.616610227,3.267157465,2.755310147,2.571572866,2.571572866,1.648320681,1.258176739,1.032043252,1.827276765,1.588229904,0.959098051,0.935209229,0.935209229,0.272124371,0.029905598,0.18992527,0,0,0,2,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.666666667,0,0,0,0.577350269,0.333333333,0.666666667,0.384900179,0.222222222,0.444444444,6.568914101,3.625897658,3.365043969,1.321367205,0.666666667,0.666666667,0,0,0.821114263,0.51798538,0.420630496,0.264273441,0.166666667,0.166666667,0,0,6.309401077,3.309401077,2.872934051,0.88091147,0.444444444,0.444444444,0,0,0.788675135,0.472771582,0.359116756,0.176182294,0.111111111,0.111111111,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.78079,38.546,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,56,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,6,2,0,2,0,0,0,0,0,0,0,0,4,0,0,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.481481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.545833333,0,0,1.554166667,0.580555556,0,0.545833333,0,0,0,0,0,0,0,0,8.773333333,0,0,0,4.481481481,0,1.411851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.240740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,0.243402778,0.290277778,0,0.272916667,0,0,0,0,0,0,0,0,2.193333333,0,0,0,2.240740741,0,0.705925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.240740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,0.290277778,0.290277778,0,0.272916667,0,0,0,0,0,0,0,0,2.193333333,0,0,0,2.240740741,0,0.705925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66666667,1.833333333,0.290277778,2.240740741,0.243402778,0.705925926,5.644931852,0.627407407,0.240740741,2.50962963,0.627407407,0.240740741,2.50962963,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.5,0.25,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.58053,0.94757,8.87961,1.29907,0.16238,3.13674,0.39209,3.62588,0.48915,0.06114,0.28812,0.03601,0.28812,0.03601,0,7,0,0,0,0,0,0,0.75,0.918295834,1.78067213,2.125814584,2.125814584,2.125814584,1.827067709,22.03910002,42.73613111,51.01955001,51.01955001,51.01955001,43.84962501,0.200284263,0.388372234,0.463649285,0.463649285,0.463649285,0.398491309,3.666666667,2.804290371,2.459147917,2.459147917,2.459147917,2.757894792,0.200284263,0.388372234,0.463649285,0.463649285,0.463649285,0.398491309,6.73287657,13.09808847,13.44593168,13.44593168,13.44593168,9.860969176,31.59900002,24.45773065,24.7047625,24.7047625,24.7047625,21.1198,8,3.9375,7.2,8,2,6,2.34,1.1928,1.62865057,3.265986324,4,0,1,2.828427125,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.143,0.128,0.149,0.146,3.25,8,5,4,4,0,0,0,0,0,36,2.197224577,2.397895273,2.397895273,2.197224577,2.197224577,0,0,0,0,0,3.970291914,1.444444444,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,3,5,0.666666667,2.5,0.666666667,0.25,0.32,0,0,0,0,0,0,0.357142857,0.083333333,0.05,0.08,0,0,0,0,0,0,0.57047619,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,0,144.287877,4,3.433987204,4.043051268,4.779123493,5.424950017,6.150602768,6.814542897,7.529943371,8.204398418,8.912338567,70.292938,2.708050201,0,3.850147602,0,5.105945474,0,6.408528791,0,7.738488122,8.049746291,112.1252005,4.671883355,14.50192071,1.812740089,0,0,0,74,5,4.246,30,1.216818977,2.116182651,2.950074581,3.610238181,4.700005789,5.666650161,6.213569239,0,0,0,74.8973344,82.9572194,71.71476131,68.06663479,128.6004492,49.36710306,6.313384015,0,0,0,280.1875776,347.5594753,376.8933904,356.5450573,615.3873568,505.0601584,193.1409982,0,0,0,8.853389901,15.06170259,20.82490968,25.05251697,33.10667908,39.64069631,41.74564124,0,0,0,2.117696535,2.816048832,3.323251314,3.280392068,5.306293971,5.149674971,2.762633069,0,0,0,174.336371,327.5793316,467.9662034,606.6730573,752.2233511,922.8466757,1148.998634,0,0,0,2.751457552,4.034262809,5.549235034,5.365014477,7.936071069,9.598606654,6.213569239,0,0,0,0.438856414,0.591884016,0.708382955,0.706523964,1.128000691,1.12130219,0.63626949,0,0,0,349.8601934,162.3951509,9.307265828,68.11777906,-31.6183356,-3.743183764,281.7424143,194.0134864,13.05044959,0.837030218,0.38852562,0.02226736,0.162969782,-0.075645938,-0.008955457,146.2338543,67.87759589,3.8902321,28.47173118,-13.2157678,-1.56456836,0.123153069,0.18336069,1.174215596,0.720805803,417.9779724,0,1,0,453.1415631,21.287122,7.680885649,613.3487177,24.76587809,8.496417026,742.1140546,27.2417704,9.053646891,1.439046934,1.420198618,655.5648773,562.1784524,125.6026404,1.166115269,5.219355859,4.475848999,4.485901389,4.64334204,8.066663851,0.737253853,6.523979034,5.774260353,2.178430171,21.98217852,8.111593602,9.142621632,4.969352114,9.118576552,7.877267232,9.221110986,4.984474917,9.017314062,0.389465179,0.935600129,0.641204457,7.00E-09,1.47E-38,5.97E-90,4.68E-163,7.06E-258,0,0,0,0,0,0,0,0,0,0,0.547518569,5.766253469,0.178001184,8.132418498,1.285549088,0.627714696,0.858753951,2.108498744,2.259809519,1.248691707,0.164308596,0.362511633,0.028899414,0.006589727,0.004516055,4.93E-11,1.04E-40,4.21E-92,3.29E-165,4.97E-260,0,0,0,0,0,0,0,0,0,0,1.767441564,5.766788656,0.577785134,9.19322766,1.945133254,2.116556539,1.660396813,2.7350411,3.044734374,2.539227448,0.694944837,1.426545952,0.095785335,0.068668318,0.047060779,5.13E-10,1.08E-39,4.38E-91,3.43E-164,5.18E-259,0,0,0,0,0,0,0,0,0,0,6.158104407,5.773381321,2.05294196,20.50947526,7.434129112,8.533175037,4.704467041,8.404867283,7.405406642,8.613894739,4.529038543,8.238918291,0.36501668,0.833603021,0.571301627,6.23E-09,1.31E-38,5.32E-90,4.17E-163,6.29E-258,0,0,0,0,0,0,0,0,0,0,2.604880455,5.767482417,0.854761843,10.4458678,2.615784762,3.212601987,2.221809643,3.4039751,3.690962248,3.525144153,1.193792991,2.365587265,0.143693723,0.149156225,0.102222301,1.12E-09,2.35E-39,9.52E-91,7.46E-164,1.13E-258,0,0,0,0,0,0,0,0,0,0,7.878648096,5.777956532,2.646489354,28.14438438,10.91467207,11.49923858,5.965132156,12.08421421,9.769647961,11.60464583,6.852815344,12.18157874,0.482683511,1.364484145,0.935136439,1.02E-08,2.15E-38,8.71E-90,6.82E-163,1.03E-257,0,0,0,0,0,0,0,0,0,0,3.730276082,4.613100804,1.171423733,13.16985522,3.886901805,4.896972791,2.842945277,3.900065284,3.95743027,4.845551455,1.649040237,3.833658286,0.217097457,0.278361216,0.190771574,2.08E-09,4.38E-39,1.78E-90,1.39E-163,2.10E-258,0,0,0,0,0,0,0,0,0,0,6.090223651,1.676626487,0.502280921,0.736501043,0.202757276,0.666051433,0.564315069,0.333291817,8.269131059,14.11217093,27.51010769,0.604751565,1.563658318,4.869970714,0.976415952,0.143598702,0.8130188,0.16300807,0.425985548,0.191145919,0.027052643,5.989985368,5.594650627,12.26746464,0.7195282,0.64418411,5.354422443,1.254234343,0.286531272,0.776544802,0.181899947,0.514870364,0.315501393,0.108149488,6.895188058,8.60928735,17.42873362,0.664817203,0.938521245,6.059995887,1.659267625,0.493442322,0.737880549,0.202036656,0.659456187,0.552668064,0.321643786,8.212705834,13.86416629,27.03851115,0.606820823,1.533768036,5.570450256,1.378206453,0.350017446,0.763213994,0.1888297,0.55723242,0.381049973,0.161571633,7.298674155,10.10938156,20.09522033,0.644820992,1.099854026,6.184863579,1.7309778,0.529941998,0.732301943,0.204951716,0.68691356,0.601570672,0.371081224,8.445783376,14.90079835,29.02006738,0.598452915,1.659565456,6.062940559,1.662111079,0.492907725,0.737767162,0.202253504,0.660097984,0.554543495,0.321100624,8.217959363,13.8850183,27.07014716,0.606650743,1.535742103 +UMLRON0282,L,"2,5-dimethyl-3-hexene",CC(C)/C=C/C(C)C,638067,(cis) reported; RON from [9],UML,"[1], [9]",C8H16,PubChem,,101.9,0,1.8146,3.29277316,32.1022,17.22793,0,0,16,6,10,0,6,0,0,0,0,0,0,0,0,0,875.745366,842.391485,752.6521,587.221995,417.727634,248.233273,78.738912,9.144576,0,2851.938855,3264.950672,3486.882703,2927.143802,2243.069923,1558.996044,874.9221648,279.7536999,0,112.427736,108.8789,170.119696,168.499308,140.005064,111.51082,83.016576,60.466176,0,21.17952905,25.0799431,29.41289777,25.73074786,20.27014634,14.80954481,9.348943289,4.001516144,0,2609.942657,2165.197258,3760.399004,3882.112509,3264.155406,2646.198302,2028.241198,1664.258868,0,34,40,50,45,36,27,18,9,0,54.73408538,56.15943233,31.36050417,24.46758313,20.8863817,15.51457956,6.561576,1.016064,0,178.2461784,217.6633782,145.2867793,121.9643251,112.1534961,97.43725273,72.9101804,31.08374443,0,7.0267335,7.258593333,7.088320667,7.0208045,7.0002532,6.96942625,6.918048,6.718464,0,1.323720566,1.671996207,1.225537407,1.072114494,1.013507317,0.925596551,0.779078607,0.444612905,0,163.121416,144.3464838,156.6832919,161.7546879,163.2077703,165.3873939,169.0200999,184.917652,0,2.125,2.666666667,2.083333333,1.875,1.8,1.6875,1.5,1,0,0.04674774,-0.001606549,-0.023749121,-9.61E-04,-0.001320783,-0.004080672,0.001696035,0.006648559,0,453.9975338,-47.29140977,-105.9327579,-45.39975338,-52.96637894,-60.5330045,-68.09963006,153.2241676,0,844.2278004,-87.94039587,-196.9864868,-84.42278004,-98.49324338,-112.5637067,-126.6341701,284.9268826,0,0.088935,-0.009264062,-0.0207515,-0.0088935,-0.01037575,-0.011858,-0.01334025,0.030015562,0,3.774091068,-0.393134486,-0.880621249,-0.377409107,-0.440310625,-0.503212142,-0.56611366,1.273755736,0,20.50092258,-2.135512769,-4.783548602,-2.050092258,-2.391774301,-2.733456344,-3.075138387,6.919061371,0,3.75,-0.390625,-0.875,-0.375,-0.4375,-0.5,-0.5625,1.265625,0,0.002921734,-1.07E-04,-9.90E-04,-4.01E-05,-6.60E-05,-2.55E-04,1.41E-04,7.39E-04,0,28.37484586,-3.152760651,-4.413864911,-1.891656391,-2.648318947,-3.783312781,-5.674969172,17.02490752,0,52.76423752,-5.862693058,-8.207770282,-3.517615835,-4.924662169,-7.03523167,-10.5528475,31.65854251,0,0.005558437,-6.18E-04,-8.65E-04,-3.71E-04,-5.19E-04,-7.41E-04,-0.001111688,0.003335062,0,0.235880692,-0.026208966,-0.036692552,-0.015725379,-0.022015531,-0.031450759,-0.047176138,0.141528415,0,1.281307661,-0.142367518,-0.199314525,-0.085420511,-0.119588715,-0.170841022,-0.256261532,0.768784597,0,0.234375,-0.026041667,-0.036458333,-0.015625,-0.021875,-0.03125,-0.046875,0.140625,0,-0.036657442,-0.338684774,-0.013709579,-0.022602726,-0.087291329,0.048374092,0.2528392,0,-0.111111111,-0.155555556,-0.066666667,-0.093333333,-0.133333333,-0.2,0.6,0,-0.111111111,-0.155555556,-0.066666667,-0.093333333,-0.133333333,-0.2,0.6,0,-0.111111111,-0.155555556,-0.066666667,-0.093333333,-0.133333333,-0.2,0.6,0,-0.111111111,-0.155555556,-0.066666667,-0.093333333,-0.133333333,-0.2,0.6,0,-0.111111111,-0.155555556,-0.066666667,-0.093333333,-0.133333333,-0.2,0.6,0,-0.111111111,-0.155555556,-0.066666667,-0.093333333,-0.133333333,-0.2,0.6,0,1.185766607,1.393910782,1.044791884,1.023238989,1.071155979,0.506780121,0,0,1.333333333,1.166666667,1,1,1,1,0,0,1.333333333,1.166666667,1,1,1,1,0,0,1.333333333,1.166666667,1,1,1,1,0,0,1.333333333,1.166666667,1,1,1,1,0,0,1.333333333,1.166666667,1,1,1,1,0,0,1.333333333,1.166666667,1,1,1,1,0,0,18.8488578,9.424428901,15.07018021,18.8488578,3.1414763,9.424659965,-5.33E-15,7.77E-16,1.30E-16,-20.87453425,16.67416445,2.779027408,1.688316289,18.8488578,9.424428901,15.07018021,18.8488578,3.1414763,9.424659965,-5.33E-15,7.77E-16,1.30E-16,-20.87453425,16.67416445,2.779027408,1.688316289,18.8488578,9.424428901,15.07018021,18.8488578,3.1414763,9.424659965,-5.33E-15,7.77E-16,1.30E-16,-20.87453425,16.67416445,2.779027408,1.688316289,18.8488578,9.424428901,15.07018021,18.8488578,3.1414763,9.424659965,-5.33E-15,7.77E-16,1.30E-16,-20.87453425,16.67416445,2.779027408,1.688316289,18.8488578,9.424428901,15.07018021,18.8488578,3.1414763,9.424659965,-5.33E-15,7.77E-16,1.30E-16,-20.87453425,16.67416445,2.779027408,1.688316289,18.8488578,9.424428901,15.07018021,18.8488578,3.1414763,9.424659965,-5.33E-15,7.77E-16,1.30E-16,-20.87453425,16.67416445,2.779027408,1.688316289,18.8488578,9.424428901,15.07018021,18.8488578,3.1414763,9.424659965,-5.33E-15,7.77E-16,1.30E-16,-20.87453425,16.67416445,2.779027408,1.688316289,0,11.89,12.11007471,-0.178678499,0.045109307,5.248219038,6.900135203,5,15,13,13,3,2,2,0,0,2,10.93207,3.521880838,3.045220587,2.358284477,1.866784719,0.953482259,0.66324231,0.083923071,0.083923071,1.833640916,1.575990499,1.163809179,0.783300194,0.32602831,0.222587669,0.083923071,0.083923071,3.540964925,3.07939009,2.419157866,1.937250711,1.068322127,0.80668311,0.270913902,0.270913902,1.783855335,1.497166991,1.06018134,0.666234988,0.16654553,0.052301233,0.270913902,0.270913902,3.627926087,3.233963919,2.677405435,2.233240712,1.536550831,1.359005635,0.943918427,0.943918427,1.645923552,1.265452069,0.726697407,0.289258124,0.378165973,0.544583119,0.943918427,0.943918427,3.555180788,3.104829895,2.463585389,1.988507969,1.151255397,0.907989608,0.399277246,0.399277246,1.752925088,1.446862033,0.991704398,0.58894612,0.058866249,0.063618316,0.399277246,0.399277246,3.672225991,3.311020113,2.79619407,2.368044362,1.739844151,1.58726202,1.207644823,1.207644823,1.605398607,1.194246822,0.613682596,0.160622047,0.575689177,0.769539125,1.207644823,1.207644823,3.567035818,3.126016962,2.5,2.030411667,1.218564723,0.988954413,0.5,0.5,1.730340271,1.409495677,0.93954135,0.530068508,0.024498579,0.153963644,0.5,0.5,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.309401077,2.154700538,1.051566846,0.496011291,0.222222222,0.111111111,0,0,0.718233513,0.430940108,0.262891712,0.165337097,0.111111111,0.111111111,0,0,8.709139019,15.43918427,14.62745098,14.8,9.992772455,121.8839701,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,1.99098,29.088,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,2,0,4,0,0,0,0,0,0,0,0,2,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.568194444,0,0,0,0.631805556,0,1.568194444,0,0,0,0,0,0,0,0,4,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.3775,0,0,0,0.315902778,0,0.3775,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0.315902778,0,0.406597222,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,2,0.406597222,2,0.315902778,2,3.968,0,0,0,0,0,0,3,0.5,0,0,0.45,0.7,0.42,0.42,0.7,0.03,0.03,0,0,0.71429,0,0,0.33333,0,0,5.5,0.91667,2.5,0.41667,3,0.5,0.5,0.08333,0,0,2.93006,0.48834,5.31294,2.38289,0.39715,1.49443,0.24907,2.91421,1.41979,0.23663,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,0.333333333,0.954434003,2.155639062,2.405639062,2.405639062,2.405639062,2.030639062,15.27094405,34.490225,38.490225,38.490225,38.490225,32.490225,0.238608501,0.538909766,0.601409766,0.601409766,0.601409766,0.507659766,3.045565997,1.844360938,1.594360938,1.594360938,1.594360938,1.969360938,0.233502796,0.527378265,0.588540901,0.588540901,0.588540901,0.496796947,6.794779896,14.53870385,14.7906601,14.7906601,14.7906601,10.2906601,23.34095565,18.68383437,18.18383437,18.18383437,18.18383437,13.68383437,6,5,5.333333333,6,4,6,2.12,0.868,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.327,0.312,2.648,4,3,2,1,0,0,0,0,0,21,2.079441542,2.197224577,2.197224577,2.197224577,1.609437912,0,0,0,0,0,3.737669618,1.952380952,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,3,0.6,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,107.0594491,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,82.07825032,5.129890645,10.83915043,1.806525072,0,0,0,35,3,3.004,18,1.202176708,2.106534355,2.970960723,3.793252237,5.087908838,6.104431777,7.181802748,0,0,0,77.24071726,75.0088107,86.58740662,98.14648777,91.06909555,43.62497854,7.297171227,0,0,0,284.3970026,331.7595601,397.317157,489.1156102,534.7587363,472.0037217,223.2373212,0,0,0,8.757237373,14.99067839,20.9187458,26.73699479,35.5657715,42.35924728,48.25068322,0,0,0,2.133346121,2.73901387,3.38423821,4.262622284,4.960695833,4.971166346,3.193122182,0,0,0,171.5921465,325.8147792,476.5174644,605.3349852,833.5967396,1021.536581,1328.042101,0,0,0,3.35301058,4.59324712,5.816869882,7.394993292,8.923087838,9.478555317,7.181802748,0,0,0,0.441493378,0.57735917,0.718190574,0.907402394,1.067372995,1.089373213,0.735416601,0,0,0,274.1364221,109.5973212,9.973655248,119.1274917,-47.6261194,-7.497918936,155.0089304,157.2234406,17.47157418,0.697080033,0.278686443,0.025361227,0.302919967,-0.121104728,-0.019065871,107.8079623,43.10067148,3.922278699,46.84854365,-18.72963412,-2.948660947,0.153654786,0.21790379,2.943671335,5.982477229,393.2639139,0,1,0,358.1299464,18.92432156,7.101447476,458.8066179,21.41977166,7.712761309,498.1392207,22.3190327,7.92714701,2.276387712,2.276387712,426.0824632,410.1417476,22.33174205,1.038866357,19.0796787,18.36586446,3.471876169,4.457003212,7.704792387,0.728693479,4.310662739,2.884258379,2.27550453,7.587006891,3.103329083,2.080720374,2.563655308,2.76664836,3.917491965,0.863620748,0.877133705,1.636764922,3.97130169,0.03498373,3.28E-04,6.87E-28,2.78E-73,2.16E-140,3.25E-229,0,0,0,0,0,0,0,0,0,0,0,0.361779719,2.880785181,0.188107211,3.564820428,0.032373333,0.07736169,0.345326773,0.188389196,1.6114152,0.072313201,0.007215871,0.161046497,0.138258914,2.46E-04,2.31E-06,4.84E-30,1.96E-75,1.52E-142,2.29E-231,0,0,0,0,0,0,0,0,0,0,0,1.16783093,2.881017342,0.609117613,3.867360878,0.254785289,0.236801361,0.797826366,0.637001994,2.046820987,0.233544223,0.066926793,0.462231248,0.574824105,0.002567611,2.41E-05,5.04E-29,2.04E-74,1.59E-141,2.39E-230,0,0,0,0,0,0,0,0,0,0,0,4.06891495,2.883877079,2.145921294,7.157352748,2.77225146,1.869815408,2.427741668,2.581333925,3.763822801,0.815074267,0.782183754,1.54640805,3.614298625,0.031169874,2.92E-04,6.12E-28,2.47E-73,1.93E-140,2.90E-229,0,0,0,0,0,0,0,0,0,0,0,1.721159818,2.881318283,0.899634005,4.228990944,0.527549421,0.420330011,1.108544767,0.968020922,2.356198762,0.344310883,0.142910906,0.668997264,0.977199643,0.005577191,5.23E-05,1.10E-28,4.43E-74,3.45E-141,5.19E-230,0,0,0,0,0,0,0,0,0,0,0,5.205745989,2.885861679,2.757330181,9.38608103,4.491612452,2.961820026,3.067006278,3.483980391,4.50064435,1.043483693,1.276031275,1.971332157,5.432039104,0.051020478,4.78E-04,1.00E-27,4.05E-73,3.16E-140,4.75E-229,0,0,0,0,0,0,0,0,0,0,0,2.15533992,2.881635119,1.128451668,4.600502248,0.810029507,0.606565072,1.35240813,1.240905993,2.604934768,0.431275435,0.222480668,0.831247088,1.351464626,0.008745936,8.20E-05,1.72E-28,6.94E-74,5.41E-141,8.14E-230,0,0,0,0,0,0,0,0,0,0,0,6.77876478,0.766486393,0.198168897,0.875422581,0.098985511,0.622827648,0.432944667,0.249989744,7.74342007,6.691065067,15.46413723,0.813133871,1.305762059,4.957738384,0.233060855,0.038907166,0.947995547,0.044564807,0.333600807,0.040309833,0.009636302,5.229706404,1.357414033,6.632075906,0.921993321,0.383546942,5.64011937,0.433603122,0.098630571,0.913771347,0.070249242,0.43142602,0.139272977,0.061926181,6.172353063,3.044628083,9.458189443,0.87065702,0.632625178,6.729330951,0.752070211,0.193849903,0.876757111,0.097986399,0.613785995,0.416917858,0.239211682,7.675251066,6.511198241,15.16750997,0.815135667,1.269915536,5.960955668,0.527591822,0.126690497,0.901094667,0.07975402,0.481791217,0.20593081,0.102173739,6.615237987,3.966988764,10.98066221,0.851642,0.789895765,6.93510672,0.812061573,0.211827137,0.87135453,0.102030662,0.65186083,0.485566739,0.28563696,7.95899543,7.272794155,16.42474361,0.807031794,1.423064529,6.723443508,0.750353092,0.193335509,0.876917655,0.097866201,0.612713587,0.41502873,0.237943838,7.667132109,6.489906898,15.13240827,0.815376482,1.265686155 +UMLRON0283,L,"2,4-hexadiene",C/C=C/C=C/C,638071,,UML,[1],C6H10,PubChem,,97.1,0,-0.038,0.001444,35.3026,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1190.529654,1013.078141,826.396372,643.778859,461.161346,278.543833,84.835296,3885.475125,4800.404174,5835.09088,5418.88368,4464.654462,3634.760223,2804.865983,1974.971743,1061.424631,167.819552,166.665724,297.486168,362.252084,293.047888,250.717548,208.387208,166.056868,123.32736,29.42500648,37.33900896,50.13168111,49.55779744,40.76058708,33.74182834,26.7230696,19.70431086,12.01662072,3973.037281,3337.521256,6591.128897,8625.609131,6929.941219,5973.943916,5017.946613,4061.94931,3137.747111,41,48.5,72.25,79.25,64.75,54.25,43.5,34,24,48.76541633,52.3287937,28.34594414,19.48227194,19.6761041,17.88274608,15.37204487,11.60599304,4.713072,161.8947969,208.713225,138.9307352,104.2093015,106.3012967,100.9655617,93.49553276,82.29048929,58.96803508,6.992481333,7.246335826,7.083004,6.966386231,6.977330667,6.964376333,6.946240267,6.919036167,6.85152,1.226041937,1.623435172,1.193611455,0.953034566,0.970490169,0.93727301,0.890768987,0.821012953,0.66759004,165.54322,145.1096198,156.9316404,165.8770987,164.9986005,165.9428866,167.2648871,169.2478879,174.3192839,1.708333333,2.108695652,1.720238095,1.524038462,1.541666667,1.506944444,1.45,1.416666667,1.333333333,0.048042929,-0.004267344,-0.021216894,-0.001813525,-2.64E-04,6.86E-05,-0.001591007,0.001200155,-9.49E-04,645.6853813,-53.80711511,-242.132018,13.45177878,-40.35533633,-40.35533633,-40.35533633,-40.35533633,-2.74E-13,1200.679538,-100.0566282,-450.2548269,25.01415705,-75.04247115,-75.04247115,-75.04247115,-75.04247115,8.53E-14,0.126485333,-0.010540444,-0.047432,0.002635111,-0.007905333,-0.007905333,-0.007905333,-0.007905333,-1.09E-15,5.367596186,-0.447299682,-2.01284857,0.111824921,-0.335474762,-0.335474762,-0.335474762,-0.335474762,-4.47E-15,29.15686767,-2.429738973,-10.93382538,0.607434743,-1.822304229,-1.822304229,-1.822304229,-1.822304229,4.15E-14,3.5,-0.5625,-0.875,-0.125,-0.25,-0.125,-0.25,0.25,-0.375,0.002001789,-1.86E-04,-5.05E-04,-3.49E-05,-6.29E-06,1.90E-06,-5.30E-05,5.00E-05,-5.27E-05,26.90355756,-2.339439787,-5.765048048,0.258688053,-0.960841341,-1.120981565,-1.345177878,-1.681472347,-1.52E-14,50.0283141,-4.350288182,-10.72035302,0.481041482,-1.786725503,-2.084513087,-2.501415705,-3.126769631,4.74E-15,0.005270222,-4.58E-04,-0.001129333,5.07E-05,-1.88E-04,-2.20E-04,-2.64E-04,-3.29E-04,-6.03E-17,0.223649841,-0.019447812,-0.047924966,0.002150479,-0.007987494,-0.009318743,-0.011182492,-0.013978115,-2.48E-16,1.214869486,-0.105640825,-0.260329176,0.011681437,-0.043388196,-0.050619562,-0.060743474,-0.075929343,2.31E-15,0.145833333,-0.024456522,-0.020833333,-0.002403846,-0.005952381,-0.003472222,-0.008333333,0.010416667,-0.020833333,-0.092685449,-0.25235638,-0.017422159,-0.003144619,9.52E-04,-0.026493089,0.024980877,-0.0263425,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,-5.65E-16,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,9.47E-17,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,-1.14E-14,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,-1.11E-15,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,1.90E-15,-0.167701863,-0.142857143,-0.016483516,-0.040816327,-0.023809524,-0.057142857,0.071428571,-0.142857143,1.420179723,1.328515501,1.037280547,1.052505826,0.981226352,0.903692839,0.669706074,0.604795484,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.571428571,1.173469388,0.963598901,0.99744898,0.935515873,0.903571429,0.75297619,1.095238095,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,44.7670589,22.30019612,35.82675439,44.6420589,5.580257363,22.30019612,-0.166666667,0.158085531,0.019760691,-1.475695247,39.18655619,4.898319524,2.934666987,0,11.89,12.11011416,-0.160379096,0.061052222,5.128426353,7.339204103,7,23,22,22,6,1,1,0,0,1,17.491312,3.527490705,3.234110572,2.831210223,2.392754557,1.842618743,1.505597868,1.2138498,0.750244665,1.897571247,1.734535424,1.470969949,1.160038899,0.875561505,0.676142288,0.551222741,0.260450516,3.551173607,3.268388379,2.876716151,2.448828435,1.923404201,1.601924298,1.330322032,0.886687543,1.84104913,1.662807566,1.383217965,1.058030055,0.746913597,0.536249299,0.398519435,0.093346384,3.657561912,3.418589157,3.073950685,2.68992671,2.261475488,1.995116805,1.791984456,1.417565245,1.679235415,1.448403886,1.112541047,0.736584028,0.325018697,0.067363139,0.125331865,0.488991305,3.568742156,3.29362483,2.910129036,2.489924856,1.982138152,1.671367871,1.413421059,0.983429672,1.805433811,1.616809906,1.326202038,0.99118314,0.661328654,0.442472911,0.295320977,0.02019177,3.71068298,3.491190721,3.167537655,2.802732236,2.414061303,2.167815127,1.988672893,1.639106613,1.63025996,1.380651064,1.02454834,0.629922767,0.178847098,0.099571477,0.317320309,0.706696498,3.606424235,3.308759618,2.985936889,2.580127997,2.050735357,1.75082089,1.495311531,1.142058977,1.789206489,1.565224221,1.2412358,0.868080487,0.562276236,0.328787169,0.180828733,0.186892212,0,0,0,2,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.983127663,3.564043477,2.021881336,1.12671313,0.606493072,0.319035594,0.166666667,0.083333333,0.747890958,0.509149068,0.336980223,0.225342626,0.151623268,0.106345198,0.083333333,0.083333333,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,6,2,0,2,0,0,0,0,0,0,0,0,2,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.499166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.590069444,0,0,1.509930556,0.580555556,0,0.590069444,0,0,0,0,0,0,0,0,4.391102608,0,5.109730726,0,4.499166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.231805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,0.216944444,0.290277778,0,0.290694444,0,0,0,0,0,0,0,0,2.169092971,0,1.184240363,0,2.231805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.299375,0,0,0.290277778,0.290277778,0,0.299375,0,0,0,0,0,0,0,0,2.222009637,0,1.34375,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,1.75,0.299375,2.267361111,0.216944444,1.184240363,5.619613203,0.315759637,0.267361111,1.780538549,0.315759637,0.267361111,1.780538549,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.25,0,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,6.79509,0.84939,7.95768,1.16259,0.14532,3.37132,0.42142,3.91421,0.54289,0.06786,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,0.75,0.918295834,1.947338796,3.105388542,3.772055209,3.772055209,3.340199877,22.03910002,46.73613111,74.52932501,90.52932501,90.52932501,80.16479704,0.200284263,0.424722949,0.677298569,0.822701431,0.822701431,0.728511929,3.666666667,2.637623705,1.479573959,0.812907292,0.812907292,1.244762624,0.200284263,0.424722949,0.677298569,0.822701431,0.822701431,0.728511929,6.73287657,15.09808847,19.01324374,20.60114167,19.68512709,17.98813392,31.59900002,21.28780565,17.50651667,14.40739375,15.48446146,18.47455824,8,7,7.2,8,2,8,2.34,1.1928,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.706,6,5,4,3,2,1,0,0,0,36,2.197224577,2.197224577,2.197224577,2.079441542,1.945910149,1.609437912,1.098612289,0,0,0,3.951243719,1.416666667,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,144.287877,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,112.1252005,4.671883355,14.83110795,1.853888494,0,0,0,84,5,4.376,26,1.21491647,2.112388427,2.884732475,3.676861661,5.017466604,6.005538969,7.303275782,8.327159106,9.506168774,0,74.61528623,68.01987791,68.7206182,92.71856511,105.6656768,109.0687148,95.32656985,42.17724749,9.658875869,0,279.3641124,317.1768911,333.0069876,459.0598198,554.8436602,620.4878129,639.6440977,513.1410591,295.4873207,0,8.839019751,15.01756954,20.15599712,25.84965546,35.0638784,41.89459652,50.65342522,57.15917528,63.86685268,0,2.112294483,2.667387726,2.936688603,4.015164904,5.005547461,5.743610316,6.257840875,5.735890224,4.226565312,0,174.0966549,327.4819071,474.4081433,592.0601579,823.795877,991.0034029,1226.801219,1443.182717,1757.858409,0,2.65122145,3.76061571,4.552120697,6.097375357,7.842767453,9.081531114,10.63998075,11.36712376,9.506168774,0,0.437767745,0.563911328,0.627515721,0.855664116,1.072987036,1.236160898,1.35911085,1.271000228,0.973431682,0,379.8134467,182.7262273,10.68406917,100.5098901,-48.35477304,-6.538599772,279.3035567,231.0810003,17.22266895,0.790745353,0.38042338,0.022243494,0.209254647,-0.100671296,-0.013612913,182.4332621,87.7676712,5.131807756,48.27724578,-23.22592594,-3.140642061,0.118262635,0.183312312,1.771175331,1.441231248,480.3233368,0,1,0,457.004067,21.37765345,7.702647468,617.1871281,24.84325116,8.514104049,686.2277545,26.1959492,8.820423271,2.631176076,2.631176076,999.4774225,974.1966661,44.2518466,1.025950362,22.58611785,22.01482516,4.432616101,5.923847408,10.53159396,0.777830054,6.513861769,5.891083686,3.040135942,24.21113781,10.96470277,1.555880551,5.228416944,6.390668207,14.83562422,0.064099471,2.53374554,9.060413122,1.878364206,10.62002715,0.001403402,3.64184294,2.8836637,0.632239877,5.34E-04,0.905002288,2.96E-10,1.87E-41,2.27E-94,5.34E-169,2.42E-265,0,0,0,0,0,0.546671377,5.884945006,0.250810018,6.125804002,0.083825341,0.129041637,0.885272614,0.069760438,4.251272308,4.54E-04,0.109266053,0.659693809,0.052321225,2.294130951,9.90E-06,0.104925175,0.083239738,0.047470239,3.81E-06,0.006374005,2.09E-12,1.32E-43,1.60E-96,3.76E-171,1.70E-267,0,0,0,0,0,1.764702152,5.885355357,0.812496842,7.430380496,0.821703934,0.414356167,1.771558833,0.532627555,5.565079007,0.004710786,0.412623501,2.107477275,0.238295577,3.448382555,1.03E-04,0.464335362,0.371909172,0.15692265,3.93E-05,0.066422048,2.17E-11,1.37E-42,1.67E-95,3.92E-170,1.77E-266,0,0,0,0,0,6.148554649,5.890409766,2.866660578,22.25951601,9.773897285,1.466431344,4.962447103,5.711012463,13.88812861,0.057113149,2.317563496,8.451677561,1.70050568,9.917433433,0.001250419,3.297057141,2.612123009,0.592934325,4.76E-04,0.806340745,2.64E-10,1.66E-41,2.03E-94,4.76E-169,2.15E-265,0,0,0,0,0,2.600842094,5.885887261,1.200355825,9.034688703,1.76860956,0.61197749,2.380038432,1.09603309,6.718364474,0.010226473,0.67773825,3.180607851,0.421414034,4.402633528,2.24E-04,0.818707827,0.65408742,0.23500124,8.53E-05,0.144277563,4.72E-11,2.98E-42,3.62E-95,8.51E-170,3.85E-266,0,0,0,0,0,7.866429607,5.893917392,3.685519619,32.39592515,15.969461,1.889454128,6.213280811,9.239459909,18.68386685,0.093475123,3.411103498,11.42152727,2.611911213,13.44042562,0.002046672,5.064057147,4.002713531,0.781751871,7.79E-04,1.319860783,4.32E-10,2.72E-41,3.32E-94,7.78E-169,3.52E-265,0,0,0,0,0,3.741512231,5.333740167,1.789620042,12.05155298,3.606420606,0.86804387,3.433995635,2.180649903,8.520043909,0.020939344,1.10614376,4.566808119,0.730178786,5.771779523,4.58E-04,1.352918556,1.20606597,0.38915216,1.75E-04,0.295510951,9.67E-11,6.10E-42,7.42E-95,1.74E-169,7.89E-266,0,0,0,0,0,10.32157244,0.80988251,0.392162361,0.895688581,0.070280233,0.584931463,0.630249888,0.499988149,11.52361731,12.72459864,27.52640348,0.843532872,1.7151695,8.610262589,0.309979716,0.084544021,0.956187329,0.034423884,0.407448128,0.09314336,0.02323773,9.004786327,3.423159908,12.6535948,0.934280994,0.523829217,9.28971938,0.508744813,0.206720041,0.928490587,0.05084812,0.474069349,0.250166831,0.138929047,10.00518423,6.751635464,17.73379857,0.89273588,0.863165228,10.27918469,0.797526865,0.384546598,0.896863551,0.069584583,0.580147126,0.611329329,0.480757247,11.46125815,12.45743768,27.07118036,0.845295327,1.672233703,9.592679969,0.597243866,0.261178922,0.917862946,0.057146493,0.505407519,0.34422824,0.221770687,10.45110276,8.390562584,20.33800359,0.87679442,1.071406446,10.45428299,0.848558908,0.416005283,0.892091417,0.07240976,0.600038176,0.691298461,0.562633497,11.71884718,13.5731169,28.98237813,0.838137126,1.853970134,10.29639466,0.797475877,0.384900095,0.896994547,0.06947398,0.582068666,0.610880318,0.481641533,11.47877063,12.48115819,27.12039214,0.84549182,1.674590517 +UMLRON0284,L,trans-3-octene,CCCC/C=C/CC,638228,Sandia values from independent api report ,Sandia,,C8H16,PubChem,,72.5,0,0.9262,0.85784644,29.3132,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,803.11258,630.655707,447.02213,264.404617,81.787104,9.144576,0,2914.106344,3494.423905,4007.996657,3488.939862,2627.961878,1798.067638,968.1733981,279.7536999,0,125.864664,123.114164,212.027152,236.881452,187.832648,145.502308,103.171968,60.466176,0,22.06875486,27.30703172,34.75630082,32.18367113,24.72029948,17.70154074,10.682782,4.001516144,0,2979.777961,2471.442353,4742.724499,5635.903716,4494.988761,3538.991458,2582.994154,1664.258868,0,32.5,38.25,53,53.5,42,31.5,21,9,0,48.76541633,50.97680359,26.77041933,18.54869726,16.55637519,12.59069605,5.4524736,1.016064,0,161.8947969,205.5543474,133.5998886,102.6158783,97.33192139,85.62226847,64.54489321,31.08374443,0,6.992481333,7.242009647,7.067571733,6.967101529,6.956764741,6.928681333,6.8781312,6.718464,0,1.226041937,1.606295984,1.158543361,0.946578563,0.915566648,0.842930512,0.712185467,0.444612905,0,165.54322,145.3789619,158.0908166,165.761874,166.4810652,168.5234028,172.1996103,184.917652,0,1.805555556,2.25,1.766666667,1.573529412,1.555555556,1.5,1.4,1,0,0.040002738,-0.00278122,-0.020139622,-0.001100626,4.31E-04,-0.00173934,-2.93E-04,0.00562097,0,484.264036,-53.80711511,-161.4213453,-26.90355756,-40.35533633,-40.35533633,-40.35533633,121.066009,0,900.5096538,-100.0566282,-300.1698846,-50.0283141,-75.04247115,-75.04247115,-75.04247115,225.1274134,0,0.094864,-0.010540444,-0.031621333,-0.005270222,-0.007905333,-0.007905333,-0.007905333,0.023716,0,4.025697139,-0.447299682,-1.341899046,-0.223649841,-0.335474762,-0.335474762,-0.335474762,1.006424285,0,21.86765075,-2.429738973,-7.289216918,-1.214869486,-1.822304229,-1.822304229,-1.822304229,5.466912688,0,3.111111111,-0.438271605,-0.87962963,-0.237654321,-0.166666667,-0.018518519,-0.509259259,0.694444444,0,0.002222374,-1.64E-04,-6.71E-04,-3.24E-05,1.60E-05,-8.28E-05,-1.95E-05,6.25E-04,0,26.90355756,-3.165124418,-5.380711511,-0.791281105,-1.494642086,-1.921682683,-2.690355756,13.45177878,0,50.0283141,-5.885684011,-10.00566282,-1.471421003,-2.779350783,-3.573451007,-5.00283141,25.01415705,0,0.005270222,-6.20E-04,-0.001054044,-1.55E-04,-2.93E-04,-3.76E-04,-5.27E-04,0.002635111,0,0.223649841,-0.026311746,-0.044729968,-0.006577937,-0.012424991,-0.015974989,-0.022364984,0.111824921,0,1.214869486,-0.142925822,-0.242973897,-0.035731455,-0.067492749,-0.086776392,-0.121486949,0.607434743,0,0.172839506,-0.025780683,-0.029320988,-0.006989833,-0.00617284,-8.82E-04,-0.033950617,0.077160494,0,-0.073615485,-0.302073659,-0.014566106,0.007186887,-0.037269021,-0.008782605,0.281029244,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.149159664,-0.169642857,-0.040441176,-0.035714286,-0.005102041,-0.196428571,0.446428571,0,1.360986915,1.377599631,1.010757438,0.960329614,0.903051764,0.61620132,0.003719356,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.526785714,1.161160714,0.944196429,0.936011905,0.878188776,1.092857143,0,0,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,24.51389036,12.20138963,20.14622415,24.43981629,4.073302715,12.20140297,-0.111111111,0.186385835,0.031064306,-1.007961824,40.95256977,6.825428295,2.227448737,0,11.89,12.11007471,-0.181125823,0.043355217,5.090583876,6.867637229,5,17,16,16,4,1,1,0,0,1,13.118484,3.481399334,3.049930099,2.428688263,1.891521341,1.331311296,0.765847009,0.083923071,0.083923071,1.863783038,1.611524163,1.239148958,0.863568446,0.602169637,0.264964675,0.083923071,0.083923071,3.505841441,3.088836534,2.489259763,1.967536665,1.439322469,0.900454728,0.270913902,0.270913902,1.805414244,1.532245906,1.133409581,0.741875589,0.454381641,0.09844123,0.270913902,0.270913902,3.615755954,3.258909237,2.747078453,2.284983883,1.873215159,1.426223898,0.943918427,0.943918427,1.638161172,1.292529721,0.79650392,0.344649558,0.048210994,0.480977355,0.943918427,0.943918427,3.523980836,3.11746945,2.533503899,2.022738466,1.516763663,0.996044729,0.399277246,0.399277246,1.768615858,1.481153979,1.063829824,0.661089052,0.354796896,0.014648039,0.399277246,0.399277246,3.670672848,3.340669691,2.86633473,2.428306665,2.060498847,1.646329442,1.207644823,1.207644823,1.587536355,1.216048922,0.683298907,0.207422135,0.230283037,0.697079997,1.207644823,1.207644823,3.551518429,3.152426137,2.604035092,2.094515748,1.568267128,1.124870062,0.545454545,0.545454545,1.76090306,1.401965688,0.980750265,0.562223677,0.269870672,0.152808039,0.545454545,0.545454545,0,0,0,2,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.568914101,2.526038674,1.357710728,0.691044062,0.333333333,0.166666667,0,0,0.761485683,0.505207735,0.339427682,0.230348021,0.166666667,0.166666667,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,2,0,2,0,0,0,0,0,0,0,0,2,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.650416667,0,0,0.759305556,0.580555556,0,0.650416667,0,0,0,0,0,0,0,0,4.231805556,0,2.500833333,0,4.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.225625,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.05125,0,1.232638889,0,2.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.334097222,0,0,0.290277778,0.290277778,0,0.334097222,0,0,0,0,0,0,0,0,2.180555556,0,1.268194444,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.334097222,2.180555556,0.225625,1.232638889,4.228402778,0.267361111,0.180555556,0.998333333,0.267361111,0.180555556,0.998333333,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.33333,0,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.28976,0.71496,5.31294,1.02318,0.17053,2.31066,0.38511,2.91421,0.60355,0.10059,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.102187171,3.308270835,3.419381946,3.419381946,2.775772918,16.52932501,37.83936908,59.54887502,61.54887502,61.54887502,49.96391252,0.220218789,0.504130691,0.793364589,0.820010419,0.820010419,0.66566495,3.251629167,2.06773783,0.861654167,0.750543056,0.750543056,1.394152084,0.220218789,0.504130691,0.793364589,0.820010419,0.820010419,0.66566495,6.73287657,16.17613249,18.61300657,18.72498713,18.72498713,12.98339237,23.69925001,15.20198837,13.03809584,12.79699306,12.79699306,10.42172153,6,5,5.333333333,6,2,6,2.12,0.911,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,2.708,4,3,2,1,0,0,0,0,0,21,1.945910149,1.945910149,1.791759469,1.609437912,1.098612289,0,0,0,0,0,3.401197382,1.380952381,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,109.6959078,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,84.09390038,4.671883355,10.83915043,1.806525072,0,0,0,35,3,3.343,18,1.206396379,2.097560557,2.898270293,3.689440838,5.016571418,5.99594228,7.182363778,0,0,0,71.97818168,64.20430444,65.33198828,77.59701671,73.51567691,36.07314604,7.29774127,0,0,0,272.466058,304.0471556,327.7869634,417.4182393,464.6184647,412.5039816,223.2547601,0,0,0,8.770268591,14.88192187,20.25060516,25.84371741,34.85999438,41.36253993,48.25445248,0,0,0,2.070684068,2.577944778,2.920701163,3.76785113,4.459588917,4.474106304,3.193371623,0,0,0,173.2968481,327.4386323,476.4063524,600.8199303,837.7631565,1022.808106,1328.145846,0,0,0,2.817128738,3.849535568,4.731434682,6.177957611,7.810716733,8.699108817,7.182363778,0,0,0,0.429539376,0.545864906,0.625019011,0.807247933,0.965569602,0.985940205,0.735474051,0,0,0,290.3297615,109.9011876,8.690774595,80.98027751,-30.65420723,-5.233690643,209.349484,140.5553948,13.92446524,0.781906577,0.295982268,0.023405709,0.218093423,-0.082556904,-0.014095204,107.8023551,40.80741426,3.226971854,30.06879,-11.38221488,-1.943321877,0.150280215,0.240483033,2.270637715,2.208357191,371.310039,0,1,0,332.8191526,18.24333173,6.930045779,453.1269584,21.28677896,7.68080313,469.5227006,21.6684725,7.772347296,2.273015496,2.191724646,438.4515012,421.8972962,29.22268042,1.039237523,15.00380851,14.43732369,3.621421223,4.500141067,7.773662527,0.72742641,4.957758093,3.96841599,2.315873131,14.85138041,5.773402976,2.57295371,2.916125814,6.167054752,5.620474118,0.840282009,0.870622834,1.679547081,4.008329187,0.005204749,0.011908209,2.44E-23,9.67E-66,7.38E-130,1.09E-215,3.0E-323,0,0,0,0,0,0,0,0,0,0,0.416078041,3.963670072,0.19079742,4.101176477,0.047931533,0.085888633,0.593350463,0.205393211,2.141268466,0.026120004,0.028795689,0.189610379,0.14977624,3.68E-05,8.39E-05,1.72E-25,6.81E-68,5.20E-132,7.65E-218,0,0,0,0,0,0,0,0,0,0,0,1.343131765,3.963987311,0.618261643,4.88698261,0.442410538,0.362114214,1.067138608,0.868728711,2.618498086,0.113574351,0.122094482,0.492342488,0.606461938,3.82E-04,8.74E-04,1.79E-24,7.10E-67,5.42E-131,7.98E-217,0,0,0,0,0,0,0,0,0,0,0,4.679719695,3.967894968,2.183545591,13.69496595,5.149003236,2.338822474,2.773806953,5.606252537,5.325069496,0.762586299,0.791303318,1.587840458,3.655040252,0.004637443,0.01061,2.18E-23,8.62E-66,6.58E-130,9.68E-216,3.0E-323,0,0,0,0,0,0,0,0,0,0,1.979525084,3.964398531,0.913575714,5.844638472,0.943087512,0.620452978,1.392480217,1.488453154,3.015269063,0.196986617,0.209460164,0.700573012,1.018221494,8.30E-04,0.001898434,3.90E-24,1.54E-66,1.18E-130,1.73E-216,0,0,0,0,0,0,0,0,0,0,0,5.987209136,3.970606793,2.808356636,19.69883883,8.39625624,3.532799085,3.443204998,8.465807244,6.807794998,1.159579578,1.195853335,2.019656061,5.449324523,0.00759014,0.017367004,3.56E-23,1.41E-65,1.08E-129,1.58E-215,4.0E-323,0,0,0,0,0,0,0,0,0,0,2.717515881,3.653488169,1.286306116,7.191778161,1.744553825,0.895990778,1.845519273,2.164059466,3.619419804,0.289108789,0.346676789,1.028470977,1.662933127,0.001549111,0.003542938,7.27E-24,2.88E-66,2.20E-130,3.23E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,6.245934765,0.749972934,0.349169828,0.850356547,0.102105516,0.578638337,0.513131272,0.444431184,7.345077527,7.127041907,16.10772938,0.775534821,1.536200794,4.953260344,0.272259124,0.075275509,0.934437262,0.051361942,0.364521529,0.067935127,0.020655633,5.300794977,1.741923959,7.144233253,0.901655893,0.453112289,5.466256611,0.462403597,0.184057442,0.894243268,0.075646157,0.443548656,0.195809805,0.123491729,6.112717651,3.618830755,10.19677507,0.841364903,0.76285019,6.213893814,0.73818406,0.342388976,0.851864014,0.101197809,0.572730321,0.497225314,0.427337154,7.294466851,6.967312194,15.83231638,0.777796022,1.497292789,5.6951069,0.546972078,0.232546027,0.879604131,0.084479345,0.481324976,0.27374762,0.19712829,6.474625005,4.566635121,11.76565599,0.819406196,0.952200887,6.346256923,0.786870255,0.370398864,0.84576996,0.104866732,0.597334458,0.564500839,0.500115596,7.503526041,7.635783003,16.98896274,0.768654941,1.661950893,6.225512171,0.737522064,0.342296406,0.852187598,0.100956699,0.574868009,0.496290285,0.427106111,7.305330641,6.97487418,15.85184254,0.778281397,1.498264405 +UMLRON0285,L,trans-2-hexene,CCC/C=C/C,639661,Sandia values from independent api report ,Sandia,,C6H12,PubChem,,92.7,0,0.6382,0.40729924,32.2248,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,996.821117,827.412436,643.778859,450.070322,264.404617,81.787104,9.144576,3399.790734,4147.41404,4921.543769,4495.738207,3634.760223,2721.213111,1798.067638,968.1733981,279.7536999,146.842108,144.889944,254.75666,299.766352,250.717548,207.98804,145.502308,103.171968,60.466176,25.74688067,32.32302034,42.44399096,41.20519999,33.74182834,26.0541382,17.70154074,10.682782,4.001516144,3476.407621,2904.481805,5666.926698,7114.858871,5973.943916,5049.741717,3538.991458,2582.994154,1664.258868,36.75,43.5,62.25,65.5,55,45,31.5,21,9,48.76541633,51.7541979,27.68947547,19.24214967,17.88274608,15.00234407,12.59069605,5.4524736,1.016064,161.8947969,207.370702,136.7095491,104.5520513,100.9655617,90.70710369,85.62226847,64.54489321,31.08374443,6.992481333,7.2444972,7.076573889,6.971310512,6.964376333,6.932934667,6.928681333,6.8781312,6.718464,1.226041937,1.616151017,1.178999749,0.958260465,0.93727301,0.868471273,0.842930512,0.712185467,0.444612905,165.54322,145.2240902,157.4146305,165.4618342,165.9428866,168.3247239,168.5234028,172.1996103,184.917652,1.75,2.175,1.729166667,1.523255814,1.527777778,1.5,1.5,1.4,1,0.044255737,-0.002724614,-0.022405807,-0.002754175,0.003623632,-4.83E-04,-0.002641926,-3.61E-04,0.005618788,564.9747087,-53.80711511,-201.7766817,-26.90355756,-40.35533633,-2.17E-13,-40.35533633,-40.35533633,121.066009,1050.594596,-100.0566282,-375.2123557,-50.0283141,-75.04247115,1.42E-13,-75.04247115,-75.04247115,225.1274134,0.110674667,-0.010540444,-0.039526667,-0.005270222,-0.007905333,-4.52E-16,-0.007905333,-0.007905333,0.023716,4.696646663,-0.447299682,-1.677373808,-0.223649841,-0.335474762,-2.58E-15,-0.335474762,-0.335474762,1.006424285,25.51225921,-2.429738973,-9.111521147,-1.214869486,-1.822304229,-4.22E-15,-1.822304229,-1.822304229,5.466912688,3.30952381,-0.366213152,-0.93537415,-0.419501134,0.017006803,0.022108844,-0.047619048,-0.542517007,0.617346939,0.002107416,-1.36E-04,-6.22E-04,-6.41E-05,1.01E-04,-1.61E-05,-1.26E-04,-2.41E-05,6.24E-04,26.90355756,-2.690355756,-5.604907824,-0.625664129,-1.120981565,-7.22E-15,-1.921682683,-2.690355756,13.45177878,50.0283141,-5.00283141,-10.42256544,-1.163449165,-2.084513087,4.74E-15,-3.573451007,-5.00283141,25.01415705,0.005270222,-5.27E-04,-0.001097963,-1.23E-04,-2.20E-04,-1.51E-17,-3.76E-04,-5.27E-04,0.002635111,0.223649841,-0.022364984,-0.046593717,-0.005201159,-0.009318743,-8.60E-17,-0.015974989,-0.022364984,0.111824921,1.214869486,-0.121486949,-0.25309781,-0.028252779,-0.050619562,-1.41E-16,-0.086776392,-0.121486949,0.607434743,0.157596372,-0.018310658,-0.025982615,-0.00975584,4.72E-04,7.37E-04,-0.002267574,-0.0361678,0.068594104,-0.064643464,-0.295330163,-0.030392941,0.047762965,-0.007632156,-0.059696803,-0.011427678,0.296244171,-0.1,-0.208333333,-0.023255814,-0.041666667,-2.69E-16,-0.071428571,-0.1,0.5,-0.1,-0.208333333,-0.023255814,-0.041666667,9.47E-17,-0.071428571,-0.1,0.5,-0.1,-0.208333333,-0.023255814,-0.041666667,-2.86E-15,-0.071428571,-0.1,0.5,-0.1,-0.208333333,-0.023255814,-0.041666667,-3.85E-16,-0.071428571,-0.1,0.5,-0.1,-0.208333333,-0.023255814,-0.041666667,-1.16E-16,-0.071428571,-0.1,0.5,-0.11618705,-0.164868106,-0.061903965,0.002997602,0.004676259,-0.014388489,-0.229496403,0.435251799,1.373421493,1.382359431,0.99691271,0.864383522,0.945994284,0.976337212,0.657527898,0.003972094,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.510791367,1.154076739,0.931069098,0.881294964,0.931654676,0.971223022,1.208633094,0,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,35.10544132,17.48129209,28.8982439,35.0034005,5.000485786,17.48129216,-0.142857143,0.183534832,0.026219262,-1.186745565,21.80287736,3.114696766,2.157429365,0,11.89,12.11009426,-0.181125901,0.043377598,5.108787686,7.182011159,6,20,19,19,5,1,1,0,0,1,15.304898,3.502283833,3.174689649,2.647819903,2.141038364,1.662474916,1.228701565,0.765585611,0.083923071,1.88576869,1.676171393,1.375066214,1.023999473,0.748879162,0.560297645,0.26494977,0.083923071,3.526963431,3.208895978,2.700440482,2.208289868,1.74963351,1.34416454,0.900259949,0.270913902,1.827582872,1.604059501,1.277307308,0.910722223,0.616382834,0.407774127,0.098421578,0.270913902,3.637664543,3.359069382,2.92737616,2.492296558,2.109936044,1.802986042,1.426157545,0.943918427,1.660172369,1.388928624,0.971477704,0.54629082,0.176901559,0.114680916,0.481032874,0.943918427,3.545264645,3.234096227,2.739031931,2.257297879,1.812739275,1.426624494,0.995885952,0.399277246,1.790839239,1.557850432,1.213420877,0.835927735,0.527882588,0.304750691,0.014671876,0.399277246,3.692798026,3.431805311,3.034124997,2.622330165,2.270371888,1.998904681,1.646285725,1.207644823,1.609287721,1.321097279,0.87075811,0.422403721,0.022514211,0.305789472,0.697164539,1.207644823,3.57945078,3.267745145,2.795034571,2.350257742,1.87579871,1.495487606,1.142447682,0.56,1.792098626,1.470765026,1.133083257,0.730219577,0.424809806,0.204442835,0.169196891,0.56,0,0,0,2,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,5.276020882,3.026038674,1.711264119,0.960046463,0.488641942,0.23570226,0.11785113,0,0.753717269,0.504339779,0.342252824,0.240011616,0.162880647,0.11785113,0.11785113,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,4,2,0,2,0,0,0,0,0,0,0,0,2,0,3,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.318611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.633472222,0,0,0.97625,0.580555556,0,0.633472222,0,0,0,0,0,0,0,0,4.276944444,0,3.904444444,0,4.318611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.106805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.216944444,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.065138889,0,1.256944444,0,2.106805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.211805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327152778,0,0,0.290277778,0.290277778,0,0.327152778,0,0,0,0,0,0,0,0,2.211805556,0,1.337638889,0,2.211805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.5,1.785714286,0.327152778,2.211805556,0.216944444,1.256944444,4.938793333,0.243055556,0.211805556,1.191111111,0.243055556,0.211805556,1.191111111,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.28571,0,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.52313,0.78902,6.60412,1.08099,0.15443,2.81066,0.40152,3.41421,0.60355,0.08622,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.058053137,3.368042423,3.653756708,3.653756708,3.290069569,19.28421252,43.21911587,70.72889087,76.72889087,76.72889087,69.09146095,0.209068641,0.468557469,0.766803056,0.831851698,0.831851698,0.749050957,3.474021589,2.334264286,1.024275,0.738560714,0.738560714,1.102247854,0.209068641,0.468557469,0.766803056,0.831851698,0.831851698,0.749050957,6.73287657,16.07411706,19.48810467,19.77605468,19.77605468,17.11042065,27.64912502,17.70101564,14.3059685,13.54772211,13.54772211,12.70318223,7,6,6,7,2,7,2.23,1.0519,0.166666667,3.838519496,0,0,5.676240019,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.207,5,4,3,2,1,0,0,0,0,28,2.079441542,2.079441542,1.945910149,1.791759469,1.609437912,1.098612289,0,0,0,0,3.663561646,1.357142857,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,0,126.9918924,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,98.10955045,4.671883355,12.83378878,1.833398397,0,0,0,56,4,3.912,22,1.211236555,2.106146174,2.894269068,3.675429034,4.994895307,6.023464854,7.337468311,8.219037532,0,0,73.49186037,66.47448687,67.92962066,84.09726931,88.48369883,88.75955058,42.29125961,8.351068151,0,0,276.4211428,311.8083112,334.3272846,434.2800493,495.6536773,565.7048895,490.8222375,255.4784621,0,0,8.809375226,14.96076331,20.23573863,25.78350404,34.74145193,41.90056746,50.55026797,55.21930777,0,0,2.094519856,2.630657003,2.957265242,3.863205896,4.609649551,5.422097492,5.363387285,3.654290152,0,0,173.7481089,327.4430955,474.8479226,595.8671039,832.4670305,1002.388072,1256.961811,1519.845122,0,0,2.730269027,3.772419654,4.560018482,6.042529477,7.78706437,9.463099175,10.47837957,8.219037532,0,0,0.434251815,0.556494339,0.632079826,0.825685462,0.993584188,1.173371933,1.183546145,0.841629443,0,0,369.7257927,159.5692303,10.62343689,120.6999243,-52.09264378,-7.866851465,249.0258684,211.6618741,18.49028835,0.753887449,0.325368807,0.021661664,0.246112551,-0.106219234,-0.016040862,181.323037,78.25685418,5.210006652,59.19434692,-25.54757218,-3.85810627,0.131808696,0.210923682,1.848666864,2.016512671,490.425717,0,1,0,394.9492309,19.87332964,7.336919558,535.2109823,23.13462734,8.119108381,576.4085702,24.00851037,8.322302096,2.372812479,2.372812479,677.5796152,654.576458,38.81628386,1.035142048,17.45606606,16.8634499,4.06680517,4.666948778,9.036208595,0.936213364,5.74282719,4.913808468,2.664705646,20.26978622,8.318026648,2.51146666,3.604883647,6.829892973,9.955181505,1.183042766,1.903909714,3.806975181,3.768804223,2.862114773,1.111516222,0.732841838,1.754398586,9.09E-10,9.09E-41,1.75E-93,6.52E-168,4.68E-264,0,0,0,0,0,0,0,0,0.481963593,4.90825411,0.219719348,5.114495423,0.066347009,0.082537669,0.78078309,0.206624456,3.242013256,0.034031491,0.058819403,0.372975931,0.151912583,1.069857338,0.048698126,0.043392381,0.012356373,6.41E-12,6.40E-43,1.23E-95,4.59E-170,3.30E-266,0,0,0,0,0,0,0,0,1.555818011,4.908625392,0.711857863,6.2064129,0.630439375,0.34976208,1.356996536,0.90854651,4.122883557,0.152854921,0.254292385,1.071057012,0.598705052,1.397775845,0.186580976,0.152009061,0.12876293,6.67E-11,6.67E-42,1.29E-94,4.79E-169,3.43E-265,0,0,0,0,0,0,0,0,5.42076089,4.913198694,2.512571852,18.63389024,7.416556908,2.281908244,3.431907319,6.194462757,9.371061872,1.071765245,1.726869991,3.59573241,3.444260415,2.738979414,1.018482104,0.679273136,1.563137555,8.10E-10,8.10E-41,1.56E-93,5.81E-168,4.17E-264,0,0,0,0,0,0,0,0,2.292985403,4.909106663,1.051754763,7.550296631,1.35029692,0.601070954,1.752621951,1.583400839,4.872895438,0.268781443,0.442265433,1.551120361,0.99196415,1.634140688,0.304708072,0.236106512,0.279690291,1.45E-10,1.45E-41,2.80E-94,1.04E-168,7.46E-265,0,0,0,0,0,0,0,0,6.935293734,4.916372457,3.230774354,27.13076704,12.10574111,3.453229883,4.245435817,9.443705617,12.31450592,1.641532952,2.632171392,4.590265443,5.087529212,3.333260905,1.487736566,0.944082305,2.558625457,1.33E-09,1.33E-40,2.56E-93,9.51E-168,6.82E-264,0,0,0,0,0,0,0,0,3.233741431,4.517189611,1.518854923,9.678598865,2.638147876,0.918880074,2.325413388,2.465313405,6.253601947,0.423423164,0.778250709,2.351581031,1.463668191,2.290567931,0.515282162,0.385766351,0.550179397,2.85E-10,2.85E-41,5.50E-94,2.05E-168,1.47E-264,0,0,0,0,0,0,0,0,7.927063666,0.816739314,0.373579739,0.869445093,0.089580457,0.561646898,0.557088365,0.476173195,9.11738272,9.740852179,21.27691885,0.804167639,1.594908458,6.610377534,0.316505469,0.080537901,0.943339586,0.045167184,0.390627334,0.08358215,0.022130892,7.007420904,2.650097258,9.826021221,0.915009379,0.496340376,7.13328782,0.515216823,0.196924607,0.909228494,0.065670954,0.45483634,0.221592659,0.132311713,7.84542925,5.181368662,13.75053324,0.863842741,0.808740711,7.89446296,0.8043582,0.366324849,0.870858887,0.08873086,0.557038326,0.540320824,0.457858281,9.06514601,9.53657037,20.92787039,0.80628833,1.55521743,7.36638595,0.603775159,0.248802953,0.896266962,0.073461224,0.485033843,0.304366284,0.211207519,8.218964062,6.430640467,15.75619071,0.844400443,1.000607646,8.029128713,0.855500334,0.396292864,0.865121891,0.092178379,0.576198113,0.611237547,0.53583468,9.280921911,10.38983738,22.39286418,0.797682836,1.723270339,7.916061296,0.804243237,0.36647009,0.87116294,0.088507008,0.560093867,0.540153902,0.458221418,9.086774624,9.562169554,20.98205357,0.80674441,1.558469186 +UMLRON0286,L,trans-2-heptene,CCCC/C=C/C,639662,"Sanda values from the independent api report and co-optima database from their api report, because values are not super different average sensitivities",Sandia,,C7H14,PubChem,,73.2,0,1.6606,2.75759236,30.6836,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,913.087565,804.128644,409.689673,100.076256,9.144576,0,0,2914.106344,3494.423905,4149.471199,4039.080402,3174.907034,1527.680798,279.7536999,0,0,125.864664,123.114164,211.6517,218.745616,230.913892,224.10432,60.466176,0,0,22.06875486,27.30703172,35.0937937,35.20091372,31.06407246,18.68581429,4.001516144,0,0,2979.777961,2471.442353,4779.986516,4927.642151,5376.46203,5911.511891,1664.258868,0,0,33.02777778,39.16666667,53.16666667,56,55.5,39,9,0,0,48.76541633,50.97680359,30.43625217,25.93963368,12.41483858,3.032613818,1.016064,0,0,161.8947969,205.5543474,138.3157066,130.2929162,96.20930407,46.29335751,31.08374443,0,0,6.992481333,7.242009647,7.055056667,7.056310194,6.997390667,6.79104,6.718464,0,0,1.226041937,1.606295984,1.169793123,1.135513346,0.941335529,0.566236797,0.444612905,0,0,165.54322,145.3789619,159.3328839,158.9561984,162.9230918,179.136724,184.917652,0,0,1.834876543,2.303921569,1.772222222,1.806451613,1.681818182,1.181818182,1,0,0,0.034021616,2.45E-04,-0.007674848,-0.013650479,-0.01479181,0.013167381,0.005693895,0,0,484.264036,-53.80711511,2.10E-13,-147.9695666,-363.198027,201.7766817,121.066009,0,0,900.5096538,-100.0566282,1.35E-13,-275.1557275,-675.3822403,375.2123557,225.1274134,0,0,0.094864,-0.010540444,5.61E-16,-0.028986222,-0.071148,0.039526667,0.023716,0,0,4.025697139,-0.447299682,1.11E-15,-1.230074126,-3.019272855,1.677373808,1.006424285,0,0,21.86765075,-2.429738973,2.40E-14,-6.681782175,-16.40073807,9.111521147,5.466912688,0,0,3.211419753,-0.886402606,0.112139918,-0.117198217,-2.452417695,0.996656379,0.741512346,0,0,0.00189009,1.44E-05,-2.56E-04,-4.40E-04,-4.48E-04,3.99E-04,6.33E-04,0,0,26.90355756,-3.165124418,6.99E-15,-4.773211824,-11.00600082,6.114444899,13.45177878,0,0,50.0283141,-5.885684011,4.50E-15,-8.875991211,-20.46612849,11.37007139,25.01415705,0,0,0.005270222,-6.20E-04,1.87E-17,-9.35E-04,-0.002156,0.001197778,0.002635111,0,0,0.223649841,-0.026311746,3.70E-17,-0.039679811,-0.091493117,0.050829509,0.111824921,0,0,1.214869486,-0.142925822,7.99E-16,-0.21554136,-0.496992063,0.276106701,0.607434743,0,0,0.178412209,-0.05214133,0.003737997,-0.003780588,-0.074315688,0.030201708,0.082390261,0,0,0.007626523,-0.135352432,-0.23297202,-0.237150982,0.211107196,0.334722178,0,0,-0.117647059,2.60E-16,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.117647059,9.00E-17,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.117647059,3.55E-15,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.117647059,1.65E-16,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.117647059,6.58E-16,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.292252028,0.020951466,-0.021190185,-0.416539251,0.169280503,0.461797213,0,0,1.296598248,1.313658388,1.422936665,1.11930576,0.317143651,0.003801213,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.712638155,0.894521864,1.017454388,1.503866148,0.481237167,0,0,0,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,21.39334399,10.65685718,16.22976098,21.34025757,3.556709594,10.65691428,-0.07962963,0.200050037,0.033341673,-0.965512657,16.1013119,2.683551983,1.667340452,0,11.89,12.11007471,-0.179299839,0.044676237,5.374547771,7.685503879,5,17,16,16,4,1,1,0,0,1,13.118484,3.540555378,2.865081898,2.54719039,1.886949926,1.505228104,0.344109736,0.083923071,0.083923071,1.875841698,1.524168067,1.355045439,0.886289331,0.628155545,0.083923071,0.083923071,0.083923071,3.560860944,2.912206141,2.607820635,1.965600326,1.598567031,0.471800875,0.270913902,0.270913902,1.822394366,1.434128227,1.249691962,0.761335285,0.494736601,0.270913902,0.270913902,0.270913902,3.654148109,3.115970063,2.865056506,2.292469171,1.977444195,0.958553255,0.943918427,0.943918427,1.673556754,1.155751879,0.914278472,0.35373006,0.046732001,0.943918427,0.943918427,0.943918427,3.576033742,2.946779797,2.652048431,2.022602679,1.665721835,0.561964105,0.399277246,0.399277246,1.789077632,1.375576207,1.180401024,0.678418554,0.405290945,0.399277246,0.399277246,0.399277246,3.701951025,3.212402365,2.98380042,2.439582945,2.142927699,1.207644823,1.207644823,1.207644823,1.629890309,1.06500317,0.801509977,0.212776649,0.113509522,1.153230243,1.207644823,1.207644823,3.573923729,2.996587406,2.741671856,2.090246595,1.72662782,0.63283836,0.537313433,0.537313433,1.782690817,1.303003175,1.077246187,0.600742919,0.311645504,0.537313433,0.537313433,0.537313433,0,0,0,1,1,3,1,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.204124145,0,0,0,0.577350269,0.288675135,0,0.40824829,0.204124145,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.78445705,2.426685576,1.488581196,1.050476816,0.204124145,0,0,0,0.797409508,0.485337115,0.297716239,0.262619204,0.204124145,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.51E-16,4.19E-17,-21.5515951,3000004.229,500000.7049,8.948474554,29,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,2,3,0,1,0,0,0,0,0,0,0,0,3,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.606481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.533680556,0.870833333,0,0.316319444,0,0,0,0,0,0,0,0,6.369212963,0,1.190972222,0,2.138888889,0,0,0,0,1.467592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.467592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.243402778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.068287037,0,1.190972222,0,2.138888889,0,0,0,0,1.467592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.138888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.290277778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.162037037,0,1.190972222,0,2.138888889,0,0,0,0,1.467592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.16666667,1.861111111,0.316319444,2.162037037,0.069444444,1.190972222,3.717506944,0.309027778,0.162037037,1.016203704,0.309027778,0.162037037,1.016203704,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.74073,0.79012,5.73058,0.98984,0.16497,2.19415,0.36569,2.80805,0.6139,0.10232,0.10595,0.01766,0.10595,0.01766,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.94471679,2.932999307,3.26633264,3.03467014,2.075522223,16.52932501,35.00490222,52.79398752,58.79398752,54.62406252,37.35940001,0.220218789,0.46636733,0.703369798,0.783307287,0.727751731,0.497736104,3.251629167,2.225208211,1.236925695,0.903592361,1.135254862,2.094402779,0.220218789,0.46636733,0.703369798,0.783307287,0.727751731,0.497736104,6.73287657,16.01742989,18.23479853,18.5707402,15.7907902,5.963359945,23.69925001,14.79422358,13.73834653,13.15338403,11.76340903,9.39649167,6,3.2,3,6,2,5,2.12,0.911,0.908560296,3.301927249,1.889881575,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,2.685,5,4,1,0,0,0,0,0,0,21,1.945910149,2.197224577,2.079441542,1.098612289,0,0,0,0,0,0,3.401197382,1.380952381,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.51E-16,4.19E-17,-21.5515951,3000004.229,500000.7049,8.948474554,0,109.6959078,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,84.09390038,4.671883355,10.6758508,1.779308466,0,0,0,31,4,2.836,20,1.207254321,2.087894256,2.994009532,3.754097887,4.353688906,5.137695122,0,0,0,0,72.08442802,74.58635221,86.38803114,50.22202244,14.0558684,5.220227056,0,0,0,0,272.7884669,320.6826348,415.6711438,375.0427178,207.9791155,159.6988021,0,0,0,0,8.776681837,14.80397255,21.18725697,26.31457258,29.59676834,34.51741972,0,0,0,0,2.072854631,2.638182254,3.557813812,3.629258247,2.516654348,2.284285552,0,0,0,0,173.4091213,327.3441287,471.5197554,608.1337552,777.4607779,950.0505188,0,0,0,0,2.883876925,3.895968137,5.580912693,6.415667547,5.222160729,5.137695122,0,0,0,0,0.429979205,0.556174329,0.75476867,0.784674599,0.565319467,0.52609998,0,0,0,0,326.1674797,114.8107255,9.286464683,111.7370586,-39.33136677,-6.306498586,214.430421,154.1420923,15.59296327,0.744836948,0.262182087,0.021206596,0.255163052,-0.089817217,-0.014401537,142.8302196,50.27613776,4.06658503,48.93016507,-17.22338401,-2.761644352,0.161583694,0.250377291,3.803334264,2.637799435,437.9045383,0,1,0,331.4395198,18.20548049,6.920456827,451.7060732,21.25337793,7.672766407,502.4179544,22.41468167,7.949778902,1.250100046,1.234957549,298.5421029,211.0300752,100.2282118,1.414689838,2.978623459,2.105495763,3.71644438,3.50827823,6.06588521,0.729020566,4.940296951,4.006402727,1.850676024,13.19569226,5.840693673,6.457091274,3.735833651,7.516726975,6.93556092,1.76048664,1.398235453,6.54E-09,1.27E-38,4.78E-90,3.46E-163,4.83E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.414608809,3.999596806,0.151119013,4.251168508,1.719326116,0.223985173,1.469204051,0.759381755,0.131384971,0.087609311,0.009847887,4.61E-11,8.96E-41,3.37E-92,2.44E-165,3.40E-260,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.338398243,4.0000517,0.490595064,5.057830637,2.315739923,0.932533857,1.835061347,1.803003601,0.721085086,0.322438947,0.102622571,4.80E-10,9.34E-40,3.51E-91,2.54E-164,3.55E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.663237566,4.005655535,1.743998418,12.28758903,5.501768392,5.876064963,3.562823994,6.984288886,6.236291705,1.620348486,1.245802616,5.83E-09,1.13E-38,4.26E-90,3.08E-163,4.31E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.972550729,4.000641396,0.725843752,5.914172526,2.797858905,1.586322673,2.114955842,2.619092484,1.363187999,0.515305841,0.222909938,1.04E-09,2.03E-39,7.62E-91,5.52E-164,7.70E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.966123148,4.009544544,2.248643557,16.96733985,7.1939298,8.834819348,4.415296813,9.622946649,9.84565018,2.322189962,2.039195001,9.54E-09,1.86E-38,6.97E-90,5.05E-163,7.05E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.741265634,3.718978381,0.955176491,7.017236501,3.698020698,2.435167215,2.518001372,3.56375558,2.312286453,0.790697248,0.40367858,1.89E-09,3.67E-39,1.38E-90,9.99E-164,1.40E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.433759978,1.820119652,0.350484778,0.612693916,0.324768255,0.592676114,0.580623605,0.44441633,5.604364409,8.091258857,15.88610197,0.419040874,1.61771605,2.4336782,1.116151009,0.075558992,0.671287615,0.307870757,0.296550797,0.215144304,0.020654943,3.625388201,2.984573896,6.815206945,0.506931423,0.532350044,2.829962528,1.396660197,0.184750591,0.641515085,0.316604399,0.401525008,0.339667958,0.123487602,4.411373316,4.733367067,9.874966358,0.462272628,0.864680568,3.408918319,1.802773824,0.343678391,0.613625734,0.324510096,0.584065551,0.569516852,0.427322872,5.555370534,7.936654684,15.60410376,0.4204386,1.580905275,3.007024522,1.52127293,0.233421781,0.631499754,0.319479763,0.453665152,0.404004342,0.197121702,4.761719232,5.631508258,11.46101659,0.44724963,1.054791196,3.51155431,1.87440308,0.371793762,0.609882959,0.325544302,0.620056174,0.616058939,0.500098881,5.757751151,8.584533571,16.78945662,0.414824439,1.736213994,3.410976075,1.804372728,0.343456947,0.613616706,0.32459719,0.584820895,0.570598117,0.426772371,5.558805749,7.94591998,15.61859065,0.42042506,1.582191383 +UMLRON0287,L,trans-3-methyl-2-pentene,CC/C(=C/C)/C,642661,Sandia values from independent api report ,Sandia,,C6H12,PubChem,,97.2,0,1.9266,3.71178756,34.6009,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1227.862111,1177.406502,667.997906,181.86336,18.289152,0,0,3399.790734,4147.41404,5288.145724,5689.27052,4786.472206,2495.854196,559.5073998,0,0,146.842108,144.889944,254.404924,283.650072,336.105416,327.276288,120.932352,0,0,25.74688067,32.32302034,43.78790813,48.57352389,46.09793578,29.36859629,8.003032287,0,0,3476.407621,2904.481805,5709.655628,6253.088698,7805.947576,8494.506045,3328.517736,0,0,38.55555556,45.55555556,63.66666667,76,82,60,18,0,0,48.76541633,51.7541979,34.10728086,29.43516255,13.91662304,3.78882,1.016064,0,0,161.8947969,207.370702,146.8929368,142.231763,99.71817095,51.99696242,31.08374443,0,0,6.992481333,7.2444972,7.066803444,7.0912518,7.002196167,6.818256,6.718464,0,0,1.226041937,1.616151017,1.216330781,1.214338097,0.960373662,0.611845756,0.444612905,0,0,165.54322,145.2240902,158.6015452,156.3272174,162.6239078,176.9688759,184.917652,0,0,1.835978836,2.277777778,1.768518519,1.9,1.708333333,1.25,1,0,0,0.037110145,-0.002774765,3.76E-04,-0.0144685,-0.026156235,0.012954923,0.011513843,0,0,564.9747087,-53.80711511,80.71067267,-228.6802392,-484.264036,161.4213453,242.132018,0,0,1050.594596,-100.0566282,150.0849423,-425.2406698,-900.5096538,300.1698846,450.2548269,0,0,0.110674667,-0.010540444,0.015810667,-0.044796889,-0.094864,0.031621333,0.047432,0,0,4.696646663,-0.447299682,0.670949523,-1.901023649,-4.025697139,1.341899046,2.01284857,0,0,25.51225921,-2.429738973,3.644608459,-10.32639063,-21.86765075,7.289216918,10.93382538,0,0,3.841269841,-1.526077098,1.034013605,-0.163265306,-3.224489796,0.489795918,1.469387755,0,0,0.00176715,-1.39E-04,1.04E-05,-3.62E-04,-5.45E-04,2.70E-04,6.40E-04,0,0,26.90355756,-2.690355756,2.24196313,-5.717005981,-10.08883408,3.362944694,13.45177878,0,0,50.0283141,-5.00283141,4.169026175,-10.63101675,-18.76061779,6.253539262,25.01415705,0,0,0.005270222,-5.27E-04,4.39E-04,-0.001119922,-0.001976333,6.59E-04,0.002635111,0,0,0.223649841,-0.022364984,0.018637487,-0.047525591,-0.08386869,0.02795623,0.111824921,0,0,1.214869486,-0.121486949,0.101239124,-0.258159766,-0.455576057,0.151858686,0.607434743,0,0,0.182917611,-0.076303855,0.0287226,-0.004081633,-0.067176871,0.010204082,0.081632653,0,0,-0.078509624,0.005905,-0.204686951,-0.308361843,0.152728559,0.361971564,0,0,-0.1,0.083333333,-0.2125,-0.375,0.125,0.5,0,0,-0.1,0.083333333,-0.2125,-0.375,0.125,0.5,0,0,-0.1,0.083333333,-0.2125,-0.375,0.125,0.5,0,0,-0.1,0.083333333,-0.2125,-0.375,0.125,0.5,0,0,-0.1,0.083333333,-0.2125,-0.375,0.125,0.5,0,0,-0.41714876,0.157024793,-0.02231405,-0.367252066,0.055785124,0.446280992,0,0,1.403678918,1.119851572,1.48976197,1.252160786,0.455274839,0.003576457,0,0,1.5,1.011904762,1.339285714,1.339285714,0.535714286,0,0,0,1.5,1.011904762,1.339285714,1.339285714,0.535714286,0,0,0,1.5,1.011904762,1.339285714,1.339285714,0.535714286,0,0,0,1.5,1.011904762,1.339285714,1.339285714,0.535714286,0,0,0,1.5,1.011904762,1.339285714,1.339285714,0.535714286,0,0,0,1.865702479,0.73117539,1.099173554,1.482438017,0.650826446,0,0,0,24.42244584,12.21122292,17.60768039,24.42244584,3.488920834,12.21123661,-5.33E-15,0.059818207,0.008545458,-1.971511645,20.89632952,2.985189932,2.127701466,24.42244584,12.21122292,17.60768039,24.42244584,3.488920834,12.21123661,-5.33E-15,0.059818207,0.008545458,-1.971511645,20.89632952,2.985189932,2.127701466,24.42244584,12.21122292,17.60768039,24.42244584,3.488920834,12.21123661,-5.33E-15,0.059818207,0.008545458,-1.971511645,20.89632952,2.985189932,2.127701466,24.42244584,12.21122292,17.60768039,24.42244584,3.488920834,12.21123661,-5.33E-15,0.059818207,0.008545458,-1.971511645,20.89632952,2.985189932,2.127701466,24.42244584,12.21122292,17.60768039,24.42244584,3.488920834,12.21123661,-5.33E-15,0.059818207,0.008545458,-1.971511645,20.89632952,2.985189932,2.127701466,24.42244584,12.21122292,17.60768039,24.42244584,3.488920834,12.21123661,-5.33E-15,0.059818207,0.008545458,-1.971511645,20.89632952,2.985189932,2.127701466,30.2409109,15.04545545,22.5305401,30.13376805,4.304824007,15.04545618,-0.15,0.167281769,0.023897396,-1.251652953,18.2665065,2.609500928,2.033548396,0,11.89,12.11009426,-0.153639344,0.068921171,5.616117035,8.314258932,6,20,19,19,5,1,1,0,0,1,15.304898,3.593181451,2.993114368,2.556846255,2.333552793,1.816996646,1.20692899,0.315375403,0.083923071,1.909216937,1.578239261,1.358666433,1.249629723,0.763821851,0.452883277,0.083923071,0.083923071,3.612157747,3.033256128,2.61678215,2.405454588,1.892620384,1.309358266,0.449217649,0.270913902,1.858375327,1.495433799,1.253791545,1.134540686,0.646758607,0.304463535,0.270913902,0.270913902,3.699546511,3.209866368,2.871584153,2.704236987,2.204803331,1.728440641,0.956864849,0.943918427,1.71778117,1.244931576,0.920423874,0.76031856,0.262911345,0.194534246,0.943918427,0.943918427,3.626346224,3.062871611,2.660534434,2.457539916,1.947313382,1.383296856,0.543509191,0.399277246,1.826779863,1.44203044,1.184853236,1.058262671,0.568986494,0.204835437,0.399277246,0.399277246,3.744496279,3.295191687,2.989445582,2.838982085,2.344137657,1.912521164,1.207644823,1.207644823,1.676784036,1.165221288,0.808568021,0.631337262,0.129021658,0.372529671,1.159497077,1.207644823,3.607241692,3.106837892,2.752290473,2.560542902,2.023895638,1.413755002,0.622799512,0.538461538,1.839855255,1.372000175,1.079930245,0.945158287,0.485098475,0.134551444,0.538461538,0.538461538,0,0,0,1,1,4,0,1,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.455341801,0,0.166666667,0,1.276142375,0.707106781,0.23570226,0.955341801,0.5,0.166666667,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,5.654700538,2.809401077,2.187392609,1.366025404,0.333333333,0,0,0,0.807814363,0.468233513,0.312484658,0.227670901,0.166666667,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,3,0,1,0,0,0,0,0,0,0,0,4,0,0,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.62962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.777083333,0.870833333,0,0.300694444,0,0,0,0,0,0,0,0,8.643518519,0,0,0,2.157407407,0,0.726851852,0,0,1.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.243402778,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.078703704,0,0,0,2.157407407,0,0.726851852,0,0,1.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.157407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.290277778,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.203703704,0,0,0,2.157407407,0,0.726851852,0,0,1.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13,1.857142857,0.300694444,2.203703704,0.041666667,0.726851852,4.439402778,0.606481481,0.203703704,1.601851852,0.606481481,0.203703704,1.601851852,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0.28571,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.46333,0.92333,7.55695,1.09362,0.15623,2.58371,0.3691,3.18073,0.59701,0.08529,0.23327,0.03332,0.23327,0.03332,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.911092835,2.819957899,3.105672184,2.896514212,2.269040294,19.28421252,40.13294954,59.21911587,65.21911587,60.82679845,47.64984618,0.209068641,0.435098981,0.642020516,0.707069159,0.659450111,0.516592968,3.474021589,2.481224587,1.572359524,1.286645239,1.495803211,2.123277129,0.209068641,0.435098981,0.642020516,0.707069159,0.659450111,0.516592968,6.73287657,15.92600679,17.88885756,18.17680757,15.6669119,8.13722489,27.64912502,17.29583807,16.76663476,16.07461626,14.81966843,11.05482492,7,3.06122449,2.666666667,7,2,5,2.23,1.0519,1.944161297,1.941967087,4.930998067,0,0,1.414213562,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.096,0.164,0.169,2.956,7,6,2,0,0,0,0,0,0,28,2.079441542,2.397895273,2.397895273,1.609437912,0,0,0,0,0,0,3.663561646,1.357142857,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,5,0.833333333,0,2,4,1,2,1.111111111,0.25,0,0,0,0,0,0,0,0.333333333,0.158730159,0.041666667,0,0,0,0,0,0,0,0.533730159,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,0,126.9918924,3.807354922,3.295836866,3.970291914,4.691347882,5.398162702,6.120297419,6.834108739,7.556427969,8.272059622,8.994296558,68.13282967,2.564949357,0,3.713572067,0,5.056245805,0,6.463029457,0,7.890956716,8.168486417,98.10955045,4.671883355,12.50524286,1.786463266,0,0,0,46,6,3.34,26,1.21392978,2.102946878,3.018046133,3.717845597,4.278004439,4.549546072,0,0,0,0,73.93298852,84.09308182,97.63248345,53.91948729,16.11311897,4.62262998,0,0,0,0,277.6846495,344.3025871,453.9960489,381.7288475,221.7231652,141.4169274,0,0,0,0,8.829851824,14.94161962,21.45621727,26.07721728,29.16509346,30.5659615,0,0,0,0,2.102697706,2.774125375,3.814708038,3.652133999,2.611720804,2.022786895,0,0,0,0,174.0791173,327.7368239,467.9071222,601.1534709,757.3473242,841.2913773,0,0,0,0,2.851264938,3.928696917,5.909515611,6.481325144,5.338897705,4.549546072,0,0,0,0,0.435895094,0.582745242,0.80636231,0.788329037,0.584046568,0.465873518,0,0,0,0,306.1249039,121.220101,8.92972266,71.70292533,-28.39310275,-4.282789009,234.4219786,149.6132038,13.21251167,0.810223282,0.320834231,0.02363437,0.189776718,-0.075148257,-0.011335293,115.6625079,45.80032764,3.373897729,27.09136063,-10.72770438,-1.618156875,0.143657642,0.221923887,4.43013381,3.712938109,377.8278293,0,1,0,389.4083328,19.73343186,7.302446999,529.815539,23.01772228,8.091733369,644.027565,25.37769818,8.635778317,1.552214313,1.526762986,353.9886318,239.133778,159.1408835,1.480295401,2.22437267,1.502654584,3.903908137,3.513343931,6.250256841,0.77900512,5.804133993,4.788733648,2.407107441,11.95770779,10.65220133,8.620789991,7.258709469,7.918510375,6.850529256,1.601408803,1.408394068,0.00195541,3.87E-25,1.48E-68,1.09E-133,1.54E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.487103938,4.77408223,0.13328955,5.348680081,1.427513038,0.603275457,0.770754089,0.947771941,0.181897355,0.028686558,0.009919482,1.38E-05,2.73E-27,1.04E-70,7.66E-136,1.09E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.572423127,4.775061389,0.475557993,5.907901574,2.678999556,1.989544221,1.60785962,1.970510754,0.84615895,0.162258107,0.103368278,1.44E-04,2.84E-26,1.08E-69,7.98E-135,1.13E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.478629223,4.787125094,2.224793691,11.27369501,9.864079698,8.041423827,6.689157609,7.350211366,6.195723152,1.438812649,1.254853791,0.001742235,3.45E-25,1.32E-68,9.69E-134,1.38E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.317460726,4.77633081,0.746699166,6.526304087,3.725602042,3.015486654,2.327173358,2.791397997,1.509092102,0.309609936,0.224529596,3.12E-04,6.17E-26,2.35E-69,1.73E-134,2.46E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.009331645,4.795497374,3.131083913,14.80755157,13.82390676,10.86645227,9.563209894,10.18339133,9.554928756,2.278725131,2.05401023,0.002851781,5.64E-25,2.15E-68,1.59E-133,2.25E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.293254707,4.178313065,1.035646883,7.39987021,4.688445801,3.91269531,3.409127413,4.062935949,2.490282516,0.529964227,0.408351122,5.67E-04,1.12E-25,4.28E-69,3.15E-134,4.48E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.080259607,2.142448321,0.580999059,0.530740028,0.369151704,0.480100922,0.466555839,0.389797718,5.803706987,9.633685414,19.27157776,0.349837597,1.336454479,2.218105173,1.401363224,0.226018824,0.576807319,0.3644176,0.251868062,0.199436394,0.058959366,3.845487221,3.926439007,8.474476589,0.411837378,0.510263822,2.555822262,1.700364168,0.36704212,0.552821959,0.367787175,0.330701113,0.293329424,0.155558794,4.623228551,5.908028286,12.12635898,0.3809137,0.779589331,3.058478409,2.124534733,0.57221384,0.531426201,0.36914873,0.473205166,0.458723824,0.378100871,5.755226983,9.463635466,18.93701849,0.350862396,1.310029862,2.708469662,1.831545893,0.429884318,0.544974694,0.368527725,0.370676001,0.34039684,0.213401341,4.969899872,6.912367975,14.01478917,0.370253628,0.924474182,3.148571383,2.198411035,0.608502518,0.5286843,0.369140558,0.50212744,0.491469343,0.427566808,5.955484936,10.17550634,20.34295691,0.346737287,1.42116359,3.063626836,2.126778543,0.572091826,0.531649166,0.369072377,0.474808347,0.459696067,0.378020658,5.762497205,9.485044309,18.97509495,0.351082316,1.312525072 +UMLRON0288,L,"cis-3,4-dimethyl-2-pentene",C/C=C(/C)\C(C)C,643784, (cis) reported; [9] has RON of 96.2,"Sandia, UML",[1],C7H14,PubChem,,96,0,1.3468,1.81387024,21.7836,12.374344,0,0,12,4,8,0,4,0,0,0,0,0,0,0,0,0,585.184996,529.649067,415.695506,248.233273,78.738912,9.144576,0,0,0,1942.737562,2188.443636,2180.902434,1558.996044,874.9221648,279.7536999,0,0,0,83.909776,79.562604,126.568136,111.51082,83.016576,60.466176,0,0,0,14.71250324,17.27505448,19.38092053,14.80954481,9.348943289,4.001516144,0,0,0,1986.518641,1605.36345,2894.320101,2646.198302,2028.241198,1664.258868,0,0,0,24,28,34,27,18,9,0,0,0,48.76541633,48.14991518,23.09419478,15.51457956,6.561576,1.016064,0,0,0,161.8947969,198.9494215,121.1612463,97.43725273,72.9101804,31.08374443,0,0,0,6.992481333,7.232964,7.031563111,6.96942625,6.918048,6.718464,0,0,0,1.226041937,1.570459498,1.076717807,0.925596551,0.779078607,0.444612905,0,0,0,165.54322,145.9421318,160.7955612,165.3873939,169.0200999,184.917652,0,0,0,2,2.545454545,1.888888889,1.6875,1.5,1,0,0,0,0.031893696,-0.001085686,-0.017541671,-0.005558304,0.001594823,0.00664399,0,0,0,322.8426907,-53.80711511,-80.71067267,-67.25889389,-80.71067267,121.066009,0,0,0,600.3397692,-100.0566282,-150.0849423,-125.0707852,-150.0849423,225.1274134,0,0,0,0.063242667,-0.010540444,-0.015810667,-0.013175556,-0.015810667,0.023716,0,0,0,2.683798093,-0.447299682,-0.670949523,-0.559124603,-0.670949523,1.006424285,0,0,0,14.57843384,-2.429738973,-3.644608459,-3.037173716,-3.644608459,5.466912688,0,0,0,2.666666667,-0.444444444,-0.666666667,-0.555555556,-0.666666667,1,0,0,0,0.002657808,-9.87E-05,-9.75E-04,-3.47E-04,1.33E-04,7.38E-04,0,0,0,26.90355756,-4.891555919,-4.483926259,-4.203680868,-6.725889389,13.45177878,0,0,0,50.0283141,-9.096057109,-8.33805235,-7.816924078,-12.50707852,25.01415705,0,0,0,0.005270222,-9.58E-04,-8.78E-04,-8.23E-04,-0.001317556,0.002635111,0,0,0,0.223649841,-0.040663607,-0.037274974,-0.034945288,-0.05591246,0.111824921,0,0,0,1.214869486,-0.220885361,-0.202478248,-0.189823357,-0.303717372,0.607434743,0,0,0,0.222222222,-0.04040404,-0.037037037,-0.034722222,-0.055555556,0.111111111,0,0,0,-0.03713539,-0.36666956,-0.130706962,0.05000434,0.27775563,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,1.262950796,1.46874977,1.194221328,0.546875344,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,0,11.89,12.11003668,-0.181285491,0.043200545,4.966579476,5.802081888,3,11,10,10,2,1,1,0,0,1,8.745656,3.390710197,2.584509236,1.837979866,0.786375036,0.083923071,0.083923071,0.083923071,0.083923071,1.789553149,1.376366662,0.827698544,0.270263698,0.083923071,0.083923071,0.083923071,0.083923071,3.416060273,2.64365993,1.91709112,0.918327447,0.270913902,0.270913902,0.270913902,0.270913902,1.728563216,1.272632769,0.70580992,0.104477258,0.270913902,0.270913902,0.270913902,0.270913902,3.530445574,2.895090214,2.24378896,1.436958256,0.943918427,0.943918427,0.943918427,0.943918427,1.553819833,0.94329689,0.304605346,0.471112772,0.943918427,0.943918427,0.943918427,0.943918427,3.434896943,2.686833051,1.974314718,1.01227312,0.399277246,0.399277246,0.399277246,0.399277246,1.690101937,1.204479793,0.624663305,0.008036186,0.399277246,0.399277246,0.399277246,0.399277246,3.58776046,3.011439194,2.389604742,1.655137903,1.207644823,1.207644823,1.207644823,1.207644823,1.501028367,0.832901232,0.164472647,0.685039239,1.207644823,1.207644823,1.207644823,1.207644823,3.45057003,2.722232483,2.020893764,1.08777252,0.5,0.5,0.5,0.5,1.661745534,1.152761705,0.562473031,0.095511473,0.5,0.5,0.5,0.5,0,0,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,3.154700538,1.488033872,0.666666667,0.333333333,0,0,0,0,0.788675135,0.496011291,0.333333333,0.333333333,0,0,0,0,6.167311215,11.55134741,10.90196078,11.04,7.194217964,92.11302036,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.50859,20.218,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,2,0,2,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.719444444,0,0,0,0.580555556,0,0.719444444,0,0,0,0,0,0,0,0,4,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0,0,0.290277778,0,0.359722222,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0,0,0.290277778,0,0.359722222,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,2,0.359722222,2,0.290277778,2,2.848,0,0,0,0,0,0,2,0.5,0,0,0.43333,0.7,0.41429,0.41429,0.7,0.01905,0.01905,0,0,0.71429,0,0,0.5,0,0,2.5,0.625,1.5,0.375,1,0.25,-0.5,-0.125,0,0,2.08333,0.52083,2.95465,0.87132,0.21783,1.25,0.3125,1.91421,0.66421,0.16605,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3,0,0,0,0,0,0,0.5,0.918295834,1.79248125,1.79248125,1.79248125,1.361654167,0.5,11.01955001,21.509775,21.509775,21.509775,16.33985,6,0.256152145,0.5,0.5,0.5,0.379823824,0.139471473,2.666666667,1.79248125,1.79248125,1.79248125,2.223308334,3.084962501,0.256152145,0.5,0.5,0.5,0.379823824,0.139471473,6.73287657,11.27796084,11.27796084,11.27796084,6.108035837,0.503912516,15.79950001,14.20150417,14.20150417,14.20150417,9.031579168,3,4,3,4,4,2,4,1.9,0.6292,0.333333333,2.828427125,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,1.71,2,1,0,0,0,0,0,0,0,10,1.609437912,1.609437912,1.098612289,0,0,0,0,0,0,0,2.708050201,1.4,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.666666667,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,0,75.1039385,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,56.06260026,4.671883355,6.871320344,1.717830086,0,0,0,10,1,2.31,10,1.188381171,2.062245338,2.938422719,3.670697796,3.646026781,0,0,0,0,0,66.44930993,55.19843878,47.31087227,22.34560089,3.704596555,0,0,0,0,0,257.9906488,273.1414937,296.3819246,254.5077621,113.3321646,0,0,0,0,0,8.625049279,14.56021285,20.52271109,25.331442,24.49569967,0,0,0,0,0,1.98329879,2.367551495,2.796948692,2.754820058,1.621070558,0,0,0,0,0,171.5963178,327.2299034,482.5371665,625.4097292,674.2147115,0,0,0,0,0,3.164635273,4.09043411,5.071786231,5.349166529,3.646026781,0,0,0,0,0,0.412255991,0.503417293,0.603332873,0.606836752,0.373353142,0,0,0,0,0,258.8943309,71.51781396,8.635737499,125.8575031,-34.76728696,-8.35341346,133.0368278,106.2851009,16.98915096,0.672886541,0.185880372,0.022444955,0.327113459,-0.090362888,-0.021711173,99.61006863,27.51661009,3.322615841,48.42390516,-13.37677742,-3.213991149,0.204931531,0.330482582,5.780219156,14.73760232,384.751834,0,1,0,208.6364847,14.44425438,5.93102952,289.0903564,17.00265733,6.612177978,270.4703091,16.44598155,6.467054672,1.312323395,1.301099595,117.7638262,91.24272082,32.93474833,1.290665437,3.575671051,2.770408929,2.815749575,3.213892777,4.79679996,0.492520222,3.410671468,2.085788716,1.608183373,5.264637423,4.643380967,4.168865527,2.138523067,0.00147281,0.032145606,6.66E-22,2.66E-63,2.05E-126,3.04E-211,8.715264E-318,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.286240655,2.081795326,0.132204854,2.051667988,1.18464682,0.198502683,0.056290728,1.04E-05,2.26E-04,4.69E-24,1.87E-65,1.44E-128,2.14E-213,6.1383E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.924003595,2.082062234,0.428591258,2.339914423,1.682438363,0.740527141,0.262880602,1.08E-04,0.002359306,4.88E-23,1.95E-64,1.50E-127,2.23E-212,6.3965E-319,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.219396053,2.085350299,1.5160943,4.937900881,4.357981998,3.830847752,1.933774118,0.001312248,0.028641156,5.93E-22,2.37E-63,1.82E-126,2.71E-211,7.765146E-318,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.361807859,2.082408239,0.633503851,2.646931385,2.085978461,1.192306794,0.469556879,2.35E-04,0.005124727,1.06E-22,4.24E-64,3.26E-127,4.85E-212,1.389406E-318,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.118878238,2.087632187,1.951112872,6.622047399,5.783717721,5.528207483,2.984357563,0.00214795,0.046881346,9.71E-22,3.88E-63,2.99E-126,4.44E-211,1.271039E-317,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.705339355,2.082772525,0.795120455,2.950052368,2.437863318,1.592232794,0.668699905,3.68E-04,0.008036402,1.66E-22,6.64E-64,5.12E-127,7.60E-212,2.178815E-318,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.350917566,1.021612637,0.265160236,0.646266527,0.280841005,0.623551537,0.476133436,0.333330053,3.63769044,3.295987999,7.570520962,0.46939979,1.433015026,1.570189906,0.556880221,0.057164366,0.718874238,0.254954412,0.278150001,0.141473247,0.015492035,2.184234492,0.996000316,3.230219769,0.578311357,0.435115283,1.880269466,0.741456977,0.139773574,0.680887001,0.268497908,0.398864546,0.250798688,0.092620649,2.761500017,1.760586989,4.716950785,0.521330502,0.742283882,2.331588938,1.010107183,0.260010844,0.647356645,0.28045235,0.613339715,0.465469244,0.320509274,3.601706965,3.224031964,7.438104699,0.471034968,1.399318233,2.018484747,0.823730375,0.176595898,0.668635676,0.27286583,0.45966369,0.309545471,0.147849174,3.018811021,2.164610732,5.477045492,0.502953514,0.917058336,2.411430343,1.05763314,0.281281606,0.642988921,0.282009552,0.656067209,0.510301167,0.375094197,3.75034509,3.526192396,7.993920527,0.464483382,1.541462573,2.329280635,1.008733155,0.259395883,0.647488289,0.280405416,0.612125813,0.464203757,0.31899497,3.597409673,3.215489638,7.422381741,0.471232434,1.39532454 +UMLRON0289,L,cis-2-butene,C/C=C\C,5287573,Sandia values from independent api report ,Sandia,,C4H8,PubChem,,100,0,2.4635,6.06883225,35.1779,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1360.019144,1004.86882,654.025179,227.07216,27.433728,0,0,3399.790734,4147.41404,5596.926009,5834.184158,4203.865984,2345.012795,839.2610996,0,0,146.842108,144.889944,254.827808,306.15304,391.406124,188.583552,181.398528,0,0,25.74688067,32.32302034,45.46326382,51.90810247,42.40976794,24.04531372,12.00454843,0,0,3476.407621,2904.481805,5683.327436,6606.137202,9889.009713,4420.464727,4992.776605,0,0,39.5625,46,67,87.75,78.75,45,27,0,0,48.76541633,51.7541979,37.77830956,23.36904233,11.47412595,8.41008,1.016064,0,0,161.8947969,207.370702,155.4701669,135.6787013,73.7520348,86.85232572,31.08374443,0,0,6.992481333,7.2444972,7.078550222,7.11983814,6.866774105,6.984576,6.718464,0,0,1.226041937,1.616151017,1.262868439,1.207165174,0.744031016,0.890567175,0.444612905,0,0,165.54322,145.2240902,157.8702066,153.6310977,173.4913985,163.7209158,184.917652,0,0,1.883928571,2.3,1.861111111,2.040697674,1.381578947,1.666666667,1,0,0,0.041051557,-0.009102279,0.011367506,-0.038095306,0.009590678,-0.011735868,0.01744949,0,0,564.9747087,-53.80711511,161.4213453,-672.5889389,282.4873543,-363.198027,363.198027,0,0,1050.594596,-100.0566282,300.1698846,-1250.707852,525.297298,-675.3822403,675.3822403,0,0,0.110674667,-0.010540444,0.031621333,-0.131755556,0.055337333,-0.071148,0.071148,0,0,4.696646663,-0.447299682,1.341899046,-5.591246027,2.348323331,-3.019272855,3.019272855,0,0,25.51225921,-2.429738973,7.289216918,-30.37173716,12.75612961,-16.40073807,16.40073807,0,0,4.202380952,-2.073696145,3.370323129,-5.292375283,2.468537415,-2.965561224,2.391581633,0,0,0.001954836,-4.55E-04,3.16E-04,-8.86E-04,1.68E-04,-4.35E-04,6.46E-04,0,0,26.90355756,-2.690355756,4.483926259,-15.64160323,4.955918497,-13.45177878,13.45177878,0,0,50.0283141,-5.00283141,8.33805235,-29.08622913,9.215742071,-25.01415705,25.01415705,0,0,0.005270222,-5.27E-04,8.78E-04,-0.003064083,9.71E-04,-0.002635111,0.002635111,0,0,0.223649841,-0.022364984,0.037274974,-0.130028977,0.041198655,-0.111824921,0.111824921,0,0,1.214869486,-0.121486949,0.202478248,-0.706319469,0.223791747,-0.607434743,0.607434743,0,0,0.200113379,-0.103684807,0.093620087,-0.123078495,0.043307674,-0.109835601,0.088577098,0,0,-0.232814374,0.161529687,-0.453202889,0.086072437,-0.222352035,0.330604407,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.518130312,0.467835222,-0.615043811,0.216415685,-0.548866856,0.442634561,0,0,1.533769477,0.845365359,1.797547014,0.751687544,1.062051929,0.002790512,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.933427762,0.475094429,1.916134133,0.508796779,1.586402266,0,0,0,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,31.45936729,15.63325508,22.79933797,31.32161219,4.474516027,15.63325547,-0.192857143,0.083883607,0.011983372,-1.734827555,19.95665862,2.850951232,2.095493997,0,11.89,12.11009426,-0.149692077,0.07345474,5.452932561,8.75882233,6,20,19,19,5,1,1,0,0,1,15.304898,3.592945775,3.03536851,2.333552793,2.333552793,2.132703992,0.97217995,0.397438056,0.083923071,1.916965117,1.584690093,1.249629723,1.249629723,0.986966235,0.306322557,0.083923071,0.083923071,3.612810954,3.071842816,2.405454588,2.405454588,2.198575277,1.078967397,0.517752522,0.270913902,1.865607486,1.504944066,1.134540686,1.134540686,0.878632756,0.14710905,0.270913902,0.270913902,3.703490857,3.234624645,2.704236987,2.704236987,2.475319574,1.525610297,0.962613738,0.943918427,1.722261812,1.267372631,0.76031856,0.76031856,0.527660496,0.391309536,0.943918427,0.943918427,3.627621204,3.098879345,2.457539916,2.457539916,2.246497805,1.156767953,0.601546029,0.399277246,1.833579553,1.453807582,1.058262671,1.058262671,0.806917596,0.039898625,0.399277246,0.399277246,3.749679443,3.314543351,2.838982085,2.838982085,2.601220393,1.724326993,1.207644823,1.207644823,1.679990051,1.193129366,0.631337262,0.631337262,0.407435467,0.583009083,1.138354913,1.207644823,3.604957952,3.143819826,2.544530374,2.544530374,2.330046894,1.233221222,0.572688397,0.528301887,1.854445472,1.381862399,0.959624714,0.959624714,0.71290703,0.06448061,0.528301887,0.528301887,0,0,0,2,0,4,0,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.366025404,0.288675135,0,0,0.75,1,0.25,0.5,0.666666667,0.166666667,5.914213562,3.060660172,3.310660172,1,0.75,0,0,0,0.844887652,0.510110029,0.413832521,0.25,0.25,0,0,0,5.654700538,2.699358737,2.866025404,0.666666667,0.5,0,0,0,0.807814363,0.449893123,0.358253175,0.166666667,0.166666667,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,1,0,2,0,0,0,0,0,0,0,0,4,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.270833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.589236111,0,0,0.730208333,0.290277778,0,0.589236111,0,0,0,0,0,0,0,0,8.609375,0,0,0,4.270833333,0,0,0,0,0,0,0,0.369791667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.276388889,0,0,0.243402778,0.290277778,0,0.276388889,0,0,0,0,0,0,0,0,2.046875,0,0,0,2.083333333,0,0,0,0,0,0,0,0.369791667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.1875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.312847222,0,0,0.243402778,0.290277778,0,0.312847222,0,0,0,0,0,0,0,0,2.1875,0,0,0,2.1875,0,0,0,0,0,0,0,0.369791667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.25,1.892857143,0.312847222,2.1875,0.090277778,0.369791667,5.005682292,0.880208333,0.1875,1.760416667,0.880208333,0.1875,1.760416667,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0,0.14286,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.54167,0.93452,7.77542,1.23376,0.17625,2.5,0.35714,3.06066,0.56066,0.08009,0.35334,0.05048,0.35334,0.05048,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.926868018,2.485693612,2.485693612,2.371773735,1.744299818,19.28421252,40.46422837,52.19956586,52.19956586,49.80724844,36.63029617,0.209068641,0.438690521,0.565918483,0.565918483,0.539982316,0.397125173,3.474021589,2.465449405,1.90662381,1.90662381,2.020543688,2.648017605,0.209068641,0.438690521,0.565918483,0.565918483,0.539982316,0.397125173,6.73287657,14.49989563,16.10996786,15.06309406,13.69605553,8.465469549,27.64912502,19.78804626,18.802954,19.94215278,17.32016641,14.60111277,7,2.34375,6,7,2,5,2.23,1.0519,2.121320344,3.746748298,0,3.039342743,1,0,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.158,0.135,0.148,0.155,2.795,8,4,3,0,0,0,0,0,0,28,2.079441542,2.397895273,2.197224577,1.945910149,0,0,0,0,0,0,3.663561646,1.357142857,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,5,0.833333333,0,2,4,1,3,0.666666667,0.375,0,0,0,0,0,0,0,0.5,0.083333333,0.09375,0,0,0,0,0,0,0,0.677083333,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,0,126.9918924,3.807354922,3.36729583,3.970291914,4.812184355,5.433722004,6.285998095,6.91274282,7.767687277,8.395929104,9.25157828,69.19742968,2.564949357,0,3.80666249,0,5.198497031,0,6.650279049,0,8.123557835,8.386628821,98.10955045,4.671883355,12.44898539,1.778426484,0,0,0,46,4,3.69,28,1.214785895,2.114046262,3.031255483,3.589275718,4.280641801,4.364847604,0,0,0,0,74.13042413,93.12798254,75.00734057,43.33474744,34.56213967,4.434964516,0,0,0,0,278.219961,366.4454892,423.149602,274.302199,360.9347142,135.6758074,0,0,0,0,8.836543933,15.04956522,21.60880854,24.6823514,29.8466997,29.32507149,0,0,0,0,2.106022522,2.899990847,3.731578625,2.739527269,3.725445035,1.940667572,0,0,0,0,174.1729397,327.6255021,463.7728889,619.9433028,704.9541186,807.1373704,0,0,0,0,2.867866779,4.196254918,6.266343296,5.058933485,7.004712513,4.364847604,0,0,0,0,0.436557066,0.607269826,0.793892406,0.598407429,0.81316985,0.446960395,0,0,0,0,314.6640146,128.8986112,9.480774306,70.57077387,-28.90853204,-4.436318516,244.0932407,157.8071433,13.91709282,0.816811005,0.334597537,0.024610379,0.183188995,-0.075041333,-0.011515882,121.2195251,49.65622923,3.652324084,27.18631714,-11.13657222,-1.709024225,0.140165217,0.221003243,2.651134148,3.32917164,385.2347885,0,1,0,387.265146,19.67905348,7.289025519,527.878432,22.97560515,8.081859684,653.9363722,25.57217965,8.67984223,1.412227074,1.333894833,298.1741824,286.3987584,129.1336979,1.041115486,2.309034646,2.217846798,3.775817963,3.47890568,6.39381026,0.837879738,5.892294123,4.606662914,3.432132211,12.48297788,9.405166364,14.01614212,4.270275863,1.091148129,3.169423877,0.754400071,1.594075424,0.323801022,1.10E-16,7.20E-54,9.09E-113,2.22E-193,1.04E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0.494503565,4.590431371,0.138028916,7.011342032,0.487064831,1.238627732,0.162738463,0.132950807,0.114116877,0.010040745,0.0112334,0.002280557,7.74E-19,5.07E-56,6.40E-115,1.56E-195,7.33E-298,0,0,0,0,0,0,0,0,0,0,0,0,0,1.596307695,4.591516111,0.544417495,7.452778243,1.52128765,3.78625346,0.566648642,0.280061364,0.468438741,0.067514415,0.117012037,0.023765163,8.07E-18,5.28E-55,6.67E-114,1.63E-194,7.64E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,5.561845253,4.604880873,3.136364703,11.90905949,8.581092102,13.21249573,3.865094542,1.015338085,2.887099633,0.675412007,1.42029677,0.288500881,9.80E-17,6.41E-54,8.10E-113,1.97E-193,9.27E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,2.352661689,4.592922428,0.902373834,7.956362872,2.464673944,5.553093452,0.972940015,0.395442255,0.79163967,0.13501718,0.254150532,0.05162111,1.75E-17,1.15E-54,1.45E-113,3.53E-194,1.66E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,7.115797552,4.614156127,4.634075176,14.87924773,12.77212053,17.01599936,5.945018372,1.391311013,4.322927373,1.084801993,2.324788981,0.472233359,1.60E-16,1.05E-53,1.33E-112,3.23E-193,1.52E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,3.28911509,3.670487655,1.324006461,9.216300441,3.69010751,7.57148447,1.522854244,0.551607004,1.217814809,0.227717611,0.444933542,0.090373799,3.07E-17,2.01E-54,2.54E-113,6.18E-194,2.91E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,3.148721348,1.23486433,1.090214624,0.575234969,0.225595429,0.483770052,0.475315314,0.385294609,5.473800302,8.667292888,18.38011331,0.362852454,1.344379975,2.325311941,0.734361145,0.598012067,0.635733215,0.200772104,0.269907843,0.178667707,0.115928127,3.657685152,3.537340165,8.216201928,0.453599822,0.564503676,2.649416788,0.936071406,0.793498946,0.605029589,0.213764365,0.346200554,0.284268409,0.204108755,4.378987141,5.325124403,11.67202329,0.407544383,0.834577718,3.128070243,1.222739089,1.078029076,0.576195128,0.225230334,0.477590963,0.466822814,0.376729713,5.428838407,8.515112721,18.06721157,0.364292693,1.32114349,2.795222617,1.024643013,0.880635495,0.594664812,0.21798591,0.383836799,0.336820771,0.251397698,4.700501125,6.228014584,13.45074852,0.391997218,0.972055268,3.213445501,1.272754163,1.128364323,0.572341059,0.226687979,0.503412317,0.502239275,0.412731502,5.614563988,9.151993788,19.38148452,0.358511589,1.418383094,3.130893187,1.223577384,1.078513559,0.576275047,0.225212766,0.478484907,0.467632116,0.377068405,5.43298413,8.527245649,18.09189669,0.364412571,1.323185429 +UMLRON0290,L,"cis-4,4-dimethyl-2-pentene",C/C=C\C(C)(C)C,5326157,Sandia values from independent api report ,Sandia,,C7H14,PubChem,,100.5,0,2.4635,6.06883225,35.1779,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1360.019144,1004.86882,654.025179,227.07216,27.433728,0,0,3399.790734,4147.41404,5596.926009,5834.184158,4203.865984,2345.012795,839.2610996,0,0,146.842108,144.889944,254.827808,306.15304,391.406124,188.583552,181.398528,0,0,25.74688067,32.32302034,45.46326382,51.90810247,42.40976794,24.04531372,12.00454843,0,0,3476.407621,2904.481805,5683.327436,6606.137202,9889.009713,4420.464727,4992.776605,0,0,39.5625,46,67,87.75,78.75,45,27,0,0,48.76541633,51.7541979,37.77830956,23.36904233,11.47412595,8.41008,1.016064,0,0,161.8947969,207.370702,155.4701669,135.6787013,73.7520348,86.85232572,31.08374443,0,0,6.992481333,7.2444972,7.078550222,7.11983814,6.866774105,6.984576,6.718464,0,0,1.226041937,1.616151017,1.262868439,1.207165174,0.744031016,0.890567175,0.444612905,0,0,165.54322,145.2240902,157.8702066,153.6310977,173.4913985,163.7209158,184.917652,0,0,1.883928571,2.3,1.861111111,2.040697674,1.381578947,1.666666667,1,0,0,0.041051557,-0.009102279,0.011367506,-0.038095306,0.009590678,-0.011735868,0.01744949,0,0,564.9747087,-53.80711511,161.4213453,-672.5889389,282.4873543,-363.198027,363.198027,0,0,1050.594596,-100.0566282,300.1698846,-1250.707852,525.297298,-675.3822403,675.3822403,0,0,0.110674667,-0.010540444,0.031621333,-0.131755556,0.055337333,-0.071148,0.071148,0,0,4.696646663,-0.447299682,1.341899046,-5.591246027,2.348323331,-3.019272855,3.019272855,0,0,25.51225921,-2.429738973,7.289216918,-30.37173716,12.75612961,-16.40073807,16.40073807,0,0,4.202380952,-2.073696145,3.370323129,-5.292375283,2.468537415,-2.965561224,2.391581633,0,0,0.001954836,-4.55E-04,3.16E-04,-8.86E-04,1.68E-04,-4.35E-04,6.46E-04,0,0,26.90355756,-2.690355756,4.483926259,-15.64160323,4.955918497,-13.45177878,13.45177878,0,0,50.0283141,-5.00283141,8.33805235,-29.08622913,9.215742071,-25.01415705,25.01415705,0,0,0.005270222,-5.27E-04,8.78E-04,-0.003064083,9.71E-04,-0.002635111,0.002635111,0,0,0.223649841,-0.022364984,0.037274974,-0.130028977,0.041198655,-0.111824921,0.111824921,0,0,1.214869486,-0.121486949,0.202478248,-0.706319469,0.223791747,-0.607434743,0.607434743,0,0,0.200113379,-0.103684807,0.093620087,-0.123078495,0.043307674,-0.109835601,0.088577098,0,0,-0.232814374,0.161529687,-0.453202889,0.086072437,-0.222352035,0.330604407,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.518130312,0.467835222,-0.615043811,0.216415685,-0.548866856,0.442634561,0,0,1.533769477,0.845365359,1.797547014,0.751687544,1.062051929,0.002790512,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.933427762,0.475094429,1.916134133,0.508796779,1.586402266,0,0,0,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,31.45936729,15.63325508,22.79933797,31.32161219,4.474516027,15.63325547,-0.192857143,0.083883607,0.011983372,-1.734827555,19.95665862,2.850951232,2.095493997,0,11.89,12.11009426,-0.149692077,0.07345474,5.452932561,8.75882233,6,20,19,19,5,1,1,0,0,1,15.304898,3.592945775,3.03536851,2.333552793,2.333552793,2.132703992,0.97217995,0.397438056,0.083923071,1.916965117,1.584690093,1.249629723,1.249629723,0.986966235,0.306322557,0.083923071,0.083923071,3.612810954,3.071842816,2.405454588,2.405454588,2.198575277,1.078967397,0.517752522,0.270913902,1.865607486,1.504944066,1.134540686,1.134540686,0.878632756,0.14710905,0.270913902,0.270913902,3.703490857,3.234624645,2.704236987,2.704236987,2.475319574,1.525610297,0.962613738,0.943918427,1.722261812,1.267372631,0.76031856,0.76031856,0.527660496,0.391309536,0.943918427,0.943918427,3.627621204,3.098879345,2.457539916,2.457539916,2.246497805,1.156767953,0.601546029,0.399277246,1.833579553,1.453807582,1.058262671,1.058262671,0.806917596,0.039898625,0.399277246,0.399277246,3.749679443,3.314543351,2.838982085,2.838982085,2.601220393,1.724326993,1.207644823,1.207644823,1.679990051,1.193129366,0.631337262,0.631337262,0.407435467,0.583009083,1.138354913,1.207644823,3.604957952,3.143819826,2.544530374,2.544530374,2.330046894,1.233221222,0.572688397,0.528301887,1.854445472,1.381862399,0.959624714,0.959624714,0.71290703,0.06448061,0.528301887,0.528301887,0,0,0,2,0,4,0,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.366025404,0.288675135,0,0,0.75,1,0.25,0.5,0.666666667,0.166666667,5.914213562,3.060660172,3.310660172,1,0.75,0,0,0,0.844887652,0.510110029,0.413832521,0.25,0.25,0,0,0,5.654700538,2.699358737,2.866025404,0.666666667,0.5,0,0,0,0.807814363,0.449893123,0.358253175,0.166666667,0.166666667,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,1,0,2,0,0,0,0,0,0,0,0,4,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.270833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.589236111,0,0,0.730208333,0.290277778,0,0.589236111,0,0,0,0,0,0,0,0,8.609375,0,0,0,4.270833333,0,0,0,0,0,0,0,0.369791667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.276388889,0,0,0.243402778,0.290277778,0,0.276388889,0,0,0,0,0,0,0,0,2.046875,0,0,0,2.083333333,0,0,0,0,0,0,0,0.369791667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.1875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.312847222,0,0,0.243402778,0.290277778,0,0.312847222,0,0,0,0,0,0,0,0,2.1875,0,0,0,2.1875,0,0,0,0,0,0,0,0.369791667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.25,1.892857143,0.312847222,2.1875,0.090277778,0.369791667,5.005682292,0.880208333,0.1875,1.760416667,0.880208333,0.1875,1.760416667,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0,0.14286,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.54167,0.93452,7.77542,1.23376,0.17625,2.5,0.35714,3.06066,0.56066,0.08009,0.35334,0.05048,0.35334,0.05048,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.926868018,2.485693612,2.485693612,2.371773735,1.744299818,19.28421252,40.46422837,52.19956586,52.19956586,49.80724844,36.63029617,0.209068641,0.438690521,0.565918483,0.565918483,0.539982316,0.397125173,3.474021589,2.465449405,1.90662381,1.90662381,2.020543688,2.648017605,0.209068641,0.438690521,0.565918483,0.565918483,0.539982316,0.397125173,6.73287657,14.49989563,16.10996786,15.06309406,13.69605553,8.465469549,27.64912502,19.78804626,18.802954,19.94215278,17.32016641,14.60111277,7,2.34375,6,7,2,5,2.23,1.0519,2.121320344,3.746748298,0,3.039342743,1,0,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.158,0.135,0.148,0.155,2.795,8,4,3,0,0,0,0,0,0,28,2.079441542,2.397895273,2.197224577,1.945910149,0,0,0,0,0,0,3.663561646,1.357142857,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,5,0.833333333,0,2,4,1,3,0.666666667,0.375,0,0,0,0,0,0,0,0.5,0.083333333,0.09375,0,0,0,0,0,0,0,0.677083333,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,0,126.9918924,3.807354922,3.36729583,3.970291914,4.812184355,5.433722004,6.285998095,6.91274282,7.767687277,8.395929104,9.25157828,69.19742968,2.564949357,0,3.80666249,0,5.198497031,0,6.650279049,0,8.123557835,8.386628821,98.10955045,4.671883355,12.44898539,1.778426484,0,0,0,46,4,3.69,28,1.214600289,2.112618127,3.019006393,3.577110215,4.608808277,5.411015634,0,0,0,0,73.9721314,92.65433068,76.33644889,49.75321193,41.95067336,5.497938189,0,0,0,0,277.8340701,365.0428092,424.2424965,290.7068917,424.3476668,168.1946271,0,0,0,0,8.834723531,15.03685317,21.52034513,24.63226517,32.30538854,36.35371374,0,0,0,0,2.10383765,2.891036388,3.727942102,2.831723101,4.296865092,2.405807379,0,0,0,0,174.1756064,327.5861523,462.0915752,615.5120283,745.4127541,1000.592306,0,0,0,0,2.865931813,4.186544248,6.237739998,5.135491306,7.968987571,5.411015634,0,0,0,0,0.436131726,0.6054831,0.792732355,0.616219111,0.934302638,0.554088001,0,0,0,0,314.0003531,128.6267497,8.761661816,61.82804877,-25.32717201,-3.711007422,252.1723044,153.9539217,12.47266924,0.835488621,0.342248614,0.023312932,0.164511379,-0.067390255,-0.009874207,118.0102509,48.34158578,3.292881358,23.23673676,-9.51867058,-1.394701989,0.140165217,0.221003243,2.071295451,2.620245738,375.8284019,0,1,0,389.4208045,19.73374786,7.302524957,529.668241,23.01452239,8.090983418,642.4431632,25.34646254,8.628690743,1.526948746,1.281513845,352.9987907,348.9710535,118.9207105,1.011541751,2.968354201,2.934485104,3.958836889,3.465857944,6.786442381,0.958084402,5.736367686,4.629286135,1.553774754,14.20077836,6.742467923,11.17659287,3.23156339,9.70219151,8.297172352,1.968988012,4.436347064,4.12E-04,0.010454888,7.71E-23,1.10E-64,3.01E-128,1.60E-213,1.6284E-320,0,0,0,0,0,0,0,0,0,0,0,0,0.481419781,4.6209898,0.125446759,7.96640967,1.10332086,0.783849085,0.686270555,2.082568487,1.265149018,0.144073274,0.113297279,2.90E-06,7.36E-05,5.43E-25,7.73E-67,2.12E-130,1.12E-215,1.14E-322,0,0,0,0,0,0,0,0,0,0,0,0,1.55406668,4.621544307,0.408219644,8.443367541,1.775559104,2.631573054,1.105052013,2.76023856,2.121198524,0.47903577,0.536409522,3.02E-05,7.67E-04,5.66E-24,8.06E-66,2.21E-129,1.17E-214,1.196E-321,0,0,0,0,0,0,0,0,0,0,0,0,5.414663541,4.628375315,1.463227709,13.53765442,6.227848518,10.44354591,3.040094334,8.925237523,7.661726904,1.843987097,4.00920284,3.67E-04,0.009315117,6.87E-23,9.78E-65,2.68E-128,1.42E-213,1.451E-320,0,0,0,0,0,0,0,0,0,0,0,0,2.290405149,4.622263137,0.604941123,9.007017153,2.379204685,3.981231944,1.422452185,3.486032479,2.880866634,0.720123873,0.96324276,6.56E-05,0.001666742,1.23E-23,1.75E-65,4.80E-129,2.54E-214,2.594E-321,0,0,0,0,0,0,0,0,0,0,0,0,6.927493336,4.633115977,1.892556143,16.97560492,8.840207091,14.00065707,3.98096281,12.93143609,10.88264618,2.446889647,6.202365297,6.01E-04,0.015247471,1.12E-22,1.60E-64,4.39E-128,2.33E-213,2.375E-320,0,0,0,0,0,0,0,0,0,0,0,0,3.202077297,3.677536056,0.797610814,10.31359803,3.274965715,5.678720866,1.674576662,4.668278701,3.991178149,1.022244617,1.536075459,1.15E-04,0.002917989,2.15E-23,3.06E-65,8.41E-129,4.45E-214,4.545E-321,0,0,0,0,0,0,0,0,0,0,0,0,3.924725386,1.223241567,1.068542317,0.631339103,0.196773062,0.480067241,0.52709345,0.380066955,6.216509269,10.30170776,21.64816819,0.447008654,1.387227646,2.974765023,0.626888808,0.58544964,0.710458923,0.149718967,0.275806044,0.138633751,0.114092145,4.187103471,3.973433838,9.252311254,0.565688385,0.52853194,3.352056955,0.863742255,0.777318371,0.671335473,0.172986564,0.350198626,0.263019616,0.201128921,4.993117582,6.172331409,13.41602916,0.50700321,0.814347162,3.901206905,1.208477691,1.056582303,0.632669161,0.19598206,0.474331299,0.514462862,0.371606519,6.166266899,10.11332383,21.26087073,0.449003741,1.360400681,3.520232168,0.969316916,0.862842161,0.657693357,0.181099787,0.386217229,0.331162254,0.247821725,5.352391246,7.285992825,15.58259186,0.486540036,0.965201208,3.998355509,1.269463279,1.105985926,0.627310639,0.199168838,0.49824786,0.567624867,0.407170083,6.373804714,10.90189894,22.88942885,0.440965959,1.47304281,3.90490582,1.208819119,1.057054151,0.632805965,0.195894084,0.475230903,0.514738784,0.371938497,6.17077909,10.12580899,21.28622701,0.449208948,1.361908185 +UMLRON0291,L,"4,4-Dimethyl-2-Pentene",C/C=C/C(C)(C)C,5326158,Sandia values from independent api report ,Sandia,,C7H14,PubChem,,105.3,0,1.4802,2.19099204,30.3189,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,924.178589,686.110827,453.118514,154.429632,18.289152,0,0,2914.106344,3494.423905,4233.124071,3907.204221,2814.464344,1656.593096,559.5073998,0,0,125.864664,123.114164,212.050868,238.877292,228.143432,145.87776,120.932352,0,0,22.06875486,27.30703172,35.7627251,35.52832815,27.38797691,17.36404786,8.003032287,0,0,2979.777961,2471.442353,4748.191412,5476.928195,5604.494673,3501.729441,3328.517736,0,0,33.77777778,39.33333333,55,61,49,33,18,0,0,48.76541633,50.97680359,30.80595297,20.17973021,13.73086406,7.353792,1.016064,0,0,161.8947969,205.5543474,141.1041357,114.9177712,85.28679831,78.88538554,31.08374443,0,0,6.992481333,7.242009647,7.068362267,7.025802706,6.913437333,6.94656,6.718464,0,0,1.226041937,1.606295984,1.192090837,1.044950828,0.829938694,0.826859422,0.444612905,0,0,165.54322,145.3789619,158.2730471,161.0861234,169.8331719,166.749021,184.917652,0,0,1.87654321,2.31372549,1.833333333,1.794117647,1.484848485,1.571428571,1,0,0,0.038739543,-0.005318411,-0.006860597,-0.014913254,0.001730692,-0.005514603,0.011506402,0,0,484.264036,-53.80711511,-40.35533633,-228.6802392,40.35533633,-201.7766817,242.132018,0,0,900.5096538,-100.0566282,-75.04247115,-425.2406698,75.04247115,-375.2123557,450.2548269,0,0,0.094864,-0.010540444,-0.007905333,-0.044796889,0.007905333,-0.039526667,0.047432,0,0,4.025697139,-0.447299682,-0.335474762,-1.901023649,0.335474762,-1.677373808,2.01284857,0,0,21.86765075,-2.429738973,-1.822304229,-10.32639063,1.822304229,-9.111521147,10.93382538,0,0,3.530864198,-1.235939643,0.843621399,-1.990397805,0.748971193,-1.711934156,1.580246914,0,0,0.002152197,-3.13E-04,-2.29E-04,-4.39E-04,5.24E-05,-2.63E-04,6.39E-04,0,0,26.90355756,-3.165124418,-1.345177878,-6.725889389,1.22288898,-9.608413413,13.45177878,0,0,50.0283141,-5.885684011,-2.501415705,-12.50707852,2.274014277,-17.86725503,25.01415705,0,0,0.005270222,-6.20E-04,-2.64E-04,-0.001317556,2.40E-04,-0.001882222,0.002635111,0,0,0.223649841,-0.026311746,-0.011182492,-0.05591246,0.010165902,-0.079874943,0.111824921,0,0,1.214869486,-0.142925822,-0.060743474,-0.303717372,0.05522134,-0.433881959,0.607434743,0,0,0.196159122,-0.072702332,0.028120713,-0.058541112,0.022696097,-0.081520674,0.087791495,0,0,-0.145362031,-0.106257271,-0.203803444,0.024368221,-0.122014924,0.297019547,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.370629371,0.143356643,-0.298436857,0.115702479,-0.415584416,0.447552448,0,0,1.427202771,1.144646009,1.403409204,0.873431703,0.847932943,0.002912317,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.762237762,0.82027972,1.384615385,0.68086459,1.375624376,0,0,0,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,23.34439958,11.60275535,17.78940131,23.25180699,3.875301165,11.60277715,-0.138888889,0.120260574,0.020043429,-1.270856665,14.94631712,2.491052853,1.622678954,0,11.89,12.11007471,-0.154954146,0.067228264,5.295743165,7.50302765,5,17,16,16,4,1,1,0,0,1,13.118484,3.517606619,2.973446727,2.333552793,2.144218941,1.212755647,0.714238454,0.083923071,0.083923071,1.876614671,1.562795977,1.249629723,1.006105503,0.454457131,0.242677753,0.083923071,0.083923071,3.540212065,3.013827555,2.405454588,2.210649939,1.314575117,0.85296352,0.270913902,0.270913902,1.821017008,1.479346258,1.134540686,0.896768592,0.306288247,0.074238581,0.270913902,0.270913902,3.642387894,3.191621124,2.704236987,2.48977734,1.731762504,1.391492478,0.943918427,0.943918427,1.66333078,1.226940148,0.76031856,0.542581238,0.191473927,0.513929033,0.943918427,0.943918427,3.557013739,3.043627675,2.457539916,2.258979998,1.388112991,0.95125216,0.399277246,0.399277246,1.786115895,1.425528926,1.058262671,0.824386046,0.206853942,0.040284473,0.399277246,0.399277246,3.693794691,3.277571518,2.838982085,2.616800193,1.915254049,1.615628258,1.207644823,1.207644823,1.616067843,1.146660394,0.631337262,0.421299785,0.368828517,0.734374911,1.207644823,1.207644823,3.556782529,3.083747819,2.546278942,2.343749412,1.420038507,1.048111874,0.529411765,0.529411765,1.788931672,1.355414829,0.958043648,0.730094412,0.145135207,0.155381273,0.529411765,0.529411765,0,0,0,2,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.333333333,0,0,0,0.288675135,0.288675135,0,0.19245009,0.19245009,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.732050808,2.398717474,1.769800359,0.577350269,0.384900179,0,0,0,0.788675135,0.479743495,0.353960072,0.19245009,0.19245009,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,2,0,2,0,0,0,0,0,0,0,0,3,0,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.240740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.632638889,0,0,0.777083333,0.580555556,0,0.632638889,0,0,0,0,0,0,0,0,6.375,0,0,0,4.240740741,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.074074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.243402778,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.041666667,0,0,0,2.074074074,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.328472222,0,0,0.290277778,0.290277778,0,0.328472222,0,0,0,0,0,0,0,0,2.166666667,0,0,0,2.166666667,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.33333333,1.888888889,0.328472222,2.166666667,0.243402778,0.717592593,4.246384259,0.615740741,0.166666667,1.231481481,0.615740741,0.166666667,1.231481481,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.61349,0.76891,5.69868,1.0852,0.18087,2.19337,0.36556,2.77005,0.57668,0.09611,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.99107606,2.821888196,2.821888196,2.521052779,2.006349306,16.52932501,35.83936908,50.79398752,50.79398752,45.37895002,36.11428751,0.220218789,0.477484861,0.676723969,0.676723969,0.604579885,0.481147576,3.251629167,2.178848942,1.348036806,1.348036806,1.648872223,2.163575695,0.220218789,0.477484861,0.676723969,0.676723969,0.604579885,0.481147576,6.73287657,14.84279915,16.90146519,15.68011242,14.051801,8.440120483,23.69925001,16.64860504,15.1849632,16.39047709,13.9585639,10.54227292,6,3.2,5.333333333,6,2,5,2.12,0.911,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,2.48,5,3,2,0,0,0,0,0,0,21,1.945910149,2.079441542,1.945910149,1.609437912,0,0,0,0,0,0,3.401197382,1.380952381,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,109.6959078,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,84.09390038,4.671883355,10.67917749,1.779862916,0,0,0,32,3,3.278,20,1.207932081,2.101446871,2.955450015,3.629681744,4.251686237,4.549115303,0,0,0,0,72.28833972,74.95526042,65.1016191,52.92378505,31.2153722,4.622192292,0,0,0,0,273.323491,326.2038243,357.223804,321.1604956,335.0139307,141.4035375,0,0,0,0,8.782132118,14.92305792,20.81230465,25.13108952,29.53277086,30.5630674,0,0,0,0,2.076090313,2.687783255,3.201727136,3.091677599,3.512492338,2.02259537,0,0,0,0,173.4739133,327.5914642,472.5192606,613.5771856,709.1097009,841.2117207,0,0,0,0,2.886616339,4.05800834,5.439643333,5.511807832,6.676655011,4.549115303,0,0,0,0,0.430619445,0.566603473,0.684411441,0.670438034,0.769048374,0.465829407,0,0,0,0,289.1351709,107.0400957,9.194250263,72.55203892,-26.85933076,-4.777368621,216.583132,133.8994265,13.97161888,0.799406678,0.295946588,0.025420446,0.200593322,-0.074261213,-0.013208564,104.5764932,38.71503355,3.325442724,26.24114452,-9.7146764,-1.727913127,0.154365035,0.245231668,3.025575495,4.511640078,361.6872098,0,1,0,329.4851108,18.15172473,6.906827316,450.0022467,21.21325639,7.663107077,503.5226356,22.43931005,7.955601109,1.376420326,1.256583933,277.6847614,227.3994414,81.91444974,1.221132118,3.389936236,2.776060171,3.594909626,3.477341659,6.261707312,0.800716733,5.046785215,3.905192366,2.835147095,12.13764548,8.897299881,7.177807687,5.401501275,1.903443369,3.588733218,1.068381546,1.423037237,0.003419228,2.13E-24,2.55E-67,5.90E-132,2.63E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.42354672,3.89474594,0.163622477,4.760763986,1.091251426,0.565213127,0.184859085,0.785639089,0.161677509,0.034728806,0.010022578,2.41E-05,1.50E-26,1.80E-69,4.16E-134,1.85E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.367248261,3.895444091,0.577159444,5.320445308,2.089817304,1.844170665,0.73849885,1.002978877,0.613835228,0.148305775,0.104442908,2.51E-04,1.56E-25,1.87E-68,4.33E-133,1.93E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.763753867,3.904045475,2.624979524,11.35134014,8.208993334,6.747937744,4.901300755,1.831181641,3.291417389,0.970640364,1.267900565,0.003046471,1.89E-24,2.27E-67,5.26E-132,2.35E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.015069784,3.896349189,0.900167272,5.98556491,2.95191437,2.743161058,1.270337527,1.155390854,0.997678801,0.255196916,0.226863927,5.45E-04,3.39E-25,4.07E-68,9.41E-133,4.20E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.094722902,3.910014865,3.666235101,15.42900462,11.68471197,8.797866861,7.458850514,2.175345326,4.78892541,1.469401824,2.075366038,0.004986623,3.10E-24,3.72E-67,8.61E-132,3.84E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.757430781,3.323472222,1.273028969,7.150659325,3.74679331,3.694171263,1.952347827,1.431448017,1.503110546,0.398618982,0.398844383,9.58E-04,5.96E-25,7.15E-68,1.65E-132,7.38E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.407902073,1.312894787,0.527392859,0.64934811,0.250161457,0.536303088,0.481910227,0.377162042,5.24818972,6.963931421,14.57179117,0.474022164,1.395375357,2.52216201,0.802638999,0.188310325,0.717928289,0.22846956,0.299900595,0.188336552,0.047295967,3.513111334,2.650479949,6.544803992,0.576892434,0.535533115,2.87131544,1.007651737,0.323260974,0.683284043,0.239789869,0.384461242,0.292121782,0.140561832,4.20222815,4.147204696,9.284719293,0.524926064,0.817144855,3.385735617,1.300476765,0.519021685,0.650448294,0.249840209,0.529498918,0.473405768,0.365189631,5.205234068,6.83531635,14.32583949,0.475672441,1.368094316,3.028156929,1.097958656,0.383280294,0.671521643,0.243482428,0.426079775,0.344016526,0.198160841,4.509395879,4.906249906,10.6899727,0.507282464,0.968257142,3.477362392,1.351714732,0.553595274,0.646028986,0.251123351,0.557923226,0.50891359,0.415893325,5.382672398,7.373756247,15.35854896,0.469043479,1.482730141,3.389026423,1.301559672,0.51859865,0.650586721,0.249858612,0.530559789,0.474304982,0.364679782,5.209184745,6.843551735,14.34028556,0.475880082,1.369544553 +UMLRON0292,L,cis-4-methyl-2-pentene,C/C=C\C(C)C,5326159,Sandia values from independent api report ,Sandia,,C6H12,PubChem,,99.7,0,0.9844,0.96904336,33.7614,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1106.796102,989.794349,713.373195,360.330937,93.979872,9.144576,0,3399.790734,4147.41404,5063.01831,4962.225875,4229.928687,2943.145141,1341.178331,279.7536999,0,146.842108,144.889944,254.381208,281.231348,273.267948,269.228836,183.793536,60.466176,0,25.74688067,32.32302034,42.78148384,43.55351118,39.08925549,30.38709287,16.01813686,4.001516144,0,3476.407621,2904.481805,5704.188715,6438.392411,6337.926246,6644.943464,4802.005979,1664.258868,0,37.27777778,44.16666667,63.33333333,68.91666667,63.5,55,33,9,0,48.76541633,51.7541979,30.74433617,24.74485872,18.29162038,9.239254795,3.480736,1.016064,0,161.8947969,207.370702,140.6393975,124.0556469,108.4597099,75.46526003,49.67327153,31.08374443,0,6.992481333,7.2444972,7.066144667,7.0307837,7.006870462,6.903303487,6.807168,6.718464,0,1.226041937,1.616151017,1.188374551,1.088837779,1.002288602,0.779156227,0.593264328,0.444612905,0,165.54322,145.2240902,158.4496865,160.9598103,162.5109294,170.3831657,177.8520733,184.917652,0,1.775132275,2.208333333,1.759259259,1.722916667,1.628205128,1.41025641,1.222222222,1,0,0.037832712,-0.001280327,-0.006869637,-0.014181709,-0.008703832,0.001567766,0.005676351,0.004875032,0,564.9747087,-53.80711511,-40.35533633,-107.6142302,-242.132018,-80.71067267,121.066009,121.066009,0,1050.594596,-100.0566282,-75.04247115,-200.1132564,-450.2548269,-150.0849423,225.1274134,225.1274134,0,0.110674667,-0.010540444,-0.007905333,-0.021080889,-0.047432,-0.015810667,0.023716,0.023716,0,4.696646663,-0.447299682,-0.335474762,-0.894599364,-2.01284857,-0.670949523,1.006424285,1.006424285,0,25.51225921,-2.429738973,-1.822304229,-4.859477945,-10.93382538,-3.644608459,5.466912688,5.466912688,0,3.415343915,-1.043713782,0.325018896,-0.551713278,-1.231670446,-0.207860922,0.346938776,0.655328798,0,0.001801558,-6.40E-05,-1.91E-04,-3.55E-04,-2.23E-04,4.02E-05,2.10E-04,5.42E-04,0,26.90355756,-2.690355756,-1.120981565,-2.690355756,-6.208513282,-2.069504427,4.483926259,13.45177878,0,50.0283141,-5.00283141,-2.084513087,-5.00283141,-11.54499556,-3.848331854,8.33805235,25.01415705,0,0.005270222,-5.27E-04,-2.20E-04,-5.27E-04,-0.001216205,-4.05E-04,8.78E-04,0.002635111,0,0.223649841,-0.022364984,-0.009318743,-0.022364984,-0.051611502,-0.017203834,0.037274974,0.111824921,0,1.214869486,-0.121486949,-0.050619562,-0.121486949,-0.280354497,-0.093451499,0.202478248,0.607434743,0,0.162635425,-0.052185689,0.009028303,-0.013792832,-0.031581293,-0.005329767,0.012849584,0.072814311,0,-0.035533874,-0.105921261,-0.19679787,-0.123879009,0.022313544,0.11669636,0.300667681,0,-0.1,-0.041666667,-0.1,-0.230769231,-0.076923077,0.166666667,0.5,0,-0.1,-0.041666667,-0.1,-0.230769231,-0.076923077,0.166666667,0.5,0,-0.1,-0.041666667,-0.1,-0.230769231,-0.076923077,0.166666667,0.5,0,-0.1,-0.041666667,-0.1,-0.230769231,-0.076923077,0.166666667,0.5,0,-0.1,-0.041666667,-0.1,-0.230769231,-0.076923077,0.166666667,0.5,0,-0.32087529,0.055512523,-0.084808288,-0.194184592,-0.032771257,0.079008521,0.44771495,0,1.363401009,1.25782492,1.402376769,1.13447618,0.652542851,0.43190628,1.72E-08,0,1.5,1.130952381,1.125,1.208791209,0.879120879,0.476190476,0,0,1.5,1.130952381,1.125,1.208791209,0.879120879,0.476190476,0,0,1.5,1.130952381,1.125,1.208791209,0.879120879,0.476190476,0,0,1.5,1.130952381,1.125,1.208791209,0.879120879,0.476190476,0,0,1.5,1.130952381,1.125,1.208791209,0.879120879,0.476190476,0,0,1.756777692,0.899173767,1.140685515,1.169933862,0.863373652,0.650658404,0,0,26.41970209,13.20985104,19.55389302,26.41970209,3.774243155,13.20985633,3.55E-15,0.036628586,0.005232655,-2.314848407,35.58156489,5.083080699,2.500279365,26.41970209,13.20985104,19.55389302,26.41970209,3.774243155,13.20985633,3.55E-15,0.036628586,0.005232655,-2.314848407,35.58156489,5.083080699,2.500279365,26.41970209,13.20985104,19.55389302,26.41970209,3.774243155,13.20985633,3.55E-15,0.036628586,0.005232655,-2.314848407,35.58156489,5.083080699,2.500279365,26.41970209,13.20985104,19.55389302,26.41970209,3.774243155,13.20985633,3.55E-15,0.036628586,0.005232655,-2.314848407,35.58156489,5.083080699,2.500279365,26.41970209,13.20985104,19.55389302,26.41970209,3.774243155,13.20985633,3.55E-15,0.036628586,0.005232655,-2.314848407,35.58156489,5.083080699,2.500279365,26.41970209,13.20985104,19.55389302,26.41970209,3.774243155,13.20985633,3.55E-15,0.036628586,0.005232655,-2.314848407,35.58156489,5.083080699,2.500279365,29.4983944,14.69046704,21.87336212,29.41449418,4.202070596,14.69046817,-0.117460317,0.020525102,0.002932157,-2.720274665,53.50867276,7.644096109,2.785890624,0,11.89,12.11009426,-0.159023426,0.062679567,5.292959687,7.999879809,6,20,19,19,5,1,1,0,0,1,15.304898,3.568329904,3.027197218,2.685970779,2.168776798,1.722586372,1.348478919,0.342940675,0.083923071,1.895402541,1.626737273,1.417132893,1.044949552,0.825380504,0.551139479,0.083923071,0.083923071,3.58815656,3.069401029,2.739164515,2.236075844,1.811693724,1.449480404,0.47120642,0.270913902,1.843215194,1.543462822,1.319046348,0.933089213,0.691378414,0.409503095,0.270913902,0.270913902,3.679148761,3.252846476,2.967780198,2.51893915,2.178402382,1.857297035,0.958552982,0.943918427,1.698069569,1.288884067,1.012101149,0.572516421,0.246345972,0.068460756,0.943918427,0.943918427,3.602965283,3.100409255,2.778124745,2.285033165,1.876096667,1.52201322,0.561630504,0.399277246,1.810706712,1.489555529,1.254953153,0.859194446,0.601843176,0.314356349,0.399277246,0.399277246,3.725749138,3.340345022,3.075021933,2.647884913,2.341105848,2.034463776,1.207644823,1.207644823,1.655497843,1.206791306,0.910839343,0.449502709,0.089621639,0.240307085,1.153244063,1.207644823,3.605872251,3.128734253,2.868193174,2.400524696,1.930696803,1.58783794,0.650923823,0.552631579,1.796708175,1.443594129,1.146958955,0.740815735,0.516954792,0.211961682,0.552631579,0.552631579,0,0,0,1,1,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.204124145,0,0,0,0.49279928,0.40824829,0.204124145,0.348461713,0.288675135,0.144337567,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.491563832,2.964690378,1.812278497,1.110263394,0.49279928,0.144337567,0,0,0.784509119,0.494115063,0.302046416,0.222052679,0.164266427,0.144337567,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,3,0,1,0,0,0,0,0,0,0,0,3,0,2,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.766203704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,1.067361111,0.870833333,0,0.288541667,0,0,0,0,0,0,0,0,6.518009259,0,2.382453704,0,2.263888889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.243402778,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.165833333,0,1.180231481,0,2.263888889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.290277778,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.182037037,0,1.202222222,0,2.263888889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.80952381,0.290277778,2.263888889,0.053819444,1.180231481,4.386185185,0.319768519,0.263888889,1.563796296,0.319768519,0.263888889,1.563796296,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.02186,0.86027,7.07892,1.05706,0.15101,2.75482,0.39355,3.30805,0.55324,0.07903,0.10595,0.01514,0.10595,0.01514,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.911092835,2.951143018,3.236857303,3.427333494,2.87783243,19.28421252,40.13294954,61.97400337,67.97400337,71.97400337,60.43448102,0.209068641,0.435098981,0.671887465,0.736936107,0.780301869,0.655196825,3.474021589,2.481224587,1.441174405,1.155460119,0.964983929,1.514484993,0.209068641,0.435098981,0.671887465,0.736936107,0.780301869,0.655196825,6.73287657,15.92600679,18.02106921,19.35589302,18.50098589,11.90697312,27.64912502,17.29583807,16.48502421,14.58757905,15.26259907,14.83973403,7,4.166666667,3.84,7,2,6,2.23,1.0519,0.766309432,4.112265279,1.650963624,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,3.184,6,5,3,1,0,0,0,0,0,28,2.079441542,2.302585093,2.302585093,1.945910149,1.098612289,0,0,0,0,0,3.713572067,1.428571429,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,0,126.9918924,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,98.10955045,4.671883355,12.66537523,1.809339318,0,0,0,50,5,3.3,24,1.212087155,2.098402288,2.95983428,3.721229941,4.386041304,5.716068101,7.151143818,0,0,0,73.60305,75.0571472,82.55127174,80.26228957,51.12761016,22.4092876,7.266019792,0,0,0,276.7544669,325.54485,394.0258577,436.5147791,376.8941285,302.8910726,222.2843268,0,0,0,8.815752322,14.89783941,20.87179367,26.14102672,30.44516306,39.00068508,48.0447023,0,0,0,2.096746037,2.680352157,3.387365045,3.92476946,3.745135371,3.542715391,3.179490826,0,0,0,173.8582554,327.4224029,471.9525075,600.0472023,734.3707243,1009.409971,1322.372724,0,0,0,2.77005594,3.874464801,5.257214819,6.216427967,6.570052529,7.212899825,7.151143818,0,0,0,0.434702162,0.564997965,0.719593432,0.839817791,0.814789761,0.791289419,0.732277127,0,0,0,355.191607,142.6059797,9.839110817,122.1151136,-49.02803184,-6.965652294,233.0764934,191.6340116,16.80476311,0.744157984,0.298772202,0.020613812,0.255842016,-0.102718084,-0.014593661,169.5353411,68.06679253,4.696273718,58.28636442,-23.4014091,-3.324752653,0.142332253,0.212437607,3.092004709,2.157923033,477.3067206,0,1,0,393.2871575,19.83146887,7.326613048,533.5156973,23.09795873,8.110526867,614.4362952,24.78782554,8.501435952,1.783221774,1.624699755,498.6033714,438.1775963,76.35039687,1.137902475,6.530462078,5.739034953,4.045451839,4.632443913,8.080482529,0.744323877,5.727809132,4.999408144,2.230907506,14.08437741,7.658817076,4.61549469,5.575427055,4.94618493,7.558535626,3.407955894,2.180200981,3.91197035,0.718572883,0.146884619,0.523224974,2.27E-08,1.90E-37,3.08E-88,9.60E-161,5.77E-255,0,0,0,0,0,0,0,0,0,0,0.480699415,4.990499708,0.182401043,5.249836181,1.157198401,0.318319696,0.771009085,0.911372623,1.929333453,0.024265363,0.145075274,0.347958128,0.01471485,0.001039138,0.003685116,1.60E-10,1.34E-39,2.17E-90,6.76E-163,4.06E-257,0,0,0,0,0,0,0,0,0,0,1.551746373,4.991095116,0.591991186,6.002850564,1.797766482,1.072665736,1.62689641,1.219968052,2.664403889,0.250799988,0.493223246,1.051567537,0.077541876,0.010792362,0.038401753,1.67E-09,1.40E-38,2.26E-89,7.04E-162,4.24E-256,0,0,0,0,0,0,0,0,0,0,5.406584835,4.998430121,2.102473393,13.17197042,7.017913674,4.308982501,5.237155052,4.516988164,7.067471122,3.036608332,2.031816066,3.685335604,0.646882773,0.13087473,0.466184032,2.03E-08,1.70E-37,2.74E-88,8.55E-161,5.14E-255,0,0,0,0,0,0,0,0,0,0,2.286986532,4.991866978,0.875701748,6.831628279,2.441347562,1.626962206,2.251490983,1.584722048,3.291922883,0.544124279,0.752188158,1.54166424,0.144675334,0.023431091,0.083413739,3.62E-09,3.04E-38,4.91E-89,1.53E-161,9.20E-256,0,0,0,0,0,0,0,0,0,0,6.917158119,5.003520568,2.709877032,17.88449134,10.30756473,5.799696732,6.878023869,6.742168671,9.543008044,4.969326053,2.756622077,4.760689413,1.01648273,0.214202353,0.763074452,3.32E-08,2.78E-37,4.49E-88,1.40E-160,8.42E-255,0,0,0,0,0,0,0,0,0,0,3.26142121,4.53900986,1.199305703,8.172040021,3.395051114,2.310160439,3.064417762,2.37388208,4.104407476,1.041751562,0.923446366,2.358030572,0.257802888,0.044877148,0.159793777,6.94E-09,5.82E-38,9.40E-89,2.93E-161,1.76E-255,0,0,0,0,0,0,0,0,0,0,5.705579296,1.30671845,0.376213774,0.772223104,0.176858146,0.55217653,0.529269616,0.476159496,7.388511519,10.09370873,20.28711429,0.658334655,1.557605642,4.384970001,0.699529421,0.081105758,0.848878272,0.135420613,0.326263562,0.151223593,0.022130256,5.16560518,3.479797704,8.894187944,0.773317409,0.49961741,4.909281151,0.940877191,0.198313083,0.811656501,0.155556194,0.408854531,0.274009442,0.132307906,6.048471425,5.779193596,12.74367923,0.717484751,0.815171879,5.672867192,1.291703698,0.368907731,0.773557473,0.176137924,0.545863681,0.51715565,0.457845109,7.333478621,9.896947575,19.93365792,0.66033621,1.52086444,5.143075774,1.048368263,0.250557212,0.798366156,0.162739531,0.44869632,0.340371474,0.211201443,6.442001249,6.943148369,14.73611337,0.697549234,1.000269237,5.80799692,1.353720865,0.399087044,0.768171782,0.179044546,0.572176949,0.568096727,0.535819264,7.560804829,10.72055539,21.41914484,0.652257673,1.676092941,5.679511616,1.292266282,0.368929452,0.773700864,0.176041112,0.547141638,0.517666453,0.457899027,7.34070735,9.91153556,19.95997899,0.660551295,1.522707118 +UMLRON0293,L,trans-3-methyl-3-hexene,CC/C=C(\C)/CC,5352447, (trans) reported; [9] has RON of 96.2,"Sandia, UML",[1],C7H14,UML,,96.4,0,0.804,0.646416,33.3967,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1117.887126,871.776532,635.736027,469.204178,160.526016,18.289152,0,3399.790734,4147.41404,5146.671182,4830.349694,3644.358584,2795.267621,1843.095563,559.5073998,0,146.842108,144.889944,254.780376,301.363024,270.473772,188.630984,186.188544,120.932352,0,25.74688067,32.32302034,43.45041525,43.88092561,34.40673565,26.05816229,20.03172529,8.003032287,0,3476.407621,2904.481805,5672.393611,6987.678454,6560.491976,4431.398552,4611.235353,3328.517736,0,38.02777778,44.33333333,65,74.83333333,57.83333333,42,39,18,0,48.76541633,51.7541979,31.05242017,20.27387284,16.30092377,17.37793252,5.945408,1.016064,0,161.8947969,207.370702,142.9630884,112.3337138,93.44509189,103.5284304,68.26279863,31.08374443,0,6.992481333,7.2444972,7.077232667,7.008442419,6.935224923,6.986332741,6.895872,6.718464,0,1.226041937,1.616151017,1.206955979,1.020486642,0.882223991,0.965117122,0.741915752,0.444612905,0,165.54322,145.2240902,157.5664892,162.5041501,168.217743,164.1258723,170.7864946,184.917652,0,1.810846561,2.216666667,1.805555556,1.740310078,1.482905983,1.555555556,1.444444444,1,0,0.042529671,-0.006851201,-0.005671563,-0.01434514,-0.003010856,0.004794514,-0.006035058,0.009854468,0,564.9747087,-53.80711511,-80.71067267,-188.3249029,40.35533633,-121.066009,-121.066009,242.132018,0,1050.594596,-100.0566282,-150.0849423,-350.1981987,75.04247115,-225.1274134,-225.1274134,450.2548269,0,0.110674667,-0.010540444,-0.015810667,-0.036891556,0.007905333,-0.023716,-0.023716,0.047432,0,4.696646663,-0.447299682,-0.670949523,-1.565548888,0.335474762,-1.006424285,-1.006424285,2.01284857,0,25.51225921,-2.429738973,-3.644608459,-8.504086404,1.822304229,-5.466912688,-5.466912688,10.93382538,0,3.740740741,-1.382716049,0.898148148,-1.478395062,-0.518518519,0.472222222,-1.25,1.388888889,0,0.002025222,-3.43E-04,-1.58E-04,-3.34E-04,-7.72E-05,1.78E-04,-2.24E-04,5.47E-04,0,26.90355756,-2.690355756,-2.24196313,-4.379648904,1.034752214,-4.483926259,-4.483926259,13.45177878,0,50.0283141,-5.00283141,-4.169026175,-8.144144155,1.924165927,-8.33805235,-8.33805235,25.01415705,0,0.005270222,-5.27E-04,-4.39E-04,-8.58E-04,2.03E-04,-8.78E-04,-8.78E-04,0.002635111,0,0.223649841,-0.022364984,-0.018637487,-0.036408114,0.008601917,-0.037274974,-0.037274974,0.111824921,0,1.214869486,-0.121486949,-0.101239124,-0.197769451,0.046725749,-0.202478248,-0.202478248,0.607434743,0,0.178130511,-0.069135802,0.02494856,-0.034381281,-0.013295347,0.017489712,-0.046296296,0.077160494,0,-0.169146881,-0.07779067,-0.16472655,-0.03811998,0.08768153,-0.110368448,0.270326078,0,-0.1,-0.083333333,-0.162790698,0.038461538,-0.166666667,-0.166666667,0.5,0,-0.1,-0.083333333,-0.162790698,0.038461538,-0.166666667,-0.166666667,0.5,0,-0.1,-0.083333333,-0.162790698,0.038461538,-0.166666667,-0.166666667,0.5,0,-0.1,-0.083333333,-0.162790698,0.038461538,-0.166666667,-0.166666667,0.5,0,-0.1,-0.083333333,-0.162790698,0.038461538,-0.166666667,-0.166666667,0.5,0,-0.388118812,0.140057756,-0.193011743,-0.074638233,0.098184818,-0.25990099,0.433168317,0,1.475007325,1.106286643,1.386686453,1.069026338,0.713596817,0.743947962,1.56E-05,0,1.5,1.19047619,1.146179402,0.824175824,1.111111111,0.952380952,0,0,1.5,1.19047619,1.146179402,0.824175824,1.111111111,0.952380952,0,0,1.5,1.19047619,1.146179402,0.824175824,1.111111111,0.952380952,0,0,1.5,1.19047619,1.146179402,0.824175824,1.111111111,0.952380952,0,0,1.5,1.19047619,1.146179402,0.824175824,1.111111111,0.952380952,0,0,1.797029703,0.85189769,1.329725996,0.919649657,0.676567657,1.188118812,0,0,27.47211959,13.7360598,21.20907931,27.47211959,3.924588513,13.73606296,2.13E-14,0.057307808,0.00818683,-2.001522876,49.16486822,7.023552603,2.726625515,27.47211959,13.7360598,21.20907931,27.47211959,3.924588513,13.73606296,2.13E-14,0.057307808,0.00818683,-2.001522876,49.16486822,7.023552603,2.726625515,27.47211959,13.7360598,21.20907931,27.47211959,3.924588513,13.73606296,2.13E-14,0.057307808,0.00818683,-2.001522876,49.16486822,7.023552603,2.726625515,27.47211959,13.7360598,21.20907931,27.47211959,3.924588513,13.73606296,2.13E-14,0.057307808,0.00818683,-2.001522876,49.16486822,7.023552603,2.726625515,27.47211959,13.7360598,21.20907931,27.47211959,3.924588513,13.73606296,2.13E-14,0.057307808,0.00818683,-2.001522876,49.16486822,7.023552603,2.726625515,27.47211959,13.7360598,21.20907931,27.47211959,3.924588513,13.73606296,2.13E-14,0.057307808,0.00818683,-2.001522876,49.16486822,7.023552603,2.726625515,32.02595457,15.92269951,24.42083984,31.89698632,4.556712331,15.92269983,-0.180555556,4.09E-04,5.84E-05,-5.461769466,31.93627135,4.562324479,2.424619678,0,11.89,12.11009426,-0.154950483,0.067251423,5.211369367,7.659943879,6,20,19,19,5,1,1,0,0,1,15.304898,3.543531206,3.112599877,2.533860441,2.333552793,1.679926776,1.162837791,0.704774646,0.083923071,1.892939815,1.667247237,1.249629723,1.225356019,0.768053038,0.440344289,0.240051915,0.083923071,3.565508615,3.150713835,2.583635352,2.405454588,1.766799617,1.269690916,0.844681316,0.270913902,1.838701138,1.58857667,1.134540686,1.131940815,0.635055144,0.290000277,0.071272196,0.270913902,3.664830268,3.318028628,2.798783177,2.704236987,2.127057374,1.702702127,1.386395371,0.943918427,1.685193044,1.351217995,0.840678152,0.76031856,0.194156529,0.218324093,0.518635242,0.943918427,3.581841408,3.178805544,2.620168058,2.457539916,1.829778383,1.346550641,0.943701826,0.399277246,1.804687516,1.537907807,1.070984147,1.058262671,0.546224338,0.188893887,0.043515308,0.399277246,3.714820677,3.398793114,2.900235555,2.838982085,2.287862565,1.891182114,1.611398374,1.207644823,1.639243539,1.275766962,0.745036637,0.631337262,0.039515059,0.40108138,0.740057356,1.207644823,3.590533676,3.189082159,2.72162263,2.571572866,1.88216213,1.394030801,1.060068277,0.545454545,1.793199502,1.508869786,0.954744492,0.935209229,0.466995607,0.108411986,0.176539884,0.545454545,0,0,0,2,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.333333333,0,0,0,0.288675135,0.204124145,0.204124145,0.19245009,0.136082763,0.136082763,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,5.439157589,2.936722277,2.080417576,0.756685203,0.40824829,0.272165527,0,0,0.777022513,0.489453713,0.346736263,0.189171301,0.136082763,0.136082763,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,3,0,1,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.421296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.589236111,0,0,1.310763889,0.580555556,0,0.589236111,0,0,0,0,0,0,0,0,6.525,0,1.164861111,0,4.421296296,0,0.722175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.199074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.243402778,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.151666667,0,1.164861111,0,2.199074074,0,0.722175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.222222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.290277778,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.186666667,0,1.164861111,0,2.222222222,0,0.722175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.83333333,1.833333333,0.300694444,2.222222222,0.243402778,0.722175926,4.925150787,0.611157407,0.222222222,1.892592593,0.611157407,0.222222222,1.892592593,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.85911,0.83702,7.02591,1.1668,0.16669,2.75403,0.39343,3.27005,0.51602,0.07372,0.14395,0.02056,0.14395,0.02056,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.926868018,2.748063851,3.141619208,2.974487065,2.424986001,19.28421252,40.46422837,57.70934087,65.97400337,62.46422837,50.92470602,0.209068641,0.438690521,0.62565238,0.715253226,0.67720221,0.552097166,3.474021589,2.465449405,1.644253572,1.250698215,1.417830358,1.967331422,0.209068641,0.438690521,0.62565238,0.715253226,0.67720221,0.552097166,6.73287657,14.49989563,17.81640094,17.16616207,16.60258614,12.89259294,27.64912502,19.78804626,16.36808494,17.09381635,18.16164688,13.63034952,7,4.166666667,6,7,2,6,2.23,1.0519,0.814325285,3.639717277,1.889881575,0,2.381101578,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,2.979,6,4,3,2,0,0,0,0,0,28,2.079441542,2.197224577,2.197224577,1.945910149,1.609437912,0,0,0,0,0,3.713572067,1.428571429,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,0,126.9918924,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,98.10955045,4.671883355,12.67036528,1.810052182,0,0,0,52,4,3.742,24,1.45545484,2.20849225,2.813658597,3.450035241,4.71706468,5.624281846,6.561416824,0,0,0,90.41504444,70.03608646,64.08152936,70.07130752,95.33144344,36.35118053,6.666819424,0,0,0,337.0739552,323.1446399,333.8465761,367.1502782,530.3335809,405.8966695,203.9534037,0,0,0,10.59232167,15.65991711,19.75028873,24.0494014,33.06557406,38.8891502,44.08264272,0,0,0,2.543520043,2.720693034,2.972728594,3.332908732,4.820428277,4.348406329,2.917290594,0,0,0,208.3610603,345.6406991,455.1454203,571.2260617,766.0118164,952.2019081,1213.321793,0,0,0,3.328054806,4.01689436,5.009482763,5.426461676,7.658561044,8.386565132,6.561416824,0,0,0,0.526946141,0.575558455,0.635357081,0.715549142,1.033565047,0.956016641,0.671889083,0,0,0,341.918378,143.5080125,9.799545894,133.6253201,-56.08444977,-7.700326555,208.293058,199.5924623,17.49987245,0.719005171,0.30177671,0.020607036,0.280994829,-0.117937531,-0.016192679,162.5971299,68.24433096,4.660112294,63.54467886,-26.67060665,-3.661841766,0.136177449,0.209535732,2.178054923,2.319544904,475.5436981,0,1,0,310.6370008,17.62489718,6.772531933,433.5230127,20.82121545,7.568399564,593.5927209,24.36375835,8.40419632,2.101672742,1.945385262,518.2717882,468.2959302,67.62760059,1.10671854,7.663613431,6.924627314,4.034576093,4.716891353,8.348357235,0.76988542,5.361628677,3.215888738,4.61815115,15.44431901,9.82414726,8.708505123,4.429487331,4.02641345,6.652384077,4.114768984,2.101574834,2.359246948,1.568339303,2.555930439,5.72E-06,0.100303689,3.62E-19,2.51E-58,3.37E-119,8.72E-202,4.35E-306,0,0,0,0,0,0,0,0,0,0.449603798,3.156906108,0.270881826,3.642582368,1.084928862,0.372916958,1.151210787,0.81801007,0.51696453,0.099942705,0.064876053,0.99464487,0.011062347,0.081694191,4.03E-08,7.06E-04,2.55E-21,1.77E-60,2.37E-121,6.14E-204,3.06E-308,0,0,0,0,0,0,0,0,0,1.451604831,3.160899653,0.951324927,5.101990967,2.30075618,1.439645876,1.573475857,1.331130325,1.46574419,0.474450809,0.282894749,1.233462932,0.115149379,0.351229348,4.19E-07,0.007361723,2.65E-20,1.85E-59,2.47E-120,6.40E-203,3.19E-307,0,0,0,0,0,0,0,0,0,5.060688805,3.209431432,4.278810431,14.3858961,9.088187147,7.973655577,4.141448173,3.779839068,6.169377907,3.711556687,1.906944596,2.261653133,1.397373379,2.321144112,5.09E-06,0.089368781,3.22E-19,2.24E-58,3.00E-119,7.77E-202,3.88E-306,0,0,0,0,0,0,0,0,0,2.139639522,3.166030141,1.479868767,6.38577842,3.304044413,2.360389974,1.936657626,1.725469684,2.207193919,0.863669642,0.49126341,1.40919961,0.250079469,0.606184343,9.11E-07,0.015990647,5.76E-20,4.01E-59,5.37E-120,1.39E-202,6.93E-307,0,0,0,0,0,0,0,0,0,6.47613384,3.243029146,5.957694745,19.74460483,12.77724155,11.68428282,5.595140847,4.996318301,8.56268336,5.786429743,2.901620295,2.736550015,2.287221971,3.519836861,8.34E-06,0.146283504,5.27E-19,3.67E-58,4.92E-119,1.27E-201,6.34E-306,0,0,0,0,0,0,0,0,0,2.791623504,2.900476219,2.271611902,7.793039514,4.330680757,3.522667785,2.660205248,2.20769868,3.004547002,1.477722991,0.81211567,1.849168452,0.466676832,1.00692828,1.70E-06,0.02984242,1.08E-19,7.48E-59,1.00E-119,2.59E-202,1.29E-306,0,0,0,0,0,0,0,0,0,6.138993008,1.127677411,0.37555467,0.803299162,0.14755878,0.563160186,0.511131353,0.478867985,7.64222509,9.651835756,19.89395212,0.704948743,1.553159524,4.683729256,0.607838062,0.091259636,0.870124434,0.112921717,0.328088819,0.154601498,0.027207546,5.382826954,3.329855422,8.972493897,0.805186651,0.509897863,5.260817222,0.8132512,0.206118134,0.837684864,0.129494752,0.413624862,0.271368211,0.144031907,6.280186556,5.53034157,12.69237693,0.756527296,0.829024981,6.102885048,1.114722045,0.368681665,0.80446253,0.146939048,0.556550238,0.499800286,0.461767506,7.586288758,9.4640199,19.55845758,0.706693795,1.51811803,5.518464994,0.905329781,0.256381891,0.826095666,0.135524826,0.455071481,0.33395911,0.223928322,6.680176666,6.642975354,14.60404382,0.7391435,1.012958912,6.252057959,1.168255396,0.397033455,0.79976725,0.149443977,0.584114129,0.547427614,0.534132966,7.817346811,10.2501131,20.96739244,0.699650875,1.665674709,6.110734933,1.113145063,0.368597704,0.804840682,0.146611568,0.557981853,0.498426556,0.461500948,7.5924777,9.464840002,19.56456883,0.707261024,1.517909357 +UMLRON0294,L,trans-2-methyl-3-hexene,CC/C=C/C(C)C,5352548,(trans) reported,"Sandia, UML",[1],C7H14,PubChem,,97.9,0,1.1794,1.39098436,34.0088,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1106.796102,1000.885373,716.421387,349.239913,90.93168,9.144576,0,3399.790734,4147.41404,5063.01831,5045.878747,4323.179921,2859.492269,1247.927098,279.7536999,0,146.842108,144.889944,254.381208,281.630516,293.42334,268.829668,163.638144,60.466176,0,25.74688067,32.32302034,42.78148384,44.22244258,40.4230942,29.71816146,14.68429815,4.001516144,0,3476.407621,2904.481805,5704.188715,6406.597306,6892.679202,6676.738568,4247.253023,1664.258868,0,37.27777778,44.41666667,62.33333333,68.16666667,67.5,55.5,30,9,0,48.76541633,51.7541979,30.74433617,25.02213432,17.05765207,8.954869564,3.78882,1.016064,0,161.8947969,207.370702,140.6393975,126.1469687,102.9328553,73.3203146,51.99696242,31.08374443,0,6.992481333,7.2444972,7.066144667,7.0407629,6.98627,6.89306841,6.818256,6.718464,0,1.226041937,1.616151017,1.188374551,1.105561065,0.962454624,0.76200414,0.611845756,0.444612905,0,165.54322,145.2240902,158.4496865,160.1649327,164.1114096,171.1984248,176.9688759,184.917652,0,1.775132275,2.220833333,1.731481481,1.704166667,1.607142857,1.423076923,1.25,1,0,0.03836888,1.22E-04,-0.011761872,-0.011985662,-0.003910726,-0.002690721,0.005419442,0.005622668,0,564.9747087,-53.80711511,-40.35533633,-147.9695666,-201.7766817,-40.35533633,80.71067267,121.066009,0,1050.594596,-100.0566282,-75.04247115,-275.1557275,-375.2123557,-75.04247115,150.0849423,225.1274134,0,0.110674667,-0.010540444,-0.007905333,-0.028986222,-0.039526667,-0.007905333,0.015810667,0.023716,0,4.696646663,-0.447299682,-0.335474762,-1.230074126,-1.677373808,-0.335474762,0.670949523,1.006424285,0,25.51225921,-2.429738973,-1.822304229,-6.681782175,-9.111521147,-1.822304229,3.644608459,5.466912688,0,3.415343915,-0.793713782,-0.040060469,-0.666792643,-0.648148148,-0.342781557,0.128495843,0.655328798,0,0.00182709,6.12E-06,-3.27E-04,-3.00E-04,-9.31E-05,-6.90E-05,2.26E-04,6.25E-04,0,26.90355756,-2.690355756,-1.120981565,-3.699239164,-4.804206706,-1.034752214,3.362944694,13.45177878,0,50.0283141,-5.00283141,-2.084513087,-6.878893188,-8.933627517,-1.924165927,6.253539262,25.01415705,0,0.005270222,-5.27E-04,-2.20E-04,-7.25E-04,-9.41E-04,-2.03E-04,6.59E-04,0.002635111,0,0.223649841,-0.022364984,-0.009318743,-0.030751853,-0.039937472,-0.008601917,0.02795623,0.111824921,0,1.214869486,-0.121486949,-0.050619562,-0.167044554,-0.21694098,-0.046725749,0.151858686,0.607434743,0,0.162635425,-0.039685689,-0.001112791,-0.016669816,-0.015432099,-0.008789271,0.005353993,0.072814311,0,0.003350402,-0.178819189,-0.163999381,-0.050962208,-0.037761059,0.123590058,0.341932296,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.244016266,-0.006842241,-0.102498064,-0.094887684,-0.054042781,0.032920217,0.44771495,0,1.32516709,1.350881334,1.265889889,0.971854765,0.82050289,0.473775272,0.004579473,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.683578621,0.919506842,1.085786212,1.068938807,0.957218614,0.731990705,0,0,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,31.42320092,15.6528703,24.86067594,31.3393007,4.477042957,15.65287074,-0.117460317,0.240277402,0.034325343,-0.998172827,24.32773304,3.475390435,2.234131884,0,11.89,12.11009426,-0.179294889,0.044702308,5.250774834,7.999880075,6,20,19,19,5,1,1,0,0,1,15.304898,3.561683453,3.072403693,2.598482448,2.231636571,1.723411963,1.331305785,0.343941434,0.083923071,1.896572142,1.632714106,1.376164746,1.134595428,0.729442284,0.589838218,0.083923071,0.083923071,3.582066101,3.111356374,2.655875999,2.301455032,1.802351717,1.439212277,0.471719429,0.270913902,1.843376942,1.553828189,1.273394177,1.020093548,0.602620753,0.445239909,0.270913902,0.270913902,3.675510626,3.28136032,2.901316268,2.594049455,2.13053669,1.871292848,0.958553221,0.943918427,1.694914841,1.314920003,0.948617343,0.64932689,0.192059624,0.050729835,0.943918427,0.943918427,3.597286032,3.140007744,2.697855533,2.35219223,1.859577374,1.516496681,0.561919687,0.399277246,1.810190084,1.502958636,1.205982083,0.944304394,0.518799341,0.347437272,0.399277246,0.399277246,3.723281997,3.362948585,3.01559518,2.727011039,2.278314611,2.056990427,1.207644823,1.207644823,1.651241268,1.238556136,0.840403099,0.52234351,0.050517284,0.231556412,1.153231984,1.207644823,3.603356098,3.171021977,2.807056218,2.410406457,1.952450765,1.576642281,0.650993015,0.552631579,1.808670209,1.437339154,1.084742326,0.861065488,0.41775703,0.24656313,0.552631579,0.552631579,0,0,0,1,1,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.204124145,0,0,0,0.49279928,0.40824829,0.204124145,0.348461713,0.288675135,0.144337567,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.491563832,2.926685576,1.885027805,1.137136847,0.538675135,0.144337567,0,0,0.784509119,0.487780929,0.314171301,0.227427369,0.179558378,0.144337567,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,3,0,1,0,0,0,0,0,0,0,0,3,0,2,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.672453704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.759305556,0.870833333,0,0.306319444,0,0,0,0,0,0,0,0,6.459814815,0,2.534398148,0,2.170138889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.225625,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.088287037,0,1.260416667,0,2.170138889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.170138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.290277778,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.201388889,0,1.273981481,0,2.170138889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.80952381,0.306319444,2.201388889,0.053819444,1.260416667,4.408032407,0.239583333,0.201388889,1.259907407,0.239583333,0.201388889,1.259907407,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.0332,0.86189,7.07892,1.04572,0.14939,2.69415,0.38488,3.30805,0.6139,0.0877,0.10595,0.01514,0.10595,0.01514,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.006330931,3.236857303,3.522571589,3.522571589,3.104255644,19.28421252,42.13294954,67.97400337,73.97400337,73.97400337,65.18936853,0.209068641,0.456781862,0.736936107,0.80198475,0.80198475,0.706746655,3.474021589,2.385986492,1.155460119,0.869745834,0.869745834,1.288061779,0.209068641,0.456781862,0.736936107,0.80198475,0.80198475,0.706746655,6.73287657,17.06886394,19.35589302,19.64384303,19.64384303,14.62405169,27.64912502,15.92879954,14.58757905,13.89556055,13.89556055,11.38566488,7,4.166666667,3.84,7,2,6,2.23,1.0519,0.766309432,4.112265279,1.650963624,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,3.184,6,5,3,1,0,0,0,0,0,28,2.079441542,2.302585093,2.197224577,1.791759469,1.098612289,0,0,0,0,0,3.663561646,1.357142857,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,0,126.9918924,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,98.10955045,4.671883355,12.66537523,1.809339318,0,0,0,50,5,3.405,24,1.211820196,2.097762324,2.969546675,3.730019133,4.525107853,5.543020375,6.814163195,0,0,0,73.57167662,75.27677688,84.66877825,73.82527213,47.55970847,23.26924074,6.923625912,0,0,0,276.6580858,325.9634741,403.801415,416.3557752,360.6714665,305.3243674,211.8097072,0,0,0,8.813762157,14.89376499,20.97244425,26.14561743,31.29278639,37.8753481,45.78071011,0,0,0,2.096092019,2.682163225,3.460028766,3.797811283,3.651248515,3.528247038,3.029664892,0,0,0,173.8229843,327.2992027,470.9975859,605.7089824,766.9123128,974.441076,1260.059058,0,0,0,2.786164609,3.804691093,5.223818442,6.206183983,6.71205336,7.133241195,6.814163195,0,0,0,0.434569419,0.565324178,0.734440195,0.814704829,0.797237809,0.786419671,0.697770311,0,0,0,361.8503435,146.4671991,9.788783436,119.2218377,-48.25776444,-7.2150437,242.6285059,194.7249636,17.00382714,0.752174741,0.304459923,0.020347848,0.247825259,-0.100312939,-0.01499784,174.076134,70.46129497,4.709111399,57.3543095,-23.215468,-3.47095681,0.140516967,0.217712569,1.6537343,1.513135438,481.0721812,0,1,0,393.6790374,19.84134666,7.329045705,533.9287334,23.10689796,8.112619325,613.4889444,24.76870898,8.497064474,1.628923451,1.628923451,481.8496908,391.5328528,106.2062084,1.230674993,4.536925836,3.686534514,4.170958531,4.529217033,7.101345155,0.567896858,5.73778773,4.941786462,2.439731415,16.44423721,7.258416217,6.085659722,4.263803936,9.006925383,9.362078388,0.051142248,3.098578032,1.879254448,1.276925855,1.25E-07,8.46E-36,1.10E-85,2.76E-157,1.34E-250,0,0,0,0,0,0,0,0,0,0,0,0,0.481536642,4.934875649,0.199729088,5.100227578,1.621708454,0.219301345,1.943307684,1.158296653,0.60420345,0.001415855,0.437911849,0.127751902,0.008993493,8.82E-10,5.96E-38,7.75E-88,1.95E-159,9.43E-253,0,0,0,0,0,0,0,0,0,0,0,0,1.554449548,4.935337573,0.6480581,6.070983895,2.279933834,0.89996022,2.31230469,2.27789377,1.581599007,0.006465104,0.739147201,0.432140805,0.093719133,9.20E-09,6.21E-37,8.08E-87,2.03E-158,9.83E-252,0,0,0,0,0,0,0,0,0,0,0,0,5.416003805,4.941027761,2.299450414,15.27402012,6.739165002,5.543702305,4.084717543,8.355754165,8.539279661,0.046293481,2.850130717,1.753233046,1.137717947,1.12E-07,7.54E-36,9.81E-86,2.46E-157,1.19E-250,0,0,0,0,0,0,0,0,0,0,0,0,2.290970623,4.935936364,0.958465461,7.136676006,2.877972892,1.520656828,2.596686995,3.189719006,2.493137369,0.011445838,1.017750059,0.656869674,0.203570481,2.00E-08,1.35E-36,1.76E-86,4.41E-158,2.13E-251,0,0,0,0,0,0,0,0,0,0,0,0,6.929208768,4.944976667,2.962705027,21.31719702,9.378733519,8.299866067,4.968921931,11.61171793,12.73399889,0.071143988,4.115617241,2.367196054,1.862276351,1.83E-07,1.23E-35,1.61E-85,4.03E-157,1.95E-250,0,0,0,0,0,0,0,0,0,0,0,0,3.269369457,4.587212853,1.300987227,8.616193189,4.048870418,2.40768314,2.936662097,4.306226522,3.926692625,0.019811287,1.560353718,1.028836779,0.389975278,3.83E-08,2.58E-36,3.36E-86,8.44E-158,4.09E-251,0,0,0,0,0,0,0,0,0,0,0,0,5.143600965,1.64951235,0.375380974,0.71752878,0.230105833,0.577114568,0.535863205,0.476162519,7.168494289,11.03443881,21.38782794,0.576293171,1.589140292,3.912763267,1.001459441,0.080926219,0.783312635,0.200486403,0.333662871,0.196985842,0.022130396,4.995148927,4.316163175,9.628419362,0.674968952,0.552779109,4.401561355,1.258895715,0.19787409,0.751333654,0.214889818,0.422393303,0.311678247,0.132308746,5.85833116,6.661164522,13.61593713,0.62700048,0.866380297,5.113124274,1.633473003,0.368091104,0.718671571,0.229591644,0.570284445,0.5254673,0.457848016,7.114688381,10.8355129,21.02455357,0.578007356,1.55359976,4.61946195,1.37362249,0.25000257,0.739932335,0.220022961,0.465323422,0.37125083,0.211202784,6.24308701,7.843683337,15.67313586,0.609898503,1.047777036,5.239016593,1.699726017,0.398203611,0.71405956,0.231666686,0.598761554,0.569068389,0.535822667,7.336946221,11.66792517,22.55083186,0.571089341,1.703652609,5.123014035,1.635709489,0.368112778,0.718834251,0.22951411,0.572471839,0.526860072,0.457901935,7.126836301,10.86773516,21.07926917,0.578251376,1.557233845 +UMLRON0295,L,trans-3-methyl-2-hexene,CCC/C(=C/C)/C,5352660,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C7H14,UML,,91.4,0,1.1794,1.39098436,34.0088,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1106.796102,1000.885373,716.421387,349.239913,90.93168,9.144576,0,3399.790734,4147.41404,5063.01831,5045.878747,4323.179921,2859.492269,1247.927098,279.7536999,0,146.842108,144.889944,254.381208,281.630516,293.42334,268.829668,163.638144,60.466176,0,25.74688067,32.32302034,42.78148384,44.22244258,40.4230942,29.71816146,14.68429815,4.001516144,0,3476.407621,2904.481805,5704.188715,6406.597306,6892.679202,6676.738568,4247.253023,1664.258868,0,37.27777778,44.41666667,62.33333333,68.16666667,67.5,55.5,30,9,0,48.76541633,51.7541979,30.74433617,25.02213432,17.05765207,8.954869564,3.78882,1.016064,0,161.8947969,207.370702,140.6393975,126.1469687,102.9328553,73.3203146,51.99696242,31.08374443,0,6.992481333,7.2444972,7.066144667,7.0407629,6.98627,6.89306841,6.818256,6.718464,0,1.226041937,1.616151017,1.188374551,1.105561065,0.962454624,0.76200414,0.611845756,0.444612905,0,165.54322,145.2240902,158.4496865,160.1649327,164.1114096,171.1984248,176.9688759,184.917652,0,1.775132275,2.220833333,1.731481481,1.704166667,1.607142857,1.423076923,1.25,1,0,0.03836888,1.22E-04,-0.011761872,-0.011985662,-0.003910726,-0.002690721,0.005419442,0.005622668,0,564.9747087,-53.80711511,-40.35533633,-147.9695666,-201.7766817,-40.35533633,80.71067267,121.066009,0,1050.594596,-100.0566282,-75.04247115,-275.1557275,-375.2123557,-75.04247115,150.0849423,225.1274134,0,0.110674667,-0.010540444,-0.007905333,-0.028986222,-0.039526667,-0.007905333,0.015810667,0.023716,0,4.696646663,-0.447299682,-0.335474762,-1.230074126,-1.677373808,-0.335474762,0.670949523,1.006424285,0,25.51225921,-2.429738973,-1.822304229,-6.681782175,-9.111521147,-1.822304229,3.644608459,5.466912688,0,3.415343915,-0.793713782,-0.040060469,-0.666792643,-0.648148148,-0.342781557,0.128495843,0.655328798,0,0.00182709,6.12E-06,-3.27E-04,-3.00E-04,-9.31E-05,-6.90E-05,2.26E-04,6.25E-04,0,26.90355756,-2.690355756,-1.120981565,-3.699239164,-4.804206706,-1.034752214,3.362944694,13.45177878,0,50.0283141,-5.00283141,-2.084513087,-6.878893188,-8.933627517,-1.924165927,6.253539262,25.01415705,0,0.005270222,-5.27E-04,-2.20E-04,-7.25E-04,-9.41E-04,-2.03E-04,6.59E-04,0.002635111,0,0.223649841,-0.022364984,-0.009318743,-0.030751853,-0.039937472,-0.008601917,0.02795623,0.111824921,0,1.214869486,-0.121486949,-0.050619562,-0.167044554,-0.21694098,-0.046725749,0.151858686,0.607434743,0,0.162635425,-0.039685689,-0.001112791,-0.016669816,-0.015432099,-0.008789271,0.005353993,0.072814311,0,0.003350402,-0.178819189,-0.163999381,-0.050962208,-0.037761059,0.123590058,0.341932296,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.244016266,-0.006842241,-0.102498064,-0.094887684,-0.054042781,0.032920217,0.44771495,0,1.32516709,1.350881334,1.265889889,0.971854765,0.82050289,0.473775272,0.004579473,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.683578621,0.919506842,1.085786212,1.068938807,0.957218614,0.731990705,0,0,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,31.42320092,15.6528703,24.86067594,31.3393007,4.477042957,15.65287074,-0.117460317,0.240277402,0.034325343,-0.998172827,24.32773304,3.475390435,2.234131884,0,11.89,12.11009426,-0.179294889,0.044702308,5.250774834,7.999880075,6,20,19,19,5,1,1,0,0,1,15.304898,3.561683453,3.072403693,2.598482448,2.231636571,1.723411963,1.331305785,0.343941434,0.083923071,1.896572142,1.632714106,1.376164746,1.134595428,0.729442284,0.589838218,0.083923071,0.083923071,3.582066101,3.111356374,2.655875999,2.301455032,1.802351717,1.439212277,0.471719429,0.270913902,1.843376942,1.553828189,1.273394177,1.020093548,0.602620753,0.445239909,0.270913902,0.270913902,3.675510626,3.28136032,2.901316268,2.594049455,2.13053669,1.871292848,0.958553221,0.943918427,1.694914841,1.314920003,0.948617343,0.64932689,0.192059624,0.050729835,0.943918427,0.943918427,3.597286032,3.140007744,2.697855533,2.35219223,1.859577374,1.516496681,0.561919687,0.399277246,1.810190084,1.502958636,1.205982083,0.944304394,0.518799341,0.347437272,0.399277246,0.399277246,3.723281997,3.362948585,3.01559518,2.727011039,2.278314611,2.056990427,1.207644823,1.207644823,1.651241268,1.238556136,0.840403099,0.52234351,0.050517284,0.231556412,1.153231984,1.207644823,3.603356098,3.171021977,2.807056218,2.410406457,1.952450765,1.576642281,0.650993015,0.552631579,1.808670209,1.437339154,1.084742326,0.861065488,0.41775703,0.24656313,0.552631579,0.552631579,0,0,0,1,1,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.204124145,0,0,0,0.49279928,0.40824829,0.204124145,0.348461713,0.288675135,0.144337567,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.491563832,2.926685576,1.885027805,1.137136847,0.538675135,0.144337567,0,0,0.784509119,0.487780929,0.314171301,0.227427369,0.179558378,0.144337567,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,3,0,1,0,0,0,0,0,0,0,0,3,0,2,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.672453704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.759305556,0.870833333,0,0.306319444,0,0,0,0,0,0,0,0,6.459814815,0,2.534398148,0,2.170138889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.225625,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.088287037,0,1.260416667,0,2.170138889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.170138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.290277778,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.201388889,0,1.273981481,0,2.170138889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.80952381,0.306319444,2.201388889,0.053819444,1.260416667,4.408032407,0.239583333,0.201388889,1.259907407,0.239583333,0.201388889,1.259907407,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.0332,0.86189,7.07892,1.04572,0.14939,2.69415,0.38488,3.30805,0.6139,0.0877,0.10595,0.01514,0.10595,0.01514,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.006330931,3.236857303,3.522571589,3.522571589,3.104255644,19.28421252,42.13294954,67.97400337,73.97400337,73.97400337,65.18936853,0.209068641,0.456781862,0.736936107,0.80198475,0.80198475,0.706746655,3.474021589,2.385986492,1.155460119,0.869745834,0.869745834,1.288061779,0.209068641,0.456781862,0.736936107,0.80198475,0.80198475,0.706746655,6.73287657,17.06886394,19.35589302,19.64384303,19.64384303,14.62405169,27.64912502,15.92879954,14.58757905,13.89556055,13.89556055,11.38566488,7,4.166666667,3.84,7,2,6,2.23,1.0519,0.766309432,4.112265279,1.650963624,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,3.184,6,5,3,1,0,0,0,0,0,28,2.079441542,2.302585093,2.197224577,1.791759469,1.098612289,0,0,0,0,0,3.663561646,1.357142857,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,0,126.9918924,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,98.10955045,4.671883355,12.66537523,1.809339318,0,0,0,50,5,3.405,24,1.212209546,2.097853128,2.979580481,3.792608791,4.623408893,4.872031576,4.910473164,0,0,0,73.68238616,75.87250174,86.2936463,70.84635889,40.27621175,17.82364266,4.989355005,0,0,0,276.9504136,327.4303253,409.2092068,416.5117115,335.3057256,248.5368367,152.6358929,0,0,0,8.816872584,14.89673673,21.05335759,26.58989154,31.85923478,33.19588287,32.99083717,0,0,0,2.097869285,2.690416498,3.497067535,3.835741229,3.499143579,2.942596505,2.183259738,0,0,0,173.8614863,327.1602585,471.8532919,615.1635133,792.2844936,864.0200757,908.0331678,0,0,0,2.78936816,3.812841001,5.276829018,6.338948548,6.601278498,6.032731144,4.910473164,0,0,0,0.434921522,0.566925499,0.741941169,0.823872302,0.767902081,0.658608294,0.502832452,0,0,0,320.3272589,129.6597814,9.009199581,60.16127024,-24.35164953,-3.792211895,260.1659887,154.0114309,12.80141148,0.841884142,0.340771854,0.023677979,0.158115858,-0.064001008,-0.009966692,121.8808476,49.3340595,3.427897098,22.89067323,-9.265523314,-1.442893126,0.140516967,0.217712569,2.623593514,1.766465806,380.4885292,0,1,0,392.3601426,19.80808276,7.320852013,532.7628836,23.08165687,8.106710304,617.5762253,24.85108097,8.515892874,2.418801571,2.418801571,434.4637185,295.2921612,155.2984212,1.471301225,2.797605508,1.90144986,4.167027193,4.057296081,6.627848795,0.633563009,5.803797453,4.961461958,4.887838146,11.76565593,10.4939367,5.976165515,8.112561512,11.62174169,12.23355694,3.24258991,5.675350651,0.390376037,1.93E-06,1.84E-33,3.39E-82,1.20E-152,8.24E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0.487076946,4.940412888,0.298517853,3.590044944,2.191229129,0.353487791,2.196893389,1.556772516,0.69799142,0.104115844,0.124256786,0.00274945,1.36E-08,1.30E-35,2.39E-84,8.48E-155,5.81E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,1.57233295,4.941819553,1.037244139,4.31524331,3.114162025,1.14236965,3.074178861,2.873288549,2.326911609,0.44679498,0.633082649,0.028651392,1.42E-07,1.35E-34,2.49E-83,8.84E-154,6.05E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,5.478311633,4.959150999,4.53681907,10.93133004,9.712604165,5.505008272,7.633584641,10.74450613,11.27061701,2.94504982,5.114670355,0.347818021,1.72E-06,1.64E-33,3.02E-82,1.07E-152,7.35E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,2.317327174,4.943643255,1.603162262,5.09324901,3.976897857,1.790455341,3.774459515,3.996150763,3.660599897,0.770501085,1.167734558,0.062234653,3.08E-07,2.94E-34,5.41E-83,1.92E-153,1.31E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,7.00892494,4.971179203,6.267056396,15.23381763,13.69688346,7.864780624,10.01864205,15.16617024,16.09040011,4.463926354,8.002051823,0.569326762,2.82E-06,2.69E-33,4.95E-82,1.76E-152,1.20E-244,0,0,0,0,0,0,0,0,0,0,0,0,0,3.30461888,4.582334206,2.275246154,6.185153086,5.012111124,2.559375183,4.685911781,5.860663712,5.900279008,1.313143098,2.06807851,0.119221491,5.90E-07,5.63E-34,1.04E-82,3.68E-153,2.52E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,3.852563123,2.291001499,0.380991677,0.590471282,0.351135218,0.513788093,0.482734334,0.476036766,6.524556299,11.16687487,21.05415053,0.41240975,1.472559193,2.943105473,1.500990755,0.082135798,0.65023301,0.331620374,0.303153228,0.208588925,0.022124552,4.526232026,4.782593494,9.671666492,0.475349515,0.533866704,3.303202101,1.81586781,0.200831652,0.620914139,0.341334852,0.379877746,0.304659427,0.132273804,5.319901563,7.026249634,13.55077527,0.443373486,0.816810976,3.829940569,2.271550004,0.373592847,0.591488993,0.350814014,0.507867512,0.474674024,0.457727099,6.47508342,10.97937475,20.70467914,0.41345451,1.440268634,3.464199325,1.955734139,0.25373928,0.610574399,0.344703374,0.416999548,0.352980373,0.211147005,5.673672744,8.150302898,15.54307268,0.43291666,0.981126927,3.923420423,2.351866814,0.404155436,0.587387394,0.352105247,0.532559664,0.508376031,0.535681157,6.679442673,11.76355374,22.17228505,0.409238961,1.576616852,3.837454753,2.275562423,0.373614845,0.591594334,0.350808003,0.509888894,0.476380258,0.457781004,6.48663202,11.0162818,20.76545607,0.413603506,1.444050156 +UMLRON0296,L,cis-3-methyl-2-hexene,CCC/C(=C\C)/C,5357248,Sandia values from independent api report ,Sandia,,C7H14,PubChem,,92.4,0,0.804,0.646416,33.3967,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1117.887126,1003.933565,705.330363,346.191721,90.93168,9.144576,0,3399.790734,4147.41404,5146.671182,5139.12998,4239.527049,2766.241036,1247.927098,279.7536999,0,146.842108,144.889944,254.780376,301.785908,293.024172,248.674276,163.638144,60.466176,0,25.74688067,32.32302034,43.45041525,45.5562813,39.7541628,28.38432275,14.68429815,4.001516144,0,3476.407621,2904.481805,5672.393611,6961.350263,6924.474307,6121.985612,4247.253023,1664.258868,0,38.02777778,44.66666667,63.33333333,73,68.5,52.5,30,9,0,48.76541633,51.7541979,31.05242017,23.34729221,16.79358007,9.616436694,3.78882,1.016064,0,161.8947969,207.370702,142.9630884,119.5146507,100.9411202,76.84002878,51.99696242,31.08374443,0,6.992481333,7.2444972,7.077232667,7.01827693,6.976766,6.907618778,6.818256,6.718464,0,1.226041937,1.616151017,1.206955979,1.059448402,0.946527686,0.78845341,0.611845756,0.444612905,0,165.54322,145.2240902,157.5664892,161.8918666,164.8684359,170.0551559,176.9688759,184.917652,0,1.810846561,2.233333333,1.759259259,1.697674419,1.630952381,1.458333333,1.25,1,0,0.043083303,-0.005748698,-0.011855041,-0.003534128,-0.008589674,-0.002963015,0.005525861,0.005623043,0,564.9747087,-53.80711511,-80.71067267,-107.6142302,-161.4213453,-80.71067267,80.71067267,121.066009,0,1050.594596,-100.0566282,-150.0849423,-200.1132564,-300.1698846,-150.0849423,150.0849423,225.1274134,0,0.110674667,-0.010540444,-0.015810667,-0.021080889,-0.031621333,-0.015810667,0.015810667,0.023716,0,4.696646663,-0.447299682,-0.670949523,-0.894599364,-1.341899046,-0.670949523,0.670949523,1.006424285,0,25.51225921,-2.429738973,-3.644608459,-4.859477945,-7.289216918,-3.644608459,3.644608459,5.466912688,0,3.740740741,-1.049382716,-0.12962963,-0.117283951,-0.925925926,-0.527777778,0.185185185,0.694444444,0,0.002051586,-2.87E-04,-3.29E-04,-8.22E-05,-2.05E-04,-8.23E-05,2.30E-04,6.25E-04,0,26.90355756,-2.690355756,-2.24196313,-2.502656517,-3.843365365,-2.24196313,3.362944694,13.45177878,0,50.0283141,-5.00283141,-4.169026175,-4.65379666,-7.146902014,-4.169026175,6.253539262,25.01415705,0,0.005270222,-5.27E-04,-4.39E-04,-4.90E-04,-7.53E-04,-4.39E-04,6.59E-04,0.002635111,0,0.223649841,-0.022364984,-0.018637487,-0.020804636,-0.031949977,-0.018637487,0.02795623,0.111824921,0,1.214869486,-0.121486949,-0.101239124,-0.113011115,-0.173552784,-0.101239124,0.151858686,0.607434743,0,0.178130511,-0.052469136,-0.003600823,-0.002727534,-0.022045855,-0.014660494,0.007716049,0.077160494,0,-0.140103774,-0.160513236,-0.040061214,-0.099686809,-0.040118213,0.112227426,0.304536398,0,-0.1,-0.083333333,-0.093023256,-0.142857143,-0.083333333,0.125,0.5,0,-0.1,-0.083333333,-0.093023256,-0.142857143,-0.083333333,0.125,0.5,0,-0.1,-0.083333333,-0.093023256,-0.142857143,-0.083333333,0.125,0.5,0,-0.1,-0.083333333,-0.093023256,-0.142857143,-0.083333333,0.125,0.5,0,-0.1,-0.083333333,-0.093023256,-0.142857143,-0.083333333,0.125,0.5,0,-0.294554455,-0.020214521,-0.015311996,-0.123762376,-0.08230198,0.043316832,0.433168317,0,1.447286256,1.200452584,1.144146491,1.160013484,0.827501684,0.420526451,0.004046772,0,1.5,1.19047619,1.096345515,1.071428571,0.892857143,0.535714286,0,0,1.5,1.19047619,1.096345515,1.071428571,0.892857143,0.535714286,0,0,1.5,1.19047619,1.096345515,1.071428571,0.892857143,0.535714286,0,0,1.5,1.19047619,1.096345515,1.071428571,0.892857143,0.535714286,0,0,1.5,1.19047619,1.096345515,1.071428571,0.892857143,0.535714286,0,0,1.707920792,0.969471947,1.003338706,1.135077793,0.946782178,0.668316832,0,0,26.81117176,13.40558588,20.12264621,26.81117176,3.830167394,13.40559025,0,0.051175182,0.00731074,-2.080750416,27.81951837,3.97421691,2.328016512,26.81117176,13.40558588,20.12264621,26.81117176,3.830167394,13.40559025,0,0.051175182,0.00731074,-2.080750416,27.81951837,3.97421691,2.328016512,26.81117176,13.40558588,20.12264621,26.81117176,3.830167394,13.40559025,0,0.051175182,0.00731074,-2.080750416,27.81951837,3.97421691,2.328016512,26.81117176,13.40558588,20.12264621,26.81117176,3.830167394,13.40559025,0,0.051175182,0.00731074,-2.080750416,27.81951837,3.97421691,2.328016512,26.81117176,13.40558588,20.12264621,26.81117176,3.830167394,13.40559025,0,0.051175182,0.00731074,-2.080750416,27.81951837,3.97421691,2.328016512,26.81117176,13.40558588,20.12264621,26.81117176,3.830167394,13.40559025,0,0.051175182,0.00731074,-2.080750416,27.81951837,3.97421691,2.328016512,33.08719349,16.45331897,25.18151966,32.95822524,4.708317891,16.45331916,-0.180555556,0.18489568,0.026413669,-1.181574453,105.4181935,15.05974194,3.260554665,0,11.89,12.11009426,-0.180970497,0.04348786,5.364311711,8.125129062,6,20,19,19,5,1,1,0,0,1,15.304898,3.549650129,3.072964235,2.668226018,2.170341214,1.765525666,1.136491938,0.70799815,0.083923071,1.901728157,1.614809531,1.41999359,1.044738502,0.83158461,0.429767362,0.241114104,0.083923071,3.571886326,3.109594882,2.723623996,2.23776688,1.851395137,1.244899136,0.847575223,0.270913902,1.847274582,1.536907995,1.320244588,0.933693253,0.701660397,0.27810482,0.072458632,0.270913902,3.672228095,3.271509747,2.960395295,2.520856036,2.20518755,1.684122765,1.388314256,0.943918427,1.692768716,1.303838654,1.006051423,0.574394797,0.270840158,0.235863561,0.516845429,0.943918427,3.588403904,3.136653806,2.764125936,2.286803276,1.913473427,1.322892629,0.946383141,0.399277246,1.813090879,1.486896145,1.254906611,0.86022244,0.614888989,0.176024218,0.042233881,0.399277246,3.722635822,3.350297194,3.070735819,2.649651239,2.362462837,1.875015439,1.613027838,1.207644823,1.646402622,1.230443023,0.90162349,0.451424504,0.119452597,0.421084545,0.737949263,1.207644823,3.589319815,3.182291439,2.839062126,2.394692793,1.962897998,1.381151919,1.059818578,0.545454545,1.827511554,1.403268279,1.163040986,0.748407288,0.530936279,0.092388722,0.174500258,0.545454545,0,0,0,2,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.23570226,0,0,0,0.49279928,0.40824829,0.204124145,0.371785024,0.272165527,0.136082763,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.439157589,2.936722277,1.911315598,1.164933494,0.464615617,0.136082763,0,0,0.777022513,0.489453713,0.3185526,0.232986699,0.154871872,0.136082763,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,4,2,0,2,0,0,0,0,0,0,0,0,3,0,1,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.327546296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.607013889,0,0,1.002708333,0.580555556,0,0.607013889,0,0,0,0,0,0,0,0,6.482962963,0,1.254305556,0,4.327546296,0,0.768518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.105324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.225625,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.061666667,0,1.254305556,0,2.105324074,0,0.768518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.222222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.318472222,0,0,0.290277778,0.290277778,0,0.318472222,0,0,0,0,0,0,0,0,2.222222222,0,1.254305556,0,2.222222222,0,0.768518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.83333333,1.833333333,0.318472222,2.222222222,0.225625,0.768518519,4.943548611,0.564814815,0.222222222,1.621018519,0.564814815,0.222222222,1.621018519,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.92346,0.84621,7.07892,1.15546,0.16507,2.73137,0.3902,3.30805,0.57668,0.08238,0.10595,0.01514,0.10595,0.01514,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.058053137,3.236857303,3.617809684,3.617809684,3.104255644,19.28421252,43.21911587,67.97400337,75.97400337,75.97400337,65.18936853,0.209068641,0.468557469,0.736936107,0.823667631,0.823667631,0.706746655,3.474021589,2.334264286,1.155460119,0.774507738,0.774507738,1.288061779,0.209068641,0.468557469,0.736936107,0.823667631,0.823667631,0.706746655,6.73287657,16.07411706,19.35589302,19.73982637,19.73982637,13.57717789,27.64912502,17.70101564,14.58757905,13.66772079,13.66772079,12.52486365,7,4.166666667,3.84,7,2,6,2.23,1.0519,0.766309432,4.112265279,1.650963624,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,2.979,6,5,3,1,0,0,0,0,0,28,2.079441542,2.197224577,2.197224577,1.945910149,1.098612289,0,0,0,0,0,3.663561646,1.357142857,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,0,126.9918924,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,98.10955045,4.671883355,12.66537523,1.809339318,0,0,0,50,5,3.847,24,1.213039055,2.110743855,2.943799703,3.676286036,4.534438117,5.715392427,7.233371665,0,0,0,73.79407948,75.57864894,78.60514609,74.37994753,53.70735555,24.67678981,7.349568547,0,0,0,277.2830912,330.6923167,379.1592963,409.728671,389.4900838,319.977643,224.8402762,0,0,0,8.823101986,15.0049,20.71882479,25.74637511,31.46447156,39.07777813,48.59714713,0,0,0,2.100081603,2.72500085,3.282961749,3.723261783,3.86302575,3.679215934,3.216050388,0,0,0,173.9682521,327.7715159,472.427757,598.9207394,760.1453789,1002.782715,1337.578104,0,0,0,2.795716384,3.878328807,5.158307856,6.246005051,6.980163886,7.416730854,7.233371665,0,0,0,0.435368659,0.574347049,0.698433166,0.798474775,0.840331413,0.819360352,0.740697258,0,0,0,355.7889023,150.3331263,9.950080283,107.9317718,-45.60490948,-6.725390544,247.8571305,195.9380358,16.67547083,0.767248307,0.324188967,0.021457056,0.232751693,-0.098345646,-0.014503107,164.9866696,69.71257868,4.614057937,50.05019398,-21.14793937,-3.118702637,0.135268726,0.214841992,1.87624815,1.371567658,463.7206741,0,1,0,391.3642354,19.78292788,7.314652719,531.7431071,23.05955566,8.101534573,609.9497314,24.69716039,8.480693118,1.744888195,1.468623321,494.0604383,444.3231163,77.91129375,1.111939533,6.34131991,5.702935927,4.062351416,4.531874652,7.800044778,0.721151924,5.792566674,4.756595832,2.484747825,17.2873212,8.300810728,7.572263351,6.509745546,5.787313748,6.02154838,2.779429677,1.904109492,1.259139717,3.319914752,0.154574913,0.035357695,9.33E-22,4.79E-63,4.78E-126,9.27E-211,3.4968385E-317,0,0,0,0,0,0,0,0,0,0,0.486136201,4.748237484,0.187058402,5.759304031,1.724644967,0.418026199,1.069365245,0.971290053,2.001722398,0.110586157,0.056063366,0.286713638,0.179107343,0.001089532,2.49E-04,6.57E-24,3.37E-65,3.36E-128,6.53E-213,2.46287E-319,0,0,0,0,0,0,0,0,0,0,1.56929179,4.748796131,0.617994032,6.591498885,2.270735676,1.492418219,2.030949838,1.612509972,2.54127464,0.437817746,0.24933205,0.484958955,0.643750375,0.011347104,0.002595055,6.84E-23,3.51E-64,3.51E-127,6.80E-212,2.566483E-318,0,0,0,0,0,0,0,0,0,0,5.467710802,4.755678202,2.330616395,16.04353341,7.616537495,6.997753183,6.124008872,5.371550969,5.676056119,2.539087863,1.725895565,1.199520904,3.065210108,0.137724049,0.03150307,8.31E-22,4.26E-63,4.26E-126,8.26E-211,3.1156205E-317,0,0,0,0,0,0,0,0,0,0,2.312844144,4.749520332,0.925122128,7.614366964,2.882031427,2.344548325,2.735262871,2.154184695,2.9950891,0.727042995,0.436625563,0.62112166,1.015108684,0.024645338,0.005636806,1.49E-22,7.63E-64,7.62E-127,1.48E-211,5.574745E-318,0,0,0,0,0,0,0,0,0,0,6.995361745,4.76045431,3.070719638,22.50342387,11.15419876,9.854438759,7.997769568,7.464002274,7.413613536,3.756686275,2.637846482,1.47998079,4.333852194,0.225430216,0.051565875,1.36E-21,6.98E-63,6.97E-126,1.35E-210,5.0998103E-317,0,0,0,0,0,0,0,0,0,0,3.257357733,4.125644359,1.31609502,9.013535244,4.138456537,3.316726946,3.748637744,2.760777898,3.624209147,1.154166491,0.731568875,0.866387586,1.590388725,0.045992514,0.010519645,2.77E-22,1.42E-63,1.42E-126,2.76E-211,1.0403817E-317,0,0,0,0,0,0,0,0,0,0,5.565567063,1.208847119,0.490197702,0.766120359,0.166402161,0.509509485,0.44486505,0.347031347,7.264611884,10.04872197,20.61134464,0.649180538,1.301405883,4.395190641,0.652021237,0.144264991,0.846616628,0.125594557,0.318030945,0.128817132,0.030565636,5.191476869,3.593893615,9.198798984,0.769924942,0.477413713,4.859831424,0.872502887,0.282524495,0.80797099,0.145057917,0.388648382,0.230811298,0.116540996,6.014858805,5.8597418,13.07256576,0.711956485,0.736000676,5.536573871,1.195006912,0.48170612,0.76755215,0.165667459,0.50422091,0.43465286,0.335262874,7.213286902,9.858887701,20.25925985,0.651328225,1.274136643,5.067029126,0.971111395,0.343733503,0.793971976,0.152167121,0.422430392,0.28621189,0.171968341,6.381874024,6.996160915,15.06942711,0.690957963,0.880610623,5.656341987,1.252188752,0.51676596,0.761766461,0.168638211,0.52624675,0.477627872,0.385129805,7.425296699,10.65290133,21.73835201,0.642649691,1.389004428,5.547778307,1.195456347,0.481536166,0.767882947,0.165466335,0.506261425,0.43499832,0.335118609,7.22477082,9.879238151,20.29761788,0.65182442,1.276378355 +UMLRON0297,L,trans-4-methyl-2-hexene,CCC(C)/C=C/C,5357249, (trans) reported,"Sandia, UML",[1],C7H14,PubChem,,96.8,0,1.5426,2.37961476,35.1843,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1117.887126,893.95858,641.832411,447.02213,154.429632,18.289152,0,3399.790734,4147.41404,5146.671182,4997.655438,3830.86105,2627.961878,1656.593096,559.5073998,0,146.842108,144.889944,254.780376,302.16136,310.784556,187.832648,145.87776,120.932352,0,25.74688067,32.32302034,43.45041525,45.21878842,37.07441308,24.72029948,17.36404786,8.003032287,0,3476.407621,2904.481805,5672.393611,6924.088246,7669.997889,4494.988761,3501.729441,3328.517736,0,38.02777778,44.66666667,63.33333333,73.5,65.5,43,33,18,0,48.76541633,51.7541979,31.05242017,20.78973442,14.26294247,16.55637519,7.353792,1.016064,0,161.8947969,207.370702,142.9630884,116.2245451,85.13024557,97.33192139,78.88538554,31.08374443,0,6.992481333,7.2444972,7.077232667,7.027008372,6.906323467,6.956764741,6.94656,6.718464,0,1.226041937,1.616151017,1.206955979,1.051599731,0.823875846,0.915566648,0.826859422,0.444612905,0,165.54322,145.2240902,157.5664892,161.025308,170.4443975,166.4810652,166.749021,184.917652,0,1.810846561,2.233333333,1.759259259,1.709302326,1.455555556,1.592592593,1.571428571,1,0,0.043631609,-0.004050431,-0.01570374,-0.009544832,0.006655094,-0.004167763,-0.00637116,0.011367029,0,564.9747087,-53.80711511,-80.71067267,-269.0355756,121.066009,-40.35533633,-201.7766817,242.132018,0,1050.594596,-100.0566282,-150.0849423,-500.283141,225.1274134,-75.04247115,-375.2123557,450.2548269,0,0.110674667,-0.010540444,-0.015810667,-0.052702222,0.023716,-0.007905333,-0.039526667,0.047432,0,4.696646663,-0.447299682,-0.670949523,-2.236498411,1.006424285,-0.335474762,-1.677373808,2.01284857,0,25.51225921,-2.429738973,-3.644608459,-12.14869486,5.466912688,-1.822304229,-9.111521147,10.93382538,0,3.740740741,-1.049382716,0.083333333,-1.533950617,0.759259259,0.194444444,-1.712962963,1.388888889,0,0.002077696,-2.03E-04,-4.36E-04,-2.22E-04,1.48E-04,-1.54E-04,-3.03E-04,6.32E-04,0,26.90355756,-2.690355756,-2.24196313,-6.256641292,2.690355756,-1.494642086,-9.608413413,13.45177878,0,50.0283141,-5.00283141,-4.169026175,-11.63449165,5.00283141,-2.779350783,-17.86725503,25.01415705,0,0.005270222,-5.27E-04,-4.39E-04,-0.001225633,5.27E-04,-2.93E-04,-0.001882222,0.002635111,0,0.223649841,-0.022364984,-0.018637487,-0.052011591,0.022364984,-0.012424991,-0.079874943,0.111824921,0,1.214869486,-0.121486949,-0.101239124,-0.282527788,0.121486949,-0.067492749,-0.433881959,0.607434743,0,0.178130511,-0.052469136,0.002314815,-0.03567327,0.016872428,0.007201646,-0.081569665,0.077160494,0,-0.097474127,-0.209951346,-0.106836069,0.071180284,-0.074294608,-0.146021671,0.303943261,0,-0.1,-0.083333333,-0.23255814,0.1,-0.055555556,-0.357142857,0.5,0,-0.1,-0.083333333,-0.23255814,0.1,-0.055555556,-0.357142857,0.5,0,-0.1,-0.083333333,-0.23255814,0.1,-0.055555556,-0.357142857,0.5,0,-0.1,-0.083333333,-0.23255814,0.1,-0.055555556,-0.357142857,0.5,0,-0.1,-0.083333333,-0.23255814,0.1,-0.055555556,-0.357142857,0.5,0,-0.294554455,0.01299505,-0.200264794,0.094719472,0.040429043,-0.457920792,0.433168317,0,1.403562793,1.267284199,1.159751752,0.799932717,1.150383554,0.919819368,0.003536262,0,1.5,1.19047619,1.245847176,0.714285714,0.952380952,1.224489796,0,0,1.5,1.19047619,1.245847176,0.714285714,0.952380952,1.224489796,0,0,1.5,1.19047619,1.245847176,0.714285714,0.952380952,1.224489796,0,0,1.5,1.19047619,1.245847176,0.714285714,0.952380952,1.224489796,0,0,1.5,1.19047619,1.245847176,0.714285714,0.952380952,1.224489796,0,0,1.707920792,0.934405941,1.215749482,0.731023102,0.924092409,1.52758133,0,0,27.8572348,13.9286174,21.86902474,27.8572348,3.979604971,13.92862001,3.55E-15,0.011880919,0.001697274,-3.102975155,35.3537973,5.050542472,2.495784065,27.8572348,13.9286174,21.86902474,27.8572348,3.979604971,13.92862001,3.55E-15,0.011880919,0.001697274,-3.102975155,35.3537973,5.050542472,2.495784065,27.8572348,13.9286174,21.86902474,27.8572348,3.979604971,13.92862001,3.55E-15,0.011880919,0.001697274,-3.102975155,35.3537973,5.050542472,2.495784065,27.8572348,13.9286174,21.86902474,27.8572348,3.979604971,13.92862001,3.55E-15,0.011880919,0.001697274,-3.102975155,35.3537973,5.050542472,2.495784065,27.8572348,13.9286174,21.86902474,27.8572348,3.979604971,13.92862001,3.55E-15,0.011880919,0.001697274,-3.102975155,35.3537973,5.050542472,2.495784065,27.8572348,13.9286174,21.86902474,27.8572348,3.979604971,13.92862001,3.55E-15,0.011880919,0.001697274,-3.102975155,35.3537973,5.050542472,2.495784065,34.36060687,17.09002566,27.42671686,34.23163862,4.890234088,17.09002576,-0.180555556,0.124629645,0.017804235,-1.457686148,21.49102848,3.070146926,2.147344898,0,11.89,12.11009426,-0.16325312,0.057662074,5.295743149,7.575723995,6,20,19,19,5,1,1,0,0,1,15.304898,3.529814949,3.159514953,2.444603975,2.333552793,1.809595615,1.03289552,0.757100705,0.083923071,1.898132398,1.653170638,1.249629723,1.237071133,0.788615264,0.389700101,0.26329776,0.083923071,3.553457415,3.192168256,2.50341464,2.405454588,1.885800148,1.148941861,0.893057276,0.270913902,1.841975384,1.580665567,1.134540686,1.133191398,0.665710498,0.233331616,0.096481722,0.270913902,3.659503163,3.337607498,2.75465521,2.704236987,2.204898831,1.614548893,1.422243828,0.943918427,1.681079346,1.366890904,0.802967036,0.76031856,0.264994969,0.301418868,0.484566526,0.943918427,3.570986852,3.216342908,2.546428013,2.457539916,1.941196856,1.232163773,0.989463359,0.399277246,1.806582989,1.534394173,1.064885344,1.058262671,0.58414598,0.12775141,0.016841608,0.399277246,3.712372308,3.409126846,2.871291923,2.838982085,2.349304718,1.814653975,1.643205628,1.207644823,1.632311777,1.300532342,0.69237694,0.631337262,0.12682676,0.496302336,0.701659023,1.207644823,3.573718715,3.258603748,2.608766373,2.571572866,2.00096891,1.277559265,1.113012339,0.545454545,1.822326573,1.451122122,0.990140869,0.935209229,0.48978151,0.051655513,0.154215419,0.545454545,0,0,0,2,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.204124145,0.23570226,0.136082763,0.136082763,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,5.439157589,2.881880722,2.198584704,0.843189545,0.40824829,0.272165527,0,0,0.777022513,0.480313454,0.366430784,0.210797386,0.136082763,0.136082763,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,4,2,0,2,0,0,0,0,0,0,0,0,3,0,1,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.296296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.624791667,0,0,0.984930556,0.580555556,0,0.624791667,0,0,0,0,0,0,0,0,6.502361111,0,1.21875,0,4.296296296,0,0.815925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.097222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.225625,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.057916667,0,1.21875,0,2.097222222,0,0.815925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.199074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.324097222,0,0,0.290277778,0.290277778,0,0.324097222,0,0,0,0,0,0,0,0,2.222222222,0,1.21875,0,2.199074074,0,0.815925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.83333333,1.833333333,0.324097222,2.222222222,0.225625,0.815925926,4.946188981,0.517407407,0.222222222,1.597314815,0.517407407,0.222222222,1.597314815,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.90431,0.84347,7.02591,1.1216,0.16023,2.66649,0.38093,3.27005,0.60355,0.08622,0.14395,0.02056,0.14395,0.02056,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.058053137,3.141619208,3.236857303,3.236857303,2.818541358,19.28421252,43.21911587,65.97400337,67.97400337,67.97400337,59.18936853,0.209068641,0.468557469,0.715253226,0.736936107,0.736936107,0.641698012,3.474021589,2.334264286,1.250698215,1.155460119,1.155460119,1.573776064,0.209068641,0.468557469,0.715253226,0.736936107,0.736936107,0.641698012,6.73287657,16.07411706,18.21303588,18.30901922,18.30901922,13.28922788,27.64912502,17.70101564,15.95461758,15.72677782,15.72677782,13.21688215,7,4.166666667,6,7,2,6,2.23,1.0519,0.814325285,3.639717277,1.889881575,0,2.381101578,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,2.979,6,4,3,2,0,0,0,0,0,28,2.079441542,2.197224577,1.945910149,1.945910149,1.609437912,0,0,0,0,0,3.663561646,1.357142857,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,0,126.9918924,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,98.10955045,4.671883355,12.67036528,1.810052182,0,0,0,52,4,3.851,24,1.212632308,2.109700381,2.945047067,3.609796991,4.773589099,5.80747124,6.458560155,0,0,0,73.71868539,75.38389244,70.4402197,63.86375177,91.26007194,44.69878225,6.562310465,0,0,0,277.0717728,330.1004506,366.9801458,348.1063703,506.0046327,473.1479002,200.7562332,0,0,0,8.819981422,14.99659654,20.74429647,25.04488514,33.3285754,40.41363435,43.39160389,0,0,0,2.098735329,2.721103558,3.242783802,3.239675941,4.642795749,4.922096289,2.871559191,0,0,0,173.9200089,327.6719055,470.7691294,606.7144587,785.7101429,962.6800331,1194.301779,0,0,0,2.794117317,3.877274706,5.172456363,5.537652325,7.925396226,9.305617109,6.458560155,0,0,0,0.435099075,0.573562941,0.691769811,0.698892074,0.997806892,1.076029927,0.66135656,0,0,0,352.7139376,150.3570099,10.4186157,135.795277,-57.88762401,-8.967099663,216.9186606,208.2446339,19.38571537,0.722021053,0.307787459,0.021327368,0.277978947,-0.11849853,-0.01835605,172.3040086,73.4507848,5.089589775,66.33724411,-28.27863774,-4.380510813,0.133468028,0.213527372,2.049094787,10.11972788,488.5092146,0,1,0,392.3835036,19.80867243,7.320997304,532.7165621,23.08065342,8.106475349,602.6368475,24.54866285,8.446664171,2.211674875,2.211674875,522.3562213,472.4385054,77.40531744,1.105659711,6.748324773,6.103437347,4.137881647,4.636133968,8.029392052,0.731915451,5.773496048,4.755284486,2.392515536,15.06811347,8.232490055,5.918709823,2.697236477,4.989592803,4.997222245,2.556501533,3.877267417,2.883019887,2.000757875,0.092565654,0.917237109,2.41E-10,1.22E-41,1.19E-94,2.24E-169,8.14E-266,0,0,0,0,0,0,0,0,0,0,0.484537449,4.748713305,0.195102952,5.762436496,0.974016649,0.446289492,0.610440311,0.179404196,2.115891383,0.162497884,0.095426852,0.280166999,0.03200629,6.53E-04,0.006460176,1.70E-12,8.59E-44,8.38E-97,1.58E-171,5.74E-268,0,0,0,0,0,0,0,0,0,0,1.564126655,4.749152531,0.633561657,6.416600277,1.489573821,1.473730248,1.024101872,0.729281706,2.509951888,0.558474701,0.459552023,0.785585294,0.192870865,0.006795453,0.067320014,1.77E-11,8.95E-43,8.74E-96,1.65E-170,5.98E-267,0,0,0,0,0,0,0,0,0,0,5.449709792,4.754563073,2.254425524,14.05787247,7.446374319,5.551995756,2.565133677,4.542294685,4.752169964,2.377151564,3.501469417,2.714519799,1.79497464,0.082474776,0.81724175,2.15E-10,1.09E-41,1.06E-94,2.00E-169,7.26E-266,0,0,0,0,0,0,0,0,0,0,2.305230801,4.749721896,0.937542788,7.235425465,2.130328492,2.205639292,1.311719104,1.235020528,2.838088604,0.85782206,0.830605444,1.140223259,0.374857121,0.014759044,0.146228067,3.84E-11,1.94E-42,1.90E-95,3.57E-170,1.30E-266,0,0,0,0,0,0,0,0,0,0,6.972330814,4.758317902,2.907849606,19.30879729,11.53116242,7.312475853,3.191293503,6.819254102,5.982497987,3.257785213,5.432493316,3.517295025,2.859484255,0.134996203,1.337704119,3.51E-10,1.78E-41,1.74E-94,3.27E-169,1.19E-265,0,0,0,0,0,0,0,0,0,0,3.245302336,4.125165932,1.313796314,8.393472985,3.318316868,3.038258353,1.746001962,2.005357406,3.307453369,1.319080223,1.364412174,1.693340999,0.664595897,0.027542691,0.272896991,7.16E-11,3.63E-42,3.54E-95,6.67E-170,2.42E-266,0,0,0,0,0,0,0,0,0,0,5.78940035,1.213744316,0.485087635,0.773133113,0.162086894,0.535047785,0.46432867,0.358168332,7.488232301,10.42399065,21.32086185,0.65969967,1.357544787,4.685144679,0.651806279,0.140275294,0.85538637,0.119002986,0.352089097,0.134241942,0.028920339,5.477226252,3.802449083,9.708048971,0.783079554,0.515251379,5.123034785,0.874883636,0.278014159,0.816298569,0.139402969,0.420015446,0.241852585,0.115799409,6.27593258,6.149565544,13.67157407,0.724447854,0.777667439,5.761997744,1.199831301,0.476616412,0.774623915,0.161301351,0.530039001,0.453818689,0.345611315,7.438445457,10.23154723,20.96504463,0.661935873,1.329469006,5.318526172,0.974399056,0.339023635,0.801955244,0.146924995,0.452300642,0.299882999,0.173216133,6.631948864,7.315817272,15.704711,0.702932867,0.925399774,5.875209079,1.257298203,0.511594334,0.768593796,0.164479525,0.550887064,0.497980364,0.398914519,7.644101616,11.03584013,22.45903272,0.652890694,1.447781947,5.774022359,1.200599176,0.476345913,0.774935926,0.161133327,0.53226815,0.454394869,0.345332631,7.450967447,10.25461895,21.00775273,0.662403889,1.33199565 +UMLRON0298,L,trans-5-methyl-2-hexene,C/C=C/CC(C)C,5357252,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C7H14,PubChem,,94.3,0,0.5056,0.25563136,36.8428,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1190.529654,1013.078141,815.305348,640.730667,472.25237,281.592025,84.835296,3885.475125,4800.404174,5835.09088,5418.88368,4381.00159,3541.508989,2888.518855,2068.222976,1061.424631,167.819552,166.665724,297.486168,362.252084,292.64872,230.562156,208.786376,186.21226,123.32736,29.42500648,37.33900896,50.13168111,49.55779744,40.09165568,32.40798963,27.39200101,21.03814958,12.01662072,3973.037281,3337.521256,6591.128897,8625.609131,6961.736324,5419.19096,4986.151509,4616.702266,3137.747111,41,48.5,72,80.25,65.5,50.25,43,37,24,48.76541633,52.3287937,28.34594414,19.48227194,19.4120321,19.41608082,15.74174567,10.42933426,4.713072,161.8947969,208.713225,138.9307352,104.2093015,104.3095617,107.3184542,96.28396182,76.60085098,58.96803508,6.992481333,7.246335826,7.083004,6.966386231,6.967826667,6.986732,6.959545867,6.89675037,6.85152,1.226041937,1.623435172,1.193611455,0.953034566,0.95456323,0.982060292,0.9130667,0.779190725,0.66759004,165.54322,145.1096198,156.9316404,165.8770987,165.7556268,164.2179079,166.2050503,170.9889728,174.3192839,1.708333333,2.108695652,1.714285714,1.543269231,1.55952381,1.522727273,1.433333333,1.37037037,1.333333333,0.048115405,-0.004461952,-0.022700757,0.003048331,-0.002523186,-0.004721225,0.002805121,0.001379413,-0.00163888,645.6853813,-53.80711511,-242.132018,13.45177878,-1.60E-13,-80.71067267,-80.71067267,-3.02E-13,-2.74E-13,1200.679538,-100.0566282,-450.2548269,25.01415705,1.42E-13,-150.0849423,-150.0849423,1.42E-13,8.53E-14,0.126485333,-0.010540444,-0.047432,0.002635111,-3.70E-16,-0.015810667,-0.015810667,-1.09E-15,-1.09E-15,5.367596186,-0.447299682,-2.01284857,0.111824921,-9.16E-16,-0.670949523,-0.670949523,-4.25E-15,-4.47E-15,29.15686767,-2.429738973,-10.93382538,0.607434743,1.31E-14,-3.644608459,-3.644608459,4.15E-14,4.15E-14,3.5,-0.5625,-1.125,0.25,-0.125,-0.6875,-0.125,0.4375,-0.375,0.002004809,-1.94E-04,-5.40E-04,5.86E-05,-6.01E-05,-1.43E-04,9.35E-05,5.11E-05,-9.10E-05,26.90355756,-2.339439787,-5.765048048,0.258688053,-3.81E-15,-2.44577796,-2.690355756,-1.12E-14,-1.52E-14,50.0283141,-4.350288182,-10.72035302,0.481041482,3.38E-15,-4.548028554,-5.00283141,5.26E-15,4.74E-15,0.005270222,-4.58E-04,-0.001129333,5.07E-05,-8.82E-18,-4.79E-04,-5.27E-04,-4.04E-17,-6.03E-17,0.223649841,-0.019447812,-0.047924966,0.002150479,-2.18E-17,-0.020331804,-0.022364984,-1.57E-16,-2.48E-16,1.214869486,-0.105640825,-0.260329176,0.011681437,3.12E-16,-0.110442681,-0.121486949,1.54E-15,2.31E-15,0.145833333,-0.024456522,-0.026785714,0.004807692,-0.00297619,-0.020833333,-0.004166667,0.016203704,-0.020833333,-0.096766294,-0.269598918,0.029240568,-0.029965888,-0.071362136,0.04663988,0.025483418,-0.045415253,-0.086956522,-0.214285714,0.009615385,-1.41E-16,-0.090909091,-0.1,-4.16E-16,-5.65E-16,-0.086956522,-0.214285714,0.009615385,6.76E-17,-0.090909091,-0.1,1.05E-16,9.47E-17,-0.086956522,-0.214285714,0.009615385,-1.67E-15,-0.090909091,-0.1,-7.67E-15,-1.14E-14,-0.086956522,-0.214285714,0.009615385,-9.75E-17,-0.090909091,-0.1,-7.03E-16,-1.11E-15,-0.086956522,-0.214285714,0.009615385,2.57E-16,-0.090909091,-0.1,1.27E-15,1.90E-15,-0.167701863,-0.183673469,0.032967033,-0.020408163,-0.142857143,-0.028571429,0.111111111,-0.142857143,1.425677748,1.340886292,0.979066547,1.172229138,1.149922886,0.710370311,0.605573931,0.618780145,1.5,1.334821429,0.912259615,0.924107143,1.045454545,1.00625,0.798611111,0.71875,1.5,1.334821429,0.912259615,0.924107143,1.045454545,1.00625,0.798611111,0.71875,1.5,1.334821429,0.912259615,0.924107143,1.045454545,1.00625,0.798611111,0.71875,1.5,1.334821429,0.912259615,0.924107143,1.045454545,1.00625,0.798611111,0.71875,1.5,1.334821429,0.912259615,0.924107143,1.045454545,1.00625,0.798611111,0.71875,1.571428571,1.212585034,0.947802198,1.056122449,1.045454545,0.766666667,0.669312169,1.095238095,39.81210221,19.90605111,31.45595562,39.81210221,4.976512776,19.90605111,1.07E-14,5.55E-16,6.94E-17,-28.10189013,46.15774863,5.769718579,3.065651878,39.81210221,19.90605111,31.45595562,39.81210221,4.976512776,19.90605111,1.07E-14,5.55E-16,6.94E-17,-28.10189013,46.15774863,5.769718579,3.065651878,39.81210221,19.90605111,31.45595562,39.81210221,4.976512776,19.90605111,1.07E-14,5.55E-16,6.94E-17,-28.10189013,46.15774863,5.769718579,3.065651878,39.81210221,19.90605111,31.45595562,39.81210221,4.976512776,19.90605111,1.07E-14,5.55E-16,6.94E-17,-28.10189013,46.15774863,5.769718579,3.065651878,39.81210221,19.90605111,31.45595562,39.81210221,4.976512776,19.90605111,1.07E-14,5.55E-16,6.94E-17,-28.10189013,46.15774863,5.769718579,3.065651878,39.81210221,19.90605111,31.45595562,39.81210221,4.976512776,19.90605111,1.07E-14,5.55E-16,6.94E-17,-28.10189013,46.15774863,5.769718579,3.065651878,44.16620805,21.99977069,34.61092785,44.04120805,5.505151006,21.99977069,-0.166666667,8.88E-16,1.11E-16,-27.72588722,60.06740012,7.508425015,3.276373814,0,11.89,12.11011416,-0.168912021,0.051561084,5.140065502,7.202985825,7,23,22,22,6,1,1,0,0,1,17.491312,3.531092782,3.216500786,2.869901893,2.330331032,1.922990144,1.427533299,1.250695299,0.748770527,1.895748223,1.740392016,1.461717742,1.166111283,0.88270792,0.658039775,0.561483039,0.260231199,3.554404785,3.252831123,2.911155362,2.39241487,1.997022214,1.530007634,1.36406611,0.885469075,1.8399447,1.666231592,1.378978703,1.056769624,0.761425094,0.512696334,0.41093216,0.093081751,3.65912492,3.411335732,3.091354536,2.65768536,2.308428908,1.946180134,1.815009902,1.416965586,1.680464059,1.442649629,1.12689949,0.70867222,0.367311768,0.022232919,0.103968651,0.489523771,3.571697159,3.279544313,2.941517817,2.437831855,2.050922761,1.603771955,1.445049763,0.982363188,1.804811285,1.618506105,1.325481091,0.984830156,0.681025895,0.415022076,0.309297621,0.020493383,3.711433242,3.487495056,3.177725729,2.780756788,2.450029769,2.127758149,2.007862938,1.638652831,1.632248229,1.371415381,1.045992291,0.591941884,0.232038084,0.153697611,0.291981511,0.707400829,3.608036414,3.285009086,3.041123948,2.504637278,2.133104503,1.680721406,1.526764541,1.140667771,1.775840195,1.596526627,1.206354878,0.890691598,0.564606323,0.309014501,0.192733423,0.187131169,0,0,0,2,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.983127663,3.564043477,2.04875479,1.077350269,0.569035594,0.319035594,0.166666667,0.083333333,0.747890958,0.509149068,0.341459132,0.215470054,0.142258898,0.106345198,0.083333333,0.083333333,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,6,2,0,2,0,0,0,0,0,0,0,0,2,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.534722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.581388889,0,0,1.518611111,0.580555556,0,0.581388889,0,0,0,0,0,0,0,0,4.409297052,0,5.055980726,0,4.534722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,0.225625,0.290277778,0,0.290694444,0,0,0,0,0,0,0,0,2.204648526,0,1.25,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,0.290277778,0.290277778,0,0.290694444,0,0,0,0,0,0,0,0,2.204648526,0,1.277990363,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,1.75,0.290694444,2.267361111,0.225625,1.25,5.611521259,0.25,0.267361111,1.888038549,0.25,0.267361111,1.888038549,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.25,0,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,6.78264,0.84783,7.95768,1.17504,0.14688,3.37132,0.42142,3.91421,0.54289,0.06786,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,0.75,0.918295834,1.947338796,2.855388542,2.855388542,2.855388542,2.688721876,22.03910002,46.73613111,68.52932501,68.52932501,68.52932501,64.52932501,0.200284263,0.424722949,0.622772496,0.622772496,0.622772496,0.586421781,3.666666667,2.637623705,1.729573959,1.729573959,1.729573959,1.896240625,0.200284263,0.424722949,0.622772496,0.622772496,0.622772496,0.586421781,6.73287657,15.09808847,16.01324374,16.01324374,16.01324374,14.01324374,31.59900002,21.28780565,21.38396042,21.38396042,21.38396042,24.55388542,8,7,7.2,8,2,8,2.34,1.1928,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.706,6,5,4,3,2,1,0,0,0,36,2.197224577,2.197224577,2.197224577,2.197224577,1.945910149,1.609437912,1.098612289,0,0,0,3.970291914,1.444444444,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,144.287877,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,112.1252005,4.671883355,14.83110795,1.853888494,0,0,0,84,5,4.376,26,1.214941501,2.11248199,2.885267684,3.668573271,5.053286414,6.045113584,7.269849591,8.335584153,9.589839999,0,74.61841758,68.04211168,68.68650984,91.57535101,115.2000319,111.6628137,85.83154753,42.45584281,9.743891189,0,279.3735926,317.2369097,332.9744958,450.3563015,593.406483,640.7871986,593.5099254,515.439651,298.0881357,0,8.839206964,15.01830289,20.15968254,25.75384163,35.43102792,42.25117532,50.25377425,57.22549727,64.4289948,0,2.112358211,2.667759244,2.936778582,3.944072718,5.28149231,5.913470418,5.912678146,5.755922689,4.263766619,0,174.0999243,327.4920393,474.4977037,593.7226582,820.7093283,991.0990912,1234.284908,1443.966536,1773.330696,0,2.651173223,3.746534178,4.622187711,6.172561928,7.968672312,9.014953725,10.23856893,11.39989596,9.589839999,0,0.437780654,0.563985241,0.627546911,0.84095331,1.129041871,1.271528164,1.288589207,1.275213122,0.981999616,0,385.1669824,185.2017238,10.85608586,136.1412122,-65.46144486,-8.839838081,249.0257702,250.6631687,19.69592394,0.738846975,0.355263404,0.020824698,0.261153025,-0.125571486,-0.016957029,200.7907042,96.54717629,5.659366518,70.97152952,-34.12558763,-4.60828003,0.118326526,0.182891097,1.926572084,1.616221623,521.3081946,0,1,0,456.9636291,21.37670763,7.702420272,617.1452802,24.84240891,8.513911614,686.0386189,26.19233894,8.819612845,3.29041009,3.29041009,1006.61386,983.5476635,42.03573791,1.023452037,23.94662042,23.39789219,4.407048001,5.879775082,10.51314287,0.788017862,6.513366457,5.882233671,3.06063478,23.7896382,10.47183067,1.715027722,5.245819474,7.038913691,11.61824487,0.046526686,0.728847688,10.72688491,2.889285778,10.36141851,0.001713987,4.318797249,4.381934847,0.384194597,0.010089221,0.982874822,5.08E-11,5.07E-43,9.74E-97,3.61E-172,2.58E-269,0,0,0,0,0,0.5466297,5.87609189,0.252528738,6.133094869,0.079263566,0.144232986,0.805203289,0.067584559,4.168099108,3.34E-04,0.04315909,0.819091562,0.049479463,2.312850264,1.23E-05,0.063537157,0.333684525,0.030623305,7.12E-05,0.006922468,3.58E-13,3.57E-45,6.86E-99,2.54E-174,1.82E-271,0,0,0,0,0,1.764567878,5.876502448,0.818046137,7.39432711,0.782728369,0.463020995,1.711042559,0.562884825,5.141313077,0.003430986,0.148257006,2.571978342,0.286897798,3.418342981,1.26E-04,0.401806213,1.074645752,0.099922885,7.41E-04,0.072137451,3.73E-12,3.72E-44,7.15E-98,2.65E-173,1.90E-270,0,0,0,0,0,6.148087109,5.881559412,2.886008704,21.87989643,9.334006285,1.618212205,4.973761121,6.283945579,10.96845798,0.041458779,0.674535978,10.02499494,2.594359333,9.678579564,0.001527262,3.870683539,4.103901734,0.361533248,0.00898944,0.875723771,4.53E-11,4.51E-43,8.68E-97,3.22E-172,2.30E-269,0,0,0,0,0,2.600644256,5.877034621,1.208535536,8.955762586,1.686632737,0.682406695,2.333046567,1.178345263,5.971963864,0.007437053,0.230755792,3.855301797,0.551498165,4.33679178,2.74E-04,0.791480374,1.608641407,0.148347589,0.001609016,0.156692183,8.10E-12,8.08E-44,1.55E-97,5.76E-173,4.12E-270,0,0,0,0,0,7.865831472,5.885068809,3.710280171,31.8016162,15.25421006,2.074232967,6.253364144,10.20685401,14.24403857,0.067834243,0.943944228,13.43392121,4.118737833,13.10552095,0.002499073,6.190977384,5.445658567,0.469252929,0.014713585,1.433430555,7.41E-11,7.39E-43,1.42E-96,5.27E-172,3.77E-269,0,0,0,0,0,3.743438884,5.328487252,1.805118974,11.76904362,3.440523305,0.838528961,3.521796307,2.374735066,7.164784471,0.015218413,0.392641122,5.571235502,1.005301816,5.907436808,5.60E-04,1.480373018,2.667233495,0.244024189,0.003295215,0.320938717,1.66E-11,1.65E-43,3.18E-97,1.18E-172,8.44E-270,0,0,0,0,0,10.54324969,0.781791816,0.392130348,0.899811817,0.066721887,0.599171322,0.617091059,0.499987945,11.71717185,12.68351878,27.63287456,0.849717725,1.716250325,8.68695457,0.290223028,0.08453712,0.958643572,0.032027385,0.406956815,0.086006257,0.02323772,9.061714718,3.280059003,12.55490484,0.937965359,0.516200793,9.42402672,0.485646213,0.206703166,0.931561522,0.048005947,0.478826537,0.23983083,0.138928991,10.1163761,6.625103658,17.687507,0.897342284,0.857586358,10.49727563,0.76963938,0.384515206,0.900943098,0.066055357,0.593961575,0.598237452,0.480757051,11.65143022,12.41141685,27.1693903,0.851414646,1.672956078,9.752654996,0.57266949,0.261157601,0.921236622,0.054094409,0.512759948,0.332809432,0.221770597,10.58648209,8.281584933,20.32664475,0.881854933,1.067339977,10.68718706,0.819832981,0.415971323,0.896351153,0.068760679,0.615629798,0.677958193,0.562633267,11.92299137,13.54829879,29.1159096,0.84452673,1.856221257,10.50960433,0.769659692,0.384868675,0.901018927,0.065985163,0.595351974,0.598029557,0.481641336,11.6641327,12.42985423,27.20711991,0.851528391,1.675022867 +UMLRON0299,L,trans-4-octene,CCC/C=C/CCC,5357253,[4] has 94.6 / 80.6 for RON / MON; (trans) reported,"Sandia, UML",[1],C8H16,PubChem,,73.15,0,2.9099,8.46751801,39.4599,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1663.702666,1617.230504,935.450715,263.650464,27.433728,0,0,3885.475125,4800.404174,6651.947662,7841.377869,6677.791077,3464.027594,839.2610996,0,0,167.819552,166.665724,297.181864,350.949536,501.763116,430.448256,181.398528,0,0,29.42500648,37.33900896,53.48844684,65.95972249,65.13331524,40.0513783,12.00454843,0,0,3973.037281,3337.521256,6644.791652,7387.764618,11899.69199,11077.5002,4992.776605,0,0,44.34027778,52.25,75.25,102.5,117.75,81,27,0,0,48.76541633,52.3287937,39.61196824,33.00470416,12.99237104,4.184928,1.016064,0,0,161.8947969,208.713225,158.3797062,160.0281198,92.74709829,54.98456499,31.08374443,0,0,6.992481333,7.246335826,7.075758667,7.162235429,6.968932167,6.832512,6.718464,0,0,1.226041937,1.623435172,1.273534449,1.346116786,0.904629378,0.635736163,0.444612905,0,0,165.54322,145.1096198,158.2093251,150.7707065,165.2734999,175.8333365,184.917652,0,0,1.847511574,2.27173913,1.791666667,2.091836735,1.635416667,1.285714286,1,0,0,0.039445693,-0.006904634,0.017142656,-0.027717358,-0.032484437,0.012780187,0.017460739,0,0,645.6853813,-53.80711511,282.4873543,-551.5229299,-484.264036,121.066009,363.198027,0,0,1200.679538,-100.0566282,525.297298,-1025.580439,-900.5096538,225.1274134,675.3822403,0,0,0.126485333,-0.010540444,0.055337333,-0.108039556,-0.094864,0.023716,0.071148,0,0,5.367596186,-0.447299682,2.348323331,-4.584821742,-4.025697139,1.006424285,3.019272855,0,0,29.15686767,-2.429738973,12.75612961,-24.90482447,-21.86765075,5.466912688,16.40073807,0,0,4.513599537,-2.332766686,3.137948495,-2.009247203,-3.340277778,0.045030382,2.242513021,0,0,0.001643571,-3.00E-04,4.08E-04,-5.66E-04,-4.51E-04,2.03E-04,6.47E-04,0,0,26.90355756,-2.339439787,6.725889389,-11.25557,-6.725889389,1.921682683,13.45177878,0,0,50.0283141,-4.350288182,12.50707852,-20.93021304,-12.50707852,3.573451007,25.01415705,0,0,0.005270222,-4.58E-04,0.001317556,-0.002204889,-0.001317556,3.76E-04,0.002635111,0,0,0.223649841,-0.019447812,0.05591246,-0.093567791,-0.05591246,0.015974989,0.111824921,0,0,1.214869486,-0.105640825,0.303717372,-0.508261724,-0.303717372,0.086776392,0.607434743,0,0,0.188066647,-0.101424639,0.074713059,-0.041005045,-0.046392747,7.15E-04,0.083056038,0,0,-0.182652009,0.248336452,-0.344165561,-0.27450768,0.123426473,0.393468996,0,0,-0.086956522,0.25,-0.418367347,-0.25,0.071428571,0.5,0,0,-0.086956522,0.25,-0.418367347,-0.25,0.071428571,0.5,0,0,-0.086956522,0.25,-0.418367347,-0.25,0.071428571,0.5,0,0,-0.086956522,0.25,-0.418367347,-0.25,0.071428571,0.5,0,0,-0.086956522,0.25,-0.418367347,-0.25,0.071428571,0.5,0,0,-0.539301572,0.397269056,-0.218034646,-0.24668248,0.00380061,0.441630874,0,0,1.525973743,0.832502693,1.752213595,1.190443027,0.544078768,0.003339418,0,0,1.5,0.872767857,1.672193878,1.16796875,0.616071429,0,0,0,1.5,0.872767857,1.672193878,1.16796875,0.616071429,0,0,0,1.5,0.872767857,1.672193878,1.16796875,0.616071429,0,0,0,1.5,0.872767857,1.672193878,1.16796875,0.616071429,0,0,0,1.5,0.872767857,1.672193878,1.16796875,0.616071429,0,0,0,2.003205334,0.479829293,1.463500408,1.280562857,0.727958752,0,0,0,29.58010456,14.79005228,20.83669301,29.58010456,3.69751307,14.79005338,-1.24E-14,0.003766973,4.71E-04,-4.465186896,24.42710954,3.053388693,2.55655485,29.58010456,14.79005228,20.83669301,29.58010456,3.69751307,14.79005338,-1.24E-14,0.003766973,4.71E-04,-4.465186896,24.42710954,3.053388693,2.55655485,29.58010456,14.79005228,20.83669301,29.58010456,3.69751307,14.79005338,-1.24E-14,0.003766973,4.71E-04,-4.465186896,24.42710954,3.053388693,2.55655485,29.58010456,14.79005228,20.83669301,29.58010456,3.69751307,14.79005338,-1.24E-14,0.003766973,4.71E-04,-4.465186896,24.42710954,3.053388693,2.55655485,29.58010456,14.79005228,20.83669301,29.58010456,3.69751307,14.79005338,-1.24E-14,0.003766973,4.71E-04,-4.465186896,24.42710954,3.053388693,2.55655485,29.58010456,14.79005228,20.83669301,29.58010456,3.69751307,14.79005338,-1.24E-14,0.003766973,4.71E-04,-4.465186896,24.42710954,3.053388693,2.55655485,39.19317322,19.49450328,28.45642338,39.04004822,4.880006027,19.49450328,-0.204166667,0.121542353,0.015192794,-1.685993995,22.37726821,2.797158526,2.486436505,0,11.89,12.11011416,-0.148416445,0.07517386,5.77330662,9.399002439,7,23,22,22,6,1,1,0,0,1,17.491312,3.65282218,3.072240365,2.560068045,2.333552793,2.333552793,1.796336516,0.84587204,0.083923071,1.942153747,1.608613929,1.359884664,1.249629723,1.249629723,0.733794725,0.052800202,0.083923071,3.66979288,3.107711003,2.619775242,2.405454588,2.405454588,1.871255375,0.940636381,0.270913902,1.894671925,1.530452766,1.255169952,1.134540686,1.134540686,0.617632103,0.172411472,0.270913902,3.748610711,3.266249538,2.873771832,2.704236987,2.704236987,2.180249753,1.325389098,0.943918427,1.765196653,1.29819381,0.92248453,0.76031856,0.76031856,0.237727527,0.605005295,0.943918427,3.682515018,3.134015369,2.663370632,2.457539916,2.457539916,1.925421197,1.008966253,0.399277246,1.8653355,1.480383738,1.186349526,1.058262671,1.058262671,0.540572622,0.255461898,0.399277246,3.789583403,3.344237336,2.991339789,2.838982085,2.838982085,2.318068391,1.490786612,1.207644823,1.727974242,1.225797286,0.810931717,0.631337262,0.631337262,0.105277946,0.766544952,1.207644823,3.64531021,3.175145602,2.751666169,2.557155175,2.557155175,2.001678932,1.006295702,0.536312849,1.894305798,1.413681686,1.08460057,0.948216627,0.948216627,0.453857755,0.266349195,0.536312849,0,0,0,1,1,5,0,0,1,0,0,0,0,0,0,0,0,0,0,1.570149549,0.288675135,0.612372436,0.204124145,1.394337567,0.25,0.433012702,0.144337567,2.29489442,1.717544151,0.816496581,1.760362971,1.260362971,0.577350269,6.78445705,3.481380475,3.675321265,2.090770275,0.612372436,0,0,0,0.848057131,0.497340068,0.367532126,0.261346284,0.204124145,0,0,0,6.577350269,3.116025404,3.221687836,1.616025404,0.433012702,0,0,0,0.822168784,0.445146486,0.322168784,0.202003175,0.144337567,0,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,43,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,2,0,1,0,0,0,0,0,0,0,0,5,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.622685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.285069444,0,0,0.730208333,0.580555556,0,0.285069444,0,0,0,0,0,0,0,0,10.92418981,0,0,0,2.166666667,0,0,0,0,1.456018519,0,0,0.369791667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.456018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.285069444,0,0,0.243402778,0.290277778,0,0.285069444,0,0,0,0,0,0,0,0,2.083912037,0,0,0,2.166666667,0,0,0,0,1.456018519,0,0,0.369791667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.285069444,0,0,0.243402778,0.290277778,0,0.285069444,0,0,0,0,0,0,0,0,2.224537037,0,0,0,2.166666667,0,0,0,0,1.456018519,0,0,0.369791667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.91666667,1.864583333,0.290277778,2.224537037,0.013888889,0.369791667,5.211217014,0.880208333,0.224537037,2.181712963,0.880208333,0.224537037,2.181712963,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.625,0.125,0.125,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,8.66385,1.08298,9.87351,1.20965,0.15121,2.89443,0.3618,3.48137,0.58695,0.07337,0.43263,0.05408,0.43263,0.05408,0,7,0,0,0,0,0,0,0.75,0.918295834,1.861702233,2.551879687,2.801879687,2.610839583,2.037719271,22.03910002,44.68085358,61.2451125,67.2451125,62.66015,48.90526249,0.200284263,0.406045247,0.556575912,0.611101985,0.569435319,0.444435319,3.666666667,2.723260268,2.033082813,1.783082813,1.974122918,2.54724323,0.200284263,0.406045247,0.556575912,0.611101985,0.569435319,0.444435319,6.73287657,15.5820524,17.1936451,17.44560135,15.1531201,8.275676353,31.59900002,20.32164859,20.44799479,19.69799479,18.55175416,15.11303229,8,2.52,2.8125,8,2,5,2.34,1.1928,3.453222023,2.251600064,2.871745887,3.494135594,0,1,0.5,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.123,0.124,0.163,3.271,10,8,3,0,0,0,0,0,0,36,2.197224577,2.63905733,2.63905733,1.945910149,0,0,0,0,0,0,3.891820298,1.333333333,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,6,0.857142857,0,2,4,1,3.5,1.555555556,0.375,0,0,0,0,0,0,0,0.5,0.155555556,0.046875,0,0,0,0,0,0,0,0.702430556,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,0,144.287877,4,3.555348061,4.262679877,5.093750201,5.837730447,6.665683718,7.418780883,8.245121966,9.000976444,9.826552511,74.90662411,2.708050201,0,4.007333185,0,5.493061443,0,7.041411664,0,8.611593867,8.847216104,112.1252005,4.671883355,14.27506506,1.784383133,0,0,0,63,8,3.752,34,1.219504076,2.113885502,3.065822133,3.660022115,4.282626678,5.452809775,0,0,0,0,75.29254335,98.14613684,108.423941,54.07112787,20.44262034,5.540403711,0,0,0,0,281.3430932,375.6062221,508.7418787,359.3143299,254.4862236,169.4937455,0,0,0,0,8.873662043,15.04842235,21.98894649,25.55644907,29.35179833,36.63450617,0,0,0,0,2.125284466,2.940117378,4.229813569,3.43594076,2.874617272,2.424389594,0,0,0,0,174.6752635,327.9074664,460.1721751,601.2351042,745.803958,1008.320781,0,0,0,0,2.841192301,4.034065169,6.518042277,6.126996956,5.733457326,5.452809775,0,0,0,0,0.440385927,0.614599794,0.891379979,0.742511116,0.638175269,0.558367721,0,0,0,0,326.6099206,142.0546879,8.723676236,62.3941245,-27.13750355,-3.5407405,264.2157961,169.1921914,12.26441674,0.839605461,0.365175349,0.02242567,0.160394539,-0.069761494,-0.009102066,127.0525803,55.25984821,3.393545344,24.27156682,-10.55659865,-1.377362377,0.13081103,0.201459561,1.817311369,2.388533084,389.0040451,0,1,0,447.866765,21.16286287,7.650966116,608.0975391,24.6596338,8.472100169,797.9250313,28.24756682,9.275144759,1.303240263,1.295616476,425.9921921,367.7699151,175.765687,1.158311691,2.423636828,2.092387436,4.113898804,3.523245238,6.833024193,0.939412028,6.53283826,5.404102755,1.218080969,14.64081626,10.50743025,14.88978242,5.332549026,14.88415573,8.116607205,5.841798631,3.710614121,0.020844439,0.061538516,4.79E-20,7.18E-60,2.08E-121,1.16E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0.548259358,5.390718223,0.096205252,8.665776788,2.419051481,1.067115634,1.061103762,2.333316211,0.72164778,0.173274843,0.154539672,1.47E-04,4.33E-04,3.37E-22,5.06E-62,1.46E-123,8.17E-207,8.80081178119E-312,0,0,0,0,0,0,0,0,0,0,0,0,1.769839499,5.391612752,0.314528921,9.211491088,3.524641627,3.457059083,1.777068459,3.671747864,1.489715953,0.768223931,0.60223668,0.001529864,0.004516579,3.51E-21,5.27E-61,1.53E-122,8.52E-206,9.171124422152E-311,0,0,0,0,0,0,0,0,0,0,0,0,6.166466628,5.402633303,1.145624051,14.03661854,9.819313826,13.8908979,5.015891924,13.68298191,7.40161008,5.295917128,3.394505187,0.01857202,0.05482971,4.27E-20,6.40E-60,1.85E-121,1.03E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,2.608415969,5.392772421,0.467570928,9.786207242,4.445541209,5.225818701,2.314854131,4.953810508,2.237107891,1.343542139,0.992162141,0.003323069,0.009810613,7.63E-21,1.15E-60,3.31E-122,1.85E-205,1.99209077513435E-310,0,0,0,0,0,0,0,0,0,0,0,0,7.889347508,5.410281569,1.490644246,17.14858524,13.27429776,18.76154835,6.567620375,19.82299683,11.0617224,8.088741071,4.992758804,0.030399655,0.089748143,6.98E-20,1.05E-59,3.03E-121,1.69E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,3.758101243,4.474818122,0.592228153,10.75499917,5.849594458,7.244196817,2.880414883,7.067373652,3.392950161,2.174625827,1.547693568,0.005995517,0.017700414,1.38E-20,2.07E-60,5.98E-122,3.34E-205,3.59415172694184E-310,0,0,0,0,0,0,0,0,0,0,0,0,3.694457257,1.760654424,0.998219189,0.57248843,0.272828786,0.503043108,0.564906109,0.372890396,6.45333087,11.95005967,24.89646948,0.358732645,1.440839614,2.757746341,1.044226177,0.524078538,0.637474294,0.241380918,0.277952365,0.197337402,0.102783196,4.326051055,4.872243116,10.70748886,0.456211441,0.578072963,3.129561909,1.328983825,0.712391814,0.60522137,0.257010225,0.359189699,0.320686787,0.189918474,5.170937549,7.335368641,15.46924145,0.407832056,0.86979496,3.67124663,1.742937983,0.986480802,0.573572651,0.272305748,0.496644736,0.553526136,0.36417208,6.400665415,11.73974438,24.45265895,0.360358976,1.414342951,3.295391618,1.455815824,0.796330793,0.594027743,0.262425559,0.398856798,0.385287311,0.237310191,5.547538234,8.581016049,17.94893793,0.391041615,1.021454301,3.767129384,1.816114019,1.034968943,0.569206485,0.274411567,0.523347374,0.601280312,0.400851955,6.618212347,12.62002001,26.31901015,0.353809727,1.52547964,3.675994336,1.744909072,0.987311098,0.573637841,0.27229255,0.49787047,0.55473643,0.364785366,6.408214506,11.76639396,24.50749421,0.360456762,1.417392266 +UMLRON0300,L,"3,4,4-trimethyl-2-pentene",C/C=C(\C)/C(C)(C)C,5357254,RON from [9],UML,"[1], [9]",C8H16,PubChem,,103,0,1.0596,1.12275216,37.8485,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1311.595663,1068.533261,821.401732,651.821691,475.300562,160.526016,18.289152,3885.475125,4800.404174,6060.218294,5837.148039,4567.504057,3625.161861,2981.770088,1843.095563,559.5073998,167.819552,166.665724,297.509884,364.247924,332.959504,230.961324,228.941768,186.188544,120.932352,29.42500648,37.33900896,51.13810539,52.90245447,42.75933311,33.07692103,28.72583972,20.03172529,8.003032287,3973.037281,3337.521256,6596.59581,8466.633609,8071.242236,5387.395856,5540.904465,4611.235353,3328.517736,42.27777778,49.58333333,74,87.83333333,71.66666667,50.83333333,48,39,18,48.76541633,52.3287937,31.22846817,20.54871656,17.11253608,19.75217245,14.40304733,5.945408,1.016064,161.8947969,208.713225,144.2909118,112.2528469,95.15633452,109.8533897,90.35666933,68.26279863,31.08374443,6.992481333,7.246335826,7.083568667,7.004767769,6.936656333,6.998828,6.937629333,6.895872,6.718464,1.226041937,1.623435172,1.217573938,1.017354894,0.89081944,1.00233094,0.870479992,0.741915752,0.444612905,165.54322,145.1096198,157.061805,162.8198771,168.1508799,163.2544199,167.9061959,170.7864946,184.917652,1.761574074,2.155797101,1.761904762,1.689102564,1.493055556,1.54040404,1.454545455,1.444444444,1,0.046855371,-0.006987677,-0.009410713,-0.011124572,-0.002398722,3.01E-05,0.004244597,-0.007515238,0.009734567,645.6853813,-53.80711511,-121.066009,-188.3249029,80.71067267,-121.066009,-40.35533633,-121.066009,242.132018,1200.679538,-100.0566282,-225.1274134,-350.1981987,150.0849423,-225.1274134,-75.04247115,-225.1274134,450.2548269,0.126485333,-0.010540444,-0.023716,-0.036891556,0.015810667,-0.023716,-0.007905333,-0.023716,0.047432,5.367596186,-0.447299682,-1.006424285,-1.565548888,0.670949523,-1.006424285,-0.335474762,-1.006424285,2.01284857,29.15686767,-2.429738973,-5.466912688,-8.504086404,3.644608459,-5.466912688,-1.822304229,-5.466912688,10.93382538,3.939814815,-1.305748457,0.58912037,-1.200617284,-0.164351852,-0.722800926,0.867476852,-1.286458333,1.253472222,0.001952307,-3.04E-04,-2.24E-04,-2.14E-04,-5.00E-05,9.11E-07,1.29E-04,-2.78E-04,5.41E-04,26.90355756,-2.339439787,-2.882524024,-3.621632748,1.681472347,-3.668666939,-1.22288898,-4.483926259,13.45177878,50.0283141,-4.350288182,-5.36017651,-6.734580744,3.126769631,-6.822042831,-2.274014277,-8.33805235,25.01415705,0.005270222,-4.58E-04,-5.65E-04,-7.09E-04,3.29E-04,-7.19E-04,-2.40E-04,-8.78E-04,0.002635111,0.223649841,-0.019447812,-0.023962483,-0.030106709,0.013978115,-0.030497706,-0.010165902,-0.037274974,0.111824921,1.214869486,-0.105640825,-0.130164588,-0.163540123,0.075929343,-0.165664021,-0.05522134,-0.202478248,0.607434743,0.164158951,-0.056771672,0.014026675,-0.023088794,-0.003423997,-0.021903058,0.026287177,-0.047646605,0.069637346,-0.155616935,-0.114769132,-0.109580131,-0.025597087,4.67E-04,0.065883157,-0.142570882,0.277010346,-0.086956522,-0.107142857,-0.134615385,0.0625,-0.136363636,-0.045454545,-0.166666667,0.5,-0.086956522,-0.107142857,-0.134615385,0.0625,-0.136363636,-0.045454545,-0.166666667,0.5,-0.086956522,-0.107142857,-0.134615385,0.0625,-0.136363636,-0.045454545,-0.166666667,0.5,-0.086956522,-0.107142857,-0.134615385,0.0625,-0.136363636,-0.045454545,-0.166666667,0.5,-0.086956522,-0.107142857,-0.134615385,0.0625,-0.136363636,-0.045454545,-0.166666667,0.5,-0.345833546,0.085445694,-0.14064901,-0.020857814,-0.133425916,0.160132464,-0.290246769,0.424206816,1.481931707,1.154866055,1.270692602,1.097814821,0.966844837,0.640340418,0.800061662,7.17E-05,1.5,1.232142857,1.119591346,0.80859375,1.110795455,0.914772727,0.958333333,0,1.5,1.232142857,1.119591346,0.80859375,1.110795455,0.914772727,0.958333333,0,1.5,1.232142857,1.119591346,0.80859375,1.110795455,0.914772727,0.958333333,0,1.5,1.232142857,1.119591346,0.80859375,1.110795455,0.914772727,0.958333333,0,1.5,1.232142857,1.119591346,0.80859375,1.110795455,0.914772727,0.958333333,0,1.769682726,0.901544402,1.270790021,0.927364865,0.965601966,0.604422604,1.297297297,0,37.09149965,18.54574982,28.95442261,37.09149965,4.636437456,18.54574985,-7.11E-15,0.096821184,0.012102648,-1.867911569,70.72803654,8.841004568,3.407073641,37.09149965,18.54574982,28.95442261,37.09149965,4.636437456,18.54574985,-7.11E-15,0.096821184,0.012102648,-1.867911569,70.72803654,8.841004568,3.407073641,37.09149965,18.54574982,28.95442261,37.09149965,4.636437456,18.54574985,-7.11E-15,0.096821184,0.012102648,-1.867911569,70.72803654,8.841004568,3.407073641,37.09149965,18.54574982,28.95442261,37.09149965,4.636437456,18.54574985,-7.11E-15,0.096821184,0.012102648,-1.867911569,70.72803654,8.841004568,3.407073641,37.09149965,18.54574982,28.95442261,37.09149965,4.636437456,18.54574985,-7.11E-15,0.096821184,0.012102648,-1.867911569,70.72803654,8.841004568,3.407073641,37.09149965,18.54574982,28.95442261,37.09149965,4.636437456,18.54574985,-7.11E-15,0.096821184,0.012102648,-1.867911569,70.72803654,8.841004568,3.407073641,43.18662854,21.48741149,33.39890947,43.02777438,5.378471797,21.4874115,-0.211805556,0.114946229,0.014368279,-1.730632668,44.28886351,5.536107939,3.032586606,0,11.89,12.11011416,-0.15495052,0.067269581,5.169181941,7.7384131,7,23,22,22,6,1,1,0,0,1,17.491312,3.557931948,3.215626508,2.757793378,2.333552793,2.103665929,1.434261437,1.13819786,0.703891815,1.905494399,1.732688804,1.38039848,1.249629723,0.98514962,0.642837259,0.437402881,0.239935937,3.579855395,3.251111141,2.801046473,2.405454588,2.170503705,1.532875831,1.248992929,0.843968245,1.851644675,1.658927954,1.293476445,1.134540686,0.872169478,0.498360474,0.286245753,0.071131628,3.678806976,3.40667277,2.990605708,2.704236987,2.453861513,1.938334766,1.692679144,1.386065256,1.699071004,1.437536405,1.028056381,0.76031856,0.507850768,0.013103715,0.227094845,0.518926281,3.596141152,3.277245194,2.832925839,2.457539916,2.21928824,1.604198672,1.328320651,0.943086542,1.817862235,1.61153621,1.237209358,1.058262671,0.797473648,0.401400221,0.184460032,0.043676133,3.728542862,3.481804456,3.081612082,2.838982085,2.583904049,2.117104612,1.883891039,1.61115243,1.653333987,1.367385901,0.942826128,0.631337262,0.384011185,0.159585447,0.413024629,0.740449356,3.614563434,3.273078764,2.926764837,2.591598066,2.28359558,1.664458627,1.391234133,1.074243835,1.801490145,1.595947827,1.131181397,0.917179462,0.698835067,0.311705363,0.088798639,0.190716901,0,0,0,2,0,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.333333333,0,0,0,0.288675135,0.204124145,0.144337567,0.19245009,0.136082763,0.096225045,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,6.14626437,3.436722277,2.460844421,0.976324744,0.535057239,0.288675135,0.19245009,0,0.768283046,0.490960325,0.351549203,0.195264949,0.13376431,0.096225045,0.096225045,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,6,2,0,2,0,0,0,0,0,0,0,0,3,0,2,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.508101852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.563611111,0,0,1.536388889,0.580555556,0,0.563611111,0,0,0,0,0,0,0,0,6.600185185,0,2.501388889,0,4.508101852,0,0.723657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.253472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.278541667,0,0,0.225625,0.290277778,0,0.278541667,0,0,0,0,0,0,0,0,2.199074074,0,1.234305556,0,2.253472222,0,0.723657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.285069444,0,0,0.290277778,0.290277778,0,0.285069444,0,0,0,0,0,0,0,0,2.200555556,0,1.267083333,0,2.25462963,0,0.723657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,1.791666667,0.290277778,2.25462963,0.225625,0.723657407,5.626772361,0.609675926,0.25462963,2.216574074,0.609675926,0.25462963,2.216574074,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.375,0.125,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.17167,0.89646,8.40872,1.23706,0.15463,3.25403,0.40675,3.77005,0.51602,0.0645,0.14395,0.01799,0.14395,0.01799,0,7,0,0,0,0,0,0,0.75,0.918295834,1.999218484,3.062907292,3.490601563,3.375814584,2.831015105,22.03910002,47.98124361,73.509775,83.77443751,81.01955001,67.94436251,0.200284263,0.436038132,0.668033226,0.761315182,0.73627965,0.617456545,3.666666667,2.585744017,1.522055209,1.094360938,1.209147917,1.753947396,0.200284263,0.436038132,0.668033226,0.761315182,0.73627965,0.617456545,6.73287657,15.72064472,18.97043007,19.40147106,18.02402731,15.37501851,31.59900002,20.72164002,17.22167917,16.35551406,18.37431094,18.07255677,8,5.142857143,7.2,8,2,7,2.34,1.1928,0.721124785,4.146039495,1.754410643,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,3.478,7,5,4,3,2,0,0,0,0,36,2.197224577,2.302585093,2.302585093,2.197224577,1.945910149,1.609437912,0,0,0,0,3.970291914,1.444444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,0,144.287877,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,112.1252005,4.671883355,14.66595917,1.833244896,0,0,0,79,5,4.311,28,1.215946755,2.114499011,2.917941684,3.635562545,4.872818092,5.807511068,6.809988528,7.774649382,0,0,74.76726526,75.51624541,70.17903159,78.28050217,111.8190051,96.57694989,43.57432826,7.89954135,0,0,279.808273,332.4504555,354.9202649,397.3576633,584.7778027,568.8487423,488.1459702,241.6652144,0,0,8.846799338,15.0412302,20.49422665,25.35743011,34.2363686,40.41921461,47.07188097,52.23370199,0,0,2.11521026,2.742266152,3.130123525,3.569235723,5.201455743,5.346332329,5.238573383,3.456709446,0,0,174.2266227,327.5587622,471.2714664,601.0145473,785.693288,965.4245737,1154.206821,1437.669909,0,0,2.701447037,3.890991659,5.085353861,5.741363871,7.78732822,8.760442876,10.11490826,7.774649382,0,0,0.438355445,0.578008474,0.667994824,0.765032698,1.111281901,1.153791651,1.152099781,0.796124097,0,0,373.1547102,176.3168405,10.17889062,84.18803996,-39.77912863,-5.490252042,288.9666702,216.0959692,15.66914266,0.815919155,0.385524512,0.022256591,0.184080845,-0.086978811,-0.012004677,170.6596014,80.63722875,4.655241829,38.50278972,-18.19269609,-2.510926968,0.120963639,0.185596294,1.81965515,1.149840376,457.3427502,0,1,0,454.9370545,21.32925349,7.691016986,615.130723,24.80182903,8.504637483,713.8574978,26.71811179,8.937248668,2.005106538,2.005106538,811.0272269,760.2260076,83.66719148,1.066823838,9.693491708,9.086309629,4.567625688,4.640276383,9.278210892,0.999495316,6.518299806,5.816393892,2.635278039,23.00701496,9.291236274,5.519219151,5.29751484,8.646657713,10.950804,2.994860365,2.712706674,6.776255767,1.294208004,6.012014212,0.536787645,3.970203632,4.35E-04,0.007306135,2.37E-23,1.48E-65,1.78E-129,4.14E-215,1.9E-322,0,0,0,0,0,0,0,0.547042814,5.809315416,0.216564082,7.157556945,0.71939085,0.393168021,0.831443782,0.999321256,3.259194127,0.257106359,0.098900953,0.457998281,0.046444579,1.163255278,0.003870614,0.08902244,3.06E-06,5.15E-05,1.67E-25,1.04E-67,1.26E-131,2.92E-217,0,0,0,0,0,0,0,0,1.765903669,5.809788565,0.702124047,8.325324301,1.393139641,1.31323666,1.728071161,1.645557274,4.257740446,0.802062851,0.401111017,1.42172313,0.190693113,1.774905838,0.039628338,0.448265359,3.19E-05,5.36E-04,1.74E-24,1.09E-66,1.31E-130,3.04E-216,1.5E-323,0,0,0,0,0,0,0,6.152743732,5.815616791,2.484322508,21.30532897,8.385839419,5.160736652,5.018801166,7.854885577,10.27776015,2.822347638,2.470856801,6.274140526,1.178748479,5.581422889,0.47833008,3.579423369,3.88E-04,0.006509635,2.11E-23,1.32E-65,1.59E-129,3.69E-215,1.7E-322,0,0,0,0,0,0,0,2.602613435,5.810401891,1.037865977,9.740827176,2.175118181,1.982326424,2.348029461,2.360785773,5.112894016,1.180278905,0.677253461,2.18007614,0.322509086,2.307045889,0.085856639,0.82343773,6.94E-05,0.001164761,3.77E-24,2.36E-66,2.84E-130,6.60E-216,3.0E-323,0,0,0,0,0,0,0,7.871789411,5.819661462,3.197472531,30.13803466,13.07569533,6.897237155,6.335488426,11.94566577,13.67233018,3.639171587,3.701084888,8.76629521,1.766066367,7.758167436,0.78256086,5.591008184,6.35E-04,0.010655312,3.45E-23,2.16E-65,2.60E-129,6.04E-215,2.7E-322,0,0,0,0,0,0,0,3.738031562,4.94736216,1.486124804,12.54126114,3.700884142,3.019411961,3.294068458,3.469588273,6.021104042,1.53818435,1.049678573,3.036068604,0.496235807,3.47480311,0.167584527,1.484213418,1.36E-04,0.002276005,7.37E-24,4.61E-66,5.55E-130,1.29E-215,5.9E-323,0,0,0,0,0,0,0,8.140840108,1.166773761,0.496710938,0.830331539,0.119006029,0.608013827,0.481436862,0.333649944,9.804324807,14.12171225,28.64405515,0.745497309,1.423100633,6.634611525,0.600281064,0.147832074,0.898667068,0.081308879,0.403641296,0.124314412,0.02867857,7.382724663,5.052180838,13.0236662,0.848000602,0.556634278,7.232781152,0.82462072,0.287103766,0.866771678,0.098821998,0.479800566,0.237097805,0.10991565,8.344505638,8.27761162,18.33449059,0.800157517,0.826814021,8.103545009,1.15269592,0.488131882,0.831612785,0.118293495,0.602448768,0.46964387,0.322088653,9.744372811,13.85918957,28.16316483,0.747419177,1.394181291,7.499435081,0.924940766,0.348835158,0.85481075,0.105427849,0.515875151,0.29962901,0.16309365,8.773211005,9.875251704,21.06816937,0.782216125,0.978597812,8.257602527,1.210859011,0.523556964,0.82641986,0.121182623,0.625602485,0.519337276,0.371154588,9.992018502,14.95607141,30.18302732,0.739629789,1.516094349,8.110335872,1.15443989,0.488131574,0.831581352,0.118368795,0.603464831,0.470964205,0.322003083,9.752907337,13.88532483,28.20855697,0.747372029,1.396432119 +UMLRON0301,L,2-methyl-3-heptene,CCC/C=C/C(C)C,5357255,(trans) reported,UML,[1],C8H16,PubChem,,94.4,0,0.25,0.0625,32.391,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,996.821117,816.321412,629.639643,458.113154,278.543833,84.835296,9.144576,3399.790734,4147.41404,4921.543769,4412.085335,3457.856117,2711.614749,1974.971743,1061.424631,279.7536999,146.842108,144.889944,254.75666,299.367184,230.162988,188.231816,166.056868,123.32736,60.466176,25.74688067,32.32302034,42.44399096,40.53626858,31.73905822,25.38923089,19.70431086,12.01662072,4.001516144,3476.407621,2904.481805,5666.926698,7146.653976,5450.986064,4463.193657,4061.94931,3137.747111,1664.258868,36.75,43.25,63,67.25,51.75,40.5,34,24,9,48.76541633,51.7541979,27.68947547,18.98421888,19.07998918,16.96715385,11.60599304,4.713072,1.016064,161.8947969,207.370702,136.7095491,102.6066357,104.7835187,100.4301759,82.29048929,58.96803508,31.08374443,6.992481333,7.2444972,7.076573889,6.962027535,6.974636,6.971548741,6.919036167,6.85152,6.718464,1.226041937,1.616151017,1.178999749,0.942703921,0.961789643,0.940341885,0.821012953,0.66759004,0.444612905,165.54322,145.2240902,157.4146305,166.2012552,165.1813959,165.3034688,169.2478879,174.3192839,184.917652,1.75,2.1625,1.75,1.563953488,1.568181818,1.5,1.416666667,1.333333333,1,0.04378992,-0.00432406,-0.018952206,-1.71E-04,-0.003470449,-8.67E-04,0.00196673,-8.91E-04,0.004814006,564.9747087,-53.80711511,-201.7766817,13.45177878,-40.35533633,-80.71067267,-40.35533633,-2.74E-13,121.066009,1050.594596,-100.0566282,-375.2123557,25.01415705,-75.04247115,-150.0849423,-75.04247115,8.53E-14,225.1274134,0.110674667,-0.010540444,-0.039526667,0.002635111,-0.007905333,-0.015810667,-0.007905333,-6.81E-16,0.023716,4.696646663,-0.447299682,-1.677373808,0.111824921,-0.335474762,-0.670949523,-0.335474762,-3.25E-15,1.006424285,25.51225921,-2.429738973,-9.111521147,0.607434743,-1.822304229,-3.644608459,-1.822304229,-8.66E-15,5.466912688,3.30952381,-0.616213152,-0.816326531,0.068594104,-0.43877551,-0.421768707,0.289115646,-0.336734694,0.617346939,0.002085234,-2.16E-04,-5.26E-04,-3.97E-06,-1.05E-04,-3.21E-05,8.19E-05,-4.95E-05,5.35E-04,26.90355756,-2.690355756,-5.604907824,0.312832065,-1.22288898,-2.989284173,-1.681472347,-1.52E-14,13.45177878,50.0283141,-5.00283141,-10.42256544,0.581724583,-2.274014277,-5.558701566,-3.126769631,4.74E-15,25.01415705,0.005270222,-5.27E-04,-0.001097963,6.13E-05,-2.40E-04,-5.86E-04,-3.29E-04,-3.78E-17,0.002635111,0.223649841,-0.022364984,-0.046593717,0.00260058,-0.010165902,-0.024849982,-0.013978115,-1.80E-16,0.111824921,1.214869486,-0.121486949,-0.25309781,0.014126389,-0.05522134,-0.134985498,-0.075929343,-4.81E-16,0.607434743,0.157596372,-0.030810658,-0.022675737,0.001595212,-0.013296228,-0.015621063,0.012046485,-0.018707483,0.068594104,-0.103682831,-0.252465715,-0.001905311,-0.050433247,-0.015405572,0.039298749,-0.023732655,0.256512905,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,-5.65E-16,0.5,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,9.47E-17,0.5,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,-7.18E-15,0.5,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,-8.07E-16,0.5,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,-3.96E-16,0.5,-0.195503597,-0.143884892,0.010122135,-0.084368869,-0.099120703,0.076438849,-0.118705036,0.435251799,1.41336428,1.315405048,1.048229969,1.169634258,0.936844601,0.627285096,0.575361235,1.83E-05,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.586330935,1.175059952,0.966203781,1.052975801,0.923261391,0.692446043,1.007194245,0,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,33.17168758,16.51441522,26.3014442,33.06964677,4.724235253,16.51441542,-0.142857143,0.116346709,0.016620958,-1.505826475,25.42955888,3.632794125,2.265138563,0,11.89,12.11009426,-0.160379045,0.06103321,5.129862217,7.044812138,6,20,19,19,5,1,1,0,0,1,15.304898,3.512714711,3.139583825,2.695830913,2.127646664,1.603892564,1.293866965,0.750445195,0.083923071,1.881411882,1.688132795,1.36461443,1.024195326,0.737504923,0.580196965,0.260463024,0.083923071,3.536210819,3.177688002,2.74371253,2.195568475,1.695912636,1.404117954,0.886838218,0.270913902,1.824885,1.610768069,1.273564199,0.909034399,0.600543781,0.431493138,0.093362734,0.270913902,3.641919659,3.343968271,2.950852102,2.483468626,2.074126321,1.844897189,1.417618328,0.943918427,1.663488105,1.376801627,0.991273819,0.538339161,0.144047724,0.075582297,0.488946631,0.943918427,3.553648911,3.205711777,2.778854815,2.24513635,1.762410262,1.483022975,0.983553245,0.399277246,1.789305984,1.560910539,1.214285564,0.832954886,0.508909607,0.331203095,0.020172058,0.399277246,3.694803858,3.423801707,3.048807729,2.615655102,2.241467126,2.034313152,1.639142064,1.207644823,1.614766388,1.302097472,0.899047957,0.41249167,0.017322926,0.259974192,0.70662939,1.207644823,3.585030126,3.220752873,2.875375255,2.31583412,1.831438012,1.551166707,1.128381486,0.56,1.765443383,1.521948933,1.105288947,0.730438526,0.411032046,0.227901289,0.174074546,0.56,0,0,0,2,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,5.276020882,3.064043477,1.668327946,0.857710728,0.451184464,0.23570226,0.11785113,0,0.753717269,0.510673913,0.333665589,0.214427682,0.150394821,0.11785113,0.11785113,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,2,0,3,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.447916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.607013889,0,0,1.292986111,0.580555556,0,0.607013889,0,0,0,0,0,0,0,0,4.353333333,0,3.69875,0,4.447916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.211805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.225625,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.158888889,0,1.180555556,0,2.211805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.290277778,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.194444444,0,1.274305556,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.5,1.785714286,0.306319444,2.236111111,0.225625,1.180555556,4.908854167,0.319444444,0.236111111,1.6025,0.319444444,0.236111111,1.6025,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.28571,0,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.49934,0.78562,6.60412,1.10478,0.15783,2.87132,0.41019,3.41421,0.54289,0.07756,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.962815041,2.987090042,3.463280518,3.232101805,2.624632976,19.28421252,41.21911587,62.72889087,72.72889087,67.8741379,55.1172925,0.209068641,0.446874589,0.680071533,0.788485937,0.735853422,0.597550842,3.474021589,2.429502381,1.405227381,0.929036905,1.160215618,1.767684446,0.209068641,0.446874589,0.680071533,0.788485937,0.735853422,0.597550842,6.73287657,14.93125992,18.05729752,18.5372142,17.2573527,13.9508934,27.64912502,19.06805416,16.36502553,15.14260039,16.89724055,17.32556464,7,6,6,7,2,7,2.23,1.0519,0.166666667,3.838519496,0,0,5.676240019,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.207,5,4,3,2,1,0,0,0,0,28,2.079441542,2.079441542,2.079441542,1.945910149,1.609437912,1.098612289,0,0,0,0,3.713572067,1.428571429,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,0,126.9918924,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,98.10955045,4.671883355,12.83378878,1.833398397,0,0,0,56,4,3.807,22,1.211410561,2.106450707,2.886382006,3.689904143,5.043725113,5.985425106,7.225190584,8.220554693,0,0,73.50680381,66.40462893,66.85854202,89.78804091,99.8426227,81.27108351,36.37741479,8.352609684,0,0,276.4711003,311.663402,327.6617551,452.1964747,550.7351455,538.8891663,443.5881246,255.5256212,0,0,8.810654816,14.96264505,20.15455304,25.9254002,35.27664584,41.56934098,49.58719954,55.22950077,0,0,2.094876351,2.629990444,2.904261368,3.980070241,5.0230661,5.235462923,4.963666822,3.654964702,0,0,173.7721959,327.5084849,475.6183435,595.2586066,825.3370096,1001.053555,1252.826102,1520.125672,0,0,2.713354816,3.823348908,4.687015523,6.225070436,7.823058791,8.838167349,9.843177772,8.220554693,0,0,0.434324902,0.556372613,0.621141934,0.849068036,1.078138337,1.135547258,1.100094553,0.841784801,0,0,375.1678166,160.5890114,10.52277139,116.0769725,-49.68626156,-7.445178636,259.0908441,210.2752729,17.96795002,0.763708491,0.326902218,0.021420627,0.236291509,-0.10114359,-0.015155741,184.299235,78.88851504,5.169256612,57.0222079,-24.40811708,-3.657405209,0.132918988,0.206030955,1.984797174,1.587451949,491.2447891,0,1,0,394.755991,19.86846725,7.335722765,534.989339,23.12983655,8.117987456,577.1819225,24.02461077,8.326022372,2.31481498,2.31481498,681.2484983,659.6527064,37.42372153,1.032738124,18.20365454,17.62659296,4.050968836,4.649266941,9.26719961,0.993260384,5.730603857,4.942125418,2.687858202,18.73919926,8.393770915,1.602084974,4.480640001,5.661793695,10.02669382,0.093603915,1.396487314,7.044723639,1.951643516,4.751447218,0.002385714,3.696626302,7.93E-04,0.004428908,4.77E-24,9.91E-67,3.97E-131,3.07E-217,0,0,0,0,0,0,0,0,0.480937729,4.93680254,0.221595294,5.115732786,0.065707458,0.132797473,0.706239919,0.066817004,3.141726014,6.64E-04,0.07673075,0.504144842,0.044179413,1.119053793,1.69E-05,0.078908257,5.59E-06,3.12E-05,3.36E-26,6.98E-69,2.80E-133,2.16E-219,0,0,0,0,0,0,0,0,1.552506505,4.937158356,0.717957851,6.110247679,0.632984848,0.427239657,1.476362544,0.48475905,3.98148854,0.006881685,0.271059146,1.602329343,0.221429981,1.615565386,1.75E-04,0.407151432,5.82E-05,3.25E-04,3.50E-25,7.27E-68,2.91E-132,2.25E-218,0,0,0,0,0,0,0,0,5.409223058,4.941541059,2.534379783,17.27323777,7.48323599,1.510200887,4.249463239,5.0631064,9.405108292,0.083402535,1.289138294,6.560511293,1.759834731,4.442423976,0.002125699,3.330033413,7.07E-04,0.003946078,4.25E-24,8.83E-67,3.54E-131,2.73E-217,0,0,0,0,0,0,0,0,2.288104876,4.937619571,1.060789748,7.323347862,1.358712572,0.630989356,2.005120489,0.986666998,4.725899373,0.014936745,0.426746976,2.42653525,0.406084866,2.029131997,3.81E-04,0.754279982,1.26E-04,7.06E-04,7.60E-25,1.58E-67,6.33E-132,4.89E-218,0,0,0,0,0,0,0,0,6.920532299,4.94458254,3.25895324,24.88451821,12.22003309,1.944487846,5.33670918,8.169321472,12.55533552,0.136497676,1.82410302,8.932695795,2.747021947,5.994006571,0.003479005,5.218726241,0.001156739,0.006459147,6.96E-24,1.45E-66,5.79E-131,4.48E-217,0,0,0,0,0,0,0,0,3.224832455,4.453251223,1.554290324,9.463230247,2.657942006,0.85817913,2.873794961,1.885158419,5.594860161,0.029371506,0.611275364,3.472374804,0.67410649,3.004413645,7.49E-04,1.374933896,2.49E-04,0.001388906,1.50E-24,3.11E-67,1.25E-131,9.62E-218,0,0,0,0,0,0,0,0,8.239415401,0.797814353,0.373929455,0.87549421,0.084773229,0.602326532,0.61469179,0.47618233,9.411159208,9.952810257,21.82200366,0.813241316,1.693200652,6.645041133,0.301654092,0.080613294,0.945602589,0.042925978,0.391782663,0.087863543,0.022131317,7.027308519,2.564499837,9.753398015,0.918403884,0.501777523,7.278273904,0.498713779,0.197108953,0.912739616,0.062541728,0.470004376,0.240171955,0.132314251,7.974096636,5.162689381,13.85224726,0.869109425,0.842490582,8.1999431,0.785530909,0.366667773,0.876798416,0.08399476,0.596569562,0.595907803,0.457867064,9.352141782,9.7359925,21.44995462,0.815197624,1.650344429,7.560532238,0.586550968,0.249035862,0.900479397,0.069859773,0.507163474,0.332232587,0.211211571,8.396119069,6.463553397,15.96405624,0.850719096,1.050607632,8.36299266,0.836270512,0.396663841,0.871514826,0.087148486,0.620528825,0.67538432,0.535844959,9.595927013,10.64273922,23.01282372,0.807272239,1.831758104,8.209000478,0.78531685,0.36681315,0.876924053,0.083891241,0.597885472,0.595597927,0.458230209,9.361130478,9.745900271,21.47175276,0.815386079,1.651713608 +UMLRON0302,L,trans-3-heptene,CCC/C=C/CC,5357259,Sandia values from averaged from the co-optima database (source their api report) and independent api report because I don't know which one is better use sandia values cause it is averaged ,Sandia,,C7H14,PubChem,,89.8,0,1.7873,3.19444129,38.2557,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1553.727681,1190.534525,836.642692,662.912715,236.216736,27.433728,0,3885.475125,4800.404174,6510.473121,6757.329631,5033.760223,3708.814733,2624.766494,839.2610996,0,167.819552,166.665724,297.557316,368.638772,433.736464,231.360492,249.049728,181.398528,0,29.42500648,37.33900896,53.15095396,60.26069992,49.42852668,33.74585244,28.04682987,12.00454843,0,3973.037281,3337.521256,6607.529635,8116.887462,10845.00702,5355.600751,6084.723595,4992.776605,0,43.8125,51,77,101.625,87,53.25,54,27,0,48.76541633,52.3287937,36.99351621,22.89489471,13.28004273,20.08826409,6.561576,1.016064,0,161.8947969,208.713225,155.0112648,129.9486467,79.90095593,112.3883252,72.9101804,31.08374443,0,6.992481333,7.246335826,7.084698,7.089207154,6.884705778,7.010924,6.918048,6.718464,0,1.226041937,1.623435172,1.265498904,1.158859614,0.784579789,1.022601589,0.779078607,0.444612905,0,165.54322,145.1096198,157.3221342,156.0939896,172.1429685,162.2909319,169.0200999,184.917652,0,1.825520833,2.217391304,1.833333333,1.954326923,1.380952381,1.613636364,1.5,1,0,0.044844854,-0.010623564,0.012568108,-0.03788059,0.003694648,0.006918645,-0.012043942,0.014944268,0,645.6853813,-53.80711511,121.066009,-632.2336026,282.4873543,-161.4213453,-242.132018,363.198027,0,1200.679538,-100.0566282,225.1274134,-1175.665381,525.297298,-300.1698846,-450.2548269,675.3822403,0,0.126485333,-0.010540444,0.023716,-0.123850222,0.055337333,-0.031621333,-0.047432,0.071148,0,5.367596186,-0.447299682,1.006424285,-5.255771265,2.348323331,-1.341899046,-2.01284857,3.019272855,0,29.15686767,-2.429738973,5.466912688,-28.54943293,12.75612961,-7.289216918,-10.93382538,16.40073807,0,4.4140625,-2.211914063,3.408203125,-4.55859375,0.475585938,0.758789063,-2.21484375,2.135742188,0,0.001868536,-4.62E-04,2.99E-04,-7.28E-04,5.86E-05,2.10E-04,-3.35E-04,5.53E-04,0,26.90355756,-2.339439787,2.882524024,-12.15833851,4.483926259,-4.891555919,-6.725889389,13.45177878,0,50.0283141,-4.350288182,5.36017651,-22.60894964,8.33805235,-9.096057109,-12.50707852,25.01415705,0,0.005270222,-4.58E-04,5.65E-04,-0.002381735,8.78E-04,-9.58E-04,-0.001317556,0.002635111,0,0.223649841,-0.019447812,0.023962483,-0.101072524,0.037274974,-0.040663607,-0.05591246,0.111824921,0,1.214869486,-0.105640825,0.130164588,-0.549027556,0.202478248,-0.220885361,-0.303717372,0.607434743,0,0.183919271,-0.096170177,0.081147693,-0.087665264,0.007548983,0.022993608,-0.061523438,0.079101563,0,-0.247195765,0.160147162,-0.389862999,0.031385648,0.11220333,-0.179046071,0.296216688,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.522893421,0.441213654,-0.476650783,0.041045091,0.125020113,-0.334513274,0.430088496,0,1.56984367,0.841352277,1.745243851,0.900476981,0.764514218,0.884534866,6.84E-05,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.953982301,0.523388116,1.822464261,0.721112516,0.66613033,1.302654867,0,0,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,41.00316563,20.38387448,30.33126575,40.82660313,5.103325392,20.38387449,-0.235416667,0.032330668,0.004041334,-2.745391211,28.4679372,3.558492149,2.679022755,0,11.89,12.11011416,-0.149688568,0.073477273,5.289964258,8.915857025,7,23,22,22,6,1,1,0,0,1,17.491312,3.608525249,3.172678437,2.546376756,2.333552793,2.333552793,1.649162724,0.931861667,0.397227612,1.926977994,1.691768739,1.249629723,1.249629723,1.223771434,0.745845398,0.297853528,0.083923071,3.62805891,3.207399753,2.594875763,2.405454588,2.405454588,1.737001366,1.043720584,0.517676886,1.876462459,1.616534954,1.134540686,1.134540686,1.131769859,0.612241829,0.137154653,0.270913902,3.717166224,3.361600155,2.80493764,2.704236987,2.704236987,2.100801284,1.505468079,0.962613738,1.735605573,1.392521097,0.845930253,0.76031856,0.76031856,0.168462082,0.409524018,0.943918427,3.64261803,3.23308843,2.630494224,2.457539916,2.457539916,1.800657489,1.124824707,0.601515278,1.844976609,1.5683208,1.071822459,1.058262671,1.058262671,0.52294106,0.028751002,0.399277246,3.76253871,3.437026821,2.904256772,2.838982085,2.838982085,2.262897523,1.70844532,1.207644823,1.694079099,1.322382864,0.752392054,0.631337262,0.631337262,0.012477532,0.606035431,1.138355086,3.631928453,3.239444411,2.725964702,2.566711365,2.566711365,1.849610427,1.216186754,0.587961665,1.850229889,1.544114669,0.960818414,0.939592721,0.939592721,0.445183779,0.09162322,0.542372881,0,0,0,2,0,4,1,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.366025404,0.288675135,0,0,0.75,0.780330086,0.707106781,0.5,0.520220057,0.471404521,6.621320344,3.560660172,3.664213562,1.280330086,0.707106781,0.530330086,0,0,0.827665043,0.508665739,0.40713484,0.256066017,0.176776695,0.176776695,0,0,6.36180732,3.23736354,3.176642621,0.853553391,0.471404521,0.353553391,0,0,0.795225915,0.462480506,0.352960291,0.170710678,0.11785113,0.11785113,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,56,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,1,0,2,0,0,0,0,0,0,0,0,4,0,1,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.451388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.545833333,0,0,1.263888889,0.290277778,0,0.545833333,0,0,0,0,0,0,0,0,8.7775,0,1.150069444,0,4.451388889,0,0,0,0,0,0,0,0.371041667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.208333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.260763889,0,0,0.243402778,0.290277778,0,0.260763889,0,0,0,0,0,0,0,0,2.155,0,1.150069444,0,2.208333333,0,0,0,0,0,0,0,0.371041667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.243055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.285069444,0,0,0.290277778,0.290277778,0,0.285069444,0,0,0,0,0,0,0,0,2.2075,0,1.150069444,0,2.243055556,0,0,0,0,0,0,0,0.371041667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.75,1.84375,0.290277778,2.243055556,0.090277778,0.371041667,5.683507569,0.878958333,0.243055556,2.457777778,0.878958333,0.243055556,2.457777778,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.5,0,0.125,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.90228,0.98779,9.21764,1.31536,0.16442,3.06066,0.38258,3.56066,0.5,0.0625,0.35334,0.04417,0.35334,0.04417,0,7,0,0,0,0,0,0,0.75,0.918295834,1.864005463,2.427694271,2.833333333,2.781453646,2.128947396,22.03910002,44.73613111,58.26466251,68,66.7548875,51.09473751,0.200284263,0.406547592,0.52949054,0.617962161,0.606646978,0.464332564,3.666666667,2.720957038,2.15726823,1.751629167,1.803508855,2.456015105,0.200284263,0.406547592,0.52949054,0.617962161,0.606646978,0.464332564,6.73287657,14.09808847,17.06848793,16.56128655,15.9387303,12.56751084,31.59900002,23.1652494,19.67619063,20.65400989,21.80513802,17.16829583,8,3.111111111,7.2,8,2,6,2.34,1.1928,1.897366596,4.669630297,0,2.828427125,2.381101578,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.158,0.135,0.148,0.155,3.294,9,5,4,3,0,0,0,0,0,36,2.197224577,2.48490665,2.397895273,2.197224577,1.945910149,0,0,0,0,0,3.951243719,1.416666667,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,3,5,0.666666667,3,0.666666667,0.375,0.24,0,0,0,0,0,0,0.428571429,0.074074074,0.075,0.06,0,0,0,0,0,0,0.637645503,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,0,144.287877,4,3.496507561,4.110873864,4.934473933,5.579729826,6.408528791,7.065613364,7.89469085,8.556990661,9.385721231,72.43313008,2.708050201,0,3.931825633,0,5.303304908,0,6.736966958,0,8.201111644,8.467792841,112.1252005,4.671883355,14.44048295,1.805060369,0,0,0,71,5,4.154,32,1.217210781,2.117752823,2.995875407,3.605947098,4.432247711,4.722470144,5.876038102,0,0,0,75.14869748,91.05673146,74.76917843,52.09518958,96.49865781,35.46436929,5.970430778,0,0,0,280.8087496,364.2659525,407.2246913,304.7840712,508.4375776,378.0873889,182.6492666,0,0,0,8.856967766,15.08391117,21.28005908,24.88239166,31.05311399,32.83142199,39.47795045,0,0,0,2.121259223,2.89869872,3.581953088,2.945027158,4.561773173,3.949227664,2.61256237,0,0,0,174.3472337,327.4159009,464.6251106,616.3986357,721.4809634,785.3564734,1086.583169,0,0,0,2.769300262,4.12264479,5.98112353,5.123873946,7.167303675,7.487412081,5.876038102,0,0,0,0.439552267,0.607474051,0.76229944,0.639704388,0.976470086,0.864036953,0.601706302,0,0,0,327.671779,150.4488956,9.209355637,60.88458923,-27.95486154,-3.921241357,266.7871897,178.4037572,13.13059699,0.843305646,0.387199665,0.023701466,0.156694354,-0.071945447,-0.010091821,127.3189564,58.45787649,3.578353779,23.65709487,-10.86203947,-1.523623301,0.125070705,0.190985346,2.349030333,1.89796918,388.5563682,0,1,0,449.4331053,21.19983739,7.65987507,610.2642511,24.7035271,8.482150553,772.8825105,27.80076457,9.177079485,1.621927765,1.617651337,491.6242217,477.4943845,135.1001828,1.02959163,3.638960448,3.534372602,4.211898158,4.636382911,7.239471532,0.561448153,6.790289757,5.579470662,3.548042508,14.59328642,10.98152623,15.42062854,5.913733168,2.305345595,9.349345812,5.325857384,2.169223499,3.678327741,1.138125676,0.001577641,7.75E-26,9.86E-70,2.47E-135,1.19E-222,0,0,0,0,0,0,0,0,0,0,0,0,0.569865516,5.563298366,0.241012079,7.743859902,0.6559786,1.225226603,0.385318113,0.677826319,0.649802092,0.208468332,0.441530741,0.288075787,0.008470064,1.11E-05,5.46E-28,6.95E-72,1.74E-137,8.39E-225,0,0,0,0,0,0,0,0,0,0,0,0,1.839586719,5.564379159,0.815410915,8.294332048,1.772494996,3.966324623,1.138300099,0.964629336,2.185934601,0.830111665,0.55697845,0.943531274,0.084698789,1.16E-04,5.69E-27,7.24E-71,1.81E-136,8.74E-224,0,0,0,0,0,0,0,0,0,0,0,0,6.409479842,5.577695131,3.309986587,13.87410183,9.998768266,14.49623659,5.442453268,2.189646056,8.731992883,4.862957683,1.979537916,3.457842676,1.014362197,0.00140565,6.91E-26,8.79E-70,2.20E-135,1.06E-222,0,0,0,0,0,0,0,0,0,0,0,0,2.711210519,5.565780348,1.239598792,8.923896325,2.83324086,5.894466458,1.766688012,1.174993299,3.311592469,1.382425474,0.706662603,1.404338481,0.182859525,2.52E-04,1.24E-26,1.57E-70,3.93E-136,1.90E-223,0,0,0,0,0,0,0,0,0,0,0,0,8.200257467,5.586936501,4.469879702,17.59658036,15.01835669,18.90609255,7.809493875,2.751968349,11.73137932,7.209645274,2.96682582,4.509372853,1.658368018,0.002300841,1.13E-25,1.44E-69,3.60E-135,1.74E-222,0,0,0,0,0,0,0,0,0,0,0,0,3.861171779,4.440066355,1.760617334,10.71060435,4.198496037,8.401564316,2.717921618,1.389916258,4.384402428,2.220176743,1.016955257,2.085193063,0.336538279,4.64E-04,2.28E-26,2.90E-70,7.26E-136,3.50E-223,0,0,0,0,0,0,0,0,0,0,0,0,4.832628966,1.152678746,1.023593218,0.689498826,0.164459272,0.502864911,0.445086687,0.378575301,7.00890093,11.69698908,24.40778399,0.53424824,1.326526899,3.718957342,0.679975366,0.53935851,0.753085871,0.137694465,0.298772653,0.155976072,0.10511206,4.938291219,4.901401174,11.20362186,0.629628806,0.559860785,4.16103677,0.867952599,0.731680819,0.722318174,0.150668684,0.373444756,0.253442309,0.193437565,5.760670187,7.291197734,15.69439369,0.583477261,0.82032463,4.805036313,1.140997223,1.011604931,0.690613106,0.163992025,0.497167713,0.436187372,0.36975951,6.957638468,11.49756994,24.00136592,0.535919659,1.303114595,4.358197439,0.951634115,0.817406787,0.711282505,0.155312077,0.409439492,0.304285979,0.241420395,6.127238341,8.487701715,18.00506062,0.566923758,0.955145867,4.919019887,1.189244783,1.061125344,0.686114143,0.165878098,0.520913101,0.473514984,0.406846751,7.169390014,12.33155319,25.70844023,0.529171215,1.401274835,4.80847599,1.142728083,1.01284708,0.69047109,0.164089559,0.497900048,0.437564921,0.370668122,6.964051154,11.52244022,24.05186381,0.535706635,1.306133091 +UMLRON0303,L,"cis-2,2-dimethyl-3-hexene",CC/C=C\C(C)(C)C,5357260,Sandia values from independent api report ,Sandia,,C8H16,PubChem,,100.7,0,1.7873,3.19444129,38.2557,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1553.727681,1190.534525,836.642692,662.912715,236.216736,27.433728,0,3885.475125,4800.404174,6510.473121,6757.329631,5033.760223,3708.814733,2624.766494,839.2610996,0,167.819552,166.665724,297.557316,368.638772,433.736464,231.360492,249.049728,181.398528,0,29.42500648,37.33900896,53.15095396,60.26069992,49.42852668,33.74585244,28.04682987,12.00454843,0,3973.037281,3337.521256,6607.529635,8116.887462,10845.00702,5355.600751,6084.723595,4992.776605,0,43.8125,51,77,101.625,87,53.25,54,27,0,48.76541633,52.3287937,36.99351621,22.89489471,13.28004273,20.08826409,6.561576,1.016064,0,161.8947969,208.713225,155.0112648,129.9486467,79.90095593,112.3883252,72.9101804,31.08374443,0,6.992481333,7.246335826,7.084698,7.089207154,6.884705778,7.010924,6.918048,6.718464,0,1.226041937,1.623435172,1.265498904,1.158859614,0.784579789,1.022601589,0.779078607,0.444612905,0,165.54322,145.1096198,157.3221342,156.0939896,172.1429685,162.2909319,169.0200999,184.917652,0,1.825520833,2.217391304,1.833333333,1.954326923,1.380952381,1.613636364,1.5,1,0,0.044844854,-0.010623564,0.012568108,-0.03788059,0.003694648,0.006918645,-0.012043942,0.014944268,0,645.6853813,-53.80711511,121.066009,-632.2336026,282.4873543,-161.4213453,-242.132018,363.198027,0,1200.679538,-100.0566282,225.1274134,-1175.665381,525.297298,-300.1698846,-450.2548269,675.3822403,0,0.126485333,-0.010540444,0.023716,-0.123850222,0.055337333,-0.031621333,-0.047432,0.071148,0,5.367596186,-0.447299682,1.006424285,-5.255771265,2.348323331,-1.341899046,-2.01284857,3.019272855,0,29.15686767,-2.429738973,5.466912688,-28.54943293,12.75612961,-7.289216918,-10.93382538,16.40073807,0,4.4140625,-2.211914063,3.408203125,-4.55859375,0.475585938,0.758789063,-2.21484375,2.135742188,0,0.001868536,-4.62E-04,2.99E-04,-7.28E-04,5.86E-05,2.10E-04,-3.35E-04,5.53E-04,0,26.90355756,-2.339439787,2.882524024,-12.15833851,4.483926259,-4.891555919,-6.725889389,13.45177878,0,50.0283141,-4.350288182,5.36017651,-22.60894964,8.33805235,-9.096057109,-12.50707852,25.01415705,0,0.005270222,-4.58E-04,5.65E-04,-0.002381735,8.78E-04,-9.58E-04,-0.001317556,0.002635111,0,0.223649841,-0.019447812,0.023962483,-0.101072524,0.037274974,-0.040663607,-0.05591246,0.111824921,0,1.214869486,-0.105640825,0.130164588,-0.549027556,0.202478248,-0.220885361,-0.303717372,0.607434743,0,0.183919271,-0.096170177,0.081147693,-0.087665264,0.007548983,0.022993608,-0.061523438,0.079101563,0,-0.247195765,0.160147162,-0.389862999,0.031385648,0.11220333,-0.179046071,0.296216688,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.522893421,0.441213654,-0.476650783,0.041045091,0.125020113,-0.334513274,0.430088496,0,1.56984367,0.841352277,1.745243851,0.900476981,0.764514218,0.884534866,6.84E-05,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.953982301,0.523388116,1.822464261,0.721112516,0.66613033,1.302654867,0,0,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,41.00316563,20.38387448,30.33126575,40.82660313,5.103325392,20.38387449,-0.235416667,0.032330668,0.004041334,-2.745391211,28.4679372,3.558492149,2.679022755,0,11.89,12.11011416,-0.149688568,0.073477273,5.289964258,8.915857025,7,23,22,22,6,1,1,0,0,1,17.491312,3.608525249,3.172678437,2.546376756,2.333552793,2.333552793,1.649162724,0.931861667,0.397227612,1.926977994,1.691768739,1.249629723,1.249629723,1.223771434,0.745845398,0.297853528,0.083923071,3.62805891,3.207399753,2.594875763,2.405454588,2.405454588,1.737001366,1.043720584,0.517676886,1.876462459,1.616534954,1.134540686,1.134540686,1.131769859,0.612241829,0.137154653,0.270913902,3.717166224,3.361600155,2.80493764,2.704236987,2.704236987,2.100801284,1.505468079,0.962613738,1.735605573,1.392521097,0.845930253,0.76031856,0.76031856,0.168462082,0.409524018,0.943918427,3.64261803,3.23308843,2.630494224,2.457539916,2.457539916,1.800657489,1.124824707,0.601515278,1.844976609,1.5683208,1.071822459,1.058262671,1.058262671,0.52294106,0.028751002,0.399277246,3.76253871,3.437026821,2.904256772,2.838982085,2.838982085,2.262897523,1.70844532,1.207644823,1.694079099,1.322382864,0.752392054,0.631337262,0.631337262,0.012477532,0.606035431,1.138355086,3.631928453,3.239444411,2.725964702,2.566711365,2.566711365,1.849610427,1.216186754,0.587961665,1.850229889,1.544114669,0.960818414,0.939592721,0.939592721,0.445183779,0.09162322,0.542372881,0,0,0,2,0,4,1,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.366025404,0.288675135,0,0,0.75,0.780330086,0.707106781,0.5,0.520220057,0.471404521,6.621320344,3.560660172,3.664213562,1.280330086,0.707106781,0.530330086,0,0,0.827665043,0.508665739,0.40713484,0.256066017,0.176776695,0.176776695,0,0,6.36180732,3.23736354,3.176642621,0.853553391,0.471404521,0.353553391,0,0,0.795225915,0.462480506,0.352960291,0.170710678,0.11785113,0.11785113,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,56,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,1,0,2,0,0,0,0,0,0,0,0,4,0,1,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.451388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.545833333,0,0,1.263888889,0.290277778,0,0.545833333,0,0,0,0,0,0,0,0,8.7775,0,1.150069444,0,4.451388889,0,0,0,0,0,0,0,0.371041667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.208333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.260763889,0,0,0.243402778,0.290277778,0,0.260763889,0,0,0,0,0,0,0,0,2.155,0,1.150069444,0,2.208333333,0,0,0,0,0,0,0,0.371041667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.243055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.285069444,0,0,0.290277778,0.290277778,0,0.285069444,0,0,0,0,0,0,0,0,2.2075,0,1.150069444,0,2.243055556,0,0,0,0,0,0,0,0.371041667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.75,1.84375,0.290277778,2.243055556,0.090277778,0.371041667,5.683507569,0.878958333,0.243055556,2.457777778,0.878958333,0.243055556,2.457777778,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.5,0,0.125,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.90228,0.98779,9.21764,1.31536,0.16442,3.06066,0.38258,3.56066,0.5,0.0625,0.35334,0.04417,0.35334,0.04417,0,7,0,0,0,0,0,0,0.75,0.918295834,1.864005463,2.427694271,2.833333333,2.781453646,2.128947396,22.03910002,44.73613111,58.26466251,68,66.7548875,51.09473751,0.200284263,0.406547592,0.52949054,0.617962161,0.606646978,0.464332564,3.666666667,2.720957038,2.15726823,1.751629167,1.803508855,2.456015105,0.200284263,0.406547592,0.52949054,0.617962161,0.606646978,0.464332564,6.73287657,14.09808847,17.06848793,16.56128655,15.9387303,12.56751084,31.59900002,23.1652494,19.67619063,20.65400989,21.80513802,17.16829583,8,3.111111111,7.2,8,2,6,2.34,1.1928,1.897366596,4.669630297,0,2.828427125,2.381101578,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.158,0.135,0.148,0.155,3.294,9,5,4,3,0,0,0,0,0,36,2.197224577,2.48490665,2.397895273,2.197224577,1.945910149,0,0,0,0,0,3.951243719,1.416666667,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,3,5,0.666666667,3,0.666666667,0.375,0.24,0,0,0,0,0,0,0.428571429,0.074074074,0.075,0.06,0,0,0,0,0,0,0.637645503,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,0,144.287877,4,3.496507561,4.110873864,4.934473933,5.579729826,6.408528791,7.065613364,7.89469085,8.556990661,9.385721231,72.43313008,2.708050201,0,3.931825633,0,5.303304908,0,6.736966958,0,8.201111644,8.467792841,112.1252005,4.671883355,14.44048295,1.805060369,0,0,0,71,5,4.154,32,1.217945032,2.118309109,2.988534059,3.586385076,4.70202284,5.615572394,6.231474973,0,0,0,75.0527386,90.47379026,75.65693944,58.83221103,108.4286031,38.59879144,6.331577387,0,0,0,280.6480202,362.8792519,407.3428702,320.9540484,576.734492,422.6450593,193.6975755,0,0,0,8.861858398,15.08552538,21.22260821,24.77882664,33.1087118,38.91184648,41.86594028,0,0,0,2.120747679,2.89117698,3.574067936,3.031052843,5.128492109,4.480627572,2.770594189,0,0,0,174.480552,327.6558426,463.9835018,610.9274919,752.3009265,944.1226872,1152.309721,0,0,0,2.769668515,4.116254506,5.948408572,5.140566243,7.940429984,8.581304907,6.231474973,0,0,0,0.439472628,0.606029277,0.760391145,0.65608669,1.095096501,0.983119407,0.638103037,0,0,0,360.8990955,165.7050556,9.671835058,103.2459227,-47.40486076,-5.767889906,257.6531727,213.1099164,15.43972496,0.777556758,0.357011385,0.020837959,0.222443242,-0.102133727,-0.012426913,167.5095172,76.91117605,4.489134059,47.92108069,-22.00272996,-2.677137365,0.125070705,0.190985346,2.017011911,1.045084295,464.1450182,0,1,0,451.2138043,21.24179381,7.669978136,611.3979928,24.72646341,8.487399984,757.7676916,27.52758056,9.116861591,1.744369847,1.744369847,570.7572562,559.9221655,128.8573202,1.019351066,4.429373939,4.345287985,4.399293951,4.627870394,8.068049582,0.743361178,6.513838744,5.59877393,1.846724123,20.65423845,7.809247666,11.29530975,4.995005184,9.700033169,10.00412733,5.80687174,3.972450907,5.922452309,0.37136852,0.170796499,0.62934571,7.89E-09,1.91E-38,8.89E-90,7.99E-163,1.39E-257,0,0,0,0,0,0,0,0,0,0,0.546667803,5.58984018,0.149843149,9.045089442,1.219210002,0.809220379,0.886065669,2.081637867,2.291570227,0.504732883,0.159401969,0.244365944,0.028623406,0.001203188,0.004432533,5.55E-11,1.34E-40,6.26E-92,5.63E-165,9.76E-260,0,0,0,0,0,0,0,0,0,0,1.764694607,5.590437302,0.487098582,9.960603323,1.889918179,2.701679287,1.6711555,2.780540155,3.236683683,1.565454108,0.626312812,0.95193601,0.094075486,0.01253615,0.046190414,5.79E-10,1.40E-39,6.52E-91,5.86E-164,1.02E-258,0,0,0,0,0,0,0,0,0,0,6.148532815,5.597793136,1.739618001,19.4291007,7.167209029,10.56563336,4.724485511,8.930754251,9.309385695,5.474651967,3.62885092,5.415136436,0.348790597,0.152176781,0.560735697,7.03E-09,1.70E-38,7.92E-90,7.12E-163,1.23E-257,0,0,0,0,0,0,0,0,0,0,2.600831824,5.591211365,0.721320044,11.02084538,2.550599156,4.074422054,2.226019603,3.514530631,4.072292158,2.300007097,1.039297654,1.571705057,0.140345253,0.027229567,0.100331752,1.26E-09,3.04E-39,1.42E-90,1.27E-163,2.21E-258,0,0,0,0,0,0,0,0,0,0,7.866402174,5.602898002,2.246950814,25.77447323,10.45734156,14.09657873,6.018160571,12.89223129,12.82917076,7.045591492,5.369734341,7.982150506,0.456775767,0.249089813,0.917841571,1.15E-08,2.78E-38,1.30E-89,1.17E-162,2.02E-257,0,0,0,0,0,0,0,0,0,0,3.714272416,4.440028741,0.983007901,13.51864201,3.745376171,6.111100964,2.806403141,4.259087631,4.65798941,3.135417512,1.360100907,2.511522335,0.208759437,0.050243896,0.185133584,2.32E-09,5.61E-39,2.61E-90,2.35E-163,4.08E-258,0,0,0,0,0,0,0,0,0,0,5.640245403,1.207192157,0.999621857,0.718771849,0.153840068,0.54781302,0.567195281,0.372895314,7.847059417,13.65370826,28.30705297,0.578157773,1.487903615,4.467378549,0.626363248,0.526213866,0.794913486,0.111453415,0.344785608,0.152066434,0.103333232,5.619955663,5.478599304,12.57100752,0.692370229,0.600185275,4.93296835,0.857284481,0.714236154,0.758394451,0.131798898,0.419774456,0.285546237,0.190370258,6.504488985,8.364565123,17.88952824,0.637591676,0.895690951,5.611186678,1.192834316,0.987901609,0.720128647,0.153086007,0.542216765,0.553763541,0.364202418,7.791922603,13.41491931,27.81908079,0.58019297,1.460182723,5.140606608,0.960109859,0.798045426,0.745149157,0.139171329,0.455596334,0.358408756,0.237667975,6.898761893,9.804195959,20.64174863,0.617723735,1.051673065,5.731226663,1.252136573,1.036314824,0.714645478,0.156133022,0.565520716,0.610274584,0.400773374,8.01967806,14.41324136,29.86980323,0.571968217,1.576568673,5.612612093,1.193472261,0.989112001,0.720009072,0.153103553,0.54244005,0.554386362,0.365095417,7.795196355,13.43047656,27.85123653,0.580013608,1.461921828 +UMLRON0304,L,"2,2-dimethyl-3-hexene",CC/C=C/C(C)(C)C,5357261,(cis) reported; RON from [9],UML,"[1], [9]",C8H16,PubChem,,106,0,0.3502,0.12264004,35.1364,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1190.529654,1024.169165,840.535588,646.827051,450.070322,264.404617,81.787104,3885.475125,4800.404174,5835.09088,5502.536552,4641.558567,3728.011456,2721.213111,1798.067638,968.1733981,167.819552,166.665724,297.486168,362.651252,313.602448,270.87294,207.98804,145.502308,103.171968,29.42500648,37.33900896,50.13168111,50.22672885,42.7633572,35.07566706,26.0541382,17.70154074,10.682782,3973.037281,3337.521256,6591.128897,8593.814026,7452.899071,6528.696872,5049.741717,3538.991458,2582.994154,41,48.75,71.5,77.75,67,58,45,31.5,21,48.76541633,52.3287937,28.34594414,19.69556087,18.67856862,16.585309,15.00234407,12.59069605,5.4524736,161.8947969,208.713225,138.9307352,105.8180106,103.1457459,95.59003733,90.70710369,85.62226847,64.54489321,6.992481333,7.246335826,7.083004,6.974062538,6.968943289,6.94546,6.932934667,6.928681333,6.8781312,1.226041937,1.623435172,1.193611455,0.965898632,0.950296827,0.899376078,0.868471273,0.842930512,0.712185467,165.54322,145.1096198,156.9316404,165.2656544,165.6199794,167.4024839,168.3247239,168.5234028,172.1996103,1.708333333,2.119565217,1.702380952,1.495192308,1.488888889,1.487179487,1.5,1.5,1.4,0.048481871,-0.002709104,-0.024462217,-0.002909332,0.001969961,0.002709864,-0.001385018,-0.002710404,-3.63E-04,645.6853813,-53.80711511,-242.132018,-26.90355756,-40.35533633,-2.74E-13,-2.17E-13,-40.35533633,-40.35533633,1200.679538,-100.0566282,-450.2548269,-50.0283141,-75.04247115,1.42E-13,1.42E-13,-75.04247115,-75.04247115,0.126485333,-0.010540444,-0.047432,-0.005270222,-0.007905333,-7.38E-16,-7.24E-16,-0.007905333,-0.007905333,5.367596186,-0.447299682,-2.01284857,-0.223649841,-0.335474762,-2.69E-15,-2.69E-15,-0.335474762,-0.335474762,29.15686767,-2.429738973,-10.93382538,-1.214869486,-1.822304229,2.73E-14,2.73E-14,-1.822304229,-1.822304229,3.5,-0.3125,-1,-0.375,-0.1875,0.1875,0,-0.0625,-0.5625,0.002020078,-1.18E-04,-5.82E-04,-5.59E-05,4.38E-05,6.95E-05,-4.62E-05,-1.29E-04,-2.42E-05,26.90355756,-2.339439787,-5.765048048,-0.517376107,-0.896785252,-7.01E-15,-7.22E-15,-1.921682683,-2.690355756,50.0283141,-4.350288182,-10.72035302,-0.962082963,-1.66761047,3.64E-15,4.74E-15,-3.573451007,-5.00283141,0.005270222,-4.58E-04,-0.001129333,-1.01E-04,-1.76E-04,-1.89E-17,-2.41E-17,-3.76E-04,-5.27E-04,0.223649841,-0.019447812,-0.047924966,-0.004300958,-0.007454995,-6.90E-17,-8.97E-17,-0.015974989,-0.022364984,1.214869486,-0.105640825,-0.260329176,-0.023362875,-0.04049565,7.00E-16,9.10E-16,-0.086776392,-0.121486949,0.145833333,-0.013586957,-0.023809524,-0.007211538,-0.004166667,0.004807692,0,-0.00297619,-0.0375,-0.058308203,-0.28832241,-0.027696304,0.021670904,0.034396537,-0.022854204,-0.063892023,-0.011994419,-0.086956522,-0.214285714,-0.019230769,-0.033333333,-2.61E-16,-2.69E-16,-0.071428571,-0.1,-0.086956522,-0.214285714,-0.019230769,-0.033333333,7.28E-17,9.47E-17,-0.071428571,-0.1,-0.086956522,-0.214285714,-0.019230769,-0.033333333,-3.59E-15,-4.58E-15,-0.071428571,-0.1,-0.086956522,-0.214285714,-0.019230769,-0.033333333,-3.09E-16,-4.01E-16,-0.071428571,-0.1,-0.086956522,-0.214285714,-0.019230769,-0.033333333,5.76E-16,7.49E-16,-0.071428571,-0.1,-0.093167702,-0.163265306,-0.049450549,-0.028571429,0.032967033,0,-0.020408163,-0.257142857,1.384171883,1.386403607,0.982155294,0.872996103,0.858948664,1.004375454,1.026454596,0.690323846,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.153911565,0.900412088,0.876190476,0.884615385,1.013095238,1.056122449,1.314285714,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,47.14902419,23.49117876,38.74380497,47.02402419,5.878003023,23.49117876,-0.166666667,0.171637148,0.021454644,-1.409898108,43.9995647,5.499945587,3.027343793,0,11.89,12.11011416,-0.181126041,0.043400338,5.117889282,7.339208173,7,23,22,22,6,1,1,0,0,1,17.491312,3.516410379,3.260192645,2.823237318,2.344112785,1.920737629,1.494056811,1.172188343,0.765552708,1.901938035,1.72467367,1.474847659,1.164158257,0.882472781,0.674819937,0.537244778,0.264948938,3.54138316,3.291623903,2.869140784,2.405337091,1.995042692,1.591223913,1.292051298,0.900237444,1.843800879,1.65715269,1.384863832,1.057160999,0.760994059,0.53404755,0.382288668,0.098420393,3.65314551,3.429835184,3.069028381,2.666187107,2.307265261,1.988228,1.764958626,1.426151911,1.675814026,1.457393086,1.108296945,0.716211496,0.366260137,0.061177417,0.150663185,0.481037356,3.559889259,3.314785609,2.90289955,2.450078683,2.049119366,1.661310387,1.377423667,0.995868659,1.807023717,1.614042512,1.326467596,0.986753469,0.680473159,0.439587027,0.277483129,0.014673394,3.708637808,3.49702726,3.164338757,2.786888017,2.449121696,2.162581267,1.965546246,1.646282426,1.624538704,1.394834473,1.018829109,0.601637524,0.230713349,0.107394532,0.346721507,0.697172227,3.600434656,3.346254527,2.951277354,2.538830202,2.133102629,1.731107366,1.460951897,1.156437592,1.8127061,1.529787877,1.240841402,0.887362892,0.564358143,0.329985093,0.163977797,0.182051654,0,0,0,2,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.983127663,3.526038674,2.06481751,1.210046463,0.678855364,0.345522031,0.166666667,0.083333333,0.747890958,0.503719811,0.344136252,0.242009293,0.169713841,0.11517401,0.083333333,0.083333333,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,2,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.3525,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.621425737,0,0,1.188296485,0.580555556,0,0.621425737,0,0,0,0,0,0,0,0,4.307148526,0,5.340351474,0,4.3525,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.120694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.299375,0,0,0.212046485,0.290277778,0,0.299375,0,0,0,0,0,0,0,0,2.075342971,0,1.268194444,0,2.120694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.231805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.322050737,0,0,0.290277778,0.290277778,0,0.322050737,0,0,0,0,0,0,0,0,2.231805556,0,1.379305556,0,2.231805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,1.75,0.322050737,2.231805556,0.212046485,1.268194444,5.653437574,0.231805556,0.231805556,1.319297052,0.231805556,0.231805556,1.319297052,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.25,0,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,6.82804,0.85351,7.95768,1.12964,0.1412,3.31066,0.41383,3.91421,0.60355,0.07544,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,0.75,0.918295834,1.999218484,3.375814584,3.772055209,3.569773835,3.720175521,22.03910002,47.98124361,81.01955001,90.52932501,85.67457204,89.28421252,0.200284263,0.436038132,0.73627965,0.822701431,0.778582995,0.811386248,3.666666667,2.585744017,1.209147917,0.812907292,1.015188666,0.864786979,0.200284263,0.436038132,0.73627965,0.822701431,0.778582995,0.811386248,6.73287657,15.72064472,20.20180045,19.68512709,19.48126286,20.54885602,31.59900002,20.72164002,15.6149125,15.48446146,16.11929522,14.59924844,8,7,7.2,8,2,8,2.34,1.1928,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.706,6,5,4,3,2,1,0,0,0,36,2.197224577,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.098612289,0,0,0,3.891820298,1.333333333,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,144.287877,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,112.1252005,4.671883355,14.83110795,1.853888494,0,0,0,84,5,4.481,26,1.214695529,2.111945447,2.890910851,3.665440761,4.990109129,6.006152083,7.370909735,8.438665012,9.588969782,0,74.5933221,68.0718588,69.58804184,88.00655921,98.1782477,106.8737678,104.4119235,49.34964263,9.743006993,0,279.2936939,317.2677931,338.4579146,444.296818,524.2348198,603.5612564,672.0789697,569.849578,298.0610861,0,8.83738545,15.01464886,20.22071259,25.73630681,34.77855048,41.81726696,51.19503365,58.16238194,64.42314828,0,2.111803926,2.667692274,2.980061953,3.919154029,4.786001283,5.607931973,6.48699798,6.211221596,4.263379709,0,174.0666666,327.398684,473.7153923,592.6399598,826.5406417,997.6085753,1232.763991,1443.565514,1773.169778,0,2.665749658,3.716822622,4.465166697,5.853435776,7.7151763,9.449575905,11.39625294,12.11509912,9.588969782,0,0.437667648,0.563959776,0.636465528,0.836466269,1.028379031,1.208246004,1.40577741,1.36999663,0.981910506,0,400.7851485,194.2384688,11.52400639,136.6758392,-66.23924524,-8.588873489,264.1093092,260.4777141,20.11287988,0.745700912,0.361400126,0.021441568,0.254299088,-0.12324475,-0.015980459,215.4063818,104.3955993,6.193703855,73.45793156,-35.60101018,-4.616184429,0.117378848,0.187832664,1.939705421,1.724868522,537.4609877,0,1,0,457.3043075,21.38467459,7.704333915,617.5192792,24.84993519,8.515631118,685.4891933,26.18184855,8.817257771,2.666538324,2.666538324,996.2402226,972.1586574,43.03756903,1.024771229,23.14815277,22.58860524,4.408184612,5.629392626,10.25412949,0.821533897,6.527620259,5.867475719,3.030818259,25.37174629,11.08076802,2.477007622,4.345057893,7.261414028,13.36376305,1.407510802,1.688206602,6.228936953,3.695635307,4.532832518,1.358531187,0.494489396,3.736710439,4.126182414,0.003143526,0.00473425,1.38E-24,7.73E-68,8.37E-133,1.75E-219,0,0,0,0,0,0,0.547825911,5.861095794,0.25011151,6.150646592,0.08594632,0.081320369,0.924794663,0.210878502,4.284497608,0.038752761,0.067421497,0.578015035,0.135648038,2.134866204,0.049261034,0.024234891,0.181324549,0.10510286,2.22E-05,3.33E-05,9.70E-27,5.45E-70,5.89E-135,1.23E-221,0,0,0,0,0,0,1.768429422,5.861522264,0.810186976,7.521588075,0.833571466,0.344530096,1.622664554,0.943338791,5.428623927,0.177397704,0.264439507,1.723570697,0.5528721,2.603607335,0.201686951,0.089299665,0.65041277,0.498204587,2.31E-04,3.47E-04,1.01E-25,5.67E-69,6.14E-134,1.28E-220,0,0,0,0,0,0,6.161541534,5.866775313,2.857922913,23.29205625,9.878206884,2.25046441,4.135573216,6.579776716,12.5570648,1.273924522,1.541642647,5.880190445,3.368223963,4.378695412,1.237757667,0.454760796,3.428260882,3.728713546,0.002800873,0.004218131,1.23E-24,6.89E-68,7.46E-133,1.56E-219,0,0,0,0,0,0,2.606335467,5.862075069,1.19689587,9.220584951,1.791179759,0.592260348,2.101813124,1.65598496,6.424590702,0.314364032,0.439419761,2.512309757,0.931164035,2.931540052,0.340416197,0.143146627,1.048629402,0.895045525,5.01E-04,7.55E-04,2.20E-25,1.23E-68,1.33E-133,2.79E-220,0,0,0,0,0,0,7.883045004,5.8704208,3.673994945,34.09717758,16.13447953,3.406493992,5.12079733,10.06907615,16.63545002,1.958655622,2.284618717,7.523368757,5.032188779,5.111861556,1.851823197,0.654008018,4.981847109,5.769621943,0.004584306,0.006904458,2.01E-24,1.13E-67,1.22E-132,2.55E-219,0,0,0,0,0,0,3.752377172,5.403696072,1.761822792,12.16131283,3.649538423,0.943264545,2.821143349,2.710435846,8.013674395,0.520842366,0.667300578,3.939868027,1.458968663,3.83819517,0.527896526,0.248989357,1.834493632,1.670295548,0.001026758,0.001545877,4.50E-25,2.52E-68,2.73E-133,5.71E-220,0,0,0,0,0,0,9.989626745,0.791984757,0.391850503,0.894049377,0.070880874,0.546168361,0.564948546,0.499982091,11.173462,12.136412,26.41005102,0.841074066,1.611098998,8.612226636,0.299352479,0.08447679,0.957333606,0.033275969,0.406491177,0.081340489,0.023237448,8.996055904,3.330912985,12.54475777,0.936000409,0.511069113,9.15889228,0.495403,0.206555651,0.928813582,0.050239376,0.459431519,0.222347168,0.138927364,9.860850931,6.531491964,17.32955668,0.893220374,0.820706051,9.955488782,0.779825987,0.384240796,0.895313551,0.070131039,0.542454437,0.547896981,0.480751422,11.11955556,11.88849476,25.99112251,0.842970327,1.57110284,9.402737628,0.582616817,0.260971225,0.917669214,0.056861048,0.484104541,0.307095776,0.221768,10.24632567,8.084083246,19.76005967,0.876503822,1.012968316,10.09651461,0.8300396,0.415674464,0.890170257,0.073181349,0.557879845,0.619955044,0.56262668,11.34222868,12.92239652,27.74818793,0.835255385,1.740461569,9.98949972,0.779880826,0.384594012,0.895600009,0.069919545,0.546158363,0.547862503,0.481635697,11.15397456,11.93245857,26.08265866,0.843400014,1.575656563 +UMLRON0305,L,trans-2-octene,CCCCC/C=C/C,5364448,Sandia values from independent API report ,Sandia,,C8H16,PubChem,,56.3,0,1.9914,3.96567396,39.2225,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1311.595663,1090.715309,849.680164,635.736027,447.02213,154.429632,18.289152,3885.475125,4800.404174,6060.218294,6004.453783,4921.312267,3644.358584,2627.961878,1656.593096,559.5073998,167.819552,166.665724,297.509884,365.04626,374.068624,270.473772,187.832648,145.87776,120.932352,29.42500648,37.33900896,51.13810539,54.24031728,46.76487335,34.40673565,24.72029948,17.36404786,8.003032287,3973.037281,3337.521256,6596.59581,8403.043401,9117.157939,6560.491976,4494.988761,3501.729441,3328.517736,42.27777778,49.91666667,72.66666667,84.83333333,78,59.5,43,33,18,48.76541633,52.3287937,31.22846817,20.9752944,15.73481785,16.30092377,16.55637519,7.353792,1.016064,161.8947969,208.713225,144.2909118,115.4702651,91.13541236,93.44509189,97.33192139,78.88538554,31.08374443,6.992481333,7.246335826,7.083568667,7.020120385,6.927196741,6.935224923,6.956764741,6.94656,6.718464,1.226041937,1.623435172,1.217573938,1.043083025,0.866016173,0.882223991,0.915566648,0.826859422,0.444612905,165.54322,145.1096198,157.061805,161.5969885,168.8362581,168.217743,166.4810652,166.749021,184.917652,1.761574074,2.170289855,1.73015873,1.631410256,1.444444444,1.525641026,1.592592593,1.571428571,1,0.047815485,-0.003793539,-0.016469145,-0.016125073,0.011846301,7.81E-04,-0.005070786,-0.006438871,0.011362642,645.6853813,-53.80711511,-121.066009,-269.0355756,80.71067267,40.35533633,-40.35533633,-201.7766817,242.132018,1200.679538,-100.0566282,-225.1274134,-500.283141,150.0849423,75.04247115,-75.04247115,-375.2123557,450.2548269,0.126485333,-0.010540444,-0.023716,-0.052702222,0.015810667,0.007905333,-0.007905333,-0.039526667,0.047432,5.367596186,-0.447299682,-1.006424285,-2.236498411,0.670949523,0.335474762,-0.335474762,-1.677373808,2.01284857,29.15686767,-2.429738973,-5.466912688,-12.14869486,3.644608459,1.822304229,-1.822304229,-9.111521147,10.93382538,3.939814815,-0.972415123,0.09837963,-2.094135802,1.008101852,0.255208333,0.185763889,-1.704282407,1.253472222,0.001992312,-1.65E-04,-3.92E-04,-3.10E-04,2.19E-04,2.00E-05,-1.88E-04,-3.07E-04,6.31E-04,26.90355756,-2.339439787,-2.882524024,-5.173761068,1.494642086,1.034752214,-1.494642086,-9.608413413,13.45177878,50.0283141,-4.350288182,-5.36017651,-9.620829634,2.779350783,1.924165927,-2.779350783,-17.86725503,25.01415705,0.005270222,-4.58E-04,-5.65E-04,-0.001013504,2.93E-04,2.03E-04,-2.93E-04,-0.001882222,0.002635111,0.223649841,-0.019447812,-0.023962483,-0.043009585,0.012424991,0.008601917,-0.012424991,-0.079874943,0.111824921,1.214869486,-0.105640825,-0.130164588,-0.233628747,0.067492749,0.046725749,-0.067492749,-0.433881959,0.607434743,0.164158951,-0.042278918,0.002342372,-0.040271842,0.018668553,0.006543803,0.006880144,-0.081156305,0.069637346,-0.082786468,-0.196817824,-0.1556471,0.110111245,0.010047969,-0.094265814,-0.153898043,0.316846916,-0.086956522,-0.107142857,-0.192307692,0.055555556,0.038461538,-0.055555556,-0.357142857,0.5,-0.086956522,-0.107142857,-0.192307692,0.055555556,0.038461538,-0.055555556,-0.357142857,0.5,-0.086956522,-0.107142857,-0.192307692,0.055555556,0.038461538,-0.055555556,-0.357142857,0.5,-0.086956522,-0.107142857,-0.192307692,0.055555556,0.038461538,-0.055555556,-0.357142857,0.5,-0.086956522,-0.107142857,-0.192307692,0.055555556,0.038461538,-0.055555556,-0.357142857,0.5,-0.257548664,0.014268927,-0.245322245,0.113722418,0.039862605,0.041911477,-0.494376364,0.424206816,1.405529948,1.270728779,1.193444245,0.671804315,0.990572248,1.219574825,0.968463328,0.00372783,1.5,1.232142857,1.202524038,0.798611111,0.829326923,0.958333333,1.232142857,0,1.5,1.232142857,1.202524038,0.798611111,0.829326923,0.958333333,1.232142857,0,1.5,1.232142857,1.202524038,0.798611111,0.829326923,0.958333333,1.232142857,0,1.5,1.232142857,1.202524038,0.798611111,0.829326923,0.958333333,1.232142857,0,1.5,1.232142857,1.202524038,0.798611111,0.829326923,0.958333333,1.232142857,0,1.685076381,0.932432432,1.23024948,0.665165165,0.920997921,1.009009009,1.667953668,0,37.77857459,18.88928729,30.0376205,37.77857459,4.722321824,18.88928731,-7.11E-15,0.009501707,0.001187713,-3.725027091,29.00062435,3.625078044,2.693853887,37.77857459,18.88928729,30.0376205,37.77857459,4.722321824,18.88928731,-7.11E-15,0.009501707,0.001187713,-3.725027091,29.00062435,3.625078044,2.693853887,37.77857459,18.88928729,30.0376205,37.77857459,4.722321824,18.88928731,-7.11E-15,0.009501707,0.001187713,-3.725027091,29.00062435,3.625078044,2.693853887,37.77857459,18.88928729,30.0376205,37.77857459,4.722321824,18.88928731,-7.11E-15,0.009501707,0.001187713,-3.725027091,29.00062435,3.625078044,2.693853887,37.77857459,18.88928729,30.0376205,37.77857459,4.722321824,18.88928731,-7.11E-15,0.009501707,0.001187713,-3.725027091,29.00062435,3.625078044,2.693853887,37.77857459,18.88928729,30.0376205,37.77857459,4.722321824,18.88928731,-7.11E-15,0.009501707,0.001187713,-3.725027091,29.00062435,3.625078044,2.693853887,46.61194574,23.20007009,37.76926883,46.45309157,5.806636446,23.20007009,-0.211805556,0.117599999,0.0147,-1.712373004,29.03798404,3.629748006,2.694883814,0,11.89,12.11011416,-0.164847976,0.055858775,5.295742905,7.612089197,7,23,22,22,6,1,1,0,0,1,17.491312,3.537884735,3.270297271,2.695619856,2.333552793,2.115082738,1.539019573,0.985220658,0.764390009,1.913012065,1.714663046,1.393770987,1.249629723,0.985309356,0.668223227,0.3802214,0.264853266,3.562254433,3.299378168,2.745266139,2.405454588,2.181232242,1.629434946,1.107450335,0.899337048,1.856422439,1.648432526,1.298622091,1.134540686,0.873485946,0.530728928,0.221965448,0.098298621,3.671076355,3.429154864,2.961063061,2.704236987,2.460876371,2.004091209,1.590861911,1.425799674,1.693116992,1.455380774,1.00330568,0.76031856,0.514083388,0.073780005,0.322833538,0.481338846,3.5802983,3.320913039,2.781771126,2.457539916,2.229456243,1.694974555,1.194622235,0.995114965,1.820654069,1.606376738,1.236619438,1.058262671,0.799682425,0.438805402,0.114889192,0.014817519,3.725022837,3.493287171,3.063471926,2.838982085,2.589032938,2.171041103,1.796015372,1.646037705,1.64325087,1.396007479,0.906973046,0.631337262,0.392020352,0.086880707,0.523368384,0.697607366,3.588862987,3.362520199,2.820142781,2.591598066,2.314697504,1.745377727,1.253426359,1.13828091,1.841457734,1.523254911,1.167191407,0.917179462,0.699311459,0.344713897,0.02386452,0.167183136,0,0,0,2,0,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.144337567,0.288675135,0.166666667,0.096225045,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,6.14626437,3.381880722,2.540232713,1.146385863,0.596225045,0.288675135,0.19245009,0,0.768283046,0.483125817,0.362890388,0.229277173,0.149056261,0.096225045,0.096225045,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,3,0,2,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.335694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.616527778,0,0,1.193194444,0.580555556,0,0.616527778,0,0,0,0,0,0,0,0,6.576712963,0,2.567962963,0,4.335694444,0,0.852962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.113472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.296319444,0,0,0.216944444,0.290277778,0,0.296319444,0,0,0,0,0,0,0,0,2.069768519,0,1.244212963,0,2.113472222,0,0.852962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.222222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.320208333,0,0,0.290277778,0.290277778,0,0.320208333,0,0,0,0,0,0,0,0,2.253472222,0,1.32375,0,2.222222222,0,0.852962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,1.791666667,0.320208333,2.253472222,0.216944444,0.852962963,5.655401852,0.48037037,0.253472222,1.824814815,0.48037037,0.253472222,1.824814815,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.375,0.125,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.25021,0.90628,8.40872,1.15852,0.14481,3.16649,0.39581,3.77005,0.60355,0.07544,0.14395,0.01799,0.14395,0.01799,0,7,0,0,0,0,0,0,0.75,0.918295834,2.114005463,3.40726823,3.490601563,3.490601563,3.164348438,22.03910002,50.73613111,81.77443751,83.77443751,83.77443751,75.94436251,0.200284263,0.461073665,0.743139825,0.761315182,0.761315182,0.690157976,3.666666667,2.470957038,1.177694271,1.094360938,1.094360938,1.420614063,0.200284263,0.461073665,0.743139825,0.761315182,0.761315182,0.690157976,6.73287657,17.09808847,19.31748564,19.40147106,19.40147106,16.97271874,31.59900002,18.70284314,16.57092761,16.35551406,16.35551406,15.61654167,8,5.142857143,7.2,8,2,7,2.34,1.1928,0.721124785,4.146039495,1.754410643,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,3.478,7,5,4,3,2,0,0,0,0,36,2.197224577,2.302585093,2.079441542,1.945910149,1.945910149,1.609437912,0,0,0,0,3.891820298,1.333333333,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,0,144.287877,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,112.1252005,4.671883355,14.66595917,1.833244896,0,0,0,79,5,4.42,28,1.215558759,2.114243067,2.932463888,3.618433126,4.727066027,5.894020141,7.042601509,7.791312229,0,0,74.75179796,75.6783367,71.66830273,71.49891935,92.64124476,112.3946908,54.38909115,7.916471868,0,0,279.7385924,332.8101627,365.4678278,376.7808203,492.5513311,623.6481407,575.1630121,242.1831581,0,0,8.844003262,15.03995668,20.63840415,25.1939952,32.92393174,41.14749159,49.01540195,52.34565072,0,0,2.114641681,2.744103743,3.21613147,3.437071722,4.499810657,5.724734481,5.980010497,3.464117963,0,0,174.1693573,327.4850675,470.2551458,601.3672153,784.6852707,970.4184158,1166.895486,1440.751164,0,0,2.720231345,3.809285515,4.910357858,5.528613583,7.566711757,9.767596988,11.30130272,7.791312229,0,0,0.438236045,0.578356115,0.685812707,0.738654924,0.967153076,1.230436778,1.307159681,0.797830372,0,0,360.2796781,172.78874,10.72490123,102.6483984,-49.22977479,-6.70262732,257.6312797,222.0185148,17.42752855,0.778262751,0.373251805,0.023167532,0.221737249,-0.106344327,-0.014478766,166.7835784,79.98875904,4.964857895,47.51882561,-22.78984495,-3.102834373,0.118614731,0.189809763,2.39833674,5.748398409,462.9280765,0,1,0,455.2176228,21.33582955,7.692597726,615.5411225,24.81010122,8.506528421,712.9150312,26.70046874,8.933313817,2.401599767,2.401599767,804.9432994,755.8096095,83.16611923,1.065008025,9.678740656,9.087950917,4.552909013,4.702695858,9.275217197,0.972319171,6.573787565,5.70447275,3.236383279,19.54550931,10.75967378,5.300984005,5.483525911,5.916470024,10.36335857,2.397297265,4.197154932,4.828105838,1.503766642,6.376796201,0.810824021,4.053426325,5.14E-04,0.006391855,1.53E-23,7.11E-66,6.35E-130,1.09E-215,3.5E-323,0,0,0,0,0,0,0,0.551699841,5.696833906,0.235084097,6.725063588,0.991221351,0.440825551,0.937065982,0.523974913,3.175738701,0.270166886,0.103708129,0.425970436,0.046693338,1.184662876,0.006306398,0.09014097,3.62E-06,4.50E-05,1.08E-25,5.01E-68,4.47E-132,7.71E-218,0,0,0,0,0,0,0,0,1.780936332,5.697344496,0.782946247,7.627107285,1.66741235,1.424759404,1.713769188,1.039037198,4.026573056,0.64253264,0.497323541,1.209929981,0.201845365,1.846338758,0.061040359,0.455741235,3.77E-05,4.69E-04,1.13E-24,5.22E-67,4.66E-131,8.03E-217,4.9E-324,0,0,0,0,0,0,0,6.20511967,5.703634124,3.029733475,18.15398215,9.695476851,5.000573134,5.151660698,5.379157901,9.70530683,2.245203557,3.790211781,4.518064992,1.36423606,5.918085513,0.722839779,3.653939869,4.58E-04,0.005695027,1.37E-23,6.33E-66,5.66E-130,9.75E-216,3.0E-323,0,0,0,0,0,0,0,2.624768647,5.698006369,1.178267101,8.755516146,2.522866018,2.10261255,2.291883469,1.566506163,4.793639986,0.916507744,0.898750607,1.782123756,0.350594592,2.418777253,0.131121941,0.838366254,8.19E-05,0.001019004,2.45E-24,1.13E-66,1.01E-130,1.74E-216,4.9E-324,0,0,0,0,0,0,0,7.938798842,5.707999027,4.027529819,25.38653473,15.22922755,6.416535107,6.773057478,8.141140746,13.04738558,2.985266177,5.881400568,6.02208365,2.077531065,8.235122283,1.180567631,5.710644167,7.49E-04,0.009321919,2.24E-23,1.04E-65,9.26E-130,1.60E-215,4.9E-323,0,0,0,0,0,0,0,3.772732087,4.981766026,1.725058706,10.62861005,3.961267226,2.947956738,3.056336095,2.536889913,6.126017759,1.422950459,1.582910482,2.559877776,0.583111821,3.657663186,0.255001472,1.512296169,1.60E-04,0.001991189,4.78E-24,2.21E-66,1.98E-130,3.41E-216,1.0E-323,0,0,0,0,0,0,0,7.759854612,1.162044262,0.503554284,0.823287165,0.123287893,0.537075987,0.484983676,0.327112997,9.425453157,13.50995492,27.47610536,0.734930748,1.34917266,6.605106145,0.589893947,0.15304151,0.898893406,0.08027907,0.389110029,0.121879056,0.029436861,7.348041602,4.997445809,12.9417849,0.848340109,0.540425945,7.063685067,0.816583878,0.292853096,0.864257873,0.099910888,0.445016988,0.236151981,0.109316837,8.173122041,8.075852501,17.93817795,0.796386809,0.790485805,7.731261536,1.147835691,0.494925073,0.824753909,0.122448577,0.533124254,0.472956948,0.315885557,9.3740223,13.26870577,27.03480103,0.737130864,1.32196676,7.268114478,0.917904195,0.35487568,0.85097815,0.107471672,0.471151202,0.29973528,0.161231011,8.540894353,9.576451714,20.48487531,0.776467225,0.932117492,7.849373314,1.206536317,0.530559808,0.818797094,0.125858255,0.549542566,0.52364174,0.363523807,9.586469439,14.27525565,28.88642038,0.72819564,1.436708113,7.753840424,1.149517148,0.49490444,0.825029182,0.122311673,0.536250514,0.474264459,0.315784843,9.398262012,13.31948372,27.12891439,0.737543774,1.326299815 +UMLRON0306,L,6-methyl-2-heptene,C/C=C/CCC(C)C,5364870,,UML,[1],C8H16,PubChem,,71.3,0,0.1642,0.02696164,33.9174,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1349.023542,784.154955,341.197081,87.883488,9.144576,0,3885.475125,5223.921076,7758.63172,7616.018954,5372.71753,2869.090631,1154.675865,279.7536999,0,167.819552,174.20624,341.883496,470.237784,449.544684,288.585892,143.482752,60.466176,0,29.42500648,40.12790896,63.51436973,69.27418059,53.32491663,30.38306877,13.35045943,4.001516144,0,3973.037281,3464.315612,7404.551417,10832.52895,11018.60478,7263.286629,3692.500067,1664.258868,0,36.55555556,44.58333333,74.77777778,96.91666667,86.33333333,54,27,9,0,48.76541633,56.15943233,37.32917321,20.13467973,12.06392238,8.123740024,4.184928,1.016064,0,161.8947969,217.6633782,161.6381608,113.6719247,82.65719278,68.31168168,54.98456499,31.08374443,0,6.992481333,7.258593333,7.122572833,7.018474388,6.916072062,6.871092667,6.832512,6.718464,0,1.226041937,1.671996207,1.323216036,1.033942994,0.820383333,0.723406399,0.635736163,0.444612905,0,165.54322,144.3464838,154.2614879,161.6795365,169.5169966,172.9353959,175.8333365,184.917652,0,1.523148148,1.857638889,1.55787037,1.446517413,1.328205128,1.285714286,1.285714286,1,0,0.032255029,-0.003035682,-0.005196084,-0.015953261,-1.14E-04,0.002817482,5.75E-04,0.004778912,0,645.6853813,5.47E-13,-80.71067267,-390.1015846,-53.80711511,40.35533633,40.35533633,121.066009,0,1200.679538,0,-150.0849423,-725.4105544,-100.0566282,75.04247115,75.04247115,225.1274134,0,0.126485333,2.94E-15,-0.015810667,-0.076418222,-0.010540444,0.007905333,0.007905333,0.023716,0,5.367596186,1.23E-14,-0.670949523,-3.242922696,-0.447299682,0.335474762,0.335474762,1.006424285,0,29.15686767,-1.14E-13,-3.644608459,-17.61560755,-2.429738973,1.822304229,1.822304229,5.466912688,0,2.314814815,-0.805555556,-0.074074074,-0.596450617,-0.097993827,0.449074074,-0.372685185,0.340277778,0,0.00134396,-1.26E-04,-1.08E-04,-2.38E-04,-1.76E-06,6.71E-05,2.74E-05,5.31E-04,0,26.90355756,2.28E-14,-1.681472347,-5.82241171,-0.827801771,0.960841341,1.921682683,13.45177878,0,50.0283141,0,-3.126769631,-10.8270232,-1.539332741,1.786725503,3.573451007,25.01415705,0,0.005270222,1.22E-16,-3.29E-04,-0.00114057,-1.62E-04,1.88E-04,3.76E-04,0.002635111,0,0.223649841,5.11E-16,-0.013978115,-0.048401831,-0.006881534,0.007987494,0.015974989,0.111824921,0,1.214869486,-4.74E-15,-0.075929343,-0.262919516,-0.0373806,0.043388196,0.086776392,0.607434743,0,0.096450617,-0.033564815,-0.00154321,-0.008902248,-0.001507597,0.01069224,-0.017746914,0.037808642,0,-0.094115011,-0.080546888,-0.177169306,-0.001306367,0.04991438,0.020381865,0.395093903,0,8.47E-16,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,0,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,2.32E-14,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,2.29E-15,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,-3.90E-15,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,-0.348,-0.016,-0.092298507,-0.015630769,0.110857143,-0.184,0.392,0,1.532779925,1.175602848,1.172861416,0.87034063,0.749025336,0.770059161,2.03E-05,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.8745,0.874,0.98041791,0.917169231,0.808285714,1.419428571,0,0,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,37.70519329,18.76231887,28.28933508,37.56977663,4.696222078,18.76231889,-0.180555556,0.079288157,0.00991102,-2.027733207,56.65885442,7.082356803,3.229638621,0,11.89,12.11011416,-0.163178056,0.057765027,5.47158872,8.391632439,8,24,24,24,8,0,0,0,0,0,17.491312,3.685989082,3.092821346,2.670943536,2.40090396,2.000350245,1.589017011,0.972022278,0.877194925,1.854241345,1.794539264,1.463589589,1.210734547,0.840676949,0.71947014,0.415151155,0.31945483,3.708521786,3.130308654,2.72129108,2.454611113,2.073125205,1.683813318,1.096376447,1.007695685,1.795418836,1.731647105,1.373528225,1.101293988,0.709085526,0.580517984,0.262315689,0.15462472,3.807905188,3.295836556,2.940502477,2.688356131,2.378721148,2.071155971,1.585579761,1.517481683,1.625089618,1.547459617,1.093912816,0.749844632,0.275686454,0.118286354,0.255749329,0.420338663,3.725133284,3.157994439,2.758334749,2.494130403,2.1260559,1.752167903,1.184872557,1.100332526,1.758190234,1.691652068,1.31486169,1.02906644,0.62139989,0.487591374,0.159423307,0.042618796,3.856582478,3.376213844,3.044680986,2.799242275,2.517788375,2.241595679,1.792298982,1.731344475,1.572877276,1.490407446,1.002393698,0.630707167,0.124872429,0.044424808,0.442305666,0.635939031,3.707159954,3.267489491,2.900482527,2.553728022,2.242082571,1.881001293,1.321967784,1.245365857,1.738938112,1.653368489,1.168678753,0.839162578,0.459893957,0.338590232,0.007169394,0.139155595,0,0,0,0,0,2,4,2,0,0,0,0.11785113,0.201184464,0.166666667,0,0,0.11785113,0.201184464,0.166666667,0.49279928,0,0,0,0.49279928,0,0,0,0.837103655,1.101444348,0.819035594,0.837103655,1.101444348,0.819035594,5.983127663,3.825698503,3.192497939,2.380766767,1.695748723,0.922588984,0.284517797,0,0.747890958,0.478212313,0.319249794,0.216433342,0.141312394,0.115323623,0.094839266,0,5.983127663,3.825698503,3.192497939,2.380766767,1.695748723,0.922588984,0.284517797,0,0.747890958,0.478212313,0.319249794,0.216433342,0.141312394,0.115323623,0.094839266,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,27.61847035,38.59269479,55.2369407,6.904617587,27.61847035,0.056518783,0.007064848,-2.298545802,32.88720351,4.110900438,2.794466905,59,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.678935185,0,5.885925926,0,0,0,2.101805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.308240741,0,1.407083333,0,0,0,1.027731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.497685185,0,0,0,1.074074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.370694444,0.2,1.027731481,5.751583657,0.305601852,0.370694444,1.35787037,0.305601852,0.370694444,1.35787037,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.29657,1.03707,8.29657,0,0,3.82569,0.47821,3.82569,0,0,0.08831,0.01104,0.17431,0.02179,0.208333333,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.772055209,3.522055209,3.371653522,3.538320189,22.03910002,34.03910002,66.52932501,84.52932501,80.91968454,84.91968454,0.200284263,0.309336409,0.604597139,0.768175358,0.735372104,0.77172282,3.666666667,3.166666667,1.812907292,1.062907292,1.213308978,1.046642312,0.200284263,0.309336409,0.604597139,0.768175358,0.735372104,0.77172282,6.73287657,12.73287657,18.67730206,18.51715625,18.36557767,20.36557767,31.59900002,23.74937501,18.28646667,17.30526354,17.74824261,15.16328011,6.125,2.52,1.487603306,2,0,2,2.34,1.1272,0.2,3.150627212,1.807204007,0,3.14734519,5.863977986,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,11,12,8,3,0,0,0,0,60,2.197224577,2.397895273,2.48490665,2.564949357,2.197224577,1.386294361,0,0,0,0,4.110873864,1,0.4,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,3,0.375,0,3,5,0.666666667,2,0.666666667,0.569444444,0.205,0,0,0,0,0,0,0.25,0.066666667,0.094907407,0.068333333,0,0,0,0,0,0,0.479907407,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,0,134.567877,4,3.610917913,4.369447852,5.176149733,5.958424693,6.767343125,7.556427969,8.363808885,9.155989777,9.961614941,76.92012489,2.833213344,0,4.043051268,2.397895273,5.424950017,4.59511985,6.876264612,6.529418838,8.365672384,8.758255243,112.1252005,4.671883355,15.46568272,1.93321034,0,0,0,63,6,4.43,36,1.331436567,2.359396726,3.243611672,4.055944433,4.938835536,5.999901781,7.123235952,0,0,0,94.01800751,103.5980495,75.70316523,58.05997243,47.61186938,27.67860672,7.237663614,0,0,0,334.770918,424.0756512,400.5964559,365.3990016,368.3766294,349.2817916,221.4168458,0,0,0,9.725938808,16.89518985,22.84635661,28.13594281,34.04417173,41.08687589,47.85720431,0,0,0,2.47012952,3.377681623,3.55504946,3.523827429,3.791231275,3.969325409,3.167082628,0,0,0,188.3541604,357.5733739,518.4589114,681.2156734,845.6918415,1047.616799,1317.212067,0,0,0,2.537543875,3.815804947,4.835444498,5.532364657,6.570710313,7.945828732,7.123235952,0,0,0,0.509638069,0.707345234,0.758849995,0.763852018,0.830483224,0.882149491,0.729419361,0,0,0,328.6451491,135.0551261,8.349943121,55.91570229,-22.97828599,-2.885702759,272.7294468,158.0334121,11.23564588,0.854598558,0.351193122,0.021712931,0.145401442,-0.059752016,-0.007503891,126.3840583,51.93691427,3.211061236,21.50299008,-8.836549222,-1.10972831,0.072708993,0.158000752,0.855707029,1.455890798,384.5608514,0,1,0,402.4237007,20.06050101,7.38291469,557.416278,23.60966493,8.229874559,659.8870066,25.68826593,8.706090801,1.406004067,1.039522121,585.9369575,563.6149656,143.3950696,1.039605038,4.086172273,3.930504495,4.502940619,4.389230947,8.333691565,0.898667823,4.462408855,4.441389222,3.592736028,11.49991877,11.00654551,8.182941316,6.528102446,12.83442988,6.097572568,2.642034858,2.099626353,4.67603053,1.3056939,1.89253498,0.418192817,0.062922621,5.23E-20,8.39E-60,2.60E-121,1.55E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0.374499053,4.441098655,0.777061924,4.313564792,1.17147997,3.313757666,0.275858435,0.684410461,0.504494822,0.107869506,0.748566068,1.19545768,0.016617002,0.058445993,0.002945367,4.43E-04,3.69E-22,5.91E-62,1.83E-123,1.09E-206,1.2563210686816E-311,0,0,0,0,0,0,0,0,0,1.208928595,4.441118701,1.13319838,5.488603258,2.438158763,4.009744988,0.98453492,2.148921433,1.119785668,0.42323995,0.906531824,1.70902662,0.114896254,0.254814924,0.030692989,0.004618164,3.84E-21,6.16E-61,1.91E-122,1.14E-205,1.30918341642953E-310,0,0,0,0,0,0,0,0,0,4.212149946,4.441357544,3.343028098,10.95672861,10.14235538,7.779460263,5.944567763,11.73134043,5.568954119,2.415467158,1.97523656,4.39329913,1.168459482,1.717280127,0.372602272,0.056062923,4.66E-20,7.48E-60,2.31E-121,1.38E-204,0.00E+00,0,0,0,0,0,0,0,0,0,1.781738316,4.441144121,1.442582545,6.381886512,3.527673018,4.57597615,1.639533428,3.455805175,1.698455345,0.699682161,1.049951913,2.120036368,0.231308908,0.442470219,0.066669272,0.01003127,8.34E-21,1.34E-60,4.14E-122,2.47E-205,2.84372132224983E-310,0,0,0,0,0,0,0,0,0,5.389004952,4.441522287,4.605099476,13.62833632,14.5038412,9.79651602,8.916635685,17.32660223,8.266241033,3.562014103,2.60750897,5.80194365,1.880026948,2.6129262,0.609894919,0.09176673,7.63E-20,1.22E-59,3.79E-121,2.26E-204,0.00E+00,0,0,0,0,0,0,0,0,0,2.966698408,4.244077618,1.951652004,7.535962332,5.785041382,5.810049988,3.075716652,6.429794715,3.06708517,1.358821736,1.474957681,3.68222592,0.559331849,0.989005156,0.16681376,0.025099328,2.09E-20,3.35E-60,1.04E-121,6.18E-205,7.11529978875355E-310,0,0,0,0,0,0,0,0,0,5.436042046,1.246093516,1.071882018,0.701061352,0.160702952,0.499747203,0.360810018,0.522243898,7.75401758,13.9362777,28.95102764,0.551592028,1.382801119,4.492964474,0.739842273,0.54278748,0.777922461,0.128098035,0.342827396,0.128008532,0.132016071,5.775594227,6.164387036,13.74425301,0.666883691,0.602851999,4.866921714,0.940787412,0.753650639,0.741755046,0.143382995,0.401470442,0.206444744,0.256709458,6.561359766,8.955722379,18.96785148,0.612632569,0.864624644,5.412636675,1.233547336,1.058853382,0.702480261,0.160096217,0.495489931,0.353633417,0.509590617,7.705037392,13.71407797,28.48880785,0.553720391,1.358713965,5.033876407,1.030406656,0.847324744,0.728322056,0.149083496,0.42916871,0.247366767,0.325323878,6.911607808,10.32535685,21.63198706,0.592483084,1.001859356,5.509334951,1.285376817,1.112649703,0.696734931,0.162554453,0.513198557,0.383741699,0.562795101,7.907361472,14.64170546,30.42837527,0.545102397,1.459735357,5.438561603,1.234521359,1.061890348,0.70311317,0.159602536,0.500166534,0.354139352,0.512676693,7.73497331,13.80010285,28.66462968,0.554669755,1.36698258 +UMLRON0307,L,trans-1-methyl-3-ethyl-cyclopentane,CC[C@@H]1CC[C@H](C1)C,6432281,Sandia values from independent API report ,Sandia,,C8H16,UML,,57.6,0,1.528,2.334784,34.3257,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1410.479624,1313.632662,593.499481,121.4136,9.144576,0,0,3461.958223,4376.887272,6118.039963,7044.624533,5474.660402,2180.439431,279.7536999,0,0,160.279036,159.125208,296.735264,382.099416,498.123172,365.192064,60.466176,0,0,26.63610648,34.55010896,50.80666687,62.15635002,57.10008402,28.02268529,4.001516144,0,0,3846.242925,3210.7269,6665.652931,8492.189678,12174.9141,9794.782583,1664.258868,0,0,38.0625,44.75,66.75,93.5,106,60,9,0,0,44.61329874,48.14991518,33.58284819,24.32653078,8.243048347,2.2484,1.016064,0,0,150.5199227,198.9494215,145.6676182,130.4560099,76.03695003,40.37850798,31.08374443,0,0,6.968653739,7.232964,7.065125333,7.075915111,6.918377389,6.762816,6.718464,0,0,1.158091586,1.570459498,1.209682544,1.151043519,0.793056722,0.518938617,0.444612905,0,0,167.2279533,145.9421318,158.7060222,157.2627718,169.0960292,181.3848627,184.917652,0,0,1.654891304,2.034090909,1.589285714,1.731481481,1.472222222,1.111111111,1,0,0,0.031306772,-0.008413449,0.008081882,-0.016402808,-0.021579506,0.017901895,0.004758601,0,0,589.5388264,-58.58770946,113.0559706,-436.6615221,-397.9844795,384.4818433,100.9264839,0,0,1096.272622,-108.9463475,210.232405,-811.9907464,-740.0691342,714.9604056,187.6771065,0,0,0.115486609,-0.01147693,0.022146888,-0.085538994,-0.077962427,0.075317353,0.019770805,0,0,4.900848691,-0.487040864,0.939836667,-3.629976438,-3.308453367,3.196205668,0.839003988,0,0,26.62148787,-2.645613702,5.10520769,-19.71808962,-17.9715712,17.36183992,4.557482978,0,0,3.364130435,-1.89721172,1.144848771,-0.061436673,-2.781190926,1.44399811,0.468927221,0,0,0.001361164,-3.82E-04,1.92E-04,-3.04E-04,-3.00E-04,3.32E-04,5.29E-04,0,0,25.63212289,-2.663077703,2.691808824,-8.086324483,-5.527562215,7.120034136,11.21405376,0,0,47.66402704,-4.952106706,5.005533452,-15.03686567,-10.27873797,13.24000751,20.85301183,0,0,0.005021157,-5.22E-04,5.27E-04,-0.001584055,-0.001082811,0.001394766,0.002196756,0,0,0.213080378,-0.022138221,0.022377063,-0.067221786,-0.045950741,0.059188994,0.093222665,0,0,1.157455995,-0.120255168,0.121552564,-0.365149808,-0.249605156,0.321515554,0.506386998,0,0,0.146266541,-0.086236896,0.027258304,-0.001137716,-0.038627652,0.026740706,0.052103025,0,0,-0.280957707,0.141368531,-0.223158782,-0.220190485,0.243553729,0.388442115,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.589587311,0.186360489,-0.007778376,-0.264090827,0.182821756,0.356219709,0,0,1.820571573,0.87386498,1.385409186,1.182266495,0.302033566,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,2.192245557,0.642280175,1.142912703,1.339705618,0.363309998,0,0,0,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,35.39635054,17.5815086,25.27166631,35.22968387,5.032811982,17.58150865,-0.233333333,1.22E-15,1.74E-16,-24.03723371,4000004.07,571429.1528,10.64126416,0,11.89,12.11009426,-0.167985522,0.052561797,5.591467234,8.899502724,6,22,22,22,6,0,0,0,0,0,17.491312,3.574978343,2.902564078,2.685171409,2.333552793,1.799662052,1.598026915,0.443021474,0.083923071,1.942186947,1.563026335,1.43543247,1.249629723,0.873444649,0.769718516,0.083923071,0.083923071,3.598605629,2.950308951,2.74069663,2.405454588,1.886405282,1.695309721,0.55220905,0.270913902,1.886429748,1.473453684,1.336134217,1.134540686,0.74261092,0.630337185,0.270913902,0.270913902,3.704581195,3.155598408,2.977445718,2.704236987,2.243010376,2.090117344,0.964952634,0.943918427,1.726127666,1.195492746,1.023013433,0.76031856,0.309093543,0.162386152,0.943918427,0.943918427,3.616126269,2.985267979,2.781255866,2.457539916,1.949059228,1.765276817,0.628971729,0.399277246,1.85123465,1.415133181,1.271070023,1.058262671,0.655276683,0.536857124,0.399277246,0.399277246,3.757360594,3.252217518,3.087536905,2.838982085,2.401293357,2.26277616,1.207644823,1.207644823,1.677416459,1.104407163,0.918752736,0.631337262,0.156681707,0.004703131,1.129594515,1.207644823,3.577637728,3.061422362,2.899211901,2.612600818,2.030943263,1.838196629,0.625239344,0.571428571,1.875379131,1.325313653,1.140967173,0.898315104,0.545257359,0.431448195,0.571428571,0.571428571,0,0,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,0,0,1.207106781,0.25,0,0,1.207106781,0.25,0,0,1.707106781,1,0,1.707106781,1,0,5.914213562,3.121320344,2.871320344,1.914213562,0.25,0,0,0,0.844887652,0.520220057,0.358915043,0.319035594,0.25,0,0,0,5.914213562,3.121320344,2.871320344,1.914213562,0.25,0,0,0,0.844887652,0.520220057,0.358915043,0.319035594,0.25,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,34,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,9.076388889,0,2.590277778,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.239583333,0,1.295138889,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.298611111,0,1.295138889,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.25,1.75,0.2,2.298611111,0,0.583333333,5.312430556,0.666666667,0.298611111,2.152777778,0.666666667,0.298611111,2.152777778,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.57143,0,0.14286,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.84027,1.12004,7.84027,0,0,3.12132,0.4459,3.12132,0,0,0.29268,0.04181,0.29268,0.04181,0,6,0,0,0,0,0,0,1,0.886540893,1.306170652,2.044451086,2.566190217,2.36951361,1.756720226,20.39044053,30.04192499,47.02237498,59.02237498,54.49881302,40.4045652,0.195982923,0.288748262,0.451956026,0.567294146,0.523815885,0.388348882,3.637021063,3.217391304,2.47911087,1.95737174,2.154048346,2.76684173,0.19880132,0.292900702,0.45845553,0.575452308,0.531348793,0.393933662,6.634953582,11.67051069,14.32625079,14.85207255,12.49195327,5.138432664,27.76507516,21.21742031,19.84231067,20.03452107,18.85446143,11.50094083,7,2.34375,2.666666667,7,0,5,2.23,1.0949,2.039648903,4.298279727,0,2.828427125,0.5,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,2.855,8,6,1,0,0,0,0,0,0,28,1.945910149,2.197224577,1.945910149,0.693147181,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,3,1.111111111,0.125,0,0,0,0,0,0,0,0.5,0.138888889,0.020833333,0,0,0,0,0,0,0,0.659722222,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,0,129.6283511,3.807354922,3.36729583,4.043051268,4.844187086,5.549076085,6.354370041,7.063903961,7.870547845,8.580918882,9.387900612,70.06125161,2.564949357,0,3.80666249,0,5.262690189,0,6.767343125,0,8.282230063,8.532278829,100.1252005,4.353269587,12.44270382,1.777529117,0,0,0,44,6,4.299,28,1.224818182,2.110039005,2.924159227,3.474757511,3.952964644,5.71185753,0,0,0,0,69.72220731,81.39693149,76.11385697,31.90081193,10.61486373,5.803612809,0,0,0,0,268.787596,337.4239973,396.2765835,274.4580573,172.6406646,177.5459197,0,0,0,0,8.893455721,14.97568724,20.72699372,24.06670898,26.79532824,38.37490919,0,0,0,0,2.059771149,2.735845826,3.457950507,2.821098814,2.155507404,2.539565568,0,0,0,0,176.6115071,329.9879212,457.2457905,585.5682262,712.0570339,1056.223283,0,0,0,0,2.538829545,3.501396601,5.152654435,5.169126467,4.547896064,5.71185753,0,0,0,0,0.427911136,0.575376064,0.73538305,0.616797951,0.486646143,0.584894211,0,0,0,0,351.2538824,135.6087776,8.422640101,123.6246489,-47.72783548,-7.249936546,227.6292335,183.336613,15.67257665,0.739671009,0.285565189,0.01773641,0.260328991,-0.100505355,-0.015266928,166.8029278,64.39769712,3.999730961,58.7066917,-22.66492441,-3.442839219,0.06936215,0.167822642,1.367179659,8.42336208,474.8785313,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,651.8861034,25.53206031,8.670761509,1.600376192,1.20582466,301.9411244,301.0866254,117.3617398,1.00283805,2.572738994,2.565458095,3.7171057,3.220194404,6.42424645,0.994987148,4.462408855,5.691187203,2.528752837,30.60273147,5.933777466,9.998374675,9.367718843,8.391585578,4.005473465,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851897,0.149881511,8.932443656,2.023351974,0.331592865,0.652671376,0.333439406,0.957409077,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690874933,0.524912857,11.8618731,2.301177387,1.404778953,1.996587945,1.320719156,1.162491535,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691150612,2.344012169,28.7475861,5.510292301,9.088187436,8.680297607,7.665648812,3.67131965,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690904229,0.815183813,14.31641578,2.64640617,2.408719208,3.048308136,2.193698832,1.4271176,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691340921,3.257168424,38.07157851,7.710774744,13.72990057,12.08766339,11.34352843,5.410230557,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.732087054,4.568276431,1.078605138,18.19740676,3.907136712,4.373030767,4.932270683,3.322899843,2.227401361,1.559038414,0.053081045,0.367905486,2.62E-15,3.60E-51,9.54E-109,4.88E-188,4.81E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.143134216,1.083373056,1.042643022,0.596516334,0.205606786,0.457022849,0.472182242,0.451937121,5.269150294,7.811925237,16.63146991,0.394774501,1.381142212,2.425158869,0.590249567,0.584676146,0.673639414,0.163954361,0.272077387,0.140160268,0.142114195,3.600084582,3.194486356,7.631505007,0.510459121,0.55435185,2.722543607,0.794500869,0.774365612,0.634417022,0.185137485,0.342895472,0.253946564,0.24928655,4.291410088,4.88654156,10.85295345,0.451625533,0.846128586,3.12654359,1.071978198,1.032060545,0.597742926,0.204944331,0.452210911,0.462301704,0.442809658,5.230582334,7.684715251,16.37433784,0.396614389,1.357322272,2.849753172,0.881871591,0.855507349,0.621249422,0.192249006,0.375687333,0.312870267,0.304266557,4.587132112,5.705548772,12.4426704,0.431874133,0.992824157,3.194714628,1.118799778,1.07554404,0.59281499,0.207605798,0.472145876,0.503568241,0.480909248,5.389058445,8.213620724,17.44693817,0.389222485,1.456623365,3.134797151,1.075002078,1.032151288,0.598021126,0.205076731,0.454601587,0.464913542,0.442887528,5.241950518,7.71506315,16.43527418,0.397031689,1.362402657 +UMLRON0308,L,"3,3-dimethylpentane",CCC(C)(C)CC,91105762,Sandia values from independent api report ,Sandia,,C7H15+,UML,,80.8,0,1.528,2.334784,34.3257,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1410.479624,1313.632662,593.499481,121.4136,9.144576,0,0,3461.958223,4376.887272,6118.039963,7044.624533,5474.660402,2180.439431,279.7536999,0,0,160.279036,159.125208,296.735264,382.099416,498.123172,365.192064,60.466176,0,0,26.63610648,34.55010896,50.80666687,62.15635002,57.10008402,28.02268529,4.001516144,0,0,3846.242925,3210.7269,6665.652931,8492.189678,12174.9141,9794.782583,1664.258868,0,0,38.0625,44.75,66.75,93.5,106,60,9,0,0,44.61329874,48.14991518,33.58284819,24.32653078,8.243048347,2.2484,1.016064,0,0,150.5199227,198.9494215,145.6676182,130.4560099,76.03695003,40.37850798,31.08374443,0,0,6.968653739,7.232964,7.065125333,7.075915111,6.918377389,6.762816,6.718464,0,0,1.158091586,1.570459498,1.209682544,1.151043519,0.793056722,0.518938617,0.444612905,0,0,167.2279533,145.9421318,158.7060222,157.2627718,169.0960292,181.3848627,184.917652,0,0,1.654891304,2.034090909,1.589285714,1.731481481,1.472222222,1.111111111,1,0,0,0.031306772,-0.008413449,0.008081882,-0.016402808,-0.021579506,0.017901895,0.004758601,0,0,589.5388264,-58.58770946,113.0559706,-436.6615221,-397.9844795,384.4818433,100.9264839,0,0,1096.272622,-108.9463475,210.232405,-811.9907464,-740.0691342,714.9604056,187.6771065,0,0,0.115486609,-0.01147693,0.022146888,-0.085538994,-0.077962427,0.075317353,0.019770805,0,0,4.900848691,-0.487040864,0.939836667,-3.629976438,-3.308453367,3.196205668,0.839003988,0,0,26.62148787,-2.645613702,5.10520769,-19.71808962,-17.9715712,17.36183992,4.557482978,0,0,3.364130435,-1.89721172,1.144848771,-0.061436673,-2.781190926,1.44399811,0.468927221,0,0,0.001361164,-3.82E-04,1.92E-04,-3.04E-04,-3.00E-04,3.32E-04,5.29E-04,0,0,25.63212289,-2.663077703,2.691808824,-8.086324483,-5.527562215,7.120034136,11.21405376,0,0,47.66402704,-4.952106706,5.005533452,-15.03686567,-10.27873797,13.24000751,20.85301183,0,0,0.005021157,-5.22E-04,5.27E-04,-0.001584055,-0.001082811,0.001394766,0.002196756,0,0,0.213080378,-0.022138221,0.022377063,-0.067221786,-0.045950741,0.059188994,0.093222665,0,0,1.157455995,-0.120255168,0.121552564,-0.365149808,-0.249605156,0.321515554,0.506386998,0,0,0.146266541,-0.086236896,0.027258304,-0.001137716,-0.038627652,0.026740706,0.052103025,0,0,-0.280957707,0.141368531,-0.223158782,-0.220190485,0.243553729,0.388442115,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.589587311,0.186360489,-0.007778376,-0.264090827,0.182821756,0.356219709,0,0,1.820571573,0.87386498,1.385409186,1.182266495,0.302033566,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,2.192245557,0.642280175,1.142912703,1.339705618,0.363309998,0,0,0,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,35.39635054,17.5815086,25.27166631,35.22968387,5.032811982,17.58150865,-0.233333333,1.22E-15,1.74E-16,-24.03723371,4000004.07,571429.1528,10.64126416,0,11.89,12.11009426,-0.167985522,0.052561797,5.591467234,8.899502724,6,22,22,22,6,0,0,0,0,0,17.491312,3.574978343,2.902564078,2.685171409,2.333552793,1.799662052,1.598026915,0.443021474,0.083923071,1.942186947,1.563026335,1.43543247,1.249629723,0.873444649,0.769718516,0.083923071,0.083923071,3.598605629,2.950308951,2.74069663,2.405454588,1.886405282,1.695309721,0.55220905,0.270913902,1.886429748,1.473453684,1.336134217,1.134540686,0.74261092,0.630337185,0.270913902,0.270913902,3.704581195,3.155598408,2.977445718,2.704236987,2.243010376,2.090117344,0.964952634,0.943918427,1.726127666,1.195492746,1.023013433,0.76031856,0.309093543,0.162386152,0.943918427,0.943918427,3.616126269,2.985267979,2.781255866,2.457539916,1.949059228,1.765276817,0.628971729,0.399277246,1.85123465,1.415133181,1.271070023,1.058262671,0.655276683,0.536857124,0.399277246,0.399277246,3.757360594,3.252217518,3.087536905,2.838982085,2.401293357,2.26277616,1.207644823,1.207644823,1.677416459,1.104407163,0.918752736,0.631337262,0.156681707,0.004703131,1.129594515,1.207644823,3.577637728,3.061422362,2.899211901,2.612600818,2.030943263,1.838196629,0.625239344,0.571428571,1.875379131,1.325313653,1.140967173,0.898315104,0.545257359,0.431448195,0.571428571,0.571428571,0,0,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,0,0,1.207106781,0.25,0,0,1.207106781,0.25,0,0,1.707106781,1,0,1.707106781,1,0,5.914213562,3.121320344,2.871320344,1.914213562,0.25,0,0,0,0.844887652,0.520220057,0.358915043,0.319035594,0.25,0,0,0,5.914213562,3.121320344,2.871320344,1.914213562,0.25,0,0,0,0.844887652,0.520220057,0.358915043,0.319035594,0.25,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,34,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,9.076388889,0,2.590277778,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.239583333,0,1.295138889,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.298611111,0,1.295138889,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.25,1.75,0.2,2.298611111,0,0.583333333,5.312430556,0.666666667,0.298611111,2.152777778,0.666666667,0.298611111,2.152777778,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.57143,0,0.14286,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.84027,1.12004,7.84027,0,0,3.12132,0.4459,3.12132,0,0,0.29268,0.04181,0.29268,0.04181,0,6,0,0,0,0,0,0,1,0.886540893,1.306170652,2.044451086,2.566190217,2.36951361,1.756720226,20.39044053,30.04192499,47.02237498,59.02237498,54.49881302,40.4045652,0.195982923,0.288748262,0.451956026,0.567294146,0.523815885,0.388348882,3.637021063,3.217391304,2.47911087,1.95737174,2.154048346,2.76684173,0.19880132,0.292900702,0.45845553,0.575452308,0.531348793,0.393933662,6.634953582,11.67051069,14.32625079,14.85207255,12.49195327,5.138432664,27.76507516,21.21742031,19.84231067,20.03452107,18.85446143,11.50094083,7,2.34375,2.666666667,7,0,5,2.23,1.0949,2.039648903,4.298279727,0,2.828427125,0.5,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,2.855,8,6,1,0,0,0,0,0,0,28,1.945910149,2.197224577,1.945910149,0.693147181,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,3,1.111111111,0.125,0,0,0,0,0,0,0,0.5,0.138888889,0.020833333,0,0,0,0,0,0,0,0.659722222,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,0,129.6283511,3.807354922,3.36729583,4.043051268,4.844187086,5.549076085,6.354370041,7.063903961,7.870547845,8.580918882,9.387900612,70.06125161,2.564949357,0,3.80666249,0,5.262690189,0,6.767343125,0,8.282230063,8.532278829,100.1252005,4.353269587,12.44270382,1.777529117,0,0,0,44,6,4.299,28,1.224818182,2.110039005,2.924159227,3.474757511,3.952964644,5.71185753,0,0,0,0,69.72220731,81.39693149,76.11385697,31.90081193,10.61486373,5.803612809,0,0,0,0,268.787596,337.4239973,396.2765835,274.4580573,172.6406646,177.5459197,0,0,0,0,8.893455721,14.97568724,20.72699372,24.06670898,26.79532824,38.37490919,0,0,0,0,2.059771149,2.735845826,3.457950507,2.821098814,2.155507404,2.539565568,0,0,0,0,176.6115071,329.9879212,457.2457905,585.5682262,712.0570339,1056.223283,0,0,0,0,2.538829545,3.501396601,5.152654435,5.169126467,4.547896064,5.71185753,0,0,0,0,0.427911136,0.575376064,0.73538305,0.616797951,0.486646143,0.584894211,0,0,0,0,351.2538824,135.6087776,8.422640101,123.6246489,-47.72783548,-7.249936546,227.6292335,183.336613,15.67257665,0.739671009,0.285565189,0.01773641,0.260328991,-0.100505355,-0.015266928,166.8029278,64.39769712,3.999730961,58.7066917,-22.66492441,-3.442839219,0.06936215,0.167822642,1.367179659,8.42336208,474.8785313,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,651.8861034,25.53206031,8.670761509,1.600376192,1.20582466,301.9411244,301.0866254,117.3617398,1.00283805,2.572738994,2.565458095,3.7171057,3.220194404,6.42424645,0.994987148,4.462408855,5.691187203,2.528752837,30.60273147,5.933777466,9.998374675,9.367718843,8.391585578,4.005473465,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851897,0.149881511,8.932443656,2.023351974,0.331592865,0.652671376,0.333439406,0.957409077,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690874933,0.524912857,11.8618731,2.301177387,1.404778953,1.996587945,1.320719156,1.162491535,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691150612,2.344012169,28.7475861,5.510292301,9.088187436,8.680297607,7.665648812,3.67131965,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690904229,0.815183813,14.31641578,2.64640617,2.408719208,3.048308136,2.193698832,1.4271176,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691340921,3.257168424,38.07157851,7.710774744,13.72990057,12.08766339,11.34352843,5.410230557,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.732087054,4.568276431,1.078605138,18.19740676,3.907136712,4.373030767,4.932270683,3.322899843,2.227401361,1.559038414,0.053081045,0.367905486,2.62E-15,3.60E-51,9.54E-109,4.88E-188,4.81E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.143134216,1.083373056,1.042643022,0.596516334,0.205606786,0.457022849,0.472182242,0.451937121,5.269150294,7.811925237,16.63146991,0.394774501,1.381142212,2.425158869,0.590249567,0.584676146,0.673639414,0.163954361,0.272077387,0.140160268,0.142114195,3.600084582,3.194486356,7.631505007,0.510459121,0.55435185,2.722543607,0.794500869,0.774365612,0.634417022,0.185137485,0.342895472,0.253946564,0.24928655,4.291410088,4.88654156,10.85295345,0.451625533,0.846128586,3.12654359,1.071978198,1.032060545,0.597742926,0.204944331,0.452210911,0.462301704,0.442809658,5.230582334,7.684715251,16.37433784,0.396614389,1.357322272,2.849753172,0.881871591,0.855507349,0.621249422,0.192249006,0.375687333,0.312870267,0.304266557,4.587132112,5.705548772,12.4426704,0.431874133,0.992824157,3.194714628,1.118799778,1.07554404,0.59281499,0.207605798,0.472145876,0.503568241,0.480909248,5.389058445,8.213620724,17.44693817,0.389222485,1.456623365,3.134797151,1.075002078,1.032151288,0.598021126,0.205076731,0.454601587,0.464913542,0.442887528,5.241950518,7.71506315,16.43527418,0.397031689,1.362402657 diff --git a/databases/s_database_v1.1.csv b/databases/s_database_v1.1.csv new file mode 100644 index 0000000..1eb7d94 --- /dev/null +++ b/databases/s_database_v1.1.csv @@ -0,0 +1,309 @@ +DATAID,ASSIGNMENT,STRING,STRING,STRING,STRING,STRING,STRING,STRING,STRING,STRING,TARGET,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT +DATAID,ASSIGNMENT,Compound Name,SMILES,PubChem CID,Notes,Source,Literature Source,Formula,Validated By,Notes (IMI),TARGET,nAcid,ALogP,ALogp2,AMR,apol,naAromAtom,nAromBond,nAtom,nHeavyAtom,nH,nB,nC,nN,nO,nS,nP,nF,nCl,nBr,nI,nX,ATS0m,ATS1m,ATS2m,ATS3m,ATS4m,ATS5m,ATS6m,ATS7m,ATS8m,ATS0v,ATS1v,ATS2v,ATS3v,ATS4v,ATS5v,ATS6v,ATS7v,ATS8v,ATS0e,ATS1e,ATS2e,ATS3e,ATS4e,ATS5e,ATS6e,ATS7e,ATS8e,ATS0p,ATS1p,ATS2p,ATS3p,ATS4p,ATS5p,ATS6p,ATS7p,ATS8p,ATS0i,ATS1i,ATS2i,ATS3i,ATS4i,ATS5i,ATS6i,ATS7i,ATS8i,ATS0s,ATS1s,ATS2s,ATS3s,ATS4s,ATS5s,ATS6s,ATS7s,ATS8s,AATS0m,AATS1m,AATS2m,AATS3m,AATS4m,AATS5m,AATS6m,AATS7m,AATS8m,AATS0v,AATS1v,AATS2v,AATS3v,AATS4v,AATS5v,AATS6v,AATS7v,AATS8v,AATS0e,AATS1e,AATS2e,AATS3e,AATS4e,AATS5e,AATS6e,AATS7e,AATS8e,AATS0p,AATS1p,AATS2p,AATS3p,AATS4p,AATS5p,AATS6p,AATS7p,AATS8p,AATS0i,AATS1i,AATS2i,AATS3i,AATS4i,AATS5i,AATS6i,AATS7i,AATS8i,AATS0s,AATS1s,AATS2s,AATS3s,AATS4s,AATS5s,AATS6s,AATS7s,AATS8s,ATSC0c,ATSC1c,ATSC2c,ATSC3c,ATSC4c,ATSC5c,ATSC6c,ATSC7c,ATSC8c,ATSC0m,ATSC1m,ATSC2m,ATSC3m,ATSC4m,ATSC5m,ATSC6m,ATSC7m,ATSC8m,ATSC0v,ATSC1v,ATSC2v,ATSC3v,ATSC4v,ATSC5v,ATSC6v,ATSC7v,ATSC8v,ATSC0e,ATSC1e,ATSC2e,ATSC3e,ATSC4e,ATSC5e,ATSC6e,ATSC7e,ATSC8e,ATSC0p,ATSC1p,ATSC2p,ATSC3p,ATSC4p,ATSC5p,ATSC6p,ATSC7p,ATSC8p,ATSC0i,ATSC1i,ATSC2i,ATSC3i,ATSC4i,ATSC5i,ATSC6i,ATSC7i,ATSC8i,ATSC0s,ATSC1s,ATSC2s,ATSC3s,ATSC4s,ATSC5s,ATSC6s,ATSC7s,ATSC8s,AATSC0c,AATSC1c,AATSC2c,AATSC3c,AATSC4c,AATSC5c,AATSC6c,AATSC7c,AATSC8c,AATSC0m,AATSC1m,AATSC2m,AATSC3m,AATSC4m,AATSC5m,AATSC6m,AATSC7m,AATSC8m,AATSC0v,AATSC1v,AATSC2v,AATSC3v,AATSC4v,AATSC5v,AATSC6v,AATSC7v,AATSC8v,AATSC0e,AATSC1e,AATSC2e,AATSC3e,AATSC4e,AATSC5e,AATSC6e,AATSC7e,AATSC8e,AATSC0p,AATSC1p,AATSC2p,AATSC3p,AATSC4p,AATSC5p,AATSC6p,AATSC7p,AATSC8p,AATSC0i,AATSC1i,AATSC2i,AATSC3i,AATSC4i,AATSC5i,AATSC6i,AATSC7i,AATSC8i,AATSC0s,AATSC1s,AATSC2s,AATSC3s,AATSC4s,AATSC5s,AATSC6s,AATSC7s,AATSC8s,MATS1c,MATS2c,MATS3c,MATS4c,MATS5c,MATS6c,MATS7c,MATS8c,MATS1m,MATS2m,MATS3m,MATS4m,MATS5m,MATS6m,MATS7m,MATS8m,MATS1v,MATS2v,MATS3v,MATS4v,MATS5v,MATS6v,MATS7v,MATS8v,MATS1e,MATS2e,MATS3e,MATS4e,MATS5e,MATS6e,MATS7e,MATS8e,MATS1p,MATS2p,MATS3p,MATS4p,MATS5p,MATS6p,MATS7p,MATS8p,MATS1i,MATS2i,MATS3i,MATS4i,MATS5i,MATS6i,MATS7i,MATS8i,MATS1s,MATS2s,MATS3s,MATS4s,MATS5s,MATS6s,MATS7s,MATS8s,GATS1c,GATS2c,GATS3c,GATS4c,GATS5c,GATS6c,GATS7c,GATS8c,GATS1m,GATS2m,GATS3m,GATS4m,GATS5m,GATS6m,GATS7m,GATS8m,GATS1v,GATS2v,GATS3v,GATS4v,GATS5v,GATS6v,GATS7v,GATS8v,GATS1e,GATS2e,GATS3e,GATS4e,GATS5e,GATS6e,GATS7e,GATS8e,GATS1p,GATS2p,GATS3p,GATS4p,GATS5p,GATS6p,GATS7p,GATS8p,GATS1i,GATS2i,GATS3i,GATS4i,GATS5i,GATS6i,GATS7i,GATS8i,GATS1s,GATS2s,GATS3s,GATS4s,GATS5s,GATS6s,GATS7s,GATS8s,SpAbs_DzZ,SpMax_DzZ,SpDiam_DzZ,SpAD_DzZ,SpMAD_DzZ,EE_DzZ,SM1_DzZ,VE1_DzZ,VE2_DzZ,VE3_DzZ,VR1_DzZ,VR2_DzZ,VR3_DzZ,SpAbs_Dzm,SpMax_Dzm,SpDiam_Dzm,SpAD_Dzm,SpMAD_Dzm,EE_Dzm,SM1_Dzm,VE1_Dzm,VE2_Dzm,VE3_Dzm,VR1_Dzm,VR2_Dzm,VR3_Dzm,SpAbs_Dzv,SpMax_Dzv,SpDiam_Dzv,SpAD_Dzv,SpMAD_Dzv,EE_Dzv,SM1_Dzv,VE1_Dzv,VE2_Dzv,VE3_Dzv,VR1_Dzv,VR2_Dzv,VR3_Dzv,SpAbs_Dze,SpMax_Dze,SpDiam_Dze,SpAD_Dze,SpMAD_Dze,EE_Dze,SM1_Dze,VE1_Dze,VE2_Dze,VE3_Dze,VR1_Dze,VR2_Dze,VR3_Dze,SpAbs_Dzp,SpMax_Dzp,SpDiam_Dzp,SpAD_Dzp,SpMAD_Dzp,EE_Dzp,SM1_Dzp,VE1_Dzp,VE2_Dzp,VE3_Dzp,VR1_Dzp,VR2_Dzp,VR3_Dzp,SpAbs_Dzi,SpMax_Dzi,SpDiam_Dzi,SpAD_Dzi,SpMAD_Dzi,EE_Dzi,SM1_Dzi,VE1_Dzi,VE2_Dzi,VE3_Dzi,VR1_Dzi,VR2_Dzi,VR3_Dzi,SpAbs_Dzs,SpMax_Dzs,SpDiam_Dzs,SpAD_Dzs,SpMAD_Dzs,EE_Dzs,SM1_Dzs,VE1_Dzs,VE2_Dzs,VE3_Dzs,VR1_Dzs,VR2_Dzs,VR3_Dzs,nBase,BCUTw-1l,BCUTw-1h,BCUTc-1l,BCUTc-1h,BCUTp-1l,BCUTp-1h,nBonds,nBonds2,nBondsS,nBondsS2,nBondsS3,nBondsD,nBondsD2,nBondsT,nBondsQ,nBondsM,bpol,SpMax1_Bhm,SpMax2_Bhm,SpMax3_Bhm,SpMax4_Bhm,SpMax5_Bhm,SpMax6_Bhm,SpMax7_Bhm,SpMax8_Bhm,SpMin1_Bhm,SpMin2_Bhm,SpMin3_Bhm,SpMin4_Bhm,SpMin5_Bhm,SpMin6_Bhm,SpMin7_Bhm,SpMin8_Bhm,SpMax1_Bhv,SpMax2_Bhv,SpMax3_Bhv,SpMax4_Bhv,SpMax5_Bhv,SpMax6_Bhv,SpMax7_Bhv,SpMax8_Bhv,SpMin1_Bhv,SpMin2_Bhv,SpMin3_Bhv,SpMin4_Bhv,SpMin5_Bhv,SpMin6_Bhv,SpMin7_Bhv,SpMin8_Bhv,SpMax1_Bhe,SpMax2_Bhe,SpMax3_Bhe,SpMax4_Bhe,SpMax5_Bhe,SpMax6_Bhe,SpMax7_Bhe,SpMax8_Bhe,SpMin1_Bhe,SpMin2_Bhe,SpMin3_Bhe,SpMin4_Bhe,SpMin5_Bhe,SpMin6_Bhe,SpMin7_Bhe,SpMin8_Bhe,SpMax1_Bhp,SpMax2_Bhp,SpMax3_Bhp,SpMax4_Bhp,SpMax5_Bhp,SpMax6_Bhp,SpMax7_Bhp,SpMax8_Bhp,SpMin1_Bhp,SpMin2_Bhp,SpMin3_Bhp,SpMin4_Bhp,SpMin5_Bhp,SpMin6_Bhp,SpMin7_Bhp,SpMin8_Bhp,SpMax1_Bhi,SpMax2_Bhi,SpMax3_Bhi,SpMax4_Bhi,SpMax5_Bhi,SpMax6_Bhi,SpMax7_Bhi,SpMax8_Bhi,SpMin1_Bhi,SpMin2_Bhi,SpMin3_Bhi,SpMin4_Bhi,SpMin5_Bhi,SpMin6_Bhi,SpMin7_Bhi,SpMin8_Bhi,SpMax1_Bhs,SpMax2_Bhs,SpMax3_Bhs,SpMax4_Bhs,SpMax5_Bhs,SpMax6_Bhs,SpMax7_Bhs,SpMax8_Bhs,SpMin1_Bhs,SpMin2_Bhs,SpMin3_Bhs,SpMin4_Bhs,SpMin5_Bhs,SpMin6_Bhs,SpMin7_Bhs,SpMin8_Bhs,C1SP1,C2SP1,C1SP2,C2SP2,C3SP2,C1SP3,C2SP3,C3SP3,C4SP3,SCH-3,SCH-4,SCH-5,SCH-6,SCH-7,VCH-3,VCH-4,VCH-5,VCH-6,VCH-7,SC-3,SC-4,SC-5,SC-6,VC-3,VC-4,VC-5,VC-6,SPC-4,SPC-5,SPC-6,VPC-4,VPC-5,VPC-6,SP-0,SP-1,SP-2,SP-3,SP-4,SP-5,SP-6,SP-7,ASP-0,ASP-1,ASP-2,ASP-3,ASP-4,ASP-5,ASP-6,ASP-7,VP-0,VP-1,VP-2,VP-3,VP-4,VP-5,VP-6,VP-7,AVP-0,AVP-1,AVP-2,AVP-3,AVP-4,AVP-5,AVP-6,AVP-7,Sv,Sse,Spe,Sare,Sp,Si,Mv,Mse,Mpe,Mare,Mp,Mi,CrippenLogP,CrippenMR,SpMax_Dt,SpDiam_Dt,SpAD_Dt,SpMAD_Dt,EE_Dt,VE1_Dt,VE2_Dt,VE3_Dt,VR1_Dt,VR2_Dt,VR3_Dt,ECCEN,nHBd,nwHBd,nHBa,nwHBa,nHBint2,nHBint3,nHBint4,nHBint5,nHBint6,nHBint7,nHBint8,nHBint9,nHBint10,nHsOH,nHdNH,nHsSH,nHsNH2,nHssNH,nHaaNH,nHsNH3p,nHssNH2p,nHsssNHp,nHtCH,nHdCH2,nHdsCH,nHaaCH,nHCHnX,nHCsats,nHCsatu,nHAvin,nHother,nHmisc,nsLi,nssBe,nssssBem,nsBH2,nssBH,nsssB,nssssBm,nsCH3,ndCH2,nssCH2,ntCH,ndsCH,naaCH,nsssCH,nddC,ntsC,ndssC,naasC,naaaC,nssssC,nsNH3p,nsNH2,nssNH2p,ndNH,nssNH,naaNH,ntN,nsssNHp,ndsN,naaN,nsssN,nddsN,naasN,nssssNp,nsOH,ndO,nssO,naaO,naOm,nsOm,nsF,nsSiH3,nssSiH2,nsssSiH,nssssSi,nsPH2,nssPH,nsssP,ndsssP,nddsP,nsssssP,nsSH,ndS,nssS,naaS,ndssS,nddssS,nssssssS,nSm,nsCl,nsGeH3,nssGeH2,nsssGeH,nssssGe,nsAsH2,nssAsH,nsssAs,ndsssAs,nddsAs,nsssssAs,nsSeH,ndSe,nssSe,naaSe,ndssSe,nssssssSe,nddssSe,nsBr,nsSnH3,nssSnH2,nsssSnH,nssssSn,nsI,nsPbH3,nssPbH2,nsssPbH,nssssPb,SHBd,SwHBd,SHBa,SwHBa,SHBint2,SHBint3,SHBint4,SHBint5,SHBint6,SHBint7,SHBint8,SHBint9,SHBint10,SHsOH,SHdNH,SHsSH,SHsNH2,SHssNH,SHaaNH,SHsNH3p,SHssNH2p,SHsssNHp,SHtCH,SHdCH2,SHdsCH,SHaaCH,SHCHnX,SHCsats,SHCsatu,SHAvin,SHother,SHmisc,SsLi,SssBe,SssssBem,SsBH2,SssBH,SsssB,SssssBm,SsCH3,SdCH2,SssCH2,StCH,SdsCH,SaaCH,SsssCH,SddC,StsC,SdssC,SaasC,SaaaC,SssssC,SsNH3p,SsNH2,SssNH2p,SdNH,SssNH,SaaNH,StN,SsssNHp,SdsN,SaaN,SsssN,SddsN,SaasN,SssssNp,SsOH,SdO,SssO,SaaO,SaOm,SsOm,SsF,SsSiH3,SssSiH2,SsssSiH,SssssSi,SsPH2,SssPH,SsssP,SdsssP,SddsP,SsssssP,SsSH,SdS,SssS,SaaS,SdssS,SddssS,SssssssS,SSm,SsCl,SsGeH3,SssGeH2,SsssGeH,SssssGe,SsAsH2,SssAsH,SsssAs,SdsssAs,SddsAs,SsssssAs,SsSeH,SdSe,SssSe,SaaSe,SdssSe,SssssssSe,SddssSe,SsBr,SsSnH3,SssSnH2,SsssSnH,SssssSn,SsI,SsPbH3,SssPbH2,SsssPbH,SssssPb,minHBd,minwHBd,minHBa,minwHBa,minHBint2,minHBint3,minHBint4,minHBint5,minHBint6,minHBint7,minHBint8,minHBint9,minHBint10,minHsOH,minHdNH,minHsSH,minHsNH2,minHssNH,minHaaNH,minHsNH3p,minHssNH2p,minHsssNHp,minHtCH,minHdCH2,minHdsCH,minHaaCH,minHCHnX,minHCsats,minHCsatu,minHAvin,minHother,minHmisc,minsLi,minssBe,minssssBem,minsBH2,minssBH,minsssB,minssssBm,minsCH3,mindCH2,minssCH2,mintCH,mindsCH,minaaCH,minsssCH,minddC,mintsC,mindssC,minaasC,minaaaC,minssssC,minsNH3p,minsNH2,minssNH2p,mindNH,minssNH,minaaNH,mintN,minsssNHp,mindsN,minaaN,minsssN,minddsN,minaasN,minssssNp,minsOH,mindO,minssO,minaaO,minaOm,minsOm,minsF,minsSiH3,minssSiH2,minsssSiH,minssssSi,minsPH2,minssPH,minsssP,mindsssP,minddsP,minsssssP,minsSH,mindS,minssS,minaaS,mindssS,minddssS,minssssssS,minSm,minsCl,minsGeH3,minssGeH2,minsssGeH,minssssGe,minsAsH2,minssAsH,minsssAs,mindsssAs,minddsAs,minsssssAs,minsSeH,mindSe,minssSe,minaaSe,mindssSe,minssssssSe,minddssSe,minsBr,minsSnH3,minssSnH2,minsssSnH,minssssSn,minsI,minsPbH3,minssPbH2,minsssPbH,minssssPb,maxHBd,maxwHBd,maxHBa,maxwHBa,maxHBint2,maxHBint3,maxHBint4,maxHBint5,maxHBint6,maxHBint7,maxHBint8,maxHBint9,maxHBint10,maxHsOH,maxHdNH,maxHsSH,maxHsNH2,maxHssNH,maxHaaNH,maxHsNH3p,maxHssNH2p,maxHsssNHp,maxHtCH,maxHdCH2,maxHdsCH,maxHaaCH,maxHCHnX,maxHCsats,maxHCsatu,maxHAvin,maxHother,maxHmisc,maxsLi,maxssBe,maxssssBem,maxsBH2,maxssBH,maxsssB,maxssssBm,maxsCH3,maxdCH2,maxssCH2,maxtCH,maxdsCH,maxaaCH,maxsssCH,maxddC,maxtsC,maxdssC,maxaasC,maxaaaC,maxssssC,maxsNH3p,maxsNH2,maxssNH2p,maxdNH,maxssNH,maxaaNH,maxtN,maxsssNHp,maxdsN,maxaaN,maxsssN,maxddsN,maxaasN,maxssssNp,maxsOH,maxdO,maxssO,maxaaO,maxaOm,maxsOm,maxsF,maxsSiH3,maxssSiH2,maxsssSiH,maxssssSi,maxsPH2,maxssPH,maxsssP,maxdsssP,maxddsP,maxsssssP,maxsSH,maxdS,maxssS,maxaaS,maxdssS,maxddssS,maxssssssS,maxSm,maxsCl,maxsGeH3,maxssGeH2,maxsssGeH,maxssssGe,maxsAsH2,maxssAsH,maxsssAs,maxdsssAs,maxddsAs,maxsssssAs,maxsSeH,maxdSe,maxssSe,maxaaSe,maxdssSe,maxssssssSe,maxddssSe,maxsBr,maxsSnH3,maxssSnH2,maxsssSnH,maxssssSn,maxsI,maxsPbH3,maxssPbH2,maxsssPbH,maxssssPb,sumI,meanI,hmax,gmax,hmin,gmin,LipoaffinityIndex,MAXDN,MAXDP,DELS,MAXDN2,MAXDP2,DELS2,ETA_Alpha,ETA_AlphaP,ETA_dAlpha_A,ETA_dAlpha_B,ETA_Epsilon_1,ETA_Epsilon_2,ETA_Epsilon_3,ETA_Epsilon_4,ETA_Epsilon_5,ETA_dEpsilon_A,ETA_dEpsilon_B,ETA_dEpsilon_C,ETA_dEpsilon_D,ETA_Psi_1,ETA_dPsi_A,ETA_dPsi_B,ETA_Shape_P,ETA_Shape_Y,ETA_Shape_X,ETA_Beta,ETA_BetaP,ETA_Beta_s,ETA_BetaP_s,ETA_Beta_ns,ETA_BetaP_ns,ETA_dBeta,ETA_dBetaP,ETA_Beta_ns_d,ETA_BetaP_ns_d,ETA_Eta,ETA_EtaP,ETA_Eta_R,ETA_Eta_F,ETA_EtaP_F,ETA_Eta_L,ETA_EtaP_L,ETA_Eta_R_L,ETA_Eta_F_L,ETA_EtaP_F_L,ETA_Eta_B,ETA_EtaP_B,ETA_Eta_B_RC,ETA_EtaP_B_RC,FMF,fragC,nHBAcc,nHBAcc2,nHBAcc3,nHBAcc_Lipinski,nHBDon,nHBDon_Lipinski,HybRatio,IC0,IC1,IC2,IC3,IC4,IC5,TIC0,TIC1,TIC2,TIC3,TIC4,TIC5,SIC0,SIC1,SIC2,SIC3,SIC4,SIC5,CIC0,CIC1,CIC2,CIC3,CIC4,CIC5,BIC0,BIC1,BIC2,BIC3,BIC4,BIC5,MIC0,MIC1,MIC2,MIC3,MIC4,MIC5,ZMIC0,ZMIC1,ZMIC2,ZMIC3,ZMIC4,ZMIC5,Kier1,Kier2,Kier3,nAtomLC,nAtomP,nAtomLAC,MLogP,McGowan_Volume,MDEC-11,MDEC-12,MDEC-13,MDEC-14,MDEC-22,MDEC-23,MDEC-24,MDEC-33,MDEC-34,MDEC-44,MDEO-11,MDEO-12,MDEO-22,MDEN-11,MDEN-12,MDEN-13,MDEN-22,MDEN-23,MDEN-33,MLFER_A,MLFER_BH,MLFER_BO,MLFER_S,MLFER_E,MLFER_L,MPC2,MPC3,MPC4,MPC5,MPC6,MPC7,MPC8,MPC9,MPC10,TPC,piPC1,piPC2,piPC3,piPC4,piPC5,piPC6,piPC7,piPC8,piPC9,piPC10,TpiPC,R_TpiPCTPC,PetitjeanNumber,nRing,n3Ring,n4Ring,n5Ring,n6Ring,n7Ring,n8Ring,n9Ring,n10Ring,n11Ring,n12Ring,nG12Ring,nFRing,nF4Ring,nF5Ring,nF6Ring,nF7Ring,nF8Ring,nF9Ring,nF10Ring,nF11Ring,nF12Ring,nFG12Ring,nTRing,nT4Ring,nT5Ring,nT6Ring,nT7Ring,nT8Ring,nT9Ring,nT10Ring,nT11Ring,nT12Ring,nTG12Ring,nHeteroRing,n3HeteroRing,n4HeteroRing,n5HeteroRing,n6HeteroRing,n7HeteroRing,n8HeteroRing,n9HeteroRing,n10HeteroRing,n11HeteroRing,n12HeteroRing,nG12HeteroRing,nFHeteroRing,nF4HeteroRing,nF5HeteroRing,nF6HeteroRing,nF7HeteroRing,nF8HeteroRing,nF9HeteroRing,nF10HeteroRing,nF11HeteroRing,nF12HeteroRing,nFG12HeteroRing,nTHeteroRing,nT4HeteroRing,nT5HeteroRing,nT6HeteroRing,nT7HeteroRing,nT8HeteroRing,nT9HeteroRing,nT10HeteroRing,nT11HeteroRing,nT12HeteroRing,nTG12HeteroRing,nRotB,RotBFrac,nRotBt,RotBtFrac,LipinskiFailures,topoRadius,topoDiameter,topoShape,GGI1,GGI2,GGI3,GGI4,GGI5,GGI6,GGI7,GGI8,GGI9,GGI10,JGI1,JGI2,JGI3,JGI4,JGI5,JGI6,JGI7,JGI8,JGI9,JGI10,JGT,SpMax_D,SpDiam_D,SpAD_D,SpMAD_D,EE_D,VE1_D,VE2_D,VE3_D,VR1_D,VR2_D,VR3_D,TopoPSA,VABC,VAdjMat,MWC2,MWC3,MWC4,MWC5,MWC6,MWC7,MWC8,MWC9,MWC10,TWC,SRW2,SRW3,SRW4,SRW5,SRW6,SRW7,SRW8,SRW9,SRW10,TSRW,MW,AMW,WTPT-1,WTPT-2,WTPT-3,WTPT-4,WTPT-5,WPATH,WPOL,XLogP,Zagreb,TDB1u,TDB2u,TDB3u,TDB4u,TDB5u,TDB6u,TDB7u,TDB8u,TDB9u,TDB10u,TDB1m,TDB2m,TDB3m,TDB4m,TDB5m,TDB6m,TDB7m,TDB8m,TDB9m,TDB10m,TDB1v,TDB2v,TDB3v,TDB4v,TDB5v,TDB6v,TDB7v,TDB8v,TDB9v,TDB10v,TDB1e,TDB2e,TDB3e,TDB4e,TDB5e,TDB6e,TDB7e,TDB8e,TDB9e,TDB10e,TDB1p,TDB2p,TDB3p,TDB4p,TDB5p,TDB6p,TDB7p,TDB8p,TDB9p,TDB10p,TDB1i,TDB2i,TDB3i,TDB4i,TDB5i,TDB6i,TDB7i,TDB8i,TDB9i,TDB10i,TDB1s,TDB2s,TDB3s,TDB4s,TDB5s,TDB6s,TDB7s,TDB8s,TDB9s,TDB10s,TDB1r,TDB2r,TDB3r,TDB4r,TDB5r,TDB6r,TDB7r,TDB8r,TDB9r,TDB10r,PPSA-1,PPSA-2,PPSA-3,PNSA-1,PNSA-2,PNSA-3,DPSA-1,DPSA-2,DPSA-3,FPSA-1,FPSA-2,FPSA-3,FNSA-1,FNSA-2,FNSA-3,WPSA-1,WPSA-2,WPSA-3,WNSA-1,WNSA-2,WNSA-3,RPCG,RNCG,RPCS,RNCS,THSA,TPSA,RHSA,RPSA,GRAV-1,GRAV-2,GRAV-3,GRAVH-1,GRAVH-2,GRAVH-3,GRAV-4,GRAV-5,GRAV-6,LOBMAX,LOBMIN,MOMI-X,MOMI-Y,MOMI-Z,MOMI-XY,MOMI-XZ,MOMI-YZ,MOMI-R,geomRadius,geomDiameter,geomShape,RDF10u,RDF15u,RDF20u,RDF25u,RDF30u,RDF35u,RDF40u,RDF45u,RDF50u,RDF55u,RDF60u,RDF65u,RDF70u,RDF75u,RDF80u,RDF85u,RDF90u,RDF95u,RDF100u,RDF105u,RDF110u,RDF115u,RDF120u,RDF125u,RDF130u,RDF135u,RDF140u,RDF145u,RDF150u,RDF155u,RDF10m,RDF15m,RDF20m,RDF25m,RDF30m,RDF35m,RDF40m,RDF45m,RDF50m,RDF55m,RDF60m,RDF65m,RDF70m,RDF75m,RDF80m,RDF85m,RDF90m,RDF95m,RDF100m,RDF105m,RDF110m,RDF115m,RDF120m,RDF125m,RDF130m,RDF135m,RDF140m,RDF145m,RDF150m,RDF155m,RDF10v,RDF15v,RDF20v,RDF25v,RDF30v,RDF35v,RDF40v,RDF45v,RDF50v,RDF55v,RDF60v,RDF65v,RDF70v,RDF75v,RDF80v,RDF85v,RDF90v,RDF95v,RDF100v,RDF105v,RDF110v,RDF115v,RDF120v,RDF125v,RDF130v,RDF135v,RDF140v,RDF145v,RDF150v,RDF155v,RDF10e,RDF15e,RDF20e,RDF25e,RDF30e,RDF35e,RDF40e,RDF45e,RDF50e,RDF55e,RDF60e,RDF65e,RDF70e,RDF75e,RDF80e,RDF85e,RDF90e,RDF95e,RDF100e,RDF105e,RDF110e,RDF115e,RDF120e,RDF125e,RDF130e,RDF135e,RDF140e,RDF145e,RDF150e,RDF155e,RDF10p,RDF15p,RDF20p,RDF25p,RDF30p,RDF35p,RDF40p,RDF45p,RDF50p,RDF55p,RDF60p,RDF65p,RDF70p,RDF75p,RDF80p,RDF85p,RDF90p,RDF95p,RDF100p,RDF105p,RDF110p,RDF115p,RDF120p,RDF125p,RDF130p,RDF135p,RDF140p,RDF145p,RDF150p,RDF155p,RDF10i,RDF15i,RDF20i,RDF25i,RDF30i,RDF35i,RDF40i,RDF45i,RDF50i,RDF55i,RDF60i,RDF65i,RDF70i,RDF75i,RDF80i,RDF85i,RDF90i,RDF95i,RDF100i,RDF105i,RDF110i,RDF115i,RDF120i,RDF125i,RDF130i,RDF135i,RDF140i,RDF145i,RDF150i,RDF155i,RDF10s,RDF15s,RDF20s,RDF25s,RDF30s,RDF35s,RDF40s,RDF45s,RDF50s,RDF55s,RDF60s,RDF65s,RDF70s,RDF75s,RDF80s,RDF85s,RDF90s,RDF95s,RDF100s,RDF105s,RDF110s,RDF115s,RDF120s,RDF125s,RDF130s,RDF135s,RDF140s,RDF145s,RDF150s,RDF155s,L1u,L2u,L3u,P1u,P2u,E1u,E2u,E3u,Tu,Au,Vu,Ku,Du,L1m,L2m,L3m,P1m,P2m,E1m,E2m,E3m,Tm,Am,Vm,Km,Dm,L1v,L2v,L3v,P1v,P2v,E1v,E2v,E3v,Tv,Av,Vv,Kv,Dv,L1e,L2e,L3e,P1e,P2e,E1e,E2e,E3e,Te,Ae,Ve,Ke,De,L1p,L2p,L3p,P1p,P2p,E1p,E2p,E3p,Tp,Ap,Vp,Kp,Dp,L1i,L2i,L3i,P1i,P2i,E1i,E2i,E3i,Ti,Ai,Vi,Ki,Di,L1s,L2s,L3s,P1s,P2s,E1s,E2s,E3s,Ts,As,Vs,Ks,Ds +UMLS0001,L,1-Butanol,CCCCO,263,,"Sandia, UML",[6],C4H10O,PubChem,,13,0,-0.9734,0.94750756,18.9987,14.50993,0,0,15,5,10,0,4,0,1,0,0,0,0,0,0,0,843.185125,750.047136,688.541831,506.009998,309.253269,68.616576,3.048192,0,0,2221.295828,2687.923385,3106.605663,2534.97974,1528.181395,609.4474637,93.25123329,0,0,110.69842,106.185288,184.014884,215.18848,152.30358,89.278848,20.155392,0,0,16.24493305,20.26270678,26.24397374,23.44702555,14.42549669,6.274751507,1.333838715,0,0,2541.80523,2097.013603,4030.522174,5140.414147,3661.458992,2188.016594,554.7529561,0,0,56.75,37.5,54.25,56,46,28,3,0,0,56.21234167,53.57479543,27.54167324,16.86699993,14.72634614,5.718048,1.016064,0,0,148.0863886,191.9945275,124.2642265,84.49932466,72.77054261,50.78728864,31.08374443,0,0,7.379894667,7.584663429,7.36059536,7.172949333,7.252551429,7.439904,6.718464,0,0,1.082995537,1.447336198,1.04975895,0.781567518,0.686928414,0.522895959,0.444612905,0,0,169.453682,149.7866859,161.220887,171.3471382,174.3551901,182.3347162,184.917652,0,0,3.783333333,2.678571429,2.17,1.866666667,2.19047619,2.333333333,1,0,0,0.221463872,-0.100613777,-0.030158905,0.016432609,0.011322932,-0.022190869,0.014476074,0,0,476.9038497,-65.66428988,-205.3403696,10.64104747,10.00488171,-34.51124805,46.41805345,0,0,665.1575892,-80.97945498,-321.9485115,-25.78042202,-27.158369,59.52809795,63.75986495,0,0,1.034995733,-0.103350151,-0.159895289,-0.017675733,-0.050654293,-0.223464853,0.037542453,0,0,2.896898448,-0.288018268,-1.322907936,-0.282437247,-0.312574207,0.528072509,0.229415925,0,0,16.06108614,-1.477481838,-7.038127154,-1.840667446,-2.063026849,3.227370407,1.161389809,0,0,23,-3,-3.5,-1,0.25,-5,0.75,0,0,0.014764258,-0.007186698,-0.001206356,5.48E-04,5.39E-04,-0.001849239,0.004825358,0,0,31.79358998,-4.69030642,-8.213614782,0.354701582,0.476422938,-2.875937338,15.47268448,0,0,44.34383928,-5.784246784,-12.87794046,-0.859347401,-1.293255667,4.960674829,21.25328832,0,0,0.068999716,-0.007382154,-0.006395812,-5.89E-04,-0.002412109,-0.018622071,0.012514151,0,0,0.193126563,-0.020572733,-0.052916317,-0.009414575,-0.014884486,0.044006042,0.076471975,0,0,1.070739076,-0.105534417,-0.281525086,-0.061355582,-0.098239374,0.268947534,0.387129936,0,0,1.533333333,-0.214285714,-0.14,-0.033333333,0.011904762,-0.416666667,0.25,0,0,-0.486763256,-0.081707878,0.037099977,0.036519765,-0.125251064,0.326826979,0,0,-0.147523649,-0.258341848,0.011156387,0.014984874,-0.090456515,0.486660503,0,0,-0.130440821,-0.290411039,-0.019379184,-0.029164269,0.111868411,0.479283902,0,0,-0.106988175,-0.092693303,-0.008539037,-0.034958249,-0.269886201,0.181365257,0,0,-0.106524618,-0.273998131,-0.048748213,-0.077071149,0.227861158,0.395968186,0,0,-0.098562217,-0.262925948,-0.057302085,-0.091749125,0.251179339,0.361553944,0,0,-0.139751553,-0.091304348,-0.02173913,0.007763975,-0.27173913,0.163043478,0,0,1.375356834,0.821897727,0.682609768,0.955591794,1.778836743,1.101933178,0,0,1.394650417,1.268349503,0.82002349,0.832984371,0.972731675,0,0,0,1.611680217,1.411508446,0.860363598,0.777814511,0.416979426,0,0,0,1.046261318,0.923104559,0.747867302,1.037829721,1.920357031,0,0,0,1.696559902,1.438220674,0.874263773,0.785729024,0.213701818,0,0,0,1.704790797,1.431225051,0.874997207,0.796152674,0.198598347,0,0,0,1.086956522,0.919130435,0.755797101,1,1.927536232,0,0,0,15.58105062,7.915525311,12.90613438,15.73105062,3.146210125,7.916384149,0.25,0.042274287,0.008454857,-1.581788125,20.35201016,4.070402032,1.506589843,15.5839676,7.916616588,12.90787342,15.73352694,3.146705389,7.91747431,0.249265579,0.042152822,0.008430564,-1.583226827,20.37612714,4.075225429,1.507181989,18.17335956,8.88718254,14.62523348,17.93396287,3.586792574,8.887473149,-0.398994478,0.067863368,0.013572674,-1.345129442,18.45809032,3.691618063,1.457751387,15.58702903,7.917761913,12.90969902,15.73612591,3.147225181,7.918618465,0.2484948,0.042025321,0.008405064,-1.58474148,20.4015556,4.08031112,1.507805576,20.92491722,9.921311478,16.81537439,20.27554066,4.055108132,9.921410763,-1.082294264,0.165794853,0.033158971,-0.89850204,16.8959111,3.379182221,1.413535823,15.88658753,8.029860858,13.0905476,15.99046804,3.198093608,8.030611345,0.173134186,0.029457388,0.005891478,-1.762405261,23.67108217,4.734216433,1.582127071,15.0798354,7.873251034,13.0596608,15.4798354,3.09596708,7.87430683,0.666666667,0.07956853,0.015913706,-1.265568308,15.27104498,3.054208996,1.362979275,0,11.99646149,15.99794197,-0.421714133,0.069647739,3.787719458,5.991011473,4,14,14,14,4,0,0,0,0,0,10.93207,3.373406743,2.825330819,2.096684625,1.461330604,1.128640555,0.083923071,0.083923071,0.083923071,1.817379449,1.40522295,0.924562135,0.599915497,0.386668987,0.083923071,0.083923071,0.083923071,3.379324769,2.790711346,2.051643082,1.457496366,1.156467033,0.270913902,0.270913902,0.270913902,1.763125472,1.353771324,0.851363369,0.484188864,0.313824953,0.270913902,0.270913902,0.270913902,3.540932969,3.055207466,2.435249073,1.941863579,1.712950339,0.943918427,0.943918427,0.943918427,1.547645076,1.030923922,0.407980321,0.049432259,0.301168549,0.943918427,0.943918427,0.943918427,3.397390649,2.806465896,2.075989672,1.507823945,1.189855004,0.399277246,0.399277246,0.399277246,1.729770649,1.322120441,0.80419374,0.410376,0.234438588,0.399277246,0.399277246,0.399277246,3.602427822,3.132201332,2.547487102,2.101334039,1.896289791,1.207644823,1.207644823,1.207644823,1.486825757,0.948908366,0.287628636,0.218036002,0.473196859,1.207644823,1.207644823,1.207644823,4.359181399,3.353072127,2.656208105,1.931392827,1.528813409,0.615384615,0.615384615,0.615384615,1.6342312,1.07411322,0.517367472,0.165020013,0.331294806,0.615384615,0.615384615,0.615384615,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,3.568533939,2.023334547,1.077160188,0.511667274,0.158113883,0,0,0,0.713706788,0.505833637,0.359053396,0.255833637,0.158113883,0,0,0,7.423938123,14.76984705,13.97647059,14.2,8.473011976,116.5531018,0.494929208,0.98465647,0.931764706,0.946666667,0.564867465,7.770206786,0.7788,21.9938,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,1,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.736388889,0,8.06625,0,0,0,0,0,0,0,0,0,0,0.736388889,0,0,0,0,0,0,0,0,0,0,0,0,0,1.263611111,0,0,0,0,0,0,0,0,0,0,0,2.051805556,0,2.381944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.06625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.736388889,0,8.06625,0,0,0,0,0,0,0,0,0,0,0.736388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,2.051805556,0,0.34375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.06625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.736388889,0,8.06625,0,0,0,0,0,0,0,0,0,0,0.736388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.051805556,0,1.09375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.06625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.5,2.5,0.736388889,8.06625,0.24,0.34375,2.034477222,1.15625,2.06625,4.236111111,1.15625,2.06625,4.236111111,2.33333,0.46667,0,0.03333,0.48444,0.85333,0.41765,0.48444,0.76111,0.0668,0,-0.0668,0.09222,0.54687,0.16742,0,0.35714,0,0,2.25,0.45,2.25,0.45,0,0,-2.25,-0.45,0,0,3.42343,0.68469,4.09272,0.66929,0.13386,2.07596,0.41519,2.41421,0.33826,0.06765,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4.01,1,1,1,1,1,1,1,1.158938532,1.871602261,2.923231429,3.056564762,2.605788524,2.020934564,17.38407799,28.07403392,43.84847143,45.84847143,39.08682786,30.31401845,0.296639618,0.479051618,0.748224543,0.782352279,0.666972484,0.517274419,2.747952063,2.035288334,0.983659167,0.850325833,1.301102071,1.885956032,0.304394667,0.491575464,0.767785376,0.802805314,0.684409144,0.530797523,10.66110191,15.77621224,18.30169377,16.97044711,15.11875186,8.8032914,18.1875248,14.100286,12.79750363,13.83934112,11.22434889,6.850389104,5,4,4,5,0,4,1.79,0.7309,0,1.650963624,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.385,0.375,0.449,0.205,2.62,3,2,1,0,0,0,0,0,0,15,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,0,0,2.772588722,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.5,4,1,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,20.23,86.5306239,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,74.07316494,4.938210996,8.849873734,1.769974747,2.362436867,2.362436867,0,20,2,0.851,14,1.209285714,2.097852699,2.802889813,3.435509375,4.700723838,4.960986366,0,0,0,0,76.07321488,64.49502832,57.54419705,66.53786126,28.81132937,5.040679651,0,0,0,0,256.146358,277.922541,256.3916296,288.2198231,244.9540464,154.2060323,0,0,0,0,9.195663069,15.50174037,20.19157947,25.37015006,35.33531078,33.3302083,0,0,0,0,1.87702597,2.303263075,2.285379279,2.562517652,2.465664944,2.205718559,0,0,0,0,178.755922,335.1714249,477.8660488,590.3531373,857.3437606,917.3739505,0,0,0,0,3.313392857,4.682994383,5.467251177,8.673297838,11.62481735,4.960986366,0,0,0,0,0.417144579,0.524334944,0.536461801,0.64135583,0.668289869,0.508005004,0,0,0,0,323.6297928,176.355474,16.30006711,167.566408,-91.31190632,-22.58662632,156.0633847,267.6673803,38.88669344,0.658860537,0.359032651,0.033184432,0.341139463,-0.185897013,-0.045982901,158.9657247,86.62513883,8.006531038,82.30798301,-44.85206147,-11.09446504,0.384863517,0.726159519,13.29882006,27.31854242,419.0209812,72.1752196,0.853062342,0.146937658,283.9246063,16.8500625,6.572556742,389.1388631,19.72660293,7.300762184,396.9481567,19.92355783,7.34927666,1.902541647,1.902541647,257.2527102,241.6123145,28.99894346,1.064733438,8.871106305,8.331762665,3.213164655,3.220194404,5.518792456,0.713807231,3.224442391,3.228352994,3.300854476,9.519065378,3.396591357,0.093761667,2.839393096,4.428327212,0.957153261,2.036328689,1.76E-10,3.08E-42,1.04E-95,6.80E-171,8.56E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290510157,3.355246562,0.300972894,2.297657719,0.025975326,0.023726242,0.34105391,0.194190715,0.133717689,0.216562637,1.96E-11,3.44E-43,1.16E-96,7.60E-172,9.57E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.81835312,3.119021011,0.71493495,2.770282347,0.254564647,0.018976335,0.636498796,0.73049226,0.131717498,0.381618839,3.40E-11,5.96E-43,2.02E-96,1.32E-171,1.66E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.266568655,3.354890369,3.606201414,8.970129942,3.027715508,0.091348411,3.300700798,4.083943143,0.894944248,2.51910812,2.21E-10,3.87E-42,1.31E-95,8.54E-171,1.07E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.139201109,3.029262083,0.916235511,3.350983291,0.547896848,0.021814432,0.728049073,1.188207541,0.183336436,0.387045622,3.37E-11,5.91E-43,2.00E-96,1.30E-171,1.64E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.074611356,3.308579144,4.464332488,12.82309986,4.946913721,0.131044127,3.950430227,5.95734363,1.372053915,2.973853707,2.56E-10,4.50E-42,1.52E-95,9.93E-171,1.25E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.20739713,3.998451051,4.605003377,6.304014578,1.291534239,0.088302127,5.048163791,2.26515694,0.761689797,4.426730606,3.99E-10,7.00E-42,2.37E-95,1.54E-170,1.94E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.104441872,0.78641944,0.44182761,0.716516216,0.181508401,0.576245927,0.594575939,0.533317806,4.332688922,4.160483392,9.571847342,0.574774324,1.704139672,3.36698612,0.301284008,0.090126323,0.895857093,0.080162913,0.677266333,0.085943812,0.022191348,3.758396452,1.345026772,5.194849085,0.84378564,0.785401493,2.938599034,0.513967512,0.241847197,0.795416875,0.139120182,0.516295335,0.253968102,0.159794747,3.694413744,2.345337977,6.40502429,0.693125312,0.930058184,3.2066033,0.761186791,0.423547943,0.730210992,0.173338237,0.614349862,0.556610173,0.490100939,4.391338034,4.121373408,9.546517459,0.595316487,1.661060974,2.832999009,0.609286106,0.312306376,0.754542542,0.162277603,0.480727587,0.355730608,0.266466172,3.754591491,2.801154526,7.094820219,0.631813813,1.102924367,3.158375872,0.815250757,0.463012791,0.711884734,0.183754117,0.596282243,0.638980155,0.585688044,4.43663942,4.414708278,10.04354467,0.5678271,1.820950441,3.213782887,0.762421491,0.424669256,0.730260206,0.173243214,0.617115045,0.558451698,0.492699389,4.400873634,4.138828895,9.580251406,0.595390309,1.668266132 +UMLS0002,L,Ethanol,CCO,702,,"Sandia, UML",[6],C2H6O,PubChem,,19,0,-0.1076,0.01157776,12.5551,8.322758,0,0,9,3,6,0,2,0,1,0,0,0,0,0,0,0,550.592627,413.090542,301.124757,68.616576,3.048192,0,0,0,0,1249.927047,1381.943116,1279.511439,609.4474637,93.25123329,0,0,0,0,68.743532,62.633728,98.555868,89.278848,20.155392,0,0,0,0,8.888681429,10.23072954,10.86859345,6.274751507,1.333838715,0,0,0,0,1548.54591,1230.9347,2182.117776,2188.016594,554.7529561,0,0,0,0,48.25,27,38,28,3,0,0,0,0,61.17695856,51.63631775,23.16344285,5.718048,1.016064,0,0,0,0,138.880783,172.7428895,98.42395687,50.78728864,31.08374443,0,0,0,0,7.638170222,7.829216,7.581220615,7.439904,6.718464,0,0,0,0,0.98763127,1.278841192,0.83604565,0.522895959,0.444612905,0,0,0,0,172.0606567,153.8668375,167.8552136,182.3347162,184.917652,0,0,0,0,5.361111111,3.375,2.923076923,2.333333333,1,0,0,0,0,0.212328611,-0.099523291,-0.015583991,-0.006955538,0.015898515,0,0,0,0,314.7756536,-63.89650894,-116.86383,-27.32296963,50.69548181,0,0,0,0,363.4566524,-88.00132618,-193.0207684,42.54529023,56.74847822,0,0,0,0,0.966731556,-0.138220938,-0.184296691,-0.230362963,0.069514815,0,0,0,0,1.521513891,-0.379058755,-0.895815807,0.344245746,0.169871871,0,0,0,0,8.524803221,-2.095152562,-5.003585488,2.03320091,0.80313553,0,0,0,0,21.55555556,-4.382716049,-2.663580247,-5.296296296,1.564814815,0,0,0,0,0.023592068,-0.012440411,-0.001198769,-5.80E-04,0.005299505,0,0,0,0,34.97507262,-7.987063617,-8.989525387,-2.276914136,16.89849394,0,0,0,0,40.38407248,-11.00016577,-14.84775142,3.545440852,18.91615941,0,0,0,0,0.107414617,-0.017277617,-0.014176669,-0.019196914,0.023171605,0,0,0,0,0.169057099,-0.047382344,-0.068908908,0.028687145,0.056623957,0,0,0,0,0.947200358,-0.26189407,-0.384891191,0.169433409,0.267711843,0,0,0,0,2.395061728,-0.547839506,-0.204890788,-0.441358025,0.521604938,0,0,0,0,-0.527313308,-0.050812357,-0.024568774,0.224630796,0,0,0,0,-0.228364461,-0.25702664,-0.065101055,0.483158223,0,0,0,0,-0.272388719,-0.367663549,0.087793049,0.468406435,0,0,0,0,-0.160849777,-0.131980813,-0.178717888,0.215721152,0,0,0,0,-0.280274207,-0.407607304,0.169689091,0.334939835,0,0,0,0,-0.276492791,-0.406346121,0.178878109,0.282634863,0,0,0,0,-0.228737113,-0.085547185,-0.184278351,0.217783505,0,0,0,0,1.362086589,0.843193013,1.018268754,0.640857691,0,0,0,0,1.343757467,1.164942368,0.842140789,0,0,0,0,0,1.710703317,1.313971252,0.436062266,0,0,0,0,0,1.071077068,1.025644043,1.174834241,0,0,0,0,0,1.907253819,1.380918473,0.232502442,0,0,0,0,0,1.929307462,1.384601509,0.213810057,0,0,0,0,0,1.136597938,0.984932593,1.175257732,0,0,0,0,0,4.730475337,2.490237669,4.158938287,4.81380867,1.60460289,2.625920833,0.25,0.039532628,0.013177543,-0.969188679,5.769144711,1.923048237,0.525757152,4.732622817,2.490944198,4.16047066,4.815711343,1.605237114,2.626501376,0.249265579,0.039389126,0.013129709,-0.970279649,5.778099001,1.926033,0.526222421,6.642353015,3.121679268,5.787958589,6.509354855,2.169784952,3.185504841,-0.398994478,0.02741894,0.009139647,-1.078956376,5.910236074,1.970078691,0.533005733,4.734876667,2.491685733,4.162079956,4.817708267,1.605902756,2.627110844,0.2484948,0.039238659,0.013079553,-0.971427844,5.787544407,1.929181469,0.526712428,8.671219128,3.794462432,7.741981671,8.310454374,2.770151458,3.825778388,-1.082294264,0.034659876,0.011553292,-1.008651773,4.697206729,1.565735576,0.464090406,4.955509715,2.56432195,4.324553094,5.01322111,1.671073703,2.687570852,0.173134186,0.025291661,0.008430554,-1.103184163,7.024877856,2.341625952,0.584837348,3.685520208,2.176093437,3.518853542,3.90774243,1.30258081,2.390542919,0.666666667,0.190604592,0.063534864,-0.497266259,3.74944391,1.249814637,0.396482262,0,11.99668808,15.99794144,-0.422125211,0.066940864,3.312473146,4.351780764,2,8,8,8,2,0,0,0,0,0,6.559242,3.159863642,2.133604852,1.244091518,0.083923071,0.083923071,0.083923071,0.391069962,0.911191698,1.651500167,0.911191698,0.391069962,0.083923071,0.083923071,0.083923071,1.244091518,2.133604852,3.122199848,2.025860671,1.192988938,0.270913902,0.270913902,0.270913902,0.33638398,0.8681387,1.608985968,0.8681387,0.33638398,0.270913902,0.270913902,0.270913902,1.192988938,2.025860671,3.353704786,2.463557672,1.770563932,0.943918427,0.943918427,0.943918427,0.287845774,0.386634713,1.326619389,0.386634713,0.287845774,0.943918427,0.943918427,0.943918427,1.770563932,2.463557672,3.133535153,2.034425485,1.20896877,0.399277246,0.399277246,0.399277246,0.275176497,0.840005264,1.58367639,0.840005264,0.275176497,0.399277246,0.399277246,0.399277246,1.20896877,2.034425485,3.417682016,2.562928599,1.93180127,1.207644823,1.207644823,1.207644823,0.449104874,0.271694726,1.257501492,0.271694726,0.449104874,1.207644823,1.207644823,1.207644823,1.93180127,2.562928599,4.148507172,2.890490184,1.719796312,0.571428571,0.571428571,0.571428571,0.270744147,0.49630498,1.390375691,0.49630498,0.270744147,0.571428571,0.571428571,0.571428571,1.719796312,2.890490184,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.707106781,1.414213562,0.707106781,0,0,0,0,0,0.902368927,0.707106781,0.707106781,0,0,0,0,0,2.154320377,1.023334547,0.316227766,0,0,0,0,0,0.718106792,0.511667274,0.316227766,0,0,0,0,0,4.340282516,8.994173343,8.525490196,8.68,4.875902994,70.49659162,0.482253613,0.999352594,0.947276688,0.964444444,0.541766999,7.832954624,-0.0014,12.7598,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,6,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.838888889,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0.838888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.761111111,0,0,0,0,0,0,0,0,0,0,0,1.680555556,0,0.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.838888889,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0.838888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,1.680555556,0,0.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.838888889,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0.838888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.680555556,0,0.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.5,3.166666667,0.838888889,7.569444444,0.311111111,0.25,0.8465,1.25,1.569444444,3.138888889,1.25,1.569444444,3.138888889,1.33333,0.44444,0,0.05556,0.51852,0.95556,0.40909,0.51852,0.79167,0.10943,0,-0.10943,0.16389,0.46511,0.24918,0,0.625,0,0,1.25,0.41667,1.25,0.41667,0,0,-1.25,-0.41667,0,0,1.38742,0.46247,1.91421,0.52679,0.1756,1.05409,0.35136,1.41421,0.36012,0.12004,0,0,0,0,0,2.01,1,1,1,1,1,1,1,1.224394445,1.879964949,2.419381946,2.067168057,0.880534723,0,11.01955001,16.91968454,21.77443751,18.60451251,7.924812504,0,0.386253443,0.593062911,0.763230027,0.652118916,0.277777778,0,1.945530556,1.289960053,0.750543056,1.102756945,2.289390279,3.169925001,0.408131482,0.626654983,0.806460649,0.689056019,0.293511574,0,11.81312432,14.91653023,15.46016819,11.23360152,0.887424935,0,10.94402779,9.752038633,9.945865283,7.832581948,1.93717639,0,3,2,0,3,0,2,1.57,0.4491,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.385,0.375,0.449,0.205,1.622,1,0,0,0,0,0,0,0,0,6,1.098612289,0.693147181,0,0,0,0,0,0,0,0,1.945910149,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,1,0,1,2,1,0.5,0,0,0,0,0,0,0,0,0,0.25,0,0,0,0,0,0,0,0,0,0.25,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,20.23,51.93865465,2.584962501,1.945910149,2.197224577,2.564949357,2.833213344,3.218875825,3.496507561,3.891820298,4.17438727,4.574710979,33.89759936,1.609437912,0,2.197224577,0,2.833213344,0,3.496507561,0,4.17438727,4.852030264,46.04186481,5.115762757,4.914213562,1.638071187,2.207106781,2.207106781,0,4,0,-0.076,6,1.179,2.039621484,2.690252074,2.585857014,0,0,0,0,0,0,71.46196751,52.41409996,15.50586807,2.627396221,0,0,0,0,0,0,223.1511392,210.8454762,135.2663874,80.37811856,0,0,0,0,0,0,9.260396696,15.56323393,20.09991093,17.37298726,0,0,0,0,0,0,1.603234363,1.754174552,1.384289066,1.149705399,0,0,0,0,0,0,179.3332147,340.3084459,491.758025,478.1706075,0,0,0,0,0,0,4.107,6.269674325,6.420524916,2.585857014,0,0,0,0,0,0,0.382271138,0.444686467,0.373633365,0.264791758,0,0,0,0,0,0,298.7437975,130.7948074,15.7399288,107.7993422,-47.19627428,-19.16417319,190.9444552,177.9910817,34.90410199,0.734839106,0.321724301,0.038716503,0.265160894,-0.116091676,-0.047139335,121.4522414,53.17373165,6.398960071,43.82508304,-19.18732153,-7.791063138,0.478992453,0.904455144,13.48908246,37.42616424,337.0019819,69.54115779,0.828945194,0.171054806,159.761468,12.63967832,5.426136078,226.2275805,15.04086369,6.093243262,194.2362104,13.93686516,5.791308925,1.246666748,1.090791249,59.27156138,50.14278498,15.82885798,1.182055632,3.744525438,3.167808128,2.219699476,2.151830091,3.096569067,0.439039765,2.108840177,1.333680365,2.703243702,0.34122013,4.709543889,1.71E-07,7.15E-36,5.78E-86,8.99E-158,2.70E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.196885394,1.458312793,0.256709768,0.192020866,0.115613464,1.91E-08,8.00E-37,6.46E-87,1.01E-158,3.02E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.516120971,1.222238178,0.568159037,0.119127664,0.440305257,3.31E-08,1.39E-36,1.12E-86,1.74E-158,5.23E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.213531168,1.459969432,3.046176936,0.37723783,4.48345045,2.15E-07,8.98E-36,7.25E-86,1.13E-157,3.39E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.69376653,1.13267509,0.695984081,0.100706218,0.776250224,3.28E-08,1.37E-36,1.11E-86,1.72E-158,5.18E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.727360118,1.414950657,3.723437008,0.462486214,6.870082256,2.50E-07,1.04E-35,8.44E-86,1.31E-157,3.95E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.2191444,2.054710013,3.67844634,0.66748152,2.822856921,3.35E-07,1.40E-35,1.13E-85,1.76E-157,5.29E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.065241611,0.726116837,0.369336683,0.493008752,0.336057052,0.720983372,0.532985397,0.444427299,2.160695131,1.435104257,3.88147757,0.243598707,1.698396068,1.181393591,0.271029468,0.072730521,0.774606313,0.177706344,0.762014049,0.067458172,0.017234125,1.52515358,0.425827962,1.974269308,0.661909469,0.846706346,0.988721554,0.483275124,0.207480959,0.588707781,0.287753236,0.593756192,0.231844115,0.140253055,1.679477637,0.783235814,2.561852943,0.383061672,0.965853362,1.105275958,0.699305181,0.348849548,0.513262843,0.324740046,0.727510236,0.480281895,0.396489936,2.153430688,1.40245252,3.825517816,0.269894265,1.604282067,0.950314392,0.569455504,0.272197704,0.530318959,0.317782254,0.608255515,0.330915281,0.241393046,1.7919676,0.954839638,2.894110227,0.295478438,1.180563843,1.087144233,0.749813252,0.38394547,0.48950551,0.337616396,0.738982019,0.565250844,0.480280478,2.220902956,1.520446659,4.054324743,0.240682859,1.784513342,1.102789892,0.700746855,0.350245722,0.512024732,0.325356374,0.726813979,0.483250842,0.399669968,2.153782468,1.404457578,3.828901726,0.268037099,1.609734789 +UMLS0003,L,Methanol,CO,887,,"Sandia, UML",[11],CH4O,PubChem,,20,0,-0.358,0.128164,8.2613,5.229172,0,0,6,2,4,0,1,0,1,0,0,0,0,0,0,0,404.296378,244.612245,63.536256,3.048192,0,0,0,0,0,764.2426564,728.9529818,454.0287415,93.25123329,0,0,0,0,0,47.766088,40.857948,55.686528,20.155392,0,0,0,0,0,5.210555619,5.214740916,4.051686983,1.333838715,0,0,0,0,0,1051.91625,797.8952482,1263.428334,554.7529561,0,0,0,0,0,44,24,23,3,0,0,0,0,0,67.38272967,48.922449,9.076608,1.016064,0,0,0,0,0,127.3737761,145.7905964,64.86124879,31.08374443,0,0,0,0,0,7.961014667,8.1715896,7.955218286,6.718464,0,0,0,0,0,0.868425937,1.042948183,0.578812426,0.444612905,0,0,0,0,0,175.319375,159.5790496,180.489762,184.917652,0,0,0,0,0,7.333333333,4.8,3.285714286,1,0,0,0,0,0,0.212264811,-0.091355781,-0.047677616,0.032900991,0,0,0,0,0,233.1814173,-61.77513911,-111.1229059,56.30733633,0,0,0,0,0,211.4578948,-96.9700467,-57.31729009,48.55838938,0,0,0,0,0,0.905117333,-0.186389778,-0.389390222,0.123221333,0,0,0,0,0,0.808707478,-0.497045051,-0.015307557,0.10799887,0,0,0,0,0,4.571362259,-2.898124217,0.164475656,0.447967432,0,0,0,0,0,20,-4,-9,3,0,0,0,0,0,0.035377469,-0.018271156,-0.006811088,0.010966997,0,0,0,0,0,38.86356956,-12.35502782,-15.87470084,18.76911211,0,0,0,0,0,35.24298247,-19.39400934,-8.188184299,16.18612979,0,0,0,0,0,0.150852889,-0.037277956,-0.055627175,0.041073778,0,0,0,0,0,0.13478458,-0.09940901,-0.002186794,0.035999623,0,0,0,0,0,0.76189371,-0.579624843,0.023496522,0.149322477,0,0,0,0,0,3.333333333,-0.8,-1.285714286,1,0,0,0,0,0,-0.516463074,-0.192526156,0.309999488,0,0,0,0,0,-0.317907695,-0.408472537,0.482948744,0,0,0,0,0,-0.550294214,-0.232335169,0.459272419,0,0,0,0,0,-0.247114628,-0.368751139,0.272277038,0,0,0,0,0,-0.737539936,-0.016224363,0.267090073,0,0,0,0,0,-0.760768643,0.030839633,0.195988594,0,0,0,0,0,-0.24,-0.385714286,0.3,0,0,0,0,0,1.312730146,1.080870425,0.290085433,0,0,0,0,0,1.294769238,1.218021973,0,0,0,0,0,0,1.875735535,0.803046046,0,0,0,0,0,0,1.117786571,1.344438164,0,0,0,0,0,0,2.34384984,0.468678686,0,0,0,0,0,0,2.401921607,0.427198852,0,0,0,0,0,0,1.1,1.357142857,0,0,0,0,0,0,1.520690633,0.885345316,1.520690633,1.520690633,0.760345316,1.374619918,0.25,0.116645086,0.058322543,-0.429723881,1.423933815,0.711966908,0.070684667,1.522019058,0.885642318,1.522019058,1.522019058,0.761009529,1.374663895,0.249265579,0.116197865,0.058098933,-0.430492162,1.42385866,0.71192933,0.07067411,2.82629418,1.213649851,2.82629418,2.82629418,1.41314709,1.518441839,-0.398994478,0.100074773,0.050037387,-0.460367528,1.421348848,0.710674424,0.070321263,1.523413905,0.885954353,1.523413905,1.523413905,0.761706953,1.374710416,0.2484948,0.11572933,0.057864665,-0.431300235,1.423780245,0.711890122,0.070663096,4.302924411,1.610315073,4.302924411,4.302924411,2.151462206,1.803703154,-1.082294264,0.179302178,0.089651089,-0.343736551,1.437509777,0.718754888,0.072582459,1.662769901,0.917952044,1.662769901,1.662769901,0.831384951,1.381024879,0.173134186,0.073727015,0.036863508,-0.521477199,1.418072904,0.709036452,0.069859768,0.942809042,0.804737854,0.942809042,0.942809042,0.471404521,1.412728607,0.666666667,0.5411961,0.27059805,-0.122794718,1.681792831,0.840896415,0.103972077,0,11.99697344,15.99794118,-0.425376469,0.058873558,2.666419116,3.111580884,1,5,5,5,1,0,0,0,0,0,4.372828,2.895253422,1.467222867,0.083923071,0.083923071,0.422129468,1.440471707,0,0,1.440471707,0.422129468,0.083923071,0.083923071,1.467222867,2.895253422,0,0,2.78828793,1.301659972,0.270913902,0.270913902,0.412515058,1.420805936,0,0,1.420805936,0.412515058,0.270913902,0.270913902,1.301659972,2.78828793,0,0,3.124589437,1.910087997,0.943918427,0.943918427,0.227544262,1.043722059,0,0,1.043722059,0.227544262,0.943918427,0.943918427,1.910087997,3.124589437,0,0,2.786516176,1.285682826,0.399277246,0.399277246,0.385003765,1.408401225,0,0,1.408401225,0.385003765,0.399277246,0.399277246,1.285682826,2.786516176,0,0,3.190334858,2.034113601,1.207644823,1.207644823,0.364834772,0.964607512,0,0,0.964607512,0.364834772,1.207644823,1.207644823,2.034113601,3.190334858,0,0,3.822102613,2.143230483,0.5,0.5,0.162376365,1.127709461,0,0,1.127709461,0.162376365,0.5,0.5,2.143230483,3.822102613,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,1,0,0,0,0,0,0,1,1,0,0,0,0,0,0,1.447213595,0.447213595,0,0,0,0,0,0,0.723606798,0.447213595,0,0,0,0,0,0,2.798454712,6.106336489,5.8,5.92,3.077348503,47.46833653,0.466409119,1.017722748,0.966666667,0.986666667,0.512891417,7.911389421,-0.3915,8.1428,1,2,2,1,1.407605964,0,0,0,1.414213562,0.707106781,0.069314718,2,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.95,0,7,0,0,0,0,0,0,0,0,0,0,0.95,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.95,0,7,0,0,0,0,0,0,0,0,0,0,0.95,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.95,0,7,0,0,0,0,0,0,0,0,0,0,0.95,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,4,0.95,7,0.45,1,0.432,1,1,2,1,1,2,0.83333,0.41667,0,0.08334,0.56111,1.08334,0.4,0.56111,0.82222,0.16111,0,-0.16111,0.26111,0.38461,0.32968,0,1,0,0,0.75,0.375,0.75,0.375,0,0,-0.75,-0.375,0,0,0.54433,0.27216,1,0.45567,0.22784,0.54433,0.27216,1,0.45567,0.22784,0,0,0,0,0,1.01,1,1,1,1,1,1,1,1.251629167,1.79248125,1.79248125,0.930827083,0,0,7.509775004,10.7548875,10.7548875,5.584962501,0,0,0.484196257,0.693426404,0.693426404,0.36009307,0,0,1.333333333,0.79248125,0.79248125,1.654135417,2.584962501,2.584962501,0.539047342,0.771979655,0.771979655,0.400885404,0,0,12.45399398,12.99907825,12.99907825,0.938110835,0,0,7.59147917,7.962406252,7.962406252,1.930827083,0,0,2,0,0,1,0,0,1.46,0.3082,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.385,0.375,0.449,0.205,1.123,0,0,0,0,0,0,0,0,0,3,0.693147181,0,0,0,0,0,0,0,0,0,1.386294361,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,2,2,1,1.407605964,0,0,0,1.414213562,0.707106781,0.069314718,20.23,34.64267003,2,1.098612289,1.098612289,1.098612289,1.098612289,1.098612289,1.098612289,1.098612289,1.098612289,1.098612289,12.8875106,1.098612289,0,1.098612289,0,1.098612289,0,1.098612289,0,1.098612289,2.564949357,32.02621475,5.337702458,3,1.5,2,2,0,1,0,-0.499,2,1.1366,1.935542304,2.458364266,0,0,0,0,0,0,0,65.00622117,18.26778853,2.497855429,0,0,0,0,0,0,0,176.9578328,127.8001557,76.41516655,0,0,0,0,0,0,0,9.351023774,15.52859921,16.51643182,0,0,0,0,0,0,0,1.219926115,1.123193053,1.093020477,0,0,0,0,0,0,0,180.1414244,349.4267527,454.5949478,0,0,0,0,0,0,0,5.8308,6.596882011,2.458364266,0,0,0,0,0,0,0,0.33344832,0.325796136,0.251736501,0,0,0,0,0,0,0,261.5449188,104.3425331,17.3715687,82.61718636,-32.95986992,-32.95986992,178.9277324,137.302403,50.33143862,0.759946882,0.303178449,0.050474961,0.240053118,-0.095768446,-0.095768446,90.01384984,35.91074584,5.978635654,28.43370478,-11.34353822,-11.34353822,0.524707104,1,17.43460902,82.61718636,228.3176023,115.8445029,0.663401342,0.336598658,97.6798989,9.883314166,4.605411069,144.7719392,12.03212114,5.250832088,97.6798989,9.883314166,4.605411069,1.24880221,1.24880221,20.56735502,19.8374098,4.100793719,1.036796398,5.01545711,4.83745615,1.526238185,1.920479602,2.658420877,0.384248431,1.55103907,0.382801071,3.803393005,0.162582422,1.71E-05,3.48E-31,1.37E-78,1.03E-147,1.51E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.150073012,0.509820955,0.318973065,0.001145082,1.21E-07,2.45E-33,9.62E-81,7.27E-150,1.06E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.365004897,0.273586727,0.672649686,0.01193263,1.26E-06,2.56E-32,1.00E-79,7.58E-149,1.10E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.687012425,0.509352231,4.292833729,0.144858012,1.53E-05,3.10E-31,1.22E-78,9.20E-148,1.34E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.471049241,0.183816763,0.811358085,0.025919267,2.73E-06,5.55E-32,2.18E-79,1.65E-148,2.40E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.053734499,0.462969311,5.418696998,0.237111183,2.50E-05,5.08E-31,1.99E-78,1.51E-147,2.20E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.489857088,1.148234846,4.08306532,0.04064561,4.28E-06,8.71E-32,3.41E-79,2.58E-148,3.76E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844851144,0.299652649,0.278723025,0.593616655,0.21054455,0.552303319,0.326717962,0.333333333,1.423226818,0.572161443,2.065950307,0.390424983,1.212354615,0.709626536,0.091001624,0.052609602,0.831686745,0.106654473,0.585009612,0.033838791,0.011875806,0.853237762,0.106697896,0.963333036,0.747530117,0.630724209,0.672880327,0.210057973,0.161896368,0.644006509,0.201044222,0.387193901,0.194546606,0.112462378,1.044834668,0.284288381,1.352006109,0.466009763,0.694202885,0.839156786,0.296322764,0.258510287,0.601981998,0.212571682,0.557139413,0.341891149,0.286740283,1.393989837,0.542194402,2.000465732,0.402972996,1.185770846,0.706874105,0.241332494,0.216981135,0.606661128,0.207118979,0.390313808,0.219024545,0.202011923,1.165187734,0.376334634,1.578537547,0.409991692,0.811350276,0.865681689,0.308496199,0.286875063,0.592505349,0.211146488,0.579902852,0.346356308,0.353117018,1.461052951,0.603901866,2.141567531,0.388758023,1.279376178,0.837859059,0.29634228,0.261302836,0.600398819,0.212354994,0.552789334,0.337855044,0.29296875,1.395504175,0.544663091,2.005046948,0.400598229,1.183613128 +UMLS0004,L,n-Propanol,CCCO,1031,,"Sandia, UML",[6],C3H8O,PubChem,,15,0,-0.6854,0.46977316,16.0871,11.416344,0,0,12,4,8,0,3,0,1,0,0,0,0,0,0,0,696.888876,581.568839,494.833294,309.253269,68.616576,3.048192,0,0,0,1735.611438,2034.933251,2193.058551,1528.181395,609.4474637,93.25123329,0,0,0,89.720976,84.409508,141.285376,152.30358,89.278848,20.155392,0,0,0,12.56680724,15.24671816,18.5562836,14.42549669,6.274751507,1.333838715,0,0,0,2045.17557,1663.974151,3106.319975,3661.458992,2188.016594,554.7529561,0,0,0,52.5,32.25,45,46,28,3,0,0,0,58.074073,52.86989445,26.04385758,14.72634614,5.718048,1.016064,0,0,0,144.6342865,184.9939319,115.4241343,72.77054261,50.78728864,31.08374443,0,0,0,7.476748,7.673591636,7.436072421,7.252551429,7.439904,6.718464,0,0,0,1.047233937,1.386065287,0.976646505,0.686928414,0.522895959,0.444612905,0,0,0,170.4312975,151.2703774,163.490525,174.3551901,182.3347162,184.917652,0,0,0,4.375,2.931818182,2.368421053,2.19047619,2.333333333,1,0,0,0,0.217026391,-0.100885917,-0.026567368,0.025323518,-0.020907211,0.014523782,0,0,0,395.928108,-64.994009,-162.036018,12.969973,-31.904,48,0,0,0,514.4985023,-83.59670822,-254.7602477,-32.94320824,52.96816353,61.08274955,0,0,0,1.005444,-0.116045,-0.165161,-0.039271,-0.230632,0.048387,0,0,0,2.213391858,-0.321809643,-1.07713566,-0.368742892,0.454951784,0.206040482,0,0,0,12.32382793,-1.706534756,-5.806729951,-2.416646497,2.748673595,1.019323642,0,0,0,22.41666667,-3.506944444,-3.951388889,0.479166667,-5.25,1.020833333,0,0,0,0.018085533,-0.009171447,-0.001398283,0.001205882,-0.001742268,0.004841261,0,0,0,32.994009,-5.908546273,-8.528211474,0.617617762,-2.658666667,16,0,0,0,42.87487519,-7.599700747,-13.40843409,-1.568724202,4.414013627,20.36091652,0,0,0,0.083787,-0.010549545,-0.008692684,-0.001870048,-0.019219333,0.016129,0,0,0,0.184449322,-0.029255422,-0.056691351,-0.017559185,0.037912649,0.068680161,0,0,0,1.026985661,-0.155139523,-0.305617366,-0.115078405,0.229056133,0.339774547,0,0,0,1.868055556,-0.318813131,-0.207967836,0.02281746,-0.4375,0.340277778,0,0,0,-0.507115117,-0.077314976,0.0666766,-0.096334879,0.26768692,0,0,0,-0.179079368,-0.258477576,0.018719088,-0.080580286,0.484936523,0,0,0,-0.177253012,-0.312734067,-0.036588426,0.102951055,0.474891564,0,0,0,-0.125909096,-0.10374741,-0.022319066,-0.229383238,0.19250003,0,0,0,-0.15860954,-0.307354617,-0.095197885,0.20554507,0.372352472,0,0,0,-0.151062989,-0.29758679,-0.112054539,0.223037323,0.330846437,0,0,0,-0.170665765,-0.111328507,0.012214551,-0.234200743,0.182156134,0,0,0,1.373588803,0.828733536,0.7355153,1.420866705,0.88278808,0,0,0,1.374108413,1.225386496,0.788344417,0.920602608,0,0,0,0,1.646057103,1.379922723,0.790098298,0.423564655,0,0,0,0,1.053425153,0.955075097,0.839404757,1.553199714,0,0,0,0,1.765768429,1.419546911,0.808001949,0.219759587,0,0,0,0,1.778171464,1.414712711,0.815249035,0.203361888,0,0,0,0,1.104089219,0.962042653,0.806160382,1.553903346,0,0,0,0,9.436347219,4.843173609,7.973149273,9.561347219,2.390336805,4.859074871,0.25,0.047305819,0.011826455,-1.220448784,8.113795335,2.028448834,0.837426296,9.438954437,4.844110008,7.974815567,9.563587226,2.390896807,4.859992727,0.249265579,0.047164977,0.011791244,-1.221641472,8.113993232,2.028498308,0.837436052,11.74463569,5.672820608,9.680698805,11.54513845,2.886284614,5.678948819,-0.398994478,0.064669834,0.016167459,-1.095384171,10.67732694,2.669331735,0.947249006,9.441690741,4.84509277,7.976565015,9.565938141,2.391484535,4.860956056,0.2484948,0.047017157,0.011754289,-1.22289708,8.114205505,2.028551376,0.837446517,14.18213106,6.549918397,11.84239416,13.64098393,3.410245982,6.552360016,-1.082294264,0.131663139,0.032915785,-0.811003438,15.67652603,3.919131508,1.100865775,9.709291821,4.941213004,8.150918699,9.795858914,2.448964729,4.955306329,0.173134186,0.032566995,0.008141749,-1.369782376,8.158234171,2.039558543,0.839611098,8.628179484,4.647423075,7.730225728,8.961512817,2.240378204,4.670393392,0.666666667,0.099774923,0.024943731,-0.921935361,7.014155172,1.753538793,0.77917211,0,11.99654878,15.99794171,-0.421734983,0.06940086,3.629588158,5.362254858,3,11,11,11,3,0,0,0,0,0,8.745656,3.295074073,2.558186649,1.693064967,1.165187119,0.083923071,0.083923071,0.083923071,0.083923071,1.756765994,1.210417063,0.689354378,0.387254117,0.083923071,0.083923071,0.083923071,0.083923071,3.286704795,2.493944958,1.641898074,1.165693778,0.270913902,0.270913902,0.270913902,0.270913902,1.706059039,1.163697924,0.600720609,0.319309321,0.270913902,0.270913902,0.270913902,0.270913902,3.471885261,2.824623271,2.110612408,1.729746219,0.943918427,0.943918427,0.943918427,0.943918427,1.467474198,0.778325847,0.083361015,0.29863039,0.943918427,0.943918427,0.943918427,0.943918427,3.302741229,2.506561968,1.67399618,1.193770616,0.399277246,0.399277246,0.399277246,0.399277246,1.675343617,1.134276972,0.54425677,0.245844131,0.399277246,0.399277246,0.399277246,0.399277246,3.534410558,2.909521409,2.246249391,1.905730969,1.207644823,1.207644823,1.207644823,1.207644823,1.403651274,0.684348486,0.064396503,0.467656294,1.207644823,1.207644823,1.207644823,1.207644823,4.283919275,3.202029034,2.259907779,1.58277142,0.6,0.6,0.6,0.6,1.545007308,0.830686129,0.263261865,0.310327795,0.6,0.6,0.6,0.6,0,0,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,2.861427158,1.523334547,0.723606798,0.223606798,0,0,0,0,0.715356789,0.507778182,0.361803399,0.223606798,0,0,0,0,5.88211032,11.8820102,11.25098039,11.44,6.674457485,93.52484671,0.49017586,0.990167516,0.937581699,0.953333333,0.55620479,7.793737226,0.3887,17.3768,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.776388889,0,7.875,0,0,0,0,0,0,0,0,0,0,0.776388889,0,0,0,0,0,0,0,0,0,0,0,0,0,1.023611111,0,0,0,0,0,0,0,0,0,0,0,1.930555556,0,1.194444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.776388889,0,7.875,0,0,0,0,0,0,0,0,0,0,0.776388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.930555556,0,0.319444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.776388889,0,7.875,0,0,0,0,0,0,0,0,0,0,0.776388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.930555556,0,0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,2.75,0.776388889,7.875,0.2625,0.319444444,1.409722222,1.180555556,1.875,3.75,1.180555556,1.875,3.75,1.83333,0.45833,0,0.04167,0.49722,0.89167,0.41429,0.49722,0.77333,0.08294,0,-0.08294,0.11833,0.51402,0.20027,0,0.45454,0,0,1.75,0.4375,1.75,0.4375,0,0,-1.75,-0.4375,0,0,2.35011,0.58753,2.95465,0.60455,0.15114,1.57596,0.39399,1.91421,0.33826,0.08456,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3.01,1,1,1,1,1,1,1,1.188721876,1.947338796,2.855388542,2.855388542,2.257894792,0.798746875,14.26466251,23.36806555,34.26466251,34.26466251,27.09473751,9.584962501,0.331585582,0.54319642,0.796490491,0.796490491,0.629823824,0.222804806,2.396240625,1.637623705,0.729573959,0.729573959,1.327067709,2.786215626,0.343617682,0.562907151,0.825392393,0.825392393,0.652677966,0.230889627,11.17145733,16.29155673,17.20671199,17.20671199,10.03678699,0.804997095,14.509775,11.24139657,11.28947396,11.28947396,7.70451146,1.798746875,4,3,4,4,0,3,1.68,0.59,0,1.414213562,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.385,0.375,0.449,0.205,2.121,2,1,0,0,0,0,0,0,0,10,1.386294361,1.098612289,0.693147181,0,0,0,0,0,0,0,2.397895273,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.333333333,3,1,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,20.23,69.23463928,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,60.05751488,5.004792906,6.871320344,1.717830086,2.310660172,2.310660172,0,10,1,0.282,10,1.198272727,2.077931494,2.770800689,3.292850868,4.213152135,0,0,0,0,0,74.39639766,60.36207915,49.05203673,22.50305571,4.280832211,0,0,0,0,0,244.1480966,254.9751241,212.8978008,181.3061656,130.9605442,0,0,0,0,0,9.21920257,15.52277764,20.20184536,25.10873145,28.30591095,0,0,0,0,0,1.777465386,2.115417001,1.941439794,1.765717314,1.87322181,0,0,0,0,0,178.9658466,336.9288268,481.7114633,599.2994685,779.0862005,0,0,0,0,0,3.601977273,5.087890486,6.483367856,8.801775674,4.213152135,0,0,0,0,0,0.404463327,0.497086781,0.484693426,0.486419157,0.431426779,0,0,0,0,0,284.445133,139.8236403,12.9365236,171.8633705,-84.48224034,-22.10573609,112.5817625,224.3058806,35.04225969,0.623361456,0.306423482,0.028350389,0.376638544,-0.185142814,-0.048444717,129.794733,63.80271605,5.903045726,78.42271739,-38.54996466,-10.08703535,0.42664308,0.805009682,8.711475957,32.07314073,396.0479213,60.2605822,0.867938945,0.132061055,221.8430372,14.89439617,6.053621557,307.6832218,17.5409014,6.75099736,293.6101966,17.13505753,6.646459733,1.677287708,1.515443914,136.0812843,125.5418916,20.56870743,1.083951202,6.615937574,6.103538203,2.717285248,2.359935319,4.338526665,0.838409142,2.666641284,2.279835686,3.00452129,5.39886256,1.948515719,0.040413221,0.457740448,0.159716805,1.99E-19,5.17E-59,2.60E-120,2.51E-203,4.69E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.243697775,2.406771359,0.278855958,1.290270579,0.015619095,0.023349419,0.00525256,0.016570296,2.22E-20,5.78E-60,2.90E-121,2.81E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.667237046,2.170542916,0.641725243,1.551658909,0.147879911,0.015062923,0.035880019,0.02945474,3.85E-20,1.00E-59,5.03E-121,4.87E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.740049911,2.406377657,3.32838215,5.190543721,1.737397863,0.043864114,0.41418606,0.196134843,2.50E-19,6.50E-59,3.26E-120,3.16E-203,5.89E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.91648382,2.08078031,0.806503065,1.861412137,0.316550466,0.013300876,0.073738521,0.030229186,3.81E-20,9.92E-60,4.98E-121,4.82E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.400985737,2.360042533,4.09749016,7.271374028,2.835544617,0.053247833,0.66739869,0.233242025,2.91E-19,7.56E-59,3.79E-120,3.67E-203,6.85E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.747819299,3.032747502,4.224055298,4.060335625,0.707520573,0.084291752,0.196399551,0.322921198,4.30E-19,1.12E-58,5.61E-120,5.43E-203,1.01E-307,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.000479428,0.72965547,0.414643513,0.636127309,0.232021267,0.549427903,0.576621567,0.499982783,3.14477841,2.59169348,6.341710753,0.454190964,1.626032252,2.194508398,0.25899201,0.083458598,0.865015317,0.102087582,0.671409015,0.071261427,0.02025571,2.536959006,0.773125846,3.357519393,0.797522975,0.762926153,1.862886801,0.479390351,0.229168144,0.724451267,0.186428368,0.48328045,0.244547241,0.152726287,2.571445295,1.429825263,4.20592916,0.5866769,0.880553978,2.080510248,0.698576205,0.395276199,0.655410385,0.220068178,0.59454836,0.528303585,0.45436684,3.174362651,2.551901682,6.300756766,0.483115578,1.577218785,1.777471658,0.579413715,0.297656048,0.669596505,0.218272622,0.43876844,0.358627235,0.257652714,2.65454142,1.731432641,4.692527482,0.504394758,1.055048388,2.044064561,0.752754688,0.433213348,0.632830939,0.233048635,0.572813825,0.614506241,0.545769121,3.230032597,2.750298612,6.646907568,0.449246408,1.733089187,2.082595003,0.699550154,0.396388767,0.655206159,0.220085791,0.595614904,0.529887156,0.456928216,3.178533923,2.559690741,6.315715394,0.482809238,1.582430276 +UMLS0005,L,Toluene,CC1=CC=CC=C1,1140,Averaged sensitivity values,"Sandia, UML","[1], [3]",C7H8,PubChem,,14.5,0,1.8498,3.42176004,35.2378,17.654344,6,6,15,7,8,0,7,0,0,0,0,0,0,0,0,0,1017.977359,1106.705551,1314.553304,943.312445,311.816905,56.556864,3.048192,0,0,3213.288268,3882.511243,4972.96246,4307.178581,2225.930359,707.6164209,93.25123329,0,0,106.531324,109.724668,173.008736,192.693812,167.254372,82.21824,20.155392,0,0,23.07920324,28.43065448,38.12111474,35.7667492,21.71110508,8.011080479,1.333838715,0,0,2366.901709,2112.540874,3559.700925,4129.848247,3966.563997,2091.831407,554.7529561,0,0,34.77777778,42,58,58.66666667,39.66666667,16,3,0,0,67.86515727,73.78037007,54.77305433,34.93749796,12.99237104,4.713072,1.016064,0,0,214.2192178,258.8340829,207.2067692,159.5251326,92.74709829,58.96803508,31.08374443,0,0,7.102088267,7.314977867,7.208697333,7.136807852,6.968932167,6.85152,6.718464,0,0,1.538613549,1.895376965,1.588379781,1.324694415,0.904629378,0.66759004,0.444612905,0,0,157.7934473,140.8360583,148.3208719,152.9573425,165.2734999,174.3192839,184.917652,0,0,2.318518519,2.8,2.416666667,2.172839506,1.652777778,1.333333333,1,0,0,0.043872186,7.57E-04,-0.012880025,-0.02024884,-0.005060112,0.01035384,0.005141992,0,0,451.9797669,3.06E-13,-37.12690943,-264.7310063,-93.62438029,90.39595339,79.09645921,0,0,840.4756768,5.68E-14,-69.03907345,-492.2786107,-174.0985331,168.0951354,147.0832434,0,0,0.088539733,9.45E-16,-0.007272907,-0.051858987,-0.018340373,0.017707947,0.015494453,0,0,3.75731733,1.11E-16,-0.308636781,-2.200714436,-0.778301447,0.751463466,0.657530533,0,0,20.40980737,4.71E-14,-1.676519891,-11.95431575,-4.227745812,4.081961474,3.57171629,0,0,3.481481481,-0.37037037,0.222222222,-2,-0.777777778,0.592592593,0.592592593,0,0,0.002924812,5.05E-05,-5.37E-04,-7.50E-04,-2.11E-04,8.63E-04,0.001713997,0,0,30.13198446,2.04E-14,-1.546954559,-9.804852087,-3.901015846,7.532996116,26.3654864,0,0,56.03171179,3.79E-15,-2.876628061,-18.23254114,-7.254105544,14.00792795,49.02774782,0,0,0.005902649,6.30E-17,-3.03E-04,-0.001920703,-7.64E-04,0.001475662,0.005164818,0,0,0.250487822,7.40E-18,-0.012859866,-0.081507942,-0.032429227,0.062621956,0.219176844,0,0,1.360653825,3.14E-15,-0.069854995,-0.442752435,-0.176156076,0.340163456,1.190572097,0,0,0.232098765,-0.024691358,0.009259259,-0.074074074,-0.032407407,0.049382716,0.197530864,0,0,0.017255851,-0.183487905,-0.256412017,-0.072085992,0.295000125,0.586019573,0,0,6.76E-16,-0.051339286,-0.325396825,-0.129464286,0.25,0.875,0,0,6.76E-17,-0.051339286,-0.325396825,-0.129464286,0.25,0.875,0,0,1.07E-14,-0.051339286,-0.325396825,-0.129464286,0.25,0.875,0,0,2.95E-17,-0.051339286,-0.325396825,-0.129464286,0.25,0.875,0,0,2.31E-15,-0.051339286,-0.325396825,-0.129464286,0.25,0.875,0,0,-0.106382979,0.039893617,-0.319148936,-0.13962766,0.212765957,0.85106383,0,0,0.944384683,1.097895847,1.248592783,0.984799144,0.548670436,0.184499874,0,0,1,1.015625,1.25,1.015625,0.625,0,0,0,1,1.015625,1.25,1.015625,0.625,0,0,0,1,1.015625,1.25,1.015625,0.625,0,0,0,1,1.015625,1.25,1.015625,0.625,0,0,0,1,1.015625,1.25,1.015625,0.625,0,0,0,1.117021277,0.875,1.265957447,1.042553191,0.670212766,0,0,0,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,19.08329983,9.350309923,13.70634192,19.07921819,2.725602599,9.350652787,-0.028571429,0.188653171,0.026950453,-1.167491516,74.42522834,10.63217548,3.016856482,0,11.85,12.15006846,-0.210179625,0.089903792,5.768181322,7.500882457,7,15,12,9,1,3,0,0,0,6,8.745656,3.765416021,2.875673982,2.619181914,2.07300089,0.941428501,0.758222679,0.307866889,0.083923071,1.968342676,1.412036142,1.082250302,0.83114831,0.310513972,0.232961051,0.083923071,0.083923071,3.777737878,2.906585378,2.645815032,2.132252827,1.053336623,0.88274137,0.445525863,0.270913902,1.93529437,1.327827619,1.007167592,0.732846177,0.150156259,0.065219542,0.270913902,0.270913902,3.833794233,3.054562707,2.771820215,2.377281051,1.517793787,1.392274143,0.956863265,0.943918427,1.845410498,1.08613326,0.798620231,0.42315009,0.396843083,0.515592156,0.943918427,0.943918427,3.786906761,2.930047673,2.665925019,2.175105381,1.134811365,0.973074417,0.541478295,0.399277246,1.914955466,1.274383397,0.960278991,0.668747584,0.041902902,0.048582902,0.399277246,0.399277246,3.862417112,3.132507981,2.838078588,2.48756005,1.721464227,1.611361544,1.207644823,1.207644823,1.819269484,1.015368102,0.738564276,0.317644508,0.594311107,0.729436768,1.15957793,1.207644823,3.790012053,2.946255921,2.705142425,2.218788872,1.217490681,1.055013792,0.592427746,0.512195122,1.905765741,1.228574674,0.905650187,0.616845831,0.056187812,0.148687862,0.512195122,0.512195122,0,0,0,5,1,1,0,0,0,0,0,0,0.102062073,0.102062073,0,0,0,0.032075015,0.032075015,0.288675135,0,0,0,0.166666667,0,0,0,0.40824829,0.433012702,0.40824829,0.19245009,0.166666667,0.12830006,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,4.386751346,2.410683603,1.654700538,0.940455735,0.534377897,0.303561201,0.06415003,0,0.626678764,0.344383372,0.206837567,0.117556967,0.066797237,0.03794515,0.032075015,0,9.167311215,14.55134741,13.90196078,14.04,10.19421796,112.3411042,0.611154081,0.970089828,0.926797386,0.936,0.679614531,7.489406946,1.71462,30.082,25.81164286,34.91599912,51.62328572,7.374755103,25.81164286,0.063309915,0.009044274,-1.931799329,26.80913824,3.829876892,2.302119966,45,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,5,0,0,0,0,0,0,0,0,1,0,0,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.58333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.153194444,0,0,0,0,2.153194444,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,10.26157407,0,0,0,0,1.321759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.321759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,0,0,0,0.422222222,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,2.020833333,0,0,0,0,1.321759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.44,0,0,0,0,0.44,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,2.083333333,0,0,0,0,1.321759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.952380952,0.44,2.083333333,0.1875,1.321759259,4.2325625,0.344907407,0.083333333,0.689814815,0.344907407,0.083333333,0.689814815,3.5,0.5,0,0,0.48667,0.7,0.43333,0.43333,0.7,0.05333,0.05333,0,0,0.71429,0,0,0.14286,0.14286,0,9.5,1.35714,3.5,0.5,6,0.85714,2.5,0.35714,0,0,2.78594,0.39799,6.62679,3.84085,0.54869,1.35326,0.19332,3.39384,2.04058,0.29151,0.02016,0.00288,0.10616,0.01517,0.4,7,0,0,0,0,0,0,0.142857143,0.996791632,2.041946032,2.36559623,2.872905595,3.006238929,2.872905595,14.95187448,30.62919048,35.48394346,43.09358393,45.09358393,43.09358393,0.255136817,0.522652473,0.605493339,0.735343242,0.769470978,0.735343242,2.910098964,1.864944563,1.541294365,1.033985,0.900651667,1.033985,0.23904306,0.489684115,0.567299467,0.688958577,0.720933573,0.688958577,6.644859528,13.59134937,17.47515175,20.00524452,18.12080749,17.98643082,25.42029908,23.00989851,20.1702396,17.55180316,19.08518437,19.33943645,5.142857143,2.34375,1.5,0,6,0,2.23,0.8573,0,1.850535862,1,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,3.42,8,8,8,8,2,0,0,0,0,48,2.397895273,2.862200881,3.248434627,3.640870235,4.037553728,2.784239339,0,0,0,0,5.119489699,3.463541667,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,0,3,4,0.333333333,1,0.444444444,0.1875,0.111111111,0,0,0,0,0,0,0.142857143,0.055555556,0.0375,0.111111111,0,0,0,0,0,0,0.34702381,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,0,98.46251628,3.807354922,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,71.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.388905171,92.06260026,6.137506684,13.67682532,1.953832189,0,0,0,42,5,2.474,30,1.228620249,2.169154658,3.027831434,3.853973214,4.915824513,5.732538454,0,0,0,0,99.32603367,128.0621471,108.3484474,53.40161996,22.78420042,5.824625951,0,0,0,0,338.2845852,473.5341237,493.9717822,373.1626646,286.9769563,178.1887602,0,0,0,0,9.015098242,15.68185143,21.64853859,26.91873561,33.6670341,38.51385323,0,0,0,0,2.438709299,3.585189849,4.088898066,3.601267001,3.258569141,2.548760574,0,0,0,0,171.3052152,318.6294216,460.0733268,632.2284801,858.0250833,1060.047551,0,0,0,0,3.548368201,5.411829214,6.690545286,6.535514595,6.51977092,5.732538454,0,0,0,0,0.50095289,0.743748609,0.861549758,0.779102857,0.724083456,0.587011938,0,0,0,0,208.2127183,81.74242267,10.12659926,86.98696994,-34.15029457,-4.981305312,121.2257484,115.8927172,15.10790457,0.705328381,0.276905518,0.034304234,0.294671619,-0.115685402,-0.016874358,61.46432953,24.13033769,2.989368944,25.67852641,-10.08115631,-1.470479775,0.157976185,0.157267841,4.078381183,2.126720455,295.1996882,0,1,0,540.6395164,23.25165621,8.146466238,619.1973665,24.88367671,8.523337786,835.3178834,28.90186643,9.417824499,1.625780523,1.625780523,271.5903268,186.8193823,88.14246263,1.453758831,3.081265472,2.119516255,3.353501576,3.785389562,5.736871498,0.515530014,2.639615722,1.872839511,3.296951735,6.216241405,0.015703019,3.157315437,2.29777692,2.688998165,0.825492883,0.375694394,0.002381322,8.99E-26,7.25E-70,1.22E-135,4.17E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.221634264,1.872778166,0.264726363,2.197550668,0.001775231,0.201910116,0.225303301,0.183764026,0.005841898,0.00332421,1.68E-05,6.33E-28,5.10E-72,8.58E-138,2.93E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.715195829,1.87278246,0.86181118,2.581673168,0.004617971,0.527812427,0.645135184,0.620760562,0.060658147,0.029316176,1.75E-04,6.60E-27,5.32E-71,8.94E-137,3.06E-224,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.49158863,1.872832845,3.103588779,5.815914726,0.014850293,2.878267242,2.169768042,2.509318058,0.735518496,0.335203897,0.002121715,8.01E-26,6.46E-70,1.09E-135,3.71E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.054010371,1.872787851,1.278180992,2.974871487,0.006569488,0.833887752,0.934287994,0.942828509,0.131688984,0.062009847,3.80E-04,1.43E-26,1.16E-70,1.94E-136,6.64E-224,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.187693417,1.872867498,4.021667165,7.873673,0.018860369,4.301913645,2.773023213,3.384147424,1.203812838,0.545702985,0.003472934,1.31E-25,1.06E-69,1.78E-135,6.08E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.385029616,1.731608989,1.598808389,3.496679939,0.008476251,1.164904998,1.218200876,1.267785269,0.216658126,0.100875263,6.25E-04,2.36E-26,1.90E-70,3.19E-136,1.09E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.276735353,1.690829113,0.111499579,0.645145508,0.332901711,0.564606018,0.467262948,0.133353426,5.079064045,6.094280878,11.79109714,0.467718262,1.165222392,2.057805299,0.939027824,0.01829864,0.682492661,0.311438404,0.222676311,0.144105854,0.003591677,3.015131763,1.987174403,5.037665294,0.523738991,0.370373842,2.464919506,1.190124521,0.049427124,0.665390391,0.321267051,0.319499195,0.231486165,0.026205323,3.704471151,3.114219461,6.963688102,0.498085586,0.577190682,3.237395043,1.666565162,0.108491571,0.645870561,0.332485027,0.551130214,0.453947533,0.126255341,5.012451776,5.92736814,11.52516772,0.468805842,1.131333088,2.675228073,1.319836862,0.065507585,0.658830266,0.325037136,0.37634438,0.284699912,0.046030073,4.060572519,3.792571679,8.084442611,0.488245399,0.707074364,3.403949887,1.769291301,0.121226558,0.642925795,0.334177369,0.609296818,0.511638516,0.157635178,5.294467747,6.649713149,12.67427741,0.465654746,1.278570512,3.235853692,1.665539947,0.108220252,0.645928761,0.332468726,0.550605604,0.453388455,0.125624649,5.009613891,5.919873642,11.51273448,0.468893141,1.129618707 +UMLS0006,L,"1,3,3-Trimethyl-2-oxabicyclo[2,2,2]octane",CC1(C2CCC(O1)(CC2)C)C,2758,Sandia values from co-optima database which were from NREL measurements,Sandia,,C10H18O,PubChem,,8,0,1.3109,1.71845881,44.0326,30.404274,0,0,29,11,18,0,10,0,1,0,0,0,0,0,0,0,1716.898363,2044.896772,3524.888924,3198.922376,1743.551887,480.561984,45.72288,0,0,5011.067194,6905.887116,11362.32757,13333.77574,10471.24292,5498.202944,1398.768499,0,0,209.689228,223.590304,452.404256,666.263984,722.805244,551.847168,302.33088,0,0,36.53523629,50.61147758,84.03984844,105.7684249,96.90557935,59.65056297,20.00758072,0,0,4781.912583,4330.836077,9386.541768,13937.03653,16802.45851,13648.78841,8321.294341,0,0,56.15277778,61.5,119.8958333,178.25,156.1666667,108,45,0,0,59.20339183,68.16322573,57.78506433,36.35139064,17.09364595,6.0070248,1.016064,0,0,172.7954205,230.1962372,186.2676651,151.5201789,102.6592443,68.7275368,31.08374443,0,0,7.230663034,7.453010133,7.416463213,7.571181636,7.086325922,6.8980896,6.718464,0,0,1.259835734,1.687049253,1.377702433,1.20191392,0.9500547,0.745632037,0.444612905,0,0,164.8935373,144.3612026,153.8777339,158.3754152,164.7299854,170.6098551,184.917652,0,0,1.936302682,2.05,1.965505464,2.025568182,1.531045752,1.35,1,0,0,0.167264344,-0.073527632,0.083666717,-0.111467043,-0.017716438,0.002541959,0.032870266,0,0,896.4160179,71.46936194,489.5899147,-978.7484897,-646.0343433,-220.8236558,836.3392031,0,0,1461.016271,34.6937145,405.0116723,-984.1870181,-987.1645617,-554.6112726,1355.74933,0,0,1.131541793,0.062493869,0.375979401,-1.20716682,-0.305949341,0.146603054,0.362268942,0,0,6.517919588,-0.140565125,0.310678789,-2.311225902,-3.820596509,-2.828533415,5.531282368,0,0,35.84969153,-1.264651137,-0.837810387,-9.344443952,-19.7896399,-15.89146903,29.20316864,0,0,8.091475096,-2.497886114,7.28914817,-9.548652398,-1.564077157,-1.440084555,3.715814507,0,0,0.005767736,-0.002450921,0.001371586,-0.001266671,-1.74E-04,3.18E-05,7.30E-04,0,0,30.91089717,2.382312065,8.026064175,-11.12214193,-6.333670032,-2.760295697,18.58531563,0,0,50.3798714,1.15645715,6.639535612,-11.18394339,-9.678083938,-6.932640907,30.12776289,0,0,0.039018683,0.002083129,0.006163597,-0.013717805,-0.002999503,0.001832538,0.008050421,0,0,0.224755848,-0.004685504,0.005093095,-0.026263931,-0.037456829,-0.035356668,0.122917386,0,0,1.23619626,-0.042155038,-0.013734597,-0.106186863,-0.194016077,-0.198643363,0.648959303,0,0,0.279016383,-0.08326287,0.119494232,-0.108507414,-0.01533409,-0.018001057,0.082573656,0,0,-0.424936417,0.237803103,-0.219613199,-0.030114167,0.005509005,0.126644207,0,0,0.077070298,0.259651609,-0.359812977,-0.20490088,-0.089298466,0.601254487,0,0,0.022954746,0.131789451,-0.221992297,-0.192102196,-0.137607356,0.598011905,0,0,0.053387988,0.15796527,-0.351570168,-0.076873517,0.04696566,0.206322213,0,0,-0.020847085,0.022660567,-0.116855383,-0.166655635,-0.157311447,0.546892938,0,0,-0.034100603,-0.011110369,-0.085898062,-0.156946016,-0.16068918,0.524964623,0,0,-0.298415705,0.428269592,-0.388892626,-0.054957668,-0.064516129,0.295945546,0,0,1.406884894,1.125649192,2.461755723,0.672089471,0.123779043,8.64E-04,0,0,1.151026223,0.892329825,1.552380399,1.101564639,0.850850321,0,0,0,1.31635931,1.022683988,1.262370673,1.131134506,0.970764483,0,0,0,0.856101064,1.138033029,2.605209683,0.696815277,0.132041787,0,0,0,1.404920635,1.151443377,1.173018206,1.103594967,0.972775578,0,0,0,1.425687376,1.193500687,1.165351317,1.088404357,0.960720957,0,0,0,1.332907172,0.707923093,2.289204714,0.777230762,0.526274046,0,0,0,46.02260821,22.54667998,30.2749052,46.09079002,4.19007182,22.54667998,0.25,0.023747278,0.002158843,-4.114316082,68.05060712,6.186418829,4.642276816,46.02915674,22.55008913,30.28096493,46.09713826,4.190648933,22.55008913,0.249265579,0.023795501,0.002163227,-4.112084621,68.07571944,6.188701767,4.642682668,54.02873286,25.72667029,36.39961263,53.84737173,4.895215612,25.72667029,-0.398994478,0.01131903,0.001029003,-4.929396927,383.211901,34.83744554,6.543446913,46.03603419,22.55366757,30.28732802,46.1038055,4.191255045,22.55366757,0.2484948,0.023845788,0.002167799,-4.109762461,68.10227319,6.191115745,4.643111652,64.95050291,29.36249539,43.63649678,64.45855097,5.85986827,29.36249539,-1.082294264,0.024779916,0.00225272,-4.067493979,149.0597685,13.55088805,5.504782092,46.73154968,22.9060629,30.92509281,46.78632073,4.253301884,22.9060629,0.173134186,0.027315937,0.002483267,-3.960313455,71.59289406,6.508444915,4.698095406,53.40921998,25.75410254,34.89810799,53.50782176,4.864347433,25.75410254,0.229563492,0.093716631,0.008519694,-2.604227572,209.2970429,19.0270039,5.878129951,0,11.9,15.99491714,-0.368355868,0.069415429,6.6308125,9.395160228,12,30,30,30,12,0,0,0,0,0,21.593726,3.822380682,3.179340431,2.884349746,2.750129472,2.333552793,2.164759997,1.896210057,1.456797487,2.046489885,1.641435063,1.428259117,1.372874417,1.249629723,1.004515947,0.666206401,0.495223245,3.79643358,3.206601582,2.879776005,2.792995694,2.405454588,2.221203886,1.736203775,1.556142907,2.030082219,1.570985808,1.350913032,1.285229005,1.134540686,0.89928396,0.522081792,0.447163139,3.907395045,3.338902552,3.073060885,2.981537655,2.704236987,2.501804746,2.143565666,1.9628467,1.885603619,1.364728906,1.082012932,1.018928274,0.76031856,0.546907314,0.037619229,0.007417982,3.797746308,3.227567069,2.897990123,2.824624264,2.457539916,2.267352413,1.715824434,1.62787375,2.019647776,1.526450946,1.303459499,1.228596505,1.058262671,0.83084779,0.449646964,0.425347018,3.935199322,3.40544036,3.148525687,3.072480534,2.838982085,2.623951434,2.199479475,2.141548494,1.856172619,1.303661179,1.007363966,0.933903671,0.631337262,0.428734629,0.071158965,0.135164289,3.921433978,3.314611061,3.070519248,2.849225422,2.70797144,2.541832909,2.305887929,1.744477468,1.972209106,1.425714357,1.1655301,1.142131709,0.813234598,0.688124771,0.270278054,0.126453005,0,0,0,0,0,3,4,3,0,0,0,0,0.174230856,0.609807997,0,0,0,0.131094349,0.397825987,2.121591078,0.380900841,0.348461713,0.102062073,1.513576315,0.219913203,0.262188697,0.058925565,3.256855881,5.35204404,6.709033879,2.410603378,3.597301421,4.376298497,8.112884175,5.019385278,5.750291757,4.180269215,3.517264412,2.528874655,1.712415274,0.441768244,0.737534925,0.418282106,0.287514588,0.174177884,0.113460142,0.066549333,0.050365155,0.031554875,7.814025684,4.720526787,4.929691518,3.535888693,2.744104673,1.955481389,1.288451253,0.316059248,0.710365971,0.393377232,0.246484576,0.147328696,0.088519506,0.051460037,0.037895625,0.022575661,15.59124934,28.32119446,26.87843137,27.24,17.66722994,222.1515114,0.537629288,0.976592913,0.926842461,0.939310345,0.609214826,7.660396944,2.7441,45.527,54.94304499,71.59820998,109.88609,9.989644543,54.94304499,0.066494758,0.006044978,-2.981695376,103.9707594,9.451887214,5.108520669,82,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,4,0,0,0,1,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.060185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.391666667,0,0,0,0,0,0,0,0,0,0,0,6.756550926,0,5.314675926,0,0,0,0.823449074,0,0,0,0,0,0.378472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.060185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.060185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,2.244282407,0,1.278865741,0,0,0,0.823449074,0,0,0,0,0,0.157986111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.060185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.060185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,2.267986111,0,1.378472222,0,0,0,0.823449074,0,0,0,0,0,0.220486111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.060185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.33333333,1.757575758,0.311111111,6.060185185,-0.291666667,0.157986111,5.923195347,1.092013889,2.560185185,6.633472222,1.092013889,2.560185185,6.633472222,5.33333,0.48485,0,0.01515,0.47816,0.7697,0.44194,0.47816,0.7697,0.03623,0,-0.03623,0,0.62992,0.08437,0,0.28125,0.09375,0.1875,6.5,0.59091,6.5,0.59091,0,0,-6.5,-0.59091,0,0,13.36651,1.21514,14.57322,1.20671,0.1097,4.61397,0.41945,5.01938,0.40541,0.03686,0.39462,0.03587,0.39462,0.03587,0.275862069,34.01,1,1,1,1,0,0,1,1.124259237,1.76096246,2.67576677,2.951628839,3.020594357,3.115590477,32.60351788,51.06791133,77.59723634,85.59723634,87.59723634,90.35212385,0.231425203,0.362488544,0.550798114,0.607583447,0.62177978,0.641334431,3.733721758,3.097018535,2.182214225,1.906352156,1.837386638,1.742390518,0.229118464,0.358875427,0.545308015,0.601527338,0.615582169,0.634941908,9.465905526,17.10634419,19.54446894,19.82248964,20.65007585,21.7900293,40.8077838,28.7807791,27.00105739,26.05431975,24.87170692,22.97503213,7.638888889,2.025,1.111111111,0,0,0,2.45,1.3591,0.944940787,3.888322594,1.190550789,3.464101615,3.301927249,2.828427125,4.298279727,0,1.154700538,0.5,0,0,0,0,0,0,0,0,0,0.003,0.388,0.404,0.415,0.413,4.784,20,24,31,38,34,14,4,0,0,188,2.564949357,3.044522438,3.218875825,3.465735903,3.663561646,3.555348061,2.708050201,1.609437912,0,0,5.241747015,1,0.25,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,3,0,0,0,0,0,0,0,3,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,3,0.25,0,3,4,0.333333333,5,2.222222222,1.25,0.666666667,0,0,0,0,0,0,0.416666667,0.111111111,0.078125,0.095238095,0,0,0,0,0,0,0.701140873,23.73374842,32.48572989,48.49673892,4.408794447,23.73374842,0.027554123,0.00250492,-3.950763421,85.38029676,7.76184516,4.891826893,9.23,165.5936143,4.459431619,4.17438727,5.030437921,5.983936281,6.859614904,7.809947086,8.690305809,9.639326675,10.52085999,11.46944369,93.17825962,3.218875825,0,4.65396035,0,6.315358002,0,8.073714641,0,9.87225485,10.05552171,154.1357652,5.315026386,21.99414927,1.999468116,2.981152345,2.981152345,0,128,16,2.595,64,1.262146406,2.159722857,2.948596541,3.615768247,4.359223799,5.108381791,0,0,0,0,98.50182031,138.3603313,112.338959,67.15446432,27.35372201,5.190442836,0,0,0,0,316.5509914,432.1986079,463.2864494,390.1737872,308.4063939,158.787634,0,0,0,0,9.478124423,16.14600368,22.366925,25.65149619,30.11234413,34.32047916,0,0,0,0,2.259756297,3.132985214,3.648149602,3.565046104,3.320807662,2.271252467,0,0,0,0,180.2055318,328.4364591,464.1845515,591.110726,740.3788839,944.6299664,0,0,0,0,2.654227622,4.46208396,6.051758303,5.636228695,6.002270623,5.108381791,0,0,0,0,0.486541889,0.701763636,0.823274933,0.777658912,0.730795343,0.523098295,0,0,0,0,313.3145696,195.943058,8.509694746,52.58327425,-32.88492958,-3.870329566,260.7312954,228.8279876,12.38002431,0.85628974,0.535513016,0.023257023,0.14371026,-0.08987462,-0.010577623,114.6411255,71.69514246,3.11367896,19.24010667,-12.03252483,-1.416145243,0.106841158,0.588961861,0,3.723598261,359.5755359,6.322307953,0.982721112,0.017278888,834.7681406,28.89235436,9.415758013,1009.13479,31.76688197,10.03035705,1705.851696,41.30195754,11.94851016,1.210655335,1.121875825,477.3270946,454.986925,295.9567346,1.049100685,1.612827278,1.537342699,4.041184936,3.852244731,6.407753101,0.663381625,5.027723382,9.115508799,9.452641122,23.65290362,16.73739974,21.0438234,11.83171519,22.91663133,7.697483707,9.931236993,2.689031779,0.831312703,9.98E-16,2.36E-52,1.10E-110,1.00E-190,1.79E-292,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421582352,9.264692928,1.023614028,14.41900475,2.724035434,5.295830114,0.648284272,1.421510754,0.372625897,0.22232612,0.018939231,0.005855003,7.03E-18,1.66E-54,7.72E-113,7.04E-193,1.26E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,1.360799415,8.546291237,2.549305259,13.67900661,4.636792966,7.789170036,1.958107221,4.749834352,1.380615889,1.120389285,0.197360132,0.061013649,7.33E-17,1.73E-53,8.05E-112,7.34E-192,1.31E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,4.74538701,9.482161499,8.869060137,24.54067629,16.26691029,20.2837189,10.84199982,21.22597417,7.076716677,8.953475756,2.395879014,0.740684652,8.89E-16,2.10E-52,9.77E-111,8.91E-191,1.59E-292,0,0,0,0,0,0,0,0,0,0,0,0,0,2.005837784,8.288357632,3.654570851,13.91351823,6.050493515,9.598496983,3.136229912,7.349148924,2.217220171,2.058664116,0.428692183,0.132529799,1.59E-16,3.76E-53,1.75E-111,1.59E-191,2.85E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,6.073487625,9.478414669,11.69494067,27.95833819,21.70907659,25.96586903,16.04193407,29.60186438,10.19158883,13.9867558,3.921699606,1.212391449,1.46E-15,3.44E-52,1.60E-110,1.46E-190,2.60E-292,0,0,0,0,0,0,0,0,0,0,0,0,0,3.488955425,8.786455106,5.240337786,25.47155657,10.90725146,15.27201232,5.900664787,13.17397749,4.448264726,4.752112529,1.072634009,0.331603959,3.98E-16,9.41E-53,4.37E-111,3.99E-191,7.12E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,3.14211108,1.778346193,1.357103979,0.500530533,0.283286155,0.521304218,0.581665742,0.466913856,6.277561251,12.26533342,26.12606773,0.2507958,1.569883815,2.066239162,1.033029358,0.892288182,0.517652464,0.258803629,0.22595711,0.189914775,0.193383989,3.991556702,4.899926388,10.79605947,0.276478696,0.609255874,2.547442089,1.347847312,1.050819099,0.51503967,0.272506621,0.343098448,0.332703326,0.278331578,4.946108501,7.526807474,16.08096953,0.272559505,0.954133352,3.077815725,1.738457159,1.345842676,0.499473873,0.282120181,0.500192133,0.555094171,0.459113137,6.16211556,11.83259637,25.19584609,0.24921081,1.514399442,2.760328578,1.493193617,1.132377927,0.512510168,0.277241238,0.402683952,0.409782787,0.323976603,5.385900121,8.938299655,18.99152755,0.268765253,1.136443341,3.210053757,1.829632537,1.398866683,0.498567577,0.284168282,0.544011506,0.615715219,0.496364554,6.438552977,12.92306805,27.57747112,0.247851365,1.656091278,3.11543004,1.755191324,1.348590094,0.500936503,0.282220879,0.512478577,0.566134583,0.461049383,6.219211458,12.0366475,25.63018664,0.251404755,1.539662544 +UMLS0008,L,Propane,CCC,6334,"Opted for Sandia value, UML from [4]","Sandia, UML",[4],C3H8,PubChem,,13.9,0,1.0124,1.02495376,20.0003,13.70793,0,0,14,4,10,0,4,0,0,0,0,0,0,0,0,0,587.217124,553.863243,587.221995,227.07216,27.433728,0,0,0,0,2004.905051,2417.916869,2927.143802,2345.012795,839.2610996,0,0,0,0,97.346704,93.797868,168.499308,188.583552,181.398528,0,0,0,0,15.60172905,19.5021431,25.73074786,24.04531372,12.00454843,0,0,0,0,2356.353945,1911.608545,3882.112509,4420.464727,4992.776605,0,0,0,0,23.77777778,27.33333333,39,45,27,0,0,0,0,41.94408029,42.60486485,24.46758313,8.41008,1.016064,0,0,0,0,143.2075037,185.9936053,121.9643251,86.85232572,31.08374443,0,0,0,0,6.953336,7.215220615,7.0208045,6.984576,6.718464,0,0,0,0,1.114409218,1.500164854,1.072114494,0.890567175,0.444612905,0,0,0,0,168.310996,147.0468112,161.7546879,163.7209158,184.917652,0,0,0,0,1.698412698,2.102564103,1.625,1.666666667,1,0,0,0,0,0.019912156,-0.005260684,9.27E-04,-0.020091701,0.014468957,0,0,0,0,345.9028829,-61.76837194,-22.2366139,-355.7858224,266.8393668,0,0,0,0,643.2211813,-114.8609252,-41.34993308,-661.5989293,496.199197,0,0,0,0,0.06776,-0.0121,-0.004356,-0.069696,0.052272,0,0,0,0,2.875497957,-0.513481778,-0.18485344,-2.957655041,2.218241281,0,0,0,0,15.61975054,-2.789241168,-1.00412682,-16.06602913,12.04952184,0,0,0,0,2.317460317,-1.437641723,1.503401361,-2.755102041,1.530612245,0,0,0,0,0.001422297,-4.05E-04,3.86E-05,-7.44E-04,5.36E-04,0,0,0,0,24.70734878,-4.751413226,-0.926525579,-13.17725268,9.88293951,0,0,0,0,45.94437009,-8.835455786,-1.722913878,-24.50366405,18.37774804,0,0,0,0,0.00484,-9.31E-04,-1.81E-04,-0.002581333,0.001936,0,0,0,0,0.205392711,-0.039498598,-0.007702227,-0.109542779,0.082157084,0,0,0,0,1.115696467,-0.214557013,-0.041838618,-0.595038116,0.446278587,0,0,0,0,0.16553288,-0.110587825,0.062641723,-0.102040816,0.056689342,0,0,0,0,-0.284517269,0.027167014,-0.52319391,0.37677599,0,0,0,0,-0.192307692,-0.0375,-0.533333333,0.4,0,0,0,0,-0.192307692,-0.0375,-0.533333333,0.4,0,0,0,0,-0.192307692,-0.0375,-0.533333333,0.4,0,0,0,0,-0.192307692,-0.0375,-0.533333333,0.4,0,0,0,0,-0.192307692,-0.0375,-0.533333333,0.4,0,0,0,0,-0.668071654,0.378424658,-0.616438356,0.342465753,0,0,0,0,1.836900569,0.984166918,1.611121724,0,0,0,0,0,1.75,1.1375,1.516666667,0,0,0,0,0,1.75,1.1375,1.516666667,0,0,0,0,0,1.75,1.1375,1.516666667,0,0,0,0,0,1.75,1.1375,1.516666667,0,0,0,0,0,1.75,1.1375,1.516666667,0,0,0,0,0,2.253424658,0.467465753,1.869863014,0,0,0,0,0,9.291502622,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,-8.88E-16,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9.291502622,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,-8.88E-16,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9.291502622,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,-8.88E-16,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9.291502622,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,-8.88E-16,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9.291502622,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,-8.88E-16,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9.291502622,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,-8.88E-16,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,11.89737866,5.886189331,8.323689331,11.83487866,2.958719666,5.890335365,-0.125,0,0,0,3000000,750000,5.965649139,0,11.89,12.11003668,-0.166165952,0.054292795,5.11729559,6.394051595,3,13,13,13,3,0,0,0,0,0,10.93207,3.367677256,2.333552793,2.333552793,1.050942244,0.083923071,0.083923071,0.083923071,0.083923071,1.844888628,1.249629723,1.249629723,0.405884732,0.083923071,0.083923071,0.083923071,0.083923071,3.400369243,2.405454588,2.405454588,1.16859853,0.270913902,0.270913902,0.270913902,0.270913902,1.776461506,1.134540686,1.134540686,0.250678463,0.270913902,0.270913902,0.270913902,0.270913902,3.543581628,2.704236987,2.704236987,1.635536755,0.943918427,0.943918427,0.943918427,0.943918427,1.57200699,0.76031856,0.76031856,0.28072546,0.943918427,0.943918427,0.943918427,0.943918427,3.424434988,2.457539916,2.457539916,1.25257629,0.399277246,0.399277246,0.399277246,0.399277246,1.732589073,1.058262671,1.058262671,0.145867715,0.399277246,0.399277246,0.399277246,0.399277246,3.612801227,2.838982085,2.838982085,1.834792115,1.207644823,1.207644823,1.207644823,1.207644823,1.507411593,0.631337262,0.631337262,0.475107896,1.207644823,1.207644823,1.207644823,1.207644823,3.41694038,2.571572866,2.571572866,1.289302241,0.545454545,0.545454545,0.545454545,0.545454545,1.723618466,0.935209229,0.935209229,0.073533247,0.545454545,0.545454545,0.545454545,0.545454545,0,0,0,0,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.577350269,0,0,0,0.577350269,0,0,0,0,0,0,0,0,0,3.577350269,1.732050808,1.732050808,0,0,0,0,0,0.894337567,0.577350269,0.577350269,0,0,0,0,0,3.577350269,1.732050808,1.732050808,0,0,0,0,0,0.894337567,0.577350269,0.577350269,0,0,0,0,0,6.709139019,13.43918427,12.62745098,12.8,7.992772455,108.3985808,0.479224216,0.959941733,0.901960784,0.914285714,0.570912318,7.742755774,1.6623,20.512,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.8,0,0,0,0,0,0,0,0,0,0,0,6.5,0,0,0,0,0,0.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.333333333,1.833333333,0.2,2.166666667,0.2,0.833333333,3.162166667,0.5,0.166666667,1,0.5,0.166666667,1,2,0.5,0,0,0.41429,0.7,0.41429,0.41429,0.7,0,0,0,0,0.71429,0,0,0.75,0.25,0,1.5,0.375,1.5,0.375,0,0,-1.5,-0.375,0,0,3.23204,0.80801,3.23204,0,0,1.73204,0.43301,1.73204,0,0,0.18196,0.04549,0.18196,0.04549,0,3,0,0,0,0,0,0,1,0.863120569,1.094914318,1.429911171,1.157957248,0.409776378,0,12.08368796,15.32880046,20.01875639,16.21140147,5.736869286,0,0.226698216,0.287578737,0.375565504,0.304136933,0.107627575,0,2.944234353,2.712440604,2.377443751,2.649397674,3.397578545,3.807354922,0.233248109,0.295887625,0.386416556,0.31292423,0.110737212,0,6.546092095,9.327617094,9.665235307,6.401788231,0.412982891,0,15.86062537,13.67114307,14.16374991,12.53202637,3.687987398,0,4,1.333333333,0,4,0,3,1.9,0.6722,1.5,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,1.542,3,0,0,0,0,0,0,0,0,10,1.386294361,1.386294361,0,0,0,0,0,0,0,0,2.397895273,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,1,0,1,2,1,1.5,0,0,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0.5,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,0,77.7403972,3,2.564949357,2.944438979,3.610917913,4.007333185,4.691347882,5.093750201,5.783825182,6.188264123,6.880384082,48.76521091,1.945910149,0,2.944438979,0,4.007333185,0,5.093750201,0,6.188264123,6.59441346,58.07825032,4.148446451,6.732050808,1.683012702,0,0,0,9,0,2.555,12,1.207615385,2.074292344,2.859768772,3.345220546,0,0,0,0,0,0,61.06881987,58.59234619,24.72585252,3.398958169,0,0,0,0,0,0,247.0820973,276.6206607,253.4684462,103.9819805,0,0,0,0,0,0,8.743989366,14.62175995,19.99856457,22.47474381,0,0,0,0,0,0,1.933556328,2.37188821,2.58752547,1.487328224,0,0,0,0,0,0,175.6597976,331.2416184,466.2690023,618.5903289,0,0,0,0,0,0,2.592461538,3.546572204,4.827138459,3.345220546,0,0,0,0,0,0,0.403174038,0.503720875,0.563550391,0.342550584,0,0,0,0,0,0,303.38177,72.04860789,7.157083375,124.6310057,-29.59798957,-7.357259815,178.7507642,101.6465975,14.51434319,0.708814753,0.168332844,0.016721658,0.291185247,-0.069152117,-0.017189346,129.8512735,30.83772465,3.063323121,53.3436627,-12.66831767,-3.149001195,0.122710093,0.264390249,2.74445919,14.62558684,428.0127757,0,1,0,186.2447074,13.64715016,5.710769702,283.1150683,16.82602354,6.566304143,256.0864727,16.00270204,6.350319059,1.174792123,1.174792123,108.1869239,63.68933332,63.6878559,1.698666296,1.698705702,1.000023198,2.86745198,2.151830091,4.101713045,0.906150984,2.789005534,2.845632767,1.832602745,5.757035126,2.473511415,0.322932325,2.13290188,7.73E-07,5.41E-35,7.30E-85,1.90E-156,9.53E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234061908,2.845426273,0.096940218,3.18530119,0.024648609,0.002641926,0.015022202,5.45E-09,3.81E-37,5.14E-87,1.34E-158,6.71E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.755580372,2.845440465,0.350399822,3.709602305,0.200110502,0.024645551,0.156542931,5.68E-08,3.97E-36,5.36E-86,1.39E-157,7.00E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.632593716,2.845610235,1.690677787,5.599367375,2.208830678,0.287979925,1.900377176,6.89E-07,4.82E-35,6.50E-85,1.69E-156,8.49E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.113586447,2.845458508,0.554329256,4.069709981,0.41688162,0.052629129,0.340032163,1.23E-07,8.63E-36,1.16E-85,3.03E-157,1.52E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368128095,2.845727422,2.398586387,6.341066761,3.583809945,0.469767806,3.110636939,1.13E-06,7.89E-35,1.06E-84,2.77E-156,1.39E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.604254423,2.257589742,0.692400209,5.179687504,0.763890586,0.09750119,0.634582378,2.30E-07,1.61E-35,2.17E-85,5.65E-157,2.84E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.424434498,1.424402379,0.527541276,0.421882394,0.421872881,0.535505238,0.535503266,0.467704298,3.376378154,3.531846931,7.978589394,0.265632912,1.538712803,0.931304952,0.931279515,0.16659022,0.458957505,0.458944969,0.228908814,0.228905825,0.046639885,2.029174688,1.177593581,3.351252838,0.376853712,0.504454524,1.141349124,1.141320841,0.320334133,0.43847381,0.438462944,0.343807812,0.34380504,0.172450677,2.603004098,2.033862645,5.054148573,0.315405132,0.860063529,1.413563919,1.413531947,0.519584448,0.422377935,0.422368381,0.527363002,0.527360989,0.453702066,3.346680315,3.467032805,7.851904033,0.267119474,1.508426057,1.228648316,1.22861885,0.384233641,0.432394146,0.432383777,0.398413377,0.39841079,0.248112841,2.841500806,2.453705189,5.875222229,0.297166885,1.044937008,1.458080728,1.458048153,0.552168968,0.420402397,0.420393005,0.561102108,0.56110027,0.512392141,3.468297849,3.736147786,8.378330308,0.261193102,1.634594519,1.41603164,1.415999592,0.519018798,0.422563563,0.422553999,0.529205895,0.529203855,0.452714751,3.35105003,3.474977671,7.86671241,0.267676343,1.511124501 +UMLS0009,L,Methylpropane,CC(C)C,6360,"RON uses equivlaent mL TEL (+ 0.02); [2] has RON of 110.1, [4] has RON of 102.1; ""2-methylpropane""","Sandia, UML","[1], [3]",C4H10,PubChem,,4.45,0,1.8631,3.47114161,29.4773,19.895102,0,0,20,6,14,0,6,0,0,0,0,0,0,0,0,0,879.809622,890.819837,1216.771087,874.743915,263.650464,27.433728,0,0,0,2976.273833,3723.897138,5204.492852,5587.571361,3464.027594,839.2610996,0,0,0,139.301592,137.349428,254.005756,319.167084,430.448256,181.398528,0,0,0,22.95798067,29.53412034,43.11897672,51.12197259,40.0513783,12.00454843,0,0,0,3349.613265,2777.687448,5741.450732,7002.300698,11077.5002,4992.776605,0,0,0,33.8125,39.375,58.75,83.25,81,27,0,0,0,43.9904811,46.88525458,33.79919686,19.43875367,4.184928,1.016064,0,0,0,148.8136916,195.9945862,144.5692459,124.1682525,54.98456499,31.08374443,0,0,0,6.9650796,7.228917263,7.055715444,7.092601867,6.832512,6.718464,0,0,0,1.147899033,1.554427386,1.197749353,1.136043835,0.635736163,0.444612905,0,0,0,167.4806632,146.1940762,159.4847426,155.6066822,175.8333365,184.917652,0,0,0,1.690625,2.072368421,1.631944444,1.85,1.285714286,1,0,0,0,0.027048336,-0.007822236,0.012698697,-0.033070684,8.65E-05,0.0145836,0,0,0,508.4772378,-59.32234441,150.1218512,-671.9163499,32.68782243,294.1904019,0,0,0,945.5351364,-110.3124326,279.1579927,-1249.457145,60.78440163,547.0596147,0,0,0,0.0996072,-0.01162084,0.02940784,-0.1316238,0.00640332,0.05762988,0,0,0,4.226981996,-0.4931479,1.247966113,-5.585654781,0.271734557,2.445611012,0,0,0,22.96103329,-2.678787217,6.778971734,-30.34136542,1.476066426,13.28459783,0,0,0,3.184375,-2.06578125,2.505625,-2.83359375,-0.72140625,1.52296875,0,0,0,0.001352417,-4.12E-04,3.53E-04,-7.35E-04,1.37E-06,5.40E-04,0,0,0,25.42386189,-3.122228653,4.170051421,-14.93147444,0.518854324,10.89594081,0,0,0,47.27675682,-5.805917504,7.754388685,-27.76571432,0.964831772,20.26146721,0,0,0,0.00498036,-6.12E-04,8.17E-04,-0.002924973,1.02E-04,0.00213444,0,0,0,0.2113491,-0.025955153,0.034665725,-0.124125662,0.004313247,0.090578186,0,0,0,1.148051665,-0.140988801,0.18830477,-0.674252565,0.023429626,0.492022142,0,0,0,0.15921875,-0.108725329,0.069600694,-0.06296875,-0.011450893,0.05640625,0,0,0,-0.304415507,0.26082313,-0.543400581,0.001014699,0.39938378,0,0,0,-0.122807018,0.164021164,-0.587301587,0.020408163,0.428571429,0,0,0,-0.122807018,0.164021164,-0.587301587,0.020408163,0.428571429,0,0,0,-0.122807018,0.164021164,-0.587301587,0.020408163,0.428571429,0,0,0,-0.122807018,0.164021164,-0.587301587,0.020408163,0.428571429,0,0,0,-0.122807018,0.164021164,-0.587301587,0.020408163,0.428571429,0,0,0,-0.68286762,0.437138807,-0.39548577,-0.071919249,0.354268891,0,0,0,1.846346304,0.746388332,1.811746608,0.738389048,8.64E-05,0,0,0,1.666666667,1.005291005,1.80952381,0.646258503,0,0,0,0,1.666666667,1.005291005,1.80952381,0.646258503,0,0,0,0,1.666666667,1.005291005,1.80952381,0.646258503,0,0,0,0,1.666666667,1.005291005,1.80952381,0.646258503,0,0,0,0,1.666666667,1.005291005,1.80952381,0.646258503,0,0,0,0,2.276741904,0.393632101,1.752698724,0.852376279,0,0,0,0,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,26.56077704,13.17483296,19.33341161,26.4200363,4.403339383,13.17483643,-0.211111111,0.108656501,0.018109417,-1.331738243,15.87117691,2.645196152,1.658702815,0,11.89,12.11007471,-0.159565128,0.061612327,5.441369373,8.276237026,5,19,19,19,5,0,0,0,0,0,15.304898,3.536230485,2.795885565,2.333552793,2.333552793,1.693926432,0.465682028,0.083923071,0.083923071,1.921652917,1.500448501,1.249629723,1.249629723,0.81785388,0.083923071,0.083923071,0.083923071,3.56118879,2.847396164,2.405454588,2.405454588,1.785944101,0.570324438,0.270913902,0.270913902,1.863549726,1.406028797,1.134540686,1.134540686,0.682533265,0.270913902,0.270913902,0.270913902,3.672933425,3.068012018,2.704236987,2.704236987,2.161906112,0.966354631,0.943918427,0.943918427,1.695601312,1.110688948,0.76031856,0.76031856,0.231160645,0.943918427,0.943918427,0.943918427,3.579687853,2.885071364,2.457539916,2.457539916,1.852274019,0.643930482,0.399277246,0.399277246,1.826788205,1.34435721,1.058262671,1.058262671,0.591986566,0.399277246,0.399277246,0.399277246,3.728423245,3.171248505,2.838982085,2.838982085,2.327576178,1.207644823,1.207644823,1.207644823,1.644327546,1.013150497,0.631337262,0.631337262,0.071241004,1.124405589,1.207644823,1.207644823,3.546835522,2.964324052,2.591598066,2.591598066,1.911717882,0.614226055,0.558139535,0.558139535,1.844600938,1.249661423,0.917179462,0.917179462,0.500980685,0.558139535,0.558139535,0.558139535,0,0,0,0,0,4,1,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.560660172,0.353553391,0,0,1.060660172,0.353553391,0,1.060660172,0.353553391,0,5.207106781,2.560660172,2.914213562,1.060660172,0,0,0,0,0.86785113,0.512132034,0.416316223,0.353553391,0,0,0,0,5.207106781,2.560660172,2.914213562,1.060660172,0,0,0,0,0.86785113,0.512132034,0.416316223,0.353553391,0,0,0,0,9.792794627,19.21485798,18.07843137,18.32,11.58988144,154.455091,0.489639731,0.960742899,0.903921569,0.916,0.579494072,7.722754551,2.4425,29.746,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,4,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,8.9375,0,1.270833333,0,0,0,0,0,0,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.208333333,0,1.270833333,0,0,0,0,0,0,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.243055556,0,1.270833333,0,0,0,0,0,0,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.75,1.791666667,0.2,2.243055556,0,0.541666667,4.60625,0.708333333,0.243055556,1.875,0.708333333,0.243055556,1.875,3,0.5,0,0,0.42,0.7,0.42,0.42,0.7,0,0,0,0,0.71429,0,0,0.66667,0,0.16667,2.5,0.41667,2.5,0.41667,0,0,-2.5,-0.41667,0,0,6.37132,1.06189,6.37132,0,0,2.56066,0.42678,2.56066,0,0,0.35334,0.05889,0.35334,0.05889,0,5,0,0,0,0,0,0,1,0.881290899,1.256779649,1.833206219,2.319973094,1.887780285,0.928946231,17.62581798,25.13559299,36.66412439,46.39946188,37.75560569,18.57892462,0.203911514,0.29079143,0.424163979,0.536791229,0.436791229,0.214937919,3.440637196,3.065148445,2.488721876,2.001955001,2.43414781,3.392981864,0.207463733,0.295857132,0.431553084,0.546142345,0.444400305,0.218682223,6.616095946,11.12196095,13.48644029,13.97701613,8.79070242,0.936215265,23.80204551,18.78122881,17.25008029,17.84117505,15.2480182,5.897247046,6,1.632653061,5.333333333,6,0,4,2.12,0.954,2.449489743,2.37841423,0,3.363585661,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,2.356,7,3,0,0,0,0,0,0,0,21,1.791759469,2.079441542,1.386294361,0,0,0,0,0,0,0,3.091042453,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,5,1,0,2,3,0.5,3,0.666666667,0,0,0,0,0,0,0,0,0.6,0.095238095,0,0,0,0,0,0,0,0,0.695238095,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,0,112.3323665,3.584962501,3.218875825,3.80666249,4.634728988,5.252273428,6.084499413,6.708084084,7.5416831,8.166500319,9.000483165,65.41379081,2.397895273,0,3.663561646,0,5.081404365,0,6.532334292,0,7.989899375,8.256088134,86.10955045,4.305477522,10.46599026,1.74433171,0,0,0,28,3,3.73,24,1.220894737,2.101556087,2.934917348,3.419631249,3.913067792,0,0,0,0,0,67.74862772,82.03263662,59.95978494,14.84026213,3.975927313,0,0,0,0,0,263.8372191,335.2297699,373.2035547,192.0195147,121.6327992,0,0,0,0,0,8.859366903,14.89911472,20.8380043,23.38372301,26.28980509,0,0,0,0,0,2.030985313,2.708801968,3.389222297,2.205909959,1.739800438,0,0,0,0,0,176.3944505,330.0515217,455.0966696,599.7676578,723.5953084,0,0,0,0,0,2.573585526,3.615967564,5.499790533,4.444396674,3.913067792,0,0,0,0,0,0.422269342,0.569501942,0.724531065,0.491177962,0.400698142,0,0,0,0,0,325.8798931,108.8222762,7.732559734,125.1027355,-41.7760185,-7.344627997,200.7771575,150.5982947,15.07718773,0.722599658,0.241300372,0.017146026,0.277400342,-0.092633321,-0.016285833,146.9661708,49.07695619,3.487250114,56.4191605,-18.84025864,-3.31229964,0.080166546,0.194049974,1.603197168,9.739765541,450.9826286,0,1,0,310.4078457,17.6183951,6.770866172,446.0263509,21.11933595,7.640471717,517.0378379,22.73846604,8.026153148,1.267790508,1.186876342,191.6180182,191.1846161,114.4536037,1.00226693,1.674198207,1.670411502,3.43042054,3.220194404,5.261228039,0.633823111,3.904607748,4.742685896,2.393103584,20.60989535,2.971554359,5.339918716,6.656402721,6.657263391,2.472768236,0.006683872,3.96E-24,4.53E-67,9.99E-132,4.25E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,4.742376808,0.12889629,7.648359242,1.01893633,0.168563135,0.355225937,0.321131147,0.017415909,4.71E-05,2.79E-26,3.19E-69,7.04E-134,2.99E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,4.742398013,0.463496457,9.607608419,1.169499924,0.728339878,1.181598879,1.19319005,0.181487198,4.91E-04,2.91E-25,3.32E-68,7.33E-133,3.12E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,4.742652155,2.209359401,19.57354669,2.764279689,4.847931876,6.107976014,6.120334734,2.20319198,0.00595521,3.53E-24,4.04E-67,8.90E-132,3.79E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,4.742425006,0.731067991,11.15640069,1.346495635,1.259824479,1.88541151,1.916918129,0.394214446,0.001065558,6.32E-25,7.22E-68,1.59E-132,6.77E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,4.742827645,3.124668492,24.72276898,3.838617706,7.360678241,8.871683145,8.814486789,3.606300078,0.0097478,5.78E-24,6.61E-67,1.46E-131,6.20E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.345841756,3.656522772,0.91273544,13.8550974,1.892217798,2.193511644,3.134508877,3.18511084,0.770316119,0.002082158,1.23E-24,1.41E-67,3.11E-132,1.32E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.160427149,1.163294415,1.138901807,0.484115949,0.260675015,0.468132096,0.484978538,0.446551088,4.462623371,6.298605333,13.62353135,0.226173924,1.399661723,1.558334683,0.667003787,0.662931678,0.539539102,0.230935388,0.24544171,0.159440935,0.150969997,2.888270148,2.5146625,6.091993867,0.309308654,0.555852643,1.809074743,0.873897736,0.861615031,0.510376662,0.246544269,0.329525105,0.273693486,0.255312811,3.54458751,3.892635738,8.799390362,0.265564994,0.858531402,2.146641285,1.151949418,1.12804361,0.48493757,0.260231439,0.462235222,0.475565185,0.438063134,4.426634313,6.193776343,13.40986191,0.227406354,1.375863541,1.915750705,0.961821597,0.945930838,0.501045935,0.251555069,0.369039888,0.331537213,0.307841675,3.82350314,4.564594782,10.13107992,0.251568902,1.008418775,2.203248648,1.198529372,1.172619108,0.481647873,0.262008159,0.486688108,0.514802441,0.47342713,4.574397127,6.629648124,14.30053154,0.22247181,1.474917679,2.151506752,1.154466076,1.128907331,0.485133008,0.260315056,0.464235507,0.477645385,0.438757084,4.434880159,6.215978519,13.45488562,0.227699512,1.380637975 +UMLS0010,L,"2,2-Dimethylbutane",CCC(C)(C)C,6403,,"Sandia, UML",[1],C6H14,PubChem,,-1.6,0,0.1078,0.01162084,42.3493,25.601516,0,0,22,10,12,0,10,0,0,0,0,0,0,0,0,0,1454.833978,1876.454508,2937.78477,1979.503018,1049.399405,161.54208,7.112448,0,0,4608.173951,6459.042217,10898.09698,9666.183432,5763.093529,1874.179307,217.586211,0,0,156.026728,175.897776,348.459912,488.95876,383.60498,192.907008,47.029248,0,0,33.22435486,46.82933172,82.26866649,82.88521181,52.89843037,20.4763382,3.112290334,0,0,3486.955385,3359.002846,6939.56505,10810.89554,9084.976774,4796.153005,1294.423564,0,0,39.61111111,49.66666667,89.66666667,111.4166667,84.83333333,39,7,0,0,66.12881718,78.1856045,61.20384938,28.68844954,19.07998918,5.76936,1.016064,0,0,209.4624523,269.1267591,227.0436871,140.089615,104.7835187,66.93497526,31.08374443,0,0,7.092124,7.329074,7.2595815,7.086358841,6.974636,6.889536,6.718464,0,0,1.510197948,1.951222155,1.713930552,1.201234954,0.961789643,0.731297793,0.444612905,0,0,158.4979721,139.9584519,144.5742719,156.6796456,165.1813959,171.2911787,184.917652,0,0,1.800505051,2.069444444,1.868055556,1.6147343,1.542424242,1.392857143,1,0,0,0.053883271,-0.001727711,-0.021858794,-0.017040043,0.015121768,-0.017919597,0.016482741,0,0,660.3600491,72.03927808,-142.0774651,-530.2891303,55.03000409,40.02182116,175.0954676,0,0,1227.96771,133.9601138,-264.1991133,-986.095282,102.3306425,74.42228543,325.5974988,0,0,0.12936,0.014112,-0.027832,-0.10388,0.01078,0.00784,0.0343,0,0,5.489587008,0.598864037,-1.181092962,-4.408304719,0.457465584,0.332702243,1.455572313,0,0,29.81952376,3.253038955,-6.415715717,-23.9459812,2.484960313,1.807243864,7.906691905,0,0,3.121212121,0.180899908,-1.362947658,-1.233700643,1.121212121,-0.846189164,0.580119376,0,0,0.00244924,-7.20E-05,-4.55E-04,-2.47E-04,2.75E-04,-6.40E-04,0.002354677,0,0,30.01636587,3.001636587,-2.95994719,-7.685349715,1.000545529,1.429350756,25.01363822,0,0,55.81671408,5.581671408,-5.504148194,-14.29123597,1.860557136,2.657938766,46.5139284,0,0,0.00588,5.88E-04,-5.80E-04,-0.001505507,1.96E-04,2.80E-04,0.0049,0,0,0.249526682,0.024952668,-0.024606103,-0.063888474,0.008317556,0.011882223,0.207938902,0,0,1.355432898,0.13554329,-0.133660744,-0.347043206,0.045181097,0.064544424,1.129527415,0,0,0.141873278,0.007537496,-0.028394743,-0.017879719,0.020385675,-0.030221042,0.082874197,0,0,-0.029391962,-0.185931807,-0.100830128,0.112255755,-0.261299711,0.961391151,0,0,0.1,-0.098611111,-0.256038647,0.033333333,0.047619048,0.833333333,0,0,0.1,-0.098611111,-0.256038647,0.033333333,0.047619048,0.833333333,0,0,0.1,-0.098611111,-0.256038647,0.033333333,0.047619048,0.833333333,0,0,0.1,-0.098611111,-0.256038647,0.033333333,0.047619048,0.833333333,0,0,0.1,-0.098611111,-0.256038647,0.033333333,0.047619048,0.833333333,0,0,0.053128371,-0.200141586,-0.126025984,0.14368932,-0.213014332,0.584142395,0,0,1.028621818,1.071985823,0.976488537,0.880529769,1.373247504,0.085711492,0,0,0.9625,1.122916667,1.199637681,0.875,0.825,0,0,0,0.9625,1.122916667,1.199637681,0.875,0.825,0,0,0,0.9625,1.122916667,1.199637681,0.875,0.825,0,0,0,0.9625,1.122916667,1.199637681,0.875,0.825,0,0,0,0.9625,1.122916667,1.199637681,0.875,0.825,0,0,0,0.996763754,1.127199636,1.021141128,0.858009709,1.261529126,0,0,0,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,51.07126949,23.65962904,36.14011418,51.0023806,5.10023806,23.65962904,-0.344444444,0.021131425,0.002113142,-3.856994031,47.71653426,4.771653426,3.865277968,0,11.8,12.20008287,-0.284116548,0.115994747,7.229990757,9.563653879,12,24,22,22,10,2,2,0,0,2,13.118484,3.924496123,3.334613846,2.619821451,2.513840825,2.148760675,1.952541824,0.916951974,0.848037925,1.83925593,1.735673169,1.509079677,1.310682496,0.644706107,0.585467999,0.359940978,0.330305947,3.938686808,3.354604103,2.649603633,2.548081358,2.194899589,2.007323963,1.037117756,0.973891901,1.800157868,1.685243917,1.445094537,1.247225664,0.515559101,0.448458557,0.205029689,0.171928522,4.00178965,3.4458246,2.789508727,2.708396636,2.405086451,2.254546524,1.520803052,1.475676956,1.692254405,1.542769424,1.263268085,1.069354187,0.102621805,7.93E-04,0.316106163,0.365957075,3.949170337,3.369505515,2.672048999,2.573877882,2.229389283,2.048198198,1.123485477,1.064033653,1.775934004,1.653641406,1.404848413,1.207536974,0.430303631,0.357328503,0.100920638,0.065166415,4.033123113,3.492284326,2.862276356,2.791046315,2.509509028,2.375187786,1.728371358,1.689050719,1.660503916,1.500197419,1.209026818,1.017010369,0.034743609,0.152256589,0.500539769,0.558989443,3.944004565,3.49762675,2.704301905,2.630116164,2.249648149,2.0955655,1.28071553,1.214926233,1.79637798,1.638191713,1.325339285,1.080819941,0.288129307,0.240439249,0.056814303,0.100637309,0,0,0,4,0,0,2,4,0,0,0,0.314269681,0.549943305,0.995781916,0,0,0.23570226,0.410119041,0.664934689,0.60549886,0,0.191638319,0,0.519359402,0,0.146277398,0,1.783239899,3.238492022,3.743456942,1.406276641,2.328372981,2.432082526,6.552041764,4.949489743,4.591824721,4.349603133,4.018442913,2.638605413,1.78720836,1.047137179,0.655204176,0.412457479,0.255101373,0.161096412,0.103036998,0.065965135,0.044680209,0.029918205,6.033015716,4.299659829,3.853371151,3.455101994,2.972928357,1.802560446,1.104858789,0.581431086,0.603301572,0.358304986,0.214076175,0.127966741,0.076228932,0.045064011,0.02762147,0.016612317,13.25096682,21.32702112,20.35294118,20.56,14.79132695,165.140309,0.602316674,0.969410051,0.92513369,0.934545455,0.672333043,7.506377681,2.23698,40.934,69.06457753,80.68215568,138.1291551,13.81291551,69.06457753,0.106208875,0.010620887,-2.242347608,63.62998505,6.362998505,4.153084822,84,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,6,4,0,4,0,0,0,0,0,0,0,0,0,0,2,0,4,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.695092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.115069444,0,0,1.884930556,1.304791667,0,1.115069444,0,0,0,0,0,0,0,0,0,0,2.815324074,0,9.695092593,0,3.822916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.376481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,0.281180556,0.315902778,0,0.272916667,0,0,0,0,0,0,0,0,0,0,1.357314815,0,2.376481481,0,0.924768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.443287037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,0.333680556,0.333680556,0,0.290694444,0,0,0,0,0,0,0,0,0,0,1.458009259,0,2.443287037,0,1.009259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.33333333,1.633333333,0.333680556,2.443287037,0.272916667,0.924768519,5.696351713,0.408564815,0.443287037,3.390185185,0.408564815,0.443287037,3.390185185,5,0.5,0,0,0.48182,0.7,0.45385,0.45385,0.7,0.02797,0.02797,0,0,0.71429,0,0,0,0.4,0,8,0.8,6,0.6,2,0.2,-4,-0.4,0,0,8.413,0.8413,10.7571,2.3441,0.23441,3.9443,0.39443,4.94947,1.00516,0.10052,-0.03547,-0.00355,0.22253,0.02225,0.454545455,54,0,0,0,0,0,0,0.6,0.994030211,2.42511855,3.481714573,3.970573096,4.186704346,4.277613437,21.86866465,53.35260811,76.59772061,87.35260811,92.10749561,94.10749561,0.222905136,0.543817858,0.780752991,0.890376495,0.938842593,0.959228396,3.465401407,2.034313068,0.977717046,0.488858523,0.272727273,0.181818182,0.211476005,0.515934401,0.740721035,0.844723756,0.890704827,0.910045377,6.685280239,18.35248477,23.41450322,25.28365096,26.50076208,26.59238254,36.74662124,27.47050302,19.99424877,16.95099589,15.26525756,15.04167286,5.625,1.777777778,0.614540466,0,2,0,2.56,1.1058,0,0,0,0,6.137143265,12.89483918,0,4.242640687,0,0,0,0,0,0,0,0,0,0,0,0.003,0.159,0.192,0.621,0.876,4.8,18,27,39,40,40,35,25,10,0,256,2.708050201,3.135494216,3.610917913,4.077537444,4.234106505,4.418840608,4.48863637,4.394449155,3.713572067,0,6.212606096,1.9453125,0.25,3,0,0,3,0,0,0,0,0,0,0,0,3,0,0,1,0,1,1,0,0,0,0,6,0,3,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,4,0.333333333,1.5,1.333333333,0.375,0.097222222,0,0,0,0,0,0,0.125,0.074074074,0.0375,0.019444444,0,0,0,0,0,0,0.256018519,19.93805946,28.6921748,39.87611892,3.987611892,19.93805947,0.04889705,0.004889705,-3.018038216,55.07549411,5.507549411,4.008704864,0,139.1740115,4.321928095,4.110873864,5.017279837,5.937536205,6.857514063,7.78113851,8.703672758,9.627536403,10.55072168,11.47450683,92.06078015,3.218875825,0,4.574710979,3.433987204,6.137727054,5.777652323,7.806696373,7.867488569,9.535679436,9.896211144,132.0939004,6.004268199,21.19820746,2.119820746,0,0,0,98,10,3.722,60,1.294802911,2.240524453,3.024818184,3.881970769,4.606541731,5.59407332,0,0,0,0,113.512529,142.8446017,92.92683832,78.38719007,27.90389255,5.683936514,0,0,0,0,377.152249,523.0695464,443.6552599,418.8628046,318.3482297,173.8847454,0,0,0,0,9.52899289,16.28996976,21.48952899,27.10177977,31.78469748,37.58358021,0,0,0,0,2.682091109,3.921875463,3.76218156,3.806736152,3.448794696,2.487197189,0,0,0,0,178.7726836,322.2620301,469.8628409,639.3417605,785.2555242,1034.442904,0,0,0,0,2.738538277,4.231765869,4.984330498,6.074802123,6.53404671,5.59407332,0,0,0,0,0.549500388,0.811740153,0.796435287,0.817063227,0.759828729,0.572833108,0,0,0,0,280.48545,135.2200598,11.85318594,52.8651831,-25.48593241,-3.853047669,227.6202669,160.7059922,15.70623361,0.841412681,0.405639127,0.035557712,0.158587319,-0.076453829,-0.011558543,93.50000234,45.07569254,3.951267039,17.62264226,-8.495751703,-1.28441588,0.118650558,0.181178447,3.233745428,1.424454457,333.3506331,0,1,0,798.2621948,28.2535342,9.27645098,915.355877,30.25484882,9.70949535,1458.555464,38.19103906,11.34072927,1.137435863,1.092239603,425.5866821,370.8312794,160.1954003,1.147655836,2.656672298,2.31486846,3.736637101,3.885360026,6.5637765,0.689361206,3.673549246,6.735196842,4.943847362,14.88133977,11.67192746,10.56587754,12.11719505,6.538914105,3.464155767,1.353063282,0.973306239,1.506282188,5.44E-09,8.58E-39,2.61E-90,1.53E-163,1.73E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0.308395649,6.735106184,2.360527956,7.131649475,2.041998401,0.787183567,1.221154059,0.539836973,0.091037989,0.106986065,0.006859064,0.010608869,3.83E-11,6.04E-41,1.84E-92,1.08E-165,1.22E-260,0,0,0,0,0,0,0,0,0,0,0,0,0,0.995295241,6.735113285,2.810919164,8.232885185,3.625765573,2.383210716,2.515707091,1.229996346,0.425452732,0.349691348,0.07144542,0.11055259,3.99E-10,6.30E-40,1.91E-91,1.12E-164,1.27E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,3.467536954,6.735187257,4.758486878,14.23687431,10.94728418,9.825721638,11.12129926,5.982608901,3.132383346,1.272659486,0.867201083,1.342070311,4.85E-09,7.64E-39,2.32E-90,1.36E-163,1.54E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,1.466830276,6.735121545,3.142937558,9.131561326,4.826368077,3.597605389,3.680383135,1.862437652,0.760160709,0.519758748,0.155179183,0.240134999,8.68E-10,1.37E-39,4.16E-91,2.44E-164,2.76E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,4.436320036,6.73523691,5.661050438,17.46056721,14.50835799,13.46701712,16.17793108,8.813309416,4.834797301,1.655440124,1.419462666,2.196771009,7.94E-09,1.25E-38,3.80E-90,2.23E-163,2.52E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,2.266222565,5.935681891,3.346708405,9.994808557,7.004371959,5.169966372,6.376014055,3.620831256,1.623194379,0.981768783,0.364857273,0.564620562,2.04E-09,3.22E-39,9.78E-91,5.73E-164,6.49E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,3.013545021,1.499532961,0.880652545,0.558712566,0.278014067,0.484704816,0.534890439,0.360870448,5.393730528,8.493363701,17.8666839,0.338068848,1.380465702,2.411238129,0.813944645,0.403121264,0.664563417,0.224331984,0.31133452,0.159080373,0.075010117,3.628304039,3.262754121,7.682229743,0.496845125,0.545425011,2.613348363,1.047973467,0.565274103,0.618310433,0.247947399,0.364978043,0.264592604,0.14825379,4.226595933,4.808370158,10.58309344,0.42746565,0.777824437,2.994232163,1.478116916,0.865601298,0.560932933,0.276907204,0.478499587,0.520346063,0.348638401,5.337950377,8.29709638,17.46604681,0.3413994,1.34748405,2.717369792,1.166895179,0.647962868,0.599566017,0.257466134,0.394340346,0.327778664,0.195081175,4.532227839,5.687745181,12.27458922,0.399349025,0.917200185,3.07594363,1.568461583,0.929167345,0.551880073,0.281410454,0.505059355,0.582694529,0.401708838,5.573572558,9.139929075,19.19626895,0.327820109,1.489462721,3.016533864,1.480804817,0.865833883,0.562453255,0.276106129,0.485297735,0.523208393,0.348252554,5.363172564,8.360846088,17.59161018,0.343679882,1.356758682 +UMLS0011,L,dicyclopentadiene,C1C=CC2C1C3CC2C=C3,6492,,UML,[1],C10H12,PubChem,,4.9,0,0.3362,0.11303044,23.0781,16.801516,0,0,17,5,12,0,5,0,0,0,0,0,0,0,0,0,733.513373,722.34154,780.930532,544.894898,169.670592,18.289152,0,0,0,2490.589442,3070.907003,3840.690913,3576.938553,2122.849263,559.5073998,0,0,0,118.324148,115.573648,211.228816,251.492168,246.65472,120.932352,0,0,0,19.27985486,24.51813172,33.41843801,34.07326687,24.03324144,8.003032287,0,0,0,2852.983605,2344.647997,4806.314708,5904.886795,6275.494221,3328.517736,0,0,0,28.02777778,32.66666667,47.33333333,57,48,18,0,0,0,43.14784547,45.14634625,26.03101773,15.13596939,4.713072,1.016064,0,0,0,146.5052613,191.9316877,128.0230304,99.35940425,58.96803508,31.08374443,0,0,0,6.960244,7.223353,7.040960533,6.985893556,6.85152,6.718464,0,0,0,1.134109109,1.532383233,1.113947934,0.946479635,0.66759004,0.444612905,0,0,0,167.822565,146.5404998,160.2104903,164.0246332,174.3192839,184.917652,0,0,0,1.64869281,2.041666667,1.577777778,1.583333333,1.333333333,1,0,0,0,0.024097139,-0.005577076,-0.002160584,-0.010416377,-0.003449456,0.009554923,0,0,0,427.2917965,-60.32354774,-56.13441248,-235.4294016,-50.26962311,188.5110867,0,0,0,794.5673416,-112.1742129,-104.384337,-437.7910254,-93.47851077,350.5444154,0,0,0,0.083703529,-0.011816969,-0.010996346,-0.046119003,-0.009847474,0.036928028,0,0,0,3.552085711,-0.501470924,-0.466646554,-1.957129578,-0.417892437,1.567096637,0,0,0,19.29498596,-2.723998018,-2.534831489,-10.63115893,-2.269998348,8.512493806,0,0,0,2.496732026,-1.31064975,0.476355248,-0.453863899,-0.875432526,0.915224913,0,0,0,0.001417479,-3.49E-04,-7.20E-05,-2.89E-04,-9.58E-05,5.31E-04,0,0,0,25.13481156,-3.770221734,-1.871147083,-6.5397056,-1.39637842,10.47283815,0,0,0,46.73925539,-7.010888308,-3.479477901,-12.16086182,-2.596625299,19.47468974,0,0,0,0.004923737,-7.39E-04,-3.67E-04,-0.001281083,-2.74E-04,0.002051557,0,0,0,0.208946218,-0.031341933,-0.015554885,-0.054364711,-0.011608123,0.087060924,0,0,0,1.134999174,-0.170249876,-0.084494383,-0.29530997,-0.06305551,0.472916323,0,0,0,0.14686659,-0.081915609,0.015878508,-0.012607331,-0.02431757,0.050845829,0,0,0,-0.245906484,-0.050808152,-0.204125661,-0.067597637,0.374488168,0,0,0,-0.15,-0.074444444,-0.260185185,-0.055555556,0.416666667,0,0,0,-0.15,-0.074444444,-0.260185185,-0.055555556,0.416666667,0,0,0,-0.15,-0.074444444,-0.260185185,-0.055555556,0.416666667,0,0,0,-0.15,-0.074444444,-0.260185185,-0.055555556,0.416666667,0,0,0,-0.15,-0.074444444,-0.260185185,-0.055555556,0.416666667,0,0,0,-0.557755236,0.108115183,-0.085842059,-0.165575916,0.346204188,0,0,0,1.792628993,1.085756573,1.240142883,0.836104827,1.79E-05,0,0,0,1.7,1.208888889,1.259259259,0.755555556,0,0,0,0,1.7,1.208888889,1.259259259,0.755555556,0,0,0,0,1.7,1.208888889,1.259259259,0.755555556,0,0,0,0,1.7,1.208888889,1.259259259,0.755555556,0,0,0,0,1.7,1.208888889,1.259259259,0.755555556,0,0,0,0,2.158376963,0.729842932,1.142233857,1.068062827,0,0,0,0,14.91858854,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,-1.78E-15,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,14.91858854,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,-1.78E-15,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,14.91858854,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,-1.78E-15,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,14.91858854,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,-1.78E-15,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,14.91858854,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,-1.78E-15,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,14.91858854,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,-1.78E-15,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19.04561848,9.44642035,14.67123205,18.95395181,3.790790362,9.446563727,-0.152777778,0.059659743,0.011931949,-1.409548904,10.93742667,2.187485334,1.196095273,0,11.89,12.11005553,-0.164834017,0.055802357,5.126992646,7.020913596,4,16,16,16,4,0,0,0,0,0,13.118484,3.436053414,2.757162924,2.333552793,1.74701597,0.987460973,0.083923071,0.083923071,0.083923071,1.879820889,1.479823839,1.249629723,0.850338063,0.382018208,0.083923071,0.083923071,0.083923071,3.466127007,2.81034045,2.405454588,1.837020921,1.110191623,0.270913902,0.270913902,0.270913902,1.815440778,1.383559899,1.134540686,0.717017599,0.224006118,0.270913902,0.270913902,0.270913902,3.598324271,3.03749745,2.704236987,2.205306933,1.593856555,0.943918427,0.943918427,0.943918427,1.624670542,1.081321637,0.76031856,0.273258628,0.319939306,0.943918427,0.943918427,0.943918427,3.488286403,2.849202999,2.457539916,1.901928269,1.197573369,0.399277246,0.399277246,0.399277246,1.774306747,1.320593226,1.058262671,0.627879323,0.117102762,0.399277246,0.399277246,0.399277246,3.662552056,3.143442614,2.838982085,2.367920828,1.798742767,1.207644823,1.207644823,1.207644823,1.564855323,0.981104075,0.631337262,0.116401873,0.520282299,1.207644823,1.207644823,1.207644823,3.474673436,2.94680938,2.60407788,1.975063151,1.262209987,0.566037736,0.566037736,0.566037736,1.773400793,1.209675239,0.905964672,0.524954837,0.018649614,0.566037736,0.566037736,0.566037736,0,0,0,0,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0.40824829,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,8.250966823,16.32702112,15.35294118,15.56,9.791326946,131.4268359,0.48535099,0.960413007,0.903114187,0.915294118,0.575960409,7.730990349,2.0524,25.129,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,6.643518519,0,1.305555556,0,0,0,0.884259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.199074074,0,1.305555556,0,0,0,0.884259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.222222222,0,1.305555556,0,0,0,0.884259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.833333333,1.766666667,0.2,2.222222222,0.2,0.884259259,3.875087963,0.449074074,0.222222222,1.287037037,0.449074074,0.222222222,1.287037037,2.5,0.5,0,0,0.41765,0.7,0.41765,0.41765,0.7,0,0,0,0,0.71429,0,0,0.6,0.2,0,2,0.4,2,0.4,0,0,-2,-0.4,0,0,4.43249,0.8865,4.43249,0,0,2.27005,0.45401,2.27005,0,0,0.14395,0.02879,0.14395,0.02879,0,4,0,0,0,0,0,0,1,0.873981048,1.277201811,2.173973135,2.660129753,2.179251771,0.971911945,14.85767782,21.71243079,36.95754329,45.22220579,37.04728011,16.52250306,0.213819937,0.312468116,0.531863706,0.650802186,0.533155127,0.237778784,3.213481793,2.81026103,1.913489707,1.427333089,1.90821107,3.115550896,0.218495262,0.319300453,0.543493284,0.665032438,0.544812943,0.242977986,6.588780814,11.42742997,14.11252476,14.60248557,8.831949795,0.979517187,19.83472123,15.09086009,14.02537168,14.16019229,11.2749244,4.506618548,5,2.25,4,5,0,4,2.01,0.8131,1.144714243,1.889881575,2.381101578,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,2.041,4,2,0,0,0,0,0,0,0,15,1.609437912,1.609437912,1.098612289,0,0,0,0,0,0,0,2.772588722,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,4,1,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,0,95.03638183,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,72.09390038,4.24081767,8.696801932,1.739360386,0,0,0,18,2,3.124,16,1.2155,2.091621178,2.863343203,3.446051891,4.115155856,0,0,0,0,0,65.03495578,62.3904171,47.82482086,17.40723262,4.181261719,0,0,0,0,0,257.0304509,291.4144008,298.7912011,211.9993937,127.9144529,0,0,0,0,0,8.812494779,14.78443243,20.04136918,23.65264872,27.64752647,0,0,0,0,0,1.991404788,2.477132363,2.801831114,2.370859153,1.829651399,0,0,0,0,0,176.0959978,330.9145584,466.8123526,597.3714165,760.9649585,0,0,0,0,0,2.537166667,3.434054757,4.644254449,4.699842646,4.115155856,0,0,0,0,0,0.414511875,0.525100859,0.603524994,0.525397321,0.42139196,0,0,0,0,0,320.2387707,92.8247418,7.655435269,145.9846401,-42.31525899,-8.564313563,174.2541307,135.1400008,16.21974883,0.686878358,0.199099272,0.016420101,0.313121642,-0.090761764,-0.018369549,149.302812,43.27706773,3.569143142,68.06145682,-19.72836437,-3.992883481,0.101360989,0.224051029,2.053958423,13.06347447,466.2234108,0,1,0,248.3262766,15.75837163,6.285515363,364.5707096,19.09373482,7.143766615,368.1829809,19.18809477,7.16728328,1.267790508,1.186876342,186.2243751,142.7019021,67.41636493,1.304988738,2.762302229,2.116724956,3.253688013,3.220194404,5.261228039,0.633823111,3.346806641,3.794134052,1.964803369,12.35254195,3.808060065,2.687906091,3.564863284,6.657112493,1.876965427,0.006683872,3.96E-24,4.53E-67,9.99E-132,4.25E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.28087429,3.793901362,0.117901153,4.327785163,0.525903081,0.084417762,0.252753718,0.321130085,0.013219621,4.71E-05,2.79E-26,3.19E-69,7.04E-134,2.99E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.906696446,3.793917383,0.411563119,5.412198172,0.755395065,0.365499692,0.747367955,1.193178975,0.137758643,4.91E-04,2.91E-25,3.32E-68,7.33E-133,3.12E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.15911246,3.794108671,1.822257892,11.66542288,3.451306405,2.439958441,3.297904502,6.120200287,1.672342403,0.00595521,3.53E-24,4.04E-67,8.90E-132,3.79E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336303737,3.793937727,0.637895299,6.320992253,1.043717658,0.632786399,1.14078374,1.916894072,0.299230181,0.001065558,6.32E-25,7.22E-68,1.59E-132,6.77E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041753714,3.794240666,2.526056809,15.11900666,5.305882881,3.706502362,4.62617874,8.814266718,2.737377675,0.0097478,5.78E-24,6.61E-67,1.46E-131,6.20E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.995692817,3.140274202,0.849191287,7.83540372,1.714739551,1.133643829,1.897012397,3.275844955,0.601377317,0.002141504,1.27E-24,1.45E-67,3.20E-132,1.36E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.427091101,1.2510663,0.545210867,0.574681379,0.296224772,0.510803151,0.477090672,0.439916155,4.223368268,5.04182327,10.9206981,0.362022069,1.427809978,1.813650618,0.770195756,0.165976982,0.659551682,0.280089175,0.286860091,0.182553256,0.041462335,2.749823355,1.82572503,4.807395989,0.489327522,0.510875682,2.071390371,0.972615682,0.325537748,0.614739114,0.288649069,0.37311756,0.28991478,0.158335578,3.369543801,3.005605633,7.030999513,0.422108671,0.821367918,2.413252771,1.240250647,0.536674805,0.575930818,0.295989951,0.505041298,0.468972534,0.426401201,4.190178222,4.953781543,10.75024802,0.363896227,1.400415033,2.180053477,1.057782551,0.392706367,0.600475973,0.291356617,0.41288187,0.342330833,0.229729107,3.630542395,3.577541353,8.113673477,0.400713959,0.98494181,2.470014698,1.284605968,0.571683099,0.570929558,0.296929212,0.528884293,0.502699171,0.483140561,4.326303765,5.319448801,11.45970054,0.356394337,1.514724026,2.420268576,1.24243583,0.536632147,0.576345464,0.295864791,0.507908162,0.470517398,0.426001837,4.199336553,4.972553327,10.78555798,0.364518197,1.404427398 +UMLS0012,L,2-Methylbutane,CCC(C)C,6556,"""isopentane""; [4] has RON/MON of 93/89.7","Sandia, UML",[1],C5H12,PubChem,,2,0,1.8614,3.46480996,24.5764,14.134344,0,0,13,5,8,0,5,0,0,0,0,0,0,0,0,0,729.449117,673.913188,691.100596,460.059602,120.140496,10.16064,0,0,0,2366.254464,2611.960538,2882.115876,2515.513922,1374.550736,310.8374443,0,0,0,91.450292,87.10312,127.813072,128.164808,137.961792,67.18464,0,0,0,17.50140324,20.06395448,23.40056331,22.05664615,14.91264074,4.446129048,0,0,0,2113.312997,1732.157806,2809.868614,2767.139684,3412.197102,1849.17652,0,0,0,36.77777778,37.66666667,43,48.33333333,36,10,0,0,0,56.11147054,56.15943233,38.39447756,25.55886678,6.0070248,1.016064,0,0,0,182.0195742,217.6633782,160.1175487,139.7507734,68.7275368,31.08374443,0,0,0,7.034637846,7.258593333,7.100726222,7.120267111,6.8980896,6.718464,0,0,0,1.346261788,1.671996207,1.300031295,1.225369231,0.745632037,0.444612905,0,0,0,162.5625382,144.3464838,156.1038119,153.7299825,170.6098551,184.917652,0,0,0,2.829059829,3.138888889,2.388888889,2.685185185,1.8,1,0,0,0,0.04586352,-0.009952446,-0.001123338,-0.019580794,-0.012674402,0.020399219,0,0,0,372.5107969,-45.8474827,15.04370526,-273.6521624,-60.89118796,179.0917293,0,0,0,692.6997337,-85.25535183,27.97441232,-508.8678813,-113.2297642,333.0287181,0,0,0,0.072972308,-0.008981207,0.002946959,-0.05360658,-0.011928166,0.03508284,0,0,0,3.096690107,-0.38113109,0.125058639,-2.274876194,-0.506189729,1.488793321,0,0,0,16.82126981,-2.070310131,0.679320512,-12.35716359,-2.749630642,8.087148947,0,0,0,7.025641026,-2.946745562,1.494411571,-1.744904668,-2.945430638,2.629848784,0,0,0,0.003527963,-8.29E-04,-6.24E-05,-0.001087822,-6.34E-04,0.002039922,0,0,0,28.65467669,-3.820623558,0.835761403,-15.20289791,-3.044559398,17.90917293,0,0,0,53.2845949,-7.104612653,1.554134018,-28.27043785,-5.661488208,33.30287181,0,0,0,0.005613254,-7.48E-04,1.64E-04,-0.002978143,-5.96E-04,0.003508284,0,0,0,0.238206931,-0.031760924,0.006947702,-0.126382011,-0.025309486,0.148879332,0,0,0,1.293943832,-0.172525844,0.037740028,-0.686509088,-0.137481532,0.808714895,0,0,0,0.540433925,-0.24556213,0.083022865,-0.096939148,-0.147271532,0.262984878,0,0,0,-0.235084788,-0.017689427,-0.308342761,-0.179627762,0.578215208,0,0,0,-0.133333333,0.029166667,-0.530555556,-0.10625,0.625,0,0,0,-0.133333333,0.029166667,-0.530555556,-0.10625,0.625,0,0,0,-0.133333333,0.029166667,-0.530555556,-0.10625,0.625,0,0,0,-0.133333333,0.029166667,-0.530555556,-0.10625,0.625,0,0,0,-0.133333333,0.029166667,-0.530555556,-0.10625,0.625,0,0,0,-0.454379562,0.153622601,-0.179372803,-0.272506083,0.486618005,0,0,0,1.351402823,0.886610173,1.32613749,1.07165336,0.052064099,0,0,0,1.3,0.975,1.516666667,0.8775,0,0,0,0,1.3,0.975,1.516666667,0.8775,0,0,0,0,1.3,0.975,1.516666667,0.8775,0,0,0,0,1.3,0.975,1.516666667,0.8775,0,0,0,0,1.3,0.975,1.516666667,0.8775,0,0,0,0,1.636861314,0.590429846,1.228304947,1.281021898,0,0,0,0,11.54570973,5.772854865,9.052051674,11.54570973,2.309141946,5.780645441,2.66E-15,0.010545422,0.002109084,-2.276031743,12.26040891,2.452081781,1.253187641,11.54570973,5.772854865,9.052051674,11.54570973,2.309141946,5.780645441,2.66E-15,0.010545422,0.002109084,-2.276031743,12.26040891,2.452081781,1.253187641,11.54570973,5.772854865,9.052051674,11.54570973,2.309141946,5.780645441,2.66E-15,0.010545422,0.002109084,-2.276031743,12.26040891,2.452081781,1.253187641,11.54570973,5.772854865,9.052051674,11.54570973,2.309141946,5.780645441,2.66E-15,0.010545422,0.002109084,-2.276031743,12.26040891,2.452081781,1.253187641,11.54570973,5.772854865,9.052051674,11.54570973,2.309141946,5.780645441,2.66E-15,0.010545422,0.002109084,-2.276031743,12.26040891,2.452081781,1.253187641,11.54570973,5.772854865,9.052051674,11.54570973,2.309141946,5.780645441,2.66E-15,0.010545422,0.002109084,-2.276031743,12.26040891,2.452081781,1.253187641,17.02557197,8.36834154,13.45815433,16.85223863,3.370447727,8.368861269,-0.288888889,0.05598953,0.011197906,-1.441295282,12.99388184,2.598776368,1.282239309,0,11.79,12.21002884,-0.293085342,0.128161241,5.216910898,7.225503793,4,12,10,10,2,2,2,0,0,2,8.745656,3.506331298,2.764613634,2.222859049,1.195483278,0.375996274,0.083923071,0.083923071,0.083923071,1.81439309,1.368288514,1.103885086,0.443024563,0.083923071,0.083923071,0.083923071,0.083923071,3.524951184,2.804147587,2.291387996,1.296340011,0.498328236,0.270913902,0.270913902,0.270913902,1.764867156,1.280491551,0.992549805,0.293590896,0.270913902,0.270913902,0.270913902,0.270913902,3.610337571,2.982224537,2.577669406,1.714145817,0.960746841,0.943918427,0.943918427,0.943918427,1.628099892,1.018280621,0.631605629,0.208535676,0.943918427,0.943918427,0.943918427,0.943918427,3.538851994,2.833553284,2.341133305,1.369538694,0.584350256,0.399277246,0.399277246,0.399277246,1.734126967,1.224072766,0.91884751,0.193271309,0.399277246,0.399277246,0.399277246,0.399277246,3.654102306,3.070295529,2.70733767,1.899062113,1.207644823,1.207644823,1.207644823,1.207644823,1.588143398,0.936625274,0.507637922,0.387037054,1.145151215,1.207644823,1.207644823,1.207644823,3.513270313,2.921219723,2.371533841,1.384881941,0.515795136,0.428571429,0.428571429,0.428571429,1.78218891,1.186509503,0.849274809,0.174442018,0.428571429,0.428571429,0.428571429,0.428571429,0,0,2,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.204124145,0,0,0,0.40824829,0,0,0.144337567,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.491563832,1.550476816,1.050476816,0.348461713,0,0,0,0,0.698312766,0.387619204,0.262619204,0.174230856,0,0,0,0,7.167311215,12.55134741,11.90196078,12.04,8.194217964,98.85571497,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,1.60088,24.471,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,1,0,0,0,1,0,3,0,0,0,0,0,0,0,0,1,2,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.756944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.856597222,0.422222222,0,0,0,0.333680556,0,1.278819444,0,0,0,0,0,0,0,0,1.909722222,7.016203704,0,0,1.722222222,0,0,0,0,1.018518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.018518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.422222222,0,0,0,0.333680556,0,0.422222222,0,0,0,0,0,0,0,0,1.909722222,3.460648148,0,0,1.722222222,0,0,0,0,1.018518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.434375,0.422222222,0,0,0,0.333680556,0,0.434375,0,0,0,0,0,0,0,0,1.909722222,3.555555556,0,0,1.722222222,0,0,0,0,1.018518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.66666667,2.333333333,0.434375,3.555555556,0.1875,1.018518519,3.394763889,0.648148148,0.555555556,2.032407407,0.648148148,0.555555556,2.032407407,2.5,0.5,0,0,0.45385,0.7,0.41765,0.41765,0.7,0.0362,0.0362,0,0,0.71429,0,0,0.6,0.2,0,5,1,2,0.4,3,0.6,1,0.2,0,0,1.95603,0.39121,4.43249,2.47646,0.49529,1.01856,0.20371,2.27005,1.25149,0.2503,0.14395,0.02879,0.14395,0.02879,0,4,0,0,0,0,0,0,0.2,0.961236605,2.28778372,2.719294526,3.026986833,2.457688415,1.319091579,12.49607586,29.74118836,35.35082883,39.35082883,31.9499494,17.14819052,0.259762806,0.61824645,0.734857134,0.818007335,0.664161181,0.356468874,2.739203113,1.412655998,0.981145192,0.673452885,1.242751303,2.381348139,0.252468347,0.60088533,0.714221443,0.795036684,0.64551072,0.34645879,6.796774065,16.25915141,18.38514265,18.69524266,11.86366164,1.329413513,19.35422196,14.22465798,12.38153552,11.95049569,8.534705181,3.126370208,5,2.25,4,5,4,4,2.01,0.7271,1.144714243,1.889881575,2.381101578,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.127,0.124,0.183,0.302,2.032,4,2,0,0,0,0,0,0,0,15,1.945910149,2.079441542,1.945910149,0,0,0,0,0,0,0,3.218875825,1.6,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,2,0.5,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,0,89.76346443,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,68.06260026,5.235584635,8.696801932,1.739360386,0,0,0,18,2,2.348,16,1.196,2.10664765,2.971523845,3.556040489,4.146565586,0,0,0,0,0,75.1401554,89.84372896,78.94668717,21.96044306,4.213176015,0,0,0,0,0,278.9551442,362.2004484,423.59184,248.9174542,128.8907849,0,0,0,0,0,8.706791628,15.01230567,21.17591648,24.55145194,27.85855161,0,0,0,0,0,2.100787256,2.888477616,3.691247202,2.687638367,1.84361657,0,0,0,0,0,171.0499271,325.0445479,455.5414747,604.9777444,766.7731721,0,0,0,0,0,3.853805556,5.295696138,8.044190921,6.432216548,4.146565586,0,0,0,0,0,0.4350675,0.60548617,0.784046373,0.591762749,0.424608316,0,0,0,0,0,295.8823956,106.2478071,12.5177087,218.2221925,-78.36096283,-14.43504522,77.66020312,184.6087699,26.95275392,0.575529576,0.206665744,0.024348564,0.424470424,-0.15242222,-0.028078032,152.1144971,54.62248509,6.435411477,112.1890304,-40.28573052,-7.421122976,0.171055272,0.27419753,4.756604884,6.864021478,514.1045881,0,1,0,305.925763,17.49073363,6.738119113,384.4836131,19.6082537,7.271532422,439.0708088,20.95401653,7.600547103,1.416161213,1.058136742,165.2246728,118.9870947,49.6084266,1.388593218,3.330576762,2.398525873,3.025896013,3.315270577,5.430461831,0.638014667,2.639531139,2.122063837,3.184239456,5.377359902,0.501315053,3.080710812,3.239512878,3.756500015,0.067698353,0.616587097,8.18E-15,2.09E-50,1.03E-107,9.82E-187,1.80E-287,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.221549681,1.216023298,0.190495859,2.370475723,0.010867261,0.130421049,0.216978274,0.119433154,4.77E-04,0.004342673,5.76E-17,1.47E-52,7.27E-110,6.92E-189,1.27E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.715111246,1.276566837,0.664871995,2.888495742,0.055641785,0.475859155,0.736399698,0.514578702,0.004968684,0.045254004,6.00E-16,1.54E-51,7.58E-109,7.21E-188,1.32E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.491504046,2.022588562,2.952600881,5.159407731,0.451714031,2.809256306,3.019968231,3.410993245,0.060318015,0.549368002,7.29E-15,1.86E-50,9.20E-108,8.75E-187,1.61E-287,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.053925787,1.355064612,1.031108594,3.272530149,0.102808592,0.789234566,1.121928557,0.888941626,0.010792637,0.098297745,1.30E-15,3.33E-51,1.65E-108,1.57E-187,2.87E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.187608834,2.540343923,4.096806229,6.222798796,0.707192569,4.188926525,4.091568271,5.175240909,0.098731675,0.899234333,1.19E-14,3.05E-50,1.51E-107,1.43E-186,2.63E-287,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.234541978,0.964011672,0.952135609,3.330050046,0.124892669,0.802731341,1.393689132,1.047452746,0.012434398,0.113250691,1.50E-15,3.84E-51,1.90E-108,1.80E-187,3.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.694240069,1.357791028,0.128641396,0.644451359,0.324778138,0.557762398,0.494377812,0.153846154,4.180672493,4.179473931,8.830744308,0.466677038,1.205986364,1.731955568,0.704040634,0.024746647,0.703834441,0.286108983,0.228585502,0.136071998,0.005693219,2.460742849,1.279649835,3.770567932,0.555751661,0.370350719,2.086292282,0.948013822,0.063211941,0.673536764,0.306055948,0.332308147,0.244847206,0.037146971,3.097518045,2.169638299,5.392179065,0.510305147,0.614302323,2.667429647,1.339898342,0.125767437,0.64538303,0.324187613,0.546540738,0.48177677,0.147048831,4.133095426,4.078075931,8.660674811,0.468074544,1.175366339,2.255534132,1.063040306,0.081487529,0.663380301,0.312653215,0.389001207,0.306563761,0.061731588,3.400061967,2.668146124,6.263592668,0.495070452,0.757296555,2.779275875,1.414452237,0.137751085,0.641645902,0.326551779,0.594140498,0.535294099,0.176406756,4.331479197,4.508843579,9.381843366,0.462468852,1.305841353,2.665455204,1.339317991,0.124944804,0.64543274,0.324312215,0.545526013,0.481763753,0.145131457,4.129718,4.070267713,8.646025184,0.46814911,1.172421223 +UMLS0013,L,"2-methyl-1,3-butadiene",CC(=C)C=C,6557,Sandia Ron averaged between valuese 99.1 and 99 from independent api report and co-optima database (sourced from there own api) I thinkk we should go with UML source ,"Sandia, UML",[1],C5H8,PubChem,,18.05,0,0.1242,0.01542564,21.5446,14.50993,0,0,15,5,10,0,4,0,1,0,0,0,0,0,0,0,843.185125,750.047136,809.60784,616.436106,143.329536,6.096384,0,0,0,2221.295828,2687.923385,3331.733076,2948.832557,1405.397394,186.5024666,0,0,0,110.69842,106.185288,184.0386,217.72332,218.86848,40.310784,0,0,0,16.24493305,20.26270678,27.25039803,26.5898303,15.21718044,2.667677429,0,0,0,2541.80523,2097.013603,4035.989087,4944.130765,5485.5391,1109.505912,0,0,0,58.02777778,38.66666667,54.66666667,70.33333333,62,6,0,0,0,56.21234167,53.57479543,32.3843136,20.5478702,4.7776512,1.016064,0,0,0,148.0863886,191.9945275,133.269323,98.29441858,46.8465798,31.08374443,0,0,0,7.379894667,7.584663429,7.361544,7.257444,7.295616,6.718464,0,0,0,1.082995537,1.447336198,1.090015921,0.886327677,0.507239348,0.444612905,0,0,0,169.453682,149.7866859,161.4395635,164.8043588,182.8513033,184.917652,0,0,0,3.868518519,2.761904762,2.186666667,2.344444444,2.066666667,1,0,0,0,0.22100372,-0.103390016,-0.029376669,0.046322052,-0.053439556,0.029382329,0,0,0,476.9038497,-65.66428988,-84.27436056,-205.1629921,23.8136108,92.83610691,0,0,0,665.1575892,-80.97945498,-96.82109803,-528.8738973,246.5759258,127.5197299,0,0,0,1.034995733,-0.103350151,-0.136179289,0.018791467,-0.3718448,0.075084907,0,0,0,2.896898448,-0.288018268,-0.316483651,-2.817756022,1.514976868,0.45883185,0,0,0,16.06108614,-1.477481838,-1.571214465,-16.08214682,8.777520432,2.322779618,0,0,0,23.27037037,-3.989382716,-3.093209877,2.340740741,-8.52962963,1.636296296,0,0,0,0.014733581,-0.007385001,-0.001175067,0.001544068,-0.001781319,0.004897055,0,0,0,31.79358998,-4.69030642,-3.370974422,-6.838766404,0.793787027,15.47268448,0,0,0,44.34383928,-5.784246784,-3.872843921,-17.62912991,8.219197526,21.25328832,0,0,0,0.068999716,-0.007382154,-0.005447172,6.26E-04,-0.012394827,0.012514151,0,0,0,0.193126563,-0.020572733,-0.012659346,-0.093925201,0.050499229,0.076471975,0,0,0,1.070739076,-0.105534417,-0.062848579,-0.536071561,0.292584014,0.387129936,0,0,0,1.551358025,-0.284955908,-0.123728395,0.078024691,-0.284320988,0.272716049,0,0,0,-0.501235986,-0.07975432,0.104799259,-0.120901937,0.332373695,0,0,0,-0.147523649,-0.106026857,-0.215098905,0.024966889,0.486660503,0,0,0,-0.130440821,-0.087336685,-0.397555336,0.185351509,0.479283902,0,0,0,-0.106988175,-0.078944841,0.009078041,-0.17963591,0.181365257,0,0,0,-0.106524618,-0.065549481,-0.486340145,0.261482564,0.395968186,0,0,0,-0.098562217,-0.058696446,-0.500655643,0.27325426,0.361553944,0,0,0,-0.18368159,-0.079754894,0.050294445,-0.183272322,0.175791819,0,0,0,1.389539695,0.809893925,0.644079106,1.312486532,1.100354501,0,0,0,1.394650417,1.126188845,1.132487094,0.77818534,0,0,0,0,1.611680217,1.221972382,1.395988706,0.333583541,0,0,0,0,1.046261318,0.910272661,0.716898543,1.536285625,0,0,0,0,1.696559902,1.243668601,1.50092009,0.170961455,0,0,0,0,1.704790797,1.24061085,1.511709908,0.158878678,0,0,0,0,1.134012414,0.910456788,0.687967531,1.524112685,0,0,0,0,13.92632712,7.08816356,10.60253706,14.07632712,2.815265424,7.090016249,0.25,0.005675938,0.001135188,-2.585759682,12.4729714,2.494594281,1.261782008,13.92923326,7.089249421,10.60453917,14.07879261,2.815758522,7.091099704,0.249265579,0.005841989,0.001168398,-2.571341975,12.47180918,2.494361837,1.261735416,16.51231851,8.056662016,12.611359,16.27292182,3.254584365,8.05729089,-0.398994478,0.13621784,0.027243568,-0.996749957,13.46107532,2.692215064,1.299901106,13.93228334,7.090389069,10.60664112,14.08138022,2.816276043,7.092236831,0.2484948,0.00601625,0.00120325,-2.556645581,12.47059513,2.494119026,1.261686742,19.26143465,9.089570194,15.08429315,18.61205809,3.722411619,9.089785787,-1.082294264,0.221349064,0.044269813,-0.754007174,26.01558515,5.203117031,1.629347894,14.23078816,7.201961175,10.81568961,14.33466868,2.866933735,7.203580376,0.173134186,0.0229788,0.00459576,-1.886591621,12.37984116,2.475968232,1.258034718,15.19901962,7.892912587,12.08714947,15.55110295,3.11022059,7.893825397,0.586805556,0.040294328,0.008058866,-1.605772287,11.27938123,2.255876246,1.211488195,0,11.99646149,15.99794197,-0.421345168,0.071853976,3.945673112,6.6197529,4,14,14,14,4,0,0,0,0,0,10.93207,3.416114232,2.617427588,2.333552793,1.502468948,0.96052669,0.083923071,0.083923071,0.083923071,1.827242846,1.249629723,1.197541044,0.454601709,0.349430602,0.083923071,0.083923071,0.083923071,3.417579556,2.520270316,2.405454588,1.382376701,1.053421808,0.270913902,0.270913902,0.270913902,1.777948972,1.172434023,1.134540686,0.415704701,0.209105972,0.270913902,0.270913902,0.270913902,3.569695903,2.858395339,2.704236987,1.9222596,1.573511089,0.943918427,0.943918427,0.943918427,1.572262975,0.783975778,0.76031856,0.172700941,0.366012371,0.943918427,0.943918427,0.943918427,3.432896708,2.521723674,2.457539916,1.386771089,1.121433591,0.399277246,0.399277246,0.399277246,1.747694586,1.155924666,1.058262671,0.376962464,0.104894844,0.399277246,0.399277246,0.399277246,3.626109758,2.930147916,2.838982085,2.048659295,1.7777981,1.207644823,1.207644823,1.207644823,1.516484896,0.700455145,0.631337262,0.311077822,0.563112515,1.207644823,1.207644823,1.207644823,4.214646979,3.323047619,2.634654398,2.102082053,1.282295295,0.585365854,0.585365854,0.585365854,1.671967161,0.878556837,0.841259084,0.016573927,0.290655055,0.585365854,0.585365854,0.585365854,0,0,0,0,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0.182574186,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.731670646,1.879176595,1.576421036,0.365148372,0,0,0,0,0.746334129,0.469794149,0.394105259,0.182574186,0,0,0,0,7.423938123,14.76984705,13.97647059,14.2,8.473011976,116.5531018,0.494929208,0.98465647,0.931764706,0.946666667,0.564867465,7.770206786,0.6347,21.9238,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.713888889,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0.713888889,0,0,0,0,0,0,0,0,0,0,0,0,0,1.286111111,0,0,0,0,0,0,0,0,0,0,0,3.944444444,0,0.305555556,0,0,0,0.439814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.713888889,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0.713888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.972222222,0,0.305555556,0,0,0,0.439814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.713888889,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0.713888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.972222222,0,0.305555556,0,0,0,0.439814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.83333333,2.566666667,0.713888889,8.143518519,0.2625,0.305555556,2.038199074,1.194444444,2.143518519,4.287037037,1.194444444,2.143518519,4.287037037,2.33333,0.46667,0,0.03333,0.48444,0.85333,0.41765,0.48444,0.76111,0.0668,0,-0.0668,0.09222,0.54687,0.16742,0,0.57143,0.21429,0,2.25,0.45,2.25,0.45,0,0,-2.25,-0.45,0,0,3.71082,0.74216,4.43249,0.72167,0.14433,1.94148,0.3883,2.27005,0.32857,0.06571,0.14395,0.02879,0.14395,0.02879,0,4.01,1,1,1,1,1,1,1,1.158938532,1.871602261,2.606238929,2.606238929,2.085320183,0.789230611,17.38407799,28.07403392,39.09358393,39.09358393,31.27980274,11.83845916,0.296639618,0.479051618,0.667087768,0.667087768,0.533754435,0.202009908,2.747952063,2.035288334,1.300651667,1.300651667,1.821570413,3.117659985,0.304394667,0.491575464,0.684527443,0.684527443,0.547708376,0.207291053,10.66110191,15.77621224,16.51659746,16.51659746,10.26557251,0.795406366,18.1875248,14.100286,14.32892941,14.32892941,11.20341694,3.433086801,5,2.25,4,5,0,3,1.79,0.7309,0.5,1,2,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,2.392,4,2,0,0,0,0,0,0,0,15,1.609437912,1.609437912,1.098612289,0,0,0,0,0,0,0,2.772588722,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,4,1,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,20.23,86.5306239,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,74.07316494,4.938210996,8.696801932,1.739360386,2.329115249,2.329115249,0,18,2,0.579,16,1.209285714,2.096561651,2.851352431,3.344286374,3.468316485,0,0,0,0,0,76.07321488,76.80543541,64.02003241,16.71516709,3.524031521,0,0,0,0,0,256.146358,302.2976243,289.843852,158.2971691,107.8082632,0,0,0,0,0,9.195663069,15.50505884,20.77460662,24.56294982,23.30175944,0,0,0,0,0,1.87702597,2.418954685,2.571443123,1.689597865,1.542058267,0,0,0,0,0,178.755922,334.709255,468.0768022,612.1121639,641.3529409,0,0,0,0,0,3.401261905,4.757655256,6.980042179,7.204908131,3.468316485,0,0,0,0,0,0.417144579,0.545917879,0.609531284,0.445465187,0.355155608,0,0,0,0,0,306.9418817,165.8276765,12.0155002,136.7047763,-73.85579084,-19.05180645,170.2371054,239.6834673,31.06730664,0.691861138,0.37378322,0.027083491,0.308138862,-0.166474354,-0.042943649,136.17374,73.56889447,5.330636506,60.64861711,-32.76587478,-8.452270257,0.38821531,0.731956727,5.298868697,26.28591895,394.0855058,49.56115211,0.888286881,0.111713119,283.9246063,16.8500625,6.572556742,389.1388631,19.72660293,7.300762184,426.4238458,20.65003259,7.526859815,1.200879612,1.130580617,179.7098287,135.8239085,65.28876922,1.323108948,2.752538161,2.080356394,3.14789717,2.359935319,4.338528573,0.83840995,3.224442391,3.228337687,3.497879681,9.887623472,1.883384873,3.056374894,1.563542795,0.159719705,1.99E-19,5.17E-59,2.60E-120,2.51E-203,4.69E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290510157,3.355246454,0.30032813,3.453836287,0.068989824,0.115949819,0.01648176,0.016570317,2.22E-20,5.78E-60,2.90E-121,2.81E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.81835312,3.119019887,0.72417378,4.105063624,0.177692025,0.41970631,0.120990106,0.029454953,3.85E-20,1.00E-59,5.03E-121,4.87E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.266568655,3.354876731,3.780347879,9.642362681,1.702170816,2.780255982,1.411428362,0.196137426,2.50E-19,6.50E-59,3.26E-120,3.16E-203,5.89E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.139201109,3.029259643,0.941304826,4.673280019,0.330006215,0.716651796,0.25109004,0.030229649,3.81E-20,9.92E-60,4.98E-121,4.82E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.074611356,3.30855682,4.758304456,12.46711971,2.719218591,4.219097229,2.280176567,0.233246253,2.91E-19,7.56E-59,3.79E-120,3.67E-203,6.85E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.029534004,3.5637013,4.192285817,8.245402508,0.823038935,1.431948665,0.622124614,0.307362039,4.09E-19,1.06E-58,5.34E-120,5.17E-203,9.64E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.717650828,1.330743151,0.532917763,0.479614999,0.371579814,0.489665089,0.470013718,0.403402704,3.581311742,3.910295374,8.709724998,0.27679222,1.363081512,1.814206572,0.739375104,0.144880377,0.672311315,0.273998704,0.598891541,0.151810169,0.029692784,2.698462052,1.711343048,4.60414462,0.508466973,0.780394495,1.53548206,1.044634718,0.314866623,0.530394081,0.360843077,0.408940468,0.297255016,0.143009104,2.894983401,2.416410525,5.816445616,0.336855737,0.849204588,1.779086881,1.296677832,0.511992006,0.495877235,0.361417435,0.530991562,0.450440279,0.37051687,3.587756719,3.881669465,8.650541831,0.285942005,1.351948712,1.482617035,1.163829847,0.392956045,0.487798778,0.382913972,0.367461028,0.361230219,0.224140046,3.039402927,2.765451257,6.482905324,0.306069125,0.952831293,1.762423391,1.357443506,0.555637128,0.479505227,0.36932173,0.515392247,0.48907746,0.436773037,3.675504024,4.125904068,9.130708903,0.273240436,1.441242744,1.778451708,1.300962438,0.51303564,0.495052628,0.36213796,0.529739673,0.452957425,0.371928684,3.592449786,3.893548076,8.673007842,0.285785883,1.354625782 +UMLS0014,L,2-methylpropan-1-ol,CC(C)CO,6560,"""2-methyl-1-propanol""; [5] had 106.5 / 120.7 for RON / BRON","Sandia, UML","[5], [6]",C4H10O,PubChem,,15,0,-0.6961,0.48455521,20.6715,14.50993,0,0,15,5,10,0,4,0,1,0,0,0,0,0,0,0,843.185125,750.047136,853.487804,562.433806,147.355488,12.192768,0,0,0,2221.295828,2687.923385,3243.668662,2771.42227,1484.369629,373.0049332,0,0,0,110.69842,106.185288,184.178432,223.84576,172.295424,80.621568,0,0,0,16.24493305,20.26270678,26.37961435,24.3864222,15.6236948,5.335354858,0,0,0,2541.80523,2097.013603,4030.47633,5109.418917,4216.257792,2219.011824,0,0,0,58.02777778,38,59.66666667,76,46,12,0,0,0,56.21234167,53.57479543,34.13951216,18.74779353,6.139812,1.016064,0,0,0,148.0863886,191.9945275,129.7467465,92.38074234,61.84873452,31.08374443,0,0,0,7.379894667,7.584663429,7.36713728,7.461525333,7.178976,6.718464,0,0,0,1.082995537,1.447336198,1.055184574,0.81288074,0.650987283,0.444612905,0,0,0,169.453682,149.7866859,161.2190532,170.3139639,175.677408,184.917652,0,0,0,3.868518519,2.714285714,2.386666667,2.533333333,1.916666667,1,0,0,0,0.216197349,-0.110450613,0.014042513,-0.020379061,-0.011179857,0.019868345,0,0,0,476.9038497,-65.66428988,-40.39439656,-209.5424144,-108.5230378,185.6722138,0,0,0,665.1575892,-80.97945498,-184.885512,-221.2917839,-100.4615036,255.0394598,0,0,0,1.034995733,-0.103350151,0.003652711,-0.3913104,-0.17665984,0.150169813,0,0,0,2.896898448,-0.288018268,-1.187267327,-0.672028437,-0.218798891,0.917663699,0,0,0,16.06108614,-1.477481838,-7.083971123,-3.258856276,-0.85579307,4.645559237,0,0,0,23.27037037,-4.656049383,1.399382716,-6.707407407,-4.943703704,3.272592593,0,0,0,0.014413157,-0.00788933,5.62E-04,-6.79E-04,-4.66E-04,0.001655695,0,0,0,31.79358998,-4.69030642,-1.615775862,-6.984747147,-4.521793243,15.47268448,0,0,0,44.34383928,-5.784246784,-7.395420478,-7.376392796,-4.185895982,21.25328832,0,0,0,0.068999716,-0.007382154,1.46E-04,-0.01304368,-0.007360827,0.012514151,0,0,0,0.193126563,-0.020572733,-0.047490693,-0.022400948,-0.00911662,0.076471975,0,0,0,1.070739076,-0.105534417,-0.283358845,-0.108628543,-0.035658045,0.387129936,0,0,0,1.551358025,-0.332574956,0.055975309,-0.223580247,-0.205987654,0.272716049,0,0,0,-0.54737,0.038971374,-0.047130692,-0.032319596,0.114873891,0,0,0,-0.147523649,-0.050820806,-0.21969042,-0.142223424,0.486660503,0,0,0,-0.130440821,-0.166774474,-0.16634538,-0.094396337,0.479283902,0,0,0,-0.106988175,0.002117522,-0.18903962,-0.106679087,0.181365257,0,0,0,-0.106524618,-0.245904511,-0.115991024,-0.04720542,0.395968186,0,0,0,-0.098562217,-0.264638558,-0.101451927,-0.033302273,0.361553944,0,0,0,-0.214376663,0.03608149,-0.144119051,-0.132778927,0.175791819,0,0,0,1.43035073,0.70655142,1.266688712,1.079658356,0.283236866,0,0,0,1.394650417,1.074663198,1.209116159,0.930617893,0,0,0,0,1.611680217,1.296114319,1.027155369,0.800789914,0,0,0,0,1.046261318,0.834614455,1.516010114,1.000278198,0,0,0,0,1.696559902,1.411999962,0.9597445,0.714826138,0,0,0,0,1.704790797,1.432823488,0.954436546,0.694968552,0,0,0,0,1.162661149,0.801496101,1.467292695,1.027773357,0,0,0,0,13.95727422,7.103637112,10.86839614,14.10727422,2.821454845,7.105467187,0.25,0.088634171,0.017726834,-1.211618907,12.02410053,2.404820107,1.243456507,13.96008042,7.104673002,10.86965688,14.10963977,2.821927954,7.106500759,0.249265579,0.088565092,0.017713018,-1.212008747,12.0245071,2.404901419,1.243473413,16.47296295,8.036984237,12.20123322,16.23356627,3.246713253,8.037626883,-0.398994478,0.007800936,0.001560187,-2.426755769,15.48900389,3.097800777,1.370065173,13.96302567,7.105760236,10.87098041,14.11212255,2.82242451,7.107585566,0.2484948,0.088492526,0.017698505,-1.212418591,12.02493652,2.404987304,1.243491268,19.17311377,9.045409753,14.34158528,18.52373721,3.704747442,9.045637456,-1.082294264,0.141240331,0.028248066,-0.978646182,39.82646776,7.965293552,1.842265855,14.25158417,7.212359177,11.00239717,14.35546468,2.871092936,7.213964287,0.173134186,0.081047336,0.016209467,-1.25636095,12.08200119,2.416400237,1.24585842,15.0401872,7.813496377,12.45650458,15.39227053,3.078454106,7.814499466,0.586805556,0.120383667,0.024076733,-1.058535705,10.50811491,2.101622982,1.176073904,0,11.99646149,15.99794197,-0.418509322,0.077316056,4.261214377,6.232414071,4,14,14,14,4,0,0,0,0,0,10.93207,3.406798357,2.722975579,2.128007932,1.671412949,0.90425604,0.083923071,0.083923071,0.083923071,1.806936722,1.43187136,0.926196404,0.625057667,0.291744378,0.083923071,0.083923071,0.083923071,3.392535403,2.751266105,2.041205534,1.631836288,0.970331034,0.270913902,0.270913902,0.270913902,1.764034962,1.342889421,0.856704028,0.594678824,0.159498515,0.270913902,0.270913902,0.270913902,3.557555677,2.998025645,2.453877466,2.108977355,1.518705925,0.943918427,0.943918427,0.943918427,1.547889465,1.025235221,0.404631057,0.047733341,0.438601933,0.943918427,0.943918427,0.943918427,3.404000376,2.785438649,2.065986553,1.639664584,1.034664133,0.399277246,0.399277246,0.399277246,1.738102188,1.285876764,0.824940138,0.543957244,0.060252212,0.399277246,0.399277246,0.399277246,3.610874584,3.099703924,2.554771637,2.244894115,1.720995423,1.207644823,1.207644823,1.207644823,1.493369699,0.925753364,0.282706625,0.080863695,0.637336497,1.207644823,1.207644823,1.207644823,4.223225424,3.200918032,2.835524336,2.02022972,1.27661878,0.585365854,0.585365854,0.585365854,1.638663751,1.111960346,0.556513662,0.114915916,0.304561772,0.585365854,0.585365854,0.585365854,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.182574186,0,0,0,0.40824829,0,0,0.182574186,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.731670646,1.950904231,1.257269657,0.590822476,0,0,0,0,0.746334129,0.487726058,0.314317414,0.295411238,0,0,0,0,7.423938123,14.76984705,13.97647059,14.2,8.473011976,116.5531018,0.494929208,0.98465647,0.931764706,0.946666667,0.564867465,7.770206786,0.7772,21.9718,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.665277778,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0.665277778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.334722222,0,0,0,0,0,0,0,0,0,0,0,3.726851852,0,0.861111111,0,0,0,-0.115740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.665277778,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0.665277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.777777778,0,0.861111111,0,0,0,-0.115740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.665277778,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0.665277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.949074074,0,0.861111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.83333333,2.566666667,0.665277778,8.361111111,0.2625,-0.115740741,1.975865741,1.449074074,2.361111111,4.722222222,1.449074074,2.361111111,4.722222222,2.33333,0.46667,0,0.03333,0.48444,0.85333,0.41765,0.48444,0.76111,0.0668,0,-0.0668,0.09222,0.54687,0.16742,0,0.57143,0.21429,0,2.25,0.45,2.25,0.45,0,0,-2.25,-0.45,0,0,3.72133,0.74427,4.43249,0.71116,0.14223,1.97593,0.39519,2.27005,0.29412,0.05882,0.14395,0.02879,0.14395,0.02879,0,4.01,1,1,1,1,1,1,1,1.158938532,1.871602261,2.739572262,3.139572262,2.618653516,1.189230611,17.38407799,28.07403392,41.09358393,47.09358393,39.27980274,17.83845916,0.296639618,0.479051618,0.701215505,0.803598715,0.670265382,0.304393118,2.747952063,2.035288334,1.167318334,0.767318334,1.28823708,2.717659985,0.304394667,0.491575464,0.719547381,0.824607195,0.687788128,0.312350867,10.66110191,15.77621224,18.11659746,18.51972748,12.26870252,1.198536379,18.1875248,14.100286,12.80341694,12.41710322,9.291590746,3.046773087,5,2.25,4,5,0,4,1.79,0.7309,0.333333333,1.414213562,1.414213562,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,2.392,4,2,0,0,0,0,0,0,0,15,1.609437912,1.609437912,1.098612289,0,0,0,0,0,0,0,2.772588722,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,4,1,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,20.23,86.5306239,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,74.07316494,4.938210996,8.696801932,1.739360386,2.31305253,2.31305253,0,18,2,0.742,16,1.209285714,2.097101499,2.82652275,3.401164822,4.232203289,0,0,0,0,0,76.07321488,80.86255987,58.266298,22.49122298,4.300189402,0,0,0,0,0,256.146358,292.5833566,275.6434627,224.1790861,131.5527254,0,0,0,0,0,9.195663069,15.56027504,21.16892491,24.41564145,28.43390544,0,0,0,0,0,1.87702597,2.32167468,2.380552895,2.333127416,1.881692198,0,0,0,0,0,178.755922,334.8392997,479.3305014,591.7291572,782.6090951,0,0,0,0,0,3.337380952,5.298146944,7.354136318,6.566558523,4.232203289,0,0,0,0,0,0.417144579,0.540168048,0.577137006,0.550550239,0.433377617,0,0,0,0,0,301.7784451,158.3469278,12.59980758,160.2987343,-84.11075251,-18.70397793,141.4797107,242.4576803,31.30378551,0.653090995,0.342685021,0.027267756,0.346909005,-0.182027497,-0.040478039,139.4449327,73.16850175,5.822083545,74.07038701,-38.86565927,-8.642681366,0.400419514,0.748528913,8.424052934,24.34430363,408.516248,53.56093134,0.884086612,0.115913388,283.9246063,16.8500625,6.572556742,389.1388631,19.72660293,7.300762184,430.7077729,20.75350026,7.551981252,1.513523352,1.361667188,180.7975766,139.8094598,62.05453681,1.29317127,2.91352713,2.253009481,3.139592126,3.220194404,5.261228039,0.633823111,3.224442391,3.228329692,2.592676891,8.023664815,4.911344299,2.248925578,1.472387121,6.656961858,1.281184098,0.006683872,3.96E-24,4.53E-67,9.99E-132,4.25E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290510157,3.355246397,0.203860181,3.160629,0.316016118,0.027887081,0.166677106,0.321129024,0.009023484,4.71E-05,2.79E-26,3.19E-69,7.04E-134,2.99E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.81835312,3.119019301,0.575860519,3.322457465,0.68716383,0.179060677,0.397212188,1.193167919,0.094031664,4.91E-04,2.91E-25,3.32E-68,7.33E-133,3.12E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.266568655,3.354869608,2.61743121,8.137299549,4.62818452,2.045346434,1.410589552,6.120066074,1.141511966,0.00595521,3.53E-24,4.04E-67,8.90E-132,3.79E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.139201109,3.029258368,0.811829706,3.606855395,1.078676245,0.362599447,0.558326504,1.916870058,0.20424934,0.001065558,6.32E-25,7.22E-68,1.59E-132,6.77E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.074611356,3.308545161,3.386567541,10.19148845,6.878376059,3.27967939,1.837891453,8.814047031,1.8684866,0.0097478,5.78E-24,6.61E-67,1.46E-131,6.20E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.029533971,3.540884206,2.192905703,8.410368849,3.16451183,0.965650126,1.105155947,3.503329126,0.439001809,0.00229025,1.36E-24,1.55E-67,3.42E-132,1.46E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.613462592,0.813613763,0.534317788,0.659733038,0.205385714,0.530515717,0.398155388,0.403849047,3.961394142,3.95749699,9.055037298,0.489599557,1.332520152,1.762460539,0.749540115,0.142294487,0.664003227,0.28238763,0.250926653,0.331690678,0.029558274,2.654295141,1.678478721,4.520749842,0.49600484,0.612175604,2.216960505,0.650193071,0.313822327,0.696943508,0.204400502,0.382445156,0.262814174,0.14596762,3.180975904,2.341229169,5.974565007,0.545415262,0.79122695,2.539335226,0.851564181,0.513116462,0.65044183,0.218125184,0.500824982,0.43674094,0.372432181,3.904015869,3.902333229,8.915915687,0.475662745,1.309998103,2.408582853,0.634842033,0.392865987,0.700925196,0.184746302,0.450638735,0.251766677,0.229887696,3.436290873,2.724727756,6.76173808,0.551387794,0.932293108,2.644000594,0.847317398,0.557085551,0.653097095,0.209296674,0.543002507,0.429882211,0.435730318,4.048403544,4.185270512,9.481717108,0.479645643,1.408615036,2.553385489,0.849258958,0.514136647,0.651909164,0.21682574,0.506369371,0.434125986,0.373432631,3.916781094,3.917909706,8.949588664,0.477863746,1.313927987 +UMLS0015,L,2-butanol,CCC(C)O,6568,,"Sandia, UML",[9],C4H10O,PubChem,,14,0,-0.1678,0.02815684,21.2183,13.176344,0,0,13,5,8,0,4,0,1,0,0,0,0,0,0,0,841.152997,721.813056,801.039548,520.016158,127.119888,9.144576,0,0,0,2159.128339,2491.173138,2817.445182,2240.709955,1120.963057,279.7536999,0,0,0,97.261492,89.596488,153.354368,162.18208,111.43008,60.466176,0,0,0,15.35570724,18.61439448,22.50421343,18.37811184,10.95324725,4.001516144,0,0,0,2171.969926,1758.706778,3385.92441,3540.545362,2583.794029,1664.258868,0,0,0,70.02777778,35.5,54.66666667,72.5,39,9,0,0,0,64.70407669,60.151088,38.14474038,24.76267419,8.4746592,1.016064,0,0,0,166.0867953,207.5977615,134.1640563,106.700474,74.73087045,31.08374443,0,0,0,7.481653231,7.466374,7.302588952,7.72295619,7.428672,6.718464,0,0,0,1.181208249,1.55119954,1.071629211,0.875148183,0.730216483,0.444612905,0,0,0,167.0746097,146.5588982,161.2344957,168.5973982,172.2529352,184.917652,0,0,0,5.386752137,2.958333333,2.603174603,3.452380952,2.6,1,0,0,0,0.116734907,-0.043719365,0.016018701,-0.016640793,-0.020549681,0.006523684,0,0,0,441.1976548,-41.78727394,69.51147299,-238.9624972,-194.75808,185.3975508,0,0,0,616.1115392,-93.79664945,-55.60441254,-213.0974229,-200.2194672,254.6621825,0,0,0,1.006116923,-6.21E-04,0.13220097,-0.503992568,-0.280593373,0.149947669,0,0,0,2.72042466,-0.468030278,-0.785752447,-0.499870012,-0.522865801,0.916306209,0,0,0,15.16770937,-2.625121323,-5.163715131,-2.13547618,-2.298229156,4.638687108,0,0,0,32.23076923,-1.225838264,4.037475345,-13.93688363,-9.464990138,4.474852071,0,0,0,0.008979608,-0.00364328,7.63E-04,-7.92E-04,-0.001369979,7.25E-04,0,0,0,33.93828114,-3.482272828,3.310070142,-11.37916654,-12.983872,20.59972786,0,0,0,47.39319532,-7.816387454,-2.647829169,-10.14749633,-13.34796448,28.29579805,0,0,0,0.077393609,-5.18E-05,0.006295284,-0.023999646,-0.018706225,0.016660852,0,0,0,0.209263435,-0.039002523,-0.037416783,-0.023803334,-0.03485772,0.101811801,0,0,0,1.166746874,-0.21876011,-0.245891197,-0.101689342,-0.153215277,0.515409679,0,0,0,2.479289941,-0.102153189,0.192260731,-0.663661125,-0.630999343,0.497205786,0,0,0,-0.405728217,0.084947504,-0.088246468,-0.152565536,0.080722209,0,0,0,-0.102606046,0.09753205,-0.335290007,-0.382573058,0.606976169,0,0,0,-0.164926366,-0.055869395,-0.214112939,-0.281643058,0.597043476,0,0,0,-6.69E-04,0.081341138,-0.31009855,-0.241702448,0.215274261,0,0,0,-0.18638002,-0.178802298,-0.113748175,-0.166573391,0.486524561,0,0,0,-0.187495776,-0.210749394,-0.087156301,-0.131318352,0.441749355,0,0,0,-0.041202599,0.077546691,-0.267681934,-0.254508088,0.200543622,0,0,0,1.062215437,0.681919935,1.593286668,1.163224051,0.002857259,0,0,0,1.115636275,0.804607552,1.365168907,1.269803936,0,0,0,0,1.489558193,1.075951506,1.044664406,1.03949117,0,0,0,0,0.504012991,0.535606025,1.889417436,1.401756762,0,0,0,0,1.618280118,1.215260987,0.934331327,0.895946666,0,0,0,0,1.624974654,1.239232173,0.928593153,0.86506482,0,0,0,0,0.548130469,0.537049665,1.853449256,1.414797136,0,0,0,0,12.77619957,6.513099786,10.22505772,12.92619957,2.585239914,6.516774527,0.25,0.1306296,0.02612592,-1.01769472,11.90914351,2.381828702,1.238653234,12.77777588,6.513520731,10.22558559,12.92733523,2.585467046,6.517193046,0.249265579,0.13061915,0.02612383,-1.017734719,11.90897455,2.38179491,1.23864614,14.1751531,6.888079312,10.73747523,13.93575642,2.787151283,6.890260255,-0.398994478,0.11840198,0.023680396,-1.066834918,12.03449998,2.406899996,1.243888762,12.77943025,6.513962525,10.22613968,12.92852713,2.585705426,6.517632296,0.2484948,0.130608178,0.026121636,-1.017776721,11.90879763,2.381759525,1.238638712,15.6579477,7.287826716,11.45798465,15.00857114,3.001714227,7.289195865,-1.082294264,0.090476734,0.018095347,-1.201331272,14.22786058,2.845572117,1.327601028,12.94127396,6.557204073,10.28080082,13.04515447,2.609030894,6.560636876,0.173134186,0.129509581,0.025901916,-1.022000209,11.89363693,2.378727385,1.238001773,13.76630139,7.005248527,11.2898956,13.9028887,2.780577739,7.007901847,0.682936508,0.169182504,0.033836501,-0.888388621,10.79525804,2.159051608,1.189553484,0,11.89,15.99491564,-0.299501627,0.190864822,3.800872342,5.916761187,4,12,11,11,3,1,1,0,0,1,9.703656,3.481460676,2.739456945,2.081809984,1.560661502,0.083923071,0.083923071,0.083923071,0.083923071,1.77759456,1.418816429,0.878342149,0.204837785,0.083923071,0.083923071,0.083923071,0.083923071,3.424539498,2.758788548,2.026000513,1.518530057,0.270913902,0.270913902,0.270913902,0.270913902,1.750226965,1.333860063,0.784330887,0.33189989,0.270913902,0.270913902,0.270913902,0.270913902,3.585319586,3.000262615,2.389565097,1.968602082,0.943918427,0.943918427,0.943918427,0.943918427,1.545897766,1.020838251,0.365028945,0.150433645,0.943918427,0.943918427,0.943918427,0.943918427,3.421895474,2.788547393,2.048278811,1.516985726,0.399277246,0.399277246,0.399277246,0.399277246,1.73687986,1.279168899,0.733906404,0.347680984,0.399277246,0.399277246,0.399277246,0.399277246,3.619308344,3.097070159,2.492306145,2.06826822,1.207644823,1.207644823,1.207644823,1.207644823,1.506092443,0.926061839,0.24808145,0.235603407,1.207644823,1.207644823,1.207644823,1.207644823,4.661176504,3.108505558,2.737414498,1.92553455,0.558139535,0.558139535,0.558139535,0.558139535,1.593937563,1.117178388,0.546550171,0.40643036,0.558139535,0.558139535,0.558139535,0.558139535,0,0,0,1,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.144337567,0,0,0,0.40824829,0,0,0.144337567,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.615355072,1.764784317,1.055568494,0.497890958,0,0,0,0,0.723071014,0.441196079,0.263892123,0.248945479,0,0,0,0,6.88211032,12.8820102,12.25098039,12.44,7.674457485,100.2675413,0.529393102,0.990923861,0.942383107,0.956923077,0.590342883,7.712887794,0.9854,20.972,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.707291667,0.802777778,0,0,0,0,0,0,0,0,0,0,3.43287037,0,0.666666667,0,0,0,0,0,0,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305902778,0.401388889,0,0,0,0,0,0,0,0,0,0,1.583333333,0,0.666666667,0,0,0,0,0,0,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,1.849537037,0,0.666666667,0,0,0,0,0,0,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.16666667,2.833333333,0.644097222,9.8125,0.305902778,0.25462963,1.768430556,1.412037037,2.8125,5.625,1.412037037,2.8125,5.625,2.33333,0.46667,0,0.03333,0.51282,0.85333,0.41765,0.51282,0.85333,0.09517,0,-0.09517,0,0.54687,0.16742,0,0.57143,0.21429,0,3.75,0.75,2.25,0.45,1.5,0.3,-0.75,-0.15,0,0,2.86751,0.5735,4.43249,1.56498,0.313,1.52767,0.30553,2.27005,0.74238,0.14848,0.14395,0.02879,0.14395,0.02879,0,4.01,1,1,1,1,0,0,0.75,1.238901257,1.854285872,2.81507241,2.81507241,2.091927838,0.514835639,16.10571634,24.10571634,36.59594133,36.59594133,27.1950619,6.692863305,0.334798389,0.501098792,0.760739973,0.760739973,0.565318718,0.139128233,2.461538462,1.846153846,0.885367308,0.885367308,1.60851188,3.185604079,0.334798389,0.501098792,0.760739973,0.760739973,0.565318718,0.139128233,11.26589917,18.65051456,19.61881928,19.61881928,10.94108442,0.518864244,18.28260559,12.5570933,12.86880152,12.86880152,11.02264767,3.089013833,5,2.25,4,5,1,4,1.79,0.6879,0.333333333,1.414213562,1.414213562,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,2.39,4,2,0,0,0,0,0,0,0,15,1.791759469,1.945910149,1.386294361,0,0,0,0,0,0,0,2.995732274,1.266666667,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,3,0.75,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,17.07,83.8941652,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,72.05751488,5.54288576,8.696801932,1.739360386,2.31305253,2.31305253,0,18,2,0.438,16,1.221083333,2.099772918,2.904872235,3.603141743,4.74351686,0,0,0,0,0,82.91991531,91.01101631,76.55742057,31.70819485,4.819716715,0,0,0,0,0,275.8751935,306.311941,326.4894081,286.2616583,147.4462658,0,0,0,0,0,9.14481753,15.46361024,22.47891371,26.52321,31.86914726,0,0,0,0,0,2.016443013,2.382180892,2.648824038,2.807975132,2.10902881,0,0,0,0,0,177.0345897,334.647534,487.0357992,611.6549473,877.1600002,0,0,0,0,0,3.679986111,5.863484892,10.10492466,8.874376746,4.74351686,0,0,0,0,0,0.439259375,0.551531963,0.656330969,0.666619237,0.485736127,0,0,0,0,0,331.5235352,120.5879334,8.305458331,122.7092591,-44.63410408,-18.67389915,208.814276,165.2220375,26.97935748,0.729853809,0.265476062,0.018284585,0.270146191,-0.098262619,-0.041110856,150.5888618,54.77499397,3.772611546,55.73856967,-20.27427382,-8.482297392,0.355480766,0.823365415,2.280595705,41.24593298,404.1384714,50.09432293,0.889716631,0.110283369,320.13246,17.89224581,6.840847421,397.6287486,19.9406306,7.353474524,470.7611015,21.69702978,7.779174677,1.43651594,1.283100829,177.1355082,134.5796116,52.62682671,1.316213549,3.365878569,2.557243519,3.066871681,3.18658557,5.271540682,0.654291268,2.244419464,2.932703488,2.207360848,4.226063592,2.385408512,1.056015733,1.193109647,4.906929998,1.465077131,0.010821517,1.80E-23,5.77E-66,3.57E-130,4.26E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.204852337,2.932605608,0.181229695,2.21010592,0.10907198,0.110377275,0.210262273,0.316762492,0.010318658,7.62E-05,1.27E-25,4.06E-68,2.51E-132,3.00E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.613910393,2.932494545,0.461673028,2.145306197,0.304568405,0.197894696,0.408314574,1.085173912,0.107528372,7.94E-04,1.32E-24,4.23E-67,2.62E-131,3.12E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.12365973,2.932751156,2.328760228,4.219365685,2.400525241,1.295298803,1.132032032,4.566299496,1.305357347,0.009641777,1.60E-23,5.14E-66,3.18E-130,3.79E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.897215541,2.932462367,0.61954906,2.251840068,0.45538232,0.204490751,0.545033703,1.662707166,0.233565993,0.001725191,2.87E-24,9.20E-67,5.69E-131,6.79E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.710484556,2.932820006,2.969799732,5.153673586,3.426321908,1.537066458,1.420283987,6.235829705,2.136677305,0.015782165,2.62E-23,8.41E-66,5.20E-130,6.21E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.351274107,2.689716864,2.472765171,4.372262362,2.154264068,2.141250433,0.813375032,2.67209786,0.456400447,0.003371116,5.60E-24,1.80E-66,1.11E-130,1.33E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.027551607,0.722277129,0.384336023,0.732324855,0.174709324,0.604534484,0.417786721,0.4615227,4.134164759,3.627925547,8.602529912,0.598487282,1.483843905,1.815366938,0.78205338,0.069845358,0.680609717,0.293204155,0.224879182,0.424963504,0.015242141,2.667265676,1.601131602,4.3675577,0.520914576,0.665084828,2.406592006,0.610115198,0.196681769,0.748926453,0.189866587,0.382640339,0.290662255,0.120864593,3.213388973,2.061629668,5.56380616,0.62338968,0.794167186,2.921986843,0.774761263,0.366104671,0.719195847,0.190693905,0.563154987,0.478054161,0.418775651,4.062852777,3.617238968,8.508894956,0.57879377,1.459984799,2.676125482,0.563137637,0.259944912,0.764780333,0.160932883,0.472423041,0.251879722,0.211122016,3.499208031,2.349056945,6.240008971,0.647170499,0.935424779,3.084448587,0.754783018,0.405757721,0.726609268,0.177805634,0.627475109,0.456679776,0.514404156,4.244989327,3.885887282,9.075516864,0.589913902,1.598559041,2.9230684,0.779276526,0.365313768,0.718612013,0.191578641,0.563573536,0.483600161,0.416968227,4.067658693,3.630396161,8.530195264,0.577918019,1.464141924 +UMLS0016,L,2-Butanone,CCC(=O)C,6569,Not using Co-optima vals,"Sandia, UML",[9],C4H8O,PubChem,,-0.2,0,1.1458,1.31285764,28.5356,19.895102,0,0,20,6,14,0,6,0,0,0,0,0,0,0,0,0,879.809622,890.819837,1095.705078,929.26378,321.052032,36.578304,0,0,0,2976.273833,3723.897138,4979.365438,5310.781543,3686.191126,1119.0148,0,0,0,139.301592,137.349428,253.98204,316.795792,372.377088,241.864704,0,0,0,22.95798067,29.53412034,42.11255244,48.11480844,40.06345059,16.00606457,0,0,0,3349.613265,2777.687448,5735.98382,7198.538237,9222.470706,6657.035473,0,0,0,33.55555556,39.11111111,57.33333333,77,78,36,0,0,0,43.9904811,46.88525458,30.43625217,20.65030622,5.945408,1.016064,0,0,0,148.8136916,195.9945862,138.3157066,118.0173676,68.26279863,31.08374443,0,0,0,6.9650796,7.228917263,7.055056667,7.039906489,6.895872,6.718464,0,0,0,1.147899033,1.554427386,1.169793123,1.069217965,0.741915752,0.444612905,0,0,0,167.4806632,146.1940762,159.3328839,159.9675164,170.7864946,184.917652,0,0,0,1.677777778,2.058479532,1.592592593,1.711111111,1.444444444,1,0,0,0,0.027594054,-0.007043022,0.002962385,-0.012271457,-0.016759411,0.019314479,0,0,0,508.4772378,-59.32234441,29.05584216,-332.9315247,-283.2944611,392.2538692,0,0,0,945.5351364,-110.3124326,54.03057923,-619.100387,-526.7981474,729.4128195,0,0,0,0.0996072,-0.01162084,0.00569184,-0.065219,-0.05549544,0.07683984,0,0,0,4.226981996,-0.4931479,0.241541828,-2.767666783,-2.355032827,3.260814683,0,0,0,22.96103329,-2.678787217,1.312059045,-15.03400989,-12.79257569,17.71279711,0,0,0,3.133333333,-1.876666667,1.093333333,-0.083333333,-2.66,1.96,0,0,0,0.001379703,-3.71E-04,8.23E-05,-2.73E-04,-3.10E-04,5.37E-04,0,0,0,25.42386189,-3.122228653,0.807106727,-7.398478328,-5.246193723,10.89594081,0,0,0,47.27675682,-5.805917504,1.500849423,-13.75778638,-9.755521249,20.26146721,0,0,0,0.00498036,-6.12E-04,1.58E-04,-0.001449311,-0.001027693,0.00213444,0,0,0,0.2113491,-0.025955153,0.006709495,-0.061503706,-0.043611719,0.090578186,0,0,0,1.148051665,-0.140988801,0.036446085,-0.334089109,-0.23689955,0.492022142,0,0,0,0.156666667,-0.09877193,0.03037037,-0.001851852,-0.049259259,0.054444444,0,0,0,-0.268670478,0.059642171,-0.197650581,-0.224946633,0.388861534,0,0,0,-0.122807018,0.031746032,-0.291005291,-0.206349206,0.428571429,0,0,0,-0.122807018,0.031746032,-0.291005291,-0.206349206,0.428571429,0,0,0,-0.122807018,0.031746032,-0.291005291,-0.206349206,0.428571429,0,0,0,-0.122807018,0.031746032,-0.291005291,-0.206349206,0.428571429,0,0,0,-0.122807018,0.031746032,-0.291005291,-0.206349206,0.428571429,0,0,0,-0.630459127,0.193853428,-0.011820331,-0.314420804,0.34751773,0,0,0,1.809873071,0.956540033,1.346942481,1.121565904,0,0,0,0,1.666666667,1.130952381,1.407407407,1.005291005,0,0,0,0,1.666666667,1.130952381,1.407407407,1.005291005,0,0,0,0,1.666666667,1.130952381,1.407407407,1.005291005,0,0,0,0,1.666666667,1.130952381,1.407407407,1.005291005,0,0,0,0,1.666666667,1.130952381,1.407407407,1.005291005,0,0,0,0,2.234042553,0.617612293,1.1678487,1.34751773,0,0,0,0,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,27.43671497,13.60724638,20.69276325,27.28856682,4.548094471,13.6072487,-0.222222222,0,0,0,13.73763424,2.289605707,1.572083455,0,11.89,12.11007471,-0.163517376,0.057321995,5.749051625,7.648565496,5,19,19,19,5,0,0,0,0,0,15.304898,3.512766786,2.871866666,2.333552793,2.333552793,1.491291468,0.839455485,0.083923071,0.083923071,1.914834965,1.536478099,1.249629723,1.249629723,0.628641045,0.299734013,0.083923071,0.083923071,3.539373167,2.91948901,2.405454588,2.405454588,1.584452965,0.969374948,0.270913902,0.270913902,1.85520549,1.445894467,1.134540686,1.134540686,0.491830665,0.136103862,0.270913902,0.270913902,3.657377608,3.125257702,2.704236987,2.704236987,1.965177229,1.478968236,0.943918427,0.943918427,1.681111762,1.165396028,0.76031856,0.76031856,0.035277323,0.430678044,0.943918427,0.943918427,3.559031887,2.954421258,2.457539916,2.457539916,1.651626284,1.061748034,0.399277246,0.399277246,1.817335127,1.386951568,1.058262671,1.058262671,0.400279674,0.025152113,0.399277246,0.399277246,3.715368235,3.222531966,2.838982085,2.838982085,2.13284465,1.693474229,1.207644823,1.207644823,1.627333109,1.073816082,0.631337262,0.631337262,0.12661656,0.640892843,1.207644823,1.207644823,3.526659613,3.033678287,2.598486893,2.598486893,1.687769814,1.13070709,0.5625,0.5625,1.836166495,1.291912864,0.910986893,0.910986893,0.328218881,0.077483438,0.5625,0.5625,0,0,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0.666666667,0,0.333333333,0,0.666666667,0,0.333333333,0,1.333333333,0,0,1.333333333,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,9.792794627,19.21485798,18.07843137,18.32,11.58988144,154.455091,0.489639731,0.960742899,0.903921569,0.916,0.579494072,7.722754551,2.2984,29.676,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,8.962962963,0,0,0,0,0,1.703703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.240740741,0,0,0,0,0,0.851851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.240740741,0,0,0,0,0,0.851851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.66666667,1.777777778,0.2,2.240740741,0.2,0.851851852,4.596074074,0.481481481,0.240740741,1.925925926,0.481481481,0.240740741,1.925925926,3,0.5,0,0,0.42,0.7,0.42,0.42,0.7,0,0,0,0,0.71429,0,0,0.66667,0.33333,0,2.5,0.41667,2.5,0.41667,0,0,-2.5,-0.41667,0,0,6.13075,1.02179,6.13075,0,0,2.64272,0.44045,2.64272,0,0,0.27128,0.04521,0.27128,0.04521,0,5,0,0,0,0,0,0,1,0.881290899,1.156779649,1.570950594,1.570950594,1.238757785,0.442179356,17.62581798,23.13559299,31.41901189,31.41901189,24.7751557,8.84358713,0.203911514,0.267653608,0.363483742,0.363483742,0.286621563,0.102310669,3.440637196,3.165148445,2.7509775,2.7509775,3.08317031,3.879748738,0.207463733,0.27231624,0.369815772,0.369815772,0.291614624,0.104092962,6.616095946,9.921960949,10.33937279,10.33937279,6.353059081,0.445639424,23.80204551,20.17438566,21.10210647,21.10210647,17.11579275,5.306152278,6,2.222222222,3,6,0,4,2.12,0.954,2.289428485,0,5.656854249,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,2.312,6,4,0,0,0,0,0,0,0,21,1.791759469,1.945910149,1.609437912,0,0,0,0,0,0,0,3.091042453,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,5,1,0,2,3,0.5,2,0.888888889,0,0,0,0,0,0,0,0,0.4,0.148148148,0,0,0,0,0,0,0,0,0.548148148,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,0,112.3323665,3.584962501,3.135494216,3.761200116,4.465908119,5.141663557,5.837730447,6.52649486,7.220373837,7.912423121,8.605753368,63.60704164,2.397895273,0,3.555348061,0,4.875197323,0,6.244166901,0,7.626082758,7.917536354,86.10955045,4.305477522,10.52364588,1.75394098,0,0,0,29,4,3.632,22,1.220894737,2.102277173,2.89859324,3.47334354,4.115165053,0,0,0,0,0,67.74862772,73.47135818,66.05620195,22.07028228,4.181271064,0,0,0,0,0,263.8372191,318.2040354,359.7349777,247.8091267,127.9147388,0,0,0,0,0,8.859366903,14.89518524,20.44560421,24.00283269,27.64758826,0,0,0,0,0,2.030985313,2.627636527,3.206787562,2.662562765,1.829655488,0,0,0,0,0,176.3944505,330.3755672,460.8234501,589.1298589,760.9666592,0,0,0,0,0,2.559625731,3.497124995,5.089937611,5.145068617,4.115165053,0,0,0,0,0,0.422269342,0.554342331,0.68472227,0.585699749,0.421392901,0,0,0,0,0,341.5644253,115.1736308,8.129582118,112.4603776,-37.92101593,-6.373387515,229.1040477,153.0946467,14.50296963,0.752303449,0.253672553,0.01790559,0.247696551,-0.083521904,-0.014037532,155.0787209,52.29168502,3.691031919,51.05980078,-17.21708178,-2.89367601,0.087844528,0.184849795,1.476908679,9.07452503,454.0248029,0,1,0,310.4078457,17.6183951,6.770866172,446.0263509,21.11933595,7.640471717,503.5591896,22.44012455,7.95579362,1.095700112,1.095700112,255.679439,164.7124546,118.6666439,1.55227751,2.154602428,1.388026569,3.532260473,3.220218461,5.261260744,0.633821061,3.904607748,4.742636052,2.408522585,18.69618632,4.510970233,1.635278887,6.001064432,13.31635606,3.754449779,0.01337715,7.94E-24,9.09E-67,2.01E-131,8.55E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,4.742376457,0.139023705,6.586708969,1.027368117,0.01558003,0.497688558,0.642336396,0.026442897,9.42E-05,5.59E-26,6.40E-69,1.41E-133,6.03E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,4.742394355,0.490368403,8.371590147,1.27629144,0.130407557,1.412112496,2.386671638,0.275555372,9.82E-04,5.83E-25,6.67E-68,1.47E-132,6.28E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,4.742607746,2.229996002,17.71184279,4.134211783,1.4597836,5.59023834,12.24234147,3.34514716,0.0119188,7.08E-24,8.10E-67,1.79E-131,7.62E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,4.74241706,0.764783446,9.800816279,1.584392628,0.273304842,2.101872218,3.834318875,0.59854309,0.002132616,1.27E-24,1.45E-67,3.20E-132,1.36E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,4.742754953,3.114477054,22.61668698,6.091573284,2.371735558,7.606091609,17.63144173,5.475512154,0.019509317,1.16E-23,1.33E-66,2.93E-131,1.25E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.35322342,3.734703825,0.984485015,11.91723254,2.396995125,0.533363303,3.389934893,6.470975941,1.187931375,0.004232614,2.51E-24,2.88E-67,6.35E-132,2.71E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.353508434,1.82696324,0.547657828,0.497767338,0.386402961,0.595617779,0.646277336,0.461231332,4.728129502,6.58924143,13.67217549,0.326255448,1.703126448,1.751870811,1.217133898,0.160766133,0.559744115,0.388889142,0.332177479,0.286837563,0.040820821,3.129770842,2.609576755,6.082143008,0.422949886,0.659835863,2.002531867,1.471359938,0.3222038,0.527524087,0.38759823,0.432713285,0.419176727,0.162096932,3.796095606,4.065746306,8.81119774,0.372683475,1.013986944,2.339742386,1.813022796,0.538826507,0.498709722,0.386440875,0.58874169,0.636452266,0.446733762,4.691591689,6.47962624,13.45692336,0.327725895,1.671927718,2.109123706,1.579398549,0.390741833,0.517035343,0.387177323,0.479456928,0.482995158,0.237266936,4.079264088,4.772406869,10.15328941,0.356318998,1.199719023,2.39626597,1.870259062,0.575082531,0.494931888,0.386288859,0.617228405,0.677271566,0.507676046,4.841607563,6.935242158,14.35416153,0.32183112,1.802176018,2.345528543,1.818407862,0.538649062,0.498774251,0.386682576,0.591554415,0.640238681,0.446069402,4.702585468,6.508027983,13.5080204,0.32818524,1.677862498 +UMLS0017,L,"2,3-Dimethylbutane",CC(C)C(C)C,6589,,"Sandia, UML",[9],C6H14,PubChem,,10,0,1.5162,2.29886244,44.5386,28.268688,0,0,26,10,16,0,10,0,0,0,0,0,0,0,0,0,1458.898234,1780.618739,2622.07984,2464.702309,1324.899917,331.212672,27.433728,0,0,4732.508928,6494.471781,9986.607026,11261.74726,8567.052789,3997.02857,839.2610996,0,0,182.900584,196.827788,372.49216,493.420756,600.65906,439.561728,181.398528,0,0,35.00280648,48.49460896,77.3517497,93.26273012,81.39792133,44.50957963,12.00454843,0,0,4226.625993,3844.69868,7890.867563,10477.55014,14117.93169,11071.64723,4992.776605,0,0,44.39583333,54.88888889,88.86111111,121.8888889,130,86,27,0,0,56.11147054,65.94884219,50.42461231,35.72032332,15.40581299,5.175198,1.016064,0,0,182.0195742,240.5359919,192.0501351,163.2137285,99.61689289,62.45357141,31.08374443,0,0,7.034637846,7.289918074,7.163310769,7.151025449,6.984407674,6.868152,6.718464,0,0,1.346261788,1.796096628,1.487533648,1.35163377,0.946487457,0.695462182,0.444612905,0,0,162.5625382,142.3962474,151.7474531,151.8485527,164.1619964,172.9944879,184.917652,0,0,1.707532051,2.032921811,1.708867521,1.766505636,1.511627907,1.34375,1,0,0,0.040369169,-0.002397782,0.001990696,-0.021184549,-0.013804492,-0.007026008,0.022237551,0,0,745.0215938,45.8474827,214.1937082,-636.1338224,-508.6205112,28.65467669,483.5476691,0,0,1385.399467,85.25535183,398.3023469,-1182.918007,-945.8015594,53.2845949,899.1775389,0,0,0.145944615,0.008981207,0.041959077,-0.124614249,-0.099635266,0.005613254,0.094723669,0,0,6.193380214,0.38113109,1.780596812,-5.288193875,-4.228173031,0.238206931,4.019741966,0,0,33.64253962,2.070310131,9.672230141,-28.72555306,-22.96750301,1.293943832,21.83530216,0,0,3.562232906,-1.292457676,1.241185897,-1.796833909,-0.196766108,-1.467291256,1.731046598,0,0,0.00155266,-8.88E-05,3.83E-05,-3.07E-04,-1.61E-04,-1.10E-04,8.24E-04,0,0,28.65467669,1.698054915,4.119109774,-9.21933076,-5.914191991,0.447729323,17.90917293,0,0,53.2845949,3.157605624,7.659660516,-17.14373923,-10.99769255,0.832571795,33.30287181,0,0,0.005613254,3.33E-04,8.07E-04,-0.001806004,-0.00115855,8.77E-05,0.003508284,0,0,0.238206931,0.014115966,0.034242246,-0.076640491,-0.049164803,0.003721983,0.148879332,0,0,1.293943832,0.076678153,0.186004426,-0.416312363,-0.267063988,0.020217872,0.808714895,0,0,0.137008958,-0.047868803,0.02386896,-0.026041071,-0.002287978,-0.022926426,0.064112837,0,0,-0.057196494,0.024656137,-0.197739611,-0.103382141,-0.070705337,0.53045278,0,0,0.059259259,0.14375,-0.32173913,-0.206395349,0.015625,0.625,0,0,0.059259259,0.14375,-0.32173913,-0.206395349,0.015625,0.625,0,0,0.059259259,0.14375,-0.32173913,-0.206395349,0.015625,0.625,0,0,0.059259259,0.14375,-0.32173913,-0.206395349,0.015625,0.625,0,0,0.059259259,0.14375,-0.32173913,-0.206395349,0.015625,0.625,0,0,-0.349384475,0.174214591,-0.190068383,-0.016699477,-0.167335233,0.467946315,0,0,1.266440244,1.00759,1.304642559,1.025095651,0.906761576,0.081486295,0,0,1.203703704,0.9765625,1.413043478,1.110101744,0.76171875,0,0,0,1.203703704,0.9765625,1.413043478,1.110101744,0.76171875,0,0,0,1.203703704,0.9765625,1.413043478,1.110101744,0.76171875,0,0,0,1.203703704,0.9765625,1.413043478,1.110101744,0.76171875,0,0,0,1.203703704,0.9765625,1.413043478,1.110101744,0.76171875,0,0,0,1.693145496,0.664973382,1.290460341,0.939596262,1.169678338,0,0,0,39.92381683,19.7199784,27.4566027,39.92381683,3.992381683,19.71997841,7.11E-15,0.035593646,0.003559365,-3.335588142,145.9385937,14.59385937,4.983185942,39.92381683,19.7199784,27.4566027,39.92381683,3.992381683,19.71997841,7.11E-15,0.035593646,0.003559365,-3.335588142,145.9385937,14.59385937,4.983185942,39.92381683,19.7199784,27.4566027,39.92381683,3.992381683,19.71997841,7.11E-15,0.035593646,0.003559365,-3.335588142,145.9385937,14.59385937,4.983185942,39.92381683,19.7199784,27.4566027,39.92381683,3.992381683,19.71997841,7.11E-15,0.035593646,0.003559365,-3.335588142,145.9385937,14.59385937,4.983185942,39.92381683,19.7199784,27.4566027,39.92381683,3.992381683,19.71997841,7.11E-15,0.035593646,0.003559365,-3.335588142,145.9385937,14.59385937,4.983185942,39.92381683,19.7199784,27.4566027,39.92381683,3.992381683,19.71997841,7.11E-15,0.035593646,0.003559365,-3.335588142,145.9385937,14.59385937,4.983185942,49.21758221,24.40758742,35.12811696,49.01541554,4.901541554,24.40758742,-0.336944444,0.180684635,0.018068463,-1.711002116,74.02027556,7.402027556,4.30433905,0,11.89,12.11015511,-0.153423378,0.069300431,6.577301475,9.816076602,11,27,26,26,10,1,1,0,0,1,17.491312,3.902054326,3.173607675,2.749668339,2.564276873,2.333552793,2.073444367,1.41256801,1.159588096,2.125583559,1.606580886,1.395579907,1.249629723,1.224216765,0.851614291,0.522646307,0.421216994,3.915982867,3.198696865,2.792161841,2.609682838,2.405454588,2.133637739,1.498354552,1.260702385,2.090110827,1.536801694,1.302965327,1.134540686,1.131777154,0.750928313,0.383966589,0.269854356,3.978823716,3.317045018,2.984187961,2.809854116,2.704236987,2.384397441,1.860537895,1.682509344,1.991730114,1.34215039,1.023015111,0.849575875,0.76031856,0.431633738,0.071042959,0.239156422,3.926321627,3.217622245,2.823832491,2.643220977,2.457539916,2.177278648,1.560959119,1.334316387,2.068088436,1.493145015,1.24314831,1.071916453,1.058262671,0.684997995,0.291653469,0.168187656,4.010549246,3.379074996,3.07891581,2.906445494,2.838982085,2.498062194,2.02492274,1.869907755,1.962628007,1.285861395,0.935020674,0.759246798,0.631337262,0.323103363,0.228316303,0.419922508,3.882443634,3.317270111,2.902486447,2.688719384,2.662620106,2.259781596,1.620964365,1.415882367,2.119109829,1.367149078,1.134602198,1.005377287,0.85357488,0.580850686,0.184269599,0.032951857,0,0,0,1,1,3,2,2,1,0,0.11785113,0.387076975,0.759946456,1.178528219,0,0.11785113,0.377961159,0.667227585,0.926021831,1.40857456,0.166666667,0.648271461,0.151374715,1.323749909,0.166666667,0.589843002,0.142258898,3.260153798,4.31544863,4.893089478,2.971157092,3.617852564,3.767092819,7.353371151,4.621027034,4.915120116,4.203665235,3.059150443,2.048616017,1.145707649,0.340206909,0.735337115,0.420093367,0.273062229,0.168146609,0.109255373,0.068287201,0.05207762,0.034020691,7.14626437,4.2876937,4.49042209,3.744517166,2.541240381,1.579654691,0.844655444,0.240562612,0.714626437,0.389790336,0.249467894,0.149780687,0.090758585,0.052655156,0.038393429,0.024056261,14.33462243,25.10269483,23.80392157,24.08,16.38843593,197.7114299,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,2.92489,43.482,47.52016661,65.02412399,95.04033322,9.504033322,47.52016661,0.004736954,4.74E-04,-5.352360875,61.98482058,6.198482058,4.126889526,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,6,3,0,1,0,0,0,0,0,0,0,0,3,0,2,0,1,0,2,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.080439815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252916667,0,0,1.518611111,0.870833333,0,0.252916667,0,0,0,0,0,0,0,0,7.131412037,0,2.810185185,0,2.434606481,0,1.923564815,0,0,1.645833333,0,0,0.637731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.645833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252916667,0,0,0.225625,0.290277778,0,0.252916667,0,0,0,0,0,0,0,0,2.293449074,0,1.342592593,0,2.434606481,0,0.922453704,0,0,1.645833333,0,0,0.637731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.434606481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252916667,0,0,0.290277778,0.290277778,0,0.252916667,0,0,0,0,0,0,0,0,2.418981481,0,1.467592593,0,2.434606481,0,1.001111111,0,0,1.645833333,0,0,0.637731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.58333333,1.658333333,0.290277778,2.434606481,-0.005208333,0.637731481,5.858665833,0.612268519,0.434606481,3.132037037,0.612268519,0.434606481,3.132037037,5,0.5,0,0,0.45385,0.7,0.44286,0.44286,0.7,0.01099,0.01099,0,0,0.71429,0,0,0.3,0.3,0.1,6.5,0.65,5.5,0.55,1,0.1,-4.5,-0.45,0,0,10.96164,1.09616,12.14436,1.18272,0.11827,4.08466,0.40847,4.62101,0.53635,0.05364,0.29299,0.0293,0.37899,0.0379,0.269230769,31,0,0,0,0,0,0,0.8,0.961236605,2.369541298,3.690260391,3.690260391,3.690260391,3.613337314,24.99215172,61.60807374,95.94677017,95.94677017,95.94677017,93.94677017,0.204499294,0.50411056,0.785088335,0.785088335,0.785088335,0.768723254,3.739203113,2.330898421,1.010179327,1.010179327,1.010179327,1.087102404,0.199951246,0.49289918,0.767628031,0.767628031,0.767628031,0.751626908,6.796774065,21.41486027,22.74591403,22.74591403,22.74591403,21.82283711,38.70844392,19.14156354,17.78203736,17.78203736,17.78203736,19.02839415,6.694214876,1.777777778,0.7168,0,2,0,2.56,1.2574,0.944940787,2.94389819,4.112265279,2.080083823,1.650963624,5.853800636,1.310370697,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0.003,0.162,0.163,0.346,0.549,4.525,18,25,28,30,22,10,2,0,0,156,2.564949357,3.091042453,3.433987204,3.663561646,3.891820298,3.663561646,3.044522438,1.609437912,0,0,5.402677382,1.416666667,0.25,1,0,1,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,3,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.272727273,0,3,4,0.333333333,3.5,2.222222222,1.75,0.444444444,0,0,0,0,0,0,0.318181818,0.138888889,0.134615385,0.088888889,0,0,0,0,0,0,0.680574981,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,0,154.1669289,4.321928095,4.077537444,4.976733742,5.92157842,6.844815479,7.791109511,8.718500048,9.665293813,10.593555,11.5405309,91.12965436,3.135494216,0,4.634728988,0,6.385194399,0,8.219056661,0,10.08008442,10.25058175,136.1252005,5.235584635,19.92298566,1.992298566,0,0,0,102,13,4.177,58,1.273091135,2.199900578,3.052208135,3.70055507,4.424265193,5.044821881,0,0,0,0,96.55520465,122.6260429,114.0626222,60.57811174,23.26957246,5.1258619,0,0,0,0,335.6550961,454.3778494,512.4643935,382.8536487,279.125411,156.8119541,0,0,0,0,9.321036528,15.82470435,21.85849518,25.89463366,30.39995464,33.8934542,0,0,0,0,2.446278316,3.462407969,4.212504685,3.601557872,3.099413306,2.242992911,0,0,0,0,178.7739743,329.1639358,461.1715922,603.7671658,764.3038409,932.8766172,0,0,0,0,2.634374185,3.8987795,5.466656125,5.695355606,5.971311504,5.044821881,0,0,0,0,0.50355043,0.71950794,0.88643297,0.776170561,0.685965977,0.516589761,0,0,0,0,324.1764953,150.2662412,9.690821507,58.2429025,-26.99746022,-2.995276581,265.9335928,177.2637015,12.68609809,0.84769888,0.392935719,0.025340821,0.15230112,-0.070596472,-0.007832439,123.9713801,57.46472549,3.705958125,22.2732157,-10.32435248,-1.145451866,0.123339056,0.182220902,3.470667977,1.031508294,382.4193978,0,1,0,701.5830335,26.48741274,8.885728225,856.7879231,29.27093991,9.497831169,1326.574307,36.42216779,10.98779447,1.267190306,1.267190306,432.9616768,399.8347712,251.1185599,1.082851487,1.724132525,1.592215133,4.028890249,3.535499414,6.547554941,0.851946267,4.544113569,9.256989889,4.150684392,22.51325582,9.180196577,17.77165723,14.29998748,18.66298116,6.983673795,3.323965172,1.984403618,0.904838315,1.29E-09,4.01E-40,2.41E-92,2.79E-166,6.23E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,0.381398455,9.195245642,0.825316628,11.290933,0.953691985,1.763960646,1.237142698,0.884603224,1.050419802,0.121245927,0.021537255,0.00637285,9.07E-12,2.82E-42,1.69E-94,1.96E-168,4.38E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,1.231097356,9.199372115,1.295757657,13.02868104,2.141715074,4.33159559,3.057584704,3.199711371,1.521335225,0.495317192,0.165069511,0.066410013,9.45E-11,2.94E-41,1.77E-93,2.05E-167,4.57E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,4.289275132,9.250211124,3.873404881,21.63061174,8.502811981,16.54408414,13.20101576,17.1098093,6.358590168,3.028958301,1.773274052,0.806194648,1.15E-09,3.57E-40,2.14E-92,2.48E-166,5.55E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,1.814389013,9.20472176,1.68056037,14.38577803,3.103097748,6.302004512,4.558445029,5.179066179,2.064381102,0.835145798,0.339947307,0.144251422,2.05E-10,6.39E-41,3.84E-93,4.44E-167,9.92E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,5.487665595,9.285493547,5.261009704,26.00340308,11.88554267,22.59793149,18.70878795,24.94141418,9.595392742,4.528580287,2.869404497,1.319621644,1.88E-09,5.85E-40,3.51E-92,4.06E-166,9.08E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,2.966696164,7.789068193,2.104020939,16.67451909,4.711784062,9.202364782,7.693135406,8.876555211,3.804278059,1.671424186,0.75734484,0.329023806,4.68E-10,1.46E-40,8.75E-93,1.01E-166,2.26E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,3.083169168,1.688542023,1.41593876,0.498277891,0.272889067,0.447060015,0.45825404,0.389563688,6.187649951,11.96251153,25.52162462,0.247416837,1.294877743,2.138716653,1.049895441,0.803556927,0.535727982,0.262988725,0.215934426,0.182171576,0.131772549,3.99216902,4.807660198,10.60415913,0.303591973,0.52987855,2.48816936,1.285993945,1.030845824,0.517828227,0.267636109,0.291730302,0.270158391,0.212620762,4.805009129,7.090351214,15.19383064,0.276742341,0.774509455,3.057022051,1.67083561,1.39906042,0.498949392,0.272704088,0.43953796,0.448968692,0.380775664,6.12691808,11.72233982,24.99535256,0.248424088,1.269282316,2.654299481,1.398312885,1.13859245,0.511307023,0.269361918,0.331766683,0.317812032,0.257129592,5.191204816,8.325815009,17.74295257,0.266960535,0.906708308,3.166054762,1.744681202,1.469417933,0.496234858,0.273454407,0.471327919,0.488312809,0.418028676,6.380153897,12.73967972,27.23654007,0.244352287,1.377669404,3.073232441,1.672766069,1.401899297,0.499883462,0.272087488,0.444297978,0.449952067,0.382322269,6.147897807,11.79421092,25.14899116,0.249825193,1.276572314 +UMLS0018,L,"2, 6, 6- trimethyl- , (1R, 5R) -bicyclo[3.1.1] hept- 2- ene",CC1=CC[C@@H]2C[C@H]1C2(C)C,6654,Opting for Sandia/Co-optima NREL-measured values,"Sandia, UML",[1],C10H16,UML,stereochemistry,22.7,0,1.8012,3.24432144,43.5888,21.174344,6,6,17,9,8,0,9,0,0,0,0,0,0,0,0,0,1306.505601,1539.497914,2070.163045,1558.722321,802.096516,118.108368,5.08032,0,0,4060.322071,5153.061948,7372.589329,6407.623526,3976.912913,1312.383247,155.4187222,0,0,121.612356,132.346216,218.627284,257.6457,205.308688,124.524864,33.59232,0,0,28.65700324,36.79735448,54.51702186,51.15220794,34.31168791,14.02341493,2.223064524,0,0,2620.490421,2492.923943,4283.205045,5466.228619,4557.806847,3042.361798,924.5882601,0,0,39.80555556,49.27777778,74.66666667,76.66666667,56.33333333,26.5,5,0,0,76.85327065,85.52766189,69.00543483,43.29784225,27.65850055,6.561576,1.016064,0,0,238.8424748,286.2812194,245.7529776,177.9895424,137.134928,72.9101804,31.08374443,0,0,7.153668,7.352567556,7.287576133,7.156825,7.079609931,6.918048,6.718464,0,0,1.685706073,2.044297471,1.817234062,1.420894665,1.183161652,0.779078607,0.444612905,0,0,154.1464954,138.4957746,142.7735015,151.8396839,157.1657534,169.0200999,184.917652,0,0,2.341503268,2.737654321,2.488888889,2.12962963,1.942528736,1.472222222,1,0,0,0.050368443,-0.001738403,-0.018052148,-0.002615117,-0.016550853,-0.00156578,0.01533808,0,0,512.7501558,26.81046566,-100.1203327,-188.5110867,-198.1460978,33.9319956,169.659978,0,0,953.4808099,49.85520574,-186.178034,-350.5444154,-368.46113,63.09799477,315.4899739,0,0,0.100444235,0.005251986,-0.019612886,-0.036928028,-0.03881546,0.006647045,0.033235225,0,0,4.262502853,0.222875966,-0.832302436,-1.567096637,-1.647192688,0.282077395,1.410386974,0,0,23.15398315,1.210665786,-4.521080043,-8.512493806,-8.947576822,1.532248885,7.661244425,0,0,3.529411765,0.040753556,-1.06497501,-0.382545175,-1.324682814,-0.094867359,1.061610919,0,0,0.00296285,-9.66E-05,-6.02E-04,-7.26E-05,-5.71E-04,-8.70E-05,0.003067616,0,0,30.16177387,1.489470314,-3.337344423,-5.236419074,-6.832624061,1.885110867,33.9319956,0,0,56.08710646,2.769733652,-6.205934465,-9.737344872,-12.70555621,3.505444154,63.09799477,0,0,0.005908484,2.92E-04,-6.54E-04,-0.001025779,-0.001338464,3.69E-04,0.006647045,0,0,0.250735462,0.012381998,-0.027743415,-0.043530462,-0.056799748,0.015670966,0.282077395,0,0,1.361999009,0.06725921,-0.150702668,-0.236458161,-0.308537132,0.085124938,1.532248885,0,0,0.207612457,0.002264086,-0.035499167,-0.010626255,-0.045678718,-0.005270409,0.212322184,0,0,-0.032596303,-0.203094438,-0.024517665,-0.19262506,-0.029359495,1.035360031,0,0,0.049382716,-0.110648148,-0.173611111,-0.226532567,0.0625,1.125,0,0,0.049382716,-0.110648148,-0.173611111,-0.226532567,0.0625,1.125,0,0,0.049382716,-0.110648148,-0.173611111,-0.226532567,0.0625,1.125,0,0,0.049382716,-0.110648148,-0.173611111,-0.226532567,0.0625,1.125,0,0,0.049382716,-0.110648148,-0.173611111,-0.226532567,0.0625,1.125,0,0,0.01090535,-0.170987654,-0.051183128,-0.220019157,-0.025385802,1.022685185,0,0,0.922345645,1.065178335,0.905478443,1.203963192,1.094809911,0.044738688,0,0,0.839506173,1.007407407,1.101851852,1.172413793,0.944444444,0,0,0,0.839506173,1.007407407,1.101851852,1.172413793,0.944444444,0,0,0,0.839506173,1.007407407,1.101851852,1.172413793,0.944444444,0,0,0,0.839506173,1.007407407,1.101851852,1.172413793,0.944444444,0,0,0,0.839506173,1.007407407,1.101851852,1.172413793,0.944444444,0,0,0,0.895473251,1.040987654,0.958436214,1.222349936,1.038888889,0,0,0,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,30.317021,14.66707332,21.92343639,30.28286463,3.364762736,14.66707563,-0.102469136,0.144770163,0.016085574,-1.739347092,216.0523556,24.00581728,4.837968689,0,11.85,12.15009716,-0.197483701,0.10336398,6.851794432,8.733662621,10,18,14,11,3,4,1,0,0,7,8.745656,3.896642869,3.213856999,2.711209086,2.265275095,1.999283045,0.936349217,0.751386979,0.634275881,1.934663649,1.635236263,1.166563237,0.992187746,0.55514387,0.294610037,0.237639127,0.004773746,3.906018791,3.233726211,2.734050231,2.287507301,2.053559467,1.04484566,0.879623337,0.764597328,1.908081025,1.583761609,1.103231272,0.913134037,0.42960752,0.133317731,0.069566919,0.133169099,3.948865863,3.325185468,2.843673216,2.401360429,2.295920056,1.502669846,1.396578303,1.263883454,1.837512721,1.441000237,0.935421825,0.694878529,0.030291288,0.415822314,0.514960157,0.637614483,3.913004563,3.248580273,2.75136921,2.30466166,2.093975113,1.124382985,0.972041416,0.856620342,1.891888708,1.551742321,1.064476098,0.863838385,0.346984783,0.024461402,0.044590564,0.229106292,3.970886389,3.372202182,2.902425032,2.470703929,2.408863196,1.705744533,1.616773175,1.466689105,1.817471268,1.399189685,0.889108699,0.632767116,0.102491581,0.61276886,0.732013266,0.830489281,3.910423864,3.299254781,2.783105405,2.322194358,2.099619403,1.227102121,1.085719563,0.945399274,1.880422863,1.535027537,1.038359787,0.78198663,0.272552999,0.09656656,0.171181567,0.310357178,0,0,0,6,2,0,1,0,0,0,0,0.11785113,0.25,0.294627825,0,0,0.058925565,0.09581916,0.094604928,0.333333333,0,0.083333333,0,0.185395406,0,0.034020691,0,0.942809042,1.5,1.414213562,0.438965393,0.58115787,0.449778435,6.104448007,4.466326495,3.735520021,3.216326495,2.686765231,1.779039102,0.936856351,0.560395406,0.678272001,0.44663265,0.287347694,0.189195676,0.127941201,0.088951955,0.06245709,0.043107339,5.171208396,3.211160418,2.305306794,1.690268696,1.195541839,0.647631238,0.291807263,0.146769731,0.574578711,0.321116042,0.177331292,0.09942757,0.056930564,0.032381562,0.019453818,0.011289979,11.16731122,16.55134741,15.90196078,16.04,12.19421796,125.8264934,0.65690066,0.973608671,0.935409458,0.943529412,0.717306939,7.401558436,2.07319,38.118,55.16228989,65.35541437,110.3245798,12.25828664,55.16228989,5.55E-17,6.17E-18,-33.68695298,2000024.663,222224.9625,13.05780306,70,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,4,0,0,1,1,6,0,0,0,0,0,0,0,0,0,0,1,0,2,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.71212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.809722222,1.730972222,0,0,0.449583333,0.422222222,2.540694444,0,0,0,0,0,0,0,0,0,0,1.121203704,0,4.375,8.494537037,0,0,0,0,2.842592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.386574074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.3875,0.422222222,0,0,0.449583333,0.422222222,0.3875,0,0,0,0,0,0,0,0,0,0,1.121203704,0,2.175925926,2.07787037,0,0,0,0,1.386574074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.199074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.44,0,0,0.449583333,0.422222222,0.44,0,0,0,0,0,0,0,0,0,0,1.121203704,0,2.199074074,2.175925926,0,0,0,0,1.456018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.83333333,1.87037037,0.449583333,2.199074074,0.1875,1.121203704,4.873805278,0.378796296,0.199074074,1.739074074,0.378796296,0.199074074,1.739074074,4.5,0.5,0,0,0.51176,0.7,0.444,0.444,0.7,0.06776,0.06776,0,0,0.71429,0,0,0,0.22222,0,12.5,1.38889,5,0.55556,7.5,0.83333,2.5,0.27778,0,0,3.96363,0.4404,9.28813,5.3245,0.59161,1.90401,0.21156,4.46631,2.56231,0.2847,-0.05231,-0.00581,0.11969,0.0133,0.529411765,28,0,0,0,0,0,0,0.111111111,0.997502546,2.374556048,3.051601637,3.734521665,3.969815782,3.969815782,16.95754329,40.36745282,51.87722783,63.4868683,67.4868683,67.4868683,0.244039539,0.580936425,0.746575995,0.91365275,0.971217583,0.971217583,3.089960295,1.712906793,1.035861204,0.352941176,0.117647059,0.117647059,0.223683786,0.532479529,0.684302821,0.83744342,0.890206672,0.890206672,6.344815581,18.67288768,24.2756135,27.55027151,27.78740681,27.78740681,30.32476541,25.25701081,19.49398732,15.64396901,15.15280128,15.15280128,5.76,2.319526627,0.996539792,0,8,0,2.45,0.9875,0,0,0,0,9.480406828,8.052870517,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.137,0.136,0.779,1.016,4.691,13,17,21,20,15,13,11,0,0,129,2.708050201,3.238678452,3.801091445,4.342180726,4.710093106,4.627420795,4.801199445,4.906431517,0,0,6.452443198,4.908914729,0.25,2,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,3,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,4,0.333333333,1,0.888888889,0.319444444,0.097222222,0,0,0,0,0,0,0.1,0.068376068,0.035493827,0.024305556,0,0,0,0,0,0,0.228175451,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,0,118.0615681,4.169925001,3.850147602,4.672828834,5.509388337,6.34738921,7.189167738,8.030409562,8.873047799,9.715168044,10.55791989,83.74546702,3.044522438,0,4.290459441,2.397895273,5.752572639,4.59511985,7.311218384,6.580639137,8.914760527,9.22818029,116.0626003,6.82721178,18.55905426,2.06211714,0,0,0,79,9,2.923,46,1.266032656,2.24068407,3.145944771,4.196552669,5.269082866,6.298029617,0,0,0,0,117.7980375,163.4385491,145.7124652,121.5203329,35.00702698,6.399201165,0,0,0,0,384.6780348,572.0748998,588.506467,595.3132706,387.4397065,195.766343,0,0,0,0,9.339044419,16.3625057,22.58546616,29.77202508,36.46737134,42.31308526,0,0,0,0,2.708797283,4.191100429,4.648728755,5.099125382,4.131177738,2.800185243,0,0,0,0,173.4441615,317.7360472,472.525205,654.8379348,889.3380668,1164.616849,0,0,0,0,3.569549712,5.693123284,6.903241497,8.328535063,7.794921594,6.298029617,0,0,0,0,0.553903369,0.863702879,0.971889141,1.081327551,0.907445661,0.644918233,0,0,0,0,228.3880263,100.1953686,12.68954492,187.6226546,-82.31132491,-10.6417581,40.76537172,182.5066935,23.33130301,0.548995583,0.240848068,0.030502931,0.451004417,-0.197858682,-0.025580492,95.01185835,41.68234353,5.278986223,78.0530283,-34.24239033,-4.427085032,0.142127198,0.180347364,4.103108866,5.966608809,416.0106809,0,1,0,741.8708376,27.23730599,9.052657716,820.641,28.64683229,9.362339889,1220.28383,34.93256117,10.68612587,1.319167367,1.219497294,442.4080688,319.0929384,126.6448893,1.386455216,3.493295869,2.51958796,3.762660785,3.873610987,6.748577395,0.742192858,2.721209682,3.822859818,3.558054949,8.207652392,6.908287372,4.287311887,1.942166748,3.418199767,2.166748297,1.112986013,0.734252855,0.007638464,0.002443511,3.16E-25,9.77E-69,6.05E-134,7.25E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0.228422913,3.822817043,0.311298794,2.872405008,0.56381672,0.955912127,0.275845259,0.704820248,0.042001668,0.026587266,0.005209767,5.38E-05,1.72E-05,2.23E-27,6.88E-71,4.26E-136,5.11E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0.737253837,3.822820072,0.969150423,3.241493333,1.793086738,1.635920847,0.517984739,1.252544986,0.227728075,0.129855179,0.053988569,5.61E-04,1.79E-04,2.32E-26,7.17E-70,4.44E-135,5.32E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,2.568603062,3.822855182,3.357564297,7.626338118,6.496615576,4.083365629,1.805489325,3.249918658,1.948945835,1.004559895,0.65423249,0.006805734,0.002177124,2.82E-25,8.71E-69,5.39E-134,6.46E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,1.086550314,3.822823844,1.422194071,3.70862878,2.656471047,2.10272581,0.713301832,1.63036212,0.428853731,0.23592727,0.117175982,0.001217742,3.90E-04,5.04E-26,1.56E-69,9.64E-135,1.16E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,3.286243306,3.822879273,4.302341977,10.64918369,8.458941635,5.042433482,2.487582839,4.043732798,3.072780193,1.562033373,1.07071365,0.011139982,0.003563631,4.61E-25,1.43E-68,8.82E-134,1.06E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,1.47604419,3.490189992,1.96740902,4.411232111,3.558754243,2.555346474,0.94267032,2.086163511,0.717723362,0.382161119,0.210032,0.002183488,6.98E-04,9.03E-26,2.79E-69,1.73E-134,2.07E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,4.01189037,1.980175895,0.097163904,0.658850176,0.325193143,0.564901957,0.506910216,0.117660855,6.089230169,8.526461156,15.38758553,0.488275264,1.189473028,2.739523755,1.081213652,0.014334839,0.714334328,0.281927845,0.263285052,0.152397061,0.002560983,3.835072246,3.016780139,6.894312329,0.571501492,0.418243096,3.133964941,1.361477995,0.040072646,0.690983172,0.300181527,0.344473216,0.241235978,0.020013249,4.535515581,4.446968594,9.153467113,0.536474757,0.605722443,3.96624416,1.948149272,0.094200941,0.660095176,0.324227124,0.552084633,0.490843812,0.110594252,6.008594373,8.2839771,15.02044667,0.490142764,1.153522696,3.349105361,1.513678809,0.054085508,0.681145847,0.307854165,0.39340869,0.297783264,0.036457221,4.916869677,5.332475962,10.52353049,0.521718771,0.727649175,4.161844459,2.085295,0.106894106,0.65499252,0.328184448,0.608058997,0.561398877,0.14240645,6.354033565,9.346455827,16.62818843,0.482488781,1.311864324,3.970829382,1.948192822,0.094087592,0.660362028,0.323990895,0.55331789,0.491115645,0.110328261,6.013109796,8.292847845,15.03381373,0.490543043,1.154761796 +UMLS0019,L,indene,C1C=CC2=CC=CC=C21,7219,Sandia values from independent api report ,Sandia,,C9H8,PubChem,,1.6,0,2.2962,5.27253444,39.5198,20.74793,6,6,18,8,10,0,8,0,0,0,0,0,0,0,0,0,1164.273608,1275.183848,1618.236826,1423.517096,611.441042,119.210112,6.096384,0,0,3698.972658,4535.501378,6027.984113,6005.592007,4078.855785,1601.735308,186.5024666,0,0,127.508768,131.500448,215.362792,237.067424,253.887176,204.747264,40.310784,0,0,26.75732905,33.4466431,46.14629777,48.14301353,38.0868553,18.68983839,2.667677429,0,0,2863.531369,2545.580326,4521.165141,4937.803854,5714.116169,5293.168726,1109.505912,0,0,39.55555556,48.11111111,67.33333333,74.33333333,67.33333333,38,6,0,0,64.68186711,70.84354711,53.94122753,43.1368817,16.98447339,3.9736704,1.016064,0,0,205.498481,251.9722988,200.9328038,181.9876366,113.3015496,53.39117695,31.08374443,0,0,7.083820444,7.305580444,7.178759733,7.183861333,7.052421556,6.8249088,6.718464,0,0,1.48651828,1.858146839,1.538209926,1.458879198,1.057968203,0.622994613,0.444612905,0,0,159.0850761,141.4211292,150.7055047,149.6304198,158.7254491,176.4389575,184.917652,0,0,2.197530864,2.672839506,2.244444444,2.252525253,1.87037037,1.266666667,1,0,0,0.042011374,0.00113106,-0.00465623,-0.017417678,-0.026637868,0.016286619,0.010288411,0,0,538.0711511,2.98E-13,98.6463777,-286.9712806,-511.1675936,286.9712806,143.4856403,0,0,1000.566282,-7.11E-14,183.4371517,-533.6353504,-950.5379679,533.6353504,266.8176752,0,0,0.105404444,1.52E-15,0.019324148,-0.056215704,-0.100134222,0.056215704,0.028107852,0,0,4.472996822,4.16E-15,0.820049417,-2.385598305,-4.24934698,2.385598305,1.192799152,0,0,24.29738973,4.40E-14,4.45452145,-12.95860785,-23.08252024,12.95860785,6.479303927,0,0,3.901234568,-0.679012346,1.028806584,-1.041152263,-3.975308642,1.720164609,0.995884774,0,0,0.002333965,6.28E-05,-1.55E-04,-5.28E-04,-7.40E-04,5.43E-04,0.001714735,0,0,29.89284173,1.66E-14,3.28821259,-8.696099412,-14.19909982,9.565709353,23.91427338,0,0,55.58701566,-3.95E-15,6.114571723,-16.17076819,-26.40383244,17.78784501,44.46961253,0,0,0.005855802,8.46E-17,6.44E-04,-0.001703506,-0.002781506,0.001873857,0.004684642,0,0,0.248499823,2.31E-16,0.027334981,-0.072290858,-0.118037416,0.079519943,0.198799859,0,0,1.349854985,2.44E-15,0.148484048,-0.392685086,-0.641181118,0.431953595,1.079883988,0,0,0.216735254,-0.037722908,0.034293553,-0.031550069,-0.11042524,0.05733882,0.165980796,0,0,0.026922699,-0.06649956,-0.226142374,-0.317031624,0.232602992,0.734687544,0,0,5.55E-16,0.11,-0.290909091,-0.475,0.32,0.8,0,0,-7.10E-17,0.11,-0.290909091,-0.475,0.32,0.8,0,0,1.44E-14,0.11,-0.290909091,-0.475,0.32,0.8,0,0,9.31E-16,0.11,-0.290909091,-0.475,0.32,0.8,0,0,1.81E-15,0.11,-0.290909091,-0.475,0.32,0.8,0,0,-0.174050633,0.158227848,-0.14556962,-0.509493671,0.264556962,0.765822785,0,0,0.977767684,1.007673912,1.2804113,1.246278799,0.55488696,0.233957644,0,0,1.0625,0.8925,1.275,1.38125,0.51,0,0,0,1.0625,0.8925,1.275,1.38125,0.51,0,0,0,1.0625,0.8925,1.275,1.38125,0.51,0,0,0,1.0625,0.8925,1.275,1.38125,0.51,0,0,0,1.0625,0.8925,1.275,1.38125,0.51,0,0,0,1.264240506,0.742405063,1.100402762,1.506329114,0.581012658,0,0,0,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,25.80371302,12.63947897,17.28024625,25.77871302,3.222339127,12.63949246,-0.05,0.170468282,0.021308535,-1.415364823,180.8229575,22.60286969,4.158014734,0,11.89,12.11011416,-0.153572681,0.066679311,6.076517438,8.135706971,8,18,15,12,2,3,0,0,0,6,10.93207,3.80402576,2.90795096,2.82224519,2.2840747,1.849087084,0.762088806,0.757343017,0.083923071,1.990836888,1.414070796,1.410684643,0.967505521,0.642456651,0.240317338,0.017405256,0.083923071,3.814961154,2.937007014,2.856180768,2.337690339,1.911715578,0.884873518,0.871721925,0.270913902,1.959441359,1.331448037,1.322266262,0.878049989,0.53889727,0.072857973,0.114294004,0.270913902,3.865369425,3.075578314,3.020159645,2.558179261,2.168564572,1.399718817,1.318436933,0.943918427,1.875952483,1.105089135,1.055275398,0.599306628,0.21632519,0.507877804,0.601574622,0.943918427,3.823131875,2.959027702,2.882037162,2.376388319,1.956880895,0.976843348,0.951179337,0.399277246,1.940303412,1.281274819,1.263652779,0.820034811,0.471833165,0.04078926,0.206484562,0.399277246,3.891532095,3.148440862,3.106818782,2.657056976,2.283298423,1.619268826,1.50782532,1.207644823,1.85220322,1.038929329,0.976578969,0.504666614,0.106344136,0.722573095,0.787776827,1.207644823,3.816796135,2.99042733,2.918477145,2.443380612,1.992665874,1.07434737,1.010212234,0.52173913,1.941170267,1.220615524,1.201263501,0.746473786,0.42637853,0.152342848,0.267686842,0.52173913,0,0,0,4,2,2,0,0,0,0,0,0,0.083333333,0.166666667,0,0,0,0.027777778,0.055555556,0.471404521,0,0.166666667,0,0.288675135,0,0.083333333,0,1.138071187,1.040440115,1.138071187,0.622008468,0.455341801,0.414672312,5.983127663,3.804530453,3.239024819,2.540336414,1.501661279,1.024377395,0.333333333,0.083333333,0.747890958,0.475566307,0.323902482,0.230939674,0.150166128,0.102437739,0.083333333,0.083333333,5.309401077,2.827350269,2.084258917,1.425569669,0.662677957,0.374002823,0.111111111,0.027777778,0.663675135,0.353418784,0.208425892,0.129597243,0.066267796,0.037400282,0.027777778,0.027777778,10.70913902,17.43918427,16.62745098,16.8,11.99277246,135.3693593,0.594952168,0.96884357,0.923747277,0.933333333,0.666265136,7.52051996,1.74264,33.722,31.15378298,42.72358734,62.30756596,7.788445745,31.15378298,3.33E-16,4.16E-17,-28.51055062,41.24325189,5.155406487,2.975590007,54,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,4,0,0,0,0,0,0,0,0,2,0,0,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.09259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.661944444,0,0,0,0,1.661944444,0,0,0,0,0,0,0,0,4.240740741,0,0,0,0,8.356481481,0,0,0,0,2.736111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.368055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0,0.406597222,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,2.05787037,0,0,0,0,1.368055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.424375,0,0,0,0,0.424375,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,2.12037037,0,0,0,0,1.368055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.33333333,1.916666667,0.424375,2.12037037,0.159722222,1.368055556,4.877810185,0.298611111,0.12037037,1.194444444,0.298611111,0.12037037,1.194444444,4,0.5,0,0,0.47778,0.7,0.43333,0.43333,0.7,0.04444,0.04444,0,0,0.71429,0,0,0.25,0.25,0,10,1.25,4,0.5,6,0.75,2,0.25,0,0,4.20915,0.52614,8.47399,4.26484,0.53311,1.70742,0.21343,3.80452,2.0971,0.26214,0.10948,0.01369,0.19548,0.02444,0.333333333,8,0,0,0,0,0,0,0.25,0.99107606,2.197159723,2.419381946,2.641604168,2.641604168,2.641604168,17.83936908,39.54887502,43.54887502,47.54887502,47.54887502,47.54887502,0.237672394,0.526906293,0.580197952,0.633489611,0.633489611,0.633489611,3.178848942,1.972765278,1.750543056,1.528320834,1.528320834,1.528320834,0.225638533,0.500227901,0.550821289,0.601414678,0.601414678,0.601414678,6.714395846,15.2580338,17.92470047,18.14866158,18.14866158,18.14866158,29.66949396,25.1248139,22.0050139,21.48504723,21.48504723,21.48504723,6.125,2.52,1.487603306,0,6,0,2.34,0.9982,0.333333333,2.746356192,2.828427125,0,3.965406457,4.298279727,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,3.896,10,11,10,10,4,1,0,0,0,62,2.48490665,3.020424886,3.457892725,3.803880847,4.201890189,3.446011397,2.151035195,0,0,0,5.384064924,3.498487903,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,1.5,1.111111111,0.375,0.222222222,0,0,0,0,0,0,0.1875,0.111111111,0.046875,0.111111111,0,0,0,0,0,0,0.456597222,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,0,115.7585009,4,3.610917913,4.369447852,5.153291594,5.932245187,6.717804695,7.501634458,8.287276756,9.072341874,9.857914707,76.50287504,2.833213344,0,4.043051268,0,5.476463552,0,7.00033446,0,8.555836815,8.796490207,106.0782503,5.893236129,15.53340973,1.941676217,0,0,0,60,8,2.866,36,1.231350208,2.153884046,3.046647115,3.822580672,4.468708192,5.750098393,0,0,0,0,96.27497539,127.0224938,137.5267254,68.86344329,18.82367219,5.842467974,0,0,0,0,331.391896,461.8651935,571.838864,448.4080984,246.6335433,178.7345889,0,0,0,0,9.024660361,15.52054232,21.92590697,27.00948005,30.53690935,38.63182905,0,0,0,0,2.402651941,3.484881805,4.550666162,4.149925192,2.848304721,2.55656795,0,0,0,0,172.3376467,320.5194899,453.0536842,602.8301581,785.3968383,1063.294694,0,0,0,0,3.392950518,5.025400425,7.009036361,7.297529309,5.756522435,5.750098393,0,0,0,0,0.494081992,0.722836451,0.952155061,0.890312262,0.634798959,0.588810075,0,0,0,0,233.8521723,96.85195566,9.952212092,103.1515768,-42.72114236,-5.322744102,130.7005955,139.573098,15.27495619,0.69391564,0.28739133,0.029531458,0.30608436,-0.126767558,-0.015794317,78.80905877,32.63947216,3.353932786,34.7624681,-14.39718514,-1.793784718,0.149769187,0.148478697,3.866505788,2.568200138,337.003749,0,1,0,604.8962865,24.59463938,8.457207237,702.6158965,26.50690281,8.890086578,994.7851316,31.54021451,9.982586801,1.272637786,1.208406765,365.9172357,225.2800829,147.3796166,1.624276905,2.482821194,1.528570151,3.690318969,3.785524729,5.780049759,0.52688205,3.1157585,2.872001084,5.182997632,7.584438973,0.23099269,4.432855542,4.835012059,5.207544078,0.321704875,1.319846809,0.017083217,3.52E-23,2.37E-65,3.37E-129,9.38E-215,5.04E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.261593628,2.871879065,0.268061334,3.709885671,0.039745246,0.306369819,0.448259713,0.34234365,0.002314075,0.012800904,1.20E-04,2.48E-25,1.67E-67,2.37E-131,6.61E-217,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844189527,2.871887516,0.974676375,4.179904137,0.072969214,0.853966727,1.340751044,1.166907941,0.023735362,0.105874606,0.001253811,2.58E-24,1.74E-66,2.47E-130,6.88E-216,3.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.941028572,2.871987793,4.777171508,7.233731792,0.217227959,4.075977539,4.565418734,4.850080781,0.286666497,1.178373224,0.015220839,3.13E-23,2.11E-65,3.00E-129,8.36E-215,4.5E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.244123348,2.871898203,1.547820513,4.597827192,0.097502638,1.317379387,1.954290819,1.782984584,0.051437568,0.221348512,0.002723446,5.61E-24,3.78E-66,5.37E-130,1.50E-215,7.9E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.762704777,2.872056906,6.804737465,9.011831666,0.284292518,5.872590722,5.834375055,6.59876291,0.469018846,1.913439817,0.024914267,5.13E-23,3.45E-65,4.91E-129,1.37E-214,7.36E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.696340176,2.687981827,2.093977049,5.021848526,0.11495975,1.849305557,2.648011178,2.498820822,0.087742789,0.371688456,0.004650252,9.57E-24,6.45E-66,9.17E-130,2.55E-215,1.4E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.189333731,2.312523021,0.185824622,0.560744093,0.406584488,0.567887108,0.576490819,0.222242366,5.687681374,8.397788127,15.45600184,0.450992871,1.366620294,2.174190113,1.357503556,0.03175933,0.610135763,0.380951722,0.263924691,0.19870254,0.006491786,3.563452998,3.063635033,6.720824766,0.486631227,0.469119017,2.522466012,1.685168187,0.084617385,0.587678975,0.39260704,0.355244006,0.30618113,0.046082949,4.292251584,4.606818479,9.258759906,0.470429022,0.707508085,3.157833141,2.282890186,0.181044034,0.561715371,0.406080515,0.556725378,0.561815958,0.210954504,5.621767362,8.193996788,15.12090811,0.45169383,1.32949584,2.69868287,1.850949731,0.111361406,0.578992993,0.397114806,0.406607845,0.369372019,0.079816056,4.660994007,5.501779818,10.71903812,0.464161698,0.85579592,3.290645691,2.407827094,0.201199847,0.557767506,0.408128933,0.60453645,0.624969086,0.260540678,5.899672633,9.069837708,16.56367827,0.448844658,1.490046215,3.160475876,2.282685646,0.180717711,0.56197435,0.405891654,0.557657991,0.561717816,0.210194723,5.623879233,8.198048609,15.1256928,0.451799006,1.329570529 +UMLS0020,L,O-Xylene,CC1=CC=CC=C1C,7237,,"Sandia, UML",[9],C8H10,PubChem,,20,0,2.7426,7.52185476,43.8018,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1921.920348,1782.655738,965.585044,360.330937,84.835296,9.144576,0,4184.657049,5188.491512,7083.005766,7478.87802,5654.991392,2943.145141,1061.424631,279.7536999,0,148.486212,153.276228,257.716848,281.41732,338.148688,269.228836,123.32736,60.466176,0,30.43545486,38.46263172,54.17148079,59.51285358,51.45544137,30.38709287,12.01662072,4.001516144,0,3360.161029,2978.619777,5482.629357,5740.292549,7657.90588,6644.943464,3137.747111,1664.258868,0,44.33333333,54.11111111,77.44444444,90.44444444,87.33333333,56,24,9,0,62.40808843,68.74581643,53.38667633,45.70912149,20.11635508,9.239254795,4.713072,1.016064,0,199.2693833,247.0710244,196.7501602,191.7661031,117.8123207,75.46526003,58.96803508,31.08374443,0,7.070772,7.298868,7.158801333,7.215828718,7.044764333,6.903303487,6.85152,6.718464,0,1.449307374,1.831553891,1.504763355,1.525970605,1.071988362,0.779156227,0.66759004,0.444612905,0,160.0076681,141.839037,152.2952599,147.1869884,159.5397058,170.3831657,174.3192839,184.917652,0,2.111111111,2.576719577,2.151234568,2.319088319,1.819444444,1.435897436,1.333333333,1,0,0.040146768,0.001937395,0.00499964,-0.029010089,-0.021443503,0.0110004,0.005508478,0.006934296,0,622.6251891,3.91E-13,229.7783436,-412.6127246,-471.9103616,54.35616731,88.94645559,200.1295251,0,1157.798126,-1.14E-13,427.2826418,-767.2709805,-877.5374687,101.0776142,165.3997323,372.1493977,0,0.121968,1.86E-15,0.045012,-0.080828,-0.092444,0.010648,0.017424,0.039204,0,5.175896322,9.60E-15,1.910152214,-3.430058277,-3.923000784,0.451863965,0.73941376,1.663680961,0,28.11555097,4.22E-14,10.37597714,-18.632131,-21.30980252,2.454532227,4.016507281,9.037141383,0,4.285714286,-1.126984127,2.47845805,-2.276643991,-3.414965986,0.56462585,0.326530612,1.306122449,0,0.001911751,9.23E-05,1.39E-04,-7.44E-04,-4.47E-04,2.82E-04,3.06E-04,7.70E-04,0,29.64881853,1.86E-14,6.382731767,-10.57981345,-9.831465867,1.39374788,4.941469755,22.2366139,0,55.13324411,-5.41E-15,11.86896227,-19.67361488,-18.2820306,2.591733697,9.188874018,41.34993308,0,0.005808,8.88E-17,0.001250333,-0.002072513,-0.001925917,2.73E-04,9.68E-04,0.004356,0,0.246471253,4.57E-16,0.053059784,-0.087950212,-0.081729183,0.011586256,0.041078542,0.18485344,0,1.33883576,2.01E-15,0.288221587,-0.477746949,-0.443954219,0.062936724,0.223139293,1.00412682,0,0.204081633,-0.053665911,0.068846057,-0.058375487,-0.071145125,0.014477586,0.01814059,0.145124717,0,0.0482578,0.072644874,-0.389092774,-0.233680895,0.14754095,0.160076587,0.403021805,0,6.28E-16,0.215277778,-0.356837607,-0.331597222,0.047008547,0.166666667,0.75,0,-9.82E-17,0.215277778,-0.356837607,-0.331597222,0.047008547,0.166666667,0.75,0,1.53E-14,0.215277778,-0.356837607,-0.331597222,0.047008547,0.166666667,0.75,0,1.86E-15,0.215277778,-0.356837607,-0.331597222,0.047008547,0.166666667,0.75,0,1.50E-15,0.215277778,-0.356837607,-0.331597222,0.047008547,0.166666667,0.75,0,-0.262962963,0.337345679,-0.286039886,-0.348611111,0.070940171,0.088888889,0.711111111,0,0.99910729,0.914416065,1.535210358,1.278402195,0.697669819,0.425229786,1.66E-08,0,1.111111111,0.810185185,1.396011396,1.255787037,0.797720798,0.648148148,0,0,1.111111111,0.810185185,1.396011396,1.255787037,0.797720798,0.648148148,0,0,1.111111111,0.810185185,1.396011396,1.255787037,0.797720798,0.648148148,0,0,1.111111111,0.810185185,1.396011396,1.255787037,0.797720798,0.648148148,0,0,1.111111111,0.810185185,1.396011396,1.255787037,0.797720798,0.648148148,0,0,1.419753086,0.547325103,1.362773029,1.328703704,0.757834758,0.777777778,0,0,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,1.24E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,1.24E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,1.24E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,1.24E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,1.24E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,1.24E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,32.38658668,16.15996001,22.53098671,32.33569689,3.59285521,16.15996041,-0.066666667,0.027970247,0.003107805,-3.218952539,47.3101853,5.256687255,3.471053046,0,11.85,12.15009716,-0.20845674,0.091650207,6.003955088,8.444013817,9,21,18,15,3,3,0,0,0,6,13.118484,3.833589318,3.056199074,2.831353951,2.417531953,2.136657421,1.730798785,0.76152284,0.330767393,2.008386927,1.532771074,1.41393354,1.195172722,0.897448804,0.526978276,0.020190969,0.083923071,3.843579971,3.083097614,2.86448923,2.476130793,2.198065434,1.792413519,0.873268248,0.456529511,1.978376491,1.455937329,1.322713195,1.094263321,0.801768394,0.417858969,0.10882679,0.270913902,3.889998998,3.21242987,3.024775228,2.724355126,2.448862671,2.044692629,1.326296579,0.95686777,1.89982516,1.240191848,1.059204514,0.771773068,0.495133778,0.091785634,0.593145692,0.943918427,3.851062547,3.103536082,2.889733747,2.518859121,2.242317085,1.83679047,0.954147239,0.547444914,1.960207534,1.407658425,1.264613753,1.027756549,0.739035505,0.348439505,0.199483539,0.399277246,3.914343526,3.281118172,3.109835287,2.838709742,2.559713213,2.158140105,1.516634173,1.207644823,1.877814409,1.17806021,0.982111373,0.663101833,0.388360527,0.016486101,0.780989778,1.159347194,3.838427226,3.11384971,2.939269672,2.601631839,2.318332939,1.869086755,1.026739527,0.613605714,1.964267489,1.365753417,1.19039519,0.933165298,0.658300466,0.301207513,0.268616579,0.529411765,0,0,0,3,3,3,0,0,0,0,0,0,0.068041382,0.204124145,0,0,0,0.024056261,0.072168784,0.760079655,0,0.166666667,0,0.455341801,0,0.083333333,0,1.478278096,1.558028605,2.075933094,0.790402296,0.711787657,0.838514819,6.853371151,4.198377303,3.872792013,2.860366219,1.816762979,1.33160016,0.504473335,0.068041382,0.761485683,0.466486367,0.322732668,0.220028171,0.139750998,0.095114297,0.072067619,0.068041382,6.232050808,3.238033872,2.58771324,1.662410764,0.891346035,0.562731396,0.186004234,0.024056261,0.69245009,0.359781541,0.21564277,0.127877751,0.06856508,0.0401951,0.026572033,0.024056261,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,1.77066,37.362,36.24670713,48.23696276,72.49341426,8.054823807,36.24670713,0.034470015,0.003830002,-3.030898907,80.37277837,8.930308707,3.948007987,67,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.60759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.166388889,0,0,0,0,1.166388889,0,0,0,0,0,0,0,0,6.392407407,0,0,0,0,6.502314815,0,0,0,0,4.105277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.345462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.378819444,0,0,0,0,0.378819444,0,0,0,0,0,0,0,0,2.1175,0,0,0,0,2.141203704,0,0,0,0,1.345462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.203703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0,0,0,0,0.396597222,0,0,0,0,0,0,0,0,2.141203704,0,0,0,0,2.203703704,0,0,0,0,1.384259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17,1.888888889,0.396597222,2.203703704,0.144097222,1.345462963,5.526767685,0.321203704,0.203703704,1.789444444,0.321203704,0.203703704,1.789444444,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.33333,0.33333,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.74382,0.6382,10.41343,4.66961,0.51885,2.06066,0.22896,4.19836,2.1377,0.23752,0.21564,0.02396,0.30164,0.03352,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.128085279,2.390455517,2.843301946,3.236857303,3.522571589,20.68979086,44.68979086,50.19956586,59.70934087,67.97400337,73.97400337,0.224307135,0.484501705,0.544235602,0.647335261,0.736936107,0.80198475,3.407089287,2.264232144,2.001861906,1.549015477,1.155460119,0.869745834,0.214882485,0.464144533,0.521368608,0.620136358,0.70597247,0.768287982,6.75154531,15.36999611,18.51843897,22.51058634,21.86034747,22.14829748,33.82580122,27.57483228,23.40077103,18.23182491,18.95755632,18.26553782,7.111111111,2.722222222,1.704142012,0,6,0,2.45,1.1391,0.766309432,3.479380736,4.441492163,0,1.650963624,5.853800636,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.1,0.505,0.68,4.372,12,13,13,14,7,1,0,0,0,78,2.564949357,3.157000421,3.590439381,3.986666548,4.427089623,3.944006051,2.151035195,0,0,0,5.611415875,3.493990385,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,5,0.666666667,2.5,1.333333333,0.5625,0.413333333,0,0,0,0,0,0,0.277777778,0.111111111,0.05625,0.103333333,0,0,0,0,0,0,0.548472222,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,0,133.0544855,4.169925001,3.761200116,4.532599493,5.351858133,6.146329258,6.963189986,7.764296006,8.579416535,9.382695764,10.19694044,80.67852573,2.944438979,0,4.204692619,0,5.666426688,0,7.217443432,0,8.806723555,9.038602609,120.0939004,5.718757161,17.38201719,1.931335244,0,0,0,84,10,3.258,42,1.233300178,2.143608143,3.065976102,3.792069948,4.631604102,5.883400279,6.552566751,0,0,0,94.09564805,126.607284,148.7991516,84.81547788,48.19408984,28.60812362,6.657827183,0,0,0,326.4685465,454.7269372,609.1090586,476.9160855,371.8126972,353.564087,203.6783102,0,0,0,9.031490446,15.41321615,22.1571405,26.80595817,32.05154208,40.34187849,44.02318382,0,0,0,2.376896686,3.421440939,4.796870299,4.266804385,3.765674569,3.980728577,2.913355737,0,0,0,173.0750978,321.7093214,449.068676,598.0455883,783.1178895,1023.069585,1211.685258,0,0,0,3.27231619,4.830695192,7.247086387,7.148033429,6.870405352,7.923808126,6.552566751,0,0,0,0.489174207,0.70955305,1.00146107,0.911091454,0.822064925,0.883220308,0.670982835,0,0,0,286.7017456,125.0549918,10.16448182,105.4158797,-45.98082212,-5.029564369,181.2858659,171.0358139,15.19404619,0.731162608,0.318922139,0.025922022,0.268837392,-0.117262829,-0.012826673,112.4208076,49.03626639,3.985672473,41.33542441,-18.02989078,-1.972180837,0.142807103,0.134284561,2.742173126,1.461181649,392.1176253,0,1,0,669.1530565,25.8679929,8.746651482,786.0344264,28.03630551,9.22884154,1145.15277,33.84010594,10.46215482,1.505113381,1.505113381,524.3757495,373.1769387,161.3126645,1.405166545,3.250679363,2.313376571,4.066590112,4.288153178,6.664765497,0.554227478,3.591901278,3.871162657,5.313765476,9.312772647,0.353180733,5.570287741,6.982724887,7.502513732,2.03066848,4.9821562,2.215501965,2.185137681,2.73E-05,7.61E-31,4.94E-78,6.44E-147,1.67E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,0.301552992,3.870979963,0.284910775,5.68126717,0.073074894,0.364456579,0.664797188,0.501953851,0.999313971,0.154213265,0.127311145,0.015390727,1.93E-07,5.36E-33,3.48E-80,4.54E-149,1.17E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0.973183225,3.870992572,1.025197217,6.267727015,0.127630286,0.980862862,1.953304168,1.703826651,1.159402949,0.602454007,0.449552859,0.160378346,2.01E-06,5.58E-32,3.62E-79,4.73E-148,1.22E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390468513,3.871142741,4.904650973,9.035688597,0.33510592,5.093734458,6.595550809,6.993607299,1.94968836,4.496533389,2.050871762,1.946918764,2.44E-05,6.78E-31,4.40E-78,5.74E-147,1.48E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,1.434236324,3.871008556,1.618362329,6.716278967,0.165858838,1.536496874,2.838155404,2.596302586,1.284273456,1.069676486,0.701642204,0.348361663,4.36E-06,1.21E-31,7.87E-79,1.03E-147,2.65E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.337716138,3.871246314,6.943495949,10.40087272,0.42115609,7.513983717,8.416704801,9.477982019,2.350758909,6.995997296,2.866828805,3.186815911,3.99E-05,1.11E-30,7.20E-78,9.39E-147,2.43E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,2.013498659,3.61819004,2.147023201,7.480305617,0.210014946,2.256941076,3.858667627,3.652083108,1.55922037,1.712177452,1.028112882,0.612445708,7.66E-06,2.13E-31,1.38E-78,1.81E-147,4.67E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.772263901,2.162641999,0.238916037,0.665233113,0.301463016,0.576716135,0.509850776,0.285726465,7.173821937,11.97755858,21.61716086,0.49784967,1.372293375,3.073718742,1.308343756,0.042080352,0.694760284,0.29572819,0.24028369,0.188008053,0.008863758,4.42414285,4.205879457,8.799247632,0.542140426,0.437155501,3.667884933,1.607403796,0.110952113,0.680973065,0.298427761,0.341476762,0.282881992,0.061621273,5.386240842,6.481076596,12.52146582,0.521459597,0.685980027,4.721057359,2.136909651,0.232983704,0.665786232,0.301357284,0.564453132,0.497873027,0.271713329,7.090950714,11.68626759,21.12766812,0.498679348,1.334039487,3.963911904,1.756298293,0.145257555,0.67580491,0.299430219,0.398517007,0.337266739,0.105617794,5.865467752,7.792715459,14.66943896,0.513707364,0.841401541,4.936321293,2.245078083,0.257921787,0.663544588,0.301785342,0.616892616,0.549177119,0.332993654,7.439321164,12.93466611,23.23238659,0.495316881,1.499063389,4.722938311,2.138393595,0.232683581,0.665763744,0.301436274,0.564920685,0.49859592,0.27101375,7.094015488,11.69602031,21.14002387,0.498645616,1.334530356 +UMLS0021,L,"1,2,4-trimethylbenzene",CC1=CC(=C(C=C1)C)C,7247,Co-optima vals measured by NREL,Sandia,,C9H12,PubChem,,4.2,0,-0.34,0.1156,26.1559,19.895102,0,0,20,6,14,0,6,0,0,0,0,0,0,0,0,0,879.809622,890.819837,974.639069,862.717636,432.973465,103.124448,9.144576,0,0,2976.273833,3723.897138,4754.238025,4808.864311,3631.564839,1620.932031,279.7536999,0,0,139.301592,137.349428,253.958324,314.400784,311.934628,244.259712,60.466176,0,0,22.95798067,29.53412034,41.10612815,44.10122001,37.06835873,20.01965301,4.001516144,0,0,3349.613265,2777.687448,5730.516907,7389.308863,7563.67875,6466.264847,1664.258868,0,0,32.27777778,38,55.91666667,68,67,42,9,0,0,43.9904811,46.88525458,27.07330747,19.17150302,9.621632556,2.864568,1.016064,0,0,148.8136916,195.9945862,132.0621674,106.8636514,80.70144088,45.02588975,31.08374443,0,0,6.9650796,7.228917263,7.054397889,6.986684089,6.931880622,6.784992,6.718464,0,0,1.147899033,1.554427386,1.141836893,0.980027111,0.823741305,0.556101472,0.444612905,0,0,167.4806632,146.1940762,159.1810252,164.2068636,168.08175,179.618468,184.917652,0,0,1.613888889,2,1.553240741,1.511111111,1.488888889,1.166666667,1,0,0,0.028302395,-0.005876358,-0.005542894,-0.002011666,-0.013336366,0.007886446,0.00472964,0,0,508.4772378,-59.32234441,-92.01016684,-115.0127085,-260.2919194,174.335053,98.06346729,0,0,945.5351364,-110.3124326,-171.0968342,-213.8710428,-484.0239389,324.1834754,182.3532049,0,0,0.0996072,-0.01162084,-0.01802416,-0.0225302,-0.0509894,0.03415104,0.01920996,0,0,4.226981996,-0.4931479,-0.764882456,-0.956103071,-2.163812212,1.44925097,0.815203671,0,0,22.96103329,-2.678787217,-4.154853643,-5.193567054,-11.75386228,7.872354271,4.428199278,0,0,2.672222222,-1.196944444,-0.293333333,0.779166667,-1.4375,0.39,0.4225,0,0,0.00141512,-3.09E-04,-1.54E-04,-4.47E-05,-2.96E-04,2.19E-04,5.26E-04,0,0,25.42386189,-3.122228653,-2.555837968,-2.555837968,-5.784264874,4.84264036,10.89594081,0,0,47.27675682,-5.805917504,-4.752689839,-4.752689839,-10.75608753,9.005096538,20.26146721,0,0,0.00498036,-6.12E-04,-5.01E-04,-5.01E-04,-0.001133098,9.49E-04,0.00213444,0,0,0.2113491,-0.025955153,-0.021246735,-0.021246735,-0.048084716,0.040256971,0.090578186,0,0,1.148051665,-0.140988801,-0.115412601,-0.115412601,-0.26119694,0.218676508,0.492022142,0,0,0.133611111,-0.062997076,-0.008148148,0.017314815,-0.031944444,0.010833333,0.046944444,0,0,-0.218555365,-0.108802996,-0.031590041,-0.209426572,0.154805238,0.371357645,0,0,-0.122807018,-0.100529101,-0.100529101,-0.227513228,0.19047619,0.428571429,0,0,-0.122807018,-0.100529101,-0.100529101,-0.227513228,0.19047619,0.428571429,0,0,-0.122807018,-0.100529101,-0.100529101,-0.227513228,0.19047619,0.428571429,0,0,-0.122807018,-0.100529101,-0.100529101,-0.227513228,0.19047619,0.428571429,0,0,-0.122807018,-0.100529101,-0.100529101,-0.227513228,0.19047619,0.428571429,0,0,-0.471495787,-0.060984061,0.12959113,-0.239085239,0.081081081,0.351351351,0,0,1.761041552,1.160403025,1.021013286,1.182765148,0.433213113,0,0,0,1.666666667,1.256613757,1.105820106,1.105820106,0.376984127,0,0,0,1.666666667,1.256613757,1.105820106,1.105820106,0.376984127,0,0,0,1.666666667,1.256613757,1.105820106,1.105820106,0.376984127,0,0,0,1.666666667,1.256613757,1.105820106,1.105820106,0.376984127,0,0,0,1.666666667,1.256613757,1.105820106,1.105820106,0.376984127,0,0,0,2.079002079,0.905232155,0.763686764,1.382536383,0.592515593,0,0,0,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,27.13010824,13.47940597,20.52288097,27.01591071,4.502651784,13.47940898,-0.171296296,1.11E-16,1.85E-17,-22.04208034,3000004.079,500000.6798,8.948474524,0,11.89,12.11007471,-0.169151346,0.051247007,5.275584961,7.642003616,5,19,19,19,5,0,0,0,0,0,15.304898,3.486065375,2.902564078,2.602098481,1.907478409,1.598026915,0.940486379,0.083923071,0.083923071,1.905678496,1.563026335,1.389675774,0.941666099,0.769718516,0.363415993,0.083923071,0.083923071,3.514277282,2.950308951,2.661111007,1.990406516,1.695309721,1.066897176,0.270913902,0.270913902,1.844273097,1.473453684,1.286630053,0.814742336,0.630337185,0.203390889,0.270913902,0.270913902,3.638598169,3.155598408,2.911455076,2.332376476,2.090117344,1.562551549,0.943918427,0.943918427,1.663447912,1.195492746,0.959389692,0.395958779,0.162386152,0.34948882,0.943918427,0.943918427,3.535079059,2.985267979,2.704149439,2.050359443,1.765276817,1.15673493,0.399277246,0.399277246,1.805143103,1.415133181,1.218928543,0.730150495,0.536857124,0.094991748,0.399277246,0.399277246,3.699226781,3.252217518,3.027125582,2.484784209,2.26277616,1.771444199,1.207644823,1.207644823,1.607068379,1.104407163,0.849593123,0.249417906,0.004703131,0.554077929,1.207644823,1.207644823,3.51547682,3.076003138,2.8440656,2.151382767,1.849830724,1.241348526,0.580645161,0.580645161,1.810447978,1.311901715,1.069691066,0.603837508,0.42038376,0.02202542,0.580645161,0.580645161,0,0,0,0,0,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.577350269,0.288675135,0,0.577350269,0.288675135,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,9.792794627,19.21485798,18.07843137,18.32,11.58988144,154.455091,0.489639731,0.960742899,0.903921569,0.916,0.579494072,7.722754551,2.4425,29.746,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,6.738425926,0,2.659722222,0,0,0,0.935185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.230324074,0,1.329861111,0,0,0,0.935185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.277777778,0,1.329861111,0,0,0,0.935185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.33333333,1.722222222,0.2,2.277777778,0.2,0.935185185,4.590439815,0.398148148,0.277777778,1.476851852,0.398148148,0.277777778,1.476851852,3,0.5,0,0,0.42,0.7,0.42,0.42,0.7,0,0,0,0,0.71429,0,0,0.5,0.16667,0,2.5,0.41667,2.5,0.41667,0,0,-2.5,-0.41667,0,0,5.73058,0.9551,5.73058,0,0,2.80805,0.46801,2.80805,0,0,0.10595,0.01766,0.10595,0.01766,0,5,0,0,0,0,0,0,1,0.881290899,1.319035274,2.295461844,2.70869497,2.492598565,1.728212946,17.62581798,26.38070549,45.90923688,54.17389939,49.8519713,34.56425892,0.203911514,0.305196025,0.53111986,0.626733002,0.576733002,0.399870823,3.440637196,3.002892821,2.026466251,1.613233125,1.82932953,2.593715149,0.207463733,0.310512661,0.540372178,0.637650939,0.58677992,0.406836732,6.616095946,11.86902845,14.36720586,14.78367255,12.19051569,5.393257752,23.80204551,17.71551634,17.30503569,16.99759575,15.70101732,10.20202878,6,3.2,3,6,0,5,2.12,0.954,0.908560296,3.301927249,1.889881575,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,2.54,5,4,1,0,0,0,0,0,0,21,1.791759469,1.791759469,1.609437912,0.693147181,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,0,112.3323665,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,86.10955045,4.305477522,10.6758508,1.779308466,0,0,0,31,4,3.693,20,1.220894737,2.103173734,2.865487861,3.505459879,4.175001234,5.71185753,0,0,0,0,67.74862772,64.92246437,61.68420186,39.37951263,14.13966644,5.803612809,0,0,0,0,263.8372191,301.2768942,325.9848541,303.0664721,204.4262542,177.5459197,0,0,0,0,8.859366903,14.89288075,20.06705195,24.36139425,28.40581187,38.37490919,0,0,0,0,2.030985313,2.547295132,2.930414499,3.022981823,2.453211893,2.539565568,0,0,0,0,176.3944505,330.6965185,467.1383628,584.5081841,743.6575655,1056.223283,0,0,0,0,2.499333333,3.376314166,4.439815548,5.353172263,5.067398364,5.71185753,0,0,0,0,0.422269342,0.539354181,0.627509756,0.657744497,0.550313972,0.584894211,0,0,0,0,348.2452839,119.178022,8.411708706,145.4814617,-49.7873012,-8.519307768,202.7638222,168.9653232,16.93101647,0.705340124,0.241384578,0.017037174,0.294659876,-0.10083979,-0.017255107,171.9380106,58.84137694,4.153085563,71.82808859,-24.58132219,-4.206210098,0.086550298,0.18974905,1.614066694,11.06347011,493.7267455,0,1,0,310.4078457,17.6183951,6.770866172,446.0263509,21.11933595,7.640471717,486.0997239,22.04766935,7.862761904,1.600376192,1.20582466,297.9980032,257.2067684,72.90961007,1.158593163,4.087225305,3.527748511,3.598661447,3.220194404,6.42424645,0.994987148,3.904607748,4.742643365,2.180766641,19.83544936,6.276698098,5.017174461,5.31761643,8.391284527,2.81392746,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,4.742376508,0.139452035,5.476519534,1.035145025,0.16594251,0.46275533,0.333437286,0.949016922,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,4.742394891,0.478874121,7.179925155,1.393915343,0.703734255,1.284689051,1.32069706,1.0750388,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,4.742614261,2.028469008,18.52213658,5.704235347,4.56012436,4.960602108,7.665380581,2.609673611,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,4.742418226,0.734814978,8.713747116,1.851352821,1.207252641,1.899114317,2.193650838,1.237158573,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,4.742765618,2.77568718,25.19113572,8.681918633,6.891162689,6.707381819,11.34308938,3.672472691,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.382118359,4.050602643,1.030788426,11.15558879,3.130429896,2.263552644,3.019410176,3.4308531,1.898104156,1.609735553,0.054807146,0.379869114,2.71E-15,3.72E-51,9.85E-109,5.04E-188,4.96E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.530987441,1.130475171,0.585893788,0.672907874,0.215437086,0.502955739,0.441794109,0.476528345,5.247356401,6.722815623,14.30888053,0.509361811,1.421278192,2.800335673,0.662709071,0.186421833,0.767327393,0.181590667,0.316342548,0.151864066,0.048341475,3.649466577,2.501395002,6.496824681,0.650991089,0.516548089,3.104930242,0.85771042,0.35295523,0.719467327,0.198746695,0.388902842,0.254354483,0.173130621,4.315595892,4.06176577,9.317327685,0.579200991,0.816387946,3.514285046,1.119782124,0.576762135,0.674419529,0.214895184,0.498208796,0.433478008,0.461808737,5.210829306,6.607988051,14.08851108,0.511629294,1.393495541,3.234374,0.940580857,0.423726457,0.703326406,0.204532733,0.422005291,0.305865677,0.24943162,4.598681315,4.811229101,10.69896692,0.554989609,0.977302588,3.582861247,1.16368535,0.61425458,0.668344363,0.217073029,0.517842155,0.468125647,0.523712993,5.360801177,7.084911129,15.00673814,0.502516544,1.509680795,3.525773615,1.121449447,0.57737462,0.674841171,0.214648001,0.501471515,0.434727232,0.46240831,5.224597682,6.63716552,14.14468909,0.512261756,1.398607057 +UMLS0022,L,3-Methylpentane,CCC(C)CC,7282,,"Sandia, UML",[1],C6H14,PubChem,,0.2,0,-0.0916,0.00839056,26.2418,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,890.291353,994.748085,870.627836,366.161209,84.835296,9.144576,0,0,2644.81273,3144.163273,3730.992294,3300.918427,2187.299827,1061.424631,279.7536999,0,0,118.238936,111.372268,196.083876,224.83136,162.4177,123.32736,60.466176,0,0,19.03383305,23.6303831,30.19190358,26.8663499,18.91140264,12.01662072,4.001516144,0,0,2668.599586,2191.74623,4310.126609,5051.249777,3508.796101,3137.747111,1664.258868,0,0,74.27777778,40.66666667,61.58333333,90,67,24,9,0,0,61.71557788,59.35275687,36.84252167,29.02092787,17.43624805,4.713072,1.016064,0,0,165.3007956,209.6108849,138.1848998,110.0306142,104.1571346,58.96803508,31.08374443,0,0,7.3899335,7.424817867,7.262365778,7.494378667,7.73417619,6.85152,6.718464,0,0,1.189614566,1.575358873,1.118218651,0.895544997,0.900542983,0.66759004,0.444612905,0,0,166.7874742,146.1164153,159.6343189,168.3749926,167.0855286,174.3192839,184.917652,0,0,4.642361111,2.711111111,2.280864198,3,3.19047619,1.333333333,1,0,0,0.121814595,-0.04685184,-0.00114821,0.022286212,-0.041555333,0.00141182,0.004950053,0,0,523.7576238,-43.92541314,19.66342755,-17.48234203,-448.16645,55.73680828,172.2951575,0,0,766.4429154,-94.95499335,-135.8422519,3.347559966,-429.21663,24.45906343,248.9857942,0,0,1.03666,-0.00156025,0.12109675,-0.2438865,-0.64215875,0.1301865,0.11799225,0,0,3.391946473,-0.464107523,-1.103534916,-0.035208955,-0.953855384,-0.072147893,0.932881435,0,0,18.82152525,-2.587911668,-6.817934048,-0.398101339,-3.739946444,-0.655669353,4.788800225,0,0,33.10416667,-0.94140625,1.126302083,-4.4453125,-18.52213542,2.9453125,3.28515625,0,0,0.007613412,-0.003123456,-4.25E-05,7.43E-04,-0.001978825,7.84E-05,5.50E-04,0,0,32.73485148,-2.928360876,0.728275094,-0.582744734,-21.34125953,3.096489349,19.14390639,0,0,47.90268221,-6.33033289,-5.031194516,0.111585332,-20.43888714,1.358836857,27.66508825,0,0,0.06479125,-1.04E-04,0.004485065,-0.00812955,-0.030578988,0.007232583,0.01311025,0,0,0.211996655,-0.030940502,-0.040871664,-0.001173632,-0.045421685,-0.004008216,0.103653493,0,0,1.176345328,-0.172527445,-0.252516076,-0.013270045,-0.178092688,-0.036426075,0.532088914,0,0,2.069010417,-0.062760417,0.041714892,-0.148177083,-0.882006448,0.163628472,0.365017361,0,0,-0.41025705,-0.005585705,0.097574349,-0.259913078,0.010302143,0.072241713,0,0,-0.089456978,0.022247698,-0.017801967,-0.651943069,0.094593047,0.584817267,0,0,-0.132149863,-0.105029495,0.002329417,-0.426675213,0.028366613,0.577526914,0,0,-0.001605412,0.06922331,-0.125472961,-0.471961694,0.111629014,0.202345996,0,0,-0.145948065,-0.192793908,-0.005536087,-0.214256612,-0.018906979,0.488939285,0,0,-0.146663943,-0.21466152,-0.011280739,-0.151394904,-0.030965461,0.452323736,0,0,-0.030333543,0.02016176,-0.071617369,-0.426293866,0.079085379,0.176421229,0,0,1.112294186,0.753907397,1.322330111,1.939287326,0.142508351,0,0,0,1.170927332,0.915782169,1.0221277,1.744973288,0.5778723,0,0,0,1.491123972,1.167254118,0.865674557,1.282342121,0.734325443,0,0,0,0.512040592,0.530805128,1.542806706,2.413046294,0.057193294,0,0,0,1.594610489,1.277272841,0.858225113,1.071227362,0.741774887,0,0,0,1.599979575,1.293653979,0.873848345,1.037403276,0.726151655,0,0,0,0.5437382,0.570589469,1.496538704,2.389643082,0.075519194,0,0,0,19.29932374,9.774661868,15.01072985,19.4659904,3.244331734,9.774820931,0.25,3.33E-16,5.55E-17,-21.38291297,3000004.229,500000.7049,8.948474554,19.30096098,9.775113281,15.01118126,19.46713803,3.244523006,9.775272238,0.249265579,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,20.7602287,10.18061711,15.41668509,20.49423238,3.415705396,10.1807103,-0.398994478,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,19.30267932,9.775587063,15.01165504,19.46834252,3.244723754,9.775745909,0.2484948,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,22.32264738,10.62017656,15.85624454,21.60111787,3.600186312,10.62023331,-1.082294264,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,19.47089839,9.822016289,15.05808427,19.58632118,3.264386864,9.8221648,0.173134186,4.44E-16,7.40E-17,-21.21030373,3000004.229,500000.7049,8.948474554,21.00213768,10.5864852,16.55441543,21.22478318,3.537463863,10.58656669,0.667936508,5.55E-16,9.25E-17,-21.07641759,3000004.121,500000.6869,8.948474532,0,11.89,15.99491589,-0.299207371,0.132157162,4.115246586,6.38851633,5,15,14,14,4,1,1,0,0,1,11.89007,3.529364191,2.902564078,2.477573932,1.598026915,1.536231436,0.083923071,0.083923071,0.083923071,1.81693578,1.563026335,1.040992466,0.769718516,0.185366199,0.083923071,0.083923071,0.083923071,3.480718849,2.950308951,2.395804565,1.695309721,1.454167953,0.270913902,0.270913902,0.270913902,1.78899117,1.473453684,0.994195658,0.630337185,0.290877631,0.270913902,0.270913902,0.270913902,3.630111587,3.155598408,2.698537678,2.090117344,1.918490877,0.943918427,0.943918427,0.943918427,1.596575217,1.195492746,0.637635093,0.162386152,0.205569803,0.943918427,0.943918427,0.943918427,3.479566225,2.985267979,2.397059765,1.765276817,1.448674341,0.399277246,0.399277246,0.399277246,1.77469341,1.415133181,0.971268459,0.536857124,0.300544449,0.399277246,0.399277246,0.399277246,3.663832748,3.252217518,2.766423375,2.26277616,2.014962604,1.207644823,1.207644823,1.207644823,1.558123915,1.104407163,0.559045449,0.004703131,0.296626356,1.207644823,1.207644823,1.207644823,4.765436337,3.182088119,3.070113665,2.092021706,1.845131773,0.576923077,0.576923077,0.576923077,1.64035426,1.31731694,0.677590926,0.424851574,0.451475947,0.576923077,0.576923077,0.576923077,0,0,0,1,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.102062073,0,0,0,0.577350269,0.288675135,0,0.204124145,0.102062073,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.322461853,2.325444489,1.245781916,0.788675135,0.25,0,0,0,0.720410309,0.465088898,0.249156383,0.197168784,0.25,0,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,1.3755,25.589,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,29,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,2,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18055556,0.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.414583333,0.802777778,0,0,0,0,0,0,0,0,0,0,3.761574074,0,1.381944444,0,0,0,0,0,0,0.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18055556,0.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305902778,0.401388889,0,0,0,0,0,0,0,0,0,0,1.880787037,0,0.690972222,0,0,0,0,0,0,0.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18055556,0.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,1.880787037,0,0.690972222,0,0,0,0,0,0,0.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.66666667,2.611111111,0.565972222,10.18055556,0.305902778,0.342592593,2.242791667,1.324074074,3.180555556,6.361111111,1.324074074,3.180555556,6.361111111,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.42,0.49792,0.82778,0.07792,0,-0.07792,0,0.57047,0.14382,0,0.47059,0.17647,0,4.25,0.70833,2.75,0.45833,1.5,0.25,-1.25,-0.20833,0,0,4.0123,0.66872,5.73058,1.71827,0.28638,2.11989,0.35332,2.80805,0.68816,0.11469,0.10595,0.01766,0.10595,0.01766,0,5.01,1,1,1,1,0,0,0.8,1.198192411,1.673794941,2.280639062,2.280639062,2.030639062,1.405639062,19.17107858,26.78071905,36.490225,36.490225,32.490225,22.490225,0.299548103,0.418448735,0.570159766,0.570159766,0.507659766,0.351409766,2.801807589,2.326205059,1.719360938,1.719360938,1.969360938,2.594360938,0.299548103,0.418448735,0.570159766,0.570159766,0.507659766,0.351409766,10.71860945,16.4258398,17.0374325,17.0374325,14.0374325,5.538703846,21.96987352,16.73794941,17.68383437,17.68383437,16.18383437,9.683834373,6,3.2,3,6,1,5,1.9,0.8288,0.25,2.309401077,1,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,2.889,5,4,1,0,0,0,0,0,0,21,1.945910149,2.079441542,1.945910149,0.693147181,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,17.07,101.1901498,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,86.07316494,5.379572809,10.6758508,1.779308466,2.382088123,2.382088123,0,31,4,0.691,20,1.2268,2.113225145,2.881069561,3.66165106,4.849506123,5.576750225,0,0,0,0,82.78024119,87.84321781,90.32024396,72.23614155,24.31059591,5.66633514,0,0,0,0,280.7281514,315.7100173,339.7025475,417.6081892,296.9364431,173.3462787,0,0,0,0,9.137724337,15.45570288,21.67110994,27.91482528,33.27883679,37.46719562,0,0,0,0,2.061570699,2.494368346,2.721343388,3.606202846,3.325208516,2.479495117,0,0,0,0,177.2249115,333.5421404,481.803957,599.2999852,841.1926885,1031.239558,0,0,0,0,3.387355556,5.102432217,8.738726104,10.81632399,6.597152447,5.576750225,0,0,0,0,0.444136,0.564185069,0.654323225,0.847186112,0.737065561,0.571059223,0,0,0,0,361.7357736,150.5273918,8.838467475,112.1228119,-46.65713392,-16.11898578,249.6129617,197.1845258,24.95745325,0.763383391,0.31766311,0.018652121,0.236616609,-0.098462147,-0.034016448,171.411602,71.32869696,4.188183695,53.13035702,-22.10888348,-7.638119799,0.317445579,0.718996088,1.916781192,28.56428822,434.1305692,39.72801619,0.916160607,0.083839393,382.2140291,19.55029486,7.257196369,479.08439,21.88799648,7.824753652,600.3702575,24.50245411,8.436061226,1.82357629,1.82357629,286.2627527,242.3215375,57.34137837,1.181334336,4.992254475,4.225945459,3.401132177,3.18658557,6.373000728,0.999946522,2.80222057,3.881220796,3.389000868,3.431434815,5.005109631,1.493272558,1.524104152,6.853571643,3.786068662,2.422102693,0.664724983,0.398625262,1.69E-17,1.38E-55,2.18E-115,6.62E-197,3.88E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,0.251664719,3.88108081,0.305159989,3.186500485,0.242732081,0.166846517,0.289850225,0.431331026,0.284882348,0.198323918,0.004681716,0.00280755,1.19E-19,9.72E-58,1.53E-117,4.66E-199,2.73E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765026468,3.88097264,0.697310007,2.81279,0.652547998,0.289097433,0.433227179,1.487169917,0.518838251,0.643473091,0.048787062,0.029256839,1.24E-18,1.01E-56,1.60E-116,4.86E-198,2.85E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650178473,3.881263869,3.752644362,3.633910491,5.090024745,1.87524555,1.410138872,6.370168763,3.401668964,2.282861489,0.592257995,0.355167932,1.51E-17,1.23E-55,1.94E-115,5.90E-197,3.46E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,1.11993283,3.88094414,0.875624881,2.700984587,0.954946801,0.286358144,0.563884848,2.287707956,0.822174651,0.951658479,0.105972009,0.063549764,2.69E-18,2.20E-56,3.47E-116,1.06E-197,6.19E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,3.384110175,3.881356617,4.65805531,3.734833751,7.195091052,2.180877781,1.989672439,8.745853301,5.402417605,2.941173488,0.969438904,0.581357482,2.46E-17,2.01E-55,3.17E-115,9.65E-197,5.66E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,1.722243656,3.545758576,5.049745747,5.311822684,5.069256512,3.477163403,0.758959888,3.27646737,1.519819616,1.590931877,0.221247236,0.132678527,5.62E-18,4.60E-56,7.24E-116,2.20E-197,1.29E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,4.234506067,0.837833893,0.415503769,0.771615643,0.152670873,0.610595333,0.514900176,0.499980711,5.487843729,5.655389071,12.61736235,0.657423464,1.62547622,2.737579057,0.636132154,0.077800227,0.793153697,0.184305388,0.255202041,0.296822176,0.017529319,3.451511438,2.003937561,5.590935143,0.689730545,0.569553536,3.496473305,0.626853801,0.21380166,0.806172354,0.144531978,0.41630212,0.288230409,0.13238094,4.337128766,3.073351762,7.879086214,0.70925853,0.83691347,4.109506912,0.854643153,0.397925649,0.766402254,0.159386625,0.57507904,0.535768183,0.458571628,5.362075714,5.487524578,12.24717961,0.649603381,1.569418852,3.821041305,0.648995121,0.280208577,0.804388258,0.136623505,0.497177407,0.308951269,0.227387279,4.750245002,3.732379708,9.177496352,0.706582388,1.033515955,4.301661354,0.8735015,0.439055472,0.76620842,0.155587376,0.630115863,0.559673213,0.558267188,5.614218326,6.029691213,13.29366383,0.64931263,1.748056264,4.110042352,0.858106769,0.397230173,0.766030159,0.159934037,0.575228932,0.540119604,0.456970088,5.365379294,5.500353897,12.26670648,0.649045238,1.572318624 +UMLS0023,L,3-Pentanone,CCC(=O)CC,7288,"Co-optima vals are experimental, not predicted",Sandia,,C5H10O,PubChem,,6.9,0,0.0686,0.00470596,23.2621,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,1010.869782,1283.317231,646.831922,149.520672,12.192768,0,0,0,2914.106344,3917.940807,5706.410083,4650.250206,2017.711008,373.0049332,0,0,0,125.864664,130.65468,256.400764,342.025544,259.293312,80.621568,0,0,0,22.06875486,30.09593172,47.13256515,45.20468587,23.58460444,5.335354858,0,0,0,2979.777961,2598.236709,5550.680106,8054.455437,6708.919734,2219.011824,0,0,0,26.77777778,32.75,56.08333333,68.33333333,45,12,0,0,0,48.76541633,56.15943233,35.64770086,13.20065147,3.934754526,1.016064,0,0,0,161.8947969,217.6633782,158.5113912,94.90306543,53.0976581,31.08374443,0,0,0,6.992481333,7.258593333,7.122243444,6.980113143,6.823508211,6.718464,0,0,0,1.226041937,1.671996207,1.309237921,0.92254461,0.620647485,0.444612905,0,0,0,165.54322,144.3464838,154.1855585,164.3766416,176.5505193,184.917652,0,0,0,1.487654321,1.819444444,1.55787037,1.394557823,1.184210526,1,0,0,0,0.024452519,-0.001407267,-0.00588181,-0.017389551,0.005112838,0.007339531,0,0,0,484.264036,4.90E-13,-121.066009,-390.1015846,107.6142302,161.4213453,0,0,0,900.5096538,2.98E-13,-225.1274134,-725.4105544,200.1132564,300.1698846,0,0,0,0.094864,1.36E-15,-0.023716,-0.076418222,0.021080889,0.031621333,0,0,0,4.025697139,2.94E-15,-1.006424285,-3.242922696,0.894599364,1.341899046,0,0,0,21.86765075,6.53E-14,-5.466912688,-17.61560755,4.859477945,7.289216918,0,0,0,1.49382716,-0.435185185,-0.015432099,-0.714677641,0.006858711,0.411522634,0,0,0,0.001358473,-7.82E-05,-1.63E-04,-3.55E-04,1.35E-04,6.12E-04,0,0,0,26.90355756,2.72E-14,-3.362944694,-7.961256828,2.831953427,13.45177878,0,0,0,50.0283141,1.66E-14,-6.253539262,-14.80429703,5.266138326,25.01415705,0,0,0,0.005270222,7.55E-17,-6.59E-04,-0.001559556,5.55E-04,0.002635111,0,0,0,0.223649841,1.63E-16,-0.02795623,-0.066182096,0.023542089,0.111824921,0,0,0,1.214869486,3.63E-15,-0.151858686,-0.359502195,0.127880999,0.607434743,0,0,0,0.082990398,-0.024176955,-4.29E-04,-0.014585258,1.80E-04,0.034293553,0,0,0,-0.057551019,-0.120270016,-0.261240913,0.099043808,0.45023158,0,0,0,1.01E-15,-0.125,-0.295918367,0.105263158,0.5,0,0,0,3.31E-16,-0.125,-0.295918367,0.105263158,0.5,0,0,0,1.43E-14,-0.125,-0.295918367,0.105263158,0.5,0,0,0,7.31E-16,-0.125,-0.295918367,0.105263158,0.5,0,0,0,2.99E-15,-0.125,-0.295918367,0.105263158,0.5,0,0,0,-0.291322314,-0.005165289,-0.175746332,0.002174859,0.41322314,0,0,0,1.473090791,1.237401176,1.202533058,0.604472112,0.003655279,0,0,0,1.416666667,1.298611111,1.214285714,0.559210526,0,0,0,0,1.416666667,1.298611111,1.214285714,0.559210526,0,0,0,0,1.416666667,1.298611111,1.214285714,0.559210526,0,0,0,0,1.416666667,1.298611111,1.214285714,0.559210526,0,0,0,0,1.416666667,1.298611111,1.214285714,0.559210526,0,0,0,0,1.773760331,0.922004132,1.154790015,0.823564593,0,0,0,0,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,19.31946284,9.613435124,14.17999247,19.25773445,3.209622408,9.613610387,-0.092592593,0.030784955,0.005130826,-2.088437505,42.46516056,7.07752676,2.249210393,0,11.9,12.1000824,-0.151386681,0.048709419,5.658995554,7.448506275,6,18,18,18,6,0,0,0,0,0,13.118484,3.627101149,2.781418157,2.459820995,1.995857275,1.19006016,0.939129545,0.083923071,0.083923071,1.803483423,1.724171079,1.226892172,0.757863935,0.621200126,0.356238123,0.083923071,0.083923071,3.652027279,2.827185891,2.510897621,2.069299418,1.30885592,1.065160977,0.270913902,0.270913902,1.74157494,1.655976007,1.117615365,0.62194973,0.476079793,0.194747858,0.270913902,0.270913902,3.761432789,3.028373609,2.734801489,2.377097536,1.778468089,1.560463307,0.943918427,0.943918427,1.560904806,1.452583651,0.767027153,0.172849073,0.010166862,0.366071564,0.943918427,0.943918427,3.670376732,2.860960277,2.548571849,2.122681568,1.39352899,1.154824297,0.399277246,0.399277246,1.702261215,1.612285733,1.045523917,0.531260614,0.378767248,0.085181511,0.399277246,0.399277246,3.814659654,3.125134419,2.841861735,2.516843435,1.978039144,1.769475288,1.207644823,1.207644823,1.505142931,1.38842831,0.648284366,0.016182923,0.182659309,0.575234484,1.207644823,1.207644823,3.683113856,3.004731084,2.602772128,2.24669346,1.550284617,1.306777667,0.642857143,0.642857143,1.648721688,1.561175749,0.840257381,0.377595282,0.212437591,0.102957736,0.642857143,0.642857143,0,0,0,0,0,1,4,1,0,0,0,0.144337567,0.144337567,0,0,0,0.144337567,0.144337567,0,0.288675135,0,0,0,0.288675135,0,0,0,0.40824829,0.433012702,0,0.40824829,0.433012702,0,4.405777394,2.89384685,2.389628766,1.64384685,1.129936127,0.288675135,0,0,0.734296232,0.482307808,0.341375538,0.234835264,0.161419447,0.144337567,0,0,4.405777394,2.89384685,2.389628766,1.64384685,1.129936127,0.288675135,0,0,0.734296232,0.482307808,0.341375538,0.234835264,0.161419447,0.144337567,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.1965,27.632,18.09925825,25.29161865,36.19851651,6.033086084,18.09925827,0.064833572,0.010805595,-1.641559038,30.97618464,5.16269744,2.059931203,29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,1,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,2.340277778,0,5.946759259,0,0,0,1.046296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.340277778,0,1.486111111,0,0,0,1.046296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.340277778,0,1.487268519,0,0,0,1.046296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.333333333,1.555555556,0.2,2.340277778,0.2,1.046296296,4.322013889,0.287037037,0.340277778,0.680555556,0.287037037,0.340277778,0.680555556,3,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.16667,0.16667,0,3,0.5,3,0.5,0,0,-3,-0.5,0,0,5.2306,0.87177,5.2306,0,0,2.89384,0.48231,2.89384,0,0,0.02016,0.00336,0.10616,0.01769,0.277777778,6,0,0,0,0,0,0,1,0.918295834,1.335505557,2.350209029,2.683542362,2.281036113,2.169925001,16.52932501,24.03910002,42.30376252,48.30376252,41.05865003,39.05865003,0.220218789,0.320270882,0.563609424,0.643546913,0.547020896,0.520375067,3.251629167,2.834419445,1.819715972,1.486382639,1.888888889,2,0.220218789,0.320270882,0.563609424,0.643546913,0.547020896,0.520375067,6.73287657,11.73939324,15.20474235,14.31933125,11.47096983,15.02304759,23.69925001,19.03258335,16.91696043,18.0614882,21.58596668,17.3216389,4.166666667,1.632653061,0.979591837,0,0,0,2.12,0.8454,0,1.632993162,1,0,4.242640687,2.828427125,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,2.896,7,7,7,2,0,0,0,0,0,35,1.945910149,2.079441542,2.079441542,2.079441542,1.098612289,0,0,0,0,0,3.583518938,1,0.333333333,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,0,2,3,0.5,1,0.444444444,0.222222222,0,0,0,0,0,0,0,0.166666667,0.063492063,0.111111111,0,0,0,0,0,0,0,0.341269841,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,0,99.97590776,3.584962501,3.295836866,4.007333185,4.762173935,5.493061443,6.251903883,6.989335266,7.747164967,8.487764381,9.243871855,68.27844578,2.564949357,0,3.713572067,2.397895273,5.017279837,4.442651256,6.385194399,6.224558429,7.788626066,8.245646901,84.09390038,4.671883355,11.57549817,1.929249695,0,0,0,26,2,3.353,26,1.3586932,2.428984679,3.271862156,3.991625748,5.189420775,0,0,0,0,0,97.95016178,98.62149702,49.38424622,17.81665479,5.272783631,0,0,0,0,0,346.3145629,419.9486792,329.9106066,227.8648601,161.3066291,0,0,0,0,0,9.931467889,17.38122318,22.88883808,27.31285149,34.86493666,0,0,0,0,0,2.546145545,3.394988746,3.142064218,2.604688044,2.307283445,0,0,0,0,0,191.8101477,368.6273274,534.0577669,698.6730895,959.6155051,0,0,0,0,0,2.567627536,3.911829643,4.653612384,4.864094394,5.189420775,0,0,0,0,0,0.524969925,0.712688638,0.678296408,0.579466197,0.531396687,0,0,0,0,0,278.5608318,86.7152713,7.192341103,52.17331277,-16.24141823,-2.811746998,226.387519,102.9566895,10.0040881,0.842249996,0.26219026,0.021746594,0.157750004,-0.049107171,-0.008501532,92.12957842,28.67970108,2.378752782,17.25549597,-5.371591565,-0.929940738,0.095192775,0.200185818,1.764709987,1.957923523,330.7341446,0,1,0,278.2605624,16.68114392,6.52855729,394.5049954,19.86214982,7.334167691,424.0305469,20.59200201,7.512751918,1.191705026,1.076059949,286.3080235,231.5463709,101.1755765,1.236504042,2.829813612,2.288559937,3.754010772,3.828720141,6.541971623,0.708657562,3.346806641,2.544377909,1.779518247,9.595076347,8.74986651,7.112944536,6.789601352,7.741810796,1.686768364,0.524670838,0.944758256,0.838482379,7.74E-10,1.38E-40,4.74E-93,3.14E-167,4.01E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,0.28087429,2.544148414,0.721231225,3.239067057,0.714704912,1.152216656,0.334632323,0.306574633,0.072300705,0.043520549,0.006655236,0.0059055,5.45E-12,9.71E-43,3.34E-95,2.21E-169,2.83E-265,0,0,0,0,0,0,0,0,0,0,0,0,0,0.906696446,2.544164222,0.889488835,4.22006804,1.614829964,1.760641046,1.150106132,1.093093333,0.279015323,0.140826638,0.06934306,0.061539863,5.68E-11,1.01E-41,3.48E-94,2.30E-168,2.95E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,3.15911246,2.544352879,1.697834296,9.094035583,7.996164145,6.532841168,6.216798295,7.027966705,1.544477688,0.494894316,0.841763441,0.747072704,6.90E-10,1.23E-40,4.22E-93,2.80E-167,3.58E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336303737,2.544184289,1.019173738,4.987438988,2.452465662,2.358918392,1.858994045,1.850113721,0.457389984,0.207893508,0.150619377,0.133672805,1.23E-10,2.20E-41,7.55E-94,5.01E-168,6.40E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041753714,2.544483048,2.101141717,11.57729338,11.83773628,9.505140417,9.112123863,10.678548,2.262945585,0.635284194,1.377837127,1.222847749,1.13E-09,2.01E-40,6.91E-93,4.58E-167,5.85E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,2.228358503,2.437120525,1.178062917,6.53531874,4.533551727,3.674582771,3.618009523,3.815306312,1.013587673,0.336321419,0.390442391,0.346515677,3.20E-10,5.70E-41,1.96E-93,1.30E-167,1.66E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,3.218139162,1.447190077,0.756691454,0.593531332,0.26690973,0.473218493,0.399646098,0.417485904,5.422020693,8.187473826,17.13360265,0.390296997,1.290350495,2.482296311,0.927319894,0.27647492,0.673422394,0.251572699,0.280498639,0.163795514,0.056148188,3.686091125,3.244556118,7.567060092,0.510133592,0.500442342,2.774309778,1.133844984,0.467391241,0.634048819,0.259132228,0.350879392,0.245084189,0.160033705,4.375546003,4.972274531,10.81806382,0.451073229,0.755997285,3.199899226,1.434323852,0.744820889,0.594882519,0.266650331,0.467824239,0.392558481,0.40457288,5.379043968,8.04135794,16.83890022,0.392323779,1.264955599,2.904579064,1.22587839,0.552406966,0.620256921,0.261779603,0.384861349,0.286576155,0.223252422,4.68286442,5.842354175,12.49215237,0.430385381,0.894689925,3.275250023,1.487469768,0.793849553,0.589437442,0.267695709,0.490312008,0.422245372,0.459197977,5.556569345,8.652718372,18.07679207,0.384156164,1.371755357,3.211726985,1.435837568,0.747144521,0.595347579,0.266156626,0.471374451,0.393414251,0.406748224,5.394709074,8.083920654,16.92410033,0.393021368,1.271536927 +UMLS0024,L,Methylcyclopentane,CC1CCCC1,7296,[9] has RON of 89.3; co-opt are predicted,"Sandia, UML",[1],C6H12,PubChem,,11.3,0,-0.7176,0.51494976,21.4511,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,1082.455342,1389.632131,596.232338,135.295776,12.192768,0,0,0,2644.81273,3446.892775,4755.848717,3546.267141,1582.538586,373.0049332,0,0,0,118.238936,121.406152,235.752484,275.48372,165.234816,80.621568,0,0,0,19.03383305,24.9697231,36.14876604,31.80430832,17.36002377,5.335354858,0,0,0,2668.599586,2345.089558,4929.104368,6250.646341,4120.072605,2219.011824,0,0,0,34.77777778,35.41666667,65.41666667,66.33333333,31,12,0,0,0,61.71557788,67.65345887,44.82684294,16.11438751,5.637324,1.016064,0,0,0,165.3007956,215.4307984,153.4144747,95.84505787,65.93910774,31.08374443,0,0,0,7.3899335,7.5878845,7.604918839,7.445505946,6.884784,6.718464,0,0,0,1.189614566,1.560607694,1.166089227,0.8595759,0.723334324,0.444612905,0,0,0,166.7874742,146.5680974,159.0033667,168.9363876,171.6696919,184.917652,0,0,0,2.173611111,2.213541667,2.110215054,1.792792793,1.291666667,1,0,0,0,0.166066451,-0.040313505,-0.022763373,-0.049256073,0.016216016,0.013083709,0,0,0,523.7576238,26.4309685,-72.68295589,-423.3849433,-21.96875788,229.7268767,0,0,0,766.4429154,-57.19330087,-170.8570671,-361.9267249,-125.2254238,331.981059,0,0,0,1.03666,0.035866,-0.19612625,-0.65370875,0.138316,0.157323,0,0,0,3.391946473,-0.591328798,-1.012917554,-0.593401353,-0.742167445,1.243841913,0,0,0,18.82152525,-3.792909478,-6.033480688,-1.68412369,-4.285315738,6.385066966,0,0,0,6.333333333,-0.583333333,0.083333333,-4.333333333,0.333333333,1.333333333,0,0,0,0.010379153,-0.002519594,-7.34E-04,-0.001331245,6.76E-04,0.001090309,0,0,0,32.73485148,1.651935531,-2.34461148,-11.44283631,-0.915364911,19.14390639,0,0,0,47.90268221,-3.574581304,-5.511518293,-9.781803377,-5.21772599,27.66508825,0,0,0,0.06479125,0.002241625,-0.006326653,-0.017667804,0.005763167,0.01311025,0,0,0,0.211996655,-0.03695805,-0.03267476,-0.016037874,-0.030923644,0.103653493,0,0,0,1.176345328,-0.237056842,-0.194628409,-0.045516856,-0.178554822,0.532088914,0,0,0,0.395833333,-0.036458333,0.002688172,-0.117117117,0.013888889,0.111111111,0,0,0,-0.242755263,-0.070747809,-0.128261448,0.065098504,0.105047981,0,0,0,0.050464122,-0.07162432,-0.349561271,-0.027963008,0.584817267,0,0,0,-0.074621736,-0.11505657,-0.20420158,-0.108923462,0.577526914,0,0,0,0.03459765,-0.097646723,-0.272688118,0.088949768,0.202345996,0,0,0,-0.174333175,-0.154128658,-0.075651545,-0.145868545,0.488939285,0,0,0,-0.201519772,-0.165451764,-0.038693448,-0.15178776,0.452323736,0,0,0,-0.092105263,0.006791171,-0.295874822,0.035087719,0.280701754,0,0,0,1.168142891,1.442604439,1.471256872,0.078869831,0.021632994,0,0,0,1.111978186,1.172310048,1.311636988,0.722340375,0,0,0,0,1.418997242,1.177601433,1.047584768,0.917906804,0,0,0,0,0.852838684,1.449910164,1.613285599,0.071491617,0,0,0,0,1.599066754,1.241898906,0.909805926,0.927218609,0,0,0,0,1.638427349,1.268474708,0.883186401,0.907689569,0,0,0,0,1.019736842,1.264855688,1.566500711,0.271381579,0,0,0,0,16.01699491,8.133497453,11.88465401,16.18366157,2.697276929,8.134370591,0.25,0.055117943,0.009186324,-1.738967983,44.3564553,7.392742549,2.275354951,16.02168512,8.13547535,11.88765305,16.18786217,2.697977029,8.136346484,0.249265579,0.055156143,0.00919269,-1.738552295,44.49274278,7.415457129,2.277195655,20.34592842,9.97346697,14.99135977,20.0799321,3.34665535,9.973590444,-0.398994478,0.021451743,0.003575291,-2.305169623,36.16622678,6.027704464,2.152875433,16.02660813,8.137551465,11.89080232,16.19227133,2.698711888,8.138420501,0.2484948,0.055195872,0.009199312,-1.73812027,44.63769084,7.439615139,2.279147153,25.49126936,12.05574402,18.78311743,25.13050461,4.188417435,12.05576111,-1.082294264,0.038544704,0.006424117,-1.953561948,27.94976166,4.65829361,1.998245203,16.51085255,8.34199337,12.20708728,16.62627535,2.771045891,8.34268074,0.173134186,0.057424239,0.009570707,-1.714373266,121.9707428,20.32845713,2.882268721,15.52983281,7.960125143,11.81274136,15.76667886,2.627779809,7.961318891,0.460714286,0.066070199,0.0110117,-1.630222491,31.14739418,5.191232363,2.063238353,0,11.99687761,15.99741729,-0.400029819,0.070027864,5.265493364,6.661509119,6,16,16,16,6,0,0,0,0,0,12.84807,3.592237584,2.781344608,2.333548603,1.906124728,1.115103822,0.593151971,0.083923071,0.083923071,1.76558814,1.579800051,1.124699913,0.629404145,0.470374741,0.083923071,0.083923071,0.083923071,3.549552421,2.827024021,2.301276039,1.872585929,1.214691833,0.455068315,0.270913902,0.270913902,1.705877938,1.562611512,1.043644104,0.485817241,0.352879148,0.270913902,0.270913902,0.270913902,3.71134339,3.028135012,2.592110985,2.244261009,1.696263144,1.096116116,0.943918427,0.943918427,1.51132652,1.299046955,0.670938686,0.00341635,0.15992107,0.943918427,0.943918427,0.943918427,3.549975424,2.860754453,2.326287799,1.889027594,1.294051301,0.431947622,0.399277246,0.399277246,1.670923055,1.551218672,0.98662128,0.389952927,0.276702511,0.399277246,0.399277246,0.399277246,3.748067959,3.124761748,2.690986598,2.354834663,1.890222761,1.208341272,1.207644823,1.207644823,1.454127995,1.249920815,0.560039893,0.176117501,0.318366389,1.207644823,1.207644823,1.207644823,3.80200412,3.000550363,2.671019626,2.243162725,1.500256096,1.148906867,0.638297872,0.638297872,1.607404101,1.317357791,0.752545279,0.222810548,0.040250163,0.638297872,0.638297872,0.638297872,0,0,0,0,0,2,3,0,0,0,0,0.144337567,0.144337567,0,0,0,0.083333333,0.083333333,0,0.288675135,0,0,0,0.166666667,0,0,0,0.40824829,0.433012702,0,0.23570226,0.25,0,4.405777394,2.89384685,2.389628766,1.64384685,1.129936127,0.288675135,0,0,0.734296232,0.482307808,0.341375538,0.234835264,0.161419447,0.144337567,0,0,4.106918903,2.509975955,1.823636555,1.157356904,0.738641942,0.166666667,0,0,0.684486484,0.418329326,0.260519508,0.165336701,0.105520277,0.083333333,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,1.1853,24.648,18.09925825,25.29161865,36.19851651,6.033086084,18.09925827,0.064833572,0.010805595,-1.641559038,30.97618464,5.16269744,2.059931203,29,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,1,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.833333333,0,0,0,0,0,0,0,0,0,0,0,2.118055556,0,3.516203704,0,0,0,0.546296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,2.118055556,0,0.987268519,0,0,0,0.546296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.118055556,0,1.265046296,0,0,0,0.546296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.33333333,1.888888889,0.45,5.152777778,0.166666667,0.546296296,2.841986111,0.787037037,1.652777778,3.541666667,0.787037037,1.652777778,3.541666667,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.43333,0.49792,0.82778,0.06458,0,-0.06458,0,0.57047,0.14382,0,0.17647,0.17647,0,3.5,0.58333,3.5,0.58333,0,0,-3.5,-0.58333,0,0,4.36053,0.72676,5.2306,0.87007,0.14501,2.40981,0.40163,2.89384,0.48403,0.08067,0.02016,0.00336,0.10616,0.01769,0.3125,6.01,1,1,1,1,0,0,1,1.198192411,1.798794941,3.077819531,3.327819531,3.327819531,3.327819531,19.17107858,28.78071905,49.2451125,53.2451125,53.2451125,53.2451125,0.299548103,0.449698735,0.769454883,0.831954883,0.831954883,0.831954883,2.801807589,2.201205059,0.922180469,0.672180469,0.672180469,0.672180469,0.299548103,0.449698735,0.769454883,0.831954883,0.831954883,0.831954883,10.71860945,17.9258398,20.58889467,20.84085093,20.84085093,20.84085093,21.96987352,15.23794941,13.85845859,13.35845859,13.35845859,13.35845859,4.166666667,1.632653061,0.979591837,0,0,0,1.9,0.7632,0,1.144714243,1,0,2.381101578,1.889881575,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.42,0.414,0.423,0.246,2.756,7,7,7,2,0,0,0,0,0,35,1.945910149,2.079441542,2.079441542,2.079441542,1.098612289,0,0,0,0,0,3.583518938,1,0.333333333,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0.166666667,0,2,3,0.5,1,0.444444444,0.222222222,0,0,0,0,0,0,0,0.166666667,0.063492063,0.111111111,0,0,0,0,0,0,0,0.341269841,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,9.23,91.47014983,3.584962501,3.295836866,4.007333185,4.762173935,5.493061443,6.251903883,6.989335266,7.747164967,8.487764381,9.243871855,68.27844578,2.564949357,0,3.713572067,2.397895273,5.017279837,4.442651256,6.385194399,6.224558429,7.788626066,8.245646901,86.07316494,5.379572809,11.57549817,1.929249695,2.891111036,2.891111036,0,26,2,0.986,26,1.309911391,2.241198736,2.976336421,3.754704948,4.776067369,0,0,0,0,0,107.6946951,111.6476368,54.83331528,23.55728718,4.852790116,0,0,0,0,0,313.1104913,365.4007522,305.4928407,265.6142409,148.4580575,0,0,0,0,0,10.13777901,17.25740995,22.30280626,25.93637784,32.08783668,0,0,0,0,0,2.165401804,2.708941102,2.674825228,2.860102887,2.123501187,0,0,0,0,0,190.3085692,353.9272541,499.7134276,637.7152381,883.1791638,0,0,0,0,0,3.152731123,4.985664245,5.500028127,5.009792114,4.776067369,0,0,0,0,0,0.494137604,0.643946154,0.628531323,0.629412813,0.489069299,0,0,0,0,0,257.4259963,120.5502095,9.884702851,45.41605786,-21.2679192,-11.24891712,212.0099384,141.8181287,21.13361997,0.850033847,0.398062977,0.032639796,0.149966153,-0.07022776,-0.037144501,77.95941751,36.50767307,2.993503716,13.75389225,-6.440820338,-3.406645169,0.127428795,0.806508894,2.345396322,22.83064688,274.5340627,28.30799147,0.90652556,0.09347444,391.7044361,19.79152435,7.316771572,488.574797,22.10372812,7.876084255,595.6939329,24.40684193,8.414101093,1.792929426,1.792929426,235.5995735,164.8149065,94.79726567,1.429479763,2.485299252,1.738604013,3.35748292,3.412924592,5.575364585,0.633603215,2.789038346,2.735300742,12.11315708,2.970476358,9.47975568,6.562286279,3.999928472,0.528813154,3.058754241,0.584781977,1.48E-08,7.41E-38,7.18E-89,1.34E-161,4.84E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234094726,1.947116845,1.729851862,2.408499233,1.818474664,1.127646364,1.087966992,0.041521881,0.021793092,0.004118667,1.04E-10,5.22E-40,5.06E-91,9.45E-164,3.41E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.755613178,1.677871835,3.259274475,2.058219896,2.206187672,1.767558962,1.369712848,0.135920742,0.225137647,0.042919689,1.08E-09,5.44E-39,5.27E-90,9.85E-163,3.55E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.632626535,2.807929746,11.62818735,3.146583611,9.627765704,6.161842674,3.768880515,0.497188756,2.725467125,0.521030213,1.31E-08,6.60E-38,6.40E-89,1.20E-161,4.31E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.11361925,1.634826397,4.416887121,1.96467174,2.713574821,2.321288257,1.641293182,0.202227299,0.488413772,0.093227299,2.35E-09,1.18E-38,1.14E-89,2.14E-162,7.71E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368160911,3.295372376,15.44843272,3.459940021,12.70964267,8.622866854,5.209965196,0.647939631,4.460090045,0.852849555,2.15E-08,1.08E-37,1.05E-88,1.96E-161,7.05E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.855997001,2.700532673,8.070007613,3.354658745,7.829513821,4.061611273,2.776857894,0.321294943,1.246955036,0.238254314,6.01E-09,3.02E-38,2.93E-89,5.47E-162,1.97E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.775775998,1.166565967,0.574353237,0.614559069,0.258278656,0.559135287,0.654859921,0.491440533,4.516695202,5.50242268,11.87894592,0.421838603,1.70543574,1.777047457,1.055307936,0.139543144,0.597950245,0.355095547,0.235512167,0.523499457,0.028621063,2.971898537,2.270568059,5.504156358,0.429568687,0.787632687,2.277783123,0.981785643,0.316865676,0.636886586,0.274515208,0.379044711,0.462745879,0.149473042,3.576434443,3.269140231,7.554179729,0.455329879,0.991263631,2.693418591,1.196644042,0.55153037,0.606408239,0.269417761,0.526980062,0.687865937,0.451983139,4.441593003,5.368550992,11.58776129,0.409612358,1.666829138,2.493885018,0.980594502,0.402322534,0.643284074,0.252939017,0.452733362,0.463122126,0.241947762,3.876802054,3.843351341,8.704029103,0.464926111,1.15780325,2.82178596,1.202580937,0.604261881,0.609637561,0.25981365,0.577566161,0.695659418,0.543525758,4.628628778,5.825197514,12.50434427,0.414456342,1.816751337,2.735436459,1.177939425,0.559763508,0.611524976,0.263336177,0.543420015,0.667107655,0.46588682,4.473139392,5.412743464,11.68954077,0.417287464,1.67641449 +UMLS0025,L,2-Methyltetrahydrofuran,CC1CCCO1,7301,[1] has BRON/BMON as 92/91,"Sandia, UML",[6],C5H10O,PubChem,,13,0,0.9959,0.99181681,31.3688,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1621.430308,1511.675147,932.521344,508.440578,160.526016,18.289152,0,3346.887898,3979.09551,4899.824225,4750.067029,3689.644434,2761.554813,1843.095563,559.5073998,0,152.568096,145.6753,259.389256,292.874708,268.423752,156.578312,186.188544,120.932352,0,23.35516286,28.53615172,36.92210936,35.87331513,27.87557381,23.66095011,20.03172529,8.003032287,0,3350.680532,2804.677982,5515.919437,6308.95423,5709.300425,3322.692514,4611.235353,3328.517736,0,92.05555556,55.63888889,97.83333333,116.1666667,117.8333333,54,39,18,0,69.4856748,68.35965826,47.68912671,39.78092492,28.25822255,24.2114561,5.945408,1.016064,0,167.3443949,209.4260795,144.1124772,125.0017639,111.8074071,131.5026102,68.26279863,31.08374443,0,7.6284048,7.667121053,7.629095765,7.707229158,8.134053091,7.456110095,6.895872,6.718464,0,1.167758143,1.501902722,1.085944393,0.944034609,0.844714358,1.12671191,0.741915752,0.444612905,0,167.5340266,147.6146306,162.2329246,166.0251113,173.0091038,158.2234531,170.7864946,184.917652,0,4.602777778,2.928362573,2.87745098,3.057017544,3.570707071,2.571428571,1.444444444,1,0,0.265050948,-0.169544357,0.046812119,0.066241071,-0.077778716,-0.014331584,0.005248575,0.010827416,0,715.056216,-13.739645,163.134436,8.082683,-477.4752,-440.557582,-11.6928,414.72,0,931.2646053,-148.2416011,14.65790436,-113.5411341,-18.13720717,-544.823367,-183.3018537,527.7549561,0,1.9334688,0.00145024,0.78334624,-0.41053792,-1.73169072,-0.37282624,0.34546032,0.41806368,0,4.097118945,-1.072153629,-0.37144502,-1.232273714,1.679403061,-1.716668431,-1.115611506,1.780189767,0,23.01673804,-6.548761719,-2.425366892,-8.182040188,11.44533947,-8.189057442,-6.415438516,8.806956266,0,37.60555556,-2.083611111,10.82333333,-0.378333333,-29.09916667,-9.2775,3.6075,7.605,0,0.013252547,-0.008923387,0.001376827,0.001743186,-0.002356931,-6.82E-04,1.94E-04,6.02E-04,0,35.7528108,-0.723139211,4.798071647,0.212702184,-14.46894545,-20.97893248,-0.433066667,23.04,0,46.56323026,-7.80218953,0.431114834,-2.987924583,-0.549612338,-25.94396986,-6.788957544,29.31971978,0,0.09667344,7.63E-05,0.023039595,-0.010803629,-0.052475476,-0.01775363,0.012794827,0.02322576,0,0.204855947,-0.056429138,-0.010924854,-0.032428256,0.050891002,-0.081746116,-0.041318945,0.098899431,0,1.150836902,-0.344671669,-0.07133432,-0.215316847,0.346828469,-0.389955116,-0.237608834,0.489275348,0,1.880277778,-0.109663743,0.318333333,-0.00995614,-0.881792929,-0.441785714,0.133611111,0.4225,0,-0.673333731,0.1038915,0.131535925,-0.177847376,-0.05149624,0.01466825,0.045389246,0,-0.02022608,0.134201243,0.005949244,-0.404693928,-0.586777151,-0.012112801,0.644424857,0,-0.167561174,0.009258697,-0.064169186,-0.01180357,-0.557177191,-0.145800828,0.629675382,0,7.90E-04,0.238323942,-0.111753854,-0.542811721,-0.183645378,0.132351002,0.240249649,0,-0.275457653,-0.053329443,-0.158297848,0.248423356,-0.399041946,-0.20169756,0.482775496,0,-0.299496539,-0.061984735,-0.187095884,0.301370653,-0.338844814,-0.206466123,0.425147427,0,-0.058323161,0.169301226,-0.005295037,-0.4689695,-0.234957685,0.071059241,0.224700842,0,1.65769843,0.960033303,1.38361799,1.795254293,0.538843674,0.10090791,8.29E-05,0,1.04922138,0.856572671,1.013240353,1.565503219,1.498822317,0.714863506,0,0,1.505949528,1.026726295,1.004350278,0.78934733,1.652652529,1.020695904,0,0,0.713221749,0.731396338,1.305110794,2.494926625,0.869342584,0.051789934,0,0,1.749688453,1.117530992,1.095188161,0.495211814,1.561787782,1.037154898,0,0,1.787392882,1.13157774,1.13323644,0.479855679,1.504309691,1.002858016,0,0,0.620475698,0.519485457,1.033387502,2.704206342,1.381402613,0.112276555,0,0,30.46551413,15.48275707,23.14295073,30.84051413,3.855064267,15.48275774,0.5,0.031417193,0.003927149,-2.768319987,99.19679351,12.39959919,3.677684552,30.47787137,15.48820126,23.15196843,30.85176974,3.856471217,15.48820193,0.498531158,0.031726783,0.003965848,-2.760475265,98.15140954,12.26892619,3.669209025,41.51923056,20.3606208,31.58675723,40.92073884,5.115092355,20.36062081,-0.797988956,0.204227304,0.025528413,-1.270817336,28.00879518,3.501099398,2.66601486,30.49084083,15.49391522,23.16143448,30.86358304,3.857947879,15.49391588,0.4969896,0.032051321,0.004006415,-2.752333502,97.08544365,12.13568046,3.660473163,53.33733612,25.5863738,40.96814554,51.71389472,6.46423684,25.5863738,-2.164588529,0.279081393,0.034885174,-1.021001447,25.38243063,3.172803828,2.587245782,31.76117611,16.05372224,24.09597649,32.02087739,4.002609674,16.05372261,0.346268372,0.061972567,0.007746571,-2.224850767,54.19204362,6.774005453,3.194027281,31.27191052,15.91341684,24.02488893,31.81982719,3.977478399,15.91341736,1.095833333,0.172021343,0.021502668,-1.408109376,28.19755492,3.524694365,2.671388215,0,11.89,15.99591765,-0.315728775,0.264047998,4.193307406,7.259440999,7,19,18,18,6,1,1,0,0,1,15.992484,3.571773866,3.112761874,2.688972338,2.333552793,1.90531352,1.186667561,0.963744163,0.083923071,1.804565464,1.636371493,1.249629723,0.971031633,0.756841955,0.260672548,0.083923071,0.083923071,3.481949602,3.104884486,2.561003521,2.405454588,1.858030292,1.208978528,0.604225852,0.270913902,1.790405834,1.577275651,1.134540686,1.046144497,0.684249171,0.20774331,0.270913902,0.270913902,3.652279204,3.312015999,2.855178221,2.704236987,2.247195646,1.667920597,1.226724651,0.943918427,1.588141808,1.309680816,0.76031856,0.703160795,0.243420256,0.320088628,0.943918427,0.943918427,3.472136718,3.120842259,2.524166644,2.457539916,1.892578308,1.257252107,0.45959235,0.399277246,1.791219511,1.538087798,1.076088243,1.058262671,0.627137893,0.136446917,0.399277246,0.399277246,3.672376108,3.384537726,2.883535139,2.838982085,2.370313734,1.832112989,1.208936353,1.207644823,1.555831877,1.237735083,0.676909098,0.631337262,0.110309425,0.478324873,1.207644823,1.207644823,4.74985247,3.358740502,3.255880593,2.612600818,2.504230588,1.677528965,1.390027909,0.571428571,1.643513218,1.414006921,0.898315104,0.58772056,0.397257681,0.249094496,0.571428571,0.571428571,0,0,1,0,0,4,0,1,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.336787657,0,0.048112522,0,1.207106781,0.666666667,0.666666667,0.365947996,0.185395406,0.185395406,6.568914101,3.680739213,3.009975955,1.882088123,0.788675135,0.333333333,0,0,0.821114263,0.525819888,0.376246994,0.268869732,0.197168784,0.166666667,0,0,5.600953631,2.847405879,1.906748834,0.758000987,0.308925565,0.166666667,0,0,0.700119204,0.406772268,0.238343604,0.108285855,0.077231391,0.083333333,0,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.2055,31.471,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,54,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,1,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.1849537,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.181944444,0.5125,0,0,0,0,0,0,0,0,0,0,5.440740741,0,0.483148148,0,0,0,0.009212963,0,0,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,4.664351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.664351852,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368402778,0.5125,0,0,0,0,0,0,0,0,0,0,1.805833333,0,0.483148148,0,0,0,0.009212963,0,0,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,4.664351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,1.817453704,0,0.483148148,0,0,0,0.009212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,4.664351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21,2.625,0.555902778,10.52060185,0.243055556,-0.118055556,2.60383875,1.784722222,3.520601852,9.369907407,1.784722222,3.520601852,9.369907407,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.5,0.27273,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,6.05478,0.75685,9.01229,2.95751,0.36969,2.62717,0.3284,3.68073,1.05356,0.13169,0.23327,0.02916,0.23327,0.02916,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,1.933206219,2.695461844,3.00869497,2.946439345,2.67650216,25.90923688,38.66412439,53.90923688,60.17389939,58.92878689,53.5300432,0.299741647,0.447301801,0.623671145,0.696146466,0.681741871,0.619284287,3.026466251,2.388721876,1.626466251,1.313233125,1.37548875,1.645425935,0.299741647,0.447301801,0.623671145,0.696146466,0.681741871,0.619284287,12.01211119,20.06453515,22.34686572,21.56333241,22.59980713,16.71373201,29.38046565,20.04323714,18.17626446,19.26198137,18.27863607,14.84347485,8,3.9375,3.673469388,8,3,3,1.9,1.0284,0.814325285,1.190550789,3.14734519,0,0,0.816496581,0,1,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.426,0.519,0.065,3.13,8,7,4,2,0,0,0,0,0,36,2.197224577,2.397895273,2.397895273,1.791759469,1.098612289,0,0,0,0,0,3.784189634,1.194444444,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,5,0.666666667,2,1.111111111,0.375,0.16,0,0,0,0,0,0,0.285714286,0.138888889,0.053571429,0.04,0,0,0,0,0,0,0.518174603,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,26.3,127.2763612,4,3.433987204,4.110873864,4.844187086,5.556828062,6.289715571,7.01301579,7.744569809,8.471568013,9.202207389,71.66695279,2.708050201,0,3.850147602,0,5.176149733,0,6.577861358,0,8.011355109,8.288283045,116.0837296,5.804186481,14.49604135,1.812005168,5.21963085,5.21963085,0,70,7,1.21,30,1.230631579,2.107000092,2.874118976,3.599566323,4.73083798,5.311486034,6.035062637,0,0,0,94.58963281,111.3830256,123.5633239,114.596038,123.434637,33.63652295,6.132009883,0,0,0,279.0386343,326.8346689,379.4341783,437.3508254,647.1145974,378.0959155,187.5923446,0,0,0,9.500427541,16.20568638,22.24340932,29.15930085,35.22794678,36.7013802,40.54635106,0,0,0,1.953218228,2.410560489,2.819822293,3.270738075,5.491066688,4.064773173,2.68326673,0,0,0,180.0610686,338.2473209,474.267024,615.7440359,744.1612043,901.2315544,1115.989613,0,0,0,3.692675439,6.396272554,9.064912736,12.64790799,12.12198189,7.857663304,6.035062637,0,0,0,0.448387105,0.580726345,0.71603302,0.847038049,1.223318633,0.894250162,0.617990414,0,0,0,391.5577673,285.4945413,14.29164738,137.4805287,-100.240485,-18.00858183,254.0772385,385.7350263,32.30022921,0.740131235,0.539648157,0.027014391,0.259868765,-0.189476803,-0.034040223,207.149054,151.0375457,7.560828776,72.73246466,-53.03105537,-9.527229444,0.362104972,0.432975078,1.639830682,5.980359742,473.418607,55.619689,0.894866422,0.105133578,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,1016.630404,31.88464213,10.05513019,1.567502935,1.567502935,509.2722642,421.9389392,123.4794408,1.206980956,4.124348644,3.417078474,4.018215915,4.210482197,7.33198478,0.741364631,3.360032699,4.293005721,3.556016475,10.61680876,4.27625995,5.963681221,4.661572895,9.484771417,3.081143857,2.928452472,2.941938292,4.701280485,0.742475872,0.118865545,8.33E-20,1.13E-59,2.94E-121,1.48E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0.298491782,4.443993353,0.298600807,5.988401972,0.186002517,3.233710915,2.11845931,0.667490622,0.303211339,0.063893388,0.91095373,0.177339503,0.005229333,8.37E-04,5.87E-22,7.94E-62,2.07E-123,1.04E-206,1.0109397025365E-311,0,0,0,0,0,0,0,0,0,0,0,0.91615042,4.162909343,0.693727701,5.642578997,0.466543755,2.828545205,1.82700548,1.659002629,0.704330614,0.326095851,1.138970847,0.715597014,0.054493565,0.008724058,6.12E-21,8.27E-61,2.16E-122,1.09E-205,1.05347711390414E-310,0,0,0,0,0,0,0,0,0,0,0,3.176711882,4.443571971,3.829780899,11.51129157,4.157414309,6.559954709,5.057911685,9.440244039,2.852385243,2.638991053,2.751607616,4.288065801,0.661532644,0.10590706,7.43E-20,1.00E-59,2.62E-121,1.32E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,1.342655413,4.056105657,0.903970859,5.685471778,0.74710354,2.751729859,1.804856992,2.381573343,1.028950309,0.601851036,1.350888045,1.199460439,0.11836727,0.018949821,1.33E-20,1.80E-60,4.69E-122,2.36E-205,2.2882930639938E-310,0,0,0,0,0,0,0,0,0,0,0,4.057749124,4.388467814,4.893715989,12.70686904,6.20363933,7.516583096,6.076235487,13.06789634,3.994778457,4.129744309,3.721579775,6.385944029,1.082831233,0.173354226,1.22E-19,1.64E-59,4.29E-121,2.16E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,2.084250999,4.095672528,2.738524125,14.80522293,2.385683933,10.18955216,8.138806955,8.133420654,1.553953148,1.056676457,2.022852484,2.14768827,0.242441162,0.038813239,2.72E-20,3.68E-60,9.60E-122,4.83E-205,4.68690796178273E-310,0,0,0,0,0,0,0,0,0,0,0,5.432907373,1.247394854,0.504175724,0.756200716,0.17362359,0.592301574,0.467153445,0.419007113,7.18447795,10.14502691,20.746294,0.634301075,1.478462132,3.481514753,0.963634447,0.155700551,0.756711247,0.209447059,0.242637785,0.275272549,0.036958693,4.600849752,4.047019726,9.170230432,0.635066871,0.554869026,4.54672931,1.002375069,0.294532393,0.778065011,0.171532747,0.414825769,0.299536183,0.142194862,5.843636772,6.191919098,13.37789553,0.667097517,0.856556814,5.218103179,1.247819914,0.484767493,0.750731616,0.179524595,0.546180882,0.464815471,0.384649752,6.950690586,9.645722389,19.7528568,0.626097425,1.395646105,5.01438099,1.049249333,0.362227017,0.780344275,0.163285501,0.504824014,0.331278273,0.217701277,6.42585734,7.457746634,15.78940199,0.670516413,1.053803563,5.493998725,1.283272169,0.528570719,0.752000798,0.175650149,0.605629215,0.494011518,0.459844162,7.305841612,10.6325626,21.66498406,0.628001198,1.559484896,5.266103342,1.267260586,0.489089092,0.749895133,0.180458393,0.556208795,0.479099826,0.391420317,7.02245302,9.868922242,20.15532365,0.6248427,1.426728938 +UMLS0026,L,Ethyl 2-methylpropanoate,CCOC(=O)C(C)C,7342,"""ETHYL ISOBUTYRATE ""","Sandia, UML",[11],C6H12O2,PubChem,,0.8,0,-0.3045,0.09272025,28.0683,17.87393,0,0,18,8,10,0,5,0,3,0,0,0,0,0,0,0,1499.385248,1326.539103,1693.98758,1600.882403,909.81686,540.166078,144.307296,12.192768,0,3077.594284,3596.111892,4302.801974,3958.106668,3054.300045,2345.84821,1391.118395,373.0049332,0,144.942368,136.28694,232.338872,264.663524,192.721664,149.543488,152.140032,80.621568,0,20.32024105,24.28072678,29.8832857,27.40131111,21.61926443,18.82674884,14.28985608,5.335354858,0,3039.502158,2557.043588,4740.081059,5487.029837,3885.606378,3107.119849,3661.504836,2219.011824,0,122.0555556,60.97222222,110.8333333,160.8333333,96.83333333,67,43,12,0,83.29918044,78.03171194,58.41336483,50.02757509,39.55725478,28.42979358,6.871776,1.016064,0,170.9774602,211.5359936,148.3724819,123.6908334,132.7956541,123.4656952,66.24373311,31.08374443,0,8.052353778,8.016878824,8.011685241,8.270735125,8.379202783,7.870709895,7.244763429,6.718464,0,1.12890228,1.428278046,1.030458128,0.856290972,0.939968019,0.990881518,0.680469337,0.444612905,0,168.861231,150.4143287,163.451071,171.4696824,168.9394078,163.5326236,174.3573732,184.917652,0,6.780864198,3.586601307,3.82183908,5.026041667,4.210144928,3.526315789,2.047619048,1,0,0.482054701,-0.273455722,-0.074138204,0.264091508,-0.155769986,-0.018701058,-0.004995931,0.021942042,0,724.0980578,-30.10774446,131.2966482,69.06111295,-450.9952343,-421.914785,-29.67051319,370.2814868,0,793.1399219,-108.0167284,-69.35848482,89.47329194,-179.2024426,-444.4062501,-73.6186308,388.5592838,0,2.632671111,-0.26361116,0.382826321,0.364535802,-1.721517086,-0.735411951,0.077215259,0.579627259,0,3.453944568,-0.840704535,-1.110320423,0.518239806,0.25603995,-1.306738655,-0.332168197,1.08867977,0,19.81899686,-5.328139384,-7.276959392,3.196928626,2.467525084,-6.210894211,-1.769105744,5.011146594,0,54,-7.62345679,6.265432099,13.48765432,-31.06790123,-16.7191358,-2.046296296,10.7037037,0,0.026780817,-0.016085631,-0.00255649,0.00825286,-0.006772608,-9.84E-04,-2.38E-04,0.001828503,0,40.22766988,-1.771043792,4.527470629,2.15815978,-19.60848845,-22.20604132,-1.41288158,30.85679057,0,44.063329,-6.353925201,-2.39167189,2.796040373,-7.791410549,-23.38980263,-3.505649086,32.37994032,0,0.146259506,-0.015506539,0.013200908,0.011391744,-0.074848569,-0.038705892,0.003676917,0.048302272,0,0.191885809,-0.049453208,-0.038286911,0.016194994,0.011132172,-0.068775719,-0.015817533,0.090723314,0,1.101055381,-0.313419964,-0.250929634,0.09990402,0.107283699,-0.326889169,-0.084243131,0.417595549,0,3,-0.448438635,0.216049383,0.421489198,-1.350778315,-0.879954516,-0.097442681,0.891975309,0,-0.600640034,-0.09545974,0.308163105,-0.252890274,-0.036752658,-0.00888328,0.068276614,0,-0.044025513,0.112546181,0.05364864,-0.487437838,-0.552009137,-0.035122133,0.767053888,0,-0.144199845,-0.054278057,0.063455042,-0.176823012,-0.530822413,-0.079559333,0.734850068,0,-0.106020725,0.09025675,0.077887203,-0.511751823,-0.264638471,0.025139679,0.330250476,0,-0.25772207,-0.199529664,0.084399123,0.058014565,-0.358420036,-0.082432011,0.472798455,0,-0.284654132,-0.227899194,0.090734782,0.097437151,-0.296887127,-0.076511257,0.379268433,0,-0.149479545,0.072016461,0.140496399,-0.450259438,-0.293318172,-0.032480894,0.297325103,0,1.571132147,1.08038133,1.041076375,1.460719839,0.782805071,0.540683694,0.151753393,0,0.951487663,0.844151959,0.987894029,1.53394993,1.452029599,0.850584916,0,0,1.416766838,1.071315382,0.785955898,1.050318687,1.524596752,0.931979087,0,0,0.881071696,0.864693941,1.176660531,1.834673992,1.138670906,0.545727183,0,0,1.750143243,1.263795959,0.726865136,0.826902395,1.412985646,0.832015017,0,0,1.802274338,1.300429444,0.736448673,0.819038449,1.359554949,0.781576024,0,0,0.833333333,0.696723783,1.00620499,1.976147343,1.477420403,0.614638448,0,0,29.33623287,15.04311644,22.58609217,29.89873287,3.737341609,15.04311752,0.75,0.066374125,0.008296766,-2.169958389,63.52800049,7.941000061,3.321184609,29.35191364,15.04985519,22.59680944,29.91276119,3.739095149,15.04985627,0.747796737,0.066568304,0.008321038,-2.167621388,63.27577773,7.909472216,3.318002078,43.3114506,21.05723358,32.40916667,42.41371302,5.301714128,21.05723358,-1.196983434,0.166074512,0.020759314,-1.43625498,29.17347537,3.646684422,2.698607935,29.36837114,15.05692777,22.60805875,29.92748444,3.740935555,15.05692884,0.745484401,0.066771785,0.008346473,-2.165179732,63.01447236,7.876809044,3.314691536,58.1714096,27.4622634,43.10532842,55.7362475,6.967030938,27.4622634,-3.246882793,0.20515778,0.025644723,-1.267180749,26.4879888,3.3109986,2.621353102,30.97956722,15.74948489,23.71482893,31.36911913,3.921139892,15.7494854,0.519402558,0.085219015,0.010652377,-1.97002455,47.51762188,5.939702735,3.088880503,26.23962054,13.7512141,20.97143959,27.16950149,3.396187687,13.75121941,1.859761905,0.08461575,0.010576969,-1.975707885,31.6606543,3.957581788,2.764059777,0,11.9964005,15.99870153,-0.404851889,0.290127654,3.996555883,6.471126375,7,17,16,16,6,1,1,0,0,1,13.80607,3.556447971,3.093689269,2.654651344,2.108810366,1.899561972,1.068230365,0.951302151,0.083923071,1.710093806,1.608280209,1.031982843,0.831268,0.506469849,0.228896458,0.083923071,0.083923071,3.415338534,3.077679277,2.530848323,1.938377959,1.79891056,1.016800201,0.604198271,0.270913902,1.737710115,1.551085024,1.067229017,0.771930127,0.607573439,0.147658579,0.270913902,0.270913902,3.622856623,3.288723733,2.830219694,2.403358692,2.228283943,1.563570305,1.226705596,0.943918427,1.502659502,1.283420236,0.716604543,0.294190451,0.097874558,0.442611187,0.943918427,0.943918427,3.384967877,3.094699652,2.509682289,1.944093967,1.772262918,1.054565118,0.459592345,0.399277246,1.761489039,1.51543375,1.072418523,0.765112436,0.597857783,0.070447845,0.399277246,0.399277246,3.626657549,3.358908142,2.874368984,2.476832855,2.327884331,1.73750025,1.208936353,1.207644823,1.485081724,1.210942904,0.667086946,0.177028921,0.02555299,0.620987355,1.207644823,1.207644823,4.859420036,4.180163435,3.377025967,2.903152221,2.547759869,1.715493734,1.414685772,0.588235294,1.467341898,1.356863289,0.617136913,0.451495534,0.208599924,0.3335955,0.588235294,0.588235294,0,0,1,0,0,3,1,0,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.177211967,0,0.021516574,0,1.207106781,0.666666667,0.666666667,0.209059043,0.120523697,0.101717521,6.568914101,3.680739213,3.009975955,1.882088123,0.788675135,0.333333333,0,0,0.821114263,0.525819888,0.376246994,0.268869732,0.197168784,0.166666667,0,0,5.048167227,2.5282545,1.428021765,0.627707981,0.262860031,0.120601133,0,0,0.631020903,0.361179214,0.178502721,0.089672569,0.065715008,0.060300566,0,0,9.853536332,18.43117261,17.6745098,18,10.43349102,139.6048383,0.547418685,1.023954034,0.981917211,1,0.57963839,7.755824351,-0.0697,28.3138,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,54,1,0,3,1,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.703402778,0,23.16240741,-0.5625,0,10.32943723,0,0,0,0,0,0,0,0.703402778,0,0,0,0,0,0,0,0,0,0,0,0,0,2.242430556,0.7625,0,0,0,0,0,0,0,0,0,0,3.067731481,0,0.323148148,0,0,0,-0.990787037,0,0,-0.5625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.477453704,10.27060185,4.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.703402778,0,4.414351852,-0.5625,0,3.105067355,0,0,0,0,0,0,0,0.703402778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.404513889,0.7625,0,0,0,0,0,0,0,0,0,0,1.373009259,0,0.323148148,0,0,0,-0.990787037,0,0,-0.5625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.477453704,10.27060185,4.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.703402778,0,10.27060185,0,0,7.224369872,0,0,0,0,0,0,0,0.703402778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.7625,0.7625,0,0,0,0,0,0,0,0,0,0,1.694722222,0,0.323148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.477453704,10.27060185,4.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,25,3.125,0.7625,10.27060185,0.305555556,-0.990787037,1.139245417,2.32412037,3.270601852,13.32481481,2.32412037,3.270601852,13.32481481,3.49999,0.4375,0,0.0625,0.60556,0.9875,0.42308,0.60556,0.91111,0.18248,0,-0.18248,0.07639,0.44304,0.27125,0,0.47619,0.28572,0,6,0.75,4.5,0.5625,1.5,0.1875,-3,-0.375,0,0,5.29251,0.66156,9.01229,3.71979,0.46497,2.34715,0.29339,3.68073,1.33358,0.1667,0.23327,0.02916,0.23327,0.02916,0,7.03,3,3,3,3,1,1,0.8,1.41526895,2.47385139,3.197159723,3.419381946,3.350209029,3.067168057,25.4748411,44.52932501,57.54887502,61.54887502,60.30376252,55.20902502,0.339399138,0.593260404,0.766718759,0.820010419,0.803421891,0.735545137,2.754656051,1.696073612,0.972765278,0.750543056,0.819715972,1.102756945,0.339399138,0.593260404,0.766718759,0.820010419,0.803421891,0.735545137,13.52582794,24.42007018,26.3703912,25.37299955,26.52463812,20.22096097,30.45091815,18.68805417,16.84745278,17.70910695,16.66716876,13.01921528,8,3.9375,3.673469388,8,3,3,1.68,0.9462,0.2,1,1.807204007,0,0,0.816496581,0,1,0,0,0.333333333,0.816496581,0,0,0,0,0,0,0,0.098,0.674,0.647,0.679,0.259,3.072,8,7,4,2,0,0,0,0,0,36,2.197224577,2.397895273,2.397895273,1.791759469,1.098612289,0,0,0,0,0,3.784189634,1.194444444,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,5,0.666666667,2,1.111111111,0.375,0.16,0,0,0,0,0,0,0.285714286,0.138888889,0.053571429,0.04,0,0,0,0,0,0,0.518174603,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,46.53,118.7706032,4,3.433987204,4.110873864,4.844187086,5.556828062,6.289715571,7.01301579,7.744569809,8.471568013,9.202207389,71.66695279,2.708050201,0,3.850147602,0,5.176149733,0,6.577861358,0,8.011355109,8.288283045,118.0629942,6.559055232,14.49604135,1.812005168,7.579504562,7.579504562,0,70,7,0.153,30,1.227294118,2.114206346,2.841275626,3.621111676,4.717759789,5.32173705,6.194294779,0,0,0,107.1569847,135.6010402,153.9327253,160.6251205,144.0408635,38.87494407,6.29379993,0,0,0,280.8997559,333.6793001,372.7024105,523.113815,610.2256003,371.5084651,192.5418758,0,0,0,9.896911164,17.11730336,23.66171759,30.04483302,37.02122186,38.58196827,41.61614648,0,0,0,1.85453137,2.263806567,2.534047435,3.686997373,4.860893426,3.781025975,2.754063395,0,0,0,182.7180734,342.8896201,485.0791768,602.644785,765.8651897,920.1762997,1145.434446,0,0,0,4.487617647,8.563709423,15.03227745,14.66826665,16.50833923,11.0129691,6.194294779,0,0,0,0.454540535,0.602982038,0.711908559,0.972654336,1.191642912,0.897630464,0.634295785,0,0,0,358.0363846,368.6204335,17.99619772,162.9861541,-167.8042494,-29.72213145,195.0502305,536.424683,47.71832917,0.687180223,0.707494218,0.034540152,0.312819777,-0.32206716,-0.057045769,186.5450261,192.0595541,9.376424623,84.91945979,-87.42979605,-15.48590039,0.281772252,0.371519756,1.435539888,11.63850692,414.4957461,106.5267927,0.795542832,0.204457168,621.5829204,24.93156474,8.534269586,726.7971772,26.95917612,8.990925739,1095.143084,33.09294614,10.30758571,1.782469004,1.782469004,505.7169154,421.4404459,117.7581081,1.199972429,4.294540083,3.578865631,3.947620728,4.210482197,7.33198478,0.741364631,3.237668448,3.727208714,3.908996166,7.248064166,5.871241674,6.102548419,3.906336518,7.612647395,0.138102345,1.27400306,2.359040485,4.694733339,0.732350733,0.118865545,8.33E-20,1.13E-59,2.94E-121,1.48E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0.308127649,4.00533844,0.373267053,4.650013144,0.302588289,2.388679691,2.701846374,0.595529229,0.076033485,0.051862396,0.890565705,0.177293391,0.005158021,8.37E-04,5.87E-22,7.94E-62,2.07E-123,1.04E-206,1.0109397025365E-311,0,0,0,0,0,0,0,0,0,0,0,0.827807094,3.4880118,0.822821355,3.560433749,0.815395705,2.305504514,1.700747852,1.297806368,0.057568613,0.194622623,1.054333179,0.715116491,0.053750437,0.008724058,6.12E-21,8.27E-61,2.16E-122,1.09E-205,1.05347711390414E-310,0,0,0,0,0,0,0,0,0,0,0,3.284168077,4.004339458,4.355851358,8.411906852,5.764680209,6.45761014,4.412573213,7.874865727,0.149837347,1.182501251,2.221089962,4.282232412,0.652511328,0.10590706,7.43E-20,1.00E-59,2.62E-121,1.32E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,1.145552785,3.29142747,1.022715542,3.222631076,1.242841585,2.464133412,1.428365439,1.755789855,0.055502351,0.318964957,1.207115989,1.198416678,0.116753097,0.018949821,1.33E-20,1.80E-60,4.69E-122,2.36E-205,2.2882930639938E-310,0,0,0,0,0,0,0,0,0,0,0,4.090606766,3.902783031,5.363028843,9.022219049,8.290329156,7.97599983,5.027785193,10.69732975,0.170979886,1.739073298,2.924640741,6.376395632,1.068064669,0.173354226,1.22E-19,1.64E-59,4.29E-121,2.16E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,3.112678205,4.524424245,3.989569267,14.32143325,4.092384067,10.06634082,8.720701304,8.435475012,0.271892628,0.622291715,1.868809106,2.273615288,0.253408623,0.041129946,2.88E-20,3.90E-60,1.02E-121,5.12E-205,4.96666284877497E-310,0,0,0,0,0,0,0,0,0,0,0,5.581474855,0.867203932,0.486813487,0.804769818,0.125038555,0.595819433,0.445630813,0.433202434,6.935492274,7.979580747,17.27138512,0.707154727,1.47465268,3.461762812,0.855684233,0.144480027,0.775844776,0.19177459,0.235205819,0.434431082,0.034769611,4.461927072,3.585960723,8.475863042,0.663767165,0.704406513,4.645760857,0.725481882,0.27255384,0.82316235,0.128545009,0.414272275,0.319609143,0.135880224,5.643796579,4.834368165,11.39678439,0.734743526,0.869761641,5.282155148,0.910137415,0.459081619,0.79414494,0.136834493,0.53453369,0.493462292,0.381238108,6.651374183,7.650254729,16.50865784,0.691217409,1.40923409,5.225215741,0.687540855,0.347187623,0.834706438,0.109831786,0.522266466,0.285578195,0.224847423,6.25994422,5.645385209,13.15261808,0.752059657,1.032692084,5.623940086,0.90233391,0.509551898,0.799329058,0.128248471,0.604967604,0.481350932,0.472225965,7.035825894,8.400147147,18.02178171,0.698993587,1.558544501,5.340242736,0.922564544,0.463826418,0.793895279,0.137151001,0.546156402,0.507556537,0.389852148,6.726633698,7.83157407,16.84335001,0.690842918,1.443565087 +UMLS0027,L,Ethyl 2-hydroxypropanoate,CCOC(=O)C(C)O,7344,Co-optima vals measured by NREL,Sandia,,C5H10O3,PubChem,,-0.6,0,2.764,7.639696,48.8625,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2258.876942,2063.146019,1416.666559,755.790843,163.574208,9.144576,0,4670.34144,5841.481647,8388.986035,9257.748935,7485.049497,4760.641003,1936.346796,279.7536999,0,169.463656,175.052008,301.268408,387.40718,481.702588,334.931628,206.343936,60.466176,0,34.11358067,43.47862034,64.20345803,75.88457971,67.82517366,45.09756585,21.36556401,4.001516144,0,3856.790689,3411.659229,6348.70826,8106.187886,11366.80668,7906.799802,5165.988309,1664.258868,0,50.34027778,60.25,89.25,117.1666667,117.6666667,81.25,42,9,0,60.70275442,67.17251842,53.78278433,38.20640776,20.53139941,15.74564256,5.4524736,1.016064,0,194.59756,243.3950686,199.7377627,171.4397951,108.4789782,99.1800209,64.54489321,31.08374443,0,7.060985667,7.293833667,7.173057333,7.174207037,6.981196928,6.97774225,6.8781312,6.718464,0,1.421399194,1.811609181,1.528653763,1.405269995,0.982973531,0.939532622,0.712185467,0.444612905,0,160.6996121,142.1524679,151.1597205,150.1145905,164.7363288,164.7249959,172.1996103,184.917652,0,2.097511574,2.510416667,2.125,2.169753086,1.70531401,1.692708333,1.4,1,0,0.053704508,-0.008350903,0.004587263,-0.02328864,-0.012619251,-0.003266101,0.002854561,0.013230817,0,706.2183858,-6.39E-14,206.8210987,-610.374462,27.74429373,-191.6878476,25.22208521,189.1656391,0,1313.243245,2.13E-13,384.5926646,-1135.017376,51.59169891,-356.4517379,46.90154447,351.7615835,0,0.138343333,2.24E-15,0.040514833,-0.119568167,0.005434917,-0.037550333,0.004940833,0.03705625,0,5.870808328,1.36E-14,1.719308153,-5.074055769,0.230638899,-1.593505118,0.209671726,1.572537945,0,31.89032402,-1.08E-13,9.339309176,-27.56235147,1.252834158,-8.65594509,1.138940143,8.542051076,0,5.194155093,-1.583043981,3.100911458,-3.442057292,0.015299479,-1.613136574,-0.317346644,1.242296007,0,0.002237688,-3.48E-04,1.09E-04,-4.31E-04,-1.83E-04,-6.80E-05,9.52E-05,0.001470091,0,29.42576608,-2.66E-15,4.924311874,-11.30323078,0.402091213,-3.993496825,0.840736174,21.01840434,0,54.71846854,8.88E-15,9.156968205,-21.0188403,0.747705781,-7.426077874,1.563384816,39.08462039,0,0.005764306,9.32E-17,9.65E-04,-0.002214225,7.88E-05,-7.82E-04,1.65E-04,0.004117361,0,0.244617014,5.67E-16,0.040935908,-0.093963996,0.003342593,-0.033198023,0.006989058,0.174726438,0,1.328763501,-4.50E-15,0.222364504,-0.510413916,0.018157017,-0.180332189,0.037964671,0.949116786,0,0.216423129,-0.065960166,0.073831225,-0.063741802,2.22E-04,-0.033607012,-0.010578221,0.13803289,0,-0.155497246,0.048809559,-0.192730685,-0.081730659,-0.030408069,0.042522474,0.65696867,0,-9.06E-17,0.167346939,-0.384126984,0.013664596,-0.135714286,0.028571429,0.714285714,0,1.62E-16,0.167346939,-0.384126984,0.013664596,-0.135714286,0.028571429,0.714285714,0,1.62E-14,0.167346939,-0.384126984,0.013664596,-0.135714286,0.028571429,0.714285714,0,2.32E-15,0.167346939,-0.384126984,0.013664596,-0.135714286,0.028571429,0.714285714,0,-3.38E-15,0.167346939,-0.384126984,0.013664596,-0.135714286,0.028571429,0.714285714,0,-0.304774107,0.341142953,-0.294523982,0.001024528,-0.155283828,-0.0488775,0.637791766,0,1.239408888,0.811893886,1.230068907,0.893740584,1.098199622,0.952433814,0.308469542,0,1.15,0.891836735,1.423809524,0.885714286,1.026785714,0.788571429,0,0,1.15,0.891836735,1.423809524,0.885714286,1.026785714,0.788571429,0,0,1.15,0.891836735,1.423809524,0.885714286,1.026785714,0.788571429,0,0,1.15,0.891836735,1.423809524,0.885714286,1.026785714,0.788571429,0,0,1.15,0.891836735,1.423809524,0.885714286,1.026785714,0.788571429,0,0,1.483705643,0.586819676,1.322266169,0.934766865,1.109896385,0.885610829,0,0,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,51.01256141,25.17199555,38.17352836,50.92656141,5.092656141,25.17199555,-0.215,0.322160345,0.032216034,-1.132705892,37.60184285,3.760184285,3.627053061,0,11.85,12.1501118,-0.209784842,0.090356042,6.636294998,9.540697499,10,24,21,18,4,3,0,0,0,6,15.304898,3.816440743,3.321824474,2.619181914,2.480282572,2.333552793,2.333552793,0.953184807,0.941428501,2.01079436,1.721444008,1.249629723,1.249629723,1.082250302,0.950449026,0.310513972,0.239930612,3.827816466,3.346908079,2.645815032,2.508422564,2.405454588,2.405454588,1.053336623,1.043091076,1.977938475,1.660851284,1.134540686,1.134540686,1.007167592,0.875463655,0.150156259,0.075242244,3.880159401,3.46141569,2.771820215,2.704236987,2.704236987,2.638910267,1.517793787,1.446259996,1.891139127,1.484979849,0.798620231,0.76031856,0.76031856,0.666187822,0.396843083,0.473017856,3.83631002,3.365630997,2.665925019,2.529531816,2.457539916,2.457539916,1.134811365,1.109915352,1.957986757,1.622339173,1.058262671,1.058262671,0.960278991,0.828656609,0.041902902,0.035557662,3.907304368,3.519230963,2.838982085,2.838982085,2.838078588,2.706120674,1.721464227,1.641901296,1.86649785,1.431813264,0.738564276,0.631337262,0.631337262,0.604855658,0.594311107,0.656533452,3.83686469,3.349618626,2.735205432,2.560250613,2.545054156,2.545054156,1.239419255,1.149307729,1.972665668,1.597415238,0.959151073,0.959151073,0.878261043,0.781295632,0.075442523,0.138774239,0,0,0,5,1,3,0,0,1,0,0,0,0.102062073,0.051031036,0,0,0,0.032075015,0.016037507,1.510362971,0.288675135,0.433012702,0.144337567,1.333333333,0.25,0.25,0.083333333,1.861881719,2.103152481,2.150556853,1.212250449,1.160683603,0.974833632,7.612884175,4.605171716,4.70095927,2.829916587,1.968614081,1.369082439,0.535074775,0.306186218,0.761288418,0.460517172,0.335782805,0.202136899,0.140615291,0.097791603,0.066884347,0.051031036,6.886751346,3.660683603,3.616025404,1.639814472,0.938152853,0.53668078,0.198741682,0.096225045,0.688675135,0.36606836,0.258287529,0.117129605,0.067010918,0.038334341,0.02484271,0.016037507,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.9841,45.142,40.42054828,58.46993254,80.84109655,8.084109655,40.42054828,0.278590457,0.027859046,-1.278012472,37.98302013,3.798302013,3.637139221,78,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,3,0,0,5,0,0,0,0,0,0,0,0,3,0,0,0,0,5,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.95013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.978611111,0,0.857916667,0,0,1.978611111,0,0,0,0,0,0,0,0,6.673611111,0,0,0,0,10.55199074,0,0,0,0,1.398148148,0,0.292916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.398148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375347222,0,0.285972222,0,0,0.375347222,0,0,0,0,0,0,0,0,2.224537037,0,0,0,0,2.050833333,0,0,0,0,1.398148148,0,0.292916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.419166667,0,0.285972222,0,0,0.419166667,0,0,0,0,0,0,0,0,2.224537037,0,0,0,0,2.166666667,0,0,0,0,1.398148148,0,0.292916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.91666667,1.891666667,0.419166667,2.224537037,0.104166667,0.292916667,6.389439444,0.957083333,0.224537037,2.451203704,0.957083333,0.224537037,2.451203704,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.3,0.1,0.1,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.4465,0.74465,12.42563,4.97913,0.49791,2.66428,0.26643,4.60517,1.94089,0.19409,0.30883,0.03088,0.39483,0.03948,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.230650273,2.432931647,2.833333333,3.031453646,2.833333333,23.51685016,53.53560655,58.39035953,68,72.7548875,68,0.213713581,0.486514398,0.530632834,0.617962161,0.661173051,0.617962161,3.605093744,2.354312228,2.152030854,1.751629167,1.553508855,1.751629167,0.206076118,0.469127876,0.511669655,0.595878101,0.637544767,0.595878101,6.772325919,15.75249458,18.17987107,20.76117905,20.96084966,18.58340591,37.92632204,30.31952535,26.51052282,22.56441094,22.01253125,25.32380937,8.1,2.93877551,2.285714286,4,6,3,2.56,1.28,1.5,4.02369228,1.5,3,6.083643419,3.041821709,1.850535862,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.184,0.171,0.474,0.643,4.505,14,14,14,14,8,6,0,0,0,90,2.63905733,3.157000421,3.548179572,3.944006051,4.342993404,3.840795496,3.840795496,0,0,0,5.696883733,3.299305556,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,5,0.666666667,3,1.333333333,0.6875,0.248888889,0.1875,0,0,0,0,0,0.3,0.095238095,0.0625,0.035555556,0.0625,0,0,0,0,0,0.555793651,23.37727465,34.54807559,46.75454929,4.675454929,23.37727465,0.032427167,0.003242717,-3.428758735,56.28586604,5.628586604,4.030443456,0,150.3504702,4.321928095,3.891820298,4.65396035,5.509388337,6.300785795,7.153833802,7.954723334,8.804925263,9.609988595,10.45826307,84.33768885,3.044522438,0,4.343805422,0,5.843544417,0,7.419979924,0,9.031333316,9.257128533,134.1095504,5.587897935,19.29949945,1.929949945,0,0,0,114,11,3.854,48,1.236512656,2.163579757,3.017039332,3.631564835,4.385138938,5.439742824,6.224299214,0,0,0,92.91185031,128.2228326,119.9043185,85.33572729,76.38277317,29.42691151,6.324286356,0,0,0,323.9803594,463.9994136,530.5052347,423.5071962,467.9632868,349.3491661,193.474526,0,0,0,9.050443239,15.58351653,21.67504464,25.41476129,30.72202289,37.40687399,41.81773019,0,0,0,2.364973853,3.495603645,4.320802798,3.746439119,4.358514005,3.860044284,2.767403754,0,0,0,173.8105839,322.5613406,450.7295741,593.8576646,712.7308269,937.3899542,1150.982796,0,0,0,3.172198876,4.798039684,6.628770119,6.38604629,7.748985559,7.594619115,6.224299214,0,0,0,0.486961494,0.724918253,0.90751501,0.800572679,0.93775659,0.853540643,0.637368239,0,0,0,268.4510557,140.566157,10.43332968,81.76649379,-42.81451519,-4.824606727,186.684562,183.3806722,15.25793641,0.766526566,0.401368113,0.029790996,0.233473434,-0.122251199,-0.013776028,94.01627091,49.22873506,3.653935154,28.63606109,-14.9943946,-1.689661945,0.118494841,0.117912504,1.475819255,1.594521369,350.2175495,0,1,0,726.8842238,26.96079049,8.991284665,863.5642905,29.38646441,9.522805011,1311.356274,36.21265351,10.94561663,1.60706476,1.60706476,576.4648566,491.5977576,193.0437467,1.172635244,2.986187672,2.546561419,4.217577998,3.785524729,6.668902549,0.76168511,4.313020202,4.901504018,4.951383489,15.51913342,3.941262212,6.928674604,8.601558586,6.354044017,5.436797567,7.020040549,4.262128814,2.597706692,6.85E-05,2.40E-30,1.89E-77,3.26E-146,1.19E-236,0,0,0,0,0,0,0,0,0,0,0,0,0,0.362071417,4.71949345,0.341577251,8.151651371,1.122454199,1.706385188,1.315663346,1.032566293,1.428488606,0.477069691,0.233553798,0.018295861,4.82E-07,1.69E-32,1.33E-79,2.29E-148,8.38E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,1.168544138,4.731656172,1.150744895,9.279146482,1.42825335,2.721594977,2.209102329,1.962072614,2.047165515,1.613887652,0.83573763,0.190656974,5.03E-06,1.76E-31,1.38E-78,2.39E-147,8.73E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.071145892,4.881520999,4.622550779,14.93495597,3.673328452,6.591008755,7.945466005,5.972824361,5.120833715,6.549176267,3.937626145,2.314509894,6.10E-05,2.14E-30,1.68E-77,2.90E-146,1.06E-236,0,0,0,0,0,0,0,0,0,0,0,0,0,1.722162424,4.747425403,1.745344914,10.1648871,1.718218661,3.433579577,2.998722063,2.646683193,2.531104805,2.453288121,1.314480358,0.414132424,1.09E-05,3.82E-31,3.01E-78,5.19E-147,1.90E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,5.208571964,4.985529826,6.221840683,17.83325631,5.041583932,8.199292661,11.26927612,7.828479731,6.686805568,8.843268836,5.552038706,3.788511073,9.99E-05,3.50E-30,2.75E-77,4.75E-146,1.74E-236,0,0,0,0,0,0,0,0,0,0,0,0,0,2.410643042,3.534666369,2.266910736,10.89242326,2.21471783,4.417246455,4.140326941,3.34125037,3.291456014,3.514330791,1.930909066,0.725940274,1.91E-05,6.70E-31,5.27E-78,9.10E-147,3.32E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,4.12366197,1.818929157,0.830846445,0.608798993,0.268538558,0.521431158,0.552809754,0.312358577,6.773437573,12.43802971,25.44335483,0.413198489,1.386599489,3.395668697,1.036027113,0.403251987,0.702317551,0.214278862,0.35359309,0.179466598,0.073588333,4.834947798,5.305094981,11.55868522,0.553476327,0.606648021,3.65423338,1.314100723,0.555124647,0.661584262,0.237912653,0.409484473,0.288667263,0.139450613,5.52345875,7.560075442,15.7492598,0.492376393,0.837602349,4.102208255,1.795858152,0.818245633,0.610782857,0.26738754,0.516020414,0.53888676,0.302956648,6.71631204,12.19305121,24.93736585,0.416174285,1.357863822,3.78146531,1.450929719,0.629855831,0.645053479,0.24750386,0.438491512,0.351869355,0.179520461,5.862250861,8.782294921,18.10033823,0.467580218,0.969881328,4.192195772,1.892629032,0.871099584,0.602679894,0.272088787,0.538904787,0.598473735,0.343355296,6.955924388,13.23475978,27.10222471,0.404019841,1.480733818,4.108327135,1.797316822,0.818540213,0.610977783,0.267291433,0.517560963,0.539762557,0.303174818,6.72418417,12.21797253,24.98622936,0.416466674,1.360498337 +UMLS0028,L,tert-butylbenzene,CC(C)(C)C1=CC=CC=C1,7366,Sandia from ind. API report,Sandia,,C10H14,PubChem,,2.2,0,1.7807,3.17089249,44.0035,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1823.036387,1623.322017,1039.238765,522.71285,110.065536,6.096384,0,4184.657049,5188.491512,7025.184097,7105.641586,5452.256084,3409.632809,1321.981609,186.5024666,0,148.486212,153.276228,258.491468,320.107716,316.42034,250.693832,144.281088,40.310784,0,30.43545486,38.46263172,54.50291932,58.49838111,48.45230132,32.73540406,14.68832224,2.667677429,0,3360.161029,2978.619777,5413.572236,6971.511966,7235.800254,5968.477003,3628.909858,1109.505912,0,44.55555556,53.55555556,77.66666667,90.66666667,82,59.33333333,29,6,0,62.40808843,68.74581643,50.63989964,36.0738226,23.09419478,14.51980139,5.241216,1.016064,0,199.2693833,247.0710244,195.1440027,157.9031463,121.1612463,94.71202247,62.95150517,31.08374443,0,7.070772,7.298868,7.180318556,7.1135048,7.031563111,6.963717556,6.870528,6.718464,0,1.449307374,1.831553891,1.513969981,1.299964025,1.076717807,0.909316779,0.699443916,0.444612905,0,160.0076681,141.839037,150.3770065,154.9224881,160.7955612,165.7910279,172.8052313,184.917652,0,2.121693122,2.55026455,2.157407407,2.014814815,1.822222222,1.648148148,1.380952381,1,0,0.051174327,-0.004191973,-0.009797429,-0.010107486,-0.015183945,0.001362904,0.003606133,0.008724633,0,622.6251891,3.91E-13,4.941469755,-192.7173204,-210.0124646,-98.8293951,51.88543243,133.4196834,0,1157.798126,-2.84E-14,9.188874018,-358.3660867,-390.5271458,-183.7774804,96.48317719,248.0995985,0,0.121968,1.88E-15,9.68E-04,-0.037752,-0.04114,-0.01936,0.010164,0.026136,0,5.175896322,1.02E-14,0.041078542,-1.602063147,-1.745838045,-0.821570845,0.431324694,1.10912064,0,28.11555097,4.40E-14,0.223139293,-8.702432443,-9.48341997,-4.462785868,2.342962581,6.024760922,0,4.507936508,-0.761904762,0.859410431,-0.739229025,-1.580498866,-0.902494331,-1.44E-15,0.870748299,0,0.002436873,-2.00E-04,-2.72E-04,-2.25E-04,-3.37E-04,3.79E-05,1.72E-04,0.001454105,0,29.64881853,1.86E-14,0.137263049,-4.282607121,-4.666943658,-2.745260975,2.470734878,22.2366139,0,55.13324411,-1.35E-15,0.2552465,-7.963690816,-8.678381017,-5.10493001,4.594437009,41.34993308,0,0.005808,8.94E-17,2.69E-05,-8.39E-04,-9.14E-04,-5.38E-04,4.84E-04,0.004356,0,0.246471253,4.84E-16,0.001141071,-0.035601403,-0.038796401,-0.022821412,0.020539271,0.18485344,0,1.33883576,2.09E-15,0.006198314,-0.193387388,-0.210742666,-0.123966274,0.111569647,1.00412682,0,0.214663643,-0.036281179,0.023872512,-0.016427312,-0.035122197,-0.025069287,-6.87E-17,0.145124717,0,-0.081915544,-0.111680355,-0.092171743,-0.138464762,0.015535664,0.070467622,0.596709655,0,6.28E-16,0.00462963,-0.144444444,-0.157407407,-0.092592593,0.083333333,0.75,0,-2.45E-17,0.00462963,-0.144444444,-0.157407407,-0.092592593,0.083333333,0.75,0,1.54E-14,0.00462963,-0.144444444,-0.157407407,-0.092592593,0.083333333,0.75,0,1.96E-15,0.00462963,-0.144444444,-0.157407407,-0.092592593,0.083333333,0.75,0,1.56E-15,0.00462963,-0.144444444,-0.157407407,-0.092592593,0.083333333,0.75,0,-0.169014085,0.11120892,-0.076525822,-0.163615023,-0.116784038,-3.20E-16,0.676056338,0,1.134820555,0.990588833,1.065844153,1.063182194,0.978397925,0.846045967,0.28534903,0,1.111111111,1.026234568,1.12345679,1.080246914,0.972222222,0.740740741,0,0,1.111111111,1.026234568,1.12345679,1.080246914,0.972222222,0.740740741,0,0,1.111111111,1.026234568,1.12345679,1.080246914,0.972222222,0.740740741,0,0,1.111111111,1.026234568,1.12345679,1.080246914,0.972222222,0.740740741,0,0,1.111111111,1.026234568,1.12345679,1.080246914,0.972222222,0.740740741,0,0,1.302816901,0.821596244,1.024256651,1.139280125,1.054381847,0.845070423,0,0,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,40.45136923,19.91583039,30.72690265,40.39766553,4.488629503,19.9158304,-0.161111111,0.370015917,0.04111288,-0.894788329,35.86776469,3.985307188,3.221855075,0,11.85,12.15009716,-0.20991693,0.090203616,6.07534375,8.758381125,9,21,18,15,3,3,0,0,0,6,13.118484,3.794979351,3.215828339,2.619181914,2.470833146,2.333552793,1.260641077,0.941428501,0.729217022,1.994710453,1.673106271,1.249629723,1.082250302,0.969383414,0.464978854,0.310513972,0.230270252,3.806876826,3.245226722,2.645815032,2.501835524,2.405454588,1.356365801,1.053336623,0.860003957,1.961466708,1.605357719,1.134540686,1.007167592,0.891855888,0.318671338,0.150156259,0.061869484,3.861289558,3.37839396,2.771820215,2.704236987,2.6430235,1.756172129,1.517793787,1.383146172,1.872633866,1.405550007,0.798620231,0.76031856,0.672110206,0.169275876,0.396843083,0.52344722,3.815743304,3.267124209,2.665925019,2.524945597,2.457539916,1.426031146,1.134811365,0.953928232,1.941179501,1.562024883,1.058262671,0.960278991,0.84316282,0.220705965,0.041902902,0.052494885,3.889291755,3.444858672,2.838982085,2.838078588,2.714479928,1.934748586,1.721464227,1.604929216,1.847140569,1.34415258,0.738564276,0.631337262,0.606526415,0.341130169,0.594311107,0.740644743,3.827769307,3.253330133,2.736627811,2.560684849,2.546278942,1.438457997,1.240457652,1.057756794,1.941032174,1.538234426,0.958043648,0.876967229,0.792725102,0.168568392,0.076352355,0.172031066,0,0,0,5,1,2,0,1,0,0,0,0,0.102062073,0.058925565,0,0,0,0.032075015,0.018518519,0.5,0,0.166666667,0,0.384900179,0,0.096225045,0,1.040440115,1.054737854,1.040440115,0.636894534,0.510897357,0.424596356,6.690234444,4.304530453,3.642107032,2.592638956,1.800833459,1.250443623,0.451184464,0.23570226,0.743359383,0.478281161,0.331100639,0.216053246,0.150069455,0.104203635,0.075197411,0.058925565,5.964101615,3.354059275,2.565384141,1.466239158,0.837939098,0.478822342,0.165337097,0.074074074,0.662677957,0.372673253,0.23321674,0.122186597,0.069828258,0.039901862,0.027556183,0.018518519,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,2.81,40.531,36.08872406,51.75280153,72.17744812,8.019716458,36.08872406,0.19041988,0.021157764,-1.492671377,35.89962077,3.988846752,3.222654059,69,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,3,0,0,5,0,0,0,0,0,0,0,0,2,0,0,0,0,5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.93407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.036805556,0,0.93125,0,0,2.036805556,0,0,0,0,0,0,0,0,4.407407407,0,0,0,0,10.51972222,0.658518519,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.390972222,0,0.285972222,0,0,0.390972222,0,0,0,0,0,0,0,0,2.203703704,0,0,0,0,2.0475,0.658518519,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.157407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.426111111,0,0.359305556,0,0,0.426111111,0,0,0,0,0,0,0,0,2.203703704,0,0,0,0,2.157407407,0.658518519,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17,1.888888889,0.426111111,2.203703704,0.131944444,0.658518519,5.612137685,0.674814815,0.203703704,1.854259259,0.674814815,0.203703704,1.854259259,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.22222,0.22222,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.44402,0.60489,9.97476,4.53073,0.50341,2.34821,0.26091,4.30452,1.95631,0.21737,0.10948,0.01216,0.19548,0.02172,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.255614308,2.684017281,3.141619208,3.368042423,3.141619208,20.68979086,47.36790048,56.3643629,65.97400337,70.72889087,65.97400337,0.224307135,0.513536271,0.611070882,0.715253226,0.766803056,0.715253226,3.407089287,2.136703114,1.708300142,1.250698215,1.024275,1.250698215,0.214882485,0.491959162,0.585395689,0.685200633,0.734584508,0.685200633,6.75154531,15.84138577,18.81429787,21.76436413,21.99255912,19.27548055,33.82580122,27.3383201,23.25490662,19.18539608,18.60971788,22.06378703,7.111111111,3.239669421,2,3,6,3,2.45,1.1391,0.5,2.68246152,2.828427125,0,6.083643419,4.745102806,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.151,0.144,0.514,0.649,4.19,11,12,12,12,6,4,0,0,0,75,2.564949357,3.020424886,3.457892725,3.852803646,4.251170232,3.595598464,3.446011397,0,0,0,5.534870605,3.365,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,3,0.333333333,0,3,5,0.666666667,1.5,0.888888889,0.4375,0.191111111,0.125,0,0,0,0,0,0.166666667,0.080808081,0.048611111,0.038222222,0.0625,0,0,0,0,0,0.396808081,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,0,133.0544855,4.169925001,3.713572067,4.465908119,5.252273428,6.02827852,6.816735881,7.598399329,8.386400901,9.169830829,9.957265258,79.38866433,2.944438979,0,4.143134726,0,5.556828062,0,7.055312843,0,8.590257762,8.836955157,120.0939004,5.718757161,17.52861439,1.947623821,0,0,0,88,9,3.442,40,1.234633511,2.165595806,2.983279347,3.728956613,4.441743034,5.453257175,6.221758101,0,0,0,94.43903682,119.629923,113.1596629,96.02638748,70.40193768,28.28779332,6.321704423,0,0,0,327.3861275,449.1250406,489.136045,478.3676264,447.7327491,341.0739967,193.3955387,0,0,0,9.042027763,15.60196379,21.2715503,26.27358154,31.03335007,37.4561784,41.80065782,0,0,0,2.382529912,3.434617978,3.995250006,4.171856971,4.235013524,3.796521277,2.766273943,0,0,0,173.2140676,322.0102326,458.4498113,595.8781709,728.4394239,943.1939187,1150.5129,0,0,0,3.230802684,4.832721108,6.137552208,6.955271635,7.585330914,7.504189084,6.221758101,0,0,0,0.490292779,0.71399969,0.840509935,0.888245297,0.913729154,0.840621765,0.63710803,0,0,0,256.9475906,124.6147701,10.47614321,79.50219089,-38.55707391,-4.713928236,177.4453998,163.1718441,15.19007145,0.763702653,0.370381486,0.031137316,0.236297347,-0.114599789,-0.014010793,86.44996074,41.92661219,3.524696096,26.74849476,-12.97251909,-1.586000125,0.127917102,0.12730695,1.593170819,1.72156171,336.4497815,0,1,0,664.8026547,25.78376727,8.727655225,782.1086491,27.96620548,9.213451688,1129.49505,33.6079611,10.41425268,1.805695877,1.805695877,502.7228234,402.7110761,147.8383833,1.248346155,3.400489185,2.723995401,4.030673812,3.785524729,6.66215613,0.759902948,3.755219095,3.952947272,4.388315065,10.82161521,4.574289234,4.99852406,5.171874534,5.320057409,3.837949899,5.215262055,2.610180677,1.506570157,3.87E-05,9.57E-31,4.65E-78,4.44E-147,8.32E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0.315259036,3.77101797,0.334370755,5.054835437,0.974736133,1.353166965,1.020806147,0.91731173,0.897453671,0.342837866,0.15213095,0.010610897,2.73E-07,6.74E-33,3.27E-80,3.12E-149,5.86E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,1.017428063,3.783175183,1.101092723,5.721823913,1.320026181,2.031311455,1.64849649,1.650915924,1.317329081,1.169217139,0.535195005,0.110573726,2.84E-06,7.02E-32,3.41E-79,3.26E-148,6.11E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,3.544627149,3.932973147,4.118635497,10.28810849,4.216150725,4.75202677,4.840050854,4.992121078,3.594135604,4.857476968,2.417716891,1.342326887,3.45E-05,8.52E-31,4.14E-78,3.95E-147,7.41E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,1.499445135,3.798937343,1.645468523,6.331160001,1.672694369,2.516418488,2.144599286,2.203530862,1.659107826,1.786438621,0.833393919,0.240180908,6.17E-06,1.53E-31,7.41E-79,7.07E-148,1.33E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.534946345,4.036935697,5.411228759,13.00185896,6.056749742,5.937683334,6.488688788,6.600570706,4.813123721,6.607535578,3.370456835,2.197190985,5.65E-05,1.40E-30,6.78E-78,6.47E-147,1.21E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,2.052948038,3.007962276,2.169594293,6.694594516,2.251300059,3.210094238,2.867500263,2.767303992,2.194855449,2.576022586,1.219167492,0.422256688,1.09E-05,2.68E-31,1.30E-78,1.24E-147,2.33E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.201391824,1.817859552,0.483541124,0.646090403,0.279550601,0.564426063,0.573958078,0.327010915,6.5027925,10.54809584,20.74395314,0.469135604,1.465395056,3.280607491,1.031995626,0.200532498,0.726902041,0.228664883,0.344300516,0.184909211,0.055843114,4.513135614,4.250389655,9.442442595,0.590353062,0.585052841,3.602728895,1.307015856,0.299561155,0.691594804,0.250900193,0.415153313,0.296699129,0.125027984,5.209305907,6.179592601,12.7994792,0.537392205,0.836880426,4.173633807,1.794181195,0.475012209,0.647795396,0.278477311,0.55699891,0.559110908,0.315534061,6.442827211,10.32304028,20.32288018,0.471693094,1.431643879,3.76320271,1.443984599,0.348885291,0.677313452,0.25989304,0.452921992,0.362168862,0.169802397,5.556072599,7.250717812,14.70263544,0.515970177,0.984893251,4.290324481,1.893716656,0.510865551,0.640834097,0.282859305,0.588552919,0.622827052,0.365164119,6.694906688,11.28387251,22.12938756,0.461251145,1.57654409,4.178567342,1.795652595,0.474635957,0.647954833,0.278445142,0.558315455,0.560036332,0.315085661,6.448855894,10.33883489,20.34900554,0.471932249,1.433437448 +UMLS0029,L,isopropylbenzene,CC(C)C1=CC=CC=C1,7406,"Sandia values from idependent api report and Co-optima database(source from the api report), averaged but because our independent api report matches UML values exactly I think we should go with UML values","Sandia, UML",[1],C9H12,PubChem,,2.8,0,2.2271,4.95997441,48.2855,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2126.719909,1982.460659,1272.316758,697.287531,421.79189,148.333248,18.289152,4670.34144,5841.481647,8080.20575,8578.927599,6803.264279,4249.12541,2367.4049,1470.09063,559.5073998,169.463656,175.052008,300.845524,364.457612,400.658136,312.780396,166.87892,105.566976,120.932352,34.11358067,43.47862034,62.52810234,69.86822116,60.81446311,40.41907011,22.04859796,14.69637043,8.003032287,3856.790689,3411.659229,6375.036452,7774.00066,9174.123052,7511.022367,4003.826014,2392.223529,3328.517736,49.33333333,59.55555556,87.66666667,107.4444444,103.2222222,70,36,27,18,60.70275442,67.17251842,50.63618831,38.87177763,22.32134663,15.49527847,17.57466208,9.8888832,1.016064,194.59756,243.3950686,192.3858512,168.2142666,119.3555137,94.42500911,98.64187085,98.00604198,31.08374443,7.060985667,7.293833667,7.162988667,7.146227686,7.029090105,6.950675467,6.953288333,7.0377984,6.718464,1.421399194,1.811609181,1.488764342,1.369965121,1.066920405,0.898201558,0.918691582,0.979758029,0.444612905,160.6996121,142.1524679,151.7865822,152.4313855,160.9495272,166.9116082,166.8260839,159.4815686,184.917652,2.055555556,2.481481481,2.087301587,2.106753813,1.810916179,1.555555556,1.5,1.8,1,0.049285068,-0.003402752,2.96E-04,-0.019867303,-0.022847155,0.010028907,0.011904254,-0.012516513,0.011762161,706.2183858,-1.07E-13,136.1992601,-320.3204821,-295.0983969,-2.522208521,40.35533633,-290.0539799,378.3312781,1313.243245,1.85E-13,253.2683401,-595.6496147,-548.7480703,-4.690154447,75.04247115,-539.3677614,703.523167,0.138343333,2.23E-15,0.0266805,-0.062748583,-0.05780775,-4.94E-04,0.007905333,-0.056819583,0.0741125,5.870808328,1.37E-14,1.13222732,-2.66283092,-2.453159194,-0.020967173,0.335474762,-2.411224849,3.14507589,31.89032402,-1.08E-13,6.150276775,-14.46453982,-13.32559968,-0.113894014,1.822304229,-13.09781165,17.08410215,4.87037037,-1.240740741,2.143518519,-1.331018519,-2.604166667,-0.891203704,1.518518519,-2.377314815,2.347222222,0.002053545,-1.42E-04,7.04E-06,-3.90E-04,-4.01E-04,2.23E-04,4.96E-04,-8.34E-04,6.53E-04,29.42576608,-4.44E-15,3.242839527,-6.280793768,-5.177164859,-0.056049078,1.681472347,-19.33693199,21.01840434,54.71846854,7.70E-15,6.030198574,-11.67940421,-9.627159127,-0.104225654,3.126769631,-35.95785076,39.08462039,0.005764306,9.28E-17,6.35E-04,-0.001230364,-0.001014171,-1.10E-05,3.29E-04,-0.003787972,0.004117361,0.244617014,5.71E-16,0.026957793,-0.052212371,-0.043037881,-4.66E-04,0.013978115,-0.160748323,0.174726438,1.328763501,-4.51E-15,0.146435161,-0.283618428,-0.23378245,-0.002530978,0.075929343,-0.873187443,0.949116786,0.202932099,-0.051697531,0.051036155,-0.026098402,-0.045687135,-0.019804527,0.063271605,-0.158487654,0.130401235,-0.069042259,0.00343039,-0.189698818,-0.195188014,0.108526793,0.241538759,-0.406338507,0.318207557,-1.51E-16,0.110204082,-0.213445378,-0.17593985,-0.001904762,0.057142857,-0.657142857,0.714285714,1.41E-16,0.110204082,-0.213445378,-0.17593985,-0.001904762,0.057142857,-0.657142857,0.714285714,1.61E-14,0.110204082,-0.213445378,-0.17593985,-0.001904762,0.057142857,-0.657142857,0.714285714,2.34E-15,0.110204082,-0.213445378,-0.17593985,-0.001904762,0.057142857,-0.657142857,0.714285714,-3.40E-15,0.110204082,-0.213445378,-0.17593985,-0.001904762,0.057142857,-0.657142857,0.714285714,-0.254752852,0.251493753,-0.128606576,-0.225135081,-0.097591888,0.311787072,-0.780988593,0.642585551,1.158498124,0.913373931,1.259193342,1.235210956,0.979917383,0.623083053,1.072253381,0.004132155,1.15,0.93877551,1.23697479,1.106766917,0.876190476,0.821428571,1.577142857,0,1.15,0.93877551,1.23697479,1.106766917,0.876190476,0.821428571,1.577142857,0,1.15,0.93877551,1.23697479,1.106766917,0.876190476,0.821428571,1.577142857,0,1.15,0.93877551,1.23697479,1.106766917,0.876190476,0.821428571,1.577142857,0,1.15,0.93877551,1.23697479,1.106766917,0.876190476,0.821428571,1.577142857,0,1.442965779,0.662140141,1.183180497,1.261156694,0.967807351,0.393536122,1.888973384,0,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,48.20642229,23.94987781,36.25686402,48.10242229,4.810242229,23.94987781,-0.173333333,0.327350035,0.032735004,-1.116725237,62.94720677,6.294720677,4.142296387,0,11.89,12.11015511,-0.1516392,0.071609308,5.925361354,8.915569697,10,24,21,18,4,3,0,0,0,6,15.304898,3.823473119,3.269532186,2.72417595,2.619181914,2.333552793,2.03423475,1.208656838,0.941428501,2.010155309,1.706442598,1.344886195,1.249629723,1.082250302,0.75545327,0.431896806,0.310513972,3.834368761,3.296501826,2.763929326,2.645815032,2.405454588,2.09041174,1.307107336,1.053336623,1.978530921,1.639567799,1.254436901,1.134540686,1.007167592,0.659785591,0.284416005,0.150156259,3.884550649,3.420774242,2.945651656,2.771820215,2.704236987,2.321654126,1.715238132,1.517793787,1.895088756,1.446511978,0.982853538,0.798620231,0.76031856,0.364891188,0.209063308,0.396843083,3.842505949,3.316703901,2.793650836,2.665925019,2.457539916,2.130959572,1.3785471,1.134811365,1.959333563,1.597168741,1.196073579,1.058262671,0.960278991,0.598058675,0.185560998,0.041902902,3.91061153,3.483988683,3.036663921,2.838982085,2.838078588,2.425693774,1.896403367,1.721464227,1.871444508,1.388505361,0.898762531,0.738564276,0.631337262,0.265461596,0.383723076,0.594311107,3.846903513,3.293825076,2.846399753,2.748161606,2.556211565,2.181511415,1.39678778,1.248880791,1.958493972,1.587802241,1.116493412,0.949068708,0.866482806,0.545489769,0.122074907,0.083726123,0,0,0,4,2,3,0,1,0,0,0,0,0.083333333,0.131445856,0,0,0,0.027777778,0.043815285,0.788675135,0,0.166666667,0,0.551566846,0,0.096225045,0,1.448688405,1.404193779,1.498266827,0.829344624,0.654083483,0.604819519,7.560477932,4.698377303,4.263968845,3.003322558,1.952529745,1.449135293,0.919957418,0.19245009,0.756047793,0.46983773,0.327997603,0.21452304,0.13946641,0.090570956,0.076663118,0.048112522,6.886751346,3.764742878,3.065384141,1.744016936,0.951353092,0.607122402,0.391191771,0.06415003,0.688675135,0.376474288,0.23579878,0.124572638,0.067953792,0.03794515,0.032599314,0.016037507,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.83802,44.171,41.38554761,57.2454538,82.77109522,8.277109522,41.38554761,0.164516426,0.016451643,-1.804744859,43.26675075,4.326675075,3.767384459,88,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,4,0,0,0,0,0,0,0,0,3,0,0,0,0,4,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.47222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.523888889,0,0.93125,0,0,1.523888889,0,0,0,0,0,0,0,0,6.541111111,0,0,0,0,8.712962963,0.653333333,0,0,0,2.759259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.337407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375347222,0,0.285972222,0,0,0.375347222,0,0,0,0,0,0,0,0,2.115185185,0,0,0,0,2.162037037,0.653333333,0,0,0,1.337407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.194444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.386597222,0,0.359305556,0,0,0.386597222,0,0,0,0,0,0,0,0,2.212962963,0,0,0,0,2.194444444,0.653333333,0,0,0,1.421851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.66666667,1.866666667,0.386597222,2.212962963,0.121944444,0.653333333,6.260454444,0.68,0.212962963,2.508148148,0.68,0.212962963,2.508148148,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.3,0.3,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.98832,0.69883,11.95289,4.96457,0.49646,2.70145,0.27014,4.69836,1.99691,0.19969,0.21564,0.02156,0.30164,0.03016,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.367492461,2.990601563,3.240601563,3.272055209,3.188721876,23.51685016,56.81981907,71.77443751,77.77443751,78.52932501,76.52932501,0.213713581,0.516360267,0.652263036,0.706789109,0.713649285,0.695473927,3.605093744,2.21747004,1.594360938,1.344360938,1.312907292,1.396240625,0.206076118,0.497907145,0.628953169,0.681530649,0.688145662,0.670619836,6.772325919,17.88939319,19.43339272,22.43339272,20.63306334,20.54907792,37.92632204,26.78820795,24.54912344,20.08671719,22.1198,22.33521355,8.1,3.408284024,2.285714286,2,6,0,2.56,1.28,0.721124785,3.888322594,3.867776753,0,3.301927249,7.065551058,0,1.310370697,0,0,0,0,0,0,0,0,0,0,0,0.003,0.147,0.132,0.49,0.657,4.666,13,14,14,16,12,4,0,0,0,93,2.63905733,3.157000421,3.590439381,3.986666548,4.466626252,4.1763085,3.446011397,0,0,0,5.7531677,3.378360215,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,6,1,2.5,1.333333333,0.5,0.382222222,0.236111111,0,0,0,0,0,0.25,0.102564103,0.045454545,0.063703704,0.078703704,0,0,0,0,0,0.540426055,24.79457074,37.39674508,49.58914148,4.958914148,24.79457074,0.015455772,0.001545577,-4.169772747,91.09660652,9.109660652,4.511920553,0,150.3504702,4.321928095,3.850147602,4.615120517,5.424950017,6.216606101,7.027314514,7.824445931,8.635331719,9.43356392,10.24448525,83.27196557,3.044522438,0,4.290459441,0,5.733341277,0,7.25629724,0,8.815963561,9.055672892,134.1095504,5.587897935,19.38570823,1.938570823,0,0,0,120,11,3.834,46,1.235929323,2.155114745,3.005584582,3.7271005,4.548111905,5.595663245,6.669378682,7.027030183,0,0,92.76161773,120.3296862,124.7880974,93.20469372,77.66654732,107.350237,66.21312854,7.139912396,0,0,323.5789178,444.8255627,527.7268846,476.0769814,455.3360163,576.0966087,655.6036105,218.4264103,0,0,9.045833162,15.49833667,21.52645001,26.27952167,31.69263058,38.95649931,46.94711524,47.21084931,0,0,2.362509317,3.387415228,4.250943409,4.175138544,4.259345903,5.283090959,6.550084093,3.124308302,0,0,173.7497847,322.8172038,454.738142,593.8649743,753.0492902,930.1286139,1062.896412,1299.421922,0,0,3.145468642,4.686431591,6.477988407,6.974434916,7.267088984,8.563075774,12.02836203,7.027030183,0,0,0.486472119,0.703875269,0.891754348,0.889512086,0.918300826,1.13624445,1.420340486,0.719567891,0,0,297.2982067,150.7370022,10.56391736,97.86820334,-49.62142136,-5.052360291,199.4300033,200.3584236,15.61627765,0.752336735,0.381451961,0.026732832,0.247663265,-0.12557095,-0.012785399,117.482265,59.56620002,4.174505298,38.67422657,-19.60871894,-1.996523078,0.122372365,0.115675334,1.377927834,1.087712147,395.16641,0,1,0,729.0594248,27.00110044,9.00024454,865.5271791,29.41984329,9.530014688,1280.84199,35.78885288,10.86005069,1.800381234,1.800381234,715.4922217,616.3925228,151.2657497,1.160773688,4.730034546,4.074898145,4.359371282,4.340761948,7.720528635,0.778611389,4.231371065,4.843393602,4.797889436,11.40981788,3.859301977,7.190473533,6.122310636,9.07644779,4.42338765,4.321434605,1.918199925,4.21250798,4.367577103,3.24974088,5.79E-04,4.31E-27,8.07E-72,3.02E-138,2.19E-226,0,0,0,0,0,0,0,0,0,0,0,0.355218465,4.769353178,0.356415754,6.981740852,0.496416354,1.010263736,1.367476253,1.474789668,1.108009213,0.340452457,0.087636402,0.441713072,0.36166201,0.022888193,4.08E-06,3.04E-29,5.69E-74,2.13E-140,1.54E-228,0,0,0,0,0,0,0,0,0,0,0,1.146422436,4.774301154,1.180379765,7.623341568,0.855337158,1.858271955,2.212985113,2.709768428,1.54256222,1.044401065,0.331162167,0.851357463,1.17070362,0.238512601,4.25E-05,3.17E-28,5.93E-73,2.22E-139,1.61E-227,0,0,0,0,0,0,0,0,0,0,0,3.994075281,4.83526477,4.496751913,11.04595379,3.537564272,6.665841374,5.786983047,8.499048223,4.134745028,4.03928329,1.760098003,3.854287001,4.119277392,2.895460619,5.16E-04,3.84E-27,7.19E-72,2.69E-138,1.95E-226,0,0,0,0,0,0,0,0,0,0,0,1.689559577,4.780716059,1.770541405,8.141652018,1.198971273,2.563181016,2.830531622,3.65157199,1.912779396,1.559901552,0.53697364,1.239473349,1.728654001,0.518081235,9.22E-05,6.88E-28,1.29E-72,4.82E-139,3.50E-227,0,0,0,0,0,0,0,0,0,0,0,5.109971111,4.87757414,5.946058798,12.862388,5.182107045,9.299044939,7.414109007,11.34150185,5.589381764,5.409757888,2.555850753,5.683464476,5.290394096,4.73944165,8.44E-04,6.29E-27,1.18E-71,4.41E-138,3.20E-226,0,0,0,0,0,0,0,0,0,0,0,2.375413794,3.919233551,2.321934724,8.664242836,1.741403933,3.606731084,3.803252205,4.826192735,2.399911705,2.160744513,0.693538864,1.842422472,2.488688994,0.932642482,1.66E-04,1.24E-27,2.32E-72,8.67E-139,6.29E-227,0,0,0,0,0,0,0,0,0,0,0,6.21280456,1.656985349,0.496589371,0.742591789,0.198052861,0.57223012,0.537395831,0.363705395,8.366379281,14.20258016,27.6811117,0.613887684,1.473331345,4.433847299,0.933659656,0.196853931,0.796829571,0.167792793,0.291438973,0.170491977,0.056796641,5.564360886,5.196319187,11.57559715,0.695244357,0.518727592,5.065684711,1.190576398,0.303318002,0.772257583,0.18150195,0.380421139,0.277335656,0.135238411,6.559579111,7.928721277,16.31763694,0.658386375,0.792995206,6.160379137,1.635670346,0.487756861,0.743665277,0.197453957,0.562613115,0.523652608,0.350841249,8.283806344,13.8789261,27.07754103,0.615497915,1.437106972,5.376594724,1.316993255,0.355703143,0.76271424,0.186826339,0.428553032,0.339403247,0.186189576,7.049291122,9.461869269,19.02987264,0.644071361,0.954145855,6.380277289,1.725075618,0.524804609,0.739300213,0.199889239,0.603497677,0.58249059,0.406355342,8.630157517,15.26018736,29.66658623,0.608950319,1.592343608,6.161976284,1.637762567,0.487597401,0.743541241,0.197622314,0.562907969,0.525002313,0.350685883,8.287336251,13.89498648,27.10308456,0.615311862,1.438596165 +UMLS0030,L,para-Cymene,CC1=CC=C(C=C1)C(C)C,7463,"""1-methyl-4-isopropylbenzene""","Sandia, UML",[1],C10H14,PubChem,,12.3,0,1.4428,2.08167184,37.0376,22.081516,0,0,20,8,12,0,8,0,0,0,0,0,0,0,0,0,1166.305736,1299.398024,1580.904369,1352.997247,718.453515,271.517065,43.433712,2.032128,0,3761.140147,4764.97461,6574.92927,6559.846865,4385.34741,2015.653849,561.7960601,62.16748886,0,140.945696,145.735712,258.444036,352.4551,306.860268,192.531556,68.382144,13.436928,0,27.64655486,35.67373172,52.49007075,56.70180285,41.31232001,20.81383108,6.452923264,0.88922581,0,3233.366673,2851.825421,5402.63841,7980.551713,7262.514506,4833.415022,1753.791207,369.835304,0,41.52777778,47.25,69.58333333,86.58333333,75.83333333,44,14,2,0,58.3152868,64.9699012,43.91401025,27.05994494,16.32848898,9.697038036,4.3433712,1.016064,0,188.0570074,238.2487305,182.6369242,131.1969373,99.66698658,71.98763746,56.17960601,31.08374443,0,7.0472848,7.2867856,7.179001,7.049102,6.974097,6.876127,6.8382144,6.718464,0,1.382327743,1.783686586,1.458057521,1.134036057,0.938916364,0.74335111,0.645292326,0.444612905,0,161.6683337,142.5912711,150.0732892,159.6110343,165.0571479,172.6219651,175.3791207,184.917652,0,2.076388889,2.3625,1.93287037,1.731666667,1.723484848,1.571428571,1.4,1,0,0.059665907,-0.006046119,-0.026354901,-0.002263706,-0.003989215,0.002108518,6.61E-04,0.006051822,0,581.1168432,3.77E-13,-198.5482548,-169.4924126,-140.4365704,130.7512897,48.4264036,38.74112288,0,1080.611585,-1.85E-13,-369.208958,-315.1783788,-261.1477996,243.1376065,90.05096538,72.0407723,0,0.1138368,1.81E-15,-0.03889424,-0.0332024,-0.02751056,0.02561328,0.0094864,0.00758912,0,4.830836567,6.05E-15,-1.650535827,-1.408993999,-1.16745217,1.086938228,0.402569714,0.322055771,0,26.2411809,7.06E-14,-8.965736809,-7.653677764,-6.341618719,5.904265704,2.186765075,1.74941206,0,5.526388889,-0.379166667,-2.016944444,-0.513194444,-0.373333333,0.485277778,-0.199305556,0.233472222,0,0.002983295,-3.02E-04,-7.32E-04,-4.53E-05,-9.07E-05,7.53E-05,6.61E-05,0.003025911,0,29.05584216,1.88E-14,-5.515229299,-3.389848252,-3.191740237,4.669688919,4.84264036,19.37056144,0,54.03057923,-9.24E-15,-10.25580439,-6.303567576,-5.935177263,8.683485947,9.005096538,36.02038615,0,0.00569184,9.06E-17,-0.001080396,-6.64E-04,-6.25E-04,9.15E-04,9.49E-04,0.00379456,0,0.241541828,3.03E-16,-0.045848217,-0.02817988,-0.026533004,0.038819222,0.040256971,0.161027886,0,1.312059045,3.53E-15,-0.249048245,-0.153073555,-0.144127698,0.210866632,0.218676508,0.87470603,0,0.276319444,-0.018958333,-0.056026235,-0.010263889,-0.008484848,0.017331349,-0.019930556,0.116736111,0,-0.10133289,-0.245393264,-0.015175876,-0.030390548,0.025241962,0.022144857,1.014284833,0,6.48E-16,-0.189814815,-0.116666667,-0.109848485,0.160714286,0.166666667,0.666666667,0,-1.71E-16,-0.189814815,-0.116666667,-0.109848485,0.160714286,0.166666667,0.666666667,0,1.59E-14,-0.189814815,-0.116666667,-0.109848485,0.160714286,0.166666667,0.666666667,0,1.25E-15,-0.189814815,-0.116666667,-0.109848485,0.160714286,0.166666667,0.666666667,0,2.69E-15,-0.189814815,-0.116666667,-0.109848485,0.160714286,0.166666667,0.666666667,0,-0.068610204,-0.202758929,-0.037145011,-0.030706665,0.062722148,-0.072128676,0.422467957,0,1.205810102,1.164891109,0.890317752,0.961711454,0.943254356,1.070101449,0.00219502,0,1.1875,1.264467593,1.06875,0.989583333,0.636160714,0.59375,0,0,1.1875,1.264467593,1.06875,0.989583333,0.636160714,0.59375,0,0,1.1875,1.264467593,1.06875,0.989583333,0.636160714,0.59375,0,0,1.1875,1.264467593,1.06875,0.989583333,0.636160714,0.59375,0,0,1.1875,1.264467593,1.06875,0.989583333,0.636160714,0.59375,0,0,1.255843177,0.957666639,0.807941694,1.127567456,1.07439055,1.031414928,0,0,31.11524086,14.9967573,23.08481968,31.11524086,3.889405108,14.99675877,1.42E-14,0.033847493,0.004230937,-2.708712267,63.94441117,7.993051396,3.326411304,31.11524086,14.9967573,23.08481968,31.11524086,3.889405108,14.99675877,1.42E-14,0.033847493,0.004230937,-2.708712267,63.94441117,7.993051396,3.326411304,31.11524086,14.9967573,23.08481968,31.11524086,3.889405108,14.99675877,1.42E-14,0.033847493,0.004230937,-2.708712267,63.94441117,7.993051396,3.326411304,31.11524086,14.9967573,23.08481968,31.11524086,3.889405108,14.99675877,1.42E-14,0.033847493,0.004230937,-2.708712267,63.94441117,7.993051396,3.326411304,31.11524086,14.9967573,23.08481968,31.11524086,3.889405108,14.99675877,1.42E-14,0.033847493,0.004230937,-2.708712267,63.94441117,7.993051396,3.326411304,31.11524086,14.9967573,23.08481968,31.11524086,3.889405108,14.99675877,1.42E-14,0.033847493,0.004230937,-2.708712267,63.94441117,7.993051396,3.326411304,45.50301444,20.7444968,32.52248752,45.37844847,5.672306059,20.74449681,-0.498263889,0.02170389,0.002712986,-3.064211013,51.98570419,6.498213024,3.160775009,0,11.9,12.10012615,-0.162179478,0.046440508,5.536277473,8.693130026,8,20,18,18,6,2,2,0,0,2,13.118484,3.679015909,3.157611942,2.70103417,2.496447331,1.423487734,1.307802683,0.825819994,0.715411956,1.98103934,1.553299992,1.301682789,1.126987185,0.609523166,0.521826739,0.286920988,0.253966958,3.69864067,3.18199023,2.741117067,2.538077935,1.518394426,1.405893885,0.95393575,0.857199501,1.935090005,1.491376703,1.215188481,1.0359309,0.466332156,0.375961041,0.12238371,0.085675254,3.785974887,3.293446743,2.919929174,2.725096874,1.913607912,1.81179333,1.462170881,1.401721248,1.803645769,1.316499227,0.955841378,0.762833406,0.012915108,0.113049281,0.447201108,0.503260648,3.713148609,3.20018282,2.770832658,2.569023332,1.58739747,1.477027072,1.045506611,0.957183717,1.906176876,1.452538739,1.159566996,0.977341432,0.370332347,0.278123574,0.01081737,0.028813008,3.829239225,3.350127247,3.007511761,2.817188315,2.089492867,1.991596949,1.677447203,1.626716298,1.763667527,1.2645633,0.874385103,0.677304845,0.182396442,0.286520677,0.657895583,0.724946792,3.701421539,3.405105604,2.726965649,2.591459732,1.632831716,1.568506348,1.151461463,1.062343049,1.963194329,1.322943397,1.177803034,0.861428495,0.297891024,0.169381454,0.110882983,0.156270393,0,0,1,3,0,0,3,1,0,0,0,0,0.102062073,0.072168784,0,0,0,0.068041382,0.03928371,0.204124145,0,0,0,0.166666667,0,0,0,0.49279928,0.594861352,0.49279928,0.331927305,0.343013034,0.244531073,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,5.137828202,3.207908119,2.280238966,1.642956339,1.031097165,0.642956339,0.15713484,0.055555556,0.642228525,0.400988515,0.253359885,0.164295634,0.103109717,0.064295634,0.03928371,0.027777778,11.25096682,19.32702112,18.35294118,18.56,12.79132695,151.6549198,0.562548341,0.966351056,0.917647059,0.928,0.639566347,7.582745988,2.38108,36.138,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,3,0,0,4,3,0,4,0,0,0,0,0,0,0,0,0,1,3,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.30537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0.948958333,0,0,1.270069444,0.983263889,0,1.329930556,0,0,0,0,0,0,0,0,0,3.750462963,3.764074074,0,6.554907407,0,0.763888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.059027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0.316319444,0,0,0.286805556,0.315902778,0,0.316319444,0,0,0,0,0,0,0,0,0,3.750462963,1.211805556,0,2.059027778,0,0.763888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.750462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0.316319444,0,0,0.333680556,0.333680556,0,0.380972222,0,0,0,0,0,0,0,0,0,3.750462963,1.305555556,0,2.25,0,0.763888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.83333333,1.854166667,0.380972222,3.750462963,0.286805556,0.763888889,5.166957778,0.569444444,0.750462963,2.610740741,0.569444444,0.750462963,2.610740741,4,0.5,0,0,0.46,0.7,0.43333,0.43333,0.7,0.02667,0.02667,0,0,0.71429,0,0,0.125,0.125,0,6,0.75,4,0.5,2,0.25,-2,-0.25,0,0,5.64851,0.70606,8.02289,2.37438,0.2968,2.85095,0.35637,3.93185,1.0809,0.13511,-0.01785,-0.00223,0.06815,0.00852,0.3,8,0,0,0,0,0,0,0.5,0.970950594,2.421127473,3.246439345,3.68418372,3.921928095,3.821928095,19.41901189,48.42254947,64.92878689,73.6836744,78.4385619,76.4385619,0.224656814,0.560196149,0.751155335,0.852439846,0.907448715,0.884310893,3.3509775,1.900800622,1.07548875,0.637744375,0.4,0.5,0.217729674,0.542922884,0.727993974,0.826155446,0.879468154,0.857043772,6.79089428,17.73048353,19.66147099,22.7159685,22.95557323,21.75557323,30.6871717,21.47656038,18.50674388,14.47790083,13.89455552,15.28771238,6.125,3.111111111,1.8,2,2,2,2.34,1.0412,0,2.00414513,0.5,0,7.732315986,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.134,0.144,0.378,0.496,3.727,9,10,10,10,4,2,0,0,0,61,2.397895273,2.564949357,2.772588722,2.890371758,3.091042453,2.564949357,2.197224577,0,0,0,4.644390899,1.68852459,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,1,0.125,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,0,129.2949596,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,108.0939004,5.404695019,15.69266546,1.961583183,0,0,0,64,7,3.605,34,1.280749009,2.281450827,3.081228069,3.871664742,4.61652788,5.896397514,6.679223504,0,0,0,96.9081344,111.6061702,90.22507573,71.03366664,50.24982516,25.42690499,6.78651855,0,0,0,337.1417183,446.1889489,426.3836898,407.1300173,359.2199492,329.8744806,207.6152764,0,0,0,9.376375108,16.4329184,21.78046047,27.04522399,31.85003568,40.31423201,44.87412266,0,0,0,2.458104447,3.497160368,3.637188018,3.761628578,3.630008953,3.79384242,2.969668964,0,0,0,179.8947276,338.658502,487.2889259,635.955461,788.6093288,1034.630595,1235.106328,0,0,0,3.095578824,4.519856975,5.49392052,6.844122256,7.64493227,8.27775053,6.679223504,0,0,0,0.506023317,0.729896801,0.771398633,0.809085685,0.793101234,0.844919823,0.683952487,0,0,0,272.9639536,133.9045536,11.67330698,83.33892637,-40.88254725,-7.321960137,189.6250272,174.7871008,18.99526712,0.76610089,0.375816647,0.032762314,0.23389911,-0.114740996,-0.02054982,97.25784279,47.71057808,4.159232897,29.69389948,-14.56656933,-2.608835484,0.116024283,0.208656493,2.656529099,4.862416296,356.30288,0,1,0,506.0291795,22.49509234,7.968780301,623.3351739,24.96668128,8.542281483,816.2124308,28.56943176,9.345468291,2.194856283,2.117278297,459.4814051,362.2262343,127.4223471,1.268492896,3.605971917,2.842721412,4.011451491,4.101031439,7.346168202,0.791297704,3.755255381,3.332840624,4.848962162,14.39556814,10.72733355,7.9963762,8.92151681,5.173402027,3.327225086,1.321264458,1.979510821,0.498781183,8.96E-06,0.09381578,2.72E-19,1.52E-58,1.64E-119,3.40E-202,1.36E-306,0,0,0,0,0,0,0,0,0,0,0,0.315296473,3.332713399,0.451471523,5.577776891,5.008351078,1.333746687,0.434455012,1.037581066,0.241956919,0.111029284,0.018238907,0.004744089,6.31E-08,6.61E-04,1.91E-21,1.07E-60,1.15E-121,2.39E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,1.017465423,3.332722253,1.247793565,6.80548632,5.862702885,2.550427212,1.580712945,1.416596189,0.715117375,0.358044424,0.156324848,0.039770733,6.58E-07,0.006885547,1.99E-20,1.11E-59,1.20E-120,2.49E-203,9.99E-308,0,0,0,0,0,0,0,0,0,0,0,3.544663561,3.332826781,4.543914511,13.6533275,10.26648741,7.537798516,8.19459077,4.755639766,3.082944261,1.247167773,1.766667277,0.445252761,7.99E-06,0.083588171,2.42E-19,1.35E-58,1.46E-119,3.03E-202,1.21E-306,0,0,0,0,0,0,0,0,0,0,0,1.499482395,3.332733413,1.824521615,7.818165337,6.542129084,3.428190234,2.5416179,1.81490395,1.086427515,0.527618411,0.328984408,0.083357814,1.43E-06,0.014956329,4.33E-20,2.42E-59,2.61E-120,5.42E-203,2.17E-307,0,0,0,0,0,0,0,0,0,0,0,4.5349821,3.332898756,6.019105877,17.37358588,12.55936972,9.751844773,11.84843186,6.907044819,4.294592879,1.59561903,2.872914708,0.723409868,1.31E-05,0.136821499,3.96E-19,2.21E-58,2.38E-119,4.95E-202,1.99E-306,0,0,0,0,0,0,0,0,0,0,0,2.096995076,2.502726556,2.656418274,7.849426833,6.846616605,4.355824418,3.595608133,2.479273396,1.775488534,0.950800634,0.589567565,0.153222222,2.61E-06,0.027288418,7.90E-20,4.41E-59,4.76E-120,9.88E-203,3.96E-307,0,0,0,0,0,0,0,0,0,0,0,3.9141034,1.760859103,0.449094939,0.639135644,0.287531448,0.466960136,0.528986003,0.274796614,6.124057442,9.440781542,18.66008421,0.458703467,1.270742753,3.212319046,1.039697761,0.139958353,0.731406469,0.236726694,0.315630169,0.18751452,0.026456514,4.39197516,3.934946191,8.794359987,0.597109704,0.529601202,3.464860442,1.303153841,0.252448946,0.690147559,0.259568447,0.366339154,0.293722921,0.08647885,5.020463229,5.718926374,11.87925875,0.535221338,0.746540925,3.893829495,1.740502528,0.440308495,0.640997518,0.286519428,0.462120853,0.517257947,0.264118268,6.074640518,9.258064333,18.31677242,0.461496277,1.243497068,3.587792391,1.429790412,0.306679198,0.67385722,0.268542459,0.392520902,0.35262598,0.127815623,5.324262001,6.668579432,13.56604167,0.51078583,0.872962505,3.978704409,1.82553739,0.477039532,0.633422418,0.290631369,0.482573805,0.56697608,0.31016508,6.281281331,10.03212645,19.77827645,0.450133627,1.359714965,3.928973683,1.736174736,0.439412464,0.643612826,0.284406163,0.470474532,0.514783445,0.263093881,6.104560883,9.310721674,18.41268408,0.465419239,1.248351857 +UMLS0031,L,4-vinylcyclohexene,C=CC1CCC=CC1,7499,,UML,[1],C8H12,PubChem,,19.3,0,1.5147,2.29431609,40.0862,20.74793,6,6,18,8,10,0,8,0,0,0,0,0,0,0,0,0,1164.273608,1275.183848,1508.261841,1250.044159,670.955547,289.634857,56.556864,3.048192,0,3698.972658,4535.501378,5886.509572,5455.451468,3699.216372,2058.624615,707.6164209,93.25123329,0,127.508768,131.500448,215.738244,255.20326,211.604268,166.456036,82.21824,20.155392,0,26.75732905,33.4466431,45.80880489,45.12577094,33.08094513,20.37324227,8.011080479,1.333838715,0,2863.531369,2545.580326,4483.903124,5646.065419,4769.052691,4030.154205,2091.831407,554.7529561,0,39.02777778,47.16666667,67.16666667,70.66666667,55.66666667,37.5,16,3,0,64.68186711,70.84354711,50.2753947,34.72344886,22.3651849,12.06811904,4.713072,1.016064,0,205.498481,251.9722988,196.2169857,151.5403185,123.3072124,85.77602562,58.96803508,31.08374443,0,7.083820444,7.305580444,7.1912748,7.088979444,7.0534756,6.935668167,6.85152,6.718464,0,1.48651828,1.858146839,1.526960163,1.253493637,1.102698171,0.848885095,0.66759004,0.444612905,0,159.0850761,141.4211292,149.4634375,156.8351505,158.968423,167.9230919,174.3192839,184.917652,0,2.168209877,2.62037037,2.238888889,1.962962963,1.855555556,1.5625,1.333333333,1,0,0.04788747,-0.001151418,-0.01550177,-0.009323014,-0.012553398,0.005902742,0.004368538,0.004314585,0,538.0711511,3.13E-13,-76.22674641,-67.25889389,-264.5516493,-4.483926259,71.74282015,71.74282015,0,1000.566282,-7.11E-14,-141.7468899,-125.0707852,-491.9450886,-8.33805235,133.4088376,133.4088376,0,0.105404444,1.52E-15,-0.014932296,-0.013175556,-0.051823852,-8.78E-04,0.014053926,0.014053926,0,4.472996822,4.05E-15,-0.63367455,-0.559124603,-2.199223437,-0.037274974,0.596399576,0.596399576,0,24.29738973,4.44E-14,-3.442130211,-3.037173716,-11.94621662,-0.202478248,3.239651964,3.239651964,0,3.841049383,-0.137345679,-0.255144033,-0.172839506,-1.968106996,-0.172325103,0.309670782,0.475565844,0,0.002660415,-6.40E-05,-5.17E-04,-2.59E-04,-4.18E-04,2.46E-04,3.64E-04,0.001438195,0,29.89284173,1.74E-14,-2.540891547,-1.868302608,-8.81838831,-0.186830261,5.978568346,23.91427338,0,55.58701566,-3.95E-15,-4.724896331,-3.474188479,-16.39816962,-0.347418848,11.11740313,44.46961253,0,0.005855802,8.46E-17,-4.98E-04,-3.66E-04,-0.001727462,-3.66E-05,0.00117116,0.004684642,0,0.248499823,2.25E-16,-0.021122485,-0.015531239,-0.073307448,-0.001553124,0.049699965,0.198799859,0,1.349854985,2.47E-15,-0.114737674,-0.084365937,-0.398207221,-0.008436594,0.269970997,1.079883988,0,0.213391632,-0.007630316,-0.008504801,-0.004801097,-0.065603567,-0.007180213,0.025805898,0.158521948,0,-0.024044254,-0.194227463,-0.097342939,-0.157286208,0.092447074,0.136837597,0.540590514,0,5.81E-16,-0.085,-0.0625,-0.295,-0.00625,0.2,0.8,0,-7.10E-17,-0.085,-0.0625,-0.295,-0.00625,0.2,0.8,0,1.44E-14,-0.085,-0.0625,-0.295,-0.00625,0.2,0.8,0,9.06E-16,-0.085,-0.0625,-0.295,-0.00625,0.2,0.8,0,1.83E-15,-0.085,-0.0625,-0.295,-0.00625,0.2,0.8,0,-0.035757332,-0.039855364,-0.022498996,-0.307432704,-0.033648051,0.120932101,0.742868622,0,1.037989453,1.092800598,1.034797131,1.17255776,0.827777597,0.703998097,0.262700961,0,1.0625,1.08375,1.009375,1.21125,0.8765625,0.6375,0,0,1.0625,1.08375,1.009375,1.21125,0.8765625,0.6375,0,0,1.0625,1.08375,1.009375,1.21125,0.8765625,0.6375,0,0,1.0625,1.08375,1.009375,1.21125,0.8765625,0.6375,0,0,1.0625,1.08375,1.009375,1.21125,0.8765625,0.6375,0,0,1.106468461,0.985576537,0.942547208,1.268340699,0.945108477,0.737645641,0,0,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,29.58989952,14.52678098,22.56708671,29.5676773,3.695959662,14.52678306,-0.088888889,0.390319451,0.048789931,-0.752631815,44.37253524,5.546566905,3.034096562,0,11.85,12.15008271,-0.210048528,0.090052896,5.447589186,8.129630703,8,18,15,12,2,3,0,0,0,6,10.93207,3.778338104,3.075106369,2.619181914,2.448940185,1.606133526,0.941428501,0.75010044,0.300101453,1.980511646,1.597047606,1.082250302,1.02499888,0.704115424,0.310513972,0.232431167,0.083923071,3.790516618,3.108532991,2.645815032,2.486516783,1.696155841,1.053336623,0.876575401,0.439305893,1.947260401,1.520375278,1.007167592,0.937107614,0.573754293,0.150156259,0.064536432,0.270913902,3.846032039,3.261037153,2.771820215,2.652915224,2.065523568,1.517793787,1.390101534,0.95638392,1.857564115,1.292203597,0.798620231,0.686507289,0.133546331,0.396843083,0.517420027,0.943918427,3.799583847,3.133513591,2.665925019,2.51424211,1.761202509,1.134811365,0.968002687,0.536342993,1.926879097,1.471135889,0.960278991,0.881838091,0.486048778,0.041902902,0.049400346,0.399277246,3.87446845,3.33728395,2.838078588,2.735176144,2.228105818,1.721464227,1.609909583,1.207644823,1.831627387,1.221738067,0.738564276,0.610498143,0.023603472,0.594311107,0.732186947,1.161353349,3.817371663,3.127691873,2.733079799,2.555167963,1.79092411,1.237867602,1.069479236,0.607031115,1.913847807,1.444075762,0.880194891,0.827340462,0.42168787,0.074082655,0.166758469,0.527472527,0,0,0,5,1,1,1,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.49279928,0.594861352,0.49279928,0.253933894,0.253933894,0.169289262,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,5.093858127,2.971343774,1.83915195,1.251072953,0.713712832,0.407100273,0.123928341,0.045360921,0.636732266,0.371417972,0.204350217,0.125107295,0.071371283,0.040710027,0.030982085,0.022680461,10.70913902,17.43918427,16.62745098,16.8,11.99277246,135.3693593,0.594952168,0.96884357,0.923747277,0.933333333,0.666265136,7.52051996,2.249,35.82,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,2,0,0,5,0,0,0,0,0,0,0,0,1,0,1,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.86490741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.095,0,0.645277778,0,0,2.095,0,0,0,0,0,0,0,0,2.162037037,0,1.139722222,0,0,10.45518519,0,0,0,0,1.409722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.409722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0.285972222,0,0,0.406597222,0,0,0,0,0,0,0,0,2.162037037,0,1.139722222,0,0,2.040833333,0,0,0,0,1.409722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.138888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.433055556,0,0.359305556,0,0,0.433055556,0,0,0,0,0,0,0,0,2.162037037,0,1.139722222,0,0,2.138888889,0,0,0,0,1.409722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.16666667,1.895833333,0.433055556,2.162037037,0.159722222,1.139722222,4.891390926,0.360277778,0.162037037,1.234444444,0.360277778,0.162037037,1.234444444,4,0.5,0,0,0.47778,0.7,0.43333,0.43333,0.7,0.04444,0.04444,0,0,0.71429,0,0,0.125,0.125,0,10,1.25,4,0.5,6,0.75,2,0.25,0,0,3.90009,0.48751,8.02289,4.12281,0.51535,1.94966,0.24371,3.93185,1.98218,0.24777,-0.01785,-0.00223,0.06815,0.00852,0.333333333,8,0,0,0,0,0,0,0.25,0.99107606,2.234984922,2.774401919,3.308270835,3.572431251,3.308270835,17.83936908,40.2297286,49.93923455,59.54887502,64.30376252,59.54887502,0.237672394,0.535977247,0.665336168,0.793364589,0.85671355,0.793364589,3.178848942,1.934940079,1.395523082,0.861654167,0.59749375,0.861654167,0.225638533,0.508839573,0.631648775,0.753194844,0.813336311,0.753194844,6.714395846,15.53453833,19.04285928,22.48460326,22.75083074,19.58090574,29.66949396,24.70322396,20.71495057,16.56023473,15.96274098,19.54770348,6.125,3.111111111,1.8,2,6,2,2.34,0.9982,0,2.00414513,0.5,0,7.732315986,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,3.919,9,10,10,10,4,2,0,0,0,61,2.48490665,2.917770732,3.358637767,3.752440936,4.150055169,3.270044111,2.784239339,0,0,0,5.346214275,3.423155738,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,2,0.25,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,0,115.7585009,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,106.0782503,5.893236129,15.69266546,1.961583183,0,0,0,64,7,2.938,34,1.232127986,2.167551661,2.978890941,3.844102222,4.583801355,5.496638831,6.220278543,0,0,0,96.47528551,117.8734334,108.7637669,93.02847258,58.56735403,25.49527965,6.320201097,0,0,0,331.9271515,448.7318028,470.1371881,493.6253954,408.5537546,321.0277651,193.3495485,0,0,0,9.03080713,15.63249621,21.17383392,27.1566162,31.8511339,37.64554702,41.79071746,0,0,0,2.40593799,3.446635947,3.858917542,4.357022195,4.003514552,3.644726325,2.765616112,0,0,0,172.4187124,320.849613,462.9208533,608.0778515,765.0916594,959.3477307,1150.239303,0,0,0,3.327001279,4.994226217,5.987842291,7.250041466,7.308954228,7.291815075,6.220278543,0,0,0,0.494734492,0.71690508,0.812876677,0.928724972,0.869167433,0.809872067,0.636956523,0,0,0,240.0242237,105.9257391,10.65412288,81.92373705,-36.1539859,-4.781169785,158.1004867,142.079725,15.43529266,0.745537332,0.329015096,0.033092686,0.254462668,-0.112297608,-0.014850753,77.27530936,34.10257571,3.430073134,26.37518008,-11.63970204,-1.539287863,0.140554929,0.139904669,3.535345639,1.891919658,321.9479608,0,1,0,602.7210856,24.55037852,8.447057718,700.6530078,26.46985092,8.881800151,969.535829,31.1373703,9.897403764,1.77494952,1.77494952,392.1575765,320.6629682,107.029726,1.22295873,3.664006172,2.996017838,3.753839471,3.785524729,6.661528955,0.759737271,3.197416829,2.821356819,3.479769094,8.057634602,4.012685415,3.507567048,3.561349468,3.91434869,3.440288179,2.690364695,1.746453417,0.549171909,1.80E-05,4.16E-31,1.96E-78,1.86E-147,3.51E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0.268446646,2.821253369,0.277055038,3.116040792,0.963957297,1.196584823,0.262529379,0.837052438,0.540023393,0.186568429,0.07852217,0.003867863,1.27E-07,2.93E-33,1.38E-80,1.31E-149,2.47E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0.866311904,2.821260555,0.903595604,3.597640697,1.263460585,1.602435804,0.806647968,1.371286835,0.950044058,0.628105668,0.298316298,0.040306111,1.32E-06,3.06E-32,1.44E-79,1.37E-148,2.58E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,3.018107373,2.821345557,3.274078191,7.568648648,3.711846,3.342787833,3.31367691,3.692737501,3.198355708,2.512482794,1.601656158,0.489302284,1.61E-05,3.71E-31,1.75E-78,1.66E-147,3.13E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,1.27672766,2.821269624,1.341772794,4.084746305,1.564908318,1.900597874,1.218542626,1.765905043,1.285545566,0.951855291,0.485026368,0.087550259,2.87E-06,6.64E-32,3.13E-79,2.97E-148,5.59E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,3.861319036,2.821404109,4.252276169,10.07984664,5.256222143,4.144128596,4.530282411,4.772595489,4.409154262,3.376914221,2.331041178,0.800915617,2.63E-05,6.07E-31,2.86E-78,2.71E-147,5.12E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,1.701678481,2.396487163,1.769637182,4.383235991,2.061906597,2.347466492,1.728822478,2.163383445,1.757908138,1.35391928,0.72556628,0.1527946,5.01E-06,1.16E-31,5.46E-79,5.18E-148,9.76E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,4.097047474,1.517507408,0.403595622,0.680781823,0.252155111,0.572840039,0.438784969,0.282292953,6.018150504,8.483309663,17.01073518,0.521172735,1.293917961,2.958917988,0.841450761,0.169651946,0.745315507,0.211951228,0.298859634,0.13508198,0.049917895,3.970020695,3.134523747,7.526941108,0.617973261,0.483859508,3.349355568,1.073429626,0.249925534,0.716790694,0.229723107,0.382890143,0.219728722,0.108302674,4.672710729,4.700664449,10.27193183,0.575186042,0.710921538,4.061726859,1.496533368,0.396337575,0.682116071,0.251324005,0.563008438,0.426754904,0.272236872,5.954597802,8.281457156,16.64519678,0.523174107,1.262000214,3.546919407,1.190787799,0.290536081,0.705399322,0.236819846,0.429372935,0.270341065,0.146338846,5.028243287,5.600103238,11.85546295,0.558098984,0.846052846,4.210646571,1.584962358,0.426938438,0.676675696,0.254712783,0.605037913,0.478606271,0.315869851,6.222547367,9.148084542,18.21989793,0.515013544,1.399514036,4.063590645,1.497373563,0.395527447,0.682212094,0.251385152,0.563497625,0.427196243,0.271139614,5.956491655,8.284227176,16.64738991,0.523318141,1.261833482 +UMLS0032,L,Ethylbenzene,CCC1=CC=CC=C1,7500,"[4] has MON of 124, RON from [4]; using Sand/UML, 2/3 src. have same val","Sandia, UML","[1], [4]",C8H10,PubChem,,9.1,0,1.9153,3.66837409,39.8829,19.414344,6,6,16,8,8,0,8,0,0,0,0,0,0,0,0,0,1162.24148,1250.969672,1468.892385,1209.658639,620.495067,249.249337,41.401584,2.032128,0,3636.805169,4306.028145,5449.048489,4986.906641,3178.102417,1590.079788,499.6285713,62.16748886,0,114.07184,117.265184,174.229956,206.976508,169.696812,118.229284,54.945216,13.436928,0,25.86810324,31.21955448,41.13433324,40.00668639,27.73754208,15.25415772,5.563697454,0.88922581,0,2493.696065,2239.33523,3469.782525,4447.027168,3786.727196,2831.115954,1383.955903,369.835304,0,43.77777778,50,64.66666667,68,53.66666667,32,12,2,0,72.6400925,78.1856045,61.20384937,41.71236686,25.85396112,14.66172571,5.175198,1.016064,0,227.3003231,269.1267591,227.0436871,171.962298,132.4209341,93.53410519,62.45357141,31.08374443,0,7.12949,7.329074,7.2595815,7.137120966,7.0707005,6.954663765,6.868152,6.718464,0,1.616756452,1.951222155,1.713930552,1.37954091,1.15573092,0.897303395,0.695462182,0.444612905,0,155.8560041,139.9584519,144.5742719,153.3457644,157.7802998,166.5362326,172.9944879,184.917652,0,2.736111111,3.125,2.694444444,2.344827586,2.236111111,1.882352941,1.5,1,0,0.060116247,-0.007827441,-0.01828461,-6.73E-04,-0.016138408,0.001887748,0.004369269,0.006607999,0,484.264036,2.84E-13,-121.066009,-90.79950675,-181.5990135,30.26650225,60.5330045,60.5330045,0,900.5096538,0,-225.1274134,-168.8455601,-337.6911202,56.28185336,112.5637067,112.5637067,0,0.094864,1.10E-15,-0.023716,-0.017787,-0.035574,0.005929,0.011858,0.011858,0,4.025697139,2.66E-15,-1.006424285,-0.754818214,-1.509636427,0.251606071,0.503212142,0.503212142,0,21.86765075,3.20E-14,-5.466912688,-4.100184516,-8.200369033,1.366728172,2.733456344,2.733456344,0,5.75,-1.388888889,-1.625,0.744791667,-1.319444444,-0.053819444,0.180555556,0.586805556,0,0.003757265,-4.89E-04,-7.62E-04,-2.32E-05,-6.72E-04,1.11E-04,5.46E-04,0.003304,0,30.26650225,1.78E-14,-5.044417042,-3.131017474,-7.566625562,1.780382485,7.566625562,30.26650225,0,56.28185336,0,-9.380308893,-5.822260692,-14.07046334,3.310697256,14.07046334,56.28185336,0,0.005929,6.85E-17,-9.88E-04,-6.13E-04,-0.00148225,3.49E-04,0.00148225,0.005929,0,0.251606071,1.67E-16,-0.041934345,-0.026028214,-0.062901518,0.014800357,0.062901518,0.251606071,0,1.366728172,2.00E-15,-0.227788029,-0.141385673,-0.341682043,0.080395775,0.341682043,1.366728172,0,0.359375,-0.086805556,-0.067708333,0.025682471,-0.054976852,-0.00316585,0.022569444,0.293402778,0,-0.130205091,-0.202769478,-0.006173602,-0.178968898,0.029554465,0.145360665,0.879362865,0,5.87E-16,-0.166666667,-0.103448276,-0.25,0.058823529,0.25,1,0,0,-0.166666667,-0.103448276,-0.25,0.058823529,0.25,1,0,1.16E-14,-0.166666667,-0.103448276,-0.25,0.058823529,0.25,1,0,6.62E-16,-0.166666667,-0.103448276,-0.25,0.058823529,0.25,1,0,1.46E-15,-0.166666667,-0.103448276,-0.25,0.058823529,0.25,1,0,-0.241545894,-0.188405797,0.071464268,-0.152979066,-0.008809321,0.062801932,0.816425121,0,1.079824717,1.047778526,0.888013533,1.179827091,0.997322345,0.81704671,0.008511861,0,0.9375,1.09375,1.034482759,1.171875,0.882352941,0.703125,0,0,0.9375,1.09375,1.034482759,1.171875,0.882352941,0.703125,0,0,0.9375,1.09375,1.034482759,1.171875,0.882352941,0.703125,0,0,0.9375,1.09375,1.034482759,1.171875,0.882352941,0.703125,0,0,0.9375,1.09375,1.034482759,1.171875,0.882352941,0.703125,0,0,1.25,0.942028986,0.714642679,1.219806763,1.150895141,0.97826087,0,0,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,27.86605434,13.72677795,20.99826265,27.76883211,3.471104014,13.72678277,-0.194444444,0.153109648,0.019138706,-1.501280767,43.2491459,5.406143238,3.013581988,0,11.85,12.15008271,-0.207942191,0.092213119,5.479089237,8.298380197,8,16,12,9,1,4,1,0,0,7,8.745656,3.785864566,3.119114842,2.619181914,2.405784561,1.156381864,0.941428501,0.725052607,0.280174019,1.97015401,1.510684438,1.082250302,0.923353579,0.418558502,0.310513972,0.230006578,0.083923071,3.797092469,3.142658279,2.645815032,2.436280005,1.256520403,1.053336623,0.856879173,0.423280306,1.940232039,1.448493337,1.007167592,0.84110369,0.266782494,0.150156259,0.061529565,0.270913902,3.848106914,3.251531273,2.771820215,2.579349753,1.677747189,1.517793787,1.382064135,0.955137705,1.858666052,1.274269266,0.798620231,0.609505433,0.243738908,0.396843083,0.524357009,0.943918427,3.805443782,3.160295577,2.665925019,2.459251261,1.329712097,1.134811365,0.951373269,0.523078219,1.92179759,1.409589943,0.960278991,0.789465099,0.164816966,0.041902902,0.052901622,0.399277246,3.874117747,3.30755171,2.838078588,2.653730538,1.865625664,1.721464227,1.604206803,1.207644823,1.834898222,1.223139785,0.738564276,0.541794863,0.42484266,0.594311107,0.742016485,1.165965378,3.766653884,3.288458759,2.646350658,2.472789285,1.405901381,1.174708269,1.00012017,0.545084816,1.96120136,1.311557416,0.959453141,0.757374811,0.087295333,0.018394213,0.118420625,0.48,0,0,1,6,1,0,0,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.018518519,0.204124145,0,0,0,0.096225045,0,0,0,0.49279928,0.594861352,0.49279928,0.179152493,0.174792465,0.119434995,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,4.671208396,2.607607028,1.614807748,1.035274752,0.589121682,0.33516754,0.082397958,0.02618914,0.58390105,0.325950878,0.179423083,0.103527475,0.058912168,0.033516754,0.02059949,0.01309457,10.16731122,15.55134741,14.90196078,15.04,11.19421796,119.0837988,0.635456951,0.971959213,0.931372549,0.94,0.699638623,7.442737425,2.14689,35.471,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,5,0,0,0,1,7,0,0,0,0,0,0,0,0,0,1,0,0,1,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.66666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0.45,2.25,0,0,0,0.45,3.15,0,0,0,0,0,0,0,0,0,3.630925926,0,0,1.833333333,10.0287963,0,0,0,0,1.173611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.173611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0.45,0.45,0,0,0,0.45,0.45,0,0,0,0,0,0,0,0,0,3.630925926,0,0,1.833333333,1.993055556,0,0,0,0,1.173611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.630925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0.45,0.45,0,0,0,0.45,0.45,0,0,0,0,0,0,0,0,0,3.630925926,0,0,1.833333333,2.020833333,0,0,0,0,1.173611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.66666667,2.083333333,0.45,3.630925926,0.25,1.173611111,4.901300093,0.493055556,0.630925926,1.345185185,0.493055556,0.630925926,1.345185185,4,0.5,0,0,0.5,0.7,0.43333,0.43333,0.7,0.06667,0.06667,0,0,0.71429,0,0,0.125,0.125,0,11.5,1.4375,4,0.5,7.5,0.9375,3.5,0.4375,0,0,2.74153,0.34269,8.02289,5.28136,0.66017,1.36793,0.17099,3.93185,2.56391,0.32049,-0.01785,-0.00223,0.06815,0.00852,0.375,8,0,0,0,0,0,0,0,1,1.530639062,2.280639062,3.125,3.5,3.125,16,24.490225,36.490225,50,56,50,0.25,0.382659766,0.570159766,0.78125,0.875,0.78125,3,2.469360938,1.719360938,0.875,0.5,0.875,0.231378213,0.354156531,0.527690191,0.723056916,0.809823746,0.723056916,6.503912516,12.87158126,17.41272572,23.75978129,22.76369381,18.26369381,28,26.10300624,23.43383437,17,17.5,22,6.125,3.111111111,1.8,2,8,2,2.34,0.9552,0,2.00414513,0.5,0,7.732315986,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.156,0.16,0.593,0.791,3.812,9,10,10,10,4,2,0,0,0,61,2.564949357,2.970414466,3.457892725,3.852803646,4.251170232,3.595598464,3.446011397,0,0,0,5.526945848,4.104508197,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,1,0.125,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,0,113.1220422,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,104.0626003,6.503912516,15.69266546,1.961583183,0,0,0,64,7,2.937,34,1.223143984,2.191162888,3.004142699,3.877279722,4.62405939,5.562832053,6.325978194,0,0,0,103.703345,141.1981378,128.2664022,106.1071097,71.06657574,28.49988778,6.427598708,0,0,0,348.0386033,514.7401536,528.8885067,527.4954839,448.5479303,345.239961,196.6350895,0,0,0,8.990339138,15.93392046,21.4842862,27.43612349,32.22215453,38.19597962,42.50085676,0,0,0,2.488942949,3.851643538,4.231059399,4.558736803,4.267505549,3.851316768,2.812611541,0,0,0,169.5814233,315.0228985,457.3260991,610.4049996,765.1174798,963.1673967,1169.785034,0,0,0,3.927761855,6.018668497,7.187084409,8.784626209,8.962288575,8.361660245,6.325978194,0,0,0,0.510482241,0.796921869,0.886843263,0.968473156,0.922135537,0.853092297,0.647780167,0,0,0,219.7161834,105.1911401,13.04942476,105.1642905,-50.34836961,-6.949340052,114.5518929,155.5395097,19.99876482,0.676298519,0.323784125,0.040166848,0.323701481,-0.154975056,-0.021390452,71.38149779,34.17454744,4.239503301,34.16582453,-16.35720218,-2.257704889,0.130218973,0.204979273,3.531750969,4.654244287,324.8804739,0,1,0,637.4954083,25.24867142,8.60648244,716.6901953,26.77107012,8.949054529,1018.6297,31.91597876,10.06171731,1.900871391,1.900871391,368.2596053,290.9102002,97.06016757,1.265887566,3.794137333,2.997215104,3.630487172,3.785524729,6.992606262,0.847196033,2.884614086,1.014009041,4.066987988,6.276305684,1.0109625,3.585627192,3.799295941,4.525879818,1.530518317,2.425067599,1.499623542,0.203038918,0.994548179,6.59E-12,8.43E-45,2.08E-99,9.89E-176,9.08E-274,0,0,0,0,0,0,0,0,0,0,0,0,0.242216695,1.014008084,0.309496826,0.987959533,0.373309899,2.069769955,1.213767347,1.194756836,0.122975693,0.131996748,0.079671977,0.00143002,0.007004684,4.64E-14,5.94E-47,1.46E-101,6.97E-178,6.39E-276,0,0,0,0,0,0,0,0,0,0,0,0,0.781586336,1.014008271,1.019085033,1.563948485,0.447943909,2.359024596,1.613947194,1.715180083,0.286210354,0.473229722,0.287620853,0.014901908,0.072994209,4.84E-13,6.19E-46,1.53E-100,7.26E-177,6.66E-275,0,0,0,0,0,0,0,0,0,0,0,0,2.722848411,1.014008979,3.816652323,5.77444406,0.952283143,3.485694094,3.595877568,4.265514437,1.400456013,2.2398186,1.383723913,0.180904021,0.886124522,5.88E-12,7.51E-45,1.85E-99,8.82E-176,8.09E-274,0,0,0,0,0,0,0,0,0,0,0,0,1.151846686,1.014008401,1.523237107,2.108839064,0.515664184,2.563575989,1.92653975,2.119802077,0.435106207,0.74513441,0.454687116,0.032368935,0.158553177,1.05E-12,1.34E-45,3.32E-100,1.58E-176,1.45E-274,0,0,0,0,0,0,0,0,0,0,0,0,3.483559569,1.014009273,5.016922797,8.336707167,1.250528584,3.963733918,4.603709072,5.553974947,2.061918317,3.161906464,1.961642333,0.29611318,1.450455049,9.62E-12,1.23E-44,3.03E-99,1.44E-175,1.32E-273,0,0,0,0,0,0,0,0,0,0,0,0,1.49543903,0.904323087,1.783644588,2.349905471,0.695300632,2.683067569,2.066869428,2.726270099,0.633655627,1.021951342,0.656032338,0.046780167,0.2291439,1.52E-12,1.94E-45,4.79E-100,2.28E-176,2.09E-274,0,0,0,0,0,0,0,0,0,0,0,0,3.938520537,1.568156216,0.260291614,0.68294471,0.271920378,0.515722639,0.44003137,0.218828273,5.766968367,7.609557243,14.9841427,0.524417064,1.174582282,2.714091167,0.838198403,0.096013002,0.743932586,0.229750243,0.244897178,0.124453405,0.026382271,3.648302572,2.616012867,6.482739919,0.615898879,0.395732854,3.107333258,1.072212656,0.149313944,0.717817938,0.24768939,0.320996961,0.204408245,0.067387627,4.328859857,3.955786527,8.782118942,0.576726907,0.592792832,3.89671494,1.543189623,0.254741689,0.68427691,0.27098955,0.504829981,0.426019726,0.209095838,5.694646252,7.399140534,14.62564283,0.526415365,1.139945545,3.316473559,1.196883773,0.177395442,0.707023738,0.255158144,0.365662334,0.255176493,0.097171769,4.690752774,4.770082406,10.16499457,0.560535607,0.718010596,4.074820149,1.649565551,0.278370219,0.678824894,0.27480137,0.552044524,0.487302881,0.252119165,6.002755919,8.315181445,16.18905372,0.518237341,1.291466571,3.909379121,1.53733322,0.254358235,0.685727193,0.269656935,0.508055554,0.422781929,0.208717263,5.701070576,7.39543453,14.62520278,0.528590789,1.139554745 +UMLS0033,L,styrene,C=CC1=CC=CC=C1,7501,Sandia values from independent api report ,Sandia,,C8H8,PubChem,,2.8,0,0.9048,0.81866304,37.5993,18.456344,6,6,16,8,8,0,7,0,1,0,0,0,0,0,0,0,1273.94536,1346.769408,1566.676873,1299.358967,674.402615,265.376329,54.524736,3.048192,0,3429.679045,4064.453346,5056.735605,4502.981765,2929.701557,1672.093419,645.4489321,93.25123329,0,119.88304,122.25192,192.596596,196.115756,163.460324,127.700452,68.781312,20.155392,0,23.72240724,28.32043448,36.27456577,33.94724362,24.24120362,15.7889257,7.121854669,1.333838715,0,2552.352995,2292.433175,3835.778413,4041.290719,3507.564322,3016.300231,1721.996103,554.7529561,0,47.02777778,51.5,72.83333333,68.66666667,51.66666667,31.5,14,3,0,79.621585,84.173088,62.66707492,49.97534488,30.65466432,14.74312939,5.4524736,1.016064,0,214.3549403,254.0283341,202.2694242,173.1916063,133.1682526,92.89407882,64.54489321,31.08374443,0,7.49269,7.640745,7.70386384,7.542913692,7.430014727,7.094469556,6.8781312,6.718464,0,1.482650452,1.770027155,1.450982631,1.305663216,1.101872892,0.877162539,0.712185467,0.444612905,0,159.5220622,143.2770734,153.4311365,155.4342584,159.4347419,167.572235,172.1996103,184.917652,0,2.939236111,3.21875,2.913333333,2.641025641,2.348484848,1.75,1.4,1,0,0.170369255,-0.043221815,-0.03926932,0.006435707,-0.022354319,-0.00927398,0.012598153,0.009900947,0,543.054135,20.945973,-72.07837669,-131.6542736,-262.9447669,-2.618246625,77.60924662,99.21337669,0,844.7408722,-46.18524912,13.3734264,-213.728811,-415.2253393,5.773156141,80.88520285,152.7371779,0,1.007631,0.018387,-0.305412937,-0.172315875,-0.192343125,-0.002298375,0.096500625,0.053667187,0,3.861248463,-0.482480838,0.348461208,-0.954988721,-1.708400336,0.060310105,0.206098889,0.600375462,0,21.56644259,-3.103814896,2.262620707,-5.25843266,-9.086578759,0.387976862,0.883320451,3.131686999,0,7.442708333,-0.144097222,-1.896592882,-0.705512153,-2.697265625,-0.253255208,0.990668403,0.984700521,0,0.010648078,-0.002701363,-0.001570773,2.48E-04,-0.001016105,-5.15E-04,0.001259815,0.003300316,0,33.94088344,1.309123313,-2.883135067,-5.063625909,-11.95203486,-0.145458146,7.760924662,33.07112556,0,52.79630451,-2.88657807,0.534937056,-8.220338883,-18.87387906,0.320730897,8.088520285,50.91239262,0,0.062976938,0.001149188,-0.012216517,-0.006627534,-0.008742869,-1.28E-04,0.009650062,0.017889062,0,0.241328029,-0.030155052,0.013938448,-0.036730335,-0.077654561,0.003350561,0.020609889,0.200125154,0,1.347902662,-0.193988431,0.090504828,-0.20224741,-0.413026307,0.02155427,0.088332045,1.043895666,0,0.465169271,-0.009006076,-0.075863715,-0.027135083,-0.122602983,-0.014069734,0.09906684,0.328233507,0,-0.253694924,-0.14751702,0.023246185,-0.095426177,-0.0483863,0.118313864,0.309944705,0,0.038570691,-0.084945787,-0.149189573,-0.352142715,-0.004285632,0.228660066,0.97437433,0,-0.054673866,0.010132093,-0.155699134,-0.357484851,0.006074874,0.153202395,0.964317353,0,0.018247751,-0.193983988,-0.105237471,-0.138826524,-0.002027528,0.153231689,0.284057358,0,-0.124954621,0.057757271,-0.152200868,-0.321780114,0.013883847,0.085401969,0.829266102,0,-0.143918724,0.067144929,-0.150046005,-0.306421464,0.015990969,0.065532955,0.774459236,0,-0.019360858,-0.163088407,-0.058333782,-0.263566385,-0.030246482,0.212969443,0.705621647,0,1.158205327,1.46756067,1.083418225,1.067530584,0.629391909,0.178585127,0.003415232,0,0.863463951,1.058821854,1.091649861,1.280147627,0.915545735,0.6688063,0,0,1.037624036,0.912888206,1.079910675,1.262355741,0.929509189,0.799514103,0,0,0.855342878,1.56891362,1.206063071,1.146408574,0.54483073,0.070609181,0,0,1.160356841,0.90327782,1.092730885,1.224889528,0.870797283,0.781942132,0,0,1.192244431,0.915147457,1.099312093,1.211313994,0.844979528,0.76047489,0,0,0.871238628,1.308887334,1.059374495,1.245626312,0.797760672,0.403079076,0,0,22.61050027,11.43025014,17.04465439,22.79800027,2.849750034,11.43029839,0.25,0.135029887,0.016878736,-1.601807311,47.9674372,5.99592965,3.096417911,22.61899796,11.43413177,17.05094403,22.80594715,2.850743393,11.43417983,0.249265579,0.135437054,0.016929632,-1.599398637,47.94204961,5.992756201,3.095994385,30.30456665,14.95278609,23.16382983,30.20481803,3.775602254,14.95278735,-0.398994478,0.399477746,0.049934718,-0.734077777,43.0990853,5.387385662,3.010801419,22.62791705,11.43820592,17.05754718,22.81428815,2.851786018,11.43825377,0.2484948,0.135864135,0.016983017,-1.596879922,47.91573316,5.989466645,3.095555127,38.62629667,18.7720012,30.20860857,38.3557231,4.794465388,18.77200123,-1.082294264,0.535704345,0.066963043,-0.499338292,31.49186427,3.936483034,2.759783388,23.50330425,11.83821922,17.71328539,23.63315489,2.954144361,11.83825066,0.173134186,0.176367443,0.02204593,-1.388148572,46.73298945,5.841623681,3.075560262,21.95815569,10.99997319,16.38868148,22.10545212,2.763181514,11.00005364,0.413605442,0.065440248,0.008180031,-2.181294239,50.14853684,6.268567105,3.131991471,0,11.85,15.99491639,-0.348675213,0.105164645,4.660590023,7.342634063,8,16,13,10,2,3,0,0,0,6,10.661656,3.766842139,2.984172865,2.619181914,2.445171661,1.228883067,0.941428501,0.690660533,0.107770261,1.929136121,1.419804803,1.082250302,0.967287576,0.310513972,0.239550769,0.083923071,0.083923071,3.755775342,2.88551421,2.645815032,2.48201622,1.091979087,1.053336623,0.76719018,0.270913902,1.914982218,1.38838197,1.007167592,0.904292275,0.150156259,0.08379992,0.107436056,0.270913902,3.826651508,3.138270217,2.771820215,2.651594666,1.562583604,1.517793787,1.336607129,0.943918427,1.816325779,1.064557485,0.798620231,0.681602348,0.396843083,0.472373782,0.680741196,0.943918427,3.758630551,2.873051932,2.665925019,2.51148735,1.134811365,1.104720884,0.828417247,0.399277246,1.906589605,1.370157479,0.960278991,0.861166487,0.041902902,0.003678515,0.135275596,0.399277246,3.84717544,3.188769109,2.838078588,2.728062377,1.721464227,1.684105313,1.523663297,1.207644823,1.795444599,1.006587679,0.738564276,0.610165105,0.594311107,0.634761391,0.845625821,1.207644823,3.81268455,3.172827911,2.705142425,2.529043438,1.555473184,1.217490681,1.024048234,0.512195122,1.860148589,1.176597971,0.905650187,0.824167992,0.056187812,0.135938595,0.423581568,0.512195122,0,0,0,6,0,0,0,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.01309457,0.204124145,0,0,0,0.068041382,0,0,0,0.49279928,0.594861352,0.49279928,0.146608802,0.146608802,0.097739201,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,4.794999636,2.523056038,1.517176675,0.978907426,0.556577991,0.316378431,0.071550061,0.02618914,0.599374955,0.315382005,0.168575186,0.097890743,0.055657799,0.031637843,0.017887515,0.01309457,9.88211032,15.8820102,15.25098039,15.44,10.67445749,120.4956251,0.617631895,0.992625637,0.953186275,0.965,0.667153593,7.530976572,2.19599,35.055,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,1,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,5,0,0,0,0,0,0,0,0,1,0,0,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.914166667,10.59046296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.482222222,0,0,0,0,2.482222222,0,0,0,0,0,0,0,0,1.662037037,0,0,0,0,9.680740741,0,0,0,0,0.909722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.914166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.914166667,0.909722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.473055556,0,0,0,0,0.473055556,0,0,0,0,0,0,0,0,1.662037037,0,0,0,0,1.916666667,0,0,0,0,0.909722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.914166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.914166667,1.960833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.517708333,0,0,0,0,0.517708333,0,0,0,0,0,0,0,0,1.662037037,0,0,0,0,1.960833333,0,0,0,0,0.909722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.914166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.16666667,2.145833333,0.535972222,4.914166667,0.272083333,0.909722222,3.794485926,0.756944444,1.414166667,2.828333333,0.756944444,1.414166667,2.828333333,3.83333,0.47917,0,0.02083,0.54792,0.79583,0.43333,0.4803,0.79583,0.11458,0.06761,-0.04697,0,0.60209,0.1122,0,0.13043,0.13043,0,11,1.375,4.5,0.5625,6.5,0.8125,2,0.25,0.5,0.0625,3.01453,0.37682,8.02289,5.00837,0.62605,1.44723,0.1809,3.93185,2.48462,0.31058,-0.01785,-0.00223,0.06815,0.00852,0.375,8.01,0,1,1,1,0,0,0.142857143,1.271782222,2.251614472,2.555036533,3.155639062,3.452819531,3.155639062,20.34851555,36.02583155,40.88058452,50.490225,55.2451125,50.490225,0.317945555,0.562903618,0.638759133,0.788909766,0.863204883,0.788909766,2.728217778,1.748385528,1.444963467,0.844360938,0.547180469,0.844360938,0.299388871,0.530050116,0.601478374,0.742865563,0.812824494,0.742865563,10.76402783,17.27636205,20.91742678,24.78938876,25.08889467,21.52272905,27.91485331,24.71237006,21.63119751,17.46691719,16.85845859,20.50921015,6.125,3.111111111,1.8,2,7,0,2.12,0.916,0,1.34123076,0.5,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.344,0.35,0.738,0.678,3.78,9,10,10,10,4,2,0,0,0,61,2.48490665,2.917770732,3.358637767,3.752440936,4.150055169,3.270044111,2.784239339,0,0,0,5.346214275,3.423155738,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,2,0.25,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,9.23,107.252743,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,108.0575149,6.75359468,15.69266546,1.961583183,2.761188405,2.761188405,0,64,7,1.267,34,1.230581484,2.153332839,2.997369304,3.834379809,4.328101472,5.260649928,6.027313303,0,0,0,112.7327021,144.4420694,154.413897,123.1832738,69.10432689,28.37859096,6.124136064,0,0,0,329.6805758,456.9908928,526.1777068,514.9408208,424.6835529,337.24793,187.3514663,0,0,0,9.47510871,16.63935364,22.68066968,28.63184122,30.90452194,36.17246469,40.49428744,0,0,0,2.256138535,3.242158557,3.948755066,4.20255789,3.946423903,3.72816518,2.679821276,0,0,0,175.1584146,327.4747931,462.9757421,614.6039907,719.4668832,906.7561203,1114.556624,0,0,0,4.122105605,6.454405824,8.117356653,9.129328364,7.894312679,7.33741344,6.027313303,0,0,0,0.499724428,0.732961502,0.902554042,0.967369107,0.877300444,0.824453212,0.617196882,0,0,0,224.1649731,132.9296361,13.21739452,85.9321393,-50.95768461,-10.74798404,138.2328338,183.8873207,23.96537856,0.722886361,0.42867099,0.042623404,0.277113639,-0.164328149,-0.034660058,69.51291087,41.2210963,4.098675874,26.64730826,-15.80183085,-3.332918815,0.12672565,0.587953769,0.737289899,12.50795909,288.8234005,21.2737119,0.931396614,0.068603386,678.6363847,26.05065037,8.787777387,757.1942348,27.51716255,9.114561218,1091.059634,33.03119183,10.29475849,1.741276564,1.741276564,372.7513824,299.2814426,101.2476025,1.24548779,3.68158231,2.955936093,3.612210444,3.785524729,6.494290706,0.715558918,2.639619182,1.378629535,5.135810553,6.836322367,2.049408197,3.753677201,3.065173644,2.967191568,4.03719978,1.108196692,0.009307524,1.683519806,7.84E-12,1.18E-44,3.46E-99,1.95E-175,2.11E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0.221638872,1.546206441,0.488022997,1.620528328,0.194008258,1.956249937,2.181725602,0.644368576,0.146598501,0.090605565,4.08E-04,0.011857168,5.52E-14,8.34E-47,2.43E-101,1.37E-177,1.49E-275,0,0,0,0,0,0,0,0,0,0,0,0,0,0.715198302,1.234577282,1.175624585,1.761882495,0.572652645,1.605088808,1.869958519,0.94783167,0.577983743,0.294065399,0.001562332,0.123560829,5.76E-13,8.69E-46,2.54E-100,1.43E-176,1.55E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,2.491593233,1.545571343,5.588748009,6.799576713,1.935867367,4.038573736,3.272307093,3.160108531,3.720866175,1.044396953,0.00852847,1.499985838,6.99E-12,1.05E-44,3.08E-99,1.73E-175,1.88E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,1.054012032,1.116155784,1.514952581,2.069939831,0.832585682,1.610669343,1.824482428,1.106551597,0.969106745,0.434996576,0.002551485,0.268390631,1.25E-12,1.89E-45,5.51E-100,3.10E-176,3.37E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,3.187697601,1.484374546,6.848952979,9.289612263,2.470127018,4.546893118,3.542081854,3.887645492,5.552878801,1.346129392,0.012457944,2.455255417,1.14E-11,1.73E-44,5.04E-99,2.84E-175,3.08E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,1.385034939,1.74771407,3.558863509,4.037860328,0.914311629,3.646996579,3.195265337,2.124295631,1.505215827,0.573275924,0.003609534,0.441661056,2.06E-12,3.11E-45,9.06E-100,5.10E-176,5.54E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,3.886035496,1.562935907,0.210799764,0.686606469,0.276148251,0.542804265,0.432429203,0.321093812,5.659771167,7.222266299,14.16235606,0.529909703,1.296327279,2.643742926,0.815318523,0.159029343,0.730701101,0.22534496,0.254181544,0.117503888,0.135926634,3.618090792,2.705584849,6.66646221,0.596051652,0.507612066,3.036045754,1.098539839,0.15875721,0.707151954,0.255870516,0.331433925,0.213520983,0.173172304,4.293342803,3.991612487,8.814445069,0.560727932,0.718127212,3.820715063,1.510553917,0.217576846,0.688560321,0.272228489,0.524696025,0.403856776,0.332784415,5.548845826,6.931356795,13.73592478,0.532840481,1.261337216,3.266599182,1.245145097,0.16044903,0.69915754,0.266501194,0.383499388,0.274425699,0.186551448,4.672193308,4.791294946,10.11609703,0.548736311,0.844476535,4.01206714,1.626291966,0.221905301,0.684622205,0.277511705,0.578590121,0.468201849,0.35505202,5.860264407,7.775974331,15.08412479,0.526933308,1.40184399,3.835173888,1.528663366,0.211235035,0.687914647,0.274196152,0.528651267,0.41364587,0.319118945,5.575072289,6.995720176,13.80919796,0.531871971,1.261416082 +UMLS0034,L,Methoxybenzene,COC1=CC=CC=C1,7519,"""methoxybenzene""; ""methyl phenyl ether""","Sandia, UML",[1],C7H8O,PubChem,,12.2,0,0.998,0.996004,25.5026,12.800758,0,0,11,5,6,0,5,0,0,0,0,0,0,0,0,0,727.416989,793.963133,867.621725,152.397504,7.112448,0,0,0,0,2304.086975,2806.004207,3525.50765,1594.425607,217.586211,0,0,0,0,78.013364,80.408372,129.832628,132.440832,47.029248,0,0,0,0,16.61217743,20.62576586,27.75164462,16.47482205,3.112290334,0,0,0,0,1743.477693,1552.707067,2656.360005,3131.894137,1294.423564,0,0,0,0,24.25,29,42,30,7,0,0,0,0,66.12881718,72.17846664,48.20120694,8.020921263,1.016064,0,0,0,0,209.4624523,255.0912915,195.8615361,83.91713723,31.08374443,0,0,0,0,7.092124,7.309852,7.212923778,6.970570105,6.718464,0,0,0,0,1.510197948,1.875069624,1.541758035,0.867095898,0.444612905,0,0,0,0,158.4979721,141.1551879,147.5755558,164.8365335,184.917652,0,0,0,0,2.204545455,2.636363636,2.333333333,1.578947368,1,0,0,0,0,0.038385726,-0.001000188,-0.018250679,-0.018915241,0.018973244,0,0,0,0,330.1800245,-1.42E-14,-155.084557,-185.1009229,175.0954676,0,0,0,0,613.9838548,2.13E-13,-288.3863561,-344.2030701,325.5974988,0,0,0,0,0.06468,5.20E-16,-0.03038,-0.03626,0.0343,0,0,0,0,2.744793504,-1.28E-15,-1.289221191,-1.538747874,1.455572313,0,0,0,0,14.90976188,2.98E-14,-7.003069973,-8.358502871,7.906691905,0,0,0,0,2.409090909,0.113636364,-1.169421488,-1.320247934,1.171487603,0,0,0,0,0.003489611,-9.09E-05,-0.001013927,-9.96E-04,0.002710463,0,0,0,0,30.01636587,-1.29E-15,-8.615808721,-9.742153834,25.01363822,0,0,0,0,55.81671408,1.94E-14,-16.02146423,-18.11595106,46.5139284,0,0,0,0,0.00588,4.73E-17,-0.001687778,-0.001908421,0.0049,0,0,0,0,0.249526682,-1.16E-16,-0.0716234,-0.08098673,0.207938902,0,0,0,0,1.355432898,2.70E-15,-0.389059443,-0.439921204,1.129527415,0,0,0,0,0.219008264,0.010330579,-0.06496786,-0.069486733,0.167355372,0,0,0,0,-0.02605624,-0.290555721,-0.285286483,0.776723542,0,0,0,0,-4.30E-17,-0.287037037,-0.324561404,0.833333333,0,0,0,0,3.47E-16,-0.287037037,-0.324561404,0.833333333,0,0,0,0,8.05E-15,-0.287037037,-0.324561404,0.833333333,0,0,0,0,-4.65E-16,-0.287037037,-0.324561404,0.833333333,0,0,0,0,2.00E-15,-0.287037037,-0.324561404,0.833333333,0,0,0,0,0.047169811,-0.296645702,-0.317279047,0.764150943,0,0,0,0,0.996870989,1.245779149,1.117965934,0.052720243,0,0,0,0,1,1.222222222,1.157894737,0,0,0,0,0,1,1.222222222,1.157894737,0,0,0,0,0,1,1.222222222,1.157894737,0,0,0,0,0,1,1.222222222,1.157894737,0,0,0,0,0,1,1.222222222,1.157894737,0,0,0,0,0,0.943396226,1.268343816,1.146971202,0,0,0,0,0,9.62054032,4.81027016,7.428304149,9.62054032,1.924108064,4.833017639,-1.78E-15,3.33E-16,6.66E-17,-17.81909414,2000006.919,400001.3839,7.254330599,9.62054032,4.81027016,7.428304149,9.62054032,1.924108064,4.833017639,-1.78E-15,3.33E-16,6.66E-17,-17.81909414,2000006.919,400001.3839,7.254330599,9.62054032,4.81027016,7.428304149,9.62054032,1.924108064,4.833017639,-1.78E-15,3.33E-16,6.66E-17,-17.81909414,2000006.919,400001.3839,7.254330599,9.62054032,4.81027016,7.428304149,9.62054032,1.924108064,4.833017639,-1.78E-15,3.33E-16,6.66E-17,-17.81909414,2000006.919,400001.3839,7.254330599,9.62054032,4.81027016,7.428304149,9.62054032,1.924108064,4.833017639,-1.78E-15,3.33E-16,6.66E-17,-17.81909414,2000006.919,400001.3839,7.254330599,9.62054032,4.81027016,7.428304149,9.62054032,1.924108064,4.833017639,-1.78E-15,3.33E-16,6.66E-17,-17.81909414,2000006.919,400001.3839,7.254330599,10.53766741,5.086188389,7.865563444,10.52433408,2.104866815,5.104545384,-0.066666667,0,0,0,2000007.898,400001.5796,7.254330844,0,11.8,12.2000303,-0.273112479,0.127188109,6.161157018,6.565168448,5,11,9,9,3,2,2,0,0,2,6.559242,3.667553189,2.426821709,2.197250276,0.832506146,0.679380678,0.083923071,0.214869462,0.342898638,1.622825513,1.595457607,0.607845426,0.342898638,0.214869462,0.083923071,0.679380678,0.832506146,3.684026951,2.457362652,2.247566164,0.961630182,0.820279949,0.270913902,0.043564548,0.186448751,1.564090626,1.549366047,0.472826418,0.186448751,0.043564548,0.270913902,0.820279949,0.961630182,3.75804736,2.602811579,2.474115979,1.471018255,1.366485912,0.943918427,0.558628764,0.341106848,1.422567485,1.397041684,0.033013394,0.341106848,0.558628764,0.943918427,1.366485912,1.471018255,3.69624093,2.480489252,2.285044829,1.053690909,0.920086984,0.399277246,0.073150218,0.081212006,1.527166285,1.520809738,0.383128865,0.081212006,0.073150218,0.399277246,0.920086984,1.053690909,3.795188656,2.67944162,2.585009677,1.686053834,1.593259861,1.207644823,0.786651143,0.528203203,1.385615038,1.346925969,0.116957127,0.528203203,0.786651143,1.207644823,1.593259861,1.686053834,3.716556031,2.547412463,2.264985939,1.15084209,1.03162355,0.526315789,0.192369689,0.031534905,1.541164691,1.452676181,0.309904847,0.031534905,0.192369689,0.526315789,1.03162355,1.15084209,0,0,0,4,0,0,1,0,0,0,0,0.176776695,0,0,0,0,0.07856742,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.535533906,2.5,1.767766953,1.25,0.883883476,0,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0,0,0,3.016507858,1.816496581,1.092006961,0.655442165,0.392837101,0,0,0,0.603301572,0.363299316,0.218401392,0.131088433,0.07856742,0,0,0,6.625483411,10.66351056,10.17647059,10.28,7.395663473,82.57015449,0.602316674,0.969410051,0.92513369,0.934545455,0.672333043,7.506377681,1.35488,22.357,14,18.61803399,28,5.6,14.000001,1.11E-16,2.22E-17,-18.36840028,19.22543377,3.845086753,1.478117039,20,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,1,0,4,0,0,0,0,0,0,0,0,0,0,1,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.619444444,0,0,0,0.380555556,0,1.619444444,0,0,0,0,0,0,0,0,0,0,1.138888889,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.3875,0,0,0,0.380555556,0,0.3875,0,0,0,0,0,0,0,0,0,0,1.138888889,0,2.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,0,0,0.380555556,0,0.422222222,0,0,0,0,0,0,0,0,0,0,1.138888889,0,2.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.5,1.9,0.422222222,2.125,0.380555556,1.138888889,2.890055556,0.361111111,0.125,0.722222222,0.361111111,0.125,0.722222222,2.5,0.5,0,0,0.48182,0.7,0.43333,0.43333,0.7,0.04848,0.04848,0,0,0.71429,0,0,0,0,0,5.5,1.1,2.5,0.5,3,0.6,0.5,0.1,0,0,1.84868,0.36974,3.75,1.90132,0.38026,1.23246,0.24649,2.5,1.26754,0.25351,-0.086,-0.0172,0,0,0.454545455,5,0,0,0,0,0,0,0.2,0.994030211,2.186704346,2.55034071,2.55034071,2.55034071,2.55034071,10.93433233,24.05374781,28.05374781,28.05374781,28.05374781,28.05374781,0.28733917,0.632099312,0.737213794,0.737213794,0.737213794,0.737213794,2.465401407,1.272727273,0.909090909,0.909090909,0.909090909,0.909090909,0.26862489,0.590930947,0.689199367,0.689199367,0.689199367,0.689199367,6.685280239,15.49151432,15.85799615,15.85799615,15.85799615,15.85799615,18.37331062,15.63617634,15.30204426,15.30204426,15.30204426,15.30204426,3.2,1.44,0.64,0,4,0,2.01,0.6185,0,0,0,0,7.071067812,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.115,0.112,0.477,0.52,2.505,5,5,5,0,0,0,0,0,0,25,2.079441542,2.302585093,2.564949357,2.833213344,0,0,0,0,0,0,3.912023005,1.96,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,8.618033989,12,2.4,6.006204681,0,0,0,13.96759521,2.793519041,1.318370009,0,77.40700573,3.321928095,3.044522438,3.713572067,4.394449155,5.081404365,5.771441123,6.463029457,7.155396302,7.848153086,8.541105011,62.013073,2.397895273,0,3.433987204,2.397895273,4.615120517,4.262679877,5.860786223,5.888877958,7.147559271,7.6989362,66.04695019,6.004268199,9.6875,1.9375,0,0,0,15,0,2.074,20,1.244407197,2.197825853,3.026067712,4.182732976,0,0,0,0,0,0,99.86866233,109.3267203,25.7809415,4.249924399,0,0,0,0,0,0,340.9171812,439.607417,265.3210956,130.0150029,0,0,0,0,0,0,9.128588657,15.87127804,21.14772958,28.10154092,0,0,0,0,0,0,2.460744665,3.44263887,2.714908475,1.859697059,0,0,0,0,0,0,173.6525284,323.0451618,494.4803382,773.461161,0,0,0,0,0,0,3.402685203,5.186608955,4.897622834,4.182732976,0,0,0,0,0,0,0.505599503,0.718170762,0.59157297,0.428311857,0,0,0,0,0,0,179.5646658,55.28408616,9.194608437,93.30814888,-28.72756575,-5.64981386,86.25651692,84.01165191,14.8444223,0.658052602,0.202600198,0.033695582,0.341947398,-0.105278226,-0.020704935,48.99831577,15.0855242,2.508958684,25.46125722,-7.838971724,-1.54168061,0.199585414,0.260744154,5.836944841,5.403834276,272.8728147,0,1,0,363.0319831,19.0533982,7.133701989,422.0034487,20.54272253,7.500761101,501.1588456,22.38657735,7.943132371,1.133512128,1.048099936,114.7216476,59.87829147,58.17281505,1.915913845,1.972083481,1.029317412,2.647276617,3.35080253,4.40119956,0.313476256,2.000046889,2.526586398,0.919070024,1.262229075,3.696185317,1.050895639,3.295245943,0.687421678,2.85E-16,3.70E-53,9.72E-112,4.95E-192,4.87E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.167859467,2.526543846,0.077225862,0.123608814,0.308597818,0.088194389,0.023208687,0.004841567,2.01E-18,2.60E-55,6.84E-114,3.49E-194,3.43E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.541847981,2.52654683,0.244183682,0.201304259,0.997243949,0.284702238,0.241852409,0.050452862,2.09E-17,2.71E-54,7.13E-113,3.64E-193,3.58E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.887881688,2.526581776,0.865806361,1.137788314,3.487797523,0.991959758,2.936004809,0.61248034,2.54E-16,3.29E-53,8.66E-112,4.41E-192,4.34E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.798579371,2.526550571,0.36024412,0.300579681,1.470819016,0.419598716,0.525335749,0.109590358,4.55E-17,5.89E-54,1.55E-112,7.90E-193,7.77E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.415344142,2.526605803,1.118241779,1.785124959,4.468889348,1.269108678,4.805806516,1.002539913,4.16E-16,5.39E-53,1.42E-111,7.22E-192,7.11E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.030807127,2.277282755,0.499739845,0.445046473,2.041987185,0.558975927,0.912810511,0.190421518,7.90E-17,1.02E-53,2.69E-112,1.37E-192,1.35E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.646769263,1.53316925,0.150158338,0.494510922,0.460397796,0.56623166,0.462128292,0.181815026,3.330096851,3.002270278,6.711483296,0.432363076,1.210174978,0.881312778,0.869428492,0.025188273,0.49625436,0.489562491,0.150020099,0.156808078,0.005116061,1.775929544,0.81033659,2.605566357,0.478725276,0.311944237,1.133241594,1.101845585,0.067539856,0.492151606,0.478516741,0.26808059,0.239667391,0.036783705,2.302627035,1.399614714,3.78657588,0.456002521,0.544531686,1.622223093,1.512558716,0.146209804,0.494430734,0.461006578,0.549478585,0.449812919,0.172378864,3.280991614,2.912043514,6.551791248,0.433155969,1.171670368,1.267686177,1.214824659,0.089174764,0.492939797,0.472384594,0.33554431,0.290672939,0.064123577,2.571685599,1.761393744,4.470409945,0.447986587,0.690340826,1.725909704,1.599619546,0.162888894,0.49475425,0.45855155,0.62195895,0.502973903,0.213950517,3.488418143,3.302490677,7.240612298,0.4299587,1.33888337,1.619455252,1.513634795,0.145982148,0.493876059,0.461604596,0.547610813,0.450614036,0.171842437,3.279072195,2.908639034,6.545551987,0.433220982,1.170067287 +UMLS0035,L,"1,3-cyclopentadiene",C1C=CC=C1,7612,,UML,[1],C5H6,PubChem,,14.2,0,1.0335,1.06812225,43.4114,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1701.970378,1446.800888,977.687261,648.773499,289.634857,56.556864,3.048192,4184.657049,5188.491512,6800.056683,6462.249813,4847.489258,3531.910628,2058.624615,707.6164209,93.25123329,148.486212,153.276228,258.467752,318.08816,274.113716,210.805932,166.456036,82.21824,20.155392,30.43545486,38.46263172,53.49649503,54.1472998,42.43996687,31.74308232,20.37324227,8.011080479,1.333838715,3360.161029,2978.619777,5408.105323,7125.020574,6285.269863,4832.6429,4030.154205,2091.831407,554.7529561,43.27777778,52.41666667,76.33333333,82.83333333,67.66666667,53.5,37.5,16,3,62.40808843,68.74581643,47.27695494,32.15113084,25.06890413,21.6257833,12.06811904,4.713072,1.016064,199.2693833,247.0710244,188.8904634,143.6055514,124.2945964,117.7303543,85.77602562,58.96803508,31.08374443,7.070772,7.298868,7.179659778,7.068625778,7.028556821,7.0268644,6.935668167,6.85152,6.718464,1.449307374,1.831553891,1.486013751,1.203273329,1.088204279,1.058102744,0.848885095,0.66759004,0.444612905,160.0076681,141.839037,150.2251479,158.3337905,161.1607657,161.0880967,167.9230919,174.3192839,184.917652,2.060846561,2.496031746,2.12037037,1.840740741,1.735042735,1.783333333,1.5625,1.333333333,1,0.052276906,-0.001172414,-0.019610677,-0.009912737,-0.001743149,-0.001491751,2.81E-06,0.003530592,0.004258875,622.6251891,4.05E-13,-116.1245392,-54.35616731,-84.00498584,-163.0685019,-19.76587902,59.29763706,66.70984169,1157.798126,-2.84E-14,-215.9385394,-101.0776142,-156.2108583,-303.2328426,-36.75549607,110.2664882,124.0497992,0.121968,1.88E-15,-0.022748,-0.010648,-0.016456,-0.031944,-0.003872,0.011616,0.013068,5.175896322,1.02E-14,-0.965345743,-0.451863965,-0.698335218,-1.355591894,-0.164314169,0.492942507,0.55456032,28.11555097,4.40E-14,-5.243773395,-2.454532227,-3.793367988,-7.363596682,-0.892557174,2.677671521,3.012380461,4.145502646,0.088624339,-0.143613001,-0.534013605,-0.489795918,-1.168178382,-0.364701436,0.139077853,0.399848828,0.002489376,-5.58E-05,-5.45E-04,-2.20E-04,-4.47E-05,-4.97E-05,1.17E-07,2.94E-04,0.001419625,29.64881853,1.93E-14,-3.225681646,-1.207914829,-2.153973996,-5.435616731,-0.823578293,4.941469755,22.2366139,55.13324411,-1.35E-15,-5.998292762,-2.246169204,-4.005406623,-10.10776142,-1.531479003,9.188874018,41.34993308,0.005808,8.94E-17,-6.32E-04,-2.37E-04,-4.22E-04,-0.0010648,-1.61E-04,9.68E-04,0.004356,0.246471253,4.84E-16,-0.02681516,-0.010041421,-0.017906031,-0.045186396,-0.006846424,0.041078542,0.18485344,1.33883576,2.09E-15,-0.145660372,-0.054545161,-0.097265846,-0.245453223,-0.037189882,0.223139293,1.00412682,0.197404888,0.004220207,-0.00398925,-0.011866969,-0.01255887,-0.038939279,-0.015195893,0.011589821,0.133282943,-0.022427003,-0.218826293,-0.088489248,-0.017954752,-0.019974893,4.70E-05,0.118188631,0.570273371,6.50E-16,-0.108796296,-0.040740741,-0.072649573,-0.183333333,-0.027777778,0.166666667,0.75,-2.45E-17,-0.108796296,-0.040740741,-0.072649573,-0.183333333,-0.027777778,0.166666667,0.75,1.54E-14,-0.108796296,-0.040740741,-0.072649573,-0.183333333,-0.027777778,0.166666667,0.75,1.96E-15,-0.108796296,-0.040740741,-0.072649573,-0.183333333,-0.027777778,0.166666667,0.75,1.56E-15,-0.108796296,-0.040740741,-0.072649573,-0.183333333,-0.027777778,0.166666667,0.75,0.02137843,-0.020208466,-0.060114869,-0.063619852,-0.197255903,-0.076978302,0.058710913,0.675175495,1.08103745,1.135884545,0.984899871,0.967972223,1.041064875,0.95201655,0.782663158,0.287552565,1.111111111,1.134259259,0.99382716,0.997150997,1.101851852,0.891203704,0.648148148,0,1.111111111,1.134259259,0.99382716,0.997150997,1.101851852,0.891203704,0.648148148,0,1.111111111,1.134259259,0.99382716,0.997150997,1.101851852,0.891203704,0.648148148,0,1.111111111,1.134259259,0.99382716,0.997150997,1.101851852,0.891203704,0.648148148,0,1.111111111,1.134259259,0.99382716,0.997150997,1.101851852,0.891203704,0.648148148,0,1.091257179,0.973463093,0.978302489,0.96043395,1.206126356,1.030232929,0.804084237,0,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,42.5255533,20.93370521,33.67217425,42.48028581,4.720031757,20.93370521,-0.135802469,0.446314879,0.049590542,-0.726057512,36.50784149,4.056426832,3.237774366,0,11.85,12.15009716,-0.210044223,0.090072698,5.287292424,8.444005922,9,21,18,15,3,3,0,0,0,6,13.118484,3.782771282,3.217181512,2.666935933,2.619181914,2.057455151,1.358834672,0.941428501,0.749263518,1.986993095,1.704083039,1.231816315,1.082250302,0.859123734,0.6145015,0.310513972,0.232410074,3.795009657,3.24984449,2.700116221,2.645815032,2.119778364,1.464765672,1.053336623,0.876009767,1.953168085,1.634195773,1.142552134,1.007167592,0.756638472,0.468245882,0.150156259,0.064507002,3.850861647,3.395068557,2.855919381,2.771820215,2.380138286,1.89267219,1.517793787,1.389965584,1.862480449,1.424178606,0.888893523,0.798620231,0.429056668,0.029582283,0.396843083,0.517527975,3.804124236,3.274026461,2.725091602,2.665925019,2.165054536,1.540896411,1.134811365,0.967572151,1.932500126,1.58918854,1.086148251,0.960278991,0.689411384,0.36961218,0.041902902,0.049437603,3.879525295,3.466046858,2.937335231,2.838078588,2.497666914,2.078051399,1.721464227,1.609830081,1.836357816,1.358132532,0.814930271,0.738564276,0.316540888,0.209646882,0.594311107,0.732373528,3.840167169,3.247866331,2.760003471,2.756006987,2.202509977,1.579410962,1.254613319,1.084563756,1.913739634,1.574874618,1.035303012,0.85935819,0.618019006,0.294932158,0.088737885,0.180833734,0,0,0,5,1,1,2,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.65464793,0.637136847,0.219416097,0.297409508,0.242502443,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,5.800964908,3.471343774,2.23559856,1.381499797,0.933352372,0.533909221,0.197141522,0.087630571,0.644551656,0.385704864,0.223559856,0.125590891,0.077779364,0.044492435,0.03285692,0.021907643,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,2.6391,40.437,37.50463196,54.26687178,75.00926391,8.334362657,37.50463196,0.136437528,0.015159725,-1.792699594,35.3218919,3.924654656,3.208052645,81,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,3,0,0,5,0,0,0,0,0,0,0,0,1,0,2,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.01601852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.05600907,0,0.899893707,0,0,2.05600907,0,0,0,0,0,0,0,0,2.201388889,0,2.449259259,0,0,10.57157407,0,0,0,0,1.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0,0.25461593,0,0,0.396597222,0,0,0,0,0,0,0,0,2.201388889,0,1.209166667,0,0,2.054722222,0,0,0,0,1.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.170138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.427953515,0,0.359305556,0,0,0.427953515,0,0,0,0,0,0,0,0,2.201388889,0,1.240092593,0,0,2.170138889,0,0,0,0,1.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.66666667,1.851851852,0.427953515,2.201388889,0.144097222,1.209166667,5.5813325,0.290833333,0.201388889,1.545925926,0.290833333,0.201388889,1.545925926,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.11111,0.11111,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.09633,0.56626,9.45555,4.35922,0.48436,2.44966,0.27218,4.43185,1.98218,0.22024,-0.01785,-0.00198,0.06815,0.00757,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.350852404,3.100916686,3.558518613,3.784941827,3.784941827,20.68979086,49.36790048,65.1192504,74.72889087,79.48377838,79.48377838,0.224307135,0.535219151,0.705986473,0.810168818,0.861718647,0.861718647,3.407089287,2.041465019,1.291400737,0.83379881,0.607375595,0.607375595,0.214882485,0.512730999,0.676323238,0.776128183,0.825512057,0.825512057,6.75154531,16.98424291,20.28133333,23.2313996,23.45959458,23.45959458,33.82580122,25.97128157,21.0758509,17.00634036,16.43066217,16.43066217,7.111111111,3.92,2.380165289,3,6,3,2.45,1.1391,0,2.085481947,0.333333333,0,9.563073858,4.445544946,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,4.418,10,11,12,12,6,4,2,0,0,75,2.564949357,2.970414466,3.392829132,3.820455812,4.218588165,3.49839971,3.270044111,2.784239339,0,0,5.534870605,3.365,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.222222222,3,0.333333333,0,3,6,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.04,0,0,0,0,0.111111111,0.044444444,0.0234375,0.030222222,0.030092593,0.04,0,0,0,0,0.27930787,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,0,133.0544855,4.169925001,3.663561646,4.394449155,5.153291594,5.905361848,6.673297968,7.430707083,8.200562797,8.959440144,9.729669736,78.11034197,2.944438979,0,4.077537444,0,5.433722004,0,6.886531643,0,8.379997952,8.639410824,120.0939004,5.718757161,17.70058553,1.966731726,0,0,0,94,8,3.507,38,1.234633511,2.166449137,2.958666532,3.782312058,4.72259859,5.575264779,6.787610533,7.865256659,0,0,94.43903682,111.1583113,102.4154583,107.3888626,114.0098427,74.3429148,32.63329359,7.991604142,0,0,327.3861275,432.3747292,447.5452097,507.2652264,590.8444671,508.5544907,405.1002799,244.4816279,0,0,9.042027763,15.59960057,20.97249264,26.67338378,33.26775782,38.77791975,46.52858368,52.84244372,0,0,2.382529912,3.355214785,3.704020774,4.346417111,5.212510633,4.948853681,4.57011008,3.496994611,0,0,173.2140676,322.309064,464.1200062,603.0726964,754.7526436,927.7201056,1181.368676,1454.424794,0,0,3.173893953,4.72326828,5.588418796,6.801800452,8.672114792,9.00954508,9.108103832,7.865256659,0,0,0.490292779,0.699191032,0.781621332,0.922869701,1.111688981,1.073116906,1.014351197,0.805402282,0,0,268.8050085,132.8104995,11.29096632,82.11242896,-40.56990144,-4.86674546,186.6925796,173.3804009,16.15771178,0.766006416,0.378466515,0.032175564,0.233993584,-0.115610959,-0.013868634,94.32836477,46.60552014,3.962196969,28.81468316,-14.23668585,-1.707825846,0.125544653,0.131518276,3.057812665,1.166372427,350.9174375,0,1,0,664.8026547,25.78376727,8.727655225,782.1086491,27.96620548,9.213451688,1090.582516,33.02396881,10.29325765,2.110422115,2.110422115,623.668647,553.177662,111.3475087,1.127429197,5.601101045,4.968029089,4.201869872,4.443439901,7.963231373,0.792132121,3.755217936,3.769874126,3.77738705,11.89504989,3.796372138,4.371070036,2.646083883,7.427906738,4.514606055,2.005039305,3.988160472,2.07491926,1.732791107,1.271591476,1.718141754,4.99E-13,2.93E-47,3.44E-103,8.03E-181,3.70E-280,0,0,0,0,0,0,0,0,0,0,0.315259028,3.769728571,0.299181019,4.127939628,0.961062659,1.167259603,0.280257261,1.530188432,0.510844119,0.158513821,1.112247709,0.32148526,0.082699695,0.068488127,0.012101013,3.52E-15,2.06E-49,2.42E-105,5.65E-183,2.61E-282,0,0,0,0,0,0,0,0,0,0,1.017427978,3.769738649,0.976899592,4.812217599,1.244061728,1.574726564,0.759790846,2.47879041,0.928602371,0.477113291,1.683262596,0.602325408,0.308293652,0.246277366,0.126101884,3.67E-14,2.15E-48,2.52E-104,5.89E-182,2.72E-281,0,0,0,0,0,0,0,0,0,0,3.544626116,3.76985827,3.553042159,11.10075424,3.518170663,4.087731858,2.500053209,6.976554339,4.12817055,1.871366158,3.80643173,1.940309373,1.592426015,1.173956564,1.53083337,4.45E-13,2.61E-47,3.06E-103,7.15E-181,3.30E-280,0,0,0,0,0,0,0,0,0,0,1.49944495,3.769751397,1.451710045,5.549524496,1.526145433,1.927630529,1.089979825,3.205764363,1.333998624,0.713136992,2.080003149,0.817997969,0.4961818,0.3884523,0.273910142,7.96E-14,4.66E-48,5.48E-104,1.28E-181,5.91E-281,0,0,0,0,0,0,0,0,0,0,4.534944655,3.76994072,4.620992231,15.19794117,4.945221789,5.519156461,3.188128231,9.20158846,6.1058702,2.523394821,4.66745514,2.604277482,2.297176196,1.660319128,2.505748275,7.28E-13,4.27E-47,5.01E-103,1.17E-180,5.40E-280,0,0,0,0,0,0,0,0,0,0,2.027450266,3.133978895,1.982105109,6.067799633,1.731562731,2.304326115,1.522146935,3.962951826,1.752456214,0.93657141,2.666803348,1.16671977,0.772666025,0.596597235,0.501010135,1.46E-13,8.53E-48,1.00E-103,2.34E-181,1.08E-280,0,0,0,0,0,0,0,0,0,0,5.82067991,1.379224787,0.428798298,0.762997316,0.180794139,0.550262161,0.412913493,0.307145907,7.628702995,11.11533289,22.18643977,0.644495974,1.27032156,4.63341997,0.756982164,0.17066108,0.833189588,0.136121841,0.348869054,0.124390932,0.048613373,5.561063214,4.427348126,10.58699079,0.749784382,0.52187336,5.048693385,0.974700008,0.26112591,0.803353947,0.155095396,0.414095341,0.206226152,0.113914545,6.284519304,6.493825568,14.06333542,0.70503092,0.734236038,5.784881323,1.360471187,0.421034908,0.764549977,0.17980459,0.543518918,0.401761232,0.296136106,7.566387418,10.8786072,21.75860855,0.646824965,1.241416256,5.255605949,1.083147384,0.306123886,0.790925968,0.163004876,0.448688989,0.254666672,0.156581472,6.644877219,7.633039638,16.02055642,0.686388953,0.859937133,5.935375438,1.439306783,0.453664712,0.758190138,0.183858329,0.572147888,0.449670752,0.343754749,7.828346933,11.88845922,23.59238491,0.637285206,1.365573389,5.796311733,1.362526877,0.420032466,0.76479883,0.179779662,0.545667976,0.402972355,0.294802094,7.578871076,10.90457516,21.80070746,0.647198245,1.243442425 +UMLS0036,L,Propylbenzene,CCCC1=CC=CC=C1,7668,"Co optima database values referenced from their api report but sandia values averaged between that and independent api report, independent api report values match UMLs so I think we should use those ","Sandia, UML",[9],C9H12,PubChem,,12.3,0,0.7455,0.55577025,46.323,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,1895.678915,1643.557617,1174.44399,955.505213,648.773499,289.634857,56.556864,4670.34144,5841.481647,7713.603795,7469.048158,5854.287603,4680.183514,3531.910628,2058.624615,707.6164209,169.463656,175.052008,301.19726,380.97306,336.998616,273.31538,210.805932,166.456036,82.21824,34.11358067,43.47862034,61.18418518,63.16882866,51.46149573,41.10210406,31.74308232,20.37324227,8.011080479,3856.790689,3411.659229,6332.307522,8603.975729,7764.225018,6348.860072,4832.6429,4030.154205,2091.831407,47.52777778,57.66666667,85.58333333,95,79.83333333,65.5,53.5,37.5,16,60.70275442,67.17251842,45.13521226,30.43625217,24.46758312,24.50013367,21.6257833,12.06811904,4.713072,194.59756,243.3950686,183.6572332,138.3157066,121.9643251,120.0047055,117.7303543,85.77602562,58.96803508,7.060985667,7.293833667,7.171363333,7.055056667,7.0208045,7.008086667,7.0268644,6.935668167,6.85152,1.421399194,1.811609181,1.456766314,1.169793123,1.072114494,1.053900104,1.058102744,0.848885095,0.66759004,160.6996121,142.1524679,150.7692267,159.3328839,161.7546879,162.7912839,161.0880967,167.9230919,174.3192839,1.980324074,2.402777778,2.037698413,1.759259259,1.663194444,1.679487179,1.783333333,1.5625,1.333333333,0.056537236,-0.001083464,-0.021760538,-0.011914902,-0.002337638,0.009316995,-0.00738639,-8.34E-04,0.00347394,706.2183858,-4.97E-14,-156.3769283,-45.39975338,-80.71067267,12.6110426,-166.4657624,-30.26650225,50.44417042,1313.243245,2.42E-13,-290.7895757,-84.42278004,-150.0849423,23.45077223,-309.5501935,-56.28185336,93.80308893,0.138343333,2.24E-15,-0.030633167,-0.0088935,-0.015810667,0.002470417,-0.0326095,-0.005929,0.009881667,5.870808328,1.36E-14,-1.299964701,-0.377409107,-0.670949523,0.104835863,-1.383833392,-0.251606071,0.419343452,31.89032402,-1.08E-13,-7.061428889,-2.050092258,-3.644608459,0.569470072,-7.517004947,-1.366728172,2.277880287,4.415509259,0.258101852,-0.026909722,-0.327256944,-1.030092593,0.189380787,-1.172164352,-0.474537037,0.028356481,0.002355718,-4.51E-05,-5.18E-04,-2.21E-04,-4.87E-05,2.39E-04,-2.46E-04,-3.47E-05,2.89E-04,29.42576608,-2.07E-15,-3.723260197,-0.840736174,-1.681472347,0.323360067,-5.548858746,-1.26110426,4.203680868,54.71846854,1.01E-14,-6.923561326,-1.563384816,-3.126769631,0.601301852,-10.31833978,-2.345077223,7.816924078,0.005764306,9.32E-17,-7.29E-04,-1.65E-04,-3.29E-04,6.33E-05,-0.001086983,-2.47E-04,8.23E-04,0.244617014,5.67E-16,-0.030951541,-0.006989058,-0.013978115,0.002688099,-0.04612778,-0.010483586,0.034945288,1.328763501,-4.50E-15,-0.168129259,-0.037964671,-0.075929343,0.014601797,-0.250566832,-0.056947007,0.189823357,0.183979552,0.010754244,-6.41E-04,-0.006060314,-0.021460262,0.004855918,-0.039072145,-0.019772377,0.00236304,-0.019163723,-0.219936344,-0.093664148,-0.020673435,0.101411664,-0.104517172,-0.014747839,0.122890324,-7.04E-17,-0.126530612,-0.028571429,-0.057142857,0.010989011,-0.188571429,-0.042857143,0.142857143,1.84E-16,-0.126530612,-0.028571429,-0.057142857,0.010989011,-0.188571429,-0.042857143,0.142857143,1.62E-14,-0.126530612,-0.028571429,-0.057142857,0.010989011,-0.188571429,-0.042857143,0.142857143,2.32E-15,-0.126530612,-0.028571429,-0.057142857,0.010989011,-0.188571429,-0.042857143,0.142857143,-3.38E-15,-0.126530612,-0.028571429,-0.057142857,0.010989011,-0.188571429,-0.042857143,0.142857143,0.058453473,-0.003482494,-0.032940149,-0.116644823,0.02639379,-0.212372215,-0.107470511,0.012844037,1.11295963,1.158972095,0.980141584,0.927112102,0.844491744,1.156886063,1.025556928,0.834187917,1.15,1.173469388,0.985714286,0.985714286,0.90989011,1.117142857,0.903571429,0.657142857,1.15,1.173469388,0.985714286,0.985714286,0.90989011,1.117142857,0.903571429,0.657142857,1.15,1.173469388,0.985714286,0.985714286,0.90989011,1.117142857,0.903571429,0.657142857,1.15,1.173469388,0.985714286,0.985714286,0.90989011,1.117142857,0.903571429,0.657142857,1.15,1.173469388,0.985714286,0.985714286,0.90989011,1.117142857,0.903571429,0.657142857,1.085190039,0.962890844,0.936478812,1.00078637,0.89041234,1.302228047,1.11231979,0.868152031,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,57.26513058,28.25463308,46.2009397,57.19579725,5.719579725,28.25463308,-0.173333333,0.450610852,0.045061085,-0.797151169,80.75064815,8.075064815,4.391365989,0,11.85,12.1501118,-0.210044168,0.090088222,5.207143774,8.601194161,10,24,21,18,4,3,0,0,0,6,15.304898,3.784364516,3.312688401,2.83232124,2.619181914,2.346140264,1.742618974,1.239038839,0.941428501,1.99069284,1.771563753,1.394274641,1.082250302,1.002126503,0.761949393,0.56588451,0.310513972,3.796666404,3.344032745,2.866363615,2.645815032,2.392041045,1.824240739,1.353628363,1.053336623,1.956282132,1.706284368,1.30894997,1.007167592,0.907101456,0.638963584,0.413706806,0.150156259,3.852871796,3.481937591,3.025869471,2.771820215,2.589553982,2.163417764,1.810352352,1.517793787,1.864580578,1.509374337,1.059237931,0.798620231,0.628239066,0.226572726,0.107555542,0.396843083,3.80583111,3.367146821,2.892024727,2.665925019,2.425626214,1.883475757,1.43557583,1.134811365,1.93532215,1.664191716,1.254445418,0.960278991,0.846765677,0.556404819,0.310901952,0.041902902,3.881770447,3.548754759,3.107887283,2.838078588,2.683638968,2.31466653,2.00573419,1.721464227,1.838264548,1.447043516,0.984138956,0.738564276,0.540146324,0.080971679,0.298059637,0.594311107,3.859363052,3.327500427,2.91562892,2.775160709,2.470270584,1.919815676,1.489213202,1.268619127,1.9107639,1.655585484,1.211380533,0.841987852,0.777206439,0.475473054,0.223638393,0.100960309,0,0,0,5,1,1,3,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.612372436,0.679412342,0.219416097,0.27300174,0.273244345,7.234204519,4.931851653,3.64626437,2.690670698,1.968614081,1.513420006,0.637136847,0.348461713,0.723420452,0.493185165,0.331478579,0.224222558,0.151431852,0.108101429,0.079642106,0.058076952,6.50807169,3.971343774,2.58915195,1.661829883,1.025578078,0.68921783,0.286808989,0.139400107,0.650807169,0.397134377,0.23537745,0.138485824,0.078890621,0.049229845,0.035851124,0.023233351,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,3.0292,45.054,44.38801919,65.39551953,88.77603837,8.877603837,44.38801919,0.155799856,0.015579986,-1.859183073,41.5279113,4.15279113,3.726365763,107,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,4,0,0,5,0,0,0,0,0,0,0,0,1,0,3,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.11191704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.02800985,0,1.137892928,0,0,2.02800985,0,0,0,0,0,0,0,0,2.225138889,0,3.829610733,0,0,10.64955593,0,0,0,0,1.462361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.462361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.389652778,0,0.237999221,0,0,0.389652778,0,0,0,0,0,0,0,0,2.225138889,0,1.233472222,0,0,2.064926304,0,0,0,0,1.462361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.190138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.424047265,0,0.359305556,0,0,0.424047265,0,0,0,0,0,0,0,0,2.225138889,0,1.309537037,0,0,2.190138889,0,0,0,0,1.462361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.16666667,1.816666667,0.424047265,2.225138889,0.134097222,1.233472222,6.28382182,0.266527778,0.225138889,1.749389645,0.266527778,0.225138889,1.749389645,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.1,0.1,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.36978,0.63698,10.92787,4.55808,0.45581,2.94966,0.29497,4.93185,1.98218,0.19822,-0.01785,-0.00178,0.06815,0.00682,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.345437252,3.204986856,3.772055209,3.970175521,3.970175521,23.51685016,56.29049406,76.91968454,90.52932501,95.28421252,95.28421252,0.213713581,0.511549931,0.699021389,0.822701431,0.865912321,0.865912321,3.605093744,2.239525248,1.379975645,0.812907292,0.614786979,0.614786979,0.206076118,0.493268716,0.674040522,0.793300621,0.834967288,0.834967288,6.772325919,17.12993833,21.13574077,23.88501959,24.0846902,24.0846902,37.92632204,28.30072848,21.86929522,17.3948625,16.84298282,16.84298282,8.1,4.760330579,3.111111111,4,6,4,2.56,1.28,0,2.142414564,0.25,0,11.46750113,4.68730728,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,4.917,11,12,13,14,8,6,4,2,0,90,2.63905733,3.020424886,3.425889994,3.842136878,4.261799208,3.626006212,3.49839971,3.270044111,2.784239339,0,5.696883733,3.299305556,0.428571429,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.3,4,0.4,0,4,7,0.75,1,0.444444444,0.1875,0.151111111,0.090277778,0.060408163,0.027777778,0,0,0,0.1,0.04040404,0.020833333,0.025185185,0.018055556,0.020136054,0.027777778,0,0,0,0.252391947,27.56160995,42.5576848,55.12321989,5.512321989,27.56160995,0.162869141,0.016286914,-1.814808216,52.10125507,5.210125507,3.953189038,0,150.3504702,4.321928095,3.761200116,4.48863637,5.241747015,5.993961427,6.758094504,7.518064181,8.285765421,9.048409505,9.817439348,80.91331789,3.044522438,0,4.17438727,0,5.517452896,0,6.955592608,0,8.438366411,8.701346403,134.1095504,5.587897935,19.70454557,1.970454557,0,0,0,133,9,4.076,42,1.236512656,2.16566162,2.945182849,3.752934256,4.767487734,5.70139675,6.658625651,7.775499893,8.599688969,0,92.91185031,106.3617955,98.23942158,106.5508694,131.8079791,138.0204277,86.57532591,36.67440266,8.737834373,0,323.9803594,420.6911052,432.6005465,502.6319918,614.8636585,717.4181332,599.5062014,458.7164725,267.3105341,0,9.050443239,15.57610368,20.83834816,26.46188586,33.50739295,40.18431718,46.28900726,53.27499758,57.77670075,0,2.364973853,3.289913955,3.601334769,4.306348404,5.284995284,6.327195255,5.857758582,5.192529726,3.823532693,0,173.8105839,323.3515289,464.9155743,598.7398684,769.1777534,909.4526376,1109.813217,1355.339557,1590.234292,0,3.059063459,4.534347582,5.320605167,6.498488625,8.262315242,10.50381416,10.68101121,10.36984981,8.599688969,0,0.486961494,0.686538141,0.760893556,0.914382427,1.123512383,1.349201219,1.271076539,1.153193737,0.88060815,0,299.8422422,164.051516,12.10474298,83.62196423,-45.75175899,-4.96214732,216.220278,209.803275,17.0668903,0.781930196,0.427814417,0.031566813,0.218069804,-0.119311681,-0.012940314,114.9787675,62.9078844,4.641735662,32.06603016,-17.54416195,-1.902805884,0.11337201,0.119290386,2.761331203,1.144214144,383.4642065,0,1,0,726.8842238,26.96079049,8.991284665,863.5642905,29.38646441,9.522805011,1209.714033,34.78094353,10.65518283,2.155863452,2.056590322,906.0635104,849.0992892,133.2421099,1.067087821,6.800128814,6.372604653,4.682917228,5.282500282,9.005334831,0.704748575,4.313019043,4.718391434,4.073719855,16.80382595,5.675890491,4.386203333,4.295354568,11.04892899,6.708138006,2.253333605,4.956034934,3.103237048,2.344910266,3.311506518,2.735291752,0.12706343,1.99694085,3.97E-11,1.58E-43,1.25E-97,1.96E-173,6.07E-271,0,0,0,0,0,0,0,0,0.362071409,4.718203773,0.321297953,5.140880753,0.974457577,1.167381582,0.442189248,1.624103257,1.516130279,0.466716066,1.336112737,0.870591671,1.007443431,0.207141069,0.171716765,0.004542459,0.014064618,2.80E-13,1.11E-45,8.81E-100,1.38E-175,4.27E-273,0,0,0,0,0,0,0,0,1.168544053,4.718216744,1.050109271,6.088717852,1.382411918,1.575851612,1.167889273,2.920315765,2.331957044,0.759220074,1.921508578,1.171657439,1.153490169,0.678300196,0.592433308,0.018696975,0.14656416,2.92E-12,1.16E-44,9.18E-99,1.44E-174,4.45E-272,0,0,0,0,0,0,0,0,4.07114486,4.718370983,3.830861083,15.58294502,5.192895999,4.101217038,4.037952865,10.24992547,6.303977553,2.118422304,4.680120039,2.911840832,2.218117702,3.063969527,2.542067865,0.115722777,1.779238345,3.54E-11,1.41E-43,1.11E-97,1.75E-173,5.41E-271,0,0,0,0,0,0,0,0,1.722162239,4.718233171,1.56144243,7.164811825,1.826273413,1.930056125,1.684116276,3.996471068,2.964437087,0.98144745,2.368944012,1.424252817,1.291443359,1.049988168,0.91169533,0.03163657,0.318356941,6.34E-12,2.52E-44,2.00E-98,3.13E-174,9.67E-272,0,0,0,0,0,0,0,0,5.208570274,4.718477331,4.987834001,21.89972696,7.685809543,5.54121987,5.272824386,14.25936922,8.302560158,2.781843474,6.039283815,3.874016161,2.86536231,4.293300112,3.491910207,0.173412805,2.912350554,5.80E-11,2.31E-43,1.83E-97,2.86E-173,8.85E-271,0,0,0,0,0,0,0,0,2.360270699,3.903198195,2.188889187,8.169371273,2.369025778,2.399027317,2.334252143,5.199080202,3.817638826,1.236995723,2.937549482,1.892827422,1.720305088,1.542113335,1.42966056,0.052876773,0.605082658,1.20E-11,4.79E-44,3.79E-98,5.95E-174,1.84E-271,0,0,0,0,0,0,0,0,7.338824502,1.3021147,0.628376278,0.791733167,0.140475821,0.56273327,0.406320533,0.358775434,9.269315479,14.98575247,30.25982617,0.687599751,1.327829237,6.316060999,0.70912196,0.285260366,0.863977835,0.097001225,0.416959952,0.121063333,0.074103684,7.310443325,6.482863817,15.07094769,0.795966753,0.612126968,6.679265393,0.919787576,0.407140703,0.834262281,0.114884502,0.466225371,0.203307865,0.150796945,8.006193671,9.23738909,19.74485384,0.751393421,0.820330182,7.308677453,1.284645654,0.618266188,0.793421984,0.139459719,0.558123876,0.395538583,0.347338117,9.211589296,14.70202185,29.71854993,0.690132976,1.301000576,6.858010555,1.023429983,0.467107496,0.821461472,0.122587782,0.491482014,0.251505795,0.198411375,8.348548034,10.70017358,22.32720601,0.732192208,0.941399184,7.435131557,1.357916974,0.660672533,0.786476722,0.143638358,0.577585588,0.441725458,0.396551605,9.453721064,15.90561699,32.02968043,0.679715084,1.415862651,7.327320093,1.287290407,0.617878745,0.793645126,0.13943048,0.560973763,0.397074103,0.346858202,9.232489245,14.75517359,29.81573543,0.690467689,1.304906068 +UMLS0037,L,n-butylbenzene,CCCCC1=CC=CC=C1,7705,"Sandia values averaged from independent api report and co-optima database, Co-optima values from referenced API report, currently would go with sandia independent api report ",Sandia,,C10H14,PubChem,,7.95,0,1.3512,1.82574144,41.8813,21.54993,6,6,19,9,10,0,8,0,1,0,0,0,0,0,0,0,1420.241609,1515.247705,1870.360395,1658.497609,907.480608,483.830974,235.062745,72.642528,9.144576,3915.363435,4717.44348,6111.757258,5976.267778,4280.709751,2423.521606,1200.270109,688.4196982,279.7536999,140.860484,144.0277,234.950652,240.465652,247.69812,189.926848,97.6177,42.705792,60.466176,27.40053305,33.3364231,44.2997488,45.31708367,36.60336541,22.60180808,10.40151432,6.68126586,4.001516144,3048.982655,2725.472627,4797.242629,4843.779413,5445.887121,4553.332838,2251.220741,918.7352863,1664.258868,51.80555556,57.5,82.83333333,85.44444444,72.16666667,45.33333333,25.5,12,9,74.74955837,79.74987921,60.33420629,51.82805028,26.69060612,17.9196657,18.08174962,12.107088,1.016064,206.0717598,248.286499,197.1534599,186.758368,125.903228,89.76005948,92.32846995,114.7366164,31.08374443,7.413709684,7.580405263,7.57905329,7.514551625,7.285238824,7.034327704,7.509053846,7.117632,6.718464,1.442133318,1.754548584,1.429024155,1.416158865,1.076569571,0.837104003,0.800116486,1.11354431,0.444612905,160.4727713,143.4459277,154.7497622,151.3681067,160.1731506,168.641957,173.1708263,153.1225477,184.917652,2.726608187,3.026315789,2.672043011,2.670138889,2.12254902,1.679012346,1.961538462,2,1,0.168528027,-0.042146141,-0.028367172,-0.008741932,-0.041348131,0.044779837,-0.019000216,-0.002783298,0.013343039,634.7270885,22.25765768,75.02698904,-295.0559369,-326.9421378,163.2437844,-38.90030583,-181.5609412,264.5673463,1006.329214,-48.16277968,260.3753596,-489.5763419,-556.576131,119.9064647,129.6284813,-334.7194591,415.9597989,1.040601684,0.030202947,-0.22507138,-0.204077363,-0.156364277,0.192322238,-0.264412942,-0.024096532,0.131196465,4.564428638,-0.497961093,1.400022584,-2.093851626,-2.380969477,0.03257875,1.076046054,-1.478459467,1.660379956,25.35940736,-3.194029034,7.906488828,-11.27722702,-12.78841011,-0.638221629,6.60077773,-7.993635461,8.704553011,8.049707602,-0.419590643,0.193751924,-1.721144968,-4.069944598,2.549245922,-1.469682979,-1.498153278,2.41066482,0.008869896,-0.002218218,-9.15E-04,-2.73E-04,-0.001216121,0.001658512,-0.001461555,-4.64E-04,0.00148256,33.40668887,1.171455668,2.420225453,-9.220498028,-9.615945229,6.046066089,-2.992331218,-30.26015687,29.39637181,52.96469549,-2.534883141,8.399205148,-15.29926069,-16.36988621,4.440980176,9.971421637,-55.78657651,46.21775544,0.05476851,0.001589629,-0.007260367,-0.006377418,-0.004598949,0.007123046,-0.020339457,-0.004016089,0.014577385,0.240233086,-0.026208479,0.045162019,-0.065432863,-0.070028514,0.00120662,0.082772773,-0.246409911,0.184486662,1.334705651,-0.168106791,0.255048027,-0.352413344,-0.376129709,-0.023637838,0.507752133,-1.332272577,0.967172557,0.423668821,-0.022083718,0.006250062,-0.05378578,-0.119704253,0.094416516,-0.113052537,-0.249692213,0.267851647,-0.25008387,-0.103165815,-0.030799165,-0.137106621,0.186982177,-0.164777019,-0.052298578,0.167145125,0.0350665,0.072447331,-0.27600754,-0.287844906,0.180983698,-0.089572817,-0.905811318,0.879954668,-0.047859864,0.158581203,-0.288857711,-0.309071657,0.083847932,0.188265439,-1.053278528,0.87261439,0.029024504,-0.132564627,-0.116443146,-0.083970686,0.130057325,-0.371371381,-0.073328427,0.266163624,-0.109096041,0.187992502,-0.272372404,-0.29150237,0.005022707,0.344551929,-1.0257118,0.767948598,-0.12595046,0.191089344,-0.26403825,-0.281807235,-0.017710151,0.380422554,-0.998177071,0.724633597,-0.052124955,0.014752235,-0.126952416,-0.28254204,0.222854529,-0.266841767,-0.589357065,0.632219397,1.174190165,1.402294629,1.133757728,0.943606875,0.38147323,1.909894208,0.236509164,0.034323939,0.927229456,0.932050142,1.232503309,1.203859702,0.707721616,1.13149713,1.716633969,0,1.092116359,0.806532896,1.261357676,1.237316499,0.831686154,0.636855068,2.013403459,0,0.85855147,1.476813839,1.17711286,0.904178478,0.347664246,2.298383305,0.205115947,0,1.200816897,0.80348693,1.273360646,1.213129378,0.863495527,0.46626513,1.98443645,0,1.228826394,0.815751824,1.275304251,1.199325287,0.863519452,0.447768964,1.940195742,0,0.951325826,1.115047514,1.121935162,1.182907417,0.484259596,1.727248596,1.118053033,0,29.77475799,15.012379,22.34046901,29.96920243,3.329911382,15.01238041,0.25,0.032004516,0.003556057,-3.097690426,59.76282271,6.640313634,3.681345396,29.78351758,15.01639158,22.34642173,29.97739081,3.330821201,15.01639299,0.249265579,0.032427878,0.003603098,-3.085863102,59.86613559,6.651792843,3.682899897,37.75389609,18.67745081,28.30824187,37.62089793,4.18009977,18.67745084,-0.398994478,0.351517533,0.039057504,-0.94094612,66.09162066,7.343513407,3.771937774,29.79271168,15.02060324,22.3526714,29.98598541,3.331776157,15.02060465,0.2484948,0.032872148,0.003652461,-3.073616583,59.97530688,6.663922987,3.684539633,46.46745615,22.69258094,35.54314199,46.1066914,5.122965711,22.69258094,-1.082294264,0.541959244,0.060217694,-0.551308028,46.72103981,5.191226645,3.459775135,30.69575604,15.43444511,22.97474487,30.83041596,3.425601773,15.43444602,0.173134186,0.075979026,0.008442114,-2.319568153,76.5261945,8.502910501,3.903869785,29.1563173,14.73768246,21.90829204,29.38594693,3.265105214,14.73768439,0.402380952,0.088882201,0.0098758,-2.178399033,50.39335579,5.599261755,3.527873403,0,11.99629191,15.99794303,-0.377471237,0.075619343,4.690131085,7.638298044,9,19,16,13,3,3,0,0,0,6,12.84807,3.800638842,3.079400515,2.642124718,2.619181914,2.052397252,1.144606548,0.941428501,0.314808877,1.956564168,1.463506838,1.328266837,1.082250302,0.725686902,0.310513972,0.083923071,0.083923071,3.792392589,3.008495899,2.652804417,2.645815032,2.100030255,1.053336623,0.961597489,0.446398944,1.940360815,1.437629716,1.236460403,1.007167592,0.6542582,0.150156259,0.105444253,0.270913902,3.856122469,3.214051998,2.899717702,2.771820215,2.338398745,1.517793787,1.470504807,0.956863298,1.848519894,1.156807274,0.922974928,0.798620231,0.364578065,0.396843083,0.663557632,0.943918427,3.795486737,3.00410267,2.67861982,2.665925019,2.136935049,1.134811365,0.941080482,0.541514558,1.931014422,1.422151651,1.176709552,0.960278991,0.606727413,0.041902902,0.116212225,0.399277246,3.875892516,3.258914637,2.998825043,2.838078588,2.434809244,1.721464227,1.565541148,1.207644823,1.828784699,1.10737162,0.826026098,0.738564276,0.272018241,0.594311107,0.780605216,1.159578218,3.838626469,3.239762448,2.792194237,2.722592367,2.197186917,1.49535744,1.230214688,0.603689754,1.897757119,1.256778859,1.082890101,0.889742168,0.539773609,0.067369896,0.43646938,0.52173913,0,0,0,5,1,1,0,0,0,0,0,0,0.083333333,0.142258898,0,0,0,0.027777778,0.039118008,0.49279928,0,0,0,0.234708048,0,0,0,0.90104757,0.937443702,1.069035594,0.339058892,0.292312191,0.274323162,6.690234444,4.325698503,3.534145948,2.712778743,1.73736354,1.373773448,0.686886724,0.11785113,0.743359383,0.480633167,0.321285995,0.226064895,0.144780295,0.098126675,0.08586084,0.058925565,5.717649367,2.933739641,2.017176675,1.256685203,0.674352013,0.438258185,0.185561108,0.022680461,0.635294374,0.325971071,0.183379698,0.104723767,0.056196001,0.031304156,0.023195138,0.01134023,11.42393812,18.76984705,17.97647059,18.2,12.47301198,143.5238802,0.601259901,0.987886687,0.946130031,0.957894737,0.656474315,7.553888434,1.72322,36.634,36.40309101,49.22239066,72.80618203,8.089575781,36.40309101,0.096723867,0.010747096,-2.102305585,57.28426909,6.364918788,3.643223445,77,0,0,1,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,4,0,0,0,0,0,0,0,0,2,0,0,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.969166667,10.13787037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.922361111,0,0,0,0,1.922361111,0,0,0,0,0,0,0,0,3.726296296,0,0,0,0,7.960648148,0,0,0,0,2.177222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.969166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.969166667,0.917222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.459097222,0,0,0,0,0.459097222,0,0,0,0,0,0,0,0,1.671296296,0,0,0,0,1.953703704,0,0,0,0,0.917222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.969166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.969166667,2.02662037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.502083333,0,0,0,0,0.502083333,0,0,0,0,0,0,0,0,2.055,0,0,0,0,2.02662037,0,0,0,0,1.26,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.969166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.83333333,2.092592593,0.535972222,4.969166667,0.210555556,0.917222222,4.425438241,0.749444444,1.469166667,3.154814815,0.749444444,1.469166667,3.154814815,4.33333,0.48148,0,0.01852,0.52982,0.78519,0.43333,0.47467,0.78519,0.09649,0.05516,-0.04133,0,0.61321,0.10108,0,0.23077,0.23077,0,11.5,1.27778,5,0.55556,6.5,0.72222,1.5,0.16667,0.5,0.05556,4.33312,0.48146,9.88205,5.54893,0.61655,1.80047,0.20005,4.32569,2.52521,0.28058,0.08831,0.00981,0.17431,0.01937,0.315789474,9.01,0,1,1,1,0,0,0.25,1.236386411,2.589518303,3.115834092,3.536886724,3.642149882,3.431623566,23.49134181,49.20084775,59.20084775,67.20084775,69.20084775,65.20084775,0.291056381,0.60959569,0.733495118,0.83261466,0.857394546,0.807834775,3.011541103,1.658409211,1.132093421,0.71104079,0.605777632,0.816303948,0.277252017,0.580683487,0.698706552,0.793125005,0.816729618,0.769520392,10.3725649,20.99285349,23.83742981,26.57591929,25.52493509,24.15569035,31.88355406,23.55622644,19.77549534,16.41056479,17.35706059,19.01342823,7.111111111,3.239669421,2,1,7,0,2.23,1.0569,0.166666667,2.746356192,1.590541458,0,3.301927249,5.656854249,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.34,0.338,0.714,0.686,4.256,11,12,12,14,8,2,0,0,0,77,2.564949357,3.068052935,3.504054767,3.899444223,4.385925275,3.876395828,2.784239339,0,0,0,5.579258017,3.426948052,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,3,0.333333333,0,3,6,1,2,0.888888889,0.25,0.342222222,0.118055556,0,0,0,0,0,0.222222222,0.080808081,0.027777778,0.085555556,0.059027778,0,0,0,0,0,0.475391414,20.69044905,31.20338714,41.3808981,4.597877567,20.69044905,0.05682378,0.006313753,-2.581020349,58.78058292,6.53117588,3.66643042,9.23,124.5487276,4.169925001,3.713572067,4.465908119,5.252273428,6.02827852,6.816735881,7.598399329,8.386400901,9.169830829,9.957265258,79.38866433,2.944438979,0,4.143134726,0,5.556828062,0,7.055312843,0,8.590257762,8.836955157,122.0731649,6.424903418,17.54959443,1.949954937,2.76434683,2.76434683,0,90,9,1.659,40,1.232858092,2.141459454,3.028065217,3.784129372,4.528924712,5.455902127,6.48054986,6.807529447,0,0,107.7253835,140.6203951,164.9570188,108.5779817,89.72169624,106.8374791,78.46058745,6.9168856,0,0,324.5091875,449.5243586,579.7866957,496.7068332,423.4057257,521.5415296,743.5563632,211.6035055,0,0,9.411534328,16.29986653,22.8100189,27.73975314,32.00709172,41.3005216,46.12616906,45.73614152,0,0,2.250805896,3.21413555,4.357898979,4.184329393,3.873882184,4.42761881,7.216379423,3.026715442,0,0,175.5281077,327.5263388,455.9731467,603.120338,760.5709107,945.2071519,992.3183052,1258.832361,0,0,3.873583197,5.945767928,8.285077464,8.28969586,7.889117057,11.08944056,12.96109972,6.807529447,0,0,0.493409124,0.715480464,0.971354642,0.938866407,0.88223151,1.075696352,1.555331967,0.697091015,0,0,273.8865019,168.4787027,13.52329985,86.19629488,-53.02283917,-9.960285865,187.690207,221.5015419,23.48358571,0.760620903,0.467888786,0.037556084,0.239379097,-0.147251798,-0.027661099,98.62181761,60.66628248,4.86950763,31.03780293,-19.09261222,-3.586527591,0.122193495,0.56679044,1.310401841,11.4766408,339.834324,20.24847277,0.943767175,0.056232825,742.8931548,27.25606638,9.056814073,840.6127648,28.99332276,9.437681718,1240.550271,35.22144617,10.74495966,1.89933118,1.832359198,549.1900111,474.3380327,108.4932437,1.157803029,5.061974299,4.372051352,3.95984945,4.340761948,7.518215746,0.732003698,3.115761959,2.377791108,5.502966898,7.135648652,2.349183696,6.44566867,5.267486123,6.24336785,2.759535787,4.081149664,3.801878104,0.177234753,1.453568525,1.628516957,8.31E-11,1.38E-42,4.39E-96,2.71E-171,3.21E-268,0,0,0,0,0,0,0,0,0,0,0,0.261598236,2.54530734,0.50505506,2.726779981,0.357352869,2.167498165,1.987574645,0.599228648,0.118697366,1.371134504,0.449273595,0.014870049,0.032233267,0.011469778,5.85E-13,9.69E-45,3.09E-98,1.91E-173,2.26E-270,0,0,0,0,0,0,0,0,0,0,0,0.844192,2.233682337,1.242908144,3.102368406,0.761953864,1.956113199,2.11906107,1.395177784,0.457407727,1.257034709,0.736046758,0.048000435,0.163194823,0.119523931,6.10E-12,1.01E-43,3.22E-97,1.99E-172,2.36E-269,0,0,0,0,0,0,0,0,0,0,0,2.941033175,2.544726291,5.926375845,7.094836017,2.226548347,6.493151573,5.320602095,6.334857265,2.52699152,4.134323728,4.419343754,0.167290759,1.310248705,1.45097929,7.40E-11,1.23E-42,3.91E-96,2.41E-171,2.86E-268,0,0,0,0,0,0,0,0,0,0,0,1.244125009,2.115266136,1.623001463,3.453313176,1.040285548,2.168770269,2.391958475,1.904571174,0.74940718,1.400285754,0.806702919,0.070746883,0.300354695,0.259621949,1.32E-11,2.19E-43,7.00E-97,4.31E-172,5.12E-269,0,0,0,0,0,0,0,0,0,0,0,3.762708961,2.483563954,7.332547814,8.922108901,2.80404607,8.371267475,6.354569662,8.277214339,3.701014677,5.246126024,5.490289074,0.214057592,2.048149328,2.375038931,1.21E-10,2.01E-42,6.40E-96,3.95E-171,4.69E-268,0,0,0,0,0,0,0,0,0,0,0,1.696351744,2.639058853,3.763262353,5.081392872,1.190744676,4.748535825,3.944639014,3.730700631,1.102371044,3.023148369,3.039265164,0.096468896,0.473559224,0.443301402,2.26E-11,3.74E-43,1.20E-96,7.36E-172,8.75E-269,0,0,0,0,0,0,0,0,0,0,0,5.480206837,1.449226293,0.290732513,0.759014004,0.200719258,0.542667716,0.416198797,0.352097473,7.220165643,9.956671348,19.48585201,0.638521007,1.310963987,3.784055309,0.760047697,0.164586463,0.803632377,0.16141385,0.263054274,0.114256851,0.096778985,4.708689469,3.623960362,8.806010789,0.705448565,0.47409011,4.250978253,1.025981332,0.199360064,0.776247284,0.187348694,0.327465905,0.208382575,0.167438681,5.476319649,5.413439329,11.75925281,0.664370926,0.703287161,5.428733378,1.404548368,0.291259038,0.761976602,0.197142302,0.532943964,0.390717797,0.355763519,7.124540783,9.615173673,18.96054092,0.642964903,1.27942528,4.543949753,1.160128703,0.217107643,0.767405327,0.195928431,0.373270635,0.266629546,0.198863842,5.9211861,6.509965566,13.57564905,0.65110799,0.838764023,5.670308924,1.505948179,0.305974451,0.7578366,0.201269924,0.58095377,0.449435647,0.389290775,7.482231554,10.73494273,20.82994868,0.6367549,1.419680193,5.423041036,1.420335294,0.287916419,0.760456936,0.199169399,0.531566993,0.399677169,0.346644093,7.13129275,9.672856994,19.0218365,0.640685404,1.277888256 +UMLS0038,L,1-methoxy-4-methyl-benzene,CC1=CC=C(C=C1)OC,7731,Co optima database valuese measured by NREL,Sandia,,C8H10O,PubChem,,11.5,0,1.626,2.643876,49.2166,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2005.6539,1915.914515,1263.172182,697.287531,421.79189,269.399257,84.835296,4670.34144,5841.481647,7855.078337,8077.010367,6523.510579,4249.12541,2367.4049,1695.218043,1061.424631,169.463656,175.052008,300.821808,362.062604,340.19196,312.780396,166.87892,105.590692,123.32736,34.11358067,43.47862034,61.52167806,65.85463273,56.81294697,40.41907011,22.04859796,15.70279472,12.01662072,3856.790689,3411.659229,6369.569539,7964.771286,7509.864184,7511.022367,4003.826014,2397.690441,3137.747111,48.05555556,58.33333333,86.33333333,99.44444444,93,69.58333333,34,25,24,60.70275442,67.17251842,47.75366429,37.56695127,26.31608712,15.49527847,17.57466208,17.95995047,4.713072,194.59756,243.3950686,187.0256747,158.3727523,135.9064704,94.42500911,98.64187085,113.0145362,58.96803508,7.060985667,7.293833667,7.162424,7.099266745,7.0873325,6.950675467,6.953288333,7.039379467,6.85152,1.421399194,1.811609181,1.464801859,1.291267308,1.183603062,0.898201558,0.918691582,1.046852981,0.66759004,160.6996121,142.1524679,151.6564176,156.171986,156.4555038,166.9116082,166.8260839,159.8460294,174.3192839,2.002314815,2.430555556,2.055555556,1.949891068,1.9375,1.546296296,1.416666667,1.666666667,1.333333333,0.050013515,-0.002270437,-0.008026888,-0.00814019,-0.027731218,0.009794285,0.010634473,-0.004264409,1.17E-04,706.2183858,-7.82E-14,15.13325112,-17.65545965,-484.264036,-2.522208521,40.35533633,-168.9879709,75.66625563,1313.243245,2.42E-13,28.14092668,-32.83108113,-900.5096538,-4.690154447,75.04247115,-314.2403479,140.7046334,0.138343333,2.23E-15,0.0029645,-0.003458583,-0.094864,-4.94E-04,0.007905333,-0.033103583,0.0148225,5.870808328,1.35E-14,0.125803036,-0.146770208,-4.025697139,-0.020967173,0.335474762,-1.404800564,0.629015178,31.89032402,-1.08E-13,0.683364086,-0.7972581,-21.86765075,-0.113894014,1.822304229,-7.630898961,3.41682043,4.49537037,-0.49537037,0.447916667,0.704282407,-3.550925926,-0.977430556,0.768518519,-0.316550926,0.086805556,0.002083896,-9.46E-05,-1.91E-04,-1.60E-04,-5.78E-04,2.18E-04,4.43E-04,-2.84E-04,6.49E-06,29.42576608,-3.26E-15,0.360315503,-0.346185483,-10.08883408,-0.056049078,1.681472347,-11.26586473,4.203680868,54.71846854,1.01E-14,0.670022064,-0.643746689,-18.76061779,-0.104225654,3.126769631,-20.94935653,7.816924078,0.005764306,9.31E-17,7.06E-05,-6.78E-05,-0.001976333,-1.10E-05,3.29E-04,-0.002206906,8.23E-04,0.244617014,5.62E-16,0.00299531,-0.002877847,-0.08386869,-4.66E-04,0.013978115,-0.093653371,0.034945288,1.328763501,-4.51E-15,0.016270573,-0.015632512,-0.455576057,-0.002530978,0.075929343,-0.508726597,0.189823357,0.187307099,-0.020640432,0.010664683,0.013809459,-0.073977623,-0.021720679,0.032021605,-0.021103395,0.004822531,-0.04539647,-0.091711069,-0.076592854,-0.277237249,0.104444141,0.212631992,-0.136424205,0.003115833,-1.11E-16,0.012244898,-0.011764706,-0.342857143,-0.001904762,0.057142857,-0.382857143,0.142857143,1.84E-16,0.012244898,-0.011764706,-0.342857143,-0.001904762,0.057142857,-0.382857143,0.142857143,1.62E-14,0.012244898,-0.011764706,-0.342857143,-0.001904762,0.057142857,-0.382857143,0.142857143,2.30E-15,0.012244898,-0.011764706,-0.342857143,-0.001904762,0.057142857,-0.382857143,0.142857143,-3.40E-15,0.012244898,-0.011764706,-0.342857143,-0.001904762,0.057142857,-0.382857143,0.142857143,-0.110195675,0.056936884,0.073726298,-0.394953656,-0.115962925,0.170957775,-0.112667353,0.025746653,1.139555048,1.019166524,1.073945316,1.461837621,0.978799807,0.62488832,0.78889843,0.557193361,1.15,1.032653061,1.005042017,1.314285714,0.876190476,0.821428571,1.314285714,0.657142857,1.15,1.032653061,1.005042017,1.314285714,0.876190476,0.821428571,1.314285714,0.657142857,1.15,1.032653061,1.005042017,1.314285714,0.876190476,0.821428571,1.314285714,0.657142857,1.15,1.032653061,1.005042017,1.314285714,0.876190476,0.821428571,1.314285714,0.657142857,1.15,1.032653061,1.005042017,1.314285714,0.876190476,0.821428571,1.314285714,0.657142857,1.279093718,0.896719141,0.925183256,1.548532441,1.023274974,0.444129763,0.93800206,0.852729145,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,47.90330554,23.79609721,35.21145022,47.81663887,4.781663887,23.79609721,-0.144444444,4.44E-16,4.44E-17,-35.35050621,79.44653361,7.944653361,4.375084262,0,11.89,12.11015511,-0.156964492,0.065318248,5.499062742,8.366422458,10,24,21,18,4,3,0,0,0,6,15.304898,3.819612023,3.220958077,2.868110111,2.619181914,2.358697108,1.692954427,1.469983674,0.941428501,2.007143858,1.68895318,1.495098636,1.082250302,0.998265407,0.795641239,0.564763347,0.310513972,3.83060556,3.249474872,2.913334396,2.645815032,2.400317283,1.781060768,1.562752625,1.053336623,1.975512742,1.616884266,1.410559618,1.007167592,0.901611951,0.661051036,0.436582117,0.150156259,3.881168252,3.381837113,3.108430974,2.771820215,2.585426489,2.146465415,1.93615817,1.517793787,1.891770834,1.409394393,1.146412189,0.798620231,0.622886063,0.214487985,0.003797392,0.396843083,3.838812445,3.27089294,2.946492122,2.665925019,2.431080677,1.844946852,1.629330305,1.134811365,1.956281337,1.571234051,1.355301317,0.960278991,0.840420913,0.57113121,0.350637418,0.041902902,3.90737822,3.449579908,3.200418815,2.838078588,2.677168039,2.309455932,2.097347768,1.721464227,1.867974208,1.34734449,1.059712184,0.738564276,0.538152491,0.057695502,0.152954976,0.594311107,3.856927041,3.251018072,2.995046797,2.765994816,2.481928701,1.889840822,1.681250695,1.261914887,1.939880605,1.565694996,1.282703987,0.850296122,0.77397203,0.493991063,0.265924794,0.095113692,0,0,0,4,2,2,2,0,0,0,0,0,0.083333333,0.11785113,0,0,0,0.027777778,0.03928371,0.40824829,0,0,0,0.23570226,0,0,0,0.98559856,1.114807748,1.040440115,0.507867787,0.486815711,0.389442649,7.397341225,4.863703305,3.703247927,3.121027034,2.047980757,1.471404521,0.902368927,0.402368927,0.739734123,0.486370331,0.308603994,0.222930502,0.14628434,0.091962783,0.075197411,0.067061488,6.723614639,3.942687549,2.523603362,1.839467948,1.010667982,0.621785024,0.38131685,0.161900753,0.672361464,0.394268755,0.21030028,0.131390568,0.07219057,0.038861564,0.031776404,0.026983459,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.8114,45.198,42.38504202,55.88860613,84.77008404,8.477008404,42.38504202,2.22E-16,2.22E-17,-36.04365339,48.66129513,4.866129513,3.884883953,100,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,4,0,0,4,0,0,0,0,0,0,0,0,2,0,2,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.68462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.523888889,0,1.290555556,0,0,1.523888889,0,0,0,0,0,0,0,0,4.363000756,0,2.285702948,0,0,8.828703704,0,0,0,0,2.855925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.427962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.285972222,0,0,0.380972222,0,0,0,0,0,0,0,0,2.181500378,0,1.142851474,0,0,2.207175926,0,0,0,0,1.427962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.207175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.359305556,0,0,0.380972222,0,0,0,0,0,0,0,0,2.181500378,0,1.142851474,0,0,2.207175926,0,0,0,0,1.427962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.33333333,1.833333333,0.380972222,2.207175926,0.142777778,1.142851474,6.19749274,0.357148526,0.207175926,2.383408919,0.357148526,0.207175926,2.383408919,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.58952,0.65895,11.43218,4.84266,0.48427,2.89931,0.28993,4.86369,1.96438,0.19644,0.05031,0.00503,0.13631,0.01363,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.284159128,2.688721876,2.855388542,3.022055209,2.855388542,23.51685016,54.81981907,64.52932501,68.52932501,72.52932501,68.52932501,0.213713581,0.498184909,0.586421781,0.622772496,0.659123212,0.622772496,3.605093744,2.300803373,1.896240625,1.729573959,1.562907292,1.729573959,0.206076118,0.480381319,0.565464877,0.60051653,0.635568183,0.60051653,6.772325919,16.88939319,17.29712166,19.29712166,19.4650925,17.4650925,37.92632204,28.0806892,27.54135417,24.37142917,23.84310834,27.01303334,8.1,4,2.285714286,2,6,2,2.56,1.28,0.142857143,3.888322594,1.264911064,0,6.580104012,7.559526299,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.894,12,14,14,16,12,6,0,0,0,94,2.63905733,3.113515309,3.590439381,3.986666548,4.466626252,4.1763085,3.640870235,0,0,0,5.7712464,3.403590426,0.428571429,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,0,4,7,0.75,2,0.888888889,0.25,0.382222222,0.180555556,0.040816327,0,0,0,0,0.2,0.074074074,0.022727273,0.063703704,0.060185185,0.020408163,0,0,0,0,0.441098399,26.03949385,39.44261809,52.0789877,5.20789877,26.03949385,1.11E-16,1.11E-17,-36.73680057,53.5839518,5.35839518,3.981249616,0,150.3504702,4.321928095,3.80666249,4.574710979,5.361292166,6.150602768,6.944087208,7.737616283,8.532475815,9.326967184,10.12202049,82.55643538,3.044522438,0,4.234106505,0,5.65248918,0,7.158513997,0,8.703008637,8.947285869,134.1095504,5.587897935,19.56874261,1.956874261,0,0,0,125,11,3.794,44,1.235929323,2.155875194,2.975641686,3.803836732,4.566033795,5.594309301,6.664643899,7.101571633,7.770062243,0,92.76161773,113.0020016,120.975645,110.0616251,77.59777087,107.0996996,124.5612713,34.88035524,7.894880523,0,323.5789178,430.315747,497.9720754,546.4760998,455.6354473,575.2974203,765.3068138,429.4015325,241.522629,0,9.045833162,15.49630435,21.18728354,27.0302283,31.81241711,38.94550368,46.93517949,48.70731116,52.20288346,0,2.362509317,3.318542686,4.006793867,4.685587632,4.265713631,5.27772955,7.045334901,4.825987878,3.454669945,0,173.7497847,323.0910679,460.1962355,589.9496882,756.4085721,930.0175256,1063.968971,1233.898383,1436.821666,0,3.091288087,4.586447867,5.971488447,7.554762251,7.230356102,8.027118635,11.20708468,9.595904344,7.770062243,0,0.486472119,0.691026444,0.84119524,0.993469427,0.919819599,1.135162869,1.511542492,1.070421116,0.795654374,0,319.5529872,163.6354549,11.3677643,95.28941392,-48.79543369,-4.907043392,224.2635733,212.4308886,16.27480769,0.770299724,0.394452097,0.027402609,0.229700276,-0.117624027,-0.011828693,132.5641285,67.88292504,4.715830638,39.53008928,-20.24241488,-2.035649663,0.121147959,0.119640932,3.04720661,1.147576518,414.8424012,0,1,0,729.0594248,27.00110044,9.00024454,865.5271791,29.41984329,9.530014688,1258.155968,35.47049433,10.79555135,2.113369874,2.00345672,775.0858015,710.1285047,130.7156286,1.091472594,5.929557237,5.432621274,4.414610774,5.14982236,8.719547178,0.69317436,4.231360714,4.769035699,4.031030525,10.73286412,7.303408908,6.465956902,5.937996307,8.930645953,6.373713909,5.21506595,2.504294461,3.752799098,3.841630156,3.10071201,2.006713434,0.442036949,3.86E-04,3.52E-27,6.24E-72,2.13E-138,1.40E-226,0,0,0,0,0,0,0,0,0,0.355218392,4.768829469,0.307969799,5.980646177,1.448965751,1.919301943,0.479116068,2.022312659,1.009859546,0.359875331,0.070195457,0.303867386,0.321941761,0.022184003,0.167756177,0.003113302,2.72E-06,2.48E-29,4.39E-74,1.50E-140,9.87E-229,0,0,0,0,0,0,0,0,0,1.146421676,4.768843705,1.013505975,6.588798835,2.059372658,2.654626464,1.431845705,3.112824574,1.796372003,1.143719377,0.318751029,0.734297423,1.010599468,0.228253569,0.541967916,0.032443011,2.83E-05,2.59E-28,4.58E-73,1.56E-139,1.03E-227,0,0,0,0,0,0,0,0,0,3.994066058,4.769013218,3.783855461,10.31391688,6.738188528,6.119427258,5.546658584,8.39464958,5.936253418,4.844532794,2.26744179,3.444877806,3.615620149,2.76284262,1.893723899,0.393846964,3.44E-04,3.14E-27,5.56E-72,1.90E-138,1.25E-226,0,0,0,0,0,0,0,0,0,1.689557927,4.76886175,1.513992834,7.113725146,2.651980601,3.216633583,2.13383055,3.956330449,2.427847973,1.743326858,0.563100838,1.111002881,1.492185395,0.495110495,0.799196569,0.070470555,6.15E-05,5.62E-28,9.94E-73,3.39E-139,2.23E-227,0,0,0,0,0,0,0,0,0,5.109956015,4.769130128,4.968067684,12.42939411,9.63098911,7.82642106,7.451832134,11.04358534,8.117295765,6.670212208,3.480987738,5.002779655,4.690407687,4.521327431,2.425528222,0.644669347,5.63E-04,5.14E-27,9.09E-72,3.10E-138,2.04E-226,0,0,0,0,0,0,0,0,0,2.351936423,4.063910293,2.051071843,7.471117297,3.819363791,4.313713073,3.193763487,5.184129208,3.400638457,2.519395191,0.846704007,1.682555816,1.714018635,0.923483806,1.191548891,0.131515125,1.15E-04,1.05E-27,1.86E-72,6.33E-139,4.17E-227,0,0,0,0,0,0,0,0,0,7.243996809,1.328376478,0.573011576,0.792093162,0.14525102,0.586457691,0.405966166,0.375935773,9.145384863,14.53482409,29.19415895,0.688139742,1.368359629,5.049650915,0.73281729,0.245119385,0.837756538,0.121577211,0.286163529,0.123552658,0.069534908,6.02758759,5.11786655,12.05251144,0.756634808,0.479251095,5.828642935,0.944348538,0.361972385,0.816912748,0.132355056,0.380530556,0.20517268,0.151318422,7.134963857,7.955906306,17.08326406,0.725369123,0.737021658,7.179290805,1.310826002,0.563389403,0.792984578,0.144786558,0.576073108,0.395310053,0.363577973,9.05350621,14.1940429,28.5494947,0.689476868,1.334961134,6.212140915,1.048435134,0.41928886,0.808886743,0.136517393,0.431935113,0.252892358,0.202630106,7.679864909,9.557305448,19.96800994,0.713330115,0.887457577,7.450710944,1.384441226,0.603737927,0.789363036,0.146674155,0.62025587,0.44095643,0.416736848,9.438890097,15.64918785,31.31567777,0.684044554,1.477949148,7.175032745,1.313403603,0.562642729,0.792726777,0.145110168,0.575284757,0.396866256,0.362234173,9.051079077,14.19967085,28.55293401,0.689090165,1.334385187 +UMLS0039,L,p-diethylbenzene,CCC1=CC=C(C=C1)CC,7734,UML source [1] more reliable than sandia independent api soure so use UML data,"Sandia, UML",[1],C10H14,PubChem,,6.5,0,0.0597,0.00356409,29.6417,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1500.364299,1247.39409,1088.949425,546.699218,275.495641,84.835296,9.144576,3346.887898,3979.09551,4674.696811,4282.804084,3581.172724,2742.121004,1881.72051,1061.424631,279.7536999,152.568096,145.6753,259.36554,290.575488,213.496796,191.254088,145.901476,123.32736,60.466176,23.35516286,28.53615172,35.91568508,33.26380117,26.60754845,22.19106228,18.37047215,12.01662072,4.001516144,3350.680532,2804.677982,5510.452524,6473.488352,4465.455747,4038.02074,3507.196353,3137.747111,1664.258868,90.77777778,54.5,97.58333333,97.83333333,97.25,77,31,24,9,69.4856748,68.35965826,44.12836174,32.82616026,40.33146019,22.77913408,13.11884005,4.713072,1.016064,167.3443949,209.4260795,137.4910827,112.7053706,132.6360268,114.2550418,89.60573856,58.96803508,31.08374443,7.6284048,7.667121053,7.628398235,7.646723368,7.907288741,7.968920333,6.947689333,6.85152,6.718464,1.167758143,1.501902722,1.056343679,0.875363189,0.985464757,0.924627595,0.874784388,0.66759004,0.444612905,167.5340266,147.6146306,162.0721331,170.3549566,165.3872499,168.2508642,167.0093502,174.3192839,184.917652,4.538888889,2.868421053,2.870098039,2.574561404,3.601851852,3.208333333,1.476190476,1.333333333,1,0.264974899,-0.162669775,0.060631094,-0.022454392,0.034122883,-0.056470629,0.004961017,0.00415113,0.005241222,715.056216,-13.739645,42.068427,63.328746,-186.406063,-539.106382,-28.866791,97.8336,207.36,931.2646053,-148.2416011,-210.4695091,243.6829002,-173.253281,-347.4233429,-134.0927589,40.28781217,263.877478,1.9334688,0.00145024,0.75963024,-0.59656992,-0.69045088,-1.15689376,0.22982176,0.27724608,0.20903184,4.097118945,-1.072153629,-1.377869305,1.080326084,-0.655980325,-0.09763506,-0.70258381,-0.112758311,0.890094883,23.01673804,-6.548761719,-7.89227958,5.554007487,-3.673159368,1.538504135,-3.884177916,-1.005980191,4.403478133,37.42222222,-0.978888889,10.79888889,-8.224444444,-8.753333333,-22.30666667,3.723333333,3.42,3.61,0.013248745,-0.008561567,0.001783267,-5.91E-04,0.00126381,-0.002352943,2.36E-04,2.31E-04,5.82E-04,35.7528108,-0.723139211,1.237306676,1.666545947,-6.903928259,-22.46276592,-1.374609095,5.4352,23.04,46.56323026,-7.80218953,-6.190279679,6.4127079,-6.416788185,-14.47597262,-6.385369473,2.238211787,29.31971978,0.09667344,7.63E-05,0.022342066,-0.015699208,-0.025572255,-0.048203907,0.010943893,0.01540256,0.02322576,0.204855947,-0.056429138,-0.040525568,0.028429634,-0.024295568,-0.004068128,-0.033456372,-0.006264351,0.098899431,1.150836902,-0.344671669,-0.23212587,0.146158092,-0.13604294,0.064104339,-0.184960853,-0.055887788,0.489275348,1.871111111,-0.051520468,0.317614379,-0.216432749,-0.324197531,-0.929444444,0.177301587,0.19,0.401111111,-0.646217218,0.134598974,-0.044600833,0.09539096,-0.177597418,0.017831042,0.017406807,0.043955712,-0.02022608,0.034607256,0.046613005,-0.193101692,-0.628279719,-0.038447581,0.152021614,0.644424857,-0.167561174,-0.132943519,0.137720426,-0.137808055,-0.310888496,-0.137133301,0.048068224,0.629675382,7.90E-04,0.231108626,-0.162394226,-0.264522032,-0.498626165,0.113204758,0.159325664,0.240249649,-0.275457653,-0.197824707,0.13877866,-0.118598302,-0.019858479,-0.163316576,-0.030579296,0.482775496,-0.299496539,-0.201701796,0.127001569,-0.11821218,0.055702367,-0.160718563,-0.048562736,0.425147427,-0.027534692,0.169746402,-0.115670709,-0.173264714,-0.496733967,0.09475738,0.101543943,0.214370546,1.62851345,0.930703566,1.343289105,1.493119625,1.344476689,0.106082358,0.086570154,1.86E-04,1.04922138,0.951186959,0.947623774,1.282683589,1.722799611,0.765925185,0.536147629,0,1.505949528,1.1618184,0.728478123,1.078795323,1.180434936,1.093602754,0.765521928,0,0.713221749,0.738250888,1.368233095,1.724732636,2.121799173,0.055489215,0.038842451,0,1.749688453,1.254801494,0.698421089,1.067822661,0.890994962,1.11123739,0.777866173,0,1.787392882,1.264308948,0.715586417,1.090687249,0.846220953,1.074490731,0.752143512,0,0.585659145,0.514771378,1.152390143,1.999538137,2.528021081,0.066487106,0.084619952,0,33.21907411,16.85953706,25.91268375,33.59407411,4.199259264,16.85953723,0.5,0.105013682,0.01312671,-1.802931704,39.43368775,4.929210969,2.939696376,33.23136939,16.86495027,25.92086107,33.60526776,4.200658469,16.86495045,0.498531158,0.104670946,0.013083868,-1.805546954,39.49610725,4.937013407,2.940961693,44.21508734,21.70854919,33.80665072,43.61659562,5.452074452,21.70854919,-0.797988956,0.118410441,0.014801305,-1.706878702,35.44462892,4.430578614,2.854377384,33.2442738,16.8706317,25.92944552,33.617016,4.202127,16.87063187,0.4969896,0.10431144,0.01303893,-1.808299388,39.56200611,4.945250764,2.942295373,55.97724492,26.9063282,42.92426778,54.35380353,6.794225441,26.9063282,-2.164588529,0.227362217,0.028420277,-1.184968692,26.81262353,3.351577941,2.631098243,34.50814645,17.42720741,26.77993808,34.76784773,4.345980966,17.42720751,0.346268372,0.070175968,0.008771996,-2.125399491,48.71049173,6.088811467,3.108715554,31.97576047,16.27344185,25.64360397,32.56266523,4.070333154,16.27344225,1.173809524,0.28245768,0.03530721,-1.011381236,28.05713832,3.50714229,2.667394468,0,11.89,15.99591765,-0.315928884,0.261460029,4.036120259,6.623571333,7,19,18,18,6,1,1,0,0,1,15.992484,3.537611022,3.132679512,2.842699184,2.108529945,1.882238485,1.332142787,0.972610279,0.083923071,1.79909224,1.643438346,1.290118796,0.886552498,0.713561051,0.392074982,0.083923071,0.083923071,3.443365196,3.123112474,2.789717709,2.092902871,1.825098464,1.401367708,0.604413297,0.270913902,1.775990975,1.590373658,1.267563122,0.830754764,0.636238179,0.394889304,0.270913902,0.270913902,3.625201307,3.330431606,3.028744274,2.441163083,2.214926603,1.85762264,1.226893445,0.943918427,1.563360397,1.322630809,0.971000445,0.406637391,0.19624047,0.115804251,0.943918427,0.943918427,3.435547041,3.136422988,2.786686652,2.107607415,1.855242905,1.461382187,0.459593576,0.399277246,1.773684874,1.553926179,1.253921883,0.788644534,0.587262223,0.328177801,0.399277246,0.399277246,3.648612275,3.400877003,3.083619582,2.548212571,2.331326302,2.029021227,1.208936353,1.207644823,1.525444925,1.253510269,0.914703197,0.30473534,0.071088462,0.275873142,1.207644823,1.207644823,4.857552016,3.394095407,3.285732229,2.630612111,2.399090604,1.704408762,1.52568637,0.590163934,1.631664843,1.392915434,0.969638151,0.508471971,0.33100058,0.184054463,0.590163934,0.590163934,0,0,1,0,0,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.40824829,0.552585858,0.288675135,0.083333333,0.112796116,0.058925565,6.405777394,3.808060412,2.682521985,1.562948829,1.129936127,0.288675135,0.144337567,0,0.800722174,0.54400863,0.383217426,0.260491471,0.225987225,0.144337567,0.144337567,0,5.437816924,2.964690378,1.55502117,0.75944935,0.437280567,0.144337567,0.072168784,0,0.679727116,0.423527197,0.222145881,0.126574892,0.087456113,0.072168784,0.072168784,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.3496,31.541,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,61,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,1,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.06416667,-0.087962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.119166667,0.5125,0,0,0,0,0,0,0,0,0,0,3.768333333,0,1.92212963,0,0,0,0,0,0,-0.087962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.42083333,4.643333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.643333333,-0.087962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305625,0.5125,0,0,0,0,0,0,0,0,0,0,1.813055556,0,0.498842593,0,0,0,0,0,0,-0.087962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.42083333,4.643333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.42083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,1.955277778,0,0.873842593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.42083333,4.643333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.66666667,2.583333333,0.577083333,10.42083333,0.265555556,-0.087962963,2.566789259,1.75462963,3.420833333,9.128333333,1.75462963,3.420833333,9.128333333,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.36364,0.13636,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,5.68199,0.71025,8.49821,2.81622,0.35203,2.72862,0.34108,3.80805,1.07943,0.13493,0.10595,0.01324,0.10595,0.01324,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,2.070950594,3.246439345,3.546439345,3.446439345,2.892598565,25.90923688,41.41901189,64.92878689,70.92878689,68.92878689,57.8519713,0.299741647,0.479172848,0.751155335,0.820568799,0.797430977,0.669284287,3.026466251,2.2509775,1.07548875,0.77548875,0.87548875,1.42932953,0.299741647,0.479172848,0.751155335,0.820568799,0.797430977,0.669284287,12.01211119,21.71746765,24.00137214,24.30371965,23.10371965,18.65606528,29.38046565,17.93632218,16.35670797,15.69343894,17.0865958,18.42570357,8,5.142857143,5,8,3,4,1.9,1.0284,0.166666667,2.481111325,0.666666667,0,1.310370697,1.889881575,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,3.358,7,6,5,2,1,0,0,0,0,36,2.197224577,2.302585093,2.197224577,2.079441542,1.098612289,0.693147181,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.666666667,0.375,0.08,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.0625,0.016,0.027777778,0,0,0,0,0,0.415801587,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,26.3,127.2763612,4,3.36729583,4.007333185,4.709530201,5.370638028,6.084499413,6.751101469,7.467942332,8.135932772,8.853522561,69.74779579,2.708050201,0,3.761200116,0,4.990432587,0,6.304448802,0,7.656810091,7.96241568,116.0837296,5.804186481,14.6584741,1.832309262,5.257553224,5.257553224,0,75,6,1.486,28,1.230631579,2.107692726,2.83790034,3.685315237,4.837303943,5.714353202,6.877477724,7.811163989,0,0,94.58963281,102.410161,103.9696851,172.6294289,123.8158628,87.68888911,34.63293718,7.936642527,0,0,279.0386343,308.5179451,345.692627,541.1101439,590.5811098,561.5951989,422.2870862,242.8002251,0,0,9.500427541,16.2091211,21.77606087,29.09430426,38.59910456,39.86715944,47.20103442,52.47902406,0,0,1.953218228,2.322757739,2.627486544,3.943137699,4.703755219,5.341560945,4.725163205,3.472944311,0,0,180.0610686,338.6383165,480.1443277,598.7349254,807.9290195,941.6552918,1192.516008,1444.422104,0,0,3.629951754,6.387920945,7.452444857,13.22144738,15.49822181,8.819608703,9.370032032,7.811163989,0,0,0.448387105,0.564458264,0.65428571,0.993848441,1.160595613,1.153783288,1.047229192,0.799863192,0,0,350.4533653,257.3527537,11.84709391,181.5206099,-133.2982743,-19.82019994,168.9327554,390.651028,31.66729384,0.658779154,0.483769443,0.022270063,0.341220846,-0.250572924,-0.037257838,186.4320699,136.9049674,6.302345641,96.56424046,-70.91121287,-10.54383055,0.356006591,0.430170979,2.015266895,4.336776503,481.9716257,50.00234953,0.906006023,0.093993977,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,971.5275797,31.16933717,9.904176654,1.993727069,1.993727069,659.3854423,597.8854594,78.22937909,1.102862483,8.428872246,7.642722803,4.120236011,4.434143809,8.525339268,0.922657368,3.360032699,4.293028381,3.240085853,11.33115018,5.582960372,1.729145221,3.725581991,6.01877549,2.067922781,2.379333134,3.09487782,2.381686651,1.639284772,3.215169661,0.041033352,1.975447144,3.28E-10,1.11E-41,7.22E-95,9.06E-170,2.20E-266,0,0,0,0,0,0,0,0,0,0.298491782,4.443993512,0.286487086,3.380371613,0.198553387,1.674762016,0.528048428,0.545834436,0.035481068,0.18264164,1.930208602,0.109958855,0.217084039,0.022736344,0.003440122,0.013913236,2.31E-12,7.81E-44,5.08E-97,6.38E-172,1.55E-268,0,0,0,0,0,0,0,0,0,0.91615042,4.162911006,0.669223861,3.858250584,0.594498281,1.526609338,0.798792738,1.169392749,0.185643936,0.376725247,2.146680987,0.414211176,0.355183871,0.236208745,0.011107455,0.144986644,2.41E-11,8.13E-43,5.30E-96,6.65E-171,1.61E-267,0,0,0,0,0,0,0,0,0,3.176711882,4.44359216,3.540745267,12.06376422,5.525413073,1.809895144,3.798421291,6.253598238,1.853500277,2.675154216,3.016056015,2.18620294,1.498374758,2.86472069,0.038729712,1.76008784,2.92E-10,9.87E-42,6.43E-95,8.07E-170,1.96E-266,0,0,0,0,0,0,0,0,0,1.342655413,4.056109269,0.855571454,4.238142845,0.943026089,1.479427549,1.029370938,1.555316764,0.367495943,0.453557981,2.301595452,0.67041657,0.495176899,0.512852985,0.016372694,0.314930364,5.23E-11,1.77E-42,1.15E-95,1.44E-170,3.50E-267,0,0,0,0,0,0,0,0,0,4.057749124,4.38850086,4.430148338,14.91546658,8.140938654,1.831598152,5.036179549,8.295412795,2.976984805,3.446462693,3.39525969,3.169524351,2.222146841,4.688727234,0.049565205,2.881004004,4.79E-10,1.62E-41,1.05E-94,1.32E-169,3.20E-266,0,0,0,0,0,0,0,0,0,2.093644735,4.437090455,2.787832971,13.84667035,4.137845577,1.850732743,3.301394173,6.691945823,0.762161154,2.158107699,2.587399245,1.040634223,0.878793043,1.120233593,0.028567338,0.68803534,1.14E-10,3.86E-42,2.51E-95,3.16E-170,7.65E-267,0,0,0,0,0,0,0,0,0,7.657035099,0.804275432,0.414987615,0.86263834,0.09060933,0.607354384,0.476857155,0.499981437,8.876298146,9.66970429,21.10164773,0.79395751,1.584192977,5.100960598,0.638918684,0.072022644,0.877674927,0.109932806,0.269428505,0.300847849,0.015059888,5.811901926,3.672500317,9.719131172,0.81651239,0.585336241,6.515520851,0.615744993,0.210524282,0.887456702,0.083868509,0.439699572,0.279513342,0.128673169,7.341790125,5.513203957,13.69959631,0.831185053,0.847886083,7.369867247,0.820344462,0.391942828,0.858743246,0.09558724,0.562630282,0.496115069,0.445994038,8.582154537,9.25592452,20.20769868,0.788114869,1.504739389,7.132247079,0.630391349,0.281990891,0.886584925,0.078361765,0.526926243,0.292963688,0.230862698,8.044629319,6.685100179,15.99759067,0.829877387,1.05075263,7.732411114,0.836856981,0.437491478,0.858511993,0.092914324,0.619375155,0.516272322,0.555677491,9.006759573,10.21990398,22.05763688,0.78776799,1.691324967,7.43027877,0.834180404,0.395511045,0.858002809,0.096326013,0.571918528,0.512975106,0.454151592,8.659970219,9.466877833,20.57830182,0.787004213,1.539045226 +UMLS0040,L,Ethyl buanoate,CCCC(=O)OCC,7762,"""ETHYL BUTYRATE ""","Sandia, UML",[11],C6H12O2,UML,ethyl butanoate (spelling),9.2,0,2.2962,5.27253444,39.5198,20.74793,6,6,18,8,10,0,8,0,0,0,0,0,0,0,0,0,1164.273608,1275.183848,1618.236826,1302.451087,544.894898,231.131545,72.642528,9.144576,0,3698.972658,4535.501378,6027.984113,5780.464594,3576.938553,1547.109022,688.4196982,279.7536999,0,127.508768,131.500448,215.362792,237.043708,251.492168,144.304804,42.705792,60.466176,0,26.75732905,33.4466431,46.14629777,47.13658925,34.07326687,15.69474653,6.68126586,4.001516144,0,2863.531369,2545.580326,4521.165141,4932.336942,5904.886795,3634.376771,918.7352863,1664.258868,0,39.55555556,48,68,75.44444444,60.66666667,28,12,9,0,64.68186711,70.84354711,53.94122753,39.46821476,15.13596939,11.00626405,12.107088,1.016064,0,205.498481,251.9722988,200.9328038,175.1655938,99.35940425,73.67185819,114.7366164,31.08374443,0,7.083820444,7.305580444,7.178759733,7.183142667,6.985893556,6.871657333,7.117632,6.718464,0,1.48651828,1.858146839,1.538209926,1.428381492,0.946479635,0.747368882,1.11354431,0.444612905,0,159.0850761,141.4211292,150.7055047,149.4647558,164.0246332,173.0655605,153.1225477,184.917652,0,2.197530864,2.666666667,2.266666667,2.286195286,1.685185185,1.333333333,2,1,0,0.041982015,0.001539808,-0.002835092,-0.03000414,-0.01154366,0.021532128,-0.006612255,0.006932205,0,538.0711511,3.27E-13,98.6463777,-408.0372896,-188.3249029,192.8088291,-179.3570504,215.2284604,0,1000.566282,-4.26E-14,183.4371517,-758.7627638,-350.1981987,358.536251,-333.522094,400.2265128,0,0.105404444,1.52E-15,0.019324148,-0.079931704,-0.036891556,0.037769926,-0.035134815,0.042161778,0,4.472996822,3.94E-15,0.820049417,-3.39202259,-1.565548888,1.602823861,-1.490998941,1.789198729,0,24.29738973,4.40E-14,4.45452145,-18.42552054,-8.504086404,8.706564652,-8.099129909,9.718955891,0,3.901234568,-0.790123457,1.695473251,-2.744855967,-2.197530864,2.041152263,-1.448559671,1.49382716,0,0.002332334,8.55E-05,-9.45E-05,-9.09E-04,-3.21E-04,0.001025339,-0.001102043,7.70E-04,0,29.89284173,1.82E-14,3.28821259,-12.36476635,-5.231247302,9.181372817,-29.89284173,23.91427338,0,55.58701566,-2.37E-15,6.114571723,-22.99281102,-9.727727741,17.07315481,-55.58701566,44.46961253,0,0.005855802,8.46E-17,6.44E-04,-0.002422173,-0.001024765,0.001798568,-0.005855802,0.004684642,0,0.248499823,2.19E-16,0.027334981,-0.102788563,-0.043487469,0.076324946,-0.248499823,0.198799859,0,1.349854985,2.44E-15,0.148484048,-0.558349107,-0.236224622,0.414598317,-1.349854985,1.079883988,0,0.216735254,-0.043895748,0.056515775,-0.083177454,-0.061042524,0.097197727,-0.241426612,0.165980796,0,0.036677806,-0.040518661,-0.389831097,-0.137483401,0.439619435,-0.472506291,0.330246396,0,6.07E-16,0.11,-0.413636364,-0.175,0.307142857,-1,0.8,0,-4.26E-17,0.11,-0.413636364,-0.175,0.307142857,-1,0.8,0,1.44E-14,0.11,-0.413636364,-0.175,0.307142857,-1,0.8,0,8.81E-16,0.11,-0.413636364,-0.175,0.307142857,-1,0.8,0,1.81E-15,0.11,-0.413636364,-0.175,0.307142857,-1,0.8,0,-0.202531646,0.260759494,-0.383774453,-0.28164557,0.448462929,-1.113924051,0.765822785,0,0.96731211,0.993093135,1.479049058,1.143847354,0.48951253,0.921450203,0,0,1.0625,0.8925,1.390909091,1.0625,0.546428571,1.9125,0,0,1.0625,0.8925,1.390909091,1.0625,0.546428571,1.9125,0,0,1.0625,0.8925,1.390909091,1.0625,0.546428571,1.9125,0,0,1.0625,0.8925,1.390909091,1.0625,0.546428571,1.9125,0,0,1.0625,0.8925,1.390909091,1.0625,0.546428571,1.9125,0,0,1.291139241,0.64556962,1.437859609,1.223892405,0.276672694,2.178797468,0,0,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,25.6517298,12.75919824,18.61519495,25.6267298,3.203341226,12.75920965,-0.05,3.33E-16,4.16E-17,-28.51055062,39.04919554,4.881149442,2.93185782,0,11.85,12.15008271,-0.208589204,0.091499259,5.84578125,7.659085743,8,18,15,12,2,3,0,0,0,6,10.93207,3.799577752,3.025396389,2.619181914,2.384946851,1.842719103,0.941428501,0.362339541,0.280919995,1.98899578,1.517066688,1.216938438,1.082250302,0.637206443,0.310513972,0.083923071,0.083923071,3.810779039,3.053343152,2.645815032,2.448321326,1.904489599,1.053336623,0.477714833,0.427232027,1.957388135,1.4383458,1.110593711,1.007167592,0.531896723,0.150156259,0.270913902,0.270913902,3.862194007,3.18743532,2.771820215,2.716126481,2.158952528,1.517793787,0.957008449,0.956724315,1.87294753,1.216149863,0.798620231,0.767072651,0.206597349,0.396843083,0.943918427,0.943918427,3.819136668,3.074565934,2.665925019,2.494510478,1.949078733,1.134811365,0.562249297,0.528462823,1.938086149,1.388772714,1.040211722,0.960278991,0.463824367,0.041902902,0.399277246,0.399277246,3.888755316,3.258431154,2.838821757,2.838078588,2.273637886,1.721464227,1.207644823,1.207644823,1.848797093,1.151850519,0.738564276,0.650190428,0.097067588,0.594311107,1.157463255,1.161375552,3.8165219,3.077733288,2.722592367,2.567249127,1.986153783,1.230214688,0.609872562,0.598673466,1.932706055,1.354128395,0.954599352,0.889742168,0.414770323,0.067369896,0.52173913,0.52173913,0,0,0,4,2,2,0,0,0,0,0,0,0.083333333,0.166666667,0,0,0,0.027777778,0.055555556,0.577350269,0,0,0,0.333333333,0,0,0,0.816496581,0.760079655,1.138071187,0.384900179,0.303561201,0.414672312,5.983127663,3.7876937,3.365043969,2.304530453,1.426746322,1.304737854,0.333333333,0,0.747890958,0.473461713,0.336504397,0.230453045,0.142674632,0.108728155,0.083333333,0,5.309401077,2.821367205,2.154700538,1.218233513,0.636894534,0.525783423,0.111111111,0,0.663675135,0.352670901,0.215470054,0.121823351,0.063689453,0.043815285,0.027777778,0,10.70913902,17.43918427,16.62745098,16.8,11.99277246,135.3693593,0.594952168,0.96884357,0.923747277,0.933333333,0.666265136,7.52051996,1.74264,33.722,30.70152702,40.30404889,61.40305404,7.675381755,30.70152702,0.094421893,0.011802737,-1.887985849,23.37145629,2.921432036,2.521212369,58,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,4,0,0,0,0,0,0,0,0,2,0,0,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.626388889,0,0,0,0,1.626388889,0,0,0,0,0,0,0,0,4.193333333,0,0,0,0,8.481481481,0,0,0,0,2.658518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.329259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0,0.406597222,0,0,0,0,0,0,0,0,2.096666667,0,0,0,0,2.12037037,0,0,0,0,1.329259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0,0.406597222,0,0,0,0,0,0,0,0,2.096666667,0,0,0,0,2.12037037,0,0,0,0,1.329259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.33333333,1.916666667,0.406597222,2.12037037,0.1775,1.329259259,4.879186667,0.337407407,0.12037037,1.34962963,0.337407407,0.12037037,1.34962963,4,0.5,0,0,0.47778,0.7,0.43333,0.43333,0.7,0.04444,0.04444,0,0,0.71429,0,0,0.25,0.25,0,10,1.25,4,0.5,6,0.75,2,0.25,0,0,4.09034,0.51129,8.39431,4.30397,0.538,1.7065,0.21331,3.78768,2.08118,0.26015,0.12632,0.01579,0.21232,0.02654,0.333333333,8,0,0,0,0,0,0,0.25,0.99107606,2.197159723,2.197159723,2.419381946,2.419381946,2.197159723,17.83936908,39.54887502,39.54887502,43.54887502,43.54887502,39.54887502,0.237672394,0.526906293,0.526906293,0.580197952,0.580197952,0.526906293,3.178848942,1.972765278,1.972765278,1.750543056,1.750543056,1.972765278,0.225638533,0.500227901,0.500227901,0.550821289,0.550821289,0.500227901,6.714395846,15.2580338,15.2580338,17.92470047,15.48199492,15.2580338,29.66949396,25.1248139,25.1248139,22.0050139,24.60484724,25.1248139,6.125,2.52,1.8,0,6,0,2.34,0.9982,0.2,3.265986324,2,0,3.301927249,5.656854249,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,3.896,10,10,10,12,4,0,0,0,0,62,2.48490665,3.020424886,3.409496184,3.803880847,4.298135385,3.446011397,0,0,0,0,5.373250891,3.460685484,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,5,0.666666667,2,0.888888889,0.25,0.302222222,0,0,0,0,0,0,0.25,0.088888889,0.035714286,0.151111111,0,0,0,0,0,0,0.525714286,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,0,115.7585009,4,3.610917913,4.343805422,5.129898715,5.888877958,6.670766321,7.438971592,8.217438538,8.989319566,9.765890765,76.05588679,2.833213344,0,4.043051268,0,5.451038454,0,6.940222469,0,8.463159303,8.712924435,106.0782503,5.893236129,15.53282921,1.941603651,0,0,0,62,7,2.866,36,1.231350208,2.153769403,3.054081916,3.803147509,4.921182279,6.121223541,6.552566751,0,0,0,96.27497539,127.3553707,126.9106336,62.84478792,58.47853179,74.11019208,6.657827183,0,0,0,331.391896,462.6330381,552.0594153,403.2552061,370.313278,702.3284771,203.6783102,0,0,0,9.024660361,15.52079594,21.97216747,26.66740925,33.81586865,43.56861655,44.02318382,0,0,0,2.402651941,3.488991624,4.463319945,3.785854084,3.711402594,6.816253644,2.913355737,0,0,0,172.3376467,320.4353436,454.0796648,616.0766503,852.0166314,937.2973437,1211.685258,0,0,0,3.381661893,5.092398481,7.113058049,6.66284114,6.618832576,12.24244708,6.552566751,0,0,0,0.494081992,0.723624636,0.936202266,0.815232167,0.811309312,1.46909365,0.670982835,0,0,0,264.2921107,109.5841137,10.46647079,108.9695773,-45.18233448,-5.519303014,155.3225334,154.7664482,15.98577381,0.708061178,0.293585217,0.028040571,0.291938822,-0.12104734,-0.014786685,98.65011935,40.90355124,3.906732555,40.67416836,-16.86483444,-2.06014436,0.149598018,0.141303915,3.8620868,1.804189934,373.261688,0,1,0,604.8962865,24.59463938,8.457207237,702.6158965,26.50690281,8.890086578,980.0983618,31.30652267,9.933216191,1.833740952,1.833740952,413.5027283,328.6159416,91.62968927,1.258316095,4.512759256,3.586347877,3.705446905,4.288153178,6.664765497,0.554227478,3.1157585,2.872001084,3.665941125,7.416912782,0.135536587,4.808251928,4.302966477,5.908330452,0.88460686,1.326164933,1.452645365,1.83923252,2.73E-05,7.61E-31,4.94E-78,6.44E-147,1.67E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,0.261593628,2.871879065,0.283316288,4.151625241,0.011785942,0.286280831,0.429999584,0.38752184,0.006235093,0.051674526,0.121938123,0.012954489,1.93E-07,5.36E-33,3.48E-80,4.54E-149,1.17E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844189527,2.871887516,0.92997715,4.597598516,0.036964138,0.750601875,1.219391513,1.322219663,0.064937302,0.136838387,0.393563087,0.134990864,2.01E-06,5.58E-32,3.62E-79,4.73E-148,1.22E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,2.941028572,2.871987793,3.443362505,7.138993932,0.12793167,4.369143814,4.065454723,5.502350528,0.788172046,1.18623701,1.371180155,1.638723492,2.44E-05,6.78E-31,4.40E-78,5.74E-147,1.48E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,1.244123348,2.871898203,1.386896165,4.969228532,0.054272513,1.20554411,1.761629698,2.020933597,0.141040847,0.247257912,0.580025334,0.29321666,4.36E-06,1.21E-31,7.87E-79,1.03E-147,2.65E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,3.762704777,2.872056906,4.507644971,8.534507365,0.163727087,6.618324159,5.182832816,7.488700245,1.290100527,1.914543001,1.754274673,2.682345742,3.99E-05,1.11E-30,7.20E-78,9.39E-147,2.43E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,1.69634622,2.622347992,1.731884555,5.706314981,0.073846163,1.756600806,2.368033919,2.779708344,0.24081158,0.395814483,0.790869376,0.500662857,7.44E-06,2.07E-31,1.34E-78,1.75E-147,4.53E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.913938494,1.503401335,0.185827252,0.744179033,0.227678827,0.566059351,0.437948295,0.222237974,6.60316708,8.580138312,16.55612683,0.61626855,1.22624562,3.065824818,0.831967049,0.031761634,0.780196736,0.211720504,0.220350474,0.134116491,0.006492399,3.929553502,2.674465469,6.685032267,0.670295105,0.360959364,3.69988704,1.062333065,0.084619795,0.763360688,0.219180556,0.32091327,0.218672541,0.046083283,4.8468399,4.333490428,9.512929475,0.645041032,0.585669094,4.856591742,1.482567454,0.181046653,0.744852518,0.227380468,0.552924691,0.425894436,0.210950454,6.52020585,8.347908412,16.17169087,0.617278776,1.189769581,4.020698892,1.17888672,0.111363873,0.757058395,0.221972874,0.378975327,0.269288291,0.079815662,5.310949484,5.318994517,11.15780303,0.635587592,0.728079281,5.098376038,1.570406691,0.201202512,0.742123288,0.228589529,0.609348171,0.477855969,0.260535109,6.869985241,9.348299677,17.82921762,0.613184933,1.347739249,4.854883392,1.482877352,0.180720336,0.744787525,0.227488173,0.55253579,0.426072507,0.210190707,6.518481079,8.344558878,16.16408119,0.617181288,1.188799004 +UMLS0041,L,p-xylene,CC1=CC=C(C=C1)C,7809,Sandia values from independent api report ,Sandia,,C8H10,PubChem,,2.2,0,-0.7667,0.58782889,31.1711,23.259102,0,0,23,9,14,0,7,0,2,0,0,0,0,0,0,0,1536.009745,1467.311804,1650.192872,1454.273155,1137.947589,898.906268,702.149539,307.657897,78.738912,3832.572288,4632.085644,5676.308337,5555.07713,4721.063408,3654.726637,2647.928293,1675.784234,874.9221648,173.54554,167.45108,301.955216,347.198116,316.9281,265.94048,203.05558,140.266468,83.016576,27.03328867,33.55214034,44.4741589,45.35952181,38.83004553,30.87189014,21.85036128,14.2329069,9.348943289,3847.310193,3237.717434,6440.16748,7792.668112,7022.167554,6097.165481,4618.210326,3113.018667,2028.241198,95.02777778,60.75,103.9166667,108.3333333,106.5833333,79.41666667,70.5,50,18,66.78303239,66.69599109,41.2548218,30.94198202,27.09399021,24.96961856,26.00553848,17.09210539,6.561576,166.6335777,210.5493475,141.9077084,118.1931304,112.4062716,101.5201844,98.07141824,93.09912411,72.9101804,7.545458261,7.611412727,7.5488804,7.387193957,7.545907143,7.387235556,7.520577037,7.792581556,6.918048,1.175360377,1.525097288,1.111853972,0.965096209,0.924524894,0.857552504,0.80927264,0.79071705,0.779078607,167.2743562,147.1689743,161.004187,165.8014492,167.1944656,169.3657078,171.0448269,172.9454815,169.0200999,4.131642512,2.761363636,2.597916667,2.304964539,2.537698413,2.206018519,2.611111111,2.777777778,1.5,0.273068304,-0.153941587,0.031960938,0.013730048,-0.037960813,0.008298328,0.030620113,-0.041394299,0.001113403,799.1117029,-15.00476101,-49.35780647,23.67823622,-254.0922898,11.34199864,2.616396371,-266.1244476,-47.4085995,1081.795272,-149.5950004,-203.5400037,-13.0093392,-214.6578949,17.30891135,16.14615326,-114.450751,-137.7484193,1.975925913,0.013204083,0.649213369,-0.160249301,-0.632921059,-0.200742473,-0.270254941,-0.664586888,0.103940915,4.769103567,-1.066326256,-0.81783724,-0.366923567,-0.506944012,-0.079408475,-0.082108732,0.332236199,-0.702102946,26.67799994,-6.490143964,-3.956324616,-2.622008924,-2.235773579,-0.809084441,-0.852528195,3.00277212,-3.911578793,38.15700483,0.358275572,9.933469859,-1.101029196,-14.42800882,-4.539224953,-1.901701323,-10.84751103,0.497794581,0.011872535,-0.006997345,7.99E-04,2.92E-04,-9.04E-04,2.31E-04,0.001134078,-0.002299683,9.28E-05,34.74398708,-0.682034591,-1.233945162,0.50379226,-6.049816423,0.315055518,0.096903569,-14.78469154,-3.950716625,47.03457702,-6.799772747,-5.088500091,-0.276794451,-5.110902259,0.480803093,0.598005676,-6.358375055,-11.47903494,0.085909822,6.00E-04,0.016230334,-0.00340956,-0.015069549,-0.00557618,-0.010009442,-0.036921494,0.008661743,0.207352329,-0.048469375,-0.020445931,-0.007806884,-0.012070096,-0.002205791,-0.003041064,0.018457567,-0.058508579,1.159913041,-0.295006544,-0.098908115,-0.055787424,-0.053232704,-0.022474568,-0.031575118,0.166820673,-0.325964899,1.65900021,0.016285253,0.248336746,-0.023426153,-0.34352402,-0.126089582,-0.070433382,-0.602639502,0.041482882,-0.589372436,0.067300155,0.024605418,-0.076127708,0.019415324,0.095521156,-0.19369775,0.007814979,-0.019630291,-0.035515359,0.014500128,-0.174125566,0.009067915,0.002789075,-0.425532381,-0.113709363,-0.144569659,-0.108186369,-0.005884914,-0.10866266,0.010222333,0.012714171,-0.135185122,-0.244055239,0.006986228,0.188922917,-0.039687657,-0.175411246,-0.06490736,-0.116511035,-0.429770343,0.100823662,-0.233753706,-0.098604781,-0.037650334,-0.058210562,-0.010637889,-0.014666168,0.089015478,-0.282169866,-0.254335052,-0.085272009,-0.048096212,-0.045893703,-0.01937608,-0.02722197,0.143821707,-0.281025291,0.009816306,0.149690606,-0.014120645,-0.207066893,-0.076003355,-0.042455319,-0.363254626,0.025004748,1.584109521,0.984943229,0.925312729,1.065572511,0.897535693,1.095157547,1.464213124,0.161558657,1.090358552,1.034548099,0.915485414,1.160864139,0.911384472,0.968289213,1.494076747,0.833254033,1.504503624,1.16850344,0.971271864,1.030160034,0.876792745,0.829922305,0.918715983,1.144579577,0.709899086,0.76310685,0.87788863,1.315311172,0.996633409,1.309284957,2.129580632,0.066013609,1.714180848,1.192683652,1.003531124,0.974095582,0.87500543,0.822773043,0.65886919,1.160665414,1.747015013,1.185335401,1.009607197,0.967895706,0.878738061,0.837703566,0.626203804,1.127071739,0.554725581,0.520910616,0.927717894,1.610721746,1.004985124,1.239437165,2.074033044,0.144141293,45.59740545,23.04870272,36.90887934,45.98629433,5.109588259,23.04870272,0.5,0.189503468,0.021055941,-1.497013157,36.26179794,4.029088661,3.23168831,45.60748959,23.05301037,36.91414562,45.99523604,5.110581782,23.05301037,0.498531158,0.189300454,0.021033384,-1.497977838,36.2619753,4.029108367,3.231692712,54.74364989,26.97283047,41.93279417,54.12299182,6.013665757,26.97283047,-0.797988956,0.006888766,7.65E-04,-4.480076939,43.3658146,4.818423845,3.392704304,45.61807373,23.05753167,36.91967364,46.0046212,5.111624578,23.05753167,0.4969896,0.189087381,0.021009709,-1.498991435,36.26217384,4.029130426,3.231697639,64.72824045,31.28182596,48.0240176,63.04467159,7.00496351,31.28182596,-2.164588529,0.181600119,0.020177791,-1.535353341,50.60424359,5.622693733,3.531631894,46.6566905,23.50147944,37.46522542,46.92601035,5.214001149,23.50147944,0.346268372,0.168206623,0.018689625,-1.604305939,36.3440455,4.038227277,3.233727342,48.22765984,24.28870741,40.2682333,48.69279777,5.410310863,24.28870741,1.174603175,0.289709943,0.032189994,-1.114987549,37.14223188,4.126914654,3.253279183,0,11.99632006,15.9982593,-0.349589123,0.261215741,3.996822445,7.054206274,8,22,21,21,7,1,1,0,0,1,18.178898,3.548326563,3.264966179,2.815569099,2.537774284,2.049472931,1.511704076,1.168822574,1.085160348,1.871193283,1.599497674,1.416228458,1.156920087,0.799938421,0.569473718,0.400948043,0.083923071,3.499199422,3.197380463,2.795957385,2.50682941,2.038015646,1.568893035,1.278105062,0.634216703,1.825117274,1.590039841,1.362787373,1.090289639,0.742445146,0.489308491,0.36352774,0.270913902,3.652169788,3.405751385,3.053613671,2.777630858,2.373256538,1.986452783,1.758409614,1.255949894,1.633659374,1.336243715,1.033834972,0.761573641,0.339276477,0.005659841,0.171849612,0.943918427,3.506601395,3.187439316,2.805350997,2.525959563,2.055361123,1.619739597,1.3590943,0.465144215,1.804251707,1.588884991,1.320832899,1.051700886,0.707891748,0.425790806,0.269194954,0.399277246,3.690921526,3.441470125,3.137149909,2.860286179,2.475100364,2.143780586,1.955503145,1.209058028,1.585746856,1.294911788,0.95386135,0.673948094,0.241664401,0.140177699,0.361326013,1.207644823,4.915470075,3.442922778,3.315543106,2.999144554,2.410657628,1.959926776,1.755114049,1.491499724,1.749498632,1.363043847,1.036156006,0.844841936,0.430392845,0.160700989,0.194355565,0.6,0,0,1,0,0,1,4,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.49279928,0.348461713,0.24639964,0.100592232,0.071129449,0.050296116,7.112884175,4.308060412,3.009201922,1.997400241,0.946923425,0.535074775,0.348461713,0.102062073,0.790320464,0.538507552,0.37615024,0.285342892,0.189384685,0.133768694,0.116153904,0.102062073,6.144923706,3.377156753,2.033239394,1.212125132,0.62139964,0.299230856,0.153093109,0.051031036,0.682769301,0.422144594,0.254154924,0.173160733,0.124279928,0.074807714,0.051031036,0.051031036,12.22239284,22.87618354,21.77647059,22.12,13.55036048,177.5068275,0.531408384,0.994616676,0.946803069,0.96173913,0.589146108,7.717688154,1.7397,36.158,25.41191019,39.68761279,50.82382038,5.647091153,25.41191019,0.089797579,0.009977509,-2.16917754,37.38194553,4.153549503,3.259069063,85,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,1,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.92223639,-0.094027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.71189059,0.5125,0,0,0,0,0,0,0,0,0,0,3.533291761,0,3.805166289,0,0,0,0,0,0,-0.094027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46440193,4.457834467,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.457834467,-0.094027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252862812,0.5125,0,0,0,0,0,0,0,0,0,0,1.424880008,0,0.57375,0,0,0,0,0,0,-0.094027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46440193,4.457834467,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46440193,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,2.108411754,0,1.149795918,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46440193,4.457834467,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.16666667,2.462962963,0.566850907,10.46440193,0.252862812,-0.094027778,3.373730109,1.760694444,3.464401927,9.061296296,1.760694444,3.464401927,9.061296296,4.16666,0.46296,0,0.03704,0.52319,0.87037,0.42414,0.52319,0.87037,0.09905,0,-0.09905,0,0.53191,0.18238,0,0.32,0.12,0,6.25,0.69444,4.75,0.52778,1.5,0.16667,-3.25,-0.36111,0,0,6.91544,0.76838,9.9223,3.00686,0.3341,3.18293,0.35366,4.30805,1.12513,0.12501,0.10595,0.01177,0.10595,0.01177,0,8.02,2,2,2,2,0,0,0.857142857,1.264672679,1.999307329,3.348798912,3.675310869,3.464234653,3.762267391,29.08747163,45.98406858,77.02237498,84.53214998,79.67739701,86.53214998,0.279574524,0.441976334,0.740301326,0.812481603,0.765820096,0.831704623,3.258889277,2.524254627,1.174763044,0.848251087,1.059327303,0.761294565,0.279574524,0.441976334,0.740301326,0.812481603,0.765820096,0.831704623,11.60803893,20.77103861,24.40354894,23.77677456,23.56404667,24.82025282,32.94327953,20.86971424,17.35413965,17.47483124,18.10523139,16.15819021,9,6.125,5.87755102,9,3,6,2.01,1.1693,0.142857143,2.576474029,0.632455532,0,3.965406457,1.807204007,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,3.857,8,7,5,4,3,1,0,0,0,45,2.302585093,2.397895273,2.302585093,1.945910149,1.791759469,1.609437912,0.693147181,0,0,0,3.988984047,1.177777778,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.625,7,0.875,0,4,7,0.75,1.5,0.666666667,0.25,0.16,0.111111111,0.040816327,0,0,0,0,0.1875,0.083333333,0.035714286,0.032,0.027777778,0.013605442,0,0,0,0,0.379930839,25.41191019,39.68761279,50.82382038,5.647091153,25.41191019,0.089797579,0.009977509,-2.16917754,37.38194553,4.153549503,3.259069063,26.3,144.5723458,4.169925001,3.496507561,4.143134726,4.828313737,5.501258211,6.196444128,6.876264612,7.5750717,8.257126286,8.957381736,72.8315027,2.833213344,0,3.891820298,0,5.117993812,0,6.411818268,0,7.739359203,8.053251154,130.0993797,5.656494769,16.65751855,1.850835395,5.120782991,5.120782991,0,110,7,2.201,32,1.233227273,2.115662693,2.862637971,3.618101332,4.869059934,5.872890352,7.151454554,8.21855873,9.206464991,0,92.90307534,96.48572755,100.3001323,119.4299573,139.3443689,174.8171475,134.0451451,57.3706715,9.354357644,0,281.9160909,321.2573092,366.6716946,464.1923224,537.8241333,626.7819959,702.5309276,625.1924065,286.1714049,0,9.447098999,16.06774347,21.20918031,27.35500377,36.15051367,44.40618477,55.90064078,56.98033303,61.85330361,0,1.992608666,2.470228826,2.920977756,3.708275048,4.424366345,5.040518414,5.880920373,6.610619207,4.093313143,0,179.7781318,337.2739014,471.2347513,592.4862502,816.8983509,994.0461284,1230.109084,1379.228633,1702.43789,0,3.502094697,5.75640697,6.691373754,9.153149998,11.0409019,15.79064193,20.03395605,12.6383571,9.206464991,0,0.450467386,0.575466985,0.681973649,0.879499401,1.059799372,1.263111034,1.479927356,1.44974467,0.942742015,0,389.9452794,313.1594639,14.18721552,179.1822833,-143.898723,-21.77711878,210.7629961,457.0581869,35.9643343,0.685163231,0.550244768,0.024928006,0.314836769,-0.252840896,-0.038264038,221.9286064,178.2276824,8.074335391,101.9775761,-81.8967295,-12.39395853,0.325229487,0.397157327,2.086517872,6.967323289,514.041658,55.08590459,0.903209916,0.096790084,648.0661598,25.45714359,8.653791915,783.6846649,27.99436845,9.219636166,1070.552975,32.71930585,10.22985287,2.764764615,2.764764615,1036.53007,982.166445,74.42225426,1.055350725,13.92768978,13.19721439,4.520924511,5.363411326,9.785900058,0.824566393,3.917833806,5.241545688,5.088624838,17.53556011,8.606211244,1.551847257,3.805414554,8.32472761,7.902017314,1.188247376,3.936878646,1.890643301,6.469173602,0.011454022,2.915699972,1.34169786,4.119201942,0.552225975,0.020431049,1.43E-22,1.92E-64,5.00E-128,2.51E-213,2.427E-320,0,0,0,0,0,0,0.345304163,5.392468715,0.484452002,4.88842538,0.287850341,1.072367007,0.530365197,0.338216397,3.442067661,0.050705334,1.94026723,1.056246096,0.478400633,0.005785488,0.119257211,0.946041433,0.178823637,0.003889383,1.44E-04,1.01E-24,1.36E-66,3.52E-130,1.77E-215,1.7E-322,0,0,0,0,0,0,1.067266495,5.111389101,1.036808437,5.486953404,1.108265585,0.952502274,1.077390169,1.22268389,3.471183909,0.195981062,1.820913716,0.753048303,1.098123824,0.004816071,0.337268403,0.999421462,0.687221504,0.040530289,0.001499523,1.05E-23,1.41E-65,3.67E-129,1.84E-214,1.78E-321,0,0,0,0,0,0,3.703230625,5.392104873,5.793808777,17.10839018,8.035335891,1.777727223,3.880424747,7.726374095,8.800446734,1.087858148,3.950938699,2.212945633,6.871431515,0.012295375,2.922352465,1.307789254,3.77328905,0.492023408,0.018203697,1.27E-22,1.71E-64,4.46E-128,2.24E-213,2.162E-320,0,0,0,0,0,0,1.565372702,5.004591042,1.246079693,6.322827361,1.868931794,0.893463995,1.415899921,2.012198327,3.53174931,0.321516895,1.911583352,0.659044466,1.453695176,0.004881971,0.51494428,1.044195426,1.124084688,0.088037177,0.003257165,2.28E-23,3.07E-65,7.98E-129,4.00E-214,3.873E-321,0,0,0,0,0,0,4.731374743,5.337037471,7.084567457,23.58080712,12.05769233,1.900147361,4.798533876,11.45075587,10.01230059,1.594857498,4.874403117,2.464702067,9.111549705,0.013857052,4.231318223,1.478244804,5.518824501,0.805369651,0.029796765,2.08E-22,2.81E-64,7.30E-128,3.66E-213,3.5395E-320,0,0,0,0,0,0,2.465227119,5.339543861,6.116588675,13.78515878,5.126156679,2.644691917,3.056326628,4.466494258,12.63369012,0.52689187,3.302664866,5.236865531,7.68030714,0.015134578,1.85421014,1.560906061,2.184424688,0.198801399,0.007355178,5.14E-23,6.93E-65,1.80E-128,9.03E-214,8.735E-321,0,0,0,0,0,0,9.236079731,0.732372582,0.432671491,0.887988635,0.070412832,0.531707058,0.555815316,0.521721165,10.4011238,11.07731669,24.4051393,0.831982953,1.60924354,7.82684809,0.500371291,0.077051133,0.931294165,0.059537742,0.381834254,0.261666877,0.016545502,8.404270514,4.557951773,13.26397996,0.896941247,0.660046633,8.355013068,0.525930896,0.220577479,0.917979826,0.057784943,0.435102553,0.286613544,0.135595174,9.101521444,6.353095745,16.42386982,0.876969738,0.857311272,9.160847171,0.738613603,0.410617078,0.888533268,0.071639964,0.523071337,0.566489359,0.469889685,10.31007785,10.831214,23.919661,0.832799903,1.55945038,8.634564542,0.558790423,0.293230964,0.910186721,0.058903216,0.46472558,0.322535648,0.239630201,9.486585929,7.520688313,18.42208783,0.865280082,1.026891429,9.340249421,0.764325481,0.456503139,0.88440303,0.072371919,0.543764951,0.605771598,0.58077703,10.56107804,11.75176079,25.57181046,0.826604545,1.730313578,9.173935407,0.744546615,0.413962653,0.887876557,0.072059095,0.52456603,0.577920841,0.477577895,10.33244468,10.93630369,24.0962882,0.831814836,1.580064766 +UMLS0042,L,"Hexanoic acid, methyl ester",CCCCCC(=O)OC,7824,Co optima database valuese measured by NREL,Sandia,,C7H14O2,PubChem,,3.3,0,-0.4734,0.22410756,17.6206,13.70793,0,0,14,4,10,0,4,0,0,0,0,0,0,0,0,0,587.217124,553.863243,466.155986,281.592025,84.835296,9.144576,0,0,0,2004.905051,2417.916869,2702.016388,2068.222976,1061.424631,279.7536999,0,0,0,97.346704,93.797868,168.475592,186.21226,123.32736,60.466176,0,0,0,15.60172905,19.5021431,24.72432358,21.03814958,12.01662072,4.001516144,0,0,0,2356.353945,1911.608545,3876.645596,4616.702266,3137.747111,1664.258868,0,0,0,22.5,26.25,37,37,24,9,0,0,0,41.94408029,42.60486485,19.42316608,10.42933426,4.713072,1.016064,0,0,0,143.2075037,185.9936053,112.5840162,76.60085098,58.96803508,31.08374443,0,0,0,6.953336,7.215220615,7.019816333,6.89675037,6.85152,6.718464,0,0,0,1.114409218,1.500164854,1.030180149,0.779190725,0.66759004,0.444612905,0,0,0,168.310996,147.0468112,161.5268998,170.9889728,174.3192839,184.917652,0,0,0,1.607142857,2.019230769,1.541666667,1.37037037,1.333333333,1,0,0,0,0.020624385,-0.004400557,-0.008541261,-3.26E-04,-0.001770931,0.004726831,0,0,0,345.9028829,-61.76837194,-143.3026229,-27.17808365,-29.64881853,88.94645559,0,0,0,643.2211813,-114.8609252,-266.4773465,-50.5388071,-55.13324411,165.3997323,0,0,0,0.06776,-0.0121,-0.028072,-0.005324,-0.005808,0.017424,0,0,0,2.875497957,-0.513481778,-1.191277725,-0.225931982,-0.246471253,0.73941376,0,0,0,15.61975054,-2.789241168,-6.471039509,-1.227266114,-1.33883576,4.016507281,0,0,0,1.857142857,-0.724489796,-0.469387755,0.31122449,-0.459183673,0.413265306,0,0,0,0.00147317,-3.39E-04,-3.56E-04,-1.21E-05,-9.84E-05,5.25E-04,0,0,0,24.70734878,-4.751413226,-5.970942621,-1.006595691,-1.647156585,9.88293951,0,0,0,45.94437009,-8.835455786,-11.10322277,-1.87180767,-3.062958006,18.37774804,0,0,0,0.00484,-9.31E-04,-0.001169667,-1.97E-04,-3.23E-04,0.001936,0,0,0,0.205392711,-0.039498598,-0.049636572,-0.008367851,-0.013692847,0.082157084,0,0,0,1.115696467,-0.214557013,-0.269626646,-0.045454301,-0.074379764,0.446278587,0,0,0,0.132653061,-0.055729984,-0.019557823,0.011526833,-0.025510204,0.045918367,0,0,0,-0.229779543,-0.241578223,-0.008202871,-0.066784591,0.356512398,0,0,0,-0.192307692,-0.241666667,-0.040740741,-0.066666667,0.4,0,0,0,-0.192307692,-0.241666667,-0.040740741,-0.066666667,0.4,0,0,0,-0.192307692,-0.241666667,-0.040740741,-0.066666667,0.4,0,0,0,-0.192307692,-0.241666667,-0.040740741,-0.066666667,0.4,0,0,0,-0.192307692,-0.241666667,-0.040740741,-0.066666667,0.4,0,0,0,-0.420118343,-0.147435897,0.086894587,-0.192307692,0.346153846,0,0,0,1.785292158,1.282787775,0.825600072,0.817394078,0,0,0,0,1.75,1.327083333,0.842592593,0.758333333,0,0,0,0,1.75,1.327083333,0.842592593,0.758333333,0,0,0,0,1.75,1.327083333,0.842592593,0.758333333,0,0,0,0,1.75,1.327083333,0.842592593,0.758333333,0,0,0,0,1.75,1.327083333,0.842592593,0.758333333,0,0,0,0,2.019230769,1.020833333,0.712962963,1.166666667,0,0,0,0,10.32455532,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,1.78E-15,0,0,0,8.45234659,2.113086648,0.853777642,10.32455532,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,1.78E-15,0,0,0,8.45234659,2.113086648,0.853777642,10.32455532,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,1.78E-15,0,0,0,8.45234659,2.113086648,0.853777642,10.32455532,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,1.78E-15,0,0,0,8.45234659,2.113086648,0.853777642,10.32455532,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,1.78E-15,0,0,0,8.45234659,2.113086648,0.853777642,10.32455532,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,1.78E-15,0,0,0,8.45234659,2.113086648,0.853777642,12,5.958333333,9.979211373,11.95833333,2.989583333,5.962883372,-0.083333333,0,0,0,7.312569945,1.828142486,0.795837911,0,11.89,12.11003668,-0.170621073,0.049612125,4.799903802,5.768507446,3,13,13,13,3,0,0,0,0,0,10.93207,3.328621977,2.67958788,1.873188128,1.26132855,0.083923071,0.083923071,0.083923071,0.083923071,1.832621368,1.439488452,0.940448921,0.594475511,0.083923071,0.083923071,0.083923071,0.083923071,3.363954741,2.736305454,1.959737389,1.377906302,0.270913902,0.270913902,0.270913902,0.270913902,1.761700005,1.339544641,0.810683947,0.442319685,0.270913902,0.270913902,0.270913902,0.270913902,3.517202674,2.977133532,2.314688573,1.838399162,0.943918427,0.943918427,0.943918427,0.943918427,1.547338631,1.02331968,0.38035721,0.079265286,0.943918427,0.943918427,0.943918427,0.943918427,3.38987916,2.777675632,2.022190793,1.460949196,0.399277246,0.399277246,0.399277246,0.399277246,1.716028388,1.273979433,0.724041948,0.33953603,0.399277246,0.399277246,0.399277246,0.399277246,3.590436067,3.088638486,2.471939487,2.034236485,1.207644823,1.207644823,1.207644823,1.207644823,1.478725636,0.917569879,0.22885969,0.270483971,1.207644823,1.207644823,1.207644823,1.207644823,3.399981388,2.894077004,2.116980099,1.543159538,0.571428571,0.571428571,0.571428571,0.571428571,1.690549783,1.146727989,0.603829615,0.227376355,0.571428571,0.571428571,0.571428571,0.571428571,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,6.709139019,13.43918427,12.62745098,12.8,7.992772455,108.3985808,0.479224216,0.959941733,0.901960784,0.914285714,0.570912318,7.742755774,1.8064,20.582,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.8,0,0,0,0,0,0,0,0,0,0,0,4.361111111,0,2.638888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,1.319444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,1.319444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,1.75,0.2,2.180555556,0.2,1.319444444,3.155944444,0.180555556,0.180555556,0.722222222,0.180555556,0.180555556,0.722222222,2,0.5,0,0,0.41429,0.7,0.41429,0.41429,0.7,0,0,0,0,0.71429,0,0,0.5,0,0,1.5,0.375,1.5,0.375,0,0,-1.5,-0.375,0,0,2.95465,0.73866,2.95465,0,0,1.91421,0.47855,1.91421,0,0,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3,0,0,0,0,0,0,1,0.863120569,1.148834854,1.842370993,1.842370993,1.44132029,0.523882466,12.08368796,16.08368796,25.7931939,25.7931939,20.17848406,7.334354528,0.226698216,0.30174094,0.483897885,0.483897885,0.378562104,0.137597486,2.944234353,2.658520068,1.964983929,1.964983929,2.366034632,3.283472456,0.233248109,0.310459011,0.497878937,0.497878937,0.389499735,0.141573031,6.546092095,9.974663524,10.67362661,10.67362661,5.861018167,0.527981863,15.86062537,13.09255136,14.83406016,14.83406016,10.02145172,3.143294798,4,3,4,4,0,4,1.9,0.6722,0.333333333,2.828427125,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,1.77,2,1,0,0,0,0,0,0,0,10,1.386294361,1.098612289,0.693147181,0,0,0,0,0,0,0,2.397895273,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.333333333,3,1,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,0,77.7403972,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,58.07825032,4.148446451,6.871320344,1.717830086,0,0,0,10,1,2.616,10,1.207615385,2.075637186,2.804907462,3.488097614,4.721422713,0,0,0,0,0,61.06881987,45.76900548,34.93504552,19.3874857,4.797267648,0,0,0,0,0,247.0820973,251.229949,231.5205381,227.9199613,146.759497,0,0,0,0,0,8.743989366,14.61830322,19.38426135,24.00486353,31.72070853,0,0,0,0,0,1.933556328,2.251376117,2.288578021,2.506411321,2.099205468,0,0,0,0,0,175.6597976,331.7230453,476.7407941,599.5920089,873.0744024,0,0,0,0,0,2.507596154,3.300437663,3.962325931,4.916582061,4.721422713,0,0,0,0,0,0.403174038,0.481238651,0.498315796,0.553740656,0.483473686,0,0,0,0,0,308.3371088,74.64572099,7.378325385,160.8284036,-38.93515181,-9.699861179,147.5087052,113.5808728,17.07818656,0.65720327,0.159103172,0.015726487,0.34279673,-0.082988094,-0.020674711,144.6611376,35.02119793,3.46165581,75.45514036,-18.26703045,-4.55084034,0.108004056,0.269207615,2.601916055,17.88064912,469.1655123,0,1,0,186.2447074,13.64715016,5.710769702,283.1150683,16.82602354,6.566304143,242.6090631,15.57591291,6.236903247,1.772456863,1.576101964,142.2290853,132.9312702,22.69797826,1.069944529,6.266156558,5.856524697,2.856802787,3.220194404,5.261228039,0.633823111,2.789005534,2.845632051,1.521084503,6.008783601,3.567424353,0.143467533,1.184478626,6.656961858,1.281184098,0.006683872,3.96E-24,4.53E-67,9.99E-132,4.25E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234061908,2.845426268,0.096778603,2.068861152,0.027693835,0.001148244,0.155293471,0.321129024,0.009023484,4.71E-05,2.79E-26,3.19E-69,7.04E-134,2.99E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.755580372,2.845440412,0.332757861,2.452799366,0.268426899,0.010858517,0.365340117,1.193167919,0.094031664,4.91E-04,2.91E-25,3.32E-68,7.33E-133,3.12E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.632593716,2.845609597,1.414520093,5.618901831,3.180279212,0.127912951,1.121461333,6.120066074,1.141511966,0.00595521,3.53E-24,4.04E-67,8.90E-132,3.79E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.113586447,2.845458394,0.511007208,2.84115192,0.57673941,0.0232668,0.509540052,1.916870058,0.20424934,0.001065558,6.32E-25,7.22E-68,1.59E-132,6.77E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368128095,2.845726379,1.937637073,7.621158164,5.194376476,0.208827606,1.417816146,8.814047031,1.8684866,0.0097478,5.78E-24,6.61E-67,1.46E-131,6.20E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.639252232,2.555143688,0.721988759,3.407211246,1.170661215,0.04712165,0.813315532,3.338489944,0.418345828,0.002182489,1.29E-24,1.48E-67,3.26E-132,1.39E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.793218163,0.661344393,0.47486145,0.710846719,0.168305683,0.566036597,0.505702986,0.571406527,3.929424005,3.487717754,8.294343424,0.566270079,1.64314611,2.173345566,0.275378071,0.115292216,0.847633435,0.10740108,0.343038308,0.085987691,0.033683045,2.564015853,0.880810485,3.513827775,0.771450153,0.462709043,2.437234406,0.439917428,0.268447554,0.77480763,0.139851702,0.431146639,0.221442474,0.182612402,3.145599388,1.844546263,5.277970258,0.662211445,0.835201515,2.779542024,0.652847754,0.466935083,0.712826482,0.167425843,0.560513732,0.492611978,0.552489946,3.899324861,3.417320973,8.163954531,0.569239724,1.605615656,2.546976772,0.508239681,0.332102436,0.751915263,0.150041876,0.470765039,0.296577937,0.279483061,3.387318889,2.309119489,6.126336567,0.627872894,1.046826037,2.835550995,0.687639952,0.499394859,0.704907523,0.170944757,0.583304674,0.547328189,0.631974425,4.022585806,3.709301597,8.705626552,0.557361284,1.762607288,2.789128734,0.652496297,0.467303973,0.713527601,0.166924571,0.5643747,0.492425376,0.553363253,3.908929004,3.428181221,8.187554937,0.570291401,1.610163329 +UMLS0043,L,Butane,CCCC,7843,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C4H10,PubChem,,4.9,0,0.4708,0.22165264,18.9575,12.374344,0,0,12,4,8,0,4,0,0,0,0,0,0,0,0,0,585.184996,529.649067,426.78653,251.281465,67.647888,6.096384,0,0,0,1942.737562,2188.443636,2264.555306,1652.247277,791.2692929,186.5024666,0,0,0,83.909776,79.562604,126.967304,131.666212,82.617408,40.310784,0,0,0,14.71250324,17.27505448,20.04985193,16.14338353,8.680011884,2.667677429,0,0,0,1986.518641,1605.36345,2862.524997,3200.951258,2060.036303,1109.505912,0,0,0,27.25,29,34.5,33,20,6,0,0,0,48.76541633,48.14991518,23.71036278,13.22534026,5.637324,1.016064,0,0,0,161.8947969,198.9494215,125.8086281,86.960383,65.93910774,31.08374443,0,0,0,6.992481333,7.232964,7.053739111,6.929800632,6.884784,6.718464,0,0,0,1.226041937,1.570459498,1.113880663,0.849651765,0.723334324,0.444612905,0,0,0,165.54322,145.9421318,159.0291665,168.4711188,171.6696919,184.917652,0,0,0,2.270833333,2.636363636,1.916666667,1.736842105,1.666666667,1,0,0,0,0.036479594,-0.007533523,-0.014732324,-8.85E-05,-0.00330953,0.00742406,0,0,0,322.8426907,-53.80711511,-121.066009,-26.90355756,-40.35533633,80.71067267,0,0,0,600.3397692,-100.0566282,-225.1274134,-50.0283141,-75.04247115,150.0849423,0,0,0,0.063242667,-0.010540444,-0.023716,-0.005270222,-0.007905333,0.015810667,0,0,0,2.683798093,-0.447299682,-1.006424285,-0.223649841,-0.335474762,0.670949523,0,0,0,14.57843384,-2.429738973,-5.466912688,-1.214869486,-1.822304229,3.644608459,0,0,0,4.5625,-1.078125,-0.90625,0.171875,-1.3125,0.84375,0,0,0,0.003039966,-6.85E-04,-8.18E-04,-4.66E-06,-2.76E-04,0.001237343,0,0,0,26.90355756,-4.891555919,-6.725889389,-1.415976713,-3.362944694,13.45177878,0,0,0,50.0283141,-9.096057109,-12.50707852,-2.633069163,-6.253539262,25.01415705,0,0,0,0.005270222,-9.58E-04,-0.001317556,-2.77E-04,-6.59E-04,0.002635111,0,0,0,0.223649841,-0.040663607,-0.05591246,-0.011771044,-0.02795623,0.111824921,0,0,0,1.214869486,-0.220885361,-0.303717372,-0.063940499,-0.151858686,0.607434743,0,0,0,0.380208333,-0.098011364,-0.050347222,0.009046053,-0.109375,0.140625,0,0,0,-0.225287297,-0.26923406,-0.001531875,-0.090722773,0.407025373,0,0,0,-0.181818182,-0.25,-0.052631579,-0.125,0.5,0,0,0,-0.181818182,-0.25,-0.052631579,-0.125,0.5,0,0,0,-0.181818182,-0.25,-0.052631579,-0.125,0.5,0,0,0,-0.181818182,-0.25,-0.052631579,-0.125,0.5,0,0,0,-0.181818182,-0.25,-0.052631579,-0.125,0.5,0,0,0,-0.257783313,-0.132420091,0.023792358,-0.287671233,0.369863014,0,0,0,1.440263913,1.164860904,0.863568068,0.997734685,0.134831863,0,0,0,1.5,1.260416667,0.868421053,0.859375,0,0,0,0,1.5,1.260416667,0.868421053,0.859375,0,0,0,0,1.5,1.260416667,0.868421053,0.859375,0,0,0,0,1.5,1.260416667,0.868421053,0.859375,0,0,0,0,1.5,1.260416667,0.868421053,0.859375,0,0,0,0,1.534246575,0.887366819,0.856524874,1.406392694,0,0,0,0,8.746918077,4.373459039,7.441801052,8.746918077,2.186729519,4.399784092,-1.78E-15,0.117440778,0.029360194,-0.856728436,8.309434066,2.077358516,0.846956601,8.746918077,4.373459039,7.441801052,8.746918077,2.186729519,4.399784092,-1.78E-15,0.117440778,0.029360194,-0.856728436,8.309434066,2.077358516,0.846956601,8.746918077,4.373459039,7.441801052,8.746918077,2.186729519,4.399784092,-1.78E-15,0.117440778,0.029360194,-0.856728436,8.309434066,2.077358516,0.846956601,8.746918077,4.373459039,7.441801052,8.746918077,2.186729519,4.399784092,-1.78E-15,0.117440778,0.029360194,-0.856728436,8.309434066,2.077358516,0.846956601,8.746918077,4.373459039,7.441801052,8.746918077,2.186729519,4.399784092,-1.78E-15,0.117440778,0.029360194,-0.856728436,8.309434066,2.077358516,0.846956601,8.746918077,4.373459039,7.441801052,8.746918077,2.186729519,4.399784092,-1.78E-15,0.117440778,0.029360194,-0.856728436,8.309434066,2.077358516,0.846956601,12.2183814,5.9841907,10.39836053,12.0933814,3.02334535,5.989176542,-0.25,0.153140714,0.038285178,-0.750559233,8.38915803,2.097289507,0.850776065,0,11.79,12.21001914,-0.307078384,0.113097695,4.799472424,5.92451672,3,11,10,10,2,1,1,0,0,1,8.745656,3.369993099,2.670741202,1.685066329,0.922709785,0.083923071,0.083923071,0.083923071,0.083923071,1.796517734,1.359481757,0.805165896,0.351652747,0.083923071,0.083923071,0.083923071,0.083923071,3.397889288,2.720641436,1.775874165,1.04905415,0.270913902,0.270913902,0.270913902,0.270913902,1.732790953,1.266702246,0.669556827,0.190753407,0.270913902,0.270913902,0.270913902,0.270913902,3.522314024,2.935436809,2.149135827,1.546352704,0.943918427,0.943918427,0.943918427,0.943918427,1.547459632,0.977149278,0.21818736,0.365230612,0.943918427,0.943918427,0.943918427,0.943918427,3.418541064,2.757206163,1.841487294,1.139005698,0.399277246,0.399277246,0.399277246,0.399277246,1.692369289,1.206142947,0.578873033,0.081745968,0.399277246,0.399277246,0.399277246,0.399277246,3.583813084,3.036408653,2.314430349,1.756363431,1.207644823,1.207644823,1.207644823,1.207644823,1.490535974,0.881882264,0.05885292,0.570834933,1.207644823,1.207644823,1.207644823,1.207644823,3.450188597,2.811195233,1.845598679,1.187154694,0.470588235,0.470588235,0.470588235,0.470588235,1.728377245,1.110956832,0.551965181,0.020485004,0.470588235,0.470588235,0.470588235,0.470588235,0,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,2.991563832,1.523603362,0.696923425,0.288675135,0,0,0,0,0.747890958,0.507867787,0.348461713,0.288675135,0,0,0,0,6.167311215,11.55134741,10.90196078,11.04,7.194217964,92.11302036,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.50859,20.218,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,2,1,0,2,0,0,0,0,0,0,0,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.354166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0.359722222,0,0,0.533680556,0.290277778,0,0.766319444,0,0,0,0,0,0,0,0,2.0625,3.479166667,1.083333333,0,1.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0.359722222,0,0,0.243402778,0.290277778,0,0.359722222,0,0,0,0,0,0,0,0,2.0625,3.479166667,1.083333333,0,1.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.479166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0.359722222,0,0,0.290277778,0.290277778,0,0.406597222,0,0,0,0,0,0,0,0,2.0625,3.479166667,1.083333333,0,1.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.5,2.125,0.406597222,3.479166667,0.243402778,1.083333333,3.044541667,0.416666667,0.479166667,1.083333333,0.416666667,0.479166667,1.083333333,2,0.5,0,0,0.43333,0.7,0.41429,0.41429,0.7,0.01905,0.01905,0,0,0.71429,0,0,0.5,0,0,2.5,0.625,1.5,0.375,1,0.25,-0.5,-0.125,0,0,1.99591,0.49898,2.95465,0.95875,0.23969,1.34933,0.33733,1.91421,0.56488,0.14122,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3,0,0,0,0,0,0,0.5,0.918295834,2.221251836,2.855388542,2.855388542,2.257894792,0.930827083,11.01955001,26.65502203,34.26466251,34.26466251,27.09473751,11.169925,0.256152145,0.61960253,0.796490491,0.796490491,0.629823824,0.259647649,2.666666667,1.363710665,0.729573959,0.729573959,1.327067709,2.654135417,0.256152145,0.61960253,0.796490491,0.796490491,0.629823824,0.259647649,6.73287657,15.37414489,16.01324374,16.01324374,8.843318735,0.938110835,15.79950001,11.30124668,10.69198021,10.69198021,7.10701771,2.361654167,4,3,4,4,2,4,1.9,0.6292,0.333333333,2.828427125,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,1.663,2,1,0,0,0,0,0,0,0,10,1.609437912,1.386294361,1.098612289,0,0,0,0,0,0,0,2.63905733,1.3,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.333333333,2,0.666666667,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,0,75.1039385,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,56.06260026,4.671883355,6.871320344,1.717830086,0,0,0,10,1,2.25,10,1.202272727,2.100468149,2.863150544,3.592438326,4.791144416,0,0,0,0,0,66.90222105,56.01398019,44.55773169,23.29835151,4.86810936,0,0,0,0,0,260.2497686,282.9111972,267.9399469,259.860931,148.9267086,0,0,0,0,0,8.724835344,14.86211881,19.88341516,24.84281006,32.18913128,0,0,0,0,0,2.002377113,2.456310925,2.547931469,2.78228388,2.130204636,0,0,0,0,0,173.6667057,330.6758999,479.3215504,607.978928,885.967176,0,0,0,0,0,3.264272727,4.181218414,5.193645257,6.407557504,4.791144416,0,0,0,0,0,0.416284773,0.522181042,0.551095897,0.611629732,0.490613188,0,0,0,0,0,286.7902338,84.2287473,10.15177386,181.3014757,-53.2472671,-11.27774078,105.4887581,137.4760144,21.42951464,0.612679584,0.179940695,0.021687575,0.387320416,-0.11375392,-0.024093015,134.2441308,39.4267783,4.751961179,84.86571766,-24.92460428,-5.279016959,0.192789345,0.349475334,5.454800957,9.4738351,468.0917094,0,1,0,206.8946702,14.38383364,5.914478185,285.0278957,16.8827692,6.581059069,264.4605705,16.26224371,6.418797037,1.70502139,1.466135249,132.8825362,121.4095229,18.17309486,1.094498463,7.312047684,6.680729058,2.728819893,3.19886722,5.260090829,0.644360477,2.476191103,2.01784483,3.07105848,3.085834795,3.779833838,1.246225129,0.150918398,1.883615725,0.003219878,0.006329754,3.35E-24,3.42E-67,6.73E-132,2.55E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.207820268,2.01774154,0.145896662,1.886173363,0.030954687,0.08649394,0.008367528,0.104604634,2.27E-05,4.46E-05,2.36E-26,2.41E-69,4.74E-134,1.80E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.670843116,2.017748685,0.544664133,2.063255672,0.288550755,0.284130924,0.028514869,0.372912171,2.36E-04,4.65E-04,2.46E-25,2.51E-68,4.94E-133,1.87E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.337323066,2.017833576,2.821822975,2.988409052,3.370747432,1.161398867,0.139025206,1.741159448,0.002868854,0.005639697,2.98E-24,3.04E-67,5.99E-132,2.27E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.988693785,2.017757728,0.877290938,2.204946617,0.616108262,0.431408814,0.045002925,0.585252851,5.13E-04,0.001009104,5.34E-25,5.45E-68,1.07E-132,4.07E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.990356939,2.017892099,4.073525869,3.47378974,5.498399346,1.575999648,0.198548668,2.449156726,0.004695885,0.009231352,4.88E-24,4.98E-67,9.81E-132,3.72E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.194662128,1.38714446,1.086607559,2.161061874,0.853513486,0.387819331,0.053235588,0.822789897,7.13E-04,0.001401745,7.42E-25,7.57E-68,1.49E-132,5.65E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.824008981,0.751661312,0.277002512,0.732999952,0.195101258,0.543077654,0.495458849,0.333320474,3.852672805,3.11316795,7.553833517,0.599499928,1.371856978,2.130246309,0.264452219,0.059717373,0.867923936,0.10774548,0.30881677,0.060504048,0.015491589,2.454415902,0.706353471,3.194411057,0.801885903,0.384812406,2.405526919,0.458215262,0.146015978,0.799242594,0.152243216,0.393820244,0.182797804,0.092617987,3.009758158,1.520401261,4.691105406,0.698863892,0.669236035,2.806808727,0.739624032,0.271623145,0.735140814,0.193717444,0.536464913,0.479598245,0.320500064,3.818055904,3.039276408,7.421217394,0.602711222,1.336563221,2.528345835,0.544468407,0.184482818,0.77620978,0.167153439,0.435113995,0.258710629,0.147844925,3.257297059,1.943485859,5.454742782,0.66431467,0.841669548,2.877865609,0.789339595,0.293843877,0.726541265,0.199275389,0.564048848,0.546786187,0.375083418,3.961049081,3.34919907,7.977747802,0.589811897,1.485918454,2.819854281,0.736226325,0.270610147,0.73689108,0.192392428,0.541468209,0.475235346,0.31811396,3.826690754,3.038362451,7.426853659,0.60533662,1.334817515 +UMLS0044,L,1-Butene,CCC=C,7844,[9] has RON of 98.8,"Sandia, UML",[1],C4H8,PubChem,,17.6,0,3.1663,10.02545569,38.157,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1674.79369,1290.353741,1097.063862,399.533904,45.72288,0,0,3885.475125,4800.404174,6735.600534,7510.205478,6043.52245,3786.30834,1398.768499,0,0,167.819552,166.665724,297.581032,372.231284,554.716248,234.881856,302.33088,0,0,29.42500648,37.33900896,54.15737825,66.28108257,59.44440754,36.74696223,20.00758072,0,0,3973.037281,3337.521256,6612.996548,7830.731523,14184.45858,5053.044075,8321.294341,0,0,47.59027778,53.20833333,76,108.25,112.25,75,45,0,0,48.76541633,52.3287937,39.87604024,24.81449502,13.5439983,12.107088,1.016064,0,0,161.8947969,208.713225,160.3714413,144.4270284,74.61138827,114.7366164,31.08374443,0,0,6.992481333,7.246335826,7.085262667,7.158293923,6.848348741,7.117632,6.718464,0,0,1.226041937,1.623435172,1.289461387,1.274636203,0.733881575,1.11354431,0.444612905,0,0,165.54322,145.1096198,157.4522988,150.5909908,175.1167726,153.1225477,184.917652,0,0,1.982928241,2.313405797,1.80952381,2.081730769,1.385802469,2.272727273,1,0,0,0.045694943,-0.00805536,0.008393324,-0.050392712,0.051517313,-0.064313591,0.040003554,0,0,645.6853813,-53.80711511,242.132018,-995.4316296,766.7513903,-887.8173993,605.330045,0,0,1200.679538,-100.0566282,450.2548269,-1851.047622,1425.806952,-1650.934365,1125.637067,0,0,0.126485333,-0.010540444,0.047432,-0.194998222,0.150201333,-0.173917333,0.11858,0,0,5.367596186,-0.447299682,2.01284857,-8.27504412,6.374020471,-7.380444756,5.032121424,0,0,29.15686767,-2.429738973,10.93382538,-44.95017099,34.62378036,-40.09069305,27.33456344,0,0,6.464988426,-2.938958816,4.194372106,-8.817081404,9.859483507,-9.827727141,4.297417535,0,0,0.001903956,-3.50E-04,2.00E-04,-9.69E-04,6.36E-04,-0.001948897,8.89E-04,0,0,26.90355756,-2.339439787,5.765048048,-19.14291595,9.466066547,-26.90355756,13.45177878,0,0,50.0283141,-4.350288182,10.72035302,-35.59706965,17.60255496,-50.0283141,25.01415705,0,0,0.005270222,-4.58E-04,0.001129333,-0.003749966,0.001854337,-0.005270222,0.002635111,0,0,0.223649841,-0.019447812,0.047924966,-0.159135464,0.078691611,-0.223649841,0.111824921,0,0,1.214869486,-0.105640825,0.260329176,-0.864426365,0.427454079,-1.214869486,0.607434743,0,0,0.269374518,-0.127780818,0.099866003,-0.169559258,0.121722019,-0.297809913,0.095498167,0,0,-0.183950175,0.104960961,-0.508987935,0.334049855,-1.023603878,0.466905689,0,0,-0.086956522,0.214285714,-0.711538462,0.351851852,-1,0.5,0,0,-0.086956522,0.214285714,-0.711538462,0.351851852,-1,0.5,0,0,-0.086956522,0.214285714,-0.711538462,0.351851852,-1,0.5,0,0,-0.086956522,0.214285714,-0.711538462,0.351851852,-1,0.5,0,0,-0.086956522,0.214285714,-0.711538462,0.351851852,-1,0.5,0,0,-0.474361195,0.370732924,-0.629455448,0.451869091,-1.105560822,0.354518194,0,0,1.509126189,0.874871905,1.640375021,0.417348028,2.46294679,0.092523161,0,0,1.5,0.924107143,1.948918269,0.372685185,2.15625,0,0,0,1.5,0.924107143,1.948918269,0.372685185,2.15625,0,0,0,1.5,0.924107143,1.948918269,0.372685185,2.15625,0,0,0,1.5,0.924107143,1.948918269,0.372685185,2.15625,0,0,0,1.5,0.924107143,1.948918269,0.372685185,2.15625,0,0,0,1.869041758,0.348233068,1.897114567,0.160587209,3.23420392,0,0,0,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,49.38217786,24.4515056,38.12820114,49.02280286,6.127850358,24.4515056,-0.479166667,0.047167883,0.005895985,-2.443233646,24.13005029,3.016256286,2.546766371,0,11.89,12.11011416,-0.157663215,0.06393858,5.956422937,8.994597207,7,23,22,22,6,1,1,0,0,1,17.491312,3.610670307,3.211917666,2.333552793,2.333552793,2.256677967,2.079746185,0.52987105,0.387029567,1.939401255,1.662868225,1.249629723,1.249629723,1.154114088,0.983836891,0.083923071,0.083923071,3.631157042,3.240456119,2.405454588,2.405454588,2.32661669,2.147221647,0.620760598,0.507406576,1.887974042,1.594388963,1.134540686,1.134540686,1.041028853,0.866571206,0.270913902,0.270913902,3.724077235,3.370020408,2.704236987,2.704236987,2.618578049,2.435540579,0.970133649,0.96148215,1.743193029,1.396566423,0.76031856,0.76031856,0.673552967,0.490845944,0.943918427,0.943918427,3.64639981,3.26171786,2.457539916,2.457539916,2.377370979,2.19660799,0.685161021,0.591961865,1.855794442,1.551021429,1.058262671,1.058262671,0.966078727,0.789215945,0.399277246,0.399277246,3.771044676,3.435106011,2.838982085,2.838982085,2.750724254,2.568931756,1.207644823,1.207644823,1.700088386,1.336624416,0.631337262,0.631337262,0.547183156,0.364153036,1.110382943,1.142438647,3.629789626,3.318148699,2.534091447,2.529754755,2.529754755,2.230317096,0.651809066,0.569766724,1.921925189,1.484793163,0.972997998,0.972997998,0.893857215,0.633347091,0.518918919,0.518918919,0,0,1,0,1,4,1,0,1,0,0,0,0,0,0,0,0,0,0,1.968908462,0.353553391,0,0,1.810660172,0.353553391,0,0,0.816496581,2.041241452,1.020620726,0.655330086,1.457106781,0.676776695,6.78445705,3.416502219,4.158631167,1.020620726,1.224744871,0,0,0,0.848057131,0.488071746,0.415863117,0.204124145,0.204124145,0,0,0,6.414213562,3.060660172,3.694543648,0.832106781,0.905330086,0,0,0,0.801776695,0.437237167,0.369454365,0.166421356,0.150888348,0,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,4,1,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.115949074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348819444,0,0,0,0.967152778,0.580555556,0,0.348819444,0,0,0,0,0,0,0,0,8.746319444,3.840486111,1.131944444,0,0,0,0,0,0,1.275462963,0,0,0.422453704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.275462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348819444,0,0,0,0.225625,0.290277778,0,0.348819444,0,0,0,0,0,0,0,0,2.074652778,3.840486111,1.131944444,0,0,0,0,0,0,1.275462963,0,0,0.422453704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.840486111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348819444,0,0,0,0.290277778,0.290277778,0,0.348819444,0,0,0,0,0,0,0,0,2.223888889,3.840486111,1.131944444,0,0,0,0,0,0,1.275462963,0,0,0.422453704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.41666667,1.927083333,0.348819444,3.840486111,0.043402778,0.422453704,5.468942685,0.827546296,0.840486111,3.173611111,0.827546296,0.840486111,3.173611111,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.625,0.125,0.125,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,8.28712,1.03589,9.73928,1.45216,0.18152,2.87519,0.3594,3.41649,0.5413,0.06766,0.49751,0.06219,0.49751,0.06219,0,7,0,0,0,0,0,0,0.75,0.918295834,2.082551817,2.833333333,2.833333333,2.642293229,1.961466146,22.03910002,49.98124361,68,68,63.4150375,47.0751875,0.200284263,0.45421349,0.617962161,0.617962161,0.576295494,0.427804185,3.666666667,2.502410684,1.751629167,1.751629167,1.942669272,2.623496355,0.200284263,0.45421349,0.617962161,0.617962161,0.576295494,0.427804185,6.73287657,16.72064472,17.47730113,17.47730113,15.18481988,10.2987728,31.59900002,19.42915877,19.57694219,19.57694219,18.43070156,15.54072656,8,2.52,7.2,8,2,5,2.34,1.1928,3.298769777,2.5,2.58640929,3.221970075,0,1,1,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.155,0.135,0.064,0.154,3.224,10,5,6,0,0,0,0,0,0,36,2.197224577,2.564949357,1.945910149,2.302585093,0,0,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,2,4,1,4,0.666666667,0.75,0,0,0,0,0,0,0,0.571428571,0.066666667,0.15,0,0,0,0,0,0,0,0.788095238,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,0,144.287877,4,3.555348061,4.17438727,5.056245805,5.686975356,6.577861358,7.211556733,8.105005538,8.739536423,9.633841843,73.74075839,2.708050201,0,4.007333185,0,5.416100402,0,6.882437471,0,8.379079889,8.635687085,112.1252005,4.671883355,14.27908074,1.784885093,0,0,0,66,5,3.995,34,1.226391304,2.122827541,3.001081423,3.466999628,4.267526705,4.641581648,0,0,0,0,74.73814722,97.23810673,77.48127974,51.73940796,51.66732135,4.716144016,0,0,0,0,280.6431588,375.4189098,440.4722741,273.5326822,489.6415744,144.2777377,0,0,0,0,8.920641989,15.11613074,21.49225756,23.78171194,30.37468463,31.18429921,0,0,0,0,2.124868553,2.947816891,3.86345699,2.63867727,4.75208008,2.0637071,0,0,0,0,175.8569114,328.8841386,451.3359847,604.2908036,653.4545614,858.3103801,0,0,0,0,2.884896739,4.074284291,6.268878606,4.892084028,9.501570859,4.641581648,0,0,0,0,0.4404825,0.616488906,0.820669503,0.574353434,1.024206409,0.475297961,0,0,0,0,378.5082459,175.4856545,11.28326625,174.4771183,-80.89184748,-11.66436902,204.0311276,256.377502,22.94763527,0.68448149,0.317342313,0.020404276,0.31551851,-0.146282077,-0.02109345,209.3095202,97.04099855,6.239481095,96.4832928,-44.73200774,-6.45022535,0.115248115,0.215030286,1.708181319,8.094607765,552.9853642,0,1,0,457.3961477,21.38682182,7.704849633,612.8133496,24.75506715,8.493944243,831.5107869,28.83592875,9.403494954,1.568682102,1.568682102,395.9470608,360.8314307,150.0026356,1.097318657,2.639600692,2.405500604,3.945557205,3.480903102,6.533428096,0.876934779,4.625737202,5.969182007,4.833867253,20.01946838,1.938096873,11.40167649,6.391314562,6.214192258,6.435939819,0.716710377,3.023401943,1.788546757,7.03E-10,5.33E-41,7.79E-94,2.20E-168,1.19E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,0.388216777,5.863019005,0.300572887,10.16693754,0.81919738,0.447997192,0.312378409,0.367137864,1.037611936,0.012675959,0.057447806,0.012596881,4.95E-12,3.75E-43,5.49E-96,1.55E-170,8.41E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.253185036,5.870113599,1.039539364,11.94517149,0.946779649,1.781373764,0.887242419,1.235825554,1.634041975,0.072200573,0.314786545,0.131269213,5.16E-11,3.91E-42,5.72E-95,1.61E-169,8.77E-266,0,0,0,0,0,0,0,0,0,0,0,0,0,4.366319238,5.957526442,4.490408725,19.33391911,1.833935773,10.41182446,5.783566037,5.74132895,5.926634641,0.643828447,2.718690692,1.593562961,6.26E-10,4.75E-41,6.94E-94,1.96E-168,1.06E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,1.84695863,5.879311595,1.602155443,13.23501954,1.064293147,2.964666772,1.479610736,1.928598429,2.193561093,0.138058273,0.594792412,0.285134271,1.12E-10,8.49E-42,1.24E-94,3.50E-169,1.90E-265,0,0,0,0,0,0,0,0,0,0,0,0,0,5.586245157,6.018191959,6.180402123,22.65129007,2.364251059,15.4291665,8.90904037,8.095464862,8.52470821,1.020373953,4.291424123,2.608427355,1.03E-09,7.77E-41,1.14E-93,3.20E-168,1.74E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,2.610296131,4.087026154,1.905552413,14.90293494,1.149313142,4.098193008,2.063288755,2.549292647,2.928322062,0.219711424,0.940762809,0.481614227,1.89E-10,1.43E-41,2.10E-94,5.92E-169,3.22E-265,0,0,0,0,0,0,0,0,0,0,0,0,0,3.498140359,1.4237705,0.969412012,0.593778415,0.241672462,0.486935862,0.535861851,0.404148783,5.89132287,9.751908555,20.4714355,0.390667623,1.426946496,2.711650873,0.825400572,0.512235797,0.669661279,0.203838484,0.292814365,0.182216045,0.112840326,4.049287242,4.050002546,9.245775016,0.504491919,0.587870735,3.023774367,1.063298286,0.69381135,0.632471812,0.222406209,0.363940278,0.301069596,0.207017606,4.780884003,6.050831496,13.06243978,0.448707718,0.87202748,3.478645727,1.408979914,0.958093617,0.595075742,0.241027639,0.481526317,0.524950372,0.394766577,5.845719258,9.584144886,20.12580859,0.392613614,1.401243266,3.163008678,1.169231066,0.774747048,0.619349297,0.228947345,0.398175733,0.363289589,0.258133483,5.106986792,7.054677961,15.02690247,0.429023945,1.019598805,3.559179767,1.470068952,1.004846885,0.589844775,0.243627057,0.504070663,0.570717314,0.434234438,6.034095604,10.28586458,21.57755992,0.384767163,1.509022415,3.482104661,1.412405141,0.9578763,0.594988882,0.241338339,0.482501108,0.528309592,0.394587513,5.852386102,9.606477463,20.16983573,0.392483322,1.405398213 +UMLS0045,L,"2,4,4-Trimethyl-1-Pentene",CC(=C)CC(C)(C)C,7868,"Sandia MON averaged between two sources one being [9], I think because one of those averaged values matched UML mon value we should ue that sensitivity","Sandia, UML","[1], [9]",C8H16,PubChem,,19.5,0,3.1124,9.68703376,39.2295,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1663.702666,1254.032477,1099.01031,435.855168,54.867456,0,0,3885.475125,4800.404174,6651.947662,7165.995629,5847.421622,4130.518189,1678.522199,0,0,167.819552,166.665724,297.181864,350.878388,494.64924,256.234752,362.797056,0,0,29.42500648,37.33900896,53.48844684,62.94044964,56.1118228,40.08759516,24.00909686,0,0,3973.037281,3337.521256,6644.791652,7371.36388,12488.40461,5512.411718,9985.553209,0,0,44.34027778,52,77.25,103,97.5,72,54,0,0,48.76541633,52.3287937,39.61196824,25.59249953,15.26403208,12.107088,1.016064,0,0,161.8947969,208.713225,158.3797062,146.2448088,81.21418919,114.7366164,31.08374443,0,0,6.992481333,7.246335826,7.075758667,7.160783429,6.870128333,7.117632,6.718464,0,0,1.226041937,1.623435172,1.273534449,1.284498972,0.779330872,1.11354431,0.444612905,0,0,165.54322,145.1096198,158.2093251,150.4359975,173.450064,153.1225477,184.917652,0,0,1.847511574,2.260869565,1.839285714,2.102040816,1.354166667,2,1,0,0,0.039438195,-0.005821201,0.020418294,-0.061448704,0.038695793,-0.046791997,0.035228717,0,0,645.6853813,-53.80711511,282.4873543,-914.7209569,605.330045,-968.528072,726.396054,0,0,1200.679538,-100.0566282,525.297298,-1700.962679,1125.637067,-1801.019308,1350.764481,0,0,0.126485333,-0.010540444,0.055337333,-0.179187556,0.11858,-0.189728,0.142296,0,0,5.367596186,-0.447299682,2.348323331,-7.604094597,5.032121424,-8.051394279,6.038545709,0,0,29.15686767,-2.429738973,12.75612961,-41.30556253,27.33456344,-43.73530151,32.80147613,0,0,4.513599537,-2.582766686,5.137948495,-8.272268036,6.360243056,-7.384982639,4.485026042,0,0,0.001643258,-2.53E-04,4.86E-04,-0.001254055,5.37E-04,-0.001299778,6.52E-04,0,0,26.90355756,-2.339439787,6.725889389,-18.66777463,8.407361736,-26.90355756,13.45177878,0,0,50.0283141,-4.350288182,12.50707852,-34.71352407,15.63384816,-50.0283141,25.01415705,0,0,0.005270222,-4.58E-04,0.001317556,-0.003656889,0.001646944,-0.005270222,0.002635111,0,0,0.223649841,-0.019447812,0.05591246,-0.155185604,0.069890575,-0.223649841,0.111824921,0,0,1.214869486,-0.105640825,0.303717372,-0.842970664,0.379646714,-1.214869486,0.607434743,0,0,0.188066647,-0.112294204,0.122332107,-0.168821797,0.088336709,-0.205138407,0.083056038,0,0,-0.154020659,0.295845097,-0.763151672,0.327058518,-0.790975967,0.397006195,0,0,-0.086956522,0.25,-0.693877551,0.3125,-1,0.5,0,0,-0.086956522,0.25,-0.693877551,0.3125,-1,0.5,0,0,-0.086956522,0.25,-0.693877551,0.3125,-1,0.5,0,0,-0.086956522,0.25,-0.693877551,0.3125,-1,0.5,0,0,-0.086956522,0.25,-0.693877551,0.3125,-1,0.5,0,0,-0.597097919,0.6504721,-0.897670049,0.469709597,-1.09077505,0.441630874,0,0,1.49548127,0.81484193,2.233681592,0.507327567,1.699828658,0.003865837,0,0,1.5,0.872767857,1.93622449,0.44921875,2.15625,0,0,0,1.5,0.872767857,1.93622449,0.44921875,2.15625,0,0,0,1.5,0.872767857,1.93622449,0.44921875,2.15625,0,0,0,1.5,0.872767857,1.93622449,0.44921875,2.15625,0,0,0,1.5,0.872767857,1.93622449,0.44921875,2.15625,0,0,0,2.0585935,0.237176376,2.3636994,0.154817617,2.547855632,0,0,0,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,38.51339261,19.15461297,27.88185843,38.36026761,4.795033452,19.15461299,-0.204166667,0.100468985,0.012558623,-1.838324964,23.30135062,2.912668828,2.51880906,0,11.89,12.11011416,-0.149585895,0.073619716,6.0926875,9.078895313,7,23,22,22,6,1,1,0,0,1,17.491312,3.636381628,3.154776519,2.333552793,2.333552793,2.333552793,2.041566206,0.586636054,0.293902613,1.935388355,1.657005365,1.249629723,1.249629723,1.249629723,0.86910009,0.083923071,0.083923071,3.654187565,3.187392962,2.405454588,2.405454588,2.405454588,2.104520267,0.666603054,0.432521154,1.886862917,1.582665948,1.134540686,1.134540686,1.134540686,0.76295443,0.270913902,0.270913902,3.736376012,3.334211987,2.704236987,2.704236987,2.704236987,2.370836971,0.973746946,0.955639676,1.753573626,1.364004428,0.76031856,0.76031856,0.76031856,0.421478257,0.943918427,0.943918427,3.667509136,3.21163431,2.457539916,2.457539916,2.457539916,2.150438439,0.723235299,0.529946743,1.856795931,1.535235373,1.058262671,1.058262671,1.058262671,0.692900887,0.399277246,0.399277246,3.778804038,3.407069517,2.838982085,2.838982085,2.838982085,2.492774593,1.207644823,1.207644823,1.714933345,1.296585846,0.631337262,0.631337262,0.631337262,0.305274178,1.097028706,1.164050983,3.640767746,3.227818486,2.557155175,2.557155175,2.557155175,2.238146707,0.67242173,0.576478853,1.874452504,1.490716036,0.948216627,0.948216627,0.948216627,0.599403529,0.536312849,0.536312849,0,0,0,1,1,5,0,0,1,0,0,0,0,0,0,0,0,0,0,1.968908462,0.353553391,0,0,1.654700538,0.288675135,0,0,0.816496581,2.041241452,1.020620726,0.577350269,1.443375673,0.721687836,6.78445705,3.416502219,4.158631167,1.020620726,1.224744871,0,0,0,0.848057131,0.488071746,0.415863117,0.204124145,0.204124145,0,0,0,6.577350269,3.077350269,3.58771324,0.721687836,0.866025404,0,0,0,0.822168784,0.439621467,0.358771324,0.144337567,0.144337567,0,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,2,0,1,0,0,0,0,0,0,0,0,5,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.671296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.248611111,0,0,0.730208333,0.580555556,0,0.248611111,0,0,0,0,0,0,0,0,10.88541667,0,0,0,2.270833333,0,0,0,0,1.400462963,0,0,0.359953704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.400462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.248611111,0,0,0.243402778,0.290277778,0,0.248611111,0,0,0,0,0,0,0,0,2.130208333,0,0,0,2.270833333,0,0,0,0,1.400462963,0,0,0.359953704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.270833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.248611111,0,0,0.243402778,0.290277778,0,0.248611111,0,0,0,0,0,0,0,0,2.208333333,0,0,0,2.270833333,0,0,0,0,1.400462963,0,0,0.359953704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.91666667,1.864583333,0.290277778,2.270833333,0.050347222,0.359953704,5.229056713,0.890046296,0.270833333,2.3125,0.890046296,0.270833333,2.3125,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.625,0.125,0.125,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,8.51038,1.0638,9.73928,1.22889,0.15361,2.86803,0.3585,3.41649,0.54846,0.06856,0.49751,0.06219,0.49751,0.06219,0,7,0,0,0,0,0,0,0.75,0.918295834,1.861702233,2.468546354,2.468546354,2.27750625,1.704385937,22.03910002,44.68085358,59.2451125,59.2451125,54.66015,40.90526249,0.200284263,0.406045247,0.538400555,0.538400555,0.496733888,0.371733888,3.666666667,2.723260268,2.116416147,2.116416147,2.307456251,2.880576563,0.200284263,0.406045247,0.538400555,0.538400555,0.496733888,0.371733888,6.73287657,15.5820524,16.1936451,16.1936451,13.90116385,9.123666347,31.59900002,20.32164859,21.74047604,21.74047604,20.59423542,18.11071406,8,2.52,7.2,8,2,5,2.34,1.1928,3.298769777,2.5,2.58640929,3.221970075,0,1,1,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.123,0.124,0.163,3.271,10,5,6,0,0,0,0,0,0,36,2.197224577,2.63905733,2.397895273,2.564949357,0,0,0,0,0,0,3.951243719,1.416666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,6,0.857142857,0,2,4,1,4,0.666666667,0.75,0,0,0,0,0,0,0,0.571428571,0.066666667,0.15,0,0,0,0,0,0,0,0.788095238,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,0,144.287877,4,3.555348061,4.17438727,5.056245805,5.686975356,6.577861358,7.211556733,8.105005538,8.739536423,9.633841843,73.74075839,2.708050201,0,4.007333185,0,5.416100402,0,6.882437471,0,8.379079889,8.635687085,112.1252005,4.671883355,14.27908074,1.784885093,0,0,0,66,5,3.752,34,1.532299407,2.344086391,3.020304406,3.384606464,3.915001136,4.293606309,0,0,0,0,102.9834754,99.97065552,73.75969993,51.96637433,47.39926327,4.362578801,0,0,0,0,373.0827774,395.4979654,433.4387373,272.7546818,449.1939834,133.4613612,0,0,0,0,11.1765132,16.65692113,21.61642643,23.23580944,27.86553736,28.84643942,0,0,0,0,2.776625737,3.145166008,3.834733762,2.61565633,4.359527238,1.908992773,0,0,0,0,217.8091721,365.5370332,455.0672312,588.4512555,599.4749482,793.9635973,0,0,0,0,3.578917866,4.498638191,6.327773687,4.576454372,7.830002271,4.293606309,0,0,0,0,0.573788965,0.659321306,0.81563339,0.568698391,0.939600273,0.439665286,0,0,0,0,346.4533979,151.162127,9.721955598,92.01875417,-40.14898018,-4.926495155,254.4346438,191.3111072,14.64845075,0.790137746,0.344747383,0.022172344,0.209862254,-0.091565633,-0.011235594,151.910167,66.28038316,4.262806794,40.34766118,-17.60420974,-2.160130933,0.13218865,0.183091419,3.374623391,3.477818844,438.4721521,0,1,0,293.7079785,17.13791057,6.647197481,430.8963167,20.75804222,7.55308306,782.9983827,27.98210826,9.216944131,1.233340139,1.04721727,372.5493724,334.6879629,173.8514892,1.113124503,2.14291735,1.925137165,3.953077598,3.620223298,6.584423749,0.818789397,6.535468372,3.553055261,9.120164863,17.28364481,12.21868962,19.9886838,11.01816369,9.224645054,3.773675259,2.299654819,2.876686761,0.490301596,3.16E-08,3.93E-37,9.41E-88,4.35E-160,3.88E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,0.522918327,3.251661371,0.830860367,5.644401523,1.355095328,1.771218104,0.933109466,0.450007889,0.230264109,0.175618397,0.032176749,0.003453234,2.23E-10,2.77E-39,6.63E-90,3.06E-162,2.73E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,1.704885127,3.271801626,2.103109395,7.96069461,3.214195177,4.110737018,2.100374403,1.666273739,0.467280041,0.578365577,0.241747064,0.035985363,2.32E-09,2.88E-38,6.91E-89,3.19E-161,2.85E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,6.151350645,3.519965035,8.464197183,16.55004084,11.42684117,18.38555991,10.08544807,8.48411413,3.384724011,2.158721881,2.571280992,0.436849895,2.81E-08,3.50E-37,8.39E-88,3.88E-160,3.46E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,2.529725572,3.297914055,3.101108278,9.568431287,4.596822751,6.126213153,3.16631347,2.671879458,0.774367625,0.863988186,0.495784373,0.078165017,5.04E-09,6.26E-38,1.50E-88,6.94E-161,6.19E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,7.975888511,3.69219508,11.71753125,20.02375969,15.2945051,26.47826261,14.82960724,12.19739086,5.409109444,2.833843261,4.15651057,0.715058799,4.61E-08,5.73E-37,1.37E-87,6.35E-160,5.66E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,3.523504568,3.153520732,4.235009567,11.1738129,6.098602794,8.51784247,4.754345619,4.00735246,1.262852495,1.257896042,0.872007069,0.14102617,9.09E-09,1.13E-37,2.71E-88,1.25E-160,1.12E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,3.045500904,1.63377395,1.060337972,0.530610861,0.284648808,0.413266055,0.387314648,0.409870512,5.739612826,9.937272852,20.95276696,0.295916292,1.210451215,2.385169389,0.944553678,0.606823536,0.605904014,0.239944747,0.25183844,0.127775988,0.13285241,3.936546603,4.273474844,9.577146643,0.408856021,0.512466838,2.644702421,1.219175832,0.788787729,0.568427313,0.262038117,0.309610479,0.213927155,0.22577348,4.652665981,6.272137025,13.46813646,0.352640969,0.749311114,3.028888819,1.616798959,1.049286209,0.531852968,0.28389927,0.40860361,0.379175968,0.401328523,5.694973987,9.771760406,20.60519839,0.297779452,1.1891081,2.761580506,1.341206403,0.869082954,0.555441028,0.269758952,0.337972744,0.259497464,0.274579833,4.971869863,7.269511624,15.46033392,0.333161541,0.872050041,3.097588989,1.686889972,1.094886154,0.526857735,0.286917029,0.428097817,0.413360886,0.437141273,5.879365115,10.46375157,22.06421633,0.290286603,1.278599975,3.03350605,1.618439638,1.047329692,0.532261708,0.283972879,0.409839747,0.37986715,0.399684879,5.699275379,9.781667276,20.62285641,0.298392563,1.189391776 +UMLS0046,L,"2,4,4-Trimethyl-2-Pentene",CC(=CC(C)(C)C)C,7869,,"Sandia, UML","[1], [4]",C8H16,PubChem,,17.3,0,0.5918,0.35022724,27.5299,19.895102,0,0,20,6,14,0,6,0,0,0,0,0,0,0,0,0,879.809622,890.819837,974.639069,741.651627,487.49333,160.526016,18.289152,0,0,2976.273833,3723.897138,4754.238025,4583.736898,3354.775021,1843.095563,559.5073998,0,0,139.301592,137.349428,253.958324,314.377068,309.563336,186.188544,120.932352,0,0,22.95798067,29.53412034,41.10612815,43.09479573,34.06119458,20.03172529,8.003032287,0,0,3349.613265,2777.687448,5730.516907,7383.84195,7759.916289,4611.235353,3328.517736,0,0,32.27777778,37.91666667,56.66666667,68.33333333,60,39,18,0,0,43.9904811,46.88525458,27.07330747,16.48114727,10.83318511,5.945408,1.016064,0,0,148.8136916,195.9945862,132.0621674,101.86082,74.55055603,68.26279863,31.08374443,0,0,6.9650796,7.228917263,7.054397889,6.986157067,6.879185244,6.895872,6.718464,0,0,1.147899033,1.554427386,1.141836893,0.957662127,0.756915435,0.741915752,0.444612905,0,0,167.4806632,146.1940762,159.1810252,164.0853767,172.4425842,170.7864946,184.917652,0,0,1.613888889,1.995614035,1.574074074,1.518518519,1.333333333,1.444444444,1,0,0,0.028295987,-0.005572289,-0.004579185,-0.011415774,0.006231682,-0.00836461,0.009552182,0,0,508.4772378,-59.32234441,-92.01016684,-236.0787175,78.69290585,-141.6472305,196.1269346,0,0,945.5351364,-110.3124326,-171.0968342,-438.9984562,146.3328187,-263.3990737,364.7064098,0,0,0.0996072,-0.01162084,-0.01802416,-0.0462462,0.0154154,-0.02774772,0.03841992,0,0,4.226981996,-0.4931479,-0.764882456,-1.962527355,0.654175785,-1.177516413,1.630407341,0,0,22.96103329,-2.678787217,-4.154853643,-10.66047974,3.553493247,-6.396287845,8.856398555,0,0,2.672222222,-1.280277778,0.456666667,-1.320833333,1.295833333,-1.3325,0.845,0,0,0.001414799,-2.93E-04,-1.27E-04,-2.54E-04,1.38E-04,-3.10E-04,5.31E-04,0,0,25.42386189,-3.122228653,-2.555837968,-5.246193723,1.748731241,-5.246193723,10.89594081,0,0,47.27675682,-5.805917504,-4.752689839,-9.755521249,3.251840416,-9.755521249,20.26146721,0,0,0.00498036,-6.12E-04,-5.01E-04,-0.001027693,3.43E-04,-0.001027693,0.00213444,0,0,0.2113491,-0.025955153,-0.021246735,-0.043611719,0.01453724,-0.043611719,0.090578186,0,0,1.148051665,-0.140988801,-0.115412601,-0.23689955,0.078966517,-0.23689955,0.492022142,0,0,0.133611111,-0.067383041,0.012685185,-0.029351852,0.028796296,-0.049351852,0.046944444,0,0,-0.207293275,-0.08990645,-0.179307308,0.097880896,-0.218971228,0.375089785,0,0,-0.122807018,-0.100529101,-0.206349206,0.068783069,-0.206349206,0.428571429,0,0,-0.122807018,-0.100529101,-0.206349206,0.068783069,-0.206349206,0.428571429,0,0,-0.122807018,-0.100529101,-0.206349206,0.068783069,-0.206349206,0.428571429,0,0,-0.122807018,-0.100529101,-0.206349206,0.068783069,-0.206349206,0.428571429,0,0,-0.122807018,-0.100529101,-0.206349206,0.068783069,-0.206349206,0.428571429,0,0,-0.504322136,0.094941095,-0.21968122,0.215523216,-0.369369369,0.351351351,0,0,1.749359878,1.154757971,1.194785797,0.68709533,1.129847428,1.91E-05,0,0,1.666666667,1.256613757,1.206349206,0.703703704,1.005291005,0,0,0,1.666666667,1.256613757,1.206349206,0.703703704,1.005291005,0,0,0,1.666666667,1.256613757,1.206349206,0.703703704,1.005291005,0,0,0,1.666666667,1.256613757,1.206349206,0.703703704,1.005291005,0,0,0,1.666666667,1.256613757,1.206349206,0.703703704,1.005291005,0,0,0,2.11018711,0.757103257,1.237699238,0.53984754,1.58004158,0,0,0,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,27.62178083,13.72524227,21.8568937,27.5075833,4.584597216,13.72524459,-0.171296296,0.063579364,0.010596561,-1.653279794,17.67646965,2.946078274,1.723340614,0,11.89,12.11007471,-0.16472489,0.055946927,5.126994186,7.334600783,5,19,19,19,5,0,0,0,0,0,15.304898,3.473871363,2.995201137,2.333552793,2.214028496,1.445561172,0.972879173,0.083923071,0.083923071,1.901370199,1.610278754,1.249629723,1.12150557,0.669641221,0.379130244,0.083923071,0.083923071,3.502794884,3.038827881,2.405454588,2.283862734,1.54799348,1.097514108,0.270913902,0.270913902,1.839153023,1.525402757,1.134540686,1.006098022,0.525229691,0.220540086,0.270913902,0.270913902,3.629932889,3.227855553,2.704236987,2.577311006,1.962425044,1.586624852,0.943918427,0.943918427,1.655283249,1.264875661,0.76031856,0.632864871,0.038010704,0.326477276,0.943918427,0.943918427,3.524104373,3.070848611,2.457539916,2.334662184,1.621603013,1.186107579,0.399277246,0.399277246,1.799449735,1.470373296,1.058262671,0.929737572,0.428200161,0.113178768,0.399277246,0.399277246,3.691746928,3.317676688,2.838982085,2.710985541,2.142855573,1.79305263,1.207644823,1.207644823,1.597738071,1.180490847,0.631337262,0.50529439,0.136884521,0.528545542,1.207644823,1.207644823,3.511109125,3.147375139,2.627181624,2.422748981,1.697709915,1.269682936,0.580645161,0.580645161,1.799116918,1.379057509,0.88524614,0.813837494,0.317232616,0.002553925,0.580645161,0.580645161,0,0,0,0,0,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.288675135,0,0.288675135,0.288675135,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,9.792794627,19.21485798,18.07843137,18.32,11.58988144,154.455091,0.489639731,0.960742899,0.903921569,0.916,0.579494072,7.722754551,2.4425,29.746,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,6.729166667,0,2.706018519,0,0,0,0.898148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.222222222,0,1.331018519,0,0,0,0.898148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.253472222,0,1.375,0,0,0,0.898148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.33333333,1.722222222,0.2,2.253472222,0.2,0.898148148,4.593013889,0.435185185,0.253472222,1.458333333,0.435185185,0.253472222,1.458333333,3,0.5,0,0,0.42,0.7,0.42,0.42,0.7,0,0,0,0,0.71429,0,0,0.5,0.16667,0,2.5,0.41667,2.5,0.41667,0,0,-2.5,-0.41667,0,0,5.69868,0.94978,5.69868,0,0,2.77005,0.46167,2.77005,0,0,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,1,0.881290899,1.319035274,2.395461844,2.90869497,2.63034294,2.028212946,17.62581798,26.38070549,47.90923688,58.17389939,52.6068588,40.56425892,0.203911514,0.305196025,0.554257681,0.673008645,0.608604049,0.469284287,3.440637196,3.002892821,1.926466251,1.413233125,1.691585155,2.293715149,0.207463733,0.310512661,0.56391307,0.684732722,0.619206173,0.477459406,6.616095946,11.86902845,15.56720586,14.98523755,13.42855542,8.070974753,23.80204551,17.71551634,15.91187884,16.46882451,14.18890078,10.52154675,6,3.2,5.333333333,6,0,5,2.12,0.954,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,2.54,5,3,2,0,0,0,0,0,0,21,1.791759469,1.791759469,1.386294361,1.098612289,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,112.3323665,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,86.10955045,4.305477522,10.67917749,1.779862916,0,0,0,32,3,3.693,20,1.220894737,2.103173734,2.866227449,3.481606509,4.458488244,5.352201744,0,0,0,0,67.74862772,64.92246437,53.73170424,46.30289634,29.20798765,5.438179512,0,0,0,0,263.8372191,301.2768942,310.6084069,288.867083,324.7167879,166.3664711,0,0,0,0,8.859366903,14.89288075,20.06662049,24.03635565,30.84235415,35.95857474,0,0,0,0,2.030985313,2.547295132,2.859045839,2.828771283,3.470694886,2.379657965,0,0,0,0,176.3944505,330.6965185,467.2285651,593.9267762,753.7080676,989.7165796,0,0,0,0,2.492653509,3.434273209,4.446910857,4.851021523,6.683519787,5.352201744,0,0,0,0,0.422269342,0.539354181,0.61427093,0.615416415,0.762713537,0.548065459,0,0,0,0,357.6913985,122.5615197,8.611633058,141.5189316,-48.49089298,-8.604111353,216.1724669,171.0524127,17.21574441,0.716514417,0.245510784,0.017250511,0.283485583,-0.097135195,-0.017235443,178.5632411,61.18397672,4.299016181,70.64771253,-24.20715469,-4.295261268,0.08576595,0.190164208,1.485600379,12.37944435,499.21033,0,1,0,310.4078457,17.6183951,6.770866172,446.0263509,21.11933595,7.640471717,476.928456,21.83869172,7.812998576,1.463026135,1.205835205,323.3377633,278.6229185,74.98855203,1.160485164,4.311828333,3.715539385,3.714259789,3.220218461,6.42424645,0.994972244,3.904607748,4.742676419,2.30750979,14.59537325,5.371323117,3.184223797,4.445472319,8.803563869,2.930492366,5.567213732,0.884220332,1.126710553,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,4.742376741,0.1403447,5.318846764,0.537063159,0.090119943,0.321566196,0.420332872,0.999042645,0.076317739,0.006228704,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,4.742397317,0.488176359,6.485060806,0.870514822,0.407570523,0.873592172,1.52653453,1.210010517,0.50393807,0.064899514,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,4.742643712,2.141394874,13.77016824,4.844248848,2.883679025,4.090505371,8.076321457,2.74741123,4.985837849,0.787825132,1.003878818,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,4.742423496,0.755020674,7.501587376,1.293404312,0.718759713,1.338573823,2.465542683,1.409253625,1.003308067,0.140967789,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,4.742813825,2.960530141,17.94288387,7.585266227,4.423180983,5.876141169,11.73922679,3.681979415,7.998223977,1.289548769,1.643201451,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.382118359,4.023965691,1.05304845,9.292171182,2.165270721,1.36795853,2.00598993,3.755213295,2.153185928,2.03970989,0.298118512,0.379869115,2.71E-15,3.72E-51,9.85E-109,5.04E-188,4.96E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.784053,1.195212013,0.567671482,0.682187907,0.215472453,0.538948546,0.48479583,0.436924265,5.546936495,7.349332354,15.46370255,0.523281861,1.460668642,3.059953094,0.695064126,0.176669504,0.778279988,0.176785226,0.3523128,0.163802889,0.042274796,3.931686723,2.790260649,7.097699312,0.667419981,0.558390485,3.361802645,0.903567819,0.339682601,0.730024735,0.196212249,0.425303854,0.276926578,0.156365311,4.605053064,4.486488816,10.12336742,0.595037103,0.858595742,3.767499191,1.183779004,0.558734364,0.6837551,0.214841435,0.534239732,0.475556057,0.423268722,5.510012559,7.226335713,15.22824009,0.525632651,1.433064511,3.490086016,0.992175046,0.408952949,0.713541875,0.202848422,0.458406686,0.333956694,0.22668288,4.891214011,5.295810132,11.6031367,0.570312812,1.01904626,3.83546565,1.230720263,0.595427855,0.677450954,0.217379764,0.553705058,0.514060201,0.48071748,5.661613768,7.736933505,16.20919616,0.516176431,1.548482739,3.779791872,1.187105812,0.559071711,0.684005213,0.214823088,0.537745022,0.47831075,0.423714629,5.525969396,7.263864888,15.29839626,0.526007819,1.4397704 +UMLS0047,L,2-Methylpentane,CCCC(C)C,7892,,"Sandia, UML",[1],C6H14,PubChem,,-0.1,0,-0.4558,0.20775364,24.1299,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,890.291353,994.748085,716.772887,477.731566,127.119888,9.144576,0,0,2644.81273,3144.163273,3730.992294,3247.508299,2181.171529,1120.963057,279.7536999,0,0,118.238936,111.372268,196.083876,225.06698,174.07936,111.43008,60.466176,0,0,19.03383305,23.6303831,30.19190358,27.3996407,19.44148531,10.95324725,4.001516144,0,0,2668.599586,2191.74623,4310.126609,5019.500517,4094.498444,2583.794029,1664.258868,0,0,74.27777778,40.75,63.83333333,82.16666667,57.5,39,9,0,0,61.71557788,59.35275687,36.84252167,23.89242957,19.90548192,8.4746592,1.016064,0,0,165.3007956,209.6108849,138.1848998,108.2502766,90.88214705,74.73087045,31.08374443,0,0,7.3899335,7.424817867,7.262365778,7.502232667,7.253306667,7.428672,6.718464,0,0,1.189614566,1.575358873,1.118218651,0.913321357,0.810061888,0.730216483,0.444612905,0,0,166.7874742,146.1164153,159.6343189,167.3166839,170.6041018,172.2529352,184.917652,0,0,4.642361111,2.716666667,2.364197531,2.738888889,2.395833333,2.6,1,0,0,0.121454569,-0.043193133,0.010656547,-0.031482461,0.019033133,-0.022148813,0.006407442,0,0,523.7576238,-43.92541314,19.66342755,-230.5705662,19.12723312,-198.4686508,172.2951575,0,0,766.4429154,-94.95499335,-135.8422519,-212.6341937,13.9033117,-202.6791246,248.9857942,0,0,1.03666,-0.00156025,0.12109675,-0.4250675,-0.05685,-0.27394125,0.11799225,0,0,3.391946473,-0.464107523,-1.103534916,-0.493834691,-0.053678424,-0.513699117,0.932881435,0,0,18.82152525,-2.587911668,-6.817934048,-2.057802336,-0.526885346,-2.209029454,4.788800225,0,0,33.10416667,-0.858072917,4.178385417,-13.8828125,-0.25,-9.024739583,3.28515625,0,0,0.007590911,-0.002879542,3.95E-04,-0.001049415,7.93E-04,-0.001476588,7.12E-04,0,0,32.73485148,-2.928360876,0.728275094,-7.685685539,0.796968047,-13.23124338,19.14390639,0,0,47.90268221,-6.33033289,-5.031194516,-7.087806457,0.579304654,-13.51194164,27.66508825,0,0,0.06479125,-1.04E-04,0.004485065,-0.014168917,-0.00236875,-0.01826275,0.01311025,0,0,0.211996655,-0.030940502,-0.040871664,-0.016461156,-0.002236601,-0.034246608,0.103653493,0,0,1.176345328,-0.172527445,-0.252516076,-0.068593411,-0.021953556,-0.14726863,0.532088914,0,0,2.069010417,-0.057204861,0.154755015,-0.462760417,-0.010416667,-0.601649306,0.365017361,0,0,-0.379340816,0.051994674,-0.138246309,0.104473267,-0.194520475,0.093788227,0,0,-0.089456978,0.022247698,-0.234786021,0.024346164,-0.404194392,0.584817267,0,0,-0.132149863,-0.105029495,-0.147962622,0.012093366,-0.282070669,0.577526914,0,0,-0.001605412,0.06922331,-0.218685651,-0.036559721,-0.281870623,0.202345996,0,0,-0.145948065,-0.192793908,-0.077648189,-0.010550171,-0.161543152,0.488939285,0,0,-0.146663943,-0.21466152,-0.058310608,-0.01866251,-0.125191665,0.452323736,0,0,-0.027648416,0.074796634,-0.223662681,-0.005034613,-0.290790854,0.176421229,0,0,1.076669604,0.71134427,1.441396391,0.843171933,1.408745647,0.003828651,0,0,1.170927332,0.915782169,1.237378961,0.855531925,1.337055762,0,0,0,1.491123972,1.167254118,1.028522109,0.816418639,1.044504574,0,0,0,0.512040592,0.530805128,1.627408215,0.985701677,1.700571065,0,0,0,1.594610489,1.277272841,0.952397111,0.814556278,0.898214131,0,0,0,1.599979575,1.293653979,0.94524565,0.818462086,0.871412624,0,0,0,0.541220894,0.518145584,1.63876652,0.954216488,1.721837634,0,0,0,19.84869454,10.04934727,16.04478306,20.0153612,3.335893534,10.04946897,0.25,0.145135574,0.024189262,-1.15805219,27.35389766,4.558982943,1.985315417,19.85036888,10.04981723,16.04540607,20.01654593,3.336090989,10.04993885,0.249265579,0.145112873,0.024185479,-1.158146043,27.3472863,4.557881049,1.985170382,21.33863364,10.46981958,16.63031234,21.07263732,3.51210622,10.4698898,-0.398994478,0.12232631,0.020387718,-1.260637878,23.03690567,3.839484278,1.882258514,19.85212614,10.05031047,16.04606002,20.01778934,3.336298224,10.050432,0.2484948,0.145089042,0.024181507,-1.158244585,27.34035322,4.556725537,1.98501825,22.92527446,10.9214901,17.34527551,22.20374495,3.700624158,10.92153228,-1.082294264,0.090382996,0.015063833,-1.442219477,20.70991669,3.451652782,1.818367592,20.02409351,10.09861385,16.1104278,20.1395163,3.35658605,10.09872726,0.173134186,0.142726626,0.023787771,-1.168094512,26.68900312,4.448167187,1.970550968,22.01238989,11.08688214,18.18853627,22.2350354,3.705839233,11.08693252,0.667936508,0.189107237,0.031517873,-0.99926462,46.65332405,7.775554009,2.305646508,0,11.89,15.99491589,-0.299494891,0.191074243,3.958059471,6.545506816,5,15,14,14,4,1,1,0,0,1,11.89007,3.513617914,2.995054802,2.243611616,1.952483458,1.332142786,0.083923071,0.083923071,0.083923071,1.827144974,1.522159866,1.138252891,0.677479591,0.204151997,0.083923071,0.083923071,0.083923071,3.472090895,2.98933329,2.30767854,1.820712504,1.385331191,0.270913902,0.270913902,0.270913902,1.790675693,1.463585996,1.027058745,0.579702946,0.315668329,0.270913902,0.270913902,0.270913902,3.621651732,3.196376987,2.604042724,2.222194235,1.848806117,0.943918427,0.943918427,0.943918427,1.596730793,1.19210608,0.65466726,0.128065661,0.184834489,0.943918427,0.943918427,0.943918427,3.474545379,3.005356509,2.35732026,1.812352255,1.426573966,0.399277246,0.399277246,0.399277246,1.771859608,1.425885195,0.953681105,0.549214971,0.298158986,0.399277246,0.399277246,0.399277246,3.659745852,3.268622823,2.735145633,2.29559102,2.001683896,1.207644823,1.207644823,1.207644823,1.553950198,1.120679461,0.528591107,0.027361458,0.309758365,1.207644823,1.207644823,1.207644823,4.768705223,3.280342642,2.816953504,2.424657776,1.650623634,0.576923077,0.576923077,0.576923077,1.675474914,1.218219242,0.828853611,0.313741666,0.4411605,0.576923077,0.576923077,0.576923077,0,0,0,1,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.144337567,0,0,0,0.288675135,0.288675135,0,0.102062073,0.102062073,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.322461853,2.264784317,1.452015103,0.602062073,0.352062073,0,0,0,0.720410309,0.452956863,0.290403021,0.200687358,0.176031036,0,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,1.3755,25.589,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,2,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.972916667,0.802777778,0,0,0,0,0,0,0,0,0,0,3.615972222,0,1.717592593,0,0,0,0,0,0,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.265625,0.401388889,0,0,0,0,0,0,0,0,0,0,1.614583333,0,0.736111111,0,0,0,0,0,0,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.001388889,0,0.981481481,0,0,0,0,0,0,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.66666667,2.611111111,0.594097222,10.04375,0.265625,0.289351852,2.349181019,1.377314815,3.04375,6.090277778,1.377314815,3.04375,6.090277778,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.42,0.49792,0.82778,0.07792,0,-0.07792,0,0.57047,0.14382,0,0.47059,0.17647,0,4.25,0.70833,2.75,0.45833,1.5,0.25,-1.25,-0.20833,0,0,4.00539,0.66756,5.69868,1.6933,0.28222,2.02767,0.33795,2.77005,0.74238,0.12373,0.14395,0.02399,0.14395,0.02399,0,5.01,1,1,1,1,0,0,0.8,1.198192411,1.923794941,3.155639062,3.155639062,2.905639062,1.905639062,19.17107858,30.78071905,50.490225,50.490225,46.490225,30.490225,0.299548103,0.480948735,0.788909766,0.788909766,0.726409766,0.476409766,2.801807589,2.076205059,0.844360938,0.844360938,1.094360938,2.094360938,0.299548103,0.480948735,0.788909766,0.788909766,0.726409766,0.476409766,10.71860945,19.4258398,20.66732315,20.66732315,17.66732315,9.789388759,21.96987352,13.73794941,13.71691719,13.71691719,12.21691719,9.966917187,6,3.2,5.333333333,6,1,5,1.9,0.8288,0.25,2.149139864,1.154700538,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,2.889,5,3,2,0,0,0,0,0,0,21,1.945910149,2.079441542,1.609437912,1.386294361,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,17.07,101.1901498,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,86.07316494,5.379572809,10.67917749,1.779862916,2.347570326,2.347570326,0,32,3,1.007,20,1.2268,2.113364829,2.896846543,3.596214336,4.937497236,5.820562243,0,0,0,0,82.78024119,88.02694618,76.67620692,85.98988054,43.21387058,5.914063755,0,0,0,0,280.7281514,316.1513677,335.6752916,370.9628544,383.0039444,180.9248692,0,0,0,0,9.137724337,15.4572796,21.78617485,26.07020108,36.59923608,39.10523789,0,0,0,0,2.061570699,2.496831577,2.779517058,3.213775422,3.736094519,2.587897087,0,0,0,0,177.2249115,333.5272639,481.6109711,602.3507378,844.0222224,1076.324703,0,0,0,0,3.395038889,5.309415515,8.049055351,8.752170784,12.6899337,5.820562243,0,0,0,0,0.444136,0.564662815,0.65641917,0.747552038,0.900452847,0.596025574,0,0,0,0,332.9460549,139.6485682,11.64907859,183.6545531,-77.03078325,-20.29632305,149.2915018,216.6793515,31.94540164,0.644494121,0.270322114,0.022549487,0.355505879,-0.149110903,-0.039288229,172.0001344,72.14253524,6.017921083,94.87605379,-39.79414946,-10.48509283,0.308901391,0.714009424,7.800769341,30.39959571,474.0247053,42.57590266,0.91758449,0.08241551,382.2140291,19.55029486,7.257196369,479.08439,21.88799648,7.824753652,582.7530733,24.14027906,8.352725147,1.656069001,1.452219181,315.9669092,269.5052394,59.86183295,1.172396165,5.278269869,4.502121403,3.544697262,3.285516602,6.459304838,0.965993669,2.80222057,3.881220796,1.659208075,9.116828954,3.023478043,0.137325654,1.998056806,7.579451155,2.085600173,1.105747281,0.045295356,1.694936254,4.02E-13,1.84E-47,1.62E-103,2.77E-181,9.08E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,0.251664719,3.88108081,0.108734846,3.337172573,0.110200318,0.002843412,0.358811407,0.358102133,0.886687385,0.013053462,3.67E-04,0.011937575,2.83E-15,1.30E-49,1.14E-105,1.95E-183,6.40E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765026468,3.88097264,0.371109428,3.589299283,0.342752115,0.014492837,0.66344821,1.23111329,1.121989236,0.09468392,0.00344879,0.124398732,2.95E-14,1.35E-48,1.19E-104,2.03E-182,6.67E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650178473,3.881263869,1.545147685,9.009618661,2.966716283,0.124042604,1.912250385,7.17548485,2.00890587,0.988826592,0.040390678,1.510157688,3.58E-13,1.64E-47,1.45E-103,2.46E-181,8.09E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,1.11993283,3.88094414,0.567287792,3.973984989,0.546604501,0.027044658,0.882765729,1.945293964,1.286305134,0.192708715,0.007372114,0.270210668,6.41E-14,2.93E-48,2.59E-104,4.41E-182,1.45E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,3.384110175,3.881356617,2.103259019,11.74455305,4.367864151,0.194991506,2.388236595,10.30949408,2.373489365,1.595453589,0.065901129,2.471905234,5.86E-13,2.68E-47,2.37E-103,4.03E-181,1.32E-280,0,0,0,0,0,0,0,0,0,0,0,0,0,1.722243656,3.584119896,0.817405473,8.375145509,2.503703049,0.052386787,1.387716089,4.538667569,1.886527065,0.390833769,0.015285688,0.564142984,1.34E-13,6.13E-48,5.41E-104,9.21E-182,3.02E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,4.298308944,0.76307367,0.415503769,0.784808857,0.139326182,0.571478487,0.435097948,0.499980711,5.476886383,5.382949933,12.22265809,0.677213286,1.506557147,3.146876468,0.705610871,0.077800227,0.800673339,0.179531614,0.318767766,0.338503802,0.017529319,3.930287567,2.520194637,6.623235294,0.701010008,0.674800888,3.661752897,0.616844975,0.21380166,0.815099563,0.137308574,0.415474893,0.28634611,0.13238094,4.492399532,3.173505204,8.148825789,0.722649345,0.834201944,4.210494886,0.806288475,0.397925649,0.777603169,0.148907074,0.548365433,0.488232146,0.458571628,5.414709011,5.391180277,12.15679653,0.666404754,1.495169208,3.912083873,0.59247624,0.280208577,0.817611911,0.123825472,0.473344335,0.263103145,0.227387279,4.78476869,3.580033123,9.014273944,0.726417867,0.963834759,4.362984672,0.797203455,0.439055472,0.779209655,0.142376991,0.588812263,0.474806345,0.558267188,5.599243599,5.743795286,12.87015568,0.668814482,1.621885796,4.217789496,0.812485802,0.397230173,0.777113817,0.149697832,0.550297913,0.495979347,0.456970088,5.427505471,5.425071209,12.21384241,0.665670726,1.503247348 +UMLS0048,L,2-pentanone,CCCC(=O)C,7895,MON from [11],"Sandia, UML","[9], [11]",C5H10O,PubChem,,2.43,0,1.2082,1.45974724,33.401,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1289.413615,1004.9545,814.460644,302.76288,36.578304,0,0,3461.958223,4376.887272,5892.91255,6092.452474,4866.454479,3126.683726,1119.0148,0,0,160.279036,159.125208,296.711548,379.656976,432.938128,251.444736,241.864704,0,0,26.63610648,34.55010896,49.80024258,56.12991302,48.09066387,32.0604183,16.00606457,0,0,3846.242925,3210.7269,6660.186019,8672.026479,10908.59722,5893.952969,6657.035473,0,0,37.80555556,44.33333333,67.11111111,87.33333333,83,60,36,0,0,44.61329874,48.14991518,30.70032417,18.61026852,12.92794673,8.41008,1.016064,0,0,150.5199227,198.9494215,140.3074417,112.823194,77.2453092,86.85232572,31.08374443,0,0,6.968653739,7.232964,7.064560667,7.030684741,6.872033778,6.984576,6.718464,0,0,1.158091586,1.570459498,1.185720062,1.039442834,0.763343871,0.890567175,0.444612905,0,0,167.2279533,145.9421318,158.5758576,160.5930829,173.1523369,163.7209158,184.917652,0,0,1.643719807,2.015151515,1.597883598,1.617283951,1.317460317,1.666666667,1,0,0,0.031809221,-0.006716478,0.001197502,-0.024035702,0.020938684,-0.026591974,0.019303359,0,0,589.5388264,-58.58770946,-8.010038403,-457.7164802,306.4411835,-480.6023042,403.7059355,0,0,1096.272622,-108.9463475,-14.89500845,-851.14334,569.8404662,-893.700507,750.7084259,0,0,0.115486609,-0.01147693,-0.001569112,-0.089663516,0.060029724,-0.094146692,0.079083221,0,0,4.900848691,-0.487040864,-0.066587618,-3.805006748,2.547452018,-3.995257085,3.356015952,0,0,26.62148787,-2.645613702,-0.361704998,-20.66885705,13.83779979,-21.7022999,18.22993191,0,0,3.311594203,-1.865679479,1.513127494,-3.130119723,3.584908633,-3.574669187,1.816635161,0,0,0.00138301,-3.05E-04,2.85E-05,-4.45E-04,3.32E-04,-7.39E-04,5.36E-04,0,0,25.63212289,-2.663077703,-0.1907152,-8.476231114,4.864145769,-13.350064,11.21405376,0,0,47.66402704,-4.952106706,-0.354643058,-15.7619137,9.045086764,-24.82501408,20.85301183,0,0,0.005021157,-5.22E-04,-3.74E-05,-0.001660435,9.53E-04,-0.002615186,0.002196756,0,0,0.213080378,-0.022138221,-0.001585419,-0.070463088,0.040435746,-0.110979363,0.093222665,0,0,1.157455995,-0.120255168,-0.008612024,-0.382756612,0.219647616,-0.602841664,0.506386998,0,0,0.143982357,-0.084803613,0.036026845,-0.05796518,0.056903312,-0.099296366,0.050462088,0,0,-0.220746452,0.020615871,-0.321838399,0.240316525,-0.534100375,0.387708371,0,0,-0.103896104,-0.007440476,-0.330687831,0.189767574,-0.520833333,0.4375,0,0,-0.103896104,-0.007440476,-0.330687831,0.189767574,-0.520833333,0.4375,0,0,-0.103896104,-0.007440476,-0.330687831,0.189767574,-0.520833333,0.4375,0,0,-0.103896104,-0.007440476,-0.330687831,0.189767574,-0.520833333,0.4375,0,0,-0.103896104,-0.007440476,-0.330687831,0.189767574,-0.520833333,0.4375,0,0,-0.588986142,0.250217082,-0.402585299,0.395210309,-0.689642597,0.350474106,0,0,1.758171921,1.032756391,1.446890374,0.503049927,1.697783992,0,0,0,1.642857143,1.183248299,1.42228836,0.573696145,1.505952381,0,0,0,1.642857143,1.183248299,1.42228836,0.573696145,1.505952381,0,0,0,1.642857143,1.183248299,1.42228836,0.573696145,1.505952381,0,0,0,1.642857143,1.183248299,1.42228836,0.573696145,1.505952381,0,0,0,1.642857143,1.183248299,1.42228836,0.573696145,1.505952381,0,0,0,2.197665937,0.575579174,1.537806954,0.281198986,2.214442013,0,0,0,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,37.48986374,18.62390012,29.28763257,37.31696124,5.330994463,18.62390014,-0.242063492,1.67E-16,2.38E-17,-25.43193482,2000010.202,285715.7432,10.15606399,0,11.89,12.11009426,-0.164615304,0.056093615,5.749051432,7.648782394,6,22,22,22,6,0,0,0,0,0,17.491312,3.526648257,3.112599877,2.333552793,2.333552793,2.181727047,1.162837791,0.902587011,0.083923071,1.926688276,1.667247237,1.249629723,1.249629723,1.084438741,0.440344289,0.348066086,0.083923071,3.553367324,3.150713835,2.405454588,2.405454588,2.250821456,1.269690916,1.031979376,0.270913902,1.867720858,1.58857667,1.134540686,1.134540686,0.969245257,0.290000277,0.186460336,0.270913902,3.67134812,3.318028628,2.704236987,2.704236987,2.542033557,1.702702127,1.537209272,0.943918427,1.694987868,1.351217995,0.76031856,0.76031856,0.597291919,0.218324093,0.373444117,0.943918427,3.573079272,3.178805544,2.457539916,2.457539916,2.301138919,1.346550641,1.123795185,0.399277246,1.83022888,1.537907807,1.058262671,1.058262671,0.893065587,0.188893887,0.076887173,0.399277246,3.729063388,3.398793114,2.838982085,2.838982085,2.67505104,1.891182114,1.749263129,1.207644823,1.641383456,1.275766962,0.631337262,0.631337262,0.470453387,0.40108138,0.581393754,1.207644823,3.544875463,3.234857964,2.61879123,2.61879123,2.361003522,1.396934638,1.208461479,0.575342466,1.845944923,1.466086296,0.892763832,0.892763832,0.800329812,0.097213156,0.038783586,0.575342466,0,0,0,0,0,4,1,2,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.816496581,0,0,0,0.471404521,0.942809042,0.23570226,0.471404521,0.942809042,0.23570226,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.6885,34.293,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,38,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,4,0,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,9.055555556,0,1.361111111,0,0,0,1.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.263888889,0,1.361111111,0,0,0,0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.263888889,0,1.361111111,0,0,0,0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.16666667,1.738095238,0.2,2.263888889,0.2,0.875,5.311805556,0.458333333,0.263888889,2.111111111,0.458333333,0.263888889,2.111111111,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.57143,0.28571,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.47656,1.06808,7.47656,0,0,3.12588,0.44655,3.12588,0,0,0.28812,0.04116,0.28812,0.04116,0,6,0,0,0,0,0,0,1,0.886540893,1.306170652,2.044451086,2.044451086,1.847774479,1.234981096,20.39044053,30.04192499,47.02237498,47.02237498,42.49881302,28.4045652,0.195982923,0.288748262,0.451956026,0.451956026,0.408477765,0.273010762,3.637021063,3.217391304,2.47911087,2.47911087,2.675787477,3.28858086,0.19880132,0.292900702,0.45845553,0.45845553,0.414352016,0.276936884,6.634953582,11.67051069,12.41456819,12.41456819,10.05444891,6.068894352,27.76507516,21.21742031,22.49198364,22.49198364,21.311924,17.02237031,7,3.06122449,6,7,0,5,2.23,1.0949,1.889881575,2,4.618802154,0,0,2,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,2.811,7,4,4,0,0,0,0,0,0,28,1.945910149,2.079441542,1.609437912,1.609437912,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,2.5,0.444444444,0.5,0,0,0,0,0,0,0,0.416666667,0.063492063,0.125,0,0,0,0,0,0,0,0.60515873,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,0,129.6283511,3.807354922,3.295836866,3.891820298,4.65396035,5.262690189,6.033086222,6.64509097,7.417580402,8.030409562,8.803424212,67.03389907,2.564949357,0,3.713572067,0,4.976733742,0,6.300785795,0,7.655864018,7.958576904,100.1252005,4.353269587,12.50916243,1.787023205,0,0,0,48,4,4.201,26,1.224818182,2.110657079,2.894964612,3.459229516,4.302684992,4.961617097,0,0,0,0,69.72220731,74.05869283,59.19211135,52.69936513,38.59170013,5.041320514,0,0,0,0,268.787596,322.8305105,342.2742041,291.6801335,391.8435021,154.2256378,0,0,0,0,8.893455721,14.97231911,20.39096586,23.83418797,30.13901462,33.33444585,0,0,0,0,2.059771149,2.666275448,3.106136598,2.795064771,3.976929202,2.20599899,0,0,0,0,176.6115071,330.2656746,462.1949756,594.3973487,697.5427907,917.4905839,0,0,0,0,2.51619697,3.51717407,4.759650394,4.723785449,7.388053557,4.961617097,0,0,0,0,0.427911136,0.562382111,0.66508454,0.606794077,0.865141658,0.508069591,0,0,0,0,372.2477062,145.3219568,8.886691416,126.2977843,-49.3054513,-7.265832583,245.949922,194.6274081,16.152524,0.746667482,0.291491869,0.017825237,0.253332518,-0.098898601,-0.014574061,185.5824153,72.44960624,4.430419931,62.9651908,-24.5810104,-3.622348069,0.075294283,0.160214534,0.926109052,9.165087944,498.5454905,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,621.903098,24.93798504,8.53573467,1.404310375,1.404310375,364.3162779,345.2860334,119.0552266,1.055114434,3.060061184,2.900217346,3.933228778,3.22022378,6.424248771,0.99496967,4.462408855,5.691203506,2.797575608,18.20912219,5.988481935,11.66874289,6.912930956,12.27598257,4.238511116,6.905147207,1.605945921,1.126710556,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690852012,0.161793675,7.555440401,1.037894845,1.451060902,0.365282501,0.592520706,1.057460219,0.085778441,0.011311877,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.69087613,0.570383221,9.236120945,1.385042008,2.796094472,1.12223083,2.120727855,1.432429087,0.602231232,0.117870089,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691165138,2.590426972,17.38216366,5.450731076,10.78121932,6.307057247,11.25767979,3.946713009,6.177938327,1.430869639,1.00387882,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690906828,0.889297504,10.5365233,1.82031689,3.939321228,1.813937363,3.424147263,1.77129408,1.216721603,0.256026956,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691364698,3.61654255,21.46939034,8.245992229,15.25232951,9.389006307,16.39038951,5.429108477,9.949351807,2.342117712,1.643201455,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.738867285,4.604911638,1.19467072,12.63472009,2.562279929,6.564074637,2.716960672,5.292805327,2.758877206,2.445667946,0.531603137,0.372962548,2.66E-15,3.65E-51,9.67E-109,4.94E-188,4.87E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.656836928,1.197544226,0.973051922,0.627521051,0.205501155,0.559765397,0.460760999,0.513176981,5.827433076,9.102788859,19.19143421,0.441281576,1.533703376,2.948910444,0.689539164,0.49941062,0.712665552,0.166641483,0.363378354,0.152760287,0.135108822,4.137860228,3.850469617,9.003826027,0.568998328,0.651247463,3.242065491,0.899954401,0.69565988,0.670169512,0.186030172,0.439538892,0.260215762,0.26227935,4.837679771,5.799148164,12.66656249,0.505254268,0.962034003,3.640472539,1.185805491,0.962113216,0.628926481,0.20485925,0.554744762,0.4517722,0.5017084,5.788391246,8.960318203,18.90204861,0.443389722,1.508225362,3.367495969,0.989961812,0.779577431,0.655532974,0.192710731,0.474353962,0.314868687,0.329401207,5.137035212,6.730668153,14.46657473,0.483299461,1.118623856,3.707715601,1.234040061,1.007058827,0.623269663,0.207443023,0.57552068,0.489272838,0.549655412,5.948814489,9.552108247,20.10868977,0.434904494,1.61444893,3.651244979,1.188645525,0.964571619,0.629041055,0.204781339,0.558076426,0.453938803,0.504266288,5.804462123,9.008457023,18.9991947,0.443561583,1.516281517 +UMLS0049,L,"2,4-Dimethylpentane",CC(C)CC(C)C,7907,,"Sandia, UML",[1],C7H16,PubChem,,-0.7,0,0.3538,0.12517444,29.5874,19.363516,0,0,19,7,12,0,6,0,1,0,0,0,0,0,0,0,1133.745495,1058.76965,1309.522631,980.07576,837.48782,245.0952,18.289152,0,0,3130.497121,3797.153407,4869.666819,4756.223876,3521.133702,1962.172413,559.5073998,0,0,139.21638,133.148048,238.8371,290.346888,297.194816,162.393984,120.932352,0,0,22.71195886,28.64637172,38.88601801,40.43475799,31.93123952,17.90497835,8.003032287,0,0,3165.229247,2624.785681,5239.795721,6307.685046,7269.461727,3503.329189,3328.517736,0,0,79.80555556,47.16666667,74.22222222,100.8333333,86,69,18,0,0,59.67081553,58.82053611,39.68250397,25.13014769,19.94018619,11.6712,1.016064,0,0,164.7630063,210.9529671,147.5656612,121.9544584,83.83651671,93.43678159,31.08374443,0,0,7.327177895,7.397113778,7.237487879,7.444792,7.076067048,7.733046857,6.718464,0,0,1.195366256,1.591465096,1.178364182,1.036788666,0.760267608,0.852618017,0.444612905,0,0,166.591013,145.8214267,158.7816885,161.735514,173.0824221,166.8251995,184.917652,0,0,4.200292398,2.62037037,2.249158249,2.585470085,2.047619048,3.285714286,1,0,0,0.125470344,-0.043792832,0.013412093,-0.058230479,0.064354802,-0.051443097,0.012964341,0,0,605.7336044,-45.41908671,93.72540758,-506.8584002,393.1711269,-564.6998261,327.2139763,0,0,916.6964704,-95.75164029,10.66748546,-682.2312297,472.4295577,-653.740033,490.2776246,0,0,1.062550737,-0.002447645,0.133494404,-0.472055934,0.242835845,-0.629765551,0.196663512,0,0,4.063287563,-0.461433045,-0.420527699,-2.439619519,1.360197496,-1.958876983,1.888615969,0,0,22.47243353,-2.562605463,-3.059085009,-12.35129549,6.135287904,-9.184291683,9.785772976,0,0,34.00292398,-1.564173592,5.497845491,-16.56740536,10.24792244,-20.11288089,5.497229917,0,0,0.006603702,-0.002432935,4.06E-04,-0.001493089,0.001532257,-0.002449671,7.20E-04,0,0,31.88071602,-2.523282595,2.840163866,-12.99636924,9.361217307,-26.89046791,18.17855424,0,0,48.24718265,-5.319535572,0.323257135,-17.49310845,11.2483228,-31.13047776,27.23764581,0,0,0.055923723,-1.36E-04,0.004045285,-0.012103998,0.005781806,-0.029988836,0.010925751,0,0,0.21385724,-0.025635169,-0.012743264,-0.062554347,0.032385655,-0.093279856,0.104923109,0,0,1.18275966,-0.14236697,-0.092699546,-0.316699884,0.146078283,-0.437347223,0.543654054,0,0,1.789627578,-0.086898533,0.166601379,-0.424805266,0.243998153,-0.957756233,0.305401662,0,0,-0.368419868,0.061545334,-0.226098805,0.232030022,-0.370954229,0.109066271,0,0,-0.079147614,0.089087204,-0.407656128,0.293632593,-0.843471266,0.570205331,0,0,-0.11025588,0.006700021,-0.362572641,0.233139474,-0.645228924,0.564543758,0,0,-0.002431532,0.07233576,-0.216437634,0.103387356,-0.536245339,0.195368801,0,0,-0.119870476,-0.059587712,-0.292505162,0.151435858,-0.436178154,0.490622199,0,0,-0.12036847,-0.07837564,-0.267763515,0.123506312,-0.369768464,0.459648797,0,0,-0.048556769,0.093092764,-0.237370764,0.136340184,-0.535170694,0.170650959,0,0,1.096744496,0.696126185,1.45559027,0.535739388,2.330603395,0.004149381,0,0,1.212328523,0.88646729,1.448849684,0.519039504,1.98189853,0,0,0,1.492302918,1.092143786,1.360526189,0.561866633,1.497089647,0,0,0,0.521883785,0.520629855,1.517126323,0.607822807,2.844229627,0,0,0,1.578834284,1.181956255,1.305469784,0.611189036,1.285388827,0,0,0,1.583316226,1.196478905,1.292177878,0.627316015,1.251156866,0,0,0,0.575113939,0.49305029,1.543796345,0.567178114,2.873702443,0,0,0,25.96314285,13.10657143,20.3329338,26.14171428,3.734530612,13.10657758,0.25,0.068013005,0.009716144,-1.881639444,30.58368688,4.369098126,2.394326731,25.96489984,13.10708271,20.3336424,26.14294669,3.734706669,13.10708887,0.249265579,0.067988311,0.009712616,-1.881893637,30.58985987,4.369979981,2.394468004,27.529989,13.56549726,20.9960364,27.24499295,3.89214185,13.56550072,-0.398994478,0.043721061,0.006245866,-2.190947737,42.43781807,6.062545438,2.62362793,25.96674386,13.10761933,20.33438618,26.14424015,3.734891449,13.10762548,0.2484948,0.067962389,0.009708913,-1.882160577,30.59634635,4.370906621,2.394616421,29.20510565,14.06140569,21.78952822,28.43203832,4.06171976,14.06140769,-1.082294264,0.011852043,0.001693149,-3.104678512,44.57674377,6.368106254,2.658048598,26.14724822,13.1601912,20.40757667,26.27091549,3.752987928,13.16019692,0.173134186,0.065397108,0.009342444,-1.909094066,31.27221929,4.467459899,2.409911099,31.41061657,15.75768821,25.20461995,31.66597371,4.52371053,15.75768869,0.595833333,0.12474119,0.01782017,-1.457059919,21.30881147,3.044115924,2.14138447,0,11.89,15.99491614,-0.299487967,0.191284835,4.115246849,7.408132304,6,18,17,17,5,1,1,0,0,1,14.076484,3.558319352,3.12344078,2.333552793,2.229348518,1.89666642,1.013391022,0.083923071,0.083923071,1.874120128,1.556280499,1.249629723,1.109819166,0.41216828,0.201056763,0.083923071,0.083923071,3.533611473,3.093119753,2.405454588,2.288511769,1.729416719,1.115994053,0.270913902,0.270913902,1.833592029,1.512587495,1.134540686,1.002392129,0.406186076,0.207441325,0.270913902,0.270913902,3.667227493,3.284656791,2.704236987,2.585130525,2.145438227,1.598055479,0.943918427,0.943918427,1.655083163,1.260910823,0.76031856,0.631552381,0.036015662,0.337358679,0.943918427,0.943918427,3.540248905,3.09902604,2.457539916,2.336772788,1.693370082,1.192937891,0.399277246,0.399277246,1.811391263,1.485681914,1.058262671,0.931617153,0.443273648,0.113043226,0.399277246,0.399277246,3.707514721,3.34080596,2.838982085,2.713698371,2.190780519,1.795321321,1.207644823,1.207644823,1.612039294,1.203442543,0.631337262,0.507329386,0.089166256,0.525489439,1.207644823,1.207644823,4.737007632,3.397884332,2.812841976,2.612600818,2.360692296,1.298914343,0.571428571,0.571428571,1.759900725,1.268935406,0.898315104,0.820812075,0.046094333,0.431259103,0.571428571,0.571428571,0,0,0,1,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.552585858,0,0,0,0.471404521,0.942809042,0.23570226,0.287457479,0.454124145,0.083333333,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,5.192705341,2.620626365,2.299986098,0.695705769,0.574914957,0,0,0,0.741815049,0.436771061,0.328569443,0.173926442,0.143728739,0,0,0,9.965765927,18.6576839,17.70196078,17.96,11.27156647,146.3240515,0.524513996,0.981983363,0.931682147,0.945263158,0.59324034,7.701265868,1.6215,30.136,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,38,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,2,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.238541667,0.802777778,0,0,0,0,0,0,0,0,0,0,5.711111111,0,0.722222222,0,0,0,0.525462963,0,0,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.265625,0.401388889,0,0,0,0,0,0,0,0,0,0,1.625,0,0.722222222,0,0,0,0.525462963,0,0,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.043055556,0,0.722222222,0,0,0,0.525462963,0,0,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.5,2.5,0.544097222,10.25416667,0.265625,0.287037037,2.998160648,1.37962963,3.254166667,6.680555556,1.37962963,3.254166667,6.680555556,3.33333,0.47619,0,0.02381,0.48772,0.80952,0.42174,0.48772,0.80952,0.06598,0,-0.06598,0,0.58823,0.12606,0,0.55,0.3,0,4.75,0.67857,3.25,0.46429,1.5,0.21429,-1.75,-0.25,0,0,5.60639,0.80091,7.47656,1.87016,0.26717,2.3835,0.3405,3.12588,0.74238,0.10605,0.28812,0.04116,0.28812,0.04116,0,6.01,1,1,1,1,0,0,0.833333333,1.167436723,1.878477513,2.970840013,2.970840013,2.747264881,1.95822751,22.18129774,35.69107275,56.44596025,56.44596025,52.19803274,37.20632268,0.27482501,0.44221035,0.699362219,0.699362219,0.64673064,0.46098421,3.08049079,2.36945,1.2770875,1.2770875,1.500662633,2.289700004,0.27482501,0.44221035,0.699362219,0.699362219,0.64673064,0.46098421,10.29981851,18.83230798,19.93321825,19.93321825,17.25031667,11.53995111,25.71846446,16.28162645,16.57668442,16.57668442,15.23523362,11.86855782,7,3.06122449,6,7,1,5,2.01,0.9697,0.944940787,1.5,3.464101615,0,0,2,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.437,0.423,0.559,0.164,3.16,7,4,4,0,0,0,0,0,0,28,2.079441542,2.302585093,1.791759469,1.945910149,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,2.5,0.444444444,0.5,0,0,0,0,0,0,0,0.416666667,0.063492063,0.125,0,0,0,0,0,0,0,0.60515873,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,17.07,118.4861345,3.807354922,3.295836866,3.891820298,4.65396035,5.262690189,6.033086222,6.64509097,7.417580402,8.030409562,8.803424212,67.03389907,2.564949357,0,3.713572067,0,4.976733742,0,6.300785795,0,7.655864018,7.958576904,100.088815,5.267832369,12.50916243,1.787023205,2.353722019,2.353722019,0,48,4,1.515,26,1.230611111,2.12103616,2.929552435,3.507444006,4.615717238,5.388940886,0,0,0,0,82.68712511,95.45405843,78.80940754,77.95564844,52.9907806,5.475508833,0,0,0,0,283.9634567,340.8787932,373.4421494,322.2767485,439.4380452,167.5084613,0,0,0,0,9.132995542,15.455765,21.83800757,24.83366863,35.14336204,36.20540534,0,0,0,0,2.091655824,2.657436263,3.138460391,2.86015175,4.075136547,2.395992661,0,0,0,0,177.3517926,332.4642362,471.3368965,600.6746053,762.3096694,996.5102956,0,0,0,0,3.273416667,5.07003966,7.632776413,7.223760541,13.99792761,5.388940886,0,0,0,0,0.447387083,0.589369519,0.716756691,0.658597777,0.979669877,0.551827547,0,0,0,0,355.83439,167.2699736,11.24322526,140.0132906,-65.81718933,-14.85114539,215.8210994,233.0871629,26.09437066,0.717628425,0.337341446,0.022674756,0.282371575,-0.132736709,-0.029951023,176.4396569,82.94042842,5.574927169,69.42526537,-32.63530067,-7.363905996,0.276179363,0.637060715,4.577241911,19.95704248,464.5209294,31.32675112,0.936821826,0.063178174,444.2955983,21.07832058,7.630576257,560.5400313,23.67572663,8.245219299,743.2474783,27.26256551,9.058253729,1.466071549,1.466071549,367.0943366,306.9940536,100.7031294,1.195770186,3.645312104,3.048505596,3.756230434,3.285516602,6.459306918,0.965994302,3.360021677,4.829722797,2.101725945,12.87919841,3.042241378,2.214508117,3.802837146,7.969001903,3.498671088,2.673250347,1.003391444,1.694936254,4.02E-13,1.84E-47,1.62E-103,2.77E-181,9.08E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,0.298477101,4.829555905,0.129848944,5.551998594,0.329112994,0.090083741,0.372205781,0.447445512,0.97387853,0.024129653,0.007115375,0.011937575,2.83E-15,1.30E-49,1.14E-105,1.95E-183,6.40E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0.916142542,4.829449611,0.449826549,6.183564631,0.554572165,0.353472511,0.794755283,1.469626846,1.424141986,0.209822625,0.073767622,0.124398731,2.95E-14,1.35E-48,1.19E-104,2.03E-182,6.67E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,3.176697216,4.829762943,1.951815445,12.77726947,3.009705819,2.024819367,3.524945416,7.577750203,3.321110088,2.385468488,0.894037043,1.510157687,3.58E-13,1.64E-47,1.45E-103,2.46E-181,8.09E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,1.34265012,4.829423473,0.69398442,6.794772901,0.743532422,0.584680653,1.167252271,2.260111378,1.752554453,0.442716437,0.160114014,0.270210668,6.41E-14,2.93E-48,2.59E-104,4.41E-182,1.45E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,4.057735794,4.829870904,2.689927216,15.74552918,4.283438225,2.987587618,5.024435039,10.61666451,4.182389049,3.881391619,1.46319423,2.471905233,5.86E-13,2.68E-47,2.37E-103,4.03E-181,1.32E-280,0,0,0,0,0,0,0,0,0,0,0,0,0,2.084230024,4.161406128,0.946587482,12.00817543,2.641026798,1.03801432,1.888819403,4.831243806,2.6402297,0.895415995,0.327843621,0.553448573,1.31E-13,6.01E-48,5.30E-104,9.03E-182,2.97E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,3.924806068,1.232696033,0.529937156,0.690083162,0.216740079,0.522499441,0.490918306,0.476750056,5.687439257,7.571244867,15.8225693,0.535124743,1.490167803,2.930015442,0.840431796,0.216448864,0.734911411,0.21079852,0.296286177,0.203321099,0.063473948,3.986896102,3.278587162,7.79848386,0.602367117,0.563081223,3.361835515,0.945508354,0.331191239,0.724762331,0.203837706,0.382598752,0.281140806,0.180092011,4.638535107,4.605198113,10.29647212,0.587143496,0.843831569,3.858519066,1.230832302,0.526333811,0.687096755,0.219177583,0.504330786,0.483979923,0.464971085,5.615685179,7.427887604,15.543232,0.530645133,1.453281794,3.570405547,1.011055144,0.380178704,0.719601983,0.203774411,0.432081918,0.329311255,0.244425645,4.961639395,5.351650682,11.68568839,0.579402974,1.005818819,3.985298075,1.273170897,0.557199472,0.685269133,0.218920819,0.538747757,0.523543854,0.527133865,5.815668444,8.003981659,16.64686101,0.5279037,1.589425476,3.865712136,1.23474495,0.526953369,0.68694334,0.219416188,0.506166524,0.486548254,0.465277809,5.627410454,7.460871582,15.60351928,0.530415011,1.457992587 +UMLS0050,L,4- methyl-2- pentanone,CC(C)CC(=O)C,7909,"""methylisobutylketone""","Sandia, UML",[11],C6H12O,UML,,0.2,0,-0.0497,0.00247009,32.0097,20.697102,0,0,21,7,14,0,6,0,1,0,0,0,0,0,0,0,1135.777623,1130.883694,1439.608479,952.272388,790.075108,302.76288,36.578304,0,0,3192.664609,3905.83924,4854.28677,4657.548737,4120.444613,3126.683726,1119.0148,0,0,152.653308,149.87668,276.2031,324.084496,271.694992,251.444736,241.864704,0,0,23.60118467,29.42390034,37.94565979,38.49779103,37.41995415,32.0604183,16.00606457,0,0,3535.064551,2957.579749,6033.097523,7092.116237,6470.573576,5893.952969,6657.035473,0,0,45.80555556,46.66666667,80.77777778,91.33333333,59,60,36,0,0,54.08464871,56.5441847,38.90833727,22.6731521,20.2583361,8.41008,1.016064,0,0,152.0316481,195.291962,131.1969397,110.8940175,105.652426,86.85232572,31.08374443,0,0,7.269205143,7.493834,7.464948649,7.716297524,6.966538256,6.984576,6.718464,0,0,1.123865937,1.471195017,1.025558373,0.916614072,0.959486004,0.890567175,0.444612905,0,0,168.3364072,147.8789875,163.0566898,168.8599104,165.912143,163.7209158,184.917652,0,0,2.181216931,2.333333333,2.183183183,2.174603175,1.512820513,1.666666667,1,0,0,0.167385845,-0.053514549,0.03446159,-0.110774136,0.028286874,-0.005666155,0.023513453,0,0,638.6281311,-22.56118033,123.0342012,-518.4730811,45.94086945,-482.9657385,535.7108638,0,0,965.983639,-166.0761568,-52.27177402,-239.3249831,69.70186553,-897.6975171,802.676746,0,0,1.082321143,0.050429388,0.074985796,-1.055124571,0.094134449,-0.027560816,0.321975184,0,0,4.253148428,-1.120695763,-1.142236037,0.689358614,0.319172316,-3.964193139,3.092019795,0,0,23.45618849,-6.732245357,-7.792566056,6.400530384,1.78889071,-21.41385605,16.02115213,0,0,8.026455026,-2.747417486,5.613441673,-10.15608466,3.081821618,-3.997732426,4.192743764,0,0,0.007970755,-0.002675727,9.31E-04,-0.002637479,7.25E-04,-1.57E-04,6.53E-04,0,0,30.41086339,-1.128059016,3.325248682,-12.34459717,1.177971012,-13.41571496,14.88085733,0,0,45.9992209,-8.303807841,-1.412750649,-5.698213883,1.787227321,-24.93604214,22.29657628,0,0,0.051539102,0.002521469,0.002026643,-0.025122014,0.002413704,-7.66E-04,0.008943755,0,0,0.202530878,-0.056034788,-0.030871244,0.0164133,0.008183906,-0.110116476,0.085889439,0,0,1.116961357,-0.336612268,-0.210609893,0.152393581,0.045868993,-0.594829335,0.445032004,0,0,0.382212144,-0.137370874,0.15171464,-0.241811539,0.079021067,-0.111048123,0.116465105,0,0,-0.335693119,0.116851464,-0.330894574,0.09099571,-0.019746335,0.081943492,0,0,-0.037093949,0.109344106,-0.405927218,0.038735204,-0.441148769,0.489327026,0,0,-0.180520619,-0.030712491,-0.123876313,0.038853426,-0.542097054,0.48471639,0,0,0.048923425,0.039322438,-0.487435997,0.046832477,-0.014854318,0.17353339,0,0,-0.276672816,-0.152427346,0.081040978,0.040408187,-0.543702163,0.424080712,0,0,-0.301364291,-0.188556114,0.136435858,0.041065872,-0.532542448,0.398430976,0,0,-0.35941002,0.396938303,-0.632663151,0.206746615,-0.290540541,0.30471325,0,0,1.344741527,1.417805837,2.881393909,0.072885605,0.188479742,0,0,0,1.351907573,1.036907151,1.637321092,0.777731262,1.263813301,0,0,0,1.667047457,1.093054111,1.023666877,0.956123487,1.553700666,0,0,0,0.915140581,1.481550577,3.050355972,0.089896064,0.146081103,0,0,0,1.833557922,1.217098138,0.801048661,0.970791453,1.577536111,0,0,0,1.868478074,1.264085378,0.77694382,0.956180914,1.553793985,0,0,0,1.456987475,0.903543623,2.640079103,0.170376756,0.830586684,0,0,0,24.79403391,12.52201696,18.52201696,24.97260534,3.567515049,12.52202735,0.25,5.55E-17,7.93E-18,-26.20096343,2000010.832,285715.8332,10.15606421,24.80445812,12.52686185,18.53113495,24.98250497,3.568929281,12.52687219,0.249265579,8.33E-16,1.19E-16,-24.30532828,2000010.831,285715.833,10.15606421,34.06032461,16.83066506,26.65502993,33.77532855,4.825046936,16.83066518,-0.398994478,2.22E-16,3.17E-17,-25.23055737,2000010.288,285715.7554,10.15606402,24.81539859,12.5319467,18.54070466,24.99289488,3.570413554,12.53195698,0.2484948,1.11E-16,1.59E-17,-25.7157604,2000010.83,285715.8328,10.15606421,43.88849991,21.40310282,35.29740114,43.11543258,6.159347512,21.40310283,-1.082294264,1.67E-16,2.38E-17,-25.43193482,2000010.107,285715.7296,10.15606395,25.88600966,13.02957192,19.47784443,26.00967694,3.715668134,13.02957802,0.173134186,3.89E-16,5.55E-17,-24.83882632,2000010.717,285715.8167,10.15606417,26.68886708,13.47935418,19.32922528,26.88161085,3.840230121,13.47935784,0.26984127,4.44E-16,6.34E-17,-24.74535435,2000010.916,285715.8451,10.15606424,0,11.89,15.99491614,-0.375319647,0.1261689,5.353938456,6.863208452,6,20,20,20,6,0,0,0,0,0,17.220898,3.479286242,3.112599877,2.333552793,2.333552793,1.935359717,1.162837791,0.523891879,0.083923071,1.806415989,1.667247237,1.249629723,1.249629723,0.632246734,0.440344289,0.083923071,0.083923071,3.419952489,3.150713835,2.405454588,2.405454588,1.796262707,1.269690916,0.425946291,0.270913902,1.787861337,1.58857667,1.134540686,1.134540686,0.597673242,0.290000277,0.270913902,0.270913902,3.606298612,3.318028628,2.704236987,2.704236987,2.225116397,1.702702127,1.071114653,0.943918427,1.559938968,1.351217995,0.76031856,0.76031856,0.124091057,0.218324093,0.943918427,0.943918427,3.417378665,3.178805544,2.457539916,2.457539916,1.788734022,1.346550641,0.426535677,0.399277246,1.7765856,1.537907807,1.058262671,1.058262671,0.577268753,0.188893887,0.399277246,0.399277246,3.645232044,3.398793114,2.838982085,2.838982085,2.30961604,1.891182114,1.208225193,1.207644823,1.515604221,1.275766962,0.631337262,0.631337262,0.022793335,0.40108138,1.207644823,1.207644823,3.616479109,3.214417714,2.598486893,2.598486893,2.343874385,1.382195852,0.966452287,0.5625,1.654758804,1.48511223,0.910986893,0.910986893,0.303296978,0.111501337,0.5625,0.5625,0,0,0,0,0,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.471404521,0,0,0,0.471404521,0.942809042,0.23570226,0.272165527,0.544331054,0.136082763,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,5.562948829,2.780805598,2.233592343,0.544331054,0.544331054,0,0,0,0.794706976,0.4634676,0.31908462,0.136082763,0.136082763,0,0,0,10.50759373,20.54552076,19.42745098,19.72,12.07012096,162.609612,0.500361606,0.978358131,0.925116713,0.939047619,0.574767665,7.743314856,1.8198,31.357,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,38,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.144444444,0,0,0,0,0,0,0,0,0,0,0,8.166666667,0,0,0,0,0,0.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,2.041666667,0,0,0,0,0,0.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.041666667,0,0,0,0,0,0.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.16666667,2.023809524,0.45,5.25,0.055555556,0.375,3.84675,0.958333333,1.75,3.833333333,0.958333333,1.75,3.833333333,3.33333,0.47619,0,0.02381,0.46984,0.80952,0.42174,0.46984,0.80952,0.0481,0,-0.0481,0,0.58823,0.12606,0,0.6,0.3,0,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.44037,0.92005,7.47656,1.03619,0.14803,2.64202,0.37743,3.12588,0.48386,0.06912,0.28812,0.04116,0.28812,0.04116,0,6.01,1,1,1,1,0,0,1,1.115520094,1.377890332,1.772338851,1.772338851,1.563180878,1.240103029,23.42592197,28.93569697,37.21911587,37.21911587,32.82679845,26.0421636,0.253970737,0.313704635,0.403508827,0.403508827,0.355889779,0.282334565,3.276797329,3.014427091,2.619978572,2.619978572,2.829136544,3.152214394,0.258107046,0.318813803,0.410080596,0.410080596,0.361685998,0.286932823,9.935135927,13.08357879,13.48111388,13.48111388,10.13564997,6.258715768,25.72285013,21.9461562,22.66880993,22.66880993,20.99554615,17.11861195,7,3.06122449,6,7,0,3,2.01,1.0127,1.889881575,0,4.618802154,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.332,0.33,0.234,0.024,2.672,7,4,4,0,0,0,0,0,0,28,1.945910149,2.079441542,1.609437912,1.609437912,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,2.5,0.444444444,0.5,0,0,0,0,0,0,0,0.416666667,0.063492063,0.125,0,0,0,0,0,0,0,0.60515873,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,9.23,121.1225932,3.807354922,3.295836866,3.891820298,4.65396035,5.262690189,6.033086222,6.64509097,7.417580402,8.030409562,8.803424212,67.03389907,2.564949357,0,3.713572067,0,4.976733742,0,6.300785795,0,7.655864018,7.958576904,102.1044651,4.862117384,12.50916243,1.787023205,2.759305623,2.759305623,0,48,4,1.786,26,1.2239,2.089999681,2.848856381,3.456167734,4.063840867,4.721292034,0,0,0,0,80.31687478,91.32927946,68.74203028,78.23376463,36.54382475,4.79713487,0,0,0,0,260.8372223,295.5205042,328.5905536,386.9553405,370.8038447,146.755435,0,0,0,0,9.248938802,15.73320307,22.01110443,24.1202139,28.46937969,31.71983057,0,0,0,0,1.90483678,2.253728213,2.691451825,3.444135024,3.761859577,2.099147366,0,0,0,0,179.4180724,337.34898,478.6916479,570.4494244,658.5513228,873.0502375,0,0,0,0,2.950533333,4.829111942,6.2720346,5.374187198,6.986447684,4.721292034,0,0,0,0,0.4256175,0.541063479,0.646345621,0.737148235,0.818288003,0.483460304,0,0,0,0,369.5446275,196.2494494,10.81717016,109.6845596,-58.24880901,-10.18137122,259.8600679,254.4982584,20.99854138,0.771122956,0.409510636,0.022572019,0.228877044,-0.121546873,-0.021245307,177.0965715,94.04846412,5.183903665,52.56404235,-27.9145294,-4.879210253,0.111853907,0.706711503,0.739856822,12.41795255,461.6577277,17.57145949,0.963333912,0.036666088,443.6860744,21.06385706,7.627085227,579.3045795,24.06874695,8.33621654,754.3872326,27.46611062,9.103284378,1.366949698,1.022665312,323.098012,304.5019777,116.5962803,1.061070324,2.771083358,2.611592555,3.725624216,3.119969617,6.192856038,0.984909085,3.90460794,5.922587268,4.360805707,9.773373692,7.001747037,4.726763655,4.450096484,4.676833077,4.160200603,1.849607791,0.987891991,1.07E-04,5.40E-29,6.31E-75,1.48E-142,6.74E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686927,4.823141843,0.264908257,3.447386382,0.443440197,0.93306151,1.558468412,0.37957544,0.172623473,0.117556422,0.006957804,7.55E-07,3.80E-31,4.45E-77,1.04E-144,4.75E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.057812657,4.44111614,0.753390701,4.141750086,1.110596812,1.392527603,1.905292586,1.220102309,0.672971854,0.404307205,0.072505683,7.87E-06,3.96E-30,4.63E-76,1.09E-143,4.95E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631458,6.027088838,4.371043611,9.605350412,7.325414202,4.383111979,4.186959591,4.400797784,3.805142299,1.719941989,0.880193978,9.55E-05,4.81E-29,5.62E-75,1.32E-142,6.01E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021119,4.378839822,1.094576193,4.796009335,1.523880152,1.801439647,2.215652578,1.807975352,1.109559997,0.620986286,0.157492032,1.71E-05,8.61E-30,1.01E-75,2.36E-143,1.08E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379565,6.707769822,5.982951098,11.78095594,9.885526704,6.125644815,5.522149368,5.713582924,5.600787643,2.356532958,1.440747625,1.56E-04,7.88E-29,9.21E-75,2.16E-142,9.84E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.353223703,4.762709878,2.483939326,7.798634069,4.569981612,2.400200895,3.16088505,2.879134023,1.905036531,1.015427603,0.3125752,3.39E-05,1.71E-29,2.00E-75,4.68E-143,2.13E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.514787566,1.119915952,0.999216633,0.6238618,0.198780942,0.581436721,0.417003858,0.501663686,5.633920151,8.567339508,18.13444278,0.4357927,1.500104265,2.502452909,0.681251509,0.47986957,0.683063292,0.185952709,0.29450508,0.154261727,0.115599764,3.663573989,3.232562692,7.714218238,0.524594938,0.56436657,3.04627693,0.857593272,0.716840705,0.659265856,0.18559769,0.436564605,0.244486504,0.258077005,4.620710907,5.410919668,11.90435297,0.488898783,0.939128114,3.436035585,1.102918565,0.970966476,0.623608908,0.200169592,0.555663993,0.404413259,0.47367386,5.509920626,8.196839754,17.38640042,0.435413362,1.433751111,3.261657131,0.940934586,0.820247943,0.64936517,0.187331201,0.500549575,0.294344736,0.337967541,5.022839661,6.516173215,14.05635874,0.474047755,1.132861852,3.554248199,1.150400207,1.028945372,0.619898852,0.200642084,0.594596656,0.440018263,0.531977165,5.733593778,8.929634069,18.87038778,0.429848278,1.566592084,3.479087997,1.109470767,0.983005265,0.62443651,0.199130937,0.569719847,0.409245801,0.485523761,5.571564029,8.370523851,17.73643554,0.436654765,1.464489409 +UMLS0051,L,di-iso-propyl ether,CC(C)OC(C)C,7914,,UML,[1],C6H14O,PubChem,,1.3,0,2.2962,5.27253444,39.5198,20.74793,6,6,18,8,10,0,8,0,0,0,0,0,0,0,0,0,1164.273608,1275.183848,1618.236826,1302.451087,665.960907,176.61168,15.24096,0,0,3698.972658,4535.501378,6027.984113,5780.464594,3802.065966,1823.89884,466.2561665,0,0,127.508768,131.500448,215.362792,237.043708,251.515884,146.676096,100.77696,0,0,26.75732905,33.4466431,46.14629777,47.13658925,35.07969115,18.70191067,6.669193573,0,0,2863.531369,2545.580326,4521.165141,4932.336942,5910.353707,3438.139232,2773.76478,0,0,39.55555556,48,68.11111111,74.66666667,60.33333333,35,15,0,0,64.68186711,70.84354711,53.94122753,39.46821476,18.49891408,8.41008,1.016064,0,0,205.498481,251.9722988,200.9328038,175.1655938,105.6129435,86.85232572,31.08374443,0,0,7.083820444,7.305580444,7.178759733,7.183142667,6.986552333,6.984576,6.718464,0,0,1.48651828,1.858146839,1.538209926,1.428381492,0.974435865,0.890567175,0.444612905,0,0,159.0850761,141.4211292,150.7055047,149.4647558,164.1764919,163.7209158,184.917652,0,0,2.197530864,2.666666667,2.27037037,2.262626263,1.675925926,1.666666667,1,0,0,0.042001109,0.001537727,-0.003264416,-0.030893485,0.001555872,-0.007196137,0.017259884,0,0,538.0711511,3.27E-13,98.6463777,-408.0372896,-67.25889389,-251.0998705,358.7141007,0,0,1000.566282,-9.95E-14,183.4371517,-758.7627638,-125.0707852,-466.9309316,667.044188,0,0,0.105404444,1.52E-15,0.019324148,-0.079931704,-0.013175556,-0.049188741,0.07026963,0,0,4.472996822,3.72E-15,0.820049417,-3.39202259,-0.559124603,-2.087398517,2.981997881,0,0,24.29738973,4.40E-14,4.45452145,-18.42552054,-3.037173716,-11.33878187,16.19825982,0,0,3.901234568,-0.790123457,1.806584362,-3.522633745,0.283950617,-2.218106996,2.489711934,0,0,0.002333395,8.54E-05,-1.09E-04,-9.36E-04,4.32E-05,-3.43E-04,0.001150659,0,0,29.89284173,1.82E-14,3.28821259,-12.36476635,-1.868302608,-11.95713669,23.91427338,0,0,55.58701566,-5.53E-15,6.114571723,-22.99281102,-3.474188479,-22.23480627,44.46961253,0,0,0.005855802,8.46E-17,6.44E-04,-0.002422173,-3.66E-04,-0.002342321,0.004684642,0,0,0.248499823,2.07E-16,0.027334981,-0.102788563,-0.015531239,-0.099399929,0.198799859,0,0,1.349854985,2.44E-15,0.148484048,-0.558349107,-0.084365937,-0.539941994,1.079883988,0,0,0.216735254,-0.043895748,0.060219479,-0.106746477,0.007887517,-0.105624143,0.165980796,0,0,0.036611584,-0.046633285,-0.401203496,0.018521801,-0.146856051,0.493126509,0,0,6.07E-16,0.11,-0.413636364,-0.0625,-0.4,0.8,0,0,-9.94E-17,0.11,-0.413636364,-0.0625,-0.4,0.8,0,0,1.44E-14,0.11,-0.413636364,-0.0625,-0.4,0.8,0,0,8.31E-16,0.11,-0.413636364,-0.0625,-0.4,0.8,0,0,1.81E-15,0.11,-0.413636364,-0.0625,-0.4,0.8,0,0,-0.202531646,0.277848101,-0.492520138,0.036392405,-0.487341772,0.765822785,0,0,0.967589144,0.998047666,1.479359411,0.977165594,0.962826089,0.09505304,0,0,1.0625,0.8925,1.390909091,0.95625,1.275,0,0,0,1.0625,0.8925,1.390909091,0.95625,1.275,0,0,0,1.0625,0.8925,1.390909091,0.95625,1.275,0,0,0,1.0625,0.8925,1.390909091,0.95625,1.275,0,0,0,1.0625,0.8925,1.390909091,0.95625,1.275,0,0,0,1.291139241,0.62943038,1.540563867,0.820411392,1.452531646,0,0,0,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,25.79125018,12.71880932,18.0863666,25.77875018,3.222343772,12.71882167,-0.05,0,0,0,4000010.951,500001.3688,12.16144613,0,11.85,12.15008271,-0.21004645,0.090053194,5.924375,7.816266735,8,18,15,12,2,3,0,0,0,6,10.93207,3.800632445,2.978981869,2.762974573,2.137605186,2.024738679,0.860890511,0.441365589,0.253203243,1.989439978,1.493916978,1.314765021,0.90192186,0.783323018,0.273486817,0.083923071,0.083923071,3.811772059,3.0085188,2.794146532,2.199274719,2.082600027,0.977923291,0.545672476,0.401991169,1.957882549,1.412300855,1.22747324,0.806161123,0.682662645,0.10993525,0.270913902,0.270913902,3.862952392,3.149926772,2.944768167,2.451527919,2.324156623,1.460601384,0.963720007,0.953535121,1.873665992,1.180117151,0.977203845,0.498101568,0.369849397,0.45126013,0.943918427,0.943918427,3.820086262,3.030937363,2.817868956,2.243741401,2.124567978,1.062971497,0.621114151,0.505640746,1.938619327,1.360731895,1.172002931,0.7432712,0.617333107,6.94E-04,0.399277246,0.399277246,3.889420246,3.224500232,3.025008359,2.563088883,2.434292052,1.670619542,1.207644823,1.207644823,1.849609417,1.11246322,0.904639601,0.390633335,0.264988018,0.655413836,1.133948601,1.171910778,3.816589501,3.042359773,2.866202961,2.307372677,2.181134851,1.156292388,0.647919901,0.582515195,1.934675418,1.319153661,1.099544559,0.674207407,0.552260864,0.109889444,0.52173913,0.52173913,0,0,0,4,2,2,0,0,0,0,0,0,0.083333333,0.166666667,0,0,0,0.027777778,0.055555556,0.577350269,0,0,0,0.333333333,0,0,0,0.741581624,1.093412989,1.020220057,0.359116756,0.470227868,0.36655979,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,5.309401077,2.821367205,2.158154862,1.173575314,0.807015525,0.359116756,0.159223634,0,0.663675135,0.352670901,0.215815486,0.117357531,0.073365048,0.035911676,0.031844727,0,10.70913902,17.43918427,16.62745098,16.8,11.99277246,135.3693593,0.594952168,0.96884357,0.923747277,0.933333333,0.666265136,7.52051996,1.74264,33.722,30.91733718,41.28122386,61.83467437,7.729334296,30.91733718,0,0,0,4000010.293,500001.2866,12.16144599,54,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,4,0,0,0,0,0,0,0,0,2,0,0,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.637638889,0,0,0,0,1.637638889,0,0,0,0,0,0,0,0,4.208333333,0,0,0,0,8.449074074,0,0,0,0,2.675925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.337962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.394444444,0,0,0,0,0.394444444,0,0,0,0,0,0,0,0,2.104166667,0,0,0,0,2.074074074,0,0,0,0,1.337962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.41875,0,0,0,0,0.41875,0,0,0,0,0,0,0,0,2.104166667,0,0,0,0,2.166666667,0,0,0,0,1.337962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.33333333,1.916666667,0.41875,2.166666667,0.171875,1.337962963,4.879458333,0.328703704,0.166666667,1.314814815,0.328703704,0.166666667,1.314814815,4,0.5,0,0,0.47778,0.7,0.43333,0.43333,0.7,0.04444,0.04444,0,0,0.71429,0,0,0.25,0.25,0,10,1.25,4,0.5,6,0.75,2,0.25,0,0,4.13545,0.51693,8.42549,4.29004,0.53626,1.7065,0.21331,3.78768,2.08118,0.26015,0.12632,0.01579,0.21232,0.02654,0.333333333,8,0,0,0,0,0,0,0.25,0.99107606,2.197159723,2.530493057,2.974937501,2.974937501,2.86382639,17.83936908,39.54887502,45.54887502,53.54887502,53.54887502,51.54887502,0.237672394,0.526906293,0.606843782,0.7134271,0.7134271,0.68678127,3.178848942,1.972765278,1.639431945,1.1949875,1.1949875,1.306098611,0.225638533,0.500227901,0.576117984,0.677304761,0.677304761,0.652008066,6.714395846,15.2580338,19.2580338,20.92730881,19.70595603,19.59397548,29.66949396,25.1248139,20.55839723,18.35071112,19.55622501,19.79732779,6.125,2.52,1.8,0,6,0,2.34,0.9982,0.25,3.039342743,2.309401077,0,3.532775529,5.111544834,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,3.896,10,10,11,10,5,0,0,0,0,62,2.48490665,3.020424886,3.409496184,3.852803646,4.201890189,3.595598464,0,0,0,0,5.375856944,3.469758065,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,2,0.666666667,0.5,0.222222222,0,0,0,0,0,0,0.25,0.066666667,0.071428571,0.074074074,0,0,0,0,0,0,0.462169312,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,2.22E-16,2.78E-17,-28.83492271,4000010.414,500001.3017,12.16144602,0,115.7585009,4,3.610917913,4.343805422,5.141663557,5.888877958,6.690842277,7.44132039,8.24407127,8.995288991,9.798182591,76.15497037,2.833213344,0,4.043051268,0,5.451038454,0,6.947937069,0,8.479906607,8.727292029,106.0782503,5.893236129,15.53295821,1.941619777,0,0,0,61,7,2.866,36,1.231350208,2.153884096,3.048006828,3.801921238,5.033060421,5.75809861,0,0,0,0,96.27497539,127.0230877,127.107041,80.01405079,42.56457584,5.850596706,0,0,0,0,331.391896,461.8665856,551.8270398,436.9629257,438.9140267,178.9832656,0,0,0,0,9.024660361,15.52054458,21.92874492,26.67397594,35.16229157,38.68557822,0,0,0,0,2.402651941,3.484889382,4.45845756,3.944669592,4.496520382,2.560124949,0,0,0,0,172.3376467,320.5193794,453.1807557,615.6944526,823.3403233,1064.774075,0,0,0,0,3.384809093,5.095897651,7.009292642,6.680793934,8.409724681,5.75809861,0,0,0,0,0.494081992,0.722837911,0.93508506,0.844808092,0.980014389,0.589629298,0,0,0,0,240.7763734,99.83006889,9.720575199,83.62196423,-34.67111965,-4.403997454,157.1544091,134.5011885,14.12457265,0.742224437,0.307739151,0.029964935,0.257775563,-0.106878229,-0.013575894,78.10745525,32.38470839,3.153338435,27.12682618,-11.24725358,-1.428649453,0.150215797,0.147755314,2.884434414,2.109604246,324.3983376,0,1,0,604.8962865,24.59463938,8.457207237,702.6158965,26.50690281,8.890086578,982.3420843,31.34233693,9.940790395,1.421498417,1.334421864,399.4980654,275.8168409,130.423858,1.448417958,3.06307505,2.114772904,3.795090543,3.785389562,6.367568618,0.682143545,3.1157585,2.872001084,3.327386987,8.027448053,0.160880265,4.018613761,4.41103667,4.071777981,1.971544996,4.031685661,0.765237922,0.345905161,8.48E-18,4.01E-56,3.66E-116,6.45E-198,2.19E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,0.261593628,2.871879065,0.254838737,3.746844774,0.01395851,0.197939448,0.412570178,0.296707105,0.998920709,0.105862948,0.005389794,0.002436238,5.98E-20,2.83E-58,2.58E-118,4.54E-200,1.54E-303,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844189527,2.871887516,0.838090992,4.297649877,0.043947373,0.552512531,1.225605229,0.986851732,1.155123096,0.494931795,0.056164547,0.025387482,6.23E-19,2.95E-57,2.69E-117,4.73E-199,1.61E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,2.941028572,2.871987793,3.123750221,7.651140998,0.151885467,3.634254936,4.165143577,3.812218148,1.897026341,3.645500276,0.681813322,0.308195271,7.56E-18,3.58E-56,3.26E-116,5.74E-198,1.95E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,1.244123348,2.871898203,1.25151624,4.771653016,0.064534085,0.922198585,1.784659803,1.484495067,1.274920078,0.884428422,0.121996505,0.055145003,1.35E-18,6.40E-57,5.84E-117,1.03E-198,3.49E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,3.762704777,2.872056906,4.099004012,9.550467799,0.194184354,5.612557382,5.322728253,5.065117114,2.264457356,5.62715728,1.116027066,0.504470169,1.24E-17,5.85E-56,5.34E-116,9.40E-198,3.19E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,1.696338999,2.686835266,1.514815456,5.587864036,0.087758258,1.383638377,2.335247233,2.025209977,1.498346475,1.371763877,0.2083073,0.094159439,2.31E-18,1.09E-56,9.97E-117,1.76E-198,5.96E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,4.152900762,1.992380639,0.18582572,0.655951745,0.314697035,0.589257875,0.45351132,0.222234263,6.331107121,9.416110416,17.2847691,0.483927617,1.265003458,2.568142385,1.222708234,0.03176021,0.671829412,0.319862076,0.2253605,0.170816521,0.006491846,3.822610829,3.260487051,7.182827761,0.507744118,0.402668867,3.111844286,1.486784735,0.084618344,0.664462934,0.31746876,0.330868612,0.252560869,0.046081815,4.683247364,5.015770952,10.09051715,0.496694402,0.629511296,4.103725219,1.968499074,0.181045126,0.656252745,0.31479518,0.575386083,0.442705644,0.21094687,6.253269419,9.177525905,16.89331031,0.484379117,1.229038598,3.386940511,1.62039151,0.111362403,0.661680544,0.316563439,0.391948137,0.29998696,0.079813684,5.118694425,6.045798177,11.77566836,0.492520816,0.77174878,4.31105839,2.069187744,0.201200966,0.65503199,0.314397079,0.63499245,0.489147434,0.260530971,6.5814471,10.20410087,18.58033889,0.482547985,1.384670855,4.102520715,1.969487289,0.180718805,0.656117057,0.314980544,0.57504854,0.443150533,0.210187127,6.252726809,9.177188431,16.89009832,0.484175586,1.228386199 +UMLS0052,L,m-xylene,CC1=CC(=CC=C1)C,7929,Sandia values from independent api report ,Sandia,,C8H10,PubChem,,1.2,0,2.7426,7.52185476,43.8018,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1921.920348,1661.589729,1141.170918,363.21264,36.578304,0,0,4184.657049,5188.491512,7083.005766,7253.750607,5603.328987,3442.098491,1119.0148,0,0,148.486212,153.276228,257.716848,281.393604,335.801112,213.52896,241.864704,0,0,30.43545486,38.46263172,54.17148079,58.5064293,49.45470151,33.4063293,16.00606457,0,0,3360.161029,2978.619777,5482.629357,5734.825636,7859.610331,4593.676431,6657.035473,0,0,44.33333333,54,78.33333333,90,80,60,36,0,0,62.40808843,68.74581643,53.38667633,42.60486485,23.77439412,12.107088,1.016064,0,0,199.2693833,247.0710244,196.7501602,185.9936053,116.7360206,114.7366164,31.08374443,0,0,7.070772,7.298868,7.158801333,7.215220615,6.9958565,7.117632,6.718464,0,0,1.449307374,1.831553891,1.504763355,1.500164854,1.030306281,1.11354431,0.444612905,0,0,160.0076681,141.839037,152.2952599,147.0468112,163.7418819,153.1225477,184.917652,0,0,2.111111111,2.571428571,2.175925926,2.307692308,1.666666667,2,1,0,0,0.040155602,0.002342023,0.005962364,-0.043375966,0.019847947,-0.041208049,0.03635388,0,0,622.6251891,3.91E-13,229.7783436,-533.6787336,81.53425096,-889.4645559,800.5181003,0,0,1157.798126,-1.14E-13,427.2826418,-992.3983939,151.6164213,-1653.997323,1488.597591,0,0,0.121968,1.86E-15,0.045012,-0.104544,0.015972,-0.17424,0.156816,0,0,5.175896322,9.60E-15,1.910152214,-4.436482562,0.677795947,-7.394137603,6.654723843,0,0,28.11555097,4.40E-14,10.37597714,-24.09904369,3.681798341,-40.16507281,36.14856553,0,0,4.285714286,-1.238095238,3.367346939,-5.482993197,3.06122449,-7.074829932,5.224489796,0,0,0.001912172,1.12E-04,1.66E-04,-0.001112204,4.13E-04,-0.001373602,0.00100983,0,0,29.64881853,1.86E-14,6.382731767,-13.68407009,1.698630228,-29.64881853,22.2366139,0,0,55.13324411,-5.41E-15,11.86896227,-25.44611267,3.158675444,-55.13324411,41.34993308,0,0,0.005808,8.88E-17,0.001250333,-0.002680615,3.33E-04,-0.005808,0.004356,0,0,0.246471253,4.57E-16,0.053059784,-0.113755963,0.014120749,-0.246471253,0.18485344,0,0,1.33883576,2.09E-15,0.288221587,-0.617924197,0.076704132,-1.33883576,1.00412682,0,0,0.204081633,-0.058956916,0.093537415,-0.140589569,0.06377551,-0.235827664,0.145124717,0,0,0.058323684,0.086614207,-0.581644603,0.216245713,-0.718346452,0.52810639,0,0,6.28E-16,0.215277778,-0.461538462,0.057291667,-1,0.75,0,0,-9.82E-17,0.215277778,-0.461538462,0.057291667,-1,0.75,0,0,1.53E-14,0.215277778,-0.461538462,0.057291667,-1,0.75,0,0,1.86E-15,0.215277778,-0.461538462,0.057291667,-1,0.75,0,0,1.56E-15,0.215277778,-0.461538462,0.057291667,-1,0.75,0,0,-0.288888889,0.458333333,-0.688888889,0.3125,-1.155555556,0.711111111,0,0,0.988654709,0.909607297,1.742568162,0.875330631,1.461474012,0.074226096,0,0,1.111111111,0.810185185,1.495726496,0.850694444,1.944444444,0,0,0,1.111111111,0.810185185,1.495726496,0.850694444,1.944444444,0,0,0,1.111111111,0.810185185,1.495726496,0.850694444,1.944444444,0,0,0,1.111111111,0.810185185,1.495726496,0.850694444,1.944444444,0,0,0,1.111111111,0.810185185,1.495726496,0.850694444,1.944444444,0,0,0,1.444444444,0.432098765,1.854700855,0.453703704,2.333333333,0,0,0,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,31.84632567,15.8898295,21.13524663,31.79447381,3.532719313,15.88983002,-0.066666667,3.33E-16,3.70E-17,-32.07436945,42.05922378,4.673247086,3.365170843,0,11.89,12.11013444,-0.154940595,0.065427332,6.0764172,8.135950041,9,21,18,15,3,3,0,0,0,6,13.118484,3.831659838,2.978981869,2.978981869,2.23863706,2.024738679,2.024738679,0.441365589,0.441365589,2.007621523,1.493916978,1.493916978,1.114523793,0.783323018,0.783323018,0.083923071,0.083923071,3.841767027,3.0085188,3.0085188,2.307509994,2.082600027,2.082600027,0.545672476,0.545672476,1.977512166,1.412300855,1.412300855,1.005637663,0.682662645,0.682662645,0.270913902,0.270913902,3.888629994,3.149926772,3.149926772,2.594323264,2.324156623,2.324156623,0.963720007,0.963720007,1.898531894,1.180117151,1.180117151,0.648152785,0.369849397,0.369849397,0.943918427,0.943918427,3.849331676,3.030937363,3.030937363,2.357458752,2.124567978,2.124567978,0.621114151,0.621114151,1.959268094,1.360731895,1.360731895,0.93313087,0.617333107,0.617333107,0.399277246,0.399277246,3.913152,3.224500232,3.224500232,2.723590331,2.434292052,2.434292052,1.207644823,1.207644823,1.876343207,1.11246322,1.11246322,0.52431895,0.264988018,0.264988018,1.133948601,1.133948601,3.838314638,3.055466305,3.055466305,2.442311884,2.193688616,2.193688616,0.657550841,0.657550841,1.960646187,1.3069968,1.3069968,0.839638827,0.540885432,0.540885432,0.529411765,0.529411765,0,0,0,3,3,3,0,0,0,0,0,0,0.068041382,0.204124145,0,0,0,0.024056261,0.072168784,0.866025404,0,0,0,0.5,0,0,0,1,1.995781916,1.747400241,0.5,0.913675135,0.683012702,6.853371151,4.18154055,4.022621928,2.414213562,2.349335306,0.98559856,0.696923425,0,0.761485683,0.464615617,0.335218494,0.201184464,0.156622354,0.082133213,0.077435936,0,6.232050808,3.232050808,2.665063509,1.366025404,1.202350269,0.394337567,0.269337567,0,0.69245009,0.359116756,0.222088626,0.11383545,0.080156685,0.032861464,0.029926396,0,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,1.77066,37.362,36.23240609,46.59629277,72.46481219,8.051645799,36.23240609,0,0,0,50.96615924,5.662906583,3.538045681,63,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.153333333,0,0,0,0,1.153333333,0,0,0,0,0,0,0,0,6.375,0,0,0,0,6.5625,0,0,0,0,4.0625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.354166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384444444,0,0,0,0,0.384444444,0,0,0,0,0,0,0,0,2.125,0,0,0,0,2.1875,0,0,0,0,1.354166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.1875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384444444,0,0,0,0,0.384444444,0,0,0,0,0,0,0,0,2.125,0,0,0,0,2.1875,0,0,0,0,1.354166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17,1.888888889,0.384444444,2.1875,0.15625,1.354166667,5.5286875,0.3125,0.1875,1.875,0.3125,0.1875,1.875,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.33333,0.33333,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.71523,0.63503,10.39611,4.68088,0.5201,2.05974,0.22886,4.18152,2.12178,0.23575,0.23248,0.02583,0.31848,0.03539,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.128085279,2.128085279,2.128085279,2.128085279,2.128085279,20.68979086,44.68979086,44.68979086,44.68979086,44.68979086,44.68979086,0.224307135,0.484501705,0.484501705,0.484501705,0.484501705,0.484501705,3.407089287,2.264232144,2.264232144,2.264232144,2.264232144,2.264232144,0.214882485,0.464144533,0.464144533,0.464144533,0.464144533,0.464144533,6.75154531,15.36999611,15.36999611,15.36999611,15.36999611,15.36999611,33.82580122,27.57483228,27.57483228,27.57483228,27.57483228,27.57483228,7.111111111,2.722222222,2,0,6,0,2.45,1.1391,0.75,3.571652367,4.326748711,0,1.5,6.240251469,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.1,0.505,0.68,4.372,12,12,15,12,9,0,0,0,0,78,2.564949357,3.157000421,3.548179572,4.066887716,4.342993404,4.123093976,0,0,0,0,5.606950304,3.478365385,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,4,0.333333333,3,0.666666667,0.9375,0.333333333,0,0,0,0,0,0,0.333333333,0.055555556,0.104166667,0.055555556,0,0,0,0,0,0,0.548611111,19.13022188,25.95864901,38.26044376,4.251160418,19.1302219,4.44E-16,4.93E-17,-31.81545559,34.85310704,3.872567448,3.196028059,0,133.0544855,4.169925001,3.761200116,4.510859507,5.351858133,6.11146734,6.957497371,7.719129841,8.566173814,9.328212293,10.17545936,80.48185778,2.944438979,0,4.204692619,0,5.645446898,0,7.181591945,0,8.760766624,8.995660899,120.0939004,5.718757161,17.38171618,1.931301798,0,0,0,84,9,3.258,42,1.233300178,2.143634968,3.067216359,3.776833311,5.127024075,5.718497301,0,0,0,0,94.09564805,126.6104696,139.9322291,105.4882059,62.07333166,5.810359242,0,0,0,0,326.4685465,454.7366992,592.1040208,491.8880052,588.2573945,177.7523086,0,0,0,0,9.031490446,15.41341623,22.16025386,26.56261715,36.49227062,38.41951825,0,0,0,0,2.376896686,3.421507076,4.718641822,4.22132494,5.709168486,2.542517696,0,0,0,0,173.0750978,321.7128589,449.180834,607.9603435,785.0629886,1057.451094,0,0,0,0,3.265286308,4.896798955,7.171554173,6.688641514,10.25404815,5.718497301,0,0,0,0,0.489174207,0.709566469,0.986985678,0.897048767,1.230485778,0.585574124,0,0,0,0,274.1143001,119.6860576,9.372117195,99.37773861,-43.39113188,-4.660144438,174.7365615,163.0771895,14.03226163,0.733922739,0.320451429,0.025093218,0.266077261,-0.116176859,-0.012477226,102.3795088,44.70178966,3.500411158,37.1167942,-16.20624231,-1.740526847,0.142643722,0.128028164,2.739035892,1.538051605,373.4920387,0,1,0,669.1530565,25.8679929,8.746651482,786.0344264,28.03630551,9.22884154,1134.665132,33.68479081,10.43011835,1.16066906,1.059964004,538.2183018,282.8358901,265.4963621,1.902934955,2.027215354,1.065309851,4.23758103,4.355172234,6.54925274,0.50378731,3.591901278,3.871162657,3.71050078,8.942055074,0.172544558,6.025544479,6.741029973,3.856699808,8.593259789,3.704356744,5.455509777,2.556234124,1.50E-09,5.54E-40,3.94E-92,5.41E-166,1.43E-261,0,0,0,0,0,0,0,0,0,0,0,0,0,0.301552992,3.870979963,0.274666938,5.369459264,0.014936667,0.296763751,0.643055458,0.280006755,2.345294522,0.151412689,0.044659248,0.018003766,1.06E-11,3.90E-42,2.77E-94,3.81E-168,1.01E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,0.973183225,3.870992572,0.91021939,5.961449222,0.047105475,0.769769305,1.884627296,0.931978508,3.435930635,0.593856828,0.416424133,0.187613122,1.10E-10,4.06E-41,2.89E-93,3.97E-167,1.05E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390468513,3.871142741,3.47689266,8.67478775,0.162895094,5.428483271,6.366600292,3.610105358,8.145420685,3.386807209,4.865054605,2.277558583,1.34E-09,4.93E-40,3.51E-92,4.82E-166,1.28E-261,0,0,0,0,0,0,0,0,0,0,0,0,0,1.434236324,3.871008556,1.36603603,6.40858503,0.069189042,1.301236704,2.737864155,1.402728426,4.239461407,0.981546319,0.889184373,0.407520771,2.39E-10,8.83E-41,6.28E-93,8.62E-167,2.28E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,4.337716138,3.871246314,4.601866512,9.986756879,0.208273113,8.515904588,8.128641743,4.801101969,10.32559865,4.993688609,7.936009344,3.72802723,2.19E-09,8.07E-40,5.75E-92,7.89E-166,2.09E-261,0,0,0,0,0,0,0,0,0,0,0,0,0,2.013498025,3.616537559,1.643321722,7.497545882,0.096902338,2.020948544,3.200401487,1.753694292,5.49480314,1.495126495,1.55178584,0.716453163,4.21E-10,1.55E-40,1.10E-92,1.52E-166,4.01E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,3.679997233,3.47222726,0.238917897,0.497892888,0.469782217,0.536899752,0.515760681,0.285728349,7.391142389,14.48658114,24.93056546,0.451512658,1.338388783,2.312861851,2.168451909,0.042080398,0.511311146,0.479386017,0.212133953,0.201296399,0.008863711,4.523394158,5.203905164,9.938346394,0.486045745,0.422294063,2.791198338,2.624652788,0.110952785,0.505029377,0.474895225,0.308917614,0.294817858,0.061621511,5.526803911,7.926830268,14.26646613,0.469886904,0.665356982,3.63879206,3.43293517,0.232985508,0.498143074,0.469961694,0.524946495,0.504162027,0.271715105,7.304712738,14.1393472,24.35445369,0.452157152,1.300823626,3.029468599,2.851881321,0.145258544,0.502682166,0.473214966,0.363893495,0.348031781,0.105618333,6.026608464,9.494001234,16.77559775,0.463845699,0.817543609,3.812009072,3.598109055,0.257923825,0.497129397,0.469234399,0.576101298,0.55380761,0.332995904,7.668041953,15.62727037,26.8330018,0.449545694,1.462904812,3.64022838,3.434249532,0.232685385,0.498172578,0.469983959,0.525360424,0.504546525,0.271015541,7.307163297,14.14758023,24.36364884,0.452234805,1.30092249 +UMLS0053,L,"1,3,5-trimethylbenzene",CC1=CC(=CC(=C1)C)C,7947,Sandia values for MON averaged between sources including independent api report and biocompoundML source where the MON was 120 (from co-optima database). Therefore I think we should go with UML values since they are from reliable source,"Sandia, UML",[1],C9H12,PubChem,,-6,0,-0.2194,0.04813636,26.1737,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1477.025768,1132.116893,431.027017,82.888848,6.096384,0,0,3399.790734,4570.930941,6619.957195,6504.082355,3827.665667,1257.525459,186.5024666,0,0,146.842108,152.43046,299.130272,419.991476,372.001636,183.394368,40.310784,0,0,25.74688067,35.11192034,54.8202553,59.80401473,40.40094347,15.34920546,2.667677429,0,0,3476.407621,3031.276161,6474.882305,9786.999304,9259.732723,4833.801083,1109.505912,0,0,31.02777778,38,65.33333333,84.83333333,68.16666667,30.5,6,0,0,48.76541633,56.15943233,35.16728019,18.86861488,7.981981796,3.069957333,1.016064,0,0,161.8947969,217.6633782,157.6180285,108.4013726,70.88269754,46.57501701,31.08374443,0,0,6.992481333,7.258593333,7.122149333,6.999857933,6.888919185,6.792384,6.718464,0,0,1.226041937,1.671996207,1.305244174,0.996733579,0.74816562,0.568489091,0.444612905,0,0,165.54322,144.3464838,154.1638644,163.1166551,171.4765319,179.0296697,184.917652,0,0,1.477513228,1.80952381,1.555555556,1.413888889,1.262345679,1.12962963,1,0,0,0.028633867,-0.001407354,-0.00797372,-0.012604541,-0.003573366,0.007573217,0.00366883,0,0,564.9747087,5.76E-13,-161.4213453,-282.4873543,-80.71067267,161.4213453,80.71067267,0,0,1050.594596,0,-300.1698846,-525.297298,-150.0849423,300.1698846,150.0849423,0,0,0.110674667,1.58E-15,-0.031621333,-0.055337333,-0.015810667,0.031621333,0.015810667,0,0,4.696646663,7.55E-15,-1.341899046,-2.348323331,-0.670949523,1.341899046,0.670949523,0,0,25.51225921,2.26E-14,-7.289216918,-12.75612961,-3.644608459,7.289216918,3.644608459,0,0,1.661375661,-0.432539683,-0.100529101,-0.56292517,-0.195389267,0.260770975,0.199924414,0,0,0.001363517,-6.70E-05,-1.90E-04,-2.10E-04,-6.62E-05,2.80E-04,6.11E-04,0,0,26.90355756,2.74E-14,-3.843365365,-4.708122572,-1.494642086,5.978568346,13.45177878,0,0,50.0283141,0,-7.146902014,-8.754954967,-2.779350783,11.11740313,25.01415705,0,0,0.005270222,7.54E-17,-7.53E-04,-9.22E-04,-2.93E-04,0.00117116,0.002635111,0,0,0.223649841,3.60E-16,-0.031949977,-0.039138722,-0.012424991,0.049699965,0.111824921,0,0,1.214869486,1.08E-15,-0.173552784,-0.21260216,-0.067492749,0.269970997,0.607434743,0,0,0.079113127,-0.020597128,-0.00239355,-0.009382086,-0.00361832,0.009658184,0.033320736,0,0,-0.049149977,-0.139235826,-0.154068928,-0.048531417,0.205710238,0.448451667,0,0,1.02E-15,-0.142857143,-0.175,-0.055555556,0.222222222,0.5,0,0,0,-0.142857143,-0.175,-0.055555556,0.222222222,0.5,0,0,1.43E-14,-0.142857143,-0.175,-0.055555556,0.222222222,0.5,0,0,1.61E-15,-0.142857143,-0.175,-0.055555556,0.222222222,0.5,0,0,8.88E-16,-0.142857143,-0.175,-0.055555556,0.222222222,0.5,0,0,-0.260350318,-0.030254777,-0.118590764,-0.045736023,0.122080679,0.421178344,0,0,1.477163724,1.274217785,1.13324702,0.849142722,0.429331252,0.003657132,0,0,1.428571429,1.326530612,1.142857143,0.833333333,0.396825397,0,0,0,1.428571429,1.326530612,1.142857143,0.833333333,0.396825397,0,0,0,1.428571429,1.326530612,1.142857143,0.833333333,0.396825397,0,0,0,1.428571429,1.326530612,1.142857143,0.833333333,0.396825397,0,0,0,1.428571429,1.326530612,1.142857143,0.833333333,0.396825397,0,0,0,1.751592357,0.979299363,1.100716561,0.916489738,0.613057325,0,0,0,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,26.751821,13.22427373,19.43909809,26.71185501,3.815979287,13.22428042,-0.093253968,0.001166081,1.67E-04,-4.727874868,26.92918315,3.847026164,2.305247402,0,11.9,12.10010405,-0.151390191,0.048727336,5.84037006,7.811257143,7,21,21,21,7,0,0,0,0,0,15.304898,3.619709833,2.947870273,2.750129472,2.19778794,1.456797487,1.282157777,0.909056138,0.083923071,1.992782358,1.526948,1.372874417,1.089355281,0.666206401,0.569924766,0.357956204,0.083923071,3.644947749,2.986968346,2.792995694,2.266448281,1.556142907,1.390133583,1.040076644,0.270913902,1.938180965,1.443918105,1.285229005,0.975931258,0.522081792,0.419185133,0.196789634,0.270913902,3.755653422,3.160130501,2.981537655,2.554776995,1.9628467,1.827874832,1.548123573,0.943918427,1.777717199,1.194734652,1.018928274,0.609339375,0.037619229,0.092397527,0.362426509,0.943918427,3.663523346,3.015874385,2.824624264,2.316381118,1.62787375,1.467847241,1.132774638,0.399277246,1.903434383,1.390527877,1.228596505,0.900910738,0.425347018,0.317667215,0.087474289,0.399277246,3.809466638,3.244459316,3.072480534,2.686061155,2.141548494,2.018054307,1.760298992,1.207644823,1.727635969,1.116178837,0.933903671,0.484038304,0.135164289,0.2769767,0.570760117,1.207644823,3.681198327,3.12201655,2.868984444,2.470134731,1.76184368,1.610949006,1.296202187,0.646153846,1.867136902,1.270256483,1.146459064,0.71677011,0.253599829,0.137317573,0.103287959,0.646153846,0,0,0,0,0,1,5,1,0,0,0,0,0.102062073,0.102062073,0,0,0,0.102062073,0.102062073,0.288675135,0,0,0,0.288675135,0,0,0,0.40824829,0.433012702,0.40824829,0.40824829,0.433012702,0.40824829,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.5866,32.249,25.81164286,34.91599912,51.62328572,7.374755103,25.81164286,0.063309915,0.009044274,-1.931799329,26.80913824,3.829876892,2.302119966,45,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,1,0,5,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,2.360277778,0,7.437175926,0,0,0,1.03587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.360277778,0,1.486111111,0,0,0,1.03587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.360277778,0,1.490416667,0,0,0,1.03587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.83333333,1.547619048,0.2,2.360277778,0.2,1.03587963,5.044607639,0.297453704,0.360277778,0.720555556,0.297453704,0.360277778,0.720555556,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.14286,0.14286,0,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.62679,0.94668,6.62679,0,0,3.39384,0.48483,3.39384,0,0,0.02016,0.00288,0.10616,0.01517,0.285714286,7,0,0,0,0,0,0,1,0.918295834,1.301240785,2.262362377,2.629481708,2.41566147,2.297079328,19.28421252,27.3260565,47.50960993,55.21911587,50.72889087,48.23866588,0.209068641,0.296253813,0.515072605,0.598654754,0.549974248,0.522976622,3.474021589,3.091076637,2.129955045,1.762835715,1.976655953,2.095238095,0.209068641,0.296253813,0.515072605,0.598654754,0.549974248,0.522976622,6.73287657,11.32821599,14.83801525,14.16113349,13.29390227,13.17439222,27.64912502,22.75804088,20.11514464,21.30613189,22.81194905,22.78031708,5.142857143,2.34375,1.5,0,0,0,2.23,0.9863,0,1.850535862,1,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,3.395,8,8,8,8,2,0,0,0,0,48,2.079441542,2.197224577,2.197224577,2.197224577,2.197224577,1.098612289,0,0,0,0,3.891820298,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,0,3,4,0.333333333,1,0.444444444,0.1875,0.111111111,0,0,0,0,0,0,0.142857143,0.055555556,0.0375,0.111111111,0,0,0,0,0,0,0.34702381,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,0,117.2718924,3.807354922,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,71.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.388905171,98.10955045,4.671883355,13.67682532,1.953832189,0,0,0,42,5,3.922,30,1.220523193,2.086009777,2.795112973,3.520164747,4.282982798,5.172514281,0,0,0,0,78.01718708,81.31531848,56.59167441,30.17524231,13.80076908,5.255605551,0,0,0,0,287.7972294,350.2878403,318.299832,258.2859895,204.3991055,160.781112,0,0,0,0,8.889594735,14.90063589,19.61743961,24.28142782,29.11513643,34.75135099,0,0,0,0,2.16080321,2.850202542,2.892515813,2.695811098,2.474164722,2.2997666,0,0,0,0,174.2909705,318.5132428,451.9308122,601.2064839,764.9113221,956.489196,0,0,0,0,2.257719183,3.318228363,4.028833779,4.510597636,4.884513348,5.172514281,0,0,0,0,0.447249296,0.599087964,0.619984824,0.591387275,0.555805592,0.529665462,0,0,0,0,314.1330854,114.3742458,8.142541554,80.35130448,-29.255498,-4.270193301,233.7817809,143.6297439,12.41273486,0.796313095,0.289933515,0.020640973,0.203686905,-0.074161358,-0.010824746,123.9205985,45.11885459,3.212105537,31.69733532,-11.54083728,-1.684524599,0.081388859,0.171156848,1.42058525,1.421020146,394.4843899,0,1,0,496.6404669,22.28543172,7.919188876,632.2589721,25.14476033,8.582852854,790.8053427,28.1212614,9.247475689,1.427238702,1.217989365,271.952974,197.3815574,114.0262834,1.377803365,2.385002527,1.731018074,3.422933651,3.651473827,5.904977379,0.617149036,3.905229045,4.796804889,7.969768476,9.568090312,15.54889678,6.287160949,7.273722887,3.307207976,4.049061661,0.001465238,0.405380218,4.20E-16,8.41E-53,3.25E-111,2.42E-191,3.47E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.328306635,4.623824884,0.556474761,3.180278409,0.887608374,1.147577891,0.793745194,0.096819953,0.106819862,1.03E-05,0.002855126,2.96E-18,5.92E-55,2.29E-113,1.70E-193,2.44E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.058432573,4.635384542,1.846003496,3.788619827,3.120744162,2.047871652,1.332886012,0.431635473,0.498351173,1.08E-04,0.029752614,3.09E-17,6.17E-54,2.38E-112,1.77E-192,2.54E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.686252354,4.777813479,7.436800468,8.930971495,14.38264108,5.919877179,6.599825449,2.997290473,3.661556605,0.001305501,0.361186476,3.75E-16,7.49E-53,2.89E-111,2.15E-191,3.09E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559641195,4.650371529,2.797640528,4.412749493,4.879246726,2.710078294,1.935644696,0.756636873,0.889802172,2.34E-04,0.064626654,6.70E-17,1.34E-53,5.17E-112,3.85E-192,5.53E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.716001246,4.876661026,10.03295697,12.20643893,20.17210776,7.706818676,10.08359911,4.583427298,5.649776527,0.002136912,0.59120895,6.13E-16,1.23E-52,4.73E-111,3.52E-191,5.06E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.601157949,4.481400369,4.760347268,6.279492012,8.680432559,4.333192323,3.937932429,1.739735242,2.084171635,6.12E-04,0.169252238,1.76E-16,3.51E-53,1.35E-111,1.01E-191,1.45E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.492100299,1.499463431,0.652442375,0.536627266,0.322881451,0.490173101,0.510450923,0.426935834,4.644006105,6.341078585,13.42314001,0.304940899,1.427559857,1.814781084,0.961300188,0.201585061,0.609464218,0.322836772,0.259632649,0.209085157,0.040822809,2.977666333,2.30416591,5.633507339,0.414196327,0.509540615,2.083545391,1.17518317,0.380753843,0.572483985,0.322898434,0.342319875,0.312954545,0.145579104,3.639482403,3.689320898,8.261097161,0.358725978,0.800853524,2.475309084,1.486152987,0.641290156,0.537788906,0.322883552,0.483568015,0.501394605,0.412490795,4.602752227,6.219134619,13.18099324,0.306683359,1.397453415,2.203455229,1.270454847,0.460570989,0.560037065,0.322902773,0.382937441,0.365972608,0.212949252,3.934481065,4.399372577,9.623171637,0.340055598,0.961859301,2.544675452,1.541131368,0.687354163,0.533121649,0.322874375,0.511147934,0.539327428,0.473754233,4.773160982,6.730075484,14.19881896,0.299682473,1.524229594,2.485740309,1.48801285,0.643571906,0.538350728,0.322267293,0.487582727,0.502657118,0.415300208,4.617325064,6.256209415,13.25398695,0.307526092,1.405540053 +UMLS0054,L,Methylcyclohexane,CC1CCCCC1,7962,[9] has RON of 73.8,"Sandia, UML",[9],C7H14,PubChem,,2.85,0,-1.0582,1.11978724,23.1792,18.02993,0,0,17,7,10,0,6,0,1,0,0,0,0,0,0,0,1131.713367,1178.819595,1497.134784,1140.027093,393.999861,40.382496,0,0,0,3068.329632,3991.197076,5596.711464,4996.13647,2275.490099,412.6972167,0,0,0,125.779452,126.4533,241.255824,330.422052,226.5903,72.690048,0,0,0,21.82273305,29.2081831,43.90603072,42.56914462,21.72766152,4.626439211,0,0,0,2795.393943,2445.334942,5054.492008,7448.940219,5383.988345,1849.70977,0,0,0,73.02777778,40.66666667,70.66666667,102.6666667,69.83333333,22,0,0,0,66.57137453,69.34232912,45.36772073,25.3339354,12.70967294,4.0382496,0,0,0,180.4899783,234.7762986,169.5973171,111.0252549,73.40290643,41.26972167,0,0,0,7.398791294,7.438429412,7.310782545,7.342712267,7.309364516,7.2690048,0,0,0,1.283690179,1.718128418,1.33048578,0.945980992,0.700892307,0.462643921,0,0,0,164.4349378,143.8432319,153.1664245,165.5320049,173.6770434,184.970977,0,0,0,4.295751634,2.392156863,2.141414141,2.281481481,2.252688172,2.2,0,0,0,0.123334468,-0.040764581,-0.007829247,-0.004284787,-3.18E-04,-0.008470167,0,0,0,565.0991891,3.34E-13,-119.9209141,-181.7805977,-65.05147217,84.20338949,0,0,0,855.8123209,-1.56E-13,-334.5568135,-289.6768837,-37.33973879,233.6672756,0,0,0,1.038128471,4.94E-16,0.059946145,-0.235750422,-0.231604152,-0.111655806,0,0,0,3.828753554,6.11E-16,-1.811359666,-1.274544484,-0.041206844,1.212734218,0,0,0,21.25720683,4.71E-14,-10.35895071,-6.985079633,-0.107861082,6.82328801,0,0,0,32.75163399,0.903594771,1.085063437,-7.492887351,-7.308535179,-3.563052672,0,0,0,0.007254969,-0.002397917,-2.37E-04,-9.52E-05,-1.03E-05,-8.47E-04,0,0,0,33.24112877,1.96E-14,-3.633967094,-4.039568839,-2.098434586,8.420338949,0,0,0,50.34190123,-9.20E-15,-10.13808526,-6.437264083,-1.204507703,23.36672756,0,0,0,0.061066381,2.91E-17,0.00181655,-0.005238898,-0.007471102,-0.011165581,0,0,0,0.225220797,3.59E-17,-0.054889687,-0.028323211,-0.001329253,0.121273422,0,0,0,1.250423931,2.77E-15,-0.313907597,-0.155223992,-0.00347939,0.682328801,0,0,0,1.926566705,0.053152634,0.03288071,-0.166508608,-0.235759199,-0.356305267,0,0,0,-0.33052059,-0.032701713,-0.013124453,-0.001415945,-0.116749876,0,0,0,5.91E-16,-0.109321411,-0.121523215,-0.063127657,0.253310861,0,0,0,-1.83E-16,-0.201384632,-0.127870897,-0.023926544,0.464160609,0,0,0,4.76E-16,0.029747135,-0.085790221,-0.122343941,-0.182843334,0,0,0,1.59E-16,-0.243715001,-0.125757528,-0.005902,0.538464579,0,0,0,2.21E-15,-0.251040939,-0.124137093,-0.002782568,0.545677977,0,0,0,0.027589304,0.017066998,-0.086427637,-0.122372716,-0.184943125,0,0,0,0.997416828,0.727708198,1.030324585,1.124651488,1.380074093,0,0,0,1.021425459,1.052377745,1.054540153,0.970647551,0.636292064,0,0,0,1.256857651,1.294944246,1.018963733,0.789896384,0.156010393,0,0,0,0.481238863,0.495821859,1.13616835,1.385371454,1.73827272,0,0,0,1.329588515,1.369879076,1.007973291,0.73405785,0.007639429,0,0,0,1.333319149,1.37372276,1.007409551,0.731193686,2.89E-05,0,0,0,0.445420076,0.490992544,1.14155081,1.395755145,1.75869088,0,0,0,21.80340357,11.02670178,16.34240115,21.981975,3.140282142,11.02676795,0.25,0.10458354,0.014940506,-1.580438369,23.46090794,3.351558276,2.208734881,21.80522313,11.02724435,16.3432566,21.98326997,3.140467139,11.02731048,0.249265579,0.104534598,0.014933514,-1.580766024,23.46326972,3.351895674,2.208805345,23.42348259,11.51224405,17.16176273,23.36648338,3.338069054,11.51228109,-0.398994478,0.056286734,0.008040962,-2.014107481,26.55099267,3.792998953,2.295346995,21.80713281,11.0278138,16.34415456,21.98462909,3.140661299,11.02787988,0.2484948,0.10448322,0.014926174,-1.581110156,23.46575047,3.352250066,2.208879352,25.150007,12.03385637,18.18500505,24.99539353,3.570770505,12.03387743,-1.082294264,0.004141584,5.92E-04,-3.840673911,34.26687858,4.895268368,2.473925474,21.99403025,11.08358222,16.43274715,22.11769753,3.159671075,11.08364375,0.173134186,0.099392107,0.014198872,-1.616077801,23.71875375,3.388393393,2.216386223,21.612053,10.66522993,15.847944,21.65813779,3.094019684,10.66534547,0.772486772,0.162326877,0.023189554,-1.27270025,21.31516511,3.045023588,2.141593158,0,11.9,15.99491614,-0.299189275,0.132702954,4.199872577,6.782358849,7,17,16,16,6,1,1,0,0,1,11.89007,3.64959247,2.939260656,2.750129472,1.818050546,1.456797487,1.156417679,0.083923071,0.083923071,1.944351963,1.372874417,1.280702177,0.666206401,0.57012495,0.184344076,0.083923071,0.083923071,3.630350399,2.868845624,2.792995694,1.690088443,1.556142907,1.237330611,0.270913902,0.270913902,1.909960999,1.285229005,1.259112722,0.522081792,0.464836966,0.265163579,0.270913902,0.270913902,3.755273729,3.068358397,2.981537655,2.094646719,1.9628467,1.730552591,0.943918427,0.943918427,1.744271951,1.018928274,1.009295574,0.037619229,0.004763632,0.262390518,0.943918427,0.943918427,3.636843952,2.862451789,2.824624264,1.67775845,1.62787375,1.2984514,0.399277246,0.399277246,1.889994059,1.250198548,1.228596505,0.434477952,0.425347018,0.222763775,0.399277246,0.399277246,3.793504729,3.10578987,3.072480534,2.172636448,2.141548494,1.909179634,1.207644823,1.207644823,1.704340188,0.96530754,0.933903671,0.103341467,0.135164289,0.417516121,1.207644823,1.207644823,5.225306457,3.505131845,2.880364017,2.538845467,1.771846324,1.574921685,0.654545455,0.654545455,1.769525481,1.135482688,0.971350588,0.244000381,0.10781929,0.586308088,0.654545455,0.654545455,0,0,0,1,0,0,5,0,0,0,0,0,0.102062073,0.102062073,0,0,0,0.088388348,0.036084392,0.288675135,0,0,0,0.102062073,0,0,0,0.40824829,0.433012702,0.40824829,0.144337567,0.153093109,0.144337567,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,4.443782196,2.911230926,2.099335306,1.411230926,0.946114263,0.632392159,0.072168784,0,0.634826028,0.415890132,0.262416913,0.176403866,0.118264283,0.07904902,0.036084392,0,9.423938123,16.76984705,15.97647059,16.2,10.47301198,130.038491,0.554349301,0.986461591,0.939792388,0.952941176,0.616059528,7.649323001,1.5196,28.092,25.81164286,34.91599912,51.62328572,7.374755103,25.81164286,0.063309915,0.009044274,-1.931799329,26.80913824,3.829876892,2.302119966,45,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,2,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46305556,0.46412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.680208333,0.802777778,0,0,0,0,0,0,0,0,0,0,0,0,5.239490741,0,0,0,0,0,0,0.46412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46305556,0.46412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.265625,0.401388889,0,0,0,0,0,0,0,0,0,0,0,0,0.847222222,0,0,0,0,0,0,0.46412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46305556,0.46412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,0,0,1.269583333,0,0,0,0,0,0,0.46412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.16666667,2.30952381,0.515972222,10.46305556,0.265625,0.46412037,2.459993565,1.202546296,3.463055556,6.926111111,1.202546296,3.463055556,6.926111111,3.33333,0.47619,0,0.02381,0.5098,0.80952,0.43333,0.5098,0.80952,0.07647,0,-0.07647,0,0.58823,0.12606,0,0.1,0.15,0,5.25,0.75,3.75,0.53571,1.5,0.21429,-2.25,-0.32143,0,0,4.93047,0.70435,6.62679,1.69632,0.24233,2.70568,0.38653,3.39384,0.68816,0.09831,0.02016,0.00288,0.10616,0.01517,0.352941176,7.01,1,1,1,1,0,0,0.833333333,1.221047785,1.736041168,2.351593723,2.793345194,2.793345194,2.793345194,20.75781235,29.51269985,39.9770933,47.4868683,47.4868683,47.4868683,0.298730003,0.424723413,0.575318679,0.683393416,0.683393416,0.683393416,2.866415056,2.351421674,1.735869118,1.294117647,1.294117647,1.294117647,0.292822481,0.416324314,0.563941491,0.669879001,0.669879001,0.669879001,10.66317026,16.84309085,17.95156927,19.68997452,19.68997452,19.68997452,25.51725005,20.17718123,20.14626147,18.18212562,18.18212562,18.18212562,5.142857143,2.34375,1.5,0,1,0,2.01,0.8611,0,0,0,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.405,0.403,0.748,0.387,3.744,8,8,8,8,2,0,0,0,0,48,2.197224577,2.397895273,2.397895273,2.397895273,2.397895273,1.609437912,0,0,0,0,4.094344562,1.229166667,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,4,0.333333333,1,0.444444444,0.1875,0.111111111,0,0,0,0,0,0,0.142857143,0.055555556,0.0375,0.111111111,0,0,0,0,0,0,0.34702381,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,17.07,106.1296758,3.807354922,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,71.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.388905171,98.07316494,5.769009702,13.67682532,1.953832189,2.490696528,2.490696528,0,42,5,0.92,30,1.244469826,2.108728606,2.835007835,3.69531369,4.235300316,0,0,0,0,0,97.23481765,109.2384471,79.58539365,49.30817641,18.38643678,0,0,0,0,0,314.2360242,383.8965952,332.6772451,271.5598255,179.1146884,0,0,0,0,0,9.327083054,15.55629475,21.03621884,27.2106947,31.02018104,0,0,0,0,0,2.24593432,2.930335346,2.775905952,2.556114321,1.967092016,0,0,0,0,0,177.3715286,320.2171327,464.9822948,643.8436488,783.4302793,0,0,0,0,0,3.184182068,4.891493168,6.997292054,8.811029077,9.827187433,0,0,0,0,0,0.481592218,0.647595966,0.652469848,0.637322235,0.529129626,0,0,0,0,0,330.4970852,146.8462535,12.87381503,82.19477305,-36.52072898,-18.7240795,248.3023122,183.3669825,31.59789453,0.800832579,0.355825419,0.03119474,0.199167421,-0.088493941,-0.045370606,136.3934563,60.60225323,5.312918648,33.92111363,-15.07180751,-7.727275163,0.298523557,0.6733234,11.46294737,39.6740805,353.7690873,58.92277097,0.857223326,0.142776674,519.8922311,22.80114539,8.040895954,616.7625919,24.83470539,8.512151441,821.9518489,28.66970263,9.367322207,1.198765869,1.194066499,277.2006654,205.1668402,115.8982408,1.351098769,2.391759041,1.770232566,3.466100759,3.651473827,5.07237696,0.389131403,2.789625488,4.674753343,4.307000761,5.781813473,10.73638139,3.328258708,5.834289293,1.848391192,0.592289302,1.14E-08,4.26E-38,3.06E-89,4.24E-162,1.13E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234681862,5.006156464,0.341342538,2.450022236,0.704119056,0.646078724,1.196135099,0.159578794,0.066205713,1.28E-09,4.76E-39,3.42E-90,4.75E-163,1.27E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.756200326,4.388969183,1.115144318,2.564541622,2.327675698,0.953483543,0.989990403,0.303923386,0.114690384,2.22E-09,8.25E-39,5.93E-90,8.22E-163,2.20E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.63321367,5.005347684,4.051605865,5.479494158,10.09874659,3.323104414,5.588032898,2.157673238,0.743919572,1.44E-08,5.35E-38,3.85E-89,5.33E-162,1.43E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.114206401,4.154464122,1.656927214,2.814069302,3.536119929,1.221442823,1.211749697,0.339906329,0.113569137,2.19E-09,8.17E-39,5.87E-90,8.14E-163,2.18E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368748049,4.884427031,5.266942327,7.384348871,13.76876263,4.167517057,8.290138555,2.698647121,0.865043653,1.67E-08,6.22E-38,4.47E-89,6.20E-162,1.66E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.79293704,8.732162909,2.738586654,4.545918409,7.260053681,3.884357929,6.090160407,4.38869328,1.776155336,3.43E-08,1.28E-37,9.19E-89,1.27E-161,3.40E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.787289878,1.595364986,0.622428723,0.446255325,0.398335004,0.596067044,0.446750014,0.443072424,4.005083587,4.956841239,10.73670545,0.266885493,1.485889482,2.123796315,0.958180652,0.227479524,0.641735681,0.289528101,0.696587503,0.17003525,0.042135112,3.309456491,2.73606719,6.508440084,0.462603522,0.908757865,1.570064619,1.315057189,0.372690583,0.481938316,0.403662652,0.402563057,0.320585597,0.140275454,3.257812391,3.139982494,7.167298361,0.328401452,0.863424109,1.751395163,1.698358497,0.619397166,0.430408023,0.417374182,0.581902146,0.546041475,0.409130187,4.069150826,5.111264497,11.02281025,0.271673307,1.537073808,1.496600172,1.399214108,0.430612034,0.449912318,0.420635834,0.424093792,0.350202192,0.210683487,3.326426314,3.341036551,7.569192055,0.305822228,0.984979472,1.839896656,1.640397556,0.659242626,0.444469207,0.396275627,0.631356503,0.470608339,0.495537376,4.139536838,5.312520274,11.44175814,0.261117251,1.597502219,1.776339348,1.706583839,0.623062414,0.432621914,0.415633177,0.551188084,0.552178809,0.406084889,4.105985601,5.201550552,11.19633243,0.272382636,1.509451782 +UMLS0055,L,cyclohexanone,C1CCC(=O)CC1,7967,,UML,[1],C6H10O,PubChem,,12.4,0,-0.8061,0.64979721,36.0853,26.352688,0,0,26,10,16,0,8,0,2,0,0,0,0,0,0,0,1682.305994,1635.790101,1887.781373,1684.787512,1516.220511,1077.848905,859.052256,520.633346,281.592025,4318.256679,5285.075779,6501.791035,6208.33636,5241.230299,4357.150654,3821.763286,3134.559747,2068.222976,194.522984,189.22686,344.824556,416.48512,345.6687,282.739756,219.227592,237.19988,186.21226,30.71141448,38.56812896,51.29106537,50.43607521,40.70563071,33.95895999,32.14918817,28.99630497,21.03814958,4343.939853,3670.756885,7358.856922,9425.885906,7577.628696,6077.949794,4833.39693,5541.704339,4616.702266,99.27777778,65,115.0833333,124.25,126.3333333,102.6666667,69.75,64,37,64.70407669,65.43160404,41.0387255,30.08549129,33.69378913,29.94024736,28.6350752,15.77676806,10.42933426,166.0867953,211.4030311,141.3432834,110.8631493,116.4717844,121.0319626,127.3921095,94.98665899,76.60085098,7.481653231,7.5690744,7.496186,7.437234286,7.681526667,7.853882111,7.3075864,7.187875152,6.89675037,1.181208249,1.542725158,1.11502316,0.9006442,0.904569571,0.943304444,1.071639606,0.878675908,0.779190725,167.0746097,146.8302754,159.9751505,168.3193912,168.3917488,168.8319387,161.113231,167.9304345,170.9889728,3.818376068,2.6,2.501811594,2.21875,2.807407407,2.851851852,2.325,1.939393939,1.37037037,0.274242812,-0.163408196,0.046194028,-0.00507897,0.022908396,-0.056575056,0.024013359,-0.010582561,0.002273876,882.3953095,-16.00761486,-51.54279203,119.0603807,-65.04631882,-374.5196223,-206.5850969,-181.101738,77.98788379,1232.223078,-150.640033,-371.3571158,153.005406,-1.680601226,-43.33796371,-320.1630339,-198.3996476,31.35458867,2.012233846,0.022008994,0.808429041,-0.285068592,-0.646946272,-1.16443271,-0.133907976,-0.171800189,0.235024852,5.44084932,-1.061852848,-2.005132993,0.235215341,-0.056804927,1.226905841,-1.282524686,-0.518639658,-0.085891934,30.33541873,-6.445201195,-11.10342427,0.329963873,-0.706699619,8.65206048,-6.748398753,-2.230235826,-0.76023225,38.76068376,-0.387409599,10.59648258,-4.764464168,-7.688362919,-17.97633136,-1.544378698,-5.651380671,3.729289941,0.0105478,-0.006536328,0.001004218,-9.07E-05,5.09E-04,-0.001571529,8.00E-04,-3.21E-04,8.42E-05,33.93828114,-0.640304595,-1.120495479,2.126078227,-1.445473751,-10.40332284,-6.886169895,-5.487931453,2.88844014,47.39319532,-6.02560132,-8.072980778,2.732239392,-0.037346694,-1.203832325,-10.67210113,-6.012110533,1.161281062,0.077393609,8.80E-04,0.017574544,-0.005090511,-0.014376584,-0.032345353,-0.004463599,-0.005206066,0.008704624,0.209263435,-0.042474114,-0.043589848,0.004200274,-0.001262332,0.034080718,-0.042750823,-0.015716353,-0.003181183,1.166746874,-0.257808048,-0.241378788,0.005892212,-0.015704436,0.240335013,-0.224946625,-0.067582904,-0.02815675,1.490795529,-0.015496384,0.230358317,-0.085079717,-0.170852509,-0.499342538,-0.05147929,-0.17125396,0.13812185,-0.619686337,0.095206391,-0.00859856,0.048263662,-0.148991189,0.075887415,-0.030402895,0.007984379,-0.018866736,-0.033015681,0.06264543,-0.042591248,-0.306536527,-0.20290273,-0.161703282,0.085108616,-0.127140643,-0.170340504,0.057650457,-7.88E-04,-0.025400953,-0.22518214,-0.126855986,0.024503118,0.011375096,0.227080046,-0.065774301,-0.185759314,-0.417933125,-0.057674002,-0.067267393,0.112472131,-0.202969591,-0.20830131,0.020071705,-0.006032261,0.162860357,-0.204291891,-0.075103198,-0.015201809,-0.220963136,-0.206881881,0.00505012,-0.01346002,0.205987278,-0.192798138,-0.057924221,-0.024132698,-0.010394708,0.154520397,-0.057070011,-0.114604925,-0.334950386,-0.034531422,-0.114874211,0.092649761,1.62911742,0.941838622,1.171292811,1.522462225,1.819909201,0.704768405,0.454131341,0.113713658,1.12464819,1.047900149,0.908440736,1.119547778,1.45539579,1.134421852,1.016995214,0.635192386,1.503536455,1.251118583,0.849722159,0.892054513,0.902739079,1.286084029,1.045820315,0.845834299,0.708875861,0.715496191,1.163841585,1.746626023,2.32396297,0.716369688,0.699425456,0.054564382,1.687517838,1.321076151,0.871344181,0.880677631,0.703191194,1.293668616,0.984749246,0.856368448,1.716599977,1.324714486,0.887713759,0.90447805,0.689425367,1.27780167,0.955702664,0.834331024,0.578335171,0.511390873,1.002987675,1.682331863,2.248484013,1.113492282,1.12383482,0.06569276,55.25501015,27.87750507,42.99146345,55.65501015,5.565501015,27.87750507,0.5,0.079034463,0.007903446,-2.53787128,94.76889079,9.476889079,4.551441199,55.27133787,27.88493451,43.00447293,55.6701628,5.56701628,27.88493451,0.498531158,0.079064363,0.007906436,-2.537493036,94.77096179,9.477096179,4.551463052,69.79556021,34.49878563,54.82005935,69.15716905,6.915716905,34.49878563,-0.797988956,0.093702787,0.009370279,-2.367627347,204.8537854,20.48537854,5.322296482,55.28847428,27.89273194,43.01812764,55.68606596,5.568606596,27.89273194,0.4969896,0.079095694,0.007909569,-2.537096848,94.77327558,9.477327558,4.551487466,85.27613614,41.55577381,67.71102509,83.54446532,8.354446532,41.55577381,-2.164588529,0.097919015,0.009791902,-2.323614518,70.59926183,7.059926183,4.257019689,56.96572591,28.65599714,44.35883959,57.2427406,5.72427406,28.65599714,0.346268372,0.081927551,0.008192755,-2.50191995,95.70107875,9.570107875,4.561229571,54.22310941,27.35372485,41.94365978,54.8950789,5.48950789,27.35372485,1.175198413,0.092514181,0.009251418,-2.380393337,74.66464822,7.466464822,4.31300673,0,11.89,15.99591866,-0.315652179,0.261472884,4.154010431,6.741478624,9,25,24,24,8,1,1,0,0,1,20.365312,3.554249029,3.314732608,2.984982004,2.665420614,2.100900782,1.925738787,1.332145321,1.332127511,1.831288111,1.77794217,1.419247498,1.268158369,0.908036702,0.726652833,0.583210038,0.390376382,3.468236664,3.336633169,2.919893468,2.665042099,2.093305616,1.903348769,1.415345389,1.368906206,1.803737387,1.716091857,1.396610332,1.20720167,0.829147556,0.669656722,0.442409734,0.383568302,3.6467059,3.487049666,3.16335971,2.902308824,2.433171806,2.263798912,1.86767144,1.832644501,1.592722036,1.506118296,1.097203463,0.902466834,0.41509447,0.247450016,0.075459898,0.131327864,3.4626387,3.357679435,2.911451684,2.687240546,2.113792314,1.932909277,1.483515699,1.433827396,1.797040892,1.675993297,1.384361486,1.164934785,0.779456823,0.625336036,0.349399773,0.310701282,3.673805731,3.553290217,3.214569521,2.987293453,2.543144088,2.37950077,2.048723173,2.008159492,1.552498639,1.443557806,1.042854904,0.819306881,0.306448376,0.133408906,0.25352181,0.299416811,4.959411175,3.497563166,3.328687141,3.108986561,2.571290744,2.369192857,1.815799003,1.659901479,1.665429834,1.593056239,1.121205564,0.93495946,0.547926195,0.317989446,0.177263718,0.217275931,0,0,1,0,0,3,4,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.40824829,0.49279928,0.348461713,0.083333333,0.100592232,0.071129449,7.819990956,4.808060412,3.389628766,2.08195123,1.379936127,0.637136847,0.420630496,0.144337567,0.781999096,0.534228935,0.376625418,0.260243904,0.197133732,0.127427369,0.105157624,0.072168784,6.852030487,3.964690378,2.324023571,1.215064813,0.60663473,0.275862422,0.167609247,0.072168784,0.685203049,0.440521153,0.258224841,0.151883102,0.086662104,0.055172484,0.041902312,0.036084392,13.76422064,25.76402039,24.50196078,24.88,15.34891497,200.5350826,0.529393102,0.990923861,0.942383107,0.956923077,0.590342883,7.712887794,2.1298,40.775,31.26412072,48.34375653,62.52824143,6.252824143,31.26412072,0.070144679,0.007014468,-2.65719533,225.9137237,22.59137237,5.420153173,107,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,1,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.57954082,-0.059305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.698843537,0.5125,0,0,0,0,0,0,0,0,0,0,4.05033494,0,4.096096466,0,0,0,0,0,0,-0.059305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.69565193,4.883888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.883888889,-0.059305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272454649,0.5125,0,0,0,0,0,0,0,0,0,0,1.973294359,0,0.559240363,0,0,0,0,0,0,-0.059305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.69565193,4.883888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.69565193,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,2.07704058,0,1.082743056,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.69565193,4.883888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.66666667,2.366666667,0.555902778,10.69565193,0.163055556,-0.059305556,3.732425274,1.725972222,3.695651927,10.31316279,1.725972222,3.695651927,10.31316279,4.66666,0.46667,0,0.03333,0.51282,0.85333,0.425,0.51282,0.85333,0.08782,0,-0.08782,0,0.54687,0.16742,0,0.28571,0.10714,0,6.75,0.675,5.25,0.525,1.5,0.15,-3.75,-0.375,0,0,8.33387,0.83339,11.45959,3.12572,0.31257,3.75049,0.37505,4.80805,1.05757,0.10576,0.10595,0.01059,0.10595,0.01059,0,9.02,2,2,2,2,0,0,0.875,1.238901257,1.979097891,3.276610872,3.642371449,3.719294526,3.411602218,32.21143267,51.45654517,85.19188266,94.70165767,96.70165767,88.70165767,0.263571353,0.421045266,0.697086032,0.774900151,0.791265232,0.725804908,3.461538462,2.721341827,1.423828846,1.058068269,0.981145192,1.2888375,0.263571353,0.421045266,0.697086032,0.774900151,0.791265232,0.725804908,11.26589917,20.45555991,23.7734781,24.14210077,24.21962577,20.52731808,36.56521118,22.92976312,19.81351138,18.59228434,18.3432431,23.97523001,10,7.111111111,7,10,3,4,2.12,1.3102,0.125,3.144379939,0.516397779,0,3.838519496,2.305269779,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,4.356,9,8,7,5,4,2,1,0,0,55,2.397895273,2.48490665,2.397895273,2.302585093,1.945910149,1.791759469,1.098612289,0.693147181,0,0,4.17438727,1.163636364,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0.666666667,8,0.888888889,0,4,8,1,1.5,0.666666667,0.375,0.16,0.111111111,0.040816327,0.03125,0,0,0,0.166666667,0.074074074,0.046875,0.022857143,0.022222222,0.010204082,0.015625,0,0,0,0.358524187,31.26412072,48.34375653,62.52824143,6.252824143,31.26412072,0.070144679,0.007014468,-2.65719533,225.9137237,22.59137237,5.420153173,26.3,161.8683304,4.321928095,3.610917913,4.262679877,4.96284463,5.638354669,6.350885717,7.03438793,7.751475318,8.43793351,9.156834104,76.20631367,2.944438979,0,4.007333185,0,5.231108617,0,6.532334292,0,7.874358825,8.183955717,144.1150298,5.54288576,18.65329825,1.865329825,5.393276528,5.393276528,0,150,8,2.413,36,1.2352,2.121667401,2.853248792,3.639885096,4.890343179,5.863531322,6.985406628,8.011018422,9.299230482,10.26805076,91.62129167,95.83301524,98.10363539,147.5333884,163.6352115,190.1133374,124.1382252,94.99833666,46.21954804,10.43299673,284.102958,319.6768094,343.1569286,480.0007918,638.3315949,814.8858996,709.4094904,659.1126694,566.395778,319.1694656,9.406569307,16.00199017,21.30978169,28.13869696,38.54313716,42.88965536,50.26798486,55.40449053,63.79993795,68.98552937,2.0225454,2.474236991,2.711971215,3.610520414,4.883718602,6.729821358,6.443217414,6.558469903,6.352318206,4.565307875,179.5630998,336.2364244,476.8901538,602.0580485,819.3674161,930.1474027,1163.145103,1357.926832,1614.179083,1898.743837,3.300023333,5.534151722,6.492588332,10.48887459,14.05661621,13.73732604,13.64849563,11.33264022,12.61460828,10.26805076,0.4520484,0.576670277,0.651823639,0.901438477,1.196163192,1.500052084,1.441463383,1.428867774,1.408437186,1.051448398,427.2275084,359.4797096,14.05928515,181.3716788,-152.6105814,-19.13716359,245.8558296,512.090291,33.19644874,0.701985013,0.590667417,0.023101058,0.298014987,-0.250757123,-0.031444609,260.0103144,218.7790591,8.556469516,110.3826563,-92.87867578,-11.64686221,0.310710899,0.375089497,2.345145302,3.461007857,562.519607,46.07958023,0.924285833,0.075714167,710.1477289,26.64859713,8.921740098,865.1403062,29.41326752,9.52859457,1215.071566,34.85787667,10.67088942,2.517026005,2.517026005,1355.361688,1286.073104,92.67644659,1.053876085,14.6246618,13.87702217,4.873193239,5.518792456,10.96548272,0.986935151,4.475634913,6.190062996,3.842323017,20.24211751,5.699531194,1.709378287,7.48250005,9.778443828,5.175867088,3.436037114,6.095683591,4.636826748,1.998165879,1.399844578,3.32286869,6.439622025,4.175908829,0.419541747,3.880724899,0.010969386,1.833488228,7.81E-13,6.63E-47,1.09E-102,3.43E-180,2.09E-279,0,0,0,0,0.392116545,6.340943917,0.340587896,7.018833213,0.103034587,1.688961535,1.897391013,0.701675188,0.322547977,0.384107585,3.970275188,0.120625693,0.476325947,0.012592274,0.026274817,1.63020073,0.222884513,0.270931216,0.027754407,9.11E-04,0.012913408,5.50E-15,4.67E-49,7.65E-105,2.42E-182,1.47E-281,0,0,0,0,1.218382569,6.059867195,0.818766825,7.136717717,0.464293613,1.514826575,2.041991552,1.703639076,0.625816063,0.665385202,4.402653745,0.505231823,0.646692782,0.109710059,0.2512574,2.128687205,0.803558267,0.293122246,0.285907195,0.002948219,0.134567662,5.73E-14,4.87E-48,7.97E-104,2.52E-181,1.53E-280,0,0,0,0,4.229749369,6.340617585,4.109772574,20.40739645,5.140206453,1.794092408,8.263350059,9.52074272,4.80389985,4.315790158,5.965427313,4.284558468,1.897365883,1.249099664,2.96259343,5.974245844,3.853877386,0.407562999,3.457946468,0.010347897,1.633605001,6.96E-13,5.91E-47,9.68E-103,3.06E-180,1.86E-279,0,0,0,0,1.788089992,5.953072815,1.076955428,7.816796681,0.934536895,1.455905551,2.212811755,2.500032865,1.020553938,0.658855697,4.69992176,0.900517555,0.794648104,0.231620465,0.538698354,2.614360251,1.269342823,0.310773681,0.619990323,0.00435124,0.292298945,1.25E-13,1.06E-47,1.73E-103,5.47E-181,3.33E-280,0,0,0,0,5.405000361,6.285574082,5.177814404,26.55507224,8.292540869,1.825548632,10.06678216,13.40633422,7.367555481,5.018362544,6.579457895,6.605766094,2.594008714,2.032716906,4.836725411,8.356797871,5.459114515,0.467164722,5.658296703,0.013277009,2.673970266,1.14E-12,9.67E-47,1.58E-102,5.00E-180,3.05E-279,0,0,0,0,2.836919372,6.278774352,3.336163596,20.53384294,2.50459926,1.752765367,9.350190247,7.741291498,3.030041775,4.439705696,5.135541416,2.580490415,1.418678828,0.523323332,1.233603317,3.990559068,2.006160478,0.481403471,1.43467914,0.008055174,0.676871796,2.88E-13,2.45E-47,4.01E-103,1.27E-180,7.71E-280,0,0,0,0,12.25039495,0.827228794,0.446274473,0.905833123,0.061167925,0.603820929,0.522155592,0.538444491,13.52389822,15.97008909,34.01647901,0.858749684,1.664421012,8.867018707,0.587104589,0.081101428,0.929922363,0.061572182,0.316648712,0.259489698,0.017782542,9.535224724,5.972610275,15.93003828,0.894883544,0.593920953,10.82740586,0.60996387,0.228378418,0.928136432,0.052286734,0.471707224,0.284070582,0.141009043,11.66574815,9.216374786,22.39040855,0.892204648,0.896786849,11.87345161,0.836645648,0.425105011,0.903941284,0.063694919,0.567230545,0.534437117,0.48857281,13.13520227,15.33699765,32.69513852,0.855911927,1.590240471,11.63047688,0.64207198,0.30183686,0.924934,0.051061896,0.544252485,0.314695733,0.246309632,12.57438572,11.17191093,26.00029459,0.887401,1.10525785,12.33772323,0.86159821,0.471148428,0.902509083,0.063026232,0.612460785,0.566429488,0.600139675,13.67046986,16.84899979,35.52785294,0.853763625,1.779029949,11.9731283,0.849409898,0.428294123,0.903575565,0.064102381,0.576795196,0.550903718,0.495930795,13.25083232,15.66191144,33.26853512,0.855363347,1.623629709 +UMLS0056,L,"Butanoic Acid, butyl ester",CCCCOC(=O)CCC,7983,Co optima database valuese measured by NREL,Sandia,,C8H16O2,PubChem,,6.3,0,-0.7614,0.57972996,20.5322,16.801516,0,0,17,5,12,0,5,0,0,0,0,0,0,0,0,0,733.513373,722.34154,659.864523,478.348754,281.592025,84.835296,9.144576,0,0,2490.589442,3070.907003,3615.5635,3075.021321,2068.222976,1061.424631,279.7536999,0,0,118.324148,115.573648,211.2051,249.09716,186.21226,123.32736,60.466176,0,0,19.27985486,24.51813172,32.41201372,30.05967844,21.03814958,12.01662072,4.001516144,0,0,2852.983605,2344.647997,4800.847795,6095.657421,4616.702266,3137.747111,1664.258868,0,0,26.75,31.5,46.25,49,37,24,9,0,0,43.14784547,45.14634625,21.9954841,13.28746539,10.42933426,4.713072,1.016064,0,0,146.5052613,191.9316877,120.5187833,85.41725893,76.60085098,58.96803508,31.08374443,0,0,6.960244,7.223353,7.04017,6.919365556,6.89675037,6.85152,6.718464,0,0,1.134109109,1.532383233,1.080400457,0.834991068,0.779190725,0.66759004,0.444612905,0,0,167.822565,146.5404998,160.0282598,169.3238172,170.9889728,174.3192839,184.917652,0,0,1.573529412,1.96875,1.541666667,1.361111111,1.37037037,1.333333333,1,0,0,0.024802919,-0.004412371,-0.010659831,-5.80E-05,-2.30E-04,-0.001768141,0.004726855,0,0,427.2917965,-60.32354774,-177.2004215,-21.78350335,-23.45915745,-25.13481156,94.25554334,0,0,794.5673416,-112.1742129,-329.5117505,-40.50735467,-43.62330503,-46.73925539,175.2722077,0,0,0.083703529,-0.011816969,-0.034712346,-0.004267239,-0.004595488,-0.004923737,0.018464014,0,0,3.552085711,-0.501470924,-1.473070839,-0.181086723,-0.19501647,-0.208946218,0.783548319,0,0,19.29498596,-2.723998018,-8.001744177,-0.983665951,-1.059332562,-1.134999174,4.256246903,0,0,2.029411765,-0.704152249,-0.566608997,0.055363322,0.291522491,-0.472318339,0.381487889,0,0,0.001458995,-2.76E-04,-3.55E-04,-1.61E-06,-8.52E-06,-9.82E-05,5.25E-04,0,0,25.13481156,-3.770221734,-5.906680716,-0.605097315,-0.868857683,-1.39637842,10.47283815,0,0,46.73925539,-7.010888308,-10.98372502,-1.125204296,-1.615677964,-2.596625299,19.47468974,0,0,0.004923737,-7.39E-04,-0.001157078,-1.19E-04,-1.70E-04,-2.74E-04,0.002051557,0,0,0.208946218,-0.031341933,-0.049102361,-0.005030187,-0.007222832,-0.011608123,0.087060924,0,0,1.134999174,-0.170249876,-0.266724806,-0.027324054,-0.039234539,-0.06305551,0.472916323,0,0,0.119377163,-0.044009516,-0.018886967,0.00153787,0.010797129,-0.026239908,0.042387543,0,0,-0.189015802,-0.243542731,-0.001104782,-0.005837242,-0.06732718,0.359977965,0,0,-0.15,-0.235,-0.024074074,-0.034567901,-0.055555556,0.416666667,0,0,-0.15,-0.235,-0.024074074,-0.034567901,-0.055555556,0.416666667,0,0,-0.15,-0.235,-0.024074074,-0.034567901,-0.055555556,0.416666667,0,0,-0.15,-0.235,-0.024074074,-0.034567901,-0.055555556,0.416666667,0,0,-0.15,-0.235,-0.024074074,-0.034567901,-0.055555556,0.416666667,0,0,-0.36865942,-0.15821256,0.012882448,0.090445518,-0.219806763,0.355072464,0,0,1.737649235,1.320475875,0.854935481,0.842596687,0.83641934,0,0,0,1.7,1.36,0.881481481,0.839506173,0.755555556,0,0,0,1.7,1.36,0.881481481,0.839506173,0.755555556,0,0,0,1.7,1.36,0.881481481,0.839506173,0.755555556,0,0,0,1.7,1.36,0.881481481,0.839506173,0.755555556,0,0,0,1.7,1.36,0.881481481,0.839506173,0.755555556,0,0,0,1.971014493,1.051207729,0.766505636,0.803005904,1.314009662,0,0,0,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,19.1627681,9.531384049,15.75236883,19.1027681,3.82055362,9.53153419,-0.1,1.11E-16,2.22E-17,-18.36840028,2000004.099,400000.8197,7.254329894,0,11.89,12.11005553,-0.170508481,0.049754285,4.958848989,6.384508432,4,16,16,16,4,0,0,0,0,0,13.118484,3.39394298,2.902564078,2.234828892,1.598026915,1.187258543,0.083923071,0.083923071,0.083923071,1.865929755,1.563026335,1.144444036,0.769718516,0.553887413,0.083923071,0.083923071,0.083923071,3.426706868,2.950308951,2.305078211,1.695309721,1.307890993,0.270913902,0.270913902,0.270913902,1.798813498,1.473453684,1.029023966,0.630337185,0.399096902,0.270913902,0.270913902,0.270913902,3.569283482,3.155598408,2.599681189,2.090117344,1.782051108,0.943918427,0.943918427,0.943918427,1.597427488,1.195492746,0.655367741,0.162386152,0.13353473,0.943918427,0.943918427,0.943918427,3.450769146,2.985267979,2.356141543,1.765276817,1.393671185,0.399277246,0.399277246,0.399277246,1.755722936,1.415133181,0.952630191,0.536857124,0.294397011,0.399277246,0.399277246,0.399277246,3.637744659,3.252217518,2.733638931,2.26277616,1.982670235,1.207644823,1.207644823,1.207644823,1.533404227,1.104407163,0.527456807,0.004703131,0.329741677,1.207644823,1.207644823,1.207644823,3.456167551,3.088017591,2.468817839,1.859415276,1.495457506,0.588235294,0.588235294,0.588235294,1.734780343,1.300863664,0.816419181,0.411275086,0.16336102,0.588235294,0.588235294,0.588235294,0,0,0,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,8.250966823,16.32702112,15.35294118,15.56,9.791326946,131.4268359,0.48535099,0.960413007,0.903114187,0.915294118,0.575960409,7.730990349,2.1965,25.199,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,4.423611111,0,4.076388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.211805556,0,1.34375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.211805556,0,1.388888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.5,1.7,0.2,2.211805556,0.2,1.34375,3.875819444,0.15625,0.211805556,0.847222222,0.15625,0.211805556,0.847222222,2.5,0.5,0,0,0.41765,0.7,0.41765,0.41765,0.7,0,0,0,0,0.71429,0,0,0.4,0,0,2,0.4,2,0.4,0,0,-2,-0.4,0,0,4.09272,0.81854,4.09272,0,0,2.41421,0.48284,2.41421,0,0,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4,0,0,0,0,0,0,1,0.873981048,1.159554752,2.027489311,2.116299606,1.540007324,1.384692888,14.85767782,19.71243079,34.46731829,35.9770933,26.18012451,23.53977909,0.213819937,0.283685699,0.496026359,0.517753846,0.376763627,0.338765866,3.213481793,2.927908089,2.05997353,1.971163236,2.547455517,2.702769954,0.218495262,0.289888688,0.506872328,0.529074901,0.385001831,0.346173222,6.588780814,10.01566527,12.67169764,10.17480877,9.537453639,5.388226008,19.83472123,16.56436327,16.52370694,19.10355758,13.94714955,9.505207406,5,4,4,5,0,5,2.01,0.8131,0.25,3.301927249,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,2.269,3,2,1,0,0,0,0,0,0,15,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,0,0,2.772588722,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.5,4,1,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,0,95.03638183,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,72.09390038,4.24081767,8.849873734,1.769974747,0,0,0,20,2,3.185,14,1.2155,2.092697052,2.823121705,3.533912901,4.841113572,5.71185753,0,0,0,0,65.03495578,52.13174453,45.54109359,47.32919517,24.7140772,5.803612809,0,0,0,0,257.0304509,271.1018315,263.1097111,312.9939119,299.7831028,177.5459197,0,0,0,0,8.812494779,14.78166705,19.58010244,24.51829235,33.23728001,38.37490919,0,0,0,0,1.991404788,2.380722688,2.488409701,3.049449287,3.346326501,2.539565568,0,0,0,0,176.0959978,331.2997,474.7789493,593.0408367,838.4596352,1056.223283,0,0,0,0,2.46028125,3.320514809,3.949024734,5.174637486,6.625907833,5.71185753,0,0,0,0,0.414511875,0.507115079,0.538050516,0.66187002,0.74131772,0.584894211,0,0,0,0,342.5156733,101.0040335,8.289209607,159.5704575,-47.05553962,-9.58566614,182.9452158,148.0595731,17.87487575,0.682185092,0.201168738,0.016509537,0.317814908,-0.093720055,-0.019091677,171.9723692,50.71272439,4.161897179,80.11811361,-23.62593382,-4.812830024,0.089474877,0.22098478,1.95165641,14.67771004,502.0861309,0,1,0,248.3262766,15.75837163,6.285515363,364.5707096,19.09373482,7.143766615,343.5942835,18.53629638,7.004040413,1.91052409,1.91052409,262.2128483,247.8268546,31.1153899,1.058048566,8.427111122,7.964767771,3.319965475,3.220194404,6.42424645,0.994987148,3.346806641,3.794149359,1.817417009,10.98166136,5.542274002,0.143483173,1.978639402,8.390983759,1.622394608,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.28087429,3.79390147,0.118895535,3.082253751,0.04176018,0.001163757,0.277851465,0.333435168,0.940624858,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0.906696446,3.793918507,0.405967517,3.73400432,0.413773867,0.010874038,0.624992159,1.320674985,0.98758703,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.15911246,3.79412231,1.692338752,10.15820608,4.939943017,0.127928578,1.87450905,7.665112602,1.548039291,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336303737,3.793940168,0.620739546,4.466658491,0.892065326,0.023282332,0.863301197,2.193602889,1.047201643,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041753714,3.79426299,2.304478409,14.41643027,8.073995966,0.208843306,2.364197824,11.34265074,1.934734008,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.026613018,3.446103369,0.912695501,5.76105827,1.924229325,0.049945048,1.21713962,3.521030779,1.535757028,1.652095205,0.056249377,0.389865242,2.78E-15,3.82E-51,1.01E-108,5.17E-188,5.10E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.05573004,0.731531522,0.488220724,0.768788486,0.138666284,0.565615215,0.515061766,0.588213455,5.275482286,5.304134674,12.02811628,0.653182729,1.668890436,3.321390012,0.316307643,0.115953352,0.884842519,0.084266663,0.37933486,0.096296964,0.033179448,3.753651008,1.472384285,5.347853687,0.827263778,0.508811272,3.630227242,0.490936001,0.272515734,0.826238617,0.111736885,0.453159019,0.231975961,0.183267602,4.393678977,2.90529107,7.784650106,0.739357926,0.868402582,4.039189805,0.722179042,0.479835793,0.770660579,0.137788751,0.561011195,0.501976035,0.568182452,5.24120464,5.201693423,11.84258782,0.655990869,1.631169682,3.7602957,0.564481671,0.338452822,0.806371452,0.121049497,0.486213486,0.306685266,0.282682429,4.663230194,3.586351107,8.967987353,0.709557177,1.075581181,4.107027869,0.760537273,0.514225718,0.763134053,0.141316765,0.58001377,0.556716673,0.65254448,5.38179086,5.626574954,12.61457441,0.644701079,1.789274924,4.054481876,0.722580953,0.480551188,0.771163852,0.137435147,0.565267129,0.502534916,0.569877939,5.257614018,5.225314597,11.89079529,0.656745778,1.637679984 +UMLS0057,L,Pentane,CCCCC,8003,"Co optima database mon values measured api report, Because UML has more reliable source use there data ","Sandia, UML",[1],C5H12,PubChem,,-1.4,0,0.7264,0.52765696,23.4093,15.46793,0,0,15,5,10,0,5,0,0,0,0,0,0,0,0,0,731.481245,698.127364,620.495067,448.038194,253.313593,67.647888,6.096384,0,0,2428.421953,2841.433771,3178.102417,2659.045622,1714.414766,791.2692929,186.5024666,0,0,104.88722,101.338384,169.696812,194.551112,145.10314,82.617408,40.310784,0,0,18.39062905,22.2910431,27.73754208,25.16491239,17.03260934,8.680011884,2.667677429,0,0,2483.148301,2038.402901,3786.727196,4679.906413,3570.786562,2060.036303,1109.505912,0,0,31.5,34.25,43.5,45.5,35,20,6,0,0,48.76541633,49.86624029,25.85396112,16.00136407,12.06255205,5.637324,1.016064,0,0,161.8947969,202.9595551,132.4209341,94.96591507,81.63879838,65.93910774,31.08374443,0,0,6.992481333,7.238456,7.0707005,6.948254,6.909673333,6.884784,6.718464,0,0,1.226041937,1.592217364,1.15573092,0.898746871,0.811076635,0.723334324,0.444612905,0,0,165.54322,145.6002072,157.7802998,167.1395148,170.0374553,171.6696919,184.917652,0,0,2.1,2.446428571,1.8125,1.625,1.666666667,1.666666667,1,0,0,0.040801794,-0.007684701,-0.018510288,0.003444604,-5.48E-04,-0.004435967,0.007333777,0,0,403.5533633,-53.80711511,-161.4213453,-26.90355756,-3.55E-15,-40.35533633,80.71067267,0,0,750.4247115,-100.0566282,-300.1698846,-50.0283141,-9.24E-14,-75.04247115,150.0849423,0,0,0.079053333,-0.010540444,-0.031621333,-0.005270222,-4.59E-16,-0.007905333,0.015810667,0,0,3.354747616,-0.447299682,-1.341899046,-0.223649841,5.27E-16,-0.335474762,0.670949523,0,0,18.22304229,-2.429738973,-7.289216918,-1.214869486,-2.49E-14,-1.822304229,3.644608459,0,0,4.833333333,-0.861111111,-1.166666667,-0.055555556,0.333333333,-1.333333333,0.666666667,0,0,0.00272012,-5.49E-04,-7.71E-04,1.23E-04,-2.61E-05,-3.70E-04,0.001222296,0,0,26.90355756,-3.843365365,-6.725889389,-0.960841341,-1.69E-16,-3.362944694,13.45177878,0,0,50.0283141,-7.146902014,-12.50707852,-1.786725503,-4.40E-15,-6.253539262,25.01415705,0,0,0.005270222,-7.53E-04,-0.001317556,-1.88E-04,-2.18E-17,-6.59E-04,0.002635111,0,0,0.223649841,-0.031949977,-0.05591246,-0.007987494,2.51E-17,-0.02795623,0.111824921,0,0,1.214869486,-0.173552784,-0.303717372,-0.043388196,-1.18E-15,-0.151858686,0.607434743,0,0,0.322222222,-0.061507937,-0.048611111,-0.001984127,0.015873016,-0.111111111,0.111111111,0,0,-0.201795263,-0.283539745,0.045226532,-0.009599047,-0.135899861,0.449353832,0,0,-0.142857143,-0.25,-0.035714286,-6.29E-18,-0.125,0.5,0,0,-0.142857143,-0.25,-0.035714286,-8.79E-17,-0.125,0.5,0,0,-0.142857143,-0.25,-0.035714286,-4.15E-15,-0.125,0.5,0,0,-0.142857143,-0.25,-0.035714286,1.12E-16,-0.125,0.5,0,0,-0.142857143,-0.25,-0.035714286,-9.75E-16,-0.125,0.5,0,0,-0.1908867,-0.150862069,-0.006157635,0.049261084,-0.344827586,0.344827586,0,0,1.452236024,1.196521654,0.759852477,0.940778679,1.165157117,0.156344826,0,0,1.5,1.3125,0.9,0.8,0.875,0,0,0,1.5,1.3125,0.9,0.8,0.875,0,0,0,1.5,1.3125,0.9,0.8,0.875,0,0,0,1.5,1.3125,0.9,0.8,0.875,0,0,0,1.5,1.3125,0.9,0.8,0.875,0,0,0,1.5,0.890086207,0.814655172,0.931034483,1.689655172,0,0,0,14.83761862,7.418809311,12.35224229,14.83761862,2.967523724,7.420267565,-1.78E-15,0.09494679,0.018989358,-1.177219322,16.9738535,3.3947707,1.415837065,14.83761862,7.418809311,12.35224229,14.83761862,2.967523724,7.420267565,-1.78E-15,0.09494679,0.018989358,-1.177219322,16.9738535,3.3947707,1.415837065,14.83761862,7.418809311,12.35224229,14.83761862,2.967523724,7.420267565,-1.78E-15,0.09494679,0.018989358,-1.177219322,16.9738535,3.3947707,1.415837065,14.83761862,7.418809311,12.35224229,14.83761862,2.967523724,7.420267565,-1.78E-15,0.09494679,0.018989358,-1.177219322,16.9738535,3.3947707,1.415837065,14.83761862,7.418809311,12.35224229,14.83761862,2.967523724,7.420267565,-1.78E-15,0.09494679,0.018989358,-1.177219322,16.9738535,3.3947707,1.415837065,14.83761862,7.418809311,12.35224229,14.83761862,2.967523724,7.420267565,-1.78E-15,0.09494679,0.018989358,-1.177219322,16.9738535,3.3947707,1.415837065,21.09638642,10.38152654,17.7246949,20.89638642,4.179277284,10.38159712,-0.333333333,0.141184877,0.028236975,-0.97884253,11.93431729,2.386863459,1.239709028,0,11.79,12.21002884,-0.306952295,0.113242718,4.962581409,6.553256873,4,14,13,13,3,1,1,0,0,1,10.93207,3.424382986,2.923130113,2.151880755,1.408858089,0.91409933,0.083923071,0.083923071,0.083923071,1.841280147,1.502884653,1.056771571,0.65178922,0.35001033,0.083923071,0.083923071,0.083923071,3.451819021,2.963581857,2.220635348,1.513051785,1.0416878,0.270913902,0.270913902,0.270913902,1.779222966,1.421778179,0.94075859,0.505648208,0.188798359,0.270913902,0.270913902,0.270913902,3.573816307,3.14009509,2.511589032,1.934638334,1.542298826,0.943918427,0.943918427,0.943918427,1.598408593,1.174896333,0.566973211,0.011454745,0.368887427,0.943918427,0.943918427,0.943918427,3.472108455,2.993340828,2.2707801,1.587949745,1.132407503,0.399277246,0.399277246,0.399277246,1.739837574,1.369360172,0.864090473,0.407370093,0.079542091,0.399277246,0.399277246,0.399277246,3.633931817,3.22465886,2.644984431,2.11794573,1.753184938,1.207644823,1.207644823,1.207644823,1.542710228,1.095678251,0.439919511,0.166337154,0.575489175,1.207644823,1.207644823,1.207644823,3.516739676,3.054405915,2.304220154,1.605960139,1.214076205,0.5,0.5,0.5,1.789511559,1.26962081,0.785255433,0.366696594,0.015682308,0.5,0.5,0.5,0,0,1,1,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,3.698670613,2.023603362,1.077350269,0.49279928,0.204124145,0,0,0,0.739734123,0.505900841,0.359116756,0.24639964,0.204124145,0,0,0,7.709139019,14.43918427,13.62745098,13.8,8.992772455,115.1412754,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.89869,24.835,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,3,1,0,2,0,0,0,0,0,0,0,0,1,1,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.480972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0.344097222,0,0,0.759305556,0.290277778,0,0.740694444,0,0,0,0,0,0,0,0,2.140555556,3.550416667,2.378472222,0,1.930555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.930555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0.344097222,0,0,0.225625,0.290277778,0,0.344097222,0,0,0,0,0,0,0,0,2.140555556,3.550416667,1.152777778,0,1.930555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.550416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0.344097222,0,0,0.290277778,0.290277778,0,0.396597222,0,0,0,0,0,0,0,0,2.140555556,3.550416667,1.225694444,0,1.930555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,2,0.396597222,3.550416667,0.225625,1.152777778,3.740731667,0.347222222,0.550416667,1.381944444,0.347222222,0.550416667,1.381944444,2.5,0.5,0,0,0.43333,0.7,0.41765,0.41765,0.7,0.01569,0.01569,0,0,0.71429,0,0,0.4,0,0,3,0.6,2,0.4,1,0.2,-1,-0.2,0,0,3.03087,0.60617,4.09272,1.06185,0.21237,1.84933,0.36987,2.41421,0.56488,0.11298,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4,0,0,0,0,0,0,0.6,0.918295834,2.279799132,3.189898095,3.189898095,2.929438722,2.020934564,13.77443751,34.19698698,47.84847143,47.84847143,43.94158084,30.31401845,0.235045188,0.583532883,0.816480016,0.816480016,0.749813349,0.517274419,2.988594762,1.627091464,0.7169925,0.7169925,0.977451873,1.885956032,0.235045188,0.583532883,0.816480016,0.816480016,0.749813349,0.517274419,6.73287657,16.61271364,17.52993415,17.52993415,14.40442168,7.762778442,19.74937501,12.79875458,11.7929099,11.7929099,10.23015366,6.329470357,5,4,4,5,2,5,2.01,0.7701,0.25,3.301927249,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,2.162,3,2,1,0,0,0,0,0,0,15,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,0,0,2.995732274,1.266666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.5,3,0.75,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,0,92.39992313,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,70.07825032,4.671883355,8.849873734,1.769974747,0,0,0,20,2,2.819,14,1.212428571,2.115585241,2.8678493,3.588216882,4.939252652,5.88270204,0,0,0,0,70.18493327,61.40616032,54.99274713,55.14348712,30.02727022,5.977201766,0,0,0,0,268.7976717,299.8307382,296.6233806,337.8352264,342.1557333,182.8564068,0,0,0,0,8.807231678,15.0053697,19.97460842,24.93960697,34.0842579,39.52272188,0,0,0,0,2.053742327,2.566760438,2.720378615,3.217931091,3.70440015,2.615525242,0,0,0,0,174.5923113,330.4085046,475.9771078,598.9623097,841.6615888,1087.815449,0,0,0,0,3.048053571,3.960909524,4.843394629,6.537698351,8.530187633,5.88270204,0,0,0,0,0.426432857,0.54429098,0.585007915,0.695983865,0.816047799,0.602388689,0,0,0,0,305.9036835,105.9906939,9.921544864,187.6226546,-65.00822457,-12.10893677,118.2810289,170.9989185,22.03048163,0.61983254,0.214761981,0.020103375,0.38016746,-0.131721895,-0.024535543,150.9715247,52.30919902,4.896543705,92.59672167,-32.08327101,-5.976079222,0.163441145,0.296205898,3.633731167,7.638526358,493.5263381,0,1,0,268.9762393,16.40049509,6.45512474,366.483537,19.14375974,7.156238785,365.6309874,19.12147974,7.150685297,2.008938157,2.008938157,248.9038092,234.2462343,24.68688957,1.062573364,10.08242892,9.488689682,3.181925663,3.477616438,6.522108179,0.875453575,3.03399221,2.966362138,2.534510162,8.036998003,4.557334177,1.012221984,2.804470959,4.939437359,1.040165523,0.660501497,0.648627375,1.904596213,2.41E-10,5.90E-42,2.78E-95,2.53E-170,4.43E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0.25463265,2.966216742,0.162147541,2.907480813,0.034837854,0.084666835,0.254618062,0.188302531,0.788243434,0.055423534,0.035200744,0.013414227,1.70E-12,4.15E-44,1.96E-97,1.78E-172,3.12E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0.82195919,2.96622678,0.556745036,3.36359461,0.341522587,0.266378334,0.766129826,0.75693306,0.839343022,0.178919051,0.126306161,0.139786586,1.77E-11,4.33E-43,2.04E-96,1.85E-171,3.25E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,2.863841809,2.966346289,2.357559811,7.51392117,4.062389478,0.952741211,2.645198361,4.506653022,1.024628738,0.623454177,0.599007543,1.696960936,2.15E-10,5.25E-42,2.48E-95,2.25E-170,3.95E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.211411074,2.966239502,0.854243467,3.852161787,0.735089753,0.393380794,1.119929274,1.26639796,0.874517217,0.263698947,0.198974555,0.303635145,3.85E-11,9.40E-43,4.43E-96,4.03E-171,7.06E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,3.663982558,2.96642871,3.225688815,10.21107831,6.637505897,1.235514197,3.397787755,6.702986174,1.097821019,0.797676588,0.84604765,2.777674579,3.52E-10,8.60E-42,4.05E-95,3.69E-170,6.46E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.557836958,2.099483848,1.127371719,3.875183707,1.150772254,0.37587372,1.876959301,1.666024962,1.295524671,0.495325359,0.261768053,0.476149053,6.03E-11,1.47E-42,6.95E-96,6.32E-171,1.11E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,4.011491495,0.773978241,0.33171481,0.783925508,0.151250797,0.520419933,0.508083785,0.399986227,5.117184546,4.692218316,10.83931337,0.675888262,1.428489944,3.308115299,0.281621611,0.071512482,0.9035482,0.076919538,0.353910775,0.067270119,0.018589984,3.661249392,1.188347756,4.916220805,0.8553223,0.439770879,3.587473248,0.477169929,0.174856401,0.846202053,0.112553362,0.416211227,0.193121902,0.111142045,4.239499577,2.42256323,6.961388001,0.76930308,0.720475174,3.994077859,0.761788902,0.325272933,0.786059447,0.14992481,0.515911246,0.492206596,0.38460167,5.081139694,4.589598919,10.66042841,0.679089171,1.392719512,3.711994691,0.564333755,0.220921039,0.82539221,0.1254842,0.445607871,0.270119075,0.177414645,4.497249485,3.039534827,7.999570567,0.738088315,0.893141591,4.06600895,0.8121398,0.351882605,0.777434909,0.155283926,0.534662279,0.559420574,0.450101967,5.230031355,5.018703388,11.41071012,0.666152363,1.544184821,4.021549993,0.759455956,0.324503618,0.787688269,0.148752234,0.523037716,0.489189962,0.382784551,5.105509568,4.605643826,10.70224913,0.681532403,1.395012228 +UMLS0058,L,1-Pentene,CCCC=C,8004,Sandia values from independent api report ,"Sandia, UML",[9],C5H10,PubChem,,10.8,0,-0.7069,0.49970761,16.8667,13.176344,0,0,13,5,8,0,4,0,1,0,0,0,0,0,0,0,841.152997,913.977045,1030.977621,221.985792,12.192768,0,0,0,0,2159.128339,2793.90264,3705.238606,2077.898852,373.0049332,0,0,0,0,97.261492,99.630372,192.859428,203.917824,80.621568,0,0,0,0,15.35570724,19.95373448,28.32543528,20.83695852,5.335354858,0,0,0,0,2171.969926,1912.050107,4004.948013,4797.219504,2219.011824,0,0,0,0,29.25,29.25,53.25,44,12,0,0,0,0,64.70407669,70.30592654,41.23910484,7.928064,1.016064,0,0,0,0,166.0867953,214.9155877,148.2095442,74.21067329,31.08374443,0,0,0,0,7.481653231,7.663874769,7.71437712,7.282779429,6.718464,0,0,0,0,1.181208249,1.534902652,1.133017411,0.74417709,0.444612905,0,0,0,0,167.0746097,147.0807774,160.1979205,171.329268,184.917652,0,0,0,0,2.25,2.25,2.13,1.571428571,1,0,0,0,0,0.166861775,-0.030290087,-0.061106998,-0.017764016,0.025730214,0,0,0,0,441.1976548,25.77965908,-198.9386779,-294.6365429,247.1967344,0,0,0,0,616.1115392,-56.84338354,-230.9159335,-359.8460292,339.5495767,0,0,0,0,1.006116923,0.022630154,-0.405269775,-0.320349065,0.199930225,0,0,0,0,2.72042466,-0.59382257,-0.825059763,-1.163071608,1.221741611,0,0,0,0,15.16770937,-3.820079871,-4.293260755,-5.6554302,6.184916144,0,0,0,0,5.692307692,0.307692308,-2.408284024,-2.183431953,1.437869822,0,0,0,0,0.012835521,-0.002330007,-0.00244428,-6.34E-04,0.002144184,0,0,0,0,33.93828114,1.983050698,-7.957547118,-10.52273367,20.59972786,0,0,0,0,47.39319532,-4.372567964,-9.236637339,-12.8516439,28.29579805,0,0,0,0,0.077393609,0.001740781,-0.016210791,-0.011441038,0.016660852,0,0,0,0,0.209263435,-0.045678659,-0.033002391,-0.041538272,0.101811801,0,0,0,0,1.166746874,-0.293852298,-0.17173043,-0.20197965,0.515409679,0,0,0,0,0.437869822,0.023668639,-0.096331361,-0.077979713,0.119822485,0,0,0,0,-0.181528017,-0.190430906,-0.04942761,0.16705083,0,0,0,0,0.058431088,-0.23447113,-0.310054998,0.606976169,0,0,0,0,-0.092261514,-0.194893745,-0.271170657,0.597043476,0,0,0,0,0.022492569,-0.209459038,-0.147829234,0.215274261,0,0,0,0,-0.218283042,-0.157707392,-0.198497514,0.486524561,0,0,0,0,-0.251856083,-0.147187393,-0.173113513,0.441749355,0,0,0,0,0.054054054,-0.22,-0.178088803,0.273648649,0,0,0,0,1.079202865,1.533771392,0.907522794,0.017953309,0,0,0,0,1.046455482,1.296573014,1.142205478,0,0,0,0,0,1.400782816,1.2092156,1.05569405,0,0,0,0,0,0.843451136,1.537371059,1.021459241,0,0,0,0,0,1.621620514,1.204846877,0.957062907,0,0,0,0,0,1.669131046,1.213986238,0.926844302,0,0,0,0,0,0.810810811,1.517837838,1.054054054,0,0,0,0,0,10.66538388,5.457691938,7.897885203,10.81538388,2.163076775,5.469380842,0.25,0.068325039,0.013665008,-1.341739488,11.99443274,2.398886548,1.242221302,10.66925687,5.459261223,7.899720492,10.81881621,2.163763243,5.470927706,0.249265579,0.068101504,0.013620301,-1.343377989,11.99776791,2.399553583,1.242360313,14.18871007,6.894857797,10.13854223,13.94931339,2.789862677,6.897280554,-0.398994478,1.11E-16,2.22E-17,-18.36840028,2000008.112,400001.6225,7.254330897,10.67332191,5.460908357,7.901648432,10.82241879,2.164483759,5.472551358,0.2484948,0.067867019,0.013573404,-1.345102542,12.00128137,2.400256273,1.242506712,18.35299542,8.491770774,13.04482709,18.13653657,3.627307313,8.492317957,-1.082294264,0.131666808,0.026333362,-1.013740366,26.88790134,5.377580269,1.645838211,11.0723239,5.622729045,8.099057465,11.17620442,2.235240883,5.632308805,0.173134186,0.045564955,0.009112991,-1.544308193,12.41358514,2.482717029,1.259395725,9.348668008,4.786433652,7.243934167,9.344295875,1.868859175,4.814501047,0.571428571,0.173198573,0.034639715,-0.87665826,11.43910381,2.287820761,1.218518822,0,11.99693555,15.99741702,-0.402844557,0.06949013,4.99268493,5.798514342,5,13,13,13,5,0,0,0,0,0,10.661656,3.534649867,2.459820995,2.301199922,1.19006016,0.713992824,0.083923071,0.083923071,0.083923071,1.724171079,1.465521747,0.757863935,0.584445752,0.083923071,0.083923071,0.083923071,0.083923071,3.491022994,2.510897621,2.197473417,1.30885592,0.497844042,0.270913902,0.270913902,0.270913902,1.655976007,1.480535746,0.62194973,0.449177799,0.270913902,0.270913902,0.270913902,0.270913902,3.66565947,2.734801489,2.534642776,1.778468089,1.135201186,0.943918427,0.943918427,0.943918427,1.452583651,1.182450458,0.172849073,0.065446663,0.943918427,0.943918427,0.943918427,0.943918427,3.492553132,2.548571849,2.194211739,1.39352899,0.439979725,0.399277246,0.399277246,0.399277246,1.612285733,1.48786325,0.531260614,0.360087334,0.399277246,0.399277246,0.399277246,0.399277246,3.706001995,2.841861735,2.613106294,1.978039144,1.208515408,1.207644823,1.207644823,1.207644823,1.38842831,1.140126443,0.016182923,0.237178465,1.207644823,1.207644823,1.207644823,1.207644823,3.820976301,2.732553622,2.634421018,1.577575475,1.384478255,0.666666667,0.666666667,0.666666667,1.528942797,1.156098215,0.349720363,0.115243296,0.666666667,0.666666667,0.666666667,0.666666667,0,0,0,0,0,2,2,0,0,0,0,0.176776695,0,0,0,0,0.102062073,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.535533906,2.5,1.767766953,1.25,0.883883476,0,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0,0,0,3.236675415,2.077350269,1.319479217,0.827350269,0.510310363,0,0,0,0.647335083,0.415470054,0.263895843,0.165470054,0.102062073,0,0,0,6.88211032,12.8820102,12.25098039,12.44,7.674457485,100.2675413,0.529393102,0.990923861,0.942383107,0.956923077,0.590342883,7.712887794,0.7968,20.053,14,18.61803399,28,5.6,14.000001,1.11E-16,2.22E-17,-18.36840028,19.22543377,3.845086753,1.478117039,20,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.522222222,0,0,0,0,0,0,0,0,0,0,0,0,0,4.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,1.277777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.5,1.9,0.45,4.944444444,0.277777778,1,2.195777778,0.5,1.444444444,2.888888889,0.5,1.444444444,2.888888889,2.33333,0.46667,0,0.03333,0.51282,0.85333,0.43333,0.51282,0.85333,0.07949,0,-0.07949,0,0.54687,0.16742,0,0,0,0,3,0.6,3,0.6,0,0,-3,-0.6,0,0,2.97125,0.59425,3.75,0.77875,0.15575,1.99071,0.39814,2.5,0.50929,0.10186,-0.086,-0.0172,0,0,0.384615385,5.01,1,1,1,1,0,0,1,1.238901257,1.546593564,2.16197818,2.16197818,2.16197818,2.16197818,16.10571634,20.10571634,28.10571634,28.10571634,28.10571634,28.10571634,0.334798389,0.41794859,0.584248993,0.584248993,0.584248993,0.584248993,2.461538462,2.153846154,1.538461538,1.538461538,1.538461538,1.538461538,0.334798389,0.41794859,0.584248993,0.584248993,0.584248993,0.584248993,11.26589917,14.95820687,15.57840689,15.57840689,15.57840689,15.57840689,18.28260559,15.69636663,16.43374578,16.43374578,16.43374578,16.43374578,3.2,1.44,0.64,0,0,0,1.79,0.6223,0,0,0,0,4.242640687,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.402,0.394,0.462,0.261,2.485,5,5,5,0,0,0,0,0,0,25,1.791759469,1.791759469,1.791759469,1.791759469,0,0,0,0,0,0,3.258096538,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,8.618033989,12,2.4,6.006204681,0,0,0,13.96759521,2.793519041,1.318370009,9.23,74.1741652,3.321928095,3.044522438,3.713572067,4.394449155,5.081404365,5.771441123,6.463029457,7.155396302,7.848153086,8.541105011,62.013073,2.397895273,0,3.433987204,2.397895273,4.615120517,4.262679877,5.860786223,5.888877958,7.147559271,7.6989362,72.05751488,5.54288576,9.6875,1.9375,2.875,2.875,0,15,0,0.526,20,1.32381402,2.215652368,2.898541822,3.911780143,0,0,0,0,0,0,115.8765269,104.3870609,25.86248133,3.974618979,0,0,0,0,0,0,310.2952519,351.3645104,232.8712978,121.5927742,0,0,0,0,0,0,10.49500968,17.4466941,21.35241214,26.28115407,0,0,0,0,0,0,2.077999953,2.586990757,2.279127772,1.739227933,0,0,0,0,0,0,194.4288821,354.6300057,491.0884207,723.3571993,0,0,0,0,0,0,3.430344672,5.088834073,4.799443134,3.911780143,0,0,0,0,0,0,0.497207669,0.627244541,0.540544713,0.400566287,0,0,0,0,0,0,199.1911769,86.73150727,8.874803944,46.87302054,-20.40937649,-16.57440372,152.3181563,107.1408838,25.44920766,0.809508978,0.352475119,0.036067027,0.190491022,-0.0829433,-0.067358047,49.01381706,21.34151872,2.18377151,11.53377218,-5.022016845,-4.078367348,0.129341162,0.874144515,3.284762567,37.83985785,202.7763231,43.28787427,0.824078941,0.175921059,317.3301829,17.81376386,6.820828459,394.8264715,19.87024085,7.336159318,439.0181948,20.95276103,7.600243498,1.452529858,1.426837716,156.8175878,94.22550879,78.70754181,1.664279555,1.992408659,1.197159848,3.028378772,3.135879074,4.651062929,0.483176749,2.231237239,0.812322797,12.61835777,2.899387394,5.638520027,1.891615829,1.674003163,1.062431324,7.07E-06,5.49E-32,9.65E-80,3.44E-149,2.39E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.187282339,0.81215352,2.037431497,2.153566959,1.310254884,0.143719534,0.063959634,0.007482791,4.98E-08,3.86E-34,6.79E-82,2.42E-151,1.68E-242,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.604497109,0.812165166,3.287970162,1.756808447,1.937848912,0.410953975,0.256895821,0.077976448,5.19E-07,4.03E-33,7.08E-81,2.52E-150,1.75E-241,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.106107785,0.81230433,12.13202819,3.039692624,5.552191747,1.898951279,1.52742858,0.946607182,6.30E-06,4.89E-32,8.60E-80,3.06E-149,2.13E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.89090197,0.812179963,4.441292524,1.666644282,2.37640751,0.583968872,0.429634952,0.169375265,1.13E-06,8.75E-33,1.54E-80,5.48E-150,3.81E-241,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.694535288,0.812400372,15.94525144,3.516136819,7.126875068,2.478667973,2.271214005,1.549456236,1.03E-05,8.00E-32,1.41E-79,5.01E-149,3.49E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.48750243,0.812228564,9.382653002,3.347523004,4.493779252,1.559173215,0.894798048,0.472191699,3.14E-06,2.44E-32,4.29E-80,1.53E-149,1.06E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.061267326,0.856730237,0.523837969,0.598886062,0.248916669,0.559535764,0.427460602,0.546683867,3.441835531,3.29450796,7.661415175,0.398329092,1.533680233,1.216742779,1.163562009,0.112371329,0.488127106,0.466792297,0.377133514,0.414505088,0.020576688,2.492676117,1.683233685,4.335000149,0.432379104,0.812215289,1.623051803,0.826078765,0.279427559,0.594838639,0.302752856,0.347152956,0.378481954,0.140138596,2.728558128,2.025123206,5.12832904,0.392257958,0.865773506,1.986954389,0.940102354,0.504087468,0.579093814,0.273990918,0.520023173,0.497365881,0.474622301,3.431144211,3.343433121,7.716182728,0.368640722,1.492011355,1.813764293,0.717696997,0.358110934,0.627693012,0.248374826,0.433264246,0.297789883,0.252550482,2.889572224,2.208277154,5.564014265,0.441539518,0.983604611,2.101306637,0.887612243,0.55279418,0.593302337,0.250616644,0.58148388,0.457981328,0.607129002,3.54171306,3.517402458,8.090157094,0.389953506,1.64659421,2.018505443,0.89947747,0.511691315,0.58854145,0.262263239,0.536613413,0.461119813,0.502649725,3.429674228,3.308706684,7.667407752,0.382812175,1.500382951 +UMLS0059,L,tetrahydrofuran,C1CCOC1,8028,,UML,[1],C4H8O,PubChem,,8.1,0,-0.2605,0.06786025,20.7397,10.509172,5,5,9,5,4,0,4,0,1,0,0,0,0,0,0,0,837.088741,865.548693,922.016853,107.944704,3.048192,0,0,0,0,2034.793362,2334.956175,2728.456669,945.6981928,93.25123329,0,0,0,0,70.387636,71.159844,104.337444,81.80352,20.155392,0,0,0,0,13.57725562,15.49955724,18.79618183,9.084640547,1.333838715,0,0,0,0,1432.299318,1299.559916,1976.173565,1843.856796,554.7529561,0,0,0,0,32.25,34,45,22,3,0,0,0,0,93.00986011,96.172077,70.92437331,9.813154909,1.016064,0,0,0,0,226.0881513,259.439575,209.8812822,85.97256298,31.08374443,0,0,0,0,7.820848444,7.906649333,8.025957231,7.436683636,6.718464,0,0,0,0,1.508583958,1.722173027,1.445860141,0.825876413,0.444612905,0,0,0,0,159.1443687,144.3955462,152.0133511,167.6233451,184.917652,0,0,0,0,3.583333333,3.777777778,3.461538462,2,1,0,0,0,0,0.136858249,-0.028200221,-0.041071817,-0.018667623,0.019510537,0,0,0,0,322.1770049,17.73507911,-151.173756,-156.588863,128.9390374,0,0,0,0,452.624706,-42.96737003,-177.7690357,-182.6866832,177.110736,0,0,0,0,0.909854222,-0.029459556,-0.343846321,-0.185905827,0.104284593,0,0,0,0,2.132178699,-0.470728745,-0.670413716,-0.562213346,0.637266458,0,0,0,0,12.18978678,-3.067779077,-3.57496097,-2.678236145,3.226082803,0,0,0,0,5.555555556,0.416666667,-2.552469136,-2.206790123,1.564814815,0,0,0,0,0.015206472,-0.003133358,-0.003159371,-0.001697057,0.006503512,0,0,0,0,35.79744499,1.970564346,-11.62875046,-14.23535118,42.97967912,0,0,0,0,50.291634,-4.774152226,-13.67454121,-16.60788029,59.03691199,0,0,0,0,0.101094914,-0.003273284,-0.026449717,-0.01690053,0.034761531,0,0,0,0,0.236908744,-0.052303194,-0.051570286,-0.051110304,0.212422153,0,0,0,0,1.354420753,-0.340864342,-0.274996998,-0.243476013,1.075360934,0,0,0,0,0.617283951,0.046296296,-0.19634378,-0.200617284,0.521604938,0,0,0,0,-0.206054231,-0.20776486,-0.111600944,0.427680548,0,0,0,0,0.055047626,-0.324848616,-0.397663889,1.200635384,0,0,0,0,-0.094929352,-0.27190489,-0.330231471,1.173891308,0,0,0,0,-0.032378325,-0.26163252,-0.167174877,0.343850443,0,0,0,0,-0.22077359,-0.217679959,-0.215738361,0.89664125,0,0,0,0,-0.251667985,-0.20303661,-0.179763942,0.793963716,0,0,0,0,0.075,-0.318076923,-0.325,0.845,0,0,0,0,1.015496904,1.296964181,0.905655042,0.012596016,0,0,0,0,0.711923799,1.153369336,1.327171313,0,0,0,0,0,0.951886963,1.07853411,1.219279445,0,0,0,0,0,0.85180532,1.368574945,0.958388894,0,0,0,0,0,1.153237743,1.094143474,1.036090469,0,0,0,0,0,1.202668776,1.108625819,0.978531397,0,0,0,0,0,0.68,1.273846154,1.210909091,0,0,0,0,0,7.059295148,3.654647574,5.260065614,7.209295148,1.44185903,3.733211533,0.25,0.060936701,0.01218734,-1.398959824,11.91397411,2.382794823,1.238856003,7.062030348,3.655647964,5.261272757,7.211589696,1.442317939,3.734113067,0.249265579,0.060729794,0.012145959,-1.400660434,11.91710332,2.383420664,1.238987311,9.537593422,4.569299472,6.774279553,9.298196735,1.859639347,4.59700026,-0.398994478,0.055196492,0.011039298,-1.448427941,25.36405053,5.072810106,1.616666419,7.064901142,3.656697971,5.262541027,7.213998022,1.442799604,3.735059475,0.2484948,0.060512788,0.012102558,-1.402450283,11.92040247,2.384080493,1.239125712,12.35003008,5.586313078,8.859416232,12.13357123,2.426714246,5.596609067,-1.082294264,0.090838941,0.018167788,-1.199333607,25.14106214,5.028212428,1.612251226,7.346494682,3.759814434,5.39338701,7.450375193,1.490075039,3.828750437,0.173134186,0.040067676,0.008013535,-1.608592683,12.32234724,2.464469449,1.255707232,6.462139427,3.414050254,5.002262825,6.656671937,1.331334387,3.521353774,0.428571429,0.114496007,0.022899201,-1.083607664,11.50376624,2.300753248,1.22133724,0,11.85,15.99491564,-0.325173008,0.160017024,4.9344879,5.55988894,5,9,7,4,0,2,0,0,0,5,6.288828,3.735219643,2.224169807,2.176736773,0.684205018,0.416640671,0.259831927,0.383312778,1.344145175,1.581960777,1.344145175,0.383312778,0.259831927,0.416640671,0.684205018,2.176736773,2.224169807,3.648620057,2.259742497,2.007138501,0.824552762,0.386347858,0.109930173,0.231894637,1.450804464,1.53531769,1.450804464,0.231894637,0.109930173,0.386347858,0.824552762,2.007138501,2.259742497,3.796132057,2.429892988,2.326110288,1.369277282,1.03943523,0.459993718,0.270959397,1.178426786,1.407037685,1.178426786,0.270959397,0.459993718,1.03943523,1.369277282,2.326110288,2.429892988,3.630338281,2.28674448,1.969563575,0.92401932,0.419687993,0.011338001,0.130533276,1.504712965,1.506420904,1.504712965,0.130533276,0.011338001,0.419687993,0.92401932,1.969563575,2.28674448,3.801709055,2.519318628,2.367509597,1.595644291,1.208080106,0.650401609,0.445260153,1.178279776,1.369678298,1.178279776,0.445260153,0.650401609,1.208080106,1.595644291,2.367509597,2.519318628,3.852844268,2.376926868,2.309555775,1.003685811,0.803735291,0.10753406,0.052621817,1.166295615,1.485364641,1.166295615,0.052621817,0.10753406,0.803735291,1.003685811,2.309555775,2.376926868,0,0,2,2,0,0,0,0,0,0,0,0.176776695,0,0,0,0,0.045360921,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.535533906,2.5,1.767766953,1.25,0.883883476,0,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0,0,0,2.717649367,1.471404521,0.79314847,0.425380792,0.226804606,0,0,0,0.543529873,0.294280904,0.158629694,0.085076158,0.045360921,0,0,0,5.798454712,9.106336489,8.8,8.92,6.077348503,67.69642036,0.644272746,1.011815165,0.977777778,0.991111111,0.675260945,7.521824484,1.2796,18.708,14,18.61803399,28,5.6,14.000001,1.11E-16,2.22E-17,-18.36840028,19.22543377,3.845086753,1.478117039,20,0,0,1,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.583333333,6.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.341666667,0,0,0,0,2.341666667,0,0,0,0,0,0,0,0,0,0,0,0,0,6.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.583333333,1.625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.533333333,0,0,0,0,0.533333333,0,0,0,0,0,0,0,0,0,0,0,0,0,1.625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.583333333,1.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.6375,0,0,0,0,0.6375,0,0,0,0,0,0,0,0,0,0,0,0,0,1.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.5,2.3,0.6375,4.583333333,0.458333333,1.625,2.068083333,0.375,1.083333333,2.166666667,0.375,1.083333333,2.166666667,2.33333,0.46667,0,0.03333,0.60741,0.85333,0.43333,0.51282,0.85333,0.17407,0.09459,-0.07949,0,0.54687,0.16742,0,0,0,0,8,1.6,3,0.6,5,1,2,0.4,0,0,1.09208,0.21842,3.75,2.65792,0.53158,0.72903,0.14581,2.5,1.77097,0.35419,-0.086,-0.0172,0,0,0.555555556,5.01,0,1,1,1,0,0,0,1.392147224,1.836591668,2.281036113,2.281036113,2.281036113,2.281036113,12.52932501,16.52932501,20.52932501,20.52932501,20.52932501,20.52932501,0.439173552,0.579380164,0.719586776,0.719586776,0.719586776,0.719586776,1.777777778,1.333333333,0.888888889,0.888888889,0.888888889,0.888888889,0.395096565,0.521231552,0.64736654,0.64736654,0.64736654,0.64736654,12.39726651,17.73059985,18.17852208,18.17852208,18.17852208,18.17852208,17.3767778,16.47051112,16.31946668,16.31946668,16.31946668,16.31946668,3.2,1.44,0.64,0,5,0,1.79,0.5363,0,0,0,0,4.242640687,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.162,0.172,0.477,0.395,2.063,5,5,5,0,0,0,0,0,0,25,2.140066163,2.505525937,2.883403089,3.270044111,0,0,0,0,0,0,4.203759348,2.6375,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,8.618033989,12,2.4,6.006204681,0,0,0,13.96759521,2.793519041,1.318370009,13.14,58.0012478,3.321928095,3.044522438,3.713572067,4.394449155,5.081404365,5.771441123,6.463029457,7.155396302,7.848153086,8.541105011,62.013073,2.397895273,0,3.433987204,2.397895273,4.615120517,4.262679877,5.860786223,5.888877958,7.147559271,7.6989362,68.02621475,7.558468305,9.6875,1.9375,2.875,2.875,0,15,0,0.709,20,1.412175807,2.512718459,3.43166515,4.50148783,0,0,0,0,0,0,157.2885454,184.6982928,35.22044638,4.57379973,0,0,0,0,0,0,401.0111539,535.7115696,303.2802733,139.9230973,0,0,0,0,0,0,11.39059948,20.22417311,25.69499798,30.24308393,0,0,0,0,0,0,2.566895212,3.659337085,2.883001911,2.00141958,0,0,0,0,0,0,202.043942,381.2910923,573.1499199,832.4045601,0,0,0,0,0,0,5.811861342,8.845447592,7.064010872,4.50148783,0,0,0,0,0,0,0.60513871,0.879363638,0.687433336,0.460952354,0,0,0,0,0,0,200.8612279,80.06558415,13.18650877,86.95010531,-34.65930706,-15.03834651,113.9111226,114.7248912,28.22485527,0.697892003,0.278187739,0.045816503,0.302107997,-0.120423705,-0.05225071,57.81013778,23.04378252,3.795226668,25.02522573,-9.975341372,-4.328206557,0.224688991,0.815738399,7.734223576,33.4995396,246.7448104,41.06652283,0.857314435,0.142685565,332.070227,18.22279416,6.924843768,371.6676205,19.27868306,7.189823719,452.9411084,21.28241313,7.679752893,2.652708233,2.652708233,148.0086833,84.99932807,66.72113131,1.741292392,2.218317951,1.273949143,2.951952922,3.378611815,4.710721683,0.394277277,1.442268342,0.812152601,2.620162733,3.620746427,1.445178595,1.424981849,1.648071044,0.441600329,2.32E-04,8.81E-28,6.45E-73,9.12E-140,2.48E-228,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.121069842,0.888408023,1.387038561,2.152808305,1.369373793,0.127745069,0.077853558,0.003110228,1.64E-06,6.21E-30,4.55E-75,6.42E-142,1.75E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.390754298,0.746651208,1.113319114,1.814165411,0.835020717,0.363431509,0.197043865,0.032410967,1.70E-05,6.47E-29,4.74E-74,6.69E-141,1.82E-229,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.3613857,0.888094674,3.05594735,3.675819786,1.752186515,1.43642559,1.699223198,0.393457945,2.07E-04,7.85E-28,5.75E-73,8.12E-140,2.21E-228,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.575884335,0.692780837,1.02839837,1.790232558,0.657080542,0.508218014,0.283242589,0.070400949,3.70E-05,1.41E-28,1.03E-73,1.45E-140,3.96E-229,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.741741207,0.860241629,3.347078111,4.564654318,1.74810031,1.794886725,2.404818475,0.644032577,3.39E-04,1.29E-27,9.41E-73,1.33E-139,3.62E-228,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.72115102,0.984402089,2.707728231,2.878864317,1.974078728,0.822255616,0.807243558,0.110400087,5.80E-05,2.20E-28,1.61E-73,2.28E-140,6.21E-229,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.003754311,1.573404801,0.082310067,0.547553269,0.42995438,0.41061903,0.455164521,0.382564864,3.659469179,3.447152858,7.366122356,0.466261473,1.248348415,1.321396935,0.956279231,0.029049939,0.572845182,0.414561238,0.374012107,0.116418421,0.042259659,2.306726105,1.329790799,3.673225117,0.48110963,0.532690187,1.393993457,1.218777078,0.046415936,0.524218016,0.458327045,0.200217554,0.273542568,0.121662166,2.659186471,1.820241462,4.558287089,0.473817592,0.595422288,1.91393627,1.595851615,0.079414526,0.533248352,0.444625695,0.381559491,0.469419297,0.360254405,3.589202411,3.333086429,7.164849257,0.46681107,1.211233193,1.604876669,1.238492061,0.055494899,0.553622686,0.42723364,0.266866022,0.286552914,0.17072228,2.898863629,2.145419475,5.154586264,0.47128449,0.724141216,2.083195964,1.645949933,0.087839865,0.545769907,0.431217205,0.444030835,0.497332836,0.437429374,3.816985761,3.756403927,7.874578201,0.465480668,1.378793046,1.947655446,1.568301283,0.079948122,0.54163153,0.436135367,0.388488133,0.45157534,0.363057295,3.595904851,3.335604672,7.175711904,0.466650346,1.203120768 +UMLS0060,L,Furan,C1=COC=C1,8029,Sandia values and co-optima values are from co-optima api report therefore we should go with UML values ,"Sandia, UML",[1],C4H4O,PubChem,,16.1,0,0.5033,0.25331089,30.6961,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1621.430308,1203.965249,847.95216,816.150476,245.0952,18.289152,0,3346.887898,3979.09551,4899.824225,4643.246774,3570.567584,2868.375069,1962.172413,559.5073998,0,152.568096,145.6753,259.389256,293.345948,292.218312,156.107072,162.393984,120.932352,0,23.35516286,28.53615172,36.92210936,36.93989672,30.00232075,22.59436852,17.90497835,8.003032287,0,3350.680532,2804.677982,5515.919437,6245.455709,6817.206589,3386.191035,3503.329189,3328.517736,0,92.05555556,55.75,100.8333333,105.0555556,84.83333333,65,69,18,0,69.4856748,68.35965826,47.68912671,31.68329603,21.74236308,38.86430838,11.6712,1.016064,0,167.3443949,209.4260795,144.1124772,122.1907046,91.55301496,136.589289,93.43678159,31.08374443,0,7.6284048,7.667121053,7.629095765,7.719630211,7.492777231,7.433670095,7.733046857,6.718464,0,1.167758143,1.501902722,1.085944393,0.972102545,0.769290276,1.07592231,0.852618017,0.444612905,0,167.5340266,147.6146306,162.2329246,164.3540976,174.8001689,161.2471921,166.8251995,184.917652,0,4.602777778,2.934210526,2.965686275,2.764619883,2.175213675,3.095238095,3.285714286,1,0,0.263116967,-0.162117433,0.082071018,-0.026709359,-0.062814774,0.067153598,-0.04315207,0.014010537,0,715.056216,-13.739645,163.134436,-427.438063,92.5056,-5.036836,-581.6736,414.72,0,931.2646053,-148.2416011,14.65790436,-550.1561811,454.5628667,-108.20832,-656.0019276,527.7549561,0,1.9334688,0.00145024,0.78334624,-0.78457312,-0.62124336,0.00120896,-0.76498704,0.41806368,0,4.097118945,-1.072153629,-0.37144502,-2.134537625,2.527921306,-0.81440452,-1.96412975,1.780189767,0,23.01673804,-6.548761719,-2.425366892,-11.36133107,14.29870308,-5.009766563,-9.268802119,8.806956266,0,37.60555556,-1.9725,14.92333333,-13.13944444,-7.264166667,3.3725,-22.3275,7.605,0,0.013155848,-0.008532496,0.002413853,-7.03E-04,-0.001610635,0.00319779,-0.00205486,7.78E-04,0,35.7528108,-0.723139211,4.798071647,-11.24837008,2.371938462,-0.239849333,-27.69874286,23.04,0,46.56323026,-7.80218953,0.431114834,-14.47779424,11.65545812,-5.152777144,-31.23818703,29.31971978,0,0.09667344,7.63E-05,0.023039595,-0.020646661,-0.015929317,5.76E-05,-0.036427954,0.02322576,0,0.204855947,-0.056429138,-0.010924854,-0.056172043,0.064818495,-0.038781168,-0.093529988,0.098899431,0,1.150836902,-0.344671669,-0.07133432,-0.298982397,0.366633412,-0.238560313,-0.441371529,0.489275348,0,1.880277778,-0.103815789,0.438921569,-0.345774854,-0.186260684,0.160595238,-1.063214286,0.4225,0,-0.648570602,0.183481399,-0.053427027,-0.122427318,0.243069872,-0.156193688,0.059164801,0,-0.02022608,0.134201243,-0.314614986,0.066342713,-0.006708545,-0.774729098,0.644424857,0,-0.167561174,0.009258697,-0.310927617,0.250314638,-0.110661935,-0.670876716,0.629675382,0,7.90E-04,0.238323942,-0.213571184,-0.164774492,5.96E-04,-0.376814503,0.240249649,0,-0.275457653,-0.053329443,-0.274202646,0.316410121,-0.189309455,-0.456564671,0.482775496,0,-0.299496539,-0.061984735,-0.259795629,0.318579819,-0.207292895,-0.383522225,0.425147427,0,-0.055213007,0.233434429,-0.183895623,-0.099060195,0.085410379,-0.565455965,0.224700842,0,1.626284851,0.877557017,1.196300779,1.140924346,0.913269383,0.955461509,0.003601188,0,1.04922138,0.856572671,1.328570774,0.865319738,0.928224413,1.772164338,0,0,1.505949528,1.026726295,1.272401598,0.536946093,1.167607284,1.555540651,0,0,0.713221749,0.731396338,1.395831678,1.258537333,0.705180983,1.649902423,0,0,1.749688453,1.117530992,1.251115475,0.412504144,1.279633595,1.345595739,0,0,1.787392882,1.13157774,1.250004176,0.406007317,1.293015694,1.289434213,0,0,0.617521052,0.458393802,1.19995568,0.942295381,1.082666779,2.742755841,0,0,31.73089566,16.11544783,25.06810706,32.10589566,4.013236958,16.11544819,0.5,0.106231617,0.013278952,-1.793706803,33.77855069,4.222318836,2.815860805,31.74443601,16.12148359,25.07874471,32.11833438,4.014791798,16.12148394,0.498531158,0.106035978,0.013254497,-1.79518146,33.73686129,4.217107662,2.814872837,43.80026493,21.50113799,34.79157075,43.20177322,5.400221652,21.50113799,-0.797988956,0.010577105,0.001322138,-3.639250784,26.56475504,3.32059438,2.623668271,31.75864707,16.12781833,25.08991028,32.13138927,4.016423658,16.12781869,0.4969896,0.10583087,0.013228859,-1.796730423,33.69348351,4.211685439,2.813843561,56.64329581,27.23935364,45.37979737,55.01985441,6.877481802,27.23935364,-2.164588529,0.070159726,0.008769966,-2.125584669,27.08061285,3.385076606,2.639054463,33.14989579,16.74808208,26.18767968,33.40959707,4.176199633,16.74808226,0.346268372,0.086798165,0.010849771,-1.955335841,30.73574876,3.841968595,2.740341145,33.03058453,16.78871298,26.51903109,33.57850119,4.197312649,16.7887132,1.095833333,0.266467366,0.033308421,-1.058002797,25.22851187,3.153563983,2.582379823,0,11.89,15.99591765,-0.31559545,0.301600005,3.721746516,7.131568055,7,19,18,18,6,1,1,0,0,1,15.992484,3.522630065,3.258381157,2.470312104,2.333552793,2.062972223,1.228347023,0.873294474,0.083923071,1.831605205,1.558431985,1.249629723,1.157459134,0.490035191,0.378655302,0.083923071,0.083923071,3.452165883,3.182733654,2.444405098,2.405454588,1.95884205,1.177468332,0.601748242,0.270913902,1.795518836,1.559749519,1.134540686,1.094828256,0.61826556,0.235747272,0.270913902,0.270913902,3.62505275,3.385882231,2.743244102,2.704236987,2.338630486,1.645015008,1.224475737,0.943918427,1.588670208,1.304440663,0.76031856,0.728433467,0.201931579,0.298174876,0.943918427,0.943918427,3.455494751,3.162900118,2.464136652,2.457539916,1.941228911,1.243819504,0.459576293,0.399277246,1.782501309,1.55946311,1.058262671,1.050414563,0.640585386,0.136603837,0.399277246,0.399277246,3.659147047,3.417434266,2.839146137,2.838982085,2.401923931,1.826262654,1.208936353,1.207644823,1.54205472,1.271648549,0.631337262,0.631185395,0.143853842,0.485243556,1.207644823,1.207644823,4.75330429,3.481806505,2.959777136,2.700638745,2.612600818,1.77309196,1.248289134,0.571428571,1.709567043,1.239126283,0.898315104,0.884192385,0.048058989,0.106894073,0.571428571,0.571428571,0,0,1,0,0,4,0,1,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.491581624,0,0,0,0.577350269,0.333333333,0.666666667,0.225592232,0.117354024,0.185395406,6.568914101,3.625897658,3.365043969,1.321367205,0.666666667,0.666666667,0,0,0.821114263,0.51798538,0.420630496,0.264273441,0.166666667,0.166666667,0,0,5.600953631,2.759872254,2.196432708,0.619929799,0.284020691,0.234708048,0,0,0.700119204,0.394267465,0.274554088,0.12398596,0.071005173,0.058677012,0,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.2055,31.471,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,56,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.79032407,-0.195648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.547083333,0.5125,0,0,0,0,0,0,0,0,0,0,5.424861111,0,0.537037037,0,0,0,0.443425926,0,0,-0.195648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.12597222,4.664351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.664351852,-0.195648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.307222222,0.5125,0,0,0,0,0,0,0,0,0,0,1.419027778,0,0.537037037,0,0,0,0.443425926,0,0,-0.195648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.12597222,4.664351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.12597222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,2.002916667,0,0.537037037,0,0,0,0.443425926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.12597222,4.664351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21,2.625,0.635763889,10.12597222,0.243055556,-0.195648148,2.818434259,1.862314815,3.125972222,8.592314815,1.862314815,3.125972222,8.592314815,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.5,0.27273,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,6.04835,0.75604,8.87961,2.83126,0.35391,2.51961,0.31495,3.62588,1.10628,0.13828,0.28812,0.03601,0.28812,0.03601,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,2.070950594,3.10869497,3.00869497,2.946439345,2.67650216,25.90923688,41.41901189,62.17389939,60.17389939,58.92878689,53.5300432,0.299741647,0.479172848,0.719284287,0.696146466,0.681741871,0.619284287,3.026466251,2.2509775,1.213233125,1.313233125,1.37548875,1.645425935,0.299741647,0.479172848,0.719284287,0.696146466,0.681741871,0.619284287,12.01211119,21.71746765,22.76333241,21.56333241,22.59980713,16.71373201,29.38046565,17.93632218,17.86882451,19.26198137,18.27863607,14.84347485,8,3.9375,7.2,8,3,3,1.9,1.0284,0.814325285,1.310370697,3,0,0,1.414213562,0,0.333333333,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.426,0.519,0.065,3.13,8,5,4,4,0,0,0,0,0,36,2.197224577,2.397895273,1.945910149,1.791759469,1.945910149,0,0,0,0,0,3.784189634,1.194444444,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,5,0.666666667,2.5,0.666666667,0.25,0.32,0,0,0,0,0,0,0.357142857,0.083333333,0.05,0.08,0,0,0,0,0,0,0.57047619,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,26.3,127.2763612,4,3.433987204,4.043051268,4.779123493,5.424950017,6.150602768,6.814542897,7.529943371,8.204398418,8.912338567,70.292938,2.708050201,0,3.850147602,0,5.105945474,0,6.408528791,0,7.738488122,8.049746291,116.0837296,5.804186481,14.50192071,1.812740089,5.187384288,5.187384288,0,74,5,1.319,30,1.230631579,2.106969338,2.891394189,3.534280412,4.70866819,5.445084558,6.043125667,0,0,0,94.58963281,111.4719746,98.19792716,89.49677329,193.5969383,63.67120234,6.140202438,0,0,0,279.0386343,327.0398364,369.304079,358.3677751,673.8222885,516.863806,187.8429738,0,0,0,9.500427541,16.20575331,22.3546341,26.49594064,35.05156906,41.85973882,40.60052224,0,0,0,1.953218228,2.41165857,2.902557631,2.93763535,5.258026931,4.743423404,2.686851657,0,0,0,180.0610686,338.2248173,472.7925657,611.1885011,753.7051487,903.0653125,1117.480609,0,0,0,3.700763158,6.618384046,8.072776514,7.67289162,14.75681212,17.37342364,6.043125667,0,0,0,0.448387105,0.580936933,0.714285757,0.712590466,1.226809629,1.156212646,0.618816068,0,0,0,365.9441333,265.5177252,12.41733603,148.2352149,-107.5548792,-17.59424438,217.7089184,373.0726045,30.0115804,0.711705234,0.516391267,0.024149815,0.288294766,-0.20917775,-0.034218108,188.1609159,136.5237309,6.384737744,76.21948616,-55.30249769,-9.046597104,0.356033055,0.434911676,1.948236147,2.526701316,461.8310716,52.34827657,0.898190628,0.101809372,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,991.881167,31.49414496,9.972863652,1.643851874,1.643851874,552.7014709,477.7378699,114.048935,1.156913667,4.846178273,4.188884972,4.103894073,4.208298788,7.348221114,0.746126281,3.360032699,4.293013073,3.504398044,12.93381634,3.824305707,4.264564764,4.413597623,5.729413631,2.008295237,5.120155455,3.136939542,4.009776634,0.515527032,0.199769212,7.10E-19,4.87E-58,6.44E-119,1.64E-201,8.08E-306,0,0,0,0,0,0,0,0,0,0,0,0.298491782,4.443993404,0.304848237,6.166463103,0.285963536,1.480691179,2.239329552,0.616584963,0.332639884,0.343977924,1.082407555,0.126688863,0.003630989,0.001406991,5.00E-21,3.43E-60,4.54E-121,1.16E-203,5.69E-308,0,0,0,0,0,0,0,0,0,0,0,0.91615042,4.162909882,0.708127691,5.93816184,0.553551875,1.886736894,1.902006801,1.260705174,0.633779091,0.823708076,1.375433557,0.547226043,0.037836998,0.01466193,5.21E-20,3.57E-59,4.73E-120,1.21E-202,5.93E-307,0,0,0,0,0,0,0,0,0,0,0,3.176711882,4.443578521,3.785973304,13.53020203,4.140046848,4.052629791,4.668539044,5.685817906,1.921683843,5.449326303,2.966464908,3.640425854,0.459325366,0.177990771,6.33E-19,4.34E-58,5.74E-119,1.46E-201,7.20E-306,0,0,0,0,0,0,0,0,0,0,0,1.342655413,4.056106829,0.918748019,6.170155128,0.702175944,2.21223836,1.883870222,1.732457344,0.854203784,1.098051951,1.614101992,0.946391022,0.082186795,0.031847671,1.13E-19,7.76E-59,1.03E-119,2.62E-202,1.29E-306,0,0,0,0,0,0,0,0,0,0,0,4.057749124,4.388478536,4.794092697,16.0412393,5.55395065,5.163870431,5.649292984,7.600812534,2.418609724,7.255431511,3.818881215,5.526773361,0.751847432,0.291344621,1.04E-18,7.10E-58,9.39E-119,2.40E-201,1.18E-305,0,0,0,0,0,0,0,0,0,0,0,2.084250999,4.145853739,2.727349975,16.56119818,3.066735376,2.640305289,5.839345454,4.835976509,1.496275855,6.371391772,2.380750416,1.727449384,0.168335739,0.065230763,2.32E-19,1.59E-58,2.10E-119,5.37E-202,2.64E-306,0,0,0,0,0,0,0,0,0,0,0,5.246219739,1.235661534,0.504843958,0.750883936,0.17685847,0.535022762,0.460545602,0.437019916,6.986725231,9.754890527,20.01429293,0.626325904,1.432588279,4.146190481,0.841072677,0.168310457,0.804215164,0.163138525,0.36357879,0.216882457,0.044682374,5.155573615,4.326656069,10.06916991,0.706322746,0.625143621,4.661931703,0.970242092,0.301703296,0.785646826,0.163508963,0.430144192,0.294516089,0.157611902,5.933877091,6.222447766,13.52098992,0.678470239,0.882272183,5.133749376,1.229215348,0.489004931,0.749237027,0.179395912,0.515063629,0.46206025,0.411499455,6.851969655,9.42200465,19.35983186,0.623855541,1.388623334,4.924704547,1.034956281,0.364324296,0.778734366,0.163655711,0.473396442,0.327852502,0.229974862,6.323985124,7.268103142,15.44899598,0.668101549,1.031223805,5.296809362,1.271467903,0.529225181,0.746292009,0.179143003,0.545205995,0.486758455,0.479582267,7.097502445,10.21082081,20.87250831,0.619438014,1.511546717,5.189226436,1.247441552,0.493780921,0.748757621,0.179994336,0.526571189,0.476516444,0.41982378,6.930448909,9.651560528,19.77838008,0.623136431,1.422911413 +UMLS0061,L,"2-Methylpropyl ester, acetic acid",CC(C)COC(=O)C,8038,"""2-methylpropylacetate""","Sandia, UML",[11],C6H12O2,UML,smiles code is result of acetic acid reacting with isobutyl alcohol (esterification) to produce 2-methylpropyl ester aka isobutyl ethanoate,-3.6,0,-1.0318,1.06461124,29.9531,22.457102,0,0,22,8,14,0,7,0,1,0,0,0,0,0,0,0,1280.041744,1227.247947,1382.165159,1110.286345,871.245024,674.488295,477.731566,127.119888,9.144576,3616.181511,4450.143542,5558.086517,5261.104989,4194.768219,3187.969874,2181.171529,1120.963057,279.7536999,160.193824,154.923828,281.542892,350.83678,299.84916,236.96426,174.07936,111.43008,60.466176,26.39008467,33.66236034,45.56728387,45.44269842,37.48454303,28.46301417,19.44148531,10.95324725,4.001516144,3661.858907,3057.825133,6158.531007,7977.410827,7052.408754,5573.453599,4094.498444,2583.794029,1664.258868,82.77777778,51.25,82.33333333,106.5833333,79.33333333,67.16666667,57.5,39,9,58.18371564,58.44037843,35.44013228,23.13096552,20.74392914,20.43903924,19.90548192,8.4746592,1.016064,164.3718869,211.9115972,142.5150389,109.6063539,99.87543379,96.6051477,90.88214705,74.73087045,31.08374443,7.281537455,7.377325143,7.219048513,7.309099583,7.139265714,7.180735152,7.253306667,7.428672,6.718464,1.199549303,1.60296954,1.168391894,0.946722884,0.89248912,0.862515581,0.810061888,0.730216483,0.444612905,166.4481321,145.6107206,157.9110515,166.1960589,167.9144941,168.8925333,170.6041018,172.2529352,184.917652,3.762626263,2.44047619,2.111111111,2.220486111,1.888888889,2.035353535,2.395833333,2.6,1,0.130042668,-0.042913628,0.007138899,-0.034234336,9.40E-04,0.002579621,0.017319699,-0.022255787,0.00640401,687.3645011,-46.5210804,-72.60977875,-221.8907881,16.29493174,13.910715,11.52649826,-201.8222386,157.4294903,1066.90404,-96.33311012,-292.1129994,-212.2517092,10.42921586,10.11149942,9.793782976,-205.448519,242.3598194,1.085692364,-0.003217983,0.098766083,-0.341654612,-0.022351603,-0.041345455,-0.060339306,-0.257861157,0.085157851,4.734521863,-0.459492824,-1.753681784,-0.487085141,-0.038301025,-0.039038854,-0.039776682,-0.502546511,0.95266189,26.12162368,-2.544279046,-10.26560835,-1.972169627,-0.371318606,-0.383189342,-0.395060079,-2.098475248,4.969288461,34.27272727,-0.449724518,4.243801653,-10.31473829,-1.79338843,-2.621212121,-0.20661157,-8.110192837,2.115702479,0.00591103,-0.002043506,1.83E-04,-7.13E-04,2.24E-05,7.82E-05,7.22E-04,-0.001483719,7.12E-04,31.24384096,-2.215289543,-1.861789199,-4.622724752,0.387974565,0.421536818,0.480270761,-13.4548159,17.49216559,48.49563818,-4.587290958,-7.490076907,-4.421910608,0.248314663,0.306409073,0.408074291,-13.69656794,26.92886883,0.049349653,-1.53E-04,0.002532464,-0.007117804,-5.32E-04,-0.001252893,-0.002514138,-0.017190744,0.009461983,0.215205539,-0.021880611,-0.0449662,-0.010147607,-9.12E-04,-0.001182996,-0.001657362,-0.033503101,0.105851321,1.187346531,-0.121156145,-0.263220727,-0.041086867,-0.008840919,-0.011611798,-0.016460837,-0.13989835,0.552143162,1.55785124,-0.021415453,0.108815427,-0.214890381,-0.042699725,-0.07943067,-0.008608815,-0.540679522,0.235078053,-0.345710643,0.030967306,-0.120658377,0.00378706,0.013224487,0.122086012,-0.25100854,0.120377765,-0.07090324,-0.059588999,-0.147956353,0.012417633,0.013491837,0.015371694,-0.430638983,0.559859641,-0.094591826,-0.154448466,-0.091181615,0.00512035,0.006318281,0.00841466,-0.282428863,0.555284348,-0.003105134,0.051316747,-0.144232107,-0.010783886,-0.025388072,-0.050945399,-0.34834579,0.191733536,-0.101673083,-0.208945363,-0.047153094,-0.00423748,-0.00549705,-0.007701297,-0.155679546,0.491861508,-0.102039415,-0.22168821,-0.034603939,-0.007445947,-0.00977962,-0.013863549,-0.117824364,0.465022761,-0.01374679,0.069849691,-0.137940245,-0.027409372,-0.050987327,-0.005526083,-0.347067492,0.15089891,1.102779345,0.747219064,1.270405729,0.78093421,0.925698295,1.111637904,1.843255234,0.005021832,1.244484016,1.05569469,1.133228943,0.873779649,0.88791681,0.912656843,1.426332617,0,1.493214171,1.267214504,1.015778816,0.891219282,0.865720914,0.82109877,1.05049221,0,0.532603912,0.53828678,1.397899097,0.796636348,0.986099193,1.317659171,2.273277111,0,1.567567372,1.344764791,0.96903397,0.892000022,0.864727245,0.816999884,0.900908704,0,1.571413854,1.354213064,0.962198666,0.890357717,0.866817451,0.825621983,0.879035732,0,0.537356322,0.500790655,1.398858864,0.803603006,1.01193634,1.290354222,2.328381963,0,38.48821105,19.36910553,31.20270986,38.67571105,4.834463881,19.36910554,0.25,0.128049772,0.016006221,-1.644269,36.54814632,4.56851829,2.878904375,38.49003605,19.36965081,31.20343009,38.67698523,4.834623154,19.36965083,0.249265579,0.128025474,0.016003184,-1.644420813,36.54564474,4.568205593,2.878849616,40.11561809,19.8583118,31.86308443,39.81637223,4.977046528,19.85831181,-0.398994478,0.105249425,0.013156178,-1.801137812,34.67768391,4.334710489,2.836877092,38.49195144,19.37022312,31.20418603,38.67832254,4.834790318,19.37022313,0.2484948,0.127999971,0.015999996,-1.644580193,36.54302033,4.567877541,2.878792165,41.85664283,20.38717428,32.61453841,41.04492213,5.130615266,20.38717429,-1.082294264,0.077953027,0.009744128,-2.041319081,33.38002212,4.172502765,2.806366065,38.67943632,19.42628525,31.27841353,38.80928696,4.85116087,19.42628527,0.173134186,0.125489424,0.015686178,-1.660427033,36.29137075,4.536421343,2.873263994,42.92529297,21.49724112,35.34947233,43.25068979,5.406336224,21.49724113,0.650793651,0.1682138,0.021026725,-1.42601559,42.15105476,5.268881845,2.993007767,0,11.89,15.99491639,-0.29950256,0.191097625,4.075949464,7.093772518,7,21,20,20,6,1,1,0,0,1,16.262898,3.543250725,3.253617839,2.743805569,2.201568877,1.964764008,1.510071644,1.167641386,0.083923071,1.884290479,1.663007589,1.405119386,1.081734443,0.7571706,0.553700828,0.204129328,0.083923071,3.522074052,3.239123791,2.771689043,2.258112233,1.871002897,1.533883657,1.274054557,0.270913902,1.837219222,1.621836125,1.317653186,0.972265271,0.647656414,0.424408863,0.308618633,0.270913902,3.659704981,3.410222095,2.993203798,2.554162556,2.252125409,1.966074992,1.756205763,0.943918427,1.653511117,1.395480873,1.02018324,0.600266577,0.208482349,0.072909525,0.20748838,0.943918427,3.531321568,3.247923952,2.801694323,2.305977951,1.882879937,1.55899181,1.348229181,0.399277246,1.811046793,1.59574924,1.261298847,0.900812078,0.595470171,0.378459371,0.258279227,0.399277246,3.704241438,3.464434174,3.088259503,2.682400736,2.345414943,2.097092476,1.946549764,1.207644823,1.606161072,1.341521304,0.928881965,0.476036759,0.090131028,0.197118509,0.372475596,1.207644823,4.90316099,3.438808139,3.042051582,2.814291152,2.366652171,1.825746756,1.499424853,0.6,1.758709722,1.414728787,1.091705729,0.765167683,0.393068111,0.149974021,0.483218408,0.6,0,0,0,1,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.144337567,0,0,0,0.288675135,0.204124145,0.144337567,0.102062073,0.072168784,0.051031036,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,5.736675415,3.264784317,2.159121884,1.132392159,0.623945479,0.301031036,0.176031036,0,0.717084427,0.46639776,0.308445983,0.226478432,0.15598637,0.100343679,0.088015518,0,11.50759373,21.54552076,20.42745098,20.72,13.07012096,169.3523066,0.523072442,0.979341853,0.928520499,0.941818182,0.594096407,7.697832118,2.1557,34.823,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,2,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.31856859,0.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.450093537,0.802777778,0,0,0,0,0,0,0,0,0,0,3.787496221,0,4.242592593,0,0,0,0,0,0,0.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.31856859,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.31856859,0.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.232454649,0.401388889,0,0,0,0,0,0,0,0,0,0,1.648472222,0,0.771666667,0,0,0,0,0,0,0.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.31856859,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.31856859,0.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.139023998,0,1.201666667,0,0,0,0,0,0,0.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.31856859,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.66666667,2.333333333,0.533864796,10.31856859,0.232454649,0.318009259,3.636288691,1.348657407,3.318568594,6.915185185,1.348657407,3.318568594,6.915185185,3.83333,0.47917,0,0.02083,0.4803,0.79583,0.42308,0.4803,0.79583,0.05723,0,-0.05723,0,0.60209,0.1122,0,0.34783,0.13043,0,5.25,0.65625,3.75,0.46875,1.5,0.1875,-2.25,-0.28125,0,0,6.51929,0.81491,8.40872,1.88944,0.23618,3.02767,0.37846,3.77005,0.74238,0.0928,0.14395,0.01799,0.14395,0.01799,0,7.01,1,1,1,1,0,0,0.857142857,1.143320102,1.820438145,3.140361164,3.447401505,3.226730915,3.240160728,25.15304225,40.0496392,69.0879456,75.8428331,70.98808013,71.28353601,0.256382472,0.408222011,0.704206597,0.773058497,0.72357448,0.726586033,3.316111517,2.638993473,1.319070455,1.012030114,1.232700704,1.219270891,0.256382472,0.408222011,0.704206597,0.773058497,0.72357448,0.726586033,9.968326343,18.09374286,20.8004582,19.73343726,19.51103992,19.67219767,29.50877429,19.35137167,17.52471905,18.40974974,19.03382426,14.4107264,8,5.142857143,7.2,8,1,7,2.12,1.1106,0.166666667,2.955737938,0.894427191,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,3.887,7,5,4,3,2,0,0,0,0,36,2.197224577,2.302585093,1.945910149,1.791759469,1.609437912,1.386294361,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,17.07,135.7821191,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,114.1044651,5.186566594,14.66595917,1.833244896,2.373458674,2.373458674,0,79,5,2.145,28,1.233333333,2.128002271,2.889690752,3.608751467,4.938009559,5.961721737,7.291460153,8.255697228,0,0,82.62061363,84.81333219,76.9323435,93.25974354,113.9745592,133.1158753,63.19201738,8.388316748,0,0,286.274389,326.7476734,344.0010185,418.8097446,518.4318869,587.4762091,560.8890361,256.6179827,0,0,9.129617831,15.45046199,21.17921893,25.84480125,35.52604756,43.22279348,54.02572322,55.46560462,0,0,2.113145198,2.620301546,2.895162439,3.607671405,4.529154009,5.143273543,5.479572975,3.670589526,0,0,177.4424221,332.3208193,476.8418876,592.7456637,825.436735,1005.507883,1248.204637,1526.624147,0,0,3.069384921,4.722156399,6.530114634,6.974510315,10.20268718,14.38874849,18.68399538,8.255697228,0,0,0.449709286,0.578803732,0.656732485,0.803298333,1.030066045,1.202906758,1.321995093,0.845383396,0,0,393.8661834,207.246668,12.89390315,178.2411308,-93.78789555,-19.29706751,215.6250526,301.0345636,32.19097066,0.688448082,0.362251387,0.02253756,0.311551918,-0.163934096,-0.033729804,225.3337243,118.5673346,7.376696299,101.9730546,-53.65674103,-11.03999347,0.246250531,0.569150925,5.47518271,21.50904066,534.3158608,37.7914534,0.933943419,0.066056581,506.3771674,22.50282577,7.970606549,641.9956726,25.33763352,8.626686854,806.9568368,28.40698571,9.310009021,2.247883265,2.247883265,791.3023655,738.9006555,72.4603393,1.070918478,10.92048938,10.19731156,4.38167396,4.466158665,8.870202886,0.986092199,3.917822784,5.778255412,2.25187352,18.93229316,6.810190792,0.161427262,3.908353839,9.710023548,10.41317777,0.530634648,3.334841376,3.678362393,5.006159901,1.515761749,3.019771037,0.079465769,0.371059075,1.19E-17,7.34E-56,8.75E-116,2.01E-197,8.92E-301,0,0,0,0,0,0,0,0,0.345289482,5.778031215,0.152968713,5.363040119,0.137185079,0.003043962,0.630944674,0.381355181,4.179301107,0.025683825,0.028730175,1.238745885,0.335663268,0.93913404,0.04400544,5.64E-04,0.002613399,8.37E-20,5.17E-58,6.16E-118,1.42E-199,6.28E-303,0,0,0,0,0,0,0,0,1.067258616,5.777928829,0.517528773,6.142146546,0.62148376,0.016290493,1.269969927,1.450269226,4.413163224,0.095330436,0.254421752,1.256312142,0.841520166,1.056835239,0.28004972,0.005844402,0.027233637,8.72E-19,5.39E-57,6.42E-117,1.48E-198,6.54E-302,0,0,0,0,0,0,0,0,3.70321596,5.778289294,2.100785387,17.97213993,6.340825812,0.145520081,3.722261728,8.997610035,10.77094491,0.487897399,2.973547033,3.898808684,5.253090023,1.480460728,2.706217363,0.070805803,0.330606956,1.06E-17,6.54E-56,7.80E-116,1.79E-197,7.95E-301,0,0,0,0,0,0,0,0,1.565367409,5.777907687,0.786752537,7.204226786,1.15127264,0.030913056,1.718833358,2.392968042,4.755334646,0.153065112,0.542715719,1.384840796,1.146406576,1.137633663,0.552355025,0.012683267,0.059155098,1.89E-18,1.17E-56,1.40E-116,3.21E-198,1.42E-301,0,0,0,0,0,0,0,0,4.731361413,5.77842984,2.836942321,25.1450796,9.889402568,0.230127229,4.669844672,13.29377758,13.10355059,0.702297305,4.852966851,4.627778621,7.008658784,1.646465868,4.329890646,0.115878039,0.541154789,1.73E-17,1.07E-55,1.28E-115,2.93E-197,1.30E-300,0,0,0,0,0,0,0,0,2.465203933,5.413144136,1.191257498,13.48735761,4.071786819,0.065325156,2.59278055,5.0824883,13.26421586,0.242455962,1.211598907,6.560487732,6.355701569,1.729488715,1.193586117,0.028629665,0.133581267,4.28E-18,2.64E-56,3.15E-116,7.24E-198,3.21E-301,0,0,0,0,0,0,0,0,7.625333006,0.78791567,0.452338377,0.86010469,0.088873491,0.547581639,0.508165617,0.545435764,8.865587053,9.813754616,21.39704463,0.790157035,1.60118302,6.564592811,0.59303533,0.087846848,0.906026564,0.081849062,0.412030362,0.258342614,0.020571649,7.245474989,4.521810536,12.10927642,0.859039846,0.690944626,6.964289877,0.591647918,0.234278744,0.893978985,0.075947557,0.457169943,0.287821503,0.146312865,7.790216539,5.890603225,14.64614368,0.840968478,0.891304311,7.575274368,0.81362674,0.435977007,0.858399886,0.092196938,0.540430376,0.54476577,0.50669184,8.824878114,9.820813784,21.33281254,0.787599829,1.591887986,7.173709287,0.603136736,0.304005241,0.88774178,0.074637772,0.48461874,0.298752882,0.246364927,8.080851264,6.690929555,16.08712869,0.83161267,1.029736549,7.704904495,0.823603037,0.478484324,0.855435934,0.091440411,0.559072135,0.555141014,0.610312364,9.006991856,10.4265399,22.46988933,0.783153902,1.724525512,7.602142026,0.820139342,0.435662308,0.858228761,0.092588006,0.544296877,0.553757631,0.505960619,8.857943676,9.904086298,21.4783042,0.787343141,1.604015127 +UMLS0062,L,2-Heptanone,CCCCCC(=O)C,8051,Co optima database values measured by NREL,Sandia,,C7H14O,PubChem,,-9.1,0,-1.0494,1.10124036,23.4438,19.895102,0,0,20,6,14,0,6,0,0,0,0,0,0,0,0,0,879.809622,890.819837,853.57306,675.105483,478.348754,281.592025,84.835296,9.144576,0,2976.273833,3723.897138,4529.110611,4081.819666,3075.021321,2068.222976,1061.424631,279.7536999,0,139.301592,137.349428,253.934608,311.98206,249.09716,186.21226,123.32736,60.466176,0,22.95798067,29.53412034,40.09970387,39.0812073,30.05967844,21.03814958,12.01662072,4.001516144,0,3349.613265,2777.687448,5725.049994,7574.612576,6095.657421,4616.702266,3137.747111,1664.258868,0,31,36.75,55.5,61.25,49,37,24,9,0,43.9904811,46.88525458,23.71036278,15.00234407,13.28746539,10.42933426,4.713072,1.016064,0,148.8136916,195.9945862,125.8086281,90.70710369,85.41725893,76.60085098,58.96803508,31.08374443,0,6.9650796,7.228917263,7.053739111,6.932934667,6.919365556,6.89675037,6.85152,6.718464,0,1.147899033,1.554427386,1.113880663,0.868471273,0.834991068,0.779190725,0.66759004,0.444612905,0,167.4806632,146.1940762,159.0291665,168.3247239,169.3238172,170.9889728,174.3192839,184.917652,0,1.55,1.934210526,1.541666667,1.361111111,1.361111111,1.37037037,1.333333333,1,0,0.028984089,-0.004413788,-0.012762229,-8.59E-05,3.83E-05,-2.27E-04,-0.001768116,0.004726855,0,508.4772378,-59.32234441,-213.0761758,-18.15990135,-19.37056144,-20.58122153,-21.79188162,98.06346729,0,945.5351364,-110.3124326,-396.2242477,-33.76911202,-36.02038615,-38.27166028,-40.52293442,182.3532049,0,0.0996072,-0.01162084,-0.04174016,-0.0035574,-0.00379456,-0.00403172,-0.00426888,0.01920996,0,4.226981996,-0.4931479,-1.771306741,-0.150963643,-0.161027886,-0.171092128,-0.181156371,0.815203671,0,22.96103329,-2.678787217,-9.621766332,-0.820036903,-0.87470603,-0.929375157,-0.984044284,4.428199278,0,2.2,-0.69,-0.66,0.05,0.04,0.28,-0.48,0.36,0,0.001449204,-2.32E-04,-3.55E-04,-1.91E-06,1.06E-06,-8.41E-06,-9.82E-05,5.25E-04,0,25.42386189,-3.122228653,-5.918782662,-0.403553363,-0.538071151,-0.762267464,-1.21066009,10.89594081,0,47.27675682,-5.805917504,-11.0062291,-0.750424711,-1.000566282,-1.417468899,-2.251274134,20.26146721,0,0.00498036,-6.12E-04,-0.001159449,-7.91E-05,-1.05E-04,-1.49E-04,-2.37E-04,0.00213444,0,0.2113491,-0.025955153,-0.049202965,-0.003354748,-0.004472997,-0.006336745,-0.010064243,0.090578186,0,1.148051665,-0.140988801,-0.267271287,-0.018223042,-0.02429739,-0.034421302,-0.054669127,0.492022142,0,0.11,-0.036315789,-0.018333333,0.001111111,0.001111111,0.01037037,-0.026666667,0.04,0,-0.160298047,-0.244621349,-0.001317419,7.34E-04,-0.005805296,-0.067781105,0.362409973,0,-0.122807018,-0.232804233,-0.015873016,-0.021164021,-0.029982363,-0.047619048,0.428571429,0,-0.122807018,-0.232804233,-0.015873016,-0.021164021,-0.029982363,-0.047619048,0.428571429,0,-0.122807018,-0.232804233,-0.015873016,-0.021164021,-0.029982363,-0.047619048,0.428571429,0,-0.122807018,-0.232804233,-0.015873016,-0.021164021,-0.029982363,-0.047619048,0.428571429,0,-0.122807018,-0.232804233,-0.015873016,-0.021164021,-0.029982363,-0.047619048,0.428571429,0,-0.330143541,-0.166666667,0.01010101,0.01010101,0.094276094,-0.242424242,0.363636364,0,1.703412306,1.346838172,0.878190572,0.86706897,0.856170017,0.849963494,0,0,1.666666667,1.382275132,0.904761905,0.87962963,0.837742504,0.753968254,0,0,1.666666667,1.382275132,0.904761905,0.87962963,0.837742504,0.753968254,0,0,1.666666667,1.382275132,0.904761905,0.87962963,0.837742504,0.753968254,0,0,1.666666667,1.382275132,0.904761905,0.87962963,0.837742504,0.753968254,0,0,1.666666667,1.382275132,0.904761905,0.87962963,0.837742504,0.753968254,0,0,1.931818182,1.079545455,0.767676768,0.839646465,0.87962963,1.439393939,0,0,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,27.71532755,13.80210822,22.59542027,27.64125348,4.606875579,13.80211063,-0.111111111,1.11E-16,1.85E-17,-22.04208034,17.92897903,2.988163172,1.731851007,0,11.89,12.11007471,-0.170505165,0.049778506,5.038149357,6.699886583,5,19,19,19,5,0,0,0,0,0,15.304898,3.436281324,3.053015046,2.504096255,1.916358167,1.43391761,1.146847431,0.083923071,0.083923071,1.888548119,1.647951451,1.299263214,0.941680442,0.676640099,0.532894083,0.083923071,0.083923071,3.467521827,3.095177584,2.563348322,1.997662592,1.539036202,1.269940792,0.270913902,0.270913902,1.823869772,1.56562057,1.194989707,0.814897509,0.531179783,0.376646566,0.270913902,0.270913902,3.603669566,3.277764969,2.815596863,2.335009351,1.961838325,1.752167171,0.943918427,0.943918427,1.630594176,1.313531503,0.864013097,0.398039556,0.038578938,0.162221585,0.943918427,0.943918427,3.490474213,3.126113473,2.606620839,2.056575709,1.614413172,1.357364362,0.399277246,0.399277246,1.78241689,1.512301266,1.126481593,0.730495519,0.433323325,0.270879703,0.399277246,0.399277246,3.669198442,3.364561497,2.932470728,2.486225297,2.144866309,1.95552884,1.207644823,1.207644823,1.569371074,1.232013665,0.753158019,0.252901533,0.139147927,0.361314188,1.207644823,1.207644823,3.493977399,3.213334155,2.722251257,2.161020711,1.718428664,1.473804317,0.6,0.6,1.762609021,1.413761131,0.988653497,0.594869471,0.296896665,0.126026718,0.6,0.6,0,0,0,0,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,9.792794627,19.21485798,18.07843137,18.32,11.58988144,154.455091,0.489639731,0.960742899,0.903921569,0.916,0.579494072,7.722754551,2.5866,29.816,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,4.463611111,0,5.536388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.231805556,0,1.355,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.231805556,0,1.413194444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,1.666666667,0.2,2.231805556,0.2,1.355,4.596819444,0.145,0.231805556,0.927222222,0.145,0.231805556,0.927222222,3,0.5,0,0,0.42,0.7,0.42,0.42,0.7,0,0,0,0,0.71429,0,0,0.33333,0,0,2.5,0.41667,2.5,0.41667,0,0,-2.5,-0.41667,0,0,5.31294,0.88549,5.31294,0,0,2.91421,0.4857,2.91421,0,0,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,1,0.881290899,1.156779649,2.046439345,2.246439345,1.760964047,1.628771238,17.62581798,23.13559299,40.92878689,44.92878689,35.21928095,32.57542476,0.203911514,0.267653608,0.473501479,0.519777122,0.407448715,0.376862179,3.440637196,3.165148445,2.27548875,2.07548875,2.560964047,2.693156857,0.207463733,0.27231624,0.481750062,0.528831845,0.414546633,0.383427267,6.616095946,9.921960949,13.01701725,11.02014727,10.53087311,8.944559395,23.80204551,20.17438566,19.31564911,21.97319159,21.98911105,14.8301699,6,5,5.333333333,6,0,6,2.12,0.954,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,2.768,4,3,2,1,0,0,0,0,0,21,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,0,3.091042453,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.6,5,1,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,112.3323665,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,86.10955045,4.305477522,10.83915043,1.806525072,0,0,0,35,3,3.754,18,1.220894737,2.104070296,2.834050251,3.556820544,4.881273756,5.8487974,7.058444873,0,0,0,67.74862772,56.37357056,51.90472243,61.30004991,59.84703514,30.60323554,7.171831732,0,0,0,263.8372191,284.3497531,282.0632149,355.5308871,405.7006726,367.801601,219.4028965,0,0,0,8.859366903,14.89057627,19.6976071,24.77500676,33.76222334,40.18247011,47.42190778,0,0,0,2.030985313,2.466953736,2.60830871,3.32096827,4.016553242,4.087795125,3.138275679,0,0,0,176.3944505,331.0174697,473.6018424,589.7652507,827.274887,1010.85064,1305.231053,0,0,0,2.427907895,3.333899572,3.962337209,5.154990984,6.929041593,8.072260541,7.058444873,0,0,0,0.422269342,0.524366032,0.561891348,0.715934702,0.874478508,0.904865382,0.722784755,0,0,0,371.672533,129.2254233,9.068523388,158.7213439,-55.18522632,-9.513656563,212.9511891,184.4106496,18.58217995,0.700748159,0.243640488,0.017097715,0.299251841,-0.104045745,-0.017936965,197.1328357,68.54037323,4.809889277,84.18482894,-29.26990613,-5.045985188,0.07590715,0.187427247,1.576789125,12.44883377,530.3938769,0,1,0,310.4078457,17.6183951,6.770866172,446.0263509,21.11933595,7.640471717,448.2314128,21.1714764,7.653041995,2.517099006,2.517099006,439.289369,422.950533,36.39746535,1.038630607,12.06922968,11.6203293,3.714891546,4.466158665,7.63628977,0.709811572,3.904607748,4.742666667,2.113749516,15.95453913,7.51712365,0.143498814,2.772933281,8.479263225,4.128385499,1.14813862,2.188724667,0.073937918,1.544812114,1.267677695,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.327686671,4.742376672,0.141012467,4.09564635,0.055826524,0.001179269,0.400410397,0.334057283,2.006488095,0.045156318,0.017870597,0.008212694,0.127880219,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.05781252,4.742396602,0.479177174,5.015209275,0.559120835,0.010889559,0.884653971,1.327155112,2.345797934,0.17950658,0.166288302,0.012653829,0.413976048,0.093040371,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,3.685631203,4.742635023,1.970157411,14.69751032,6.699606821,0.127944204,2.627675359,7.743768261,3.965295942,1.048495653,1.951571477,0.066739285,1.456961205,1.129478003,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,1.559021026,4.742421941,0.730471884,6.092165063,1.207391242,0.023297864,1.217083562,2.207677715,2.606579016,0.298691829,0.355674901,0.018367328,0.611301281,0.202096118,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,4.715379333,4.742799601,2.671319746,21.21170237,10.95361546,0.208859005,3.31077362,11.47139688,4.769915791,1.553540596,3.185169978,0.104196167,1.871341804,1.848788779,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,2.409700782,4.353605973,1.10314419,8.23115965,2.713282391,0.051975439,1.711691777,3.694844283,3.395844781,0.500122112,0.797985751,0.035092097,1.103999159,0.45636397,1.29E-06,2.88E-33,1.23E-81,1.02E-151,1.63E-243,0,0,0,0,0,0,0,0,0,0,0,5.672933615,0.731154087,0.497572215,0.821966553,0.105938875,0.558961207,0.55695773,0.59997934,6.901659917,7.334284703,16.29976898,0.73294983,1.715898277,4.795134677,0.306135575,0.116399265,0.919018474,0.058672856,0.399871135,0.097072507,0.032834056,5.217669516,2.061745418,7.450284552,0.878527711,0.529777697,5.160908206,0.483481404,0.275302884,0.87182032,0.081673398,0.462914907,0.242862792,0.183673109,5.919692494,4.049119885,10.655749,0.80773048,0.889450808,5.652853217,0.721452622,0.48885876,0.823651121,0.105119528,0.555023015,0.542232007,0.57914973,6.863164599,7.194401023,16.05126157,0.735476682,1.676404752,5.316424902,0.558774506,0.342832262,0.855001258,0.089863567,0.491124774,0.324723371,0.28483111,6.218031671,4.984890603,12.22136814,0.782501887,1.100679255,5.735302567,0.761280769,0.524634206,0.816852993,0.108425749,0.571282404,0.603944185,0.667017548,7.021217542,7.77450539,17.08636797,0.72527949,1.842244137,5.675684185,0.721998554,0.489837932,0.824053307,0.104827062,0.55948857,0.543149712,0.581472098,6.887520671,7.231663455,16.12645953,0.73607996,1.68411038 +UMLS0063,L,Hexane,CCCCCC,8058,,"Sandia, UML",[1],C6H14,PubChem,,-1.2,0,-1.728,2.985984,17.4696,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,1010.869782,1162.251222,747.748011,169.670592,12.192768,0,0,0,2914.106344,3917.940807,5481.28267,4770.239364,2122.849263,373.0049332,0,0,0,125.864664,130.65468,256.377048,354.687852,246.65472,80.621568,0,0,0,22.06875486,30.09593172,46.12614087,45.76247316,24.03324144,5.335354858,0,0,0,2979.777961,2598.236709,5545.213194,8493.347862,6275.494221,2219.011824,0,0,0,25.5,31.5,55.5,66.75,42,12,0,0,0,48.76541633,56.15943233,32.28475617,14.66172571,4.713072,1.016064,0,0,0,161.8947969,217.6633782,152.2578519,93.53410519,58.96803508,31.08374443,0,0,0,6.992481333,7.258593333,7.121584667,6.954663765,6.85152,6.718464,0,0,0,1.226041937,1.671996207,1.281281691,0.897303395,0.66759004,0.444612905,0,0,0,165.54322,144.3464838,154.0336998,166.5362326,174.3192839,184.917652,0,0,0,1.416666667,1.75,1.541666667,1.308823529,1.166666667,1,0,0,0,0.025088129,2.17E-18,-0.012544065,-0.00836271,-3.25E-18,0.00836271,0,0,0,484.264036,5.04E-13,-242.132018,-161.4213453,-6.15E-13,161.4213453,0,0,0,900.5096538,2.98E-13,-450.2548269,-300.1698846,-4.33E-13,300.1698846,0,0,0,0.094864,1.35E-15,-0.047432,-0.031621333,-1.35E-15,0.031621333,0,0,0,4.025697139,2.94E-15,-2.01284857,-1.341899046,-4.00E-15,1.341899046,0,0,0,21.86765075,6.44E-14,-10.93382538,-7.289216918,-6.84E-14,7.289216918,0,0,0,1,-3.47E-16,-0.5,-0.333333333,1.80E-16,0.333333333,0,0,0,0.001393785,1.20E-19,-3.48E-04,-1.64E-04,-9.04E-20,6.97E-04,0,0,0,26.90355756,2.80E-14,-6.725889389,-3.165124418,-1.71E-14,13.45177878,0,0,0,50.0283141,1.66E-14,-12.50707852,-5.885684011,-1.20E-14,25.01415705,0,0,0,0.005270222,7.53E-17,-0.001317556,-6.20E-04,-3.74E-17,0.002635111,0,0,0,0.223649841,1.63E-16,-0.05591246,-0.026311746,-1.11E-16,0.111824921,0,0,0,1.214869486,3.58E-15,-0.303717372,-0.142925822,-1.90E-15,0.607434743,0,0,0,0.055555556,-1.93E-17,-0.013888889,-0.006535948,5.01E-18,0.027777778,0,0,0,8.64E-17,-0.25,-0.117647059,-6.48E-17,0.5,0,0,0,1.04E-15,-0.25,-0.117647059,-6.35E-16,0.5,0,0,0,3.31E-16,-0.25,-0.117647059,-2.41E-16,0.5,0,0,0,1.43E-14,-0.25,-0.117647059,-7.10E-15,0.5,0,0,0,7.31E-16,-0.25,-0.117647059,-4.96E-16,0.5,0,0,0,2.94E-15,-0.25,-0.117647059,-1.56E-15,0.5,0,0,0,-3.47E-16,-0.25,-0.117647059,9.02E-17,0.5,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,0,11.9,12.1000824,-0.152797442,0.047284962,6.45375,6.653832404,6,18,18,18,6,0,0,0,0,0,13.118484,3.573186822,2.750129472,2.750129472,1.456797487,1.456797487,1.056465515,0.083923071,0.083923071,1.972542445,1.372874417,1.372874417,0.666206401,0.666206401,0.489263751,0.083923071,0.083923071,3.600648477,2.792995694,2.792995694,1.556142907,1.556142907,1.185878035,0.270913902,0.270913902,1.914964133,1.285229005,1.285229005,0.522081792,0.522081792,0.329734575,0.270913902,0.270913902,3.72034929,2.981537655,2.981537655,1.9628467,1.9628467,1.687973407,0.943918427,0.943918427,1.74405498,1.018928274,1.018928274,0.037619229,0.037619229,0.223569137,0.943918427,0.943918427,3.620820476,2.824624264,2.824624264,1.62787375,1.62787375,1.27745173,0.399277246,0.399277246,1.878174485,1.228596505,1.228596505,0.425347018,0.425347018,0.22154323,0.399277246,0.399277246,3.778078745,3.072480534,3.072480534,2.141548494,2.141548494,1.897819044,1.207644823,1.207644823,1.690174221,0.933903671,0.933903671,0.135164289,0.135164289,0.429566078,1.207644823,1.207644823,3.666666667,2.896805253,2.896805253,1.786299648,1.786299648,1.474809634,0.666666667,0.666666667,1.808142967,1.119632981,1.119632981,0.230138587,0.230138587,1.46E-16,0.666666667,0.666666667,0,0,0,0,0,0,6,0,0,0,0,0,0.125,0,0,0,0,0.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.3406,27.702,21,27,42,7,21,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,36,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,1.5,0.2,1.5,0.2,1.5,4.338,0,0,0,0,0,0,3,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0,0,0,3,0.5,3,0.5,0,0,-3,-0.5,0,0,5,0.83333,5,0,0,3,0.5,3,0,0,-0.086,-0.01433,0,0,0.333333333,6,0,0,0,0,0,0,1,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,16.52932501,16.52932501,16.52932501,16.52932501,16.52932501,16.52932501,0.220218789,0.220218789,0.220218789,0.220218789,0.220218789,0.220218789,3.251629167,3.251629167,3.251629167,3.251629167,3.251629167,3.251629167,0.220218789,0.220218789,0.220218789,0.220218789,0.220218789,0.220218789,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,23.69925001,23.69925001,23.69925001,23.69925001,23.69925001,23.69925001,4.166666667,2.222222222,1.333333333,0,0,0,2.12,0.8454,0,0,0,0,9.125465128,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.071,0.064,0.277,0.248,3.124,6,6,6,6,0,0,0,0,0,36,1.945910149,1.945910149,1.945910149,1.945910149,1.945910149,0,0,0,0,0,3.610917913,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,13,18,3,9.000420062,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,0,99.97590776,3.584962501,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,65.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921172722,84.09390038,4.671883355,11.8125,1.96875,0,0,0,27,3,3.414,24,1.215665947,2.074379101,2.769165856,3.596574681,4.089693115,0,0,0,0,0,77.3164608,74.52439015,41.96284432,16.39683731,4.155389945,0,0,0,0,0,285.7401037,335.9609385,270.4409159,207.9038666,127.1229756,0,0,0,0,0,8.852968597,14.81260568,19.31492079,24.62206198,27.47645596,0,0,0,0,0,2.147256838,2.776238206,2.577511614,2.367619398,1.818330336,0,0,0,0,0,173.6750992,316.7529272,456.6693335,628.5407219,756.2564483,0,0,0,0,0,2.178748381,3.259578383,3.694505166,4.171025122,4.089693115,0,0,0,0,0,0.444517095,0.584941195,0.556932658,0.526378009,0.418784575,0,0,0,0,0,290.9713009,92.17524248,7.681270207,76.20008249,-24.13901666,-4.023169444,214.7712184,116.3142591,11.70443965,0.792467262,0.251041466,0.020920122,0.207532738,-0.065743186,-0.010957198,106.8363351,33.84411129,2.820342608,27.9784897,-8.863156141,-1.47719269,0.083333333,0.166666667,1.81032095,0.471729772,367.1713834,0,1,0,434.5588978,20.84607632,7.574422894,550.8033308,23.46919962,8.197199771,642.6816409,25.35116646,8.62975828,1.169090596,1.154177849,182.6124473,110.2037714,101.5087077,1.657043538,1.798983076,1.085658303,3.079233852,3.651473827,4.684853365,0.283003408,3.347426595,3.674795795,4.905934579,8.466492148,13.26323839,3.209175198,6.437626672,0.50634263,9.37E-05,2.52E-29,1.32E-75,1.33E-143,2.61E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.281494244,3.674127838,0.388853104,2.220720186,0.746388657,0.243584491,0.046575979,0.003566213,6.60E-07,1.78E-31,9.29E-78,9.39E-146,1.84E-235,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.9073164,3.674173318,1.270328772,2.643423609,2.631529279,0.803280818,0.475658966,0.037162684,6.87E-06,1.85E-30,9.68E-77,9.79E-145,1.92E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.159732414,3.674722759,4.615054378,7.782653239,12.26000737,3.011476539,5.736660006,0.451142167,8.35E-05,2.25E-29,1.18E-75,1.19E-143,2.33E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336923691,3.674231519,1.887476386,3.18662964,4.124501233,1.201047437,1.030155174,0.080722316,1.49E-05,4.03E-30,2.10E-76,2.13E-144,4.16E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.042373668,3.675102714,5.999223782,11.34074458,17.24679984,3.959498418,9.384644447,0.738453138,1.37E-04,3.68E-29,1.92E-75,1.95E-143,3.81E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.231824381,3.674423282,3.20451608,4.979628373,7.754366674,2.065050348,2.864737904,0.225041169,4.16E-05,1.12E-29,5.86E-76,5.93E-144,1.16E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.720708356,1.540540271,0.622950455,0.443002102,0.396617227,0.592858473,0.540562305,0.424527571,3.884199082,4.682416834,10.21794576,0.259428993,1.557948348,1.137361705,1.034426015,0.172942371,0.485071484,0.441170614,0.258820991,0.243723903,0.032483827,2.344730091,1.552110653,4.100310303,0.389363148,0.535028721,1.369017678,1.235438217,0.35170131,0.463107197,0.417920338,0.375104478,0.347649494,0.13477387,2.956157205,2.607327309,6.158329868,0.321541302,0.857527842,1.70626349,1.528010311,0.611812367,0.443636314,0.397289672,0.582935372,0.531804754,0.409422214,3.846086168,4.585956914,10.02715307,0.261388978,1.52416234,1.472289886,1.325037604,0.431367945,0.456001477,0.410394114,0.433890576,0.399904231,0.20300516,3.228695436,3.157516875,7.227741921,0.299593387,1.036799966,1.76593219,1.579768228,0.657820025,0.441094835,0.39459477,0.624468349,0.568442316,0.473597785,4.003520443,4.990632298,10.82931508,0.253534408,1.66650845,1.710082389,1.531322963,0.61475705,0.443467419,0.397110599,0.585550657,0.534113107,0.413388993,3.856162402,4.611365223,10.0773848,0.260867028,1.533052757 +UMLS0064,L,Cyclohexane,C1CCCCC1,8078,[9] has RON of 84,"Sandia, UML",[1],C6H12,PubChem,,5.8,0,0.403,0.162409,25.0454,17.22793,0,0,16,6,10,0,6,0,0,0,0,0,0,0,0,0,875.745366,986.655606,1111.790742,692.207211,137.327904,8.128512,0,0,0,2851.938855,3688.467574,4960.168716,4093.706688,1644.706075,248.6699554,0,0,0,112.427736,116.419416,214.469592,279.188076,178.671744,53.747712,0,0,0,21.17952905,27.8688431,40.78273782,38.19600558,18.24924958,3.556903239,0,0,0,2609.942657,2291.991614,4562.887699,6586.434107,4489.90791,1479.341216,0,0,0,27,32.75,53.5,59.25,33,8,0,0,0,54.73408538,61.66597537,37.0596914,17.30518028,5.281842462,1.016064,0,0,0,178.2461784,230.5292234,165.3389572,102.3426672,63.25792595,31.08374443,0,0,0,7.0267335,7.2762135,7.1489864,6.9797019,6.871990154,6.718464,0,0,0,1.323720566,1.741802694,1.359424594,0.95490014,0.701894215,0.444612905,0,0,0,163.121416,143.2494759,152.0962566,164.6608527,172.6887658,184.917652,0,0,0,1.6875,2.046875,1.783333333,1.48125,1.269230769,1,0,0,0,0.035879452,1.34E-04,-0.01831324,-0.010018029,3.74E-04,0.009884073,0,0,0,453.9975338,3.84E-13,-215.6488285,-136.1992601,-11.34993834,136.1992601,0,0,0,844.2278004,1.28E-13,-401.0082052,-253.2683401,-21.10569501,253.2683401,0,0,0,0.088935,1.38E-15,-0.042244125,-0.0266805,-0.002223375,0.0266805,0,0,0,3.774091068,1.28E-15,-1.792693257,-1.13222732,-0.094352277,1.13222732,0,0,0,20.50092258,5.02E-14,-9.737938226,-6.150276775,-0.512523065,6.150276775,0,0,0,2,0.25,-0.875,-0.75,-0.125,0.5,0,0,0,0.002242466,8.37E-06,-6.10E-04,-2.50E-04,1.44E-05,0.001235509,0,0,0,28.37484586,2.40E-14,-7.188294284,-3.404981503,-0.43653609,17.02490752,0,0,0,52.76423752,7.99E-15,-13.36694017,-6.331708503,-0.8117575,31.65854251,0,0,0,0.005558437,8.60E-17,-0.001408137,-6.67E-04,-8.55E-05,0.003335062,0,0,0,0.235880692,7.98E-17,-0.059756442,-0.028305683,-0.003628934,0.141528415,0,0,0,1.281307661,3.14E-15,-0.324597941,-0.153756919,-0.019712426,0.768784597,0,0,0,0.125,0.015625,-0.029166667,-0.01875,-0.004807692,0.0625,0,0,0,0.003733518,-0.272218804,-0.111685424,0.006406312,0.550960084,0,0,0,8.45E-16,-0.253333333,-0.12,-0.015384615,0.6,0,0,0,1.51E-16,-0.253333333,-0.12,-0.015384615,0.6,0,0,0,1.55E-14,-0.253333333,-0.12,-0.015384615,0.6,0,0,0,3.38E-16,-0.253333333,-0.12,-0.015384615,0.6,0,0,0,2.45E-15,-0.253333333,-0.12,-0.015384615,0.6,0,0,0,0.125,-0.233333333,-0.15,-0.038461538,0.5,0,0,0,1.154792043,1.311020534,1.019188882,0.794976307,0.094471504,0,0,0,1.25,1.333333333,1,0.769230769,0,0,0,0,1.25,1.333333333,1,0.769230769,0,0,0,0,1.25,1.333333333,1,0.769230769,0,0,0,0,1.25,1.333333333,1,0.769230769,0,0,0,0,1.25,1.333333333,1,0.769230769,0,0,0,0,1.0546875,1.3125,1.078125,0.793269231,0,0,0,0,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,21.59580837,9.436456808,14.31225401,21.59580837,3.599301396,9.436862402,-0.111111111,0.145144578,0.024190763,-1.158014968,22.36835534,3.728059223,1.864588351,0,11.9,12.1000824,-0.164817529,0.042219604,6.532585361,6.775229999,6,16,15,15,5,1,1,0,0,1,10.93207,3.613534503,2.766129411,2.670733644,1.426915667,1.280358167,0.745385601,0.083923071,0.083923071,1.956102786,1.306637636,1.289247512,0.613571465,0.574012486,0.259946685,0.083923071,0.083923071,3.635963716,2.800130939,2.714019583,1.523146265,1.388936179,0.882843159,0.270913902,0.270913902,1.904564498,1.216636457,1.211610963,0.471095317,0.422928919,0.092720276,0.270913902,0.270913902,3.735659072,2.952913657,2.905601615,1.920183444,1.829282018,1.415929732,0.943918427,0.943918427,1.755782541,0.983897868,0.943775969,0.006408762,0.090576956,0.490411682,0.943918427,0.943918427,3.652542714,2.825381442,2.746030809,1.592839035,1.467119469,0.980162006,0.399277246,0.399277246,1.871998278,1.162145352,1.158511608,0.37555048,0.321126922,0.020920637,0.399277246,0.399277246,3.784885575,3.028693114,2.99852718,2.095780148,2.020397398,1.637930713,1.207644823,1.207644823,1.710226487,0.913781604,0.857043734,0.175873707,0.276154994,0.708677935,1.207644823,1.207644823,3.70535128,2.898715639,2.750631765,1.693321354,1.575987379,1.172323917,0.6,0.6,1.83694185,1.119307666,1.046222152,0.22999262,0.183294425,0.21942738,0.6,0.6,0,0,0,2,0,0,4,0,0,0,0,0,0.125,0,0,0,0,0.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,3.983127663,2.649829914,1.755861571,1.15824829,0.760079655,0.5,0,0,0.663854611,0.441638319,0.292643595,0.193041382,0.126679943,0.083333333,0,0,8.709139019,15.43918427,14.62745098,14.8,9.992772455,121.8839701,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,2.04279,27.338,21,27,42,7,21,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,36,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,4,2,0,2,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.534722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.632638889,0,0,1.067361111,0.580555556,0,0.632638889,0,0,0,0,0,0,0,0,0,0,5.465277778,0,4.534722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.243402778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,0,0,1.319444444,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.290277778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,0,0,1.413194444,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,1.666666667,0.316319444,2.267361111,0.243402778,1.319444444,3.903986111,0.180555556,0.267361111,1.069444444,0.180555556,0.267361111,1.069444444,3,0.5,0,0,0.45,0.7,0.43333,0.43333,0.7,0.01667,0.01667,0,0,0.71429,0,0,0,0,0,4,0.66667,3,0.5,1,0.16667,-2,-0.33333,0,0,4.06658,0.67776,5,0.93342,0.15557,2.45711,0.40952,3,0.54289,0.09048,-0.086,-0.01433,0,0,0.375,6,0,0,0,0,0,0,0.666666667,0.954434003,2,2.5,2.5,2.5,2.5,15.27094405,32,40,40,40,40,0.238608501,0.5,0.625,0.625,0.625,0.625,3.045565997,2,1.5,1.5,1.5,1.5,0.233502796,0.489301084,0.611626355,0.611626355,0.611626355,0.611626355,6.794779896,14.3818469,14.88575942,14.88575942,14.88575942,14.88575942,23.34095565,18.25,18.25,18.25,18.25,18.25,4.166666667,2.222222222,1.333333333,0,2,0,2.12,0.8024,0,0,0,0,9.125465128,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.093,0.088,0.377,0.384,3.064,6,6,6,6,0,0,0,0,0,36,2.079441542,2.197224577,2.302585093,2.397895273,2.48490665,0,0,0,0,0,3.951243719,1.416666667,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,13,18,3,9.000420062,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,0,97.33944905,3.584962501,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,65.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921172722,82.07825032,5.129890645,11.8125,1.96875,0,0,0,27,3,2.898,24,1.286936261,2.275065463,3.045601428,3.84949883,4.532904867,0,0,0,0,0,93.9252279,94.06960818,53.8150092,19.94454114,4.60572145,0,0,0,0,0,330.7071423,402.474825,321.5908996,240.5855778,140.8996564,0,0,0,0,0,9.410629108,16.31781763,21.30693373,26.43975728,30.45415816,0,0,0,0,0,2.426230269,3.248692958,2.989133528,2.678545282,2.015388,0,0,0,0,0,181.4513105,342.2803903,497.5287393,665.877226,838.2141248,0,0,0,0,0,2.737411054,4.165488916,4.597849607,4.852030788,4.532904867,0,0,0,0,0,0.500046334,0.681569136,0.643190798,0.593103484,0.464169458,0,0,0,0,0,242.435527,83.40823319,8.511748464,52.8651831,-18.18789339,-4.081485751,189.5703439,101.5961266,12.59323421,0.820978476,0.282451854,0.028824003,0.179021524,-0.061591093,-0.013821456,71.59138327,24.63051049,2.513525365,15.61112611,-5.370897834,-1.20526564,0.165373633,0.25558303,4.163263164,7.065174885,295.3007101,0,1,0,361.2160785,19.00568542,7.12178772,458.5110639,21.41287145,7.711104817,536.3589506,23.15942466,8.124909099,1.591158247,1.138944581,211.8600743,127.6170743,109.9160316,1.660123267,1.927472009,1.1610415,3.317739965,3.820078341,5.196394925,0.360284911,2.952467598,2.263616531,3.443858116,12.12771831,9.317275169,6.9358737,7.159935865,2.410155523,1.266887611,1.19E-04,9.14E-29,1.57E-74,5.30E-142,3.45E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.247913349,2.263447887,0.379470893,3.666571163,3.904138074,0.491047765,0.360400875,0.016975429,0.008922793,8.40E-07,6.44E-31,1.11E-76,3.73E-144,2.43E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.79997053,2.263459501,0.985108747,4.898160853,4.60084078,1.645145652,1.321879013,0.17689308,0.092982383,8.75E-06,6.71E-30,1.16E-75,3.89E-143,2.53E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.786896725,2.263598138,3.249229565,11.43443763,8.841467136,6.484218024,6.592808645,2.147405529,1.128774053,1.06E-04,8.14E-29,1.40E-74,4.72E-142,3.07E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.178940479,2.263474247,1.406759638,5.890735988,5.200318464,2.485329129,2.108526014,0.384234162,0.201970161,1.90E-05,1.46E-29,2.51E-75,8.45E-143,5.50E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.565502017,2.263693796,4.172460898,14.89365929,11.24295583,8.67299328,9.431048075,3.514983669,1.847636516,1.74E-04,1.33E-28,2.30E-74,7.73E-142,5.03E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.724264565,2.043236862,2.398474834,7.423130172,6.508416274,3.791344942,3.597253837,0.867657208,0.45607954,4.29E-05,3.29E-29,5.67E-75,1.91E-142,1.24E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.006735584,1.859520329,0.523146333,0.457177418,0.423638624,0.451826091,0.512962296,0.309917736,4.389402245,5.754183214,12.09574032,0.321224063,1.274706122,1.413652651,1.182850501,0.156335159,0.513525493,0.429683972,0.224206395,0.207605264,0.027297005,2.752838311,2.07806448,5.092317025,0.414814198,0.459108664,1.635970335,1.436577288,0.294004789,0.485948274,0.426720607,0.300181725,0.306152154,0.097148349,3.366552413,3.253541544,7.311063373,0.369003322,0.703482228,1.990639793,1.841170618,0.513210115,0.458142782,0.423742674,0.444581904,0.502882376,0.298176079,4.345020526,5.631631359,11.85762213,0.322828185,1.245640359,1.740454894,1.555805948,0.358633677,0.476198392,0.425677387,0.339734953,0.359062645,0.144905715,3.654894519,3.889960222,8.515966625,0.352813669,0.843703314,2.057642801,1.917545608,0.554565088,0.454250502,0.423322287,0.47514535,0.545501506,0.34855026,4.529753497,6.150124626,12.8679834,0.316359183,1.369197116,1.997472511,1.840329017,0.51400663,0.458998292,0.42288836,0.447573162,0.502434673,0.299144436,4.351808158,5.648662054,11.88996199,0.322829979,1.249152271 +UMLS0065,L,cyclohexene,C1CCC=CC1,8079,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C6H10,PubChem,,20.5,0,-0.2281,0.05202961,23.255,14.936344,0,0,14,6,8,0,5,0,1,0,0,0,0,0,0,0,985.417118,1058.241166,1170.205774,697.642055,115.057152,4.064256,0,0,0,2582.645241,3217.419542,4130.394749,3229.301399,1163.284404,124.3349777,0,0,0,104.802008,107.170888,191.327944,219.96074,128.832768,26.873856,0,0,0,18.14460724,22.74263448,31.2484987,27.88826194,12.19693088,1.778451619,0,0,0,2298.764282,2038.844463,3914.762988,4987.172163,3138.28036,739.6706081,0,0,0,35,36.75,58.5,55.25,28,4,0,0,0,70.386937,75.58865471,46.80823096,23.25473517,6.392064,1.016064,0,0,0,184.4746601,229.8156816,165.21579,107.64338,64.62691132,31.08374443,0,0,0,7.485857714,7.655063429,7.65311776,7.332024667,7.157376,6.718464,0,0,0,1.296043374,1.624473891,1.249939948,0.929608731,0.677607271,0.444612905,0,0,0,164.1974487,145.6317473,156.5905195,166.2390721,174.3489089,184.917652,0,0,0,2.5,2.625,2.34,1.841666667,1.555555556,1,0,0,0,0.155780344,-0.03001935,-0.047153135,-0.012832825,1.80E-04,0.011934706,0,0,0,480.0001234,23.93825486,-200.9974523,-132.9940112,-29.96399669,100.0171436,0,0,0,703.208428,-52.78314186,-271.0083,-171.7802629,-0.568480494,144.5359712,0,0,0,1.006693714,0.021013714,-0.308297633,-0.193929388,-0.090627918,0.068494367,0,0,0,3.155024204,-0.551406672,-1.057056844,-0.633247101,0.1226619,0.541536615,0,0,0,17.60532202,-3.547217023,-5.599446076,-3.282935253,0.84704424,2.779893101,0,0,0,6.428571429,1.035714286,-1.908163265,-2.096938776,-0.979591837,0.734693878,0,0,0,0.011127167,-0.002144239,-0.001886125,-4.28E-04,1.00E-05,0.002983676,0,0,0,34.2857231,1.709875347,-8.039898091,-4.433133707,-1.664666483,25.0042859,0,0,0,50.22917343,-3.770224418,-10.840332,-5.726008764,-0.03158225,36.13399281,0,0,0,0.071906694,0.00150098,-0.012331905,-0.006464313,-0.005034884,0.017123592,0,0,0,0.225358872,-0.039386191,-0.042282274,-0.021108237,0.00681455,0.135384154,0,0,0,1.257523002,-0.253372645,-0.223977843,-0.109431175,0.047058013,0.694973275,0,0,0,0.459183673,0.073979592,-0.076326531,-0.069897959,-0.054421769,0.183673469,0,0,0,-0.192703068,-0.169506338,-0.038442923,9.01E-04,0.268143389,0,0,0,0.049871351,-0.234496967,-0.1292997,-0.04855276,0.729291484,0,0,0,-0.075060451,-0.215817447,-0.113997671,-6.29E-04,0.719382589,0,0,0,0.02087399,-0.171498711,-0.089898625,-0.070019689,0.23813627,0,0,0,-0.17477098,-0.187621962,-0.093664991,0.030238659,0.600749164,0,0,0,-0.201485495,-0.178110335,-0.087021212,0.037421195,0.552652535,0,0,0,0.161111111,-0.166222222,-0.152222222,-0.118518519,0.4,0,0,0,1.084752426,1.358830192,0.898438886,0.810751306,0.074005284,0,0,0,0.967587004,1.234922033,1.021922742,0.884613824,0,0,0,0,1.23459213,1.200117629,0.989483988,0.779347212,0,0,0,0,0.847985541,1.379366594,0.972026069,0.860180862,0,0,0,0,1.406567765,1.20688573,0.953997819,0.695331859,0,0,0,0,1.446584752,1.213788475,0.943076608,0.672822407,0,0,0,0,0.722222222,1.294222222,1.044814815,0.954938272,0,0,0,0,16.74760758,7.82144727,11.6520611,16.74760758,2.791267931,7.823155305,0.25,0.063561946,0.010593658,-1.65344419,21.54644904,3.59107484,1.842126615,16.74844728,7.82298364,11.65422093,16.74844728,2.791407879,7.824688214,0.249265579,0.063619934,0.010603322,-1.652897055,21.54713969,3.591189949,1.842145847,18.88779907,9.23488445,13.74677787,18.75480091,3.125800152,9.235201402,-0.398994478,0.099543305,0.016590551,-1.384297505,18.21345264,3.03557544,1.741296286,16.74933066,7.824596251,11.65648825,16.74933066,2.791555111,7.826297201,0.2484948,0.063680645,0.010613441,-1.652324763,21.5478443,3.591307384,1.842165467,23.00476907,10.81242483,16.38278057,22.64400431,3.774000719,10.81249083,-1.082294264,0.18318402,0.03053067,-1.018358436,50.18210123,8.363683539,2.349395048,16.84619677,7.983147996,11.88091559,16.84619677,2.807699461,7.984531433,0.173134186,0.068991197,0.011498533,-1.60426582,21.52035038,3.586725063,1.84139941,19.70510501,8.154383252,12.58446438,19.70510501,3.284184168,8.156322065,0.414285714,0.003016331,5.03E-04,-3.482228391,26.38995713,4.398326188,1.963790116,0,11.99687761,15.99741729,-0.376622818,0.076563261,5.518438093,6.525760863,6,14,13,13,5,1,1,0,0,1,10.661656,3.582833994,2.766112948,2.546770855,1.313848635,1.074876922,0.545958811,0.083923071,0.083923071,1.861865872,1.289592921,1.048324898,0.582468855,0.296505294,0.083923071,0.083923071,0.083923071,3.548227946,2.800126578,2.449521375,1.413917705,1.062017481,0.452600516,0.270913902,0.270913902,1.843318929,1.211677749,1.019387725,0.433364447,0.149294136,0.270913902,0.270913902,0.270913902,3.690426719,2.95286547,2.740455183,1.848554307,1.553578817,1.094330097,0.943918427,0.943918427,1.661262971,0.983824016,0.66884406,0.074172869,0.4098025,0.943918427,0.943918427,0.943918427,3.549939419,2.825381392,2.44238405,1.489836002,1.118544834,0.43193193,0.399277246,0.399277246,1.831877601,1.162110566,1.000085829,0.333081052,0.054236832,0.399277246,0.399277246,0.399277246,3.724820994,3.028602209,2.801588298,2.036130554,1.731762247,1.208341272,1.207644823,1.207644823,1.624118166,0.9137525,0.599366198,0.256731305,0.596870173,1.207644823,1.207644823,1.207644823,3.775567032,2.882802022,2.803335827,1.599799781,1.489950737,1.046113226,0.588235294,0.588235294,1.728315802,1.067433182,0.760368502,0.206930839,0.165479701,0.588235294,0.588235294,0.588235294,0,0,1,1,0,1,2,0,0,0,0,0,0.125,0,0,0,0,0.048112522,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,3.684269172,2.265959019,1.384804361,0.825429599,0.488641942,0.288675135,0,0,0.614044862,0.377659836,0.230800727,0.1375716,0.081440324,0.048112522,0,0,7.88211032,13.8820102,13.25098039,13.44,8.674457485,107.0102359,0.56300788,0.991572157,0.946498599,0.96,0.619604106,7.643588281,1.23669,24.056,21,27,42,7,21,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,36,0,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,1,0,2,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.888888889,3.8125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.99375,0,0,1.200694444,0.352777778,0,0.99375,0,0,0,0,0,0,0,0,0,0,3.298611111,0,3.8125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.888888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.888888889,1.767361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.427430556,0,0,0.352777778,0.352777778,0,0.427430556,0,0,0,0,0,0,0,0,0,0,0.913194444,0,1.767361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.888888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.888888889,2.045138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.566319444,0,0,0.493402778,0.352777778,0,0.566319444,0,0,0,0,0,0,0,0,0,0,1.194444444,0,2.045138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.888888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,2,0.566319444,4.888888889,0.305555556,0.913194444,2.657430556,0.586805556,1.388888889,2.868055556,0.586805556,1.388888889,2.868055556,2.83333,0.47222,0,0.02778,0.52619,0.82778,0.43333,0.49792,0.82778,0.09286,0.02827,-0.06458,0,0.57047,0.14382,0,0,0,0,5,0.83333,3.5,0.58333,1.5,0.25,-2,-0.33333,0,0,3.19857,0.5331,5,1.80143,0.30024,1.95328,0.32555,3,1.04672,0.17445,-0.086,-0.01433,0,0,0.428571429,6.01,1,1,1,1,0,0,0.6,1.263809174,2.556656707,3.378783493,3.378783493,3.378783493,3.378783493,17.69332843,35.7931939,47.30296891,47.30296891,47.30296891,47.30296891,0.331938892,0.671504695,0.887435914,0.887435914,0.887435914,0.887435914,2.543545748,1.250698215,0.428571429,0.428571429,0.428571429,0.428571429,0.3234821,0.654396801,0.864826749,0.864826749,0.864826749,0.864826749,11.18095047,21.59928596,22.42784591,22.42784591,22.42784591,22.42784591,21.78168418,14.27964528,13.28446114,13.28446114,13.28446114,13.28446114,4.166666667,2.222222222,1.333333333,0,3,0,1.9,0.7202,0,0,0,0,6.083643419,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.424,0.418,0.562,0.397,2.924,6,6,6,6,0,0,0,0,0,36,2.079441542,2.197224577,2.302585093,2.397895273,2.48490665,0,0,0,0,0,3.951243719,1.416666667,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,13,18,3,9.000420062,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,9.23,88.83369113,3.584962501,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,65.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921172722,84.05751488,6.004108205,11.8125,1.96875,2.9375,2.9375,0,27,3,1.115,24,1.308864216,2.300632352,3.116454489,4.014047624,4.774513292,0,0,0,0,0,114.846402,119.8233617,72.94590177,24.69595505,4.851211073,0,0,0,0,0,333.6338713,409.5192865,346.5031558,254.7345587,148.4097509,0,0,0,0,0,10.11398962,17.64707097,22.91646803,28.60518121,32.07739567,0,0,0,0,0,2.289566495,3.04569768,2.990897678,2.695471747,2.122810224,0,0,0,0,0,188.1154147,355.8906388,513.5603624,700.8222421,882.8917874,0,0,0,0,0,3.644731871,5.535843033,5.843430925,6.107005933,4.774513292,0,0,0,0,0,0.514714634,0.70159544,0.690602096,0.632359816,0.488910161,0,0,0,0,0,229.4305442,108.0159677,11.32811866,51.0629643,-24.04045862,-10.0494286,178.3675799,132.0564263,21.37754727,0.817953133,0.385092576,0.040386384,0.182046867,-0.085707718,-0.035827669,64.35377831,30.29777776,3.177463748,14.32283001,-6.743192584,-2.818799488,0.188405126,0.750534897,7.081274491,18.40334269,255.973206,24.52030247,0.912581569,0.087418431,409.0720111,20.2255287,7.423349737,486.9929244,22.06791618,7.867574857,602.213091,24.54003038,8.444683892,1.168293108,1.036298759,214.3802122,128.4662423,107.3988812,1.668766894,1.996112156,1.196159969,3.275874116,3.511567905,5.001891855,0.424404138,2.394522202,2.23026856,6.788774496,8.586255264,5.549843779,6.000698854,4.97462757,1.864348043,2.00953565,1.91E-11,5.54E-44,3.40E-98,4.08E-174,9.48E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.200956851,2.641499821,0.624561735,3.330334297,2.537114575,0.498036943,0.280485607,0.01313079,0.014153324,1.35E-13,3.90E-46,2.39E-100,2.88E-176,6.67E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.648710018,1.876809159,1.530045856,3.324053318,2.57121827,1.39079833,0.974492668,0.136832687,0.147488547,1.40E-12,4.07E-45,2.49E-99,3.00E-175,6.95E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.260233864,2.639920004,6.972582625,8.820378078,5.659454329,6.094434954,4.643073553,1.661100565,1.790460086,1.70E-11,4.94E-44,3.03E-98,3.64E-174,8.44E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.956078629,1.586219307,2.082452864,3.673093469,2.720180719,1.942230181,1.516851144,0.297218796,0.320364833,3.05E-12,8.83E-45,5.42E-99,6.51E-175,1.51E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.891732217,2.489739463,8.966385767,10.48475138,6.948612933,7.774254771,6.503449825,2.718976294,2.930718887,2.79E-11,8.08E-44,4.96E-98,5.95E-174,1.38E-271,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.367593281,4.089236646,4.745861482,7.996157181,4.781167633,4.182674738,2.655300818,0.645103207,0.695341055,6.62E-12,1.92E-44,1.18E-98,1.41E-174,3.28E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.274313156,1.490995656,0.525030898,0.53010095,0.347523916,0.618045437,0.563210742,0.46048828,4.290339711,5.367894506,11.43860929,0.316437299,1.64174446,1.450206578,1.218313041,0.12847137,0.518488112,0.435579895,0.242930012,0.338737957,0.029697321,2.796990989,2.109633957,5.133608879,0.431102011,0.61136529,1.835996257,1.235248319,0.281564661,0.547599379,0.368421891,0.393831306,0.391481918,0.138354909,3.352809237,3.132665227,7.124038136,0.374031905,0.923668133,2.197194827,1.506986068,0.502035632,0.522368455,0.358275913,0.576536753,0.577029989,0.426763488,4.206216527,5.17077279,11.03930058,0.320966552,1.58033023,2.019337453,1.26541588,0.359482419,0.554118227,0.347237656,0.48001112,0.410216298,0.22059573,3.644235752,3.736112754,8.298934534,0.352033824,1.110823149,2.318801357,1.535121671,0.555300161,0.525897932,0.34816148,0.644382381,0.595040182,0.513387117,4.409223189,5.699726291,12.08561937,0.311089118,1.752809681,2.235957425,1.492382337,0.51002649,0.527551724,0.352112642,0.596236323,0.565675985,0.436910552,4.238366251,5.238455407,11.17873077,0.319496549,1.59882286 +UMLS0066,L,dihydropyran,C1CC=COC1,8080,,UML,[1],C5H8O,PubChem,,17.8,0,-0.1376,0.01893376,32.1441,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1201.620678,1038.308381,843.58378,646.827051,450.070322,253.313593,67.647888,3885.475125,4800.404174,5918.743752,5679.440657,4734.809801,3728.011456,2721.213111,1714.414766,791.2692929,167.819552,166.665724,297.885336,383.205812,333.75784,270.87294,207.98804,145.10314,82.617408,29.42500648,37.33900896,50.80061251,52.22949897,44.09719592,35.07566706,26.0541382,17.03260934,8.680011884,3973.037281,3337.521256,6559.333793,9116.771878,8007.652027,6528.696872,5049.741717,3570.786562,2060.036303,44.25,50,71.25,82,71.75,59.5,47.5,35,20,48.76541633,52.3287937,28.61001614,18.8783342,17.57466208,16.585309,15.00234407,12.06255205,5.637324,161.8947969,208.713225,140.9224703,103.2625574,98.64187085,95.59003733,90.70710369,81.63879838,65.93910774,6.992481333,7.246335826,7.092508,6.9673784,6.953288333,6.94546,6.932934667,6.909673333,6.884784,1.226041937,1.623435172,1.209538393,0.949627254,0.918691582,0.899376078,0.868471273,0.811076635,0.723334324,165.54322,145.1096198,156.1746141,165.7594887,166.8260839,167.4024839,168.3247239,170.0374553,171.6696919,1.84375,2.173913043,1.696428571,1.490909091,1.494791667,1.525641026,1.583333333,1.666666667,1.666666667,0.053503502,-0.007612405,-0.024941843,0.001659595,0.00114453,1.87E-04,0.001770811,-0.001763451,-0.004526568,645.6853813,-53.80711511,-282.4873543,-26.90355756,-2.74E-13,-2.74E-13,-2.45E-13,-1.88E-13,-40.35533633,1200.679538,-100.0566282,-525.297298,-50.0283141,1.42E-13,1.42E-13,1.42E-13,8.53E-14,-75.04247115,0.126485333,-0.010540444,-0.055337333,-0.005270222,-7.38E-16,-7.38E-16,-7.24E-16,-7.17E-16,-0.007905333,5.367596186,-0.447299682,-2.348323331,-0.223649841,-3.14E-15,-2.69E-15,-2.91E-15,-2.91E-15,-0.335474762,29.15686767,-2.429738973,-12.75612961,-1.214869486,2.73E-14,2.73E-14,2.73E-14,2.73E-14,-1.822304229,5.489583333,-0.542100694,-1.346354167,-0.101128472,-0.052083333,-0.149739583,0.002604167,0.290364583,-1.286458333,0.002229313,-3.31E-04,-5.94E-04,3.02E-05,2.38E-05,4.79E-06,5.90E-05,-8.40E-05,-3.77E-04,26.90355756,-2.339439787,-6.725889389,-0.489155592,-5.70E-15,-7.01E-15,-8.17E-15,-8.97E-15,-3.362944694,50.0283141,-4.350288182,-12.50707852,-0.909605711,2.96E-15,3.64E-15,4.74E-15,4.06E-15,-6.253539262,0.005270222,-4.58E-04,-0.001317556,-9.58E-05,-1.54E-17,-1.89E-17,-2.41E-17,-3.42E-17,-6.59E-04,0.223649841,-0.019447812,-0.05591246,-0.004066361,-6.53E-17,-6.90E-17,-9.71E-17,-1.39E-16,-0.02795623,1.214869486,-0.105640825,-0.303717372,-0.022088536,5.69E-16,7.00E-16,9.10E-16,1.30E-15,-0.151858686,0.228732639,-0.023569595,-0.032056052,-0.001838699,-0.001085069,-0.003839476,8.68E-05,0.013826885,-0.107204861,-0.148464651,-0.266384094,0.013535318,0.010695838,0.002147222,0.026477682,-0.037668053,-0.169206412,-0.086956522,-0.25,-0.018181818,-2.12E-16,-2.61E-16,-3.04E-16,-3.33E-16,-0.125,-0.086956522,-0.25,-0.018181818,5.92E-17,7.28E-17,9.47E-17,8.12E-17,-0.125,-0.086956522,-0.25,-0.018181818,-2.92E-15,-3.59E-15,-4.58E-15,-6.48E-15,-0.125,-0.086956522,-0.25,-0.018181818,-2.92E-16,-3.09E-16,-4.34E-16,-6.21E-16,-0.125,-0.086956522,-0.25,-0.018181818,4.68E-16,5.76E-16,7.49E-16,1.07E-15,-0.125,-0.103044303,-0.140146381,-0.008038641,-0.004743833,-0.016785871,3.80E-04,0.060449986,-0.468690702,1.46255088,1.247155141,0.792871074,0.823120668,0.882929417,0.948883431,1.201363069,1.463148389,1.5,1.386160714,0.940909091,0.8984375,0.884615385,0.8625,0.821428571,0.8984375,1.5,1.386160714,0.940909091,0.8984375,0.884615385,0.8625,0.821428571,0.8984375,1.5,1.386160714,0.940909091,0.8984375,0.884615385,0.8625,0.821428571,0.8984375,1.5,1.386160714,0.940909091,0.8984375,0.884615385,0.8625,0.821428571,0.8984375,1.5,1.386160714,0.940909091,0.8984375,0.884615385,0.8625,0.821428571,0.8984375,1.457305503,0.885334779,0.733206831,0.796489564,0.926580061,1.099810247,1.346706425,2.44402277,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,55.64149358,27.59158012,45.54212847,55.35072685,6.918840856,27.59158012,-0.458333333,0.096068521,0.012008565,-1.874154867,32.16958652,4.021198315,2.77681719,0,11.79,12.21005852,-0.306948036,0.113285108,5.104114357,7.254850364,7,23,22,22,6,1,1,0,0,1,17.491312,3.499160109,3.261892624,2.866142824,2.367020356,1.854778102,1.428728893,1.154729458,0.911583284,1.90685943,1.724640433,1.462982189,1.163203169,0.876196978,0.658149334,0.530820245,0.349799307,3.526506373,3.292994309,2.907712769,2.425088861,1.934077794,1.531020425,1.275852041,1.039703963,1.847031613,1.657108886,1.379536666,1.05738938,0.748287346,0.512853664,0.374912327,0.188525437,3.647095365,3.43022517,3.089398352,2.675189698,2.267171913,1.946675374,1.753140211,1.541491986,1.67121938,1.457667125,1.12525037,0.723635115,0.329982017,0.022663773,0.161798045,0.36957908,3.546673641,3.315940082,2.938314837,2.467677392,1.991806547,1.604668603,1.362086193,1.130728725,1.808942169,1.614010834,1.32557352,0.988009577,0.663274327,0.415218402,0.269432974,0.079216254,3.705967436,3.497172465,3.176520053,2.792327443,2.4180915,2.128111279,1.955308783,1.75262374,1.616497054,1.395406539,1.043649345,0.612900335,0.185586541,0.153105649,0.359488595,0.576481456,3.62577018,3.361446783,3.001536348,2.52184971,2.041216797,1.662932024,1.430961668,1.275475833,1.85785137,1.572028124,1.210277112,0.869281739,0.571048337,0.327680367,0.17591631,0.076687118,0,0,1,1,0,1,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.819990956,3.523603362,2.138010441,1.261801681,0.71545183,0.380900841,0.174230856,0.072168784,0.72749887,0.503371909,0.356335073,0.252360336,0.178862957,0.126966947,0.087115428,0.072168784,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,6,1,0,2,0,0,0,0,0,0,0,0,1,1,5,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.654015023,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380644487,0.322050737,0,0,1.397304776,0.290277778,0,0.702695224,0,0,0,0,0,0,0,0,2.230069444,3.658320578,6.615915533,0,1.995694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.995694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380644487,0.322050737,0,0,0.209008291,0.290277778,0,0.322050737,0,0,0,0,0,0,0,0,2.230069444,3.658320578,1.194444444,0,1.995694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.658320578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380644487,0.322050737,0,0,0.290277778,0.290277778,0,0.380644487,0,0,0,0,0,0,0,0,2.230069444,3.658320578,1.382777778,0,1.995694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.5,1.8125,0.380644487,3.658320578,0.209008291,1.194444444,5.874401675,0.305555556,0.658320578,1.776780045,0.305555556,0.658320578,1.776780045,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.25,0,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,6.67662,0.83458,7.95768,1.28106,0.16013,3.34933,0.41867,3.91421,0.56488,0.07061,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,0.75,0.918295834,2.049104007,3.136842188,3.522055209,3.351227481,3.234697003,22.03910002,49.17849618,75.28421252,84.52932501,80.42945954,77.63272806,0.200284263,0.446918379,0.684158745,0.768175358,0.730917097,0.7055013,3.666666667,2.535858493,1.448120313,1.062907292,1.23373502,1.350265498,0.200284263,0.446918379,0.684158745,0.768175358,0.730917097,0.7055013,6.73287657,15.20065,19.04494351,18.17141227,16.51296263,17.88180548,31.59900002,22.2783271,17.20000052,17.91052656,20.46064886,18.69150037,8,7,7.2,8,2,8,2.34,1.1928,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,3.659,6,5,4,3,2,1,0,0,0,36,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,3.784189634,1.194444444,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.714285714,6,0.857142857,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,144.287877,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,112.1252005,4.671883355,14.83110795,1.853888494,0,0,0,84,5,4.526,26,1.227,2.135021502,2.87271673,3.609229398,4.944776656,5.968097746,7.284032002,8.421556588,9.604031182,0,74.89491166,68.33896335,65.97266073,82.12742441,97.47332984,106.1109762,99.29809039,50.71865096,9.758310339,0,281.0620545,321.5844338,326.6934522,419.4600868,520.3934691,599.0538661,635.0148623,579.7744956,298.5292508,0,8.925452504,15.18954941,20.06936237,25.28027084,34.46625388,41.54899984,50.45278224,58.0973361,64.52433775,0,2.127440242,2.708766954,2.900800532,3.733551311,4.749323681,5.56689376,6.177667548,6.287232216,4.270076202,0,175.9203541,330.0647106,472.4996586,588.2662477,818.7466217,991.5524744,1229.29127,1436.427438,1775.954896,0,2.737826087,3.720872609,4.419903102,5.80043007,7.863384284,9.954476016,12.63467659,14.48293826,9.604031182,0,0.440993152,0.572718043,0.620474507,0.798342017,1.02041993,1.1994567,1.341310964,1.385444896,0.983452793,0,415.7175311,210.2061087,13.19232656,173.7223507,-87.84209613,-12.06912162,241.9951804,298.0482048,25.26144818,0.70527554,0.356620099,0.022381123,0.29472446,-0.149026387,-0.020475577,245.0404923,123.9038639,7.776083408,102.3988818,-51.77763476,-7.114021619,0.111994905,0.202968794,2.311560402,5.272436358,589.4398817,0,1,0,455.2209468,21.33590745,7.692616449,610.8504609,24.71538915,8.484865622,686.8263951,26.20737291,8.8229874,2.777473789,2.777473789,964.4923415,940.4156404,44.09371502,1.025602191,21.873692,21.32765724,4.377916779,5.645455692,10.18967585,0.804934163,4.707395531,5.811914061,3.423507979,22.8915296,10.38655183,1.027386561,5.621029591,8.400079893,12.598261,0.615455517,2.064246697,6.957449928,4.169728739,4.577268803,1.829291087,3.154821331,1.076405436,2.577035344,0.054773684,1.31E-04,6.08E-29,5.43E-75,9.35E-143,3.11E-232,0,0,0,0,0,0,0.395069795,5.811642349,0.228498339,5.947207138,0.07636546,0.084819839,0.658700664,0.238179693,3.885512489,0.022869791,0.063202073,0.436718209,0.140021805,1.546726892,0.085352095,0.144811926,0.065410342,0.081404848,3.86E-04,9.26E-07,4.28E-31,3.82E-77,6.59E-145,2.19E-234,0,0,0,0,0,0,1.275307413,5.811661064,0.776374028,7.20250477,0.770566712,0.267534425,1.662630853,1.076448253,5.097705605,0.092791178,0.248709931,1.489672522,0.59032617,2.078805078,0.320444561,0.492697652,0.227498612,0.351653056,0.004020079,9.65E-06,4.46E-30,3.99E-76,6.86E-144,2.28E-233,0,0,0,0,0,0,4.443398039,5.811884427,3.191016053,21.07472045,9.256442423,0.966257644,5.314060089,7.607583937,11.86454712,0.561122292,1.862872558,6.459884848,3.791345114,4.36113328,1.67976411,2.876264282,0.99884917,2.339646622,0.048802366,1.17E-04,5.42E-29,4.84E-75,8.33E-143,2.77E-232,0,0,0,0,0,0,1.879562943,5.811684821,1.183440529,8.718462259,1.665869565,0.395837455,2.354465863,1.897669234,6.097973861,0.155944255,0.442253139,2.295056214,1.009973166,2.46974966,0.517720733,0.810646007,0.351914,0.608182478,0.008732148,2.10E-05,9.70E-30,8.66E-76,1.49E-143,4.95E-233,0,0,0,0,0,0,5.684859415,5.812038544,4.326213258,30.50340832,15.13733263,1.257609005,6.761209324,11.6668225,15.54232799,0.837127715,2.899397296,8.911401842,5.720234662,5.412274358,2.43147781,4.293247865,1.381346531,3.552044972,0.079882269,1.92E-04,8.87E-29,7.92E-75,1.36E-142,4.53E-232,0,0,0,0,0,0,2.660894079,4.505194832,1.762255734,10.3748601,3.1764498,0.462278281,3.672143472,2.911382206,7.356804651,0.224038733,0.708453377,3.493936244,1.491211858,3.931910824,0.843766728,1.644887007,0.55655195,1.051441862,0.016673084,4.00E-05,1.85E-29,1.65E-75,2.85E-143,9.45E-233,0,0,0,0,0,0,9.080188488,0.804072952,0.413783256,0.881739083,0.078080158,0.520606947,0.59589624,0.499989195,10.2980447,11.39107585,24.71020753,0.822608625,1.616492381,8.355894871,0.303918573,0.089205145,0.955066535,0.034737447,0.441044366,0.085171143,0.023237778,8.749018589,3.312011558,12.28756765,0.932599803,0.549453287,8.643324566,0.502799878,0.218117035,0.923013848,0.053693604,0.471807125,0.233279132,0.138929338,9.364241479,6.340788086,16.65293622,0.884520773,0.844015594,9.062233572,0.791713986,0.405747617,0.883284875,0.077167398,0.518552571,0.57777528,0.480758253,10.25969517,11.1729128,24.34372421,0.824927313,1.577086104,8.771545273,0.591347999,0.275578371,0.910055619,0.061352881,0.485873955,0.32265687,0.22177115,9.638471643,7.767246623,18.83515313,0.865083428,1.030301975,9.13640801,0.842758102,0.438940698,0.876973924,0.080893594,0.527066575,0.654396093,0.562634674,10.41810681,12.08004402,25.87789846,0.815460886,1.744097342,9.139061334,0.790939852,0.405754626,0.884218,0.076524626,0.527381383,0.576627893,0.480774863,10.33575581,11.25759173,24.52632369,0.826327,1.584784139 +UMLS0067,L,1-Octene,CCCCCCC=C,8125,,"Sandia, UML",[1],C8H16,PubChem,,-6,0,0.3502,0.12264004,35.1364,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1190.529654,1024.169165,840.535588,646.827051,450.070322,264.404617,81.787104,3885.475125,4800.404174,5835.09088,5502.536552,4641.558567,3728.011456,2721.213111,1798.067638,968.1733981,167.819552,166.665724,297.486168,362.651252,313.602448,270.87294,207.98804,145.502308,103.171968,29.42500648,37.33900896,50.13168111,50.22672885,42.7633572,35.07566706,26.0541382,17.70154074,10.682782,3973.037281,3337.521256,6591.128897,8593.814026,7452.899071,6528.696872,5049.741717,3538.991458,2582.994154,41,48.75,71.5,77.75,67,58,45,31.5,21,48.76541633,52.3287937,28.34594414,19.69556087,18.67856862,16.585309,15.00234407,12.59069605,5.4524736,161.8947969,208.713225,138.9307352,105.8180106,103.1457459,95.59003733,90.70710369,85.62226847,64.54489321,6.992481333,7.246335826,7.083004,6.974062538,6.968943289,6.94546,6.932934667,6.928681333,6.8781312,1.226041937,1.623435172,1.193611455,0.965898632,0.950296827,0.899376078,0.868471273,0.842930512,0.712185467,165.54322,145.1096198,156.9316404,165.2656544,165.6199794,167.4024839,168.3247239,168.5234028,172.1996103,1.708333333,2.119565217,1.702380952,1.495192308,1.488888889,1.487179487,1.5,1.5,1.4,0.048481871,-0.002709104,-0.024462217,-0.002909332,0.001969961,0.002709864,-0.001385018,-0.002710404,-3.63E-04,645.6853813,-53.80711511,-242.132018,-26.90355756,-40.35533633,-2.74E-13,-2.17E-13,-40.35533633,-40.35533633,1200.679538,-100.0566282,-450.2548269,-50.0283141,-75.04247115,1.42E-13,1.42E-13,-75.04247115,-75.04247115,0.126485333,-0.010540444,-0.047432,-0.005270222,-0.007905333,-7.38E-16,-7.24E-16,-0.007905333,-0.007905333,5.367596186,-0.447299682,-2.01284857,-0.223649841,-0.335474762,-2.69E-15,-2.69E-15,-0.335474762,-0.335474762,29.15686767,-2.429738973,-10.93382538,-1.214869486,-1.822304229,2.73E-14,2.73E-14,-1.822304229,-1.822304229,3.5,-0.3125,-1,-0.375,-0.1875,0.1875,0,-0.0625,-0.5625,0.002020078,-1.18E-04,-5.82E-04,-5.59E-05,4.38E-05,6.95E-05,-4.62E-05,-1.29E-04,-2.42E-05,26.90355756,-2.339439787,-5.765048048,-0.517376107,-0.896785252,-7.01E-15,-7.22E-15,-1.921682683,-2.690355756,50.0283141,-4.350288182,-10.72035302,-0.962082963,-1.66761047,3.64E-15,4.74E-15,-3.573451007,-5.00283141,0.005270222,-4.58E-04,-0.001129333,-1.01E-04,-1.76E-04,-1.89E-17,-2.41E-17,-3.76E-04,-5.27E-04,0.223649841,-0.019447812,-0.047924966,-0.004300958,-0.007454995,-6.90E-17,-8.97E-17,-0.015974989,-0.022364984,1.214869486,-0.105640825,-0.260329176,-0.023362875,-0.04049565,7.00E-16,9.10E-16,-0.086776392,-0.121486949,0.145833333,-0.013586957,-0.023809524,-0.007211538,-0.004166667,0.004807692,0,-0.00297619,-0.0375,-0.058308203,-0.28832241,-0.027696304,0.021670904,0.034396537,-0.022854204,-0.063892023,-0.011994419,-0.086956522,-0.214285714,-0.019230769,-0.033333333,-2.61E-16,-2.69E-16,-0.071428571,-0.1,-0.086956522,-0.214285714,-0.019230769,-0.033333333,7.28E-17,9.47E-17,-0.071428571,-0.1,-0.086956522,-0.214285714,-0.019230769,-0.033333333,-3.59E-15,-4.58E-15,-0.071428571,-0.1,-0.086956522,-0.214285714,-0.019230769,-0.033333333,-3.09E-16,-4.01E-16,-0.071428571,-0.1,-0.086956522,-0.214285714,-0.019230769,-0.033333333,5.76E-16,7.49E-16,-0.071428571,-0.1,-0.093167702,-0.163265306,-0.049450549,-0.028571429,0.032967033,0,-0.020408163,-0.257142857,1.384171883,1.386403607,0.982155294,0.872996103,0.858948664,1.004375454,1.026454596,0.690323846,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.153911565,0.900412088,0.876190476,0.884615385,1.013095238,1.056122449,1.314285714,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,47.14902419,23.49117876,38.74380497,47.02402419,5.878003023,23.49117876,-0.166666667,0.171637148,0.021454644,-1.409898108,43.9995647,5.499945587,3.027343793,0,11.89,12.11011416,-0.181126041,0.043400338,5.117889282,7.339208173,7,23,22,22,6,1,1,0,0,1,17.491312,3.516410379,3.260192645,2.823237318,2.344112785,1.920737629,1.494056811,1.172188343,0.765552708,1.901938035,1.72467367,1.474847659,1.164158257,0.882472781,0.674819937,0.537244778,0.264948938,3.54138316,3.291623903,2.869140784,2.405337091,1.995042692,1.591223913,1.292051298,0.900237444,1.843800879,1.65715269,1.384863832,1.057160999,0.760994059,0.53404755,0.382288668,0.098420393,3.65314551,3.429835184,3.069028381,2.666187107,2.307265261,1.988228,1.764958626,1.426151911,1.675814026,1.457393086,1.108296945,0.716211496,0.366260137,0.061177417,0.150663185,0.481037356,3.559889259,3.314785609,2.90289955,2.450078683,2.049119366,1.661310387,1.377423667,0.995868659,1.807023717,1.614042512,1.326467596,0.986753469,0.680473159,0.439587027,0.277483129,0.014673394,3.708637808,3.49702726,3.164338757,2.786888017,2.449121696,2.162581267,1.965546246,1.646282426,1.624538704,1.394834473,1.018829109,0.601637524,0.230713349,0.107394532,0.346721507,0.697172227,3.600434656,3.346254527,2.951277354,2.538830202,2.133102629,1.731107366,1.460951897,1.156437592,1.8127061,1.529787877,1.240841402,0.887362892,0.564358143,0.329985093,0.163977797,0.182051654,0,0,0,2,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.983127663,3.526038674,2.06481751,1.210046463,0.678855364,0.345522031,0.166666667,0.083333333,0.747890958,0.503719811,0.344136252,0.242009293,0.169713841,0.11517401,0.083333333,0.083333333,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,2,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.3525,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.621425737,0,0,1.188296485,0.580555556,0,0.621425737,0,0,0,0,0,0,0,0,4.307148526,0,5.340351474,0,4.3525,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.120694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.299375,0,0,0.212046485,0.290277778,0,0.299375,0,0,0,0,0,0,0,0,2.075342971,0,1.268194444,0,2.120694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.231805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.322050737,0,0,0.290277778,0.290277778,0,0.322050737,0,0,0,0,0,0,0,0,2.231805556,0,1.379305556,0,2.231805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,1.75,0.322050737,2.231805556,0.212046485,1.268194444,5.653437574,0.231805556,0.231805556,1.319297052,0.231805556,0.231805556,1.319297052,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.25,0,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,6.82804,0.85351,7.95768,1.12964,0.1412,3.31066,0.41383,3.91421,0.60355,0.07544,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,0.75,0.918295834,1.999218484,3.375814584,3.772055209,3.569773835,3.720175521,22.03910002,47.98124361,81.01955001,90.52932501,85.67457204,89.28421252,0.200284263,0.436038132,0.73627965,0.822701431,0.778582995,0.811386248,3.666666667,2.585744017,1.209147917,0.812907292,1.015188666,0.864786979,0.200284263,0.436038132,0.73627965,0.822701431,0.778582995,0.811386248,6.73287657,15.72064472,20.20180045,19.68512709,19.48126286,20.54885602,31.59900002,20.72164002,15.6149125,15.48446146,16.11929522,14.59924844,8,7,7.2,8,2,8,2.34,1.1928,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.706,6,5,4,3,2,1,0,0,0,36,2.197224577,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.098612289,0,0,0,3.891820298,1.333333333,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,144.287877,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,112.1252005,4.671883355,14.83110795,1.853888494,0,0,0,84,5,4.481,26,1.214698506,2.111946797,2.890912379,3.665430407,4.990116326,6.006179746,7.370928799,8.438677063,9.588971408,0,74.59287549,68.07169963,69.58781631,88.00654661,98.17817293,106.8735231,104.411641,49.34957978,9.743008645,0,279.2929078,317.2674582,338.4573711,444.2963429,524.2354166,603.5613706,672.078499,569.8493862,298.0611366,0,8.837405096,15.0146574,20.22072175,25.7362363,34.77860213,41.81745126,51.19515851,58.16246021,64.4231592,0,2.111801123,2.667690823,2.9800592,3.919148041,4.786008611,5.607939824,6.486999353,6.211222425,4.263380432,0,174.0672186,327.3989664,473.7157511,592.6381214,826.5416995,997.6138005,1232.76776,1443.567958,1773.170078,0,2.665748365,3.716819411,4.465163269,5.853421615,7.715188207,9.449594837,11.3962557,12.1151044,9.588971408,0,0.437667185,0.56395952,0.636465015,0.83646492,1.028380649,1.208247964,1.40577794,1.369996933,0.981910672,0,401.8912509,194.7745357,11.54683235,136.7072879,-66.25448667,-8.579509836,265.183963,261.0290224,20.12634218,0.746179616,0.361632128,0.021438663,0.253820384,-0.123012749,-0.015929323,216.4580405,104.9052803,6.21910703,73.6303455,-35.68456971,-4.620911461,0.117378848,0.187832664,1.921528797,1.659890598,538.5985388,0,1,0,457.3151037,21.38492702,7.704394544,617.5271972,24.85009451,8.515667515,685.5015026,26.18208362,8.817310548,2.802101292,2.802101292,996.2368083,972.154791,43.03733749,1.024771793,23.14819797,22.58863693,4.408175219,5.629489865,10.2542379,0.821521691,6.526337356,5.866687868,3.031038833,25.36782331,11.08354419,2.478218698,4.344351894,7.260096537,13.36381143,1.403748849,1.689213514,6.228866334,3.696919054,4.534592382,1.354924481,0.494275581,3.736399363,4.127931346,0.003125076,0.004761328,1.40E-24,7.96E-68,8.72E-133,1.84E-219,0,0,0,0,0,0,0.547718297,5.860307432,0.250127953,6.150244679,0.085937859,0.081355544,0.92443444,0.210871668,4.284034507,0.038644582,0.067473604,0.577945636,0.135767015,2.134883373,0.049107878,0.024215115,0.181195375,0.10524665,2.21E-05,3.35E-05,9.87E-27,5.61E-70,6.14E-135,1.30E-221,0,0,0,0,0,0,1.768081906,5.860733937,0.81024142,7.520865856,0.833703249,0.344683636,1.622234109,0.943248375,5.428115738,0.176911738,0.264627332,1.723497056,0.553248766,2.603967108,0.201094015,0.089236363,0.650097592,0.498670724,2.30E-04,3.49E-04,1.03E-25,5.84E-69,6.40E-134,1.35E-220,0,0,0,0,0,0,6.160330581,5.865987406,2.858129692,23.28848978,9.880661114,2.251560459,4.134888511,6.578604538,12.55702898,1.270516446,1.54257017,5.880118488,3.369443457,4.380343949,1.234456191,0.454557474,3.427908276,3.730362339,0.002784435,0.004242257,1.25E-24,7.09E-68,7.77E-133,1.64E-219,0,0,0,0,0,0,2.605823266,5.861286785,1.196977488,9.219524554,1.791534945,0.592531265,2.101334366,1.655782549,6.424095948,0.313509453,0.439718323,2.512234389,0.931711677,2.932138907,0.339442634,0.143054608,1.048230742,0.895734517,4.98E-04,7.59E-04,2.23E-25,1.27E-68,1.39E-133,2.93E-220,0,0,0,0,0,0,7.881495701,5.869633185,3.674268064,34.09177459,16.13861969,3.408179832,5.120012342,10.06714674,16.63587019,1.953435595,2.285943336,7.523304696,5.033702424,5.114038883,1.846979853,0.653756929,4.981749601,5.771743772,0.004557399,0.006943949,2.04E-24,1.16E-67,1.27E-132,2.68E-219,0,0,0,0,0,0,3.751314004,5.402970234,1.761989127,12.15972248,3.650327787,0.943713353,2.820576394,2.710009961,8.013164847,0.519440506,0.667723396,3.939880652,1.459607761,3.839236595,0.526447521,0.248840604,1.833920286,1.671425024,0.001020733,0.001554719,4.58E-25,2.60E-68,2.85E-133,6.01E-220,0,0,0,0,0,0,9.989662968,0.791997201,0.391836371,0.894049856,0.070881769,0.546168486,0.564944328,0.499981925,11.17349654,12.1364317,26.4100534,0.841074783,1.611094739,8.612190486,0.29935366,0.084473743,0.957333633,0.033276241,0.40648465,0.081337868,0.02323744,8.996017889,3.330882229,12.54468109,0.936000449,0.511059959,9.158885123,0.495408406,0.206548202,0.928813723,0.050239971,0.459427428,0.222343012,0.138927318,9.860841731,6.531465649,17.32949685,0.893220585,0.820697758,9.955523237,0.779838128,0.384226938,0.895314014,0.070131925,0.542454376,0.547892674,0.480751262,11.1195883,11.88851163,25.99112131,0.842971021,1.571098313,9.402743284,0.582624215,0.260961813,0.91766944,0.05686175,0.484101623,0.307091204,0.221767926,10.24632931,8.084065532,19.76001305,0.87650416,1.012960753,10.09655636,0.830052998,0.415659473,0.890170786,0.073182272,0.557880557,0.619951174,0.562626493,11.34226883,12.92242557,27.74820214,0.835256179,1.740458224,9.989533353,0.77989296,0.384580142,0.895600464,0.069920433,0.546158199,0.547858179,0.481635537,11.15400645,11.93247423,26.08265486,0.843400696,1.575651916 +UMLS0068,L,2-octene,CCCCCC=CC,8126,,UML,[1],C8H16,PubChem,,-0.2,0,1.147,1.315609,15.8797,9.280758,0,0,9,3,6,0,3,0,0,0,0,0,0,0,0,0,438.888747,361.17077,233.077993,65.61576,6.096384,0,0,0,0,1457.053172,1535.453502,1351.008194,729.101804,186.5024666,0,0,0,0,62.932332,57.786824,84.237796,69.18048,40.310784,0,0,0,0,11.03437743,12.25906586,12.36216179,7.790786074,2.667677429,0,0,0,0,1489.88898,1172.323998,1938.322798,1690.200999,1109.505912,0,0,0,0,23,24,25,18,6,0,0,0,0,48.76541633,45.14634625,19.42316608,6.561576,1.016064,0,0,0,0,161.8947969,191.9316877,112.5840162,72.9101804,31.08374443,0,0,0,0,6.992481333,7.223353,7.019816333,6.918048,6.718464,0,0,0,0,1.226041937,1.532383233,1.030180149,0.779078607,0.444612905,0,0,0,0,165.54322,146.5404998,161.5268998,169.0200999,184.917652,0,0,0,0,2.555555556,3,2.083333333,1.8,1,0,0,0,0,0.03272013,-0.005957556,-0.016261901,-0.002805215,0.008664608,0,0,0,0,242.132018,-53.80711511,-80.71067267,-67.25889389,80.71067267,0,0,0,0,450.2548269,-100.0566282,-150.0849423,-125.0707852,150.0849423,0,0,0,0,0.047432,-0.010540444,-0.015810667,-0.013175556,0.015810667,0,0,0,0,2.01284857,-0.447299682,-0.670949523,-0.559124603,0.670949523,0,0,0,0,10.93382538,-2.429738973,-3.644608459,-3.037173716,3.644608459,0,0,0,0,4.222222222,-1.197530864,-0.518518519,-1.580246914,1.185185185,0,0,0,0,0.00363557,-7.45E-04,-0.001355158,-2.81E-04,0.001444101,0,0,0,0,26.90355756,-6.725889389,-6.725889389,-6.725889389,13.45177878,0,0,0,0,50.0283141,-12.50707852,-12.50707852,-12.50707852,25.01415705,0,0,0,0,0.005270222,-0.001317556,-0.001317556,-0.001317556,0.002635111,0,0,0,0,0.223649841,-0.05591246,-0.05591246,-0.05591246,0.111824921,0,0,0,0,1.214869486,-0.303717372,-0.303717372,-0.303717372,0.607434743,0,0,0,0,0.469135802,-0.149691358,-0.043209877,-0.158024691,0.197530864,0,0,0,0,-0.204835708,-0.372749927,-0.077160265,0.397214573,0,0,0,0,-0.25,-0.25,-0.25,0.5,0,0,0,0,-0.25,-0.25,-0.25,0.5,0,0,0,0,-0.25,-0.25,-0.25,0.5,0,0,0,0,-0.25,-0.25,-0.25,0.5,0,0,0,0,-0.25,-0.25,-0.25,0.5,0,0,0,0,-0.319078947,-0.092105263,-0.336842105,0.421052632,0,0,0,0,1.378456319,1.291796158,0.897481293,0.082663771,0,0,0,0,1.5,1.166666667,1,0,0,0,0,0,1.5,1.166666667,1,0,0,0,0,0,1.5,1.166666667,1,0,0,0,0,0,1.5,1.166666667,1,0,0,0,0,0,1.5,1.166666667,1,0,0,0,0,0,1.539473684,0.868421053,1.326315789,0,0,0,0,0,4.113090584,2.056545292,3.657501181,4.113090584,1.371030195,2.267443683,0,0.141134415,0.047044805,-0.587412764,4.66593107,1.555310357,0.46208622,4.113090584,2.056545292,3.657501181,4.113090584,1.371030195,2.267443683,0,0.141134415,0.047044805,-0.587412764,4.66593107,1.555310357,0.46208622,4.113090584,2.056545292,3.657501181,4.113090584,1.371030195,2.267443683,0,0.141134415,0.047044805,-0.587412764,4.66593107,1.555310357,0.46208622,4.113090584,2.056545292,3.657501181,4.113090584,1.371030195,2.267443683,0,0.141134415,0.047044805,-0.587412764,4.66593107,1.555310357,0.46208622,4.113090584,2.056545292,3.657501181,4.113090584,1.371030195,2.267443683,0,0.141134415,0.047044805,-0.587412764,4.66593107,1.555310357,0.46208622,4.113090584,2.056545292,3.657501181,4.113090584,1.371030195,2.267443683,0,0.141134415,0.047044805,-0.587412764,4.66593107,1.555310357,0.46208622,5.051988955,2.470438922,4.589982952,5.014951918,1.671650639,2.608431838,-0.111111111,0.160167306,0.053389102,-0.549460904,3.985454512,1.328484837,0.414795408,0,11.79,12.21000952,-0.308595293,0.111507076,4.466059776,5.222190813,2,8,7,7,1,1,1,0,0,1,6.559242,3.275337194,2.229890553,0.967861063,0.083923071,0.083923071,0.083923071,0.368102749,1.128107366,1.725109484,1.128107366,0.368102749,0.083923071,0.083923071,0.083923071,0.967861063,2.229890553,3.304830219,2.299451583,1.090122529,0.270913902,0.270913902,0.270913902,0.209041944,1.01437374,1.658246942,1.01437374,0.209041944,0.270913902,0.270913902,0.270913902,1.090122529,2.299451583,3.436393989,2.590767018,1.574881347,0.943918427,0.943918427,0.943918427,0.338442169,0.645766573,1.462962669,0.645766573,0.338442169,0.943918427,0.943918427,0.943918427,1.574881347,2.590767018,3.326668942,2.349990146,1.177410854,0.399277246,0.399277246,0.399277246,0.101417887,0.939067375,1.615752944,0.939067375,0.101417887,0.399277246,0.399277246,0.399277246,1.177410854,2.349990146,3.501349681,2.723040753,1.780955151,1.207644823,1.207644823,1.207644823,0.53979603,0.519404378,1.402802769,0.519404378,0.53979603,1.207644823,1.207644823,1.207644823,1.780955151,2.723040753,3.343842169,2.371760752,1.182872841,0.428571429,0.428571429,0.428571429,0.086046467,0.897158556,1.629556455,0.897158556,0.086046467,0.428571429,0.428571429,0.428571429,1.182872841,2.371760752,0,0,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.707106781,1.414213562,0.707106781,0,0,0,0,0,0.902368927,0.707106781,0.707106781,0,0,0,0,0,2.28445705,0.98559856,0.40824829,0,0,0,0,0,0.761485683,0.49279928,0.40824829,0,0,0,0,0,4.625483411,8.663510561,8.176470588,8.28,5.395663473,69.08476527,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.11849,15.601,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,6,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,1,0,2,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.3875,0,0,0,0.290277778,0,0.809722222,0,0,0,0,0,0,0,0,1.888888889,3.361111111,0,0,1.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.3875,0,0,0,0.290277778,0,0.3875,0,0,0,0,0,0,0,0,1.888888889,3.361111111,0,0,1.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.3875,0,0,0,0.290277778,0,0.422222222,0,0,0,0,0,0,0,0,1.888888889,3.361111111,0,0,1.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,2.333333333,0.422222222,3.361111111,0.290277778,1.75,2.374833333,0.25,0.361111111,0.722222222,0.25,0.361111111,0.722222222,1.5,0.5,0,0,0.43333,0.7,0.40909,0.40909,0.7,0.02424,0.02424,0,0,0.71429,0,0,0.66667,0,0,2,0.66667,1,0.33333,1,0.33333,0,0,0,0,1.07735,0.35912,1.91421,0.83687,0.27896,0.78867,0.26289,1.41421,0.62554,0.20851,0,0,0,0,0,2,0,0,0,0,0,0,0.333333333,0.918295834,2.113283334,2.419381946,2.067168057,1.010526389,0,8.264662506,19.01955001,21.77443751,18.60451251,9.094737505,0,0.289690082,0.666666667,0.763230027,0.652118916,0.318785583,0,2.251629167,1.056641667,0.750543056,1.102756945,2.159398612,3.169925001,0.289690082,0.666666667,0.763230027,0.652118916,0.318785583,0,6.73287657,13.74460993,14.05310377,9.826537102,1.018433791,0,11.84962501,9.509775004,9.241437504,7.12815417,2.549373612,0,3,2,0,3,2,3,1.79,0.4883,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,1.164,1,0,0,0,0,0,0,0,0,6,1.386294361,1.098612289,0,0,0,0,0,0,0,0,2.197224577,1.333333333,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.5,0,1,2,1,0.5,0,0,0,0,0,0,0,0,0,0.25,0,0,0,0,0,0,0,0,0,0.25,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,0,57.80795388,2.584962501,1.945910149,2.197224577,2.564949357,2.833213344,3.218875825,3.496507561,3.891820298,4.17438727,4.574710979,33.89759936,1.609437912,0,2.197224577,0,2.833213344,0,3.496507561,0,4.17438727,4.852030264,42.04695019,4.671883355,4.914213562,1.638071187,0,0,0,4,0,1.786,6,1.1845,2.070132387,2.890330347,3.502395143,0,0,0,0,0,0,61.15747468,45.46168094,19.64918577,3.558657619,0,0,0,0,0,0,245.2909382,249.6055362,215.8939837,108.8675555,0,0,0,0,0,0,8.580641761,14.57564053,20.02006365,23.53071568,0,0,0,0,0,0,1.912487988,2.238256218,2.293052372,1.557210078,0,0,0,0,0,0,172.0468959,331.1486605,486.5628902,647.6546863,0,0,0,0,0,0,3.687,4.523347468,5.287544558,3.502395143,0,0,0,0,0,0,0.398525625,0.478506081,0.503311341,0.358645263,0,0,0,0,0,0,226.7952389,55.37710339,8.529758553,169.3509881,-41.35081153,-12.93039234,57.44425075,96.72791493,21.46015089,0.572503847,0.139789551,0.021531843,0.427496153,-0.104382697,-0.032640453,89.84407817,21.93743057,3.379031668,67.08775497,-16.38096797,-5.122326137,0.230795839,0.421391849,6.540371835,11.66194073,396.146227,0,1,0,144.813101,12.03383152,5.251329683,203.5722544,14.26787491,5.882647997,168.364956,12.97555224,5.521841042,1.282327471,1.042240934,60.71531802,52.48819034,11.59797617,1.156742452,5.234992477,4.525633572,2.231223091,2.129213644,4.102201959,0.926627687,1.918389996,1.069327523,2.05453721,2.946742023,0.754916282,2.521614999,0.70372229,2.68E-07,1.97E-35,2.80E-85,7.65E-157,4.04E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.161007887,1.069266338,0.127696141,1.006520372,0.011705592,0.090887906,0.004956374,1.89E-09,1.39E-37,1.97E-87,5.39E-159,2.84E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.519727041,1.06927059,0.441690559,1.241204276,0.071820273,0.372952161,0.051649235,1.97E-08,1.45E-36,2.05E-86,5.62E-158,2.96E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.810804323,1.069320863,1.908518388,2.770880389,0.677015784,2.297066506,0.627003891,2.39E-07,1.76E-35,2.49E-85,6.82E-157,3.60E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765976495,1.069275955,0.680788125,1.450217563,0.140282223,0.630150844,0.112189039,4.28E-08,3.15E-36,4.46E-86,1.22E-157,6.44E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.31673132,1.069355488,2.627038063,3.662691566,1.08013643,3.439015353,1.026312823,3.91E-07,2.88E-35,4.08E-85,1.12E-156,5.89E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.837173482,0.811369703,0.715739049,1.694255431,0.169174003,0.637875127,0.129255114,4.93E-08,3.62E-36,5.14E-86,1.41E-157,7.42E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.872864109,0.70390703,0.18581535,0.677938633,0.254799997,0.5910637,0.366710534,0.222222222,2.762586489,1.797125843,4.804676835,0.51690795,1.179996456,1.220759665,0.238536411,0.040058859,0.814189913,0.159092691,0.251123301,0.042076817,0.010328125,1.499354935,0.349653365,1.860673265,0.72128487,0.303528243,1.479741088,0.42337981,0.097948606,0.739475108,0.211576764,0.368967671,0.132603531,0.061747707,2.001069505,0.812900541,2.875334113,0.609212662,0.563318909,1.856718624,0.692386981,0.18220683,0.679789906,0.253499736,0.580916093,0.354799784,0.213674952,2.731312435,1.750032254,4.715583923,0.519684859,1.149390829,1.595185825,0.505766065,0.123752449,0.71703273,0.2273408,0.428784275,0.189259415,0.098567086,2.224704339,1.0667888,3.391335484,0.575549095,0.716610776,1.923411643,0.739972896,0.197112663,0.672404658,0.25868681,0.623401794,0.405271975,0.250065259,2.860497202,1.948259303,5.089301534,0.508606987,1.278739028,1.856809275,0.688648035,0.181169966,0.680991235,0.252564053,0.580967722,0.350920065,0.21125,2.726627276,1.739848473,4.698135622,0.521486852,1.143137787 +UMLS0069,L,Propene,CC=C,8252,"""propylene""","Sandia, UML","[1], [9]",C3H6,PubChem,,16.9,0,0.8413,0.70778569,26.4798,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,894.311257,1293.838867,825.647975,187.78536,14.224896,0,0,0,2644.81273,3111.440287,4081.945104,3966.02192,2109.972419,435.172422,0,0,0,118.238936,113.725804,185.586916,240.085028,245.042496,94.058496,0,0,0,19.03383305,23.05160678,30.53489774,32.7070836,23.10000729,6.224580668,0,0,0,2668.599586,2223.807959,3945.978999,4982.385688,6122.904923,2588.847128,0,0,0,68.5625,47,75.75,110.5,63,14,0,0,0,61.71557788,59.62075047,51.75355468,26.63380565,5.365296,1.016064,0,0,0,165.3007956,207.4293525,163.2778042,127.936191,60.28492625,31.08374443,0,0,0,7.3899335,7.581720267,7.42347664,7.744678323,7.001214171,6.718464,0,0,0,1.189614566,1.536773785,1.22139591,1.055067213,0.660000208,0.444612905,0,0,0,166.7874742,148.2538639,157.8391599,160.722119,174.9401407,184.917652,0,0,0,4.28515625,3.133333333,3.03,3.564516129,1.8,1,0,0,0,0.228550231,-0.134451686,0.073595135,-0.068930896,-0.023787475,0.039299806,0,0,0,523.7576238,-61.37440864,201.7963501,-679.6049109,9.289468047,268.0146895,0,0,0,766.4429154,-64.08388028,122.9703434,-833.4956669,4.076510572,387.3112355,0,0,0,1.03666,-0.10552625,0.16054125,-0.77858625,0.02169775,0.1835435,0,0,0,3.391946473,-0.184652645,-0.212307257,-2.738137585,-0.012024649,1.451148898,0,0,0,18.82152525,-0.868064488,-2.446740944,-13.43592376,-0.109278225,7.449244794,0,0,0,25.49609375,-7.781494141,8.099853516,-15.23852539,-3.573486328,5.745605469,0,0,0,0.014284389,-0.008963446,0.002943805,-0.002223577,-6.80E-04,0.002807129,0,0,0,32.73485148,-4.091627243,8.071854006,-21.92273906,0.265413373,19.14390639,0,0,0,47.90268221,-4.272258686,4.918813737,-26.886957,0.116471731,27.66508825,0,0,0,0.06479125,-0.007035083,0.00642165,-0.025115685,6.20E-04,0.01311025,0,0,0,0.211996655,-0.012310176,-0.00849229,-0.088327019,-3.44E-04,0.103653493,0,0,0,1.176345328,-0.057870966,-0.097869638,-0.433416896,-0.003122235,0.532088914,0,0,0,1.593505859,-0.518766276,0.323994141,-0.491565335,-0.102099609,0.410400391,0,0,0,-0.627499392,0.206085489,-0.155664846,-0.047579363,0.196517256,0,0,0,-0.124992999,0.246582882,-0.669706385,0.008107975,0.584817267,0,0,0,-0.08918621,0.102683472,-0.561282913,0.002431424,0.577526914,0,0,0,-0.108580763,0.09911292,-0.387640082,0.009568201,0.202345996,0,0,0,-0.058067786,-0.040058605,-0.416643456,-0.001620598,0.488939285,0,0,0,-0.049195559,-0.08319805,-0.36844359,-0.002654182,0.452323736,0,0,0,-0.325550278,0.203321587,-0.308480406,-0.064072315,0.25754558,0,0,0,1.527355518,0.621723293,1.676918895,0.789746682,0.137211806,0,0,0,1.269889206,0.790120354,1.796541198,0.728739312,0,0,0,0,1.398696897,1.009761139,1.545472194,0.739025144,0,0,0,0,1.044581637,0.791272355,2.140086992,0.520193423,0,0,0,0,1.448950267,1.179052138,1.426775117,0.701697541,0,0,0,0,1.454759456,1.22433746,1.406672924,0.684666029,0,0,0,0,1.279607783,0.677309637,1.927477426,0.689181203,0,0,0,0,16.48744705,8.368723525,11.94143081,16.65411372,2.775685619,8.36932503,0.25,0.011249637,0.00187494,-2.692451632,19.0545036,3.1757506,1.76838209,16.49039955,8.369832564,11.94267409,16.6565766,2.7760961,8.370433279,0.249265579,0.011295676,0.001882613,-2.690001149,19.0555351,3.175922517,1.76841457,19.16926703,9.385136276,13.27114636,18.90327071,3.150545118,9.385334316,-0.398994478,0.099057449,0.016509575,-1.387233184,31.21483321,5.202472202,2.064536043,16.49349846,8.370996632,11.94397928,16.65916166,2.776526944,8.37159652,0.2484948,0.011344063,0.001890677,-2.687436465,19.05662359,3.176103932,1.768448842,22.09626239,10.50698406,15.69528377,21.37473288,3.56245548,10.50704735,-1.082294264,0.241165662,0.040194277,-0.853362711,30.88954807,5.148258012,2.058250726,16.79769261,8.485413396,12.07343803,16.9131154,2.818852566,8.485938179,0.173134186,0.01643844,0.00273974,-2.464879683,19.19620168,3.199366946,1.772827458,23.97815966,12.11907983,17.59848292,24.151493,4.025248833,12.11909352,0.26,0.057637868,0.009606311,-1.712145299,20.20863655,3.368106092,1.803666039,0,11.79,15.9949159,-0.385772874,0.130568913,4.980493651,7.652503064,5,15,14,14,4,1,1,0,0,1,10.93207,3.536921914,2.789647354,2.333552793,2.039648352,1.188740532,0.359704607,0.083923071,0.083923071,1.825164935,1.384524971,1.249629723,0.622994839,0.414256759,0.083923071,0.083923071,0.083923071,3.518157184,2.815027245,2.405454588,1.803300497,1.247492965,0.477243308,0.270913902,0.270913902,1.797222202,1.300353992,1.134540686,0.682707503,0.28248279,0.270913902,0.270913902,0.270913902,3.642168697,3.006522389,2.704236987,2.327479058,1.702968566,0.959239252,0.943918427,0.943918427,1.626198717,1.034752733,0.76031856,0.121389989,0.250299968,0.943918427,0.943918427,0.943918427,3.523263532,2.842538676,2.457539916,1.764340406,1.299269248,0.565144359,0.399277246,0.399277246,1.780475646,1.247015508,1.058262671,0.703298267,0.186418297,0.399277246,0.399277246,0.399277246,3.679115192,3.092247079,2.838982085,2.389665764,1.884200731,1.207644823,1.207644823,1.207644823,1.588663265,0.952606138,0.631337262,0.039321042,0.424372953,1.150954091,1.207644823,1.207644823,3.859871736,3.251678712,2.771189336,2.480846648,1.476568105,0.521933734,0.487804878,0.487804878,1.757466844,1.096165629,1.017432014,0.190788576,0.065618452,0.487804878,0.487804878,0.487804878,0,0,1,1,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,0.770480822,0.129099445,0,0,1.060660172,0.353553391,0,0.386698331,0.091287093,0,5.207106781,2.560660172,2.914213562,1.060660172,0,0,0,0,0.86785113,0.512132034,0.416316223,0.353553391,0,0,0,0,4.231670646,1.920530223,1.857787455,0.499535383,0,0,0,0,0.705278441,0.384106045,0.265398208,0.166511794,0,0,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,0.86949,26.2248,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,24,1,0,1,2,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0,2,0,0,2,0,0,0,0,0,0,0,0,2,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.597569444,0,8.708333333,4.875,0,0,0,0,0,0,0,0,0,0.597569444,0,0,0,0,0,0,0,0,0,0.437847222,0.415277778,0,0,0.709027778,0,0,0.853125,0,0,0,0,0,0,0,0,3.361111111,3.381944444,0,0,1.493055556,0,0,0,0,0,0,0,-0.694444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.708333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.597569444,0,8.708333333,1.493055556,0,0,0,0,0,0,0,0,0,0.597569444,0,0,0,0,0,0,0,0,0,0.437847222,0.415277778,0,0,0.354513889,0,0,0.415277778,0,0,0,0,0,0,0,0,1.680555556,3.381944444,0,0,1.493055556,0,0,0,0,0,0,0,-0.694444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.708333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.597569444,0,8.708333333,3.381944444,0,0,0,0,0,0,0,0,0,0.597569444,0,0,0,0,0,0,0,0,0,0.437847222,0.415277778,0,0,0.354513889,0,0,0.437847222,0,0,0,0,0,0,0,0,1.680555556,3.381944444,0,0,1.493055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.708333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.25,2.708333333,0.597569444,8.708333333,0.340277778,-0.694444444,2.775375,1.944444444,2.708333333,6.180555556,1.944444444,2.708333333,6.180555556,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.42,0.47593,0.75238,0.07792,0.02199,-0.05593,0.0754,0.57047,0.14382,0,0.64706,0,0.17647,3.75,0.625,2.75,0.45833,1,0.16667,-1.75,-0.29167,0,0,4.26405,0.71068,6.37132,2.10727,0.35121,1.78145,0.29691,2.56066,0.77921,0.12987,0.35334,0.05889,0.35334,0.05889,0,5.01,1,1,1,1,1,1,0.6,1.198192411,2.608458593,2.780639062,2.780639062,2.280639062,1.155639062,19.17107858,41.73533749,44.490225,44.490225,36.490225,18.490225,0.299548103,0.652114648,0.695159766,0.695159766,0.570159766,0.288909766,2.801807589,1.391541407,1.219360938,1.219360938,1.719360938,2.844360938,0.299548103,0.652114648,0.695159766,0.695159766,0.570159766,0.288909766,10.71860945,18.7418391,18.91536689,18.91536689,12.91536689,1.164681975,21.96987352,15.79229297,15.43383437,15.43383437,12.43383437,4.183834373,6,1.632653061,5.333333333,6,2,4,1.9,0.8288,1.144714243,1.889881575,0,2.381101578,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.459,0.458,0.41,0.311,2.6,7,3,0,0,0,0,0,0,0,21,1.945910149,2.197224577,1.945910149,0,0,0,0,0,0,0,3.295836866,1.238095238,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,3,0.5,3,0.666666667,0,0,0,0,0,0,0,0,0.6,0.095238095,0,0,0,0,0,0,0,0,0.695238095,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,20.23,101.1901498,3.584962501,3.218875825,3.80666249,4.634728988,5.252273428,6.084499413,6.708084084,7.5416831,8.166500319,9.000483165,65.41379081,2.397895273,0,3.663561646,0,5.081404365,0,6.532334292,0,7.989899375,8.256088134,86.07316494,5.379572809,10.46599026,1.74433171,2.301776695,2.301776695,0,28,3,0.752,24,1.213666667,2.13347701,2.941881878,3.444535819,4.246063323,0,0,0,0,0,83.58129439,123.8740659,82.05847493,19.69447963,4.314272084,0,0,0,0,0,275.8099435,377.5986728,386.0259901,216.989381,131.9835472,0,0,0,0,0,9.224577646,15.98057562,22.78511384,24.15319939,28.52702358,0,0,0,0,0,1.992968259,2.75849749,3.161539501,2.34896819,1.887854548,0,0,0,0,0,177.5531932,332.7104989,471.5074714,598.9822604,785.17206,0,0,0,0,0,3.847366667,6.948114342,10.5745465,6.3603048,4.246063323,0,0,0,0,0,0.43792144,0.637346,0.751247253,0.537139674,0.434796884,0,0,0,0,0,336.0664745,205.6756375,20.19574554,117.5550101,-71.94469985,-14.04561197,218.5114644,277.6203374,34.24135751,0.740852199,0.45340806,0.04452114,0.259147801,-0.158600733,-0.030963286,152.4469731,93.29888803,9.161224073,53.32547819,-32.63566156,-6.371391354,0.344666027,0.630319767,15.05119427,14.82735364,386.4290191,67.19246549,0.851875478,0.148124522,366.6561382,19.14826724,7.157362057,472.5073319,21.73723377,7.788781439,610.959245,24.71758979,8.485369272,1.261772097,1.108117876,181.91594,178.0250862,105.0414923,1.021855649,1.731848396,1.694807283,3.313636149,3.200382783,5.261876621,0.644139773,3.469429066,3.349174312,3.755993964,8.76651783,9.092569104,4.254151505,4.313745336,2.818345846,0.383025518,0.006350349,3.46E-24,3.76E-67,8.06E-132,3.41E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311080899,3.476037679,0.183154769,4.939135603,2.261322249,0.175853726,0.264262173,0.111197241,0.002697681,4.47E-05,2.44E-26,2.65E-69,5.68E-134,2.40E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.884731938,3.239814074,0.678258305,5.094417389,2.599705217,0.68002698,0.786609499,0.441539778,0.02811191,4.66E-04,2.54E-25,2.76E-68,5.92E-133,2.50E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.497816748,3.475708346,3.454422148,8.775624838,9.003862924,3.888394211,4.258980411,2.573993509,0.341268842,0.005658047,3.09E-24,3.35E-67,7.18E-132,3.04E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.237025736,3.150057735,1.087666401,5.385221129,3.07554692,1.123590088,1.159261523,0.734298479,0.061062821,0.001012387,5.52E-25,5.99E-68,1.29E-132,5.44E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.370465819,3.429414528,4.96665808,10.23210835,12.07697439,5.740463104,5.829783261,3.812342664,0.558606716,0.009261388,5.05E-24,5.48E-67,1.18E-131,4.98E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.502646623,2.506100512,1.264846713,7.692695208,7.918576523,1.49415608,2.686298364,1.106574842,0.091142305,0.001511088,8.24E-25,8.94E-68,1.92E-132,8.12E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.304407997,1.261028909,0.744305261,0.534697415,0.292599617,0.445497113,0.476833459,0.359523343,4.309742166,5.559698548,12.03233605,0.302046123,1.281853914,1.488666772,0.636279772,0.631889255,0.539991092,0.230800751,0.185540473,0.201600978,0.138114046,2.756835799,2.289939442,5.645306148,0.309986637,0.525255498,1.893352421,0.919920014,0.547933915,0.563295503,0.273687456,0.298457756,0.257590202,0.195359601,3.361206349,3.283220163,7.598780975,0.344943254,0.75140756,2.237899935,1.219142289,0.778210879,0.528398157,0.287855828,0.420293265,0.445151853,0.394521524,4.235253103,5.418626317,11.77708652,0.292597236,1.259966643,2.069409391,1.049564815,0.543530238,0.565025769,0.28657025,0.356850638,0.334405445,0.190701694,3.662504443,3.867236076,8.710276936,0.347538654,0.881957777,2.343287142,1.296590922,0.783182163,0.529788658,0.293143402,0.461426634,0.502819336,0.398504105,4.423060228,5.888972415,12.69156313,0.294682987,1.362750075,2.263937102,1.223384146,0.766858106,0.532167761,0.287572301,0.429796169,0.448739168,0.382544336,4.254179354,5.443945324,11.82206455,0.298251642,1.261079673 +UMLS0070,L,2-Methyl-3-buten-2-ol,CC(C)(C=C)O,8257,Sandia Ron value was from the biocompoundML source for which I could not find the orginal source so I think we should use the co-optima database values which were measured by PNNL,Sandia,,C5H10O,PubChem,,7.7,0,0.561,0.314721,44.0696,25.601516,6,6,22,10,12,0,10,0,0,0,0,0,0,0,0,0,1454.833978,1732.190387,2314.332062,2109.623052,1243.022262,523.728914,84.835296,4.064256,0,4608.173951,6035.525316,8807.250395,8990.557479,6418.372324,3440.716553,1061.424631,124.3349777,0,156.026728,168.35726,303.264248,404.792112,352.830552,257.412296,123.32736,26.873856,0,33.22435486,44.04043172,67.54811506,73.54232287,56.36430997,33.18001696,12.01662072,1.778451619,0,3486.955385,3232.20849,6189.732738,8888.973485,7943.289696,6153.394655,3137.747111,739.6706081,0,42.55555556,53.19444444,85.83333333,101.9166667,85,56,23,4,0,66.12881718,75.31262552,55.10314433,37.01093074,24.86044524,14.15483551,4.713072,1.016064,0,209.4624523,262.4141442,209.696438,157.7290786,128.3674465,92.99233928,58.96803508,31.08374443,0,7.092124,7.31988087,7.220577333,7.101616,7.05661104,6.957089081,6.85152,6.718464,0,1.510197948,1.914801379,1.608288454,1.290216191,1.127286199,0.896757215,0.66759004,0.444612905,0,158.4979721,140.5308039,147.374589,155.9469032,158.8657939,166.3079637,174.3192839,184.917652,0,1.934343434,2.312801932,2.043650794,1.788011696,1.7,1.513513514,1.277777778,1,0,0.046659955,0.002027332,-0.013973144,-0.008576438,-0.017766071,-8.44E-05,0.008409237,0.006633513,0,660.3600491,36.01963904,-116.0632814,-93.05073419,-334.1822067,-43.02345774,120.0654635,100.0545529,0,1227.96771,66.98005689,-215.8246278,-173.0318136,-621.4260834,-80.00395684,223.2668563,186.0557136,0,0.12936,0.007056,-0.022736,-0.018228,-0.065464,-0.008428,0.02352,0.0196,0,5.489587008,0.299432019,-0.964836504,-0.773532715,-2.778063728,-0.357654911,0.998106729,0.831755607,0,29.81952376,1.626519478,-5.241007205,-4.201841984,-15.09048626,-1.942787154,5.421731592,4.51810966,0,3.444444444,0.75,0.055555556,-0.305555556,-2.111111111,-0.888888889,0.333333333,0.444444444,0,0.002120907,8.81E-05,-3.33E-04,-1.50E-04,-3.55E-04,-2.28E-06,4.67E-04,0.001658378,0,30.01636587,1.566071263,-2.763411461,-1.632469021,-6.683644133,-1.162796155,6.670303526,25.01363822,0,55.81671408,2.912176387,-5.138681613,-3.035645853,-12.42852167,-2.162269104,12.40371424,46.5139284,0,0.00588,3.07E-04,-5.41E-04,-3.20E-04,-0.00130928,-2.28E-04,0.001306667,0.0049,0,0.249526682,0.013018783,-0.022972298,-0.013570749,-0.055561275,-0.009666349,0.055450374,0.207938902,0,1.355432898,0.070718238,-0.124785886,-0.073716526,-0.301809725,-0.052507761,0.301207311,1.129527415,0,0.156565657,0.032608696,0.001322751,-0.005360624,-0.042222222,-0.024024024,0.018518519,0.111111111,0,0.04155999,-0.156863974,-0.070943151,-0.167532763,-0.001075612,0.220273614,0.781919372,0,0.052173913,-0.092063492,-0.054385965,-0.222666667,-0.038738739,0.222222222,0.833333333,0,0.052173913,-0.092063492,-0.054385965,-0.222666667,-0.038738739,0.222222222,0.833333333,0,0.052173913,-0.092063492,-0.054385965,-0.222666667,-0.038738739,0.222222222,0.833333333,0,0.052173913,-0.092063492,-0.054385965,-0.222666667,-0.038738739,0.222222222,0.833333333,0,0.052173913,-0.092063492,-0.054385965,-0.222666667,-0.038738739,0.222222222,0.833333333,0,0.208274895,0.008448541,-0.034238823,-0.269677419,-0.153443766,0.11827957,0.709677419,0,0.957956913,1.070764968,0.940200295,1.09920784,1.048056862,0.864859964,0.274367579,0,1.004347826,1.1,1.013157895,1.155,0.936486486,0.641666667,0,0,1.004347826,1.1,1.013157895,1.155,0.936486486,0.641666667,0,0,1.004347826,1.1,1.013157895,1.155,0.936486486,0.641666667,0,0,1.004347826,1.1,1.013157895,1.155,0.936486486,0.641666667,0,0,1.004347826,1.1,1.013157895,1.155,0.936486486,0.641666667,0,0,0.832047686,0.923387097,0.941850594,1.26,1.153443766,0.762096774,0,0,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,43.80845579,20.57579644,31.08689565,43.80409215,4.380409215,20.57579645,-0.168888889,0.396237976,0.039623798,-0.925740298,48.21065101,4.821065101,3.875579972,0,11.9,12.10017173,-0.136149425,0.064701075,6.9134375,8.936746114,11,23,20,17,5,3,0,0,0,6,13.118484,3.859257449,3.26603328,2.85748856,2.539816796,2.350475535,1.497315508,1.237267249,0.751328949,2.053489417,1.666412717,1.350290776,1.017671733,0.96709204,0.560658892,0.558549147,0.239945645,3.870555062,3.292828811,2.886123794,2.56564159,2.392125201,1.582151547,1.349619342,0.880447418,2.02070718,1.608211373,1.271973869,0.935409257,0.878464308,0.431838524,0.405755516,0.07238178,3.922762979,3.411592901,3.021737613,2.689753709,2.57664947,1.936158912,1.80215351,1.398225657,1.933750742,1.4354006,1.050516214,0.71673229,0.613469192,0.002051678,0.11598811,0.509133616,3.87900294,3.312633685,2.907765452,2.585208322,2.422938245,1.643877923,1.430332416,0.973259429,2.000738782,1.570956036,1.222656736,0.884900704,0.821618538,0.345688827,0.302643471,0.041356809,3.949942256,3.469681049,3.09278911,2.756903945,2.66634246,2.093887079,1.997147002,1.618269983,1.909106109,1.381402153,0.985972155,0.656595211,0.529849954,0.149920177,0.305761186,0.72446841,3.926253365,3.31720277,2.939257165,2.610550116,2.488349721,1.719552514,1.507173628,1.139579527,1.987536625,1.51610254,1.209776418,0.827598908,0.688123653,0.22732514,0.190703702,0.214836949,0,0,0,4,2,0,4,0,0,0,0,0,0.166666667,0.23570226,0,0,0,0.090277778,0.111452494,0.333333333,0,0.083333333,0,0.204124145,0,0.041666667,0,0.942809042,1.5,1.885618083,0.524377395,0.760310363,0.873962325,6.811554788,4.966326495,4.089073412,3.466326495,2.857589235,2.316496581,1.140119483,0.704124145,0.681155479,0.451484227,0.292076672,0.192573694,0.12989042,0.089096022,0.063339971,0.044007759,6.137828202,4.03445705,2.97581711,2.260616132,1.676176864,1.232084617,0.536873346,0.295028034,0.61378282,0.366768823,0.212558365,0.125589785,0.076189857,0.04738787,0.029826297,0.018439252,13.25096682,21.32702112,20.35294118,20.56,14.79132695,165.140309,0.602316674,0.969410051,0.92513369,0.934545455,0.672333043,7.506377681,2.5654,43.084,69.06175437,80.55467971,138.1235087,13.81235087,69.06175437,1.05E-15,1.05E-16,-34.48550877,35.25843786,3.525843786,3.562704872,90,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,4,0,0,4,0,0,0,0,0,0,0,0,0,0,4,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.95796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.576805556,0,1.290555556,0,0,1.576805556,0,0,0,0,0,0,0,0,0,0,5.37537037,0,0,8.80287037,0,0,0,0,3.155092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.577546296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.285972222,0,0,0.380972222,0,0,0,0,0,0,0,0,0,0,1.301759259,0,0,2.143009259,0,0,0,0,1.577546296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.258425926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.407430556,0,0.359305556,0,0,0.407430556,0,0,0,0,0,0,0,0,0,0,1.385925926,0,0,2.258425926,0,0,0,0,1.577546296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.33333333,1.733333333,0.407430556,2.258425926,0.116319444,1.301759259,5.854005278,0.198240741,0.258425926,1.605740741,0.198240741,0.258425926,1.605740741,5,0.5,0,0,0.48182,0.7,0.44286,0.44286,0.7,0.03896,0.03896,0,0,0.71429,0,0,0,0.2,0,11.5,1.15,5.5,0.55,6,0.6,0.5,0.05,0,0,6.41361,0.64136,10.92696,4.51335,0.45133,2.98601,0.2986,4.96631,1.9803,0.19803,-0.05231,-0.00523,0.11969,0.01197,0.454545455,31,0,0,0,0,0,0,0.4,0.994030211,2.368522528,2.913977073,3.095795255,3.095795255,3.095795255,21.86866465,52.10749561,64.10749561,68.10749561,68.10749561,68.10749561,0.222905136,0.531126549,0.653441363,0.694212967,0.694212967,0.694212967,3.465401407,2.090909091,1.545454545,1.363636364,1.363636364,1.363636364,0.211476005,0.503893821,0.619937122,0.658618223,0.658618223,0.658618223,6.685280239,17.6733325,20.22163251,20.40487343,20.40487343,20.40487343,36.74662124,28.08813825,24.23565963,23.70495723,23.70495723,23.70495723,6.694214876,2.93877551,1.382716049,0,6,0,2.56,1.1714,0,0,0,0,11.67863166,8.596559455,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.115,0.112,0.679,0.88,5.25,14,18,22,26,18,16,14,12,0,161,2.708050201,3.198673118,3.70745584,4.172462341,4.613262356,4.345427482,4.375363863,4.385925275,4.375363863,0,6.335608176,3.498835404,0.4,2,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,3,0,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,5,0.666666667,1,0.888888889,0.25,0.284444444,0,0,0,0,0,0,0.090909091,0.063492063,0.020833333,0.047407407,0,0,0,0,0,0,0.222641895,22.1589889,32.1589889,44.3179778,4.43179778,22.1589889,5.27E-16,5.27E-17,-35.17865595,5000017.121,500001.7121,15.42495189,0,137.9940115,4.321928095,3.931825633,4.744932128,5.572154032,6.401917197,7.23489842,8.068089626,8.902047346,9.735956081,10.57005972,86.16188019,3.135494216,0,4.369447852,0,5.84932478,0,7.43543802,0,9.066816362,9.288504393,132.0939004,6.004268199,20.65842448,2.065842448,0,0,0,109,12,3.454,50,1.26407814,2.2115582,2.997464741,3.875003081,4.888970194,5.725451817,6.536119692,0,0,0,105.8939133,131.4784064,119.0040356,105.8284698,70.42551243,26.77244013,6.641115919,0,0,0,356.6954994,488.3868363,497.1567436,527.8928496,461.2158995,336.0194561,203.1670741,0,0,0,9.287117082,16.01314024,21.34745465,27.42695893,34.04035647,39.22041676,43.91268485,0,0,0,2.556012155,3.698534641,4.020179734,4.56441283,4.43377781,3.809466681,2.906043163,0,0,0,175.5116945,322.901804,463.0072922,609.4683663,810.9240105,998.6644862,1208.643907,0,0,0,3.01512687,4.63160213,5.496206538,6.77952659,7.436249807,7.27995977,6.536119692,0,0,0,0.52444265,0.767144899,0.844623045,0.969697879,0.959600068,0.846263164,0.669298656,0,0,0,266.5928037,128.0462724,10.92006714,82.8671966,-39.8016581,-4.769739591,183.7256071,167.8479305,15.68980673,0.762870725,0.366411813,0.031248404,0.237129275,-0.113894746,-0.013648886,93.16352125,44.74705037,3.816126666,28.95877055,-13.90908745,-1.666833199,0.129161521,0.128011686,2.717308857,1.658627492,349.4600003,0,1,0,775.9487653,27.85585693,9.189199539,893.0424475,29.88381581,9.629950039,1352.238598,36.77279698,11.05820006,1.347212784,1.347212784,573.6590913,419.2773241,179.9054061,1.368209198,3.188670667,2.330543218,4.086753357,3.868376546,7.157029755,0.850137821,3.673442926,5.408424979,3.684304781,21.51468933,5.022378492,8.070012956,7.41531405,7.199506241,5.616695033,1.183624192,4.37596869,0.616000474,0.897873633,7.79E-06,1.38E-31,4.70E-79,3.09E-148,3.92E-239,0,0,0,0,0,0,0,0,0,0,0,0,0.308289329,5.40825611,0.298079602,7.584607809,1.098408806,1.153643338,1.267345778,0.387983358,1.611143039,0.037260529,0.258545722,0.004338547,0.006323797,5.49E-08,9.70E-34,3.31E-81,2.18E-150,2.76E-241,0,0,0,0,0,0,0,0,0,0,0,0,0.995188921,5.408267771,0.969533762,8.99320581,1.633869952,2.437850811,2.421203171,1.354411912,2.042720224,0.161183098,0.906241981,0.045210962,0.065898845,5.72E-07,1.01E-32,3.45E-80,2.27E-149,2.88E-240,0,0,0,0,0,0,0,0,0,0,0,0,3.467430634,5.408406571,3.470016812,20.15430489,4.688229104,7.601467363,7.003183204,6.632530761,5.234909361,1.074503849,4.055711771,0.548845335,0.799989242,6.94E-06,1.23E-31,4.19E-79,2.75E-148,3.50E-239,0,0,0,0,0,0,0,0,0,0,0,0,1.466723957,5.408282548,1.436329164,10.3861945,2.08028109,3.357297457,3.243301062,2.143713898,2.453608106,0.278935512,1.408098864,0.098204239,0.143141097,1.24E-06,2.20E-32,7.49E-80,4.93E-149,6.25E-240,0,0,0,0,0,0,0,0,0,0,0,0,4.436213716,5.408502294,4.485648403,27.12791642,6.366230076,9.85606857,8.981848041,9.469051054,7.185338979,1.631862036,5.63916194,0.898378782,1.30946431,1.14E-05,2.01E-31,6.85E-79,4.51E-148,5.72E-239,0,0,0,0,0,0,0,0,0,0,0,0,2.074023417,4.82940734,2.021028669,12.3526983,2.566591022,4.481939368,4.610322257,3.518479827,3.288863166,0.471984862,2.195407342,0.205029758,0.298848472,2.59E-06,4.58E-32,1.56E-79,1.03E-148,1.31E-239,0,0,0,0,0,0,0,0,0,0,0,0,4.085920218,2.144047536,0.378660461,0.618270553,0.324431556,0.509523243,0.539911457,0.230409761,6.608628214,11.11944964,21.04529767,0.427405829,1.279844461,3.146742035,1.265242337,0.096581299,0.697947477,0.280630788,0.302224421,0.188031645,0.014950717,4.508565671,4.407506431,9.300600042,0.546921215,0.505206783,3.465015226,1.563059066,0.192189321,0.6637625,0.299421482,0.366443771,0.286957272,0.059269515,5.220263613,6.382365647,12.64353113,0.49564375,0.712670558,4.05624501,2.11628055,0.369749393,0.620005279,0.323477776,0.502149496,0.526017961,0.219681055,6.542274954,10.86644,20.5827001,0.430007919,1.247848512,3.62760563,1.71519862,0.241023704,0.649662859,0.307172541,0.401636351,0.34553369,0.093259046,5.583827953,7.509806639,14.59329955,0.474494288,0.840429087,4.181597149,2.233571713,0.407390385,0.612907415,0.327380332,0.533663274,0.585938983,0.266743705,6.822559246,11.95337522,22.58091874,0.419361122,1.386345961,4.06741877,2.117864382,0.369975604,0.620481803,0.323078686,0.504919986,0.526803608,0.219971792,6.555258756,10.90264521,20.64496311,0.430722704,1.251695385 +UMLS0071,L,"1,2,3,4-tetrahydronaphthalene",C1CCC2=CC=CC=C2C1,8404,,"Sandia, UML",[1],C10H12,PubChem,,14.5,0,-0.7702,0.59320804,20.2676,14.936344,0,0,14,6,8,0,5,0,1,0,0,0,0,0,0,0,985.417118,1010.341298,1303.426247,654.742122,76.700736,0,0,0,0,2582.645241,3338.206942,4683.164353,3142.304322,701.0594557,0,0,0,0,104.802008,104.67752,198.526316,252.45612,118.50624,0,0,0,0,18.14460724,24.19219448,36.21834058,27.96981576,7.474426802,0,0,0,0,2298.764282,2012.295491,4130.289809,5716.396351,2959.748931,0,0,0,0,68.77777778,35.41666667,61.41666667,85.66666667,40,0,0,0,0,70.386937,72.16723557,48.27504619,19.25712124,4.793796,0,0,0,0,184.4746601,238.443353,173.4505316,92.42071535,43.81621598,0,0,0,0,7.485857714,7.476965714,7.352826519,7.42518,7.40664,0,0,0,0,1.296043374,1.728013891,1.341420021,0.82264164,0.467151675,0,0,0,0,164.1974487,143.7353922,152.9736966,168.1293045,184.9843082,0,0,0,0,4.912698413,2.529761905,2.274691358,2.519607843,2.5,0,0,0,0,0.119095345,-0.040669366,-0.004816365,0.006081973,-0.020143915,0,0,0,0,480.0001234,2.70E-13,-80.13717518,-260.085762,100.2228755,0,0,0,0,703.208428,1.56E-13,-259.8424409,-450.2592987,358.4975257,0,0,0,0,1.006693714,2.95E-16,0.065816408,-0.287259592,-0.281903673,0,0,0,0,3.155024204,-1.50E-15,-1.476246983,-2.068416158,1.967151039,0,0,0,0,17.60532202,5.77E-15,-8.537594237,-11.45002073,11.18495395,0,0,0,0,32.07936508,0.876984127,1.049319728,-9.240362812,-8.725623583,0,0,0,0,0.00850681,-0.002904955,-1.78E-04,1.79E-04,-0.001258995,0,0,0,0,34.2857231,1.93E-14,-2.968043525,-7.649581236,6.263929719,0,0,0,0,50.22917343,1.12E-14,-9.623794109,-13.24292055,22.40609535,0,0,0,0,0.071906694,2.11E-17,0.002437645,-0.008448812,-0.01761898,0,0,0,0,0.225358872,-1.07E-16,-0.054675814,-0.060835769,0.12294694,0,0,0,0,1.257523002,4.12E-16,-0.316207194,-0.336765315,0.699059622,0,0,0,0,2.29138322,0.062641723,0.038863694,-0.271775377,-0.545351474,0,0,0,0,-0.341485769,-0.020969537,0.02102804,-0.147998445,0,0,0,0,5.63E-16,-0.086567914,-0.223112729,0.182697903,0,0,0,0,2.22E-16,-0.1915977,-0.26364998,0.446077326,0,0,0,0,2.93E-16,0.033900109,-0.117496871,-0.245025583,0,0,0,0,-4.75E-16,-0.242616649,-0.26995063,0.545560683,0,0,0,0,3.28E-16,-0.251452414,-0.267800521,0.555902056,0,0,0,0,0.027337952,0.0169608,-0.118607562,-0.23800099,0,0,0,0,0.968817907,0.693378388,1.042811493,1.453733881,0,0,0,0,0.952203536,0.987470333,1.14219339,0.760804766,0,0,0,0,1.211847767,1.256731018,1.088737224,0.19283301,0,0,0,0,0.467743913,0.485067762,1.241935077,1.82056019,0,0,0,0,1.295695716,1.343684446,1.071474411,0.009415622,0,0,0,0,1.299983779,1.348131326,1.070591575,3.55E-05,0,0,0,0,0.441427511,0.490296333,1.247187618,1.823602177,0,0,0,0,15.19518796,7.722593978,11.38889539,15.36185462,2.560309104,7.723982562,0.25,0.097222757,0.016203793,-1.398450281,28.21293259,4.702155431,2.003868285,15.19693001,7.723097794,11.38976614,15.36310706,2.560517844,7.724485417,0.249265579,0.097162003,0.016193667,-1.398825337,28.22674482,4.70445747,2.004161956,16.74127642,8.17114097,12.25106533,16.4752801,2.745880017,8.171931591,-0.398994478,0.036805407,0.006134234,-1.981266315,349.3110906,58.2185151,3.513577741,15.19875833,7.723626563,11.39068022,15.36442153,2.560736921,7.725013179,0.2484948,0.09709822,0.016183037,-1.399219341,28.24126868,4.706878113,2.004470602,18.37983666,8.648771196,13.38115538,17.65830715,2.943051191,8.649236386,-1.082294264,0.032564281,0.00542738,-2.054723559,33.18047235,5.530078725,2.101176912,15.37762057,7.775377376,11.48120403,15.49304336,2.582173893,7.776670015,0.173134186,0.090759727,0.015126621,-1.439723777,29.8139717,4.968995283,2.03698628,14.56339074,7.322768126,10.76772433,14.82074524,2.470124207,7.32529646,0.772063492,0.16235719,0.027059532,-1.090773896,19.60165013,3.266941689,1.785368252,0,11.9,15.99491589,-0.299186024,0.187717394,4.018497837,6.400697372,6,14,13,13,5,1,1,0,0,1,9.703656,3.660553052,2.721430928,2.459820995,1.567748549,1.19006016,0.083923071,0.083923071,0.083923071,1.724171079,1.637660892,0.757863935,0.628176547,0.184019975,0.083923071,0.083923071,0.083923071,3.635593714,2.613615742,2.510897621,1.461731566,1.30885592,0.270913902,0.270913902,0.270913902,1.655976007,1.637311729,0.62194973,0.556297773,0.260704611,0.270913902,0.270913902,0.270913902,3.761234391,2.850640096,2.734801489,1.917462401,1.778468089,0.943918427,0.943918427,0.943918427,1.452583651,1.449354072,0.172849073,0.128727721,0.267244541,0.943918427,0.943918427,0.943918427,3.639845897,2.597400255,2.548571849,1.450216432,1.39352899,0.399277246,0.399277246,0.399277246,1.639997615,1.612285733,0.54565259,0.531260614,0.223018367,0.399277246,0.399277246,0.399277246,3.796387309,2.882748301,2.841861735,2.010139246,1.978039144,1.207644823,1.207644823,1.207644823,1.423580518,1.38842831,0.055714193,0.016182923,0.414695574,1.207644823,1.207644823,1.207644823,5.212268516,3.454535089,2.615153931,2.223434717,1.560961402,0.652173913,0.652173913,0.652173913,1.548560608,1.383603685,0.366685159,0.175860764,0.582269606,0.652173913,0.652173913,0.652173913,0,0,0,1,0,0,4,0,0,0,0,0.144337567,0.144337567,0,0,0,0.125,0.051031036,0,0.288675135,0,0,0,0.102062073,0,0,0,0.40824829,0.433012702,0,0.144337567,0.153093109,0,4.405777394,2.89384685,2.389628766,1.64384685,1.129936127,0.288675135,0,0,0.734296232,0.482307808,0.341375538,0.234835264,0.161419447,0.144337567,0,0,3.736675415,2.411230926,1.745781916,1.161230926,0.769337567,0.102062073,0,0,0.622779236,0.401871821,0.249397417,0.165890132,0.109905367,0.051031036,0,0,7.88211032,13.8820102,13.25098039,13.44,8.674457485,107.0102359,0.56300788,0.991572157,0.946498599,0.96,0.619604106,7.643588281,1.1295,23.475,18.09925825,25.29161865,36.19851651,6.033086084,18.09925827,0.064833572,0.010805595,-1.641559038,30.97618464,5.16269744,2.059931203,29,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,2,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24305556,0.453703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.414583333,0.802777778,0,0,0,0,0,0,0,0,0,0,0,0,3.969907407,0,0,0,0,0,0,0.453703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24305556,0.453703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305902778,0.401388889,0,0,0,0,0,0,0,0,0,0,0,0,0.847222222,0,0,0,0,0,0,0.453703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24305556,0.453703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,0,0,1.137731481,0,0,0,0,0,0,0.453703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66666667,2.444444444,0.565972222,10.24305556,0.305902778,0.453703704,1.849523148,1.212962963,3.243055556,6.486111111,1.212962963,3.243055556,6.486111111,2.83333,0.47222,0,0.02778,0.52619,0.82778,0.43333,0.52619,0.82778,0.09286,0,-0.09286,0,0.57047,0.14382,0,0.11765,0.17647,0,4.75,0.79167,3.25,0.54167,1.5,0.25,-1.75,-0.29167,0,0,3.68665,0.61444,5.2306,1.54395,0.25733,2.20568,0.36761,2.89384,0.68816,0.11469,0.02016,0.00336,0.10616,0.01769,0.357142857,6.01,1,1,1,1,0,0,0.8,1.263809174,1.807354922,2.378783493,2.378783493,2.378783493,2.378783493,17.69332843,25.30296891,33.30296891,33.30296891,33.30296891,33.30296891,0.331938892,0.47470093,0.624786379,0.624786379,0.624786379,0.624786379,2.543545748,2,1.428571429,1.428571429,1.428571429,1.428571429,0.3234821,0.462606996,0.608868724,0.608868724,0.608868724,0.608868724,11.18095047,17.70349945,18.27939946,18.27939946,18.27939946,18.27939946,21.78168418,17.12333716,17.56366876,17.56366876,17.56366876,17.56366876,4.166666667,1.632653061,0.979591837,0,1,0,1.9,0.7202,0,0,0,0,4.242640687,2.828427125,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.405,0.403,0.748,0.387,3.245,7,7,7,2,0,0,0,0,0,35,2.079441542,2.302585093,2.302585093,2.302585093,1.609437912,0,0,0,0,0,3.80666249,1.257142857,0.333333333,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,3,0.5,1,0.444444444,0.222222222,0,0,0,0,0,0,0,0.166666667,0.063492063,0.111111111,0,0,0,0,0,0,0,0.341269841,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.07,88.83369113,3.584962501,3.295836866,4.007333185,4.762173935,5.493061443,6.251903883,6.989335266,7.747164967,8.487764381,9.243871855,68.27844578,2.564949357,0,3.713572067,2.397895273,5.017279837,4.442651256,6.385194399,6.224558429,7.788626066,8.245646901,84.05751488,6.004108205,11.57549817,1.929249695,2.461233746,2.461233746,0,26,2,0.351,26,1.4272484,2.522779342,3.327768695,4.101489997,0,0,0,0,0,0,126.9809917,143.700827,78.47407462,22.97038935,0,0,0,0,0,0,395.138052,478.9146831,332.4376811,190.8633599,0,0,0,0,0,0,10.76038175,18.81752593,25.1430202,30.98099088,0,0,0,0,0,0,2.759616845,3.576609806,2.827553324,1.935758245,0,0,0,0,0,0,200.5563045,380.9274749,556.2826925,758.7696696,0,0,0,0,0,0,3.821326232,6.47336511,9.480198073,11.5674827,0,0,0,0,0,0,0.58887794,0.800959231,0.707820619,0.547412184,0,0,0,0,0,0,261.432116,102.2453659,13.29286726,66.328053,-25.94071514,-17.93227771,195.104063,128.1860811,31.22514497,0.797632357,0.311951773,0.040556689,0.202367643,-0.079145417,-0.054711583,85.68703451,33.51195842,4.35687242,21.73969386,-8.502333179,-5.877486373,0.339148862,0.764952108,18.37712924,44.96417301,268.9797923,58.78037665,0.820660403,0.179339597,301.5123266,17.3641103,6.705559554,379.0086152,19.4681436,7.23685205,446.5289739,21.13123219,7.643340632,1.345243924,1.328393467,319.5642169,259.1459803,91.37012881,1.233143638,3.497469261,2.836222119,3.83103484,3.649051612,5.70136841,0.562424711,2.231204427,2.59584145,1.457328555,6.442929699,6.733181116,6.493124408,2.752908777,3.635368369,0.642182098,0.688699761,1.34E-04,2.00E-28,5.74E-74,3.18E-141,3.40E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.187249527,2.927702002,0.710107049,2.173112608,1.427648754,1.213860032,2.197370418,0.207752096,0.831333337,0.076988342,1.50E-05,2.23E-29,6.41E-75,3.56E-142,3.80E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.604464297,2.310483702,0.843091812,2.782963694,1.548956142,1.879577799,1.285296588,0.48185575,0.448718098,0.13336603,2.59E-05,3.87E-29,1.11E-74,6.16E-142,6.58E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.106074973,2.926485853,1.404671911,6.088950366,6.598251393,6.036280744,3.208038895,3.862213918,0.852902237,0.865032464,1.68E-04,2.51E-28,7.21E-74,3.99E-141,4.27E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.890869158,2.075938833,0.940183239,3.279314346,1.90425748,2.455813142,0.998437539,0.647486956,0.302706899,0.132057293,2.57E-05,3.83E-29,1.10E-74,6.10E-142,6.52E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.694502476,2.805304737,1.660140776,7.858678241,9.101284434,8.397828357,3.57365066,5.291825597,0.78158989,1.005852082,1.96E-04,2.92E-28,8.38E-74,4.64E-141,4.97E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.423499989,6.489314298,1.146535203,4.533177355,7.565356959,4.0042188,8.00900747,5.897903106,2.837564255,2.050476603,3.99E-04,5.94E-28,1.71E-73,9.47E-141,1.01E-229,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.182467206,1.696338692,0.623639576,0.484729292,0.376759408,0.347550487,0.454582805,0.430606078,4.502445473,6.121180429,12.93246656,0.29223305,1.23273937,3.416600334,0.906638423,0.186249723,0.757646981,0.201051278,0.788935374,0.118214996,0.036194463,4.50948848,3.90282316,8.989242719,0.636470472,0.943344834,2.365528735,1.262031239,0.355116284,0.593954563,0.316880197,0.381046149,0.230309103,0.136315678,3.982676258,4.273576778,9.316406949,0.390931844,0.74767093,2.427989673,1.640585374,0.602371682,0.519806757,0.351231874,0.410994226,0.405058371,0.396636504,4.670946729,6.434118739,13.50450725,0.306557947,1.212689102,1.999844572,1.429656419,0.436678981,0.51726629,0.369785274,0.27717051,0.30055252,0.210361917,3.866179971,4.356681626,9.471366379,0.330577346,0.788084947,2.23603648,1.742381778,0.658335764,0.482241773,0.375776194,0.369062813,0.486291067,0.479783417,4.636754022,6.51516424,13.71681363,0.28702695,1.335137296,2.499386578,1.632683256,0.601876789,0.52797101,0.344888396,0.433336142,0.399002082,0.394685747,4.733946623,6.56770354,13.75773276,0.309289108,1.227023971 +UMLS0072,L,Cyclopentanone,C1CCC(=O)C1,8452,[11] has RON of 101; Sandia and co-optima database mon values from co-optima api report since source [1] from uml seems reliable I would go with these,"Sandia, UML","[1], [9]",C5H8O,PubChem,,14.6,0,1.1045,1.21992025,47.0813,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2016.744924,1941.144755,1412.516623,890.996068,343.143529,59.605056,3.048192,4670.34144,5841.481647,7938.731209,8337.567344,7102.446203,5162.672522,2672.989803,800.8676542,93.25123329,169.463656,175.052008,301.220976,383.016332,381.324796,355.509904,228.518884,102.373632,20.155392,34.11358067,43.47862034,62.19060946,68.52633425,61.82491149,48.10676025,27.05048403,9.344919193,1.333838715,3856.790689,3411.659229,6337.774435,8455.934033,8561.2468,8435.224566,5567.232656,2646.584363,554.7529561,48.80555556,58.88888889,86.16666667,101.8333333,100,84.33333333,50.5,19,3,60.70275442,67.17251842,48.01773629,35.94712509,26.15771524,17.47051114,10.39828876,3.9736704,1.016064,194.59756,243.3950686,189.0174097,154.3993953,131.5267815,101.228873,80.99969099,53.39117695,31.08374443,7.060985667,7.293833667,7.171928,7.092895037,7.061570296,6.970782431,6.924814667,6.8249088,6.718464,1.421399194,1.811609181,1.480728797,1.26900619,1.144905768,0.943269809,0.819711637,0.622994613,0.444612905,160.6996121,142.1524679,150.8993913,156.591371,158.5416074,165.3965601,168.7040199,176.4389575,184.917652,2.033564815,2.453703704,2.051587302,1.885802469,1.851851852,1.653594771,1.53030303,1.266666667,1,0.055581834,-0.00450474,-0.015137878,-0.002509593,-0.015954422,-0.001129692,-7.58E-04,0.007943012,0.00426043,706.2183858,-6.39E-14,-35.31091929,-55.48858746,-337.9759418,-58.01079598,-42.87754485,113.4993834,63.05521302,1313.243245,2.13E-13,-65.66216225,-103.1833978,-628.4806959,-107.8735523,-79.73262559,211.0569501,117.2538612,0.138343333,2.24E-15,-0.006917167,-0.010869833,-0.066207167,-0.011363917,-0.008399417,0.02223375,0.012352083,5.870808328,1.36E-14,-0.293540416,-0.461277797,-2.809601129,-0.48224497,-0.356441934,0.943522767,0.524179315,31.89032402,-1.08E-13,-1.594516201,-2.505668316,-15.26179792,-2.61956233,-1.936198244,5.125230645,2.847350359,4.795138889,-0.46875,0.233506944,0.665798611,-2.296006944,-0.668836806,-0.704427083,0.46484375,0.376302083,0.00231591,-1.88E-04,-3.60E-04,-4.65E-05,-2.95E-04,-2.22E-05,-2.30E-05,5.30E-04,0.001420143,29.42576608,-2.66E-15,-0.840736174,-1.027566434,-6.258813737,-1.137466588,-1.299319541,7.566625563,21.01840434,54.71846854,8.88E-15,-1.563384816,-1.910803663,-11.6385314,-2.115167692,-2.416140169,14.07046334,39.08462039,0.005764306,9.32E-17,-1.65E-04,-2.01E-04,-0.001226059,-2.23E-04,-2.55E-04,0.00148225,0.004117361,0.244617014,5.67E-16,-0.006989058,-0.008542181,-0.052029651,-0.009455784,-0.010801271,0.062901518,0.174726438,1.328763501,-4.50E-15,-0.037964671,-0.046401265,-0.282625887,-0.051363967,-0.058672674,0.341682043,0.949116786,0.199797454,-0.01953125,0.005559689,0.012329604,-0.042518647,-0.013114447,-0.021346275,0.030989583,0.125434028,-0.081046983,-0.155630267,-0.020067249,-0.127575028,-0.009564636,-0.009918669,0.228650587,0.613211824,-9.06E-17,-0.028571429,-0.034920635,-0.212698413,-0.038655462,-0.044155844,0.257142857,0.714285714,1.62E-16,-0.028571429,-0.034920635,-0.212698413,-0.038655462,-0.044155844,0.257142857,0.714285714,1.62E-14,-0.028571429,-0.034920635,-0.212698413,-0.038655462,-0.044155844,0.257142857,0.714285714,2.32E-15,-0.028571429,-0.034920635,-0.212698413,-0.038655462,-0.044155844,0.257142857,0.714285714,-3.38E-15,-0.028571429,-0.034920635,-0.212698413,-0.038655462,-0.044155844,0.257142857,0.714285714,-0.09775525,0.027826627,0.061710516,-0.212808754,-0.06563871,-0.106839576,0.155104996,0.627805938,1.173200921,1.049672908,0.945006845,1.097084388,0.938267977,1.019858679,0.736288102,0.310888129,1.15,1.079591837,1.022222222,1.168253968,0.927731092,0.896103896,0.525714286,0,1.15,1.079591837,1.022222222,1.168253968,0.927731092,0.896103896,0.525714286,0,1.15,1.079591837,1.022222222,1.168253968,0.927731092,0.896103896,0.525714286,0,1.15,1.079591837,1.022222222,1.168253968,0.927731092,0.896103896,0.525714286,0,1.15,1.079591837,1.022222222,1.168253968,0.927731092,0.896103896,0.525714286,0,1.265749457,0.904106755,0.845066645,1.218869847,1.028013233,1.035613192,0.639536568,0,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,53.47018582,26.36974711,40.8158777,53.38785249,5.338785249,26.36974711,-0.205833333,0.40961866,0.040961866,-0.89252865,40.7712947,4.07712947,3.707978272,0,11.85,12.1501118,-0.209912607,0.090223817,5.601666108,9.072760389,10,24,21,18,4,3,0,0,0,6,15.304898,3.800553388,3.300106495,2.740218449,2.619181914,2.444398039,1.804739059,1.163709156,0.941428501,2.001824673,1.732960006,1.42816176,1.082250302,1.013929276,0.832448724,0.433950696,0.310513972,3.812484671,3.328394347,2.785434122,2.645815032,2.484334788,1.888110927,1.267709641,1.053336623,1.968123094,1.669338321,1.331598489,1.007167592,0.927631179,0.71011407,0.283171921,0.150156259,3.867115504,3.45536442,2.992419406,2.771820215,2.652140743,2.231870042,1.695660318,1.517793787,1.878521577,1.481081079,1.034252875,0.798620231,0.68494011,0.295587422,0.225606429,0.396843083,3.821379157,3.349394459,2.819379244,2.665925019,2.513196408,1.948416887,1.343018712,1.134811365,1.947607648,1.628606968,1.26876728,0.960278991,0.873919006,0.627461673,0.181813002,0.041902902,3.89528271,3.518232671,3.094272604,2.838078588,2.732168434,2.384378828,1.883760183,1.721464227,1.852898206,1.422866863,0.939332824,0.738564276,0.610366649,0.148591038,0.407574243,0.594311107,3.847762949,3.320838122,2.870322016,2.756996632,2.577474451,1.985955602,1.374562599,1.255336616,1.947732517,1.609247132,1.193106268,0.858459866,0.802501385,0.557014447,0.113589126,0.089369861,0,0,0,5,1,2,1,1,0,0,0,0,0.102062073,0.058925565,0,0,0,0.032075015,0.018518519,0.402368927,0,0.11785113,0,0.30034919,0,0.068041382,0,1.089255651,1.339255651,1.373773448,0.715203943,0.725729982,0.623411431,7.397341225,4.842535255,3.783622271,3.098518319,2.036535719,1.41711029,0.569035594,0.319035594,0.739734123,0.484253526,0.315301856,0.221322737,0.145466837,0.101222164,0.071129449,0.053172599,6.671208396,3.892064078,2.719979463,1.980980521,1.017274032,0.582361414,0.225115408,0.108587098,0.66712084,0.389206408,0.226664955,0.141498609,0.072662431,0.041597244,0.028139426,0.01809785,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,3.2001,45.148,41.88157561,60.63834098,83.76315123,8.376315123,41.88157561,0.23147766,0.023147766,-1.463271913,38.30092131,3.830092131,3.645473951,90,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,4,0,0,5,0,0,0,0,0,0,0,0,2,0,1,0,0,5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.08518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.997814626,0,1.18586593,0,0,1.997814626,0,0,0,0,0,0,0,0,4.479166667,0,1.226203704,0,0,10.63611111,0.709444444,0,0,0,1.449074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.449074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.25461593,0,0,0.380972222,0,0,0,0,0,0,0,0,2.219907407,0,1.226203704,0,0,2.061388889,0.709444444,0,0,0,1.449074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.188657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.42100907,0,0.359305556,0,0,0.42100907,0,0,0,0,0,0,0,0,2.259259259,0,1.226203704,0,0,2.188657407,0.709444444,0,0,0,1.449074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.5,1.85,0.42100907,2.259259259,0.116319444,0.709444444,6.297556111,0.623888889,0.259259259,2.230555556,0.623888889,0.259259259,2.230555556,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.80028,0.68003,11.56742,4.76714,0.47671,2.88621,0.28862,4.84252,1.95631,0.19563,0.07148,0.00715,0.15748,0.01575,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.345437252,3.090199877,3.740601563,3.938721876,3.855388542,23.51685016,56.29049406,74.16479704,89.77443751,94.52932501,92.52932501,0.213713581,0.511549931,0.673985856,0.815841255,0.859052146,0.840876788,3.605093744,2.239525248,1.494762624,0.844360938,0.646240625,0.729573959,0.206076118,0.493268716,0.649899682,0.786685607,0.828352274,0.810826448,6.772325919,17.12993833,21.02005558,23.85331982,24.05299043,23.05299043,37.92632204,28.30072848,22.21202699,17.51591511,16.96403542,18.25651667,8.1,4,2.285714286,4,6,4,2.56,1.28,0.333333333,3.422158352,2.149139864,0,6.945629182,6.085553735,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.151,0.144,0.514,0.649,4.689,12,14,14,14,8,6,2,0,0,90,2.63905733,3.068052935,3.518980417,3.914519886,4.313312742,3.765551102,3.725693427,2.784239339,0,0,5.696883733,3.299305556,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,0,3,6,1,1.5,1.111111111,0.4375,0.191111111,0.152777778,0.04,0,0,0,0,0.15,0.092592593,0.039772727,0.027301587,0.038194444,0.04,0,0,0,0,0.387861352,24.96027687,37.10029833,49.92055373,4.992055373,24.96027687,0.054700231,0.005470023,-2.905887347,107.3580669,10.73580669,4.676169667,0,150.3504702,4.321928095,3.80666249,4.574710979,5.361292166,6.150602768,6.944087208,7.737616283,8.532475815,9.326967184,10.12202049,82.55643538,3.044522438,0,4.234106505,0,5.65248918,0,7.158513997,0,8.703008637,8.947285869,134.1095504,5.587897935,19.52724104,1.952724104,0,0,0,121,11,4.011,44,1.236512656,2.164930193,2.965069029,3.722678127,4.377382855,5.526216698,6.674735984,7.865256659,0,0,92.91185031,113.623177,113.7825863,109.9191829,89.83009648,62.79788839,27.37127644,7.991604142,0,0,323.9803594,435.048515,479.9816946,521.5386142,490.6483874,470.167588,362.7685305,244.4816279,0,0,9.050443239,15.5781293,21.08772308,26.3444751,30.65935821,38.34859606,45.58498675,52.84244372,0,0,2.364973853,3.357973835,3.902985892,4.444923356,4.447755108,4.689780193,4.20947443,3.496994611,0,0,173.8105839,323.0953877,460.1231939,586.3675213,712.9773203,926.0664688,1175.252245,1454.424794,0,0,3.114146793,4.578796416,5.731753281,7.060622534,7.637206833,8.676222211,8.531130624,7.865256659,0,0,0.486961494,0.699231276,0.820900107,0.942370207,0.953502675,1.020891038,0.938932867,0.805402282,0,0,278.7156861,149.7492451,10.98142046,79.87957471,-42.91795046,-4.776660073,198.8361114,192.6671956,15.75808053,0.777243083,0.417599621,0.03062344,0.222756917,-0.119683541,-0.013320477,99.94612417,53.69936961,3.937885333,28.64443693,-15.39017364,-1.712887665,0.115465203,0.12048862,1.438085983,0.954879563,358.5952608,0,1,0,726.8842238,26.96079049,8.991284665,863.5642905,29.38646441,9.522805011,1267.367914,35.60011115,10.82183487,2.065462657,2.065462657,710.0231553,603.0350707,163.6959785,1.177416024,4.337450202,3.683872237,4.395404959,4.443439901,7.963231373,0.792132121,4.313020202,4.901461064,4.567414572,16.895635,5.163184263,8.070454164,5.380535607,8.837713579,5.556137655,4.514281356,4.865549702,3.022609564,1.732812076,1.271591476,1.718141754,4.99E-13,2.93E-47,3.44E-103,8.03E-181,3.70E-280,0,0,0,0,0,0,0,0,0,0,0.362071417,4.719493148,0.355661999,6.191825066,1.545866239,1.405964561,1.139685742,1.6100042,0.870635021,0.313646507,1.18595271,0.32815992,0.082699843,0.068488127,0.012101013,3.52E-15,2.06E-49,2.42E-105,5.65E-183,2.61E-282,0,0,0,0,0,0,0,0,0,0,1.168544138,4.731653019,1.165698124,7.381465906,1.888466846,2.336716091,1.923670042,2.757506624,1.337557848,1.014438501,1.921144012,0.671880515,0.308295191,0.246277366,0.126101884,3.67E-14,2.15E-48,2.52E-104,5.89E-182,2.72E-281,0,0,0,0,0,0,0,0,0,0,4.071145892,4.881482728,4.29200166,15.88827427,4.801723934,7.510476081,5.092023951,8.279264004,5.096129847,4.201704934,4.634665033,2.784684372,1.592444698,1.173956564,1.53083337,4.45E-13,2.61E-47,3.06E-103,7.15E-181,3.30E-280,0,0,0,0,0,0,0,0,0,0,1.722162424,4.747418556,1.736511283,8.49362291,2.241164061,3.103208795,2.486098291,3.642569731,1.803424895,1.542022011,2.430548721,0.969080954,0.496185143,0.3884523,0.273910142,7.96E-14,4.66E-48,5.48E-104,1.28E-181,5.91E-281,0,0,0,0,0,0,0,0,0,0,5.208571964,4.985467182,5.607096806,21.02520011,6.660480817,10.31636602,6.481566678,11.0370812,7.455955018,5.734532505,5.726795498,3.986394724,2.297206777,1.660319128,2.505748275,7.28E-13,4.27E-47,5.01E-103,1.17E-180,5.40E-280,0,0,0,0,0,0,0,0,0,0,2.384636231,3.782398704,2.369421375,9.037798896,2.648092105,4.08826445,3.381710932,4.58325567,2.377842649,2.193597684,3.185136179,1.44595673,0.774219805,0.597792222,0.502013661,1.46E-13,8.55E-48,1.00E-103,2.35E-181,1.08E-280,0,0,0,0,0,0,0,0,0,0,5.384201833,1.756302876,0.509811045,0.703788184,0.2295726,0.523560275,0.518297971,0.320056083,7.650315754,13.09659733,25.56783374,0.555682276,1.361914329,4.477368459,1.01061179,0.211747492,0.78554076,0.177308783,0.362571404,0.172748268,0.055819327,5.699727741,5.686947405,12.34480742,0.678311139,0.591139,4.799340808,1.275520723,0.317674203,0.750772621,0.199532826,0.416355674,0.274505767,0.125025191,6.392535734,8.051485451,16.38871422,0.626158932,0.815886632,5.357464391,1.73433548,0.501033826,0.705594855,0.22841742,0.518391753,0.505507237,0.30919977,7.592833697,12.8448722,25.09313212,0.558392282,1.33309876,4.957820471,1.405852638,0.369769159,0.736298059,0.208786618,0.444193525,0.333087679,0.169068414,6.733442268,9.323055039,18.6337754,0.604447088,0.946349619,5.469619519,1.826474168,0.537847795,0.698195095,0.233148814,0.540243903,0.560210276,0.355980273,7.833941481,13.91430666,27.12141148,0.547292643,1.456434452,5.370334282,1.736748875,0.500394414,0.705928375,0.228294971,0.52091244,0.507022724,0.308262593,7.60747757,12.88326673,25.15788398,0.558892563,1.336197757 +UMLS0073,L,sec-butylbenzene,CCC(C)C1=CC=CC=C1,8680,,"Sandia, UML","[1], [14]",C10H14,PubChem,,5,0,-0.552,0.304704,24.6224,17.603516,0,0,18,6,12,0,5,0,1,0,0,0,0,0,0,0,989.481374,918.525433,1003.316377,934.258844,450.512373,80.809344,3.048192,0,0,2706.980219,3340.91352,4245.280188,4180.758316,2826.048557,982.4523969,93.25123329,0,0,131.675864,127.961068,226.768108,280.631936,284.28822,169.900416,20.155392,0,0,19.92305886,25.2786954,34.93808817,36.61778345,27.38151406,11.61010636,1.333838715,0,0,3038.434891,2530.053054,4960.191286,6428.552833,6768.210873,4407.028418,554.7529561,0,0,62.27777778,44,63.25,79.33333333,86,40,3,0,0,54.97118744,54.03090782,32.36504442,23.95535497,11.55159931,3.367056,1.016064,0,0,150.3877899,196.5243247,136.9445222,107.1989312,72.4627835,40.93551654,31.08374443,0,0,7.315325778,7.527121647,7.315100258,7.195690667,7.289441538,7.079184,6.718464,0,0,1.106836603,1.486982082,1.127035102,0.938917524,0.702090104,0.483754432,0.444612905,0,0,168.8019384,148.8266503,160.0061705,164.834688,173.5438685,183.6261841,184.917652,0,0,3.459876543,2.588235294,2.040322581,2.034188034,2.205128205,1.666666667,1,0,0,0.225457497,-0.103409787,-0.034193375,0.045593812,-0.032759205,-0.002442912,0.014482718,0,0,557.7912351,-66.11605249,-126.6202505,-82.79789952,-194.0616483,145.3220847,45.37814848,0,0,815.6252945,-79.2452518,-166.6805924,-305.0017385,-248.7965671,326.3349971,65.57650547,0,0,1.059967111,-0.095141383,-0.136576247,0.062409481,-0.300422963,-0.091328593,0.031076148,0,0,3.576219349,-0.265723223,-0.593319447,-1.81533496,-0.921828003,1.56239879,0.245697168,0,0,19.7674611,-1.32649563,-3.008159357,-10.62450125,-4.797903742,8.612081632,1.261247796,0,0,23.75308642,-3.492112483,-3.531550069,2.852880658,-6.085390947,-2.263374486,0.643004115,0,0,0.012525417,-0.006082929,-0.001103012,0.001169072,-8.40E-04,-1.02E-04,0.004827573,0,0,30.98840195,-3.889179558,-4.084524209,-2.123023065,-4.9759397,6.055086864,15.12604949,0,0,45.31251636,-4.6614854,-5.376793304,-7.820557398,-6.379399157,13.59729155,21.85883516,0,0,0.058887062,-0.005596552,-0.004405685,0.001600243,-0.007703153,-0.003805358,0.010358716,0,0,0.198678853,-0.015630778,-0.019139337,-0.04654705,-0.023636615,0.06509995,0.081899056,0,0,1.098192283,-0.078029155,-0.097037399,-0.272423109,-0.123023173,0.358836735,0.420415932,0,0,1.319615912,-0.205418381,-0.11392097,0.073150786,-0.156035665,-0.09430727,0.214334705,0,0,-0.485646814,-0.088061909,0.093335985,-0.067062011,-0.008126516,0.385422138,0,0,-0.12550436,-0.131808159,-0.068510247,-0.16057426,0.195398487,0.488119701,0,0,-0.102874123,-0.118660223,-0.172591549,-0.140786689,0.30007805,0.482401705,0,0,-0.095038736,-0.074815847,0.027174783,-0.130812315,-0.064621292,0.175908183,0,0,-0.078673586,-0.096333036,-0.234282862,-0.118968955,0.327664211,0.412218285,0,0,-0.071052361,-0.088361028,-0.248065037,-0.112023345,0.326752191,0.382825429,0,0,-0.155665281,-0.086328885,0.055433392,-0.118243243,-0.071465696,0.162422037,0,0,1.392431884,0.814188952,0.606755894,1.208326111,1.22322347,1.314412987,0,0,1.409452341,1.180958298,0.999029065,1.060226075,0.504943854,0,0,0,1.590373361,1.278605214,1.183707409,0.902749303,0.206461644,0,0,0,1.043987109,0.894935497,0.663607818,1.39244601,1.138463311,0,0,0,1.655711089,1.29519174,1.258320093,0.848847484,0.105101334,0,0,0,1.661705788,1.290419824,1.267833872,0.844902563,0.09796942,0,0,0,1.117983368,0.900392328,0.637194147,1.385514953,1.133186071,0,0,0,20.42144412,10.33572206,15.33447173,20.58811079,3.431351798,10.33580441,0.25,0.05377834,0.008963057,-1.753730694,40.79701439,6.799502398,2.225165341,20.42455101,10.33690829,15.33626064,20.59072806,3.43178801,10.33699053,0.249265579,0.053629002,0.008938167,-1.755399164,40.87913894,6.813189824,2.22637193,23.2019196,11.40146256,17.16348679,22.93592328,3.82265388,11.40148825,-0.398994478,0.091194792,0.015199132,-1.436854491,31.15610434,5.192684057,2.063406115,20.42781182,10.33815331,15.33813873,20.59347502,3.432245837,10.33823543,0.2484948,0.053472209,0.008912035,-1.757155933,40.96582575,6.827637625,2.227642921,26.18332907,12.55051741,19.59850408,25.46179957,4.243633261,12.55052528,-1.082294264,0.221825479,0.036970913,-0.903518602,22.86600661,3.811001101,1.877790828,20.7471864,10.46016029,15.52488159,20.86260919,3.477101532,10.46023167,0.173134186,0.037843982,0.00630733,-1.964569982,52.93489933,8.822483221,2.381437706,22.72545624,11.65439479,17.76876849,23.11434513,3.852390855,11.6544192,0.583333333,0.087958075,0.014659679,-1.458536997,29.48917229,4.914862049,2.030413893,0,11.99640057,15.99794223,-0.421324353,0.07210154,4.103494365,7.248503548,5,17,17,17,5,0,0,0,0,0,13.118484,3.471723689,2.834632539,2.5294604,1.82378712,1.424303836,0.921632112,0.083923071,0.083923071,1.866258151,1.467845174,1.209118027,0.847546296,0.438418931,0.34078572,0.083923071,0.083923071,3.478726552,2.832870999,2.490222729,1.866841115,1.331912292,1.027718587,0.270913902,0.270913902,1.816339236,1.388860976,1.162910992,0.730056194,0.396858421,0.192983939,0.270913902,0.270913902,3.617665031,3.074522638,2.814120617,2.243694996,1.88118357,1.548432746,0.943918427,0.943918427,1.624716425,1.083895585,0.778128918,0.28274838,0.202829277,0.381213777,0.943918427,0.943918427,3.494438301,2.860289454,2.505450713,1.919599497,1.339431966,1.103526305,0.399277246,0.399277246,1.785523447,1.342435559,1.128672282,0.652583071,0.351223883,0.086395,0.399277246,0.399277246,3.672344468,3.162049086,2.905770795,2.391676936,2.018877764,1.756960954,1.207644823,1.207644823,1.571462813,0.993498047,0.682740047,0.135392335,0.347202254,0.583465996,1.207644823,1.207644823,4.284953577,3.406284876,2.936877555,2.257240966,1.906659395,1.261551996,0.6,0.6,1.731582625,1.157449701,0.830182617,0.473801012,0.028700672,0.310746918,0.6,0.6,0,0,0,0,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.577350269,0.288675135,0,0.417774579,0.129099445,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.438777427,2.417181397,1.695994192,1.008597056,0.129099445,0,0,0,0.739796238,0.483436279,0.339198838,0.252149264,0.129099445,0,0,0,8.965765927,17.6576839,16.70196078,16.96,10.27156647,139.5813569,0.498098107,0.980982439,0.92788671,0.942222222,0.570642582,7.754519827,1.0248,26.5408,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,29,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.673888889,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0.673888889,0,0,0,0,0,0,0,0,0,0,0,0,0,1.526111111,0,0,0,0,0,0,0,0,0,0,0,4.098101852,0,1.409722222,0,0,0,0.490740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.673888889,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0.673888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,2.027777778,0,0.329861111,0,0,0,0.490740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.673888889,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0.673888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.070324074,0,1.079861111,0,0,0,0.490740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,2.388888889,0.673888889,8.334768519,0.24,0.329861111,2.658430926,1.170138889,2.334768519,4.865740741,1.170138889,2.334768519,4.865740741,2.83333,0.47222,0,0.02778,0.47593,0.82778,0.42,0.47593,0.75238,0.05593,0,-0.05593,0.0754,0.57047,0.14382,0,0.47059,0.17647,0,2.75,0.45833,2.75,0.45833,0,0,-2.75,-0.45833,0,0,4.94416,0.82403,5.73058,0.78641,0.13107,2.47948,0.41325,2.80805,0.32857,0.05476,0.10595,0.01766,0.10595,0.01766,0,5.01,1,1,1,1,1,1,1,1.134969975,1.94471679,3.086048612,3.419381946,3.187719446,2.261069445,20.42945954,35.00490222,55.54887502,61.54887502,57.37895002,40.69925001,0.272179949,0.46636733,0.74007293,0.820010419,0.764454863,0.542232641,3.034955027,2.225208211,1.083876389,0.750543056,0.982205556,1.908855556,0.27767102,0.475776017,0.755003466,0.836553647,0.77987729,0.553171866,10.25843817,16.9429018,19.31451736,19.65045903,16.87050903,8.297183763,21.93297423,15.25754858,13.84528056,13.26031806,11.87034306,7.468755558,6,3.2,3,6,0,4,1.9,0.8718,0.333333333,2.149139864,1.414213562,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,2.891,5,4,1,0,0,0,0,0,0,21,1.791759469,1.791759469,1.609437912,0.693147181,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,20.23,103.8266085,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,88.088815,4.893823056,10.6758508,1.779308466,2.363633046,2.363633046,0,31,4,1.148,20,1.216411765,2.109021302,2.856594138,3.436359309,4.006630398,4.960986366,0,0,0,0,77.15821427,76.95587386,76.27426937,47.31327196,16.08853946,5.040679651,0,0,0,0,263.9099389,311.6444121,323.2859168,263.6819024,173.9600493,154.2060323,0,0,0,0,9.180431628,15.49152274,20.63503194,25.21071558,28.79523554,33.3302083,0,0,0,0,1.941447524,2.511694225,2.772975027,2.481428848,1.969230812,2.205718559,0,0,0,0,178.6200885,333.7215899,468.1611717,593.5189241,734.9451584,917.3739505,0,0,0,0,3.206490196,4.434420925,6.017551921,8.029406999,7.468677151,4.960986366,0,0,0,0,0.425350094,0.558441024,0.635819942,0.609652265,0.503746827,0.508005004,0,0,0,0,331.4687864,196.6101078,15.02025734,154.5529168,-91.67278151,-20.67483587,176.9158696,288.2828893,35.69509321,0.682004084,0.404529482,0.030904499,0.317995916,-0.188618699,-0.042538915,161.1010241,95.55677945,7.300171053,75.11607185,-44.5549614,-10.04841894,0.353598743,0.666672116,9.738798943,23.03009678,423.9348903,62.08681292,0.872255061,0.127744939,346.0061755,18.60124124,7.020390718,470.5945044,21.69319028,7.778256915,546.6933284,23.38147404,8.176760136,1.520310739,1.191875336,292.5927814,251.4462291,70.78830304,1.163639568,4.13334928,3.552087255,3.516450868,3.220194404,5.518792456,0.713807231,3.782243497,4.176847,3.713842936,16.51783602,3.82524224,5.438922403,4.90382512,4.42848023,1.55293459,2.036328689,1.76E-10,3.08E-42,1.04E-95,6.80E-171,8.56E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337322539,4.3037216,0.321879012,4.596564695,0.574521621,0.197835109,0.439729822,0.194191792,0.137913826,0.216562637,1.96E-11,3.44E-43,1.16E-96,7.60E-172,9.57E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.969469194,4.067497395,0.791484781,5.810206695,0.777549611,0.761833824,0.99928795,0.73050349,0.175444477,0.381618839,3.40E-11,5.96E-43,2.02E-96,1.32E-171,1.66E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.793087398,4.303382321,3.98655898,15.73934036,3.485747676,4.947842486,5.207628179,4.084079479,1.425774686,2.51910812,2.21E-10,3.87E-42,1.31E-95,8.54E-171,1.07E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.361918399,3.977740142,1.038224502,6.930095158,1.053660818,1.299606291,1.309984805,1.188231935,0.278317277,0.387045622,3.37E-11,5.91E-43,2.00E-96,1.30E-171,1.64E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.748236975,4.257081772,5.007934802,21.29567464,5.326994214,7.481461153,6.698074678,5.957566792,2.240944991,2.973853707,2.56E-10,4.50E-42,1.52E-95,9.93E-171,1.25E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.48411676,4.540845075,4.551021925,11.46571093,2.089555018,2.647268175,5.979101788,2.153369902,0.938562642,4.208160782,3.79E-10,6.65E-42,2.25E-95,1.47E-170,1.85E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.705780101,1.203785571,0.57112542,0.603875618,0.268660692,0.514743588,0.462403348,0.47042555,4.480691092,5.49003138,11.83098022,0.405813427,1.447572485,2.822338094,0.63992194,0.168854467,0.777264967,0.176232928,0.56161486,0.12936823,0.038865691,3.631114501,2.39069414,6.326772652,0.665897451,0.729848781,2.497576933,0.910143285,0.339285625,0.666552719,0.242898816,0.438497838,0.263183461,0.163212644,3.747005843,3.429343359,7.947597297,0.499829079,0.864893943,2.788648375,1.168970833,0.553133273,0.618222433,0.259152068,0.546582281,0.435786282,0.439267722,4.51075248,5.448939477,11.76282269,0.42733365,1.421636285,2.429587745,1.025368957,0.416550757,0.627556003,0.264850053,0.41509989,0.33477441,0.248381728,3.87150746,3.930388683,8.839617325,0.441334004,0.998256028,2.759740596,1.232707678,0.596946414,0.601329976,0.268599186,0.535469195,0.485043939,0.514291315,4.589394688,5.785231102,12.40540969,0.401994964,1.534804449,2.791359157,1.172391567,0.554407801,0.617809035,0.259484381,0.547656059,0.438281808,0.44111612,4.518158525,5.47010026,11.80259487,0.426713552,1.427053987 +UMLS0074,L,2-methyl-butanol,CCC(C)CO,8723,"Sandia values from co-optima database and source [11], co-optima database values are from measurements from nrel and pnnl I think maybe we should use these, need UMLs opinion ","Sandia, UML",[11],C5H12O,PubChem,,14.1,0,1.626,2.643876,49.2166,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2005.6539,1915.914515,1384.238191,884.899684,376.416601,90.93168,9.144576,4670.34144,5841.481647,7855.078337,8077.010367,6748.637992,4976.170055,2923.948418,1247.927098,279.7536999,169.463656,175.052008,300.821808,362.062604,340.215676,315.19912,229.716388,163.638144,60.466176,34.11358067,43.47862034,61.52167806,65.85463273,57.81937125,45.43908282,29.05727825,14.68429815,4.001516144,3856.790689,3411.659229,6369.569539,7964.771286,7515.331096,7325.718654,5471.847343,4247.253023,1664.258868,48.05555556,58.33333333,86.44444444,99,90.91666667,74,51,30,9,60.70275442,67.17251842,47.75366429,37.56695127,28.83829565,19.66443742,11.40656367,3.78882,1.016064,194.59756,243.3950686,187.0256747,158.3727523,140.5966248,110.5815568,88.60449753,51.99696242,31.08374443,7.060985667,7.293833667,7.162424,7.099266745,7.087826583,7.004424889,6.961102667,6.818256,6.718464,1.421399194,1.811609181,1.464801859,1.291267308,1.204570234,1.009757396,0.880523583,0.611845756,0.444612905,160.6996121,142.1524679,151.6564176,156.171986,156.5693978,162.7937479,165.8135559,176.9688759,184.917652,2.002314815,2.430555556,2.058201058,1.941176471,1.894097222,1.644444444,1.545454545,1.25,1,0.050038363,-0.002252934,-0.008460761,-0.009773565,-0.016699774,0.002214172,-0.00371096,0.008783889,0.004880752,706.2183858,-7.82E-14,15.13325113,-17.65545965,-363.198027,-184.121222,-194.2100561,201.7766817,189.1656391,1313.243245,2.42E-13,28.14092668,-32.83108113,-675.3822403,-342.3812746,-361.1418924,375.2123557,351.7615835,0.138343333,2.23E-15,0.0029645,-0.003458583,-0.071148,-0.036068083,-0.038044417,0.039526667,0.03705625,5.870808328,1.35E-14,0.125803036,-0.146770208,-3.019272855,-1.5306036,-1.61447229,1.677373808,1.572537945,31.89032402,-1.08E-13,0.683364086,-0.7972581,-16.40073807,-8.314263047,-8.769839104,9.111521147,8.542051076,4.49537037,-0.49537037,0.559027778,0.259837963,-2.939814815,-0.602430556,-0.924189815,0.810185185,1.085069444,0.002084932,-9.39E-05,-2.01E-04,-1.92E-04,-3.48E-04,4.92E-05,-1.12E-04,3.66E-04,5.42E-04,29.42576608,-3.26E-15,0.360315503,-0.346185483,-7.566625562,-4.091582712,-5.885153215,8.407361736,21.01840434,54.71846854,1.01E-14,0.670022064,-0.643746689,-14.07046334,-7.608472769,-10.94369371,15.63384816,39.08462039,0.005764306,9.31E-17,7.06E-05,-6.78E-05,-0.00148225,-8.02E-04,-0.001152861,0.001646944,0.004117361,0.244617014,5.62E-16,0.00299531,-0.002877847,-0.062901518,-0.034013413,-0.048923403,0.069890575,0.174726438,1.328763501,-4.51E-15,0.016270573,-0.015632512,-0.341682043,-0.184761401,-0.2657527,0.379646714,0.949116786,0.187307099,-0.020640432,0.013310185,0.005094862,-0.061246142,-0.013387346,-0.028005752,0.033757716,0.120563272,-0.04502414,-0.096620273,-0.091915969,-0.166869708,0.023599725,-0.053936218,0.175543092,0.260107178,-1.11E-16,0.012244898,-0.011764706,-0.257142857,-0.139047619,-0.2,0.285714286,0.714285714,1.84E-16,0.012244898,-0.011764706,-0.257142857,-0.139047619,-0.2,0.285714286,0.714285714,1.62E-14,0.012244898,-0.011764706,-0.257142857,-0.139047619,-0.2,0.285714286,0.714285714,2.30E-15,0.012244898,-0.011764706,-0.257142857,-0.139047619,-0.2,0.285714286,0.714285714,-3.40E-15,0.012244898,-0.011764706,-0.257142857,-0.139047619,-0.2,0.285714286,0.714285714,-0.110195675,0.071060762,0.027200582,-0.326982492,-0.071472709,-0.149517835,0.180226571,0.643666323,1.139392832,1.023219236,1.079622031,1.324478752,0.977165269,0.938699789,0.503922097,0,1.15,1.032653061,1.005042017,1.232142857,1.051428571,1.075324675,0.492857143,0,1.15,1.032653061,1.005042017,1.232142857,1.051428571,1.075324675,0.492857143,0,1.15,1.032653061,1.005042017,1.232142857,1.051428571,1.075324675,0.492857143,0,1.15,1.032653061,1.005042017,1.232142857,1.051428571,1.075324675,0.492857143,0,1.15,1.032653061,1.005042017,1.232142857,1.051428571,1.075324675,0.492857143,0,1.279093718,0.883183758,0.9697704,1.379763131,0.947476828,1.046531224,0.639546859,0,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,47.36437185,23.38781855,33.68508962,47.30659407,4.730659407,23.38781855,-0.144444444,6.66E-16,6.66E-17,-34.9450411,4000024.041,400002.4041,15.20181093,0,11.89,12.11015511,-0.156960901,0.065322989,5.558256921,8.602201025,10,24,21,18,4,3,0,0,0,6,15.304898,3.821183088,3.187113103,2.957533536,2.506369281,2.408211274,1.608166766,1.603815697,0.855384625,2.007909421,1.675744272,1.520534873,1.04643109,1.010726892,0.725289572,0.686200459,0.272911904,3.832097664,3.217440143,2.994645901,2.541662255,2.447240048,1.696371143,1.695911688,0.973504521,1.976346355,1.601606812,1.440288491,0.963826287,0.91873368,0.591872591,0.558041529,0.10921766,3.882355278,3.35720401,3.162504313,2.697422216,2.620868137,2.072934023,2.058906935,1.45869598,1.892905126,1.386096379,1.196424465,0.728858084,0.65602962,0.14231256,0.125717527,0.452912596,3.840248665,3.240168173,3.022324042,2.567654668,2.476088112,1.762386402,1.760155049,1.059190678,1.957167475,1.554472888,1.388319553,0.911937169,0.860798102,0.502182141,0.471893803,0.001531568,3.908441391,3.428107175,3.245229397,2.774427119,2.707013602,2.238774667,2.218589849,1.66925518,1.869232078,1.320941753,1.119531764,0.657740328,0.576511551,0.017971902,0.028624583,0.657723944,3.856962273,3.227465597,3.070421639,2.648201686,2.541007049,1.817141377,1.812182168,1.18306542,1.943525969,1.543335035,1.315869829,0.819226463,0.785926279,0.419263867,0.380800473,0.137962042,0,0,0,4,2,2,2,0,0,0,0,0,0.083333333,0.11785113,0,0,0,0.027777778,0.03928371,0.40824829,0,0,0,0.23570226,0,0,0,0.932625685,1.22850154,1.352305361,0.489636154,0.551917411,0.542579092,7.397341225,4.863703305,3.715153309,3.046112076,2.143889804,1.593412989,0.745812289,0.353553391,0.739734123,0.486370331,0.309596109,0.217579434,0.142925987,0.099588312,0.074581229,0.058925565,6.723614639,3.942687549,2.527057686,1.807889833,1.069490284,0.701020891,0.310875228,0.126679943,0.672361464,0.394268755,0.21058814,0.129134988,0.071299352,0.043813806,0.031087523,0.021113324,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.8114,45.198,43.09324379,59.79346001,86.18648758,8.618648758,43.09324379,3.89E-16,3.89E-17,-35.4840376,4000018.863,400001.8863,15.20180963,90,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,4,0,0,4,0,0,0,0,0,0,0,0,2,0,2,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.66148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.54125,0,1.290555556,0,0,1.54125,0,0,0,0,0,0,0,0,4.378518519,0,2.293333333,0,0,8.773796296,0,0,0,0,2.887685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.443842593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0.285972222,0,0,0.363194444,0,0,0,0,0,0,0,0,2.189259259,0,1.146666667,0,0,2.136574074,0,0,0,0,1.443842593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.277777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.39875,0,0.359305556,0,0,0.39875,0,0,0,0,0,0,0,0,2.189259259,0,1.146666667,0,0,2.277777778,0,0,0,0,1.443842593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.33333333,1.833333333,0.39875,2.277777778,0.134097222,1.146666667,6.197808796,0.353333333,0.277777778,2.30462963,0.353333333,0.277777778,2.30462963,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.67902,0.6679,11.50267,4.82364,0.48236,2.89931,0.28993,4.86369,1.96438,0.19644,0.05031,0.00503,0.13631,0.01363,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.284159128,2.938721876,3.272055209,3.355388542,3.272055209,23.51685016,54.81981907,70.52932501,78.52932501,80.52932501,78.52932501,0.213713581,0.498184909,0.640947854,0.713649285,0.731824642,0.713649285,3.605093744,2.300803373,1.646240625,1.312907292,1.229573959,1.312907292,0.206076118,0.480381319,0.618042356,0.688145662,0.705671489,0.688145662,6.772325919,16.88939319,20.29712166,21.54907792,21.63306334,20.63306334,37.92632204,28.0806892,23.07894792,21.0427323,20.82731875,22.1198,8.1,4,2.285714286,2,6,2,2.56,1.28,0.166666667,3.861957538,1.414213562,0,6.603502479,7.412576046,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.894,12,14,15,16,10,6,1,0,0,94,2.63905733,3.113515309,3.590439381,4.027581346,4.440442938,4.07647756,3.725693427,1.802122256,0,0,5.77823265,3.427526596,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,0,3,6,1,2,0.666666667,0.5,0.382222222,0.180555556,0,0,0,0,0,0.2,0.055555556,0.045454545,0.054603175,0.045138889,0,0,0,0,0,0.400752165,25.06409266,36.35559528,50.12818532,5.012818532,25.06409266,2.22E-16,2.22E-17,-36.04365339,4000019.454,400001.9454,15.20180978,0,150.3504702,4.321928095,3.80666249,4.574710979,5.370638028,6.159095388,6.961296046,7.75319427,8.556606194,9.349145335,10.15280554,82.68415427,3.044522438,0,4.234106505,0,5.65248918,0,7.164720379,0,8.719480761,8.961237781,134.1095504,5.587897935,19.5689129,1.95689129,0,0,0,121,11,3.794,44,1.235929323,2.155957118,2.971810538,3.799774681,4.618309803,5.696812287,6.512070774,7.548772374,0,0,92.76161773,112.7646566,120.94984,123.0965996,101.9539536,70.6051698,26.61560324,7.670035854,0,0,323.5789178,429.7682809,497.4731145,571.7486397,549.0176111,522.5150598,353.2592955,234.6441113,0,0,9.045833162,15.4961248,21.15940378,27.01274811,32.46168676,39.70313665,44.47087797,50.71615544,0,0,2.362509317,3.315612513,4.00180521,4.802717414,4.917068935,5.129669507,4.101542969,3.356281613,0,0,173.7497847,323.1510935,459.6605685,589.1970381,743.3130033,941.1254289,1146.865086,1395.901263,0,0,3.093648486,4.590750711,5.92606654,7.380086239,7.828746841,8.918068011,8.315233634,7.548772374,0,0,0.486472119,0.690464497,0.840120244,1.015173092,1.051432538,1.112904854,0.914951257,0.772994291,0,0,306.9655418,157.1849429,10.9210592,89.66010531,-45.91140246,-5.034427789,217.3054365,203.0963453,15.95548699,0.773942744,0.396305544,0.027534929,0.226057256,-0.115755002,-0.012693147,121.7504066,62.34357968,4.331572174,35.56149729,-18.20963971,-1.99678318,0.121664159,0.119644362,2.190848765,1.147609419,396.6256471,0,1,0,729.0594248,27.00110044,9.00024454,865.5271791,29.41984329,9.530014688,1262.242732,35.52805556,10.80722748,1.534866669,1.534866669,740.737183,627.0928508,176.9721251,1.181224092,4.185615009,3.543455504,4.513777929,4.389329297,8.621033032,0.964088919,4.231360714,4.769035699,3.691802671,11.73008266,8.033630783,6.022030283,7.139713855,7.076058136,6.232359651,7.420134298,4.31923933,2.475466921,0.572471613,1.256133305,0.09857933,0.231164319,5.79E-07,2.80E-34,2.61E-83,4.69E-154,1.63E-246,0,0,0,0,0,0,0,0,0,0.355218392,4.768829469,0.279487503,5.583306477,1.860630198,1.763495673,0.5127027,1.547034419,2.310853052,0.342339141,0.260577683,0.069356756,0.24008568,0.010072389,0.001034192,0.001628109,4.08E-09,1.97E-36,1.84E-85,3.31E-156,1.15E-248,0,0,0,0,0,0,0,0,0,1.146421676,4.768843705,0.92157037,6.32935028,2.481358468,2.42232696,1.629711524,2.465107818,3.073723379,1.28967198,0.812930845,0.315081644,0.263699797,0.095341212,0.008108408,0.016966153,4.25E-08,2.06E-35,1.92E-84,3.45E-155,1.20E-247,0,0,0,0,0,0,0,0,0,3.994066058,4.769013218,3.463642908,11.17383993,7.429556437,5.68688395,6.650628205,6.663100895,5.978988749,6.810874506,3.973093742,2.241347416,0.536475036,1.120035879,0.088066443,0.205963247,5.16E-07,2.49E-34,2.33E-83,4.18E-154,1.45E-246,0,0,0,0,0,0,0,0,0,1.689557927,4.76886175,1.378505503,6.992512973,3.097294157,2.937073943,2.466488886,3.157843641,3.608572015,2.087673457,1.274085623,0.556632422,0.293043823,0.204078574,0.016776155,0.036852752,9.23E-08,4.46E-35,4.16E-84,7.48E-155,2.60E-247,0,0,0,0,0,0,0,0,0,5.109956015,4.769130128,4.558444174,13.99390914,10.5270426,7.347449482,9.045255025,8.689612983,7.185578161,9.875740992,5.711765798,3.440882709,0.723518033,1.827955654,0.142660062,0.337131435,8.45E-07,4.08E-34,3.81E-83,6.85E-154,2.37E-246,0,0,0,0,0,0,0,0,0,2.35192853,4.134393285,1.813620252,7.568372385,4.382097001,3.970114796,3.620928264,3.975932942,4.047202973,2.971887517,1.929546242,0.937228758,0.383568744,0.378467598,0.03064474,0.068776161,1.72E-07,8.33E-35,7.77E-84,1.40E-154,4.84E-247,0,0,0,0,0,0,0,0,0,6.463346586,1.704480258,0.559525116,0.740585073,0.195303256,0.573888824,0.371788391,0.366078081,8.72735196,15.58675092,30.47819337,0.610877609,1.311755296,4.439578269,1.103844243,0.236057223,0.768162269,0.190993704,0.271925271,0.155939378,0.065905561,5.779479735,6.209167838,13.14547029,0.652243404,0.49377021,5.158040446,1.317180164,0.351281576,0.755590536,0.192950962,0.366333762,0.222033602,0.145536744,6.826502185,9.068694259,18.28182755,0.633385804,0.733904108,6.40367332,1.68678032,0.550027203,0.741124648,0.195218339,0.563386178,0.364107445,0.353903885,8.640480843,15.25155972,29.83320897,0.611686971,1.281397509,5.511728572,1.42215406,0.407822608,0.750742286,0.193708956,0.417981733,0.258831176,0.1957457,7.341705239,10.66632126,21.20475509,0.626113428,0.872558608,6.653981872,1.761022426,0.589856381,0.73893224,0.195563539,0.608092175,0.396862152,0.406297403,9.004860679,16.68145528,32.59814172,0.60839836,1.41125173,6.402860356,1.689894174,0.549391401,0.740887785,0.195541037,0.563143253,0.365453099,0.352753126,8.642145931,15.26624616,29.85289298,0.611331677,1.281349478 +UMLS0075,L,m-diethylbenzene,CCC1=CC(=CC=C1)CC,8864,Sandia values from independent API report ,Sandia,,C10H14,PubChem,,6,0,0.691,0.477481,22.1338,14.134344,0,0,13,5,8,0,5,0,0,0,0,0,0,0,0,0,729.449117,818.177309,918.082205,206.92224,12.192768,0,0,0,0,2366.254464,3035.47744,4046.621604,2239.87454,373.0049332,0,0,0,0,91.450292,94.643636,171.740084,201.222144,80.621568,0,0,0,0,17.50140324,22.85285448,33.09504767,23.59667672,5.335354858,0,0,0,0,2113.312997,1858.952162,3638.6855,4853.89024,2219.011824,0,0,0,0,22.75,27.5,44.25,41,12,0,0,0,0,56.11147054,62.93671608,38.25342521,7.135249655,1.016064,0,0,0,0,182.0195742,233.4982646,168.6092335,77.23705309,31.08374443,0,0,0,0,7.034637846,7.280279692,7.155836833,6.938694621,6.718464,0,0,0,0,1.346261788,1.757911883,1.37896032,0.813678508,0.444612905,0,0,0,0,162.5625382,142.9963202,151.6118958,167.3755255,184.917652,0,0,0,0,1.75,2.115384615,1.84375,1.413793103,1,0,0,0,0,0.031695836,2.29E-04,-0.016160245,-0.016864274,0.016947218,0,0,0,0,372.5107969,2.13E-14,-175.5098947,-225.6555789,214.9100751,0,0,0,0,692.6997337,2.42E-13,-326.3681437,-419.6161848,399.6344617,0,0,0,0,0.072972308,5.43E-16,-0.034381183,-0.044204379,0.042099408,0,0,0,0,3.096690107,-1.17E-15,-1.459017454,-1.875879584,1.786551985,0,0,0,0,16.82126981,3.15E-14,-7.925405968,-10.18980767,9.704578737,0,0,0,0,1.807692308,0.211538462,-0.856508876,-1.128698225,0.869822485,0,0,0,0,0.002438141,1.76E-05,-6.73E-04,-5.82E-04,0.001412268,0,0,0,0,28.65467669,1.64E-15,-7.312912279,-7.781226859,17.90917293,0,0,0,0,53.2845949,1.86E-14,-13.59867266,-14.46952361,33.30287181,0,0,0,0,0.005613254,4.18E-17,-0.001432549,-0.001524289,0.003508284,0,0,0,0,0.238206931,-8.97E-17,-0.060792394,-0.064685503,0.148879332,0,0,0,0,1.293943832,2.43E-15,-0.330225249,-0.351372678,0.808714895,0,0,0,0,0.139053254,0.016272189,-0.03568787,-0.038920628,0.072485207,0,0,0,0,0.007237003,-0.276170852,-0.238512299,0.579239673,0,0,0,0,5.72E-17,-0.255208333,-0.271551724,0.625,0,0,0,0,3.49E-16,-0.255208333,-0.271551724,0.625,0,0,0,0,7.44E-15,-0.255208333,-0.271551724,0.625,0,0,0,0,-3.76E-16,-0.255208333,-0.271551724,0.625,0,0,0,0,1.87E-15,-0.255208333,-0.271551724,0.625,0,0,0,0,0.117021277,-0.256648936,-0.279897285,0.521276596,0,0,0,0,1.102152261,1.285721545,1.090524023,0.099125573,0,0,0,0,1.2,1.3,1.075862069,0,0,0,0,0,1.2,1.3,1.075862069,0,0,0,0,0,1.2,1.3,1.075862069,0,0,0,0,0,1.2,1.3,1.075862069,0,0,0,0,0,1.2,1.3,1.075862069,0,0,0,0,0,1.021276596,1.313829787,1.144534116,0,0,0,0,0,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,11.83033946,5.865169728,8.879772264,11.77033946,2.354067891,5.873442411,-0.1,0.177576857,0.035515371,-0.864175883,31.27150805,6.254301611,1.721353699,0,11.9,12.10006119,-0.164711685,0.042369812,6.16983725,6.412469435,5,13,12,12,4,1,1,0,0,1,8.745656,3.620859225,2.457043703,2.327176487,1.172599198,0.757912782,0.083923071,0.083923071,0.083923071,1.68994998,1.654416234,0.677040456,0.635465568,0.259103803,0.083923071,0.083923071,0.083923071,3.64248339,2.497756349,2.379581864,1.290331218,0.892820568,0.270913902,0.270913902,0.270913902,1.621062059,1.600960531,0.54382766,0.490847486,0.091706145,0.270913902,0.270913902,0.270913902,3.738694411,2.681331202,2.611518213,1.756775348,1.420292581,0.943918427,0.943918427,0.943918427,1.450772367,1.416054141,0.107415136,0.007199954,0.492421976,0.943918427,0.943918427,0.943918427,3.658471199,2.528052663,2.41837923,1.374324936,0.988683955,0.399277246,0.399277246,0.399277246,1.576960957,1.567535916,0.45518634,0.393916432,0.022073891,0.399277246,0.399277246,0.399277246,3.78628053,2.772175182,2.723231627,1.955311318,1.641104289,1.207644823,1.207644823,1.207644823,1.406175444,1.351583295,0.042915611,0.163649465,0.711314831,1.207644823,1.207644823,1.207644823,3.703950215,2.599250803,2.434751473,1.477157836,1.168651885,0.588235294,0.588235294,0.588235294,1.590512755,1.45905695,0.323265853,0.27704188,0.207291696,0.588235294,0.588235294,0.588235294,0,0,0,2,0,0,3,0,0,0,0,0.176776695,0,0,0,0,0.11785113,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.535533906,2.5,1.767766953,1.25,0.883883476,0,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0,0,0,3.276020882,2.149829914,1.402308181,0.90824829,0.589255651,0,0,0,0.655204176,0.429965983,0.280461636,0.181649658,0.11785113,0,0,0,7.167311215,12.55134741,11.90196078,12.04,8.194217964,98.85571497,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,1.65269,22.721,14,18.61803399,28,5.6,14.000001,1.11E-16,2.22E-17,-18.36840028,19.22543377,3.845086753,1.478117039,20,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,2,0,2,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.663888889,0,0,0.836111111,0.580555556,0,0.663888889,0,0,0,0,0,0,0,0,0,0,4.027777778,0,4.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331944444,0,0,0.255555556,0.290277778,0,0.331944444,0,0,0,0,0,0,0,0,0,0,1.319444444,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331944444,0,0,0.290277778,0.290277778,0,0.331944444,0,0,0,0,0,0,0,0,0,0,1.388888889,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.5,1.7,0.331944444,2.236111111,0.255555556,1.319444444,3.193611111,0.180555556,0.236111111,0.944444444,0.180555556,0.236111111,0.944444444,2.5,0.5,0,0,0.45385,0.7,0.43333,0.43333,0.7,0.02051,0.02051,0,0,0.71429,0,0,0,0,0,3.5,0.7,2.5,0.5,1,0.2,-1.5,-0.3,0,0,2.91421,0.58284,3.75,0.83579,0.16716,1.95711,0.39142,2.5,0.54289,0.10858,-0.086,-0.0172,0,0,0.384615385,5,0,0,0,0,0,0,0.6,0.961236605,2.045841641,2.469670487,2.469670487,2.469670487,2.469670487,12.49607586,26.59594133,32.10571634,32.10571634,32.10571634,32.10571634,0.259762806,0.552864469,0.667399195,0.667399195,0.667399195,0.667399195,2.739203113,1.654598077,1.230769231,1.230769231,1.230769231,1.230769231,0.252468347,0.537339356,0.648657805,0.648657805,0.648657805,0.648657805,6.796774065,14.32421229,14.75135761,14.75135761,14.75135761,14.75135761,19.35422196,15.59866796,15.43340754,15.43340754,15.43340754,15.43340754,3.2,1.44,0.64,0,2,0,2.01,0.6615,0,0,0,0,7.071067812,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.093,0.088,0.377,0.384,2.565,5,5,5,0,0,0,0,0,0,25,1.945910149,2.079441542,2.197224577,2.302585093,0,0,0,0,0,0,3.583518938,1.4,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,8.618033989,12,2.4,6.006204681,0,0,0,13.96759521,2.793519041,1.318370009,0,80.04346443,3.321928095,3.044522438,3.713572067,4.394449155,5.081404365,5.771441123,6.463029457,7.155396302,7.848153086,8.541105011,62.013073,2.397895273,0,3.433987204,2.397895273,4.615120517,4.262679877,5.860786223,5.888877958,7.147559271,7.6989362,68.06260026,5.235584635,9.6875,1.9375,0,0,0,15,0,2.329,20,1.307421772,2.338722016,3.174417217,4.228503302,0,0,0,0,0,0,98.3406332,97.29960195,24.08891716,4.296429979,0,0,0,0,0,0,342.7945308,416.3991437,256.033555,131.437716,0,0,0,0,0,0,9.569772486,16.78427923,22.07808923,28.40904721,0,0,0,0,0,0,2.501871769,3.358755992,2.669724635,1.880047136,0,0,0,0,0,0,183.7578818,351.0896017,527.1954892,781.9249021,0,0,0,0,0,0,2.861522469,4.380867935,4.569784245,4.228503302,0,0,0,0,0,0,0.515132439,0.704522243,0.583901927,0.432998738,0,0,0,0,0,0,273.8488355,79.68637153,9.618153015,190.9562117,-55.56571968,-9.87138648,82.89262386,135.2520912,19.48953949,0.589169238,0.171440418,0.020692876,0.410830762,-0.119546292,-0.021237692,127.2863209,37.03862768,4.470566066,88.75741097,-25.82722696,-4.588270259,0.195526966,0.302151885,5.718254113,11.65928446,464.8050472,0,1,0,293.7345153,17.13868476,6.647397669,371.6554286,19.27836685,7.189745101,402.18915,20.05465407,7.381480046,1.151022885,1.012539233,151.2400741,84.78170838,76.46624545,1.783876227,1.977867139,1.108746845,3.028578014,3.430406433,4.581102973,0.335440294,2.394536895,1.716704967,5.562929419,7.8741723,3.60744996,7.595450386,5.385121388,2.949763906,3.20E-08,2.25E-37,3.71E-88,1.22E-160,7.79E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.200971372,1.716578428,1.666144685,0.803103081,0.269415205,0.531285181,0.056167488,0.020775428,2.26E-10,1.58E-39,2.61E-90,8.59E-163,5.49E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.64872486,1.71658715,2.446919965,1.601561867,0.851052844,1.784997494,0.442098598,0.216495982,2.35E-09,1.65E-38,2.72E-89,8.96E-162,5.72E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.260248386,1.716691169,5.319191351,7.213143246,3.36781796,7.096396156,4.810605277,2.628186534,2.85E-08,2.00E-37,3.30E-88,1.09E-160,6.94E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.956093593,1.716598217,2.9872451,2.341162119,1.279939687,2.701522385,0.915413683,0.470258202,5.11E-09,3.58E-38,5.91E-89,1.95E-161,1.24E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.891746802,1.716762928,6.471262938,10.5807049,4.534757075,9.518832765,7.794200805,4.301953433,4.67E-08,3.28E-37,5.41E-88,1.78E-160,1.14E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.367613753,1.802875767,3.925140017,3.527280786,2.252042725,4.30231823,1.9044102,1.020679552,1.11E-08,7.78E-38,1.28E-88,4.22E-161,2.70E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.815087021,1.764702996,0.381422245,0.458215036,0.445495692,0.459690922,0.574946159,0.460235192,3.961212262,4.568501049,9.751442901,0.355566092,1.494872273,1.179457438,1.049852074,0.07347322,0.512187894,0.455905831,0.19186788,0.201457431,0.017079103,2.302782732,1.402050385,3.795811761,0.452140587,0.410404414,1.414635865,1.314666435,0.187486239,0.484997745,0.450723944,0.276172504,0.316153337,0.111206184,2.916788539,2.371480913,5.636951538,0.403582535,0.703532025,1.797470513,1.744962214,0.372903696,0.459084564,0.445673635,0.450165316,0.561526116,0.439908159,3.915336424,4.457504385,9.542460012,0.357137297,1.451599591,1.5264102,1.440448135,0.241655959,0.475737385,0.448945525,0.321815471,0.379873121,0.184747357,3.208514294,2.915673721,6.655520529,0.387024366,0.886435949,1.870963793,1.827238939,0.408423788,0.455596287,0.444948897,0.491514656,0.61938656,0.527700138,4.106626519,4.929131862,10.43203592,0.350817775,1.638601354,1.800889577,1.744139754,0.37362662,0.459568178,0.445086217,0.451196602,0.5603276,0.441611128,3.91865595,4.465520428,9.55773875,0.356981594,1.453135329 +UMLS0076,L,cyclopentene,C1CC=CC1,8882,,"Sandia, UML",[1],C5H8,PubChem,,23.6,0,-0.9949,0.98982601,19.7783,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,1082.455342,1224.686158,755.170631,145.367712,8.128512,0,0,0,2644.81273,3446.892775,4618.785718,3810.943601,1579.260103,248.6699554,0,0,0,118.238936,121.406152,235.588936,284.377124,183.378816,53.747712,0,0,0,19.03383305,24.9697231,36.01312543,33.98672738,17.09169693,3.556903239,0,0,0,2668.599586,2345.089558,4929.150212,6556.312343,4554.031367,1479.341216,0,0,0,33.5,34.5,62.5,63.75,35,8,0,0,0,61.71557788,67.65345887,39.5060051,19.36334951,5.591065846,1.016064,0,0,0,165.3007956,215.4307984,148.9930877,97.71650259,60.7407732,31.08374443,0,0,0,7.3899335,7.5878845,7.599643097,7.291721128,7.053031385,6.718464,0,0,0,1.189614566,1.560607694,1.161713723,0.871454548,0.657372959,0.444612905,0,0,0,166.7874742,146.5680974,159.0048455,168.1105729,175.1550526,184.917652,0,0,0,2.09375,2.15625,2.016129032,1.634615385,1.346153846,1,0,0,0,0.17088783,-0.031153572,-0.066109633,-0.007703318,0.006514051,0.013008557,0,0,0,523.7576238,26.4309685,-237.6289289,-185.2531665,-18.57893609,153.1512511,0,0,0,766.4429154,-57.19330087,-307.9200666,-231.2757751,-8.153021144,221.320706,0,0,0,1.03666,0.035866,-0.35967425,-0.25600825,-0.0433955,0.104882,0,0,0,3.391946473,-0.591328798,-1.148558163,-0.809363516,0.024049298,0.829227942,0,0,0,18.82152525,-3.792909478,-5.987636718,-4.105484193,0.218556451,4.256711311,0,0,0,5.9375,0.375,-2.22265625,-1.62890625,-0.2734375,0.78125,0,0,0,0.010680489,-0.001947098,-0.002132569,-1.98E-04,2.51E-04,0.00162607,0,0,0,32.73485148,1.651935531,-7.665449319,-4.750081193,-0.714574465,19.14390639,0,0,0,47.90268221,-3.574581304,-9.932905374,-5.930148078,-0.313577736,27.66508825,0,0,0,0.06479125,0.002241625,-0.011602395,-0.006564314,-0.001669058,0.01311025,0,0,0,0.211996655,-0.03695805,-0.037050263,-0.020752911,9.25E-04,0.103653493,0,0,0,1.176345328,-0.237056842,-0.193149572,-0.105268825,0.008406017,0.532088914,0,0,0,0.37109375,0.0234375,-0.071698589,-0.041766827,-0.010516827,0.09765625,0,0,0,-0.182304217,-0.199669578,-0.018493627,0.023457768,0.152246732,0,0,0,0.050464122,-0.234167836,-0.145107767,-0.021829165,0.584817267,0,0,0,-0.074621736,-0.207355933,-0.123795742,-0.006546142,0.577526914,0,0,0,0.03459765,-0.179073488,-0.101314824,-0.025760542,0.202345996,0,0,0,-0.174333175,-0.174768151,-0.097892633,0.004363149,0.488939285,0,0,0,-0.201519772,-0.164194618,-0.08948803,0.007145876,0.452323736,0,0,0,0.063157895,-0.193208829,-0.112550607,-0.028340081,0.263157895,0,0,0,1.107520365,1.552120506,0.966057203,0.623972776,0.03305192,0,0,0,1.111978186,1.324694594,1.047122857,0.780962508,0,0,0,0,1.418997242,1.264132086,0.996179446,0.740651964,0,0,0,0,0.852838684,1.526247757,1.060227446,0.680462699,0,0,0,0,1.599066754,1.261248431,0.959815144,0.687824614,0,0,0,0,1.638427349,1.267296133,0.950539389,0.67030562,0,0,0,0,0.828947368,1.507640068,1.068825911,0.704453441,0,0,0,0,17.61143424,8.46605325,12.36315014,17.61143424,2.935239039,8.466879986,0.25,0.057814983,0.009635831,-1.710304386,15.76640885,2.627734809,1.654728993,17.61223995,8.467597665,12.36481191,17.61223995,2.935373325,8.46842272,0.249265579,0.057640123,0.009606687,-1.712121828,15.76828788,2.628047981,1.654800496,20.16164663,9.881326074,14.3197314,19.89565031,3.315941718,9.88147755,-0.398994478,5.77E-15,9.62E-16,-19.67133411,4000004.039,666667.3399,9.121083557,17.61308772,8.4692187,12.36655725,17.61308772,2.93551462,8.470041995,0.2484948,0.057456626,0.009576104,-1.714034964,15.77026544,2.628377573,1.65487574,23.98983354,11.45376964,17.08052936,23.26830403,3.878050671,11.45379992,-1.082294264,0.173264547,0.028877425,-1.051761407,33.04315228,5.507192047,2.098688611,17.70666325,8.628502819,12.54370929,17.70666325,2.951110541,8.62917195,0.173134186,0.03963594,0.00660599,-1.936811393,15.99158118,2.66526353,1.663237445,17.4518693,7.806268015,11.74686957,17.4518693,2.908644883,7.808333911,0.571428571,0.13524116,0.022540193,-1.200417433,15.36921108,2.56153518,1.639419737,0,11.9,15.99491589,-0.38063332,0.115952541,5.379741846,6.357017277,6,16,16,16,6,0,0,0,0,0,12.84807,3.54183204,2.750129472,2.638600808,1.456797487,1.276760675,0.703855583,0.083923071,0.083923071,1.885671916,1.372874417,1.142970565,0.666206401,0.54860844,0.083923071,0.083923071,0.083923071,3.51478589,2.792995694,2.544949708,1.556142907,1.342345072,0.497687803,0.270913902,0.270913902,1.858049396,1.285229005,1.112288376,0.522081792,0.401889891,0.270913902,0.270913902,0.270913902,3.676390744,2.981537655,2.833908695,1.9628467,1.808486578,1.135105268,0.943918427,0.943918427,1.654331719,1.018928274,0.764578757,0.037619229,0.127437254,0.943918427,0.943918427,0.943918427,3.52143931,2.824624264,2.538218861,1.62787375,1.414363535,0.439979556,0.399277246,0.399277246,1.840606975,1.228596505,1.091681639,0.425347018,0.303641391,0.399277246,0.399277246,0.399277246,3.720804588,3.072480534,2.895577156,2.141548494,1.995771008,1.208515408,1.207644823,1.207644823,1.6073773,0.933903671,0.695082274,0.135164289,0.314111956,1.207644823,1.207644823,1.207644823,3.803282081,3.013283373,2.896805253,1.786299648,1.715669512,1.348688893,0.666666667,0.666666667,1.68623216,1.119632981,0.788530327,0.230138587,0.07282804,0.666666667,0.666666667,0.666666667,0,0,0,0,0,2,3,0,0,0,0,0,0.125,0,0,0,0,0.072168784,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,3.943782196,2.577350269,1.673032607,1.077350269,0.687087058,0.433012702,0,0,0.657297033,0.429558378,0.278838768,0.179558378,0.11451451,0.072168784,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,1.1869,24.67,21,27,42,7,21,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,36,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.069444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.784722222,0,0,0,0,0,0,0,0,0,0,0,0,0,5.930555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.069444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.069444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.069444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.069444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,1.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.069444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.45,5.069444444,0.215277778,1,2.858527778,0.5,1.569444444,3.138888889,0.5,1.569444444,3.138888889,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.43333,0.49792,0.82778,0.06458,0,-0.06458,0,0.57047,0.14382,0,0,0,0,3.5,0.58333,3.5,0.58333,0,0,-3.5,-0.58333,0,0,4.13051,0.68842,5,0.86949,0.14492,2.49071,0.41512,3,0.50929,0.08488,-0.086,-0.01433,0,0,0.375,6.01,1,1,1,1,0,0,1,1.198192411,1.501614472,2.280639062,2.625,2.625,2.625,19.17107858,24.02583155,36.490225,42,42,42,0.299548103,0.375403618,0.570159766,0.65625,0.65625,0.65625,2.801807589,2.498385528,1.719360938,1.375,1.375,1.375,0.299548103,0.375403618,0.570159766,0.65625,0.65625,0.65625,10.71860945,14.35967418,17.0374325,17.38448807,17.38448807,17.38448807,21.96987352,18.88870097,17.68383437,17.25,17.25,17.25,4.166666667,2.222222222,1.333333333,0,0,0,1.9,0.7632,0,0,0,0,6.083643419,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.402,0.394,0.462,0.261,2.984,6,6,6,6,0,0,0,0,0,36,1.945910149,1.945910149,1.945910149,1.945910149,1.945910149,0,0,0,0,0,3.610917913,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,13,18,3,9.000420062,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,9.23,91.47014983,3.584962501,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,65.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921172722,86.07316494,5.379572809,11.8125,1.96875,2.9375,2.9375,0,27,3,0.884,24,1.285881189,2.222301452,3.001590843,3.842409729,4.381453488,0,0,0,0,0,102.7072829,100.5482493,60.64032659,21.07017027,4.451837157,0,0,0,0,0,306.768031,358.9799367,306.6147308,230.1583811,136.1919805,0,0,0,0,0,9.877419892,16.99053339,22.03000666,27.0898924,29.43663753,0,0,0,0,0,2.144404341,2.730191076,2.708739411,2.499455625,1.948050763,0,0,0,0,0,186.4188033,349.4930778,500.3474224,674.2827223,810.2080914,0,0,0,0,0,2.94348833,4.632666748,5.058595882,5.157248405,4.381453488,0,0,0,0,0,0.48323981,0.634376233,0.630423103,0.581128369,0.448660837,0,0,0,0,0,257.2964383,125.6753519,10.41013292,34.45388754,-16.82885496,-9.814700279,222.8425508,142.5042069,20.2248332,0.881906259,0.430763364,0.03568165,0.118093741,-0.057682386,-0.033640752,75.06631973,36.66582488,3.037159673,10.05193292,-4.909823917,-2.863442005,0.115297002,0.779249491,2.609269783,19.37373889,266.888277,24.86204884,0.914783133,0.085216867,403.8060986,20.09492718,7.391358909,500.6764594,22.37580075,7.940583021,594.3903508,24.38012204,8.407958966,1.221830792,1.021006725,222.0410466,136.5562369,111.2799956,1.626004434,1.995336586,1.227140926,3.309123658,3.781095539,4.928936118,0.303573546,2.78900665,2.230353339,9.808444068,9.694235037,6.509657768,7.376584608,4.96647318,0.779925423,0.628476692,6.87E-15,1.51E-50,6.39E-108,5.22E-187,8.23E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234063024,2.815116404,0.769077964,2.91295698,2.527246893,0.461921917,0.277848522,0.005493187,0.004426413,4.84E-17,1.06E-52,4.50E-110,3.68E-189,5.80E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.755581488,1.727685788,2.260353316,3.857525779,2.935550459,1.544102852,0.902964779,0.057242393,0.046126633,5.04E-16,1.11E-51,4.69E-109,3.83E-188,6.04E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.632594832,2.812897129,9.370018603,9.335585244,6.557528189,6.954228353,4.760571334,0.694899586,0.559961418,6.12E-15,1.34E-50,5.69E-108,4.65E-187,7.33E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.113587564,1.314453509,3.328247978,4.647398683,3.253844833,2.35497342,1.380302164,0.124337859,0.100193212,1.10E-15,2.41E-51,1.02E-108,8.32E-188,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368129211,2.59934954,12.52482864,11.70832251,8.073286699,9.537664127,6.648463736,1.137447576,0.91657419,1.00E-14,2.20E-50,9.32E-108,7.62E-187,1.20E-287,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.859338139,4.579323223,6.724176694,7.438549204,5.86018973,4.738169154,3.373769304,0.346633836,0.279322974,3.05E-15,6.71E-51,2.84E-108,2.32E-187,3.66E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.147446555,1.561672568,0.541545581,0.505202528,0.367394908,0.599794019,0.659985586,0.516806677,4.250664703,5.362265444,11.42906194,0.308896154,1.776586282,1.505237273,1.152077549,0.157473344,0.53476041,0.409294583,0.322021393,0.216660912,0.034005804,2.814788166,2.152606318,5.240476893,0.41608249,0.572688109,1.722262251,1.314339179,0.306810018,0.51512124,0.393113202,0.371519456,0.430094783,0.156623995,3.343411448,3.195296492,7.233214373,0.362351663,0.958238234,2.093655119,1.568037666,0.529208324,0.499571587,0.374152867,0.559846467,0.643578977,0.485581587,4.19090111,5.22072839,11.14898343,0.310586682,1.689007032,1.88248207,1.358426774,0.375248118,0.520575321,0.375654815,0.461123816,0.498468282,0.245802482,3.616156962,3.77335899,8.34910571,0.344345203,1.20539458,2.192180044,1.599345272,0.571125213,0.502488116,0.366599447,0.624296943,0.6911984,0.575131455,4.362650529,5.671488493,12.03653417,0.303631344,1.890626798,2.115206595,1.562882116,0.533162175,0.502275132,0.371120638,0.576484928,0.650450914,0.497058252,4.211250887,5.266836338,11.24062464,0.310093655,1.723994093 +UMLS0077,L,tetrahydropyran,C1CCOCC1,8894,,UML,[1],C5H10O,PubChem,,16.8,0,-1.3374,1.78863876,26.3554,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1047.281597,871.862212,675.105483,478.348754,281.592025,84.835296,9.144576,3461.958223,4376.887272,5442.657723,5088.618011,4081.819666,3075.021321,2068.222976,1061.424631,279.7536999,160.279036,159.125208,296.664116,374.86696,311.98206,249.09716,186.21226,123.32736,60.466176,26.63610648,34.55010896,47.78739401,48.10273616,39.0812073,30.05967844,21.03814958,12.01662072,4.001516144,3846.242925,3210.7269,6649.252193,9053.567731,7574.612576,6095.657421,4616.702266,3137.747111,1664.258868,35.25,42,64.75,73.5,61.25,49,37,24,9,44.61329874,48.14991518,24.93527612,16.14559652,15.00234407,13.28746539,10.42933426,4.713072,1.016064,150.5199227,198.9494215,129.5870886,94.23366687,90.70710369,85.41725893,76.60085098,58.96803508,31.08374443,6.968653739,7.232964,7.063431333,6.941980741,6.932934667,6.919365556,6.89675037,6.85152,6.718464,1.158091586,1.570459498,1.137795096,0.89079141,0.868471273,0.834991068,0.779190725,0.66759004,0.444612905,167.2279533,145.9421318,158.3155284,167.6586617,168.3247239,169.3238172,170.9889728,174.3192839,184.917652,1.532608696,1.909090909,1.541666667,1.361111111,1.361111111,1.361111111,1.37037037,1.333333333,1,0.033165437,-0.004413881,-0.01485432,-9.76E-05,1.04E-05,4.11E-05,-2.27E-04,-0.001768116,0.004726855,589.5388264,-58.58770946,-250.1420564,-15.56236033,-16.47779329,-17.39322625,-18.30865921,-19.22409217,100.9264839,1096.272622,-108.9463475,-465.1498353,-28.93887356,-30.64116024,-32.34344692,-34.0457336,-35.74802028,187.6771065,0.115486609,-0.01147693,-0.049001112,-0.00304856,-0.003227887,-0.003407214,-0.003586541,-0.003765868,0.019770805,4.900848691,-0.487040864,-2.079436188,-0.129370229,-0.136980243,-0.144590256,-0.15220027,-0.159810283,0.839003988,26.62148787,-2.645613702,-11.29553038,-0.70274114,-0.744078854,-0.785416568,-0.826754282,-0.868091996,4.557482978,2.369565217,-0.679584121,-0.75094518,0.04536862,0.037807183,0.030245747,0.27268431,-0.484877127,0.344517958,0.001441976,-2.01E-04,-3.54E-04,-1.81E-06,2.31E-07,1.14E-06,-8.41E-06,-9.82E-05,5.25E-04,25.63212289,-2.663077703,-5.955763248,-0.288191858,-0.366173184,-0.483145173,-0.678098489,-1.06800512,11.21405376,47.66402704,-4.952106706,-11.07499608,-0.535905066,-0.680914672,-0.898429081,-1.260953096,-1.986001127,20.85301183,0.005021157,-5.22E-04,-0.001166693,-5.65E-05,-7.17E-05,-9.46E-05,-1.33E-04,-2.09E-04,0.002196756,0.213080378,-0.022138221,-0.049510385,-0.002395745,-0.003044005,-0.004016396,-0.005637047,-0.008878349,0.093222665,1.157455995,-0.120255168,-0.268941199,-0.013013725,-0.016535086,-0.021817127,-0.030620529,-0.048227333,0.506386998,0.103024575,-0.030890187,-0.017879647,8.40E-04,8.40E-04,8.40E-04,0.010099419,-0.026937618,0.038279773,-0.139136174,-0.245270661,-0.001253869,1.60E-04,7.92E-04,-0.005833771,-0.068120906,0.364226813,-0.103896104,-0.232355442,-0.011243386,-0.014285714,-0.018849206,-0.026455026,-0.041666667,0.4375,-0.103896104,-0.232355442,-0.011243386,-0.014285714,-0.018849206,-0.026455026,-0.041666667,0.4375,-0.103896104,-0.232355442,-0.011243386,-0.014285714,-0.018849206,-0.026455026,-0.041666667,0.4375,-0.103896104,-0.232355442,-0.011243386,-0.014285714,-0.018849206,-0.026455026,-0.041666667,0.4375,-0.103896104,-0.232355442,-0.011243386,-0.014285714,-0.018849206,-0.026455026,-0.041666667,0.4375,-0.299833194,-0.173547401,0.008154944,0.008154944,0.008154944,0.098029222,-0.26146789,0.371559633,1.677769697,1.366325958,0.894779892,0.887272769,0.877345483,0.866368597,0.860088788,0,1.642857143,1.398384354,0.920304233,0.903571429,0.878472222,0.836640212,0.75297619,0,1.642857143,1.398384354,0.920304233,0.903571429,0.878472222,0.836640212,0.75297619,0,1.642857143,1.398384354,0.920304233,0.903571429,0.878472222,0.836640212,0.75297619,0,1.642857143,1.398384354,0.920304233,0.903571429,0.878472222,0.836640212,0.75297619,0,1.642857143,1.398384354,0.920304233,0.903571429,0.878472222,0.836640212,0.75297619,0,1.899082569,1.105286151,0.773700306,0.825280326,0.902650357,0.945633707,1.547400612,0,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,37.65866569,18.76980904,30.52110988,37.57363168,5.367661669,18.76980906,-0.119047619,0,0,0,2000010.429,285715.7756,10.15606407,0,11.89,12.11009426,-0.170505143,0.049799553,5.07776577,7.013266965,6,22,22,22,6,0,0,0,0,0,17.491312,3.46525469,3.158726067,2.704532478,2.18392002,1.697255367,1.33214981,1.12257211,0.083923071,1.904635069,1.708882991,1.416594417,1.091617933,0.812004896,0.62252576,0.520687981,0.083923071,3.495528058,3.197240258,2.75626044,2.253323613,1.787626596,1.442861713,1.247239295,0.270913902,1.841598162,1.631733601,1.320892568,0.975709625,0.676946685,0.473240653,0.363561368,0.270913902,3.627546596,3.364701014,2.978659738,2.546003084,2.15897414,1.884943921,1.734531854,0.943918427,1.65367868,1.397661851,1.021801198,0.601565151,0.227675426,0.035334264,0.179116682,0.943918427,3.517773193,3.225530555,2.794149646,2.303876515,1.852911093,1.522049418,1.335706358,0.399277246,1.801239377,1.581957035,1.258390945,0.899064477,0.586652857,0.37260324,0.257148129,0.399277246,3.691164299,3.444790866,3.083065776,2.679762813,2.323440621,2.074844725,1.939585081,1.207644823,1.594270913,1.322620074,0.923248485,0.474040332,0.069155742,0.220196471,0.379998654,1.207644823,3.521026622,3.299285969,2.904733882,2.41404363,1.958983634,1.637300666,1.463136585,0.608695652,1.780694793,1.496988767,1.127308204,0.758536836,0.446581942,0.225539445,0.101991436,0.608695652,0,0,0,0,0,2,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.9767,34.433,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,4.491388889,0,7.008611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.245694444,0,1.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.245694444,0,1.4375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.5,1.642857143,0.2,2.245694444,0.2,1.361111111,5.318430556,0.138888889,0.245694444,0.982777778,0.138888889,0.245694444,0.982777778,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.28571,0,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,6.60412,0.94345,6.60412,0,0,3.41421,0.48774,3.41421,0,0,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6,0,0,0,0,0,0,1,0.886540893,1.149229762,2.024260067,2.392277173,1.970124741,1.487625831,20.39044053,26.43228451,46.55798153,55.02237498,45.31286904,34.21539412,0.195982923,0.254054166,0.447492504,0.528848106,0.435525093,0.328861602,3.637021063,3.374332195,2.499301889,2.131284783,2.553437215,3.035936125,0.19880132,0.257707677,0.453927819,0.536453382,0.441788306,0.333590905,6.634953582,9.787220006,12.98928415,12.76511603,9.706424984,9.691482087,27.76507516,23.86271421,22.5116657,23.21412863,26.97884693,20.92601136,7,6,6,7,0,7,2.23,1.0949,0.166666667,3.838519496,0,0,5.676240019,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,3.267,5,4,3,2,1,0,0,0,0,28,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.666666667,6,1,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,0,129.6283511,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,100.1252005,4.353269587,12.83378878,1.833398397,0,0,0,56,4,4.323,22,1.224818182,2.112194041,2.841335948,3.57056513,4.901353848,5.894083671,7.18179224,8.149714457,0,0,69.72220731,59.4034463,56.14714166,69.68256275,77.4135141,72.63702886,36.17614296,8.28063147,0,0,268.787596,293.8125543,294.6988841,381.0530723,458.6594575,495.7779935,441.0536558,253.3236414,0,0,8.893455721,14.96836856,19.77594354,24.92903541,34.02469501,40.80037509,49.28997252,54.75356319,0,0,2.059771149,2.528547342,2.688241382,3.483879659,4.351666613,4.900679746,4.934891604,3.623468219,0,0,176.6115071,330.8158767,472.8171045,587.799899,821.6825129,996.274231,1245.251567,1507.026062,0,0,2.404363636,3.343460118,3.971212193,5.170836748,6.894778863,8.422072308,9.785607939,8.149714457,0,0,0.427911136,0.536688141,0.577785236,0.748373511,0.941058902,1.066458971,1.093700566,0.83453076,0,0,403.8379912,161.7305232,9.914490227,160.4510197,-64.25801421,-9.619009784,243.3869714,225.9885374,19.53350001,0.715658082,0.286609379,0.01756988,0.284341918,-0.113874297,-0.017046247,227.8813406,91.26275698,5.594637884,90.54074723,-36.26009128,-5.427901517,0.065916805,0.162717927,1.184070371,10.80765182,564.2890109,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,555.455313,23.56809948,8.220212446,2.458826014,2.458826014,681.77975,661.1727766,43.99483578,1.031167305,15.49681316,15.02841788,4.121686851,4.466158665,8.836778877,0.978608361,4.462408855,5.691183974,2.410082022,20.92741689,9.491973299,0.143514454,3.567246355,8.617290698,8.492784039,1.178950372,2.189116413,7.561028204,4.322884441,0.860264763,2.474850258,0.241081057,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.374499053,5.690851875,0.1631294,5.10903895,0.069892868,0.001194782,0.522969464,0.335029777,3.085440249,0.045373355,0.018276572,0.341267531,0.148779883,0.859561027,0.112752628,0.00169802,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.208928595,5.690874696,0.552386831,6.296414229,0.704467803,0.010905081,1.144317192,1.33728646,3.840405446,0.181768058,0.166693326,1.269832107,0.621296789,0.859696005,0.426540802,0.017694156,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,4.212149946,5.691147735,2.24797607,19.23681457,8.459270626,0.127959831,3.380858771,7.866748499,8.038360349,1.075948388,1.951964785,6.926186272,3.933091809,0.860218614,2.270681911,0.214798927,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,1.781738316,5.690903714,0.840204222,7.717671634,1.522717158,0.023313396,1.570868987,2.229683483,4.462228045,0.303603996,0.356078693,2.069126671,1.058348264,0.859791238,0.691937989,0.038433908,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,5.389004952,5.691336212,3.038161082,28.00697447,13.83323495,0.208874705,4.257377412,11.67269582,10.31541047,1.598476551,3.185555154,10.13053264,5.918549787,0.860439114,3.298422411,0.351593848,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,2.790059979,5.271422266,1.29341061,10.77414828,3.524579563,0.053505869,2.220055489,3.853858754,5.833898592,0.526139591,0.816636886,4.126991507,1.890031116,1.274359293,1.376346639,0.089323358,0.051622884,5.85E-20,1.28E-59,5.38E-121,4.37E-204,0.00E+00,0,0,0,0,0,0,0,0,7.486988036,0.764237729,0.504484187,0.855097768,0.087284496,0.561084185,0.570990352,0.608676381,8.755709952,9.884451656,21.52673877,0.782646652,1.740750917,6.486479406,0.323050456,0.116720337,0.936506655,0.046641465,0.421145182,0.102026394,0.0325825,6.926250199,2.890270753,10.06110377,0.904759983,0.555754076,6.900889174,0.505789825,0.277331773,0.898084266,0.065823675,0.476676624,0.250099025,0.183946102,7.684010772,5.544506943,14.1965164,0.847126399,0.91072175,7.463868768,0.754042988,0.495523928,0.856593087,0.086537964,0.557624361,0.55585822,0.587246714,8.713435684,9.700249819,21.20253277,0.78488963,1.700729296,7.078157472,0.583958583,0.346035065,0.883869119,0.072920525,0.501480661,0.333377214,0.28637266,8.00815112,6.784711634,16.22314707,0.825803678,1.121230536,7.558866057,0.795933276,0.532341716,0.850539675,0.089560104,0.571909155,0.619334317,0.677754382,8.887141048,10.46396123,22.55385797,0.775809512,1.868997853,7.493406288,0.755152712,0.496709602,0.856852617,0.086349859,0.56204658,0.557495536,0.590060367,8.745268601,9.755804536,21.31178691,0.785278926,1.709602483 +UMLS0078,L,Heptane,CCCCCCC,8900,,"Sandia, UML",[1],C7H16,PubChem,,0,0,-1.44,2.0736,14.558,15.46793,0,0,15,5,10,0,5,0,0,0,0,0,0,0,0,0,731.481245,842.391485,968.542685,262.46304,20.32128,0,0,0,0,2428.421953,3264.950672,4567.735558,2916.407216,621.6748886,0,0,0,0,104.88722,108.8789,213.64754,276.72192,134.36928,0,0,0,0,18.39062905,25.0799431,38.43845072,31.1631443,8.892258097,0,0,0,0,2483.148301,2165.197258,4621.010995,6760.803995,3698.35304,0,0,0,0,21.25,26.25,46.25,50,20,0,0,0,0,48.76541633,56.15943233,32.28475617,6.561576,1.016064,0,0,0,0,161.8947969,217.6633782,152.2578519,72.9101804,31.08374443,0,0,0,0,6.992481333,7.258593333,7.121584667,6.918048,6.718464,0,0,0,0,1.226041937,1.671996207,1.281281691,0.779078607,0.444612905,0,0,0,0,165.54322,144.3464838,154.0336998,169.0200999,184.917652,0,0,0,0,1.416666667,1.75,1.541666667,1.25,1,0,0,0,0,0.020906774,2.17E-18,-0.010453387,-0.013937849,0.013937849,0,0,0,0,403.5533633,7.82E-14,-201.7766817,-269.0355756,269.0355756,0,0,0,0,750.4247115,2.42E-13,-375.2123557,-500.283141,500.283141,0,0,0,0,0.079053333,1.13E-15,-0.039526667,-0.052702222,0.052702222,0,0,0,0,3.354747616,-1.33E-15,-1.677373808,-2.236498411,2.236498411,0,0,0,0,18.22304229,5.37E-14,-9.111521147,-12.14869486,12.14869486,0,0,0,0,0.833333333,-2.91E-16,-0.416666667,-0.555555556,0.555555556,0,0,0,0,0.001393785,1.45E-19,-3.48E-04,-3.48E-04,6.97E-04,0,0,0,0,26.90355756,5.21E-15,-6.725889389,-6.725889389,13.45177878,0,0,0,0,50.0283141,1.61E-14,-12.50707852,-12.50707852,25.01415705,0,0,0,0,0.005270222,7.53E-17,-0.001317556,-0.001317556,0.002635111,0,0,0,0,0.223649841,-8.88E-17,-0.05591246,-0.05591246,0.111824921,0,0,0,0,1.214869486,3.58E-15,-0.303717372,-0.303717372,0.607434743,0,0,0,0,0.055555556,-1.94E-17,-0.013888889,-0.013888889,0.027777778,0,0,0,0,1.04E-16,-0.25,-0.25,0.5,0,0,0,0,1.94E-16,-0.25,-0.25,0.5,0,0,0,0,3.22E-16,-0.25,-0.25,0.5,0,0,0,0,1.43E-14,-0.25,-0.25,0.5,0,0,0,0,-3.97E-16,-0.25,-0.25,0.5,0,0,0,0,2.95E-15,-0.25,-0.25,0.5,0,0,0,0,-3.50E-16,-0.25,-0.25,0.5,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,0,11.9,12.10006119,-0.152797442,0.047263744,6.091,6.291061186,5,15,15,15,5,0,0,0,0,0,10.93207,3.573186822,2.459820995,2.459820995,1.19006016,1.19006016,0.083923071,0.083923071,0.083923071,1.724171079,1.724171079,0.757863935,0.757863935,0.489263751,0.083923071,0.083923071,0.083923071,3.600648477,2.510897621,2.510897621,1.30885592,1.30885592,0.270913902,0.270913902,0.270913902,1.655976007,1.655976007,0.62194973,0.62194973,0.329734575,0.270913902,0.270913902,0.270913902,3.72034929,2.734801489,2.734801489,1.778468089,1.778468089,0.943918427,0.943918427,0.943918427,1.452583651,1.452583651,0.172849073,0.172849073,0.223569137,0.943918427,0.943918427,0.943918427,3.620820476,2.548571849,2.548571849,1.39352899,1.39352899,0.399277246,0.399277246,0.399277246,1.612285733,1.612285733,0.531260614,0.531260614,0.22154323,0.399277246,0.399277246,0.399277246,3.778078745,2.841861735,2.841861735,1.978039144,1.978039144,1.207644823,1.207644823,1.207644823,1.38842831,1.38842831,0.016182923,0.016182923,0.429566078,1.207644823,1.207644823,1.207644823,3.666666667,2.634421018,2.634421018,1.577575475,1.577575475,0.666666667,0.666666667,0.666666667,1.528942797,1.528942797,0.349720363,0.349720363,0,0.666666667,0.666666667,0.666666667,0,0,0,0,0,0,5,0,0,0,0,0.176776695,0,0,0,0,0.176776695,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.535533906,2.5,1.767766953,1.25,0.883883476,0,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0,0,0,3.535533906,2.5,1.767766953,1.25,0.883883476,0,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0,0,0,7.709139019,14.43918427,13.62745098,13.8,8.992772455,115.1412754,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.9505,23.085,14,18.61803399,28,5.6,14.000001,1.11E-16,2.22E-17,-18.36840028,19.22543377,3.845086753,1.478117039,20,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,7.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.5,1.5,0.2,1.5,0.2,1.5,3.615,0,0,0,0,0,0,2.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0,0,0,2.5,0.5,2.5,0.5,0,0,-2.5,-0.5,0,0,3.75,0.75,3.75,0,0,2.5,0.5,2.5,0,0,-0.086,-0.0172,0,0,0.333333333,5,0,0,0,0,0,0,1,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,13.77443751,13.77443751,13.77443751,13.77443751,13.77443751,13.77443751,0.235045188,0.235045188,0.235045188,0.235045188,0.235045188,0.235045188,2.988594762,2.988594762,2.988594762,2.988594762,2.988594762,2.988594762,0.235045188,0.235045188,0.235045188,0.235045188,0.235045188,0.235045188,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,19.74937501,19.74937501,19.74937501,19.74937501,19.74937501,19.74937501,3.2,1.44,0.64,0,0,0,2.01,0.7045,0,0,0,0,7.071067812,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.071,0.064,0.277,0.248,2.625,5,5,5,0,0,0,0,0,0,25,1.791759469,1.791759469,1.791759469,1.791759469,0,0,0,0,0,0,3.258096538,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,8.618033989,12,2.4,6.006204681,0,0,0,13.96759521,2.793519041,1.318370009,0,82.67992313,3.321928095,3.044522438,3.713572067,4.394449155,5.081404365,5.771441123,6.463029457,7.155396302,7.848153086,8.541105011,62.013073,2.397895273,0,3.433987204,2.397895273,4.615120517,4.262679877,5.860786223,5.888877958,7.147559271,7.6989362,70.07825032,4.671883355,9.6875,1.9375,0,0,0,15,0,2.845,20,1.380498507,2.484266497,3.279932063,4.048814736,0,0,0,0,0,0,101.0958852,89.89445501,22.7176085,4.113854896,0,0,0,0,0,0,355.5494789,407.3068427,248.1617826,125.8523225,0,0,0,0,0,0,10.09589115,17.76333594,22.73377477,27.20181605,0,0,0,0,0,0,2.606958365,3.364602219,2.627464214,1.800155281,0,0,0,0,0,0,194.5749375,377.4425534,550.9455779,748.6973145,0,0,0,0,0,0,2.549621641,3.933472861,4.153836385,4.048814736,0,0,0,0,0,0,0.53723541,0.708711425,0.576363513,0.414598629,0,0,0,0,0,0,251.4392006,66.37673319,6.637673319,48.99699897,-12.93458108,-2.586916217,202.4422017,79.31131428,9.224589536,0.836913797,0.220934539,0.022093454,0.163086203,-0.043052672,-0.008610534,75.54143787,19.94197346,1.994197346,14.72047216,-3.886016384,-0.777203277,0.1,0.2,2.48873043,1.018936307,300.4361996,0,1,0,216.1789932,14.70302667,6.001656887,313.0493541,17.69320079,6.790018184,307.0246732,17.52211954,6.74617743,1.332033716,1.328393467,185.6462196,125.2829221,90.98938609,1.481815849,2.040306321,1.376896004,3.393045837,3.649051612,5.316433721,0.456935743,2.789005534,1.595883903,1.493127232,7.63514318,8.374240208,9.286193548,3.940990778,2.489683679,0.639207697,0.034401405,5.09E-21,1.45E-61,8.01E-124,8.51E-208,1.74427113153E-313,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234061908,1.595673376,0.710359182,2.273149056,0.368275307,1.229888338,0.098832744,0.058791918,0.004501992,2.42E-04,3.59E-23,1.02E-63,5.64E-126,6.00E-210,1.22850442E-315,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.755580372,1.595687837,0.845719232,3.105905253,1.144690634,2.080408281,0.471854478,0.28872558,0.046914228,0.002524868,3.74E-22,1.07E-62,5.88E-125,6.25E-209,1.2801963237E-314,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.632593716,1.595860928,1.436567888,7.214290405,7.580669175,8.512121333,3.560291888,2.246671137,0.56952255,0.030651032,4.54E-21,1.30E-61,7.14E-124,7.58E-208,1.5541141751E-313,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.113586447,1.59570623,0.945890347,3.755282631,1.932365913,2.900001878,0.850029248,0.525626878,0.101903973,0.005484352,8.12E-22,2.32E-62,1.28E-124,1.36E-208,2.7807574837E-314,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368128095,1.59598042,1.712349782,9.298506628,11.65702306,12.47114245,5.515734397,3.496401189,0.932224353,0.050171216,7.43E-21,2.12E-61,1.17E-123,1.24E-207,2.54385551597E-313,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.859337023,1.595766675,1.173507762,5.311140406,4.23894235,5.223522694,1.956997273,1.225779399,0.28409231,0.015289513,2.26E-21,6.47E-62,3.56E-124,3.78E-208,7.75231614E-314,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.168440624,1.616749416,0.679760138,0.485658414,0.362097975,0.436060584,0.407952779,0.458130378,4.464950179,6.078846418,12.92691676,0.271634584,1.302143741,1.569985278,1.08064732,0.218458841,0.547206428,0.376651405,0.228852413,0.1821441,0.046783153,2.869091439,2.275654509,5.515383302,0.385786749,0.457779666,1.807641563,1.293555632,0.401717536,0.516039271,0.369279795,0.303219962,0.261047213,0.15897384,3.502914731,3.58409022,8.02633501,0.327978598,0.723241014,2.15362163,1.603475674,0.668343909,0.486645631,0.362331256,0.430130979,0.401274563,0.442764086,4.425441213,5.964312992,12.69773279,0.27346533,1.274169628,1.913588372,1.388463751,0.483383737,0.505513353,0.366790986,0.339734522,0.300792682,0.230643131,3.78543586,4.253106383,9.322867738,0.308456508,0.871170335,2.214835801,1.658306378,0.715500024,0.482677817,0.361393699,0.454887229,0.429218021,0.507951058,4.588642203,6.444109656,13.66069496,0.266107273,1.392056308,2.15753944,1.606984959,0.671362133,0.486382919,0.362269176,0.43169469,0.403034764,0.446800856,4.435886533,5.994492562,12.75808119,0.272978143,1.281530309 +UMLS0079,L,Cyclopentane,C1CCCC1,9253,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C5H10,PubChem,,16.6,0,-2.016,4.064256,20.3812,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1355.959759,1377.297103,367.448256,28.449792,0,0,0,3399.790734,4570.930941,6394.829782,7047.588415,4082.970102,870.3448441,0,0,0,146.842108,152.43046,299.106556,440.1943,387.410688,188.116992,0,0,0,25.74688067,35.11192034,53.81383101,63.15070202,43.62840202,12.44916134,0,0,0,3476.407621,3031.276161,6469.415393,10352.68609,9465.125593,5177.694257,0,0,0,29.75,36.75,64.75,85.75,70,28,0,0,0,48.76541633,56.15943233,32.28475617,21.86185878,6.561576,1.016064,0,0,0,161.8947969,217.6633782,152.2578519,111.8664828,72.9101804,31.08374443,0,0,0,6.992481333,7.258593333,7.121584667,6.987211111,6.918048,6.718464,0,0,0,1.226041937,1.671996207,1.281281691,1.002392095,0.779078607,0.444612905,0,0,0,165.54322,144.3464838,154.0336998,164.3283506,169.0200999,184.917652,0,0,0,1.416666667,1.75,1.541666667,1.361111111,1.25,1,0,0,0,0.029269484,2.17E-18,-0.014634742,2.17E-19,-0.019512989,0.019512989,0,0,0,564.9747087,5.90E-13,-282.4873543,-1.60E-13,-376.6498058,376.6498058,0,0,0,1050.594596,0,-525.297298,1.42E-13,-700.3963974,700.3963974,0,0,0,0.110674667,1.58E-15,-0.055337333,1.30E-17,-0.073783111,0.073783111,0,0,0,4.696646663,7.55E-15,-2.348323331,2.08E-15,-3.131097775,3.131097775,0,0,0,25.51225921,2.26E-14,-12.75612961,6.44E-15,-17.00817281,17.00817281,0,0,0,1.166666667,-4.02E-16,-0.583333333,-3.75E-16,-0.777777778,0.777777778,0,0,0,0.001393785,1.03E-19,-3.48E-04,3.44E-21,-3.48E-04,6.97E-04,0,0,0,26.90355756,2.81E-14,-6.725889389,-2.54E-15,-6.725889389,13.45177878,0,0,0,50.0283141,0,-12.50707852,2.26E-15,-12.50707852,25.01415705,0,0,0,0.005270222,7.53E-17,-0.001317556,2.07E-19,-0.001317556,0.002635111,0,0,0,0.223649841,3.60E-16,-0.05591246,3.30E-17,-0.05591246,0.111824921,0,0,0,1.214869486,1.08E-15,-0.303717372,1.02E-16,-0.303717372,0.607434743,0,0,0,0.055555556,-1.92E-17,-0.013888889,-5.95E-18,-0.013888889,0.027777778,0,0,0,7.41E-17,-0.25,2.47E-18,-0.25,0.5,0,0,0,1.04E-15,-0.25,-9.43E-17,-0.25,0.5,0,0,0,0,-0.25,4.51E-17,-0.25,0.5,0,0,0,1.43E-14,-0.25,3.92E-17,-0.25,0.5,0,0,0,1.61E-15,-0.25,1.48E-16,-0.25,0.5,0,0,0,8.88E-16,-0.25,8.41E-17,-0.25,0.5,0,0,0,-3.45E-16,-0.25,-1.07E-16,-0.25,0.5,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,0,11.9,12.10010405,-0.152797442,0.047306612,6.8165,7.016604054,7,21,21,21,7,0,0,0,0,0,15.304898,3.573186822,2.945817421,2.945817421,1.753131121,1.753131121,1.122946561,1.122946561,0.083923071,1.840961226,1.840961226,1.114249919,1.114249919,0.614914746,0.614914746,0.489263751,0.083923071,3.600648477,2.984115995,2.984115995,1.834262961,1.834262961,1.247019953,1.247019953,0.270913902,1.778043787,1.778043787,1.008390927,1.008390927,0.466222489,0.466222489,0.329734575,0.270913902,3.72034929,3.152527083,3.152527083,2.176961494,2.176961494,1.732917972,1.732917972,0.943918427,1.590937281,1.590937281,0.678084935,0.678084935,0.038370948,0.038370948,0.223569137,0.943918427,3.620820476,3.012359315,3.012359315,1.893471859,1.893471859,1.335136272,1.335136272,0.399277246,1.737796762,1.737796762,0.939236481,0.939236481,0.366102466,0.366102466,0.22154323,0.399277246,3.778078745,3.233982116,3.233982116,2.332680125,2.332680125,1.937675008,1.937675008,1.207644823,1.531967921,1.531967921,0.57007717,0.57007717,0.22064231,0.22064231,0.429566078,1.207644823,3.666666667,3.076806853,3.076806853,2.026128512,2.026128512,1.525851121,1.525851121,0.666666667,1.661122191,1.661122191,0.804503713,0.804503713,0.163160582,0.163160582,1.78E-15,0.666666667,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.949747468,3.5,2.474873734,1.75,1.237436867,0.875,0.618718434,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0.088388348,0,4.949747468,3.5,2.474873734,1.75,1.237436867,0.875,0.618718434,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0.088388348,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.7307,32.319,30,36.69202147,60,8.571428571,30,1.00E-16,1.43E-17,-25.78731353,175.0832053,25.01188648,3.615682924,42,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,0,0,10.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.5,1.5,0.2,1.5,0.2,1.5,5.061,0,0,0,0,0,0,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0,0,0,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.41667,0.91667,6.41667,0,0,3.5,0.5,3.5,0,0,-0.086,-0.01229,0,0,0.333333333,7,0,0,0,0,0,0,1,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,19.28421252,19.28421252,19.28421252,19.28421252,19.28421252,19.28421252,0.209068641,0.209068641,0.209068641,0.209068641,0.209068641,0.209068641,3.474021589,3.474021589,3.474021589,3.474021589,3.474021589,3.474021589,0.209068641,0.209068641,0.209068641,0.209068641,0.209068641,0.209068641,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,27.64912502,27.64912502,27.64912502,27.64912502,27.64912502,27.64912502,5.142857143,3.06122449,1.959183673,0,0,0,2.23,0.9863,0,0,0,0,11.55674537,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.071,0.064,0.277,0.248,3.623,7,7,7,7,7,0,0,0,0,49,2.079441542,2.079441542,2.079441542,2.079441542,2.079441542,2.079441542,0,0,0,0,3.912023005,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,17.04891734,24,3.428571429,12.00002171,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,0,117.2718924,3.807354922,3.36729583,4.043051268,4.727387819,5.416100402,6.107022888,6.799055862,7.491645474,8.184513753,8.877521454,69.01359475,2.708050201,0,3.761200116,0,4.94875989,2.708050201,6.196444128,4.844187086,7.475905969,7.862497197,98.10955045,4.671883355,13.890625,1.984375,0,0,0,42,7,3.983,28,1.237139684,2.1277256,2.805837885,3.415636646,3.983938154,0,0,0,0,0,80.41435058,74.91635217,63.82139281,22.77902886,4.047936137,0,0,0,0,0,294.8345942,341.4884864,323.4814951,251.8032662,123.8357154,0,0,0,0,0,9.014891653,15.19149396,19.63689512,23.64274917,26.76594507,0,0,0,0,0,2.207144943,2.832423094,2.878826781,2.683188449,1.771310316,0,0,0,0,0,176.3978478,324.9720625,458.6340643,576.2589537,736.7004893,0,0,0,0,0,2.227064289,3.338157183,3.861948153,4.286093848,3.983938154,0,0,0,0,0,0.456596072,0.597124747,0.615691475,0.589311014,0.407955267,0,0,0,0,0,264.8230398,97.8738538,6.990989557,19.84409907,-7.334023703,-1.047717672,244.9789408,105.2078775,8.038707229,0.930290166,0.343818588,0.024558471,0.069709834,-0.025763507,-0.003680501,75.38641706,27.86146993,1.990104995,5.648962907,-2.087755544,-0.298250792,0.071428571,0.142857143,1.831389567,0.426803127,284.6671389,0,1,0,458.574433,21.4143511,7.711460042,594.1929381,24.37607307,8.407028029,757.7517979,27.52729187,9.116797851,1.048628695,1.03460627,244.5795166,163.9902344,135.0089725,1.491427325,1.81157972,1.214661747,3.353752729,3.525316625,5.262672839,0.492822744,4.42617716,5.257378854,8.450149804,13.39485808,9.935328749,13.88482253,5.936232225,3.884511853,3.851198768,0.003579908,2.45E-24,3.24E-67,8.25E-132,4.06E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331360145,5.186369363,0.678511001,3.615835624,1.517439649,0.561151528,0.365130626,0.02793616,0.027124308,2.52E-05,1.73E-26,2.28E-69,5.81E-134,2.86E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.096092781,5.19111491,2.209641811,4.739362343,2.373321918,2.140878135,1.266360698,0.286584195,0.2826562,2.63E-04,1.80E-25,2.38E-68,6.06E-133,2.98E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.150340161,5.249582829,7.954838391,12.48750335,9.114907176,12.66589146,5.511701894,3.46142758,3.431348767,0.003189634,2.18E-24,2.89E-67,7.35E-132,3.61E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.642170847,5.19726726,3.277112959,5.769715351,3.21691922,3.563776384,1.955085488,0.621078749,0.613967038,5.71E-04,3.91E-25,5.16E-68,1.32E-132,6.47E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.476039294,5.290159963,10.30624811,17.10487855,13.31938102,18.85585328,7.60285256,5.663312717,5.616611461,0.00522096,3.58E-24,4.72E-67,1.20E-131,5.92E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.83488047,5.217650114,5.543592927,8.593299137,5.643567533,7.412564045,3.572888111,1.728118186,1.711643897,0.00159107,1.09E-24,1.44E-67,3.67E-132,1.80E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.9039582,1.595267167,0.755762437,0.447465019,0.374916978,0.471037561,0.48157632,0.485494334,4.254987804,5.681905094,12.23238678,0.233572995,1.438108215,1.394088407,1.098686704,0.277259512,0.503274723,0.396632842,0.252442913,0.228292772,0.065242853,2.770034622,2.222812007,5.417515707,0.349861347,0.545978538,1.596585012,1.295914909,0.467309904,0.475201007,0.385710792,0.331152031,0.317685732,0.185454931,3.359809826,3.420732184,7.74742411,0.291367699,0.834292693,1.891334561,1.582973479,0.743916507,0.448372186,0.375270084,0.464807718,0.474175608,0.470377615,4.218224547,5.578527552,12.02398787,0.235463404,1.409360941,1.686849169,1.383826508,0.552021233,0.465633535,0.381987934,0.369678196,0.362287165,0.258854555,3.622696909,4.029384767,8.94066848,0.271432204,0.990819916,1.943479664,1.633755348,0.792848734,0.444723666,0.373849895,0.49081026,0.505117223,0.534369761,4.370083746,6.011376545,12.89889004,0.227860341,1.530297243,1.894671976,1.586223667,0.747048318,0.448130816,0.375176133,0.466450714,0.476126614,0.474350857,4.227943961,5.605770765,12.07887397,0.234960423,1.416928185 +UMLS0080,L,Cycloheptane,C1CCCCCC1,9265,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C7H14,PubChem,,-1,0,-2.304,5.308416,23.2928,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1549.668296,1574.053832,996.997348,226.227456,16.257024,0,0,3885.475125,5223.921076,7308.376893,8054.38676,6360.319153,2830.465684,497.3399109,0,0,167.819552,174.20624,341.836064,503.0792,472.917136,328.87296,107.495424,0,0,29.42500648,40.12790896,61.50152116,72.17223088,61.01663088,32.04432192,7.113806478,0,0,3973.037281,3464.315612,7393.617592,11831.64124,11324.46382,8367.325628,2958.682432,0,0,34,42,74,98,89,56,16,0,0,48.76541633,56.15943233,32.28475617,21.86185878,14.66172571,4.713072,1.016064,0,0,161.8947969,217.6633782,152.2578519,111.8664828,93.53410519,58.96803508,31.08374443,0,0,6.992481333,7.258593333,7.121584667,6.987211111,6.954663765,6.85152,6.718464,0,0,1.226041937,1.671996207,1.281281691,1.002392095,0.897303395,0.66759004,0.444612905,0,0,165.54322,144.3464838,154.0336998,164.3283506,166.5362326,174.3192839,184.917652,0,0,1.416666667,1.75,1.541666667,1.361111111,1.308823529,1.166666667,1,0,0,0.033450839,1.73E-18,-0.016725419,-1.08E-18,-0.01115028,-4.55E-18,0.01115028,0,0,645.6853813,6.75E-13,-322.8426907,-1.60E-13,-215.2284604,-8.42E-13,215.2284604,0,0,1200.679538,0,-600.3397692,1.42E-13,-400.2265128,1.42E-13,400.2265128,0,0,0.126485333,2.94E-15,-0.063242667,3.90E-17,-0.042161778,-2.88E-15,0.042161778,0,0,5.367596186,1.24E-14,-2.683798093,-4.72E-16,-1.789198729,-1.25E-14,1.789198729,0,0,29.15686767,-1.14E-13,-14.57843384,6.66E-16,-9.718955891,1.14E-13,9.718955891,0,0,1.333333333,-4.58E-16,-0.666666667,-4.86E-16,-0.444444444,1.80E-16,0.444444444,0,0,0.001393785,7.23E-20,-3.48E-04,-1.51E-20,-1.64E-04,-9.49E-20,6.97E-04,0,0,26.90355756,2.81E-14,-6.725889389,-2.22E-15,-3.165124418,-1.75E-14,13.45177878,0,0,50.0283141,0,-12.50707852,1.97E-15,-5.885684011,2.96E-15,25.01415705,0,0,0.005270222,1.22E-16,-0.001317556,5.42E-19,-6.20E-04,-5.99E-17,0.002635111,0,0,0.223649841,5.16E-16,-0.05591246,-6.55E-18,-0.026311746,-2.60E-16,0.111824921,0,0,1.214869486,-4.74E-15,-0.303717372,9.25E-18,-0.142925822,2.38E-15,0.607434743,0,0,0.055555556,-1.91E-17,-0.013888889,-6.75E-18,-0.006535948,3.76E-18,0.027777778,0,0,5.19E-17,-0.25,-1.08E-17,-0.117647059,-6.81E-17,0.5,0,0,1.05E-15,-0.25,-8.25E-17,-0.117647059,-6.52E-16,0.5,0,0,0,-0.25,3.95E-17,-0.117647059,5.92E-17,0.5,0,0,2.32E-14,-0.25,1.03E-16,-0.117647059,-1.14E-14,0.5,0,0,2.31E-15,-0.25,-2.93E-17,-0.117647059,-1.16E-15,0.5,0,0,-3.90E-15,-0.25,7.62E-18,-0.117647059,1.96E-15,0.5,0,0,-3.43E-16,-0.25,-1.21E-16,-0.117647059,6.77E-17,0.5,0,0,1.4375,1.4375,0.958333333,1.014705882,0.71875,0,0,0,1.4375,1.4375,0.958333333,1.014705882,0.71875,0,0,0,1.4375,1.4375,0.958333333,1.014705882,0.71875,0,0,0,1.4375,1.4375,0.958333333,1.014705882,0.71875,0,0,0,1.4375,1.4375,0.958333333,1.014705882,0.71875,0,0,0,1.4375,1.4375,0.958333333,1.014705882,0.71875,0,0,0,1.4375,1.4375,0.958333333,1.014705882,0.71875,0,0,0,32,16,22.82842712,32,4,16.00000052,5.33E-15,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,32,16,22.82842712,32,4,16.00000052,5.33E-15,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,32,16,22.82842712,32,4,16.00000052,5.33E-15,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,32,16,22.82842712,32,4,16.00000052,5.33E-15,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,32,16,22.82842712,32,4,16.00000052,5.33E-15,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,32,16,22.82842712,32,4,16.00000052,5.33E-15,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,32,16,22.82842712,32,4,16.00000052,5.33E-15,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,0,11.9,12.10012615,-0.152797442,0.047328706,6.997875,7.198001148,8,24,24,24,8,0,0,0,0,0,17.491312,3.573186822,3.081433849,3.081433849,2.028500884,2.028500884,1.270833524,1.270833524,1.056465515,1.972542445,1.601124015,1.601124015,0.944577813,0.944577813,0.583297216,0.583297216,0.489263751,3.600648477,3.116946261,3.116946261,2.095899225,2.095899225,1.383461819,1.383461819,1.185878035,1.914964133,1.526761479,1.526761479,0.824985323,0.824985323,0.431818797,0.431818797,0.329734575,3.72034929,3.272942385,3.272942385,2.386450742,2.386450742,1.833651535,1.833651535,1.687973407,1.74405498,1.303946671,1.303946671,0.442532316,0.442532316,0.085189605,0.085189605,0.223569137,3.620820476,3.143118662,3.143118662,2.145396886,2.145396886,1.464075869,1.464075869,1.27745173,1.878174485,1.479012186,1.479012186,0.746119641,0.746119641,0.329627854,0.329627854,0.22154323,3.778078745,3.348444081,3.348444081,2.521841838,2.521841838,2.026932228,2.026932228,1.897819044,1.690174221,1.233500967,1.233500967,0.314197015,0.314197015,0.273414305,0.273414305,0.429566078,3.666666667,3.202811926,3.202811926,2.257333958,2.257333958,1.640186762,1.640186762,1.474809634,1.808142967,1.387733658,1.387733658,0.590667291,0.590667291,0.121931697,0.121931697,1.77E-15,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.656854249,4,2.828427125,2,1.414213562,1,0.707106781,0.5,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0.088388348,0.0625,5.656854249,4,2.828427125,2,1.414213562,1,0.707106781,0.5,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0.088388348,0.0625,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.1208,36.936,40,48,80,10,40,3.33E-16,4.16E-17,-28.51055062,26.73718884,3.342148605,2.628844349,64,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,1.5,0.2,1.5,0.2,1.5,5.784,0,0,0,0,0,0,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0,0,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,7.83333,0.97917,7.83333,0,0,4,0.5,4,0,0,-0.086,-0.01075,0,0,0.333333333,8,0,0,0,0,0,0,1,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,22.03910002,22.03910002,22.03910002,22.03910002,22.03910002,22.03910002,0.200284263,0.200284263,0.200284263,0.200284263,0.200284263,0.200284263,3.666666667,3.666666667,3.666666667,3.666666667,3.666666667,3.666666667,0.200284263,0.200284263,0.200284263,0.200284263,0.200284263,0.200284263,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,31.59900002,31.59900002,31.59900002,31.59900002,31.59900002,31.59900002,6.125,3.9375,2.8125,0,0,0,2.34,1.1272,0,0,0,0,13.76640469,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.071,0.064,0.277,0.248,4.122,8,8,8,8,8,8,0,0,0,64,2.197224577,2.197224577,2.197224577,2.197224577,2.197224577,2.197224577,2.197224577,0,0,0,4.17438727,1,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,22.82842712,32,4,16.00000052,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,0,134.567877,4,3.496507561,4.17438727,4.859812404,5.549076085,6.240275845,6.932447892,7.625107148,8.318010278,9.01103541,72.20665989,2.833213344,0,3.891820298,0,5.081404365,0,6.357842267,0,7.685703061,8.001355026,112.1252005,4.671883355,15.9375,1.9921875,0,0,0,64,8,4.552,32,1.24369445,2.144761693,2.837412989,3.440145052,3.889620775,4.164121839,0,0,0,0,81.35996807,76.13956799,65.75272132,49.25953794,17.74057831,4.231014292,0,0,0,0,297.6106482,345.8192376,330.3207034,320.7870502,224.9020855,129.436499,0,0,0,0,9.064317968,15.31600472,19.86405408,23.93243263,26.6285269,27.97650267,0,0,0,0,2.225425528,2.864285526,2.92993763,3.088110846,2.560997967,1.851422307,0,0,0,0,177.2289551,327.3780749,463.3667738,572.2363634,679.7315415,770.0196332,0,0,0,0,2.241812512,3.369482628,3.915051955,4.509255513,4.511225897,4.164121839,0,0,0,0,0.460283128,0.603695071,0.626278291,0.668649731,0.569362897,0.426406076,0,0,0,0,288.6484858,121.9192138,7.61995086,54.8778968,-23.17930063,-2.897412579,233.770589,145.0985144,10.51736344,0.840251289,0.35490495,0.022181559,0.159748711,-0.067474587,-0.008434323,99.15837018,41.88246647,2.617654155,18.85200537,-7.962701298,-0.995337662,0.0625,0.125,1.106102413,0.33021084,343.5263826,0,1,0,509.6870498,22.57624968,7.987935199,664.6796271,25.7813814,8.727116815,888.1957202,29.80261264,9.61249718,1.13975568,1.13975568,322.7245613,209.577726,198.3087774,1.53988006,1.627384151,1.056825264,3.649119862,3.615580989,5.455465417,0.508876563,4.463237866,8.375333797,7.343761211,18.81147766,15.53925671,17.03586309,13.35806737,4.114133286,4.209239483,0.822753343,1.33E-13,4.13E-48,2.48E-104,2.88E-182,6.45E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374504896,6.800227882,0.495738643,5.852388174,3.853918419,2.138598392,0.771591999,0.153107076,0.029646023,0.005794719,9.34E-16,2.91E-50,1.75E-106,2.03E-184,4.54E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208989444,6.90548007,1.679166921,7.460788833,5.002461582,3.957340825,2.721060885,0.620870392,0.308934377,0.06038544,9.73E-15,3.03E-49,1.82E-105,2.11E-183,4.73E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212888581,8.202401138,6.848682869,17.65133687,14.38639101,15.69152228,12.36830336,3.751090172,3.750356602,0.733058416,1.18E-13,3.68E-48,2.21E-104,2.57E-182,5.74E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781870483,7.041944619,2.555212871,8.872760499,6.15809739,5.568719322,4.243311642,1.043155896,0.671046735,0.131165246,2.11E-14,6.59E-49,3.96E-105,4.59E-183,1.03E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.390213985,9.102492194,9.262932396,23.52342455,20.3045452,22.50424266,17.27163605,5.595196188,6.138780178,1.199908427,1.93E-13,6.03E-48,3.62E-104,4.20E-182,9.40E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.975307689,7.494069027,4.546489958,12.61876749,9.52526758,9.873917735,7.895267012,2.187305038,1.870773119,0.365668152,5.89E-14,1.84E-48,1.10E-104,1.28E-182,2.86E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.006707551,1.886360124,0.874493221,0.420908635,0.395665659,0.501372473,0.478849791,0.555316132,4.767560897,7.189834398,15.26767842,0.224861442,1.535538396,1.489292526,1.388789456,0.379679153,0.457152156,0.426301806,0.276914447,0.262602476,0.104306936,3.257761136,3.161061488,7.20411824,0.325180943,0.643823859,1.694422217,1.586771938,0.576210439,0.439264841,0.411357403,0.358119243,0.34136407,0.240588509,3.857404594,4.579319951,9.985959441,0.275933367,0.940071822,1.993864028,1.874074745,0.862243735,0.421519471,0.396195018,0.495013235,0.472780134,0.539822492,4.730182509,7.071756196,15.02384195,0.226571734,1.507615861,1.786026052,1.67485488,0.663809433,0.433008516,0.406055905,0.397684095,0.37950656,0.319502118,4.124690365,5.288699858,11.39906625,0.258596631,1.096692773,2.046926247,1.924813539,0.912842865,0.419058575,0.394058956,0.521545869,0.498086496,0.605247762,4.884582651,7.565525678,16.04666481,0.219676297,1.624880127,1.997259441,1.87732287,0.865482239,0.421357013,0.396054284,0.496690507,0.474381298,0.54389725,4.74006455,7.102882999,15.08807392,0.226116945,1.514969055 +UMLS0081,L,Cyclooctane,C1CCCCCCC1,9266,Sandia values from independent api report and because source [9] does not seem 100% reliable should go with these,"Sandia, UML",[9],C8H16,PubChem,,12.8,0,2.2365,5.00193225,44.6375,22.50793,6,6,19,9,10,0,9,0,0,0,0,0,0,0,0,0,1308.537729,1419.447969,1662.600922,1416.490328,939.333869,598.313019,249.249337,41.401584,2.032128,4122.48956,4959.018279,6362.595601,6046.274113,4441.11192,3010.796674,1590.079788,499.6285713,62.16748886,135.049284,139.040964,216.959464,263.542112,239.323892,168.898476,118.229284,54.945216,13.436928,29.54622905,36.2355431,48.82202339,49.25253375,38.21010813,26.39967927,15.25415772,5.563697454,0.88922581,2990.325725,2672.374682,4393.984724,5709.269567,5456.066916,3850.317405,2831.115954,1383.955903,369.835304,48.02777778,55.16666667,73.66666667,79.33333333,67,51.5,32,12,2,68.87040679,74.70778784,55.42003073,38.28352238,27.62746674,24.92970913,14.66172571,5.175198,1.016064,216.9731347,261.0009621,212.08652,163.4128139,130.6209388,125.4498614,93.53410519,62.45357141,31.08374443,7.107857053,7.317945474,7.231982133,7.122759784,7.038938,7.0374365,6.954663765,6.868152,6.718464,1.555064687,1.907133847,1.62740078,1.331149561,1.12382671,1.099986636,0.897303395,0.695462182,0.444612905,157.3855645,140.651299,146.4661575,154.3045829,160.4725563,160.4298919,166.5362326,172.9944879,184.917652,2.527777778,2.903508772,2.455555556,2.144144144,1.970588235,2.145833333,1.882352941,1.5,1,0.068739837,-0.005161092,-0.03060296,-0.004323125,0.005390259,-0.006355469,-0.003657572,0.003770945,0.006569095,573.4705689,3.91E-13,-153.5962109,-148.2304044,-19.45104854,-74.45056509,9.390161363,45.27399229,54.32879074,1066.393011,-2.84E-14,-285.6187129,-275.6407666,-36.17005534,-138.4440049,17.46140603,84.18892192,101.0267063,0.112338947,9.37E-16,-0.030088443,-0.029037319,-0.003810327,-0.014584355,0.001839468,0.008868864,0.010642637,4.767272928,8.22E-15,-1.276848539,-1.232242476,-0.161696977,-0.618909117,0.078060609,0.376363652,0.451636383,25.89590221,5.55E-14,-6.935861527,-6.693560688,-0.878340543,-3.361924146,0.424026469,2.044413332,2.453295999,6.271929825,-0.919590643,-2.224684518,-1.434518313,1.628885811,-0.268928901,-0.314943059,-0.067713143,0.465527855,0.003617886,-2.72E-04,-0.001020099,-1.17E-04,1.59E-04,-2.65E-04,-2.15E-04,4.71E-04,0.003284548,30.18266152,2.06E-14,-5.119873695,-4.006227145,-0.572089663,-3.102106879,0.552362433,5.659249036,27.16439537,56.12594795,-1.50E-15,-9.520623763,-7.449750448,-1.063825157,-5.768500206,1.027141531,10.52361524,50.51335315,0.005912576,4.93E-17,-0.001002948,-7.85E-04,-1.12E-04,-6.08E-04,1.08E-04,0.001108608,0.005321319,0.250909101,4.32E-16,-0.042561618,-0.033303851,-0.004755793,-0.02578788,0.004591801,0.047045457,0.225818191,1.362942221,2.92E-15,-0.231195384,-0.180907046,-0.025833545,-0.140080173,0.024942733,0.255551667,1.226647999,0.33010157,-0.048399508,-0.074156151,-0.038770765,0.047908406,-0.011205371,-0.018526062,-0.008464143,0.232763927,-0.075081523,-0.281959856,-0.03229544,0.043820351,-0.07319501,-0.059468784,0.130288262,0.90786374,6.81E-16,-0.16962963,-0.132732733,-0.018954248,-0.102777778,0.018300654,0.1875,0.9,-2.67E-17,-0.16962963,-0.132732733,-0.018954248,-0.102777778,0.018300654,0.1875,0.9,8.34E-15,-0.16962963,-0.132732733,-0.018954248,-0.102777778,0.018300654,0.1875,0.9,1.72E-15,-0.16962963,-0.132732733,-0.018954248,-0.102777778,0.018300654,0.1875,0.9,2.14E-15,-0.16962963,-0.132732733,-0.018954248,-0.102777778,0.018300654,0.1875,0.9,-0.146620047,-0.224646465,-0.117451017,0.145132319,-0.033945221,-0.056122309,-0.025641026,0.705128205,1.071530675,1.177759696,0.899874365,0.846686059,1.127783519,1.124376095,0.878124806,0.009626125,1,1.14,1.078378378,0.95,1.029166667,0.894117647,0.7125,0,1,1.14,1.078378378,0.95,1.029166667,0.894117647,0.7125,0,1,1.14,1.078378378,0.95,1.029166667,0.894117647,0.7125,0,1,1.14,1.078378378,0.95,1.029166667,0.894117647,0.7125,0,1,1.14,1.078378378,0.95,1.029166667,0.894117647,0.7125,0,1.208391608,1.00979021,0.958797959,0.678794735,1.210751748,1.266145619,1.076223776,0,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,42.42855265,20.93947997,33.716216,42.30951421,4.701057135,20.93947997,-0.285185185,0.297465968,0.033051774,-1.091209907,37.38254931,4.15361659,3.2590836,0,11.85,12.15009716,-0.209893471,0.090224319,5.318792434,8.528380906,9,19,15,12,2,4,1,0,0,7,10.93207,3.785508504,3.262401811,2.659969356,2.619181914,1.925846213,0.959727413,0.941428501,0.744727258,1.981365574,1.643786832,1.141766734,1.082250302,0.778814321,0.356428861,0.310513972,0.232278944,3.797457395,3.286728087,2.686019585,2.645815032,1.988626361,1.079054691,1.053336623,0.872930974,1.949605717,1.585656155,1.060330712,1.007167592,0.667974583,0.196589796,0.150156259,0.064327708,3.851724481,3.39635421,2.812285422,2.771820215,2.260007251,1.560301238,1.517793787,1.389197011,1.862951357,1.418726352,0.839786049,0.798620231,0.312366743,0.352943724,0.396843083,0.518143877,3.806343921,3.304797075,2.705833948,2.665925019,2.034803841,1.16494069,1.134811365,0.965217967,1.930031842,1.548962927,1.009894615,0.960278991,0.594846724,0.088455115,0.041902902,0.049661526,3.87937647,3.451193644,2.88066792,2.838078588,2.386331092,1.766725721,1.721464227,1.60937037,1.837677693,1.368183706,0.778470925,0.738564276,0.192502856,0.554265436,0.594311107,0.73341648,3.770537103,3.428746661,2.71924511,2.674482089,2.051728856,1.24906029,1.195162774,1.027993705,1.968035766,1.495715701,0.942895994,0.933669113,0.554010772,0.00307107,0.036501315,0.13113769,0,0,1,6,1,0,1,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.65464793,0.637136847,0.204124145,0.244531073,0.191638319,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,5.378315178,3.080733574,1.978397839,1.22286449,0.780760001,0.445809975,0.146277398,0.058264155,0.597590575,0.34230373,0.197839784,0.111169499,0.065063333,0.037150831,0.024379566,0.014566039,11.70913902,18.43918427,17.62745098,17.8,12.99277246,142.1120539,0.616270475,0.970483383,0.927760578,0.936842105,0.683830129,7.479581784,2.34129,40.073,37.50463196,54.26687178,75.00926391,8.334362657,37.50463196,0.136437528,0.015159725,-1.792699594,35.3218919,3.924654656,3.208052645,81,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,5,0,0,1,0,7,0,0,0,0,0,0,0,0,0,1,1,0,1,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.19361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.3875,2.153194444,0,0,0.449583333,0,2.962916667,0,0,0,0,0,0,0,0,0,3.655963719,0.973055556,0,1.912037037,10.29922147,0,0,0,0,1.326388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.326388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.3875,0.422222222,0,0,0.449583333,0,0.3875,0,0,0,0,0,0,0,0,0,3.655963719,0.973055556,0,1.912037037,2.02042517,0,0,0,0,1.326388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.655963719,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.3875,0.44,0,0,0.449583333,0,0.44,0,0,0,0,0,0,0,0,0,3.655963719,0.973055556,0,1.912037037,2.098888889,0,0,0,0,1.326388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.16666667,2.018518519,0.449583333,3.655963719,0.1875,0.973055556,5.511724607,0.526944444,0.655963719,1.91037037,0.526944444,0.655963719,1.91037037,4.5,0.5,0,0,0.48947,0.7,0.43333,0.43333,0.7,0.05614,0.05614,0,0,0.71429,0,0,0.11111,0.11111,0,11.5,1.27778,4.5,0.5,7,0.77778,2.5,0.27778,0,0,3.99002,0.44334,9.45555,5.46552,0.60728,1.88478,0.20942,4.43185,2.54706,0.28301,-0.01785,-0.00198,0.06815,0.00757,0.315789474,9,0,0,0,0,0,0,0.111111111,0.998000884,2.268472752,3.070847094,3.576617645,3.826874882,3.826874882,18.96201679,43.10098228,58.34609478,67.95573525,72.71062276,72.71062276,0.234938304,0.534018705,0.722904777,0.841967673,0.900880458,0.900880458,3.24992663,1.979454762,1.17708042,0.671309869,0.421052632,0.421052632,0.220622795,0.501479315,0.678855982,0.790664012,0.84598706,0.84598706,6.618775012,17.68782693,21.30512694,24.5657265,24.817942,24.817942,32.44785067,25.45838126,21.16220865,17.02910309,16.43842401,16.43842401,7.111111111,3.92,2.380165289,3,6,3,2.45,1.0961,0,2.085481947,0.333333333,0,9.563073858,4.445544946,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.156,0.16,0.593,0.791,4.311,10,11,12,12,6,4,2,0,0,75,2.63905733,3.020424886,3.425889994,3.884137802,4.282724121,3.684180933,3.595598464,3.446011397,0,0,5.690148283,3.9325,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.222222222,2,0.222222222,0,3,6,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.04,0,0,0,0,0.111111111,0.044444444,0.0234375,0.030222222,0.030092593,0.04,0,0,0,0,0.27930787,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,0,130.4180268,4.169925001,3.663561646,4.394449155,5.153291594,5.905361848,6.673297968,7.430707083,8.200562797,8.959440144,9.729669736,78.11034197,2.944438979,0,4.077537444,0,5.433722004,0,6.886531643,0,8.379997952,8.639410824,118.0782503,6.214644754,17.70058553,1.966731726,0,0,0,94,8,3.33,38,1.234384407,2.199485521,3.021962295,3.841739795,4.795809984,5.631663304,6.823369844,7.891858252,0,0,101.3289235,130.3824571,121.8330223,117.9230695,130.6964617,89.8042312,35.98668825,8.018633063,0,0,343.462572,487.6086729,512.7423441,535.883529,632.1279577,557.4891006,431.2303933,245.308505,0,0,9.062311056,15.94197313,21.57311859,27.12064441,33.81400411,39.27660755,46.88821296,53.02116556,0,0,2.469633901,3.698910925,4.142314705,4.526655884,5.457429068,5.271603385,4.786070569,3.508822022,0,0,171.802727,319.7942963,462.7398801,610.7971643,764.8818916,929.3463435,1178.472046,1459.343898,0,0,3.682106475,5.523120587,6.620866267,7.876871244,10.62566589,11.07458266,10.3534033,7.891858252,0,0,0.507053598,0.767340061,0.869811027,0.958915976,1.160095518,1.137905306,1.05916583,0.808126285,0,0,249.8685352,135.8724953,13.78947825,109.9759342,-59.80226598,-7.857726972,139.892601,195.6747613,21.64720522,0.694379257,0.377586727,0.038320662,0.305620743,-0.166189204,-0.021836453,89.91381046,48.89296599,4.962067482,39.57423167,-21.51951467,-2.827559593,0.114087926,0.188166619,2.869627232,4.710398785,359.8444694,0,1,0,685.4526174,26.18115004,8.817100947,784.0214766,28.00038351,9.220956781,1114.252481,33.38042062,10.36719347,2.139680182,2.139680182,585.5984553,519.1329616,109.9729061,1.128031735,5.324933898,4.720553273,4.140590823,4.557162436,7.912267499,0.736226788,3.442403505,2.942086905,4.360877271,9.779856507,3.936675562,4.345255588,2.951605387,7.067741441,4.642632662,4.814938657,1.157397363,0.611217223,0.666403773,0.416040123,0.654715896,1.00E-15,4.13E-52,3.30E-110,5.10E-190,1.52E-291,0,0,0,0,0,0,0,0,0,0,0.289017388,2.942043843,0.33122095,3.916771932,1.043520389,1.163021309,0.265384927,1.170937111,0.516843861,1.071927453,0.168419125,0.051597864,0.029924236,0.003644965,0.004611218,7.06E-18,2.91E-54,2.33E-112,3.59E-192,1.07E-293,0,0,0,0,0,0,0,0,0,0,0.932690722,2.942046922,1.091482971,4.493263288,1.333307376,1.751870912,0.775502742,2.068108481,1.130623272,1.535988715,0.369713883,0.165709778,0.113732815,0.032371349,0.048052443,7.36E-17,3.03E-53,2.42E-111,3.74E-191,1.11E-292,0,0,0,0,0,0,0,0,0,0,3.249355466,2.942082249,4.09215315,9.201484899,3.653157039,4.128963501,2.773644045,6.59831655,4.309260827,4.479675762,1.096648777,0.576915866,0.611126597,0.371176415,0.583340076,8.93E-16,3.68E-52,2.94E-110,4.54E-190,1.35E-291,0,0,0,0,0,0,0,0,0,0,1.374552287,2.942050731,1.631870269,5.073183236,1.621541204,2.17412443,1.137024125,2.774992352,1.619774952,1.943618672,0.508067682,0.244079163,0.184955928,0.068556034,0.104376326,1.60E-16,6.58E-53,5.27E-111,8.12E-191,2.42E-292,0,0,0,0,0,0,0,0,0,0,4.157173499,2.942106441,5.380856795,12.17046136,5.107228105,5.170474473,3.625858963,8.928920961,5.968694035,6.176755764,1.382553717,0.738267238,0.88959173,0.60442407,0.954841603,1.46E-15,6.02E-52,4.82E-110,7.43E-190,2.21E-291,0,0,0,0,0,0,0,0,0,0,1.79836366,2.254610588,2.03558746,5.033947587,1.869686818,2.320304126,1.617580705,3.149159246,2.004972061,2.719386709,0.64664148,0.310430196,0.244191593,0.106673987,0.160689467,2.46E-16,1.01E-52,8.11E-111,1.25E-190,3.72E-292,0,0,0,0,0,0,0,0,0,0,5.478788136,1.382040338,0.462242758,0.748154423,0.188724142,0.51782695,0.39368805,0.308351738,7.323071232,10.74327449,21.56640453,0.622231635,1.219866738,4.262891747,0.747061917,0.184194559,0.820710454,0.143827609,0.31303834,0.113768186,0.048736351,5.194148223,4.107450286,9.888192621,0.731065681,0.475542877,4.665117196,0.957031816,0.277141824,0.790792881,0.162228282,0.375028326,0.187436701,0.110887275,5.899290837,6.022798216,13.15943462,0.686189321,0.673352302,5.439005174,1.361260992,0.45325979,0.749842933,0.187668866,0.510303049,0.381820822,0.296548443,7.253525956,10.48619279,21.09561144,0.624764399,1.188672314,4.874432248,1.066355445,0.325073196,0.777934961,0.170184986,0.409536992,0.233170755,0.152700242,6.265860888,7.129068207,15.0846197,0.666902442,0.795407989,5.607678822,1.449359449,0.491307876,0.742901652,0.192010199,0.542586268,0.433395294,0.348068293,7.548346147,11.59472077,23.13619246,0.614352478,1.324049855,5.467914609,1.358011147,0.451826494,0.751319146,0.186597606,0.515668066,0.379893364,0.295099687,7.27775225,10.50962309,21.142408,0.62697872,1.190661116 +UMLS0082,L,2-propenyl benzene,C=CCC1=CC=CC=C1,9309,"Sandia values from independent API report, going with sandia values until MON from UML is confirmed, then can readjust; API report vals seem solid, we'll go with those","Sandia, UML",[1],C9H10,UML,,2,0,2.1982,4.83208324,24.6289,16.801516,0,0,17,5,12,0,5,0,0,0,0,0,0,0,0,0,733.513373,722.34154,1023.06255,435.855168,54.867456,0,0,0,0,2490.589442,3070.907003,4290.94574,4130.518189,1678.522199,0,0,0,0,118.324148,115.573648,211.276248,256.234752,362.797056,0,0,0,0,19.27985486,24.51813172,35.43128658,40.08759516,24.00909686,0,0,0,0,2852.983605,2344.647997,4817.248533,5512.411718,9985.553209,0,0,0,0,29.5625,34,51,72,54,0,0,0,0,43.14784547,45.14634625,34.102085,12.107088,1.016064,0,0,0,0,146.5052613,191.9316877,143.0315247,114.7366164,31.08374443,0,0,0,0,6.960244,7.223353,7.0425416,7.117632,6.718464,0,0,0,0,1.134109109,1.532383233,1.181042886,1.11354431,0.444612905,0,0,0,0,167.822565,146.5404998,160.5749511,153.1225477,184.917652,0,0,0,0,1.738970588,2.125,1.7,2,1,0,0,0,0,0.022809858,-0.007216765,0.01702135,-0.050984715,0.029775202,0,0,0,0,427.2917965,-60.32354774,185.9976055,-904.8532161,565.53326,0,0,0,0,794.5673416,-112.1742129,345.8704899,-1682.613194,1051.633246,0,0,0,0,0.083703529,-0.011816969,0.036435654,-0.177254533,0.110784083,0,0,0,0,3.552085711,-0.501470924,1.546202015,-7.522063859,4.701289912,0,0,0,0,19.29498596,-2.723998018,8.398993888,-40.85997027,25.53748142,0,0,0,0,3,-2.25,4.125,-6.75,3.375,0,0,0,0,0.001341756,-4.51E-04,5.67E-04,-0.001416242,5.51E-04,0,0,0,0,25.13481156,-3.770221734,6.199920184,-25.13481156,10.47283815,0,0,0,0,46.73925539,-7.010888308,11.52901633,-46.73925539,19.47468974,0,0,0,0,0.004923737,-7.39E-04,0.001214522,-0.004923737,0.002051557,0,0,0,0,0.208946218,-0.031341933,0.051540067,-0.208946218,0.087060924,0,0,0,0,1.134999174,-0.170249876,0.279966463,-1.134999174,0.472916323,0,0,0,0,0.176470588,-0.140625,0.1375,-0.1875,0.0625,0,0,0,0,-0.336162226,0.422862408,-1.055513609,0.410948394,0,0,0,0,-0.15,0.246666667,-1,0.416666667,0,0,0,0,-0.15,0.246666667,-1,0.416666667,0,0,0,0,-0.15,0.246666667,-1,0.416666667,0,0,0,0,-0.15,0.246666667,-1,0.416666667,0,0,0,0,-0.15,0.246666667,-1,0.416666667,0,0,0,0,-0.796875,0.779166667,-1.0625,0.354166667,0,0,0,0,1.881266148,0.574860964,2.462608686,0,0,0,0,0,1.7,0.906666667,2.266666667,0,0,0,0,0,1.7,0.906666667,2.266666667,0,0,0,0,0,1.7,0.906666667,2.266666667,0,0,0,0,0,1.7,0.906666667,2.266666667,0,0,0,0,0,1.7,0.906666667,2.266666667,0,0,0,0,0,2.375,0.066666667,2.666666667,0,0,0,0,0,13.21110255,6.605551275,8.605551275,13.21110255,2.64222051,6.608188235,0,1.11E-16,2.22E-17,-18.36840028,4000000,800000,7.60090246,13.21110255,6.605551275,8.605551275,13.21110255,2.64222051,6.608188235,0,1.11E-16,2.22E-17,-18.36840028,4000000,800000,7.60090246,13.21110255,6.605551275,8.605551275,13.21110255,2.64222051,6.608188235,0,1.11E-16,2.22E-17,-18.36840028,4000000,800000,7.60090246,13.21110255,6.605551275,8.605551275,13.21110255,2.64222051,6.608188235,0,1.11E-16,2.22E-17,-18.36840028,4000000,800000,7.60090246,13.21110255,6.605551275,8.605551275,13.21110255,2.64222051,6.608188235,0,1.11E-16,2.22E-17,-18.36840028,4000000,800000,7.60090246,13.21110255,6.605551275,8.605551275,13.21110255,2.64222051,6.608188235,0,1.11E-16,2.22E-17,-18.36840028,4000000,800000,7.60090246,18.32737207,9.073686034,11.73668603,18.21937207,3.643874413,9.073857014,-0.18,0,0,0,4000000,800000,7.60090246,0,11.89,12.11005553,-0.160865699,0.060072524,5.749051819,7.648394946,4,16,16,16,4,0,0,0,0,0,13.118484,3.488531903,2.333552793,2.333552793,2.333552793,0.491581102,0.083923071,0.083923071,0.083923071,1.896189934,1.249629723,1.249629723,1.249629723,0.083923071,0.083923071,0.083923071,0.083923071,3.515113137,2.405454588,2.405454588,2.405454588,0.591028181,0.270913902,0.270913902,0.270913902,1.835227416,1.134540686,1.134540686,1.134540686,0.270913902,0.270913902,0.270913902,0.270913902,3.63390493,2.704236987,2.704236987,2.704236987,0.967956913,0.943918427,0.943918427,0.943918427,1.657943416,0.76031856,0.76031856,0.76031856,0.943918427,0.943918427,0.943918427,0.943918427,3.53480624,2.457539916,2.457539916,2.457539916,0.661026396,0.399277246,0.399277246,0.399277246,1.79655539,1.058262671,1.058262671,1.058262671,0.399277246,0.399277246,0.399277246,0.399277246,3.692707108,2.838982085,2.838982085,2.838982085,1.207644823,1.207644823,1.207644823,1.207644823,1.603537667,0.631337262,0.631337262,0.631337262,1.118475382,1.207644823,1.207644823,1.207644823,3.505996902,2.56382137,2.56382137,2.56382137,0.598764148,0.540540541,0.540540541,0.540540541,1.807463753,0.942199748,0.942199748,0.942199748,0.540540541,0.540540541,0.540540541,0.540540541,0,0,0,0,0,4,0,0,1,0,0,0,0,0,0,0,0,0,0,2,0.5,0,0,2,0.5,0,0,0,0,0,0,0,0,4.5,2,3,0,0,0,0,0,0.9,0.5,0.5,0,0,0,0,0,4.5,2,3,0,0,0,0,0,0.9,0.5,0.5,0,0,0,0,0,8.250966823,16.32702112,15.35294118,15.56,9.791326946,131.4268359,0.48535099,0.960413007,0.903114187,0.915294118,0.575960409,7.730990349,2.0524,25.129,6.605551275,8.605551275,13.21110255,2.64222051,6.608188235,1.11E-16,2.22E-17,-18.36840028,4000000,800000,7.60090246,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.8,0,0,0,0,0,0,0,0,0,0,0,8.75,0,0,0,0,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.1875,0,0,0,0,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.1875,0,0,0,0,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.25,1.85,0.2,2.1875,0,0.5,3.9025,0.75,0.1875,1.5,0.75,0.1875,1.5,2.5,0.5,0,0,0.41765,0.7,0.41765,0.41765,0.7,0,0,0,0,0.71429,0,0,0.8,0,0.2,2,0.4,2,0.4,0,0,-2,-0.4,0,0,5,1,5,0,0,2,0.4,2,0,0,0.414,0.0828,0.414,0.0828,0,4,0,0,0,0,0,0,1,0.873981048,1.086312841,1.086312841,0.84587385,0.354706123,0,14.85767782,18.46731829,18.46731829,14.37985545,6.030004086,0,0.213819937,0.265767025,0.265767025,0.206943496,0.086779045,0,3.213481793,3.001150001,3.001150001,3.241588991,3.732756719,4.087462841,0.218495262,0.27157821,0.27157821,0.211468463,0.088676531,0,6.588780814,9.136762326,9.136762326,6.251494438,0.357481709,0,19.83472123,17.48713287,17.48713287,16.04449893,4.256473473,0,5,1,0,5,0,3,2.01,0.8131,3,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,1.857,6,0,0,0,0,0,0,0,0,15,1.609437912,1.945910149,0,0,0,0,0,0,0,0,2.772588722,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,1,2,1,3,0,0,0,0,0,0,0,0,0,0.75,0,0,0,0,0,0,0,0,0,0.75,6.605551275,8.605551275,13.21110255,2.64222051,6.608188235,1.11E-16,2.22E-17,-18.36840028,4000000,800000,7.60090246,0,95.03638183,3.321928095,3.044522438,3.496507561,4.394449155,4.859812404,5.771441123,6.240275845,7.155396302,7.625107148,8.541105011,60.12861699,2.197224577,0,3.496507561,0,4.859812404,0,6.240275845,0,7.625107148,7.913521017,72.09390038,4.24081767,8.5,1.7,0,0,0,16,0,3.161,20,1.2155,2.089680001,2.951054531,3.345220546,0,0,0,0,0,0,65.03495578,82.9226238,35.7286769,3.398958169,0,0,0,0,0,0,257.0304509,332.1578517,338.5940116,103.9819805,0,0,0,0,0,0,8.812494779,14.7919132,21.00452016,22.47474381,0,0,0,0,0,0,1.991404788,2.670940567,3.286129981,1.487328224,0,0,0,0,0,0,176.0959978,330.1405622,451.8729882,618.5903289,0,0,0,0,0,0,2.621375,3.797092162,5.902109062,3.345220546,0,0,0,0,0,0,0.414511875,0.561278171,0.708253087,0.342550584,0,0,0,0,0,0,318.048688,89.62008045,7.468340038,101.2961064,-28.54331913,-5.901015446,216.7525816,118.1633996,13.36935548,0.758441961,0.213714542,0.017809545,0.241558039,-0.068066468,-0.014071989,133.3720616,37.5817142,3.131809517,42.47799488,-11.96949229,-2.474560108,0.083333333,0.214040178,2.912736355,9.868049077,419.3447943,0,1,0,248.3262766,15.75837163,6.285515363,364.5707096,19.09373482,7.143766615,388.0098072,19.69796454,7.293694481,1.174792123,1.174792123,111.5585111,111.5578554,111.5569507,1.000005878,1.000013988,1.00000811,3.118319096,2.151830091,4.101713045,0.906150984,3.346806641,3.794192617,2.341218372,11.50449954,1.143433969,0.645864664,4.265803745,1.55E-06,1.08E-34,1.46E-84,3.80E-156,1.91E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.28087429,3.793901775,0.108501027,6.370526232,0.022508231,0.005283852,0.030044405,1.09E-08,7.62E-37,1.03E-86,2.68E-158,1.34E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.906696446,3.793921682,0.408227865,7.418479637,0.121059099,0.049291103,0.31308586,1.14E-07,7.94E-36,1.07E-85,2.79E-157,1.40E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.15911246,3.794160852,2.149338884,11.19020137,1.028732158,0.575959861,3.800754337,1.38E-06,9.64E-35,1.30E-84,3.38E-156,1.70E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336303737,3.793947064,0.660306027,8.137866795,0.227386282,0.10525826,0.680064324,2.47E-07,1.73E-35,2.33E-85,6.06E-157,3.04E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041753714,3.794326077,3.114330541,12.66820418,1.620443004,0.939535631,6.221273855,2.26E-06,1.58E-34,2.13E-84,5.54E-156,2.78E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.955767212,2.771379256,0.771489888,10.17073539,0.389029481,0.191504655,1.246399925,4.52E-07,3.16E-35,4.27E-85,1.11E-156,5.57E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.271438023,1.271421825,1.271410086,0.33333719,0.333332944,0.467509755,0.514625393,0.50476374,3.814269934,4.84955171,10.71909934,5.79E-06,1.486898889,0.773613241,0.773600693,0.773591598,0.333338244,0.333332837,0.173080488,0.190522207,0.186870322,2.320805532,1.795379439,4.579154586,7.37E-06,0.550473017,0.982980593,0.982966509,0.982956302,0.333337671,0.333332895,0.279441042,0.30760213,0.301706918,2.948903404,2.898677096,6.797349251,6.51E-06,0.88875009,1.260225045,1.260208929,1.260197249,0.333337205,0.333332942,0.459300058,0.505588274,0.495899762,3.780631223,4.764390814,10.54640033,5.81E-06,1.460788093,1.071156777,1.071142048,1.071131372,0.333337497,0.333332913,0.331822919,0.365263292,0.358263302,3.213430197,3.442044544,7.884449172,6.24E-06,1.055349512,1.306213917,1.306197464,1.30618554,0.333337147,0.333332948,0.493433804,0.543162225,0.532753839,3.91859692,5.118467274,11.26564309,5.72E-06,1.569349868,1.261865304,1.261849155,1.261837451,0.333337208,0.333332942,0.460496449,0.506905227,0.497191472,3.785551909,4.776801085,10.57155616,5.81E-06,1.464593149 +UMLS0083,L,"2,2-Dimethylpropane",CC(C)(C)C,10041,"""neopentane""","Sandia, UML",[1],C5H12,PubChem,,5.3,0,2.1291,4.53306681,33.3946,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1531.545633,1380.178806,481.578048,54.867456,0,0,0,3461.958223,4376.887272,6343.167377,7546.541765,5529.286689,1678.522199,0,0,0,160.279036,159.125208,296.75898,384.494424,558.565632,362.797056,0,0,0,26.63610648,34.55010896,51.81309115,66.16993845,60.09517588,24.00909686,0,0,0,3846.242925,3210.7269,6671.119844,8301.419053,13833.70606,9985.553209,0,0,0,39.34027778,45.83333333,68.5,103.5,117,54,0,0,0,44.61329874,48.14991518,36.46537221,25.55886678,5.945408,1.016064,0,0,0,150.5199227,198.9494215,151.0277947,139.7507734,68.26279863,31.08374443,0,0,0,6.968653739,7.232964,7.06569,7.120267111,6.895872,6.718464,0,0,0,1.158091586,1.570459498,1.233645027,1.225369231,0.741915752,0.444612905,0,0,0,167.2279533,145.9421318,158.8361868,153.7299825,170.7864946,184.917652,0,0,0,1.71044686,2.083333333,1.630952381,1.916666667,1.444444444,1,0,0,0,0.030588158,-0.009555993,0.016606589,-0.02663582,-0.025211088,0.029502233,0,0,0,589.5388264,-58.58770946,234.1219796,-657.738582,-418.1240046,605.5589032,0,0,0,1096.272622,-108.9463475,435.3598184,-1223.09298,-777.5194411,1126.062639,0,0,0,0.115486609,-0.01147693,0.045862888,-0.128846473,-0.081907622,0.118624832,0,0,0,4.900848691,-0.487040864,1.946260952,-5.467794697,-3.475873664,5.034023928,0,0,0,26.62148787,-2.645613702,10.57212038,-29.70114757,-18.88100091,27.34489787,0,0,0,3.818236715,-2.62505251,2.877205419,-1.377599244,-3.965855388,3.182183365,0,0,0,0.00132992,-4.34E-04,3.95E-04,-4.93E-04,-3.11E-04,5.46E-04,0,0,0,25.63212289,-2.663077703,5.574332848,-12.18034411,-5.162024748,11.21405376,0,0,0,47.66402704,-4.952106706,10.36570996,-22.64986999,-9.599005446,20.85301183,0,0,0,0.005021157,-5.22E-04,0.001091974,-0.002386046,-0.001011205,0.002196756,0,0,0,0.213080378,-0.022138221,0.046339546,-0.101255457,-0.042912021,0.093222665,0,0,0,1.157455995,-0.120255168,0.251717152,-0.550021251,-0.233098777,0.506386998,0,0,0,0.166010292,-0.119320569,0.068504891,-0.025511097,-0.048961178,0.058929322,0,0,0,-0.326608638,0.297307362,-0.370891452,-0.234035141,0.41080492,0,0,0,-0.103896104,0.21747449,-0.475198413,-0.201388889,0.4375,0,0,0,-0.103896104,0.21747449,-0.475198413,-0.201388889,0.4375,0,0,0,-0.103896104,0.21747449,-0.475198413,-0.201388889,0.4375,0,0,0,-0.103896104,0.21747449,-0.475198413,-0.201388889,0.4375,0,0,0,-0.103896104,0.21747449,-0.475198413,-0.201388889,0.4375,0,0,0,-0.718754044,0.412654481,-0.15367178,-0.294928568,0.354973905,0,0,0,1.865358531,0.68757046,1.680400774,1.140016188,2.22E-05,0,0,0,1.642857143,0.968112245,1.756944444,1.003968254,0,0,0,0,1.642857143,0.968112245,1.756944444,1.003968254,0,0,0,0,1.642857143,0.968112245,1.756944444,1.003968254,0,0,0,0,1.642857143,0.968112245,1.756944444,1.003968254,0,0,0,0,1.642857143,0.968112245,1.756944444,1.003968254,0,0,0,0,2.317096315,0.394410429,1.513812009,1.280404871,0,0,0,0,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,36.10604471,17.91284378,26.4792645,35.90578961,5.129398515,17.91284381,-0.280357143,0.059904311,0.008557759,-1.97050477,17.90059046,2.557227209,2.019383589,0,11.89,12.11009426,-0.158279836,0.063161064,6.069125,8.904305318,6,22,22,22,6,0,0,0,0,0,17.491312,3.592210092,2.93473753,2.333552793,2.333552793,2.333552793,1.348564318,0.407859446,0.083923071,1.94842146,1.567579594,1.249629723,1.249629723,1.249629723,0.515601121,0.083923071,0.083923071,3.614885488,2.979392306,2.405454588,2.405454588,2.405454588,1.443680088,0.523383986,0.270913902,1.893841151,1.480174507,1.134540686,1.134540686,1.134540686,0.374584505,0.270913902,0.270913902,3.71701589,3.173591803,2.704236987,2.704236987,2.704236987,1.833306235,0.962616639,0.943918427,1.737865518,1.211712533,0.76031856,0.76031856,0.76031856,0.094802763,0.943918427,0.943918427,3.631722385,3.012216013,2.457539916,2.457539916,2.457539916,1.512321251,0.604822485,0.399277246,1.859471835,1.423475741,1.058262671,1.058262671,1.058262671,0.280302821,0.399277246,0.399277246,3.768138429,3.266108607,2.838982085,2.838982085,2.838982085,2.005337396,1.207644823,1.207644823,1.690770406,1.124849596,0.631337262,0.631337262,0.631337262,0.260760981,1.138209059,1.207644823,3.583739518,3.07441959,2.588679096,2.588679096,2.588679096,1.529446746,0.602848506,0.556291391,1.893648603,1.343323548,0.919804923,0.919804923,0.919804923,0.222356381,0.556291391,0.556291391,0,0,0,0,0,5,0,1,1,0,0,0,0,0,0,0,0,0,0,1.654700538,0.288675135,0.866025404,0.288675135,1.654700538,0.288675135,0.866025404,0.288675135,2.598076211,0.577350269,0,2.598076211,0.577350269,0,6.077350269,2.943375673,3.520725942,1.732050808,0,0,0,0,0.868192896,0.490562612,0.391191771,0.288675135,0,0,0,0,6.077350269,2.943375673,3.520725942,1.732050808,0,0,0,0,0.868192896,0.490562612,0.391191771,0.288675135,0,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.6885,34.293,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,11.28472222,0,0,0,0,0,0.798611111,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.25,0,0,0,0,0,0.798611111,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.261574074,0,0,0,0,0,0.798611111,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.58333333,1.797619048,0.2,2.261574074,0,0.5,5.336909722,0.75,0.261574074,2.569444444,0.75,0.261574074,2.569444444,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.71429,0.14286,0.14286,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,8.30939,1.18706,8.30939,0,0,2.94337,0.42048,2.94337,0,0,0.47063,0.06723,0.47063,0.06723,0,6,0,0,0,0,0,0,1,0.886540893,1.236186283,1.681899068,2.315127716,1.921774503,1.035405623,20.39044053,28.43228451,38.68367855,53.24793747,44.20081356,23.81432932,0.195982923,0.273277186,0.371808562,0.511793082,0.42483656,0.228891664,3.637021063,3.287375673,2.841662889,2.20843424,2.601787454,3.488156333,0.19880132,0.27720714,0.377155479,0.519153093,0.430946064,0.232183316,6.634953582,10.83069827,13.60008547,14.23826915,9.518030588,1.043507705,27.76507516,22.54607319,19.16553126,20.93436246,18.57424318,7.801485814,7,1.851851852,2.666666667,7,0,4,2.23,1.0949,3.920263408,0,3.298769777,3.789291416,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.131,0.009,0.004,2.627,9,6,0,0,0,0,0,0,0,28,1.945910149,2.302585093,1.945910149,0,0,0,0,0,0,0,3.36729583,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,6,1,0,2,3,0.5,3.5,1.333333333,0,0,0,0,0,0,0,0,0.583333333,0.148148148,0,0,0,0,0,0,0,0,0.731481481,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,0,129.6283511,3.807354922,3.433987204,4.110873864,4.934473933,5.666426688,6.475432717,7.221835825,8.026496939,8.776630098,9.580040124,71.22619739,2.564949357,0,3.891820298,0,5.379897354,0,6.91671502,0,8.466531277,8.706821323,100.1252005,4.353269587,12.29305504,1.75615072,0,0,0,42,6,4.238,30,1.224818182,2.109270524,2.951680438,3.454650488,3.913077987,0,0,0,0,0,69.72220731,88.72455476,79.7464231,21.19017043,3.975937672,0,0,0,0,0,268.787596,351.9329754,424.3186102,240.7331816,121.6331161,0,0,0,0,0,8.893455721,14.97766252,21.04161946,23.84625228,26.28987359,0,0,0,0,0,2.059771149,2.80470988,3.687583662,2.602315071,1.739804971,0,0,0,0,0,176.6115071,329.7128201,452.0018764,588.1417883,723.5971936,0,0,0,0,0,2.588977273,3.627320952,5.748036126,5.048734536,3.913077987,0,0,0,0,0,0.427911136,0.588223049,0.782919996,0.573102175,0.400699186,0,0,0,0,0,342.4271852,130.4788689,8.116067026,101.5476956,-38.69385678,-5.796802571,240.8794896,169.1727257,13.9128696,0.771276034,0.293887953,0.018280464,0.228723966,-0.087153257,-0.0130566,152.0290687,57.92934027,3.60332989,45.08462602,-17.17910045,-2.57363473,0.078876995,0.163203804,1.326139724,7.088037123,443.9748807,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,669.3452909,25.87170831,8.747488981,1.095700112,1.095700112,263.0597656,215.3646754,165.3093865,1.221461993,1.591317778,1.30279762,3.637217467,3.220218461,5.261260744,0.633821061,4.462408855,5.691187896,2.838021923,31.37300548,4.13368779,4.853544508,10.19774657,13.31665696,4.946205101,0.01337715,7.94E-24,9.09E-67,2.01E-131,8.55E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851902,0.150027288,10.09099914,2.016656515,0.105484909,0.688668416,0.642338515,0.034836527,9.42E-05,5.59E-26,6.40E-69,1.41E-133,6.03E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690874984,0.54238975,13.2833959,2.184108306,0.539358425,2.134850283,2.386693723,0.36302347,9.82E-04,5.83E-25,6.67E-68,1.47E-132,6.28E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.69115123,2.618165909,29.66269788,3.91044984,4.373497933,9.440555381,12.24260957,4.406979696,0.0119188,7.08E-24,8.10E-67,1.79E-131,7.62E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690904339,0.858147305,15.81684405,2.377647511,0.996142624,3.274532199,3.834366846,0.788535486,0.002132616,1.27E-24,1.45E-67,3.20E-132,1.36E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691341932,3.714837547,38.16812044,5.06655274,6.845960596,13.20004339,17.63188057,7.213575288,0.019509317,1.16E-23,1.33E-66,2.93E-131,1.25E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.704336019,4.256075768,1.054784201,19.64477258,3.169610386,1.788023979,5.263983409,6.329010249,1.530653182,0.004139694,2.46E-24,2.81E-67,6.21E-132,2.65E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.145920909,1.661374042,1.067828051,0.440177798,0.340786077,0.583636037,0.606390022,0.455537188,4.875123002,7.63071364,16.31283296,0.171445813,1.645563248,1.563560077,1.063578484,0.588266478,0.486271576,0.330775896,0.313998379,0.248517108,0.141443713,3.215405039,3.208426404,7.402100274,0.229407365,0.7039592,1.804564262,1.311184862,0.787109591,0.462369866,0.33595499,0.415745816,0.377698325,0.250783718,3.902858715,4.818553362,10.58380573,0.197487285,1.044227859,2.13244559,1.647560472,1.056764982,0.440882062,0.340632305,0.576481191,0.596348228,0.446372078,4.836771044,7.507911101,16.0574495,0.172271551,1.619201497,1.907750409,1.417101191,0.872072922,0.454559142,0.337652294,0.463561223,0.441183165,0.306602276,4.196924522,5.602988427,12.15754062,0.188317153,1.211346664,2.187820796,1.704320559,1.102218241,0.438058324,0.341249068,0.606159754,0.638145589,0.484594954,4.994359596,8.01873716,17.12299078,0.168961089,1.728900296,2.136550383,1.651655338,1.058166822,0.440855581,0.340802388,0.578519861,0.599316254,0.447286699,4.846372543,7.537398453,16.11787753,0.172486954,1.625122814 +UMLS0084,L,"2,2,3-Trimethylbutane",CC(C)C(C)(C)C,10044,Sandia values were badly (error with coding) averaged but we have values from source [9] as well so maybe just use these; opting for source [9],"Sandia, UML",[9],C7H16,PubChem,,10.8,0,1.2808,1.64044864,42.3047,29.602274,0,0,28,10,18,0,10,0,0,0,0,0,0,0,0,0,1460.930362,1804.832915,2683.631344,2545.473349,1394.579933,364.571424,33.530112,0,0,4794.676417,6723.945014,10591.37385,12198.83692,9420.489571,4506.255503,1025.763566,0,0,196.337512,211.063052,414.798784,589.87426,696.713396,514.263168,221.709312,0,0,35.89203229,50.72169758,83.36408416,103.5008992,90.96715903,50.7381844,14.67222586,0,0,4596.461297,4150.943776,8841.397953,12875.62664,16547.8033,13042.15119,6102.282517,0,0,43.64583333,54.02777778,91.11111111,131.8194444,141.75,96,33,0,0,52.17608436,62.23561776,46.26950593,30.6683536,13.94579933,4.86095232,1.016064,0,0,171.2384435,231.8601729,182.609894,146.9739388,94.20489571,60.0834067,31.08374443,0,0,7.012054,7.278036276,7.151703172,7.106918795,6.96713396,6.85684224,6.718464,0,0,1.281858296,1.749024054,1.437311796,1.246998786,0.90967159,0.676509125,0.444612905,0,0,164.159332,143.1359923,152.4378957,155.1280318,165.478033,173.8953492,184.917652,0,0,1.558779762,1.86302682,1.570881226,1.588186078,1.4175,1.28,1,0,0,0.034845978,-0.005205208,0.006758152,-0.018323082,-0.017850773,-0.002342205,0.019540127,0,0,778.2814864,50.03238127,151.950195,-603.4769938,-531.2079987,33.97260457,509.5890685,0,0,1447.247658,93.03734943,282.5578761,-1122.191239,-987.8039569,63.17350887,947.6026331,0,0,0.15246,0.009801,0.029766,-0.118217,-0.10406,0.006655,0.099825,0,0,6.469870403,0.41592024,1.263165174,-5.016716971,-4.415943291,0.282414978,4.236224668,0,0,35.14443871,2.259285346,6.861533272,-27.25088621,-23.98747404,1.534082642,23.01123963,0,0,2.965029762,-1.47246138,1.103936366,-1.017369969,-0.338647959,-1.149633291,1.391661352,0,0,0.001244499,-1.79E-04,1.17E-04,-2.21E-04,-1.79E-04,-3.12E-05,5.92E-04,0,0,27.79576737,1.725254527,2.619830948,-7.270807155,-5.312079987,0.452968061,15.44209298,0,0,51.68741635,3.208184463,4.871687518,-13.52037638,-9.878039569,0.842313452,28.71523131,0,0,0.005445,3.38E-04,5.13E-04,-0.001424301,-0.0010406,8.87E-05,0.003025,0,0,0.2310668,0.014342077,0.02177871,-0.060442373,-0.044159433,0.003765533,0.128370444,0,0,1.255158525,0.077906391,0.118302298,-0.32832393,-0.23987474,0.020454435,0.697310292,0,0,0.10589392,-0.05077453,0.019033386,-0.01225747,-0.00338648,-0.015328444,0.042171556,0,0,-0.144226641,0.093627917,-0.17738864,-0.143437397,-0.025093952,0.475793837,0,0,0.062068966,0.094252874,-0.261579652,-0.191111111,0.016296296,0.555555556,0,0,0.062068966,0.094252874,-0.261579652,-0.191111111,0.016296296,0.555555556,0,0,0.062068966,0.094252874,-0.261579652,-0.191111111,0.016296296,0.555555556,0,0,0.062068966,0.094252874,-0.261579652,-0.191111111,0.016296296,0.555555556,0,0,0.062068966,0.094252874,-0.261579652,-0.191111111,0.016296296,0.555555556,0,0,-0.47948485,0.179740117,-0.115752344,-0.031979925,-0.144752823,0.398243413,0,0,1.517013366,0.923657217,1.269896879,1.103862377,0.860441528,0.003445469,0,0,1.303448276,1.086206897,1.36626506,1.092,0.728,0,0,0,1.303448276,1.086206897,1.36626506,1.092,0.728,0,0,0,1.303448276,1.086206897,1.36626506,1.092,0.728,0,0,0,1.303448276,1.086206897,1.36626506,1.092,0.728,0,0,0,1.303448276,1.086206897,1.36626506,1.092,0.728,0,0,0,1.96689309,0.601297971,1.200362806,1.007051443,1.143327478,0,0,0,42.91636531,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,-1.07E-14,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,42.91636531,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,-1.07E-14,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,42.91636531,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,-1.07E-14,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,42.91636531,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,-1.07E-14,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,42.91636531,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,-1.07E-14,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,42.91636531,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,-1.07E-14,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,52.72150894,25.65731701,36.25203536,52.53175894,5.253175894,25.65731701,-0.31625,0.023459735,0.002345973,-3.752469737,115.1035612,11.51035612,4.745832255,0,11.89,12.11015511,-0.155175387,0.067055821,6.396554148,9.725762946,11,29,29,29,11,0,0,0,0,0,19.677726,3.877852129,3.141473347,2.809343081,2.607986348,2.333552793,2.090350762,1.472303479,1.192235244,2.131269708,1.638904328,1.429675359,1.288705716,1.249629723,0.948103196,0.60237069,0.444993627,3.894013269,3.173833049,2.850132729,2.655884336,2.405454588,2.154972153,1.560801638,1.294481877,2.091941219,1.565065938,1.340101534,1.195114274,1.134540686,0.83649063,0.463147758,0.295679407,3.966353414,3.319119613,3.033883139,2.865101297,2.704236987,2.428760712,1.932525422,1.715561448,1.981087775,1.348572937,1.071039608,0.906225724,0.76031856,0.481029845,0.002351494,0.206850741,3.905980595,3.197855696,2.880481777,2.691164893,2.457539916,2.202105413,1.625285409,1.368525297,2.0673541,1.518028111,1.282403702,1.134262009,1.058262671,0.763105901,0.37016533,0.195402502,4.00249394,3.391154406,3.124586202,2.964886945,2.838982085,2.554791317,2.100058383,1.90100136,1.947803106,1.281918617,0.986856831,0.812519708,0.631337262,0.361219123,0.158354443,0.386105846,3.861539028,3.288758461,2.980497503,2.759036659,2.713284429,2.291313705,1.718121473,1.472022545,2.101962664,1.419085373,1.166523996,1.019042412,0.808522524,0.633731788,0.231313786,0.047145469,0,0,0,0,0,3,3,3,1,0,0.11785113,0.387076975,0.759946456,1.178528219,0,0.11785113,0.387076975,0.759946456,1.178528219,1.40857456,0.166666667,0.648271461,0.151374715,1.40857456,0.166666667,0.648271461,0.151374715,3.260153798,4.31544863,4.893089478,3.260153798,4.31544863,4.893089478,7.353371151,4.621027034,4.915120116,4.203665235,3.059150443,2.048616017,1.145707649,0.340206909,0.735337115,0.420093367,0.273062229,0.168146609,0.109255373,0.068287201,0.05207762,0.034020691,7.353371151,4.621027034,4.915120116,4.203665235,3.059150443,2.048616017,1.145707649,0.340206909,0.735337115,0.420093367,0.273062229,0.168146609,0.109255373,0.068287201,0.05207762,0.034020691,14.87645023,26.99053168,25.52941176,25.84,17.18699042,213.9969904,0.531301794,0.96394756,0.911764706,0.922857143,0.613821086,7.642749658,3.0786,43.776,47.52016661,65.02412399,95.04033322,9.504033322,47.52016661,0.004736954,4.74E-04,-5.352360875,61.98482058,6.198482058,4.126889526,74,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,3,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,7.351967593,0,4.539282407,0,0,0,3.152731481,0,0,0,0,0,0.706018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.432337963,0,1.498773148,0,0,0,1.013888889,0,0,0,0,0,0.706018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.459814815,0,1.53587963,0,0,0,1.0775,0,0,0,0,0,0.706018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.75,1.575,0.2,2.459814815,0,0.706018519,6.876869537,0.543981481,0.459814815,2.784953704,0.543981481,0.459814815,2.784953704,5,0.5,0,0,0.44286,0.7,0.44286,0.44286,0.7,0,0,0,0,0.71429,0,0,0.3,0.3,0.1,5.5,0.55,5.5,0.55,0,0,-5.5,-0.55,0,0,12.14436,1.21444,12.14436,0,0,4.62101,0.4621,4.62101,0,0,0.29299,0.0293,0.37899,0.0379,0.25,31,0,0,0,0,0,0,1,0.940285959,1.617236617,2.921855368,3.556656707,3.56610894,3.726474118,26.32800684,45.28262529,81.8119503,99.58638781,99.85105032,104.3412753,0.195593205,0.336408824,0.607788569,0.739836514,0.741802716,0.775161014,3.867068963,3.190118305,1.885499554,1.250698215,1.241245982,1.080880804,0.193554886,0.332903035,0.601454672,0.732126517,0.734072229,0.767082893,6.779097864,14.90250577,20.24701057,20.59042727,21.6814608,21.05792549,39.20654966,27.04996415,21.33776057,19.98196142,18.27438233,18.74770701,6.694214876,1.777777778,0.7168,0,0,0,2.56,1.3004,0.944940787,2.94389819,4.112265279,2.080083823,1.650963624,5.853800636,1.310370697,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0.003,0.162,0.171,0.231,0.39,4.38,18,25,28,30,22,10,2,0,0,156,2.48490665,2.944438979,3.258096538,3.36729583,3.433987204,3.135494216,2.397895273,1.098612289,0,0,5.056245805,1,0.25,1,0,1,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,3,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.272727273,1,3,4,0.333333333,3.5,2.222222222,1.75,0.444444444,0,0,0,0,0,0,0.318181818,0.138888889,0.134615385,0.088888889,0,0,0,0,0,0,0.680574981,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,0,156.8033876,4.321928095,4.077537444,4.976733742,5.92157842,6.844815479,7.791109511,8.718500048,9.665293813,10.593555,11.5405309,91.12965436,3.135494216,0,4.634728988,0,6.385194399,0,8.219056661,0,10.08008442,10.25058175,138.1408506,4.933601806,19.92298566,1.992298566,0,0,0,102,13,5.143,58,1.260842657,2.167003007,2.955146456,3.574897206,4.212033248,5.186224903,0,0,0,0,90.59663351,110.4976145,95.29626222,54.69649831,22.31472655,5.26953642,0,0,0,0,320.6742364,423.6950824,448.4549007,351.764085,266.9530746,161.2072895,0,0,0,0,9.215264295,15.55615877,21.03721071,24.945452,28.94747784,34.84346531,0,0,0,0,2.358982158,3.281636586,3.773703597,3.347022889,2.960468694,2.30586252,0,0,0,0,178.0559739,326.2078364,455.8455877,588.7173757,727.1775171,959.024532,0,0,0,0,2.382355539,3.51573154,4.769943067,5.164893552,5.548859049,5.186224903,0,0,0,0,0.486432098,0.683942693,0.797675148,0.722958774,0.655062536,0.53106943,0,0,0,0,357.934741,166.0352231,9.157119668,94.09436517,-43.64756233,-4.820295954,263.8403758,209.6827855,13.97741562,0.79184003,0.367310912,0.02025781,0.20815997,-0.096559186,-0.010663685,161.796921,75.0527535,4.139284618,42.53339178,-19.72996858,-2.178914071,0.066548185,0.133972909,0.942196585,1.360885345,452.0291062,0,1,0,703.4706294,26.52302074,8.89369005,877.8372789,29.62831887,9.574982892,1348.404062,36.72062176,11.0477376,1.376517016,1.141905171,442.346099,408.5283359,238.959022,1.08277948,1.851137887,1.709616705,3.994938874,3.701688834,6.581109411,0.777866727,5.048512244,9.218822216,8.467001606,27.94238282,15.336863,16.22938238,16.7966155,18.03409271,7.014014333,4.574372155,2.878290981,0.785227345,2.40E-08,2.14E-37,3.68E-88,1.22E-160,7.81E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421510783,8.913529534,1.917929567,9.554882134,1.690753089,0.994909456,2.192824417,1.404537911,0.818123693,0.093121963,0.02262889,0.00553042,1.69E-10,1.51E-39,2.59E-90,8.60E-163,5.50E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,1.362121909,8.933930478,3.037670306,12.33891175,3.402447491,3.20320695,4.169446444,3.455663246,1.50341876,0.492207908,0.217305479,0.057631245,1.76E-09,1.57E-38,2.70E-89,8.96E-162,5.74E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,4.763885515,9.185303995,7.989281884,26.47382421,14.12159454,14.97785934,15.54728564,16.54082069,6.429727345,4.117619441,2.566128276,0.699623428,2.13E-08,1.90E-37,3.28E-88,1.09E-160,6.96E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,2.008967632,8.960380755,3.87078816,14.53785158,4.896295851,4.986773286,5.82453981,5.262556395,2.145893628,0.919269937,0.466216871,0.125182764,3.82E-09,3.41E-38,5.86E-89,1.95E-161,1.25E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,6.103906784,9.359761663,10.32297224,33.76911905,20.26776147,21.22527262,21.82573384,24.10258641,9.410104321,6.472639025,4.190029495,1.145180286,3.49E-08,3.12E-37,5.36E-88,1.78E-160,1.14E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,3.496787887,7.728828666,4.929302276,18.73341482,7.752540201,8.413323313,10.14178666,9.454697381,4.340116005,2.163394832,1.172667055,0.316544155,9.66E-09,8.62E-38,1.48E-88,4.92E-161,3.15E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,3.103301526,1.539755243,1.347967338,0.517991828,0.257010357,0.466128244,0.426179363,0.429449363,5.991024108,11.03701367,23.46906353,0.276987741,1.32175697,2.215040748,0.988503566,0.744340074,0.561070318,0.250388175,0.237042895,0.181884788,0.133041431,3.947884389,4.574102092,10.1517754,0.341605476,0.551969114,2.55622559,1.199622052,0.976992453,0.540103941,0.253467691,0.315924411,0.263975579,0.227786573,4.732840095,6.735939388,14.46473132,0.310155912,0.807686562,3.080103368,1.525279105,1.332299129,0.518738386,0.256881256,0.459165346,0.418488535,0.419664211,5.937681602,10.83376437,23.03061034,0.278107578,1.297318091,2.713119531,1.296929444,1.083672573,0.532639938,0.254613338,0.356011266,0.306553974,0.27941531,5.093721548,7.864304695,16.77117159,0.298959907,0.94198055,3.176348793,1.585375208,1.397262321,0.515725905,0.257408464,0.488396881,0.450909959,0.46098599,6.158986322,11.68908216,24.88426881,0.273588857,1.40029283,3.098522183,1.52840047,1.337695872,0.519483714,0.256244463,0.464705686,0.420013351,0.423096793,5.964618525,10.92519809,23.22485367,0.279225571,1.307815831 +UMLS0085,L,"4,6,6-trimethylbicyclo[3.1.1]heptane",CC1CCC2CC1C2(C)C,10129,Sandia and co-optima database values from Sinor report could not varify this so I think we should use UML values,"Sandia, UML",[1],C10H18,PubChem,,11.8,0,3.189,10.169721,48.0838,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2225.60387,2383.926398,1452.821334,498.674905,97.028064,9.144576,0,4670.34144,5841.481647,8138.02742,9402.41886,8234.961463,4618.93496,1434.429565,279.7536999,0,169.463656,175.052008,300.070904,325.814648,427.200216,454.619044,203.948928,60.466176,0,34.11358067,43.47862034,62.19666382,72.8955422,72.85120431,49.08095535,17.35197558,4.001516144,0,3856.790689,3411.659229,6444.093573,6553.715069,9220.154339,11319.76903,5356.758935,1664.258868,0,49.11111111,60.33333333,86.22222222,104.4444444,120,93,36,9,0,60.70275442,67.17251842,52.99056833,52.97614218,24.2136889,7.555680379,3.2342688,1.016064,0,194.59756,243.3950686,193.7625576,208.9426413,137.2493577,69.98386303,47.81431882,31.08374443,0,7.060985667,7.293833667,7.144545333,7.240325511,7.1200036,6.888167333,6.7982976,6.718464,0,1.421399194,1.811609181,1.480872948,1.619900938,1.214186738,0.743650839,0.578399186,0.444612905,0,160.6996121,142.1524679,153.4307994,145.6381126,153.669239,171.5116519,178.5586312,184.917652,0,2.046296296,2.513888889,2.052910053,2.320987654,2,1.409090909,1.2,1,0,0.038346943,0.001951,0.01105773,-0.016371542,-0.047873149,0.007484154,0.017641948,0.006936387,0,706.2183858,-7.82E-14,358.15361,-285.0095629,-1039.149911,95.84392379,327.8871077,189.1656391,0,1313.243245,1.28E-13,666.0019314,-529.9874525,-1932.343632,178.225869,609.7200781,351.7615835,0,0.138343333,2.23E-15,0.070159833,-0.055831417,-0.203562333,0.018775167,0.064230833,0.03705625,0,5.870808328,1.39E-14,2.977338509,-2.369290504,-8.638475112,0.796752559,2.725732438,1.572537945,0,31.89032402,-1.07E-13,16.17295004,-12.87002362,-46.92433391,4.327972545,14.80622186,8.542051076,0,4.648148148,-1.37037037,2.513888889,-0.020833333,-6.583333333,0.217592593,1.74537037,1.173611111,0,0.001597789,8.13E-05,2.63E-04,-3.64E-04,-7.98E-04,1.13E-04,5.88E-04,7.71E-04,0,29.42576608,-3.26E-15,8.527466904,-6.333545841,-17.31916518,1.452180664,10.92957026,21.01840434,0,54.71846854,5.33E-15,15.85718884,-11.77749894,-32.2057272,2.700391954,20.3240026,39.08462039,0,0.005764306,9.28E-17,0.001670472,-0.001240698,-0.003392706,2.84E-04,0.002141028,0.004117361,0,0.244617014,5.81E-16,0.070889012,-0.0526509,-0.143974585,0.012072008,0.090857748,0.174726438,0,1.328763501,-4.44E-15,0.385070239,-0.286000525,-0.782072232,0.065575342,0.493540729,0.949116786,0,0.19367284,-0.057098765,0.059854497,-4.63E-04,-0.109722222,0.003296857,0.058179012,0.130401235,0,0.050877596,0.164777229,-0.227697139,-0.499368616,0.070970735,0.368049111,0.482360052,0,-1.11E-16,0.289795918,-0.215238095,-0.588571429,0.049350649,0.371428571,0.714285714,0,9.74E-17,0.289795918,-0.215238095,-0.588571429,0.049350649,0.371428571,0.714285714,0,1.61E-14,0.289795918,-0.215238095,-0.588571429,0.049350649,0.371428571,0.714285714,0,2.37E-15,0.289795918,-0.215238095,-0.588571429,0.049350649,0.371428571,0.714285714,0,-3.34E-15,0.289795918,-0.215238095,-0.588571429,0.049350649,0.371428571,0.714285714,0,-0.294820717,0.309049516,-0.002390438,-0.566533865,0.017022818,0.300398406,0.673306773,0,1.042489875,0.853117715,1.398634313,1.53212258,0.75820756,0.341390039,0,0,1.15,0.751020408,1.314285714,1.577142857,0.776623377,0.394285714,0,0,1.15,0.751020408,1.314285714,1.577142857,0.776623377,0.394285714,0,0,1.15,0.751020408,1.314285714,1.577142857,0.776623377,0.394285714,0,0,1.15,0.751020408,1.314285714,1.577142857,0.776623377,0.394285714,0,0,1.15,0.751020408,1.314285714,1.577142857,0.776623377,0.394285714,0,0,1.511952191,0.549800797,1.014077025,1.667729084,0.849692141,0.494820717,0,0,35.33244653,17.66622327,23.70303142,35.33244653,3.533244653,17.66622336,-2.49E-14,3.61E-16,3.61E-17,-35.55814557,44.91843988,4.491843988,3.804848398,35.33244653,17.66622327,23.70303142,35.33244653,3.533244653,17.66622336,-2.49E-14,3.61E-16,3.61E-17,-35.55814557,44.91843988,4.491843988,3.804848398,35.33244653,17.66622327,23.70303142,35.33244653,3.533244653,17.66622336,-2.49E-14,3.61E-16,3.61E-17,-35.55814557,44.91843988,4.491843988,3.804848398,35.33244653,17.66622327,23.70303142,35.33244653,3.533244653,17.66622336,-2.49E-14,3.61E-16,3.61E-17,-35.55814557,44.91843988,4.491843988,3.804848398,35.33244653,17.66622327,23.70303142,35.33244653,3.533244653,17.66622336,-2.49E-14,3.61E-16,3.61E-17,-35.55814557,44.91843988,4.491843988,3.804848398,35.33244653,17.66622327,23.70303142,35.33244653,3.533244653,17.66622336,-2.49E-14,3.61E-16,3.61E-17,-35.55814557,44.91843988,4.491843988,3.804848398,39.97889398,19.7763426,26.92250745,39.94149166,3.994149166,19.77634261,-0.08,0.001201837,1.20E-04,-6.723904361,46.22418591,4.622418591,3.833503166,0,11.85,12.1501118,-0.208324148,0.091801547,6.31734375,9.073764748,10,24,21,18,4,3,0,0,0,6,15.304898,3.86608836,3.074108768,2.930341262,2.526189969,2.414345328,1.752003504,1.727886093,0.642274226,2.026218595,1.543722231,1.457339391,1.342058293,1.191515532,0.529337856,0.493106069,0.083923071,3.874881016,3.100516907,2.960308976,2.58738709,2.473602253,1.816107662,1.789198531,0.75812932,1.997853511,1.467781577,1.373278009,1.235749843,1.092367894,0.418650007,0.40848047,0.259512969,3.916338787,3.227667877,3.104192224,2.847252568,2.724040832,2.071891253,2.041320332,1.215779999,1.925239687,1.254997295,1.135020999,0.896989736,0.771663849,0.117830704,0.088644508,0.705413466,3.881496846,3.12059166,2.983069863,2.632047319,2.516796779,1.861974594,1.833409531,0.841353756,1.98083883,1.420105698,1.320218527,1.165802121,1.02672174,0.351281176,0.348173596,0.338064813,3.938468372,3.29530796,3.180415135,2.967233885,2.838709674,2.181157343,2.155493005,1.400331531,1.905361359,1.193850758,1.06599297,0.78304047,0.662390182,0.011177143,0.020019443,0.890545473,3.856848636,3.137099096,3.030759072,2.718776455,2.610219652,1.892529733,1.877120783,0.913836778,1.996651788,1.372262947,1.246089781,1.065150334,0.923017701,0.323420728,0.288749583,0.392438371,0,0,0,2,4,4,0,0,0,0,0,0,0.055555556,0.222222222,0,0,0,0.020833333,0.083333333,0.8563047,0,0.383276638,0,0.538675135,0,0.206837567,0,2.341091489,2.755763801,3.510558351,1.369016936,1.421848152,1.577350269,7.723614639,4.625897658,4.25015155,3.701831787,2.087989615,1.345596221,0.636894534,0.166666667,0.772361464,0.462589766,0.303582254,0.217754811,0.130499351,0.084099764,0.063689453,0.055555556,7.154700538,3.660683603,2.949358737,2.328846035,1.091506351,0.593002117,0.25,0.0625,0.715470054,0.36606836,0.210668481,0.136990943,0.068219147,0.037062632,0.025,0.020833333,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,1.79868,41.002,42.11558273,54.12612461,84.23116546,8.423116546,42.11558273,4.44E-16,4.44E-17,-35.35050621,55.74143817,5.574143817,4.020723823,76,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,2,0,0,0,0,0,0,0,0,4,0,0,0,0,2,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.00111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.761944444,0,0,0,0,0.761944444,0,0,0,0,0,0,0,0,8.665555556,0,0,0,0,4.356481481,0,0,0,0,5.64462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.391759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0,0,0,0.380972222,0,0,0,0,0,0,0,0,2.154537037,0,0,0,0,2.178240741,0,0,0,0,1.391759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.178240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0,0,0,0.380972222,0,0,0,0,0,0,0,0,2.178240741,0,0,0,0,2.178240741,0,0,0,0,1.430555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.66666667,1.866666667,0.380972222,2.178240741,0.116319444,1.391759259,6.175033889,0.274907407,0.178240741,2.044074074,0.274907407,0.178240741,2.044074074,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.4,0.4,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.70126,0.77013,12.65295,4.95169,0.49517,2.41574,0.24157,4.62587,2.21014,0.22101,0.28813,0.02881,0.37413,0.03741,0.25,10,0,0,0,0,0,0,0.4,0.979868757,1.959147917,2.125814584,2.29248125,2.79248125,2.79248125,23.51685016,47.01955001,51.01955001,55.01955001,67.01955001,67.01955001,0.213713581,0.427298569,0.463649285,0.5,0.609052146,0.609052146,3.605093744,2.625814584,2.459147917,2.29248125,1.79248125,1.79248125,0.206076118,0.412028238,0.44707989,0.482131543,0.587286502,0.587286502,6.772325919,14.7298096,16.7298096,18.7298096,19.23372211,19.23372211,37.92632204,30.86215626,27.69223126,24.52230625,24.52230625,24.52230625,8.1,2.93877551,1.55017301,0,6,0,2.56,1.28,1.668817935,2.746356192,7.883079778,0,1,4.298279727,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.088,0.481,0.688,4.848,14,17,16,16,10,3,0,0,0,96,2.63905733,3.277144733,3.778491613,4.141148628,4.541298109,4.274928499,3.168897455,0,0,0,5.830690418,3.537434896,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.4,0,3,5,0.666666667,2.5,2,0.875,0.524444444,0,0,0,0,0,0,0.25,0.142857143,0.0625,0.087407407,0,0,0,0,0,0,0.54276455,22.38592246,30.81456194,44.77184491,4.477184491,22.38592246,5.00E-16,5.00E-17,-35.23272317,42.18307695,4.218307695,3.742019121,0,150.3504702,4.321928095,3.891820298,4.709530201,5.549076085,6.385194399,7.22620901,8.065579427,8.90666441,9.74689222,10.58782101,85.06878706,3.044522438,0,4.343805422,0,5.860786223,0,7.471363088,0,9.122710622,9.338997404,134.1095504,5.587897935,19.22532837,1.922532837,0,0,0,109,14,3.65,48,1.234762656,2.136286397,3.076576182,3.799060094,4.377213257,5.802564583,6.552566751,0,0,0,92.46115255,126.2257952,172.6171713,101.2701606,38.70682904,19.47390442,6.657827183,0,0,0,322.7760344,449.4313647,666.1560596,547.5869914,335.2723585,282.7770203,203.6783102,0,0,0,9.03661301,15.33641161,22.3114192,27.10726185,30.26836288,39.47300057,44.02318382,0,0,0,2.357580245,3.375067083,5.113386499,4.771451803,3.47088135,3.398830828,2.913355737,0,0,0,173.6281861,322.578945,445.7260584,579.6521705,741.5378524,1034.07163,1211.685258,0,0,0,3.194995143,4.601016549,7.29049443,7.770231032,6.472098507,7.026809291,6.552566751,0,0,0,0.485493369,0.699861528,1.062734701,1.013251001,0.759959437,0.762638685,0.670982835,0,0,0,300.4174155,137.3697178,9.88395895,99.40918726,-45.45612636,-4.536823692,201.0082282,182.8258441,14.42078264,0.751369252,0.343573231,0.024720614,0.248630748,-0.1136896,-0.011346978,120.1148746,54.92406758,3.951869729,39.74643763,-18.17456858,-1.813942804,0.135669539,0.127550598,3.232387278,1.676721019,399.8266028,0,1,0,733.4098266,27.08154033,9.018110965,869.4529563,29.48648769,9.544401409,1326.978677,36.42771853,10.9889108,1.401189173,1.380747812,623.5093488,394.2647408,242.7310989,1.581448413,2.568724616,1.624286062,4.27907042,4.288153178,6.664765497,0.554227478,4.068044056,5.849592127,7.414163714,11.84599185,2.170232746,4.161435662,9.574914906,8.790058298,3.775262925,8.284653087,2.451060082,2.574079702,2.73E-05,7.61E-31,4.94E-78,6.44E-147,1.67E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,0.341512356,4.876977926,0.306571399,7.255657378,0.886922934,0.56293831,0.915481107,0.55199714,1.389157888,0.317688322,0.129364959,0.018130078,1.93E-07,5.36E-33,3.48E-80,4.54E-149,1.17E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,1.102176923,4.94197035,1.196998069,8.043898828,1.010293532,1.247607553,2.679816282,1.9035328,1.860022487,1.20507882,0.467855704,0.18892449,2.01E-06,5.58E-32,3.62E-79,4.73E-148,1.22E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,3.839908455,5.742807755,6.78079655,11.51235427,2.042644322,3.92349914,9.043644413,8.168977034,3.62345969,7.535545206,2.261021618,2.293459101,2.44E-05,6.78E-31,4.40E-78,5.74E-147,1.48E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,1.624349301,5.026236067,1.974637806,8.629166949,1.136130938,1.732416223,3.891939054,2.92931188,2.188063511,2.033620535,0.740427018,0.410367701,4.36E-06,1.21E-31,7.87E-79,1.03E-147,2.65E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.912727499,6.298605917,9.984330066,13.14104833,2.698299593,5.062435376,11.54327179,11.222207,4.343825232,11.35503522,3.209080587,3.754051294,3.99E-05,1.11E-30,7.20E-78,9.39E-147,2.43E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,2.335014304,4.887965987,2.818577711,9.129813534,1.417910996,2.354250379,5.268687104,4.208225859,2.810436307,3.224387025,1.121813862,0.738736937,7.85E-06,2.18E-31,1.42E-78,1.85E-147,4.78E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.459063589,2.718822548,0.278742959,0.597999918,0.364618182,0.561871519,0.55573595,0.333324277,7.456629096,14.12418785,24.96013006,0.443927151,1.450931747,2.889561782,1.792668771,0.050248333,0.610581019,0.378801219,0.235943286,0.241412812,0.010831774,4.732478887,5.41530145,10.40806807,0.484073357,0.488187872,3.446984207,2.121650915,0.131404843,0.604729831,0.372216849,0.335750902,0.338285382,0.07407647,5.700039964,8.045042817,14.70608545,0.465420021,0.748112754,4.412808745,2.691532688,0.27200943,0.598237371,0.364886749,0.550274264,0.54462877,0.317414672,7.376350863,13.80966685,24.41673328,0.44468618,1.412317707,3.721287779,2.283515969,0.171339114,0.602526182,0.369731727,0.391315245,0.391925144,0.125942143,6.176142861,9.526477821,17.15859538,0.458386864,0.909182532,4.606824878,2.805998915,0.300253133,0.597274593,0.363797605,0.599729423,0.591968136,0.386753641,7.713076926,15.15246917,26.74684196,0.441608297,1.578451199,4.41663043,2.695280839,0.271766615,0.598161309,0.365032289,0.551227584,0.546144957,0.316848222,7.383677884,13.83683943,24.45564323,0.444790397,1.414220762 +UMLS0086,L,"1,2,3,4-tetramethylbenzene",CC1=C(C(=C(C=C1)C)C)C,10263,Sandia values from independent api report ,Sandia,,C10H14,PubChem,,0.5,0,-0.4538,0.20593444,32.1476,26.508688,0,0,25,9,16,0,9,0,0,0,0,0,0,0,0,0,1314.634113,1636.354618,2294.187013,1860.554817,1025.27578,226.227456,16.257024,0,0,4308.992027,6070.954879,9624.35089,9761.491825,6714.127363,2830.465684,497.3399109,0,0,175.360068,189.287272,387.055444,575.875908,514.026256,328.87296,107.495424,0,0,32.21390648,45.70570896,77.22849687,86.98982388,65.02217111,32.04432192,7.113806478,0,0,4099.831637,3717.904324,8148.916816,13241.15321,12370.37952,8367.325628,2958.682432,0,0,35.30555556,44.69444444,83.58333333,112.0833333,95.33333333,56,16,0,0,52.58536452,62.93671608,42.48494469,22.68969289,13.85507811,4.713072,1.016064,0,0,172.3596811,233.4982646,178.2287202,119.0425832,90.73145085,58.96803508,31.08374443,0,0,7.01440272,7.280279692,7.167693407,7.022876927,6.946300757,6.85152,6.718464,0,0,1.288556259,1.757911883,1.43015735,1.060851511,0.878677988,0.66759004,0.444612905,0,0,163.9932655,142.9963202,150.905867,161.4774782,167.1672908,174.3192839,184.917652,0,0,1.412222222,1.719017094,1.547839506,1.366869919,1.288288288,1.166666667,1,0,0,0.032689768,9.45E-04,-0.010540219,-0.011916387,-0.007080945,0.001037499,0.011209674,0,0,697.3402118,49.58863729,-193.89932,-326.006549,-185.1825674,55.78721695,251.0424763,0,0,1296.733901,92.21218854,-360.5640654,-606.2230989,-344.3548916,103.7387121,466.8242045,0,0,0.13660416,0.009714074,-0.037983546,-0.063862445,-0.036275994,0.010928333,0.049177498,0,0,5.797003881,0.412231387,-1.611889135,-2.710099314,-1.539426586,0.46376031,2.086921397,0,0,31.48941709,2.239247437,-8.755807362,-14.72130249,-8.362189648,2.519153367,11.33619015,0,0,1.277777778,-0.027777778,-0.416666667,-0.305555556,-0.333333333,-2.13E-15,0.444444444,0,0,0.001307591,3.64E-05,-1.95E-04,-1.45E-04,-9.57E-05,2.16E-05,7.01E-04,0,0,27.89360847,1.90725528,-3.590728148,-3.975689622,-2.502467127,1.162233686,15.69015477,0,0,51.86935606,3.546622636,-6.677112322,-7.392964621,-4.653444481,2.161223169,29.17651278,0,0,0.005464166,3.74E-04,-7.03E-04,-7.79E-04,-4.90E-04,2.28E-04,0.003073594,0,0,0.231880155,0.015855053,-0.029849799,-0.033049992,-0.020803062,0.009661673,0.130432587,0,0,1.259576683,0.086124901,-0.162144581,-0.179528079,-0.113002563,0.052482362,0.708511884,0,0,0.051111111,-0.001068376,-0.007716049,-0.003726287,-0.004504505,-4.44E-17,0.027777778,0,0,0.027810801,-0.149273952,-0.111137064,-0.073179206,0.016530075,0.535798092,0,0,0.068376068,-0.128729424,-0.142530488,-0.089714715,0.041666667,0.5625,0,0,0.068376068,-0.128729424,-0.142530488,-0.089714715,0.041666667,0.5625,0,0,0.068376068,-0.128729424,-0.142530488,-0.089714715,0.041666667,0.5625,0,0,0.068376068,-0.128729424,-0.142530488,-0.089714715,0.041666667,0.5625,0,0,0.068376068,-0.128729424,-0.142530488,-0.089714715,0.041666667,0.5625,0,0,-0.02090301,-0.150966184,-0.07290562,-0.08813161,-8.68E-16,0.543478261,0,0,1.324640892,1.296708336,1.064707939,0.976186375,0.749855528,1.12E-05,0,0,1.282051282,1.311728395,1.117886179,0.957207207,0.694444444,0,0,0,1.282051282,1.311728395,1.117886179,0.957207207,0.694444444,0,0,0,1.282051282,1.311728395,1.117886179,0.957207207,0.694444444,0,0,0,1.282051282,1.311728395,1.117886179,0.957207207,0.694444444,0,0,0,1.282051282,1.311728395,1.117886179,0.957207207,0.694444444,0,0,0,1.384615385,1.275362319,1.011664899,1.008225617,0.782608696,0,0,0,35.59903787,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,7.11E-15,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,35.59903787,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,7.11E-15,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,35.59903787,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,7.11E-15,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,35.59903787,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,7.11E-15,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,35.59903787,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,7.11E-15,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,35.59903787,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,7.11E-15,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,36.58903364,18.28371435,26.68856135,36.5722298,4.063581089,18.2837144,-0.021604938,0.022535415,0.002503935,-3.413400471,50.36303448,5.59589272,3.527331717,0,11.9,12.1001487,-0.143946152,0.056549044,7.085701657,8.883942587,10,26,26,26,10,0,0,0,0,0,17.491312,3.757016578,3.185740805,2.836535512,2.426823824,2.211521199,1.471562475,1.264336079,1.097426256,1.975583004,1.736867412,1.43155352,1.297400688,0.831860552,0.652372991,0.557335073,0.506896178,3.778025097,3.219122453,2.873988597,2.471405742,2.270331117,1.567464496,1.375175843,1.217823822,1.924857425,1.671206629,1.355702341,1.206321902,0.703616534,0.509946975,0.40372359,0.358223075,3.870677717,3.36565678,3.040966006,2.67159666,2.527073578,1.963578043,1.821612731,1.692718987,1.77821677,1.476798391,1.131037214,0.929366266,0.287136914,0.036317866,0.122756992,0.144554024,3.793511123,3.243713977,2.901740099,2.504548574,2.313682742,1.636939095,1.454763952,1.303579765,1.892791218,1.629263384,1.307200637,1.147433606,0.618562076,0.414667209,0.299950047,0.258217256,3.916082484,3.436619162,3.122867834,2.769963884,2.648713072,2.139055753,2.0143456,1.893983416,1.733216136,1.415931034,1.061021449,0.841041762,0.14496987,0.129746103,0.315526022,0.325079404,3.819116945,3.322085838,2.972369601,2.572593891,2.431032163,1.806235052,1.645724075,1.49875441,1.841206195,1.534339337,1.215541955,1.016724357,0.431848347,0.210590008,0.07011568,0.051423302,0,0,0,0,0,0,7,2,0,0,0,0.11785113,0.25,0.294627825,0,0,0.11785113,0.25,0.294627825,0.333333333,0,0.083333333,0,0.333333333,0,0.083333333,0,0.942809042,1.5,1.414213562,0.942809042,1.5,1.414213562,6.104448007,4.466326495,3.735520021,3.216326495,2.686765231,1.779039102,0.936856351,0.560395406,0.678272001,0.44663265,0.287347694,0.189195676,0.127941201,0.088951955,0.06245709,0.043107339,6.104448007,4.466326495,3.735520021,3.216326495,2.686765231,1.779039102,0.936856351,0.560395406,0.678272001,0.44663265,0.287347694,0.189195676,0.127941201,0.088951955,0.06245709,0.043107339,13.33462243,24.10269483,22.80392157,23.08,15.38843593,190.9687353,0.533384897,0.964107793,0.912156863,0.9232,0.615537437,7.638749413,2.9767,39.299,55.16228989,65.35541437,110.3245798,12.25828664,55.16228989,8.33E-16,9.25E-17,-31.24970779,2000024.663,222224.9625,13.05780306,70,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,0,0,10.83564815,0,0,0,2.331018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.528935185,0,0,0,1.165509259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.560185185,0,0,0,1.165509259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.16666667,1.462962963,0.2,1.560185185,0.2,1.165509259,6.213465278,0.167824074,0.060185185,0.671296296,0.167824074,0.060185185,0.671296296,4.5,0.5,0,0,0.444,0.7,0.444,0.444,0.7,0,0,0,0,0.71429,0,0,0,0.22222,0,5,0.55556,5,0.55556,0,0,-5,-0.55556,0,0,9.28813,1.03201,9.28813,0,0,4.46631,0.49626,4.46631,0,0,-0.05231,-0.00581,0.11969,0.0133,0.36,28,0,0,0,0,0,0,1,0.942683189,1.217796812,1.841541933,2.50346519,2.72385619,2.98346519,23.56707973,30.44492029,46.03854833,62.58662974,68.09640474,74.58662974,0.202995776,0.26223827,0.396554471,0.539091886,0.586550504,0.642454259,3.701173001,3.426059378,2.802314256,2.140391,1.92,1.660391,0.200552128,0.259081466,0.391780779,0.532602339,0.579489655,0.634720445,6.78267514,10.08403861,13.74500857,15.62339962,15.84551518,17.86590363,35.24630968,31.68844423,27.39890701,26.01923289,25.32951093,22.03889308,5.76,2.319526627,0.996539792,0,0,0,2.45,1.1595,0,0,0,0,9.480406828,8.052870517,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.093,0.104,0.349,0.426,4.521,13,17,21,20,15,13,11,0,0,129,2.397895273,2.63905733,2.890371758,3.091042453,3.044522438,2.772588722,2.63905733,2.48490665,0,0,4.86753445,1,0.25,2,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,3,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,4,0.333333333,1,0.888888889,0.319444444,0.097222222,0,0,0,0,0,0,0.1,0.068376068,0.035493827,0.024305556,0,0,0,0,0,0,0.228175451,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,0,139.5074029,4.169925001,3.850147602,4.672828834,5.509388337,6.34738921,7.189167738,8.030409562,8.873047799,9.715168044,10.55791989,83.74546702,3.044522438,0,4.290459441,2.397895273,5.752572639,4.59511985,7.311218384,6.580639137,8.914760527,9.22818029,124.1252005,4.96500802,18.55905426,2.06211714,0,0,0,79,9,4.659,46,1.272680158,2.19999067,2.936400952,3.70316544,4.762300145,5.658319767,0,0,0,0,93.08468263,102.0204499,75.10854336,59.15434542,23.65307473,5.749215016,0,0,0,0,327.5108143,414.9502347,373.9081177,365.8935197,289.9347788,175.8817656,0,0,0,0,9.307022084,15.81426105,20.67767258,25.821262,32.67247124,38.01521766,0,0,0,0,2.401887919,3.28096582,3.264089964,3.459198828,3.252122761,2.515761988,0,0,0,0,179.4014472,328.8205534,470.150399,611.5582834,826.6976944,1046.323206,0,0,0,0,2.249236299,3.468338644,4.092535634,4.904410506,5.610475795,5.658319767,0,0,0,0,0.494994897,0.685915587,0.695154994,0.746713678,0.721077474,0.579411944,0,0,0,0,327.0302396,141.2503531,8.757295062,22.95751557,-9.915771656,-1.108151158,304.072724,151.1661248,9.865446221,0.934404804,0.403586557,0.025021718,0.065595196,-0.028331767,-0.003166257,114.4565794,49.435894,3.06494604,8.034849336,-3.470398662,-0.387839336,0.069751166,0.121660512,0.682023088,0.229563543,349.9877551,0,1,0,617.3896052,24.84732592,8.515035006,772.3821825,27.79176465,9.175098787,1072.124848,32.74331761,10.23485719,1.291804449,1.291804449,482.3623102,358.7785721,169.8253988,1.344456854,2.840342572,2.112632001,3.952667972,3.825125894,6.567110489,0.716835124,4.462408856,8.454820593,2.899705854,24.95496679,15.84692099,9.447351984,10.96492913,13.82620236,6.704949586,3.311416384,2.288134363,1.77597268,7.27E-09,1.60E-38,6.79E-90,5.56E-163,8.77E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499054,8.454525282,0.168992311,8.853477332,1.328055248,0.579534635,0.695283816,0.755518587,0.270327378,0.125478113,0.01665327,0.012508321,5.12E-11,1.13E-40,4.78E-92,3.91E-165,6.18E-260,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928596,8.454545645,0.594426037,10.3913228,2.984610589,1.930023126,2.09317862,2.670438202,1.054209085,0.505496557,0.169317707,0.130346347,5.34E-10,1.17E-39,4.98E-91,4.08E-164,6.44E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149947,8.454788393,2.685849346,23.35057346,14.49569378,8.741871492,10.08917261,12.75960772,6.123685179,3.020752524,2.039056797,1.582359684,6.48E-09,1.43E-38,6.05E-90,4.95E-163,7.82E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738317,8.454571475,0.925655537,11.96626393,4.509875492,2.993562448,3.260146748,4.208577189,1.749557183,0.846624816,0.366457399,0.283129683,1.16E-09,2.55E-39,1.08E-90,8.86E-164,1.40E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004953,8.454955847,3.744526629,31.59776838,21.37491928,12.24404774,14.48797508,18.0778184,9.069822198,4.496186564,3.335274926,2.590089245,1.06E-08,2.33E-38,9.90E-90,8.11E-163,1.28E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,3.084038615,8.305215451,1.750017094,16.8288338,9.00747271,5.672161173,6.535856908,8.407207508,3.79410541,1.857624003,1.070725537,0.829792715,3.40E-09,7.48E-39,3.17E-90,2.60E-163,4.10E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,3.450433174,1.775106297,0.68734217,0.583545111,0.300210017,0.529416239,0.503596312,0.426984382,5.912881641,9.716619294,19.83939313,0.375317667,1.459996933,2.704235021,1.181816243,0.186215659,0.664061338,0.290210899,0.325194545,0.223557676,0.031194678,4.072266923,3.919552469,8.586947669,0.496092007,0.579946899,2.98979763,1.408780449,0.378074563,0.625918997,0.294930478,0.397499085,0.317446638,0.128857179,4.776652642,5.874958933,12.24404971,0.438878495,0.843802901,3.430830543,1.759512131,0.674186085,0.585013849,0.300026175,0.523417996,0.49480054,0.410757828,5.864528759,9.535844769,19.47015713,0.377520774,1.428976364,3.121551947,1.513533942,0.46655945,0.61187161,0.296675649,0.433304206,0.366312534,0.196393116,5.101645338,6.887117945,14.19305831,0.417807415,0.996009856,3.512199557,1.82424502,0.728793253,0.579070377,0.300770567,0.54853972,0.531819804,0.480170967,6.06523783,10.29627735,21.03097558,0.368605566,1.56053049,3.439628582,1.76485948,0.678095938,0.584713891,0.300014327,0.526105895,0.497801354,0.415567481,5.882583999,9.599603323,19.59854234,0.377070837,1.439474729 +UMLS0087,L,hydrindan,C1CCC2CCCC2C1,10325, (cis) reported,UML,[1],C9H16,PubChem,,5.9,0,0.849,0.720801,41.158,22.50793,6,6,19,9,10,0,9,0,0,0,0,0,0,0,0,0,1308.537729,1563.71209,2120.623525,1624.338081,853.57306,158.493888,8.128512,0,0,4122.48956,5382.535181,7893.703283,7136.72533,4529.110611,1780.928074,248.6699554,0,0,135.049284,146.58148,260.53474,326.82618,253.934608,172.751616,53.747712,0,0,29.54622905,39.0244431,59.86042491,58.94299401,40.09970387,19.14249948,3.556903239,0,0,2990.325725,2799.169038,5265.53054,7156.429618,5725.049994,4241.400049,1479.341216,0,0,38.30555556,47.94444444,76.58333333,84.66666667,62.33333333,35,8,0,0,68.87040679,78.1856045,58.90620903,35.31169741,23.71036278,6.33975552,1.016064,0,0,216.9731347,269.1267591,219.2695357,155.1462028,125.8086281,71.23712296,31.08374443,0,0,7.107857053,7.329074,7.237076111,7.104916957,7.053739111,6.91006464,6.718464,0,0,1.555064687,1.951222155,1.662789581,1.281369435,1.113880663,0.765699979,0.444612905,0,0,157.3855645,139.9584519,146.2647372,155.5745569,159.0291665,169.656002,184.917652,0,0,2.016081871,2.397222222,2.127314815,1.84057971,1.731481481,1.4,1,0,0,0.042495238,0.002218087,-0.011305978,-0.01130795,-0.0181052,0.002803385,0.014450037,0,0,573.4705689,33.53629058,-86.1882668,-184.1142353,-258.2294375,-9.054798457,217.315163,0,0,1066.393011,62.36216439,-160.2707625,-342.3682825,-480.1886658,-16.83778438,404.1068252,0,0,0.112338947,0.006569529,-0.01688369,-0.036066715,-0.050585374,-0.001773773,0.042570548,0,0,4.767272928,0.278787891,-0.716484879,-1.530545519,-2.146666757,-0.07527273,1.806545531,0,0,25.89590221,1.514380246,-3.891957232,-8.313947551,-11.6607279,-0.408882666,9.813183995,0,0,3.18128655,0.619113573,-0.081794398,-0.70498615,-2.094952293,-0.36280394,1.034779932,0,0,0.002236591,1.11E-04,-3.14E-04,-2.46E-04,-5.03E-04,1.12E-04,0.001806255,0,0,30.18266152,1.676814529,-2.394118522,-4.002483376,-7.17303993,-0.362191938,27.16439537,0,0,56.12594795,3.118108219,-4.451965624,-7.44278875,-13.33857405,-0.673511375,50.51335315,0,0,0.005912576,3.28E-04,-4.69E-04,-7.84E-04,-0.001405149,-7.10E-05,0.005321319,0,0,0.250909101,0.013939395,-0.019902358,-0.033272729,-0.059629632,-0.003010909,0.225818191,0,0,1.362942221,0.075719012,-0.108109923,-0.18073799,-0.323909108,-0.016355307,1.226647999,0,0,0.167436134,0.030955679,-0.002272067,-0.015325786,-0.058193119,-0.014512158,0.129347492,0,0,0.049586319,-0.140416772,-0.10991055,-0.224861016,0.050136745,0.807592588,0,0,0.055555556,-0.079320988,-0.132608696,-0.237654321,-0.012,0.9,0,0,0.055555556,-0.079320988,-0.132608696,-0.237654321,-0.012,0.9,0,0,0.055555556,-0.079320988,-0.132608696,-0.237654321,-0.012,0.9,0,0,0.055555556,-0.079320988,-0.132608696,-0.237654321,-0.012,0.9,0,0,0.055555556,-0.079320988,-0.132608696,-0.237654321,-0.012,0.9,0,0,0.184880515,-0.013569751,-0.091532129,-0.347554126,-0.086672794,0.772518382,0,0,0.90107546,1.022318269,0.988202306,1.226937315,0.989934995,0.224951103,0,0,0.95,1.055555556,1.073913043,1.161111111,0.912,0,0,0,0.95,1.055555556,1.073913043,1.161111111,0.912,0,0,0,0.95,1.055555556,1.073913043,1.161111111,0.912,0,0,0,0.95,1.055555556,1.073913043,1.161111111,0.912,0,0,0,0.95,1.055555556,1.073913043,1.161111111,0.912,0,0,0,0.817279412,0.921185662,1.018182545,1.366498162,1.018455882,0,0,0,28.14939172,14.07469586,20.43865032,28.14939172,3.127710191,14.07469955,3.55E-15,0.14295299,0.015883666,-1.750715499,236.8524676,26.31694085,4.920693703,28.14939172,14.07469586,20.43865032,28.14939172,3.127710191,14.07469955,3.55E-15,0.14295299,0.015883666,-1.750715499,236.8524676,26.31694085,4.920693703,28.14939172,14.07469586,20.43865032,28.14939172,3.127710191,14.07469955,3.55E-15,0.14295299,0.015883666,-1.750715499,236.8524676,26.31694085,4.920693703,28.14939172,14.07469586,20.43865032,28.14939172,3.127710191,14.07469955,3.55E-15,0.14295299,0.015883666,-1.750715499,236.8524676,26.31694085,4.920693703,28.14939172,14.07469586,20.43865032,28.14939172,3.127710191,14.07469955,3.55E-15,0.14295299,0.015883666,-1.750715499,236.8524676,26.31694085,4.920693703,28.14939172,14.07469586,20.43865032,28.14939172,3.127710191,14.07469955,3.55E-15,0.14295299,0.015883666,-1.750715499,236.8524676,26.31694085,4.920693703,31.46619172,15.32665189,22.61988074,31.416809,3.490756556,15.32665299,-0.148148148,0.339557633,0.037728626,-0.972100429,46.44605376,5.16067264,3.454462354,0,11.9,12.1001487,-0.136013049,0.06484136,6.82275,8.573995955,10,20,17,14,4,3,0,0,0,6,10.93207,3.874742737,3.186632043,2.733390637,2.306789784,2.100002148,1.246116182,0.75322539,0.730315644,1.947517402,1.705424172,1.240737157,1.01051039,0.60356293,0.583924036,0.239916874,0.012160111,3.885811795,3.212730471,2.758321219,2.335813307,2.156159703,1.353783091,0.881703045,0.844436469,1.920092915,1.639677238,1.169965584,0.931752057,0.464767009,0.455658087,0.072342401,0.121893504,3.936693867,3.330283972,2.8784592,2.473080285,2.403309297,1.789300054,1.398517017,1.302020466,1.846772839,1.446879061,0.980512301,0.711961221,0.085123488,0.043359313,0.509265774,0.614388651,3.894075243,3.232122762,2.777249181,2.357696071,2.197700541,1.431292318,0.974204865,0.926539732,1.903335385,1.597820779,1.126400376,0.88248626,0.386465848,0.356226307,0.041405944,0.215389016,3.963008157,3.388834277,2.943131191,2.546023937,2.520822007,1.977054612,1.618439592,1.494302825,1.82581545,1.387282874,0.928131475,0.648220306,0.042838118,0.221661379,0.724687028,0.802160743,3.923769608,3.245654452,2.848260511,2.376036653,2.221987402,1.515214791,1.129938476,1.041927865,1.845567355,1.64148315,1.071946556,0.756372039,0.285235871,0.26062874,0.205370305,0.332021019,0,0,0,4,2,0,3,0,0,0,0,0.11785113,0.25,0.294627825,0,0,0.088388348,0.12983985,0.127672058,0.333333333,0,0.083333333,0,0.204124145,0,0.041666667,0,0.942809042,1.5,1.414213562,0.524377395,0.760310363,0.58528719,6.104448007,4.466326495,3.735520021,3.216326495,2.686765231,1.779039102,0.936856351,0.560395406,0.678272001,0.44663265,0.287347694,0.189195676,0.127941201,0.088951955,0.06245709,0.043107339,5.43072142,3.53445705,2.622263719,2.010616132,1.514565212,0.814809122,0.397590793,0.210790227,0.603413491,0.353445705,0.201712594,0.118271537,0.072122153,0.040740456,0.026506053,0.016214633,11.70913902,18.43918427,17.62745098,17.8,12.99277246,142.1120539,0.616270475,0.970483383,0.927760578,0.936842105,0.683830129,7.479581784,2.1753,38.467,55.16228989,65.35541437,110.3245798,12.25828664,55.16228989,3.33E-16,3.70E-17,-32.07436945,2000024.663,222224.9625,13.05780306,70,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,4,0,0,0,0,0,0,0,0,0,0,3,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.86935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.610694444,0,1.025416667,0,0,1.610694444,0,0,0,0,0,0,0,0,0,0,3.963981481,0,0,8.735092593,0,0,0,0,3.134259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.56712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.390972222,0,0.306805556,0,0,0.390972222,0,0,0,0,0,0,0,0,0,0,1.301759259,0,0,2.12912037,0,0,0,0,1.56712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.238425926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.414375,0,0.359305556,0,0,0.414375,0,0,0,0,0,0,0,0,0,0,1.360462963,0,0,2.238425926,0,0,0,0,1.56712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.83333333,1.759259259,0.414375,2.238425926,0.131944444,1.301759259,5.149283611,0.198240741,0.238425926,1.470185185,0.198240741,0.238425926,1.470185185,4.5,0.5,0,0,0.48947,0.7,0.444,0.444,0.7,0.04547,0.04547,0,0,0.71429,0,0,0,0.22222,0,11,1.22222,5,0.55556,6,0.66667,1,0.11111,0,0,5.05896,0.56211,9.28813,4.22917,0.46991,2.48601,0.27622,4.46631,1.9803,0.22003,-0.05231,-0.00581,0.11969,0.0133,0.473684211,28,0,0,0,0,0,0,0.333333333,0.998000884,2.378991987,2.879506461,3.090032777,3.090032777,3.090032777,18.96201679,45.20084775,54.71062276,58.71062276,58.71062276,58.71062276,0.234938304,0.560035919,0.677861487,0.727421258,0.727421258,0.727421258,3.24992663,1.868935527,1.368421053,1.157894737,1.157894737,1.157894737,0.220622795,0.52591122,0.636557317,0.68309726,0.68309726,0.68309726,6.618775012,17.57337413,20.39194725,20.60412094,20.60412094,20.60412094,32.44785067,25.94856356,22.22178931,21.69634614,21.69634614,21.69634614,5.76,2.319526627,0.996539792,0,6,0,2.45,1.0305,0,0,0,0,9.480406828,8.052870517,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.115,0.112,0.679,0.88,4.751,13,17,21,20,15,13,11,0,0,129,2.63905733,3.157000421,3.682609841,4.156928049,4.52517956,4.274928499,4.286599261,4.274928499,0,0,6.113474747,3.495397287,0.25,2,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,3,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,4,0.333333333,1,0.888888889,0.319444444,0.097222222,0,0,0,0,0,0,0.1,0.068376068,0.035493827,0.024305556,0,0,0,0,0,0,0.228175451,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,0,120.6980268,4.169925001,3.850147602,4.672828834,5.509388337,6.34738921,7.189167738,8.030409562,8.873047799,9.715168044,10.55791989,83.74546702,3.044522438,0,4.290459441,2.397895273,5.752572639,4.59511985,7.311218384,6.580639137,8.914760527,9.22818029,118.0782503,6.214644754,18.55905426,2.06211714,0,0,0,79,9,2.885,46,1.234938782,2.136671487,2.954928226,3.99660203,4.992498829,5.987118636,0,0,0,0,104.9291459,135.1410274,114.8061128,100.6290122,32.09916131,6.08329571,0,0,0,0,351.9222906,491.7198632,490.3139461,524.652048,359.0297876,186.1020656,0,0,0,0,9.077755619,15.5026142,21.07475079,28.26100068,34.51461104,40.22424102,0,0,0,0,2.515806181,3.684501347,3.986907982,4.600559864,3.849772751,2.661950209,0,0,0,0,171.1717186,309.8845246,453.8239587,630.2391966,845.7232648,1107.123921,0,0,0,0,3.053334015,4.679637776,5.62012794,7.065764525,7.000456184,5.987118636,0,0,0,0,0.515955815,0.762714067,0.838143655,0.979529198,0.84653377,0.613080948,0,0,0,0,254.4920433,108.7317985,10.88254979,116.0140752,-49.56704693,-5.151820465,138.4779681,158.2988454,16.03437026,0.686876763,0.293468294,0.029372119,0.313123237,-0.133781993,-0.013904819,94.29085915,40.28579663,4.032051284,42.98392471,-18.36489416,-1.908781004,0.145200901,0.143908275,3.498021909,1.75597982,370.5061185,0,1,0,777.9247291,27.89130203,9.196993067,875.6443391,29.59128823,9.567003102,1283.456464,35.82536063,10.8674349,1.240812914,1.171154257,428.2530259,309.9090564,128.332611,1.381866767,3.337055347,2.414889356,3.700384901,3.843827416,6.243179937,0.624209222,3.115752906,1.883914241,15.16028165,6.059289579,13.31897484,5.687062243,3.657343393,3.368426825,6.845137054,1.7854586,0.053101469,0.003267822,2.25E-25,3.72E-69,1.24E-134,8.07E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.261588035,1.883787478,1.254382012,3.43005419,0.837902296,3.49784997,1.226611374,2.084560729,0.062305149,0.146111489,3.74E-04,2.30E-05,1.59E-27,2.62E-71,8.71E-137,5.69E-224,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844183934,1.883796246,3.669553862,3.605758504,2.879771795,3.905389699,1.711726971,2.337007855,0.538605287,0.47412329,0.003897348,2.40E-04,1.65E-26,2.73E-70,9.07E-136,5.92E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.941022978,1.883900429,14.1592163,5.770627373,12.37596308,5.539128295,3.504627082,3.286427175,6.108598632,1.682759168,0.047312453,0.002911571,2.01E-25,3.32E-69,1.10E-134,7.19E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.244117754,1.883807344,5.453185716,3.833556051,4.431628783,4.196829404,2.048024187,2.513160473,1.135239854,0.70125691,0.00846556,5.21E-04,3.59E-26,5.93E-70,1.97E-135,1.29E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.762699184,1.883972253,19.03681294,7.273072173,17.01368389,6.250591033,4.227221122,3.675897661,9.937017415,2.168365012,0.077443501,0.004765812,3.28E-25,5.43E-69,1.80E-134,1.18E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.743090284,1.994302543,7.220535775,4.452636119,6.403914329,4.550191212,2.520581171,2.679374455,2.250012487,0.857642358,0.017157217,0.001055842,7.27E-26,1.20E-69,4.00E-135,2.61E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.729887615,1.828070464,0.260803998,0.641010505,0.314168278,0.561613568,0.516026417,0.315811121,5.818762077,8.268035069,15.86508852,0.461515757,1.393451107,2.635037293,1.04445386,0.042268017,0.708008544,0.280634456,0.280304148,0.168444507,0.008295159,3.721759171,2.907699669,6.745787816,0.562012817,0.457043813,2.997671529,1.304006074,0.114651594,0.678769946,0.295269219,0.36276041,0.262568156,0.061032392,4.416329197,4.402176075,9.266676276,0.518154919,0.686360958,3.694121954,1.802472466,0.25366511,0.642426996,0.313459324,0.550894922,0.501675997,0.298758632,5.750259531,8.052847339,15.49214948,0.463640493,1.351329551,3.186188843,1.43893386,0.152280361,0.666929041,0.301195826,0.409819907,0.319717163,0.107668246,4.777403064,5.289030366,10.76459549,0.500393561,0.837205315,3.845741847,1.910988799,0.283928677,0.636642731,0.316354341,0.597043126,0.563900363,0.3742978,6.040659322,8.983670508,17.11096983,0.454964096,1.535241289,3.700962461,1.80525726,0.253944738,0.64250986,0.31340377,0.552937162,0.503227337,0.299417651,5.760164458,8.079464873,15.53628221,0.46376479,1.35558215 +UMLS0088,L,"2,3-dihydroindene",C1CC2=CC=CC=C2C1,10326,"""hydrindene""; ""2,3-dihydroindene""","Sandia, UML",[1],C9H10,PubChem,,10.5,0,1.8744,3.51337536,19.5676,11.040758,0,0,10,4,6,0,4,0,0,0,0,0,0,0,0,0,583.152868,505.434891,367.267154,216.906649,72.642528,9.144576,0,0,0,1880.570074,1958.970403,1721.955968,1111.9366,688.4196982,279.7536999,0,0,0,70.472848,65.32734,98.097608,50.246308,42.705792,60.466176,0,0,0,13.82327743,15.04796586,14.92674329,9.47016586,6.68126586,4.001516144,0,0,0,1616.683337,1299.118355,2281.829911,1045.529642,918.7352863,1664.258868,0,0,0,26.5,28.25,31,19,12,9,0,0,0,58.3152868,56.15943233,26.23336814,30.98666414,12.107088,1.016064,0,0,0,188.0570074,217.6633782,122.9968549,158.8480857,114.7366164,31.08374443,0,0,0,7.0472848,7.258593333,7.006972,7.178044,7.117632,6.718464,0,0,0,1.382327743,1.671996207,1.066195949,1.352880837,1.11354431,0.444612905,0,0,0,161.6683337,144.3464838,162.9878508,149.3613775,153.1225477,184.917652,0,0,0,2.65,3.138888889,2.214285714,2.714285714,2,1,0,0,0,0.030619665,0.011320168,-0.01473129,-0.023225907,-5.79E-04,0.011905739,0,0,0,290.5584216,-43.58376324,29.05584216,-130.7512897,-174.335053,174.335053,0,0,0,540.3057923,-81.04586884,54.03057923,-243.1376065,-324.1834754,324.1834754,0,0,0,0.0569184,-0.00853776,0.00569184,-0.02561328,-0.03415104,0.03415104,0,0,0,2.415418284,-0.362312743,0.241541828,-1.086938228,-1.44925097,1.44925097,0,0,0,13.12059045,-1.968088568,1.312059045,-5.904265704,-7.872354271,7.872354271,0,0,0,4,0.5,-0.5,-2.75,-1.5,2.25,0,0,0,0.003061967,0.001257796,-0.001052235,-0.003317987,-9.64E-05,0.00132286,0,0,0,29.05584216,-4.84264036,2.075417297,-18.67875567,-29.05584216,19.37056144,0,0,0,54.03057923,-9.005096538,3.859327088,-34.73394379,-54.03057923,36.02038615,0,0,0,0.00569184,-9.49E-04,4.07E-04,-0.00365904,-0.00569184,0.00379456,0,0,0,0.241541828,-0.040256971,0.017252988,-0.15527689,-0.241541828,0.161027886,0,0,0,1.312059045,-0.218676508,0.093718503,-0.843466529,-1.312059045,0.87470603,0,0,0,0.4,0.055555556,-0.035714286,-0.392857143,-0.25,0.25,0,0,0,0.410780593,-0.343646795,-1.083612989,-0.031490812,0.432029509,0,0,0,-0.166666667,0.071428571,-0.642857143,-1,0.666666667,0,0,0,-0.166666667,0.071428571,-0.642857143,-1,0.666666667,0,0,0,-0.166666667,0.071428571,-0.642857143,-1,0.666666667,0,0,0,-0.166666667,0.071428571,-0.642857143,-1,0.666666667,0,0,0,-0.166666667,0.071428571,-0.642857143,-1,0.666666667,0,0,0,0.138888889,-0.089285714,-0.982142857,-0.625,0.625,0,0,0,0.501147689,1.511233744,2.569952971,0.22378793,0,0,0,0,1.25,0.803571429,1.607142857,1.875,0,0,0,0,1.25,0.803571429,1.607142857,1.875,0,0,0,0,1.25,0.803571429,1.607142857,1.875,0,0,0,0,1.25,0.803571429,1.607142857,1.875,0,0,0,0,1.25,0.803571429,1.607142857,1.875,0,0,0,0,0.8125,1.125,2.169642857,1.125,0,0,0,0,7.743848737,3.871924369,6.259350255,7.743848737,1.935962184,3.915667798,-1.33E-15,1.11E-16,2.78E-17,-14.69472023,15.94189626,3.985474065,1.107580251,7.743848737,3.871924369,6.259350255,7.743848737,1.935962184,3.915667798,-1.33E-15,1.11E-16,2.78E-17,-14.69472023,15.94189626,3.985474065,1.107580251,7.743848737,3.871924369,6.259350255,7.743848737,1.935962184,3.915667798,-1.33E-15,1.11E-16,2.78E-17,-14.69472023,15.94189626,3.985474065,1.107580251,7.743848737,3.871924369,6.259350255,7.743848737,1.935962184,3.915667798,-1.33E-15,1.11E-16,2.78E-17,-14.69472023,15.94189626,3.985474065,1.107580251,7.743848737,3.871924369,6.259350255,7.743848737,1.935962184,3.915667798,-1.33E-15,1.11E-16,2.78E-17,-14.69472023,15.94189626,3.985474065,1.107580251,7.743848737,3.871924369,6.259350255,7.743848737,1.935962184,3.915667798,-1.33E-15,1.11E-16,2.78E-17,-14.69472023,15.94189626,3.985474065,1.107580251,7.520324533,3.735162266,6.187108678,7.495324533,1.873831133,3.787698375,-0.05,5.55E-16,1.39E-16,-14.05094506,20.31590073,5.078975182,1.204561547,0,11.89,12.11003668,-0.176189995,0.067113251,4.530135677,5.049275898,3,9,8,8,2,0,0,1,0,1,6.559242,3.400513416,2.531886774,1.760365009,0.083923071,0.083923071,0.083923071,0.083923071,0.475084824,1.704929687,1.344904547,0.475084824,0.083923071,0.083923071,0.083923071,0.083923071,1.760365009,3.415990081,2.592811184,1.825844668,0.270913902,0.270913902,0.270913902,0.270913902,0.403567469,1.65038062,1.238870039,0.403567469,0.270913902,0.270913902,0.270913902,0.270913902,1.825844668,3.492386447,2.851618157,2.084755963,0.943918427,0.943918427,0.943918427,0.943918427,0.13039599,1.509354548,0.901173176,0.13039599,0.943918427,0.943918427,0.943918427,0.943918427,2.084755963,3.427824023,2.637277489,1.872621411,0.399277246,0.399277246,0.399277246,0.399277246,0.35275281,1.617298242,1.169117381,0.35275281,0.399277246,0.399277246,0.399277246,0.399277246,1.872621411,3.53481504,2.97117166,2.192531824,1.207644823,1.207644823,1.207644823,1.207644823,0.023887197,1.471690447,0.787651234,0.023887197,1.207644823,1.207644823,1.207644823,1.207644823,2.192531824,3.471487278,2.594901666,1.897088394,0.444444444,0.444444444,0.444444444,0.444444444,0.282547883,1.599960146,1.192080419,0.282547883,0.444444444,0.444444444,0.444444444,0.444444444,1.897088394,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,3,1.25,0.5,0.25,0,0,0,0,0.75,0.416666667,0.25,0.25,0,0,0,0,5.625483411,9.663510561,9.176470588,9.28,6.395663473,75.82745988,0.562548341,0.966351056,0.917647059,0.928,0.639566347,7.582745988,1.10919,18.479,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.761111111,0,0,0,0,0,0,0,0,0,0,3.638888889,0,0,0,0,0,0,0,5.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.680555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380555556,0,0,0,0,0,0,0,0,0,0,1.819444444,0,0,0,0,0,0,0,2.680555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.680555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380555556,0,0,0,0,0,0,0,0,0,0,1.819444444,0,0,0,0,0,0,0,2.680555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,2.25,0.380555556,2.680555556,0.319444444,1.819444444,2.242138889,0.180555556,0.180555556,0.722222222,0.180555556,0.180555556,0.722222222,2,0.5,0,0,0.46,0.7,0.41429,0.41429,0.7,0.04571,0.04571,0,0,0.71429,0,0,0.5,0,0,3.5,0.875,1.5,0.375,2,0.5,0.5,0.125,0,0,1.72476,0.43119,2.95465,1.22989,0.30747,0.98317,0.24579,1.91421,0.93104,0.23276,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3,0,0,0,0,0,0,1,0.970950594,1.370950594,1.370950594,1.370950594,0.906564975,0.442179356,9.709505945,13.70950594,13.70950594,13.70950594,9.065649755,4.421793565,0.292285253,0.412697252,0.412697252,0.412697252,0.272903251,0.13310925,2.3509775,1.9509775,1.9509775,1.9509775,2.415363119,2.879748738,0.280667665,0.396293595,0.396293595,0.396293595,0.262056047,0.127818499,6.79089428,11.59089428,11.59089428,11.59089428,6.018266852,0.445639424,15.34358585,13.79833099,13.79833099,13.79833099,8.225703567,2.653076139,4,3,4,4,2,4,1.9,0.5862,0.333333333,2.828427125,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.113,0.096,0.161,0.08,1.104,2,1,0,0,0,0,0,0,0,10,1.791759469,1.945910149,1.386294361,0,0,0,0,0,0,0,2.944438979,1.8,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,0,72.4674798,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,54.04695019,5.404695019,6.871320344,1.717830086,0,0,0,10,1,1.616,10,1.203333333,2.069423843,3.346668694,4.626074073,5.07790647,0,0,0,0,0,75.53730712,66.99667523,118.9064125,56.00828589,5.15947796,0,0,0,0,0,280.5170334,290.1792839,567.1362628,530.7800862,157.840347,0,0,0,0,0,8.759974325,14.57855808,24.07118681,32.92669285,34.11573182,0,0,0,0,0,2.112862411,2.42199331,4.720389142,5.151338461,2.257702746,0,0,0,0,0,172.1113933,331.7087086,496.834058,708.3562479,938.9945417,0,0,0,0,0,3.959,4.955730282,9.256386021,9.252148145,5.07790647,0,0,0,0,0,0.43758,0.512375655,0.994489058,1.110257777,0.519977623,0,0,0,0,0,271.5260205,59.25426721,9.875711201,246.1171463,-53.70936873,-12.88539825,25.40887413,112.9636359,22.76110945,0.524542847,0.114469331,0.019078222,0.475457153,-0.103757515,-0.024892434,140.5535891,30.67256652,5.11209442,127.400859,-27.80228772,-6.670038355,0.166666667,0.487851597,8.18515786,35.13380937,517.6431668,0,1,0,231.3074059,15.2087937,6.138512992,289.4296223,17.01263126,6.614763571,279.6987447,16.72419638,6.539785526,2.449408055,2.449408055,151.2658901,151.2658901,6.741696998,1,22.43736112,22.43736112,2.497139722,3.21244681,5.188898202,0.615247974,1.684574703,1.828234863,2.279089353,0.072858351,0.065850242,0.001538536,0.099221555,1.22422073,0.545596875,3.76E-04,1.61E-28,1.33E-74,2.12E-142,6.50E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.151608527,1.828113291,0.166621973,0.07285737,0.005600691,1.29E-04,0.099221555,0.102744676,0.003843074,2.65E-06,1.13E-30,9.36E-77,1.49E-144,4.58E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.464519605,1.828121651,0.554116125,0.07285757,0.017898909,4.17E-04,0.099221555,0.33166056,0.040044727,2.76E-05,1.18E-29,9.75E-76,1.55E-143,4.77E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.590727612,1.828221599,2.134304064,0.072858291,0.062161808,0.001452252,0.099221555,1.155564314,0.486117261,3.35E-04,1.43E-28,1.18E-74,1.89E-142,5.79E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.67932325,1.828132276,0.833095773,0.072857708,0.02634125,6.14E-04,0.099221555,0.48880452,0.086981537,5.99E-05,2.56E-29,2.12E-75,3.37E-143,1.04E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.032048239,1.828290584,2.832719538,0.072858574,0.079506854,0.001858004,0.099221555,1.478425054,0.795700492,5.48E-04,2.35E-28,1.94E-74,3.09E-142,9.48E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.674889438,1.805629287,1.030489491,0.071958336,0.03255871,7.60E-04,0.078397278,0.483643065,0.107773225,7.42E-05,3.18E-29,2.62E-75,4.18E-143,1.28E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.472400638,0.33446763,0.33446763,0.869890769,0.065054616,0.813355632,0.4,0.4,5.141335898,3.103615079,8.745272155,0.804836153,1.613355632,2.736155522,0.06232777,0.06232777,0.956426504,0.021786748,0.304425224,0.013890407,0.013749746,2.860811061,0.344961693,3.216402036,0.934639756,0.332065377,3.36615408,0.161074034,0.161074034,0.912656812,0.043671594,0.46075182,0.092769,0.092588076,3.688302148,1.110344879,4.885981371,0.868985218,0.646108896,4.422864947,0.326703383,0.326703383,0.871282153,0.064358924,0.795438181,0.374345698,0.374345698,5.076271713,2.996664981,8.545011628,0.806923229,1.544129578,3.670682993,0.208806036,0.208806036,0.897851778,0.051074111,0.547889322,0.155897053,0.119826295,4.088295066,1.576521494,5.824858195,0.846777667,0.82361267,4.630002394,0.359170202,0.359170202,0.865689162,0.067155419,0.871688884,0.461267019,0.461267019,5.348342798,3.454921024,9.400549105,0.798533743,1.794222923,4.399120967,0.324772916,0.324772916,0.871343097,0.064328451,0.786920548,0.377147658,0.195025478,5.048666799,2.962908136,8.475582984,0.807014646,1.359093683 +UMLS0089,L,dimethylacetylene,CC#CC,10419,"""dimethylacetylene""","Sandia, UML",[1],C4H6,PubChem,,15.7,0,1.9957,3.98281849,25.8352,15.46793,0,0,15,5,10,0,5,0,0,0,0,0,0,0,0,0,731.481245,698.127364,719.379028,497.39693,160.526016,18.289152,0,0,0,2428.421953,2841.433771,3235.924087,2890.807515,1843.095563,559.5073998,0,0,0,104.88722,101.338384,168.922192,156.236168,186.188544,120.932352,0,0,0,18.39062905,22.2910431,27.40610355,25.84189198,20.03172529,8.003032287,0,0,0,2483.148301,2038.402901,3855.784317,3411.424979,4611.235353,3328.517736,0,0,0,28.77777778,34,44,44,39,18,0,0,0,48.76541633,49.86624029,29.97412617,22.60895136,5.945408,1.016064,0,0,0,161.8947969,202.9595551,134.8301703,131.4003416,68.26279863,31.08374443,0,0,0,6.992481333,7.238456,7.038424667,7.101644,6.895872,6.718464,0,0,0,1.226041937,1.592217364,1.141920981,1.174631454,0.741915752,0.444612905,0,0,0,165.54322,145.6002072,160.6576799,155.0647718,170.7864946,184.917652,0,0,0,1.918518519,2.428571429,1.833333333,2,1.444444444,1,0,0,0,0.030208386,0.002141191,-0.007363347,-0.024577509,0.001278007,0.013417465,0,0,0,403.5533633,-53.80711511,40.35533633,-309.3909119,-121.066009,242.132018,0,0,0,750.4247115,-100.0566282,75.04247115,-575.3256121,-225.1274134,450.2548269,0,0,0,0.079053333,-0.010540444,0.007905333,-0.060607556,-0.023716,0.047432,0,0,0,3.354747616,-0.447299682,0.335474762,-2.571973172,-1.006424285,2.01284857,0,0,0,18.22304229,-2.429738973,1.822304229,-13.97099909,-5.466912688,10.93382538,0,0,0,2.992592593,-0.93382716,0.908148148,-2.092839506,-1.12,1.742222222,0,0,0,0.002013892,1.53E-04,-3.07E-04,-0.00111716,4.73E-05,7.45E-04,0,0,0,26.90355756,-3.843365365,1.681472347,-14.06322327,-4.483926259,13.45177878,0,0,0,50.0283141,-7.146902014,3.126769631,-26.15116419,-8.33805235,25.01415705,0,0,0,0.005270222,-7.53E-04,3.29E-04,-0.002754889,-8.78E-04,0.002635111,0,0,0,0.223649841,-0.031949977,0.013978115,-0.116907871,-0.037274974,0.111824921,0,0,0,1.214869486,-0.173552784,0.075929343,-0.635045413,-0.202478248,0.607434743,0,0,0,0.199506173,-0.06670194,0.037839506,-0.095129068,-0.041481481,0.096790123,0,0,0,0.075943586,-0.152344849,-0.554726506,0.023503541,0.370136317,0,0,0,-0.142857143,0.0625,-0.522727273,-0.166666667,0.5,0,0,0,-0.142857143,0.0625,-0.522727273,-0.166666667,0.5,0,0,0,-0.142857143,0.0625,-0.522727273,-0.166666667,0.5,0,0,0,-0.142857143,0.0625,-0.522727273,-0.166666667,0.5,0,0,0,-0.142857143,0.0625,-0.522727273,-0.166666667,0.5,0,0,0,-0.334335219,0.189665842,-0.476822682,-0.207920792,0.485148515,0,0,0,1.199472011,1.386406537,1.775316849,0.588015063,1.43E-05,0,0,0,1.5,0.9625,1.622727273,0.933333333,0,0,0,0,1.5,0.9625,1.622727273,0.933333333,0,0,0,0,1.5,0.9625,1.622727273,0.933333333,0,0,0,0,1.5,0.9625,1.622727273,0.933333333,0,0,0,0,1.5,0.9625,1.622727273,0.933333333,0,0,0,0,1.726485149,0.703898515,1.630288029,1.03960396,0,0,0,0,12.59144058,6.295720288,9.123201958,12.59144058,2.518288115,6.299815432,-1.78E-15,0.025578131,0.005115626,-1.833008777,16.75409987,3.350819973,1.409321498,12.59144058,6.295720288,9.123201958,12.59144058,2.518288115,6.299815432,-1.78E-15,0.025578131,0.005115626,-1.833008777,16.75409987,3.350819973,1.409321498,12.59144058,6.295720288,9.123201958,12.59144058,2.518288115,6.299815432,-1.78E-15,0.025578131,0.005115626,-1.833008777,16.75409987,3.350819973,1.409321498,12.59144058,6.295720288,9.123201958,12.59144058,2.518288115,6.299815432,-1.78E-15,0.025578131,0.005115626,-1.833008777,16.75409987,3.350819973,1.409321498,12.59144058,6.295720288,9.123201958,12.59144058,2.518288115,6.299815432,-1.78E-15,0.025578131,0.005115626,-1.833008777,16.75409987,3.350819973,1.409321498,12.59144058,6.295720288,9.123201958,12.59144058,2.518288115,6.299815432,-1.78E-15,0.025578131,0.005115626,-1.833008777,16.75409987,3.350819973,1.409321498,13.52544494,6.749389138,9.685484733,13.50944494,2.701888989,6.751858388,-0.026666667,0.042162406,0.008432481,-1.583113155,17.95256293,3.590512587,1.443866443,0,11.89,12.11005553,-0.173417077,0.049537652,5.301742651,7.065138513,4,14,13,13,3,1,1,0,0,1,10.93207,3.497040049,2.651869517,2.333552793,1.671971934,0.356070345,0.083923071,0.083923071,0.083923071,1.844031176,1.408750484,1.249629723,0.672400974,0.083923071,0.083923071,0.083923071,0.083923071,3.518085437,2.707494585,2.405454588,1.751802349,0.481023262,0.270913902,0.270913902,0.270913902,1.788895093,1.30824966,1.134540686,0.548519172,0.270913902,0.270913902,0.270913902,0.270913902,3.614795232,2.945683964,2.704236987,2.081423913,0.959218533,0.943918427,0.943918427,0.943918427,1.63490963,0.991666913,0.76031856,0.14278982,0.943918427,0.943918427,0.943918427,0.943918427,3.533814008,2.748193567,2.457539916,1.809545567,0.569417198,0.399277246,0.399277246,0.399277246,1.754477933,1.242410912,1.058262671,0.466249758,0.399277246,0.399277246,0.399277246,0.399277246,3.664326084,3.056830088,2.838982085,2.228586844,1.207644823,1.207644823,1.207644823,1.207644823,1.589649667,0.886510187,0.631337262,0.001402598,1.150753904,1.207644823,1.207644823,1.207644823,3.530483688,2.806087301,2.527114381,1.868779267,0.613411865,0.517241379,0.517241379,0.517241379,1.740350938,1.169007688,0.975390243,0.392162117,0.517241379,0.517241379,0.517241379,0.517241379,0,0,0,1,1,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.288675135,0,0,0,0.40824829,0,0,0.288675135,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,4.077350269,1.866025404,1.366025404,0.577350269,0,0,0,0,0.815470054,0.466506351,0.341506351,0.288675135,0,0,0,0,7.709139019,14.43918427,13.62745098,13.8,8.992772455,115.1412754,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.89869,24.835,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,3,0,1,0,0,0,0,0,0,0,0,3,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.462962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331944444,0,0,0,0.870833333,0,0.331944444,0,0,0,0,0,0,0,0,6.203703704,0,0,0,2.083333333,0,0,0,0,1.37962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.37962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331944444,0,0,0,0.290277778,0,0.331944444,0,0,0,0,0,0,0,0,2.037037037,0,0,0,2.083333333,0,0,0,0,1.37962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331944444,0,0,0,0.290277778,0,0.331944444,0,0,0,0,0,0,0,0,2.083333333,0,0,0,2.083333333,0,0,0,0,1.37962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.666666667,1.933333333,0.331944444,2.083333333,0.097222222,1.37962963,3.068805556,0.287037037,0.083333333,0.574074074,0.287037037,0.083333333,0.574074074,2.5,0.5,0,0,0.43333,0.7,0.41765,0.41765,0.7,0.01569,0.01569,0,0,0.71429,0,0,0.6,0.2,0,3,0.6,2,0.4,1,0.2,-1,-0.2,0,0,3.50831,0.70166,4.43249,0.92419,0.18484,1.61803,0.32361,2.27005,0.65201,0.1304,0.14395,0.02879,0.14395,0.02879,0,4,0,0,0,0,0,0,0.6,0.918295834,1.687943095,1.871602261,2.422579762,1.901661016,0.993156857,13.77443751,25.31914642,28.07403392,36.33869643,28.52491524,14.89735285,0.235045188,0.43204258,0.479051618,0.620078731,0.486745397,0.254206467,2.988594762,2.218947501,2.035288334,1.484310834,2.00522958,2.913733739,0.235045188,0.43204258,0.479051618,0.620078731,0.486745397,0.254206467,6.73287657,12.53178928,14.73569928,15.2909882,9.039963247,1.000928341,19.74937501,15.7245272,13.57936725,14.16553733,11.04002485,4.565784285,5,2.25,4,5,2,4,2.01,0.7701,1.144714243,1.889881575,2.381101578,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,2.186,4,2,0,0,0,0,0,0,0,15,1.791759469,2.079441542,1.609437912,0,0,0,0,0,0,0,3.091042453,1.4,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.75,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,0,92.39992313,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,70.07825032,4.671883355,8.696801932,1.739360386,0,0,0,18,2,2.372,16,1.199294861,2.069147807,3.035533242,3.665862874,4.244493343,0,0,0,0,0,69.75693924,73.04912602,74.00039688,22.77750228,4.312676884,0,0,0,0,0,266.6622848,311.2129086,413.7735706,257.6520978,131.9347463,0,0,0,0,0,8.712890055,14.63953344,21.58930139,25.31467977,28.51647572,0,0,0,0,0,2.035707459,2.56174015,3.655270906,2.779015891,1.887156515,0,0,0,0,0,172.6348307,326.9161713,468.4270876,623.2634339,784.8817431,0,0,0,0,0,3.027026626,4.033399372,6.186634625,5.383716066,4.244493343,0,0,0,0,0,0.422624373,0.540327396,0.778182128,0.611760957,0.434636118,0,0,0,0,0,264.2921107,80.07118298,7.877612661,95.22651662,-28.8502741,-5.734700382,169.0655941,108.9214571,13.61231304,0.735127725,0.222717759,0.021911556,0.264872275,-0.080246952,-0.015951052,95.01793683,28.78708179,2.83214849,34.23570654,-10.37221094,-2.061731609,0.187707827,0.291737422,4.177396507,8.394894879,359.5186273,0,1,0,270.9391488,16.46022931,6.47078923,371.2299077,19.26732747,7.187000126,387.6811933,19.68962146,7.291634837,1.366185992,1.162050534,192.7983454,139.8828763,62.52863628,1.378284109,3.083360791,2.237101024,3.26702714,3.212995232,5.291360521,0.646862239,4.144994086,3.099952019,1.342133078,5.707463885,4.54491705,6.794926374,2.51730455,3.115908412,1.98276274,0.025732023,3.10E-22,7.22E-64,3.24E-127,2.80E-212,4.68053E-319,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.34786551,3.093319822,0.108679681,3.852787428,1.205665275,0.302697058,0.412342279,0.185188019,0.013964825,1.81E-04,2.19E-24,5.09E-66,2.28E-129,1.97E-214,3.295E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.122940405,3.093763086,0.353438143,4.111378791,1.72838366,1.153441697,0.663420921,0.648091399,0.145523733,0.001888585,2.28E-23,5.30E-65,2.38E-128,2.06E-213,3.435E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.912536595,3.099223893,1.264140032,5.551474268,4.284278982,6.229629303,2.325261383,2.888620383,1.766605949,0.022926769,2.77E-22,6.43E-64,2.89E-127,2.50E-212,4.17026E-319,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.655005021,3.094337721,0.523540253,4.324520469,2.134392389,1.878327555,0.888805318,1.006039109,0.316096835,0.004102259,4.95E-23,1.15E-64,5.17E-128,4.47E-213,7.4614E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.005679543,3.103013673,1.633724246,6.333219348,5.573766399,9.078545149,3.300088832,4.01180809,2.891672902,0.037527737,4.53E-22,1.05E-63,4.73E-127,4.09E-212,6.8261E-319,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.217894098,2.938106492,0.62901952,4.651977939,2.637310277,2.676575327,1.172764841,1.401701647,0.530465881,0.006884311,8.30E-23,1.93E-64,8.67E-128,7.50E-213,1.2522E-319,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.855059061,1.457822529,0.317950926,0.616532568,0.314807872,0.572967044,0.505983963,0.399991232,4.630832516,5.533454116,11.48765225,0.424798851,1.478942239,1.927368755,0.829528085,0.068545206,0.682147687,0.29359232,0.262927158,0.16584188,0.018590217,2.825442047,1.787778575,4.722811143,0.52322153,0.447359254,2.295069456,1.079814021,0.167601063,0.647869999,0.304818273,0.371401128,0.279660085,0.111143436,3.54248454,3.043882235,7.001723804,0.471804999,0.762204649,2.832026083,1.442333708,0.311776343,0.617518975,0.314498669,0.563807317,0.495434858,0.384606484,4.586136135,5.417370948,11.27702823,0.426278462,1.443848659,2.459318181,1.191027377,0.211754335,0.636782644,0.308388548,0.42596065,0.339484856,0.177416866,3.862099893,3.702091778,8.184444529,0.455173966,0.942862372,2.927185861,1.506297195,0.337281897,0.613567403,0.315734942,0.602133734,0.53969994,0.4501076,4.770764952,5.904545425,12.16245771,0.420351104,1.591941274,2.832389185,1.442083139,0.311287284,0.617648858,0.314469851,0.563961616,0.495291808,0.383400826,4.585759609,5.415129568,11.27235475,0.426473287,1.44265425 +UMLS0090,L,2-Methyl-2-Butene,CC=C(C)C,10553,,"Sandia, UML",[1],C5H10,PubChem,,12.6,0,2.3078,5.32594084,28.8584,17.22793,0,0,16,6,10,0,6,0,0,0,0,0,0,0,0,0,875.745366,842.391485,994.784118,819.198244,254.334528,25.4016,0,0,0,2851.938855,3264.950672,3937.13753,3988.799934,2667.737261,777.0936108,0,0,0,112.427736,108.8789,170.167128,172.514704,222.974208,167.9616,0,0,0,21.17952905,25.0799431,31.42574634,33.4264862,27.60624106,11.11532262,0,0,0,2609.942657,2165.197258,3771.33283,3569.628379,5281.462779,4622.941301,0,0,0,41.55555556,43.44444444,53.33333333,67.66666667,62,25,0,0,0,54.73408538,56.15943233,41.44933825,34.13326017,7.947954,1.016064,0,0,0,178.2461784,217.6633782,164.0473971,166.1999973,83.36678939,31.08374443,0,0,0,7.0267335,7.258593333,7.090297,7.188112667,6.967944,6.718464,0,0,0,1.323720566,1.671996207,1.309406097,1.392770258,0.862695033,0.444612905,0,0,0,163.121416,144.3464838,157.1388679,148.7345158,165.0457118,184.917652,0,0,0,2.597222222,2.896296296,2.222222222,2.819444444,1.9375,1,0,0,0,0.043717218,-0.009200838,0.011956837,-0.027175953,-0.033815446,0.036376791,0,0,0,453.9975338,-47.29140977,136.1992601,-378.3312781,-363.198027,425.6226879,0,0,0,844.2278004,-87.94039587,253.2683401,-703.523167,-675.3822403,791.4635629,0,0,0,0.088935,-0.009264062,0.0266805,-0.0741125,-0.071148,0.083376562,0,0,0,3.774091068,-0.393134486,1.13222732,-3.14507589,-3.019272855,3.538210376,0,0,0,20.50092258,-2.135512769,6.150276775,-17.08410215,-16.40073807,19.21961492,0,0,0,7.527777778,-3.404513889,3.263888889,-1.847222222,-7.027777778,5.251736111,0,0,0,0.002732326,-6.13E-04,4.98E-04,-0.001132331,-0.001056733,0.001455072,0,0,0,28.37484586,-3.152760651,5.674969172,-15.76380326,-11.34993834,17.02490752,0,0,0,52.76423752,-5.862693058,10.5528475,-29.31346529,-21.10569501,31.65854251,0,0,0,0.005558437,-6.18E-04,0.001111688,-0.003088021,-0.002223375,0.003335062,0,0,0,0.235880692,-0.026208966,0.047176138,-0.131044829,-0.094352277,0.141528415,0,0,0,1.281307661,-0.142367518,0.256261532,-0.71183759,-0.512523065,0.768784597,0,0,0,0.470486111,-0.226967593,0.13599537,-0.076967593,-0.219618056,0.210069444,0,0,0,-0.22449341,0.182336044,-0.414420288,-0.386752033,0.532539523,0,0,0,-0.111111111,0.2,-0.555555556,-0.4,0.6,0,0,0,-0.111111111,0.2,-0.555555556,-0.4,0.6,0,0,0,-0.111111111,0.2,-0.555555556,-0.4,0.6,0,0,0,-0.111111111,0.2,-0.555555556,-0.4,0.6,0,0,0,-0.111111111,0.2,-0.555555556,-0.4,0.6,0,0,0,-0.482410824,0.289052891,-0.163591636,-0.466789668,0.446494465,0,0,0,1.377154001,0.704630441,1.581273265,1.346527169,0.055685265,0,0,0,1.333333333,0.833333333,1.666666667,1.25,0,0,0,0,1.333333333,0.833333333,1.666666667,1.25,0,0,0,0,1.333333333,0.833333333,1.666666667,1.25,0,0,0,0,1.333333333,0.833333333,1.666666667,1.25,0,0,0,0,1.333333333,0.833333333,1.666666667,1.25,0,0,0,0,1.712177122,0.424354244,1.429889299,1.556734317,0,0,0,0,16.5764315,8.288215752,12.5025355,16.5764315,2.762738584,8.288899278,5.33E-15,9.99E-16,1.67E-16,-20.7237456,14.94438308,2.490730514,1.622601309,16.5764315,8.288215752,12.5025355,16.5764315,2.762738584,8.288899278,5.33E-15,9.99E-16,1.67E-16,-20.7237456,14.94438308,2.490730514,1.622601309,16.5764315,8.288215752,12.5025355,16.5764315,2.762738584,8.288899278,5.33E-15,9.99E-16,1.67E-16,-20.7237456,14.94438308,2.490730514,1.622601309,16.5764315,8.288215752,12.5025355,16.5764315,2.762738584,8.288899278,5.33E-15,9.99E-16,1.67E-16,-20.7237456,14.94438308,2.490730514,1.622601309,16.5764315,8.288215752,12.5025355,16.5764315,2.762738584,8.288899278,5.33E-15,9.99E-16,1.67E-16,-20.7237456,14.94438308,2.490730514,1.622601309,16.5764315,8.288215752,12.5025355,16.5764315,2.762738584,8.288899278,5.33E-15,9.99E-16,1.67E-16,-20.7237456,14.94438308,2.490730514,1.622601309,24.98306185,12.30634574,19.32115931,24.73614827,4.122691378,12.30635641,-0.37037037,2.22E-16,3.70E-17,-21.62619203,14.16027914,2.360046523,1.590264481,0,11.89,12.11007471,-0.157858911,0.062724554,5.888625,7.872973656,5,15,13,13,3,2,2,0,0,2,10.93207,3.578401688,2.895602712,2.23555508,2.212949331,0.919384442,0.083923071,0.083923071,0.083923071,1.857178796,1.476745966,1.131804982,1.088749103,0.048277875,0.083923071,0.083923071,0.083923071,3.594602166,2.933011784,2.305265655,2.280775724,1.010448691,0.270913902,0.270913902,0.270913902,1.810926156,1.391002997,1.018798055,0.977485712,0.157764507,0.270913902,0.270913902,0.270913902,3.670004833,3.102713921,2.596671519,2.564518586,1.376536215,0.943918427,0.943918427,0.943918427,1.685918207,1.137304539,0.651588094,0.618071174,0.558110648,0.943918427,0.943918427,0.943918427,3.606753205,2.960900533,2.355882635,2.330029629,1.075965391,0.399277246,0.399277246,0.399277246,1.782465735,1.336109857,0.943896579,0.903936883,0.233986643,0.399277246,0.399277246,0.399277246,3.709352464,3.187335675,2.728690949,2.693326823,1.531358408,1.207644823,1.207644823,1.207644823,1.650230441,1.059076599,0.525368616,0.495035576,0.710226205,1.207644823,1.207644823,1.207644823,3.583320607,3.023820308,2.41021635,2.409891945,1.026169371,0.45,0.45,0.45,1.828103927,1.334689052,0.881020991,0.785017277,0.175412665,0.45,0.45,0.45,0,0,2,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.666666667,0,0.333333333,0,0.353553391,0,0.125,0,1.333333333,0,0,0.603553391,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,4.414213562,1.957106781,1.560660172,0.728553391,0,0,0,0,0.73570226,0.391421356,0.260110029,0.182138348,0,0,0,0,8.709139019,15.43918427,14.62745098,14.8,9.992772455,121.8839701,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,1.99098,29.088,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,24,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,2,0,2,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.439814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.813194444,0,0,0,0,0.667361111,0,0.813194444,0,0,0,0,0,0,0,0,3.893518519,7.310185185,0,0,0,0,0,0,0,2.12962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.064814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0,0.333680556,0,0.406597222,0,0,0,0,0,0,0,0,1.946759259,3.655092593,0,0,0,0,0,0,0,1.064814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.655092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0,0.333680556,0,0.406597222,0,0,0,0,0,0,0,0,1.946759259,3.655092593,0,0,0,0,0,0,0,1.064814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,2.222222222,0.406597222,3.655092593,0.159722222,1.064814815,3.706361111,0.601851852,0.655092593,2.62037037,0.601851852,0.655092593,2.62037037,3,0.5,0,0,0.45,0.7,0.42,0.42,0.7,0.03,0.03,0,0,0.71429,0,0,0.66667,0.33333,0,5.5,0.91667,2.5,0.41667,3,0.5,0.5,0.08333,0,0,3.25381,0.5423,6.13075,2.87694,0.47949,1.39143,0.2319,2.64272,1.25129,0.20855,0.27128,0.04521,0.27128,0.04521,0,5,0,0,0,0,0,0,0.333333333,0.954434003,2.155639062,2.155639062,2.155639062,1.780639062,1.030639062,15.27094405,34.490225,34.490225,34.490225,28.490225,16.490225,0.238608501,0.538909766,0.538909766,0.538909766,0.445159766,0.257659766,3.045565997,1.844360938,1.844360938,1.844360938,2.219360938,2.969360938,0.233502796,0.527378265,0.527378265,0.527378265,0.435634312,0.252146405,6.794779896,14.53870385,14.53870385,14.53870385,10.03870385,1.038703846,23.34095565,18.68383437,18.68383437,18.68383437,14.18383437,5.183834373,6,2.222222222,3,6,4,4,2.12,0.868,2.289428485,0,5.656854249,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.123,0.112,0.159,0.31,2.508,6,4,0,0,0,0,0,0,0,21,2.079441542,2.397895273,2.302585093,0,0,0,0,0,0,0,3.496507561,1.523809524,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,3,0.6,0,2,3,0.5,2,0.888888889,0,0,0,0,0,0,0,0,0.4,0.148148148,0,0,0,0,0,0,0,0,0.548148148,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,0,107.0594491,3.584962501,3.135494216,3.761200116,4.465908119,5.141663557,5.837730447,6.52649486,7.220373837,7.912423121,8.605753368,63.60704164,2.397895273,0,3.555348061,0,4.875197323,0,6.244166901,0,7.626082758,7.917536354,82.07825032,5.129890645,10.52364588,1.75394098,0,0,0,29,4,2.74,22,1.2058,2.103140854,3.014169918,3.603055153,4.086345379,0,0,0,0,0,76.31606112,98.22315218,107.5028765,29.13964135,4.151988431,0,0,0,0,0,282.5498053,375.7344117,511.7481698,304.1668881,127.0189154,0,0,0,0,0,8.779927494,14.97813319,21.6809745,25.12397969,27.45396432,0,0,0,0,0,2.125102836,2.938803978,4.256606769,3.138658552,1.816841889,0,0,0,0,0,172.3399025,325.7715288,447.3908249,593.2276203,755.6373929,0,0,0,0,0,3.575459259,4.963228933,8.623080669,6.999027361,4.086345379,0,0,0,0,0,0.4399995,0.614205587,0.896685111,0.685052609,0.418441767,0,0,0,0,0,309.2662348,117.9708465,11.67110088,193.000374,-73.62076727,-12.47425795,116.2658608,191.5916138,24.14535883,0.615741181,0.234876945,0.023236864,0.384258819,-0.146577069,-0.024835929,155.334103,59.25281701,5.86200426,96.93764335,-36.97725312,-6.265403236,0.140902911,0.250435667,4.479216643,12.05794777,502.2666088,0,1,0,370.182533,19.2401282,7.180234712,467.902143,21.63104581,7.763394903,578.7138514,24.05647213,8.333382042,1.185939446,1.147822429,233.6393907,141.1662176,99.21487011,1.655065884,2.354882796,1.422833265,3.371434982,3.315270577,5.382426024,0.62352541,3.115673953,2.684985972,3.441076907,7.507174462,2.094273008,7.555355777,2.734866297,11.25484251,1.593055025,0.255055864,2.73E-17,5.73E-55,2.32E-114,1.81E-195,2.72E-298,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.261509045,2.212051727,0.194727875,3.832533686,0.041021319,1.331159649,0.312267608,0.315652638,0.011220026,0.001796379,1.92E-19,4.03E-57,1.63E-116,1.27E-197,1.92E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844104946,2.243654386,0.689947785,4.552383624,0.201951714,2.249533547,0.704846665,1.433357622,0.11692125,0.018719657,2.00E-18,4.20E-56,1.70E-115,1.33E-196,2.00E-299,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.94094402,2.633062025,3.183106863,7.271523838,1.877238155,7.049747539,2.550498858,10.19062636,1.419383353,0.227250183,2.43E-17,5.10E-55,2.06E-114,1.61E-195,2.42E-298,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.24403877,2.284628662,1.079613904,5.055511751,0.38908498,2.984519331,1.004603517,2.531758032,0.253968555,0.040661597,4.35E-18,9.13E-56,3.69E-115,2.88E-196,4.34E-299,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.762620247,2.903319109,4.463476085,8.391822335,3.001560842,9.568832443,3.45843673,15.64311148,2.323321005,0.371975007,3.98E-17,8.35E-55,3.38E-114,2.64E-195,3.97E-298,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.553916681,1.626787607,0.998101755,4.830441275,0.486803783,4.323247037,1.14230664,3.08540958,0.322593667,0.051648812,5.53E-18,1.16E-55,4.69E-115,3.66E-196,5.51E-299,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.692767283,1.888626776,0.209042269,0.562113156,0.394249427,0.579538551,0.468750744,0.25,4.790436327,6.043337398,11.89688586,0.434543874,1.298289295,1.678687938,1.167594706,0.041041971,0.581399102,0.404386365,0.238538616,0.206331718,0.009636697,2.887324614,2.076844197,5.044612188,0.478678201,0.454507031,2.051430463,1.445521745,0.104042352,0.56968441,0.401422918,0.343994447,0.296419398,0.061928721,3.60099456,3.329218476,7.23873891,0.456660993,0.702342566,2.664612229,1.869727616,0.204486295,0.562293731,0.394555014,0.56773341,0.460559977,0.239221496,4.738826141,5.909309427,11.66690655,0.435273118,1.267514882,2.230300227,1.572356922,0.133641904,0.566598268,0.399450575,0.402692237,0.341722711,0.10217793,3.936299053,4.015022343,8.419980568,0.449073266,0.846592878,2.781944145,1.948252569,0.223449926,0.561595194,0.393296638,0.617818546,0.495108356,0.285648678,4.953646639,6.476891931,12.64162149,0.432337748,1.398575581,2.652299043,1.880670126,0.203410926,0.559984416,0.397069088,0.56304857,0.468367042,0.236712037,4.736380094,5.91015503,11.66116908,0.435580257,1.268127649 +UMLS0091,L,"2,3-dimethyl-1,3-butadiene",CC(=C)C(=C)C,10566,,UML,[1],C6H10,PubChem,,15.8,0,2.7426,7.52185476,43.8018,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1921.920348,1903.721747,1032.131188,248.409504,18.289152,0,0,4184.657049,5188.491512,7083.005766,7704.005434,6156.908624,2997.771428,559.5073998,0,0,148.486212,153.276228,257.716848,281.441036,340.543696,329.671296,120.932352,0,0,30.43545486,38.46263172,54.17148079,60.51927787,55.4690298,33.38218473,8.003032287,0,0,3360.161029,2978.619777,5482.629357,5745.759462,7467.135254,8303.73542,3328.517736,0,0,44.33333333,54.22222222,76.77777778,89.33333333,94,66,18,0,0,62.40808843,68.74581643,53.38667633,48.81337813,21.50273308,5.175198,1.016064,0,0,199.2693833,247.0710244,196.7501602,197.5386009,128.2689297,62.45357141,31.08374443,0,0,7.070772,7.298868,7.158801333,7.216436821,7.094660333,6.868152,6.718464,0,0,1.449307374,1.831553891,1.504763355,1.551776356,1.155604788,0.695462182,0.444612905,0,0,160.0076681,141.839037,152.2952599,147.3271657,155.5653178,172.9944879,184.917652,0,0,2.111111111,2.582010582,2.132716049,2.290598291,1.958333333,1.375,1,0,0,0.040175925,0.001528222,0.003180759,-0.016421178,-0.036545608,0.00575496,0.022414883,0,0,622.6251891,4.19E-13,229.7783436,-291.5467156,-783.2229562,133.4196834,400.2590502,0,0,1157.798126,-1.14E-13,427.2826418,-542.1435671,-1456.436532,248.0995985,744.2987955,0,0,0.121968,1.86E-15,0.045012,-0.057112,-0.153428,0.026136,0.078408,0,0,5.175896322,9.60E-15,1.910152214,-2.423633992,-6.510948945,1.10912064,3.327361921,0,0,28.11555097,4.22E-14,10.37597714,-13.16521831,-35.367578,6.024760922,18.07428277,0,0,4.285714286,-1.015873016,1.811791383,-0.62585034,-5.034013605,0.108843537,2.612244898,0,0,0.001913139,7.28E-05,8.84E-05,-4.21E-04,-7.61E-04,1.20E-04,0.001245271,0,0,29.64881853,2.00E-14,6.382731767,-7.475556809,-16.31714492,2.779576737,22.2366139,0,0,55.13324411,-5.41E-15,11.86896227,-13.9011171,-30.34242775,5.168741635,41.34993308,0,0,0.005808,8.85E-17,0.001250333,-0.00146441,-0.003196417,5.44E-04,0.004356,0,0,0.246471253,4.57E-16,0.053059784,-0.062144461,-0.13564477,0.02310668,0.18485344,0,0,1.33883576,2.01E-15,0.288221587,-0.3375697,-0.736824542,0.125515853,1.00412682,0,0,0.204081633,-0.048374906,0.050327538,-0.016047445,-0.104875283,0.002267574,0.145124717,0,0,0.038038258,0.046182946,-0.220086355,-0.397967276,0.06266925,0.650904646,0,0,6.73E-16,0.215277778,-0.252136752,-0.550347222,0.09375,0.75,0,0,-9.82E-17,0.215277778,-0.252136752,-0.550347222,0.09375,0.75,0,0,1.52E-14,0.215277778,-0.252136752,-0.550347222,0.09375,0.75,0,0,1.86E-15,0.215277778,-0.252136752,-0.550347222,0.09375,0.75,0,0,1.50E-15,0.215277778,-0.252136752,-0.550347222,0.09375,0.75,0,0,-0.237037037,0.246604938,-0.078632479,-0.513888889,0.011111111,0.711111111,0,0,1.010128376,0.92975357,1.330977265,1.37188559,0.727926988,0.145392138,0,0,1.111111111,0.810185185,1.296296296,1.498842593,0.729166667,0,0,0,1.111111111,0.810185185,1.296296296,1.498842593,0.729166667,0,0,0,1.111111111,0.810185185,1.296296296,1.498842593,0.729166667,0,0,0,1.111111111,0.810185185,1.296296296,1.498842593,0.729166667,0,0,0,1.111111111,0.810185185,1.296296296,1.498842593,0.729166667,0,0,0,1.395061728,0.633744856,1.056980057,1.555555556,0.875,0,0,0,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,33.20712428,16.19341682,22.14275614,33.18490205,3.687211339,16.19341724,-0.066666667,8.89E-17,9.87E-18,-33.26341335,5000010.682,555556.7425,13.88245555,0,11.85,12.15009716,-0.20991491,0.090205492,6.23875,8.758384778,9,21,18,15,3,3,0,0,0,6,13.118484,3.837367081,2.978981869,2.895422064,2.505534111,2.024738679,1.747803013,0.758189562,0.441365589,2.009891347,1.493916978,1.412097968,1.300321342,0.783323018,0.504273083,0.182039807,0.083923071,3.847131707,3.0085188,2.924654716,2.56616622,2.082600027,1.811386711,0.882494449,0.545672476,1.980075811,1.412300855,1.328237853,1.199849988,0.682662645,0.411135567,0.028878977,0.270913902,3.892686795,3.149926772,3.064662777,2.822720652,2.324156623,2.066152029,1.384071661,0.963720007,1.902365083,1.180117151,1.094655717,0.87156837,0.369849397,0.112224304,0.526193268,0.943918427,3.854454913,3.030937363,2.946831905,2.610375339,2.124567978,1.856928308,0.97215515,0.621114151,1.962054508,1.360731895,1.2757869,1.132925399,0.617333107,0.350539445,0.077669619,0.399277246,3.916684571,3.224500232,3.138866256,2.940349198,2.434292052,2.176025562,1.59693027,1.207644823,1.880701512,1.11246322,1.027514451,0.759509312,0.264988018,0.005459046,0.734907754,1.133948601,3.838651519,3.055466305,2.993656732,2.688847821,2.193688616,1.880015497,1.071558134,0.657550841,1.971239809,1.3069968,1.20234035,1.040006601,0.540885432,0.325476185,0.1839803,0.529411765,0,0,0,3,3,3,0,0,0,0,0,0,0.068041382,0.204124145,0,0,0,0.024056261,0.072168784,0.663854611,0,0.272165527,0,0.413675135,0,0.144337567,0,1.733969088,1.979392051,2.190389772,0.994016936,0.968233513,0.904237747,6.853371151,4.215214055,3.744588185,3.114068787,1.848425766,1.072102901,0.526099421,0.136082763,0.761485683,0.468357117,0.312049015,0.222433485,0.142186597,0.089341908,0.07515706,0.068041382,6.232050808,3.244016936,2.516808827,1.875462792,0.897791891,0.42012099,0.19245009,0.048112522,0.69245009,0.360446326,0.209734069,0.133961628,0.069060915,0.035010083,0.02749287,0.024056261,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,1.77066,37.362,36.67290345,48.67889424,73.3458069,8.1495341,36.67290345,0.016616204,0.001846245,-3.687639223,421.5163183,46.83514647,5.439472642,63,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.56018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.201944444,0,0,0,0,1.201944444,0,0,0,0,0,0,0,0,6.439814815,0,0,0,0,6.377314815,0,0,0,0,4.18287037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.384259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0,0,0,0,0.396597222,0,0,0,0,0,0,0,0,2.141203704,0,0,0,0,2.094907407,0,0,0,0,1.384259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.141203704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40875,0,0,0,0,0.40875,0,0,0,0,0,0,0,0,2.157407407,0,0,0,0,2.141203704,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17,1.888888889,0.40875,2.157407407,0.131944444,1.384259259,5.525391204,0.282407407,0.157407407,1.634259259,0.282407407,0.157407407,1.634259259,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.33333,0.33333,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.86262,0.6514,10.4931,4.63048,0.5145,2.06158,0.22906,4.21519,2.15362,0.23929,0.19881,0.02209,0.28481,0.03165,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.128085279,2.390455517,2.652825755,3.236857303,3.332095399,20.68979086,44.68979086,50.19956586,55.70934087,67.97400337,69.97400337,0.224307135,0.484501705,0.544235602,0.6039695,0.736936107,0.758618988,3.407089287,2.264232144,2.001861906,1.739491667,1.155460119,1.060222024,0.214882485,0.464144533,0.521368608,0.578592683,0.70597247,0.726744308,6.75154531,15.36999611,18.51843897,20.22487205,21.86034747,20.909457,33.82580122,27.57483228,23.40077103,20.96590197,18.95755632,19.8604161,7.111111111,2.722222222,1.469387755,0,6,0,2.45,1.1391,0.908560296,2.9826782,5.181129588,0,2.381101578,4.585756412,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.1,0.505,0.68,4.372,12,14,13,12,7,2,0,0,0,78,2.564949357,3.157000421,3.630985476,3.986666548,4.342993404,3.944006051,2.784239339,0,0,0,5.619947865,3.524038462,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,4,0.333333333,2,1.555555556,0.6875,0.333333333,0,0,0,0,0,0,0.222222222,0.12962963,0.0625,0.083333333,0,0,0,0,0,0,0.497685185,18.64904007,25.47746719,37.29808014,4.144231127,18.6490401,3.10E-16,3.44E-17,-32.13980727,5000010.414,555556.7126,13.8824555,0,133.0544855,4.169925001,3.761200116,4.553876892,5.370638028,6.180016654,7.00033446,7.812378206,8.633552993,9.446123704,10.26747073,81.02559178,2.944438979,0,4.204692619,0,5.686975356,0,7.263329617,0,8.876125585,9.101863896,120.0939004,5.718757161,17.38253322,1.931392579,0,0,0,82,11,3.258,42,1.233300178,2.143629399,3.063002194,3.808373416,4.417137531,5.753812093,0,0,0,0,94.09564805,126.5087169,157.9266193,89.31497623,25.3200399,5.846241331,0,0,0,0,326.4685465,454.4984762,626.4631208,511.2230101,294.4239129,178.8500246,0,0,0,0,9.031490446,15.41305122,22.14189658,27.0767591,30.42612504,38.65677941,0,0,0,0,2.376896686,3.42021181,4.875732059,4.544322797,3.220350611,2.558219109,0,0,0,0,173.0750978,321.7322639,448.6912616,588.21507,757.0868878,1063.981422,0,0,0,0,3.280371767,4.776662573,7.164991882,7.631929236,6.295408236,5.753812093,0,0,0,0,0.489174207,0.709316992,1.015997098,0.968355347,0.710764932,0.589190358,0,0,0,0,254.4920433,110.8849962,9.44053182,77.6152718,-33.81783181,-3.902316437,176.8767715,144.702828,13.34284826,0.766294603,0.333883029,0.028426148,0.233705397,-0.101828024,-0.011750167,84.51866921,36.82571836,3.135269676,25.77659953,-11.23114932,-1.295987835,0.142361419,0.140564756,3.051697076,2.006939697,332.1073151,0,1,0,669.1530565,25.8679929,8.746651482,786.0344264,28.03630551,9.22884154,1158.124561,34.0312292,10.50151017,1.235244112,1.224160314,482.4556763,279.7379979,212.8332245,1.724669798,2.266825011,1.314353051,4.00314027,3.785389562,6.367568618,0.682143545,3.591901278,4.850430554,5.427785225,10.56066725,1.977932278,2.609761682,6.982469158,7.876717891,1.700725624,4.391223125,0.767629302,0.345905161,8.48E-18,4.01E-56,3.66E-116,6.45E-198,2.19E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,0.301552992,3.877877027,0.276499361,5.321234982,0.82780655,0.396421178,0.663107901,0.489602562,0.997041428,0.109068737,0.005406637,0.002436238,5.98E-20,2.83E-58,2.58E-118,4.54E-200,1.54E-303,0,0,0,0,0,0,0,0,0,0,0,0,0,0.973183225,3.942865295,1.009891843,6.073821689,0.92661062,0.819257222,1.950593857,1.692783718,1.135318736,0.523050257,0.056340061,0.025387482,6.23E-19,2.95E-57,2.69E-117,4.73E-199,1.61E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390468513,4.743652807,4.999895799,10.12780668,1.859423868,2.464019617,6.594742595,7.316695969,1.655750519,3.966305454,0.683943999,0.308195271,7.56E-18,3.58E-56,3.26E-116,5.74E-198,1.95E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,1.434236324,4.027125715,1.607791717,6.684540998,1.034806185,1.118117934,2.835134239,2.609197612,1.23183316,0.943848059,0.122377745,0.055145003,1.35E-18,6.40E-57,5.84E-117,1.03E-198,3.49E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,4.337716138,5.299416509,7.139838129,12.29064341,2.471327857,3.161009041,8.419022337,10.0726122,1.86940103,6.149311993,1.11951467,0.504470169,1.24E-17,5.85E-56,5.34E-116,9.40E-198,3.19E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,2.013495495,3.921882412,2.165315677,7.18895007,1.265050046,1.490571804,3.867392014,3.757069258,1.466937654,1.515632024,0.215149283,0.096949197,2.38E-18,1.13E-56,1.03E-116,1.81E-198,6.14E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,3.643898517,2.627863448,0.238927834,0.559679332,0.403622892,0.529869491,0.464723405,0.28569781,6.510689799,11.07416622,19.87274957,0.444953336,1.280290706,2.287925025,1.7951278,0.042087086,0.554629679,0.435167737,0.210232933,0.21810798,0.008864786,4.125139911,4.278961612,8.576958145,0.484696124,0.437205698,2.762095888,2.086774543,0.110960615,0.556893141,0.420735006,0.305249995,0.293812422,0.061618265,4.959831045,6.301905028,11.90129879,0.466442219,0.660680681,3.603007457,2.602790081,0.232995348,0.559578095,0.40423572,0.518080885,0.455933108,0.271686373,6.438792887,10.82379403,19.44758749,0.445720723,1.245700366,2.998430678,2.231898201,0.14526694,0.557785737,0.415190851,0.359355222,0.335780414,0.105610195,5.375595819,7.451985906,13.79973598,0.459464882,0.80074583,3.774908158,2.708187774,0.257934075,0.559989817,0.40174688,0.568536402,0.493452435,0.332959227,6.741030007,11.89537147,21.27330282,0.442605045,1.394948063,3.604454833,2.606457169,0.232695238,0.559384627,0.4045028,0.518511265,0.457232283,0.270986915,6.44360724,10.84010679,19.46985254,0.44583114,1.246730464 +UMLS0092,L,"1,2,3-trimethylbenzene",CC1=C(C(=CC=C1)C)C,10686,Sandia values from independent api report ,Sandia,,C9H12,PubChem,,-0.6,0,2.2271,4.95997441,48.2855,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2126.719909,2103.526668,1580.99492,718.458386,131.40288,6.096384,0,4670.34144,5841.481647,8080.20575,8804.055012,7755.436337,5307.58616,1974.740242,186.5024666,0,169.463656,175.052008,300.845524,364.481328,403.100576,378.012872,285.368832,40.310784,0,34.11358067,43.47862034,62.52810234,70.87464544,66.84090011,51.44133883,24.02519324,2.667677429,0,3856.790689,3411.659229,6375.036452,7779.467573,8994.286251,8788.273071,7512.180551,1109.505912,0,49.33333333,59.66666667,87.22222222,105,107.6666667,93.33333333,50,6,0,60.70275442,67.17251842,50.63618831,41.24562094,27.73675298,13.30478493,3.12864,1.016064,0,194.59756,243.3950686,192.3858512,172.6285296,136.0602866,98.28863259,47.0176248,31.08374443,0,7.060985667,7.293833667,7.162988667,7.146692706,7.07193993,7.00023837,6.794496,6.718464,0,1.421399194,1.811609181,1.488764342,1.38969893,1.17264737,0.952617386,0.572028411,0.444612905,0,160.6996121,142.1524679,151.7865822,152.5385799,157.7944956,162.7457976,178.8614417,184.917652,0,2.055555556,2.486111111,2.076719577,2.058823529,1.888888889,1.728395062,1.19047619,1,0,0.049361269,-0.003783465,-0.002323667,-0.010150859,-0.017188365,-0.020549315,0.020589208,0.008725828,0,706.2183858,-7.82E-14,136.1992601,-199.2544731,-355.6314014,-539.7526235,479.219619,126.110426,0,1313.243245,1.85E-13,253.2683401,-370.5222013,-661.311777,-1003.693052,891.1293449,234.5077223,0,0.138343333,2.23E-15,0.0266805,-0.039032583,-0.06966575,-0.105733833,0.093875833,0.024704167,0,5.870808328,1.37E-14,1.13222732,-1.656406635,-2.956371337,-4.486974937,3.983762794,1.04835863,0,31.89032402,-1.08E-13,6.150276775,-8.997627133,-16.05905602,-24.37331907,21.63986273,5.694700717,0,4.87037037,-1.12962963,1.699074074,-1.053240741,-0.881944444,-4.439814815,2.587962963,0.782407407,0,0.00205672,-1.58E-04,-5.53E-05,-1.99E-04,-3.02E-04,-3.81E-04,4.90E-04,0.001454305,0,29.42576608,-3.26E-15,3.242839527,-3.906950454,-6.239147394,-9.995418953,11.40999093,21.01840434,0,54.71846854,7.70E-15,6.030198574,-7.265141202,-11.601961,-18.58690836,21.21736535,39.08462039,0,0.005764306,9.28E-17,6.35E-04,-7.65E-04,-0.001222206,-0.001958034,0.002235139,0.004117361,0,0.244617014,5.71E-16,0.026957793,-0.032478561,-0.051866164,-0.083092128,0.094851495,0.174726438,0,1.328763501,-4.51E-15,0.146435161,-0.176424061,-0.281737825,-0.451357761,0.515234827,0.949116786,0,0.202932099,-0.047067901,0.040454145,-0.020651779,-0.01547271,-0.082218793,0.061618166,0.130401235,0,-0.076648445,-0.026899835,-0.096773744,-0.146617107,-0.185024188,0.238350069,0.707099171,0,-1.11E-16,0.110204082,-0.132773109,-0.212030075,-0.33968254,0.387755102,0.714285714,0,1.41E-16,0.110204082,-0.132773109,-0.212030075,-0.33968254,0.387755102,0.714285714,0,1.61E-14,0.110204082,-0.132773109,-0.212030075,-0.33968254,0.387755102,0.714285714,0,2.34E-15,0.110204082,-0.132773109,-0.212030075,-0.33968254,0.387755102,0.714285714,0,-3.40E-15,0.110204082,-0.132773109,-0.212030075,-0.33968254,0.387755102,0.714285714,0,-0.231939163,0.19934818,-0.101766943,-0.076245747,-0.405154204,0.303639326,0.642585551,0,1.16725437,0.933765831,1.123295804,1.097586412,1.200757206,0.524624741,0.340348408,0,1.15,0.93877551,1.159663866,1.17593985,1.241269841,0.375510204,0,0,1.15,0.93877551,1.159663866,1.17593985,1.241269841,0.375510204,0,0,1.15,0.93877551,1.159663866,1.17593985,1.241269841,0.375510204,0,0,1.15,0.93877551,1.159663866,1.17593985,1.241269841,0.375510204,0,0,1.15,0.93877551,1.159663866,1.17593985,1.241269841,0.375510204,0,0,1.421102662,0.712112982,1.07000671,1.058635181,1.44782425,0.449755568,0,0,38.28797683,19.14398841,27.35727793,38.28797683,3.828797683,19.14398844,7.11E-15,0.230446684,0.023044668,-1.467735751,100.5565113,10.05565113,4.610719871,38.28797683,19.14398841,27.35727793,38.28797683,3.828797683,19.14398844,7.11E-15,0.230446684,0.023044668,-1.467735751,100.5565113,10.05565113,4.610719871,38.28797683,19.14398841,27.35727793,38.28797683,3.828797683,19.14398844,7.11E-15,0.230446684,0.023044668,-1.467735751,100.5565113,10.05565113,4.610719871,38.28797683,19.14398841,27.35727793,38.28797683,3.828797683,19.14398844,7.11E-15,0.230446684,0.023044668,-1.467735751,100.5565113,10.05565113,4.610719871,38.28797683,19.14398841,27.35727793,38.28797683,3.828797683,19.14398844,7.11E-15,0.230446684,0.023044668,-1.467735751,100.5565113,10.05565113,4.610719871,38.28797683,19.14398841,27.35727793,38.28797683,3.828797683,19.14398844,7.11E-15,0.230446684,0.023044668,-1.467735751,100.5565113,10.05565113,4.610719871,47.69852692,23.51340887,34.9854788,47.60342113,4.760342113,23.51340887,-0.173333333,0.371916395,0.03719164,-0.989086194,47.10362226,4.710362226,3.852349904,0,11.89,12.11015511,-0.151531181,0.071757339,6.228245782,9.387130939,10,24,21,18,4,3,0,0,0,6,15.304898,3.82998424,3.21836674,2.869050417,2.511352721,2.333552793,2.040375571,1.225125403,0.758294751,2.013063287,1.681708048,1.412025077,1.249629723,1.014447498,0.767795719,0.438467017,0.23948207,3.84052816,3.248033876,2.900795774,2.5423055,2.405454588,2.097477069,1.321860205,0.883173386,1.981756688,1.612633163,1.327749955,1.134540686,0.935883133,0.672878267,0.291394492,0.071848869,3.889355384,3.38254711,3.051944454,2.704236987,2.684032506,2.332624182,1.725237538,1.397533545,1.899659651,1.410008959,1.084016631,0.76031856,0.713371865,0.376488385,0.199646279,0.509857251,3.848416746,3.270137692,2.924852053,2.5654187,2.457539916,2.138716694,1.392220797,0.974416439,1.962798063,1.568576208,1.274104532,1.058262671,0.886514595,0.611322356,0.192880161,0.041939747,3.914866816,3.449784754,3.131021875,2.838982085,2.756178364,2.438038884,1.905120094,1.617555831,1.8765634,1.347937115,1.012042737,0.647281227,0.631337262,0.275532993,0.372845349,0.725023361,3.847260644,3.264110794,2.981016428,2.627119052,2.556211565,2.192360498,1.420284965,1.088178051,1.97125681,1.543992227,1.190692897,0.949068708,0.809651615,0.554773075,0.125210997,0.169158608,0,0,0,4,2,3,0,1,0,0,0,0,0.083333333,0.131445856,0,0,0,0.027777778,0.043815285,0.705118357,0,0.232307808,0,0.516346035,0,0.131445856,0,1.498266827,2.174558379,2.133706448,0.907229279,1.173575314,0.956493242,7.560477932,4.715214055,4.169612481,3.034129906,2.335345682,1.341715763,0.565641142,0.240562612,0.756047793,0.471521406,0.320739422,0.202275327,0.145959105,0.09583684,0.070705143,0.048112522,6.886751346,3.770725942,3.011288554,1.810469848,1.234579548,0.537523693,0.207336156,0.080187537,0.688675135,0.377072594,0.231637581,0.12069799,0.077161222,0.03839455,0.025917019,0.016037507,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.83802,44.171,42.48714605,61.07011492,84.9742921,8.49742921,42.48714605,0.127985704,0.01279857,-2.055836709,60.63342718,6.063342718,4.104846345,76,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,4,0,0,0,0,0,0,0,0,3,0,0,0,0,4,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.40166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.576805556,0,0.93125,0,0,1.576805556,0,0,0,0,0,0,0,0,6.611111111,0,0,0,0,8.540555556,0.653888889,0,0,0,2.861111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.400462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375347222,0,0.285972222,0,0,0.375347222,0,0,0,0,0,0,0,0,2.162037037,0,0,0,0,2.084537037,0.653888889,0,0,0,1.400462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.194444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.410486111,0,0.359305556,0,0,0.410486111,0,0,0,0,0,0,0,0,2.224537037,0,0,0,0,2.194444444,0.653888889,0,0,0,1.460648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.66666667,1.866666667,0.410486111,2.224537037,0.104166667,0.653888889,6.259751111,0.679444444,0.224537037,2.303333333,0.679444444,0.224537037,2.303333333,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.3,0.3,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.21256,0.72126,12.12199,4.90943,0.49094,2.70236,0.27024,4.71519,2.01283,0.20128,0.19881,0.01988,0.28481,0.02848,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.367492461,3.15726823,3.323934896,3.355388542,3.490601563,23.51685016,56.81981907,75.77443751,79.77443751,80.52932501,83.77443751,0.213713581,0.516360267,0.688613752,0.724964467,0.731824642,0.761315182,3.605093744,2.21747004,1.427694271,1.261027604,1.229573959,1.094360938,0.206076118,0.497907145,0.664004822,0.699056475,0.705671489,0.734108128,6.772325919,17.88939319,21.43339272,21.60136356,22.54907792,22.68534898,37.92632204,26.78820795,21.37919844,20.85087761,19.75025104,19.34298282,8.1,3.408284024,1.991111111,2,6,0,2.56,1.28,0.944940787,3.37055691,4.952890873,0,3.965406457,5.553157574,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.147,0.132,0.49,0.657,4.666,13,15,16,14,8,5,2,0,0,93,2.63905733,3.157000421,3.630985476,4.040855877,4.385925275,3.944006051,3.662760043,2.784239339,0,0,5.775230663,3.453965054,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,5,0.666666667,2,1.333333333,0.875,0.302222222,0.125,0,0,0,0,0,0.2,0.102564103,0.072916667,0.037777778,0.0625,0,0,0,0,0,0.475758547,23.44376108,33.38613185,46.88752215,4.688752215,23.44376108,0.051500103,0.00515001,-2.966171475,58.6263138,5.86263138,4.071183637,0,150.3504702,4.321928095,3.850147602,4.634728988,5.459585514,6.263398263,7.090909822,7.899153483,8.726643416,9.536112711,10.36334614,83.82402594,3.044522438,0,4.290459441,0,5.752572639,0,7.311218384,0,8.912069098,9.141311786,134.1095504,5.587897935,19.38481891,1.938481891,0,0,0,114,12,3.834,46,1.235929323,2.155196633,3.001032187,3.734303883,4.414944946,5.089061907,6.244540072,0,0,0,92.76161773,120.091917,131.3250453,113.8264564,63.01894725,16.59593432,6.344852363,0,0,0,323.5789178,444.2771023,539.7713069,536.4661482,453.1684739,244.3598682,194.1036877,0,0,0,9.045833162,15.49815552,21.49728236,26.46946657,30.97750671,34.60187145,41.95371767,0,0,0,2.362509317,3.384479643,4.303497173,4.549477456,4.344471923,2.951744392,2.776403101,0,0,0,173.7497847,322.8773084,454.180654,584.9412366,712.9309298,908.3045026,1154.725688,0,0,0,3.153935111,4.653982839,6.316794967,7.255696453,7.817424495,6.119185159,6.244540072,0,0,0,0.486472119,0.70331228,0.901320242,0.963527952,0.937937175,0.662864899,0.639440903,0,0,0,288.0069464,145.8803282,10.68817394,82.48981278,-41.7824678,-4.621508546,205.5171336,187.662796,15.30968248,0.777353484,0.393742522,0.028848225,0.222646516,-0.112774179,-0.012473816,106.7056403,54.04818884,3.959933806,30.5622083,-15.48026891,-1.712253939,0.122494752,0.12140435,1.669258242,2.099901705,370.4967592,0,1,0,729.0594248,27.00110044,9.00024454,865.5271791,29.41984329,9.530014688,1306.903602,36.15112172,10.93321407,1.146561949,1.027904209,573.6406231,441.2355832,237.6830892,1.300077883,2.413468392,1.85640293,4.284907952,3.821429894,6.697982109,0.752742375,4.231360714,4.769015911,5.158656314,12.1884832,5.280115584,8.678472642,10.39327363,7.52718985,5.12461793,5.479156496,4.792232927,1.500183901,2.34E-04,1.53E-28,2.64E-74,9.79E-142,7.28E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0.355218392,4.76882933,0.29002458,6.622765441,1.08731872,1.67476629,1.606379464,1.015637174,1.426626111,0.311937843,0.185088443,0.010565918,1.65E-06,1.08E-30,1.86E-76,6.90E-144,5.13E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,1.146421676,4.768842253,1.029758141,7.467270343,1.496291762,2.618788949,2.999711193,2.040010436,2.044959935,1.104422184,0.740535147,0.110105011,1.72E-05,1.13E-29,1.94E-75,7.19E-143,5.34E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,3.994066058,4.768995587,4.770724873,11.74460376,4.865349111,8.077927534,9.713747288,7.020738507,4.849938523,5.070045889,4.373997314,1.336636847,2.09E-04,1.37E-28,2.35E-74,8.72E-142,6.49E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,1.689557927,4.768858595,1.612997111,8.133571657,1.909722754,3.41101059,4.075035431,2.833704116,2.509957924,1.726306821,1.236137371,0.239162796,3.74E-05,2.45E-29,4.21E-75,1.56E-142,1.16E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,5.109956015,4.769101268,6.697040746,13.94908831,6.995304441,11.09706781,13.07002882,9.524771316,6.196462944,7.099250456,6.495404137,2.18787723,3.42E-04,2.24E-28,3.85E-74,1.43E-141,1.06E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,2.375404451,3.967084936,2.21135274,8.651488062,2.633119554,4.360059628,5.539741866,3.875474009,3.326698638,2.585822308,1.940254259,0.430537472,6.73E-05,4.40E-29,7.58E-75,2.81E-142,2.09E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,3.835503013,2.250733,0.813722362,0.555873355,0.326195156,0.523845997,0.440728567,0.314294494,6.899958375,13.58519955,27.50977343,0.333810033,1.278869057,3.005573353,1.384808931,0.392452554,0.628408351,0.289537268,0.3187807,0.167627528,0.072999036,4.782834838,5.885161564,12.30144077,0.442612526,0.559407265,3.295979152,1.696726024,0.542087584,0.595501818,0.306556379,0.383746717,0.25191636,0.139361344,5.53479276,8.298857088,16.86520614,0.393252727,0.775024421,3.810494092,2.225765635,0.80130894,0.557287872,0.325520041,0.51675659,0.431215612,0.304767658,6.837568667,13.31817569,26.95185926,0.335931808,1.25273986,3.440624429,1.848466528,0.615713944,0.582682152,0.313044471,0.418742815,0.298823841,0.17983524,5.9048049,9.616446143,19.43711728,0.374023229,0.897401897,3.915620466,2.330264537,0.853376529,0.551553207,0.328240413,0.546966302,0.471620683,0.345711355,7.099261532,14.45452317,29.3403604,0.327329811,1.364298339,3.815868394,2.228847537,0.801997656,0.557328468,0.325535384,0.518153909,0.432460526,0.30529684,6.846713587,13.35283688,27.02053161,0.335992702,1.255911275 +UMLS0093,L,o-cymene,CC1=CC=CC=C1C(C)C,10703,"""O-CYMENE""; RON uses equivlaent mL TEL (+0.6); RON from [14]","Sandia, UML","[1], [14]",C10H14,PubChem,,4.6,0,0.2532,0.06411024,26.5582,13.602758,5,5,12,6,6,0,5,0,1,0,0,0,0,0,0,0,983.38499,1034.02699,1269.580339,468.052034,100.92096,6.096384,0,0,0,2520.477752,2987.946309,3695.413908,2237.162376,1042.227909,186.5024666,0,0,0,91.36508,92.935624,146.831332,132.814856,83.814912,40.310784,0,0,0,17.25538143,20.51554586,25.95058118,18.04922022,10.6868061,2.667677429,0,0,0,1928.928978,1732.599367,2932.125024,2774.325781,1964.65099,1109.505912,0,0,0,37.02777778,39.5,56.83333333,42.83333333,20,6,0,0,0,81.94874917,86.16891583,66.82001784,27.53247259,8.41008,1.016064,0,0,0,210.0398127,248.9955258,194.4954688,131.5977869,86.85232572,31.08374443,0,0,0,7.613756667,7.744635333,7.727964842,7.812638588,6.984576,6.718464,0,0,0,1.437948452,1.709628822,1.365820062,1.061718836,0.890567175,0.444612905,0,0,0,160.7440815,144.3832806,154.3223697,163.1956342,163.7209158,184.917652,0,0,0,3.085648148,3.291666667,2.99122807,2.519607843,1.666666667,1,0,0,0,0.13076113,-0.038132058,0.005446471,-0.05619803,0.009716717,0.013786335,0,0,0,421.6567897,20.61463667,56.31689369,-386.8475844,-105.114009,204.2016682,0,0,0,618.8957781,-46.90292984,-9.36533622,-296.6624024,-251.6114952,295.0942746,0,0,0,0.966738667,0.001210667,-0.066887556,-0.649135111,0.0916,0.139842667,0,0,0,2.839127845,-0.498177171,-0.480647602,-0.312476229,-1.233900177,1.105637256,0,0,0,15.98371771,-3.219627084,-3.427960758,-0.17863661,-6.841249486,5.675615081,0,0,0,6.414351852,-0.164351852,1.485146605,-6.17033179,-0.497685185,2.140046296,0,0,0,0.010896761,-0.003177672,2.87E-04,-0.003305766,8.10E-04,0.002297723,0,0,0,35.13806581,1.717886389,2.964047037,-22.75574026,-8.75950075,34.03361136,0,0,0,51.57464817,-3.908577487,-0.492912433,-17.45072955,-20.9676246,49.18237911,0,0,0,0.080561556,1.01E-04,-0.003520398,-0.038184418,0.007633333,0.023307111,0,0,0,0.236593987,-0.041514764,-0.025297242,-0.018380955,-0.102825015,0.184272876,0,0,0,1.331976476,-0.268302257,-0.180418987,-0.010508036,-0.570104124,0.945935847,0,0,0,0.534529321,-0.013695988,0.078165611,-0.362960694,-0.041473765,0.356674383,0,0,0,-0.291616156,0.026306568,-0.303371482,0.074308911,0.210862893,0,0,0,0.048889612,0.084354303,-0.647609359,-0.249288074,0.968568149,0,0,0,-0.07578486,-0.009557262,-0.338358674,-0.406549057,0.953615407,0,0,0,0.001252321,-0.043698233,-0.473978165,0.094751563,0.289308107,0,0,0,-0.175468383,-0.106922591,-0.077689864,-0.434605359,0.77885697,0,0,0,-0.201431678,-0.135452082,-0.007889055,-0.428013658,0.710174589,0,0,0,-0.025622519,0.146232597,-0.679028594,-0.077589318,0.667268134,0,0,0,1.146692212,1.063598847,1.759222244,0.12725099,0.099587558,0,0,0,0.824154459,0.851944842,1.60528963,1.052772564,0,0,0,0,1.051353655,0.929751753,1.159599011,1.333774138,0,0,0,0,0.849223989,1.135140606,1.950719654,0.089950542,0,0,0,0,1.218087257,1.053227625,0.927902897,1.299773233,0,0,0,0,1.259390748,1.094105271,0.885293303,1.254110394,0,0,0,0,0.845543125,0.857452183,1.92366315,0.571634789,0,0,0,0,11.9344319,6.092215949,8.98742964,12.10109856,2.016849761,6.0997373,0.25,0.207389524,0.034564921,-0.943893898,31.08972269,5.181620449,2.062126383,11.93772565,6.093495614,8.989344451,12.1039027,2.017317117,6.101005268,0.249265579,0.207354182,0.03455903,-0.943996153,31.08008231,5.180013719,2.061940304,14.95667893,7.278842226,10.94020731,14.69068261,2.448447102,7.280860386,-0.398994478,0.134832607,0.022472101,-1.202232731,33.05327481,5.508879136,2.098872389,11.94118282,6.094838808,8.991354926,12.10684602,2.017807669,6.102336206,0.2484948,0.207316875,0.034552812,-0.944104116,31.06999498,5.178332497,2.061745537,18.4417609,8.619548517,13.35985293,18.08099615,3.013499358,8.620092174,-1.082294264,0.051027989,0.008504665,-1.785228598,39.89819986,6.649699977,2.211798724,12.28092651,6.227030347,9.192134054,12.3963493,2.066058216,6.23342731,0.173134186,0.202671696,0.033778616,-0.957700723,30.22958778,5.038264631,2.045292704,11.90905551,6.124177417,9.152395271,12.10803737,2.018006229,6.131945726,0.420952381,0.272440121,0.045406687,-0.780201857,31.27198347,5.211997245,2.06563356,0,11.99396609,16.00053994,-0.37551425,0.099425025,5.210491676,6.385509446,6,12,10,7,1,2,0,0,0,5,8.475242,3.783532538,2.68884802,2.182725145,1.760319801,0.625528101,0.083923071,0.083923071,0.028525283,1.667799055,1.481507542,0.973790137,0.278660897,0.028525283,0.083923071,0.083923071,0.625528101,3.700290568,2.731133987,2.078391988,1.710144953,0.735407589,0.270913902,0.270913902,0.057857965,1.639472608,1.502066204,0.951829173,0.121404353,0.057857965,0.270913902,0.270913902,0.735407589,3.837137829,2.926569425,2.346025977,2.029465299,1.292539845,0.943918427,0.943918427,0.598599223,1.483756566,1.287103428,0.588778357,0.435637242,0.598599223,0.943918427,0.943918427,1.292539845,3.68226873,2.7628743,2.080419221,1.694935698,0.821239756,0.399277246,0.399277246,0.112270177,1.637418116,1.505862382,0.915796179,0.017582702,0.112270177,0.399277246,0.399277246,0.821239756,3.841448047,3.023097865,2.407117466,2.107327063,1.499648238,1.207644823,1.207644823,0.745538217,1.45076608,1.270221059,0.494214851,0.630990458,0.745538217,1.207644823,1.207644823,1.499648238,3.899891827,2.804858891,2.412617416,1.928661723,0.977414788,0.517241379,0.517241379,0.348871341,1.562757103,1.304659254,0.723500314,0.09791103,0.348871341,0.517241379,0.517241379,0.977414788,0,0,1,3,0,1,0,0,0,0,0,0.144337567,0.144337567,0,0,0,0.03928371,0.03928371,0,0.288675135,0,0,0,0.11785113,0,0,0,0.40824829,0.433012702,0,0.136082763,0.11785113,0,4.405777394,2.89384685,2.389628766,1.64384685,1.129936127,0.288675135,0,0,0.734296232,0.482307808,0.341375538,0.234835264,0.161419447,0.144337567,0,0,3.640299098,1.895168207,1.22370106,0.663434407,0.360684977,0.07856742,0,0,0.606716516,0.315861368,0.174814437,0.094776344,0.051526425,0.03928371,0,0,7.340282516,11.99417334,11.5254902,11.68,7.875902994,90.72467545,0.61169021,0.999514445,0.960457516,0.973333333,0.65632525,7.560389621,1.28842,24.777,18.09925825,25.29161865,36.19851651,6.033086084,18.09925827,0.064833572,0.010805595,-1.641559038,30.97618464,5.16269744,2.059931203,29,0,0,1,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,1,0,0,0,0,3,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,6.416666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.645138889,0,0,0,0,1.645138889,0,0,0,0,0,0,0,0,1.916666667,0,0,0,0,5.449074074,0,0,0,0,0.967592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,0.967592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.505555556,0,0,0,0,0.505555556,0,0,0,0,0,0,0,0,1.916666667,0,0,0,0,1.662037037,0,0,0,0,0.967592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,1.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.621875,0,0,0,0,0.621875,0,0,0,0,0,0,0,0,1.916666667,0,0,0,0,1.916666667,0,0,0,0,0.967592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.16666667,2.194444444,0.621875,4.833333333,0.347222222,0.967592593,2.650791667,0.699074074,1.333333333,2.666666667,0.699074074,1.333333333,2.666666667,2.83333,0.47222,0,0.02778,0.56389,0.82778,0.43333,0.49792,0.82778,0.13056,0.06597,-0.06458,0,0.57047,0.14382,0,0.17647,0.17647,0,8.5,1.41667,3.5,0.58333,5,0.83333,1.5,0.25,0,0,2.05222,0.34204,5.2306,3.17838,0.52973,1.07475,0.17913,2.89384,1.81909,0.30318,0.02016,0.00336,0.10616,0.01769,0.416666667,6.01,0,1,1,1,0,0,0.2,1.325011211,2.625814584,3.022055209,3.188721876,3.188721876,3.188721876,15.90013453,31.509775,36.26466251,38.26466251,38.26466251,38.26466251,0.36960253,0.732452455,0.842980982,0.889471473,0.889471473,0.889471473,2.25995129,0.959147917,0.562907292,0.396240625,0.396240625,0.396240625,0.343446796,0.680618849,0.783325582,0.826526071,0.826526071,0.826526071,11.5975153,21.7110683,23.94243868,24.11040952,24.11040952,24.11040952,21.17790507,15.93734375,14.01278229,13.74862188,13.74862188,13.74862188,4.166666667,1.632653061,0.979591837,0,5,0,1.9,0.6772,0,1.144714243,1,0,2.381101578,1.889881575,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.158,0.16,0.453,0.403,2.539,7,7,7,2,0,0,0,0,0,35,2.251291799,2.724579503,3.107944264,3.49839971,2.409194828,0,0,0,0,0,4.535954075,2.6375,0.333333333,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0.166666667,0,2,3,0.5,1,0.444444444,0.222222222,0,0,0,0,0,0,0,0.166666667,0.063492063,0.111111111,0,0,0,0,0,0,0,0.341269841,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,13.14,75.29723243,3.584962501,3.295836866,4.007333185,4.762173935,5.493061443,6.251903883,6.989335266,7.747164967,8.487764381,9.243871855,68.27844578,2.564949357,0,3.713572067,2.397895273,5.017279837,4.442651256,6.385194399,6.224558429,7.788626066,8.245646901,82.04186481,6.836822068,11.57549817,1.929249695,2.891111036,2.891111036,0,26,2,0.945,26,1.370381855,2.371901411,3.286196527,4.134134625,5.246076717,0,0,0,0,0,138.7523037,171.1951078,100.425399,37.27195022,5.330349694,0,0,0,0,0,373.6515405,484.8812011,458.4584775,377.9419469,163.067708,0,0,0,0,0,10.83870652,18.58949668,25.70947856,28.96528061,35.24557757,0,0,0,0,0,2.464694217,3.337791012,3.641646928,3.832720697,2.332473408,0,0,0,0,0,196.2022049,363.7355147,532.8387352,669.6672827,970.0921889,0,0,0,0,0,4.969348637,7.51369883,8.448927893,7.11595171,5.246076717,0,0,0,0,0,0.567871389,0.794885449,0.855521365,0.833633417,0.537198256,0,0,0,0,0,228.8625377,93.79169287,11.52110858,80.88144824,-33.14656924,-11.86193054,147.9810895,126.9382621,23.38303911,0.738876453,0.302803919,0.037195584,0.261123547,-0.107012794,-0.038295919,70.88879467,29.0514128,3.568594093,25.05254217,-10.26695048,-3.674161646,0.218577258,0.78602457,6.706667409,25.16083817,277.7337421,32.01024387,0.896655802,0.103344198,393.8796371,19.84640111,7.330290335,452.6387904,21.27530941,7.678043881,589.1615695,24.27265065,8.383231711,2.452849609,2.452849609,233.1792849,162.0582266,84.27027026,1.438861142,2.767040905,1.923077095,3.356922971,3.576117647,5.700263739,0.593981044,1.91841112,1.811314174,2.986467768,4.656983357,2.320014262,3.597601999,1.639535091,3.211944976,0.689365218,0.133673494,1.31E-04,1.67E-28,4.31E-74,2.14E-141,2.05E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.161029016,1.990877972,1.166127321,4.217549815,1.448157862,0.172665264,0.999601856,0.164681003,0.048766236,9.41E-04,9.24E-07,1.18E-30,3.03E-76,1.51E-143,1.44E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.519748159,1.656965984,1.431445914,3.549250594,1.05714806,0.551837955,1.077861531,0.600715662,0.163411308,0.009810881,9.63E-06,1.23E-29,3.16E-75,1.57E-142,1.50E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.810825453,1.990193343,2.914956441,5.049426982,2.638058141,3.481708503,1.763816627,2.959601206,0.644447311,0.119100678,1.17E-04,1.49E-28,3.84E-74,1.90E-141,1.82E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765997609,1.530076555,1.649121069,3.35035841,0.966422428,0.854649296,1.100992383,0.95526017,0.246896385,0.021310542,2.09E-05,2.67E-29,6.86E-75,3.41E-142,3.26E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.316752448,1.924618238,3.480216599,5.163800587,2.853280506,4.974776825,1.921066674,4.220962804,0.862148945,0.194950225,1.91E-04,2.44E-28,6.28E-74,3.12E-141,2.98E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.026510044,2.018087197,2.107933855,5.372263825,2.657944817,1.619844512,1.583500967,1.353677906,0.337239926,0.035762829,3.51E-05,4.48E-29,1.15E-74,5.72E-142,5.47E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.319235744,1.336761723,0.199707617,0.683574411,0.27529714,0.606408763,0.569129204,0.331713964,4.855705083,5.366865449,11.10867868,0.525361617,1.507251931,1.944474304,1.039099155,0.090106229,0.632620996,0.338063579,0.206312254,0.363157205,0.050500134,3.073679689,2.28934016,5.545079628,0.456026861,0.619969593,2.548309753,1.018886805,0.121085523,0.690920514,0.276249696,0.355986909,0.333039631,0.118046605,3.688282081,3.028375044,7.031048322,0.536380772,0.807073145,3.185349978,1.352722551,0.202458699,0.671939457,0.285352524,0.558402128,0.583965383,0.335951434,4.740531228,5.227667009,10.84057146,0.507909185,1.478318945,2.847152138,1.053505584,0.132641956,0.705911379,0.261201911,0.444970902,0.353893716,0.147167157,4.033299678,3.516881545,7.948039532,0.558867069,0.946031775,3.407466219,1.39629932,0.213809466,0.679106185,0.278281704,0.639404029,0.620771851,0.379576859,5.017575006,5.784933311,11.81978014,0.518659277,1.639752739,3.247600804,1.33215149,0.198187187,0.679707396,0.278812969,0.580397496,0.565555323,0.325334362,4.777939482,5.233944477,10.86930044,0.519561094,1.471287181 +UMLS0094,L,2-methylfuran,CC1=CC=CO1,10797,Sandia values and co-optima values are from co-optima api report therefore we should go with UML values ,"Sandia, UML",[6],C5H6O,PubChem,,17,0,0.4575,0.20930625,49.2346,30.028688,6,6,27,11,16,0,11,0,0,0,0,0,0,0,0,0,1603.162355,1780.618739,2089.387452,1840.314346,1371.200719,1152.261942,955.505213,648.773499,289.634857,5156.02583,6494.471781,8627.150907,8475.846502,6861.085948,5686.981859,4680.183514,3531.910628,2058.624615,190.4411,196.827788,343.926768,443.85796,399.883516,336.20028,273.31538,210.805932,166.456036,37.79170648,48.49460896,68.87187532,72.19035752,60.48302459,50.12363292,41.10210406,31.74308232,20.37324227,4353.420349,3844.69868,7256.509721,10082.93088,9243.180173,7827.815227,6348.860072,4832.6429,4030.154205,51.77777778,62.91666667,94.83333333,107.25,92,77.66666667,65.5,53.5,37.5,59.37638352,65.94884219,43.52890525,29.21133883,24.05615296,24.00545712,24.50013367,21.6257833,12.06811904,190.9639196,240.5359919,179.7323106,134.5372461,120.3699289,118.4787887,120.0047055,117.7303543,85.77602562,7.053374074,7.289918074,7.165141,7.045364444,7.015500281,7.0041725,7.008086667,7.0268644,6.935668167,1.399692833,1.796096628,1.434830736,1.145878691,1.061105695,1.044242352,1.053900104,1.058102744,0.848885095,161.2377907,142.3962474,151.1772859,160.046522,162.1610557,163.0794839,162.7912839,161.0880967,167.9230919,1.917695473,2.330246914,1.975694444,1.702380952,1.614035088,1.618055556,1.679487179,1.783333333,1.5625,0.060763864,-0.001064271,-0.023784825,-0.011953727,-0.004340014,0.00872249,0.003422451,-0.008222923,-8.90E-04,789.1710216,-9.17E-13,-196.7945414,-38.86069425,-78.71781655,13.94999281,7.971424461,-168.3963417,-37.86426619,1467.497214,3.69E-13,-365.9478531,-72.26312036,-146.3791412,25.94060731,14.82320418,-313.1401882,-70.41021984,0.154593185,1.50E-15,-0.0385507,-0.007612543,-0.01542028,0.002732708,0.001561547,-0.032987687,-0.00741735,6.560395338,1.64E-14,-1.635957171,-0.32304977,-0.654382868,0.115966584,0.06626662,-1.399882339,-0.314766443,35.6361716,-1.86E-13,-8.886545317,-1.75481148,-3.554618127,0.629932326,0.359961329,-7.604183081,-1.709816314,4.66255144,0.389917695,0.040237769,-0.116941015,-0.958390489,-0.39391861,0.135573845,-1.149748514,-0.539551898,0.002250513,-3.94E-05,-4.96E-04,-1.90E-04,-7.61E-05,1.82E-04,8.78E-05,-2.74E-04,-3.71E-05,29.22855636,-3.39E-14,-4.099886279,-0.616836417,-1.381014325,0.29062485,0.204395499,-5.613211391,-1.577677758,54.35174865,1.37E-14,-7.623913607,-1.147033657,-2.56805511,0.540429319,0.380082158,-10.43800627,-2.93375916,0.005725674,5.57E-17,-8.03E-04,-1.21E-04,-2.71E-04,5.69E-05,4.00E-05,-0.00109959,-3.09E-04,0.242977605,6.07E-16,-0.034082441,-0.005127774,-0.011480401,0.002415971,0.001699144,-0.046662745,-0.013115268,1.319858207,-6.88E-15,-0.185136361,-0.02785415,-0.062361722,0.01312359,0.009229778,-0.253472769,-0.071242346,0.17268709,0.014441396,8.38E-04,-0.001856207,-0.016813868,-0.008206638,0.003476252,-0.03832495,-0.022481329,-0.017514869,-0.220179616,-0.0843104,-0.033832541,0.080745366,0.038993394,-0.12179329,-0.016486688,-1.16E-15,-0.140269886,-0.021103896,-0.047248804,0.009943182,0.006993007,-0.192045455,-0.053977273,2.52E-16,-0.140269886,-0.021103896,-0.047248804,0.009943182,0.006993007,-0.192045455,-0.053977273,9.73E-15,-0.140269886,-0.021103896,-0.047248804,0.009943182,0.006993007,-0.192045455,-0.053977273,2.50E-15,-0.140269886,-0.021103896,-0.047248804,0.009943182,0.006993007,-0.192045455,-0.053977273,-5.21E-15,-0.140269886,-0.021103896,-0.047248804,0.009943182,0.006993007,-0.192045455,-0.053977273,0.083627538,0.004854369,-0.01074896,-0.097366098,-0.047523169,0.020130355,-0.221932921,-0.130185349,1.140747488,1.178877028,0.96976739,0.927731944,0.816704294,0.928106274,1.227734979,1.079698648,1.181818182,1.204900568,0.981331169,0.979665072,0.9140625,0.920454545,1.130113636,0.9140625,1.181818182,1.204900568,0.981331169,0.979665072,0.9140625,0.920454545,1.130113636,0.9140625,1.181818182,1.204900568,0.981331169,0.979665072,0.9140625,0.920454545,1.130113636,0.9140625,1.181818182,1.204900568,0.981331169,0.979665072,0.9140625,0.920454545,1.130113636,0.9140625,1.181818182,1.204900568,0.981331169,0.979665072,0.9140625,0.920454545,1.130113636,0.9140625,1.084289497,0.960047992,0.903574581,0.95928369,0.943912732,0.953221536,1.394086496,1.190782215,59.99336577,29.99668289,47.93384902,59.99336577,5.453942343,29.99668289,3.55E-14,0.329569039,0.029960822,-1.220966362,64.17512907,5.834102643,4.577777312,59.99336577,29.99668289,47.93384902,59.99336577,5.453942343,29.99668289,3.55E-14,0.329569039,0.029960822,-1.220966362,64.17512907,5.834102643,4.577777312,59.99336577,29.99668289,47.93384902,59.99336577,5.453942343,29.99668289,3.55E-14,0.329569039,0.029960822,-1.220966362,64.17512907,5.834102643,4.577777312,59.99336577,29.99668289,47.93384902,59.99336577,5.453942343,29.99668289,3.55E-14,0.329569039,0.029960822,-1.220966362,64.17512907,5.834102643,4.577777312,59.99336577,29.99668289,47.93384902,59.99336577,5.453942343,29.99668289,3.55E-14,0.329569039,0.029960822,-1.220966362,64.17512907,5.834102643,4.577777312,59.99336577,29.99668289,47.93384902,59.99336577,5.453942343,29.99668289,3.55E-14,0.329569039,0.029960822,-1.220966362,64.17512907,5.834102643,4.577777312,73.64333945,36.40367326,59.97117654,73.55059382,6.68641762,36.40367326,-0.204040404,0.437369622,0.039760875,-0.909674286,51.04695638,4.640632398,4.326020515,0,11.85,12.15012665,-0.210044168,0.090103887,5.167069235,8.679788829,11,27,24,21,5,3,0,0,0,6,17.491312,3.784950451,3.37705281,2.968138691,2.619181914,2.541369777,2.049918072,1.532949974,1.176699101,1.992907842,1.816898348,1.512368598,1.150336295,1.082250302,0.876097562,0.687833891,0.540021341,3.797292189,3.407348314,3.002860007,2.645815032,2.579659574,2.113647325,1.627406565,1.296157496,1.957995891,1.75462288,1.432184311,1.056798699,1.007167592,0.770529509,0.550479965,0.385155814,3.853733575,3.540006644,3.161598785,2.771820215,2.752675541,2.38163516,2.015427303,1.768239217,1.865505868,1.566310926,1.194083098,0.798620231,0.788259002,0.432191275,0.086954406,0.147460824,3.806488942,3.429648672,3.028828747,2.665925019,2.608091235,2.160063286,1.69569063,1.381307314,1.936796967,1.714423842,1.380752678,0.997543548,0.960278991,0.701213769,0.458051064,0.280407236,3.88280068,3.604030915,3.241086113,2.840120424,2.838078588,2.503130463,2.186427584,1.968657992,1.839054952,1.506517942,1.120654222,0.738564276,0.708036826,0.315972145,0.078257207,0.343315573,3.875694249,3.382428439,3.040308532,2.791401635,2.65423166,2.200572825,1.742056639,1.448338562,1.906860402,1.707349673,1.345183178,0.934761822,0.827285437,0.616042254,0.369182662,0.181755924,0,0,0,5,1,1,4,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.612372436,0.649519053,0.219416097,0.27300174,0.255985446,7.9413113,5.431851653,3.999817761,2.940670698,2.158827503,1.573206584,0.781474414,0.450523785,0.721937391,0.493804696,0.333318147,0.226205438,0.154201964,0.104880439,0.078147441,0.056315473,7.215178471,4.471343774,2.942705341,1.911829883,1.223801383,0.754431252,0.396628759,0.202804581,0.655925316,0.406485798,0.245225445,0.147063837,0.087414385,0.050295417,0.039662876,0.025350573,15.33462243,26.10269483,24.80392157,25.08,17.38843593,204.4541246,0.567948979,0.966766475,0.918663762,0.928888889,0.644016145,7.572374983,3.4193,49.671,51.9574535,77.50879761,103.914907,9.446809727,51.9574535,0.167455243,0.015223204,-1.965743086,60.22890153,5.475354685,4.507967562,135,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,5,0,0,5,0,0,0,0,0,0,0,0,1,0,4,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.17865623,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.006906848,0,1.365940374,0,0,2.006906848,0,0,0,0,0,0,0,0,2.241064815,0,5.246945625,0,0,10.70555437,0,0,0,0,1.473101852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.473101852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384550737,0,0.228047446,0,0,0.384550737,0,0,0,0,0,0,0,0,2.241064815,0,1.244722222,0,0,2.072738804,0,0,0,0,1.473101852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.204027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.420960845,0,0.359305556,0,0,0.420960845,0,0,0,0,0,0,0,0,2.241064815,0,1.356045918,0,0,2.204027778,0,0,0,0,1.473101852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.66666667,1.787878788,0.420960845,2.241064815,0.127152778,1.244722222,6.99274892,0.255277778,0.241064815,1.893238379,0.255277778,0.241064815,1.893238379,5.5,0.5,0,0,0.46296,0.7,0.43333,0.43333,0.7,0.02963,0.02963,0,0,0.71429,0,0,0.09091,0.09091,0,11.5,1.04545,5.5,0.5,6,0.54545,0.5,0.04545,0,0,7.71013,0.70092,12.43916,4.72903,0.42991,3.44966,0.31361,5.43185,1.98218,0.1802,-0.01785,-0.00162,0.06815,0.0062,0.222222222,11,0,0,0,0,0,0,0.454545455,0.975119065,2.309409122,3.250102669,3.884155095,3.954530448,4.134336113,26.32821475,62.3540463,87.75277208,104.8721876,106.7723221,111.6270751,0.20507721,0.485691643,0.683528825,0.816876339,0.831676974,0.869491888,3.779768437,2.44547838,1.504784833,0.870732408,0.800357055,0.620551389,0.198724436,0.470646141,0.662354827,0.79157157,0.805913719,0.842557223,6.784181073,16.95897493,21.81928312,23.57986019,24.46502141,24.64623406,41.99082118,31.0845179,22.77627261,18.96652871,17.85363233,17.21381343,9.090909091,5.625,3.786982249,5,6,5,2.67,1.4209,0,2.186856613,0.2,0,13.41571659,4.797076866,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,5.416,12,13,14,15,10,8,6,4,2,106,2.708050201,3.068052935,3.457892725,3.863357833,4.275797686,3.702843994,3.626006212,3.49839971,3.270044111,2.784239339,5.839187112,3.231132075,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.363636364,5,0.454545455,0,4,8,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.060408163,0.043402778,0.020408163,0,0,0.090909091,0.037037037,0.01875,0.021587302,0.015046296,0.012081633,0.014467593,0.020408163,0,0,0.230287114,34.32060963,53.5859143,68.64121927,6.240110842,34.32060963,0.17694249,0.016085681,-1.905123564,65.6628702,5.969351836,4.602986987,0,167.6464548,4.459431619,3.850147602,4.574710979,5.323009979,6.070737728,6.831953566,7.588323677,8.354909528,9.115040192,9.884151816,83.59298507,3.135494216,0,4.262679877,0,5.59471138,0,7.020190708,0,8.491465043,8.758098072,148.1252005,5.486118537,21.70652558,1.973320508,0,0,0,182,10,4.645,46,1.237974213,2.165070982,2.935551647,3.732819922,4.803879438,5.755821528,6.85015009,7.847245303,9.080821211,10.159981,91.72403858,102.7644087,95.25653819,106.0237765,131.4299719,160.6443036,164.3086487,102.5083112,43.53963766,10.32319094,321.3314287,411.9283872,421.925787,499.5545951,615.2418874,749.2120249,857.6958542,706.7701495,541.0676517,315.8102529,9.056988609,15.55848102,20.74253067,26.31713809,33.75192591,40.47965522,48.27151445,54.54802227,62.24409952,68.25946661,2.351319141,3.240938333,3.527987622,4.279376322,5.297897015,6.430437251,7.57618277,6.901513539,6.106962057,4.517258667,174.2745411,324.1333777,465.4838373,595.7712301,775.8788916,926.6155285,1093.366023,1308.275015,1580.837785,1878.759832,2.969750853,4.392657058,5.134174016,6.291781564,8.011497157,10.03797914,12.60844363,12.59180312,12.17457902,10.159981,0.484370495,0.677048473,0.746088002,0.908658162,1.126640937,1.366528236,1.615959753,1.497474562,1.355577167,1.040382055,333.2686572,200.0221614,12.98841826,83.81065614,-50.30172573,-4.969674478,249.458001,250.3238871,17.95809274,0.799053433,0.479578236,0.031141363,0.200946567,-0.120604701,-0.011915418,138.9994627,83.42510571,5.417200568,34.95569091,-20.97980922,-2.072748419,0.103349798,0.10876044,2.517226456,1.026110747,417.0793133,0,1,0,788.965793,28.0885349,9.240299714,945.0199318,30.74117649,9.813267923,1326.554667,36.42189818,10.98774024,2.445515293,2.445515293,1322.464392,1265.949253,136.9668613,1.044642499,9.655360274,9.242741205,5.095749307,5.645455692,10.31108427,0.826439677,4.87082015,5.666908742,4.370052361,21.77670372,7.65074014,4.386218973,5.089629609,11.17513359,8.595295475,2.956840294,4.666002459,3.271324443,4.43976254,3.341925054,3.652503669,1.401032455,1.704930523,1.016452392,0.436623736,0.052998374,3.98E-21,5.93E-62,1.74E-124,1.01E-208,1.1478544394E-314,0,0,0,0,0,0.408883791,5.666678976,0.343414885,6.154273353,0.988523922,1.167397094,0.564748047,1.624923266,2.535466734,0.472366936,1.297656773,0.857398494,1.190373228,0.186025434,1.088120879,0.193156039,0.097855539,0.008776621,0.003463658,3.73E-04,2.81E-23,4.18E-64,1.23E-126,7.12E-211,8.0844327E-317,0,0,0,0,0,1.319660127,5.666694839,1.123318927,7.369922806,1.527758886,1.575867134,1.427549702,2.929401551,3.536410589,0.812641682,1.804393704,1.140097292,1.64317063,0.625703264,1.394000965,0.437538768,0.344753324,0.078757945,0.033043795,0.003889781,2.92E-22,4.35E-63,1.28E-125,7.42E-210,8.42460216E-316,0,0,0,0,0,4.597663603,5.666883696,4.108679743,20.12224927,6.952559804,4.101232665,4.791102391,10.36232408,8.1408294,2.745713346,4.395828664,3.049242218,4.166379151,3.076374786,3.418546663,1.326319241,1.57784173,0.906754639,0.389291381,0.047220598,3.55E-21,5.29E-62,1.55E-124,9.00E-209,1.02271764E-314,0,0,0,0,0,1.944879529,5.666714944,1.671174768,8.790318397,2.141599329,1.930071658,2.037895638,4.01637606,4.293599377,1.095773588,2.205940211,1.396524879,2.016495413,0.988251136,1.66857764,0.605944346,0.538333202,0.167092083,0.070819575,0.008449124,6.35E-22,9.46E-63,2.78E-125,1.61E-209,1.829936164E-315,0,0,0,0,0,5.882195893,5.667013942,5.354675337,28.69499907,10.56542903,5.54123557,6.21937271,14.44365138,10.37277281,3.805571656,5.738963105,4.177960903,5.536519761,4.407284299,4.606131783,1.678533736,2.208075282,1.477123917,0.635507568,0.077293148,5.81E-21,8.65E-62,2.54E-124,1.47E-208,1.6740378225E-314,0,0,0,0,0,2.69864605,4.697544141,2.393404189,10.37883899,3.064064932,2.47691707,2.806915878,5.407119331,4.966960833,1.406440978,2.639048823,1.761519308,2.570488763,1.50769035,2.400930109,0.916654319,0.880913514,0.324570742,0.138174679,0.016580072,1.25E-21,1.86E-62,5.46E-125,3.16E-209,3.590960887E-315,0,0,0,0,0,9.567097904,1.217144222,0.615098304,0.839267672,0.106773215,0.553951554,0.386756286,0.353549001,11.39934043,18.27790697,36.83978293,0.758901508,1.294256842,8.630593796,0.653019677,0.271621675,0.903231963,0.06834156,0.451053861,0.111542135,0.069216013,9.555235148,8.15757821,19.24365888,0.854847944,0.63181201,8.967111741,0.855742486,0.395153841,0.877579239,0.083748465,0.486808324,0.191362474,0.146332455,10.21800807,11.55507707,24.80531334,0.816368858,0.824503253,9.539980859,1.200811923,0.605164865,0.840826412,0.105836101,0.550823031,0.376458674,0.342272173,11.34595765,17.95567317,36.23423174,0.761239618,1.269553878,9.131114167,0.954536107,0.455309475,0.866250738,0.090554952,0.50472931,0.238019738,0.194142444,10.54095975,13.3080703,27.81749749,0.799376108,0.936891493,9.653530958,1.269200706,0.646756078,0.834395712,0.109702412,0.563982775,0.420505031,0.390692853,11.56948774,19.3166114,38.81032813,0.751593568,1.375180659,9.571385668,1.203880433,0.604553494,0.84108413,0.105790819,0.554440393,0.378345739,0.341539406,11.3798196,18.0370287,36.38299967,0.761626196,1.274325538 +UMLS0095,L,1-phenylpentane,CCCCCC1=CC=CC=C1,10864,"""Pentylbenzene""",UML,[1],C11H16,PubChem,,7.5,0,2.1019,4.41798361,48.7581,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2016.744924,1710.103761,1293.563551,1007.912141,522.71285,110.065536,6.096384,4670.34144,5841.481647,7938.731209,7970.965389,6275.515845,5005.196641,3409.632809,1321.981609,186.5024666,169.463656,175.052008,301.220976,383.368068,397.08934,255.155828,250.693832,144.281088,40.310784,34.11358067,43.47862034,62.19060946,67.18241709,55.80050475,43.11292237,32.73540406,14.68832224,2.667677429,3856.790689,3411.659229,6337.774435,8413.205104,9465.745903,5635.131594,5968.477003,3628.909858,1109.505912,48.80555556,58.83333333,86.72222222,102.3333333,90.66666667,70.83333333,59.33333333,29,6,60.70275442,67.17251842,48.01773629,31.66858817,22.69409739,27.99755947,14.51980139,5.241216,1.016064,194.59756,243.3950686,189.0174097,147.6104702,110.0967692,139.03324,94.71202247,62.95150517,31.08374443,7.060985667,7.293833667,7.171928,7.099408667,6.966479649,7.087661889,6.963717556,6.870528,6.718464,1.421399194,1.811609181,1.480728797,1.244118835,0.978956224,1.197581177,0.909316779,0.699443916,0.444612905,160.6996121,142.1524679,150.8993913,155.8000945,166.0657176,156.5314332,165.7910279,172.8052313,184.917652,2.033564815,2.451388889,2.064814815,1.895061728,1.590643275,1.967592593,1.648148148,1.380952381,1,0.055969628,-0.002325399,-0.015537944,-0.022174919,0.014215111,-0.009076265,-0.004455644,0.002757718,0.008612528,706.2183858,-6.39E-14,-35.31091929,-348.0647759,279.9651458,-302.6650225,-110.9771749,37.83312781,126.110426,1313.243245,2.13E-13,-65.66216225,-647.2413136,520.6071436,-562.8185336,-206.3667957,70.3523167,234.5077223,0.138343333,2.24E-15,-0.006917167,-0.0681835,0.05484325,-0.05929,-0.021739667,0.00741125,0.024704167,5.870808328,1.36E-14,-0.293540416,-2.893469819,2.327356159,-2.516060712,-0.922555594,0.314507589,1.04835863,31.89032402,-1.08E-13,-1.594516201,-15.71737398,12.64223559,-13.66728172,-5.011336631,1.708410215,5.694700717,4.795138889,-0.524305556,1.014756944,-2.671006944,2.22265625,-1.953125,-1.039930556,-0.19921875,0.752604167,0.002332068,-9.69E-05,-3.70E-04,-4.11E-04,2.49E-04,-2.52E-04,-1.24E-04,1.31E-04,0.001435421,29.42576608,-2.66E-15,-0.840736174,-6.445643998,4.911669225,-8.407361736,-3.082699303,1.801577515,21.01840434,54.71846854,8.88E-15,-1.563384816,-11.98595025,9.133458659,-15.63384816,-5.73241099,3.350110319,39.08462039,0.005764306,9.32E-17,-1.65E-04,-0.001262657,9.62E-04,-0.001646944,-6.04E-04,3.53E-04,0.004117361,0.244617014,5.67E-16,-0.006989058,-0.053582774,0.04083081,-0.069890575,-0.025626544,0.014976552,0.174726438,1.328763501,-4.50E-15,-0.037964671,-0.291062481,0.221793607,-0.379646714,-0.139203795,0.081352867,0.949116786,0.199797454,-0.021846065,0.02416088,-0.049463092,0.038993969,-0.054253472,-0.02888696,-0.009486607,0.125434028,-0.041547521,-0.158636483,-0.17608692,0.106938532,-0.10810941,-0.053072163,0.056310503,0.615514368,-9.06E-17,-0.028571429,-0.219047619,0.166917293,-0.285714286,-0.104761905,0.06122449,0.714285714,1.62E-16,-0.028571429,-0.219047619,0.166917293,-0.285714286,-0.104761905,0.06122449,0.714285714,1.62E-14,-0.028571429,-0.219047619,0.166917293,-0.285714286,-0.104761905,0.06122449,0.714285714,2.32E-15,-0.028571429,-0.219047619,0.166917293,-0.285714286,-0.104761905,0.06122449,0.714285714,-3.38E-15,-0.028571429,-0.219047619,0.166917293,-0.285714286,-0.104761905,0.06122449,0.714285714,-0.109341057,0.120926865,-0.247566176,0.195167499,-0.271542361,-0.144581221,-0.047481121,0.627805938,1.132449451,1.072368745,1.118579938,0.703183479,1.208976695,1.078929313,0.909690408,0.304806016,1.15,1.079591837,1.204761905,0.726315789,1.25952381,0.985714286,0.751020408,0,1.15,1.079591837,1.204761905,0.726315789,1.25952381,0.985714286,0.751020408,0,1.15,1.079591837,1.204761905,0.726315789,1.25952381,0.985714286,0.751020408,0,1.15,1.079591837,1.204761905,0.726315789,1.25952381,0.985714286,0.751020408,0,1.15,1.079591837,1.204761905,0.726315789,1.25952381,0.985714286,0.751020408,0,1.276852522,0.813696079,1.201598412,0.629952869,1.393434709,1.139914716,0.913623668,0,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,55.69519662,27.48193295,44.1417483,55.61286329,5.561286329,27.48193295,-0.205833333,0.393826147,0.039382615,-0.931845719,44.79299697,4.479299697,3.80205181,0,11.85,12.1501118,-0.210039885,0.090093376,5.915046875,8.758382354,10,24,21,18,4,3,0,0,0,6,15.304898,3.789006766,3.342782532,2.714137024,2.619181914,2.333552793,1.991026675,1.03455174,0.941428501,1.995474402,1.769108092,1.249629723,1.227481199,1.082250302,0.800475879,0.388803438,0.310513972,3.801300174,3.371187395,2.743216118,2.645815032,2.405454588,2.052252479,1.149393199,1.053336623,1.960998231,1.707192926,1.144381645,1.134540686,1.007167592,0.695427315,0.232322697,0.150156259,3.857488743,3.497438938,2.882184644,2.771820215,2.704236987,2.31168365,1.613351017,1.517793787,1.869199643,1.522809906,0.911976488,0.798620231,0.76031856,0.361064127,0.302656236,0.396843083,3.810459515,3.392201239,2.765246681,2.665925019,2.457539916,2.096944796,1.232027611,1.134811365,1.940003944,1.667461651,1.092229137,1.058262671,0.960278991,0.626486411,0.126668645,0.041902902,3.886396736,3.559369045,2.955930475,2.838982085,2.838078588,2.43062749,1.813415419,1.721464227,1.842881827,1.46529297,0.845311077,0.738564276,0.631337262,0.24777654,0.49737482,0.594311107,3.843075836,3.358724458,2.788464865,2.756996632,2.56382137,2.121028081,1.262297895,1.255336616,1.934162481,1.654344749,1.055177718,0.942199748,0.858459866,0.557880517,0.058638967,0.089369861,0,0,0,5,1,2,1,1,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.612372436,0,0,0,0.526099421,0,0,0,0.642228525,1.041888478,1.093412989,0.40824829,0.568203574,0.497341749,7.397341225,4.7876937,4.133584955,2.529482726,2.089508593,1.454567768,0.595522031,0.319035594,0.739734123,0.47876937,0.344465413,0.210790227,0.149250614,0.103897698,0.074440254,0.053172599,6.671208396,3.827185822,3.083569555,1.486775213,1.085497855,0.621750457,0.247856683,0.116910982,0.66712084,0.382718582,0.25696413,0.123897934,0.077535561,0.044410747,0.030982085,0.019485164,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.8851,44.984,42.8834899,62.95133481,85.7669798,8.57669798,42.8834899,0.20866802,0.020866802,-1.567010712,39.432933,3.9432933,3.67460133,92,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,4,0,0,5,0,0,0,0,0,0,0,0,2,0,1,0,0,5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.0525,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.017018141,0,1.154509637,0,0,2.017018141,0,0,0,0,0,0,0,0,4.486111111,0,1.195277778,0,0,10.61037037,0.766111111,0,0,0,1.44212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.44212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.386597222,0,0.25461593,0,0,0.386597222,0,0,0,0,0,0,0,0,2.243055556,0,1.195277778,0,0,2.059351852,0.766111111,0,0,0,1.44212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422851474,0,0.359305556,0,0,0.422851474,0,0,0,0,0,0,0,0,2.243055556,0,1.195277778,0,0,2.180555556,0.766111111,0,0,0,1.44212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.5,1.85,0.422851474,2.243055556,0.128472222,0.766111111,6.300647778,0.567222222,0.243055556,2.192962963,0.567222222,0.243055556,2.192962963,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.77025,0.67703,11.44878,4.67852,0.46785,2.8055,0.28055,4.78768,1.98218,0.19822,0.12632,0.01263,0.21232,0.02123,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.345437252,3.006866543,3.40726823,3.605388542,3.605388542,23.51685016,56.29049406,72.16479704,81.77443751,86.52932501,86.52932501,0.213713581,0.511549931,0.655810498,0.743139825,0.786350715,0.786350715,3.605093744,2.239525248,1.578095958,1.177694271,0.979573959,0.979573959,0.206076118,0.493268716,0.632373856,0.716582301,0.758248968,0.758248968,6.772325919,17.12993833,20.02005558,22.60136356,22.80103417,22.80103417,37.92632204,28.30072848,23.50450824,19.55839636,19.00651667,19.00651667,8.1,4,3.111111111,4,6,3,2.56,1.28,0.5,2.921736458,2.309401077,0,7.732315986,5.638173476,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.151,0.144,0.514,0.649,4.689,12,12,14,14,8,6,4,0,0,90,2.63905733,3.068052935,3.425889994,3.884137802,4.282724121,3.684180933,3.595598464,3.446011397,0,0,5.696883733,3.299305556,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,0,3,6,1,2,0.444444444,0.4375,0.311111111,0.118055556,0.08,0,0,0,0,0.2,0.037037037,0.048611111,0.044444444,0.023611111,0.04,0,0,0,0,0.393703704,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,0,150.3504702,4.321928095,3.80666249,4.532599493,5.323009979,6.070737728,6.865891075,7.621195163,8.416046009,9.174609562,9.968479096,81.7792306,3.044522438,0,4.234106505,0,5.609471795,0,7.067319849,0,8.564267599,8.822174761,134.1095504,5.587897935,19.53512296,1.953512296,0,0,0,126,9,4.015,44,1.236512656,2.164893139,2.972026835,3.659293596,4.56951502,5.133377958,6.110736059,6.89017668,0,0,92.91185031,113.6894188,99.73067898,92.7325331,137.5065357,80.5737165,31.89507067,7.000860479,0,0,323.9803594,435.2000833,456.3252826,432.892308,657.7118569,513.18148,383.6797834,214.172491,0,0,9.050443239,15.57807896,21.14601639,25.56987818,32.41802114,35.84784872,41.97921029,46.29140398,0,0,2.364973853,3.358778008,3.809983369,3.77263303,5.594015405,4.862277544,4.266118654,3.063461469,0,0,173.8105839,323.0764279,459.6115134,601.9717126,713.3483057,843.2648233,1056.347337,1274.115294,0,0,3.110320404,4.618841899,5.739753288,6.017712973,9.089989763,8.722258016,8.426678369,6.89017668,0,0,0.486961494,0.699385126,0.804487555,0.8047512,1.185056689,1.049443129,0.944413034,0.705554092,0,0,281.4809422,152.5063086,11.40627028,80.22550987,-43.46616247,-4.772238689,201.2554323,195.9724711,16.17850897,0.778202713,0.421630048,0.031534606,0.221797287,-0.120169718,-0.013193679,101.8134729,55.1625158,4.125721553,29.01808454,-15.72199141,-1.726149524,0.114486752,0.115112832,2.33259961,0.999159556,361.706452,0,1,0,726.8842238,26.96079049,8.991284665,863.5642905,29.38646441,9.522805011,1260.551292,35.50424329,10.80239799,1.881577856,1.881577856,684.7027254,638.0471834,158.228628,1.073122401,4.327299896,4.032438324,4.385273631,4.443441828,7.963232428,0.792131581,4.313019043,4.718376127,4.219904881,16.92688574,3.969805921,7.606660033,6.852271374,9.032516812,6.173743988,2.460685802,5.145077108,2.958414696,2.061758656,1.271597638,1.71814109,4.99E-13,2.93E-47,3.44E-103,8.03E-181,3.71E-280,0,0,0,0,0,0,0,0,0,0,0.362071409,4.718203665,0.320295109,6.364459695,1.352085774,1.915353795,0.351300988,2.554590092,0.728437032,0.182850464,1.173155587,0.327708936,0.085016641,0.06848817,0.012101008,3.52E-15,2.06E-49,2.42E-105,5.66E-183,2.61E-282,0,0,0,0,0,0,0,0,0,0,1.168544053,4.718215621,1.055616701,7.641507844,1.626550945,2.852846605,1.174909508,3.621617746,1.332154153,0.564835768,1.903723397,0.667171917,0.332438009,0.246277818,0.126101835,3.67E-14,2.15E-48,2.52E-104,5.89E-182,2.72E-281,0,0,0,0,0,0,0,0,0,0,4.07114486,4.718357344,3.959709857,15.96931176,3.71761852,7.178919274,6.276208117,8.545641913,5.66074829,2.291886512,4.87355175,2.727488689,1.885530179,1.173962054,1.530832778,4.45E-13,2.61E-47,3.06E-103,7.16E-181,3.30E-280,0,0,0,0,0,0,0,0,0,0,1.722162239,4.71823073,1.578406665,8.779145213,1.892122666,3.562982814,1.889754324,4.42988936,1.89735924,0.851692051,2.429044194,0.958850433,0.54862657,0.388453283,0.273910037,7.96E-14,4.67E-48,5.48E-104,1.28E-181,5.91E-281,0,0,0,0,0,0,0,0,0,0,5.208570274,4.718455007,5.207660369,20.82541137,5.007924748,9.28045692,9.187369097,10.93772527,8.277101509,3.119000411,6.182622083,3.892768808,2.776944448,1.660328114,2.505747306,7.28E-13,4.27E-47,5.01E-103,1.17E-180,5.40E-280,0,0,0,0,0,0,0,0,0,0,2.384635892,3.717617015,2.114971537,9.693640947,1.941373299,4.451261201,2.872713161,5.416432489,2.497737768,1.111302522,3.168745491,1.427204365,0.870332758,0.597794022,0.502013467,1.46E-13,8.55E-48,1.00E-103,2.35E-181,1.08E-280,0,0,0,0,0,0,0,0,0,0,5.376272826,1.388346215,0.815192893,0.709288419,0.183163676,0.523255776,0.467385863,0.349228402,7.579811935,12.9785974,26.64311345,0.563932629,1.339870041,4.521775699,0.765469119,0.41851386,0.792493331,0.134157289,0.372708675,0.143888474,0.0939162,5.705758678,5.674064896,12.82841708,0.688739996,0.610513349,4.824583392,0.986749627,0.56005011,0.757227009,0.154872122,0.423069918,0.237802631,0.166884015,6.371383129,8.01529356,17.05288253,0.635840514,0.827756564,5.351010315,1.369996933,0.80357804,0.711136908,0.182069427,0.518429292,0.455241907,0.339530973,7.524585287,12.73172155,26.14723115,0.566705362,1.313202172,4.973877438,1.095616111,0.629420045,0.742490162,0.163551313,0.449104426,0.292525601,0.210050152,6.698913594,9.269721159,19.39863427,0.613735243,0.95168018,5.457003209,1.446960056,0.852269518,0.703563619,0.186554491,0.53883371,0.507234735,0.38106449,7.756232783,13.78010311,28.26591197,0.555345429,1.427132935,5.362975835,1.372072858,0.80293302,0.711460446,0.182021251,0.52077895,0.456634472,0.338951839,7.537981713,12.76618657,26.21246546,0.56719067,1.316365261 +UMLS0096,L,isobutylbenzene,CC(C)CC1=CC=CC=C1,10870,,"Sandia, UML",[1],C10H14,PubChem,,3.6,0,2.4503,6.00397009,38.1492,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1725.25417,1334.803517,1150.572534,444.999744,54.867456,0,0,3947.642614,5029.877407,7256.714489,8103.085283,6657.887638,4410.271889,1678.522199,0,0,181.25648,180.900988,339.488488,447.331892,616.779096,316.700928,362.797056,0,0,30.31423229,39.56609758,59.5007813,73.17861874,66.1216493,44.0891113,24.00909686,0,0,4342.872585,3643.766351,7595.322043,9769.440382,15721.53703,7176.670586,9985.553209,0,0,43.59027778,51.04166667,78.58333333,112.75,115.5,81,54,0,0,45.09238923,49.11105724,35.94279521,21.18735741,12.78413927,9.8888832,1.016064,0,0,151.8324082,201.1950963,151.1815518,128.6204013,73.97652931,98.00604198,31.08374443,0,0,6.971403077,7.23603952,7.072676833,7.100506222,6.853101067,7.0377984,6.718464,0,0,1.165932011,1.582643903,1.23959961,1.161565377,0.734684992,0.979758029,0.444612905,0,0,167.033561,145.7506541,158.2358759,155.0704823,174.6837448,159.4815686,184.917652,0,0,1.676549145,2.041666667,1.637152778,1.78968254,1.283333333,1.8,1,0,0,0.034874423,-0.008917484,0.015414224,-0.049197905,0.041146175,-0.045353305,0.029471083,0,0,670.5194345,-58.02572029,196.2845353,-907.636884,640.4320239,-825.2546886,618.9410164,0,0,1246.859521,-107.9013047,364.999475,-1687.789543,1190.910696,-1534.596333,1150.94725,0,0,0.131350154,-0.01136684,0.038450793,-0.177799834,0.125456237,-0.161661728,0.121246296,0,0,5.574042193,-0.482369036,1.63171748,-7.54520455,5.323924915,-6.860359622,5.145269717,0,0,30.27828566,-2.620236259,8.863515246,-40.98567087,28.91964464,-37.26558235,27.94918676,0,0,4.000267094,-2.616442719,3.59566075,-6.340390779,6.364460059,-5.959596893,2.956176036,0,0,0.001341324,-3.57E-04,3.21E-04,-7.81E-04,4.57E-04,-0.001007851,5.46E-04,0,0,25.78920902,-2.321028812,4.089261152,-14.40693467,7.115911377,-18.33899308,11.46187067,0,0,47.95613541,-4.316052187,7.60415573,-26.79031021,13.23234107,-34.10214073,21.31383796,0,0,0.005051929,-4.55E-04,8.01E-04,-0.00282222,0.001393958,-0.003592483,0.002245302,0,0,0.214386238,-0.019294761,0.033994114,-0.119765152,0.059154721,-0.152452436,0.095282773,0,0,1.164549448,-0.10480945,0.184656568,-0.650566204,0.321329385,-0.828124052,0.517577533,0,0,0.153856427,-0.104657709,0.074909599,-0.100641123,0.070716223,-0.132435487,0.054744001,0,0,-0.265930799,0.239412456,-0.582200224,0.340842126,-0.751385368,0.406882155,0,0,-0.09,0.158564815,-0.558641975,0.275925926,-0.711111111,0.444444444,0,0,-0.09,0.158564815,-0.558641975,0.275925926,-0.711111111,0.444444444,0,0,-0.09,0.158564815,-0.558641975,0.275925926,-0.711111111,0.444444444,0,0,-0.09,0.158564815,-0.558641975,0.275925926,-0.711111111,0.444444444,0,0,-0.09,0.158564815,-0.558641975,0.275925926,-0.711111111,0.444444444,0,0,-0.680229686,0.486879882,-0.654123624,0.459624758,-0.860773186,0.355812245,0,0,1.801167903,0.78815335,1.85664522,0.360289243,2.06096631,2.36E-05,0,0,1.625,1.03443287,1.79122575,0.451388889,1.805555556,0,0,0,1.625,1.03443287,1.79122575,0.451388889,1.805555556,0,0,0,1.625,1.03443287,1.79122575,0.451388889,1.805555556,0,0,0,1.625,1.03443287,1.79122575,0.451388889,1.805555556,0,0,0,1.625,1.03443287,1.79122575,0.451388889,1.805555556,0,0,0,2.284569673,0.330924084,1.997427802,0.151899579,2.499833077,0,0,0,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,47.51137915,23.60404027,36.42074143,47.28390519,5.910488149,23.60404027,-0.303298611,0.069676456,0.008709557,-2.131114248,29.6799635,3.709995438,2.712377751,0,11.89,12.11011416,-0.159339712,0.061922972,5.9119375,8.904306431,7,25,25,25,7,0,0,0,0,0,19.677726,3.592008556,3.179705212,2.333552793,2.333552793,2.333552793,2.167113911,1.048880678,0.462707667,1.954137036,1.700210789,1.249629723,1.249629723,1.249629723,1.068398448,0.391977468,0.083923071,3.615439298,3.214821748,2.405454588,2.405454588,2.405454588,2.235900366,1.162535052,0.568769731,1.89931099,1.625172106,1.134540686,1.134540686,1.134540686,0.953162997,0.236164495,0.270913902,3.720228904,3.370103217,2.704236987,2.704236987,2.704236987,2.526266251,1.621470524,0.966353878,1.741484876,1.401130811,0.76031856,0.76031856,0.76031856,0.581431987,0.295298608,0.943918427,3.632796401,3.240763222,2.457539916,2.457539916,2.457539916,2.286022252,1.244238386,0.643043341,1.864692752,1.577040195,1.058262671,1.058262671,1.058262671,0.876980678,0.131040995,0.399277246,3.772273965,3.445738001,2.838982085,2.838982085,2.838982085,2.659090551,1.819820028,1.207644823,1.693409454,1.330703101,0.631337262,0.631337262,0.631337262,0.454834927,0.48816063,1.124443599,3.592231329,3.276863964,2.607254599,2.607254599,2.607254599,2.327374127,1.296485879,0.62512708,1.89351304,1.522549093,0.903112587,0.903112587,0.903112587,0.800458083,0.037656838,0.568047337,0,0,0,0,0,5,1,1,1,0,0,0,0,0,0,0,0,0,0,1.968908462,0.353553391,0,0,1.968908462,0.353553391,0,0,0.816496581,2.041241452,1.020620726,0.816496581,2.041241452,1.020620726,6.78445705,3.416502219,4.158631167,1.020620726,1.224744871,0,0,0,0.848057131,0.488071746,0.415863117,0.204124145,0.204124145,0,0,0,6.78445705,3.416502219,4.158631167,1.020620726,1.224744871,0,0,0,0.848057131,0.488071746,0.415863117,0.204124145,0.204124145,0,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,45,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,5,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,11.39236111,0,1.326388889,0,0,0,0.842592593,0,0,0,0,0,0.521990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.269097222,0,1.326388889,0,0,0,0.842592593,0,0,0,0,0,0.521990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.284722222,0,1.326388889,0,0,0,0.842592593,0,0,0,0,0,0.521990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.08333333,1.760416667,0.2,2.284722222,0,0.521990741,6.046809028,0.728009259,0.284722222,2.784722222,0.728009259,0.284722222,2.784722222,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.625,0.125,0.125,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.73928,1.21741,9.73928,0,0,3.41649,0.42706,3.41649,0,0,0.49751,0.06219,0.49751,0.06219,0,7,0,0,0,0,0,0,1,0.89049164,1.36704393,2.109737932,2.669901737,2.489115594,1.842894099,23.15278265,35.54314217,54.85318624,69.41744515,64.71700543,47.91524656,0.189448582,0.290833201,0.448838419,0.568011058,0.529549519,0.392068447,3.809948078,3.333395788,2.590701786,2.030537982,2.211324125,2.85754562,0.191756937,0.294376887,0.454307336,0.574932045,0.536001868,0.396845644,6.648700044,12.36732752,15.16830597,15.73285308,13.56341936,8.937675332,31.72521615,23.58736256,20.75788419,21.58789648,20.50317962,17.76444748,8,2.52,7.2,8,0,5,2.34,1.2358,3.298769777,2.5,2.58640929,3.221970075,0,1,1,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.131,0.009,0.004,3.126,10,5,6,0,0,0,0,0,0,36,2.079441542,2.397895273,1.791759469,1.945910149,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,7,1,0,2,4,1,4,0.666666667,0.75,0,0,0,0,0,0,0,0.571428571,0.066666667,0.15,0,0,0,0,0,0,0,0.788095238,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,0,146.9243357,4,3.555348061,4.17438727,5.056245805,5.686975356,6.577861358,7.211556733,8.105005538,8.739536423,9.633841843,73.74075839,2.708050201,0,4.007333185,0,5.416100402,0,6.882437471,0,8.379079889,8.635687085,114.1408506,4.390032714,14.27908074,1.784885093,0,0,0,66,5,4.807,34,1.2278,2.115728773,2.941571657,3.435863964,4.168456882,4.591747212,0,0,0,0,71.2221278,87.331823,66.2360442,49.51859867,42.38461035,4.665509039,0,0,0,0,272.5498825,351.7650236,389.2140277,271.2450924,417.3074773,142.7286968,0,0,0,0,8.919363223,15.034845,20.91004856,23.58942738,29.37862393,30.84948834,0,0,0,0,2.081648384,2.816384767,3.482229517,2.631808581,4.154236656,2.041550066,0,0,0,0,176.77647,329.6995075,454.4862559,597.024756,661.4573701,849.0951131,0,0,0,0,2.546391667,3.646097269,5.311626286,4.525357563,7.608102435,4.591747212,0,0,0,0,0.4321989,0.591022767,0.742723227,0.573088326,0.900145213,0.470194914,0,0,0,0,373.7077614,162.5423626,8.947225015,118.7815566,-51.66345693,-6.901876529,254.9262048,214.2058195,15.84910154,0.758813943,0.330042412,0.018167348,0.241186057,-0.104902695,-0.014014266,184.0470805,80.05037729,4.406412745,58.49864778,-25.44370067,-3.399100465,0.067974271,0.144036782,0.836073938,8.049388056,492.489318,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,801.7991682,28.31605849,9.290131623,1.404310375,1.404310375,410.0261221,373.1117009,161.6504711,1.098936649,2.536498158,2.308138655,4.005012793,3.22022378,6.424248771,0.99496967,5.020218393,6.683004489,3.186528603,26.75033514,4.692708239,14.65268939,10.09536312,12.72250273,5.546721246,8.179924101,2.32761958,1.126710559,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421311494,6.642958987,0.1725264,11.70491739,1.527764632,1.670896912,0.414037182,0.67966319,1.115878738,0.094794332,0.016394683,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.360045288,6.651078506,0.619466497,13.979447,1.765622122,3.525905859,1.423351546,2.329101507,1.654860668,0.695889075,0.170836853,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.738676201,6.680533608,2.942480948,25.54746859,4.354553874,13.57676117,9.160639552,11.69913552,5.146185028,7.313767434,2.073867876,1.003878823,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.00445695,6.65666852,0.976243274,15.7773557,2.050099432,5.035319258,2.40329219,3.701527375,2.133363791,1.420066592,0.371077844,0.17962281,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.062642867,6.692174986,4.157722022,31.52396775,6.10869562,18.95563992,13.94458422,16.8364309,7.176517963,11.80837168,3.394610919,1.64320146,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.089831421,5.141674799,1.242128226,18.98228424,2.343087082,8.193086423,3.640308071,5.528922222,3.318008076,2.795540533,0.751075597,0.363564459,2.59E-15,3.56E-51,9.43E-109,4.82E-188,4.75E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.400794242,1.424765966,1.037813733,0.580006371,0.242994218,0.523423263,0.584057321,0.464255295,5.863373941,9.853368547,20.74529862,0.370009557,1.57173588,2.722439864,0.871012702,0.546324625,0.657629563,0.210400865,0.335152069,0.217909949,0.128018615,4.139777191,4.334471328,9.769737012,0.486444344,0.681080632,3.00199774,1.099244856,0.748931772,0.618946354,0.226640276,0.407658717,0.347351679,0.241115369,4.850174369,6.371481461,13.69307868,0.42841953,0.996125764,3.384986923,1.411864347,1.026366062,0.581291532,0.242454345,0.518558464,0.573510195,0.454025145,5.823217333,9.702467702,20.43083455,0.371937298,1.546093803,3.1221914,1.197360968,0.836014827,0.605596103,0.232246215,0.441021943,0.412249757,0.300709038,5.155567194,7.349599941,15.6305167,0.408394154,1.153980737,3.4499796,1.464909442,1.073432357,0.576117975,0.244627725,0.538706255,0.617490156,0.496819176,5.9883214,10.32970862,21.74305807,0.364176963,1.653015587,3.39316235,1.415176613,1.028529824,0.581332642,0.242454759,0.521086913,0.57633231,0.456017766,5.836868787,9.747444029,20.52323486,0.371998962,1.553436989 +UMLS0097,L,"2,2,4-trimethylpentane",CC(C)CC(C)(C)C,10907,strange that the blending ONs are listed as 100,"Sandia, UML",[1],C8H18,PubChem,,0,0,0.7455,0.55577025,27.075,17.07193,0,0,17,7,10,0,5,0,2,0,0,0,0,0,0,0,1243.417247,1130.35521,1383.841807,1325.040754,588.00605,148.333248,18.289152,0,0,2861.203507,3326.105375,4074.341527,4008.743386,2815.938428,1470.09063,559.5073998,0,0,131.590652,123.89952,216.519916,223.727536,246.085256,105.566976,120.932352,0,0,19.67703705,23.5201631,30.10520289,29.92597805,22.05501317,14.69637043,8.003032287,0,0,2854.050872,2371.638531,4597.229995,4670.223679,5308.101922,2392.223529,3328.517736,0,0,87.80555556,51.38888889,85.66666667,102.1666667,107,27,18,0,0,73.142191,70.64720063,49.42292168,45.69106048,19.60020167,9.8888832,1.016064,0,0,168.3060886,207.8815859,145.5121974,138.2325305,93.86461427,98.00604198,31.08374443,0,0,7.740626588,7.74372,7.732854143,7.714742621,8.202841867,7.0377984,6.718464,0,0,1.157472768,1.470010194,1.075185818,1.031930278,0.735167106,0.979758029,0.444612905,0,0,167.8853454,148.2274082,164.1867855,161.0421958,176.9367307,159.4815686,184.917652,0,0,5.16503268,3.211805556,3.05952381,3.522988506,3.566666667,1.8,1,0,0,0.264542299,-0.161241266,0.021148346,0.106715824,-0.117501333,-0.004211608,0.022818888,0,0,629.8202065,-12.09745997,168.9220628,-64.20906574,-572.3107065,-285.1831697,449.9682359,0,0,780.5766247,-146.4197851,185.9519761,-378.5905397,-56.95684458,-536.3430796,542.0699606,0,0,1.881607059,-0.015005232,0.597607903,-0.160408747,-2.004744457,0.120106007,0.521640997,0,0,3.424768994,-1.080059213,0.801235509,-2.668590195,1.787479987,-2.293065721,1.740615137,0,0,19.34959846,-6.628413839,4.57546903,-16.30100259,12.40769457,-12.18402931,8.455482906,0,0,36.61437908,-1.656670511,8.888408304,2.370242215,-36.92733564,-0.71366782,9.73183391,0,0,0.015561312,-0.010077579,7.55E-04,0.003679856,-0.003916711,-2.81E-04,0.001267716,0,0,37.04824744,-0.756091248,6.032930815,-2.214105715,-19.07702355,-19.01221131,24.99823533,0,0,45.91627204,-9.151236571,6.641142004,-13.0548462,-1.898561486,-35.75620531,30.11499781,0,0,0.110682768,-9.38E-04,0.021343139,-0.005531336,-0.066824815,0.008007067,0.028980055,0,0,0.201457,-0.067503701,0.028615554,-0.092020352,0.059582666,-0.152871048,0.096700841,0,0,1.138211674,-0.414275865,0.163409608,-0.562103538,0.413589819,-0.81226862,0.46974905,0,0,2.153787005,-0.103541907,0.317443154,0.08173249,-1.230911188,-0.047577855,0.540657439,0,0,-0.647604732,0.048536915,0.236474666,-0.251695434,-0.018043073,0.081465883,0,0,-0.020408287,0.162839843,-0.059762765,-0.514923778,-0.513174377,0.67474812,0,0,-0.199302691,0.144635915,-0.284318513,-0.041348337,-0.778726227,0.655867658,0,0,-0.008473107,0.192831637,-0.049974682,-0.603750849,0.072342491,0.261829875,0,0,-0.335077465,0.142042986,-0.456774159,0.295758729,-0.758827186,0.480007352,0,0,-0.363970845,0.143566976,-0.493847982,0.363368105,-0.713635819,0.412707988,0,0,-0.048074348,0.147388369,0.03794827,-0.571510175,-0.022090325,0.251026419,0,0,1.617504738,1.033784618,1.110946089,1.543663269,0.144778789,0.026385466,0,0,0.99899345,0.81456018,1.027100353,1.632302981,1.230228007,0,0,0,1.508256898,0.858481053,1.313281694,0.735257667,1.845834733,0,0,0,0.720275784,0.796568926,0.987233571,2.41106295,0.080666364,0,0,0,1.799320607,0.885941661,1.522381755,0.33480885,1.880744492,0,0,0,1.84360627,0.890698995,1.565380566,0.301448699,1.808215364,0,0,0,0.60313281,0.555987657,0.995986655,2.64255623,0.174794716,0,0,0,22.38977254,11.44488627,16.99983844,22.7469154,3.249559342,11.44492107,0.5,0.08744598,0.012492283,-1.705713831,22.14379885,3.163399835,2.168290247,22.39911033,11.44882074,17.00543989,22.75520401,3.25074343,11.44885539,0.498531158,0.087056295,0.012436614,-1.708840211,22.15827544,3.16546792,2.168747725,30.83565763,15.01883433,22.57513889,30.26566551,4.323666502,15.01883507,-0.797988956,0.191921446,0.027417349,-1.155468388,45.27681667,6.468116667,2.66895659,22.4089111,11.45295035,17.01132064,22.76390367,3.251986239,11.45298484,0.4969896,0.086647412,0.012378202,-1.712135692,22.17352609,3.167646584,2.169229341,39.97626287,18.90583717,29.25388465,38.43012821,5.490018316,18.90583718,-2.164588529,0.337622191,0.048231742,-0.760079451,22.64287145,3.234695921,2.183891553,23.37055661,11.85841249,17.59606585,23.61789116,3.373984452,11.85843446,0.346268372,0.047200453,0.006742922,-2.137346254,23.99454625,3.427792321,2.224478595,24.37048953,12.49107299,19.33752913,24.84130585,3.548757979,12.49108796,1.098571429,0.2656431,0.037949014,-0.927921121,18.07174633,2.581678048,2.02604482,0,11.99640053,15.99825848,-0.349399905,0.263788354,4.036119858,7.095128738,6,16,15,15,5,1,1,0,0,1,13.80607,3.558254358,2.941391517,2.491726046,2.333552793,1.190470968,1.072858919,0.083923071,0.083923071,1.799785596,1.428216237,1.249629723,0.84652386,0.264348958,0.083923071,0.083923071,0.083923071,3.472433173,2.85046942,2.405454588,2.39383797,1.211980661,0.634095789,0.270913902,0.270913902,1.780958673,1.405297616,1.134540686,0.923086165,0.211134644,0.270913902,0.270913902,0.270913902,3.639863612,3.137865756,2.704236987,2.697425731,1.6698388,1.255835685,0.943918427,0.943918427,1.580589349,1.061163973,0.76031856,0.582358791,0.316363373,0.943918427,0.943918427,0.943918427,3.464280132,2.838056669,2.457539916,2.379341251,1.261008177,0.465143439,0.399277246,0.399277246,1.779413136,1.388284017,1.058262671,0.942677157,0.139144578,0.399277246,0.399277246,0.399277246,3.661495587,3.196756147,2.838982085,2.744424992,1.835045658,1.209058028,1.207644823,1.207644823,1.54682937,0.996594548,0.631337262,0.536526663,0.474876785,1.207644823,1.207644823,1.207644823,4.660023908,3.275784747,3.158550919,2.587517045,1.896321128,1.421296726,0.555555556,0.555555556,1.662861677,1.100513747,0.920850378,0.477698649,0.217985533,0.555555556,0.555555556,0.555555556,0,0,1,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.336787657,0,0.048112522,0,1.276142375,0.707106781,0.23570226,0.380039828,0.214076175,0.048112522,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,4.89384685,2.259872254,1.677860277,0.672588984,0.23570226,0,0,0,0.699120979,0.376645376,0.239694325,0.112098164,0.11785113,0,0,0,9.138737228,17.10050983,16.3254902,16.6,9.953251497,131.4503174,0.537572778,1.005912343,0.960322953,0.976470588,0.585485382,7.73237161,0.8154,26.854,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,1,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66203704,-0.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.249305556,0.5125,0,0,0,0,0,0,0,0,0,0,4.986111111,0,0,0,0,0,0.00462963,0,0,-0.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.28935185,4.372685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.372685185,-0.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368402778,0.5125,0,0,0,0,0,0,0,0,0,0,1.391203704,0,0,0,0,0,0.00462963,0,0,-0.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.28935185,4.372685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.28935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,1.797453704,0,0,0,0,0,0.00462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.28935185,4.372685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.5,2.785714286,0.598958333,10.28935185,0.354166667,-0.152777778,2.177509259,1.819444444,3.289351852,8.324074074,1.819444444,3.289351852,8.324074074,3.16666,0.45238,0,0.04762,0.5549,0.91905,0.42174,0.5549,0.91905,0.13316,0,-0.13316,0,0.49223,0.22206,0,0.57895,0.31579,0,5.25,0.75,3.75,0.53571,1.5,0.21429,-2.25,-0.32143,0,0,4.69267,0.67038,7.55695,2.86428,0.40918,2.08147,0.29735,3.18073,1.09926,0.15704,0.23327,0.03332,0.23327,0.03332,0,6.02,2,2,2,2,0,0,0.8,1.332820405,2.015740432,2.777776811,2.777776811,2.537337821,1.816020849,22.65794688,34.26758735,47.22220579,47.22220579,43.13474295,30.87235443,0.326075235,0.49315199,0.679584603,0.679584603,0.620761073,0.444290485,2.754642437,2.071722409,1.30968603,1.30968603,1.55012502,2.271441992,0.326075235,0.49315199,0.679584603,0.679584603,0.620761073,0.444290485,12.49498498,21.16001527,21.92801461,21.92801461,19.04274672,8.465876578,25.89308809,17.03684232,17.28075429,17.28075429,15.83812035,10.54846255,7,3.06122449,2.666666667,7,3,3,1.79,0.8875,0.944940787,0,3.532775529,0,0,0,0,1,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.426,0.519,0.065,2.631,7,6,2,0,0,0,0,0,0,28,2.079441542,2.302585093,2.302585093,1.098612289,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,2,1.111111111,0.25,0,0,0,0,0,0,0,0.333333333,0.158730159,0.041666667,0,0,0,0,0,0,0,0.533730159,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,26.3,109.9803765,3.807354922,3.295836866,3.970291914,4.691347882,5.398162702,6.120297419,6.834108739,7.556427969,8.272059622,8.994296558,68.13282967,2.564949357,0,3.713572067,0,5.056245805,0,6.463029457,0,7.890956716,8.168486417,102.0680796,6.00400468,12.50524286,1.786463266,5.038666444,5.038666444,0,46,6,0.787,26,1.2270625,2.095207271,2.894583365,3.52321422,4.67163558,5.104922683,0,0,0,0,96.90864932,115.5857239,139.6551594,76.86326703,46.91829202,5.186928161,0,0,0,0,275.0821314,330.4755461,415.1579483,354.789718,463.2868309,158.680112,0,0,0,0,9.573754286,16.34256345,22.41155987,28.77948802,32.90397954,34.29723927,0,0,0,0,1.899056374,2.390336146,3.062705574,2.759717271,4.620560058,2.269714503,0,0,0,0,180.4501068,340.16152,464.0044852,618.0460379,742.9727534,943.9903162,0,0,0,0,4.044145833,6.81941559,10.39212298,12.29572422,8.473954581,5.104922683,0,0,0,0,0.445526719,0.579710394,0.776102706,0.741614593,1.001574578,0.522744083,0,0,0,0,382.2301823,264.2152305,19.14840806,122.9680724,-85.0012351,-18.86984426,259.2621099,349.2164656,38.01825232,0.756594424,0.522993158,0.03790276,0.243405576,-0.168253224,-0.037351365,193.102021,133.4810733,9.673742332,62.12325555,-42.94247562,-9.533012389,0.381581,0.461125919,10.40418024,5.738833731,423.0819806,82.11627414,0.837457328,0.162542672,523.9030215,22.88892792,8.061520593,620.7733823,24.91532425,8.530563018,878.785576,29.64431777,9.578429491,1.354972675,1.221238092,331.8338481,255.389518,108.6841645,1.299324462,3.053194083,2.349831911,3.592443368,3.222561645,6.153310547,0.909446963,2.802231592,3.344489696,5.546013194,6.070438004,3.872421177,5.012569276,2.780146484,3.611235616,1.628230194,0.681157651,0.622347122,1.04E-05,1.07E-31,2.23E-79,9.30E-149,7.67E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2516794,3.495518159,0.533473363,3.790889656,0.233664675,1.956257476,0.733100313,0.298277135,0.083965796,0.056963752,0.004383242,7.33E-08,7.57E-34,1.57E-81,6.55E-151,5.40E-242,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765034346,3.214431342,1.062071595,3.821389338,0.740721729,1.84222362,0.913410555,0.92352575,0.305631858,0.18401844,0.045676758,7.64E-07,7.88E-33,1.64E-80,6.82E-150,5.63E-241,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650193139,3.495060401,6.480776598,6.41850665,3.699385184,5.50943352,2.660457626,3.398724481,1.50059611,0.642818796,0.554500081,9.28E-06,9.57E-32,1.99E-79,8.28E-149,6.83E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.119938123,3.107624088,1.212684274,3.910943381,1.126027391,1.865448397,1.084984153,1.365765085,0.485575955,0.27134338,0.099216021,1.66E-06,1.71E-32,3.56E-80,1.48E-149,1.22E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.384123505,3.439933073,7.893154057,7.010656222,5.129801295,6.58896208,3.673776973,4.45160649,2.138379014,0.823252409,0.907634789,1.52E-05,1.57E-31,3.26E-79,1.36E-148,1.12E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.711826294,3.199791866,6.829006853,7.292906795,2.312251836,7.633304885,2.033611988,2.164920276,0.793340773,0.419660394,0.192082445,3.21E-06,3.32E-32,6.90E-80,2.87E-149,2.37E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.776472421,1.265404197,0.472003714,0.684902862,0.229494316,0.544789426,0.481034806,0.422936711,5.513880331,7.158548538,14.92802325,0.527354293,1.448760943,2.408093157,0.933992309,0.158537732,0.687904131,0.266807439,0.223799534,0.265761988,0.039747216,3.500623198,2.778987137,6.636183966,0.531856196,0.529308738,3.065476099,1.008012054,0.280936138,0.703991135,0.231491464,0.359765378,0.304102948,0.145542165,4.354424291,4.23442689,9.456954202,0.555986702,0.809410491,3.642927822,1.254337102,0.455287485,0.680596385,0.234343731,0.507287466,0.470551755,0.387222816,5.352552409,6.799122956,14.2320931,0.520894578,1.365062037,3.38320662,1.071118915,0.3401318,0.705649541,0.223407748,0.437472872,0.34564443,0.220243554,4.794457336,5.138874368,11.16590697,0.558474312,1.003360856,3.838160005,1.299618591,0.494656433,0.681438842,0.230738319,0.562706836,0.506974841,0.463864285,5.632435029,7.529579333,15.62943193,0.522158263,1.533545962,3.665903494,1.272241663,0.458577793,0.679283248,0.235743371,0.514226493,0.485122147,0.393570712,5.396722949,6.928438862,14.46392973,0.518924872,1.392919352 +UMLS0098,L,"2-Methyl propanoic acid, methyl ester",CC(C)C(=O)OC,11039,Opting for Sandia/UML values,"Sandia, UML",[9],C5H10O2,UML,"smiles code is result of 2-methyl propanoic acid reacting with methanol (esterification) to produce 'methyl ester', specifically methyl 2-methylpropanoate",-2,0,1.1075,1.22655625,27.3795,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,894.311257,941.764873,706.703975,533.76297,133.168896,6.096384,0,0,2644.81273,3111.440287,3640.513361,3306.634392,2364.901695,1094.55995,186.5024666,0,0,118.238936,113.725804,184.461484,182.459684,205.857144,151.68384,40.310784,0,0,19.03383305,23.05160678,28.92575372,28.16061288,22.04147389,10.77105139,2.667677429,0,0,2668.599586,2223.807959,4009.660895,3934.870237,4949.717114,3636.36258,1109.505912,0,0,63.02777778,45,64.16666667,59.33333333,58.66666667,52,6,0,0,61.71557788,59.62075047,37.67059492,28.268159,18.40561966,6.6584448,1.016064,0,0,165.3007956,207.4293525,145.6205345,132.2653757,81.54833431,54.72799748,31.08374443,0,0,7.3899335,7.581720267,7.37845936,7.29838736,7.098522207,7.584192,6.718464,0,0,1.189614566,1.536773785,1.157030149,1.126424515,0.760050824,0.53855257,0.444612905,0,0,166.7874742,148.2538639,160.3864358,157.3948095,170.6799005,181.818129,184.917652,0,0,3.939236111,3,2.566666667,2.373333333,2.022988506,2.6,1,0,0,0.230435513,-0.10216257,-0.021173421,-0.010320333,0.046937089,-0.063203029,0.034704507,0,0,523.7576238,-61.37440864,-31.81109361,-304.6363672,128.0334735,-106.9538542,114.8634383,0,0,766.4429154,-64.08388028,6.681852741,-553.3628414,-45.62552823,107.17841,165.9905295,0,0,1.03666,-0.10552625,-0.13128875,-0.09238775,0.23486625,-0.502655,0.0786615,0,0,3.391946473,-0.184652645,0.16238178,-2.452906795,-1.008634642,1.165918109,0.621920956,0,0,18.82152525,-0.868064488,1.05603693,-13.30318059,-6.804589582,7.316501624,3.192533483,0,0,23.44270833,-4.399414063,-1.125759549,-4.648328993,8.25141059,-11.76866319,1.969401042,0,0,0.01440222,-0.006810838,-8.47E-04,-4.13E-04,0.00161852,-0.003160151,0.005784084,0,0,32.73485148,-4.091627243,-1.272443744,-12.18545469,4.41494736,-5.347692709,19.14390639,0,0,47.90268221,-4.272258686,0.26727411,-22.13451365,-1.573294077,5.358920498,27.66508825,0,0,0.06479125,-0.007035083,-0.00525155,-0.00369551,0.008098836,-0.02513275,0.01311025,0,0,0.211996655,-0.012310176,0.006495271,-0.098116272,-0.034780505,0.058295905,0.103653493,0,0,1.176345328,-0.057870966,0.042241477,-0.532127224,-0.23464102,0.365825081,0.532088914,0,0,1.465169271,-0.293294271,-0.045030382,-0.18593316,0.2845314,-0.58843316,0.328233507,0,0,-0.472901968,-0.058805995,-0.028663174,0.112379923,-0.21942114,0.401610628,0,0,-0.124992999,-0.038871224,-0.372247135,0.134869937,-0.163363891,0.584817267,0,0,-0.08918621,0.005579523,-0.462072532,-0.032843549,0.11187099,0.577526914,0,0,-0.108580763,-0.081053383,-0.057037177,0.124998919,-0.387903459,0.202345996,0,0,-0.058067786,0.030638555,-0.462819906,-0.164061574,0.274985026,0.488939285,0,0,-0.049195559,0.035909079,-0.452356303,-0.199466104,0.31098443,0.452323736,0,0,-0.200177738,-0.030733911,-0.12690217,0.194196947,-0.401614456,0.224024291,0,0,1.368619598,0.879370361,0.754638362,0.45379245,1.947293137,1.085774028,0,0,1.269889206,1.029344676,1.316690931,0.673285099,1.138775193,0,0,0,1.398696897,1.048119053,1.544170564,0.858859731,0.465268695,0,0,0,1.044581637,0.966863195,0.681654544,0.476448235,2.465066656,0,0,0,1.448950267,1.049012986,1.581474052,0.958979059,0.234658866,0,0,0,1.454759456,1.047138199,1.569961263,0.979079053,0.217891453,0,0,0,1.137524994,0.91677405,0.769962231,0.418604295,2.431459676,0,0,0,18.13904993,9.194524963,13.86012745,18.30571659,3.050952765,9.194798085,0.25,0.068620858,0.01143681,-1.607495243,29.01191641,4.835319402,2.020623994,18.14221649,9.195741034,13.86224782,18.30839354,3.051398923,9.196013776,0.249265579,0.068787392,0.011464565,-1.60604088,28.96846899,4.828078165,2.019724777,20.96535597,10.28318075,15.9612078,20.69935965,3.449893276,10.28326459,-0.398994478,0.206386721,0.034397787,-0.94680215,19.19888616,3.19981436,1.772911359,18.14553991,9.197017354,13.86447382,18.31120311,3.051867184,9.197289698,0.2484948,0.068962171,0.011493695,-1.604518303,28.92316859,4.820528098,2.018785773,23.98354189,11.45062381,18.56721484,23.26201238,3.877002063,11.45064909,-1.082294264,0.30919697,0.051532828,-0.704266057,20.70041445,3.450069075,1.818092233,18.47093035,9.322032269,14.08530327,18.58635314,3.097725524,9.322268586,0.173134186,0.086033278,0.01433888,-1.471812661,25.58171594,4.263619323,1.945126725,17.29678496,8.959503591,13.54783678,17.71159977,2.951933296,8.959883804,0.622222222,0.00508294,8.47E-04,-3.169119306,54.76551477,9.127585794,2.401836422,0,11.99640057,15.99794223,-0.416929661,0.087317326,4.033414643,7.174379394,5,15,14,14,4,1,1,0,0,1,10.93207,3.522880391,2.844341681,2.333552793,1.95151914,1.247291712,0.354612376,0.083923071,0.083923071,1.831403533,1.360895552,1.249629723,0.677036555,0.383588404,0.083923071,0.083923071,0.083923071,3.527388523,2.780631295,2.405454588,1.873566256,1.194928977,0.480287045,0.270913902,0.270913902,1.7898806,1.329216892,1.134540686,0.627371947,0.311877944,0.270913902,0.270913902,0.270913902,3.630623175,3.051220498,2.704236987,2.25027394,1.748476388,0.959218208,0.943918427,0.943918427,1.634924815,1.002794455,0.76031856,0.190992373,0.295235925,0.943918427,0.943918427,0.943918427,3.538405639,2.787334706,2.457539916,1.884082124,1.209463766,0.569008004,0.399277246,0.399277246,1.76494431,1.308987807,1.058262671,0.596914339,0.240099279,0.399277246,0.399277246,0.399277246,3.672691025,3.116895434,2.838982085,2.343670368,1.910978431,1.207644823,1.207644823,1.207644823,1.594869763,0.929583964,0.631337262,0.087020375,0.456433747,1.150770461,1.207644823,1.207644823,4.040424125,3.457399298,2.571572866,2.477390284,1.635554917,0.647030055,0.545454545,0.545454545,1.697253969,1.107463059,0.935209229,0.323941551,0.234496264,0.545454545,0.545454545,0.545454545,0,0,0,1,1,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.288675135,0,0,0,0.288675135,0.288675135,0,0.204124145,0.091287093,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.231670646,2.013151191,1.4640486,0.499535383,0.182574186,0,0,0,0.705278441,0.402630238,0.29280972,0.166511794,0.091287093,0,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,0.87109,26.2468,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,1,0,1,2,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,3,0,1,0,0,0,0,0,0,0,0,2,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.739791667,0,8.160277778,2.928240741,0,0,0,0,0,0,0,0,0,0.739791667,0,0,0,0,0,0,0,0,0,0,0.415277778,0,0,0,1.200833333,0,0.415277778,0,0,0,0,0,0,0,0,3.909166667,0,0.168981481,0,1.763888889,0,0,0,0,1.164351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.160277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.739791667,0,8.160277778,1.164351852,0,0,0,0,0,0,0,0,0,0.739791667,0,0,0,0,0,0,0,0,0,0,0.415277778,0,0,0,0.330277778,0,0.415277778,0,0,0,0,0,0,0,0,1.954583333,0,0.168981481,0,1.763888889,0,0,0,0,1.164351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.160277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.739791667,0,8.160277778,1.763888889,0,0,0,0,0,0,0,0,0,0.739791667,0,0,0,0,0,0,0,0,0,0,0.415277778,0,0,0,0.540277778,0,0.415277778,0,0,0,0,0,0,0,0,1.954583333,0,0.168981481,0,1.763888889,0,0,0,0,1.164351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.160277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.16666667,2.527777778,0.739791667,8.160277778,0.144097222,0.168981481,2.099924352,1.331018519,2.160277778,4.320555556,1.331018519,2.160277778,4.320555556,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.42,0.47593,0.75238,0.07792,0.02199,-0.05593,0.0754,0.57047,0.14382,0,0.47059,0.17647,0,3.75,0.625,2.75,0.45833,1,0.16667,-1.75,-0.29167,0,0,4.01833,0.66972,5.69868,1.68035,0.28006,1.8559,0.30932,2.77005,0.91415,0.15236,0.14395,0.02399,0.14395,0.02399,0,5.01,1,1,1,1,1,1,0.6,1.198192411,2.375,2.780639062,2.780639062,2.530639062,1.780639062,19.17107858,38,44.490225,44.490225,40.490225,28.490225,0.299548103,0.59375,0.695159766,0.695159766,0.632659766,0.445159766,2.801807589,1.625,1.219360938,1.219360938,1.469360938,2.219360938,0.299548103,0.59375,0.695159766,0.695159766,0.632659766,0.445159766,10.71860945,18.50655369,18.91536689,18.91536689,15.91536689,9.66341063,21.96987352,15.5,15.43383437,15.43383437,13.93383437,10.68383437,6,3.2,5.333333333,6,2,4,1.9,0.8288,0.5,1.632993162,2,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.387,0.525,0.349,3.036,5,3,2,0,0,0,0,0,0,21,1.945910149,2.197224577,1.945910149,1.609437912,0,0,0,0,0,0,3.433987204,1.428571429,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,20.23,101.1901498,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,86.07316494,5.379572809,10.67917749,1.779862916,2.371664406,2.371664406,0,32,3,0.702,20,1.205726492,2.095697408,2.993448644,3.64854879,4.376425352,5.174454562,0,0,0,0,83.43197,90.82960219,94.57105109,80.42354878,32.41463873,5.257577,0,0,0,0,274.4670625,335.7065417,416.1441112,319.601219,252.5041078,160.8414232,0,0,0,0,9.174694684,15.55074601,21.91056577,26.13924361,33.71965075,34.76438669,0,0,0,0,1.980235469,2.60259895,3.477075335,2.864370354,2.401936745,2.300629274,0,0,0,0,176.4466208,331.3410398,468.2655549,619.1252548,794.419691,956.8479881,0,0,0,0,3.745538319,5.671644287,7.321038563,8.137566463,12.34938028,5.174454562,0,0,0,0,0.43560519,0.581525847,0.77865914,0.69073747,0.667636878,0.529864147,0,0,0,0,244.1520147,150.8926099,13.24180635,87.96583785,-54.36528907,-17.05164555,156.1861768,205.257899,30.2934519,0.735136678,0.454334534,0.039870806,0.264863322,-0.163692763,-0.051342153,81.0872428,50.11412956,4.39784029,29.21502516,-18.05568306,-5.6631559,0.34006375,0.633724548,8.192445398,23.10112721,271.5739952,60.54385732,0.817703695,0.182296305,366.4181325,19.14205142,7.155813047,473.6433667,21.76334916,7.795018552,549.5323901,23.4421072,8.190890092,1.11306973,1.00064378,331.5214108,272.7662123,69.73389576,1.215404973,4.754092787,3.911529814,3.67262872,3.388655912,5.861398861,0.72971202,4.647708209,3.603957389,3.519073614,8.872005385,4.695111204,4.221743475,2.565742436,2.491566357,4.57963923,0.953531234,0.15088621,1.95E-18,4.98E-57,2.46E-117,2.35E-199,4.31E-303,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.415675113,3.764372081,0.338353645,4.30831195,1.198809635,0.290439974,0.412281017,0.346146793,0.480086193,0.006798866,0.001526705,1.37E-20,3.51E-59,1.73E-119,1.65E-201,3.04E-305,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.188089879,3.456980128,0.815314361,4.745295327,1.727316577,0.804210216,0.590180602,0.357257369,0.801999763,0.070079165,0.011606901,1.43E-19,3.66E-58,1.81E-118,1.72E-200,3.17E-304,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.674039895,3.768254368,3.84052697,8.884517196,4.415565681,3.910993505,2.628070969,2.331603409,5.117188688,0.849868668,0.136054024,1.73E-18,4.44E-57,2.19E-117,2.09E-199,3.84E-303,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.664911771,3.340479047,1.047565064,5.110937323,2.145098677,1.244267592,0.717301854,0.497919697,0.945886725,0.152039797,0.024197829,3.10E-19,7.94E-58,3.93E-118,3.74E-200,6.88E-304,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.845279363,3.710718199,4.683518737,10.68333688,5.804517829,5.565300664,3.575526887,3.549372247,6.557758556,1.390637358,0.220062671,2.84E-18,7.27E-57,3.59E-117,3.42E-199,6.29E-303,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.738611029,4.312224514,3.882547064,8.248451809,2.665991476,2.107987051,2.200114821,1.553686925,5.775531339,0.284874983,0.051481578,5.79E-19,1.48E-57,7.33E-118,6.98E-200,1.28E-303,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.315465053,1.516456811,0.328933792,0.642425457,0.293838253,0.577746574,0.604584528,0.421741817,5.160855656,6.617141946,13.43179762,0.463638185,1.604072919,3.266561453,0.752301359,0.065640723,0.799745042,0.184184284,0.564723891,0.147827217,0.016277999,4.084503536,2.721239684,6.967051269,0.699617563,0.728829107,2.904180283,1.086809141,0.173127947,0.697429977,0.260993878,0.444176715,0.311372561,0.117277909,4.164117371,3.847241483,8.557800806,0.546144966,0.872827185,3.423633869,1.471533352,0.31642459,0.656926711,0.282357753,0.615204444,0.571138907,0.391784122,5.211591811,6.586942703,13.39267888,0.485390067,1.578127472,2.846424811,1.236836017,0.224013898,0.660841249,0.287150483,0.427505943,0.399736356,0.196769738,4.307274726,4.435267899,9.531197155,0.491261874,1.024012037,3.408695935,1.564471086,0.347205069,0.640687508,0.294052946,0.610294082,0.644142513,0.469360681,5.32037209,7.059515031,14.23146448,0.461031262,1.723797277,3.405409413,1.47706086,0.317108349,0.654939498,0.284073185,0.608725041,0.575330782,0.393352171,5.199578621,6.578269041,13.37290169,0.482409247,1.577407994 +UMLS0099,L,3-methyl-2-buten-1-ol,CC(=CCO)C,11173,Co optima database valuese measured by NREL,Sandia,,C5H10O,PubChem,,19.5,0,2.2637,5.12433769,29.274,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,1177.401631,822.251307,218.184624,18.289152,0,0,0,2914.106344,3494.423905,4767.031769,5004.289918,2840.064045,559.5073998,0,0,0,125.864664,123.114164,212.497468,263.8227,348.629184,120.932352,0,0,0,22.06875486,27.30703172,38.44450508,44.88934373,32.70922922,8.003032287,0,0,0,2979.777961,2471.442353,4727.330133,5650.139899,8953.873689,3328.517736,0,0,0,38.5625,42,57.25,82.5,75,18,0,0,0,48.76541633,50.97680359,39.24672103,22.2230083,4.278129882,1.016064,0,0,0,161.8947969,205.5543474,158.901059,135.2510789,55.6875303,31.08374443,0,0,0,6.992481333,7.242009647,7.083248933,7.130343243,6.835866353,6.718464,0,0,0,1.226041937,1.606295984,1.281483503,1.213225506,0.641357436,0.444612905,0,0,0,165.54322,145.3789619,157.5776711,152.7064838,175.5661508,184.917652,0,0,0,2.142361111,2.470588235,1.908333333,2.22972973,1.470588235,1,0,0,0,0.041805491,-0.014031132,0.01376157,-0.030988727,-0.012418079,0.022773623,0,0,0,484.264036,-53.80711511,161.4213453,-672.5889389,80.71067267,242.132018,0,0,0,900.5096538,-100.0566282,300.1698846,-1250.707852,150.0849423,450.2548269,0,0,0,0.094864,-0.010540444,0.031621333,-0.131755556,0.015810667,0.047432,0,0,0,4.025697139,-0.447299682,1.341899046,-5.591246027,0.670949523,2.01284857,0,0,0,21.86765075,-2.429738973,7.289216918,-30.37173716,3.644608459,10.93382538,0,0,0,5.892361111,-2.589313272,2.912037037,-3.254436728,-2.184606481,2.170138889,0,0,0,0.002322527,-8.25E-04,4.59E-04,-8.38E-04,-2.43E-04,0.001265201,0,0,0,26.90355756,-3.165124418,5.380711511,-18.17807943,1.582562209,13.45177878,0,0,0,50.0283141,-5.885684011,10.00566282,-33.80291493,2.942842006,25.01415705,0,0,0,0.005270222,-6.20E-04,0.001054044,-0.003560961,3.10E-04,0.002635111,0,0,0,0.223649841,-0.026311746,0.044729968,-0.151114757,0.013155873,0.111824921,0,0,0,1.214869486,-0.142925822,0.242973897,-0.820857761,0.071462911,0.607434743,0,0,0,0.327353395,-0.152312545,0.097067901,-0.087957749,-0.042835421,0.120563272,0,0,0,-0.355371819,0.197508552,-0.360612847,-0.104839133,0.544751972,0,0,0,-0.117647059,0.2,-0.675675676,0.058823529,0.5,0,0,0,-0.117647059,0.2,-0.675675676,0.058823529,0.5,0,0,0,-0.117647059,0.2,-0.675675676,0.058823529,0.5,0,0,0,-0.117647059,0.2,-0.675675676,0.058823529,0.5,0,0,0,-0.117647059,0.2,-0.675675676,0.058823529,0.5,0,0,0,-0.465284759,0.296523276,-0.268693561,-0.130853756,0.368296995,0,0,0,1.620066961,0.653424154,1.538731167,0.897225731,0.175809531,0,0,0,1.5,0.920833333,1.837837838,0.625,0,0,0,0,1.5,0.920833333,1.837837838,0.625,0,0,0,0,1.5,0.920833333,1.837837838,0.625,0,0,0,0,1.5,0.920833333,1.837837838,0.625,0,0,0,0,1.5,0.920833333,1.837837838,0.625,0,0,0,0,1.803182086,0.465822039,1.291468251,1.187978786,0,0,0,0,17.50479896,8.75239948,12.38729701,17.50479896,2.917466493,8.752787923,-8.88E-15,0.031650066,0.005275011,-2.071809035,19.90374672,3.31729112,1.794544795,17.50479896,8.75239948,12.38729701,17.50479896,2.917466493,8.752787923,-8.88E-15,0.031650066,0.005275011,-2.071809035,19.90374672,3.31729112,1.794544795,17.50479896,8.75239948,12.38729701,17.50479896,2.917466493,8.752787923,-8.88E-15,0.031650066,0.005275011,-2.071809035,19.90374672,3.31729112,1.794544795,17.50479896,8.75239948,12.38729701,17.50479896,2.917466493,8.752787923,-8.88E-15,0.031650066,0.005275011,-2.071809035,19.90374672,3.31729112,1.794544795,17.50479896,8.75239948,12.38729701,17.50479896,2.917466493,8.752787923,-8.88E-15,0.031650066,0.005275011,-2.071809035,19.90374672,3.31729112,1.794544795,17.50479896,8.75239948,12.38729701,17.50479896,2.917466493,8.752787923,-8.88E-15,0.031650066,0.005275011,-2.071809035,19.90374672,3.31729112,1.794544795,27.90831543,13.75554661,19.36557169,27.64350062,4.607250103,13.75554882,-0.397222222,0.097385288,0.016230881,-1.397448076,21.54508427,3.590847378,1.842088609,0,11.79,12.21003864,-0.304077287,0.116294059,5.445299596,8.439502485,5,17,16,16,4,1,1,0,0,1,13.118484,3.559595674,2.810292559,2.333552793,2.333552793,1.229078407,0.405152309,0.083923071,0.083923071,1.901745452,1.399051877,1.249629723,1.249629723,0.451552408,0.083923071,0.083923071,0.083923071,3.580871496,2.850375932,2.405454588,2.405454588,1.327202193,0.521938912,0.270913902,0.270913902,1.848223016,1.315586623,1.134540686,1.134540686,0.303837187,0.270913902,0.270913902,0.270913902,3.677524158,3.027651915,2.704236987,2.704236987,1.734420258,0.962615914,0.943918427,0.943918427,1.697428799,1.062968109,0.76031856,0.76031856,0.189939944,0.943918427,0.943918427,0.943918427,3.596710865,2.880008542,2.457539916,2.457539916,1.398418513,0.603988134,0.399277246,0.399277246,1.814714325,1.261729295,1.058262671,1.058262671,0.204850698,0.399277246,0.399277246,0.399277246,3.726436429,3.113625125,2.838982085,2.838982085,1.91549993,1.207644823,1.207644823,1.207644823,1.652553019,0.98273017,0.631337262,0.631337262,0.364410565,1.138245609,1.207644823,1.207644823,3.574635334,3.026751418,2.483972303,2.483972303,1.48022226,0.530922458,0.489795918,0.489795918,1.880062258,1.100553661,1.014584548,1.014584548,0.121711469,0.489795918,0.489795918,0.489795918,0,0,1,1,0,3,0,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.366025404,0.288675135,0,0,1.060660172,0.353553391,0,0.612372436,0.204124145,0,5.207106781,2.560660172,2.914213562,1.060660172,0,0,0,0,0.86785113,0.512132034,0.416316223,0.353553391,0,0,0,0,4.78445705,2.196923425,2.570149549,0.612372436,0,0,0,0,0.797409508,0.439384685,0.367164221,0.204124145,0,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,24,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,3,0,0,2,0,0,0,0,0,0,0,0,3,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.569444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375347222,0.304166667,0,0,0.730208333,0,0,0.679513889,0,0,0,0,0,0,0,0,6.375,3.631944444,0,0,1.9375,0,0,0,0,0,0,0,0.305555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.9375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375347222,0.304166667,0,0,0.243402778,0,0,0.304166667,0,0,0,0,0,0,0,0,2.125,3.631944444,0,0,1.9375,0,0,0,0,0,0,0,0.305555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.631944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375347222,0.304166667,0,0,0.243402778,0,0,0.375347222,0,0,0,0,0,0,0,0,2.125,3.631944444,0,0,1.9375,0,0,0,0,0,0,0,0.305555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.25,2.041666667,0.375347222,3.631944444,0.090277778,0.305555556,4.526319444,0.944444444,0.631944444,2.013888889,0.944444444,0.631944444,2.013888889,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.66667,0,0.16667,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,5.01036,0.83506,6.37132,1.36096,0.22683,2.03867,0.33978,2.56066,0.52199,0.087,0.35334,0.05889,0.35334,0.05889,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.056641667,2.209690973,2.209690973,1.746365973,0.852213889,16.52932501,37.01955001,39.77443751,39.77443751,31.43458751,15.33985,0.220218789,0.493208311,0.529911443,0.529911443,0.418800331,0.204371515,3.251629167,2.113283334,1.960234029,1.960234029,2.423559029,3.317711112,0.220218789,0.493208311,0.529911443,0.529911443,0.418800331,0.204371515,6.73287657,14.44788584,14.60213276,14.60213276,9.042232759,0.85888249,23.69925001,17.71729375,17.36090278,17.36090278,14.58095278,5.204427778,6,1.632653061,5.333333333,6,2,4,2.12,0.911,2.449489743,2.37841423,0,3.363585661,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.159,0.147,0.088,0.146,2.249,7,3,0,0,0,0,0,0,0,21,1.945910149,2.197224577,1.945910149,0,0,0,0,0,0,0,3.295836866,1.238095238,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,3,0.5,3,0.666666667,0,0,0,0,0,0,0,0,0.6,0.095238095,0,0,0,0,0,0,0,0,0.695238095,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,0,109.6959078,3.584962501,3.218875825,3.80666249,4.634728988,5.252273428,6.084499413,6.708084084,7.5416831,8.166500319,9.000483165,65.41379081,2.397895273,0,3.663561646,0,5.081404365,0,6.532334292,0,7.989899375,8.256088134,84.09390038,4.671883355,10.46599026,1.74433171,0,0,0,28,3,3.166,24,1.219,2.121740888,2.976050395,3.459685345,4.07405775,0,0,0,0,0,72.30904117,95.24692031,69.16051878,15.4841909,4.139503414,0,0,0,0,0,274.3286679,370.6140945,410.285089,197.8143536,126.6369699,0,0,0,0,0,8.860546952,15.10169822,21.23438463,23.67453541,27.37141033,0,0,0,0,0,2.086978642,2.920995711,3.655414286,2.26010113,1.811378651,0,0,0,0,0,175.1912326,329.1418037,453.4979336,605.4450588,753.3651933,0,0,0,0,0,3.060529412,4.295449187,6.73112311,5.17692134,4.07405775,0,0,0,0,0,0.432999265,0.6112891,0.778667145,0.502763447,0.417183514,0,0,0,0,0,335.9896691,126.874683,10.67879275,105.8876095,-39.98473203,-6.701505292,230.1020596,166.859415,17.38029804,0.760368739,0.287126515,0.024166875,0.239631261,-0.090488319,-0.015165988,148.4662006,56.06303964,4.718715879,46.7893287,-17.66834457,-2.961242921,0.151369829,0.270458775,4.282873031,4.984260349,441.8772786,0,1,0,331.0578085,18.19499405,6.917799096,447.9391783,21.16457366,7.651378443,537.7963945,23.19043756,8.132160886,1.261634404,1.046346666,184.3227132,181.6081837,110.7545456,1.014947176,1.664245131,1.639735712,3.400819811,3.202420028,5.261876621,0.64309384,3.591793317,3.914899098,3.80939856,14.20215815,5.409798528,4.950629215,7.378137317,3.651959499,0.876159451,0.006350349,3.46E-24,3.76E-67,8.06E-132,3.41E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.301445031,3.914692083,0.165630573,6.998403852,2.05385036,0.254348843,0.33346884,0.11706845,0.006170864,4.47E-05,2.44E-26,2.65E-69,5.68E-134,2.40E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.973075264,3.914706317,0.636194058,8.148183727,2.342381706,0.920233596,1.263423184,0.502722304,0.06430515,4.66E-04,2.54E-25,2.76E-68,5.92E-133,2.50E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390360553,3.914876511,3.489678022,13.6477106,5.064085033,4.559569466,6.767149703,3.316728267,0.780642298,0.005658047,3.09E-24,3.35E-67,7.18E-132,3.04E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.434128364,3.914724408,1.040342024,9.032682145,2.658175287,1.46425907,2.052647167,0.867195101,0.139679376,0.001012387,5.52E-25,5.99E-68,1.29E-132,5.44E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.337608177,3.914993983,5.102920519,16.38382917,6.849080084,6.516128451,9.844405801,5.028089834,1.277796212,0.009261388,5.05E-24,5.48E-67,1.18E-131,4.98E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.896350131,2.406801239,1.27391149,9.556537797,3.807983562,2.127455247,3.040034627,1.315610492,0.210190693,0.001523449,8.31E-25,9.01E-68,1.93E-132,8.19E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.092492322,1.247639703,1.10663235,0.470565145,0.280572479,0.411198356,0.447884561,0.416315303,4.446764374,6.306974649,13.64279809,0.205847717,1.27539822,1.529798601,0.678356489,0.64229622,0.536686452,0.237982135,0.218891299,0.132806647,0.14024299,2.85045131,2.456038475,5.973031922,0.305029679,0.491940936,1.75143592,0.906302779,0.826716346,0.502642708,0.260098858,0.286712692,0.237244378,0.232340366,3.484455045,3.784527267,8.581254996,0.253964062,0.756297436,2.078374949,1.233732444,1.095136768,0.471581531,0.279932856,0.405533514,0.438076903,0.407710801,4.40724416,6.191369189,13.40671772,0.207372297,1.251321218,1.851010025,1.007127044,0.908919536,0.491367723,0.267351184,0.320453635,0.292823756,0.280843079,3.767056604,4.462018872,9.923485324,0.237051584,0.894120471,2.136751205,1.291118479,1.142621928,0.467510147,0.282490066,0.42925659,0.479196195,0.443834687,4.570491612,6.675558033,14.39831384,0.20126522,1.352287472,2.091935876,1.231624594,1.093033113,0.473653696,0.278863013,0.410665732,0.436737589,0.406145589,4.416593583,6.20924132,13.4420125,0.210480545,1.253548909 +UMLS0100,L,"3,3-Dimethyl-1-Butene",CC(C)(C)C=C,11210,,"Sandia, UML",[1],C6H12,PubChem,,18.4,0,1.794,3.218436,38.243,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1725.25417,1819.067553,932.493074,215.393472,18.289152,0,0,3947.642614,5029.877407,7256.714489,9003.594936,7765.04691,3521.617762,559.5073998,0,0,181.25648,180.900988,339.488488,447.426756,626.264264,548.9856,120.932352,0,0,30.31423229,39.56609758,59.5007813,77.20431588,78.15030588,44.04082215,8.003032287,0,0,4342.872585,3643.766351,7595.322043,9791.308033,14936.58687,14596.78856,3328.517736,0,0,43.59027778,51.20833333,76.58333333,113.0833333,141,93,18,0,0,45.09238923,49.11105724,35.94279521,28.87408814,10.36103416,2.659178667,1.016064,0,0,151.8324082,201.1950963,151.1815518,142.9142053,86.278299,43.4767625,31.08374443,0,0,6.971403077,7.23603952,7.072676833,7.102012,6.958491822,6.7776,6.718464,0,0,1.165932011,1.582643903,1.23959961,1.225465331,0.868336732,0.543713854,0.444612905,0,0,167.033561,145.7506541,158.2358759,155.4175878,165.9620764,180.2072662,184.917652,0,0,1.676549145,2.048333333,1.595486111,1.794973545,1.566666667,1.148148148,1,0,0,0.034866384,-0.010133835,0.011691591,-0.011210056,-0.038740398,0.021336381,0.009623126,0,0,670.5194345,-58.02572029,196.2845353,-423.372848,-737.8579247,481.3985683,206.3136721,0,0,1246.859521,-107.9013047,364.999475,-787.2798896,-1372.078319,895.1811943,383.6490833,0,0,0.131350154,-0.01136684,0.038450793,-0.082935834,-0.144541302,0.094302675,0.040415432,0,0,5.574042193,-0.482369036,1.63171748,-3.51950741,-6.133828482,4.001876446,1.715089906,0,0,30.27828566,-2.620236259,8.863515246,-19.11802011,-33.31905366,21.73825637,9.316395587,0,0,4.000267094,-2.449776052,1.59566075,0.779801529,-4.537783531,1.626571746,0.985392012,0,0,0.001341015,-4.05E-04,2.44E-04,-1.78E-04,-4.30E-04,2.63E-04,5.35E-04,0,0,25.78920902,-2.321028812,4.089261152,-6.720203937,-8.198421385,5.943192202,11.46187067,0,0,47.95613541,-4.316052187,7.60415573,-12.49650618,-15.24531465,11.05161968,21.31383796,0,0,0.005051929,-4.55E-04,8.01E-04,-0.001316442,-0.001606014,0.001164231,0.002245302,0,0,0.214386238,-0.019294761,0.033994114,-0.055865197,-0.06815365,0.049405882,0.095282773,0,0,1.164549448,-0.10480945,0.184656568,-0.303460637,-0.370211707,0.268373535,0.517577533,0,0,0.153856427,-0.097991042,0.033242932,0.012377802,-0.050419817,0.020081133,0.054744001,0,0,-0.302273636,0.181634695,-0.132688618,-0.32098742,0.196427447,0.398666838,0,0,-0.09,0.158564815,-0.260582011,-0.317901235,0.230452675,0.444444444,0,0,-0.09,0.158564815,-0.260582011,-0.317901235,0.230452675,0.444444444,0,0,-0.09,0.158564815,-0.260582011,-0.317901235,0.230452675,0.444444444,0,0,-0.09,0.158564815,-0.260582011,-0.317901235,0.230452675,0.444444444,0,0,-0.09,0.158564815,-0.260582011,-0.317901235,0.230452675,0.444444444,0,0,-0.636899246,0.216064632,0.080450341,-0.327706928,0.130518647,0.355812245,0,0,1.839613515,0.813451866,1.335392317,1.371650036,0.399818906,2.34E-05,0,0,1.625,1.03443287,1.50462963,1.253858025,0.33436214,0,0,0,1.625,1.03443287,1.50462963,1.253858025,0.33436214,0,0,0,1.625,1.03443287,1.50462963,1.253858025,0.33436214,0,0,0,1.625,1.03443287,1.50462963,1.253858025,0.33436214,0,0,0,1.625,1.03443287,1.50462963,1.253858025,0.33436214,0,0,0,2.242905789,0.591323362,1.098430292,1.487169215,0.462932051,0,0,0,32.1365591,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,-3.55E-15,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,32.1365591,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,-3.55E-15,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,32.1365591,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,-3.55E-15,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,32.1365591,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,-3.55E-15,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,32.1365591,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,-3.55E-15,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,32.1365591,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,-3.55E-15,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,45.86205434,22.77937786,33.01612541,45.63458038,5.704322548,22.77937787,-0.303298611,0.00513957,6.42E-04,-4.216628627,32.5909734,4.073871675,2.787228288,0,11.89,12.11011416,-0.162354296,0.058720949,5.755742675,9.528253252,7,25,25,25,7,0,0,0,0,0,19.677726,3.622049278,3.017844806,2.716158568,2.333552793,2.333552793,1.741838948,1.305878985,0.391568215,1.964591417,1.618912912,1.450314259,1.249629723,1.249629723,0.835507992,0.506396866,0.083923071,3.643752304,3.060024786,2.770106129,2.405454588,2.405454588,1.830292954,1.405414736,0.510463099,1.911819164,1.535284781,1.352549382,1.134540686,1.134540686,0.70251216,0.363319011,0.270913902,3.741623954,3.24368199,3.000843817,2.704236987,2.704236987,2.193881938,1.809666382,0.961632677,1.761636631,1.279808803,1.045387453,0.76031856,0.76031856,0.261222531,0.116316794,0.943918427,3.659872133,3.091035019,2.809552763,2.457539916,2.457539916,1.894186476,1.477033546,0.594204588,1.878649112,1.481159244,1.288577317,1.058262671,1.058262671,0.613685355,0.26742727,0.399277246,3.790718189,3.331417547,3.108532056,2.838982085,2.838982085,2.355147861,1.986515781,1.207644823,1.716449518,1.197532556,0.943532502,0.631337262,0.631337262,0.10588789,0.287439435,1.141855713,3.608395979,3.147943432,2.91771574,2.607254599,2.607254599,1.965042481,1.512906426,0.613075668,1.917197079,1.408442197,1.166882854,0.903112587,0.903112587,0.511894579,0.192615678,0.568047337,0,0,0,0,0,5,1,1,1,0,0,0,0,0,0,0,0,0,0,1.33915195,0.204124145,0.696923425,0.204124145,1.33915195,0.204124145,0.696923425,0.204124145,2.937122946,1.632993162,0.40824829,2.937122946,1.632993162,0.40824829,6.78445705,3.504035845,3.496835125,2.474179755,0.40824829,0,0,0,0.848057131,0.500576549,0.349683512,0.274908862,0.204124145,0,0,0,6.78445705,3.504035845,3.496835125,2.474179755,0.40824829,0,0,0,0.848057131,0.500576549,0.349683512,0.274908862,0.204124145,0,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,41,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,5,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,11.44675926,0,1.282407407,0,0,0,0.8125,0,0,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.25,0,1.282407407,0,0,0,0.8125,0,0,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.31712963,0,1.282407407,0,0,0,0.8125,0,0,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.08333333,1.760416667,0.2,2.31712963,0,0.541666667,6.041141204,0.708333333,0.31712963,2.893518519,0.708333333,0.31712963,2.893518519,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.625,0.125,0.125,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.90646,1.23831,9.90646,0,0,3.50403,0.438,3.50403,0,0,0.40997,0.05125,0.40997,0.05125,0,7,0,0,0,0,0,0,1,0.89049164,1.36704393,2.215695144,3.093730583,2.91294444,2.266722945,23.15278265,35.54314217,57.60807374,80.43699516,75.73655544,58.93479657,0.189448582,0.290833201,0.471380398,0.658178972,0.619717434,0.482236361,3.809948078,3.333395788,2.484744574,1.606709135,1.787495278,2.433716773,0.191756937,0.294376887,0.477123979,0.66619862,0.627268443,0.488112218,6.648700044,12.36732752,16.43979251,17.32469861,15.15526489,7.400606951,31.72521615,23.58736256,18.78778503,18.85721203,17.77249518,12.18727095,8,2.52,2.222222222,8,0,5,2.34,1.2358,3.412787518,2.44179671,3.041821709,3.298769777,0,0.5,1,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.131,0.009,0.004,3.126,10,9,2,0,0,0,0,0,0,36,2.079441542,2.397895273,2.302585093,1.098612289,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,7,1,0,2,4,1,3.5,1.777777778,0.25,0,0,0,0,0,0,0,0.5,0.177777778,0.027777778,0,0,0,0,0,0,0,0.705555556,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,0,146.9243357,4,3.555348061,4.290459441,5.105945474,5.883322388,6.693323668,7.479299638,8.287780027,9.075779879,9.883743923,75.2550025,2.708050201,0,4.007333185,0,5.517452896,0,7.089243155,0,8.678461339,8.908829792,114.1408506,4.390032714,14.27167969,1.783959961,0,0,0,62,9,4.807,34,1.2278,2.115728773,2.94006452,3.495078547,3.960158296,5.352201744,0,0,0,0,71.2221278,87.331823,90.76614616,40.07092916,12.24973369,5.438179512,0,0,0,0,272.5498825,351.7650236,436.7934354,313.1323918,185.1399746,166.3664711,0,0,0,0,8.919363223,15.034845,20.91738018,24.34899754,26.90223475,35.95857474,0,0,0,0,2.081648384,2.816384767,3.703871043,3.107316383,2.256868643,2.379657965,0,0,0,0,176.77647,329.6995075,454.2860946,577.9659107,708.7214705,989.7165796,0,0,0,0,2.556545,3.529969946,5.379087259,5.544585645,4.701835477,5.352201744,0,0,0,0,0.4321989,0.591022767,0.783880527,0.675142421,0.50757499,0.548065459,0,0,0,0,361.8060994,156.7206893,8.626990043,122.9327786,-53.24982033,-7.258668605,238.8733209,209.9705096,15.88565865,0.746393813,0.32330951,0.01779719,0.253606187,-0.109852588,-0.014974389,175.3814827,75.96861108,4.181837474,59.59029715,-25.81225816,-3.518558875,0.069405412,0.149558028,1.037923558,7.506623699,484.738878,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,811.9535639,28.49479889,9.329185547,1.356712851,1.205835205,385.4692723,331.8864454,174.2415472,1.161449278,2.212269567,1.904749187,3.936296879,3.220218461,6.42424645,0.994972244,5.020209962,6.639714264,3.020041699,38.63538881,6.684528745,10.00785152,12.99570358,15.46305349,7.191345344,5.573905442,0.884220332,1.126710553,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327169,0.1713391,11.35274616,3.018364978,0.274203139,0.932381415,0.741530714,1.029052181,0.076364869,0.006228704,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639353744,0.607209483,15.32927936,3.285757868,1.257832565,2.816475944,2.720019041,1.522733019,0.504429204,0.064899514,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639672015,2.794133979,36.40181394,6.289944898,9.057060053,12.05261696,14.19867485,6.543754522,4.991800042,0.787825132,1.003878818,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.639387557,0.949655624,18.5318719,3.612118506,2.230938845,4.281553066,4.382974884,2.088528686,1.004374875,0.140967789,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.639891756,3.914964529,47.54495401,8.338680779,13.93117177,16.71981258,20.55679393,9.896033041,8.007983207,1.289548769,1.643201451,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.089828701,5.164751003,1.235249383,23.11181868,4.914117434,4.081148205,6.794334343,6.894160715,3.435649929,1.954321182,0.285322735,0.363564457,2.59E-15,3.56E-51,9.43E-109,4.82E-188,4.75E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.083265924,1.573102219,1.001985188,0.544905159,0.278014137,0.48053678,0.487599696,0.427589901,5.65835333,9.515904373,20.03417891,0.317357739,1.395726377,2.379156062,0.998022869,0.530265101,0.608877835,0.255415781,0.28582138,0.195520592,0.120825583,3.907444032,4.165252286,9.331785432,0.413316752,0.602167555,2.669323671,1.234971003,0.724803669,0.576640087,0.266784352,0.359942564,0.299817435,0.224854755,4.629098342,6.126384433,13.14482513,0.36496013,0.884614754,3.066858087,1.559697598,0.991004705,0.545941276,0.277646788,0.47542385,0.479280106,0.418346245,5.61756039,9.368309642,19.72621339,0.318911914,1.3730502,2.794081019,1.336868654,0.808380826,0.56568011,0.270657866,0.394448141,0.351573329,0.279260645,4.9393305,7.074699841,15.03359087,0.348520165,1.025282115,3.134319901,1.61481226,1.036148576,0.541774901,0.27912427,0.496621833,0.513950449,0.456987284,5.785280737,9.982144731,21.01172384,0.312662352,1.467559566,3.07439857,1.56374209,0.992437808,0.546018244,0.277723168,0.477846765,0.481975712,0.419390873,5.630578468,9.410632594,19.81242177,0.319027367,1.37921335 +UMLS0101,L,"2,3,3-Trimethylpentane",CCC(C)(C)C(C)C,11215,,"Sandia, UML","[1], [9]",C8H18,PubChem,,6.7,0,2.375,5.640625,38.4044,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1674.79369,1752.435729,872.888018,192.10968,15.24096,0,0,3885.475125,4800.404174,6735.600534,8243.409388,6964.179256,3064.959957,466.2561665,0,0,167.819552,166.665724,297.581032,371.527812,523.890632,467.964864,100.77696,0,0,29.42500648,37.33900896,54.15737825,68.9689169,68.80538669,38.03653589,6.669193573,0,0,3973.037281,3337.521256,6612.996548,7916.189382,12290.00251,12409.57184,2773.76478,0,0,47.59027778,53.29166667,74.75,110.1666667,133.5,83,15,0,0,48.76541633,52.3287937,39.87604024,33.7006871,11.63850691,2.784198261,1.016064,0,0,161.8947969,208.713225,160.3714413,158.5271036,92.85572342,44.41970952,31.08374443,0,0,6.992481333,7.246335826,7.085262667,7.144765615,6.985208427,6.782099478,6.718464,0,0,1.226041937,1.623435172,1.289461387,1.326325325,0.917405156,0.551254143,0.444612905,0,0,165.54322,145.1096198,157.4522988,152.2344112,163.8667002,179.8488673,184.917652,0,0,1.982928241,2.317028986,1.779761905,2.118589744,1.78,1.202898551,1,0,0,0.044534898,-0.012179694,0.014776509,-0.013515574,-0.049483126,0.025075441,0.013058995,0,0,645.6853813,-53.80711511,242.132018,-430.4569209,-766.7513903,484.264036,201.7766817,0,0,1200.679538,-100.0566282,450.2548269,-800.4530256,-1425.806952,900.5096538,375.2123557,0,0,0.126485333,-0.010540444,0.047432,-0.084323556,-0.150201333,0.094864,0.039526667,0,0,5.367596186,-0.447299682,2.01284857,-3.578397457,-6.374020471,4.025697139,1.677373808,0,0,29.15686767,-2.429738973,10.93382538,-19.43791178,-34.62378036,21.86765075,9.111521147,0,0,6.464988426,-2.855625482,2.617115162,0.29923804,-6.988679109,2.262984664,1.432472512,0,0,0.001855621,-5.30E-04,3.52E-04,-2.60E-04,-6.60E-04,3.63E-04,8.71E-04,0,0,26.90355756,-2.339439787,5.765048048,-8.278017709,-10.22335187,7.018319362,13.45177878,0,0,50.0283141,-4.350288182,10.72035302,-15.39332741,-19.01075936,13.05086455,25.01415705,0,0,0.005270222,-4.58E-04,0.001129333,-0.001621607,-0.002002684,0.001374841,0.002635111,0,0,0.223649841,-0.019447812,0.047924966,-0.068815336,-0.08498694,0.058343437,0.111824921,0,0,1.214869486,-0.105640825,0.260329176,-0.373805996,-0.461650405,0.316922475,0.607434743,0,0,0.269374518,-0.12415763,0.062312266,0.005754578,-0.093182388,0.032796879,0.095498167,0,0,-0.28537722,0.189597818,-0.140068972,-0.355554881,0.195844001,0.469168953,0,0,-0.086956522,0.214285714,-0.307692308,-0.38,0.260869565,0.5,0,0,-0.086956522,0.214285714,-0.307692308,-0.38,0.260869565,0.5,0,0,-0.086956522,0.214285714,-0.307692308,-0.38,0.260869565,0.5,0,0,-0.086956522,0.214285714,-0.307692308,-0.38,0.260869565,0.5,0,0,-0.086956522,0.214285714,-0.307692308,-0.38,0.260869565,0.5,0,0,-0.460910819,0.23132205,0.02136274,-0.345921318,0.121751974,0.354518194,0,0,1.615495975,0.752439869,1.325485718,1.394606186,0.467223826,0.098796855,0,0,1.5,0.924107143,1.534254808,1.3225,0.34375,0,0,0,1.5,0.924107143,1.534254808,1.3225,0.34375,0,0,0,1.5,0.924107143,1.534254808,1.3225,0.34375,0,0,0,1.5,0.924107143,1.534254808,1.3225,0.34375,0,0,0,1.5,0.924107143,1.534254808,1.3225,0.34375,0,0,0,1.856151815,0.483232204,1.168770808,1.555472407,0.515597726,0,0,0,30.32933295,15.16466648,21.27905626,30.32933295,3.791166619,15.16466725,-1.95E-14,0.095880957,0.01198512,-1.87571831,54.6898028,6.83622535,3.201341817,30.32933295,15.16466648,21.27905626,30.32933295,3.791166619,15.16466725,-1.95E-14,0.095880957,0.01198512,-1.87571831,54.6898028,6.83622535,3.201341817,30.32933295,15.16466648,21.27905626,30.32933295,3.791166619,15.16466725,-1.95E-14,0.095880957,0.01198512,-1.87571831,54.6898028,6.83622535,3.201341817,30.32933295,15.16466648,21.27905626,30.32933295,3.791166619,15.16466725,-1.95E-14,0.095880957,0.01198512,-1.87571831,54.6898028,6.83622535,3.201341817,30.32933295,15.16466648,21.27905626,30.32933295,3.791166619,15.16466725,-1.95E-14,0.095880957,0.01198512,-1.87571831,54.6898028,6.83622535,3.201341817,30.32933295,15.16466648,21.27905626,30.32933295,3.791166619,15.16466725,-1.95E-14,0.095880957,0.01198512,-1.87571831,54.6898028,6.83622535,3.201341817,47.05147813,23.28615573,33.8090102,46.69210313,5.836512891,23.28615573,-0.479166667,0.160499932,0.020062492,-1.463569407,124.7979124,15.59973905,3.861356583,0,11.89,12.11011416,-0.169851788,0.052379707,5.800930724,9.709003039,7,23,22,22,6,1,1,0,0,1,17.491312,3.645890372,3.040077456,2.715907337,2.333552793,2.225611078,1.727395753,0.934953528,0.083923071,1.946196959,1.585881726,1.442678078,1.249629723,1.113330782,0.829074135,0.046941509,0.083923071,3.663852035,3.076401434,2.769122508,2.405454588,2.294554824,1.816619538,1.026966315,0.270913902,1.897662984,1.506650492,1.345612098,1.134540686,1.001144093,0.695337729,0.153460251,0.270913902,3.746648659,3.238239553,2.997091621,2.704236987,2.582868395,2.183230991,1.391000114,0.943918427,1.763946484,1.270762782,1.041166676,0.76031856,0.637231996,0.251088939,0.544709677,0.943918427,3.677285267,3.103308984,2.808054168,2.457539916,2.344619846,1.881064997,1.092733933,0.399277246,1.8675531,1.455866064,1.282137378,1.058262671,0.926845423,0.605977503,0.227698502,0.399277246,3.789305397,3.317599837,3.103681468,2.838982085,2.713579917,2.345708109,1.543068513,1.207644823,1.725067164,1.197016819,0.940413783,0.631337262,0.512299954,0.094537668,0.694616262,1.207644823,3.659820782,3.17422618,2.847719536,2.534061497,2.529754755,1.891306762,1.076165197,0.518918919,1.931807051,1.391654029,1.218016018,0.972997998,0.730298594,0.558993282,0.204225777,0.518918919,0,0,1,0,1,4,1,0,1,0,0,0,0,0,0,0,0,0,0,1.33915195,0.204124145,0.696923425,0.204124145,1.133883476,0.176776695,0.426776695,0.125,2.937122946,1.632993162,0.40824829,2.215990258,1.207106781,0.25,6.78445705,3.504035845,3.496835125,2.474179755,0.40824829,0,0,0,0.848057131,0.500576549,0.349683512,0.274908862,0.204124145,0,0,0,6.414213562,3.164213562,3.017766953,2.039213562,0.301776695,0,0,0,0.801776695,0.452030509,0.301776695,0.226579285,0.150888348,0,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,41,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,4,1,0,1,0,0,0,0,0,0,0,0,4,1,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.175416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337569444,0,0,0,0.955833333,0.290277778,0,0.337569444,0,0,0,0,0,0,0,0,8.711157407,3.897638889,1.18287037,0,0,0,0,0,0,1.277777778,0,0,0.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.277777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337569444,0,0,0,0.225625,0.290277778,0,0.337569444,0,0,0,0,0,0,0,0,2.086805556,3.897638889,1.18287037,0,0,0,0,0,0,1.277777778,0,0,0.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.897638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337569444,0,0,0,0.243402778,0.290277778,0,0.337569444,0,0,0,0,0,0,0,0,2.217592593,3.897638889,1.18287037,0,0,0,0,0,0,1.277777778,0,0,0.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.41666667,1.927083333,0.337569444,3.897638889,0.026041667,0.347222222,5.477715463,0.902777778,0.897638889,3.217592593,0.902777778,0.897638889,3.217592593,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.625,0.125,0.125,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,8.36855,1.04607,9.90646,1.53791,0.19224,2.98968,0.37371,3.50403,0.51435,0.06429,0.40997,0.05125,0.40997,0.05125,0,7,0,0,0,0,0,0,0.75,0.918295834,2.082551817,2.948120313,3.29248125,3.101441146,2.420614063,22.03910002,49.98124361,70.7548875,79.01955001,74.43458751,58.09473751,0.200284263,0.45421349,0.642997693,0.718104292,0.676437625,0.527946316,3.666666667,2.502410684,1.636842188,1.29248125,1.483521355,2.164348438,0.200284263,0.45421349,0.642997693,0.718104292,0.676437625,0.527946316,6.73287657,16.72064472,18.85474488,19.20180045,16.9093192,8.739394199,31.59900002,19.42915877,17.55814531,16.90739375,15.76115313,9.883709376,8,2.52,2.222222222,8,2,5,2.34,1.1928,3.412787518,2.44179671,3.041821709,3.298769777,0,0.5,1,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.155,0.135,0.064,0.154,3.224,10,9,2,0,0,0,0,0,0,36,2.197224577,2.564949357,2.564949357,1.386294361,0,0,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,2,4,1,3.5,1.777777778,0.25,0,0,0,0,0,0,0,0.5,0.177777778,0.027777778,0,0,0,0,0,0,0,0.705555556,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,0,144.287877,4,3.555348061,4.290459441,5.105945474,5.883322388,6.693323668,7.479299638,8.287780027,9.075779879,9.883743923,75.2550025,2.708050201,0,4.007333185,0,5.517452896,0,7.089243155,0,8.678461339,8.908829792,112.1252005,4.671883355,14.27167969,1.783959961,0,0,0,62,9,3.797,34,1.226391304,2.122900714,2.986940732,3.557287548,4.014366793,5.488026661,0,0,0,0,74.73814722,97.10565861,107.1570335,45.63114632,13.04998903,5.576186321,0,0,0,0,280.6431588,375.1157751,490.7501334,342.4052007,192.4453889,170.5884182,0,0,0,0,8.920641989,15.11622491,21.37477234,24.87583854,27.2932516,36.87110955,0,0,0,0,2.124868553,2.946208097,4.062875384,3.337299696,2.32591414,2.440047476,0,0,0,0,175.8569114,328.9219057,452.3638573,580.94681,716.6093511,1014.833004,0,0,0,0,2.89088587,3.986875028,6.469793595,6.432028904,5.027815032,5.488026661,0,0,0,0,0.4404825,0.616181095,0.855965561,0.722676917,0.522370913,0.56197393,0,0,0,0,348.9531894,158.8521896,9.705028282,133.9083579,-60.95842224,-8.483925925,215.0448315,219.8106118,18.18895421,0.722677528,0.328980824,0.020098988,0.277322472,-0.126244102,-0.017570101,168.496077,76.70361406,4.686184973,64.6591969,-29.43447808,-4.0965616,0.117411716,0.217912793,2.779204782,4.961617959,482.8615473,0,1,0,457.3961477,21.38682182,7.704849633,612.8133496,24.75506715,8.493944243,832.2610619,28.84893519,9.406322372,1.310033407,1.307020727,381.1547756,327.4634165,168.4330712,1.163961397,2.262944996,1.944175299,3.932935908,3.477616438,6.454645435,0.856054442,4.625737202,5.862564001,5.322425394,23.60146056,4.574061019,12.1642818,16.33505772,9.716878806,6.08715318,1.660041817,0.11409806,1.628283808,2.42E-13,6.96E-48,3.86E-104,4.12E-182,8.49E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0.388216777,5.862268085,0.211286176,10.00384991,2.944448323,2.568149857,1.004465443,0.430300725,0.965888836,0.023785442,8.35E-04,0.011468136,1.71E-15,4.90E-50,2.72E-106,2.90E-184,5.98E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,1.253185036,5.862288441,0.83716146,12.07653784,3.075245802,4.04123587,3.215753356,1.641452381,1.430483802,0.152908554,0.008454788,0.119506819,1.78E-14,5.11E-49,2.83E-105,3.02E-183,6.23E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,4.366319238,5.862531718,4.861856736,22.52037094,4.402892562,11.40499276,15.07176733,8.906230043,5.568177887,1.487394554,0.101680928,1.450771558,2.16E-13,6.20E-48,3.44E-104,3.67E-182,7.57E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,1.84695863,5.862314305,1.390745027,13.70807106,3.224965005,5.196674384,5.00631019,2.676093511,1.921854614,0.30237817,0.018287696,0.25958478,3.87E-14,1.11E-48,6.15E-105,6.57E-183,1.35E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,5.586245157,5.862699617,7.195370179,27.88657637,5.288895487,15.17067686,21.38119689,12.99326799,8.241964001,2.381568909,0.166298926,2.374698905,3.54E-13,1.02E-47,5.63E-104,6.01E-182,1.24E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,2.610296131,4.0739198,1.75552103,14.44297763,3.625608274,7.763409235,7.345646388,3.726809192,2.591791539,0.489369501,0.030833896,0.438459126,6.53E-14,1.87E-48,1.04E-104,1.11E-182,2.29E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,3.222750447,1.57201969,0.968489718,0.559188815,0.272765714,0.467620538,0.444066256,0.404056709,5.763259854,9.709912734,20.3797615,0.338783222,1.315743502,2.418661936,0.997774255,0.511587963,0.615745179,0.254014287,0.267585352,0.190442795,0.112743821,3.928024154,4.161086243,9.323714685,0.423617769,0.570771968,2.736652427,1.227213222,0.693054555,0.587652849,0.26352464,0.339868257,0.280641802,0.206912652,4.656920204,6.105631187,13.09014465,0.381479274,0.827422711,3.202716834,1.557929633,0.957178122,0.560128557,0.272468945,0.461938568,0.43675302,0.394673364,5.717824589,9.546394107,20.0401618,0.340192835,1.293364952,2.879011048,1.328866463,0.773941664,0.577903562,0.266743215,0.375106414,0.325414265,0.2580291,4.981819175,7.082472951,15.02525457,0.366855344,0.958549779,3.2855056,1.616096636,1.003903303,0.556346206,0.273659321,0.485652887,0.467287315,0.434146264,5.905505539,10.23042922,21.46635465,0.334519309,1.387086466,3.207133426,1.566052614,0.956960371,0.559694848,0.273300628,0.463689719,0.443794757,0.3944938,5.730146411,9.590289568,20.12680742,0.339542272,1.301978275 +UMLS0102,L,"2,3,3-Trimethyl-1-Pentene",CCC(C)(C)C(=C)C,11216,,"Sandia, UML",[1],C8H16,PubChem,,20.3,0,1.528,2.334784,34.3257,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1410.479624,1313.632662,593.499481,121.4136,9.144576,0,0,3461.958223,4376.887272,6118.039963,7044.624533,5474.660402,2180.439431,279.7536999,0,0,160.279036,159.125208,296.735264,382.099416,498.123172,365.192064,60.466176,0,0,26.63610648,34.55010896,50.80666687,62.15635002,57.10008402,28.02268529,4.001516144,0,0,3846.242925,3210.7269,6665.652931,8492.189678,12174.9141,9794.782583,1664.258868,0,0,38.0625,44.75,66.75,93.5,106,60,9,0,0,44.61329874,48.14991518,33.58284819,24.32653078,8.243048347,2.2484,1.016064,0,0,150.5199227,198.9494215,145.6676182,130.4560099,76.03695003,40.37850798,31.08374443,0,0,6.968653739,7.232964,7.065125333,7.075915111,6.918377389,6.762816,6.718464,0,0,1.158091586,1.570459498,1.209682544,1.151043519,0.793056722,0.518938617,0.444612905,0,0,167.2279533,145.9421318,158.7060222,157.2627718,169.0960292,181.3848627,184.917652,0,0,1.654891304,2.034090909,1.589285714,1.731481481,1.472222222,1.111111111,1,0,0,0.031306772,-0.008413449,0.008081882,-0.016402808,-0.021579506,0.017901895,0.004758601,0,0,589.5388264,-58.58770946,113.0559706,-436.6615221,-397.9844795,384.4818433,100.9264839,0,0,1096.272622,-108.9463475,210.232405,-811.9907464,-740.0691342,714.9604056,187.6771065,0,0,0.115486609,-0.01147693,0.022146888,-0.085538994,-0.077962427,0.075317353,0.019770805,0,0,4.900848691,-0.487040864,0.939836667,-3.629976438,-3.308453367,3.196205668,0.839003988,0,0,26.62148787,-2.645613702,5.10520769,-19.71808962,-17.9715712,17.36183992,4.557482978,0,0,3.364130435,-1.89721172,1.144848771,-0.061436673,-2.781190926,1.44399811,0.468927221,0,0,0.001361164,-3.82E-04,1.92E-04,-3.04E-04,-3.00E-04,3.32E-04,5.29E-04,0,0,25.63212289,-2.663077703,2.691808824,-8.086324483,-5.527562215,7.120034136,11.21405376,0,0,47.66402704,-4.952106706,5.005533452,-15.03686567,-10.27873797,13.24000751,20.85301183,0,0,0.005021157,-5.22E-04,5.27E-04,-0.001584055,-0.001082811,0.001394766,0.002196756,0,0,0.213080378,-0.022138221,0.022377063,-0.067221786,-0.045950741,0.059188994,0.093222665,0,0,1.157455995,-0.120255168,0.121552564,-0.365149808,-0.249605156,0.321515554,0.506386998,0,0,0.146266541,-0.086236896,0.027258304,-0.001137716,-0.038627652,0.026740706,0.052103025,0,0,-0.280957707,0.141368531,-0.223158782,-0.220190485,0.243553729,0.388442115,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.589587311,0.186360489,-0.007778376,-0.264090827,0.182821756,0.356219709,0,0,1.820571573,0.87386498,1.385409186,1.182266495,0.302033566,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,2.192245557,0.642280175,1.142912703,1.339705618,0.363309998,0,0,0,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,35.39635054,17.5815086,25.27166631,35.22968387,5.032811982,17.58150865,-0.233333333,1.22E-15,1.74E-16,-24.03723371,4000004.07,571429.1528,10.64126416,0,11.89,12.11009426,-0.167985522,0.052561797,5.591467234,8.899502724,6,22,22,22,6,0,0,0,0,0,17.491312,3.574978343,2.902564078,2.685171409,2.333552793,1.799662052,1.598026915,0.443021474,0.083923071,1.942186947,1.563026335,1.43543247,1.249629723,0.873444649,0.769718516,0.083923071,0.083923071,3.598605629,2.950308951,2.74069663,2.405454588,1.886405282,1.695309721,0.55220905,0.270913902,1.886429748,1.473453684,1.336134217,1.134540686,0.74261092,0.630337185,0.270913902,0.270913902,3.704581195,3.155598408,2.977445718,2.704236987,2.243010376,2.090117344,0.964952634,0.943918427,1.726127666,1.195492746,1.023013433,0.76031856,0.309093543,0.162386152,0.943918427,0.943918427,3.616126269,2.985267979,2.781255866,2.457539916,1.949059228,1.765276817,0.628971729,0.399277246,1.85123465,1.415133181,1.271070023,1.058262671,0.655276683,0.536857124,0.399277246,0.399277246,3.757360594,3.252217518,3.087536905,2.838982085,2.401293357,2.26277616,1.207644823,1.207644823,1.677416459,1.104407163,0.918752736,0.631337262,0.156681707,0.004703131,1.129594515,1.207644823,3.577637728,3.061422362,2.899211901,2.612600818,2.030943263,1.838196629,0.625239344,0.571428571,1.875379131,1.325313653,1.140967173,0.898315104,0.545257359,0.431448195,0.571428571,0.571428571,0,0,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,0,0,1.207106781,0.25,0,0,1.207106781,0.25,0,0,1.707106781,1,0,1.707106781,1,0,5.914213562,3.121320344,2.871320344,1.914213562,0.25,0,0,0,0.844887652,0.520220057,0.358915043,0.319035594,0.25,0,0,0,5.914213562,3.121320344,2.871320344,1.914213562,0.25,0,0,0,0.844887652,0.520220057,0.358915043,0.319035594,0.25,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,34,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,9.076388889,0,2.590277778,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.239583333,0,1.295138889,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.298611111,0,1.295138889,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.25,1.75,0.2,2.298611111,0,0.583333333,5.312430556,0.666666667,0.298611111,2.152777778,0.666666667,0.298611111,2.152777778,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.57143,0,0.14286,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.84027,1.12004,7.84027,0,0,3.12132,0.4459,3.12132,0,0,0.29268,0.04181,0.29268,0.04181,0,6,0,0,0,0,0,0,1,0.886540893,1.306170652,2.044451086,2.566190217,2.36951361,1.756720226,20.39044053,30.04192499,47.02237498,59.02237498,54.49881302,40.4045652,0.195982923,0.288748262,0.451956026,0.567294146,0.523815885,0.388348882,3.637021063,3.217391304,2.47911087,1.95737174,2.154048346,2.76684173,0.19880132,0.292900702,0.45845553,0.575452308,0.531348793,0.393933662,6.634953582,11.67051069,14.32625079,14.85207255,12.49195327,5.138432664,27.76507516,21.21742031,19.84231067,20.03452107,18.85446143,11.50094083,7,2.34375,2.666666667,7,0,5,2.23,1.0949,2.039648903,4.298279727,0,2.828427125,0.5,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,2.855,8,6,1,0,0,0,0,0,0,28,1.945910149,2.197224577,1.945910149,0.693147181,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,3,1.111111111,0.125,0,0,0,0,0,0,0,0.5,0.138888889,0.020833333,0,0,0,0,0,0,0,0.659722222,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,0,129.6283511,3.807354922,3.36729583,4.043051268,4.844187086,5.549076085,6.354370041,7.063903961,7.870547845,8.580918882,9.387900612,70.06125161,2.564949357,0,3.80666249,0,5.262690189,0,6.767343125,0,8.282230063,8.532278829,100.1252005,4.353269587,12.44270382,1.777529117,0,0,0,44,6,4.299,28,1.224818182,2.110039005,2.924159227,3.474757511,3.952964644,5.71185753,0,0,0,0,69.72220731,81.39693149,76.11385697,31.90081193,10.61486373,5.803612809,0,0,0,0,268.787596,337.4239973,396.2765835,274.4580573,172.6406646,177.5459197,0,0,0,0,8.893455721,14.97568724,20.72699372,24.06670898,26.79532824,38.37490919,0,0,0,0,2.059771149,2.735845826,3.457950507,2.821098814,2.155507404,2.539565568,0,0,0,0,176.6115071,329.9879212,457.2457905,585.5682262,712.0570339,1056.223283,0,0,0,0,2.538829545,3.501396601,5.152654435,5.169126467,4.547896064,5.71185753,0,0,0,0,0.427911136,0.575376064,0.73538305,0.616797951,0.486646143,0.584894211,0,0,0,0,351.2538824,135.6087776,8.422640101,123.6246489,-47.72783548,-7.249936546,227.6292335,183.336613,15.67257665,0.739671009,0.285565189,0.01773641,0.260328991,-0.100505355,-0.015266928,166.8029278,64.39769712,3.999730961,58.7066917,-22.66492441,-3.442839219,0.06936215,0.167822642,1.367179659,8.42336208,474.8785313,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,651.8861034,25.53206031,8.670761509,1.600376192,1.20582466,301.9411244,301.0866254,117.3617398,1.00283805,2.572738994,2.565458095,3.7171057,3.220194404,6.42424645,0.994987148,4.462408855,5.691187203,2.528752837,30.60273147,5.933777466,9.998374675,9.367718843,8.391585578,4.005473465,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851897,0.149881511,8.932443656,2.023351974,0.331592865,0.652671376,0.333439406,0.957409077,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690874933,0.524912857,11.8618731,2.301177387,1.404778953,1.996587945,1.320719156,1.162491535,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691150612,2.344012169,28.7475861,5.510292301,9.088187436,8.680297607,7.665648812,3.67131965,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690904229,0.815183813,14.31641578,2.64640617,2.408719208,3.048308136,2.193698832,1.4271176,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691340921,3.257168424,38.07157851,7.710774744,13.72990057,12.08766339,11.34352843,5.410230557,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.732087054,4.568276431,1.078605138,18.19740676,3.907136712,4.373030767,4.932270683,3.322899843,2.227401361,1.559038414,0.053081045,0.367905486,2.62E-15,3.60E-51,9.54E-109,4.88E-188,4.81E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.143134216,1.083373056,1.042643022,0.596516334,0.205606786,0.457022849,0.472182242,0.451937121,5.269150294,7.811925237,16.63146991,0.394774501,1.381142212,2.425158869,0.590249567,0.584676146,0.673639414,0.163954361,0.272077387,0.140160268,0.142114195,3.600084582,3.194486356,7.631505007,0.510459121,0.55435185,2.722543607,0.794500869,0.774365612,0.634417022,0.185137485,0.342895472,0.253946564,0.24928655,4.291410088,4.88654156,10.85295345,0.451625533,0.846128586,3.12654359,1.071978198,1.032060545,0.597742926,0.204944331,0.452210911,0.462301704,0.442809658,5.230582334,7.684715251,16.37433784,0.396614389,1.357322272,2.849753172,0.881871591,0.855507349,0.621249422,0.192249006,0.375687333,0.312870267,0.304266557,4.587132112,5.705548772,12.4426704,0.431874133,0.992824157,3.194714628,1.118799778,1.07554404,0.59281499,0.207605798,0.472145876,0.503568241,0.480909248,5.389058445,8.213620724,17.44693817,0.389222485,1.456623365,3.134797151,1.075002078,1.032151288,0.598021126,0.205076731,0.454601587,0.464913542,0.442887528,5.241950518,7.71506315,16.43527418,0.397031689,1.362402657 +UMLS0103,L,"3,3-dimethylpentane",CCC(C)(C)CC,11229,,UML,[1],C7H16,UML,,-5.8,0,1.0468,1.09579024,37.6509,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1604.188161,1510.389391,1032.388228,451.262617,103.124448,9.144576,0,3947.642614,5029.877407,7031.587075,8051.422878,6931.713574,4191.072239,1620.932031,279.7536999,0,181.25648,180.900988,339.464772,444.984316,561.055504,432.86698,244.259712,60.466176,0,30.31423229,39.56609758,58.49435701,71.17787888,68.13446145,45.07139101,20.01965301,4.001516144,0,4342.872585,3643.766351,7589.85513,9971.144834,13664.80308,10892.19649,6466.264847,1664.258868,0,42.3125,50,76.125,104.5,116.25,85,42,9,0,45.09238923,49.11105724,33.42058669,23.97443478,12.74553368,7.162898683,2.864568,1.016064,0,151.8324082,201.1950963,146.4913974,127.8003631,85.57671079,66.52495618,45.02588975,31.08374443,0,6.971403077,7.23603952,7.07218275,7.063243111,6.92661116,6.870904444,6.784992,6.718464,0,1.165932011,1.582643903,1.218632438,1.129807601,0.841166191,0.715418905,0.556101472,0.444612905,0,167.033561,145.7506541,158.1219819,158.2721402,168.7012726,172.8920077,179.618468,184.917652,0,1.627403846,2,1.5859375,1.658730159,1.435185185,1.349206349,1.166666667,1,0,0.035569321,-0.008387702,0.005351302,-0.018918608,-0.004894836,-0.003758765,0.008068758,0.004755191,0,670.5194345,-58.02572029,75.2185263,-441.9983879,-151.8697864,-50.86205112,189.1208661,103.1568361,0,1246.859521,-107.9013047,139.8720616,-821.9148763,-282.408353,-94.58015594,351.6783263,191.8245416,0,0.131350154,-0.01136684,0.014734793,-0.08658445,-0.029750249,-0.009963527,0.037047479,0.020207716,0,5.574042193,-0.482369036,0.625293195,-3.674341916,-1.262496736,-0.422817303,1.572165747,0.857544953,0,30.27828566,-2.620236259,3.396602558,-19.9590836,-6.857902307,-2.296750301,8.540029288,4.658197794,0,3.540865385,-1.86381287,1.164940828,-1.21200074,-0.170580621,-0.562962278,0.433801775,0.440181213,0,0.001368051,-3.36E-04,1.11E-04,-3.00E-04,-6.04E-05,-5.97E-05,2.24E-04,5.28E-04,0,25.78920902,-2.321028812,1.567052631,-7.015847427,-1.874935635,-0.807334145,5.253357393,11.46187067,0,47.95613541,-4.316052187,2.914001283,-13.04626788,-3.486522876,-1.501272317,9.768842398,21.31383796,0,0.005051929,-4.55E-04,3.07E-04,-0.001374356,-3.67E-04,-1.58E-04,0.001029097,0.002245302,0,0.214386238,-0.019294761,0.013026942,-0.058322888,-0.015586379,-0.006711386,0.043671271,0.095282773,0,1.164549448,-0.10480945,0.070762553,-0.316810851,-0.084665461,-0.036456354,0.237223036,0.517577533,0,0.13618713,-0.074552515,0.024269601,-0.019238107,-0.002105934,-0.008935909,0.012050049,0.048909024,0,-0.24524533,0.081492186,-0.219506007,-0.044172391,-0.043611641,0.163833228,0.386209736,0,-0.09,0.060763889,-0.272045855,-0.072702332,-0.031305115,0.203703704,0.444444444,0,-0.09,0.060763889,-0.272045855,-0.072702332,-0.031305115,0.203703704,0.444444444,0,-0.09,0.060763889,-0.272045855,-0.072702332,-0.031305115,0.203703704,0.444444444,0,-0.09,0.060763889,-0.272045855,-0.072702332,-0.031305115,0.203703704,0.444444444,0,-0.09,0.060763889,-0.272045855,-0.072702332,-0.031305115,0.203703704,0.444444444,0,-0.54742702,0.178207739,-0.141262298,-0.015463529,-0.065614931,0.088481557,0.359131025,0,1.782026413,0.959069723,1.340458992,0.968495063,0.875063827,0.455220955,9.54E-08,0,1.625,1.128472222,1.4329806,0.947359396,0.78813933,0.376157407,0,0,1.625,1.128472222,1.4329806,0.947359396,0.78813933,0.376157407,0,0,1.625,1.128472222,1.4329806,0.947359396,0.78813933,0.376157407,0,0,1.625,1.128472222,1.4329806,0.947359396,0.78813933,0.376157407,0,0,1.625,1.128472222,1.4329806,0.947359396,0.78813933,0.376157407,0,0,2.153428377,0.66191446,1.253785062,0.956098665,0.980614015,0.588368409,0,0,34.88529179,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,3.55E-15,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,34.88529179,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,3.55E-15,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,34.88529179,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,3.55E-15,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,34.88529179,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,3.55E-15,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,34.88529179,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,3.55E-15,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,34.88529179,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,3.55E-15,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,46.03281978,22.89140989,34.0458998,45.84531978,5.730664972,22.89140989,-0.25,0.091751915,0.011468989,-1.910933534,28.83623546,3.604529433,2.689306218,0,11.89,12.11011416,-0.167981532,0.052587228,5.362774882,9.213878134,7,25,25,25,7,0,0,0,0,0,19.677726,3.592735029,3.086849513,2.756611834,2.333552793,2.213410816,1.709776605,1.375415873,0.442430979,1.953664966,1.664255355,1.472941768,1.249629723,1.119681942,0.823029543,0.640118652,0.083923071,3.615998295,3.127435347,2.809002604,2.405454588,2.283163201,1.800433516,1.482790418,0.551903442,1.898878759,1.583752372,1.37707963,1.134540686,1.004432886,0.688455069,0.492644697,0.270913902,3.720224799,3.303771657,3.033454115,2.704236987,2.576236407,2.171881072,1.91400556,0.964952489,1.74139921,1.338428158,1.076868084,0.76031856,0.63171527,0.240466992,0.007862175,0.943918427,3.633241807,3.157244993,2.847328656,2.457539916,2.333901006,1.865848576,1.55975151,0.628798321,1.864303608,1.531713381,1.314432572,1.058262671,0.928178217,0.598468841,0.393354778,0.399277246,3.772086944,3.387940121,3.138462928,2.838982085,2.709729176,2.336024862,2.100280206,1.207644823,1.693522867,1.259495599,0.97763897,0.631337262,0.504315529,0.082162571,0.188878372,1.129601866,3.598210766,3.21026742,2.967836281,2.629038207,2.422780943,1.95342479,1.640467926,0.636613716,1.885844955,1.463965394,1.182144151,0.883583662,0.811679728,0.480010394,0.278684493,0.581818182,0,0,0,0,0,4,3,0,1,0,0,0,0,0,0,0,0,0,0,1.207106781,0.25,0,0,1.207106781,0.25,0,0,1.457106781,1.383883476,0.530330086,1.457106781,1.383883476,0.530330086,6.621320344,3.621320344,3.267766953,1.883883476,0.853553391,0.176776695,0,0,0.827665043,0.517331478,0.363085217,0.269126211,0.213388348,0.176776695,0,0,6.621320344,3.621320344,3.267766953,1.883883476,0.853553391,0.176776695,0,0,0.827665043,0.517331478,0.363085217,0.269126211,0.213388348,0.176776695,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,52,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,9.166736111,0,3.99125,0,0,0,0,0,0,0,0,0,0.592013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.247430556,0,1.306388889,0,0,0,0,0,0,0,0,0,0.592013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.329861111,0,1.364583333,0,0,0,0,0,0,0,0,0,0.592013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.75,1.71875,0.2,2.329861111,0,0.592013889,6.028855903,0.657986111,0.329861111,2.333472222,0.657986111,0.329861111,2.333472222,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0,0.125,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.32652,1.16582,9.32652,0,0,3.62132,0.45267,3.62132,0,0,0.29268,0.03658,0.29268,0.03658,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.295465679,3.122764718,3.089889603,2.651394241,23.15278265,34.39789514,59.68210766,81.19188266,80.33712969,68.93625025,0.189448582,0.281462171,0.488351264,0.66435587,0.657361819,0.564073661,3.809948078,3.377443751,2.404974039,1.577675,1.610550115,2.049045478,0.191756937,0.284891675,0.494301629,0.67245078,0.66537151,0.570946673,6.648700044,11.83875197,16.52018726,17.35395994,16.47527565,11.2133313,31.72521615,24.13720728,20.27759842,18.73658831,19.84998921,19.57347203,8,3.111111111,3.673469388,8,0,6,2.34,1.2358,1.785490327,5.421612022,0,2.555772417,1.650963624,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,3.354,9,7,4,1,0,0,0,0,0,36,2.079441542,2.302585093,2.079441542,1.609437912,0.693147181,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,3,1.111111111,0.375,0.08,0,0,0,0,0,0,0.428571429,0.12345679,0.053571429,0.02,0,0,0,0,0,0,0.625599647,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,0,146.9243357,4,3.496507561,4.17438727,4.990432587,5.693732139,6.517671273,7.22620901,8.0522965,8.762019954,9.588708312,73.50196461,2.708050201,0,3.931825633,0,5.361292166,0,6.86171134,0,8.385944905,8.634620608,114.1408506,4.390032714,14.4310606,1.803882575,0,0,0,67,7,4.868,32,1.2278,2.116401194,2.917531399,3.491129613,4.149725442,5.420669812,7.058444873,0,0,0,71.2221278,80.92015264,76.29176851,52.86276742,37.58045585,17.83798898,7.171831732,0,0,0,272.5498825,339.0696678,390.7909616,322.7997952,312.058416,261.4942538,219.4028965,0,0,0,8.919363223,15.03311663,20.64708401,24.23676534,28.64862666,36.86234266,47.42190778,0,0,0,2.081648384,2.75612872,3.405086826,3.083789335,3.229816643,3.153771913,3.138275679,0,0,0,176.77647,329.9402209,458.9097368,584.989305,706.8494808,967.0299128,1305.231053,0,0,0,2.5048,3.49530159,4.923972327,5.122008879,5.914627085,6.532401382,7.058444873,0,0,0,0.4321989,0.579781655,0.724221853,0.667471141,0.707580875,0.708050853,0.722784755,0,0,0,385.5651793,169.3003361,9.283955754,140.6069207,-61.74001235,-8.543909181,244.9582586,231.0403485,17.82786493,0.732773895,0.321758482,0.017644333,0.267226105,-0.117338058,-0.016237861,202.8736401,89.08111338,4.884958495,73.98343872,-32.48587195,-4.495566635,0.061568605,0.148621911,1.133203682,9.675094495,526.1721,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,772.0437614,27.78567547,9.173758561,1.89259598,1.526290971,493.3778267,488.9192699,126.0040284,1.009119209,3.91557185,3.88018761,4.145079663,4.466158665,7.63628977,0.709811572,5.020209962,6.639754612,2.91785385,30.11556552,7.085473679,10.99112304,10.33499562,9.304931721,7.936189053,3.69774677,3.632068833,0.073937924,1.544812114,1.267677695,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327453,0.172651819,9.901175202,2.031605912,0.342983905,0.667736559,0.507862007,2.131716203,0.063188491,0.028036188,0.008212694,0.127880219,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639356705,0.604931197,12.72639856,2.386071348,1.488917832,1.989391864,1.738934606,2.878102044,0.366826274,0.272221597,0.01265383,0.413976048,0.093040371,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639707964,2.704485898,28.41781683,6.536530975,9.975728433,9.512644878,8.566645745,7.425741086,3.320202306,3.237565143,0.066739291,1.456961205,1.129478003,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.639393989,0.939705521,15.05210916,2.830456667,2.580674811,3.090151718,2.751667851,3.52065171,0.705390494,0.585776175,0.018367329,0.611301281,0.202096118,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.6399506,3.759303908,36.92413069,9.389950807,15.16342546,13.64153758,12.26525724,10.00225513,5.271659595,5.290151795,0.104196175,1.871341804,1.848788779,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.115572728,5.458345801,1.293996193,18.83743165,4.105933993,4.885028632,4.875898242,4.176383271,4.915452326,1.333675458,1.23894564,0.03299753,1.038103892,0.429124615,1.22E-06,2.71E-33,1.16E-81,9.60E-152,1.53E-243,0,0,0,0,0,0,0,0,0,0,0,4.602292001,1.048856038,1.021895088,0.689684139,0.15717807,0.464329752,0.474055523,0.463843561,6.673043127,10.60202218,22.20789775,0.534526208,1.402228837,3.750907741,0.572402406,0.532345256,0.772482277,0.117883655,0.308451949,0.140285316,0.125876798,4.855655402,4.448522259,10.44713816,0.658723415,0.574614063,4.101671983,0.768919476,0.734117984,0.73182598,0.137191675,0.368799328,0.253913911,0.23938153,5.604709443,6.729444253,14.64945572,0.597738971,0.862094769,4.582443781,1.037768098,1.010489484,0.691094883,0.156509552,0.46033151,0.4640314,0.453547217,6.630701363,10.43467897,21.87077719,0.536642324,1.377910127,4.252526117,0.853336246,0.820858114,0.717517577,0.143981186,0.396421314,0.313079165,0.299291996,5.926720478,7.820023226,16.72550209,0.576276366,1.008792474,4.664053222,1.083352814,1.057383671,0.6854074,0.159204452,0.476882371,0.505931162,0.496619889,6.804789707,11.13002848,23.27758246,0.5281111,1.479433422,4.595682444,1.038936125,1.013817623,0.691242619,0.156267744,0.462999553,0.46519888,0.456539734,6.648436191,10.48709611,21.97612672,0.536863928,1.384738167 +UMLS0104,L,"3,3-Dimethylhexane",CCCC(C)(C)CC,11233,,"Sandia, UML",[1],C8H18,PubChem,,7.9,0,1.4608,2.13393664,24.7797,15.46793,0,0,15,5,10,0,5,0,0,0,0,0,0,0,0,0,731.481245,698.127364,730.470052,500.445122,149.434992,15.24096,0,0,0,2428.421953,2841.433771,3319.576959,2984.058748,1759.442691,466.2561665,0,0,0,104.88722,101.338384,169.32136,176.39156,185.789376,100.77696,0,0,0,18.39062905,22.2910431,28.07503496,27.1757307,19.36279389,6.669193573,0,0,0,2483.148301,2038.402901,3823.989213,3966.177935,4643.030457,2773.76478,0,0,0,32.02777778,34.83333333,45,51.5,41,15,0,0,0,48.76541633,49.86624029,30.43625217,20.01780488,5.534629333,1.016064,0,0,0,161.8947969,202.9595551,138.3157066,119.3623499,65.16454411,31.08374443,0,0,0,6.992481333,7.238456,7.055056667,7.0556624,6.881088,6.718464,0,0,0,1.226041937,1.592217364,1.169793123,1.087029228,0.717140514,0.444612905,0,0,0,165.54322,145.6002072,159.3328839,158.6471174,171.964091,184.917652,0,0,0,2.135185185,2.488095238,1.875,2.06,1.518518519,1,0,0,0,0.034780558,-0.004274942,-0.004224681,-0.020823052,-0.001276213,0.013208609,0,0,0,403.5533633,-53.80711511,6.75E-14,-269.0355756,-80.71067267,201.7766817,0,0,0,750.4247115,-100.0566282,1.07E-13,-500.283141,-150.0849423,375.2123557,0,0,0,0.079053333,-0.010540444,4.54E-16,-0.052702222,-0.015810667,0.039526667,0,0,0,3.354747616,-0.447299682,-4.72E-16,-2.236498411,-0.670949523,1.677373808,0,0,0,18.22304229,-2.429738973,1.95E-14,-12.14869486,-3.644608459,9.111521147,0,0,0,4.914814815,-1.705679012,1.215925926,-2.128395062,-1.618888889,1.77962963,0,0,0,0.002318704,-3.05E-04,-1.76E-04,-8.33E-04,-4.73E-05,8.81E-04,0,0,0,26.90355756,-3.843365365,2.81E-15,-10.76142302,-2.989284173,13.45177878,0,0,0,50.0283141,-7.146902014,4.44E-15,-20.01132564,-5.558701566,25.01415705,0,0,0,0.005270222,-7.53E-04,1.89E-17,-0.002108089,-5.86E-04,0.002635111,0,0,0,0.223649841,-0.031949977,-1.97E-17,-0.089459936,-0.024849982,0.111824921,0,0,0,1.214869486,-0.173552784,8.14E-16,-0.485947795,-0.134985498,0.607434743,0,0,0,0.327654321,-0.121834215,0.05066358,-0.085135802,-0.059958848,0.118641975,0,0,0,-0.131691238,-0.075916719,-0.359218828,-0.020385152,0.379769894,0,0,0,-0.142857143,1.05E-16,-0.4,-0.111111111,0.5,0,0,0,-0.142857143,8.88E-17,-0.4,-0.111111111,0.5,0,0,0,-0.142857143,3.59E-15,-0.4,-0.111111111,0.5,0,0,0,-0.142857143,-8.79E-17,-0.4,-0.111111111,0.5,0,0,0,-0.142857143,6.70E-16,-0.4,-0.111111111,0.5,0,0,0,-0.371837657,0.154625094,-0.259834213,-0.182994223,0.362094951,0,0,0,1.393002947,1.087004873,1.402222491,0.860189078,0.075278294,0,0,0,1.5,1.05,1.428,0.855555556,0,0,0,0,1.5,1.05,1.428,0.855555556,0,0,0,0,1.5,1.05,1.428,0.855555556,0,0,0,0,1.5,1.05,1.428,0.855555556,0,0,0,0,1.5,1.05,1.428,0.855555556,0,0,0,0,1.695553881,0.56212321,1.571439337,1.055011304,0,0,0,0,13.31375144,6.65687572,10.4104119,13.31375144,2.662750288,6.659841172,-8.88E-16,0.126751897,0.025350379,-1.032761833,11.87880912,2.375761825,1.237378033,13.31375144,6.65687572,10.4104119,13.31375144,2.662750288,6.659841172,-8.88E-16,0.126751897,0.025350379,-1.032761833,11.87880912,2.375761825,1.237378033,13.31375144,6.65687572,10.4104119,13.31375144,2.662750288,6.659841172,-8.88E-16,0.126751897,0.025350379,-1.032761833,11.87880912,2.375761825,1.237378033,13.31375144,6.65687572,10.4104119,13.31375144,2.662750288,6.659841172,-8.88E-16,0.126751897,0.025350379,-1.032761833,11.87880912,2.375761825,1.237378033,13.31375144,6.65687572,10.4104119,13.31375144,2.662750288,6.659841172,-8.88E-16,0.126751897,0.025350379,-1.032761833,11.87880912,2.375761825,1.237378033,13.31375144,6.65687572,10.4104119,13.31375144,2.662750288,6.659841172,-8.88E-16,0.126751897,0.025350379,-1.032761833,11.87880912,2.375761825,1.237378033,18.58048848,9.146910908,14.87728949,18.40848848,3.681697697,9.147132876,-0.286666667,0.163457233,0.032691447,-0.905601947,10.79704975,2.15940995,1.189636463,0,11.89,12.11005553,-0.173455871,0.049510438,5.217367786,7.065138911,4,14,13,13,3,1,1,0,0,1,10.93207,3.478303157,2.758656042,2.226566714,1.664066127,0.424901583,0.083923071,0.083923071,0.083923071,1.845859217,1.456334089,1.117260821,0.797347215,0.083923071,0.083923071,0.083923071,0.083923071,3.501165735,2.809097121,2.295661624,1.756600436,0.537177616,0.270913902,0.270913902,0.270913902,1.788610577,1.362024587,1.004585363,0.660826397,0.270913902,0.270913902,0.270913902,0.270913902,3.605182792,3.026266897,2.584754718,2.135469256,0.963716016,0.943918427,0.943918427,0.943918427,1.626611356,1.068473572,0.639292662,0.20533838,0.943918427,0.943918427,0.943918427,0.943918427,3.518198314,2.846056108,2.345844755,1.823364094,0.616307761,0.399277246,0.399277246,0.399277246,1.75268982,1.300534979,0.929977013,0.569460236,0.399277246,0.399277246,0.399277246,0.399277246,3.657830275,3.128465056,2.715900086,2.302626892,1.207644823,1.207644823,1.207644823,1.207644823,1.578297582,0.972099121,0.513973,0.044024074,1.134150761,1.207644823,1.207644823,1.207644823,3.539406888,2.868893903,2.485247358,1.823129509,0.609857246,0.491803279,0.491803279,0.491803279,1.778774295,1.26479603,0.791793473,0.523957992,0.491803279,0.491803279,0.491803279,0.491803279,0,0,1,0,1,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.25,0,0,0,0.40824829,0,0,0.25,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.914213562,1.914213562,1.310660172,0.603553391,0,0,0,0,0.782842712,0.478553391,0.327665043,0.301776695,0,0,0,0,7.709139019,14.43918427,13.62745098,13.8,8.992772455,115.1412754,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.89869,24.835,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,2,2,0,1,0,0,0,0,0,0,0,0,2,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.928240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.378819444,0,0,0,0.533680556,0.580555556,0,0.378819444,0,0,0,0,0,0,0,0,4.127314815,3.673611111,1.111111111,0,0,0,0,0,0,1.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.378819444,0,0,0,0.243402778,0.290277778,0,0.378819444,0,0,0,0,0,0,0,0,2.027777778,3.673611111,1.111111111,0,0,0,0,0,0,1.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.673611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.378819444,0,0,0,0.290277778,0.290277778,0,0.378819444,0,0,0,0,0,0,0,0,2.099537037,3.673611111,1.111111111,0,0,0,0,0,0,1.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.16666667,2.033333333,0.378819444,3.673611111,0.097222222,1.111111111,3.309861111,0.412037037,0.673611111,1.601851852,0.412037037,0.673611111,1.601851852,2.5,0.5,0,0,0.43333,0.7,0.41765,0.41765,0.7,0.01569,0.01569,0,0,0.71429,0,0,0.6,0.2,0,3,0.6,2,0.4,1,0.2,-1,-0.2,0,0,3.32449,0.6649,4.43249,1.10801,0.2216,1.72875,0.34575,2.27005,0.5413,0.10826,0.14395,0.02879,0.14395,0.02879,0,4,0,0,0,0,0,0,0.6,0.918295834,2.173557262,3.006238929,3.006238929,2.485320183,1.316356651,13.77443751,32.60335893,45.09358393,45.09358393,37.27980274,19.74534976,0.235045188,0.556339424,0.769470978,0.769470978,0.636137645,0.336932048,2.988594762,1.733333333,0.900651667,0.900651667,1.421570413,2.590533945,0.235045188,0.556339424,0.769470978,0.769470978,0.636137645,0.336932048,6.73287657,16.50564042,17.34483785,17.34483785,11.09381289,1.326657184,19.74937501,12.45835189,12.15043656,12.15043656,9.02492408,3.561484539,5,2.25,4,5,2,4,2.01,0.7701,1.144714243,1.889881575,2.381101578,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.104,0.088,0.143,0.175,2.139,4,2,0,0,0,0,0,0,0,15,1.791759469,1.945910149,1.386294361,0,0,0,0,0,0,0,2.995732274,1.266666667,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,3,0.75,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,0,92.39992313,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,70.07825032,4.671883355,8.696801932,1.739360386,0,0,0,18,2,2.312,16,1.211428571,2.098017122,2.952472598,3.569229372,4.144266685,0,0,0,0,0,69.92739169,73.49106214,63.3689817,20.45827569,4.210840185,0,0,0,0,0,268.109486,317.7210459,366.1345666,237.8964023,128.8193265,0,0,0,0,0,8.79932869,14.86407934,20.86892914,24.5855154,27.84310653,0,0,0,0,0,2.049517408,2.622325481,3.297838139,2.602094062,1.842594449,0,0,0,0,0,174.488084,329.7914256,465.6292458,611.7613444,766.3480647,0,0,0,0,0,3.091964286,4.155453996,6.193665875,5.420452851,4.144266685,0,0,0,0,0,0.425593929,0.553186125,0.704857989,0.574310503,0.424372909,0,0,0,0,0,295.9487617,94.8246211,9.078656484,155.9224139,-49.95893118,-8.870647062,140.0263478,144.7835523,17.94930355,0.654940562,0.209848794,0.020091249,0.345059438,-0.11056012,-0.01963092,133.7307149,42.84851302,4.102383179,70.4568445,-22.57500097,-4.008389717,0.166760387,0.311224029,3.973140582,7.556008687,451.8711757,0,1,0,271.1514402,16.46667666,6.472478828,368.4464256,19.19495834,7.168992333,393.1622378,19.82831909,7.325837248,1.280632412,1.082380848,183.3774141,136.1409493,57.30739481,1.346967352,3.199890951,2.375626213,3.17872156,3.19886722,5.272006178,0.648085342,2.952490064,3.032619972,3.212828469,6.293874198,3.916320016,5.48344502,1.967037848,7.111958721,1.473149529,0.01105391,1.93E-23,6.47E-66,4.19E-130,5.24E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.247780732,3.016952406,0.209601806,3.604118084,0.042409275,0.337459336,0.241432011,0.337094106,0.010375513,7.79E-05,1.36E-25,4.56E-68,2.95E-132,3.69E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.799848276,3.017999688,0.716174751,3.938790709,0.324979407,1.170224751,0.50926857,1.259346312,0.108120841,8.11E-04,1.41E-24,4.75E-67,3.08E-131,3.84E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.786902164,3.030899932,2.991314727,6.053374395,3.499385561,5.091417651,1.831540852,6.53424645,1.312549708,0.009848834,1.72E-23,5.76E-66,3.73E-130,4.67E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.178831661,3.019357232,1.0955283,4.232182066,0.669843404,1.806513914,0.718189004,2.029217713,0.234852914,0.00176224,3.07E-24,1.03E-66,6.68E-131,8.35E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.565596079,3.039852429,4.075752388,7.270441509,5.664163255,7.022366604,2.502622216,9.435995978,2.148450139,0.016121088,2.81E-23,9.43E-66,6.11E-130,7.64E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.535170277,2.186537746,1.366512057,4.467559622,1.007237833,2.62725139,0.867256989,2.623109818,0.356311361,0.002673614,4.66E-24,1.56E-66,1.01E-130,1.27E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.750185793,1.273512754,0.33309122,0.631241336,0.292305303,0.571759519,0.445755222,0.39998634,4.356789767,4.842655342,10.36606269,0.446862004,1.417501081,1.873947286,0.747511591,0.071809214,0.695789362,0.277548156,0.267831219,0.155577905,0.018589989,2.693268092,1.58904222,4.382900466,0.543684042,0.441999113,2.221123059,0.9572599,0.175581946,0.662238014,0.285411424,0.374397858,0.253713183,0.111142076,3.353964905,2.684258703,6.411544544,0.493357022,0.739253118,2.728419814,1.26056323,0.326622614,0.632221762,0.292094165,0.562803829,0.436855976,0.38460178,4.315605658,4.742237761,10.1812115,0.448332643,1.384261584,2.376269256,1.050357689,0.221837724,0.651306638,0.287890328,0.42788712,0.304758525,0.177414696,3.648464669,3.256087806,7.458244501,0.476959956,0.910060341,2.818347107,1.314036413,0.353342699,0.62829227,0.292937275,0.600269879,0.474174176,0.450102095,4.485726219,5.16355827,10.95785763,0.442438404,1.524546149,2.723578559,1.265981367,0.32572615,0.631146698,0.293371365,0.560856532,0.440716565,0.382493485,4.315286076,4.747503702,10.18589345,0.446720047,1.384066582 +UMLS0105,L,2-Methyl-1-Butene,CCC(=C)C,11240,RON from [9],"Sandia, UML","[1], [9]",C5H10,PubChem,,16.4,0,1.7268,2.98183824,28.697,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,1045.244598,873.72298,286.677216,30.48192,0,0,0,2914.106344,3494.423905,4458.251484,4634.248866,3145.880449,932.5123329,0,0,0,125.864664,123.114164,212.074584,241.296016,290.957184,201.55392,0,0,0,22.06875486,27.30703172,36.76914939,40.54834087,33.39023292,13.33838715,0,0,0,2979.777961,2471.442353,4753.658325,5291.624482,7067.04909,5547.529561,0,0,0,37.55555556,41.22222222,55.33333333,72.66666667,70,30,0,0,0,48.76541633,50.97680359,34.8414866,25.69773471,6.825648,1.016064,0,0,0,161.8947969,205.5543474,148.6083828,136.3014372,74.90191545,31.08374443,0,0,0,6.992481333,7.242009647,7.0691528,7.096941647,6.927552,6.718464,0,0,0,1.226041937,1.606295984,1.225638313,1.192598261,0.795005546,0.444612905,0,0,0,165.54322,145.3789619,158.4552775,155.6360142,168.2630736,184.917652,0,0,0,2.086419753,2.424836601,1.844444444,2.137254902,1.666666667,1,0,0,0,0.037845127,-0.007313313,0.004195443,-0.020193286,-0.022327019,0.026715611,0,0,0,484.264036,-53.80711511,80.71067267,-349.7462482,-322.8426907,403.5533633,0,0,0,900.5096538,-100.0566282,150.0849423,-650.3680833,-600.3397692,750.4247115,0,0,0,0.094864,-0.010540444,0.015810667,-0.068512889,-0.063242667,0.079053333,0,0,0,4.025697139,-0.447299682,0.670949523,-2.907447934,-2.683798093,3.354747616,0,0,0,21.86765075,-2.429738973,3.644608459,-15.79330332,-14.57843384,18.22304229,0,0,0,5.555555556,-2.333333333,2,-1.111111111,-4.666666667,3.333333333,0,0,0,0.002102507,-4.30E-04,1.40E-04,-5.94E-04,-5.32E-04,8.91E-04,0,0,0,26.90355756,-3.165124418,2.690355756,-10.28665436,-7.68673073,13.45177878,0,0,0,50.0283141,-5.885684011,5.00283141,-19.12847304,-14.29380403,25.01415705,0,0,0,0.005270222,-6.20E-04,5.27E-04,-0.002015085,-0.001505778,0.002635111,0,0,0,0.223649841,-0.026311746,0.022364984,-0.085513175,-0.063899955,0.111824921,0,0,0,1.214869486,-0.142925822,0.121486949,-0.464508921,-0.347105568,0.607434743,0,0,0,0.308641975,-0.137254902,0.066666667,-0.032679739,-0.111111111,0.111111111,0,0,0,-0.204610432,0.066514929,-0.28248189,-0.252838951,0.423551655,0,0,0,-0.117647059,0.1,-0.382352941,-0.285714286,0.5,0,0,0,-0.117647059,0.1,-0.382352941,-0.285714286,0.5,0,0,0,-0.117647059,0.1,-0.382352941,-0.285714286,0.5,0,0,0,-0.117647059,0.1,-0.382352941,-0.285714286,0.5,0,0,0,-0.117647059,0.1,-0.382352941,-0.285714286,0.5,0,0,0,-0.444705882,0.216,-0.105882353,-0.36,0.36,0,0,0,1.490488958,0.90413532,1.442505656,1.167157836,0.082393556,0,0,0,1.5,0.991666667,1.5,1.113095238,0,0,0,0,1.5,0.991666667,1.5,1.113095238,0,0,0,0,1.5,0.991666667,1.5,1.113095238,0,0,0,0,1.5,0.991666667,1.5,1.113095238,0,0,0,0,1.5,0.991666667,1.5,1.113095238,0,0,0,0,1.8,0.498666667,1.36,1.457142857,0,0,0,0,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,27.35121281,13.49227307,20.7392081,27.10676837,4.517794728,13.49227607,-0.366666667,0.121228414,0.020204736,-1.266047278,14.2004966,2.366749433,1.591966161,0,11.89,12.11007471,-0.171717965,0.050870917,5.799201109,7.822760625,5,17,16,16,4,1,1,0,0,1,13.118484,3.54688642,2.882741093,2.333552793,2.225633185,1.311576857,0.377869599,0.083923071,0.083923071,1.888164914,1.504295285,1.249629723,1.113576313,0.502978359,0.083923071,0.083923071,0.083923071,3.567872114,2.925735049,2.405454588,2.294583306,1.408670279,0.499309956,0.270913902,0.270913902,1.83436842,1.417106347,1.134540686,1.001341106,0.359699224,0.270913902,0.270913902,0.270913902,3.663676216,3.11439833,2.704236987,2.582939642,1.807291365,0.960747317,0.943918427,0.943918427,1.683492613,1.151735752,0.76031856,0.637314864,0.119164066,0.943918427,0.943918427,0.943918427,3.583520973,2.957433039,2.457539916,2.344653769,1.478828883,0.584911008,0.399277246,0.399277246,1.800743558,1.360737634,1.058262671,0.927013719,0.263743778,0.399277246,0.399277246,0.399277246,3.712418321,3.205173364,2.838982085,2.713681341,1.983213056,1.207644823,1.207644823,1.207644823,1.638855195,1.066797447,0.631337262,0.512357958,0.288976647,1.145127163,1.207644823,1.207644823,3.584776845,3.006353795,2.5,2.5,1.463021768,0.601457103,0.5,0.5,1.845134323,1.305468963,1,0.761471008,0.243535217,0.5,0.5,0.5,0,0,1,0,1,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.666666667,0,0.333333333,0,0.49279928,0,0.204124145,0,1.333333333,0,0,0.90104757,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,4.78445705,2.296929064,2.001053209,0.98559856,0,0,0,0,0.797409508,0.459385813,0.333508868,0.24639964,0,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,24,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,3,2,0,1,0,0,0,0,0,0,0,0,3,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.013888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.777083333,0.580555556,0,0.363194444,0,0,0,0,0,0,0,0,6.328703704,3.75462963,0,0,0,0,0.657407407,0,0,1.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.243402778,0.290277778,0,0.363194444,0,0,0,0,0,0,0,0,2.046296296,3.75462963,0,0,0,0,0.657407407,0,0,1.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.75462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.290277778,0.290277778,0,0.363194444,0,0,0,0,0,0,0,0,2.141203704,3.75462963,0,0,0,0,0.657407407,0,0,1.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,2,0.363194444,3.75462963,0.069444444,0.657407407,4.029814815,0.675925926,0.75462963,2.166666667,0.675925926,0.75462963,2.166666667,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.66667,0.33333,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.86109,0.81018,6.13075,1.26965,0.21161,2.1183,0.35305,2.64272,0.52442,0.0874,0.27128,0.04521,0.27128,0.04521,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.102187171,2.821888196,2.821888196,2.358563195,1.311361806,16.52932501,37.83936908,50.79398752,50.79398752,42.45413752,23.60451251,0.220218789,0.504130691,0.676723969,0.676723969,0.565612857,0.314480909,3.251629167,2.06773783,1.348036806,1.348036806,1.811361806,2.858563195,0.220218789,0.504130691,0.676723969,0.676723969,0.565612857,0.314480909,6.73287657,16.17613249,16.90146519,16.90146519,11.34156519,1.321623254,23.69925001,15.20198837,15.1849632,15.1849632,12.4050132,5.16683403,6,2.222222222,3,6,2,4,2.12,0.911,2.289428485,0,5.656854249,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.108,0.104,0.16,2.41,6,4,0,0,0,0,0,0,0,21,1.945910149,2.197224577,1.945910149,0,0,0,0,0,0,0,3.295836866,1.238095238,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,3,0.5,2,0.888888889,0,0,0,0,0,0,0,0,0.4,0.148148148,0,0,0,0,0,0,0,0,0.548148148,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,0,109.6959078,3.584962501,3.135494216,3.761200116,4.465908119,5.141663557,5.837730447,6.52649486,7.220373837,7.912423121,8.605753368,63.60704164,2.397895273,0,3.555348061,0,4.875197323,0,6.244166901,0,7.626082758,7.917536354,84.09390038,4.671883355,10.52364588,1.75394098,0,0,0,29,4,2.816,22,1.218176471,2.109577003,2.965464999,3.556975226,4.053990696,0,0,0,0,0,72.09694811,84.47532388,81.56922727,24.99486158,4.119114003,0,0,0,0,0,273.7619267,344.3950826,419.6816095,271.8261257,126.0132107,0,0,0,0,0,8.854038609,14.9811238,21.08149346,24.66690704,27.23659055,0,0,0,0,0,2.083499297,2.772766011,3.631620955,2.871011147,1.80245658,0,0,0,0,0,175.1053983,329.3958065,458.9515989,596.4544215,749.6544409,0,0,0,0,0,3.014607843,4.114653341,6.479454464,5.978653571,4.053990696,0,0,0,0,0,0.432308382,0.582443448,0.770957677,0.629492981,0.415128647,0,0,0,0,0,320.5263574,116.8023746,9.515343608,120.3539891,-43.85795863,-7.047911932,200.1723682,160.6603332,16.56325554,0.727014393,0.264929874,0.021582599,0.272985607,-0.099478144,-0.015985997,141.3137715,51.49587138,4.195127987,53.06170843,-19.336112,-3.107285855,0.146648919,0.272946783,3.493975888,6.523694273,440.8803465,0,1,0,333.2330094,18.25467089,6.932917066,449.9020669,21.21089501,7.66253838,529.7674607,23.01667788,8.091488599,1.128899747,1.044625866,237.8401085,159.6500088,110.8199766,1.489759445,2.146184432,1.440624819,3.473358942,3.200382783,5.273083328,0.64764145,3.51029105,3.98112584,3.605910462,9.615812917,4.886256274,7.099059847,7.389380437,7.818133351,2.898681102,0.013494541,2.02E-23,6.74E-66,4.49E-130,5.85E-216,1.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.294593113,3.965427528,0.223657464,5.616238863,1.017038304,1.437220007,0.497125885,0.390097908,0.020415648,9.50E-05,1.42E-25,4.74E-68,3.16E-132,4.12E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.950964342,3.966476943,0.774023613,6.286675776,1.301180293,2.462660571,1.466047351,1.434574296,0.212746793,9.90E-04,1.48E-24,4.94E-67,3.29E-131,4.29E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.3134208,3.979402453,3.349315577,9.319325544,4.47050405,6.706363811,6.812514788,7.196506942,2.582672676,0.012023393,1.80E-23,6.00E-66,4.00E-130,5.21E-216,1.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.401548931,3.967837182,1.193408684,6.790248666,1.646372185,3.205270752,2.261213417,2.291645153,0.462114463,0.002151331,3.22E-24,1.07E-66,7.15E-131,9.32E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.239221521,3.988372358,4.612209984,10.77220136,6.628706107,8.605359456,9.701161989,10.30922426,4.227453965,0.019680519,2.95E-23,9.82E-66,6.54E-130,8.53E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.888911292,2.743932672,1.499812825,6.948803981,2.004744586,4.717038598,3.167466302,3.117641773,0.724670276,0.003373635,5.06E-24,1.68E-66,1.12E-130,1.46E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.456493695,1.76017599,0.524094047,0.518164126,0.371285322,0.552080646,0.504298169,0.422344983,4.740763733,6.533792705,13.54066637,0.334174172,1.478723798,1.709719081,1.127687354,0.194498023,0.563909287,0.371940267,0.287280117,0.23234941,0.05920089,3.031904458,2.479898528,5.886800734,0.403774331,0.578830416,2.002273056,1.382862366,0.325472472,0.539607825,0.372678118,0.380797109,0.333908721,0.164429976,3.710607894,3.87063645,8.482434675,0.368428915,0.879135805,2.437638932,1.744878186,0.515940074,0.518816887,0.371372583,0.544296001,0.496906667,0.409441921,4.698457192,6.411311189,13.30425912,0.335284205,1.45064459,2.134521069,1.494793189,0.383819693,0.531883833,0.372475279,0.427253319,0.381934347,0.227963184,4.013133951,4.58366984,9.821444832,0.356538669,1.03715085,2.515619586,1.807974047,0.549620585,0.516213627,0.371002375,0.576885268,0.527671145,0.464015288,4.873214217,6.924510983,14.29749576,0.330824002,1.568571702,2.436455244,1.752363361,0.514907106,0.517984125,0.372547948,0.545107525,0.503592432,0.407348987,4.70372571,6.426407363,13.32855723,0.335798109,1.456048945 +UMLS0106,L,"2,3-Dimethyl-1-Butene",CC(C)C(=C)C,11249,RON from [9],"Sandia, UML","[1], [9]",C6H12,PubChem,,18.5,0,2.6446,6.99390916,29.8868,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,1023.06255,867.626596,308.859264,36.578304,0,0,0,2914.106344,3494.423905,4290.94574,4447.7464,3313.186193,1119.0148,0,0,0,125.864664,123.114164,211.276248,200.985232,291.75552,241.864704,0,0,0,22.06875486,27.30703172,35.43128658,37.88066344,34.72809573,16.00606457,0,0,0,2979.777961,2471.442353,4817.248533,4182.118569,7003.458882,6657.035473,0,0,0,33.55555556,40.11111111,53.33333333,60,66,36,0,0,0,48.76541633,50.97680359,34.102085,30.98666414,7.353792,1.016064,0,0,0,161.8947969,205.5543474,143.0315247,158.8480857,78.88538554,31.08374443,0,0,0,6.992481333,7.242009647,7.0425416,7.178044,6.94656,6.718464,0,0,0,1.226041937,1.606295984,1.181042886,1.352880837,0.826859422,0.444612905,0,0,0,165.54322,145.3789619,160.5749511,149.3613775,166.749021,184.917652,0,0,0,1.864197531,2.359477124,1.777777778,2.142857143,1.571428571,1,0,0,0,0.028563285,0.004993622,0.001018674,-0.032089973,-0.015300317,0.027096351,0,0,0,484.264036,-53.80711511,161.4213453,-430.4569209,-403.5533633,484.264036,0,0,0,900.5096538,-100.0566282,300.1698846,-800.4530256,-750.4247115,900.5096538,0,0,0,0.094864,-0.010540444,0.031621333,-0.084323556,-0.079053333,0.094864,0,0,0,4.025697139,-0.447299682,1.341899046,-3.578397457,-3.354747616,4.025697139,0,0,0,21.86765075,-2.429738973,7.289216918,-19.43791178,-18.22304229,21.86765075,0,0,0,3.308641975,-1.322359396,1.769547325,-1.838134431,-3.423868313,3.160493827,0,0,0,0.001586849,2.94E-04,3.40E-05,-0.00114607,-3.64E-04,7.53E-04,0,0,0,26.90355756,-3.165124418,5.380711511,-15.37346146,-9.608413413,13.45177878,0,0,0,50.0283141,-5.885684011,10.00566282,-28.58760806,-17.86725503,25.01415705,0,0,0,0.005270222,-6.20E-04,0.001054044,-0.003011556,-0.001882222,0.002635111,0,0,0,0.223649841,-0.026311746,0.044729968,-0.127799909,-0.079874943,0.111824921,0,0,0,1.214869486,-0.142925822,0.242973897,-0.694211135,-0.433881959,0.607434743,0,0,0,0.183813443,-0.077785847,0.058984911,-0.065647658,-0.081520674,0.087791495,0,0,0,0.185110519,0.021398262,-0.722230264,-0.229570187,0.474321349,0,0,0,-0.117647059,0.2,-0.571428571,-0.357142857,0.5,0,0,0,-0.117647059,0.2,-0.571428571,-0.357142857,0.5,0,0,0,-0.117647059,0.2,-0.571428571,-0.357142857,0.5,0,0,0,-0.117647059,0.2,-0.571428571,-0.357142857,0.5,0,0,0,-0.117647059,0.2,-0.571428571,-0.357142857,0.5,0,0,0,-0.423178227,0.320895522,-0.357142857,-0.443496802,0.47761194,0,0,0,1.143370934,1.341487022,2.037953361,0.863223555,0,0,0,0,1.5,0.85,1.821428571,1.214285714,0,0,0,0,1.5,0.85,1.821428571,1.214285714,0,0,0,0,1.5,0.85,1.821428571,1.214285714,0,0,0,0,1.5,0.85,1.821428571,1.214285714,0,0,0,0,1.5,0.85,1.821428571,1.214285714,0,0,0,0,1.880597015,0.494776119,1.590351812,1.468017058,0,0,0,0,17.10468636,8.552343178,11.73848384,17.10468636,2.850781059,8.552804898,3.55E-15,2.22E-16,3.70E-17,-21.62619203,19.11354926,3.185591544,1.770238481,17.10468636,8.552343178,11.73848384,17.10468636,2.850781059,8.552804898,3.55E-15,2.22E-16,3.70E-17,-21.62619203,19.11354926,3.185591544,1.770238481,17.10468636,8.552343178,11.73848384,17.10468636,2.850781059,8.552804898,3.55E-15,2.22E-16,3.70E-17,-21.62619203,19.11354926,3.185591544,1.770238481,17.10468636,8.552343178,11.73848384,17.10468636,2.850781059,8.552804898,3.55E-15,2.22E-16,3.70E-17,-21.62619203,19.11354926,3.185591544,1.770238481,17.10468636,8.552343178,11.73848384,17.10468636,2.850781059,8.552804898,3.55E-15,2.22E-16,3.70E-17,-21.62619203,19.11354926,3.185591544,1.770238481,17.10468636,8.552343178,11.73848384,17.10468636,2.850781059,8.552804898,3.55E-15,2.22E-16,3.70E-17,-21.62619203,19.11354926,3.185591544,1.770238481,19.01928889,9.487422222,13.14343006,18.98965926,3.16494321,9.487587743,-0.044444444,3.89E-16,6.48E-17,-21.29042256,17.26440334,2.877400556,1.709188063,0,11.89,12.11007471,-0.171641681,0.050926005,5.93534507,7.704530162,5,17,16,16,4,1,1,0,0,1,13.118484,3.577678359,2.754514655,2.333552793,2.333552793,1.380180602,0.083923071,0.083923071,0.083923071,1.884441385,1.459722328,1.249629723,1.249629723,0.200363762,0.083923071,0.083923071,0.083923071,3.595476868,2.805077402,2.405454588,2.405454588,1.453787495,0.270913902,0.270913902,0.270913902,1.833962164,1.364136899,1.134540686,1.134540686,0.114414899,0.270913902,0.270913902,0.270913902,3.678680972,3.023972383,2.704236987,2.704236987,1.746119582,0.943918427,0.943918427,0.943918427,1.696272366,1.066668566,0.76031856,0.76031856,0.202004847,0.943918427,0.943918427,0.943918427,3.608851245,2.842205793,2.457539916,2.457539916,1.506439339,0.399277246,0.399277246,0.399277246,1.802748674,1.301799776,1.058262671,1.058262671,0.054393436,0.399277246,0.399277246,0.399277246,3.722170417,3.127406898,2.838982085,2.838982085,1.868921379,1.207644823,1.207644823,1.207644823,1.65682606,0.969233411,0.631337262,0.631337262,0.322850423,1.207644823,1.207644823,1.207644823,3.588132899,2.904174121,2.546278942,2.546278942,1.518899637,0.529411765,0.529411765,0.529411765,1.802208064,1.222230739,0.958043648,0.958043648,0.045591384,0.529411765,0.529411765,0.529411765,0,0,0,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0.666666667,0,0.333333333,0,0.5,0,0.25,0,1.333333333,0,0,1,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,5,2.25,2,1,0,0,0,0,0.833333333,0.45,0.333333333,0.25,0,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,24,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.851851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.161111111,0,0,0,0,0,0,0,0,0,0,8.481481481,0,0,0,0,0,0,0,0,2.851851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.425925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290277778,0,0,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,0,0,0,0,1.425925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.425925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290277778,0,0,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,0,0,0,0,1.425925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.33333333,1.888888889,0.290277778,2.12037037,0.069444444,1.425925926,3.261888889,0.240740741,0.12037037,0.962962963,0.240740741,0.12037037,0.962962963,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.66667,0.33333,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,5.21661,0.86944,6.13075,0.91413,0.15236,1.98885,0.33148,2.64272,0.65387,0.10898,0.27128,0.04521,0.27128,0.04521,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.224394445,1.224394445,1.224394445,0.872180556,0.389975,16.52932501,22.03910002,22.03910002,22.03910002,15.69925001,7.019550009,0.220218789,0.293625052,0.293625052,0.293625052,0.209159771,0.093520867,3.251629167,2.945530556,2.945530556,2.945530556,3.297744445,3.779950001,0.220218789,0.293625052,0.293625052,0.293625052,0.209159771,0.093520867,6.73287657,10.40605991,10.40605991,10.40605991,6.179493238,0.393026567,23.69925001,20.47920002,20.47920002,20.47920002,16.25263335,4.679700006,6,2.222222222,3,6,2,4,2.12,0.911,2.289428485,0,5.656854249,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.099,0.064,0.179,0.192,2.662,6,4,0,0,0,0,0,0,0,21,1.945910149,2.397895273,2.197224577,0,0,0,0,0,0,0,3.433987204,1.428571429,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.8,0,2,3,0.5,2,0.888888889,0,0,0,0,0,0,0,0,0.4,0.148148148,0,0,0,0,0,0,0,0,0.548148148,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,0,109.6959078,3.584962501,3.135494216,3.761200116,4.465908119,5.141663557,5.837730447,6.52649486,7.220373837,7.912423121,8.605753368,63.60704164,2.397895273,0,3.555348061,0,4.875197323,0,6.244166901,0,7.626082758,7.917536354,84.09390038,4.671883355,10.52364588,1.75394098,0,0,0,29,4,2.434,22,1.207397348,2.076070663,3.099017007,3.706345804,4.288018608,0,0,0,0,0,72.12673237,84.02992438,103.0806451,28.4916887,4.356901339,0,0,0,0,0,272.899674,335.0632511,508.7507125,301.6988606,133.2876745,0,0,0,0,0,8.777829678,14.70853224,22.26744727,25.79083711,28.80889865,0,0,0,0,0,2.073528238,2.685589355,4.282004633,3.1391732,1.906508409,0,0,0,0,0,173.4229391,327.0373382,461.4684678,614.4862624,792.9303329,0,0,0,0,0,2.950649301,3.943345921,6.753972713,5.935698491,4.288018608,0,0,0,0,0,0.43011254,0.563977646,0.903750156,0.68628874,0.439093105,0,0,0,0,0,273.1188079,89.91600691,7.493000576,61.13617844,-20.12721527,-3.16572961,211.9826295,110.0432222,10.65873019,0.817097183,0.269004235,0.02241702,0.182902817,-0.060215153,-0.009471002,91.29132342,30.05487366,2.504572805,20.43507249,-6.727622067,-1.058160908,0.083333333,0.233834161,2.003888872,2.507635237,334.2549864,0,1,0,330.7653333,18.18695503,6.915761305,451.0810708,21.23866923,7.66922597,516.7357725,22.7318229,8.024589822,1.174474866,1.09302944,269.665614,166.9423761,115.5297772,1.615321528,2.334165447,1.445015996,3.598200283,3.239646161,5.351274373,0.651808286,4.959674166,4.10106849,1.757912373,10.05386828,3.378503924,6.287003306,2.636942367,5.689021818,3.846190723,0.296444448,1.07E-18,9.84E-58,1.76E-118,6.11E-201,4.08E-305,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.416233732,4.087452346,0.085430023,5.758451828,1.638604583,0.310923391,1.331889407,0.420527082,0.027102689,0.002087882,7.55E-21,6.93E-60,1.24E-120,4.30E-203,2.87E-307,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.343646787,4.088362308,0.316697579,6.277984947,1.954930244,1.146489184,1.53930057,1.395014345,0.282323716,0.021757345,7.87E-20,7.22E-59,1.29E-119,4.48E-202,2.99E-306,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.681527998,4.099573594,1.616566776,9.664521702,3.258253574,5.78520661,2.536183508,5.330784482,3.42689609,0.264126666,9.55E-19,8.76E-58,1.57E-118,5.44E-201,3.63E-305,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.980286775,4.089542027,0.508152933,6.740703943,2.183605807,1.834179451,1.69919361,2.093935973,0.613211239,0.047259861,1.71E-19,1.57E-58,2.81E-119,9.74E-202,6.50E-306,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.98952423,4.107354304,2.325484732,11.63894325,3.839331859,8.299286363,3.033697088,7.05595248,5.609263167,0.432336367,1.56E-18,1.43E-57,2.57E-118,8.91E-201,5.95E-305,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.780164003,3.802255508,0.670242117,7.335412524,2.643024829,2.692662861,2.056826814,2.981517146,1.078047866,0.083086506,3.01E-19,2.76E-58,4.95E-119,1.71E-201,1.14E-305,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.786242679,2.153601757,0.352975157,0.526419356,0.406891208,0.698229007,0.691708542,0.444440771,5.292819593,7.744099496,15.15493139,0.399965845,1.834378319,1.908898088,1.297556936,0.076095878,0.581528861,0.395289205,0.327768692,0.251133254,0.020656078,3.282550902,2.720901965,6.191935048,0.465227099,0.599558025,2.257350149,1.637550886,0.186063341,0.553141351,0.401265665,0.458335199,0.399961667,0.123494392,4.080964375,4.421224034,9.189976336,0.431610525,0.981791258,2.764522027,2.132408572,0.346120406,0.527273533,0.406711392,0.687386752,0.678163989,0.427346372,5.243051005,7.590018075,14.87348019,0.400977387,1.792897113,2.412669891,1.789099867,0.235080365,0.543779894,0.403236489,0.523568762,0.47740557,0.197132542,4.436850123,5.304260948,10.7558372,0.420524575,1.198106874,2.854244266,2.219951939,0.374435552,0.523846058,0.407432919,0.732721637,0.734978511,0.500126384,5.448631757,8.23624455,16.05740671,0.396918465,1.967826532,2.766496532,2.134038945,0.345771583,0.527322648,0.406769737,0.688368983,0.679201356,0.426485438,5.24630706,7.59827725,14.8859545,0.401138578,1.794055777 +UMLS0107,L,"2,3-Dimethyl-2-Butene",CC(=C(C)C)C,11250,,"Sandia, UML",[1],C6H12,PubChem,,16.9,0,0.4804,0.23078416,25.857,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,890.291353,1115.814094,937.17398,254.239776,18.289152,0,0,0,2644.81273,3144.163273,3956.119707,3802.835659,2241.926113,559.5073998,0,0,0,118.238936,111.372268,196.107592,227.226368,222.86016,120.932352,0,0,0,19.03383305,23.6303831,31.19832786,30.87993833,21.90649449,8.003032287,0,0,0,2668.599586,2191.74623,4315.593522,4860.479151,5167.588057,3328.517736,0,0,0,75.55555556,41.88888889,64.33333333,98,78,18,0,0,0,61.71557788,59.35275687,41.32644793,31.23913267,8.4746592,1.016064,0,0,0,165.3007956,209.6108849,146.5229521,126.7611886,74.73087045,31.08374443,0,0,0,7.3899335,7.424817867,7.263244148,7.574212267,7.428672,6.718464,0,0,0,1.189614566,1.575358873,1.155493625,1.029331278,0.730216483,0.444612905,0,0,0,166.7874742,146.1164153,159.8367971,162.0159717,172.2529352,184.917652,0,0,0,4.722222222,2.792592593,2.382716049,3.266666667,2.6,1,0,0,0,0.121025513,-0.048030778,0.007378934,0.012116105,-0.045179696,0.013202678,0,0,0,523.7576238,-43.92541314,140.7294365,-306.3358488,-396.9373015,344.590315,0,0,0,766.4429154,-94.95499335,89.28516151,-470.164965,-405.3582493,497.9715884,0,0,0,1.03666,-0.00156025,0.14481275,-0.3496845,-0.5478825,0.2359845,0,0,0,3.391946473,-0.464107523,-0.097110631,-1.973119717,-1.027398234,1.865762869,0,0,0,18.82152525,-2.587911668,-1.351021359,-10.63137114,-4.418058908,9.577600449,0,0,0,33.30555556,-1.918402778,4.546875,-8.03125,-18.28125,7.03125,0,0,0,0.007564095,-0.003202052,2.73E-04,4.04E-04,-0.00150599,7.33E-04,0,0,0,32.73485148,-2.928360876,5.212201354,-10.21119496,-13.23124338,19.14390639,0,0,0,47.90268221,-6.33033289,3.306857834,-15.6721655,-13.51194164,27.66508825,0,0,0,0.06479125,-1.04E-04,0.005363435,-0.01165615,-0.01826275,0.01311025,0,0,0,0.211996655,-0.030940502,-0.00359669,-0.065770657,-0.034246608,0.103653493,0,0,0,1.176345328,-0.172527445,-0.050037828,-0.354379038,-0.14726863,0.532088914,0,0,0,2.081597222,-0.127893519,0.168402778,-0.267708333,-0.609375,0.390625,0,0,0,-0.423322557,0.036130412,0.053393061,-0.199097175,0.096968925,0,0,0,-0.089456978,0.159224836,-0.311936499,-0.404194392,0.584817267,0,0,0,-0.132149863,0.069032832,-0.327166763,-0.282070669,0.577526914,0,0,0,-0.001605412,0.082780239,-0.179903151,-0.281870623,0.202345996,0,0,0,-0.145948065,-0.016965787,-0.310243845,-0.161543152,0.488939285,0,0,0,-0.146663943,-0.042536683,-0.301254257,-0.125191665,0.452323736,0,0,0,-0.061440089,0.080900751,-0.128607173,-0.292743953,0.18765638,0,0,0,1.120424891,0.715627764,1.397238433,1.396558834,0.003208833,0,0,0,1.170927332,0.787366103,1.36885108,1.337055762,0,0,0,0,1.491123972,1.004070686,1.306269823,1.044504574,0,0,0,0,0.512040592,0.518095508,1.577122682,1.700571065,0,0,0,0,1.594610489,1.112433977,1.303290045,0.898214131,0,0,0,0,1.599979575,1.132286945,1.309539338,0.871412624,0,0,0,0,0.580483736,0.518950978,1.531276063,1.711426188,0,0,0,0,17.73713436,8.99356718,13.33074871,17.90380103,2.983966838,8.993899536,0.25,0.077420581,0.01290343,-1.535101575,15.29858361,2.549763935,1.63665615,17.73880157,8.994033576,13.33137525,17.90497863,2.984163104,8.994365704,0.249265579,0.077403381,0.012900563,-1.535234891,15.29833085,2.549721808,1.636646236,19.2227029,9.411854209,13.93887979,18.95670658,3.159451096,9.41204538,-0.398994478,0.057986566,0.009664428,-1.708526353,15.2947886,2.549131433,1.636507293,17.74055136,8.994523081,13.33203293,17.90621456,2.984369094,8.994854969,0.2484948,0.07738532,0.012897553,-1.535374908,15.29806594,2.549677656,1.636635847,20.80762516,9.862665448,14.75359568,20.08609565,3.347682608,9.862780214,-1.082294264,0.024002671,0.004000445,-2.237754109,16.47012243,2.745020405,1.680928787,17.91181893,9.04247656,13.39696242,18.02724172,3.004540287,9.042786098,0.173134186,0.075573465,0.012595577,-1.549590033,15.27409251,2.545682084,1.635694856,21.40495641,10.79208824,16.48633804,21.60924212,3.601540354,10.79214945,0.612857143,0.129666786,0.021611131,-1.225672383,14.22271898,2.370453163,1.592904369,0,11.89,15.99491589,-0.29920706,0.193066775,4.115247042,7.174253512,5,15,14,14,4,1,1,0,0,1,11.89007,3.552324808,2.858496616,2.333552793,2.067506861,1.184248022,0.083923071,0.083923071,0.083923071,1.83786375,1.446782794,1.249629723,0.649877297,0.144254282,0.083923071,0.083923071,0.083923071,3.5117139,2.848771772,2.405454588,1.961658367,1.194083734,0.270913902,0.270913902,0.270913902,1.807055976,1.374479688,1.134540686,0.643199569,0.163951732,0.270913902,0.270913902,0.270913902,3.651066943,3.076952739,2.704236987,2.342255858,1.660787366,0.943918427,0.943918427,0.943918427,1.624145838,1.077544944,0.76031856,0.232798157,0.365844096,0.943918427,0.943918427,0.943918427,3.512580739,2.867930093,2.457539916,1.954064441,1.227034073,0.399277246,0.399277246,0.399277246,1.791091456,1.329603574,1.058262671,0.646503041,0.116340018,0.399277246,0.399277246,0.399277246,3.685244024,3.157972182,2.838982085,2.408609267,1.811586248,1.207644823,1.207644823,1.207644823,1.586002574,0.995780522,0.631337262,0.154796114,0.50548803,1.207644823,1.207644823,1.207644823,4.646873846,3.253551155,2.738099794,2.587517045,1.52928356,0.555555556,0.555555556,0.555555556,1.70062849,1.149755988,0.920850378,0.306061131,0.433081699,0.555555556,0.555555556,0.555555556,0,0,0,1,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.666666667,0,0.333333333,0,0.406526265,0,0.11785113,0,1.333333333,0,0,0.642228525,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,4.48559856,2.147499818,1.765350948,0.81305253,0,0,0,0,0.74759976,0.429499964,0.294225158,0.203263132,0,0,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,1.2314,25.519,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,24,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,2,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.14351852,0.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.013194444,0.802777778,0,0,0,0,0,0,0,0,0,0,5.384259259,0,0,0,0,0,0.212962963,0,0,0.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.14351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.14351852,0.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305902778,0.401388889,0,0,0,0,0,0,0,0,0,0,1.601851852,0,0,0,0,0,0.212962963,0,0,0.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.14351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.14351852,0.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,1.891203704,0,0,0,0,0,0.212962963,0,0,0.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.14351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,2.666666667,0.565972222,10.14351852,0.305902778,0.212962963,2.379953704,1.407407407,3.143518519,6.287037037,1.407407407,3.143518519,6.287037037,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.42,0.49792,0.82778,0.07792,0,-0.07792,0,0.57047,0.14382,0,0.64706,0.35294,0,4.25,0.70833,2.75,0.45833,1.5,0.25,-1.25,-0.20833,0,0,4.3321,0.72202,6.13075,1.79864,0.29977,1.92436,0.32073,2.64272,0.71836,0.11973,0.27128,0.04521,0.27128,0.04521,0,5.01,1,1,1,1,0,0,0.8,1.198192411,1.798794941,2.608458593,2.608458593,2.108458593,0.983458593,19.17107858,28.78071905,41.73533749,41.73533749,33.73533749,15.73533749,0.299548103,0.449698735,0.652114648,0.652114648,0.527114648,0.245864648,2.801807589,2.201205059,1.391541407,1.391541407,1.891541407,3.016541407,0.299548103,0.449698735,0.652114648,0.652114648,0.527114648,0.245864648,10.71860945,17.9258398,18.7418391,18.7418391,12.7418391,0.991154188,21.96987352,15.23794941,15.79229297,15.79229297,12.79229297,4.542292967,6,2.222222222,3,6,1,4,1.9,0.8288,1.144714243,0,4.242640687,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.437,0.423,0.559,0.164,2.661,6,4,0,0,0,0,0,0,0,21,1.945910149,2.197224577,1.945910149,0,0,0,0,0,0,0,3.295836866,1.238095238,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,3,0.5,2,0.888888889,0,0,0,0,0,0,0,0,0.4,0.148148148,0,0,0,0,0,0,0,0,0.548148148,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,17.07,101.1901498,3.584962501,3.135494216,3.761200116,4.465908119,5.141663557,5.837730447,6.52649486,7.220373837,7.912423121,8.605753368,63.60704164,2.397895273,0,3.555348061,0,4.875197323,0,6.244166901,0,7.626082758,7.917536354,86.07316494,5.379572809,10.52364588,1.75394098,2.325355914,2.325355914,0,29,4,0.731,22,1.2268,2.112273498,2.936455353,3.543726032,4.197361673,0,0,0,0,0,82.78024119,99.43300452,98.02033774,30.88606211,4.264788091,0,0,0,0,0,280.7281514,338.7474884,388.3148092,273.1542496,130.4697175,0,0,0,0,0,9.137724337,15.46111316,22.29503064,26.28984473,28.19982329,0,0,0,0,0,2.061570699,2.604148865,3.115659422,2.663772251,1.866201166,0,0,0,0,0,177.2249115,333.1140169,473.214072,606.6646325,776.1662652,0,0,0,0,0,3.474488889,5.38269341,9.784769913,9.151975701,4.197361673,0,0,0,0,0,0.444136,0.584687302,0.739948472,0.64364208,0.429809835,0,0,0,0,0,322.6707562,134.359726,8.512437561,121.3884158,-50.54599457,-18.50604676,201.2823404,184.9057206,27.01848432,0.726639098,0.302571672,0.019169602,0.273360902,-0.11382716,-0.041674731,143.2849088,59.66366869,3.780025974,53.9036394,-22.44541249,-8.217779799,0.317218128,0.718521233,1.197129881,35.99383467,393.964849,50.09432293,0.887189983,0.112810017,382.2140291,19.55029486,7.257196369,479.08439,21.88799648,7.824753652,611.4113532,24.72673357,8.487461806,1.159112747,1.040951324,233.4267505,158.5192234,106.3467503,1.472545383,2.194958941,1.490588315,3.39504454,3.222561645,5.273470069,0.636421782,2.80222057,3.881199419,2.709266493,7.784781741,2.86081283,3.111567086,4.886055172,5.131357284,2.461198564,0.01085568,1.87E-23,6.42E-66,4.38E-130,5.92E-216,1.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.251664719,3.881080659,0.201990091,4.336793933,0.931516546,0.919338075,0.409134184,0.320194317,0.017334423,7.65E-05,1.32E-25,4.52E-68,3.09E-132,4.17E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765026468,3.880971071,0.542792253,4.627942783,1.09377705,0.964945955,1.085667717,1.103667272,0.18063805,7.97E-04,1.37E-24,4.71E-67,3.22E-131,4.35E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650178473,3.881244822,2.787757271,7.712929945,2.786030527,3.439385079,4.615801482,4.772915705,2.192883611,0.009672216,1.66E-23,5.72E-66,3.91E-130,5.28E-216,1.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.11993283,3.880940732,0.753357849,4.959927952,1.242163042,1.041563384,1.598293318,1.698852241,0.392369982,0.001730638,2.98E-24,1.02E-66,6.99E-131,9.44E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.384110175,3.881325441,3.645535655,8.928064341,3.726663568,4.047837501,6.329571615,6.563412229,3.589426799,0.01583199,2.72E-23,9.36E-66,6.39E-130,8.63E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.711806416,3.262892239,2.606365586,7.43311469,2.406955652,5.31440885,3.003147445,2.750405352,0.759629187,0.003350519,5.77E-24,1.98E-66,1.35E-130,1.83E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.598658955,1.301992849,0.509328437,0.589267709,0.295237796,0.52892672,0.484286219,0.472679123,4.409980241,5.370148262,11.50340835,0.383901564,1.485892061,1.725742287,1.143545858,0.184731406,0.565072442,0.3744396,0.313389411,0.305763616,0.051325346,3.054019551,2.503513077,5.922093674,0.409268063,0.670478373,2.079648598,1.112532078,0.311022732,0.593641977,0.317575644,0.343915002,0.350916682,0.171602382,3.503203408,3.306516532,7.529325701,0.390462966,0.866434065,2.52681693,1.339035032,0.502781804,0.578399808,0.306511167,0.501064747,0.507526508,0.453696391,4.368633765,5.32717641,11.39697059,0.367599712,1.462287646,2.281638498,1.105794666,0.363653296,0.608260706,0.294793169,0.408678339,0.351768348,0.243117547,3.751086461,3.754874918,8.423467257,0.412391059,1.003564234,2.651894008,1.340171283,0.535605181,0.585708263,0.295995765,0.550739762,0.512065897,0.52162199,4.527670473,5.692163051,12.12337016,0.378562395,1.584427649,2.528837175,1.344784414,0.502634491,0.577854021,0.30729107,0.501933529,0.511638456,0.452654068,4.37625608,5.347756636,11.43334235,0.366781032,1.466226054 +UMLS0108,L,3-Methyl-2-butanone,CC(C)C(=O)C,11251,Opting for Sandia/UML values,"Sandia, UML",[9],C5H10O,PubChem,,-2.7,0,1.4529,2.11091841,36.4724,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1725.25417,1698.001544,987.012939,272.79504,27.433728,0,0,3947.642614,5029.877407,7256.714489,8778.467523,7488.257092,3743.781294,839.2610996,0,0,181.25648,180.900988,339.488488,447.40304,623.892972,490.914432,181.398528,0,0,30.31423229,39.56609758,59.5007813,76.19789159,75.14314174,44.05289444,12.00454843,0,0,4342.872585,3643.766351,7595.322043,9785.84112,15132.82441,12741.75907,4992.776605,0,0,43.59027778,51.16666667,77.20833333,113.25,134.25,90,27,0,0,45.09238923,49.11105724,35.94279521,26.95240546,10.96681043,3.78882,1.016064,0,0,151.8324082,201.1950963,151.1815518,139.3407543,83.20285658,51.99696242,31.08374443,0,0,6.971403077,7.23603952,7.072676833,7.101635556,6.932144133,6.818256,6.718464,0,0,1.165932011,1.582643903,1.23959961,1.209490343,0.834923797,0.611845756,0.444612905,0,0,167.033561,145.7506541,158.2358759,155.3308114,168.1424935,176.9688759,184.917652,0,0,1.676549145,2.046666667,1.608506944,1.797619048,1.491666667,1.25,1,0,0,0.034868372,-0.009829724,0.012622776,-0.020707288,-0.018771179,0.004667458,0.014583771,0,0,670.5194345,-58.02572029,196.2845353,-544.438857,-393.2854375,154.7352541,309.4705082,0,0,1246.859521,-107.9013047,364.999475,-1012.407303,-731.331065,287.7368124,575.4736249,0,0,0.131350154,-0.01136684,0.038450793,-0.106651834,-0.077041917,0.030311574,0.060623148,0,0,5.574042193,-0.482369036,1.63171748,-4.525931695,-3.269390132,1.286317429,2.572634858,0,0,30.27828566,-2.620236259,8.863515246,-24.5849328,-17.75937909,6.987296691,13.97459338,0,0,4.000267094,-2.491442719,2.22066075,-1.212986933,-1.724482249,-0.269970414,1.478088018,0,0,0.001341091,-3.93E-04,2.63E-04,-3.29E-04,-2.09E-04,6.48E-05,5.40E-04,0,0,25.78920902,-2.321028812,4.089261152,-8.64188662,-4.369838195,2.149100751,11.46187067,0,0,47.95613541,-4.316052187,7.60415573,-16.06995719,-8.125900722,3.996344617,21.31383796,0,0,0.005051929,-4.55E-04,8.01E-04,-0.001692886,-8.56E-04,4.21E-04,0.002245302,0,0,0.214386238,-0.019294761,0.033994114,-0.071840186,-0.036326557,0.01786552,0.095282773,0,0,1.164549448,-0.10480945,0.184656568,-0.390237029,-0.197326434,0.097045787,0.517577533,0,0,0.153856427,-0.099657709,0.046263766,-0.019253761,-0.019160914,-0.003749589,0.054744001,0,0,-0.293185851,0.196089935,-0.245089295,-0.155521598,0.048338106,0.402761303,0,0,-0.09,0.158564815,-0.335097002,-0.169444444,0.083333333,0.444444444,0,0,-0.09,0.158564815,-0.335097002,-0.169444444,0.083333333,0.444444444,0,0,-0.09,0.158564815,-0.335097002,-0.169444444,0.083333333,0.444444444,0,0,-0.09,0.158564815,-0.335097002,-0.169444444,0.083333333,0.444444444,0,0,-0.09,0.158564815,-0.335097002,-0.169444444,0.083333333,0.444444444,0,0,-0.647731856,0.300694398,-0.125141089,-0.124537624,-0.024370702,0.355812245,0,0,1.83000019,0.807150078,1.465824467,1.118834906,0.659196746,9.42E-05,0,0,1.625,1.03443287,1.57627866,1.053240741,0.564236111,0,0,0,1.625,1.03443287,1.57627866,1.053240741,0.564236111,0,0,0,1.625,1.03443287,1.57627866,1.053240741,0.564236111,0,0,0,1.625,1.03443287,1.57627866,1.053240741,0.564236111,0,0,0,1.625,1.03443287,1.57627866,1.053240741,0.564236111,0,0,0,2.25332176,0.509948588,1.374329527,1.126226881,0.781197837,0,0,0,32.63033722,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,-3.55E-15,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,32.63033722,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,-3.55E-15,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,32.63033722,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,-3.55E-15,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,32.63033722,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,-3.55E-15,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,32.63033722,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,-3.55E-15,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,32.63033722,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,-3.55E-15,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,46.41952658,23.05811398,34.31794781,46.19205262,5.774006577,23.05811398,-0.303298611,0.08659039,0.010823799,-1.95725315,25.42394399,3.177992999,2.588553125,0,11.89,12.11011416,-0.158168268,0.063317183,5.598556974,9.218400949,7,25,25,25,7,0,0,0,0,0,19.677726,3.61529844,3.07136948,2.633404258,2.333552793,2.333552793,1.838393289,1.227434618,0.406441823,1.962164385,1.646394991,1.404041859,1.249629723,1.249629723,0.890079348,0.470045972,0.083923071,3.637374815,3.111265539,2.690693159,2.405454588,2.405454588,1.922740797,1.330945089,0.522639921,1.908928043,1.565545347,1.302544748,1.134540686,1.134540686,0.761132528,0.322939144,0.270913902,3.736755696,3.285747906,2.934594266,2.704236987,2.704236987,2.270668972,1.75081996,0.962616277,1.757042216,1.320226725,0.981451671,0.76031856,0.76031856,0.335350532,0.1724602,0.943918427,3.653762855,3.140636618,2.732524027,2.457539916,2.457539916,1.983732675,1.405408281,0.604396897,1.875432491,1.513357117,1.235954466,1.058262671,1.058262671,0.67516596,0.224165091,0.399277246,3.786501259,3.369573086,3.047746735,2.838982085,2.838982085,2.425698103,1.934019927,1.207644823,1.711220202,1.241780195,0.874195211,0.631337262,0.631337262,0.18626698,0.349920217,1.138227377,3.606859787,3.187135367,2.846756186,2.607254599,2.607254599,2.056158302,1.442974693,0.615591084,1.9109678,1.448096619,1.109485706,0.903112587,0.903112587,0.572795623,0.146082334,0.568047337,0,0,0,0,0,5,1,1,1,0,0,0,0,0,0,0,0,0,0,1.570149549,0.288675135,0.612372436,0.204124145,1.570149549,0.288675135,0.612372436,0.204124145,2.29489442,1.717544151,0.816496581,2.29489442,1.717544151,0.816496581,6.78445705,3.481380475,3.675321265,2.090770275,0.612372436,0,0,0,0.848057131,0.497340068,0.367532126,0.261346284,0.204124145,0,0,0,6.78445705,3.481380475,3.675321265,2.090770275,0.612372436,0,0,0,0.848057131,0.497340068,0.367532126,0.261346284,0.204124145,0,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,43,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,5,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,11.42997685,0,1.295138889,0,0,0,0.849537037,0,0,0,0,0,0.508680556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.245949074,0,1.295138889,0,0,0,0.849537037,0,0,0,0,0,0.508680556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.305555556,0,1.295138889,0,0,0,0.849537037,0,0,0,0,0,0.508680556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.08333333,1.760416667,0.2,2.305555556,0,0.508680556,6.047686921,0.741319444,0.305555556,2.859953704,0.741319444,0.305555556,2.859953704,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.625,0.125,0.125,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.87351,1.23419,9.87351,0,0,3.48137,0.43517,3.48137,0,0,0.43263,0.05408,0.43263,0.05408,0,7,0,0,0,0,0,0,1,0.89049164,1.36704393,2.186661009,2.977594044,2.796807901,2.073663329,23.15278265,35.54314217,56.85318624,77.41744515,72.71700543,53.91524656,0.189448582,0.290833201,0.4652035,0.633471382,0.595009844,0.44116369,3.809948078,3.333395788,2.513778709,1.722845674,1.903631817,2.626776389,0.191756937,0.294376887,0.470871819,0.641189977,0.6022598,0.446539093,6.648700044,12.36732752,16.0913829,16.88850501,14.71907129,8.028569344,31.72521615,23.58736256,19.5115274,19.56928622,18.48456937,15.04963265,8,2.52,2.8125,8,0,5,2.34,1.2358,3.453222023,2.251600064,2.871745887,3.494135594,0,1,0.5,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.131,0.009,0.004,3.126,10,8,3,0,0,0,0,0,0,36,2.079441542,2.397895273,2.197224577,1.386294361,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,7,1,0,2,4,1,3.5,1.555555556,0.375,0,0,0,0,0,0,0,0.5,0.155555556,0.046875,0,0,0,0,0,0,0,0.702430556,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,0,146.9243357,4,3.555348061,4.262679877,5.093750201,5.837730447,6.665683718,7.418780883,8.245121966,9.000976444,9.826552511,74.90662411,2.708050201,0,4.007333185,0,5.493061443,0,7.041411664,0,8.611593867,8.847216104,114.1408506,4.390032714,14.27506506,1.784383133,0,0,0,63,8,4.807,34,1.2278,2.115728773,2.940592732,3.483150921,4.039607182,5.232313993,0,0,0,0,71.2221278,87.331823,85.08575207,43.53259647,17.66410327,5.316365885,0,0,0,0,272.5498825,351.7650236,425.8101611,306.0325314,227.8379907,162.6399109,0,0,0,0,8.919363223,15.034845,20.9170714,24.18647133,27.62796807,35.1531132,0,0,0,0,2.081648384,2.816384767,3.652892859,3.01020965,2.613880005,2.326354323,0,0,0,0,176.77647,329.6995075,454.3505232,582.6750792,708.1227895,967.5472182,0,0,0,0,2.554006667,3.566333875,5.378081323,5.305411836,5.262181747,5.232313993,0,0,0,0,0.4321989,0.591022767,0.774424111,0.65397807,0.581882036,0.535788953,0,0,0,0,365.5889697,158.5222281,8.710041916,132.5246172,-57.46370746,-7.943168728,233.0643524,215.9859356,16.65321064,0.733946994,0.31824514,0.017486056,0.266053006,-0.115362658,-0.015946501,182.104833,78.96207565,4.338590221,66.01231246,-28.62345344,-3.956600267,0.069906388,0.149945248,1.110367255,8.544623402,498.1135869,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,802.7825626,28.33341777,9.293928139,1.356712851,1.205835205,402.2350976,350.6655414,175.5377837,1.147061944,2.291444549,1.997664172,4.005806409,3.220218461,6.42424645,0.994972244,5.020209962,6.639747311,3.146753005,33.39584926,5.779165731,8.175491935,12.12351992,15.87589566,7.307921636,6.848678346,1.605890969,1.126710556,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327401,0.172231541,11.19507196,2.520086018,0.198384417,0.791179373,0.828446203,1.079077926,0.085380733,0.01131149,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639356169,0.616509384,14.63444099,2.762175118,0.961711406,2.405323499,2.925947131,1.657705419,0.598086754,0.117866056,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639701459,2.907031473,31.65032007,5.429947728,7.381141141,11.18246914,14.61013113,6.681502245,6.127625593,1.430820678,1.00387882,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.639392825,0.969856243,17.31978142,3.054006229,1.742539166,3.720938774,4.655017803,2.260625367,1.207719227,0.256018195,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.639939952,4.099761049,40.29750171,7.242135323,11.46405312,15.88859003,20.95368588,9.905556565,9.866997258,2.34203757,1.643201455,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.089828701,5.15200951,1.26108368,21.23764515,3.989383164,3.224142371,5.84268694,7.252823959,3.679786561,2.365819604,0.518189813,0.363564458,2.59E-15,3.56E-51,9.43E-109,4.82E-188,4.75E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.232310161,1.571722687,1.031582922,0.553893589,0.269332792,0.494925825,0.487819114,0.472272603,5.83561577,10.03605345,21.11241501,0.330840383,1.455017542,2.529466781,0.994999333,0.543337743,0.621826143,0.244603567,0.302559108,0.194873012,0.131480342,4.067803857,4.431793224,9.867079162,0.432739214,0.628912462,2.81914177,1.232692723,0.744590252,0.587758991,0.257002411,0.376107664,0.299504578,0.246527139,4.796424745,6.49209201,13.87606881,0.381638487,0.922139381,3.215934427,1.558285398,1.020209206,0.555004541,0.268928205,0.489904897,0.479478868,0.46194868,5.79442903,9.882046673,20.78909464,0.332506812,1.431332445,2.943674118,1.334878993,0.831098655,0.576100731,0.261246569,0.410197152,0.351419973,0.306947737,5.109651766,7.485348477,15.86075981,0.364151097,1.068564862,3.283263549,1.613533025,1.066971913,0.550535044,0.270555946,0.510713156,0.514233391,0.505121608,5.963768487,10.52239857,22.13861526,0.325802567,1.530068155,3.223945742,1.562389465,1.022364074,0.555020253,0.268974066,0.492451654,0.482203964,0.463836146,5.808699282,9.930436029,20.88884333,0.332530379,1.438491763 +UMLS0109,L,"2,2,3-Trimethylpentane",CCC(C)C(C)(C)C,11255,,"Sandia, UML","[1], [4]",C8H18,PubChem,,9.7,0,0.4696,0.22052416,31.6134,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1289.413615,1247.086518,705.420914,187.959744,18.289152,0,0,3461.958223,4376.887272,5892.91255,6542.707301,5420.034116,2682.356663,559.5073998,0,0,160.279036,159.125208,296.711548,379.704408,437.680712,367.587072,120.932352,0,0,26.63610648,34.55010896,49.80024258,58.14276159,54.10499216,32.03627372,8.003032287,0,0,3846.242925,3210.7269,6660.186019,8682.960304,10516.12215,9604.011958,3328.517736,0,0,37.80555556,44.44444444,66,87.33333333,96,66,18,0,0,44.61329874,48.14991518,30.70032417,23.09419478,11.19715737,3.480736,1.016064,0,0,150.5199227,198.9494215,140.3074417,121.1612463,86.03228755,49.67327153,31.08374443,0,0,6.968653739,7.232964,7.064560667,7.031563111,6.947312889,6.807168,6.718464,0,0,1.158091586,1.570459498,1.185720062,1.076717807,0.858809399,0.593264328,0.444612905,0,0,167.2279533,145.9421318,158.5758576,160.7955612,166.9225738,177.8520733,184.917652,0,0,1.643719807,2.02020202,1.571428571,1.617283951,1.523809524,1.222222222,1,0,0,0.031819436,-0.007326065,-7.18E-04,-0.005132311,-0.0185107,0.006219816,0.009557796,0,0,589.5388264,-58.58770946,-8.010038403,-215.5844622,-377.8449544,163.4047834,201.8529677,0,0,1096.272622,-108.9463475,-14.89500845,-400.8885132,-702.6188272,303.8581724,375.354213,0,0,0.115486609,-0.01147693,-0.001569112,-0.042231516,-0.074017233,0.032009875,0.039541611,0,0,4.900848691,-0.487040864,-0.066587618,-1.792158178,-3.14103307,1.358387409,1.678007976,0,0,26.62148787,-2.645613702,-0.361704998,-9.735031668,-17.06214149,7.378781965,9.114965957,0,0,3.311594203,-1.754568368,0.402016383,0.543793321,-1.784656585,0.029300567,0.90831758,0,0,0.001383454,-3.33E-04,-1.71E-05,-9.50E-05,-2.94E-04,1.15E-04,5.31E-04,0,0,25.63212289,-2.663077703,-0.1907152,-3.992304855,-5.997538958,3.026014508,11.21405376,0,0,47.66402704,-4.952106706,-0.354643058,-7.423861355,-11.1526798,5.627003192,20.85301183,0,0,0.005021157,-5.22E-04,-3.74E-05,-7.82E-04,-0.001174877,5.93E-04,0.002196756,0,0,0.213080378,-0.022138221,-0.001585419,-0.033188114,-0.049857668,0.025155322,0.093222665,0,0,1.157455995,-0.120255168,-0.008612024,-0.180278364,-0.270827643,0.13664411,0.506386998,0,0,0.143982357,-0.079753108,0.009571819,0.010070247,-0.028327882,5.43E-04,0.050462088,0,0,-0.240704067,-0.012361315,-0.068699657,-0.212381971,0.083256697,0.38381382,0,0,-0.103896104,-0.007440476,-0.155753968,-0.233985261,0.118055556,0.4375,0,0,-0.103896104,-0.007440476,-0.155753968,-0.233985261,0.118055556,0.4375,0,0,-0.103896104,-0.007440476,-0.155753968,-0.233985261,0.118055556,0.4375,0,0,-0.103896104,-0.007440476,-0.155753968,-0.233985261,0.118055556,0.4375,0,0,-0.103896104,-0.007440476,-0.155753968,-0.233985261,0.118055556,0.4375,0,0,-0.553908892,0.066479108,0.069940838,-0.196745511,0.003768539,0.350474106,0,0,1.779126246,1.045180029,1.15074343,1.215252463,0.578893642,1.97E-05,0,0,1.642857143,1.183248299,1.254960317,1.14739229,0.501984127,0,0,0,1.642857143,1.183248299,1.254960317,1.14739229,0.501984127,0,0,0,1.642857143,1.183248299,1.254960317,1.14739229,0.501984127,0,0,0,1.642857143,1.183248299,1.254960317,1.14739229,0.501984127,0,0,0,1.642857143,1.183248299,1.254960317,1.14739229,0.501984127,0,0,0,2.164113786,0.75132854,0.953440311,1.309332778,0.738147338,0,0,0,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36.66771569,18.2128261,27.50219345,36.49481319,5.213544742,18.21282612,-0.242063492,0.031648572,0.004521225,-2.417143579,25.31665866,3.616665523,2.262023837,0,11.89,12.11009426,-0.163409124,0.057468363,5.441367979,8.270756013,6,22,22,22,6,0,0,0,0,0,17.491312,3.547091456,3.006727816,2.625332469,2.333552793,1.853163973,1.373147991,0.818880303,0.083923071,1.933625663,1.614659685,1.400273545,1.249629723,0.899030164,0.579772508,0.29344402,0.083923071,3.572575547,3.049614047,2.683051633,2.405454588,1.937022925,1.473944507,0.950986794,0.270913902,1.876026464,1.530418028,1.298376168,1.134540686,0.770731171,0.437160388,0.128999822,0.270913902,3.685697279,3.235898148,2.928576466,2.704236987,2.28293488,1.882095956,1.467025567,0.943918427,1.708478401,1.272462707,0.975707696,0.76031856,0.347249146,0.043413613,0.441766602,0.943918427,3.591408314,3.081117918,2.725184981,2.457539916,1.997659662,1.546401872,1.044765816,0.399277246,1.839505092,1.475848305,1.231499507,1.058262671,0.685210023,0.341388863,0.0174233,0.399277246,3.741381865,3.32465606,3.042370063,2.838982085,2.437090457,2.059937866,1.683446735,1.207644823,1.656875508,1.189153554,0.867806618,0.631337262,0.199017248,0.215751764,0.654087056,1.207644823,3.556661354,3.149113765,2.852668766,2.61879123,2.081679667,1.600884837,1.130589446,0.575342466,1.861756535,1.392574014,1.093101619,0.892763832,0.572621593,0.250751474,0.100577264,0.575342466,0,0,0,0,0,4,1,2,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.569035594,0,0.23570226,0,1.276142375,0.707106781,0.23570226,1.276142375,0.707106781,0.23570226,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.6885,34.293,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,4,0,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,9.081018519,0,1.31712963,0,0,0,1.768518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.240740741,0,1.31712963,0,0,0,0.865740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.296296296,0,1.31712963,0,0,0,0.902777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.16666667,1.738095238,0.2,2.296296296,0.2,0.865740741,5.309476852,0.467592593,0.296296296,2.162037037,0.467592593,0.296296296,2.162037037,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.57143,0.28571,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.55695,1.07956,7.55695,0,0,3.18073,0.45439,3.18073,0,0,0.23327,0.03332,0.23327,0.03332,0,6,0,0,0,0,0,0,1,0.886540893,1.306170652,2.272499456,2.782731521,2.782982088,2.278459357,20.39044053,30.04192499,52.26748748,64.00282497,64.00858803,52.4045652,0.195982923,0.288748262,0.502369477,0.615163791,0.615219182,0.503687001,3.637021063,3.217391304,2.2510625,1.740830436,1.740579868,2.2451026,0.19880132,0.292900702,0.509593968,0.624010358,0.624066546,0.510930439,6.634953582,11.67051069,15.15114862,15.66537327,14.82033975,7.826158094,27.76507516,21.21742031,18.72159455,18.5427486,15.32960231,11.000393,7,3.06122449,2.666666667,7,0,5,2.23,1.0949,1.944161297,1.941967087,4.930998067,0,0,1.414213562,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,2.811,7,6,2,0,0,0,0,0,0,28,1.945910149,2.079441542,1.945910149,1.098612289,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,2,1.111111111,0.25,0,0,0,0,0,0,0,0.333333333,0.158730159,0.041666667,0,0,0,0,0,0,0,0.533730159,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,0,129.6283511,3.807354922,3.295836866,3.970291914,4.691347882,5.398162702,6.120297419,6.834108739,7.556427969,8.272059622,8.994296558,68.13282967,2.564949357,0,3.713572067,0,5.056245805,0,6.463029457,0,7.890956716,8.168486417,100.1252005,4.353269587,12.50524286,1.786463266,0,0,0,46,6,4.201,26,1.224818182,2.110657079,2.894505449,3.511633513,4.185783688,5.352201744,0,0,0,0,69.72220731,74.05869283,74.56712261,45.48046627,16.59196324,5.438179512,0,0,0,0,268.787596,322.8305105,372.2390591,323.9122253,223.1749698,166.3664711,0,0,0,0,8.893455721,14.97231911,20.39963401,24.46277228,28.56611771,35.95857474,0,0,0,0,2.059771149,2.666275448,3.246447642,3.161677674,2.605250183,2.379657965,0,0,0,0,176.6115071,330.2656746,462.0932757,581.1491615,738.6527364,989.7165796,0,0,0,0,2.523888889,3.443557609,4.803360557,5.514555883,5.298299459,5.352201744,0,0,0,0,0.427911136,0.562382111,0.691176692,0.685527963,0.58170642,0.548065459,0,0,0,0,362.7794696,141.3189035,8.686955574,130.4490063,-50.81574917,-7.82937436,232.3304633,192.1346527,16.51632993,0.735520124,0.286518136,0.017612437,0.264479876,-0.103026795,-0.015873727,178.9331648,69.70250739,4.284653857,64.34116453,-25.06377451,-3.861670382,0.076653362,0.166681099,1.217533687,9.498315139,493.2284758,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,629.2361872,25.08458067,8.569152997,1.356712851,1.205835205,381.1611578,287.3251537,129.8528154,1.326584717,2.935332259,2.212698684,3.89945406,3.220218461,6.42424645,0.994972244,4.462408855,5.691170425,2.670859423,23.44903725,6.568018348,4.460822489,7.840284493,15.46295756,5.403743144,5.57390701,0.884220332,1.126710553,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851779,0.160901199,7.713112089,1.533703778,0.102791063,0.6539462,0.741540241,1.016461953,0.07636488,0.006228704,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690873702,0.561082962,9.930973606,1.884584279,0.51069496,1.816010774,2.720038211,1.391533131,0.504429319,0.064899514,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691135664,2.477525131,22.13398855,6.020416409,4.023630434,7.292506695,14.1985964,4.951033146,4.991801439,0.787825132,1.003878818,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690901554,0.869096106,11.74865753,2.326388017,0.93372398,2.704239123,4.38299142,1.803544999,1.004375125,0.140967789,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691316452,3.431738913,28.71740714,8.867368033,6.27302031,9.990898028,20.55662075,7.288983235,8.007985494,1.289548769,1.643201451,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.738867285,4.639785482,1.180010206,14.29610882,3.50990534,1.78101957,4.220876504,7.072385979,2.932730792,2.004840631,0.292698288,0.372962547,2.66E-15,3.65E-51,9.67E-109,4.94E-188,4.87E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.409035317,1.704461349,0.582939676,0.598450525,0.299215377,0.518520097,0.512568309,0.476247191,5.696436342,8.791429024,17.87507654,0.397675787,1.507335596,2.689902903,1.117151704,0.179997962,0.674659503,0.280194877,0.322129938,0.218919599,0.045698738,3.987052569,3.690291683,8.218243458,0.511989254,0.586748274,2.987733602,1.360420251,0.346923927,0.636354442,0.289754572,0.397779233,0.325459557,0.16928563,4.695077779,5.573051905,11.67822741,0.454531663,0.89252442,3.39241501,1.690890645,0.573631075,0.599691171,0.298905702,0.513451681,0.504376318,0.461220994,5.656936731,8.652144896,17.59954581,0.399536756,1.479048993,3.115148846,1.464478904,0.418315533,0.623286154,0.293016311,0.432596856,0.377539683,0.245848303,4.997943284,6.477799193,13.38412713,0.434929231,1.055984842,3.460708812,1.746652595,0.611879594,0.594701063,0.300151273,0.534438361,0.538463761,0.5244895,5.819241002,9.230934212,18.74877689,0.392051595,1.597391623,3.402482445,1.696238688,0.573949136,0.599802612,0.29901944,0.516598301,0.507803524,0.461558273,5.672670269,8.697828948,17.68300209,0.399703918,1.485960099 +UMLS0110,L,"2,3-Dimethylpentane",CCC(C)C(C)C,11260,,"Sandia, UML",[1],C7H16,PubChem,,2.6,0,1.2792,1.63635264,37.0709,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1604.188161,1631.4554,1098.934372,339.341184,36.578304,0,0,3947.642614,5029.877407,7031.587075,8276.550291,7433.630806,4245.698526,1119.0148,0,0,181.25648,180.900988,339.464772,445.008032,563.450512,493.30944,241.864704,0,0,30.31423229,39.56609758,58.49435701,72.18430316,72.14804988,48.06648287,16.00606457,0,0,4342.872585,3643.766351,7589.85513,9976.611746,13474.03246,12550.98844,6657.035473,0,0,43.33333333,50.88888889,76.11111111,106.3333333,125,96,36,0,0,45.09238923,49.11105724,33.42058669,25.89611746,13.56709101,4.713072,1.016064,0,0,151.8324082,201.1950963,146.4913974,131.3738141,91.77321982,58.96803508,31.08374443,0,0,6.971403077,7.23603952,7.07218275,7.063619556,6.95617916,6.85152,6.718464,0,0,1.165932011,1.582643903,1.218632438,1.14578259,0.890716665,0.66759004,0.444612905,0,0,167.033561,145.7506541,158.1219819,158.3589166,166.3460797,174.3192839,184.917652,0,0,1.666666667,2.035555556,1.585648148,1.687830688,1.543209877,1.333333333,1,0,0,0.035356454,-0.008760398,0.003804151,-0.009513052,-0.015444237,-0.007079366,0.019314675,0,0,670.5194345,-58.02572029,75.2185263,-320.9323789,-375.3762646,-68.77122405,412.6273443,0,0,1246.859521,-107.9013047,139.8720616,-596.7874628,-698.0281931,-127.8830278,767.2981665,0,0,0.131350154,-0.01136684,0.014734793,-0.06286845,-0.073533633,-0.013471811,0.080830864,0,0,5.574042193,-0.482369036,0.625293195,-2.667917631,-3.1205108,-0.571696635,3.430179811,0,0,30.27828566,-2.620236259,3.396602558,-14.49217091,-16.95066419,-3.105465196,18.63279117,0,0,3.948717949,-2.318211703,1.12886259,-0.08086785,-0.917159763,-1.704142012,1.917159763,0,0,0.001359864,-3.50E-04,7.93E-05,-1.51E-04,-1.91E-04,-9.83E-05,5.37E-04,0,0,25.78920902,-2.321028812,1.567052631,-5.094164744,-4.634274872,-0.95515589,11.46187067,0,0,47.95613541,-4.316052187,2.914001283,-9.472816871,-8.617632014,-1.776153163,21.31383796,0,0,0.005051929,-4.55E-04,3.07E-04,-9.98E-04,-9.08E-04,-1.87E-04,0.002245302,0,0,0.214386238,-0.019294761,0.013026942,-0.042347899,-0.038524825,-0.007940231,0.095282773,0,0,1.164549448,-0.10480945,0.070762553,-0.230034459,-0.209267459,-0.043131461,0.517577533,0,0,0.151873767,-0.092728468,0.023517971,-0.001283617,-0.01132296,-0.023668639,0.053254438,0,0,-0.257684617,0.058280223,-0.111041158,-0.140212289,-0.072304702,0.394538657,0,0,-0.09,0.060763889,-0.197530864,-0.179698217,-0.037037037,0.444444444,0,0,-0.09,0.060763889,-0.197530864,-0.179698217,-0.037037037,0.444444444,0,0,-0.09,0.060763889,-0.197530864,-0.179698217,-0.037037037,0.444444444,0,0,-0.09,0.060763889,-0.197530864,-0.179698217,-0.037037037,0.444444444,0,0,-0.09,0.060763889,-0.197530864,-0.179698217,-0.037037037,0.444444444,0,0,-0.610562771,0.154852092,-0.008451866,-0.074555075,-0.155844156,0.350649351,0,0,1.79331324,0.958682833,1.257129627,1.145383691,0.863543717,0,0,0,1.625,1.128472222,1.36133157,1.114540466,0.752314815,0,0,0,1.625,1.128472222,1.36133157,1.114540466,0.752314815,0,0,0,1.625,1.128472222,1.36133157,1.114540466,0.752314815,0,0,0,1.625,1.128472222,1.36133157,1.114540466,0.752314815,0,0,0,1.625,1.128472222,1.36133157,1.114540466,0.752314815,0,0,0,2.222943723,0.64484127,1.105442177,1.14638448,1.055194805,0,0,0,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,47.4718515,23.57967575,35.53737955,47.2374765,5.904684562,23.57967575,-0.3125,3.33E-16,4.16E-17,-28.51055062,3000010.151,375001.2689,11.93130098,0,11.89,12.11011416,-0.163300419,0.057616875,6.064293842,8.899505149,7,25,25,25,7,0,0,0,0,0,19.677726,3.591951482,3.112599877,2.66223033,2.333552793,2.333552793,1.72757817,1.162837791,0.754694535,1.955119619,1.667247237,1.416069281,1.249629723,1.249629723,0.766521467,0.440344289,0.263051868,3.615591378,3.150713835,2.717732252,2.405454588,2.405454588,1.811000298,1.269690916,0.891155794,1.900329579,1.58857667,1.316029648,1.134540686,1.134540686,0.639289243,0.290000277,0.096175644,3.720996265,3.318028628,2.955102187,2.704236987,2.704236987,2.155018735,1.702702127,1.421438811,1.742324782,1.351217995,1.000891147,0.76031856,0.76031856,0.218931367,0.218324093,0.485265005,3.633084654,3.178805544,2.758321103,2.457539916,2.457539916,1.871324488,1.346550641,0.987848484,1.865714252,1.537907807,1.250496515,1.058262671,1.058262671,0.55445731,0.188893887,0.01719833,3.77319421,3.398793114,3.065768217,2.838982085,2.838982085,2.308177628,1.891182114,1.642628118,1.694062871,1.275766962,0.896165167,0.631337262,0.631337262,0.071596323,0.40108138,0.702635479,3.585679854,3.228626935,2.873197549,2.612600818,2.612600818,1.920880507,1.392442227,1.076301453,1.901729854,1.471882946,1.122645664,0.898315104,0.898315104,0.472596472,0.101567168,0.136150722,0,0,0,0,0,5,0,3,0,0,0,0,0,0,0,0,0,0,0,0.859116756,0,0.384900179,0,0.859116756,0,0.384900179,0,1.821367205,1.539600718,0.962250449,1.821367205,1.539600718,0.962250449,6.732050808,3.553418013,3.347150628,2.103133692,0.769800359,0,0,0,0.841506351,0.507631145,0.371905625,0.262891712,0.19245009,0,0,0,6.732050808,3.553418013,3.347150628,2.103133692,0.769800359,0,0,0,0.841506351,0.507631145,0.371905625,0.262891712,0.19245009,0,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,2.9345,38.84,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,43,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,11.44444444,0,0,0,0,0,2.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.282407407,0,0,0,0,0,0.842592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.314814815,0,0,0,0,0,0.87037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,1.75,0.2,2.314814815,0.2,0.842592593,6.030111111,0.490740741,0.314814815,2.888888889,0.490740741,0.314814815,2.888888889,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.625,0.375,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.55523,1.1944,9.55523,0,0,3.5534,0.44417,3.5534,0,0,0.3606,0.04508,0.3606,0.04508,0,7,0,0,0,0,0,0,1,0.89049164,1.184163641,1.740136375,1.77301149,1.902043713,1.574415253,23.15278265,30.78825467,45.24354576,46.09829873,49.45313654,40.93479657,0.189448582,0.251926141,0.370207147,0.377201197,0.404652294,0.334950632,3.809948078,3.516276077,2.960303343,2.927428228,2.798396005,3.126024465,0.191756937,0.254995761,0.374717972,0.381797243,0.40958282,0.339031871,6.648700044,10.17276405,11.8977875,11.12758867,11.59979807,6.153459083,31.72521615,26.80381852,26.16837625,27.36150411,22.46306766,17.79661485,8,3.111111111,2.8125,8,0,5,2.34,1.2358,3.221970075,0,8.480997324,0,0,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.139,0.124,0.01,-0.005,3.082,9,8,4,0,0,0,0,0,0,36,2.079441542,2.302585093,2.197224577,1.609437912,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,7,1,0,2,4,1,2.5,1.333333333,0.5,0,0,0,0,0,0,0,0.357142857,0.148148148,0.0625,0,0,0,0,0,0,0,0.567791005,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,0,146.9243357,4,3.496507561,4.204692619,4.976733742,5.713732806,6.487684018,7.229113878,8.004031508,8.746239288,9.521421538,73.38015696,2.708050201,0,3.931825633,0,5.332718793,0,6.801283034,0,8.297792626,8.554681636,114.1408506,4.390032714,14.33508904,1.79188613,0,0,0,65,8,4.709,32,1.2278,2.116269588,2.915232297,3.514234478,4.183463302,4.602106348,0,0,0,0,71.2221278,80.91086417,83.76920885,52.57707077,20.23817261,4.676034585,0,0,0,0,272.5498825,338.9957227,405.2777769,342.3104382,250.6217732,143.0506976,0,0,0,0,8.919363223,15.03189788,20.63719263,24.51392231,28.68184089,30.91908583,0,0,0,0,2.081648384,2.755510686,3.472185601,3.268709371,2.824274031,2.046155872,0,0,0,0,176.77647,329.9425416,458.4896421,579.3239784,727.7641558,851.0107003,0,0,0,0,2.542551111,3.495429444,5.046591668,5.593293361,5.624944824,4.602106348,0,0,0,0,0.4321989,0.579653059,0.736653075,0.706441499,0.6267345,0.47125569,0,0,0,0,374.0838362,163.4194675,8.966252161,105.4473283,-46.06493138,-6.117182888,268.6365079,209.4843989,15.08343505,0.780103284,0.340790087,0.018697955,0.219896716,-0.096062435,-0.012756591,179.3848576,78.36472757,4.299597341,50.56528016,-22.08957019,-2.933379834,0.06890302,0.142648544,1.012119214,6.814392482,479.5311646,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,795.6535896,28.2073322,9.266335254,1.229211372,1.011517918,455.1651294,307.5635354,187.0005608,1.479906026,2.434030826,1.644719856,4.043186758,3.22022378,6.424248771,0.99496967,5.020218391,6.682925857,3.075208294,30.0765073,6.811684238,3.739997043,10.36730004,22.56842953,7.993492681,6.855421146,1.605937463,1.126710556,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421311494,6.642958761,0.181761173,10.80093783,2.032005543,0.169641049,0.845166273,1.149881212,1.08390685,0.085428216,0.011311817,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.360045288,6.651073579,0.63703648,13.43827702,2.371957712,0.64255922,2.347647934,4.12185993,1.708023462,0.59858162,0.117869469,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.7386762,6.680463775,2.850195102,28.43755888,6.294192446,3.430904925,9.628283833,20.76192645,7.292333973,6.133633302,1.430862103,1.00387882,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.004456949,6.656657009,0.989753637,15.63389782,2.794071409,1.043175107,3.510052593,6.577720205,2.369921916,1.208794159,0.256025607,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.062642864,6.692059238,3.962693228,36.66585554,8.983061505,4.987201836,13.28075925,29.8194448,10.90539623,9.876831019,2.342105377,1.643201455,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.09636808,5.258962225,1.301760281,18.62681102,3.769539692,1.823588774,5.347271606,10.64121537,3.94758552,2.396269649,0.524392281,0.367905488,2.62E-15,3.60E-51,9.54E-109,4.88E-188,4.81E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.201630821,2.138835353,0.5775025,0.541001651,0.361413767,0.489947275,0.527787822,0.486640039,5.917968674,9.931893753,19.80446163,0.353623127,1.504375135,2.521880782,1.465779915,0.173071123,0.606114715,0.352288967,0.303987654,0.247746037,0.043959465,4.16073182,4.386671113,9.187164181,0.437605523,0.595693156,2.802046377,1.743168211,0.339779506,0.573602818,0.356841416,0.37528178,0.350468208,0.169000674,4.884994094,6.428808937,12.97343502,0.395666351,0.894750661,3.185793906,2.123152879,0.568081529,0.542075644,0.361263,0.485112199,0.520070339,0.470947896,5.877028313,9.779842108,19.4993327,0.355007965,1.476130434,2.922486837,1.862423109,0.411437443,0.562411752,0.358410046,0.408236629,0.400100005,0.247548071,5.19634739,7.411598135,14.84736127,0.381232697,1.055884705,3.250907452,2.187631819,0.606815509,0.537752964,0.361869882,0.505144994,0.552165008,0.537100221,6.04535478,10.41197856,20.77287695,0.349434269,1.594410223,3.193883018,2.130491979,0.568233896,0.542015103,0.361553264,0.487578843,0.523681574,0.471113904,5.892608893,9.830032499,19.58921289,0.355352551,1.482374321 +UMLS0111,L,"2,3,4-Trimethylpentane",CC(C)C(C)C(C)C,11269,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C8H18,PubChem,,4.3,0,2.5755,6.63320025,38.6525,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1531.545633,1547.636168,1058.463172,333.2448,36.578304,0,0,3885.475125,4800.404174,6343.167377,7246.209404,6706.817662,4059.196059,1119.0148,0,0,167.819552,166.665724,296.75898,328.399136,441.719824,452.998656,241.864704,0,0,29.42500648,37.33900896,51.81309115,60.61229535,62.80715478,45.39880544,16.00606457,0,0,3973.037281,3337.521256,6671.119844,7023.782288,10209.10493,11441.48253,6657.035473,0,0,43.33333333,51.66666667,73.22222222,90.66666667,107,90,36,0,0,48.76541633,52.3287937,36.46537221,33.64426452,16.80100273,5.049163636,1.016064,0,0,161.8947969,208.713225,151.0277947,157.5262914,106.4574232,61.50297059,31.08374443,0,0,6.992481333,7.246335826,7.06569,7.139111652,7.011425778,6.863616,6.718464,0,0,1.226041937,1.623435172,1.233645027,1.317658595,0.996938965,0.687860689,0.444612905,0,0,165.54322,145.1096198,158.8361868,152.6909193,162.0492846,173.3557959,184.917652,0,0,1.805555556,2.246376812,1.743386243,1.971014493,1.698412698,1.363636364,1,0,0,0.035512751,1.14E-04,0.008014436,-0.024868276,-0.023270707,-9.91E-04,0.023245231,0,0,645.6853813,-53.80711511,201.7766817,-349.7462482,-524.6193723,-80.71067267,484.264036,0,0,1200.679538,-100.0566282,375.2123557,-650.3680833,-975.5521249,-150.0849423,900.5096538,0,0,0.126485333,-0.010540444,0.039526667,-0.068512889,-0.102769333,-0.015810667,0.094864,0,0,5.367596186,-0.447299682,1.677373808,-2.907447934,-4.361171901,-0.670949523,4.025697139,0,0,29.15686767,-2.429738973,9.111521147,-15.79330332,-23.68995498,-3.644608459,21.86765075,0,0,4.148148148,-1.929012346,2.092592593,-1.191358025,-2.25,-1.574074074,2.777777778,0,0,0.001479698,4.95E-06,1.91E-04,-5.41E-04,-3.69E-04,-1.50E-05,6.46E-04,0,0,26.90355756,-2.339439787,4.804206706,-7.603179309,-8.327291624,-1.22288898,13.45177878,0,0,50.0283141,-4.350288182,8.933627517,-14.13843659,-15.48495436,-2.274014277,25.01415705,0,0,0.005270222,-4.58E-04,9.41E-04,-0.001489411,-0.001631259,-2.40E-04,0.002635111,0,0,0.223649841,-0.019447812,0.039937472,-0.06320539,-0.069224951,-0.010165902,0.111824921,0,0,1.214869486,-0.105640825,0.21694098,-0.343332681,-0.376031031,-0.05522134,0.607434743,0,0,0.172839506,-0.083870102,0.049823633,-0.025899087,-0.035714286,-0.023849607,0.077160494,0,0,0.00334634,0.128958679,-0.365354752,-0.249629527,-0.010146883,0.436373409,0,0,-0.086956522,0.178571429,-0.282608696,-0.30952381,-0.045454545,0.5,0,0,-0.086956522,0.178571429,-0.282608696,-0.30952381,-0.045454545,0.5,0,0,-0.086956522,0.178571429,-0.282608696,-0.30952381,-0.045454545,0.5,0,0,-0.086956522,0.178571429,-0.282608696,-0.30952381,-0.045454545,0.5,0,0,-0.086956522,0.178571429,-0.282608696,-0.30952381,-0.045454545,0.5,0,0,-0.485248447,0.288265306,-0.14984472,-0.206632653,-0.137987013,0.446428571,0,0,1.367281663,1.100673576,1.726577575,1.141776942,0.708976255,0.004924526,0,0,1.5,0.924107143,1.5,1.300595238,0.784090909,0,0,0,1.5,0.924107143,1.5,1.300595238,0.784090909,0,0,0,1.5,0.924107143,1.5,1.300595238,0.784090909,0,0,0,1.5,0.924107143,1.5,1.300595238,0.784090909,0,0,0,1.5,0.924107143,1.5,1.300595238,0.784090909,0,0,0,1.982142857,0.542729592,1.299107143,1.290816327,1.008116883,0,0,0,29.9519137,14.97595685,21.1419228,29.9519137,3.743989212,14.97595777,-1.07E-14,0.093201439,0.01165018,-1.898393698,29.24729855,3.655912318,2.70062977,29.9519137,14.97595685,21.1419228,29.9519137,3.743989212,14.97595777,-1.07E-14,0.093201439,0.01165018,-1.898393698,29.24729855,3.655912318,2.70062977,29.9519137,14.97595685,21.1419228,29.9519137,3.743989212,14.97595777,-1.07E-14,0.093201439,0.01165018,-1.898393698,29.24729855,3.655912318,2.70062977,29.9519137,14.97595685,21.1419228,29.9519137,3.743989212,14.97595777,-1.07E-14,0.093201439,0.01165018,-1.898393698,29.24729855,3.655912318,2.70062977,29.9519137,14.97595685,21.1419228,29.9519137,3.743989212,14.97595777,-1.07E-14,0.093201439,0.01165018,-1.898393698,29.24729855,3.655912318,2.70062977,29.9519137,14.97595685,21.1419228,29.9519137,3.743989212,14.97595777,-1.07E-14,0.093201439,0.01165018,-1.898393698,29.24729855,3.655912318,2.70062977,36.86849545,18.35508106,26.85532019,36.74974545,4.593718182,18.35508109,-0.158333333,0.185443518,0.02318044,-1.348003945,24.71757382,3.089696728,2.566011585,0,11.89,12.11011416,-0.17134312,0.05119783,6.1625,8.955005645,7,23,22,22,6,1,1,0,0,1,17.491312,3.647315261,3.076082947,2.598503701,2.333552793,2.333552793,1.665348817,1.032963379,0.083923071,1.932787121,1.628756031,1.375964296,1.249629723,1.249629723,0.607548492,0.139465883,0.083923071,3.663785966,3.113498505,2.655823718,2.405454588,2.405454588,1.73956501,1.132120857,0.270913902,1.885422716,1.549587777,1.273175685,1.134540686,1.134540686,0.487361073,0.025591198,0.270913902,3.740825106,3.278955332,2.901102362,2.704236987,2.704236987,2.04622848,1.528057366,0.943918427,1.75713853,1.31197897,0.948392105,0.76031856,0.76031856,0.10350369,0.401518355,0.943918427,3.676162167,3.141145858,2.697759789,2.457539916,2.457539916,1.79324141,1.203223593,0.399277246,1.856231902,1.498689345,1.205754265,1.058262671,1.058262671,0.408472013,0.05472369,0.399277246,3.781180752,3.359415287,3.015361049,2.838982085,2.838982085,2.183801392,1.694727824,1.207644823,1.720574067,1.236994104,0.840211351,0.631337262,0.631337262,0.02832406,0.565548448,1.207644823,3.644982069,3.171136371,2.793847321,2.571572866,2.571572866,1.831363779,1.226325614,0.545454545,1.87413922,1.443701663,1.095476817,0.935209229,0.935209229,0.359238118,0.104900665,0.545454545,0,0,0,0,2,5,0,1,0,0,0,0,0,0,0,0,0,0,0,0.859116756,0,0.384900179,0,0.683012702,0,0.288675135,0,1.821367205,1.539600718,0.962250449,1.404700538,1.154700538,0.721687836,6.732050808,3.553418013,3.347150628,2.103133692,0.769800359,0,0,0,0.841506351,0.507631145,0.371905625,0.262891712,0.19245009,0,0,0,6.577350269,3.193375673,2.83771324,1.654700538,0.577350269,0,0,0,0.822168784,0.456196525,0.315301471,0.206837567,0.144337567,0,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,1.12E-17,1.40E-18,-31.22250001,3000010.529,375001.3161,11.93130108,43,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,4,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,1,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.976851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.777083333,1.161111111,0,0,0,0,0,0,0,0,0,0,10.96759259,0,0,0,0,0,0.722222222,0,0,2.976851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.458333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.243402778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.162037037,0,0,0,0,0,0.722222222,0,0,1.458333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.518518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290277778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.224537037,0,0,0,0,0,0.722222222,0,0,1.518518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66666667,1.833333333,0.290277778,2.224537037,0.013888889,0.722222222,4.625208333,0.611111111,0.224537037,1.935185185,0.611111111,0.224537037,1.935185185,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.625,0.375,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,8.50671,1.06334,9.55523,1.04852,0.13107,2.95453,0.36932,3.5534,0.59886,0.07486,0.3606,0.04508,0.3606,0.04508,0,7,0,0,0,0,0,0,0.75,0.918295834,1.553508855,2.468546354,2.468546354,2.56408294,1.996867188,22.03910002,37.28421252,59.2451125,59.2451125,61.53799056,47.9248125,0.200284263,0.338826949,0.538400555,0.538400555,0.559237494,0.435525304,3.666666667,3.031453646,2.116416147,2.116416147,2.020879561,2.588095313,0.200284263,0.338826949,0.538400555,0.538400555,0.559237494,0.435525304,6.73287657,14.35543282,16.1936451,16.1936451,15.45174157,6.74821942,31.59900002,21.30576563,21.74047604,21.74047604,18.36292902,17.65589011,8,3.111111111,2.8125,8,2,5,2.34,1.1928,3.221970075,0,8.480997324,0,0,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.117,0.084,0.14,0.177,3.432,9,8,4,0,0,0,0,0,0,36,2.197224577,2.63905733,2.708050201,2.197224577,0,0,0,0,0,0,3.951243719,1.416666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,6,0.857142857,0,2,4,1,2.5,1.333333333,0.5,0,0,0,0,0,0,0,0.357142857,0.148148148,0.0625,0,0,0,0,0,0,0,0.567791005,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,1.12E-17,1.40E-18,-31.22250001,3000010.529,375001.3161,11.93130108,0,144.287877,4,3.496507561,4.204692619,4.976733742,5.713732806,6.487684018,7.229113878,8.004031508,8.746239288,9.521421538,73.38015696,2.708050201,0,3.931825633,0,5.332718793,0,6.801283034,0,8.297792626,8.554681636,112.1252005,4.671883355,14.33508904,1.79188613,0,0,0,65,8,3.402,32,1.218887483,2.104074828,3.05505261,3.741536333,4.425470617,4.886048203,0,0,0,0,75.26261604,90.39738753,113.3389135,68.45571894,22.91632927,4.964537682,0,0,0,0,281.2198653,356.7759398,508.7799528,419.6517017,276.4893429,151.8766736,0,0,0,0,8.869201485,14.95495046,21.86220981,26.3034747,30.39529587,32.82673896,0,0,0,0,2.124313109,2.833588667,4.185569694,3.876644599,3.078570274,2.172400085,0,0,0,0,174.5853241,327.8624863,462.905665,600.9628904,765.5429133,903.5165614,0,0,0,0,2.820267705,3.892386618,6.175260568,6.535255246,6.086252154,4.886048203,0,0,0,0,0.440183131,0.593860529,0.880978438,0.832446531,0.681691731,0.500331336,0,0,0,0,317.584125,134.0856781,8.374240916,49.40583144,-20.85940037,-2.710400774,268.1782935,154.9450785,11.08464169,0.865375522,0.36536607,0.02281872,0.134624478,-0.056839159,-0.00738549,116.5501842,49.20809717,3.073262309,18.13144393,-7.65519043,-0.994689862,0.080587248,0.181132674,1.715010293,0.95129518,366.9899564,0,1,0,447.8132937,21.16159951,7.650661618,608.2378051,24.66247768,8.472751521,784.3677304,28.00656584,9.222314023,1.075203359,1.028380871,474.1501636,329.0889956,194.7979056,1.440796168,2.434061918,1.689386724,4.1821911,3.559932036,6.663912686,0.871921323,6.618353133,5.661225477,3.150197409,15.04192697,11.29687732,9.714754684,10.71502962,12.32977496,13.44622725,4.280124855,3.810036139,0.087700666,1.24E-05,4.38E-31,2.97E-78,3.89E-147,9.82E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555434827,5.63202176,0.122184021,6.236222877,3.02022454,0.665746808,3.278051271,1.034254248,0.674378332,0.034938186,0.051495891,6.18E-04,8.75E-08,3.08E-33,2.09E-80,2.74E-149,6.92E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,1.79300571,5.633973354,0.488118093,7.101211714,4.052094874,2.072541686,4.66307811,2.611332751,1.955115631,0.326450879,0.342995245,0.006436733,9.12E-07,3.21E-32,2.18E-79,2.85E-148,7.21E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,6.247185619,5.658019215,2.875622984,14.17298059,10.55755975,9.005017158,10.21268542,11.38052448,12.19515365,3.816814396,3.411654507,0.078139714,1.11E-05,3.90E-31,2.65E-78,3.47E-147,8.75E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,2.642559324,5.636503568,0.814188327,7.971861091,4.955687936,3.168996615,5.653351707,3.910277618,3.22809846,0.697300667,0.684345247,0.013981444,1.98E-06,6.97E-32,4.74E-79,6.20E-148,1.57E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,7.992619374,5.674707341,4.268104653,18.63378403,14.29836781,12.51945132,12.62841458,16.13707433,18.61111987,6.226526683,5.476140682,0.127903179,1.81E-05,6.38E-31,4.33E-78,5.67E-147,1.43E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,3.864505121,4.93544318,1.203042011,9.278472246,6.385170814,4.58909189,6.867618626,5.853618265,5.297580181,1.29197386,1.229002885,0.02609276,3.70E-06,1.30E-31,8.84E-79,1.16E-147,2.92E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,3.662359126,2.404396402,0.580375597,0.550968389,0.361719418,0.557967463,0.548889473,0.401463791,6.647131125,12.32675997,24.08454111,0.36903171,1.508320727,2.713775635,1.515960257,0.223169041,0.609439383,0.340442987,0.306842094,0.218286064,0.059384764,4.452904933,5.057922112,10.42893913,0.424823555,0.584512923,3.090437782,1.868879232,0.36506334,0.580431445,0.351004081,0.397642677,0.331713436,0.158895546,5.324380355,7.586119824,15.01898008,0.397153289,0.888251658,3.638866789,2.38240721,0.571534268,0.551944883,0.361364553,0.550848473,0.538903569,0.389332007,6.592808267,12.1106269,23.65821575,0.369964154,1.47908405,3.258368863,2.026163337,0.42830062,0.570359569,0.354668761,0.441909718,0.38986826,0.218694856,5.712832819,8.865355944,17.40582411,0.387542494,1.050472834,3.735909775,2.473236828,0.608054889,0.548012228,0.362793564,0.580551486,0.580742885,0.440645922,6.817201491,13.01529158,25.45079233,0.366208688,1.601940293,3.643122946,2.386794811,0.571533991,0.551866936,0.361556049,0.552115605,0.540891102,0.389313578,6.601451748,12.1416899,23.71285085,0.370134477,1.482320284 +UMLS0112,L,"2,3,4-trimethyl-2-pentene",CC(C)C(=C(C)C)C,11270,,UML,[1],C8H16,PubChem,,15.7,0,1.2048,1.45154304,35.5192,22.457102,0,0,22,8,14,0,7,0,1,0,0,0,0,0,0,0,1280.041744,1227.247947,1624.297177,1704.94348,983.599012,302.76288,36.578304,0,0,3616.181511,4450.143542,6008.341344,6425.169835,5104.608181,3126.683726,1119.0148,0,0,160.193824,154.923828,281.590324,354.919936,385.349008,251.444736,241.864704,0,0,26.39008467,33.66236034,47.58013244,51.87000289,43.83716998,32.0604183,16.00606457,0,0,3661.858907,3057.825133,6169.464833,7691.117356,8692.784897,5893.952969,6657.035473,0,0,85.33333333,53.44444444,81.11111111,139.3333333,143,60,36,0,0,58.18371564,58.44037843,41.64864556,35.51965583,19.28625514,8.41008,1.016064,0,0,164.3718869,211.9115972,154.0600345,133.8577049,100.0903565,86.85232572,31.08374443,0,0,7.281537455,7.377325143,7.220264718,7.394165333,7.555862902,6.984576,6.718464,0,0,1.199549303,1.60296954,1.220003396,1.08062506,0.859552353,0.890567175,0.444612905,0,0,166.4481321,145.6107206,158.191406,160.2316116,170.4467627,163.7209158,184.917652,0,0,3.878787879,2.544973545,2.07977208,2.902777778,2.803921569,1.666666667,1,0,0,0.130461031,-0.055451428,-0.019467619,0.07642928,-0.065913561,-0.021087707,0.02026052,0,0,687.3645011,-46.5210804,169.5222392,-141.2197929,-480.4544085,-474.7271691,629.7179611,0,0,1066.90404,-96.33311012,158.1418275,-501.8169853,-163.6442419,-899.238788,969.4392777,0,0,1.085692364,-0.003217983,0.146198083,0.014169388,-1.021738479,-0.018888595,0.340631405,0,0,4.734521863,-0.459492824,0.259166785,-3.017685834,1.062849206,-4.022745825,3.81064756,0,0,26.12162368,-2.544279046,0.668217023,-17.74619716,8.504461302,-21.82016781,19.87715385,0,0,34.82828283,-2.386593205,1.955922865,4.071625344,-27.79889807,-2.809917355,9.553719008,0,0,0.005930047,-0.002640544,-4.99E-04,0.001592277,-0.001292423,-5.86E-04,5.63E-04,0,0,31.24384096,-2.215289543,4.346724083,-2.942079019,-9.420674677,-13.18686581,17.49216559,0,0,48.49563818,-4.587290958,4.054918654,-10.45452053,-3.208710625,-24.97885522,26.92886883,0,0,0.049349653,-1.53E-04,0.003748669,2.95E-04,-0.020034088,-5.25E-04,0.009461983,0,0,0.215205539,-0.021880611,0.006645302,-0.062868455,0.020840181,-0.11174294,0.105851321,0,0,1.187346531,-0.121156145,0.01713377,-0.369712441,0.166754143,-0.606115772,0.552143162,0,0,1.583103765,-0.113647295,0.050151868,0.084825528,-0.545076433,-0.07805326,0.265381084,0,0,-0.445282179,-0.084176352,0.268509963,-0.217944782,-0.098779934,0.094905188,0,0,-0.07090324,0.13912259,-0.094165088,-0.301521016,-0.42206289,0.559859641,0,0,-0.094591826,0.08361409,-0.215576512,-0.066164932,-0.515074266,0.555284348,0,0,-0.003105134,0.075961401,0.005981716,-0.405962082,-0.010631953,0.191733536,0,0,-0.101673083,0.030878862,-0.292132141,0.096838495,-0.519238213,0.491861508,0,0,-0.102039415,0.014430303,-0.311377034,0.140442692,-0.510479255,0.465022761,0,0,-0.071787648,0.031679457,0.053581787,-0.344308721,-0.049303944,0.167633411,0,0,1.217126887,0.824455996,1.199972138,2.025006384,0.344793426,0,0,0,1.244484016,0.866015446,1.165027378,1.387940706,1.232915086,0,0,0,1.493214171,1.039972973,1.262590524,0.888327318,1.477069947,0,0,0,0.532603912,0.514762337,1.243190562,2.638465101,0.152908877,0,0,0,1.567567372,1.115841666,1.349931886,0.709774873,1.488000309,0,0,0,1.571413854,1.128827211,1.376535642,0.68945191,1.465008044,0,0,0,0.612529002,0.547987685,1.201729263,2.585232701,0.200986079,0,0,0,31.34957175,15.79978587,23.26388749,31.53707175,3.942133968,15.79978632,0.25,1.11E-16,1.39E-17,-29.38944046,3000010.529,375001.3161,11.93130108,31.35128536,15.80027547,23.26437709,31.53823455,3.942279319,15.80027591,0.249265579,7.77E-16,9.71E-17,-27.83271234,3000010.529,375001.3161,11.93130108,32.88990299,16.24545425,23.70955587,32.59065713,4.073832141,16.24545451,-0.398994478,2.78E-16,3.47E-17,-28.65640787,3000010.529,375001.3161,11.93130108,31.35308389,15.80078935,23.26489096,31.53945499,3.942431874,15.80078979,0.2484948,8.88E-16,1.11E-16,-27.72588722,3000010.529,375001.3161,11.93130108,34.55936291,16.73853432,24.20263594,33.74764222,4.218455277,16.73853447,-1.082294264,4.44E-16,5.55E-17,-28.28040497,3000010.529,375001.3161,11.93130108,31.52931186,15.85122303,23.31532464,31.6591625,3.957395313,15.85122344,0.173134186,3.89E-16,4.86E-17,-28.38723008,3000010.529,375001.3161,11.93130108,39.41744517,19.73758755,29.78619567,39.67969007,4.959961258,19.73758756,0.524489796,1.11E-16,1.39E-17,-29.38944046,3000010.257,375001.2821,11.93130101,0,11.89,15.99491639,-0.298617594,0.13774251,4.743995418,7.809320895,7,21,20,20,6,1,1,0,0,1,16.262898,3.629454125,3.112599877,2.533732576,2.333552793,2.333552793,1.201591136,1.162837791,0.083923071,1.888463753,1.667247237,1.249629723,1.249629723,0.871952222,0.440344289,0.104486748,0.083923071,3.594744638,3.150713835,2.405454588,2.405454588,2.391189928,1.269690916,1.146155809,0.270913902,1.860582124,1.58857667,1.134540686,1.134540686,0.903043083,0.290000277,0.111838259,0.270913902,3.718807297,3.318028628,2.704236987,2.704236987,2.695862218,1.702702127,1.631650732,0.943918427,1.694972139,1.351217995,0.76031856,0.76031856,0.5649586,0.218324093,0.432110128,0.943918427,3.595503091,3.178805544,2.457539916,2.457539916,2.365706617,1.346550641,1.160732497,0.399277246,1.845727081,1.537907807,1.058262671,1.058262671,0.922689895,0.188893887,0.074731216,0.399277246,3.749922829,3.398793114,2.838982085,2.838982085,2.72763446,1.891182114,1.765166809,1.207644823,1.66093799,1.275766962,0.631337262,0.631337262,0.520658754,0.40108138,0.563548365,1.207644823,4.7120482,3.311317527,3.222481501,2.606496142,2.606496142,1.726993577,1.388011031,0.567567568,1.769119892,1.477602749,0.903793439,0.903793439,0.512295614,0.105862756,0.477002149,0.567567568,0,0,0,1,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0.859116756,0,0.384900179,0,0.645391651,0,0.136082763,0,1.821367205,1.539600718,0.962250449,0.841201121,0.938832194,0.438832194,6.732050808,3.553418013,3.347150628,2.103133692,0.769800359,0,0,0,0.841506351,0.507631145,0.371905625,0.262891712,0.19245009,0,0,0,6.062948829,3.090875491,2.711770004,1.138071187,0.666666667,0,0,0,0.757868604,0.441553642,0.301307778,0.142258898,0.166666667,0,0,0,11.50759373,21.54552076,20.42745098,20.72,13.07012096,169.3523066,0.523072442,0.979341853,0.928520499,0.941818182,0.594096407,7.697832118,1.8675,34.683,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,43,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,2,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,2,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84259259,0.351851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.026388889,0.802777778,0,0,0,0,0,0,0,0,0,0,7.731481481,0,0,0,0,0,0.407407407,0,0,0.351851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84259259,0.351851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305902778,0.401388889,0,0,0,0,0,0,0,0,0,0,1.93287037,0,0,0,0,0,0.203703704,0,0,0.351851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84259259,0.351851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,1.93287037,0,0,0,0,0,0.203703704,0,0,0.351851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.33333333,2.416666667,0.409722222,10.84259259,0.263888889,0.203703704,3.463537037,1.314814815,3.842592593,7.685185185,1.314814815,3.842592593,7.685185185,3.83333,0.47917,0,0.02083,0.4803,0.79583,0.42308,0.4803,0.79583,0.05723,0,-0.05723,0,0.60209,0.1122,0,0.6087,0.3913,0,5.25,0.65625,3.75,0.46875,1.5,0.1875,-2.25,-0.28125,0,0,7.36964,0.9212,9.55523,2.1856,0.2732,2.91328,0.36416,3.5534,0.64012,0.08002,0.3606,0.04508,0.3606,0.04508,0,7.01,1,1,1,1,0,0,0.857142857,1.143320102,1.582023941,1.958542982,1.958542982,1.755841545,1.238646324,25.15304225,34.8045267,43.0879456,43.0879456,38.62851398,27.25021913,0.256382472,0.354759099,0.439191168,0.439191168,0.393736623,0.277758789,3.316111517,2.877407678,2.500888637,2.500888637,2.703590074,3.220785295,0.256382472,0.354759099,0.439191168,0.439191168,0.393736623,0.277758789,9.968326343,15.23277241,15.61223772,15.61223772,13.17982048,6.163702894,29.50877429,23.15322134,23.6965962,23.6965962,22.48038757,17.08485067,8,3.111111111,2.8125,8,1,5,2.12,1.1106,1.889881575,0,6.603854498,0,0,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.455,0.443,0.52,0.149,3.431,9,8,4,0,0,0,0,0,0,36,2.197224577,2.48490665,2.564949357,1.609437912,0,0,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,2,4,1,2.5,1.333333333,0.5,0,0,0,0,0,0,0,0.357142857,0.148148148,0.0625,0,0,0,0,0,0,0,0.567791005,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,17.07,135.7821191,4,3.496507561,4.204692619,4.976733742,5.713732806,6.487684018,7.229113878,8.004031508,8.746239288,9.521421538,73.38015696,2.708050201,0,3.931825633,0,5.332718793,0,6.801283034,0,8.297792626,8.554681636,114.1044651,5.186566594,14.33508904,1.79188613,2.406694893,2.406694893,0,65,8,1.277,32,1.233333333,2.12644595,2.930455297,3.55850591,4.383318477,5.013506067,0,0,0,0,82.62061363,100.5235755,111.999976,77.38703648,39.08713088,5.094043029,0,0,0,0,286.274389,357.837331,412.1731765,382.7406147,397.4686875,155.8385413,0,0,0,0,9.129617831,15.45518486,21.75163435,26.84860625,30.6956298,33.68306003,0,0,0,0,2.113145198,2.767802116,3.279022434,3.235517791,4.037719378,2.229069496,0,0,0,0,177.4424221,331.7580809,466.6291139,601.2046047,711.2679421,927.0857704,0,0,0,0,3.177396825,4.684925862,8.733800724,9.931679622,7.505969621,5.013506067,0,0,0,0,0.449709286,0.606318464,0.759887264,0.763780758,0.878528609,0.513383021,0,0,0,0,355.5454616,185.5738217,8.658912586,120.8340883,-63.06828797,-16.39126803,234.7113733,248.6421097,25.05018061,0.746349128,0.389550353,0.018176499,0.253650872,-0.132390838,-0.034408001,169.374587,88.40357366,4.12492888,57.5628886,-30.04444264,-7.808464884,0.263764664,0.572085324,0.447932322,22.727815,436.6515337,39.72801619,0.916604279,0.083395721,506.3771674,22.50282577,7.970606549,641.9956726,25.33763352,8.626686854,907.0552751,30.11735837,9.680057071,1.355712503,1.355712503,418.889264,347.1166623,165.1969481,1.206767953,2.535696142,2.101229268,3.986251514,3.222561645,6.375709831,0.978460161,3.917822784,5.778211376,6.366004739,11.46296751,7.128137677,8.633714945,6.747336255,9.202302243,3.60173904,5.376140809,1.086526992,0.399187458,1.78E-17,1.64E-55,3.07E-115,1.15E-196,8.51E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,0.345289482,5.778030905,0.36253308,7.478337454,1.881248453,1.921248578,0.535491702,1.287192243,0.399221762,0.219995297,0.007652502,0.00281151,1.26E-19,1.16E-57,2.16E-117,8.10E-199,6.00E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,1.067258616,5.777925597,1.009365533,7.890829442,2.300298651,2.254409259,1.270736656,2.50794518,0.802405018,0.862507306,0.079744943,0.029298101,1.31E-18,1.21E-56,2.26E-116,8.44E-198,6.25E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,3.70321596,5.778250059,6.430116189,11.44458557,6.881273871,8.903708181,6.369941263,8.588436718,3.317057976,4.915452455,0.968075991,0.355668838,1.59E-17,1.46E-55,2.74E-115,1.03E-196,7.58E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,1.565367409,5.777900666,1.463859685,8.311942489,2.704216558,2.6807737,1.885121254,3.460570264,1.1535619,1.42529941,0.173216664,0.06363939,2.85E-18,2.62E-56,4.90E-116,1.83E-197,1.36E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,4.731361413,5.778365617,8.880928319,12.57492418,9.511782608,11.40677953,9.116395247,11.67493531,4.7564122,7.246536301,1.584597493,0.582177391,2.60E-17,2.40E-55,4.48E-115,1.68E-196,1.24E-299,0,0,0,0,0,0,0,0,0,0,0,0,0,2.445479817,4.680018032,5.856886947,11.95720215,4.993846791,10.88927957,3.651610401,4.712659642,1.896079701,2.494973409,0.350006154,0.128591431,5.75E-18,5.29E-56,9.90E-116,3.71E-197,2.74E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,3.870060146,1.311878374,0.923395089,0.633881847,0.214874151,0.607336207,0.463866961,0.473706442,6.10533361,9.862024794,20.65547979,0.450822771,1.54490961,2.632773109,1.109764802,0.409340074,0.634116204,0.267292248,0.280836839,0.33194163,0.09314276,4.151877984,4.453729672,9.801600672,0.451174307,0.70592123,3.24126412,1.071532106,0.629525321,0.655818139,0.216807445,0.425803296,0.309467559,0.220273026,4.942321547,6.188132997,13.31687063,0.483727209,0.95554388,3.780893008,1.338834403,0.896212682,0.628479165,0.222547828,0.579661373,0.483124832,0.446236965,6.015940094,9.650354271,20.20291367,0.442718748,1.509023169,3.49821373,1.088487692,0.730340388,0.657924811,0.204716783,0.496064456,0.319339396,0.296442581,5.317041809,7.157615884,15.2556205,0.486887217,1.111846433,3.932370537,1.354724209,0.957022812,0.629772021,0.216960074,0.62708767,0.494661581,0.508797924,6.244117559,10.38714785,21.72959157,0.444658032,1.630547175,3.783274385,1.345865426,0.896571964,0.627855186,0.223353767,0.580424399,0.488212452,0.446562518,6.025711775,9.690421147,20.2812785,0.441782778,1.51519937 +UMLS0113,L,"2,4-dimethyl-3-pentanone",CC(C)C(=O)C(C)C,11271,[11] has RON of 99; opting for [11]/co-opt vals,"Sandia, UML","[9], [11]",C7H14O,PubChem,,6.5,0,-0.2066,0.04268356,34.6912,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1483.122152,1564.909256,1089.789796,460.407193,103.124448,9.144576,0,3947.642614,5029.877407,6806.459662,7774.63306,7153.877106,4470.825939,1620.932031,279.7536999,0,181.25648,180.900988,339.441056,442.613024,502.984336,493.333156,244.259712,60.466176,0,30.31423229,39.56609758,57.48793273,68.17071473,68.14653374,49.07290716,20.01965301,4.001516144,0,4342.872585,3643.766351,7584.388218,10167.38237,11809.77359,12556.45535,6466.264847,1664.258868,0,42.05555556,49.77777778,74.66666667,97.91666667,113,94,42,9,0,45.09238923,49.11105724,30.89837817,24.83982946,15.13596939,6.394544347,2.864568,1.016064,0,151.8324082,201.1950963,141.801243,123.406874,99.35940425,62.09480471,45.02588975,31.08374443,0,6.971403077,7.23603952,7.071688667,7.025603556,6.985893556,6.851849389,6.784992,6.718464,0,1.165932011,1.582643903,1.197665265,1.082074837,0.946479635,0.681568155,0.556101472,0.444612905,0,167.033561,145.7506541,158.0080879,161.3870218,164.0246332,174.3952133,179.618468,184.917652,0,1.617521368,1.991111111,1.555555556,1.554232804,1.569444444,1.305555556,1.166666667,1,0,0.036047443,-0.007598785,-0.004383136,0.001712488,-0.021532739,0.001156633,0.007892153,0.004729664,0,670.5194345,-58.02572029,-45.8474827,-97.42590073,-478.5331007,52.29478495,189.1208661,103.1568361,0,1246.859521,-107.9013047,-85.25535183,-181.1676226,-889.8527348,97.24438569,351.6783263,191.8245416,0,0.131350154,-0.01136684,-0.008981207,-0.019085065,-0.093741349,0.010244189,0.037047479,0.020207716,0,5.574042193,-0.482369036,-0.38113109,-0.809903567,-3.978055753,0.43472765,1.572165747,0.857544953,0,30.27828566,-2.620236259,-2.070310131,-4.399409027,-21.60886199,2.361447493,8.540029288,4.658197794,0,3.487179487,-1.641518738,-0.284023669,1.370808679,-1.861932939,-0.156804734,0.402366864,0.427514793,0,0.00138644,-3.04E-04,-9.13E-05,2.72E-05,-2.99E-04,1.61E-05,2.19E-04,5.26E-04,0,25.78920902,-2.321028812,-0.95515589,-1.546442869,-6.646293065,0.726316458,5.253357393,11.46187067,0,47.95613541,-4.316052187,-1.776153163,-2.87567655,-12.35906576,1.350616468,9.768842398,21.31383796,0,0.005051929,-4.55E-04,-1.87E-04,-3.03E-04,-0.001301963,1.42E-04,0.001029097,0.002245302,0,0.214386238,-0.019294761,-0.007940231,-0.012855612,-0.055250774,0.006037884,0.043671271,0.095282773,0,1.164549448,-0.10480945,-0.043131461,-0.069831889,-0.300123083,0.032797882,0.237223036,0.517577533,0,0.134122288,-0.06566075,-0.00591716,0.021758868,-0.02586018,-0.002177844,0.011176857,0.047501644,0,-0.219231549,-0.065863163,0.01960586,-0.215707704,0.01158676,0.158121848,0.379041424,0,-0.09,-0.037037037,-0.059964727,-0.257716049,0.02816358,0.203703704,0.444444444,0,-0.09,-0.037037037,-0.059964727,-0.257716049,0.02816358,0.203703704,0.444444444,0,-0.09,-0.037037037,-0.059964727,-0.257716049,0.02816358,0.203703704,0.444444444,0,-0.09,-0.037037037,-0.059964727,-0.257716049,0.02816358,0.203703704,0.444444444,0,-0.09,-0.037037037,-0.059964727,-0.257716049,0.02816358,0.203703704,0.444444444,0,-0.489558824,-0.044117647,0.162231559,-0.192810458,-0.016237745,0.083333333,0.354166667,0,1.755319385,1.112007843,1.012429161,1.291865768,0.761583031,0.447480228,0,0,1.625,1.222511574,1.14638448,1.253858025,0.689621914,0.376157407,0,0,1.625,1.222511574,1.14638448,1.253858025,0.689621914,0.376157407,0,0,1.625,1.222511574,1.14638448,1.253858025,0.689621914,0.376157407,0,0,1.625,1.222511574,1.14638448,1.253858025,0.689621914,0.376157407,0,0,1.625,1.222511574,1.14638448,1.253858025,0.689621914,0.376157407,0,0,2.102941176,0.871246936,0.749153828,1.377399918,0.871246936,0.597426471,0,0,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,46.76293868,23.25299712,34.91578997,46.57023035,5.821278793,23.25299712,-0.256944444,3.89E-16,4.86E-17,-28.38723008,26.40131945,3.300164931,2.61873119,0,11.89,12.11011416,-0.169035856,0.051418417,5.512550154,8.586130947,7,25,25,25,7,0,0,0,0,0,19.677726,3.574523796,3.101489964,2.723753363,2.575306449,1.92423326,1.744095946,1.288136135,0.801764835,1.948704756,1.669661871,1.453341321,1.374341706,0.942319753,0.843000671,0.542599084,0.287950024,3.599119055,3.141133145,2.777312368,2.635344871,2.005548036,1.833272234,1.394339446,0.935634121,1.892730457,1.589990306,1.356067346,1.270102422,0.816906761,0.709742075,0.3960242,0.122828495,3.708371245,3.313949361,3.006450737,2.889784995,2.341449071,2.199235012,1.821569341,1.456885847,1.730395931,1.348016717,1.050703404,0.938446788,0.404011052,0.266914215,0.10092888,0.451211033,3.617297672,3.170283105,2.816477119,2.679119236,2.064367535,1.897651895,1.470513059,1.030547104,1.857286538,1.53855301,1.292438027,1.201566386,0.733390689,0.620692447,0.297377104,0.01073456,3.762224513,3.396740649,3.113447808,3.007175732,2.4914679,2.361262737,2.006377226,1.674868587,1.680519263,1.270473056,0.949523501,0.826955631,0.259873085,0.110752411,0.280447435,0.665242944,3.580148549,3.226731387,2.942340846,2.830174566,2.169152693,1.988854382,1.539160102,1.129587959,1.881570033,1.467991507,1.155748079,1.042203552,0.603807729,0.498450375,0.192759037,0.11930666,0,0,0,0,0,4,2,2,0,0,0,0,0,0,0,0,0,0,0,0.471404521,0,0.166666667,0,0.471404521,0,0.166666667,0,1.276142375,1.138071187,0.666666667,1.276142375,1.138071187,0.666666667,6.568914101,3.718744015,2.771064349,2.259305623,0.804737854,0.166666667,0,0,0.821114263,0.531249145,0.346383044,0.282413203,0.201184464,0.166666667,0,0,6.568914101,3.718744015,2.771064349,2.259305623,0.804737854,0.166666667,0,0,0.821114263,0.531249145,0.346383044,0.282413203,0.201184464,0.166666667,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,52,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.176574074,0,2.656759259,0,0,0,1.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.260740741,0,1.32837963,0,0,0,0.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.327546296,0,1.32837963,0,0,0,0.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.708333333,0.2,2.327546296,0.2,0.916666667,6.02400463,0.416666667,0.327546296,2.353148148,0.416666667,0.327546296,2.353148148,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0.25,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.0653,1.13316,9.0653,0,0,3.71873,0.46484,3.71873,0,0,0.19527,0.02441,0.19527,0.02441,0,7,0,0,0,0,0,0,1,0.89049164,1.352030102,2.353533949,2.81507241,2.81507241,2.376577047,23.15278265,35.15278265,61.19188266,73.19188266,73.19188266,61.79100323,0.189448582,0.287639068,0.500705059,0.598895546,0.598895546,0.505607388,3.809948078,3.348409616,2.34690577,1.885367308,1.885367308,2.323862671,0.191756937,0.291143835,0.50680595,0.606192848,0.606192848,0.511768011,6.648700044,12.18716158,14.88760607,15.35275608,15.35275608,10.09081173,31.72521615,23.41346491,22.07229718,21.75251411,21.75251411,21.47599693,8,3.9375,2.8125,8,0,6,2.34,1.2358,1.668817935,3.614408014,4.298279727,0,0.333333333,2.828427125,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,3.31,8,8,4,1,0,0,0,0,0,36,2.079441542,2.197224577,2.197224577,1.609437912,0.693147181,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,2,1.333333333,0.375,0.08,0,0,0,0,0,0,0.285714286,0.166666667,0.046875,0.02,0,0,0,0,0,0,0.519255952,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,0,146.9243357,4,3.433987204,4.143134726,4.875197323,5.609471795,6.34738921,7.085901464,7.825245291,8.564649133,9.304285985,72.18926213,2.708050201,0,3.850147602,0,5.209486153,0,6.642486801,0,8.103191752,8.371242136,114.1408506,4.390032714,14.49160575,1.811450719,0,0,0,68,8,4.77,30,1.2278,2.116942009,2.891585598,3.540350992,4.221191693,5.420671653,7.058444873,0,0,0,71.2221278,74.49919381,80.64635164,63.03810421,33.48256727,17.83799085,7.171831732,0,0,0,272.5498825,326.3003669,381.1705458,380.9895487,291.396222,261.494311,219.4028965,0,0,0,8.919363223,15.03016952,20.36679815,24.80772697,29.03266459,36.86235503,47.42190778,0,0,0,2.081648384,2.695254639,3.274776271,3.536013851,3.088492415,3.153772732,3.138275679,0,0,0,176.77647,330.1832551,463.000294,575.1636384,727.6283361,967.0302533,1305.231053,0,0,0,2.496728889,3.403382069,4.613872086,5.717334224,5.765481153,6.532403224,7.058444873,0,0,0,0.4321989,0.568411947,0.695786993,0.760399123,0.679567967,0.708051041,0.722784755,0,0,0,386.3836951,170.7411405,9.288901912,130.1659684,-57.5197302,-7.813037154,256.2177267,228.2608707,17.10193907,0.748008802,0.330541577,0.017982592,0.251991198,-0.111353727,-0.015125433,199.5863677,88.19627866,4.798179157,67.23718717,-29.71179728,-4.035821712,0.067587796,0.146934612,0.985323937,8.373062457,516.5496635,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,758.5650936,27.54206045,9.120058373,1.68402738,1.526290971,549.2896212,455.6079474,134.9400024,1.205619051,4.070621102,3.376374236,4.21846949,4.466158665,7.63628977,0.709811572,5.020209962,6.639704814,2.933180332,28.20191537,8.625102626,7.28639905,9.679626432,15.96386685,9.217751689,3.704484017,3.632112305,0.073937924,1.544812114,1.267677695,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327102,0.182778582,8.839515583,2.040039688,0.190002846,0.810203283,0.829060378,2.140742745,0.063235935,0.028036494,0.008212694,0.127880219,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.63935305,0.631796352,11.49035953,2.492879758,0.890986114,2.219914354,2.932381448,2.972162498,0.367320732,0.272224788,0.01265383,0.413976048,0.093040371,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639663595,2.725040067,26.55615867,7.90665325,6.58750699,8.994882664,14.68850519,8.567590592,3.326205067,3.237603876,0.066739291,1.456961205,1.129478003,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.639386051,0.973406227,13.69650368,3.068389154,1.59414999,3.306621036,4.669013865,3.724962619,0.706464541,0.585783105,0.018367329,0.611301281,0.202096118,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.639877975,3.748977542,34.81816638,11.64321554,10.17435144,12.37588682,21.08201557,11.87129252,5.281485259,5.290215196,0.104196175,1.871341804,1.848788779,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.121827968,5.561207718,1.376810661,16.69134363,4.67071267,3.109639664,5.139406057,7.680775806,5.414712886,1.352297888,1.254115694,0.033401165,1.050802293,0.434373797,1.23E-06,2.74E-33,1.17E-81,9.71E-152,1.55E-243,0,0,0,0,0,0,0,0,0,0,0,4.668059509,1.571847047,0.590241609,0.683449231,0.230133668,0.48986518,0.456156105,0.447267179,6.830148166,11.02052804,22.18155958,0.525173846,1.393288464,3.810735526,1.001383039,0.180658046,0.763249755,0.200566362,0.325425964,0.183089664,0.042367796,4.99277661,4.685353856,10.36752264,0.644874633,0.550883424,4.163911407,1.236642579,0.349513196,0.724150045,0.215065762,0.389038979,0.280601997,0.157819768,5.750067181,7.036835022,14.58664006,0.586225067,0.827460743,4.648069591,1.55856854,0.580702684,0.684814527,0.229628743,0.48564238,0.448379156,0.433029953,6.787340815,10.84854646,21.84269207,0.527221791,1.367051489,4.315818379,1.337716995,0.422083646,0.710350396,0.220177893,0.418176866,0.328990885,0.229709952,6.07561902,8.159608416,16.67206135,0.565525595,0.976877702,4.730262571,1.613159794,0.619921054,0.679309103,0.231664546,0.503124383,0.48078745,0.493017846,6.963343419,11.56309047,23.2568465,0.518963654,1.476929679,4.662997142,1.563792496,0.581220542,0.684928051,0.229698907,0.488862471,0.451653254,0.433421443,6.808010179,10.91109798,21.95734507,0.527392076,1.373937167 +UMLS0114,L,"3,4-dimethylhexane",CCC(C)C(C)CC,11412,,"Sandia, UML",[1],C8H18,PubChem,,-5.4,0,-0.9841,0.96845281,23.5831,17.603516,0,0,18,6,12,0,5,0,1,0,0,0,0,0,0,0,989.481374,918.525433,1047.196341,924.136508,400.536025,90.93168,9.144576,0,0,2706.980219,3340.91352,4157.215774,3915.283615,2727.610504,1247.927098,279.7536999,0,0,131.675864,127.961068,226.90794,286.894208,243.837604,163.638144,60.466176,0,0,19.92305886,25.2786954,34.06730449,33.54359167,25.5846203,14.68429815,4.001516144,0,0,3038.434891,2530.053054,4954.678529,6588.328228,5664.217717,4247.253023,1664.258868,0,0,62.27777778,43.33333333,66.25,92,75,30,9,0,0,54.97118744,54.03090782,33.78052713,23.6958079,12.1374553,3.78882,1.016064,0,0,150.3877899,196.5243247,134.1037346,100.3918876,82.65486376,51.99696242,31.08374443,0,0,7.315325778,7.527121647,7.319610968,7.356261744,7.389018303,6.818256,6.718464,0,0,1.106836603,1.486982082,1.098945306,0.860092094,0.775291524,0.611845756,0.444612905,0,0,168.8019384,148.8266503,159.8283396,168.931493,171.6429611,176.9688759,184.917652,0,0,3.459876543,2.549019608,2.137096774,2.358974359,2.272727273,1.25,1,0,0,0.220916318,-0.112108781,0.001581439,0.019267737,-0.052395812,0.0283973,0.004799957,0,0,557.7912351,-66.11605249,-82.74028647,-43.74232996,-328.6979093,106.2665152,136.1344454,0,0,815.6252945,-79.2452518,-254.7450064,-82.37876295,-291.8851641,103.7120216,196.7295164,0,0,1.059967111,-0.095141383,0.003255753,-0.18348563,-0.502407259,0.154566519,0.093228444,0,0,3.576219349,-0.265723223,-1.464103123,-0.495926169,-0.542438663,0.24299,0.737091504,0,0,19.7674611,-1.32649563,-8.520916016,-3.006162159,-1.807642676,0.993742542,3.783743387,0,0,23.75308642,-4.15877915,-1.01920439,-0.085390947,-10.90843621,2.366255144,1.929012346,0,0,0.012273129,-0.006594634,5.10E-05,4.94E-04,-0.001587752,0.001183221,5.33E-04,0,0,30.98840195,-3.889179558,-2.669041499,-1.121598204,-9.960542705,4.427771466,15.12604949,0,0,45.31251636,-4.6614854,-8.21758085,-2.112275973,-8.845004973,4.321334232,21.85883516,0,0,0.058887062,-0.005596552,1.05E-04,-0.00470476,-0.015224462,0.006440272,0.010358716,0,0,0.198678853,-0.015630778,-0.047229133,-0.012716056,-0.016437535,0.010124583,0.081899056,0,0,1.098192283,-0.078029155,-0.274868259,-0.077081081,-0.054777051,0.041405939,0.420415932,0,0,1.319615912,-0.244634068,-0.032877561,-0.002189511,-0.330558673,0.098593964,0.214334705,0,0,-0.537322982,0.004156573,0.040254165,-0.129368144,0.096407434,0.043454982,0,0,-0.12550436,-0.086130337,-0.036194129,-0.321428085,0.142884795,0.488119701,0,0,-0.102874123,-0.181353443,-0.046615729,-0.195200039,0.095367342,0.482401705,0,0,-0.095038736,0.001783487,-0.079894625,-0.258536629,0.109366496,0.175908183,0,0,-0.078673586,-0.237715954,-0.064003065,-0.082734197,0.050959542,0.412218285,0,0,-0.071052361,-0.250291559,-0.070189057,-0.049879289,0.037703724,0.382825429,0,0,-0.185382781,-0.024914493,-0.001659204,-0.250496125,0.074714137,0.162422037,0,0,1.441835455,0.730198968,1.106100284,1.603515071,0.408280036,0,0,0,1.409452341,1.137818133,1.025935174,1.293520062,0.461221426,0,0,0,1.590373361,1.337815477,0.949813871,1.011263777,0.586538643,0,0,0,1.043987109,0.822591682,1.334941952,1.713577353,0.047545343,0,0,0,1.655711089,1.428720052,0.954985373,0.877747704,0.598020254,0,0,0,1.661705788,1.443354215,0.966465797,0.854855571,0.587692542,0,0,0,1.146049896,0.842033566,1.253998081,1.70791202,0.089462058,0,0,0,20.48424608,10.36712304,15.60319102,20.65091275,3.441818791,10.367203,0.25,2.34E-16,3.90E-17,-21.5945822,3000004.229,500000.7049,8.948474554,20.48715358,10.36820958,15.60427756,20.65333063,3.442221772,10.36828944,0.249265579,2.38E-16,3.96E-17,-21.58493016,3000004.229,500000.7049,8.948474554,23.11915886,11.36008219,16.59615017,22.85316254,3.808860424,11.36010905,-0.398994478,2.64E-16,4.40E-17,-21.5223154,3000004.229,500000.7049,8.948474554,20.49020524,10.36935002,15.605418,20.65586844,3.44264474,10.36942977,0.2484948,1.17E-16,1.95E-17,-22.01042277,3000004.229,500000.7049,8.948474554,25.99373482,12.45572028,17.76488038,25.27220531,4.212034218,12.45572904,-1.082294264,0.156267879,0.026044647,-1.113710141,32.60302982,5.433838303,2.090643134,20.78962176,10.48137797,15.71744595,20.90504455,3.484174092,10.48144791,0.173134186,3.58E-16,5.96E-17,-21.33979447,3000004.229,500000.7049,8.948474554,22.67072772,11.62703053,18.19007901,23.05961661,3.843269435,11.62705582,0.583333333,2.40E-16,3.99E-17,-21.58040393,3000004.078,500000.6797,8.948474524,0,11.89,15.99491589,-0.392504821,0.065108807,4.581744683,6.855005489,5,17,17,17,5,0,0,0,0,0,13.118484,3.46179812,2.902564078,2.45020918,1.726505411,1.598026915,0.869871873,0.083923071,0.083923071,1.84282221,1.563026335,1.114906261,0.769718516,0.597364197,0.285570659,0.083923071,0.083923071,3.45159127,2.950308951,2.383199868,1.695309721,1.60664093,0.948916999,0.270913902,0.270913902,1.800499119,1.473453684,1.062477916,0.630337185,0.580486486,0.148430833,0.270913902,0.270913902,3.604345854,3.155598408,2.718673573,2.120216645,2.090117344,1.49908293,0.943918427,0.943918427,1.597651593,1.195492746,0.673894311,0.162386152,0.014647061,0.450210452,0.943918427,0.943918427,3.463006259,2.985267979,2.399098612,1.765276817,1.60015617,1.018731147,0.399277246,0.399277246,1.774751622,1.415133181,1.034276625,0.547971474,0.536857124,0.046643965,0.399277246,0.399277246,3.655397916,3.252217518,2.803978208,2.26277616,2.236498878,1.705686017,1.207644823,1.207644823,1.546046051,1.104407163,0.576574831,0.004703131,0.108076948,0.65294828,1.207644823,1.207644823,4.289730788,3.271376884,3.106652036,2.255021256,1.874277641,1.25611368,0.6,0.6,1.68962311,1.283767308,0.748289814,0.397162369,0.058615032,0.324285348,0.6,0.6,0,0,0,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.129099445,0,0,0,0.577350269,0.288675135,0,0.25819889,0.129099445,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.438777427,2.488909033,1.470320087,0.942498641,0.288675135,0,0,0,0.739796238,0.497781807,0.294064017,0.23562466,0.288675135,0,0,0,8.965765927,17.6576839,16.70196078,16.96,10.27156647,139.5813569,0.498098107,0.980982439,0.92788671,0.942222222,0.570642582,7.754519827,1.1673,26.5888,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.51E-16,4.19E-17,-21.5515951,3000004.229,500000.7049,8.948474554,29,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.602777778,0,8.666666667,0,0,0,0,0,0,0,0,0,0,0.602777778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.597222222,0,0,0,0,0,0,0,0,0,0,0,3.960648148,0,1.770833333,0,0,0,-0.064814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.602777778,0,8.666666667,0,0,0,0,0,0,0,0,0,0,0.602777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.980324074,0,0.885416667,0,0,0,-0.064814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.602777778,0,8.666666667,0,0,0,0,0,0,0,0,0,0,0.602777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.980324074,0,0.885416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,2.388888889,0.602777778,8.666666667,0.2625,-0.064814815,2.53699537,1.398148148,2.666666667,5.333333333,1.398148148,2.666666667,5.333333333,2.83333,0.47222,0,0.02778,0.47593,0.82778,0.42,0.47593,0.75238,0.05593,0,-0.05593,0.0754,0.57047,0.14382,0,0.47059,0.17647,0,2.75,0.45833,2.75,0.45833,0,0,-2.75,-0.45833,0,0,4.94825,0.82471,5.73058,0.78233,0.13039,2.52648,0.42108,2.80805,0.28157,0.04693,0.10595,0.01766,0.10595,0.01766,0,5.01,1,1,1,1,1,1,1,1.134969975,1.833605679,2.641604168,2.641604168,2.409941668,1.594402779,20.42945954,33.00490222,47.54887502,47.54887502,43.37895002,28.69925001,0.272179949,0.439721501,0.633489611,0.633489611,0.577934056,0.382357663,3.034955027,2.336319323,1.528320834,1.528320834,1.759983334,2.575522223,0.27767102,0.448592623,0.646269892,0.646269892,0.589593535,0.390071504,10.25843817,15.60956847,16.42388957,16.42388957,13.64393957,5.478475726,21.93297423,16.70416525,17.25848056,17.25848056,15.86850556,9.556976394,6,3.2,3,6,0,5,1.9,0.8718,0.25,2.309401077,1,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,2.891,5,4,1,0,0,0,0,0,0,21,1.791759469,1.791759469,1.609437912,0.693147181,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.51E-16,4.19E-17,-21.5515951,3000004.229,500000.7049,8.948474554,20.23,103.8266085,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,88.088815,4.893823056,10.6758508,1.779308466,2.382088123,2.382088123,0,31,4,1.1,20,1.216411765,2.109456663,2.837767185,3.480028973,4.481040284,5.71185753,0,0,0,0,77.15821427,80.22774842,74.88118539,50.1477063,19.3994207,5.803612809,0,0,0,0,263.9099389,303.8103253,305.2442982,319.5048824,251.2648853,177.5459197,0,0,0,0,9.180431628,15.53605194,20.96503225,25.68476229,30.6400324,38.37490919,0,0,0,0,1.941447524,2.433242608,2.556275668,2.933791437,2.887757037,2.539565568,0,0,0,0,178.6200885,333.8264647,476.7067518,588.2875059,786.0626582,1056.223283,0,0,0,0,3.153882353,4.718798422,6.88373284,7.906305299,5.81963598,5.71185753,0,0,0,0,0.425350094,0.553804064,0.606759893,0.686820346,0.643049293,0.584894211,0,0,0,0,335.4808947,193.8877494,13.30525732,157.7923733,-91.19448715,-16.65448629,177.6885214,285.0822366,29.95974361,0.680111647,0.393063565,0.0269734,0.319888353,-0.1848762,-0.033763205,165.4837573,95.6396438,6.563127761,77.83475967,-44.98380271,-8.215212879,0.363563845,0.679123554,7.648680863,17.92879904,445.8352926,47.43797544,0.903830233,0.096169767,346.0061755,18.60124124,7.020390718,470.5945044,21.69319028,7.778256915,555.2486122,23.56371389,8.219192661,1.91052409,1.91052409,293.0066545,254.5102644,67.3752271,1.151256729,4.348878173,3.777505106,3.495478908,3.220194404,6.42424645,0.994987148,3.782243497,4.176847,2.888636564,12.42258577,6.724788054,1.634169419,3.527856074,8.407094306,1.622543825,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337322539,4.3037216,0.225974352,4.241622169,0.449337384,0.036582708,0.307488076,0.333548636,0.940625909,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0.969469194,4.067497395,0.649042657,4.643085201,0.851418431,0.150455816,0.760213287,1.321857408,0.987597981,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.793087398,4.303382321,2.894917209,12.41627183,6.153641673,1.539875968,3.320056449,7.679466809,1.548172241,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.361918399,3.977740142,0.921502565,5.161585117,1.394559365,0.271715605,1.116098183,2.19617127,1.047225431,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.748236975,4.257081772,3.752865132,16.15275326,9.49149678,2.379757704,4.623916014,11.36614645,1.934951627,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.484116726,4.516875743,2.474008558,11.58835823,3.573018715,1.002994948,2.145647842,3.669080219,1.59785533,1.718839852,0.058521852,0.405615798,2.89E-15,3.97E-51,1.05E-108,5.38E-188,5.30E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.863918775,0.813898426,0.567370812,0.736659728,0.155170496,0.542823503,0.44776075,0.476338294,5.245188012,5.798894351,12.82837132,0.604989592,1.466922548,2.726589511,0.627470715,0.164383046,0.774942013,0.178337596,0.270091724,0.251639161,0.036471688,3.518443272,2.262205707,6.061884548,0.662413019,0.558202574,3.359449719,0.611606358,0.33405638,0.780339597,0.142065129,0.41011591,0.253399246,0.166307347,4.305112457,3.381217425,8.372702434,0.670509395,0.829822503,3.767049099,0.831771238,0.549414111,0.731716696,0.161564367,0.515931476,0.458152547,0.432057699,5.148234449,5.659979882,12.52970625,0.597575044,1.406141722,3.608158046,0.634527112,0.410039263,0.775493607,0.13637754,0.473158157,0.284495484,0.263479742,4.652724422,4.029141603,9.6206403,0.663240411,1.021133383,3.902262439,0.846734171,0.593473124,0.730422938,0.15849115,0.553693343,0.480906677,0.514785722,5.342469734,6.122580807,13.42599195,0.595634407,1.549385742,3.786556158,0.831517239,0.550665786,0.732587972,0.160874289,0.521285309,0.457938209,0.434156295,5.168739182,5.691601737,12.5941599,0.598881959,1.413379813 +UMLS0115,L,3-Pentanol,CCC(CC)O,11428,Co optima database valuese measured by NREL,Sandia,,C5H12O,PubChem,,12.2,0,0.7252,0.52591504,36.0652,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1483.122152,1443.843247,1023.243652,572.328626,169.670592,18.289152,0,3947.642614,5029.877407,6806.459662,7549.505646,6651.959874,4416.199653,2122.849263,559.5073998,0,181.25648,180.900988,339.441056,442.589308,500.589328,432.890696,246.65472,120.932352,0,30.31423229,39.56609758,57.48793273,67.16429045,64.1329453,46.0778153,24.03324144,8.003032287,0,4342.872585,3643.766351,7584.388218,10161.91546,12000.54422,10897.6634,6275.494221,3328.517736,0,42.05555556,49.69444444,75.33333333,99,106.3333333,84,48,18,0,45.09238923,49.11105724,30.89837817,22.91814678,14.21171739,9.084581365,4.713072,1.016064,0,151.8324082,201.1950963,141.801243,119.833423,92.38833159,70.09840718,58.96803508,31.08374443,0,6.971403077,7.23603952,7.071688667,7.025227111,6.952629556,6.871280889,6.85152,6.718464,0,1.165932011,1.582643903,1.197665265,1.066099848,0.890735351,0.731393894,0.66759004,0.444612905,0,167.033561,145.7506541,158.0080879,161.3002454,166.6742252,172.9787841,174.3192839,184.917652,0,1.617521368,1.987777778,1.569444444,1.571428571,1.476851852,1.333333333,1.333333333,1,0,0.036023545,-0.007300622,-0.003105822,-0.006726247,-0.011367872,0.004471888,-0.003538078,0.009554982,0,670.5194345,-58.02572029,-45.8474827,-218.4919097,-255.0266225,70.20395788,-34.38561202,206.3136721,0,1246.859521,-107.9013047,-85.25535183,-406.2950361,-474.2328946,130.5472575,-63.94151388,383.6490833,0,0.131350154,-0.01136684,-0.008981207,-0.042801065,-0.049957964,0.013752473,-0.006735905,0.040415432,0,5.574042193,-0.482369036,-0.38113109,-1.816327851,-2.120041689,0.583606982,-0.285848318,1.715089906,0,30.27828566,-2.620236259,-2.070310131,-9.866321716,-11.5161001,3.170162387,-1.552732598,9.316395587,0,3.487179487,-1.724852071,0.382642998,0.018244576,-1.220907298,0.851577909,-0.905325444,0.855029586,0,0.001385521,-2.92E-04,-6.47E-05,-1.07E-04,-1.58E-04,7.10E-05,-9.83E-05,5.31E-04,0,25.78920902,-2.321028812,-0.95515589,-3.468125551,-3.542036424,1.114348538,-0.95515589,11.46187067,0,47.95613541,-4.316052187,-1.776153163,-6.449127557,-6.58656798,2.07217869,-1.776153163,21.31383796,0,0.005051929,-4.55E-04,-1.87E-04,-6.79E-04,-6.94E-04,2.18E-04,-1.87E-04,0.002245302,0,0.214386238,-0.019294761,-0.007940231,-0.028830601,-0.029445023,0.009263603,-0.007940231,0.095282773,0,1.164549448,-0.10480945,-0.043131461,-0.156608281,-0.159945835,0.050320038,-0.043131461,0.517577533,0,0.134122288,-0.068994083,0.007971729,2.90E-04,-0.016957046,0.01351711,-0.025147929,0.047501644,0,-0.210769008,-0.046700575,-0.077058256,-0.113955051,0.051231518,-0.070933575,0.383128316,0,-0.09,-0.037037037,-0.134479718,-0.137345679,0.043209877,-0.037037037,0.444444444,0,-0.09,-0.037037037,-0.134479718,-0.137345679,0.043209877,-0.037037037,0.444444444,0,-0.09,-0.037037037,-0.134479718,-0.137345679,0.043209877,-0.037037037,0.444444444,0,-0.09,-0.037037037,-0.134479718,-0.137345679,0.043209877,-0.037037037,0.444444444,0,-0.09,-0.037037037,-0.134479718,-0.137345679,0.043209877,-0.037037037,0.444444444,0,-0.514411765,0.059436275,0.002159197,-0.126429739,0.100781979,-0.1875,0.354166667,0,1.74617111,1.10355879,1.136696138,1.084392143,0.749737928,0.873692882,2.09E-05,0,1.625,1.222511574,1.21803351,1.065779321,0.7164903,0.752314815,0,0,1.625,1.222511574,1.21803351,1.065779321,0.7164903,0.752314815,0,0,1.625,1.222511574,1.21803351,1.065779321,0.7164903,0.752314815,0,0,1.625,1.222511574,1.21803351,1.065779321,0.7164903,0.752314815,0,0,1.625,1.222511574,1.21803351,1.065779321,0.7164903,0.752314815,0,0,2.126838235,0.771675858,1.005193744,1.145067402,0.730187908,1.194852941,0,0,36.36295528,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,1.07E-14,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,36.36295528,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,1.07E-14,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,36.36295528,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,1.07E-14,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,36.36295528,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,1.07E-14,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,36.36295528,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,1.07E-14,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,36.36295528,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,1.07E-14,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,47.61019995,23.67662775,36.28758522,47.41749162,5.927186452,23.67662775,-0.256944444,0.070492973,0.008811622,-2.121793797,44.93813846,5.617267307,3.044229474,0,11.89,12.11011416,-0.163405954,0.057491962,5.284181949,8.585130436,7,25,25,25,7,0,0,0,0,0,19.677726,3.564578259,3.142620643,2.755690837,2.333552793,2.232858563,1.606172094,1.280298168,0.815968603,1.944821197,1.693732656,1.462431343,1.249629723,1.138422436,0.7231645,0.555135169,0.293018372,3.589679474,3.180949203,2.806781694,2.405454588,2.302844544,1.696156481,1.389534726,0.948567065,1.888168012,1.616117162,1.367065751,1.134540686,1.0235637,0.586994937,0.407724298,0.128482014,3.701005283,3.348151005,3.026931031,2.704236987,2.596224924,2.066933117,1.826349433,1.465827863,1.72341157,1.381151209,1.069722595,0.76031856,0.651663112,0.135713468,0.094839549,0.442828738,3.608223213,3.209135616,2.84423232,2.457539916,2.353708846,1.761221273,1.467721626,1.042641887,1.85225364,1.566076462,1.304838453,1.058262671,0.947538182,0.49608725,0.308319902,0.016830175,3.75576927,3.428379591,3.130535196,2.838982085,2.729578068,2.231688554,2.014075277,1.682543989,1.672652841,1.306059322,0.972008991,0.631337262,0.524315499,0.022900049,0.277585574,0.655494846,3.577142295,3.259271789,2.961466207,2.634654398,2.457518917,1.829009002,1.54509417,1.139981453,1.871442855,1.500861069,1.174789618,0.878556837,0.818797869,0.391000613,0.197867844,0.112105304,0,0,0,0,0,4,2,2,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.569035594,0,0.23570226,0,1.207106781,0.666666667,0.666666667,1.207106781,0.666666667,0.666666667,6.568914101,3.680739213,3.009975955,1.882088123,0.788675135,0.333333333,0,0,0.821114263,0.525819888,0.376246994,0.268869732,0.197168784,0.166666667,0,0,6.568914101,3.680739213,3.009975955,1.882088123,0.788675135,0.333333333,0,0,0.821114263,0.525819888,0.376246994,0.268869732,0.197168784,0.166666667,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.160416667,0,2.719259259,0,0,0,1.786990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.248888889,0,1.332685185,0,0,0,0.870324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.327546296,0,1.386574074,0,0,0,0.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.708333333,0.2,2.327546296,0.2,0.870324074,6.027454028,0.463009259,0.327546296,2.320833333,0.463009259,0.327546296,2.320833333,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0.25,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.01229,1.12654,9.01229,0,0,3.68073,0.46009,3.68073,0,0,0.23327,0.02916,0.23327,0.02916,0,7,0,0,0,0,0,0,1,0.89049164,1.352030102,2.478345968,3.189508468,3.507380102,3.068884739,23.15278265,35.15278265,64.43699516,82.92722016,91.19188266,79.79100323,0.189448582,0.287639068,0.527258324,0.678555339,0.746181275,0.652893117,3.809948078,3.348409616,2.22209375,1.510931251,1.193059616,1.631554979,0.191756937,0.291143835,0.533682756,0.686823264,0.755273195,0.660848358,6.648700044,12.18716158,16.3853503,18.26677788,18.58713687,13.32519251,31.72521615,23.41346491,20.30332596,17.2708372,16.51025192,15.587175,8,3.9375,3.673469388,8,0,6,2.34,1.2358,1.72030651,3.150627212,4.521745165,0,1,2.149139864,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,3.31,8,7,4,2,0,0,0,0,0,36,2.079441542,2.197224577,2.079441542,1.609437912,1.098612289,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,2,1.111111111,0.375,0.16,0,0,0,0,0,0,0.285714286,0.138888889,0.053571429,0.04,0,0,0,0,0,0,0.518174603,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,0,146.9243357,4,3.433987204,4.110873864,4.844187086,5.556828062,6.289715571,7.01301579,7.744569809,8.471568013,9.202207389,71.66695279,2.708050201,0,3.850147602,0,5.176149733,0,6.577861358,0,8.011355109,8.288283045,114.1408506,4.390032714,14.49604135,1.812005168,0,0,0,70,7,4.77,30,1.2278,2.116942009,2.892113875,3.525657447,4.322663141,5.452718765,6.36847156,0,0,0,71.2221278,74.49919381,74.9659962,60.03110189,47.82739106,27.94486325,6.470774688,0,0,0,272.5498825,326.3003669,370.1873692,357.9654271,336.5859243,338.4748734,197.9559424,0,0,0,8.919363223,15.03016952,20.36648997,24.60132367,29.81514646,37.44023868,42.78634691,0,0,0,2.081648384,2.695254639,3.223798656,3.349020441,3.39430983,3.775631794,2.83150464,0,0,0,176.77647,330.1832551,463.0647242,581.0240432,739.0661882,944.0758809,1177.642808,0,0,0,2.491652222,3.442533592,4.659950637,5.389330385,6.02574831,7.472780394,6.36847156,0,0,0,0.4321989,0.568411947,0.68633069,0.721773567,0.741483006,0.836318882,0.652131488,0,0,0,393.9273135,174.2457451,9.48213876,146.8652023,-64.9628389,-8.926187193,247.0621112,239.208584,18.40832595,0.728425971,0.322204431,0.017533783,0.271574029,-0.120125255,-0.016505752,213.0329429,94.23079487,5.127869676,79.42360225,-35.13141709,-4.827215229,0.067521354,0.147308398,0.884276712,9.589586469,540.7925158,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,746.9549217,27.33047606,9.07329012,1.499478194,1.243862349,582.3960353,479.6633121,143.1793848,1.214176737,4.067596993,3.350086416,4.339155828,4.466158665,7.63628977,0.709811572,5.020209962,6.639712793,3.013565844,25.69186854,8.1312814,5.001251206,7.9048014,18.46014921,8.131692427,4.215861543,4.174705492,0.410757475,1.952300582,1.267677768,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327158,0.183344747,8.70417369,1.544863857,0.108803921,0.717010875,0.92347179,2.122239065,0.109750566,0.079119959,0.010595825,0.130750194,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639353636,0.637696202,11.00383624,1.999704037,0.556003289,1.882338446,3.3129853,2.837109035,0.514878692,0.433473113,0.037402441,0.443883397,0.093040376,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639670705,2.796662113,24.2387339,7.413358851,4.506653134,7.35798417,16.96554977,7.582744506,3.81130142,3.753587283,0.366846941,1.820026094,1.129478069,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.639387323,0.986221481,12.92925265,2.576074671,1.026729573,2.771925907,5.306675616,3.479805185,0.921558061,0.819735271,0.072097839,0.676264037,0.202096129,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.639889611,3.866212245,31.54128436,11.14675138,7.054030695,10.05066678,24.47201099,10.36977213,5.887697863,5.92738104,0.595380337,2.465625438,1.848788887,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.121827968,5.534127292,1.383549513,15.86280738,4.000045433,2.032623753,4.215846701,8.971781162,4.827711628,1.704461012,1.650682459,0.148861965,1.190429513,0.434373822,1.23E-06,2.74E-33,1.17E-81,9.71E-152,1.55E-243,0,0,0,0,0,0,0,0,0,0,0,4.847348613,1.673203822,0.584092069,0.68227884,0.235508451,0.493418202,0.44320762,0.438450648,7.104644504,11.91920519,23.76118813,0.52341826,1.37507647,4.025387496,1.077120485,0.177103589,0.762440085,0.2040151,0.34125029,0.184955989,0.041000799,5.279611571,5.239499811,11.28700197,0.643660128,0.567207079,4.364008411,1.322856137,0.344952111,0.723498186,0.219313055,0.400549585,0.278144232,0.154446593,6.031816659,7.734651239,15.75786102,0.585247279,0.833140411,4.828184312,1.65932107,0.574619238,0.683673055,0.234960605,0.489551664,0.435950129,0.424508462,7.06212462,11.73935336,23.40504458,0.525509582,1.350010255,4.50964906,1.428471511,0.417061727,0.709601841,0.224772704,0.427514057,0.323930366,0.225087519,6.355182298,8.918468026,17.96032243,0.564402762,0.976531943,4.906982324,1.716398683,0.613564295,0.67804607,0.237171709,0.505547156,0.466165739,0.483233793,7.236945302,12.4862081,24.89079928,0.517069106,1.454946687,4.84249163,1.665811762,0.575075602,0.68364147,0.235171909,0.492417805,0.439282093,0.424813307,7.083378994,11.80944601,23.53177558,0.525462205,1.356513206 +UMLS0116,L,"2,3-Dimethylhexane",CCCC(C)C(C)C,11447,,"Sandia, UML",[1],C8H18,PubChem,,-7.6,0,-0.0844,0.00712336,30.6077,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1168.347606,1059.474365,750.796203,366.427321,93.979872,9.144576,0,3461.958223,4376.887272,5667.785137,5815.662656,4863.490598,3129.647608,1341.178331,279.7536999,0,160.279036,159.125208,296.687832,377.285684,374.843244,309.53962,183.793536,60.466176,0,26.63610648,34.55010896,48.7938183,53.12274887,47.09631187,33.0547703,16.01813686,4.001516144,0,3846.242925,3210.7269,6654.719106,8868.264018,9048.100818,7754.449376,4802.005979,1664.258868,0,36.52777778,43.25,65.25,79.58333333,78,61,33,9,0,44.61329874,48.14991518,27.81780014,19.61989565,13.90363339,8.142829356,3.480736,1.016064,0,150.5199227,198.9494215,134.9472652,107.6974566,90.0646407,69.54772462,49.67327153,31.08374443,0,6.968653739,7.232964,7.063996,6.986771926,6.941541556,6.878658222,6.807168,6.718464,0,1.158091586,1.570459498,1.161757579,0.983754609,0.872153924,0.734550451,0.593264328,0.444612905,0,167.2279533,145.9421318,158.445693,164.2271114,167.5574226,172.3210972,177.8520733,184.917652,0,1.588164251,1.965909091,1.553571429,1.473765432,1.444444444,1.355555556,1.222222222,1,0,0.032503873,-0.005861214,-0.00794553,-0.003306304,-0.004926974,-0.001999363,0.003059188,0.004728259,0,589.5388264,-58.58770946,-129.0760474,-115.5734112,-136.6283693,-37.53275137,81.70239171,100.9264839,0,1096.272622,-108.9463475,-240.0224219,-214.9136934,-254.066287,-69.79375388,151.9290862,187.6771065,0,0.115486609,-0.01147693,-0.025285112,-0.022640038,-0.02676456,-0.007352408,0.016004938,0.019770805,0,4.900848691,-0.487040864,-1.073011903,-0.960764204,-1.135794514,-0.312010553,0.679193705,0.839003988,0,26.62148787,-2.645613702,-5.828617687,-5.218886404,-6.169653828,-1.694846278,3.689390983,4.557482978,0,2.845410628,-1.174595673,-0.308286074,0.134688091,-0.238500315,-0.164933837,-0.06852552,0.397448015,0,0.001413212,-2.66E-04,-1.89E-04,-6.12E-05,-9.12E-05,-4.44E-05,1.13E-04,5.25E-04,0,25.63212289,-2.663077703,-3.073239224,-2.140248356,-2.530154988,-0.834061142,3.026014508,11.21405376,0,47.66402704,-4.952106706,-5.714819569,-3.97988321,-4.704931241,-1.550972309,5.627003192,20.85301183,0,0.005021157,-5.22E-04,-6.02E-04,-4.19E-04,-4.96E-04,-1.63E-04,5.93E-04,0.002196756,0,0.213080378,-0.022138221,-0.025547902,-0.01779193,-0.021033232,-0.006933568,0.025155322,0.093222665,0,1.157455995,-0.120255168,-0.138776612,-0.096646045,-0.114252849,-0.037663251,0.13664411,0.506386998,0,0.123713506,-0.053390712,-0.007340145,0.002494224,-0.004416673,-0.003665196,-0.002537982,0.044160891,0,-0.188520067,-0.133864767,-0.043325311,-0.064562334,-0.031439227,0.080174282,0.371750454,0,-0.103896104,-0.119897959,-0.083498677,-0.098710317,-0.032539683,0.118055556,0.4375,0,-0.103896104,-0.119897959,-0.083498677,-0.098710317,-0.032539683,0.118055556,0.4375,0,-0.103896104,-0.119897959,-0.083498677,-0.098710317,-0.032539683,0.118055556,0.4375,0,-0.103896104,-0.119897959,-0.083498677,-0.098710317,-0.032539683,0.118055556,0.4375,0,-0.103896104,-0.119897959,-0.083498677,-0.098710317,-0.032539683,0.118055556,0.4375,0,-0.431567372,-0.059331797,0.02016129,-0.035700811,-0.029626486,-0.020514997,0.356960951,0,1.727154756,1.209809405,1.021645895,1.009194551,0.861467339,0.583673553,1.51E-08,0,1.642857143,1.290816327,1.087632275,1.003968254,0.803174603,0.501984127,0,0,1.642857143,1.290816327,1.087632275,1.003968254,0.803174603,0.501984127,0,0,1.642857143,1.290816327,1.087632275,1.003968254,0.803174603,0.501984127,0,0,1.642857143,1.290816327,1.087632275,1.003968254,0.803174603,0.501984127,0,0,1.642857143,1.290816327,1.087632275,1.003968254,0.803174603,0.501984127,0,0,2.040322581,0.920446277,0.859083192,1.026127146,0.987945671,0.859083192,0,0,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,36.77045554,18.29296587,28.35009323,36.63865282,5.23409326,18.29296589,-0.18452381,0.044253682,0.006321955,-2.182471697,23.05157387,3.293081982,2.196413834,0,11.89,12.11009426,-0.169148055,0.051271425,5.205584379,7.956379543,6,22,22,22,6,0,0,0,0,0,17.491312,3.513114128,3.071856517,2.688670694,2.233248777,1.776372742,1.396431061,0.930872281,0.083923071,1.921555107,1.656855366,1.432571689,1.139580706,0.859974435,0.651168221,0.361399181,0.083923071,3.540559641,3.113111403,2.743477416,2.303286336,1.863932868,1.502723355,1.058534859,0.270913902,1.861678808,1.575544616,1.333760036,1.024619841,0.728078729,0.504550424,0.20099611,0.270913902,3.661469382,3.29212709,2.977651733,2.596903846,2.223976014,1.930021187,1.557723544,0.943918427,1.685639611,1.327263863,1.022809842,0.652389658,0.290687386,0.007523115,0.353869665,0.943918427,3.560792974,3.143400625,2.78353999,2.354189513,1.927186899,1.578932786,1.149164306,0.399277246,1.82355259,1.522942124,1.269062686,0.948526365,0.640005638,0.40587786,0.092299111,0.399277246,3.720446316,3.377434827,3.086797123,2.730372543,2.383750373,2.114833279,1.767609835,1.207644823,1.630804989,1.247214842,0.91952574,0.52493374,0.136817796,0.171995084,0.559571488,1.207644823,3.542208774,3.213963171,2.9227269,2.468351898,2.026762165,1.67067351,1.247616643,0.591549296,1.827687999,1.439546903,1.12040559,0.810651265,0.510022989,0.280579946,0.037436701,0.591549296,0,0,0,0,0,3,3,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.49279928,0.40824829,0.204124145,0.49279928,0.40824829,0.204124145,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,6.801574074,0,4.082685185,0,0,0,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.242222222,0,1.341111111,0,0,0,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.309027778,0,1.399305556,0,0,0,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.69047619,0.2,2.309027778,0.2,0.949074074,5.309490741,0.384259259,0.309027778,1.603148148,0.384259259,0.309027778,1.603148148,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.42857,0.14286,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.07892,1.01127,7.07892,0,0,3.30805,0.47258,3.30805,0,0,0.10595,0.01514,0.10595,0.01514,0,6,0,0,0,0,0,0,1,0.886540893,1.327484782,2.521861955,3.207707064,3.017944979,2.379571242,20.39044053,30.53214998,58.00282497,73.77726248,69.41273451,54.73013857,0.195982923,0.293460064,0.557494731,0.709110894,0.66716119,0.526039273,3.637021063,3.196077174,2.001700001,1.315854892,1.505616978,2.143990714,0.19880132,0.297680264,0.565511969,0.719308499,0.676755523,0.533604155,6.634953582,11.92628025,16.71908002,16.45445059,14.94658598,10.9352509,27.76507516,20.80617277,17.57522093,17.11297261,19.39173394,16.41148336,7,4.166666667,3.84,7,0,6,2.23,1.0949,0.766309432,4.112265279,1.650963624,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.039,6,5,3,1,0,0,0,0,0,28,1.945910149,1.945910149,1.791759469,1.386294361,0.693147181,0,0,0,0,0,3.36729583,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,6,1,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,0,129.6283511,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,100.1252005,4.353269587,12.66537523,1.809339318,0,0,0,50,5,4.262,24,1.224818182,2.11142556,2.867533957,3.525187397,4.36918953,5.563380252,7.058444873,0,0,0,69.72220731,66.73106956,64.29670785,59.79718573,44.26043391,22.09307243,7.171831732,0,0,0,268.787596,308.3215324,331.3002501,351.9450334,340.1511157,296.9300748,219.4028965,0,0,0,8.893455721,14.97034384,20.08381424,24.56302577,30.1827031,37.96906017,47.42190778,0,0,0,2.059771149,2.597411395,2.956662873,3.295888154,3.465837725,3.465113537,3.138275679,0,0,0,176.6115071,330.5407757,467.4308715,583.7815225,742.9770141,981.6370519,1305.231053,0,0,0,2.466049242,3.384750067,4.327180033,5.271150248,6.218951454,7.045689013,7.058444873,0,0,0,0.427911136,0.549535126,0.632467242,0.710702546,0.757650181,0.773655823,0.722784755,0,0,0,381.0301594,150.5104252,9.240304407,140.8270612,-55.6279873,-8.554166061,240.2030982,206.1384125,17.79447047,0.730142545,0.288413036,0.017706576,0.269857455,-0.106596182,-0.016391775,198.8433399,78.54495217,4.822119576,73.49161876,-29.02986684,-4.464053325,0.075001756,0.164955492,1.169730682,10.73838948,521.8572206,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,598.4971078,24.46420053,8.427278607,1.89259598,1.526290971,483.5382822,439.5710476,80.20393844,1.100023045,6.028859576,5.480666612,4.019056751,4.466158665,7.63628977,0.709811572,4.462408855,5.691185733,2.523473062,22.07828065,7.839961149,5.513492167,6.198358568,8.891993467,6.032234781,2.422975435,2.910398195,0.073937921,1.544812114,1.267677695,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851887,0.161895582,6.467581135,1.046305104,0.171644691,0.531568745,0.420956045,2.069101809,0.054172639,0.022953403,0.008212694,0.127880219,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690874825,0.55548736,8.252787789,1.509035101,0.745805086,1.410923038,1.533025675,2.611946213,0.273168838,0.219255056,0.012653829,0.413976048,0.093040371,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691149302,2.34760599,20.62688193,7.097177789,5.003844943,5.753321569,8.155110881,5.695471762,2.184378152,2.594569597,0.066739288,1.456961205,1.129478003,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690903994,0.851940353,9.894342239,2.101039475,1.293225955,2.096925619,2.479641444,3.063607087,0.502046392,0.470725769,0.018367329,0.611301281,0.202096118,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691338777,3.210160512,28.01501293,10.96130198,7.60784131,7.957538365,11.86819189,7.386008805,3.412647832,4.237662994,0.104196171,1.871341804,1.848788779,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,2.765215168,4.950965967,1.235374837,12.66535211,3.623676924,2.531053764,3.217684934,3.928312033,4.191038531,0.93240862,1.028201207,0.03411055,1.073119595,0.443599177,1.26E-06,2.80E-33,1.20E-81,9.92E-152,1.58E-243,0,0,0,0,0,0,0,0,0,0,0,5.077399275,1.103250795,0.584503124,0.750522439,0.163078465,0.508613498,0.435401278,0.435706437,6.765153195,9.214254066,19.25358614,0.625783658,1.379721213,4.20910626,0.620836848,0.181093231,0.839967219,0.123893903,0.349627151,0.137456934,0.042081886,5.011036339,3.487838266,8.972101688,0.759950829,0.529165971,4.5685986,0.820779259,0.348212092,0.796257425,0.143052966,0.41182159,0.240615132,0.155194704,5.737589952,5.626457514,12.66977699,0.694386137,0.807631426,5.057321662,1.092114576,0.575183676,0.752060596,0.162405398,0.504599092,0.42663456,0.421983095,6.724619914,9.060230041,18.96168988,0.628090894,1.353216747,4.722444579,0.906249705,0.419686898,0.780778267,0.149833431,0.440004182,0.293493126,0.225198282,6.048381182,6.642003249,14.48652432,0.671167401,0.95869559,5.139824419,1.137870382,0.613476745,0.745856403,0.16512002,0.521197446,0.46322455,0.47976118,6.891171545,9.699673745,20.1787358,0.618784604,1.464183176,5.075117168,1.094685998,0.575927151,0.752345103,0.162278352,0.508156055,0.428619509,0.422618901,6.745730316,9.109016857,19.05440243,0.628517654,1.359394466 +UMLS0117,L,3-Methylhexane,CCCC(C)CC,11507,,"Sandia, UML",[1],C7H16,PubChem,,-3.8,0,-0.3796,0.14409616,29.1534,19.363516,0,0,19,7,12,0,6,0,1,0,0,0,0,0,0,0,1133.745495,1058.76965,1188.456622,1067.384565,716.772887,323.876617,84.835296,9.144576,0,3130.497121,3797.153407,4644.539406,4307.716772,3247.508299,2127.761402,1061.424631,279.7536999,0,139.21638,133.148048,238.813384,287.71626,225.06698,174.31498,123.32736,60.466176,0,22.71195886,28.64637172,37.87959372,35.88787876,27.3996407,19.97477611,12.01662072,4.001516144,0,3165.229247,2624.785681,5234.328808,6530.204932,5019.500517,4062.749184,3137.747111,1664.258868,0,78.52777778,45.91666667,70.75,99.91666667,84.5,52,24,9,0,59.67081553,58.82053611,36.01383703,27.368835,23.89242957,13.49485904,4.713072,1.016064,0,164.7630063,210.9529671,140.7436184,110.4542762,108.2502766,88.65672507,58.96803508,31.08374443,0,7.327177895,7.397113778,7.236769212,7.37734,7.502232667,7.263124167,6.85152,6.718464,0,1.195366256,1.591465096,1.147866476,0.92020202,0.913321357,0.832282338,0.66759004,0.444612905,0,166.591013,145.8214267,158.6160245,167.4411521,167.3166839,169.281216,174.3192839,184.917652,0,4.133040936,2.550925926,2.143939394,2.561965812,2.816666667,2.166666667,1.333333333,1,0,0.126537503,-0.046314752,-0.006501849,0.007127583,-0.003157852,-0.019175743,-1.08E-04,0.00486179,0,605.7336044,-45.41908671,-27.34060142,-13.52325939,-228.5785382,-197.3498514,45.73754676,163.6069882,0,916.6964704,-95.75164029,-214.459928,2.978736188,-212.8169417,-203.8746415,20.43736773,245.1388123,0,1.062550737,-0.002447645,0.109778404,-0.195828565,-0.400939058,-0.240251457,0.100081197,0.098331756,0,4.063287563,-0.461433045,-1.426951984,-0.029278688,-0.490865693,-0.506295278,-0.061127079,0.944307985,0,22.47243353,-2.562605463,-8.525997698,-0.329274982,-2.023326988,-2.129787261,-0.558110864,4.892886488,0,33.75438596,-0.701523546,1.145891043,-5.438827331,-9.827100646,-6.575715605,1.943213296,2.576869806,0,0.006659869,-0.002573042,-1.97E-04,1.83E-04,-1.05E-04,-7.99E-04,-6.00E-06,5.40E-04,0,31.88071602,-2.523282595,-0.828503073,-0.346750241,-7.619284608,-8.222910474,2.54097482,18.17855424,0,48.24718265,-5.319535572,-6.498785696,0.076377851,-7.093898055,-8.494776728,1.135409318,27.23764581,0,0.055923723,-1.36E-04,0.003326618,-0.005021245,-0.013364635,-0.010010477,0.005560066,0.010925751,0,0.21385724,-0.025635169,-0.043240969,-7.51E-04,-0.01636219,-0.021095637,-0.003395949,0.104923109,0,1.18275966,-0.14236697,-0.258363567,-0.008442948,-0.067444233,-0.088741136,-0.031006159,0.543654054,0,1.77654663,-0.03897353,0.034723971,-0.139457111,-0.327570022,-0.27398815,0.107956294,0.286318867,0,-0.38635023,-0.029584024,0.027441765,-0.015805379,-0.119970728,-9.00E-04,0.081112539,0,-0.079147614,-0.025987593,-0.010876488,-0.238993522,-0.257927409,0.079702564,0.570205331,0,-0.11025588,-0.134697724,0.001583053,-0.147032379,-0.176067829,0.023533173,0.564543758,0,-0.002431532,0.059484922,-0.089787392,-0.238979713,-0.179002342,0.099422324,0.195368801,0,-0.119870476,-0.202195489,-0.003510452,-0.076509871,-0.098643546,-0.015879513,0.490622199,0,-0.12036847,-0.218441308,-0.007138346,-0.057022771,-0.075028883,-0.026215097,0.459648797,0,-0.021937803,0.01954577,-0.078498987,-0.184385828,-0.154225139,0.060767498,0.161165974,0,1.124231077,0.782423847,1.266503624,1.551255154,1.077893154,0.174611671,1.24E-05,0,1.212328523,0.995485519,1.000307492,1.283904329,1.166880737,0.59960026,0,0,1.492302918,1.226099545,0.89480256,1.031927374,1.023355056,0.736756672,0,0,0.521883785,0.532804333,1.410031057,1.905304594,1.277830275,0.066959626,0,0,1.578834284,1.31705836,0.889952635,0.954049145,0.933888399,0.743061575,0,0,1.583316226,1.329172695,0.900141658,0.950015396,0.912289051,0.729815845,0,0,0.540670478,0.558849934,1.405515353,1.871608628,1.260947245,0.088877339,0,0,27.48565425,13.86782713,21.52624284,27.66422568,3.95203224,13.8678301,0.25,0.085547374,0.012221053,-1.721079481,24.69870358,3.528386225,2.244725529,27.48734558,13.86830558,21.52675366,27.66539242,3.952198918,13.86830856,0.249265579,0.085540504,0.012220072,-1.721135703,24.69828912,3.528327017,2.244713782,28.99853991,14.29977272,21.9928658,28.71354386,4.101934837,14.29977444,-0.398994478,0.078871397,0.011267342,-1.777955647,24.32998684,3.475712405,2.234196731,27.4891207,13.86880775,21.5272898,27.66661698,3.952373855,13.86881072,0.2484948,0.085533291,0.012219042,-1.721194723,24.69785412,3.528264874,2.244701453,30.62447259,14.77108916,22.52047569,29.85140526,4.264486466,14.77109019,-1.082294264,0.069702629,0.009957518,-1.864462074,23.98413427,3.426304896,2.224174778,27.66294742,13.9180408,21.57991547,27.78661469,3.969516385,13.91804358,0.173134186,0.08482144,0.012117349,-1.727044858,24.65522167,3.522174524,2.243492097,30.17598369,15.14660012,23.93961865,30.45795648,4.351136641,15.14660107,0.657936508,0.114437046,0.016348149,-1.517411296,24.11620302,3.44517186,2.228018757,0,11.89,15.99491614,-0.299200604,0.132424371,4.272433469,6.859887239,6,18,17,17,5,1,1,0,0,1,14.076484,3.552797882,3.073182212,2.634436484,2.061380182,1.563354361,1.332142786,0.083923071,0.083923071,1.848875044,1.640660305,1.247427004,0.890521635,0.653269005,0.184896588,0.083923071,0.083923071,3.512992966,3.103114292,2.610676125,2.049038151,1.57640057,1.371380742,0.270913902,0.270913902,1.815919534,1.563918152,1.178810588,0.794827926,0.518467226,0.282290808,0.270913902,0.270913902,3.655508927,3.286141865,2.869432722,2.388483546,2.001760761,1.840856881,0.943918427,0.943918427,1.630123691,1.313041256,0.856950664,0.38590828,0.029405492,0.223499597,0.943918427,0.943918427,3.51462953,3.130191438,2.628716748,2.077786481,1.626432076,1.39853323,0.399277246,0.399277246,1.798655728,1.514518227,1.13831518,0.737668312,0.435656713,0.274849596,0.399277246,0.399277246,3.691352406,3.367907184,2.951413312,2.501490054,2.152726213,1.979165308,1.207644823,1.207644823,1.590218511,1.23533567,0.770989321,0.268102159,0.13145659,0.336744782,1.207644823,1.207644823,4.842056784,3.306799281,3.144220305,2.506434726,1.985682882,1.652053613,0.590163934,0.590163934,1.690155655,1.407726702,0.925939843,0.527736147,0.278624039,0.474902009,0.590163934,0.590163934,0,0,0,1,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.102062073,0,0,0,0.49279928,0.40824829,0.204124145,0.174230856,0.144337567,0.072168784,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.029568634,2.825444489,1.642228525,0.923176335,0.455615463,0.176776695,0,0,0.718509805,0.470907415,0.273704754,0.184635267,0.151871821,0.176776695,0,0,9.965765927,18.6576839,17.70196078,17.96,11.27156647,146.3240515,0.524513996,0.981983363,0.931682147,0.945263158,0.59324034,7.701265868,1.7656,30.206,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,2,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41180556,0.377314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.680208333,0.802777778,0,0,0,0,0,0,0,0,0,0,3.922175926,0,2.45537037,0,0,0,0,0,0,0.377314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41180556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41180556,0.377314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.265625,0.401388889,0,0,0,0,0,0,0,0,0,0,1.900787037,0,0.702222222,0,0,0,0,0,0,0.377314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41180556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41180556,0.377314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.021388889,0,0.992731481,0,0,0,0,0,0,0.377314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41180556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.16666667,2.452380952,0.515972222,10.41180556,0.265625,0.377314815,2.82466713,1.289351852,3.411805556,6.866388889,1.289351852,3.411805556,6.866388889,3.33333,0.47619,0,0.02381,0.48772,0.80952,0.42174,0.48772,0.80952,0.06598,0,-0.06598,0,0.58823,0.12606,0,0.4,0.15,0,4.75,0.67857,3.25,0.46429,1.5,0.21429,-1.75,-0.25,0,0,5.23233,0.74748,7.07892,1.84659,0.2638,2.61989,0.37427,3.30805,0.68816,0.09831,0.10595,0.01514,0.10595,0.01514,0,6.01,1,1,1,1,0,0,0.833333333,1.167436723,1.773214355,2.905307776,3.326360408,2.925853015,2.200441883,22.18129774,33.69107275,55.20084775,63.20084775,55.59120728,41.80839577,0.27482501,0.417430464,0.683935347,0.783054889,0.688771879,0.518003633,3.08049079,2.474713158,1.342619737,0.921567105,1.322074499,2.047485631,0.27482501,0.417430464,0.683935347,0.783054889,0.688771879,0.518003633,10.29981851,17.56915009,21.02424428,20.29152061,18.29407895,13.08456674,25.71846446,17.70137014,15.5649527,15.83118111,18.54454299,15.65423121,7,4.166666667,3.84,7,1,6,2.01,0.9697,0.2,2.803965796,0.816496581,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,3.388,6,5,3,1,0,0,0,0,0,28,2.079441542,2.197224577,2.079441542,1.609437912,0.693147181,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,17.07,118.4861345,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,100.088815,5.267832369,12.66537523,1.809339318,2.41660592,2.41660592,0,50,5,1.26,24,1.230611111,2.12189994,2.880388876,3.638556339,4.944601944,5.832757812,7.019466268,0,0,0,82.68712511,85.97766925,87.23558191,103.5031061,75.32865678,30.45831128,7.132226974,0,0,0,283.9634567,322.0517162,343.7194258,445.9651869,468.2136159,366.332875,218.1912955,0,0,0,9.132995542,15.45196097,21.32465015,27.13493355,35.90462506,40.0700794,47.16003142,0,0,0,2.091655824,2.567775733,2.805141245,3.691374765,4.322651002,4.072905854,3.120945288,0,0,0,177.3517926,332.8265365,478.8383605,595.5631062,829.8998588,1008.253377,1298.023221,0,0,0,3.198671296,4.78747594,7.497275674,9.958243522,10.72678844,8.044623556,7.019466268,0,0,0,0.447387083,0.572627928,0.654854397,0.857762291,0.98621137,0.901627126,0.718793346,0,0,0,364.0888265,171.7879773,11.41274683,173.0562267,-81.65309389,-17.70920943,191.0325998,253.4410712,29.12195627,0.677822172,0.319816735,0.021247048,0.322177828,-0.152013117,-0.032969138,195.568512,92.27506218,6.130300504,92.95629607,-43.85955546,-9.512414242,0.280521558,0.634088111,4.975621931,20.49595426,504.8215418,32.32351138,0.939823496,0.060176504,444.2955983,21.07832058,7.630576257,560.5400313,23.67572663,8.245219299,716.0496234,26.75910356,8.946387537,2.051616202,2.051616202,472.2471986,426.1042902,62.87230463,1.108290176,7.511211834,6.777297138,3.824880792,4.434143809,7.611354189,0.716533003,3.360021677,4.829738104,2.840848094,8.322200176,5.643179162,0.57458248,1.53277652,7.631682543,6.378359806,3.20459009,2.249305966,0.825453048,1.226700503,1.154038266,5.51E-07,1.01E-34,3.58E-84,2.45E-155,3.23E-248,0,0,0,0,0,0,0,0,0,0,0,0.298477101,4.829556012,0.23266514,4.313567138,0.243860419,0.059312654,0.432791131,0.420986938,1.229269215,0.115278012,0.074083622,0.007885354,0.080549646,0.008127986,3.88E-09,7.13E-37,2.52E-86,1.72E-157,2.27E-250,0,0,0,0,0,0,0,0,0,0,0,0.916142542,4.829450735,0.606746408,4.256783087,0.690731708,0.105695574,0.62991875,1.39556423,1.817088273,0.473383103,0.311449496,0.062899548,0.274783302,0.084699879,4.04E-08,7.43E-36,2.63E-85,1.80E-156,2.37E-249,0,0,0,0,0,0,0,0,0,0,0,3.176697216,4.829776581,2.969031818,8.424163466,5.656215787,0.703989351,1.480890722,7.265068465,5.899299643,2.919066907,2.04303683,0.735826663,1.142482289,1.028227318,4.91E-07,9.02E-35,3.19E-84,2.18E-155,2.87E-248,0,0,0,0,0,0,0,0,0,0,0,1.34265012,4.829425913,0.823363613,4.423129508,1.046168982,0.108912052,0.774672901,2.148664104,2.358138291,0.800118755,0.535750425,0.13388123,0.419912358,0.183979456,8.79E-08,1.61E-35,5.71E-85,3.90E-156,5.14E-249,0,0,0,0,0,0,0,0,0,0,0,4.057735794,4.829893228,3.791514597,10.32571321,8.136633294,0.83880283,1.796333099,10.18175686,8.338308425,4.371206282,3.096031362,1.202234192,1.55447727,1.683056353,8.04E-07,1.48E-34,5.23E-84,3.57E-155,4.71E-248,0,0,0,0,0,0,0,0,0,0,0,2.093622362,4.453679391,3.374887781,9.434040521,5.515992995,1.299404945,1.154666893,4.909261087,3.562264838,1.326596441,1.040242822,0.290493606,0.753028962,0.401943992,1.92E-07,3.52E-35,1.25E-84,8.53E-156,1.12E-248,0,0,0,0,0,0,0,0,0,0,0,5.921006262,0.80079261,0.436829068,0.827114681,0.11186398,0.58713498,0.53502877,0.526296249,7.15862794,7.677775196,16.90762732,0.740672021,1.648459999,4.194386235,0.589845182,0.083527025,0.861666881,0.121173881,0.294229379,0.290170423,0.019242489,4.867758442,2.873651129,7.948058647,0.792500322,0.603642291,5.063011788,0.589415744,0.225624232,0.861341817,0.100273997,0.429142228,0.290266047,0.140403746,5.878051764,4.259543479,10.81090733,0.792012726,0.859812021,5.78491394,0.817198689,0.419896123,0.823826079,0.116376769,0.560231457,0.558009584,0.486285078,7.022008752,7.499625585,16.50666138,0.735739119,1.604526119,5.430892232,0.613151424,0.294005474,0.856871274,0.096741349,0.494113368,0.313257034,0.238406475,6.338049129,5.106941224,12.42401662,0.785306911,1.045776877,6.001694314,0.836294729,0.461872524,0.822165497,0.114563094,0.603199104,0.583700848,0.588371286,7.299861568,8.177464583,17.79554994,0.733248246,1.775271237,5.789961752,0.82136554,0.419380696,0.823524709,0.116825438,0.561152136,0.563907722,0.48509197,7.030707988,7.528338104,16.55348441,0.735287064,1.610151829 +UMLS0118,L,3-hexanone,CCCC(=O)CC,11509,,UML,[11],C6H12O,PubChem,,8.4,0,0.532,0.283024,36.4788,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1483.122152,1322.777238,1077.763517,629.730194,178.815168,18.289152,0,3947.642614,5029.877407,6806.459662,7324.378233,6375.170056,4638.363184,2402.602963,559.5073998,0,181.25648,180.900988,339.441056,442.565592,498.218036,374.819528,307.120896,120.932352,0,30.31423229,39.56609758,57.48793273,66.15786616,61.12578116,46.08988759,28.03475758,8.003032287,0,4342.872585,3643.766351,7584.388218,10156.44855,12196.78175,9042.633905,7939.753089,3328.517736,0,42.05555556,49.66666667,75.69444444,98.66666667,100.3333333,81,57,18,0,45.09238923,49.11105724,30.89837817,20.9964641,14.96893774,11.66167026,3.9736704,1.016064,0,151.8324082,201.1950963,141.801243,116.259972,88.54402856,85.89561452,53.39117695,31.08374443,0,6.971403077,7.23603952,7.071688667,7.024850667,6.919694944,6.94110237,6.8249088,6.718464,0,1.165932011,1.582643903,1.197665265,1.05012486,0.848969183,0.853516437,0.622994613,0.444612905,0,167.033561,145.7506541,158.0080879,161.213469,169.3997466,167.4561834,176.4389575,184.917652,0,1.617521368,1.986666667,1.576967593,1.566137566,1.393518519,1.5,1.266666667,1,0,0.036019739,-0.006995104,-0.002153772,-0.016225517,0.008513475,-0.012088906,0.00138496,0.009554995,0,670.5194345,-58.02572029,-45.8474827,-339.5579187,89.54586464,-256.4593563,68.77122405,206.3136721,0,1246.859521,-107.9013047,-85.25535183,-631.4224495,166.5143591,-476.8971243,127.8830278,383.6490833,0,0.131350154,-0.01136684,-0.008981207,-0.066517065,0.01754142,-0.050238627,0.013471811,0.040415432,0,5.574042193,-0.482369036,-0.38113109,-2.822752136,0.74439666,-2.131952035,0.571696635,1.715089906,0,30.27828566,-2.620236259,-2.070310131,-15.3332344,4.043574474,-11.58079729,3.105465196,9.316395587,0,3.487179487,-1.752629849,0.743754109,-1.533037475,1.304733728,-0.883629191,-0.477810651,0.855029586,0,0.001385375,-2.80E-04,-4.49E-05,-2.58E-04,1.18E-04,-2.24E-04,3.08E-05,5.31E-04,0,25.78920902,-2.321028812,-0.95515589,-5.389808234,1.243692565,-4.74924734,1.528249423,11.46187067,0,47.95613541,-4.316052187,-1.776153163,-10.02257856,2.312699431,-8.831428228,2.841845061,21.31383796,0,0.005051929,-4.55E-04,-1.87E-04,-0.001055826,2.44E-04,-9.30E-04,2.99E-04,0.002245302,0,0.214386238,-0.019294761,-0.007940231,-0.044805589,0.010338843,-0.039480593,0.01270437,0.095282773,0,1.164549448,-0.10480945,-0.043131461,-0.243384673,0.056160757,-0.214459209,0.069010338,0.517577533,0,0.134122288,-0.070105194,0.015494877,-0.024333928,0.018121302,-0.016363504,-0.010618014,0.047501644,0,-0.201970052,-0.032388529,-0.185904881,0.08535071,-0.161594291,0.022215568,0.383169348,0,-0.09,-0.037037037,-0.208994709,0.048225309,-0.184156379,0.059259259,0.444444444,0,-0.09,-0.037037037,-0.208994709,0.048225309,-0.184156379,0.059259259,0.444444444,0,-0.09,-0.037037037,-0.208994709,0.048225309,-0.184156379,0.059259259,0.444444444,0,-0.09,-0.037037037,-0.208994709,0.048225309,-0.184156379,0.059259259,0.444444444,0,-0.09,-0.037037037,-0.208994709,0.048225309,-0.184156379,0.059259259,0.444444444,0,-0.522696078,0.115527982,-0.181430906,0.135110294,-0.122004357,-0.079166667,0.354166667,0,1.736836292,1.097051805,1.26310628,0.77917945,1.144207119,0.699032655,1.87E-05,0,1.625,1.222511574,1.28968254,0.815007716,1.086676955,0.601851852,0,0,1.625,1.222511574,1.28968254,0.815007716,1.086676955,0.601851852,0,0,1.625,1.222511574,1.28968254,0.815007716,1.086676955,0.601851852,0,0,1.625,1.222511574,1.28968254,0.815007716,1.086676955,0.601851852,0,0,1.625,1.222511574,1.28968254,0.815007716,1.086676955,0.601851852,0,0,2.134803922,0.717741524,1.204335901,0.705295139,1.250170207,0.955882353,0,0,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,47.89266769,23.81786162,36.90702939,47.69995936,5.96249492,23.81786163,-0.256944444,0.002779983,3.47E-04,-4.708248382,27.87218818,3.484023522,2.662103482,0,11.89,12.11011416,-0.164612092,0.056117657,5.441366761,8.27075799,7,25,25,25,7,0,0,0,0,0,19.677726,3.553387335,3.186361378,2.70465292,2.333552793,2.211476357,1.741961771,1.115201586,0.882379902,1.941354195,1.711809299,1.439357507,1.249629723,1.113400739,0.837005275,0.424899233,0.340133507,3.579223546,3.222241282,2.758533368,2.405454588,2.280960637,1.830507057,1.226270859,1.013471333,1.883956111,1.636692126,1.341388541,1.134540686,0.998783506,0.703877645,0.272406879,0.17770596,3.693390468,3.379997685,2.989220212,2.704236987,2.572763368,2.194586449,1.673112861,1.523992969,1.716289813,1.411364586,1.033791891,0.76031856,0.627978952,0.262023828,0.24590054,0.385913507,3.598287441,3.248695134,2.797945256,2.457539916,2.331494498,1.894476573,1.305958274,1.106400464,1.847506818,1.588430577,1.27729714,1.058262671,0.922937886,0.614951603,0.169673593,0.067519302,3.749315809,3.456381668,3.096993741,2.838982085,2.705612122,2.356081623,1.866169565,1.737742468,1.66437737,1.340097469,0.931889276,0.631337262,0.501173825,0.106465709,0.433539355,0.595681058,3.568361912,3.296195697,2.922472865,2.634654398,2.421479144,1.98003123,1.372769736,1.203799381,1.864903225,1.526265241,1.141956104,0.878556837,0.805262811,0.496493089,0.063443241,0.060043016,0,0,0,0,0,4,2,2,0,0,0,0,0,0,0,0,0,0,0,0.696923425,0,0,0,0.696923425,0,0,0,0.691044062,0.902368927,0.666666667,0.691044062,0.902368927,0.666666667,6.568914101,3.66390246,3.142969116,1.570696873,0.971404521,0.333333333,0,0,0.821114263,0.523414637,0.39287114,0.261782812,0.194280904,0.166666667,0,0,6.568914101,3.66390246,3.142969116,1.570696873,0.971404521,0.333333333,0,0,0.821114263,0.523414637,0.39287114,0.261782812,0.194280904,0.166666667,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.144212963,0,2.716944444,0,0,0,1.805509259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.256990741,0,1.331527778,0,0,0,0.879583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.319444444,0,1.385416667,0,0,0,0.925925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.708333333,0.2,2.319444444,0.2,0.879583333,6.027208657,0.45375,0.319444444,2.288425926,0.45375,0.319444444,2.288425926,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0.25,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.9638,1.12047,8.9638,0,0,3.66389,0.45799,3.66389,0,0,0.25011,0.03126,0.25011,0.03126,0,7,0,0,0,0,0,0,1,0.89049164,1.352030102,2.478345968,2.929705102,2.825251737,2.694448682,23.15278265,35.15278265,64.43699516,76.17233265,73.45654517,70.05566573,0.189448582,0.287639068,0.527258324,0.623283199,0.601061157,0.573233324,3.809948078,3.348409616,2.22209375,1.770734616,1.875187981,2.005991036,0.191756937,0.291143835,0.533682756,0.630877655,0.608384847,0.580217942,6.648700044,12.18716158,16.3853503,15.14913749,15.8894187,12.94782648,31.72521615,23.41346491,20.30332596,21.73364995,21.21916191,16.67704054,8,3.9375,5,8,0,6,2.34,1.2358,1.639769145,3.486742171,4.085857991,0,0.5,3.039342743,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,3.31,8,6,5,2,0,0,0,0,0,36,2.079441542,2.197224577,1.945910149,1.791759469,1.098612289,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,2.5,0.666666667,0.5,0.16,0,0,0,0,0,0,0.357142857,0.083333333,0.083333333,0.032,0,0,0,0,0,0,0.555809524,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,0,146.9243357,4,3.433987204,4.077537444,4.828313737,5.493061443,6.248042875,6.918695219,7.673688129,8.34640487,9.100860271,71.12059119,2.708050201,0,3.850147602,0,5.141663557,0,6.49677499,0,7.884199934,8.176110342,114.1408506,4.390032714,14.49663423,1.812079278,0,0,0,71,6,4.77,30,1.2278,2.116942009,2.891979167,3.494712307,4.279870039,5.192078801,6.36847156,0,0,0,71.2221278,74.49919381,67.46777057,62.0205237,59.75691026,23.19912597,6.470774688,0,0,0,272.5498825,326.3003669,355.4863844,338.636966,404.6633866,296.576416,197.9559424,0,0,0,8.919363223,15.03016952,20.35936831,24.25446154,29.82692731,35.52786968,42.78634691,0,0,0,2.081648384,2.695254639,3.154509661,3.149615746,3.906191255,3.38949137,2.83150464,0,0,0,176.77647,330.1832551,463.0874653,586.7295869,707.5373598,908.7245649,1177.642808,0,0,0,2.48996,3.463478713,4.617416705,5.011250482,6.693614991,6.808128105,6.36847156,0,0,0,0.4321989,0.568411947,0.673422292,0.679336469,0.845637409,0.754037253,0.652131488,0,0,0,388.7507542,172.1208008,9.346623055,138.6256556,-61.37700981,-8.276979589,250.1250986,233.4978106,17.62360264,0.737140962,0.326371824,0.017722869,0.262859038,-0.116381789,-0.015694634,205.0179771,90.77244997,4.929188511,73.10790058,-32.36878708,-4.36508378,0.066929334,0.146665375,0.67367935,8.357720016,527.3764099,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,748.7931004,27.36408413,9.080726832,1.797339331,1.797339331,542.0062692,526.9427783,126.043483,1.028586578,4.300153061,4.180642789,4.263641753,4.466158665,7.63628977,0.709811572,5.020209962,6.63971282,3.013538183,25.69200968,8.457113311,14.04206848,7.849651337,14.86089924,6.849924351,4.272270483,4.174760574,0.410757475,1.952300582,1.267677768,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327158,0.183344552,8.704174269,1.547136754,1.532895559,0.569539559,0.6875567,2.11321181,0.110147845,0.079120347,0.010595825,0.130750194,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639353638,0.637694172,11.00384553,2.023561827,3.137561585,1.599667013,2.507837792,2.743035391,0.519018754,0.433477155,0.037402441,0.443883397,0.093040376,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639670728,2.796637467,24.23885937,7.703654094,12.94063916,7.2426863,13.61369616,6.440712464,3.86156076,3.753636359,0.366846941,1.820026094,1.129478069,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.639387327,0.986217072,12.92927386,2.627951026,4.52080996,2.442182938,4.075940309,3.275463816,0.930550863,0.819744052,0.072097839,0.676264037,0.202096129,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.63988965,3.866171904,31.54149155,11.62201824,18.50124443,10.28009305,19.90964868,8.50043274,5.969965045,5.927461372,0.595380337,2.465625438,1.848788887,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.121827968,5.525099581,1.376101611,16.0368581,4.000028482,7.893983157,3.689071735,6.799999798,4.388511245,1.723789654,1.650701333,0.148861965,1.190429513,0.434373822,1.23E-06,2.74E-33,1.17E-81,9.71E-152,1.55E-243,0,0,0,0,0,0,0,0,0,0,0,4.954600449,1.111401696,0.963886788,0.704790715,0.158096622,0.525495677,0.460110478,0.483944379,7.029888933,11.35349067,23.69107169,0.557186073,1.469550534,4.130389097,0.618961639,0.486065225,0.788932365,0.118225876,0.365247722,0.143333672,0.124326241,5.235415961,4.865046639,11.34311382,0.683398548,0.632907635,4.469912605,0.821990887,0.683121971,0.74809934,0.13757111,0.427706881,0.252405025,0.244644254,5.975025464,7.289242974,15.77421392,0.62214901,0.924756161,4.9353815,1.099934271,0.95276527,0.70625705,0.157401476,0.521424681,0.450721232,0.472971255,6.98808104,11.17883451,23.33909257,0.559385575,1.445117169,4.615952375,0.909240888,0.76778312,0.733508612,0.144485031,0.45610249,0.308588145,0.308478525,6.292976383,8.439162759,17.9545346,0.600262919,1.073169161,5.014404814,1.147081284,0.998488274,0.700338375,0.160207457,0.538265858,0.489932733,0.518863821,7.159974371,11.90410153,24.80731047,0.550507562,1.547062411,4.950534442,1.102066604,0.955725475,0.706378966,0.157251036,0.524641684,0.452333393,0.475496612,7.008326521,11.24044369,23.46303511,0.559568449,1.452471688 +UMLS0119,L,"2,4-Dimethylhexane",CCC(C)CC(C)C,11511,Opting for Sandia/UML values,"Sandia, UML",[1],C8H18,PubChem,,-4.7,0,0.1712,0.02930944,35.0595,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1362.056143,1256.231094,1068.618941,629.730194,299.881177,84.835296,9.144576,3947.642614,5029.877407,6581.332248,6822.461001,6095.416356,4638.363184,2627.730376,1061.424631,279.7536999,181.25648,180.900988,339.41734,440.170584,437.75186,374.819528,307.144612,123.32736,60.466176,30.31423229,39.56609758,56.48150844,62.14427773,57.12426502,46.08988759,29.04118186,12.01662072,4.001516144,4342.872585,3643.766351,7578.921305,10347.21917,10532.52289,9042.633905,7945.220002,3137.747111,1664.258868,40.77777778,48.5,74.58333333,91.16666667,89.25,79,55,24,9,45.09238923,49.11105724,28.37616965,19.9401761,16.96220541,11.66167026,6.664026156,4.713072,1.016064,151.8324082,201.1950963,137.1110885,108.2930318,96.75264057,85.89561452,58.39400836,58.96803508,31.08374443,6.971403077,7.23603952,7.071194583,6.986834667,6.948442222,6.94110237,6.825435822,6.85152,6.718464,1.165932011,1.582643903,1.176698093,0.986417107,0.906734365,0.853516437,0.645359597,0.66759004,0.444612905,167.033561,145.7506541,157.8941939,164.2415742,167.1829029,167.4561834,176.5604445,174.3192839,184.917652,1.568376068,1.94,1.553819444,1.447089947,1.416666667,1.462962963,1.222222222,1.333333333,1,0.03670553,-0.005844745,-0.010337872,-0.004584745,0.003186368,-0.013158062,0.009424713,-0.001765302,0.004726879,670.5194345,-58.02572029,-166.9134917,-116.0514406,-13.61097143,-256.4593563,189.837233,-17.19280601,103.1568361,1246.859521,-107.9013047,-310.3827653,-215.8026093,-25.31018258,-476.8971243,353.0104412,-31.97075694,191.8245416,0.131350154,-0.01136684,-0.032697207,-0.02273368,-0.002666296,-0.050238627,0.037187811,-0.003367953,0.020207716,5.574042193,-0.482369036,-1.387555375,-0.964738072,-0.113148292,-2.131952035,1.57812092,-0.142924159,0.857544953,30.27828566,-2.620236259,-7.537222819,-5.240472518,-0.61462332,-11.58079729,8.572377884,-0.776366299,4.658197794,3.017094017,-1.157462196,-0.320019724,-0.515779093,1.182938856,-1.650887574,1.047337278,-0.473372781,0.378698225,0.001411751,-2.34E-04,-2.15E-04,-7.28E-05,5.06E-05,-2.44E-04,2.09E-04,-9.81E-05,5.25E-04,25.78920902,-2.321028812,-3.47736441,-1.842086358,-0.216047165,-4.74924734,4.218605179,-0.95515589,11.46187067,47.95613541,-4.316052187,-6.46630761,-3.425438243,-0.40174893,-8.831428228,7.844676471,-1.776153163,21.31383796,0.005051929,-4.55E-04,-6.81E-04,-3.61E-04,-4.23E-05,-9.30E-04,8.26E-04,-1.87E-04,0.002245302,0.214386238,-0.019294761,-0.028907404,-0.015313303,-0.001796005,-0.039480593,0.035069354,-0.007940231,0.095282773,1.164549448,-0.10480945,-0.157025475,-0.083182103,-0.009755926,-0.214459209,0.190497286,-0.043131461,0.517577533,0.116042078,-0.046298488,-0.006667078,-0.00818697,0.018776807,-0.030571992,0.023274162,-0.026298488,0.042077581,-0.165602689,-0.152556872,-0.051548554,0.035825916,-0.172599686,0.148353387,-0.069468584,0.37202649,-0.09,-0.134837963,-0.071428571,-0.008377425,-0.184156379,0.163580247,-0.037037037,0.444444444,-0.09,-0.134837963,-0.071428571,-0.008377425,-0.184156379,0.163580247,-0.037037037,0.444444444,-0.09,-0.134837963,-0.071428571,-0.008377425,-0.184156379,0.163580247,-0.037037037,0.444444444,-0.09,-0.134837963,-0.071428571,-0.008377425,-0.184156379,0.163580247,-0.037037037,0.444444444,-0.09,-0.134837963,-0.071428571,-0.008377425,-0.184156379,0.163580247,-0.037037037,0.444444444,-0.39898017,-0.057453966,-0.070551733,0.161810333,-0.263456091,0.200566572,-0.226628895,0.362606232,1.70099103,1.247361376,1.02229393,0.886345971,1.15762637,0.532267913,0.882982468,0,1.625,1.316550926,1.07473545,0.93143739,1.086676955,0.50154321,0.752314815,0,1.625,1.316550926,1.07473545,0.93143739,1.086676955,0.50154321,0.752314815,0,1.625,1.316550926,1.07473545,0.93143739,1.086676955,0.50154321,0.752314815,0,1.625,1.316550926,1.07473545,0.93143739,1.086676955,0.50154321,0.752314815,0,1.625,1.316550926,1.07473545,0.93143739,1.086676955,0.50154321,0.752314815,0,2.007082153,0.93506551,0.942600836,0.70147039,1.457743154,0.506373938,1.38101983,0,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,47.5484976,23.67702658,36.65055625,47.40266426,5.925333033,23.67702658,-0.194444444,5.00E-16,6.25E-17,-28.18617854,3000010.303,375001.2878,11.93130102,0,11.89,12.11011416,-0.170392061,0.049945123,5.23605134,8.270754938,7,25,25,25,7,0,0,0,0,0,19.677726,3.534483928,3.158726067,2.863458865,2.258207362,2.18392002,1.531119992,1.33214981,0.922347198,1.9340824,1.708882991,1.522833628,1.165465255,1.091617933,0.708131295,0.62252576,0.359489416,3.561317793,3.197240258,2.910543171,2.328648091,2.253323613,1.627937686,1.442861713,1.051068945,1.875412277,1.631733601,1.432672492,1.050742388,0.975709625,0.567377651,0.473240653,0.198741368,3.679518946,3.364701014,3.114259642,2.623190037,2.546003084,2.023129484,1.884943921,1.553301492,1.703151529,1.397661851,1.154054021,0.67873749,0.601565151,0.095763495,0.035334264,0.357899068,3.581098334,3.225530555,2.945094684,2.379795041,2.303876515,1.697729238,1.522049418,1.142372637,1.838077868,1.581957035,1.374050783,0.974769584,0.899064477,0.473031062,0.37260324,0.089774408,3.737189767,3.444790866,3.210733213,2.756758609,2.679762813,2.196769962,2.074844725,1.764063352,1.64954002,1.322620074,1.063286486,0.551092445,0.474040332,0.072053907,0.220196471,0.564574256,3.563125416,3.285915969,3.063705325,2.52190925,2.401877879,1.792072835,1.627016104,1.251665728,1.840779565,1.509387149,1.244209841,0.814098537,0.769985066,0.34329841,0.235437737,0.049907801,0,0,0,0,0,3,4,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.40824829,0.552585858,0.288675135,0.40824829,0.552585858,0.288675135,6.405777394,3.808060412,2.682521985,1.562948829,1.129936127,0.288675135,0.144337567,0,0.800722174,0.54400863,0.383217426,0.260491471,0.225987225,0.144337567,0.144337567,0,6.405777394,3.808060412,2.682521985,1.562948829,1.129936127,0.288675135,0.144337567,0,0.800722174,0.54400863,0.383217426,0.260491471,0.225987225,0.144337567,0.144337567,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,61,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,6.8525,0,5.51787037,0,0,0,0.962962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.256111111,0,1.34837963,0,0,0,0.962962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.340277778,0,1.410555556,0,0,0,0.962962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.666666667,0.2,2.340277778,0.2,0.962962963,6.029152778,0.37037037,0.340277778,1.705,0.37037037,0.340277778,1.705,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.375,0.125,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.49821,1.06228,8.49821,0,0,3.80805,0.47601,3.80805,0,0,0.10595,0.01324,0.10595,0.01324,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.449311833,2.997952699,2.950063756,2.894089633,23.15278265,34.39789514,63.68210766,77.94677017,76.70165767,75.24633045,0.189448582,0.281462171,0.521081426,0.637802605,0.627614422,0.615706148,3.809948078,3.377443751,2.251127885,1.702487019,1.750375962,1.806350086,0.191756937,0.284891675,0.527430595,0.645573975,0.635261652,0.623208281,6.648700044,11.83875197,15.82968534,15.53706742,16.33435566,14.29071062,31.72521615,24.13720728,21.55143116,21.17512302,20.33135472,18.84404937,8,5.142857143,5,8,0,7,2.34,1.2358,0.655185349,4.813703899,1.44224957,0,2.941682753,2.828427125,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.538,7,6,5,2,1,0,0,0,0,36,2.079441542,2.079441542,1.945910149,1.791759469,1.098612289,0.693147181,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,7,1,0,3,6,1,1.5,0.666666667,0.375,0.08,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.0625,0.016,0.027777778,0,0,0,0,0,0.415801587,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,0,146.9243357,4,3.36729583,4.007333185,4.709530201,5.370638028,6.084499413,6.751101469,7.467942332,8.135932772,8.853522561,69.74779579,2.708050201,0,3.761200116,0,4.990432587,0,6.304448802,0,7.656810091,7.96241568,114.1408506,4.390032714,14.6584741,1.832309262,0,0,0,75,6,4.831,28,1.2278,2.11761443,2.868995454,3.539278481,4.498648379,5.533468565,7.18179224,8.149714457,0,0,71.2221278,68.08752346,66.16278356,74.38123794,64.34094545,45.61131578,36.17614296,8.28063147,0,0,272.5498825,313.605011,335.0969615,386.8582916,430.6343555,359.5416045,441.0536558,253.3236414,0,0,8.919363223,15.02844115,20.09578731,24.70704828,31.36729715,37.89712103,49.28997252,54.75356319,0,0,2.081648384,2.634998592,2.975411712,3.490821247,4.140921601,3.828307983,4.934891604,3.623468219,0,0,176.77647,330.4239685,467.6398063,583.2624786,742.5233106,967.0484853,1245.251567,1507.026062,0,0,2.440753333,3.391076992,4.246726094,5.232301433,6.862767084,7.050261747,9.785607939,8.149714457,0,0,0.4321989,0.557170835,0.636008304,0.748529724,0.895874319,0.844370063,1.093700566,0.83453076,0,0,413.1513735,185.0067345,10.05125475,142.7768776,-63.93463895,-8.686500947,270.3744958,248.9413735,18.7377557,0.743173913,0.33278887,0.018080129,0.256826087,-0.115005199,-0.015625219,229.6825205,102.8504704,5.587776474,79.37369988,-35.54307202,-4.829071279,0.066175841,0.145510949,0.944244624,9.472574837,555.9282511,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,713.4812626,26.71107004,8.93567828,1.910406936,1.910406936,723.9846179,671.6417839,93.29786241,1.077932665,7.759927175,7.198897879,4.431211399,4.466158665,8.836778877,0.978608361,5.020209962,6.639728116,2.866163207,24.32112914,9.403257044,6.009815998,7.079127333,9.442500637,11.10889945,3.728602491,3.632504051,7.56102821,4.322884441,0.860264763,2.474850258,0.241081057,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.421311435,6.639327266,0.184339015,7.458642858,1.057465414,0.177347239,0.600382346,0.508825504,3.202275592,0.063405831,0.028442469,0.341267531,0.148779883,0.859561027,0.112752628,0.00169802,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.360044669,6.63935476,0.632099406,9.325651685,1.624157269,0.787877199,1.537158974,1.749009115,4.285247395,0.369090962,0.272629812,1.269832108,0.621296789,0.859696005,0.426540802,0.017694156,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,4.738668689,6.639684357,2.66672847,22.7316426,8.490149494,5.447571208,6.546064753,8.689210486,10.43703308,3.347694212,3.237997185,6.926186278,3.933091809,0.860218614,2.270681911,0.214798927,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,2.004455605,6.639389765,0.969063133,11.0749401,2.350731365,1.379201255,2.294741161,2.773570897,5.186320275,0.710309649,0.586186897,2.069126672,1.058348264,0.859791238,0.691937989,0.038433908,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,6.062630571,6.639911958,3.644610107,30.83891522,13.24073322,8.324527809,9.20773375,12.46592055,13.80978338,5.316659697,5.290600372,10.13053265,5.918549787,0.860439114,3.298422411,0.351593848,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,3.145998243,5.861721594,1.441187922,14.1479237,4.113308525,2.790803851,3.396508037,4.437458522,7.071024033,1.429440683,1.313090613,4.009919709,1.836415948,1.238209101,1.337303337,0.086789491,0.05015848,5.68E-20,1.24E-59,5.23E-121,4.25E-204,0.00E+00,0,0,0,0,0,0,0,0,6.6874255,1.148008599,0.587119941,0.793990216,0.13630172,0.505723297,0.426362491,0.42870124,8.42255404,12.27756159,25.20756575,0.690985324,1.360787028,5.704735851,0.637965703,0.179975959,0.874600322,0.097807335,0.368015513,0.131593489,0.040184237,6.522677513,4.780959611,11.95864628,0.811900483,0.53979324,6.109760955,0.848181415,0.347787747,0.836297106,0.116098104,0.422127343,0.232663842,0.150229542,7.305730116,7.60207279,16.71010359,0.754445659,0.805020728,6.664530653,1.136125257,0.57763453,0.79545233,0.13560347,0.502266469,0.417576575,0.414941744,8.37829044,12.07766981,24.82965965,0.693178495,1.334784788,6.283877301,0.938552701,0.4199268,0.822243382,0.122809328,0.446529792,0.284913233,0.219109969,7.642356802,8.930641932,19.04962202,0.733365073,0.950552993,6.758662913,1.184983741,0.616633767,0.78953756,0.138428145,0.51655506,0.454285498,0.472952483,8.560280422,12.90722643,26.40606852,0.684306339,1.44379304,6.687124622,1.140193908,0.578577182,0.795527907,0.135642167,0.505677791,0.420527754,0.416114854,8.405895712,12.15332665,24.9706528,0.69329186,1.342320399 +UMLS0120,L,4-Methylheptane,CCCC(C)CCC,11512,,"Sandia, UML",[1],C8H18,PubChem,,-12.3,0,-0.3724,0.13868176,33.5193,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1362.056143,1256.231094,947.552932,684.250059,357.282745,93.979872,9.144576,3947.642614,5029.877407,6581.332248,6822.461001,5870.288943,4361.573366,2849.893908,1341.178331,279.7536999,181.25648,180.900988,339.41734,440.170584,437.728144,372.448236,249.073444,183.793536,60.466176,30.31423229,39.56609758,56.48150844,62.14427773,56.11784073,43.08272344,29.05325415,16.01813686,4.001516144,4342.872585,3643.766351,7578.921305,10347.21917,10527.05597,9238.871444,6090.190508,4802.005979,1664.258868,40.77777778,48.5,74.5,91.91666667,89.58333333,72,52,33,9,45.09238923,49.11105724,28.37616965,19.9401761,15.04052273,12.67129739,9.924520694,3.480736,1.016064,151.8324082,201.1950963,137.1110885,108.2930318,93.17918957,80.76987715,79.16371966,49.67327153,31.08374443,6.971403077,7.23603952,7.071194583,6.986834667,6.948065778,6.897189556,6.918706778,6.807168,6.718464,1.165932011,1.582643903,1.176698093,0.986417107,0.890759377,0.797828212,0.807034838,0.593264328,0.444612905,167.033561,145.7506541,157.8941939,164.2415742,167.0961266,171.0902119,169.1719586,177.8520733,184.917652,1.568376068,1.94,1.552083333,1.458994709,1.421957672,1.333333333,1.444444444,1.222222222,1,0.036687857,-0.005850972,-0.010022378,-0.003618442,-0.00622156,0.006410055,-0.006826659,0.00305778,0.004728247,670.5194345,-58.02572029,-166.9134917,-116.0514406,-134.6769804,88.11313081,-136.8260812,85.96403006,103.1568361,1246.859521,-107.9013047,-310.3827653,-215.8026093,-250.437596,163.8501293,-254.4339406,159.8537847,191.8245416,0.131350154,-0.01136684,-0.032697207,-0.02273368,-0.026382296,0.017260757,-0.02680329,0.016839763,0.020207716,5.574042193,-0.482369036,-1.387555375,-0.964738072,-1.119572577,0.732486314,-1.137438097,0.714620794,0.857544953,30.27828566,-2.620236259,-7.537222819,-5.240472518,-6.081536008,3.978877282,-6.178581796,3.881831495,4.658197794,3.017094017,-1.157462196,-0.403353057,0.234220907,-0.893984221,0.990138067,-0.562130178,-0.094674556,0.378698225,0.001411071,-2.34E-04,-2.09E-04,-5.74E-05,-9.88E-05,1.19E-04,-1.90E-04,1.13E-04,5.25E-04,25.78920902,-2.321028812,-3.47736441,-1.842086358,-2.137729848,1.631724645,-3.800724477,3.183852965,11.46187067,47.95613541,-4.316052187,-6.46630761,-3.425438243,-3.975199937,3.034261654,-7.067609462,5.920510544,21.31383796,0.005051929,-4.55E-04,-6.81E-04,-3.61E-04,-4.19E-04,3.20E-04,-7.45E-04,6.24E-04,0.002245302,0.214386238,-0.019294761,-0.028907404,-0.015313303,-0.017770993,0.013564561,-0.031595503,0.026467437,0.095282773,1.164549448,-0.10480945,-0.157025475,-0.083182103,-0.096532318,0.073682913,-0.171627272,0.143771537,0.517577533,0.116042078,-0.046298488,-0.008403189,0.003717792,-0.014190226,0.01833589,-0.015614727,-0.003506465,0.042077581,-0.165858993,-0.147972343,-0.040703534,-0.069985771,0.084123825,-0.134386823,0.08025896,0.372313411,-0.09,-0.134837963,-0.071428571,-0.082892416,0.063271605,-0.147376543,0.12345679,0.444444444,-0.09,-0.134837963,-0.071428571,-0.082892416,0.063271605,-0.147376543,0.12345679,0.444444444,-0.09,-0.134837963,-0.071428571,-0.082892416,0.063271605,-0.147376543,0.12345679,0.444444444,-0.09,-0.134837963,-0.071428571,-0.082892416,0.063271605,-0.147376543,0.12345679,0.444444444,-0.09,-0.134837963,-0.071428571,-0.082892416,0.063271605,-0.147376543,0.12345679,0.444444444,-0.39898017,-0.072415014,0.032038311,-0.122285175,0.158010702,-0.134560907,-0.030217186,0.362606232,1.701005683,1.243712962,1.019979853,1.01173157,0.737966568,1.085044799,0.587666981,1.55E-08,1.625,1.316550926,1.07473545,1.00308642,0.752314815,1.00308642,0.50154321,0,1.625,1.316550926,1.07473545,1.00308642,0.752314815,1.00308642,0.50154321,0,1.625,1.316550926,1.07473545,1.00308642,0.752314815,1.00308642,0.50154321,0,1.625,1.316550926,1.07473545,1.00308642,0.752314815,1.00308642,0.50154321,0,1.625,1.316550926,1.07473545,1.00308642,0.752314815,1.00308642,0.50154321,0,2.007082153,0.949451133,0.843956563,1.096047484,0.639361032,1.323477337,0.920679887,0,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,47.96663102,23.88609329,37.51282513,47.82079768,5.97759971,23.88609329,-0.194444444,0.060698617,0.007587327,-2.241467498,35.64509479,4.455636849,2.858889235,0,11.89,12.11011416,-0.169148038,0.051292578,5.166289279,8.113568415,7,25,25,25,7,0,0,0,0,0,19.677726,3.529332072,3.195058212,2.755948403,2.493452742,1.932218273,1.680731392,1.269169757,0.928548971,1.932088946,1.726147067,1.463914318,1.297442762,0.942332832,0.805586637,0.584415686,0.361147009,3.556432943,3.231889696,2.807379492,2.553674276,2.012096203,1.772383688,1.382536173,1.056628289,1.873069446,1.651027204,1.368654208,1.192497264,0.817048643,0.669802562,0.432936305,0.200673912,3.675722176,3.39262472,3.028395679,2.809477666,2.343851464,2.147975038,1.834301705,1.55684911,1.699553822,1.424380432,1.071266037,0.858468533,0.405912101,0.217306605,0.084406134,0.354631252,3.576405821,3.258975059,2.845042021,2.597623259,2.069990728,1.838528324,1.463572979,1.147508447,1.835492375,1.602666577,1.306472481,1.123476362,0.733706474,0.578968445,0.33072767,0.091918289,3.733867456,3.469855466,3.132152305,2.927680647,2.492786237,2.313882392,2.02785299,1.76697975,1.645481618,1.352139987,0.973335194,0.746246752,0.263045205,0.057265899,0.272993978,0.560622017,3.561114388,3.312388402,2.974505452,2.720785426,2.176744083,1.938015646,1.568048103,1.255846921,1.836041573,1.536097577,1.168687512,0.97669752,0.597809945,0.445731481,0.193535411,0.047152599,0,0,0,0,0,3,4,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.49279928,0.348461713,0.288675135,0.49279928,0.348461713,0.288675135,6.405777394,3.808060412,2.655648531,1.747400241,0.756710003,0.49279928,0.144337567,0,0.800722174,0.54400863,0.379378362,0.291233373,0.189177501,0.164266427,0.144337567,0,6.405777394,3.808060412,2.655648531,1.747400241,0.756710003,0.49279928,0.144337567,0,0.800722174,0.54400863,0.379378362,0.291233373,0.189177501,0.164266427,0.144337567,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,63,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,6.845601852,0,5.534074074,0,0,0,0.953657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.252361111,0,1.347222222,0,0,0,0.953657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.329027778,0,1.423611111,0,0,0,0.953657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.666666667,0.2,2.329027778,0.2,0.953657407,6.030028102,0.379675926,0.329027778,1.691203704,0.379675926,0.329027778,1.691203704,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.375,0.125,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.4771,1.05964,8.4771,0,0,3.80805,0.47601,3.80805,0,0,0.10595,0.01324,0.10595,0.01324,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.52623491,3.228721929,2.99894622,2.586397325,23.15278265,34.39789514,65.68210766,83.94677017,77.97260171,67.24633045,0.189448582,0.281462171,0.537446507,0.686897849,0.638013973,0.550245824,3.809948078,3.377443751,2.174204808,1.471717789,1.701493498,2.114042393,0.191756937,0.284891675,0.543995078,0.695267424,0.645787918,0.556950349,6.648700044,11.83875197,16.75276226,16.61519435,14.89977214,13.66146233,31.72521615,24.13720728,20.30507436,19.405554,22.41087485,20.30924766,8,5.142857143,5,8,0,7,2.34,1.2358,0.66943295,4.653771984,1.5,0,3.14734519,2.555772417,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.538,7,6,4,3,1,0,0,0,0,36,2.079441542,2.079441542,1.945910149,1.609437912,1.386294361,0.693147181,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,7,1,0,3,6,1,1.5,0.666666667,0.25,0.16,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.041666667,0.04,0.018518519,0,0,0,0,0,0.409708995,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,0,146.9243357,4,3.36729583,4.007333185,4.691347882,5.361292166,6.052089169,6.72982407,7.422373701,8.102586425,8.795582217,69.52972465,2.708050201,0,3.761200116,0,4.990432587,0,6.289715571,0,7.623153068,7.934871566,114.1408506,4.390032714,14.66013744,1.832517181,0,0,0,76,6,4.831,28,1.2278,2.11761443,2.868995454,3.539523979,4.46758982,5.700746328,6.680694242,8.149714457,0,0,71.2221278,68.08752346,66.16278356,65.99938978,70.3185958,65.85283058,26.04066785,8.28063147,0,0,272.5498825,313.605011,335.0969615,370.6874305,408.7154135,487.6108124,352.8720999,253.3236414,0,0,8.919363223,15.02844115,20.09578731,24.70332923,30.95744607,39.56372487,45.57691037,54.75356319,0,0,2.081648384,2.634998592,2.975411712,3.415836306,3.883087002,4.852306451,4.131505603,3.623468219,0,0,176.77647,330.4239685,467.6398063,583.2325182,753.5137586,955.0537652,1180.185899,1507.026062,0,0,2.440753333,3.386759232,4.287736567,5.216119002,6.242004258,8.505067865,8.416571375,8.149714457,0,0,0.4321989,0.557170835,0.636008304,0.734620575,0.840366416,1.055921242,0.922959784,0.83453076,0,0,411.7576844,184.3877974,10.06620015,164.9796256,-73.87896065,-9.897244497,246.7780589,258.266758,19.96344464,0.713943207,0.31970846,0.0174537,0.286056793,-0.128098112,-0.017160749,237.4760193,106.3433222,5.805553194,95.14990545,-42.60875303,-5.708110167,0.066159019,0.145522232,1.031818969,9.66552143,576.73731,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,711.0423586,26.66537753,8.925485001,2.177133727,2.177133727,737.5840449,692.676222,87.22342175,1.064832344,8.45626129,7.941401611,4.41802835,4.466158665,8.836778877,0.978608361,5.020209962,6.63970304,2.819805568,27.05115841,9.814810798,5.557618818,6.176446412,11.52650365,9.906275282,2.965143202,3.453423711,7.897847759,4.730372909,0.860264837,2.474850258,0.241081057,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.421311435,6.639327089,0.184012514,7.480973735,1.060371448,0.171970881,0.648379071,0.51634133,3.133746187,0.100904141,0.074443128,0.343650662,0.151649858,0.859561027,0.112752628,0.00169802,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.360044669,6.63935292,0.628697017,9.533992743,1.654382069,0.749058106,1.610679945,1.923775497,4.015222215,0.422986663,0.380911383,1.294580719,0.651204137,0.859696011,0.426540802,0.017694156,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,4.738668689,6.639662015,2.625424649,25.16618618,8.856841594,5.043162687,5.779262996,10.55531418,9.314449379,2.696908065,3.11098247,7.226293925,4.296156698,0.86021868,2.270681911,0.214798927,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,2.004455605,6.639385768,0.961672691,11.51984881,2.416365392,1.300273767,2.320586526,3.139340803,4.769067789,0.722048607,0.705088196,2.12285718,1.12331102,0.85979125,0.691937989,0.038433908,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,6.062630571,6.639875388,3.577001848,34.81028503,13.84092147,7.672188774,7.713754367,15.45977856,12.29875627,4.063765066,4.875273201,10.6217168,6.512833422,0.860439222,3.298422411,0.351593848,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,3.145998243,5.861712567,1.424499169,15.26715871,4.439264277,2.615559503,3.508301107,5.447476416,6.181935189,1.340315023,1.469931102,4.13122571,1.983111796,1.238209127,1.337303337,0.086789491,0.05015848,5.68E-20,1.24E-59,5.23E-121,4.25E-204,0.00E+00,0,0,0,0,0,0,0,0,6.859036214,1.063208596,0.59753924,0.805071604,0.124792904,0.524217609,0.435615098,0.455994453,8.51978405,12.02643841,24.90382891,0.707607407,1.41582716,5.883112773,0.580735175,0.185302295,0.884791674,0.087339758,0.385594143,0.129739886,0.043768825,6.649150243,4.614296384,11.89653758,0.827187511,0.559102854,6.285341935,0.779591919,0.355216321,0.847063979,0.10506417,0.440152396,0.233982433,0.160981009,7.420150175,7.409581593,16.57029237,0.770595969,0.835115838,6.836298367,1.05196792,0.587935464,0.80652851,0.12410841,0.520745917,0.426437616,0.441439069,8.476201751,11.82935807,24.53373686,0.709792765,1.388622602,6.458259546,0.865078231,0.428257757,0.833152287,0.111600022,0.464716969,0.288198351,0.234068909,7.751595534,8.723175956,18.86740464,0.74972843,0.986984229,6.929785301,1.098183988,0.627421271,0.800632306,0.126878618,0.535093656,0.464797435,0.502795779,8.655390561,12.64709796,26.07727686,0.700948459,1.50268687,6.859568803,1.054489552,0.58909637,0.806708689,0.124011568,0.524302949,0.428368685,0.442778689,8.503154726,11.89548669,24.65977789,0.710063034,1.395450323 +UMLS0121,L,3-Methylheptane,CCCCC(C)CC,11519,Opting for Sandia/UML values,"Sandia, UML",[1],C8H18,PubChem,,-8.2,0,1.2892,1.66203664,34.8778,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1516.485775,692.383442,274.650937,78.738912,9.144576,0,3885.475125,5223.921076,7758.63172,8237.925345,5532.482072,2367.173399,874.9221648,279.7536999,0,167.819552,174.20624,341.883496,485.2951,497.348552,286.190884,83.016576,60.466176,0,29.42500648,40.12790896,63.51436973,73.84555631,56.76864549,26.36948034,9.348943289,4.001516144,0,3973.037281,3464.315612,7404.551417,11080.65075,12243.97122,7454.057255,2028.241198,1664.258868,0,36.55555556,44.5,75.16666667,102.9444444,94,49,18,9,0,48.76541633,56.15943233,37.32917321,21.97805471,9.616436694,6.539308024,6.561576,1.016064,0,161.8947969,217.6633782,161.6381608,119.3902224,76.84002878,56.3612714,72.9101804,31.08374443,0,6.992481333,7.258593333,7.122572833,7.033262319,6.907618778,6.814068667,6.918048,6.718464,0,1.226041937,1.671996207,1.323216036,1.070225454,0.78845341,0.62784477,0.779078607,0.444612905,0,165.54322,144.3464838,154.2614879,160.5891412,170.0551559,177.4775537,169.0200999,184.917652,0,1.523148148,1.854166667,1.565972222,1.49194847,1.305555556,1.166666667,1.5,1,0,0.032184881,-0.002794163,-0.003374751,-0.017556483,-0.008175392,0.015521998,-0.004542298,0.004828648,0,645.6853813,6.32E-13,-80.71067267,-403.5533633,-161.4213453,282.4873543,-80.71067267,121.066009,0,1200.679538,-5.68E-14,-150.0849423,-750.4247115,-300.1698846,525.297298,-150.0849423,225.1274134,0,0.126485333,2.94E-15,-0.015810667,-0.079053333,-0.031621333,0.055337333,-0.015810667,0.023716,0,5.367596186,1.20E-14,-0.670949523,-3.354747616,-1.341899046,2.348323331,-0.670949523,1.006424285,0,29.15686767,-1.15E-13,-3.644608459,-18.22304229,-7.289216918,12.75612961,-3.644608459,5.466912688,0,2.314814815,-0.888888889,0.314814815,-0.872685185,-0.759259259,1.421296296,-0.712962963,0.340277778,0,0.001341037,-1.16E-04,-7.03E-05,-2.54E-04,-1.14E-04,3.70E-04,-3.79E-04,5.37E-04,0,26.90355756,2.63E-14,-1.681472347,-5.848599469,-2.24196313,6.725889389,-6.725889389,13.45177878,0,50.0283141,-2.37E-15,-3.126769631,-10.87572046,-4.169026175,12.50707852,-12.50707852,25.01415705,0,0.005270222,1.22E-16,-3.29E-04,-0.0011457,-4.39E-04,0.001317556,-0.001317556,0.002635111,0,0.223649841,5.02E-16,-0.013978115,-0.048619531,-0.018637487,0.05591246,-0.05591246,0.111824921,0,1.214869486,-4.81E-15,-0.075929343,-0.264102062,-0.101239124,0.303717372,-0.303717372,0.607434743,0,0.096450617,-0.037037037,0.006558642,-0.012647611,-0.010545267,0.033840388,-0.05941358,0.037808642,0,-0.086816021,-0.052427578,-0.18973514,-0.084671142,0.275586333,-0.28226284,0.400075908,0,9.79E-16,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,-4.73E-17,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,2.32E-14,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,2.24E-15,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,-3.96E-15,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,-0.384,0.068,-0.131130435,-0.109333333,0.350857143,-0.616,0.392,0,1.523968426,1.160656604,1.242993329,0.924081426,0.372814716,1.312885028,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.909,0.7935,1.144,0.973666667,0.315428571,2.484,0,0,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,36.37046045,18.09495245,27.0767301,36.23504379,4.529380473,18.0949525,-0.180555556,4.44E-16,5.55E-17,-28.28040497,32.36841845,4.046052306,2.781746567,0,11.9,12.10012615,-0.149968906,0.050155463,5.91796875,7.969458799,8,24,24,24,8,0,0,0,0,0,17.491312,3.655766806,3.083686372,2.750129472,2.44126965,1.98485383,1.456797487,1.048635851,0.862362243,2.009462833,1.609084769,1.372874417,1.28028651,0.944510797,0.666206401,0.389383891,0.340307529,3.679464424,3.118291847,2.792995694,2.504797867,2.060065054,1.556142907,1.161811883,0.99706418,1.957193507,1.532051243,1.285229005,1.171855019,0.8242471,0.522081792,0.233630849,0.177034125,3.78376187,3.273013991,2.981537655,2.773435551,2.373411403,1.9628467,1.619577835,1.517277249,1.804623849,1.304234134,1.018928274,0.824648026,0.432252462,0.037619229,0.297324512,0.39146662,3.696923778,3.143950862,2.824624264,2.551095198,2.114622617,1.62787375,1.243233128,1.092231731,1.92402584,1.482803942,1.228596505,1.100379875,0.744460974,0.425347018,0.128567758,0.066155451,3.834691516,3.349275902,3.072480534,2.896868808,2.514757382,2.141548494,1.817637207,1.733584328,1.75730828,1.233507639,0.933903671,0.707223716,0.296913179,0.135164289,0.489848852,0.604157756,3.69204087,3.236430581,2.849225422,2.747143852,2.240598706,1.744477468,1.36150057,1.245632369,1.913033002,1.380144269,1.1655301,0.892837838,0.586754488,0.270278054,0.030577606,0.113581886,0,0,0,0,0,2,4,2,0,0,0,0,0.083333333,0.166666667,0,0,0,0.083333333,0.166666667,0.577350269,0,0,0,0.577350269,0,0,0,0.816496581,0.760079655,1.138071187,0.816496581,0.760079655,1.138071187,5.983127663,3.7876937,3.365043969,2.304530453,1.426746322,1.304737854,0.333333333,0,0.747890958,0.473461713,0.336504397,0.230453045,0.142674632,0.108728155,0.083333333,0,5.983127663,3.7876937,3.365043969,2.304530453,1.426746322,1.304737854,0.333333333,0,0.747890958,0.473461713,0.336504397,0.230453045,0.142674632,0.108728155,0.083333333,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,30.70152702,40.30404889,61.40305404,7.675381755,30.70152702,0.094421893,0.011802737,-1.887985849,23.37145629,2.921432036,2.521212369,58,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.733888889,0,5.893518519,0,0,0,2.039259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.366944444,0,1.47337963,0,0,0,1.01962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.366944444,0,1.47337963,0,0,0,1.01962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.366944444,0.2,1.01962963,5.752401111,0.313703704,0.366944444,1.467777778,0.313703704,0.366944444,1.467777778,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.39431,1.04929,8.39431,0,0,3.78768,0.47346,3.78768,0,0,0.12632,0.01579,0.21232,0.02654,0.25,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.355388542,2.188721876,2.084962501,2.355388542,22.03910002,34.03910002,56.52932501,52.52932501,50.03910002,56.52932501,0.200284263,0.309336409,0.51372035,0.477369635,0.45473927,0.51372035,3.666666667,3.166666667,2.229573959,2.396240625,2.5,2.229573959,0.200284263,0.309336409,0.51372035,0.477369635,0.45473927,0.51372035,6.73287657,12.73287657,13.67730206,11.67730206,13.40475992,13.67730206,31.59900002,23.74937501,25.33383542,28.50376042,25.96290834,25.33383542,6.125,2.52,1.8,0,0,0,2.34,1.1272,0.2,3.265986324,2,0,3.301927249,5.656854249,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,10,10,12,4,0,0,0,0,62,2.197224577,2.397895273,2.397895273,2.397895273,2.564949357,1.609437912,0,0,0,0,4.143134726,1,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,5,0.666666667,2,0.888888889,0.25,0.302222222,0,0,0,0,0,0,0.25,0.088888889,0.035714286,0.151111111,0,0,0,0,0,0,0.525714286,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,0,134.567877,4,3.610917913,4.343805422,5.129898715,5.888877958,6.670766321,7.438971592,8.217438538,8.989319566,9.765890765,76.05588679,2.833213344,0,4.043051268,0,5.451038454,0,6.940222469,0,8.463159303,8.712924435,112.1252005,4.671883355,15.53282921,1.941603651,0,0,0,62,7,4.43,36,1.224166127,2.094798552,2.82656971,3.506154152,4.094152582,4.693536152,5.363830398,0,0,0,78.54273178,87.22116534,65.92326671,34.54950735,28.44780847,32.54373606,5.449994969,0,0,0,289.3400736,362.9374319,352.5785436,273.9466147,234.4065243,355.381183,166.7279333,0,0,0,8.917064339,14.96972448,19.93143019,24.2381409,27.90156847,32.53297395,36.03670143,0,0,0,2.17096299,2.916040913,3.130286752,2.798675984,2.589360106,3.761984613,2.384828214,0,0,0,174.752874,319.6818132,449.9652141,594.7476774,726.4189345,788.2944908,991.866923,0,0,0,2.314325495,3.369627379,4.298678651,4.616683582,4.80951116,7.197795718,5.363830398,0,0,0,0.449298446,0.611694975,0.668054201,0.61184664,0.574989934,0.825204218,0.549256233,0,0,0,322.5837079,132.7125234,8.265006903,103.4346146,-42.55350899,-5.576661616,219.1490932,175.2660324,13.84166852,0.757206183,0.311518346,0.01940059,0.242793817,-0.09988657,-0.013090192,137.4265701,56.53796658,3.521044376,44.06504102,-18.12857452,-2.375760027,0.072029729,0.151474141,1.000683555,1.257605575,426.0183225,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,953.5049109,30.87887483,9.842550341,1.426147299,1.244647151,334.3919452,284.8973579,145.3027614,1.173727786,2.301346113,1.960715372,3.668354502,3.898790099,6.288840458,0.613023604,4.463030152,5.745298896,9.55497363,13.96362463,18.00146,11.87690117,11.9841974,5.329056094,8.23265695,0.006095332,1.3124671,0.011608965,1.09E-22,1.96E-64,6.85E-128,4.61E-213,5.981E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375119016,5.572299922,0.568812495,5.08323662,2.082131923,1.369235279,1.049144739,0.286667208,0.231181307,4.38E-04,0.00929553,8.18E-05,7.65E-25,1.38E-66,4.82E-130,3.25E-215,4.2E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,1.209548647,5.583860927,1.965362255,6.223271142,4.529394214,2.926458704,2.249542795,0.816226742,1.0492052,0.001461295,0.09646053,8.52E-04,7.97E-24,1.44E-65,5.03E-129,3.38E-214,4.39E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212771097,5.726305431,8.849997401,13.18201518,16.74309413,11.0257506,10.94978734,4.843587516,7.454404654,0.005702571,1.169420167,0.010343378,9.67E-23,1.75E-64,6.10E-128,4.11E-213,5.329E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,1.782358484,5.598849587,3.054017212,7.205590433,6.447556392,4.169918882,3.379905373,1.328123897,1.852816927,0.002202986,0.209397898,0.001850728,1.73E-23,3.13E-65,1.09E-128,7.35E-214,9.535E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389626864,5.825163655,12.3410037,17.12775655,22.98285151,15.26435937,16.22855277,7.327244896,11.44164018,0.00760223,1.913941231,0.016930584,1.58E-22,2.86E-64,9.99E-128,6.72E-213,8.7227E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,2.967224414,5.111836721,5.150767528,9.761240052,10.2274532,7.121915049,6.467548924,2.848369428,4.142302887,0.004479022,0.523800916,0.004630723,4.33E-23,7.83E-65,2.73E-128,1.84E-213,2.386E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,2.860439142,1.404774445,0.918608677,0.551801161,0.270992016,0.46148101,0.498458458,0.475363433,5.183822264,7.936334017,16.81137563,0.327701741,1.4353029,2.115485183,0.86856724,0.428570359,0.619900094,0.254516041,0.254274819,0.189846748,0.104550325,3.412622782,3.116317546,7.316413131,0.429850141,0.548671892,2.4104981,1.081380827,0.624206799,0.585628741,0.262720677,0.328892773,0.294720739,0.221584426,4.116085725,4.786320995,10.52950563,0.378443111,0.845197939,2.841916266,1.391484983,0.906571107,0.552904971,0.270718379,0.455572044,0.489028588,0.46323125,5.139972355,7.79236306,16.51735618,0.329357456,1.407831881,2.542383791,1.1763066,0.710957722,0.573947123,0.265553057,0.365397038,0.348964935,0.286895314,4.429648113,5.634454483,12.19030899,0.360920685,1.001257286,2.918451816,1.446384515,0.95626829,0.548467287,0.271820349,0.480239001,0.528571186,0.514256639,5.321104621,8.395158088,17.75286578,0.322700931,1.523066825,2.857087733,1.392467197,0.909098066,0.553843752,0.269928448,0.460330435,0.489744147,0.465362539,5.158652995,7.841663113,16.61707271,0.330765629,1.415437121 +UMLS0122,L,"1,4-Dimethylcyclohexane",CC1CCC(CC1)C,11523,Sandia Ron value was averaged but one of those values was the same value as UML and the other value is unclear so we should go with UML sensitivity ,"Sandia, UML",[1],C8H16,PubChem,,6.1,0,1.3819,1.90964761,32.8025,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1410.479624,1071.500644,702.539211,236.216736,27.433728,0,0,3461.958223,4376.887272,6118.039963,6594.369706,4921.080766,2624.766494,839.2610996,0,0,160.279036,159.125208,296.735264,382.051984,493.380588,249.049728,181.398528,0,0,26.63610648,34.55010896,50.80666687,60.14350145,51.08575573,28.04682987,12.00454843,0,0,3846.242925,3210.7269,6665.652931,8481.255853,12567.38918,6084.723595,4992.776605,0,0,38.0625,44.625,68.125,94,92.25,54,27,0,0,44.61329874,48.14991518,33.58284819,19.84260452,9.757489042,6.561576,1.016064,0,0,150.5199227,198.9494215,145.6676182,122.1179575,68.34834397,72.9101804,31.08374443,0,0,6.968653739,7.232964,7.065125333,7.075036741,6.852508167,6.918048,6.718464,0,0,1.158091586,1.570459498,1.209682544,1.113768545,0.709524385,0.779078607,0.444612905,0,0,167.2279533,145.9421318,158.7060222,157.0602936,174.5470719,169.0200999,184.917652,0,0,1.654891304,2.028409091,1.62202381,1.740740741,1.28125,1.5,1,0,0,0.031308089,-0.007806788,0.009954919,-0.035290689,0.018020307,-0.015105076,0.014573283,0,0,589.5388264,-58.58770946,113.0559706,-678.7935401,286.3016583,-259.5252442,302.7794516,0,0,1096.272622,-108.9463475,210.232405,-1262.245573,532.3901592,-482.5982738,563.0313194,0,0,0.115486609,-0.01147693,0.022146888,-0.132970994,0.056084529,-0.050839214,0.059312416,0,0,4.900848691,-0.487040864,0.939836667,-5.642825007,2.380031721,-2.157438826,2.517011964,0,0,26.62148787,-2.645613702,5.10520769,-30.651915,12.92837008,-11.71924194,13.67244894,0,0,3.364130435,-2.02221172,2.519848771,-4.167414934,2.813917769,-2.232986767,1.406781664,0,0,0.001361221,-3.55E-04,2.37E-04,-6.54E-04,2.50E-04,-4.20E-04,5.40E-04,0,0,25.63212289,-2.663077703,2.691808824,-12.57025074,3.976411921,-7.209034562,11.21405376,0,0,47.66402704,-4.952106706,5.005533452,-23.37491802,7.394307767,-13.40550761,20.85301183,0,0,0.005021157,-5.22E-04,5.27E-04,-0.002462426,7.79E-04,-0.0014122,0.002196756,0,0,0.213080378,-0.022138221,0.022377063,-0.104496759,0.033055996,-0.059928856,0.093222665,0,0,1.157455995,-0.120255168,0.121552564,-0.567628056,0.179560696,-0.325534498,0.506386998,0,0,0.146266541,-0.091918715,0.059996399,-0.077174351,0.039082191,-0.06202741,0.052103025,0,0,-0.260687952,0.174124426,-0.480106583,0.183865802,-0.308241911,0.396519835,0,0,-0.103896104,0.105017007,-0.490410053,0.155133929,-0.28125,0.4375,0,0,-0.103896104,0.105017007,-0.490410053,0.155133929,-0.28125,0.4375,0,0,-0.103896104,0.105017007,-0.490410053,0.155133929,-0.28125,0.4375,0,0,-0.103896104,0.105017007,-0.490410053,0.155133929,-0.28125,0.4375,0,0,-0.103896104,0.105017007,-0.490410053,0.155133929,-0.28125,0.4375,0,0,-0.628432956,0.410185399,-0.527628194,0.267198438,-0.424071082,0.356219709,0,0,1.799361069,0.862060939,1.685310403,0.547746638,1.29890239,9.23E-05,0,0,1.642857143,1.075680272,1.673280423,0.564732143,1.129464286,0,0,0,1.642857143,1.075680272,1.673280423,0.564732143,1.129464286,0,0,0,1.642857143,1.075680272,1.673280423,0.564732143,1.129464286,0,0,0,1.642857143,1.075680272,1.673280423,0.564732143,1.129464286,0,0,0,1.642857143,1.075680272,1.673280423,0.564732143,1.129464286,0,0,0,2.229402262,0.428186784,1.843041345,0.383178514,1.634894992,0,0,0,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,36.3946862,18.08067644,27.80994209,36.22801954,5.175431363,18.08067647,-0.233333333,0.127721323,0.018245903,-1.440533189,20.26240464,2.894629234,2.106137027,0,11.89,12.11009426,-0.159452624,0.061766663,5.284182967,8.590248746,6,22,22,22,6,0,0,0,0,0,17.491312,3.559019746,3.043630064,2.333552793,2.333552793,2.205224195,1.392743986,0.464923411,0.083923071,1.936237422,1.635934057,1.249629723,1.249629723,1.112240326,0.645437315,0.083923071,0.083923071,3.583497694,3.085294105,2.405454588,2.405454588,2.27490309,1.498421471,0.569930782,0.270913902,1.879388158,1.553533088,1.134540686,1.134540686,0.99676252,0.498707768,0.270913902,0.270913902,3.692938747,3.266372735,2.704236987,2.704236987,2.567975623,1.924352126,0.966354443,0.943918427,1.715118272,1.301954111,0.76031856,0.76031856,0.623499391,0.001748192,0.943918427,0.943918427,3.601631153,3.1159022,2.457539916,2.457539916,2.325607286,1.574268049,0.643706769,0.399277246,1.843430361,1.500221837,1.058262671,1.058262671,0.92036888,0.399985398,0.399277246,0.399277246,3.747225935,3.352774406,2.838982085,2.838982085,2.701595331,2.108963702,1.207644823,1.207644823,1.664941284,1.220907543,0.631337262,0.631337262,0.496015287,0.17746893,1.124415101,1.207644823,3.573490055,3.16845246,2.612600818,2.612600818,2.395325552,1.641222903,0.628860786,0.571428571,1.85929621,1.429357542,0.898315104,0.898315104,0.820678315,0.298019687,0.571428571,0.571428571,0,0,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.560660172,0.353553391,0,0,0.75,1,0.25,0.75,1,0.25,5.914213562,3.060660172,3.310660172,1,0.75,0,0,0,0.844887652,0.510110029,0.413832521,0.25,0.25,0,0,0,5.914213562,3.060660172,3.310660172,1,0.75,0,0,0,0.844887652,0.510110029,0.413832521,0.25,0.25,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,38,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,9.050347222,0,2.649305556,0,0,0,0,0,0,0,0,0,0.550347222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.227430556,0,1.309027778,0,0,0,0,0,0,0,0,0,0.550347222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.274305556,0,1.340277778,0,0,0,0,0,0,0,0,0,0.550347222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.25,1.75,0.2,2.274305556,0,0.550347222,5.321550347,0.699652778,0.274305556,2.100694444,0.699652778,0.274305556,2.100694444,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.57143,0,0.14286,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.77542,1.11077,7.77542,0,0,3.06066,0.43724,3.06066,0,0,0.35334,0.05048,0.35334,0.05048,0,6,0,0,0,0,0,0,1,0.886540893,1.306170652,2.098586412,2.608818477,2.499098392,1.799348487,20.39044053,30.04192499,48.26748748,60.00282497,57.47926302,41.38501519,0.195982923,0.288748262,0.463923437,0.576717751,0.55246251,0.397772486,3.637021063,3.217391304,2.424975544,1.914743479,2.024463564,2.724213469,0.19880132,0.292900702,0.470595043,0.585011432,0.560407381,0.403492786,6.634953582,11.67051069,14.97587471,14.53425805,13.21761703,8.188584212,27.76507516,21.21742031,19.25152915,20.07882979,17.58212912,14.60921646,7,2.34375,6,7,0,5,2.23,1.0949,2.121320344,3.746748298,0,3.039342743,1,0,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,2.855,8,4,3,0,0,0,0,0,0,28,1.945910149,2.197224577,1.609437912,1.386294361,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,3,0.666666667,0.375,0,0,0,0,0,0,0,0.5,0.083333333,0.09375,0,0,0,0,0,0,0,0.677083333,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,0,129.6283511,3.807354922,3.36729583,3.970291914,4.812184355,5.433722004,6.285998095,6.91274282,7.767687277,8.395929104,9.25157828,69.19742968,2.564949357,0,3.80666249,0,5.198497031,0,6.650279049,0,8.123557835,8.386628821,100.1252005,4.353269587,12.44898539,1.778426484,0,0,0,46,4,4.299,28,1.224818182,2.110039005,2.925391863,3.444940648,4.267175979,5.232313993,0,0,0,0,69.72220731,81.39693149,62.85969375,40.55503078,31.45493156,5.316365885,0,0,0,0,268.787596,337.4239973,370.6491673,256.7087877,337.1835545,162.6399109,0,0,0,0,8.893455721,14.97568724,20.72627454,23.66040965,29.64489348,35.1531132,0,0,0,0,2.059771149,2.735845826,3.339002704,2.578335402,3.53287855,2.326354323,0,0,0,0,176.6115071,329.9879212,457.3961271,597.3414425,711.3323912,967.5472182,0,0,0,0,2.530176136,3.592634557,5.157394396,4.556317719,6.712325108,5.232313993,0,0,0,0,0.427911136,0.575376064,0.713318333,0.5638878,0.77341134,0.535788953,0,0,0,0,362.9564459,140.4495827,8.674593963,142.8397749,-55.27326214,-8.668901582,220.116671,195.7228448,17.34349554,0.717594223,0.277680174,0.017150373,0.282405777,-0.109279706,-0.017139119,183.5819987,71.03886815,4.387576844,72.24781835,-27.9570071,-4.384697659,0.069842332,0.168646627,1.330292731,10.97867762,505.7962209,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,633.543587,25.17029176,8.588661762,1.463026135,1.205835205,343.0854036,339.6463059,121.6553363,1.010125527,2.820142659,2.791873469,3.897399416,3.220218461,6.42424645,0.994972244,4.462408855,5.691253305,2.782204597,20.12272941,4.123250571,6.332667077,7.623546394,9.21635197,4.238703442,6.841985068,1.605890969,1.126710556,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690852363,0.151666599,8.617090788,1.027190268,0.179954175,0.370290182,0.507237778,1.057461171,0.085333591,0.01131149,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690879785,0.543514798,10.47213388,1.254393886,0.812478757,1.174393029,1.732432441,1.432442169,0.597595505,0.117866056,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691209508,2.569833129,19.24377743,3.790518363,5.735472874,6.940204694,8.487722537,3.946884091,6.121662003,1.430820678,1.00387882,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690914767,0.855589699,11.89209407,1.530546132,1.431780082,1.927233873,2.737545153,1.771323486,1.206652169,0.256018195,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691437324,3.626803976,23.57532116,5.517793769,8.794203131,10.42536321,12.13607316,5.42939028,9.857235741,2.34203757,1.643201455,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.732087054,4.529584755,1.126305987,14.49598461,2.036862164,2.638297077,2.987885591,3.999831076,2.721530226,2.391882386,0.524377099,0.367905488,2.62E-15,3.60E-51,9.54E-109,4.88E-188,4.81E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.515230743,1.123595985,1.083373056,0.614314578,0.19635735,0.492756445,0.467591148,0.472182244,5.722199784,8.975279038,18.97647646,0.421471866,1.432529836,2.802221418,0.624749326,0.590249565,0.697552338,0.155517815,0.313039937,0.144485987,0.140160276,4.017220309,3.773453934,8.82401586,0.546328507,0.5976862,3.097542806,0.831377589,0.794500868,0.655783728,0.176011739,0.382546796,0.255927656,0.253946565,4.723421263,5.696758334,12.46620022,0.483675592,0.892421018,3.498754302,1.112069446,1.071978197,0.615674158,0.19569034,0.488144785,0.458041982,0.462301706,5.682801946,8.83356029,18.68727692,0.423511237,1.408488473,3.223872632,0.9197622,0.88187159,0.641502042,0.183018809,0.414408526,0.313265435,0.312870269,5.025506422,6.619350023,14.25977872,0.462253063,1.04054423,3.566456309,1.159431947,1.118799777,0.610204734,0.198373624,0.507232827,0.497909103,0.503568242,5.844688033,9.422386108,19.89338213,0.415307102,1.508710172,3.507982808,1.114254762,1.075002078,0.615733763,0.195578005,0.490732959,0.459857886,0.464913544,5.697239647,8.877701539,18.77689485,0.423600645,1.415504389 +UMLS0123,L,"2,2-Dimethylpentane",CCCC(C)(C)C,11542,,"Sandia, UML",[1],C7H16,PubChem,,-2.8,0,0.175,0.030625,32.0903,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1912.866323,1583.031919,701.528018,153.584928,12.192768,0,0,3885.475125,5223.921076,7983.759134,8739.842576,5812.235772,2142.045985,373.0049332,0,0,167.819552,174.20624,341.907212,487.690108,557.814728,286.167168,80.621568,0,0,29.42500648,40.12790896,64.52079401,77.85914474,60.77016164,25.36305606,5.335354858,0,0,3973.037281,3464.315612,7410.01833,10889.88012,13908.23009,7448.590342,2219.011824,0,0,36.8125,44.75,76.25,109.375,103.5,49,12,0,0,48.76541633,56.15943233,39.85138173,22.94249158,8.660839728,3.656784,1.016064,0,0,161.8947969,217.6633782,166.3283153,126.6643852,71.75599718,51.00109489,31.08374443,0,0,6.992481333,7.258593333,7.123066917,7.06797258,6.88660158,6.813504,6.718464,0,0,1.226041937,1.671996207,1.344183209,1.128393402,0.750248909,0.603882287,0.444612905,0,0,165.54322,144.3464838,154.3753819,157.8243496,171.7065444,177.3473891,184.917652,0,0,1.533854167,1.864583333,1.588541667,1.585144928,1.277777778,1.166666667,1,0,0,0.031757682,-0.00388786,0.005049717,-0.029313225,-0.002099041,0.006890853,0.007480714,0,0,645.6853813,5.47E-13,40.35533633,-645.6853813,-40.35533633,161.4213453,161.4213453,0,0,1200.679538,-5.68E-14,75.04247115,-1200.679538,-75.04247115,300.1698846,300.1698846,0,0,0.126485333,2.94E-15,0.007905333,-0.126485333,-0.007905333,0.031621333,0.031621333,0,0,5.367596186,1.14E-14,0.335474762,-5.367596186,-0.335474762,1.341899046,1.341899046,0,0,29.15686767,-1.15E-13,1.822304229,-29.15686767,-1.822304229,7.289216918,7.289216918,0,0,2.372395833,-1.0703125,1.380208333,-2.143554687,-0.082356771,0.259765625,0.470052083,0,0,0.001323237,-1.62E-04,1.05E-04,-4.25E-04,-2.59E-05,1.64E-04,6.23E-04,0,0,26.90355756,2.28E-14,0.840736174,-9.35775915,-0.498214029,3.843365365,13.45177878,0,0,50.0283141,-2.37E-15,1.563384816,-17.40115273,-0.926450261,7.146902014,25.01415705,0,0,0.005270222,1.22E-16,1.65E-04,-0.001833121,-9.76E-05,7.53E-04,0.002635111,0,0,0.223649841,4.74E-16,0.006989058,-0.077791249,-0.004141664,0.031949977,0.111824921,0,0,1.214869486,-4.81E-15,0.037964671,-0.4225633,-0.022497583,0.173552784,0.607434743,0,0,0.098849826,-0.044596354,0.02875434,-0.03106601,-0.00101675,0.006184896,0.039171007,0,0,-0.122422657,0.079503871,-0.321053168,-0.019583858,0.123989853,0.471112103,0,0,8.47E-16,0.03125,-0.347826087,-0.018518519,0.142857143,0.5,0,0,-4.73E-17,0.03125,-0.347826087,-0.018518519,0.142857143,0.5,0,0,2.32E-14,0.03125,-0.347826087,-0.018518519,0.142857143,0.5,0,0,2.12E-15,0.03125,-0.347826087,-0.018518519,0.142857143,0.5,0,0,-3.96E-15,0.03125,-0.347826087,-0.018518519,0.142857143,0.5,0,0,-0.45115258,0.290889133,-0.314274806,-0.010285807,0.062568606,0.396267838,0,0,1.56031225,1.017589676,1.43827378,0.82501031,0.561942253,0.003325082,0,0,1.4375,1.16796875,1.4375,0.798611111,0.513392857,0,0,0,1.4375,1.16796875,1.4375,0.798611111,0.513392857,0,0,0,1.4375,1.16796875,1.4375,0.798611111,0.513392857,0,0,0,1.4375,1.16796875,1.4375,0.798611111,0.513392857,0,0,0,1.4375,1.16796875,1.4375,0.798611111,0.513392857,0,0,0,1.969264544,0.580680571,1.567508233,0.81538399,0.634781245,0,0,0,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,35.86878211,17.67109353,25.80643342,35.77815711,4.472269638,17.67109361,-0.18125,0.047796088,0.005974511,-2.432649186,44.49953227,5.562441534,3.036382943,0,11.9,12.10012615,-0.150248744,0.049932191,6.468125,9.068753977,8,24,24,24,8,0,0,0,0,0,17.491312,3.673255551,3.052196949,2.750129472,2.333552793,2.145105355,1.456797487,1.210901199,0.441713938,2.013708642,1.589242385,1.372874417,1.249629723,1.037732619,0.666206401,0.546797064,0.083923071,3.69558268,3.08800298,2.792995694,2.405454588,2.212954426,1.556142907,1.325510656,0.551555594,1.962583172,1.511208006,1.285229005,1.134540686,0.923130647,0.522081792,0.393028903,0.270913902,3.794782305,3.247217301,2.981537655,2.704236987,2.499839866,1.9628467,1.784358262,0.964952343,1.814793638,1.27918801,1.018928274,0.76031856,0.554434314,0.037619229,0.132939592,0.943918427,3.712084697,3.114503178,2.824624264,2.457539916,2.262420155,1.62787375,1.407627065,0.628608479,1.930259744,1.461220842,1.228596505,1.058262671,0.847449473,0.425347018,0.289204533,0.399277246,3.843725716,3.325230945,3.072480534,2.838982085,2.631339642,2.141548494,1.981263671,1.207644823,1.769484866,1.206690516,0.933903671,0.631337262,0.429191875,0.135164289,0.324777273,1.129609302,3.709736497,3.186847507,2.843630456,2.701410456,2.365021292,1.7395605,1.540572959,0.686584958,1.919274411,1.365446615,1.170933049,0.819057515,0.709144434,0.275003005,0.122348732,0.62745098,0,0,0,0,0,2,5,0,1,0,0,0,0.088388348,0.176776695,0,0,0,0.088388348,0.176776695,1.207106781,0.25,0,0,1.207106781,0.25,0,0,1.207106781,1.457106781,1.207106781,1.207106781,1.457106781,1.207106781,6.035533906,3.707106781,3.724873734,2.207106781,1.508883476,1.030330086,0.353553391,0,0.754441738,0.463388348,0.338624885,0.220710678,0.150888348,0.103033009,0.088388348,0,6.035533906,3.707106781,3.724873734,2.207106781,1.508883476,1.030330086,0.353553391,0,0.754441738,0.463388348,0.338624885,0.220710678,0.150888348,0.103033009,0.088388348,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.9767,36.866,29.99704517,41.45422905,59.99409034,7.499261292,29.99704517,0.157950336,0.019743792,-1.476379698,43.07086986,5.383858732,3.010277516,52,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,4.762222222,0,7.308958333,0,0,0,0,0,0,0,0,0,0.678819444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.381111111,0,1.451388889,0,0,0,0,0,0,0,0,0,0.678819444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.381111111,0,1.475625,0,0,0,0,0,0,0,0,0,0.678819444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.75,1.59375,0.2,2.381111111,0,0.678819444,5.746508681,0.571180556,0.381111111,1.524444444,0.571180556,0.381111111,1.524444444,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0,0.125,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.72242,1.0903,8.72242,0,0,3.70711,0.46339,3.70711,0,0,0.20689,0.02586,0.29289,0.03661,0.25,8,0,0,0,0,0,0,1,0.918295834,1.351227481,2.18979819,2.625814584,2.621653522,2.217090775,22.03910002,32.42945954,52.55515656,63.01955001,62.91968454,53.21017859,0.200284263,0.294708513,0.477604384,0.572701431,0.571793885,0.483557014,3.666666667,3.23373502,2.395164311,1.959147917,1.963308978,2.367871726,0.200284263,0.294708513,0.477604384,0.572701431,0.571793885,0.483557014,6.73287657,11.92805633,14.99670114,15.78187335,13.2084235,12.80069503,31.59900002,25.11476817,23.32880898,22.06315834,25.91927858,26.4586136,6.125,2.082644628,1.8,0,0,0,2.34,1.1272,0.5,3.701071725,0,2,6.083643419,0,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.111,0.198,0.227,3.71,11,10,10,10,4,0,0,0,0,61,2.197224577,2.48490665,2.397895273,2.397895273,2.397895273,1.609437912,0,0,0,0,4.127134385,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,2.5,0.888888889,0.375,0.222222222,0,0,0,0,0,0,0.3125,0.080808081,0.053571429,0.111111111,0,0,0,0,0,0,0.55799062,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,0,134.567877,4,3.663561646,4.394449155,5.241747015,5.993961427,6.842683282,7.601402335,8.449556543,9.210440367,10.05813811,77.45593988,2.833213344,0,4.110873864,0,5.59471138,0,7.158513997,0,8.750999691,8.981304495,112.1252005,4.671883355,15.45878878,1.932348597,0,0,0,59,7,4.528,38,1.224166127,2.094237924,2.837703581,3.462235659,4.287288804,4.69929817,0,0,0,0,78.54273178,92.80959504,69.84087384,32.29304135,15.56996024,4.774787695,0,0,0,0,289.3400736,373.7598447,374.9085729,260.3705478,217.8438897,146.0717833,0,0,0,0,8.917064339,14.96986736,20.09971422,23.89163696,29.20758224,31.57206558,0,0,0,0,2.17096299,2.966341993,3.302402898,2.686663873,2.582520332,2.08936861,0,0,0,0,174.752874,319.6015529,444.6579025,590.6758662,760.6483066,868.9831837,0,0,0,0,2.325621618,3.430510401,4.571499896,4.519241808,4.999155808,4.69929817,0,0,0,0,0.449298446,0.62102891,0.703340051,0.588468819,0.578141591,0.481208133,0,0,0,0,321.8536803,131.4459954,8.222891172,81.8922884,-33.44505292,-4.382288063,239.9613919,164.8910484,12.60517924,0.797168778,0.325566088,0.020366497,0.202831222,-0.082836871,-0.010854073,129.9471259,53.07079076,3.319959162,33.06368131,-13.50330529,-1.769331139,0.066216686,0.146451469,0.684084356,1.160636704,403.7459687,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,966.5133885,31.08879844,9.887108304,1.3716744,1.3716744,303.3101519,266.3945771,159.8266801,1.138574798,1.897744179,1.666771636,3.626145416,3.651473827,5.904977379,0.617149036,4.463030152,6.231246365,6.837633902,10.88430292,22.36974835,11.7646149,11.76944373,6.257713045,6.330015961,0.094381613,0.405386603,4.20E-16,8.41E-53,3.25E-111,2.42E-191,3.47E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375119016,5.57572249,0.490820653,4.350945273,1.123392107,3.325383454,0.917545023,0.204858185,0.122884835,6.65E-04,0.002855171,2.96E-18,5.92E-55,2.29E-113,1.70E-193,2.44E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.209548647,5.619526722,1.614479357,5.024266163,4.100689585,4.838265802,1.899561946,0.872367458,0.665760378,0.006927076,0.029753083,3.09E-17,6.17E-54,2.38E-112,1.77E-192,2.54E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212771097,6.159275878,6.388287747,10.25075143,20.58810256,11.17377047,10.66887295,5.686219389,5.693845838,0.084092318,0.361192165,3.75E-16,7.49E-53,2.89E-111,2.15E-191,3.09E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.782358484,5.67632046,2.436864976,5.682529664,6.548185581,5.93908965,2.93981482,1.499244817,1.253437274,0.015046536,0.064627672,6.70E-17,1.34E-53,5.17E-112,3.85E-192,5.53E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389626864,6.533872369,8.570392928,13.49527606,29.51247367,14.03649524,16.33966306,8.601851619,8.976333924,0.137646712,0.591218261,6.13E-16,1.23E-52,4.73E-111,3.52E-191,5.06E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.965149212,5.241737519,3.874484604,7.734461384,11.47984904,8.55956034,5.772694665,3.079795162,2.863265266,0.037157544,0.15959857,1.66E-16,3.31E-53,1.28E-111,9.51E-192,1.36E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.479514822,1.414230778,1.107091766,0.495819928,0.282798794,0.516392398,0.476757773,0.448349385,5.000837366,7.817339868,16.70031206,0.243729892,1.441499556,1.832699571,0.877549636,0.548044161,0.562472241,0.269328,0.281717939,0.185185915,0.110759795,3.258293368,3.093621094,7.233325578,0.343708361,0.577663649,2.089455252,1.090578613,0.770341419,0.528925761,0.276069622,0.366358508,0.284969525,0.218187825,3.950375283,4.728427008,10.434191,0.293388641,0.869515858,2.463488409,1.400929584,1.093278893,0.49690178,0.282576692,0.50971709,0.467923087,0.437329334,4.957696886,7.676060418,16.40685277,0.24535267,1.414969511,2.203963347,1.185580374,0.869320957,0.517500206,0.278379442,0.407716922,0.336250167,0.277464407,4.258864678,5.55957708,12.08995628,0.276250309,1.021431496,2.529693049,1.455879247,1.150326394,0.492551197,0.283471177,0.537576151,0.504949315,0.483707885,5.13589869,8.267636618,17.64010415,0.238826796,1.526233351,2.470440157,1.402063718,1.09898729,0.496921361,0.28202076,0.512587991,0.46847145,0.441487345,4.971491164,7.719547048,16.49761644,0.245382042,1.422546787 +UMLS0124,L,"1,1-Dimethylcyclohexane",CC1(CCCCC1)C,11549,,"Sandia, UML",[1],C8H16,PubChem,,1.4,0,1.0939,1.19661721,35.7141,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1604.188161,1268.257373,899.29594,675.105483,236.216736,27.433728,0,3947.642614,5029.877407,7031.587075,7601.168051,5927.879111,4081.819666,2624.766494,839.2610996,0,181.25648,180.900988,339.464772,444.936884,556.265488,311.98206,249.049728,181.398528,0,30.31423229,39.56609758,58.49435701,69.16503031,60.10728459,39.0812073,28.04682987,12.00454843,0,4342.872585,3643.766351,7589.85513,9960.211008,14046.34434,7574.612576,6084.723595,4992.776605,0,42.3125,49.875,77.375,106.375,103,65.25,54,27,0,45.09238923,49.11105724,33.42058669,20.13106941,11.10241901,15.00234407,6.561576,1.016064,0,151.8324082,201.1950963,146.4913974,120.6534611,73.18369273,90.70710369,72.9101804,31.08374443,0,6.971403077,7.23603952,7.07218275,7.062490222,6.86747516,6.932934667,6.918048,6.718464,0,1.165932011,1.582643903,1.218632438,1.097857624,0.742065242,0.868471273,0.779078607,0.444612905,0,167.033561,145.7506541,158.1219819,158.0985874,173.4116585,168.3247239,169.0200999,184.917652,0,1.627403846,1.995,1.611979167,1.688492063,1.271604938,1.45,1.5,1,0,0.035536039,-0.007787753,0.007856318,-0.035923679,0.015800727,0.002828614,-0.015115395,0.014573148,0,670.5194345,-58.02572029,75.2185263,-684.1304059,295.1431699,-15.04370526,-257.8920902,309.4705082,0,1246.859521,-107.9013047,139.8720616,-1272.169703,548.8313274,-27.97441232,-479.5613541,575.4736249,0,0.131350154,-0.01136684,0.014734793,-0.13401645,0.057816521,-0.002946959,-0.05051929,0.060623148,0,5.574042193,-0.482369036,0.625293195,-5.687190485,2.453531393,-0.125058639,-2.143862382,2.572634858,0,30.27828566,-2.620236259,3.396602558,-30.89290898,13.32762147,-0.679320512,-11.64549448,13.97459338,0,3.540865385,-1.98881287,2.414940828,-3.916327663,1.233265533,1.386002219,-2.220044379,1.320543639,0,0.001366771,-3.12E-04,1.64E-04,-5.70E-04,1.95E-04,6.29E-05,-4.20E-04,5.40E-04,0,25.78920902,-2.321028812,1.567052631,-10.85921279,3.643742838,-0.334304561,-7.163669172,11.46187067,0,47.95613541,-4.316052187,2.914001283,-20.19316989,6.7756954,-0.621653607,-13.32114872,21.31383796,0,0.005051929,-4.55E-04,3.07E-04,-0.002127245,7.14E-04,-6.55E-05,-0.001403314,0.002245302,0,0.214386238,-0.019294761,0.013026942,-0.090272865,0.030290511,-0.002779081,-0.059551733,0.095282773,0,1.164549448,-0.10480945,0.070762553,-0.490363635,0.164538537,-0.015096011,-0.323485958,0.517577533,0,0.13618713,-0.079552515,0.050311267,-0.062163931,0.0152255,0.030800049,-0.061667899,0.048909024,0,-0.227916871,0.11975182,-0.417200276,0.142723797,0.045990225,-0.307200093,0.394906202,0,-0.09,0.060763889,-0.421075838,0.141289438,-0.012962963,-0.277777778,0.444444444,0,-0.09,0.060763889,-0.421075838,0.141289438,-0.012962963,-0.277777778,0.444444444,0,-0.09,0.060763889,-0.421075838,0.141289438,-0.012962963,-0.277777778,0.444444444,0,-0.09,0.060763889,-0.421075838,0.141289438,-0.012962963,-0.277777778,0.444444444,0,-0.09,0.060763889,-0.421075838,0.141289438,-0.012962963,-0.277777778,0.444444444,0,-0.584141208,0.369427472,-0.45645966,0.111798379,0.226159765,-0.452817379,0.359131025,0,1.763283632,0.940820702,1.593279874,0.603326428,0.881922287,1.300651208,9.25E-05,0,1.625,1.128472222,1.57627866,0.612997257,0.902777778,1.128472222,0,0,1.625,1.128472222,1.57627866,0.612997257,0.902777778,1.128472222,0,0,1.625,1.128472222,1.57627866,0.612997257,0.902777778,1.128472222,0,0,1.625,1.128472222,1.57627866,0.612997257,0.902777778,1.128472222,0,0,1.625,1.128472222,1.57627866,0.612997257,0.902777778,1.128472222,0,0,2.188730482,0.478049332,1.747594263,0.542061636,0.66191446,1.765105227,0,0,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,47.85390908,23.80195454,37.41143796,47.66640908,5.958301135,23.80195454,-0.25,0.129772204,0.016221526,-1.633579713,75.72511441,9.465639302,3.461687894,0,11.89,12.11011416,-0.159448846,0.061790222,5.205589227,8.7472726,7,25,25,25,7,0,0,0,0,0,19.677726,3.57125256,3.191579358,2.54473899,2.333552793,2.333552793,1.812824763,1.254133619,0.464899437,1.945383925,1.719364226,1.311224379,1.249629723,1.249629723,0.866487835,0.57735301,0.083923071,3.595612306,3.227979241,2.601081114,2.405454588,2.405454588,1.896469961,1.368377689,0.569922726,1.889120504,1.644385963,1.209577427,1.134540686,1.134540686,0.736565279,0.425224355,0.270913902,3.70435032,3.387219397,2.842426826,2.704236987,2.704236987,2.243648668,1.823342829,0.966354442,1.726357108,1.418750942,0.889018129,0.76031856,0.76031856,0.308479981,0.094855811,0.943918427,3.613648314,3.254768858,2.642312746,2.457539916,2.457539916,1.957099657,1.450028521,0.643703622,1.853519995,1.596162629,1.142952992,1.058262671,1.058262671,0.649998988,0.322540888,0.399277246,3.758199523,3.463942957,2.955034526,2.838982085,2.838982085,2.399146568,2.018070404,1.207644823,1.676557494,1.347053394,0.782465777,0.631337262,0.631337262,0.159166486,0.284658169,1.124415117,3.592511384,3.288705391,2.710328052,2.629038207,2.629038207,2.021910218,1.534677028,0.640305431,1.864826249,1.54234601,1.046084893,0.883583662,0.883583662,0.548613506,0.204748666,0.581818182,0,0,0,0,0,4,3,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.560660172,0.353553391,0,0,0.75,0.780330086,0.707106781,0.75,0.780330086,0.707106781,6.621320344,3.560660172,3.664213562,1.280330086,0.707106781,0.530330086,0,0,0.827665043,0.508665739,0.40713484,0.256066017,0.176776695,0.176776695,0,0,6.621320344,3.560660172,3.664213562,1.280330086,0.707106781,0.530330086,0,0,0.827665043,0.508665739,0.40713484,0.256066017,0.176776695,0.176776695,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,56,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,9.124722222,0,4.073680556,0,0,0,0,0,0,0,0,0,0.551597222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.241805556,0,1.330625,0,0,0,0,0,0,0,0,0,0.551597222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.294305556,0,1.378472222,0,0,0,0,0,0,0,0,0,0.551597222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.75,1.71875,0.2,2.294305556,0,0.551597222,6.040535347,0.698402778,0.294305556,2.249444444,0.698402778,0.294305556,2.249444444,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0,0.125,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.21764,1.15221,9.21764,0,0,3.56066,0.44508,3.56066,0,0,0.35334,0.04417,0.35334,0.04417,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.266431544,2.82374789,2.556262566,2.270619836,23.15278265,34.39789514,58.92722016,73.41744515,66.46282671,59.03611572,0.189448582,0.281462171,0.482174367,0.60074122,0.543834773,0.483065409,3.809948078,3.377443751,2.434008174,1.876691828,2.144177152,2.429819883,0.191756937,0.284891675,0.488049468,0.608061011,0.550461182,0.488951368,6.648700044,11.83875197,16.17177764,14.72320287,13.56585183,12.20153287,31.72521615,24.13720728,21.00134079,22.66511845,25.17010226,17.61068002,8,3.111111111,7.2,8,0,6,2.34,1.2358,1.897366596,4.669630297,0,2.828427125,2.381101578,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,3.354,9,5,4,3,0,0,0,0,0,36,2.079441542,2.302585093,1.791759469,1.609437912,1.386294361,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,3,0.666666667,0.375,0.24,0,0,0,0,0,0,0.428571429,0.074074074,0.075,0.06,0,0,0,0,0,0,0.637645503,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,0,146.9243357,4,3.496507561,4.110873864,4.934473933,5.579729826,6.408528791,7.065613364,7.89469085,8.556990661,9.385721231,72.43313008,2.708050201,0,3.931825633,0,5.303304908,0,6.736966958,0,8.201111644,8.467792841,114.1408506,4.390032714,14.44048295,1.805060369,0,0,0,71,5,4.868,32,1.2278,2.116401194,2.918587944,3.465007628,4.405258471,5.484764116,6.138480966,0,0,0,71.2221278,80.92015264,64.93105719,47.51698448,79.38511742,38.05173506,6.237089524,0,0,0,272.5498825,339.0696678,368.8246048,281.8680127,446.8544443,415.4553899,190.8069735,0,0,0,8.919363223,15.03311663,20.64646756,23.86982524,30.68595721,38.01811056,41.24116338,0,0,0,2.081648384,2.75612872,3.303131567,2.751356493,4.142634869,4.397490145,2.729247854,0,0,0,176.77647,329.9402209,459.0385968,595.4077814,730.5638275,921.1211796,1135.113487,0,0,0,2.497185,3.568658161,5.001883782,4.544397236,6.732779766,8.413155912,6.138480966,0,0,0,0.4321989,0.579781655,0.705309239,0.598803461,0.892148095,0.964586557,0.628580451,0,0,0,391.5381323,172.283213,9.44649474,156.457041,-68.84366936,-9.456088369,235.0810913,241.1268824,18.90258311,0.714491936,0.314388194,0.017238281,0.285508064,-0.12562824,-0.017255788,214.5610067,94.41036917,5.176633522,85.73770331,-37.72599852,-5.181890785,0.061439737,0.148349132,0.975886085,9.657336922,547.9951733,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,748.8234176,27.36463809,9.080849384,1.797339331,1.797339331,558.7789879,550.8463865,129.478073,1.01440075,4.315626382,4.2543604,4.336544553,4.466158665,7.63628977,0.709811572,5.020209962,6.639770612,3.078537103,25.09560717,6.09810022,6.420934497,6.785246272,14.29731964,5.763973498,4.720457044,4.717288053,0.747575036,2.359766293,1.267677842,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327565,0.173783531,9.630483387,1.041256612,0.180591252,0.481350622,0.696664756,2.094706304,0.156213696,0.130201999,0.012978944,0.133620008,0.008928359,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639357879,0.616724454,11.75333883,1.399740853,0.81897146,1.314231678,2.500080954,2.607983233,0.661929297,0.594717192,0.062150911,0.473789074,0.093040381,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.63972222,2.847651788,23.78308167,5.550182168,5.814119246,6.238759141,13.1205644,5.455961186,4.29035254,4.269560292,0.666952819,2.183070706,1.129478135,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.63939654,0.965322037,13.51760064,1.845872048,1.445864917,2.020744317,4.02690442,3.030315586,1.135558726,1.053681534,0.125828036,0.741223166,0.202096141,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.639973935,3.993645313,30.37059326,8.397413259,8.922925757,8.990954092,19.04505166,6.999078908,6.4840317,6.564535788,1.086561589,3.059875882,1.848788995,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.115572728,5.418217405,1.312044094,17.13171527,2.780460653,2.757057474,3.04471913,6.676754047,3.808500971,2.036259648,2.022499939,0.261127894,1.313975984,0.429124665,1.22E-06,2.71E-33,1.16E-81,9.60E-152,1.53E-243,0,0,0,0,0,0,0,0,0,0,0,5.099727857,1.100412859,1.021895088,0.706134391,0.15236879,0.513950869,0.471414498,0.463843564,7.222035804,11.94769945,24.90441235,0.559201587,1.44920893,4.294087041,0.602893026,0.532345256,0.790906197,0.11104382,0.365308142,0.141786134,0.125876798,5.429325323,5.195759236,12.00325995,0.686359295,0.632971075,4.626048027,0.808042386,0.734117984,0.749982447,0.131001149,0.423497885,0.254524111,0.23938153,6.168208397,7.727306386,16.63967929,0.62497367,0.917403526,5.080949681,1.088829808,1.010489485,0.70762665,0.151641925,0.510198864,0.461569358,0.453547219,7.180268973,11.76678676,24.53737606,0.561439975,1.425315441,4.768795642,0.896193276,0.820858114,0.735261812,0.138176752,0.449837896,0.312974651,0.299291996,6.485847033,8.923914712,18.91791445,0.602892718,1.062104543,5.158158539,1.136451264,1.057383672,0.701599989,0.154577295,0.525713478,0.502704884,0.496619892,7.351993474,12.51781341,26.06818552,0.552399983,1.525038254,5.094696684,1.0909593,1.013817623,0.707648498,0.151533204,0.5129135,0.463324537,0.456539737,7.199473607,11.82923378,24.66361394,0.561472747,1.432777774 +UMLS0125,L,"2,2-Dimethylhexane",CCCCC(C)(C)C,11551,,"Sandia, UML",[1],C8H18,PubChem,,-4.9,0,0.5524,0.30514576,33.7512,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1516.485775,813.449451,220.131072,21.337344,0,0,3885.475125,5223.921076,7758.63172,8237.925345,5757.609485,2643.963217,652.758633,0,0,167.819552,174.20624,341.883496,485.2951,497.372268,288.562176,141.087744,0,0,29.42500648,40.12790896,63.51436973,73.84555631,57.77506978,29.37664449,9.336871002,0,0,3973.037281,3464.315612,7404.551417,11080.65075,12249.43814,7257.819716,3883.270693,0,0,36.55555556,44.5,75.19444444,102.5833333,94.33333333,55,21,0,0,48.76541633,56.15943233,37.32917321,21.97805471,11.29790904,5.241216,1.016064,0,0,161.8947969,217.6633782,161.6381608,119.3902224,79.96679841,62.95150517,31.08374443,0,0,6.992481333,7.258593333,7.122572833,7.033262319,6.907948167,6.870528,6.718464,0,0,1.226041937,1.671996207,1.323216036,1.070225454,0.802431525,0.699443916,0.444612905,0,0,165.54322,144.3464838,154.2614879,160.5891412,170.1310852,172.8052313,184.917652,0,0,1.523148148,1.854166667,1.566550926,1.486714976,1.310185185,1.30952381,1,0,0,0.032199942,-0.002797727,-0.003697588,-0.018142177,0.001119485,-0.004814924,0.012232959,0,0,645.6853813,6.32E-13,-80.71067267,-403.5533633,-40.35533633,-80.71067267,282.4873543,0,0,1200.679538,0,-150.0849423,-750.4247115,-75.04247115,-150.0849423,525.297298,0,0,0.126485333,2.94E-15,-0.015810667,-0.079053333,-0.007905333,-0.015810667,0.055337333,0,0,5.367596186,1.20E-14,-0.670949523,-3.354747616,-0.335474762,-0.670949523,2.348323331,0,0,29.15686767,-1.14E-13,-3.644608459,-18.22304229,-1.822304229,-3.644608459,12.75612961,0,0,2.314814815,-0.888888889,0.342592593,-1.233796296,0.768518519,-0.939814815,0.793981481,0,0,0.001341664,-1.17E-04,-7.70E-05,-2.63E-04,1.55E-05,-1.15E-04,5.83E-04,0,0,26.90355756,2.63E-14,-1.681472347,-5.848599469,-0.560490782,-1.921682683,13.45177878,0,0,50.0283141,0,-3.126769631,-10.87572046,-1.042256544,-3.573451007,25.01415705,0,0,0.005270222,1.22E-16,-3.29E-04,-0.0011457,-1.10E-04,-3.76E-04,0.002635111,0,0,0.223649841,5.02E-16,-0.013978115,-0.048619531,-0.004659372,-0.015974989,0.111824921,0,0,1.214869486,-4.74E-15,-0.075929343,-0.264102062,-0.025309781,-0.086776392,0.607434743,0,0,0.096450617,-0.037037037,0.007137346,-0.017881106,0.010673868,-0.022376543,0.037808642,0,0,-0.086886076,-0.057416064,-0.195973098,0.011588896,-0.085446892,0.434178552,0,0,9.79E-16,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,0,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,2.32E-14,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,2.24E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,-3.90E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,-0.384,0.074,-0.185391304,0.110666667,-0.232,0.392,0,0,1.52427482,1.164805064,1.242354694,0.820810083,0.919861694,0.002465251,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.909,0.78775,1.196,0.732166667,1.360285714,0,0,0,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,35.83226547,17.82585496,25.82505281,35.72762192,4.46595274,17.82585502,-0.180555556,0.003886333,4.86E-04,-4.440231442,56.95949686,7.119937107,3.233872347,0,11.89,12.11011416,-0.163184458,0.057757171,5.99173565,8.131494617,8,24,24,24,8,0,0,0,0,0,17.491312,3.657350533,3.042364541,2.853663763,2.228199052,2.17548746,1.377970367,1.099508061,0.848898167,2.009882053,1.585950347,1.461105401,1.122580275,1.066605404,0.622488404,0.413035098,0.330410394,3.680932934,3.078435564,2.895085076,2.297520321,2.243749091,1.481273271,1.209688389,0.983826043,1.957719315,1.506815679,1.37483188,1.009371871,0.952794097,0.47545632,0.259521562,0.166688749,3.784792767,3.239284907,3.077882533,2.587690342,2.531187307,1.901999654,1.656579633,1.505179962,1.805580128,1.271648566,1.11426999,0.642452217,0.585704835,0.021015099,0.262056834,0.403334114,3.698311237,3.105160529,2.925676806,2.347875851,2.293440723,1.555731248,1.289020676,1.079174122,1.924629286,1.45612622,1.31921624,0.934416605,0.877571657,0.376614638,0.156092313,0.055506268,3.83554735,3.318282267,3.166469981,2.719383743,2.662420938,2.08581738,1.850629028,1.722040714,1.758439799,1.19828528,1.031595087,0.516627122,0.460560939,0.199076829,0.450448455,0.616550127,3.693337584,3.202528088,2.992569805,2.501366942,2.414575883,1.676969391,1.403180493,1.232251244,1.913934192,1.349624362,1.230310518,0.753942722,0.722583699,0.2174035,7.08E-04,0.124359124,0,0,0,0,0,2,4,2,0,0,0,0,0.083333333,0.166666667,0,0,0,0.083333333,0.166666667,0.577350269,0,0,0,0.577350269,0,0,0,0.741581624,1.093412989,1.020220057,0.741581624,1.093412989,1.020220057,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,30.91733718,41.28122386,61.83467437,7.729334296,30.91733718,1.11E-16,1.39E-17,-29.38944046,4000010.293,500001.2866,12.16144599,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.741388889,0,5.899814815,0,0,0,2.025462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.472222222,0,0,0,1.012731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.476527778,0,0,0,1.012731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.370694444,0.2,1.012731481,5.7528125,0.320601852,0.370694444,1.482777778,0.320601852,0.370694444,1.482777778,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.42549,1.05319,8.42549,0,0,3.78768,0.47346,3.78768,0,0,0.12632,0.01579,0.21232,0.02654,0.25,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.605388542,3.105388542,3.105388542,3.105388542,22.03910002,34.03910002,62.52932501,74.52932501,74.52932501,74.52932501,0.200284263,0.309336409,0.568246423,0.677298569,0.677298569,0.677298569,3.666666667,3.166666667,1.979573959,1.479573959,1.479573959,1.479573959,0.200284263,0.309336409,0.568246423,0.677298569,0.677298569,0.677298569,6.73287657,12.73287657,16.67730206,17.18121457,17.18121457,17.18121457,31.59900002,23.74937501,20.87142917,19.56315834,19.56315834,19.56315834,6.125,2.52,1.8,0,0,0,2.34,1.1272,0.25,3.039342743,2.309401077,0,3.532775529,5.111544834,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,10,11,10,5,0,0,0,0,62,2.197224577,2.397895273,2.397895273,2.48490665,2.397895273,1.791759469,0,0,0,0,4.143134726,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,2,0.666666667,0.5,0.222222222,0,0,0,0,0,0,0.25,0.066666667,0.071428571,0.074074074,0,0,0,0,0,0,0.462169312,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,0,134.567877,4,3.610917913,4.343805422,5.141663557,5.888877958,6.690842277,7.44132039,8.24407127,8.995288991,9.798182591,76.15497037,2.833213344,0,4.043051268,0,5.451038454,0,6.947937069,0,8.479906607,8.727292029,112.1252005,4.671883355,15.53295821,1.941619777,0,0,0,61,7,4.43,36,1.224166127,2.094794846,2.815360989,3.489894013,4.439762854,5.234822833,0,0,0,0,78.54273178,86.43663066,67.8113012,45.08600372,24.51685715,5.318915027,0,0,0,0,289.3400736,361.1040737,354.6330967,300.4382172,288.8958816,162.7178951,0,0,0,0,8.917064339,14.96718785,19.8493851,24.17740647,30.5483984,35.16996875,0,0,0,0,2.17096299,2.906091803,3.130761575,2.946641408,3.180581352,2.327469786,0,0,0,0,174.752874,319.837531,448.5568451,588.4393715,763.6391302,968.0111471,0,0,0,0,2.316970341,3.363889538,4.261770818,4.721366424,5.924555878,5.234822833,0,0,0,0,0.449298446,0.609779712,0.667645828,0.640414087,0.702831927,0.536045858,0,0,0,0,321.0794086,132.0896224,8.183305806,78.87321786,-32.4478409,-4.160308244,242.2061907,164.5374633,12.34361405,0.802793599,0.33026317,0.020460688,0.197206401,-0.081129211,-0.010402003,128.4165528,52.82959141,3.27293465,31.54555064,-12.97759919,-1.663926209,0.072048215,0.151462109,1.219298384,1.257505672,399.9526264,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,944.3601888,30.73044401,9.810983759,1.450520005,1.450520005,381.2891891,275.4956943,155.7912984,1.384011427,2.447435723,1.768363812,3.772133311,3.780722771,6.119384403,0.618575276,4.463030408,6.04063106,10.54903683,10.27695489,18.11070208,7.982806813,8.977707478,8.889325298,6.051727121,1.418965368,2.063211621,5.11E-07,2.09E-34,1.66E-83,2.53E-154,7.43E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375119018,5.574379929,0.709898736,4.143463853,0.980576918,1.563715784,1.875205062,0.452500548,0.215868777,0.048916832,0.014531368,3.60E-09,1.48E-36,1.17E-85,1.78E-156,5.23E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.209548666,5.605536529,2.36556285,4.903279592,3.501264153,2.643424374,2.573215013,1.406741644,0.88926181,0.204144599,0.15142806,3.75E-08,1.54E-35,1.22E-84,1.85E-155,5.45E-248,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212771325,5.989441044,9.821913408,9.727356866,16.71675408,7.508268493,8.276948801,8.101173223,5.511268929,1.291073351,1.83828441,4.55E-07,1.87E-34,1.48E-83,2.25E-154,6.62E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.782358525,5.645931995,3.606852369,5.57100193,5.521412669,3.453069916,3.275590724,2.289802073,1.505279484,0.347648947,0.328921981,8.15E-08,3.34E-35,2.64E-84,4.03E-155,1.18E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389627238,6.255877998,13.3829241,12.50955793,23.66387409,9.832420878,11.87426607,12.11594233,8.260800307,1.94247179,3.009000246,7.45E-07,3.06E-34,2.42E-83,3.68E-154,1.08E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.967193635,5.314903157,6.001497642,7.323199855,9.59201458,5.152280359,5.42735884,4.72040677,3.229093153,0.767965652,0.822998542,2.04E-07,8.36E-35,6.61E-84,1.01E-154,2.96E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.058983373,1.717931863,0.67707967,0.560870229,0.314985968,0.522422968,0.507720656,0.420623378,5.453994906,8.489477195,17.5016104,0.341305344,1.450767002,2.233968092,1.169777309,0.222885384,0.615989943,0.322552082,0.279600997,0.235449416,0.046118985,3.626630785,3.371890284,7.580975225,0.423984915,0.561169398,2.561347011,1.387521326,0.403532162,0.588490653,0.318794497,0.366920236,0.331241845,0.150505751,4.3524005,5.147418981,10.93394196,0.382735979,0.848667832,3.038531807,1.704364152,0.66585856,0.561780313,0.315112129,0.515490141,0.499735204,0.406921799,5.408754519,8.33686256,17.19394188,0.34267047,1.422147145,2.707405743,1.484562455,0.483937736,0.579012021,0.317491942,0.409710374,0.379182186,0.216003492,4.675905934,6.047964516,12.66896764,0.368518031,1.004896052,3.123018961,1.760407985,0.712203533,0.55811744,0.314604045,0.544431012,0.533129594,0.464948749,5.595630479,8.975781441,18.48695561,0.337176161,1.542509355,3.054454474,1.707393034,0.667643312,0.562567389,0.314466511,0.52083036,0.501525612,0.40879914,5.42949082,8.394369934,17.30572364,0.343851083,1.431155113 +UMLS0126,L,"1,3-Dimethylcyclohexane",CC1CCCC(C1)C,11564,Sandia values from biocompoundML paper because source [9] from UML is unknown probably should use Sandia Sensitivity,"Sandia, UML",[9],C8H16,PubChem,,1.1,0,1.1748,1.38015504,32.6229,20.321516,0,0,19,7,12,0,7,0,0,0,0,0,0,0,0,0,1022.041615,1155.133903,1426.565288,1076.576093,387.593305,64.685376,3.048192,0,0,3337.623245,4341.457709,6098.843241,5827.549678,3265.869607,956.2863764,93.25123329,0,0,133.40518,138.195196,257.222816,344.4917,303.619492,135.965952,20.155392,0,0,24.85765486,32.88483172,49.47685225,52.23754716,33.9480202,11.56798372,1.333838715,0,0,3106.572317,2725.031065,5492.556811,7880.085549,7505.941516,3571.172623,554.7529561,0,0,32.52777778,39.25,63.25,77.91666667,60.33333333,24,3,0,0,53.79166395,60.79652121,39.62681356,21.97094067,8.80893875,3.2342688,1.016064,0,0,175.6643813,228.4977741,169.4123122,118.9295853,74.22430925,47.81431882,31.08374443,0,0,7.021325263,7.273431368,7.145078222,7.030442857,6.900443,6.7982976,6.718464,0,0,1.308297624,1.730780617,1.374357007,1.066072391,0.771545914,0.578399186,0.444612905,0,0,163.5038062,143.4226876,152.5710225,160.8180724,170.5895799,178.5586312,184.917652,0,0,1.711988304,2.065789474,1.756944444,1.590136054,1.371212121,1.2,1,0,0,0.039582689,-0.001341146,-0.015546466,-0.012327222,-0.001742791,0.007197649,0.003968631,0,0,535.2391977,4.76E-13,-134.8158881,-284.3877441,-47.95689553,150.2425818,49.29834716,0,0,995.3001436,-8.53E-14,-250.6959008,-528.831154,-89.17789507,279.3824965,91.67238165,0,0,0.104849684,1.51E-15,-0.026409507,-0.055709607,-0.009394427,0.02943149,0.009657208,0,0,4.449454733,4.05E-15,-1.12072732,-2.364121312,-0.398666683,1.24896975,0.409818199,0,0,24.16950873,7.99E-14,-6.087808589,-12.84194449,-2.165563752,6.784423503,2.226138962,0,0,2.631578947,-0.263157895,-0.525623269,-0.944598338,-0.053247153,0.276700523,0.194136657,0,0,0.002083299,-7.06E-05,-4.32E-04,-2.52E-04,-3.96E-05,3.60E-04,0.001322877,0,0,28.17048409,2.51E-14,-3.744885782,-5.803831513,-1.089929444,7.51212909,16.43278239,0,0,52.38421809,-4.49E-15,-6.963775023,-10.79247253,-2.026770343,13.96912482,30.55746055,0,0,0.005518404,7.93E-17,-7.34E-04,-0.001136931,-2.14E-04,0.001471575,0.003219069,0,0,0.234181828,2.13E-16,-0.031131314,-0.048247374,-0.009060606,0.062448487,0.136606066,0,0,1.272079407,4.21E-15,-0.169105794,-0.2620805,-0.049217358,0.339221175,0.742046321,0,0,0.138504155,-0.013850416,-0.014600646,-0.019277517,-0.001210163,0.013835026,0.064712219,0,0,-0.033882125,-0.207289583,-0.120758427,-0.019012578,0.172746386,0.634991342,0,0,8.89E-16,-0.132936508,-0.206025267,-0.038690476,0.266666667,0.583333333,0,0,-8.57E-17,-0.132936508,-0.206025267,-0.038690476,0.266666667,0.583333333,0,0,1.44E-14,-0.132936508,-0.206025267,-0.038690476,0.266666667,0.583333333,0,0,9.11E-16,-0.132936508,-0.206025267,-0.038690476,0.266666667,0.583333333,0,0,3.31E-15,-0.132936508,-0.206025267,-0.038690476,0.266666667,0.583333333,0,0,-0.1,-0.105416667,-0.139183673,-0.008737374,0.099888889,0.467222222,0,0,1.229597127,1.230891115,1.07613135,0.835366212,0.65334395,0.25738199,0,0,1.285714286,1.244047619,1.163265306,0.832792208,0.407142857,0,0,0,1.285714286,1.244047619,1.163265306,0.832792208,0.407142857,0,0,0,1.285714286,1.244047619,1.163265306,0.832792208,0.407142857,0,0,0,1.285714286,1.244047619,1.163265306,0.832792208,0.407142857,0,0,0,1.285714286,1.244047619,1.163265306,0.832792208,0.407142857,0,0,0,1.37,1.0925,1.10122449,0.863636364,0.684,0,0,0,24.614895,11.74659083,17.70814853,24.614895,3.516413571,11.7466246,-7.11E-15,0.071524786,0.010217827,-1.846397858,35.36741839,5.052488342,2.496053708,24.614895,11.74659083,17.70814853,24.614895,3.516413571,11.7466246,-7.11E-15,0.071524786,0.010217827,-1.846397858,35.36741839,5.052488342,2.496053708,24.614895,11.74659083,17.70814853,24.614895,3.516413571,11.7466246,-7.11E-15,0.071524786,0.010217827,-1.846397858,35.36741839,5.052488342,2.496053708,24.614895,11.74659083,17.70814853,24.614895,3.516413571,11.7466246,-7.11E-15,0.071524786,0.010217827,-1.846397858,35.36741839,5.052488342,2.496053708,24.614895,11.74659083,17.70814853,24.614895,3.516413571,11.7466246,-7.11E-15,0.071524786,0.010217827,-1.846397858,35.36741839,5.052488342,2.496053708,24.614895,11.74659083,17.70814853,24.614895,3.516413571,11.7466246,-7.11E-15,0.071524786,0.010217827,-1.846397858,35.36741839,5.052488342,2.496053708,31.65122395,14.1144668,21.52400731,31.6248634,4.517837629,14.1144712,-0.18452381,0.119565522,0.017080789,-1.486723532,63.08847788,9.012639697,2.901176706,0,11.9,12.10010405,-0.163703267,0.043969436,5.882557729,7.895632428,7,19,18,18,6,1,1,0,0,1,13.118484,3.654070868,2.961878717,2.692797761,2.163971157,1.407211911,1.010154434,0.732869898,0.083923071,1.979513556,1.48466777,1.301455562,1.029156198,0.608611649,0.374431327,0.257657191,0.083923071,3.675278003,2.994425545,2.734397571,2.230803658,1.505105098,1.125595494,0.87227568,0.270913902,1.930224776,1.405000108,1.215168311,0.91936484,0.464941106,0.216771399,0.090013197,0.270913902,3.769623985,3.143637494,2.917924989,2.511121,1.90806064,1.592792141,1.410310712,0.943918427,1.788696955,1.17444425,0.954409919,0.564090782,0.017596917,0.322537815,0.4954652,0.943918427,3.690955919,3.018755895,2.765125992,2.279391621,1.575946244,1.208716372,0.970775275,0.399277246,1.899156215,1.354435361,1.159556104,0.84673074,0.368521914,0.110289179,0.023962916,0.399277246,3.816305301,3.219266891,3.006713028,2.638528557,2.08581673,1.794485124,1.633549526,1.207644823,1.745536159,1.104978341,0.871484501,0.442408169,0.189292014,0.518799523,0.715164237,1.207644823,3.714447074,3.116424955,2.772082749,2.382334815,1.665742727,1.310427983,1.14439179,0.591549296,1.890513513,1.245821259,1.103336782,0.720013308,0.234587648,0.017476481,0.211789006,0.591549296,0,0,0,2,0,1,3,1,0,0,0,0,0.102062073,0.102062073,0,0,0,0.068041382,0.068041382,0.288675135,0,0,0,0.288675135,0,0,0,0.40824829,0.433012702,0.40824829,0.370790812,0.331927305,0.272165527,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,4.853371151,3.043676764,2.389628766,1.53125097,0.944977955,0.60069838,0.136082763,0,0.693338736,0.434810966,0.298703596,0.191406371,0.118122244,0.075087298,0.068041382,0,10.25096682,18.32702112,17.35294118,17.56,11.79132695,144.9122251,0.53952457,0.964580059,0.913312693,0.924210526,0.620596155,7.626959218,2.28879,31.885,25.81164286,34.91599912,51.62328572,7.374755103,25.81164286,0.063309915,0.009044274,-1.931799329,26.80913824,3.829876892,2.302119966,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,1,0,3,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.563657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.607013889,0,0,1.292986111,0.580555556,0,0.607013889,0,0,0,0,0,0,0,0,2.309027778,0,4.011574074,0,4.563657407,0,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.277777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.225625,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.309027778,0,1.305555556,0,2.277777778,0,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.28587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.290277778,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.309027778,0,1.399305556,0,2.28587963,0,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.69047619,0.306319444,2.309027778,0.225625,0.949074074,4.612259259,0.384259259,0.309027778,1.74537037,0.384259259,0.309027778,1.74537037,3.5,0.5,0,0,0.44737,0.7,0.43333,0.43333,0.7,0.01404,0.01404,0,0,0.71429,0,0,0.14286,0.14286,0,4.5,0.64286,3.5,0.5,1,0.14286,-2.5,-0.35714,0,0,5.59495,0.79928,6.62679,1.03183,0.1474,2.85095,0.40728,3.39384,0.54289,0.07756,0.02016,0.00288,0.10616,0.01517,0.315789474,7,0,0,0,0,0,0,0.714285714,0.949452015,2.183754832,3.260828171,3.576617645,3.576617645,3.431623566,18.03958829,41.49134181,61.95573525,67.95573525,67.95573525,65.20084775,0.223509467,0.514075352,0.767628016,0.841967673,0.841967673,0.807834775,3.298475498,2.064172682,0.987099342,0.671309869,0.671309869,0.816303948,0.219682511,0.505273291,0.754484596,0.8275514,0.8275514,0.794002929,6.790838447,17.08973949,19.33231201,20.8076436,19.65057255,19.50444389,27.3155423,17.78709831,15.55541888,13.61023202,14.79335177,15.1474069,5.142857143,2.34375,1.5,0,2,0,2.23,0.9433,0,1.850535862,1,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.111,0.108,0.338,0.369,3.335,8,8,8,8,2,0,0,0,0,48,2.197224577,2.397895273,2.48490665,2.63905733,2.772588722,1.609437912,0,0,0,0,4.234106505,1.416666667,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,0,3,4,0.333333333,1,0.444444444,0.1875,0.111111111,0,0,0,0,0,0,0.142857143,0.055555556,0.0375,0.111111111,0,0,0,0,0,0,0.34702381,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,0,114.6354337,3.807354922,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,71.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.388905171,96.09390038,5.057573704,13.67682532,1.953832189,0,0,0,42,5,3.406,30,1.281051588,2.254808579,3.066904949,3.825986133,4.854014819,6.014823744,0,0,0,0,92.07727792,101.2570853,73.58629285,37.3075768,16.25774625,6.111445873,0,0,0,0,325.8807487,413.9643752,385.3068424,300.700566,236.3042733,186.9632441,0,0,0,0,9.36305897,16.17504398,21.6197632,26.46479451,33.01913988,40.41037679,0,0,0,0,2.397154139,3.287853809,3.403697984,3.073542104,2.841246425,2.674268257,0,0,0,0,180.9041876,339.5181964,488.8692345,647.703783,865.1250013,1112.247084,0,0,0,0,2.727837359,4.094129259,5.015200031,5.402812609,5.875179008,6.014823744,0,0,0,0,0.49429836,0.688044458,0.725938016,0.671837236,0.63756331,0.615917951,0,0,0,0,270.4862842,105.8431066,9.048094419,55.88425364,-21.86788522,-4.351249479,214.6020305,127.7109918,13.3993439,0.828770532,0.324303497,0.02772338,0.171229468,-0.067003245,-0.013332237,88.27875404,34.54407162,2.953031442,18.23897392,-7.137033459,-1.420119633,0.145421045,0.224668786,4.272191121,6.210601184,326.3705378,0,1,0,423.2976476,20.57419859,7.508421046,539.9667052,23.23718368,8.143085483,663.7349019,25.76305304,8.722980168,1.85698587,1.816687252,331.2996917,245.15106,115.3064706,1.351410399,2.873209891,2.12608242,3.712701801,3.995698619,6.281368163,0.572032519,3.510268705,3.212110537,3.847999539,12.27548528,11.46019222,7.215865526,8.417714682,6.010222338,1.062051956,0.772010645,1.414137644,0.008396133,3.73E-23,3.20E-65,5.28E-129,1.68E-214,1.033E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0.294725731,3.211922925,0.403828243,4.582254276,4.07256161,0.501443234,0.43891349,1.251904842,0.060579458,0.044526009,0.00995989,5.91E-05,2.63E-25,2.25E-67,3.72E-131,1.19E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,0,0.951086605,3.211935886,1.070036229,5.675642514,5.038610214,1.687289846,1.521723704,1.834349303,0.214371077,0.157087579,0.10378971,6.16E-04,2.74E-24,2.35E-66,3.88E-130,1.24E-215,7.4E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,3.313415468,3.212090089,3.62412386,11.63577705,10.8162119,6.739469082,7.736160481,5.581366524,0.982831216,0.714762456,1.259971183,0.007480803,3.32E-23,2.85E-65,4.70E-129,1.50E-214,9.2E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,1.401657768,3.211952306,1.538299985,6.567839814,5.862680838,2.556180629,2.427108149,2.349630717,0.334977377,0.245026984,0.225445112,0.001338531,5.95E-24,5.09E-66,8.42E-130,2.68E-215,1.63E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,4.239127636,3.212196424,4.691700433,14.83562188,14.06223932,9.053940703,11.16045106,7.754265789,1.37570765,0.998408557,2.062386841,0.012244971,5.44E-23,4.66E-65,7.70E-129,2.45E-214,1.507E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,2.098951041,2.816337847,2.497674507,7.628706238,7.308721849,3.691366666,3.936646981,3.698052866,0.613333894,0.448067974,0.494850005,0.002938064,1.31E-23,1.12E-65,1.85E-129,5.89E-215,3.6E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,3.184728425,1.665368617,0.527461401,0.592225721,0.309688613,0.48546248,0.489082904,0.33856081,5.377558443,7.861985752,16.0370659,0.388338581,1.313106195,2.434727223,1.04929451,0.151887415,0.66963368,0.28859206,0.282368262,0.193565395,0.027864908,3.635909149,3.083924966,7.107867868,0.50445052,0.503798564,2.717706476,1.283057414,0.294073085,0.632784548,0.298744148,0.352297123,0.289960048,0.104828639,4.294836974,4.663490421,9.983752433,0.449176823,0.747085811,3.164587316,1.648962797,0.517424943,0.593622608,0.309317297,0.479257687,0.479490599,0.325756709,5.330975055,7.708937642,15.73998442,0.390433912,1.284504995,2.849953644,1.391735847,0.36031117,0.619285796,0.302419741,0.387745611,0.341353014,0.157576955,4.602000661,5.494710751,11.52584338,0.428928695,0.88667558,3.248347164,1.717143401,0.559147442,0.587974662,0.31081555,0.505336944,0.51996642,0.380609401,5.524638006,8.35431924,16.9978134,0.381961993,1.405912764,3.180679359,1.648412479,0.517925887,0.594851097,0.308286332,0.484019417,0.479216663,0.326421149,5.347017725,7.744183223,15.80672343,0.392276645,1.289657229 +UMLS0127,L,4-methylcyclohexene,CC1CCC=CC1,11572,,UML,[1],C7H12,PubChem,,17.1,0,0.6562,0.43059844,29.741,20.321516,0,0,19,7,12,0,7,0,0,0,0,0,0,0,0,0,1022.041615,1155.133903,1415.474264,1062.436877,395.636137,78.824592,6.096384,0,0,3337.623245,4341.457709,6015.190369,5650.645573,3256.271246,1133.190482,186.5024666,0,0,133.40518,138.195196,256.823648,323.93714,283.863268,156.520512,40.310784,0,0,24.85765486,32.88483172,48.80792084,50.23477704,33.28311289,13.57075384,2.667677429,0,0,3106.572317,2725.031065,5524.351915,7357.127697,6919.393455,4094.130475,1109.505912,0,0,31.77777778,38.91666667,63,73.91666667,55.83333333,26.5,6,0,0,53.79166395,60.79652121,39.31872956,23.09645385,9.649661878,3.427156174,1.016064,0,0,175.6643813,228.4977741,167.0886214,122.8401211,79.4212499,49.26915137,31.08374443,0,0,7.021325263,7.273431368,7.133990222,7.042111739,6.923494341,6.805239652,6.718464,0,0,1.308297624,1.730780617,1.355775579,1.09206037,0.811783241,0.590032776,0.444612905,0,0,163.5038062,143.4226876,153.4542199,159.9375586,168.765694,178.0056728,184.917652,0,0,1.67251462,2.048245614,1.75,1.606884058,1.361788618,1.152173913,1,0,0,0.034276411,0.00308452,-0.010230164,-0.022051348,-0.002305469,0.009947485,0.00441677,0,0,535.2391977,5.47E-13,-90.21262166,-289.0828248,-141.8585092,154.9376625,98.59669431,0,0,995.3001436,-1.14E-13,-167.7542222,-537.561857,-263.7919554,288.1131995,183.3447633,0,0,0.104849684,1.51E-15,-0.017672033,-0.056629341,-0.027789108,0.030351224,0.019314416,0,0,4.449454733,3.83E-15,-0.749939426,-2.403151616,-1.179272777,1.288000054,0.819636398,0,0,24.16950873,7.99E-14,-4.073682862,-13.05395772,-6.405828441,6.996436737,4.452277924,0,0,2.298245614,-0.112573099,0.107417667,-1.486688212,-0.547091413,0.527854725,0.361957525,0,0,0.001804022,1.62E-04,-2.84E-04,-4.79E-04,-5.62E-05,4.32E-04,7.36E-04,0,0,28.17048409,2.88E-14,-2.505906157,-6.284409235,-3.459963638,6.736420108,16.43278239,0,0,52.38421809,-5.98E-15,-4.659839506,-11.68612733,-6.433950131,12.52666085,30.55746055,0,0,0.005518404,7.95E-17,-4.91E-04,-0.001231073,-6.78E-04,0.001319618,0.003219069,0,0,0.234181828,2.02E-16,-0.020831651,-0.052242426,-0.028762751,0.056000002,0.136606066,0,0,1.272079407,4.21E-15,-0.113157857,-0.28378169,-0.156239718,0.304192902,0.742046321,0,0,0.120960295,-0.0059249,0.002983824,-0.032319309,-0.013343693,0.022950205,0.060326254,0,0,0.089989588,-0.157520958,-0.265726924,-0.031169772,0.239741767,0.408048474,0,0,1.02E-15,-0.088955026,-0.223084886,-0.1228223,0.239130435,0.583333333,0,0,-1.14E-16,-0.088955026,-0.223084886,-0.1228223,0.239130435,0.583333333,0,0,1.44E-14,-0.088955026,-0.223084886,-0.1228223,0.239130435,0.583333333,0,0,8.61E-16,-0.088955026,-0.223084886,-0.1228223,0.239130435,0.583333333,0,0,3.31E-15,-0.088955026,-0.223084886,-0.1228223,0.239130435,0.583333333,0,0,-0.048982188,0.024667798,-0.267189401,-0.110314653,0.189733378,0.498727735,0,0,1.12219337,1.318729354,1.308812969,0.83506805,0.337404643,9.60E-05,0,0,1.285714286,1.1875,1.194875776,0.943379791,0.442546584,0,0,0,1.285714286,1.1875,1.194875776,0.943379791,0.442546584,0,0,0,1.285714286,1.1875,1.194875776,0.943379791,0.442546584,0,0,0,1.285714286,1.1875,1.194875776,0.943379791,0.442546584,0,0,0,1.285714286,1.1875,1.194875776,0.943379791,0.442546584,0,0,0,1.339694656,0.948791349,1.345544308,0.94451685,0.468221042,0,0,0,21.85514561,10.9275728,15.99555507,21.85514561,3.122163658,10.92763402,-1.24E-14,0.041583509,0.005940501,-2.226036127,42.5912128,6.084458972,2.626153572,21.85514561,10.9275728,15.99555507,21.85514561,3.122163658,10.92763402,-1.24E-14,0.041583509,0.005940501,-2.226036127,42.5912128,6.084458972,2.626153572,21.85514561,10.9275728,15.99555507,21.85514561,3.122163658,10.92763402,-1.24E-14,0.041583509,0.005940501,-2.226036127,42.5912128,6.084458972,2.626153572,21.85514561,10.9275728,15.99555507,21.85514561,3.122163658,10.92763402,-1.24E-14,0.041583509,0.005940501,-2.226036127,42.5912128,6.084458972,2.626153572,21.85514561,10.9275728,15.99555507,21.85514561,3.122163658,10.92763402,-1.24E-14,0.041583509,0.005940501,-2.226036127,42.5912128,6.084458972,2.626153572,21.85514561,10.9275728,15.99555507,21.85514561,3.122163658,10.92763402,-1.24E-14,0.041583509,0.005940501,-2.226036127,42.5912128,6.084458972,2.626153572,22.8472937,11.3680913,16.69513305,22.76792862,3.252561232,11.36812925,-0.111111111,0.160309706,0.022901387,-1.281453372,75.10526541,10.72932363,3.023223468,0,11.9,12.10010405,-0.140910337,0.059909795,6.021119715,7.854758048,7,19,18,18,6,1,1,0,0,1,13.118484,3.664877269,2.936402518,2.683104061,2.176056391,1.382221251,1.231689465,0.342717822,0.083923071,1.976510315,1.490154702,1.30468675,1.028917133,0.583527959,0.529733496,0.083923071,0.083923071,3.684520119,2.972032666,2.725159647,2.242392503,1.47866712,1.343586459,0.471107941,0.270913902,1.928179858,1.407657825,1.216050398,0.920890797,0.437098865,0.382105299,0.270913902,0.270913902,3.773201831,3.132972864,2.91160343,2.51943629,1.8775957,1.791787481,0.958552948,0.943918427,1.791365929,1.165766423,0.948833374,0.571608391,0.04837618,0.127557952,0.943918427,0.943918427,3.699113341,2.998536853,2.756274447,2.290545233,1.548562802,1.423802233,0.561579714,0.399277246,1.897875129,1.355054661,1.158944624,0.84949559,0.339306308,0.282074839,0.399277246,0.399277246,3.817785525,3.213251716,3.002288355,2.644856083,2.054891644,1.983651284,1.207644823,1.207644823,1.750369929,1.09162472,0.864290061,0.451684336,0.219114533,0.314753011,1.153245834,1.207644823,3.731313857,3.05615491,2.776490443,2.41985373,1.658492875,1.526695149,0.70712645,0.6,1.872811671,1.253565458,1.110088822,0.709902564,0.194197303,0.135561597,0.6,0.6,0,0,0,1,1,1,4,0,0,0,0,0,0.102062073,0.102062073,0,0,0,0.072168784,0.072168784,0.288675135,0,0,0,0.204124145,0,0,0,0.40824829,0.433012702,0.40824829,0.288675135,0.306186218,0.288675135,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,4.905777394,3.050476816,2.296258731,1.518037688,0.99870012,0.660074775,0.144337567,0,0.700825342,0.435782402,0.287032341,0.189754711,0.124837515,0.082509347,0.072168784,0,10.25096682,18.32702112,17.35294118,17.56,11.79132695,144.9122251,0.53952457,0.964580059,0.913312693,0.924210526,0.620596155,7.626959218,2.43289,31.955,25.81164286,34.91599912,51.62328572,7.374755103,25.81164286,0.063309915,0.009044274,-1.931799329,26.80913824,3.829876892,2.302119966,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,3,0,1,0,0,0,0,0,0,0,0,1,0,4,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.939814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,1.067361111,0.870833333,0,0.288541667,0,0,0,0,0,0,0,0,2.221388889,0,5.505462963,0,2.350694444,0,0,0,0,1.58912037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.58912037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.243402778,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.221388889,0,1.325231481,0,2.350694444,0,0,0,0,1.58912037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.350694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.290277778,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.221388889,0,1.418981481,0,2.350694444,0,0,0,0,1.58912037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.66666667,1.666666667,0.290277778,2.350694444,0.053819444,1.325231481,4.04740162,0.174768519,0.350694444,1.144166667,0.174768519,0.350694444,1.144166667,3.5,0.5,0,0,0.44737,0.7,0.43333,0.43333,0.7,0.01404,0.01404,0,0,0.71429,0,0,0.14286,0.14286,0,4.5,0.64286,3.5,0.5,1,0.14286,-2.5,-0.35714,0,0,5.65204,0.80743,6.62679,0.97475,0.13925,2.8406,0.4058,3.39384,0.55324,0.07903,0.02016,0.00288,0.10616,0.01517,0.315789474,7,0,0,0,0,0,0,0.714285714,0.949452015,2.034572366,3.050301855,3.366091329,3.471354487,3.300559092,18.03958829,38.65687495,57.95573525,63.95573525,65.95573525,62.71062276,0.223509467,0.47895647,0.718068245,0.792407902,0.817187788,0.776981029,3.298475498,2.213355148,1.197625658,0.881836184,0.776573026,0.947368421,0.219682511,0.470755719,0.705773393,0.778840197,0.803195798,0.763677465,6.790838447,16.93938967,19.12013832,20.59546991,19.54448571,19.37235383,27.3155423,17.47469193,16.08086204,14.13567519,15.02997571,15.43798769,5.142857143,2.34375,1.5,0,2,0,2.23,0.9433,0,1.850535862,1,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.076,0.353,0.392,3.54,8,8,8,8,2,0,0,0,0,48,2.197224577,2.48490665,2.564949357,2.63905733,2.708050201,1.386294361,0,0,0,0,4.234106505,1.416666667,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,0,3,4,0.333333333,1,0.444444444,0.1875,0.111111111,0,0,0,0,0,0,0.142857143,0.055555556,0.0375,0.111111111,0,0,0,0,0,0,0.34702381,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,0,114.6354337,3.807354922,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,71.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.388905171,96.09390038,5.057573704,13.67682532,1.953832189,0,0,0,42,5,2.96,30,1.280314746,2.243921907,3.056942465,3.783299608,4.784264649,5.546580281,0,0,0,0,91.88751044,98.75144722,75.95911355,40.53261931,16.98430411,5.635680546,0,0,0,0,325.3736645,404.2538434,392.3223366,318.554372,240.1506967,172.4084839,0,0,0,0,9.357235716,16.0715998,21.57152559,26.26117751,32.57922548,37.26449994,0,0,0,0,2.394041041,3.218964267,3.445558809,3.201629158,2.858329795,2.466081171,0,0,0,0,180.8273885,339.8177913,485.6517221,633.2439391,849.9409418,1025.660602,0,0,0,0,2.719856273,4.060386226,5.001312719,5.279579739,5.553036225,5.546580281,0,0,0,0,0.493680202,0.674058306,0.734097439,0.697541877,0.640314132,0.567969821,0,0,0,0,272.4330244,100.8712237,8.360844597,37.07796007,-13.72850892,-2.263750775,235.3550644,114.5997326,10.62459537,0.880204704,0.32590515,0.027013079,0.119795296,-0.044355482,-0.007313959,84.3210136,31.22075176,2.587773243,11.47603592,-4.24912431,-0.700655731,0.154360939,0.22963286,3.431854054,3.148636688,309.5109845,0,1,0,425.4728485,20.6269932,7.52126026,541.9295938,23.2793813,8.152940807,675.4334633,25.98910278,8.773930523,1.821635921,1.788060884,324.4240951,235.6392707,117.8308484,1.376782801,2.753303565,1.999809675,3.688716546,3.820078341,6.188277901,0.619934815,3.428610376,3.262778105,3.192581131,15.39891681,9.892136779,7.366954725,8.190328071,7.613400721,3.01654657,2.475321824,0.806823903,6.02E-05,2.42E-29,1.88E-75,2.82E-143,8.14E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.287872713,3.262548785,0.343847096,5.004823022,3.952375937,0.414597816,1.128758136,1.201280261,0.070768594,0.073815149,0.005682527,4.24E-07,1.71E-31,1.33E-77,1.98E-145,5.73E-235,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.928964228,3.262564557,0.879688837,6.543885584,4.756562625,1.470502571,2.14348749,1.919069084,0.348631128,0.326528965,0.05921631,4.42E-06,1.78E-30,1.38E-76,2.07E-144,5.97E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.236336667,3.262753086,3.00203577,14.55649553,9.384085273,6.812841386,7.607075875,7.011757264,2.721788076,2.244289018,0.718865572,5.37E-05,2.16E-29,1.68E-75,2.51E-143,7.25E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.369053455,3.2625846,1.26108052,7.773387875,5.429828005,2.303195473,2.966759766,2.587307052,0.635409163,0.570523259,0.128625738,9.60E-06,3.87E-30,3.00E-76,4.49E-144,1.30E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.140513378,3.262883204,3.916419567,18.75203733,11.93720499,9.564483466,10.52123848,10.07843076,4.237820006,3.426124233,1.176676836,8.79E-05,3.54E-29,2.74E-75,4.11E-143,1.19E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.067052468,3.105312856,1.848615735,9.992020716,6.796480294,3.632837261,4.560743747,4.105435326,1.202003828,1.155126877,0.290456606,2.17E-05,8.73E-30,6.78E-76,1.01E-143,2.93E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.279851475,1.678405944,0.528502594,0.597775639,0.305901104,0.540005793,0.489659404,0.341982711,5.486760013,8.125374118,16.5214998,0.396663459,1.371647907,2.300973976,1.081531865,0.151072671,0.651173865,0.306072685,0.265460448,0.201839763,0.027599911,3.533578512,2.999580868,6.909115307,0.476760797,0.494900122,2.671096925,1.307474269,0.293965295,0.625178259,0.30601828,0.357858632,0.295944577,0.105087044,4.272536489,4.661952355,9.961130448,0.437767389,0.758890253,3.25364874,1.662452951,0.518417143,0.598700426,0.30590619,0.531391974,0.480323707,0.328974099,5.434518835,7.957629345,16.19628618,0.398050639,1.34068978,2.843735197,1.412740221,0.360531358,0.615926148,0.30598617,0.405699538,0.345960668,0.158413213,4.617006775,5.55205195,11.61747871,0.423889222,0.910073419,3.362588046,1.728772055,0.560343039,0.594968979,0.305885149,0.56766141,0.519726554,0.384720655,5.65170314,8.66605644,17.57511674,0.392453468,1.472108619,3.260547721,1.663838584,0.519276774,0.598962073,0.30564687,0.533619126,0.481097798,0.330109906,5.443663079,7.982144536,16.24289715,0.398443109,1.344826831 +UMLS0128,L,1-methylcyclohexene,CC1=CCCCC1,11574,,"Sandia, UML",[1],C7H12,PubChem,,17.2,0,0.3038,0.09229444,30.4415,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1168.347606,938.408356,684.250059,478.348754,160.526016,18.289152,0,3461.958223,4376.887272,5667.785137,5590.535243,4361.573366,3075.021321,1843.095563,559.5073998,0,160.279036,159.125208,296.687832,377.261968,372.448236,249.09716,186.188544,120.932352,0,26.63610648,34.55010896,48.7938183,52.11632459,43.08272344,30.05967844,20.03172529,8.003032287,0,3846.242925,3210.7269,6654.719106,8862.797105,9238.871444,6095.657421,4611.235353,3328.517736,0,36.52777778,43.16666667,65.91666667,80.66666667,71.33333333,51,39,18,0,44.61329874,48.14991518,27.81780014,17.37793252,12.67129739,13.28746539,5.945408,1.016064,0,150.5199227,198.9494215,134.9472652,103.5284304,80.76987715,85.41725893,68.26279863,31.08374443,0,6.968653739,7.232964,7.063996,6.986332741,6.897189556,6.919365556,6.895872,6.718464,0,1.158091586,1.570459498,1.161757579,0.965117122,0.797828212,0.834991068,0.741915752,0.444612905,0,167.2279533,145.9421318,158.445693,164.1258723,171.0902119,169.3238172,170.7864946,184.917652,0,1.588164251,1.962121212,1.569444444,1.49382716,1.320987654,1.416666667,1.444444444,1,0,0.032479793,-0.005563372,-0.006666306,-0.01174386,0.005232375,0.001316487,-0.008367378,0.009552158,0,589.5388264,-58.58770946,-129.0760474,-236.6394202,84.44869059,-17.39322625,-139.3746682,201.8529677,0,1096.272622,-108.9463475,-240.0224219,-440.0411068,157.0359462,-32.34344692,-259.173147,375.354213,0,0.115486609,-0.01147693,-0.025285112,-0.046356038,0.016542919,-0.003407214,-0.027302541,0.039541611,0,4.900848691,-0.487040864,-1.073011903,-1.967188489,0.702023745,-0.144590256,-1.158624555,1.678007976,0,26.62148787,-2.645613702,-5.828617687,-10.68579909,3.813404125,-0.785416568,-6.29366697,9.114965957,0,2.845410628,-1.257929007,0.358380592,-1.202268431,0.355702583,0.857908003,-1.329395085,0.79489603,0,0.001412165,-2.53E-04,-1.59E-04,-2.17E-04,9.69E-05,3.66E-05,-3.10E-04,5.31E-04,0,25.63212289,-2.663077703,-3.073239224,-4.382211486,1.563864641,-0.483145173,-5.162024748,11.21405376,0,47.66402704,-4.952106706,-5.714819569,-8.148909385,2.908073078,-0.898429081,-9.599005446,20.85301183,0,0.005021157,-5.22E-04,-6.02E-04,-8.58E-04,3.06E-04,-9.46E-05,-0.001011205,0.002196756,0,0.213080378,-0.022138221,-0.025547902,-0.036429416,0.01300044,-0.004016396,-0.042912021,0.093222665,0,1.157455995,-0.120255168,-0.138776612,-0.197885168,0.070618595,-0.021817127,-0.233098777,0.506386998,0,0.123713506,-0.057178591,0.008532871,-0.02226423,0.006587085,0.023830778,-0.049236855,0.044160891,0,-0.179072957,-0.112395927,-0.154003888,0.068615104,0.025895756,-0.219452343,0.375788575,0,-0.103896104,-0.119897959,-0.170965608,0.061011905,-0.018849206,-0.201388889,0.4375,0,-0.103896104,-0.119897959,-0.170965608,0.061011905,-0.018849206,-0.201388889,0.4375,0,-0.103896104,-0.119897959,-0.170965608,0.061011905,-0.018849206,-0.201388889,0.4375,0,-0.103896104,-0.119897959,-0.170965608,0.061011905,-0.018849206,-0.201388889,0.4375,0,-0.103896104,-0.119897959,-0.170965608,0.061011905,-0.018849206,-0.201388889,0.4375,0,-0.462185522,0.068972835,-0.179966044,0.053244671,0.192628749,-0.397990945,0.356960951,0,1.717001922,1.200772292,1.165025936,0.738086643,0.868062476,1.139809105,1.93E-05,0,1.642857143,1.290816327,1.171296296,0.75297619,0.878472222,1.003968254,0,0,1.642857143,1.290816327,1.171296296,0.75297619,0.878472222,1.003968254,0,0,1.642857143,1.290816327,1.171296296,0.75297619,0.878472222,1.003968254,0,0,1.642857143,1.290816327,1.171296296,0.75297619,0.878472222,1.003968254,0,0,1.642857143,1.290816327,1.171296296,0.75297619,0.878472222,1.003968254,0,0,2.069609508,0.797720107,1.181239389,0.692039238,0.733800226,1.718166384,0,0,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,37.67959716,18.74753667,30.09747105,37.54779444,5.363970634,18.74753669,-0.18452381,0.06039553,0.008627933,-1.964788125,26.33453469,3.762076384,2.289616829,0,11.89,12.11009426,-0.164721692,0.055970353,5.126994334,7.491492999,6,22,22,22,6,0,0,0,0,0,17.491312,3.497227179,3.142066486,2.53245952,2.333552793,1.841296227,1.29363444,0.968750627,0.083923071,1.915797261,1.693083946,1.307633915,1.249629723,0.884913646,0.591754776,0.37871251,0.083923071,3.525573413,3.18037295,2.589675666,2.405454588,1.924093632,1.404550849,1.094121287,0.270913902,1.854858694,1.615457648,1.20518793,1.134540686,0.756083105,0.441318657,0.219998352,0.270913902,3.650070152,3.347508359,2.834314736,2.704236987,2.267753967,1.848741653,1.585086196,0.943918427,1.674881991,1.380501006,0.881459793,0.76031856,0.331946346,0.071013279,0.327811355,0.943918427,3.546450579,3.208544763,2.631521609,2.457539916,1.984104616,1.483982621,1.183161214,0.399277246,1.815985774,1.565413162,1.137990084,1.058262671,0.670273055,0.339907473,0.11253238,0.399277246,3.710568778,3.427721511,2.948217832,2.838982085,2.421735294,2.03993089,1.791956841,1.207644823,1.618555556,1.305428883,0.773602861,0.631337262,0.184116439,0.257038413,0.530403117,1.207644823,3.536188267,3.268836324,2.720209556,2.644447344,2.064607439,1.576004797,1.279868996,0.591549296,1.813452291,1.490332163,1.022653816,0.869799456,0.554810153,0.213699945,0.015430171,0.591549296,0,0,0,0,0,3,3,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.204124145,0.288675135,0.204124145,0.204124145,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,6.785416667,0,4.145185185,0,0,0,0.902731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.238472222,0,1.345416667,0,0,0,0.902731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.273472222,0,1.400462963,0,0,0,0.902731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.69047619,0.2,2.273472222,0.2,0.902731481,5.312940139,0.430601852,0.273472222,1.570833333,0.430601852,0.273472222,1.570833333,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.42857,0.14286,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.02591,1.0037,7.02591,0,0,3.27005,0.46715,3.27005,0,0,0.14395,0.02056,0.14395,0.02056,0,6,0,0,0,0,0,0,1,0.886540893,1.327484782,2.521861955,3.087929347,2.653146738,2.338066093,20.39044053,30.53214998,58.00282497,71.02237498,61.02237498,53.77552013,0.195982923,0.293460064,0.557494731,0.682632266,0.586517166,0.516863948,3.637021063,3.196077174,2.001700001,1.435632609,1.870415218,2.185495864,0.19880132,0.297680264,0.565511969,0.692449086,0.594951771,0.524296882,6.634953582,11.92628025,16.71908002,15.01711798,13.98386821,12.2100386,27.76507516,20.80617277,17.57522093,19.15547313,21.36755302,14.27981442,7,4.166666667,6,7,0,6,2.23,1.0949,0.814325285,3.639717277,1.889881575,0,2.381101578,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.039,6,4,3,2,0,0,0,0,0,28,1.945910149,1.945910149,1.609437912,1.386294361,1.098612289,0,0,0,0,0,3.36729583,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,6,1,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,0,129.6283511,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,100.1252005,4.353269587,12.67036528,1.810052182,0,0,0,52,4,4.262,24,1.224818182,2.11142556,2.86815028,3.505596004,4.583764,5.606109701,6.36847156,0,0,0,69.72220731,66.73106956,57.6696265,55.78784931,72.05834205,35.56890227,6.470774688,0,0,0,268.787596,308.3215324,318.4865441,321.2462047,431.4218165,399.5708236,197.9559424,0,0,0,8.893455721,14.97034384,20.0834547,24.28782137,31.83955585,38.73957148,42.78634691,0,0,0,2.059771149,2.597411395,2.89718899,3.046563606,4.095354512,4.294258938,2.83150464,0,0,0,176.6115071,330.5407757,467.50604,591.5953956,766.830421,951.0312158,1177.642808,0,0,0,2.460280303,3.429494663,4.380938342,4.833811803,6.78778652,8.299525207,6.36847156,0,0,0,0.427911136,0.549535126,0.621434888,0.659201804,0.88552205,0.944679607,0.652131488,0,0,0,384.7024194,152.1280071,9.347763553,164.1934093,-64.92918911,-9.846918524,220.5090101,217.0571963,19.19468208,0.700865992,0.277152784,0.017030123,0.299134008,-0.118290549,-0.017939503,211.1615533,83.50242855,5.130948422,90.12507744,-35.63936106,-5.404932503,0.074315115,0.164791783,1.269169969,10.94539636,548.8958287,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,586.8869359,24.22574944,8.372429143,1.797339331,1.797339331,521.6769573,474.2749264,81.91748164,1.099946315,6.368322693,5.789666831,4.136657849,4.466158665,7.63628977,0.709811572,4.462408855,5.691193727,2.603842297,19.56825101,7.346172766,3.228350449,4.423540967,11.38832605,4.946125219,2.93433145,3.453031965,0.410757472,1.952300582,1.267677768,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851943,0.162461632,6.332239363,0.551129504,0.090446133,0.438376387,0.515367778,2.050598107,0.100687104,0.074037153,0.010595825,0.130750194,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690875412,0.561386015,7.766265761,1.01586179,0.410823543,1.07334767,1.913633129,2.476889913,0.420725185,0.380506359,0.037402441,0.443883397,0.093040376,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691156425,2.419213533,18.30947248,6.603912652,2.922996768,4.116429695,10.43220018,4.71058109,2.66945533,3.110589162,0.366846939,1.820026094,1.129478069,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690905269,0.864753012,9.127093947,1.608730229,0.725807525,1.562231669,3.1173111,2.81844267,0.71713644,0.704684404,0.072097838,0.676264037,0.202096129,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691350436,3.327371478,24.73815598,10.46488572,4.487528447,5.632329175,15.25826066,5.884413982,4.018829111,4.874888024,0.595380333,2.465625438,1.848788887,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,2.765215168,4.923310403,1.242251115,11.81922431,2.938777342,1.431166547,2.274519741,5.246753633,3.591554248,1.292043517,1.433204595,0.152023546,1.215712266,0.443599203,1.26E-06,2.80E-33,1.20E-81,9.92E-152,1.58E-243,0,0,0,0,0,0,0,0,0,0,0,5.399567424,1.145243596,0.571116323,0.758800247,0.160940878,0.548336669,0.461434897,0.420600829,7.115927343,9.921668421,20.56927632,0.63820037,1.430372395,4.564541269,0.646523159,0.172572201,0.847854635,0.120090415,0.392766546,0.148333747,0.038945676,5.383636629,3.850366499,9.743277783,0.771781952,0.580045968,4.910239006,0.85315908,0.337751788,0.804805505,0.139835785,0.454022895,0.257366963,0.148341573,6.101149874,6.135813001,13.65187773,0.707208258,0.859731431,5.38025705,1.133725343,0.561916017,0.760363807,0.160223519,0.544445651,0.452287913,0.407295826,7.07589841,9.760044813,20.26348133,0.64054571,1.40402939,5.058190755,0.941520375,0.408362858,0.789346497,0.146927201,0.481598545,0.312958127,0.216308355,6.408073988,7.212448843,15.56530588,0.684019745,1.010865028,5.459607676,1.181052293,0.599717703,0.754050123,0.163120261,0.560523529,0.490445463,0.463297096,7.240377672,10.43060351,21.5380102,0.631075185,1.514266089,5.398490031,1.137025209,0.562535229,0.760559544,0.16018838,0.548100566,0.454781649,0.407785918,7.098050469,9.814676821,20.36569187,0.640839317,1.410668133 +UMLS0129,L,2-Methylhexane,CCCCC(C)C,11582,,"Sandia, UML",[1],C7H16,PubChem,,-4,0,1.657,2.745649,37.4392,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1483.122152,1201.711229,890.151364,796.171492,302.76288,36.578304,0,3947.642614,5029.877407,6806.459662,7099.250819,5648.125411,4306.94708,3126.683726,1119.0148,0,181.25648,180.900988,339.441056,442.541876,495.799312,312.005776,251.444736,241.864704,0,30.31423229,39.56609758,57.48793273,65.15144188,56.10576844,40.08763158,32.0604183,16.00606457,0,4342.872585,3643.766351,7584.388218,10150.98163,12382.08547,7580.079488,5893.952969,6657.035473,0,42.05555556,49.58333333,76.33333333,100.1111111,93.33333333,65,60,36,0,45.09238923,49.11105724,30.89837817,19.07478141,12.36321339,17.69269982,8.41008,1.016064,0,151.8324082,201.1950963,141.801243,112.6865209,78.44618626,95.7099351,86.85232572,31.08374443,0,6.971403077,7.23603952,7.071688667,7.024474222,6.886101556,6.933461689,6.984576,6.718464,0,1.165932011,1.582643903,1.197665265,1.034149871,0.779246784,0.890836257,0.890567175,0.444612905,0,167.033561,145.7506541,158.0080879,161.1266926,171.9734093,168.4462109,163.7209158,184.917652,0,1.617521368,1.983333333,1.590277778,1.589065256,1.296296296,1.444444444,1.666666667,1,0,0.035978133,-0.006702682,-5.56E-04,-0.023706017,0.009164506,0.011105438,-0.026597569,0.01930326,0,670.5194345,-58.02572029,-45.8474827,-460.6239277,191.9863338,106.0223037,-481.3985683,412.6273443,0,1246.859521,-107.9013047,-85.25535183,-856.549863,357.0067858,197.1530011,-895.1811943,767.2981665,0,0.131350154,-0.01136684,-0.008981207,-0.090233065,0.037608805,0.020769041,-0.094302675,0.080830864,0,5.574042193,-0.482369036,-0.38113109,-3.829176421,1.59598644,0.881365646,-4.001876446,3.430179811,0,30.27828566,-2.620236259,-2.070310131,-20.80014709,8.669423672,4.787592177,-21.73825637,18.63279117,0,3.487179487,-1.835963182,1.382642998,-2.524490467,0.394477318,2.650394477,-3.520710059,1.710059172,0,0.001383774,-2.68E-04,-1.16E-05,-3.76E-04,1.27E-04,2.47E-04,-7.39E-04,5.36E-04,0,25.78920902,-2.321028812,-0.95515589,-7.311490916,2.666476858,2.356051194,-13.37218245,11.46187067,0,47.95613541,-4.316052187,-1.776153163,-13.59602957,4.958427581,4.381177803,-24.86614429,21.31383796,0,0.005051929,-4.55E-04,-1.87E-04,-0.001432271,5.22E-04,4.62E-04,-0.002619519,0.002245302,0,0.214386238,-0.019294761,-0.007940231,-0.060780578,0.022166478,0.019585903,-0.111163235,0.095282773,0,1.164549448,-0.10480945,-0.043131461,-0.330161065,0.120408662,0.106390937,-0.603840455,0.517577533,0,0.134122288,-0.073438527,0.028805062,-0.040071277,0.005478852,0.058897655,-0.097797502,0.047501644,0,-0.19375071,-0.008370881,-0.271927269,0.09198379,0.178343752,-0.533917517,0.387492134,0,-0.09,-0.037037037,-0.2835097,0.103395062,0.091358025,-0.518518519,0.444444444,0,-0.09,-0.037037037,-0.2835097,0.103395062,0.091358025,-0.518518519,0.444444444,0,-0.09,-0.037037037,-0.2835097,0.103395062,0.091358025,-0.518518519,0.444444444,0,-0.09,-0.037037037,-0.2835097,0.103395062,0.091358025,-0.518518519,0.444444444,0,-0.09,-0.037037037,-0.2835097,0.103395062,0.091358025,-0.518518519,0.444444444,0,-0.54754902,0.214767157,-0.298766729,0.040849673,0.439133987,-0.729166667,0.354166667,0,1.727684548,1.084849934,1.386610512,0.680708671,0.710031646,1.706004968,0,0,1.625,1.222511574,1.36133157,0.689621914,0.802469136,1.50462963,0,0,1.625,1.222511574,1.36133157,0.689621914,0.802469136,1.50462963,0,0,1.625,1.222511574,1.36133157,0.689621914,0.802469136,1.50462963,0,0,1.625,1.222511574,1.36133157,0.689621914,0.802469136,1.50462963,0,0,1.625,1.222511574,1.36133157,0.689621914,0.802469136,1.50462963,0,0,2.15870098,0.62231924,1.419282991,0.64721201,0.424836601,2.389705882,0,0,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,49.16608976,24.45457266,38.99239413,48.97338142,6.121672678,24.45457266,-0.256944444,6.66E-16,8.33E-17,-27.95603288,28.13912446,3.517390557,2.66972875,0,11.89,12.11011416,-0.164718465,0.055995246,5.749051238,7.649059493,7,25,25,25,7,0,0,0,0,0,19.677726,3.53563143,3.244084744,2.571524722,2.333552793,2.333552793,1.729010799,1.049825983,0.930272334,1.934873803,1.742716603,1.319258135,1.249629723,1.249629723,0.796661299,0.397466728,0.365835021,3.562461002,3.277769689,2.625963664,2.405454588,2.405454588,1.813600416,1.165294468,1.05900151,1.876280062,1.670670664,1.21933619,1.134540686,1.134540686,0.664936838,0.242013658,0.205369926,3.680598535,3.426435801,2.860188687,2.704236987,2.704236987,2.165212408,1.627594413,1.560891682,1.704211162,1.456118324,0.905588564,0.76031856,0.76031856,0.230923741,0.289015115,0.350415709,3.58223573,3.302632688,2.665861445,2.457539916,2.457539916,1.87495387,1.248008524,1.150283289,1.838992329,1.624518621,1.153946055,1.058262671,1.058262671,0.577166797,0.137099727,0.096588544,3.738217315,3.498795116,2.970010819,2.838982085,2.838982085,2.322834187,1.826186331,1.771383615,1.650641827,1.38874006,0.801845208,0.631337262,0.631337262,0.079600261,0.482408586,0.556860324,3.558832738,3.345592379,2.725831247,2.634654398,2.634654398,1.930624674,1.322066015,1.245627897,1.850241512,1.567853699,1.061465701,0.878556837,0.878556837,0.482190769,0.024771883,0.028680321,0,0,0,0,0,4,2,2,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.816496581,0,0,0,0.577350269,0.333333333,0.666666667,0.577350269,0.333333333,0.666666667,6.568914101,3.625897658,3.365043969,1.321367205,0.666666667,0.666666667,0,0,0.821114263,0.51798538,0.420630496,0.264273441,0.166666667,0.166666667,0,0,6.568914101,3.625897658,3.365043969,1.321367205,0.666666667,0.666666667,0,0,0.821114263,0.51798538,0.420630496,0.264273441,0.166666667,0.166666667,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,56,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.120555556,0,2.773148148,0,0,0,1.772962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.280138889,0,1.386574074,0,0,0,0.886481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.280138889,0,1.386574074,0,0,0,0.886481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.708333333,0.2,2.280138889,0.2,0.886481481,6.030246667,0.446851852,0.280138889,2.241111111,0.446851852,0.280138889,2.241111111,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0.25,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.87961,1.10995,8.87961,0,0,3.62588,0.45324,3.62588,0,0,0.28812,0.03601,0.28812,0.03601,0,7,0,0,0,0,0,0,1,0.89049164,1.352030102,2.199687795,2.199687795,2.199687795,1.915038586,23.15278265,35.15278265,57.19188266,57.19188266,57.19188266,49.79100323,0.189448582,0.287639068,0.467974897,0.467974897,0.467974897,0.407416901,3.809948078,3.348409616,2.500751923,2.500751923,2.500751923,2.785401132,0.191756937,0.291143835,0.473676984,0.473676984,0.473676984,0.412381113,6.648700044,12.18716158,13.04145222,13.04145222,13.04145222,9.625661715,31.72521615,23.41346491,25.2115705,25.2115705,25.2115705,21.79577999,8,3.9375,7.2,8,0,6,2.34,1.2358,1.62865057,3.265986324,4,0,1,2.828427125,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,3.31,8,5,4,4,0,0,0,0,0,36,2.079441542,2.197224577,1.791759469,1.609437912,1.609437912,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,2.5,0.666666667,0.25,0.32,0,0,0,0,0,0,0.357142857,0.083333333,0.05,0.08,0,0,0,0,0,0,0.57047619,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,0,146.9243357,4,3.433987204,4.043051268,4.779123493,5.424950017,6.150602768,6.814542897,7.529943371,8.204398418,8.912338567,70.292938,2.708050201,0,3.850147602,0,5.105945474,0,6.408528791,0,7.738488122,8.049746291,114.1408506,4.390032714,14.50192071,1.812740089,0,0,0,74,5,4.77,30,1.2278,2.116942009,2.892507444,3.479983731,4.405708497,5.53224352,6.068060179,0,0,0,71.2221278,74.49919381,61.78741513,53.03174888,93.51446163,48.31318469,6.165537498,0,0,0,272.5498825,326.3003669,344.5032079,304.1038625,473.900847,493.9632619,188.6180318,0,0,0,8.919363223,15.03016952,20.35906012,24.04422866,30.69653004,38.70467445,40.76804386,0,0,0,2.081648384,2.695254639,3.103532047,2.909361266,4.267235108,5.034587882,2.697937863,0,0,0,176.77647,330.1832551,463.1518955,592.510468,730.8960688,900.6223286,1122.091441,0,0,0,2.484883333,3.501190982,4.681629088,4.65245786,6.729748087,9.381488749,6.068060179,0,0,0,0.4321989,0.568411947,0.663965988,0.630835353,0.915226043,1.09615788,0.621369362,0,0,0,405.165314,179.5694069,9.791475302,130.1345197,-57.67566401,-7.449843748,275.0307943,237.2450709,17.24131905,0.756894153,0.335455749,0.018291572,0.243105847,-0.107744595,-0.013917142,216.8849253,96.12347365,5.241375102,69.66098679,-30.87377336,-3.98790012,0.06630743,0.141139486,1.271764293,8.073897967,535.2998338,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,730.8637546,27.03449194,9.007663245,1.558857073,1.537100381,637.051562,548.5130061,127.6554937,1.1614156,4.990396759,4.296822567,4.418750872,4.466158665,7.636292013,0.709812074,5.020209962,6.639720803,3.093919498,23.182,7.17526138,6.313287287,6.074120505,12.39252649,4.615831286,3.987412726,5.844183274,1.906468719,3.348678494,1.267677843,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327215,0.183910687,8.568833001,1.046432751,0.179714311,0.476339346,0.683261464,2.013583349,0.156246655,0.230064712,0.021141123,0.140584998,0.008928359,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639354224,0.643593713,10.5173259,1.472605616,0.810765614,1.262032024,2.360303206,2.308645388,0.621250831,0.913600333,0.147207141,0.546369635,0.093040381,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639677841,2.868255774,21.92146795,6.508253668,5.718125738,5.605157,11.42343353,4.372994842,3.640720842,5.336900076,1.699506224,3.064173674,1.129478136,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.6393886,0.999031657,12.16202988,2.010075477,1.428332995,1.907366449,3.7232647,2.58130284,1.034590975,1.520129861,0.310581542,0.898877842,0.202096141,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.639901293,3.983400489,28.26466251,9.97621362,8.766319821,7.953852919,16.267064,5.609785892,5.398395357,7.908169787,2.776699124,4.502111389,1.848788996,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.121827968,5.498019155,1.382839025,15.31232514,3.172793453,2.750688293,2.846693618,6.100022966,3.023933388,1.825732438,2.843086419,0.661420682,1.668902849,0.434373847,1.23E-06,2.74E-33,1.17E-81,9.71E-152,1.55E-243,0,0,0,0,0,0,0,0,0,0,0,5.439334794,1.530513536,0.573990314,0.721030108,0.202882592,0.603920118,0.562536993,0.425972441,7.543838645,12.32560096,24.64789493,0.581545162,1.592429552,4.634076711,0.946940837,0.171278711,0.805604667,0.164619622,0.438733931,0.215031253,0.038893029,5.752296258,5.344105968,11.84800686,0.708407,0.692658213,4.965754364,1.187467515,0.337476012,0.765057078,0.182949127,0.503550105,0.338350765,0.149478172,6.490697891,7.973236775,16.45392001,0.647585617,0.991379042,5.420554319,1.516917512,0.564627199,0.722538359,0.202199079,0.599764305,0.552569964,0.412437518,7.502099029,12.13961905,24.28438429,0.583807538,1.564771787,5.108436299,1.290866924,0.408826337,0.750343579,0.189606692,0.532820412,0.399941494,0.218388932,6.80812956,9.210515145,18.7145729,0.625515368,1.151150839,5.497775737,1.572817586,0.603118314,0.716442837,0.204961779,0.616944969,0.594120884,0.469418614,7.673711638,12.91140269,25.8002774,0.574664256,1.680484467,5.437349847,1.522605483,0.564985957,0.722577046,0.202341178,0.60350173,0.556867583,0.412565596,7.524941287,12.21121571,24.4136411,0.583865569,1.572934909 +UMLS0130,L,"2,5-Dimethylhexane",CC(C)CCC(C)C,11592,,"Sandia, UML",[1],C8H18,PubChem,,-0.5,0,0.0158,2.50E-04,33.3531,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1362.056143,1135.165085,881.006788,675.105483,478.348754,160.526016,18.289152,3947.642614,5029.877407,6581.332248,6597.333588,5368.371711,4081.819666,3075.021321,1843.095563,559.5073998,181.25648,180.900988,339.41734,440.146868,435.333136,311.98206,249.09716,186.188544,120.932352,30.31423229,39.56609758,56.48150844,61.13785345,52.1042523,39.0812073,30.05967844,20.03172529,8.003032287,4342.872585,3643.766351,7578.921305,10341.75226,10717.8266,7574.612576,6095.657421,4611.235353,3328.517736,40.77777778,48.41666667,75.16666667,92.91666667,83.66666667,62.33333333,51,39,18,45.09238923,49.11105724,28.37616965,18.01849341,13.98423473,15.00234407,13.28746539,5.945408,1.016064,151.8324082,201.1950963,137.1110885,104.7195808,85.21224938,90.70710369,85.41725893,68.26279863,31.08374443,6.971403077,7.23603952,7.071194583,6.986458222,6.910049778,6.932934667,6.919365556,6.895872,6.718464,1.165932011,1.582643903,1.176698093,0.970442118,0.827051624,0.868471273,0.834991068,0.741915752,0.444612905,167.033561,145.7506541,157.8941939,164.1547978,170.1242317,168.3247239,169.3238172,170.7864946,184.917652,1.568376068,1.936666667,1.565972222,1.474867725,1.328042328,1.385185185,1.416666667,1.444444444,1,0.036661319,-0.005562139,-0.008748152,-0.011740312,0.00490429,3.17E-04,0.001313716,-0.008367403,0.009552158,670.5194345,-58.02572029,-166.9134917,-237.1174496,88.82949773,-15.04370526,-15.76007218,-137.5424481,206.3136721,1246.859521,-107.9013047,-310.3827653,-440.9300228,165.1822442,-27.97441232,-29.30652719,-255.7660555,383.6490833,0.131350154,-0.01136684,-0.032697207,-0.04644968,0.017401089,-0.002946959,-0.00308729,-0.026943621,0.040415432,5.574042193,-0.482369036,-1.387555375,-1.971162357,0.738441487,-0.125058639,-0.131013812,-1.14339327,1.715089906,30.27828566,-2.620236259,-7.537222819,-10.70738521,4.011225878,-0.679320512,-0.711669107,-6.210930392,9.316395587,3.017094017,-1.240795529,0.263313609,-1.176035503,0.420118343,-0.055226824,0.848126233,-1.325443787,0.75739645,0.001410051,-2.22E-04,-1.82E-04,-1.86E-04,7.78E-05,7.05E-06,3.65E-05,-3.10E-04,5.31E-04,25.78920902,-2.321028812,-3.47736441,-3.763769041,1.409992027,-0.334304561,-0.437779783,-5.094164744,11.46187067,47.95613541,-4.316052187,-6.46630761,-6.99888925,2.621940384,-0.621653607,-0.8140702,-9.472816871,21.31383796,0.005051929,-4.55E-04,-6.81E-04,-7.37E-04,2.76E-04,-6.55E-05,-8.58E-05,-9.98E-04,0.002245302,0.214386238,-0.019294761,-0.028907404,-0.031288291,0.011721293,-0.002779081,-0.003639273,-0.042347899,0.095282773,1.164549448,-0.10480945,-0.157025475,-0.169958495,0.063670252,-0.015096011,-0.019768586,-0.230034459,0.517577533,0.116042078,-0.049631821,0.0054857,-0.01866723,0.006668545,-0.001227263,0.023559062,-0.049090511,0.042077581,-0.157785505,-0.12925291,-0.132161309,0.055207857,0.004998746,0.025879997,-0.219782033,0.376352011,-0.09,-0.134837963,-0.145943563,0.054673721,-0.012962963,-0.016975309,-0.197530864,0.444444444,-0.09,-0.134837963,-0.145943563,0.054673721,-0.012962963,-0.016975309,-0.197530864,0.444444444,-0.09,-0.134837963,-0.145943563,0.054673721,-0.012962963,-0.016975309,-0.197530864,0.444444444,-0.09,-0.134837963,-0.145943563,0.054673721,-0.012962963,-0.016975309,-0.197530864,0.444444444,-0.09,-0.134837963,-0.145943563,0.054673721,-0.012962963,-0.016975309,-0.197530864,0.444444444,-0.427705382,0.047273371,-0.160866046,0.057466613,-0.010576015,0.203021719,-0.423040604,0.362606232,1.692219763,1.235860156,1.141057762,0.775491998,0.892984997,0.873979217,1.147505828,1.94E-05,1.625,1.316550926,1.14638448,0.78813933,0.902777778,0.877700617,1.00308642,0,1.625,1.316550926,1.14638448,0.78813933,0.902777778,0.877700617,1.00308642,0,1.625,1.316550926,1.14638448,0.78813933,0.902777778,0.877700617,1.00308642,0,1.625,1.316550926,1.14638448,0.78813933,0.902777778,0.877700617,1.00308642,0,1.625,1.316550926,1.14638448,0.78813933,0.902777778,0.877700617,1.00308642,0,2.03470255,0.834366147,1.150849858,0.690509915,0.889990557,0.78641407,1.841359773,0,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,49.17971066,24.49263311,39.41169489,49.03387732,6.129234666,24.49263311,-0.194444444,0.05549221,0.006936526,-2.313210101,31.51694111,3.939617639,2.760420171,0,11.89,12.11011416,-0.164721685,0.05599046,5.126994156,7.569956516,7,25,25,25,7,0,0,0,0,0,19.677726,3.512791118,3.238919284,2.754377525,2.333552793,2.16106297,1.602622042,1.212098241,0.967458465,1.92602284,1.749460495,1.439016878,1.249629723,1.066801236,0.747854632,0.554062797,0.378649273,3.540819883,3.274033784,2.803505181,2.405454588,2.230004045,1.69577801,1.328517454,1.093122251,1.865897482,1.676662806,1.346012258,1.134540686,0.950804492,0.609697056,0.400399929,0.219909271,3.663808076,3.427740613,3.01583014,2.704236987,2.521456068,2.07820745,1.79101269,1.584733213,1.688302405,1.458206375,1.05722802,0.76031856,0.576892714,0.14884779,0.126014232,0.328103809,3.56145617,3.299879996,2.839550007,2.457539916,2.28026614,1.763065027,1.411651868,1.182331103,1.827544674,1.629899281,1.28542041,1.058262671,0.874135771,0.51723375,0.296605772,0.112419936,3.723525777,3.501894309,3.116132114,2.838982085,2.65496015,2.247244052,1.988445773,1.791731238,1.632689995,1.38894938,0.962758478,0.631337262,0.449701075,0.014206762,0.318616961,0.530855554,3.554485372,3.348832867,2.922379464,2.657839583,2.364393205,1.850220107,1.518359463,1.288785188,1.821844405,1.566416066,1.177546527,0.857839583,0.755760656,0.393212957,0.157480166,0.024805111,0,0,0,0,0,3,4,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.144337567,0.288675135,0.204124145,0.144337567,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,6.825046296,0,5.604074074,0,0,0,0.904212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.250324074,0,1.353888889,0,0,0,0.904212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.287361111,0,1.424768519,0,0,0,0.904212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.666666667,0.2,2.287361111,0.2,0.904212963,6.033874213,0.42912037,0.287361111,1.650092593,0.42912037,0.287361111,1.650092593,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.375,0.125,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.40872,1.05109,8.40872,0,0,3.77005,0.47126,3.77005,0,0,0.14395,0.01799,0.14395,0.01799,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.52623491,3.093730583,2.430457026,2.008000925,23.15278265,34.39789514,65.68210766,80.43699516,63.19188266,52.20802404,0.189448582,0.281462171,0.537446507,0.658178972,0.517070141,0.427194272,3.809948078,3.377443751,2.174204808,1.606709135,2.269982693,2.692438793,0.191756937,0.284891675,0.543995078,0.66619862,0.523370433,0.432399463,6.648700044,11.83875197,16.75276226,14.99529819,11.79017873,12.55213632,31.72521615,24.13720728,20.30507436,22.09939553,27.99758443,21.09608714,8,5.142857143,7.2,8,0,7,2.34,1.2358,0.721124785,4.146039495,1.754410643,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.538,7,5,4,3,2,0,0,0,0,36,2.079441542,2.079441542,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,7,1,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,0,146.9243357,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,114.1408506,4.390032714,14.66595917,1.833244896,0,0,0,79,5,4.831,28,1.2278,2.11761443,2.869523731,3.522731356,4.659330025,5.700733816,6.739604562,7.6460672,0,0,71.2221278,68.08752346,60.48242812,62.56281571,83.66926384,88.14618725,43.01500053,7.768893624,0,0,272.5498825,313.605011,324.113785,344.3741487,468.6446156,530.0032674,482.2788943,237.6683987,0,0,8.919363223,15.02844115,20.09547913,24.46743974,32.43406668,39.5739121,46.58145234,51.36982723,0,0,2.081648384,2.634998592,2.924434097,3.20212955,4.347684954,5.046203377,5.177858357,3.399540149,0,0,176.77647,330.4239685,467.7042365,589.9301237,774.4454149,955.5778309,1142.590018,1413.892794,0,0,2.435676667,3.425910754,4.328745309,4.89759239,6.7048841,8.386110038,10.0005416,7.6460672,0,0,0.4321989,0.557170835,0.626552001,0.690477082,0.936577657,1.091762356,1.138840444,0.782957281,0,0,417.6863934,187.2240734,10.19522471,149.9471702,-67.21243603,-9.084440154,267.7392232,254.4365095,19.27966486,0.735838083,0.329832634,0.017960926,0.264161917,-0.118408143,-0.016004057,237.0928159,106.274668,5.787151733,85.11504654,-38.15203458,-5.156633137,0.065561676,0.145381405,0.980442389,9.464141681,567.6335635,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,697.4366738,26.40902637,8.868188725,1.99023833,1.896459864,800.2727231,752.9108926,87.83305507,1.062904961,9.111293266,8.57206768,4.546451998,4.466158665,8.836778877,0.978608361,5.020209962,6.639711035,2.900174803,24.54112878,9.321022415,3.228366089,5.252105494,11.52747078,9.750016298,3.548427425,3.887846315,7.457765018,5.146040259,3.800250312,2.755731928,0.260945109,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.421311435,6.639327146,0.184578564,7.345631963,0.565195848,0.090461646,0.56117669,0.516345165,3.206018704,0.146233275,0.034217053,0.802523222,0.253539163,0.955317836,0.114730901,0.001837924,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.360044669,6.639353507,0.634595672,9.047470715,1.161208758,0.410839064,1.335524754,1.923838833,4.192263275,0.571701187,0.301586084,1.593596027,0.935963547,1.26829292,0.447155927,0.019152065,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,4.738668689,6.639669138,2.697032192,22.84877673,8.363576457,2.923012395,4.900130534,10.55617383,9.225747141,3.24498692,3.468240385,6.849607169,4.734649826,3.531369355,2.520942422,0.23249744,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,2.004455605,6.639387042,0.97448535,10.75260052,1.924056145,0.725823057,1.921477541,3.139485701,4.973070418,0.943640996,0.639299307,2.30511668,1.498324515,1.562636949,0.736716796,0.041600681,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,6.062630571,6.639887047,3.694212814,31.53342808,13.34450521,4.487544146,6.628885491,15.46119872,11.83154466,4.779978768,5.650023847,9.937412178,6.79625955,4.903338635,3.708061929,0.380563701,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,3.145998243,5.8332612,1.431573317,14.39668315,3.73465636,1.472361706,2.797687357,5.267984438,6.514947328,1.66349802,1.419777717,4.255029879,2.550496848,2.648035925,1.438420738,0.09394055,0.05015848,5.68E-20,1.24E-59,5.23E-121,4.25E-204,0.00E+00,0,0,0,0,0,0,0,0,7.376093849,1.09401537,0.5837864,0.814687308,0.120833663,0.561019305,0.465215223,0.432107025,9.053895618,13.0142946,26.77908962,0.722030962,1.458341553,6.419161133,0.592226988,0.177884176,0.892880512,0.082376486,0.424747633,0.135713272,0.03998713,7.189272297,5.048815464,12.91433233,0.839320769,0.600448036,6.813526748,0.799063019,0.345205182,0.856207881,0.100412617,0.478606175,0.247560753,0.150836568,7.957794949,8.072342687,17.90958559,0.784311821,0.877003496,7.35379518,1.082326376,0.574331796,0.81614042,0.12011897,0.557627678,0.455285324,0.418201121,9.010453352,12.80433933,26.38601804,0.724210629,1.431114123,6.983080047,0.887971448,0.417123854,0.842535269,0.107137145,0.502753589,0.30595946,0.220359998,8.288175349,9.483979035,20.35864584,0.763802903,1.029073046,7.445477347,1.130385219,0.613203848,0.810253949,0.123014153,0.571638541,0.496801164,0.476831743,9.189066414,13.67500947,28.0249574,0.715380923,1.545271447,7.379196446,1.085871882,0.575267527,0.816252467,0.120114109,0.56149835,0.458341568,0.419362733,9.040335854,12.88254085,26.53241597,0.724378701,1.439202651 +UMLS0131,L,2-Methylheptane,CCCCCC(C)C,11594,,"Sandia, UML",[1],C8H18,PubChem,,-2.1,0,0.4384,0.19219456,26.3209,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,814.203604,644.794923,450.070322,253.313593,67.647888,6.096384,0,2914.106344,3494.423905,4091.649529,3665.843967,2721.213111,1714.414766,791.2692929,186.5024666,0,125.864664,123.114164,212.42632,257.436012,207.98804,145.10314,82.617408,40.310784,0,22.06875486,27.30703172,35.42523222,34.18644125,26.0541382,17.03260934,8.680011884,2.667677429,0,2979.777961,2471.442353,4710.929395,6158.861568,5049.741717,3570.786562,2060.036303,1109.505912,0,35.75,39.5,52.75,57.5,47.5,35,20,6,0,48.76541633,50.97680359,27.14012013,17.42688981,15.00234407,12.06255205,5.637324,1.016064,0,161.8947969,205.5543474,136.3883176,99.07686397,90.70710369,81.63879838,65.93910774,31.08374443,0,6.992481333,7.242009647,7.080877333,6.957730054,6.932934667,6.909673333,6.884784,6.718464,0,1.226041937,1.606295984,1.180841074,0.923957872,0.868471273,0.811076635,0.723334324,0.444612905,0,165.54322,145.3789619,157.0309798,166.4557181,168.3247239,170.0374553,171.6696919,184.917652,0,1.986111111,2.323529412,1.758333333,1.554054054,1.583333333,1.666666667,1.666666667,1,0,0.045054579,-0.007629605,-0.020787935,0.001772882,0.002983004,-0.001672888,-0.004523679,0.00733093,0,484.264036,-53.80711511,-201.7766817,-26.90355756,-2.45E-13,-1.88E-13,-40.35533633,80.71067267,0,900.5096538,-100.0566282,-375.2123557,-50.0283141,-1.49E-13,-9.24E-14,-75.04247115,150.0849423,0,0.094864,-0.010540444,-0.039526667,-0.005270222,-4.52E-16,-4.59E-16,-0.007905333,0.015810667,0,4.025697139,-0.447299682,-1.677373808,-0.223649841,-1.11E-15,-1.11E-15,-0.335474762,0.670949523,0,21.86765075,-2.429738973,-9.111521147,-1.214869486,-2.40E-14,-2.49E-14,-1.822304229,3.644608459,0,5.069444444,-0.718364198,-1.212962963,-0.198302469,0.064814815,0.293981481,-1.324074074,0.560185185,0,0.002503032,-4.49E-04,-6.93E-04,4.79E-05,9.94E-05,-7.97E-05,-3.77E-04,0.001221822,0,26.90355756,-3.165124418,-6.725889389,-0.727123177,-8.17E-15,-8.97E-15,-3.362944694,13.45177878,0,50.0283141,-5.885684011,-12.50707852,-1.352116597,-4.97E-15,-4.40E-15,-6.253539262,25.01415705,0,0.005270222,-6.20E-04,-0.001317556,-1.42E-04,-1.51E-17,-2.18E-17,-6.59E-04,0.002635111,0,0.223649841,-0.026311746,-0.05591246,-0.00604459,-3.70E-17,-5.29E-17,-0.02795623,0.111824921,0,1.214869486,-0.142925822,-0.303717372,-0.03283431,-7.99E-16,-1.18E-15,-0.151858686,0.607434743,0,0.281635802,-0.042256718,-0.040432099,-0.005359526,0.002160494,0.013999118,-0.110339506,0.093364198,0,-0.179302651,-0.276836696,0.019143074,0.039725209,-0.031825925,-0.150606618,0.488136632,0,-0.117647059,-0.25,-0.027027027,-3.04E-16,-3.33E-16,-0.125,0.5,0,-0.117647059,-0.25,-0.027027027,-9.94E-17,-8.79E-17,-0.125,0.5,0,-0.117647059,-0.25,-0.027027027,-2.86E-15,-4.15E-15,-0.125,0.5,0,-0.117647059,-0.25,-0.027027027,-1.65E-16,-2.36E-16,-0.125,0.5,0,-0.117647059,-0.25,-0.027027027,-6.58E-16,-9.75E-16,-0.125,0.5,0,-0.15004029,-0.143561644,-0.019029989,0.007671233,0.049706458,-0.391780822,0.331506849,0,1.455868032,1.214631295,0.775218228,0.819205292,1.052855322,1.284161349,0.172028906,0,1.5,1.345833333,0.918918919,0.85,0.80952381,0.885416667,0,0,1.5,1.345833333,0.918918919,0.85,0.80952381,0.885416667,0,0,1.5,1.345833333,0.918918919,0.85,0.80952381,0.885416667,0,0,1.5,1.345833333,0.918918919,0.85,0.80952381,0.885416667,0,0,1.5,1.345833333,0.918918919,0.85,0.80952381,0.885416667,0,0,1.479452055,0.880273973,0.781710478,0.880273973,1.077886497,1.956164384,0,0,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,31.27682875,15.44396993,25.9887257,31.01756949,5.169594915,15.44397043,-0.388888889,0.124574688,0.020762448,-1.249709906,18.41195241,3.068658735,1.747800025,0,11.79,12.21003864,-0.306948088,0.113259644,5.043588996,6.867641906,5,17,16,16,4,1,1,0,0,1,13.118484,3.458920783,3.081433849,2.474593995,1.798301595,1.270833524,0.912162299,0.083923071,0.083923071,1.871067874,1.601124015,1.234242683,0.85315218,0.583297216,0.349823653,0.083923071,0.083923071,3.486242029,3.116946261,2.529913706,1.881474931,1.383461819,1.040132512,0.270913902,0.270913902,1.810042582,1.526761479,1.132871809,0.722633833,0.431818797,0.188559346,0.270913902,0.270913902,3.607337672,3.272942385,2.768036719,2.228163834,1.833651535,1.54162827,0.943918427,0.943918427,1.63167727,1.303946671,0.814188514,0.293094176,0.085189605,0.369467173,0.943918427,0.943918427,3.506424851,3.143118662,2.570467833,1.941863518,1.464075869,1.131075451,0.399277246,0.399277246,1.771268192,1.479012186,1.066499307,0.635696325,0.329627854,0.079258848,0.399277246,0.399277246,3.6667978,3.348444081,2.879665477,2.383968123,2.026932228,1.752709359,1.207644823,1.207644823,1.576518823,1.233500967,0.70872011,0.14362648,0.273414305,0.576303946,1.207644823,1.207644823,3.56331855,3.201166553,2.622093931,1.974529291,1.501563956,1.238745386,0.52173913,0.52173913,1.825286888,1.397650368,0.953927062,0.566776652,0.26877056,0.041428646,0.52173913,0.52173913,0,0,1,1,0,1,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.405777394,2.523603362,1.43090366,0.761801681,0.348461713,0.144337567,0,0,0.734296232,0.504720672,0.357725915,0.253933894,0.174230856,0.144337567,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,4,1,0,2,0,0,0,0,0,0,0,0,1,1,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.56,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.389652778,0.334097222,0,0,0.97625,0.290277778,0,0.72375,0,0,0,0,0,0,0,0,2.184027778,3.598194444,3.755972222,0,1.961805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.961805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.389652778,0.334097222,0,0,0.216944444,0.290277778,0,0.334097222,0,0,0,0,0,0,0,0,2.184027778,3.598194444,1.177083333,0,1.961805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.598194444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.389652778,0.334097222,0,0,0.290277778,0.290277778,0,0.389652778,0,0,0,0,0,0,0,0,2.184027778,3.598194444,1.295138889,0,1.961805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.5,1.916666667,0.389652778,3.598194444,0.216944444,1.177083333,4.44741,0.322916667,0.598194444,1.564444444,0.322916667,0.598194444,1.564444444,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.33333,0,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.16595,0.69433,5.31294,1.14699,0.19117,2.34933,0.39156,2.91421,0.56488,0.09415,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.209690973,3.239097918,3.350209029,3.46132014,2.99799514,16.52932501,39.77443751,58.30376252,60.30376252,62.30376252,53.96391252,0.220218789,0.529911443,0.776776061,0.803421891,0.83006772,0.718956609,3.251629167,1.960234029,0.930827083,0.819715972,0.708604861,1.171929861,0.220218789,0.529911443,0.776776061,0.803421891,0.83006772,0.718956609,6.73287657,16.28447751,18.54329237,17.43392015,18.76725349,13.20735349,23.69925001,15.57894792,13.20167153,14.12832153,12.68170487,9.901754865,6,5,5.333333333,6,2,6,2.12,0.911,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,2.661,4,3,2,1,0,0,0,0,0,21,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,0,3.295836866,1.238095238,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.6,4,0.8,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,109.6959078,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,84.09390038,4.671883355,10.83915043,1.806525072,0,0,0,35,3,3.388,18,1.219,2.124655496,2.87026109,3.599440952,4.930369098,5.978086629,7.169405074,0,0,0,72.30904117,64.6414684,60.43324486,69.47631059,69.63408749,36.88897661,7.284574397,0,0,0,274.3286679,309.9824628,311.5229656,381.2510511,437.4092892,418.2391145,222.851955,0,0,0,8.860546952,15.09132023,20.02155858,25.12134335,34.17003774,41.27259223,48.16738989,0,0,0,2.086978642,2.633030145,2.809776862,3.492366966,4.229824878,4.516466754,3.187610016,0,0,0,175.1912326,330.2480674,474.2540474,593.2629008,830.6054913,1017.115495,1325.749553,0,0,0,2.908147059,3.848892297,4.616597368,6.181134853,8.642988481,10.40297177,7.169405074,0,0,0,0.432999265,0.557556943,0.602581451,0.750469978,0.917494976,0.994458414,0.73414708,0,0,0,354.9261424,141.8046153,11.60283628,172.2757127,-68.82978805,-11.96992996,182.6504297,210.6344033,23.57276624,0.673226278,0.268975941,0.022008337,0.326773722,-0.130556802,-0.022704643,187.1177207,74.75965623,6.117036813,90.82407533,-36.28719195,-6.310569281,0.141740147,0.256876213,2.925498362,6.672767062,527.2018551,0,1,0,331.0578085,18.19499405,6.917799096,447.9391783,21.16457366,7.651378443,470.406918,21.68886622,7.777223265,2.274474557,2.274474557,418.6850913,400.7989294,31.24470959,1.044626271,13.40019148,12.82773739,3.603042686,4.466158665,7.71775273,0.728051623,3.591793317,3.914879446,2.830842966,12.94577407,6.43685253,1.02735528,4.032441475,9.057111411,3.896184515,0.529466082,1.534601771,1.598253814,1.550431541,0.017449186,6.94E-04,5.32E-27,7.87E-72,2.25E-138,1.24E-226,0,0,0,0,0,0,0,0,0,0,0,0.301445031,3.914691945,0.184264475,3.920421939,0.048232772,0.084788813,0.413582797,0.242875725,1.712715599,0.036822613,0.100186293,0.085980945,0.074062434,1.23E-04,4.89E-06,3.75E-29,5.55E-74,1.58E-140,8.71E-229,0,0,0,0,0,0,0,0,0,0,0,0.973075264,3.914704874,0.629954714,4.640094862,0.479872777,0.267503382,1.143307203,1.124846654,2.071706289,0.123883519,0.317375688,0.309023168,0.276018499,0.001280673,5.09E-05,3.91E-28,5.78E-73,1.65E-139,9.07E-228,0,0,0,0,0,0,0,0,0,0,0,3.390360553,3.914859001,2.635378735,11.99611196,5.737114814,0.966226391,3.807727152,8.193034361,3.731841864,0.494531611,1.420041203,1.47537522,1.424884026,0.015546911,6.18E-04,4.74E-27,7.01E-72,2.00E-138,1.10E-226,0,0,0,0,0,0,0,0,0,0,0,1.434128364,3.914721275,0.963975853,5.467449117,1.035217733,0.395806391,1.646901076,2.002628451,2.343885722,0.187655976,0.488918203,0.487564408,0.444169621,0.002781791,1.11E-04,8.48E-28,1.26E-72,3.58E-139,1.97E-227,0,0,0,0,0,0,0,0,0,0,0,4.337608177,3.914965322,3.592530585,16.91286411,9.378093652,1.257577606,4.868057209,12.62481777,4.539497412,0.664234574,1.989136839,2.087619419,2.055204989,0.025447997,0.001011965,7.76E-27,1.15E-71,3.28E-138,1.80E-226,0,0,0,0,0,0,0,0,0,0,0,1.924005911,2.866946517,1.343660624,5.894278932,1.764854296,0.413376995,2.601724555,2.782704901,3.021492797,0.261302446,0.801108213,0.699301204,0.689686057,0.004749875,1.89E-04,1.45E-27,2.14E-72,6.12E-139,3.37E-227,0,0,0,0,0,0,0,0,0,0,0,5.449928347,0.787710856,0.368189675,0.825018094,0.119244817,0.517053894,0.554548115,0.444431505,6.605828877,6.589602072,14.77605734,0.73752714,1.516033514,4.731882475,0.292070363,0.079375888,0.927214908,0.057231344,0.389995847,0.076041412,0.020655648,5.103328726,1.780823348,6.993852935,0.890822362,0.486692906,5.016769728,0.489219939,0.194083349,0.880123766,0.08582696,0.43822327,0.213779667,0.123491818,5.700073016,3.522924699,9.699337214,0.820185648,0.775494755,5.432122407,0.775469341,0.361039459,0.826979356,0.118056459,0.513682047,0.537462632,0.427337463,6.568631207,6.45362995,14.5431198,0.740469034,1.478482142,5.143884527,0.576968795,0.245213186,0.862190276,0.096708408,0.460667106,0.297484712,0.197128432,5.966066509,4.370689531,11.06451466,0.793285413,0.955280251,5.505683066,0.826026695,0.390575091,0.819019602,0.122878859,0.527684987,0.609732648,0.500115958,6.722284852,7.020849302,15.51940764,0.728529403,1.637533592,5.475525829,0.773681135,0.360548002,0.828400728,0.117051409,0.521923309,0.53498316,0.426174847,6.609754966,6.489450124,14.62659857,0.742601093,1.483081316 +UMLS0132,L,1-Hexene,CCCCC=C,11597,,"Sandia, UML",[1],C6H12,PubChem,,13,0,1.9262,3.71024644,29.198,17.22793,0,0,16,6,10,0,6,0,0,0,0,0,0,0,0,0,875.745366,842.391485,774.834148,614.484363,421.79189,226.051225,52.492608,4.064256,0,2851.938855,3264.950672,3654.188447,3249.868268,2367.4049,1391.6903,583.2814432,124.3349777,0,112.427736,108.8789,170.918032,202.889964,166.87892,110.712484,55.344384,26.873856,0,21.17952905,25.0799431,30.75076058,29.2916752,22.04859796,13.471682,6.232628859,1.778451619,0,2609.942657,2165.197258,3696.808796,4743.110561,4003.826014,2709.788511,1352.160799,739.6706081,0,40.5,42.25,50,54,46,32,16,4,0,54.73408538,56.15943233,32.28475617,21.18911597,17.57466208,14.12820156,6.561576,1.016064,0,178.2461784,217.6633782,152.2578519,112.064423,98.64187085,86.98064374,72.9101804,31.08374443,0,7.0267335,7.258593333,7.121584667,6.996205655,6.953288333,6.91953025,6.918048,6.718464,0,1.323720566,1.671996207,1.281281691,1.010057765,0.918691582,0.841980125,0.779078607,0.444612905,0,163.121416,144.3464838,154.0336998,163.5555366,166.8260839,169.3617819,169.0200999,184.917652,0,2.53125,2.816666667,2.083333333,1.862068966,1.916666667,2,2,1,0,0.06112864,-0.010659406,-0.02990795,0.003356601,0.009123919,-0.004007315,-0.009780289,0.01131012,0,453.9975338,-47.29140977,-196.7322646,-51.07472255,15.13325112,30.26650225,-45.39975338,68.09963006,0,844.2278004,-87.94039587,-365.8320468,-94.97562754,28.14092668,56.28185336,-84.42278004,126.6341701,0,0.088935,-0.009264062,-0.0385385,-0.010005188,0.0029645,0.005929,-0.0088935,0.01334025,0,3.774091068,-0.393134486,-1.635439463,-0.424585245,0.125803036,0.251606071,-0.377409107,0.56611366,0,20.50092258,-2.135512769,-8.883733119,-2.30635379,0.683364086,1.366728172,-2.050092258,3.075138387,0,7.4375,-1.50390625,-2.46875,-1.07421875,0.71875,1.8125,-1.96875,0.765625,0,0.00382054,-7.11E-04,-0.001246165,1.16E-04,3.80E-04,-2.50E-04,-0.001222536,0.00282753,0,28.37484586,-3.152760651,-8.197177693,-1.761197329,0.63055213,1.891656391,-5.674969172,17.02490752,0,52.76423752,-5.862693058,-15.24300195,-3.275021639,1.172538612,3.517615835,-10.5528475,31.65854251,0,0.005558437,-6.18E-04,-0.001605771,-3.45E-04,1.24E-04,3.71E-04,-0.001111688,0.003335062,0,0.235880692,-0.026208966,-0.068143311,-0.014640871,0.005241793,0.015725379,-0.047176138,0.141528415,0,1.281307661,-0.142367518,-0.370155547,-0.079529441,0.028473504,0.085420511,-0.256261532,0.768784597,0,0.46484375,-0.100260417,-0.102864583,-0.037042026,0.029947917,0.11328125,-0.24609375,0.19140625,0,-0.18600174,-0.326174983,0.030295418,0.099505119,-0.06555544,-0.319990409,0.740086503,0,-0.111111111,-0.288888889,-0.062068966,0.022222222,0.066666667,-0.2,0.6,0,-0.111111111,-0.288888889,-0.062068966,0.022222222,0.066666667,-0.2,0.6,0,-0.111111111,-0.288888889,-0.062068966,0.022222222,0.066666667,-0.2,0.6,0,-0.111111111,-0.288888889,-0.062068966,0.022222222,0.066666667,-0.2,0.6,0,-0.111111111,-0.288888889,-0.062068966,0.022222222,0.066666667,-0.2,0.6,0,-0.215686275,-0.221288515,-0.079687047,0.06442577,0.243697479,-0.529411765,0.411764706,0,1.33775597,1.234060716,0.794906734,0.769357209,1.055085323,1.489746225,0,0,1.333333333,1.333333333,0.965517241,0.833333333,0.75,1,0,0,1.333333333,1.333333333,0.965517241,0.833333333,0.75,1,0,0,1.333333333,1.333333333,0.965517241,0.833333333,0.75,1,0,0,1.333333333,1.333333333,0.965517241,0.833333333,0.75,1,0,0,1.333333333,1.333333333,0.965517241,0.833333333,0.75,1,0,0,1.445378151,0.945378151,0.904085772,0.882352941,0.756302521,2.016806723,0,0,20.45507159,10.2275358,17.10689764,20.45507159,3.409178599,10.22764316,-7.11E-15,1.11E-16,1.85E-17,-22.04208034,17.57227632,2.928712721,1.719793471,20.45507159,10.2275358,17.10689764,20.45507159,3.409178599,10.22764316,-7.11E-15,1.11E-16,1.85E-17,-22.04208034,17.57227632,2.928712721,1.719793471,20.45507159,10.2275358,17.10689764,20.45507159,3.409178599,10.22764316,-7.11E-15,1.11E-16,1.85E-17,-22.04208034,17.57227632,2.928712721,1.719793471,20.45507159,10.2275358,17.10689764,20.45507159,3.409178599,10.22764316,-7.11E-15,1.11E-16,1.85E-17,-22.04208034,17.57227632,2.928712721,1.719793471,20.45507159,10.2275358,17.10689764,20.45507159,3.409178599,10.22764316,-7.11E-15,1.11E-16,1.85E-17,-22.04208034,17.57227632,2.928712721,1.719793471,20.45507159,10.2275358,17.10689764,20.45507159,3.409178599,10.22764316,-7.11E-15,1.11E-16,1.85E-17,-22.04208034,17.57227632,2.928712721,1.719793471,32.6985227,16.09926135,27.78068742,32.36518937,5.394198228,16.09926163,-0.5,1.67E-16,2.78E-17,-21.79880128,15.09608235,2.516013725,1.628661158,0,11.79,12.21003864,-0.306803057,0.113410186,5.065291462,6.953009198,5,15,13,13,3,2,2,0,0,2,10.93207,3.478225918,3.113631935,2.435431431,1.629061439,0.964924317,0.880702308,0.083923071,0.083923071,1.848725124,1.550082828,1.161168607,0.73615055,0.361732739,0.340579076,0.083923071,0.083923071,3.502639563,3.141576011,2.485814003,1.715787555,1.085822076,1.012020186,0.270913902,0.270913902,1.793389557,1.484029823,1.060824261,0.599485824,0.202428229,0.178018289,0.270913902,0.270913902,3.610957912,3.2675261,2.70764092,2.079740848,1.568148295,1.523470719,0.943918427,0.943918427,1.632772187,1.293202104,0.751505396,0.148080927,0.345295195,0.386291185,0.943918427,0.943918427,3.520676744,3.162338536,2.523032488,1.778957544,1.172369805,1.105121541,0.399277246,0.399277246,1.758340659,1.442221267,0.995577481,0.508300495,0.094667745,0.067725538,0.399277246,0.399277246,3.664285536,3.330430817,2.814178568,2.243719329,1.774030351,1.737548156,1.207644823,1.207644823,1.583362147,1.235174985,0.651661677,0.009206699,0.546259991,0.5964083,1.207644823,1.207644823,3.498331687,3.290539273,2.542536999,1.769062923,1.216783116,1.134518332,0.461538462,0.461538462,1.845866142,1.357313309,0.921747066,0.49610999,0.041891935,0.019613119,0.461538462,0.461538462,0,0,2,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,3.983127663,2.132993162,1.154700538,0.574914957,0.23570226,0.083333333,0,0,0.663854611,0.426598632,0.288675135,0.191638319,0.11785113,0.083333333,0,0,8.709139019,15.43918427,14.62745098,14.8,9.992772455,121.8839701,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,1.99098,29.088,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,2,2,0,4,0,0,0,0,0,0,0,0,0,2,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.88194444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.813194444,0.719444444,0,0,0.667361111,0.667361111,0,1.532638889,0,0,0,0,0,0,0,0,0,7.100833333,2.118055556,0,3.781111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.890555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0.359722222,0,0,0.333680556,0.333680556,0,0.359722222,0,0,0,0,0,0,0,0,0,3.550416667,1.059027778,0,1.890555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.550416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0.359722222,0,0,0.333680556,0.333680556,0,0.406597222,0,0,0,0,0,0,0,0,0,3.550416667,1.059027778,0,1.890555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13,2.166666667,0.406597222,3.550416667,0.333680556,1.059027778,4.337678889,0.440972222,0.550416667,2.201666667,0.440972222,0.550416667,2.201666667,3,0.5,0,0,0.45,0.7,0.42,0.42,0.7,0.03,0.03,0,0,0.71429,0,0,0.33333,0,0,4.5,0.75,2.5,0.41667,2,0.33333,-0.5,-0.08333,0,0,3.11275,0.51879,5.31294,2.20019,0.3667,1.78445,0.29741,2.91421,1.12976,0.18829,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,0.333333333,0.954434003,2.155639062,2.5,2.5,2.5,2.125,15.27094405,34.490225,40,40,40,34,0.238608501,0.538909766,0.625,0.625,0.625,0.53125,3.045565997,1.844360938,1.5,1.5,1.5,1.875,0.233502796,0.527378265,0.611626355,0.611626355,0.611626355,0.519882402,6.794779896,14.53870385,14.88575942,14.88575942,14.88575942,10.38575942,23.34095565,18.68383437,18.25,18.25,18.25,13.75,6,5,5.333333333,6,2,6,2.12,0.868,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.131,0.136,0.207,0.294,2.554,4,3,2,1,0,0,0,0,0,21,2.079441542,1.945910149,1.791759469,1.609437912,1.609437912,0,0,0,0,0,3.496507561,1.523809524,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.6,3,0.6,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,107.0594491,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,82.07825032,5.129890645,10.83915043,1.806525072,0,0,0,35,3,3.022,18,1.2166,2.15550338,2.925880877,3.661005681,4.98356708,6.108964496,7.296621486,0,0,0,78.08556488,77.04295297,73.65692911,81.73736804,82.26348551,43.48941882,7.413834413,0,0,0,287.6178363,348.428095,357.1452791,419.8064103,472.8607649,471.0874341,226.8063175,0,0,0,8.862041681,15.39222324,20.52006499,25.62527029,34.59550083,42.38465561,49.02208877,0,0,0,2.157903525,2.882111446,3.121559103,3.748866396,4.453303157,4.964727884,3.244172074,0,0,0,173.6671565,329.0893831,475.1887635,598.0460248,835.6747123,1022.776579,1349.274113,0,0,0,3.51645,4.622266835,5.662691039,7.747163663,10.68128629,12.83193614,7.296621486,0,0,0,0.4465905,0.60733613,0.665542073,0.802125658,0.962083774,1.088098413,0.74717404,0,0,0,270.4641621,121.7231266,12.65760731,181.993346,-81.90659686,-16.60375725,88.47081614,203.6297234,29.26136456,0.597766989,0.269026648,0.02797524,0.402233011,-0.181026053,-0.036696832,122.3735408,55.07454254,5.727029463,82.34425583,-37.05925471,-7.512494629,0.125850081,0.228020393,2.68105128,15.1450123,452.4575081,0,1,0,351.7077712,18.7538735,7.05874221,449.8520058,21.20971489,7.662254162,492.5723386,22.19397077,7.897506763,2.258179632,2.258179632,399.2414396,380.4919189,25.40798688,1.049277054,15.71322598,14.97528791,3.465488042,4.57798827,7.986492119,0.744541849,3.278978886,3.087092225,3.44843919,10.4487165,5.340399271,1.911385148,5.535358693,4.646962029,5.198956249,1.30E-06,2.135447838,0.813923607,1.824834014,8.88E-05,0.981919172,3.53E-12,2.45E-45,3.28E-100,8.47E-177,4.22E-275,0,0,0,0,0,0,0,0,0,0,0.275203392,3.087007217,0.219166372,3.764021233,0.040483128,0.168571771,0.464803032,0.116424914,1.391447078,1.09E-07,0.166603089,0.068309343,0.143074179,6.25E-07,0.006915737,2.49E-14,1.73E-47,2.31E-102,5.96E-179,2.97E-277,0,0,0,0,0,0,0,0,0,0,0.888338008,3.087013147,0.753777079,4.341639256,0.399329343,0.524290617,1.481911543,0.556091839,1.98027719,3.51E-07,0.358677675,0.220503049,0.468497284,6.52E-06,0.072067312,2.59E-13,1.80E-46,2.41E-101,6.21E-178,3.09E-276,0,0,0,0,0,0,0,0,0,0,3.095089902,3.08708298,3.206682795,9.761115429,4.760175948,1.80468198,5.218610482,4.197989136,4.899226435,1.22E-06,1.94069324,0.768276907,1.71555963,7.91E-05,0.874872304,3.15E-12,2.18E-45,2.92E-100,7.54E-177,3.76E-275,0,0,0,0,0,0,0,0,0,0,1.309235701,3.087020609,1.15775285,4.971794147,0.860333646,0.768488328,2.18543953,1.00194928,2.440419678,5.18E-07,0.552827374,0.324979868,0.697193027,1.42E-05,0.156539831,5.63E-13,3.91E-46,5.23E-101,1.35E-177,6.72E-276,0,0,0,0,0,0,0,0,0,0,3.959837022,3.087131042,4.393584108,13.31066069,7.779108448,2.306469602,6.715324744,6.504164394,6.384381961,1.57E-06,2.940811474,0.982933621,2.236601773,1.29E-04,1.43203683,5.15E-12,3.57E-45,4.78E-100,1.23E-176,6.15E-275,0,0,0,0,0,0,0,0,0,0,1.58538157,1.910927553,1.386143838,4.483238149,1.15320102,0.616389962,3.16385978,1.105837089,3.325297585,5.52E-07,0.754010788,0.520139022,1.110354264,1.89E-05,0.209166214,7.52E-13,5.22E-46,6.99E-101,1.80E-177,8.98E-276,0,0,0,0,0,0,0,0,0,0,5.360661088,0.847095519,0.2064615,0.835746618,0.132065281,0.500459709,0.557316844,0.25,6.414218107,5.822654729,13.17441285,0.753619926,1.307776553,4.595040013,0.268904179,0.04053528,0.936906768,0.054828281,0.367673106,0.055998165,0.009636697,4.904479472,1.432786801,6.387352697,0.905360153,0.433307968,4.881885035,0.485990969,0.102757878,0.892380141,0.088836318,0.414987178,0.183270927,0.061928721,5.470633883,2.92414359,8.638575887,0.838570211,0.660186826,5.339869341,0.83144463,0.201961773,0.837853179,0.130457972,0.496578416,0.536922257,0.239221496,6.373275743,5.686175198,12.95612197,0.756779768,1.272722168,5.016765321,0.587873632,0.131992004,0.874514215,0.102477157,0.438242146,0.268313586,0.10217793,5.736630957,3.688991578,9.814896528,0.811771323,0.808733661,5.426422364,0.896579209,0.220691285,0.829259943,0.137014256,0.512837261,0.624277392,0.285648678,6.543692858,6.260648813,13.87805277,0.743889914,1.422763331,5.388525399,0.827031419,0.201021486,0.839781757,0.128889788,0.505672588,0.531233263,0.236999161,6.416578304,5.705940273,13.01836677,0.759672635,1.273905012 +UMLS0133,L,"1,5-hexadiene",C=CCCC=C,11598,,"Sandia, UML",[1],C6H10,PubChem,,33.5,0,-0.0056,3.14E-05,27.9392,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,803.11258,619.564683,443.973938,275.495641,84.835296,9.144576,0,2914.106344,3494.423905,4007.996657,3405.28699,2534.710644,1881.72051,1061.424631,279.7536999,0,125.864664,123.114164,212.027152,236.482284,167.677256,145.901476,123.32736,60.466176,0,22.06875486,27.30703172,34.75630082,31.51473972,23.38646077,18.37047215,12.01662072,4.001516144,0,2979.777961,2471.442353,4742.724499,5667.698821,3940.235805,3507.196353,3137.747111,1664.258868,0,32.5,38,54,54.25,38,31,24,9,0,48.76541633,50.97680359,26.77041933,18.22249068,18.49891408,13.11884005,4.713072,1.016064,0,161.8947969,205.5543474,133.5998886,100.1554997,105.6129435,89.60573856,58.96803508,31.08374443,0,6.992481333,7.242009647,7.067571733,6.955361294,6.986552333,6.947689333,6.85152,6.718464,0,1.226041937,1.606295984,1.158543361,0.926904109,0.974435865,0.874784388,0.66759004,0.444612905,0,165.54322,145.3789619,158.0908166,166.6970241,164.1764919,167.0093502,174.3192839,184.917652,0,1.805555556,2.235294118,1.8,1.595588235,1.583333333,1.476190476,1.333333333,1,0,0.039464444,-0.004186059,-0.0152022,-0.003379639,-0.004406006,0.002692398,-1.24E-04,0.0048733,0,484.264036,-53.80711511,-161.4213453,13.45177878,-80.71067267,-80.71067267,-2.74E-13,121.066009,0,900.5096538,-100.0566282,-300.1698846,25.01415705,-150.0849423,-150.0849423,-1.49E-13,225.1274134,0,0.094864,-0.010540444,-0.031621333,0.002635111,-0.015810667,-0.015810667,-6.81E-16,0.023716,0,4.025697139,-0.447299682,-1.341899046,0.111824921,-0.670949523,-0.670949523,-1.78E-15,1.006424285,0,21.86765075,-2.429738973,-7.289216918,0.607434743,-3.644608459,-3.644608459,-3.55E-14,5.466912688,0,3.111111111,-0.688271605,-0.518518519,-0.12654321,-0.759259259,0.12037037,-0.277777778,0.694444444,0,0.002192469,-2.46E-04,-5.07E-04,-9.94E-05,-1.84E-04,1.28E-04,-6.89E-06,5.41E-04,0,26.90355756,-3.165124418,-5.380711511,0.395640552,-3.362944694,-3.843365365,-1.52E-14,13.45177878,0,50.0283141,-5.885684011,-10.00566282,0.735710501,-6.253539262,-7.146902014,-8.29E-15,25.01415705,0,0.005270222,-6.20E-04,-0.001054044,7.75E-05,-6.59E-04,-7.53E-04,-3.78E-17,0.002635111,0,0.223649841,-0.026311746,-0.044729968,0.003288968,-0.02795623,-0.031949977,-9.87E-17,0.111824921,0,1.214869486,-0.142925822,-0.242973897,0.017865728,-0.151858686,-0.173552784,-1.97E-15,0.607434743,0,0.172839506,-0.040486565,-0.017283951,-0.003721859,-0.031635802,0.005731922,-0.015432099,0.077160494,0,-0.11231117,-0.231127546,-0.045337531,-0.083733706,0.05847719,-0.003142482,0.246971662,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-5.65E-16,0.5,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-1.66E-16,0.5,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-7.18E-15,0.5,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-4.41E-16,0.5,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-1.62E-15,0.5,0,-0.234243697,-0.1,-0.021533613,-0.183035714,0.033163265,-0.089285714,0.446428571,0,1.398348862,1.285837066,1.15119283,1.184761504,0.647024435,0.527256219,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.607142857,1.138392857,1.004464286,1.081473214,0.715561224,0.910714286,0,0,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,23.18733663,11.53811276,18.27367927,23.11326256,3.852210426,11.53813808,-0.111111111,1.11E-16,1.85E-17,-22.04208034,32.04937936,5.341563227,2.080366691,0,11.89,12.11007471,-0.160379043,0.061014257,5.123186858,6.731390504,5,17,16,16,4,1,1,0,0,1,13.118484,3.489144524,3.014912052,2.504383072,1.782561578,1.406975249,0.752169233,0.083923071,0.083923071,1.860497646,1.621651493,1.229175443,0.852171619,0.622414124,0.260696959,0.083923071,0.083923071,3.512714551,3.057830648,2.557249633,1.867645456,1.509042223,0.888243438,0.270913902,0.270913902,1.803408681,1.537703988,1.132347359,0.720700548,0.47943536,0.093646601,0.270913902,0.270913902,3.618949941,3.243979352,2.78443186,2.220702445,1.921270315,1.418282275,0.943918427,0.943918427,1.640660717,1.280475253,0.828427333,0.286568306,0.003665697,0.488360286,0.943918427,0.943918427,3.530218238,3.08934128,2.595977363,1.929323787,1.582344855,0.984772273,0.399277246,0.399277246,1.767495391,1.483314233,1.069004016,0.633028072,0.383319759,0.019847148,0.399277246,0.399277246,3.672201441,3.332552334,2.890842505,2.378633231,2.100399324,1.63963836,1.207644823,1.207644823,1.591633238,1.197304943,0.727877696,0.134833631,0.177407915,0.705843336,1.207644823,1.207644823,3.555702998,3.108286018,2.699018115,1.985426676,1.636728454,1.112316198,0.545454545,0.545454545,1.739053094,1.446146758,0.951716906,0.552227846,0.293108818,0.157502236,0.545454545,0.545454545,0,0,0,2,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.568914101,2.564043477,1.287901102,0.638071187,0.333333333,0.166666667,0,0,0.761485683,0.512808695,0.321975275,0.212690396,0.166666667,0.166666667,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,4,2,0,2,0,0,0,0,0,0,0,0,2,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.632638889,0,0,1.067361111,0.580555556,0,0.632638889,0,0,0,0,0,0,0,0,4.29,0,2.348888889,0,4.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.243402778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.145,0,1.174444444,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.290277778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.145,0,1.174444444,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.316319444,2.180555556,0.243402778,1.174444444,4.206555556,0.325555556,0.180555556,1.302222222,0.325555556,0.180555556,1.302222222,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.33333,0,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.27843,0.71307,5.31294,1.03452,0.17242,2.37132,0.39522,2.91421,0.54289,0.09048,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.879964949,2.419381946,2.419381946,2.419381946,2.067168057,16.52932501,33.83936908,43.54887502,43.54887502,43.54887502,37.20902502,0.220218789,0.450839031,0.580197952,0.580197952,0.580197952,0.49573267,3.251629167,2.289960053,1.750543056,1.750543056,1.750543056,2.102756945,0.220218789,0.450839031,0.580197952,0.580197952,0.580197952,0.49573267,6.73287657,13.50946582,14.05310377,14.05310377,14.05310377,9.826537102,23.69925001,18.09522171,18.48287501,18.48287501,18.48287501,14.25630834,6,5,5.333333333,6,2,6,2.12,0.911,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,2.708,4,3,2,1,0,0,0,0,0,21,1.945910149,1.945910149,1.945910149,1.609437912,1.098612289,0,0,0,0,0,3.433987204,1.428571429,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,109.6959078,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,84.09390038,4.671883355,10.83915043,1.806525072,0,0,0,35,3,3.238,18,1.206601879,2.097843914,2.887491234,3.725427145,5.026556965,5.882604122,7.071035322,0,0,0,71.99254604,64.09021887,64.02820865,86.60189387,75.59440584,30.59613447,7.184624434,0,0,0,272.517385,303.7935848,319.4037138,455.1590438,483.2688738,368.5398018,219.7942548,0,0,0,8.771769262,14.88349017,20.14238279,26.21287513,35.01877602,40.40810753,47.50649626,0,0,0,2.071063457,2.576665238,2.853515839,4.040910112,4.613843898,4.10032601,3.143873555,0,0,0,173.3259487,327.5113297,477.2467913,597.659443,832.2766368,1017.220929,1307.559249,0,0,0,2.79737052,3.930527396,4.784949357,6.313831549,7.665415219,8.102329929,7.071035322,0,0,0,0.429617678,0.545624105,0.611135712,0.862812819,0.997497345,0.907812933,0.724074017,0,0,0,342.0953544,128.3735828,9.913520876,121.266,-45.5058822,-7.20843462,220.8293544,173.8794651,17.1219555,0.738290648,0.277048532,0.021394794,0.261709352,-0.098208195,-0.015556832,158.5137668,59.48335722,4.593542461,56.18997802,-21.08566721,-3.340110029,0.15159456,0.235036811,3.390471574,2.387483809,463.3613545,0,1,0,332.6557461,18.23885265,6.928911429,452.927169,21.28208564,7.679674109,470.4422879,21.6896816,7.777418183,2.183080154,2.183080154,436.2946762,417.6496523,31.332388,1.044642738,13.92471829,13.32964638,3.654561202,4.621615124,8.038676515,0.7393652,4.942047935,4.005241387,2.320814575,13.75092568,6.357515497,1.50184847,3.751708282,4.329992448,8.220255228,0.176508506,1.850013214,3.973825637,0.587303073,0.002296819,0.861063281,5.72E-10,7.33E-41,1.81E-93,8.63E-168,7.93E-264,0,0,0,0,0,0,0,0,0,0,0.414759589,4.000763616,0.19112671,4.10498712,0.052500411,0.122650387,0.595776871,0.06570375,2.106309677,0.001243939,0.114828356,0.221839884,0.045528645,1.62E-05,0.006064539,4.03E-12,5.16E-43,1.28E-95,6.08E-170,5.59E-266,0,0,0,0,0,0,0,0,0,0,1.338875659,4.001062938,0.619380909,4.836819472,0.486449886,0.395489876,1.239955816,0.408251205,2.802558549,0.012956716,0.393414943,0.787191249,0.149449344,1.69E-04,0.063197173,4.20E-11,5.38E-42,1.33E-94,6.33E-169,5.82E-265,0,0,0,0,0,0,0,0,0,0,4.664890587,4.004749806,2.1881511,12.72275992,5.66975022,1.414342754,3.558499492,3.882187601,7.65077732,0.157266435,1.717041086,3.673198345,0.551777463,0.002046461,0.767191881,5.10E-10,6.53E-41,1.61E-93,7.69E-168,7.07E-264,0,0,0,0,0,0,0,0,0,0,1.97325237,4.001450927,0.915282246,5.706522814,1.037627392,0.585364163,1.682168605,0.800139212,3.444333934,0.028141813,0.607103592,1.234822485,0.22276722,3.66E-04,0.137272705,9.12E-11,1.17E-41,2.89E-94,1.38E-168,1.26E-264,0,0,0,0,0,0,0,0,0,0,5.968236847,4.007308397,2.814602736,18.05467747,9.246645613,1.829330998,4.467079069,6.200050735,10.55039526,0.25741854,2.372716492,5.167452749,0.721516394,0.003349517,1.255779872,8.34E-10,1.07E-40,2.64E-93,1.26E-167,1.16E-263,0,0,0,0,0,0,0,0,0,0,2.705154664,3.596567472,1.307680775,7.254260291,1.921347786,0.87568941,2.256575408,1.424120128,3.990495126,0.05251789,0.744920654,1.92793498,0.334920059,6.84E-04,0.256184117,1.70E-10,2.18E-41,5.39E-94,2.57E-168,2.36E-264,0,0,0,0,0,0,0,0,0,0,6.313394921,0.789171368,0.349690439,0.847178935,0.105896965,0.614133084,0.594373361,0.444444419,7.452256729,7.466050032,16.6605871,0.770768403,1.652950864,4.890783639,0.297066203,0.075387745,0.929234822,0.056441724,0.369258023,0.084884627,0.020656248,5.263237586,1.843986821,7.216754245,0.893852232,0.474798898,5.455559926,0.492753138,0.184331871,0.889593313,0.080349204,0.459036033,0.232945654,0.123495406,6.132644936,3.784707954,10.41288199,0.83438997,0.815477093,6.278153354,0.77700995,0.342899478,0.848621259,0.10502884,0.607316142,0.576329817,0.42734988,7.398062782,7.297399437,16.36819021,0.772931889,1.610995838,5.707413157,0.579869667,0.232892753,0.875346544,0.088934671,0.502227642,0.322135044,0.197134161,6.520175577,4.773818371,12.0647655,0.813019816,1.021496847,6.42373271,0.827239667,0.370951128,0.842796796,0.108534239,0.635723027,0.652619204,0.500130489,7.621923505,8.003722892,17.59686827,0.764195194,1.78847272,6.281949577,0.776025759,0.342806769,0.848822393,0.104857263,0.60799933,0.574523011,0.42711883,7.400782106,7.294476414,16.36642599,0.77323359,1.609641171 +UMLS0134,L,3-hexene,CCC=CCC,11601, (trans) reported,UML,[1],C6H12,PubChem,,13.9,0,1.4468,2.09323024,29.5408,15.894344,0,0,14,6,8,0,6,0,0,0,0,0,0,0,0,0,873.713238,962.44143,1061.330262,637.682475,107.017344,5.08032,0,0,0,2789.771366,3458.994341,4439.054761,3448.257756,1228.730375,155.4187222,0,0,0,98.990808,102.184152,172.562136,210.406764,124.125696,33.59232,0,0,0,20.29030324,25.64175448,35.43933477,31.07415091,13.35448353,2.223064524,0,0,0,2240.107353,1985.746518,3580.562204,4864.438004,3074.156902,924.5882601,0,0,0,28.5,34.25,51,51,25,5,0,0,0,62.40808843,68.74581643,44.22209425,21.2560825,5.945408,1.016064,0,0,0,199.2693833,247.0710244,184.9606151,114.9419252,68.26279863,31.08374443,0,0,0,7.070772,7.298868,7.190089,7.0135588,6.895872,6.718464,0,0,0,1.449307374,1.831553891,1.476638949,1.03580503,0.741915752,0.444612905,0,0,0,160.0076681,141.839037,149.1900918,162.1479335,170.7864946,184.917652,0,0,0,2.035714286,2.446428571,2.125,1.7,1.388888889,1,0,0,0,0.042599657,1.89E-05,-0.021477086,-0.010919659,1.77E-04,0.010900741,0,0,0,415.0834594,2.63E-13,-192.7173204,-111.1830695,-14.82440927,111.1830695,0,0,0,771.8654175,2.13E-13,-358.3660867,-206.7496654,-27.56662205,206.7496654,0,0,0,0.081312,1.25E-15,-0.037752,-0.02178,-0.002904,0.02178,0,0,0,3.450597548,-5.55E-17,-1.602063147,-0.9242672,-0.123235627,0.9242672,0,0,0,18.74370065,2.89E-14,-8.702432443,-5.020634102,-0.66941788,5.020634102,0,0,0,2.714285714,0.321428571,-1.153061224,-0.959183673,-0.204081633,0.637755102,0,0,0,0.003042833,1.35E-06,-8.95E-04,-3.64E-04,9.85E-06,0.002180148,0,0,0,29.64881853,1.88E-14,-8.029888352,-3.706102316,-0.823578293,22.2366139,0,0,0,55.13324411,1.52E-14,-14.93192028,-6.891655513,-1.531479003,41.34993308,0,0,0,0.005808,8.92E-17,-0.001573,-7.26E-04,-1.61E-04,0.004356,0,0,0,0.246471253,-3.97E-18,-0.066752631,-0.030808907,-0.006846424,0.18485344,0,0,0,1.33883576,2.06E-15,-0.362601352,-0.16735447,-0.037189882,1.00412682,0,0,0,0.193877551,0.022959184,-0.048044218,-0.031972789,-0.011337868,0.12755102,0,0,0,4.44E-04,-0.294093919,-0.119621634,0.003236337,0.71648637,0,0,0,6.33E-16,-0.270833333,-0.125,-0.027777778,0.75,0,0,0,2.76E-16,-0.270833333,-0.125,-0.027777778,0.75,0,0,0,1.54E-14,-0.270833333,-0.125,-0.027777778,0.75,0,0,0,-1.61E-17,-0.270833333,-0.125,-0.027777778,0.75,0,0,0,1.54E-15,-0.270833333,-0.125,-0.027777778,0.75,0,0,0,0.118421053,-0.247807018,-0.164912281,-0.058479532,0.657894737,0,0,0,1.022176466,1.254065288,1.020847089,0.855690726,0.112823359,0,0,0,1.083333333,1.263888889,1.011111111,0.842592593,0,0,0,0,1.083333333,1.263888889,1.011111111,0.842592593,0,0,0,0,1.083333333,1.263888889,1.011111111,0.842592593,0,0,0,0,1.083333333,1.263888889,1.011111111,0.842592593,0,0,0,0,1.083333333,1.263888889,1.011111111,0.842592593,0,0,0,0,0.940789474,1.247258772,1.077631579,0.864766082,0,0,0,0,16.218912,7.691322909,11.69132291,16.218912,2.703152,7.693125513,-8.88E-16,2.22E-16,3.70E-17,-21.62619203,16.7261622,2.7876937,1.690184455,16.218912,7.691322909,11.69132291,16.218912,2.703152,7.693125513,-8.88E-16,2.22E-16,3.70E-17,-21.62619203,16.7261622,2.7876937,1.690184455,16.218912,7.691322909,11.69132291,16.218912,2.703152,7.693125513,-8.88E-16,2.22E-16,3.70E-17,-21.62619203,16.7261622,2.7876937,1.690184455,16.218912,7.691322909,11.69132291,16.218912,2.703152,7.693125513,-8.88E-16,2.22E-16,3.70E-17,-21.62619203,16.7261622,2.7876937,1.690184455,16.218912,7.691322909,11.69132291,16.218912,2.703152,7.693125513,-8.88E-16,2.22E-16,3.70E-17,-21.62619203,16.7261622,2.7876937,1.690184455,16.218912,7.691322909,11.69132291,16.218912,2.703152,7.693125513,-8.88E-16,2.22E-16,3.70E-17,-21.62619203,16.7261622,2.7876937,1.690184455,20.41925683,8.773303356,13.7601902,20.41925683,3.403209472,8.774152093,-0.111111111,3.33E-16,5.55E-17,-21.38291297,16.85211441,2.808685735,1.69468568,0,11.8,12.2000406,-0.275047159,0.125393045,6.507411101,6.916271118,6,14,12,12,4,2,2,0,0,2,8.745656,3.652770264,2.732532155,2.637748054,1.34343628,0.949935497,0.648139694,0.083923071,0.083923071,1.937045977,1.214178576,1.204666848,0.564841549,0.321114365,0.219176207,0.083923071,0.083923071,3.670755159,2.760499175,2.67597618,1.443083845,1.063332417,0.793869375,0.270913902,0.270913902,1.89277851,1.130709784,1.129630039,0.419295879,0.161222395,0.048396132,0.270913902,0.270913902,3.751607716,2.891173213,2.846919161,1.853556316,1.529944724,1.35179833,0.943918427,0.943918427,1.768132002,0.91865211,0.881335689,0.070778177,0.384695112,0.551157612,0.943918427,0.943918427,3.684093435,2.781531637,2.704336978,1.515242343,1.145577488,0.896535888,0.399277246,0.399277246,1.865103366,1.082564334,1.07710956,0.321525244,0.053265205,0.067913415,0.399277246,0.399277246,3.792163666,2.958935448,2.930904426,2.034410177,1.733502026,1.581442371,1.207644823,1.207644823,1.730827448,0.856931064,0.803313304,0.245578961,0.582287225,0.777716454,1.207644823,1.207644823,3.718129218,2.848492662,2.684878755,1.563843045,1.267843568,1.030236881,0.545454545,0.545454545,1.847451661,1.040795598,1.011512662,0.231058406,0.082038308,0.208083163,0.545454545,0.545454545,0,0,0,4,0,0,2,0,0,0,0,0,0.125,0,0,0,0,0.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,3.723614639,2.316496581,1.433654969,0.883276638,0.54203502,0.333333333,0,0,0.62060244,0.386082763,0.238942495,0.147212773,0.09033917,0.055555556,0,0,8.167311215,13.55134741,12.90196078,13.04,9.194217964,105.5984096,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,1.74498,26.974,21,27,42,7,21,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,36,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,2,2,0,4,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.534722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.532638889,0,0,0.667361111,0.667361111,0,1.532638889,0,0,0,0,0,0,0,0,0,0,2.465277778,0,8.534722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0,0.333680556,0.333680556,0,0.359722222,0,0,0,0,0,0,0,0,0,0,1.232638889,0,2.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0.333680556,0.333680556,0,0.406597222,0,0,0,0,0,0,0,0,0,0,1.232638889,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.406597222,2.180555556,0.333680556,1.232638889,3.577986111,0.267361111,0.180555556,1.069444444,0.267361111,0.180555556,1.069444444,3,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0,0,0,6,1,3,0.5,3,0.5,0,0,0,0,2.8424,0.47373,5,2.1576,0.3596,1.73246,0.28874,3,1.26754,0.21126,-0.086,-0.01433,0,0,0.428571429,6,0,0,0,0,0,0,0.333333333,0.985228136,2.235926351,2.521640636,2.521640636,2.521640636,2.521640636,13.7931939,31.30296891,35.30296891,35.30296891,35.30296891,35.30296891,0.258769712,0.587265016,0.662307741,0.662307741,0.662307741,0.662307741,2.822126786,1.571428571,1.285714286,1.285714286,1.285714286,1.285714286,0.246307034,0.558981588,0.630410159,0.630410159,0.630410159,0.630410159,6.75154531,15.47868105,15.76663106,15.76663106,15.76663106,15.76663106,22.55053414,18.56892228,18.10757661,18.10757661,18.10757661,18.10757661,4.166666667,2.222222222,1.333333333,0,4,0,2.12,0.7594,0,0,0,0,9.125465128,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.115,0.112,0.477,0.52,3.004,6,6,6,6,0,0,0,0,0,36,2.197224577,2.397895273,2.63905733,2.833213344,3.044522438,0,0,0,0,0,4.304065093,2.027777778,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,13,18,3,9.000420062,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,0,94.70299035,3.584962501,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,65.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921172722,80.06260026,5.718757161,11.8125,1.96875,0,0,0,27,3,2.454,24,1.202074622,2.08432327,2.82538533,3.807954152,4.566733754,0,0,0,0,0,89.81747552,99.59552426,59.62612621,21.56880863,4.640093765,0,0,0,0,0,313.7733332,404.1435963,333.0554811,251.8634589,141.9511849,0,0,0,0,0,8.796758583,15.01830624,19.87324445,26.22061776,30.68143632,0,0,0,0,0,2.29268377,3.18363317,3.00624455,2.760584134,2.03042876,0,0,0,0,0,169.0707394,308.8239098,453.4477042,653.4175147,844.4696831,0,0,0,0,0,3.027692968,4.532658881,4.910086631,5.194958705,4.566733754,0,0,0,0,0,0.472162689,0.664956169,0.643425958,0.609524369,0.467633536,0,0,0,0,0,198.6559935,71.80422764,9.164764411,47.70760426,-17.24391808,-3.290051553,150.9483892,89.04814572,12.45481596,0.806352867,0.29145632,0.037200157,0.193647133,-0.069993774,-0.013354455,48.94160526,17.68994785,2.257864333,11.75341703,-4.248273697,-0.810548937,0.169978361,0.231643218,4.478480987,2.170890318,246.3635977,0,1,0,489.9536316,22.13489624,7.883486477,568.2991694,23.83902618,8.283089241,714.3009316,26.72640888,8.93909883,1.21056403,1.019071054,166.5373105,88.56483118,84.63123913,1.880400022,1.967799506,1.046479197,2.907071034,3.413860202,4.857016775,0.422734526,2.55819661,0.463739155,10.79392988,4.513363313,6.672799583,2.461728473,4.676928847,3.924964194,0.12945522,1.11E-18,1.83E-57,5.85E-118,3.59E-200,4.26E-304,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.215020463,0.463654449,0.769188712,0.467834178,0.56002596,0.206595595,0.033889961,0.027643844,9.12E-04,7.81E-21,1.29E-59,4.12E-120,2.53E-202,3.00E-306,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.69331267,0.463660335,2.570496247,0.738165228,1.807766683,0.666915909,0.34570077,0.288070165,0.009501281,8.14E-20,1.35E-58,4.29E-119,2.64E-201,3.13E-305,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.414749045,0.463729935,10.09356514,4.069199924,6.298577594,2.323670718,4.167713511,3.497072433,0.11534227,9.88E-19,1.63E-57,5.21E-118,3.20E-200,3.80E-304,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.021645275,0.463667761,3.879769865,1.088662938,2.66430356,0.982911488,0.748570613,0.625726893,0.020638051,1.77E-19,2.92E-58,9.32E-119,5.73E-201,6.80E-305,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.089318375,0.463777874,13.48545809,6.381010273,8.058377857,2.972894353,6.817762643,5.724191402,0.188798272,1.62E-18,2.67E-57,8.52E-118,5.24E-200,6.22E-304,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.356398773,0.445819096,5.286818521,1.640669507,3.970342712,1.441599476,1.394100202,1.167757942,0.038515603,3.30E-19,5.46E-58,1.74E-118,1.07E-200,1.27E-304,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.818031904,1.701287095,0.235960958,0.484126863,0.453038685,0.54307121,0.485390492,0.285713345,3.755279957,3.923416098,8.408521932,0.405748322,1.314175047,1.085920388,1.018044265,0.041556948,0.506133514,0.474497327,0.193511999,0.175522221,0.00886217,2.145521601,1.192949373,3.384412804,0.470946262,0.37789639,1.34170336,1.257486193,0.109577879,0.495318773,0.464228187,0.295548995,0.266561371,0.061616559,2.708767432,1.971987128,4.865631447,0.439320439,0.623726925,1.79593141,1.680730921,0.230101912,0.484501115,0.453422665,0.529931095,0.473815214,0.271700685,3.706764243,3.818464102,8.219785778,0.40688567,1.275446994,1.469300623,1.376563493,0.143459517,0.491516076,0.460493296,0.354515728,0.318881683,0.105611191,2.989323634,2.430851892,5.71033468,0.428014059,0.779008603,1.888844707,1.767135874,0.254731914,0.482992475,0.451870567,0.586258994,0.523412161,0.332978949,3.910712495,4.269140172,9.030108374,0.402294564,1.442650103,1.795719687,1.682519969,0.230022372,0.484248328,0.453721974,0.52976962,0.475009349,0.271512855,3.708262028,3.821407167,8.22464366,0.406955454,1.276291824 +UMLS0135,L,"1,3-cyclohexadiene",C1CC=CC=C1,11605,,UML,[1],C6H8,PubChem,,21.8,0,0.1504,0.02262016,29.2325,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1007.912141,841.551652,646.827051,450.070322,253.313593,67.647888,6.096384,3399.790734,4147.41404,5005.196641,4672.642312,3728.011456,2721.213111,1714.414766,791.2692929,186.5024666,146.842108,144.889944,255.155828,320.320912,270.87294,207.98804,145.10314,82.617408,40.310784,25.74688067,32.32302034,43.11292237,43.20797011,35.07566706,26.0541382,17.03260934,8.680011884,2.667677429,3476.407621,2904.481805,5635.131594,7637.816723,6528.696872,5049.741717,3570.786562,2060.036303,1109.505912,40,44.75,62,69.75,59.5,47.5,35,20,6,48.76541633,51.7541979,27.99755947,18.29460113,16.585309,15.00234407,12.06255205,5.637324,1.016064,161.8947969,207.370702,139.03324,101.5791807,95.59003733,90.70710369,81.63879838,65.93910774,31.08374443,6.992481333,7.2444972,7.087661889,6.963498087,6.94546,6.932934667,6.909673333,6.884784,6.718464,1.226041937,1.616151017,1.197581177,0.939303698,0.899376078,0.868471273,0.811076635,0.723334324,0.444612905,165.54322,145.2240902,156.5314332,166.039494,167.4024839,168.3247239,170.0374553,171.6696919,184.917652,1.904761905,2.2375,1.722222222,1.516304348,1.525641026,1.583333333,1.666666667,1.666666667,1,0.049280704,-0.007614202,-0.022845849,0.001606243,0.001311171,0.001858518,-0.001760597,-0.004526531,0.007330894,564.9747087,-53.80711511,-242.132018,-26.90355756,-2.74E-13,-2.45E-13,-1.88E-13,-40.35533633,80.71067267,1050.594596,-100.0566282,-450.2548269,-50.0283141,1.42E-13,1.42E-13,8.53E-14,-75.04247115,150.0849423,0.110674667,-0.010540444,-0.047432,-0.005270222,-4.45E-16,-4.52E-16,-4.59E-16,-0.007905333,0.015810667,4.696646663,-0.447299682,-2.01284857,-0.223649841,-2.36E-15,-2.58E-15,-2.14E-15,-0.335474762,0.670949523,25.51225921,-2.429738973,-10.93382538,-1.214869486,-2.44E-15,-6.00E-15,-6.00E-15,-1.822304229,3.644608459,5.285714286,-0.617346939,-1.275510204,-0.137755102,-0.102040816,0.020408163,0.285714286,-1.306122449,0.489795918,0.0023467,-3.81E-04,-6.35E-04,3.49E-05,3.36E-05,6.20E-05,-8.38E-05,-3.77E-04,0.001221816,26.90355756,-2.690355756,-6.725889389,-0.584859947,-7.01E-15,-8.17E-15,-8.97E-15,-3.362944694,13.45177878,50.0283141,-5.00283141,-12.50707852,-1.087572046,3.64E-15,4.74E-15,4.06E-15,-6.253539262,25.01415705,0.005270222,-5.27E-04,-0.001317556,-1.15E-04,-1.14E-17,-1.51E-17,-2.18E-17,-6.59E-04,0.002635111,0.223649841,-0.022364984,-0.05591246,-0.004861953,-6.05E-17,-8.60E-17,-1.02E-16,-0.02795623,0.111824921,1.214869486,-0.121486949,-0.303717372,-0.026410206,-6.26E-17,-2.00E-16,-2.85E-16,-0.151858686,0.607434743,0.25170068,-0.030867347,-0.035430839,-0.002994676,-0.002616431,6.80E-04,0.013605442,-0.108843537,0.081632653,-0.162232106,-0.270425217,0.01487976,0.014326402,0.02639903,-0.035725882,-0.160741002,0.520652665,-0.1,-0.25,-0.02173913,-2.61E-16,-3.04E-16,-3.33E-16,-0.125,0.5,-0.1,-0.25,-0.02173913,7.28E-17,9.47E-17,8.12E-17,-0.125,0.5,-0.1,-0.25,-0.02173913,-2.16E-15,-2.86E-15,-4.15E-15,-0.125,0.5,-0.1,-0.25,-0.02173913,-2.70E-16,-3.85E-16,-4.55E-16,-0.125,0.5,-0.1,-0.25,-0.02173913,-5.16E-17,-1.64E-16,-2.35E-16,-0.125,0.5,-0.122635135,-0.140765766,-0.011897767,-0.01039501,0.002702703,0.054054054,-0.432432432,0.324324324,1.459375918,1.231003764,0.783695987,0.823179415,0.89465579,1.13412299,1.381323553,0.185032401,1.5,1.369047619,0.931677019,0.879120879,0.857142857,0.816326531,0.892857143,0,1.5,1.369047619,0.931677019,0.879120879,0.857142857,0.816326531,0.892857143,0,1.5,1.369047619,0.931677019,0.879120879,0.857142857,0.816326531,0.892857143,0,1.5,1.369047619,0.931677019,0.879120879,0.857142857,0.816326531,0.892857143,0,1.5,1.369047619,0.931677019,0.879120879,0.857142857,0.816326531,0.892857143,0,1.466216216,0.880255255,0.750587544,0.836798337,0.993243243,1.216216216,2.207207207,0,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,42.78534791,21.17838824,35.24928014,42.47922546,6.06846078,21.17838824,-0.428571429,0.109241607,0.015605944,-1.549935292,26.71333668,3.816190954,2.299614059,0,11.79,12.21004853,-0.306948035,0.113272328,5.083969899,7.097648006,6,20,19,19,5,1,1,0,0,1,15.304898,3.482395983,3.187386785,2.701768563,2.117093876,1.572599551,1.19719882,0.911697442,0.083923071,1.891833234,1.671922331,1.364276662,1.02438691,0.730986775,0.549471752,0.349801862,0.083923071,3.50971322,3.220130596,2.748725212,2.185432383,1.666737283,1.315041477,1.039783756,0.270913902,1.831505689,1.60169185,1.273407245,0.907445372,0.59141731,0.395169899,0.188529248,0.270913902,3.630452655,3.36441836,2.952820655,2.476038034,2.053752126,1.782079744,1.541512282,0.943918427,1.654658222,1.393214783,0.992818311,0.531564342,0.125261353,0.134309087,0.369563056,0.943918427,3.529874442,3.244281326,2.783242904,2.235363736,1.734784458,1.399123447,1.130790711,0.399277246,1.793132834,1.556772728,1.214327728,0.830220437,0.497957939,0.290887368,0.07922127,0.399277246,3.689551591,3.434627323,3.049835198,2.609863663,2.224852491,1.980953912,1.75263536,1.207644823,1.599774711,1.327849611,0.901637584,0.404271541,0.039803444,0.328470623,0.576453602,1.207644823,3.598285894,3.296234897,2.843662279,2.280417167,1.778905648,1.453816466,1.259005162,0.538461538,1.845977493,1.497050444,1.092194267,0.732452928,0.422397407,0.212131938,0.061107734,0.538461538,0,0,1,1,0,1,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,5.112884175,3.023603362,1.78445705,1.011801681,0.538675135,0.24639964,0.102062073,0,0.730412025,0.503933894,0.35689141,0.25295042,0.179558378,0.12319982,0.102062073,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,5,1,0,2,0,0,0,0,0,0,0,0,1,1,4,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.614297052,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384550737,0.327152778,0,0,1.188296485,0.290277778,0,0.711703515,0,0,0,0,0,0,0,0,2.211397392,3.632491497,5.174305556,0,1.981805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.981805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384550737,0.327152778,0,0,0.212046485,0.290277778,0,0.327152778,0,0,0,0,0,0,0,0,2.211397392,3.632491497,1.188333333,0,1.981805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.632491497,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384550737,0.327152778,0,0,0.290277778,0.290277778,0,0.384550737,0,0,0,0,0,0,0,0,2.211397392,3.632491497,1.353194444,0,1.981805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13,1.857142857,0.384550737,3.632491497,0.212046485,1.188333333,5.159376803,0.311666667,0.632491497,1.687777778,0.311666667,0.632491497,1.687777778,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.28571,0,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.38519,0.76931,6.60412,1.21893,0.17413,2.84933,0.40705,3.41421,0.56488,0.0807,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.127387765,3.236857303,3.463280518,3.232101805,3.249367047,19.28421252,44.67514307,67.97400337,72.72889087,67.8741379,68.23670798,0.209068641,0.484342902,0.736936107,0.788485937,0.735853422,0.739784204,3.474021589,2.264929658,1.155460119,0.929036905,1.160215618,1.142950376,0.209068641,0.484342902,0.736936107,0.788485937,0.735853422,0.739784204,6.73287657,15.74885826,19.35589302,17.09520442,16.86221672,17.06939963,27.64912502,18.81705526,14.58757905,16.88179258,17.49723397,12.78821698,7,6,6,7,2,7,2.23,1.0519,0.166666667,3.838519496,0,0,5.676240019,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,3.16,5,4,3,2,1,0,0,0,0,28,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.666666667,5,0.833333333,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,0,126.9918924,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,98.10955045,4.671883355,12.83378878,1.833398397,0,0,0,56,4,3.957,22,1.2236,2.130702333,2.871729136,3.605464611,4.939731415,5.960982763,7.30073252,8.324651359,0,0,73.7959167,66.79834045,63.74485217,77.2616114,87.6814435,84.55329077,43.77081616,8.458378558,0,0,278.2003652,316.7502792,320.5922782,404.7643038,491.2507662,533.8705553,501.1212766,258.7613353,0,0,8.897867644,15.14862058,20.05013693,25.21914488,34.36249704,41.3402147,50.35805276,55.92887047,0,0,2.110244062,2.67720995,2.864193187,3.640788101,4.567018768,5.156846639,5.438541602,3.701247422,0,0,175.6104775,330.1411093,473.205228,590.1880374,822.898991,1002.016362,1245.820204,1539.374983,0,0,2.8102125,3.774214146,4.499008405,5.931093977,8.184286306,10.51946299,12.52642305,8.324651359,0,0,0.43759575,0.566400918,0.613278387,0.779929694,0.984305884,1.118169343,1.198603494,0.852444299,0,0,370.2788439,167.5843462,11.48802284,182.0876919,-82.41099191,-12.24010582,188.191152,249.9953381,23.72812866,0.670349885,0.303393373,0.020797826,0.329650115,-0.149196207,-0.022159391,204.5296423,92.56798479,6.345599379,100.5791476,-45.52107412,-6.76102485,0.125124026,0.22676275,2.488431769,5.676580613,552.3665359,0,1,0,393.1393776,19.82774263,7.32569526,529.3948196,23.00858143,8.089590956,577.678469,24.03494267,8.328409298,2.694131832,2.694131832,653.8070862,632.9279866,37.56688042,1.032988112,17.40381631,16.84803155,3.998211508,4.57798827,8.978772981,0.961292265,4.149594424,4.863396753,3.127175472,17.91865183,8.411702179,1.027370921,4.826716517,8.261226127,8.170984201,0.51026616,2.211261603,2.603453425,3.224991925,1.074168141,1.250211673,0.173173171,1.911882863,3.18E-12,1.02E-45,6.30E-101,7.52E-178,1.73E-276,0,0,0,0,0,0,0,0,0.348257413,4.863167147,0.206381407,4.933814538,0.062299116,0.084804326,0.536141596,0.237201379,2.806117479,0.022128907,0.06551718,0.146527405,0.109532539,0.663279687,0.104499291,0.014045995,0.013465547,2.24E-14,7.18E-48,4.44E-103,5.30E-180,1.22E-278,0,0,0,0,0,0,0,0,1.124191339,4.863182969,0.703164371,5.921299816,0.625219745,0.267518904,1.402967632,1.066256259,3.598483185,0.085070804,0.263447377,0.515878139,0.45975007,0.747021813,0.337614722,0.045663232,0.140321385,2.33E-13,7.48E-47,4.63E-102,5.52E-179,1.27E-277,0,0,0,0,0,0,0,0,3.916879296,4.863371714,2.913197394,16.5354162,7.496778618,0.966242018,4.560876677,7.483867487,7.735459316,0.46740045,1.994974689,2.406288257,2.933189533,1.04896822,1.179807049,0.16312586,1.70345321,2.83E-12,9.08E-46,5.62E-101,6.70E-178,1.54E-276,0,0,0,0,0,0,0,0,1.656845653,4.863203048,1.073708191,7.092955688,1.350543649,0.395821923,2.000680438,1.875531736,4.232300633,0.139174638,0.470599625,0.808666951,0.784997871,0.80454645,0.49786352,0.067624018,0.304796799,5.07E-13,1.62E-46,1.00E-101,1.20E-178,2.76E-277,0,0,0,0,0,0,0,0,5.011233796,4.863501933,3.959371922,23.70813621,12.25771314,1.257593306,5.814605532,11.46431849,9.905131275,0.683719013,3.108501765,3.386552859,4.42016928,1.16752391,1.511189118,0.210720891,2.788301473,4.64E-12,1.49E-45,9.19E-101,1.10E-177,2.52E-276,0,0,0,0,0,0,0,0,2.291910098,3.672436276,1.554861626,8.080118132,2.45268518,0.440310333,3.139009587,2.732834197,5.142708868,0.182898381,0.725879226,1.168495226,1.167868509,1.348609304,1.084276411,0.09858244,0.554332901,9.22E-13,2.96E-46,1.83E-101,2.18E-178,5.02E-277,0,0,0,0,0,0,0,0,7.136304388,0.797813871,0.39424315,0.85686776,0.095794819,0.51751526,0.573732509,0.476178631,8.328361409,8.821414402,19.39437657,0.785301641,1.5674264,6.418894019,0.29832868,0.084992606,0.943647581,0.043857577,0.418688369,0.080225794,0.022131145,6.802215305,2.485854444,9.450825506,0.915471372,0.521045308,6.703825881,0.496708235,0.207816884,0.904901223,0.067047071,0.456686652,0.222392391,0.132313223,7.408351001,4.826238086,12.92658721,0.857351835,0.811392266,7.118543304,0.78544805,0.386586978,0.858630486,0.094739838,0.514942273,0.556085646,0.457863508,8.290578331,8.646826084,19.09890729,0.787945729,1.528891427,6.830831848,0.58513406,0.26256472,0.889601433,0.07620391,0.474155844,0.30862054,0.21120993,7.678530628,5.944123388,14.6721127,0.834402149,0.993986314,7.191909608,0.836527948,0.418212581,0.851451107,0.099036652,0.525612062,0.630762339,0.535840797,8.446650137,9.373826978,20.33654161,0.77717666,1.692215198,7.178386256,0.784273606,0.386358287,0.859788077,0.093936028,0.523636293,0.554424678,0.457321957,8.349018149,8.706258496,19.23040382,0.789682115,1.535382929 +UMLS0136,L,1-Heptene,CCCCCC=C,11610,,"Sandia, UML",[1],C7H14,PubChem,,3.8,0,0.6382,0.40729924,32.2248,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,996.821117,827.412436,643.778859,450.070322,264.404617,81.787104,9.144576,3399.790734,4147.41404,4921.543769,4495.738207,3634.760223,2721.213111,1798.067638,968.1733981,279.7536999,146.842108,144.889944,254.75666,299.766352,250.717548,207.98804,145.502308,103.171968,60.466176,25.74688067,32.32302034,42.44399096,41.20519999,33.74182834,26.0541382,17.70154074,10.682782,4.001516144,3476.407621,2904.481805,5666.926698,7114.858871,5973.943916,5049.741717,3538.991458,2582.994154,1664.258868,36.75,43.5,62.25,65.5,55,45,31.5,21,9,48.76541633,51.7541979,27.68947547,19.24214967,17.88274608,15.00234407,12.59069605,5.4524736,1.016064,161.8947969,207.370702,136.7095491,104.5520513,100.9655617,90.70710369,85.62226847,64.54489321,31.08374443,6.992481333,7.2444972,7.076573889,6.971310512,6.964376333,6.932934667,6.928681333,6.8781312,6.718464,1.226041937,1.616151017,1.178999749,0.958260465,0.93727301,0.868471273,0.842930512,0.712185467,0.444612905,165.54322,145.2240902,157.4146305,165.4618342,165.9428866,168.3247239,168.5234028,172.1996103,184.917652,1.75,2.175,1.729166667,1.523255814,1.527777778,1.5,1.5,1.4,1,0.044255737,-0.002724614,-0.022405807,-0.002754175,0.003623632,-4.83E-04,-0.002641926,-3.61E-04,0.005618788,564.9747087,-53.80711511,-201.7766817,-26.90355756,-40.35533633,-2.17E-13,-40.35533633,-40.35533633,121.066009,1050.594596,-100.0566282,-375.2123557,-50.0283141,-75.04247115,1.42E-13,-75.04247115,-75.04247115,225.1274134,0.110674667,-0.010540444,-0.039526667,-0.005270222,-0.007905333,-4.52E-16,-0.007905333,-0.007905333,0.023716,4.696646663,-0.447299682,-1.677373808,-0.223649841,-0.335474762,-2.58E-15,-0.335474762,-0.335474762,1.006424285,25.51225921,-2.429738973,-9.111521147,-1.214869486,-1.822304229,-4.22E-15,-1.822304229,-1.822304229,5.466912688,3.30952381,-0.366213152,-0.93537415,-0.419501134,0.017006803,0.022108844,-0.047619048,-0.542517007,0.617346939,0.002107416,-1.36E-04,-6.22E-04,-6.41E-05,1.01E-04,-1.61E-05,-1.26E-04,-2.41E-05,6.24E-04,26.90355756,-2.690355756,-5.604907824,-0.625664129,-1.120981565,-7.22E-15,-1.921682683,-2.690355756,13.45177878,50.0283141,-5.00283141,-10.42256544,-1.163449165,-2.084513087,4.74E-15,-3.573451007,-5.00283141,25.01415705,0.005270222,-5.27E-04,-0.001097963,-1.23E-04,-2.20E-04,-1.51E-17,-3.76E-04,-5.27E-04,0.002635111,0.223649841,-0.022364984,-0.046593717,-0.005201159,-0.009318743,-8.60E-17,-0.015974989,-0.022364984,0.111824921,1.214869486,-0.121486949,-0.25309781,-0.028252779,-0.050619562,-1.41E-16,-0.086776392,-0.121486949,0.607434743,0.157596372,-0.018310658,-0.025982615,-0.00975584,4.72E-04,7.37E-04,-0.002267574,-0.0361678,0.068594104,-0.064643464,-0.295330163,-0.030392941,0.047762965,-0.007632156,-0.059696803,-0.011427678,0.296244171,-0.1,-0.208333333,-0.023255814,-0.041666667,-2.69E-16,-0.071428571,-0.1,0.5,-0.1,-0.208333333,-0.023255814,-0.041666667,9.47E-17,-0.071428571,-0.1,0.5,-0.1,-0.208333333,-0.023255814,-0.041666667,-2.86E-15,-0.071428571,-0.1,0.5,-0.1,-0.208333333,-0.023255814,-0.041666667,-3.85E-16,-0.071428571,-0.1,0.5,-0.1,-0.208333333,-0.023255814,-0.041666667,-1.16E-16,-0.071428571,-0.1,0.5,-0.11618705,-0.164868106,-0.061903965,0.002997602,0.004676259,-0.014388489,-0.229496403,0.435251799,1.373421493,1.382359431,0.99691271,0.864383522,0.945994284,0.976337212,0.657527898,0.003972094,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.510791367,1.154076739,0.931069098,0.881294964,0.931654676,0.971223022,1.208633094,0,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,35.10544132,17.48129209,28.8982439,35.0034005,5.000485786,17.48129216,-0.142857143,0.183534832,0.026219262,-1.186745565,21.80287736,3.114696766,2.157429365,0,11.89,12.11009426,-0.181125901,0.043377598,5.108787686,7.182011159,6,20,19,19,5,1,1,0,0,1,15.304898,3.502283833,3.174689649,2.647819903,2.141038364,1.662474916,1.228701565,0.765585611,0.083923071,1.88576869,1.676171393,1.375066214,1.023999473,0.748879162,0.560297645,0.26494977,0.083923071,3.526963431,3.208895978,2.700440482,2.208289868,1.74963351,1.34416454,0.900259949,0.270913902,1.827582872,1.604059501,1.277307308,0.910722223,0.616382834,0.407774127,0.098421578,0.270913902,3.637664543,3.359069382,2.92737616,2.492296558,2.109936044,1.802986042,1.426157545,0.943918427,1.660172369,1.388928624,0.971477704,0.54629082,0.176901559,0.114680916,0.481032874,0.943918427,3.545264645,3.234096227,2.739031931,2.257297879,1.812739275,1.426624494,0.995885952,0.399277246,1.790839239,1.557850432,1.213420877,0.835927735,0.527882588,0.304750691,0.014671876,0.399277246,3.692798026,3.431805311,3.034124997,2.622330165,2.270371888,1.998904681,1.646285725,1.207644823,1.609287721,1.321097279,0.87075811,0.422403721,0.022514211,0.305789472,0.697164539,1.207644823,3.57945078,3.267745145,2.795034571,2.350257742,1.87579871,1.495487606,1.142447682,0.56,1.792098626,1.470765026,1.133083257,0.730219577,0.424809806,0.204442835,0.169196891,0.56,0,0,0,2,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,5.276020882,3.026038674,1.711264119,0.960046463,0.488641942,0.23570226,0.11785113,0,0.753717269,0.504339779,0.342252824,0.240011616,0.162880647,0.11785113,0.11785113,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,4,2,0,2,0,0,0,0,0,0,0,0,2,0,3,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.318611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.633472222,0,0,0.97625,0.580555556,0,0.633472222,0,0,0,0,0,0,0,0,4.276944444,0,3.904444444,0,4.318611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.106805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.216944444,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.065138889,0,1.256944444,0,2.106805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.211805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327152778,0,0,0.290277778,0.290277778,0,0.327152778,0,0,0,0,0,0,0,0,2.211805556,0,1.337638889,0,2.211805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.5,1.785714286,0.327152778,2.211805556,0.216944444,1.256944444,4.938793333,0.243055556,0.211805556,1.191111111,0.243055556,0.211805556,1.191111111,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.28571,0,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.52313,0.78902,6.60412,1.08099,0.15443,2.81066,0.40152,3.41421,0.60355,0.08622,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.058053137,3.368042423,3.653756708,3.653756708,3.290069569,19.28421252,43.21911587,70.72889087,76.72889087,76.72889087,69.09146095,0.209068641,0.468557469,0.766803056,0.831851698,0.831851698,0.749050957,3.474021589,2.334264286,1.024275,0.738560714,0.738560714,1.102247854,0.209068641,0.468557469,0.766803056,0.831851698,0.831851698,0.749050957,6.73287657,16.07411706,19.48810467,19.77605468,19.77605468,17.11042065,27.64912502,17.70101564,14.3059685,13.54772211,13.54772211,12.70318223,7,6,6,7,2,7,2.23,1.0519,0.166666667,3.838519496,0,0,5.676240019,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.207,5,4,3,2,1,0,0,0,0,28,2.079441542,2.079441542,1.945910149,1.791759469,1.609437912,1.098612289,0,0,0,0,3.663561646,1.357142857,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,0,126.9918924,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,98.10955045,4.671883355,12.83378878,1.833398397,0,0,0,56,4,3.912,22,1.211233302,2.106138433,2.894282671,3.675440915,4.994926759,6.023492489,7.337504255,8.219024558,0,0,73.49122161,66.47484007,67.93010185,84.09806598,88.4843336,88.76026748,42.29146714,8.351054969,0,0,276.4193692,311.8087738,334.3292935,434.2830289,495.657284,565.7081447,490.8246446,255.4780588,0,0,8.809350154,14.96071158,20.23583463,25.78359126,34.74167285,41.90076029,50.55051561,55.21922061,0,0,2.094508635,2.630656854,2.957281736,3.863228236,4.609682346,5.422125711,5.36341358,3.654284384,0,0,173.7477302,327.4416641,474.8500918,595.8687462,832.472101,1002.392642,1256.967967,1519.842723,0,0,2.730252055,3.772410538,4.560042302,6.042560288,7.78711894,9.463146634,10.47843094,8.219024558,0,0,0.434249571,0.556494159,0.632083305,0.825690081,0.993591217,1.17337795,1.183551947,0.841628115,0,0,345.3915396,149.0668577,10.07970751,102.4597065,-44.22038391,-6.675560137,242.9318332,193.2872416,16.75526765,0.771219334,0.332849041,0.02250682,0.228780666,-0.098738999,-0.014905753,154.6840314,66.75977797,4.514209569,45.88670721,-19.80415404,-2.989657926,0.131808696,0.210923682,1.880741525,1.870580833,447.8512461,0,1,0,394.95989,19.87359781,7.336985561,535.2211769,23.13484767,8.119159931,576.4161006,24.0086672,8.322338338,2.654571241,2.654571241,677.589581,654.5872867,38.81477358,1.035140148,17.45700203,16.86438504,4.06679998,4.666929306,9.0361841,0.936216194,5.742638188,4.913624927,2.666284879,20.26691277,8.317850508,2.509525162,3.603766994,6.827633933,9.955503498,1.183072501,1.903871711,3.805780863,3.768586889,2.862386838,1.111571516,0.733263664,1.754631451,9.08E-10,9.06E-41,1.74E-93,6.48E-168,4.64E-264,0,0,0,0,0,0,0,0,0.481947778,4.908064149,0.219855732,5.114496478,0.066356006,0.082504842,0.781120164,0.2066117,3.242405181,0.034027179,0.058840239,0.372986311,0.151919427,1.070269851,0.048678958,0.043419229,0.012358013,6.39E-12,6.38E-43,1.23E-95,4.56E-170,3.27E-266,0,0,0,0,0,0,0,0,1.555766845,4.908435861,0.712295591,6.206075018,0.630452748,0.349571416,1.357036955,0.908388814,4.123226585,0.152845489,0.254346867,1.070834439,0.598710617,1.398151866,0.186534787,0.152101365,0.128780021,6.66E-11,6.65E-42,1.28E-94,4.75E-169,3.40E-265,0,0,0,0,0,0,0,0,5.42058249,4.913014448,2.51406517,18.63128042,7.41640702,2.280165583,3.430879691,6.192452165,9.371375898,1.071788626,1.726851741,3.594616424,3.444072542,2.739257309,1.018517902,0.679665416,1.563345034,8.09E-10,8.07E-41,1.55E-93,5.77E-168,4.13E-264,0,0,0,0,0,0,0,0,2.29290997,4.908917687,1.052397327,7.549652499,1.350300777,0.600703124,1.752458702,1.58305054,4.873215179,0.268772079,0.442329455,1.550734028,0.991955631,1.634493982,0.30465587,0.236248254,0.279727415,1.45E-10,1.44E-41,2.78E-94,1.03E-168,7.39E-265,0,0,0,0,0,0,0,0,6.935065476,4.916191879,3.232668948,27.12681789,12.10545084,3.450459084,4.243989512,9.44040073,12.31487132,1.641591064,2.632041912,4.588775892,5.087184934,3.333514525,1.487880997,0.94461962,2.558965069,1.32E-09,1.32E-40,2.54E-93,9.44E-168,6.76E-264,0,0,0,0,0,0,0,0,3.233698512,4.516930048,1.519901501,9.677537802,2.638134779,0.918232913,2.325013987,2.464611516,6.253776057,0.423423286,0.778330736,2.350821792,1.463622155,2.290990393,0.515219724,0.385996032,0.550252423,2.85E-10,2.84E-41,5.47E-94,2.03E-168,1.45E-264,0,0,0,0,0,0,0,0,7.927128801,0.816752681,0.373564448,0.869446209,0.089581302,0.561651972,0.557085231,0.47617324,9.117445931,9.740906963,21.2769973,0.804169314,1.594910444,6.610490325,0.316495095,0.080534605,0.943342338,0.045165065,0.390637862,0.083573248,0.022130895,7.007520025,2.650049795,9.826063334,0.915013507,0.496342005,7.133381607,0.515215954,0.196916547,0.909230614,0.065670133,0.454844985,0.221583138,0.132311725,7.845514109,5.181367434,13.75059554,0.86384592,0.808739848,7.894529268,0.804370987,0.366309855,0.870860043,0.088731643,0.557043563,0.540317258,0.457858325,9.06521011,9.536623189,20.92794861,0.806290065,1.555219146,7.366471301,0.603778493,0.248792769,0.896268786,0.073460928,0.485041528,0.304357733,0.211207539,8.219042563,6.430657458,15.75625984,0.844403179,1.0006068,8.029190179,0.855515517,0.396276643,0.865122881,0.092179414,0.576202666,0.611235858,0.535834731,9.280982339,10.38989813,22.39294308,0.797684321,1.723273255,7.916127961,0.804255946,0.36645509,0.871164105,0.08850778,0.560099159,0.540150206,0.458221462,9.086838997,9.562222054,20.98213146,0.806746157,1.558470827 +UMLS0137,L,2-heptene,CCCCC=CC,11611, (trans) reported,UML,[1],C7H14,PubChem,,4.6,0,0.25,0.0625,32.391,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,996.821117,816.321412,629.639643,458.113154,278.543833,84.835296,9.144576,3399.790734,4147.41404,4921.543769,4412.085335,3457.856117,2711.614749,1974.971743,1061.424631,279.7536999,146.842108,144.889944,254.75666,299.367184,230.162988,188.231816,166.056868,123.32736,60.466176,25.74688067,32.32302034,42.44399096,40.53626858,31.73905822,25.38923089,19.70431086,12.01662072,4.001516144,3476.407621,2904.481805,5666.926698,7146.653976,5450.986064,4463.193657,4061.94931,3137.747111,1664.258868,36.75,43.25,63,67.25,51.75,40.5,34,24,9,48.76541633,51.7541979,27.68947547,18.98421888,19.07998918,16.96715385,11.60599304,4.713072,1.016064,161.8947969,207.370702,136.7095491,102.6066357,104.7835187,100.4301759,82.29048929,58.96803508,31.08374443,6.992481333,7.2444972,7.076573889,6.962027535,6.974636,6.971548741,6.919036167,6.85152,6.718464,1.226041937,1.616151017,1.178999749,0.942703921,0.961789643,0.940341885,0.821012953,0.66759004,0.444612905,165.54322,145.2240902,157.4146305,166.2012552,165.1813959,165.3034688,169.2478879,174.3192839,184.917652,1.75,2.1625,1.75,1.563953488,1.568181818,1.5,1.416666667,1.333333333,1,0.04378992,-0.00432406,-0.018952206,-1.71E-04,-0.003470449,-8.67E-04,0.00196673,-8.91E-04,0.004814006,564.9747087,-53.80711511,-201.7766817,13.45177878,-40.35533633,-80.71067267,-40.35533633,-2.74E-13,121.066009,1050.594596,-100.0566282,-375.2123557,25.01415705,-75.04247115,-150.0849423,-75.04247115,8.53E-14,225.1274134,0.110674667,-0.010540444,-0.039526667,0.002635111,-0.007905333,-0.015810667,-0.007905333,-6.81E-16,0.023716,4.696646663,-0.447299682,-1.677373808,0.111824921,-0.335474762,-0.670949523,-0.335474762,-3.25E-15,1.006424285,25.51225921,-2.429738973,-9.111521147,0.607434743,-1.822304229,-3.644608459,-1.822304229,-8.66E-15,5.466912688,3.30952381,-0.616213152,-0.816326531,0.068594104,-0.43877551,-0.421768707,0.289115646,-0.336734694,0.617346939,0.002085234,-2.16E-04,-5.26E-04,-3.97E-06,-1.05E-04,-3.21E-05,8.19E-05,-4.95E-05,5.35E-04,26.90355756,-2.690355756,-5.604907824,0.312832065,-1.22288898,-2.989284173,-1.681472347,-1.52E-14,13.45177878,50.0283141,-5.00283141,-10.42256544,0.581724583,-2.274014277,-5.558701566,-3.126769631,4.74E-15,25.01415705,0.005270222,-5.27E-04,-0.001097963,6.13E-05,-2.40E-04,-5.86E-04,-3.29E-04,-3.78E-17,0.002635111,0.223649841,-0.022364984,-0.046593717,0.00260058,-0.010165902,-0.024849982,-0.013978115,-1.80E-16,0.111824921,1.214869486,-0.121486949,-0.25309781,0.014126389,-0.05522134,-0.134985498,-0.075929343,-4.81E-16,0.607434743,0.157596372,-0.030810658,-0.022675737,0.001595212,-0.013296228,-0.015621063,0.012046485,-0.018707483,0.068594104,-0.103682831,-0.252465715,-0.001905311,-0.050433247,-0.015405572,0.039298749,-0.023732655,0.256512905,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,-5.65E-16,0.5,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,9.47E-17,0.5,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,-7.18E-15,0.5,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,-8.07E-16,0.5,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,-3.96E-16,0.5,-0.195503597,-0.143884892,0.010122135,-0.084368869,-0.099120703,0.076438849,-0.118705036,0.435251799,1.41336428,1.315405048,1.048229969,1.169634258,0.936844601,0.627285096,0.575361235,1.83E-05,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.586330935,1.175059952,0.966203781,1.052975801,0.923261391,0.692446043,1.007194245,0,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,33.17168758,16.51441522,26.3014442,33.06964677,4.724235253,16.51441542,-0.142857143,0.116346709,0.016620958,-1.505826475,25.42955888,3.632794125,2.265138563,0,11.89,12.11009426,-0.160379045,0.06103321,5.129862217,7.044812138,6,20,19,19,5,1,1,0,0,1,15.304898,3.512714711,3.139583825,2.695830913,2.127646664,1.603892564,1.293866965,0.750445195,0.083923071,1.881411882,1.688132795,1.36461443,1.024195326,0.737504923,0.580196965,0.260463024,0.083923071,3.536210819,3.177688002,2.74371253,2.195568475,1.695912636,1.404117954,0.886838218,0.270913902,1.824885,1.610768069,1.273564199,0.909034399,0.600543781,0.431493138,0.093362734,0.270913902,3.641919659,3.343968271,2.950852102,2.483468626,2.074126321,1.844897189,1.417618328,0.943918427,1.663488105,1.376801627,0.991273819,0.538339161,0.144047724,0.075582297,0.488946631,0.943918427,3.553648911,3.205711777,2.778854815,2.24513635,1.762410262,1.483022975,0.983553245,0.399277246,1.789305984,1.560910539,1.214285564,0.832954886,0.508909607,0.331203095,0.020172058,0.399277246,3.694803858,3.423801707,3.048807729,2.615655102,2.241467126,2.034313152,1.639142064,1.207644823,1.614766388,1.302097472,0.899047957,0.41249167,0.017322926,0.259974192,0.70662939,1.207644823,3.585030126,3.220752873,2.875375255,2.31583412,1.831438012,1.551166707,1.128381486,0.56,1.765443383,1.521948933,1.105288947,0.730438526,0.411032046,0.227901289,0.174074546,0.56,0,0,0,2,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,5.276020882,3.064043477,1.668327946,0.857710728,0.451184464,0.23570226,0.11785113,0,0.753717269,0.510673913,0.333665589,0.214427682,0.150394821,0.11785113,0.11785113,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,2,0,3,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.447916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.607013889,0,0,1.292986111,0.580555556,0,0.607013889,0,0,0,0,0,0,0,0,4.353333333,0,3.69875,0,4.447916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.211805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.225625,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.158888889,0,1.180555556,0,2.211805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.290277778,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.194444444,0,1.274305556,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.5,1.785714286,0.306319444,2.236111111,0.225625,1.180555556,4.908854167,0.319444444,0.236111111,1.6025,0.319444444,0.236111111,1.6025,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.28571,0,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.49934,0.78562,6.60412,1.10478,0.15783,2.87132,0.41019,3.41421,0.54289,0.07756,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.962815041,2.987090042,3.463280518,3.232101805,2.624632976,19.28421252,41.21911587,62.72889087,72.72889087,67.8741379,55.1172925,0.209068641,0.446874589,0.680071533,0.788485937,0.735853422,0.597550842,3.474021589,2.429502381,1.405227381,0.929036905,1.160215618,1.767684446,0.209068641,0.446874589,0.680071533,0.788485937,0.735853422,0.597550842,6.73287657,14.93125992,18.05729752,18.5372142,17.2573527,13.9508934,27.64912502,19.06805416,16.36502553,15.14260039,16.89724055,17.32556464,7,6,6,7,2,7,2.23,1.0519,0.166666667,3.838519496,0,0,5.676240019,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.207,5,4,3,2,1,0,0,0,0,28,2.079441542,2.079441542,2.079441542,1.945910149,1.609437912,1.098612289,0,0,0,0,3.713572067,1.428571429,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,0,126.9918924,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,98.10955045,4.671883355,12.83378878,1.833398397,0,0,0,56,4,3.807,22,1.211422317,2.106461999,2.886383982,3.689916693,5.04375108,5.985449854,7.225199526,8.220566723,0,0,73.5066391,66.40465938,66.8587127,89.78841271,99.84277315,81.27132409,36.3775118,8.352621907,0,0,276.4717317,311.6637717,327.6625076,452.1982024,550.7370406,538.8904643,443.5890657,255.5259951,0,0,8.810737505,14.96272081,20.15456873,25.92548881,35.27682572,41.5695081,49.58726279,55.22958159,0,0,2.094885549,2.62999547,2.904267103,3.980084936,5.023086521,5.23547689,4.963676101,3.65497005,0,0,173.7740571,327.5105823,475.6185231,595.2606003,825.3413776,1001.058075,1252.827504,1520.127897,0,0,2.713374016,3.823356992,4.687023028,6.225095923,7.823098436,8.838198378,9.843194643,8.220566723,0,0,0.434326974,0.556373766,0.621143116,0.849071152,1.078142826,1.135550367,1.100096559,0.841786032,0,0,350.3690005,149.9739821,9.94724686,101.9879767,-43.65552594,-6.5815862,248.3810238,193.629508,16.52883306,0.774540945,0.331539005,0.021989816,0.225459055,-0.096506804,-0.014549541,158.491862,67.84177719,4.499706521,46.13497284,-19.74788175,-2.977226438,0.132918988,0.206030955,2.158283149,1.632807719,452.3569772,0,1,0,394.76085,19.86858953,7.335752863,534.9889878,23.12982896,8.11798568,577.186304,24.02470196,8.32604344,2.637302947,2.637302947,681.251504,659.6564769,37.42351304,1.032736777,18.20383627,17.62679191,4.050971912,4.649262709,9.267247064,0.993272405,5.728361853,4.941817656,2.68841746,18.73997769,8.393631294,1.602047449,4.480593623,5.659587055,10.02586926,0.093672682,1.396101263,7.043797307,1.951736095,4.751448617,0.002383695,3.695949215,7.91E-04,0.004438704,4.80E-24,1.00E-66,4.04E-131,3.13E-217,0,0,0,0,0,0,0,0,0.480749584,4.936508913,0.22163398,5.11586674,0.065714726,0.132794804,0.706412267,0.066781979,3.141846681,6.64E-04,0.076812455,0.504084315,0.044181437,1.119212738,1.69E-05,0.078967213,5.57E-06,3.13E-05,3.38E-26,7.06E-69,2.84E-133,2.21E-219,0,0,0,0,0,0,0,0,1.551899123,4.936863785,0.718088169,6.1104968,0.6329958,0.427229606,1.476490116,0.484547039,3.981431934,0.006886779,0.271242066,1.602047333,0.221440302,1.615677221,1.75E-04,0.407265457,5.81E-05,3.26E-04,3.53E-25,7.36E-68,2.96E-132,2.30E-218,0,0,0,0,0,0,0,0,5.40710679,4.941234848,2.534901997,17.27397095,7.483117272,1.510165401,4.249430206,5.061126909,9.404347138,0.083463818,1.288850463,6.559622133,1.759918162,4.442429731,0.0021239,3.329474019,7.05E-04,0.003954805,4.28E-24,8.93E-67,3.60E-131,2.79E-217,0,0,0,0,0,0,0,0,2.287209702,4.937323775,1.060987311,7.323680907,1.358716057,0.630974316,2.005217362,0.986254425,4.725716422,0.014947765,0.426940974,2.426114488,0.406103907,2.029215932,3.80E-04,0.75437085,1.26E-04,7.08E-04,7.66E-25,1.60E-67,6.44E-132,5.00E-218,0,0,0,0,0,0,0,0,6.917824753,4.944268252,3.259655531,24.88547076,12.21980255,1.944442878,5.336613446,8.166166845,12.55426989,0.136597906,1.823274301,8.93164981,2.747152488,5.99399785,0.003476061,5.217530923,0.00115381,0.006473432,7.01E-24,1.46E-66,5.89E-131,4.57E-217,0,0,0,0,0,0,0,0,3.223524143,4.452919942,1.554663132,9.463696618,2.657932113,0.858173564,2.873841842,1.884386718,5.594527913,0.029393151,0.611359014,3.471941962,0.674138322,3.004494646,7.48E-04,1.374981499,2.48E-04,0.001391977,1.51E-24,3.14E-67,1.27E-131,9.83E-218,0,0,0,0,0,0,0,0,8.239461867,0.797810433,0.373942599,0.875493967,0.084772311,0.602327525,0.614692331,0.476182424,9.411214898,9.952949726,21.82228701,0.813240951,1.69320228,6.645077198,0.301648653,0.080616128,0.945603219,0.042925,0.391783087,0.087861399,0.022131321,7.027341979,2.564496726,9.753432007,0.918404829,0.501775807,7.27831411,0.498708933,0.197115881,0.912739818,0.062540788,0.470005006,0.240169978,0.132314277,7.974138925,5.162735016,13.85235733,0.869109727,0.842489261,8.199989309,0.78552695,0.366680662,0.876798187,0.083993842,0.596570539,0.595908188,0.457867155,9.352196921,9.736127643,21.45022933,0.815197281,1.650345881,7.560574285,0.586546391,0.249044616,0.900479448,0.069858843,0.507164204,0.332231069,0.211211612,8.396165293,6.463624106,15.96420952,0.850719171,1.050606885,8.363039929,0.836266712,0.396677785,0.871514538,0.087147569,0.620529869,0.675385381,0.535845065,9.595984427,10.64289249,23.01313499,0.807271806,1.831760315,8.209047176,0.785312854,0.366826044,0.876923833,0.083890316,0.597886515,0.595598242,0.458230299,9.361186074,9.746035777,21.4720284,0.81538575,1.651715056 +UMLS0138,L,3-heptene,CCCC=CCC,11612, (trans) reported,UML,[1],C7H14,PubChem,,10.5,0,0.6446,0.41550916,17.4389,12.374344,0,0,12,4,8,0,4,0,0,0,0,0,0,0,0,0,585.184996,673.913188,463.107794,132.247584,12.192768,0,0,0,0,1942.737562,2611.960538,2608.765155,1489.287352,373.0049332,0,0,0,0,83.909776,87.10312,148.3202,145.079424,80.621568,0,0,0,0,14.71250324,20.06395448,23.39048486,16.02618505,5.335354858,0,0,0,0,1986.518641,1732.157806,3321.89264,3565.319649,2219.011824,0,0,0,0,18.27777778,22.25,31.33333333,28,12,0,0,0,0,48.76541633,56.15943233,22.0527521,6.297504,1.016064,0,0,0,0,161.8947969,217.6633782,124.2269121,70.91844535,31.08374443,0,0,0,0,6.992481333,7.258593333,7.062866667,6.908544,6.718464,0,0,0,0,1.226041937,1.671996207,1.113832613,0.763151669,0.444612905,0,0,0,0,165.54322,144.3464838,158.1853638,169.7771262,184.917652,0,0,0,0,1.523148148,1.854166667,1.492063492,1.333333333,1,0,0,0,0,0.01609244,-0.001397082,-0.008526309,-0.005528953,0.007406123,0,0,0,0,322.8426907,-1.35E-13,-201.7766817,-121.066009,161.4213453,0,0,0,0,600.3397692,0,-375.2123557,-225.1274134,300.1698846,0,0,0,0,0.063242667,9.07E-16,-0.039526667,-0.023716,0.031621333,0,0,0,0,2.683798093,-1.11E-15,-1.677373808,-1.006424285,1.341899046,0,0,0,0,14.57843384,4.40E-14,-9.111521147,-5.466912688,7.289216918,0,0,0,0,1.157407407,-0.444444444,-0.020833333,-0.56712963,0.453703704,0,0,0,0,0.001341037,-1.16E-04,-4.06E-04,-2.63E-04,6.17E-04,0,0,0,0,26.90355756,-1.13E-14,-9.608413413,-5.765048048,13.45177878,0,0,0,0,50.0283141,0,-17.86725503,-10.72035302,25.01415705,0,0,0,0,0.005270222,7.56E-17,-0.001882222,-0.001129333,0.002635111,0,0,0,0,0.223649841,-9.25E-17,-0.079874943,-0.047924966,0.111824921,0,0,0,0,1.214869486,3.66E-15,-0.433881959,-0.260329176,0.607434743,0,0,0,0,0.096450617,-0.037037037,-9.92E-04,-0.027006173,0.037808642,0,0,0,0,-0.086816021,-0.302761823,-0.196328311,0.460223754,0,0,0,0,-4.18E-16,-0.357142857,-0.214285714,0.5,0,0,0,0,0,-0.357142857,-0.214285714,0.5,0,0,0,0,1.43E-14,-0.357142857,-0.214285714,0.5,0,0,0,0,-4.14E-16,-0.357142857,-0.214285714,0.5,0,0,0,0,3.02E-15,-0.357142857,-0.214285714,0.5,0,0,0,0,-0.384,-0.010285714,-0.28,0.392,0,0,0,0,1.457708929,1.267407974,1.040104314,0.004144567,0,0,0,0,1.375,1.375,0.982142857,0,0,0,0,0,1.375,1.375,0.982142857,0,0,0,0,0,1.375,1.375,0.982142857,0,0,0,0,0,1.375,1.375,0.982142857,0,0,0,0,0,1.375,1.375,0.982142857,0,0,0,0,0,1.826,0.854857143,1.244571429,0,0,0,0,0,8.199295459,4.09964773,6.482832401,8.199295459,2.049823865,4.131441996,-1.78E-15,0.10541112,0.02635278,-0.899954859,16.95471773,4.238679432,1.132218451,8.199295459,4.09964773,6.482832401,8.199295459,2.049823865,4.131441996,-1.78E-15,0.10541112,0.02635278,-0.899954859,16.95471773,4.238679432,1.132218451,8.199295459,4.09964773,6.482832401,8.199295459,2.049823865,4.131441996,-1.78E-15,0.10541112,0.02635278,-0.899954859,16.95471773,4.238679432,1.132218451,8.199295459,4.09964773,6.482832401,8.199295459,2.049823865,4.131441996,-1.78E-15,0.10541112,0.02635278,-0.899954859,16.95471773,4.238679432,1.132218451,8.199295459,4.09964773,6.482832401,8.199295459,2.049823865,4.131441996,-1.78E-15,0.10541112,0.02635278,-0.899954859,16.95471773,4.238679432,1.132218451,8.199295459,4.09964773,6.482832401,8.199295459,2.049823865,4.131441996,-1.78E-15,0.10541112,0.02635278,-0.899954859,16.95471773,4.238679432,1.132218451,9.233860789,4.571791506,7.183784377,9.188721901,2.297180475,4.590215974,-0.090277778,0.056057046,0.014014261,-1.152554172,10.32066381,2.580165954,0.933659232,0,11.9,12.10004039,-0.149968906,0.05007066,4.933495331,5.997504729,4,12,12,12,4,0,0,0,0,0,8.745656,3.655766806,2.44126965,1.456797487,1.048635851,0.083923071,0.083923071,0.083923071,0.083923071,1.609084769,1.372874417,0.944510797,0.340307529,0.083923071,0.083923071,0.083923071,0.083923071,3.679464424,2.504797867,1.556142907,1.161811883,0.270913902,0.270913902,0.270913902,0.270913902,1.532051243,1.285229005,0.8242471,0.177034125,0.270913902,0.270913902,0.270913902,0.270913902,3.78376187,2.773435551,1.9628467,1.619577835,0.943918427,0.943918427,0.943918427,0.943918427,1.304234134,1.018928274,0.432252462,0.39146662,0.943918427,0.943918427,0.943918427,0.943918427,3.696923778,2.551095198,1.62787375,1.243233128,0.399277246,0.399277246,0.399277246,0.399277246,1.482803942,1.228596505,0.744460974,0.066155451,0.399277246,0.399277246,0.399277246,0.399277246,3.834691516,2.896868808,2.141548494,1.817637207,1.207644823,1.207644823,1.207644823,1.207644823,1.233507639,0.933903671,0.296913179,0.604157756,1.207644823,1.207644823,1.207644823,1.207644823,3.69204087,2.747143852,1.744477468,1.36150057,0.631578947,0.631578947,0.631578947,0.631578947,1.380144269,1.1655301,0.586754488,0.113581886,0.631578947,0.631578947,0.631578947,0.631578947,0,0,0,0,0,1,2,1,0,0.288675135,0.288675135,0,0,0,0.288675135,0.288675135,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0,0,0,0,0,0,2.991563832,1.89384685,1.682521985,0.577350269,0,0,0,0,0.747890958,0.473461713,0.336504397,0.288675135,0,0,0,0,2.991563832,1.89384685,1.682521985,0.577350269,0,0,0,0,0.747890958,0.473461713,0.336504397,0.288675135,0,0,0,0,6.167311215,11.55134741,10.90196078,11.04,7.194217964,92.11302036,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.4163,18.398,6.597721372,10.29310485,13.19544274,3.298860686,6.59985401,0.060873882,0.01521847,-1.119580428,9.384565373,2.346141343,0.895626543,13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,1,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.8,0,0,0,0,0,0,0,0,0,0,0,2.277777778,0,2.972222222,0,0,0,1.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.277777778,0,1.486111111,0,0,0,1.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.277777778,0,1.486111111,0,0,0,1.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.333333333,1.583333333,0.2,2.277777778,0.2,1.083333333,2.877027778,0.25,0.277777778,0.555555556,0.25,0.277777778,0.555555556,2,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,2,0.5,2,0.5,0,0,-2,-0.5,0,0,2.60095,0.65024,2.60095,0,0,1.89384,0.47346,1.89384,0,0,0.02016,0.00504,0.10616,0.02654,0.25,4,0,0,0,0,0,0,1,0.918295834,1.418295834,2.355388542,2.355388542,2.056641667,1.028320834,11.01955001,17.01955001,28.26466251,28.26466251,24.67970001,12.33985,0.256152145,0.395623618,0.657019018,0.657019018,0.573685685,0.286842842,2.666666667,2.166666667,1.229573959,1.229573959,1.528320834,2.556641667,0.256152145,0.395623618,0.657019018,0.657019018,0.573685685,0.286842842,6.73287657,12.73287657,13.67730206,13.67730206,10.09233956,1.036367477,15.79950001,11.87468751,12.66691771,12.66691771,10.87443646,3.613283334,2.25,0.48,0.444444444,0,0,0,1.9,0.5636,0,1,1,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,1.898,5,2,0,0,0,0,0,0,0,15,1.609437912,1.791759469,1.098612289,0,0,0,0,0,0,0,2.772588722,1,0.5,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,0,1,2,1,1,0.5,0,0,0,0,0,0,0,0,0.25,0.25,0,0,0,0,0,0,0,0,0.5,4.09964773,6.482832401,8.199295459,2.049823865,4.131441996,0.10541112,0.02635278,-0.899954859,16.95471773,4.238679432,1.132218451,0,65.3839385,3,2.944438979,3.663561646,4.442651256,5.198497031,5.978885765,6.746412129,7.524561226,8.296297113,9.072800958,61.8681061,2.197224577,1.945910149,3.36729583,3.713572067,4.762173935,5.351858133,6.248042875,6.940222469,7.770223204,8.373091847,56.06260026,4.671883355,7.175868588,1.793967147,0,0,0,8,0,2.215,18,1.215072745,2.120628979,2.893722488,3.479644668,0,0,0,0,0,0,78.71764966,52.56488253,18.93874243,3.53554168,0,0,0,0,0,0,288.9626509,281.3047528,210.6149847,108.1603856,0,0,0,0,0,0,8.853252993,15.02346118,20.01716059,23.37786744,0,0,0,0,0,0,2.164450208,2.475034551,2.251503813,1.547094924,0,0,0,0,0,0,173.3036923,332.085644,489.2366953,643.4477219,0,0,0,0,0,0,2.302776167,3.257444419,3.907483155,3.479644668,0,0,0,0,0,0,0.447811544,0.527022785,0.494801871,0.356315614,0,0,0,0,0,0,217.9464195,44.83211426,5.550102673,76.82905552,-15.80392558,-4.143102786,141.117364,60.63603984,9.693205459,0.739364153,0.152089024,0.018828238,0.260635847,-0.053613434,-0.014055114,64.24525936,13.21540778,1.636034152,22.64732134,-4.658609671,-1.221285092,0.144059459,0.302948283,3.336674146,8.546001518,294.7754751,0,1,0,273.2724995,16.5309558,6.48931182,353.2071057,18.79380498,7.068758492,318.7868406,17.85460279,6.831249202,1.37951954,1.147135927,84.76617534,74.00468405,31.58297694,1.145416354,2.683919743,2.343182664,2.55626431,2.18586549,4.214360659,0.928005488,3.223225698,2.982420326,1.193978704,6.385219353,3.509269072,5.588701762,1.410886831,4.76E-04,2.08E-27,1.91E-72,3.62E-139,1.36E-227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.270503035,2.981234798,0.086934066,2.04095402,0.040571947,0.170177695,0.009936991,3.35E-06,1.46E-29,1.35E-74,2.55E-141,9.61E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.87321668,2.981314158,0.289376618,2.436490819,0.298297313,0.746270722,0.103551111,3.50E-05,1.52E-28,1.40E-73,2.65E-140,1.00E-228,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.042462132,2.982290215,1.117882494,5.945489047,3.137613276,5.069507233,1.257074765,4.24E-04,1.85E-27,1.70E-72,3.22E-139,1.22E-227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.286960703,2.981416925,0.435333289,2.853867928,0.608923959,1.299091647,0.22492685,7.59E-05,3.31E-28,3.05E-73,5.76E-140,2.17E-228,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.892511819,2.982967393,1.485179693,8.210654047,5.066221659,7.723910747,2.057645846,6.95E-04,3.03E-27,2.79E-72,5.27E-139,1.99E-227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.063722876,2.732860698,0.64034163,4.270638481,1.441066519,2.816299953,0.562791423,1.90E-04,8.28E-28,7.63E-73,1.44E-139,5.44E-228,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.702018193,0.775483854,0.585812992,0.555613174,0.253151845,0.604988691,0.568071724,0.39181694,3.06331504,2.771240516,6.607762877,0.333419761,1.564877355,1.141171922,0.377584037,0.187326928,0.668884221,0.22131635,0.273556746,0.13464461,0.040580341,1.706082887,0.715392189,2.502192057,0.503326331,0.448781697,1.363252866,0.535616145,0.346262433,0.607204032,0.238567834,0.389072925,0.270969727,0.138061648,2.245131444,1.387687248,3.885652679,0.410806049,0.7981043,1.688071487,0.765632896,0.576009412,0.557171931,0.252707994,0.5951453,0.553729549,0.378955977,3.029713795,2.705799881,6.479973045,0.335757897,1.527830826,1.462546286,0.606057889,0.416803397,0.588453299,0.243846481,0.447365763,0.346943334,0.199581703,2.485407572,1.748588962,4.603445945,0.382679949,0.9938908,1.745698679,0.806324601,0.616488283,0.550952283,0.254480561,0.636350847,0.614158755,0.433406737,3.168511564,2.980892242,7.017172584,0.326428424,1.683916339,1.695458155,0.766843609,0.577327069,0.557784601,0.252281989,0.600348677,0.555473628,0.380617808,3.039628833,2.72170471,6.511946052,0.336676901,1.536440113 +UMLS0139,L,methylcyclopropane,CC1CC1,11657,,"Sandia, UML",[1],C4H8,PubChem,,19,0,2.7101,7.34464201,33.556,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1481.085153,1313.546982,433.064016,45.72288,0,0,0,3399.790734,4147.41404,5822.053423,6786.356216,4812.071906,1398.768499,0,0,0,146.842108,144.889944,254.851524,308.59548,456.591168,302.33088,0,0,0,25.74688067,32.32302034,46.4696881,57.93453947,51.41918809,20.00758072,0,0,0,3476.407621,2904.481805,5688.794349,6426.300402,11155.32659,8321.294341,0,0,0,43.34027778,47.91666667,66.83333333,100.25,108,45,0,0,0,48.76541633,51.7541979,41.14125425,30.54760423,6.561576,1.016064,0,0,0,161.8947969,207.370702,161.7237062,157.8222376,72.9101804,31.08374443,0,0,0,6.992481333,7.2444972,7.079209,7.17663907,6.918048,6.718464,0,0,0,1.226041937,1.616151017,1.29082467,1.347314871,0.779078607,0.444612905,0,0,0,165.54322,145.2240902,158.0220653,149.4488466,169.0200999,184.917652,0,0,0,2.063822751,2.395833333,1.856481481,2.331395349,1.636363636,1,0,0,0,0.040156877,-0.011460777,0.02133683,-0.031997989,-0.038479845,0.040523342,0,0,0,564.9747087,-53.80711511,282.4873543,-672.5889389,-443.9086997,605.330045,0,0,0,1050.594596,-100.0566282,525.297298,-1250.707852,-825.4671826,1125.637067,0,0,0,0.110674667,-0.010540444,0.055337333,-0.131755556,-0.086958667,0.11858,0,0,0,4.696646663,-0.447299682,2.348323331,-5.591246027,-3.690222378,5.032121424,0,0,0,25.51225921,-2.429738973,12.75612961,-30.37173716,-20.04534652,27.33456344,0,0,0,6.228835979,-3.147833207,4.052484883,-2.227166793,-6.67356387,4.881660998,0,0,0,0.001912232,-5.73E-04,5.93E-04,-7.44E-04,-5.83E-04,9.01E-04,0,0,0,26.90355756,-2.690355756,7.846870954,-15.64160323,-6.725889389,13.45177878,0,0,0,50.0283141,-5.00283141,14.59159161,-29.08622913,-12.50707852,25.01415705,0,0,0,0.005270222,-5.27E-04,0.001537148,-0.003064083,-0.001317556,0.002635111,0,0,0,0.223649841,-0.022364984,0.065231204,-0.130028977,-0.05591246,0.111824921,0,0,0,1.214869486,-0.121486949,0.354336934,-0.706319469,-0.303717372,0.607434743,0,0,0,0.296611237,-0.15739166,0.112569025,-0.051794577,-0.101114604,0.108481356,0,0,0,-0.299670118,0.309946524,-0.389146922,-0.304893902,0.470925393,0,0,0,-0.1,0.291666667,-0.581395349,-0.25,0.5,0,0,0,-0.1,0.291666667,-0.581395349,-0.25,0.5,0,0,0,-0.1,0.291666667,-0.581395349,-0.25,0.5,0,0,0,-0.1,0.291666667,-0.581395349,-0.25,0.5,0,0,0,-0.1,0.291666667,-0.581395349,-0.25,0.5,0,0,0,-0.530632831,0.37951706,-0.174621087,-0.340899438,0.365735825,0,0,0,1.605932855,0.624845364,1.686388322,1.194557626,0.089586859,0,0,0,1.5,0.833333333,1.843853821,1.071428571,0,0,0,0,1.5,0.833333333,1.843853821,1.071428571,0,0,0,0,1.5,0.833333333,1.843853821,1.071428571,0,0,0,0,1.5,0.833333333,1.843853821,1.071428571,0,0,0,0,1.5,0.833333333,1.843853821,1.071428571,0,0,0,0,1.906455723,0.34530509,1.467760893,1.459487635,0,0,0,0,23.01945622,11.50972811,16.32996587,23.01945622,3.288493746,11.50975494,1.78E-15,0.020465962,0.002923709,-2.722294498,20.11403613,2.873433732,2.10099252,23.01945622,11.50972811,16.32996587,23.01945622,3.288493746,11.50975494,1.78E-15,0.020465962,0.002923709,-2.722294498,20.11403613,2.873433732,2.10099252,23.01945622,11.50972811,16.32996587,23.01945622,3.288493746,11.50975494,1.78E-15,0.020465962,0.002923709,-2.722294498,20.11403613,2.873433732,2.10099252,23.01945622,11.50972811,16.32996587,23.01945622,3.288493746,11.50975494,1.78E-15,0.020465962,0.002923709,-2.722294498,20.11403613,2.873433732,2.10099252,23.01945622,11.50972811,16.32996587,23.01945622,3.288493746,11.50975494,1.78E-15,0.020465962,0.002923709,-2.722294498,20.11403613,2.873433732,2.10099252,23.01945622,11.50972811,16.32996587,23.01945622,3.288493746,11.50975494,1.78E-15,0.020465962,0.002923709,-2.722294498,20.11403613,2.873433732,2.10099252,36.11052007,17.84414892,26.17595947,35.80893277,5.115561824,17.84414896,-0.422222222,0.076894926,0.010984989,-1.795720768,19.13488141,2.733554488,2.066059045,0,11.89,12.11009426,-0.148521395,0.075008929,6.113608975,9.084888987,6,20,19,19,5,1,1,0,0,1,15.304898,3.619371295,2.953347622,2.333552793,2.333552793,2.225322918,0.977127045,0.083923071,0.083923071,1.927005095,1.52948598,1.249629723,1.249629723,1.112399965,0.045491371,0.083923071,0.083923071,3.637760192,2.991875462,2.405454588,2.405454588,2.294225232,1.064312868,0.270913902,0.270913902,1.877329382,1.44647093,1.134540686,1.134540686,1.000294617,0.148662881,0.270913902,0.270913902,3.722590248,3.163443782,2.704236987,2.704236987,2.582340748,1.411894457,0.943918427,0.943918427,1.740319726,1.197865034,0.76031856,0.76031856,0.636663489,0.526334294,0.943918427,0.943918427,3.651517155,3.020418018,2.457539916,2.457539916,2.344258586,1.126803921,0.399277246,0.399277246,1.846492744,1.393125338,1.058262671,1.058262671,0.926052429,0.220504568,0.399277246,0.399277246,3.766311832,3.247382844,2.838982085,2.838982085,2.71295285,1.558158691,1.207644823,1.207644823,1.700471972,1.119779056,0.631337262,0.631337262,0.51182397,0.67020325,1.207644823,1.207644823,3.628379077,3.091825682,2.505389412,2.504705503,2.504705503,1.083368948,0.502994012,0.502994012,1.904615159,1.327202216,0.995723467,0.995723467,0.751411325,0.171271569,0.502994012,0.502994012,0,0,1,0,1,4,0,0,1,0,0,0,0,0,0,0,0,0,0,1.654700538,0.288675135,0.866025404,0.288675135,1.426776695,0.25,0.530330086,0.176776695,2.598076211,0.577350269,0,1.810660172,0.426776695,0,6.077350269,2.943375673,3.520725942,1.732050808,0,0,0,0,0.868192896,0.490562612,0.391191771,0.288675135,0,0,0,0,5.707106781,2.603553391,3.030330086,1.280330086,0,0,0,0,0.815300969,0.433925565,0.336703343,0.213388348,0,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,29,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,3,1,0,1,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.069444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.347569444,0,0,0,0.730208333,0.290277778,0,0.347569444,0,0,0,0,0,0,0,0,8.541666667,3.826388889,0,0,0,0,0,0,0,1.243055556,0,0,0.305555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.243055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.347569444,0,0,0,0.243402778,0.290277778,0,0.347569444,0,0,0,0,0,0,0,0,2.055555556,3.826388889,0,0,0,0,0,0,0,1.243055556,0,0,0.305555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.826388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.347569444,0,0,0,0.243402778,0.290277778,0,0.347569444,0,0,0,0,0,0,0,0,2.162037037,3.826388889,0,0,0,0,0,0,0,1.243055556,0,0,0.305555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.91666667,1.988095238,0.347569444,3.826388889,0.041666667,0.305555556,4.806381944,0.944444444,0.826388889,2.736111111,0.944444444,0.826388889,2.736111111,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.71429,0.14286,0.14286,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.8602,0.98003,8.30939,1.44919,0.20703,2.42902,0.347,2.94337,0.51435,0.07348,0.47063,0.06723,0.47063,0.06723,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.022106113,2.485693612,2.485693612,2.067377667,1.248011019,19.28421252,42.46422837,52.19956586,52.19956586,43.41493102,26.2082314,0.209068641,0.460373402,0.565918483,0.565918483,0.470680388,0.284134979,3.474021589,2.37021131,1.90662381,1.90662381,2.324939755,3.144306404,0.209068641,0.460373402,0.565918483,0.565918483,0.470680388,0.284134979,6.73287657,15.64275278,16.10996786,16.10996786,11.09017652,1.257776745,27.64912502,18.42100773,18.802954,18.802954,16.29305833,6.564250006,7,1.851851852,2.666666667,7,2,4,2.23,1.0519,3.920263408,0,3.298769777,3.789291416,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.155,0.135,0.064,0.154,2.725,9,6,0,0,0,0,0,0,0,28,2.079441542,2.48490665,2.302585093,0,0,0,0,0,0,0,3.555348061,1.214285714,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,5,0.833333333,0,2,3,0.5,3.5,1.333333333,0,0,0,0,0,0,0,0,0.583333333,0.148148148,0,0,0,0,0,0,0,0,0.731481481,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,0,126.9918924,3.807354922,3.433987204,4.110873864,4.934473933,5.666426688,6.475432717,7.221835825,8.026496939,8.776630098,9.580040124,71.22619739,2.564949357,0,3.891820298,0,5.379897354,0,6.91671502,0,8.466531277,8.706821323,98.10955045,4.671883355,12.29305504,1.75615072,0,0,0,42,6,3.228,30,1.2229,2.116561414,3.011412209,3.521725732,4.026504672,0,0,0,0,0,73.6156376,100.3594849,96.81001708,23.925122,4.091186443,0,0,0,0,0,277.7186352,379.2035108,486.5262772,262.9321786,125.1588422,0,0,0,0,0,8.892335553,15.06307534,21.62723733,24.39287347,27.05192669,0,0,0,0,0,2.107286619,2.954224617,4.118405739,2.792979861,1.790235939,0,0,0,0,0,175.5375183,328.8078369,449.0921268,592.9001607,744.5717898,0,0,0,0,0,2.9767125,4.187724238,7.124976389,5.848761227,4.026504672,0,0,0,0,0,0.4370085,0.617107812,0.870011179,0.61305613,0.412314078,0,0,0,0,0,351.1211501,141.6346931,10.85549502,167.1810312,-67.43721939,-11.43586148,183.940119,209.0719125,22.2913565,0.677444863,0.273266635,0.020944336,0.322555137,-0.13011178,-0.022064081,181.986858,73.40957036,5.626426746,86.65029312,-34.95285791,-5.927231951,0.132502459,0.245942531,4.223896361,11.74879808,518.3021813,0,1,0,395.3145785,19.88251942,7.339181199,531.3577082,23.05119754,8.099576812,689.4601971,26.25757409,8.834250974,1.148891779,1.117485267,260.8016125,212.0302183,160.182701,1.230020959,1.628150923,1.323677382,3.640420319,3.201922285,5.27386672,0.647093918,4.068092278,4.929674236,5.374655805,14.05417779,7.041797296,15.08027083,12.26793421,10.95634938,3.191534082,0.018065918,2.85E-23,1.06E-65,8.06E-130,1.20E-215,4.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.341405495,4.913902949,0.239361455,8.697665973,1.950413763,2.674271062,0.690854886,0.36651712,0.022478241,1.27E-04,2.01E-25,7.46E-68,5.68E-132,8.48E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.102080425,4.91495732,0.912180587,9.790134,2.334549912,4.475252122,2.233555244,1.547531851,0.234240558,0.001325936,2.09E-24,7.78E-67,5.92E-131,8.84E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.839939651,4.927942865,4.927471291,13.72593396,6.498345355,14.06205773,11.26895334,9.961145127,2.843599412,0.016096408,2.54E-23,9.44E-66,7.18E-130,1.07E-215,4.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.62426624,4.916323911,1.485515025,10.54034932,2.792767145,5.928721514,3.536172836,2.649420631,0.50880178,0.002880111,4.54E-24,1.69E-66,1.29E-130,1.92E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.912847316,4.936954308,7.181169419,15.26988254,9.317102539,19.14402038,16.29625688,15.03502431,4.654552496,0.026347444,4.16E-23,1.54E-65,1.18E-129,1.76E-215,5.9E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.240893204,3.26173207,1.916776138,11.05606323,3.303131885,8.556682676,5.184381535,3.882992803,0.807467638,0.004570731,7.21E-24,2.68E-66,2.04E-130,3.05E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.257484076,1.718760446,1.028185129,0.451097175,0.343447818,0.529637478,0.528444755,0.408481366,5.004429652,7.968389826,16.96225421,0.191817489,1.466563599,1.599781838,1.068335754,0.567709854,0.494396523,0.330158444,0.27787667,0.221926301,0.124532563,3.235827447,3.223820786,7.429923493,0.241594784,0.624335534,1.856788841,1.330874231,0.750595763,0.471474557,0.337934678,0.368459881,0.338089443,0.217691826,3.938258836,4.863798818,10.65689419,0.214113853,0.92424115,2.24078289,1.703076088,1.016785066,0.45171209,0.343317536,0.522429297,0.520537307,0.399473471,4.960644044,7.82628067,16.66720404,0.192544439,1.442440076,1.973145088,1.446100823,0.832115506,0.464120759,0.340150056,0.412773853,0.393135034,0.267545133,4.251361417,5.698574278,12.3242664,0.206406222,1.07345402,2.309901402,1.767733615,1.063875681,0.449265116,0.343815995,0.552548799,0.553207266,0.437332079,5.141510698,8.421387088,17.9070111,0.189621667,1.543088143,2.242849389,1.709910305,1.015618166,0.451424882,0.344158668,0.525066026,0.529365171,0.398557107,4.968377861,7.849565837,16.71291176,0.193375325,1.452988304 +UMLS0140,L,"2,3,3-trimethyl-1-butene",CC(=C)C(C)(C)C,11669,,"Sandia, UML",[1],C7H14,PubChem,,10,0,2.0911,4.37269921,24.213,14.134344,0,0,13,5,8,0,5,0,0,0,0,0,0,0,0,0,729.449117,673.913188,681.025636,458.027474,130.215456,12.192768,0,0,0,2366.254464,2611.960538,2829.546749,2453.346433,1427.119864,373.0049332,0,0,0,91.450292,87.10312,134.132368,114.72788,131.642496,80.621568,0,0,0,17.50140324,20.06395448,23.17624481,21.16742034,15.13695924,5.335354858,0,0,0,2113.312997,1732.157806,3026.58137,2397.30438,3195.484345,2219.011824,0,0,0,34.02777778,36.33333333,41,42.33333333,35,12,0,0,0,56.11147054,56.15943233,35.84345453,28.62671712,6.853445053,1.016064,0,0,0,182.0195742,217.6633782,148.9235131,153.334152,75.11157177,31.08374443,0,0,0,7.034637846,7.258593333,7.059598316,7.1704925,6.928552421,6.718464,0,0,0,1.346261788,1.671996207,1.219802359,1.322963771,0.796682065,0.444612905,0,0,0,162.5625382,144.3464838,159.2937563,149.8315238,168.1833866,184.917652,0,0,0,2.617521368,3.027777778,2.157894737,2.645833333,1.842105263,1,0,0,0,0.027814169,-0.006746911,0.00367404,-0.011094575,-0.017554927,0.01781529,0,0,0,372.5107969,-45.8474827,79.5167278,-309.4705082,-125.3642105,214.9100751,0,0,0,692.6997337,-85.25535183,147.8647508,-575.4736249,-233.1201027,399.6344617,0,0,0,0.072972308,-0.008981207,0.015576781,-0.060623148,-0.024557988,0.042099408,0,0,0,3.096690107,-0.38113109,0.661024234,-2.572634858,-1.042155325,1.786551985,0,0,0,16.82126981,-2.070310131,3.590694133,-13.97459338,-5.661004263,9.704578737,0,0,0,5.769230769,-0.979289941,1.702662722,-2.993754109,-3.314431295,2.700197239,0,0,0,0.002139551,-5.62E-04,1.93E-04,-6.93E-04,-9.24E-04,0.001484607,0,0,0,28.65467669,-3.820623558,4.185090937,-19.34190676,-6.598116342,17.90917293,0,0,0,53.2845949,-7.104612653,7.782355307,-35.96710156,-12.26947909,33.30287181,0,0,0,0.005613254,-7.48E-04,8.20E-04,-0.003788947,-0.001292526,0.003508284,0,0,0,0.238206931,-0.031760924,0.034790749,-0.160789679,-0.05485028,0.148879332,0,0,0,1.293943832,-0.172525844,0.188983902,-0.873412086,-0.297947593,0.808714895,0,0,0,0.443786982,-0.081607495,0.089613827,-0.187109632,-0.174443752,0.225016437,0,0,0,-0.26278527,0.090378997,-0.32409175,-0.431839826,0.69388725,0,0,0,-0.133333333,0.146052632,-0.675,-0.230263158,0.625,0,0,0,-0.133333333,0.146052632,-0.675,-0.230263158,0.625,0,0,0,-0.133333333,0.146052632,-0.675,-0.230263158,0.625,0,0,0,-0.133333333,0.146052632,-0.675,-0.230263158,0.625,0,0,0,-0.133333333,0.146052632,-0.675,-0.230263158,0.625,0,0,0,-0.183888889,0.201929825,-0.42162037,-0.393079922,0.507037037,0,0,0,1.423843488,0.788845907,1.109891272,1.385940271,0.152890034,0,0,0,1.3,0.821052632,1.70625,1.026315789,0,0,0,0,1.3,0.821052632,1.70625,1.026315789,0,0,0,0,1.3,0.821052632,1.70625,1.026315789,0,0,0,0,1.3,0.821052632,1.70625,1.026315789,0,0,0,0,1.3,0.821052632,1.70625,1.026315789,0,0,0,0,1.314444444,0.516959064,1.455277778,1.532631579,0,0,0,0,10.89130739,5.445653697,7.828403424,10.89130739,2.178261479,5.456099025,-2.66E-15,0.195542539,0.039108508,-0.815988666,45.95411468,9.190822935,1.913821696,10.89130739,5.445653697,7.828403424,10.89130739,2.178261479,5.456099025,-2.66E-15,0.195542539,0.039108508,-0.815988666,45.95411468,9.190822935,1.913821696,10.89130739,5.445653697,7.828403424,10.89130739,2.178261479,5.456099025,-2.66E-15,0.195542539,0.039108508,-0.815988666,45.95411468,9.190822935,1.913821696,10.89130739,5.445653697,7.828403424,10.89130739,2.178261479,5.456099025,-2.66E-15,0.195542539,0.039108508,-0.815988666,45.95411468,9.190822935,1.913821696,10.89130739,5.445653697,7.828403424,10.89130739,2.178261479,5.456099025,-2.66E-15,0.195542539,0.039108508,-0.815988666,45.95411468,9.190822935,1.913821696,10.89130739,5.445653697,7.828403424,10.89130739,2.178261479,5.456099025,-2.66E-15,0.195542539,0.039108508,-0.815988666,45.95411468,9.190822935,1.913821696,14.45550217,7.12219553,10.23152886,14.32883551,2.865767101,7.124070515,-0.211111111,6.22E-15,1.24E-15,-16.35572444,4000000,800000,7.60090246,0,11.79,12.21002884,-0.271378852,0.15352257,5.001365046,6.931503656,4,12,10,10,2,2,2,0,0,2,8.745656,3.531459287,2.632723562,2.333552793,1.277284021,0.083923071,0.083923071,0.083923071,0.083923071,1.813935259,1.28863236,1.249629723,0.171053109,0.083923071,0.083923071,0.083923071,0.083923071,3.546955933,2.678704445,2.405454588,1.353739584,0.270913902,0.270913902,0.270913902,0.270913902,1.765193234,1.198525087,1.134540686,0.073853837,0.270913902,0.270913902,0.270913902,0.270913902,3.620792589,2.880207989,2.704236987,1.665520874,0.943918427,0.943918427,0.943918427,0.943918427,1.636714362,0.919888443,0.76031856,0.277918207,0.943918427,0.943918427,0.943918427,0.943918427,3.558666782,2.712617795,2.457539916,1.408962432,0.399277246,0.399277246,0.399277246,0.399277246,1.735477752,1.139886776,1.058262671,0.00632799,0.399277246,0.399277246,0.399277246,0.399277246,3.660358463,2.976500194,2.838982085,1.799958955,1.207644823,1.207644823,1.207644823,1.207644823,1.601166361,0.829493593,0.631337262,0.409131989,1.207644823,1.207644823,1.207644823,1.207644823,3.575299202,2.792693266,2.418101788,1.433636319,0.447761194,0.447761194,0.447761194,0.447761194,1.774030448,1.074818206,1.016270507,0.011327833,0.447761194,0.447761194,0.447761194,0.447761194,0,0,1,1,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.25,0,0,0,0.40824829,0,0,0.176776695,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.707106781,1.603553391,1.176776695,0.353553391,0,0,0,0,0.741421356,0.400888348,0.294194174,0.176776695,0,0,0,0,7.167311215,12.55134741,11.90196078,12.04,8.194217964,98.85571497,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,1.66369,23.731,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,2,0,1,0,0,0,0,0,0,0,0,2,1,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.48125,0,0,0,0,0.667361111,0,0.48125,0,0,0,0,0,0,0,0,3.930555556,3.398148148,0,0,0,0,0,2.694444444,0,1.143518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.143518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.48125,0,0,0,0,0.333680556,0,0.48125,0,0,0,0,0,0,0,0,1.965277778,3.398148148,0,0,0,0,0,2.694444444,0,1.143518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.398148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.48125,0,0,0,0,0.333680556,0,0.48125,0,0,0,0,0,0,0,0,1.965277778,3.398148148,0,0,0,0,0,2.694444444,0,1.143518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.16666667,2.233333333,0.48125,3.398148148,0.1875,1.143518519,3.514625,0.523148148,0.398148148,1.185185185,0.523148148,0.398148148,1.185185185,2.5,0.5,0,0,0.45385,0.7,0.41765,0.41765,0.7,0.0362,0.0362,0,0,0.71429,0,0,0.6,0.2,0,4,0.8,2,0.4,2,0.4,0,0,0,0,2.73496,0.54699,4.43249,1.69754,0.33951,1.31271,0.26254,2.27005,0.95734,0.19147,0.14395,0.02879,0.14395,0.02879,0,4,0,0,0,0,0,0,0.5,0.961236605,2.199687795,2.199687795,2.199687795,1.630389377,0.930287903,12.49607586,28.59594133,28.59594133,28.59594133,21.1950619,12.09374274,0.259762806,0.59443957,0.59443957,0.59443957,0.440593416,0.251399286,2.739203113,1.500751923,1.500751923,1.500751923,2.070050342,2.770151815,0.252468347,0.577746977,0.577746977,0.577746977,0.428221012,0.244339685,6.796774065,16.17036613,16.17036613,16.17036613,9.338785117,0.937567436,19.35422196,14.0290313,14.0290313,14.0290313,10.61324079,3.919918362,5,2.25,4,5,3,4,2.01,0.7271,1.144714243,1.889881575,2.381101578,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.104,0.088,0.143,0.175,1.64,4,2,0,0,0,0,0,0,0,15,1.945910149,2.302585093,2.197224577,0,0,0,0,0,0,0,3.36729583,1.866666667,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.5,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,0,89.76346443,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,68.06260026,5.235584635,8.696801932,1.739360386,0,0,0,18,2,3.921,16,1.195555219,2.085417533,3.126417651,3.827126228,4.634211471,0,0,0,0,0,76.24542778,87.98729165,97.76468396,28.00143556,4.708655445,0,0,0,0,0,281.4991237,347.8851231,498.6989087,300.8298787,144.048645,0,0,0,0,0,8.707179791,14.80479285,22.44440311,26.580235,31.13478294,0,0,0,0,0,2.114371785,2.770054866,4.240920488,3.155903531,2.060430224,0,0,0,0,0,170.7605571,326.2845975,466.7892539,638.5779325,856.9475043,0,0,0,0,0,3.736105,4.850862334,8.487324276,7.281397017,4.634211471,0,0,0,0,0,0.437671066,0.580900067,0.896544341,0.69105184,0.474543255,0,0,0,0,0,228.9410775,62.4725752,7.830715509,92.55338124,-25.25561656,-5.74663938,136.3876963,87.72819176,13.57735489,0.712115159,0.194319291,0.024357233,0.287884841,-0.078556926,-0.01787477,73.60328782,20.08458675,2.517531644,29.75539921,-8.119540778,-1.847512717,0.198171605,0.333561628,5.760525825,11.09848705,321.4944588,0,1,0,297.5481296,17.24958346,6.676042225,378.0253792,19.44287477,7.230588608,410.5273142,20.26147364,7.432142351,1.602241105,1.522849755,190.2196703,137.2309262,60.67567185,1.386128298,3.135023716,2.261712512,3.280595102,3.291486397,5.373743733,0.632619153,3.423145856,2.040658872,1.988026212,3.961610245,0.25379234,2.868353937,2.567418548,3.788103432,1.561445422,0.204171725,9.27E-18,8.16E-56,1.39E-115,4.54E-197,2.87E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.287495017,2.036936631,0.152001491,2.788174945,0.021295327,0.583381239,0.163039236,0.20218042,0.010997398,0.001437998,6.53E-20,5.75E-58,9.76E-118,3.20E-199,2.02E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.927548203,2.037185423,0.500457689,2.962547899,0.068746123,1.005990441,0.560852884,0.728920079,0.114601287,0.014985049,6.80E-19,5.99E-57,1.02E-116,3.33E-198,2.10E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.231183559,2.040250226,1.86631651,3.866725392,0.239556634,2.712973694,2.387333957,3.495974456,1.391219767,0.181913331,8.26E-18,7.27E-56,1.23E-115,4.04E-197,2.55E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.36692465,2.037507936,0.747475588,3.101593911,0.101321627,1.30910426,0.861544624,1.1514455,0.248929282,0.03254953,1.48E-18,1.30E-56,2.21E-116,7.24E-198,4.57E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.133895841,2.042377162,2.44923279,4.339095405,0.306503484,3.461251418,3.271535094,4.952158908,2.277221367,0.297765272,1.35E-17,1.19E-55,2.02E-115,6.62E-197,4.18E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.572194649,1.379654062,0.838588626,3.021409194,0.114611463,1.615241243,0.895732289,1.317081958,0.313054383,0.040934407,1.86E-18,1.64E-56,2.78E-116,9.10E-198,5.75E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.869576294,1.600321974,0.291162103,0.602717897,0.336127217,0.483389408,0.556071685,0.396556991,4.761060371,5.89371098,11.99185935,0.408267671,1.436018085,2.003839106,0.834879901,0.05643272,0.692136128,0.288371726,0.235713164,0.151098288,0.015259669,2.895151728,1.833161631,4.822723324,0.538204192,0.402071122,2.324363201,1.117996028,0.143613978,0.648181977,0.311769208,0.317151807,0.271079984,0.098122186,3.585973208,3.09299973,7.052172362,0.472272965,0.686353977,2.845628016,1.579124188,0.284692996,0.604238481,0.335310025,0.47535462,0.541411325,0.37940025,4.709445201,5.753295995,11.74203765,0.40932276,1.396166196,2.476650523,1.252649258,0.184895758,0.632735513,0.320027256,0.360071929,0.340418704,0.161875798,3.914195539,3.791906151,8.279717565,0.44910327,0.862366431,2.945486015,1.667518502,0.311662275,0.598108692,0.338605346,0.509302584,0.603842656,0.453362096,4.924666792,6.34935191,12.80479547,0.405071057,1.566507337,2.85894105,1.570595322,0.283124746,0.6066511,0.333271433,0.479812758,0.535577333,0.375235493,4.712661117,5.744350796,11.72830981,0.40997665,1.390625584 +UMLS0141,L,"3-methyl-1,2-butadiene",CC(=C=C)C,11714,,"Sandia, UML",[1],C5H8,PubChem,,18.6,0,-0.2066,0.04268356,34.6912,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1483.122152,1564.909256,1210.855805,405.887328,45.72288,0,0,3947.642614,5029.877407,6806.459662,7774.63306,7379.004519,4747.615757,1398.768499,0,0,181.25648,180.900988,339.441056,442.613024,503.008052,495.704448,302.33088,0,0,30.31423229,39.56609758,57.48793273,68.17071473,69.15295802,52.0800713,20.00758072,0,0,4342.872585,3643.766351,7584.388218,10167.38237,11815.2405,12360.21782,8321.294341,0,0,42.05555556,49.77777778,74.91666667,96.66666667,112,102,45,0,0,45.09238923,49.11105724,30.89837817,24.83982946,16.81744174,5.637324,1.016064,0,0,151.8324082,201.1950963,141.801243,123.406874,102.4861739,65.93910774,31.08374443,0,0,6.971403077,7.23603952,7.071688667,7.025603556,6.986222944,6.884784,6.718464,0,0,1.165932011,1.582643903,1.197665265,1.082074837,0.96045775,0.723334324,0.444612905,0,0,167.033561,145.7506541,158.0080879,161.3870218,164.1005625,171.6696919,184.917652,0,0,1.617521368,1.991111111,1.560763889,1.534391534,1.555555556,1.416666667,1,0,0,0.03606508,-0.007592148,-0.004692776,7.36E-04,-0.012230799,-0.018098212,0.023845377,0,0,670.5194345,-58.02572029,-45.8474827,-97.42590073,-357.4670917,-292.2777022,515.7841804,0,0,1246.859521,-107.9013047,-85.25535183,-181.1676226,-664.7253213,-543.5028679,959.1227081,0,0,0.131350154,-0.01136684,-0.008981207,-0.019085065,-0.070025349,-0.057255195,0.10103858,0,0,5.574042193,-0.482369036,-0.38113109,-0.809903567,-2.971631468,-2.4297107,4.287724764,0,0,30.27828566,-2.620236259,-2.070310131,-4.399409027,-16.1419493,-13.19822708,23.29098897,0,0,3.487179487,-1.641518738,-0.034023669,0.120808679,0.791913215,-3.118343195,2.137573964,0,0,0.001387118,-3.04E-04,-9.78E-05,1.17E-05,-1.70E-04,-2.51E-04,5.30E-04,0,0,25.78920902,-2.321028812,-0.95515589,-1.546442869,-4.964820718,-4.059412531,11.46187067,0,0,47.95613541,-4.316052187,-1.776153163,-2.87567655,-9.23229613,-7.548650944,21.31383796,0,0,0.005051929,-4.55E-04,-1.87E-04,-3.03E-04,-9.73E-04,-7.95E-04,0.002245302,0,0,0.214386238,-0.019294761,-0.007940231,-0.012855612,-0.041272659,-0.033745982,0.095282773,0,0,1.164549448,-0.10480945,-0.043131461,-0.069831889,-0.22419374,-0.183308709,0.517577533,0,0,0.134122288,-0.06566075,-7.09E-04,0.001917598,0.010998795,-0.043310322,0.047501644,0,0,-0.21893294,-0.070481478,0.008422365,-0.1224641,-0.181213109,0.382012988,0,0,-0.09,-0.037037037,-0.059964727,-0.192515432,-0.157407407,0.444444444,0,0,-0.09,-0.037037037,-0.059964727,-0.192515432,-0.157407407,0.444444444,0,0,-0.09,-0.037037037,-0.059964727,-0.192515432,-0.157407407,0.444444444,0,0,-0.09,-0.037037037,-0.059964727,-0.192515432,-0.157407407,0.444444444,0,0,-0.09,-0.037037037,-0.059964727,-0.192515432,-0.157407407,0.444444444,0,0,-0.489558824,-0.005284926,0.014297386,0.082005719,-0.322916667,0.354166667,0,0,1.755267596,1.115791254,1.017089897,1.176549892,1.094046717,1.58E-05,0,0,1.625,1.222511574,1.14638448,1.191165123,0.940393519,0,0,0,1.625,1.222511574,1.14638448,1.191165123,0.940393519,0,0,0,1.625,1.222511574,1.14638448,1.191165123,0.940393519,0,0,0,1.625,1.222511574,1.14638448,1.191165123,0.940393519,0,0,0,1.625,1.222511574,1.14638448,1.191165123,0.940393519,0,0,0,2.102941176,0.833907782,0.891398226,0.954222835,1.493566176,0,0,0,34.83747069,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,-1.42E-14,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,34.83747069,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,-1.42E-14,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,34.83747069,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,-1.42E-14,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,34.83747069,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,-1.42E-14,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,34.83747069,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,-1.42E-14,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,34.83747069,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,-1.42E-14,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,45.89430528,22.81868042,32.35301007,45.70159695,5.712699619,22.81868042,-0.256944444,0.020425407,0.002553176,-3.112780552,29.74037994,3.717547493,2.714004573,0,11.89,12.11011416,-0.163300884,0.057615317,5.5975625,8.899504327,7,25,25,25,7,0,0,0,0,0,19.677726,3.577695675,3.033823398,2.902564078,2.333552793,2.158359307,1.598026915,1.329697604,0.799536031,1.950107724,1.628453427,1.563026335,1.249629723,1.057981325,0.769718516,0.555576148,0.287378039,3.602154634,3.075526295,2.950308951,2.405454588,2.226915609,1.695309721,1.432278403,0.933671614,1.894348711,1.545612802,1.473453684,1.134540686,0.942839812,0.630337185,0.411006381,0.122169339,3.71082862,3.257090894,3.155598408,2.704236987,2.516544332,2.090117344,1.847433766,1.455685557,1.732743249,1.29281334,1.195492746,0.76031856,0.571605204,0.162386152,0.076857313,0.452313445,3.620233761,3.106183012,2.985267979,2.457539916,2.276884688,1.765276817,1.506010736,1.028753948,1.859050919,1.492022154,1.415133181,1.058262671,0.866733555,0.536857124,0.313865687,0.010007601,3.764417201,3.343853287,3.252217518,2.838982085,2.649131608,2.26277616,2.028147589,1.673886504,1.683119188,1.211463716,1.104407163,0.631337262,0.445263731,0.004703131,0.252046414,0.666588149,3.580498841,3.18532199,3.083474825,2.634654398,2.366470503,1.855791473,1.5716612,1.128116863,1.88699292,1.398007425,1.305035835,0.878556837,0.748505711,0.414718268,0.211447329,0.12020106,0,0,0,0,0,4,2,2,0,0,0,0,0,0,0,0,0,0,0,0.5,0,0.166666667,0,0.5,0,0.166666667,0,1.138071187,1.304737854,0.333333333,1.138071187,1.304737854,0.333333333,6.568914101,3.718744015,2.820593172,1.991563832,1.231484176,0,0,0,0.821114263,0.531249145,0.352574147,0.248945479,0.246296835,0,0,0,6.568914101,3.718744015,2.820593172,1.991563832,1.231484176,0,0,0,0.821114263,0.531249145,0.352574147,0.248945479,0.246296835,0,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,43,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.150462963,0,2.68287037,0,0,0,1.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.271990741,0,1.341435185,0,0,0,0.87962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.303240741,0,1.341435185,0,0,0,0.953703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.708333333,0.2,2.303240741,0.2,0.87962963,6.025310185,0.453703704,0.303240741,2.300925926,0.453703704,0.303240741,2.300925926,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0.25,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.08078,1.1351,9.08078,0,0,3.71873,0.46484,3.71873,0,0,0.19527,0.02441,0.19527,0.02441,0,7,0,0,0,0,0,0,1,0.89049164,1.352030102,2.430457026,2.862961352,2.628835904,2.141910926,23.15278265,35.15278265,63.19188266,74.43699516,68.34973349,55.68968407,0.189448582,0.287639068,0.517070141,0.609083729,0.559274464,0.455683097,3.809948078,3.348409616,2.269982693,1.837478366,2.071603814,2.558528792,0.191756937,0.291143835,0.523370433,0.616505171,0.566088999,0.461235413,6.648700044,12.18716158,15.81068299,15.08187147,14.02338128,8.416499269,31.72521615,23.41346491,20.82594038,22.26853035,19.67154262,14.53242082,8,3.9375,2.8125,8,0,5,2.34,1.2358,1.683693072,3.509530701,4.298279727,0,0.5,2.828427125,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,3.31,8,8,5,0,0,0,0,0,0,36,2.079441542,2.197224577,2.197224577,1.791759469,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,2,4,1,2,1.111111111,0.625,0,0,0,0,0,0,0,0.285714286,0.138888889,0.078125,0,0,0,0,0,0,0,0.502728175,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,0,146.9243357,4,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,72.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.389132521,114.1408506,4.390032714,14.50113758,1.812642197,0,0,0,67,8,4.77,30,1.2278,2.116942009,2.890690877,3.528596142,4.132140447,4.3327157,0,0,0,0,71.2221278,74.49919381,79.84960211,63.02420955,22.98088678,4.402316445,0,0,0,0,272.5498825,326.3003669,379.4586064,377.8491409,270.1064129,134.6770275,0,0,0,0,8.919363223,15.03016952,20.35934474,24.711296,28.43761771,29.10919445,0,0,0,0,2.081648384,2.695254639,3.265893871,3.505412155,2.970021323,1.926381313,0,0,0,0,176.77647,330.1832551,462.903554,574.4099365,710.2615072,801.1956141,0,0,0,0,2.496728889,3.41633496,4.54786457,5.629259083,5.825615065,4.3327157,0,0,0,0,0.4321989,0.568411947,0.694088941,0.753886931,0.656153289,0.443670088,0,0,0,0,371.5176786,164.1672059,8.997885567,144.0348237,-63.64648554,-8.448576584,227.4828549,227.8136915,17.44646215,0.720620455,0.318429656,0.017452899,0.279379545,-0.123452966,-0.016387422,191.5368689,84.63681382,4.63888242,74.25751377,-32.81310489,-4.355684799,0.068116254,0.146923288,0.873985219,8.122908046,515.5525023,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,789.5810691,28.09948521,9.24270111,1.310755992,1.079729203,412.8023231,322.6413157,201.5450191,1.279446565,2.048189159,1.600839937,4.06011539,3.220218461,6.42424645,0.994972244,5.020210116,6.998742132,4.443943251,25.76328326,8.973577028,8.762590663,12.21431452,19.66810752,4.64749678,5.892806661,0.856847675,1.126710554,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421311436,6.641857987,0.273717616,9.632431182,1.07224249,2.100169938,0.740733364,0.886866376,1.020548014,0.078673318,0.006035917,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.36004468,6.665709896,0.948980455,11.88829835,1.638320707,2.868580356,2.366599633,3.365561985,1.360211116,0.52799507,0.062890516,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.738668827,6.959560866,4.12639298,24.40898435,8.119556589,8.145457723,11.25856482,18.03899481,4.283712223,5.275978254,0.763436588,1.003878819,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.00445563,6.696631338,1.464776098,13.74472297,2.337718176,3.571708022,3.695341534,5.469423332,1.712347729,1.055409531,0.136603976,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.062630795,7.163493128,5.690371494,31.19409337,12.55608542,11.28516008,16.04068002,26.24423159,6.155368459,8.472867128,1.249628322,1.643201452,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.12182802,5.684237802,2.244697555,16.06555888,3.729449733,4.677358484,6.038531587,9.162306394,2.818627232,2.184854302,0.293606345,0.386070957,2.75E-15,3.78E-51,1.00E-108,5.12E-188,5.05E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.074025219,1.781052037,0.961359942,0.528506561,0.306210138,0.457401346,0.459093694,0.41222919,5.816437198,10.14247567,21.22235747,0.292759841,1.328724229,2.339972777,1.279096355,0.487854151,0.569762963,0.311448807,0.265616525,0.240153122,0.107502923,4.106923283,4.758628548,10.32572401,0.354644444,0.613272569,2.642416221,1.485821343,0.683278519,0.549185782,0.308805233,0.338339114,0.32206611,0.209884912,4.811516083,6.746894467,14.24107026,0.323778672,0.870290135,3.056914392,1.769341895,0.950352406,0.529188414,0.306294227,0.45233885,0.453211487,0.40297755,5.776608693,9.995370978,20.91217611,0.293782621,1.308527887,2.772481674,1.574758248,0.767173742,0.542091793,0.307905921,0.372325857,0.360870776,0.263996086,5.114413663,7.7010767,16.16496201,0.31313769,0.997192719,3.127267816,1.817493092,0.995602851,0.526443824,0.305956532,0.473334867,0.477634474,0.441655921,5.94036376,10.60680571,22.20596467,0.289665737,1.392625263,3.067631537,1.771489602,0.953096127,0.52961265,0.305839633,0.455488325,0.454206068,0.405238512,5.792217266,10.04642499,21.01803097,0.294418975,1.314932905 +UMLS0142,L,2-Methyl-3-ethylpentane,CCC(CC)C(C)C,11863,,"Sandia, UML",[1],C8H18,PubChem,,-0.8,0,1.9611,3.84591321,44.3682,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1811.945363,1730.24881,1091.645693,418.834249,68.749632,3.048192,0,4184.657049,5188.491512,6941.531225,7153.864894,5777.269211,3454.660734,1080.621354,93.25123329,0,148.486212,153.276228,258.0923,299.576872,298.260788,291.380068,162.839808,20.155392,0,30.43545486,38.46263172,53.83398791,57.50203527,50.46311963,35.06558861,13.34643534,1.333838715,0,3360.161029,2978.619777,5445.36734,6454.021027,6522.071776,7040.720899,4310.843231,554.7529561,0,43.80555556,53.27777778,76.66666667,85.5,81.83333333,65.5,28,3,0,62.40808843,68.74581643,50.33181564,41.19640024,25.99156412,9.972244024,2.864568,1.016064,0,199.2693833,247.0710244,192.8203118,170.3301165,137.5540288,82.253827,45.02588975,31.08374443,0,7.070772,7.298868,7.169230556,7.132782667,7.101447333,6.937620667,6.784992,6.718464,0,1.449307374,1.831553891,1.495388553,1.369096078,1.201502848,0.834894967,0.556101472,0.444612905,0,160.0076681,141.839037,151.2602039,153.6671673,155.2874232,167.6362119,179.618468,184.917652,0,2.085978836,2.537037037,2.12962963,2.035714286,1.948412698,1.55952381,1.166666667,1,0,0.046050618,-7.60E-04,-0.007650617,-0.007931562,-0.024413667,-0.001953469,0.015368504,0.004315177,0,622.6251891,4.05E-13,56.82690218,-86.47572071,-536.1494684,-138.3611531,326.1370038,66.70984169,0,1157.798126,-5.68E-14,105.6720512,-160.8052953,-996.9928309,-257.2884725,606.4656852,124.0497992,0,0.121968,1.87E-15,0.011132,-0.01694,-0.105028,-0.027104,0.063888,0.013068,0,5.175896322,1.00E-14,0.472403236,-0.718874489,-4.457021833,-1.150199183,2.711183788,0.55456032,0,28.11555097,4.49E-14,2.566101874,-3.904937635,-24.21061333,-6.247900215,14.72719336,3.012380461,0,4.216931217,-0.498677249,0.595049131,-0.084656085,-2.835978836,-1.548941799,1.847316704,0.417422525,0,0.002192887,-3.62E-05,-2.13E-04,-1.89E-04,-5.81E-04,-4.65E-05,6.40E-04,0.001438392,0,29.64881853,1.93E-14,1.578525061,-2.058945731,-12.76546353,-3.29431317,13.58904183,22.2366139,0,55.13324411,-2.71E-15,2.935334756,-3.828697507,-23.73792455,-6.125916012,25.26940355,41.34993308,0,0.005808,8.91E-17,3.09E-04,-4.03E-04,-0.002500667,-6.45E-04,0.002662,0.004356,0,0.246471253,4.78E-16,0.013122312,-0.017116059,-0.106119567,-0.027385695,0.112965991,0.18485344,0,1.33883576,2.14E-15,0.071280608,-0.092974706,-0.576443175,-0.148759529,0.613633057,1.00412682,0,0.200806248,-0.023746536,0.016529143,-0.002015621,-0.067523306,-0.036879567,0.076971529,0.139140842,0,-0.016496526,-0.096912048,-0.086117864,-0.265074258,-0.021210021,0.292014342,0.655935523,0,6.50E-16,0.053240741,-0.069444444,-0.430555556,-0.111111111,0.458333333,0.75,0,-4.91E-17,0.053240741,-0.069444444,-0.430555556,-0.111111111,0.458333333,0.75,0,1.53E-14,0.053240741,-0.069444444,-0.430555556,-0.111111111,0.458333333,0.75,0,1.94E-15,0.053240741,-0.069444444,-0.430555556,-0.111111111,0.458333333,0.75,0,1.60E-15,0.053240741,-0.069444444,-0.430555556,-0.111111111,0.458333333,0.75,0,-0.11825596,0.082313885,-0.010037641,-0.336260979,-0.183657465,0.383312422,0.692910916,0,1.070326308,1.023853146,1.07960917,1.275491815,0.944577253,0.463057509,0.321522682,0,1.111111111,0.972222222,1.064814815,1.388888889,0.972222222,0.324074074,0,0,1.111111111,0.972222222,1.064814815,1.388888889,0.972222222,0.324074074,0,0,1.111111111,0.972222222,1.064814815,1.388888889,0.972222222,0.324074074,0,0,1.111111111,0.972222222,1.064814815,1.388888889,0.972222222,0.324074074,0,0,1.111111111,0.972222222,1.064814815,1.388888889,0.972222222,0.324074074,0,0,1.254705144,0.843527813,0.941028858,1.339397742,1.143350063,0.39523212,0,0,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,36.23576186,17.81607589,25.97236485,36.17883457,4.019870507,17.81607597,-0.102469136,0.37732554,0.04192506,-0.877182266,72.05083751,8.005648612,3.849634752,0,11.89,12.11013444,-0.153436031,0.066826687,5.60477583,8.758382517,9,21,18,15,3,3,0,0,0,6,13.118484,3.815451989,3.075118137,2.865431575,2.491428186,2.065863181,1.546866472,0.758537801,0.747197571,2.001089275,1.602785818,1.412022506,1.039832623,0.874599477,0.593247241,0.240146238,0.01471024,3.826248511,3.108616922,2.897776128,2.527345752,2.126045991,1.635373201,0.883828322,0.860754725,1.96965727,1.524738108,1.327729192,0.956313159,0.765275453,0.471444993,0.072641088,0.118207023,3.876099621,3.262098246,3.05086035,2.686069931,2.379384915,1.993484364,1.399095904,1.311220731,1.886586455,1.293564866,1.083183019,0.718064375,0.427869257,0.058398234,0.508412398,0.608368734,3.834319181,3.133690294,2.922237609,2.553825451,2.169785349,1.699057902,0.975709513,0.941301543,1.950554195,1.474727355,1.27402322,0.903816696,0.694237042,0.389755254,0.041045521,0.211082119,3.902039899,3.339127454,3.130478172,2.764392088,2.496632893,2.148060088,1.618834385,1.501590733,1.863064053,1.222463142,1.01057788,0.645649001,0.316911535,0.092088778,0.723335556,0.795599327,3.839034369,3.139635782,2.976334468,2.618386285,2.227845203,1.737148036,1.089192619,1.015538651,1.948311357,1.441557916,1.19230821,0.828731117,0.622025831,0.32252006,0.167128766,0.28778457,0,0,0,4,2,2,1,0,0,0,0,0,0.083333333,0.142258898,0,0,0,0.027777778,0.047419633,0.402368927,0,0.11785113,0,0.24639964,0,0.058925565,0,1.069035594,1.408291245,1.304737854,0.590704015,0.686226046,0.511653807,6.690234444,4.342535255,3.43006888,2.813496153,1.999552237,1.209772801,0.469913203,0.176776695,0.743359383,0.482503917,0.311824444,0.216422781,0.153811711,0.1008144,0.078318867,0.058925565,6.016507858,3.388010441,2.280038013,1.642156173,1.006776424,0.470606092,0.168143667,0.058925565,0.668500873,0.376445605,0.207276183,0.126319706,0.07744434,0.039217174,0.028023944,0.019641855,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,2.27702,39.46,37.21619288,52.5703477,74.43238575,8.270265084,37.21619288,0.046958593,0.005217621,-2.752640152,68.11258832,7.568065368,3.799045842,67,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,4,0,0,0,0,0,0,0,0,2,0,1,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.35333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.619375,0,0.645277778,0,0,1.619375,0,0,0,0,0,0,0,0,4.334490741,0,1.145509259,0,0,8.494537037,0,0,0,0,2.858796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.402777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.390972222,0,0.285972222,0,0,0.390972222,0,0,0,0,0,0,0,0,2.15162037,0,1.145509259,0,0,2.07787037,0,0,0,0,1.402777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.175925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.417430556,0,0.359305556,0,0,0.417430556,0,0,0,0,0,0,0,0,2.18287037,0,1.145509259,0,0,2.175925926,0,0,0,0,1.456018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.83333333,1.87037037,0.417430556,2.18287037,0.131944444,1.145509259,5.536261296,0.354490741,0.18287037,1.658055556,0.354490741,0.18287037,1.658055556,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.22222,0.22222,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.47,0.60778,9.99821,4.52821,0.50313,2.30382,0.25598,4.34252,2.0387,0.22652,0.07148,0.00794,0.15748,0.0175,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.392317423,3.272804327,3.463280518,3.517816091,3.748994804,20.68979086,50.23866588,68.72889087,72.72889087,73.8741379,78.72889087,0.224307135,0.544659503,0.745120175,0.788485937,0.800902064,0.853534579,3.407089287,2,1.119513095,0.929036905,0.874501332,0.643322619,0.214882485,0.521774698,0.713812671,0.755356345,0.767250788,0.817671857,6.75154531,17.86857762,21.89657578,22.08854245,24.23725238,23.42336627,33.82580122,24.64405706,18.90378553,18.37337889,16.02690347,16.55066085,7.111111111,3.239669421,1.704142012,2,6,2,2.45,1.1391,0.25,3.377018974,2.149139864,0,5.085675265,5.676240019,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.395,11,13,13,12,6,3,1,0,0,77,2.564949357,3.068052935,3.548179572,3.929371644,4.298135385,3.725693427,3.168897455,2.151035195,0,0,5.596800274,3.487824675,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,3,0.333333333,0,3,5,0.666666667,1.5,1.111111111,0.5,0.262222222,0.0625,0,0,0,0,0,0.166666667,0.101010101,0.05,0.052444444,0.0625,0,0,0,0,0,0.432621212,19.67321585,27.79929374,39.34643171,4.371825745,19.67321587,0.085014734,0.009446082,-2.218437623,74.26283141,8.251425712,3.876849519,0,133.0544855,4.169925001,3.713572067,4.48863637,5.283203729,6.075346031,6.874198495,7.669961995,8.469472455,9.266058861,10.06564892,79.90609892,2.944438979,0,4.143134726,0,5.579729826,0,7.115582126,0,8.689296048,8.925587339,120.0939004,5.718757161,17.54892744,1.949880827,0,0,0,86,10,3.33,40,1.233966845,2.155093317,3.000666189,3.819210269,4.420215118,4.777148637,6.220278543,0,0,0,94.26734244,118.7051746,131.6302254,103.7908291,45.61340059,14.80906016,6.320201097,0,0,0,326.927337,443.1414145,534.7234087,540.4876822,367.2491985,223.5774916,193.3495485,0,0,0,9.036759105,15.50629783,21.45958117,27.16518487,30.6712233,32.4533896,41.79071746,0,0,0,2.379713299,3.386138227,4.254589692,4.687961117,3.710644342,2.724406816,2.765616112,0,0,0,173.1445827,322.0546381,456.9986303,589.8320892,740.6386675,854.8402013,1150.239303,0,0,0,3.225409968,4.753000374,6.276400712,7.584604518,6.907612954,5.674736759,6.220278543,0,0,0,0.489733493,0.703952203,0.891019855,0.995442579,0.809070336,0.612688146,0.636956523,0,0,0,259.5801144,120.1504104,10.44255981,99.94381434,-46.26044003,-5.266602834,159.6363001,166.4108505,15.70916264,0.722010675,0.334193084,0.029045521,0.277989325,-0.12867138,-0.014648824,93.32526254,43.1969476,3.754350127,35.93219278,-16.63173514,-1.893469742,0.134028234,0.132854339,3.371181196,1.796578619,359.5239287,0,1,0,666.9778556,25.82591442,8.737163679,784.0715378,28.00127743,9.221153035,1144.579632,33.83163656,10.46040913,1.347313736,1.347313736,474.6571509,338.7134069,177.4974476,1.401353301,2.674163248,1.908271986,3.998773862,3.785524729,6.661528955,0.759737271,3.673559607,3.820521846,4.590786654,10.23740683,4.813842919,6.319166611,6.877168027,7.357090679,3.122708575,3.634518214,1.761155313,0.549171909,1.80E-05,4.16E-31,1.96E-78,1.86E-147,3.51E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0.30840601,3.820354291,0.274931965,4.666165069,1.86286297,1.323321946,0.563264368,1.002141587,0.537807051,0.196045131,0.078625717,0.003867863,1.27E-07,2.93E-33,1.38E-80,1.31E-149,2.47E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0.995305602,3.820365864,0.9595795,5.33783913,2.197420708,2.070768121,1.745147155,1.98526584,0.926787916,0.70466418,0.299395334,0.040306111,1.32E-06,3.06E-32,1.44E-79,1.37E-148,2.58E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,3.467547315,3.820503583,4.257125,9.731648482,4.538447208,5.916989534,6.452810772,6.85694252,2.915412043,3.355653106,1.614755282,0.489302284,1.61E-05,3.71E-31,1.75E-78,1.66E-147,3.13E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,1.466840637,3.820380527,1.487857196,5.93714934,2.506599524,2.664721625,2.588219267,2.753399647,1.234979925,1.111194132,0.487370178,0.087550259,2.87E-06,6.64E-32,3.13E-79,2.97E-148,5.59E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,4.436330396,3.820598555,5.905038706,12.29699651,5.941078111,7.917628514,8.491318928,9.335062998,3.945927727,4.744652664,2.352482511,0.800915617,2.63E-05,6.07E-31,2.86E-78,2.71E-147,5.12E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,2.020531525,3.398089614,2.053022472,6.382626863,3.002149286,3.285271819,3.625681586,3.729530452,1.715392115,1.67143586,0.749658872,0.156983167,5.15E-06,1.19E-31,5.61E-79,5.32E-148,1.00E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,3.667802899,2.169309956,0.445355239,0.583815603,0.345295817,0.515577832,0.504739303,0.339826193,6.282468095,10.55619014,20.38217233,0.393667131,1.360143328,2.765226974,1.307792774,0.174104215,0.651082238,0.307924324,0.2934515,0.184772012,0.051735008,4.247123963,4.325473761,9.202218433,0.476623357,0.529958521,3.080908201,1.609343915,0.269027862,0.62124103,0.324511607,0.364075534,0.279115564,0.1237562,4.959279978,6.220049366,12.51323429,0.431861545,0.766947298,3.640584829,2.143359406,0.437181626,0.585197103,0.344529182,0.507970246,0.492846308,0.327444953,6.221125861,10.33171588,19.9642057,0.394589428,1.328261507,3.238202038,1.759504082,0.316303136,0.609370794,0.331106703,0.402101548,0.33321384,0.171187974,5.314009257,7.278419826,14.39460723,0.41405619,0.906503362,3.755009346,2.252443246,0.471541089,0.579566755,0.347653256,0.54033365,0.543773079,0.381040541,6.47899368,11.29070617,21.75796866,0.390830016,1.465147271,3.646201704,2.144521794,0.436674449,0.585509668,0.344368838,0.509585099,0.493696982,0.326898846,6.227397947,10.34802001,19.98993225,0.394817759,1.330180927 +UMLS0143,L,o-ethyltoluene,CCC1=CC=CC=C1C,11903,,"Sandia, UML",[1],C9H12,PubChem,,8.1,0,1.6606,2.75759236,30.6836,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,913.087565,804.128644,409.689673,100.076256,9.144576,0,0,2914.106344,3494.423905,4149.471199,4039.080402,3174.907034,1527.680798,279.7536999,0,0,125.864664,123.114164,211.6517,218.745616,230.913892,224.10432,60.466176,0,0,22.06875486,27.30703172,35.0937937,35.20091372,31.06407246,18.68581429,4.001516144,0,0,2979.777961,2471.442353,4779.986516,4927.642151,5376.46203,5911.511891,1664.258868,0,0,33.02777778,39.16666667,53.16666667,56,55.5,39,9,0,0,48.76541633,50.97680359,30.43625217,25.93963368,12.41483858,3.032613818,1.016064,0,0,161.8947969,205.5543474,138.3157066,130.2929162,96.20930407,46.29335751,31.08374443,0,0,6.992481333,7.242009647,7.055056667,7.056310194,6.997390667,6.79104,6.718464,0,0,1.226041937,1.606295984,1.169793123,1.135513346,0.941335529,0.566236797,0.444612905,0,0,165.54322,145.3789619,159.3328839,158.9561984,162.9230918,179.136724,184.917652,0,0,1.834876543,2.303921569,1.772222222,1.806451613,1.681818182,1.181818182,1,0,0,0.034021616,2.45E-04,-0.007674848,-0.013650479,-0.01479181,0.013167381,0.005693895,0,0,484.264036,-53.80711511,2.10E-13,-147.9695666,-363.198027,201.7766817,121.066009,0,0,900.5096538,-100.0566282,1.35E-13,-275.1557275,-675.3822403,375.2123557,225.1274134,0,0,0.094864,-0.010540444,5.61E-16,-0.028986222,-0.071148,0.039526667,0.023716,0,0,4.025697139,-0.447299682,1.11E-15,-1.230074126,-3.019272855,1.677373808,1.006424285,0,0,21.86765075,-2.429738973,2.40E-14,-6.681782175,-16.40073807,9.111521147,5.466912688,0,0,3.211419753,-0.886402606,0.112139918,-0.117198217,-2.452417695,0.996656379,0.741512346,0,0,0.00189009,1.44E-05,-2.56E-04,-4.40E-04,-4.48E-04,3.99E-04,6.33E-04,0,0,26.90355756,-3.165124418,6.99E-15,-4.773211824,-11.00600082,6.114444899,13.45177878,0,0,50.0283141,-5.885684011,4.50E-15,-8.875991211,-20.46612849,11.37007139,25.01415705,0,0,0.005270222,-6.20E-04,1.87E-17,-9.35E-04,-0.002156,0.001197778,0.002635111,0,0,0.223649841,-0.026311746,3.70E-17,-0.039679811,-0.091493117,0.050829509,0.111824921,0,0,1.214869486,-0.142925822,7.99E-16,-0.21554136,-0.496992063,0.276106701,0.607434743,0,0,0.178412209,-0.05214133,0.003737997,-0.003780588,-0.074315688,0.030201708,0.082390261,0,0,0.007626523,-0.135352432,-0.23297202,-0.237150982,0.211107196,0.334722178,0,0,-0.117647059,2.60E-16,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.117647059,9.00E-17,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.117647059,3.55E-15,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.117647059,1.65E-16,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.117647059,6.58E-16,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.292252028,0.020951466,-0.021190185,-0.416539251,0.169280503,0.461797213,0,0,1.296598248,1.313658388,1.422936665,1.11930576,0.317143651,0.003801213,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.712638155,0.894521864,1.017454388,1.503866148,0.481237167,0,0,0,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,21.39334399,10.65685718,16.22976098,21.34025757,3.556709594,10.65691428,-0.07962963,0.200050037,0.033341673,-0.965512657,16.1013119,2.683551983,1.667340452,0,11.89,12.11007471,-0.179299839,0.044676237,5.374547771,7.685503879,5,17,16,16,4,1,1,0,0,1,13.118484,3.540555378,2.865081898,2.54719039,1.886949926,1.505228104,0.344109736,0.083923071,0.083923071,1.875841698,1.524168067,1.355045439,0.886289331,0.628155545,0.083923071,0.083923071,0.083923071,3.560860944,2.912206141,2.607820635,1.965600326,1.598567031,0.471800875,0.270913902,0.270913902,1.822394366,1.434128227,1.249691962,0.761335285,0.494736601,0.270913902,0.270913902,0.270913902,3.654148109,3.115970063,2.865056506,2.292469171,1.977444195,0.958553255,0.943918427,0.943918427,1.673556754,1.155751879,0.914278472,0.35373006,0.046732001,0.943918427,0.943918427,0.943918427,3.576033742,2.946779797,2.652048431,2.022602679,1.665721835,0.561964105,0.399277246,0.399277246,1.789077632,1.375576207,1.180401024,0.678418554,0.405290945,0.399277246,0.399277246,0.399277246,3.701951025,3.212402365,2.98380042,2.439582945,2.142927699,1.207644823,1.207644823,1.207644823,1.629890309,1.06500317,0.801509977,0.212776649,0.113509522,1.153230243,1.207644823,1.207644823,3.573923729,2.996587406,2.741671856,2.090246595,1.72662782,0.63283836,0.537313433,0.537313433,1.782690817,1.303003175,1.077246187,0.600742919,0.311645504,0.537313433,0.537313433,0.537313433,0,0,0,1,1,3,1,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.204124145,0,0,0,0.577350269,0.288675135,0,0.40824829,0.204124145,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.78445705,2.426685576,1.488581196,1.050476816,0.204124145,0,0,0,0.797409508,0.485337115,0.297716239,0.262619204,0.204124145,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.51E-16,4.19E-17,-21.5515951,3000004.229,500000.7049,8.948474554,29,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,2,3,0,1,0,0,0,0,0,0,0,0,3,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.606481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.533680556,0.870833333,0,0.316319444,0,0,0,0,0,0,0,0,6.369212963,0,1.190972222,0,2.138888889,0,0,0,0,1.467592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.467592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.243402778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.068287037,0,1.190972222,0,2.138888889,0,0,0,0,1.467592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.138888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.290277778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.162037037,0,1.190972222,0,2.138888889,0,0,0,0,1.467592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.16666667,1.861111111,0.316319444,2.162037037,0.069444444,1.190972222,3.717506944,0.309027778,0.162037037,1.016203704,0.309027778,0.162037037,1.016203704,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.74073,0.79012,5.73058,0.98984,0.16497,2.19415,0.36569,2.80805,0.6139,0.10232,0.10595,0.01766,0.10595,0.01766,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.94471679,2.932999307,3.26633264,3.03467014,2.075522223,16.52932501,35.00490222,52.79398752,58.79398752,54.62406252,37.35940001,0.220218789,0.46636733,0.703369798,0.783307287,0.727751731,0.497736104,3.251629167,2.225208211,1.236925695,0.903592361,1.135254862,2.094402779,0.220218789,0.46636733,0.703369798,0.783307287,0.727751731,0.497736104,6.73287657,16.01742989,18.23479853,18.5707402,15.7907902,5.963359945,23.69925001,14.79422358,13.73834653,13.15338403,11.76340903,9.39649167,6,3.2,3,6,2,5,2.12,0.911,0.908560296,3.301927249,1.889881575,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,2.685,5,4,1,0,0,0,0,0,0,21,1.945910149,2.197224577,2.079441542,1.098612289,0,0,0,0,0,0,3.401197382,1.380952381,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.51E-16,4.19E-17,-21.5515951,3000004.229,500000.7049,8.948474554,0,109.6959078,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,84.09390038,4.671883355,10.6758508,1.779308466,0,0,0,31,4,2.836,20,1.207902002,2.088953167,3.007305918,3.81372954,4.47462431,3.374806794,0,0,0,0,72.21490952,75.08614034,88.4663755,46.22280297,11.07616831,3.42901969,0,0,0,0,273.1493236,322.0981469,421.9108628,374.5239027,188.3373737,104.9016319,0,0,0,0,8.781684225,14.81405178,21.28950672,26.74701851,30.29760614,22.67351795,0,0,0,0,2.07513056,2.646964274,3.599070125,3.669393101,2.383298417,1.500482652,0,0,0,0,173.4838637,327.3292047,473.0537098,616.3246751,808.7181602,624.0613484,0,0,0,0,2.886963058,3.904991597,5.645214026,6.549000547,5.063358374,3.374806794,0,0,0,0,0.430433924,0.557915895,0.763087212,0.794491238,0.539211337,0.345580216,0,0,0,0,282.4985564,99.43929498,8.115585254,60.53865406,-21.30956404,-3.647922159,221.9599023,120.748859,11.76350741,0.823521612,0.289879033,0.023658032,0.176478388,-0.06212027,-0.010634188,96.90751674,34.11137836,2.783947727,20.76701101,-7.309973405,-1.251373042,0.161583694,0.250377291,3.05982531,2.724413745,343.0372105,0,1,0,330.2331781,18.17231901,6.912050483,450.588666,21.22707389,7.666434351,503.2951607,22.43424081,7.954402902,1.259706559,1.237021,281.3794148,160.4530069,133.7580638,1.753656228,2.103644497,1.199576328,3.688906744,3.531235717,5.403298808,0.530143905,4.978962474,4.001838372,4.091070378,12.06407807,6.799877571,2.590547856,7.361123123,7.917010051,4.109279348,1.190454607,7.06E-16,1.16E-52,3.79E-111,2.38E-191,2.89E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.417855135,3.984422146,0.185044888,3.133993342,1.828095882,0.204407221,1.664371592,0.312771147,0.029476241,0.008384469,4.97E-18,8.20E-55,2.67E-113,1.68E-193,2.04E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.348874382,3.985586039,0.701649445,3.887720007,2.549454088,0.631709289,2.624985906,1.241374706,0.302970448,0.087372633,5.18E-17,8.55E-54,2.78E-112,1.75E-192,2.12E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.699734751,3.99992626,3.752644459,11.13917464,6.391682174,2.42332889,6.940835418,7.230880731,3.661661781,1.060673622,6.29E-16,1.04E-52,3.38E-111,2.12E-191,2.58E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.987989908,3.987094991,1.139627479,4.722565876,3.131786673,0.942782775,3.344459077,2.063986851,0.65677763,0.189785034,1.13E-16,1.86E-53,6.04E-112,3.80E-192,4.61E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.01281705,4.009878519,5.456859009,15.91800829,8.429128572,3.233688605,8.998483824,10.70791653,5.991255156,1.736166163,1.03E-15,1.70E-52,5.53E-111,3.48E-191,4.22E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.762498207,3.707413545,1.642220879,5.789959484,4.048992938,1.151696931,4.297242114,3.250833857,1.188378733,0.34369106,2.04E-16,3.36E-53,1.09E-111,6.88E-192,8.35E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.79926232,2.182700441,0.353667424,0.524635746,0.409080158,0.577178361,0.583715837,0.444308946,5.335630185,7.871909037,15.36842989,0.400573856,1.605203144,1.837443289,1.516694328,0.07624512,0.535637983,0.4421356,0.248276204,0.281178969,0.020649952,3.430382736,3.042576439,6.685442111,0.466660373,0.550105125,2.219402625,1.781254301,0.186428254,0.530059105,0.425416304,0.36255456,0.388382838,0.123457763,4.187085181,4.69915596,9.623251776,0.433213114,0.874395161,2.775447202,2.166215195,0.346799229,0.524811826,0.409611594,0.567386704,0.574917502,0.427219618,5.288461627,7.725980614,15.09947408,0.401635129,1.569523823,2.389681081,1.899156112,0.235541413,0.528178848,0.419760652,0.420434876,0.441659793,0.197074072,4.524378606,5.548576202,11.14193064,0.42190925,1.059168741,2.873821621,2.234310821,0.375169908,0.524104169,0.4074754,0.608374816,0.611691442,0.499978043,5.483302349,8.337428321,16.22970068,0.397369354,1.720044301,2.778902388,2.166696087,0.346575775,0.52509654,0.409415107,0.568756644,0.575122216,0.42666925,5.29217425,7.735061554,15.11398134,0.401767471,1.570548109 +UMLS0144,L,3-methyl-2-pentene,CCC(=CC)C,12014, (trans) reported,UML,[1],C6H12,PubChem,,16.2,0,-1.0162,1.03266244,29.2337,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1168.347606,1180.540374,817.342347,254.505888,27.433728,0,0,3461.958223,4376.887272,5667.785137,6040.79007,5365.407829,3184.273894,839.2610996,0,0,160.279036,159.125208,296.687832,377.3094,377.238252,369.98208,181.398528,0,0,26.63610648,34.55010896,48.7938183,54.12917316,51.1099003,36.04986215,12.00454843,0,0,3846.242925,3210.7269,6654.719106,8873.73093,8857.330192,9413.241332,4992.776605,0,0,36.52777778,43.33333333,64.75,78,84,72,27,0,0,44.61329874,48.14991518,27.81780014,21.86185878,15.13596939,4.713072,1.016064,0,0,150.5199227,198.9494215,134.9472652,111.8664828,99.35940425,58.96803508,31.08374443,0,0,6.968653739,7.232964,7.063996,6.987211111,6.985893556,6.85152,6.718464,0,0,1.158091586,1.570459498,1.161757579,1.002392095,0.946479635,0.66759004,0.444612905,0,0,167.2279533,145.9421318,158.445693,164.3283506,164.0246332,174.3192839,184.917652,0,0,1.588164251,1.96969697,1.541666667,1.444444444,1.555555556,1.333333333,1,0,0,0.032527919,-0.006158607,-0.009219332,0.00512233,-0.015191929,-0.005005412,0.014188992,0,0,589.5388264,-58.58770946,-129.0760474,5.492597762,-357.7054292,-57.6722765,302.7794516,0,0,1096.272622,-108.9463475,-240.0224219,10.21372008,-665.1685202,-107.2440608,563.0313194,0,0,0.115486609,-0.01147693,-0.025285112,0.001075962,-0.070072038,-0.011297603,0.059312416,0,0,4.900848691,-0.487040864,-1.073011903,0.045660081,-2.973612774,-0.47943085,2.517011964,0,0,26.62148787,-2.645613702,-5.828617687,0.248026285,-16.15271178,-2.604275988,13.67244894,0,0,2.845410628,-1.09126234,-0.808286074,0.971644612,-0.289224953,-1.397920605,1.192344045,0,0,0.001414257,-2.80E-04,-2.20E-04,9.49E-05,-2.81E-04,-9.27E-05,5.26E-04,0,0,25.63212289,-2.663077703,-3.073239224,0.101714773,-6.624174616,-1.06800512,11.21405376,0,0,47.66402704,-4.952106706,-5.714819569,0.189142964,-12.31793556,-1.986001127,20.85301183,0,0,0.005021157,-5.22E-04,-6.02E-04,1.99E-05,-0.00129763,-2.09E-04,0.002196756,0,0,0.213080378,-0.022138221,-0.025547902,8.46E-04,-0.055066903,-0.008878349,0.093222665,0,0,1.157455995,-0.120255168,-0.138776612,0.004593079,-0.299124292,-0.048227333,0.506386998,0,0,0.123713506,-0.049602834,-0.019244907,0.017993419,-0.005356018,-0.025887419,0.044160891,0,0,-0.197939004,-0.15521073,0.067072627,-0.19892562,-0.065541693,0.371585993,0,0,-0.103896104,-0.119897959,0.003968254,-0.25843254,-0.041666667,0.4375,0,0,-0.103896104,-0.119897959,0.003968254,-0.25843254,-0.041666667,0.4375,0,0,-0.103896104,-0.119897959,0.003968254,-0.25843254,-0.041666667,0.4375,0,0,-0.103896104,-0.119897959,0.003968254,-0.25843254,-0.041666667,0.4375,0,0,-0.103896104,-0.119897959,0.003968254,-0.25843254,-0.041666667,0.4375,0,0,-0.400949221,-0.155560272,0.145444256,-0.043293718,-0.209252971,0.356960951,0,0,1.737280122,1.218871993,0.880446323,1.276185005,0.872761516,0,0,0,1.642857143,1.290816327,1.003968254,1.254960317,0.75297619,0,0,0,1.642857143,1.290816327,1.003968254,1.254960317,0.75297619,0,0,0,1.642857143,1.290816327,1.003968254,1.254960317,0.75297619,0,0,0,1.642857143,1.290816327,1.003968254,1.254960317,0.75297619,0,0,0,1.642857143,1.290816327,1.003968254,1.254960317,0.75297619,0,0,0,2.011035654,1.012490905,0.608517261,1.181239389,1.288624788,0,0,0,28.59389526,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,0,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,28.59389526,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,0,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,28.59389526,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,0,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,28.59389526,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,0,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,28.59389526,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,0,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,28.59389526,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,0,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,35.61550058,17.71548839,24.48262939,35.48369786,5.069099695,17.71548844,-0.18452381,0,0,0,3000009.507,428572.7867,10.43988821,0,11.89,12.11009426,-0.16903964,0.051391638,5.433519118,8.270753521,6,22,22,22,6,0,0,0,0,0,17.491312,3.526648257,2.902564078,2.902564078,2.181727047,1.598026915,1.598026915,0.902587011,0.083923071,1.926688276,1.563026335,1.563026335,1.084438741,0.769718516,0.769718516,0.348066086,0.083923071,3.553367324,2.950308951,2.950308951,2.250821456,1.695309721,1.695309721,1.031979376,0.270913902,1.867720858,1.473453684,1.473453684,0.969245257,0.630337185,0.630337185,0.186460336,0.270913902,3.67134812,3.155598408,3.155598408,2.542033557,2.090117344,2.090117344,1.537209272,0.943918427,1.694987868,1.195492746,1.195492746,0.597291919,0.162386152,0.162386152,0.373444117,0.943918427,3.573079272,2.985267979,2.985267979,2.301138919,1.765276817,1.765276817,1.123795185,0.399277246,1.83022888,1.415133181,1.415133181,0.893065587,0.536857124,0.536857124,0.076887173,0.399277246,3.729063388,3.252217518,3.252217518,2.67505104,2.26277616,2.26277616,1.749263129,1.207644823,1.641383456,1.104407163,1.104407163,0.470453387,0.004703131,0.004703131,0.581393754,1.207644823,3.546267417,3.09326525,3.09326525,2.410795178,1.863601082,1.863601082,1.223645829,0.591549296,1.84276286,1.296046237,1.296046237,0.75828437,0.407298968,0.407298968,0.054141623,0.591549296,0,0,0,0,0,3,3,1,0,0,0,0,0,0,0,0,0,0,0,0.204124145,0,0,0,0.204124145,0,0,0,0.612372436,0.612372436,0,0.612372436,0.612372436,0,5.698670613,3.346065215,2.090770275,1.732050808,0.866025404,0,0,0,0.814095802,0.557677536,0.348461713,0.288675135,0.288675135,0,0,0,5.698670613,3.346065215,2.090770275,1.732050808,0.866025404,0,0,0,0.814095802,0.557677536,0.348461713,0.288675135,0.288675135,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,36,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,6.784722222,0,4.0625,0,0,0,0.986111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.261574074,0,1.354166667,0,0,0,0.986111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.261574074,0,1.354166667,0,0,0,0.986111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.69047619,0.2,2.261574074,0.2,0.986111111,5.308222222,0.347222222,0.261574074,1.569444444,0.347222222,0.261574074,1.569444444,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.42857,0.14286,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.12629,1.01804,7.12629,0,0,3.34606,0.47801,3.34606,0,0,0.06794,0.00971,0.06794,0.00971,0,6,0,0,0,0,0,0,1,0.886540893,1.327484782,2.195349999,2.195349999,1.998673392,1.418701204,20.39044053,30.53214998,50.49304997,50.49304997,45.96948801,32.63012769,0.195982923,0.293460064,0.485314454,0.485314454,0.441836193,0.313624798,3.637021063,3.196077174,2.328211957,2.328211957,2.524888564,3.104860752,0.19880132,0.297680264,0.492293679,0.492293679,0.448190165,0.318134983,6.634953582,11.92628025,12.80093654,12.80093654,10.44081726,5.643054678,27.76507516,20.80617277,22.97686298,22.97686298,21.79680334,14.70080627,7,4.166666667,2.666666667,7,0,5,2.23,1.0949,0.75,4.326748711,1.5,0,1.5,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.039,6,6,3,0,0,0,0,0,0,28,1.945910149,1.945910149,1.945910149,1.386294361,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,6,1,0,2,4,1,1.5,0.666666667,0.375,0,0,0,0,0,0,0,0.25,0.111111111,0.0625,0,0,0,0,0,0,0,0.423611111,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,0,129.6283511,3.807354922,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,66.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921535632,100.1252005,4.353269587,12.6691974,1.809885343,0,0,0,48,6,4.262,24,1.224818182,2.11142556,2.865572383,3.520945155,4.034074112,4.579342432,0,0,0,0,69.72220731,66.73106956,69.18941076,57.19042614,19.88702573,4.652904989,0,0,0,0,268.787596,308.3215324,340.4487016,363.1196725,244.474562,142.3431098,0,0,0,0,8.893455721,14.97034384,20.0722716,24.6357118,27.67100006,30.76614727,0,0,0,0,2.059771149,2.597411395,2.997464361,3.420107467,2.745829823,2.036034741,0,0,0,0,176.6115071,330.5407757,467.2340714,574.6063808,700.7109652,846.8012503,0,0,0,0,2.471818182,3.349874301,4.242267585,5.580003698,5.457580927,4.579342432,0,0,0,0,0.427911136,0.549535126,0.639947731,0.737202911,0.608963727,0.468924665,0,0,0,0,361.4521467,142.6199576,8.823504747,146.8652023,-57.9493278,-8.551359987,214.5869444,200.5692854,17.37486473,0.711075763,0.280572674,0.01735826,0.288924237,-0.114002262,-0.016822877,183.732397,72.49619877,4.485140542,74.6541303,-29.45664868,-4.346804639,0.075673485,0.164556389,1.431314881,9.687743225,508.317349,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,634.4662802,25.1886141,8.59282925,1.609580039,1.20582466,359.6637963,291.4446471,124.2057763,1.234072404,2.895709097,2.346466129,3.842500793,3.220194404,6.42424645,0.994987148,4.462409009,6.050239669,3.745527965,21.15551917,8.458952726,6.744687705,7.963091409,12.66956978,3.321162046,5.62089371,0.856845983,1.126710554,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499054,5.693382889,0.250801218,7.4350724,1.065799878,1.087411198,0.556749033,0.551587494,1.011114361,0.076758213,0.006035905,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928606,5.717232891,0.851481918,9.183071752,1.593348129,1.832914221,1.659001124,2.117151437,1.262628851,0.508038198,0.062890392,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212150083,6.01106138,3.491725256,19.94317538,7.659108672,6.253567929,7.364798649,11.60650425,3.101908389,5.033708709,0.76343508,1.003878819,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738341,5.748151931,1.29728371,10.69556803,2.246936531,2.466198734,2.537263617,3.461458454,1.500612817,1.012060537,0.136603707,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389005176,6.214978167,4.73050097,26.067101,11.81468079,8.727476087,10.34280259,16.97033426,4.22133453,8.076307643,1.249625854,1.643201452,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.765215222,5.104273184,2.04191382,12.62191218,3.718014688,3.594519367,4.187284102,5.845944666,2.413945623,2.136106338,0.299841466,0.394270466,2.81E-15,3.86E-51,1.02E-108,5.23E-188,5.15E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.386729296,1.428111147,0.703893705,0.613678645,0.25877513,0.499942131,0.471706179,0.452641149,5.518734148,8.22576174,17.14896639,0.420517968,1.424289459,2.632081025,0.962227954,0.279539302,0.67944866,0.248390717,0.30215781,0.215239139,0.071548406,3.87384828,3.53741256,8.11923939,0.519172991,0.588945355,2.944634488,1.155154754,0.455369274,0.646439521,0.253592658,0.378064502,0.309495361,0.189721175,4.555158517,5.26842658,11.37252757,0.469659281,0.877281038,3.369289434,1.417341939,0.694093551,0.614752516,0.25860483,0.494812127,0.464666785,0.440154389,5.480724924,8.097805186,16.8931289,0.422128773,1.399633301,3.078342327,1.237699468,0.530554605,0.635155493,0.255374982,0.413131834,0.354987253,0.257438498,4.8465964,6.099958509,12.9680012,0.45273324,1.025557586,3.440950459,1.461593827,0.734360897,0.610432559,0.259290121,0.516060529,0.493927718,0.492568516,5.636905183,8.629508771,17.95971462,0.415648839,1.502556763,3.382773534,1.419338542,0.694933673,0.615380277,0.258200242,0.498773581,0.465753811,0.44106958,5.497045749,8.13845024,16.97208163,0.423070415,1.405596973 +UMLS0145,L,3-Ethylpentane,CCC(CC)CC,12048,,"Sandia, UML",[1],C7H16,PubChem,,-4.3,0,-0.7606,0.57851236,33.6855,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1362.056143,1377.297103,1135.165085,638.87477,178.815168,18.289152,0,3947.642614,5029.877407,6581.332248,7047.588415,6597.333588,4918.116884,2402.602963,559.5073998,0,181.25648,180.900988,339.41734,440.1943,440.146868,435.285704,307.120896,120.932352,0,30.31423229,39.56609758,56.48150844,63.15070202,61.13785345,50.09140373,28.03475758,8.003032287,0,4342.872585,3643.766351,7578.921305,10352.68609,10341.75226,10706.89277,7939.753089,3328.517736,0,40.77777778,48.58333333,74.08333333,89.83333333,94,89,57,18,0,45.09238923,49.11105724,28.37616965,21.86185878,18.01849341,10.14086937,3.9736704,1.016064,0,151.8324082,201.1950963,137.1110885,111.8664828,104.7195808,78.06534737,53.39117695,31.08374443,0,6.971403077,7.23603952,7.071194583,6.987211111,6.986458222,6.909296889,6.8249088,6.718464,0,1.165932011,1.582643903,1.176698093,1.002392095,0.970442118,0.795101647,0.622994613,0.444612905,0,167.033561,145.7506541,157.8941939,164.3283506,164.1547978,169.9506789,176.4389575,184.917652,0,1.568376068,1.943333333,1.543402778,1.425925926,1.492063492,1.412698413,1.266666667,1,0,0.036732028,-0.006133106,-0.011606024,0.003532533,-0.008054322,-0.006857549,0.001295911,0.009456543,0,670.5194345,-58.02572029,-166.9134917,5.01456842,-237.1174496,-153.3025203,68.77122405,206.3136721,0,1246.859521,-107.9013047,-310.3827653,9.324804107,-440.9300228,-285.0725827,127.8830278,383.6490833,0,0.131350154,-0.01136684,-0.032697207,9.82E-04,-0.04644968,-0.030030911,0.013471811,0.040415432,0,5.574042193,-0.482369036,-1.387555375,0.041686213,-1.971162357,-1.274407083,0.571696635,1.715089906,0,30.27828566,-2.620236259,-7.537222819,0.226440171,-10.70738521,-6.922599499,3.105465196,9.316395587,0,3.017094017,-1.074128863,-0.820019724,0.561143984,-0.09270217,-0.272189349,-0.568047337,0.75739645,0,0.00141277,-2.45E-04,-2.42E-04,5.61E-05,-1.28E-04,-1.09E-04,2.88E-05,5.25E-04,0,25.78920902,-2.321028812,-3.47736441,0.079596324,-3.763769041,-2.433373338,1.528249423,11.46187067,0,47.95613541,-4.316052187,-6.46630761,0.148012764,-6.99888925,-4.52496163,2.841845061,21.31383796,0,0.005051929,-4.55E-04,-6.81E-04,1.56E-05,-7.37E-04,-4.77E-04,2.99E-04,0.002245302,0,0.214386238,-0.019294761,-0.028907404,6.62E-04,-0.031288291,-0.020228684,0.01270437,0.095282773,0,1.164549448,-0.10480945,-0.157025475,0.003594288,-0.169958495,-0.109882532,0.069010338,0.517577533,0,0.116042078,-0.042965155,-0.017083744,0.008907047,-0.001471463,-0.004320466,-0.012623274,0.042077581,0,-0.17364765,-0.171147549,0.039689364,-0.090493398,-0.077047187,0.020384086,0.371867595,0,-0.09,-0.134837963,0.00308642,-0.145943563,-0.094356261,0.059259259,0.444444444,0,-0.09,-0.134837963,0.00308642,-0.145943563,-0.094356261,0.059259259,0.444444444,0,-0.09,-0.134837963,0.00308642,-0.145943563,-0.094356261,0.059259259,0.444444444,0,-0.09,-0.134837963,0.00308642,-0.145943563,-0.094356261,0.059259259,0.444444444,0,-0.09,-0.134837963,0.00308642,-0.145943563,-0.094356261,0.059259259,0.444444444,0,-0.370254958,-0.147220255,0.076757048,-0.012680426,-0.03723189,-0.10878187,0.362606232,0,1.709748436,1.255238973,0.90320431,1.119944994,0.997706218,0.704242671,1.55E-08,0,1.625,1.316550926,1.00308642,1.14638448,0.93143739,0.601851852,0,0,1.625,1.316550926,1.00308642,1.14638448,0.93143739,0.601851852,0,0,1.625,1.316550926,1.00308642,1.14638448,0.93143739,0.601851852,0,0,1.625,1.316550926,1.00308642,1.14638448,0.93143739,0.601851852,0,0,1.625,1.316550926,1.00308642,1.14638448,0.93143739,0.601851852,0,0,1.979461756,1.021379249,0.67954944,1.008363685,1.117968434,1.104815864,0,0,37.55753691,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,37.55753691,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,37.55753691,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,37.55753691,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,37.55753691,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,37.55753691,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,45.91670503,22.86113029,33.35540026,45.77087169,5.721358962,22.86113029,-0.194444444,0.063377393,0.007922174,-2.206918446,27.90719191,3.488398989,2.663107544,0,11.89,12.11011416,-0.16903635,0.051416454,5.284176972,8.585129026,7,25,25,25,7,0,0,0,0,0,19.677726,3.547496606,3.095644743,2.902564078,2.430937305,1.936914777,1.598026915,1.378730131,0.895675055,1.939176041,1.670850977,1.563026335,1.239218042,0.942339425,0.769718516,0.643713924,0.346561785,3.573655674,3.136118768,2.950308951,2.491173128,2.015901025,1.695309721,1.486286383,1.025969325,1.881379222,1.590692337,1.473453684,1.133410318,0.817121444,0.630337185,0.496330364,0.184687206,3.689121125,3.311859847,3.155598408,2.747786254,2.345176837,2.090117344,1.917833899,1.533715745,1.712255118,1.346383519,1.195492746,0.797039565,0.406950703,0.162386152,0.00402419,0.376621571,3.592951089,3.165839402,2.985267979,2.53518086,2.073229048,1.765276817,1.563349475,1.118352427,1.844651038,1.5388752,1.415133181,1.063846602,0.733870512,0.536857124,0.397092637,0.074902837,3.745604252,3.395699434,3.252217518,2.866666098,2.493496762,2.26277616,2.104113247,1.746471688,1.659798258,1.26774713,1.104407163,0.684260419,0.264817635,0.004703131,0.185082511,0.58535839,3.566820943,3.242546399,3.106652036,2.647839166,2.176543578,1.874277641,1.665974741,1.228785683,1.855814227,1.450407129,1.283767308,0.927801169,0.598845771,0.397162369,0.26153494,0.065892726,0,0,0,0,0,3,4,1,0,0,0,0,0,0,0,0,0,0,0,0.204124145,0,0,0,0.204124145,0,0,0,0.552585858,0.637136847,0.288675135,0.552585858,0.637136847,0.288675135,6.405777394,3.846065215,2.471197119,1.851623963,1.105171716,0.40824829,0,0,0.800722174,0.549437888,0.35302816,0.264517709,0.221034343,0.204124145,0,0,6.405777394,3.846065215,2.471197119,1.851623963,1.105171716,0.40824829,0,0,0.800722174,0.549437888,0.35302816,0.264517709,0.221034343,0.204124145,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,6.82537037,0,5.507962963,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.262222222,0,1.353518519,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.281574074,0,1.423611111,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.666666667,0.2,2.281574074,0.2,1,6.028398148,0.333333333,0.281574074,1.650740741,0.333333333,0.281574074,1.650740741,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.375,0.125,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.55678,1.0696,8.55678,0,0,3.84606,0.48076,3.84606,0,0,0.06794,0.00849,0.06794,0.00849,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.420277698,2.88181616,2.950063756,2.694448682,23.15278265,34.39789514,62.92722016,74.92722016,76.70165767,70.05566573,0.189448582,0.281462171,0.514904529,0.613095015,0.627614422,0.573233324,3.809948078,3.377443751,2.28016202,1.818623558,1.750375962,2.005991036,0.191756937,0.284891675,0.521178434,0.620565332,0.635261652,0.580217942,6.648700044,11.83875197,15.48127572,15.94642574,16.01520737,12.94782648,31.72521615,24.13720728,22.27517352,20.88988165,20.81657342,16.67704054,8,5.142857143,3.673469388,8,0,6,2.34,1.2358,0.646330407,4.947300964,1.310370697,0,2.941682753,3.363585661,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.538,7,7,5,2,0,0,0,0,0,36,2.079441542,2.079441542,2.079441542,1.791759469,1.098612289,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,7,1,0,3,5,0.666666667,1.5,0.666666667,0.375,0.16,0,0,0,0,0,0,0.214285714,0.095238095,0.053571429,0.032,0,0,0,0,0,0,0.395095238,18.77876845,27.0141576,37.55753691,4.694692113,18.77876847,0.07873304,0.00984163,-2.033353917,29.37794745,3.672243431,2.704195445,0,146.9243357,4,3.36729583,4.043051268,4.744932128,5.442417711,6.150602768,6.853299093,7.562681247,8.266935348,8.976514972,70.40773036,2.708050201,0,3.761200116,0,5.030437921,0,6.388561406,0,7.78113851,8.072467369,114.1408506,4.390032714,14.6658707,1.833233838,0,0,0,72,7,4.831,28,1.2278,2.11761443,2.867314105,3.535642274,4.192595966,4.989712438,6.628040739,0,0,0,71.2221278,68.08752346,70.35652891,72.14687259,51.18786586,23.56276632,6.734513586,0,0,0,272.5498825,313.605011,342.9384914,396.4365536,356.139448,294.5796762,206.0243244,0,0,0,8.919363223,15.02844115,20.08589362,24.7693506,29.04969728,34.18876624,44.5302531,0,0,0,2.081648384,2.634998592,3.010384415,3.597294944,3.522001361,3.333850224,2.946912447,0,0,0,176.77647,330.4239685,467.4711205,575.3980714,706.4092069,869.6715378,1225.641731,0,0,0,2.44583,3.360560698,4.185516642,5.403274775,6.098159913,6.657087708,6.628040739,0,0,0,0.4321989,0.557170835,0.642420151,0.771244323,0.76623773,0.740377391,0.678711372,0,0,0,390.9629591,174.901069,9.558501541,142.6825317,-63.83041344,-8.6679191,248.2804274,238.7314825,18.22642064,0.732626745,0.327747675,0.017911707,0.267373255,-0.119612017,-0.016242841,208.6356201,93.3351668,5.100851245,76.14188963,-34.06281231,-4.625595942,0.066759773,0.145652099,1.067771895,9.481763523,533.6454907,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,751.7055593,27.4172493,9.092484877,1.904241203,1.764330984,566.7375967,500.5117965,130.0229439,1.132316163,4.358750693,3.849411354,4.280903147,4.466158665,7.63628977,0.709811572,5.020210116,7.00510621,3.819058189,24.39434377,11.60890815,7.000494064,7.439062474,12.56563857,7.960317526,8.611440563,3.184614974,3.468104755,1.562544689,1.26780722,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311436,6.64190281,0.271348935,8.433148863,1.088135161,1.095008842,0.543307196,0.60095221,2.181247442,1.052197725,0.024886957,0.055740232,0.128005111,0.00892927,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.36004468,6.666176984,0.908339148,10.32903466,1.82492213,1.866554753,1.496222597,2.198018757,3.006691664,1.871159596,0.239386728,0.322456327,0.415277519,0.093049877,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668827,6.965231145,3.571031093,22.93533284,10.46576545,6.48546875,6.856067306,11.534172,7.481227302,7.8925275,2.838893341,3.107146077,1.472760611,1.129593408,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.00445563,6.697645914,1.371496392,12.03494671,2.749577362,2.525027614,2.285365706,3.545306614,3.678498752,2.648333933,0.51444898,0.633171096,0.614128249,0.202116767,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630795,7.172774538,4.772406117,30.34354084,16.40810584,9.081683872,9.780255152,16.72418371,9.876441377,11.56408163,4.637575143,4.97722063,1.897203098,1.84897768,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.145998298,6.021717001,2.174037903,14.52353689,4.826291347,3.692001165,3.73535275,5.590217255,5.217628734,4.781418987,1.156516672,1.367605751,1.110382886,0.456410599,1.29E-06,2.88E-33,1.23E-81,1.02E-151,1.63E-243,0,0,0,0,0,0,0,0,0,0,0,5.018402834,1.331081255,0.709546992,0.710919498,0.1885643,0.506886086,0.456144373,0.446321135,7.059031082,11.18515928,22.9838947,0.566379247,1.409351594,4.10575412,0.860326028,0.279985731,0.782634876,0.163994515,0.339297254,0.190864238,0.069477413,5.246065878,4.92271871,11.15777458,0.673952315,0.599638905,4.481876686,1.054350644,0.457069804,0.747814865,0.175921637,0.404297863,0.286467214,0.18518964,5.993297134,7.255911909,15.40907849,0.621722297,0.875954717,4.997136788,1.320113305,0.699542261,0.712168258,0.188136293,0.502598996,0.448674738,0.433823672,7.016792354,11.01597017,22.64749365,0.568252387,1.385097406,4.643583729,1.137760454,0.533180387,0.73538137,0.180181491,0.433996074,0.333488603,0.252010756,6.314524571,8.365785263,17.49725427,0.603072055,1.019495433,5.084573034,1.36520818,0.740675849,0.707127932,0.189863894,0.520342171,0.479779087,0.486340142,7.190457063,11.71869787,24.05055686,0.560691898,1.486461401,5.017897722,1.322663581,0.700544934,0.712657579,0.187848832,0.506781165,0.450218965,0.435108598,7.041106236,11.07883867,22.76945502,0.568986368,1.392108728 +UMLS0146,L,3-Ethylhexane,CCCC(CC)CC,12096,,"Sandia, UML",[1],C8H18,PubChem,,-18.9,0,1.9611,3.84591321,44.3682,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1811.945363,1609.182801,1025.099549,530.755682,135.295776,12.192768,0,4184.657049,5188.491512,6941.531225,6928.73748,5275.351979,3400.034448,1582.538586,373.0049332,0,148.486212,153.276228,258.0923,299.553156,295.86578,230.937608,165.234816,80.621568,0,30.43545486,38.46263172,53.83398791,56.49561099,46.4495312,32.07049675,17.36002377,5.335354858,0,3360.161029,2978.619777,5445.36734,6448.554114,6712.842402,5381.928943,4120.072605,2219.011824,0,43.80555556,53.16666667,77.27777778,86.83333333,75.5,55,34,12,0,62.40808843,68.74581643,50.33181564,38.31387621,24.40713212,16.08350552,5.637324,1.016064,0,199.2693833,247.0710244,192.8203118,164.96994,125.6036186,103.0313469,65.93910774,31.08374443,0,7.070772,7.298868,7.169230556,7.132218,7.044423333,6.998109333,6.884784,6.718464,0,1.449307374,1.831553891,1.495388553,1.345133595,1.105941219,0.971833235,0.723334324,0.444612905,0,160.0076681,141.839037,151.2602039,153.5370027,159.829581,163.0887558,171.6696919,184.917652,0,2.085978836,2.531746032,2.146604938,2.067460317,1.797619048,1.666666667,1.416666667,1,0,0.04601962,-3.58E-04,-0.005868395,-0.020339902,-0.007399644,-0.001911997,0.002718902,0.010149633,0,622.6251891,4.05E-13,56.82690218,-207.5417297,-224.8368739,-217.4246692,14.82440927,266.8393668,0,1157.798126,-5.68E-14,105.6720512,-385.9327088,-418.0937678,-404.3104568,27.56662205,496.199197,0,0.121968,1.87E-15,0.011132,-0.040656,-0.044044,-0.042592,0.002904,0.052272,0,5.175896322,1.00E-14,0.472403236,-1.725298774,-1.869073672,-1.807455859,0.123235627,2.218241281,0,28.11555097,4.40E-14,2.566101874,-9.371850323,-10.15283785,-9.81812891,0.66941788,12.04952184,0,4.216931217,-0.60978836,1.206160242,-1.497354497,-1.617724868,-0.86866969,-0.390778534,1.669690098,0,0.00219141,-1.71E-05,-1.63E-04,-4.84E-04,-1.76E-04,-5.79E-05,1.13E-04,8.46E-04,0,29.64881853,1.93E-14,1.578525061,-4.941469755,-5.353258901,-6.58862634,0.617683719,22.2366139,0,55.13324411,-2.71E-15,2.935334756,-9.188874018,-9.954613519,-12.25183202,1.148609252,41.34993308,0,0.005808,8.91E-17,3.09E-04,-9.68E-04,-0.001048667,-0.001290667,1.21E-04,0.004356,0,0.246471253,4.78E-16,0.013122312,-0.041078542,-0.044501754,-0.05477139,0.005134818,0.18485344,0,1.33883576,2.09E-15,0.071280608,-0.223139293,-0.241734235,-0.297519058,0.027892412,1.00412682,0,0.200806248,-0.029037541,0.033504451,-0.035651298,-0.038517259,-0.026323324,-0.016282439,0.139140842,0,-0.007788141,-0.074386328,-0.22099164,-0.080396618,-0.02643927,0.051696198,0.385962731,0,6.50E-16,0.053240741,-0.166666667,-0.180555556,-0.222222222,0.020833333,0.75,0,-4.91E-17,0.053240741,-0.166666667,-0.180555556,-0.222222222,0.020833333,0.75,0,1.53E-14,0.053240741,-0.166666667,-0.180555556,-0.222222222,0.020833333,0.75,0,1.94E-15,0.053240741,-0.166666667,-0.180555556,-0.222222222,0.020833333,0.75,0,1.56E-15,0.053240741,-0.166666667,-0.180555556,-0.222222222,0.020833333,0.75,0,-0.144604768,0.166849645,-0.177540778,-0.191813049,-0.131088172,-0.08108532,0.692910916,0,1.060870967,1.010933383,1.24386906,1.163921443,0.956712779,0.733849505,0.084749746,0,1.111111111,0.972222222,1.157407407,1.111111111,1.11952862,0.810185185,0,0,1.111111111,0.972222222,1.157407407,1.111111111,1.11952862,0.810185185,0,0,1.111111111,0.972222222,1.157407407,1.111111111,1.11952862,0.810185185,0,0,1.111111111,0.972222222,1.157407407,1.111111111,1.11952862,0.810185185,0,0,1.111111111,0.972222222,1.157407407,1.111111111,1.11952862,0.810185185,0,0,1.279799247,0.763017566,1.204516939,1.127666248,1.029998859,0.988080301,0,0,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,36.0445205,17.8821372,26.44963274,35.98759321,3.998621467,17.88213728,-0.102469136,0.342844979,0.038093887,-0.963429201,92.35480443,10.26164494,4.073073957,0,11.89,12.11013444,-0.155069761,0.065305538,5.526181955,8.44400789,9,21,18,15,3,3,0,0,0,6,13.118484,3.811285705,3.122192905,2.817988544,2.468695058,2.072430701,1.606108825,0.85823382,0.431113469,1.999248879,1.626172431,1.376660503,1.035030141,0.841567723,0.699412517,0.27320129,0.083923071,3.822315902,3.153465597,2.850918831,2.506318825,2.131695888,1.696155547,0.975778978,0.537848538,1.967623911,1.55023931,1.290717475,0.949607411,0.739807893,0.570594071,0.109579262,0.270913902,3.873057964,3.298046656,3.007379085,2.671558514,2.377566354,2.065162602,1.459663611,0.963169409,1.883696799,1.327955732,1.040485206,0.704660144,0.423834148,0.133013822,0.452074688,0.943918427,3.830551211,3.176937509,2.875860457,2.5340056,2.174588336,1.761195241,1.06113048,0.61483492,1.94837221,1.501799577,1.235856452,0.89581381,0.673822429,0.483694096,0.001108919,0.399277246,3.8993543,3.371419543,3.088935136,2.75248408,2.488997533,2.227257367,1.669945758,1.207644823,1.859817245,1.260502019,0.966140406,0.629643658,0.317553779,0.023797965,0.65654804,1.136002642,3.838881493,3.168751813,2.937162405,2.590658693,2.252841084,1.800435742,1.171115561,0.660313009,1.939430029,1.480848296,1.15240141,0.825365771,0.591649195,0.409096936,0.125147872,0.534653465,0,0,0,4,2,2,1,0,0,0,0,0,0.083333333,0.142258898,0,0,0,0.027777778,0.047419633,0.49279928,0,0,0,0.284517797,0,0,0,0.837103655,1.146659525,1.24013326,0.424376455,0.503923769,0.482896135,6.690234444,4.325698503,3.54605133,2.62234839,1.930516643,1.331224291,0.534517797,0.201184464,0.743359383,0.480633167,0.322368303,0.218529033,0.14850128,0.102401869,0.076359685,0.067061488,6.016507858,3.382027377,2.342606274,1.490732573,0.932061801,0.559962113,0.196901338,0.073304401,0.668500873,0.37578082,0.212964207,0.124227714,0.071697062,0.043074009,0.028128763,0.0244348,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,2.27702,39.46,36.7912283,50.73939382,73.58245661,8.175828512,36.7912283,0.054065423,0.006007269,-2.625804381,39.92247553,4.435830615,3.318245516,71,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,4,0,0,0,0,0,0,0,0,2,0,1,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.39324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.589444444,0,0.645277778,0,0,1.589444444,0,0,0,0,0,0,0,0,4.299537037,0,1.140555556,0,0,8.611435185,0,0,0,0,2.781805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.35587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.378819444,0,0.285972222,0,0,0.378819444,0,0,0,0,0,0,0,0,2.124166667,0,1.140555556,0,0,2.105324074,0,0,0,0,1.35587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.222222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40875,0,0.359305556,0,0,0.40875,0,0,0,0,0,0,0,0,2.17537037,0,1.140555556,0,0,2.222222222,0,0,0,0,1.425925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.83333333,1.87037037,0.40875,2.222222222,0.144097222,1.140555556,5.538328009,0.359444444,0.222222222,1.821944444,0.359444444,0.222222222,1.821944444,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.22222,0.22222,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.37176,0.59686,9.9286,4.55684,0.50632,2.3029,0.25588,4.32569,2.02278,0.22475,0.08831,0.00981,0.17431,0.01937,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.392317423,3.368042423,3.653756708,3.517816091,3.613054186,20.68979086,50.23866588,70.72889087,76.72889087,73.8741379,75.8741379,0.224307135,0.544659503,0.766803056,0.831851698,0.800902064,0.822584945,3.407089287,2,1.024275,0.738560714,0.874501332,0.779263237,0.214882485,0.521774698,0.734584508,0.79690002,0.767250788,0.788022625,6.75154531,17.86857762,23.03943292,23.32738293,23.19037858,24.33323572,33.82580122,24.64405706,17.536747,16.77850061,17.16610224,15.79906372,7.111111111,3.239669421,2,2,6,2,2.45,1.1391,0.2,3.516759154,1.807204007,0,4.941453946,6.26120069,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.395,11,12,13,13,7,3,0,0,0,77,2.564949357,3.068052935,3.504054767,3.944006051,4.328263187,3.840795496,3.056356895,0,0,0,5.583496309,3.441558442,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,3,0.333333333,0,3,5,0.666666667,2,0.666666667,0.5,0.342222222,0.0625,0,0,0,0,0,0.222222222,0.060606061,0.055555556,0.068444444,0.03125,0,0,0,0,0,0.438078283,20.13973017,29.36341876,40.27946033,4.475495593,20.13973017,0.079991382,0.008887931,-2.273252741,47.43521114,5.270579016,3.473428324,0,133.0544855,4.169925001,3.713572067,4.465908119,5.262690189,6.033086222,6.834108739,7.608374474,8.409830673,9.185125123,9.986495092,79.4991907,2.944438979,0,4.143134726,0,5.556828062,0,7.062191632,0,8.606851063,8.851090688,120.0939004,5.718757161,17.54944621,1.949938468,0,0,0,88,9,3.33,40,1.233966845,2.155024606,3.006602061,3.803575253,4.732338347,5.627310793,5.90603021,0,0,0,94.26734244,118.9857577,123.2933378,103.9474775,80.49995019,31.0266226,6.000904679,0,0,0,326.927337,443.7910469,519.2072207,512.2762041,506.2240303,365.8076947,183.5815336,0,0,0,9.036759105,15.50670926,21.49665094,26.88352142,33.18433047,38.71775749,39.67945135,0,0,0,2.379713299,3.389629213,4.186165788,4.425811404,4.731469263,4.028428089,2.625897248,0,0,0,173.1445827,321.9880536,457.8151978,601.3196506,766.6160736,968.0349704,1092.129239,0,0,0,3.215736753,4.804779339,6.364171796,7.065236819,8.049029972,7.909238475,5.90603021,0,0,0,0.489733493,0.704622443,0.878528449,0.940413619,1.018243483,0.890229874,0.604777493,0,0,0,273.3621505,126.6593352,10.3082173,97.67951143,-45.2587235,-5.035003642,175.682639,171.9180587,15.34322095,0.73674247,0.341361492,0.027781833,0.26325753,-0.121977471,-0.013569915,101.4287466,46.99589024,3.82477808,36.24316825,-16.79287198,-1.868196119,0.134438829,0.132225353,1.778489238,1.268284253,371.0416619,0,1,0,666.9778556,25.82591442,8.737163679,784.0715378,28.00127743,9.221153035,1121.219548,33.48461658,10.38875618,1.580629161,1.357998571,534.1249022,391.5036196,181.5358324,1.364291096,2.942256055,2.156618968,4.193560552,4.001863032,7.138102735,0.783694914,3.673559607,3.820518392,3.862882887,8.972241623,4.024349708,5.514497767,5.89076772,4.441774876,6.001203548,5.287974103,3.262359994,2.512684418,0.14850832,2.05E-06,5.47E-33,2.81E-81,2.78E-151,5.32E-243,0,0,0,0,0,0,0,0,0,0,0,0,0.30840601,3.820354267,0.296883239,4.738655281,0.964935454,1.295409127,0.493010609,0.874350095,0.825867472,0.347228098,0.091285455,0.017890989,0.001045956,1.44E-08,3.85E-35,1.98E-83,1.96E-153,3.75E-245,0,0,0,0,0,0,0,0,0,0,0,0,0.995305602,3.82036561,0.975724002,5.261440042,1.266618686,1.819692579,1.46562783,1.496204909,1.661726367,1.180477549,0.414936222,0.184915109,0.01089967,1.51E-07,4.01E-34,2.06E-82,2.04E-152,3.91E-244,0,0,0,0,0,0,0,0,0,0,0,0,3.467547315,3.820500505,3.627220631,8.592295399,3.722855627,5.137016168,5.514621264,4.185762722,5.606354308,4.923503233,2.953738395,2.238890124,0.132318239,1.83E-06,4.87E-33,2.50E-81,2.48E-151,4.74E-243,0,0,0,0,0,0,0,0,0,0,0,0,1.466840637,3.820379977,1.456292584,5.721678319,1.569563276,2.279635993,2.171655301,1.954661106,2.300999453,1.804516132,0.733205709,0.401183066,0.023675541,3.27E-07,8.71E-34,4.48E-82,4.44E-152,8.49E-244,0,0,0,0,0,0,0,0,0,0,0,0,4.436330396,3.820593517,4.75513867,10.51613572,5.270310901,7.047475801,7.335357244,5.432383889,7.55173713,6.707844232,4.535042443,3.663881474,0.216585427,2.99E-06,7.97E-33,4.10E-81,4.06E-151,7.77E-243,0,0,0,0,0,0,0,0,0,0,0,0,2.020537851,3.329195805,1.903437708,6.277355803,2.125103568,2.995191084,2.890802357,2.522860417,2.922713617,2.655470146,1.186350406,0.71898285,0.042451746,5.86E-07,1.56E-33,8.03E-82,7.96E-152,1.52E-243,0,0,0,0,0,0,0,0,0,0,0,0,4.600745398,2.14214627,0.425526081,0.641807657,0.298831115,0.599068656,0.456810161,0.322663013,7.168417749,12.72474586,24.08692296,0.462711485,1.37854183,3.121693706,1.385814711,0.163683872,0.668286277,0.296672589,0.278005386,0.191005115,0.047525802,4.67119229,5.063895494,10.44319879,0.502429416,0.516536304,3.637194514,1.652390951,0.255372643,0.655946257,0.297998816,0.375830319,0.272329934,0.115951367,5.544958109,7.360882725,14.44064761,0.483919385,0.76411162,4.555958106,2.119555077,0.417641918,0.642303466,0.298816965,0.58752452,0.44730985,0.310795719,7.093155101,12.44457826,23.57073604,0.463455199,1.345630089,3.894907513,1.784269202,0.301009507,0.651302045,0.298363485,0.430378631,0.317562076,0.161224383,5.980186222,8.659049702,16.73112061,0.476953067,0.90916509,4.744293368,2.214464607,0.450782977,0.640295181,0.29886664,0.6368365,0.487864128,0.36217723,7.409540952,13.64295938,25.78845773,0.460442772,1.486877858,4.554889737,2.123182148,0.417059345,0.641973994,0.299244944,0.587233755,0.448868357,0.310018183,7.09513123,12.45601286,23.58446687,0.462960992,1.346120294 +UMLS0147,L,m-ethyltoluene,CCC1=CC=CC(=C1)C,12100,Sandia values from independent api report ,Sandia,,C9H12,PubChem,,1.8,0,-0.1907,0.03636649,25.3479,17.07193,0,0,17,7,10,0,5,0,2,0,0,0,0,0,0,0,1243.417247,1130.35521,1262.775798,1060.759697,744.434131,307.657897,78.738912,9.144576,0,2861.203507,3326.105375,3849.214114,3541.48044,2707.466718,1675.784234,874.9221648,279.7536999,0,131.590652,123.89952,216.4962,221.428316,191.1583,140.266468,83.016576,60.466176,0,19.67703705,23.5201631,29.09877861,27.31646409,20.78698781,14.2329069,9.348943289,4.001516144,0,2854.050872,2371.638531,4591.763082,4834.757802,4064.257244,3113.018667,2028.241198,1664.258868,0,86.52777778,50.25,85.41666667,83.91666667,85.5,50,18,9,0,73.142191,70.64720063,45.09913564,36.57792059,31.01808879,17.09210539,6.561576,1.016064,0,168.3060886,207.8815859,137.4719326,122.1200152,112.8111132,93.09912411,72.9101804,31.08374443,0,7.740626588,7.74372,7.732007143,7.635459172,7.964929167,7.792581556,6.918048,6.718464,0,1.157472768,1.470010194,1.039242093,0.941947038,0.866124492,0.79071705,0.779078607,0.444612905,0,167.8853454,148.2274082,163.9915386,166.7157863,169.3440518,172.9454815,169.0200999,184.917652,0,5.089869281,3.140625,3.050595238,2.893678161,3.5625,2.777777778,1.5,1,0,0.264469009,-0.154357089,0.034969424,0.017611981,-0.006290658,-0.036568843,0.001354781,0.011045898,0,629.8202065,-12.09745997,47.85605381,2.030288727,-283.8122875,-263.7712904,-30.09952586,224.9841179,0,780.5766247,-146.4197851,-39.17543734,-15.89410581,-217.2244316,-109.9554831,-132.6540497,271.0349803,0,1.881607059,-0.015005232,0.573891903,-0.332707571,-0.895370436,-0.722895945,0.190463253,0.260820498,0,3.424768994,-1.080059213,-0.205188776,-0.373622822,-0.523457603,0.311015424,-0.711379077,0.870307568,0,19.34959846,-6.628413839,-0.891443659,-2.729791524,-2.460118467,2.785370734,-3.978143926,4.227741453,0,36.4869281,-0.446847366,8.849961553,-4.861687812,-16.28056517,-11.96655133,1.852364475,4.609861592,0,0.015557001,-0.009647318,0.001248908,6.07E-04,-2.62E-04,-0.002031602,1.13E-04,0.001227322,0,37.04824744,-0.756091248,1.709144779,0.070009956,-11.82551198,-14.65396058,-2.508293822,24.99823533,0,45.91627204,-9.151236571,-1.399122762,-0.548072614,-9.051017984,-6.10863795,-11.05450414,30.11499781,0,0.110682768,-9.38E-04,0.020496139,-0.011472675,-0.037307101,-0.040160886,0.015871938,0.028980055,0,0.201457,-0.067503701,-0.007328171,-0.012883546,-0.021810733,0.017278635,-0.05928159,0.096700841,0,1.138211674,-0.414275865,-0.031837274,-0.094130742,-0.102504936,0.154742819,-0.331511994,0.46974905,0,2.146289889,-0.02792796,0.316070055,-0.167644407,-0.678356882,-0.664808407,0.154363706,0.512206844,0,-0.620127129,0.080279487,0.039037712,-0.016848411,-0.13059088,0.007257082,0.078891944,0,-0.020408287,0.046132945,0.001889697,-0.31919221,-0.395537214,-0.067703441,0.67474812,0,-0.199302691,-0.030471175,-0.011936348,-0.197120053,-0.13303863,-0.24075352,0.655867658,0,-0.008473107,0.185179136,-0.103653668,-0.337063322,-0.362846778,0.14340026,0.261829875,0,-0.335077465,-0.036375855,-0.063951839,-0.108264957,0.085768351,-0.294264234,0.480007352,0,-0.363970845,-0.027971312,-0.082700559,-0.090057885,0.135952584,-0.291256891,0.412707988,0,-0.013012203,0.147263451,-0.07810893,-0.316060233,-0.309747724,0.071921182,0.238647559,0,1.588213108,1.00375449,1.067114552,1.263096974,1.085143009,0.120030664,0.027763671,0,0.99899345,0.924401966,0.94489707,1.362000827,1.378672489,0.768892505,0,0,1.508256898,1.023287726,0.950105474,1.047963518,0.925993868,1.153646708,0,0,0.720275784,0.80377128,1.058805552,1.724335226,1.626421525,0.050416478,0,0,1.799320607,1.053865277,0.998618662,0.942760307,0.667270572,1.175465308,0,0,1.84360627,1.052146795,1.017184003,0.944997434,0.627905538,1.130134602,0,0,0.566412897,0.550316678,1.127155365,2.047156292,1.577429467,0.109628303,0,0,24.87008861,12.68504431,19.9076234,25.22723147,3.60389021,12.6850548,0.5,0.18655486,0.026650694,-1.17532095,23.44694617,3.349563739,2.208318181,24.87937819,12.68895468,19.91266062,25.23547188,3.605067411,12.68896512,0.498531158,0.186251781,0.026607397,-1.176459101,23.44591307,3.349416152,2.208287338,33.26408683,16.23304894,24.89948723,32.69409472,4.67058496,16.23304917,-0.797988956,0.072566896,0.010366699,-1.836272504,40.30367953,5.757668504,2.587509938,24.88912832,12.69305896,19.91794869,25.2441209,3.606302985,12.69306936,0.4969896,0.185933683,0.026561955,-1.177655648,23.44485459,3.349264941,2.208255735,42.34951804,20.09246476,31.13974607,40.80338338,5.829054768,20.09246476,-2.164588529,0.260832208,0.037261744,-0.940714572,31.01902284,4.431288977,2.404220459,25.84558723,13.0959278,20.44227845,26.09292178,3.727560254,13.09593445,0.346268372,0.1547693,0.0221099,-1.306073761,23.46859265,3.352656092,2.208964131,25.19617202,12.85777386,21.16589031,25.60679601,3.658113716,12.85778518,1.172698413,0.322950486,0.046135784,-0.791179383,27.65395846,3.950565494,2.323838217,0,11.99640053,15.99825848,-0.34958612,0.261199352,3.878932686,6.466382089,6,16,15,15,5,1,1,0,0,1,13.80607,3.520948033,3.031096698,2.605962958,2.05770581,1.332142787,1.08612832,0.083923071,0.083923071,1.795102369,1.45631953,1.247422046,0.732749818,0.402640613,0.083923071,0.083923071,0.083923071,3.431948383,2.956147805,2.579893396,2.016762904,1.404835946,0.634216743,0.270913902,0.270913902,1.7662401,1.453600588,1.177209478,0.70965242,0.403848775,0.270913902,0.270913902,0.270913902,3.610440844,3.21532654,2.854355582,2.368254866,1.860283663,1.255949921,0.943918427,0.943918427,1.555365012,1.132846243,0.847889163,0.300126487,0.108614761,0.943918427,0.943918427,0.943918427,3.426544647,2.940795793,2.60261339,2.022446622,1.46627792,0.465144215,0.399277246,0.399277246,1.760473264,1.444818654,1.134137037,0.693306882,0.333498727,0.399277246,0.399277246,0.399277246,3.636246235,3.266558008,2.942332254,2.457607379,2.033868232,1.209058028,1.207644823,1.207644823,1.515228414,1.082231629,0.754713496,0.214932351,0.270787192,1.207644823,1.207644823,1.207644823,4.781489065,3.307075707,3.218665513,2.484954646,1.874761962,1.601474845,0.576923077,0.576923077,1.647871753,1.105747056,0.941147513,0.358415157,0.150144358,0.576923077,0.576923077,0.576923077,0,0,1,0,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.49279928,0.40824829,0.204124145,0.100592232,0.083333333,0.041666667,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,4.730710143,2.377156753,1.326132613,0.681795046,0.306186218,0.102062073,0,0,0.675815735,0.396192792,0.221022102,0.136359009,0.102062073,0.102062073,0,0,9.138737228,17.10050983,16.3254902,16.6,9.953251497,131.4503174,0.537572778,1.005912343,0.960322953,0.976470588,0.585485382,7.73237161,0.9595,26.924,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,1,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.54125,-0.122685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.186527778,0.5125,0,0,0,0,0,0,0,0,0,0,3.342175926,0,1.405925926,0,0,0,0,0,0,-0.122685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18958333,4.351666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.351666667,-0.122685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305625,0.5125,0,0,0,0,0,0,0,0,0,0,1.400787037,0,0.538194444,0,0,0,0,0,0,-0.122685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18958333,4.351666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18958333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,1.941388889,0,0.867731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18958333,4.351666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.16666667,2.738095238,0.627083333,10.18958333,0.305625,-0.122685185,2.138774907,1.789351852,3.189583333,8.0825,1.789351852,3.189583333,8.0825,3.16666,0.45238,0,0.04762,0.5549,0.91905,0.42174,0.5549,0.91905,0.13316,0,-0.13316,0,0.49223,0.22206,0,0.42105,0.1579,0,5.25,0.75,3.75,0.53571,1.5,0.21429,-2.25,-0.32143,0,0,4.36463,0.62352,7.07892,2.71429,0.38776,2.18293,0.31185,3.30805,1.12513,0.16073,0.10595,0.01514,0.10595,0.01514,0,6.02,2,2,2,2,0,0,0.8,1.332820405,2.133387491,3.292770194,3.292770194,3.292770194,2.811892213,22.65794688,36.26758735,55.9770933,55.9770933,55.9770933,47.80216761,0.326075235,0.521934406,0.805578013,0.805578013,0.805578013,0.687930954,2.754642437,1.95407535,0.794692647,0.794692647,0.794692647,1.275570629,0.326075235,0.521934406,0.805578013,0.805578013,0.805578013,0.687930954,12.49498498,22.57177998,23.74023489,23.74023489,23.74023489,17.96969911,25.89308809,15.56333914,15.1628235,15.1628235,15.1628235,12.27755562,7,4.166666667,3.84,7,3,4,1.79,0.8875,0.2,1.807204007,0.816496581,0,1,1.414213562,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,2.859,6,5,3,1,0,0,0,0,0,28,2.079441542,2.197224577,2.079441542,1.609437912,0.693147181,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,26.3,109.9803765,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,102.0680796,6.00400468,12.66537523,1.809339318,5.076588817,5.076588817,0,50,5,1.063,24,1.2270625,2.096259626,2.853249131,3.612576602,4.799419847,5.786660393,6.79785035,0,0,0,96.90864932,104.5870248,114.5393082,131.7877546,92.72222853,41.39149278,6.907051018,0,0,0,275.0821314,308.6864297,372.1303277,450.3823656,479.1000958,447.7156263,211.302643,0,0,0,9.573754286,16.33886681,21.85566246,28.71305549,37.57296348,40.15554848,45.67111286,0,0,0,1.899056374,2.286851619,2.817367903,3.389831799,3.988599663,4.714646748,3.022411991,0,0,0,180.4501068,340.5600083,472.6879946,601.8967643,824.5692734,968.2522681,1257.042526,0,0,0,3.969661458,6.76594279,8.362783605,12.70276647,13.55793081,8.988517631,6.79785035,0,0,0,0.445526719,0.560401066,0.697316459,0.880903907,1.00273779,1.03312958,0.696099876,0,0,0,326.760848,227.5769963,12.8178012,178.9349483,-124.6216562,-22.19128003,147.8258997,352.1986524,35.00908124,0.646160894,0.450027463,0.025346861,0.353839106,-0.246436014,-0.043882667,165.2415872,115.0847303,6.481908185,90.48665115,-63.02064766,-11.22203703,0.375005191,0.45795864,2.688896919,8.033959553,445.0706748,60.62512149,0.880115433,0.119884567,523.9030215,22.88892792,8.061520593,620.7733823,24.91532425,8.530563018,838.8366415,28.9626767,9.4310301,2.092657649,2.092657649,444.4380703,395.769232,62.06900144,1.122972769,7.160386988,6.376278381,3.695696228,4.193003682,7.360793762,0.755494228,2.802231592,3.344511073,4.495959393,7.720095904,4.819498495,1.527745649,1.895117521,5.890390554,0.084439668,2.223140682,2.928966825,4.632195514,0.369242764,0.28803231,3.60E-18,8.68E-57,4.04E-117,3.62E-199,6.27E-303,0,0,0,0,0,0,0,0,0,0,0,0.2516794,3.49551831,0.440218135,2.862557834,0.26086558,1.072166457,0.25823193,0.344628877,0.016068422,0.197145891,1.142344276,0.09781656,0.002600846,0.002028635,2.54E-20,6.12E-59,2.84E-119,2.55E-201,4.41E-305,0,0,0,0,0,0,0,0,0,0,0,0.765034346,3.214432911,0.890389092,2.934106142,0.82953394,0.950704617,0.470868451,1.017747726,0.026092451,0.405352141,1.477462998,0.507466843,0.027100943,0.021139942,2.64E-19,6.37E-58,2.96E-118,2.66E-200,4.60E-304,0,0,0,0,0,0,0,0,0,0,0,2.650193139,3.495079447,5.238171074,8.145868913,4.661226363,1.756249746,2.070413405,5.744446239,0.082499636,2.546734059,2.809130529,4.172091108,0.32898882,0.256631602,3.21E-18,7.74E-57,3.60E-117,3.23E-199,5.58E-303,0,0,0,0,0,0,0,0,0,0,0,1.119938123,3.107627496,1.026614949,3.092585564,1.264263655,0.889595597,0.579832293,1.525913009,0.034317671,0.477340762,1.716291151,0.941864208,0.058866282,0.045918779,5.74E-19,1.38E-57,6.44E-118,5.78E-200,9.99E-304,0,0,0,0,0,0,0,0,0,0,0,3.384123505,3.439964249,6.350884155,10.18028057,6.536153916,1.865011639,2.516925799,8.024098703,0.101997215,3.167773692,3.384543849,6.542984811,0.538505091,0.420068054,5.25E-18,1.27E-56,5.89E-117,5.28E-199,9.14E-303,0,0,0,0,0,0,0,0,0,0,0,1.722265092,3.516072304,5.371151014,8.650479433,3.478527255,2.437156351,1.816290495,4.120963265,0.068277516,2.04414701,2.541164344,1.824018304,0.122899882,0.095868742,1.20E-18,2.89E-57,1.34E-117,1.21E-199,2.09E-303,0,0,0,0,0,0,0,0,0,0,0,5.714902966,0.678641378,0.391062371,0.842333713,0.100026635,0.568513672,0.508019371,0.470570081,6.784606714,6.378644229,14.67993536,0.76350057,1.547103124,3.9590054,0.554106551,0.065612924,0.864652389,0.121017656,0.272805006,0.337400685,0.013246802,4.578724875,2.4898293,7.212489958,0.796978583,0.623452492,4.812873642,0.515413747,0.197078865,0.871050609,0.093281372,0.403156192,0.29146613,0.119512232,5.525366254,3.530714067,9.544958337,0.806575914,0.814134554,5.541241986,0.696274301,0.366961376,0.839012904,0.105424583,0.53449885,0.53515795,0.414355364,6.604477663,6.147151951,14.16744895,0.758519357,1.484012165,5.222030484,0.521372797,0.26668865,0.868876973,0.086749554,0.474620049,0.298332936,0.218847364,6.010091931,4.254325108,10.99051013,0.803315459,0.99180035,5.791790065,0.708188001,0.411818664,0.837957233,0.102460768,0.583928802,0.55370287,0.521848338,6.911796729,6.778488509,15.37943206,0.75693585,1.659480009,5.571196367,0.702124957,0.370853144,0.83850844,0.105675274,0.540437739,0.548387689,0.423190768,6.644174468,6.238156947,14.33298876,0.75776266,1.512016196 +UMLS0148,L,Methylbutanoate,CCCC(=O)OC,12180,"Co optima database valuese measured by NREL, source [9] from UML is unknown probably should use Sandia Sensitivity","Sandia, UML","[9], [11]",C5H10O2,UML,,2,0,-0.4787,0.22915369,28.2595,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1456.484335,1257.516426,941.19086,702.149539,307.657897,78.738912,9.144576,3346.887898,3979.09551,4762.761225,4548.278785,3714.265063,2647.928293,1675.784234,874.9221648,279.7536999,152.568096,145.6753,259.225708,284.313216,254.0432,203.05558,140.266468,83.016576,60.466176,23.35516286,28.53615172,36.78646875,36.33799295,29.80851667,21.85036128,14.2329069,9.348943289,4.001516144,3350.680532,2804.677982,5515.965281,6313.712957,5543.212399,4618.210326,3113.018667,2028.241198,1664.258868,90.77777778,55.5,94.66666667,96.08333333,94.41666667,70.5,50,18,9,69.4856748,68.35965826,42.83777456,33.09253753,28.52093515,26.00553848,17.09210539,6.561576,1.016064,167.3443949,209.4260795,140.0812125,119.691547,112.5534868,98.07141824,93.09912411,72.9101804,31.08374443,7.6284048,7.667121053,7.624285529,7.481926737,7.698278788,7.520577037,7.792581556,6.918048,6.718464,1.167758143,1.501902722,1.081954963,0.956262972,0.903288384,0.80927264,0.79071705,0.779078607,0.444612905,167.5340266,147.6146306,162.234273,166.150341,167.9761333,171.0448269,172.9454815,169.0200999,184.917652,4.538888889,2.921052632,2.784313725,2.528508772,2.861111111,2.611111111,2.777777778,1.5,1,0.268816445,-0.153994386,0.033723533,0.012855182,-0.033203037,0.035210379,-0.041159262,0.001119575,0.011039794,715.056216,-13.739645,-1.811537,15.127146,-265.926436,7.524355,-265.655591,-40.4064,207.36,931.2646053,-148.2416011,-122.4050951,-14.14884213,-215.6424858,19.16980356,-112.6110536,-135.6305065,263.877478,1.9334688,0.00145024,0.61979824,-0.22837152,-0.73811392,-0.27482048,-0.69360032,0.13789152,0.20903184,4.097118945,-1.072153629,-0.507085629,-0.369569819,-0.513715691,-0.093027659,0.323052972,-0.7061549,0.890094883,23.01673804,-6.548761719,-2.379522922,-2.664583803,-2.327152719,-0.957925282,2.907731573,-3.94163228,4.403478133,37.42222222,0.021111111,9.515555556,-2.624444444,-16.81333333,-2.02,-11.41333333,1.013333333,3.61,0.013440822,-0.008104968,9.92E-04,3.38E-04,-0.001006153,0.001304088,-0.002286626,9.33E-05,0.001226644,35.7528108,-0.723139211,-0.0532805,0.398082789,-8.058376848,0.278679815,-14.75864394,-3.3672,23.04,46.56323026,-7.80218953,-3.600149857,-0.372337951,-6.534620782,0.709992725,-6.256169643,-11.30254221,29.31971978,0.09667344,7.63E-05,0.01822936,-0.006009777,-0.022367088,-0.010178536,-0.038533351,0.01149096,0.02322576,0.204855947,-0.056429138,-0.014914283,-0.009725522,-0.015567142,-0.003445469,0.017947387,-0.058846242,0.098899431,1.150836902,-0.344671669,-0.069985968,-0.070120626,-0.070519779,-0.035478714,0.161540643,-0.328469357,0.489275348,1.871111111,0.001111111,0.279869281,-0.069064327,-0.509494949,-0.074814815,-0.634074074,0.084444444,0.401111111,-0.603011299,0.073795233,0.025169163,-0.074857967,0.097024429,-0.170125431,0.006941385,0.091262555,-0.02022608,-0.001490246,0.011134308,-0.225391421,0.007794627,-0.412796746,-0.094180008,0.644424857,-0.167561174,-0.077317442,-0.007996394,-0.140338648,0.015247927,-0.134358583,-0.242735355,0.629675382,7.90E-04,0.188566374,-0.062165749,-0.231367462,-0.105287826,-0.398592945,0.118863671,0.240249649,-0.275457653,-0.07280376,-0.047474929,-0.075990677,-0.016818984,0.087609794,-0.287256692,0.482775496,-0.299496539,-0.060813108,-0.060930116,-0.061276954,-0.030828621,0.140367973,-0.285417817,0.425147427,5.94E-04,0.149573844,-0.036910864,-0.272295401,-0.039984165,-0.338875693,0.045130641,0.214370546,1.585619858,0.990808619,0.982070968,1.154807917,0.950392762,1.283624986,0.141695555,0.032463407,1.04922138,0.985479586,0.923548675,1.231022269,0.934551671,1.442019494,0.804221444,0,1.505949528,1.108973627,0.963453038,1.036983297,0.832607538,0.921688511,1.148282892,0,0.713221749,0.778666028,0.946070606,1.463378121,1.155576195,1.879569967,0.058263676,0,1.749688453,1.136031594,1.002127101,0.963449418,0.827121207,0.662351159,1.16679926,0,1.787392882,1.130464694,1.012472645,0.959610384,0.838553501,0.626839151,1.128215268,0,0.558937055,0.532193133,1.003748515,1.79625081,1.091440684,1.826380641,0.126929929,0,34.47366876,17.48683438,27.8070297,34.84866876,4.356083595,17.48683448,0.5,0.195053505,0.024381688,-1.307585099,36.93847344,4.61730918,2.887402919,34.48338656,17.49095886,27.81216891,34.85728493,4.357160616,17.49095895,0.498531158,0.194811762,0.02435147,-1.308577207,36.97333131,4.621666413,2.888157502,43.27507067,21.23854086,32.78067123,42.67657895,5.334572369,21.23854086,-0.797988956,0.020387579,0.002548447,-3.114263564,35.33945622,4.417432027,2.852000064,34.49358618,17.49528789,27.81756372,34.86632838,4.358291048,17.49528799,0.4969896,0.19455804,0.024319755,-1.309619804,37.01009303,4.626261628,2.888952528,52.84789475,25.34165311,38.92953403,51.22445335,6.403056669,25.34165311,-2.164588529,0.221788591,0.027723574,-1.204824514,55.57043694,6.946304618,3.21412108,35.4943641,17.92031623,28.35085899,35.75406538,4.469258172,17.92031629,0.346268372,0.169691374,0.021211422,-1.419019153,41.81040823,5.226301028,2.986516247,35.97183543,18.19586867,30.15178041,36.41085494,4.551356868,18.19586873,1.173809524,0.310021599,0.0387527,-0.936890647,27.59601412,3.449501765,2.654137077,0,11.99635523,15.99825889,-0.349587576,0.261212252,3.957525958,6.780780077,7,19,18,18,6,1,1,0,0,1,15.992484,3.537876413,3.170020439,2.697857494,2.371136574,1.721015064,1.22439422,1.085602512,0.083923071,1.840994912,1.517651122,1.370326076,0.97285049,0.621196255,0.401210562,0.083923071,0.083923071,3.472008622,3.094283232,2.68820384,2.320433142,1.74003561,1.322024143,0.634216704,0.270913902,1.801064878,1.524568069,1.291016274,0.926552561,0.566176758,0.377659035,0.270913902,0.270913902,3.63523993,3.32508598,2.95607712,2.619366856,2.129097359,1.793102774,1.255949895,0.943918427,1.602170137,1.24096815,0.959741911,0.568071822,0.111633135,0.149582939,0.943918427,0.943918427,3.474404722,3.078865987,2.710719651,2.326903773,1.771622734,1.396594448,0.465144215,0.399277246,1.786188222,1.525061983,1.239522867,0.902288896,0.522919663,0.291408631,0.399277246,0.399277246,3.668547429,3.364014037,3.050453384,2.695529253,2.259283092,1.982580949,1.209058028,1.207644823,1.557193468,1.200200868,0.864546982,0.488416367,0.008083644,0.329804131,1.207644823,1.207644823,4.8581135,3.386334447,3.279458795,2.795506864,2.118509674,1.826946331,1.528150951,0.590163934,1.711429301,1.228488219,1.022565563,0.632269872,0.226329472,0.175602849,0.590163934,0.590163934,0,0,1,0,0,1,3,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.49279928,0.348461713,0.288675135,0.100592232,0.071129449,0.058925565,6.405777394,3.808060412,2.655648531,1.747400241,0.756710003,0.49279928,0.144337567,0,0.800722174,0.54400863,0.379378362,0.291233373,0.189177501,0.164266427,0.144337567,0,5.437816924,2.877156753,1.679686004,0.962125132,0.423176335,0.216506351,0.072168784,0,0.679727116,0.411022393,0.239955143,0.160354189,0.105794084,0.072168784,0.072168784,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.3496,31.541,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,63,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.76180556,-0.104768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.459027778,0.5125,0,0,0,0,0,0,0,0,0,0,3.459259259,0,2.55037037,0,0,0,0,0,0,-0.104768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.34847222,4.413333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.413333333,-0.104768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2725,0.5125,0,0,0,0,0,0,0,0,0,0,1.414675926,0,0.5625,0,0,0,0,0,0,-0.104768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.34847222,4.413333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.34847222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,2.044583333,0,1.050694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.34847222,4.413333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.66666667,2.583333333,0.592361111,10.34847222,0.2725,-0.104768519,2.73845088,1.771435185,3.348472222,8.612777778,1.771435185,3.348472222,8.612777778,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.36364,0.13636,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,5.60474,0.70059,8.4771,2.87236,0.35905,2.68293,0.33537,3.80805,1.12513,0.14064,0.10595,0.01324,0.10595,0.01324,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,2.070950594,3.346439345,3.546439345,3.546439345,3.33034294,25.90923688,41.41901189,66.92878689,70.92878689,70.92878689,66.6068588,0.299741647,0.479172848,0.774293156,0.820568799,0.820568799,0.770568799,3.026466251,2.2509775,0.97548875,0.77548875,0.77548875,0.991585155,0.299741647,0.479172848,0.774293156,0.820568799,0.820568799,0.770568799,12.01211119,21.71746765,24.10215464,24.30371965,24.30371965,21.71056279,29.38046565,17.93632218,16.22221018,15.69343894,15.69343894,14.39686051,8,5.142857143,5,8,3,5,1.9,1.0284,0.166666667,2.249576847,0.707106781,0,2.381101578,1.650963624,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,3.358,7,6,4,3,1,0,0,0,0,36,2.197224577,2.302585093,2.197224577,1.791759469,1.609437912,0.693147181,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.666666667,0.25,0.16,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.041666667,0.04,0.018518519,0,0,0,0,0,0.409708995,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,26.3,127.2763612,4,3.36729583,4.007333185,4.691347882,5.361292166,6.052089169,6.72982407,7.422373701,8.102586425,8.795582217,69.52972465,2.708050201,0,3.761200116,0,4.990432587,0,6.289715571,0,7.623153068,7.934871566,116.0837296,5.804186481,14.66013744,1.832517181,5.1060516,5.1060516,0,76,6,1.632,28,1.230631579,2.107673195,2.859055387,3.616071658,4.838164536,5.840062305,7.073539645,7.877375406,0,0,94.58963281,99.82155581,105.7335021,123.8528691,142.572044,112.1951945,48.97326296,8.003917565,0,0,279.0386343,316.0810647,368.754594,459.0242796,511.5456724,584.9137675,535.0392795,244.8583239,0,0,9.500427541,16.17938249,21.45586429,27.84860026,36.59642329,45.66402062,49.02721069,52.92386308,0,0,1.953218228,2.394720564,2.881442418,3.591752275,4.114840429,4.883662578,5.665225948,3.502382762,0,0,180.0610686,338.6270042,471.7892784,595.908366,820.8864407,1001.411937,1188.232392,1456.665764,0,0,3.698964912,6.17209819,7.325112696,10.233935,13.03662355,16.25982411,10.84109925,7.877375406,0,0,0.448387105,0.569263371,0.687828142,0.879873216,1.033050065,1.224112772,1.242746661,0.806643242,0,0,355.0165614,266.2241722,13.12167706,180.5634305,-135.4031193,-22.28271089,174.4531309,401.6272915,35.40438796,0.662863749,0.497076396,0.024499939,0.337136251,-0.252815866,-0.041604823,190.1397671,142.58434,7.027707696,96.70616062,-72.51920152,-11.93417412,0.348299358,0.425329574,2.234523202,7.619016224,478.3581724,57.22181944,0.893159154,0.106840846,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,955.6066687,30.91288839,9.849776829,2.417165256,2.417165256,692.5795107,640.051216,69.25769098,1.082068893,10.00003755,9.241590457,4.117114555,4.466158665,8.55760444,0.916099512,3.360032699,4.293028381,4.792292331,12.56268234,6.631361595,1.551831616,3.011158561,9.152542768,3.291608822,1.350421407,3.564836231,1.422437904,2.326983706,0.865084683,0.202466423,1.716146588,6.33E-09,5.38E-39,8.83E-91,2.79E-164,1.70E-259,0,0,0,0,0,0,0,0,0,0.298491782,4.443993512,0.46233507,3.875032781,0.273783997,1.072351495,0.407806532,0.443218613,2.141757678,0.082902404,2.033475618,0.049483718,0.174608832,0.006135767,0.016990752,0.012086961,4.46E-11,3.79E-41,6.22E-93,1.97E-166,1.20E-261,0,0,0,0,0,0,0,0,0,0.91615042,4.162911006,0.96359878,4.20574845,0.962918617,0.952486753,0.817731138,1.397788137,1.65374035,0.282612918,1.899994883,0.1993608,0.514037625,0.063543877,0.054848781,0.12595545,4.64E-10,3.95E-40,6.48E-92,2.05E-165,1.25E-260,0,0,0,0,0,0,0,0,0,3.176711882,4.44359216,5.515990118,12.56908593,6.275672087,1.777711597,3.127292194,8.808608591,3.8463379,1.263686588,3.969288836,1.30719882,2.15993589,0.770783663,0.191111201,1.529055713,5.64E-09,4.80E-39,7.87E-91,2.49E-164,1.52E-259,0,0,0,0,0,0,0,0,0,1.342655413,4.056109269,1.136347355,4.69732079,1.553605878,0.893448463,1.062123596,2.175748014,1.464978649,0.434254741,1.87245533,0.337170646,0.776695412,0.137966132,0.080837579,0.273592068,1.01E-09,8.58E-40,1.41E-91,4.45E-165,2.72E-260,0,0,0,0,0,0,0,0,0,4.057749124,4.38850086,6.717726121,16.78553502,9.178072843,1.900131662,3.852013332,12.65890384,4.225164046,1.741758296,4.34436557,1.960620932,2.985883235,1.261605186,0.244510305,2.502838512,9.23E-09,7.85E-39,1.29E-90,4.07E-164,2.49E-259,0,0,0,0,0,0,0,0,0,2.093644793,4.422614834,5.769106794,11.17229104,4.271280011,2.558679253,2.508138887,6.582336094,7.193357779,0.734274704,4.283001011,0.612245187,1.392942182,0.301372981,0.141031609,0.597722649,2.20E-09,1.87E-39,3.07E-91,9.73E-165,5.94E-260,0,0,0,0,0,0,0,0,0,7.289657472,0.742593322,0.414987615,0.862963387,0.087909597,0.544514367,0.510306568,0.499981437,8.447238409,8.746535559,19.44020607,0.794445081,1.554802371,5.686621568,0.529095171,0.072022644,0.904398421,0.084147122,0.331659653,0.261190461,0.015059888,6.287739383,3.456436366,9.960874889,0.856597631,0.607910001,6.398267095,0.543709836,0.210524282,0.8945496,0.076016742,0.419573336,0.274330077,0.128673169,7.152501212,4.940255457,12.8251287,0.841824399,0.822576582,7.162397608,0.750004846,0.391942828,0.862487934,0.090314747,0.525710905,0.52117991,0.445994038,8.304345282,8.473042312,18.88283898,0.793731901,1.492884853,6.746607283,0.572286878,0.281990891,0.887608119,0.075292137,0.466421831,0.30322226,0.230862698,7.600885052,5.924856303,14.61450672,0.831412178,1.000506789,7.379276047,0.773936064,0.437491478,0.858983897,0.090089951,0.557985208,0.554294348,0.555677491,8.590703589,9.278048678,20.36730454,0.788475845,1.667957046,7.178970891,0.757029895,0.395511045,0.86166485,0.090863448,0.528263702,0.532397609,0.454151592,8.331511831,8.573471548,19.05446551,0.792497275,1.514812904 +UMLS0149,L,"Pentanoic acid, methyl ester",CCCCC(=O)OC,12206,RON/MON from [11],"Sandia, UML",[11],C6H12O2,PubChem,,2.3,0,1.3195,1.74108025,28.913,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,913.087565,683.062635,464.209538,157.477824,18.289152,0,0,2914.106344,3494.423905,4149.471199,3813.952988,2898.117216,1749.84433,559.5073998,0,0,125.864664,123.114164,211.6517,218.7219,228.5426,166.033152,120.932352,0,0,22.06875486,27.30703172,35.0937937,34.19448944,28.05690832,18.69788658,8.003032287,0,0,2979.777961,2471.442353,4779.986516,4922.175239,5572.699569,4056.482397,3328.517736,0,0,33.02777778,39,54.16666667,56.66666667,48,36,18,0,0,48.76541633,50.97680359,30.43625217,22.03427855,14.0669557,6.561576,1.016064,0,0,161.8947969,205.5543474,138.3157066,123.0307416,87.82173382,72.9101804,31.08374443,0,0,6.992481333,7.242009647,7.055056667,7.055545161,6.925533333,6.918048,6.718464,0,0,1.226041937,1.606295984,1.169793123,1.103048046,0.850209343,0.779078607,0.444612905,0,0,165.54322,145.3789619,159.3328839,158.7798464,168.8696839,169.0200999,184.917652,0,0,1.834876543,2.294117647,1.805555556,1.827956989,1.454545455,1.5,1,0,0,0.034016318,6.04E-04,-0.006571439,-0.024765097,0.008528589,-0.006292357,0.011487932,0,0,484.264036,-53.80711511,1.53E-13,-269.0355756,-2.74E-13,-161.4213453,242.132018,0,0,900.5096538,-100.0566282,2.20E-13,-500.283141,-2.63E-13,-300.1698846,450.2548269,0,0,0.094864,-0.010540444,5.72E-16,-0.052702222,-5.63E-16,-0.031621333,0.047432,0,0,4.025697139,-0.447299682,1.33E-15,-2.236498411,-1.33E-15,-1.341899046,2.01284857,0,0,21.86765075,-2.429738973,2.58E-14,-12.14869486,-3.11E-14,-7.289216918,10.93382538,0,0,3.211419753,-1.053069273,1.112139918,-2.668124143,0.987397119,-1.467078189,1.483024691,0,0,0.001889795,3.55E-05,-2.19E-04,-7.99E-04,2.58E-04,-2.62E-04,6.38E-04,0,0,26.90355756,-3.165124418,5.09E-15,-8.678566953,-8.29E-15,-6.725889389,13.45177878,0,0,50.0283141,-5.885684011,7.34E-15,-16.13816584,-7.97E-15,-12.50707852,25.01415705,0,0,0.005270222,-6.20E-04,1.91E-17,-0.001700072,-1.71E-17,-0.001317556,0.002635111,0,0,0.223649841,-0.026311746,4.44E-17,-0.07214511,-4.04E-17,-0.05591246,0.111824921,0,0,1.214869486,-0.142925822,8.59E-16,-0.391893383,-9.42E-16,-0.303717372,0.607434743,0,0,0.178412209,-0.061945251,0.037071331,-0.086068521,0.029921125,-0.061128258,0.082390261,0,0,0.018807272,-0.115910946,-0.422730447,0.136756647,-0.138735405,0.337718277,0,0,-0.117647059,1.89E-16,-0.322580645,-3.08E-16,-0.25,0.5,0,0,-0.117647059,1.47E-16,-0.322580645,-1.59E-16,-0.25,0.5,0,0,-0.117647059,3.62E-15,-0.322580645,-3.24E-15,-0.25,0.5,0,0,-0.117647059,1.99E-16,-0.322580645,-1.81E-16,-0.25,0.5,0,0,-0.117647059,7.07E-16,-0.322580645,-7.75E-16,-0.25,0.5,0,0,-0.347202985,0.207784719,-0.482413852,0.167707833,-0.342623739,0.461797213,0,0,1.284960032,1.309181463,1.642448455,0.670434642,0.78176079,0.004318407,0,0,1.5,1.0625,1.370967742,0.837121212,1.0625,0,0,0,1.5,1.0625,1.370967742,0.837121212,1.0625,0,0,0,1.5,1.0625,1.370967742,0.837121212,1.0625,0,0,0,1.5,1.0625,1.370967742,0.837121212,1.0625,0,0,0,1.5,1.0625,1.370967742,0.837121212,1.0625,0,0,0,1.764536281,0.718068236,1.664925362,0.548075663,1.32340221,0,0,0,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,21.14453912,10.53245474,16.12985288,21.0914527,3.515242116,10.53251867,-0.07962963,0.159026208,0.026504368,-1.103211757,18.92599419,3.154332364,1.764321799,0,11.89,12.11007471,-0.17326705,0.049670123,5.214369888,7.378696616,5,17,16,16,4,1,1,0,0,1,13.118484,3.532959885,2.941834607,2.333552793,2.120755613,1.401922417,0.354682903,0.083923071,0.083923071,1.87177014,1.569635374,1.249629723,1.006050198,0.569007432,0.083923071,0.083923071,0.083923071,3.553546526,2.986235002,2.405454588,2.187757642,1.498877166,0.480315977,0.270913902,0.270913902,1.817909022,1.482975783,1.134540686,0.891919666,0.430272234,0.270913902,0.270913902,0.270913902,3.648008463,3.179027368,2.704236987,2.471606288,1.892477614,0.959218208,0.943918427,0.943918427,1.667637597,1.216833856,0.76031856,0.525715552,0.035522772,0.943918427,0.943918427,0.943918427,3.568923451,3.018851683,2.457539916,2.236638709,1.56863582,0.569019741,0.399277246,0.399277246,1.784308846,1.426769086,1.058262671,0.816632916,0.337249574,0.399277246,0.399277246,0.399277246,3.696339941,3.270769598,2.838982085,2.601986593,2.064456247,1.207644823,1.207644823,1.207644823,1.623463591,1.130673224,0.631337262,0.401629124,0.202022445,1.150770408,1.207644823,1.207644823,3.573162445,3.047259858,2.558732663,2.32544852,1.612346658,0.637303186,0.537313433,0.537313433,1.768167991,1.375024602,0.946792365,0.722269638,0.25543157,0.537313433,0.537313433,0.537313433,0,0,0,1,1,3,1,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.288675135,0,0,0,0.288675135,0.288675135,0,0.204124145,0.204124145,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.78445705,2.404030206,1.689722705,0.612372436,0.40824829,0,0,0,0.797409508,0.480806041,0.337944541,0.204124145,0.204124145,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,2,3,0,1,0,0,0,0,0,0,0,0,3,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.622685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.533680556,0.870833333,0,0.304166667,0,0,0,0,0,0,0,0,6.375,0,1.168981481,0,2.208333333,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.243402778,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.114583333,0,1.168981481,0,2.208333333,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.208333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.290277778,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.145833333,0,1.168981481,0,2.208333333,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.16666667,1.861111111,0.304166667,2.208333333,0.081597222,1.168981481,3.736358796,0.331018519,0.208333333,1.166666667,0.331018519,0.208333333,1.166666667,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.70728,0.78455,5.69868,0.9914,0.16523,2.17869,0.36312,2.77005,0.59135,0.09856,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.94471679,2.821888196,2.821888196,2.590225695,1.895238195,16.52932501,35.00490222,50.79398752,50.79398752,46.62406252,34.11428751,0.220218789,0.46636733,0.676723969,0.676723969,0.621168413,0.454501746,3.251629167,2.225208211,1.348036806,1.348036806,1.579699306,2.274686806,0.220218789,0.46636733,0.676723969,0.676723969,0.621168413,0.454501746,6.73287657,16.01742989,16.90146519,16.90146519,14.12151519,8.328139924,23.69925001,14.79422358,15.1849632,15.1849632,13.7949882,10.7833757,6,3.2,5.333333333,6,2,5,2.12,0.911,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,2.685,5,3,2,0,0,0,0,0,0,21,1.945910149,2.197224577,1.945910149,1.609437912,0,0,0,0,0,0,3.433987204,1.428571429,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,109.6959078,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,84.09390038,4.671883355,10.67917749,1.779862916,0,0,0,32,3,2.836,20,1.206259122,2.08509399,2.980430263,3.676034759,4.55708542,5.535966931,0,0,0,0,71.93041403,74.03953854,73.78448234,61.76493723,33.15683094,5.624896703,0,0,0,0,272.3425848,319.1515843,389.321486,354.4987615,356.809684,172.0785812,0,0,0,0,8.769144113,14.7823285,21.07770908,25.54214278,31.6432898,37.19319453,0,0,0,0,2.069946742,2.628457918,3.424091745,3.327629067,3.7466563,2.461362338,0,0,0,0,173.2850161,327.0233472,469.7295974,614.5807573,760.9073043,1023.698006,0,0,0,0,2.867216749,3.979578676,5.579999973,5.582260562,7.129123899,5.535966931,0,0,0,0,0.429393923,0.554228873,0.729332928,0.718373635,0.820558042,0.566883014,0,0,0,0,327.4948026,115.4274742,9.191838097,123.5617516,-43.5500679,-6.996456892,203.933051,158.9775421,16.18829499,0.726061509,0.25590466,0.02037846,0.273938491,-0.096551236,-0.015511263,147.7186772,52.06431875,4.146038818,55.7333379,-19.64354356,-3.155797737,0.16210967,0.242711593,3.435577639,2.824192347,451.0565542,0,1,0,333.0274214,18.24903892,6.93149102,453.2676906,21.29008432,7.681598215,495.6352458,22.26286697,7.913842344,1.637975212,1.586085,335.0315457,276.4250669,71.37282347,1.212015789,4.694105255,3.872973682,3.744872052,3.448729143,6.570043365,0.905062153,4.927880111,4.077851464,1.860615371,10.57002395,5.73974167,6.274260226,3.593310961,5.557626925,6.29210537,2.382208192,2.436480519,1.224656042,1.87E-08,5.52E-38,3.14E-89,3.44E-162,7.27E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,0.413567715,4.070861168,0.151725959,4.874466549,1.176375093,0.333551855,0.551364916,1.18246578,1.227212568,0.032861087,0.066750351,0.008625353,1.32E-10,3.89E-40,2.21E-91,2.42E-164,5.12E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,1.335035117,4.071328381,0.492704066,5.433174741,1.724594798,1.203547833,1.038509633,1.734775108,1.940066389,0.21616094,0.306230237,0.089882825,1.37E-09,4.05E-39,2.30E-90,2.52E-163,5.34E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,4.651517141,4.077084029,1.753223914,10.00771451,5.324790698,5.789363437,3.359757803,5.169235098,5.868477527,2.13357871,2.205005946,1.091146485,1.67E-08,4.92E-38,2.79E-89,3.06E-162,6.48E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,1.9675936,4.07193405,0.729103493,5.996013833,2.214728475,1.902506515,1.412641653,2.215095163,2.524729372,0.429953888,0.543143374,0.195237506,2.98E-09,8.80E-39,5.00E-90,5.48E-163,1.16E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,5.951127798,4.0810784,2.261387801,12.89456525,7.430064864,8.207240631,4.511789889,7.132539785,7.98954601,3.421768481,3.391628965,1.786045742,2.73E-08,8.05E-38,4.57E-89,5.02E-162,1.06E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,2.731595663,3.729655817,0.9357064,7.010334756,2.781479764,2.8960403,1.742452205,2.769810912,3.508149992,0.748153278,0.889650182,0.353565211,5.40E-09,1.59E-38,9.06E-90,9.93E-163,2.10E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,4.317176364,1.430333038,0.351867312,0.707806152,0.234504787,0.606749052,0.550670465,0.444440241,6.099376714,8.197360667,16.46951803,0.561709229,1.601859758,3.212618073,0.773684639,0.075857044,0.790864532,0.190461401,0.33581746,0.160883614,0.020656054,4.062159756,2.787942394,7.038648873,0.686296798,0.517357128,3.65127971,1.034517133,0.185479364,0.749553003,0.212370863,0.433877949,0.287850238,0.123494245,4.871276206,4.646430033,10.21831956,0.624329505,0.845222432,4.289827579,1.414079307,0.345034076,0.709186551,0.233773038,0.599078842,0.538212975,0.427345863,6.048940962,8.034198651,16.17617028,0.563779827,1.56463768,3.846824287,1.15076588,0.234342543,0.735258747,0.219950436,0.481639342,0.356267323,0.197132307,5.231932711,5.597942127,11.86726104,0.60288812,1.035038972,4.40279894,1.481218296,0.373260352,0.703628516,0.236719288,0.631078589,0.590592916,0.500125788,6.257277587,8.717776684,17.40927402,0.555442773,1.721797294,4.293077157,1.415115509,0.344811758,0.709247319,0.233787291,0.600006755,0.539038745,0.426795332,6.053004425,8.043452017,16.19125686,0.563870978,1.565840833 +UMLS0150,L,2-Methyl-2-Pentene,CCC=C(C)C,12243,,"Sandia, UML",[1],C6H12,PubChem,,14.8,0,2.1291,4.53306681,34.3705,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1227.862111,935.274484,777.037636,296.666496,36.578304,0,0,3399.790734,4147.41404,5288.145724,5239.015693,4232.892569,2940.181259,1119.0148,0,0,146.842108,144.889944,254.404924,283.60264,331.362832,211.133952,241.864704,0,0,25.74688067,32.32302034,43.78790813,46.56067532,40.08360749,29.39274087,16.00606457,0,0,3476.407621,2904.481805,5709.655628,6242.154872,8198.422653,4784.447057,6657.035473,0,0,38.55555556,45.33333333,65.22222222,76.66666667,68,54,36,0,0,48.76541633,51.7541979,34.10728086,23.3818621,16.18828408,9.8888832,1.016064,0,0,161.8947969,207.370702,146.8929368,130.9753923,88.18526186,98.00604198,31.08374443,0,0,6.992481333,7.2444972,7.066803444,7.090066,6.903392333,7.0377984,6.718464,0,0,1.226041937,1.616151017,1.216330781,1.164016883,0.835075156,0.979758029,0.444612905,0,0,165.54322,145.2240902,158.6015452,156.0538718,170.8004719,159.4815686,184.917652,0,0,1.835978836,2.266666667,1.811728395,1.916666667,1.416666667,1.8,1,0,0,0.037102359,-0.00205444,0.002570799,-0.036826177,0.020889496,-0.026361094,0.023230237,0,0,564.9747087,-53.80711511,80.71067267,-470.8122572,242.132018,-564.9747087,484.264036,0,0,1050.594596,-100.0566282,150.0849423,-875.4954967,450.2548269,-1050.594596,900.5096538,0,0,0.110674667,-0.010540444,0.015810667,-0.092228889,0.047432,-0.110674667,0.094864,0,0,4.696646663,-0.447299682,0.670949523,-3.913872219,2.01284857,-4.696646663,4.025697139,0,0,25.51225921,-2.429738973,3.644608459,-21.26021601,10.93382538,-25.51225921,21.86765075,0,0,3.841269841,-1.74829932,2.589569161,-4.639455782,3.346938776,-4.408163265,2.93877551,0,0,0.001766779,-1.03E-04,7.14E-05,-9.21E-04,4.35E-04,-8.79E-04,6.45E-04,0,0,26.90355756,-2.690355756,2.24196313,-11.77030643,5.044417042,-18.83249029,13.45177878,0,0,50.0283141,-5.00283141,4.169026175,-21.88738742,9.380308893,-35.01981987,25.01415705,0,0,0.005270222,-5.27E-04,4.39E-04,-0.002305722,9.88E-04,-0.003689156,0.002635111,0,0,0.223649841,-0.022364984,0.018637487,-0.097846805,0.041934345,-0.156554889,0.111824921,0,0,1.214869486,-0.121486949,0.101239124,-0.5315054,0.227788029,-0.85040864,0.607434743,0,0,0.182917611,-0.087414966,0.071932477,-0.115986395,0.069727891,-0.146938776,0.081632653,0,0,-0.058140822,0.0404188,-0.52109202,0.246322736,-0.497347514,0.365232071,0,0,-0.1,0.083333333,-0.4375,0.1875,-0.7,0.5,0,0,-0.1,0.083333333,-0.4375,0.1875,-0.7,0.5,0,0,-0.1,0.083333333,-0.4375,0.1875,-0.7,0.5,0,0,-0.1,0.083333333,-0.4375,0.1875,-0.7,0.5,0,0,-0.1,0.083333333,-0.4375,0.1875,-0.7,0.5,0,0,-0.477892562,0.393250689,-0.634090909,0.381198347,-0.803305785,0.446280992,0,0,1.382211563,1.109446376,1.854879538,0.603575371,1.303377982,0.004098899,0,0,1.5,1.011904762,1.553571429,0.625,1.714285714,0,0,0,1.5,1.011904762,1.553571429,0.625,1.714285714,0,0,0,1.5,1.011904762,1.553571429,0.625,1.714285714,0,0,0,1.5,1.011904762,1.553571429,0.625,1.714285714,0,0,0,1.5,1.011904762,1.553571429,0.625,1.714285714,0,0,0,1.923553719,0.506198347,1.923553719,0.289256198,2.082644628,0,0,0,25.00797929,12.50398965,18.57321498,25.00797929,3.57256847,12.50399995,-1.78E-15,0.062340101,0.008905729,-1.94260527,21.69060259,3.098657513,2.153815375,25.00797929,12.50398965,18.57321498,25.00797929,3.57256847,12.50399995,-1.78E-15,0.062340101,0.008905729,-1.94260527,21.69060259,3.098657513,2.153815375,25.00797929,12.50398965,18.57321498,25.00797929,3.57256847,12.50399995,-1.78E-15,0.062340101,0.008905729,-1.94260527,21.69060259,3.098657513,2.153815375,25.00797929,12.50398965,18.57321498,25.00797929,3.57256847,12.50399995,-1.78E-15,0.062340101,0.008905729,-1.94260527,21.69060259,3.098657513,2.153815375,25.00797929,12.50398965,18.57321498,25.00797929,3.57256847,12.50399995,-1.78E-15,0.062340101,0.008905729,-1.94260527,21.69060259,3.098657513,2.153815375,25.00797929,12.50398965,18.57321498,25.00797929,3.57256847,12.50399995,-1.78E-15,0.062340101,0.008905729,-1.94260527,21.69060259,3.098657513,2.153815375,29.76199819,14.8059991,22.17121136,29.65485534,4.236407905,14.80600001,-0.15,0.138652044,0.019807435,-1.383051437,19.50061884,2.785802692,2.07931234,0,11.89,12.11009426,-0.173116455,0.049805065,5.842125,7.816768872,6,20,19,19,5,1,1,0,0,1,15.304898,3.579778624,3.074489284,2.333552793,2.333552793,2.065590871,1.06896974,0.350856723,0.083923071,1.903071126,1.626247604,1.249629723,1.249629723,0.910880901,0.363793327,0.083923071,0.083923071,3.599360882,3.111806178,2.405454588,2.405454588,2.129796731,1.175096351,0.478309428,0.270913902,1.851416542,1.547140114,1.134540686,1.134540686,0.802354298,0.209803007,0.270913902,0.270913902,3.689230958,3.276888563,2.704236987,2.704236987,2.40155522,1.61064625,0.959217233,0.943918427,1.707922328,1.309850369,0.76031856,0.76031856,0.453274097,0.309182278,0.943918427,0.943918427,3.613986398,3.139383741,2.457539916,2.457539916,2.176632589,1.251806798,0.567872909,0.399277246,1.819257684,1.496292149,1.058262671,1.058262671,0.73071287,0.106310751,0.399277246,0.399277246,3.735270844,3.357205523,2.838982085,2.838982085,2.526114418,1.802250745,1.207644823,1.207644823,1.665869633,1.235012209,0.631337262,0.631337262,0.334620448,0.494420374,1.150819677,1.207644823,3.604240426,3.159388122,2.560542902,2.560542902,2.267394784,1.27275566,0.638410453,0.538461538,1.820783157,1.448693487,0.945158287,0.945158287,0.635374035,0.037338765,0.538461538,0.538461538,0,0,0,1,1,4,0,1,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.622008468,0,0,0,0.471404521,0.942809042,0.23570226,0.333333333,0.666666667,0.166666667,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,5.654700538,2.776709006,2.488033872,0.666666667,0.666666667,0,0,0,0.807814363,0.462784834,0.35543341,0.166666667,0.166666667,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,3,0,1,0,0,0,0,0,0,0,0,4,0,0,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.662037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.276388889,0,0,0.777083333,0.870833333,0,0.276388889,0,0,0,0,0,0,0,0,8.625,0,0,0,2.25,0,0.712962963,0,0,1.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.276388889,0,0,0.243402778,0.290277778,0,0.276388889,0,0,0,0,0,0,0,0,2.125,0,0,0,2.25,0,0.712962963,0,0,1.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.276388889,0,0,0.290277778,0.290277778,0,0.276388889,0,0,0,0,0,0,0,0,2.1875,0,0,0,2.25,0,0.712962963,0,0,1.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13,1.857142857,0.290277778,2.25,0.065972222,0.712962963,4.459912037,0.62037037,0.25,1.75,0.62037037,0.25,1.75,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0.28571,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.37354,0.91051,7.47656,1.10302,0.15757,2.5614,0.36591,3.12588,0.56448,0.08064,0.28812,0.04116,0.28812,0.04116,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.911092835,2.724719803,2.724719803,2.515561831,1.697611723,19.28421252,40.13294954,57.21911587,57.21911587,52.82679845,35.64984618,0.209068641,0.435098981,0.620337635,0.620337635,0.572718588,0.386495683,3.474021589,2.481224587,1.667597619,1.667597619,1.876755592,2.6947057,0.209068641,0.435098981,0.620337635,0.620337635,0.572718588,0.386495683,6.73287657,15.92600679,16.74600042,16.74600042,14.23610475,6.719804482,27.64912502,17.29583807,18.13367329,18.13367329,16.87872546,17.34211164,7,3.06122449,6,7,2,5,2.23,1.0519,1.889881575,2,4.618802154,0,0,2,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.096,0.164,0.169,2.956,7,4,4,0,0,0,0,0,0,28,2.079441542,2.397895273,2.197224577,2.197224577,0,0,0,0,0,0,3.713572067,1.428571429,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,5,0.833333333,0,2,4,1,2.5,0.444444444,0.5,0,0,0,0,0,0,0,0.416666667,0.063492063,0.125,0,0,0,0,0,0,0,0.60515873,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,0,126.9918924,3.807354922,3.295836866,3.891820298,4.65396035,5.262690189,6.033086222,6.64509097,7.417580402,8.030409562,8.803424212,67.03389907,2.564949357,0,3.713572067,0,4.976733742,0,6.300785795,0,7.655864018,7.958576904,98.10955045,4.671883355,12.50916243,1.787023205,0,0,0,48,4,3.34,26,1.212705426,2.099518655,3.005102879,3.633101192,4.545369866,5.025871555,0,0,0,0,73.71753674,83.49696018,77.0783794,67.75413086,46.18782195,5.106607155,0,0,0,0,277.07541,342.5821825,412.3329805,348.4075724,454.8201708,156.222907,0,0,0,0,8.82049534,14.91524745,21.34593581,25.15425642,32.03399546,33.76613711,0,0,0,0,2.098790965,2.762991342,3.610159705,3.212515612,4.528101731,2.234567351,0,0,0,0,173.9316101,327.3383736,466.1561078,615.0995751,721.3502773,929.3723673,0,0,0,0,2.831902716,4.039646049,5.857542304,5.35151358,8.293394869,5.025871555,0,0,0,0,0.43511166,0.580509282,0.767799815,0.692608787,0.981174115,0.514649247,0,0,0,0,299.3113131,118.796013,8.171121803,54.56341028,-21.65609956,-2.976775636,244.7479028,140.4521126,11.14789744,0.845811507,0.335700758,0.023090436,0.154188493,-0.061197079,-0.008411948,105.9187081,42.03890623,2.891553467,19.30861172,-7.663546242,-1.053405655,0.144635312,0.208394571,1.986969828,1.874366276,353.8747234,0,1,0,391.9611932,19.79800983,7.318369905,532.2592482,23.07074442,8.104155,634.3864898,25.18703019,8.592469024,1.538709241,1.314121321,399.0277719,330.2183995,115.1501163,1.208375344,3.465283273,2.867720937,3.982071475,3.467780355,6.596515209,0.902229822,5.756743436,4.912784115,2.41783354,15.07149376,6.070027243,11.61420366,4.087838121,5.44487286,8.431364978,3.6670073,4.211404815,0.960387788,1.01E-07,3.63E-36,2.85E-86,4.41E-158,1.32E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0.483127429,4.90030964,0.141358586,6.777773285,1.11227313,0.726830797,0.739720216,1.91642047,1.269937174,0.091239335,0.08793122,0.00676409,7.12E-10,2.56E-38,2.01E-88,3.10E-160,9.27E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559584886,4.901143334,0.496882055,7.509205194,1.697130022,2.508201868,1.28419918,2.374974572,2.179441331,0.437194446,0.458800061,0.07048703,7.42E-09,2.66E-37,2.09E-87,3.24E-159,9.66E-253,0,0,0,0,0,0,0,0,0,0,0,0,0,5.433896443,4.911414572,2.239854445,14.22361367,5.615413911,10.79168455,3.833715212,5.136290435,7.797563494,3.312277734,3.792408186,0.855688229,9.01E-08,3.23E-36,2.54E-86,3.93E-158,1.17E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,2.298539183,4.90222415,0.773347734,8.29679752,2.225438618,3.861991524,1.699222055,2.767455278,2.967775517,0.78868014,0.853186106,0.153107248,1.61E-08,5.79E-37,4.55E-87,7.03E-159,2.10E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,6.952100537,4.918542834,3.120654367,18.59702058,7.924822099,14.83675015,5.084551013,6.692524487,10.99989047,5.134628731,5.951877711,1.400635331,1.47E-07,5.30E-36,4.16E-86,6.43E-158,1.92E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,3.264583756,4.199996135,1.032450838,10.04204572,2.733202105,5.696196027,2.005157056,3.298619714,4.267733777,1.309907383,1.44081419,0.278455631,2.93E-08,1.05E-36,8.27E-87,1.28E-158,3.82E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,4.140400624,1.621573121,0.601524893,0.650648466,0.254824148,0.614689713,0.608245555,0.408198114,6.363498638,10.179933,20.58204713,0.475972698,1.631133382,3.131708832,0.941202818,0.236800363,0.726663133,0.218391116,0.351325383,0.204699724,0.063126329,4.309712014,3.912040136,8.919738548,0.589994699,0.619151436,3.532241142,1.211230381,0.381937874,0.689162732,0.236318758,0.447112149,0.339118581,0.164594652,5.125409397,6.090069213,12.84954549,0.533744098,0.950825382,4.115420117,1.604714005,0.592518546,0.651931974,0.254205972,0.607280317,0.59564804,0.396084962,6.312652668,9.993357849,20.21904583,0.477897962,1.599013318,3.710814136,1.331690823,0.446494336,0.676045657,0.242610857,0.493548334,0.410012778,0.224991596,5.488999295,7.193107034,14.88852825,0.514068486,1.128552708,4.218610223,1.674357342,0.62971623,0.646759885,0.25669761,0.638178779,0.648540053,0.447283582,6.522683795,10.77435832,21.74501815,0.470139828,1.734002414,4.119036708,1.606677404,0.592460778,0.651934582,0.254294544,0.608371791,0.597105977,0.396088184,6.31817489,10.01022424,20.24928277,0.477901873,1.601565951 +UMLS0151,L,"2,4-dimethyl-2-pentene",CC(C)C=C(C)C,12260,"Sandia values averaged from co-optima database values sourced from their api report and our independent api report, since UML values are from concrete source would go with those ","Sandia, UML",[1],C7H14,PubChem,,15.4,0,0.7669,0.58813561,32.3767,16.696344,5,5,15,7,8,0,6,0,1,0,0,0,0,0,0,0,1129.681239,1202.505287,1617.143825,828.159364,319.859737,78.738912,9.144576,0,0,3006.162143,3640.936444,4662.371147,3528.62656,2216.331998,874.9221648,279.7536999,0,0,112.342524,114.711404,189.32522,183.826192,147.498148,83.016576,60.466176,0,0,20.93350724,25.53153448,33.10498053,27.01379989,21.04619777,9.348943289,4.001516144,0,0,2425.558639,2165.638819,3888.076483,3704.794767,3380.015936,2028.241198,1664.258868,0,0,41.80555556,45,68.77777778,63,36,18,9,0,0,75.3120826,80.16701913,64.685753,36.00692887,15.23141605,6.561576,1.016064,0,0,200.4108095,242.7290963,186.4948459,153.4185461,105.5396189,72.9101804,31.08374443,0,0,7.4895016,7.647426933,7.5730088,7.99244313,7.023721333,6.918048,6.718464,0,0,1.395567149,1.702102299,1.324199221,1.174513039,1.002199894,0.779078607,0.444612905,0,0,161.7039092,144.3759213,155.5230593,161.0780334,160.9531398,169.0200999,184.917652,0,0,2.787037037,3,2.751111111,2.739130435,1.714285714,1.5,1,0,0,0.124695282,-0.048055391,0.051511859,-0.095990295,0.013716601,0.008426605,0.008042979,0,0,513.6289296,22.3423712,244.2871244,-562.2005049,-217.2027322,-6.53904648,262.4983232,0,0,778.6923982,-49.26426573,144.3439326,-362.8604677,-444.1614858,-70.71551803,393.3116055,0,0,1.0071936,0.0196128,0.1592304,-0.99383472,0.06560736,0.08801952,0.15776784,0,0,3.531677142,-0.514646227,-0.317331639,0.044769678,-2.044165155,-0.449554928,1.5150897,0,0,19.71791966,-3.310735889,-3.378007883,2.769430554,-11.15491102,-2.63510014,7.850364543,0,0,7.048148148,-0.92037037,4.929012346,-9.542345679,-0.584074074,0.139259259,2.454444444,0,0,0.008313019,-0.003203693,0.002060474,-0.004173491,6.53E-04,7.02E-04,8.94E-04,0,0,34.24192864,1.489491413,9.771484976,-24.44350021,-10.34298725,-0.54492054,29.16648036,0,0,51.91282655,-3.284284382,5.773757306,-15.77654207,-21.15054694,-5.892959836,43.7012895,0,0,0.06714624,0.00130752,0.006369216,-0.043210205,0.00312416,0.00733496,0.01752976,0,0,0.235445143,-0.034309748,-0.012693266,0.001946508,-0.097341198,-0.037462911,0.1683433,0,0,1.314527977,-0.220715726,-0.135120315,0.120410024,-0.531186239,-0.219591678,0.872262727,0,0,0.469876543,-0.061358025,0.197160494,-0.414884595,-0.027813051,0.011604938,0.272716049,0,0,-0.385382595,0.247861146,-0.50204278,0.078572116,0.084471976,0.107501785,0,0,0.043499051,0.285366081,-0.713847064,-0.302056212,-0.015913839,0.851776799,0,0,-0.063265374,0.111220245,-0.303904509,-0.407424299,-0.113516451,0.841820652,0,0,0.019472721,0.094855885,-0.643523825,0.046527698,0.109238581,0.261068379,0,0,-0.145722898,-0.053911775,0.008267351,-0.413434725,-0.159115241,0.715000097,0,0,-0.167904928,-0.102789988,0.091599438,-0.404088957,-0.167049832,0.663555848,0,0,-0.13058329,0.419600631,-0.882965112,-0.059192253,0.024697846,0.580399369,0,0,1.278644194,0.865161225,2.621307562,0.130695021,0.096386424,0,0,0,0.908873328,0.694659989,1.782669563,1.09996668,0.82497501,0,0,0,1.120632197,0.859054583,1.140818028,1.349177928,1.011883446,0,0,0,0.851911159,0.982735077,2.798105634,0.109884204,0.082413153,0,0,0,1.263001368,1.036850972,0.879905043,1.329862973,0.997397229,0,0,0,1.298219785,1.092073564,0.843870257,1.293861607,0.970396205,0,0,0,1.004203889,0.587073043,2.552491489,0.504466632,0.496584341,0,0,0,17.2512011,8.75060055,12.42100359,17.42977253,2.489967504,8.751162606,0.25,4.44E-16,6.34E-17,-24.74535435,2000018.265,285716.895,10.15606681,17.25557748,8.752421529,12.42440573,17.43362432,2.49051776,8.752982423,0.249265579,7.77E-16,1.11E-16,-24.35362329,2000018.266,285716.8951,10.15606681,21.23794274,10.41947413,15.58751727,20.95294668,2.993278097,10.41956915,-0.398994478,3.33E-16,4.76E-17,-24.9467318,2000020.258,285717.1797,10.15606751,17.26017089,8.754332844,12.42797686,17.43766717,2.491095311,8.754892521,0.2484948,7.77E-16,1.11E-16,-24.35362329,2000018.267,285716.8952,10.15606681,25.76738659,12.27627688,19.14288819,25.30354619,3.614792312,12.27629223,-1.082294264,0,0,0,2000023.418,285717.6311,10.15606861,17.71110313,8.942118658,12.77980941,17.83477041,2.547824344,8.942571639,0.173134186,0,0,0,2000018.385,285716.9122,10.15606685,17.08405805,8.749965531,12.15254904,17.3811102,2.483015743,8.750545125,0.415873016,1.11E-16,1.59E-17,-25.7157604,2000019.616,285717.088,10.15606728,0,11.89,15.99491614,-0.319106959,0.135565102,5.358571458,6.709038668,7,15,13,10,2,2,0,0,0,5,10.661656,3.82425426,2.852587597,2.440965921,1.982838307,1.590045842,0.376234974,0.083923071,0.083923071,1.685394744,1.624782664,1.190372398,0.748730831,0.149925007,0.083923071,0.083923071,0.083923071,3.742696978,2.890505745,2.485428603,1.759011632,1.649787844,0.504005159,0.270913902,0.270913902,1.645302925,1.635270651,1.091945166,0.784306587,0.076155921,0.270913902,0.270913902,0.270913902,3.871489847,3.065817247,2.725312629,2.16011785,1.909679564,0.963466379,0.943918427,0.943918427,1.504200862,1.421874763,0.771670347,0.388994279,0.497193224,0.943918427,0.943918427,0.943918427,3.724494194,2.918990139,2.524595886,1.695899316,1.693578172,0.592657952,0.399277246,0.399277246,1.664736074,1.604865898,1.026550746,0.778523624,0.001809185,0.399277246,0.399277246,0.399277246,3.874293694,3.15430001,2.838709877,2.178533571,2.036200717,1.207644823,1.207644823,1.207644823,1.467905353,1.405069119,0.662508967,0.305553504,0.668506073,1.130458367,1.207644823,1.207644823,3.932979111,2.954522796,2.617701775,2.310837251,1.733918218,0.647550996,0.529411765,0.529411765,1.569510176,1.464847133,0.932403176,0.496146332,0.235984905,0.529411765,0.529411765,0.529411765,0,0,0,4,0,2,0,0,0,0,0,0.11785113,0.23570226,0.11785113,0,0,0.034020691,0.068041382,0.034020691,0.577350269,0,0,0,0.23570226,0,0,0,0.741581624,1.040440115,0.589255651,0.253933894,0.321975275,0.170103454,5.276020882,3.2876937,3.023395961,1.95700308,1.491624578,0.638071187,0,0,0.753717269,0.469670529,0.335932885,0.217444787,0.149162458,0.127614237,0,0,4.562948829,2.318931893,1.656696226,0.874724706,0.556683324,0.219416097,0,0,0.651849833,0.331275985,0.184077358,0.097191634,0.055668332,0.043883219,0,0,8.88211032,14.8820102,14.25098039,14.44,9.674457485,113.7529305,0.592140688,0.992134013,0.950065359,0.962666667,0.644963832,7.583528703,1.31644,28.417,22.47266809,30.16393587,44.94533619,6.420762312,22.47266809,3.33E-16,4.76E-17,-24.9467318,2000014.736,285716.3909,10.15606557,42,0,0,1,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,2,0,0,0,0,0,0,0,0,2,0,0,0,0,2,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.083333333,5.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.979861111,0,0,0,0,0.979861111,0,0,0,0,0,0,0,0,3.875,0,0,0,0,3.907407407,0,0,0,0,1.967592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.083333333,0.983796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.489930556,0,0,0,0,0.489930556,0,0,0,0,0,0,0,0,1.9375,0,0,0,0,1.953703704,0,0,0,0,0.983796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.083333333,1.953703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.489930556,0,0,0,0,0.489930556,0,0,0,0,0,0,0,0,1.9375,0,0,0,0,1.953703704,0,0,0,0,0.983796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.83333333,2.119047619,0.489930556,5.083333333,0.236111111,0.983796296,3.235833333,0.68287037,1.583333333,3.166666667,0.68287037,1.583333333,3.166666667,3.33333,0.47619,0,0.02381,0.53778,0.80952,0.43333,0.48772,0.80952,0.10444,0.05006,-0.05439,0,0.58823,0.12606,0,0.3,0.3,0,9,1.28571,4,0.57143,5,0.71429,1,0.14286,0,0,3.24466,0.46352,6.88311,3.63845,0.51978,1.42047,0.20292,3.28768,1.86721,0.26674,0.12632,0.01805,0.21232,0.03033,0.333333333,7.01,0,1,1,1,0,0,0.333333333,1.272905595,2.339572262,2.339572262,2.339572262,2.339572262,2.339572262,19.09358393,35.09358393,35.09358393,35.09358393,35.09358393,35.09358393,0.325810402,0.598832295,0.598832295,0.598832295,0.598832295,0.598832295,2.633985,1.567318334,1.567318334,1.567318334,1.567318334,1.567318334,0.308263103,0.566580748,0.566580748,0.566580748,0.566580748,0.566580748,10.99874005,19.04262746,19.04262746,19.04262746,19.04262746,19.04262746,24.98883943,19.9845481,19.9845481,19.9845481,19.9845481,19.9845481,5.142857143,1.851851852,1.185185185,0,5,0,2.01,0.8181,0.25,1.632993162,2.309401077,0,1,2.828427125,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.148,0.429,0.411,3.015,9,9,10,5,0,0,0,0,0,47,2.351375257,2.90416508,3.291196486,3.739156607,3.203762187,0,0,0,0,0,4.830810618,2.644946809,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,2,0.285714286,0,2,4,1,2,0.666666667,0.569444444,0,0,0,0,0,0,0,0.285714286,0.074074074,0.142361111,0,0,0,0,0,0,0,0.502149471,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,13.14,92.59321705,3.807354922,3.496507561,4.234106505,5.043425117,5.802118375,6.610696045,7.378383713,8.182838711,8.955835144,9.75643661,73.46034778,2.708050201,0,3.931825633,2.397895273,5.303304908,4.59511985,6.736966958,6.502790046,8.206583614,8.621913502,96.05751488,6.403834325,13.45353991,1.921934272,2.895226194,2.895226194,0,41,4,1.181,32,1.345305484,2.305450102,3.452381606,4.272473722,5.533025255,6.288407111,0,0,0,0,127.2057797,174.7831279,136.7251856,74.63157529,38.2208363,6.389424083,0,0,0,0,358.3069224,476.4834387,560.4268986,484.3018823,417.8611031,195.4672395,0,0,0,0,10.48545941,17.78414114,27.71193351,30.10890469,38.34667244,42.24843679,0,0,0,0,2.416228405,3.261621367,4.221963345,4.504213048,4.426189124,2.795906952,0,0,0,0,192.4617248,353.1599369,553.0231848,680.0972407,929.7013212,1162.837478,0,0,0,0,4.349376817,7.002339625,9.685675569,7.603491684,8.472242457,6.288407111,0,0,0,0,0.546242611,0.772499992,0.99387824,0.967529136,0.971018073,0.643932888,0,0,0,0,267.5060254,112.6189988,10.51163985,110.0028995,-46.31079389,-12.12033717,157.5031259,158.9297927,22.63197702,0.70860848,0.298321421,0.027844745,0.29139152,-0.122674699,-0.032106094,100.9859121,42.51467717,3.968237859,41.52707632,-17.48273801,-4.575535453,0.153038853,0.757939762,3.541267415,24.26183662,345.498681,32.01024387,0.915206657,0.084793343,458.1364071,21.40412126,7.709003956,536.0573203,23.1529117,8.123385754,706.7320518,26.58443251,8.907413139,2.47410681,2.47410681,383.9712677,305.6160244,102.6950071,1.256384604,3.738947769,2.975957965,3.872798679,4.264305803,6.726399482,0.577372682,2.394553898,2.810475747,3.711715652,4.656174413,3.472449837,3.18988394,3.096018681,7.021744133,1.897575833,3.892920083,3.59531017,1.330572083,6.23E-04,1.02E-26,3.59E-71,2.43E-137,3.18E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,0.20098838,2.98997887,1.214669249,4.217481926,1.862478511,1.433798188,2.211672169,0.378962639,0.080709285,0.91734481,0.267281904,0.00937133,4.39E-06,7.21E-29,2.53E-73,1.71E-139,2.24E-227,0,0,0,0,0,0,0,0,0,0,0,0,0,0.648741857,2.656071039,1.596265216,3.54903144,1.641460859,1.042342893,2.334929114,1.361349924,0.312292382,1.265755134,0.88551705,0.097656468,4.58E-05,7.52E-28,2.63E-72,1.78E-138,2.33E-226,0,0,0,0,0,0,0,0,0,0,0,0,0,2.260265394,2.989348291,3.591046096,5.048663404,3.684975422,3.522288612,3.220610178,6.484266143,1.737076587,3.619143187,3.369960329,1.185515773,5.55E-04,9.13E-27,3.20E-71,2.17E-137,2.83E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,0.956110586,2.529186908,1.900249673,3.350035417,1.678720897,0.969466562,2.386090805,2.14630268,0.512621469,1.581820867,1.328053905,0.212122893,9.94E-05,1.63E-27,5.72E-72,3.88E-138,5.06E-226,0,0,0,0,0,0,0,0,0,0,0,0,0,2.891763809,2.923807646,4.396252991,5.16282367,4.122649265,4.277439198,3.445702838,9.167120349,2.547776932,5.010613864,4.454216115,1.940514328,9.09E-04,1.49E-26,5.23E-71,3.55E-137,4.63E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,1.342288273,3.047606263,2.316762126,5.493363705,3.454180536,3.071215046,2.926154581,3.015552411,0.777358356,2.100571692,1.889780733,0.372928515,1.75E-04,2.87E-27,1.01E-71,6.81E-138,8.90E-226,0,0,0,0,0,0,0,0,0,0,0,0,0,5.24945724,1.427021782,0.288111223,0.75373526,0.204896732,0.611667185,0.424205408,0.430227906,6.964590245,9.414658361,18.53751566,0.63060289,1.466100499,3.056545464,0.960913515,0.152988944,0.732905798,0.230410146,0.208439027,0.206620486,0.08574057,4.170447923,3.551702654,8.17149071,0.599358697,0.500800083,3.989266361,1.068525118,0.181060964,0.761477137,0.203961675,0.353446902,0.239681771,0.163715105,5.238852443,5.178399911,11.18904849,0.642215706,0.756843778,5.071179894,1.415227381,0.292456895,0.748086961,0.208770577,0.571024348,0.419275171,0.433222111,6.778864169,9.073867168,17.95165722,0.622130441,1.423521629,4.445740672,1.150072096,0.19564076,0.76763815,0.198580907,0.438672476,0.275177317,0.199499824,5.791453528,6.207691354,12.99944088,0.651457225,0.913349617,5.399810446,1.482249454,0.307147638,0.751099536,0.206177029,0.647229736,0.45790907,0.487831548,7.189207539,10.11767453,19.76525063,0.626649304,1.592970354,5.147160016,1.412838764,0.286413765,0.751803953,0.206361909,0.588142708,0.416553835,0.42183257,6.846412544,9.15098114,18.08022528,0.62770593,1.426529113 +UMLS0152,L,"2,5-Dimethylfuran",CC1=CC=C(O1)C,12266,MON from [1],"Sandia, UML","[1], [9]",C6H8O,PubChem,,13.2,0,2.4326,5.91754276,38.5892,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1179.348079,1382.201192,1112.811677,827.498116,718.448644,242.14176,25.4016,0,3823.307636,4570.930941,5764.231753,5913.49121,4754.006523,3463.108659,2294.732327,777.0936108,0,154.382624,152.43046,255.626144,292.34066,373.270288,235.707664,142.35264,167.9616,0,28.53578067,35.11192034,46.80112663,51.35636954,45.42701054,31.1833012,22.2708862,11.11532262,0,3603.201977,3031.276161,5619.737228,6273.563915,9180.748148,5736.755942,3062.450954,4622.941301,0,50.05555556,53.91666667,71.33333333,89.44444444,83.66666667,61.66666667,50,25,0,53.10626655,56.15943233,38.39447756,27.14174822,15.32403919,21.13084247,12.107088,1.016064,0,173.7867107,217.6633782,160.1175487,144.2314929,88.03715784,101.856137,114.7366164,31.08374443,0,7.017392,7.258593333,7.100726222,7.13026,6.912412741,6.932578353,7.117632,6.718464,0,1.297080939,1.671996207,1.300031295,1.252594379,0.841240936,0.917155918,1.11354431,0.444612905,0,163.781908,144.3464838,156.1038119,153.013754,170.0138546,168.7281159,153.1225477,184.917652,0,2.275252525,2.567460317,1.981481481,2.181571816,1.549382716,1.81372549,2.5,1,0,0.057848584,-0.003951849,-0.009829613,-0.046118124,0.035277962,0.014293692,-0.05437264,0.035776281,0,616.3360458,-49.02673092,48.02618539,-587.3202255,204.1112879,236.1287448,-560.3054962,400.2182116,0,1146.103196,-91.16729966,89.30674252,-1092.147039,379.5536557,439.0914841,-1041.911996,744.2228543,0,0.120736,-0.009604,0.009408,-0.115052,0.039984,0.046256,-0.10976,0.0784,0,5.123614541,-0.407560248,0.399242692,-4.882405415,1.696781439,1.962943233,-4.657831401,3.327022429,0,27.8315555,-2.213873733,2.168692637,-26.5213037,9.216943706,10.6627388,-25.3014141,18.07243864,0,8.232323232,-2.67630854,2.352157943,-7.718319559,2.025711662,6.807621671,-8.494031221,3.587006428,0,0.002629481,-1.88E-04,-2.73E-04,-0.001124832,6.53E-04,4.20E-04,-0.002718632,0.001431051,0,28.01527481,-2.334606234,1.334060705,-14.32488355,3.779838665,6.944963083,-28.01527481,16.00872846,0,52.0955998,-4.341299984,2.480742848,-26.63773265,7.028771402,12.91445541,-52.0955998,29.76891417,0,0.005488,-4.57E-04,2.61E-04,-0.002806146,7.40E-04,0.001360471,-0.005488,0.003136,0,0.23289157,-0.019407631,0.011090075,-0.119083059,0.031421878,0.057733625,-0.23289157,0.133080897,0,1.265070705,-0.105422559,0.060241462,-0.646861066,0.170684143,0.313609965,-1.265070705,0.722897546,0,0.374196511,-0.127443264,0.065337721,-0.188251697,0.037513179,0.200224167,-0.424701561,0.143480257,0,-0.071566694,-0.103839807,-0.427777289,0.248450385,0.15988048,-1.033904385,0.544233324,0,-0.083333333,0.047619048,-0.511324042,0.134920635,0.24789916,-1,0.571428571,0,-0.083333333,0.047619048,-0.511324042,0.134920635,0.24789916,-1,0.571428571,0,-0.083333333,0.047619048,-0.511324042,0.134920635,0.24789916,-1,0.571428571,0,-0.083333333,0.047619048,-0.511324042,0.134920635,0.24789916,-1,0.571428571,0,-0.083333333,0.047619048,-0.511324042,0.134920635,0.24789916,-1,0.571428571,0,-0.34057844,0.174608044,-0.503082448,0.100249943,0.535077589,-1.134969325,0.383435583,0,1.272844754,1.131069313,1.468064016,0.512923451,0.797257891,2.354181918,0.058914689,0,1.375,1.03125,1.609756098,0.6875,0.606617647,2.0625,0,0,1.375,1.03125,1.609756098,0.6875,0.606617647,2.0625,0,0,1.375,1.03125,1.609756098,0.6875,0.606617647,2.0625,0,0,1.375,1.03125,1.609756098,0.6875,0.606617647,2.0625,0,0,1.375,1.03125,1.609756098,0.6875,0.606617647,2.0625,0,0,1.629754601,0.505853783,1.781841987,0.620671438,0.241753879,3.188650307,0,0,34.46672564,17.23336282,27.62408835,34.46672564,4.308340705,17.23336293,-1.07E-14,5.55E-17,6.94E-18,-29.9439582,27.475724,3.4344655,2.650642281,34.46672564,17.23336282,27.62408835,34.46672564,4.308340705,17.23336293,-1.07E-14,5.55E-17,6.94E-18,-29.9439582,27.475724,3.4344655,2.650642281,34.46672564,17.23336282,27.62408835,34.46672564,4.308340705,17.23336293,-1.07E-14,5.55E-17,6.94E-18,-29.9439582,27.475724,3.4344655,2.650642281,34.46672564,17.23336282,27.62408835,34.46672564,4.308340705,17.23336293,-1.07E-14,5.55E-17,6.94E-18,-29.9439582,27.475724,3.4344655,2.650642281,34.46672564,17.23336282,27.62408835,34.46672564,4.308340705,17.23336293,-1.07E-14,5.55E-17,6.94E-18,-29.9439582,27.475724,3.4344655,2.650642281,34.46672564,17.23336282,27.62408835,34.46672564,4.308340705,17.23336293,-1.07E-14,5.55E-17,6.94E-18,-29.9439582,27.475724,3.4344655,2.650642281,53.094049,26.2595245,43.65365876,52.662799,6.582849875,26.2595245,-0.575,1.67E-16,2.08E-17,-29.06506837,25.57467932,3.196834915,2.593282218,0,11.89,12.11011416,-0.173126467,0.049818096,5.82084375,7.914152671,7,21,19,19,5,2,2,0,0,2,15.304898,3.576488211,3.298755135,2.558281964,2.233129697,2.208510815,1.584740816,0.434253304,0.41562294,1.899761233,1.685923137,1.302892393,1.124997482,1.077825751,0.714844463,0.083923071,0.083923071,3.596826834,3.322041737,2.610279091,2.30253787,2.275705461,1.674105265,0.543083167,0.531306653,1.849518374,1.624281372,1.20086542,1.01254338,0.966866026,0.576328096,0.270913902,0.270913902,3.688694656,3.429599849,2.838974676,2.592565043,2.556723059,2.04733523,0.963750594,0.963681451,1.707523373,1.452052821,0.884109838,0.647206309,0.609793082,0.117128574,0.943918427,0.943918427,3.61193881,3.339477877,2.64868349,2.352927729,2.324487837,1.739087476,0.620306824,0.612327227,1.818037141,1.585774801,1.13431511,0.938020094,0.89363632,0.48379033,0.399277246,0.399277246,3.734918524,3.484921434,2.948522433,2.723917585,2.684414328,2.214667507,1.207644823,1.207644823,1.665033815,1.401563098,0.781320839,0.52161366,0.487893518,0.043631227,1.133676115,1.134624716,3.594946474,3.423743283,2.605710846,2.481638723,2.481608742,1.712899703,0.60859854,0.606104006,1.886270738,1.54801905,1.145494759,0.816449321,0.723232462,0.457008477,0.489795918,0.489795918,0,0,2,0,2,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.5,0,0,0,0.577350269,0.333333333,0.666666667,0.353553391,0.176776695,0.301776695,6.568914101,3.625897658,3.365043969,1.321367205,0.666666667,0.666666667,0,0,0.821114263,0.51798538,0.420630496,0.264273441,0.166666667,0.166666667,0,0,5.828427125,2.914213562,2.414213562,0.978553391,0.426776695,0.364276695,0,0,0.728553391,0.416316223,0.301776695,0.195710678,0.106694174,0.091069174,0,0,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.77118,38.322,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,56,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,2,4,0,2,0,0,0,0,0,0,0,0,2,2,2,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.05898148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.74375,0,0,0,0.667361111,1.281805556,0,0.74375,0,0,0,0,0,0,0,0,4.089166667,7.571944444,2.185185185,0,0,0,0,0,0,2.487037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.243518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.371875,0,0,0,0.333680556,0.307222222,0,0.371875,0,0,0,0,0,0,0,0,2.044583333,3.785972222,1.092592593,0,0,0,0,0,0,1.243518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.785972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.371875,0,0,0,0.333680556,0.333680556,0,0.371875,0,0,0,0,0,0,0,0,2.044583333,3.785972222,1.092592593,0,0,0,0,0,0,1.243518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.33333333,2.041666667,0.371875,3.785972222,0.087222222,1.092592593,4.87698537,0.423148148,0.785972222,3.322222222,0.423148148,0.785972222,3.322222222,4,0.5,0,0,0.44545,0.7,0.42308,0.42308,0.7,0.02238,0.02238,0,0,0.71429,0,0,0.5,0.25,0,5.5,0.6875,3.5,0.4375,2,0.25,-1.5,-0.1875,0,0,6.21275,0.77659,8.87961,2.66686,0.33336,2.54328,0.31791,3.62588,1.0826,0.13533,0.28812,0.03601,0.28812,0.03601,0,7,0,0,0,0,0,0,0.5,0.945660305,2.222191576,2.663532755,2.663532755,2.663532755,2.349038971,20.8045267,48.88821466,58.59772061,58.59772061,58.59772061,51.67885737,0.212058483,0.498312737,0.597280771,0.597280771,0.597280771,0.526757482,3.513771314,2.237240043,1.795898864,1.795898864,1.795898864,2.110392647,0.209052139,0.491248179,0.588813148,0.588813148,0.588813148,0.519289665,6.786633838,16.06746307,16.51225776,16.51225776,16.51225776,12.73833236,31.28312609,22.05484971,21.74036979,21.74036979,21.74036979,17.96644439,8,3.9375,7.2,8,2,6,2.34,1.1498,1.62865057,3.265986324,4,0,1,2.828427125,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.123,0.112,0.159,0.31,3.506,8,5,4,4,0,0,0,0,0,36,2.302585093,2.564949357,2.079441542,1.945910149,2.302585093,0,0,0,0,0,3.951243719,1.416666667,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,5,0.714285714,0,3,5,0.666666667,2.5,0.666666667,0.25,0.32,0,0,0,0,0,0,0.357142857,0.083333333,0.05,0.08,0,0,0,0,0,0,0.57047619,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,0,141.6514183,4,3.433987204,4.043051268,4.779123493,5.424950017,6.150602768,6.814542897,7.529943371,8.204398418,8.912338567,70.292938,2.708050201,0,3.850147602,0,5.105945474,0,6.408528791,0,7.738488122,8.049746291,110.1095504,5.004979566,14.50192071,1.812740089,0,0,0,74,5,3.146,30,1.224714286,2.133910211,3.016914659,3.600614224,4.4151813,5.815019974,6.208628501,0,0,0,78.92388464,93.33631277,88.08868555,66.0040146,112.1052314,70.40295854,6.308363909,0,0,0,290.2780116,373.004549,450.8575028,347.0493504,511.3517512,667.1957159,192.9874216,0,0,0,8.922164331,15.21827776,21.53896839,24.95357486,30.78021446,41.38917225,41.71244707,0,0,0,2.176321134,2.961552888,3.868851764,3.209826371,4.44973989,6.475282404,2.760436353,0,0,0,174.7621987,328.4419769,459.7646175,607.5570321,732.1525128,890.4106734,1148.085005,0,0,0,3.214654762,4.463139751,6.637000879,5.707952139,8.651506436,14.35315722,6.208628501,0,0,0,0.450343929,0.620295997,0.819701911,0.692105356,0.949559508,1.395604794,0.635763559,0,0,0,376.1633088,189.373,13.29997266,211.680873,-106.5671239,-14.87925091,164.4824358,295.9401239,28.17922357,0.639903091,0.322148293,0.022624997,0.360096909,-0.181284645,-0.025311556,221.1254124,111.3218162,7.818311546,124.4353696,-62.64486378,-8.746681073,0.106134764,0.198042146,3.092208485,9.099339467,587.8441817,0,1,0,480.2213113,21.91395243,7.830938437,616.6890656,24.83322503,8.511813174,782.2586088,27.96888644,9.214040505,1.748153027,1.748153027,612.2345023,517.0481653,108.5865002,1.184095687,5.638219309,4.761624734,4.30769398,4.462585949,7.77251563,0.741706652,4.231264441,5.085415371,7.914290896,13.41321447,1.309876703,10.02530709,4.005296738,7.021430812,4.572793539,1.137702872,2.279887433,1.497207057,5.564337661,0.006971944,0.011313408,2.07E-23,7.33E-66,5.00E-130,6.57E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,0.355122119,5.085209014,0.288207882,7.205045568,0.042713435,0.450779435,0.455998534,0.278717648,3.151667923,0.02203788,0.17776244,0.272277156,0.182315892,4.94E-05,7.97E-05,1.46E-25,5.16E-68,3.52E-132,4.63E-218,0,0,0,0,0,0,0,0,0,0,0,1.146325404,5.085223258,1.178116555,7.915031852,0.181078362,1.712030678,0.8958015,1.103694644,3.35978097,0.119521865,0.582779702,0.516509461,0.77610878,5.12E-04,8.30E-04,1.52E-24,5.38E-67,3.67E-131,4.82E-217,0,0,0,0,0,0,0,0,0,0,0,3.993969786,5.085392876,7.211557934,12.83602412,1.189747219,9.193960602,3.687299311,6.413595782,4.456795335,1.023325577,2.142681231,1.42016517,5.056275282,0.006212084,0.010080043,1.85E-23,6.53E-66,4.45E-130,5.86E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,1.689461654,5.085241314,1.986979112,8.567869292,0.311778171,2.783640003,1.282241159,1.833724056,3.526982342,0.225114602,0.867958612,0.685890016,1.333612324,0.001112424,0.00180361,3.31E-24,1.17E-66,7.97E-131,1.05E-216,0,0,0,0,0,0,0,0,0,0,0,5.109859743,5.085509859,10.784007,15.77411764,1.802979727,13.38181598,5.297048912,9.493436057,5.035207632,1.613507579,2.797569084,1.784789011,7.648226858,0.010166942,0.016499543,3.02E-23,1.07E-65,7.29E-130,9.59E-216,3.0E-323,0,0,0,0,0,0,0,0,0,0,2.242353711,3.476656682,2.373230613,9.150867207,0.461616127,3.280984858,1.391199674,2.14348591,4.405864468,0.30211343,1.454716159,0.786662633,1.781501538,0.00167351,0.002714087,4.97E-24,1.76E-66,1.20E-130,1.58E-216,0,0,0,0,0,0,0,0,0,0,0,5.717516235,1.609137186,0.302184559,0.74946096,0.210928216,0.563994215,0.52988804,0.363622336,7.62883798,11.41426952,21.82328642,0.62419144,1.45750459,4.634737302,0.925205097,0.060809844,0.824575982,0.164605209,0.376059927,0.189436598,0.014724949,5.620752242,4.626181803,10.50769168,0.736863974,0.580221473,5.044376273,1.188325613,0.152724779,0.789982649,0.186099641,0.44247442,0.304285364,0.092880603,6.385426665,6.946249544,14.24716375,0.684973974,0.839640388,5.68857274,1.591305438,0.295793949,0.750900071,0.210054687,0.558448271,0.519416023,0.348405165,7.575672126,11.20560065,21.45887554,0.626350107,1.42626946,5.235393819,1.30910174,0.195323205,0.776785549,0.194233968,0.475381653,0.364167684,0.151919562,6.739818765,8.131955008,16.21045323,0.665178324,0.9914689,5.808882845,1.665285244,0.322338569,0.745062257,0.213593769,0.581691994,0.563341501,0.413742906,7.796506658,12.08265953,22.99729121,0.617593385,1.558776401,5.694882669,1.600542785,0.294880122,0.750283715,0.210866713,0.560219229,0.52958778,0.346255762,7.590305577,11.26617932,21.54428871,0.625425573,1.43606277 +UMLS0153,L,"2,5-dimethyl-1,5-hexadiene",CC(=C)CCC(=C)C,12322,,UML,[1],C8H14,PubChem,,24.7,0,1.2871,1.65662641,36.2764,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1300.504639,1076.576093,846.631972,646.827051,461.161346,157.477824,18.289152,3885.475125,4800.404174,5976.565422,5827.549678,4828.061034,3728.011456,2804.865983,1749.84433,559.5073998,167.819552,166.665724,297.110716,344.4917,353.913232,270.87294,208.387208,166.033152,120.932352,29.42500648,37.33900896,50.46917399,52.23754716,45.43103463,35.07566706,26.7230696,18.69788658,8.003032287,3973.037281,3337.521256,6628.390914,7880.085549,8562.404983,6528.696872,5017.946613,4056.482397,3328.517736,41.52777778,49.5,72.41666667,81.83333333,73.83333333,57.66666667,45,36,18,48.76541633,52.3287937,30.96439617,21.97094067,16.6006269,16.585309,15.37204487,6.561576,1.016064,161.8947969,208.713225,142.2991767,118.9295853,94.66786341,95.59003733,93.49553276,72.9101804,31.08374443,6.992481333,7.246335826,7.074064667,7.030442857,6.939475137,6.94546,6.946240267,6.918048,6.718464,1.226041937,1.623435172,1.201647,1.066072391,0.890804601,0.899376078,0.890768987,0.779078607,0.444612905,165.54322,145.1096198,157.8188313,160.8180724,167.8902938,167.4024839,167.2648871,169.0200999,184.917652,1.730324074,2.152173913,1.724206349,1.670068027,1.447712418,1.478632479,1.5,1.5,1,0.042597834,5.34E-04,-0.012571057,-0.02354656,0.01113114,7.34E-04,-7.59E-04,-0.008166093,0.011343702,645.6853813,-53.80711511,-80.71067267,-269.0355756,40.35533633,-2.74E-13,-40.35533633,-161.4213453,242.132018,1200.679538,-100.0566282,-150.0849423,-500.283141,75.04247115,1.42E-13,-75.04247115,-300.1698846,450.2548269,0.126485333,-0.010540444,-0.015810667,-0.052702222,0.007905333,-7.38E-16,-0.007905333,-0.031621333,0.047432,5.367596186,-0.447299682,-0.670949523,-2.236498411,0.335474762,-2.69E-15,-0.335474762,-1.341899046,2.01284857,29.15686767,-2.429738973,-3.644608459,-12.14869486,1.822304229,2.73E-14,-1.822304229,-7.289216918,10.93382538,3.609953704,-0.891251929,0.718460648,-2.268470293,0.433015046,-0.126591435,0.640335648,-1.498842593,1.188368056,0.00177491,2.32E-05,-2.99E-04,-4.81E-04,2.18E-04,1.88E-05,-2.53E-05,-3.40E-04,6.30E-04,26.90355756,-2.339439787,-1.921682683,-5.49052195,0.791281105,-7.01E-15,-1.345177878,-6.725889389,13.45177878,50.0283141,-4.350288182,-3.573451007,-10.20986002,1.471421003,3.64E-15,-2.501415705,-12.50707852,25.01415705,0.005270222,-4.58E-04,-3.76E-04,-0.001075556,1.55E-04,-1.89E-17,-2.64E-04,-0.001317556,0.002635111,0.223649841,-0.019447812,-0.015974989,-0.045642825,0.006577937,-6.90E-17,-0.011182492,-0.05591246,0.111824921,1.214869486,-0.105640825,-0.086776392,-0.247932548,0.035731455,7.00E-16,-0.060743474,-0.303717372,0.607434743,0.150414738,-0.038750084,0.017106206,-0.046295312,0.008490491,-0.003245934,0.021344522,-0.062451775,0.066020448,0.013090252,-0.168634425,-0.270741673,0.122968313,0.010606145,-0.014246842,-0.191702068,0.355063516,-0.086956522,-0.071428571,-0.204081633,0.029411765,-2.61E-16,-0.05,-0.25,0.5,-0.086956522,-0.071428571,-0.204081633,0.029411765,7.28E-17,-0.05,-0.25,0.5,-0.086956522,-0.071428571,-0.204081633,0.029411765,-3.59E-15,-0.05,-0.25,0.5,-0.086956522,-0.071428571,-0.204081633,0.029411765,-3.09E-16,-0.05,-0.25,0.5,-0.086956522,-0.071428571,-0.204081633,0.029411765,5.76E-16,-0.05,-0.25,0.5,-0.25762159,0.113726927,-0.307784415,0.056447202,-0.021579895,0.141904457,-0.415197179,0.438922732,1.332180143,1.357281851,1.365813411,0.753693676,0.909375461,0.874327482,0.883296614,0.005344343,1.5,1.180803571,1.232142857,0.845588235,0.884615385,0.934375,1.078125,0,1.5,1.180803571,1.232142857,0.845588235,0.884615385,0.934375,1.078125,0,1.5,1.180803571,1.232142857,0.845588235,0.884615385,0.934375,1.078125,0,1.5,1.180803571,1.232142857,0.845588235,0.884615385,0.934375,1.078125,0,1.5,1.180803571,1.232142857,0.845588235,0.884615385,0.934375,1.078125,0,1.70823982,0.806943617,1.424867991,0.744356223,0.898512837,0.725617185,1.592818211,0,37.2538728,18.6269364,29.46437487,37.2538728,4.6567341,18.62693643,0,0.152176307,0.019022038,-1.506172411,117.2294631,14.65368288,3.81130659,37.2538728,18.6269364,29.46437487,37.2538728,4.6567341,18.62693643,0,0.152176307,0.019022038,-1.506172411,117.2294631,14.65368288,3.81130659,37.2538728,18.6269364,29.46437487,37.2538728,4.6567341,18.62693643,0,0.152176307,0.019022038,-1.506172411,117.2294631,14.65368288,3.81130659,37.2538728,18.6269364,29.46437487,37.2538728,4.6567341,18.62693643,0,0.152176307,0.019022038,-1.506172411,117.2294631,14.65368288,3.81130659,37.2538728,18.6269364,29.46437487,37.2538728,4.6567341,18.62693643,0,0.152176307,0.019022038,-1.506172411,117.2294631,14.65368288,3.81130659,37.2538728,18.6269364,29.46437487,37.2538728,4.6567341,18.62693643,0,0.152176307,0.019022038,-1.506172411,117.2294631,14.65368288,3.81130659,42.81395947,21.33406307,34.46307057,42.70458447,5.338073059,21.33406307,-0.145833333,0.23781305,0.029726631,-1.149016334,29.4050585,3.675632312,2.704933374,0,11.89,12.11011416,-0.173262233,0.049716441,5.148838661,7.613982403,7,23,22,22,6,1,1,0,0,1,17.491312,3.562470018,3.236379977,2.693124251,2.333552793,2.09525884,1.567614257,1.190357327,0.354660587,1.905810649,1.724255375,1.393573128,1.249629723,0.984731436,0.668813277,0.519142968,0.083923071,3.583519303,3.269735863,2.743313396,2.405454588,2.161998246,1.655758046,1.306821571,0.480308841,1.851662065,1.654143448,1.298572975,1.134540686,0.86938415,0.533596664,0.368612553,0.270913902,3.679796034,3.415958743,2.960625058,2.704236987,2.446001513,2.020044381,1.767326116,0.959218208,1.699737379,1.445002078,1.00302623,0.76031856,0.500342653,0.087775106,0.150423952,0.943918427,3.599226415,3.294295873,2.780167495,2.457539916,2.210765292,1.719568294,1.389852349,0.569017035,1.817803255,1.609224769,1.236622823,1.058262671,0.793364165,0.443539047,0.266675219,0.399277246,3.728855742,3.486696067,3.063354135,2.838982085,2.57703404,2.182365302,1.962850134,1.207644823,1.654829125,1.379012473,0.906271989,0.631337262,0.375813069,0.068349439,0.341520314,1.150770421,3.624213454,3.300568446,2.833280786,2.601972834,2.29631296,1.787556062,1.462759614,0.670046087,1.810205253,1.554447278,1.162800176,0.907855187,0.693774026,0.337571058,0.157116089,0.564705882,0,0,0,1,1,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.288675135,0,0,0,0.288675135,0.204124145,0.144337567,0.204124145,0.144337567,0.102062073,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,6.198670613,3.404030206,2.42370294,1.110263394,0.594861352,0.306186218,0.204124145,0,0.774833827,0.486290029,0.346243277,0.222052679,0.148715338,0.102062073,0.102062073,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,3,0,1,0,0,0,0,0,0,0,0,3,0,3,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.738148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.278541667,0,0,0.97625,0.870833333,0,0.278541667,0,0,0,0,0,0,0,0,6.518009259,0,3.910509259,0,2.295138889,0,0,0,0,1.443009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.443009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.278541667,0,0,0.216944444,0.290277778,0,0.278541667,0,0,0,0,0,0,0,0,2.148472222,0,1.262731481,0,2.295138889,0,0,0,0,1.443009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.295138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.278541667,0,0,0.290277778,0.290277778,0,0.278541667,0,0,0,0,0,0,0,0,2.221064815,0,1.338472222,0,2.295138889,0,0,0,0,1.443009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.16666667,1.770833333,0.290277778,2.295138889,0.064652778,1.262731481,5.139820046,0.237268519,0.295138889,1.626296296,0.237268519,0.295138889,1.626296296,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.375,0.125,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.31073,0.91384,8.40872,1.09799,0.13725,3.17869,0.39734,3.77005,0.59135,0.07392,0.14395,0.01799,0.14395,0.01799,0,7,0,0,0,0,0,0,0.75,0.918295834,1.976489212,3.240601563,3.40726823,3.40726823,3.216228125,22.03910002,47.43574108,77.77443751,81.77443751,81.77443751,77.18947501,0.200284263,0.43108078,0.706789109,0.743139825,0.743139825,0.701473158,3.666666667,2.608473289,1.344360938,1.177694271,1.177694271,1.368734375,0.200284263,0.43108078,0.706789109,0.743139825,0.743139825,0.701473158,6.73287657,16.95949615,19.1495148,19.31748564,19.31748564,17.02500439,31.59900002,18.30285172,17.09924844,16.57092761,16.57092761,15.42468698,8,5.142857143,7.2,8,2,7,2.34,1.1928,0.721124785,4.146039495,1.754410643,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,3.683,7,5,4,3,2,0,0,0,0,36,2.197224577,2.397895273,2.197224577,2.079441542,1.945910149,1.609437912,0,0,0,0,3.951243719,1.416666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,0,144.287877,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,112.1252005,4.671883355,14.66595917,1.833244896,0,0,0,79,5,3.974,28,1.214424913,2.102604245,2.94089802,3.64643414,4.718525548,5.838247145,6.853176859,7.835022029,0,0,74.53423746,75.03306125,75.0365562,75.51553379,93.97275214,103.7857572,48.46061148,7.960883823,0,0,279.1322503,327.8705673,377.4795126,392.6195405,503.0635733,592.7020338,526.0117219,243.5418224,0,0,8.835280726,14.94022287,20.73038215,25.43046882,32.91900335,40.68727757,47.53631912,52.63931344,0,0,2.110795101,2.702553045,3.298155924,3.551779829,4.582970057,5.507058902,5.549834544,3.483551904,0,0,174.0363473,327.0463469,469.147224,602.8554423,778.9209637,966.5384468,1148.311191,1448.833877,0,0,2.702301601,3.794011193,5.048209789,5.561324372,7.315059094,9.112860318,10.594702,7.835022029,0,0,0.437466512,0.569688156,0.702340523,0.762070998,0.984187138,1.186185166,1.21659917,0.802306256,0,0,369.1506195,169.1793909,10.05602302,103.3402687,-47.36019064,-6.373785197,265.8103508,216.5395815,16.42980822,0.781286219,0.358058526,0.021282999,0.218713781,-0.100235141,-0.013489753,174.4203041,79.93572066,4.751379248,48.82733534,-22.37725854,-3.011555429,0.124691145,0.186095391,1.712981017,1.644538197,472.4908882,0,1,0,457.8376148,21.39714034,7.707327678,617.9871818,24.85934798,8.517781378,716.3590603,26.76488484,8.947676062,2.104289002,2.104289002,817.280524,752.8137777,83.52206639,1.085634387,9.785204788,9.013351922,4.564693326,4.642480132,9.034087093,0.94596139,6.498765626,5.981505575,2.569189578,21.19632753,10.49277205,5.854474111,5.575490017,9.654718939,10.5744674,2.595242407,4.956112392,5.492879021,4.607654025,5.489072651,1.556980064,0.58062507,1.780716493,7.47E-10,6.04E-41,9.43E-94,2.84E-168,1.65E-264,0,0,0,0,0,0,0,0,0.545401471,5.972758138,0.21047993,6.937440382,1.135401343,0.332934473,0.807320626,1.195931331,3.29104436,0.141729189,0.23828052,0.339737554,0.239665396,1.27077371,0.04918639,0.036377519,0.012541732,5.26E-12,4.25E-43,6.64E-96,2.00E-170,1.16E-266,0,0,0,0,0,0,0,0,1.760610016,5.973342811,0.682838039,8.092908366,1.954693872,1.178603919,1.665648458,2.045721564,4.279574087,0.345276976,0.884260673,1.112350491,0.856655022,2.090469318,0.212469261,0.125569044,0.130694516,5.48E-11,4.43E-42,6.92E-95,2.08E-169,1.21E-265,0,0,0,0,0,0,0,0,6.134304939,5.980545237,2.421570081,19.70252132,9.534050604,5.416901355,5.242918056,8.826685091,9.952344645,2.339877021,4.555135424,5.078616897,4.243100978,5.216203458,1.413558253,0.539558775,1.586586336,6.65E-10,5.38E-41,8.40E-94,2.53E-168,1.47E-264,0,0,0,0,0,0,0,0,2.594812586,5.974100733,1.009800481,9.407218974,2.840977672,1.842681336,2.288996778,2.889424496,5.106086392,0.573270748,1.42183854,1.725641077,1.361736445,2.665442071,0.367459894,0.193299091,0.283885952,1.19E-10,9.63E-42,1.50E-94,4.52E-169,2.62E-265,0,0,0,0,0,0,0,0,7.848199507,5.985543633,3.119415313,27.43219049,14.48061236,7.587638415,6.853029808,13.07275635,13.07801163,3.66015025,6.568092839,7.13887439,6.067734027,6.515993398,2.146044585,0.741472175,2.597007651,1.09E-09,8.81E-41,1.37E-93,4.14E-168,2.40E-264,0,0,0,0,0,0,0,0,3.771411295,5.485138536,1.362466998,11.8303224,4.437614313,2.947013149,2.986374313,4.052494917,6.571879652,0.951345208,2.122946637,2.690207708,2.056477237,3.98437808,0.65504535,0.319085984,0.56785755,2.38E-10,1.93E-41,3.01E-94,9.05E-169,5.25E-265,0,0,0,0,0,0,0,0,7.983591842,1.277832988,0.393903526,0.826858658,0.13234485,0.596881979,0.542699391,0.499966897,9.655328356,13.84980491,27.52361769,0.740287986,1.639548267,6.641448482,0.660612691,0.084919389,0.899074856,0.089429326,0.412794316,0.144368001,0.023236742,7.386980562,5.007511723,12.76706975,0.848612283,0.58039906,7.174323902,0.905932917,0.207637859,0.865638884,0.109307967,0.481805851,0.272167996,0.138923142,8.287894678,8.177223403,17.81465124,0.798458326,0.892896989,7.950347107,1.2625694,0.386253949,0.828232725,0.131529011,0.59191054,0.529779002,0.480736813,9.599170456,13.59639036,27.0727258,0.742349088,1.602426355,7.411928679,1.015201969,0.262338532,0.852978303,0.116831299,0.514307868,0.34206316,0.221761261,8.68946918,9.73536567,20.39882857,0.779467455,1.078132289,8.087677184,1.325614256,0.417852308,0.822658827,0.134838254,0.612582284,0.584148952,0.562609583,9.831143748,14.65450573,28.96550264,0.73398824,1.759340818,7.966966628,1.264913134,0.386490285,0.828307352,0.131510134,0.594394277,0.531767546,0.481325288,9.618370048,13.64555257,27.15878649,0.742461028,1.60748711 +UMLS0154,L,2-methyl-2-heptene,CCCCC=C(C)C,12330,[9] has RON of 79.8,UML,[1],C8H16,PubChem,,8.4,0,1.0604,1.12444816,30.368,15.894344,0,0,14,6,8,0,6,0,0,0,0,0,0,0,0,0,873.713238,962.44143,1061.330262,636.666411,107.017344,6.096384,0,0,0,2789.771366,3458.994341,4439.054761,3417.174011,1228.730375,186.5024666,0,0,0,98.990808,102.184152,172.562136,203.6883,124.125696,40.310784,0,0,0,20.29030324,25.64175448,35.43933477,30.62953801,13.35448353,2.667677429,0,0,0,2240.107353,1985.746518,3580.562204,4679.520352,3074.156902,1109.505912,0,0,0,28.5,34,52,50.25,24,6,0,0,0,62.40808843,68.74581643,44.22209425,21.95401417,5.945408,1.016064,0,0,0,199.2693833,247.0710244,184.9606151,117.8335866,68.26279863,31.08374443,0,0,0,7.070772,7.298868,7.190089,7.023734483,6.895872,6.718464,0,0,0,1.449307374,1.831553891,1.476638949,1.056190966,0.741915752,0.444612905,0,0,0,160.0076681,141.839037,149.1900918,161.3627708,170.7864946,184.917652,0,0,0,2.035714286,2.428571429,2.166666667,1.732758621,1.333333333,1,0,0,0,0.046692287,-0.001885002,-0.024380482,-0.009550722,0.001034338,0.011435724,0,0,0,415.0834594,2.77E-13,-192.7173204,-133.4196834,-14.82440927,133.4196834,0,0,0,771.8654175,1.85E-13,-358.3660867,-248.0995985,-27.56662205,248.0995985,0,0,0,0.081312,1.25E-15,-0.037752,-0.026136,-0.002904,0.026136,0,0,0,3.450597548,-1.67E-16,-1.602063147,-1.10912064,-0.123235627,1.10912064,0,0,0,18.74370065,2.89E-14,-8.702432443,-6.024760922,-0.66941788,6.024760922,0,0,0,2.714285714,0.071428571,-1.510204082,-0.836734694,0.153061224,0.765306122,0,0,0,0.003335163,-1.35E-04,-0.001015853,-3.29E-04,5.75E-05,0.001905954,0,0,0,29.64881853,1.98E-14,-8.029888352,-4.600678738,-0.823578293,22.2366139,0,0,0,55.13324411,1.32E-14,-14.93192028,-8.555158568,-1.531479003,41.34993308,0,0,0,0.005808,8.92E-17,-0.001573,-9.01E-04,-1.61E-04,0.004356,0,0,0,0.246471253,-1.19E-17,-0.066752631,-0.038245539,-0.006846424,0.18485344,0,0,0,1.33883576,2.06E-15,-0.362601352,-0.207750377,-0.037189882,1.00412682,0,0,0,0.193877551,0.005102041,-0.06292517,-0.02885292,0.008503401,0.12755102,0,0,0,-0.040370733,-0.3045888,-0.098746358,0.01722951,0.571472439,0,0,0,6.68E-16,-0.270833333,-0.155172414,-0.027777778,0.75,0,0,0,2.39E-16,-0.270833333,-0.155172414,-0.027777778,0.75,0,0,0,1.54E-14,-0.270833333,-0.155172414,-0.027777778,0.75,0,0,0,-4.83E-17,-0.270833333,-0.155172414,-0.027777778,0.75,0,0,0,1.54E-15,-0.270833333,-0.155172414,-0.027777778,0.75,0,0,0,0.026315789,-0.324561404,-0.148820327,0.043859649,0.657894737,0,0,0,1.078164008,1.349279935,1.048472548,0.728737864,0,0,0,0,1.083333333,1.263888889,1.045977011,0.842592593,0,0,0,0,1.083333333,1.263888889,1.045977011,0.842592593,0,0,0,0,1.083333333,1.263888889,1.045977011,0.842592593,0,0,0,0,1.083333333,1.263888889,1.045977011,0.842592593,0,0,0,0,1.083333333,1.263888889,1.045977011,0.842592593,0,0,0,0,1.026315789,1.396929825,1.073502722,0.665204678,0,0,0,0,15,7.5,11.5,15,2.5,7.501971149,-1.78E-15,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,15,7.5,11.5,15,2.5,7.501971149,-1.78E-15,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,15,7.5,11.5,15,2.5,7.501971149,-1.78E-15,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,15,7.5,11.5,15,2.5,7.501971149,-1.78E-15,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,15,7.5,11.5,15,2.5,7.501971149,-1.78E-15,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,15,7.5,11.5,15,2.5,7.501971149,-1.78E-15,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,16.21114958,7.966685902,12.36483405,16.17411254,2.695685424,7.967926453,-0.111111111,7.22E-16,1.20E-16,-20.91899904,4000004,666667.3333,9.121083551,0,11.8,12.2000406,-0.283910476,0.116140617,6.469625,6.892446621,6,14,12,12,4,2,2,0,0,2,8.745656,3.651216332,2.78450423,2.575436568,1.397562325,0.86540559,0.688243524,0.083923071,0.083923071,1.936543057,1.224439863,1.195696082,0.573504456,0.286367597,0.24227909,0.083923071,0.083923071,3.669512741,2.808317244,2.618897294,1.491194037,0.985397903,0.832040601,0.270913902,0.270913902,1.892596353,1.131777236,1.128697564,0.4307273,0.12318978,0.072888175,0.270913902,0.270913902,3.751324343,2.920211412,2.812965486,1.88172052,1.473624795,1.383117029,0.943918427,0.943918427,1.767959019,0.943919931,0.851903085,0.045499794,0.437920577,0.520908638,0.943918427,0.943918427,3.683058556,2.826249575,2.65114032,1.559288667,1.07208815,0.933369068,0.399277246,0.399277246,1.865043076,1.087024467,1.071994059,0.335125384,0.012758767,0.042414889,0.399277246,0.399277246,3.792101957,2.978812762,2.907866796,2.056040928,1.684196176,1.610293121,1.207644823,1.207644823,1.730364943,0.890764915,0.763549211,0.213281109,0.643045624,0.744909534,1.207644823,1.207644823,3.707549542,2.925315304,2.606599917,1.609149698,1.201343608,1.061896424,0.545454545,0.545454545,1.840780113,1.082739379,0.979193534,0.241929791,0.125261895,0.180253701,0.545454545,0.545454545,0,0,0,4,0,0,2,0,0,0,0,0,0.125,0,0,0,0,0.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,3.723614639,2.299659829,1.414213562,0.877664387,0.54203502,0.333333333,0,0,0.62060244,0.383276638,0.23570226,0.146277398,0.09033917,0.055555556,0,0,8.167311215,13.55134741,12.90196078,13.04,9.194217964,105.5984096,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,1.74498,26.974,21,27,42,7,21,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,36,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,2,0,4,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.722222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.438888889,0,0,0,0.761111111,0,1.438888889,0,0,0,0,0,0,0,0,0,0,2.277777778,0,8.722222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0,0,0.380555556,0,0.359722222,0,0,0,0,0,0,0,0,0,0,1.138888889,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0,0,0.380555556,0,0.359722222,0,0,0,0,0,0,0,0,0,0,1.138888889,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.380555556,2.180555556,0.359722222,1.138888889,3.540111111,0.361111111,0.180555556,1.444444444,0.361111111,0.180555556,1.444444444,3,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0,0,0,5,0.83333,3,0.5,2,0.33333,-1,-0.16667,0,0,3.20465,0.53411,5,1.79535,0.29922,1.91421,0.31904,3,1.08579,0.18096,-0.086,-0.01433,0,0,0.428571429,6,0,0,0,0,0,0,0.333333333,0.985228136,1.950212065,1.950212065,1.950212065,1.950212065,1.950212065,13.7931939,27.30296891,27.30296891,27.30296891,27.30296891,27.30296891,0.258769712,0.512222292,0.512222292,0.512222292,0.512222292,0.512222292,2.822126786,1.857142857,1.857142857,1.857142857,1.857142857,1.857142857,0.246307034,0.487553016,0.487553016,0.487553016,0.487553016,0.487553016,6.75154531,12.05010962,12.05010962,12.05010962,12.05010962,12.05010962,22.55053414,21.3369963,21.3369963,21.3369963,21.3369963,21.3369963,4.166666667,2.222222222,1.333333333,0,2,0,2.12,0.7594,0,0,0,0,9.125465128,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.115,0.112,0.477,0.52,3.004,6,6,6,6,0,0,0,0,0,36,2.197224577,2.397895273,2.564949357,2.833213344,3.044522438,0,0,0,0,0,4.290459441,2,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,13,18,3,9.000420062,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,0,94.70299035,3.584962501,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,65.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921172722,80.06260026,5.718757161,11.8125,1.96875,0,0,0,27,3,2.76,24,1.278845043,2.2770053,3.089788061,4.038656586,4.555454764,0,0,0,0,0,100.8926929,110.2353161,67.11151225,22.96312626,4.628633589,0,0,0,0,0,346.2869042,445.6602336,370.8222624,267.7830463,141.6005917,0,0,0,0,0,9.375647173,16.41632717,21.75262506,27.8123291,30.60565884,0,0,0,0,0,2.506788799,3.503500714,3.331373449,2.933114857,2.025413976,0,0,0,0,0,178.8047956,336.6729662,494.4021489,692.7533068,842.3839989,0,0,0,0,0,3.232064494,5.056255723,5.434434786,5.32436844,4.555454764,0,0,0,0,0,0.515346051,0.731471187,0.712398491,0.647538629,0.466478568,0,0,0,0,0,226.6403845,83.56119038,10.42669045,88.99968363,-32.81374378,-5.882894554,137.6407009,116.3749342,16.309585,0.718034266,0.264735687,0.033033482,0.281965734,-0.103959374,-0.018637984,71.53678641,26.37525983,3.291081283,28.09186621,-10.35733232,-1.856877238,0.155174427,0.227587741,3.98202034,4.917084024,315.6400681,0,1,0,408.9438978,20.22236133,7.422574706,487.2894356,22.07463331,7.869171288,595.2610613,24.39797248,8.412062513,1.112675271,1.050926565,199.4273886,109.1072508,104.1055791,1.827810592,1.915626332,1.048044223,3.210631455,3.915300274,4.993676917,0.275426294,2.557984613,0.257945033,6.888108942,5.492687565,2.191802853,2.333973162,5.883262652,2.334835678,2.721071645,7.91E-12,1.05E-44,2.87E-99,1.52E-175,1.55E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.214808466,0.257860375,0.87030454,0.662293357,1.037833122,0.16292089,0.306727785,0.016444453,0.01916473,5.57E-14,7.40E-47,2.02E-101,1.07E-177,1.09E-275,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.693100673,0.257866251,2.088247157,1.590883995,1.126080273,0.547642361,1.113383325,0.171363766,0.199711264,5.81E-13,7.71E-46,2.11E-100,1.12E-176,1.14E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.414537048,0.257935816,6.516017175,5.17666956,2.069046846,2.18038997,5.42455002,2.080296564,2.424425847,7.05E-12,9.36E-45,2.56E-99,1.35E-175,1.38E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.021433278,0.257873671,2.927420364,2.245374358,1.230396388,0.829092621,1.765596098,0.372224962,0.433799551,1.26E-12,1.67E-45,4.58E-100,2.42E-176,2.48E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.089106378,0.257983742,8.269982557,6.685814497,2.705480997,2.926095147,7.714878432,3.405138358,3.968427264,1.15E-11,1.53E-44,4.19E-99,2.22E-175,2.26E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.356233524,0.246099228,4.110975339,3.11639327,1.182469529,1.114366256,2.575110362,0.694661882,0.809575035,2.35E-12,3.12E-45,8.55E-100,4.52E-176,4.62E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.194041394,1.838305441,0.332277699,0.502687316,0.421182951,0.548441493,0.449672453,0.255220347,4.364624534,5.373177162,11.0779834,0.385805401,1.253334292,1.276568812,1.214122285,0.086984294,0.49524033,0.471014422,0.185679502,0.196139311,0.017485385,2.577675391,1.76656165,4.479054924,0.449382129,0.399304197,1.597587041,1.432520674,0.172811615,0.498790908,0.447254684,0.29079791,0.273059842,0.069023211,3.20291933,2.812214273,6.410626199,0.419068388,0.632880963,2.166390095,1.81949349,0.32488497,0.502553099,0.422080997,0.534705678,0.440516167,0.243988813,4.310768555,5.236686343,10.8280646,0.386951144,1.219210658,1.757488466,1.5413062,0.215562505,0.500088176,0.438574147,0.351917188,0.31610847,0.107403057,3.51435717,3.419924309,7.5182032,0.407993485,0.775428715,2.282629437,1.898574355,0.355962191,0.503095863,0.418449394,0.593620692,0.479641154,0.292905454,4.537165984,5.822092177,11.90190636,0.382317886,1.3661673,2.159501547,1.824674567,0.324720882,0.501172701,0.423466741,0.531315837,0.443034804,0.243740745,4.308896995,5.234132729,10.82255584,0.386959163,1.218091386 +UMLS0155,L,"1,4-cyclohexadiene",C1C=CCC=C1,12343,,UML,[1],C6H8,PubChem,,35.5,0,-0.2734,0.07474756,30.1747,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1179.348079,1164.28335,1010.029949,815.305348,618.548619,421.79189,225.035161,50.46048,3823.307636,4570.930941,5543.450159,5325.632446,4381.00159,3374.203245,2367.4049,1360.606555,521.1139543,154.382624,152.43046,269.813976,342.096692,292.64872,229.76382,166.87892,103.99402,41.907456,28.53578067,35.11192034,47.01536668,48.22395873,40.09165568,31.07012682,22.04859796,13.0270691,5.34340305,3603.201977,3031.276161,5915.048498,8070.856175,6961.736324,5482.781169,4003.826014,2524.870859,982.3254949,51.5,50.75,67.5,80.25,70,57.75,46,33,16,53.10626655,56.15943233,30.63903553,20.6128561,19.4120321,18.74389755,17.57466208,15.00234407,8.41008,173.7867107,217.6633782,145.8802673,108.6863765,104.3095617,102.2485832,98.64187085,90.70710369,86.85232572,7.017392,7.258593333,7.100367789,6.981565143,6.967826667,6.96254,6.953288333,6.932934667,6.984576,1.297080939,1.671996207,1.237246492,0.984162423,0.95456323,0.941518994,0.918691582,0.868471273,0.890567175,163.781908,144.3464838,155.659171,164.7113505,165.7556268,166.1448839,166.8260839,168.3247239,163.7209158,2.340909091,2.416666667,1.776315789,1.637755102,1.666666667,1.75,1.916666667,2.2,2.666666667,0.066170033,-0.006401259,-0.030620264,-0.003615239,0.0040653,3.84E-04,0.005059751,-6.45E-04,-0.009823631,616.3360458,-49.02673092,-250.1363822,-19.01036505,12.00654635,11.00600082,10.00545529,9.00490976,-80.04364231,1146.103196,-91.16729966,-465.139284,-35.35058558,22.32668563,20.46612849,18.60557136,16.74501422,-148.8445709,0.120736,-0.009604,-0.049,-0.003724,0.002352,0.002156,0.00196,0.001764,-0.01568,5.123614541,-0.407560248,-2.079389018,-0.158033565,0.099810673,0.091493117,0.083175561,0.074858005,-0.665404486,27.8315555,-2.213873733,-11.29527415,-0.858440835,0.542173159,0.496992063,0.451810966,0.406629869,-3.614487728,10.59090909,1.16322314,-0.929752066,-0.452479339,-0.537190083,-0.886363636,-0.73553719,-0.47107438,-2.842975207,0.003007729,-3.05E-04,-8.06E-04,-7.38E-05,9.68E-05,1.16E-05,2.11E-04,-4.30E-05,-0.001637272,28.01527481,-2.334606234,-6.582536375,-0.387966634,0.285870151,0.333515176,0.41689397,0.600327317,-13.34060705,52.0955998,-4.341299984,-12.24050747,-0.721440522,0.531587753,0.620185712,0.77523214,1.116334282,-24.80742848,0.005488,-4.57E-04,-0.001289474,-7.60E-05,5.60E-05,6.53E-05,8.17E-05,1.18E-04,-0.002613333,0.23289157,-0.019407631,-0.054720764,-0.003225175,0.002376445,0.002772519,0.003465648,0.004990534,-0.110900748,1.265070705,-0.105422559,-0.297244057,-0.017519201,0.012908885,0.015060366,0.018825457,0.027108658,-0.602414621,0.481404959,0.055391578,-0.02446716,-0.009234272,-0.01279024,-0.026859504,-0.030647383,-0.031404959,-0.473829201,-0.1013462,-0.267908605,-0.02453027,0.032181378,0.00386842,0.070093735,-0.014302925,-0.5443549,-0.083333333,-0.234962406,-0.013848397,0.010204082,0.011904762,0.014880952,0.021428571,-0.476190476,-0.083333333,-0.234962406,-0.013848397,0.010204082,0.011904762,0.014880952,0.021428571,-0.476190476,-0.083333333,-0.234962406,-0.013848397,0.010204082,0.011904762,0.014880952,0.021428571,-0.476190476,-0.083333333,-0.234962406,-0.013848397,0.010204082,0.011904762,0.014880952,0.021428571,-0.476190476,-0.083333333,-0.234962406,-0.013848397,0.010204082,0.011904762,0.014880952,0.021428571,-0.476190476,0.115062334,-0.050824486,-0.019181922,-0.026568567,-0.055793991,-0.063662375,-0.065236052,-0.984263233,1.126897613,1.017198099,0.694134128,0.786246664,0.911203435,1.039255213,1.568208123,3.053577917,1.375,1.302631579,0.926020408,0.883928571,0.875,0.859375,0.825,1.375,1.375,1.302631579,0.926020408,0.883928571,0.875,0.859375,0.825,1.375,1.375,1.302631579,0.926020408,0.883928571,0.875,0.859375,0.825,1.375,1.375,1.302631579,0.926020408,0.883928571,0.875,0.859375,0.825,1.375,1.375,1.302631579,0.926020408,0.883928571,0.875,0.859375,0.825,1.375,0.849785408,0.54788796,0.728387492,0.826180258,1.021459227,1.321888412,1.916738197,4.626609442,40.98770734,20.49385367,33.35390971,40.98770734,5.123463417,20.49385367,1.07E-14,0.072265229,0.009033154,-2.101929756,32.6354243,4.079428038,2.788318667,40.98770734,20.49385367,33.35390971,40.98770734,5.123463417,20.49385367,1.07E-14,0.072265229,0.009033154,-2.101929756,32.6354243,4.079428038,2.788318667,40.98770734,20.49385367,33.35390971,40.98770734,5.123463417,20.49385367,1.07E-14,0.072265229,0.009033154,-2.101929756,32.6354243,4.079428038,2.788318667,40.98770734,20.49385367,33.35390971,40.98770734,5.123463417,20.49385367,1.07E-14,0.072265229,0.009033154,-2.101929756,32.6354243,4.079428038,2.788318667,40.98770734,20.49385367,33.35390971,40.98770734,5.123463417,20.49385367,1.07E-14,0.072265229,0.009033154,-2.101929756,32.6354243,4.079428038,2.788318667,40.98770734,20.49385367,33.35390971,40.98770734,5.123463417,20.49385367,1.07E-14,0.072265229,0.009033154,-2.101929756,32.6354243,4.079428038,2.788318667,66.08619873,32.34516094,53.85219756,65.60286539,8.200358174,32.34516094,-0.966666667,0.130289162,0.016286145,-1.630399181,33.42189358,4.177736698,2.807368945,0,11.69,12.31003934,-0.42298357,0.197214494,4.303055109,7.105963639,7,21,20,20,6,0,0,1,0,1,15.304898,3.501656631,3.262054573,2.855034817,2.340964818,1.818129763,1.394676134,1.1387503,0.309280163,1.89553741,1.681014114,1.383208254,1.082583786,0.828492947,0.637263069,0.524986126,0.083923071,3.526363255,3.288099724,2.891722952,2.3959536,1.89703543,1.498791624,1.261553679,0.443798515,1.83565292,1.615221419,1.307157659,0.985681691,0.703285697,0.491352246,0.368569834,0.270913902,3.639331989,3.405843108,3.050937162,2.631482646,2.228123674,1.920436488,1.743536691,0.956385838,1.662555825,1.430127078,1.082268459,0.676798203,0.290425354,0.002719486,0.170806825,0.943918427,3.544827076,3.307430318,2.918652159,2.436221305,1.954469589,1.573667286,1.348843628,0.538809313,1.79772084,1.57398301,1.258737904,0.921935964,0.619749297,0.393164647,0.262688294,0.399277246,3.696284651,3.465588269,3.127129879,2.740849708,2.377714939,2.103799317,1.94702925,1.207644823,1.610136364,1.375422734,1.010955214,0.573055757,0.147120341,0.180577452,0.369975265,1.16125544,3.790990452,3.301858396,2.939052712,2.441938427,1.946032126,1.568336393,1.354386427,0.692360567,1.919368775,1.603310724,1.189891974,0.79128148,0.493474731,0.318775731,0.218852085,0.5,1,1,0,0,0,1,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.612884175,3.349335306,2.014784317,1.174667653,0.653838768,0.337333827,0.139419384,0.051031036,0.701610522,0.478476472,0.335797386,0.234933531,0.163459692,0.112444609,0.069709692,0.051031036,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.66959,36.947,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,1,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,6,1,0,0,0,0,0,0,0,0,0,0,1,0,5,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561288974,0,0,7.687335601,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561288974,0,0,0,0,1.594609552,0.380555556,0,0,0,0,0,0,0,0,0,0,2.204240363,0,6.108424036,5.06074263,0,0,0,0,2.626592971,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561288974,0,0,2.626592971,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561288974,0,0,0,0,0.218016582,0.380555556,0,0,0,0,0,0,0,0,0,0,2.204240363,0,0.958333333,5.06074263,0,0,0,0,2.626592971,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561288974,0,0,5.06074263,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561288974,0,0,0,0,0.380555556,0.380555556,0,0,0,0,0,0,0,0,0,0,2.204240363,0,1.335,5.06074263,0,0,0,0,2.626592971,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,2,0.561288974,5.06074263,0.218016582,0.958333333,4.847287687,0.541666667,1.06074263,2.783151927,0.541666667,1.06074263,2.783151927,4,0.5,0,0,0.44545,0.7,0.42308,0.42308,0.7,0.02238,0.02238,0,0,0.71429,0,0,0.25,0,0,5.5,0.6875,3.5,0.4375,2,0.25,-1.5,-0.1875,0,0,6.25508,0.78188,7.95768,1.7026,0.21283,3.17836,0.3973,3.91421,0.73585,0.09198,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,1,0.945660305,1.909171785,2.970573096,3.390805482,3.11353887,2.895505621,20.8045267,42.00177927,65.35260811,74.59772061,68.49785514,63.70112365,0.212058483,0.428119982,0.666132671,0.760367188,0.698191863,0.649299253,3.513771314,2.550259833,1.488858523,1.068626137,1.345892749,1.563925998,0.209052139,0.422050544,0.656688938,0.749587497,0.688293628,0.640094167,6.786633838,15.75199389,19.8195666,18.86662344,15.96649656,18.36744784,31.28312609,21.63003896,17.32440458,18.19081909,22.08604088,19.43655014,8,7,7.2,8,2,8,2.34,1.1498,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.085,0.106,0.096,0.236,0.184,3.278,6,5,4,3,2,1,0,0,0,36,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,0,0,0,3.931825633,1.388888889,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,5,0.714285714,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,141.6514183,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,110.1095504,5.004979566,14.83110795,1.853888494,0,0,0,84,5,3.757,26,1.231238095,2.147854781,2.901329138,3.673667757,4.975630376,6.054506166,7.351678726,8.804398433,9.691616274,0,79.70770648,74.17536608,72.02381284,90.81492161,109.8526505,124.0809616,122.5762112,74.86910971,9.847302398,0,292.6733596,336.8430026,347.495688,446.5662818,560.0132218,654.9118249,709.8567202,770.8929973,301.2517234,0,8.970853788,15.30229913,20.31766333,25.77201657,34.77484566,42.25849982,51.09812682,61.52462483,65.11277504,0,2.192520915,2.799766238,3.043324385,3.916871522,5.009342412,5.936235431,6.671353127,7.890570727,4.309017664,0,175.620724,330.6353515,473.5971949,595.9238046,816.9653639,998.1317097,1227.691424,1439.103658,1792.150926,0,3.030547619,3.966364773,4.955395511,6.563890727,9.143904942,12.21867053,16.91505556,23.50671583,9.691616274,0,0.453629643,0.590642631,0.649284717,0.835472457,1.072492148,1.273749112,1.440312963,1.71944285,0.992421506,0,385.3307707,190.7938327,15.2888325,214.5427003,-106.2293156,-17.412782,170.7880704,297.0231483,32.70161451,0.642353412,0.318056793,0.025486762,0.357646588,-0.177086204,-0.029027425,231.1497068,114.4521586,9.171365019,128.6984743,-63.72414827,-10.44546598,0.249058451,0.241647419,12.81552284,11.54361843,599.8734709,0,1,0,475.0763511,21.79624626,7.802871785,611.1079801,24.7205983,8.48605779,705.7968942,26.56683824,8.9034826,2.816948797,2.816948797,912.5979228,881.837284,50.77765269,1.034882443,17.97243225,17.36664137,4.43367814,5.645455692,10.0483478,0.779900216,4.081736643,5.656828977,2.379319309,19.78143002,7.876493693,2.604267173,3.530276234,7.228041612,8.944197005,0.632761025,4.868511948,4.926257734,3.791462088,2.176761048,1.727059559,1.758529162,1.838471724,0.282775253,1.583117746,2.77E-09,9.32E-40,6.06E-92,7.60E-166,1.84E-261,0,0,0,0,0,0,0.352785717,5.656557618,0.173233238,4.853890686,0.05874647,1.129130348,0.472320222,0.263443287,3.386946845,0.023210782,1.098361112,0.267905502,0.137359549,0.699145326,0.144940147,0.661177082,0.080993355,0.023731368,0.011150028,1.95E-11,6.57E-42,4.27E-94,5.35E-168,1.29E-263,0,0,0,0,0,0,1.113944099,5.656576268,0.576644386,5.929233404,0.586429744,1.420567081,1.096197947,1.076542382,4.20431797,0.094624231,1.72055741,0.946926396,0.562536758,1.000746678,0.467884449,0.745234566,0.309753798,0.076607747,0.116191886,2.03E-10,6.84E-41,4.45E-93,5.58E-167,1.35E-262,0,0,0,0,0,0,3.853452939,5.656799367,2.227673324,18.17005946,7.020043505,2.510539378,3.342958465,6.586398294,8.491848362,0.576692056,4.585570731,4.544905893,3.454306443,2.086298397,1.630203342,1.64184552,1.68489812,0.266916772,1.41052941,2.46E-09,8.31E-40,5.40E-92,6.77E-166,1.64E-261,0,0,0,0,0,0,1.636455467,5.65659998,0.867498494,7.252856947,1.265804494,1.623500527,1.52456436,1.815392764,4.859536173,0.15938672,2.191433419,1.493770283,0.949630948,1.207789971,0.689575587,0.844487132,0.505383936,0.112905724,0.252384302,4.41E-10,1.49E-40,9.66E-93,1.21E-166,2.93E-262,0,0,0,0,0,0,4.926968446,5.656953365,2.959633945,26.53958844,11.4765673,2.955183273,4.223956666,9.848187287,10.74636444,0.861651509,5.975311619,6.447426739,5.168616301,2.511708152,2.085674534,2.246764848,2.45929481,0.341492071,2.308828448,4.03E-09,1.36E-39,8.84E-92,1.11E-165,2.68E-261,0,0,0,0,0,0,1.937014426,3.702928897,1.015146714,7.00265839,1.985728105,3.049940358,1.68433172,2.152574604,5.048444705,0.190464846,3.873864663,2.091420171,1.137672353,2.331210913,1.231924063,1.582175708,1.123426881,0.141387678,0.395779436,6.92E-10,2.33E-40,1.51E-92,1.90E-166,4.59E-262,0,0,0,0,0,0,8.007726908,0.85559955,0.451399916,0.85968461,0.091854502,0.473274766,0.608600576,0.545442758,9.314726373,10.85231236,23.25976351,0.789526915,1.6273181,8.199070434,0.370227733,0.090837065,0.946760093,0.042750803,0.494339694,0.111896163,0.022087798,8.660135232,3.813933155,12.74980641,0.920140139,0.628323655,8.125789893,0.555473569,0.228138568,0.912046607,0.062346897,0.486139434,0.2539576,0.139323268,8.909402031,6.494192529,16.43333483,0.868069911,0.879420302,8.012744724,0.842797073,0.441853694,0.861826813,0.090648728,0.473812134,0.590332708,0.522616615,9.297395491,10.66597166,22.9472572,0.792740219,1.586761456,8.091994754,0.641159572,0.291771621,0.896627274,0.071043195,0.482411377,0.339480163,0.227883209,9.024925947,7.736346485,18.27505943,0.844940912,1.049774749,7.991921195,0.895955676,0.48150575,0.85298269,0.095625903,0.471587885,0.667998804,0.620624889,9.369382621,11.43997098,24.25713082,0.779474035,1.760211578,8.148195758,0.842513041,0.440715894,0.863941135,0.089330411,0.48957452,0.588410782,0.519928542,9.431424694,10.82730946,23.28423166,0.795911703,1.597913844 +UMLS0156,L,1-octyne,CCCCCCC#C,12370,,"Sandia, UML",[1],C8H14,PubChem,,-1,0,0.6706,0.44970436,24.8614,15.46793,0,0,15,5,10,0,5,0,0,0,0,0,0,0,0,0,731.481245,698.127364,609.404043,433.898978,261.356425,81.787104,9.144576,0,0,2428.421953,2841.433771,3094.449545,2482.141517,1704.816405,968.1733981,279.7536999,0,0,104.88722,101.338384,169.297644,173.996552,125.346916,103.171968,60.466176,0,0,18.39062905,22.2910431,27.06861067,23.16214227,16.36770203,10.682782,4.001516144,0,0,2483.148301,2038.402901,3818.5223,4156.948561,2984.238502,2582.994154,1664.258868,0,0,28.25,33,44,40.5,28.5,21,9,0,0,48.76541633,49.86624029,25.39183512,17.35595912,14.51980139,5.4524736,1.016064,0,0,161.8947969,202.9595551,128.9353977,99.28566067,94.71202247,64.54489321,31.08374443,0,0,6.992481333,7.238456,7.0540685,6.95986208,6.963717556,6.8781312,6.718464,0,0,1.226041937,1.592217364,1.127858778,0.926485691,0.909316779,0.712185467,0.444612905,0,0,165.54322,145.6002072,159.1050959,166.2779425,165.7910279,172.1996103,184.917652,0,0,1.883333333,2.357142857,1.833333333,1.62,1.583333333,1.4,1,0,0,0.035677486,-0.002641695,-0.016378695,-0.004296719,-8.24E-04,6.12E-04,0.005690203,0,0,403.5533633,-53.80711511,-121.066009,-26.90355756,-80.71067267,-40.35533633,121.066009,0,0,750.4247115,-100.0566282,-225.1274134,-50.0283141,-150.0849423,-75.04247115,225.1274134,0,0,0.079053333,-0.010540444,-0.023716,-0.005270222,-0.015810667,-0.007905333,0.023716,0,0,3.354747616,-0.447299682,-1.006424285,-0.223649841,-0.670949523,-0.335474762,1.006424285,0,0,18.22304229,-2.429738973,-5.466912688,-1.214869486,-3.644608459,-1.822304229,5.466912688,0,0,2.9,-0.54,-0.59,-0.45,-0.23,-0.45,0.81,0,0,0.002378499,-1.89E-04,-6.82E-04,-1.72E-04,-4.58E-05,4.08E-05,6.32E-04,0,0,26.90355756,-3.843365365,-5.044417042,-1.076142302,-4.483926259,-2.690355756,13.45177878,0,0,50.0283141,-7.146902014,-9.380308893,-2.001132564,-8.33805235,-5.00283141,25.01415705,0,0,0.005270222,-7.53E-04,-9.88E-04,-2.11E-04,-8.78E-04,-5.27E-04,0.002635111,0,0,0.223649841,-0.031949977,-0.041934345,-0.008945994,-0.037274974,-0.022364984,0.111824921,0,0,1.214869486,-0.173552784,-0.227788029,-0.048594779,-0.202478248,-0.121486949,0.607434743,0,0,0.193333333,-0.038571429,-0.024583333,-0.018,-0.012777778,-0.03,0.09,0,0,-0.07933258,-0.286922799,-0.072259331,-0.019235535,0.017145061,0.2658167,0,0,-0.142857143,-0.1875,-0.04,-0.166666667,-0.1,0.5,0,0,-0.142857143,-0.1875,-0.04,-0.166666667,-0.1,0.5,0,0,-0.142857143,-0.1875,-0.04,-0.166666667,-0.1,0.5,0,0,-0.142857143,-0.1875,-0.04,-0.166666667,-0.1,0.5,0,0,-0.142857143,-0.1875,-0.04,-0.166666667,-0.1,0.5,0,0,-0.199507389,-0.127155172,-0.093103448,-0.066091954,-0.155172414,0.465517241,0,0,1.337986366,1.358792279,1.146198357,0.930831122,0.548025991,0.002985243,0,0,1.5,1.225,0.924,1.05,0.84,0,0,0,1.5,1.225,0.924,1.05,0.84,0,0,0,1.5,1.225,0.924,1.05,0.84,0,0,0,1.5,1.225,0.924,1.05,0.84,0,0,0,1.5,1.225,0.924,1.05,0.84,0,0,0,1.551724138,1.131465517,1.013793103,0.905172414,0.965517241,0,0,0,14.2225601,7.11128005,11.47798804,14.2225601,2.84451202,7.113216241,8.88E-16,0.074413151,0.01488263,-1.299061297,13.93540046,2.787080092,1.317216199,14.2225601,7.11128005,11.47798804,14.2225601,2.84451202,7.113216241,8.88E-16,0.074413151,0.01488263,-1.299061297,13.93540046,2.787080092,1.317216199,14.2225601,7.11128005,11.47798804,14.2225601,2.84451202,7.113216241,8.88E-16,0.074413151,0.01488263,-1.299061297,13.93540046,2.787080092,1.317216199,14.2225601,7.11128005,11.47798804,14.2225601,2.84451202,7.113216241,8.88E-16,0.074413151,0.01488263,-1.299061297,13.93540046,2.787080092,1.317216199,14.2225601,7.11128005,11.47798804,14.2225601,2.84451202,7.113216241,8.88E-16,0.074413151,0.01488263,-1.299061297,13.93540046,2.787080092,1.317216199,14.2225601,7.11128005,11.47798804,14.2225601,2.84451202,7.113216241,8.88E-16,0.074413151,0.01488263,-1.299061297,13.93540046,2.787080092,1.317216199,15.42893944,7.681136385,12.54644955,15.38893944,3.077787887,7.682210514,-0.066666667,0.151243532,0.030248706,-0.944431973,11.81221972,2.362443945,1.234567283,0,11.89,12.11005553,-0.181130783,0.043329537,5.054174008,6.416011099,4,14,13,13,3,1,1,0,0,1,10.93207,3.448329577,2.862373862,2.172895786,1.52330503,0.767959749,0.083923071,0.083923071,0.083923071,1.833187916,1.519753191,1.055710453,0.681364208,0.265232884,0.083923071,0.083923071,0.083923071,3.47278425,2.909324143,2.240736077,1.61891892,0.902166257,0.270913902,0.270913902,0.270913902,1.774189855,1.429849346,0.943252315,0.543299832,0.098768791,0.270913902,0.270913902,0.270913902,3.583041041,3.112420136,2.525989906,2.008465192,1.42701276,0.943918427,0.943918427,0.943918427,1.60556859,1.152089292,0.580018235,0.079944465,0.48028368,0.943918427,0.943918427,0.943918427,3.490948608,2.943774431,2.290097699,1.687796699,0.997522863,0.399277246,0.399277246,0.399277246,1.737030022,1.371402055,0.868890639,0.450702758,0.014271401,0.399277246,0.399277246,0.399277246,3.638286161,3.208589915,2.656006732,2.179289856,1.646913201,1.207644823,1.207644823,1.207644823,1.554691428,1.061606369,0.455962058,0.085257474,0.696140631,1.207644823,1.207644823,1.207644823,3.511975245,2.978384154,2.368755473,1.725044972,1.103367364,0.526315789,0.526315789,0.526315789,1.71646362,1.308867909,0.781238289,0.380314046,0.130935602,0.526315789,0.526315789,0.526315789,0,0,0,2,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,3.86180732,2.026038674,0.977283884,0.471404521,0.23570226,0,0,0,0.772361464,0.506509669,0.325761295,0.23570226,0.23570226,0,0,0,7.709139019,14.43918427,13.62745098,13.8,8.992772455,115.1412754,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.89869,24.835,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,2,0,2,0,0,0,0,0,0,0,0,2,0,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.676041667,0,0,0.533680556,0.580555556,0,0.676041667,0,0,0,0,0,0,0,0,4.15625,0,1.163194444,0,4.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331944444,0,0,0.243402778,0.290277778,0,0.331944444,0,0,0,0,0,0,0,0,2.03125,0,1.163194444,0,2.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.344097222,0,0,0.290277778,0.290277778,0,0.344097222,0,0,0,0,0,0,0,0,2.125,0,1.163194444,0,2.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.5,1.9,0.344097222,2.125,0.243402778,1.163194444,3.526715278,0.336805556,0.125,0.673611111,0.336805556,0.125,0.673611111,2.5,0.5,0,0,0.43333,0.7,0.41765,0.41765,0.7,0.01569,0.01569,0,0,0.71429,0,0,0.4,0,0,3,0.6,2,0.4,1,0.2,-1,-0.2,0,0,3.13981,0.62796,4.09272,0.95292,0.19058,1.81066,0.36213,2.41421,0.60355,0.12071,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4,0,0,0,0,0,0,0.6,0.918295834,2.040223929,3.006238929,3.006238929,2.555462691,1.78074227,13.77443751,30.60335893,45.09358393,45.09358393,38.33194036,26.71113405,0.235045188,0.522211687,0.769470978,0.769470978,0.654091183,0.455795274,2.988594762,1.866666667,0.900651667,0.900651667,1.351427905,2.126148326,0.235045188,0.522211687,0.769470978,0.769470978,0.654091183,0.455795274,6.73287657,14.90564042,17.34483785,15.87921452,14.02751927,6.055083307,19.74937501,13.98386437,12.15043656,13.42169695,10.80670472,8.830495524,5,4,4,5,2,5,2.01,0.7701,0.25,3.301927249,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,2.209,3,2,1,0,0,0,0,0,0,15,1.791759469,1.791759469,1.609437912,1.098612289,0,0,0,0,0,0,3.091042453,1.4,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,3,0.75,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,0,92.39992313,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,70.07825032,4.671883355,8.849873734,1.769974747,0,0,0,20,2,2.774,14,1.199422389,2.084412556,2.903428732,3.734646219,4.979588367,5.773481228,0,0,0,0,69.80323523,60.73299123,60.90224144,67.12913601,28.95428803,5.86622643,0,0,0,0,266.7814784,292.2280802,316.4619052,403.617679,335.0075491,179.461415,0,0,0,0,8.713940952,14.76154174,20.26399591,26.17273726,34.31516011,38.78892578,0,0,0,0,2.036416788,2.497782843,2.856494603,3.740308129,3.655147459,2.56696426,0,0,0,0,172.6454426,327.4030314,478.8193051,606.4779673,852.3138271,1067.618593,0,0,0,0,2.941348586,3.989541273,4.879032442,6.339152092,7.134006891,5.773481228,0,0,0,0,0.422764187,0.529703368,0.612574377,0.804137903,0.806357838,0.591204478,0,0,0,0,280.5296941,91.38257319,8.52059716,108.3720529,-35.30220603,-6.400569864,172.1576412,126.6847792,14.92116702,0.72133822,0.23497599,0.021909383,0.27866178,-0.0907741,-0.016458064,109.0984881,35.53884236,3.313675121,42.14608071,-13.7290896,-2.489192802,0.174607508,0.279480216,2.954946928,2.733464801,388.901747,0,1,0,270.7901045,16.45570128,6.46960248,371.1361407,19.264894,7.186394966,365.5794523,19.12013212,7.150349322,1.924820107,1.924820107,260.3217341,244.5996628,25.24869065,1.06427675,10.31030629,9.687617714,3.241125125,3.442976821,6.561715238,0.905826144,4.169276573,3.035832341,1.943174019,9.91223042,3.752123004,2.444485995,2.143075155,4.165729036,4.770403057,0.70123482,2.343440939,1.366822933,9.07E-09,1.16E-38,2.87E-90,1.37E-163,1.26E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0.349906205,3.03190539,0.159879605,3.084592906,0.034820129,0.073445292,0.474748954,0.197415274,1.082615063,0.028513784,0.067271977,0.009626646,6.39E-11,8.18E-41,2.02E-92,9.63E-166,8.85E-261,0,0,0,0,0,0,0,0,0,0,0,0,0,1.129521123,3.032167883,0.518217795,3.613025456,0.296949432,0.32277697,0.815286261,0.737559932,1.517736746,0.112035223,0.302425369,0.10031707,6.66E-10,8.53E-40,2.11E-91,1.00E-164,9.22E-260,0,0,0,0,0,0,0,0,0,0,0,0,0,3.935457456,3.035401227,1.831996077,9.188156278,3.34885355,2.216321794,2.040940133,3.82731966,4.432270766,0.641020336,2.122919728,1.217814625,8.09E-09,1.04E-38,2.56E-90,1.22E-163,1.12E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,1.664702324,3.03250814,0.765889333,4.232683669,0.624359082,0.563607281,1.049055527,1.188483121,1.910746388,0.185343,0.531982587,0.217902081,1.45E-09,1.85E-39,4.58E-91,2.18E-164,2.00E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,5.03500352,3.0376451,2.357093485,12.94069448,5.444741111,3.383527849,2.52123663,5.527107978,6.14994079,0.9457902,3.252100725,1.993382791,1.32E-08,1.69E-38,4.19E-90,1.99E-163,1.83E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,2.199755082,2.819027145,1.03875832,5.112985023,1.069545157,0.877887458,1.257161499,1.483313683,2.518435875,0.279191323,0.832072278,0.378621311,2.51E-09,3.22E-39,7.95E-91,3.79E-164,3.48E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,4.593372981,0.780053951,0.315088399,0.807481867,0.137127863,0.615921408,0.49347625,0.399999003,5.688515332,5.276183235,12.09368511,0.711222801,1.509396662,3.42606499,0.294793493,0.06792809,0.904264446,0.077806835,0.342659433,0.070385121,0.018590578,3.788786573,1.262732477,5.120125176,0.856396668,0.431635133,3.889652602,0.487552428,0.166092143,0.85612991,0.107312467,0.441654705,0.192653038,0.111145595,4.543297173,2.623428934,7.481704837,0.784194866,0.745453339,4.564471083,0.768042911,0.308969406,0.809090581,0.136142014,0.608194528,0.478386577,0.384613955,5.6414834,5.153293342,11.87793377,0.713635872,1.471195061,4.096306116,0.573459585,0.209847901,0.83947346,0.117521515,0.489829152,0.266586482,0.177420313,4.879613603,3.329006538,8.701566712,0.759210191,0.933835946,4.683857812,0.817656608,0.334245332,0.8026132,0.140111424,0.640427974,0.542232702,0.450116345,5.835759753,5.668642808,12.78449109,0.703919801,1.632777021,4.566555253,0.766896321,0.30861398,0.809376497,0.135924745,0.608748798,0.476921021,0.383729575,5.642065555,5.148052144,11.87090683,0.714064745,1.469399393 +UMLS0157,L,2-Pentene,CCC=CC,12585,Sandia values from biocompoundML paper,Sandia,,C5H10,PubChem,,10.6,0,1.4802,2.19099204,30.3189,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,924.178589,686.110827,453.118514,154.429632,18.289152,0,0,2914.106344,3494.423905,4233.124071,3907.204221,2814.464344,1656.593096,559.5073998,0,0,125.864664,123.114164,212.050868,238.877292,228.143432,145.87776,120.932352,0,0,22.06875486,27.30703172,35.7627251,35.52832815,27.38797691,17.36404786,8.003032287,0,0,2979.777961,2471.442353,4748.191412,5476.928195,5604.494673,3501.729441,3328.517736,0,0,33.77777778,39.33333333,55,61,49,33,18,0,0,48.76541633,50.97680359,30.80595297,20.17973021,13.73086406,7.353792,1.016064,0,0,161.8947969,205.5543474,141.1041357,114.9177712,85.28679831,78.88538554,31.08374443,0,0,6.992481333,7.242009647,7.068362267,7.025802706,6.913437333,6.94656,6.718464,0,0,1.226041937,1.606295984,1.192090837,1.044950828,0.829938694,0.826859422,0.444612905,0,0,165.54322,145.3789619,158.2730471,161.0861234,169.8331719,166.749021,184.917652,0,0,1.87654321,2.31372549,1.833333333,1.794117647,1.484848485,1.571428571,1,0,0,0.038739543,-0.005318411,-0.006860597,-0.014913254,0.001730692,-0.005514603,0.011506402,0,0,484.264036,-53.80711511,-40.35533633,-228.6802392,40.35533633,-201.7766817,242.132018,0,0,900.5096538,-100.0566282,-75.04247115,-425.2406698,75.04247115,-375.2123557,450.2548269,0,0,0.094864,-0.010540444,-0.007905333,-0.044796889,0.007905333,-0.039526667,0.047432,0,0,4.025697139,-0.447299682,-0.335474762,-1.901023649,0.335474762,-1.677373808,2.01284857,0,0,21.86765075,-2.429738973,-1.822304229,-10.32639063,1.822304229,-9.111521147,10.93382538,0,0,3.530864198,-1.235939643,0.843621399,-1.990397805,0.748971193,-1.711934156,1.580246914,0,0,0.002152197,-3.13E-04,-2.29E-04,-4.39E-04,5.24E-05,-2.63E-04,6.39E-04,0,0,26.90355756,-3.165124418,-1.345177878,-6.725889389,1.22288898,-9.608413413,13.45177878,0,0,50.0283141,-5.885684011,-2.501415705,-12.50707852,2.274014277,-17.86725503,25.01415705,0,0,0.005270222,-6.20E-04,-2.64E-04,-0.001317556,2.40E-04,-0.001882222,0.002635111,0,0,0.223649841,-0.026311746,-0.011182492,-0.05591246,0.010165902,-0.079874943,0.111824921,0,0,1.214869486,-0.142925822,-0.060743474,-0.303717372,0.05522134,-0.433881959,0.607434743,0,0,0.196159122,-0.072702332,0.028120713,-0.058541112,0.022696097,-0.081520674,0.087791495,0,0,-0.145362031,-0.106257271,-0.203803444,0.024368221,-0.122014924,0.297019547,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.370629371,0.143356643,-0.298436857,0.115702479,-0.415584416,0.447552448,0,0,1.427202771,1.144646009,1.403409204,0.873431703,0.847932943,0.002912317,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.762237762,0.82027972,1.384615385,0.68086459,1.375624376,0,0,0,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,23.34439958,11.60275535,17.78940131,23.25180699,3.875301165,11.60277715,-0.138888889,0.120260574,0.020043429,-1.270856665,14.94631712,2.491052853,1.622678954,0,11.89,12.11007471,-0.154954146,0.067228264,5.295743165,7.50302765,5,17,16,16,4,1,1,0,0,1,13.118484,3.517606619,2.973446727,2.333552793,2.144218941,1.212755647,0.714238454,0.083923071,0.083923071,1.876614671,1.562795977,1.249629723,1.006105503,0.454457131,0.242677753,0.083923071,0.083923071,3.540212065,3.013827555,2.405454588,2.210649939,1.314575117,0.85296352,0.270913902,0.270913902,1.821017008,1.479346258,1.134540686,0.896768592,0.306288247,0.074238581,0.270913902,0.270913902,3.642387894,3.191621124,2.704236987,2.48977734,1.731762504,1.391492478,0.943918427,0.943918427,1.66333078,1.226940148,0.76031856,0.542581238,0.191473927,0.513929033,0.943918427,0.943918427,3.557013739,3.043627675,2.457539916,2.258979998,1.388112991,0.95125216,0.399277246,0.399277246,1.786115895,1.425528926,1.058262671,0.824386046,0.206853942,0.040284473,0.399277246,0.399277246,3.693794691,3.277571518,2.838982085,2.616800193,1.915254049,1.615628258,1.207644823,1.207644823,1.616067843,1.146660394,0.631337262,0.421299785,0.368828517,0.734374911,1.207644823,1.207644823,3.556782529,3.083747819,2.546278942,2.343749412,1.420038507,1.048111874,0.529411765,0.529411765,1.788931672,1.355414829,0.958043648,0.730094412,0.145135207,0.155381273,0.529411765,0.529411765,0,0,0,2,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.333333333,0,0,0,0.288675135,0.288675135,0,0.19245009,0.19245009,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.732050808,2.398717474,1.769800359,0.577350269,0.384900179,0,0,0,0.788675135,0.479743495,0.353960072,0.19245009,0.19245009,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,2,0,2,0,0,0,0,0,0,0,0,3,0,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.240740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.632638889,0,0,0.777083333,0.580555556,0,0.632638889,0,0,0,0,0,0,0,0,6.375,0,0,0,4.240740741,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.074074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.243402778,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.041666667,0,0,0,2.074074074,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.328472222,0,0,0.290277778,0.290277778,0,0.328472222,0,0,0,0,0,0,0,0,2.166666667,0,0,0,2.166666667,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.33333333,1.888888889,0.328472222,2.166666667,0.243402778,0.717592593,4.246384259,0.615740741,0.166666667,1.231481481,0.615740741,0.166666667,1.231481481,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.61349,0.76891,5.69868,1.0852,0.18087,2.19337,0.36556,2.77005,0.57668,0.09611,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.99107606,2.821888196,2.821888196,2.521052779,2.006349306,16.52932501,35.83936908,50.79398752,50.79398752,45.37895002,36.11428751,0.220218789,0.477484861,0.676723969,0.676723969,0.604579885,0.481147576,3.251629167,2.178848942,1.348036806,1.348036806,1.648872223,2.163575695,0.220218789,0.477484861,0.676723969,0.676723969,0.604579885,0.481147576,6.73287657,14.84279915,16.90146519,15.68011242,14.051801,8.440120483,23.69925001,16.64860504,15.1849632,16.39047709,13.9585639,10.54227292,6,3.2,5.333333333,6,2,5,2.12,0.911,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,2.48,5,3,2,0,0,0,0,0,0,21,1.945910149,2.079441542,1.945910149,1.609437912,0,0,0,0,0,0,3.401197382,1.380952381,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,109.6959078,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,84.09390038,4.671883355,10.67917749,1.779862916,0,0,0,32,3,3.278,20,1.207777307,2.100347399,2.947993387,3.63906745,4.735679952,5.494114911,0,0,0,0,72.17680264,74.6609702,67.65306525,60.72704257,37.25717536,5.582372373,0,0,0,0,273.0495085,325.3187108,361.4276531,346.3148855,391.9188146,170.7776638,0,0,0,0,8.780679587,14.91368779,20.7606745,25.2609901,32.98421197,36.91201324,0,0,0,0,2.074527764,2.682059372,3.21672964,3.255527663,4.062420661,2.44275439,0,0,0,0,173.472061,327.5315904,471.4214515,610.3511637,782.6981651,1015.958829,0,0,0,0,2.88508613,4.051417023,5.430845018,5.67669555,7.661056495,5.494114911,0,0,0,0,0.43031469,0.565457773,0.686937878,0.703154173,0.887465439,0.562597367,0,0,0,0,300.1519509,111.1185936,9.133708802,81.57780189,-30.20073862,-5.141604136,218.574149,141.3193322,14.27531294,0.786294358,0.291092305,0.02392716,0.213705642,-0.079115496,-0.013469226,114.57693,42.41727327,3.486608403,31.14067415,-11.52852049,-1.962703276,0.154365035,0.245231668,2.369920309,3.724995142,381.7297528,0,1,0,330.8250228,18.18859595,6.916177283,451.1312039,21.23984943,7.669510079,493.4562039,22.21387413,7.902227668,1.787320262,1.69008845,328.4475181,281.4177239,70.50839399,1.167117386,4.658275413,3.99126555,3.73606158,3.460904461,6.770737121,0.95634904,4.956886367,3.899845754,1.928852211,11.8606887,5.942461605,5.122209536,2.495709049,6.343598514,6.27831563,1.19021386,3.699169865,7.12E-04,0.005215362,8.00E-24,2.37E-66,1.35E-130,1.49E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,0.416003953,3.894174968,0.157875328,5.046897651,0.617980923,0.348801239,0.546311837,1.013529663,1.154299003,0.080834614,0.096769751,5.02E-06,3.67E-05,5.64E-26,1.67E-68,9.52E-133,1.05E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,1.342894862,3.894554008,0.512276433,5.555414495,1.116563988,1.178817129,0.914350431,1.480033399,1.769537681,0.273497754,0.453181721,5.23E-05,3.83E-04,5.87E-25,1.74E-67,9.92E-132,1.09E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,4.678896799,3.89922319,1.817924995,11.13141658,5.408394889,4.778922718,2.365799585,5.79743756,5.812265853,1.110346509,3.344586045,6.35E-04,0.004646794,7.13E-24,2.11E-66,1.20E-130,1.33E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,1.979176413,3.895045357,0.757667749,6.166475381,1.6334913,1.791454107,1.175867875,1.98480296,2.319758253,0.41578637,0.810354981,1.14E-04,8.31E-04,1.28E-24,3.77E-67,2.15E-131,2.37E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,5.986156611,3.902463531,2.342414862,14.91526289,8.156158805,6.451223386,2.988705355,8.615418895,8.176882826,1.499497253,5.164234984,0.001038596,0.007606115,1.17E-23,3.45E-66,1.97E-130,2.17E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,2.706896014,3.314548029,1.019869007,7.251544667,2.397465211,2.574735637,1.412454041,2.759382075,3.166446059,0.59772273,1.294597394,2.00E-04,0.001461745,2.24E-24,6.64E-67,3.79E-131,4.17E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,4.251478662,1.293632416,0.465437426,0.70733622,0.215227016,0.554072354,0.489194233,0.315754234,6.010548505,8.080752843,16.65113766,0.561004331,1.359020821,3.210626717,0.69906417,0.141864596,0.792442984,0.172542169,0.316093593,0.141782027,0.02917771,4.051555483,2.799080819,7.169042039,0.688664476,0.48705333,3.623998155,0.934385429,0.271220341,0.75037171,0.193470405,0.402661147,0.253835933,0.107126468,4.829603924,4.622537418,10.37055066,0.625557565,0.763623548,4.225708199,1.278845586,0.457495572,0.708767732,0.214497652,0.547378936,0.477963399,0.305081162,5.962049357,7.922337258,16.35670562,0.563151598,1.330423498,3.808264592,1.039683398,0.328464149,0.735695785,0.200850197,0.444623003,0.314736799,0.157233679,5.176412139,5.551766582,12.02869621,0.603543678,0.91659348,4.332159599,1.339940383,0.490286405,0.70300032,0.217438554,0.575290887,0.525225896,0.350323285,6.162386387,8.585789101,17.59420746,0.554500479,1.450840067,4.229388051,1.279451014,0.456817366,0.708956022,0.214469443,0.548342653,0.478395599,0.304124891,5.965656432,7.927828185,16.36545807,0.563434033,1.330863143 +UMLS0158,L,4-methyl-2-pentene,CC=CC(C)C,12659,[9] has RON of 98.9,UML,[1],C6H12,PubChem,,15,0,1.3428,1.80311184,29.2804,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,935.269613,711.341067,448.123874,129.199392,12.192768,0,0,2914.106344,3494.423905,4316.776942,4167.761199,2917.313939,1396.036119,373.0049332,0,0,125.864664,123.114164,212.450036,259.83102,268.055048,124.924032,80.621568,0,0,22.06875486,27.30703172,36.43165651,38.20002968,29.38672294,14.69234634,5.335354858,0,0,2979.777961,2471.442353,4716.396308,5968.090942,6745.79569,3010.566693,2219.011824,0,0,37.02777778,40.66666667,53.83333333,65.33333333,59.66666667,34,12,0,0,48.76541633,50.97680359,31.17565377,19.22543424,11.49035574,7.177744,1.016064,0,0,161.8947969,205.5543474,143.8925647,112.6421946,74.80292151,77.55756218,31.08374443,0,0,6.992481333,7.242009647,7.081667867,7.02246,6.873206359,6.940224,6.718464,0,0,1.226041937,1.606295984,1.21438855,1.032433235,0.753505716,0.816241463,0.444612905,0,0,165.54322,145.3789619,157.2132103,161.2997552,172.9691202,167.2537052,184.917652,0,0,2.057098765,2.392156863,1.794444444,1.765765766,1.52991453,1.888888889,1,0,0,0.044427613,-0.008965497,-0.014090422,-0.004657831,0.007177535,-0.016508382,0.01483079,0,0,484.264036,-53.80711511,-80.71067267,-269.0355756,161.4213453,-161.4213453,161.4213453,0,0,900.5096538,-100.0566282,-150.0849423,-500.283141,300.1698846,-300.1698846,300.1698846,0,0,0.094864,-0.010540444,-0.015810667,-0.052702222,0.031621333,-0.031621333,0.031621333,0,0,4.025697139,-0.447299682,-0.670949523,-2.236498411,1.341899046,-1.341899046,1.341899046,0,0,21.86765075,-2.429738973,-3.644608459,-12.14869486,7.289216918,-7.289216918,7.289216918,0,0,5.470679012,-1.470764746,-0.159465021,-1.765346365,2.694701646,-3.294753086,1.260288066,0,0,0.002468201,-5.27E-04,-4.70E-04,-1.26E-04,1.84E-04,-9.17E-04,0.001235899,0,0,26.90355756,-3.165124418,-2.690355756,-7.271231772,4.139008855,-8.967852519,13.45177878,0,0,50.0283141,-5.885684011,-5.00283141,-13.52116597,7.696663707,-16.6761047,25.01415705,0,0,0.005270222,-6.20E-04,-5.27E-04,-0.001424384,8.11E-04,-0.001756741,0.002635111,0,0,0.223649841,-0.026311746,-0.022364984,-0.060445903,0.034407668,-0.074549947,0.111824921,0,0,1.214869486,-0.142925822,-0.121486949,-0.328343104,0.186902998,-0.404956495,0.607434743,0,0,0.303926612,-0.086515573,-0.005315501,-0.047712064,0.069094914,-0.183041838,0.105024005,0,0,-0.213670709,-0.190292767,-0.05100368,0.074564184,-0.37157931,0.500728802,0,0,-0.117647059,-0.1,-0.27027027,0.153846154,-0.333333333,0.5,0,0,-0.117647059,-0.1,-0.27027027,0.153846154,-0.333333333,0.5,0,0,-0.117647059,-0.1,-0.27027027,0.153846154,-0.333333333,0.5,0,0,-0.117647059,-0.1,-0.27027027,0.153846154,-0.333333333,0.5,0,0,-0.117647059,-0.1,-0.27027027,0.153846154,-0.333333333,0.5,0,0,-0.284659421,-0.017489422,-0.156985476,0.227340783,-0.6022567,0.345557123,0,0,1.486837637,1.096703292,0.927418842,0.732238503,1.660772749,0.171412762,0,0,1.5,1.204166667,1.263513514,0.599358974,1.180555556,0,0,0,1.5,1.204166667,1.263513514,0.599358974,1.180555556,0,0,0,1.5,1.204166667,1.263513514,0.599358974,1.180555556,0,0,0,1.5,1.204166667,1.263513514,0.599358974,1.180555556,0,0,0,1.5,1.204166667,1.263513514,0.599358974,1.180555556,0,0,0,1.624823695,0.75528914,1.003163954,0.566605186,2.416925247,0,0,0,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,30.47194687,15.03111233,24.23596966,30.19879873,5.033133121,15.03111302,-0.409722222,0.07246744,0.012077907,-1.57477075,14.46318437,2.410530728,1.602963847,0,11.79,12.21003864,-0.306825676,0.113388988,5.124354161,7.412007173,5,17,16,16,4,1,1,0,0,1,13.118484,3.494018132,3.029130969,2.333552793,2.103266247,1.109116892,0.871664064,0.083923071,0.083923071,1.884575859,1.545299122,1.249629723,1.006023519,0.418142065,0.333540386,0.083923071,0.083923071,3.519622947,3.063686206,2.405454588,2.171084284,1.219049038,1.002916581,0.270913902,0.270913902,1.82608164,1.470540254,1.134540686,0.889412067,0.265130178,0.170625408,0.270913902,0.270913902,3.633521744,3.217086891,2.704236987,2.459835573,1.664422796,1.51479584,0.943918427,0.943918427,1.65650868,1.247838048,0.76031856,0.515068227,0.254526309,0.394817936,0.943918427,0.943918427,3.538557411,3.089248084,2.457539916,2.220656736,1.298159117,1.096025329,0.399277246,0.399277246,1.789043687,1.422620954,1.058262671,0.812442147,0.162058693,0.06009497,0.399277246,0.399277246,3.689739079,3.292094647,2.838982085,2.592983945,1.857726164,1.729245421,1.207644823,1.207644823,1.604463575,1.178080874,0.631337262,0.388476204,0.442200776,0.605254737,1.207644823,1.207644823,3.549920844,3.185260083,2.511069867,2.262249816,1.345625704,1.148869465,0.507042254,0.507042254,1.855456745,1.309768955,0.989943107,0.723131563,0.114684593,0.032242705,0.507042254,0.507042254,0,0,1,1,0,2,1,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.288675135,0,0.23570226,0.166666667,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.568914101,2.37944541,1.918224245,0.638071187,0.333333333,0,0,0,0.761485683,0.475889082,0.383644849,0.212690396,0.166666667,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,4,1,0,2,0,0,0,0,0,0,0,0,2,1,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.549907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.386597222,0.328472222,0,0,0.984930556,0.290277778,0,0.715069444,0,0,0,0,0,0,0,0,4.364444444,3.600833333,1.138888889,0,1.949074074,0,0.780092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.386597222,0.328472222,0,0,0.225625,0.290277778,0,0.328472222,0,0,0,0,0,0,0,0,2.182222222,3.600833333,1.138888889,0,1.949074074,0,0.780092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.600833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.386597222,0.328472222,0,0,0.290277778,0.290277778,0,0.386597222,0,0,0,0,0,0,0,0,2.182222222,3.600833333,1.138888889,0,1.949074074,0,0.780092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.972222222,0.386597222,3.600833333,0.225625,0.780092593,4.456729537,0.553240741,0.600833333,1.930555556,0.553240741,0.600833333,1.930555556,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.49385,0.74898,5.69868,1.20483,0.20081,2.20517,0.36753,2.77005,0.56488,0.09415,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.209690973,2.974937501,2.974937501,2.743275001,1.927736112,16.52932501,39.77443751,53.54887502,53.54887502,49.37895002,34.69925001,0.220218789,0.529911443,0.7134271,0.7134271,0.657871544,0.462295152,3.251629167,1.960234029,1.1949875,1.1949875,1.42665,2.24218889,0.220218789,0.529911443,0.7134271,0.7134271,0.657871544,0.462295152,6.73287657,16.28447751,17.05571211,17.05571211,14.27576211,8.360892138,23.69925001,15.57894792,14.82857223,14.82857223,13.43859723,9.954219449,6,3.2,5.333333333,6,2,5,2.12,0.911,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.126,0.12,0.128,0.152,2.433,5,3,2,0,0,0,0,0,0,21,1.945910149,1.945910149,1.609437912,1.609437912,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,109.6959078,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,84.09390038,4.671883355,10.67917749,1.779862916,0,0,0,32,3,3.327,20,1.219,2.123579622,2.909438799,3.498403342,4.533909411,5.439833782,0,0,0,0,72.30904117,74.90014097,62.60967458,48.90558465,35.28795907,5.527219272,0,0,0,0,274.3286679,330.2950322,346.1482562,290.3103911,372.3407054,169.090403,0,0,0,0,8.860546952,15.09408561,20.47058789,24.12522901,31.56512981,36.54732743,0,0,0,0,2.086978642,2.72943982,3.114291036,2.822167601,3.866306651,2.4186203,0,0,0,0,175.1912326,329.8629259,466.5129854,599.1412027,750.4447495,1005.92129,0,0,0,0,2.980509804,3.962617959,5.26983962,5.693757123,8.923678441,5.439833782,0,0,0,0,0.432999265,0.575542722,0.666205125,0.613644371,0.844916658,0.557038979,0,0,0,0,332.0077004,130.8876858,10.31992935,148.0602511,-58.36992212,-9.364469661,183.9474494,189.2576079,19.68439901,0.691584805,0.272644082,0.02149681,0.308415195,-0.121586792,-0.01950655,159.3862566,62.83498318,4.954267343,71.07898143,-28.02152894,-4.495581767,0.143667885,0.260309515,2.32010635,6.71283422,480.0679515,0,1,0,331.0578085,18.19499405,6.917799096,447.9391783,21.16457366,7.651378443,499.7272835,22.35458082,7.935561963,1.544623655,1.281441922,305.7734471,260.2967645,69.20063206,1.174710903,4.418651073,3.76147958,3.632738058,3.477616438,6.522110511,0.875454245,3.591793317,3.914864138,2.977028568,11.37549192,4.730848996,3.837831281,3.935320114,4.874650797,2.392507191,1.299852585,0.680943934,1.904596212,2.41E-10,5.90E-42,2.78E-95,2.53E-170,4.43E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0.301445031,3.914691837,0.183261635,5.070796325,0.425864526,0.236441932,0.325373996,0.248986696,0.826555723,0.059926547,0.035428352,0.013414227,1.70E-12,4.15E-44,1.96E-97,1.78E-172,3.12E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0.973075264,3.914703751,0.635462187,5.911167562,0.724026083,0.812572135,0.834786224,0.909252444,1.012558254,0.22584383,0.128678013,0.139786586,1.77E-11,4.33E-43,2.04E-96,1.85E-171,3.25E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390360553,3.914845363,2.764228022,10.83154783,4.261911826,3.56111136,3.633855849,4.491025604,2.249362812,1.193104493,0.627801015,1.696960935,2.15E-10,5.25E-42,2.48E-95,2.25E-170,3.95E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.434128364,3.914718835,0.980940178,6.620646469,1.101090138,1.255274922,1.252017769,1.446809145,1.179924102,0.365625813,0.204126536,0.303635144,3.85E-11,9.40E-43,4.43E-96,4.03E-171,7.06E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,4.337608177,3.914942997,3.812357793,13.56884096,6.700316172,4.926263074,5.142869642,6.409090365,2.976186965,1.730110029,0.893178314,2.777674578,3.52E-10,8.60E-42,4.05E-95,3.69E-170,6.46E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.912741976,2.66705862,1.272767873,6.580451539,1.538225129,1.774429248,1.956126828,2.081434118,1.866626158,0.673748467,0.277502053,0.489656158,6.20E-11,1.52E-42,7.15E-96,6.50E-171,1.14E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,3.583899784,1.259905539,0.480005145,0.673183203,0.236654845,0.46266578,0.494336745,0.404705929,5.323810468,6.840426666,14.33164046,0.509774805,1.361708453,2.980623029,0.681968549,0.142250932,0.78337619,0.179236998,0.320430667,0.146884908,0.035100426,3.804842511,2.55369823,6.647692953,0.675064285,0.502416002,3.220173572,0.910454621,0.277499087,0.730508302,0.206540003,0.373798526,0.259671326,0.135156708,4.408127279,4.078067459,9.299772641,0.595762452,0.76862656,3.568959284,1.245511119,0.471734699,0.675145821,0.23561536,0.458829359,0.483183075,0.390943274,5.286205101,6.716331215,14.09948124,0.512718732,1.332955708,3.326973305,1.01281638,0.337246447,0.711342229,0.216550899,0.398912492,0.320612296,0.199936486,4.677036132,4.83319171,10.64661787,0.567013343,0.919461273,3.630676097,1.304989304,0.505877431,0.667214466,0.239819725,0.474780104,0.530097455,0.449253558,5.441542831,7.234835203,15.073222,0.5008217,1.454131117,3.597864274,1.243664971,0.470530604,0.677301156,0.234121039,0.466329675,0.481927808,0.388917064,5.312059849,6.752625448,14.17009226,0.515951733,1.337174547 +UMLS0159,L,4-Methyl-1-Pentene,CC(C)CC=C,12724,,"Sandia, UML",[1],C6H12,PubChem,,14.8,0,0.9442,0.89151364,26.8294,17.22793,0,0,16,6,10,0,6,0,0,0,0,0,0,0,0,0,875.745366,986.655606,1221.765727,577.151906,138.343968,12.192768,0,0,0,2851.938855,3688.467574,5101.643257,3796.813424,1675.789819,373.0049332,0,0,0,112.427736,116.419416,214.09414,245.971208,185.390208,80.621568,0,0,0,21.17952905,27.8688431,41.1202307,35.63544818,18.69386248,5.335354858,0,0,0,2609.942657,2291.991614,4600.149716,5624.58383,4674.825562,2219.011824,0,0,0,27.52777778,33.66666667,53.75,56.16666667,34,12,0,0,0,54.73408538,61.66597537,40.72552423,16.49005446,5.123850667,1.016064,0,0,0,178.2461784,230.5292234,170.0547752,108.4803836,62.06628959,31.08374443,0,0,0,7.0267335,7.2762135,7.136471333,7.0277488,6.866304,6.718464,0,0,0,1.323720566,1.741802694,1.370674357,1.018155662,0.692365277,0.444612905,0,0,0,163.121416,143.2494759,153.3383239,160.7023951,173.1416875,184.917652,0,0,0,1.720486111,2.104166667,1.791666667,1.604761905,1.259259259,1,0,0,0,0.030096513,0.003196455,-0.008016671,-0.028352693,0.008597938,0.009526714,0,0,0,453.9975338,3.98E-13,-49.18306616,-387.7895601,5.674969172,204.2988902,0,0,0,844.2278004,1.56E-13,-91.45801171,-721.1112462,10.5528475,379.9025102,0,0,0,0.088935,1.37E-15,-0.009634625,-0.075965312,0.001111687,0.04002075,0,0,0,3.774091068,1.17E-15,-0.408859866,-3.223702787,0.047176138,1.698340981,0,0,0,20.50092258,5.11E-14,-2.22093328,-17.51120471,0.256261532,9.225415162,0,0,0,2.109375,-0.154513889,0.156032986,-1.878146701,0.008138021,0.813802083,0,0,0,0.001881032,2.00E-04,-2.67E-04,-8.10E-04,3.18E-04,7.94E-04,0,0,0,28.37484586,2.49E-14,-1.639435539,-11.07970172,0.210184043,17.02490752,0,0,0,52.76423752,9.77E-15,-3.04860039,-20.60317846,0.390846204,31.65854251,0,0,0,0.005558437,8.55E-17,-3.21E-04,-0.002170437,4.12E-05,0.003335062,0,0,0,0.235880692,7.29E-17,-0.013628662,-0.092105794,0.001747264,0.141528415,0,0,0,1.281307661,3.19E-15,-0.074031109,-0.500320134,0.009491168,0.768784597,0,0,0,0.131835938,-0.009657118,0.0052011,-0.053661334,3.01E-04,0.06781684,0,0,0,0.106206836,-0.142061567,-0.430655577,0.169291192,0.422051722,0,0,0,8.76E-16,-0.057777778,-0.39047619,0.007407407,0.6,0,0,0,1.85E-16,-0.057777778,-0.39047619,0.007407407,0.6,0,0,0,1.54E-14,-0.057777778,-0.39047619,0.007407407,0.6,0,0,0,3.09E-16,-0.057777778,-0.39047619,0.007407407,0.6,0,0,0,2.49E-15,-0.057777778,-0.39047619,0.007407407,0.6,0,0,0,-0.073251029,0.039451303,-0.407031158,0.002286237,0.514403292,0,0,0,1.066622541,1.292128641,1.444070588,0.504116527,0.001380277,0,0,0,1.25,1.133333333,1.314285714,0.740740741,0,0,0,0,1.25,1.133333333,1.314285714,0.740740741,0,0,0,0,1.25,1.133333333,1.314285714,0.740740741,0,0,0,0,1.25,1.133333333,1.314285714,0.740740741,0,0,0,0,1.25,1.133333333,1.314285714,0.740740741,0,0,0,0,1.333333333,0.915226337,1.475837743,0.724279835,0,0,0,0,16.07350083,8.036750417,11.87553838,16.07350083,2.678916806,8.03768869,-5.33E-15,0.014311245,0.002385207,-2.548025817,21.47271448,3.578785747,1.840069821,16.07350083,8.036750417,11.87553838,16.07350083,2.678916806,8.03768869,-5.33E-15,0.014311245,0.002385207,-2.548025817,21.47271448,3.578785747,1.840069821,16.07350083,8.036750417,11.87553838,16.07350083,2.678916806,8.03768869,-5.33E-15,0.014311245,0.002385207,-2.548025817,21.47271448,3.578785747,1.840069821,16.07350083,8.036750417,11.87553838,16.07350083,2.678916806,8.03768869,-5.33E-15,0.014311245,0.002385207,-2.548025817,21.47271448,3.578785747,1.840069821,16.07350083,8.036750417,11.87553838,16.07350083,2.678916806,8.03768869,-5.33E-15,0.014311245,0.002385207,-2.548025817,21.47271448,3.578785747,1.840069821,16.07350083,8.036750417,11.87553838,16.07350083,2.678916806,8.03768869,-5.33E-15,0.014311245,0.002385207,-2.548025817,21.47271448,3.578785747,1.840069821,17.15886309,8.529431546,12.70051937,17.09219643,2.848699404,8.530023638,-0.1,0.142485381,0.023747563,-1.169109526,21.01766797,3.502944662,1.82721805,0,11.9,12.1000824,-0.139077747,0.061495464,5.839745305,7.492007203,6,16,15,15,5,1,1,0,0,1,10.93207,3.678137484,2.747103276,2.355813088,1.975963684,1.150869371,0.343083398,0.083923071,0.083923071,1.754520439,1.687517145,1.188384144,0.645277741,0.555655479,0.083923071,0.083923071,0.083923071,3.696932743,2.791500679,2.405207026,2.043503576,1.268172845,0.471247769,0.270913902,0.270913902,1.702396596,1.619861007,1.080219324,0.505502562,0.41401564,0.270913902,0.270913902,0.270913902,3.781815199,2.989913008,2.625219407,2.326004333,1.732417956,0.958552952,0.943918427,0.943918427,1.5621384,1.417595025,0.730798023,0.051001877,0.067202604,0.943918427,0.943918427,0.943918427,3.710895962,2.824454472,2.44183568,2.092543643,1.35183446,0.561642133,0.399277246,0.399277246,1.670393235,1.576439685,1.00866449,0.41269785,0.318624864,0.399277246,0.399277246,0.399277246,3.824544477,3.086859989,2.732257719,2.454405997,1.929708226,1.207644823,1.207644823,1.207644823,1.522230422,1.353855165,0.611658759,0.104051087,0.240894356,1.15324661,1.207644823,1.207644823,3.733539337,2.903808337,2.486849224,2.181706543,1.461610347,0.695456946,0.590163934,0.590163934,1.615708018,1.560802866,0.865063101,0.285077235,0.18549984,0.590163934,0.590163934,0.590163934,0,0,0,1,1,1,3,0,0,0,0,0.144337567,0.144337567,0,0,0,0.102062073,0.102062073,0,0.288675135,0,0,0,0.204124145,0,0,0,0.40824829,0.433012702,0,0.288675135,0.306186218,0,4.405777394,2.89384685,2.389628766,1.64384685,1.129936127,0.288675135,0,0,0.734296232,0.482307808,0.341375538,0.234835264,0.161419447,0.144337567,0,0,4.198670613,2.550476816,1.942705341,1.268037688,0.831424626,0.204124145,0,0,0.699778435,0.425079469,0.277529334,0.181148241,0.118774947,0.102062073,0,0,8.709139019,15.43918427,14.62745098,14.8,9.992772455,121.8839701,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,2.04279,27.338,18.09925825,25.29161865,36.19851651,6.033086084,18.09925827,0.064833572,0.010805595,-1.641559038,30.97618464,5.16269744,2.059931203,29,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,3,0,1,0,0,0,0,0,0,0,0,1,0,3,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.898148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.836111111,0.870833333,0,0.304166667,0,0,0,0,0,0,0,0,2.201388889,0,4.06712963,0,2.319444444,0,0,0,0,1.578703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.578703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.255555556,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.201388889,0,1.325231481,0,2.319444444,0,0,0,0,1.578703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.319444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.290277778,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.201388889,0,1.394675926,0,2.319444444,0,0,0,0,1.578703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.16666667,1.694444444,0.304166667,2.319444444,0.069444444,1.325231481,3.338203704,0.174768519,0.319444444,1.041666667,0.174768519,0.319444444,1.041666667,3,0.5,0,0,0.45,0.7,0.43333,0.43333,0.7,0.01667,0.01667,0,0,0.71429,0,0,0.16667,0.16667,0,4,0.66667,3,0.5,1,0.16667,-2,-0.33333,0,0,4.33534,0.72256,5.2306,0.89526,0.14921,2.3406,0.3901,2.89384,0.55324,0.09221,0.02016,0.00336,0.10616,0.01769,0.3125,6,0,0,0,0,0,0,0.666666667,0.954434003,2.091917187,3.077819531,3.327819531,3.202819531,3.327819531,15.27094405,33.47067499,49.2451125,53.2451125,51.2451125,53.2451125,0.238608501,0.522979297,0.769454883,0.831954883,0.800704883,0.831954883,3.045565997,1.908082813,0.922180469,0.672180469,0.797180469,0.672180469,0.233502796,0.511788674,0.752990217,0.814152852,0.783571535,0.814152852,6.794779896,17.22252709,19.59016602,19.84212228,18.34212228,19.84212228,23.34095565,14.95225468,13.35845859,12.85845859,14.35845859,12.85845859,4.166666667,1.632653061,0.979591837,0,2,0,2.12,0.8024,0,1.632993162,1,0,4.242640687,2.828427125,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.076,0.353,0.392,3.041,7,7,7,2,0,0,0,0,0,35,2.079441542,2.397895273,2.48490665,2.564949357,1.386294361,0,0,0,0,0,3.912023005,1.4,0.333333333,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,0,2,3,0.5,1,0.444444444,0.222222222,0,0,0,0,0,0,0,0.166666667,0.063492063,0.111111111,0,0,0,0,0,0,0,0.341269841,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,0,97.33944905,3.584962501,3.295836866,4.007333185,4.762173935,5.493061443,6.251903883,6.989335266,7.747164967,8.487764381,9.243871855,68.27844578,2.564949357,0,3.713572067,2.397895273,5.017279837,4.442651256,6.385194399,6.224558429,7.788626066,8.245646901,82.07825032,5.129890645,11.57549817,1.929249695,0,0,0,26,2,2.391,26,1.295717689,2.289582472,3.190700003,3.966973218,5.076861149,0,0,0,0,0,95.09295523,103.1201837,59.40088957,22.69898255,5.158415846,0,0,0,0,0,334.1946406,417.814637,364.9886981,264.1119324,157.8078545,0,0,0,0,0,9.476528449,16.40506449,22.46407952,27.32384174,34.10870886,0,0,0,0,0,2.449464279,3.312749328,3.36215228,2.889705124,2.257237983,0,0,0,0,0,182.5844923,346.353569,509.861496,680.0462197,938.8012433,0,0,0,0,0,2.815573595,4.221018964,5.195342397,5.152475038,5.076861149,0,0,0,0,0,0.504744013,0.693191781,0.721440427,0.637824793,0.519870582,0,0,0,0,0,290.6615922,92.1991131,8.954808848,174.0682858,-55.21521248,-7.559710382,116.5933064,147.4143256,16.51451923,0.625442017,0.198392911,0.019268847,0.374557983,-0.118811411,-0.016266891,135.0791263,42.84768259,4.161567224,80.89473324,-25.66015896,-3.513223284,0.180180067,0.268011928,3.985952137,3.540017761,464.729878,0,1,0,357.9912854,18.92065764,7.100530843,455.0739585,21.33246255,7.691788393,529.7668003,23.01666354,8.091485237,1.369174524,1.17802809,248.8399156,180.318201,81.90868291,1.380004427,3.038016322,2.201454041,3.437326443,3.479064736,5.62183571,0.615904313,2.870679673,2.71586654,6.151082813,8.648896109,4.224785942,9.471957244,4.32281053,3.865527016,2.860035925,1.694293765,6.46E-07,3.23E-34,3.26E-83,6.35E-154,2.39E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.240930735,2.715679326,1.703134986,2.300154101,0.303045613,0.58168188,0.130252105,0.12819085,0.14477582,0.01193305,4.55E-09,2.27E-36,2.29E-85,4.47E-156,1.68E-248,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.777718558,2.715692206,2.574479676,3.158550606,0.97159408,2.017735232,0.553699042,0.541046817,0.530115075,0.124351576,4.74E-08,2.37E-35,2.39E-84,4.66E-155,1.75E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.709688327,2.715846117,5.865843155,8.10545162,3.938015904,8.793750178,3.913196256,3.512906607,2.634057283,1.509585242,5.75E-07,2.88E-34,2.90E-83,5.66E-154,2.13E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.14620657,2.71570857,3.183490747,3.877720776,1.469713995,3.115967303,0.972753859,0.928385903,0.844789256,0.270108241,1.03E-07,5.15E-35,5.19E-84,1.01E-154,3.80E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.466758163,2.715952336,7.221888686,10.83676644,5.339572387,12.1351438,6.01308975,5.311713805,3.764577444,2.470968224,9.42E-07,4.71E-34,4.75E-83,9.26E-154,3.48E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.708267584,2.816418708,3.991112953,5.397314519,2.397776709,4.866971678,1.712579211,1.610889611,1.505814819,0.590111454,2.25E-07,1.12E-34,1.13E-83,2.21E-154,8.31E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.120503119,1.545098728,0.41449155,0.614260974,0.304147701,0.576141885,0.597877651,0.498383376,5.080093396,6.755337939,13.83389629,0.421391461,1.672402911,2.118729875,0.917825073,0.081497026,0.679504348,0.294358491,0.264964669,0.210367845,0.019268803,3.118051975,2.192093601,5.4686266,0.519256523,0.494601317,2.494374334,1.153075626,0.206370696,0.647247124,0.29920324,0.367631437,0.33245961,0.123552271,3.853820656,3.628929034,8.076313549,0.470870685,0.823643317,3.093334055,1.528089908,0.405461142,0.615358018,0.303983456,0.566124003,0.584754149,0.476904619,5.026885105,6.600700388,13.54415674,0.423037027,1.627782771,2.670874124,1.263593534,0.265040169,0.635996939,0.300890863,0.421677827,0.39944448,0.203784502,4.199507827,4.417691246,9.511682946,0.453995409,1.024906809,3.206422234,1.598886268,0.443049002,0.610938228,0.304645076,0.608401671,0.640338461,0.569420414,5.248357504,7.255691614,14.77543042,0.416407342,1.818160547,3.097466431,1.528620035,0.406267636,0.615510429,0.303758441,0.56764435,0.585167561,0.478802302,5.032354102,6.614278458,13.57024857,0.423265643,1.631614214 +UMLS0160,L,1-methyl-cyclopentene,CC1=CCCC1,12746,,"Sandia, UML",[1],C6H10,UML,,20.7,0,0.0486,0.00236196,30.5884,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1323.6122,1631.364849,1408.538047,761.887227,299.795497,58.588992,4.064256,0,3823.307636,4994.447843,7096.043224,7236.379542,4947.14347,2369.462059,769.7839098,124.3349777,0,154.382624,159.970976,300.351492,427.954876,375.242412,233.640676,95.655168,26.873856,0,28.53578067,37.90082034,57.8334738,64.26827042,47.76524328,24.81937132,8.900306288,1.778451619,0,3603.201977,3158.070517,6384.963905,9887.465468,9016.305714,5879.330725,2461.666711,739.6706081,0,40.02777778,46,71.66666667,93.5,83.16666667,50,19,4,0,53.10626655,60.16419091,38.84202021,23.09078766,14.10902272,8.817514618,4.184928,1.016064,0,173.7867107,227.0203565,168.9534101,118.6291728,91.61376796,69.69006057,54.98456499,31.08374443,0,7.017392,7.271408,7.151226,7.015653705,6.948933556,6.871784588,6.832512,6.718464,0,1.297080939,1.722764561,1.376987471,1.053578204,0.884541542,0.729981509,0.635736163,0.444612905,0,163.781908,143.5486599,152.0229501,162.0895978,166.9686243,172.9214919,175.8333365,184.917652,0,1.819444444,2.090909091,1.706349206,1.532786885,1.540123457,1.470588235,1.357142857,1,0,0.048698283,-0.006452617,-0.017748253,-1.77E-04,-0.009693425,8.36E-04,0.003242707,0.005643546,0,616.3360458,5.47E-13,-219.1194708,-157.085648,-137.0747375,93.05073419,48.02618539,64.03491385,0,1146.103196,1.28E-13,-407.4620128,-292.1074703,-254.8963276,173.0318136,89.30674252,119.0756567,0,0.120736,1.75E-15,-0.042924,-0.030772,-0.026852,0.018228,0.009408,0.012544,0,5.123614541,1.08E-14,-1.82154478,-1.305856303,-1.139505182,0.773532715,0.399242692,0.532323589,0,27.8315555,-2.93E-14,-9.894660155,-7.093432166,-6.189810234,4.201841984,2.168692637,2.891590182,0,4.814393939,-0.178030303,-1.117883379,0.310089532,-0.774219467,-0.586891644,-0.341483012,0.281221304,0,0.002213558,-2.93E-04,-4.23E-04,-2.91E-06,-1.80E-04,2.46E-05,2.32E-04,0.001410887,0,28.01527481,2.49E-14,-5.217130258,-2.575174558,-2.538421064,2.7367863,3.430441813,16.00872846,0,52.0955998,5.81E-15,-9.701476494,-4.788647055,-4.720302363,5.089170989,6.379053037,29.76891417,0,0.005488,7.96E-17,-0.001022,-5.04E-04,-4.97E-04,5.36E-04,6.72E-04,0.003136,0,0.23289157,4.92E-16,-0.043370114,-0.02140748,-0.021101948,0.022750962,0.028517335,0.133080897,0,1.265070705,-1.33E-15,-0.235587147,-0.116285773,-0.114626115,0.123583588,0.154906617,0.722897546,0,0.218836088,-0.008092287,-0.026616271,0.005083435,-0.014337398,-0.017261519,-0.024391644,0.070305326,0,-0.132501937,-0.190904143,-0.001313798,-0.081094713,0.011111988,0.104637817,0.637383939,0,8.88E-16,-0.18622449,-0.091920375,-0.090608466,0.097689076,0.12244898,0.571428571,0,1.12E-16,-0.18622449,-0.091920375,-0.090608466,0.097689076,0.12244898,0.571428571,0,1.45E-14,-0.18622449,-0.091920375,-0.090608466,0.097689076,0.12244898,0.571428571,0,2.11E-15,-0.18622449,-0.091920375,-0.090608466,0.097689076,0.12244898,0.571428571,0,-1.05E-15,-0.18622449,-0.091920375,-0.090608466,0.097689076,0.12244898,0.571428571,0,-0.036978757,-0.121626516,0.023229418,-0.065516605,-0.078878758,-0.111460792,0.321269342,0,1.350294965,1.121723238,0.827721715,1.012454967,1.022191788,0.975021324,0.153180664,0,1.3125,1.325892857,1.048155738,0.954861111,0.667279412,0.589285714,0,0,1.3125,1.325892857,1.048155738,0.954861111,0.667279412,0.589285714,0,0,1.3125,1.325892857,1.048155738,0.954861111,0.667279412,0.589285714,0,0,1.3125,1.325892857,1.048155738,0.954861111,0.667279412,0.589285714,0,0,1.3125,1.325892857,1.048155738,0.954861111,0.667279412,0.589285714,0,0,1.299763965,0.799108314,0.668390708,1.160037299,1.379136391,1.324154209,0,0,30.77271836,15.38635918,23.18205497,30.77271836,3.846589795,15.38636004,0,0.011337013,0.001417127,-3.583745955,79.30716705,9.913395881,3.498662803,30.77271836,15.38635918,23.18205497,30.77271836,3.846589795,15.38636004,0,0.011337013,0.001417127,-3.583745955,79.30716705,9.913395881,3.498662803,30.77271836,15.38635918,23.18205497,30.77271836,3.846589795,15.38636004,0,0.011337013,0.001417127,-3.583745955,79.30716705,9.913395881,3.498662803,30.77271836,15.38635918,23.18205497,30.77271836,3.846589795,15.38636004,0,0.011337013,0.001417127,-3.583745955,79.30716705,9.913395881,3.498662803,30.77271836,15.38635918,23.18205497,30.77271836,3.846589795,15.38636004,0,0.011337013,0.001417127,-3.583745955,79.30716705,9.913395881,3.498662803,30.77271836,15.38635918,23.18205497,30.77271836,3.846589795,15.38636004,0,0.011337013,0.001417127,-3.583745955,79.30716705,9.913395881,3.498662803,40.16877105,19.78971423,30.02302671,40.04333702,5.005417128,19.78971424,-0.501736111,0.082845829,0.010355729,-1.992619102,66.25459189,8.281823986,3.354803819,0,11.9,12.10012615,-0.149691392,0.050510948,5.5151836,8.608754956,8,22,21,21,7,1,1,0,0,1,15.304898,3.649504605,3.138911379,2.750129472,2.525565447,1.456797487,1.437166735,1.118098661,0.770991813,1.993955263,1.58267502,1.372874417,1.192707619,0.666206401,0.608478529,0.481029915,0.277853871,3.672277353,3.168205153,2.792995694,2.570349785,1.556142907,1.529415999,1.23762927,0.908050179,1.942528308,1.516954162,1.285229005,1.097824067,0.522081792,0.465030983,0.326575764,0.111531043,3.773084499,3.298439671,2.981537655,2.770289371,1.9628467,1.916270907,1.710174075,1.438581302,1.793355048,1.324666716,1.018928274,0.810370363,0.037619229,0.011283346,0.205491378,0.468288139,3.689087519,3.189870864,2.824624264,2.603577638,1.62787375,1.596630104,1.322861683,1.004998235,1.909972429,1.475165793,1.228596505,1.036528425,0.425347018,0.369128299,0.222046176,0.001478551,3.822628198,3.362525497,3.072480534,2.867944811,2.141548494,2.089958336,1.910626018,1.659319804,1.747430174,1.265248755,0.933903671,0.71939954,0.135164289,0.178136658,0.401464135,0.685343949,3.727918209,3.380219424,2.77707341,2.654818341,1.715014625,1.681083795,1.451096326,1.136168262,1.957065254,1.354081591,1.235300662,0.859920373,0.331290277,0.25142262,0.069750874,0.161945283,0,0,1,1,0,0,5,1,0,0,0,0,0.102062073,0.072168784,0,0,0,0.102062073,0.058925565,0.204124145,0,0,0,0.166666667,0,0,0,0.49279928,0.594861352,0.49279928,0.353553391,0.416666667,0.353553391,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,5.397341225,3.558078205,2.633792357,1.983163248,1.369869053,0.945705769,0.23570226,0.083333333,0.674667653,0.444759776,0.292643595,0.198316325,0.136986905,0.094570577,0.058925565,0.041666667,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.67889,36.502,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,6,1,0,2,0,0,0,0,0,0,0,0,0,1,5,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.89462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.364027778,0.290694444,0,0,1.445277778,0.290277778,0,0.654722222,0,0,0,0,0,0,0,0,0,3.784351852,7.088009259,0,2.110277778,0,0.850694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.110277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.364027778,0.290694444,0,0,0.216944444,0.290277778,0,0.290694444,0,0,0,0,0,0,0,0,0,3.784351852,1.392361111,0,2.110277778,0,0.850694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.784351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.364027778,0.290694444,0,0,0.290277778,0.290277778,0,0.364027778,0,0,0,0,0,0,0,0,0,3.784351852,1.44875,0,2.110277778,0,0.850694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.83333333,1.729166667,0.364027778,3.784351852,0.216944444,0.850694444,5.572267269,0.482638889,0.784351852,1.789259259,0.482638889,0.784351852,1.789259259,4,0.5,0,0,0.44545,0.7,0.43333,0.43333,0.7,0.01212,0.01212,0,0,0.71429,0,0,0.125,0.125,0,5,0.625,4,0.5,1,0.125,-3,-0.375,0,0,6.67375,0.83422,8.02289,1.34915,0.16864,3.39384,0.42423,3.93185,0.53801,0.06725,-0.01785,-0.00223,0.06815,0.00852,0.272727273,8,0,0,0,0,0,0,0.75,0.945660305,1.985873629,2.551514871,3.027169118,3.277613437,3.095795255,20.8045267,43.68921983,56.13332716,66.59772061,72.10749561,68.10749561,0.212058483,0.445319897,0.572161452,0.67882398,0.734984571,0.694212967,3.513771314,2.47355799,1.907916748,1.4322625,1.181818182,1.363636364,0.209052139,0.439006616,0.564049945,0.669200322,0.724564728,0.684371141,6.786633838,14.02575958,17.02147672,17.87802823,18.13043228,15.9486141,31.28312609,24.89843272,20.68292738,19.64457454,18.99492654,22.17914098,6.125,3.111111111,1.8,2,2,2,2.34,1.0842,0,2.00414513,0.5,0,7.732315986,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.112,0.12,0.278,0.36,3.787,9,10,10,10,4,2,0,0,0,61,2.302585093,2.397895273,2.564949357,2.564949357,2.564949357,1.945910149,1.609437912,0,0,0,4.304065093,1.196721311,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,1,0.125,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,0,131.9314183,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,110.1095504,5.004979566,15.69266546,1.961583183,0,0,0,64,7,4.121,34,1.222999411,2.108867404,2.823243395,3.58712192,4.146350337,4.897605343,5.709273287,0,0,0,83.04796982,90.18311566,69.36406128,53.49537153,39.67305465,21.3806511,5.800987053,0,0,0,299.7655435,377.9041026,351.3345625,335.1446976,302.5244704,275.964138,177.4655917,0,0,0,8.923221417,15.12181359,19.86223274,24.93448625,28.54242159,33.49478151,38.35754704,0,0,0,2.226955806,3.029592631,3.088398637,3.207469351,3.123797044,3.166933087,2.538416581,0,0,0,173.6738804,317.7802597,453.371802,598.4773323,713.1486216,858.6265823,1055.745411,0,0,0,2.613398614,3.683138227,4.42551541,5.539380468,6.243879933,6.781923295,5.709273287,0,0,0,0.460046942,0.634958959,0.658529388,0.694133913,0.684924049,0.705034444,0.584629585,0,0,0,321.6324598,149.6083732,10.96247735,104.7869067,-48.74196668,-6.957219082,216.8455531,198.3503399,17.91969643,0.754263256,0.35084798,0.025708207,0.245736744,-0.114305237,-0.016315439,137.1503097,63.79590771,4.674612646,44.68316635,-20.78451855,-2.966692953,0.122340521,0.220072595,2.801147706,5.052320021,426.4193664,0,1,0,579.3719988,24.07014746,8.336539916,715.6274408,26.75121382,8.944628929,956.7378719,30.93117961,9.853661868,1.402168661,1.266911393,359.9385233,289.7661149,133.2747732,1.242169131,2.700725086,2.174200773,3.704344628,3.779648656,6.509250006,0.722183885,4.150214403,5.254991662,9.067767084,11.9763545,14.74265608,9.897885689,10.849988,4.819818876,7.835644577,1.094519878,0.410357972,0.998834007,3.47E-11,2.35E-43,3.06E-97,7.68E-173,3.72E-270,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348877367,4.746992094,0.625238236,3.966773008,0.812189054,1.390087807,1.660430094,0.360050929,0.311888575,0.081744656,0.002897122,0.00703487,2.45E-13,1.65E-45,2.15E-99,5.41E-175,2.62E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,1.124811294,4.780938323,2.05183068,4.694044424,2.877892722,2.706784739,2.588408825,0.937003005,1.234604863,0.270544018,0.030135776,0.073308765,2.55E-12,1.72E-44,2.24E-98,5.64E-174,2.73E-271,0,0,0,0,0,0,0,0,0,0,0,0,0,3.917499273,5.199218004,8.445956168,11.16491542,13.61468241,9.228488493,9.9521075,4.428855697,7.158171422,1.026175587,0.365626342,0.889943118,3.09E-11,2.09E-43,2.72E-97,6.84E-173,3.32E-270,0,0,0,0,0,0,0,0,0,0,0,0,0,1.657465611,4.824950765,3.119240322,5.462794987,4.526878938,3.735340626,3.506860339,1.432050428,2.050045739,0.405472546,0.065441862,0.159236433,5.54E-12,3.74E-44,4.87E-98,1.22E-173,5.93E-271,0,0,0,0,0,0,0,0,0,0,0,0,0,5.011853788,5.489512219,11.4892333,15.34533114,19.23145888,12.54503629,14.55514598,6.401290864,10.59026711,1.35476993,0.598445909,1.456705527,5.06E-11,3.42E-43,4.46E-97,1.12E-172,5.43E-270,0,0,0,0,0,0,0,0,0,0,0,0,0,2.488692656,3.888573457,4.554699855,6.661695105,6.942355409,4.927295579,5.700891867,2.603423791,3.767113365,0.998934311,0.137257761,0.334056257,1.16E-11,7.85E-44,1.02E-97,2.57E-173,1.25E-270,0,0,0,0,0,0,0,0,0,0,0,0,0,2.915420834,1.555996251,0.719635407,0.561624225,0.299745813,0.438348351,0.558379697,0.418197255,5.191052492,7.754173941,16.2097689,0.342436338,1.414925303,2.349634333,0.924831024,0.287023872,0.659733663,0.259675367,0.2872444,0.195329847,0.067835051,3.561489229,3.112864451,7.298060781,0.489600494,0.550409298,2.564742914,1.164600152,0.452680099,0.613278027,0.27847769,0.340959825,0.31093662,0.168057538,4.182023165,4.675099375,10.20923272,0.41991704,0.819953984,2.900405248,1.539231217,0.708271892,0.563414313,0.299001286,0.433928067,0.54627995,0.405417948,5.147908357,7.608864018,15.91877737,0.345121469,1.385625964,2.664582781,1.275990433,0.529039438,0.59615519,0.285481211,0.367445239,0.373919676,0.228718077,4.469612652,5.484700774,11.75303806,0.394232785,0.970082992,2.962787227,1.608882556,0.755445983,0.556170986,0.302017569,0.452439111,0.597431822,0.459669532,5.327115765,8.220426256,17.14858432,0.334256479,1.509540465,2.927485455,1.536974707,0.708953909,0.565871089,0.29709099,0.4415546,0.544672361,0.405072596,5.173414071,7.664567584,16.02789928,0.348806634,1.391299557 +UMLS0161,L,vinylcyclohexane,C=CC1CCCCC1,12757,,UML,[1],C8H14,PubChem,,10.9,0,-0.086,0.007396,34.709,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,1985.508851,1834.308513,1208.909357,605.601698,147.488544,12.192768,0,4371.159516,5876.91121,8672.178832,9469.851103,7575.105347,4667.158268,1955.543519,373.0049332,0,188.796996,195.98202,384.613004,548.203716,563.07506,434.0882,245.856384,80.621568,0,33.10313229,45.14389758,71.20205987,83.87350945,72.48554276,48.08460951,22.69537863,5.335354858,0,4469.666941,3897.355064,8328.753616,12565.07281,13511.29447,10802.27809,6339.08443,2219.011824,0,40.80555556,49.77777778,84.33333333,114.1666667,111.5,82.16666667,43,12,0,48.76541633,56.15943233,36.76868243,23.51677581,14.92480688,9.612725365,4.096904,1.016064,0,161.8947969,217.6633782,160.5959043,121.4083475,93.5198191,74.08187728,54.3206533,31.08374443,0,6.992481333,7.258593333,7.122463037,7.028252769,6.951543951,6.890288889,6.829344,6.718464,0,1.226041937,1.671996207,1.318556664,1.075301403,0.894883244,0.76324777,0.630427184,0.444612905,0,165.54322,144.3464838,154.2361781,161.0906771,166.8061046,171.4647315,176.0856786,184.917652,0,1.511316872,1.843621399,1.561728395,1.463675214,1.37654321,1.304232804,1.194444444,1,0,0.036407824,-0.003076168,-0.007014982,-0.010613783,-0.007278173,1.14E-04,0.002327761,0.007337676,0,726.396054,7.32E-13,-121.066009,-282.4873543,-201.7766817,-8.42E-13,80.71067267,161.4213453,0,1350.764481,-5.26E-13,-225.1274134,-525.297298,-375.2123557,7.11E-15,150.0849423,300.1698846,0,0.142296,2.04E-15,-0.023716,-0.055337333,-0.039526667,-1.68E-15,0.015810667,0.031621333,0,6.038545709,1.65E-14,-1.006424285,-2.348323331,-1.677373808,-1.42E-14,0.670949523,1.341899046,0,32.80147613,-2.00E-13,-5.466912688,-12.75612961,-9.111521147,1.84E-13,3.644608459,7.289216918,0,2.483539095,-0.854938272,0.144032922,-0.490512117,-0.28909465,-0.169410151,-0.021262003,0.439414723,0,0.001348438,-1.14E-04,-1.30E-04,-1.36E-04,-8.99E-05,1.81E-06,6.47E-05,6.11E-04,0,26.90355756,2.71E-14,-2.24196313,-3.621632748,-2.491070144,-1.34E-14,2.24196313,13.45177878,0,50.0283141,-1.95E-14,-4.169026175,-6.734580744,-4.632251305,1.13E-16,4.169026175,25.01415705,0,0.005270222,7.55E-17,-4.39E-04,-7.09E-04,-4.88E-04,-2.67E-17,4.39E-04,0.002635111,0,0.223649841,6.11E-16,-0.018637487,-0.030106709,-0.020708319,-2.26E-16,0.018637487,0.111824921,0,1.214869486,-7.40E-15,-0.101239124,-0.163540123,-0.112487915,2.92E-15,0.101239124,0.607434743,0,0.091982929,-0.03166438,0.002667276,-0.006288617,-0.00356907,-0.00268905,-5.91E-04,0.036617894,0,-0.084491955,-0.096338935,-0.100912429,-0.066635609,0.001339084,0.047951803,0.453467656,0,1.01E-15,-0.083333333,-0.134615385,-0.092592593,-4.97E-16,0.083333333,0.5,0,-3.89E-16,-0.083333333,-0.134615385,-0.092592593,2.25E-18,0.083333333,0.5,0,1.43E-14,-0.083333333,-0.134615385,-0.092592593,-5.06E-15,0.083333333,0.5,0,2.73E-15,-0.083333333,-0.134615385,-0.092592593,-1.01E-15,0.083333333,0.5,0,-6.09E-15,-0.083333333,-0.134615385,-0.092592593,2.40E-15,0.083333333,0.5,0,-0.344241922,0.028997514,-0.068367217,-0.038801436,-0.029234229,-0.006420878,0.398094449,0,1.530079947,1.211094284,1.118285243,0.989705134,0.843745748,0.658209306,0.003739006,0,1.444444444,1.283950617,1.166666667,0.989711934,0.791005291,0.601851852,0,0,1.444444444,1.283950617,1.166666667,0.989711934,0.791005291,0.601851852,0,0,1.444444444,1.283950617,1.166666667,0.989711934,0.791005291,0.601851852,0,0,1.444444444,1.283950617,1.166666667,0.989711934,0.791005291,0.601851852,0,0,1.444444444,1.283950617,1.166666667,0.989711934,0.791005291,0.601851852,0,0,1.874067937,0.856255178,1.0495029,0.998066832,0.994733105,0.799710025,0,0,40.14219446,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,1.78E-14,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,40.14219446,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,1.78E-14,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,40.14219446,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,1.78E-14,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,40.14219446,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,1.78E-14,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,40.14219446,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,1.78E-14,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,40.14219446,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,1.78E-14,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,47.10182096,23.36777262,35.37777518,47.00065498,5.222294998,23.36777262,-0.182098765,0.035273929,0.003919325,-3.01015003,47.79540835,5.310600928,3.480236618,0,11.9,12.1001487,-0.151156961,0.04901184,6.1114375,9.068755296,9,27,27,27,9,0,0,0,0,0,19.677726,3.664750317,3.219157313,2.750129472,2.592338226,2.333552793,1.499631818,1.456797487,1.151713741,2.013537918,1.716752167,1.372874417,1.258063942,1.249629723,0.666206401,0.635930541,0.505325169,3.687986481,3.252710913,2.792995694,2.638583645,2.405454588,1.589768807,1.556142907,1.269866432,1.96177185,1.644684894,1.285229005,1.165486243,1.134540686,0.522081792,0.49658748,0.351430425,3.790509853,3.400847878,2.981537655,2.841612656,2.704236987,1.965208078,1.9628467,1.738170588,1.811063426,1.43044514,1.018928274,0.881733676,0.76031856,0.037619229,0.035307892,0.178057588,3.705120264,3.277477673,2.824624264,2.672698925,2.457539916,1.655239663,1.62787375,1.354189917,1.928955643,1.598552216,1.228596505,1.105452968,1.058262671,0.425347018,0.403570735,0.247308696,3.840711395,3.473015731,3.072480534,2.939085759,2.838982085,2.141548494,2.133257619,1.937367216,1.764468612,1.363272377,0.933903671,0.790417671,0.631337262,0.126189495,0.135164289,0.372637902,3.698128699,3.36340787,2.854261372,2.724027945,2.713878329,1.758082461,1.74890333,1.498840181,1.920425873,1.499078803,1.160668036,1.011278079,0.807995976,0.266026078,0.257784547,0.072150721,0,0,0,0,0,2,5,2,0,0,0,0,0.102062073,0.058925565,0,0,0,0.102062073,0.058925565,0.5,0,0.166666667,0,0.5,0,0.166666667,0,1.040440115,1.054737854,1.040440115,1.040440115,1.054737854,1.040440115,6.690234444,4.304530453,3.642107032,2.592638956,1.800833459,1.250443623,0.451184464,0.23570226,0.743359383,0.478281161,0.331100639,0.216053246,0.150069455,0.104203635,0.075197411,0.058925565,6.690234444,4.304530453,3.642107032,2.592638956,1.800833459,1.250443623,0.451184464,0.23570226,0.743359383,0.478281161,0.331100639,0.216053246,0.150069455,0.104203635,0.075197411,0.058925565,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.2227,41.413,36.08872406,51.75280153,72.17744812,8.019716458,36.08872406,0.19041988,0.021157764,-1.492671377,35.89962077,3.988846752,3.222654059,69,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,4.714259259,0,7.462546296,0,0,0,1.989861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.35712963,0,1.488935185,0,0,0,0.935462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.35712963,0,1.497685185,0,0,0,1.054398148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.16666667,1.574074074,0.2,2.35712963,0.2,0.935462963,6.479198287,0.39787037,0.35712963,1.428518519,0.39787037,0.35712963,1.428518519,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.22222,0.22222,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,9.97476,1.10831,9.97476,0,0,4.30452,0.47828,4.30452,0,0,0.10948,0.01216,0.19548,0.02172,0.222222222,9,0,0,0,0,0,0,1,0.918295834,1.396802669,2.551778485,2.865274539,2.661208798,2.550821761,24.79398752,37.71367206,68.8980191,77.36241255,71.85263755,68.87218755,0.193126721,0.293761455,0.536664324,0.602595653,0.559678604,0.536463115,3.836591668,3.358084833,2.203109017,1.889612963,2.093678704,2.204065741,0.193126721,0.293761455,0.536664324,0.602595653,0.559678604,0.536463115,6.73287657,12.47495859,16.42966265,15.42446943,15.21880687,12.86442972,35.54887502,27.21134672,23.88525893,25.29835928,25.72319909,29.73478428,7.111111111,3.239669421,2,3,0,3,2.45,1.2681,0.5,2.68246152,2.828427125,0,6.083643419,4.745102806,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,4.165,11,12,12,12,6,4,0,0,0,75,2.302585093,2.48490665,2.564949357,2.564949357,2.564949357,1.945910149,1.609437912,0,0,0,4.33073334,1,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,3,0.333333333,0,3,5,0.666666667,1.5,0.888888889,0.4375,0.191111111,0.125,0,0,0,0,0,0.166666667,0.080808081,0.048611111,0.038222222,0.0625,0,0,0,0,0,0.396808081,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,0,151.8638616,4.169925001,3.713572067,4.465908119,5.252273428,6.02827852,6.816735881,7.598399329,8.386400901,9.169830829,9.957265258,79.38866433,2.944438979,0,4.143134726,0,5.556828062,0,7.055312843,0,8.590257762,8.836955157,126.1408506,4.671883355,17.52861439,1.947623821,0,0,0,88,9,4.999,40,1.22699952,2.102062456,2.83197678,3.514067012,4.097457258,5.004203446,5.748921289,0,0,0,78.95148878,86.18511041,71.40133381,58.14924337,44.52003758,21.27286722,5.84127196,0,0,0,290.5400635,361.6396057,360.820155,343.7404246,326.6522086,277.6477373,178.6980001,0,0,0,8.938429587,15.02094699,19.95558373,24.45766187,28.31908648,34.20317975,38.62392072,0,0,0,2.17886504,2.914409346,3.158941835,3.233274784,3.294128701,3.20129471,2.556044594,0,0,0,175.1121323,320.7644033,452.2897494,584.1187481,695.8524241,878.95794,1063.077026,0,0,0,2.308999694,3.372944974,4.226930937,4.890072701,5.50374382,6.037864861,5.748921289,0,0,0,0.45089223,0.611642914,0.672940116,0.697845438,0.71906359,0.71326913,0.58868954,0,0,0,349.3292642,162.0024082,8.930833424,86.95552129,-40.32586245,-4.687805996,262.3737429,202.3282707,13.61863942,0.800690915,0.371322617,0.020470192,0.199309085,-0.092430137,-0.01074483,152.4070431,70.67918593,3.896386745,37.93737095,-17.59356025,-2.045218433,0.064933444,0.134373977,0.68806471,0.988856004,436.2847855,0,1,0,620.8036052,24.91593075,8.530701456,795.1702547,28.19876335,9.264458536,1092.564988,33.05397084,10.29949094,1.680324685,1.680324685,473.969352,427.83029,168.1634146,1.107844309,2.818504566,2.544134174,4.019304462,3.779648656,6.970405536,0.844194043,5.80083534,6.962468225,9.05018823,16.89334382,17.44905721,17.48262381,11.97472315,8.807939841,9.765871124,6.143337884,5.800147904,0.026069729,0.934935504,6.60E-13,9.16E-47,2.45E-102,1.27E-179,1.26E-278,0,0,0,0,0,0,0,0,0,0,0,0,0.427425031,6.522667268,0.674944612,6.756573561,0.852607223,2.151959771,1.200971686,1.33688221,0.569634207,0.249677484,0.080147897,2.79E-04,0.006584827,4.65E-15,6.45E-49,1.73E-104,8.93E-182,8.90E-281,0,0,0,0,0,0,0,0,0,0,0,0,1.417912608,6.552056574,2.210121915,7.831349357,3.10255621,4.396824764,2.111361122,2.080625853,1.964245975,0.981060516,0.526659584,0.002158156,0.068618976,4.84E-14,6.72E-48,1.80E-103,9.31E-181,9.27E-280,0,0,0,0,0,0,0,0,0,0,0,0,5.434259433,6.914182263,8.475768952,15.92100811,16.03053961,16.2312023,10.85924018,8.07418367,9.032178751,5.615682067,5.19488566,0.023293263,0.833010702,5.88E-13,8.16E-47,2.19E-102,1.13E-179,1.13E-278,0,0,0,0,0,0,0,0,0,0,0,0,2.129425833,6.590160505,3.315752554,8.864393866,4.984894294,6.200465831,3.118975319,2.823154367,3.064878233,1.623171333,1.04727417,0.004453348,0.149049586,1.05E-13,1.46E-47,3.91E-103,2.02E-180,2.01E-279,0,0,0,0,0,0,0,0,0,0,0,0,7.200815129,7.165503974,11.24705188,20.89287363,23.15819203,22.47133663,16.6225193,11.83852124,12.67622683,8.286455687,8.330794762,0.037709482,1.363515566,9.62E-13,1.34E-46,3.58E-102,1.85E-179,1.84E-278,0,0,0,0,0,0,0,0,0,0,0,0,3.654735808,6.141831075,5.189517117,11.86997331,8.837137873,10.31606385,5.674928835,4.868606607,5.638815644,3.232310894,2.444678472,0.011021885,0.377338675,2.66E-13,3.70E-47,9.90E-103,5.12E-180,5.10E-279,0,0,0,0,0,0,0,0,0,0,0,0,3.615945384,1.396271638,1.007648627,0.600668785,0.231943987,0.51828912,0.54501318,0.433491251,6.019865648,10.09939558,21.20671992,0.401003177,1.496793551,2.9156181,0.851050302,0.483862966,0.685942026,0.200222096,0.3375202,0.199222992,0.099103408,4.250531368,4.303889009,9.755047779,0.52891304,0.6358466,3.19373212,1.067185225,0.692336168,0.644774614,0.215451364,0.404700849,0.315254621,0.203750414,4.953253513,6.358290918,13.67123638,0.46716192,0.923705884,3.598604036,1.382733555,0.994724325,0.602169805,0.23137872,0.513348424,0.534278494,0.422386214,5.976061916,9.930968226,20.85668941,0.403254707,1.470013131,3.317713532,1.163703327,0.785068838,0.629967254,0.220963921,0.436605425,0.375939617,0.262388317,5.266485697,7.379055001,15.67656138,0.444950881,1.074933358,3.670237491,1.438668042,1.048097904,0.596107754,0.233663674,0.533909895,0.579349263,0.469176334,6.157003436,10.63488656,22.3261125,0.394161631,1.582435491,3.609648988,1.384978044,0.999360847,0.602211593,0.231061202,0.516490711,0.536745809,0.426588194,5.993987878,9.990719292,20.98079645,0.403317389,1.479824714 +UMLS0162,L,Isopropylcyclohexane,CC(C)C1CCCCC1,12763,,"Sandia, UML",[1],C9H18,PubChem,,1.7,0,0.6042,0.36505764,27.4928,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,935.269613,821.316052,390.555817,82.888848,6.096384,0,0,2914.106344,3494.423905,4316.776942,4309.23574,3100.852524,1257.525459,186.5024666,0,0,125.864664,123.114164,212.450036,259.455568,250.270948,183.394368,40.310784,0,0,22.06875486,27.30703172,36.43165651,38.53752256,31.06004837,15.34920546,2.667677429,0,0,2979.777961,2471.442353,4716.396308,6005.352959,5994.805195,4833.801083,1109.505912,0,0,37.02777778,40.66666667,53.66666667,66.16666667,64,35,6,0,0,48.76541633,50.97680359,31.17565377,22.19773114,10.84877269,3.069957333,1.016064,0,0,161.8947969,205.5543474,143.8925647,116.4658308,86.13479232,46.57501701,31.08374443,0,0,6.992481333,7.242009647,7.081667867,7.012312649,6.951970778,6.792384,6.718464,0,0,1.226041937,1.606295984,1.21438855,1.041554664,0.862779121,0.568489091,0.444612905,0,0,165.54322,145.3789619,157.2132103,162.3068367,166.5223665,179.0296697,184.917652,0,0,2.057098765,2.392156863,1.788888889,1.788288288,1.777777778,1.296296296,1,0,0,0.043858197,-0.010671129,-0.009854008,0.002461082,-0.019263152,0.008060485,0.007337624,0,0,484.264036,-53.80711511,-80.71067267,-107.6142302,-242.132018,161.4213453,80.71067267,0,0,900.5096538,-100.0566282,-150.0849423,-200.1132564,-450.2548269,300.1698846,150.0849423,0,0,0.094864,-0.010540444,-0.015810667,-0.021080889,-0.047432,0.031621333,0.015810667,0,0,4.025697139,-0.447299682,-0.670949523,-0.894599364,-2.01284857,1.341899046,0.670949523,0,0,21.86765075,-2.429738973,-3.644608459,-4.859477945,-10.93382538,7.289216918,3.644608459,0,0,5.470679012,-1.470764746,-0.5468107,1.05409808,-2.645061728,0.243055556,0.630144033,0,0,0.002436567,-6.28E-04,-3.28E-04,6.65E-05,-5.35E-04,2.99E-04,0.001222937,0,0,26.90355756,-3.165124418,-2.690355756,-2.908492709,-6.725889389,5.978568346,13.45177878,0,0,50.0283141,-5.885684011,-5.00283141,-5.408466389,-12.50707852,11.11740313,25.01415705,0,0,0.005270222,-6.20E-04,-5.27E-04,-5.70E-04,-0.001317556,0.00117116,0.002635111,0,0,0.223649841,-0.026311746,-0.022364984,-0.024178361,-0.05591246,0.049699965,0.111824921,0,0,1.214869486,-0.142925822,-0.121486949,-0.131337242,-0.303717372,0.269970997,0.607434743,0,0,0.303926612,-0.086515573,-0.018227023,0.028489137,-0.073473937,0.009002058,0.105024005,0,0,-0.257622144,-0.134807288,0.027298958,-0.219607207,0.122523426,0.501910106,0,0,-0.117647059,-0.1,-0.108108108,-0.25,0.222222222,0.5,0,0,-0.117647059,-0.1,-0.108108108,-0.25,0.222222222,0.5,0,0,-0.117647059,-0.1,-0.108108108,-0.25,0.222222222,0.5,0,0,-0.117647059,-0.1,-0.108108108,-0.25,0.222222222,0.5,0,0,-0.117647059,-0.1,-0.108108108,-0.25,0.222222222,0.5,0,0,-0.284659421,-0.059971791,0.093736896,-0.241748942,0.029619182,0.345557123,0,0,1.53095184,1.023289939,0.912751422,1.241211656,0.620740314,0.176618311,0,0,1.5,1.204166667,1.091216216,1.121527778,0.393518519,0,0,0,1.5,1.204166667,1.091216216,1.121527778,0.393518519,0,0,0,1.5,1.204166667,1.091216216,1.121527778,0.393518519,0,0,0,1.5,1.204166667,1.091216216,1.121527778,0.393518519,0,0,0,1.5,1.204166667,1.091216216,1.121527778,0.393518519,0,0,0,1.624823695,0.797009873,0.747707086,1.44583921,0.805641749,0,0,0,19.66433592,9.83216796,14.7814799,19.66433592,3.27738932,9.832308265,-7.11E-15,0.108897205,0.018149534,-1.330410549,30.9395939,5.156598984,2.059222032,19.66433592,9.83216796,14.7814799,19.66433592,3.27738932,9.832308265,-7.11E-15,0.108897205,0.018149534,-1.330410549,30.9395939,5.156598984,2.059222032,19.66433592,9.83216796,14.7814799,19.66433592,3.27738932,9.832308265,-7.11E-15,0.108897205,0.018149534,-1.330410549,30.9395939,5.156598984,2.059222032,19.66433592,9.83216796,14.7814799,19.66433592,3.27738932,9.832308265,-7.11E-15,0.108897205,0.018149534,-1.330410549,30.9395939,5.156598984,2.059222032,19.66433592,9.83216796,14.7814799,19.66433592,3.27738932,9.832308265,-7.11E-15,0.108897205,0.018149534,-1.330410549,30.9395939,5.156598984,2.059222032,19.66433592,9.83216796,14.7814799,19.66433592,3.27738932,9.832308265,-7.11E-15,0.108897205,0.018149534,-1.330410549,30.9395939,5.156598984,2.059222032,29.6708735,14.63057564,22.66993387,29.39772535,4.899620891,14.63057668,-0.409722222,0.163301409,0.027216902,-1.087294589,18.12863909,3.021439849,1.738495775,0,11.79,12.21003864,-0.305446688,0.114839642,5.285153436,7.810753398,5,17,16,16,4,1,1,0,0,1,13.118484,3.510570633,2.923746169,2.591993864,1.830190102,1.29672581,0.791796115,0.083923071,0.083923071,1.885714227,1.511756778,1.344763099,0.882680806,0.533106724,0.283462637,0.083923071,0.083923071,3.534745521,2.96384696,2.648249794,1.914269465,1.399394587,0.92617065,0.270913902,0.270913902,1.82870653,1.427851139,1.246490786,0.753351048,0.386909979,0.117884083,0.270913902,0.270913902,3.643014978,3.140516132,2.887539852,2.261918794,1.817235022,1.449608743,0.943918427,0.943918427,1.665010837,1.175663166,0.933429077,0.326660436,0.10631946,0.458121096,0.943918427,0.943918427,3.55266112,2.993441339,2.689321671,1.975123423,1.473367801,1.021472754,0.399277246,0.399277246,1.792745992,1.373896328,1.181813881,0.667148642,0.288666889,0.005452905,0.399277246,0.399277246,3.696893224,3.22609567,2.998283769,2.417134684,1.999773964,1.668440407,1.207644823,1.207644823,1.615279038,1.095806556,0.828338588,0.177483154,0.283129654,0.673024903,1.207644823,1.207644823,3.566591033,3.091050043,2.747720566,1.989051712,1.539447649,1.075255501,0.507042254,0.507042254,1.854087453,1.301672875,1.045272553,0.625732981,0.217553853,0.077456731,0.507042254,0.507042254,0,0,1,1,0,2,1,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.23570226,0,0,0,0.577350269,0.288675135,0,0.402368927,0.166666667,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.568914101,2.434286965,1.621234435,1.046319478,0.166666667,0,0,0,0.761485683,0.486857393,0.324246887,0.261579869,0.166666667,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,29,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,4,1,0,2,0,0,0,0,0,0,0,0,2,1,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.603657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0.316319444,0,0,1.002708333,0.290277778,0,0.697291667,0,0,0,0,0,0,0,0,4.318796296,3.631435185,1.211805556,0,1.972222222,0,0.699074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.972222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0.316319444,0,0,0.225625,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.159074074,3.631435185,1.211805556,0,1.972222222,0,0.699074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.631435185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0.316319444,0,0,0.290277778,0.290277778,0,0.380972222,0,0,0,0,0,0,0,0,2.159722222,3.631435185,1.211805556,0,1.972222222,0,0.699074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.972222222,0.380972222,3.631435185,0.225625,0.699074074,4.45393537,0.634259259,0.631435185,1.900462963,0.634259259,0.631435185,1.900462963,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.47858,0.74643,5.73058,1.25199,0.20867,2.27005,0.37834,2.80805,0.53801,0.08967,0.10595,0.01766,0.10595,0.01766,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.209690973,3.086048612,3.419381946,3.187719446,2.261069445,16.52932501,39.77443751,55.54887502,61.54887502,57.37895002,40.69925001,0.220218789,0.529911443,0.74007293,0.820010419,0.764454863,0.542232641,3.251629167,1.960234029,1.083876389,0.750543056,0.982205556,1.908855556,0.220218789,0.529911443,0.74007293,0.820010419,0.764454863,0.542232641,6.73287657,16.28447751,18.38904545,18.72498713,15.94503712,7.371711855,23.69925001,15.57894792,13.38195556,12.79699306,11.40701806,7.005430558,6,3.2,3,6,2,5,2.12,0.911,0.908560296,3.301927249,1.889881575,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.126,0.12,0.128,0.152,2.433,5,4,1,0,0,0,0,0,0,21,1.945910149,1.945910149,1.945910149,1.098612289,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,0,109.6959078,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,84.09390038,4.671883355,10.6758508,1.779308466,0,0,0,31,4,3.323,20,1.219,2.123631498,2.899970269,3.556163718,4.192301734,5.88270204,0,0,0,0,72.30904117,74.80740243,71.75925488,44.84780399,15.37461283,5.977201766,0,0,0,0,274.3286679,330.0828365,358.8256165,326.9785185,214.1458873,182.8564068,0,0,0,0,8.860546952,15.09415609,20.38319406,24.78034926,28.56585796,39.52272188,0,0,0,0,2.086978642,2.728313977,3.149069318,3.202767769,2.534326866,2.615525242,0,0,0,0,175.1912326,329.8894697,467.2561589,587.8451146,743.3668536,1087.815449,0,0,0,0,2.981019608,3.943223889,5.358752492,6.563400761,5.788272837,5.88270204,0,0,0,0,0.432999265,0.575327332,0.671451208,0.694686021,0.567188732,0.602388689,0,0,0,0,321.0130424,125.3539833,10.03705425,167.6842096,-65.47984297,-10.56554275,153.3288329,190.8338263,20.602597,0.656875072,0.256506422,0.020538389,0.343124928,-0.133988564,-0.021619812,156.8781917,61.26014717,4.905080829,81.94681243,-31.99981932,-5.163351708,0.145708114,0.26217034,3.239478739,5.870371394,488.697252,0,1,0,331.0578085,18.19499405,6.917799096,447.9391783,21.16457366,7.651378443,507.5585236,22.52905954,7.976800096,1.614441754,1.548464708,286.6491871,243.4177611,68.23540586,1.177601773,4.20088638,3.567323416,3.545600309,3.477616438,6.522108179,0.875453575,3.591793317,3.914856144,2.809144108,14.96129676,6.573278713,4.901360619,7.067919348,5.863633837,2.078803188,0.660501497,0.648627375,1.904596213,2.41E-10,5.90E-42,2.78E-95,2.53E-170,4.43E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0.301445031,3.914691781,0.175374784,5.052814874,1.622400242,0.248048757,0.511868237,0.194811722,0.795558644,0.055423534,0.035200744,0.013414227,1.70E-12,4.15E-44,1.96E-97,1.78E-172,3.12E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0.973075264,3.914703164,0.605915445,6.252938337,1.979903641,0.901204746,1.662821003,0.824763852,0.91557315,0.178919051,0.126306161,0.139786586,1.77E-11,4.33E-43,2.04E-96,1.85E-171,3.25E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390360553,3.91483824,2.610029593,14.06376556,6.039152668,4.511531171,6.600310185,5.330095444,1.950036198,0.623454177,0.599007543,1.696960936,2.15E-10,5.25E-42,2.48E-95,2.25E-170,3.95E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.434128364,3.91471756,0.93325876,7.320975706,2.419230433,1.437667526,2.508520423,1.413735505,1.040099242,0.263698947,0.198974555,0.303635145,3.85E-11,9.40E-43,4.43E-96,4.03E-171,7.06E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,4.337608177,3.914931338,3.58938207,18.61479249,8.813231995,6.463894428,8.874490243,8.050839879,2.612576442,0.797676588,0.84604765,2.777674579,3.52E-10,8.60E-42,4.05E-95,3.69E-170,6.46E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.912741976,2.662718092,1.21642766,7.657325299,3.468187565,2.023463177,3.984458376,1.950889117,1.599300597,0.509376446,0.269193729,0.489656158,6.20E-11,1.52E-42,7.15E-96,6.50E-171,1.14E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,3.441537837,1.187285226,0.499320226,0.671107971,0.231523411,0.462444258,0.463783849,0.440702358,5.128143289,6.397352005,13.56576119,0.506661956,1.366930465,2.772386541,0.669255635,0.148658892,0.772187761,0.18640655,0.298954985,0.147425989,0.038108327,3.590301068,2.367066026,6.233194052,0.658281641,0.484489302,3.037639513,0.874236184,0.289206384,0.723061215,0.208097858,0.359334732,0.251192766,0.146967702,4.201082081,3.786953802,8.756056515,0.584591822,0.757495199,3.42492227,1.174397969,0.490750409,0.672863405,0.230723314,0.457934154,0.453734188,0.425738435,5.090070648,6.279340047,13.34331767,0.509295108,1.337406778,3.156098789,0.96597949,0.351254039,0.705536402,0.215941813,0.388170659,0.306694292,0.217624934,4.473332319,4.496623344,10.04083323,0.558304603,0.912489885,3.493571533,1.22764471,0.526122319,0.665779708,0.233955689,0.476718107,0.495979263,0.489101672,5.247338561,6.772801847,14.2766078,0.498669561,1.461799042,3.448872411,1.172353551,0.489807695,0.674789611,0.229376997,0.46420991,0.452014046,0.424231326,5.111033657,6.306809854,13.3982819,0.512184416,1.340455282 +UMLS0163,L,3-Methyl-1-Pentene,CCC(C)C=C,12969,,"Sandia, UML",[1],C6H12,PubChem,,14.8,0,1.1257,1.26720049,29.6281,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,924.178589,807.176836,398.598649,97.028064,9.144576,0,0,2914.106344,3494.423905,4233.124071,4132.331635,3091.254162,1434.429565,279.7536999,0,0,125.864664,123.114164,212.050868,238.901008,230.514724,203.948928,60.466176,0,0,22.06875486,27.30703172,35.7627251,36.53475244,30.39514106,17.35197558,4.001516144,0,0,2979.777961,2471.442353,4748.191412,5482.395107,5408.257135,5356.758935,1664.258868,0,0,36.27777778,40,53.91666667,64,59,36,9,0,0,48.76541633,50.97680359,30.80595297,23.74049518,12.07874694,3.2342688,1.016064,0,0,161.8947969,205.5543474,141.1041357,121.5391657,93.67436856,47.81431882,31.08374443,0,0,6.992481333,7.242009647,7.068362267,7.026500235,6.985294667,6.7982976,6.718464,0,0,1.226041937,1.606295984,1.192090837,1.074551542,0.921064881,0.578399186,0.444612905,0,0,165.54322,145.3789619,158.2730471,161.2469149,163.8865798,178.5586312,184.917652,0,0,2.015432099,2.352941176,1.797222222,1.882352941,1.787878788,1.2,1,0,0,0.038592396,-0.00617557,-0.00451563,-0.009604246,-0.018787068,0.014909591,0.004876724,0,0,484.264036,-53.80711511,-40.35533633,-107.6142302,-322.8426907,161.4213453,121.066009,0,0,900.5096538,-100.0566282,-75.04247115,-200.1132564,-600.3397692,300.1698846,225.1274134,0,0,0.094864,-0.010540444,-0.007905333,-0.021080889,-0.063242667,0.031621333,0.023716,0,0,4.025697139,-0.447299682,-0.335474762,-0.894599364,-2.683798093,1.341899046,1.006424285,0,0,21.86765075,-2.429738973,-1.822304229,-4.859477945,-14.57843384,7.289216918,5.466912688,0,0,5.160493827,-1.611454047,0.155349794,0.499314129,-3.599794239,1.08436214,0.891975309,0,0,0.002144022,-3.63E-04,-1.51E-04,-2.82E-04,-5.69E-04,4.97E-04,5.42E-04,0,0,26.90355756,-3.165124418,-1.345177878,-3.165124418,-9.783111838,5.380711511,13.45177878,0,0,50.0283141,-5.885684011,-2.501415705,-5.885684011,-18.19211422,10.00566282,25.01415705,0,0,0.005270222,-6.20E-04,-2.64E-04,-6.20E-04,-0.001916444,0.001054044,0.002635111,0,0,0.223649841,-0.026311746,-0.011182492,-0.026311746,-0.081327215,0.044729968,0.111824921,0,0,1.214869486,-0.142925822,-0.060743474,-0.142925822,-0.441770722,0.242973897,0.607434743,0,0,0.286694102,-0.094791415,0.005178326,0.01468571,-0.109084674,0.036145405,0.099108368,0,0,-0.169433346,-0.070204963,-0.131751361,-0.26553137,0.231800966,0.252729809,0,0,-0.117647059,-0.05,-0.117647059,-0.363636364,0.2,0.5,0,0,-0.117647059,-0.05,-0.117647059,-0.363636364,0.2,0.5,0,0,-0.117647059,-0.05,-0.117647059,-0.363636364,0.2,0.5,0,0,-0.117647059,-0.05,-0.117647059,-0.363636364,0.2,0.5,0,0,-0.117647059,-0.05,-0.117647059,-0.363636364,0.2,0.5,0,0,-0.330636082,0.018062201,0.051224317,-0.380491518,0.126076555,0.34569378,0,0,1.459660835,1.055742681,1.176552807,1.34679953,0.402210182,0,0,0,1.5,1.133333333,1.125,1.287878788,0.425,0,0,0,1.5,1.133333333,1.125,1.287878788,0.425,0,0,0,1.5,1.133333333,1.125,1.287878788,0.425,0,0,0,1.5,1.133333333,1.125,1.287878788,0.425,0,0,0,1.5,1.133333333,1.125,1.287878788,0.425,0,0,0,1.679425837,0.707655502,1.122308612,1.672085689,0.329425837,0,0,0,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,27.25284414,13.45049614,21.08763991,27.01827624,4.50304604,13.45049955,-0.351851852,2.22E-16,3.70E-17,-21.62619203,3000004.126,500000.6876,8.948474533,0,11.89,12.11007471,-0.159022962,0.062659336,5.366457677,7.685504018,5,17,16,16,4,1,1,0,0,1,13.118484,3.524328477,2.902564078,2.573034865,1.726226086,1.598026915,0.406593768,0.083923071,0.083923071,1.876003719,1.563026335,1.280443227,0.821967038,0.769718516,0.083923071,0.083923071,0.083923071,3.546132746,2.950308951,2.624263942,1.814059153,1.695309721,0.522690739,0.270913902,0.270913902,1.820965457,1.473453684,1.185260743,0.688178674,0.630337185,0.270913902,0.270913902,0.270913902,3.645373871,3.155598408,2.844992109,2.177235683,2.090117344,0.962616277,0.943918427,0.943918427,1.665838607,1.195492746,0.887865308,0.244758745,0.162386152,0.943918427,0.943918427,0.943918427,3.562376937,2.985267979,2.661820526,1.877656929,1.765276817,0.60441669,0.399277246,0.399277246,1.786494477,1.415133181,1.123102496,0.598842374,0.536857124,0.399277246,0.399277246,0.399277246,3.695672244,3.252217518,2.948765265,2.339024069,2.26277616,1.207644823,1.207644823,1.207644823,1.619710405,1.104407163,0.789944771,0.089099207,0.004703131,1.138227275,1.207644823,1.207644823,3.58984967,2.971222913,2.834627776,1.949815258,1.766170271,0.630759933,0.514285714,0.514285714,1.809181693,1.408678168,0.962193962,0.500143587,0.49081984,0.514285714,0.514285714,0.514285714,0,0,1,0,1,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.176776695,0,0,0,0.577350269,0.288675135,0,0.353553391,0.176776695,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.621320344,2.474873734,1.457106781,1,0.25,0,0,0,0.770220057,0.494974747,0.291421356,0.25,0.25,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,29,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,2,1,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.134259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,1.067361111,0.580555556,0,0.363194444,0,0,0,0,0,0,0,0,4.261574074,3.791666667,2.270833333,0,0,0,0,0,0,1.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.243402778,0.290277778,0,0.363194444,0,0,0,0,0,0,0,0,2.130787037,3.791666667,1.135416667,0,0,0,0,0,0,1.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.791666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.290277778,0.290277778,0,0.363194444,0,0,0,0,0,0,0,0,2.130787037,3.791666667,1.135416667,0,0,0,0,0,0,1.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.66666667,1.944444444,0.363194444,3.791666667,0.069444444,1.135416667,3.951986111,0.364583333,0.791666667,2.106481481,0.364583333,0.791666667,2.106481481,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.51663,0.75277,5.73058,1.21395,0.20232,2.30487,0.38414,2.80805,0.50319,0.08386,0.10595,0.01766,0.10595,0.01766,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.99107606,2.530493057,2.530493057,2.298830557,1.714954168,16.52932501,35.83936908,45.54887502,45.54887502,41.37895002,30.86917502,0.220218789,0.477484861,0.606843782,0.606843782,0.551288226,0.411267389,3.251629167,2.178848942,1.639431945,1.639431945,1.871094445,2.454970834,0.220218789,0.477484861,0.606843782,0.606843782,0.551288226,0.411267389,6.73287657,14.84279915,15.3864371,15.3864371,12.6064871,5.599970433,23.69925001,16.64860504,17.03625834,17.03625834,15.64628334,10.02974167,6,3.2,3,6,2,5,2.12,0.911,0.908560296,3.301927249,1.889881575,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.104,0.088,0.143,0.175,2.638,5,4,1,0,0,0,0,0,0,21,1.945910149,2.079441542,1.945910149,0.693147181,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,0,109.6959078,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,84.09390038,4.671883355,10.6758508,1.779308466,0,0,0,31,4,2.776,20,1.218176471,2.110641632,2.920231743,3.624818665,4.20956433,5.623149321,0,0,0,0,72.09694811,74.21656545,75.97776173,49.50282651,15.99596024,5.713479591,0,0,0,0,273.7619267,324.0813406,375.3190545,355.723339,219.2366275,174.7885364,0,0,0,0,8.854038609,14.97827854,20.57089328,25.35640978,28.70356723,37.77892628,0,0,0,0,2.083499297,2.676344453,3.266703144,3.436886715,2.578419397,2.500124754,0,0,0,0,175.1053983,329.7792162,467.0637944,591.481282,744.8280519,1039.819569,0,0,0,0,2.938117647,3.966175231,5.615582318,6.433007096,5.266164105,5.623149321,0,0,0,0,0.432308382,0.564455092,0.695362332,0.743339458,0.576447516,0.57581049,0,0,0,0,308.2486206,113.8802649,9.015344379,159.0987277,-58.77789566,-9.107771696,149.1498928,172.6581606,18.12311607,0.659570706,0.243673716,0.019290458,0.340429294,-0.125769186,-0.019488228,144.0591754,53.22163982,4.213297289,74.35436853,-27.46969368,-4.256492951,0.144650191,0.269229561,1.798376679,6.536451906,467.3473483,0,1,0,333.2330094,18.25467089,6.932917066,449.9020669,21.21089501,7.66253838,514.0541254,22.67276175,8.010684294,1.682558449,1.124205624,294.7152142,246.294061,61.82131638,1.196598948,4.767210268,3.983966622,3.510778589,3.19886722,6.397722307,0.999996207,3.510447354,3.996750848,4.017106173,5.615814589,7.850417139,8.673690574,2.412820275,10.26977523,3.620016362,1.876015069,0.361832119,0.702631956,3.53E-16,3.42E-53,6.38E-112,2.30E-192,1.60E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0.294594214,3.965537576,0.274083254,4.45981182,0.082938217,0.487493333,0.350381861,0.398762729,0.535396876,0.119964441,0.002548457,0.004948694,2.48E-18,2.41E-55,4.49E-114,1.62E-194,1.12E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0.950975814,3.96762373,0.926316058,4.639615374,0.646110938,1.732105226,0.594040483,1.592409945,0.741517736,0.411954175,0.026556542,0.05156921,2.59E-17,2.51E-54,4.68E-113,1.69E-193,1.17E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,3.313560064,3.993324053,3.748410572,5.525176936,7.013229274,8.021703459,2.223826137,9.374952516,3.281352328,1.745000398,0.322385933,0.626032423,3.14E-16,3.04E-53,5.69E-112,2.05E-192,1.42E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,1.401573849,3.970328157,1.407248562,4.779720316,1.336263876,2.713089012,0.813957148,2.655653566,1.008763835,0.632128622,0.057684251,0.112015216,5.62E-17,5.45E-54,1.02E-112,3.66E-193,2.55E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,4.239449476,4.011159963,5.056871571,5.973963637,11.36079426,11.25896606,3.183809264,13.9127719,5.044052832,2.387797846,0.527697998,1.024722673,5.14E-16,4.98E-53,9.31E-112,3.35E-192,2.33E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,1.900077255,2.927536004,2.057643692,4.710755695,2.17420155,4.473097078,0.911728357,3.311775594,1.364919054,0.863443477,0.095701053,0.185838983,9.33E-17,9.04E-54,1.69E-112,6.08E-193,4.22E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,3.899956611,1.18020692,0.369336683,0.715653997,0.216571589,0.568424556,0.508858724,0.444427299,5.449500214,6.479046528,13.62851329,0.573480996,1.521710579,2.848940616,0.655480827,0.079623165,0.794895412,0.182888579,0.303333289,0.156964303,0.020655452,3.584044607,2.146459076,5.879194047,0.692343118,0.480953044,3.266370054,0.863884999,0.194687971,0.75524002,0.199744828,0.398734718,0.272642011,0.123490649,4.324943023,3.625879064,8.500186391,0.632860029,0.794867378,3.873936416,1.16721618,0.362164193,0.716955264,0.216018462,0.560864894,0.497718186,0.427333418,5.403316789,6.347446226,13.38836855,0.575432896,1.485916498,3.452435536,0.956779316,0.24597709,0.741631189,0.205529509,0.445455614,0.334429414,0.197126567,4.655191943,4.387784752,9.855492872,0.612446784,0.977011595,3.981418893,1.220877457,0.391791836,0.711719008,0.218244228,0.592419065,0.544534074,0.500111225,5.594088186,6.899041813,14.39756138,0.567578512,1.637064364,3.868795597,1.170552395,0.361546704,0.716324945,0.216733053,0.559377316,0.500567475,0.425877455,5.400894696,6.350587608,13.38879281,0.574487418,1.485822246 +UMLS0164,L,2-Ethyl-1-Butene,CCC(=C)CC,12970,,"Sandia, UML",[9],C6H12,PubChem,,19.9,0,2.5849,6.68170801,34.0286,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1371.110168,1041.190084,652.078731,190.750896,18.289152,0,0,3399.790734,4147.41404,5680.578881,6178.394007,4399.966812,2000.802945,559.5073998,0,0,146.842108,144.889944,255.226976,327.505936,451.473132,167.230656,120.932352,0,0,25.74688067,32.32302034,46.13219522,55.2487354,45.74235268,20.70468079,8.003032287,0,0,3476.407621,2904.481805,5651.532332,7065.504846,11585.06369,3961.097084,3328.517736,0,0,42.8125,47.375,65.25,91.5,93.5,48,18,0,0,48.76541633,51.7541979,38.08639356,22.63456704,9.879980773,7.947954,1.016064,0,0,161.8947969,207.370702,157.7938578,134.3129132,66.66616381,83.36678939,31.08374443,0,0,6.992481333,7.2444972,7.089638222,7.119694261,6.840502,6.967944,6.718464,0,0,1.226041937,1.616151017,1.281449867,1.201059465,0.69306595,0.862695033,0.444612905,0,0,165.54322,145.2240902,156.9870092,153.5979314,175.531268,165.0457118,184.917652,0,0,2.038690476,2.36875,1.8125,1.989130435,1.416666667,2,1,0,0,0.047328423,-0.011361899,-0.001123275,-0.025073475,0.020197363,-0.028795145,0.022492219,0,0,564.9747087,-53.80711511,121.066009,-753.2996116,443.9086997,-282.4873543,242.132018,0,0,1050.594596,-100.0566282,225.1274134,-1400.792795,825.4671826,-525.297298,450.2548269,0,0,0.110674667,-0.010540444,0.023716,-0.147566222,0.086958667,-0.055337333,0.047432,0,0,4.696646663,-0.447299682,1.006424285,-6.26219555,3.690222378,-2.348323331,2.01284857,0,0,25.51225921,-2.429738973,5.466912688,-34.01634562,20.04534652,-12.75612961,10.93382538,0,0,6.142857143,-2.272959184,1.915816327,-5.24744898,5.908163265,-5.234693878,1.859693878,0,0,0.002253734,-5.68E-04,-3.12E-05,-5.45E-04,3.06E-04,-0.001199798,0.001249568,0,0,26.90355756,-2.690355756,3.362944694,-16.37607851,6.725889389,-11.77030643,13.45177878,0,0,50.0283141,-5.00283141,6.253539262,-30.45201728,12.50707852,-21.88738742,25.01415705,0,0,0.005270222,-5.27E-04,6.59E-04,-0.003207961,0.001317556,-0.002305722,0.002635111,0,0,0.223649841,-0.022364984,0.02795623,-0.136134686,0.05591246,-0.097846805,0.111824921,0,0,1.214869486,-0.121486949,0.151858686,-0.739485774,0.303717372,-0.5315054,0.607434743,0,0,0.292517007,-0.113647959,0.05321712,-0.114074978,0.089517625,-0.218112245,0.103316327,0,0,-0.252068284,-0.01384462,-0.241854376,0.135783814,-0.532359834,0.554443197,0,0,-0.1,0.125,-0.608695652,0.25,-0.4375,0.5,0,0,-0.1,0.125,-0.608695652,0.25,-0.4375,0.5,0,0,-0.1,0.125,-0.608695652,0.25,-0.4375,0.5,0,0,-0.1,0.125,-0.608695652,0.25,-0.4375,0.5,0,0,-0.1,0.125,-0.608695652,0.25,-0.4375,0.5,0,0,-0.388517442,0.181928295,-0.38997725,0.30602537,-0.745639535,0.353197674,0,0,1.541805653,0.901827926,1.227291789,0.581584642,2.021203139,0.186066534,0,0,1.5,1.011904762,1.770186335,0.454545455,1.339285714,0,0,0,1.5,1.011904762,1.770186335,0.454545455,1.339285714,0,0,0,1.5,1.011904762,1.770186335,0.454545455,1.339285714,0,0,0,1.5,1.011904762,1.770186335,0.454545455,1.339285714,0,0,0,1.5,1.011904762,1.770186335,0.454545455,1.339285714,0,0,0,1.75,0.565245478,1.34036906,0.373062016,2.848837209,0,0,0,25.28522245,12.64261122,19.04265796,25.28522245,3.612174635,12.6426203,5.33E-15,0.051037396,0.007291057,-2.08263766,21.45879418,3.065542026,2.146294183,25.28522245,12.64261122,19.04265796,25.28522245,3.612174635,12.6426203,5.33E-15,0.051037396,0.007291057,-2.08263766,21.45879418,3.065542026,2.146294183,25.28522245,12.64261122,19.04265796,25.28522245,3.612174635,12.6426203,5.33E-15,0.051037396,0.007291057,-2.08263766,21.45879418,3.065542026,2.146294183,25.28522245,12.64261122,19.04265796,25.28522245,3.612174635,12.6426203,5.33E-15,0.051037396,0.007291057,-2.08263766,21.45879418,3.065542026,2.146294183,25.28522245,12.64261122,19.04265796,25.28522245,3.612174635,12.6426203,5.33E-15,0.051037396,0.007291057,-2.08263766,21.45879418,3.065542026,2.146294183,25.28522245,12.64261122,19.04265796,25.28522245,3.612174635,12.6426203,5.33E-15,0.051037396,0.007291057,-2.08263766,21.45879418,3.065542026,2.146294183,39.743938,19.63982614,30.23433399,39.41230535,5.630329335,19.63982615,-0.464285714,0.009633875,0.001376268,-3.249728842,18.78611619,2.683730885,2.053182668,0,11.79,12.21004853,-0.306698538,0.113536538,5.285170073,8.669503307,6,20,19,19,5,1,1,0,0,1,15.304898,3.571990513,3.086096242,2.333552793,2.333552793,2.081602508,0.968947737,0.462532469,0.083923071,1.924371986,1.567242636,1.249629723,1.249629723,0.985587762,0.358274801,0.083923071,0.083923071,3.594507583,3.117441122,2.405454588,2.405454588,2.149106565,1.087479385,0.568708837,0.270913902,1.870385549,1.495994651,1.134540686,1.134540686,0.86837619,0.198831496,0.270913902,0.270913902,3.695651842,3.258166219,2.704236987,2.704236987,2.437463642,1.565243433,0.966353878,0.943918427,1.716263563,1.286682201,0.76031856,0.76031856,0.492763459,0.348503915,0.943918427,0.943918427,3.611209759,3.140712048,2.457539916,2.457539916,2.198508613,1.17271113,0.643019113,0.399277246,1.836415191,1.45056785,1.058262671,1.058262671,0.791052675,0.091015967,0.399277246,0.399277246,3.746179623,3.327894888,2.838982085,2.838982085,2.570835787,1.770550101,1.207644823,1.207644823,1.6696926,1.222140369,0.631337262,0.631337262,0.366077787,0.548585918,1.124443729,1.207644823,3.58319263,3.270969672,2.514291495,2.514291495,2.242408973,1.273086931,0.560198167,0.509090909,1.914073143,1.332855862,0.987018768,0.987018768,0.699154765,0.016227396,0.509090909,0.509090909,0,0,1,1,0,3,1,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.560660172,0.353553391,0,0,0.75,1,0.25,0.612372436,0.637136847,0.144337567,5.914213562,3.060660172,3.310660172,1,0.75,0,0,0,0.844887652,0.510110029,0.413832521,0.25,0.25,0,0,0,5.491563832,2.670049972,3.053459452,0.756710003,0.433012702,0,0,0,0.784509119,0.445008329,0.381682431,0.189177501,0.144337567,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,4,1,0,2,0,0,0,0,0,0,0,0,3,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.604375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.376597222,0.312847222,0,0,0.967152778,0.290277778,0,0.689444444,0,0,0,0,0,0,0,0,6.609166667,3.646041667,1.104166667,0,1.958333333,0,0,0,0,0,0,0,0.432291667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.958333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.376597222,0.312847222,0,0,0.225625,0.290277778,0,0.312847222,0,0,0,0,0,0,0,0,2.203055556,3.646041667,1.104166667,0,1.958333333,0,0,0,0,0,0,0,0.432291667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.646041667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.376597222,0.312847222,0,0,0.290277778,0.290277778,0,0.376597222,0,0,0,0,0,0,0,0,2.203055556,3.646041667,1.104166667,0,1.958333333,0,0,0,0,0,0,0,0.432291667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.75,1.964285714,0.376597222,3.646041667,0.043402778,0.432291667,5.201054375,0.817708333,0.646041667,2.510416667,0.817708333,0.646041667,2.510416667,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0,0.14286,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.4148,0.9164,7.77542,1.36063,0.19438,2.49578,0.35654,3.06066,0.56488,0.0807,0.35334,0.05048,0.35334,0.05048,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.127387765,2.616878732,2.616878732,2.407720759,1.666326964,19.28421252,44.67514307,54.95445336,54.95445336,50.56213594,34.99286625,0.209068641,0.484342902,0.595785432,0.595785432,0.548166384,0.379373074,3.474021589,2.264929658,1.775438691,1.775438691,1.984596664,2.725990459,0.209068641,0.484342902,0.595785432,0.595785432,0.548166384,0.379373074,6.73287657,15.74885826,16.24217951,16.24217951,13.73228384,8.386886556,27.64912502,18.81705526,18.45511557,18.45511557,17.20016773,14.04411636,7,2.34375,6,7,2,5,2.23,1.0519,2.121320344,3.746748298,0,3.039342743,1,0,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.159,0.147,0.088,0.146,2.748,8,4,3,0,0,0,0,0,0,28,2.079441542,2.302585093,1.791759469,1.945910149,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,3,0.666666667,0.375,0,0,0,0,0,0,0,0.5,0.083333333,0.09375,0,0,0,0,0,0,0,0.677083333,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,0,126.9918924,3.807354922,3.36729583,3.970291914,4.812184355,5.433722004,6.285998095,6.91274282,7.767687277,8.395929104,9.25157828,69.19742968,2.564949357,0,3.80666249,0,5.198497031,0,6.650279049,0,8.123557835,8.386628821,98.10955045,4.671883355,12.44898539,1.778426484,0,0,0,46,4,3.933,28,1.2236,2.128188124,2.970473092,3.44893478,4.331238695,5.292209298,0,0,0,0,73.7959167,92.45740652,71.55148762,40.71533997,37.91829455,5.377223348,0,0,0,0,278.2003652,367.6302961,409.6035711,249.780336,387.4331452,164.5016813,0,0,0,0,8.897867644,15.15715904,21.16611167,23.6410227,30.3055715,35.55551765,0,0,0,0,2.110244062,2.919058182,3.627428368,2.514217988,3.94725971,2.352984549,0,0,0,0,175.6104775,329.1751612,455.1187844,601.8497258,704.8365256,978.6229174,0,0,0,0,2.94860625,4.05651428,5.975052415,5.116002123,9.120423327,5.292209298,0,0,0,0,0.43759575,0.611536828,0.772251791,0.550477804,0.859351058,0.541922232,0,0,0,0,348.0904295,152.1005579,10.46954152,120.9515135,-52.85061331,-7.64113451,227.138916,204.9511712,18.11067603,0.742130709,0.324279225,0.02232112,0.257869291,-0.112677798,-0.016290941,163.2690114,71.34154122,4.910654099,56.73133291,-24.78915435,-3.584012578,0.129639694,0.234836511,1.580210459,6.055939105,469.041943,0,1,0,393.1393776,19.82774263,7.32569526,529.3948196,23.00858143,8.089590956,657.1045344,25.63405029,8.693836893,1.544623655,1.281441922,322.5246562,317.8674282,116.173385,1.014651479,2.776235332,2.736146735,3.824577987,3.477616438,6.522110511,0.875454245,4.149594424,4.863415982,3.404129819,16.62774704,3.827229293,6.771185468,5.777380884,4.809792209,3.744880806,1.939333375,0.713258269,1.904596212,2.41E-10,5.90E-42,2.78E-95,2.53E-170,4.43E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348257413,4.863167282,0.194248329,8.295762281,0.811714195,0.389099397,0.401149427,0.309668544,0.864872204,0.064430472,0.035655945,0.013414227,1.70E-12,4.15E-44,1.96E-97,1.78E-172,3.12E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,1.124191339,4.86318438,0.687307528,9.694762114,1.033665749,1.36699113,0.955649968,1.061561893,1.185786022,0.272778128,0.131049703,0.139786586,1.77E-11,4.33E-43,2.04E-96,1.85E-171,3.25E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,3.916879296,4.863388847,3.150261275,16.01092474,3.503386278,6.265565312,5.256190779,4.475332768,3.47412808,1.762870371,0.656592506,1.696960935,2.15E-10,5.25E-42,2.48E-95,2.25E-170,3.95E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.656845653,4.863206114,1.073921729,10.74472327,1.302890393,2.134731333,1.497496321,1.627203204,1.485348457,0.467573355,0.209278162,0.303635144,3.85E-11,9.40E-43,4.43E-96,4.03E-171,7.06E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,5.011233796,4.863529977,4.409220899,19.03276235,5.184365492,8.773744882,7.92518417,6.115095413,4.854586561,2.662732628,0.940305734,2.777674578,3.52E-10,8.60E-42,4.05E-95,3.69E-170,6.46E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,2.26555339,3.190555999,1.355599262,10.79897481,1.637321154,3.216563717,2.184296857,2.481142198,2.420453071,0.844940477,0.288124044,0.493620969,6.25E-11,1.53E-42,7.20E-96,6.55E-171,1.15E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,3.237124687,1.205295638,1.028264292,0.591722045,0.220318977,0.409879533,0.491408057,0.408096509,5.470684617,8.469674457,17.95232991,0.387583067,1.309384099,2.690799754,0.616012449,0.568244257,0.694389819,0.158968638,0.283470647,0.128534574,0.124630254,3.87505646,3.536643189,8.353602093,0.541584729,0.536635474,2.907754366,0.850084523,0.750949283,0.644908178,0.188539468,0.330896964,0.244656478,0.217657975,4.508788172,5.293783401,11.65879578,0.467362267,0.793211418,3.223596371,1.190709496,1.016875492,0.593535026,0.21923582,0.406469698,0.479605035,0.39910662,5.43118136,8.327166264,17.66148877,0.390302539,1.285181353,3.004471714,0.954408332,0.832388433,0.627072293,0.199197423,0.353216665,0.308317299,0.267427118,4.79126848,6.162818798,13.34095515,0.44060844,0.928961082,3.279479188,1.250959997,1.063919584,0.586211811,0.223610971,0.420646874,0.529282928,0.436888866,5.594358769,8.92252025,18.88160621,0.379317717,1.386818669,3.251361799,1.188793008,1.016106066,0.595895591,0.217876864,0.413531162,0.478121732,0.398502875,5.456260872,8.376864404,17.76057455,0.393843387,1.290155769 +UMLS0165,L,"4,4-Dimethyl-1-Pentene",CC(C)(C)CC=C,12984,,"Sandia, UML",[9],C7H14,PubChem,,19,0,0.9796,0.95961616,28.1049,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,924.178589,697.201851,456.166706,143.338608,15.24096,0,0,2914.106344,3494.423905,4233.124071,3990.857093,2907.715577,1572.940224,466.2561665,0,0,125.864664,123.114164,212.050868,239.27646,248.298824,145.478592,100.77696,0,0,22.06875486,27.30703172,35.7627251,36.19725956,28.72181563,16.69511646,6.669193573,0,0,2979.777961,2471.442353,4748.191412,5445.13309,6159.247629,3533.524545,2773.76478,0,0,36.27777778,40.08333333,54.16666667,63.16666667,54.5,35,15,0,0,48.76541633,50.97680359,30.80595297,20.50593679,12.67129739,6.825648,1.016064,0,0,161.8947969,205.5543474,141.1041357,117.3781498,80.76987715,74.90191545,31.08374443,0,0,6.992481333,7.242009647,7.068362267,7.037542941,6.897189556,6.927552,6.718464,0,0,1.226041937,1.606295984,1.192090837,1.064625281,0.797828212,0.795005546,0.444612905,0,0,165.54322,145.3789619,158.2730471,160.1509732,171.0902119,168.2630736,184.917652,0,0,2.015432099,2.357843137,1.805555556,1.857843137,1.513888889,1.666666667,1,0,0,0.039124775,-0.004409176,-0.00832854,-0.018822097,0.011110003,-0.012156049,0.013043472,0,0,484.264036,-53.80711511,-40.35533633,-269.0355756,80.71067267,-161.4213453,201.7766817,0,0,900.5096538,-100.0566282,-75.04247115,-500.283141,150.0849423,-300.1698846,375.2123557,0,0,0.094864,-0.010540444,-0.007905333,-0.052702222,0.015810667,-0.031621333,0.039526667,0,0,4.025697139,-0.447299682,-0.335474762,-2.236498411,0.670949523,-1.341899046,1.677373808,0,0,21.86765075,-2.429738973,-1.822304229,-12.14869486,3.644608459,-7.289216918,9.111521147,0,0,5.160493827,-1.528120713,1.062757202,-2.963648834,1.688271605,-2.326131687,1.486625514,0,0,0.002173599,-2.59E-04,-2.78E-04,-5.54E-04,3.09E-04,-5.79E-04,8.70E-04,0,0,26.90355756,-3.165124418,-1.345177878,-7.912811046,2.24196313,-7.68673073,13.45177878,0,0,50.0283141,-5.885684011,-2.501415705,-14.71421003,4.169026175,-14.29380403,25.01415705,0,0,0.005270222,-6.20E-04,-2.64E-04,-0.001550065,4.39E-04,-0.001505778,0.002635111,0,0,0.223649841,-0.026311746,-0.011182492,-0.065779365,0.018637487,-0.063899955,0.111824921,0,0,1.214869486,-0.142925822,-0.060743474,-0.357314555,0.101239124,-0.347105568,0.607434743,0,0,0.286694102,-0.089889454,0.03542524,-0.087166142,0.046896433,-0.110768176,0.099108368,0,0,-0.119324369,-0.12772276,-0.25468874,0.141981679,-0.266313878,0.400057682,0,0,-0.117647059,-0.05,-0.294117647,0.083333333,-0.285714286,0.5,0,0,-0.117647059,-0.05,-0.294117647,0.083333333,-0.285714286,0.5,0,0,-0.117647059,-0.05,-0.294117647,0.083333333,-0.285714286,0.5,0,0,-0.117647059,-0.05,-0.294117647,0.083333333,-0.285714286,0.5,0,0,-0.117647059,-0.05,-0.294117647,0.083333333,-0.285714286,0.5,0,0,-0.313537855,0.123564593,-0.30403884,0.163576555,-0.386363636,0.34569378,0,0,1.410578496,1.147823276,1.222907152,0.742539615,1.191828999,0.083119264,0,0,1.5,1.133333333,1.3125,0.708333333,1.113095238,0,0,0,1.5,1.133333333,1.3125,0.708333333,1.113095238,0,0,0,1.5,1.133333333,1.3125,0.708333333,1.113095238,0,0,0,1.5,1.133333333,1.3125,0.708333333,1.113095238,0,0,0,1.5,1.133333333,1.3125,0.708333333,1.113095238,0,0,0,1.663277512,0.584120813,1.526016746,0.621486244,1.568694463,0,0,0,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,28.54046478,14.09430646,23.24723,28.30589688,4.71764948,14.09430827,-0.351851852,0.180238238,0.030039706,-1.028085457,93.97254921,15.66209153,2.725801626,0,11.89,12.11007471,-0.173307264,0.049641164,5.172182174,7.378699054,5,17,16,16,4,1,1,0,0,1,13.118484,3.509509789,3.00861965,2.262902659,2.141043573,1.379788877,0.424417096,0.083923071,0.083923071,1.874624087,1.584109337,1.164868237,1.042942187,0.64012244,0.083923071,0.083923071,0.083923071,3.532363468,3.048689896,2.333133822,2.209460257,1.486312014,0.536930715,0.270913902,0.270913902,1.818000681,1.503276574,1.051065661,0.927186419,0.492791327,0.270913902,0.270913902,0.270913902,3.636051457,3.223537309,2.626375934,2.499237151,1.915342416,0.963715902,0.943918427,0.943918427,1.657359637,1.258033258,0.681610229,0.554435053,0.006770143,0.943918427,0.943918427,0.943918427,3.549373664,3.078163968,2.384102426,2.259374684,1.562752636,0.616168921,0.399277246,0.399277246,1.782439346,1.451112172,0.975670975,0.850703196,0.393624383,0.399277246,0.399277246,0.399277246,3.688375087,3.307384409,2.759159287,2.632200336,2.10108654,1.207644823,1.207644823,1.207644823,1.609293453,1.179526588,0.554654643,0.427824615,0.187161211,1.134156544,1.207644823,1.207644823,3.586723341,3.095911212,2.525735629,2.313103709,1.572946203,0.637933494,0.514285714,0.514285714,1.816692529,1.398803173,0.917864366,0.681223289,0.34634166,0.514285714,0.514285714,0.514285714,0,0,1,0,1,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.25,0,0,0,0.288675135,0.288675135,0,0.176776695,0.176776695,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.621320344,2.414213562,1.707106781,0.676776695,0.426776695,0,0,0,0.770220057,0.482842712,0.341421356,0.225592232,0.213388348,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,3,2,0,1,0,0,0,0,0,0,0,0,2,1,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.034212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368819444,0,0,0,0.759305556,0.580555556,0,0.368819444,0,0,0,0,0,0,0,0,4.220416667,3.744861111,2.412037037,0,0,0,0,0,0,1.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368819444,0,0,0,0.225625,0.290277778,0,0.368819444,0,0,0,0,0,0,0,0,2.059027778,3.744861111,1.180555556,0,0,0,0,0,0,1.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.744861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368819444,0,0,0,0.290277778,0.290277778,0,0.368819444,0,0,0,0,0,0,0,0,2.161388889,3.744861111,1.231481481,0,0,0,0,0,0,1.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.66666667,1.944444444,0.368819444,3.744861111,0.081597222,1.180555556,3.994889074,0.377314815,0.744861111,1.930555556,0.377314815,0.744861111,1.930555556,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.50196,0.75033,5.69868,1.19673,0.19945,2.22875,0.37146,2.77005,0.5413,0.09022,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.213298282,3.308270835,3.308270835,3.076608334,2.261069445,16.52932501,39.83936908,59.54887502,59.54887502,55.37895002,40.69925001,0.220218789,0.53077652,0.793364589,0.793364589,0.737809033,0.542232641,3.251629167,1.956626719,0.861654167,0.861654167,1.093316667,1.908855556,0.220218789,0.53077652,0.793364589,0.793364589,0.737809033,0.542232641,6.73287657,17.50946582,18.61300657,18.61300657,15.83305657,9.918186589,23.69925001,13.75537171,13.03809584,13.03809584,11.64812084,8.163743058,6,3.2,5.333333333,6,2,5,2.12,0.911,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.104,0.088,0.143,0.175,2.638,5,3,2,0,0,0,0,0,0,21,1.945910149,2.079441542,1.609437912,1.386294361,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,109.6959078,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,84.09390038,4.671883355,10.67917749,1.779862916,0,0,0,32,3,2.881,20,1.218176471,2.110601001,2.932698089,3.572508005,4.508951691,5.488026661,0,0,0,0,72.09694811,74.30938985,66.9830753,54.50861221,34.05797138,5.576186321,0,0,0,0,273.7619267,324.294709,363.7635244,317.5541809,362.4791392,170.5884182,0,0,0,0,8.854038609,14.97828794,20.68315813,24.71652767,31.35409745,36.87110955,0,0,0,0,2.083499297,2.677482179,3.241348729,3.035222925,3.782555501,2.440047476,0,0,0,0,175.1053983,329.7544042,466.4994325,605.5816193,749.2829873,1014.833004,0,0,0,0,2.944308824,3.998058916,5.568553144,5.603822318,7.838853047,5.488026661,0,0,0,0,0.432308382,0.564673059,0.692083803,0.657742344,0.827415843,0.56197393,0,0,0,0,345.7454924,129.0262223,10.45593991,162.1492469,-60.51128716,-10.50042628,183.5962455,189.5375094,20.95636619,0.680742417,0.254041265,0.020586825,0.319257583,-0.119141394,-0.020674414,175.6023167,65.53173953,5.310516876,82.3547495,-30.73336442,-5.33311127,0.143178198,0.267189428,4.510370501,6.184421945,507.8947393,0,1,0,333.2330094,18.25467089,6.932917066,449.9020669,21.21089501,7.66253838,502.1520734,22.40874993,7.948376307,1.524863477,1.524863477,320.5330172,269.0760086,64.85717175,1.191235959,4.94213683,4.148747184,3.6421286,3.477616438,6.454645435,0.856054442,3.510134988,3.965523711,4.772086919,10.38910679,2.338632526,3.938684801,2.588672017,8.163641833,1.939448387,1.654087221,0.11409806,1.628283808,2.42E-13,6.96E-48,3.86E-104,4.12E-182,8.49E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0.294592014,3.965317641,0.192876381,4.646356408,0.029704862,0.186749218,0.30638318,0.315332559,0.936676212,0.023743503,8.35E-04,0.011468136,1.71E-15,4.90E-50,2.72E-106,2.90E-184,5.98E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0.950952888,3.965331835,0.759429803,5.245572743,0.205094294,0.697478956,0.662079463,1.260184006,1.126065737,0.15247152,0.008454788,0.119506819,1.78E-14,5.11E-49,2.83E-105,3.02E-183,6.23E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,3.313281751,3.965501237,4.361507739,9.834830795,2.092597791,3.618740881,2.409978309,7.450694011,1.87264759,1.482089116,0.101680928,1.450771558,2.16E-13,6.20E-48,3.44E-104,3.67E-182,7.57E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,1.401524051,3.965349854,1.25766561,5.827051963,0.413356018,1.123829408,0.938964829,2.103918062,1.260617899,0.301428875,0.018287696,0.25958478,3.87E-14,1.11E-48,6.15E-105,6.57E-183,1.35E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,4.238993919,3.965618119,6.440158184,12.67150208,3.368449046,5.22576876,3.294546008,11.06733024,2.192926369,2.37288469,0.166298926,2.374698905,3.54E-13,1.02E-47,5.63E-104,6.01E-182,1.24E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,1.899994637,2.95134019,1.615036861,6.47688654,0.679806903,1.501221817,1.059260407,2.726447616,1.448690569,0.479094842,0.030285749,0.430664452,6.41E-14,1.84E-48,1.02E-104,1.09E-182,2.25E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,4.087574431,1.237328514,0.369336683,0.717843768,0.217294774,0.563798613,0.468392481,0.444427299,5.694239629,7.024354391,14.58657797,0.576765652,1.476618394,3.132393952,0.694175952,0.079623165,0.801904539,0.177711634,0.331998834,0.150656041,0.020655452,3.906193068,2.479116158,6.558444428,0.702856809,0.503310327,3.511332882,0.910326271,0.194687971,0.760630167,0.197196235,0.416596104,0.256819851,0.123490649,4.616347124,4.057302417,9.295961573,0.64094525,0.796906604,4.063887342,1.223921099,0.362164193,0.71927558,0.216624253,0.557305446,0.458532136,0.427333418,5.649972634,6.888932339,14.34026529,0.57891337,1.443171,3.680435086,1.00647984,0.24597709,0.746100882,0.204034436,0.457469402,0.312730254,0.197126567,4.932892017,4.857157414,10.70121836,0.619151323,0.967326223,4.161743349,1.279292586,0.391791836,0.713503555,0.219326309,0.584375552,0.499902719,0.500111225,5.832827771,7.455840871,15.37460262,0.570255332,1.584389496,4.06655996,1.230298281,0.361546704,0.718676023,0.217428461,0.558155859,0.46449127,0.425877455,5.658404944,6.918143363,14.38539601,0.578014034,1.448524584 +UMLS0166,L,2-Methyl-1-Pentene,CCCC(=C)C,12986,,"Sandia, UML",[1],C6H12,PubChem,,12.7,0,3.1124,9.68703376,40.2054,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1179.348079,1360.019144,1085.549309,801.251812,734.534308,290.570112,36.578304,0,3823.307636,4570.930941,5596.926009,5590.766744,4462.365802,3443.911937,2753.678793,1119.0148,0,154.382624,152.43046,254.827808,257.950004,345.598096,196.195216,170.823168,241.864704,0,28.53578067,35.11192034,45.46326382,47.7954422,42.31069611,29.85348658,26.72506344,16.00606457,0,3603.201977,3031.276161,5683.327436,5412.565864,8504.667748,4563.659821,3674.941145,6657.035473,0,43.55555556,52,70,79.11111111,75.33333333,48,48,36,0,53.10626655,56.15943233,37.77830956,30.15414747,16.02503624,26.23336814,12.107088,1.016064,0,173.7867107,217.6633782,155.4701669,155.2990762,89.24731604,122.9968549,114.7366164,31.08374443,0,7.017392,7.258593333,7.078550222,7.165277889,6.91196192,7.006972,7.117632,6.718464,0,1.297080939,1.671996207,1.262868439,1.327651172,0.846213922,1.066195949,1.11354431,0.444612905,0,163.781908,144.3464838,157.8702066,150.3490518,170.093355,162.9878508,153.1225477,184.917652,0,1.97979798,2.476190476,1.944444444,2.197530864,1.506666667,1.714285714,2,1,0,0.043729913,0.004593357,-0.008593573,-0.034738628,0.015540693,0.003046431,-0.028812077,0.02709884,0,616.3360458,-49.02673092,136.0741919,-579.3158612,228.1243806,52.0283675,-672.3665954,576.3142247,0,1146.103196,-91.16729966,253.0357705,-1077.262582,424.207027,96.74897106,-1250.294395,1071.68091,0,0.120736,-0.009604,0.026656,-0.113484,0.044688,0.010192,-0.131712,0.112896,0,5.123614541,-0.407560248,1.131187626,-4.815864966,1.896402785,0.432512916,-5.589397681,4.790912298,0,27.8315555,-2.213873733,6.144629137,-26.15985493,10.30129002,2.349417023,-30.36169691,26.02431164,0,4.444444444,-1.333333333,2.444444444,-4.444444444,0.666666667,1.777777778,-5.333333333,4,0,0.001987723,2.19E-04,-2.39E-04,-9.65E-04,3.11E-04,1.09E-04,-0.001200503,7.53E-04,0,28.01527481,-2.334606234,3.779838665,-16.09210726,4.562487612,1.858155982,-28.01527481,16.00872846,0,52.0955998,-4.341299984,7.028771402,-29.9239606,8.48414054,3.455320395,-52.0955998,29.76891417,0,0.005488,-4.57E-04,7.40E-04,-0.003152333,8.94E-04,3.64E-04,-0.005488,0.003136,0,0.23289157,-0.019407631,0.031421878,-0.133774027,0.037928056,0.01544689,-0.23289157,0.133080897,0,1.265070705,-0.105422559,0.170684143,-0.726662637,0.2060258,0.083907751,-1.265070705,0.722897546,0,0.202020202,-0.063492063,0.067901235,-0.12345679,0.013333333,0.063492063,-0.222222222,0.111111111,0,0.110041114,-0.120092344,-0.48546087,0.156366765,0.054736541,-0.60395891,0.378697355,0,-0.083333333,0.134920635,-0.574404762,0.162857143,0.066326531,-1,0.571428571,0,-0.083333333,0.134920635,-0.574404762,0.162857143,0.066326531,-1,0.571428571,0,-0.083333333,0.134920635,-0.574404762,0.162857143,0.066326531,-1,0.571428571,0,-0.083333333,0.134920635,-0.574404762,0.162857143,0.066326531,-1,0.571428571,0,-0.083333333,0.134920635,-0.574404762,0.162857143,0.066326531,-1,0.571428571,0,-0.314285714,0.336111111,-0.611111111,0.066,0.314285714,-1.1,0.55,0,1.101865281,1.323153486,1.620165828,0.773186945,1.215530689,1.216963636,0,0,1.375,0.916666667,1.71875,0.66,0.883928571,2.0625,0,0,1.375,0.916666667,1.71875,0.66,0.883928571,2.0625,0,0,1.375,0.916666667,1.71875,0.66,0.883928571,2.0625,0,0,1.375,0.916666667,1.71875,0.66,0.883928571,2.0625,0,0,1.375,0.916666667,1.71875,0.66,0.883928571,2.0625,0,0,1.65,0.554166667,1.895833333,0.777,0.45,2.3625,0,0,30.77973384,15.38986692,23.28153786,30.77973384,3.84746673,15.3898676,1.60E-14,1.67E-16,2.08E-17,-29.06506837,25.18417526,3.148021907,2.580972665,30.77973384,15.38986692,23.28153786,30.77973384,3.84746673,15.3898676,1.60E-14,1.67E-16,2.08E-17,-29.06506837,25.18417526,3.148021907,2.580972665,30.77973384,15.38986692,23.28153786,30.77973384,3.84746673,15.3898676,1.60E-14,1.67E-16,2.08E-17,-29.06506837,25.18417526,3.148021907,2.580972665,30.77973384,15.38986692,23.28153786,30.77973384,3.84746673,15.3898676,1.60E-14,1.67E-16,2.08E-17,-29.06506837,25.18417526,3.148021907,2.580972665,30.77973384,15.38986692,23.28153786,30.77973384,3.84746673,15.3898676,1.60E-14,1.67E-16,2.08E-17,-29.06506837,25.18417526,3.148021907,2.580972665,30.77973384,15.38986692,23.28153786,30.77973384,3.84746673,15.3898676,1.60E-14,1.67E-16,2.08E-17,-29.06506837,25.18417526,3.148021907,2.580972665,32.58023,16.265115,24.29671821,32.54273,4.06784125,16.26511526,-0.05,5.00E-16,6.25E-17,-28.18617854,26.33645894,3.292057367,2.6167634,0,11.89,12.11011416,-0.170885669,0.051541342,5.973170219,7.861305017,7,21,19,19,5,2,2,0,0,2,15.304898,3.621530025,3.238315028,2.372530369,2.333552793,2.333552793,1.611468734,0.393023639,0.324855985,1.893675652,1.680902632,1.249629723,1.249629723,1.113117954,0.53833526,0.083923071,0.083923071,3.637414965,3.2652931,2.427097074,2.405454588,2.405454588,1.680144374,0.504261424,0.460945299,1.848484396,1.612082434,1.134540686,1.134540686,1.016070573,0.414863225,0.270913902,0.270913902,3.711091005,3.389929379,2.704236987,2.704236987,2.661574642,1.972238685,0.959346971,0.959091751,1.726606923,1.415852807,0.76031856,0.76031856,0.706816038,0.028322958,0.943918427,0.943918427,3.649313266,3.285510591,2.467101528,2.457539916,2.457539916,1.730289304,0.585048075,0.55563929,1.820714114,1.568688333,1.058262671,1.058262671,0.95217058,0.334220045,0.399277246,0.399277246,3.749447304,3.453688887,2.838982085,2.838982085,2.770829682,2.107741267,1.207644823,1.207644823,1.691799379,1.357490544,0.631337262,0.631337262,0.603302666,0.100040088,1.148961536,1.152463116,3.646269923,3.287814998,2.536263179,2.534194529,2.534194529,1.779914808,0.623923313,0.614021993,1.810216288,1.542125474,0.968977137,0.968977137,0.871535511,0.264330941,0.52173913,0.52173913,0,0,0,2,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.577350269,0,0,0,0.577350269,0.333333333,0.666666667,0.333333333,0.166666667,0.333333333,6.568914101,3.625897658,3.365043969,1.321367205,0.666666667,0.666666667,0,0,0.821114263,0.51798538,0.420630496,0.264273441,0.166666667,0.166666667,0,0,6.154700538,2.910683603,2.488033872,0.75,0.333333333,0.333333333,0,0,0.769337567,0.415811943,0.311004234,0.15,0.083333333,0.083333333,0,0,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.77118,38.322,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.67E-16,2.08E-17,-29.06506837,28.15755615,3.519694518,2.670252594,56,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,4,0,2,0,0,0,0,0,0,0,0,4,0,0,0,2,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.946666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.726388889,0,0,0,1.263611111,0,0.726388889,0,0,0,0,0,0,0,0,8.386666667,0,0,0,4.240740741,0,0,0,0,2.705925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.352962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.315902778,0,0.363194444,0,0,0,0,0,0,0,0,2.096666667,0,0,0,2.12037037,0,0,0,0,1.352962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.315902778,0,0.363194444,0,0,0,0,0,0,0,0,2.096666667,0,0,0,2.12037037,0,0,0,0,1.352962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.33333333,1.916666667,0.363194444,2.12037037,0.105,1.352962963,4.428911852,0.313703704,0.12037037,1.254814815,0.313703704,0.12037037,1.254814815,4,0.5,0,0,0.44545,0.7,0.42308,0.42308,0.7,0.02238,0.02238,0,0,0.71429,0,0,0.5,0.25,0,6.5,0.8125,3.5,0.4375,3,0.375,-0.5,-0.0625,0,0,6.13526,0.76691,8.87961,2.74435,0.34304,2.19816,0.27477,3.62588,1.42772,0.17847,0.28812,0.03601,0.28812,0.03601,0,7,0,0,0,0,0,0,0.5,0.945660305,1.867633891,1.867633891,1.867633891,1.867633891,1.553140107,20.8045267,41.0879456,41.0879456,41.0879456,41.0879456,34.16908236,0.212058483,0.418805366,0.418805366,0.418805366,0.418805366,0.348282077,3.513771314,2.591797728,2.591797728,2.591797728,2.591797728,2.906291511,0.209052139,0.412867981,0.412867981,0.412867981,0.412867981,0.343344498,6.786633838,13.7115537,13.7115537,13.7115537,13.7115537,9.937628296,31.28312609,24.63270148,24.63270148,24.63270148,24.63270148,20.85877608,8,3.9375,7.2,8,4,6,2.34,1.1498,1.62865057,3.265986324,4,0,1,2.828427125,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.088,0.279,0.328,3.6,8,5,4,4,0,0,0,0,0,36,2.302585093,2.708050201,2.564949357,2.833213344,2.833213344,0,0,0,0,0,4.33073334,2.083333333,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,5,0.714285714,0,3,5,0.666666667,2.5,0.666666667,0.25,0.32,0,0,0,0,0,0,0.357142857,0.083333333,0.05,0.08,0,0,0,0,0,0,0.57047619,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.67E-16,2.08E-17,-29.06506837,28.15755615,3.519694518,2.670252594,0,141.6514183,4,3.433987204,4.043051268,4.779123493,5.424950017,6.150602768,6.814542897,7.529943371,8.204398418,8.912338567,70.292938,2.708050201,0,3.850147602,0,5.105945474,0,6.408528791,0,7.738488122,8.049746291,110.1095504,5.004979566,14.50192071,1.812740089,0,0,0,74,5,3.128,30,1.211936671,2.100058557,3.0845735,3.671608836,4.604727295,5.908065528,6.238416604,0,0,0,78.55942786,92.49104103,100.6539275,70.63647891,142.5243188,71.52946925,6.338630529,0,0,0,288.3218612,363.6452397,496.837827,361.7080674,635.9936069,677.8714479,193.9133474,0,0,0,8.830546778,14.94786192,22.12598063,25.45645999,32.4535275,42.05143626,41.91257737,0,0,0,2.159433602,2.877546269,4.191674871,3.315644907,5.357572026,6.578892751,2.773680528,0,0,0,172.8474454,325.629516,462.2645469,618.8559571,736.5209484,904.6580456,1153.593351,0,0,0,3.114260634,4.3549923,6.877884217,5.750281707,8.431241717,11.81613106,6.238416604,0,0,0,0.446765435,0.602574854,0.885227526,0.713943615,1.1348635,1.417935727,0.63881386,0,0,0,313.7348886,142.0060073,9.233755978,100.9816198,-45.70737002,-5.505395023,212.7532687,187.7133773,14.739151,0.756504461,0.342417059,0.022265224,0.243495539,-0.110213529,-0.01327508,130.1110375,58.89223551,3.829391039,41.87874479,-18.9556009,-2.283178201,0.136309922,0.167258293,1.516773697,1.951477721,414.7165084,0,1,0,482.6596478,21.96951633,7.844170001,623.3458804,24.96689569,8.54233039,772.698755,27.79745951,9.176352133,1.404670188,1.404670188,649.1194404,540.2850278,121.6623309,1.201438883,5.335418414,4.440857116,4.465718572,4.487038913,7.752290869,0.727707519,5.923422169,4.920527978,4.485482109,10.06594518,2.324088985,7.895991289,5.439945845,6.151837802,4.759761356,2.288267592,8.88416447,4.189872706,6.247015516,0.004803335,0.004322797,1.05E-24,4.88E-68,4.40E-133,7.64E-220,0,0,0,0,0,0,0,0,0,0,0,0.497122881,4.908487684,0.22144975,7.355011031,1.671608904,0.449111973,0.402657288,0.90817753,1.808490046,0.432007058,0.627429697,0.194793571,0.137720412,3.39E-05,3.04E-05,7.37E-27,3.44E-70,3.10E-135,5.38E-222,0,0,0,0,0,0,0,0,0,0,0,1.60474625,4.909292353,0.816991268,7.764644892,1.761899387,1.582107467,1.046095025,1.682603993,2.392429912,0.623379242,2.103010841,0.707578402,0.699285977,3.53E-04,3.17E-04,7.68E-26,3.58E-69,3.23E-134,5.61E-221,0,0,0,0,0,0,0,0,0,0,0,5.591228015,4.9192061,4.127212385,9.849138376,2.26896993,7.303165657,4.995444143,5.726139261,4.572549904,2.108286692,8.304474757,3.838213009,5.630511627,0.004279701,0.003851534,9.32E-25,4.35E-68,3.92E-133,6.80E-220,0,0,0,0,0,0,0,0,0,0,0,2.36509497,4.910335547,1.307417059,8.0885208,1.836617271,2.474802847,1.602044081,2.302087184,2.798772684,0.810431835,3.178243353,1.149465819,1.288313903,7.66E-04,6.89E-04,1.67E-25,7.79E-69,7.01E-134,1.22E-220,0,0,0,0,0,0,0,0,0,0,0,7.1533876,4.926086275,5.922389548,10.92641425,2.545399764,10.24643493,7.240292455,7.846870315,5.460343071,3.029982168,11.11476389,5.61349591,8.804989305,0.007005135,0.006304393,1.53E-24,7.12E-68,6.41E-133,1.11E-219,0,0,0,0,0,0,0,0,0,0,0,3.224854277,4.589467161,1.678994385,8.753322581,2.071310674,3.527005241,2.158305881,2.979738987,2.905060639,1.030038537,4.408878906,1.6849169,2.032356275,0.001307608,0.001176716,2.85E-25,1.33E-68,1.20E-133,2.08E-220,0,0,0,0,0,0,0,0,0,0,0,6.318197271,1.943780882,0.28927997,0.738861718,0.227309345,0.679222132,0.657068085,0.363628448,8.551258122,14.67121585,26.77517655,0.608292578,1.699918665,4.848305464,1.046523728,0.058213001,0.814424845,0.175796457,0.399669885,0.190016396,0.014725196,5.953042192,5.417022402,11.6654296,0.721637267,0.604411477,5.408030304,1.388203758,0.14620277,0.778981564,0.199959149,0.497422085,0.334680164,0.092882165,6.942436832,8.501076237,16.54112276,0.668472347,0.924984414,6.279279917,1.920025864,0.283162266,0.740265673,0.226352266,0.670869543,0.641072182,0.348411022,8.482468048,14.37811386,26.27449375,0.610398509,1.660352748,5.667440429,1.546554128,0.186982059,0.765769266,0.208966223,0.546354621,0.4155612,0.151922116,7.400976616,10.11389095,19.15376594,0.648653899,1.113837937,6.440930785,2.018696666,0.308573316,0.734578388,0.230229293,0.705902542,0.708808899,0.413749861,8.768200767,15.61270079,28.39305991,0.601867582,1.828461302,6.27866585,1.920081712,0.282742569,0.740278625,0.226384949,0.670737887,0.641108075,0.347378972,8.481490131,14.37368642,26.26379415,0.610417937,1.659224934 +UMLS0167,L,"2,5-dimethyl-2,4-hexadiene",CC(=CC=C(C)C)C,12992,,UML,[1],C8H14,PubChem,,15.4,0,2.764,7.639696,49.8384,25.601516,0,0,22,10,12,0,10,0,0,0,0,0,0,0,0,0,1454.833978,1587.926266,1955.19342,1641.439809,1237.006687,967.526621,507.55757,109.049472,6.096384,4608.173951,5612.008414,7333.964382,7148.612352,5567.899424,4536.651814,3201.644959,1290.897864,186.5024666,156.026728,160.816744,258.914352,294.032196,314.8711,206.929076,223.420808,137.562624,40.310784,33.22435486,41.25153172,56.17827501,58.0577923,47.78942427,37.99383782,30.28802103,14.24370934,2.667677429,3486.955385,3105.414133,5387.244044,6168.251149,7373.914496,4436.093343,5260.6015,3443.992206,1109.505912,49.55555556,60,84.11111111,92,78.66666667,62.66666667,54.66666667,28,6,66.12881718,72.17846664,54.31092833,40.03511729,27.48903749,33.36298693,15.86117406,5.4524736,1.016064,209.4624523,255.0912915,203.7212328,174.3563988,123.7310983,156.4362694,100.051405,64.54489321,31.08374443,7.092124,7.309852,7.192065333,7.171516976,6.997135556,7.135485379,6.98190025,6.8781312,6.718464,1.510197948,1.875069624,1.560507639,1.416043715,1.061987206,1.310132339,0.946500657,0.712185467,0.444612905,158.4979721,141.1551879,149.6456679,150.44515,163.8647666,152.968736,164.3937969,172.1996103,184.917652,2.252525253,2.727272727,2.336419753,2.243902439,1.748148148,2.16091954,1.708333333,1.4,1,0.05810288,2.90E-04,-0.015464703,-0.02671841,0.018443623,-0.014717422,-0.005827196,0.004775711,0.010166609,660.3600491,-6.39E-14,42.02291221,-416.22694,267.1456562,-320.1745693,-113.0616448,60.03273174,150.0818293,1227.96771,4.69E-13,78.14339971,-773.9917685,496.7687553,-595.3782835,-210.2429564,111.6334282,279.0835704,0.12936,1.88E-15,0.008232,-0.081536,0.052332,-0.06272,-0.022148,0.01176,0.0294,5.489587008,1.12E-14,0.349337355,-3.460103326,2.220787472,-2.661617943,-0.939883836,0.499053364,1.247633411,29.81952376,-4.22E-14,1.897606057,-18.79533619,12.06335279,-14.45795091,-5.105463916,2.710865796,6.77716449,4.929292929,-0.767676768,1.418732782,-3.812672176,2.836547291,-2.416896235,-1.008264463,0.205693297,1.079889807,0.00264104,1.32E-05,-4.30E-04,-6.52E-04,4.10E-04,-5.07E-04,-1.82E-04,2.39E-04,0.001694435,30.01636587,-2.91E-15,1.167303117,-10.15187659,5.936570138,-11.04050239,-3.533176399,3.001636587,25.01363822,55.81671408,2.13E-14,2.170649992,-18.87784801,11.03930567,-20.53028564,-6.570092386,5.581671408,46.5139284,0.00588,8.53E-17,2.29E-04,-0.001988683,0.001162933,-0.002162759,-6.92E-04,5.88E-04,0.0049,0.249526682,5.07E-16,0.009703815,-0.084392764,0.049350833,-0.091779929,-0.02937137,0.024952668,0.207938902,1.355432898,-1.92E-15,0.052711279,-0.458422834,0.268074506,-0.498550031,-0.159545747,0.13554329,1.129527415,0.22405877,-0.034894399,0.039409244,-0.092992004,0.063034384,-0.083341249,-0.031508264,0.010284665,0.179981635,0.004997143,-0.162653762,-0.246746941,0.155188217,-0.192158126,-0.068950065,0.090413447,0.641578649,-9.68E-17,0.038888889,-0.338211382,0.197777778,-0.367816092,-0.117708333,0.1,0.833333333,3.82E-16,0.038888889,-0.338211382,0.197777778,-0.367816092,-0.117708333,0.1,0.833333333,1.45E-14,0.038888889,-0.338211382,0.197777778,-0.367816092,-0.117708333,0.1,0.833333333,2.03E-15,0.038888889,-0.338211382,0.197777778,-0.367816092,-0.117708333,0.1,0.833333333,-1.41E-15,0.038888889,-0.338211382,0.197777778,-0.367816092,-0.117708333,0.1,0.833333333,-0.155737705,0.175887978,-0.415033986,0.28132969,-0.37196156,-0.140625,0.045901639,0.803278689,1.004785225,1.148648184,1.248982342,0.74645526,1.208132972,0.976010713,0.759956562,0.212882905,1.05,0.9625,1.314634146,0.727222222,1.327586207,1.02265625,0.77,0,1.05,0.9625,1.314634146,0.727222222,1.327586207,1.02265625,0.77,0,1.05,0.9625,1.314634146,0.727222222,1.327586207,1.02265625,0.77,0,1.05,0.9625,1.314634146,0.727222222,1.327586207,1.02265625,0.77,0,1.05,0.9625,1.314634146,0.727222222,1.327586207,1.02265625,0.77,0,1.226434426,0.749487705,1.425854658,0.578551913,1.395597795,1.094646516,0.85204918,0,41.00210446,20.35493517,30.80486297,41.00210446,4.100210446,20.35493518,-3.55E-15,0.128539035,0.012853904,-2.051522643,49.17230916,4.917230916,3.895330643,41.00210446,20.35493517,30.80486297,41.00210446,4.100210446,20.35493518,-3.55E-15,0.128539035,0.012853904,-2.051522643,49.17230916,4.917230916,3.895330643,41.00210446,20.35493517,30.80486297,41.00210446,4.100210446,20.35493518,-3.55E-15,0.128539035,0.012853904,-2.051522643,49.17230916,4.917230916,3.895330643,41.00210446,20.35493517,30.80486297,41.00210446,4.100210446,20.35493518,-3.55E-15,0.128539035,0.012853904,-2.051522643,49.17230916,4.917230916,3.895330643,41.00210446,20.35493517,30.80486297,41.00210446,4.100210446,20.35493518,-3.55E-15,0.128539035,0.012853904,-2.051522643,49.17230916,4.917230916,3.895330643,41.00210446,20.35493517,30.80486297,41.00210446,4.100210446,20.35493518,-3.55E-15,0.128539035,0.012853904,-2.051522643,49.17230916,4.917230916,3.895330643,44.51618881,21.919012,33.37745224,44.48418881,4.448418881,21.919012,-0.053333333,0.178108299,0.01781083,-1.725363493,45.03093263,4.503093263,3.807349645,0,11.85,12.1501118,-0.207934131,0.092255903,6.095796875,8.933131493,10,22,18,18,6,4,4,0,0,4,13.118484,3.777960215,3.371412409,2.670416513,2.64911457,2.333552793,1.903815594,0.926938202,0.76065722,1.962776577,1.72335231,1.249629723,1.127677787,1.102295258,0.702158617,0.305911373,0.231845178,3.788934908,3.39200807,2.697314064,2.675203415,2.405454588,1.960967758,1.040358538,0.882111232,1.931960796,1.666291727,1.134540686,1.056003609,1.028724763,0.592502036,0.145009386,0.063813204,3.839201747,3.488193344,2.824495443,2.79848862,2.704236987,2.20766894,1.509333156,1.389380056,1.849694817,1.508492472,0.851359665,0.824694856,0.76031856,0.255710328,0.404709933,0.518308207,3.797117787,3.407481326,2.71764637,2.694893082,2.457539916,2.002899591,1.122815948,0.971195398,1.913161916,1.630750608,1.058262671,1.010727403,0.982818829,0.521426262,0.03633571,0.050215565,3.865109307,3.538337815,2.890708226,2.863278479,2.838982085,2.324101819,1.714330405,1.608939802,1.826120186,1.462951383,0.791032153,0.765965708,0.631337262,0.146072262,0.603646471,0.73245906,3.798977832,3.409588832,2.743039857,2.729421452,2.527114381,2.055007618,1.212831295,1.058096656,1.906914214,1.607575396,0.976707453,0.975390243,0.920387284,0.454529464,0.067964407,0.156379683,0,0,0,6,2,2,0,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.018518519,0.612372436,0,0,0,0.384900179,0,0,0,0.642228525,1.041888478,1.093412989,0.303561201,0.414672312,0.361597767,7.397341225,4.7876937,4.133584955,2.529482726,2.089508593,1.454567768,0.595522031,0.319035594,0.739734123,0.47876937,0.344465413,0.210790227,0.149250614,0.103897698,0.074440254,0.053172599,6.464101615,3.488033872,2.632371439,1.254914293,0.882597297,0.504605765,0.180223163,0.082668548,0.646410162,0.348803387,0.219364287,0.104576191,0.063042664,0.036043269,0.022527895,0.013778091,13.25096682,21.32702112,20.35294118,20.56,14.79132695,165.140309,0.602316674,0.969410051,0.92513369,0.934545455,0.672333043,7.506377681,2.92709,44.705,42.8834899,62.95133481,85.7669798,8.57669798,42.8834899,0.20866802,0.020866802,-1.567010712,39.432933,3.9432933,3.67460133,92,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,2,0,6,0,0,0,0,0,0,0,0,2,0,0,0,6,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.566462585,0,0,0,0.689787415,0,2.566462585,0,0,0,0,0,0,0,0,4.208333333,0,0,0,12.50583333,0,0,0,0,2.619166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.280092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.394444444,0,0,0,0.344893707,0,0.394444444,0,0,0,0,0,0,0,0,2.104166667,0,0,0,2.030092593,0,0,0,0,1.280092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.439795918,0,0,0,0.344893707,0,0.439795918,0,0,0,0,0,0,0,0,2.104166667,0,0,0,2.166666667,0,0,0,0,1.339074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.33333333,1.933333333,0.439795918,2.166666667,0.125,1.280092593,4.950330833,0.386574074,0.166666667,1.428333333,0.386574074,0.166666667,1.428333333,5,0.5,0,0,0.48182,0.7,0.43333,0.43333,0.7,0.04848,0.04848,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.0132,0.60132,11.44878,5.43557,0.54356,2.34681,0.23468,4.78768,2.44087,0.24409,0.12632,0.01263,0.21232,0.02123,0.272727273,10,0,0,0,0,0,0,0.2,0.994030211,2.253553209,2.651502641,3.265583323,3.481714573,3.265583323,21.86866465,49.5781706,58.3330581,71.8428331,76.59772061,71.8428331,0.222905136,0.50534539,0.594583092,0.732286893,0.780752991,0.732286893,3.465401407,2.20587841,1.807928978,1.193848296,0.977717046,1.193848296,0.211476005,0.479434552,0.564096723,0.694739964,0.740721035,0.694739964,6.685280239,15.80382441,20.57921759,23.57385599,23.79167847,21.19810347,36.74662124,30.74484747,24.38661799,19.92002383,19.35220896,22.7590982,8.1,4,3.111111111,4,8,3,2.56,1.237,0.5,2.921736458,2.309401077,0,7.732315986,5.638173476,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.151,0.136,0.629,0.808,4.834,12,12,14,14,8,6,4,0,0,90,2.708050201,3.135494216,3.496507561,3.931825633,4.290459441,3.970291914,4.043051268,3.891820298,0,0,5.877735782,3.955555556,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,3,0.3,0,3,6,1,2,0.444444444,0.4375,0.311111111,0.118055556,0.08,0,0,0,0,0.2,0.037037037,0.048611111,0.044444444,0.023611111,0.04,0,0,0,0,0.393703704,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,0,147.7140115,4.321928095,3.80666249,4.532599493,5.323009979,6.070737728,6.865891075,7.621195163,8.416046009,9.174609562,9.968479096,81.7792306,3.044522438,0,4.234106505,0,5.609471795,0,7.067319849,0,8.564267599,8.822174761,132.0939004,6.004268199,19.53512296,1.953512296,0,0,0,126,9,3.523,44,1.240127785,2.190678057,3.109876164,3.85603283,4.784806281,5.324448282,6.400641798,7.21532685,0,0,100.2774153,131.5259429,129.940137,116.678286,171.9106027,92.5956318,34.82592851,7.331233861,0,0,341.502268,479.6654383,558.4807451,508.1893915,775.1869713,569.2046637,412.5751151,224.2793758,0,0,9.099603122,15.82122095,22.34230407,27.05394067,34.16852886,37.31079229,44.0218123,48.47591369,0,0,2.461817926,3.614788126,4.505144097,4.286494489,6.40594259,5.302584289,4.554016988,3.20802743,0,0,172.9055008,323.2455983,464.9621958,626.6015794,730.5106499,864.7379851,1102.398448,1334.2413,0,0,3.509504277,5.351635986,7.093633234,6.974462995,10.47200455,9.461123803,8.95428038,7.21532685,0,0,0.505696349,0.749413415,0.944845805,0.909071511,1.349698339,1.140847472,1.006806389,0.738849469,0,0,302.6738644,162.5059321,13.45055289,117.5236105,-63.09855629,-6.471876373,185.1502539,225.6044884,19.92242926,0.720313382,0.386737051,0.032010075,0.279686618,-0.150164054,-0.015401988,127.1827936,68.28458234,5.651888361,49.38312438,-26.51385402,-2.71946611,0.116117721,0.139970218,2.270785457,1.179702391,420.1974749,0,1,0,717.2657864,26.78181821,8.951449622,838.3024611,28.95345335,9.429027746,1221.919426,34.9559641,10.69089809,1.385805867,1.332810101,729.4640603,682.3747273,152.148139,1.069008026,4.794433013,4.484936405,4.486359755,4.644766144,8.382413327,0.804700833,5.270294467,5.009453661,1.833798802,13.9758112,3.038547145,8.664690377,2.641782597,4.965625756,5.728543651,4.104372803,2.726731986,2.716159007,2.405283518,0.983007616,1.802008968,0.250909599,2.73E-17,5.71E-55,2.31E-114,1.80E-195,2.70E-298,0,0,0,0,0,0,0,0,0,0.44230461,5.004485847,0.151440099,8.670409294,1.121972932,1.97341734,0.463789456,1.547356563,0.39497258,0.216089068,1.438149582,0.415601743,0.159024623,0.010651103,0.012701695,0.001767177,1.92E-19,4.02E-57,1.62E-116,1.27E-197,1.90E-300,0,0,0,0,0,0,0,0,0,1.427800269,5.00481789,0.490486417,9.148898412,1.364303309,3.248620132,0.836732242,1.949838646,0.88325418,0.781977291,1.553232995,0.803821767,0.541574827,0.081724381,0.13228295,0.018415345,2.00E-18,4.19E-56,1.69E-115,1.32E-196,1.98E-299,0,0,0,0,0,0,0,0,0,4.974728387,5.008908268,1.729263952,13.43718161,2.868545873,8.222994009,2.483106373,4.651908723,5.189619681,3.785749106,2.595508304,2.546533553,2.240897336,0.878408831,1.605564433,0.223555935,2.43E-17,5.09E-55,2.06E-114,1.60E-195,2.41E-298,0,0,0,0,0,0,0,0,0,2.104312143,5.005248325,0.724525351,9.656841844,1.574862043,4.150916405,1.114014811,2.313798646,1.396719525,1.238078387,1.676161706,1.094483899,0.826737386,0.168343263,0.287311641,0.04000059,4.34E-18,9.10E-56,3.68E-115,2.87E-196,4.31E-299,0,0,0,0,0,0,0,0,0,6.364642623,5.011746945,2.222595188,16.21290966,3.727788137,10.33649656,3.258062091,6.245777308,7.96510825,5.375592008,3.272019615,3.376891176,3.044442496,1.421465499,2.628028114,0.365928069,3.97E-17,8.33E-55,3.36E-114,2.62E-195,3.94E-298,0,0,0,0,0,0,0,0,0,2.82001707,4.698640313,0.87982843,10.31751903,1.704857689,4.938767257,1.390957213,2.721350789,2.026467547,1.674026211,1.92362551,1.429879546,1.137950672,0.275964742,0.48214183,0.067128014,7.29E-18,1.53E-55,6.17E-115,4.81E-196,7.23E-299,0,0,0,0,0,0,0,0,0,6.225815954,1.377821307,0.824161013,0.738723893,0.163485321,0.562373552,0.458312918,0.389270475,8.427798275,14.84468327,30.34218571,0.60808584,1.409956945,4.899861426,0.756352126,0.403861649,0.808547958,0.124809033,0.349702966,0.13307678,0.08862439,6.0600752,5.990348334,13.54714313,0.712821936,0.571404136,5.34893055,0.966526167,0.54702489,0.779445521,0.140842078,0.416080238,0.220830213,0.166851407,6.862481606,8.624593356,18.31512873,0.669168281,0.803761858,6.183885899,1.358141307,0.810960845,0.740320214,0.162593469,0.554875678,0.444968055,0.37657141,8.352988052,14.51487964,29.67879605,0.61048032,1.376415143,5.578457224,1.07410732,0.619818987,0.767074124,0.147696737,0.452240478,0.274541347,0.216245243,7.272383531,10.11524755,21.10150076,0.650611186,0.943027067,6.361016571,1.441282827,0.866696189,0.733766272,0.166257188,0.58689386,0.502700309,0.431612513,8.668995587,15.9302471,32.5451341,0.600649407,1.521206682,6.186203368,1.357771855,0.810411923,0.740473629,0.162522018,0.555294204,0.444606769,0.375913804,8.354387146,14.51318029,29.67458415,0.610710444,1.375814777 +UMLS0168,L,1-phenyl-2-methylpropene,CC(=CC1=CC=CC=C1)C,13030,,UML,[1],C10H12,PubChem,,8.8,0,1.3255,1.75695025,35.532,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1106.796102,1110.860358,779.919339,248.409504,27.433728,0,0,3399.790734,4147.41404,5063.01831,5187.353288,4731.845919,2997.771428,839.2610996,0,0,146.842108,144.889944,254.381208,281.255064,275.662956,329.671296,181.398528,0,0,25.74688067,32.32302034,42.78148384,44.55993546,43.10284392,33.38218473,12.00454843,0,0,3476.407621,2904.481805,5704.188715,6443.859323,6147.15562,8303.73542,4992.776605,0,0,37.27777778,44.33333333,62.58333333,67,70,66,27,0,0,48.76541633,51.7541979,30.74433617,27.77150895,19.99793177,5.175198,1.016064,0,0,161.8947969,207.370702,140.6393975,129.6838322,121.3293825,62.45357141,31.08374443,0,0,6.992481333,7.2444972,7.066144667,7.0313766,7.068280923,6.868152,6.718464,0,0,1.226041937,1.616151017,1.188374551,1.113998387,1.105201126,0.695462182,0.444612905,0,0,165.54322,145.2240902,158.4496865,161.0964831,157.6193749,172.9944879,184.917652,0,0,1.775132275,2.216666667,1.738425926,1.675,1.794871795,1.375,1,0,0,0.037857571,-0.001636127,-0.008330421,-0.003883593,-0.02275288,0.00140958,0.016264655,0,0,564.9747087,-53.80711511,-40.35533633,13.45177878,-484.264036,-80.71067267,363.198027,0,0,1050.594596,-100.0566282,-75.04247115,25.01415705,-900.5096538,-150.0849423,675.3822403,0,0,0.110674667,-0.010540444,-0.007905333,0.002635111,-0.094864,-0.015810667,0.071148,0,0,4.696646663,-0.447299682,-0.335474762,0.111824921,-4.025697139,-0.670949523,3.019272855,0,0,25.51225921,-2.429738973,-1.822304229,0.607434743,-21.86765075,-3.644608459,16.40073807,0,0,3.415343915,-0.877047115,-0.424981104,0.70622323,-1.71579743,-1.362055933,1.965986395,0,0,0.001802741,-8.18E-05,-2.31E-04,-9.71E-05,-5.83E-04,2.94E-05,6.02E-04,0,0,26.90355756,-2.690355756,-1.120981565,0.336294469,-12.41702656,-1.681472347,13.45177878,0,0,50.0283141,-5.00283141,-2.084513087,0.625353926,-23.08999112,-3.126769631,25.01415705,0,0,0.005270222,-5.27E-04,-2.20E-04,6.59E-05,-0.00243241,-3.29E-04,0.002635111,0,0,0.223649841,-0.022364984,-0.009318743,0.002795623,-0.103223004,-0.013978115,0.111824921,0,0,1.214869486,-0.121486949,-0.050619562,0.015185869,-0.560708994,-0.075929343,0.607434743,0,0,0.162635425,-0.043852356,-0.011805031,0.017655581,-0.043994806,-0.028376165,0.072814311,0,0,-0.045378849,-0.128360386,-0.053856766,-0.323622213,0.016289775,0.334154764,0,0,-0.1,-0.041666667,0.0125,-0.461538462,-0.0625,0.5,0,0,-0.1,-0.041666667,0.0125,-0.461538462,-0.0625,0.5,0,0,-0.1,-0.041666667,0.0125,-0.461538462,-0.0625,0.5,0,0,-0.1,-0.041666667,0.0125,-0.461538462,-0.0625,0.5,0,0,-0.1,-0.041666667,0.0125,-0.461538462,-0.0625,0.5,0,0,-0.269635941,-0.072585851,0.108559256,-0.270511827,-0.174477149,0.44771495,0,0,1.37394002,1.266503852,1.217803159,1.397757423,0.700626151,0.002679253,0,0,1.5,1.130952381,1.017857143,1.538461538,0.803571429,0,0,0,1.5,1.130952381,1.017857143,1.538461538,0.803571429,0,0,0,1.5,1.130952381,1.017857143,1.538461538,0.803571429,0,0,0,1.5,1.130952381,1.017857143,1.538461538,0.803571429,0,0,0,1.5,1.130952381,1.017857143,1.538461538,0.803571429,0,0,0,1.707978311,1.021172218,0.76859024,1.426443425,1.097986057,0,0,0,25.80825086,12.90412543,18.14019341,25.80825086,3.68689298,12.90413257,1.78E-15,0,0,0,4000004.229,571429.1756,10.64126418,25.80825086,12.90412543,18.14019341,25.80825086,3.68689298,12.90413257,1.78E-15,0,0,0,4000004.229,571429.1756,10.64126418,25.80825086,12.90412543,18.14019341,25.80825086,3.68689298,12.90413257,1.78E-15,0,0,0,4000004.229,571429.1756,10.64126418,25.80825086,12.90412543,18.14019341,25.80825086,3.68689298,12.90413257,1.78E-15,0,0,0,4000004.229,571429.1756,10.64126418,25.80825086,12.90412543,18.14019341,25.80825086,3.68689298,12.90413257,1.78E-15,0,0,0,4000004.229,571429.1756,10.64126418,25.80825086,12.90412543,18.14019341,25.80825086,3.68689298,12.90413257,1.78E-15,0,0,0,4000004.229,571429.1756,10.64126418,29.54117308,14.71185638,21.26165,29.45727285,4.208181836,14.7118575,-0.117460317,2.22E-16,3.17E-17,-25.23055737,4000004.123,571429.1604,10.64126416,0,11.89,12.11009426,-0.158911248,0.062820356,5.524376364,8.314253756,6,20,19,19,5,1,1,0,0,1,15.304898,3.576870491,2.902564078,2.845468358,2.139109863,1.598026915,1.472511966,0.333124688,0.083923071,1.900191781,1.563026335,1.505026487,1.018476414,0.769718516,0.607698402,0.083923071,0.083923071,3.596407201,2.950308951,2.892294398,2.206084254,1.695309721,1.565969172,0.463338498,0.270913902,1.848460365,1.473453684,1.414493482,0.905522179,0.630337185,0.47196189,0.270913902,0.270913902,3.68617235,3.155598408,3.095489574,2.488819214,2.090117344,1.947317474,0.957943414,0.943918427,1.704859824,1.195492746,1.13527835,0.542566335,0.162386152,0.017363809,0.943918427,0.943918427,3.611004527,2.985267979,2.926692233,2.254882417,1.765276817,1.63333687,0.555128054,0.399277246,1.816261445,1.415133181,1.355669245,0.830985382,0.536857124,0.381019047,0.399277246,0.399277246,3.732211593,3.252217518,3.191994659,2.618263328,2.26277616,2.114748025,1.207644823,1.207644823,1.662823713,1.104407163,1.044565447,0.419247416,0.004703131,0.144497933,1.15550033,1.207644823,3.606550465,3.031713175,3.016242499,2.342880338,1.814483785,1.721308326,0.646722783,0.552631579,1.813941039,1.352696166,1.245068323,0.731347362,0.45402711,0.267031898,0.552631579,0.552631579,0,0,0,1,1,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0.204124145,0,0,0,0.144337567,0,0,0,0.612372436,0.612372436,0,0.433012702,0.433012702,0,5.698670613,3.346065215,2.090770275,1.732050808,0.866025404,0,0,0,0.814095802,0.557677536,0.348461713,0.288675135,0.288675135,0,0,0,5.491563832,2.987345747,1.654030206,1.316496581,0.65824829,0,0,0,0.784509119,0.497890958,0.275671701,0.219416097,0.219416097,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,36,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,3,0,1,0,0,0,0,0,0,0,0,3,0,2,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,1.067361111,0.870833333,0,0.300694444,0,0,0,0,0,0,0,0,6.486111111,0,2.430555556,0,2.194444444,0,0,0,0,1.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.243402778,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.099537037,0,1.215277778,0,2.194444444,0,0,0,0,1.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.194444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.290277778,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.193287037,0,1.215277778,0,2.194444444,0,0,0,0,1.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.80952381,0.300694444,2.194444444,0.041666667,1.215277778,4.368638889,0.284722222,0.194444444,1.361111111,0.284722222,0.194444444,1.361111111,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.07079,0.86726,7.12629,1.0555,0.15079,2.77028,0.39575,3.34606,0.57578,0.08225,0.06794,0.00971,0.06794,0.00971,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.911092835,2.855904922,2.855904922,2.64674695,2.114511128,19.28421252,40.13294954,59.97400337,59.97400337,55.58168595,44.40473368,0.209068641,0.435098981,0.650204584,0.650204584,0.602585536,0.481411274,3.474021589,2.481224587,1.5364125,1.5364125,1.745570473,2.277806295,0.209068641,0.435098981,0.650204584,0.650204584,0.602585536,0.481411274,6.73287657,15.92600679,16.87821207,16.87821207,14.3683164,7.981486528,27.64912502,17.29583807,17.85206274,17.85206274,16.59711491,11.46523287,7,4.166666667,2.666666667,7,2,5,2.23,1.0519,0.75,4.326748711,1.5,0,1.5,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,3.184,6,6,3,0,0,0,0,0,0,28,2.079441542,2.302585093,2.397895273,1.791759469,0,0,0,0,0,0,3.663561646,1.357142857,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,1.5,0.666666667,0.375,0,0,0,0,0,0,0,0.25,0.111111111,0.0625,0,0,0,0,0,0,0,0.423611111,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,0,126.9918924,3.807354922,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,66.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921535632,98.10955045,4.671883355,12.6691974,1.809885343,0,0,0,48,6,3.3,24,1.214061726,2.10305665,2.985468263,3.867959799,4.510644829,4.826160221,0,0,0,0,73.93822584,76.22639929,94.86166275,81.96166545,23.41242738,4.903687659,0,0,0,0,277.7082929,328.7932868,422.0674328,486.8268031,282.2259065,150.0151309,0,0,0,0,8.830802614,14.93524761,21.07414466,27.39714199,30.98227573,32.4243837,0,0,0,0,2.102890776,2.700687816,3.541157443,4.395153037,3.141141302,2.145773115,0,0,0,0,174.0985961,327.8548861,474.9920628,605.2843994,780.1190382,892.4422163,0,0,0,0,2.787238195,3.835593073,5.198753933,7.047109468,6.208353134,4.826160221,0,0,0,0,0.435935643,0.56904934,0.749405998,0.939277011,0.695494693,0.494198807,0,0,0,0,308.7795497,123.8259954,8.388571501,61.26197304,-24.56712175,-3.682093443,247.5175767,148.3931171,12.07066494,0.834445679,0.334627299,0.022669271,0.165554321,-0.066390176,-0.009950487,114.2612548,45.82075989,3.104119772,22.66947379,-9.090855142,-1.362527465,0.141853805,0.219139887,1.29603395,1.971013023,370.0415228,0,1,0,389.5617231,19.73731803,7.303405699,529.9342841,23.02030156,8.092337845,621.8527879,24.93697632,8.535504492,1.38089626,1.359990262,417.7559452,290.1577799,143.5421037,1.439754417,2.910337347,2.021412342,4.073993044,3.545643581,6.918654327,0.951311284,5.791877606,4.759494379,4.657105252,14.55318488,11.32913555,5.336628272,9.920089575,7.139549124,7.802161982,2.374801653,0.916674587,0.253654478,0.515967315,2.10E-15,1.65E-51,2.50E-109,7.31E-189,4.12E-290,0,0,0,0,0,0,0,0,0,0,0,0,0.486077041,4.743446514,0.231775535,3.466580776,2.654929828,0.268983965,2.914484293,0.432662847,0.099587961,0.155572878,0.072469843,0.001786519,0.003634,1.48E-17,1.16E-53,1.76E-111,5.15E-191,2.90E-292,0,0,0,0,0,0,0,0,0,0,0,0,1.569104052,4.744518991,0.853010847,4.315098454,3.770917457,0.935176421,4.048834901,1.283235477,0.646254685,0.530900094,0.236880509,0.018616829,0.037869082,1.54E-16,1.21E-52,1.83E-110,5.36E-190,3.02E-291,0,0,0,0,0,0,0,0,0,0,0,0,5.467060297,4.757732509,4.286403131,13.37406959,10.56653014,4.896126049,9.386622816,6.545549386,6.967795144,2.211466864,0.862194851,0.22600158,0.459717588,1.87E-15,1.47E-51,2.23E-109,6.51E-189,3.67E-290,0,0,0,0,0,0,0,0,0,0,0,0,2.312568142,4.745909399,1.363221487,5.31757196,4.731373066,1.501829328,4.915313494,2.021064225,1.326044,0.811610716,0.352091776,0.040438216,0.082256706,3.35E-16,2.63E-52,3.99E-110,1.16E-189,6.56E-291,0,0,0,0,0,0,0,0,0,0,0,0,6.994529898,4.766902777,6.142948553,19.48708617,14.41565811,7.115515482,12.0140294,9.547109899,11.30340257,3.010752881,1.12156559,0.369931185,0.752489837,3.06E-15,2.41E-51,3.65E-109,1.07E-188,6.00E-290,0,0,0,0,0,0,0,0,0,0,0,0,3.302319878,4.396961968,2.081534213,6.650806863,6.630205845,2.135413772,5.890557603,2.865867933,2.48328445,1.276603846,0.542189569,0.077466539,0.157577275,6.42E-16,5.04E-52,7.64E-110,2.23E-189,1.26E-290,0,0,0,0,0,0,0,0,0,0,0,0,4.010787817,2.073916011,0.376670122,0.620732966,0.320971364,0.54844391,0.53141661,0.476020671,6.46137395,10.60996321,20.2044932,0.431099449,1.55588119,2.877226321,1.382368667,0.081204139,0.662833326,0.318459488,0.282253351,0.236125318,0.022123804,4.340799126,4.323284256,8.987063711,0.494249988,0.540502472,3.327440144,1.657028833,0.198553637,0.641988352,0.319703184,0.377488018,0.339262287,0.132269332,5.183022615,6.503348706,12.78112941,0.462982527,0.849019637,3.982724027,2.056795248,0.369355217,0.621438918,0.320929244,0.540796188,0.522679808,0.457711623,6.408874492,10.42237581,19.85687817,0.432158376,1.52118762,3.52811898,1.779456171,0.250861138,0.634732287,0.32013611,0.424390757,0.391239483,0.211139867,5.558436289,7.609597435,14.74297334,0.452098431,1.026770106,4.098648049,2.127516549,0.399571138,0.618595159,0.321098914,0.572734083,0.559237416,0.535663045,6.625735736,11.20773723,21.31770993,0.427892738,1.667634543,3.988567036,2.057768058,0.369376965,0.621687351,0.320738842,0.542345504,0.523088234,0.457765526,6.415712059,10.44092275,19.88831318,0.432531027,1.523199264 +UMLS0169,L,3-Ethyl-2-Pentene,CCC(=CC)CC,13159,,"Sandia, UML",[1],C7H14,PubChem,,13.1,0,0.0693,0.00480249,30.1528,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1577.550344,1642.863492,1049.043836,386.396809,87.883488,9.144576,0,3346.887898,3979.09551,4987.888639,5240.669144,4289.999718,2550.706399,1154.675865,279.7536999,0,152.568096,145.6753,259.249424,286.636152,311.269376,223.283044,143.482752,60.466176,0,23.35516286,28.53615172,37.79289304,39.9539312,33.68605599,23.58185018,13.35045943,4.001516144,0,3350.680532,2804.677982,5521.432194,6154.645747,6622.522955,5141.259865,3692.500067,1664.258868,0,92.05555556,56.72222222,94.16666667,110.0833333,133.5,68,27,9,0,69.4856748,68.35965826,46.39853953,43.23324979,26.8985599,12.87989363,4.184928,1.016064,0,167.3443949,209.4260795,146.702607,137.9123459,109.9999928,85.02354662,54.98456499,31.08374443,0,7.6284048,7.667121053,7.624983059,7.543056632,7.981266051,7.442768133,6.832512,6.718464,0,1.167758143,1.501902722,1.111555678,1.051419242,0.863745025,0.786061673,0.635736163,0.444612905,0,167.5340266,147.6146306,162.3950645,161.9643618,169.8082809,171.3753288,175.8333365,184.917652,0,4.602777778,2.985380117,2.769607843,2.896929825,3.423076923,2.266666667,1.285714286,1,0,0.269505657,-0.160634931,0.013089229,0.088035821,-0.057384909,-0.041804832,0.012896434,0.011050359,0,715.056216,-13.739645,119.254472,80.947092,-612.241636,-306.061991,166.9536,207.36,0,931.2646053,-148.2416011,102.7223183,-146.245463,-417.7504463,-248.2415601,128.2469715,263.877478,0,1.9334688,0.00145024,0.64351424,-0.01862352,-1.59332176,-0.5557088,0.34692336,0.20903184,0,4.097118945,-1.072153629,0.499338656,-1.675745333,-0.490932104,-0.383101928,0.183939983,0.890094883,0,23.01673804,-6.548761719,3.087389767,-10.93371879,-0.944701555,-1.033900707,0.461845853,4.403478133,0,37.60555556,-1.000277778,8.806666667,3.438333333,-28.4475,-10.375,4.9725,3.8025,0,0.013475283,-0.00845447,3.85E-04,0.002316732,-0.001471408,-0.001393494,6.14E-04,0.001227818,0,35.7528108,-0.723139211,3.507484471,2.130186632,-15.69850349,-10.20206637,7.950171429,23.04,0,46.56323026,-7.80218953,3.021244656,-3.848564816,-10.71154991,-8.27471867,6.106998644,29.31971978,0,0.09667344,7.63E-05,0.018926889,-4.90E-04,-0.040854404,-0.018523627,0.01652016,0.02322576,0,0.204855947,-0.056429138,0.014686431,-0.044098561,-0.012588003,-0.012770064,0.008759047,0.098899431,0,1.150836902,-0.344671669,0.090805581,-0.287729442,-0.024223117,-0.034463357,0.02199266,0.489275348,0,1.880277778,-0.052646199,0.259019608,0.090482456,-0.729423077,-0.345833333,0.236785714,0.4225,0,-0.627405758,0.028569147,0.171924564,-0.1091931,-0.103411144,0.045573508,0.091116285,0,-0.02022608,0.09810374,0.059580956,-0.439084456,-0.28535005,0.222364934,0.644424857,0,-0.167561174,0.064884774,-0.082652445,-0.230043101,-0.177709292,0.131154961,0.629675382,0,7.90E-04,0.195781689,-0.005069569,-0.422602155,-0.191610298,0.170886233,0.240249649,0,-0.275457653,0.071691504,-0.2152662,-0.06144807,-0.0623368,0.042757103,0.482775496,0,-0.299496539,0.078903953,-0.250017567,-0.021048262,-0.029946343,0.019110145,0.425147427,0,-0.02799916,0.137756033,0.048121856,-0.38793368,-0.183926725,0.125931241,0.224700842,0,1.614377019,1.031814043,1.044440898,1.498355621,0.79612244,0.092659922,0.032333808,0,1.04922138,0.890865298,0.904510365,1.542213185,1.186900274,0.459555111,0,0,1.505949528,0.973881522,1.11845331,1.067296894,1.012326263,0.656161652,0,0,0.713221749,0.771811478,0.876815287,2.093785333,1.151047451,0.033293529,0,0,1.749688453,0.998761092,1.276073199,0.881583528,0.8641304,0.666742434,0,0,1.787392882,0.997733486,1.311363166,0.869859622,0.827389598,0.644694439,0,0,0.591667898,0.547967377,0.910400355,2.302209166,1.141010489,0.072177785,0,0,30.30966979,15.40483489,22.79672018,30.68466979,3.835583724,15.40483562,0.5,0.142311184,0.017788898,-1.559791344,29.99903271,3.749879089,2.720932111,30.31938333,15.40895725,22.80220878,30.6932817,3.836660213,15.40895797,0.498531158,0.14196674,0.017745843,-1.561729978,29.99209681,3.749012101,2.720747126,39.13386299,19.16793702,28.27925623,38.53537127,4.816921409,19.16793703,-0.797988956,0.144158309,0.018019789,-1.54947457,41.2651445,5.158143063,2.976014548,30.3295786,15.4132841,22.80797089,30.7023208,3.8377901,15.41328482,0.4969896,0.14160523,0.017700654,-1.563769729,29.98485613,3.748107016,2.720553967,48.75409381,23.29475264,35.09551086,47.13065241,5.891331551,23.29475264,-2.164588529,0.340515097,0.042564387,-0.861836654,41.90034755,5.237543444,2.988235297,31.33045267,15.83836052,23.38025302,31.59015395,3.948769243,15.83836097,0.346268372,0.106219262,0.013277408,-1.793799853,29.46142199,3.682677748,2.706465343,34.19803463,17.34095476,26.80018909,34.6782478,4.334780975,17.34095489,1.095833333,0.301564296,0.037695537,-0.959017626,40.01505932,5.001882414,2.951404693,0,11.99635523,15.99825889,-0.3493946,0.264054594,4.193306313,7.72387889,7,19,18,18,6,1,1,0,0,1,15.992484,3.586614086,3.050932489,2.688763771,2.466585324,1.797501059,1.123331266,1.049369143,0.083923071,1.845537054,1.473606042,1.403631446,0.977876722,0.720705554,0.25806702,0.083923071,0.083923071,3.520143755,2.956189774,2.711441848,2.395720859,1.85513588,1.144602724,0.634090801,0.270913902,1.817854331,1.454123158,1.320258814,0.965531105,0.684064053,0.19132646,0.270913902,0.270913902,3.672453382,3.219906517,2.96785034,2.69850979,2.221055269,1.621067384,1.25583111,0.943918427,1.630469028,1.138124051,0.990264609,0.617674041,0.248010656,0.348786291,0.943918427,0.943918427,3.517648614,2.943329862,2.740639752,2.393110899,1.903582328,1.204335644,0.465143438,0.399277246,1.809572149,1.446007806,1.260698968,0.962252031,0.620695279,0.111699033,0.399277246,0.399277246,3.698999882,3.266825189,3.072077576,2.760569365,2.365328351,1.799003449,1.209058028,1.207644823,1.593964866,1.082863397,0.891068854,0.553237071,0.113774169,0.520042781,1.207644823,1.207644823,4.750095844,3.358525648,3.218009482,2.875758846,2.108873097,1.861717195,1.372793263,0.571428571,1.73401754,1.174928325,1.064287175,0.635454813,0.327523256,0.247580593,0.571428571,0.571428571,0,0,1,0,0,2,1,1,0,0,0,0,0,0,0,0,0,0,0,0.471404521,0,0.166666667,0,0.252236668,0,0.034020691,0,1.276142375,1.138071187,0.666666667,0.501036548,0.366153904,0.185395406,6.568914101,3.718744015,2.771064349,2.259305623,0.804737854,0.166666667,0,0,0.821114263,0.531249145,0.346383044,0.282413203,0.201184464,0.166666667,0,0,5.600953631,2.797877056,1.8324556,1.215925826,0.36785113,0.083333333,0,0,0.700119204,0.399696722,0.22905695,0.151990728,0.091962783,0.083333333,0,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.2055,31.471,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,52,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.98453704,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.554930556,0.5125,0,0,0,0,0,0,0,0,0,0,5.22412037,0,0.853842593,0,0,0,0.055555556,0,0,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,4.463935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.463935185,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305625,0.5125,0,0,0,0,0,0,0,0,0,0,1.411203704,0,0.853842593,0,0,0,0.055555556,0,0,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,4.463935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,1.959907407,0,0.853842593,0,0,0,0.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,4.463935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21,2.625,0.555902778,10.52060185,0.305625,-0.118055556,2.708629074,1.784722222,3.520601852,8.969074074,1.784722222,3.520601852,8.969074074,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.5,0.27273,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,6.01086,0.75136,9.0653,3.05444,0.38181,2.61947,0.32743,3.71873,1.09926,0.13741,0.19527,0.02441,0.19527,0.02441,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,2.070950594,3.20869497,3.50869497,3.50869497,2.97650216,25.90923688,41.41901189,64.17389939,70.17389939,70.17389939,59.5300432,0.299741647,0.479172848,0.742422109,0.811835573,0.811835573,0.688697751,3.026466251,2.2509775,1.113233125,0.813233125,0.813233125,1.345425935,0.299741647,0.479172848,0.742422109,0.811835573,0.811835573,0.688697751,12.01211119,21.71746765,23.96333241,24.26567992,24.26567992,17.87936621,29.38046565,17.93632218,16.47566766,15.81239862,15.81239862,14.61239862,8,3.9375,2.8125,8,3,4,1.9,1.0284,0.766309432,1.5,2.941682753,0,0,1.414213562,0,1,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.426,0.519,0.065,3.13,8,8,4,1,0,0,0,0,0,36,2.197224577,2.397895273,2.48490665,1.791759469,0.693147181,0,0,0,0,0,3.784189634,1.194444444,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,5,0.666666667,2,1.333333333,0.375,0.08,0,0,0,0,0,0,0.285714286,0.166666667,0.046875,0.02,0,0,0,0,0,0,0.519255952,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,26.3,127.2763612,4,3.433987204,4.143134726,4.875197323,5.609471795,6.34738921,7.085901464,7.825245291,8.564649133,9.304285985,72.18926213,2.708050201,0,3.850147602,0,5.209486153,0,6.642486801,0,8.103191752,8.371242136,116.0837296,5.804186481,14.49160575,1.811450719,5.077950154,5.077950154,0,68,8,1.356,30,1.230631579,2.10680655,2.889819559,3.564355007,4.389057371,5.349143907,6.79785035,0,0,0,94.58963281,108.879308,134.2715988,109.9193985,66.98196976,25.72757282,6.907051018,0,0,0,279.0386343,334.0250429,419.7085069,420.5430219,408.4064773,319.3254527,211.302643,0,0,0,9.500427541,16.18242679,21.88119533,28.39829995,33.03790729,36.6683616,45.67111286,0,0,0,1.953218228,2.479943116,3.152770837,3.243312831,3.65623049,3.602197189,3.022411991,0,0,0,180.0610686,338.2988374,465.0751377,599.7410964,745.7202625,930.9777688,1257.042526,0,0,0,3.768368421,6.155369749,8.568111114,12.1888228,10.529112,7.178776614,6.79785035,0,0,0,0.448387105,0.58516517,0.763555305,0.837353471,0.877974645,0.799509797,0.696099876,0,0,0,338.8200805,252.8657596,12.13944192,164.8720833,-123.0461445,-19.66429084,173.9479972,375.9119041,31.80373275,0.672672924,0.502024407,0.024100915,0.327327076,-0.244288384,-0.039040295,170.6610194,127.3665016,6.114541767,83.04477637,-61.97737876,-9.904749199,0.353778497,0.427092014,1.602123358,5.011195418,451.6892906,52.00287319,0.896756636,0.103243364,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,1014.28531,31.84784625,10.04739274,1.668155058,1.539546775,495.0290116,420.3362583,114.1531504,1.177697621,4.336533946,3.682213386,3.944755798,4.193003682,7.360793762,0.755494228,3.360032699,4.293005079,4.847085292,13.03653433,5.42563327,6.213619808,4.709670526,6.92449559,2.374204484,2.223323768,2.948224338,4.632195514,0.369242764,0.28803231,3.60E-18,8.68E-57,4.04E-117,3.62E-199,6.27E-303,0,0,0,0,0,0,0,0,0,0,0,0.298491782,4.443993348,0.459935393,5.033334073,0.865177266,1.931167879,1.053191497,0.452676845,0.104612005,0.19714718,1.142479908,0.09781656,0.002600846,0.002028635,2.54E-20,6.12E-59,2.84E-119,2.55E-201,4.41E-305,0,0,0,0,0,0,0,0,0,0,0,0.91615042,4.162909296,0.960463538,5.676574558,1.42686024,1.991644784,1.545504477,1.349794795,0.380200438,0.405365579,1.47887639,0.507466843,0.027100943,0.021139942,2.64E-19,6.37E-58,2.96E-118,2.66E-200,4.60E-304,0,0,0,0,0,0,0,0,0,0,0,3.176711882,4.443571398,5.562891658,13.12722209,5.14893918,6.26586238,4.803179225,6.740578564,2.172501974,2.546897185,2.826288627,4.172091108,0.32898882,0.256631602,3.21E-18,7.74E-57,3.60E-117,3.23E-199,5.58E-303,0,0,0,0,0,0,0,0,0,0,0,1.342655413,4.056105554,1.136391886,6.278302855,1.889307533,2.244065512,1.863317619,1.99973526,0.625287002,0.47736995,1.719361229,0.941864208,0.058866282,0.045918779,5.74E-19,1.38E-57,6.44E-118,5.78E-200,9.99E-304,0,0,0,0,0,0,0,0,0,0,0,4.057749124,4.388466877,6.806722368,16.29955632,7.120441514,8.109368509,6.038994012,9.209891697,3.205201203,3.168040706,3.412629123,6.542984811,0.538505091,0.420068054,5.25E-18,1.27E-56,5.89E-117,5.28E-199,9.14E-303,0,0,0,0,0,0,0,0,0,0,0,2.084251054,4.107910035,5.401829337,11.90086805,3.553270293,6.692271969,4.213229246,4.836292578,1.122234779,2.00545607,2.499279873,1.789440542,0.120570079,0.094051366,1.18E-18,2.84E-57,1.32E-117,1.18E-199,2.05E-303,0,0,0,0,0,0,0,0,0,0,0,4.977041903,1.156823915,0.501467609,0.750081659,0.174342997,0.496886923,0.42534389,0.442705071,6.635333427,8.833496125,18.35605995,0.625122488,1.364935885,3.585743667,0.840383992,0.170110926,0.780147419,0.182841682,0.259222114,0.238256437,0.047460256,4.596238585,3.766334251,8.875185367,0.670221128,0.544938807,4.208466049,0.909937418,0.298046752,0.776978626,0.16799516,0.355437207,0.264656551,0.157578491,5.416450219,5.354964259,11.91276685,0.665467939,0.777672248,4.864206345,1.148659577,0.486435341,0.748419891,0.176735857,0.474784285,0.420494959,0.418896424,6.499301263,8.512187688,17.7293575,0.622629837,1.314175668,4.513127767,0.968652356,0.358859871,0.772711171,0.165846955,0.408505259,0.298067827,0.22683464,5.840639994,6.338842749,13.74829316,0.659066756,0.933407726,5.053318218,1.190294538,0.526301703,0.746437529,0.175821208,0.512259998,0.450398332,0.487872485,6.769914459,9.3009611,19.23654719,0.619656293,1.450530815,4.881928224,1.163583272,0.489716548,0.747017272,0.178047845,0.478429683,0.431814877,0.422940946,6.535228045,8.641117039,17.95819464,0.620525908,1.333185507 +UMLS0170,L,Methyl 2-methylbutanoate,CCC(C)C(=O)OC,13357,"""Methyl 2-methylbutyrate ""","Sandia, UML",[11],C6H12O2,PubChem,,11.4,0,2.4075,5.79605625,48.6502,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2115.628885,2089.387452,1445.789695,659.955074,268.554553,78.738912,9.144576,4670.34144,5841.481647,7996.552878,8627.150907,7353.404818,4796.070567,2180.670932,874.9221648,279.7536999,169.463656,175.052008,300.446356,343.926768,382.5223,355.86164,245.8801,83.016576,60.466176,34.11358067,43.47862034,61.85917094,68.87187532,63.83170571,46.76284309,23.70180291,9.348943289,4.001516144,3856.790689,3411.659229,6406.831556,7256.509721,8465.861487,8392.495636,6344.551342,2028.241198,1664.258868,48.58333333,59.27777778,86.77777778,101.6111111,102,82.66666667,44.5,18,9,60.70275442,67.17251842,50.37211631,43.52890525,26.77388324,12.94029557,7.459848694,6.561576,1.016064,194.59756,243.3950686,190.3941161,179.7323106,136.1741633,94.04059935,60.57419257,72.9101804,31.08374443,7.060985667,7.293833667,7.153484667,7.165141,7.083746296,6.977679216,6.830002778,6.918048,6.718464,1.421399194,1.811609181,1.472837403,1.434830736,1.182068624,0.916918492,0.658383414,0.779078607,0.444612905,160.6996121,142.1524679,152.5436085,151.1772859,156.7752127,164.558738,176.2375373,169.0200999,184.917652,2.024305556,2.469907407,2.066137566,2.116898148,1.888888889,1.620915033,1.236111111,1.5,1,0.044186467,4.99E-05,0.002029488,-0.019525218,-0.019804894,-0.008500781,0.020543343,-0.002701841,0.005816779,706.2183858,-1.07E-13,186.6434305,-211.8655158,-489.308453,-350.5869844,373.2868611,-50.44417042,189.1656391,1313.243245,1.28E-13,347.0714291,-393.9729735,-909.8899627,-651.9314681,694.1428581,-93.80308893,351.7615835,0.138343333,2.23E-15,0.036562167,-0.041503,-0.095852167,-0.068677583,0.073124333,-0.009881667,0.03705625,5.870808328,1.37E-14,1.551570772,-1.761242498,-4.067631485,-2.914436992,3.103141545,-0.419343452,1.572537945,31.89032402,-1.08E-13,8.428157061,-9.567097205,-22.09543878,-15.83126799,16.85631412,-2.277880287,8.542051076,4.572916667,-0.982638889,1.973090278,-1.305555556,-2.1015625,-3.23828125,2.859375,-0.619791667,1.12890625,0.001841103,2.08E-06,4.83E-05,-4.07E-04,-3.67E-04,-1.67E-04,5.71E-04,-2.25E-04,6.46E-04,29.42576608,-4.44E-15,4.443891203,-4.413864911,-9.061267649,-6.874254596,10.36907947,-4.203680868,21.01840434,54.71846854,5.33E-15,8.263605454,-8.207770282,-16.84981412,-12.78296996,19.28174606,-7.816924078,39.08462039,0.005764306,9.31E-17,8.71E-04,-8.65E-04,-0.00177504,-0.001346619,0.002031231,-8.23E-04,0.004117361,0.244617014,5.71E-16,0.036942161,-0.036692552,-0.075326509,-0.057145823,0.086198376,-0.034945288,0.174726438,1.328763501,-4.51E-15,0.200670406,-0.199314525,-0.409174792,-0.310417019,0.468230948,-0.189823357,0.949116786,0.190538194,-0.040943287,0.04697834,-0.027199074,-0.038917824,-0.063495711,0.079427083,-0.051649306,0.125434028,0.001129093,0.026245762,-0.220941155,-0.199205224,-0.090533776,0.309949242,-0.122292698,0.351044392,-1.51E-16,0.151020408,-0.15,-0.307936508,-0.233613445,0.352380952,-0.142857143,0.714285714,9.74E-17,0.151020408,-0.15,-0.307936508,-0.233613445,0.352380952,-0.142857143,0.714285714,1.62E-14,0.151020408,-0.15,-0.307936508,-0.233613445,0.352380952,-0.142857143,0.714285714,2.34E-15,0.151020408,-0.15,-0.307936508,-0.233613445,0.352380952,-0.142857143,0.714285714,-3.40E-15,0.151020408,-0.15,-0.307936508,-0.233613445,0.352380952,-0.142857143,0.714285714,-0.214882308,0.246556026,-0.142748671,-0.204252088,-0.333244004,0.416856492,-0.271070615,0.658314351,1.092528721,0.944599508,1.303133184,1.311679442,1.06830243,0.358169934,0.775066023,0.00519054,1.15,0.891836735,1.191071429,1.277777778,1.121008403,0.438095238,0.985714286,0,1.15,0.891836735,1.191071429,1.277777778,1.121008403,0.438095238,0.985714286,0,1.15,0.891836735,1.191071429,1.277777778,1.121008403,0.438095238,0.985714286,0,1.15,0.891836735,1.191071429,1.277777778,1.121008403,0.438095238,0.985714286,0,1.15,0.891836735,1.191071429,1.277777778,1.121008403,0.438095238,0.985714286,0,1.408757277,0.660302997,1.193368767,1.203070953,1.310822279,0.285244242,1.257403189,0,38.61068635,19.30534317,27.38964142,38.61068635,3.861068635,19.30534319,-7.11E-15,0.169678752,0.016967875,-1.773848323,185.1490211,18.51490211,5.22116102,38.61068635,19.30534317,27.38964142,38.61068635,3.861068635,19.30534319,-7.11E-15,0.169678752,0.016967875,-1.773848323,185.1490211,18.51490211,5.22116102,38.61068635,19.30534317,27.38964142,38.61068635,3.861068635,19.30534319,-7.11E-15,0.169678752,0.016967875,-1.773848323,185.1490211,18.51490211,5.22116102,38.61068635,19.30534317,27.38964142,38.61068635,3.861068635,19.30534319,-7.11E-15,0.169678752,0.016967875,-1.773848323,185.1490211,18.51490211,5.22116102,38.61068635,19.30534317,27.38964142,38.61068635,3.861068635,19.30534319,-7.11E-15,0.169678752,0.016967875,-1.773848323,185.1490211,18.51490211,5.22116102,38.61068635,19.30534317,27.38964142,38.61068635,3.861068635,19.30534319,-7.11E-15,0.169678752,0.016967875,-1.773848323,185.1490211,18.51490211,5.22116102,43.83736953,21.69356624,31.3187123,43.79203619,4.379203619,21.69356624,-0.113333333,0.293508879,0.029350888,-1.225847388,71.0223614,7.10223614,4.262994777,0,11.85,12.1501118,-0.208324538,0.091798717,5.644071363,8.915574733,10,24,21,18,4,3,0,0,0,6,15.304898,3.843110289,3.15613707,2.889803706,2.655871051,2.137357965,2.025766193,1.485213476,0.754789267,2.016846438,1.636932938,1.469087897,1.272940197,0.905672091,0.873542463,0.498127709,0.017329647,3.852994976,3.184831064,2.925204077,2.696330965,2.198960701,2.08646271,1.571891795,0.866804758,1.986858889,1.562522364,1.382002879,1.182541621,0.807069153,0.758834173,0.376342835,0.112938471,3.898972176,3.319771688,3.091080596,2.876872127,2.450911295,2.347982156,1.917191242,1.320455266,1.90871805,1.348121825,1.125619322,0.913502481,0.497456888,0.399120886,0.020961885,0.598902364,3.860400354,3.206486181,2.95192418,2.726254732,2.2433739,2.130904131,1.633923174,0.947841594,1.968743129,1.515322503,1.326286016,1.124395548,0.743370267,0.683221643,0.296276126,0.204195858,3.923128016,3.389557344,3.175839308,2.966522976,2.562454758,2.472110681,2.064355685,1.511023517,1.886894218,1.284384934,1.047783838,0.830659232,0.390078926,0.282569317,0.164599501,0.786938712,3.856932922,3.203206889,3.004285908,2.802537619,2.337318824,2.183218591,1.67404049,1.032681497,1.968868569,1.490036953,1.250370548,1.026699931,0.649826522,0.610375385,0.227171758,0.286322768,0,0,0,3,3,3,1,0,0,0,0,0,0.068041382,0.184195286,0,0,0,0.024056261,0.065122868,0.691044062,0,0.11785113,0,0.413066307,0,0.058925565,0,1.409242502,1.947505821,2.068381304,0.759097843,0.949717817,0.856668607,7.560477932,4.736382105,4.063836075,3.133525958,2.334582796,1.39430162,0.830066507,0.144337567,0.756047793,0.473638211,0.312602775,0.208901731,0.145911425,0.087143851,0.075460592,0.048112522,6.939157589,3.798694043,2.783492337,1.878997269,1.242490418,0.600846766,0.345352477,0.051031036,0.693915759,0.379869404,0.214114795,0.125266485,0.077655651,0.037552923,0.03139568,0.017010345,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.30504,43.1,42.42846762,57.795472,84.85693524,8.485693524,42.42846762,0.053496032,0.005349603,-2.928147804,87.75845902,8.775845902,4.474588257,84,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,3,0,0,0,0,0,0,0,0,3,0,1,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.85907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.130763889,0,0.645277778,0,0,1.130763889,0,0,0,0,0,0,0,0,6.495972222,0,1.144953704,0,0,6.62037037,0,0,0,0,4.238703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.356203704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368819444,0,0.285972222,0,0,0.368819444,0,0,0,0,0,0,0,0,2.131388889,0,1.144953704,0,0,2.172453704,0,0,0,0,1.356203704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.234953704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.386597222,0,0.359305556,0,0,0.386597222,0,0,0,0,0,0,0,0,2.19212963,0,1.144953704,0,0,2.234953704,0,0,0,0,1.463518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.5,1.85,0.386597222,2.234953704,0.121944444,1.144953704,6.185359167,0.355046296,0.234953704,2.232685185,0.355046296,0.234953704,2.232685185,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.3,0.3,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.10892,0.71089,12.02929,4.92036,0.49204,2.65706,0.26571,4.73636,2.0793,0.20793,0.17764,0.01776,0.26364,0.02636,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.321695404,3.29248125,3.490601563,3.704986856,3.90726823,23.51685016,55.72068971,79.01955001,83.77443751,88.91968454,93.77443751,0.213713581,0.506371732,0.718104292,0.761315182,0.808073535,0.852191971,3.605093744,2.263267096,1.29248125,1.094360938,0.879975645,0.677694271,0.206076118,0.48827557,0.692441461,0.734108128,0.779195481,0.82173726,6.772325919,18.0677644,22.48567837,23.60136356,24.73344101,24.93730524,37.92632204,26.17699528,19.8948625,18.26591511,16.64285407,16.00802031,8.1,3.408284024,1.991111111,2,6,2,2.56,1.28,0.655185349,4.326341831,3.834843528,0,2.749459274,7.308366373,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.1,0.505,0.68,4.871,13,15,16,16,11,3,1,0,0,95,2.63905733,3.198673118,3.669951444,4.092259056,4.504659004,4.226833745,3.168897455,2.151035195,0,0,5.804946698,3.483552632,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,6,1,2.5,1.333333333,0.6875,0.453333333,0.118055556,0,0,0,0,0,0.25,0.102564103,0.057291667,0.064761905,0.059027778,0,0,0,0,0,0.533645452,24.00245224,34.54275701,48.00490447,4.800490447,24.00245224,0.044527248,0.004452725,-3.111653957,79.31449926,7.931449926,4.373420953,0,150.3504702,4.321928095,3.850147602,4.634728988,5.459585514,6.263398263,7.090909822,7.899153483,8.726643416,9.536112711,10.36334614,83.82402594,3.044522438,0,4.290459441,0,5.752572639,0,7.311218384,0,8.912069098,9.141311786,134.1095504,5.587897935,19.39801301,1.939801301,0,0,0,116,12,3.722,46,1.235345989,2.146048944,3.024812692,3.79503956,4.580498804,5.389465487,6.622885574,7.003494044,0,0,92.61138514,119.6903279,141.6444958,111.899496,64.40388667,44.9505653,43.76375752,7.115998172,0,0,323.1774761,440.049377,570.154322,549.1842699,450.3079016,344.0516171,485.1927336,217.694819,0,0,9.041223086,15.41637707,21.72519902,26.96863582,32.02533085,36.86619385,45.82849614,47.05272261,0,0,2.360044781,3.347743201,4.495727074,4.692887416,4.334227991,3.667979187,5.178276008,3.113843831,0,0,173.6889854,322.8148262,453.6631364,588.6382447,748.8616313,945.5498736,1118.520145,1295.069675,0,0,3.13938262,4.626783148,6.562347623,7.415657403,7.583013265,6.802440772,9.962025577,7.003494044,0,0,0.485982744,0.695623792,0.939578708,0.994522712,0.937089032,0.809585082,1.137649147,0.71715779,0,0,315.6373847,153.0495828,10.46409889,97.52226818,-47.28762554,-4.719488356,218.1151165,200.3372083,15.18358724,0.763959846,0.370436904,0.025327011,0.236040154,-0.114453638,-0.011422917,130.4086323,63.23391249,4.323343463,40.29226647,-19.53733895,-1.949902171,0.128462849,0.126331365,1.886995939,1.140236957,413.1596529,0,1,0,731.2346257,27.04135029,9.00918661,867.4900677,29.45318434,9.537213474,1291.055861,35.93126579,10.88884154,1.579234721,1.493067257,673.2317749,511.4496662,207.7712121,1.316320685,3.240255317,2.461600243,4.410442774,4.389329297,7.686849735,0.751258385,4.149702385,5.585879541,4.095456209,12.29993709,5.539479642,4.924274165,9.316484898,7.454797309,6.743488758,7.070866384,2.19998747,3.523409314,2.350105866,1.77048424,7.09E-05,2.00E-29,1.30E-75,1.68E-143,4.20E-233,0,0,0,0,0,0,0,0,0,0,0,0.348365374,4.824851572,0.304025844,6.697070664,1.759690606,1.377821353,0.994157726,1.084748085,0.963185319,0.400573824,0.098723472,0.17922092,0.193038827,0.012469665,4.99E-07,1.41E-31,9.17E-78,1.18E-145,2.96E-235,0,0,0,0,0,0,0,0,0,0,0,1.124299299,4.87570538,1.006935847,7.553024057,2.124613717,1.895853485,2.546426824,2.203323178,1.822453839,1.350906145,0.375234274,0.52083183,0.625913296,0.129943526,5.20E-06,1.47E-30,9.55E-77,1.23E-144,3.09E-234,0,0,0,0,0,0,0,0,0,0,0,3.916987257,5.502325481,3.838229487,11.85515097,5.164237663,4.634331289,8.755172806,7.00055235,6.276199883,6.517041044,2.017434822,3.198042725,2.215423669,1.577469582,6.32E-05,1.78E-29,1.16E-75,1.50E-143,3.75E-233,0,0,0,0,0,0,0,0,0,0,0,1.656953614,4.941639642,1.510543422,8.226036607,2.495853635,2.312594703,3.655508385,3.025136769,2.507511864,2.125378211,0.610301573,0.856589712,0.925273843,0.282254703,1.13E-05,3.19E-30,2.07E-76,2.68E-144,6.70E-234,0,0,0,0,0,0,0,0,0,0,0,5.011341757,5.937212998,5.076370668,14.06234645,7.092158126,6.080496917,11.45361453,9.209641495,8.602432251,9.286608061,2.937113929,4.865070473,2.851757431,2.58208487,1.03E-04,2.92E-29,1.90E-75,2.45E-143,6.13E-233,0,0,0,0,0,0,0,0,0,0,0,2.343514045,4.543963605,1.948645883,9.036643234,3.104813842,2.837043701,5.0713472,4.013915636,3.547023076,3.206767496,0.848749,1.376494884,1.357405596,0.517307302,2.07E-05,5.85E-30,3.80E-76,4.91E-144,1.23E-233,0,0,0,0,0,0,0,0,0,0,0,5.313814889,2.267557274,0.458131197,0.660963078,0.282051909,0.519943005,0.461855773,0.369983152,8.03950336,15.52264271,29.08234276,0.491444618,1.35178193,3.663101029,1.380783909,0.175037538,0.701888377,0.264572604,0.247371498,0.171934644,0.05365823,5.218922476,5.94082016,12.04507392,0.552832566,0.472964372,4.249320213,1.695780865,0.275632631,0.683089875,0.272601424,0.3327033,0.25889183,0.133481424,6.220733708,8.844579756,17.05149902,0.524634813,0.725076554,5.265161443,2.241428695,0.449793265,0.661753108,0.281714515,0.510476787,0.451313052,0.35659922,7.956383403,15.17789763,28.44250903,0.492629662,1.318389058,4.537814733,1.850765319,0.325109855,0.675904725,0.275670361,0.379334121,0.30816083,0.185913853,6.713689907,10.47542046,19.91952277,0.513857088,0.873408804,5.469240225,2.351023412,0.484765406,0.658545587,0.28308431,0.550766175,0.496346975,0.414390381,8.305029043,16.64930509,31.18759888,0.48781838,1.461503531,5.267318608,2.244895539,0.449539277,0.661577711,0.281959943,0.510898293,0.452754451,0.356223705,7.961753424,15.20161536,28.47898195,0.492366567,1.319876448 +UMLS0171,L,"1,3-dimethyl-4-ethylbenzene",CCC1=C(C=C(C=C1)C)C,13403,,"Sandia, UML",[1],C10H14,PubChem,,4.7,0,2.4075,5.79605625,48.6502,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2115.628885,2210.453461,1512.335839,669.09965,147.488544,12.192768,0,4670.34144,5841.481647,7996.552878,8852.27832,7855.32205,5075.824267,1955.543519,373.0049332,0,169.463656,175.052008,300.446356,343.950484,384.917308,416.327816,245.856384,80.621568,0,34.11358067,43.47862034,61.85917094,69.87829961,67.84529414,50.76435923,22.69537863,5.335354858,0,3856.790689,3411.659229,6406.831556,7261.976634,8275.090861,10056.7545,6339.08443,2219.011824,0,48.58333333,59.38888889,86.11111111,100.6666667,107.6666667,92,46,12,0,60.70275442,67.17251842,50.37211631,46.05111377,28.00621924,11.15166083,4.096904,1.016064,0,194.59756,243.3950686,190.3941161,184.422465,145.4689269,84.59707111,54.3206533,31.08374443,0,7.060985667,7.293833667,7.153484667,7.165635083,7.128098296,6.938796933,6.829344,6.718464,0,1.421399194,1.811609181,1.472837403,1.455797909,1.256394336,0.846072654,0.630427184,0.444612905,0,160.6996121,142.1524679,152.5436085,151.2911799,153.2424234,167.6125751,176.0856786,184.917652,0,2.024305556,2.474537037,2.05026455,2.097222222,1.99382716,1.533333333,1.277777778,1,0,0.044218389,-3.50E-04,2.04E-04,-0.007306453,-0.035782249,-0.002752419,0.013726223,0.010151986,0,706.2183858,-7.82E-14,186.6434305,-90.79950675,-791.9734755,-161.4213453,252.2208521,252.2208521,0,1313.243245,2.42E-13,347.0714291,-168.8455601,-1472.708496,-300.1698846,469.0154447,469.0154447,0,0.138343333,2.23E-15,0.036562167,-0.017787,-0.155142167,-0.031621333,0.049408333,0.049408333,0,5.870808328,1.35E-14,1.551570772,-0.754818214,-6.583692197,-1.341899046,2.09671726,2.09671726,0,31.89032402,-1.08E-13,8.428157061,-4.100184516,-35.7627205,-7.289216918,11.38940143,11.38940143,0,4.572916667,-0.871527778,1.306423611,0.458333333,-4.559895833,-1.098958333,0.973958333,1.505208333,0,0.001842433,-1.46E-05,4.86E-06,-1.52E-04,-6.63E-04,-4.59E-05,3.81E-04,8.46E-04,0,29.42576608,-3.26E-15,4.443891203,-1.891656391,-14.66617547,-2.690355756,7.00613478,21.01840434,0,54.71846854,1.01E-14,8.263605454,-3.517615835,-27.27237956,-5.00283141,13.0282068,39.08462039,0,0.005764306,9.31E-17,8.71E-04,-3.71E-04,-0.002873003,-5.27E-04,0.001372454,0.004117361,0,0.244617014,5.62E-16,0.036942161,-0.015725379,-0.121920226,-0.022364984,0.058242146,0.174726438,0,1.328763501,-4.51E-15,0.200670406,-0.085420511,-0.662272602,-0.121486949,0.316372262,0.949116786,0,0.190538194,-0.036313657,0.031105324,0.009548611,-0.084442515,-0.018315972,0.027054398,0.125434028,0,-0.007920239,0.002635454,-0.082617814,-0.359651768,-0.024898408,0.206945929,0.459174857,0,-1.11E-16,0.151020408,-0.064285714,-0.498412698,-0.091428571,0.238095238,0.714285714,0,1.84E-16,0.151020408,-0.064285714,-0.498412698,-0.091428571,0.238095238,0.714285714,0,1.62E-14,0.151020408,-0.064285714,-0.498412698,-0.091428571,0.238095238,0.714285714,0,2.30E-15,0.151020408,-0.064285714,-0.498412698,-0.091428571,0.238095238,0.714285714,0,-3.40E-15,0.151020408,-0.064285714,-0.498412698,-0.091428571,0.238095238,0.714285714,0,-0.190584662,0.16324981,0.050113895,-0.443178942,-0.096127563,0.14198937,0.658314351,0,1.102374338,0.958423635,1.133180018,1.400743548,0.934437635,0.61034231,0.10148746,0,1.15,0.891836735,1.108928571,1.496825397,0.952857143,0.547619048,0,0,1.15,0.891836735,1.108928571,1.496825397,0.952857143,0.547619048,0,0,1.15,0.891836735,1.108928571,1.496825397,0.952857143,0.547619048,0,0,1.15,0.891836735,1.108928571,1.496825397,0.952857143,0.547619048,0,0,1.15,0.891836735,1.108928571,1.496825397,0.952857143,0.547619048,0,0,1.385472032,0.740138121,0.908124525,1.513540876,1.019893698,0.698557327,0,0,37.57627844,18.78813922,26.10202704,37.57627844,3.757627844,18.78813925,1.07E-14,0.22455578,0.022455578,-1.493631141,72.08522069,7.208522069,4.27784904,37.57627844,18.78813922,26.10202704,37.57627844,3.757627844,18.78813925,1.07E-14,0.22455578,0.022455578,-1.493631141,72.08522069,7.208522069,4.27784904,37.57627844,18.78813922,26.10202704,37.57627844,3.757627844,18.78813925,1.07E-14,0.22455578,0.022455578,-1.493631141,72.08522069,7.208522069,4.27784904,37.57627844,18.78813922,26.10202704,37.57627844,3.757627844,18.78813925,1.07E-14,0.22455578,0.022455578,-1.493631141,72.08522069,7.208522069,4.27784904,37.57627844,18.78813922,26.10202704,37.57627844,3.757627844,18.78813925,1.07E-14,0.22455578,0.022455578,-1.493631141,72.08522069,7.208522069,4.27784904,37.57627844,18.78813922,26.10202704,37.57627844,3.757627844,18.78813925,1.07E-14,0.22455578,0.022455578,-1.493631141,72.08522069,7.208522069,4.27784904,43.04654935,21.29036599,30.16512613,42.97854935,4.297854935,21.29036599,-0.113333333,0.312372917,0.031237292,-1.163557557,135.7755739,13.57755739,4.911003331,0,11.89,12.11015511,-0.151818315,0.068387272,5.683369143,9.07776985,10,24,21,18,4,3,0,0,0,6,15.304898,3.846909094,3.122321072,2.901283259,2.685768631,2.235992105,1.865611891,1.520085449,0.758188477,2.018342845,1.628483208,1.412168643,1.374673045,0.956722904,0.730061973,0.478578581,0.18055894,3.856567764,3.153653141,2.930387218,2.73345402,2.288732,1.930033774,1.607005634,0.882486871,1.988558705,1.552065998,1.328639714,1.28185799,0.855501593,0.614890614,0.374240312,0.027830468,3.901677691,3.298653164,3.069237245,2.944671006,2.510686195,2.201124824,1.950192324,1.383849734,1.911274392,1.328676326,1.098854039,0.986669735,0.553343016,0.253165905,0.010313113,0.526479178,3.863813591,3.177177186,2.952442721,2.768740361,2.327027905,1.976817518,1.669142988,0.972127981,1.970595084,1.503347105,1.276975946,1.220212938,0.790795188,0.539291381,0.304303192,0.078493661,3.925483248,3.37232118,3.142427368,3.046746776,2.614061708,2.327095565,2.091983333,1.596539596,1.889800388,1.260978004,1.0324903,0.891167222,0.455857466,0.134181728,0.130213509,0.735057644,3.857125986,3.178317422,3.018164765,2.839225263,2.398182705,2.036457725,1.701424413,1.085330102,1.975684696,1.475730199,1.185583669,1.126769558,0.716555442,0.456139888,0.258538688,0.197008156,0,0,0,3,3,3,1,0,0,0,0,0,0.068041382,0.184195286,0,0,0,0.024056261,0.065122868,0.594819017,0,0.232307808,0,0.37139964,0,0.12319982,0,1.686559579,2.180576515,2.49969678,0.971646346,1.105708272,1.102459419,7.560477932,4.753218858,3.935632246,3.399896793,2.268323312,1.386046817,0.60309862,0.295712282,0.756047793,0.475321886,0.302740942,0.21249355,0.141770207,0.092403121,0.067010958,0.059142456,6.939157589,3.804677108,2.712587923,2.097713139,1.194875001,0.60128604,0.2277499,0.109107988,0.693915759,0.380467711,0.208660609,0.131107071,0.074679688,0.040085736,0.025305544,0.021821598,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.30504,43.1,43.00395044,58.45756684,86.00790087,8.600790087,43.00395044,0.035158925,0.003515892,-3.347876783,60.64279888,6.064279888,4.105000896,78,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,3,0,0,0,0,0,0,0,0,3,0,1,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.80759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.169375,0,0.645277778,0,0,1.169375,0,0,0,0,0,0,0,0,6.546064815,0,1.146342593,0,0,6.48412037,0,0,0,0,4.323472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.402175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.285972222,0,0,0.380972222,0,0,0,0,0,0,0,0,2.161203704,0,1.146342593,0,0,2.126157407,0,0,0,0,1.402175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.196759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.39875,0,0.359305556,0,0,0.39875,0,0,0,0,0,0,0,0,2.196203704,0,1.146342593,0,0,2.196759259,0,0,0,0,1.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.5,1.85,0.39875,2.196759259,0.116319444,1.146342593,6.183883565,0.353657407,0.196759259,2.06037037,0.353657407,0.196759259,2.06037037,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.3,0.3,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.24564,0.72456,12.12433,4.87869,0.48787,2.65798,0.2658,4.7532,2.09522,0.20952,0.1608,0.01608,0.2468,0.02468,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.321695404,3.209147917,3.490601563,3.704986856,3.90726823,23.51685016,55.72068971,77.01955001,83.77443751,88.91968454,93.77443751,0.213713581,0.506371732,0.699928934,0.761315182,0.808073535,0.852191971,3.605093744,2.263267096,1.375814584,1.094360938,0.879975645,0.677694271,0.206076118,0.48827557,0.674915635,0.734108128,0.779195481,0.82173726,6.772325919,18.0677644,21.48567837,23.60136356,24.73344101,24.93730524,37.92632204,26.17699528,21.18734375,18.26591511,16.64285407,16.00802031,8.1,3.408284024,1.75,2,6,2,2.56,1.28,0.766309432,3.947850755,4.441492163,0,3.14734519,6.233208625,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.1,0.505,0.68,4.871,13,16,16,15,9,5,1,0,0,95,2.63905733,3.198673118,3.70745584,4.092259056,4.453620288,4.123093976,3.595598464,2.151035195,0,0,5.813664005,3.514144737,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,5,0.666666667,2,1.555555556,0.8125,0.453333333,0.0625,0,0,0,0,0,0.2,0.11965812,0.0625,0.064761905,0.03125,0,0,0,0,0,0.478170024,23.2906377,32.53527811,46.5812754,4.65812754,23.2906377,0.089622164,0.008962216,-2.412152624,63.30068695,6.330068695,4.147896181,0,150.3504702,4.321928095,3.850147602,4.65396035,5.476463552,6.29710932,7.123672785,7.947678571,8.774776816,9.599608345,10.42670607,84.15012341,3.044522438,0,4.290459441,0,5.771441123,0,7.353081921,0,8.976009475,9.199582715,134.1095504,5.587897935,19.39843663,1.939843663,0,0,0,113,13,3.722,46,1.235345989,2.146135604,3.021156414,3.803120662,4.36460615,5.104093343,5.90603021,0,0,0,92.61138514,119.5397752,148.5341309,113.7079805,53.28665254,22.05869529,6.000904679,0,0,0,323.1774761,439.7051078,583.0372299,573.5953672,387.6550163,285.9142025,183.5815336,0,0,0,9.041223086,15.41650878,21.70310647,27.15436997,30.34801161,34.89891572,39.67945135,0,0,0,2.360044781,3.345917844,4.553035496,4.901884329,3.821188864,3.286981162,2.625897248,0,0,0,173.6889854,322.8582978,453.2070571,579.5496751,726.7281256,895.4675376,1092.129239,0,0,0,3.146905573,4.581306719,6.510139176,7.719595575,6.83990388,6.625378464,5.90603021,0,0,0,0.485982744,0.69527464,0.950073198,1.037942308,0.830038035,0.731987991,0.604777493,0,0,0,279.556324,135.4216736,10.04354901,95.25796527,-46.1445225,-4.813389441,184.2983587,181.5661961,14.85693845,0.745852898,0.361303391,0.026796068,0.254147102,-0.123113029,-0.012842065,104.7817049,50.75797834,3.764465683,35.70404655,-17.2956264,-1.804127142,0.128065664,0.12645479,3.221206057,1.189072955,374.8142892,0,1,0,731.2346257,27.04135029,9.00918661,867.4900677,29.45318434,9.537213474,1315.04327,36.26352534,10.95586522,1.387093022,1.357998571,604.7932063,399.2513316,251.7382182,1.514818257,2.402468766,1.585978221,4.292303775,4.001863032,7.138102735,0.783694914,4.149702385,4.819683419,5.047006734,11.05145909,5.025513188,8.294133102,9.58297962,7.884516866,6.529622484,6.232127622,3.27706189,2.512684418,0.14850832,2.05E-06,5.47E-33,2.81E-81,2.78E-151,5.32E-243,0,0,0,0,0,0,0,0,0,0,0,0,0.348365374,4.81945519,0.295275059,6.264101433,1.87008095,1.421921308,0.8241989,1.039439243,0.829609567,0.3567048,0.091389002,0.017890989,0.001045956,1.44E-08,3.85E-35,1.98E-83,1.96E-153,3.75E-245,0,0,0,0,0,0,0,0,0,0,0,0,1.124299299,4.81947092,1.037073486,6.93150975,2.219822624,2.285679377,2.503181731,2.110183914,1.700561732,1.25703606,0.416015258,0.184915109,0.01089967,1.51E-07,4.01E-34,2.06E-82,2.04E-152,3.91E-244,0,0,0,0,0,0,0,0,0,0,0,0,3.916987257,4.819658531,4.675403825,10.64878582,4.72820885,7.682738445,9.008258372,7.349967742,6.077180112,5.766673544,2.966837519,2.238890124,0.132318239,1.83E-06,4.87E-33,2.50E-81,2.48E-151,4.74E-243,0,0,0,0,0,0,0,0,0,0,0,0,1.656953614,4.81949088,1.614031759,7.481648723,2.547307725,3.038664509,3.688076876,2.94215571,2.385304862,1.963854973,0.73554952,0.401183066,0.023675541,3.27E-07,8.71E-34,4.48E-82,4.44E-152,8.49E-244,0,0,0,0,0,0,0,0,0,0,0,0,5.011341757,4.819787963,6.514519854,12.66681344,6.244530308,10.7743583,11.75464457,9.994851399,8.322319957,8.075582675,4.556483776,3.663881474,0.216585427,2.99E-06,7.97E-33,4.10E-81,4.06E-151,7.77E-243,0,0,0,0,0,0,0,0,0,0,0,0,2.343512132,4.36129512,2.266220534,7.962402735,3.138028584,3.932013649,5.060873701,4.118933231,3.141905156,3.000881439,1.216915736,0.734903477,0.043391766,5.99E-07,1.60E-33,8.21E-82,8.14E-152,1.56E-243,0,0,0,0,0,0,0,0,0,0,0,0,4.096043654,2.543388461,0.465339841,0.576520074,0.357983124,0.542546547,0.459696818,0.363943464,7.104771956,13.50742245,25.46002584,0.401754797,1.366186829,2.836066198,1.763837124,0.17355243,0.594132709,0.369509474,0.267875199,0.230248481,0.050050399,4.773455752,5.800683246,11.44231053,0.445463275,0.548174079,3.277970065,2.046237998,0.277282359,0.585196049,0.365302418,0.35204035,0.305490742,0.128452541,5.601490422,8.183815875,15.64517963,0.425747702,0.785983632,4.058349056,2.5209702,0.45675093,0.576792009,0.358292361,0.532777647,0.45212272,0.350561536,7.036070185,13.23608722,24.94516567,0.402626555,1.335461902,3.49807259,2.182583274,0.328281399,0.582144968,0.363222843,0.398860621,0.344958816,0.180409408,6.008937264,9.499688383,18.01499987,0.418051716,0.924228844,4.216609661,2.614855162,0.492774098,0.575706187,0.357013908,0.574434285,0.484242049,0.408372101,7.324238922,14.39219246,27.14967164,0.399080143,1.467048435,4.059654857,2.526793035,0.456475823,0.576416134,0.358770468,0.533182892,0.454472586,0.350343899,7.042923715,13.26446184,24.98987237,0.402779902,1.337999378 +UMLS0172,L,"1,2-dimethyl-3-ethylbenzene",CCC1=CC=CC(=C1C)C,13621,Sandia values from independent API report ,Sandia,,C10H14,PubChem,,8.5,0,2.4075,5.79605625,48.6502,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2115.628885,1968.321443,1500.30956,838.422651,223.179264,21.337344,0,4670.34144,5841.481647,7996.552878,8402.023493,7076.615,5243.361512,2737.21445,652.758633,0,169.463656,175.052008,300.446356,343.903052,380.151008,297.814188,308.717568,141.087744,0,34.11358067,43.47862034,61.85917094,67.86545104,60.82454156,47.78133966,30.7104832,9.336871002,0,3856.790689,3411.659229,6406.831556,7251.042808,8662.099025,6542.933055,7812.572672,3883.270693,0,48.58333333,59.16666667,87.5,102.3333333,94.33333333,78.5,61,21,0,60.70275442,67.17251842,50.37211631,41.00669673,27.78351037,19.96244407,4.9595392,1.016064,0,194.59756,243.3950686,190.3941161,175.0421561,131.0484259,124.8419408,60.82698779,31.08374443,0,7.060985667,7.293833667,7.153484667,7.164646917,7.039833481,7.090814,6.8603904,6.718464,0,1.421399194,1.811609181,1.472837403,1.413863563,1.126380399,1.137650944,0.682455182,0.444612905,0,160.6996121,142.1524679,152.5436085,151.0633918,160.4092412,155.7841204,173.612726,184.917652,0,2.024305556,2.465277778,2.083333333,2.131944444,1.74691358,1.869047619,1.355555556,1,0,0.044177339,4.58E-04,0.003376148,-0.033194634,0.00943025,-0.026188679,0.008045283,0.015984739,0,706.2183858,-1.07E-13,186.6434305,-332.9315248,-65.57742154,-721.351637,138.7214686,441.3864911,0,1313.243245,1.85E-13,347.0714291,-619.100387,-121.9440156,-1341.384172,257.9584946,820.7770282,0,0.138343333,2.23E-15,0.036562167,-0.065219,-0.012846167,-0.141307833,0.027174583,0.086464583,0,5.870808328,1.35E-14,1.551570772,-2.767666783,-0.545146488,-5.996611364,1.153194493,3.669255205,0,31.89032402,-1.08E-13,8.428157061,-15.03400989,-2.961244373,-32.5736881,6.264170789,19.93145251,0,4.572916667,-1.09375,2.6953125,-3.291666667,0.388020833,-3.596354167,-0.022135417,2.634114583,0,0.001840722,1.91E-05,8.04E-05,-6.92E-04,1.75E-04,-6.24E-04,1.79E-04,7.61E-04,0,29.42576608,-4.44E-15,4.443891203,-6.936073432,-1.214396695,-17.17503898,3.082699303,21.01840434,0,54.71846854,7.70E-15,8.263605454,-12.89792473,-2.258222511,-31.93771837,5.73241099,39.08462039,0,0.005764306,9.31E-17,8.71E-04,-0.001358729,-2.38E-04,-0.003364472,6.04E-04,0.004117361,0,0.244617014,5.62E-16,0.036942161,-0.057659725,-0.010095305,-0.142776461,0.025626544,0.174726438,0,1.328763501,-4.51E-15,0.200670406,-0.313208539,-0.054837859,-0.775564002,0.139203795,0.949116786,0,0.190538194,-0.045572917,0.064174107,-0.068576389,0.007185571,-0.08562748,-4.92E-04,0.125434028,0,0.010372383,0.043670066,-0.375697529,0.094872677,-0.33874742,0.097127118,0.413521343,0,-1.51E-16,0.151020408,-0.235714286,-0.041269841,-0.583673469,0.104761905,0.714285714,0,1.41E-16,0.151020408,-0.235714286,-0.041269841,-0.583673469,0.104761905,0.714285714,0,1.62E-14,0.151020408,-0.235714286,-0.041269841,-0.583673469,0.104761905,0.714285714,0,2.30E-15,0.151020408,-0.235714286,-0.041269841,-0.583673469,0.104761905,0.714285714,0,-3.40E-15,0.151020408,-0.235714286,-0.041269841,-0.583673469,0.104761905,0.714285714,0,-0.239179954,0.336804426,-0.359908884,0.037711972,-0.449397982,-0.002581625,0.658314351,0,1.082672436,0.935907449,1.47885774,1.065173967,1.216068989,0.663273956,0.06099797,0,1.15,0.891836735,1.273214286,0.985714286,1.548979592,0.700952381,0,0,1.15,0.891836735,1.273214286,0.985714286,1.548979592,0.700952381,0,0,1.15,0.891836735,1.273214286,0.985714286,1.548979592,0.700952381,0,0,1.15,0.891836735,1.273214286,0.985714286,1.548979592,0.700952381,0,0,1.15,0.891836735,1.273214286,0.985714286,1.548979592,0.700952381,0,0,1.432042521,0.573814947,1.501898254,0.811102674,1.461980692,0.894153379,0,0,38.53025099,19.2651255,26.8881896,38.53025099,3.853025099,19.26512552,-1.78E-14,0.216181165,0.021618117,-1.531638495,125.1290739,12.51290739,4.829345796,38.53025099,19.2651255,26.8881896,38.53025099,3.853025099,19.26512552,-1.78E-14,0.216181165,0.021618117,-1.531638495,125.1290739,12.51290739,4.829345796,38.53025099,19.2651255,26.8881896,38.53025099,3.853025099,19.26512552,-1.78E-14,0.216181165,0.021618117,-1.531638495,125.1290739,12.51290739,4.829345796,38.53025099,19.2651255,26.8881896,38.53025099,3.853025099,19.26512552,-1.78E-14,0.216181165,0.021618117,-1.531638495,125.1290739,12.51290739,4.829345796,38.53025099,19.2651255,26.8881896,38.53025099,3.853025099,19.26512552,-1.78E-14,0.216181165,0.021618117,-1.531638495,125.1290739,12.51290739,4.829345796,38.53025099,19.2651255,26.8881896,38.53025099,3.853025099,19.26512552,-1.78E-14,0.216181165,0.021618117,-1.531638495,125.1290739,12.51290739,4.829345796,42.67594717,21.28130692,30.24889862,42.58528051,4.258528051,21.28130692,-0.113333333,0.332127974,0.033212797,-1.10223492,74.59299727,7.459299727,4.312046632,0,11.89,12.11015511,-0.154936059,0.065451967,5.604774866,8.758384842,10,24,21,18,4,3,0,0,0,6,15.304898,3.840718655,3.138562425,2.978981869,2.548678893,2.133049839,2.024738679,1.606083482,0.441365589,2.015819743,1.637997224,1.493916978,1.228362559,0.914674848,0.783323018,0.696858794,0.083923071,3.850737835,3.169462254,3.0085188,2.593942196,2.194050957,2.082600027,1.696155252,0.545672476,1.985714418,1.56243022,1.412300855,1.132231268,0.810867055,0.682662645,0.568593834,0.270913902,3.897231429,3.31237007,3.149926772,2.797001194,2.444624277,2.324156623,2.064841634,0.963720007,1.907066126,1.341962329,1.180117151,0.837979593,0.491405199,0.369849397,0.132554171,0.943918427,3.858238178,3.192653601,3.030937363,2.627548685,2.238049652,2.124567978,1.761188079,0.621114151,1.967509294,1.514295407,1.360731895,1.069711602,0.743896014,0.617333107,0.482073153,0.399277246,3.921595778,3.384992436,3.224500232,2.896957888,2.557189734,2.434292052,2.226558792,1.207644823,1.885033972,1.275241337,1.11246322,0.745099247,0.383805062,0.264988018,0.023976977,1.133948601,3.856851715,3.188647246,3.074486071,2.697515362,2.324415891,2.211911445,1.808222707,0.671528041,1.963725304,1.491148219,1.289379225,0.978395834,0.660080924,0.524402188,0.399287259,0.540540541,0,0,0,3,3,3,1,0,0,0,0,0,0.068041382,0.184195286,0,0,0,0.024056261,0.065122868,0.781474414,0,0,0,0.451184464,0,0,0,1.106493072,1.939002773,2.123985745,0.569035594,0.893507645,0.881573481,7.560477932,4.719545353,4.191723906,2.853492644,2.446966379,1.498266827,0.736781144,0.232307808,0.756047793,0.471954535,0.3224403,0.203820903,0.143939199,0.093641677,0.066980104,0.058076952,6.939157589,3.792710979,2.849514921,1.689722705,1.273107889,0.691905074,0.289763533,0.092946256,0.693915759,0.379271098,0.219193455,0.120694479,0.074888699,0.043244067,0.026342139,0.023236564,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.30504,43.1,42.39970848,56.88146748,84.79941695,8.479941695,42.39970848,0.028487176,0.002848718,-3.558301252,41.38118518,4.138118518,3.722826313,82,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,3,0,0,0,0,0,0,0,0,3,0,1,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.87990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.115138889,0,0.645277778,0,0,1.115138889,0,0,0,0,0,0,0,0,6.478703704,0,1.141388889,0,0,6.693611111,0,0,0,0,4.186296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.372083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368819444,0,0.285972222,0,0,0.368819444,0,0,0,0,0,0,0,0,2.145,0,1.141388889,0,0,2.2075,0,0,0,0,1.372083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.243055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.3775,0,0.359305556,0,0,0.3775,0,0,0,0,0,0,0,0,2.188703704,0,1.141388889,0,0,2.243055556,0,0,0,0,1.44212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.5,1.85,0.3775,2.243055556,0.128472222,1.141388889,6.187598426,0.358611111,0.243055556,2.34462963,0.358611111,0.243055556,2.34462963,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.3,0.3,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.0737,0.70737,12.00622,4.93252,0.49325,2.65615,0.26561,4.71953,2.06338,0.20634,0.19447,0.01945,0.28047,0.02805,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.321695404,3.094360938,3.094360938,3.022055209,3.136842188,23.51685016,55.72068971,74.26466251,74.26466251,72.52932501,75.28421252,0.213713581,0.506371732,0.674893401,0.674893401,0.659123212,0.684158745,3.605093744,2.263267096,1.490601563,1.490601563,1.562907292,1.448120313,0.206076118,0.48827557,0.650774795,0.650774795,0.635568183,0.659709023,6.772325919,18.0677644,20.10823462,20.10823462,20.95137768,21.41280685,37.92632204,26.17699528,23.20614063,23.20614063,22.20626615,21.26453698,8.1,3.408284024,2.285714286,2,6,2,2.56,1.28,0.646330407,4.369015052,3.75793905,0,2.672696154,7.592428719,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.1,0.505,0.68,4.871,13,14,17,16,11,4,0,0,0,95,2.63905733,3.198673118,3.630985476,4.141148628,4.47946523,4.274928499,3.270044111,0,0,0,5.797576354,3.457894737,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,5,0.666666667,3,0.666666667,0.9375,0.533333333,0.0625,0,0,0,0,0,0.3,0.051282051,0.085227273,0.066666667,0.020833333,0,0,0,0,0,0.524009324,23.93687696,33.60373194,47.87375392,4.787375392,23.93687696,0.095067747,0.009506775,-2.353165513,55.90993035,5.590993035,4.023742009,0,150.3504702,4.321928095,3.850147602,4.615120517,5.451038454,6.232448017,7.072421901,7.857480787,8.697679732,9.483796737,10.32380843,83.58394218,3.044522438,0,4.290459441,0,5.733341277,0,7.273092596,0,8.859505485,9.092794808,134.1095504,5.587897935,19.39835886,1.939835886,0,0,0,116,11,3.722,46,1.235345989,2.14613564,3.023126316,3.779920527,4.876526301,5.728721045,6.155417697,0,0,0,92.61138514,119.5401995,134.3217597,121.7157255,103.4833925,28.42004432,6.254298327,0,0,0,323.1774761,439.7061021,555.8282805,545.62004,633.1483088,348.5229018,191.3334306,0,0,0,9.041223086,15.41651039,21.70827874,26.73434175,34.66126722,39.30155898,41.3549522,0,0,0,2.360044781,3.345923256,4.428079475,4.57229361,5.717227159,3.910091603,2.736778143,0,0,0,173.6889854,322.8582189,453.3588213,597.2397873,753.3303681,994.5552906,1138.245388,0,0,0,3.134646353,4.672086852,6.579956763,6.913580702,9.323347777,7.766341476,6.155417697,0,0,0,0.485982744,0.695275682,0.926961632,0.967067063,1.220991452,0.866997606,0.630314772,0,0,0,305.9258055,148.4809892,9.898484912,94.31450573,-45.77551436,-4.478760963,211.6112998,194.2565035,14.37724588,0.764355306,0.370979597,0.024731354,0.235644694,-0.114370075,-0.01119018,122.4438396,59.42807732,3.961772682,37.74846713,-18.32120612,-1.792580682,0.128342421,0.126228683,2.379247276,1.210765169,400.2403112,0,1,0,731.2346257,27.04135029,9.00918661,867.4900677,29.45318434,9.537213474,1278.362498,35.75419553,10.85303842,1.289121589,1.128137663,696.9601114,448.1010743,293.3166241,1.555363625,2.376135732,1.527704322,4.595966024,4.42147441,7.506148996,0.697657455,4.149702385,4.819679965,3.89331814,10.78344827,4.169526954,6.375796091,8.004612866,4.974914214,8.875657838,8.194650102,5.332366792,5.354714464,1.178379301,0.996384899,2.56E-11,1.27E-43,1.21E-97,2.23E-173,7.93E-271,0,0,0,0,0,0,0,0,0,0,0,0.348365374,4.819455166,0.286995614,6.287949388,0.977118733,1.291438459,0.680281608,0.94370908,2.7376119,0.443647863,0.157492392,0.059556956,0.008712217,0.00701762,1.80E-13,8.93E-46,8.53E-100,1.57E-175,5.59E-273,0,0,0,0,0,0,0,0,0,0,0,1.124299299,4.819470666,0.952003814,6.977416751,1.305948088,1.844392683,2.046140839,1.703335586,3.829438596,1.588830397,0.654647421,0.449125317,0.087546925,0.073129014,1.88E-12,9.30E-45,8.89E-99,1.64E-174,5.82E-272,0,0,0,0,0,0,0,0,0,0,0,3.916987257,4.819655453,3.647382073,10.42752167,3.859890801,5.893003862,7.510518377,4.705758609,8.442906529,7.565556523,4.817756946,4.785994566,1.050198976,0.887761007,2.28E-11,1.13E-43,1.08E-97,1.99E-173,7.07E-271,0,0,0,0,0,0,0,0,0,0,0,1.656953614,4.819490329,1.429627832,7.518459848,1.627527872,2.367946827,3.022120436,2.243569191,4.626771184,2.504705448,1.161951129,0.921808959,0.189147826,0.158845991,4.08E-12,2.02E-44,1.93E-98,3.56E-174,1.27E-271,0,0,0,0,0,0,0,0,0,0,0,5.011341757,4.819782925,4.832475517,12.19293052,5.445634887,8.358119538,9.885916029,5.996873584,10.54264281,10.6994176,7.462331259,7.738101132,1.71720904,1.453133734,3.73E-11,1.85E-43,1.77E-97,3.26E-173,1.16E-270,0,0,0,0,0,0,0,0,0,0,0,2.343510226,4.358314823,1.790880133,8.524775905,2.256917466,3.278105926,3.891869209,2.733705433,5.440955736,3.704622516,1.933654686,1.647578101,0.345872506,0.291127801,7.48E-12,3.70E-44,3.54E-98,6.52E-174,2.32E-271,0,0,0,0,0,0,0,0,0,0,0,4.684819699,3.18971374,0.450096814,0.5627661,0.383165816,0.562868157,0.463736043,0.353651064,8.324630253,18.48753617,33.53806833,0.418897873,1.380255264,3.185799007,2.021365549,0.168971125,0.592581586,0.375988567,0.261781367,0.18691238,0.049825164,5.376135681,7.319524812,13.78377783,0.452855229,0.498518912,3.718060163,2.436489092,0.26882992,0.578832428,0.379315782,0.355693694,0.271183402,0.126146084,6.423379175,10.71354002,19.57225294,0.437222314,0.753023179,4.640627769,3.155299826,0.441813201,0.563337435,0.383029753,0.552368417,0.453825561,0.340753542,8.237740796,18.08691572,32.79393812,0.419550782,1.34694752,3.980039392,2.640688807,0.317962799,0.573600899,0.380574493,0.407172679,0.318337757,0.176479629,6.938690998,12.61519074,22.89568521,0.431263087,0.901990066,4.825995574,3.29964353,0.476558455,0.561018919,0.383581464,0.597071492,0.496106877,0.396455961,8.602197558,19.79640709,35.98735249,0.416900574,1.48963433,4.641436223,3.158941445,0.441421612,0.563158124,0.383282987,0.552363753,0.45477516,0.340128505,8.24179928,18.10528054,32.81921464,0.419661667,1.347267419 +UMLS0173,L,"1,3-dimethyl-5-ethylbenzene",CCC1=CC(=CC(=C1)C)C,13627,Sandia values from independent api report ,Sandia,,C10H14,PubChem,,2.5,0,-0.7283,0.53042089,26.0355,19.363516,0,0,19,7,12,0,6,0,1,0,0,0,0,0,0,0,1133.745495,1250.933639,1748.286641,970.478884,379.464793,90.93168,9.144576,0,0,3130.497121,4099.882909,5806.458828,5014.63543,3017.199652,1247.927098,279.7536999,0,0,139.21638,143.181932,278.64554,347.049616,249.87178,163.638144,60.466176,0,0,22.71195886,29.98571172,43.97209679,42.77165811,30.39111696,14.68429815,4.001516144,0,0,3165.229247,2778.12901,5853.260723,7704.073178,6026.600299,4247.253023,1664.258868,0,0,40.30555556,41.58333333,77.61111111,88.33333333,50,30,9,0,0,59.67081553,65.83861258,47.2509903,21.09736704,10.54068869,3.78882,1.016064,0,0,164.7630063,215.783311,156.9313197,109.0138137,83.81110144,51.99696242,31.08374443,0,0,7.327177895,7.535891158,7.530960541,7.54455687,6.940882778,6.818256,6.718464,0,0,1.195366256,1.578195354,1.188435048,0.929818655,0.844197693,0.611845756,0.444612905,0,0,166.591013,146.2173163,158.1962357,167.4798517,167.4055639,176.9688759,184.917652,0,0,2.121345029,2.188596491,2.097597598,1.920289855,1.388888889,1.25,1,0,0,0.165298351,-0.050337219,0.015175343,-0.082217834,0.01665283,0.012194843,0.005882862,0,0,605.7336044,26.87660126,53.0162135,-538.4146738,-162.7608036,154.8088722,163.6069882,0,0,916.6964704,-57.43271798,-110.1828243,-359.2832208,-360.451527,183.8632426,245.1388123,0,0,1.062550737,0.044922105,-0.004122593,-0.93114431,0.095101972,0.165635701,0.098331756,0,0,4.063287563,-0.589622532,-1.204566866,-0.034686677,-1.715487269,0.568411578,0.944307985,0,0,22.47243353,-3.774319208,-7.814252053,2.196808705,-9.44115416,2.703813462,4.892886488,0,0,6.970760234,-1.464912281,2.564250539,-6.686518929,0.572945522,0.58079409,0.948060942,0,0,0.008699913,-0.002649327,4.10E-04,-0.001787344,4.63E-04,5.08E-04,6.54E-04,0,0,31.88071602,1.414557961,1.432870635,-11.70466682,-4.521133433,6.450369675,18.17855424,0,0,48.24718265,-3.022774631,-2.977914172,-7.8105048,-10.01254242,7.660968442,27.23764581,0,0,0.055923723,0.002364321,-1.11E-04,-0.020242268,0.002641721,0.006901488,0.010925751,0,0,0.21385724,-0.031032765,-0.032555861,-7.54E-04,-0.047652424,0.023683816,0.104923109,0,0,1.18275966,-0.198648379,-0.211196001,0.047756711,-0.262254282,0.112658894,0.543654054,0,0,0.366882118,-0.077100646,0.069304069,-0.145359107,0.015915153,0.024199754,0.105340105,0,0,-0.304523422,0.047143505,-0.205443914,0.053170485,0.058405003,0.075133091,0,0,0.044370332,0.044944744,-0.367139396,-0.141814049,0.202328256,0.570205331,0,0,-0.062651837,-0.061722032,-0.1618852,-0.20752595,0.15878582,0.564543758,0,0,0.04227761,-0.001992382,-0.361962089,0.04723794,0.123408943,0.195368801,0,0,-0.145109723,-0.152231747,-0.003525989,-0.222823525,0.110745915,0.490622199,0,0,-0.167953293,-0.17856206,0.040377359,-0.221730831,0.095250876,0.459648797,0,0,-0.210151007,0.1889001,-0.396201123,0.043379474,0.06596057,0.287122483,0,0,1.254007249,1.346859936,2.004738307,0.0940265,0.072380356,0,0,0,1.160958813,1.081127481,1.429757543,0.899400391,0.449700195,0,0,0,1.43156131,1.156115058,1.042991253,1.105135007,0.552567504,0,0,0,0.861961564,1.369063731,2.155353895,0.100439439,0.05021972,0,0,0,1.583569344,1.267067827,0.881092163,1.114592362,0.557296181,0,0,0,1.617158618,1.305828384,0.85677381,1.094723767,0.547361884,0,0,0,1.19295302,1.052659623,1.98032171,0.292890101,0.322776846,0,0,0,21.94395169,11.09697585,15.88826369,22.12252312,3.160360446,11.09702462,0.25,4.44E-16,6.34E-17,-24.74535435,2000015.784,285716.5405,10.15606594,21.95016249,11.09971404,15.89343258,22.12820933,3.161172762,11.09976266,0.249265579,1.11E-16,1.59E-17,-25.7157604,2000015.786,285716.5409,10.15606594,27.64706537,13.62403545,20.71272983,27.36206932,3.908867046,13.62403899,-0.398994478,4.44E-16,6.34E-17,-24.74535435,2000018.483,285716.9262,10.15606689,21.95668145,11.10258812,15.89885827,22.13417774,3.162025391,11.1026366,0.2484948,0,0,0,2000015.788,285716.5412,10.15606594,34.29965946,16.45684434,26.13184278,33.83581907,4.833688438,16.45684457,-1.082294264,0,0,0,2000021.984,285717.4263,10.15606811,22.59739766,11.38526593,16.43374771,22.72106494,3.24586642,11.38530152,0.173134186,5.55E-16,7.93E-17,-24.58915386,2000016.027,285716.5752,10.15606603,22.44451474,11.40413568,15.66763799,22.70434089,3.24347727,11.40417397,0.363756614,7.77E-16,1.11E-16,-24.35362329,2000013.904,285716.2721,10.15606528,0,11.89,15.99491614,-0.374758005,0.128277811,5.414824243,6.983785878,7,19,19,19,7,0,0,0,0,0,15.034484,3.637341493,2.933810622,2.540474142,1.983448554,1.840573327,0.98819579,0.520957431,0.083923071,1.784392849,1.670970152,1.296410032,0.931385695,0.49606759,0.430007647,0.083923071,0.083923071,3.594256087,2.974228832,2.579792638,1.918428202,1.830446829,1.111527094,0.425665687,0.270913902,1.720804688,1.655507939,1.191241112,0.854895526,0.392216966,0.279396622,0.270913902,0.270913902,3.747455414,3.153618635,2.827980236,2.24427433,2.244248759,1.597243875,1.070926942,0.943918427,1.534222857,1.415564124,0.856807739,0.444741192,0.132086456,0.227674607,0.943918427,0.943918427,3.593563261,3.00414231,2.618027587,1.975003119,1.814387295,1.199329816,0.426533569,0.399277246,1.680334487,1.648045789,1.122087157,0.804819001,0.321575664,0.178221864,0.399277246,0.399277246,3.781195371,3.240986499,2.939203255,2.39175294,2.316416166,1.802727072,1.208225193,1.207644823,1.476327506,1.372997755,0.744668785,0.328061113,0.288339426,0.408464249,1.207644823,1.207644823,3.798926805,3.120135224,2.764244687,2.499639391,2.063760885,1.323494493,1.050598591,0.620689655,1.655997818,1.441394662,0.946737482,0.56803912,0.069492934,0.042586336,0.620689655,0.620689655,0,0,0,0,0,2,4,0,0,0,0,0.11785113,0.23570226,0.11785113,0,0,0.068041382,0.136082763,0.068041382,0.577350269,0,0,0,0.333333333,0,0,0,0.741581624,1.040440115,0.589255651,0.42815235,0.60069838,0.340206909,5.276020882,3.2876937,3.023395961,1.95700308,1.491624578,0.638071187,0,0,0.753717269,0.469670529,0.335932885,0.217444787,0.149162458,0.127614237,0,0,4.977162391,2.94260164,2.334667468,1.444334813,1.002073095,0.438832194,0,0,0.711023199,0.420371663,0.259407496,0.160481646,0.10020731,0.087766439,0,0,9.965765927,18.6576839,17.70196078,17.96,11.27156647,146.3240515,0.524513996,0.981983363,0.931682147,0.945263158,0.59324034,7.701265868,1.5738,29.243,22.47266809,30.16393587,44.94533619,6.420762312,22.47266809,3.33E-16,4.76E-17,-24.9467318,2000014.736,285716.3909,10.15606557,42,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.144444444,0,0,0,0,0,0,0,0,0,0,0,4.256944444,0,2.502314815,0,0,0,1.046296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,2.128472222,0,1.251157407,0,0,0,0.523148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.128472222,0,1.251157407,0,0,0,0.523148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.16666667,1.880952381,0.45,5.361111111,0.055555556,0.523148148,3.489791667,0.810185185,1.861111111,4.236111111,0.810185185,1.861111111,4.236111111,3.33333,0.47619,0,0.02381,0.48772,0.80952,0.43333,0.48772,0.80952,0.05439,0,-0.05439,0,0.58823,0.12606,0,0.3,0.3,0,4,0.57143,4,0.57143,0,0,-4,-0.57143,0,0,5.93931,0.84847,6.88311,0.94379,0.13483,2.82891,0.40413,3.28768,0.45877,0.06554,0.12632,0.01805,0.21232,0.03033,0.263157895,7.01,1,1,1,1,0,0,1,1.167436723,1.667951197,2.589518303,2.589518303,2.589518303,2.589518303,22.18129774,31.69107275,49.20084775,49.20084775,49.20084775,49.20084775,0.27482501,0.392650579,0.60959569,0.60959569,0.60959569,0.60959569,3.08049079,2.579976316,1.658409211,1.658409211,1.658409211,1.658409211,0.27482501,0.392650579,0.60959569,0.60959569,0.60959569,0.60959569,10.29981851,16.30599219,17.23477059,17.23477059,17.23477059,17.23477059,25.71846446,19.12111384,19.82418378,19.82418378,19.82418378,19.82418378,5.142857143,1.851851852,1.185185185,0,0,0,2.01,0.9041,0.25,1.632993162,2.309401077,0,1,2.828427125,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.438,0.434,0.384,0.231,3.027,9,9,10,5,0,0,0,0,0,47,2.079441542,2.302585093,2.302585093,2.397895273,1.791759469,0,0,0,0,0,3.871201011,1,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,2,0.285714286,0,2,4,1,2,0.666666667,0.569444444,0,0,0,0,0,0,0,0.285714286,0.074074074,0.142361111,0,0,0,0,0,0,0,0.502149471,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,9.23,108.7661345,3.807354922,3.496507561,4.234106505,5.043425117,5.802118375,6.610696045,7.378383713,8.182838711,8.955835144,9.75643661,73.46034778,2.708050201,0,3.931825633,2.397895273,5.303304908,4.59511985,6.736966958,6.502790046,8.206583614,8.621913502,100.088815,5.267832369,13.45353991,1.921934272,2.895226194,2.895226194,0,41,4,1.446,32,1.300399066,2.225407996,3.044846723,3.824372358,4.696114892,5.803955961,0,0,0,0,103.6726187,122.0813155,72.71600884,46.388959,19.77713826,5.89719071,0,0,0,0,311.0625163,380.9654357,357.1324375,343.7274965,259.1508679,180.4086838,0,0,0,0,9.975395726,16.98947744,23.16057198,26.62067337,32.09073261,38.99366918,0,0,0,0,2.177509116,2.789659956,2.976034154,3.387949482,2.992983066,2.580513719,0,0,0,0,188.3629317,348.3251714,506.04941,634.3973699,825.3773988,1073.253909,0,0,0,0,3.029991016,5.018672379,6.068600982,5.485947432,6.049063454,5.803955961,0,0,0,0,0.489322588,0.658187753,0.69809504,0.735675832,0.667047887,0.59432509,0,0,0,0,280.783345,140.7105532,9.021543641,71.60334339,-35.88299034,-11.99006577,209.1800016,176.5935435,21.01160941,0.79680463,0.399307232,0.025601261,0.20319537,-0.10182845,-0.034025308,98.94431309,49.58452585,3.179071888,25.23206505,-12.64468814,-4.225139571,0.119104607,0.747787608,2.002476775,20.78503466,324.5913165,27.7953719,0.921122526,0.078877474,453.7860053,21.30225353,7.684525087,570.0304383,23.87531022,8.291491926,722.9486687,26.88770479,8.975028178,1.965110831,1.965110831,345.9714592,276.936409,117.8768084,1.249281236,2.935025676,2.349371456,3.753201729,3.936375694,6.584169745,0.672647698,3.346839453,3.683794748,12.5383984,3.582823339,11.83447115,11.18824513,6.503618357,6.148209454,4.430612216,4.490982608,0.997637084,1.32979071,3.09E-08,3.75E-37,8.76E-88,3.95E-160,3.43E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,0.280907108,2.895591883,1.755968481,2.421550191,3.446168864,3.202525369,1.247883997,0.32674352,1.074191,0.176602372,0.082582117,0.009365825,2.18E-10,2.64E-39,6.17E-90,2.78E-162,2.42E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0.906729253,2.626348219,3.349888669,2.123665764,3.645544514,4.223643842,1.819718661,1.179458993,1.392865087,0.702073858,0.267338065,0.097599114,2.27E-09,2.75E-38,6.43E-89,2.90E-161,2.52E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,3.159145278,3.756421697,12.02299032,3.702021838,12.22404576,10.60541959,6.293014341,5.67310999,4.095499105,4.101206477,0.940901244,1.184819582,2.76E-08,3.34E-37,7.80E-88,3.52E-160,3.06E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336336539,2.583304456,4.556816301,2.085703944,4.086292055,5.074616518,2.28789935,1.864459063,1.720429381,1.168255487,0.394768875,0.211998318,4.93E-09,5.97E-38,1.40E-88,6.29E-161,5.47E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,4.04178653,4.243875004,15.99319094,4.328985174,15.57608744,14.07183101,8.626596291,8.042079178,5.818576499,6.076817569,1.208518269,1.939374775,4.51E-08,5.47E-37,1.28E-87,5.76E-160,5.00E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,2.220617636,3.528014649,7.721841495,3.369088579,10.58541137,7.477568019,4.411650489,3.248519496,3.142151779,2.456650084,0.762964672,0.512309382,1.19E-08,1.44E-37,3.37E-88,1.52E-160,1.32E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,3.773636564,1.251892046,0.663820119,0.663280938,0.220041363,0.525752167,0.475289924,0.404556633,5.68934873,8.060232602,16.88559078,0.494921408,1.405598724,2.523039122,0.97977637,0.255259234,0.671364809,0.260712317,0.237316998,0.323270403,0.059758493,3.758074726,3.366140113,7.755219268,0.507047214,0.620345894,3.143240538,1.013147357,0.417725435,0.687180293,0.221495902,0.365944291,0.320133613,0.165446136,4.574113331,4.920794787,10.82518227,0.530770439,0.85152404,3.677621382,1.256654869,0.650659342,0.658489489,0.225007943,0.499475922,0.484328407,0.391883227,5.584935594,7.832033757,16.42399203,0.487734233,1.375687556,3.407838992,1.057276575,0.490129323,0.687723628,0.213365151,0.429538548,0.340505715,0.224237868,4.95524489,5.791512407,12.51270714,0.531585442,0.994282132,3.834304242,1.28783351,0.694761327,0.659166369,0.221395196,0.542656213,0.5029467,0.442168689,5.816899078,8.496608709,17.74420135,0.488749553,1.487771603,3.734987163,1.249847139,0.653435134,0.662435026,0.22167212,0.51505807,0.476289334,0.393346196,5.638269436,7.92542889,16.61404005,0.49365254,1.3846936 +UMLS0174,L,"2,5-dimethyltetrahydrofuran",CC1CCC(O1)C,13855, (cis & trans) reported,UML,[1],C6H12O,PubChem,,12,0,-0.0275,7.56E-04,33.2966,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1323.6122,1609.182801,1380.259615,767.897931,326.041801,74.760336,6.096384,0,3823.307636,4994.447843,6928.73748,6882.571331,4875.37762,2661.102781,1008.855504,186.5024666,0,154.382624,159.970976,299.553156,386.845756,342.04926,261.312868,129.646656,40.310784,0,28.53578067,37.90082034,56.49561099,60.26273018,46.21111016,27.93568575,11.79230222,2.667677429,0,3603.201977,3158.070517,6448.554114,8841.549765,8059.922349,6555.411125,3354.459867,1109.505912,0,36.02777778,44.33333333,71.66666667,84.66666667,72.33333333,49.5,22.5,6,0,53.10626655,60.16419091,38.31387621,25.09562936,15.67138635,8.580047395,3.934754526,1.016064,0,173.7867107,227.0203565,164.96994,125.1376606,99.49750244,70.02902055,53.0976581,31.08374443,0,7.017392,7.271408,7.132218,7.0335592,6.980597143,6.876654421,6.823508211,6.718464,0,1.297080939,1.722764561,1.345133595,1.095686003,0.943083881,0.735149625,0.620647485,0.444612905,0,163.781908,143.5486599,153.5370027,160.7554503,164.4882112,172.5108191,176.5505193,184.917652,0,1.637626263,2.015151515,1.706349206,1.539393939,1.476190476,1.302631579,1.184210526,1,0,0.038547532,0.002747074,-0.014198961,-0.011916774,-0.009869024,0.004615896,0.005018999,0.004329024,0,616.3360458,5.47E-13,-131.0714643,-165.0900123,-261.142383,69.0376415,84.04582443,96.05237078,0,1146.103196,1.28E-13,-243.7329848,-306.9919274,-485.6054125,128.3784424,156.2867994,178.613485,0,0.120736,1.75E-15,-0.025676,-0.03234,-0.051156,0.013524,0.016464,0.018816,0,5.123614541,1.10E-14,-1.089599846,-1.372396752,-2.170882135,0.573911369,0.69867471,0.798485383,0,27.8315555,-2.75E-14,-5.918723654,-7.454880939,-11.79226621,3.117495665,3.795212114,4.337385273,0,2.481060606,0.08459596,-0.534550046,-0.434974747,-0.924988522,0.012511478,0.225952709,0.330922865,0,0.001752161,1.25E-04,-3.38E-04,-2.17E-04,-2.01E-04,1.21E-04,2.64E-04,7.22E-04,0,28.01527481,2.49E-14,-3.12074915,-3.001636587,-5.329436389,1.816780039,4.423464444,16.00872846,0,52.0955998,5.81E-15,-5.803166305,-5.581671408,-9.91031454,3.378380062,8.225621022,29.76891417,0,0.005488,7.96E-17,-6.11E-04,-5.88E-04,-0.001044,3.56E-04,8.67E-04,0.003136,0,0.23289157,5.02E-16,-0.025942853,-0.024952668,-0.044303717,0.015102931,0.036772353,0.133080897,0,1.265070705,-1.25E-15,-0.140921992,-0.13554329,-0.240658494,0.08203936,0.199748006,0.722897546,0,0.112775482,0.003845271,-0.012727382,-0.007908632,-0.018877317,3.29E-04,0.011892248,0.055153811,0,0.07126459,-0.192944938,-0.12365797,-0.114948745,0.069326382,0.150761218,0.411779602,0,8.88E-16,-0.111394558,-0.107142857,-0.190233236,0.064849624,0.157894737,0.571428571,0,1.12E-16,-0.111394558,-0.107142857,-0.190233236,0.064849624,0.157894737,0.571428571,0,1.45E-14,-0.111394558,-0.107142857,-0.190233236,0.064849624,0.157894737,0.571428571,0,2.16E-15,-0.111394558,-0.107142857,-0.190233236,0.064849624,0.157894737,0.571428571,0,-9.89E-16,-0.111394558,-0.107142857,-0.190233236,0.064849624,0.157894737,0.571428571,0,0.034096692,-0.112855931,-0.070127226,-0.167388482,0.002919513,0.10545065,0.489058524,0,1.173642243,1.34994465,1.143465434,1.022038365,0.708186201,0.452630989,1.09E-04,0,1.3125,1.227678571,1.0875,1.094387755,0.705592105,0.542763158,0,0,1.3125,1.227678571,1.0875,1.094387755,0.705592105,0.542763158,0,0,1.3125,1.227678571,1.0875,1.094387755,0.705592105,0.542763158,0,0,1.3125,1.227678571,1.0875,1.094387755,0.705592105,0.542763158,0,0,1.3125,1.227678571,1.0875,1.094387755,0.705592105,0.542763158,0,0,1.282442748,1.097201018,0.972519084,1.177971647,0.890960225,0.612535155,0,0,29.69181935,14.84590967,22.02882074,29.69181935,3.711477418,14.84591115,3.55E-15,0.040659705,0.005082463,-2.562014181,61.4840671,7.685508388,3.295022456,29.69181935,14.84590967,22.02882074,29.69181935,3.711477418,14.84591115,3.55E-15,0.040659705,0.005082463,-2.562014181,61.4840671,7.685508388,3.295022456,29.69181935,14.84590967,22.02882074,29.69181935,3.711477418,14.84591115,3.55E-15,0.040659705,0.005082463,-2.562014181,61.4840671,7.685508388,3.295022456,29.69181935,14.84590967,22.02882074,29.69181935,3.711477418,14.84591115,3.55E-15,0.040659705,0.005082463,-2.562014181,61.4840671,7.685508388,3.295022456,29.69181935,14.84590967,22.02882074,29.69181935,3.711477418,14.84591115,3.55E-15,0.040659705,0.005082463,-2.562014181,61.4840671,7.685508388,3.295022456,29.69181935,14.84590967,22.02882074,29.69181935,3.711477418,14.84591115,3.55E-15,0.040659705,0.005082463,-2.562014181,61.4840671,7.685508388,3.295022456,31.29235716,15.58645636,23.41825101,31.20277383,3.900346729,15.58645705,-0.119444444,0.169865919,0.02123324,-1.418196692,34.76389807,4.345487258,2.838863549,0,11.9,12.10012615,-0.1409401,0.059943167,5.658433337,8.483505877,8,22,21,21,7,1,1,0,0,1,15.304898,3.671678409,3.109625573,2.750129472,2.463791668,1.642693285,1.456797487,1.166784528,0.332824592,1.986153629,1.59809941,1.372874417,1.195321542,0.666206401,0.664503245,0.523704877,0.083923071,3.69148223,3.1411763,2.792995694,2.517056039,1.721620909,1.556142907,1.285277931,0.463196286,1.937410952,1.524632661,1.285229005,1.097787554,0.535819138,0.522081792,0.36958988,0.270913902,3.780970353,3.282768567,2.981537655,2.746561768,2.053959605,1.9628467,1.754887098,0.957943356,1.799308701,1.311537586,1.018928274,0.791035888,0.116737221,0.037619229,0.161120783,0.943918427,3.706200293,3.164581799,2.824624264,2.556126783,1.779135011,1.62787375,1.369844186,0.555051372,1.906832416,1.478048475,1.228596505,1.033937955,0.450467634,0.425347018,0.265266737,0.399277246,3.825983167,3.353206229,3.072480534,2.854110543,2.204855193,2.141548494,1.954599921,1.207644823,1.757922119,1.246480118,0.933903671,0.689387768,0.027536505,0.135164289,0.356219287,1.155503275,3.733569233,3.253980176,2.816725818,2.647041584,1.923751184,1.715918915,1.495605646,0.7114755,1.89144528,1.34889324,1.196931573,0.921800525,0.297738476,0.283224723,0.104869681,0.607594937,0,0,0,1,1,1,5,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.088388348,0.051031036,0.204124145,0,0,0,0.144337567,0,0,0,0.49279928,0.594861352,0.49279928,0.348461713,0.420630496,0.348461713,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,5.612884175,3.573132185,2.507583597,1.904030206,1.294575975,0.878791798,0.24639964,0.102062073,0.701610522,0.446641523,0.2786204,0.190403021,0.129457598,0.08787918,0.06159991,0.051031036,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.82299,36.572,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,5,3,0,1,0,0,0,0,0,0,0,0,1,0,5,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.954027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,1.292986111,0.870833333,0,0.290694444,0,0,0,0,0,0,0,0,2.153425926,0,7.059212963,0,2.276944444,0,0,0,0,1.677083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.677083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,0.225625,0.290277778,0,0.290694444,0,0,0,0,0,0,0,0,2.153425926,0,1.371527778,0,2.276944444,0,0,0,0,1.677083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.276944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,0.290277778,0.290277778,0,0.290694444,0,0,0,0,0,0,0,0,2.153425926,0,1.455694444,0,2.276944444,0,0,0,0,1.677083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.16666667,1.645833333,0.290694444,2.276944444,0.026041667,1.371527778,4.733896343,0.128472222,0.276944444,0.881574074,0.128472222,0.276944444,0.881574074,4,0.5,0,0,0.44545,0.7,0.43333,0.43333,0.7,0.01212,0.01212,0,0,0.71429,0,0,0.125,0.125,0,5,0.625,4,0.5,1,0.125,-3,-0.375,0,0,6.97866,0.87233,8.02289,1.04423,0.13053,3.35606,0.41951,3.93185,0.57578,0.07197,-0.01785,-0.00223,0.06815,0.00852,0.272727273,8,0,0,0,0,0,0,0.75,0.945660305,1.965767808,2.99285605,3.243300369,3.243300369,3.095795255,20.8045267,43.24689177,65.8428331,71.35260811,71.35260811,68.10749561,0.212058483,0.440811291,0.671129486,0.727290078,0.727290078,0.694212967,3.513771314,2.493663811,1.466575568,1.21613125,1.21613125,1.363636364,0.209052139,0.434561929,0.661614913,0.716979319,0.716979319,0.684371141,6.786633838,16.43114617,18.84273529,19.09513934,19.09513934,18.94648,31.28312609,20.5112056,18.64729656,17.99764857,17.99764857,18.40770549,6.125,3.111111111,1.8,2,2,2,2.34,1.0842,0,2.00414513,0.5,0,7.732315986,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.076,0.353,0.392,4.039,9,10,10,10,4,2,0,0,0,61,2.302585093,2.564949357,2.708050201,2.708050201,2.708050201,2.197224577,1.609437912,0,0,0,4.430816799,1.360655738,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,0,131.9314183,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,110.1095504,5.004979566,15.69266546,1.961583183,0,0,0,64,7,3.529,34,1.241813552,2.159135962,2.95817157,3.749208208,4.46578376,5.280433762,6.08871752,0,0,0,87.040756,93.52335437,80.54269302,64.3205038,41.92959031,21.59659246,6.186526678,0,0,0,310.7210092,385.7485285,391.1527535,389.7836306,328.9139489,286.5587669,189.2601393,0,0,0,9.069181028,15.46122817,20.86596445,26.21310122,30.7699512,36.06057283,40.90682946,0,0,0,2.29563514,3.080800416,3.3782736,3.640625472,3.399625289,3.326707197,2.707122383,0,0,0,175.8046898,327.1395012,471.0878907,613.6735024,765.7113145,929.9143665,1125.911348,0,0,0,2.590701915,3.803836427,4.668104811,5.630902906,5.936406627,6.314945001,6.08871752,0,0,0,0.473749989,0.645446817,0.718101116,0.784017771,0.74521841,0.742089305,0.623484674,0,0,0,326.4771884,138.0439476,10.06128955,62.77150831,-26.54159957,-3.731698613,263.70568,164.5855471,13.79298816,0.838736754,0.354642029,0.025847972,0.161263246,-0.06818674,-0.009586926,127.0808201,53.73342667,3.916343843,24.4337278,-10.33128304,-1.452558822,0.134536896,0.207794995,4.43458525,3.554970565,389.2486967,0,1,0,515.6525243,22.70798371,8.018978506,655.7117252,25.60686871,8.687690016,848.5387075,29.12968773,9.467250882,1.437051847,1.348989838,431.637115,343.4737691,138.263975,1.256681452,3.121833544,2.484188446,3.952097372,3.906076091,6.890195592,0.763968605,5.657243339,6.757819745,2.327568871,23.32675641,8.660591944,14.86259234,9.068988479,3.819748979,4.925695913,3.89000794,1.98922606,0.683274717,0.29948271,7.08E-17,3.23E-54,2.84E-113,4.83E-194,1.58E-296,0,0,0,0,0,0,0,0,0,0,0,0,0.474777618,6.750431466,0.192560174,8.796674048,3.062630625,2.251664801,1.84081964,0.272100513,0.760150098,0.085769967,0.123557816,0.00481236,0.002109281,4.99E-19,2.28E-56,2.00E-115,3.40E-196,1.11E-298,0,0,0,0,0,0,0,0,0,0,0,0,1.532629358,6.750925303,0.623437261,9.904361299,3.674526213,4.588891637,2.921757114,0.910260402,1.230575061,0.435474332,0.42744674,0.050148499,0.021980337,5.20E-18,2.37E-55,2.09E-114,3.54E-195,1.16E-297,0,0,0,0,0,0,0,0,0,0,0,0,5.339976502,6.757008625,2.195123325,21.77986121,8.130120747,14.00674159,8.486929124,3.572143787,4.536305219,3.506119836,1.847794578,0.608785472,0.266833703,6.31E-17,2.88E-54,2.53E-113,4.30E-194,1.41E-296,0,0,0,0,0,0,0,0,0,0,0,0,2.258811414,6.751565464,0.920682823,11.21649558,4.252169258,6.263674703,3.780917828,1.373869607,1.666292897,0.802267616,0.658900179,0.108929241,0.047744228,1.13E-17,5.15E-55,4.53E-114,7.69E-195,2.52E-297,0,0,0,0,0,0,0,0,0,0,0,0,6.831939637,6.761230363,2.819932846,29.80061184,10.8378845,18.12659244,11.38254769,4.771059971,6.520011608,5.482816716,2.543785592,0.996491959,0.436767386,1.03E-16,4.71E-54,4.15E-113,7.04E-194,2.30E-296,0,0,0,0,0,0,0,0,0,0,0,0,3.445740404,6.480028538,1.390594274,14.08837914,5.180990472,8.9412859,5.340272811,2.498379725,2.646055843,1.682877485,1.128403134,0.252245626,0.110560513,2.62E-17,1.19E-54,1.05E-113,1.78E-194,5.83E-297,0,0,0,0,0,0,0,0,0,0,0,0,3.865045044,1.653681058,0.62624482,0.628976946,0.269111291,0.489980701,0.498594567,0.363697382,6.144970922,9.84762541,19.99527252,0.443465419,1.35227265,2.891795567,1.03275585,0.228085783,0.696375683,0.248698791,0.276088548,0.195743309,0.048164463,4.1526372,3.881653171,8.715472847,0.544563525,0.51999632,3.2606143,1.270660844,0.380038146,0.663898658,0.258721195,0.349610756,0.29586714,0.133887064,4.911313291,5.865192325,12.35105493,0.495847986,0.77936496,3.839100994,1.637384318,0.615736804,0.630164318,0.268766353,0.483443453,0.488940449,0.351600021,6.092222116,9.658157328,19.62095257,0.445246477,1.323983924,3.432352222,1.38026033,0.450312882,0.652175727,0.262261046,0.386968209,0.348689762,0.18803509,5.262925434,6.90472104,14.30102159,0.478263591,0.923693061,3.946916044,1.705034684,0.659373629,0.625370496,0.270154818,0.510913108,0.529608664,0.403168892,6.311324357,10.45637601,21.2050401,0.438055744,1.443690665,3.852667179,1.637258858,0.616728611,0.630896522,0.268110603,0.486836271,0.488949294,0.352721262,6.106654647,9.693607923,19.69047161,0.446344783,1.328506827 +UMLS0175,L,ethylidenecyclohexane,CC=C1CCCCC1,13856,,UML,[1],C8H14,PubChem,,12.4,0,1.1929,1.42301041,39.1741,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1604.188161,1752.521409,1044.414507,281.939616,27.433728,0,0,3947.642614,5029.877407,7031.587075,8501.677705,7710.420624,4023.534994,839.2610996,0,0,181.25648,180.900988,339.464772,445.031748,565.821804,551.380608,181.398528,0,0,30.31423229,39.56609758,58.49435701,73.19072745,75.15521403,48.05441059,12.00454843,0,0,4342.872585,3643.766351,7589.85513,9982.078659,13277.79492,14406.01794,4992.776605,0,0,42.3125,50.125,75,102.75,129,99,27,0,0,45.09238923,49.11105724,33.42058669,27.81780014,12.89400626,3.480736,1.016064,0,0,151.8324082,201.1950963,146.4913974,134.9472652,95.19037807,49.67327153,31.08374443,0,0,6.971403077,7.23603952,7.07218275,7.063996,6.98545437,6.807168,6.718464,0,0,1.165932011,1.582643903,1.218632438,1.161757579,0.927842148,0.593264328,0.444612905,0,0,167.033561,145.7506541,158.1219819,158.445693,163.9233941,177.8520733,184.917652,0,0,1.627403846,2.005,1.5625,1.630952381,1.592592593,1.222222222,1,0,0,0.03558516,-0.008990482,0.003171158,-9.81E-04,-0.035222836,0.009954808,0.014275935,0,0,670.5194345,-58.02572029,75.2185263,-199.8663699,-719.9487517,257.8920902,309.4705082,0,0,1246.859521,-107.9013047,139.8720616,-371.6600494,-1338.775447,479.5613541,575.4736249,0,0,0.131350154,-0.01136684,0.014734793,-0.03915245,-0.141033018,0.05051929,0.060623148,0,0,5.574042193,-0.482369036,0.625293195,-1.661493346,-5.98494915,2.143862382,2.572634858,0,0,30.27828566,-2.620236259,3.396602558,-9.025258225,-32.51033877,11.64549448,13.97459338,0,0,3.540865385,-1.73881287,0.039940828,1.617326183,-2.99029216,-0.019138314,1.320543639,0,0,0.00136866,-3.60E-04,6.61E-05,-1.56E-05,-4.35E-04,1.23E-04,5.29E-04,0,0,25.78920902,-2.321028812,1.567052631,-3.172482062,-8.888256194,3.183852965,11.46187067,0,0,47.95613541,-4.316052187,2.914001283,-5.899365864,-16.52809194,5.920510544,21.31383796,0,0,0.005051929,-4.55E-04,3.07E-04,-6.21E-04,-0.001741148,6.24E-04,0.002245302,0,0,0.214386238,-0.019294761,0.013026942,-0.02637291,-0.073888261,0.026467437,0.095282773,0,0,1.164549448,-0.10480945,0.070762553,-0.143258067,-0.401362207,0.143771537,0.517577533,0,0,0.13618713,-0.069552515,8.32E-04,0.025671844,-0.036917187,-2.36E-04,0.048909024,0,0,-0.262752838,0.048270416,-0.011379027,-0.317719394,0.089795032,0.38631826,0,0,-0.09,0.060763889,-0.123015873,-0.344650206,0.12345679,0.444444444,0,0,-0.09,0.060763889,-0.123015873,-0.344650206,0.12345679,0.444444444,0,0,-0.09,0.060763889,-0.123015873,-0.344650206,0.12345679,0.444444444,0,0,-0.09,0.060763889,-0.123015873,-0.344650206,0.12345679,0.444444444,0,0,-0.09,0.060763889,-0.123015873,-0.344650206,0.12345679,0.444444444,0,0,-0.510712831,0.00610998,0.188504186,-0.271076915,-0.001734932,0.359131025,0,0,1.80070438,0.973546379,1.088780512,1.429110431,0.603716632,0,0,0,1.625,1.128472222,1.28968254,1.33744856,0.50154321,0,0,0,1.625,1.128472222,1.28968254,1.33744856,0.50154321,0,0,0,1.625,1.128472222,1.28968254,1.33744856,0.50154321,0,0,0,1.625,1.128472222,1.28968254,1.33744856,0.50154321,0,0,0,1.625,1.128472222,1.28968254,1.33744856,0.50154321,0,0,0,2.118126273,0.827393075,0.74596709,1.503608157,0.784491212,0,0,0,33.34098699,16.6704935,21.90656147,33.34098699,4.167623374,16.67049366,1.07E-14,6.94E-17,8.67E-18,-29.76544336,4000015.273,500001.9091,12.16144699,33.34098699,16.6704935,21.90656147,33.34098699,4.167623374,16.67049366,1.07E-14,6.94E-17,8.67E-18,-29.76544336,4000015.273,500001.9091,12.16144699,33.34098699,16.6704935,21.90656147,33.34098699,4.167623374,16.67049366,1.07E-14,6.94E-17,8.67E-18,-29.76544336,4000015.273,500001.9091,12.16144699,33.34098699,16.6704935,21.90656147,33.34098699,4.167623374,16.67049366,1.07E-14,6.94E-17,8.67E-18,-29.76544336,4000015.273,500001.9091,12.16144699,33.34098699,16.6704935,21.90656147,33.34098699,4.167623374,16.67049366,1.07E-14,6.94E-17,8.67E-18,-29.76544336,4000015.273,500001.9091,12.16144699,33.34098699,16.6704935,21.90656147,33.34098699,4.167623374,16.67049366,1.07E-14,6.94E-17,8.67E-18,-29.76544336,4000015.273,500001.9091,12.16144699,44.47210779,22.1110539,29.51086275,44.28460779,5.535575974,22.1110539,-0.25,4.44E-16,5.55E-17,-28.28040497,4000009.639,500001.2048,12.16144586,0,11.89,12.11011416,-0.167867879,0.052715655,5.749123776,9.528252778,7,25,25,25,7,0,0,0,0,0,19.677726,3.608099227,2.902564078,2.902564078,2.555281727,1.927669322,1.598026915,1.598026915,0.422956044,1.959622624,1.563026335,1.563026335,1.360288238,0.942326247,0.769718516,0.769718516,0.083923071,3.630582356,2.950308951,2.950308951,2.615756361,2.008401684,1.695309721,1.695309721,0.536187631,1.90589265,1.473453684,1.473453684,1.255317559,0.816976117,0.630337185,0.630337185,0.270913902,3.731599331,3.155598408,3.155598408,2.872138949,2.342549921,2.090117344,2.090117344,0.96371556,1.752181216,1.195492746,1.195492746,0.921177253,0.404890011,0.162386152,0.162386152,0.943918427,3.647262125,2.985267979,2.985267979,2.659856589,2.066840327,1.765276817,1.765276817,0.615751511,1.872049855,1.415133181,1.415133181,1.186285557,0.733543403,0.536857124,0.536857124,0.399277246,3.782046607,3.252217518,3.252217518,2.9904353,2.492084986,2.26277616,2.26277616,1.207644823,1.705673677,1.104407163,1.104407163,0.808823153,0.26130949,0.004703131,0.004703131,1.134173896,3.601791505,3.077859519,3.077859519,2.808097698,2.169004015,1.851311764,1.851311764,0.633365324,1.903267414,1.310195417,1.310195417,1.02915745,0.607106405,0.418975866,0.418975866,0.581818182,0,0,0,0,0,4,3,0,1,0,0,0,0,0,0,0,0,0,0,0.926776695,0.176776695,0,0,0.926776695,0.176776695,0,0,2.030330086,1.810660172,0,2.030330086,1.810660172,0,6.621320344,3.681980515,2.871320344,2.560660172,0.75,0,0,0,0.827665043,0.525997216,0.319035594,0.284517797,0.25,0,0,0,6.621320344,3.681980515,2.871320344,2.560660172,0.75,0,0,0,0.827665043,0.525997216,0.319035594,0.284517797,0.25,0,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,16.6704935,21.90656147,33.34098699,4.167623374,16.67049366,6.94E-17,8.67E-18,-29.76544336,4000015.273,500001.9091,12.16144699,41,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,9.166666667,0,3.958333333,0,0,0,0,0,0,0,0,0,0.625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.270833333,0,1.319444444,0,0,0,0,0,0,0,0,0,0.625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.354166667,0,1.319444444,0,0,0,0,0,0,0,0,0,0.625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.75,1.71875,0.2,2.354166667,0,0.625,6.021041667,0.625,0.354166667,2.333333333,0.625,0.354166667,2.333333333,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0,0.125,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.40685,1.17586,9.40685,0,0,3.68198,0.46025,3.68198,0,0,0.23202,0.029,0.23202,0.029,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.083551256,2.457987313,2.27720117,1.736936887,23.15278265,34.39789514,54.17233265,63.90767015,59.20723043,45.16035906,0.189448582,0.281462171,0.443267307,0.522927101,0.484465562,0.369526468,3.809948078,3.377443751,2.616888462,2.242452405,2.423238548,2.963502831,0.191756937,0.284891675,0.448668342,0.529298758,0.490368581,0.374029,6.648700044,11.83875197,13.97721418,14.35458021,12.18514649,5.701975091,31.72521615,24.13720728,24.21779674,23.8863455,22.80162864,15.24630525,8,3.111111111,2.222222222,8,0,5,2.34,1.2358,1.732050808,5.82590126,0,2.37841423,1.5,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,3.354,9,9,3,0,0,0,0,0,0,36,2.079441542,2.302585093,2.302585093,1.386294361,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,2,4,1,3,1.333333333,0.375,0,0,0,0,0,0,0,0.428571429,0.148148148,0.041666667,0,0,0,0,0,0,0,0.618386243,16.6704935,21.90656147,33.34098699,4.167623374,16.67049366,6.94E-17,8.67E-18,-29.76544336,4000015.273,500001.9091,12.16144699,0,146.9243357,4,3.496507561,4.234106505,5.030437921,5.789960171,6.591673732,7.35436233,8.157370441,8.920656297,9.723942139,74.2990171,2.708050201,0,3.931825633,0,5.416100402,0,6.965080346,0,8.528133131,8.765458532,114.1408506,4.390032714,14.43014069,1.803767586,0,0,0,64,9,4.868,32,1.2278,2.116401194,2.915846991,3.513449383,3.953236004,4.545788315,0,0,0,0,71.2221278,80.92015264,87.60651113,48.19424766,14.58564355,4.618811858,0,0,0,0,272.5498825,339.0696678,412.595636,343.8714492,202.5962055,141.3001222,0,0,0,0,8.919363223,15.03311663,20.64310879,24.56910019,26.94005053,30.54071514,0,0,0,0,2.081648384,2.75612872,3.505856552,3.321001339,2.395100522,2.021116147,0,0,0,0,176.77647,329.9402209,458.6923803,573.9932241,700.7248022,840.5965017,0,0,0,0,2.512415,3.428421659,4.858271113,5.64279001,4.906159986,4.545788315,0,0,0,0,0.4321989,0.579781655,0.742890154,0.718303164,0.535933707,0.465488723,0,0,0,0,361.0318278,158.2010919,8.736960079,141.1100991,-61.83325138,-8.397553722,219.9217287,220.0343433,17.1345138,0.718983635,0.315052545,0.017399384,0.281016365,-0.123138993,-0.016723467,181.2892176,79.43940114,4.387193969,70.85729706,-31.04906799,-4.216763807,0.061130948,0.14784157,1.180594378,7.057816512,502.1419268,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,805.8332953,28.38720302,9.30568618,1.312269645,1.080871463,383.9820277,306.3468434,198.1374314,1.253422504,1.937958037,1.546133112,3.965650948,3.220194404,6.42424645,0.994987148,5.221382682,6.639752593,3.064874618,31.54069578,8.80390472,14.07001805,15.55651927,15.52141369,5.270165988,4.564169252,0.162548497,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422728311,6.639331751,0.180571034,10.67634928,2.072399448,1.442564053,0.850249175,0.669577445,0.966408609,0.069215674,0.001145911,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.374809609,6.639367635,0.633407336,13.55649255,2.585867638,2.806919854,2.846257295,2.578597311,1.255549687,0.430223831,0.011932885,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.917909961,6.639709135,2.840218615,29.77565187,8.08736367,12.86779261,14.30037373,14.2150716,4.798201402,4.092117426,0.14482852,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.036527027,6.639407121,0.984620214,15.94298954,3.193870147,4.103724634,4.515113506,4.222389876,1.629025461,0.843283268,0.025917192,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.356022077,6.639933591,3.951267048,38.62965516,11.80260601,19.00862137,20.61148841,20.80911417,7.254365017,6.535500318,0.237058222,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.183672188,5.498497917,1.410419916,19.01306742,4.794527234,6.547651372,7.565377142,6.885416512,2.737654164,1.708251179,0.055029386,0.381405489,2.72E-15,3.73E-51,9.89E-109,5.06E-188,4.98E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,2.860570112,1.733886857,0.999561055,0.511362334,0.309953749,0.426953056,0.41364766,0.437699936,5.594018025,9.552345178,20.104091,0.267043501,1.278300651,2.15605128,1.211906575,0.529352653,0.553215166,0.310959718,0.242617668,0.201969013,0.122642589,3.897310508,4.395770147,9.676243523,0.329822749,0.56722927,2.446424248,1.427010944,0.723189834,0.532221844,0.310447543,0.312326003,0.280073635,0.229002471,4.596625026,6.292303129,13.41363751,0.298332766,0.82140211,2.844156017,1.721722532,0.988609336,0.512046488,0.309969626,0.422069764,0.407856402,0.428153261,5.554487885,9.410717662,19.8062747,0.268069733,1.258079427,2.571253371,1.519497676,0.806502478,0.525039873,0.310275478,0.344994092,0.317586193,0.284851617,4.897253525,7.206214377,15.25448399,0.28755981,0.947431901,2.911642669,1.771737099,1.033636453,0.509294107,0.309905907,0.442327061,0.431930081,0.46807766,5.717016221,9.999577388,21.04877815,0.26394116,1.342334802,2.853496663,1.723790822,0.990330969,0.512516561,0.309610085,0.424835996,0.4088159,0.429643904,5.567618454,9.451860906,19.89075038,0.268774842,1.2632958 +UMLS0176,L,3-Methyl-3-ethylpentane,CCC(C)(CC)CC,14018,,"Sandia, UML",[1],C8H18,PubChem,,-7.9,0,0.8578,0.73582084,44.0225,29.17586,0,0,29,9,20,0,9,0,0,0,0,0,0,0,0,0,1318.698369,1396.254728,1797.896698,2191.410156,1616.395542,509.011776,54.867456,0,0,4433.327004,5682.867541,7945.134187,9958.730877,10171.30826,6368.547788,1678.522199,0,0,202.233924,202.676768,382.19428,507.96408,633.544152,739.96416,362.797056,0,0,33.9923581,44.5820862,66.18204716,84.22510488,94.21676832,72.09972431,24.00909686,0,0,4839.502245,4076.805803,8514.057329,11471.96764,14386.14265,18826.48266,9985.553209,0,0,46.5625,55.5,83.5,111,150,144,54,0,0,45.47235755,49.86624029,33.2943833,30.43625217,17.95995047,4.713072,1.016064,0,0,152.873345,202.9595551,147.1321146,138.3157066,113.0145362,58.96803508,31.08374443,0,0,6.973583586,7.238456,7.077671852,7.055056667,7.039379467,6.85152,6.718464,0,0,1.172150279,1.592217364,1.225593466,1.169793123,1.046852981,0.66759004,0.444612905,0,0,166.8793878,145.6002072,157.6677283,159.3328839,159.8460294,174.3192839,184.917652,0,0,1.605603448,1.982142857,1.546296296,1.541666667,1.666666667,1.333333333,1,0,0,0.039883493,-0.009553413,-0.002033221,0.013194177,-0.040843689,-0.009257736,0.028552137,0,0,751.4441938,-57.58193056,36.85243556,38.00407417,-929.3723592,-93.28272751,629.6584107,0,0,1397.342566,-107.0760587,68.52867757,70.67019875,-1728.207588,-173.4632151,1170.876702,0,0,0.147202759,-0.011279905,0.007219139,0.007444737,-0.182057665,-0.018273446,0.12334576,0,0,6.246771423,-0.478679803,0.306355074,0.31592867,-7.725892013,-0.77546128,5.234363641,0,0,33.93256151,-2.600196285,1.664125622,1.716129548,-41.96716803,-4.212317981,28.43314637,0,0,3.715517241,-1.587395957,-0.810790725,2.23216409,-1.457639715,-2.742271106,2.508174792,0,0,0.001375293,-3.41E-04,-3.77E-05,1.83E-04,-4.54E-04,-8.57E-05,5.29E-04,0,0,25.91186875,-2.05649752,0.68245251,0.527834363,-10.32635955,-0.863728958,11.66034094,0,0,48.18422642,-3.824144954,1.269049585,0.981530538,-19.20230653,-1.606140881,21.68290189,0,0,0.005075957,-4.03E-04,1.34E-04,1.03E-04,-0.002022863,-1.69E-04,0.002284181,0,0,0.215405911,-0.017095707,0.005673242,0.004387898,-0.085843245,-0.007180197,0.09693266,0,0,1.170088328,-0.092864153,0.030817141,0.023835133,-0.466301867,-0.039002944,0.526539748,0,0,0.128121284,-0.056692713,-0.015014643,0.031002279,-0.016195997,-0.025391399,0.046447681,0,0,-0.248087773,-0.027377622,0.133246135,-0.329979736,-0.062328381,0.384458682,0,0,-0.079365079,0.026337449,0.02037037,-0.398518519,-0.033333333,0.45,0,0,-0.079365079,0.026337449,0.02037037,-0.398518519,-0.033333333,0.45,0,0,-0.079365079,0.026337449,0.02037037,-0.398518519,-0.033333333,0.45,0,0,-0.079365079,0.026337449,0.02037037,-0.398518519,-0.033333333,0.45,0,0,-0.079365079,0.026337449,0.02037037,-0.398518519,-0.033333333,0.45,0,0,-0.442492542,-0.117190857,0.241976025,-0.126411446,-0.198182521,0.362529002,0,0,1.784875369,1.054553482,0.874155264,1.538079911,0.904733617,0,0,0,1.611111111,1.169547325,1.127777778,1.503703704,0.751851852,0,0,0,1.611111111,1.169547325,1.127777778,1.503703704,0.751851852,0,0,0,1.611111111,1.169547325,1.127777778,1.503703704,0.751851852,0,0,0,1.611111111,1.169547325,1.127777778,1.503703704,0.751851852,0,0,0,1.611111111,1.169547325,1.127777778,1.503703704,0.751851852,0,0,0,2.052204176,0.959439718,0.510247486,1.381593194,1.255993813,0,0,0,40.78460969,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,-7.11E-15,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,40.78460969,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,-7.11E-15,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,40.78460969,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,-7.11E-15,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,40.78460969,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,-7.11E-15,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,40.78460969,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,-7.11E-15,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,40.78460969,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,-7.11E-15,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,53.61524149,26.67613926,33.85352069,53.41071474,5.93452386,26.67613926,-0.262962963,1.80E-16,2.00E-17,-32.62616348,4000024.211,444447.1345,13.68162987,0,11.89,12.11013444,-0.167750256,0.052870184,5.906707008,10.15700279,8,28,28,28,8,0,0,0,0,0,21.86414,3.637282007,2.902564078,2.902564078,2.902564078,2.14936441,1.598026915,1.598026915,1.598026915,1.974892075,1.563026335,1.563026335,1.563026335,1.048930994,0.769718516,0.769718516,0.769718516,3.658753114,2.950308951,2.950308951,2.950308951,2.217766728,1.695309721,1.695309721,1.695309721,1.922967344,1.473453684,1.473453684,1.473453684,0.933620224,0.630337185,0.630337185,0.630337185,3.755381836,3.155598408,3.155598408,3.155598408,2.507077934,2.090117344,2.090117344,2.090117344,1.775109076,1.195492746,1.195492746,1.195492746,0.562129754,0.162386152,0.162386152,0.162386152,3.674689108,2.985267979,2.985267979,2.985267979,2.267644441,1.765276817,1.765276817,1.765276817,1.890327588,1.415133181,1.415133181,1.415133181,0.857422689,0.536857124,0.536857124,0.536857124,3.803761995,3.252217518,3.252217518,3.252217518,2.639666545,2.26277616,2.26277616,2.26277616,1.730553434,1.104407163,1.104407163,1.104407163,0.435831157,0.004703131,0.004703131,0.004703131,3.621293872,3.091071415,3.091071415,3.091071415,2.376484409,1.861851204,1.861851204,1.861851204,1.929394785,1.298059931,1.298059931,1.298059931,0.724306504,0.408961048,0.408961048,0.408961048,0,0,0,0,0,4,4,0,1,0,0,0,0,0,0,0,0,0,0,0.707106781,0.125,0,0,0.707106781,0.125,0,0,2.121320344,2.621320344,0,2.121320344,2.621320344,0,7.328427125,4.242640687,2.914213562,3,1.5,0,0,0,0.814269681,0.530330086,0.291421356,0.25,0.25,0,0,0,7.328427125,4.242640687,2.914213562,3,1.5,0,0,0,0.814269681,0.530330086,0.291421356,0.25,0.25,0,0,0,14.41827804,27.87836854,26.25490196,26.6,16.98554491,223.5398563,0.497182001,0.961323053,0.905341447,0.917241379,0.585708445,7.708270906,3.6128,43.597,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,48,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,4,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.208333333,0,5.375,0,0,0,0,0,0,0,0,0,0.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.302083333,0,1.34375,0,0,0,0,0,0,0,0,0,0.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.302083333,0,1.34375,0,0,0,0,0,0,0,0,0,0.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.25,1.694444444,0.2,2.302083333,0,0.666666667,6.732083333,0.583333333,0.302083333,2.416666667,0.583333333,0.302083333,2.416666667,4.5,0.5,0,0,0.42414,0.7,0.42414,0.42414,0.7,0,0,0,0,0.71429,0,0,0.44444,0,0.11111,4,0.44444,4,0.44444,0,0,-4,-0.44444,0,0,11.07107,1.23012,11.07107,0,0,4.24264,0.4714,4.24264,0,0,0.17136,0.01904,0.17136,0.01904,0,8,0,0,0,0,0,0,1,0.893571102,1.325616792,1.995237891,1.995237891,1.827721305,1.43351703,25.91356195,38.44288696,57.86189885,57.86189885,53.00391785,41.57199387,0.183938781,0.272874018,0.4107134,0.4107134,0.376230641,0.29508494,3.964409893,3.532364203,2.862743104,2.862743104,3.03025969,3.424463965,0.185875833,0.275747644,0.415038607,0.415038607,0.380192712,0.298192468,6.65913786,11.84368614,12.51854705,12.51854705,10.50834802,5.777896713,35.68332321,27.32073783,30.34847186,30.34847186,29.34337234,19.88246974,9,3.92,2,9,0,5,2.45,1.3767,1.5,7.019061402,0,2,3,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,3.853,10,12,6,0,0,0,0,0,0,45,2.197224577,2.397895273,2.564949357,1.945910149,0,0,0,0,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.5,8,1,1,2,4,1,3,1.333333333,0.75,0,0,0,0,0,0,0,0.375,0.133333333,0.0625,0,0,0,0,0,0,0,0.570833333,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,0,164.2203203,4.169925001,3.610917913,4.394449155,5.198497031,5.993961427,6.803505258,7.601402335,8.412054873,9.210440367,10.02131503,78.24654339,2.833213344,0,4.043051268,0,5.549076085,0,7.136483209,0,8.741456116,8.968268811,128.1565006,4.419189677,16.42830086,1.825366762,0,0,0,88,12,5.437,36,1.230142857,2.121349563,2.909612768,3.545081013,3.977681278,4.356754031,0,0,0,0,72.40063676,80.54932465,96.2260113,66.2617814,19.12908082,4.426740927,0,0,0,0,275.5059647,340.3496337,424.8349438,409.3363689,237.4371121,135.4242288,0,0,0,0,8.939719117,15.07778393,20.58019479,24.98005525,27.26691045,29.27069511,0,0,0,0,2.098837641,2.771904304,3.541786163,3.768141885,2.678498865,1.937069065,0,0,0,0,176.9060838,329.9031207,459.7773136,564.801096,692.2915066,805.6407258,0,0,0,0,2.491660714,3.383177224,4.599946292,5.978423548,5.338015732,4.356754031,0,0,0,0,0.435567857,0.583208226,0.748520496,0.808326005,0.594496584,0.446131613,0,0,0,0,375.1899386,183.9543703,9.104550462,141.7390721,-69.49419233,-8.440468948,233.4508665,253.4485626,17.54501941,0.725805538,0.355860024,0.017612767,0.274194462,-0.134436626,-0.016328101,193.9465638,95.09135065,4.706406264,73.26903834,-35.92356409,-4.363123264,0.054651513,0.132112797,1.055459976,6.282011201,516.9290108,0,1,0,496.6525532,22.28570289,7.919253116,690.3932748,26.27533586,8.838234442,974.8414171,31.22245053,9.915424777,1.312269645,1.080871463,425.3191316,386.0842576,259.7526301,1.101622569,1.637400674,1.486353603,4.139130056,3.220194404,6.42424645,0.994987148,6.577483003,7.947321096,4.894232853,32.64673409,12.5509315,15.76826118,21.51994865,23.16097971,8.302915224,6.907280967,0.856847676,1.126710554,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.475163179,7.590335798,0.313701462,12.65303744,2.171182234,2.499689191,1.23899304,1.054808198,1.047084484,0.085818343,0.006035917,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.584516329,7.614198103,1.076607389,15.59439644,3.04686507,4.05127613,4.039637656,3.990190405,1.630530531,0.602451745,0.062890516,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.155698932,7.90813001,4.552940442,31.01951764,11.47574245,14.54672713,19.80462297,21.24977999,7.541168937,6.179856596,0.763436589,1.003878819,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.386511028,7.645129725,1.651411966,17.95197167,4.017079759,5.459873195,6.35980804,6.473469944,2.297571008,1.217139377,0.136603977,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,8.193892073,8.112112566,6.227004659,39.12940644,17.03117373,20.75571503,28.40892392,30.87071806,11.4838725,9.952382561,1.249628323,1.643201452,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.845122238,6.567009009,2.609516396,19.9774825,6.170132562,7.980371239,10.81473787,11.00675398,4.141765757,2.574153153,0.29843929,0.392425928,2.80E-15,3.84E-51,1.02E-108,5.20E-188,5.13E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,2.888682359,1.711309498,1.343196526,0.486049267,0.287944684,0.488100275,0.449747773,0.511014452,5.943188382,11.12212264,23.70530843,0.229073901,1.4488625,2.152455777,1.167032579,0.863164121,0.514615017,0.279017343,0.270385225,0.208707721,0.21193646,4.182652476,5.377249263,11.72815794,0.271922526,0.691029406,2.454682878,1.390499183,1.060269934,0.500398919,0.283459951,0.352000337,0.296575399,0.31916834,4.905451996,7.490165469,16.01456742,0.250598379,0.967744076,2.871415325,1.698547471,1.331942281,0.486523468,0.287796474,0.482259513,0.443045525,0.50253089,5.901905078,10.96416191,23.36226282,0.229785202,1.427835928,2.585131028,1.4869357,1.145322894,0.495483607,0.284996101,0.390564961,0.339268579,0.372146389,5.217389622,8.507754864,18.1276782,0.24322541,1.10197993,2.942443786,1.751043652,1.378235901,0.484614272,0.288393188,0.506511765,0.470938227,0.537879225,6.071723339,11.6210804,24.79395405,0.226921408,1.515329217,2.882807732,1.702683592,1.333091496,0.487077366,0.28768434,0.486110471,0.445395808,0.50359341,5.91858282,11.02138891,23.4834639,0.230616049,1.435099689 +UMLS0177,L,"3,3-diethylpentane",CCC(CC)(CC)CC,14020,,"Sandia, UML",[1],C9H20,PubChem,,-7.6,0,0.603,0.363609,40.1487,29.17586,0,0,29,9,20,0,9,0,0,0,0,0,0,0,0,0,1318.698369,1396.254728,1797.896698,1949.278138,1725.435272,623.814912,73.156608,0,0,4433.327004,5682.867541,7945.134187,9508.47605,9617.728623,6812.874852,2238.029599,0,0,202.233924,202.676768,382.19428,507.916648,628.801568,623.821824,483.729408,0,0,33.9923581,44.5820862,66.18204716,82.21225631,88.20244002,72.12386888,32.01212915,0,0,4839.502245,4076.805803,8514.057329,11461.03381,14778.61773,15116.42368,13314.07095,0,0,47.58333333,56.22222222,85.11111111,115,140,138,72,0,0,45.47235755,49.86624029,33.2943833,27.07330747,19.17150302,6.9312768,1.016064,0,0,152.873345,202.9595551,147.1321146,132.0621674,106.8636514,75.69860947,31.08374443,0,0,6.973583586,7.238456,7.077671852,7.054397889,6.986684089,6.9313536,6.718464,0,0,1.172150279,1.592217364,1.225593466,1.141836893,0.980027111,0.801376321,0.444612905,0,0,166.8793878,145.6002072,157.6677283,159.1810252,164.2068636,167.9602631,184.917652,0,0,1.640804598,2.007936508,1.576131687,1.597222222,1.555555556,1.533333333,1,0,0,0.039622214,-0.009010392,-4.68E-04,-0.004910494,-0.001029033,-0.042823548,0.038430561,0,0,751.4441938,-57.58193056,36.85243556,-204.1279438,-236.3738249,-754.0353807,839.5445475,0,0,1397.342566,-107.0760587,68.52867757,-379.5846281,-439.547221,-1402.160989,1561.168936,0,0,0.147202759,-0.011279905,0.007219139,-0.039987263,-0.04630401,-0.147710354,0.164461013,0,0,6.246771423,-0.478679803,0.306355074,-1.6969199,-1.964980589,-6.268312014,6.979151521,0,0,33.93256151,-2.600196285,1.664125622,-9.217695829,-10.67380575,-34.04957035,37.91086183,0,0,4.126436782,-2.198705245,0.772228828,-1.124256837,3.107609988,-6.237217598,3.617122473,0,0,0.001366283,-3.22E-04,-8.67E-06,-6.82E-05,-1.14E-05,-4.76E-04,5.34E-04,0,0,25.91186875,-2.05649752,0.68245251,-2.835110331,-2.626375833,-8.378170896,11.66034094,0,0,48.18422642,-3.824144954,1.269049585,-5.272008724,-4.883858011,-15.57956654,21.68290189,0,0,0.005075957,-4.03E-04,1.34E-04,-5.55E-04,-5.14E-04,-0.001641226,0.002284181,0,0,0.215405911,-0.017095707,0.005673242,-0.023568332,-0.021833118,-0.069647911,0.09693266,0,0,1.170088328,-0.092864153,0.030817141,-0.128023553,-0.118597842,-0.378328559,0.526539748,0,0,0.142290924,-0.078525187,0.014300534,-0.015614678,0.034529,-0.069302418,0.050237812,0,0,-0.235529272,-0.006345972,-0.049917399,-0.00836847,-0.348256628,0.390664079,0,0,-0.079365079,0.026337449,-0.10941358,-0.101358025,-0.323333333,0.45,0,0,-0.079365079,0.026337449,-0.10941358,-0.101358025,-0.323333333,0.45,0,0,-0.079365079,0.026337449,-0.10941358,-0.101358025,-0.323333333,0.45,0,0,-0.079365079,0.026337449,-0.10941358,-0.101358025,-0.323333333,0.45,0,0,-0.079365079,0.026337449,-0.10941358,-0.101358025,-0.323333333,0.45,0,0,-0.551863642,0.100502081,-0.109737697,0.24266481,-0.487047354,0.353064067,0,0,1.769789966,1.035944901,1.132017818,1.033193297,1.400127248,1.01E-05,0,0,1.611111111,1.169547325,1.25308642,1.102716049,1.202962963,0,0,0,1.611111111,1.169547325,1.25308642,1.102716049,1.202962963,0,0,0,1.611111111,1.169547325,1.25308642,1.102716049,1.202962963,0,0,0,1.611111111,1.169547325,1.25308642,1.102716049,1.202962963,0,0,0,1.611111111,1.169547325,1.25308642,1.102716049,1.202962963,0,0,0,2.167595172,0.708569758,1.107358403,0.716248839,1.809470752,0,0,0,41.48767932,20.74383966,28.20794127,41.48767932,4.609742146,20.74383966,-3.55E-15,1.67E-16,1.85E-17,-32.69820192,4000010.529,444445.6143,13.6816268,41.48767932,20.74383966,28.20794127,41.48767932,4.609742146,20.74383966,-3.55E-15,1.67E-16,1.85E-17,-32.69820192,4000010.529,444445.6143,13.6816268,41.48767932,20.74383966,28.20794127,41.48767932,4.609742146,20.74383966,-3.55E-15,1.67E-16,1.85E-17,-32.69820192,4000010.529,444445.6143,13.6816268,41.48767932,20.74383966,28.20794127,41.48767932,4.609742146,20.74383966,-3.55E-15,1.67E-16,1.85E-17,-32.69820192,4000010.529,444445.6143,13.6816268,41.48767932,20.74383966,28.20794127,41.48767932,4.609742146,20.74383966,-3.55E-15,1.67E-16,1.85E-17,-32.69820192,4000010.529,444445.6143,13.6816268,41.48767932,20.74383966,28.20794127,41.48767932,4.609742146,20.74383966,-3.55E-15,1.67E-16,1.85E-17,-32.69820192,4000010.529,444445.6143,13.6816268,57.13472433,28.40301031,39.96807578,56.87906589,6.31989621,28.40301031,-0.328703704,3.33E-16,3.70E-17,-32.07436945,4000010.15,444445.5722,13.68162671,0,11.89,12.11013444,-0.163192193,0.057764447,5.755740236,9.528254218,8,28,28,28,8,0,0,0,0,0,21.86414,3.617524123,3.112599877,2.965363309,2.333552793,2.333552793,2.125929093,1.462643658,1.162837791,1.96903559,1.667247237,1.594218112,1.249629723,1.249629723,1.019639561,0.650559209,0.440344289,3.640334947,3.150713835,3.010171117,2.405454588,2.405454588,2.19362226,1.561842269,1.269690916,1.915793754,1.58857667,1.50783984,1.134540686,1.134540686,0.904749603,0.510120709,0.290000277,3.742113118,3.318028628,3.203998973,2.704236987,2.704236987,2.480513925,1.963546673,1.702702127,1.762729161,1.351217995,1.241889798,0.76031856,0.76031856,0.535194176,0.036881706,0.218324093,3.657217156,3.178805544,3.04304316,2.457539916,2.457539916,2.243019406,1.633146515,1.346550641,1.882203215,1.537907807,1.451768135,1.058262671,1.058262671,0.82887486,0.415804023,0.188893887,3.792584186,3.398793114,3.295890183,2.838982085,2.838982085,2.612248097,2.138641733,1.891182114,1.716091445,1.275766962,1.155485387,0.631337262,0.631337262,0.409786318,0.132771797,0.40108138,3.60570914,3.243302266,3.123728358,2.627181624,2.627181624,2.310625592,1.69996968,1.403021959,1.923265063,1.458235189,1.356848153,0.88524614,0.88524614,0.728730198,0.315044031,0.091314842,0,0,0,0,0,5,1,3,0,0,0,0,0,0,0,0,0,0,0,0.80274943,0,0.272165527,0,0.80274943,0,0.272165527,0,1.536718518,2.329866988,1.008946671,1.536718518,2.329866988,1.008946671,7.439157589,4.091422815,3.560136773,2.184013921,1.712609401,0,0,0,0.826573065,0.511427852,0.356013677,0.218401392,0.214076175,0,0,0,7.439157589,4.091422815,3.560136773,2.184013921,1.712609401,0,0,0,0.826573065,0.511427852,0.356013677,0.218401392,0.214076175,0,0,0,14.41827804,27.87836854,26.25490196,26.6,16.98554491,223.5398563,0.497182001,0.961323053,0.905341447,0.917241379,0.585708445,7.708270906,3.3246,43.457,20.74383966,28.20794127,41.48767932,4.609742146,20.74383966,1.67E-16,1.85E-17,-32.69820192,4000010.529,444445.6143,13.6816268,50,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,5,0,1,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,11.53703704,0,1.328703704,0,0,0,2.634259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.282407407,0,1.328703704,0,0,0,0.856481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.313657407,0,1.328703704,0,0,0,0.921296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.5,1.722222222,0.2,2.313657407,0.2,0.856481481,6.74399537,0.476851852,0.313657407,3.074074074,0.476851852,0.313657407,3.074074074,4.5,0.5,0,0,0.42414,0.7,0.42414,0.42414,0.7,0,0,0,0,0.71429,0,0,0.55556,0.33333,0,4,0.44444,4,0.44444,0,0,-4,-0.44444,0,0,11.20719,1.24524,11.20719,0,0,4.0914,0.4546,4.0914,0,0,0.3226,0.03584,0.3226,0.03584,0,8,0,0,0,0,0,0,1,0.893571102,1.313046862,2.259420773,2.727827978,2.560311391,1.959210565,25.91356195,38.07835898,65.52320242,79.10701135,74.24903035,56.81710637,0.183938781,0.270286537,0.465094609,0.561514749,0.52703199,0.403297289,3.964409893,3.544934134,2.598560222,2.130153018,2.297669604,2.898770431,0.185875833,0.273132915,0.469992503,0.567428039,0.532582144,0.407544397,6.65913786,11.69284698,15.05904027,15.53111277,13.52091374,8.14907544,35.68332321,27.61103379,24.59606233,24.23775986,23.23266034,18.86723238,9,3.92,2.88,9,0,5,2.45,1.3767,2.871745887,2.076218233,7.671838029,0,0,1.889881575,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.139,0.124,0.01,-0.005,3.581,10,10,8,0,0,0,0,0,0,45,2.197224577,2.397895273,2.397895273,2.197224577,0,0,0,0,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.375,8,1,1,2,4,1,2.5,1.333333333,1,0,0,0,0,0,0,0,0.3125,0.133333333,0.1,0,0,0,0,0,0,0,0.545833333,20.74383966,28.20794127,41.48767932,4.609742146,20.74383966,1.67E-16,1.85E-17,-32.69820192,4000010.529,444445.6143,13.6816268,0,164.2203203,4.169925001,3.610917913,4.343805422,5.141663557,5.888877958,6.690842277,7.44132039,8.24407127,8.995288991,9.798182591,77.15497037,2.833213344,0,4.043051268,0,5.451038454,0,6.947937069,0,8.479906607,8.727454117,128.1565006,4.419189677,16.33353187,1.814836875,0,0,0,90,10,5.278,36,1.230142857,2.12123258,2.909303691,3.528225159,4.185537745,4.599846603,0,0,0,0,72.40063676,80.54106823,87.24111763,74.4959363,29.72280583,4.673738539,0,0,0,0,275.5059647,340.2839048,407.4650411,400.5023129,322.207197,142.9804562,0,0,0,0,8.939719117,15.0767006,20.57224469,24.71943965,29.0370558,30.90390381,0,0,0,0,2.098837641,2.77135494,3.460983806,3.612801768,3.397114609,2.04515116,0,0,0,0,176.9060838,329.9051835,459.6490898,574.1769404,700.963803,850.5928336,0,0,0,0,2.516301587,3.469306064,4.753082027,5.665279221,6.481992212,4.599846603,0,0,0,0,0.435567857,0.583093918,0.733516745,0.773919544,0.7445912,0.471024292,0,0,0,0,386.1403525,188.8911008,9.254304561,134.2857417,-65.68953858,-8.044892775,251.8546108,254.5806394,17.29919734,0.741969622,0.362954708,0.017782169,0.258030378,-0.126222607,-0.015458281,200.9575155,98.30385786,4.816181578,69.88580409,-34.18655,-4.186772125,0.062022785,0.132704154,0.624292321,7.23661783,520.4260943,0,1,0,496.6525532,22.28570289,7.919253116,690.3932748,26.27533586,8.838234442,947.9588276,30.78894002,9.823430082,1.109914425,1.04424354,523.3504508,339.9512092,302.5450558,1.539486952,1.729826486,1.12363829,4.302783096,3.220218461,6.42424645,0.994972244,5.578011223,7.947188571,4.934036049,29.37692058,9.060692396,9.670652939,15.17119569,26.01345368,9.222014477,10.6138064,3.081001081,1.520643639,8.38E-15,1.11E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.468123817,7.59033269,0.295166782,11.86902249,1.569411516,2.041956784,1.501300007,1.420290015,1.170388298,0.213342923,0.021700817,0.010710017,5.90E-17,7.81E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.511160755,7.61418279,1.0311893,14.63934634,2.114126779,2.76920958,3.387574909,5.002169261,1.998040867,1.135055327,0.226130807,0.11160664,6.15E-16,8.14E-52,2.15E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.26518757,7.908010436,4.575449119,28.02087926,8.253828176,8.910029042,14.01451428,23.99912223,8.440476869,9.55213717,2.745117234,1.354866105,7.46E-15,9.88E-51,2.61E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.22717292,7.645101813,1.599057233,16.7796363,2.780349883,3.514868251,4.950872349,7.888021632,2.80844294,2.124456183,0.491183687,0.242424535,1.34E-15,1.77E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.736256414,8.111926385,6.346423247,34.72044206,12.44356298,12.82026228,19.81699817,34.04927016,12.44340601,15.0272002,4.493347016,2.217715835,1.22E-14,1.62E-50,4.27E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.479146602,6.26800044,2.377196266,19.19004249,4.045896746,4.694578792,7.644214489,12.60072109,4.831239312,4.18619914,1.038760537,0.512683183,2.82E-15,3.74E-51,9.86E-109,5.04E-188,4.96E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,2.880138324,2.537816558,0.945364797,0.452615689,0.398819592,0.457044021,0.513294259,0.436711226,6.363319679,12.43120654,25.7044459,0.277152922,1.407049507,2.187800648,1.896265108,0.465062117,0.48092749,0.416841461,0.274102754,0.300607242,0.105709545,4.549127872,6.047994296,12.52650213,0.346653426,0.680419541,2.471430125,2.160260382,0.662265666,0.466839929,0.408061629,0.343538066,0.382164183,0.21435281,5.293956173,8.406342183,17.2360901,0.312352338,0.94005506,2.863850382,2.52282467,0.93410313,0.453085095,0.399131974,0.452211282,0.50775922,0.426371774,6.320778182,12.25670242,25.32636861,0.278325603,1.386342276,2.594117394,2.27391624,0.747367096,0.461964786,0.404942826,0.375924128,0.419835869,0.272970085,5.61540073,9.537013831,19.56098783,0.300361417,1.068730082,2.930864226,2.584480242,0.98042753,0.451195674,0.397871145,0.472260999,0.530697795,0.469695088,6.495771998,12.98215624,26.90443215,0.273600229,1.472653883,2.872767826,2.529717085,0.936495289,0.45319085,0.399073196,0.455013818,0.510505416,0.42860462,6.3389802,12.32669152,25.47145443,0.278396069,1.394123854 +UMLS0178,L,"2,4-Dimethyl-3-ethylpentane",CCC(C(C)C)C(C)C,14040,,"Sandia, UML","[1], [9]",C9H20,PubChem,,8.7,0,0.8059,0.64947481,38.6257,29.17586,0,0,29,9,20,0,9,0,0,0,0,0,0,0,0,0,1318.698369,1396.254728,1797.896698,1465.014102,1096.052669,871.862212,675.105483,236.216736,27.433728,4433.327004,5682.867541,7945.134187,8607.966396,6934.677456,5088.618011,4081.819666,2624.766494,839.2610996,202.233924,202.676768,382.19428,507.821784,619.150388,374.86696,311.98206,249.049728,181.398528,33.9923581,44.5820862,66.18204716,78.18655917,69.12881345,48.10273616,39.0812073,28.04682987,12.00454843,4839.502245,4076.805803,8514.057329,11439.16616,15525.29949,9053.567731,7574.612576,6084.723595,4992.776605,46.5625,55.125,86.625,118.625,115.375,76,65.25,54,27,45.47235755,49.86624029,33.2943833,20.34741808,12.17836299,16.14559652,15.00234407,6.561576,1.016064,152.873345,202.9595551,147.1321146,119.5550888,77.05197173,94.23366687,90.70710369,72.9101804,31.08374443,6.973583586,7.238456,7.077671852,7.053080333,6.879448756,6.941980741,6.932934667,6.918048,6.718464,1.172150279,1.592217364,1.225593466,1.085924433,0.768097927,0.89079141,0.868471273,0.779078607,0.444612905,166.8793878,145.6002072,157.6677283,158.8773078,172.5033277,167.6586617,168.3247239,169.0200999,184.917652,1.605603448,1.96875,1.604166667,1.647569444,1.281944444,1.407407407,1.45,1.5,1,0.039758999,-0.007785034,0.005763874,-0.035911028,0.01516774,6.09E-04,0.002818288,-0.015115532,0.014573148,751.4441938,-57.58193056,36.85243556,-688.3919798,302.1611806,-13.24384403,-13.81966333,-256.5275006,314.8292053,1397.342566,-107.0760587,68.52867757,-1280.094282,561.8816181,-24.6274935,-25.69825409,-477.0238416,585.438351,0.147202759,-0.011279905,0.007219139,-0.134851263,0.059191301,-0.002594378,-0.002707177,-0.050251976,0.06167288,6.246771423,-0.478679803,0.306355074,-5.722617039,2.511872264,-0.110096355,-0.114883153,-2.13251852,2.61718182,33.93256151,-2.600196285,1.664125622,-31.08534658,13.64453,-0.598045145,-0.624047108,-11.58387445,14.21657319,3.715517241,-1.962395957,2.314209275,-3.817404875,1.294515458,-0.106049346,1.372473246,-2.207193817,1.254087396,0.001371,-2.78E-04,1.07E-04,-4.99E-04,1.69E-04,1.13E-05,6.26E-05,-4.20E-04,5.40E-04,25.91186875,-2.05649752,0.68245251,-9.56099972,3.357346451,-0.245256371,-0.30710363,-7.125763907,11.66034094,48.18422642,-3.824144954,1.269049585,-17.77908725,6.24312909,-0.456064695,-0.571072313,-13.25066227,21.68290189,0.005075957,-4.03E-04,1.34E-04,-0.001872934,6.58E-04,-4.80E-05,-6.02E-05,-0.001395888,0.002284181,0.215405911,-0.017095707,0.005673242,-0.079480792,0.027909692,-0.002038821,-0.002552959,-0.059236626,0.09693266,1.170088328,-0.092864153,0.030817141,-0.431740925,0.151605889,-0.01107491,-0.013867714,-0.32177429,0.526539748,0.128121284,-0.07008557,0.042855727,-0.053019512,0.014383505,-0.001963877,0.030499405,-0.061310939,0.046447681,-0.202798629,0.077854423,-0.363795973,0.122925201,0.008226536,0.045680979,-0.306255215,0.393687983,-0.079365079,0.026337449,-0.368981481,0.129567901,-0.009465021,-0.011851852,-0.275,0.45,-0.079365079,0.026337449,-0.368981481,0.129567901,-0.009465021,-0.011851852,-0.275,0.45,-0.079365079,0.026337449,-0.368981481,0.129567901,-0.009465021,-0.011851852,-0.275,0.45,-0.079365079,0.026337449,-0.368981481,0.129567901,-0.009465021,-0.011851852,-0.275,0.45,-0.079365079,0.026337449,-0.368981481,0.129567901,-0.009465021,-0.011851852,-0.275,0.45,-0.547025191,0.334493426,-0.413822828,0.112264759,-0.015328263,0.238051044,-0.478538283,0.362529002,1.735255936,1.002130298,1.519311707,0.646465895,0.909541448,0.883009181,1.302007609,9.26E-05,1.611111111,1.169547325,1.503703704,0.651604938,0.918930041,0.902222222,1.127777778,0,1.611111111,1.169547325,1.503703704,0.651604938,0.918930041,0.902222222,1.127777778,0,1.611111111,1.169547325,1.503703704,0.651604938,0.918930041,0.902222222,1.127777778,0,1.611111111,1.169547325,1.503703704,0.651604938,0.918930041,0.902222222,1.127777778,0,1.611111111,1.169547325,1.503703704,0.651604938,0.918930041,0.902222222,1.127777778,0,2.153132251,0.523330755,1.684470869,0.552113947,0.867856836,0.70649652,1.883990719,0,47.92689089,23.96344545,37.50156891,47.92689089,5.325210099,23.96344545,3.55E-14,0.154132467,0.01712583,-1.682948582,35.89791411,3.988657124,3.222611272,47.92689089,23.96344545,37.50156891,47.92689089,5.325210099,23.96344545,3.55E-14,0.154132467,0.01712583,-1.682948582,35.89791411,3.988657124,3.222611272,47.92689089,23.96344545,37.50156891,47.92689089,5.325210099,23.96344545,3.55E-14,0.154132467,0.01712583,-1.682948582,35.89791411,3.988657124,3.222611272,47.92689089,23.96344545,37.50156891,47.92689089,5.325210099,23.96344545,3.55E-14,0.154132467,0.01712583,-1.682948582,35.89791411,3.988657124,3.222611272,47.92689089,23.96344545,37.50156891,47.92689089,5.325210099,23.96344545,3.55E-14,0.154132467,0.01712583,-1.682948582,35.89791411,3.988657124,3.222611272,47.92689089,23.96344545,37.50156891,47.92689089,5.325210099,23.96344545,3.55E-14,0.154132467,0.01712583,-1.682948582,35.89791411,3.988657124,3.222611272,60.83995519,30.28849611,48.12025704,60.63542844,6.737269826,30.28849611,-0.262962963,0.125427182,0.013936354,-1.868426923,35.40215743,3.933573048,3.210095486,0,11.89,12.11013444,-0.159448839,0.061809525,5.16629211,8.825788897,8,28,28,28,8,0,0,0,0,0,21.86414,3.578354227,3.286597921,2.776749821,2.333552793,2.333552793,2.152144173,1.57017899,1.18440105,1.951498238,1.774858276,1.449184654,1.249629723,1.249629723,1.057839088,0.730986423,0.545419754,3.602722233,3.319952215,2.824756286,2.405454588,2.405454588,2.220940542,1.664903395,1.303639071,1.895510487,1.704693676,1.357415562,1.134540686,1.134540686,0.941693355,0.591409188,0.390630622,3.711358918,3.466244717,3.03266443,2.704236987,2.704236987,2.512106899,2.053280931,1.77464362,1.733319315,1.495315213,1.073286207,0.76031856,0.76031856,0.567538069,0.124915905,0.141231313,3.620756845,3.344515217,2.860001164,2.457539916,2.457539916,2.271117815,1.733299132,1.388602848,1.860066049,1.659727513,1.297694452,1.058262671,1.058262671,0.864942044,0.49792829,0.285974778,3.765080388,3.537053666,3.131134226,2.838982085,2.838982085,2.645618959,2.224639705,1.974667832,1.683612682,1.429269569,0.980628799,0.631337262,0.631337262,0.440379637,0.040486179,0.336663552,3.606898937,3.366416088,2.920933027,2.642252836,2.642252836,2.337013195,1.808146433,1.48780245,1.866251858,1.616712059,1.209401867,0.871761033,0.871761033,0.762987202,0.385383458,0.155644914,0,0,0,0,0,4,4,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.560660172,0.353553391,0,0,0.75,0.780330086,0.551776695,0.75,0.780330086,0.551776695,7.328427125,4.060660172,4.017766953,1.530330086,0.905330086,0.5,0.375,0,0.814269681,0.507582521,0.401776695,0.255055014,0.181066017,0.125,0.125,0,7.328427125,4.060660172,4.017766953,1.530330086,0.905330086,0.5,0.375,0,0.814269681,0.507582521,0.401776695,0.255055014,0.181066017,0.125,0.125,0,14.41827804,27.87836854,26.25490196,26.6,16.98554491,223.5398563,0.497182001,0.961323053,0.905341447,0.917241379,0.585708445,7.708270906,3.6128,43.597,23.96344545,37.50156891,47.92689089,5.325210099,23.96344545,0.154132467,0.01712583,-1.682948582,35.89791411,3.988657124,3.222611272,76,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,4,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.177222222,0,5.522013889,0,0,0,0,0,0,0,0,0,0.550763889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.252638889,0,1.343333333,0,0,0,0,0,0,0,0,0,0.550763889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.308194444,0,1.402777778,0,0,0,0,0,0,0,0,0,0.550763889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.25,1.694444444,0.2,2.308194444,0,0.550763889,6.761107847,0.699236111,0.308194444,2.354444444,0.699236111,0.308194444,2.354444444,4.5,0.5,0,0,0.42414,0.7,0.42414,0.42414,0.7,0,0,0,0,0.71429,0,0,0.44444,0,0.11111,4,0.44444,4,0.44444,0,0,-4,-0.44444,0,0,10.69874,1.18875,10.69874,0,0,4.06066,0.45118,4.06066,0,0,0.35334,0.03926,0.35334,0.03926,0,8,0,0,0,0,0,0,1,0.893571102,1.325616792,2.314034874,2.96853315,2.58934479,1.945304393,25.91356195,38.44288696,67.10701135,86.08746134,75.09099892,56.41382739,0.183938781,0.272874018,0.476336749,0.611063146,0.533008423,0.400434747,3.964409893,3.532364203,2.543946121,1.889447845,2.268636205,2.912676602,0.185875833,0.275747644,0.481353033,0.617498229,0.538621515,0.404651711,6.65913786,11.84368614,16.34411084,15.9595166,11.7332423,12.29097533,35.68332321,27.32073783,23.72936322,23.57623797,31.29687818,24.77098537,9,3.92,8,9,0,7,2.45,1.3767,1.732050808,5.345770332,0,2.67496122,3.965406457,0,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,3.853,10,6,5,4,3,0,0,0,0,45,2.197224577,2.397895273,1.945910149,1.791759469,1.609437912,1.386294361,0,0,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.5,8,1,1,3,6,1,3,0.666666667,0.375,0.24,0.166666667,0,0,0,0,0,0.375,0.066666667,0.0625,0.048,0.041666667,0,0,0,0,0,0.593833333,23.96344545,37.50156891,47.92689089,5.325210099,23.96344545,0.154132467,0.01712583,-1.682948582,35.89791411,3.988657124,3.222611272,0,164.2203203,4.169925001,3.610917913,4.234106505,5.043425117,5.693732139,6.514712691,7.17395832,8.000014094,8.66302364,9.491677357,75.42556777,2.833213344,0,4.043051268,0,5.398162702,0,6.816735881,0,8.267962305,8.538954683,128.1565006,4.419189677,16.43623173,1.82624797,0,0,0,104,6,5.437,36,1.230142857,2.121349563,2.913485006,3.481061213,4.49798108,5.584722509,6.518510927,7.478183071,0,0,72.40063676,80.54932465,66.48457976,53.08654744,87.83975635,97.45167185,46.43442165,7.598312604,0,0,275.5059647,340.3496337,367.456183,301.9953927,475.301339,550.5383745,502.8914606,232.4499314,0,0,8.939719117,15.07778393,20.58661234,24.03735772,31.37364934,38.83802496,45.22719334,50.24190375,0,0,2.098837641,2.771904304,3.276228214,2.889773366,4.345030179,5.133516887,5.29934135,3.324896698,0,0,176.9060838,329.9031207,460.2704491,593.8608525,742.954088,931.1597313,1091.259304,1382.848055,0,0,2.471263393,3.550009853,4.878596698,4.620287909,6.613400034,8.401588967,10.10800793,7.478183071,0,0,0.435567857,0.583208226,0.699302419,0.626735989,0.933590093,1.106944236,1.161410306,0.765765947,0,0,423.0841731,208.6115269,10.27886454,157.4948465,-77.65651021,-9.514352714,265.5893266,286.2680371,19.79321725,0.728727975,0.359316337,0.017704506,0.271272025,-0.133757004,-0.016387696,245.6337945,121.1154758,5.967693098,91.43820359,-45.08574057,-5.523833571,0.054828761,0.132386549,0.76050366,8.618193384,580.5790197,0,1,0,496.6525532,22.28570289,7.919253116,690.3932748,26.27533586,8.838234442,862.6989968,29.37173806,9.519623323,1.99023833,1.896459864,868.9062818,859.4468741,134.3341125,1.01100639,6.468247459,6.39783044,4.773232902,4.466158665,8.836778877,0.978608361,5.578011069,7.58828792,3.37486961,30.06848493,8.072949869,6.420950138,7.648064934,14.43758131,11.00749151,5.91789572,5.586532815,7.354565918,5.969217856,6.740261725,3.036606853,0.280810174,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.468123816,7.587802768,0.195900463,10.64387599,1.055322956,0.180606765,0.604392179,0.697647036,3.32659568,0.247093157,0.050156792,1.263811973,0.358293224,1.051075197,0.116709126,0.001977835,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.511160743,7.587835974,0.689934111,13.03454379,1.545087821,0.818986981,1.578922821,2.510360993,4.54413074,0.961633733,0.436474536,1.917399917,1.250618102,1.676892681,0.467770558,0.020610049,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,5.265187433,7.588234933,3.125470447,28.32238592,7.309845972,5.814134873,7.052979798,13.24553118,10.4133482,5.414017665,4.984477014,6.773090458,5.536223549,6.202543395,2.771196923,0.250196855,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,2.227172895,7.587878314,1.075054375,15.14310722,2.161197965,1.445880449,2.385451062,4.049247806,5.483941572,1.583676672,0.922511641,2.541151232,1.938287479,2.265487935,0.781494528,0.044767616,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,6.73625619,7.588510546,4.360486649,37.16586536,11.27703275,8.922941456,10.03746684,19.24962838,13.34804357,7.961468136,8.114430664,9.744361849,7.674018597,8.946274671,4.11769161,0.409535031,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,3.49701269,6.3180699,1.498536459,19.7913239,3.548983654,2.836732872,3.587457636,6.570525772,7.185508188,2.724224,1.979943464,4.35432438,3.180488466,3.925919281,1.489472873,0.09780465,0.048527419,5.50E-20,1.20E-59,5.06E-121,4.11E-204,0.00E+00,0,0,0,0,0,0,0,0,7.147796621,1.062425332,0.9731367,0.778342314,0.11569028,0.532651572,0.482814882,0.458486945,9.183358653,15.58366849,32.15702743,0.667513471,1.4739534,6.219651609,0.561098745,0.487106314,0.855775216,0.077202781,0.403181504,0.134569045,0.114875335,7.267856668,6.792785024,15.76056416,0.783662824,0.652625885,6.600673364,0.766955895,0.686649265,0.819523852,0.095223414,0.454147224,0.251523164,0.228270185,8.054278524,10.12140256,21.65179173,0.729285779,0.933940573,7.126029175,1.050672694,0.961739636,0.779786047,0.114972853,0.529408396,0.472187856,0.44781053,9.138441504,15.35098255,31.69008822,0.66967907,1.449406781,6.76512559,0.855782216,0.77276575,0.805979116,0.101955623,0.477084247,0.31319804,0.289117915,8.393673556,11.67865071,24.54623162,0.708968673,1.079400202,7.215570128,1.099016109,1.008621289,0.773936449,0.117879614,0.542812905,0.516657939,0.492533226,9.323207526,16.31629649,33.63789889,0.660904674,1.55200407,7.14651738,1.05316891,0.965253725,0.779766956,0.114912799,0.532467002,0.47444468,0.451089008,9.164940016,15.44126766,31.87118011,0.669650434,1.45800069 +UMLS0179,L,"2,2-Dimethylheptane",CCCCCC(C)(C)C,14062,,"Sandia, UML",[1],C9H20,PubChem,,-10.2,0,1.4799,2.19010401,47.6934,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2005.6539,1927.005539,1398.377407,899.0389,368.373769,65.70144,3.048192,4670.34144,5841.481647,7855.078337,8160.663239,6925.542097,5153.07416,2933.54678,987.3701208,93.25123329,169.463656,175.052008,300.821808,362.461772,360.770236,335.75368,249.472612,142.684416,20.155392,34.11358067,43.47862034,61.52167806,66.52356413,59.82214137,47.44185294,29.72218556,12.01259662,1.333838715,3856.790689,3411.659229,6369.569539,7932.976182,8038.288948,7848.676506,6058.395404,3756.090275,554.7529561,48.05555556,58.52777778,85.83333333,97.83333333,93,80,55.5,25,3,60.70275442,67.17251842,47.75366429,37.78442233,27.41916484,18.72997708,10.23260469,3.12864,1.016064,194.59756,243.3950686,187.0256747,160.0130047,135.7949431,107.3557117,81.48741055,47.0176248,31.08374443,7.060985667,7.293833667,7.162424,7.107093569,7.073926196,6.994868333,6.929794778,6.794496,6.718464,1.421399194,1.811609181,1.464801859,1.30438361,1.172983164,0.988371936,0.825616265,0.572028411,0.444612905,160.6996121,142.1524679,151.6564176,155.5485526,157.6135088,163.5140939,168.2887612,178.8614417,184.917652,2.002314815,2.438657407,2.043650794,1.918300654,1.823529412,1.666666667,1.541666667,1.19047619,1,0.050443125,-7.69E-04,-0.011744223,-0.008864874,-0.015099094,3.25E-04,-0.002637454,0.009309062,0.00425944,706.2183858,-4.97E-14,15.13325112,-68.09963006,-350.5869844,-171.5101794,-80.71067267,239.6098095,63.05521302,1313.243245,2.42E-13,28.14092668,-126.6341701,-651.9314681,-318.9305024,-150.0849423,445.5646724,117.2538612,0.138343333,2.24E-15,0.0029645,-0.01334025,-0.068677583,-0.033597667,-0.015810667,0.046937917,0.012352083,5.870808328,1.35E-14,0.125803036,-0.56611366,-2.914436992,-1.425767737,-0.670949523,1.991881397,0.524179315,31.89032402,-1.08E-13,0.683364086,-3.075138387,-15.83126799,-7.744792975,-3.644608459,10.81993136,2.847350359,4.49537037,-0.300925926,0.621527778,-0.233217593,-2.147569444,-0.608796296,-1.083333333,1.142939815,0.361689815,0.002101797,-3.20E-05,-2.80E-04,-1.74E-04,-2.96E-04,6.76E-06,-7.33E-05,4.43E-04,0.001419813,29.42576608,-2.07E-15,0.360315503,-1.335286864,-6.874254596,-3.573128738,-2.24196313,11.40999093,21.01840434,54.71846854,1.01E-14,0.670022064,-2.483022942,-12.78296996,-6.644385466,-4.169026175,21.21736535,39.08462039,0.005764306,9.34E-17,7.06E-05,-2.62E-04,-0.001346619,-7.00E-04,-4.39E-04,0.002235139,0.004117361,0.244617014,5.62E-16,0.00299531,-0.011100268,-0.057145823,-0.029703495,-0.018637487,0.094851495,0.174726438,1.328763501,-4.51E-15,0.016270573,-0.060296831,-0.310417019,-0.161349854,-0.101239124,0.515234827,0.949116786,0.187307099,-0.01253858,0.01479828,-0.004572894,-0.042109205,-0.012683256,-0.030092593,0.054425705,0.120563272,-0.015247073,-0.13304062,-0.082701171,-0.140860741,0.003218388,-0.034857137,0.210909376,0.675523564,-7.04E-17,0.012244898,-0.045378151,-0.233613445,-0.121428571,-0.076190476,0.387755102,0.714285714,1.84E-16,0.012244898,-0.045378151,-0.233613445,-0.121428571,-0.076190476,0.387755102,0.714285714,1.62E-14,0.012244898,-0.045378151,-0.233613445,-0.121428571,-0.076190476,0.387755102,0.714285714,2.30E-15,0.012244898,-0.045378151,-0.233613445,-0.121428571,-0.076190476,0.387755102,0.714285714,-3.40E-15,0.012244898,-0.045378151,-0.233613445,-0.121428571,-0.076190476,0.387755102,0.714285714,-0.066941298,0.079005444,-0.024413885,-0.224813715,-0.067713697,-0.160659114,0.290569369,0.643666323,1.110559694,1.079046109,1.033609998,1.106873667,0.987633917,0.977801274,0.534577847,0.342851724,1.15,1.032653061,1.043697479,1.198319328,1.026785714,0.930952381,0.375510204,0,1.15,1.032653061,1.043697479,1.198319328,1.026785714,0.930952381,0.375510204,0,1.15,1.032653061,1.043697479,1.198319328,1.026785714,0.930952381,0.375510204,0,1.15,1.032653061,1.043697479,1.198319328,1.026785714,0.930952381,0.375510204,0,1.15,1.032653061,1.043697479,1.198319328,1.026785714,0.930952381,0.375510204,0,1.237641607,0.851037222,0.965590356,1.189919428,1.017057158,1.154737384,0.487273797,0,41.58133348,20.79066674,30.88396902,41.58133348,4.158133348,20.79066674,-3.55E-15,0.343210611,0.034321061,-1.069410993,50.67483704,5.067483704,3.925429477,41.58133348,20.79066674,30.88396902,41.58133348,4.158133348,20.79066674,-3.55E-15,0.343210611,0.034321061,-1.069410993,50.67483704,5.067483704,3.925429477,41.58133348,20.79066674,30.88396902,41.58133348,4.158133348,20.79066674,-3.55E-15,0.343210611,0.034321061,-1.069410993,50.67483704,5.067483704,3.925429477,41.58133348,20.79066674,30.88396902,41.58133348,4.158133348,20.79066674,-3.55E-15,0.343210611,0.034321061,-1.069410993,50.67483704,5.067483704,3.925429477,41.58133348,20.79066674,30.88396902,41.58133348,4.158133348,20.79066674,-3.55E-15,0.343210611,0.034321061,-1.069410993,50.67483704,5.067483704,3.925429477,41.58133348,20.79066674,30.88396902,41.58133348,4.158133348,20.79066674,-3.55E-15,0.343210611,0.034321061,-1.069410993,50.67483704,5.067483704,3.925429477,49.57322175,24.44753111,37.63931912,49.51544397,4.951544397,24.44753111,-0.144444444,0.464638481,0.046463848,-0.766495636,43.74522505,4.374522505,3.778382465,0,11.89,12.11015511,-0.153431537,0.066850032,5.365885795,9.07275657,10,24,21,18,4,3,0,0,0,6,15.304898,3.819135796,3.218956785,2.873216398,2.659253566,2.234883716,1.889669448,1.340185499,0.75850127,2.006267786,1.710601517,1.412034298,1.227263592,0.965568703,0.726507286,0.565128153,0.240139065,3.829980329,3.251854843,2.90459278,2.691703552,2.292558433,1.953149486,1.445821903,0.883777186,1.97443186,1.639705692,1.32781418,1.136417638,0.87290032,0.612049312,0.428152823,0.072631299,3.880091584,3.398190817,3.053912906,2.846072253,2.53167785,2.217278931,1.870238796,1.399057605,1.890643507,1.427541901,1.085638563,0.879151351,0.57626893,0.267126996,0.053223591,0.50844395,3.838088528,3.276213992,2.928356597,2.716225378,2.334353227,1.99914596,1.521627788,0.975638144,1.955124687,1.594151037,1.27433313,1.07898983,0.812166755,0.5389367,0.334430502,0.041057697,3.906201246,3.469773035,3.132187444,2.927963742,2.638638551,2.337477957,2.052299642,1.618810207,1.86698076,1.360959524,1.014474106,0.80514139,0.473546112,0.152706351,0.230817901,0.723384753,3.8581751,3.256562575,3.000596054,2.7686361,2.408075963,2.048039893,1.569203744,1.102522614,1.946184151,1.581274313,1.175416239,1.019577854,0.71243611,0.470254806,0.251444496,0.179263047,0,0,0,4,2,2,2,0,0,0,0,0,0.083333333,0.142258898,0,0,0,0.027777778,0.047419633,0.402368927,0,0.11785113,0,0.24639964,0,0.058925565,0,1.020220057,1.359475708,1.589255651,0.560810726,0.664090454,0.684878051,7.397341225,4.842535255,3.810495725,2.948584704,2.192705341,1.561834874,0.601007552,0.273353247,0.739734123,0.484253526,0.31754131,0.210613193,0.146180356,0.104122325,0.075125944,0.054670649,6.723614639,3.888010441,2.676484623,1.7805929,1.15992621,0.713920452,0.236452494,0.099253672,0.672361464,0.388801044,0.223040385,0.127185207,0.077328414,0.047594697,0.029556562,0.019850734,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.66712,44.077,43.99698258,63.66189698,87.99396516,8.799396516,43.99698258,0.07820127,0.007820127,-2.548469389,51.36653868,5.136653868,3.938986962,90,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,4,0,0,0,0,0,0,0,0,2,0,2,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.49111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.59038407,0,0.899893707,0,0,1.59038407,0,0,0,0,0,0,0,0,4.386342593,0,2.45587963,0,0,8.579675926,0,0,0,0,2.911435185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.420694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.25461593,0,0,0.380972222,0,0,0,0,0,0,0,0,2.17162037,0,1.214953704,0,0,2.091759259,0,0,0,0,1.420694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.207175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.412328515,0,0.359305556,0,0,0.412328515,0,0,0,0,0,0,0,0,2.214722222,0,1.240925926,0,0,2.207175926,0,0,0,0,1.490740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.33333333,1.833333333,0.412328515,2.214722222,0.116319444,1.214953704,6.22624412,0.285046296,0.214722222,1.932037037,0.285046296,0.214722222,1.932037037,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.78841,0.67884,11.53787,4.74946,0.47495,2.80382,0.28038,4.84252,2.0387,0.20387,0.07148,0.00715,0.15748,0.01575,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.450825795,3.522055209,3.772055209,3.938721876,4.022055209,23.51685016,58.81981907,84.52932501,90.52932501,94.52932501,96.52932501,0.213713581,0.534535625,0.768175358,0.822701431,0.859052146,0.877227504,3.605093744,2.134136706,1.062907292,0.812907292,0.646240625,0.562907292,0.206076118,0.515432972,0.740723142,0.793300621,0.828352274,0.845878101,6.772325919,18.88939319,22.71704875,23.88501959,24.96900501,25.05299043,37.92632204,25.4957267,19.21566459,17.3948625,15.88696771,15.67155417,8.1,4,2.285714286,3,6,3,2.56,1.28,0.2,3.783322213,1.807204007,0,6.631975708,6.447419591,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.894,12,14,15,15,8,5,3,1,0,93,2.63905733,3.113515309,3.576550269,3.986666548,4.376542876,3.876395828,3.523599363,3.168897455,2.151035195,0,5.775230663,3.453965054,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,0,3,6,1,1.5,1.111111111,0.5,0.342222222,0.090277778,0.04,0,0,0,0,0.15,0.092592593,0.045454545,0.048888889,0.022569444,0.04,0,0,0,0,0.399505471,25.05404507,36.52774608,50.10809014,5.010809014,25.05404507,0.163926116,0.016392612,-1.808339466,78.23766948,7.823766948,4.359751238,0,150.3504702,4.321928095,3.80666249,4.574710979,5.370638028,6.163314804,6.965080346,7.764296006,8.566935283,9.368113056,10.17080109,82.75055208,3.044522438,0,4.234106505,0,5.65248918,0,7.177018766,0,8.74687532,8.984818996,134.1095504,5.587897935,19.5566863,1.95566863,0,0,0,121,11,3.899,44,1.235929323,2.15592806,2.978978431,3.776351665,4.526701346,5.091413778,5.854687643,7.865256659,0,0,92.76161773,112.8305355,121.9935193,112.8730644,92.43717631,59.08207985,20.6553927,7.991604142,0,0,323.5789178,429.9196926,503.3917417,542.6483259,506.3503709,443.0336517,292.9090023,244.4816279,0,0,9.045833162,15.49612991,21.23150112,26.79414207,31.70393829,35.37931526,39.8638034,52.84244372,0,0,2.362509317,3.316419763,4.048091576,4.62145036,4.59398452,4.400338242,3.490070162,3.496994611,0,0,173.7497847,323.1334496,459.1018046,589.224458,737.3719024,849.3745013,1040.474906,1454.424794,0,0,3.104139972,4.555211549,5.882965407,7.120382494,7.699277022,8.113371755,7.180683815,7.865256659,0,0,0.486472119,0.690619145,0.849651637,0.979191323,0.984976337,0.956950737,0.781977088,0.805402282,0,0,288.736974,148.8811689,11.11913595,99.94381434,-51.53393311,-5.327924753,188.7931597,200.415102,16.4470607,0.742864023,0.383042263,0.028607372,0.257135977,-0.132586777,-0.013707713,112.2265147,57.86725011,4.321794527,38.84624055,-20.03024975,-2.070861993,0.12031327,0.126021042,2.930395144,1.093840944,388.6807883,0,1,0,729.0594248,27.00110044,9.00024454,865.5271791,29.41984329,9.530014688,1273.962702,35.69261411,10.84057299,1.601961449,1.601961449,699.4996104,559.6571406,187.4700188,1.24987168,3.731261217,2.985315435,4.429250776,4.443439901,7.963231373,0.792132121,4.231360714,4.770792545,3.931231765,13.62715464,4.656274719,6.718748045,6.371672204,11.42413787,6.718750154,2.976986439,4.997391003,2.07491926,1.732791107,1.271591476,1.718141754,4.99E-13,2.93E-47,3.44E-103,8.03E-181,3.70E-280,0,0,0,0,0,0,0,0,0,0,0.355218392,4.768841843,0.290316793,5.68381596,1.792421396,1.291054194,0.659700934,1.820761016,0.643802611,0.168186277,1.119355802,0.32148526,0.082699695,0.068488127,0.012101013,3.52E-15,2.06E-49,2.42E-105,5.65E-183,2.61E-282,0,0,0,0,0,0,0,0,0,0,1.146421676,4.768972648,0.962633172,6.542438476,2.00772927,2.009844408,1.781383476,3.445756274,1.392086082,0.555711701,1.757334407,0.602325408,0.308293652,0.246277366,0.126101884,3.67E-14,2.15E-48,2.52E-104,5.89E-182,2.72E-281,0,0,0,0,0,0,0,0,0,0,3.994066058,4.770578536,3.683265398,12.87102204,4.350317718,6.248811523,6.006334323,10.7176226,6.172883893,2.739300081,4.705637963,1.940309373,1.592426015,1.173956564,1.53083337,4.45E-13,2.61E-47,3.06E-103,7.15E-181,3.30E-280,0,0,0,0,0,0,0,0,0,0,1.689557927,4.76914183,1.44520065,7.358341757,2.26517399,2.61880849,2.564522881,4.660809822,2.051767854,0.87690676,2.240897021,0.817997969,0.4961818,0.3884523,0.273910142,7.96E-14,4.66E-48,5.48E-104,1.28E-181,5.91E-281,0,0,0,0,0,0,0,0,0,0,5.109956015,4.771692323,4.87780717,16.73316441,5.937420824,8.615010641,7.742129119,14.17471119,8.937368378,3.931667634,6.13932302,2.604277482,2.297176196,1.660319128,2.505748275,7.28E-13,4.27E-47,5.01E-103,1.17E-180,5.40E-280,0,0,0,0,0,0,0,0,0,0,2.351929816,4.17223684,1.982031101,8.037011295,2.339222792,3.149749966,3.60038266,6.125392983,2.893473407,1.255698939,3.021217193,1.190408907,0.788354275,0.608710575,0.511182671,1.49E-13,8.71E-48,1.02E-103,2.39E-181,1.10E-280,0,0,0,0,0,0,0,0,0,0,5.135780444,2.021819088,0.464666531,0.673786562,0.265251707,0.489277819,0.449268244,0.386340818,7.622266064,13.70951588,26.15670214,0.510679843,1.324886881,4.176456555,1.225645965,0.177713613,0.74849358,0.219657052,0.323943172,0.167393477,0.056664552,5.579816133,6.07888428,12.56839101,0.622740371,0.548001201,4.516170387,1.50938266,0.279698508,0.716255386,0.239385003,0.378453587,0.252766399,0.140225985,6.305251555,8.501967469,16.71382006,0.574383079,0.77144597,5.107387529,1.998471671,0.456217719,0.675394813,0.264275502,0.483873781,0.439157482,0.372449133,7.56207692,13.44878817,25.66746534,0.51309222,1.295480396,4.683754934,1.648604546,0.329853422,0.703032912,0.247455999,0.406965944,0.300829321,0.19493257,6.662212902,9.81041012,19.01963889,0.554549367,0.902727835,5.226527889,2.096358062,0.491653597,0.668820966,0.268263798,0.506761364,0.482274509,0.432409106,7.814539548,14.5569971,27.75842477,0.503231449,1.42144498,5.119292638,2.001994794,0.455436324,0.675660457,0.264229614,0.486121031,0.440867898,0.371236826,7.576723756,13.49209018,25.73648847,0.513490686,1.298225754 +UMLS0180,L,1-methyl-2-n-propylbenzene,CCCC1=CC=CC=C1C,14091,,"Sandia, UML",[1],C10H14,PubChem,,8.1,0,1.4799,2.19010401,47.6934,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2005.6539,1805.93953,1331.831263,889.894324,489.439778,132.247584,12.192768,4670.34144,5841.481647,7855.078337,7935.535825,6423.624866,4873.320461,3158.674193,1489.287352,373.0049332,169.463656,175.052008,300.821808,362.438056,358.375228,275.287504,249.496328,145.079424,80.621568,34.11358067,43.47862034,61.52167806,65.51713985,55.80855294,43.4403368,30.72860984,16.02618505,5.335354858,3856.790689,3411.659229,6369.569539,7927.509269,8229.059574,6184.417637,6063.862316,3565.319649,2219.011824,48.05555556,58.41666667,86.44444444,99,87.66666667,70.16666667,54,31,12,60.70275442,67.17251842,47.75366429,35.41057902,26.11433849,22.81780318,13.59554939,6.297504,1.016064,194.59756,243.3950686,187.0256747,155.5987417,125.9534287,124.9569349,87.74094981,70.91844535,31.08374443,7.060985667,7.293833667,7.162424,7.106628549,7.026965255,7.058653949,6.930453556,6.908544,6.718464,1.421399194,1.811609181,1.464801859,1.284649801,1.094285352,1.11385479,0.853572496,0.763151669,0.444612905,160.6996121,142.1524679,151.6564176,155.4413582,161.3541093,158.5748112,168.4406199,169.7771262,184.917652,2.002314815,2.434027778,2.058201058,1.941176471,1.718954248,1.799145299,1.5,1.476190476,1,0.050409278,-3.78E-04,-0.009965724,-0.020913507,0.003068646,-0.010824436,0.008042247,-0.004252593,0.010018581,706.2183858,-4.97E-14,15.13325112,-189.1656391,-47.9219619,-360.6758185,40.35533633,-63.05521302,252.2208521,1313.243245,2.42E-13,28.14092668,-351.7615835,-89.11293449,-670.6920859,75.04247115,-117.2538612,469.0154447,0.138343333,2.24E-15,0.0029645,-0.03705625,-0.009387583,-0.070653917,0.007905333,-0.012352083,0.049408333,5.870808328,1.34E-14,0.125803036,-1.572537945,-0.398376279,-2.998305682,0.335474762,-0.524179315,2.09671726,31.89032402,-1.08E-13,0.683364086,-8.542051076,-2.163986273,-16.28684405,1.822304229,-2.847350359,11.38940143,4.49537037,-0.412037037,1.232638889,-1.76099537,-0.071180556,-2.527199074,0.784722222,-0.940393519,1.446759259,0.002100387,-1.57E-05,-2.37E-04,-4.10E-04,6.02E-05,-2.78E-04,2.23E-04,-2.03E-04,8.35E-04,29.42576608,-2.07E-15,0.360315503,-3.709130178,-0.939646312,-9.24809791,1.120981565,-3.002629191,21.01840434,54.71846854,1.01E-14,0.670022064,-6.897285951,-1.747312441,-17.19723297,2.084513087,-5.583517198,39.08462039,0.005764306,9.34E-17,7.06E-05,-7.27E-04,-1.84E-04,-0.001811639,2.20E-04,-5.88E-04,0.004117361,0.244617014,5.57E-16,0.00299531,-0.030834077,-0.0078113,-0.076879633,0.009318743,-0.02496092,0.174726438,1.328763501,-4.51E-15,0.016270573,-0.167491198,-0.042431103,-0.417611386,0.050619562,-0.135588112,0.949116786,0.187307099,-0.01716821,0.029348545,-0.034529321,-0.001395697,-0.064799976,0.02179784,-0.044780644,0.120563272,-0.007495694,-0.112969274,-0.195234904,0.028646882,-0.132142174,0.106359355,-0.096412923,0.397489558,-7.04E-17,0.012244898,-0.12605042,-0.031932773,-0.314285714,0.038095238,-0.102040816,0.714285714,1.84E-16,0.012244898,-0.12605042,-0.031932773,-0.314285714,0.038095238,-0.102040816,0.714285714,1.62E-14,0.012244898,-0.12605042,-0.031932773,-0.314285714,0.038095238,-0.102040816,0.714285714,2.28E-15,0.012244898,-0.12605042,-0.031932773,-0.314285714,0.038095238,-0.102040816,0.714285714,-3.40E-15,0.012244898,-0.12605042,-0.031932773,-0.314285714,0.038095238,-0.102040816,0.714285714,-0.091658084,0.156686774,-0.184346035,-0.007451384,-0.345955795,0.116374871,-0.239076063,0.643666323,1.102052993,1.067501458,1.172877071,1.00503373,1.159428199,0.802651878,0.878078252,0.090783787,1.15,1.032653061,1.121008403,0.966386555,1.263736264,0.821428571,0.93877551,0,1.15,1.032653061,1.121008403,0.966386555,1.263736264,0.821428571,0.93877551,0,1.15,1.032653061,1.121008403,0.966386555,1.263736264,0.821428571,0.93877551,0,1.15,1.032653061,1.121008403,0.966386555,1.263736264,0.821428571,0.93877551,0,1.15,1.032653061,1.121008403,0.966386555,1.263736264,0.821428571,0.93877551,0,1.261328527,0.776592614,1.216393045,0.901496335,1.361086905,0.734294542,1.218184493,0,42.49716564,21.24858282,31.97869994,42.49716564,4.249716564,21.24858282,1.78E-14,0.313642186,0.031364219,-1.159502477,64.28373734,6.428373734,4.163306681,42.49716564,21.24858282,31.97869994,42.49716564,4.249716564,21.24858282,1.78E-14,0.313642186,0.031364219,-1.159502477,64.28373734,6.428373734,4.163306681,42.49716564,21.24858282,31.97869994,42.49716564,4.249716564,21.24858282,1.78E-14,0.313642186,0.031364219,-1.159502477,64.28373734,6.428373734,4.163306681,42.49716564,21.24858282,31.97869994,42.49716564,4.249716564,21.24858282,1.78E-14,0.313642186,0.031364219,-1.159502477,64.28373734,6.428373734,4.163306681,42.49716564,21.24858282,31.97869994,42.49716564,4.249716564,21.24858282,1.78E-14,0.313642186,0.031364219,-1.159502477,64.28373734,6.428373734,4.163306681,42.49716564,21.24858282,31.97869994,42.49716564,4.249716564,21.24858282,1.78E-14,0.313642186,0.031364219,-1.159502477,64.28373734,6.428373734,4.163306681,49.50098803,24.57234549,38.10214282,49.41432136,4.941432136,24.57234549,-0.144444444,0.453533467,0.045353347,-0.790686214,45.49125606,4.549125606,3.817520133,0,11.89,12.11015511,-0.155069713,0.065325025,5.326588782,8.758382099,10,24,21,18,4,3,0,0,0,6,15.304898,3.814766835,3.242334367,2.859922939,2.657092701,2.115275973,2.025460251,1.358286674,0.857818992,2.004274413,1.721102684,1.407326514,1.21059506,0.908357655,0.801969161,0.614315438,0.273185193,3.825848498,3.273766864,2.892461142,2.688875318,2.17812496,2.085055627,1.464356041,0.975480083,1.972238224,1.651158414,1.322784657,1.121493865,0.809194317,0.699835244,0.468185024,0.109557299,3.876865854,3.414866218,3.045795676,2.839198792,2.438749282,2.333788795,1.892593939,1.459575848,1.887572754,1.443384161,1.07810951,0.871291461,0.487371345,0.380698576,0.029629251,0.452146252,3.834123885,3.297114901,2.917023111,2.712843487,2.223663621,2.128304409,1.540569529,1.060893055,1.952777988,1.606336218,1.268986377,1.065411919,0.743750697,0.63345123,0.36959266,0.001136236,3.903338781,3.48452479,3.125388314,2.918630781,2.555350394,2.446732324,2.078035059,1.669891306,1.863546069,1.378787887,1.005510081,0.79945011,0.375364562,0.272950348,0.209778263,0.656663852,3.858051735,3.269802709,2.98306771,2.768626534,2.302175771,2.191847822,1.585464726,1.18481183,1.936701926,1.600592235,1.185238105,0.992601746,0.654887141,0.541300548,0.288382626,0.137566034,0,0,0,4,2,2,2,0,0,0,0,0,0.083333333,0.142258898,0,0,0,0.027777778,0.047419633,0.49279928,0,0,0,0.284517797,0,0,0,0.777317077,1.214203801,1.302192015,0.389858658,0.550069345,0.516687165,7.397341225,4.825698503,3.926478174,2.741921546,2.230162819,1.467804161,0.788948797,0.260110029,0.739734123,0.48256985,0.327206515,0.210917042,0.148677521,0.097853611,0.07889488,0.052022006,6.723614639,3.882027377,2.739052883,1.621159417,1.15632585,0.648383183,0.338920452,0.099946561,0.672361464,0.388202738,0.228254407,0.124704571,0.07708839,0.043225546,0.033892045,0.019989312,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.66712,44.077,43.41608314,61.65545589,86.83216628,8.683216628,43.41608314,0.08055398,0.008055398,-2.518827754,51.73092445,5.173092445,3.946055754,92,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,4,0,0,0,0,0,0,0,0,2,0,2,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.53509259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.557397959,0,0.899893707,0,0,1.557397959,0,0,0,0,0,0,0,0,4.348703704,0,2.449537037,0,0,8.707824074,0,0,0,0,2.827268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.36662037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368819444,0,0.25461593,0,0,0.368819444,0,0,0,0,0,0,0,0,2.138055556,0,1.21,0,0,2.125324074,0,0,0,0,1.36662037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.253472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401805556,0,0.359305556,0,0,0.401805556,0,0,0,0,0,0,0,0,2.210648148,0,1.239537037,0,0,2.253472222,0,0,0,0,1.460648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.33333333,1.833333333,0.401805556,2.253472222,0.128472222,1.21,6.228409954,0.300046296,0.253472222,2.113055556,0.300046296,0.253472222,2.113055556,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.67225,0.66722,11.45289,4.78064,0.47806,2.8029,0.28029,4.82569,2.02278,0.20228,0.08831,0.00883,0.17431,0.01743,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.450825795,3.605388542,3.938721876,3.938721876,3.819773835,23.51685016,58.81981907,86.52932501,94.52932501,94.52932501,91.67457204,0.213713581,0.534535625,0.786350715,0.859052146,0.859052146,0.833109068,3.605093744,2.134136706,0.979573959,0.646240625,0.646240625,0.765188666,0.206076118,0.515432972,0.758248968,0.828352274,0.828352274,0.803336321,6.772325919,18.88939319,23.71704875,24.96900501,24.05299043,24.8491262,37.92632204,25.4957267,17.92318334,15.88696771,16.96403542,16.30638792,8.1,4,2.650887574,3,6,3,2.56,1.28,0.166666667,3.820639317,1.54438958,0,6.631975708,6.83080311,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.894,12,13,15,15,10,5,3,0,0,93,2.63905733,3.113515309,3.533686565,4.000491653,4.385925275,4.017508513,3.446011397,3.056356895,0,0,5.758507374,3.396505376,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,0,3,6,1,2,0.666666667,0.5,0.342222222,0.145833333,0.04,0,0,0,0,0.2,0.055555556,0.05,0.048888889,0.036458333,0.02,0,0,0,0,0.410902778,25.67725691,38.24716212,51.35451383,5.135451383,25.67725691,0.148319865,0.014831986,-1.90838409,72.98542395,7.298542395,4.290259749,0,150.3504702,4.321928095,3.80666249,4.553876892,5.351858133,6.120297419,6.926577033,7.700295203,8.508555998,9.283683766,10.09249504,82.34430198,3.044522438,0,4.234106505,0,5.631211782,0,7.126890809,0,8.667507952,8.913415718,134.1095504,5.587897935,19.55769021,1.955769021,0,0,0,124,10,3.899,44,1.235929323,2.155869164,2.983866796,3.763475769,4.816253605,5.635897009,6.455496352,7.474539625,0,0,92.76161773,113.0710352,115.1278472,113.0020691,119.7737729,84.27610833,43.43898196,7.59461063,0,0,323.5789178,430.4765204,490.6137046,519.4153439,631.421459,518.9299251,478.8228611,232.3366794,0,0,9.045833162,15.49648256,21.26202916,26.56218394,34.06893401,39.12506725,44.69833009,50.21742539,0,0,2.362509317,3.319412036,3.991742478,4.405562361,5.549473217,4.967598417,5.094522357,3.323276775,0,0,173.7497847,323.0763772,459.7742719,598.6848028,758.4284593,944.4331279,1088.010401,1382.174317,0,0,3.095675909,4.599593519,5.945328211,6.768949642,8.860490868,8.647323656,9.780688373,7.474539625,0,0,0.486472119,0.691193636,0.839364596,0.933873356,1.181863742,1.075515097,1.118589249,0.765392858,0,0,302.1429353,155.9370964,10.94467685,97.86820334,-50.51014497,-5.116722806,204.2747319,206.4472414,16.06139966,0.755336305,0.389831886,0.02736093,0.244663695,-0.126271846,-0.012791451,120.8605396,62.3765755,4.37799265,39.14837145,-20.2046206,-2.046746115,0.120694452,0.125905343,1.420444519,1.116594015,400.0111386,0,1,0,729.0594248,27.00110044,9.00024454,865.5271791,29.41984329,9.530014688,1245.533283,35.29211361,10.75932714,1.821609901,1.610641275,794.7693573,645.2088844,193.8565622,1.231801633,4.09978052,3.328279823,4.65901067,4.443439901,8.324686172,0.873477837,4.231360714,4.769035699,4.160500844,12.80965691,3.808036431,6.378000755,4.975544786,7.32883931,7.34905309,3.616833884,6.859663562,3.474849136,4.039507719,1.838632156,2.511069357,0.04625925,1.56E-20,1.02E-60,1.28E-122,3.11E-206,1.452891844506E-311,0,0,0,0,0,0,0,0,0,0.355218392,4.768829469,0.319009219,5.750554117,0.962040816,1.266083907,0.510738791,1.558253963,0.798615174,0.312287553,1.134441407,0.499675227,0.164550812,0.112001209,0.01768574,3.26E-04,1.10E-22,7.18E-63,9.02E-125,2.19E-208,1.0232836057E-313,0,0,0,0,0,0,0,0,0,1.146421676,4.768843705,1.04902799,6.476016945,1.247219829,1.791983338,1.418773838,2.545344709,1.660361564,0.957278992,1.899074617,0.902324822,0.646141263,0.389427844,0.184298472,0.003395167,1.15E-21,7.48E-62,9.40E-124,2.28E-207,1.06634041272E-312,0,0,0,0,0,0,0,0,0,3.994066058,4.769013218,3.906184599,12.12440099,3.52918029,5.881960193,4.701035565,6.908066396,6.779881264,3.404082743,6.366245381,3.220313853,3.69284047,1.706391029,2.237317639,0.041216159,1.39E-20,9.08E-61,1.14E-122,2.77E-206,1.2945004762545E-311,0,0,0,0,0,0,0,0,0,1.689557927,4.76886175,1.566229835,7.18645651,1.53080039,2.306668648,2.0430993,3.279606628,2.393061029,1.408815517,2.543929294,1.239495026,1.068596623,0.602146201,0.400320728,0.007374757,2.49E-21,1.62E-61,2.04E-123,4.95E-207,2.316233867897E-312,0,0,0,0,0,0,0,0,0,5.109956015,4.769130128,5.123854731,15.63423025,4.959310547,8.422503667,5.993265266,8.96341526,9.647371764,4.416419863,8.848848675,4.499480386,5.44732727,2.358393451,3.662158425,0.067464768,2.28E-20,1.49E-60,1.87E-122,4.53E-206,2.118906210151E-311,0,0,0,0,0,0,0,0,0,2.351936401,4.100009656,2.11112007,8.037361666,1.773666642,2.959801367,2.662393095,4.105597851,3.106323847,1.850810644,3.426158918,1.809702809,1.728529764,0.930354332,0.747095298,0.013763083,4.65E-21,3.03E-61,3.81E-123,9.24E-207,4.32265342167E-312,0,0,0,0,0,0,0,0,0,6.363622297,2.028648788,0.444954777,0.720092753,0.229557196,0.57154898,0.427557773,0.339544547,8.837225863,16.64373577,31.22512965,0.580139129,1.3386513,4.735227222,1.305925071,0.165660148,0.762908057,0.21040189,0.317621759,0.175595379,0.046784403,6.206812441,7.18463013,14.4158604,0.644362086,0.540001541,5.310073826,1.565997711,0.265008639,0.743595324,0.219294235,0.398403895,0.254492535,0.120069438,7.141080176,10.13778182,19.48255815,0.615392986,0.772965868,6.315252395,2.007716932,0.436740642,0.720943093,0.229199019,0.562885633,0.418857067,0.327090888,8.759709968,16.31421813,30.61146715,0.581414639,1.308833588,5.5945177,1.692454424,0.313828462,0.736043215,0.222667916,0.441943199,0.297729993,0.168561478,7.600800586,11.75532548,22.32760026,0.604064823,0.90823467,6.518259375,2.095400665,0.471189398,0.717486781,0.230647814,0.599707525,0.455842577,0.380878913,9.084849438,17.71703031,33.23755655,0.576230171,1.436429015,6.321961652,2.012337079,0.435982605,0.720839094,0.229449547,0.564082533,0.420800046,0.326023315,8.770281336,16.35552712,30.67234333,0.581258641,1.310905894 +UMLS0181,L,1-methyl-3-n-propylbenzene,CCCC1=CC=CC(=C1)C,14092,Sandia values from independent api report ,Sandia,,C10H14,PubChem,,1.8,0,1.3695,1.87553025,43.3169,28.268688,0,0,26,10,16,0,10,0,0,0,0,0,0,0,0,0,1458.898234,1780.618739,2633.170864,2478.841525,1314.824957,317.073456,26.417664,0,0,4732.508928,6494.471781,10070.2599,11438.65137,8514.483661,3820.124465,808.1773552,0,0,182.900584,196.827788,372.891328,513.975316,606.978356,419.007168,174.680064,0,0,35.00280648,48.49460896,78.02068111,95.26550024,81.17360283,42.50680951,11.55993553,0,0,4226.625993,3844.69868,7859.072458,11000.50799,14334.64445,10548.68937,4807.858953,0,0,47.64583333,55.97222222,88.86111111,129.0972222,136.8333333,86.66666667,26,0,0,56.11147054,65.94884219,50.63790123,34.42835451,15.11293054,5.197925508,1.016064,0,0,182.0195742,240.5359919,193.6588442,158.8701579,97.86762829,62.62499123,31.08374443,0,0,7.034637846,7.289918074,7.170987077,7.138546056,6.976762713,6.868969967,6.718464,0,0,1.346261788,1.796096628,1.500397714,1.323131948,0.933029918,0.696832943,0.444612905,0,0,162.5625382,142.3962474,151.1360088,152.7848332,164.7660281,172.929334,184.917652,0,0,1.832532051,2.073045267,1.708867521,1.793016975,1.572796935,1.420765027,1,0,0,0.045202577,-0.007299809,0.003546735,-0.015517285,-0.017691785,-0.012756663,0.027117519,0,0,745.0215938,45.8474827,167.6298586,-628.9701533,-444.1474886,21.49100751,465.6384962,0,0,1385.399467,85.25535183,311.7148801,-1169.596858,-825.9112209,39.96344617,865.8746671,0,0,0.145944615,0.008981207,0.032837538,-0.123210935,-0.087005444,0.004209941,0.091215385,0,0,6.193380214,0.38113109,1.393510548,-5.228642143,-3.692207436,0.178655198,3.870862634,0,0,33.64253962,2.070310131,7.569571415,-28.4020671,-20.05612939,0.970457874,21.02658726,0,0,5.549412393,-1.68299022,1.169070513,-1.816855687,0.091335881,-2.465020957,1.929754274,0,0,0.001738561,-2.70E-04,6.82E-05,-2.16E-04,-2.03E-04,-2.09E-04,0.001042981,0,0,28.65467669,1.698054915,3.223651127,-8.735696573,-5.105143548,0.352311599,17.90917293,0,0,53.2845949,3.157605624,5.994516926,-16.24440081,-9.493232424,0.655138462,33.30287181,0,0,0.005613254,3.33E-04,6.31E-04,-0.001711263,-0.001000063,6.90E-05,0.003508284,0,0,0.238206931,0.014115966,0.02679828,-0.07262003,-0.042439166,0.002928774,0.148879332,0,0,1.293943832,0.076678153,0.145568681,-0.394473154,-0.230530223,0.015909145,0.808714895,0,0,0.213438938,-0.062332971,0.022482125,-0.025234107,0.001049838,-0.04041018,0.074221318,0,0,-0.15550985,0.039231553,-0.123963375,-0.116966783,-0.120286643,0.599910906,0,0,0.059259259,0.1125,-0.304861111,-0.17816092,0.012295082,0.625,0,0,0.059259259,0.1125,-0.304861111,-0.17816092,0.012295082,0.625,0,0,0.059259259,0.1125,-0.304861111,-0.17816092,0.012295082,0.625,0,0,0.059259259,0.1125,-0.304861111,-0.17816092,0.012295082,0.625,0,0,0.059259259,0.1125,-0.304861111,-0.17816092,0.012295082,0.625,0,0,-0.292041235,0.10533282,-0.118226351,0.004918679,-0.189328995,0.34774029,0,0,1.351453543,0.869884799,1.130703043,1.09055411,1.041687169,0.132500033,0,0,1.203703704,1.015625,1.382378472,1.073994253,0.765881148,0,0,0,1.203703704,1.015625,1.382378472,1.073994253,0.765881148,0,0,0,1.203703704,1.015625,1.382378472,1.073994253,0.765881148,0,0,0,1.203703704,1.015625,1.382378472,1.073994253,0.765881148,0,0,0,1.203703704,1.015625,1.382378472,1.073994253,0.765881148,0,0,0,1.573499186,0.535147038,1.164916601,0.986723272,1.392933706,0,0,0,40.88795188,19.88347645,27.62711587,40.88795188,4.088795188,19.88347646,-7.11E-15,0.025365077,0.002536508,-3.674381957,158.4165045,15.84165045,5.065227669,40.88795188,19.88347645,27.62711587,40.88795188,4.088795188,19.88347646,-7.11E-15,0.025365077,0.002536508,-3.674381957,158.4165045,15.84165045,5.065227669,40.88795188,19.88347645,27.62711587,40.88795188,4.088795188,19.88347646,-7.11E-15,0.025365077,0.002536508,-3.674381957,158.4165045,15.84165045,5.065227669,40.88795188,19.88347645,27.62711587,40.88795188,4.088795188,19.88347646,-7.11E-15,0.025365077,0.002536508,-3.674381957,158.4165045,15.84165045,5.065227669,40.88795188,19.88347645,27.62711587,40.88795188,4.088795188,19.88347646,-7.11E-15,0.025365077,0.002536508,-3.674381957,158.4165045,15.84165045,5.065227669,40.88795188,19.88347645,27.62711587,40.88795188,4.088795188,19.88347646,-7.11E-15,0.025365077,0.002536508,-3.674381957,158.4165045,15.84165045,5.065227669,59.3372891,27.69466822,39.47161851,59.07784466,5.907784466,27.69466822,-0.648611111,0.081284784,0.008128478,-2.509796442,79.84827032,7.984827032,4.380128213,0,11.9,12.10017173,-0.129562635,0.072551886,6.440054204,9.812010106,11,27,26,26,10,1,1,0,0,1,17.491312,3.888198681,3.171405933,2.816229375,2.607985764,2.333552793,1.888076085,1.456637094,1.188528092,2.122359773,1.606522506,1.351545987,1.285360496,1.249629723,0.810443177,0.56697733,0.444919545,3.902897642,3.197031354,2.851626796,2.655883624,2.405454588,1.952895393,1.543726574,1.291733304,2.085478294,1.537069639,1.272965803,1.192962473,1.134540686,0.686875279,0.430016902,0.295560373,3.969059753,3.316995691,3.009510993,2.86491865,2.704236987,2.239619494,1.90897946,1.714805433,1.982613349,1.342282775,1.04129169,0.905941121,0.76031856,0.296059273,0.022475196,0.207442483,3.913800811,3.216311771,2.877855352,2.691159201,2.457539916,2.000951171,1.607146834,1.366321189,2.062524406,1.493537305,1.222847565,1.132709149,1.058262671,0.605648329,0.338637319,0.195238561,4.002352879,3.379392349,3.087107237,2.964400111,2.838982085,2.376338979,2.07342931,1.900581295,1.952034235,1.285515688,0.969260316,0.812427586,0.631337262,0.167362171,0.180254075,0.387145339,3.873151655,3.398506981,2.970412149,2.690979452,2.634654398,2.111823986,1.640665901,1.415179689,2.141314748,1.418422308,1.086602869,1.07810206,0.878556837,0.433128679,0.253355672,0.100946856,0,0,1,0,1,2,3,2,1,0,0.11785113,0.387076975,0.759946456,1.178528219,0,0.11785113,0.377961159,0.686886724,0.959200637,1.40857456,0.166666667,0.648271461,0.151374715,1.30142081,0.166666667,0.581948473,0.142258898,3.260153798,4.31544863,4.893089478,2.930493096,3.583407348,3.764093265,7.353371151,4.621027034,4.915120116,4.203665235,3.059150443,2.048616017,1.145707649,0.340206909,0.735337115,0.420093367,0.273062229,0.168146609,0.109255373,0.068287201,0.05207762,0.034020691,6.983127663,4.297877056,4.503502173,3.777239609,2.61466402,1.685056171,0.87228213,0.277368927,0.698312766,0.390716096,0.250194565,0.151089584,0.093380858,0.056168539,0.039649188,0.027736893,14.33462243,25.10269483,23.80392157,24.08,16.38843593,197.7114299,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,2.92489,43.482,47.52016661,65.02412399,95.04033322,9.504033322,47.52016661,0.004736954,4.74E-04,-5.352360875,61.98482058,6.198482058,4.126889526,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,7,2,0,1,0,0,0,0,0,0,0,0,2,1,3,0,0,0,2,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.649560185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.317569444,0,0,0,1.744236111,0.580555556,0,0.317569444,0,0,0,0,0,0,0,0,4.797962963,4.128726852,4.145763889,0,0,0,1.883564815,0,0,1.520833333,0,0,0.606481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.520833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.317569444,0,0,0,0.225625,0.290277778,0,0.317569444,0,0,0,0,0,0,0,0,2.398981481,4.128726852,1.304328704,0,0,0,0.866898148,0,0,1.520833333,0,0,0.606481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.128726852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.317569444,0,0,0,0.290277778,0.290277778,0,0.317569444,0,0,0,0,0,0,0,0,2.398981481,4.128726852,1.436342593,0,0,0,1.016666667,0,0,1.520833333,0,0,0.606481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.08333333,1.708333333,0.317569444,4.128726852,-0.005208333,0.606481481,6.118578843,0.643518519,1.128726852,3.85337963,0.643518519,1.128726852,3.85337963,5,0.5,0,0,0.45385,0.7,0.44286,0.44286,0.7,0.01099,0.01099,0,0,0.71429,0,0,0.3,0.3,0.1,6.5,0.65,5.5,0.55,1,0.1,-4.5,-0.45,0,0,10.60825,1.06083,12.14436,1.5361,0.15361,4.13471,0.41347,4.62101,0.4863,0.04863,0.29299,0.0293,0.37899,0.0379,0.269230769,31,0,0,0,0,0,0,0.8,0.961236605,2.419556299,3.565448372,3.719294526,3.719294526,3.642371449,24.99215172,62.90846376,92.70165767,96.70165767,96.70165767,94.70165767,0.204499294,0.514751054,0.75853507,0.791265232,0.791265232,0.774900151,3.739203113,2.28088342,1.134991346,0.981145192,0.981145192,1.058068269,0.199951246,0.50330303,0.741665309,0.773667554,0.773667554,0.757666431,6.796774065,20.61971472,22.62012536,22.77517536,22.77517536,21.85209844,38.70844392,20.64166597,18.18462585,17.66141363,17.66141363,18.90777043,6.694214876,1.777777778,0.7168,0,2,0,2.56,1.2574,0.944940787,2.94389819,4.112265279,2.080083823,1.650963624,5.853800636,1.310370697,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0.003,0.163,0.175,0.286,0.54,4.478,18,25,28,30,22,10,2,0,0,156,2.564949357,3.044522438,3.36729583,3.526360525,3.610917913,3.433987204,2.564949357,1.609437912,0,0,5.225746674,1.185897436,0.25,1,0,1,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,3,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.181818182,0,3,4,0.333333333,3.5,2.222222222,1.75,0.444444444,0,0,0,0,0,0,0.318181818,0.138888889,0.134615385,0.088888889,0,0,0,0,0,0,0.680574981,20.89600423,28.8365718,42.91636531,4.291636531,20.89600423,0.051674335,0.005167434,-2.96279404,358.6273807,35.86273807,5.882283913,0,154.1669289,4.321928095,4.077537444,4.976733742,5.92157842,6.844815479,7.791109511,8.718500048,9.665293813,10.593555,11.5405309,91.12965436,3.135494216,0,4.634728988,0,6.385194399,0,8.219056661,0,10.08008442,10.25058175,136.1252005,5.235584635,19.92298566,1.992298566,0,0,0,102,13,4.222,58,1.264016187,2.185006382,2.992985573,3.602340471,4.197093939,4.840823288,0,0,0,0,95.30475175,120.9540957,106.530623,57.36225388,22.59575571,4.918586273,0,0,0,0,331.948938,451.1403146,486.1284799,362.2448691,268.7228258,150.4709139,0,0,0,0,9.252794688,15.72624326,21.39237564,25.16009076,28.85776923,32.52289699,0,0,0,0,2.421713796,3.444815873,4.027058839,3.424365624,2.971691664,2.152292504,0,0,0,0,177.6116207,326.177947,455.3147933,591.491418,723.5658219,895.1536762,0,0,0,0,2.650678783,3.867129783,5.456743441,5.777976313,6.037576353,4.840823288,0,0,0,0,0.498589105,0.716038848,0.84866296,0.738838396,0.65720764,0.495700305,0,0,0,0,325.8798931,157.9906053,10.56939806,75.16227699,-36.43960212,-4.469708355,250.7176161,194.4302075,15.03910641,0.81258261,0.393950106,0.02635483,0.18741739,-0.09086227,-0.011145233,130.6915795,63.36089521,4.238774332,30.14324267,-14.61381711,-1.792541538,0.110246903,0.204545581,3.297375637,3.885340332,401.04217,0,1,0,721.9453912,26.8690415,8.970874535,877.3625931,29.62030711,9.573256707,1378.175469,37.12378575,11.12845409,1.173444072,1.173030058,415.2081053,361.2036539,242.4498459,1.149512473,1.712552564,1.489807727,3.910724996,3.656310633,6.387730674,0.747042666,4.625741201,8.933405245,6.859290288,24.72950424,12.13530283,16.37056508,16.35546422,11.54317222,6.614962842,4.202112817,1.584851724,0.283529216,5.24E-17,1.87E-54,1.29E-113,1.70E-194,4.36E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,0.388216818,8.039395789,1.764081032,8.957108964,1.672581651,2.200128388,1.699501749,1.260775907,0.131686993,0.150369211,0.011162606,0.001996919,3.69E-19,1.32E-56,9.05E-116,1.20E-196,3.07E-299,0,0,0,0,0,0,0,0,0,0,0,0,0,1.253185342,8.099135775,2.553498327,11.28192099,3.134055821,4.424759157,3.527852804,2.65310663,0.704088351,0.618701495,0.11632009,0.02080944,3.85E-18,1.37E-55,9.43E-115,1.25E-195,3.20E-298,0,0,0,0,0,0,0,0,0,0,0,0,0,4.366322802,8.835251016,6.458702922,23.44742486,11.25627635,15.26679525,15.04671974,10.66374594,5.952391806,3.827166505,1.412074606,0.252619427,4.67E-17,1.67E-54,1.15E-113,1.52E-194,3.89E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,1.846959279,8.176591351,3.169823868,13.14347763,4.337493072,6.150199144,5.128349512,3.818680092,1.320003505,1.046706824,0.252661879,0.045200885,8.36E-18,2.98E-55,2.05E-114,2.72E-195,6.95E-298,0,0,0,0,0,0,0,0,0,0,0,0,0,5.586250983,9.346130429,8.443154389,29.83583439,15.66074809,20.72559007,21.66840256,15.08308607,9.369812964,5.734457339,2.311356099,0.413500715,7.64E-17,2.73E-54,1.87E-113,2.49E-194,6.36E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,3.0030338,6.263551539,3.390867659,15.87054216,5.755120402,8.874552428,8.761098417,5.933466699,2.922152719,2.263479992,0.543056119,0.097152188,1.80E-17,6.40E-55,4.40E-114,5.84E-195,1.49E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,2.786428671,1.7330151,1.222243897,0.485297848,0.301830263,0.454750422,0.540554956,0.494316702,5.741687668,10.35278553,21.99659482,0.227946772,1.489622079,1.967446469,1.089583593,0.696230157,0.524196659,0.290303238,0.228614515,0.218116742,0.149539034,3.753260219,4.272093913,9.517860906,0.286294989,0.596270291,2.267096433,1.327313776,0.895032029,0.504983985,0.295652267,0.301636854,0.320718248,0.255395328,4.489442238,6.226260591,13.40898696,0.257475978,0.877750429,2.763418049,1.715143723,1.208121584,0.485945476,0.301607038,0.447244114,0.52964864,0.482421422,5.686683356,10.15030626,21.5630741,0.228918214,1.459314176,2.4110965,1.440409098,0.987710621,0.498241118,0.297653387,0.340690202,0.376235816,0.315062349,4.839216219,7.277138321,15.54663929,0.247361677,1.031988367,2.859467401,1.789696237,1.266873133,0.483341722,0.302516077,0.479022875,0.575904735,0.532795671,5.916036771,11.00747855,23.40683745,0.225012583,1.587723281,2.781477113,1.723479302,1.209281578,0.48676256,0.301611397,0.45279943,0.537926818,0.482354338,5.714237992,10.24157903,21.7528931,0.23014384,1.473080587 +UMLS0182,L,beta-pinene,CC1(C2CCC(=C)C1C2)C,14896,,UML,[1],C10H16,PubChem,,20.3,0,-0.7418,0.55026724,35.0592,29.602274,0,0,28,10,18,0,10,0,0,0,0,0,0,0,0,0,1460.930362,1804.832915,2487.89555,1768.783304,1533.753992,988.868836,226.227456,16.257024,0,4794.676417,6723.945014,10537.898,9921.256366,7844.11025,6111.649197,2830.465684,497.3399109,0,196.337512,211.063052,429.784952,623.679776,528.356384,419.169424,328.87296,107.495424,0,35.89203229,50.72169758,84.91618702,90.43355274,71.27495687,57.45972764,32.04432192,7.113806478,0,4596.461297,4150.943776,9073.119015,14466.51966,12698.49227,9845.1226,8367.325628,2958.682432,0,39.55555556,49.94444444,92.83333333,119.3333333,98.66666667,81,56,16,0,52.17608436,62.23561776,41.46492583,19.87396971,20.18097358,16.48114727,4.713072,1.016064,0,171.2384435,231.8601729,175.6316334,111.4747906,103.211977,101.86082,58.96803508,31.08374443,0,7.012054,7.278036276,7.163082533,7.007637933,6.952057684,6.986157067,6.85152,6.718464,0,1.281858296,1.749024054,1.415269784,1.016107334,0.93782838,0.957662127,0.66759004,0.444612905,0,164.159332,143.1359923,151.2186502,162.5451647,167.0854245,164.0853767,174.3192839,184.917652,0,1.412698413,1.722222222,1.547222222,1.34082397,1.298245614,1.35,1.166666667,1,0,0.036870922,9.44E-04,-0.012645419,-0.018677289,0.015109591,-0.014642116,3.20E-04,0.011156165,0,778.2814864,50.03238127,-232.2490785,-424.3487152,239.6612831,-318.7247992,49.41469755,247.0734878,0,1447.247658,93.03734943,-431.8770788,-789.0945563,445.6603899,-592.6823742,91.88874018,459.4437009,0,0.15246,0.009801,-0.045496,-0.083127,0.046948,-0.062436,0.00968,0.0484,0,6.469870403,0.41592024,-1.930691485,-3.527619815,1.992309299,-2.649565974,0.410785422,2.053927112,0,35.14443871,2.259285346,-10.48754679,-19.16208682,10.82225573,-14.39248442,2.231392934,11.15696467,0,1.444444444,-0.027777778,-0.5,-0.638888889,0.666666667,-0.666666667,-2.13E-15,0.444444444,0,0.001316819,3.25E-05,-2.11E-04,-2.10E-04,1.99E-04,-2.44E-04,6.66E-06,6.97E-04,0,27.79576737,1.725254527,-3.870817975,-4.767963092,3.153437936,-5.312079987,1.029472866,15.44209298,0,51.68741635,3.208184463,-7.197951314,-8.86623097,5.863952498,-9.878039569,1.914348754,28.71523131,0,0.005445,3.38E-04,-7.58E-04,-9.34E-04,6.18E-04,-0.0010406,2.02E-04,0.003025,0,0.2310668,0.014342077,-0.032178191,-0.039636178,0.026214596,-0.044159433,0.00855803,0.128370444,0,1.255158525,0.077906391,-0.174792447,-0.215304346,0.142398102,-0.23987474,0.046487353,0.697310292,0,0.051587302,-9.58E-04,-0.008333333,-0.007178527,0.00877193,-0.011111111,-4.44E-17,0.027777778,0,0.024716904,-0.160050119,-0.159366803,0.150977824,-0.185321857,0.005058341,0.529503674,0,0.062068966,-0.139259259,-0.171535581,0.113450292,-0.191111111,0.037037037,0.555555556,0,0.062068966,-0.139259259,-0.171535581,0.113450292,-0.191111111,0.037037037,0.555555556,0,0.062068966,-0.139259259,-0.171535581,0.113450292,-0.191111111,0.037037037,0.555555556,0,0.062068966,-0.139259259,-0.171535581,0.113450292,-0.191111111,0.037037037,0.555555556,0,0.062068966,-0.139259259,-0.171535581,0.113450292,-0.191111111,0.037037037,0.555555556,0,-0.018567639,-0.161538462,-0.139152982,0.170040486,-0.215384615,-8.60E-16,0.538461538,0,1.342958085,1.317299795,1.08305918,0.741630902,1.179020205,0.760808334,0,0,1.303448276,1.33,1.13258427,0.773684211,1.12,0.7,0,0,1.303448276,1.33,1.13258427,0.773684211,1.12,0.7,0,0,1.303448276,1.33,1.13258427,0.773684211,1.12,0.7,0,0,1.303448276,1.33,1.13258427,0.773684211,1.12,0.7,0,0,1.303448276,1.33,1.13258427,0.773684211,1.12,0.7,0,0,1.396551724,1.298076923,1.038461538,0.724190283,1.246153846,0.778846154,0,0,47.07265321,23.5363266,35.95873368,47.07265321,4.707265321,23.5363266,-1.42E-14,3.33E-16,3.33E-17,-35.63818828,47.94918458,4.794918458,3.870141796,47.07265321,23.5363266,35.95873368,47.07265321,4.707265321,23.5363266,-1.42E-14,3.33E-16,3.33E-17,-35.63818828,47.94918458,4.794918458,3.870141796,47.07265321,23.5363266,35.95873368,47.07265321,4.707265321,23.5363266,-1.42E-14,3.33E-16,3.33E-17,-35.63818828,47.94918458,4.794918458,3.870141796,47.07265321,23.5363266,35.95873368,47.07265321,4.707265321,23.5363266,-1.42E-14,3.33E-16,3.33E-17,-35.63818828,47.94918458,4.794918458,3.870141796,47.07265321,23.5363266,35.95873368,47.07265321,4.707265321,23.5363266,-1.42E-14,3.33E-16,3.33E-17,-35.63818828,47.94918458,4.794918458,3.870141796,47.07265321,23.5363266,35.95873368,47.07265321,4.707265321,23.5363266,-1.42E-14,3.33E-16,3.33E-17,-35.63818828,47.94918458,4.794918458,3.870141796,49.99960839,24.98869308,38.78602973,49.98183061,4.998183061,24.98869308,-0.022222222,1.11E-16,1.11E-17,-36.73680057,45.55960674,4.555960674,3.819021507,0,11.9,12.10017173,-0.151146394,0.049052325,6.939690164,9.239008901,11,29,29,29,11,0,0,0,0,0,19.677726,3.743078852,3.432574826,2.641561682,2.459820995,2.459820995,2.104115623,1.206347075,1.19006016,1.862703213,1.724171079,1.724171079,1.463302891,0.757863935,0.757863935,0.735121179,0.599975085,3.764442493,3.461101754,2.680442741,2.510897621,2.510897621,2.162806931,1.314693054,1.30885592,1.812151498,1.655976007,1.655976007,1.385504819,0.62194973,0.62194973,0.60611689,0.452121925,3.858666694,3.586224071,2.854988672,2.734801489,2.734801489,2.422580545,1.778468089,1.778468089,1.66748115,1.452583651,1.452583651,1.154354357,0.19123075,0.172849073,0.172849073,0.046080835,3.780191068,3.482102777,2.709324748,2.548571849,2.548571849,2.206296049,1.39352899,1.39352899,1.780322735,1.612285733,1.612285733,1.335684977,0.531260614,0.531260614,0.520823094,0.352776267,3.904834438,3.646932101,2.941128325,2.841861735,2.841861735,2.547062666,1.978039144,1.978039144,1.623566697,1.38842831,1.38842831,1.082182257,0.0516727,0.016182923,0.016182923,0.22393272,3.806025351,3.544615199,2.763935841,2.654572333,2.654572333,2.309534581,1.594952224,1.594952224,1.747123481,1.508440758,1.508440758,1.234970512,0.351989219,0.33199289,0.33199289,0.139731373,0,0,0,0,0,0,8,2,0,0,0,0.288675135,0.166666667,0.23570226,0,0,0.288675135,0.166666667,0.23570226,0.333333333,0,0.083333333,0,0.333333333,0,0.083333333,0,0.942809042,1.5,1.414213562,0.942809042,1.5,1.414213562,6.811554788,4.966326495,4.089073412,3.466326495,2.857589235,1.333333333,0.942809042,0.5,0.681155479,0.451484227,0.292076672,0.192573694,0.12989042,0.083333333,0.058925565,0.041666667,6.811554788,4.966326495,4.089073412,3.466326495,2.857589235,1.333333333,0.942809042,0.5,0.681155479,0.451484227,0.292076672,0.192573694,0.12989042,0.083333333,0.058925565,0.041666667,14.87645023,26.99053168,25.52941176,25.84,17.18699042,213.9969904,0.531301794,0.96394756,0.911764706,0.922857143,0.613821086,7.642749658,3.3668,43.916,48.03513761,70.0626994,96.07027522,9.607027522,48.03513761,4.44E-16,4.44E-17,-35.35050621,57.94913187,5.794913187,4.059565589,90,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,12.35648148,0,0,0,2.310185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.528935185,0,0,0,1.155092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.560185185,0,0,0,1.155092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66666667,1.466666667,0.2,1.560185185,0.2,1.155092593,6.937652778,0.178240741,0.060185185,0.712962963,0.178240741,0.060185185,0.712962963,5,0.5,0,0,0.44286,0.7,0.44286,0.44286,0.7,0,0,0,0,0.71429,0,0,0,0.2,0,5.5,0.55,5.5,0.55,0,0,-5.5,-0.55,0,0,10.71029,1.07103,10.71029,0,0,4.96631,0.49663,4.96631,0,0,-0.05231,-0.00523,0.11969,0.01197,0.357142857,31,0,0,0,0,0,0,1,0.940285959,1.198117421,1.807354922,2.378783493,2.182005815,2.120952031,26.32800684,33.54728779,50.60593782,66.60593782,61.09616281,59.38665687,0.195593205,0.249225913,0.375956207,0.494821691,0.453889062,0.441188983,3.867068963,3.609237501,3,2.428571429,2.625349107,2.686402891,0.193554886,0.246628676,0.372038286,0.489665047,0.449158985,0.436591257,6.779097864,9.873075414,13.62770164,14.20360166,11.84226951,13.94375265,39.20654966,35.42600366,30.43931939,31.3199826,35.57548876,31.9500736,6.694214876,2.93877551,1.382716049,0,0,0,2.56,1.3004,0,0,0,0,11.03116616,8.596559455,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.093,0.104,0.349,0.426,5.02,14,18,22,16,16,12,8,4,0,131,2.48490665,2.708050201,2.944438979,3.135494216,2.833213344,2.833213344,2.564949357,2.197224577,1.609437912,0,4.882801923,1,0.4,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.090909091,1,0.090909091,1,3,5,0.666666667,1,0.888888889,0.055555556,0.18,0,0,0,0,0,0,0.090909091,0.063492063,0.006944444,0.0225,0,0,0,0,0,0,0.183845599,23.5363266,35.95873368,47.07265321,4.707265321,23.5363266,3.33E-16,3.33E-17,-35.63818828,47.94918458,4.794918458,3.870141796,0,156.8033876,4.321928095,3.931825633,4.744932128,5.572154032,6.401917197,7.23489842,8.068089626,8.902047346,9.735956081,10.57005972,86.16188019,3.135494216,0,4.369447852,3.044522438,5.777652323,5.129898715,7.271703707,6.985641818,8.816260209,9.198369,138.1408506,4.933601806,20.3637329,2.03637329,0,0,0,115,8,5.228,50,1.403756709,2.506845621,3.365074285,4.457342388,5.77061541,6.751434042,7.935583288,0,0,0,111.2140036,118.3538689,81.52021268,111.1233233,109.466772,34.65171244,8.063060498,0,0,0,381.2007531,479.251274,418.0061303,525.4602068,635.8124887,419.4767297,246.6676428,0,0,0,10.29290999,18.03627034,23.68270365,31.15588362,40.45145715,46.35949941,53.31493064,0,0,0,2.757555159,3.779068188,3.684261992,4.594507991,5.84066284,4.677979121,3.528262737,0,0,0,196.1766691,373.4923175,539.6155127,732.3684854,936.603277,1168.787344,1467.429429,0,0,0,2.53364064,3.980199105,4.641521026,6.017915051,7.981284582,8.004331131,7.935583288,0,0,0,0.566821252,0.789608871,0.785815836,0.980459879,1.254127191,1.036144125,0.812603729,0,0,0,395.2325144,191.5754307,10.59210105,89.66010531,-43.45966656,-4.346257405,305.5724091,235.0350972,14.93835846,0.815092865,0.395088362,0.02184422,0.184907135,-0.089627404,-0.00896334,191.6453293,92.89351244,5.136031628,43.47552335,-21.07327157,-2.107468139,0.062153552,0.108408697,1.24846721,0.552307789,484.8926197,0,1,0,494.6237679,22.24013867,7.908455231,668.9904173,25.86484907,8.745942793,845.2261,29.07277249,9.454915092,1.732930963,1.732930963,1124.077396,1025.345738,204.7230826,1.09629109,5.49072133,5.008452028,5.301894258,5.691804142,9.717452428,0.707271049,5.020209962,4.151263098,3.982568407,15.38837539,15.28084271,16.19443329,13.12625775,14.78113984,7.360465628,5.267932028,13.63340146,9.766585474,4.637603711,2.258520327,2.023226083,0.287627364,2.882756939,0.021080471,5.62E-04,3.30E-27,4.16E-72,1.08E-138,5.55E-227,0,0,0,0,0,0,0,0.421311435,4.150918446,1.439804943,4.525908936,1.155637437,3.673857462,0.748205252,1.911746996,2.063023713,0.285838868,3.440299172,0.889500219,0.128463396,0.743184464,0.971972769,0.008591093,0.091334009,1.48E-04,3.96E-06,2.33E-29,2.93E-74,7.57E-141,3.91E-229,0,0,0,0,0,0,0,1.360044669,4.150943086,1.783501588,6.175134356,2.808456531,5.155423939,2.148804201,3.263349746,2.768344267,0.95373206,4.624308658,2.278886328,0.586253676,0.852990887,1.053367268,0.037977773,0.394069181,0.001547187,4.12E-05,2.43E-28,3.05E-73,7.89E-140,4.08E-228,0,0,0,0,0,0,0,4.738668689,4.151225828,3.764874327,14.52243082,13.98082011,15.04793393,11.97013174,13.54212074,6.903143587,4.839446614,12.69219259,9.073629048,4.197897249,2.095173961,1.911751354,0.260791408,2.617393254,0.01878232,5.00E-04,2.94E-27,3.70E-72,9.58E-139,4.95E-227,0,0,0,0,0,0,0,2.004455605,4.150973572,2.071499325,7.475937421,4.308407073,6.491410242,3.444611737,4.569849994,3.364166981,1.515862415,5.70331909,3.358139846,1.037874219,0.987606995,1.148788526,0.066337081,0.681181176,0.003360698,8.95E-05,5.27E-28,6.63E-73,1.71E-139,8.86E-228,0,0,0,0,0,0,0,6.062630571,4.151419456,4.859019648,18.8227445,20.58847769,20.87086434,17.85916906,19.88093282,9.204753486,6.994628871,17.47842476,12.5020459,6.451462604,2.943455085,2.489465505,0.398063258,3.972548233,0.030743885,8.19E-04,4.82E-27,6.06E-72,1.57E-138,8.10E-227,0,0,0,0,0,0,0,3.457444877,4.028948545,2.843240691,10.68743382,8.648212769,10.17986055,7.229937382,8.591271821,4.955488889,3.02503459,9.000532058,6.207135743,2.445180085,1.488287359,1.51763852,0.153560546,1.554877401,0.009799806,2.61E-04,1.54E-27,1.93E-72,5.00E-139,2.58E-227,0,0,0,0,0,0,0,8.089484512,1.735300167,0.909872287,0.753585749,0.161653993,0.565805198,0.444405381,0.446328981,10.73465697,22.97698313,46.48413957,0.630378624,1.45653956,7.039393628,1.098676296,0.383764825,0.826042024,0.128924853,0.42831001,0.178227243,0.079349177,8.521834749,10.8571199,22.34699753,0.739063037,0.68588643,7.442746021,1.343260284,0.585974623,0.794148652,0.143327253,0.478851263,0.266359987,0.185085556,9.371980928,15.14592186,30.37621053,0.691222978,0.930296806,8.062060096,1.718679017,0.896145259,0.755094821,0.160971961,0.561969958,0.435937526,0.432965218,10.67688437,22.62105651,45.7150134,0.632642232,1.430872702,7.628222183,1.455707675,0.678903682,0.781353298,0.149107088,0.503043041,0.312795698,0.248474884,9.76283354,17.27157501,34.57326841,0.672029947,1.064313623,8.175839896,1.787636044,0.95309248,0.748938639,0.163754394,0.577967468,0.4716002,0.48972841,10.91656842,24.11154009,48.95796121,0.623407959,1.539296078,8.076720173,1.724607364,0.899920223,0.754745648,0.161159465,0.564017434,0.438952328,0.436623596,10.70124776,22.74958395,45.98597446,0.632118472,1.439593357 +UMLS0183,L,cyclopentylcyclopentane,C1CCC(C1)C2CCCC2,15417,,UML,[1],C10H18,PubChem,,0,0,0.463,0.214369,29.1787,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1719.157786,1097.746948,287.86464,24.385536,0,0,0,3399.790734,4570.930941,7070.212022,6886.010428,3693.500827,746.0098663,0,0,0,146.842108,152.43046,299.177704,409.724176,444.68352,161.243136,0,0,0,25.74688067,35.11192034,56.83310387,63.25981588,42.27846692,10.67070972,0,0,0,3476.407621,3031.276161,6485.816131,9157.336253,11383.7453,4438.023649,0,0,0,32.5625,39.5,67,93,79,24,0,0,0,48.76541633,56.15943233,40.93232824,18.92667152,4.428686769,1.016064,0,0,0,161.8947969,217.6633782,168.3383815,118.7243177,56.82308964,31.08374443,0,0,0,6.992481333,7.258593333,7.123278667,7.064209931,6.841284923,6.718464,0,0,0,1.226041937,1.671996207,1.35316914,1.090686481,0.650437953,0.444612905,0,0,0,165.54322,144.3464838,154.4241936,157.8851078,175.134543,184.917652,0,0,0,1.550595238,1.880952381,1.595238095,1.603448276,1.215384615,1,0,0,0,0.027535165,-0.003887458,0.007166211,-0.033384939,0.00136783,0.014970773,0,0,0,564.9747087,4.90E-13,80.71067267,-753.2996116,67.25889389,322.8426907,0,0,0,1050.594596,-5.68E-14,150.0849423,-1400.792795,125.0707852,600.3397692,0,0,0,0.110674667,1.59E-15,0.015810667,-0.147566222,0.013175556,0.063242667,0,0,0,4.696646663,7.55E-15,0.670949523,-6.26219555,0.559124603,2.683798093,0,0,0,25.51225921,2.26E-14,3.644608459,-34.01634562,3.037173716,14.57843384,0,0,0,2.202380952,-1.080357143,1.470238095,-2.303004535,-0.171060091,0.982993197,0,0,0,0.001311198,-1.85E-04,1.71E-04,-5.76E-04,2.10E-05,6.24E-04,0,0,0,26.90355756,2.33E-14,1.921682683,-12.98792434,1.034752214,13.45177878,0,0,0,50.0283141,-2.71E-15,3.573451007,-24.15159991,1.924165927,25.01415705,0,0,0,0.005270222,7.57E-17,3.76E-04,-0.002544245,2.03E-04,0.002635111,0,0,0,0.223649841,3.60E-16,0.015974989,-0.107968889,0.008601917,0.111824921,0,0,0,1.214869486,1.08E-15,0.086776392,-0.586488718,0.046725749,0.607434743,0,0,0,0.104875283,-0.051445578,0.035005669,-0.039706975,-0.002631694,0.04095805,0,0,0,-0.141181577,0.130128347,-0.438989568,0.016049093,0.475734436,0,0,0,8.68E-16,0.071428571,-0.482758621,0.038461538,0.5,0,0,0,-5.41E-17,0.071428571,-0.482758621,0.038461538,0.5,0,0,0,1.44E-14,0.071428571,-0.482758621,0.038461538,0.5,0,0,0,1.61E-15,0.071428571,-0.482758621,0.038461538,0.5,0,0,0,8.88E-16,0.071428571,-0.482758621,0.038461538,0.5,0,0,0,-0.490540541,0.333783784,-0.37861137,-0.025093555,0.390540541,0,0,0,1.569323881,0.947185736,1.55510981,0.722847947,0.003371338,0,0,0,1.428571429,1.12244898,1.551724138,0.659340659,0,0,0,0,1.428571429,1.12244898,1.551724138,0.659340659,0,0,0,0,1.428571429,1.12244898,1.551724138,0.659340659,0,0,0,0,1.428571429,1.12244898,1.551724138,0.659340659,0,0,0,0,1.428571429,1.12244898,1.551724138,0.659340659,0,0,0,0,2,0.513513514,1.663560112,0.768399168,0,0,0,0,22.77328225,11.38664112,16.27413364,22.77328225,3.253326035,11.38667429,-1.07E-14,0.009282352,0.00132605,-3.275748196,31.77968915,4.539955593,2.421179166,22.77328225,11.38664112,16.27413364,22.77328225,3.253326035,11.38667429,-1.07E-14,0.009282352,0.00132605,-3.275748196,31.77968915,4.539955593,2.421179166,22.77328225,11.38664112,16.27413364,22.77328225,3.253326035,11.38667429,-1.07E-14,0.009282352,0.00132605,-3.275748196,31.77968915,4.539955593,2.421179166,22.77328225,11.38664112,16.27413364,22.77328225,3.253326035,11.38667429,-1.07E-14,0.009282352,0.00132605,-3.275748196,31.77968915,4.539955593,2.421179166,22.77328225,11.38664112,16.27413364,22.77328225,3.253326035,11.38667429,-1.07E-14,0.009282352,0.00132605,-3.275748196,31.77968915,4.539955593,2.421179166,22.77328225,11.38664112,16.27413364,22.77328225,3.253326035,11.38667429,-1.07E-14,0.009282352,0.00132605,-3.275748196,31.77968915,4.539955593,2.421179166,27.24816257,13.53479557,19.67132958,27.12061155,3.874373078,13.53479908,-0.178571429,0.009006543,0.001286649,-3.296862766,28.06813728,4.009733897,2.33424452,0,11.9,12.10010405,-0.15024009,0.049918964,6.28675,8.706003578,7,21,21,21,7,0,0,0,0,0,15.304898,3.685509312,2.900624885,2.459820995,2.333552793,1.882361569,1.19006016,0.442409364,0.083923071,1.86262437,1.724171079,1.249629723,1.216389467,0.757863935,0.580122082,0.083923071,0.083923071,3.707373867,2.941805738,2.510897621,2.405454588,1.958407586,1.30885592,0.55183602,0.270913902,1.806936484,1.655976007,1.134540686,1.109748189,0.62194973,0.429996831,0.270913902,0.270913902,3.804575529,3.123976702,2.734801489,2.704236987,2.278289185,1.778468089,0.964952352,0.943918427,1.648584778,1.452583651,0.770167703,0.76031856,0.172849073,0.078713994,0.943918427,0.943918427,3.723536286,2.972249117,2.548571849,2.457539916,2.013769761,1.39352899,0.628737459,0.399277246,1.771937841,1.612285733,1.058262671,1.039584512,0.531260614,0.328938534,0.399277246,0.399277246,3.852583127,3.212391847,2.841861735,2.838982085,2.423819797,1.978039144,1.207644823,1.207644823,1.601035517,1.38842831,0.656201591,0.631337262,0.016182923,0.261765856,1.12961095,1.207644823,3.713084649,3.066460035,2.69310324,2.575360409,2.101224725,1.526647766,0.680858864,0.622222222,1.741924609,1.5891262,0.888833626,0.826436573,0.401770864,0.175314483,0.622222222,0.622222222,0,0,0,0,0,2,4,0,1,0,0,0.125,0.25,0.125,0,0,0.125,0.25,0.125,1.207106781,0.25,0,0,1.207106781,0.25,0,0,1.207106781,1.457106781,0.5,1.207106781,1.457106781,0.5,5.328427125,3.207106781,3.371320344,1.957106781,1.332106781,0.5,0,0,0.761203875,0.458158112,0.337132034,0.217456309,0.148011865,0.125,0,0,5.328427125,3.207106781,3.371320344,1.957106781,1.332106781,0.5,0,0,0.761203875,0.458158112,0.337132034,0.217456309,0.148011865,0.125,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.5866,32.249,21.66837026,30.60589335,43.33674052,6.190962931,21.66837026,0.160268878,0.022895554,-1.28163167,24.81525031,3.545035759,2.248020877,34,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,4.722222222,0,5.833333333,0,0,0,0,0,0,0,0,0,0.694444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.361111111,0,1.451388889,0,0,0,0,0,0,0,0,0,0.694444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.361111111,0,1.465277778,0,0,0,0,0,0,0,0,0,0.694444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.25,1.607142857,0.2,2.361111111,0,0.694444444,5.021805556,0.555555556,0.361111111,1.444444444,0.555555556,0.361111111,1.444444444,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.28571,0,0.14286,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,7.16768,1.02395,7.16768,0,0,3.20711,0.45816,3.20711,0,0,0.20689,0.02956,0.29289,0.04184,0.238095238,7,0,0,0,0,0,0,1,0.918295834,1.377890332,2.22518528,2.606137661,2.243773829,2.143780235,19.28421252,28.93569697,46.72889087,54.72889087,47.1192504,45.01938493,0.209068641,0.313704635,0.506608486,0.593340009,0.510840546,0.488074979,3.474021589,3.014427091,2.167132143,1.786179762,2.148543594,2.248537188,0.209068641,0.313704635,0.506608486,0.593340009,0.510840546,0.488074979,6.73287657,12.24801054,15.19568322,15.57961656,11.23125058,15.11364117,27.64912502,21.52784026,20.22732625,19.62950922,25.40918819,19.8055605,5.142857143,1.5,1.185185185,0,0,0,2.23,0.9863,0.5,3.265986324,0,2,4.242640687,0,2.828427125,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.111,0.198,0.227,3.211,10,9,9,4,0,0,0,0,0,46,2.079441542,2.397895273,2.302585093,2.302585093,1.609437912,0,0,0,0,0,3.850147602,1,0.333333333,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,0,2,3,0.5,2.5,0.888888889,0.444444444,0,0,0,0,0,0,0,0.357142857,0.088888889,0.111111111,0,0,0,0,0,0,0,0.557142857,11.38664112,16.27413364,22.77328225,3.253326035,11.38667429,0.009282352,0.00132605,-3.275748196,31.77968915,4.539955593,2.421179166,0,117.2718924,3.807354922,3.555348061,4.290459441,5.153291594,5.910796644,6.771935556,7.539558829,8.395025557,9.169622539,10.01935765,74.80539587,2.708050201,0,4.007333185,2.397895273,5.468060141,4.59511985,6.991176887,6.529418838,8.543835122,8.898911906,98.10955045,4.671883355,13.37040043,1.910057204,0,0,0,39,4,3.959,34,1.343117981,2.388874078,3.291932355,3.861754203,4.795163184,0,0,0,0,0,95.70321648,112.149332,68.8779076,18.92409842,4.872192686,0,0,0,0,0,339.7181944,443.4687559,407.7944995,233.1760201,149.0516269,0,0,0,0,0,9.8140227,17.11147376,23.28604483,26.48492048,32.21613123,0,0,0,0,0,2.502707816,3.485700638,3.688477291,2.621697328,2.131991433,0,0,0,0,0,189.8352978,362.060893,517.6150711,671.1045041,886.7103171,0,0,0,0,0,2.595680055,3.981639773,5.335976018,4.811806205,4.795163184,0,0,0,0,0,0.516208864,0.728414912,0.788675383,0.581543897,0.49102471,0,0,0,0,0,287.1220645,102.0276927,7.300263134,58.77752958,-20.88636322,-3.188061369,228.3445349,122.9140559,10.4883245,0.830073436,0.29496332,0.021105151,0.169926564,-0.060382734,-0.009216725,99.31540555,35.29133749,2.525158055,20.33112362,-7.224584558,-1.102749133,0.076103537,0.168318214,1.116204332,1.550960592,345.8995941,0,1,0,340.3421315,18.44836393,6.981872358,475.9606367,21.8165221,7.807710088,569.7796819,23.87005827,8.290275939,1.099740677,1.059730873,319.2836083,303.6896648,146.6756519,1.051348285,2.176800336,2.070484507,3.939354211,3.828720141,6.541971623,0.708657562,3.904607748,3.492913741,3.766697248,15.07625671,9.588210516,10.84563816,7.60474172,9.515132087,3.603133359,0.945844567,1.497734646,0.838483325,7.74E-10,1.38E-40,4.74E-93,3.14E-167,4.01E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,3.492623747,0.757240322,4.995787849,2.260247985,1.311609197,0.359922187,0.57275864,0.158914013,0.078680117,0.010549893,0.005905507,5.45E-12,9.71E-43,3.34E-95,2.21E-169,2.83E-265,0,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,3.492643676,1.091892783,6.686115822,3.216276565,2.376566661,1.260156246,1.521379345,0.60751531,0.254448983,0.109928399,0.061539932,5.68E-11,1.01E-41,3.48E-94,2.30E-168,2.95E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,3.492882097,3.483532426,14.3291953,8.948646995,9.950253201,6.95653377,8.657536016,3.302269231,0.892319458,1.334455449,0.747073547,6.90E-10,1.23E-40,4.22E-93,2.80E-167,3.58E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,3.492669015,1.404652663,7.955535113,4.032827556,3.369255608,2.049933477,2.432890579,0.991013739,0.375476353,0.238776155,0.133672956,1.23E-10,2.20E-41,7.55E-94,5.01E-168,6.40E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,3.493046676,4.927454473,17.98982863,12.17303678,14.51477862,10.23716877,13.04257679,4.819299091,1.144521184,2.184301224,1.222849127,1.13E-09,2.01E-40,6.91E-93,4.58E-167,5.85E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,2.591502624,3.096948703,1.871394817,10.81481716,6.052549118,5.373633399,3.733656059,4.508357575,2.059709349,0.559200435,0.57986985,0.324627618,3.00E-10,5.34E-41,1.83E-93,1.22E-167,1.55E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,3.118894034,1.35502221,1.25797003,0.544130481,0.236400749,0.448805338,0.448610405,0.474352451,5.731886274,9.854223238,20.90250558,0.316195721,1.371768194,2.432780754,0.82742418,0.668100661,0.619295189,0.210631317,0.272566937,0.148117487,0.137687866,3.928305595,4.191086691,9.464239912,0.428942783,0.558372291,2.705207511,1.034324358,0.905097429,0.582437766,0.222692553,0.337264949,0.237193129,0.251309933,4.644629298,6.182702704,13.35985075,0.373656649,0.82576801,3.101900643,1.341598652,1.243735402,0.545414566,0.235896481,0.443907142,0.437145617,0.464529538,5.687234698,9.688043107,20.5510898,0.318121849,1.345582296,2.826672602,1.127407269,1.009844386,0.569443137,0.227120159,0.368350577,0.287168418,0.311667233,4.963924257,7.179816596,15.36192429,0.354164706,0.967186228,3.172097911,1.397231039,1.302349487,0.540236995,0.237961096,0.464316369,0.486483137,0.505076186,5.871678437,10.38301687,22.02690835,0.310355492,1.455875692,3.108251891,1.344424012,1.247993432,0.545243323,0.235836168,0.445749042,0.446545587,0.465156691,5.700669335,9.735718758,20.65151362,0.317864984,1.35745132 +UMLS0184,L,"1,1-Dimethylcyclopentane",CC1(CCCC1)C,15421,,"Sandia, UML",[1],C7H14,PubChem,,3,0,-0.6076,0.36917776,26.3399,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1477.025768,964.65466,533.889554,141.39216,12.192768,0,0,3399.790734,4570.930941,6619.957195,5882.175964,3751.553998,1769.041052,373.0049332,0,0,146.842108,152.43046,299.130272,404.93416,324.596936,205.5456,80.621568,0,0,25.74688067,35.11192034,54.8202553,55.23263902,37.62614601,20.0277012,5.335354858,0,0,3476.407621,3031.276161,6474.882305,9538.877504,8002.571176,5229.578518,2219.011824,0,0,31.02777778,38.08333333,64.91666667,78.83333333,62,37,12,0,0,48.76541633,56.15943233,35.16728019,16.6319769,11.35935221,4.713072,1.016064,0,0,161.8947969,217.6633782,157.6180285,101.416827,79.82029783,58.96803508,31.08374443,0,0,6.992481333,7.258593333,7.122149333,6.981623448,6.906317787,6.85152,6.718464,0,0,1.226041937,1.671996207,1.305244174,0.95228688,0.800556298,0.66759004,0.444612905,0,0,165.54322,144.3464838,154.1638644,164.4634052,170.2674718,174.3192839,184.917652,0,0,1.477513228,1.813492063,1.545634921,1.359195402,1.319148936,1.233333333,1,0,0,0.028683677,-0.001665962,-0.009502807,-0.010467147,0.001210158,-0.00118001,0.00726393,0,0,564.9747087,5.76E-13,-161.4213453,-269.0355756,-13.45177878,-5.01E-13,161.4213453,0,0,1050.594596,0,-300.1698846,-500.283141,-25.01415705,1.42E-13,300.1698846,0,0,0.110674667,1.58E-15,-0.031621333,-0.052702222,-0.002635111,-1.12E-15,0.031621333,0,0,4.696646663,7.55E-15,-1.341899046,-2.236498411,-0.111824921,-5.02E-15,1.341899046,0,0,25.51225921,2.09E-14,-7.289216918,-12.14869486,-0.607434743,-1.13E-14,7.289216918,0,0,1.661375661,-0.349206349,-0.517195767,-0.096497858,0.010519022,-0.278155707,0.399848828,0,0,0.001365889,-7.93E-05,-2.26E-04,-1.80E-04,2.57E-05,-3.93E-05,6.05E-04,0,0,26.90355756,2.74E-14,-3.843365365,-4.638544406,-0.286208059,-1.67E-14,13.45177878,0,0,50.0283141,0,-7.146902014,-8.625571396,-0.532216107,4.74E-15,25.01415705,0,0,0.005270222,7.54E-17,-7.53E-04,-9.09E-04,-5.61E-05,-3.75E-17,0.002635111,0,0,0.223649841,3.60E-16,-0.031949977,-0.038560317,-0.002379254,-1.67E-16,0.111824921,0,0,1.214869486,9.94E-16,-0.173552784,-0.209460256,-0.012924143,-3.77E-16,0.607434743,0,0,0.079113127,-0.016628874,-0.012314185,-0.001663756,2.24E-04,-0.009271857,0.033320736,0,0,-0.058080487,-0.165648344,-0.13212494,0.018850759,-0.028797118,0.443174591,0,0,1.02E-15,-0.142857143,-0.172413793,-0.010638298,-6.21E-16,0.5,0,0,0,-0.142857143,-0.172413793,-0.010638298,9.47E-17,0.5,0,0,1.43E-14,-0.142857143,-0.172413793,-0.010638298,-7.12E-15,0.5,0,0,1.61E-15,-0.142857143,-0.172413793,-0.010638298,-7.49E-16,0.5,0,0,8.18E-16,-0.142857143,-0.172413793,-0.010638298,-3.11E-16,0.5,0,0,-0.210191083,-0.155652866,-0.02103009,0.002828974,-0.117197452,0.421178344,0,0,1.487348494,1.286575623,1.045604518,0.860117989,0.786939709,0.004225556,0,0,1.428571429,1.326530612,1.108374384,0.820668693,0.714285714,0,0,0,1.428571429,1.326530612,1.108374384,0.820668693,0.714285714,0,0,0,1.428571429,1.326530612,1.108374384,0.820668693,0.714285714,0,0,0,1.428571429,1.326530612,1.108374384,0.820668693,0.714285714,0,0,0,1.428571429,1.326530612,1.108374384,0.820668693,0.714285714,0,0,0,1.703821656,1.098726115,0.807160114,1.024529069,1.103503185,0,0,0,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,27.77813452,13.84244028,21.13062283,27.71152455,3.958789221,13.84244316,-0.093253968,0.096451767,0.013778824,-1.637098556,31.38905264,4.484150377,2.412521433,0,11.9,12.10010405,-0.151270271,0.048850063,5.392996342,8.077254951,7,21,21,21,7,0,0,0,0,0,15.304898,3.647787381,3.021440864,2.459820995,2.333928549,1.614437775,1.19006016,0.90129777,0.083923071,1.84856911,1.724171079,1.450086455,0.858665118,0.757863935,0.599202866,0.342753438,0.083923071,3.671939768,3.062393404,2.510897621,2.389140141,1.708805736,1.30885592,1.030454092,0.270913902,1.788978482,1.655976007,1.359643119,0.728794522,0.62194973,0.450646282,0.180101225,0.270913902,3.778083811,3.241304403,2.734801489,2.629214171,2.094567724,1.778468089,1.535538228,0.943918427,1.615918511,1.452583651,1.078375163,0.30272884,0.172849073,0.05241732,0.385488991,0.943918427,3.689726204,3.092533223,2.548571849,2.42975998,1.776860463,1.39352899,1.122168703,0.399277246,1.751218884,1.612285733,1.300689189,0.642372585,0.531260614,0.350686873,0.069694815,0.399277246,3.829816881,3.327119566,2.841861735,2.742891592,2.264406843,1.978039144,1.74770537,1.207644823,1.562710917,1.38842831,0.986158122,0.155202657,0.016182923,0.233608016,0.596747543,1.207644823,3.693106554,3.226609051,2.607153007,2.523408499,1.928706972,1.554062227,1.280899197,0.646153846,1.711484768,1.5567116,1.135299283,0.464111875,0.373734403,0.172430898,0.122904243,0.646153846,0,0,0,0,0,1,5,1,0,0,0,0.144337567,0.102062073,0.102062073,0,0,0.144337567,0.102062073,0.102062073,0.204124145,0,0,0,0.204124145,0,0,0,0.49279928,0.594861352,0.204124145,0.49279928,0.594861352,0.204124145,5.112884175,3.431851653,2.558730745,2.052095141,1.418611262,0.49279928,0.204124145,0,0.730412025,0.490264522,0.319841343,0.228010571,0.157623474,0.12319982,0.102062073,0,5.112884175,3.431851653,2.558730745,2.052095141,1.418611262,0.49279928,0.204124145,0,0.730412025,0.490264522,0.319841343,0.228010571,0.157623474,0.12319982,0.102062073,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.5866,32.249,22.87726984,33.16178179,45.75453968,6.536362811,22.87726984,0.106509552,0.01521565,-1.567664427,23.73191568,3.390273668,2.216774557,44,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,1,0,5,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,2.301574074,0,7.434537037,0,0,0,1.097222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.301574074,0,1.416666667,0,0,0,1.097222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.301574074,0,1.510416667,0,0,0,1.097222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.83333333,1.547619048,0.2,2.301574074,0.2,1.097222222,5.044046296,0.236111111,0.301574074,0.644814815,0.236111111,0.301574074,0.644814815,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.14286,0.14286,0,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.53706,0.93387,6.53706,0,0,3.43185,0.49026,3.43185,0,0,-0.01785,-0.00255,0.06815,0.00974,0.238095238,7,0,0,0,0,0,0,1,0.918295834,1.301240785,2.262362377,2.855904922,2.891851946,2.606137661,19.28421252,27.3260565,47.50960993,59.97400337,60.72889087,54.72889087,0.209068641,0.296253813,0.515072605,0.650204584,0.658388652,0.593340009,3.474021589,3.091076637,2.129955045,1.5364125,1.500465476,1.786179762,0.209068641,0.296253813,0.515072605,0.650204584,0.658388652,0.593340009,6.73287657,11.32821599,14.83801525,16.87821207,14.42555679,15.57961656,27.64912502,22.75804088,20.11514464,17.85206274,20.67668291,19.62950922,5.142857143,2.34375,1.185185185,2,0,2,2.23,0.9863,0,1.850535862,0.5,0,5.676240019,3.789291416,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,3.395,8,9,9,4,2,0,0,0,0,46,2.079441542,2.197224577,2.302585093,2.302585093,1.609437912,1.098612289,0,0,0,0,3.850147602,1,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,2,0.285714286,0,2,4,1,1,0.444444444,0.222222222,0.125,0,0,0,0,0,0,0.142857143,0.055555556,0.055555556,0.0625,0,0,0,0,0,0,0.316468254,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,0,117.2718924,3.807354922,3.433987204,4.17438727,4.934473933,5.693732139,6.459904454,7.22329568,7.990576882,8.755107122,9.522446728,72.18791141,2.708050201,0,3.850147602,2.397895273,5.176149733,4.442651256,6.577861358,6.259581464,8.017966703,8.436416881,98.10955045,4.671883355,13.58523637,1.940748052,0,0,0,43,4,3.922,30,1.343117981,2.390692085,3.210325243,4.004198754,5.06631913,6.164327026,0,0,0,0,95.70321648,95.61595469,62.23573983,55.47485422,26.45975158,6.263350776,0,0,0,0,339.7181944,410.0402052,351.5421791,355.316314,318.2240234,191.6103659,0,0,0,0,9.8140227,17.10320877,22.47497521,27.76408163,34.80490719,41.41480921,0,0,0,0,2.502707816,3.324005922,3.217759812,3.445317846,3.537941431,2.740739346,0,0,0,0,189.8352978,363.0528976,523.5023825,673.461746,875.7556973,1139.89288,0,0,0,0,2.529045824,3.797345526,4.463666479,5.480270411,6.41522856,6.164327026,0,0,0,0,0.516208864,0.698107518,0.690818793,0.747477988,0.783197475,0.631227088,0,0,0,0,305.8151953,111.2090271,7.86049103,53.87153995,-19.59026772,-2.920773702,251.9436553,130.7992948,10.78126473,0.850226504,0.309183009,0.021853714,0.149773496,-0.054464805,-0.008120326,109.9976692,40.00041189,2.827314356,19.37687833,-7.046359437,-1.050563557,0.082146845,0.178551061,0.966780438,1.645250697,359.6867352,0,1,0,340.3421315,18.44836393,6.981872358,475.9606367,21.8165221,7.807710088,539.5784135,23.22882721,8.14113311,1.438297937,1.049065191,449.8613812,394.9927334,106.9611802,1.138910525,4.205837859,3.69286065,4.134407277,4.389230947,7.584798812,0.728047329,3.904607748,3.492895216,3.16846732,11.18985242,9.600371423,8.362736535,7.633129113,9.901339579,3.177345189,1.682803851,1.290182808,1.540262782,1.028073422,1.40269756,3.26E-08,4.21E-37,1.05E-87,5.02E-160,4.65E-254,0,0,0,0,0,0,0,0,0,0,0,0.327686671,3.492623617,0.7510435,4.341492281,0.721585455,1.886115837,0.307705479,0.565966676,0.140865553,0.04348663,0.71254889,0.090835969,0.029260869,0.009879314,2.30E-10,2.96E-39,7.37E-90,3.54E-162,3.28E-256,0,0,0,0,0,0,0,0,0,0,0,1.05781252,3.492642317,1.042890253,5.543208359,1.679539733,2.579331042,1.127561682,1.729186364,0.526423316,0.204783437,0.769235066,0.318550631,0.132028576,0.102950065,2.39E-09,3.09E-38,7.68E-89,3.69E-161,3.41E-255,0,0,0,0,0,0,0,0,0,0,0,3.685631203,3.492865592,2.949154615,10.70119866,8.754561779,7.743793437,6.945731082,9.067223349,2.908583318,1.521130165,1.233162434,1.427422732,0.931157029,1.249778272,2.90E-08,3.75E-37,9.32E-88,4.48E-160,4.14E-254,0,0,0,0,0,0,0,0,0,0,0,1.559021026,3.492666062,1.303093405,6.426398744,2.590832942,3.241905628,1.890913126,2.748113043,0.860651039,0.366971761,0.826326196,0.495103046,0.232597402,0.223621298,5.20E-09,6.70E-38,1.67E-88,8.01E-161,7.41E-255,0,0,0,0,0,0,0,0,0,0,0,4.715379333,3.493019659,4.061461773,13.07791821,13.07521365,10.90697839,10.449554,13.28787205,4.26654295,2.351028296,1.525894669,1.985430587,1.427525125,2.045702563,4.75E-08,6.13E-37,1.53E-87,7.33E-160,6.78E-254,0,0,0,0,0,0,0,0,0,0,0,2.600607385,3.386203908,1.861849295,8.045457924,4.839006396,4.918680024,3.71996943,5.312637361,1.636542112,0.846607209,1.150982387,0.866975643,0.548819194,0.585646981,1.36E-08,1.76E-37,4.37E-88,2.10E-160,1.94E-254,0,0,0,0,0,0,0,0,0,0,0,4.621272806,1.33590423,0.746594242,0.689354188,0.199276523,0.491832741,0.376293436,0.433667418,6.703771278,10.62117197,21.93410095,0.534031282,1.301793596,3.771716044,0.825314699,0.265397327,0.775685725,0.16973304,0.32795088,0.143684134,0.054514157,4.862428071,4.332892367,10.02146322,0.663528588,0.526149171,4.109103674,1.028097605,0.456548546,0.734588389,0.183793991,0.389076844,0.222922385,0.161685289,5.593749825,6.569941419,14.09240781,0.601882584,0.773684517,4.600237435,1.323262819,0.734684554,0.690914651,0.198742278,0.487375855,0.369208989,0.419894759,6.658184809,10.4392273,21.56967441,0.536371977,1.276479603,4.259503944,1.118489197,0.541736891,0.719543615,0.188942602,0.418005493,0.263823971,0.227863819,5.919730032,7.677666428,16.17834431,0.579315422,0.909693284,4.687129742,1.375481315,0.783879287,0.684603279,0.200903126,0.50591728,0.398908155,0.478230035,6.846490344,11.19941461,23.09962127,0.526904919,1.38305547,4.617212206,1.325136899,0.737077841,0.691258733,0.198390806,0.490949453,0.370267439,0.422666778,6.679426946,10.49841211,21.68760432,0.536888099,1.283883669 +UMLS0185,L,Ethylcyclopentane,CCC1CCCC1,15431,Sandia values from a vairety of sources co -optima database (which are from api report) and biocompoundML since UML source [1] seems reliable would go with these,"Sandia, UML",[1],C7H14,PubChem,,6,0,0.9094,0.82700836,34.4366,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1323.6122,1719.157786,1553.732552,720.490514,158.665248,12.192768,0,0,3823.307636,4994.447843,7070.212022,7432.711871,5369.753649,2297.464708,373.0049332,0,0,154.382624,159.970976,299.177704,368.70992,391.4498,319.759488,80.621568,0,0,28.53578067,37.90082034,56.83310387,63.27997278,52.33056464,27.58612058,5.335354858,0,0,3603.201977,3158.070517,6485.816131,8133.2882,9158.108375,8373.178602,2219.011824,0,0,36.55555556,45.19444444,71.83333333,87.58333333,84.66666667,54,12,0,0,53.10626655,60.16419091,40.93232824,29.87947215,12.86590204,3.37585634,1.016064,0,0,173.7867107,227.0203565,168.3383815,142.9367668,95.88845801,48.88222782,31.08374443,0,0,7.017392,7.271408,7.123278667,7.090575385,6.990175,6.803393362,6.718464,0,0,1.297080939,1.722764561,1.35316914,1.216922553,0.934474369,0.586938736,0.444612905,0,0,163.781908,143.5486599,154.4241936,156.4093885,163.5376496,178.1527362,184.917652,0,0,1.661616162,2.054292929,1.71031746,1.684294872,1.511904762,1.14893617,1,0,0,0.032713161,0.005659786,-0.003938683,-0.022572847,-0.021256762,0.01691306,0.008838864,0,0,616.3360458,5.47E-13,34.01854798,-312.170205,-534.2913124,312.170205,192.1047416,0,0,1146.103196,1.85E-13,63.25894262,-580.4938264,-993.5375105,580.4938264,357.2269701,0,0,0.120736,1.75E-15,0.006664,-0.061152,-0.104664,0.061152,0.037632,0,0,5.123614541,1.03E-14,0.282796906,-2.595077495,-4.441574943,2.595077495,1.596970766,0,0,27.8315555,-2.31E-14,1.536157284,-14.09650214,-24.12670558,14.09650214,8.674770547,0,0,2.595959596,-0.361111111,0.412764004,-0.704086318,-2.415977961,1.065197429,0.70523416,0,0,0.001486962,2.57E-04,-9.38E-05,-4.34E-04,-3.80E-04,3.60E-04,7.37E-04,0,0,28.01527481,2.49E-14,0.809965428,-6.003273174,-9.540916294,6.641919256,16.00872846,0,0,52.0955998,8.40E-15,1.5061653,-11.16334282,-17.74174126,12.35093248,29.76891417,0,0,0.005488,7.96E-17,1.59E-04,-0.001176,-0.001869,0.001301106,0.003136,0,0,0.23289157,4.67E-16,0.00673326,-0.049905336,-0.079313838,0.055214415,0.133080897,0,0,1.265070705,-1.05E-15,0.036575173,-0.27108658,-0.430834028,0.299925577,0.722897546,0,0,0.117998163,-0.016414141,0.009827714,-0.013540121,-0.043142464,0.022663775,0.058769513,0,0,0.173012516,-0.063066956,-0.291932975,-0.255275568,0.242005092,0.495353667,0,0,8.88E-16,0.028911565,-0.214285714,-0.340561224,0.237082067,0.571428571,0,0,1.61E-16,0.028911565,-0.214285714,-0.340561224,0.237082067,0.571428571,0,0,1.45E-14,0.028911565,-0.214285714,-0.340561224,0.237082067,0.571428571,0,0,2.00E-15,0.028911565,-0.214285714,-0.340561224,0.237082067,0.571428571,0,0,-8.30E-16,0.028911565,-0.214285714,-0.340561224,0.237082067,0.571428571,0,0,-0.139105058,0.083287011,-0.114748578,-0.365619789,0.19206888,0.498054475,0,0,1.093607207,1.336836535,1.418338675,1.059847466,0.376319795,1.17E-04,0,0,1.3125,1.080357143,1.269230769,1.252232143,0.438829787,0,0,0,1.3125,1.080357143,1.269230769,1.252232143,0.438829787,0,0,0,1.3125,1.080357143,1.269230769,1.252232143,0.438829787,0,0,0,1.3125,1.080357143,1.269230769,1.252232143,0.438829787,0,0,0,1.3125,1.080357143,1.269230769,1.252232143,0.438829787,0,0,0,1.52188716,0.797178988,1.149468722,1.464615759,0.473321467,0,0,0,27.80465723,13.90232861,19.73761932,27.80465723,3.475582153,13.90233197,-5.33E-15,0.058203148,0.007275393,-2.275052672,33.62043725,4.202554656,2.812107307,27.80465723,13.90232861,19.73761932,27.80465723,3.475582153,13.90233197,-5.33E-15,0.058203148,0.007275393,-2.275052672,33.62043725,4.202554656,2.812107307,27.80465723,13.90232861,19.73761932,27.80465723,3.475582153,13.90233197,-5.33E-15,0.058203148,0.007275393,-2.275052672,33.62043725,4.202554656,2.812107307,27.80465723,13.90232861,19.73761932,27.80465723,3.475582153,13.90233197,-5.33E-15,0.058203148,0.007275393,-2.275052672,33.62043725,4.202554656,2.812107307,27.80465723,13.90232861,19.73761932,27.80465723,3.475582153,13.90233197,-5.33E-15,0.058203148,0.007275393,-2.275052672,33.62043725,4.202554656,2.812107307,27.80465723,13.90232861,19.73761932,27.80465723,3.475582153,13.90233197,-5.33E-15,0.058203148,0.007275393,-2.275052672,33.62043725,4.202554656,2.812107307,29.60502546,14.74695717,21.37610268,29.52169212,3.690211515,14.74695857,-0.111111111,0.176071995,0.022008999,-1.389489845,41.19252536,5.14906567,2.974605453,0,11.9,12.10012615,-0.1407896,0.060073449,6.3405,8.496510112,8,22,21,21,7,1,1,0,0,1,15.304898,3.71293732,2.985292931,2.794323602,2.393164335,1.974253101,1.234636055,1.195322508,0.083923071,1.995629999,1.521421577,1.427896794,1.213238522,0.898338466,0.560687771,0.169178302,0.083923071,3.730043233,3.020112768,2.836509094,2.455854331,2.045952967,1.348293412,1.283489205,0.270913902,1.950370214,1.441819188,1.336748356,1.108071618,0.780547699,0.40782293,0.069391593,0.270913902,3.808556457,3.176550112,3.02504491,2.719840825,2.345177612,1.803388954,1.634049502,0.943918427,1.824888124,1.208294804,1.062956524,0.769952849,0.401567678,0.114544532,0.304017635,0.943918427,3.74281971,3.04596472,2.867804894,2.501480967,2.097974459,1.429723179,1.346665065,0.399277246,1.922223225,1.391077792,1.27806659,1.038665664,0.702836693,0.3046464,7.47E-04,0.399277246,3.848787061,3.254206826,3.117516791,2.840506963,2.480809789,1.998810223,1.780392538,1.207644823,1.788145951,1.136470764,0.976981992,0.654949491,0.271990714,0.304883301,0.448494359,1.207644823,3.753339859,3.085439386,2.958675847,2.588456253,2.196866629,1.532266155,1.440710852,0.6,1.910240996,1.30413227,1.18607468,0.907713319,0.589796609,0.168355165,0.110558057,0.6,0,0,0,0,2,2,4,0,0,0,0,0,0.083333333,0.166666667,0,0,0,0.0625,0.125,0.471404521,0,0.166666667,0,0.353553391,0,0.125,0,1.138071187,1.040440115,1.138071187,0.853553391,0.780330086,0.853553391,5.983127663,3.804530453,3.239024819,2.540336414,1.501661279,1.024377395,0.333333333,0.083333333,0.747890958,0.475566307,0.323902482,0.230939674,0.150166128,0.102437739,0.083333333,0.083333333,5.828427125,3.457106781,2.767766953,2.082106781,1.207106781,0.801776695,0.25,0.0625,0.728553391,0.432138348,0.276776695,0.189282435,0.120710678,0.08017767,0.0625,0.0625,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.82299,36.572,31.15378298,42.72358734,62.30756596,7.788445745,31.15378298,2.22E-16,2.78E-17,-28.83492271,41.24325189,5.155406487,2.975590007,54,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,4,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.270833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.067361111,1.161111111,0,0,0,0,0,0,0,0,0,0,4.516851852,0,5.545648148,0,0,0,0,0,0,3.270833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.635416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.243402778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.258425926,0,1.353009259,0,0,0,0,0,0,1.635416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.635416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290277778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.258425926,0,1.419814815,0,0,0,0,0,0,1.635416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.666666667,0.290277778,2.258425926,0.026041667,1.353009259,4.163094907,0.146990741,0.258425926,1.033703704,0.146990741,0.258425926,1.033703704,4,0.5,0,0,0.44545,0.7,0.43333,0.43333,0.7,0.01212,0.01212,0,0,0.71429,0,0,0.25,0.25,0,5,0.625,4,0.5,1,0.125,-3,-0.375,0,0,7.52084,0.9401,8.47399,0.95315,0.11914,3.22688,0.40336,3.80452,0.57763,0.0722,0.10948,0.01369,0.19548,0.02444,0.272727273,8,0,0,0,0,0,0,0.75,0.945660305,1.672933032,2.663532755,2.663532755,2.663532755,2.663532755,20.8045267,36.8045267,58.59772061,58.59772061,58.59772061,58.59772061,0.212058483,0.375144901,0.597280771,0.597280771,0.597280771,0.597280771,3.513771314,2.786498587,1.795898864,1.795898864,1.795898864,1.795898864,0.209052139,0.369826488,0.588813148,0.588813148,0.588813148,0.588813148,6.786633838,15.51390657,16.51225776,16.51225776,16.51225776,16.51225776,31.28312609,20.90511218,21.74036979,21.74036979,21.74036979,21.74036979,6.125,2.52,1.487603306,0,2,0,2.34,1.0842,0.333333333,2.746356192,2.828427125,0,3.965406457,4.298279727,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.329,0.4,4.016,10,11,10,10,4,1,0,0,0,62,2.302585093,2.708050201,2.890371758,2.833213344,2.890371758,1.945910149,0.693147181,0,0,0,4.48863637,1.419354839,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,1.5,1.111111111,0.375,0.222222222,0,0,0,0,0,0,0.1875,0.111111111,0.046875,0.111111111,0,0,0,0,0,0,0.456597222,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,4.44E-16,5.55E-17,-28.28040497,30.83444818,3.854306023,2.74290601,0,131.9314183,4,3.610917913,4.369447852,5.153291594,5.932245187,6.717804695,7.501634458,8.287276756,9.072341874,9.857914707,76.50287504,2.833213344,0,4.043051268,0,5.476463552,0,7.00033446,0,8.555836815,8.796490207,110.1095504,5.004979566,15.53340973,1.941676217,0,0,0,60,8,3.022,36,1.275499099,2.222167814,3.095727616,3.854731336,4.63871771,5.476807155,0,0,0,0,90.40553411,103.6177096,101.4101614,54.37132889,16.48961697,5.564786585,0,0,0,0,321.4947716,409.1233575,467.3837464,389.8419289,233.0108345,170.2396739,0,0,0,0,9.318404158,15.9040783,22.00463558,27.01757846,31.58889213,36.79573171,0,0,0,0,2.370630693,3.217496739,3.917465295,3.745576794,2.772701118,2.435059138,0,0,0,0,180.373627,337.8319774,480.3404964,624.8012631,824.0209359,1012.75832,0,0,0,0,2.705769373,3.948736216,5.335079044,5.952747197,5.384054754,5.476807155,0,0,0,0,0.489050288,0.672511154,0.827805434,0.809096425,0.62110755,0.560825053,0,0,0,0,297.2318405,117.7070795,8.380303153,55.09803736,-21.81942907,-2.634610381,242.1338032,139.5265085,11.01491353,0.843618039,0.334082026,0.023785389,0.156381961,-0.061928977,-0.007477681,104.7236581,41.47172093,2.952631187,19.41268477,-7.687636779,-0.928251954,0.078275021,0.185937935,1.906495784,0.491189773,352.3298779,0,1,0,489.7296186,22.12983548,7.882284818,625.3481237,25.00696151,8.551466861,823.0135674,28.68821304,9.371353741,1.686046537,1.686046537,435.5621875,290.8248631,177.492561,1.497678647,2.453974324,1.638518603,4.013448674,4.090360549,6.188277901,0.512893015,3.904753167,4.841208199,3.381878436,16.47429516,14.2976071,7.75889771,6.962179208,14.69338912,5.768952381,4.772189346,2.689763045,6.46E-05,2.43E-29,1.88E-75,2.82E-143,8.14E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327832077,4.265729519,0.347614182,5.724639604,4.552462624,0.457499485,1.140540382,2.929807669,0.202183007,0.143568586,0.018944222,4.55E-07,1.71E-31,1.33E-77,1.98E-145,5.73E-235,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.057957927,4.304184645,0.899835213,7.336470031,5.705351641,1.602358304,2.028977945,4.32459716,0.838466293,0.632754208,0.197413391,4.74E-06,1.78E-30,1.38E-76,2.07E-144,5.97E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.68577662,4.778025858,3.172372109,15.61017391,13.40516013,7.189680565,6.499693967,13.61719718,5.251270705,4.327647163,2.396530448,5.76E-05,2.16E-29,1.68E-75,2.51E-143,7.25E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559166434,4.354043283,1.298852001,8.615868729,6.7450894,2.490857722,2.72790396,5.580899868,1.423719038,1.103846195,0.428808264,1.03E-05,3.87E-30,3.00E-76,4.49E-144,1.30E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715524757,5.10688131,4.184553365,19.90768456,17.93785901,10.00523646,8.795009622,19.08229322,7.886537707,6.60113826,3.922766611,9.42E-05,3.54E-29,2.74E-75,4.11E-143,1.19E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.409846192,4.509475531,1.922074352,10.56369977,8.395651879,4.046632156,3.936601016,8.377456969,2.456526037,2.232877272,0.968314699,2.33E-05,8.74E-30,6.78E-76,1.01E-143,2.93E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.491666701,2.233524734,0.533336928,0.557905389,0.356876985,0.598560369,0.591046432,0.371993216,6.258528363,10.85217995,21.27005579,0.372173561,1.561600017,2.494267931,1.463899549,0.148702523,0.607340366,0.356451397,0.305472655,0.253815233,0.028648492,4.106870003,4.23994719,8.889783296,0.445687644,0.58793638,2.874067158,1.756927619,0.295221772,0.583422821,0.356648475,0.405563906,0.365640124,0.113415391,4.926216549,6.416698452,12.83364559,0.410106945,0.884619421,3.465258923,2.213144117,0.523158256,0.558772018,0.356868861,0.589541755,0.580303776,0.357868201,6.201561297,10.63982083,20.85354422,0.373461319,1.527713732,3.050090608,1.892753042,0.363103062,0.574843807,0.356722965,0.456754973,0.424385169,0.171849493,5.305946712,7.567829942,14.96999542,0.397350158,1.052989635,3.574948884,2.297800014,0.565435994,0.55527279,0.356901837,0.627450772,0.625572,0.418336929,6.438184892,11.53518121,22.61815002,0.368261939,1.671359702,3.471256072,2.217073506,0.524061151,0.558763321,0.356879276,0.591558846,0.582329133,0.359153752,6.212390729,10.67706242,20.92264342,0.373463895,1.533041732 +UMLS0186,L,"1,2-dimethylcyclohexene",CC1=C(CCCC1)C,15480,,UML,[1],C8H14,PubChem,,17.5,0,-0.8956,0.80209936,29.2515,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1670.734305,1449.939631,815.395899,344.245273,76.792464,6.096384,0,3885.475125,5223.921076,7533.504307,7736.008113,5561.508657,2962.341864,1071.022993,186.5024666,0,167.819552,174.20624,341.85978,482.900092,437.30526,308.741284,143.083584,40.310784,0,29.42500648,40.12790896,62.50794544,69.83196788,54.44248504,31.71690749,12.68152803,2.667677429,0,3973.037281,3464.315612,7399.084504,11271.42137,10553.38416,7818.039585,3724.295171,1109.505912,0,35.27777778,43.33333333,74.16666667,95.33333333,84.41666667,56,24.5,6,0,48.76541633,56.15943233,34.80696469,21.01361784,12.94279205,7.649894956,3.656784,1.016064,0,161.8947969,217.6633782,156.9480064,112.1160596,88.2779152,65.8298192,51.00109489,31.08374443,0,6.992481333,7.258593333,7.12207875,6.998552058,6.941353333,6.860917422,6.813504,6.718464,0,1.226041937,1.671996207,1.302248863,1.012057505,0.864166429,0.704820166,0.603882287,0.444612905,0,165.54322,144.3464838,154.1475938,163.3539329,167.5140344,173.734213,177.3473891,184.917652,0,1.469907407,1.805555556,1.545138889,1.381642512,1.33994709,1.244444444,1.166666667,1,0,0.032865025,-0.001666055,-0.011594894,-0.005843866,-0.007829465,0.003877311,0.002993426,0.003631031,0,645.6853813,6.61E-13,-201.7766817,-161.4213453,-201.7766817,80.71067267,80.71067267,80.71067267,0,1200.679538,0,-375.2123557,-300.1698846,-375.2123557,150.0849423,150.0849423,150.0849423,0,0.126485333,2.94E-15,-0.039526667,-0.031621333,-0.039526667,0.015810667,0.015810667,0.015810667,0,5.367596186,1.23E-14,-1.677373808,-1.341899046,-1.677373808,0.670949523,0.670949523,0.670949523,0,29.15686767,-1.14E-13,-9.111521147,-7.289216918,-9.111521147,3.644608459,3.644608459,3.644608459,0,1.828703704,-0.347222222,-0.601851852,0.052662037,-0.337384259,0.071180556,0.052662037,0.195601852,0,0.001369376,-6.94E-05,-2.42E-04,-8.47E-05,-1.24E-04,8.62E-05,1.43E-04,6.05E-04,0,26.90355756,2.75E-14,-4.203680868,-2.339439787,-3.202804471,1.793570504,3.843365365,13.45177878,0,50.0283141,0,-7.816924078,-4.350288182,-5.955751678,3.33522094,7.146902014,25.01415705,0,0.005270222,1.22E-16,-8.23E-04,-4.58E-04,-6.27E-04,3.51E-04,7.53E-04,0.002635111,0,0.223649841,5.11E-16,-0.034945288,-0.019447812,-0.026624981,0.014909989,0.031949977,0.111824921,0,1.214869486,-4.74E-15,-0.189823357,-0.105640825,-0.14462732,0.080991299,0.173552784,0.607434743,0,0.076195988,-0.014467593,-0.01253858,7.63E-04,-0.005355306,0.00158179,0.002507716,0.032600309,0,-0.050693872,-0.17640172,-0.061848398,-0.090754632,0.062920968,0.104094184,0.44193255,0,1.02E-15,-0.15625,-0.086956522,-0.119047619,0.066666667,0.142857143,0.5,0,0,-0.15625,-0.086956522,-0.119047619,0.066666667,0.142857143,0.5,0,2.32E-14,-0.15625,-0.086956522,-0.119047619,0.066666667,0.142857143,0.5,0,2.29E-15,-0.15625,-0.086956522,-0.119047619,0.066666667,0.142857143,0.5,0,-3.90E-15,-0.15625,-0.086956522,-0.119047619,0.066666667,0.142857143,0.5,0,-0.189873418,-0.164556962,0.010016511,-0.070283303,0.020759494,0.032911392,0.427848101,0,1.489122222,1.312816003,1.010163939,1.001251096,0.723011392,0.566900348,0.004224615,0,1.4375,1.34765625,1.0625,0.992559524,0.670833333,0.513392857,0,0,1.4375,1.34765625,1.0625,0.992559524,0.670833333,0.513392857,0,0,1.4375,1.34765625,1.0625,0.992559524,0.670833333,0.513392857,0,0,1.4375,1.34765625,1.0625,0.992559524,0.670833333,0.513392857,0,0,1.4375,1.34765625,1.0625,0.992559524,0.670833333,0.513392857,0,0,1.688607595,1.135443038,0.802531646,1.045328511,0.943291139,0.823508137,0,0,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,36.08995721,17.89017551,26.87195345,36.04308221,4.505385276,17.89017558,-0.09375,0.061027138,0.007628392,-2.237149297,50.07914531,6.259893164,3.130883728,0,11.9,12.10012615,-0.151273816,0.048868363,5.483683559,8.440005411,8,24,24,24,8,0,0,0,0,0,17.491312,3.638638944,3.100978895,2.750129472,2.552099332,1.716672328,1.456797487,1.243289836,0.880330962,2.002253948,1.648590297,1.372874417,1.256911807,0.816601941,0.666206401,0.560038642,0.34407524,3.663136432,3.138355093,2.792995694,2.602603315,1.804832855,1.556142907,1.35571534,1.01303218,1.948817412,1.57043837,1.285229005,1.161173652,0.682374106,0.522081792,0.407714027,0.181674237,3.770748098,3.302851471,2.981537655,2.821160048,2.16948975,1.9628467,1.806651079,1.526992008,1.792228366,1.335571047,1.018928274,0.863796018,0.237288442,0.037619229,0.111876679,0.382625301,3.681174793,3.165923945,2.824624264,2.639679926,1.868680449,1.62787375,1.436300009,1.106883605,1.914853167,1.520179056,1.228596505,1.098791895,0.592726987,0.425347018,0.304963532,0.071464617,3.823158968,3.38252605,3.072480534,2.924462786,2.331931225,2.141548494,2.000733801,1.741325713,1.743488171,1.261232024,0.933903671,0.766506013,0.080989445,0.135164289,0.30076327,0.593182778,3.68982186,3.277623729,2.872367319,2.74133094,2.021881544,1.76481714,1.589106111,1.273980694,1.885854115,1.399854449,1.143195518,0.960854844,0.406220799,0.250745698,0.11803023,0.123015505,0,0,0,0,0,1,6,1,0,0,0,0,0.102062073,0.072168784,0,0,0,0.102062073,0.072168784,0.204124145,0,0,0,0.204124145,0,0,0,0.49279928,0.594861352,0.49279928,0.49279928,0.594861352,0.49279928,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.9767,36.866,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,1,0,6,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,2.315462963,0,8.931064815,0,0,0,1.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.315462963,0,1.416666667,0,0,0,1.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.315462963,0,1.510416667,0,0,0,1.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.33333333,1.541666667,0.2,2.315462963,0.2,1.086805556,5.766945602,0.246527778,0.315462963,0.672592593,0.246527778,0.315462963,0.672592593,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.125,0.125,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.02289,1.00286,8.02289,0,0,3.93185,0.49148,3.93185,0,0,-0.01785,-0.00223,0.06815,0.00852,0.25,8,0,0,0,0,0,0,1,0.918295834,1.272055209,2.177694271,2.803508855,3.022055209,2.621653522,22.03910002,30.52932501,52.26466251,67.28421252,72.52932501,62.91968454,0.200284263,0.277440701,0.474964467,0.611457314,0.659123212,0.571793885,3.666666667,3.312907292,2.40726823,1.781453646,1.562907292,1.963308978,0.200284263,0.277440701,0.474964467,0.611457314,0.659123212,0.571793885,6.73287657,10.97798907,14.41423191,16.87697267,15.8354706,13.2084235,31.59900002,26.53208126,23.53333386,20.31328386,21.55213073,25.91927858,6.125,3.111111111,1.8,2,0,2,2.34,1.1272,0,2.00414513,0.5,0,7.732315986,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,3.894,9,10,10,10,4,2,0,0,0,61,2.197224577,2.302585093,2.397895273,2.397895273,2.397895273,1.609437912,1.098612289,0,0,0,4.127134385,1,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,2,0.25,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,0,134.567877,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,112.1252005,4.671883355,15.69266546,1.961583183,0,0,0,64,7,4.491,34,1.224166127,2.09537562,2.804834728,3.523444903,4.011401076,4.603236608,5.359741897,0,0,0,78.54273178,80.84874126,62.70646424,47.75628327,32.73388417,17.49019423,5.445840791,0,0,0,289.3400736,350.3255304,329.6663809,316.3518511,273.0975439,239.7266082,166.6008473,0,0,0,8.917064339,14.9674467,19.68213687,24.4661223,27.55517836,31.38782208,36.00923299,0,0,0,2.17096299,2.856190846,2.94495335,3.074689391,2.892108438,2.819447784,2.383010414,0,0,0,174.752874,319.8998773,454.1517758,589.6546239,694.3347566,814.4881079,991.1108871,0,0,0,2.26269873,3.307614664,3.947346105,4.726698278,5.046382926,5.425946435,5.359741897,0,0,0,0.449298446,0.600529567,0.629752844,0.666959671,0.636627062,0.630335141,0.54883757,0,0,0,333.4456336,138.8618521,8.651530001,82.80429929,-34.48345759,-4.414359259,250.6413343,173.3453097,13.06588926,0.80107072,0.333602101,0.02078446,0.19892928,-0.082843155,-0.010605069,138.7967226,57.80123662,3.601198782,34.46728402,-14.35373691,-1.837476745,0.071732167,0.155914138,1.261555649,1.235628924,416.2499329,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,939.6153436,30.65314574,9.79452472,1.415868361,1.241251818,355.1804338,291.6071816,145.3204218,1.218009899,2.444119206,2.006649706,3.71989429,3.779648656,6.126310731,0.620867781,5.243051683,6.014024931,8.513915367,13.18809304,17.55879253,12.43889378,9.700408074,7.298739803,6.162004989,0.651560198,1.479305349,8.62E-07,7.06E-34,1.12E-82,3.40E-153,2.00E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380612772,5.574192587,0.653170922,4.643853419,0.976697237,1.702879483,1.183325619,0.799535726,0.266661521,0.007844858,0.010418869,6.07E-09,4.97E-36,7.86E-85,2.40E-155,1.41E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.266797814,5.603583911,2.124525578,5.393484148,3.427454621,3.385652578,1.940256922,1.451372632,1.025859602,0.056185781,0.108572643,6.32E-08,5.18E-35,8.19E-84,2.50E-154,1.47E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.907756237,5.965735494,7.985567707,12.31322416,16.21322965,11.60168985,8.831745494,6.662145119,5.643964643,0.582770263,1.318034433,7.68E-07,6.29E-34,9.94E-83,3.03E-153,1.78E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.906711325,5.641690531,3.17411155,6.203349214,5.387147199,4.691860079,2.751319974,2.099197116,1.678907721,0.114031088,0.235834289,1.37E-07,1.13E-34,1.78E-83,5.42E-154,3.19E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.527214959,6.217075305,10.52364848,16.8267774,22.91597208,15.74300603,13.3109542,9.926809821,8.258486401,0.939619583,2.157427824,1.26E-06,1.03E-33,1.63E-82,4.96E-153,2.92E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.301511198,5.560300223,5.236860804,8.436831646,9.662088603,7.782191242,5.078698126,4.016452652,3.361698908,0.283109622,0.622410432,3.63E-07,2.97E-34,4.70E-83,1.43E-153,8.42E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.889365727,1.485315347,0.834371974,0.554681571,0.285141144,0.50704049,0.542585153,0.434089471,5.209053049,7.941730544,16.73159043,0.332022356,1.483715113,2.241579503,0.932625616,0.366139398,0.63315293,0.263427927,0.306404037,0.213186479,0.083386356,3.540344517,3.252756015,7.558534884,0.449729395,0.602976873,2.498542509,1.152109781,0.552449091,0.594452116,0.274109444,0.37996846,0.325837073,0.1902391,4.203101381,4.895394803,10.68877352,0.391678174,0.896044633,2.873297956,1.471630168,0.822812403,0.556006622,0.284772457,0.501454206,0.53259703,0.422162277,5.167740527,7.803492705,16.45043949,0.334009934,1.456213513,2.613220814,1.249955745,0.635342836,0.580906868,0.277859366,0.415352855,0.38376552,0.251715999,4.498519395,5.72085192,12.29466174,0.371360302,1.050834374,2.939678728,1.528160414,0.870552383,0.550667502,0.286258587,0.524733949,0.57445701,0.4724786,5.338391524,8.381788671,17.63096324,0.326001254,1.571669558,2.882852765,1.474154767,0.82555369,0.556260243,0.28444522,0.504634157,0.534419918,0.424939618,5.182561222,7.846714793,16.53769027,0.334390365,1.463993693 +UMLS0187,L,Ethylcyclohexane,CCC1CCCCC1,15504,,"Sandia, UML",[9],C8H16,PubChem,,5.7,0,-0.64,0.4096,33.7033,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,1864.442842,1646.69636,1133.218637,728.614155,338.148889,76.792464,6.096384,4371.159516,5876.91121,8447.051418,8742.806458,6793.434416,4696.184854,2775.839397,1071.022993,186.5024666,188.796996,195.98202,384.589288,545.784992,500.213876,374.044908,268.4305,143.083584,40.310784,33.10313229,45.14389758,70.19563559,78.85349674,64.47043818,45.75844906,29.04923006,12.68152803,2.667677429,4469.666941,3897.355064,8323.286703,12750.37653,12037.80623,9111.691027,6708.533673,3724.295171,1109.505912,39.52777778,48.58333333,83.5,107.1666667,94.91666667,72.25,50,24.5,6,48.76541633,56.15943233,34.5267193,21.11149179,15.73914774,13.49285472,8.670484333,3.656784,1.016064,161.8947969,217.6633782,156.4268781,112.0872623,94.35325577,86.96638618,71.17536916,51.00109489,31.08374443,6.992481333,7.258593333,7.122023852,6.997243487,6.947414944,6.926757556,6.882833333,6.813504,6.718464,1.226041937,1.671996207,1.299919178,1.010942266,0.895422753,0.847378686,0.744852053,0.603882287,0.444612905,165.54322,144.3464838,154.134939,163.4663657,167.1917532,168.735019,172.0136839,177.3473891,184.917652,1.46399177,1.799382716,1.546296296,1.373931624,1.318287037,1.337962963,1.282051282,1.166666667,1,0.037069505,-0.00163772,-0.013958174,-0.007365088,-0.001077498,-3.91E-04,-6.90E-04,0.002954977,0.003629962,726.396054,7.32E-13,-242.132018,-161.4213453,-80.71067267,-40.35533633,-5.01E-13,80.71067267,80.71067267,1350.764481,-5.26E-13,-450.2548269,-300.1698846,-150.0849423,-75.04247115,7.11E-15,150.0849423,150.0849423,0.142296,2.04E-15,-0.047432,-0.031621333,-0.015810667,-0.007905333,-1.12E-15,0.015810667,0.015810667,6.038545709,1.65E-14,-2.01284857,-1.341899046,-0.670949523,-0.335474762,-9.33E-15,0.670949523,0.670949523,32.80147613,-2.00E-13,-10.93382538,-7.289216918,-3.644608459,-1.822304229,1.11E-13,3.644608459,3.644608459,1.995884774,-0.345679012,-0.602880658,-0.363625972,0.268175583,-0.062757202,-0.129858253,0.046410608,0.192272519,0.001372945,-6.07E-05,-2.58E-04,-9.44E-05,-1.50E-05,-7.24E-06,-1.77E-05,1.41E-04,6.05E-04,26.90355756,2.71E-14,-4.483926259,-2.069504427,-1.120981565,-0.747321043,-1.28E-14,3.843365365,13.45177878,50.0283141,-1.95E-14,-8.33805235,-3.848331854,-2.084513087,-1.389675392,1.82E-16,7.146902014,25.01415705,0.005270222,7.55E-17,-8.78E-04,-4.05E-04,-2.20E-04,-1.46E-04,-2.88E-17,7.53E-04,0.002635111,0.223649841,6.11E-16,-0.037274974,-0.017203834,-0.009318743,-0.006212496,-2.39E-16,0.031949977,0.111824921,1.214869486,-7.40E-15,-0.202478248,-0.093451499,-0.050619562,-0.033746375,2.85E-15,0.173552784,0.607434743,0.073921658,-0.012802926,-0.011164457,-0.004661871,0.003724661,-0.00116217,-0.003329699,0.002210029,0.03204542,-0.044179719,-0.18827031,-0.068774959,-0.010900115,-0.005272312,-0.012892493,0.102490081,0.440654094,1.01E-15,-0.166666667,-0.076923077,-0.041666667,-0.027777778,-4.77E-16,0.142857143,0.5,-3.89E-16,-0.166666667,-0.076923077,-0.041666667,-0.027777778,3.64E-18,0.142857143,0.5,1.43E-14,-0.166666667,-0.076923077,-0.041666667,-0.027777778,-5.47E-15,0.142857143,0.5,2.73E-15,-0.166666667,-0.076923077,-0.041666667,-0.027777778,-1.07E-15,0.142857143,0.5,-6.09E-15,-0.166666667,-0.076923077,-0.041666667,-0.027777778,2.34E-15,0.142857143,0.5,-0.173195876,-0.151030928,-0.063065028,0.050386598,-0.015721649,-0.045043616,0.029896907,0.433505155,1.490006862,1.335971829,1.014712935,0.899664261,0.922097328,0.844236315,0.569520263,0.004250454,1.444444444,1.364197531,1.055555556,0.93287037,0.882716049,0.777777778,0.515873016,0,1.444444444,1.364197531,1.055555556,0.93287037,0.882716049,0.777777778,0.515873016,0,1.444444444,1.364197531,1.055555556,0.93287037,0.882716049,0.777777778,0.515873016,0,1.444444444,1.364197531,1.055555556,0.93287037,0.882716049,0.777777778,0.515873016,0,1.444444444,1.364197531,1.055555556,0.93287037,0.882716049,0.777777778,0.515873016,0,1.675257732,1.145876289,0.888402062,0.751353093,1.08556701,1.127319588,0.852945508,0,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,47.01947686,23.35246984,35.77305197,46.9671792,5.218575466,23.35246984,-0.094135802,0.102001372,0.011333486,-2.054492115,60.42094305,6.713438117,3.691202206,0,11.9,12.1001487,-0.15127037,0.048894141,5.305339789,8.754380452,9,27,27,27,9,0,0,0,0,0,19.677726,3.647140482,3.219455432,2.750129472,2.750129472,2.139618252,1.456797487,1.456797487,1.217470913,2.00709515,1.732765063,1.372874417,1.372874417,1.042600721,0.666206401,0.666206401,0.554117655,3.671375225,3.254744234,2.792995694,2.792995694,2.208065273,1.556142907,1.556142907,1.333166878,1.954149085,1.659580172,1.285229005,1.285229005,0.92664415,0.522081792,0.522081792,0.40079495,3.777847985,3.409272454,2.981537655,2.981537655,2.498084193,1.9628467,1.9628467,1.793350348,1.799105768,1.439907919,1.018928274,1.018928274,0.553346211,0.037619229,0.037619229,0.124006526,3.689220616,3.280722665,2.824624264,2.824624264,2.258008815,1.62787375,1.62787375,1.415821611,1.920507121,1.612560919,1.228596505,1.228596505,0.850035057,0.425347018,0.425347018,0.297260455,3.829719829,3.483840753,3.072480534,3.072480534,2.631210132,2.141548494,2.141548494,1.990035365,1.750873166,1.37026739,0.933903671,0.933903671,0.426596575,0.135164289,0.135164289,0.315806421,3.695193978,3.381381152,2.909049071,2.875016701,2.395729905,1.775724201,1.76714593,1.576445279,1.8929542,1.502701124,1.140639906,1.111884327,0.677472207,0.248510677,0.241059616,0.105111035,0,0,0,0,0,1,7,1,0,0,0,0,0.102062073,0.072168784,0,0,0,0.102062073,0.072168784,0.204124145,0,0,0,0.204124145,0,0,0,0.433012702,0.65464793,0.637136847,0.433012702,0.65464793,0.637136847,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.3668,41.483,37.50463196,54.26687178,75.00926391,8.334362657,37.50463196,0.136437528,0.015159725,-1.792699594,35.3218919,3.924654656,3.208052645,81,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,1,0,7,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,2.300204082,0,10.43243481,0,0,0,1.100694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.300204082,0,1.393518519,0,0,0,1.100694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.300204082,0,1.521666667,0,0,0,1.100694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.83333333,1.537037037,0.2,2.300204082,0.2,1.100694444,6.489916879,0.232638889,0.300204082,0.706018519,0.232638889,0.300204082,0.706018519,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.11111,0.11111,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,9.45555,1.05062,9.45555,0,0,4.43185,0.49243,4.43185,0,0,-0.01785,-0.00198,0.06815,0.00757,0.222222222,9,0,0,0,0,0,0,1,0.918295834,1.247104744,2.252382635,3.105653242,3.259904985,2.875076854,24.79398752,33.67182808,60.81433114,83.85263755,88.01743458,77.62707506,0.193126721,0.262278496,0.473698407,0.653149678,0.68559035,0.604657177,3.836591668,3.507782759,2.502504867,1.64923426,1.494982518,1.879810648,0.193126721,0.262278496,0.473698407,0.653149678,0.68559035,0.604657177,6.73287657,10.67858349,15.82059603,17.80210667,16.63642306,15.43434845,35.54887502,30.33929922,23.96075827,21.47958936,22.91350502,25.1084403,7.111111111,3.92,2.380165289,3,0,3,2.45,1.2681,0,2.085481947,0.333333333,0,9.563073858,4.445544946,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,4.393,10,11,12,12,6,4,2,0,0,75,2.302585093,2.397895273,2.48490665,2.564949357,2.564949357,1.945910149,1.609437912,1.098612289,0,0,4.33073334,1,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.222222222,3,0.333333333,1,3,6,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.04,0,0,0,0,0.111111111,0.044444444,0.0234375,0.030222222,0.030092593,0.04,0,0,0,0,0.27930787,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,0,151.8638616,4.169925001,3.663561646,4.394449155,5.153291594,5.905361848,6.673297968,7.430707083,8.200562797,8.959440144,9.729669736,78.11034197,2.944438979,0,4.077537444,0,5.433722004,0,6.886531643,0,8.379997952,8.639410824,126.1408506,4.671883355,17.70058553,1.966731726,0,0,0,94,8,5.06,38,1.22699952,2.102660164,2.813249694,3.536616865,4.185726271,4.839380925,5.818571873,7.033430929,0,0,78.95148878,80.48584787,64.39716888,60.70102619,62.9354078,47.71045708,22.94728141,7.146415963,0,0,290.5400635,350.354845,332.9214789,348.6513742,384.5054268,368.9167075,309.3494916,218.6253695,0,0,8.938429587,15.01941066,19.73815481,24.60655538,29.04818235,33.39656385,39.70496709,47.25385249,0,0,2.17886504,2.860848416,2.961447741,3.259816517,3.678166202,3.778504474,3.61445623,3.127154156,0,0,175.1121323,320.9783708,455.8527342,588.6551804,702.2255793,825.6393825,1027.121011,1300.605533,0,0,2.261871093,3.321809198,3.941138566,4.732459675,5.708772528,6.371511819,6.901467372,7.033430929,0,0,0.45089223,0.601650815,0.632926132,0.703073914,0.796354051,0.826845369,0.807168253,0.720223327,0,0,362.4255168,170.0609301,9.36471338,84.31383456,-39.56258172,-4.515393867,278.1116822,209.6235118,13.88010725,0.811268396,0.38067148,0.020962365,0.188731604,-0.088558533,-0.010107446,161.9097403,75.97290959,4.183585981,37.66630776,-17.67416209,-2.017204127,0.063677283,0.138863406,1.119894183,1.310120061,446.7393514,0,1,0,620.8036052,24.91593075,8.530701456,795.1702547,28.19876335,9.264458536,1065.609694,32.64367771,10.21408312,1.491001818,1.442559414,546.8135834,492.8780426,159.6464513,1.10942979,3.425153387,3.087309731,4.178127543,4.301363014,7.285318514,0.693723243,5.020829967,7.856395922,8.518371581,14.92374289,18.49787271,9.022398136,12.29566,13.32567637,7.129792284,3.638205135,3.06210891,2.372835368,2.305700509,0.009974898,6.57E-23,8.36E-65,2.05E-128,9.70E-214,8.85E-321,0,0,0,0,0,0,0,0,0,0,0,0.421931389,6.528963271,0.638477052,5.643913548,1.008805835,1.546618387,1.774232507,1.959061803,0.452720353,0.225986165,0.592521029,0.142877237,0.016240519,7.03E-05,4.63E-25,5.88E-67,1.44E-130,6.83E-216,6.4E-323,0,0,0,0,0,0,0,0,0,0,0,1.360664627,6.6176658,2.087020611,6.46141896,3.561878299,2.795232573,2.822443568,3.777129059,1.257080305,0.781454234,0.957803412,0.498295397,0.169228667,7.32E-04,4.82E-24,6.13E-66,1.50E-129,7.12E-215,6.47E-322,0,0,0,0,0,0,0,0,0,0,0,4.739288689,7.710655744,7.979398902,13.97473562,17.06748771,8.466618364,11.2626015,12.45219363,6.523422178,3.379416761,2.861815014,2.201025789,2.054338526,0.008887455,5.85E-23,7.44E-65,1.83E-128,8.64E-214,7.885E-321,0,0,0,0,0,0,0,0,0,0,0,2.005075568,6.732672521,3.128881212,7.342306977,5.616397099,3.73471857,3.868453085,5.174259446,1.975100016,1.20464292,1.249774815,0.771900769,0.367584122,0.001590221,1.05E-23,1.33E-65,3.27E-129,1.55E-214,1.413E-321,0,0,0,0,0,0,0,0,0,0,0,6.063250599,8.46921352,10.57817714,18.86997618,24.20237601,11.19160597,16.56222764,16.76147161,9.599272976,4.653033769,3.859464926,3.049041618,3.362643317,0.014547452,9.58E-23,1.22E-64,2.99E-128,1.41E-213,1.2905E-320,0,0,0,0,0,0,0,0,0,0,0,3.345420989,6.875533994,5.118684202,9.69545247,10.04870925,5.674050906,6.713307382,8.425553634,3.986995032,2.092770559,2.165202268,1.514665477,0.975972031,0.00422221,2.78E-23,3.54E-65,8.68E-129,4.10E-214,3.745E-321,0,0,0,0,0,0,0,0,0,0,0,4.3022739,1.38364657,0.877642221,0.65547845,0.210807245,0.478784388,0.511651514,0.407214877,6.56356269,10.94303039,22.73104497,0.483217675,1.397650779,3.501241792,0.847000919,0.419961299,0.734289427,0.17763521,0.317579078,0.191438602,0.093133508,4.768204011,4.791648674,10.80527102,0.601434141,0.602151188,3.819255417,1.060153892,0.601852894,0.69678393,0.193414191,0.377621766,0.30011216,0.191426803,5.481262203,6.985685108,14.90384877,0.545175894,0.869160729,4.282430217,1.370362132,0.866322319,0.656903649,0.210206784,0.474391414,0.50185726,0.396777849,6.519114668,10.76562038,22.36873043,0.485355474,1.373026523,3.961064958,1.155158396,0.682878235,0.683048037,0.199196096,0.406075155,0.356406884,0.24648775,5.799101588,8.069415015,16.99313348,0.524572056,1.008969789,4.364402807,1.425236192,0.913078583,0.651139296,0.212635573,0.492669788,0.542927876,0.440760226,6.702717581,11.50670021,23.88904491,0.476708944,1.47635789,4.300435464,1.37262968,0.868564861,0.657395093,0.209829917,0.47833197,0.503496387,0.39883673,6.541630005,10.83033039,22.49901656,0.486092639,1.380665087 +UMLS0188,L,n-Propylcyclohexane,CCCC1CCCCC1,15505,,"Sandia, UML",[1],C9H18,PubChem,,3.8,0,0.6234,0.38862756,37.4211,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,2106.57486,2142.986675,1207.898164,309.116304,27.433728,0,0,4371.159516,5876.91121,8897.306245,10422.02316,8466.260353,4087.991143,839.2610996,0,0,188.796996,195.98202,384.63672,550.646156,627.5092,512.267328,181.398528,0,0,33.10313229,45.14389758,72.20848416,89.89994645,82.16994867,47.39352737,12.00454843,0,0,4469.666941,3897.355064,8334.220529,12385.23601,14852.13539,13201.12671,4992.776605,0,0,42.08333333,51.05555556,84.36111111,120.6666667,132.5,91.5,27,0,0,48.76541633,56.15943233,39.01064556,27.47418814,13.42109071,4.12155072,1.016064,0,0,161.8947969,217.6633782,164.7649305,133.6156816,94.06955948,54.50654857,31.08374443,0,0,6.992481333,7.258593333,7.122902222,7.059566103,6.972324444,6.83023104,6.718464,0,0,1.226041937,1.671996207,1.337194151,1.152563416,0.91299943,0.631913698,0.444612905,0,0,165.54322,144.3464838,154.3374172,158.7850771,165.0237265,176.0150228,184.917652,0,0,1.558641975,1.890946502,1.562242798,1.547008547,1.472222222,1.22,1,0,0,0.03579306,-0.004785703,-0.001632442,-0.005905204,-0.025738089,0.004252174,0.015912733,0,0,726.396054,6.89E-13,6.36E-13,-282.4873543,-605.330045,161.4213453,363.198027,0,0,1350.764481,-6.39E-13,-7.89E-13,-525.297298,-1125.637067,300.1698846,675.3822403,0,0,0.142296,2.04E-15,2.05E-15,-0.055337333,-0.11858,0.031621333,0.071148,0,0,6.038545709,1.66E-14,1.71E-14,-2.348323331,-5.032121424,1.341899046,3.019272855,0,0,32.80147613,-2.00E-13,-1.96E-13,-12.75612961,-27.33456344,7.289216918,16.40073807,0,0,2.962962963,-1.305555556,0.101851852,0.764403292,-1.913580247,-0.248971193,1.12037037,0,0,0.001325669,-1.77E-04,-3.02E-05,-7.57E-05,-2.86E-04,5.67E-05,5.89E-04,0,0,26.90355756,2.55E-14,1.18E-14,-3.621632748,-6.725889389,2.152284604,13.45177878,0,0,50.0283141,-2.37E-14,-1.46E-14,-6.734580744,-12.50707852,4.002265128,25.01415705,0,0,0.005270222,7.56E-17,3.79E-17,-7.09E-04,-0.001317556,4.22E-04,0.002635111,0,0,0.223649841,6.15E-16,3.17E-16,-0.030106709,-0.05591246,0.017891987,0.111824921,0,0,1.214869486,-7.40E-15,-3.63E-15,-0.163540123,-0.303717372,0.097189559,0.607434743,0,0,0.109739369,-0.048353909,0.001886145,0.009800042,-0.021262003,-0.003319616,0.041495199,0,0,-0.133704761,-0.022803889,-0.05710909,-0.215724126,0.042767582,0.444575933,0,0,9.49E-16,4.38E-16,-0.134615385,-0.25,0.08,0.5,0,0,-4.73E-16,-2.92E-16,-0.134615385,-0.25,0.08,0.5,0,0,1.43E-14,7.19E-15,-0.134615385,-0.25,0.08,0.5,0,0,2.75E-15,1.42E-15,-0.134615385,-0.25,0.08,0.5,0,0,-6.09E-15,-2.99E-15,-0.134615385,-0.25,0.08,0.5,0,0,-0.440625,0.0171875,0.089302885,-0.19375,-0.03025,0.378125,0,0,1.580094217,1.092623022,1.123730329,1.228780328,0.680255318,0.002795143,0,0,1.444444444,1.203703704,1.222222222,1.17962963,0.606666667,0,0,0,1.444444444,1.203703704,1.222222222,1.17962963,0.606666667,0,0,0,1.444444444,1.203703704,1.222222222,1.17962963,0.606666667,0,0,0,1.444444444,1.203703704,1.222222222,1.17962963,0.606666667,0,0,0,1.444444444,1.203703704,1.222222222,1.17962963,0.606666667,0,0,0,1.986111111,0.794444444,0.8953125,1.356875,0.833625,0,0,0,37.29808014,18.64904007,25.47746719,37.29808014,4.144231127,18.6490401,0,1.11E-16,1.23E-17,-33.06312051,5000010.414,555556.7126,13.8824555,37.29808014,18.64904007,25.47746719,37.29808014,4.144231127,18.6490401,0,1.11E-16,1.23E-17,-33.06312051,5000010.414,555556.7126,13.8824555,37.29808014,18.64904007,25.47746719,37.29808014,4.144231127,18.6490401,0,1.11E-16,1.23E-17,-33.06312051,5000010.414,555556.7126,13.8824555,37.29808014,18.64904007,25.47746719,37.29808014,4.144231127,18.6490401,0,1.11E-16,1.23E-17,-33.06312051,5000010.414,555556.7126,13.8824555,37.29808014,18.64904007,25.47746719,37.29808014,4.144231127,18.6490401,0,1.11E-16,1.23E-17,-33.06312051,5000010.414,555556.7126,13.8824555,37.29808014,18.64904007,25.47746719,37.29808014,4.144231127,18.6490401,0,1.11E-16,1.23E-17,-33.06312051,5000010.414,555556.7126,13.8824555,45.92950423,22.75802445,31.78630436,45.78289929,5.08698881,22.75802445,-0.263888889,0.004638837,5.15E-04,-4.835962372,54.91354592,6.101505102,3.60518405,0,11.89,12.11013444,-0.160702126,0.060689868,6.3109375,9.073406015,9,27,27,27,9,0,0,0,0,0,19.677726,3.697876488,3.042364541,2.96306642,2.560937789,2.17548746,1.856050953,1.281558061,1.099508061,2.02701222,1.585950347,1.533536696,1.357829012,1.066605404,0.846202261,0.565874974,0.413035098,3.719501515,3.078435564,3.001583803,2.620584956,2.243749091,1.934711109,1.389893753,1.209688389,1.977518183,1.506815679,1.451642361,1.253683762,0.952794097,0.723533078,0.416145532,0.259521562,3.815397651,3.239284907,3.172090024,2.873959757,2.531187307,2.260401738,1.827561338,1.656579633,1.834723275,1.271648566,1.206159919,0.922499658,0.585704835,0.321192013,0.092935908,0.262056834,3.735471952,3.105160529,3.030053775,2.66411292,2.293440723,1.991656529,1.467762475,1.289020676,1.946259971,1.45612622,1.399013035,1.18521397,0.877571657,0.64197557,0.31524636,0.156092313,3.862661906,3.318282267,3.255121567,2.991087481,2.662420938,2.406242646,2.017120106,1.850629028,1.790961792,1.19828528,1.128818232,0.811320193,0.460560939,0.18119733,0.277081339,0.450448455,3.711227547,3.185821029,3.087858048,2.856869201,2.399668944,2.10266796,1.581134143,1.390915633,1.957768985,1.364912791,1.321309731,0.982772417,0.736786313,0.501146309,0.165186161,0.012637536,0,0,0,0,0,3,3,3,0,0,0,0,0.068041382,0.204124145,0,0,0,0.068041382,0.204124145,0.663854611,0,0.272165527,0,0.663854611,0,0.272165527,0,1.733969088,1.979392051,2.190389772,1.733969088,1.979392051,2.190389772,6.853371151,4.215214055,3.744588185,3.114068787,1.848425766,1.072102901,0.526099421,0.136082763,0.761485683,0.468357117,0.312049015,0.222433485,0.142186597,0.089341908,0.07515706,0.068041382,6.853371151,4.215214055,3.744588185,3.114068787,1.848425766,1.072102901,0.526099421,0.136082763,0.761485683,0.468357117,0.312049015,0.222433485,0.142186597,0.089341908,0.07515706,0.068041382,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.0786,41.343,36.67290345,48.67889424,73.3458069,8.1495341,36.67290345,0.016616204,0.001846245,-3.687639223,421.5163183,46.83514647,5.439472642,63,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,7.175740741,0,4.392546296,0,0,0,2.931712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.389212963,0,1.463796296,0,0,0,0.971064815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.397314815,0,1.464953704,0,0,0,0.980324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.5,1.611111111,0.2,2.397314815,0.2,0.971064815,6.463105324,0.362268519,0.397314815,2.351481481,0.362268519,0.397314815,2.351481481,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.33333,0.33333,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,10.4931,1.1659,10.4931,0,0,4.21519,0.46835,4.21519,0,0,0.19881,0.02209,0.28481,0.03165,0.222222222,9,0,0,0,0,0,0,1,0.918295834,1.446616668,2.623447687,2.809356946,2.953806373,3.263603706,24.79398752,39.05865003,70.83308754,75.85263755,79.75277208,88.11730005,0.193126721,0.304237833,0.551737067,0.590835629,0.621214776,0.686368227,3.836591668,3.308270835,2.131439816,1.945530556,1.801081129,1.491283797,0.193126721,0.304237833,0.551737067,0.590835629,0.621214776,0.686368227,6.73287657,13.07272657,16.50189266,15.36811428,17.95639958,17.4543859,35.54887502,26.03910002,23.8332514,25.20323242,21.39827215,21.27841992,7.111111111,2.722222222,1.469387755,0,0,0,2.45,1.2681,0.908560296,2.9826782,5.181129588,0,2.381101578,4.585756412,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.124,0.16,0.203,3.937,12,14,13,12,7,2,0,0,0,78,2.302585093,2.564949357,2.708050201,2.63905733,2.564949357,2.079441542,1.098612289,0,0,0,4.369447852,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,4,0.333333333,2,1.555555556,0.6875,0.333333333,0,0,0,0,0,0,0.222222222,0.12962963,0.0625,0.083333333,0,0,0,0,0,0,0.497685185,18.64904007,25.47746719,37.29808014,4.144231127,18.6490401,1.11E-16,1.23E-17,-33.06312051,5000010.414,555556.7126,13.8824555,0,151.8638616,4.169925001,3.761200116,4.553876892,5.370638028,6.180016654,7.00033446,7.812378206,8.633552993,9.446123704,10.26747073,81.02559178,2.944438979,0,4.204692619,0,5.686975356,0,7.263329617,0,8.876125585,9.101863896,126.1408506,4.671883355,17.38253322,1.931392579,0,0,0,82,11,4.938,42,1.22699952,2.101574372,2.829134171,3.489015791,4.182366806,4.990189157,0,0,0,0,78.95148878,90.39595266,84.68684673,51.34709942,18.273102,5.070351555,0,0,0,0,290.5400635,369.4562014,398.4279289,345.6244691,235.7747565,155.1137644,0,0,0,0,8.938429587,15.01849659,20.02088178,24.38417297,28.60379096,33.5264062,0,0,0,0,2.17886504,2.949206807,3.386968657,3.305474745,2.705334676,2.218702497,0,0,0,0,175.1121323,320.8640076,445.7102302,571.3588944,733.1915509,922.774062,0,0,0,0,2.36587207,3.36488319,4.464432923,5.251997956,5.192293525,4.990189157,0,0,0,0,0.45089223,0.618025924,0.71780374,0.714152078,0.602256532,0.51099537,0,0,0,0,323.8667867,148.2754454,8.138318502,75.85414732,-34.72819055,-4.069882705,248.0126393,183.003636,12.20820121,0.810232237,0.370947411,0.020360001,0.189767763,-0.08688109,-0.01018181,129.4563344,59.26879953,3.253056272,30.32049061,-13.88158476,-1.626817316,0.065776143,0.135597261,0.443806416,1.023444237,399.720934,0,1,0,620.8036052,24.91593075,8.530701456,795.1702547,28.19876335,9.264458536,1133.79351,33.6718504,10.42744695,1.450520005,1.450520005,421.7098996,306.0697877,222.9500813,1.377822694,1.891499196,1.372817565,3.907200247,3.780722771,6.119384403,0.618575276,5.678878715,8.68425211,12.30426776,11.55345349,18.3426175,14.83005439,13.99922528,16.49822534,7.962073668,1.768214023,2.06321176,5.11E-07,2.09E-34,1.66E-83,2.53E-154,7.43E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.42656608,6.534793822,0.946325225,5.36024302,0.98913844,2.867756483,2.041784938,0.643922674,0.229323504,0.051376619,0.014531369,3.60E-09,1.48E-36,1.17E-85,1.78E-156,5.23E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.408961682,6.678425485,3.045945834,6.064238206,3.48373445,4.883519075,3.278877364,2.319308974,1.029470438,0.229777474,0.15142807,3.75E-08,1.54E-35,1.22E-84,1.85E-155,5.45E-248,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.325598276,8.44826063,11.53154639,10.9761396,16.90963703,13.9470273,12.84137863,14.97547169,7.21335331,1.602247615,1.838284533,4.55E-07,1.87E-34,1.48E-83,2.25E-154,6.62E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.109983225,6.86465094,4.55222916,6.713835228,5.507256181,6.393764358,4.485498874,3.932847392,1.80983136,0.403326977,0.328922003,8.15E-08,3.34E-35,2.64E-84,4.03E-155,1.18E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.022952853,9.676564316,15.25318485,13.91599409,24.06910228,18.27061907,18.76969772,22.76323813,11.04686121,2.45181813,3.009000447,7.45E-07,3.06E-34,2.42E-83,3.68E-154,1.08E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.584856603,6.679616726,7.238461303,8.094417918,8.991431147,9.788258046,7.774891328,7.990051604,3.854676807,0.876262384,0.794863983,1.97E-07,8.07E-35,6.38E-84,9.73E-155,2.86E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.780736921,1.922002885,0.928988273,0.493762639,0.341281194,0.480369063,0.47976492,0.469054549,5.631728078,9.713374514,20.31015881,0.252565751,1.429188531,2.001336157,1.347470705,0.425532263,0.530248102,0.357008382,0.249827813,0.235891513,0.098661632,3.774339126,4.121767207,9.043656994,0.330884726,0.584380958,2.310601194,1.575472373,0.625960162,0.5120975,0.349171231,0.332343195,0.322376364,0.213500401,4.512033729,6.072815586,12.8635248,0.291903097,0.86821996,2.761414592,1.907761446,0.916568323,0.494368237,0.341541131,0.473747227,0.472678484,0.456666092,5.585744361,9.547739147,19.96207569,0.253864052,1.403091804,2.448583519,1.677183041,0.715088016,0.505816376,0.346464248,0.372959337,0.365322188,0.278498232,4.840854577,7.057008979,14.83453178,0.278420936,1.016779757,2.84123734,1.966594292,0.967859188,0.491930304,0.340495077,0.501401479,0.502296612,0.508874098,5.77569082,10.24086515,21.42452836,0.248638072,1.512572189,2.773929699,1.911218124,0.91950959,0.494932963,0.341005343,0.477987627,0.47440831,0.45945969,5.604657412,9.609623067,20.08913847,0.253907459,1.411855627 +UMLS0189,L,"1,2,3-trimethylcyclohexane",CC1CCCC(C1C)C,15507,(cis)(trans)(cis) reported; [9] has RON of 84.8,UML,[1],C9H18,PubChem,,2.4,0,-0.0236,5.57E-04,39.5744,30.93586,0,0,30,10,20,0,10,0,0,0,0,0,0,0,0,0,1462.96249,1684.78297,2179.217388,1909.999233,1460.185951,1112.983037,599.505314,147.488544,12.192768,4856.843906,6529.901345,9585.725944,10251.52203,8305.113874,6430.027844,4480.655802,1955.543519,373.0049332,209.77444,217.7578,427.342512,611.0649,623.588668,439.348532,393.777416,245.856384,80.621568,36.7812581,50.1598862,78.88975002,91.88861403,78.49990747,59.79999064,45.41693209,22.69537863,5.335354858,4966.296601,4330.394515,9252.955815,14038.56106,15186.48717,10405.34247,9692.772174,6339.08443,2219.011824,45.05555556,55,93.94444444,126.3333333,116.75,90.33333333,76.16666667,43,12,48.76541633,56.15943233,36.3202898,21.95401417,16.22428834,17.66639741,10.51763709,4.096904,1.016064,161.8947969,217.6633782,159.7620991,117.8335866,92.27904304,102.063934,78.60799652,54.3206533,31.08374443,6.992481333,7.258593333,7.1223752,7.023734483,6.928762978,6.973786222,6.908375719,6.829344,6.718464,1.226041937,1.671996207,1.314829167,1.056190966,0.872221194,0.949206201,0.796788282,0.630427184,0.444612905,165.54322,144.3464838,154.2159303,161.3627708,168.7387463,165.1641662,170.0486346,176.0856786,184.917652,1.501851852,1.833333333,1.565740741,1.45210728,1.297222222,1.433862434,1.33625731,1.194444444,1,0.040588375,-0.002758479,-0.008128073,-0.020516777,0.010700369,-0.00476808,-0.00444729,0.002288616,0.007335526,807.1067267,-5.90E-13,-161.4213453,-403.5533633,161.4213453,-161.4213453,-80.71067267,80.71067267,161.4213453,1500.849423,5.26E-13,-300.1698846,-750.4247115,300.1698846,-300.1698846,-150.0849423,150.0849423,300.1698846,0.158106667,3.66E-15,-0.031621333,-0.079053333,0.031621333,-0.031621333,-0.015810667,0.015810667,0.031621333,6.709495232,1.85E-14,-1.341899046,-3.354747616,1.341899046,-1.341899046,-0.670949523,0.670949523,1.341899046,36.44608459,-3.02E-13,-7.289216918,-18.22304229,7.289216918,-7.289216918,-3.644608459,3.644608459,7.289216918,2.651851852,-0.877777778,0.418518519,-1.74962963,1.22962963,-0.339259259,-0.397777778,-0.037777778,0.428148148,0.001352946,-9.19E-05,-1.35E-04,-2.36E-04,1.19E-04,-7.57E-05,-7.80E-05,6.36E-05,6.11E-04,26.90355756,-1.97E-14,-2.690355756,-4.638544406,1.793570504,-2.562243577,-1.415976713,2.24196313,13.45177878,50.0283141,1.75E-14,-5.00283141,-8.625571396,3.33522094,-4.764601343,-2.633069163,4.169026175,25.01415705,0.005270222,1.22E-16,-5.27E-04,-9.09E-04,3.51E-04,-5.02E-04,-2.77E-04,4.39E-04,0.002635111,0.223649841,6.16E-16,-0.022364984,-0.038560317,0.014909989,-0.021299985,-0.011771044,0.018637487,0.111824921,1.214869486,-1.01E-14,-0.121486949,-0.209460256,0.080991299,-0.115701856,-0.063940499,0.101239124,0.607434743,0.088395062,-0.029259259,0.006975309,-0.020110685,0.013662551,-0.005385068,-0.006978558,-0.001049383,0.035679012,-0.067962297,-0.100128089,-0.174304852,0.087877128,-0.055940014,-0.0576687,0.046988329,0.45182432,-7.31E-16,-0.1,-0.172413793,0.066666667,-0.095238095,-0.052631579,0.083333333,0.5,3.50E-16,-0.1,-0.172413793,0.066666667,-0.095238095,-0.052631579,0.083333333,0.5,2.32E-14,-0.1,-0.172413793,0.066666667,-0.095238095,-0.052631579,0.083333333,0.5,2.76E-15,-0.1,-0.172413793,0.066666667,-0.095238095,-0.052631579,0.083333333,0.5,-8.29E-15,-0.1,-0.172413793,0.066666667,-0.095238095,-0.052631579,0.083333333,0.5,-0.331005587,0.078910615,-0.22750915,0.154562384,-0.060920458,-0.078947368,-0.011871508,0.403631285,1.518821348,1.233988025,1.200474284,0.743695822,1.058325578,0.939293115,0.660080369,0.003756588,1.45,1.305,1.2,0.7975,1.035714286,0.877631579,0.604166667,0,1.45,1.305,1.2,0.7975,1.035714286,0.877631579,0.604166667,0,1.45,1.305,1.2,0.7975,1.035714286,0.877631579,0.604166667,0,1.45,1.305,1.2,0.7975,1.035714286,0.877631579,0.604166667,0,1.45,1.305,1.2,0.7975,1.035714286,0.877631579,0.604166667,0,1.863128492,0.830307263,1.234287709,0.555225791,1.212672918,1.148467363,0.835370112,0,51.8988932,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,7.11E-15,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,51.8988932,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,7.11E-15,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,51.8988932,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,7.11E-15,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,51.8988932,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,7.11E-15,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,51.8988932,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,7.11E-15,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,51.8988932,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,7.11E-15,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,59.69870416,29.66198703,45.81528041,59.58870416,5.958870416,29.66198703,-0.183333333,0.066500997,0.0066501,-2.710538343,60.83940178,6.083940178,4.108237635,0,11.9,12.10017173,-0.151266897,0.04892171,5.93309375,9.068756202,10,30,30,30,10,0,0,0,0,0,21.86414,3.660460899,3.330559519,2.802277589,2.750129472,2.333552793,2.094353543,1.456797487,1.302227715,2.013442652,1.79256771,1.389922102,1.372874417,1.249629723,0.997409362,0.666206401,0.569627639,3.684130997,3.361717169,2.841850323,2.792995694,2.405454588,2.162029137,1.556142907,1.4062584,1.961326233,1.725391477,1.305781531,1.285229005,1.134540686,0.880575204,0.522081792,0.419449524,3.788278242,3.499053291,3.017583092,2.981537655,2.704236987,2.450551859,1.9628467,1.833550288,1.809103572,1.526481133,1.052745422,1.018928274,0.76031856,0.50579849,0.037619229,0.08788596,3.701568673,3.384698009,2.87114064,2.824624264,2.457539916,2.211521071,1.62787375,1.481512297,1.928246408,1.682474266,1.251620566,1.228596505,1.058262671,0.803476996,0.425347018,0.318442673,3.839114087,3.565942255,3.103274513,3.072480534,2.838982085,2.583759321,2.141548494,2.021227804,1.761867751,1.464234114,0.97293315,0.933903671,0.631337262,0.379198996,0.135164289,0.269476325,3.694572112,3.463751956,2.913339233,2.858333323,2.718655497,2.309914479,1.752482097,1.607383471,1.91768765,1.592286975,1.170126214,1.156737416,0.80376188,0.665277346,0.262588642,0.150743689,0,0,0,0,0,2,6,2,0,0,0,0,0.102062073,0.072168784,0,0,0,0.102062073,0.072168784,0.612372436,0,0,0,0.612372436,0,0,0,0.642228525,1.041888478,1.093412989,0.642228525,1.041888478,1.093412989,7.397341225,4.7876937,4.133584955,2.529482726,2.089508593,1.454567768,0.595522031,0.319035594,0.739734123,0.47876937,0.344465413,0.210790227,0.149250614,0.103897698,0.074440254,0.053172599,7.397341225,4.7876937,4.133584955,2.529482726,2.089508593,1.454567768,0.595522031,0.319035594,0.739734123,0.47876937,0.344465413,0.210790227,0.149250614,0.103897698,0.074440254,0.053172599,15.41827804,28.87836854,27.25490196,27.6,17.98554491,230.2825509,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.6128,46.03,42.8834899,62.95133481,85.7669798,8.57669798,42.8834899,0.20866802,0.020866802,-1.567010712,39.432933,3.9432933,3.67460133,92,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,2,0,6,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,4.683741497,0,8.985841837,0,0,0,1.997083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.341870748,0,1.472222222,0,0,0,0.919537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.341870748,0,1.512083333,0,0,0,1.077546296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.66666667,1.566666667,0.2,2.341870748,0.2,0.919537037,7.203312509,0.413796296,0.341870748,1.415816327,0.413796296,0.341870748,1.415816327,5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.2,0.2,0,5,0.5,5,0.5,0,0,-5,-0.5,0,0,11.44878,1.14488,11.44878,0,0,4.78768,0.47877,4.78768,0,0,0.12632,0.01263,0.21232,0.02123,0.2,10,0,0,0,0,0,0,1,0.918295834,1.375279366,2.597416845,3.339572262,3.456564762,3.111080496,27.54887502,41.25838097,77.92250535,100.1871679,103.6969429,93.33241489,0.187144143,0.280275123,0.529340688,0.680588286,0.704430778,0.634022796,3.988594762,3.53161123,2.309473751,1.567318334,1.450325833,1.795810099,0.187144143,0.280275123,0.529340688,0.680588286,0.704430778,0.634022796,6.73287657,12.21667895,17.3890332,19.14640285,18.53149916,15.39509482,39.49875002,30.76840725,24.8271172,21.27306377,21.72076669,27.72527279,8.1,4,3.111111111,4,0,3,2.56,1.409,0.5,2.921736458,2.309401077,0,7.732315986,5.638173476,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,4.664,12,12,14,14,8,6,4,0,0,90,2.397895273,2.564949357,2.564949357,2.708050201,2.708050201,2.197224577,1.945910149,1.609437912,0,0,4.510859507,1,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,1,3,6,1,2,0.444444444,0.4375,0.311111111,0.118055556,0.08,0,0,0,0,0.2,0.037037037,0.048611111,0.044444444,0.023611111,0.04,0,0,0,0,0.393703704,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,0,169.1598463,4.321928095,3.80666249,4.532599493,5.323009979,6.070737728,6.865891075,7.621195163,8.416046009,9.174609562,9.968479096,81.7792306,3.044522438,0,4.234106505,0,5.609471795,0,7.067319849,0,8.564267599,8.822174761,140.1565006,4.671883355,19.53512296,1.953512296,0,0,0,126,9,5.568,44,1.229266235,2.107949862,2.836567011,3.509560408,4.101997194,4.497500184,5.282428901,6.209243728,0,0,79.27849437,85.32486944,66.68306315,60.17714082,77.04621513,52.70100838,22.93548389,6.308989019,0,0,291.5000555,360.5345813,350.2678628,334.2347125,429.2580775,376.1379065,296.70394,193.0065451,0,0,8.955521785,15.06236452,19.97345183,24.34498614,28.62043588,31.15059419,36.12209109,41.71658045,0,0,2.185186681,2.912779309,3.104221119,3.127885327,3.950716657,3.743363223,3.408224371,2.760709891,0,0,175.3995389,321.6485948,453.9052473,590.1127425,676.6450306,758.6013821,926.4508582,1148.198771,0,0,2.302214539,3.391086202,4.195712342,4.604160382,5.905924741,6.156833605,6.403715198,6.209243728,0,0,0.452167257,0.611540702,0.662535765,0.675323304,0.849581635,0.815155032,0.758879318,0.635826558,0,0,354.5279456,183.2818416,9.075108401,78.7159746,-40.694137,-4.263401955,275.811971,223.9759786,13.33851036,0.818310261,0.423045386,0.02094688,0.181689739,-0.093928928,-0.00984065,153.5970769,79.40574354,3.931735539,34.10321742,-17.63048744,-1.847092976,0.057809681,0.120984934,1.009027282,1.118615024,433.2439202,0,1,0,682.8851744,26.13207176,8.806078679,876.625896,29.60786882,9.57057649,1253.092402,35.39904522,10.78104931,1.491002138,1.37822061,633.8500102,540.728492,203.2997708,1.172214928,3.117809763,2.659759477,4.295335088,4.301363014,7.285317454,0.693722996,5.578859018,8.490678795,9.919367078,21.16308877,19.50653399,13.63114408,16.91631927,17.26816073,9.707031137,5.494703377,3.070213991,2.88266023,2.305835466,0.009974445,6.57E-23,8.35E-65,2.05E-128,9.69E-214,8.844E-321,0,0,0,0,0,0,0,0,0,0,0,0.468745376,7.518183444,0.739260427,7.971276802,1.569988287,1.954738535,2.813179779,3.311876409,0.553728454,0.26917398,0.592585766,0.14646813,0.01624147,7.03E-05,4.63E-25,5.88E-67,1.44E-130,6.83E-216,6.4E-323,0,0,0,0,0,0,0,0,0,0,0,1.511797431,7.653448659,2.423408854,9.473332227,4.253106752,3.764122233,4.248339859,5.492630383,1.659109106,0.995075144,0.958417938,0.535714055,0.169238572,7.32E-04,4.82E-24,6.13E-66,1.50E-129,7.11E-215,6.47E-322,0,0,0,0,0,0,0,0,0,0,0,5.266010526,8.408770466,9.290255455,19.93427425,18.06244757,12.71325378,15.54224037,16.17744324,8.876747118,5.054257407,2.869041764,2.655270669,2.05445877,0.008887051,5.85E-23,7.44E-65,1.83E-128,8.64E-214,7.88E-321,0,0,0,0,0,0,0,0,0,0,0,2.227829196,7.765081794,3.635851903,10.85798213,6.385405432,5.176645721,5.662164418,7.187998941,2.644469823,1.59455653,1.251090819,0.853178714,0.367605637,0.001590149,1.05E-23,1.33E-65,3.27E-129,1.55E-214,1.41E-321,0,0,0,0,0,0,0,0,0,0,0,6.737208653,8.819351173,12.32488497,26.19110093,25.24622022,17.26024846,22.58377054,21.57492457,13.08767915,7.262343857,3.871260466,3.79257276,3.362840138,0.014546791,9.58E-23,1.22E-64,2.99E-128,1.41E-213,1.29E-320,0,0,0,0,0,0,0,0,0,0,0,3.712569968,7.522638442,5.653454945,14.81021058,10.5438489,8.198614849,9.378558937,10.95064352,5.07787264,2.890305684,2.087400758,1.66563032,0.939459905,0.00406383,2.68E-23,3.40E-65,8.35E-129,3.95E-214,3.6E-321,0,0,0,0,0,0,0,0,0,0,0,4.193884029,1.656879166,0.851993211,0.625695427,0.247193701,0.502107431,0.567156397,0.411651697,6.702756406,11.93356959,24.55662155,0.43854314,1.480915525,3.475734192,1.059008672,0.393301218,0.705296895,0.214894318,0.345150774,0.231902758,0.087515204,4.928044083,5.464352546,11.8400726,0.557945343,0.664568736,3.760938225,1.296397909,0.575566078,0.667673267,0.23014742,0.403979462,0.347383985,0.187651671,5.632902213,7.786503577,16.22567746,0.501509901,0.939015119,4.176102553,1.642071689,0.840645288,0.627153587,0.24660102,0.497867723,0.557074583,0.400745266,6.658819529,11.74848053,24.1719913,0.44073038,1.455687572,3.888074918,1.402242276,0.656769298,0.653778102,0.235786427,0.431691801,0.406361177,0.244436342,5.947086492,8.926540933,18.45434876,0.480667153,1.082489319,4.249553727,1.703238969,0.887518341,0.621251534,0.249000222,0.515497014,0.599304734,0.446741315,6.840311037,12.5212182,25.78539188,0.431877302,1.561543063,4.189261793,1.646313146,0.842493078,0.627316431,0.246525364,0.501012004,0.560049651,0.402563967,6.678068016,11.81326825,24.30187349,0.440974646,1.463625622 +UMLS0190,L,iso-butylcyclohexane,CC(C)CC1CCCCC1,15508,[8/32] has RON of 63.8 (!!!),UML,[1],C10H20,UML,,4.8,0,-2.2014,4.84616196,35.0902,32.269446,0,0,32,10,22,0,10,0,0,0,0,0,0,0,0,0,1464.994618,1564.733025,1628.407208,1462.132399,1265.37567,1068.618941,871.862212,675.105483,478.348754,4919.011395,6335.857676,8183.299058,8109.013046,7102.214701,6095.416356,5088.618011,4081.819666,3075.021321,223.211368,224.452548,424.85264,563.52166,500.63676,437.75186,374.86696,311.98206,249.09716,37.67048391,49.59807482,70.85046445,75.16732273,66.14579387,57.12426502,48.10273616,39.0812073,30.05967844,5336.131905,4509.845254,9421.85879,13490.4332,12011.47804,10532.52289,9053.567731,7574.612576,6095.657421,48,57.75,92.5,110.25,98,85.75,73.5,61.25,49,45.78108181,50.47525887,27.14012013,18.05101727,17.57466208,16.96220541,16.14559652,15.00234407,13.28746539,153.7191061,204.3825057,136.3883176,100.1112722,98.64187085,96.75264057,94.23366687,90.70710369,85.41725893,6.97535525,7.240404774,7.080877333,6.957057531,6.953288333,6.948442222,6.941980741,6.932934667,6.919365556,1.177202622,1.599937897,1.180841074,0.927991639,0.918691582,0.906734365,0.89079141,0.868471273,0.834991068,166.754122,145.4788792,157.0309798,166.548558,166.8260839,167.1829029,167.6586617,168.3247239,169.3238172,1.5,1.862903226,1.541666667,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,0.045709501,-0.004413885,-0.021126449,-9.91E-05,-2.81E-06,7.19E-08,1.51E-06,1.32E-05,4.11E-05,832.3288119,-57.22260582,-365.0896834,-10.87702425,-11.34993834,-11.82285244,-12.29576654,-12.76868064,-13.24159473,1547.750967,-106.407879,-678.8998562,-20.22629105,-21.10569501,-21.98509897,-22.86450293,-23.74390689,-24.62331084,0.1630475,-0.011209516,-0.071518562,-0.002130734,-0.002223375,-0.002316016,-0.002408656,-0.002501297,-0.002593938,6.919166958,-0.475692728,-3.034998234,-0.090420932,-0.094352277,-0.098283622,-0.102214966,-0.106146311,-0.110077656,37.58502473,-2.58397045,-16.48615858,-0.491167937,-0.512523065,-0.533878192,-0.55523332,-0.576588448,-0.597943575,2.875,-0.66015625,-1.015625,0.03515625,0.03125,0.02734375,0.0234375,0.01953125,0.015625,0.001428422,-1.42E-04,-3.52E-04,-1.22E-06,-3.91E-08,1.14E-09,2.80E-08,2.94E-07,1.14E-06,26.01027537,-1.84589051,-6.084828057,-0.13428425,-0.157638033,-0.187664324,-0.22769938,-0.283748459,-0.367822076,48.36721773,-3.432512226,-11.3149976,-0.249707297,-0.293134653,-0.348969825,-0.423416721,-0.527642375,-0.683980857,0.005095234,-3.62E-04,-0.001191976,-2.63E-05,-3.09E-05,-3.68E-05,-4.46E-05,-5.56E-05,-7.21E-05,0.216223967,-0.015344927,-0.050583304,-0.001116308,-0.001310448,-0.001560057,-0.00189287,-0.002358807,-0.003057713,1.174532023,-0.083353885,-0.27476931,-0.006063802,-0.007118376,-0.008474257,-0.010282099,-0.012813077,-0.016609544,0.08984375,-0.021295363,-0.016927083,4.34E-04,4.34E-04,4.34E-04,4.34E-04,4.34E-04,4.34E-04,-0.099678795,-0.246501033,-8.57E-04,-2.74E-05,7.99E-07,1.96E-05,2.06E-04,8.00E-04,-0.070967742,-0.233939394,-0.005162738,-0.006060606,-0.007215007,-0.008754209,-0.010909091,-0.014141414,-0.070967742,-0.233939394,-0.005162738,-0.006060606,-0.007215007,-0.008754209,-0.010909091,-0.014141414,-0.070967742,-0.233939394,-0.005162738,-0.006060606,-0.007215007,-0.008754209,-0.010909091,-0.014141414,-0.070967742,-0.233939394,-0.005162738,-0.006060606,-0.007215007,-0.008754209,-0.010909091,-0.014141414,-0.070967742,-0.233939394,-0.005162738,-0.006060606,-0.007215007,-0.008754209,-0.010909091,-0.014141414,-0.237026648,-0.188405797,0.004830918,0.004830918,0.004830918,0.004830918,0.004830918,0.004830918,1.628984413,1.403214125,0.924977432,0.921560946,0.918143875,0.913606549,0.907099062,0.896992195,1.6,1.427878788,0.946352413,0.939393939,0.93044733,0.918518519,0.901818182,0.876767677,1.6,1.427878788,0.946352413,0.939393939,0.93044733,0.918518519,0.901818182,0.876767677,1.6,1.427878788,0.946352413,0.939393939,0.93044733,0.918518519,0.901818182,0.876767677,1.6,1.427878788,0.946352413,0.939393939,0.93044733,0.918518519,0.901818182,0.876767677,1.6,1.427878788,0.946352413,0.939393939,0.93044733,0.918518519,0.901818182,0.876767677,1.826086957,1.168115942,0.798711755,0.823671498,0.855762595,0.898550725,0.958454106,1.048309179,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,75.83469465,37.85068066,60.84580395,75.72802798,7.572802798,37.85068066,-0.133333333,1.67E-16,1.67E-17,-36.33133546,48.66635119,4.866635119,3.884987851,0,11.89,12.11015511,-0.170505165,0.049865171,5.112413351,7.407268787,9,31,31,31,9,0,0,0,0,0,24.050554,3.512805123,3.337201265,3.062823148,2.716438049,2.333784739,1.956334141,1.624183802,1.365317391,1.932483317,1.815532584,1.632737175,1.405372919,1.164335932,0.942762779,0.763930039,0.634799578,3.541651349,3.370182286,3.102652658,2.765819865,2.395430027,2.032725436,1.716720514,1.473124754,1.872049897,1.747200105,1.552915661,1.311754829,1.055524963,0.818635077,0.626272471,0.486878003,3.667491355,3.514173242,3.276143496,2.979400328,2.658834882,2.35356873,2.097021803,1.906139155,1.692420704,1.542675643,1.31032137,1.021062963,0.709480343,0.414138296,0.167326491,0.015415667,3.562848207,3.394431523,3.131931389,2.80206165,2.440523319,2.088317692,1.783588016,1.550406129,1.833409087,1.703366429,1.501368098,1.250760393,0.983965445,0.73625379,0.534158895,0.387266279,3.728198738,3.583545209,3.359192445,3.080350168,2.781097802,2.499169271,2.265278097,2.093146298,1.635759561,1.477872193,1.232516296,0.925996536,0.593542969,0.274941482,0.005070189,0.197167147,3.56934017,3.442789514,3.216871357,2.905546292,2.548605827,2.198203331,1.90041371,1.678949589,1.806934966,1.642036503,1.400603284,1.122039913,0.842915067,0.590043505,0.381370055,0.225766441,0,0,0,0,0,2,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.656854249,4.914213562,3.121320344,1.957106781,1.207106781,0.728553391,0.426776695,0.239276695,0.765685425,0.546023729,0.390165043,0.279586683,0.201184464,0.145710678,0.106694174,0.079758898,7.656854249,4.914213562,3.121320344,1.957106781,1.207106781,0.728553391,0.426776695,0.239276695,0.765685425,0.546023729,0.390165043,0.279586683,0.201184464,0.145710678,0.106694174,0.079758898,15.96010584,30.76620539,28.98039216,29.36,18.7840994,246.5681114,0.498753308,0.961443918,0.905637255,0.9175,0.587003106,7.705253481,4.147,48.284,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,122,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,2,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,4.539767731,0,11.46023227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.269883866,0,1.36882716,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.269883866,0,1.466111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,1.6,0.2,2.269883866,0.2,1.36882716,7.485011613,0.13117284,0.269883866,1.079535462,0.13117284,0.269883866,1.079535462,5,0.5,0,0,0.425,0.7,0.425,0.425,0.7,0,0,0,0,0.71429,0,0,0.2,0,0,4.5,0.45,4.5,0.45,0,0,-4.5,-0.45,0,0,10.82617,1.08262,10.82617,0,0,4.91421,0.49142,4.91421,0,0,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,9,0,0,0,0,0,0,1,0.896038233,1.121640762,1.905639062,2.358458593,2.352217001,2.021782222,28.67322344,35.89250439,60.98044999,75.47067499,75.27094405,64.69703109,0.179207647,0.224328152,0.381127812,0.471691719,0.4704434,0.404356444,4.103961767,3.878359238,3.094360938,2.641541407,2.647782999,2.978217778,0.180864499,0.226402163,0.384651504,0.476052713,0.474792853,0.408094895,6.667318507,9.374548863,12.39410975,13.36908858,12.84418217,10.28173396,39.63994499,35.17609677,33.01842031,31.58458593,33.04547782,37.3049511,10,9,9.142857143,10,0,10,2.56,1.5176,0.111111111,4.250401119,0,0,11.24058363,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,4.764,8,7,6,5,4,3,2,1,0,55,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,4.025351691,1,0.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0.777777778,9,1,1,5,9,0.8,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0,0,0.055555556,0.027777778,0.017857143,0.013333333,0.011111111,0.010204082,0.010416667,0.012345679,0,0,0.158601348,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,0,181.516305,4.321928095,3.555348061,4.17438727,4.812184355,5.451038454,6.098074282,6.744059186,7.394493107,8.04334217,8.695004593,73.96793148,2.944438979,0,3.931825633,0,5.056245805,0,6.244166901,0,7.466799475,7.82284529,142.1721507,4.44287971,18.82909733,1.882909733,0,0,0,165,7,6.03,34,1.232032258,2.126816784,2.853478777,3.591182009,4.927171109,5.939369942,7.256069977,8.351068313,9.639996477,10.7432104,73.3510472,64.85722262,63.21784037,82.25633201,99.99898706,114.6708222,124.7862759,126.3910231,111.1472603,53.69799054,277.889902,310.8455964,315.7583328,419.33635,526.7493238,623.7543861,709.8426041,768.6351914,778.0286238,656.6194205,8.95613516,15.1083947,19.90650427,25.16007837,34.36215858,41.41828006,50.44784132,57.95480916,66.61187972,73.71761161,2.112699944,2.639415831,2.821462502,3.728246744,4.782526661,5.713564368,6.635830492,7.34492241,7.781398572,7.356887,177.010611,330.4530093,471.509208,584.8518716,814.4923176,981.697822,1210.798686,1401.089409,1638.630883,1863.963709,2.361072581,3.360669099,3.986003833,5.194605394,6.925482084,8.405321627,10.13863169,11.69622522,13.51290248,14.60058202,0.438284758,0.558867937,0.604275049,0.797031725,1.026662266,1.228052559,1.431495255,1.590015103,1.696931383,1.63087908,518.806276,289.9483775,12.87982094,185.6728382,-103.7680936,-11.19483188,333.1334378,393.7164711,24.07465282,0.736439542,0.411578387,0.018282758,0.263560458,-0.147297615,-0.015890935,365.4881858,204.2625762,9.073564845,130.8026366,-73.10245464,-7.88652525,0.047235381,0.116601667,0.717876105,7.744630494,704.4791142,0,1,0,558.7341223,23.63755745,8.236355148,771.8489161,27.78216903,9.17298675,886.8236151,29.77958386,9.60754476,3.5468948,3.5468948,1919.023544,1889.905618,62.49348786,1.01540708,30.70757626,30.24164089,5.191248624,6.901696073,12.51757278,0.813695162,6.135812176,8.536735897,3.299079542,35.84605019,15.41652225,0.143561376,5.950185579,9.031373116,21.58597966,1.271385627,2.190334646,21.20866241,4.670917491,16.95680387,2.706616095,0.752742321,4.229476654,4.699786721,5.486966136,4.287083639,2.590008367,0.829633961,0.282376383,2.450972911,1.56E-10,2.42E-42,7.26E-96,4.19E-171,4.67E-268,0,0.514936198,8.536277482,0.229480196,8.149216747,0.1120919,0.00124132,0.890646665,0.33794726,6.322296711,0.046024466,0.0194948,1.278356878,0.15123111,4.295801438,0.114384975,0.062463041,0.19262003,0.087008273,1.860278089,0.186279763,0.153140911,0.006395501,0.02369758,0.017262403,1.10E-12,1.71E-44,5.11E-98,2.95E-173,3.29E-270,0,1.662276818,8.53630898,0.772015801,10.14002909,1.140508706,0.010951644,1.923306853,1.367680506,8.324227981,0.188552494,0.167911555,4.394495877,0.646840448,6.389425923,0.443551105,0.192169477,0.719859502,0.483436004,2.600545409,0.715661476,0.526900461,0.06141166,0.076498884,0.179887545,1.15E-11,1.78E-43,5.33E-97,3.08E-172,3.43E-269,0,5.791706176,8.536685874,3.081432048,32.85472731,13.73826204,0.12800671,5.640409008,8.235689213,20.25755357,1.158306593,1.953183017,19.65173565,4.24318299,16.00809315,2.477181099,0.706523752,3.877356132,4.224543719,5.264936868,3.927188449,2.397079319,0.739251617,0.266540056,2.183772738,1.39E-10,2.16E-42,6.47E-96,3.74E-171,4.16E-268,0,2.449890184,8.536349034,1.169401236,12.59419135,2.468694907,0.023359993,2.632225263,2.295700789,10.02917513,0.318340494,0.357296923,6.816314306,1.113832501,7.972349123,0.728886639,0.284532692,1.169909738,0.917434176,3.108720773,1.170421923,0.820191012,0.132737801,0.112745489,0.390739785,2.49E-11,3.86E-43,1.16E-96,6.68E-172,7.45E-269,0,7.409881809,8.536946046,4.138685091,48.39279078,22.47209342,0.208921804,7.097188786,12.27659263,26.95189452,1.733284417,3.186773388,27.35568131,6.426123281,20.66657745,3.6364311,0.928365349,5.652425365,6.678366622,6.309047419,5.743201037,3.354007826,1.209678239,0.341011397,3.574513645,2.28E-10,3.54E-42,1.06E-95,6.12E-171,6.81E-268,0,3.922039033,8.058513549,1.86354965,18.64212039,6.031401034,0.056451695,3.790406127,4.224834171,13.54827596,0.590810862,0.862041917,11.771524,2.125201575,11.38913255,1.299436218,0.428009726,2.25564885,1.972804874,4.883516439,2.071174959,1.673837389,0.324741455,0.22060496,0.957411294,6.10E-11,9.47E-43,2.84E-96,1.64E-171,1.82E-268,0,14.5824455,0.781085363,0.517444134,0.918233641,0.049183716,0.557853601,0.624350483,0.624984453,15.880975,19.33990367,41.11463708,0.877350462,1.807188537,13.17544307,0.322100342,0.117303726,0.967726111,0.023658021,0.4555665,0.106092527,0.032119287,13.61484714,5.827126863,19.93978928,0.951589166,0.593778314,13.7511616,0.510061604,0.281066426,0.945598111,0.035074367,0.4961626,0.266252103,0.184399704,14.54228963,11.02229057,27.53596311,0.918397166,0.946814407,14.54926899,0.770276725,0.508012006,0.919236514,0.048666809,0.555321902,0.607205602,0.602407305,15.82755773,18.98947642,40.51030604,0.878854772,1.764934808,14.00045607,0.591383708,0.351963501,0.936873687,0.039573842,0.514281772,0.357964695,0.289159548,14.94380328,13.41543665,31.2733716,0.90531053,1.161406014,14.68579654,0.814752275,0.546826121,0.915152578,0.050771686,0.565777426,0.679272743,0.697976469,16.04737494,20.44139112,43.03169706,0.872728867,1.943026639,14.60199397,0.771824156,0.509611983,0.919322456,0.04859304,0.559344875,0.609608846,0.606207829,15.88343011,19.10485362,40.73169827,0.878983683,1.775161549 +UMLS0191,L,n-decane,CCCCCCCCCC,15600,"Use UML numbers if they are comfortable with them, Sandia values from the Co-optima database are Blended predicted values","Sandia, UML",[1],C10H22,PubChem,,-0.7,0,2.4075,5.79605625,48.6502,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2115.628885,2089.387452,1445.789695,781.021083,214.034688,21.337344,0,4670.34144,5841.481647,7996.552878,8627.150907,7353.404818,5021.19798,2457.460751,652.758633,0,169.463656,175.052008,300.446356,343.926768,382.5223,355.885356,248.251392,141.087744,0,34.11358067,43.47862034,61.85917094,68.87187532,63.83170571,47.76926737,26.70896706,9.336871002,0,3856.790689,3411.659229,6406.831556,7256.509721,8465.861487,8397.962549,6148.313804,3883.270693,0,48.58333333,59.27777778,86.77777778,101.7777778,101,82,52,21,0,60.70275442,67.17251842,50.37211631,43.52890525,26.77388324,15.31413888,5.945408,1.016064,0,194.59756,243.3950686,190.3941161,179.7323106,136.1741633,98.45486236,68.26279863,31.08374443,0,7.060985667,7.293833667,7.153484667,7.165141,7.083746296,6.978144235,6.895872,6.718464,0,1.421399194,1.811609181,1.472837403,1.434830736,1.182068624,0.936652301,0.741915752,0.444612905,0,160.6996121,142.1524679,152.5436085,151.1772859,156.7752127,164.6659323,170.7864946,184.917652,0,2.024305556,2.469907407,2.066137566,2.12037037,1.87037037,1.607843137,1.444444444,1,0,0.044189239,5.90E-05,0.002022996,-0.019896154,-0.020681512,0.002495478,-0.003178997,0.017084574,0,706.2183858,-1.07E-13,186.6434305,-211.8655158,-489.308453,-229.5209754,-50.44417042,441.3864911,0,1313.243245,1.85E-13,347.0714291,-393.9729735,-909.8899627,-426.8040546,-93.80308893,820.7770282,0,0.138343333,2.23E-15,0.036562167,-0.041503,-0.095852167,-0.044961583,-0.009881667,0.086464583,0,5.870808328,1.37E-14,1.551570772,-1.761242498,-4.067631485,-1.908012707,-0.419343452,3.669255205,0,31.89032402,-1.08E-13,8.428157061,-9.567097205,-22.09543878,-10.36435531,-2.277880287,19.93145251,0,4.572916667,-0.982638889,1.973090278,-1.138888889,-3.1015625,-0.51953125,-1.151041667,2.634114583,0,0.001841218,2.46E-06,4.82E-05,-4.15E-04,-3.83E-04,4.89E-05,-8.83E-05,8.14E-04,0,29.42576608,-4.44E-15,4.443891203,-4.413864911,-9.061267649,-4.500411282,-1.401226956,21.01840434,0,54.71846854,7.70E-15,8.263605454,-8.207770282,-16.84981412,-8.368706954,-2.605641359,39.08462039,0,0.005764306,9.31E-17,8.71E-04,-8.65E-04,-0.00177504,-8.82E-04,-2.74E-04,0.004117361,0,0.244617014,5.71E-16,0.036942161,-0.036692552,-0.075326509,-0.037412014,-0.011648429,0.174726438,0,1.328763501,-4.51E-15,0.200670406,-0.199314525,-0.409174792,-0.203222653,-0.063274452,0.949116786,0,0.190538194,-0.040943287,0.04697834,-0.023726852,-0.057436343,-0.010186887,-0.03197338,0.125434028,0,0.001335033,0.026160164,-0.22512442,-0.208009539,0.026575311,-0.047960344,0.441854815,0,-1.51E-16,0.151020408,-0.15,-0.307936508,-0.152941176,-0.047619048,0.714285714,0,1.41E-16,0.151020408,-0.15,-0.307936508,-0.152941176,-0.047619048,0.714285714,0,1.62E-14,0.151020408,-0.15,-0.307936508,-0.152941176,-0.047619048,0.714285714,0,2.34E-15,0.151020408,-0.15,-0.307936508,-0.152941176,-0.047619048,0.714285714,0,-3.40E-15,0.151020408,-0.15,-0.307936508,-0.152941176,-0.047619048,0.714285714,0,-0.214882308,0.246556026,-0.124525437,-0.301442673,-0.053463755,-0.167805619,0.658314351,0,1.092354569,0.944685344,1.306393819,1.313041366,0.941018237,0.75792113,0.058022764,0,1.15,0.891836735,1.191071429,1.277777778,1.043697479,0.876190476,0,0,1.15,0.891836735,1.191071429,1.277777778,1.043697479,0.876190476,0,0,1.15,0.891836735,1.191071429,1.277777778,1.043697479,0.876190476,0,0,1.15,0.891836735,1.191071429,1.277777778,1.043697479,0.876190476,0,0,1.15,0.891836735,1.191071429,1.277777778,1.043697479,0.876190476,0,0,1.408757277,0.660302997,1.175904834,1.296211929,0.936888651,1.117691724,0,0,38.24282499,19.12141249,26.42333966,38.24282499,3.824282499,19.12141252,3.55E-15,0.19995093,0.019995093,-1.60968329,75.58025582,7.558025582,4.325195083,38.24282499,19.12141249,26.42333966,38.24282499,3.824282499,19.12141252,3.55E-15,0.19995093,0.019995093,-1.60968329,75.58025582,7.558025582,4.325195083,38.24282499,19.12141249,26.42333966,38.24282499,3.824282499,19.12141252,3.55E-15,0.19995093,0.019995093,-1.60968329,75.58025582,7.558025582,4.325195083,38.24282499,19.12141249,26.42333966,38.24282499,3.824282499,19.12141252,3.55E-15,0.19995093,0.019995093,-1.60968329,75.58025582,7.558025582,4.325195083,38.24282499,19.12141249,26.42333966,38.24282499,3.824282499,19.12141252,3.55E-15,0.19995093,0.019995093,-1.60968329,75.58025582,7.558025582,4.325195083,38.24282499,19.12141249,26.42333966,38.24282499,3.824282499,19.12141252,3.55E-15,0.19995093,0.019995093,-1.60968329,75.58025582,7.558025582,4.325195083,43.11175961,21.33032261,30.03762429,43.06642628,4.306642628,21.33032261,-0.113333333,0.342299028,0.034229903,-1.072070573,80.81193358,8.081193358,4.392124647,0,11.89,12.11015511,-0.155061143,0.065337848,5.683368061,9.072757309,10,24,21,18,4,3,0,0,0,6,15.304898,3.8433556,3.132835263,2.964333301,2.498799433,2.360199186,1.868741453,1.530815542,0.747976462,2.016998148,1.626174868,1.502579197,1.204962516,1.03468869,0.776022952,0.511477969,0.017275569,3.853231656,3.162322054,2.997538192,2.537086264,2.421127615,1.934274842,1.616229961,0.8612696,1.987018313,1.550329449,1.420567368,1.100730274,0.948890618,0.65452455,0.39424737,0.113150511,3.899174075,3.301292924,3.150894758,2.72839917,2.656165026,2.215473332,1.954136062,1.318266072,1.908913708,1.330483135,1.182676928,0.7729224,0.694581725,0.27043721,0.013918387,0.600693291,3.860630834,3.184601664,3.022438114,2.565991516,2.46484255,1.982145258,1.677290347,0.943089726,1.968908828,1.502095298,1.368444586,1.032004775,0.894622557,0.574421966,0.317608133,0.204591908,3.923315163,3.373108759,3.228942965,2.838710279,2.746892167,2.348852073,2.095963496,1.509711161,1.887104398,1.264839347,1.11104716,0.674695555,0.60353033,0.145177981,0.125335213,0.789729973,3.856922833,3.187415749,3.062765385,2.650724745,2.549961478,2.03745892,1.721129224,1.028274553,1.969637443,1.471852872,1.300868406,0.920574384,0.815298933,0.496856962,0.249514041,0.287109707,0,0,0,3,3,3,1,0,0,0,0,0,0.068041382,0.184195286,0,0,0,0.024056261,0.065122868,0.691044062,0,0.11785113,0,0.413066307,0,0.058925565,0,1.41820032,1.837206481,2.347559179,0.762367864,0.896277773,0.99128153,7.560477932,4.736382105,4.063836075,3.149041354,2.219131906,1.671267628,0.587806669,0.212378949,0.756047793,0.473638211,0.312602775,0.20993609,0.138695744,0.09830986,0.065311852,0.053094737,6.939157589,3.798694043,2.783492337,1.885537311,1.181155845,0.756348883,0.223191992,0.080493819,0.693915759,0.379869404,0.214114795,0.125702487,0.07382224,0.044491111,0.02479911,0.020123455,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.30504,43.1,42.60022158,58.59403027,85.20044317,8.520044317,42.60022158,0.005572597,5.57E-04,-5.189894143,64.21742664,6.421742664,4.162274617,80,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,3,0,0,0,0,0,0,0,0,3,0,1,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.855,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.133819444,0,0.645277778,0,0,1.133819444,0,0,0,0,0,0,0,0,6.498657407,0,1.146342593,0,0,6.60912037,0,0,0,0,4.24587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.36337963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0.285972222,0,0,0.363194444,0,0,0,0,0,0,0,0,2.1375,0,1.146342593,0,0,2.161203704,0,0,0,0,1.36337963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.389652778,0,0.359305556,0,0,0.389652778,0,0,0,0,0,0,0,0,2.196203704,0,1.146342593,0,0,2.259259259,0,0,0,0,1.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.5,1.85,0.389652778,2.259259259,0.116319444,1.146342593,6.185260046,0.353657407,0.259259259,2.215555556,0.353657407,0.259259259,2.215555556,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.3,0.3,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.12684,0.71268,12.04465,4.91782,0.49178,2.65706,0.26571,4.73636,2.0793,0.20793,0.17764,0.01776,0.26364,0.02636,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.321695404,3.29248125,3.490601563,3.621653522,3.621653522,23.51685016,55.72068971,79.01955001,83.77443751,86.91968454,86.91968454,0.213713581,0.506371732,0.718104292,0.761315182,0.789898177,0.789898177,3.605093744,2.263267096,1.29248125,1.094360938,0.963308978,0.963308978,0.206076118,0.48827557,0.692441461,0.734108128,0.761669655,0.761669655,6.772325919,18.0677644,22.48567837,23.60136356,23.73344101,23.73344101,37.92632204,26.17699528,19.8948625,18.26591511,17.93533532,17.93533532,8.1,3.408284024,1.991111111,2,6,2,2.56,1.28,0.646330407,4.431312644,3.807442432,0,2.620741394,7.485690587,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.1,0.505,0.68,4.871,13,15,16,17,9,4,1,0,0,95,2.63905733,3.198673118,3.669951444,4.092259056,4.52923362,4.123093976,3.361893332,2.151035195,0,0,5.80663986,3.489473684,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,5,0.666666667,2.5,1.333333333,0.6875,0.533333333,0.0625,0,0,0,0,0,0.25,0.102564103,0.057291667,0.076190476,0.020833333,0,0,0,0,0,0.506879579,23.74880641,33.19882277,47.49761282,4.749761282,23.74880641,0.044471669,0.004447167,-3.112902943,47.56259181,4.756259181,3.862046566,0,150.3504702,4.321928095,3.850147602,4.634728988,5.459585514,6.267200549,7.090909822,7.905072849,8.726967775,9.543449818,10.36429276,83.84235567,3.044522438,0,4.290459441,0,5.752572639,0,7.311218384,0,8.913415718,9.142382679,134.1095504,5.587897935,19.39764338,1.939764338,0,0,0,115,12,3.722,46,1.235345989,2.146071936,3.024895154,3.795366449,4.577870912,5.415358769,6.183631008,0,0,0,92.61138514,119.6930584,141.6482823,111.820102,76.93214684,33.69202817,6.282964857,0,0,0,323.1774761,440.0577444,570.1760285,549.005511,473.8338812,380.9472769,192.2104059,0,0,0,9.041223086,15.41654856,21.72583097,26.97056025,32.0120567,37.39744462,41.54450232,0,0,0,2.360044781,3.34779989,4.495906682,4.691997886,4.440028238,4.10793851,2.749322145,0,0,0,173.6889854,322.8178583,453.6722712,588.7159293,748.7848148,920.5828973,1143.462527,0,0,0,3.139385026,4.62684199,6.575621296,7.326689138,7.53850389,7.957024631,6.183631008,0,0,0,0.485982744,0.695635294,0.939616274,0.994356573,0.956543542,0.904265961,0.633203815,0,0,0,292.8959191,142.0224027,9.781740313,91.29543519,-44.26827491,-4.416045813,201.6004839,186.2906776,14.19778613,0.762369886,0.369665796,0.025460595,0.237630114,-0.115224547,-0.011494391,112.5280798,54.56377925,3.758060058,35.07491688,-17.00748849,-1.696606622,0.128480567,0.126331197,1.699667474,1.140235436,384.1913543,0,1,0,731.2346257,27.04135029,9.00918661,867.4900677,29.45318434,9.537213474,1292.801239,35.95554532,10.89374621,1.51569444,1.51569444,654.9361098,432.9234999,264.4485433,1.512821803,2.476610768,1.637080297,4.445103979,4.340721796,7.138102735,0.64445064,4.149702385,5.585879541,4.109580612,12.01387273,5.431310368,5.280268393,9.619956063,7.280286884,7.503442741,5.82618993,4.611120074,7.980410361,0.149888415,2.05E-06,5.47E-33,2.81E-81,2.78E-151,5.32E-243,0,0,0,0,0,0,0,0,0,0,0,0,0.348365374,4.824851572,0.305264119,6.365610579,1.750658052,1.392274942,1.019796476,1.061140097,0.858786695,0.391254354,0.204389442,0.056400931,0.001055676,1.44E-08,3.85E-35,1.98E-83,1.96E-153,3.75E-245,0,0,0,0,0,0,0,0,0,0,0,0,1.124299299,4.87570538,1.010898275,7.200898055,2.095425651,1.890320811,2.629626872,2.133008013,1.829374999,1.25642463,0.780054742,0.58621603,0.011000962,1.51E-07,4.01E-34,2.06E-82,2.04E-152,3.91E-244,0,0,0,0,0,0,0,0,0,0,0,0,3.916987257,5.502325481,3.8515982,11.55571851,5.062165913,4.937683051,9.041935894,6.829653482,6.960203993,5.407071557,4.226778479,7.110535707,0.133547879,1.83E-06,4.87E-33,2.50E-81,2.48E-151,4.74E-243,0,0,0,0,0,0,0,0,0,0,0,0,1.656953614,4.941639642,1.516348039,7.868611576,2.452805568,2.319976463,3.777970142,2.927481047,2.610183967,1.92284967,1.271386427,1.272861551,0.023895559,3.27E-07,8.71E-34,4.48E-82,4.44E-152,8.49E-244,0,0,0,0,0,0,0,0,0,0,0,0,5.011341757,5.937212998,5.093255363,13.83780117,6.961380166,6.667433609,11.81860685,9.02814766,9.669748744,7.476092231,6.16424362,11.63804492,0.218598166,2.99E-06,7.97E-33,4.10E-81,4.06E-151,7.77E-243,0,0,0,0,0,0,0,0,0,0,0,0,2.343514023,4.543994705,1.957528006,8.61993707,3.041773433,2.87001913,5.195016332,3.960157056,3.511257659,2.90508264,2.000363181,2.33248707,0.043795008,5.99E-07,1.60E-33,8.21E-82,8.14E-152,1.56E-243,0,0,0,0,0,0,0,0,0,0,0,0,4.518541636,2.813938032,0.444005894,0.58105189,0.361852152,0.554965708,0.55171962,0.360189359,7.776485562,15.97056035,29.39253476,0.414356063,1.466874686,3.096230983,1.829568769,0.159259287,0.608887912,0.359793024,0.267703659,0.234104356,0.046241763,5.085059039,6.449246866,12.43647274,0.453021405,0.548049777,3.598420367,2.182177693,0.260399289,0.595666603,0.36122805,0.357159582,0.334042484,0.123740678,6.040997349,9.357656279,17.44341109,0.435341979,0.814942744,4.476314608,2.785241972,0.435615088,0.581553173,0.361852651,0.544922172,0.540782034,0.346688835,7.697171668,15.63086293,28.75911769,0.415108736,1.432393041,3.846903564,2.354312614,0.310164912,0.59079687,0.361568856,0.406240033,0.388514319,0.175623368,6.51138109,10.98021325,20.30070013,0.428548589,0.970377719,4.65352681,2.905515918,0.4708101,0.579528281,0.361839249,0.587696399,0.587286777,0.405046255,8.029852829,17.07976989,31.47539722,0.412051296,1.580029431,4.479669655,2.788794411,0.435262417,0.581493861,0.362005896,0.545652486,0.542078487,0.346250752,7.703726483,15.65656693,28.79797356,0.415249636,1.433981725 +UMLS0192,L,"1,4-dimethyl-2-ethylbenzene",CCC1=C(C=CC(=C1)C)C,15653,,"Sandia, UML",[1],C10H14,PubChem,,4.6,0,0.8404,0.70627216,30.8396,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1598.091777,1031.200804,399.786073,90.93168,9.144576,0,0,3399.790734,4570.930941,6845.084609,6384.093196,3638.87454,1247.927098,279.7536999,0,0,146.842108,152.43046,299.153988,407.329168,384.24106,163.638144,60.466176,0,0,25.74688067,35.11192034,55.82667958,59.24622745,39.28337506,14.68429815,4.001516144,0,0,3476.407621,3031.276161,6480.349218,9348.106878,9724.95334,4247.253023,1664.258868,0,0,32.30555556,39.25,65.94444444,86.33333333,70,30,9,0,0,48.76541633,56.15943233,38.04980421,17.77932421,7.139037018,3.78882,1.016064,0,0,161.8947969,217.6633782,162.978205,110.0705723,64.97990251,51.99696242,31.08374443,0,0,6.992481333,7.258593333,7.122714,7.02291669,6.8614475,6.818256,6.718464,0,0,1.226041937,1.671996207,1.329206657,1.02148668,0.70148884,0.611845756,0.444612905,0,0,165.54322,144.3464838,154.294029,161.1742565,173.6598811,176.9688759,184.917652,0,0,1.538359788,1.869047619,1.57010582,1.488505747,1.25,1.25,1,0,0,0.028021059,-0.002788608,-0.001600313,-0.022556882,0.005240851,0.002865749,0.004828673,0,0,564.9747087,4.62E-13,-40.35533633,-511.1675936,67.25889389,80.71067267,121.066009,0,0,1050.594596,0,-75.04247115,-950.5379679,125.0707852,150.0849423,225.1274134,0,0,0.110674667,1.58E-15,-0.007905333,-0.100134222,0.013175556,0.015810667,0.023716,0,0,4.696646663,7.55E-15,-0.335474762,-4.24934698,0.559124603,0.670949523,1.006424285,0,0,25.51225921,1.91E-14,-1.822304229,-23.08252024,3.037173716,3.644608459,5.466912688,0,0,2.145502646,-0.896825397,0.431216931,-1.341017889,0.625220459,-0.245653817,0.35430839,0,0,0.001334336,-1.33E-04,-3.81E-05,-3.89E-04,9.36E-05,1.19E-04,5.37E-04,0,0,26.90355756,2.20E-14,-0.960841341,-8.813234372,1.201051677,3.362944694,13.45177878,0,0,50.0283141,0,-1.786725503,-16.38858565,2.233406879,6.253539262,25.01415705,0,0,0.005270222,7.54E-17,-1.88E-04,-0.001726452,2.35E-04,6.59E-04,0.002635111,0,0,0.223649841,3.60E-16,-0.007987494,-0.073264603,0.009984368,0.02795623,0.111824921,0,0,1.214869486,9.09E-16,-0.043388196,-0.397974487,0.054235245,0.151858686,0.607434743,0,0,0.102166793,-0.042705971,0.01026707,-0.023120998,0.011164651,-0.010235576,0.039367599,0,0,-0.099518284,-0.02855554,-0.291464603,0.070137215,0.089487362,0.402086988,0,0,8.17E-16,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,0,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,1.43E-14,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,1.61E-15,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,7.48E-16,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,-0.418002466,0.100493218,-0.226306391,0.109278668,-0.100184957,0.385326757,0,0,1.527399563,1.117012583,1.325574756,0.684674058,0.657708233,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.935881628,0.733662145,1.250053149,0.6797164,1.165228113,0,0,0,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,27.96203969,13.89173413,20.50536604,27.83448867,3.976355525,13.89173666,-0.178571429,2.22E-16,3.17E-17,-25.23055737,2000016.269,285716.6099,10.15606611,0,11.89,12.11009426,-0.163181251,0.057741111,5.809849799,7.769255455,7,21,21,21,7,0,0,0,0,0,15.304898,3.670058915,2.933810622,2.568356182,2.214034341,1.840573327,0.98819579,0.898836676,0.083923071,1.820055384,1.784392849,1.296410032,1.14153701,0.728697418,0.430007647,0.32530402,0.083923071,3.693122535,2.974228832,2.620054894,2.281999042,1.918428202,1.111527094,1.02732901,0.270913902,1.759669096,1.720804688,1.191241112,1.027268224,0.590909257,0.279396622,0.161003297,0.270913902,3.794799492,3.153618635,2.846743542,2.56645936,2.244248759,1.597243875,1.531069198,0.943918427,1.584305129,1.534222857,0.856807739,0.656619408,0.134098508,0.227674607,0.41162516,0.943918427,3.710123482,3.00414231,2.658192536,2.331360111,1.975003119,1.199329816,1.118667035,0.399277246,1.721399536,1.680334487,1.122087157,0.95158259,0.498863226,0.178221864,0.04938883,0.399277246,3.84455841,3.240986499,2.955115796,2.695693538,2.39175294,1.802727072,1.743066004,1.207644823,1.530440043,1.476327506,0.744668785,0.52944963,0.025930955,0.408464249,0.626104263,1.207644823,3.69742235,3.129789868,2.768810474,2.445685514,2.071696928,1.330336592,1.256370784,0.626865672,1.691948461,1.647492979,0.938117443,0.765204986,0.360295356,0.035765205,0.126771621,0.626865672,0,0,0,0,0,2,3,2,0,0,0,0.11785113,0.23570226,0.11785113,0,0,0.11785113,0.23570226,0.11785113,0.577350269,0,0,0,0.577350269,0,0,0,0.741581624,1.040440115,0.589255651,0.741581624,1.040440115,0.589255651,5.276020882,3.2876937,3.023395961,1.95700308,1.491624578,0.638071187,0,0,0.753717269,0.469670529,0.335932885,0.217444787,0.149162458,0.127614237,0,0,5.276020882,3.2876937,3.023395961,1.95700308,1.491624578,0.638071187,0,0,0.753717269,0.469670529,0.335932885,0.217444787,0.149162458,0.127614237,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.4425,32.179,22.47266809,30.16393587,44.94533619,6.420762312,22.47266809,3.33E-16,4.76E-17,-24.9467318,2000014.736,285716.3909,10.15606557,42,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,4.701388889,0,4.418981481,0,0,0,2.046296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.350694444,0,1.472222222,0,0,0,1.023148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.350694444,0,1.47337963,0,0,0,1.023148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.16666667,1.595238095,0.2,2.350694444,0.2,1.023148148,5.030625,0.310185185,0.350694444,1.402777778,0.310185185,0.350694444,1.402777778,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.28571,0.28571,0,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.88311,0.9833,6.88311,0,0,3.28768,0.46967,3.28768,0,0,0.12632,0.01805,0.21232,0.03033,0.238095238,7,0,0,0,0,0,0,1,0.918295834,1.437181403,2.534243613,2.796613851,2.606137661,2.534243613,19.28421252,30.18080947,53.21911587,58.72889087,54.72889087,53.21911587,0.209068641,0.327203447,0.576971874,0.636705771,0.593340009,0.576971874,3.474021589,2.95513602,1.85807381,1.595703572,1.786179762,1.85807381,0.209068641,0.327203447,0.576971874,0.636705771,0.593340009,0.576971874,6.73287657,12.9595034,15.50715994,15.77158323,13.48586895,15.50715994,27.64912502,20.43243106,19.72855157,19.09910259,22.28154241,19.72855157,5.142857143,1.851851852,1.185185185,0,0,0,2.23,0.9863,0.25,2.620741394,2.309401077,0,1.889881575,4.762203156,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.167,9,9,10,5,0,0,0,0,0,47,2.079441542,2.302585093,2.302585093,2.397895273,1.791759469,0,0,0,0,0,3.871201011,1,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,0,2,4,1,2,0.666666667,0.569444444,0,0,0,0,0,0,0,0.285714286,0.074074074,0.142361111,0,0,0,0,0,0,0,0.502149471,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,0,117.2718924,3.807354922,3.496507561,4.234106505,5.043425117,5.802118375,6.610696045,7.378383713,8.182838711,8.955835144,9.75643661,73.46034778,2.708050201,0,3.931825633,2.397895273,5.303304908,4.59511985,6.736966958,6.502790046,8.206583614,8.621913502,98.10955045,4.671883355,13.45353991,1.921934272,0,0,0,41,4,3.861,32,1.343117981,2.387748184,3.30076489,4.055729021,4.90477517,5.618364738,0,0,0,0,95.70321648,107.3145279,66.93564181,32.92165967,19.89113576,5.708618149,0,0,0,0,339.7181944,434.5736926,389.9333773,280.5345184,264.8975453,174.6398136,0,0,0,0,9.8140227,17.10377092,23.25362753,27.88951434,33.48908162,37.74678123,0,0,0,0,2.502707816,3.446192002,3.543437782,2.966017675,3.079844572,2.497997467,0,0,0,0,189.8352978,361.5686675,526.5937837,699.5695377,864.2433504,1038.934816,0,0,0,0,2.571827921,3.916571251,5.04690928,5.187680066,6.248886434,5.618364738,0,0,0,0,0.516208864,0.721163011,0.758827304,0.652475557,0.687198687,0.575320549,0,0,0,0,301.3907856,108.0771834,7.681875059,54.21747512,-19.44210732,-2.775911306,247.1733105,127.5192907,10.45778637,0.847535951,0.303922027,0.021602071,0.152464049,-0.054672823,-0.007806093,107.1770531,38.4331392,2.731738229,19.28018203,-6.913773969,-0.987136992,0.082656363,0.173762382,1.532306508,1.699488296,355.6082607,0,1,0,340.3421315,18.44836393,6.981872358,475.9606367,21.8165221,7.807710088,540.9259275,23.25781433,8.147904551,1.170540799,1.079704131,380.6148952,359.2357983,138.1975316,1.059512713,2.754136711,2.599437154,4.130397679,3.964631517,7.232820171,0.824336042,3.904607748,3.492871915,2.203786955,9.905142693,10.1560406,6.933149317,5.684510452,10.86158054,4.289390457,1.376926042,1.954472533,0.667930616,0.004424831,7.94E-04,2.75E-26,1.83E-70,2.36E-136,5.86E-224,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,3.492623452,0.747249648,3.211139567,1.164599427,2.579858486,0.302784826,0.42632748,0.460604942,0.098123644,0.023665484,0.00472018,3.12E-05,5.59E-06,1.94E-28,1.29E-72,1.66E-138,4.13E-226,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,3.492640606,0.979796962,4.165462939,2.373448994,3.191054992,1.007074656,1.52651488,0.918209089,0.328241316,0.168882175,0.049063152,3.25E-04,5.83E-05,2.02E-27,1.35E-71,1.73E-137,4.30E-225,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,3.492844831,2.09170778,9.349565538,9.383957741,6.568507993,5.215577745,9.858407852,3.940398327,1.287702623,1.748216559,0.595125095,0.003942445,7.07E-04,2.45E-26,1.63E-70,2.10E-136,5.22E-224,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,3.492662347,1.158662878,4.942926757,3.389305738,3.692988914,1.607604108,2.587548826,1.328522286,0.495388641,0.342473094,0.106532621,7.05E-04,1.27E-04,4.38E-27,2.92E-71,3.76E-137,9.35E-225,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,3.492985676,2.64477942,12.12771149,13.26636384,8.394678047,7.579111867,14.98955131,5.711667093,1.719697268,2.818123535,0.974062203,0.0064532,0.001157883,4.01E-26,2.67E-70,3.44E-136,8.55E-224,0,0,0,0,0,0,0,0,0,0,0,0,2.593793786,3.311288551,1.290460218,6.065826389,5.455404525,4.588287564,2.969007901,5.035033834,2.670022247,0.851099565,0.818632869,0.262551613,0.001738784,3.12E-04,1.08E-26,7.21E-71,9.28E-137,2.30E-224,0,0,0,0,0,0,0,0,0,0,0,0,3.841498335,1.325580748,1.152801804,0.607843471,0.209747742,0.495868308,0.385181716,0.554347888,6.319880886,11.04883432,23.23903127,0.411765207,1.435397913,3.067508003,0.813448624,0.602042661,0.684253511,0.181451874,0.316269641,0.144907374,0.150377324,4.482999288,4.831761619,10.81701398,0.526380267,0.611554339,3.374731392,1.016890157,0.820927487,0.647424392,0.195085005,0.382710194,0.226582341,0.280394025,5.212549036,7.036933978,15.06668543,0.471136588,0.889686559,3.822319267,1.312905142,1.139180464,0.609192321,0.209247756,0.490927953,0.377848408,0.541290478,6.274404873,10.86828995,22.8594927,0.413788481,1.410066839,3.511753166,1.107553856,0.918432365,0.63414923,0.20000108,0.414399007,0.268834102,0.351296901,5.537739386,8.131976831,17.24191827,0.451223844,1.03453001,3.901547992,1.365263976,1.195442174,0.603744128,0.211267453,0.511497925,0.40859339,0.596220488,6.462254141,11.62281207,24.4527598,0.405616192,1.516311802,3.839437477,1.313315945,1.142992541,0.609846315,0.208603707,0.495332478,0.378207276,0.545018408,6.295745962,10.93195318,22.99111839,0.414769473,1.418558162 +UMLS0193,L,"trans-1,3-dimethylcyclopentane",C[C@@H]1CC[C@H](C1)C,15656,Sandia values from independent API report ,Sandia,,C7H14,PubChem,,8,0,0.2418,0.05846724,35.9148,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1179.348079,1142.101302,959.569469,758.748484,606.355851,466.155986,281.592025,84.835296,3823.307636,4570.930941,5376.144415,4804.518492,3673.385169,3001.198312,2702.016388,2068.222976,1061.424631,154.382624,152.43046,269.01564,300.189236,210.43048,149.142252,168.475592,186.21226,123.32736,28.53578067,35.11192034,45.67750387,42.88055568,32.0805752,25.73477196,24.72432358,21.03814958,12.01662072,3603.201977,3031.276161,5978.638706,7088.53068,4869.904917,3263.769344,3876.645596,4616.702266,3137.747111,43.5,48.25,70,76.75,57.5,39.25,37,37,24,53.10626655,56.15943233,30.05529742,22.31556905,25.29161613,28.87408814,19.42316608,10.42933426,4.713072,173.7867107,217.6633782,141.4774846,111.7329882,122.4461723,142.9142053,112.5840162,76.60085098,58.96803508,7.017392,7.258593333,7.079358947,6.981145023,7.014349333,7.102012,7.019816333,6.89675037,6.85152,1.297080939,1.671996207,1.202039575,0.997222225,1.069352507,1.225465331,1.030180149,0.779190725,0.66759004,163.781908,144.3464838,157.3325975,164.8495507,162.3301639,155.4175878,161.5268998,170.9889728,174.3192839,1.977272727,2.297619048,1.842105263,1.784883721,1.916666667,1.869047619,1.541666667,1.37037037,1.333333333,0.046203753,0.001367201,-0.021739244,0.00210067,-5.02E-04,-0.013165071,5.14E-04,0.004920735,-0.001374424,616.3360458,-49.02673092,-162.0883757,61.03327726,-4.002182116,-181.0987407,-166.0905578,25.01363822,24.01309269,1146.103196,-91.16729966,-301.410256,113.4939853,-7.442228543,-336.7608416,-308.8524846,46.5139284,44.65337126,0.120736,-0.009604,-0.031752,0.011956,-7.84E-04,-0.035476,-0.032536,0.0049,0.004704,5.123614541,-0.407560248,-1.347444084,0.50737092,-0.033270224,-1.505477649,-1.380714308,0.207938902,0.199621346,27.8315555,-2.213873733,-7.319337649,2.756046893,-0.180724386,-8.177778484,-7.500062035,1.129527415,1.084346318,5.272727273,0.376033058,-1.061983471,-0.123966942,-1.099173554,-2.033057851,-0.388429752,0.869834711,-0.08677686,0.002100171,6.51E-05,-5.72E-04,4.89E-05,-1.67E-05,-6.27E-04,2.14E-05,1.82E-04,-7.64E-05,28.01527481,-2.334606234,-4.265483571,1.419378541,-0.133406071,-8.623749559,-6.920439908,0.926431045,1.334060705,52.0955998,-4.341299984,-7.931848842,2.639395007,-0.248074285,-16.03623055,-12.86885352,1.722738089,2.480742848,0.005488,-4.57E-04,-8.36E-04,2.78E-04,-2.61E-05,-0.001689333,-0.001355667,1.81E-04,2.61E-04,0.23289157,-0.019407631,-0.035459055,0.011799324,-0.001109007,-0.071689412,-0.057529763,0.007701441,0.011090075,1.265070705,-0.105422559,-0.192614149,0.064094114,-0.006024146,-0.389418023,-0.312502585,0.041834349,0.060241462,0.239669421,0.017906336,-0.027946933,-0.002882952,-0.036639118,-0.096812279,-0.016184573,0.0322161,-0.004820937,0.030999779,-0.272399477,0.023261341,-0.007972567,-0.29850343,0.010199657,0.086778409,-0.03635748,-0.083333333,-0.152255639,0.050664452,-0.004761905,-0.307823129,-0.24702381,0.033068783,0.047619048,-0.083333333,-0.152255639,0.050664452,-0.004761905,-0.307823129,-0.24702381,0.033068783,0.047619048,-0.083333333,-0.152255639,0.050664452,-0.004761905,-0.307823129,-0.24702381,0.033068783,0.047619048,-0.083333333,-0.152255639,0.050664452,-0.004761905,-0.307823129,-0.24702381,0.033068783,0.047619048,-0.083333333,-0.152255639,0.050664452,-0.004761905,-0.307823129,-0.24702381,0.033068783,0.047619048,0.074712644,-0.116606171,-0.012028869,-0.152873563,-0.403940887,-0.067528736,0.134418902,-0.020114943,1.105659887,1.289153846,1.084153106,1.353848316,1.471917525,0.642165143,0.54638114,0.58248561,1.375,1.194078947,0.863372093,0.9625,1.375,1.203125,0.763888889,0.6875,1.375,1.194078947,0.863372093,0.9625,1.375,1.203125,0.763888889,0.6875,1.375,1.194078947,0.863372093,0.9625,1.375,1.203125,0.763888889,0.6875,1.375,1.194078947,0.863372093,0.9625,1.375,1.203125,0.763888889,0.6875,1.375,1.194078947,0.863372093,0.9625,1.375,1.203125,0.763888889,0.6875,0.995689655,1.100499093,1.204089816,1.593103448,1.517241379,0.580818966,0.405651341,0.663793103,38.53033748,19.26516874,30.31407693,38.53033748,4.816292185,19.26516876,1.07E-14,0,0,0,58.6372194,7.329652425,3.257095711,38.53033748,19.26516874,30.31407693,38.53033748,4.816292185,19.26516876,1.07E-14,0,0,0,58.6372194,7.329652425,3.257095711,38.53033748,19.26516874,30.31407693,38.53033748,4.816292185,19.26516876,1.07E-14,0,0,0,58.6372194,7.329652425,3.257095711,38.53033748,19.26516874,30.31407693,38.53033748,4.816292185,19.26516876,1.07E-14,0,0,0,58.6372194,7.329652425,3.257095711,38.53033748,19.26516874,30.31407693,38.53033748,4.816292185,19.26516876,1.07E-14,0,0,0,58.6372194,7.329652425,3.257095711,38.53033748,19.26516874,30.31407693,38.53033748,4.816292185,19.26516876,1.07E-14,0,0,0,58.6372194,7.329652425,3.257095711,45.5753634,22.52279274,35.09217566,45.3878634,5.673482925,22.52279274,-0.375,5.55E-16,6.94E-17,-28.10189013,104.4682583,13.05853228,3.719106621,0,11.89,12.11011416,-0.165187158,0.05581999,5.032546819,6.677685149,7,21,20,20,6,0,0,1,0,1,15.304898,3.542796752,3.206090085,2.858745342,2.295078277,1.883945778,1.389161221,1.218535195,0.083923071,1.857485322,1.733537382,1.383106621,1.144408948,0.763948573,0.642256717,0.366070664,0.083923071,3.559808502,3.242647022,2.894549089,2.358272468,1.951253357,1.494469185,1.32693186,0.270913902,1.803703367,1.658883504,1.306840954,1.033584378,0.647663886,0.495282412,0.25648957,0.270913902,3.642010504,3.402216059,3.051085734,2.628243739,2.23269962,1.920124367,1.749446163,0.943918427,1.65988074,1.433748493,1.082136753,0.680097728,0.285816071,0.002410288,0.176953871,0.943918427,3.57273381,3.269532091,2.920886118,2.404505431,2.0001399,1.570146997,1.403964684,0.399277246,1.770640597,1.610832525,1.258287881,0.96061356,0.572227172,0.396395882,0.177247941,0.399277246,3.686446144,3.478908363,3.126733329,2.75337769,2.360589014,2.104931627,1.922846413,1.207644823,1.620027962,1.362019587,1.011581137,0.561359267,0.163815927,0.18174923,0.349091007,1.207644823,3.678135729,3.221121503,3.013027372,2.421221325,2.070723338,1.600310866,1.460490752,0.533333333,1.764728654,1.639750558,1.140708381,0.915971968,0.464379922,0.334603858,0.004887544,0.533333333,0,2,0,0,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.828427125,3.371320344,1.853553391,0.875,0.426776695,0.239276695,0.125,0.0625,0.728553391,0.481617192,0.308925565,0.175,0.106694174,0.079758898,0.0625,0.0625,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.66959,36.947,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,2,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.171944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.837222222,0.761111111,0,0,0,0,0,0,0,0,0,0,4.306797052,0,4.521258503,0,0,0,0,0,6.171944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.085972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.25125,0.380555556,0,0,0,0,0,0,0,0,0,0,2.153398526,0,1.069444444,0,0,0,0,0,3.085972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.085972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380555556,0.380555556,0,0,0,0,0,0,0,0,0,0,2.153398526,0,1.191184807,0,0,0,0,0,3.085972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15,1.875,0.380555556,3.085972222,0.181388889,1.069444444,4.811275981,0.430555556,0.585972222,2.957482993,0.430555556,0.585972222,2.957482993,4,0.5,0,0,0.44545,0.7,0.42308,0.42308,0.7,0.02238,0.02238,0,0,0.71429,0,0,0.25,0,0,5.5,0.6875,3.5,0.4375,2,0.25,-1.5,-0.1875,0,0,6.28952,0.78619,7.95768,1.66816,0.20852,3.15824,0.39478,3.91421,0.75597,0.0945,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,1,0.945660305,1.672933032,2.663532755,2.663532755,2.481714573,2.040373394,20.8045267,36.8045267,58.59772061,58.59772061,54.59772061,44.88821466,0.212058483,0.375144901,0.597280771,0.597280771,0.556509166,0.457541133,3.513771314,2.786498587,1.795898864,1.795898864,1.977717046,2.419058225,0.209052139,0.369826488,0.588813148,0.588813148,0.548619561,0.451054592,6.786633838,15.51390657,16.51225776,16.51225776,14.33043958,13.88564489,31.28312609,20.90511218,21.74036979,21.74036979,24.92458423,25.23906415,8,7,7.2,8,2,8,2.34,1.1498,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.113,0.096,0.161,0.08,3.1,6,5,4,3,2,1,0,0,0,36,2.302585093,2.397895273,2.48490665,2.564949357,2.302585093,1.945910149,1.386294361,0,0,0,4.234106505,1.888888889,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,4,0.571428571,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,141.6514183,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,110.1095504,5.004979566,14.83110795,1.853888494,0,0,0,84,5,3.682,26,1.229809524,2.127348653,2.91951107,3.833523086,5.299612267,6.073521029,7.122265547,8.060742987,9.453369179,0,79.35687146,73.38446218,78.8042692,119.0063123,170.1221623,134.6508676,83.86631961,41.69821637,9.605228102,0,291.7301475,327.6474687,363.3040963,537.7707891,799.1350337,742.4825654,578.4159419,503.2885017,293.8461116,0,8.959618463,15.11949346,20.45795403,27.0663651,37.70390427,42.81259702,49.21696526,55.36177015,63.51212051,0,2.186701859,2.719040868,3.132043447,4.533109254,6.727655669,6.64876557,5.766719663,5.604872882,4.203089931,0,175.4684249,330.4600799,475.8970781,609.2692408,819.3289785,967.6087749,1210.565943,1394.514917,1748.094832,0,2.919214286,4.090396861,5.476929617,7.843781296,10.10940402,9.730896884,9.998356065,11.0819235,9.453369179,0,0.452472857,0.573724509,0.666583482,0.959957688,1.422324524,1.420763541,1.257052832,1.241134521,0.968025004,0,419.2007065,178.0039611,11.32799576,172.4015073,-73.20634418,-10.84738484,246.7991992,251.2103053,22.1753806,0.708585426,0.300884542,0.019147994,0.291414574,-0.123742512,-0.018335606,248.000066,105.3075374,6.70166737,101.9931134,-43.30903528,-6.417336883,0.094150229,0.24207426,2.453533591,3.776002878,591.6022138,0,1,0,479.6336824,21.90054069,7.827742991,615.2521876,24.80427761,8.505197226,709.1746855,26.63033394,8.917663383,2.799789414,2.799789414,964.7497748,946.4929,45.73380127,1.019288972,21.09489585,20.69569714,4.449750168,5.508450727,9.883359694,0.794217682,3.91577913,5.622304094,2.9804238,10.02085333,4.293046668,5.151588799,0.499803633,2.820577996,8.402069187,5.686272113,3.236727624,2.820819075,8.847597282,2.883415723,2.700762431,0.058644673,0.969895171,0.991770587,0.491243373,3.21E-17,7.07E-55,3.13E-114,2.68E-195,4.44E-298,0,0,0,0,0,0,0.338858053,5.6220141,0.213746513,3.626455769,0.035835742,2.25767323,0.149824761,0.236652596,1.821211849,0.35108425,0.34702559,0.414088541,0.214424489,0.024919697,0.086401319,0.054676076,0.022417079,0.008932338,0.003459867,2.26E-19,4.98E-57,2.21E-116,1.89E-197,3.12E-300,0,0,0,0,0,0,1.068983902,5.622034029,0.713971479,4.185072613,0.329339617,2.836626988,0.221209269,0.763970927,2.553880698,1.21644795,0.792416717,0.90535327,1.031924061,0.218729273,0.371331979,0.055486151,0.111196672,0.077793126,0.036054484,2.35E-18,5.19E-56,2.30E-115,1.97E-196,3.26E-299,0,0,0,0,0,0,3.696802585,5.62227245,2.788227289,9.365264878,3.828836219,4.97026644,0.478359201,2.662350923,7.783175119,5.280531569,3.008717446,2.673480657,7.98487174,2.570568163,2.452725572,0.058401718,0.874879838,0.884990512,0.437689001,2.86E-17,6.30E-55,2.79E-114,2.39E-195,3.95E-298,0,0,0,0,0,0,1.570192408,5.622059369,1.076515438,4.790231316,0.70169383,3.237551223,0.270228423,1.125992853,3.238141927,1.876902845,1.141056531,1.242591189,1.873617342,0.46747468,0.640776927,0.056042242,0.203205186,0.164185413,0.078315158,5.11E-18,1.13E-55,5.00E-115,4.28E-196,7.07E-299,0,0,0,0,0,0,4.726550715,5.622437029,3.717954217,12.74809981,6.242966819,5.827666019,0.57922426,3.406468198,10.93882836,7.278386269,4.138972222,3.366347035,12.42135074,4.19827056,3.719034527,0.059544225,1.363717852,1.440052912,0.716432291,4.68E-17,1.03E-54,4.57E-114,3.92E-195,6.47E-298,0,0,0,0,0,0,1.923821346,4.783026444,1.581803853,5.346853449,1.2422676,4.337372679,0.361400591,1.802171053,4.505526909,3.322499902,1.266833963,1.428840334,2.914176893,0.826431943,0.892864137,0.064260084,0.333492283,0.289308044,0.139731448,9.12E-18,2.01E-55,8.91E-115,7.64E-196,1.26E-298,0,0,0,0,0,0,10.97520162,0.73025325,0.487680519,0.90011316,0.059890523,0.651168816,0.523326325,0.420354997,12.19313538,13.72319895,29.824936,0.850169739,1.594850138,8.470740595,0.290505539,0.126241022,0.953108617,0.032687028,0.387812213,0.082242269,0.028167377,8.887487157,3.566825732,12.76496643,0.929662926,0.498221858,9.424405709,0.457988327,0.26387635,0.928854185,0.045138589,0.480090743,0.20505065,0.123068338,10.14627039,6.923997872,18.20922925,0.893281277,0.80820973,10.9088911,0.71861322,0.478111087,0.901143043,0.059361973,0.643320925,0.506704905,0.404020153,12.10561541,13.39851209,29.25217101,0.851714564,1.554045983,9.866399233,0.535596279,0.327664115,0.919544475,0.04991736,0.52619743,0.280778158,0.18975934,10.72965963,8.692767376,21.15393746,0.879316713,0.996734928,11.18432523,0.76696156,0.51785955,0.896959978,0.061508746,0.676230475,0.577510081,0.473990218,12.46914634,14.76703552,31.67835391,0.845439967,1.727730774,10.89333899,0.716661813,0.47776785,0.901186919,0.059288181,0.641490819,0.504021627,0.403440268,12.08776865,13.3537252,29.17135105,0.851780378,1.548952715 +UMLS0194,L,4-octyne,CCCC#CCCC,16029,,UML,[1],C8H14,PubChem,,-6.3,0,-0.64,0.4096,33.7033,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,1864.442842,1358.168118,1048.469021,843.58378,525.761042,141.39216,12.192768,4371.159516,5876.91121,8447.051418,7895.772654,5990.278101,4734.809801,3502.884042,1769.041052,373.0049332,188.796996,195.98202,384.589288,530.70396,450.390452,333.75784,270.849224,205.5456,80.621568,33.10313229,45.14389758,70.19563559,73.27569674,56.67562801,44.09719592,34.06924277,20.0277012,5.335354858,4469.666941,3897.355064,8323.286703,12496.78781,10965.9484,8007.652027,6523.229959,5229.578518,2219.011824,39.52777778,48.58333333,83.5,103,84.33333333,64.5,54,37,12,48.76541633,56.15943233,34.5267193,17.87063313,16.13029263,17.57466208,13.48105236,4.713072,1.016064,161.8947969,217.6633782,156.4268781,103.8917455,92.15812463,98.64187085,89.81753955,58.96803508,31.08374443,6.992481333,7.258593333,7.122023852,6.982946842,6.929083877,6.953288333,6.944851897,6.85152,6.718464,1.226041937,1.671996207,1.299919178,0.964153904,0.871932739,0.918691582,0.873570327,0.66759004,0.444612905,165.54322,144.3464838,154.134939,164.4314186,168.7068984,166.8260839,167.2623067,174.3192839,184.917652,1.46399177,1.799382716,1.546296296,1.355263158,1.297435897,1.34375,1.384615385,1.233333333,1,0.037072334,-0.001625875,-0.01392983,-0.012247638,0.006577495,0.001818834,-0.005133968,-0.001256957,0.007261773,726.396054,7.32E-13,-242.132018,-269.0355756,107.6142302,-3.30E-13,-121.066009,-5.01E-13,161.4213453,1350.764481,-5.26E-13,-450.2548269,-500.283141,200.1132564,-2.20E-13,-225.1274134,6.39E-14,300.1698846,0.142296,2.04E-15,-0.047432,-0.052702222,0.021080889,-4.45E-16,-0.023716,-1.12E-15,0.031621333,6.038545709,1.67E-14,-2.01284857,-2.236498411,0.894599364,-3.55E-15,-1.006424285,-9.33E-15,1.341899046,32.80147613,-2.00E-13,-10.93382538,-12.14869486,4.859477945,4.35E-14,-5.466912688,1.11E-13,7.289216918,1.995884774,-0.345679012,-0.602880658,-0.432860844,0.194063405,0.35299497,-0.256401463,-0.291723823,0.384545039,0.001373049,-6.02E-05,-2.58E-04,-1.61E-04,1.01E-04,3.79E-05,-1.32E-04,-4.19E-05,6.05E-04,26.90355756,2.71E-14,-4.483926259,-3.539941784,1.655603542,-6.88E-15,-3.104256641,-1.67E-14,13.45177878,50.0283141,-1.95E-14,-8.33805235,-6.582672908,3.078665483,-4.59E-15,-5.77249778,2.13E-15,25.01415705,0.005270222,7.55E-17,-8.78E-04,-6.93E-04,3.24E-04,-9.27E-18,-6.08E-04,-3.75E-17,0.002635111,0.223649841,6.19E-16,-0.037274974,-0.029427611,0.013763067,-7.40E-17,-0.025805751,-3.11E-16,0.111824921,1.214869486,-7.40E-15,-0.202478248,-0.159851248,0.074761199,9.07E-16,-0.140177248,3.70E-15,0.607434743,0.073921658,-0.012802926,-0.011164457,-0.005695537,0.002985591,0.007354062,-0.006574396,-0.009724127,0.03204542,-0.043856837,-0.187873656,-0.11736878,0.073698895,0.027597245,-0.095874342,-0.03051497,0.440732651,1.01E-15,-0.166666667,-0.131578947,0.061538462,-2.56E-16,-0.115384615,-6.21E-16,0.5,-3.89E-16,-0.166666667,-0.131578947,0.061538462,-9.17E-17,-0.115384615,4.26E-17,0.5,1.43E-14,-0.166666667,-0.131578947,0.061538462,-1.76E-15,-0.115384615,-7.12E-15,0.5,2.77E-15,-0.166666667,-0.131578947,0.061538462,-3.31E-16,-0.115384615,-1.39E-15,0.5,-6.09E-15,-0.166666667,-0.131578947,0.061538462,7.46E-16,-0.115384615,3.05E-15,0.5,-0.173195876,-0.151030928,-0.077048291,0.04038858,0.099484536,-0.088937351,-0.131546392,0.433505155,1.489732056,1.335583277,1.042506351,0.792140882,0.89143286,1.058751384,0.793493797,0.004266865,1.444444444,1.364197531,1.083333333,0.8,0.902777778,1,0.722222222,0,1.444444444,1.364197531,1.083333333,0.8,0.902777778,1,0.722222222,0,1.444444444,1.364197531,1.083333333,0.8,0.902777778,1,0.722222222,0,1.444444444,1.364197531,1.083333333,0.8,0.902777778,1,0.722222222,0,1.444444444,1.364197531,1.083333333,0.8,0.902777778,1,0.722222222,0,1.675257732,1.145876289,0.895116658,0.768247423,0.791559278,1.336082474,1.194123711,0,45.56524589,22.78262294,35.72395513,45.56524589,5.062805099,22.78262295,1.42E-14,0.171643273,0.019071475,-1.586103258,41.71026418,4.634473798,3.357672518,45.56524589,22.78262294,35.72395513,45.56524589,5.062805099,22.78262295,1.42E-14,0.171643273,0.019071475,-1.586103258,41.71026418,4.634473798,3.357672518,45.56524589,22.78262294,35.72395513,45.56524589,5.062805099,22.78262295,1.42E-14,0.171643273,0.019071475,-1.586103258,41.71026418,4.634473798,3.357672518,45.56524589,22.78262294,35.72395513,45.56524589,5.062805099,22.78262295,1.42E-14,0.171643273,0.019071475,-1.586103258,41.71026418,4.634473798,3.357672518,45.56524589,22.78262294,35.72395513,45.56524589,5.062805099,22.78262295,1.42E-14,0.171643273,0.019071475,-1.586103258,41.71026418,4.634473798,3.357672518,45.56524589,22.78262294,35.72395513,45.56524589,5.062805099,22.78262295,1.42E-14,0.171643273,0.019071475,-1.586103258,41.71026418,4.634473798,3.357672518,49.19280152,24.54933286,38.79070061,49.11958479,5.457731643,24.54933286,-0.094135802,0.124667785,0.013851976,-1.873892519,38.95027515,4.32780835,3.296057253,0,11.9,12.1001487,-0.151266796,0.048897627,5.193495981,8.548818489,9,27,27,27,9,0,0,0,0,0,19.677726,3.660863672,3.285381105,2.76948047,2.459820995,2.263996146,1.735943527,1.257963203,1.19006016,1.896836388,1.724171079,1.665216142,1.293014981,0.888429861,0.757863935,0.633562799,0.560790128,3.684671296,3.319368665,2.8140429,2.510897621,2.32208987,1.821844876,1.372080091,1.30885592,1.83861344,1.655976007,1.592730563,1.19369725,0.761659068,0.62194973,0.488824221,0.407093666,3.789285398,3.467814757,3.009774687,2.734801489,2.573655847,2.178550892,1.826542856,1.778468089,1.669197461,1.452583651,1.37475354,0.882667505,0.348325709,0.172849073,0.003446808,0.120265824,3.702202562,3.344363718,2.846915285,2.548571849,2.364778502,1.884136477,1.453640313,1.39352899,1.801696726,1.612285733,1.546125468,1.128766247,0.677488076,0.531260614,0.391745447,0.303228991,3.840274167,3.539319073,3.103899217,2.841861735,2.69211622,2.338161778,2.021060612,1.978039144,1.616965201,1.38842831,1.305525168,0.780134221,0.206238368,0.016182923,0.169000196,0.313725571,3.703393347,3.434714538,2.956062727,2.613065204,2.460867619,2.023789332,1.616924043,1.559160296,1.763820377,1.550688261,1.444640639,0.967439832,0.505353253,0.368525191,0.215875255,0.107368995,0,0,0,0,0,1,7,1,0,0,0,0.144337567,0.102062073,0.072168784,0,0,0.144337567,0.102062073,0.072168784,0.204124145,0,0,0,0.204124145,0,0,0,0.433012702,0.612372436,0.390737207,0.433012702,0.612372436,0.390737207,6.527097737,4.431851653,3.292710979,2.440670698,1.791837386,0.90104757,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.221879154,0.149319782,0.112630946,0.082133213,0.06159991,6.527097737,4.431851653,3.292710979,2.440670698,1.791837386,0.90104757,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.221879154,0.149319782,0.112630946,0.082133213,0.06159991,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.3668,41.483,34.48494613,51.83729427,68.96989226,7.663321362,34.48494613,0.147136647,0.016348516,-1.7247542,45.42740457,5.047489396,3.434503993,86,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,1,0,7,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,2.286658163,0,10.43098073,0,0,0,1.115694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.286658163,0,1.385416667,0,0,0,1.115694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.286658163,0,1.527777778,0,0,0,1.115694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.83333333,1.537037037,0.2,2.286658163,0.2,1.115694444,6.489739175,0.217638889,0.286658163,0.738518519,0.217638889,0.286658163,0.738518519,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.11111,0.11111,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,9.2991,1.03323,9.2991,0,0,4.43185,0.49243,4.43185,0,0,-0.01785,-0.00198,0.06815,0.00757,0.185185185,9,0,0,0,0,0,0,1,0.918295834,1.247104744,2.252382635,2.911389817,2.976516671,3.306020262,24.79398752,33.67182808,60.81433114,78.60752505,80.36595013,89.26254708,0.193126721,0.262278496,0.473698407,0.612294153,0.625990977,0.69528885,3.836591668,3.507782759,2.502504867,1.843497686,1.778370831,1.44886724,0.193126721,0.262278496,0.473698407,0.612294153,0.625990977,0.69528885,6.73287657,10.67858349,15.82059603,15.47094556,17.67195961,17.18980639,35.54887502,30.33929922,23.96075827,25.1026477,21.88005118,21.73923557,7.111111111,3.92,2.380165289,4,0,4,2.45,1.2681,0,2.05068489,0.25,0,9.206272384,4.445544946,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,4.393,10,11,12,8,6,4,2,0,0,71,2.302585093,2.397895273,2.48490665,2.564949357,2.197224577,1.945910149,1.609437912,1.098612289,0,0,4.276666119,1,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,4,0.444444444,1,3,6,1,1,0.444444444,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0.111111111,0.044444444,0.037037037,0.025,0.02,0.027777778,0,0,0,0,0.26537037,22.78262294,35.72395513,45.56524589,5.062805099,22.78262295,0.171643273,0.019071475,-1.586103258,41.71026418,4.634473798,3.357672518,0,151.8638616,4.169925001,3.663561646,4.394449155,5.153291594,5.910796644,6.680854679,7.44716836,8.22067217,8.990566138,9.765316843,78.22667723,2.944438979,0,4.077537444,2.397895273,5.379897354,4.442651256,6.765038977,6.259581464,8.199464198,8.59822003,126.1408506,4.671883355,17.59254002,1.954726668,0,0,0,99,6,5.06,38,1.322351022,2.339635292,3.131560841,3.899407842,5.108606317,6.204524914,7.350130683,8.5441834,0,0,92.70728943,91.60856492,65.81762093,78.60548222,107.1564182,97.95277358,37.67621489,8.681437162,0,0,330.9230363,396.8289066,353.0425859,410.466677,557.9420492,608.9970915,456.3103074,265.5852132,0,0,9.657429115,16.7325229,21.9284977,27.16032195,35.66176715,43.25048942,50.46878031,57.40378858,0,0,2.444790845,3.229362156,3.187004664,3.730956711,5.03633097,5.768836123,5.08989461,3.798854201,0,0,187.2021646,355.6203245,510.5686797,647.3462646,841.908539,1025.561239,1272.570332,1579.970333,0,0,2.468202308,3.713067505,4.332502147,5.266672173,7.096899568,8.879834499,9.259412805,8.5441834,0,0,0.50452745,0.678666024,0.682869397,0.80133006,1.079985995,1.245703869,1.12742693,0.87492438,0,0,367.7790525,172.572938,9.485025799,53.87153995,-25.27813876,-2.927528984,313.9075125,197.8510768,12.41255478,0.872236537,0.409279487,0.02249499,0.127763463,-0.059950441,-0.006943021,155.0742554,72.76548154,3.999366747,22.71496673,-10.65854219,-1.23439433,0.06367742,0.138878209,0.774771225,1.253481796,421.6505924,0,1,0,464.5052698,21.55238432,7.744562373,638.8719193,25.2759158,8.612672499,766.0295146,27.6772382,9.14987514,1.789025819,1.789025819,1010.886721,959.6387104,121.344931,1.053403442,8.330687667,7.908354326,4.941179934,5.645455692,10.04009543,0.778438442,5.020209962,5.389929832,2.76154237,20.3162964,12.46544722,7.474705367,9.813123492,20.50813935,5.142177285,5.1814266,5.199423946,4.833497145,3.535245578,3.953551085,2.845428925,1.096576765,1.470203792,0.60593907,1.659813897,6.52E-10,9.62E-41,2.74E-93,1.51E-167,1.59E-263,0,0,0,0,0,0,0.421311435,5.389574021,0.788237171,6.362507002,0.742116104,1.868276427,0.675948931,0.867523261,1.16678651,1.277410726,1.22679591,0.128201386,0.333972703,0.118411315,0.107668277,0.387178404,0.107265275,0.018043126,0.011690205,4.59E-12,6.78E-43,1.93E-95,1.06E-169,1.12E-265,0,0,0,0,0,0,1.360044669,5.389598506,1.115945319,8.045485435,1.890723634,2.484340247,1.995923126,2.983956524,1.752067267,1.948419892,1.841053622,0.594636361,0.713420988,0.522714493,0.433970703,0.437261365,0.356886481,0.079864289,0.121820949,4.78E-11,7.06E-42,2.01E-94,1.10E-168,1.17E-264,0,0,0,0,0,0,4.738668689,5.389891018,2.614175273,19.04981531,11.30753489,6.944578912,9.060907547,18.63620326,4.818791276,4.897892061,4.886657658,4.370675742,3.242333908,3.584854986,2.595562747,1.019638977,1.376653741,0.549366015,1.478864299,5.81E-10,8.58E-41,2.44E-93,1.34E-167,1.42E-263,0,0,0,0,0,0,2.004455605,5.389629609,1.363201132,9.546795339,3.048687178,3.064120222,3.063900828,4.998784179,2.221002054,2.446424126,2.321108879,1.061512986,1.05525654,0.912649525,0.727010918,0.499766186,0.536730676,0.139577703,0.26461138,1.04E-10,1.53E-41,4.37E-94,2.40E-168,2.54E-264,0,0,0,0,0,0,6.062630571,5.390092881,3.337336428,25.47357352,17.25251033,9.649741486,12.8172012,28.1993017,6.430381637,6.281791805,6.436442395,6.745550792,4.729824696,5.470713345,3.863973733,1.419489636,1.828058863,0.838773497,2.420682576,9.51E-10,1.40E-40,4.00E-93,2.20E-167,2.33E-263,0,0,0,0,0,0,3.344863365,5.239658369,1.825609081,12.9668544,6.120821978,4.339391448,5.452990317,10.12299901,3.466671265,3.592858245,3.449083658,2.302846612,2.032450384,1.930610216,1.445659931,0.794902352,0.889120595,0.332328439,0.702571828,2.76E-10,4.07E-41,1.16E-93,6.37E-168,6.75E-264,0,0,0,0,0,0,8.37896046,1.182322505,0.763254676,0.811557936,0.114515782,0.532385249,0.359793172,0.436516033,10.32453764,17.20432745,35.09014944,0.717336904,1.328694454,7.353750306,0.684575725,0.277766893,0.884279478,0.082319393,0.410324378,0.120585121,0.057996576,8.316092924,7.266979792,16.98140651,0.826419216,0.588906075,7.760887043,0.882257644,0.470637287,0.851555048,0.096804778,0.456896963,0.200301244,0.166313692,9.113781974,10.91488808,23.25117152,0.777332571,0.8235119,8.353574942,1.169999007,0.751240259,0.813014695,0.113870575,0.529171121,0.352328547,0.422920605,10.27481421,16.92816654,34.54535843,0.719522043,1.304420273,7.94238367,0.970375593,0.556585552,0.838746906,0.102475473,0.478465414,0.242323488,0.232474017,9.469344815,12.6678083,26.42681099,0.75812036,0.953262919,8.458437012,1.220904306,0.800867113,0.807086717,0.116496186,0.542510958,0.383669747,0.480458341,10.48020843,18.07880831,36.82952511,0.710630075,1.406639047,8.379977737,1.172321793,0.753811581,0.813107645,0.11375016,0.532501013,0.353762673,0.425758023,10.30611111,17.02466453,34.73624362,0.719661468,1.312021709 +UMLS0195,L,n-butylcyclopentane,CCCCC1CCCC1,16269,,"Sandia, UML",[3],C9H18,PubChem,,1,0,-0.352,0.123904,30.7917,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1670.734305,1161.411389,851.712292,525.761042,141.39216,12.192768,0,3885.475125,5223.921076,7533.504307,6888.974309,4983.479756,3502.884042,1769.041052,373.0049332,0,167.819552,174.20624,341.85978,467.81906,387.505552,270.849224,205.5456,80.621568,0,29.42500648,40.12790896,62.50794544,64.25416788,47.65409916,34.06924277,20.0277012,5.335354858,0,3973.037281,3464.315612,7399.084504,11017.83266,9486.993243,6523.229959,5229.578518,2219.011824,0,35.27777778,43.33333333,74.25,90.66666667,72.5,54,37,12,0,48.76541633,56.15943233,34.80696469,17.33449834,15.20914807,13.48105236,4.713072,1.016064,0,161.8947969,217.6633782,156.9480064,102.8205121,88.99070993,89.81753955,58.96803508,31.08374443,0,6.992481333,7.258593333,7.12207875,6.98237403,6.919742,6.944851897,6.85152,6.718464,0,1.226041937,1.671996207,1.302248863,0.959017431,0.850966056,0.873570327,0.66759004,0.444612905,0,165.54322,144.3464838,154.1475938,164.4452636,169.4105936,167.2623067,174.3192839,184.917652,0,1.469907407,1.805555556,1.546875,1.353233831,1.294642857,1.384615385,1.233333333,1,0,0.032888157,-0.001637627,-0.011866081,-0.01197559,0.008087382,-0.005059163,-0.001254792,0.007261791,0,645.6853813,6.47E-13,-201.7766817,-269.0355756,107.6142302,-121.066009,-5.01E-13,161.4213453,0,1200.679538,0,-375.2123557,-500.283141,200.1132564,-225.1274134,1.42E-13,300.1698846,0,0.126485333,2.94E-15,-0.039526667,-0.052702222,0.021080889,-0.023716,-1.83E-15,0.031621333,0,5.367596186,1.22E-14,-1.677373808,-2.236498411,0.894599364,-1.006424285,-7.13E-15,1.341899046,0,29.15686767,-1.14E-13,-9.111521147,-12.14869486,4.859477945,-5.466912688,6.99E-14,7.289216918,0,1.828703704,-0.347222222,-0.518518519,-0.514853395,0.617283951,-0.256365741,-0.28587963,0.391203704,0,0.00137034,-6.82E-05,-2.47E-04,-1.79E-04,1.44E-04,-1.30E-04,-4.18E-05,6.05E-04,0,26.90355756,2.69E-14,-4.203680868,-4.015456352,1.921682683,-3.104256641,-1.67E-14,13.45177878,0,50.0283141,0,-7.816924078,-7.466912552,3.573451007,-5.77249778,4.74E-15,25.01415705,0,0.005270222,1.22E-16,-8.23E-04,-7.87E-04,3.76E-04,-6.08E-04,-6.11E-17,0.002635111,0,0.223649841,5.07E-16,-0.034945288,-0.033380573,0.015974989,-0.025805751,-2.38E-16,0.111824921,0,1.214869486,-4.74E-15,-0.189823357,-0.181323804,0.086776392,-0.140177248,2.33E-15,0.607434743,0,0.076195988,-0.014467593,-0.010802469,-0.007684379,0.011022928,-0.006573481,-0.009529321,0.032600309,0,-0.049793812,-0.180400513,-0.130434897,0.105388115,-0.094664196,-0.030522641,0.441605224,0,1.00E-15,-0.15625,-0.149253731,0.071428571,-0.115384615,-6.21E-16,0.5,0,0,-0.15625,-0.149253731,0.071428571,-0.115384615,9.47E-17,0.5,0,2.32E-14,-0.15625,-0.149253731,0.071428571,-0.115384615,-1.16E-14,0.5,0,2.26E-15,-0.15625,-0.149253731,0.071428571,-0.115384615,-1.06E-15,0.5,0,-3.90E-15,-0.15625,-0.149253731,0.071428571,-0.115384615,1.92E-15,0.5,0,-0.189873418,-0.141772152,-0.100850179,0.144665461,-0.086270691,-0.125063291,0.427848101,0,1.488605628,1.315803524,1.046096484,0.752117971,1.054393045,0.791181367,0.004254605,0,1.4375,1.34765625,1.094216418,0.770089286,0.995192308,0.71875,0,0,1.4375,1.34765625,1.094216418,0.770089286,0.995192308,0.71875,0,0,1.4375,1.34765625,1.094216418,0.770089286,0.995192308,0.71875,0,0,1.4375,1.34765625,1.094216418,0.770089286,0.995192308,0.71875,0,0,1.4375,1.34765625,1.094216418,0.770089286,0.995192308,0.71875,0,0,1.688607595,1.113607595,0.902097109,0.655063291,1.289970789,1.152911392,0,0,34.64041819,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,3.55E-15,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,34.64041819,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,3.55E-15,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,34.64041819,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,3.55E-15,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,34.64041819,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,3.55E-15,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,34.64041819,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,3.55E-15,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,34.64041819,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,3.55E-15,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,37.71871477,18.81248238,29.35679057,37.64840227,4.706050283,18.8124824,-0.09375,0.119028274,0.014878534,-1.702715376,42.34760396,5.293450495,2.996729474,0,11.9,12.10012615,-0.151266825,0.048875396,5.259996263,8.391630245,8,24,24,24,8,0,0,0,0,0,17.491312,3.6567187,3.180951317,2.573024244,2.459820995,2.005678821,1.381928873,1.19006016,0.894438791,1.877259681,1.724171079,1.580445998,1.113224603,0.757863935,0.694816327,0.581995608,0.341460107,3.6806131,3.217776079,2.62142375,2.510897621,2.077203467,1.488518974,1.30885592,1.024518777,1.818620119,1.655976007,1.501159025,1.000668144,0.62194973,0.5547587,0.430761689,0.178603058,3.785626259,3.37852753,2.834266703,2.734801489,2.37973263,1.91761404,1.778468089,1.532127056,1.648286645,1.452583651,1.259608887,0.640589985,0.172849073,0.089316143,0.085436307,0.387981694,3.698209366,3.244859416,2.657155352,2.548571849,2.12937023,1.56499256,1.39352899,1.116809137,1.781464012,1.612285733,1.449902772,0.926476281,0.531260614,0.46111033,0.328739698,0.068039495,3.83681691,3.455783686,2.936493816,2.841861735,2.518216663,2.103320642,1.978039144,1.744985306,1.595874611,1.38842831,1.181990323,0.51921808,0.016182923,0.074111228,0.273467612,0.59975609,3.699262192,3.355402744,2.759134657,2.610468539,2.248749545,1.721877924,1.556921198,1.279604153,1.744507878,1.553333565,1.321993874,0.749890553,0.370812929,0.289136276,0.140230216,0.127673528,0,0,0,0,0,1,6,1,0,0,0,0.144337567,0.102062073,0.072168784,0,0,0.144337567,0.102062073,0.072168784,0.204124145,0,0,0,0.204124145,0,0,0,0.433012702,0.65464793,0.348461713,0.433012702,0.65464793,0.348461713,5.819990956,3.931851653,2.939157589,2.171668296,1.707286396,0.696923425,0.348461713,0.144337567,0.72749887,0.491481457,0.326573065,0.21716683,0.155207854,0.116153904,0.087115428,0.072168784,5.819990956,3.931851653,2.939157589,2.171668296,1.707286396,0.696923425,0.348461713,0.144337567,0.72749887,0.491481457,0.326573065,0.21716683,0.155207854,0.116153904,0.087115428,0.072168784,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.9767,36.866,28.3399353,42.00992493,56.67987059,7.084983824,28.3399353,0.132422925,0.016552866,-1.6174036,28.94593476,3.618241845,2.692343817,64,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,1,0,6,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,2.29,0,8.932222222,0,0,0,1.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.29,0,1.393518519,0,0,0,1.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.29,0,1.521666667,0,0,0,1.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.33333333,1.541666667,0.2,2.29,0.2,1.111111111,5.766833333,0.222222222,0.29,0.685185185,0.222222222,0.29,0.685185185,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.125,0.125,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,7.89328,0.98666,7.89328,0,0,3.93185,0.49148,3.93185,0,0,-0.01785,-0.00223,0.06815,0.00852,0.208333333,8,0,0,0,0,0,0,1,0.918295834,1.272055209,2.312907292,3.04248125,3.153107168,3.022055209,22.03910002,30.52932501,55.509775,73.01955001,75.67457204,72.52932501,0.200284263,0.277440701,0.504455007,0.663578219,0.687706207,0.659123212,3.666666667,3.312907292,2.272055209,1.54248125,1.431855332,1.562907292,0.200284263,0.277440701,0.504455007,0.663578219,0.687706207,0.659123212,6.73287657,10.97798907,16.03678815,16.77207105,17.2293066,15.8354706,31.59900002,26.53208126,21.08972448,20.41052656,19.44799209,21.55213073,6.125,3.111111111,1.8,3,0,3,2.34,1.1272,0,1.969259364,0.333333333,0,7.383136998,4.242640687,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,3.894,9,10,11,6,4,2,0,0,0,58,2.197224577,2.302585093,2.397895273,2.48490665,1.945910149,1.609437912,1.098612289,0,0,0,4.077537444,1,0.4,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,3,0.375,0,3,5,0.666666667,1,0.444444444,0.222222222,0.125,0.08,0,0,0,0,0,0.125,0.049382716,0.044444444,0.03125,0.04,0,0,0,0,0,0.29007716,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,0,134.567877,4,3.555348061,4.290459441,5.056245805,5.814130532,6.588926478,7.353081921,8.129469765,8.896040502,9.672374832,75.35607734,2.833213344,0,3.970291914,2.397895273,5.283203729,4.442651256,6.680854679,6.259581464,8.12474302,8.529319371,112.1252005,4.671883355,15.59010547,1.948763183,0,0,0,67,5,4.491,34,1.331436567,2.361972638,3.165652896,3.943421758,5.142612316,6.137942022,7.4569142,0,0,0,94.01800751,93.36179794,64.26725449,74.65076459,81.97005862,32.24280659,7.576702069,0,0,0,334.770918,402.6088497,352.3931561,398.7867445,505.0250124,386.9397135,231.7888152,0,0,0,9.725938808,16.89469797,22.16503274,27.41990316,35.84073351,42.17351277,50.0990096,0,0,0,2.47012952,3.270768803,3.200316594,3.665936772,4.777052743,4.297520496,3.315440283,0,0,0,188.3541604,358.8720753,516.1668496,658.1796565,850.6830486,1060.460576,1378.915065,0,0,0,2.494821346,3.752098019,4.370305691,5.319763673,7.354286824,7.782652891,7.4569142,0,0,0,0.509638069,0.687171677,0.686310181,0.788987414,1.031405456,0.951170135,0.763588014,0,0,0,336.1887675,139.9999529,8.653614775,52.92808041,-22.04097661,-2.878615351,283.2606871,162.0409295,11.53223013,0.863978955,0.359788978,0.022239116,0.136021045,-0.056643594,-0.007397817,130.8167135,54.47634038,3.367267305,20.59520782,-8.576515346,-1.120117732,0.071750613,0.156469216,0.872998791,1.441778533,389.116848,0,1,0,402.4237007,20.06050101,7.38291469,557.416278,23.60966493,8.229874559,652.7942547,25.54983864,8.674786092,1.615042933,1.615042933,688.1689553,637.2749632,114.2638666,1.079861904,6.022629688,5.577222111,4.545588214,4.466158665,8.815689176,0.973886249,4.462408855,4.441412524,2.465209864,15.34341864,10.49059757,7.474689727,9.018920009,17.00311868,4.758239052,3.87035923,5.589008986,1.851278374,4.303351157,1.089208272,1.375191484,0.008931927,0.033811293,4.60E-21,1.22E-61,6.24E-124,6.15E-208,1.16961470666E-313,0,0,0,0,0,0,0,0,0.374499053,4.441098819,0.766120239,5.349114402,0.72804976,1.868260915,0.553390636,0.834521502,0.261866085,1.176272704,1.234939164,0.093433362,0.28497845,0.018268677,0.028956736,6.31E-05,2.38E-04,3.24E-23,8.59E-64,4.39E-126,4.33E-210,8.23769204E-316,0,0,0,0,0,0,0,0,1.208928595,4.441120411,1.042735662,6.764280481,1.745376666,2.484324726,1.736267949,2.705343424,0.924697607,1.616232664,1.918440476,0.342422176,0.67347602,0.107166327,0.150442586,6.56E-04,0.002481558,3.38E-22,8.95E-63,4.58E-125,4.51E-209,8.584310207E-315,0,0,0,0,0,0,0,0,4.212149946,4.441378305,2.336356614,14.51051106,9.547871083,6.944563286,8.307821779,15.50756716,4.392772944,3.666528788,5.249842766,1.704811976,3.904614668,0.977761155,1.238540184,0.007958314,0.030125254,4.10E-21,1.09E-61,5.56E-124,5.48E-208,1.0421056464E-313,0,0,0,0,0,0,0,0,1.781738316,4.441147835,1.253468794,7.921288768,2.733361262,3.064104689,2.710132874,4.4140621,1.455417743,1.950900943,2.4485878,0.545954456,1.068359362,0.206703565,0.279359537,0.001424527,0.005390275,7.33E-22,1.94E-62,9.94E-125,9.80E-209,1.864626886E-314,0,0,0,0,0,0,0,0,5.389004952,4.44155627,2.970495092,18.67830142,14.37289084,9.649725787,11.87075724,23.11468168,6.213812437,4.669220088,6.927235656,2.43769149,5.953111562,1.553945712,1.942730392,0.013025772,0.049310594,6.71E-21,1.78E-61,9.09E-124,8.97E-208,1.7057731274E-313,0,0,0,0,0,0,0,0,2.972766162,4.31031944,1.635171322,10.27421475,5.252776752,4.313352886,4.980177525,8.653044657,2.613162818,3.043079569,3.827436407,1.00451472,2.164980679,0.511521193,0.660689846,0.003759079,0.014225935,1.94E-21,5.13E-62,2.62E-124,2.59E-208,4.9210962093E-314,0,0,0,0,0,0,0,0,6.371214618,1.237775652,0.768264571,0.760537281,0.147754327,0.517956011,0.361318013,0.429348092,8.377254841,13.73185197,28.16774442,0.640805921,1.308622116,5.418923789,0.736701306,0.282806567,0.841652762,0.114422478,0.374545881,0.128376632,0.058320369,6.438431662,5.732979431,13.30041117,0.762479143,0.561242881,5.79705776,0.935747749,0.475663788,0.804200937,0.129812268,0.428699727,0.206869095,0.164832625,7.208469297,8.62713552,18.41588287,0.706301405,0.800401447,6.34763043,1.225373885,0.756250726,0.762088614,0.147116865,0.514122655,0.354139247,0.41605171,8.329255042,13.50531058,27.71685057,0.643132921,1.284313612,5.965645104,1.024455006,0.561606655,0.789973087,0.135658738,0.454028306,0.247818511,0.229678506,7.551706765,10.03722173,21.02120722,0.68495963,0.931525324,6.445052843,1.276601267,0.805875287,0.755793682,0.149703532,0.530050203,0.384254855,0.472319919,8.527529397,14.45045285,29.60853281,0.633690523,1.386624977,6.369840912,1.22743943,0.758809276,0.762299258,0.146891607,0.517739716,0.355326386,0.418748051,8.356089618,13.58348069,27.87239189,0.643448886,1.291814152 +UMLS0196,L,n-Propylcyclopentane,CCCC1CCCC1,16270,,"Sandia, UML",[1],C8H16,PubChem,,3.1,0,2.4289,5.89955521,53.7109,30.028688,6,6,27,11,16,0,11,0,0,0,0,0,0,0,0,0,1603.162355,1780.618739,2452.585479,2502.034766,1856.490561,1133.218637,396.652201,62.653248,3.048192,5156.02583,6494.471781,9302.533147,10714.80211,9637.156847,6793.434416,3287.35499,894.1188875,93.25123329,190.4411,196.827788,343.997916,450.339512,549.002052,500.213876,290.581732,122.529024,20.155392,37.79170648,48.49460896,71.89114818,86.91895714,85.21137226,64.47043818,33.7277258,10.67875791,1.333838715,4353.420349,3844.69868,7272.910459,9596.076866,12501.4826,12037.80623,7104.311107,3201.337319,554.7529561,54.59027778,65.625,97.16666667,127.5833333,141.6666667,115.25,63.5,22,3,59.37638352,65.94884219,51.09553081,39.71483756,23.80116104,15.73914774,9.444100024,3.480736,1.016064,190.9639196,240.5359919,193.8027739,170.0762239,123.5532929,94.35325577,78.27035691,49.67327153,31.08374443,7.053374074,7.289918074,7.16662325,7.148246222,7.038487846,6.947414944,6.918612667,6.807168,6.718464,1.399692833,1.796096628,1.497732254,1.379665986,1.092453491,0.895422753,0.80304109,0.593264328,0.444612905,161.2377907,142.3962474,151.5189679,152.3186804,160.275418,167.1917532,169.1502645,177.8520733,184.917652,2.02186214,2.430555556,2.024305556,2.025132275,1.816239316,1.600694444,1.511904762,1.222222222,1,0.058127274,-0.008957846,-0.001978305,-0.007391862,-0.025195266,-7.46E-04,-0.001508043,0.012451587,0.004261996,789.1710216,-9.17E-13,166.4034856,-343.7676799,-401.0622932,29.89284173,-70.74639209,164.4106295,60.28389749,1467.497214,3.69E-13,309.4343872,-639.2506801,-745.7924602,55.58701566,-131.5559371,305.7285862,112.1004816,0.154593185,1.50E-15,0.0325973,-0.067341728,-0.07856535,0.005855802,-0.013858733,0.032206914,0.011809202,6.560395338,1.65E-14,1.383315684,-2.857747969,-3.334039298,0.248499823,-0.588116249,1.366749029,0.501141311,35.6361716,-1.87E-13,7.514192749,-15.52333233,-18.11055438,1.349854985,-3.194656797,7.424202416,2.722207553,5.472736626,-1.251286008,1.841420896,-0.249657064,-2.938471651,-0.256772977,-1.04092364,0.794410151,0.36491198,0.002152862,-3.32E-04,-4.12E-05,-1.17E-04,-3.23E-04,-1.04E-05,-3.59E-05,6.92E-04,0.001420665,29.22855636,-3.39E-14,3.466739284,-5.456629839,-5.141824272,0.415178357,-1.684437907,9.133923861,20.0946325,54.35174865,1.37E-14,6.446549733,-10.14683619,-9.561441797,0.772041884,-3.132284216,16.98492145,37.3668272,0.005725674,5.57E-17,6.79E-04,-0.001068916,-0.001007248,8.13E-05,-3.30E-04,0.001789273,0.003936401,0.242977605,6.11E-16,0.028819077,-0.045361079,-0.042744094,0.003451386,-0.014002768,0.075930502,0.167047104,1.319858207,-6.91E-15,0.156545682,-0.2464021,-0.232186595,0.018747986,-0.076063257,0.41245569,0.907402518,0.202693949,-0.046343926,0.038362935,-0.003962811,-0.037672713,-0.003566291,-0.024783896,0.044133897,0.121637327,-0.154107454,-0.019144135,-0.054500073,-0.150040379,-0.004812061,-0.01667816,0.321318699,0.659896117,-1.16E-15,0.118607955,-0.186688312,-0.175917832,0.014204545,-0.05762987,0.3125,0.6875,2.52E-16,0.118607955,-0.186688312,-0.175917832,0.014204545,-0.05762987,0.3125,0.6875,9.73E-15,0.118607955,-0.186688312,-0.175917832,0.014204545,-0.05762987,0.3125,0.6875,2.51E-15,0.118607955,-0.186688312,-0.175917832,0.014204545,-0.05762987,0.3125,0.6875,-5.23E-15,0.118607955,-0.186688312,-0.175917832,0.014204545,-0.05762987,0.3125,0.6875,-0.22863991,0.189265321,-0.01955071,-0.185860079,-0.017594464,-0.122272501,0.217736629,0.600103393,1.273672314,0.892891929,1.033258176,1.057954408,0.922178731,1.091966055,0.714954206,0.335902452,1.181818182,0.955610795,1.234577922,1.125,0.858664773,0.902191558,0.443181818,0,1.181818182,0.955610795,1.234577922,1.125,0.858664773,0.902191558,0.443181818,0,1.181818182,0.955610795,1.234577922,1.125,0.858664773,0.902191558,0.443181818,0,1.181818182,0.955610795,1.234577922,1.125,0.858664773,0.902191558,0.443181818,0,1.181818182,0.955610795,1.234577922,1.125,0.858664773,0.902191558,0.443181818,0,1.43697716,0.732349727,0.984256039,1.201875176,0.950576887,1.032172734,0.527869161,0,47.46025007,23.73012503,34.64935777,47.46025007,4.314568188,23.73012503,-7.11E-15,0.185599102,0.016872646,-1.852582929,49.51856236,4.501687487,4.292582356,47.46025007,23.73012503,34.64935777,47.46025007,4.314568188,23.73012503,-7.11E-15,0.185599102,0.016872646,-1.852582929,49.51856236,4.501687487,4.292582356,47.46025007,23.73012503,34.64935777,47.46025007,4.314568188,23.73012503,-7.11E-15,0.185599102,0.016872646,-1.852582929,49.51856236,4.501687487,4.292582356,47.46025007,23.73012503,34.64935777,47.46025007,4.314568188,23.73012503,-7.11E-15,0.185599102,0.016872646,-1.852582929,49.51856236,4.501687487,4.292582356,47.46025007,23.73012503,34.64935777,47.46025007,4.314568188,23.73012503,-7.11E-15,0.185599102,0.016872646,-1.852582929,49.51856236,4.501687487,4.292582356,47.46025007,23.73012503,34.64935777,47.46025007,4.314568188,23.73012503,-7.11E-15,0.185599102,0.016872646,-1.852582929,49.51856236,4.501687487,4.292582356,64.10361848,31.66465033,47.51056634,63.98539075,5.816853705,31.66465033,-0.26010101,0.365237409,0.033203401,-1.107928471,46.05612696,4.186920633,4.212846884,0,11.85,12.15012665,-0.209780503,0.090376681,5.916040257,10.16944288,11,27,24,21,5,3,0,0,0,6,17.491312,3.823355146,3.375554321,2.78399923,2.619181914,2.468681621,2.333552793,1.718396463,0.941428501,2.018324896,1.758401211,1.472226899,1.249629723,1.082250302,0.967816307,0.812829382,0.310513972,3.834711867,3.399775442,2.831867427,2.645815032,2.500839706,2.405454588,1.807422744,1.053336623,1.985196063,1.700549596,1.377852704,1.134540686,1.007167592,0.889438122,0.681656021,0.150156259,3.88703864,3.509853915,3.043396489,2.771820215,2.704236987,2.642714838,2.173160225,1.517793787,1.898031938,1.532432104,1.085148025,0.798620231,0.76031856,0.671502886,0.24078774,0.396843083,3.843194545,3.417825289,2.867324407,2.665925019,2.524480089,2.457539916,1.871732255,1.134811365,1.965116389,1.663771552,1.316352478,1.058262671,0.960278991,0.840798682,0.593410059,0.041902902,3.9142293,3.565219061,3.144700318,2.838982085,2.838078588,2.713365918,2.335011211,1.721464227,1.873368949,1.481460071,0.990042072,0.738564276,0.631337262,0.606472227,0.084719847,0.594311107,3.854780281,3.392387234,2.914495913,2.753765251,2.576916759,2.561037979,1.905191903,1.252975057,1.983237324,1.638459183,1.246890245,0.944711449,0.861393398,0.776110823,0.526344375,0.087306151,0,0,0,5,1,3,1,0,1,0,0,0,0.102062073,0.051031036,0,0,0,0.032075015,0.016037507,1.194814383,0.204124145,0.348461713,0.102062073,1.040440115,0.176776695,0.201184464,0.058925565,2.342261593,2.638227255,2.54129406,1.725847483,1.594268428,1.21860637,8.319990956,5.165831887,4.677068452,3.621574357,2.172738226,1.513420006,0.637136847,0.378355001,0.756362814,0.469621081,0.311804563,0.213033786,0.135796139,0.09458875,0.063713685,0.047294375,7.593858127,4.221343774,3.603462271,2.439146959,1.093461461,0.626348247,0.250511218,0.126114201,0.690350739,0.383758525,0.240230818,0.143479233,0.068341341,0.039146765,0.025051122,0.015764275,15.33462243,26.10269483,24.80392157,25.08,17.38843593,204.4541246,0.567948979,0.966766475,0.918663762,0.928888889,0.644016145,7.572374983,3.3742,49.759,45.93735134,66.50730663,91.87470267,8.352245698,45.93735134,0.321355996,0.029214181,-1.248726322,42.4755007,3.861409155,4.123820201,99,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,4,0,0,5,0,0,0,0,0,0,0,0,3,0,1,0,0,5,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.10125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.939620181,0,1.112532596,0,0,1.939620181,0,0,0,0,0,0,0,0,6.789351852,0,1.191481481,0,0,10.66837963,0,0,0,0,1.43287037,0,0.334583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.43287037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.365347222,0,0.25461593,0,0,0.365347222,0,0,0,0,0,0,0,0,2.229166667,0,1.191481481,0,0,2.064722222,0,0,0,0,1.43287037,0,0.334583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.197916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.414064626,0,0.285972222,0,0,0.414064626,0,0,0,0,0,0,0,0,2.280092593,0,1.191481481,0,0,2.197916667,0,0,0,0,1.43287037,0,0.334583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.41666667,1.856060606,0.414064626,2.280092593,0.088541667,0.334583333,7.065686574,0.915416667,0.280092593,2.915462963,0.915416667,0.280092593,2.915462963,5.5,0.5,0,0,0.46296,0.7,0.43333,0.43333,0.7,0.02963,0.02963,0,0,0.71429,0,0,0.27273,0.09091,0.09091,11.5,1.04545,5.5,0.5,6,0.54545,0.5,0.04545,0,0,8.97362,0.81578,14.18916,5.21554,0.47414,3.22494,0.29318,5.16583,1.94089,0.17644,0.24817,0.02256,0.33417,0.03038,0.222222222,11,0,0,0,0,0,0,0.454545455,0.975119065,2.309409122,2.869929984,3.531941206,3.70804815,3.60601528,26.32821475,62.3540463,77.48810957,95.36241255,100.1173001,97.36241255,0.20507721,0.485691643,0.603574739,0.742802265,0.779839302,0.758380777,3.779768437,2.44547838,1.884957518,1.222946297,1.046839352,1.148872223,0.198724436,0.470646141,0.584877516,0.719792124,0.755681847,0.734888054,6.784181073,16.95897493,20.62190039,23.22489021,23.4023752,22.17798075,41.99082118,31.0845179,24.80567955,20.19092316,19.66260233,21.60813288,9.090909091,3.6,2.214532872,5,6,4,2.67,1.4209,1.144714243,5.206595347,1.310370697,2.381101578,6.945629182,3.532775529,2.620741394,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.184,0.171,0.474,0.643,5.004,15,17,16,16,10,8,2,0,0,106,2.708050201,3.198673118,3.630985476,4.000491653,4.399835855,3.976170825,4.037553728,2.784239339,0,0,5.839187112,3.231132075,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.181818182,5,0.454545455,0,3,6,1,3,1.777777778,0.6875,0.248888889,0.215277778,0.04,0,0,0,0,0.272727273,0.118518519,0.049107143,0.027654321,0.043055556,0.04,0,0,0,0,0.551062811,28.09726362,41.0630079,56.19452724,5.108593385,28.09726362,0.018854296,0.001714027,-4.368115921,159.5976451,14.50887683,5.579921523,0,167.6464548,4.459431619,3.970291914,4.762173935,5.609471795,6.428105273,7.278628942,8.103796713,8.954286157,9.781828264,10.63183294,87.52041594,3.135494216,0,4.418840608,0,5.932245187,0,7.527793988,0,9.159362817,9.380251909,148.1252005,5.486118537,21.29089635,1.935536032,0,0,0,150,14,4.423,52,1.237974213,2.163249352,2.996076744,3.65194967,4.241103792,5.500929407,6.600510226,7.865256659,0,0,91.72403858,121.8928161,125.146011,98.95865252,79.79546925,56.21652387,23.86430541,7.991604142,0,0,321.3314287,449.823157,527.7134696,480.9431083,449.2634277,448.4155109,334.5791922,244.4816279,0,0,9.056988609,15.56496726,21.4601157,25.7528409,29.62375558,38.12214627,44.96280145,52.84244372,0,0,2.351319141,3.420916811,4.246098859,4.156889351,4.13335984,4.543741144,3.969505921,3.496994611,0,0,174.2745411,323.4419629,453.2022489,582.0964842,696.935799,925.5909477,1171.363969,1454.424794,0,0,3.077366593,4.546007195,6.181416598,6.786787719,7.220916251,8.489665135,8.147505759,7.865256659,0,0,0.484370495,0.710631071,0.890573703,0.88375344,0.888545494,0.991489678,0.888758833,0.805402282,0,0,288.2060448,165.8499511,10.89610034,81.01172616,-46.6186989,-4.81509226,207.1943187,212.46865,15.7111926,0.780585517,0.449192764,0.029511311,0.219414483,-0.126263421,-0.013041334,106.4107935,61.23474928,4.023033881,29.91096896,-17.21245209,-1.777817631,0.107821063,0.112070617,1.342880411,0.803579109,369.217771,0,1,0,788.965793,28.0885349,9.240299714,945.0199318,30.74117649,9.813267923,1466.21399,38.29117379,11.36054378,1.838256537,1.838256537,753.5915064,682.5722904,214.249477,1.104046439,3.517355174,3.185876111,4.509961412,4.443439901,7.963231373,0.792132121,4.870821309,5.850007349,5.0609346,24.16933425,4.942530351,12.40455725,9.697314072,9.871809738,7.716784062,6.31905985,6.517497839,4.113746098,1.732841839,1.271591476,1.718141754,4.99E-13,2.93E-47,3.44E-103,8.03E-181,3.70E-280,0,0,0,0,0,0,0,0,0,0,0.408883799,5.667968554,0.362378656,9.426094575,2.150774485,1.840209314,1.515635919,1.725259534,1.405626751,0.447878333,1.267375559,0.335844884,0.082700053,0.068488127,0.012101013,3.52E-15,2.06E-49,2.42E-105,5.65E-183,2.61E-282,0,0,0,0,0,0,0,0,0,0,1.319660212,5.680133241,1.210245826,11.43439424,2.448869426,3.36810934,2.74167513,3.068671354,2.108627131,1.459109013,2.221686638,0.751963763,0.308297376,0.246277366,0.126101884,3.67E-14,2.15E-48,2.52E-104,5.89E-182,2.72E-281,0,0,0,0,0,0,0,0,0,0,4.597664636,5.830021258,4.733950571,22.91260417,4.675480682,11.53546991,9.039359542,9.260064894,7.123380522,5.893404233,6.154574287,3.756867379,1.592471217,1.173956564,1.53083337,4.45E-13,2.61E-47,3.06E-103,7.15E-181,3.30E-280,0,0,0,0,0,0,0,0,0,0,1.944879714,5.695904948,1.825300095,13.11027924,2.734194007,4.603582025,3.715150073,4.085739527,2.764985132,2.208871511,2.91163516,1.143032471,0.496189888,0.3884523,0.273910142,7.96E-14,4.66E-48,5.48E-104,1.28E-181,5.91E-281,0,0,0,0,0,0,0,0,0,0,5.882197583,5.934046053,6.316278943,29.2245616,6.04045525,15.87485312,12.31177388,12.26514999,10.14896753,7.970265763,7.908377368,5.577714813,2.297250184,1.660319128,2.505748275,7.28E-13,4.27E-47,5.01E-103,1.17E-180,5.40E-280,0,0,0,0,0,0,0,0,0,0,2.746897132,4.325481954,2.455501136,14.15048186,3.111418971,6.265005426,5.230634409,5.158019058,3.671186171,3.161802138,3.907396874,1.753263241,0.76918057,0.593894646,0.498740557,1.45E-13,8.49E-48,9.98E-104,2.33E-181,1.08E-280,0,0,0,0,0,0,0,0,0,0,5.013839291,1.691990553,0.926413718,0.656928628,0.221689801,0.484990578,0.502048021,0.335601455,7.632243562,14.69574147,30.18709419,0.485392942,1.322640054,4.306874114,0.963078063,0.484003918,0.7485066,0.167376679,0.358198882,0.16289842,0.090879475,5.753956095,6.69853348,14.46006812,0.6227599,0.611976776,4.560854722,1.225042323,0.643117075,0.709417437,0.190549017,0.401537723,0.263472519,0.161043055,6.429014119,9.308249245,19.33051285,0.564126156,0.826053297,4.993361807,1.670891029,0.913618443,0.658939908,0.220496096,0.481047588,0.489635905,0.326345864,7.57787128,14.43194775,29.63246976,0.488409863,1.297029357,4.684655257,1.352699052,0.720597697,0.693206352,0.200164051,0.423561474,0.321166296,0.202466104,6.757952007,10.68743234,22.01176059,0.539809528,0.947193874,5.07911211,1.759239912,0.967192689,0.650705658,0.225383362,0.497666834,0.542635266,0.365965227,7.805544711,15.54938082,31.99715659,0.476058488,1.406267328,5.005875215,1.673315262,0.913355213,0.659314467,0.220389225,0.483476613,0.491151411,0.326224477,7.59254569,14.47688084,29.72006189,0.488971701,1.300852501 +UMLS0197,L,tert-amylbenzene,CCC(C)(C)C1=CC=CC=C1,16295,,UML,[1],C11H16,PubChem,,3.9,0,0.202,0.040804,31.7974,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1637.551784,758.929586,162.729504,12.192768,0,0,3885.475125,5223.921076,7758.63172,8463.052758,6034.399303,2421.799685,373.0049332,0,0,167.819552,174.20624,341.883496,485.318816,499.74356,346.633344,80.621568,0,0,29.42500648,40.12790896,63.51436973,74.85198059,60.78223392,29.3645722,5.335354858,0,0,3973.037281,3464.315612,7404.551417,11086.11766,12053.2006,9112.84921,2219.011824,0,0,36.55555556,44.52777778,74.83333333,102.9166667,100.3333333,58,12,0,0,48.76541633,56.15943233,37.32917321,23.73263455,10.54068869,3.190774588,1.016064,0,0,161.8947969,217.6633782,161.6381608,122.6529385,83.81110144,47.48626834,31.08374443,0,0,6.992481333,7.258593333,7.122572833,7.033606029,6.940882778,6.796732235,6.718464,0,0,1.226041937,1.671996207,1.323216036,1.084811313,0.844197693,0.575775925,0.444612905,0,0,165.54322,144.3464838,154.2614879,160.6683719,167.4055639,178.6833178,184.917652,0,0,1.523148148,1.855324074,1.559027778,1.491545894,1.393518519,1.137254902,1,0,0,0.032203389,-0.00310484,-0.004656838,-0.008608007,-0.018786557,0.011712848,0.0073417,0,0,645.6853813,6.61E-13,-80.71067267,-282.4873543,-403.5533633,282.4873543,161.4213453,0,0,1200.679538,0,-150.0849423,-525.297298,-750.4247115,525.297298,300.1698846,0,0,0.126485333,2.94E-15,-0.015810667,-0.055337333,-0.079053333,0.055337333,0.031621333,0,0,5.367596186,1.23E-14,-0.670949523,-2.348323331,-3.354747616,2.348323331,1.341899046,0,0,29.15686767,-1.14E-13,-3.644608459,-12.75612961,-18.22304229,12.75612961,7.289216918,0,0,2.314814815,-0.861111111,-0.018518519,0.293981481,-1.592592593,0.56712963,0.453703704,0,0,0.001341808,-1.29E-04,-9.70E-05,-1.25E-04,-2.61E-04,2.30E-04,6.12E-04,0,0,26.90355756,2.75E-14,-1.681472347,-4.094019628,-5.604907824,5.538967732,13.45177878,0,0,50.0283141,0,-3.126769631,-7.613004319,-10.42256544,10.29994702,25.01415705,0,0,0.005270222,1.22E-16,-3.29E-04,-8.02E-04,-0.001097963,0.001085046,0.002635111,0,0,0.223649841,5.11E-16,-0.013978115,-0.034033671,-0.046593717,0.046045556,0.111824921,0,0,1.214869486,-4.74E-15,-0.075929343,-0.184871444,-0.25309781,0.250120188,0.607434743,0,0,0.096450617,-0.03587963,-3.86E-04,0.004260601,-0.022119342,0.011120189,0.037808642,0,0,-0.096413462,-0.072303542,-0.092974359,-0.194457342,0.171159879,0.455958218,0,0,1.02E-15,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,0,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,2.32E-14,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,2.29E-15,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,-3.90E-15,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,-0.372,-0.004,0.044173913,-0.229333333,0.115294118,0.392,0,0,1.53434748,1.171936794,1.124488657,1.134752217,0.462469473,0.00373952,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.8975,0.8625,0.944,1.341666667,0.535764706,0,0,0,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,36.07402827,17.779571,24.920579,35.98375049,4.497968812,17.77957107,-0.180555556,0.008520244,0.001065031,-3.812248206,54.49313446,6.811641808,3.198459776,0,11.89,12.11011416,-0.161991078,0.059143413,6.149298971,8.44548837,8,24,24,24,8,0,0,0,0,0,17.491312,3.662568552,2.973800316,2.902915108,2.396031084,1.985393484,1.294917089,1.278176966,0.792390288,2.011212266,1.54022329,1.504387675,1.214685823,0.944510801,0.575155562,0.537874807,0.286758099,3.685758973,3.012007932,2.943626107,2.45799801,2.0604522,1.398197764,1.3877502,0.927978128,1.959396753,1.458846327,1.418464269,1.108835618,0.824247442,0.424099041,0.391206314,0.121362333,3.788142724,3.181205256,3.123867309,2.720080337,2.373479569,1.830041584,1.818711967,1.453306025,1.808680643,1.215027091,1.15985455,0.770046168,0.432297313,0.089676213,0.104383501,0.454358695,3.702862323,3.040251952,2.973724661,2.503161463,2.114921857,1.472638375,1.466485782,1.023904459,1.926561094,1.406557435,1.363143968,1.039081412,0.744462569,0.322298474,0.292586285,0.00904167,3.838313253,3.263640204,3.211539392,2.840509364,2.514780484,2.02143336,2.002311217,1.672222781,1.762127238,1.138255146,1.078139684,0.655480765,0.297024546,0.275653238,0.282281325,0.669501345,3.697560489,3.111926141,3.078965348,2.635037069,2.24090125,1.596068139,1.585467024,1.175105639,1.916863436,1.31336699,1.253825865,0.870102584,0.587742437,0.156504632,0.140887544,0.170893966,0,0,0,0,0,2,4,2,0,0,0,0,0.083333333,0.166666667,0,0,0,0.083333333,0.166666667,0.471404521,0,0.166666667,0,0.471404521,0,0.166666667,0,1.138071187,1.040440115,1.138071187,1.138071187,1.040440115,1.138071187,5.983127663,3.804530453,3.239024819,2.540336414,1.501661279,1.024377395,0.333333333,0.083333333,0.747890958,0.475566307,0.323902482,0.230939674,0.150166128,0.102437739,0.083333333,0.083333333,5.983127663,3.804530453,3.239024819,2.540336414,1.501661279,1.024377395,0.333333333,0.083333333,0.747890958,0.475566307,0.323902482,0.230939674,0.150166128,0.102437739,0.083333333,0.083333333,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,31.15378298,42.72358734,62.30756596,7.788445745,31.15378298,3.33E-16,4.16E-17,-28.51055062,41.24325189,5.155406487,2.975590007,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.757592593,0,5.90212963,0,0,0,2.006944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.378796296,0,1.47337963,0,0,0,1.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.378796296,0,1.477685185,0,0,0,1.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.378796296,0.2,1.003472222,5.75305787,0.329861111,0.378796296,1.515185185,0.329861111,0.378796296,1.515185185,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.47399,1.05925,8.47399,0,0,3.80452,0.47556,3.80452,0,0,0.10948,0.01369,0.19548,0.02444,0.25,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.522055209,2.688721876,2.284159128,2.284159128,22.03910002,34.03910002,60.52932501,64.52932501,54.81981907,54.81981907,0.200284263,0.309336409,0.550071066,0.586421781,0.498184909,0.498184909,3.666666667,3.166666667,2.062907292,1.896240625,2.300803373,2.300803373,0.200284263,0.309336409,0.550071066,0.586421781,0.498184909,0.498184909,6.73287657,12.73287657,15.67730206,14.01324374,13.60551527,13.60551527,31.59900002,23.74937501,22.16391042,24.55388542,25.09322045,25.09322045,6.125,2.52,1.487603306,0,0,0,2.34,1.1272,0.333333333,2.746356192,2.828427125,0,3.965406457,4.298279727,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,11,10,10,4,1,0,0,0,62,2.197224577,2.397895273,2.48490665,2.397895273,2.397895273,1.609437912,0.693147181,0,0,0,4.143134726,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,1.5,1.111111111,0.375,0.222222222,0,0,0,0,0,0,0.1875,0.111111111,0.046875,0.111111111,0,0,0,0,0,0,0.456597222,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,0,134.567877,4,3.610917913,4.369447852,5.153291594,5.932245187,6.717804695,7.501634458,8.287276756,9.072341874,9.857914707,76.50287504,2.833213344,0,4.043051268,0,5.476463552,0,7.00033446,0,8.555836815,8.796490207,112.1252005,4.671883355,15.53340973,1.941676217,0,0,0,60,8,4.43,36,1.224166127,2.094734878,2.813854178,3.496397331,4.289127608,5.173126425,0,0,0,0,78.54273178,86.40971975,73.29602737,40.50923001,14.36418292,5.256227528,0,0,0,0,289.3400736,361.0360131,364.9817505,309.7850726,208.7925072,160.8001397,0,0,0,0,8.917064339,14.96667722,19.84155555,24.3314836,29.17647278,34.75546366,0,0,0,0,2.17096299,2.90569308,3.177470147,3.073096038,2.510501321,2.300038767,0,0,0,0,174.752874,319.833565,448.426768,580.3820332,764.4503425,956.6023922,0,0,0,0,2.318653618,3.343180647,4.286947458,5.003882932,4.926127076,5.173126425,0,0,0,0,0.449298446,0.609701421,0.676241056,0.66790276,0.563347314,0.529728146,0,0,0,0,314.0667193,129.0714283,7.965781271,85.0686022,-34.96048868,-4.483545274,228.9981171,164.0319169,12.44932655,0.786867767,0.323377615,0.019957595,0.213132233,-0.087590566,-0.011233146,125.355121,51.51696601,3.179424668,33.95388389,-13.95396589,-1.789541284,0.072690831,0.151075692,0.768657499,1.168777185,399.1353215,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,951.9657456,30.85394214,9.83725148,1.172916589,1.045099943,357.2182754,212.6358272,199.117892,1.679953375,1.794003902,1.067889103,3.722902662,3.779648656,5.906129471,0.562613356,4.463031433,5.921819945,9.828480578,9.40995671,14.40496365,11.86691634,6.11316608,6.830983842,8.093884921,0.005426297,0.819679105,9.03E-16,1.92E-52,7.93E-111,6.33E-191,9.77E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375119025,5.573543104,0.715493259,4.033120893,0.872322458,2.242173947,1.516158473,0.203109987,0.213327658,3.82E-05,0.005773067,6.36E-18,1.35E-54,5.59E-113,4.46E-193,6.88E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.209548741,5.596816391,2.333232816,4.588566405,3.01815594,3.856243699,2.033398536,0.899577467,0.995666205,3.98E-04,0.060159809,6.62E-17,1.41E-53,5.82E-112,4.64E-192,7.17E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212772238,5.883582459,9.184831473,8.889020264,13.35841942,11.15368517,5.682766792,6.193009485,7.319142549,0.004834733,0.730319325,8.04E-16,1.71E-52,7.07E-111,5.64E-191,8.70E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.782358688,5.626990761,3.515738467,5.130817497,4.674245195,5.068336157,2.513503068,1.572586098,1.778048176,8.65E-04,0.130675144,1.44E-16,3.07E-53,1.26E-111,1.01E-191,1.56E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389628732,6.082603247,12.3089959,11.55649079,18.52746575,14.64849589,7.87588945,9.456784858,11.29429225,0.007913744,1.19542494,1.32E-15,2.81E-52,1.16E-110,9.23E-191,1.42E-292,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.967194044,5.276788689,5.726049812,6.223346311,7.542145705,8.165341041,4.147882013,3.45052873,3.978315626,0.002164507,0.32696341,3.60E-16,7.67E-53,3.16E-111,2.52E-191,3.90E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.277422687,2.223380044,0.704911056,0.43748519,0.427103781,0.522162411,0.578888149,0.405305054,5.205713787,8.236241762,17.01132637,0.296883458,1.506355614,1.659840868,1.532542713,0.243109024,0.48314494,0.446091111,0.277375432,0.276818133,0.048852061,3.435492605,3.319874283,7.373782038,0.393854076,0.603045627,1.905123919,1.80667067,0.42677241,0.460334198,0.436544985,0.365408761,0.383537446,0.149758249,4.138566999,5.026023031,10.63351144,0.345318774,0.898704455,2.26213303,2.206253873,0.693501196,0.438237518,0.427412185,0.515176315,0.570072526,0.392418028,5.161888099,8.089671418,16.71271286,0.298474556,1.477666869,2.014456778,1.928974381,0.508525036,0.452488005,0.433286919,0.408551069,0.436729387,0.212125698,4.451956195,5.891168988,12.31916983,0.328662386,1.057406154,2.325290586,2.277003796,0.740625936,0.43520967,0.426172142,0.544336911,0.60692576,0.446962433,5.342920318,8.703274077,17.9675832,0.292072717,1.598225104,2.268446772,2.214869336,0.69558958,0.438016621,0.427671302,0.518054112,0.574349497,0.39443048,5.178905688,8.142861166,16.81662676,0.298531884,1.486834089 +UMLS0198,L,"cis-1,2-dimethylcyclohexane",C[C@@H]1CCCC[C@@H]1C,16628,Sandia values from independent api report ,Sandia,,C8H16,PubChem,,2.3,0,0.5524,0.30514576,33.7512,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1516.485775,813.449451,220.131072,21.337344,0,0,3885.475125,5223.921076,7758.63172,8237.925345,5757.609485,2643.963217,652.758633,0,0,167.819552,174.20624,341.883496,485.2951,497.372268,288.562176,141.087744,0,0,29.42500648,40.12790896,63.51436973,73.84555631,57.77506978,29.37664449,9.336871002,0,0,3973.037281,3464.315612,7404.551417,11080.65075,12249.43814,7257.819716,3883.270693,0,0,36.55555556,44.5,75.19444444,102.5833333,94.33333333,55,21,0,0,48.76541633,56.15943233,37.32917321,21.97805471,11.29790904,5.241216,1.016064,0,0,161.8947969,217.6633782,161.6381608,119.3902224,79.96679841,62.95150517,31.08374443,0,0,6.992481333,7.258593333,7.122572833,7.033262319,6.907948167,6.870528,6.718464,0,0,1.226041937,1.671996207,1.323216036,1.070225454,0.802431525,0.699443916,0.444612905,0,0,165.54322,144.3464838,154.2614879,160.5891412,170.1310852,172.8052313,184.917652,0,0,1.523148148,1.854166667,1.566550926,1.486714976,1.310185185,1.30952381,1,0,0,0.032199942,-0.002797727,-0.003697588,-0.018142177,0.001119485,-0.004814924,0.012232959,0,0,645.6853813,6.61E-13,-80.71067267,-403.5533633,-40.35533633,-80.71067267,282.4873543,0,0,1200.679538,0,-150.0849423,-750.4247115,-75.04247115,-150.0849423,525.297298,0,0,0.126485333,2.94E-15,-0.015810667,-0.079053333,-0.007905333,-0.015810667,0.055337333,0,0,5.367596186,1.23E-14,-0.670949523,-3.354747616,-0.335474762,-0.670949523,2.348323331,0,0,29.15686767,-1.14E-13,-3.644608459,-18.22304229,-1.822304229,-3.644608459,12.75612961,0,0,2.314814815,-0.888888889,0.342592593,-1.233796296,0.768518519,-0.939814815,0.793981481,0,0,0.001341664,-1.17E-04,-7.70E-05,-2.63E-04,1.55E-05,-1.15E-04,5.83E-04,0,0,26.90355756,2.75E-14,-1.681472347,-5.848599469,-0.560490782,-1.921682683,13.45177878,0,0,50.0283141,0,-3.126769631,-10.87572046,-1.042256544,-3.573451007,25.01415705,0,0,0.005270222,1.22E-16,-3.29E-04,-0.0011457,-1.10E-04,-3.76E-04,0.002635111,0,0,0.223649841,5.11E-16,-0.013978115,-0.048619531,-0.004659372,-0.015974989,0.111824921,0,0,1.214869486,-4.74E-15,-0.075929343,-0.264102062,-0.025309781,-0.086776392,0.607434743,0,0,0.096450617,-0.037037037,0.007137346,-0.017881106,0.010673868,-0.022376543,0.037808642,0,0,-0.086886076,-0.057416064,-0.195973098,0.011588896,-0.085446892,0.434178552,0,0,1.02E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,0,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,2.32E-14,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,2.29E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,-3.90E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,-0.384,0.074,-0.185391304,0.110666667,-0.232,0.392,0,0,1.52427482,1.164805064,1.242354694,0.820810083,0.919861694,0.002465251,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.909,0.78775,1.196,0.732166667,1.360285714,0,0,0,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,35.83226547,17.82585496,25.82505281,35.72762192,4.46595274,17.82585502,-0.180555556,0.003886333,4.86E-04,-4.440231442,56.95949686,7.119937107,3.233872347,0,11.89,12.11011416,-0.163184458,0.057757171,5.99173565,8.131494617,8,24,24,24,8,0,0,0,0,0,17.491312,3.657350533,3.042364541,2.853663763,2.228199052,2.17548746,1.377970367,1.099508061,0.848898167,2.009882053,1.585950347,1.461105401,1.122580275,1.066605404,0.622488404,0.413035098,0.330410394,3.680932934,3.078435564,2.895085076,2.297520321,2.243749091,1.481273271,1.209688389,0.983826043,1.957719315,1.506815679,1.37483188,1.009371871,0.952794097,0.47545632,0.259521562,0.166688749,3.784792767,3.239284907,3.077882533,2.587690342,2.531187307,1.901999654,1.656579633,1.505179962,1.805580128,1.271648566,1.11426999,0.642452217,0.585704835,0.021015099,0.262056834,0.403334114,3.698311237,3.105160529,2.925676806,2.347875851,2.293440723,1.555731248,1.289020676,1.079174122,1.924629286,1.45612622,1.31921624,0.934416605,0.877571657,0.376614638,0.156092313,0.055506268,3.83554735,3.318282267,3.166469981,2.719383743,2.662420938,2.08581738,1.850629028,1.722040714,1.758439799,1.19828528,1.031595087,0.516627122,0.460560939,0.199076829,0.450448455,0.616550127,3.693337584,3.202528088,2.992569805,2.501366942,2.414575883,1.676969391,1.403180493,1.232251244,1.913934192,1.349624362,1.230310518,0.753942722,0.722583699,0.2174035,7.08E-04,0.124359124,0,0,0,0,0,2,4,2,0,0,0,0,0.083333333,0.166666667,0,0,0,0.083333333,0.166666667,0.577350269,0,0,0,0.577350269,0,0,0,0.741581624,1.093412989,1.020220057,0.741581624,1.093412989,1.020220057,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,30.91733718,41.28122386,61.83467437,7.729334296,30.91733718,1.11E-16,1.39E-17,-29.38944046,4000010.293,500001.2866,12.16144599,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.741388889,0,5.899814815,0,0,0,2.025462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.472222222,0,0,0,1.012731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.476527778,0,0,0,1.012731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.370694444,0.2,1.012731481,5.7528125,0.320601852,0.370694444,1.482777778,0.320601852,0.370694444,1.482777778,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.42549,1.05319,8.42549,0,0,3.78768,0.47346,3.78768,0,0,0.12632,0.01579,0.21232,0.02654,0.25,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.605388542,3.105388542,3.105388542,3.105388542,22.03910002,34.03910002,62.52932501,74.52932501,74.52932501,74.52932501,0.200284263,0.309336409,0.568246423,0.677298569,0.677298569,0.677298569,3.666666667,3.166666667,1.979573959,1.479573959,1.479573959,1.479573959,0.200284263,0.309336409,0.568246423,0.677298569,0.677298569,0.677298569,6.73287657,12.73287657,16.67730206,17.18121457,17.18121457,17.18121457,31.59900002,23.74937501,20.87142917,19.56315834,19.56315834,19.56315834,6.125,2.52,1.8,0,0,0,2.34,1.1272,0.25,3.039342743,2.309401077,0,3.532775529,5.111544834,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,10,11,10,5,0,0,0,0,62,2.197224577,2.397895273,2.397895273,2.48490665,2.397895273,1.791759469,0,0,0,0,4.143134726,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,2,0.666666667,0.5,0.222222222,0,0,0,0,0,0,0.25,0.066666667,0.071428571,0.074074074,0,0,0,0,0,0,0.462169312,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,0,134.567877,4,3.610917913,4.343805422,5.141663557,5.888877958,6.690842277,7.44132039,8.24407127,8.995288991,9.798182591,76.15497037,2.833213344,0,4.043051268,0,5.451038454,0,6.947937069,0,8.479906607,8.727292029,112.1252005,4.671883355,15.53295821,1.941619777,0,0,0,61,7,4.43,36,1.224166127,2.094794846,2.815360989,3.489894013,4.439762854,5.234822833,0,0,0,0,78.54273178,86.43663066,67.8113012,45.08600372,24.51685715,5.318915027,0,0,0,0,289.3400736,361.1040737,354.6330967,300.4382172,288.8958816,162.7178951,0,0,0,0,8.917064339,14.96718785,19.8493851,24.17740647,30.5483984,35.16996875,0,0,0,0,2.17096299,2.906091803,3.130761575,2.946641408,3.180581352,2.327469786,0,0,0,0,174.752874,319.837531,448.5568451,588.4393715,763.6391302,968.0111471,0,0,0,0,2.316970341,3.363889538,4.261770818,4.721366424,5.924555878,5.234822833,0,0,0,0,0.449298446,0.609779712,0.667645828,0.640414087,0.702831927,0.536045858,0,0,0,0,319.7742077,131.5526727,8.141823588,80.41420178,-33.08178994,-4.13130653,239.3600059,164.6344627,12.27313012,0.799059143,0.328726844,0.020344976,0.200940857,-0.082665537,-0.010323404,127.9699316,52.64585487,3.258263432,32.18083151,-13.2389489,-1.653300989,0.072048215,0.151462109,1.219298384,1.257505672,400.1884095,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,944.3601888,30.73044401,9.810983759,1.450520005,1.450520005,381.2891891,275.4956943,155.7912984,1.384011427,2.447435723,1.768363812,3.772133311,3.780722771,6.119384403,0.618575276,4.463030408,6.04063106,10.54903683,10.27695489,18.11070208,7.982806813,8.977707478,8.889325298,6.051727121,1.418965368,2.063211621,5.11E-07,2.09E-34,1.66E-83,2.53E-154,7.43E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375119018,5.574379929,0.709898736,4.143463853,0.980576918,1.563715784,1.875205062,0.452500548,0.215868777,0.048916832,0.014531368,3.60E-09,1.48E-36,1.17E-85,1.78E-156,5.23E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.209548666,5.605536529,2.36556285,4.903279592,3.501264153,2.643424374,2.573215013,1.406741644,0.88926181,0.204144599,0.15142806,3.75E-08,1.54E-35,1.22E-84,1.85E-155,5.45E-248,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212771325,5.989441044,9.821913408,9.727356866,16.71675408,7.508268493,8.276948801,8.101173223,5.511268929,1.291073351,1.83828441,4.55E-07,1.87E-34,1.48E-83,2.25E-154,6.62E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.782358525,5.645931995,3.606852369,5.57100193,5.521412669,3.453069916,3.275590724,2.289802073,1.505279484,0.347648947,0.328921981,8.15E-08,3.34E-35,2.64E-84,4.03E-155,1.18E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389627238,6.255877998,13.3829241,12.50955793,23.66387409,9.832420878,11.87426607,12.11594233,8.260800307,1.94247179,3.009000246,7.45E-07,3.06E-34,2.42E-83,3.68E-154,1.08E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.967193635,5.314903157,6.001497642,7.323199855,9.59201458,5.152280359,5.42735884,4.72040677,3.229093153,0.767965652,0.822998542,2.04E-07,8.36E-35,6.61E-84,1.01E-154,2.96E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.058983373,1.717931863,0.67707967,0.560870229,0.314985968,0.522422968,0.507720656,0.420623378,5.453994906,8.489477195,17.5016104,0.341305344,1.450767002,2.233968092,1.169777309,0.222885384,0.615989943,0.322552082,0.279600997,0.235449416,0.046118985,3.626630785,3.371890284,7.580975225,0.423984915,0.561169398,2.561347011,1.387521326,0.403532162,0.588490653,0.318794497,0.366920236,0.331241845,0.150505751,4.3524005,5.147418981,10.93394196,0.382735979,0.848667832,3.038531807,1.704364152,0.66585856,0.561780313,0.315112129,0.515490141,0.499735204,0.406921799,5.408754519,8.33686256,17.19394188,0.34267047,1.422147145,2.707405743,1.484562455,0.483937736,0.579012021,0.317491942,0.409710374,0.379182186,0.216003492,4.675905934,6.047964516,12.66896764,0.368518031,1.004896052,3.123018961,1.760407985,0.712203533,0.55811744,0.314604045,0.544431012,0.533129594,0.464948749,5.595630479,8.975781441,18.48695561,0.337176161,1.542509355,3.054454474,1.707393034,0.667643312,0.562567389,0.314466511,0.52083036,0.501525612,0.40879914,5.42949082,8.394369934,17.30572364,0.343851083,1.431155113 +UMLS0199,L,"cis-i,3-dimetmylcyclohexane",C[C@H]1CCC[C@H](C1)C,16629,Sandia values from independent api report ,Sandia,,C8H16,UML,"cis-1,3-dimethylcyclohexane",0.7,0,2.048,4.194304,33.4516,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1238.953135,960.504724,772.042996,271.436256,30.48192,0,0,3399.790734,4147.41404,5371.798596,5499.57267,4335.742164,2679.624282,932.5123329,0,0,146.842108,144.889944,254.804092,304.556368,371.274448,190.180224,201.55392,0,0,25.74688067,32.32302034,44.45683953,49.23237685,42.08235351,26.72103934,13.33838715,0,0,3476.407621,2904.481805,5677.860524,6733.31762,9339.72367,4293.28431,5547.529561,0,0,41.80555556,46.5,64.55555556,82.5,78.66666667,55,30,0,0,48.76541633,51.7541979,34.41536486,22.33731916,14.29709252,10.05319467,1.016064,0,0,161.8947969,207.370702,149.2166277,127.8970388,80.29152155,99.24534379,31.08374443,0,0,6.992481333,7.2444972,7.077891444,7.082706233,6.875452741,7.043712,6.718464,0,0,1.226041937,1.616151017,1.234912209,1.144938996,0.779302843,0.989668124,0.444612905,0,0,165.54322,145.2240902,157.7183479,156.5887819,172.9578457,159.01053,184.917652,0,0,1.990740741,2.325,1.793209877,1.918604651,1.456790123,2.037037037,1,0,0,0.042772446,-0.005673988,-0.004239037,-0.028452567,0.028597441,-0.037995364,0.026377291,0,0,564.9747087,-53.80711511,40.35533633,-511.1675936,363.198027,-524.6193723,403.5533633,0,0,1050.594596,-100.0566282,75.04247115,-950.5379679,675.3822403,-975.5521249,750.4247115,0,0,0.110674667,-0.010540444,0.007905333,-0.100134222,0.071148,-0.102769333,0.079053333,0,0,4.696646663,-0.447299682,0.335474762,-4.24934698,3.019272855,-4.361171901,3.354747616,0,0,25.51225921,-2.429738973,1.822304229,-23.08252024,16.40073807,-23.68995498,18.22304229,0,0,5.793650794,-2.139455782,2.103741497,-5.051020408,5.39569161,-6.079931973,2.87414966,0,0,0.002036783,-2.84E-04,-1.18E-04,-6.62E-04,5.30E-04,-0.001407236,8.79E-04,0,0,26.90355756,-2.690355756,1.120981565,-11.88761845,6.725889389,-19.43034712,13.45177878,0,0,50.0283141,-5.00283141,2.084513087,-22.10553414,12.50707852,-36.13156018,25.01415705,0,0,0.005270222,-5.27E-04,2.20E-04,-0.002328703,0.001317556,-0.003806272,0.002635111,0,0,0.223649841,-0.022364984,0.009318743,-0.098822023,0.05591246,-0.161524885,0.111824921,0,0,1.214869486,-0.121486949,0.050619562,-0.536802796,0.303717372,-0.87740574,0.607434743,0,0,0.275888133,-0.106972789,0.058437264,-0.117465591,0.099920215,-0.225182666,0.095804989,0,0,-0.139287968,-0.057812251,-0.324868946,0.260009147,-0.690910919,0.431682198,0,0,-0.1,0.041666667,-0.441860465,0.25,-0.722222222,0.5,0,0,-0.1,0.041666667,-0.441860465,0.25,-0.722222222,0.5,0,0,-0.1,0.041666667,-0.441860465,0.25,-0.722222222,0.5,0,0,-0.1,0.041666667,-0.441860465,0.25,-0.722222222,0.5,0,0,-0.1,0.041666667,-0.441860465,0.25,-0.722222222,0.5,0,0,-0.387739726,0.211815068,-0.425772539,0.36217656,-0.816210046,0.347260274,0,0,1.449945661,1.063002079,1.353046821,0.560170062,1.913783274,0.087688896,0,0,1.5,1.071428571,1.544850498,0.515873016,1.746031746,0,0,0,1.5,1.071428571,1.544850498,0.515873016,1.746031746,0,0,0,1.5,1.071428571,1.544850498,0.515873016,1.746031746,0,0,0,1.5,1.071428571,1.544850498,0.515873016,1.746031746,0,0,0,1.5,1.071428571,1.544850498,0.515873016,1.746031746,0,0,0,1.764383562,0.496765601,1.631251991,0.326737697,2.557077626,0,0,0,26.56346454,13.28173227,20.57934946,26.56346454,3.794780648,13.28173715,-3.55E-15,0.05926294,0.008466134,-1.978039783,33.21910597,4.745586567,2.452187634,26.56346454,13.28173227,20.57934946,26.56346454,3.794780648,13.28173715,-3.55E-15,0.05926294,0.008466134,-1.978039783,33.21910597,4.745586567,2.452187634,26.56346454,13.28173227,20.57934946,26.56346454,3.794780648,13.28173715,-3.55E-15,0.05926294,0.008466134,-1.978039783,33.21910597,4.745586567,2.452187634,26.56346454,13.28173227,20.57934946,26.56346454,3.794780648,13.28173715,-3.55E-15,0.05926294,0.008466134,-1.978039783,33.21910597,4.745586567,2.452187634,26.56346454,13.28173227,20.57934946,26.56346454,3.794780648,13.28173715,-3.55E-15,0.05926294,0.008466134,-1.978039783,33.21910597,4.745586567,2.452187634,26.56346454,13.28173227,20.57934946,26.56346454,3.794780648,13.28173715,-3.55E-15,0.05926294,0.008466134,-1.978039783,33.21910597,4.745586567,2.452187634,39.06663496,19.32081748,31.00686758,38.76306353,5.537580505,19.32081749,-0.425,0.115433646,0.016490521,-1.511341587,21.81299318,3.116141883,2.157754067,0,11.89,12.11009426,-0.173158075,0.049774147,5.798641854,7.822771901,6,20,19,19,5,1,1,0,0,1,15.304898,3.553668318,3.135864737,2.333552793,2.258160671,2.099516103,1.040866719,0.423019193,0.083923071,1.906683543,1.634937515,1.249629723,1.156667681,1.002020597,0.391171052,0.083923071,0.083923071,3.57588318,3.168924489,2.405454588,2.328169045,2.16725074,1.155849939,0.536208519,0.270913902,1.852043465,1.561783559,1.134540686,1.043414741,0.88536371,0.235110927,0.270913902,0.270913902,3.67636626,3.316136463,2.704236987,2.620435048,2.455789033,1.618398092,0.96371556,0.943918427,1.696968375,1.345761678,0.76031856,0.675471538,0.511003264,0.297956534,0.943918427,0.943918427,3.592399782,3.193399423,2.457539916,2.378974363,2.216770996,1.23839176,0.615759594,0.399277246,1.817732249,1.515066941,1.058262671,0.968360172,0.808372988,0.129777342,0.399277246,0.399277246,3.726936128,3.388477963,2.838982085,2.752732393,2.588903236,1.817646114,1.207644823,1.207644823,1.650475597,1.278619582,0.631337262,0.548962601,0.384463158,0.491875365,1.134173855,1.207644823,3.607983242,3.227198094,2.533369129,2.529124506,2.25743738,1.241900044,0.643137959,0.518518519,1.870174923,1.452996234,0.973568951,0.899529085,0.645712126,0.087057927,0.518518519,0.518518519,0,0,1,0,1,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.65824829,0,0,0,0.471404521,0.942809042,0.23570226,0.348461713,0.637136847,0.144337567,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,5.491563832,2.77005561,2.555077777,0.756710003,0.696923425,0,0,0,0.784509119,0.461675935,0.365011111,0.189177501,0.174230856,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,3,1,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.082314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.358819444,0,0,0,0.984930556,0.580555556,0,0.358819444,0,0,0,0,0,0,0,0,6.475555556,3.795277778,1.166666667,0,0,0,0.775462963,0,0,1.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.358819444,0,0,0,0.225625,0.290277778,0,0.358819444,0,0,0,0,0,0,0,0,2.069444444,3.795277778,1.166666667,0,0,0,0.775462963,0,0,1.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.795277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.358819444,0,0,0,0.290277778,0.290277778,0,0.358819444,0,0,0,0,0,0,0,0,2.203055556,3.795277778,1.166666667,0,0,0,0.775462963,0,0,1.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.5,1.928571429,0.358819444,3.795277778,0.065972222,0.775462963,4.714771204,0.55787037,0.795277778,2.541666667,0.55787037,0.795277778,2.541666667,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0.28571,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.15751,0.87964,7.47656,1.31905,0.18844,2.58458,0.36923,3.12588,0.5413,0.07733,0.28812,0.04116,0.28812,0.04116,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.153291232,3.141619208,3.141619208,2.932461236,2.191067441,19.28421252,45.21911587,65.97400337,65.97400337,61.58168595,46.01241626,0.209068641,0.49024035,0.715253226,0.715253226,0.667634179,0.498840869,3.474021589,2.239026191,1.250698215,1.250698215,1.459856187,2.201249982,0.209068641,0.49024035,0.715253226,0.715253226,0.667634179,0.498840869,6.73287657,17.21697421,18.21303588,18.21303588,15.70314021,10.35774293,27.64912502,16.33397711,15.95461758,15.95461758,14.69966974,11.54361837,7,3.06122449,6,7,2,5,2.23,1.0519,1.889881575,2,4.618802154,0,0,2,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.108,0.104,0.16,2.909,7,4,4,0,0,0,0,0,0,28,2.079441542,2.302585093,1.791759469,1.945910149,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,2.5,0.444444444,0.5,0,0,0,0,0,0,0,0.416666667,0.063492063,0.125,0,0,0,0,0,0,0,0.60515873,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,0,126.9918924,3.807354922,3.295836866,3.891820298,4.65396035,5.262690189,6.033086222,6.64509097,7.417580402,8.030409562,8.803424212,67.03389907,2.564949357,0,3.713572067,0,4.976733742,0,6.300785795,0,7.655864018,7.958576904,98.10955045,4.671883355,12.50916243,1.787023205,0,0,0,48,4,3.389,26,1.2229,2.118093692,2.9549114,3.512516939,4.361382119,4.853088774,0,0,0,0,73.6156376,83.40383548,71.02757209,56.69095268,44.81884911,4.931048792,0,0,0,0,277.7186352,345.6042922,392.325364,302.3412671,440.1858105,150.8521712,0,0,0,0,8.892335553,15.0567315,20.96163006,24.20356902,30.75533894,32.60530222,0,0,0,0,2.107286619,2.794594708,3.471256369,2.866888298,4.375006822,2.157745897,0,0,0,0,175.5375183,329.408772,460.3395848,603.5666074,690.7162688,897.4217812,0,0,0,0,2.902458333,3.997096366,5.751694205,5.243726469,8.854893075,4.853088774,0,0,0,0,0.4370085,0.587319164,0.739539937,0.621485981,0.947669004,0.49695629,0,0,0,0,364.1731586,153.2855854,10.51467528,128.4362926,-54.06063524,-7.909996058,235.736866,207.3462206,18.42467134,0.739273592,0.311170614,0.021344851,0.260726408,-0.109743398,-0.016057337,179.3951398,75.50992809,5.179628419,63.26893159,-26.63077985,-3.896538817,0.126942147,0.236870008,3.931508419,4.231169634,492.6094512,0,1,0,395.3145785,19.88251942,7.339181199,531.3577082,23.05119754,8.099576812,655.1910442,25.59669987,8.685389863,1.440028788,1.440028788,370.9979183,306.7240259,105.7888861,1.209549585,3.506964974,2.899397443,3.831399819,3.477616438,6.454647571,0.856055056,4.067936095,4.967321182,4.810510914,14.76589525,2.586804928,6.409091791,4.531913246,8.195698755,3.561317401,3.350747815,1.019213035,1.628283808,2.42E-13,6.96E-48,3.86E-104,4.12E-182,8.49E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0.341404395,4.9141681,0.251794559,6.879140016,0.421589548,0.277624723,0.339337268,0.39736244,1.021908003,0.035752714,0.007209786,0.011468136,1.71E-15,4.90E-50,2.72E-106,2.90E-184,5.98E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,1.102068962,4.917720392,0.912926819,8.014554576,0.593382827,1.067567488,0.853943094,1.447878599,1.434730916,0.277149654,0.074885106,0.119506819,1.78E-14,5.11E-49,2.83E-105,3.02E-183,6.23E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,3.839800494,4.961485616,4.436125146,14.11523247,2.358673616,5.870421772,4.154545626,7.526799532,3.36852544,2.993824123,0.908122076,1.450771558,2.16E-13,6.20E-48,3.44E-104,3.67E-182,7.57E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,1.62424134,4.922325675,1.446763509,8.93485223,0.791533585,1.746903079,1.308509734,2.329745374,1.749453367,0.572100047,0.162583224,0.25958478,3.87E-14,1.11E-48,6.15E-105,6.57E-183,1.35E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,4.912619538,4.991858841,6.304903913,17.36557779,3.539994565,8.588966115,6.06618275,10.88975477,4.317525958,4.847110665,1.486324053,2.374698905,3.54E-13,1.02E-47,5.63E-104,6.01E-182,1.24E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,2.256336612,3.54572579,1.793831072,9.912816237,1.012851081,2.44632545,1.592917559,2.947552757,2.166814666,0.943388317,0.274136859,0.437782752,6.52E-14,1.87E-48,1.04E-104,1.11E-182,2.28E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,3.779273987,1.467824,0.562681814,0.650502105,0.252647097,0.533388532,0.542890633,0.47448388,5.809779801,8.499755673,17.4309054,0.475753157,1.550763045,2.92324022,0.86670502,0.213288722,0.730219679,0.216501216,0.31951876,0.190538964,0.068146845,4.003233962,3.341939551,7.885559042,0.595329519,0.578204569,3.262946535,1.105606946,0.35218185,0.691194551,0.234202273,0.397822537,0.309233813,0.18587784,4.720735331,5.146061599,11.13730576,0.536791826,0.892934191,3.758054453,1.452957633,0.55404273,0.651867948,0.252028416,0.527422974,0.532036421,0.460029583,5.765054816,8.347417266,17.13770822,0.477801922,1.519488977,3.414493877,1.212028472,0.414032875,0.677404319,0.24045535,0.435539997,0.371198637,0.25691388,5.040555223,6.053996142,12.80801143,0.516106478,1.063652514,3.845714308,1.51436169,0.58972579,0.646360071,0.254523049,0.552286063,0.577564783,0.521174944,5.949801788,8.984777471,18.36902574,0.469540107,1.65102579,3.761594179,1.457045299,0.554144328,0.651608358,0.252399076,0.528453811,0.53499639,0.458879825,5.772783805,8.372692579,17.18263788,0.477412538,1.522330027 +UMLS0200,L,"2,4-Dimethyl-1-Pentene",CC(C)CC(=C)C,16657,,"Sandia, UML",[1],C7H14,PubChem,,14.6,0,0.8404,0.70627216,30.8396,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1598.091777,1031.200804,399.786073,90.93168,9.144576,0,0,3399.790734,4570.930941,6845.084609,6384.093196,3638.87454,1247.927098,279.7536999,0,0,146.842108,152.43046,299.153988,407.329168,384.24106,163.638144,60.466176,0,0,25.74688067,35.11192034,55.82667958,59.24622745,39.28337506,14.68429815,4.001516144,0,0,3476.407621,3031.276161,6480.349218,9348.106878,9724.95334,4247.253023,1664.258868,0,0,32.30555556,39.25,65.94444444,86.33333333,70,30,9,0,0,48.76541633,56.15943233,38.04980421,17.77932421,7.139037018,3.78882,1.016064,0,0,161.8947969,217.6633782,162.978205,110.0705723,64.97990251,51.99696242,31.08374443,0,0,6.992481333,7.258593333,7.122714,7.02291669,6.8614475,6.818256,6.718464,0,0,1.226041937,1.671996207,1.329206657,1.02148668,0.70148884,0.611845756,0.444612905,0,0,165.54322,144.3464838,154.294029,161.1742565,173.6598811,176.9688759,184.917652,0,0,1.538359788,1.869047619,1.57010582,1.488505747,1.25,1.25,1,0,0,0.028021059,-0.002788608,-0.001600313,-0.022556882,0.005240851,0.002865749,0.004828673,0,0,564.9747087,4.62E-13,-40.35533633,-511.1675936,67.25889389,80.71067267,121.066009,0,0,1050.594596,0,-75.04247115,-950.5379679,125.0707852,150.0849423,225.1274134,0,0,0.110674667,1.58E-15,-0.007905333,-0.100134222,0.013175556,0.015810667,0.023716,0,0,4.696646663,7.55E-15,-0.335474762,-4.24934698,0.559124603,0.670949523,1.006424285,0,0,25.51225921,1.91E-14,-1.822304229,-23.08252024,3.037173716,3.644608459,5.466912688,0,0,2.145502646,-0.896825397,0.431216931,-1.341017889,0.625220459,-0.245653817,0.35430839,0,0,0.001334336,-1.33E-04,-3.81E-05,-3.89E-04,9.36E-05,1.19E-04,5.37E-04,0,0,26.90355756,2.20E-14,-0.960841341,-8.813234372,1.201051677,3.362944694,13.45177878,0,0,50.0283141,0,-1.786725503,-16.38858565,2.233406879,6.253539262,25.01415705,0,0,0.005270222,7.54E-17,-1.88E-04,-0.001726452,2.35E-04,6.59E-04,0.002635111,0,0,0.223649841,3.60E-16,-0.007987494,-0.073264603,0.009984368,0.02795623,0.111824921,0,0,1.214869486,9.09E-16,-0.043388196,-0.397974487,0.054235245,0.151858686,0.607434743,0,0,0.102166793,-0.042705971,0.01026707,-0.023120998,0.011164651,-0.010235576,0.039367599,0,0,-0.099518284,-0.02855554,-0.291464603,0.070137215,0.089487362,0.402086988,0,0,8.17E-16,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,0,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,1.43E-14,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,1.61E-15,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,7.48E-16,-0.035714286,-0.327586207,0.044642857,0.125,0.5,0,0,-0.418002466,0.100493218,-0.226306391,0.109278668,-0.100184957,0.385326757,0,0,1.527399563,1.117012583,1.325574756,0.684674058,0.657708233,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.428571429,1.224489796,1.330049261,0.68877551,0.535714286,0,0,0,1.935881628,0.733662145,1.250053149,0.6797164,1.165228113,0,0,0,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,24.09298544,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,1.24E-14,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,27.96203969,13.89173413,20.50536604,27.83448867,3.976355525,13.89173666,-0.178571429,2.22E-16,3.17E-17,-25.23055737,2000016.269,285716.6099,10.15606611,0,11.89,12.11009426,-0.163181251,0.057741111,5.809849799,7.769255455,7,21,21,21,7,0,0,0,0,0,15.304898,3.670058915,2.933810622,2.568356182,2.214034341,1.840573327,0.98819579,0.898836676,0.083923071,1.820055384,1.784392849,1.296410032,1.14153701,0.728697418,0.430007647,0.32530402,0.083923071,3.693122535,2.974228832,2.620054894,2.281999042,1.918428202,1.111527094,1.02732901,0.270913902,1.759669096,1.720804688,1.191241112,1.027268224,0.590909257,0.279396622,0.161003297,0.270913902,3.794799492,3.153618635,2.846743542,2.56645936,2.244248759,1.597243875,1.531069198,0.943918427,1.584305129,1.534222857,0.856807739,0.656619408,0.134098508,0.227674607,0.41162516,0.943918427,3.710123482,3.00414231,2.658192536,2.331360111,1.975003119,1.199329816,1.118667035,0.399277246,1.721399536,1.680334487,1.122087157,0.95158259,0.498863226,0.178221864,0.04938883,0.399277246,3.84455841,3.240986499,2.955115796,2.695693538,2.39175294,1.802727072,1.743066004,1.207644823,1.530440043,1.476327506,0.744668785,0.52944963,0.025930955,0.408464249,0.626104263,1.207644823,3.69742235,3.129789868,2.768810474,2.445685514,2.071696928,1.330336592,1.256370784,0.626865672,1.691948461,1.647492979,0.938117443,0.765204986,0.360295356,0.035765205,0.126771621,0.626865672,0,0,0,0,0,2,3,2,0,0,0,0.11785113,0.23570226,0.11785113,0,0,0.11785113,0.23570226,0.11785113,0.577350269,0,0,0,0.577350269,0,0,0,0.741581624,1.040440115,0.589255651,0.741581624,1.040440115,0.589255651,5.276020882,3.2876937,3.023395961,1.95700308,1.491624578,0.638071187,0,0,0.753717269,0.469670529,0.335932885,0.217444787,0.149162458,0.127614237,0,0,5.276020882,3.2876937,3.023395961,1.95700308,1.491624578,0.638071187,0,0,0.753717269,0.469670529,0.335932885,0.217444787,0.149162458,0.127614237,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.4425,32.179,22.47266809,30.16393587,44.94533619,6.420762312,22.47266809,3.33E-16,4.76E-17,-24.9467318,2000014.736,285716.3909,10.15606557,42,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,4.701388889,0,4.418981481,0,0,0,2.046296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.350694444,0,1.472222222,0,0,0,1.023148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.350694444,0,1.47337963,0,0,0,1.023148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.16666667,1.595238095,0.2,2.350694444,0.2,1.023148148,5.030625,0.310185185,0.350694444,1.402777778,0.310185185,0.350694444,1.402777778,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.28571,0.28571,0,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.88311,0.9833,6.88311,0,0,3.28768,0.46967,3.28768,0,0,0.12632,0.01805,0.21232,0.03033,0.238095238,7,0,0,0,0,0,0,1,0.918295834,1.437181403,2.534243613,2.796613851,2.606137661,2.534243613,19.28421252,30.18080947,53.21911587,58.72889087,54.72889087,53.21911587,0.209068641,0.327203447,0.576971874,0.636705771,0.593340009,0.576971874,3.474021589,2.95513602,1.85807381,1.595703572,1.786179762,1.85807381,0.209068641,0.327203447,0.576971874,0.636705771,0.593340009,0.576971874,6.73287657,12.9595034,15.50715994,15.77158323,13.48586895,15.50715994,27.64912502,20.43243106,19.72855157,19.09910259,22.28154241,19.72855157,5.142857143,1.851851852,1.185185185,0,0,0,2.23,0.9863,0.25,2.620741394,2.309401077,0,1.889881575,4.762203156,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.167,9,9,10,5,0,0,0,0,0,47,2.079441542,2.302585093,2.302585093,2.397895273,1.791759469,0,0,0,0,0,3.871201011,1,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,0,2,4,1,2,0.666666667,0.569444444,0,0,0,0,0,0,0,0.285714286,0.074074074,0.142361111,0,0,0,0,0,0,0,0.502149471,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,0,117.2718924,3.807354922,3.496507561,4.234106505,5.043425117,5.802118375,6.610696045,7.378383713,8.182838711,8.955835144,9.75643661,73.46034778,2.708050201,0,3.931825633,2.397895273,5.303304908,4.59511985,6.736966958,6.502790046,8.206583614,8.621913502,98.10955045,4.671883355,13.45353991,1.921934272,0,0,0,41,4,3.861,32,1.343117981,2.387748184,3.30076489,4.055729021,4.90477517,5.618364738,0,0,0,0,95.70321648,107.3145279,66.93564181,32.92165967,19.89113576,5.708618149,0,0,0,0,339.7181944,434.5736926,389.9333773,280.5345184,264.8975453,174.6398136,0,0,0,0,9.8140227,17.10377092,23.25362753,27.88951434,33.48908162,37.74678123,0,0,0,0,2.502707816,3.446192002,3.543437782,2.966017675,3.079844572,2.497997467,0,0,0,0,189.8352978,361.5686675,526.5937837,699.5695377,864.2433504,1038.934816,0,0,0,0,2.571827921,3.916571251,5.04690928,5.187680066,6.248886434,5.618364738,0,0,0,0,0.516208864,0.721163011,0.758827304,0.652475557,0.687198687,0.575320549,0,0,0,0,301.3907856,108.0771834,7.681875059,54.21747512,-19.44210732,-2.775911306,247.1733105,127.5192907,10.45778637,0.847535951,0.303922027,0.021602071,0.152464049,-0.054672823,-0.007806093,107.1770531,38.4331392,2.731738229,19.28018203,-6.913773969,-0.987136992,0.082656363,0.173762382,1.532306508,1.699488296,355.6082607,0,1,0,340.3421315,18.44836393,6.981872358,475.9606367,21.8165221,7.807710088,540.9259275,23.25781433,8.147904551,1.170540799,1.079704131,380.6148952,359.2357983,138.1975316,1.059512713,2.754136711,2.599437154,4.130397679,3.964631517,7.232820171,0.824336042,3.904607748,3.492871915,2.203786955,9.905142693,10.1560406,6.933149317,5.684510452,10.86158054,4.289390457,1.376926042,1.954472533,0.667930616,0.004424831,7.94E-04,2.75E-26,1.83E-70,2.36E-136,5.86E-224,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,3.492623452,0.747249648,3.211139567,1.164599427,2.579858486,0.302784826,0.42632748,0.460604942,0.098123644,0.023665484,0.00472018,3.12E-05,5.59E-06,1.94E-28,1.29E-72,1.66E-138,4.13E-226,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,3.492640606,0.979796962,4.165462939,2.373448994,3.191054992,1.007074656,1.52651488,0.918209089,0.328241316,0.168882175,0.049063152,3.25E-04,5.83E-05,2.02E-27,1.35E-71,1.73E-137,4.30E-225,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,3.492844831,2.09170778,9.349565538,9.383957741,6.568507993,5.215577745,9.858407852,3.940398327,1.287702623,1.748216559,0.595125095,0.003942445,7.07E-04,2.45E-26,1.63E-70,2.10E-136,5.22E-224,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,3.492662347,1.158662878,4.942926757,3.389305738,3.692988914,1.607604108,2.587548826,1.328522286,0.495388641,0.342473094,0.106532621,7.05E-04,1.27E-04,4.38E-27,2.92E-71,3.76E-137,9.35E-225,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,3.492985676,2.64477942,12.12771149,13.26636384,8.394678047,7.579111867,14.98955131,5.711667093,1.719697268,2.818123535,0.974062203,0.0064532,0.001157883,4.01E-26,2.67E-70,3.44E-136,8.55E-224,0,0,0,0,0,0,0,0,0,0,0,0,2.593793786,3.311288551,1.290460218,6.065826389,5.455404525,4.588287564,2.969007901,5.035033834,2.670022247,0.851099565,0.818632869,0.262551613,0.001738784,3.12E-04,1.08E-26,7.21E-71,9.28E-137,2.30E-224,0,0,0,0,0,0,0,0,0,0,0,0,3.841498335,1.325580748,1.152801804,0.607843471,0.209747742,0.495868308,0.385181716,0.554347888,6.319880886,11.04883432,23.23903127,0.411765207,1.435397913,3.067508003,0.813448624,0.602042661,0.684253511,0.181451874,0.316269641,0.144907374,0.150377324,4.482999288,4.831761619,10.81701398,0.526380267,0.611554339,3.374731392,1.016890157,0.820927487,0.647424392,0.195085005,0.382710194,0.226582341,0.280394025,5.212549036,7.036933978,15.06668543,0.471136588,0.889686559,3.822319267,1.312905142,1.139180464,0.609192321,0.209247756,0.490927953,0.377848408,0.541290478,6.274404873,10.86828995,22.8594927,0.413788481,1.410066839,3.511753166,1.107553856,0.918432365,0.63414923,0.20000108,0.414399007,0.268834102,0.351296901,5.537739386,8.131976831,17.24191827,0.451223844,1.03453001,3.901547992,1.365263976,1.195442174,0.603744128,0.211267453,0.511497925,0.40859339,0.596220488,6.462254141,11.62281207,24.4527598,0.405616192,1.516311802,3.839437477,1.313315945,1.142992541,0.609846315,0.208603707,0.495332478,0.378207276,0.545018408,6.295745962,10.93195318,22.99111839,0.414769473,1.418558162 +UMLS0201,L,"cis-1,3-dimethylcyclopentane",C[C@@H]1CC[C@@H](C1)C,17326,Sandia values from independent API report ,Sandia,,C7H14,PubChem,,6.1,0,1.3601,1.84987201,51.5331,30.028688,6,6,27,11,16,0,11,0,0,0,0,0,0,0,0,0,1603.162355,1780.618739,2210.453461,2137.901484,1730.339361,1264.273926,711.426747,292.683049,56.556864,5156.02583,6494.471781,8852.27832,9344.365689,8334.371961,6812.86264,4426.029515,2151.875848,707.6164209,190.4411,196.827788,343.950484,445.901232,444.233412,420.41436,333.334956,186.611428,82.21824,37.79170648,48.49460896,69.87829961,77.54786311,71.85286464,61.47937042,42.42184023,21.70708098,8.011080479,4353.420349,3844.69868,7261.976634,9934.889188,10045.66887,9760.671112,8033.980219,4584.907161,2091.831407,53.05555556,64.13888889,95.5,113.3333333,111.1666667,102.3333333,75.5,40.5,16,59.37638352,65.94884219,46.05111377,33.93494419,27.46570414,21.0712321,14.82139056,10.84011293,4.713072,190.9639196,240.5359919,184.422465,148.3232649,132.2916184,113.5477107,92.20894824,79.69910549,58.96803508,7.053374074,7.289918074,7.165635083,7.077797333,7.051324,7.006906,6.94447825,6.91153437,6.85152,1.399692833,1.796096628,1.455797909,1.230918462,1.140521661,1.024656174,0.883788338,0.803965962,0.66759004,161.2377907,142.3962474,151.2911799,157.6966538,159.4550614,162.6778519,167.3745879,169.8113763,174.3192839,1.965020576,2.375514403,1.989583333,1.798941799,1.764550265,1.705555556,1.572916667,1.5,1.333333333,0.059862261,-0.004402411,-0.017592557,-0.005747528,-0.008361876,-0.001896735,-0.0032438,0.00358102,0.003475556,789.1710216,-9.02E-13,-75.72853238,-43.34462051,-209.2498921,-188.8231169,-3.98571223,22.4196313,43.84283453,1467.497214,3.69E-13,-140.8204397,-80.60117271,-389.1091096,-351.1246489,-7.411602089,41.69026175,81.52762297,0.154593185,1.50E-15,-0.0148347,-0.008490914,-0.040990617,-0.036989152,-7.81E-04,0.004391852,0.00858851,6.560395338,1.65E-14,-0.629532886,-0.360324744,-1.739498764,-1.569690551,-0.03313331,0.186374868,0.364466408,35.6361716,-1.86E-13,-3.419632628,-1.957289728,-9.448984894,-8.526583987,-0.179980665,1.012391239,1.979787311,5.055555556,-0.305555556,0.388888889,0.222222222,-1.055555556,-1.444444444,-0.5,-0.166666667,-4.16E-16,0.002217121,-1.63E-04,-3.67E-04,-9.12E-05,-1.33E-04,-3.16E-05,-6.76E-05,1.33E-04,2.90E-04,29.22855636,-3.34E-14,-1.577677758,-0.688009849,-3.321426859,-3.147051949,-0.083035671,0.830356715,3.653569545,54.35174865,1.37E-14,-2.93375916,-1.279383694,-6.176335074,-5.852077482,-0.154408377,1.544083768,6.793968581,0.005725674,5.57E-17,-3.09E-04,-1.35E-04,-6.51E-04,-6.16E-04,-1.63E-05,1.63E-04,7.16E-04,0.242977605,6.11E-16,-0.013115268,-0.00571944,-0.027611091,-0.026161509,-6.90E-04,0.006902773,0.030372201,1.319858207,-6.88E-15,-0.071242346,-0.031068091,-0.149983887,-0.142109733,-0.003749597,0.037495972,0.164982276,0.187242798,-0.011316872,0.008101852,0.003527337,-0.01675485,-0.024074074,-0.010416667,-0.00617284,-3.47E-17,-0.073542341,-0.16530971,-0.041148233,-0.059865118,-0.014258243,-0.030480602,0.059820987,0.130633222,-1.14E-15,-0.053977273,-0.023538961,-0.113636364,-0.107670455,-0.002840909,0.028409091,0.125,2.52E-16,-0.053977273,-0.023538961,-0.113636364,-0.107670455,-0.002840909,0.028409091,0.125,9.73E-15,-0.053977273,-0.023538961,-0.113636364,-0.107670455,-0.002840909,0.028409091,0.125,2.51E-15,-0.053977273,-0.023538961,-0.113636364,-0.107670455,-0.002840909,0.028409091,0.125,-5.21E-15,-0.053977273,-0.023538961,-0.113636364,-0.107670455,-0.002840909,0.028409091,0.125,-0.06043956,0.043269231,0.018838305,-0.089481947,-0.128571429,-0.055631868,-0.032967033,-1.85E-16,1.196688915,1.082335421,0.952045349,0.989279803,0.986136768,0.96649813,1.007675181,0.890555011,1.181818182,1.121803977,1.012987013,1.076298701,1.030397727,0.872514205,0.8125,0.664772727,1.181818182,1.121803977,1.012987013,1.076298701,1.030397727,0.872514205,0.8125,0.664772727,1.181818182,1.121803977,1.012987013,1.076298701,1.030397727,0.872514205,0.8125,0.664772727,1.181818182,1.121803977,1.012987013,1.076298701,1.030397727,0.872514205,0.8125,0.664772727,1.181818182,1.121803977,1.012987013,1.076298701,1.030397727,0.872514205,0.8125,0.664772727,1.253968254,0.892857143,0.878684807,1.048752834,1.122619048,1.017857143,0.976190476,0.857142857,53.12694476,26.56347238,40.28454909,53.12694476,4.829722251,26.56347238,-1.42E-14,0.300004266,0.027273115,-1.324354442,59.34202777,5.394729797,4.491649565,53.12694476,26.56347238,40.28454909,53.12694476,4.829722251,26.56347238,-1.42E-14,0.300004266,0.027273115,-1.324354442,59.34202777,5.394729797,4.491649565,53.12694476,26.56347238,40.28454909,53.12694476,4.829722251,26.56347238,-1.42E-14,0.300004266,0.027273115,-1.324354442,59.34202777,5.394729797,4.491649565,53.12694476,26.56347238,40.28454909,53.12694476,4.829722251,26.56347238,-1.42E-14,0.300004266,0.027273115,-1.324354442,59.34202777,5.394729797,4.491649565,53.12694476,26.56347238,40.28454909,53.12694476,4.829722251,26.56347238,-1.42E-14,0.300004266,0.027273115,-1.324354442,59.34202777,5.394729797,4.491649565,53.12694476,26.56347238,40.28454909,53.12694476,4.829722251,26.56347238,-1.42E-14,0.300004266,0.027273115,-1.324354442,59.34202777,5.394729797,4.491649565,68.67135802,33.9248167,53.34381046,68.56116519,6.232833199,33.9248167,-0.242424242,0.43615789,0.039650717,-0.912726066,107.0420496,9.731095414,5.140543918,0,11.85,12.15012665,-0.209912552,0.090239597,5.364330745,9.230201846,11,27,24,21,5,3,0,0,0,6,17.491312,3.802485203,3.359481799,2.948116927,2.619181914,2.4542653,2.22856305,1.510271326,1.124648476,2.005623023,1.781700342,1.530524419,1.145106169,1.082250302,0.967181199,0.674632734,0.428435846,3.814476835,3.387515119,2.986622149,2.645815032,2.48962348,2.29737968,1.603864584,1.234484092,1.971430403,1.720231521,1.446688531,1.032322572,1.007167592,0.885584829,0.533873107,0.276266613,3.869438925,3.512342567,3.15964723,2.771820215,2.656263563,2.575844574,1.991640539,1.678641448,1.880928106,1.537460974,1.194546161,0.798620231,0.69512597,0.623062467,0.063636086,0.24066125,3.823418776,3.408268199,3.015250872,2.665925019,2.515983365,2.347134478,1.671735881,1.313478931,1.950662254,1.680816329,1.392672542,0.960278991,0.958385759,0.833400535,0.439562511,0.173766424,3.897822111,3.573670811,3.244794783,2.838078588,2.756933936,2.683537305,2.164006213,1.871054728,1.855125486,1.48053034,1.115437187,0.738564276,0.610912335,0.510585907,0.102428688,0.42757049,3.864980734,3.370419052,3.044575739,2.774320393,2.593814412,2.393306648,1.705875336,1.361736268,1.946995119,1.664745785,1.337567585,0.87104001,0.842749222,0.757749832,0.364611754,0.092536777,0,0,0,5,1,2,2,1,0,0,0,0,0.102062073,0.058925565,0,0,0,0.032075015,0.018518519,0.402368927,0,0.11785113,0,0.30034919,0,0.068041382,0,1.020220057,1.373773448,1.540440115,0.655417365,0.781103096,0.755392177,8.104448007,5.342535255,4.164049115,3.198584704,2.394246448,1.583776956,0.686886724,0.402368927,0.736768001,0.485685023,0.32031147,0.21323898,0.149640403,0.09898606,0.068688672,0.050296116,7.378315178,4.392064078,3.100406307,2.090295922,1.381251141,0.709170362,0.298328589,0.150856748,0.670755925,0.399278553,0.238492793,0.139353061,0.086328196,0.044323148,0.029832859,0.018857093,15.33462243,26.10269483,24.80392157,25.08,17.38843593,204.4541246,0.567948979,0.966766475,0.918663762,0.928888889,0.644016145,7.572374983,3.5902,49.765,48.58066272,70.80262708,97.16132543,8.832847767,48.58066272,0.242785013,0.022071365,-1.557136843,45.82054438,4.165504034,4.207205814,116,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,5,0,0,5,0,0,0,0,0,0,0,0,2,0,2,0,0,5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.18108371,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.969815405,0,1.42386515,0,0,1.969815405,0,0,0,0,0,0,0,0,4.526064815,0,2.569518141,0,0,10.71409297,0.723333333,0,0,0,1.466990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.466990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374027778,0,0.237999221,0,0,0.374027778,0,0,0,0,0,0,0,0,2.235555556,0,1.273869992,0,0,2.071592971,0.723333333,0,0,0,1.466990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.208657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.41710282,0,0.359305556,0,0,0.41710282,0,0,0,0,0,0,0,0,2.290509259,0,1.295648148,0,0,2.208657407,0.723333333,0,0,0,1.466990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20,1.818181818,0.41710282,2.290509259,0.106319444,0.723333333,6.998096357,0.61,0.290509259,2.480315571,0.61,0.290509259,2.480315571,5.5,0.5,0,0,0.46296,0.7,0.43333,0.43333,0.7,0.02963,0.02963,0,0,0.71429,0,0,0.18182,0.18182,0,11.5,1.04545,5.5,0.5,6,0.54545,0.5,0.04545,0,0,8.20185,0.74562,13.16786,4.96601,0.45146,3.38621,0.30784,5.34252,1.95631,0.17785,0.07148,0.0065,0.15748,0.01432,0.222222222,11,0,0,0,0,0,0,0.454545455,0.975119065,2.337367919,3.203987392,3.930270372,4.106377317,4.106377317,26.32821475,63.1089338,86.50765958,106.1173001,110.8721876,110.8721876,0.20507721,0.491571655,0.673830325,0.826574839,0.863611876,0.863611876,3.779768437,2.417519583,1.55090011,0.82461713,0.648510185,0.648510185,0.198724436,0.476344005,0.652956761,0.800969636,0.836859359,0.836859359,6.784181073,17.29448048,21.77280699,24.4405715,24.61805649,24.61805649,41.99082118,30.36338179,22.97198418,17.86232362,17.33400279,17.33400279,9.090909091,4.792899408,2.844444444,5,6,5,2.67,1.4209,0.25,3.922536693,1.807204007,0,8.364004083,6.883202347,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.151,0.144,0.514,0.649,5.188,13,15,16,16,10,8,4,2,0,106,2.708050201,3.113515309,3.548179572,3.95364468,4.352694369,3.864669309,3.876395828,3.270044111,2.784239339,0,5.839187112,3.231132075,0.428571429,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.272727273,5,0.454545455,0,4,7,0.75,1.5,1.111111111,0.5625,0.191111111,0.152777778,0.060408163,0.027777778,0,0,0,0.136363636,0.085470085,0.046875,0.021234568,0.025462963,0.020136054,0.027777778,0,0,0,0.363320085,30.88786319,46.17985326,61.77572637,5.615975125,30.88786319,0.109408122,0.009946193,-2.433937161,58.8724693,5.352042664,4.482910924,0,167.6464548,4.459431619,3.891820298,4.65396035,5.442417711,6.228511004,7.025538315,7.818832444,8.617762246,9.413526084,10.2126987,85.30506715,3.135494216,0,4.317488114,0,5.720311777,0,7.217443432,0,8.758255243,9.004053938,148.1252005,5.486118537,21.52655437,1.956959488,0,0,0,164,12,4.58,48,1.237974213,2.164430983,2.952596944,3.708573141,4.485638912,5.513154883,6.610249222,7.775499893,8.599688969,0,91.72403858,109.1181174,108.5792508,117.3174906,110.2312149,93.21806878,77.6584239,36.67440266,8.737834373,0,321.3314287,424.4911208,462.5381997,532.1631851,561.1904803,546.5102187,554.3879049,458.7164725,267.3105341,0,9.056988609,15.56025343,20.9562806,26.23402401,31.57611051,38.39376015,45.79140635,53.27499758,57.77670075,0,2.351319141,3.300490727,3.786545727,4.475374504,4.93399741,5.121403371,5.514333388,5.192529726,3.823532693,0,174.2745411,323.9092541,461.3760826,585.4882897,718.824467,914.6972489,1114.365806,1355.339557,1590.234292,0,3.018713816,4.435867548,5.445778674,6.758758305,8.020200055,8.963154401,10.18570305,10.36984981,8.599688969,0,0.484370495,0.688154966,0.797522188,0.947037672,1.051946861,1.104620467,1.200652429,1.153193737,0.88060815,0,310.1511167,183.0872399,11.76730366,81.76649379,-48.26808886,-4.914090142,228.3846229,231.3553287,16.68139381,0.791368156,0.467157471,0.030024942,0.208631844,-0.123158765,-0.01253858,121.5536846,71.75511357,4.611813534,32.04572887,-18.91711405,-1.925918467,0.105091993,0.110548177,1.308890629,1.06036028,391.9176105,0,1,0,788.965793,28.0885349,9.240299714,945.0199318,30.74117649,9.813267923,1394.226474,37.33934217,11.17149018,2.155863452,2.056590322,982.4074397,872.45137,201.7165896,1.126031173,4.870236215,4.325134446,4.861472547,5.282500282,9.005334831,0.704748575,4.870821309,5.849987626,4.94153053,19.20327423,6.745838022,8.655761372,7.042948716,12.63952108,8.161724271,6.165315789,6.482276893,4.050927358,2.344931235,3.311506518,2.735291752,0.12706343,1.99694085,3.97E-11,1.58E-43,1.25E-97,1.96E-173,6.07E-271,0,0,0,0,0,0,0,0,0.408883799,5.667968415,0.378326766,7.180565277,1.557166835,1.411521777,1.247864291,1.789437024,1.922042085,0.631790842,1.414387662,0.877266331,1.007443579,0.207141069,0.171716765,0.004542459,0.014064618,2.80E-13,1.11E-45,8.81E-100,1.38E-175,4.27E-273,0,0,0,0,0,0,0,0,1.319660212,5.680131793,1.244616646,8.451948274,2.005019913,2.383335537,2.194321694,3.371839328,2.882192377,1.399658988,2.207012114,1.241212546,1.153491708,0.678300196,0.592433308,0.018696975,0.14656416,2.92E-12,1.16E-44,9.18E-99,1.44E-174,4.45E-272,0,0,0,0,0,0,0,0,4.597664636,5.830003686,4.639123973,18.04884962,6.211945865,8.032953331,6.604532144,11.75158889,7.668828823,5.698620303,6.086469442,3.756215836,2.218136385,3.063969527,2.542067865,0.115722777,1.779238345,3.54E-11,1.41E-43,1.11E-97,1.75E-173,5.41E-271,0,0,0,0,0,0,0,0,1.944879714,5.695901804,1.858644039,9.675883395,2.49395434,3.200961346,2.914239814,4.645861116,3.634390647,2.034155473,2.82293119,1.575335804,1.291446702,1.049988168,0.91169533,0.03163657,0.318356941,6.34E-12,2.52E-44,2.00E-98,3.13E-174,9.67E-272,0,0,0,0,0,0,0,0,5.882197583,5.934017289,6.087377996,23.95265414,8.968130812,11.16534462,8.761181312,16.1811264,10.11262035,8.038542029,8.044914899,5.256133413,2.865392891,4.293300112,3.491910207,0.173412805,2.912350554,5.80E-11,2.31E-43,1.83E-97,2.86E-173,8.85E-271,0,0,0,0,0,0,0,0,2.721931046,4.561512453,2.60565258,10.30915203,3.047993035,4.412754646,3.919261503,6.015583102,4.749810722,2.958974609,3.660036566,2.176350343,1.71744545,1.539544217,1.427278786,0.052788682,0.604074607,1.20E-11,4.78E-44,3.79E-98,5.94E-174,1.84E-271,0,0,0,0,0,0,0,0,6.61325258,1.800448315,0.675459302,0.727597758,0.198087422,0.513322156,0.48221001,0.407159524,9.089160197,17.589932,34.72166417,0.591396637,1.40269169,5.815893586,1.053856525,0.310394587,0.809996711,0.146773717,0.398315704,0.168818118,0.087003774,7.180144697,8.261450649,17.34404021,0.714995066,0.654137595,6.101518634,1.323068552,0.441659215,0.775658214,0.168195666,0.437759518,0.264336823,0.175226897,7.866246402,11.35186478,22.78350564,0.663487321,0.877323239,6.590056069,1.778944791,0.664897547,0.72948087,0.19691884,0.509759296,0.471119896,0.394622017,9.033898406,17.28787405,34.1165964,0.594221305,1.375501209,6.241082996,1.4538898,0.505592786,0.76105519,0.177291406,0.457740299,0.318016305,0.229150333,8.200565582,12.96436964,25.75260676,0.641582785,1.004906937,6.687232012,1.868943334,0.709121138,0.721750461,0.201714358,0.524773207,0.518308099,0.448416984,9.265296484,18.56542249,36.69335586,0.582625692,1.491498289,6.607372266,1.78309995,0.665057721,0.729650535,0.1969073,0.512455803,0.473470037,0.394677075,9.055529936,17.36175348,34.25273088,0.594475803,1.380602914 +UMLS0202,L,2-phenylpentane,CCCC(C)C1=CC=CC=C1,17627,,UML,[1],C11H16,PubChem,,8.2,0,1.5751,2.48094001,33.3648,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1106.796102,879.819364,649.875243,461.161346,157.477824,18.289152,0,3399.790734,4147.41404,5063.01831,4820.751333,3821.262689,2804.865983,1749.84433,559.5073998,0,146.842108,144.889944,254.381208,281.6068,291.028332,208.387208,166.033152,120.932352,0,25.74688067,32.32302034,42.78148384,43.2160183,36.40950577,26.7230696,18.69788658,8.003032287,0,3476.407621,2904.481805,5704.188715,6401.130394,7083.449828,5017.946613,4056.482397,3328.517736,0,37.27777778,44.25,63.16666667,69.83333333,60.66666667,45,36,18,0,48.76541633,51.7541979,30.74433617,21.9954841,15.47322007,15.37204487,6.561576,1.016064,0,161.8947969,207.370702,140.6393975,120.5187833,90.98244498,93.49553276,72.9101804,31.08374443,0,6.992481333,7.2444972,7.066144667,7.04017,6.929246,6.946240267,6.918048,6.718464,0,1.226041937,1.616151017,1.188374551,1.080400457,0.866892995,0.890768987,0.779078607,0.444612905,0,165.54322,145.2240902,158.4496865,160.0282598,168.6535673,167.2648871,169.0200999,184.917652,0,1.775132275,2.2125,1.75462963,1.745833333,1.444444444,1.5,1.5,1,0,0.038344619,4.76E-04,-0.010316263,-0.02191026,0.008281992,9.79E-04,-0.008030698,0.011348108,0,564.9747087,-53.80711511,-40.35533633,-269.0355756,40.35533633,-40.35533633,-161.4213453,242.132018,0,1050.594596,-100.0566282,-75.04247115,-500.283141,75.04247115,-75.04247115,-300.1698846,450.2548269,0,0.110674667,-0.010540444,-0.007905333,-0.052702222,0.007905333,-0.007905333,-0.031621333,0.047432,0,4.696646663,-0.447299682,-0.335474762,-2.236498411,0.335474762,-0.335474762,-1.341899046,2.01284857,0,25.51225921,-2.429738973,-1.822304229,-12.14869486,1.822304229,-1.822304229,-7.289216918,10.93382538,0,3.415343915,-0.960380448,0.793272865,-2.174729151,0.137566138,0.676492819,-1.490551776,1.310657596,0,0.001825934,2.38E-05,-2.87E-04,-5.48E-04,1.97E-04,3.26E-05,-3.35E-04,6.30E-04,0,26.90355756,-2.690355756,-1.120981565,-6.725889389,0.960841341,-1.345177878,-6.725889389,13.45177878,0,50.0283141,-5.00283141,-2.084513087,-12.50707852,1.786725503,-2.501415705,-12.50707852,25.01415705,0,0.005270222,-5.27E-04,-2.20E-04,-0.001317556,1.88E-04,-2.64E-04,-0.001317556,0.002635111,0,0.223649841,-0.022364984,-0.009318743,-0.05591246,0.007987494,-0.011182492,-0.05591246,0.111824921,0,1.214869486,-0.121486949,-0.050619562,-0.303717372,0.043388196,-0.060743474,-0.303717372,0.607434743,0,0.162635425,-0.048019022,0.022035357,-0.054368229,0.003275384,0.022549761,-0.062106324,0.072814311,0,0.013041739,-0.156940402,-0.299986981,0.107994187,0.017863802,-0.183255447,0.345275542,0,-0.1,-0.041666667,-0.25,0.035714286,-0.05,-0.25,0.5,0,-0.1,-0.041666667,-0.25,0.035714286,-0.05,-0.25,0.5,0,-0.1,-0.041666667,-0.25,0.035714286,-0.05,-0.25,0.5,0,-0.1,-0.041666667,-0.25,0.035714286,-0.05,-0.25,0.5,0,-0.1,-0.041666667,-0.25,0.035714286,-0.05,-0.25,0.5,0,-0.295255616,0.135489285,-0.33429512,0.020139427,0.138652208,-0.381874516,0.44771495,0,1.314669884,1.34337279,1.43410458,0.783048879,0.819983083,0.850037354,0.005142044,0,1.5,1.130952381,1.285714286,0.816326531,0.928571429,1.071428571,0,0,1.5,1.130952381,1.285714286,0.816326531,0.928571429,1.071428571,0,0,1.5,1.130952381,1.285714286,0.816326531,0.928571429,1.071428571,0,0,1.5,1.130952381,1.285714286,0.816326531,0.928571429,1.071428571,0,0,1.5,1.130952381,1.285714286,0.816326531,0.928571429,1.071428571,0,0,1.732378002,0.783953008,1.494481022,0.766847405,0.666924864,1.46398141,0,0,27.46996575,13.73498287,21.43647608,27.46996575,3.924280821,13.73498602,-1.78E-15,0.149979907,0.021425701,-1.328077764,22.32945086,3.189921552,2.174134532,27.46996575,13.73498287,21.43647608,27.46996575,3.924280821,13.73498602,-1.78E-15,0.149979907,0.021425701,-1.328077764,22.32945086,3.189921552,2.174134532,27.46996575,13.73498287,21.43647608,27.46996575,3.924280821,13.73498602,-1.78E-15,0.149979907,0.021425701,-1.328077764,22.32945086,3.189921552,2.174134532,27.46996575,13.73498287,21.43647608,27.46996575,3.924280821,13.73498602,-1.78E-15,0.149979907,0.021425701,-1.328077764,22.32945086,3.189921552,2.174134532,27.46996575,13.73498287,21.43647608,27.46996575,3.924280821,13.73498602,-1.78E-15,0.149979907,0.021425701,-1.328077764,22.32945086,3.189921552,2.174134532,27.46996575,13.73498287,21.43647608,27.46996575,3.924280821,13.73498602,-1.78E-15,0.149979907,0.021425701,-1.328077764,22.32945086,3.189921552,2.174134532,31.14295081,15.51274524,24.65470725,31.05905058,4.437007226,15.51274575,-0.117460317,0.225980976,0.032282997,-1.041113122,25.33635646,3.619479494,2.262568265,0,11.89,12.11009426,-0.173262199,0.049695005,5.170682588,7.535537531,6,20,19,19,5,1,1,0,0,1,15.304898,3.551708109,3.121012564,2.449816704,2.333552793,1.785646645,1.263120338,0.354660938,0.083923071,1.89134993,1.663300473,1.249629723,1.237218231,0.779837095,0.534644216,0.083923071,0.083923071,3.572450857,3.158467681,2.507764709,2.405454588,1.862613906,1.372451396,0.480308912,0.270913902,1.837564638,1.58646301,1.134540686,1.133192961,0.654022786,0.388244556,0.270913902,0.270913902,3.667432043,3.322322425,2.756181235,2.704236987,2.185361656,1.809140514,0.959218208,0.943918427,1.687130822,1.354751131,0.804115242,0.76031856,0.246263754,0.112197004,0.943918427,0.943918427,3.58793406,3.186036871,2.550194232,2.457539916,1.918586425,1.450684787,0.569017053,0.399277246,1.803979507,1.536999445,1.064920862,1.058262671,0.570740757,0.28942663,0.399277246,0.399277246,3.71591312,3.401211912,2.87199788,2.838982085,2.331794347,1.996434502,1.207644823,1.207644823,1.642782219,1.281002108,0.694469421,0.631337262,0.106310057,0.294665737,1.150770421,1.207644823,3.602435768,3.200142435,2.623310631,2.582900166,1.992454155,1.507816526,0.655608703,0.552631579,1.791535348,1.487296224,0.978868717,0.925005429,0.473312592,0.192860599,0.552631579,0.552631579,0,0,0,1,1,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.288675135,0,0,0,0.288675135,0.204124145,0.204124145,0.204124145,0.144337567,0.144337567,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,5.491563832,2.904030206,2.070149549,0.841260992,0.433012702,0.288675135,0,0,0.784509119,0.484005034,0.345024925,0.210315248,0.144337567,0.144337567,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,3,0,1,0,0,0,0,0,0,0,0,3,0,2,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.696157407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.759305556,0.870833333,0,0.288541667,0,0,0,0,0,0,0,0,6.463055556,0,2.507453704,0,2.263888889,0,0,0,0,1.432268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.432268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.225625,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.134583333,0,1.238425926,0,2.263888889,0,0,0,0,1.432268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.290277778,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.193888889,0,1.269027778,0,2.263888889,0,0,0,0,1.432268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.80952381,0.290277778,2.263888889,0.071597222,1.238425926,4.432571713,0.261574074,0.263888889,1.453888889,0.261574074,0.263888889,1.453888889,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.97598,0.85371,7.02591,1.04993,0.14999,2.67869,0.38267,3.27005,0.59135,0.08448,0.14395,0.02056,0.14395,0.02056,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.006330931,3.141619208,3.141619208,3.141619208,2.723303263,19.28421252,42.13294954,65.97400337,65.97400337,65.97400337,57.18936853,0.209068641,0.456781862,0.715253226,0.715253226,0.715253226,0.620015131,3.474021589,2.385986492,1.250698215,1.250698215,1.250698215,1.66901416,0.209068641,0.456781862,0.715253226,0.715253226,0.715253226,0.620015131,6.73287657,17.06886394,18.21303588,18.21303588,18.21303588,13.19324454,27.64912502,15.92879954,15.95461758,15.95461758,15.95461758,13.44472191,7,4.166666667,6,7,2,6,2.23,1.0519,0.814325285,3.639717277,1.889881575,0,2.381101578,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,3.184,6,4,3,2,0,0,0,0,0,28,2.079441542,2.302585093,2.079441542,1.945910149,1.609437912,0,0,0,0,0,3.713572067,1.428571429,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,0,126.9918924,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,98.10955045,4.671883355,12.67036528,1.810052182,0,0,0,52,4,3.405,24,1.211091709,2.095745587,2.957020586,3.653064715,4.661463461,5.776236379,6.519162723,0,0,0,73.44974185,74.6345705,74.56848369,69.59031166,85.17253059,40.16338728,6.623886553,0,0,0,276.3102126,324.3156655,382.1153501,373.4630752,484.0312066,438.2086384,202.639988,0,0,0,8.808215105,14.87760401,20.8703233,25.42137475,32.52760942,40.04169657,43.79876006,0,0,0,2.093846858,2.672333097,3.347373791,3.429176489,4.47575564,4.636580341,2.898503875,0,0,0,173.7339712,327.0996206,469.5264736,608.0829277,768.4878794,969.8149826,1205.508264,0,0,0,2.772839498,3.863499776,5.307312255,5.53301675,7.366396001,8.868318899,6.519162723,0,0,0,0.43411855,0.563384326,0.712891564,0.737739949,0.963073866,1.01695716,0.667562263,0,0,0,334.2420273,135.4498428,9.145751756,87.80463487,-35.58237152,-5.468064057,246.4373924,171.0322144,14.61381581,0.791955149,0.320935704,0.021670001,0.208044851,-0.084309094,-0.012956065,141.065732,57.16615406,3.859934002,37.05765307,-15.01742113,-2.307778184,0.141013664,0.210477418,1.918499309,1.939434675,422.0466622,0,1,0,395.1754262,19.87901975,7.338319957,535.3768935,23.13821284,8.119947248,605.2819414,24.60247836,8.459004169,1.891755231,1.891755231,536.4238962,474.6192846,77.70814889,1.130219343,6.90305848,6.107715746,4.162148766,4.514655392,7.783860637,0.724131736,5.716167611,5.019327418,2.168056311,15.98092153,7.907465987,5.913547104,4.241355204,8.812742756,6.590269363,2.553182212,3.730297468,2.147093815,5.641192771,0.002957629,0.018711892,1.07E-22,1.17E-64,2.48E-128,1.02E-213,8.004E-321,0,0,0,0,0,0,0,0,0,0,0.479723312,5.011393127,0.177233624,5.879465459,1.141036867,0.330308697,0.652621709,1.212689775,2.210337158,0.135618221,0.196586453,0.211924301,0.160304596,2.10E-05,1.32E-04,7.51E-25,8.25E-67,1.75E-130,7.15E-216,5.9E-323,0,0,0,0,0,0,0,0,0,0,1.54859323,5.011923442,0.575239459,6.738955211,1.79071253,1.175348736,1.271638883,1.996568696,2.838606432,0.334063303,0.71129122,0.600925557,0.723807538,2.18E-04,0.001373347,7.82E-24,8.60E-66,1.82E-129,7.45E-215,5.9E-322,0,0,0,0,0,0,0,0,0,0,5.395596243,5.018456348,2.043220837,14.93713674,7.234450717,5.467519179,3.981495951,8.075973185,6.228113043,2.300808387,3.440877627,2.026498657,5.109223004,0.002635324,0.016671959,9.50E-23,1.04E-64,2.21E-128,9.05E-214,7.134E-321,0,0,0,0,0,0,0,0,0,0,2.28233892,5.012610906,0.850941289,7.685995167,2.45389104,1.8429204,1.730281158,2.762549956,3.348805692,0.557890522,1.125964017,0.869746652,1.275503775,4.72E-04,0.002983093,1.70E-23,1.87E-65,3.96E-129,1.62E-214,1.275E-321,0,0,0,0,0,0,0,0,0,0,6.903099095,5.022990119,2.633625305,20.32857485,10.6931631,7.68332863,5.249095215,11.84893646,8.037923867,3.606115788,4.884875472,2.596016709,7.833873114,0.004312807,0.027289536,1.55E-22,1.71E-64,3.62E-128,1.48E-213,1.1675E-320,0,0,0,0,0,0,0,0,0,0,3.251972469,4.589430371,1.119923768,9.32588441,3.48262905,2.835112484,2.167422949,3.666741853,4.031015951,0.930033808,1.780771392,1.321410858,2.20180032,9.04E-04,0.005714643,3.26E-23,3.58E-65,7.58E-129,3.10E-214,2.446E-321,0,0,0,0,0,0,0,0,0,0,5.992576337,1.338422482,0.375715662,0.777578611,0.17366966,0.598863504,0.52613921,0.476170792,7.70671448,10.77496996,21.49514906,0.666367916,1.601173506,4.763280986,0.714305876,0.080998372,0.856923261,0.128504979,0.37893994,0.150686672,0.022130781,5.558585234,3.846115217,9.68029252,0.785384892,0.551757393,5.251472042,0.96222989,0.198050513,0.81903849,0.150072839,0.460288881,0.272818489,0.132311045,6.411752445,6.283750222,13.69627634,0.728557735,0.865418415,5.962138238,1.322975323,0.368419292,0.779004723,0.172858123,0.592813975,0.514129922,0.45785597,7.653532853,10.57173814,21.13127459,0.668507084,1.564799867,5.469099185,1.072719532,0.25022547,0.805221379,0.157937655,0.499095742,0.338738127,0.211206453,6.792044187,7.503739181,15.76380854,0.707832068,1.049040323,6.087871091,1.38678222,0.398558647,0.773238562,0.176139322,0.618001547,0.564624011,0.535831976,7.873211958,11.4216391,22.65970291,0.659857843,1.718457533,5.970746263,1.324628279,0.368440985,0.779082722,0.172841879,0.594473459,0.515227139,0.45790989,7.663815526,10.59693433,21.17475673,0.668624083,1.567610488 +UMLS0203,L,2-methyl-2-hexene,CCCC=C(C)C,17656,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C7H14,PubChem,,11.5,0,0.525,0.275625,35.3367,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1912.866323,1536.635695,716.597618,178.815168,18.289152,0,0,3885.475125,5223.921076,7983.759134,8343.0636,5761.955305,2402.602963,559.5073998,0,0,167.819552,174.20624,341.907212,472.656508,511.583816,307.120896,120.932352,0,0,29.42500648,40.12790896,64.52079401,74.29419331,58.99573411,28.03475758,8.003032287,0,0,3973.037281,3464.315612,7410.01833,10647.22523,12550.21632,7939.753089,3328.517736,0,0,37.83333333,45.77777778,75.47222222,104.3333333,101,57,18,0,0,48.76541633,56.15943233,39.85138173,22.93486112,9.683751595,3.9736704,1.016064,0,0,161.8947969,217.6633782,166.3283153,124.5233373,77.86426087,53.39117695,31.08374443,0,0,6.992481333,7.258593333,7.123066917,7.054574746,6.913294811,6.8249088,6.718464,0,0,1.226041937,1.671996207,1.344183209,1.108868557,0.79723965,0.622994613,0.444612905,0,0,165.54322,144.3464838,154.3753819,158.9138094,169.5975178,176.4389575,184.917652,0,0,1.576388889,1.907407407,1.572337963,1.55721393,1.364864865,1.266666667,1,0,0,0.031613547,-0.004458916,0.001436243,-0.019530593,-0.006205393,0.003291683,0.009660203,0,0,645.6853813,5.76E-13,40.35533633,-511.1675936,-215.2284604,121.066009,242.132018,0,0,1200.679538,-5.68E-14,75.04247115,-950.5379679,-400.2265128,225.1274134,450.2548269,0,0,0.126485333,2.94E-15,0.007905333,-0.100134222,-0.042161778,0.023716,0.047432,0,0,5.367596186,1.18E-14,0.335474762,-4.24934698,-1.789198729,1.006424285,2.01284857,0,0,29.15686767,-1.15E-13,1.822304229,-23.08252024,-9.718955891,5.466912688,10.93382538,0,0,2.791666667,-1.347222222,0.555555556,-0.842013889,0.003472222,-0.546875,0.78125,0,0,0.001317231,-1.86E-04,2.99E-05,-2.92E-04,-8.39E-05,7.31E-05,5.37E-04,0,0,26.90355756,2.40E-14,0.840736174,-7.629367068,-2.908492709,2.690355756,13.45177878,0,0,50.0283141,-2.37E-15,1.563384816,-14.18713385,-5.408466389,5.00283141,25.01415705,0,0,0.005270222,1.22E-16,1.65E-04,-0.001494541,-5.70E-04,5.27E-04,0.002635111,0,0,0.223649841,4.93E-16,0.006989058,-0.063423089,-0.024178361,0.022364984,0.111824921,0,0,1.214869486,-4.81E-15,0.037964671,-0.344515227,-0.131337242,0.121486949,0.607434743,0,0,0.116319444,-0.056134259,0.011574074,-0.012567371,4.69E-05,-0.012152778,0.043402778,0,0,-0.141044462,0.022715624,-0.221298593,-0.063661312,0.055532024,0.407428825,0,0,8.91E-16,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,-4.73E-17,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,2.32E-14,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,2.20E-15,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,-3.96E-15,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,-0.482587065,0.099502488,-0.10804188,4.03E-04,-0.104477612,0.373134328,0,0,1.579552337,1.033206363,1.301947932,0.935283409,0.71234121,1.65E-08,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,2.021558872,0.691334992,1.127199822,0.9370714,1.098507463,0,0,0,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,1.78E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,1.78E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,1.78E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,1.78E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,1.78E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,1.78E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,37.20496431,18.47227382,26.04610392,37.00965181,4.626206476,18.47227385,-0.260416667,0.005144078,6.43E-04,-4.215927241,28.64086191,3.580107739,2.683867549,0,11.89,12.11011416,-0.161880726,0.059276977,5.973360367,8.397172559,8,24,24,24,8,0,0,0,0,0,17.491312,3.709959766,2.974675559,2.789753075,2.259537733,2.158317772,1.617870431,0.918016251,0.809020034,1.845648904,1.813613019,1.410733491,1.157249124,1.096183233,0.563489532,0.402453794,0.276394959,3.731262013,3.013413722,2.836186318,2.330024954,2.225457131,1.699767002,1.045547554,0.94155887,1.787821245,1.752615835,1.310905386,1.043257925,0.981528758,0.42111061,0.249176885,0.109489703,3.825638152,3.185923174,3.040102369,2.62464957,2.50910004,2.040789505,1.545899363,1.459674177,1.621444011,1.575108587,0.997363948,0.673418052,0.610271012,0.054593717,0.26888121,0.473701747,3.746988301,3.042112654,2.870443191,2.38119944,2.2743801,1.759183913,1.136224802,1.035689916,1.751312057,1.713926185,1.245574763,0.967752621,0.905628807,0.325740607,0.146064012,0.003994699,3.872123288,3.270309035,3.138028166,2.758192334,2.639170421,2.194280813,1.75665822,1.676939727,1.570816098,1.5204722,0.893609066,0.546446869,0.483241901,0.222854153,0.454365585,0.692822975,3.713827145,3.143134573,3.000480537,2.547995964,2.352058575,1.828505304,1.260306994,1.164918264,1.742149051,1.699539474,1.059598102,0.791295033,0.753238401,0.201557105,0.011910874,0.171137606,0,0,0,0,0,3,2,3,0,0,0,0.096225045,0.288675135,0.288675135,0,0,0.096225045,0.288675135,0.288675135,0.760079655,0,0.166666667,0,0.760079655,0,0.166666667,0,1.410236714,1.743689791,1.619316155,1.410236714,1.743689791,1.619316155,6.14626437,3.698377303,3.531144005,2.519712423,1.830194132,0.849515796,0.096225045,0,0.768283046,0.462297163,0.321013091,0.209976035,0.140784164,0.106189475,0.096225045,0,6.14626437,3.698377303,3.531144005,2.519712423,1.830194132,0.849515796,0.096225045,0,0.768283046,0.462297163,0.321013091,0.209976035,0.140784164,0.106189475,0.096225045,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.6885,36.726,27.25514403,36.68482962,54.51028806,6.813786007,27.25514403,3.33E-16,4.16E-17,-28.51055062,3000014.366,375001.7957,11.93130211,51,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,7.099537037,0,2.918981481,0,0,0,2.981481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.361111111,0,1.459490741,0,0,0,0.990740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.369212963,0,1.459490741,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13,1.625,0.2,2.369212963,0.2,0.990740741,5.741078704,0.342592593,0.369212963,2.199074074,0.342592593,0.369212963,2.199074074,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.375,0.375,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.75603,1.0945,8.75603,0,0,3.69836,0.46229,3.69836,0,0,0.21564,0.02696,0.30164,0.03771,0.208333333,8,0,0,0,0,0,0,1,0.918295834,1.438721876,2.5,2.729573959,2.677694271,2.344360938,22.03910002,34.52932501,60,65.509775,64.26466251,56.26466251,0.200284263,0.313791416,0.54526073,0.595331796,0.584016613,0.511315182,3.666666667,3.146240625,2.084962501,1.855388542,1.90726823,2.240601563,0.200284263,0.313791416,0.54526073,0.595331796,0.584016613,0.511315182,6.73287657,12.97798907,15.30933029,16.80245923,12.3946273,16.41423191,31.59900002,23.32456251,22.69022552,20.3349625,26.92932344,20.36340886,6.125,2.082644628,1.25,0,0,0,2.34,1.1272,0.825481812,2.620741394,4.734706513,0,0.5,4.762203156,0,1.889881575,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.124,0.16,0.203,3.438,11,12,13,8,1,0,0,0,0,61,2.197224577,2.48490665,2.564949357,2.63905733,2.197224577,0.693147181,0,0,0,0,4.127134385,1,0.25,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.375,0,3,4,0.333333333,2.5,1.111111111,0.916666667,0,0,0,0,0,0,0,0.3125,0.101010101,0.130952381,0,0,0,0,0,0,0,0.544462482,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,0,134.567877,4,3.663561646,4.442651256,5.283203729,6.084499413,6.922643891,7.732369222,8.566554621,9.380842352,10.21181748,78.28814361,2.833213344,0,4.110873864,2.397895273,5.549076085,4.727387819,7.053585727,6.741700695,8.593598523,8.969669104,112.1252005,4.671883355,15.32137541,1.915171927,0,0,0,59,7,4.369,38,1.331436567,2.358322804,3.280080998,4.00340916,4.799984976,5.619328694,0,0,0,0,94.01800751,110.9041004,85.50094101,44.06872821,20.61558757,5.70959759,0,0,0,0,334.770918,438.8259865,438.4260969,333.1830299,267.90744,174.669777,0,0,0,0,9.725938808,16.89693793,23.21009852,27.75087342,32.81495763,37.75325754,0,0,0,0,2.47012952,3.448890272,3.822102873,3.341918314,3.083368986,2.498426054,0,0,0,0,188.3541604,357.0920356,516.1407297,673.2619007,842.4837452,1039.113068,0,0,0,0,2.586701911,3.87763844,5.246144477,5.609323417,6.219014962,5.619328694,0,0,0,0,0.509638069,0.720684386,0.812995007,0.728255121,0.686776988,0.575419258,0,0,0,0,332.5386296,134.8295633,8.315369446,36.35464109,-14.74018338,-2.096833848,296.1839885,149.5697466,10.41220329,0.901449433,0.365497487,0.022541396,0.098550567,-0.039957854,-0.005684121,122.6712627,49.73771857,3.067483832,13.41098245,-5.437554456,-0.773507896,0.07369617,0.153662443,0.859173496,1.502900229,368.8932707,0,1,0,402.4237007,20.06050101,7.38291469,557.416278,23.60966493,8.229874559,681.5253388,26.10604027,8.800229586,1.147602239,1.09631797,486.1121957,393.3032997,217.6161659,1.235972838,2.233805535,1.807325748,4.406842126,3.964631517,7.232820171,0.824336042,4.462408855,4.441365945,2.8488998,11.92055896,14.22342148,8.400480465,9.460871831,9.98700655,5.738408828,7.601061573,2.741632412,0.846873884,0.004424831,7.94E-04,2.75E-26,1.83E-70,2.36E-136,5.86E-224,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,4.441098491,0.752159305,3.925034848,1.514589699,3.148635846,0.402904979,0.508400938,0.788052458,0.324553431,0.029209755,0.005980492,3.12E-05,5.59E-06,1.94E-28,1.29E-72,1.66E-138,4.13E-226,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,4.441116993,1.028085104,4.977492577,3.264153374,3.923593942,1.464765901,1.687708671,1.350857927,1.254173586,0.226655871,0.062196575,3.25E-04,5.83E-05,2.02E-27,1.35E-71,1.73E-137,4.30E-225,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,4.441336804,2.666743772,11.22603571,13.14661154,7.973877956,8.627912695,9.139470105,5.276981519,6.959021218,2.449562004,0.754560325,0.003942445,7.07E-04,2.45E-26,1.63E-70,2.10E-136,5.22E-224,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,4.44114041,1.262650356,5.872066815,4.715947225,4.543780265,2.427395498,2.721583441,1.870128075,2.05731869,0.467964693,0.135060172,7.05E-04,1.27E-04,4.38E-27,2.92E-71,3.76E-137,9.35E-225,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,4.441488339,3.584421853,14.72487689,18.54961123,10.09931746,12.86108877,13.42850959,7.626683751,10.20144728,3.96612146,1.235034142,0.0064532,0.001157883,4.01E-26,2.67E-70,3.44E-136,8.55E-224,0,0,0,0,0,0,0,0,0,0,0,0,2.957336046,4.08214555,1.444115354,7.239517968,7.71423816,5.624936709,4.607457334,4.607895015,3.553642614,4.076699998,1.087018147,0.320787906,0.001675676,3.01E-04,1.04E-26,6.95E-71,8.94E-137,2.22E-224,0,0,0,0,0,0,0,0,0,0,0,0,3.766643198,2.00113878,1.098754395,0.54855068,0.291433508,0.525790248,0.508395372,0.481672466,6.866536373,13.87495157,29.02343245,0.32282602,1.515858086,2.95103871,1.385439963,0.563361683,0.60227242,0.282752062,0.319356509,0.236375124,0.128229084,4.899840356,6.531492884,13.73463013,0.40340863,0.683960717,3.274459426,1.630201015,0.776287736,0.576393117,0.286959318,0.394862431,0.331783922,0.242419335,5.680948177,9.14545483,18.97024797,0.364589675,0.969065688,3.746403149,1.9859162,1.085527173,0.549499484,0.291282034,0.520022779,0.500388165,0.47031854,6.817846521,13.66263112,28.55684616,0.324249227,1.490729484,3.418849765,1.739197665,0.871072653,0.567056174,0.288466251,0.431261222,0.379673948,0.304550457,6.029120083,10.43908959,21.64765603,0.350584261,1.115485627,3.830023136,2.048791229,1.140156935,0.545667303,0.291893376,0.544063961,0.533880616,0.518050575,7.018971301,14.54968878,30.51537784,0.318500954,1.595995151,3.761859357,1.991933456,1.087831177,0.54984889,0.291149215,0.524440735,0.503644191,0.471517453,6.84162399,13.75252872,28.74567804,0.324773335,1.49960238 +UMLS0204,L,"1,2,4-trimethylcyclopentane",CC1CC(C(C1)C)C,17779, (cis)(cis)(trans) reported,UML,[1],C8H16,PubChem,,9.7,0,1.3988,1.95664144,39.1434,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,2227.640869,1967.400801,1205.016461,357.373296,36.578304,0,0,4371.159516,5876.91121,9122.433659,10473.68557,7967.307003,4030.400975,1119.0148,0,0,188.796996,195.98202,384.660436,552.993732,683.209076,393.729984,241.864704,0,0,33.10313229,45.14389758,73.21490844,91.90068631,79.15071224,43.40408352,16.00606457,0,0,4469.666941,3897.355064,8339.687441,12183.53156,16903.40242,9681.838349,6657.035473,0,0,42.34027778,51.25,86.125,126.875,129.9166667,79.5,36,0,0,48.76541633,56.15943233,41.25260869,25.22308719,12.17188344,6.269706947,1.016064,0,0,161.8947969,217.6633782,168.9339566,134.2780201,80.47784852,70.70878903,31.08374443,0,0,6.992481333,7.258593333,7.123341407,7.089663231,6.901101778,6.907543579,6.718464,0,0,1.226041937,1.671996207,1.355831638,1.178213927,0.799502144,0.761475149,0.444612905,0,0,165.54322,144.3464838,154.4386563,156.1991226,170.7414386,169.8568131,184.917652,0,0,1.568158436,1.898148148,1.594907407,1.626602564,1.312289562,1.394736842,1,0,0,0.035371514,-0.005246614,0.009031819,-0.036160978,0.010991017,-0.017456144,0.021155143,0,0,726.396054,6.89E-13,121.066009,-766.7513903,121.066009,-322.8426907,484.264036,0,0,1350.764481,-6.39E-13,225.1274134,-1425.806952,225.1274134,-600.3397692,900.5096538,0,0,0.142296,2.05E-15,0.023716,-0.150201333,0.023716,-0.063242667,0.094864,0,0,6.038545709,1.66E-14,1.006424285,-6.374020471,1.006424285,-2.683798093,4.025697139,0,0,32.80147613,-1.98E-13,5.466912688,-34.62378036,5.466912688,-14.57843384,21.86765075,0,0,3.019032922,-1.547067901,1.850823045,-3.201331733,2.063957476,-2.215334934,1.539437586,0,0,0.001310056,-1.94E-04,1.67E-04,-4.64E-04,1.11E-04,-3.06E-04,5.88E-04,0,0,26.90355756,2.55E-14,2.24196313,-9.83014603,1.22288898,-5.663906854,13.45177878,0,0,50.0283141,-2.37E-14,4.169026175,-18.2795763,2.274014277,-10.53227665,25.01415705,0,0,0.005270222,7.59E-17,4.39E-04,-0.001925658,2.40E-04,-0.00110952,0.002635111,0,0,0.223649841,6.15E-16,0.018637487,-0.081718211,0.010165902,-0.047084177,0.111824921,0,0,1.214869486,-7.34E-15,0.101239124,-0.44389462,0.05522134,-0.255761997,0.607434743,0,0,0.111816034,-0.057298811,0.034274501,-0.041042715,0.020848055,-0.038865525,0.042762155,0,0,-0.148328782,0.127670798,-0.353879718,0.084744747,-0.233767198,0.448563121,0,0,9.49E-16,0.083333333,-0.365384615,0.045454545,-0.210526316,0.5,0,0,-4.73E-16,0.083333333,-0.365384615,0.045454545,-0.210526316,0.5,0,0,1.44E-14,0.083333333,-0.365384615,0.045454545,-0.210526316,0.5,0,0,2.75E-15,0.083333333,-0.365384615,0.045454545,-0.210526316,0.5,0,0,-6.04E-15,0.083333333,-0.365384615,0.045454545,-0.210526316,0.5,0,0,-0.512438235,0.306525814,-0.367055716,0.186449604,-0.347584543,0.382433123,0,0,1.594163625,0.946088537,1.512466344,0.733860973,1.160776151,0.002220816,0,0,1.444444444,1.12345679,1.5,0.765993266,1.026315789,0,0,0,1.444444444,1.12345679,1.5,0.765993266,1.026315789,0,0,0,1.444444444,1.12345679,1.5,0.765993266,1.026315789,0,0,0,1.444444444,1.12345679,1.5,0.765993266,1.026315789,0,0,0,1.444444444,1.12345679,1.5,0.765993266,1.026315789,0,0,0,2.051116033,0.518316579,1.570667916,0.585069471,1.529768364,0,0,0,37.26579663,18.63289832,26.56578181,37.26579663,4.14064407,18.63289835,1.78E-14,0.040935541,0.004548393,-2.876180948,151.3799242,16.81999158,4.517813458,37.26579663,18.63289832,26.56578181,37.26579663,4.14064407,18.63289835,1.78E-14,0.040935541,0.004548393,-2.876180948,151.3799242,16.81999158,4.517813458,37.26579663,18.63289832,26.56578181,37.26579663,4.14064407,18.63289835,1.78E-14,0.040935541,0.004548393,-2.876180948,151.3799242,16.81999158,4.517813458,37.26579663,18.63289832,26.56578181,37.26579663,4.14064407,18.63289835,1.78E-14,0.040935541,0.004548393,-2.876180948,151.3799242,16.81999158,4.517813458,37.26579663,18.63289832,26.56578181,37.26579663,4.14064407,18.63289835,1.78E-14,0.040935541,0.004548393,-2.876180948,151.3799242,16.81999158,4.517813458,37.26579663,18.63289832,26.56578181,37.26579663,4.14064407,18.63289835,1.78E-14,0.040935541,0.004548393,-2.876180948,151.3799242,16.81999158,4.517813458,45.6862744,22.71157856,32.8792114,45.48162762,5.053514181,22.71157856,-0.263117284,0.031306351,0.003478483,-3.117540876,79.93027067,8.881141185,3.943039174,0,11.89,12.11013444,-0.157935343,0.063628452,6.154742701,9.387512086,9,27,27,27,9,0,0,0,0,0,19.677726,3.702327045,3.134560525,2.872109862,2.333552793,2.213904169,2.138505448,1.363659738,0.985053997,2.027975054,1.637336379,1.473290534,1.249629723,1.107110848,1.03149125,0.615895756,0.369439726,3.723573504,3.167277911,2.913066305,2.405454588,2.282930296,2.206258737,1.467869728,1.103775667,1.978762806,1.562833771,1.387819799,1.134540686,0.993793989,0.916700275,0.468261143,0.210799996,3.818092444,3.314239162,3.093860946,2.704236987,2.572298149,2.49301214,1.891746139,1.580378256,1.837193559,1.344032908,1.129862915,0.76031856,0.626976964,0.547624056,0.030782394,0.333757852,3.739281482,3.191571739,2.943316569,2.457539916,2.333098509,2.255671592,1.542948602,1.18898894,1.947715903,1.51533537,1.332737018,1.058262671,0.918800914,0.840909783,0.368977381,0.103539872,3.864835177,3.387099801,3.181518911,2.838982085,2.703823838,2.624573297,2.076682744,1.784720468,1.793964323,1.276605555,1.048070909,0.631337262,0.501372766,0.422359982,0.210009301,0.532992355,3.717767761,3.263168154,2.989369958,2.685036975,2.457380692,2.341000077,1.648681261,1.301797042,1.95698056,1.429116296,1.262112906,0.833608404,0.76467288,0.718377056,0.224963135,0.047485937,0,0,0,0,0,3,4,1,1,0,0,0,0.072168784,0.216506351,0,0,0,0.072168784,0.216506351,1.495781916,0.25,0,0,1.495781916,0.25,0,0,1.444814383,2.430412943,2.198259192,1.444814383,2.430412943,2.198259192,6.905777394,4.100953631,4.365737948,2.451524386,2.076524386,1.045385138,0.637136847,0,0.767308599,0.455661515,0.335825996,0.204293699,0.14832317,0.087115428,0.079642106,0,6.905777394,4.100953631,4.365737948,2.451524386,2.076524386,1.045385138,0.637136847,0,0.767308599,0.455661515,0.335825996,0.204293699,0.14832317,0.087115428,0.079642106,0,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.2227,41.413,35.38050655,47.99921715,70.7610131,7.862334788,35.38050655,0.102065305,0.011340589,-2.05392818,36.32784657,4.036427397,3.233326113,61,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,4,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,7.158958333,0,5.793587963,0,0,0,0.980324074,0,0,0,0,0,0.650462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.375902778,0,1.4375,0,0,0,0.980324074,0,0,0,0,0,0.650462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.391527778,0,1.461736111,0,0,0,0.980324074,0,0,0,0,0,0.650462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.58333333,1.62037037,0.2,2.391527778,0,0.650462963,6.461180556,0.599537037,0.391527778,2.317916667,0.599537037,0.391527778,2.317916667,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.33333,0.11111,0.11111,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,10.70711,1.18968,10.70711,0,0,4.10095,0.45566,4.10095,0,0,0.31305,0.03478,0.39905,0.04434,0.222222222,9,0,0,0,0,0,0,1,0.918295834,1.50253426,2.735282872,3.531941206,3.319521298,3.380094336,24.79398752,40.56842503,73.85263755,95.36241255,89.62707506,91.26254708,0.193126721,0.315997857,0.575257116,0.742802265,0.698128252,0.710867362,3.836591668,3.252353242,2.01960463,1.222946297,1.435366204,1.374793166,0.193126721,0.315997857,0.575257116,0.742802265,0.698128252,0.710867362,6.73287657,13.74373769,19.36463649,19.04596554,19.13921142,19.20025844,35.54887502,25.26783891,19.82489723,19.03080047,19.01988474,18.94948326,7.111111111,2.319526627,2,0,0,0,2.45,1.2681,0.944940787,4.559014114,1.44224957,2.080083823,3.532775529,2.555772417,2.555772417,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.14,0.131,0.159,0.212,3.981,13,12,14,12,8,0,0,0,0,77,2.302585093,2.63905733,2.564949357,2.708050201,2.564949357,2.197224577,0,0,0,0,4.356708827,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,1,3,4,0.333333333,3.5,1.111111111,0.8125,0.333333333,0,0,0,0,0,0,0.388888889,0.085470085,0.090277778,0.066666667,0,0,0,0,0,0,0.631303419,18.63289832,26.56578181,37.26579663,4.14064407,18.63289835,0.040935541,0.004548393,-2.876180948,151.3799242,16.81999158,4.517813458,0,151.8638616,4.169925001,3.80666249,4.553876892,5.433722004,6.196444128,7.079184395,7.845807503,8.728911725,9.496646498,10.37975279,81.52100842,2.944438979,0,4.262679877,0,5.765191103,0,7.351799869,0,8.974491448,9.197457746,126.1408506,4.671883355,17.31070842,1.923412046,0,0,0,82,9,5.036,44,1.22699952,2.101172724,2.851153273,3.449092637,4.39090722,5.081642749,0,0,0,0,78.95148878,96.11301604,78.01325728,48.23866431,28.74304707,5.163274258,0,0,0,0,290.5400635,380.8358273,400.1141246,300.4316669,319.6272625,157.9564845,0,0,0,0,8.938429587,15.02170656,20.25224155,23.87444522,30.3740515,34.14083387,0,0,0,0,2.17886504,3.003514014,3.464195772,2.912249233,3.416747076,2.259363944,0,0,0,0,175.1121323,320.6583748,442.5861585,583.4356665,742.3471584,939.6854456,0,0,0,0,2.370754847,3.459590849,4.702065642,4.680269642,6.235653407,5.081642749,0,0,0,0,0.45089223,0.628172265,0.735586555,0.632159016,0.750876895,0.520360218,0,0,0,0,341.2768386,155.5926799,8.543052892,85.28874276,-38.88427972,-4.639090627,255.9880959,194.4769597,13.18214352,0.800057139,0.364756761,0.020027525,0.199942861,-0.091156627,-0.010875445,145.5769531,66.37048198,3.644172324,36.38124214,-16.58669538,-1.97887639,0.065428557,0.136863314,1.107271469,1.136299994,426.5655814,0,1,0,620.8036052,24.91593075,8.530701456,795.1702547,28.19876335,9.264458536,1127.442018,33.57740339,10.40793901,1.43477219,1.43477219,424.0808255,358.6093695,200.2281206,1.1825704,2.117988343,1.791004023,3.944190756,3.780722771,6.119384403,0.618575276,5.020831515,7.435097347,10.32718377,12.81759536,23.63518532,10.04274865,12.9221206,11.02192452,8.520228211,2.913577728,2.880681944,5.11E-07,2.09E-34,1.66E-83,2.53E-154,7.43E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.4219314,6.525995987,0.653282881,5.42740303,1.62196732,2.533935239,2.068340722,0.510141481,0.248409475,0.059446752,0.020288878,3.60E-09,1.48E-36,1.17E-85,1.78E-156,5.23E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.36066474,6.586744756,2.207653281,6.399880166,4.779966402,3.672321376,3.277620945,1.66240059,1.109371546,0.31384902,0.211425757,3.75E-08,1.54E-35,1.22E-84,1.85E-155,5.45E-248,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.739290068,7.335286269,9.5862737,12.17554743,21.81514292,9.443566142,11.90169704,10.02696164,7.721093966,2.622748288,2.56663575,4.55E-07,1.87E-34,1.48E-83,2.25E-154,6.62E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.005075814,6.665507989,3.39946937,7.226610273,7.344332176,4.570870362,4.406517786,2.748357281,1.946094664,0.58593363,0.459244995,8.15E-08,3.34E-35,2.64E-84,4.03E-155,1.18E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.063252857,7.854789284,13.23925616,15.41011554,30.91036804,12.41964166,17.10445892,15.10485689,11.81144626,4.122212875,4.201203885,7.45E-07,3.06E-34,2.42E-83,3.68E-154,1.08E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.328795837,6.042917589,5.494572983,9.470744773,12.21197326,6.199259332,7.062468505,5.491745353,4.097918346,1.30252193,1.097151811,1.95E-07,7.98E-35,6.31E-84,9.62E-155,2.83E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.116506289,1.589860268,1.08648616,0.537991632,0.274452044,0.549593667,0.483751445,0.472641468,5.792852716,10.06821165,21.24439634,0.306987448,1.50598658,2.308814054,1.05581273,0.535231275,0.59202515,0.270731066,0.302502323,0.213609786,0.115850744,3.89985806,4.238528755,9.443106858,0.388037726,0.631962853,2.629514778,1.267894814,0.754284501,0.565281105,0.27256625,0.391868909,0.307898939,0.229191237,4.651694093,6.273703799,13.44014331,0.347921658,0.928959085,3.09650187,1.576636147,1.072849485,0.538898121,0.274389067,0.542591754,0.475752865,0.460968076,5.745987502,9.895630492,20.87933009,0.308347182,1.479312695,2.772504063,1.362438306,0.851875989,0.555966523,0.273207927,0.435426074,0.355449821,0.291817714,4.986818358,7.299823859,15.50448939,0.333949784,1.082693609,3.179137104,1.631262408,1.129175677,0.535246546,0.274642943,0.571805341,0.509222862,0.510107975,5.939575189,10.61779297,22.41328096,0.302869819,1.591136179,3.109938526,1.578159769,1.077831499,0.539364619,0.273704298,0.547210598,0.476664351,0.465036709,5.765929794,9.960959877,21.01686496,0.309046928,1.488911659 +UMLS0205,L,"1,1,3-Trimethylcyclohexane",CC1CCCC(C1)(C)C,18309,Sandia value from co-optima databse because UML has reliable source and Ron values match with sandia's we should just use UML sensitivity ,"Sandia, UML",[1],C9H18,PubChem,,-1.3,0,0.8973,0.80514729,39.568,30.93586,0,0,30,10,20,0,10,0,0,0,0,0,0,0,0,0,1462.96249,1684.78297,2421.349406,2285.223539,1611.567391,866.958123,218.184624,18.289152,0,4856.843906,6529.901345,10035.98077,11705.61132,9868.455737,6371.974673,2840.064045,559.5073998,0,209.77444,217.7578,427.389944,615.902348,749.311036,559.435116,348.629184,120.932352,0,36.7812581,50.1598862,80.90259859,101.9286395,94.53011662,64.45231154,32.70922922,8.003032287,0,4966.296601,4330.394515,9263.88964,13667.95363,18133.46365,13786.51659,8953.873689,3328.517736,0,46.59027778,56.5,95.58333333,139.5833333,148.0416667,108.5,61.5,18,0,48.76541633,56.15943233,40.35582343,26.26693723,14.92192029,10.7031867,4.278129882,1.016064,0,161.8947969,217.6633782,167.2663462,134.5472566,91.37459016,78.66635399,55.6875303,31.08374443,0,6.992481333,7.258593333,7.123165733,7.079337333,6.938065148,6.90660637,6.835866353,6.718464,0,1.226041937,1.671996207,1.348376643,1.171593557,0.875278858,0.79570755,0.641357436,0.444612905,0,165.54322,144.3464838,154.3981607,157.1029153,167.9024412,170.2039085,175.5661508,184.917652,0,1.553009259,1.883333333,1.593055556,1.60440613,1.370756173,1.339506173,1.205882353,1,0,0.039591661,-0.005542657,0.006021164,-0.027834067,-0.001659222,-0.003713908,0.001711852,0.011221008,0,807.1067267,-5.90E-13,80.71067267,-645.6853813,-80.71067267,-80.71067267,80.71067267,242.132018,0,1500.849423,5.26E-13,150.0849423,-1200.679538,-150.0849423,-150.0849423,150.0849423,450.2548269,0,0.158106667,3.66E-15,0.015810667,-0.126485333,-0.015810667,-0.015810667,0.015810667,0.047432,0,6.709495232,1.85E-14,0.670949523,-5.367596186,-0.670949523,-0.670949523,0.670949523,2.01284857,0,36.44608459,-3.02E-13,3.644608459,-29.15686767,-3.644608459,-3.644608459,3.644608459,10.93382538,0,3.190046296,-1.534027778,1.96712963,-2.374513889,0.079953704,-0.441597222,-0.032106481,0.740138889,0,0.001319722,-1.85E-04,1.00E-04,-3.20E-04,-1.54E-05,-4.59E-05,3.36E-05,6.23E-04,0,26.90355756,-1.97E-14,1.345177878,-7.42167105,-0.747321043,-0.996428058,1.582562209,13.45177878,0,50.0283141,1.75E-14,2.501415705,-13.80091423,-1.389675392,-1.852900522,2.942842006,25.01415705,0,0.005270222,1.22E-16,2.64E-04,-0.001453854,-1.46E-04,-1.95E-04,3.10E-04,0.002635111,0,0.223649841,6.16E-16,0.011182492,-0.061696508,-0.006212496,-0.008283327,0.013155873,0.111824921,0,1.214869486,-1.01E-14,0.060743474,-0.33513641,-0.033746375,-0.044995166,0.071462911,0.607434743,0,0.106334877,-0.051134259,0.032785494,-0.027293263,7.40E-04,-0.005451818,-6.30E-04,0.041118827,0,-0.139995568,0.076040814,-0.242423629,-0.011641214,-0.034742706,0.02543393,0.472364097,0,-7.31E-16,0.05,-0.275862069,-0.027777778,-0.037037037,0.058823529,0.5,0,3.50E-16,0.05,-0.275862069,-0.027777778,-0.037037037,0.058823529,0.5,0,2.32E-14,0.05,-0.275862069,-0.027777778,-0.037037037,0.058823529,0.5,0,2.76E-15,0.05,-0.275862069,-0.027777778,-0.037037037,0.058823529,0.5,0,-8.29E-15,0.05,-0.275862069,-0.027777778,-0.037037037,0.058823529,0.5,0,-0.480879472,0.308323053,-0.25667273,0.006962081,-0.051270267,-0.005920342,0.386691822,0,1.592376473,1.010287865,1.369226645,0.902900783,0.914858428,0.702183855,0.003362329,0,1.45,1.16,1.4,0.90625,0.859259259,0.639705882,0,0,1.45,1.16,1.4,0.90625,0.859259259,0.639705882,0,0,1.45,1.16,1.4,0.90625,0.859259259,0.639705882,0,0,1.45,1.16,1.4,0.90625,0.859259259,0.639705882,0,0,1.45,1.16,1.4,0.90625,0.859259259,0.639705882,0,0,2.024381395,0.536608374,1.507147522,0.874765176,0.975013908,0.735283447,0,0,46.75454929,23.37727465,34.54807559,46.75454929,4.675454929,23.37727465,-7.11E-15,0.032427167,0.003242717,-3.428758735,56.28586604,5.628586604,4.030443456,46.75454929,23.37727465,34.54807559,46.75454929,4.675454929,23.37727465,-7.11E-15,0.032427167,0.003242717,-3.428758735,56.28586604,5.628586604,4.030443456,46.75454929,23.37727465,34.54807559,46.75454929,4.675454929,23.37727465,-7.11E-15,0.032427167,0.003242717,-3.428758735,56.28586604,5.628586604,4.030443456,46.75454929,23.37727465,34.54807559,46.75454929,4.675454929,23.37727465,-7.11E-15,0.032427167,0.003242717,-3.428758735,56.28586604,5.628586604,4.030443456,46.75454929,23.37727465,34.54807559,46.75454929,4.675454929,23.37727465,-7.11E-15,0.032427167,0.003242717,-3.428758735,56.28586604,5.628586604,4.030443456,46.75454929,23.37727465,34.54807559,46.75454929,4.675454929,23.37727465,-7.11E-15,0.032427167,0.003242717,-3.428758735,56.28586604,5.628586604,4.030443456,58.38107682,28.98180038,43.82664094,58.22116015,5.822116015,28.98180038,-0.266527778,0.019442213,0.001944221,-3.940308655,66.88663106,6.688663106,4.202999112,0,11.9,12.10017173,-0.151272548,0.048925288,6.7401875,9.697515466,10,30,30,30,10,0,0,0,0,0,21.86414,3.699883729,3.305544835,2.750129472,2.609847324,2.333552793,2.333552793,1.456797487,1.414677185,2.026690222,1.763079672,1.372874417,1.258535837,1.249629723,1.249629723,0.666206401,0.596694874,3.721112863,3.335935477,2.792995694,2.65422722,2.405454588,2.405454588,1.556142907,1.507653653,1.977201716,1.69575075,1.285229005,1.167279261,1.134540686,1.134540686,0.522081792,0.451765332,3.815779896,3.47075498,2.981537655,2.850423472,2.704236987,2.704236987,1.9628467,1.897569043,1.834946156,1.49784449,1.018928274,0.889438056,0.76031856,0.76031856,0.037619229,0.029338073,3.736821497,3.358397381,2.824624264,2.687042256,2.457539916,2.457539916,1.62787375,1.575377386,1.94598469,1.652853316,1.228596505,1.10824622,1.058262671,1.058262671,0.425347018,0.354859494,3.862697486,3.536909776,3.072480534,2.945335426,2.838982085,2.838982085,2.141548494,2.072855649,1.791584114,1.436442398,0.933903671,0.80075203,0.631337262,0.631337262,0.135164289,0.197637851,3.720348292,3.412472262,2.83592018,2.706255548,2.692371696,2.692371696,1.73278488,1.661019947,1.954326924,1.574916332,1.178380734,1.043949962,0.827086722,0.827086722,0.281516034,0.220324498,0,0,0,0,0,3,5,1,1,0,0,0,0.102062073,0.051031036,0,0,0,0.102062073,0.051031036,1.510362971,0.288675135,0.433012702,0.144337567,1.510362971,0.288675135,0.433012702,0.144337567,1.861881719,2.103152481,2.150556853,1.861881719,2.103152481,2.150556853,7.612884175,4.605171716,4.70095927,2.829916587,1.968614081,1.369082439,0.535074775,0.306186218,0.761288418,0.460517172,0.335782805,0.202136899,0.140615291,0.097791603,0.066884347,0.051031036,7.612884175,4.605171716,4.70095927,2.829916587,1.968614081,1.369082439,0.535074775,0.306186218,0.761288418,0.460517172,0.335782805,0.202136899,0.140615291,0.097791603,0.066884347,0.051031036,15.41827804,28.87836854,27.25490196,27.6,17.98554491,230.2825509,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.6128,46.03,40.42054828,58.46993254,80.84109655,8.084109655,40.42054828,0.278590457,0.027859046,-1.278012472,37.98302013,3.798302013,3.637139221,78,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,3,0,5,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,7.133888889,0,7.378425926,0,0,0,1.001157407,0,0,0,0,0,0.569861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.377962963,0,1.474143519,0,0,0,1.001157407,0,0,0,0,0,0.569861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.377962963,0,1.47875,0,0,0,1.001157407,0,0,0,0,0,0.569861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.08333333,1.608333333,0.2,2.377962963,0,0.569861111,7.203349167,0.680138889,0.377962963,2.267777778,0.680138889,0.377962963,2.267777778,5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.3,0.1,0.1,5,0.5,5,0.5,0,0,-5,-0.5,0,0,12.42563,1.24256,12.42563,0,0,4.60517,0.46052,4.60517,0,0,0.30883,0.03088,0.39483,0.03948,0.2,10,0,0,0,0,0,0,1,0.918295834,1.480120933,2.464944563,2.813757678,2.835591746,2.477865082,27.54887502,44.40362799,73.9483369,84.41273035,85.06775238,74.33595246,0.187144143,0.301641315,0.502343493,0.573429879,0.577879553,0.504976631,3.988594762,3.426769662,2.441946032,2.093132917,2.07129885,2.429025513,0.187144143,0.301641315,0.502343493,0.573429879,0.577879553,0.504976631,6.73287657,13.47477776,16.24611747,16.87425524,15.11745036,12.5431576,39.49875002,28.66653932,27.18378832,25.52741161,28.63218775,33.58715058,8.1,2.93877551,2.285714286,4,0,3,2.56,1.409,1.5,4.02369228,1.5,3,6.083643419,3.041821709,1.850535862,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.14,0.131,0.159,0.212,4.48,14,14,14,14,8,6,0,0,0,90,2.397895273,2.708050201,2.708050201,2.708050201,2.708050201,2.197224577,1.945910149,0,0,0,4.510859507,1,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,1,3,5,0.666666667,3,1.333333333,0.6875,0.248888889,0.1875,0,0,0,0,0,0.3,0.095238095,0.0625,0.035555556,0.0625,0,0,0,0,0,0.555793651,23.37727465,34.54807559,46.75454929,4.675454929,23.37727465,0.032427167,0.003242717,-3.428758735,56.28586604,5.628586604,4.030443456,0,169.1598463,4.321928095,3.891820298,4.65396035,5.509388337,6.300785795,7.153833802,7.954723334,8.804925263,9.609988595,10.45826307,84.33768885,3.044522438,0,4.343805422,0,5.843544417,0,7.419979924,0,9.031333316,9.257128533,140.1565006,4.671883355,19.29949945,1.929949945,0,0,0,114,11,5.605,48,1.229266235,2.106979274,2.872320518,3.488659952,4.024612105,4.926675166,5.666484958,0,0,0,79.27849437,95.59097279,79.58614481,57.66912418,48.97790216,21.90392404,5.757511372,0,0,0,291.5000555,380.9063067,401.1898241,332.7956864,342.7293742,280.5916894,176.1355702,0,0,0,8.955521785,15.06610491,20.37921733,24.22823481,27.89301304,33.70785572,38.07007519,0,0,0,2.185186681,3.009683411,3.46392879,3.133010691,3.390132786,3.209636546,2.519392337,0,0,0,175.3995389,321.2615967,447.8345631,584.1705719,677.5066462,862.5866916,1047.833094,0,0,0,2.355586761,3.48065571,4.685926882,4.825180351,5.572660333,6.00615775,5.666484958,0,0,0,0.452167257,0.629629359,0.735400443,0.67672662,0.737505303,0.714136696,0.58024806,0,0,0,356.3198315,181.196284,9.066289967,91.29543519,-46.42568878,-4.952307123,265.0243963,227.6219728,14.01859709,0.79604039,0.404803628,0.020254649,0.20395961,-0.10371784,-0.011063758,159.4941964,81.10622298,4.058209801,40.86523057,-20.78084706,-2.216728273,0.060146308,0.117615974,0.637338014,0.843340939,447.6152667,0,1,0,682.8851744,26.13207176,8.806078679,876.625896,29.60786882,9.57057649,1287.133758,35.87664641,10.87780394,1.508605304,1.453219542,559.03193,480.7017889,215.240952,1.162949552,2.59723777,2.233319378,4.164084031,3.779648656,6.970405536,0.844194043,6.358676379,7.846407593,10.46064784,22.2920557,20.6413652,21.36607319,15.20302377,13.91793056,14.80825884,9.680101016,6.328560688,1.034445156,0.934935504,6.60E-13,9.16E-47,2.45E-102,1.27E-179,1.26E-278,0,0,0,0,0,0,0,0,0,0,0,0,0.474237702,7.499729244,0.691797383,9.991034777,1.025961552,3.135942128,1.382316714,2.572377812,0.790838036,0.538922811,0.083869551,0.007380959,0.006584827,4.65E-15,6.45E-49,1.73E-104,8.93E-182,8.90E-281,0,0,0,0,0,0,0,0,0,0,0,0,1.569031636,7.570408502,2.331405672,11.50446639,3.724469416,5.637317294,2.755765495,3.782082338,2.811401346,1.919768236,0.565442093,0.076167207,0.068618976,4.84E-14,6.72E-48,1.80E-103,9.31E-181,9.27E-280,0,0,0,0,0,0,0,0,0,0,0,0,5.960813761,7.825154058,9.737222924,21.18612452,18.97871195,19.81851873,13.84479861,12.83203953,13.65271371,8.948885086,5.665691937,0.921737614,0.833010702,5.88E-13,8.16E-47,2.19E-102,1.13E-179,1.13E-278,0,0,0,0,0,0,0,0,0,0,0,0,2.352149515,7.61895289,3.562180694,12.83955894,5.964514968,7.71661182,4.128432925,4.94094976,4.448073308,3.011700853,1.131514962,0.165210897,0.149049586,1.05E-13,1.46E-47,3.91E-103,2.02E-180,2.01E-279,0,0,0,0,0,0,0,0,0,0,0,0,7.874498957,7.925134085,13.28152752,26.78748016,27.32177504,27.58592811,20.81340695,18.38281575,19.42440753,12.58230288,9.101435145,1.508330274,1.363515566,9.62E-13,1.34E-46,3.58E-102,1.85E-179,1.84E-278,0,0,0,0,0,0,0,0,0,0,0,0,4.003867429,6.75569833,5.434687399,17.1518808,10.24322384,12.27154107,7.215779161,7.867108596,8.001745678,5.458761599,2.54591687,0.400382725,0.361434435,2.55E-13,3.54E-47,9.49E-103,4.90E-180,4.88E-279,0,0,0,0,0,0,0,0,0,0,0,0,3.613571886,1.660494408,1.021639776,0.573974046,0.263750307,0.536470495,0.577957921,0.432472753,6.29570607,11.38851182,23.81437929,0.360961069,1.546901168,2.948036232,1.047262756,0.489236827,0.657378233,0.233527571,0.357178054,0.228852553,0.09936408,4.484535815,5.042015949,11.03700616,0.48606735,0.685394688,3.212245727,1.290906615,0.70072151,0.617279707,0.24806647,0.423985658,0.348448362,0.203687109,5.203873852,7.302164966,15.41172719,0.425919561,0.976121129,3.59708324,1.645321368,1.00846199,0.575453529,0.263214923,0.531587063,0.567395139,0.421408839,6.250866597,11.2051237,23.42442929,0.363180293,1.520391041,3.330066235,1.399471171,0.794975017,0.602780115,0.253320305,0.455630881,0.409853075,0.262079351,5.524512422,8.420195771,17.64955546,0.404170173,1.127563307,3.6651972,1.707994275,1.062895011,0.569476064,0.265377769,0.551905686,0.611655921,0.468033192,6.436086486,11.97127425,25.06122788,0.354214096,1.6315948,3.604376883,1.649371747,1.013017801,0.575157367,0.263193429,0.533738311,0.57019668,0.425218267,6.266766431,11.26709828,23.55621238,0.362736051,1.529153258 +UMLS0206,L,tert-butylcyclohexane,CC(C)(C)C1CCCCC1,18508,,UML,[1],C10H20,PubChem,,9.3,0,1.0301,1.06110601,44.0805,28.268688,0,0,26,10,16,0,10,0,0,0,0,0,0,0,0,0,1458.898234,1780.618739,2488.906743,2263.967004,1306.696445,563.26973,135.295776,12.192768,0,4732.508928,6494.471781,9646.742996,10388.88226,8265.813706,4394.714269,1582.538586,373.0049332,0,182.900584,196.827788,365.350812,477.165936,553.230644,445.928456,165.234816,80.621568,0,35.00280648,48.49460896,75.23178111,86.68456019,77.6166996,46.2981097,17.36002377,5.335354858,0,4226.625993,3844.69868,7732.278102,10324.81365,12855.30323,11299.29381,4120.072605,2219.011824,0,47.64583333,56.05555556,86.48611111,117.2222222,123,88.66666667,40,12,0,56.11147054,65.94884219,48.802093,33.7905523,16.54046133,8.665688154,5.637324,1.016064,0,182.0195742,240.5359919,189.1518235,155.0579442,104.6305532,67.61098876,65.93910774,31.08374443,0,7.034637846,7.289918074,7.163741412,7.121879642,7.002919544,6.860437785,6.884784,6.718464,0,1.346261788,1.796096628,1.475132963,1.293799406,0.982489868,0.712278611,0.723334324,0.444612905,0,162.5625382,142.3962474,151.6132961,154.1016963,162.7253574,173.8352894,171.6696919,184.917652,0,1.832532051,2.076131687,1.6958061,1.749585406,1.556962025,1.364102564,1.666666667,1,0,0.045516393,-0.007347187,-2.44E-04,-0.01554476,-0.019394725,0.020108329,-0.015248491,0.014912584,0,745.0215938,45.8474827,121.7823759,-467.07123,-587.4208721,335.2597172,-35.81834586,214.9100751,0,1385.399467,85.25535183,226.4595283,-868.5388968,-1092.334195,623.4297603,-66.60574362,399.6344617,0,0.145944615,0.008981207,0.023856331,-0.091496047,-0.115071716,0.065675077,-0.007016568,0.042099408,0,6.193380214,0.38113109,1.012379458,-3.882772981,-4.883242092,2.787021097,-0.297758664,1.786551985,0,33.64253962,2.070310131,5.499261284,-21.09128445,-26.52584855,15.13914283,-1.617429789,9.704578737,0,5.549412393,-1.599656887,0.674176118,-1.322310569,-2.306387656,3.466479701,-2.577662722,0.890655819,0,0.001750631,-2.72E-04,-4.78E-06,-2.32E-04,-2.46E-04,3.09E-04,-6.35E-04,0.001242715,0,28.65467669,1.698054915,2.387889724,-6.971212388,-7.435707241,5.157841804,-1.492431077,17.90917293,0,53.2845949,3.157605624,4.440382908,-12.96326712,-13.82701513,9.591227081,-2.775239318,33.30287181,0,0.005613254,3.33E-04,4.68E-04,-0.001365613,-0.001456604,0.001010386,-2.92E-04,0.003508284,0,0.238206931,0.014115966,0.019850578,-0.057951836,-0.061813191,0.042877248,-0.012406611,0.148879332,0,1.293943832,0.076678153,0.107828653,-0.31479529,-0.335770235,0.23290989,-0.067392908,0.808714895,0,0.213438938,-0.059246551,0.01321914,-0.019735979,-0.02919478,0.053330457,-0.107402613,0.074221318,0,-0.155440013,-0.002732328,-0.132530161,-0.140236813,0.176712855,-0.362928542,0.709867297,0,0.059259259,0.083333333,-0.243283582,-0.259493671,0.18,-0.052083333,0.625,0,0.059259259,0.083333333,-0.243283582,-0.259493671,0.18,-0.052083333,0.625,0,0.059259259,0.083333333,-0.243283582,-0.259493671,0.18,-0.052083333,0.625,0,0.059259259,0.083333333,-0.243283582,-0.259493671,0.18,-0.052083333,0.625,0,0.059259259,0.083333333,-0.243283582,-0.259493671,0.18,-0.052083333,0.625,0,-0.277580801,0.061934058,-0.092466627,-0.136782823,0.249862829,-0.503200655,0.34774029,0,1.35733726,0.916526021,1.105849616,1.049947181,0.641494682,1.661199849,0.250447054,0,1.203703704,1.035539216,1.30363806,1.182753165,0.59375,0.846354167,0,0,1.203703704,1.035539216,1.30363806,1.182753165,0.59375,0.846354167,0,0,1.203703704,1.035539216,1.30363806,1.182753165,0.59375,0.846354167,0,0,1.203703704,1.035539216,1.30363806,1.182753165,0.59375,0.846354167,0,0,1.203703704,1.035539216,1.30363806,1.182753165,0.59375,0.846354167,0,0,1.559594922,0.587046196,1.133015914,1.032391587,0.498628291,2.627905857,0,0,42.22533834,21.11266917,30.74255659,42.22533834,4.222533834,21.11266917,-7.11E-15,0.127019246,0.012701925,-2.063416664,90.46544193,9.046544193,4.504967921,42.22533834,21.11266917,30.74255659,42.22533834,4.222533834,21.11266917,-7.11E-15,0.127019246,0.012701925,-2.063416664,90.46544193,9.046544193,4.504967921,42.22533834,21.11266917,30.74255659,42.22533834,4.222533834,21.11266917,-7.11E-15,0.127019246,0.012701925,-2.063416664,90.46544193,9.046544193,4.504967921,42.22533834,21.11266917,30.74255659,42.22533834,4.222533834,21.11266917,-7.11E-15,0.127019246,0.012701925,-2.063416664,90.46544193,9.046544193,4.504967921,42.22533834,21.11266917,30.74255659,42.22533834,4.222533834,21.11266917,-7.11E-15,0.127019246,0.012701925,-2.063416664,90.46544193,9.046544193,4.504967921,42.22533834,21.11266917,30.74255659,42.22533834,4.222533834,21.11266917,-7.11E-15,0.127019246,0.012701925,-2.063416664,90.46544193,9.046544193,4.504967921,60.28864191,29.8200154,45.09867652,59.76975303,5.976975303,29.8200154,-0.648611111,0.174925674,0.017492567,-1.743394114,73.25248899,7.325248899,4.293912227,0,11.9,12.10017173,-0.127454752,0.074342322,6.234478304,9.981255199,11,27,26,26,10,1,1,0,0,1,17.491312,3.941163035,3.230153108,2.856676163,2.640541988,2.333552793,1.712270638,1.381888611,1.258318383,1.845036848,1.74089499,1.399710174,1.249629723,1.210778386,0.898551475,0.610100793,0.458991943,3.954301676,3.258520751,2.892354133,2.682325824,2.405454588,1.788773329,1.473531952,1.358247734,1.789620093,1.688398161,1.324614197,1.134540686,1.117699434,0.790157774,0.469234731,0.310944404,4.013515899,3.389119018,3.050419535,2.867538061,2.704236987,2.119757378,1.856915857,1.766966843,1.634434356,1.546643966,1.09647092,0.836378185,0.76031856,0.455113309,0.005197791,0.186854957,3.964049959,3.27976193,2.91872095,2.713238383,2.457539916,1.845103772,1.540252991,1.430363024,1.755009866,1.656042554,1.276160863,1.058262671,1.057629867,0.719583075,0.374578164,0.211563107,4.043392532,3.455514614,3.127735521,2.957594821,2.838982085,2.2733756,2.028554752,1.94664559,1.588548381,1.506601455,1.023212351,0.747527696,0.631337262,0.346989118,0.174302003,0.3644268,3.905707868,3.415206765,3.06219168,2.744426554,2.634654398,1.934731756,1.593008598,1.482901612,1.789925261,1.598953692,1.23900851,1.014022746,0.878556837,0.508467719,0.282948728,0.10932972,0,0,1,0,1,2,3,2,1,0.204124145,0.380039828,0.234708048,0.879494812,1.171606735,0.204124145,0.36425077,0.203263132,0.702130457,0.851089119,1.16660592,0.083333333,0.511485683,0.083333333,1.059452169,0.083333333,0.472737531,0.083333333,2.812278497,3.654697273,3.72193194,2.530863517,3.109430684,2.794373571,7.353371151,4.666337772,4.714440022,3.876003667,2.856765859,1.750461159,0.836242642,0.136082763,0.735337115,0.424212525,0.261913335,0.161500153,0.102027352,0.070018446,0.055749509,0.034020691,6.983127663,4.343187795,4.302822079,3.468092233,2.452511334,1.33943006,0.602574147,0.11785113,0.698312766,0.394835254,0.239045671,0.144503843,0.087589691,0.053577202,0.04017161,0.029462783,14.33462243,25.10269483,23.80392157,24.08,16.38843593,197.7114299,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,2.92489,43.482,42.30618161,57.61871717,84.61236321,8.461236321,42.30618161,0.203145384,0.020314538,-1.593833381,48.93012701,4.893012701,3.890393301,80,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,7,2,0,1,0,0,0,0,0,0,0,0,2,1,3,0,0,0,2,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.640115741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.323680556,0,0,0,1.726875,0.580555556,0,0.323680556,0,0,0,0,0,0,0,0,4.719444444,4.104282407,4.181064815,0,0,0,1.809490741,0,0,1.535833333,0,0,0.733217593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.535833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.323680556,0,0,0,0.216944444,0.290277778,0,0.323680556,0,0,0,0,0,0,0,0,2.359722222,4.104282407,1.30837963,0,0,0,0.88587963,0,0,1.535833333,0,0,0.733217593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.104282407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.323680556,0,0,0,0.290277778,0.290277778,0,0.323680556,0,0,0,0,0,0,0,0,2.359722222,4.104282407,1.447916667,0,0,0,0.923611111,0,0,1.535833333,0,0,0.733217593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.08333333,1.708333333,0.323680556,4.104282407,0.006041667,0.733217593,6.091354421,0.516782407,1.104282407,3.647453704,0.516782407,1.104282407,3.647453704,5,0.5,0,0,0.45385,0.7,0.44286,0.44286,0.7,0.01099,0.01099,0,0,0.71429,0,0,0.3,0.3,0.1,6.5,0.65,5.5,0.55,1,0.1,-4.5,-0.45,0,0,10.36511,1.03651,11.83726,1.47215,0.14722,4.18002,0.418,4.66632,0.4863,0.04863,0.24768,0.02477,0.41968,0.04197,0.230769231,31,0,0,0,0,0,0,0.8,0.961236605,2.419556299,3.565448372,3.719294526,3.719294526,3.719294526,24.99215172,62.90846376,92.70165767,96.70165767,96.70165767,96.70165767,0.204499294,0.514751054,0.75853507,0.791265232,0.791265232,0.791265232,3.739203113,2.28088342,1.134991346,0.981145192,0.981145192,0.981145192,0.199951246,0.50330303,0.741665309,0.773667554,0.773667554,0.773667554,6.796774065,20.61971472,22.62012536,22.77517536,22.77517536,22.77517536,38.70844392,20.64166597,18.18462585,17.66141363,17.66141363,17.66141363,6.694214876,1.777777778,0.7168,3,2,3,2.56,1.2574,0.814325285,2.94389819,4.112265279,1.310370697,1.650963624,5.018135372,2.381101578,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0.003,0.163,0.175,0.286,0.54,4.478,18,24,28,25,15,4,0,0,0,135,2.564949357,3.044522438,3.33220451,3.526360525,3.526360525,3.135494216,1.609437912,0,0,0,5.087596335,1.192592593,0.4,2,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,3,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.090909091,3,0.272727273,0,3,5,0.666666667,3.5,2.388888889,1.263888889,0.41,0,0,0,0,0,0,0.318181818,0.159259259,0.105324074,0.082,0,0,0,0,0,0,0.664765152,22.1481631,31.93888677,44.29632619,4.429632619,22.1481631,0.050788084,0.005078808,-2.98009352,124.7743424,12.47743424,4.826506845,0,154.1669289,4.321928095,4.077537444,5.003946306,5.96870756,6.930494766,7.899895323,8.867990898,9.838041953,10.80740201,11.77744894,92.1714652,3.135494216,1.945910149,4.553876892,4.262679877,6.22059017,6.447305863,8.003363059,8.526549286,9.84866171,10.25072309,136.1252005,5.235584635,19.57810361,1.957810361,0,0,0,107,12,4.222,58,1.263151459,2.204543449,3.059376267,3.746979255,4.418885071,5.717114638,6.366515976,0,0,0,95.44431658,119.3747944,112.6802898,70.01372151,45.28638454,33.30644044,6.468787689,0,0,0,332.2002716,448.7900696,499.7802384,415.9181029,326.8534702,385.1062019,197.8951555,0,0,0,9.24711996,15.85729087,21.84136135,26.29758111,30.41185985,39.39986848,42.77320839,0,0,0,2.422652867,3.440356403,4.109681942,3.829842719,3.343631966,4.200355042,2.830635162,0,0,0,177.4493217,329.7102021,467.7238293,605.5185222,760.7453351,978.3672171,1177.281186,0,0,0,2.658299186,3.866075718,5.476231148,5.99016271,6.339736597,9.649244566,6.366515976,0,0,0,0.498747696,0.715628053,0.865282639,0.822376877,0.732342275,0.926578143,0.651931236,0,0,0,335.3923738,162.253925,10.86829423,94.81768415,-45.87027796,-5.433054601,240.5746897,208.1242029,16.30134883,0.779601424,0.377150469,0.025262762,0.220398576,-0.106622979,-0.012628841,144.2891726,69.80327047,4.675649491,40.79152139,-19.73385494,-2.337354735,0.110483667,0.204983914,3.915488287,4.931547755,430.210058,0,1,0,718.6086422,26.80687677,8.957032402,875.0011711,29.58041871,9.564660181,1265.332869,35.57151767,10.81603947,1.292929866,1.246908355,566.9206676,545.0790284,194.8199732,1.040070592,2.909972003,2.797860093,4.253565967,4.347314109,7.620988462,0.753033775,5.022545704,9.481150743,2.553706334,15.79039885,10.33072032,19.52640021,11.90328816,10.43806007,4.655537324,6.303848879,3.983872236,2.415376889,0.491042987,0.254256377,5.77E-07,2.78E-34,2.58E-83,4.62E-154,1.59E-246,0,0,0,0,0,0,0,0,0,0,0,0.421518175,8.740578085,0.141927229,9.359756481,1.648496845,2.824239081,1.202440181,0.661324936,1.138742903,0.348873347,0.514829418,0.021621312,0.005443752,0.001790748,4.07E-09,1.96E-36,1.82E-85,3.25E-156,1.12E-248,0,0,0,0,0,0,0,0,0,0,0,1.360685984,8.790065063,0.50585038,10.40243297,2.860397255,5.341881311,2.74090113,2.26082503,1.397354187,1.235076395,1.01905923,0.189117991,0.041140387,0.01866098,4.24E-08,2.04E-35,1.89E-84,3.39E-155,1.17E-247,0,0,0,0,0,0,0,0,0,0,0,4.740874095,9.39984251,2.360645049,15.30121849,9.600975869,18.18847851,11.01972364,9.69939415,4.277777284,5.822781938,3.699375421,2.155231316,0.438877455,0.226537854,5.14E-07,2.48E-34,2.30E-83,4.11E-154,1.42E-246,0,0,0,0,0,0,0,0,0,0,0,2.005395242,8.854227127,0.793788632,11.19835284,3.858701431,7.334905674,3.988760775,3.476453861,1.711241015,1.94121321,1.42573213,0.399446346,0.084477061,0.040534141,9.20E-08,4.43E-35,4.11E-84,7.36E-155,2.54E-247,0,0,0,0,0,0,0,0,0,0,0,6.065448888,9.823040796,3.320089442,17.71004776,13.25770513,24.83826615,15.43413618,13.33212731,6.238678854,8.217308868,5.119127838,3.507564905,0.709664561,0.37080903,8.42E-07,4.05E-34,3.76E-83,6.73E-154,2.32E-246,0,0,0,0,0,0,0,0,0,0,0,3.20698397,6.755035237,1.15533308,12.00679062,5.333653685,9.999329013,6.491911208,5.680027074,2.595018788,3.244363649,3.119299348,0.868663353,0.181171379,0.087121757,1.98E-07,9.52E-35,8.84E-84,1.58E-154,5.46E-247,0,0,0,0,0,0,0,0,0,0,0,4.352971577,1.396163383,1.196979966,0.62667716,0.200999177,0.504839405,0.515234615,0.485636663,6.946114926,12.95905889,27.17977111,0.44001574,1.505710684,3.402480873,0.795798692,0.6353695,0.703915577,0.164637251,0.304082426,0.164373855,0.123968333,4.833649066,5.375148618,11.92918122,0.555873366,0.592424614,3.752391306,1.018882421,0.844480506,0.668190086,0.181432872,0.371637695,0.272007466,0.227574226,5.615754233,7.852493191,16.69690375,0.502285129,0.871219387,4.326466617,1.379631918,1.181580901,0.628145758,0.200304316,0.498495433,0.502987328,0.472074458,6.887679436,12.71114849,26.65160331,0.442218636,1.47355722,3.919511185,1.124490296,0.943345687,0.654632356,0.187811106,0.406497979,0.332393248,0.289059224,5.987347168,9.165689338,19.31078762,0.481948534,1.02795045,4.437054063,1.448545538,1.245740352,0.622190793,0.203123894,0.52525129,0.554992749,0.529981034,7.131339953,13.75920378,28.89725939,0.43328619,1.610225074,4.36791176,1.381398552,1.184798003,0.629916863,0.199217908,0.507502337,0.504384646,0.472765442,6.934108314,12.84559835,26.92857282,0.444875295,1.484652425 +UMLS0207,L,4-methylene-1-(1-methylethyl)bicyclo3.1.0hexane,CC(C)C12CCC(=C)C1C2,18818,Sandia Ron value was from the biocompoundML source for which I could not find the orginal source so I think we should use the co-optima database values which were measured by LBL,Sandia,,C10H16,UML,,21.9,0,0.8598,0.73925604,31.9446,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1128.97815,1018.072781,708.378555,335.100697,76.792464,6.096384,0,3399.790734,4147.41404,5230.324054,5316.034085,4332.778282,2682.588164,1071.022993,186.5024666,0,146.842108,144.889944,255.179544,322.340468,313.179564,248.275108,143.083584,40.310784,0,25.74688067,32.32302034,44.11934665,47.55905142,41.08800151,27.71539134,12.68152803,2.667677429,0,3476.407621,2904.481805,5640.598507,7484.308114,7479.227263,6153.780717,3724.295171,1109.505912,0,41.27777778,45.91666667,63,77.5,75.5,56,29,6,0,48.76541633,51.7541979,31.36050417,22.13201698,15.74174567,9.308352694,3.656784,1.016064,0,161.8947969,207.370702,145.2867793,115.5659584,96.28396182,74.51633789,51.00109489,31.08374443,0,6.992481333,7.2444972,7.088320667,7.007401478,6.959545867,6.896530778,6.813504,6.718464,0,1.226041937,1.616151017,1.225537407,1.033892422,0.9130667,0.769871982,0.603882287,0.444612905,0,165.54322,145.2240902,156.6832919,162.7023503,166.2050503,170.9383532,177.3473891,184.917652,0,1.965608466,2.295833333,1.75,1.684782609,1.677777778,1.555555556,1.380952381,1,0,0.048131092,-0.010602567,-0.012435989,-4.49E-04,-0.007546503,-7.46E-04,3.82E-04,0.007332135,0,564.9747087,-53.80711511,-121.066009,-107.6142302,-121.066009,-40.35533633,80.71067267,80.71067267,0,1050.594596,-100.0566282,-225.1274134,-200.1132564,-225.1274134,-75.04247115,150.0849423,150.0849423,0,0.110674667,-0.010540444,-0.023716,-0.021080889,-0.023716,-0.007905333,0.015810667,0.015810667,0,4.696646663,-0.447299682,-1.006424285,-0.894599364,-1.006424285,-0.335474762,0.670949523,0.670949523,0,25.51225921,-2.429738973,-5.466912688,-4.859477945,-5.466912688,-1.822304229,3.644608459,3.644608459,0,5.701058201,-1.333018393,-0.529856387,0.324137062,-1.200680272,-0.154195011,-0.502645503,0.545729403,0,0.002291957,-5.30E-04,-3.45E-04,-9.75E-06,-1.68E-04,-2.07E-05,1.82E-05,0.001222022,0,26.90355756,-2.690355756,-3.362944694,-2.339439787,-2.690355756,-1.120981565,3.843365365,13.45177878,0,50.0283141,-5.00283141,-6.253539262,-4.350288182,-5.00283141,-2.084513087,7.146902014,25.01415705,0,0.005270222,-5.27E-04,-6.59E-04,-4.58E-04,-5.27E-04,-2.20E-04,7.53E-04,0.002635111,0,0.223649841,-0.022364984,-0.02795623,-0.019447812,-0.022364984,-0.009318743,0.031949977,0.111824921,0,1.214869486,-0.121486949,-0.151858686,-0.105640825,-0.121486949,-0.050619562,0.173552784,0.607434743,0,0.271478962,-0.06665092,-0.014718233,0.007046458,-0.026681784,-0.004283195,-0.0239355,0.0909549,0,-0.231299463,-0.150720182,-0.004255023,-0.073168948,-0.009041262,0.007936333,0.53317866,0,-0.1,-0.125,-0.086956522,-0.1,-0.041666667,0.142857143,0.5,0,-0.1,-0.125,-0.086956522,-0.1,-0.041666667,0.142857143,0.5,0,-0.1,-0.125,-0.086956522,-0.1,-0.041666667,0.142857143,0.5,0,-0.1,-0.125,-0.086956522,-0.1,-0.041666667,0.142857143,0.5,0,-0.1,-0.125,-0.086956522,-0.1,-0.041666667,0.142857143,0.5,0,-0.245510441,-0.054215004,0.025955816,-0.098283063,-0.015777262,-0.088167053,0.335034803,0,1.527324971,1.066307383,0.918191491,1.036347701,0.947611325,0.80679229,0.189555645,0,1.5,1.25,1.071428571,1,0.833333333,0.510204082,0,0,1.5,1.25,1.071428571,1,0.833333333,0.510204082,0,0,1.5,1.25,1.071428571,1,0.833333333,0.510204082,0,0,1.5,1.25,1.071428571,1,0.833333333,0.510204082,0,0,1.5,1.25,1.071428571,1,0.833333333,0.510204082,0,0,1.603016241,0.790409899,0.786996873,1.211600928,0.950116009,1.16937355,0,0,27.83126049,13.91563025,21.43129384,27.83126049,3.975894356,13.91563292,-3.55E-15,0.134696783,0.019242398,-1.403310356,23.28237909,3.326054155,2.203387769,27.83126049,13.91563025,21.43129384,27.83126049,3.975894356,13.91563292,-3.55E-15,0.134696783,0.019242398,-1.403310356,23.28237909,3.326054155,2.203387769,27.83126049,13.91563025,21.43129384,27.83126049,3.975894356,13.91563292,-3.55E-15,0.134696783,0.019242398,-1.403310356,23.28237909,3.326054155,2.203387769,27.83126049,13.91563025,21.43129384,27.83126049,3.975894356,13.91563292,-3.55E-15,0.134696783,0.019242398,-1.403310356,23.28237909,3.326054155,2.203387769,27.83126049,13.91563025,21.43129384,27.83126049,3.975894356,13.91563292,-3.55E-15,0.134696783,0.019242398,-1.403310356,23.28237909,3.326054155,2.203387769,27.83126049,13.91563025,21.43129384,27.83126049,3.975894356,13.91563292,-3.55E-15,0.134696783,0.019242398,-1.403310356,23.28237909,3.326054155,2.203387769,40.88940366,20.2145431,32.16530892,40.56060548,5.794372211,20.21454311,-0.46031746,0.169135939,0.024162277,-1.243936759,20.77952125,2.968503036,2.123777563,0,11.79,12.21004853,-0.30544249,0.114856658,5.22667869,8.125129195,6,20,19,19,5,1,1,0,0,1,15.304898,3.533636467,3.092390319,2.68208376,2.231649055,1.557727426,1.231631211,0.789750256,0.083923071,1.90553437,1.627625826,1.360052186,1.134580729,0.701577853,0.518886035,0.283150003,0.083923071,3.557702919,3.128894544,2.730387772,2.30146987,1.649460191,1.341605858,0.924474843,0.270913902,1.849188444,1.550969954,1.267702716,1.020098892,0.562370719,0.369760717,0.117507241,0.270913902,3.665286663,3.289431031,2.940082921,2.594072844,2.029169041,1.782217389,1.448763528,0.943918427,1.687106866,1.321363101,0.981096218,0.649350969,0.099745512,0.138195153,0.458873082,0.943918427,3.575527102,3.155809708,2.765888129,2.352208803,1.715927386,1.420388097,1.019985099,0.399277246,1.813622669,1.501752734,1.207533025,0.944318332,0.469310062,0.269232934,0.00502385,0.399277246,3.718715265,3.367201896,3.039499665,2.727035072,2.198229229,1.971825687,1.667797982,1.207644823,1.637755667,1.24881926,0.887553946,0.522365357,0.062980981,0.322707365,0.674014848,1.207644823,3.603533062,3.211454519,2.883559706,2.370333171,1.761002715,1.491813747,1.094021954,0.525,1.873904224,1.458876043,1.01897622,0.895898619,0.411710299,0.17925034,0.097896871,0.525,0,0,1,1,0,2,2,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.23570226,0,0,0,0.49279928,0.40824829,0.204124145,0.333333333,0.284517797,0.11785113,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.276020882,2.934286965,2.001661279,1.146385863,0.573192931,0.11785113,0,0,0.753717269,0.489047827,0.333610213,0.229277173,0.19106431,0.11785113,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,5,1,0,2,0,0,0,0,0,0,0,0,2,1,2,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.682685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374027778,0.306319444,0,0,1.219652778,0.290277778,0,0.680347222,0,0,0,0,0,0,0,0,4.385416667,3.679212963,2.552268519,0,2.003472222,0,0.712962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374027778,0.306319444,0,0,0.216944444,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.190972222,3.679212963,1.271018519,0,2.003472222,0,0.712962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.679212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374027778,0.306319444,0,0,0.290277778,0.290277778,0,0.374027778,0,0,0,0,0,0,0,0,2.194444444,3.679212963,1.28125,0,2.003472222,0,0.712962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.904761905,0.374027778,3.679212963,0.216944444,0.712962963,5.15866463,0.62037037,0.679212963,2.136203704,0.62037037,0.679212963,2.136203704,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.74178,0.82025,7.07892,1.33713,0.19102,2.77005,0.39572,3.30805,0.53801,0.07686,0.10595,0.01514,0.10595,0.01514,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.163334789,3.177566232,3.653756708,3.653756708,3.140202668,19.28421252,45.43003057,66.72889087,76.72889087,76.72889087,65.94425603,0.209068641,0.492526969,0.723437294,0.831851698,0.831851698,0.714930722,3.474021589,2.228982634,1.214751191,0.738560714,0.738560714,1.252114755,0.209068641,0.492526969,0.723437294,0.831851698,0.831851698,0.714930722,6.73287657,16.18022255,19.296138,19.77605468,19.77605468,13.6134062,27.64912502,18.09706317,14.77014725,13.54772211,13.54772211,12.40486497,7,4.166666667,3.84,7,2,6,2.23,1.0519,0.766309432,4.112265279,1.650963624,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.126,0.12,0.128,0.152,2.932,6,5,3,1,0,0,0,0,0,28,2.079441542,2.079441542,2.079441542,1.609437912,1.098612289,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,0,126.9918924,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,98.10955045,4.671883355,12.66537523,1.809339318,0,0,0,50,5,3.892,24,1.2236,2.129849001,2.895625649,3.569719619,4.419350313,5.560370242,7.169405074,0,0,0,73.7959167,75.26995215,72.85490371,68.21971065,50.81736701,23.25818232,7.284574397,0,0,0,278.2003652,333.5005906,358.6400627,380.7649369,368.2132674,305.6472975,222.851955,0,0,0,8.897867644,15.1509838,20.34101764,24.9385429,30.61171206,37.99088011,48.16738989,0,0,0,2.110244062,2.756613143,3.137102336,3.493830493,3.67403286,3.534230818,3.187610016,0,0,0,175.6104775,329.8422779,467.5764916,586.3186717,745.1653586,977.7316109,1325.749553,0,0,0,2.872154167,3.858580819,5.026270464,6.273238392,7.36309659,8.088876034,7.169405074,0,0,0,0.43759575,0.581209576,0.668673626,0.750757309,0.800299399,0.787840394,0.73414708,0,0,0,359.4169182,159.411584,10.92647815,159.3188683,-70.66243094,-10.77449136,200.0980499,230.074015,21.70096952,0.692870875,0.307307859,0.021063668,0.307129125,-0.136220467,-0.020770673,186.4424178,82.69249343,5.667955239,82.64439845,-36.65513169,-5.589114252,0.128285824,0.230821994,2.647802868,5.12488256,518.7357865,0,1,0,393.1393776,19.82774263,7.32569526,529.3948196,23.00858143,8.089590956,620.0614972,24.90103406,8.527300903,1.761359356,1.575262244,465.750279,418.1346771,77.29811879,1.113876233,6.025376637,5.409377145,3.976832457,4.466158665,7.71775273,0.728051623,4.149594424,4.863382706,3.183260065,17.26893599,8.155932472,5.486667827,8.309032289,10.16209314,5.346876846,1.932206216,2.1834545,1.59825382,1.550431541,0.017449186,6.94E-04,5.32E-27,7.87E-72,2.25E-138,1.24E-226,0,0,0,0,0,0,0,0,0,0,0,0.348257413,4.863167048,0.198039551,6.041555086,1.633700838,0.253605973,0.617079535,0.334902914,1.766151713,0.046764703,0.104756216,0.085980945,0.074062434,1.23E-04,4.89E-06,3.75E-29,5.55E-74,1.58E-140,8.71E-229,0,0,0,0,0,0,0,0,0,0,0,1.124191339,4.863181938,0.684833967,7.323420705,2.096456708,0.947824191,1.902551606,1.365484795,2.289216274,0.226997223,0.364997808,0.309023168,0.276018499,0.001280673,5.09E-05,3.91E-28,5.78E-73,1.65E-139,9.07E-228,0,0,0,0,0,0,0,0,0,0,0,3.916879296,4.863359198,2.957151907,16.22434091,7.449374599,5.03400842,7.737447512,9.215430542,5.054141298,1.744390835,1.998157303,1.475375226,1.424884026,0.015546911,6.18E-04,4.74E-27,7.01E-72,2.00E-138,1.10E-226,0,0,0,0,0,0,0,0,0,0,0,1.656845653,4.863200809,1.055391516,8.503236191,2.672020713,1.535420077,2.869497297,2.362550676,2.709995036,0.411478979,0.59235981,0.487564409,0.444169621,0.002781791,1.11E-04,8.48E-28,1.26E-72,3.58E-139,1.97E-227,0,0,0,0,0,0,0,0,0,0,0,5.011233796,4.863481445,4.06966326,21.54224652,11.12088199,7.312873029,10.53967818,14.05893591,6.514228204,2.709795445,2.935427564,2.087619428,2.055204989,0.025447997,0.001011965,7.76E-27,1.15E-71,3.28E-138,1.80E-226,0,0,0,0,0,0,0,0,0,0,0,2.28124299,3.442884192,1.443137631,9.076984589,3.997385781,2.333470519,4.533124506,3.24652228,3.6141716,0.65143317,0.989993392,0.708069788,0.698334073,0.004809434,1.91E-04,1.47E-27,2.17E-72,6.19E-139,3.41E-227,0,0,0,0,0,0,0,0,0,0,0,4.89053108,1.163479344,0.510589742,0.744985369,0.177235371,0.48982378,0.464339462,0.39911111,6.564600167,8.781147516,18.2510196,0.617478054,1.353274351,4.142425623,0.640573203,0.151605285,0.839464632,0.129812481,0.34990716,0.138892202,0.034441153,4.93460411,3.378654747,8.715547551,0.759196948,0.523240515,4.438209075,0.848600169,0.295176392,0.795095037,0.152024786,0.402147999,0.245129752,0.132297765,5.581985636,5.326806249,12.02050439,0.692642555,0.779575516,4.871879727,1.150578579,0.501787751,0.746734517,0.176354259,0.486019455,0.453985047,0.385401749,6.524246057,8.62747626,17.96448374,0.620101775,1.325406251,4.570635672,0.941215905,0.358698651,0.778570235,0.160328396,0.426832963,0.302317403,0.196042254,5.870550228,6.279048716,13.6927044,0.667855353,0.92519262,4.948963468,1.203848773,0.538125869,0.739651658,0.17992227,0.501848619,0.497491197,0.443536311,6.69093811,9.268791035,19.16577739,0.609477487,1.442876127,4.905808636,1.151022631,0.501052249,0.748078038,0.175517395,0.492672262,0.454117484,0.384073008,6.557883516,8.681485693,18.06865932,0.622117057,1.330862754 +UMLS0208,L,3-Methyl-1-Hexene,CCCC(C)C=C,18848,,"Sandia, UML",[1],C7H14,PubChem,,10.7,0,1.0506,1.10376036,31.7748,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1238.953135,1191.545718,659.955074,167.724144,15.24096,0,0,3399.790734,4147.41404,5371.798596,5866.174625,4796.070567,2318.950091,466.2561665,0,0,146.842108,144.889944,254.804092,304.204632,355.86164,306.721728,100.77696,0,0,25.74688067,32.32302034,44.45683953,50.57629401,46.76284309,27.36582617,6.669193573,0,0,3476.407621,2904.481805,5677.860524,6776.046549,8392.495636,7971.548194,2773.76478,0,0,41.80555556,46.55555556,63.83333333,83.33333333,89.5,59,15,0,0,48.76541633,51.7541979,34.41536486,27.71036553,12.94029557,3.7272032,1.016064,0,0,161.8947969,207.370702,149.2166277,136.4226657,94.04059935,51.53222424,31.08374443,0,0,6.992481333,7.2444972,7.077891444,7.074526326,6.977679216,6.8160384,6.718464,0,0,1.226041937,1.616151017,1.234912209,1.176192884,0.916918492,0.608129471,0.444612905,0,0,165.54322,145.2240902,157.7183479,157.5824779,164.558738,177.1455154,184.917652,0,0,1.990740741,2.327777778,1.773148148,1.937984496,1.754901961,1.311111111,1,0,0,0.042207653,-0.007738682,-0.001139866,-0.010007234,-0.021523129,0.006253881,0.013051204,0,0,564.9747087,-53.80711511,40.35533633,-228.6802392,-403.5533633,161.4213453,201.7766817,0,0,1050.594596,-100.0566282,75.04247115,-425.2406698,-750.4247115,300.1698846,375.2123557,0,0,0.110674667,-0.010540444,0.007905333,-0.044796889,-0.079053333,0.031621333,0.039526667,0,0,4.696646663,-0.447299682,0.335474762,-1.901023649,-3.354747616,1.341899046,1.677373808,0,0,25.51225921,-2.429738973,1.822304229,-10.32639063,-18.22304229,7.289216918,9.111521147,0,0,5.793650794,-2.083900227,1.163265306,-0.289115646,-3.102040816,-0.022108844,1.43707483,0,0,0.002009888,-3.87E-04,-3.17E-05,-2.33E-04,-4.22E-04,1.39E-04,8.70E-04,0,0,26.90355756,-2.690355756,1.120981565,-5.318145098,-7.912811046,3.587141007,13.45177878,0,0,50.0283141,-5.00283141,2.084513087,-9.889317903,-14.71421003,6.67044188,25.01415705,0,0,0.005270222,-5.27E-04,2.20E-04,-0.001041788,-0.001550065,7.03E-04,0.002635111,0,0,0.223649841,-0.022364984,0.009318743,-0.044209852,-0.065779365,0.029819979,0.111824921,0,0,1.214869486,-0.121486949,0.050619562,-0.240148619,-0.357314555,0.161982598,0.607434743,0,0,0.275888133,-0.104195011,0.032312925,-0.00672362,-0.06082433,-4.91E-04,0.095804989,0,0,-0.19251524,-0.015753582,-0.115790704,-0.209972935,0.069145699,0.432899816,0,0,-0.1,0.041666667,-0.197674419,-0.294117647,0.133333333,0.5,0,0,-0.1,0.041666667,-0.197674419,-0.294117647,0.133333333,0.5,0,0,-0.1,0.041666667,-0.197674419,-0.294117647,0.133333333,0.5,0,0,-0.1,0.041666667,-0.197674419,-0.294117647,0.133333333,0.5,0,0,-0.1,0.041666667,-0.197674419,-0.294117647,0.133333333,0.5,0,0,-0.377671233,0.117123288,-0.024370819,-0.220467365,-0.001780822,0.347260274,0,0,1.504574766,0.994312765,1.182851517,1.243718688,0.632473017,0.09064607,0,0,1.5,1.071428571,1.295681063,1.218487395,0.523809524,0,0,0,1.5,1.071428571,1.295681063,1.218487395,0.523809524,0,0,0,1.5,1.071428571,1.295681063,1.218487395,0.523809524,0,0,0,1.5,1.071428571,1.295681063,1.218487395,0.523809524,0,0,0,1.5,1.071428571,1.295681063,1.218487395,0.523809524,0,0,0,1.754794521,0.588660578,1.18302007,1.339645447,0.767123288,0,0,0,25.51627403,12.75813701,18.84020815,25.51627403,3.645182004,12.75814516,1.78E-15,0.117122538,0.016731791,-1.501174194,41.0703189,5.867188414,2.600699985,25.51627403,12.75813701,18.84020815,25.51627403,3.645182004,12.75814516,1.78E-15,0.117122538,0.016731791,-1.501174194,41.0703189,5.867188414,2.600699985,25.51627403,12.75813701,18.84020815,25.51627403,3.645182004,12.75814516,1.78E-15,0.117122538,0.016731791,-1.501174194,41.0703189,5.867188414,2.600699985,25.51627403,12.75813701,18.84020815,25.51627403,3.645182004,12.75814516,1.78E-15,0.117122538,0.016731791,-1.501174194,41.0703189,5.867188414,2.600699985,25.51627403,12.75813701,18.84020815,25.51627403,3.645182004,12.75814516,1.78E-15,0.117122538,0.016731791,-1.501174194,41.0703189,5.867188414,2.600699985,25.51627403,12.75813701,18.84020815,25.51627403,3.645182004,12.75814516,1.78E-15,0.117122538,0.016731791,-1.501174194,41.0703189,5.867188414,2.600699985,37.83889638,18.70694819,28.66022708,37.53532495,5.362189278,18.70694821,-0.425,0.171357361,0.024479623,-1.23480285,104.0980491,14.87114987,3.251733264,0,11.89,12.11009426,-0.171570337,0.051003778,5.486556047,8.451504808,6,20,19,19,5,1,1,0,0,1,15.304898,3.576335142,3.024514659,2.623510758,2.226480312,1.827316197,1.198562597,0.376897208,0.083923071,1.911604203,1.584999584,1.394094114,1.116295809,0.882110178,0.460974563,0.083923071,0.083923071,3.597027661,3.062686366,2.680649249,2.295550517,1.911738537,1.304008844,0.498807424,0.270913902,1.858845362,1.50497306,1.292437336,1.003816273,0.752654428,0.312258728,0.270913902,0.270913902,3.69131,3.230950858,2.924242163,2.584478346,2.260431622,1.731715593,0.960747079,0.943918427,1.710781659,1.264450049,0.971091686,0.638971348,0.325314392,0.190244033,0.943918427,0.943918427,3.61244737,3.090860477,2.722390897,2.345712589,1.972815967,1.37989057,0.584626147,0.399277246,1.825865463,1.453503991,1.225759128,0.929322047,0.666352851,0.212277063,0.399277246,0.399277246,3.739190402,3.312531529,3.037398407,2.715506858,2.415963933,1.917978701,1.207644823,1.207644823,1.666908145,1.188349523,0.863875172,0.51374779,0.175789856,0.370830383,1.145139211,1.207644823,3.622710018,3.136509311,2.769757733,2.533340388,1.988998355,1.388498804,0.623784667,0.518518519,1.877504931,1.392158348,1.160691916,0.748144737,0.605151601,0.168836631,0.518518519,0.518518519,0,0,1,0,1,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.40824829,0,0.144337567,0,1.276142375,0.707106781,0.23570226,0.90104757,0.49279928,0.144337567,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,5.491563832,2.834933866,2.155648531,1.453633428,0.348461713,0,0,0,0.784509119,0.472488978,0.30794979,0.242272238,0.174230856,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,3,1,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.119861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.353194444,0,0,0,1.002708333,0.580555556,0,0.353194444,0,0,0,0,0,0,0,0,6.454212963,3.82587963,1.217592593,0,0,0,0.708333333,0,0,1.293981481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.293981481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.353194444,0,0,0,0.225625,0.290277778,0,0.353194444,0,0,0,0,0,0,0,0,2.077546296,3.82587963,1.217592593,0,0,0,0.708333333,0,0,1.293981481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.82587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.353194444,0,0,0,0.290277778,0.290277778,0,0.353194444,0,0,0,0,0,0,0,0,2.196759259,3.82587963,1.217592593,0,0,0,0.708333333,0,0,1.293981481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.5,1.928571429,0.353194444,3.82587963,0.053819444,0.708333333,4.71031963,0.625,0.82587963,2.560185185,0.625,0.82587963,2.560185185,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0.28571,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.19858,0.88551,7.55695,1.35837,0.19405,2.65631,0.37947,3.18073,0.52442,0.07492,0.23327,0.03332,0.23327,0.03332,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.153291232,3.236857303,3.522571589,3.313413617,2.476781727,19.28421252,45.21911587,67.97400337,73.97400337,69.58168595,52.01241626,0.209068641,0.49024035,0.736936107,0.80198475,0.754365702,0.563889512,3.474021589,2.239026191,1.155460119,0.869745834,1.078903806,1.915535696,0.209068641,0.49024035,0.736936107,0.80198475,0.754365702,0.563889512,6.73287657,17.21697421,19.35589302,19.64384303,17.13394736,9.393465712,27.64912502,16.33397711,14.58757905,13.89556055,12.64061271,8.666611233,7,3.06122449,2.666666667,7,2,5,2.23,1.0519,1.944161297,1.941967087,4.930998067,0,0,1.414213562,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.108,0.104,0.16,2.909,7,6,2,0,0,0,0,0,0,28,2.079441542,2.302585093,2.197224577,1.386294361,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,2,1.111111111,0.25,0,0,0,0,0,0,0,0.333333333,0.158730159,0.041666667,0,0,0,0,0,0,0,0.533730159,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,0,126.9918924,3.807354922,3.295836866,3.970291914,4.691347882,5.398162702,6.120297419,6.834108739,7.556427969,8.272059622,8.994296558,68.13282967,2.564949357,0,3.713572067,0,5.056245805,0,6.463029457,0,7.890956716,8.168486417,98.10955045,4.671883355,12.50524286,1.786463266,0,0,0,46,6,3.385,26,1.2229,2.118136922,2.946324812,3.58173391,4.129346361,5.488026661,0,0,0,0,73.6156376,83.32655336,88.96345481,52.48738492,17.9514212,5.576186321,0,0,0,0,277.7186352,345.4274624,422.7224234,354.6547899,232.1067643,170.5884182,0,0,0,0,8.892335553,15.05679023,20.89042001,25.03377489,28.23793652,36.87110955,0,0,0,0,2.107286619,2.793656505,3.591862799,3.393853852,2.665608797,2.440047476,0,0,0,0,175.5375183,329.4308919,460.9480308,586.3976925,724.1548729,1014.833004,0,0,0,0,2.90705,3.938085829,5.865091075,6.411883499,5.683300326,5.488026661,0,0,0,0,0.4370085,0.587139672,0.76088883,0.733290341,0.593504689,0.56197393,0,0,0,0,354.5279456,147.7386067,10.51143688,148.6263268,-61.93544601,-9.570208684,205.9016188,209.6740527,20.08164556,0.704610822,0.293624868,0.020891081,0.295389178,-0.123094346,-0.019020426,178.3822505,74.33531113,5.288874373,74.78197131,-31.16308427,-4.815291387,0.128240185,0.238663013,4.039796235,5.479109846,503.1542724,0,1,0,395.3145785,19.88251942,7.339181199,531.3577082,23.05119754,8.099576812,655.5834736,25.60436435,8.687123567,1.310033407,1.307020727,363.2903902,286.2986263,116.8443387,1.268921178,3.109182648,2.450256723,3.837464732,3.477616438,6.454645435,0.856054442,4.067936095,4.914017717,5.046726241,15.95109288,4.110236884,7.7818954,9.118503607,8.871124823,4.024302094,1.65651714,0.11409806,1.628283808,2.42E-13,6.96E-48,3.86E-104,4.12E-182,8.49E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0.341404395,4.913792679,0.206103661,6.783699482,1.578332741,1.370271767,0.661811076,0.368368444,0.951360007,0.023760617,8.35E-04,0.011468136,1.71E-15,4.90E-50,2.72E-106,2.90E-184,5.98E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,1.102068962,4.91380822,0.808600607,8.03905114,1.768872405,2.328299734,1.936337604,1.435566766,1.279082203,0.152649862,0.008454788,0.119506819,1.78E-14,5.11E-49,2.83E-105,3.02E-183,6.23E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,3.839800494,4.913993188,4.613982311,15.1719835,3.839809904,7.265306885,8.441006938,8.114135974,3.730214708,1.48425413,0.101680928,1.450771558,2.16E-13,6.20E-48,3.44E-104,3.67E-182,7.57E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,1.62424134,4.913827913,1.33668176,9.083686763,1.996549995,3.090092256,2.945368711,2.366625425,1.592990111,0.301816258,0.018287696,0.25958478,3.87E-14,1.11E-48,6.15E-105,6.57E-183,1.35E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,4.912619538,4.914120747,6.803859279,19.08317982,5.242563397,9.835466303,11.80839157,11.94239206,5.233489563,2.376428498,0.166298926,2.374698905,3.54E-13,1.02E-47,5.63E-104,6.01E-182,1.24E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,2.256336612,3.541780767,1.717339383,9.627696366,2.399513549,4.515568049,4.138438764,3.208968798,2.033172262,0.487666942,0.030786331,0.437782752,6.52E-14,1.87E-48,1.04E-104,1.11E-182,2.28E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,3.593986084,1.574079429,0.55786763,0.627668189,0.274903564,0.509271799,0.466133779,0.490385621,5.725933143,8.540316024,17.42222884,0.441502283,1.465791198,2.725995987,0.994293221,0.203284097,0.694773813,0.253415227,0.295975077,0.194110348,0.066078986,3.923573306,3.466714964,7.941277482,0.54216072,0.55616441,3.069734045,1.22544697,0.344231116,0.661664443,0.264138416,0.373414918,0.289615199,0.188347492,4.639412131,5.240331237,11.1746707,0.492496665,0.851377609,3.572404659,1.559807697,0.549099436,0.628799261,0.274550624,0.50325302,0.458159021,0.47525386,5.681311792,8.390359194,17.13139816,0.443198892,1.436665901,3.223403911,1.328085603,0.407001445,0.650077602,0.267840683,0.411006909,0.33758672,0.262607534,4.958490959,6.133419135,12.8342655,0.475116403,1.011201163,3.661577454,1.618737277,0.58531595,0.624242755,0.27596986,0.528359898,0.491495071,0.539257885,5.865630681,9.01778435,18.35265988,0.436364132,1.559112854,3.576641443,1.567558688,0.548685894,0.628265071,0.275353956,0.504793476,0.464352251,0.473761094,5.692886025,8.429145417,17.19829123,0.442397607,1.442906821 +UMLS0209,L,"2,3-Dimethyl-1-Pentene",CCC(C)C(=C)C,18851,,"Sandia, UML",[1],C7H14,PubChem,,15.1,0,1.9286,3.71949796,34.1224,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1371.110168,1261.140054,536.942617,98.129808,6.096384,0,0,3399.790734,4147.41404,5680.578881,6461.34309,4767.043981,1723.781626,186.5024666,0,0,146.842108,144.889944,255.226976,326.755032,415.904932,284.171328,40.310784,0,0,25.74688067,32.32302034,46.13219522,55.92372116,49.08900354,22.01839903,2.667677429,0,0,3476.407621,2904.481805,5651.532332,7140.02888,10083.0827,7607.565863,1109.505912,0,0,42.8125,47.375,65,93.25,102,50,6,0,0,48.76541633,51.7541979,38.08639356,27.41608813,8.949043617,2.336424,1.016064,0,0,161.8947969,207.370702,157.7938578,140.4639802,79.45073302,41.04241966,31.08374443,0,0,6.992481333,7.2444972,7.089638222,7.103370261,6.931748867,6.765984,6.718464,0,0,1.226041937,1.616151017,1.281449867,1.215733069,0.818150059,0.524247596,0.444612905,0,0,165.54322,145.2240902,156.9870092,155.2180191,168.0513783,181.1325206,184.917652,0,0,2.038690476,2.36875,1.805555556,2.027173913,1.7,1.19047619,1,0,0,0.046161903,-0.014766169,0.007523544,-0.010980377,-0.033035299,0.020835848,0.007341501,0,0,564.9747087,-53.80711511,121.066009,-430.4569209,-363.198027,363.198027,80.71067267,0,0,1050.594596,-100.0566282,225.1274134,-800.4530256,-675.3822403,675.3822403,150.0849423,0,0,0.110674667,-0.010540444,0.023716,-0.084323556,-0.071148,0.071148,0.015810667,0,0,4.696646663,-0.447299682,1.006424285,-3.578397457,-3.019272855,3.019272855,0.670949523,0,0,25.51225921,-2.429738973,5.466912688,-19.43791178,-16.40073807,16.40073807,3.644608459,0,0,6.142857143,-2.272959184,1.335459184,0.136479592,-4.658163265,1.767857143,0.619897959,0,0,0.002198186,-7.38E-04,2.09E-04,-2.39E-04,-5.51E-04,4.96E-04,0.001223583,0,0,26.90355756,-2.690355756,3.362944694,-9.35775915,-6.05330045,8.647572071,13.45177878,0,0,50.0283141,-5.00283141,6.253539262,-17.40115273,-11.25637067,16.08052953,25.01415705,0,0,0.005270222,-5.27E-04,6.59E-04,-0.001833121,-0.0011858,0.001694,0.002635111,0,0,0.223649841,-0.022364984,0.02795623,-0.077791249,-0.050321214,0.071887449,0.111824921,0,0,1.214869486,-0.121486949,0.151858686,-0.4225633,-0.273345634,0.390493763,0.607434743,0,0,0.292517007,-0.113647959,0.037096088,0.002966948,-0.077636054,0.042091837,0.103316327,0,0,-0.335871699,0.095072639,-0.108591297,-0.250473956,0.22568229,0.556633305,0,0,-0.1,0.125,-0.347826087,-0.225,0.321428571,0.5,0,0,-0.1,0.125,-0.347826087,-0.225,0.321428571,0.5,0,0,-0.1,0.125,-0.347826087,-0.225,0.321428571,0.5,0,0,-0.1,0.125,-0.347826087,-0.225,0.321428571,0.5,0,0,-0.1,0.125,-0.347826087,-0.225,0.321428571,0.5,0,0,-0.388517442,0.12681686,0.010142821,-0.265406977,0.143895349,0.353197674,0,0,1.62814691,0.769096187,1.191883164,1.232718218,0.470842204,0.197417978,0,0,1.5,1.011904762,1.49068323,1.071428571,0.255102041,0,0,0,1.5,1.011904762,1.49068323,1.071428571,0.255102041,0,0,0,1.5,1.011904762,1.49068323,1.071428571,0.255102041,0,0,0,1.5,1.011904762,1.49068323,1.071428571,0.255102041,0,0,0,1.5,1.011904762,1.49068323,1.071428571,0.255102041,0,0,0,1.75,0.618943798,0.931180485,1.451550388,0.542635659,0,0,0,24.24774385,12.12387192,17.0896389,24.24774385,3.463963407,12.12388698,-1.07E-14,0.123236486,0.017605212,-1.465555085,44.05638104,6.29376872,2.649829141,24.24774385,12.12387192,17.0896389,24.24774385,3.463963407,12.12388698,-1.07E-14,0.123236486,0.017605212,-1.465555085,44.05638104,6.29376872,2.649829141,24.24774385,12.12387192,17.0896389,24.24774385,3.463963407,12.12388698,-1.07E-14,0.123236486,0.017605212,-1.465555085,44.05638104,6.29376872,2.649829141,24.24774385,12.12387192,17.0896389,24.24774385,3.463963407,12.12388698,-1.07E-14,0.123236486,0.017605212,-1.465555085,44.05638104,6.29376872,2.649829141,24.24774385,12.12387192,17.0896389,24.24774385,3.463963407,12.12388698,-1.07E-14,0.123236486,0.017605212,-1.465555085,44.05638104,6.29376872,2.649829141,24.24774385,12.12387192,17.0896389,24.24774385,3.463963407,12.12388698,-1.07E-14,0.123236486,0.017605212,-1.465555085,44.05638104,6.29376872,2.649829141,38.25689438,18.89630433,27.47263607,37.92526172,5.417894532,18.89630435,-0.464285714,0.185875667,0.026553667,-1.177874099,25.01253362,3.573219088,2.253563931,0,11.79,12.21004853,-0.303952071,0.116441427,5.604899281,9.068252625,6,20,19,19,5,1,1,0,0,1,15.304898,3.594808518,2.924365705,2.681063553,2.333552793,1.729949961,1.196484347,0.389351363,0.083923071,1.925649086,1.519127486,1.376090759,1.249629723,0.829673767,0.445866997,0.083923071,0.083923071,3.615348041,2.964113348,2.732747447,2.405454588,1.81888028,1.298703314,0.509286361,0.270913902,1.873750435,1.433197023,1.28469833,1.134540686,0.696046594,0.296816899,0.270913902,0.270913902,3.708659973,3.140931253,2.95291192,2.704236987,2.184608937,1.718422297,0.961632092,0.943918427,1.727884974,1.176413492,0.995208572,0.76031856,0.252348167,0.204280867,0.943918427,0.943918427,3.630638274,2.993542207,2.770496013,2.457539916,1.883135558,1.372604289,0.593527419,0.399277246,1.841295561,1.378015174,1.224719456,1.058262671,0.606771423,0.196755918,0.399277246,0.399277246,3.755911509,3.22748253,3.055034817,2.838982085,2.346819753,1.903191427,1.207644823,1.207644823,1.684547262,1.095934025,0.898384339,0.631337262,0.09608908,0.382853602,1.141885182,1.207644823,3.614818061,3.121531281,2.828373512,2.514291495,1.887824891,1.479397162,0.549579979,0.509090909,1.911982192,1.324246326,1.056913759,0.987018768,0.572015797,0.089094084,0.509090909,0.509090909,0,0,1,1,0,3,1,0,1,0,0,0,0,0,0,0,0,0,0,1.207106781,0.25,0,0,1.050476816,0.204124145,0,0,1.707106781,1,0,1.254600961,0.637136847,0,5.914213562,3.121320344,2.871320344,1.914213562,0.25,0,0,0,0.844887652,0.520220057,0.358915043,0.319035594,0.25,0,0,0,5.491563832,2.757583597,2.546258731,1.463816784,0.144337567,0,0,0,0.784509119,0.459597266,0.318282341,0.243969464,0.144337567,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,34,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,4,0,0,2,0,0,0,0,0,0,0,0,3,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.69625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.365347222,0.288541667,0,0,0.955833333,0,0,0.653888889,0,0,0,0,0,0,0,0,6.529444444,3.703194444,1.177083333,0,1.993055556,0,0,0,0,0,0,0,0.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.993055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.365347222,0.288541667,0,0,0.225625,0,0,0.288541667,0,0,0,0,0,0,0,0,2.168333333,3.703194444,1.177083333,0,1.993055556,0,0,0,0,0,0,0,0.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.703194444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.365347222,0.288541667,0,0,0.243402778,0,0,0.365347222,0,0,0,0,0,0,0,0,2.180555556,3.703194444,1.177083333,0,1.993055556,0,0,0,0,0,0,0,0.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.75,1.964285714,0.365347222,3.703194444,0.090277778,0.347222222,5.208815,0.902777778,0.703194444,2.465277778,0.902777778,0.703194444,2.465277778,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0,0.14286,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.3762,0.91089,7.84027,1.46407,0.20915,2.59933,0.37133,3.12132,0.52199,0.07457,0.29268,0.04181,0.29268,0.04181,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.127387765,2.748063851,3.141619208,2.932461236,2.191067441,19.28421252,44.67514307,57.70934087,65.97400337,61.58168595,46.01241626,0.209068641,0.484342902,0.62565238,0.715253226,0.667634179,0.498840869,3.474021589,2.264929658,1.644253572,1.250698215,1.459856187,2.201249982,0.209068641,0.484342902,0.62565238,0.715253226,0.667634179,0.498840869,6.73287657,15.74885826,17.81640094,18.21303588,15.70314021,6.806414673,27.64912502,18.81705526,16.36808494,15.95461758,14.69966974,8.312839875,7,2.34375,2.666666667,7,2,5,2.23,1.0519,2.039648903,4.298279727,0,2.828427125,0.5,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.159,0.147,0.088,0.146,2.748,8,6,1,0,0,0,0,0,0,28,2.079441542,2.302585093,2.302585093,1.098612289,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,3,1.111111111,0.125,0,0,0,0,0,0,0,0.5,0.138888889,0.020833333,0,0,0,0,0,0,0,0.659722222,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,0,126.9918924,3.807354922,3.36729583,4.043051268,4.844187086,5.549076085,6.354370041,7.063903961,7.870547845,8.580918882,9.387900612,70.06125161,2.564949357,0,3.80666249,0,5.262690189,0,6.767343125,0,8.282230063,8.532278829,98.10955045,4.671883355,12.44270382,1.777529117,0,0,0,44,6,3.735,28,1.2236,2.128273493,2.955360339,3.512902526,3.977693303,5.88270204,0,0,0,0,73.7959167,92.30288371,86.26749321,35.02373153,11.18692623,5.977201766,0,0,0,0,278.2003652,367.276639,429.9829175,289.6952343,177.5345353,182.8564068,0,0,0,0,8.897867644,15.15726891,21.02624151,24.37597088,26.98115119,39.52272188,0,0,0,0,2.110244062,2.917181255,3.683287078,2.939794509,2.199489397,2.615525242,0,0,0,0,175.6104775,329.2192229,456.3427875,588.4998736,715.0618734,1087.815449,0,0,0,0,2.94925625,4.031754994,6.120575664,6.089784237,5.003674726,5.88270204,0,0,0,0,0.43759575,0.611177716,0.780674286,0.641335041,0.495963888,0.602388689,0,0,0,0,332.4722634,142.7893348,10.0395173,138.8457962,-59.63113635,-8.848642653,193.6264672,202.4204711,18.88815995,0.705409557,0.302957487,0.021300939,0.294590443,-0.126519948,-0.018774249,156.7001821,67.2991922,4.731805814,65.44053125,-28.10523148,-4.170525086,0.133110846,0.237778982,2.959407983,4.337140436,471.3180596,0,1,0,393.1393776,19.82774263,7.32569526,529.3948196,23.00858143,8.089590956,672.7778405,25.93796138,8.762416508,1.614441754,1.548464708,290.8915689,288.2890226,113.973222,1.009027559,2.552279945,2.529445228,3.686870922,3.477616438,6.522108179,0.875453575,4.149594424,4.863402428,3.084841805,23.96954976,7.400021118,9.346852094,12.02629524,6.708010019,3.13400236,0.660501497,0.648627375,1.904596213,2.41E-10,5.90E-42,2.78E-95,2.53E-170,4.43E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348257413,4.863167187,0.180557288,8.282387172,3.088913267,0.417230815,0.760548217,0.200758733,0.802990498,0.055423534,0.035200744,0.013414227,1.70E-12,4.15E-44,1.96E-97,1.78E-172,3.12E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,1.124191339,4.863183385,0.634476192,10.38972176,3.435009371,1.581698753,2.575922696,0.886736287,0.993018799,0.178919051,0.126306161,0.139786586,1.77E-11,4.33E-43,2.04E-96,1.85E-171,3.25E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,3.916879296,4.86337677,2.857902722,22.62190672,6.947224555,8.567317154,11.16531871,6.082419421,2.890199663,0.623454177,0.599007543,1.696960936,2.15E-10,5.25E-42,2.48E-95,2.25E-170,3.95E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.656845653,4.863203953,0.987321796,12.16139474,3.831117355,2.576519953,3.965890753,1.548347914,1.20832154,0.263698947,0.198974555,0.303635145,3.85E-11,9.40E-43,4.43E-96,4.03E-171,7.06E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,5.011233796,4.863510209,3.980890848,29.39899977,9.290974802,12.49752541,15.40859706,9.282283186,4.151485264,0.797676588,0.84604765,2.777674579,3.52E-10,8.60E-42,4.05E-95,3.69E-170,6.46E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,2.26555339,3.183992084,1.250059932,13.03601813,5.412464099,3.879238234,6.24699057,2.185525701,1.885730066,0.513500935,0.271373426,0.493620969,6.25E-11,1.53E-42,7.20E-96,6.55E-171,1.15E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,3.031791306,1.123227508,1.027206931,0.585036518,0.216746156,0.419202518,0.44464,0.407969699,5.182225746,7.67345552,16.35372291,0.377554777,1.271812218,2.390880754,0.601280981,0.56750317,0.671658939,0.168915052,0.259342762,0.128140748,0.124520962,3.559664905,3.135652395,7.51115482,0.507488409,0.512004471,2.644847039,0.809163562,0.750082803,0.62911234,0.192470405,0.317898248,0.23166418,0.217533968,4.204093404,4.730907805,10.54026381,0.44366851,0.767096395,3.015867554,1.110362174,1.015825982,0.586510089,0.215937406,0.414741782,0.434595099,0.398979452,5.142055711,7.540236622,16.08399414,0.379765134,1.248316333,2.758304359,0.901571389,0.831465963,0.614138165,0.200735425,0.346077696,0.287309875,0.267299814,4.491341711,5.529870405,12.08890857,0.421207248,0.900687385,3.081661639,1.163488124,1.062837636,0.580570639,0.219195721,0.433336271,0.476796213,0.436763442,5.3079874,8.097381661,17.21614866,0.370855959,1.346895926,3.036353928,1.108256568,1.015056981,0.588478607,0.214792246,0.420203918,0.433173502,0.398375312,5.159667477,7.572075002,16.1474693,0.38271791,1.251752732 +UMLS0210,L,"3,3-Dimethyl-1-Pentene",CCC(C)(C)C=C,18852,,"Sandia, UML","[1], [9]",C7H14,PubChem,,17.4,0,2.1915,4.80267225,39.2359,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1421.570648,1143.122237,844.685524,764.844868,296.666496,36.578304,0,3885.475125,4800.404174,6201.692835,6329.46691,5024.161862,3859.887636,2940.181259,1119.0148,0,167.819552,166.665724,297.134432,346.886708,413.98024,250.741264,211.133952,241.864704,0,29.42500648,37.33900896,51.47559827,56.25113559,48.76361937,34.74825263,29.39274087,16.00606457,0,3973.037281,3337.521256,6633.857827,7689.314923,10258.45896,5979.410829,4784.447057,6657.035473,0,42.80555556,50.66666667,73.5,89.88888889,83.66666667,56,54,36,0,48.76541633,52.3287937,33.84692019,23.32902524,14.07809207,21.24569078,9.8888832,1.016064,0,161.8947969,208.713225,147.6593532,129.1727941,83.73603103,107.219101,98.00604198,31.08374443,0,6.992481333,7.246335826,7.074629333,7.079320571,6.899670667,6.965035111,7.0377984,6.718464,0,1.226041937,1.623435172,1.225609483,1.147982359,0.812726989,0.96522924,0.979758029,0.444612905,0,165.54322,145.1096198,157.9489959,156.9247943,170.9743159,166.0947452,159.4815686,184.917652,0,1.783564815,2.202898551,1.75,1.83446712,1.394444444,1.555555556,1.8,1,0,0.041976541,-7.81E-04,-0.005865297,-0.030700449,0.013009357,0.008308338,-0.027907544,0.022948758,0,645.6853813,-53.80711511,40.35533633,-511.1675936,201.7766817,80.71067267,-564.9747087,484.264036,0,1200.679538,-100.0566282,75.04247115,-950.5379679,375.2123557,150.0849423,-1050.594596,900.5096538,0,0.126485333,-0.010540444,0.007905333,-0.100134222,0.039526667,0.015810667,-0.110674667,0.094864,0,5.367596186,-0.447299682,0.335474762,-4.24934698,1.677373808,0.670949523,-4.696646663,4.025697139,0,29.15686767,-2.429738973,1.822304229,-23.08252024,9.111521147,3.644608459,-25.51225921,21.86765075,0,4.045138889,-1.569878472,1.750868056,-3.384982639,0.532986111,2.307291667,-4.299479167,2.640625,0,0.001749023,-3.40E-05,-1.40E-04,-6.27E-04,2.17E-04,2.31E-04,-9.30E-04,6.37E-04,0,26.90355756,-2.339439787,0.960841341,-10.43199171,3.362944694,2.24196313,-18.83249029,13.45177878,0,50.0283141,-4.350288182,1.786725503,-19.39873404,6.253539262,4.169026175,-35.01981987,25.01415705,0,0.005270222,-4.58E-04,1.88E-04,-0.002043556,6.59E-04,4.39E-04,-0.003689156,0.002635111,0,0.223649841,-0.019447812,0.007987494,-0.086721367,0.02795623,0.018637487,-0.156554889,0.111824921,0,1.214869486,-0.105640825,0.043388196,-0.471071842,0.151858686,0.101239124,-0.85040864,0.607434743,0,0.168547454,-0.068255586,0.041687335,-0.069081278,0.008883102,0.064091435,-0.143315972,0.073350694,0,-0.019425347,-0.079844558,-0.358222815,0.123967885,0.131952083,-0.531869347,0.364469574,0,-0.086956522,0.035714286,-0.387755102,0.125,0.083333333,-0.7,0.5,0,-0.086956522,0.035714286,-0.387755102,0.125,0.083333333,-0.7,0.5,0,-0.086956522,0.035714286,-0.387755102,0.125,0.083333333,-0.7,0.5,0,-0.086956522,0.035714286,-0.387755102,0.125,0.083333333,-0.7,0.5,0,-0.086956522,0.035714286,-0.387755102,0.125,0.083333333,-0.7,0.5,0,-0.404963613,0.247332925,-0.409862486,0.052703863,0.380257511,-0.850300429,0.435193133,0,1.362684452,1.239212783,1.545084133,0.740250766,0.858322138,1.380495031,0.004797343,0,1.5,1.078125,1.496173469,0.6828125,0.838541667,1.725,0,0,1.5,1.078125,1.496173469,0.6828125,0.838541667,1.725,0,0,1.5,1.078125,1.496173469,0.6828125,0.838541667,1.725,0,0,1.5,1.078125,1.496173469,0.6828125,0.838541667,1.725,0,0,1.5,1.078125,1.496173469,0.6828125,0.838541667,1.725,0,0,1.867811159,0.641160842,1.630971359,0.713361946,0.421173104,2.274334764,0,0,34.50297456,17.25148728,26.63429192,34.50297456,4.31287182,17.25148738,0,0.075046949,0.009380869,-2.071713101,29.00200222,3.625250278,2.693891896,34.50297456,17.25148728,26.63429192,34.50297456,4.31287182,17.25148738,0,0.075046949,0.009380869,-2.071713101,29.00200222,3.625250278,2.693891896,34.50297456,17.25148728,26.63429192,34.50297456,4.31287182,17.25148738,0,0.075046949,0.009380869,-2.071713101,29.00200222,3.625250278,2.693891896,34.50297456,17.25148728,26.63429192,34.50297456,4.31287182,17.25148738,0,0.075046949,0.009380869,-2.071713101,29.00200222,3.625250278,2.693891896,34.50297456,17.25148728,26.63429192,34.50297456,4.31287182,17.25148738,0,0.075046949,0.009380869,-2.071713101,29.00200222,3.625250278,2.693891896,34.50297456,17.25148728,26.63429192,34.50297456,4.31287182,17.25148738,0,0.075046949,0.009380869,-2.071713101,29.00200222,3.625250278,2.693891896,41.96311978,20.88833072,32.92581477,41.82327603,5.227909504,20.88833073,-0.186458333,0.174177294,0.021772162,-1.398145255,38.06621136,4.75827642,2.911461638,0,11.89,12.11011416,-0.173257305,0.0497216,5.7984375,7.816780726,7,23,22,22,6,1,1,0,0,1,17.491312,3.580991052,3.241845725,2.473697634,2.333552793,2.333552793,1.667140411,0.99246756,0.35459798,1.91620661,1.711806279,1.249629723,1.249629723,1.234184889,0.652665637,0.376261594,0.083923071,3.601636472,3.272849514,2.529041149,2.405454588,2.405454588,1.74347493,1.112349535,0.480288334,1.863414595,1.642452585,1.134540686,1.134540686,1.132871213,0.528122103,0.218209928,0.270913902,3.695817684,3.410942684,2.767581608,2.704236987,2.704236987,2.063699741,1.589833325,0.959218208,1.715285943,1.438770041,0.81382936,0.76031856,0.76031856,0.124103716,0.324487942,0.943918427,3.617027788,3.295799017,2.569639004,2.457539916,2.457539916,1.79900572,1.198085869,0.569009152,1.830413179,1.598270025,1.066486125,1.058262671,1.058262671,0.44565858,0.111352412,0.399277246,3.743697063,3.478931018,2.879431616,2.838982085,2.838982085,2.208909091,1.793657037,1.207644823,1.67142717,1.375727223,0.708139358,0.631337262,0.631337262,0.014724005,0.523397577,1.150770461,3.61578964,3.307234903,2.629396482,2.581467583,2.581467583,1.858162397,1.245284609,0.654523211,1.838576812,1.548125754,0.993688571,0.926295169,0.926295169,0.351946527,0.026329441,0.551724138,0,0,0,1,1,4,1,1,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.696923425,0,0,0,0.577350269,0.333333333,0.666666667,0.439826406,0.23570226,0.471404521,6.568914101,3.625897658,3.365043969,1.321367205,0.666666667,0.666666667,0,0,0.821114263,0.51798538,0.420630496,0.264273441,0.166666667,0.166666667,0,0,6.36180732,3.259872254,2.911023525,0.997503941,0.471404521,0.471404521,0,0,0.795225915,0.465696036,0.363877941,0.199500788,0.11785113,0.11785113,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,56,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,3,0,1,0,0,0,0,0,0,0,0,4,0,1,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.711759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,0.984930556,0.870833333,0,0.272916667,0,0,0,0,0,0,0,0,8.753611111,0,1.224537037,0,2.282407407,0,0.810092593,0,0,1.429351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.429351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,0.225625,0.290277778,0,0.272916667,0,0,0,0,0,0,0,0,2.14125,0,1.224537037,0,2.282407407,0,0.810092593,0,0,1.429351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.282407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,0.290277778,0.290277778,0,0.272916667,0,0,0,0,0,0,0,0,2.235555556,0,1.224537037,0,2.282407407,0,0.810092593,0,0,1.429351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.5,1.8125,0.290277778,2.282407407,0.061597222,0.810092593,5.153611667,0.523240741,0.282407407,2.072037037,0.523240741,0.282407407,2.072037037,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.5,0.25,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.74717,0.9684,8.87961,1.13244,0.14155,3.03453,0.37932,3.62588,0.59135,0.07392,0.28812,0.03601,0.28812,0.03601,0,7,0,0,0,0,0,0,0.75,0.918295834,1.976489212,3.04248125,3.04248125,3.04248125,2.660401042,22.03910002,47.43574108,73.01955001,73.01955001,73.01955001,63.84962501,0.200284263,0.43108078,0.663578219,0.663578219,0.663578219,0.580244886,3.666666667,2.608473289,1.54248125,1.54248125,1.54248125,1.924561459,0.200284263,0.43108078,0.663578219,0.663578219,0.663578219,0.580244886,6.73287657,16.95949615,18.03382961,18.03382961,18.03382961,13.44886711,31.59900002,18.30285172,18.73446146,18.73446146,18.73446146,16.44198021,8,3.9375,7.2,8,2,6,2.34,1.1928,1.62865057,3.265986324,4,0,1,2.828427125,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.096,0.164,0.169,3.455,8,5,4,4,0,0,0,0,0,36,2.197224577,2.48490665,2.197224577,2.197224577,2.197224577,0,0,0,0,0,3.951243719,1.416666667,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,3,5,0.666666667,2.5,0.666666667,0.25,0.32,0,0,0,0,0,0,0.357142857,0.083333333,0.05,0.08,0,0,0,0,0,0,0.57047619,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,0,144.287877,4,3.433987204,4.043051268,4.779123493,5.424950017,6.150602768,6.814542897,7.529943371,8.204398418,8.912338567,70.292938,2.708050201,0,3.850147602,0,5.105945474,0,6.408528791,0,7.738488122,8.049746291,112.1252005,4.671883355,14.50192071,1.812740089,0,0,0,74,5,3.913,30,1.215576399,2.105583568,2.986458221,3.603757336,4.541215233,5.748666369,6.151188616,0,0,0,74.72146208,82.69446583,77.3622597,61.76251615,114.2002136,57.66791925,6.25000131,0,0,0,279.6692386,343.6092748,406.4784207,334.8293212,545.9750672,569.5890191,191.2019749,0,0,0,8.844031061,14.97058929,21.18395933,24.94599159,31.79772093,40.48746797,41.32653927,0,0,0,2.114274048,2.780398302,3.550966754,3.135451694,4.769626021,5.681760326,2.734897839,0,0,0,174.1781444,327.2231683,465.7135188,610.2137136,741.6877426,914.4555183,1137.463356,0,0,0,2.757742584,3.884153174,5.591750786,5.207964864,7.497482679,10.42153574,6.151188616,0,0,0,0.438165729,0.584379365,0.755176671,0.67747416,1.017249923,1.231650261,0.629881714,0,0,0,360.7221191,163.4040296,9.584305335,81.8922884,-37.09650506,-4.887462993,278.8298307,200.5005346,14.47176833,0.814980518,0.369179193,0.021653849,0.185019482,-0.08381224,-0.011042259,159.660807,72.32497773,4.242151627,36.24670671,-16.41944761,-2.163261537,0.126169413,0.187737457,1.069001201,1.239858867,442.6144075,0,1,0,455.4221431,21.3406219,7.693749598,615.639299,24.8120797,8.506980651,744.3720783,27.28318307,9.062820077,1.734682102,1.734682102,640.6661335,559.2359,126.0096506,1.145609811,5.084262437,4.438040238,4.467247883,4.51988231,7.806463164,0.727138591,6.5276077,5.840172439,2.247873845,18.3017916,9.169399408,10.25403379,4.984378468,9.51591833,9.57630154,4.910157749,5.848353838,2.570280556,6.809229102,0.00466792,0.04124302,1.75E-21,1.59E-62,2.99E-125,1.12E-209,8.33842204E-316,0,0,0,0,0,0,0,0,0,0,0.547822387,5.830332636,0.182159382,7.632425467,2.068380713,0.675127359,0.738413353,1.342869035,2.417803887,0.258783509,0.325961359,0.226621015,0.174799417,3.36E-05,2.90E-04,1.23E-23,1.12E-64,2.10E-127,7.92E-212,5.87282E-318,0,0,0,0,0,0,0,0,0,0,1.768424054,5.830990301,0.592308536,8.533137783,2.778646383,2.301482975,1.419098025,2.348085047,3.379243826,0.736080294,1.160832126,0.64129803,0.825639131,3.44E-04,0.003027004,1.28E-22,1.17E-63,2.19E-126,8.25E-211,6.11993E-317,0,0,0,0,0,0,0,0,0,0,6.161529528,5.839092167,2.117341417,17.19681338,8.473174373,9.551264878,4.658640295,8.780995221,8.961264187,4.458373678,5.406847072,2.404263545,6.154238405,0.00415953,0.036746789,1.56E-21,1.42E-62,2.66E-125,1.00E-209,7.42938394E-316,0,0,0,0,0,0,0,0,0,0,2.606328833,5.831842862,0.877279801,9.530655708,3.485706359,3.515583348,1.94159614,3.235015789,4.187631901,1.203920048,1.820754629,0.944878766,1.481270894,7.46E-04,0.006575058,2.79E-22,2.53E-63,4.76E-126,1.79E-210,1.3293306E-316,0,0,0,0,0,0,0,0,0,0,7.883030397,5.8447148,2.735798837,22.90602182,12.04412749,12.98818328,6.265154934,12.50334998,12.05425031,6.772561143,7.600491503,3.210559137,9.51689905,0.006805368,0.060149069,2.55E-21,2.32E-62,4.35E-125,1.64E-209,1.21608049E-315,0,0,0,0,0,0,0,0,0,0,3.779247693,5.079191244,1.132749748,11.28410755,4.757521236,5.232514768,2.509940778,4.137327983,5.248863318,1.978957041,2.853529796,1.453657171,2.574943654,0.001423772,0.012554356,5.32E-22,4.84E-63,9.09E-126,3.42E-210,2.5382117E-316,0,0,0,0,0,0,0,0,0,0,5.893107475,1.630625676,0.552662695,0.72967046,0.201900168,0.628989453,0.590278065,0.408677762,8.076395846,13.767539,27.15472069,0.59450569,1.62794528,4.794451499,0.92521024,0.200679141,0.809826933,0.156276515,0.416688175,0.190221354,0.053805875,5.920340879,5.583692425,12.39422101,0.7147404,0.660715404,5.230787318,1.205293044,0.340575567,0.771883267,0.17785956,0.495800206,0.322709042,0.155157697,6.776655929,8.496603289,17.42046269,0.6578249,0.973666945,5.86590646,1.613154763,0.543956778,0.73113465,0.201065829,0.623208409,0.577713773,0.395906506,8.023018,13.53090098,26.70117252,0.596701975,1.596828689,5.425286678,1.330180108,0.402884007,0.757896174,0.185822146,0.533274624,0.392980977,0.217166882,7.158350792,9.938277943,20.00408485,0.636844261,1.143422483,5.978266994,1.685323829,0.579916808,0.72520913,0.204442563,0.647260711,0.630485241,0.449965888,8.243507631,14.51956095,28.60591357,0.587813694,1.72771184,5.875187747,1.615982676,0.544093383,0.731175465,0.201111341,0.625177277,0.579713454,0.396083679,8.035263806,13.57009787,26.77109396,0.596763197,1.60097441 +UMLS0211,L,"2,5-dimethyl-2-hexene",CC(C)CC=C(C)C,18853,,UML,[1],C8H16,PubChem,,13,0,0.1642,0.02696164,33.9174,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1349.023542,784.154955,341.197081,87.883488,9.144576,0,3885.475125,5223.921076,7758.63172,7616.018954,5372.71753,2869.090631,1154.675865,279.7536999,0,167.819552,174.20624,341.883496,470.237784,449.544684,288.585892,143.482752,60.466176,0,29.42500648,40.12790896,63.51436973,69.27418059,53.32491663,30.38306877,13.35045943,4.001516144,0,3973.037281,3464.315612,7404.551417,10832.52895,11018.60478,7263.286629,3692.500067,1664.258868,0,36.55555556,44.58333333,74.77777778,96.91666667,86.33333333,54,27,9,0,48.76541633,56.15943233,37.32917321,20.13467973,12.06392238,8.123740024,4.184928,1.016064,0,161.8947969,217.6633782,161.6381608,113.6719247,82.65719278,68.31168168,54.98456499,31.08374443,0,6.992481333,7.258593333,7.122572833,7.018474388,6.916072062,6.871092667,6.832512,6.718464,0,1.226041937,1.671996207,1.323216036,1.033942994,0.820383333,0.723406399,0.635736163,0.444612905,0,165.54322,144.3464838,154.2614879,161.6795365,169.5169966,172.9353959,175.8333365,184.917652,0,1.523148148,1.857638889,1.55787037,1.446517413,1.328205128,1.285714286,1.285714286,1,0,0.032255029,-0.003035682,-0.005196084,-0.015953261,-1.14E-04,0.002817482,5.75E-04,0.004778912,0,645.6853813,6.32E-13,-80.71067267,-390.1015846,-53.80711511,40.35533633,40.35533633,121.066009,0,1200.679538,0,-150.0849423,-725.4105544,-100.0566282,75.04247115,75.04247115,225.1274134,0,0.126485333,2.94E-15,-0.015810667,-0.076418222,-0.010540444,0.007905333,0.007905333,0.023716,0,5.367596186,1.20E-14,-0.670949523,-3.242922696,-0.447299682,0.335474762,0.335474762,1.006424285,0,29.15686767,-1.14E-13,-3.644608459,-17.61560755,-2.429738973,1.822304229,1.822304229,5.466912688,0,2.314814815,-0.805555556,-0.074074074,-0.596450617,-0.097993827,0.449074074,-0.372685185,0.340277778,0,0.00134396,-1.26E-04,-1.08E-04,-2.38E-04,-1.76E-06,6.71E-05,2.74E-05,5.31E-04,0,26.90355756,2.63E-14,-1.681472347,-5.82241171,-0.827801771,0.960841341,1.921682683,13.45177878,0,50.0283141,0,-3.126769631,-10.8270232,-1.539332741,1.786725503,3.573451007,25.01415705,0,0.005270222,1.22E-16,-3.29E-04,-0.00114057,-1.62E-04,1.88E-04,3.76E-04,0.002635111,0,0.223649841,5.02E-16,-0.013978115,-0.048401831,-0.006881534,0.007987494,0.015974989,0.111824921,0,1.214869486,-4.74E-15,-0.075929343,-0.262919516,-0.0373806,0.043388196,0.086776392,0.607434743,0,0.096450617,-0.033564815,-0.00154321,-0.008902248,-0.001507597,0.01069224,-0.017746914,0.037808642,0,-0.094115011,-0.080546888,-0.177169306,-0.001306367,0.04991438,0.020381865,0.395093903,0,9.79E-16,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,0,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,2.32E-14,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,2.24E-15,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,-3.90E-15,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,-0.348,-0.016,-0.092298507,-0.015630769,0.110857143,-0.184,0.392,0,1.532779925,1.175602848,1.172861416,0.87034063,0.749025336,0.770059161,2.03E-05,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.8745,0.874,0.98041791,0.917169231,0.808285714,1.419428571,0,0,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,37.70519329,18.76231887,28.28933508,37.56977663,4.696222078,18.76231889,-0.180555556,0.079288157,0.00991102,-2.027733207,56.65885442,7.082356803,3.229638621,0,11.89,12.11011416,-0.163178056,0.057765027,5.47158872,8.391632439,8,24,24,24,8,0,0,0,0,0,17.491312,3.685989082,3.092821346,2.670943536,2.40090396,2.000350245,1.589017011,0.972022278,0.877194925,1.854241345,1.794539264,1.463589589,1.210734547,0.840676949,0.71947014,0.415151155,0.31945483,3.708521786,3.130308654,2.72129108,2.454611113,2.073125205,1.683813318,1.096376447,1.007695685,1.795418836,1.731647105,1.373528225,1.101293988,0.709085526,0.580517984,0.262315689,0.15462472,3.807905188,3.295836556,2.940502477,2.688356131,2.378721148,2.071155971,1.585579761,1.517481683,1.625089618,1.547459617,1.093912816,0.749844632,0.275686454,0.118286354,0.255749329,0.420338663,3.725133284,3.157994439,2.758334749,2.494130403,2.1260559,1.752167903,1.184872557,1.100332526,1.758190234,1.691652068,1.31486169,1.02906644,0.62139989,0.487591374,0.159423307,0.042618796,3.856582478,3.376213844,3.044680986,2.799242275,2.517788375,2.241595679,1.792298982,1.731344475,1.572877276,1.490407446,1.002393698,0.630707167,0.124872429,0.044424808,0.442305666,0.635939031,3.707159954,3.267489491,2.900482527,2.553728022,2.242082571,1.881001293,1.321967784,1.245365857,1.738938112,1.653368489,1.168678753,0.839162578,0.459893957,0.338590232,0.007169394,0.139155595,0,0,0,0,0,2,4,2,0,0,0,0.11785113,0.201184464,0.166666667,0,0,0.11785113,0.201184464,0.166666667,0.49279928,0,0,0,0.49279928,0,0,0,0.837103655,1.101444348,0.819035594,0.837103655,1.101444348,0.819035594,5.983127663,3.825698503,3.192497939,2.380766767,1.695748723,0.922588984,0.284517797,0,0.747890958,0.478212313,0.319249794,0.216433342,0.141312394,0.115323623,0.094839266,0,5.983127663,3.825698503,3.192497939,2.380766767,1.695748723,0.922588984,0.284517797,0,0.747890958,0.478212313,0.319249794,0.216433342,0.141312394,0.115323623,0.094839266,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,27.61847035,38.59269479,55.2369407,6.904617587,27.61847035,0.056518783,0.007064848,-2.298545802,32.88720351,4.110900438,2.794466905,59,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.678935185,0,5.885925926,0,0,0,2.101805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.308240741,0,1.407083333,0,0,0,1.027731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.497685185,0,0,0,1.074074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.370694444,0.2,1.027731481,5.751583657,0.305601852,0.370694444,1.35787037,0.305601852,0.370694444,1.35787037,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.29657,1.03707,8.29657,0,0,3.82569,0.47821,3.82569,0,0,0.08831,0.01104,0.17431,0.02179,0.208333333,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.772055209,3.522055209,3.371653522,3.538320189,22.03910002,34.03910002,66.52932501,84.52932501,80.91968454,84.91968454,0.200284263,0.309336409,0.604597139,0.768175358,0.735372104,0.77172282,3.666666667,3.166666667,1.812907292,1.062907292,1.213308978,1.046642312,0.200284263,0.309336409,0.604597139,0.768175358,0.735372104,0.77172282,6.73287657,12.73287657,18.67730206,18.51715625,18.36557767,20.36557767,31.59900002,23.74937501,18.28646667,17.30526354,17.74824261,15.16328011,6.125,2.52,1.487603306,2,0,2,2.34,1.1272,0.2,3.150627212,1.807204007,0,3.14734519,5.863977986,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,11,12,8,3,0,0,0,0,60,2.197224577,2.397895273,2.48490665,2.564949357,2.197224577,1.386294361,0,0,0,0,4.110873864,1,0.4,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,3,0.375,0,3,5,0.666666667,2,0.666666667,0.569444444,0.205,0,0,0,0,0,0,0.25,0.066666667,0.094907407,0.068333333,0,0,0,0,0,0,0.479907407,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,0,134.567877,4,3.610917913,4.369447852,5.176149733,5.958424693,6.767343125,7.556427969,8.363808885,9.155989777,9.961614941,76.92012489,2.833213344,0,4.043051268,2.397895273,5.424950017,4.59511985,6.876264612,6.529418838,8.365672384,8.758255243,112.1252005,4.671883355,15.46568272,1.93321034,0,0,0,63,6,4.43,36,1.331436567,2.359396726,3.243611672,4.055944433,4.938835536,5.999901781,7.123235952,0,0,0,94.01800751,103.5980495,75.70316523,58.05997243,47.61186938,27.67860672,7.237663614,0,0,0,334.770918,424.0756512,400.5964559,365.3990016,368.3766294,349.2817916,221.4168458,0,0,0,9.725938808,16.89518985,22.84635661,28.13594281,34.04417173,41.08687589,47.85720431,0,0,0,2.47012952,3.377681623,3.55504946,3.523827429,3.791231275,3.969325409,3.167082628,0,0,0,188.3541604,357.5733739,518.4589114,681.2156734,845.6918415,1047.616799,1317.212067,0,0,0,2.537543875,3.815804947,4.835444498,5.532364657,6.570710313,7.945828732,7.123235952,0,0,0,0.509638069,0.707345234,0.758849995,0.763852018,0.830483224,0.882149491,0.729419361,0,0,0,336.5869644,138.3187765,8.532416337,36.7320249,-15.09484704,-2.052796576,299.8549395,153.4136235,10.58521291,0.901606867,0.370510958,0.022855565,0.098393133,-0.04043418,-0.005498774,125.6543054,51.63702584,3.185313043,13.71276241,-5.63519304,-0.766347943,0.072708993,0.158000752,0.855707029,1.455890798,373.3189893,0,1,0,402.4237007,20.06050101,7.38291469,557.416278,23.60966493,8.229874559,659.8870066,25.68826593,8.706090801,1.406004067,1.039522121,585.9369575,563.6149656,143.3950696,1.039605038,4.086172273,3.930504495,4.502940619,4.389230947,8.333691565,0.898667823,4.462408855,4.441389222,3.592736028,11.49991877,11.00654551,8.182941316,6.528102446,12.83442988,6.097572568,2.642034858,2.099626353,4.67603053,1.3056939,1.89253498,0.418192817,0.062922621,5.23E-20,8.39E-60,2.60E-121,1.55E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0.374499053,4.441098655,0.777061924,4.313564792,1.17147997,3.313757666,0.275858435,0.684410461,0.504494822,0.107869506,0.748566068,1.19545768,0.016617002,0.058445993,0.002945367,4.43E-04,3.69E-22,5.91E-62,1.83E-123,1.09E-206,1.2563210686816E-311,0,0,0,0,0,0,0,0,0,1.208928595,4.441118701,1.13319838,5.488603258,2.438158763,4.009744988,0.98453492,2.148921433,1.119785668,0.42323995,0.906531824,1.70902662,0.114896254,0.254814924,0.030692989,0.004618164,3.84E-21,6.16E-61,1.91E-122,1.14E-205,1.30918341642953E-310,0,0,0,0,0,0,0,0,0,4.212149946,4.441357544,3.343028098,10.95672861,10.14235538,7.779460263,5.944567763,11.73134043,5.568954119,2.415467158,1.97523656,4.39329913,1.168459482,1.717280127,0.372602272,0.056062923,4.66E-20,7.48E-60,2.31E-121,1.38E-204,0.00E+00,0,0,0,0,0,0,0,0,0,1.781738316,4.441144121,1.442582545,6.381886512,3.527673018,4.57597615,1.639533428,3.455805175,1.698455345,0.699682161,1.049951913,2.120036368,0.231308908,0.442470219,0.066669272,0.01003127,8.34E-21,1.34E-60,4.14E-122,2.47E-205,2.84372132224983E-310,0,0,0,0,0,0,0,0,0,5.389004952,4.441522287,4.605099476,13.62833632,14.5038412,9.79651602,8.916635685,17.32660223,8.266241033,3.562014103,2.60750897,5.80194365,1.880026948,2.6129262,0.609894919,0.09176673,7.63E-20,1.22E-59,3.79E-121,2.26E-204,0.00E+00,0,0,0,0,0,0,0,0,0,2.966698408,4.244077618,1.951652004,7.535962332,5.785041382,5.810049988,3.075716652,6.429794715,3.06708517,1.358821736,1.474957681,3.68222592,0.559331849,0.989005156,0.16681376,0.025099328,2.09E-20,3.35E-60,1.04E-121,6.18E-205,7.11529978875355E-310,0,0,0,0,0,0,0,0,0,5.436042046,1.246093516,1.071882018,0.701061352,0.160702952,0.499747203,0.360810018,0.522243898,7.75401758,13.9362777,28.95102764,0.551592028,1.382801119,4.492964474,0.739842273,0.54278748,0.777922461,0.128098035,0.342827396,0.128008532,0.132016071,5.775594227,6.164387036,13.74425301,0.666883691,0.602851999,4.866921714,0.940787412,0.753650639,0.741755046,0.143382995,0.401470442,0.206444744,0.256709458,6.561359766,8.955722379,18.96785148,0.612632569,0.864624644,5.412636675,1.233547336,1.058853382,0.702480261,0.160096217,0.495489931,0.353633417,0.509590617,7.705037392,13.71407797,28.48880785,0.553720391,1.358713965,5.033876407,1.030406656,0.847324744,0.728322056,0.149083496,0.42916871,0.247366767,0.325323878,6.911607808,10.32535685,21.63198706,0.592483084,1.001859356,5.509334951,1.285376817,1.112649703,0.696734931,0.162554453,0.513198557,0.383741699,0.562795101,7.907361472,14.64170546,30.42837527,0.545102397,1.459735357,5.438561603,1.234521359,1.061890348,0.70311317,0.159602536,0.500166534,0.354139352,0.512676693,7.73497331,13.80010285,28.66462968,0.554669755,1.36698258 +UMLS0212,L,1-Ethyl-3-Methylcyclopentane,CCC1CCC(C1)C,19502,,"Sandia, UML",[1],C8H16,PubChem,,-2.2,0,0.6666,0.44435556,32.3582,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1128.97815,1029.163805,711.426747,324.009673,73.744272,6.096384,0,3399.790734,4147.41404,5230.324054,5399.686957,4426.029515,2598.935292,977.7717595,186.5024666,0,146.842108,144.889944,255.179544,322.739636,333.334956,247.87594,122.928192,40.310784,0,25.74688067,32.32302034,44.11934665,48.22798282,42.42184023,27.04645994,11.34768931,2.667677429,0,3476.407621,2904.481805,5640.598507,7452.51301,8033.980219,6185.575821,3169.542215,1109.505912,0,41.27777778,46,62.41666667,76.33333333,78.16666667,58,26,6,0,48.76541633,51.7541979,31.36050417,22.3731262,14.82139056,9.000268694,4.096904,1.016064,0,161.8947969,207.370702,145.2867793,117.3844991,92.20894824,72.192647,54.3206533,31.08374443,0,6.992481333,7.2444972,7.088320667,7.016079043,6.94447825,6.885442778,6.829344,6.718464,0,1.226041937,1.616151017,1.225537407,1.048434409,0.883788338,0.751290554,0.630427184,0.444612905,0,165.54322,145.2240902,156.6832919,162.0111524,167.3745879,171.8215506,176.0856786,184.917652,0,1.965608466,2.3,1.733796296,1.65942029,1.628472222,1.611111111,1.444444444,1,0,0.048701043,-0.009199337,-0.017610822,0.001816656,-7.77E-04,-0.008887812,0.002974695,0.007333598,0,564.9747087,-53.80711511,-121.066009,-147.9695666,-80.71067267,-4.44E-13,40.35533633,80.71067267,0,1050.594596,-100.0566282,-225.1274134,-275.1557275,-150.0849423,1.42E-13,75.04247115,150.0849423,0,0.110674667,-0.010540444,-0.023716,-0.028986222,-0.015810667,-1.01E-15,0.007905333,0.015810667,0,4.696646663,-0.447299682,-1.006424285,-1.230074126,-0.670949523,-4.14E-15,0.335474762,0.670949523,0,25.51225921,-2.429738973,-5.466912688,-6.681782175,-3.644608459,-7.77E-15,1.822304229,3.644608459,0,5.701058201,-1.249685059,-0.896258503,-0.191735954,0.474300831,-0.757369615,-0.775510204,0.545729403,0,0.002319097,-4.60E-04,-4.89E-04,3.95E-05,-1.62E-05,-2.47E-04,1.65E-04,0.001222266,0,26.90355756,-2.690355756,-3.362944694,-3.216729708,-1.681472347,-1.23E-14,2.24196313,13.45177878,0,50.0283141,-5.00283141,-6.253539262,-5.981646251,-3.126769631,3.95E-15,4.169026175,25.01415705,0,0.005270222,-5.27E-04,-6.59E-04,-6.30E-04,-3.29E-04,-2.82E-17,4.39E-04,0.002635111,0,0.223649841,-0.022364984,-0.02795623,-0.026740742,-0.013978115,-1.15E-16,0.018637487,0.111824921,0,1.214869486,-0.121486949,-0.151858686,-0.145256134,-0.075929343,-2.16E-16,0.101239124,0.607434743,0,0.271478962,-0.062484253,-0.02489607,-0.004168173,0.009881267,-0.021038045,-0.0430839,0.0909549,0,-0.198338739,-0.210939615,0.017029261,-0.006984569,-0.106456801,0.071260835,0.527044006,0,-0.1,-0.125,-0.119565217,-0.0625,-4.59E-16,0.083333333,0.5,0,-0.1,-0.125,-0.119565217,-0.0625,7.89E-17,0.083333333,0.5,0,-0.1,-0.125,-0.119565217,-0.0625,-5.34E-15,0.083333333,0.5,0,-0.1,-0.125,-0.119565217,-0.0625,-5.14E-16,0.083333333,0.5,0,-0.1,-0.125,-0.119565217,-0.0625,-1.78E-16,0.083333333,0.5,0,-0.230162413,-0.091705336,-0.015353576,0.036397912,-0.0774942,-0.158700696,0.335034803,0,1.493880561,1.134614324,0.827253336,0.89346431,1.093701366,0.991127461,0.187131557,0,1.5,1.25,1.118012422,0.9375,0.773809524,0.595238095,0,0,1.5,1.25,1.118012422,0.9375,0.773809524,0.595238095,0,0,1.5,1.25,1.118012422,0.9375,0.773809524,0.595238095,0,0,1.5,1.25,1.118012422,0.9375,0.773809524,0.595238095,0,0,1.5,1.25,1.118012422,0.9375,0.773809524,0.595238095,0,0,1.588399072,0.82424594,0.790174518,0.821200696,1.339907193,1.364269142,0,0,27.77145841,13.8857292,21.25186836,27.77145841,3.967351201,13.88573196,-3.55E-15,0.028464335,0.004066334,-2.491372353,25.18451546,3.597787923,2.258360538,27.77145841,13.8857292,21.25186836,27.77145841,3.967351201,13.88573196,-3.55E-15,0.028464335,0.004066334,-2.491372353,25.18451546,3.597787923,2.258360538,27.77145841,13.8857292,21.25186836,27.77145841,3.967351201,13.88573196,-3.55E-15,0.028464335,0.004066334,-2.491372353,25.18451546,3.597787923,2.258360538,27.77145841,13.8857292,21.25186836,27.77145841,3.967351201,13.88573196,-3.55E-15,0.028464335,0.004066334,-2.491372353,25.18451546,3.597787923,2.258360538,27.77145841,13.8857292,21.25186836,27.77145841,3.967351201,13.88573196,-3.55E-15,0.028464335,0.004066334,-2.491372353,25.18451546,3.597787923,2.258360538,27.77145841,13.8857292,21.25186836,27.77145841,3.967351201,13.88573196,-3.55E-15,0.028464335,0.004066334,-2.491372353,25.18451546,3.597787923,2.258360538,41.04362031,20.29165143,31.81843428,40.71482213,5.816403161,20.29165143,-0.46031746,0.090779919,0.01296856,-1.679522019,26.57223735,3.796033907,2.295906873,0,11.79,12.21004853,-0.30682145,0.113406162,5.204858732,8.040754737,6,20,19,19,5,1,1,0,0,1,15.304898,3.528447223,3.108626591,2.687175649,2.147976211,1.726311245,1.058745759,0.858937593,0.083923071,1.908813845,1.60339969,1.415539689,1.045724518,0.825692884,0.40049706,0.329091092,0.083923071,3.553418826,3.141392338,2.740513726,2.216211108,1.815025422,1.172977336,0.991456815,0.270913902,1.851840022,1.5307966,1.318506595,0.930560684,0.691939839,0.245272081,0.165682437,0.270913902,3.664384268,3.287275455,2.969183195,2.504826455,2.180322936,1.632381919,1.507026384,0.943918427,1.686764112,1.316633233,1.013401318,0.55975477,0.248045858,0.284531097,0.402096569,0.943918427,3.571877548,3.165647987,2.779549368,2.265966152,1.879155083,1.25496504,1.08537361,0.399277246,1.81577786,1.484459471,1.254971322,0.854478661,0.602593438,0.14053517,0.054778148,0.399277246,3.719112574,3.358966539,3.07610909,2.637125636,2.342519561,1.830316353,1.722579832,1.207644823,1.636088222,1.250098264,0.912318813,0.433745291,0.091850196,0.477144233,0.613740726,1.207644823,3.58775907,3.268775553,2.829845358,2.335180709,1.902612842,1.338264571,1.149448395,0.525,1.88641186,1.39239751,1.159663159,0.743928278,0.542928815,0.066126651,0.054569777,0.525,0,0,1,1,0,2,2,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.49279928,0.40824829,0.204124145,0.455341801,0.284517797,0.11785113,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.276020882,2.917450212,2.037797401,1.265959019,0.451184464,0.11785113,0,0,0.753717269,0.486241702,0.3396329,0.253191804,0.150394821,0.11785113,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,5,1,0,2,0,0,0,0,0,0,0,0,2,1,2,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.628935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.379652778,0.318472222,0,0,1.201875,0.290277778,0,0.698125,0,0,0,0,0,0,0,0,4.440324074,3.648611111,2.433055556,0,1.980324074,0,0.831018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.980324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.379652778,0.318472222,0,0,0.216944444,0.290277778,0,0.318472222,0,0,0,0,0,0,0,0,2.202546296,3.648611111,1.163194444,0,1.980324074,0,0.831018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.648611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.379652778,0.318472222,0,0,0.290277778,0.290277778,0,0.379652778,0,0,0,0,0,0,0,0,2.237777778,3.648611111,1.269861111,0,1.980324074,0,0.831018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.904761905,0.379652778,3.648611111,0.216944444,0.831018519,5.158884722,0.502314815,0.648611111,2.17787037,0.502314815,0.648611111,2.17787037,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.78895,0.82699,7.07892,1.28997,0.18428,2.74317,0.39188,3.30805,0.56488,0.0807,0.10595,0.01514,0.10595,0.01514,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.258572884,3.368042423,3.558518613,3.653756708,3.140202668,19.28421252,47.43003057,70.72889087,74.72889087,76.72889087,65.94425603,0.209068641,0.51420985,0.766803056,0.810168818,0.831851698,0.714930722,3.474021589,2.133744538,1.024275,0.83379881,0.738560714,1.252114755,0.209068641,0.51420985,0.766803056,0.810168818,0.831851698,0.714930722,6.73287657,17.32307969,19.48810467,18.63319754,19.77605468,13.6134062,27.64912502,16.73002464,14.23974061,14.91476064,13.54772211,12.40486497,7,4.166666667,3.84,7,2,6,2.23,1.0519,0.766309432,4.112265279,1.650963624,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.126,0.12,0.128,0.152,2.932,6,5,3,1,0,0,0,0,0,28,2.079441542,2.079441542,1.945910149,1.791759469,1.098612289,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,0,126.9918924,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,98.10955045,4.671883355,12.66537523,1.809339318,0,0,0,50,5,3.896,24,1.2236,2.129805771,2.902518131,3.544298745,4.373808044,5.65104626,7.169405074,0,0,0,73.7959167,75.34723427,73.27507592,63.54370969,49.14608778,26.28506333,7.284574397,0,0,0,278.2003652,333.6774204,363.485232,360.892372,354.5412125,330.6008761,222.851955,0,0,0,8.897867644,15.15092507,20.41173476,24.70111509,30.24725373,38.70570581,48.16738989,0,0,0,2.110244062,2.757551346,3.178945668,3.348385806,3.555775454,3.751549622,3.187610016,0,0,0,175.6104775,329.820158,466.8904803,586.7549227,741.4022604,986.0860409,1325.749553,0,0,0,2.878066667,3.816783501,4.947816698,6.055845636,7.537408873,8.600969685,7.169405074,0,0,0,0.43759575,0.581389068,0.677404975,0.721075184,0.775475357,0.833535366,0.73414708,0,0,0,364.2395247,162.7496606,11.62269422,158.3754087,-70.76536804,-10.88878038,205.864116,233.5150286,22.5114746,0.69695583,0.311414103,0.022239499,0.30304417,-0.135406326,-0.020835188,190.357015,85.05540306,6.074193567,82.76935371,-36.98303811,-5.690639234,0.126758807,0.229671542,1.996565093,5.966082597,522.6149335,0,1,0,393.1393776,19.82774263,7.32569526,529.3948196,23.00858143,8.089590956,621.4347367,24.92859275,8.53359135,1.935016442,1.821544269,459.47904,415.8861691,74.31854339,1.104819237,6.182562507,5.595994622,3.938405998,4.466158665,7.71775273,0.728051623,4.149594424,4.863373452,3.192991441,18.79427771,7.104149077,6.182163639,6.121920309,8.992474967,5.844307512,1.16881717,1.56691833,1.598253814,1.550431541,0.017449186,6.94E-04,5.32E-27,7.87E-72,2.25E-138,1.24E-226,0,0,0,0,0,0,0,0,0,0,0,0.348257413,4.863166983,0.204812515,6.219078719,0.934435009,0.318072378,0.571785442,0.303560948,1.755224025,0.041325625,0.100413901,0.085980945,0.074062434,1.23E-04,4.89E-06,3.75E-29,5.55E-74,1.58E-140,8.71E-229,0,0,0,0,0,0,0,0,0,0,0,1.124191339,4.863181259,0.70277316,7.674187449,1.355549124,1.151911285,1.489642669,1.277177056,2.2886485,0.170808298,0.319747541,0.309023168,0.276018499,0.001280673,5.09E-05,3.91E-28,5.78E-73,1.65E-139,9.07E-228,0,0,0,0,0,0,0,0,0,0,0,3.916879296,4.863350953,2.970438782,17.63113007,6.429896376,5.694698747,5.706069718,8.177540697,5.487406376,1.064181927,1.448834675,1.47537522,1.424884026,0.015546911,6.18E-04,4.74E-27,7.01E-72,2.00E-138,1.10E-226,0,0,0,0,0,0,0,0,0,0,0,1.656845653,4.863199333,1.077859793,9.003177783,1.893526338,1.832141457,2.183573784,2.183063569,2.744273449,0.289582841,0.494070184,0.487564408,0.444169621,0.002781791,1.11E-04,8.48E-28,1.26E-72,3.58E-139,1.97E-227,0,0,0,0,0,0,0,0,0,0,0,5.011233796,4.863467949,4.061987582,23.54745586,9.937310446,8.132894113,7.74800567,12.33114089,7.286754432,1.596668015,2.036267502,2.087619419,2.055204989,0.025447997,0.001011965,7.76E-27,1.15E-71,3.28E-138,1.80E-226,0,0,0,0,0,0,0,0,0,0,0,2.28124299,3.469318146,1.47668396,9.41706967,2.706833347,2.781747927,3.215664215,3.212326129,3.796462658,0.440800151,0.82006061,0.708069786,0.698334073,0.004809434,1.91E-04,1.47E-27,2.17E-72,6.19E-139,3.41E-227,0,0,0,0,0,0,0,0,0,0,0,4.774810019,1.141436469,0.51862535,0.742020997,0.177382937,0.455917258,0.457933847,0.449923879,6.434871838,8.518457691,17.77991148,0.613031496,1.363774983,4.116625897,0.602360566,0.15699604,0.844265929,0.123536244,0.338954204,0.125489663,0.03919685,4.875982503,3.220555296,8.485839799,0.766398893,0.503640717,4.377899768,0.815418447,0.301804532,0.796688258,0.148389487,0.383291355,0.231258189,0.149247902,5.495122747,5.137187204,11.70969788,0.695032387,0.763797447,4.758502051,1.128003196,0.509772882,0.743948583,0.176353056,0.452807781,0.44702503,0.434485954,6.39627813,8.368386271,17.50092414,0.615922874,1.334318766,4.494419345,0.910894259,0.365785433,0.778780492,0.157837225,0.403951906,0.289454132,0.221080496,5.771099037,6.071125758,13.3397287,0.668170737,0.914486534,4.82586996,1.183512014,0.546316459,0.736133611,0.180531796,0.465722592,0.492980771,0.499933205,6.555698432,8.994499355,18.67047063,0.604200417,1.458636568,4.798796213,1.126402042,0.509155836,0.745808537,0.175060624,0.460515584,0.445753951,0.433304218,6.434354091,8.422223124,17.60875486,0.618712806,1.339573753 +UMLS0213,L,4-Methyl-1-Hexene,CCC(C)CC=C,19589,,"Sandia, UML",[1],C7H14,PubChem,,12.4,0,0.202,0.040804,31.7974,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1349.023542,927.403012,270.591552,24.385536,0,0,3885.475125,5223.921076,7758.63172,7616.018954,5765.150688,3165.077171,746.0098663,0,0,167.819552,174.20624,341.883496,470.237784,450.366736,330.469632,161.243136,0,0,29.42500648,40.12790896,63.51436973,69.27418059,55.66920373,34.72004754,10.67070972,0,0,3973.037281,3464.315612,7404.551417,10832.52895,10960.48149,8240.145211,4438.023649,0,0,36.55555556,44.52777778,75.08333333,97.66666667,89.33333333,62,24,0,0,48.76541633,56.15943233,37.32917321,20.13467973,14.26773865,5.637324,1.016064,0,0,161.8947969,217.6633782,161.6381608,113.6719247,88.69462596,65.93910774,31.08374443,0,0,6.992481333,7.258593333,7.122572833,7.018474388,6.928719015,6.884784,6.718464,0,0,1.226041937,1.671996207,1.323216036,1.033942994,0.856449288,0.723334324,0.444612905,0,0,165.54322,144.3464838,154.2614879,161.6795365,168.6227921,171.6696919,184.917652,0,0,1.523148148,1.855324074,1.564236111,1.457711443,1.374358974,1.291666667,1,0,0,0.032226476,-0.003076068,-0.004922712,-0.015075592,0.002105701,-0.009823727,0.014679159,0,0,645.6853813,6.47E-13,-80.71067267,-390.1015846,-13.45177878,-161.4213453,322.8426907,0,0,1200.679538,0,-150.0849423,-725.4105544,-25.01415705,-300.1698846,600.3397692,0,0,0.126485333,2.93E-15,-0.015810667,-0.076418222,-0.002635111,-0.031621333,0.063242667,0,0,5.367596186,1.22E-14,-0.670949523,-3.242922696,-0.111824921,-1.341899046,2.683798093,0,0,29.15686767,-1.14E-13,-3.644608459,-17.61560755,-0.607434743,-7.289216918,14.57843384,0,0,2.314814815,-0.861111111,0.231481481,-0.642746914,0.114969136,-0.907407407,0.907407407,0,0,0.00134277,-1.28E-04,-1.03E-04,-2.25E-04,3.24E-05,-2.05E-04,6.12E-04,0,0,26.90355756,2.69E-14,-1.681472347,-5.82241171,-0.206950443,-3.362944694,13.45177878,0,0,50.0283141,0,-3.126769631,-10.8270232,-0.384833185,-6.253539262,25.01415705,0,0,0.005270222,1.22E-16,-3.29E-04,-0.00114057,-4.05E-05,-6.59E-04,0.002635111,0,0,0.223649841,5.07E-16,-0.013978115,-0.048401831,-0.001720383,-0.02795623,0.111824921,0,0,1.214869486,-4.74E-15,-0.075929343,-0.262919516,-0.00934515,-0.151858686,0.607434743,0,0,0.096450617,-0.03587963,0.004822531,-0.009593238,0.001768756,-0.018904321,0.037808642,0,0,-0.095451567,-0.076376824,-0.167570662,0.024125808,-0.152417019,0.455499953,0,0,1.00E-15,-0.0625,-0.21641791,-0.007692308,-0.125,0.5,0,0,0,-0.0625,-0.21641791,-0.007692308,-0.125,0.5,0,0,2.32E-14,-0.0625,-0.21641791,-0.007692308,-0.125,0.5,0,0,2.26E-15,-0.0625,-0.21641791,-0.007692308,-0.125,0.5,0,0,-3.90E-15,-0.0625,-0.21641791,-0.007692308,-0.125,0.5,0,0,-0.372,0.05,-0.099462687,0.018338462,-0.196,0.392,0,0,1.533778602,1.175116688,1.166274363,0.883331288,0.98201531,0.00375257,0,0,1.4375,1.2578125,1.222947761,0.8625,0.8984375,0,0,0,1.4375,1.2578125,1.222947761,0.8625,0.8984375,0,0,0,1.4375,1.2578125,1.222947761,0.8625,0.8984375,0,0,0,1.4375,1.2578125,1.222947761,0.8625,0.8984375,0,0,0,1.4375,1.2578125,1.222947761,0.8625,0.8984375,0,0,0,1.8975,0.81075,1.083402985,0.989353846,1.1385,0,0,0,31.85380639,15.92690319,23.83756752,31.85380639,3.981725799,15.92690359,8.88E-15,0.066697328,0.008337166,-2.16607231,79.10525932,9.888157415,3.49662349,31.85380639,15.92690319,23.83756752,31.85380639,3.981725799,15.92690359,8.88E-15,0.066697328,0.008337166,-2.16607231,79.10525932,9.888157415,3.49662349,31.85380639,15.92690319,23.83756752,31.85380639,3.981725799,15.92690359,8.88E-15,0.066697328,0.008337166,-2.16607231,79.10525932,9.888157415,3.49662349,31.85380639,15.92690319,23.83756752,31.85380639,3.981725799,15.92690359,8.88E-15,0.066697328,0.008337166,-2.16607231,79.10525932,9.888157415,3.49662349,31.85380639,15.92690319,23.83756752,31.85380639,3.981725799,15.92690359,8.88E-15,0.066697328,0.008337166,-2.16607231,79.10525932,9.888157415,3.49662349,31.85380639,15.92690319,23.83756752,31.85380639,3.981725799,15.92690359,8.88E-15,0.066697328,0.008337166,-2.16607231,79.10525932,9.888157415,3.49662349,37.76267142,18.79105793,28.79945179,37.62725476,4.703406844,18.79105795,-0.180555556,0.054655292,0.006831911,-2.325367395,147.6062803,18.45078504,3.995638769,0,11.9,12.10012615,-0.15115338,0.048993119,6.02075,8.706005388,8,24,24,24,8,0,0,0,0,0,17.491312,3.675337031,3.162880705,2.459820995,2.333997497,2.333552793,1.335478412,1.19006016,0.798700894,1.891107712,1.724171079,1.497529069,1.249629723,0.757863935,0.703645119,0.508418841,0.286078446,3.698215037,3.198369785,2.510897621,2.405454588,2.386142915,1.435893727,1.30885592,0.932819665,1.835178193,1.655976007,1.414147725,1.134540686,0.62194973,0.57099125,0.355986113,0.12056834,3.799174666,3.354715944,2.734801489,2.704236987,2.615367568,1.845749736,1.778468089,1.455002604,1.674403251,1.452583651,1.159741793,0.76031856,0.172849073,0.138250509,0.166208895,0.455768274,3.715085026,3.224551543,2.548571849,2.457539916,2.42465188,1.508311693,1.39352899,1.027913344,1.799889715,1.612285733,1.360189956,1.058262671,0.531260614,0.482883961,0.253006478,0.008157148,3.848632591,3.430602176,2.841861735,2.838982085,2.725129198,2.025396568,1.978039144,1.673301526,1.62545086,1.38842831,1.078079918,0.631337262,0.016182923,0.010395142,0.357026849,0.671270843,3.701067363,3.319961147,2.70797144,2.587788018,2.469200804,1.620992982,1.537363943,1.176907675,1.778322252,1.576450563,1.242567517,0.813234598,0.390806661,0.353544604,0.085717294,0.172021696,0,0,0,0,0,2,4,2,0,0,0,0.144337567,0.083333333,0.166666667,0,0,0.144337567,0.083333333,0.166666667,0.5,0,0.166666667,0,0.5,0,0.166666667,0,1.040440115,1.054737854,0.804737854,1.040440115,1.054737854,0.804737854,5.983127663,3.804530453,3.288553642,2.342638956,1.624056764,0.638071187,0.333333333,0,0.747890958,0.475566307,0.328855364,0.212967178,0.147641524,0.106345198,0.083333333,0,5.983127663,3.804530453,3.288553642,2.342638956,1.624056764,0.638071187,0.333333333,0,0.747890958,0.475566307,0.328855364,0.212967178,0.147641524,0.106345198,0.083333333,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,27.01237767,39.55975057,54.02475533,6.753094417,27.01237767,0.19230235,0.024037794,-1.318949124,26.83664572,3.354580715,2.631814665,51,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.686481481,0,5.973240741,0,0,0,2.006944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.343240741,0,1.488935185,0,0,0,0.94212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.343240741,0,1.497685185,0,0,0,1.064814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.343240741,0.2,0.94212963,5.756613426,0.391203704,0.343240741,1.372962963,0.391203704,0.343240741,1.372962963,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.37044,1.0463,8.37044,0,0,3.80452,0.47556,3.80452,0,0,0.10948,0.01369,0.19548,0.02444,0.208333333,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.605388542,2.90726823,2.599483982,2.553508855,22.03910002,34.03910002,62.52932501,69.77443751,62.38761556,61.28421252,0.200284263,0.309336409,0.568246423,0.634087679,0.566958613,0.556931241,3.666666667,3.166666667,1.979573959,1.677694271,1.985478519,2.031453646,0.200284263,0.309336409,0.568246423,0.634087679,0.566958613,0.556931241,6.73287657,12.73287657,16.67730206,15.7197854,13.92330755,15.36325785,31.59900002,23.74937501,20.87142917,21.8948625,24.77671392,22.73934896,6.125,2.52,1.487603306,3,0,3,2.34,1.1272,0.5,2.309401077,2.828427125,0,4.242640687,4.298279727,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,11,11,6,4,0,0,0,0,58,2.197224577,2.397895273,2.48490665,2.48490665,1.945910149,1.609437912,0,0,0,0,4.077537444,1,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,3,0.375,0,2,4,1,1.5,0.888888889,0.277777778,0.25,0,0,0,0,0,0,0.1875,0.088888889,0.046296296,0.0625,0,0,0,0,0,0,0.385185185,15.92690319,23.83756752,31.85380639,3.981725799,15.92690359,0.066697328,0.008337166,-2.16607231,79.10525932,9.888157415,3.49662349,0,134.567877,4,3.610917913,4.369447852,5.164785974,5.948034989,6.744059186,7.533158807,8.328692584,9.119430497,9.91457585,76.73310365,2.833213344,0,4.043051268,2.397895273,5.424950017,4.442651256,6.884486652,6.293419279,8.384118837,8.747193184,112.1252005,4.671883355,15.42009782,1.927512228,0,0,0,62,6,4.43,36,1.331436567,2.361300217,3.186085401,3.878143369,4.785043997,5.957971459,0,0,0,0,94.01800751,99.7734683,72.53775876,67.37613952,30.46453868,6.053680313,0,0,0,0,334.770918,415.3042056,385.5592064,381.3377766,341.8421884,185.1960622,0,0,0,0,9.725938808,16.89642634,22.4121988,26.9672242,33.06958913,40.02841676,0,0,0,0,2.47012952,3.33102485,3.435276901,3.558545845,3.671660077,2.648990997,0,0,0,0,188.3541604,358.6313618,511.5094444,646.8158926,811.4429726,1101.734093,0,0,0,0,2.547841022,3.804505852,4.717439972,5.513641373,6.410141855,5.957971459,0,0,0,0,0.509638069,0.698412789,0.73391064,0.76743503,0.807625684,0.610096277,0,0,0,0,317.8274675,130.612886,8.102890631,56.32453476,-23.14686674,-3.106911158,261.5029327,153.7597527,11.20980179,0.849460822,0.349090437,0.021656681,0.150539178,-0.061864875,-0.008303874,118.9157833,48.8690728,3.031712754,21.07393746,-8.660446536,-1.162457031,0.073275761,0.15163766,0.86237728,1.282807176,374.1520022,0,1,0,402.4237007,20.06050101,7.38291469,557.416278,23.60966493,8.229874559,686.1029646,26.19356724,8.819888577,1.253665701,1.115466794,548.7072723,459.5138786,154.4392972,1.194103808,3.55289931,2.97536888,4.358474168,4.414624753,7.584801505,0.718107864,4.462408855,4.441984107,3.617218777,14.61319239,11.20637269,10.87799145,10.84929244,13.53577944,4.313157539,4.386722696,2.632696849,3.033357828,1.9163486,1.402658063,3.26E-08,4.21E-37,1.05E-87,5.03E-160,4.66E-254,0,0,0,0,0,0,0,0,0,0,0,0.374499053,4.441102845,0.772239604,6.429784818,1.068708374,2.189071334,0.475394432,0.72274487,0.537945982,0.08481058,0.802748592,0.101350427,0.035517064,0.009879035,2.30E-10,2.96E-39,7.38E-90,3.54E-162,3.28E-256,0,0,0,0,0,0,0,0,0,0,0,1.208928595,4.441162362,1.122162786,7.902724853,2.015646867,3.182226299,1.73623702,2.330601266,0.908184421,0.460477389,1.075215636,0.428131422,0.197222949,0.102947166,2.39E-09,3.09E-38,7.69E-89,3.69E-161,3.42E-255,0,0,0,0,0,0,0,0,0,0,0,4.212149946,4.441887575,3.361402603,14.04235244,10.18869308,10.06996857,9.911140888,12.39493431,3.940406723,3.945614262,2.484915488,2.757742482,1.722594221,1.249743081,2.90E-08,3.75E-37,9.33E-88,4.48E-160,4.15E-254,0,0,0,0,0,0,0,0,0,0,0,1.781738316,4.441238959,1.430902701,8.972484322,2.998946804,4.095724504,2.856135268,3.733508843,1.281217483,0.867547247,1.292263835,0.733130938,0.374208291,0.223615001,5.20E-09,6.71E-38,1.67E-88,8.02E-161,7.42E-255,0,0,0,0,0,0,0,0,0,0,0,5.389004952,4.442389871,4.657096767,16.80607387,15.42521298,14.18321983,14.66695743,18.16452669,5.854102018,6.221768703,3.220459831,4.162974388,2.72299099,2.045644961,4.75E-08,6.14E-37,1.53E-87,7.33E-160,6.79E-254,0,0,0,0,0,0,0,0,0,0,0,2.966698408,4.034126591,1.96864418,11.22050744,5.429278362,6.257835793,5.14921049,6.820048614,2.230859631,1.973687608,2.001986709,1.423884712,0.878665501,0.559509033,1.30E-08,1.68E-37,4.18E-88,2.01E-160,1.86E-254,0,0,0,0,0,0,0,0,0,0,0,4.59884489,1.695453275,0.770387031,0.650962465,0.239989926,0.5202551,0.560493194,0.404492346,7.064685196,12.6461723,25.71766273,0.476443698,1.485240639,3.817299515,1.08640775,0.290871246,0.734862224,0.209142618,0.358160457,0.227795295,0.057634249,5.194578511,5.573491218,11.97435461,0.602293335,0.64359,4.127583741,1.328305027,0.481435416,0.695192584,0.223721156,0.418866064,0.341997603,0.157985635,5.937324185,8.109348313,16.68623375,0.542788876,0.918849302,4.579484413,1.680375597,0.758526613,0.652498168,0.239424769,0.515871108,0.550442205,0.392143211,7.018386623,12.44352427,25.29896573,0.478747252,1.458456524,4.265942863,1.436127352,0.566326287,0.680547707,0.229106016,0.447482732,0.400497991,0.218630127,6.268396502,9.355669481,19.09362843,0.52082156,1.066610849,4.65946089,1.74265719,0.807515585,0.646282614,0.241712308,0.534102343,0.59255904,0.444382184,7.209633665,13.28965315,27.0561866,0.469423921,1.571043566,4.590998668,1.685688894,0.760508454,0.652390335,0.239539852,0.518481772,0.554173623,0.394230177,7.037196017,12.51246943,25.43523692,0.478585503,1.466885573 +UMLS0214,L,Isopropylcyclopentane,CC(C)C1CCCC1,19751,,"Sandia, UML",[1],C8H16,PubChem,,4.9,0,-0.072,0.005184,30.5706,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1128.97815,1139.13879,763.833675,220.131072,21.337344,0,0,3399.790734,4147.41404,5230.324054,5541.161498,4751.042642,2643.963217,652.758633,0,0,146.842108,144.889944,255.179544,322.364184,315.175404,288.562176,141.087744,0,0,25.74688067,32.32302034,44.11934665,48.5654757,44.43265854,29.37664449,9.336871002,0,0,3476.407621,2904.481805,5640.598507,7489.775027,7320.251741,7257.819716,3883.270693,0,0,41.27777778,46,62.25,76.66666667,83,64,21,0,0,48.76541633,51.7541979,31.36050417,24.76388674,16.97408167,5.241216,1.016064,0,0,161.8947969,207.370702,145.2867793,120.4600326,105.5787254,62.95150517,31.08374443,0,0,6.992481333,7.2444972,7.088320667,7.007917043,7.003897867,6.870528,6.718464,0,0,1.226041937,1.616151017,1.225537407,1.055771211,0.987392412,0.699443916,0.444612905,0,0,165.54322,145.2240902,156.6832919,162.8211962,162.6722609,172.8052313,184.917652,0,0,1.965608466,2.3,1.729166667,1.666666667,1.844444444,1.523809524,1,0,0,0.048218982,-0.011098854,-0.015159625,0.012926323,-0.020047385,-0.010164244,0.019434295,0,0,564.9747087,-53.80711511,-121.066009,13.45177878,-322.8426907,-80.71067267,282.4873543,0,0,1050.594596,-100.0566282,-225.1274134,25.01415705,-600.3397692,-150.0849423,525.297298,0,0,0.110674667,-0.010540444,-0.023716,0.002635111,-0.063242667,-0.015810667,0.055337333,0,0,4.696646663,-0.447299682,-1.006424285,0.111824921,-2.683798093,-0.670949523,2.348323331,0,0,25.51225921,-2.429738973,-5.466912688,0.607434743,-14.57843384,-3.644608459,12.75612961,0,0,5.701058201,-1.249685059,-1.279856387,1.443184681,-0.859410431,-2.814814815,1.91005291,0,0,0.002296142,-5.55E-04,-4.21E-04,2.81E-04,-4.45E-04,-2.42E-04,9.25E-04,0,0,26.90355756,-2.690355756,-3.362944694,0.292429973,-7.174282015,-1.921682683,13.45177878,0,0,50.0283141,-5.00283141,-6.253539262,0.543786023,-13.34088376,-3.573451007,25.01415705,0,0,0.005270222,-5.27E-04,-6.59E-04,5.73E-05,-0.001405393,-3.76E-04,0.002635111,0,0,0.223649841,-0.022364984,-0.02795623,0.002430977,-0.059639958,-0.015974989,0.111824921,0,0,1.214869486,-0.121486949,-0.151858686,0.013205103,-0.323965196,-0.086776392,0.607434743,0,0,0.271478962,-0.062484253,-0.035551566,0.03137358,-0.01909801,-0.0670194,0.0909549,0,0,-0.241684843,-0.183394886,0.122382251,-0.194019991,-0.105396707,0.403042406,0,0,-0.1,-0.125,0.010869565,-0.266666667,-0.071428571,0.5,0,0,-0.1,-0.125,0.010869565,-0.266666667,-0.071428571,0.5,0,0,-0.1,-0.125,0.010869565,-0.266666667,-0.071428571,0.5,0,0,-0.1,-0.125,0.010869565,-0.266666667,-0.071428571,0.5,0,0,-0.1,-0.125,0.010869565,-0.266666667,-0.071428571,0.5,0,0,-0.230162413,-0.130955143,0.115565419,-0.070348028,-0.246867749,0.335034803,0,0,1.539690693,1.086925528,0.766555351,1.316786168,1.030762086,0.107996945,0,0,1.5,1.25,0.97826087,1.238095238,0.816326531,0,0,0,1.5,1.25,0.97826087,1.238095238,0.816326531,0,0,0,1.5,1.25,0.97826087,1.238095238,0.816326531,0,0,0,1.5,1.25,0.97826087,1.238095238,0.816326531,0,0,0,1.5,1.25,0.97826087,1.238095238,0.816326531,0,0,0,1.588399072,0.863495746,0.663068698,1.266821346,1.419953596,0,0,0,26.72904351,13.36452175,18.60058973,26.72904351,3.818434787,13.36452637,-1.78E-15,2.18E-16,3.12E-17,-25.24248141,4000004.229,571429.1756,10.64126418,26.72904351,13.36452175,18.60058973,26.72904351,3.818434787,13.36452637,-1.78E-15,2.18E-16,3.12E-17,-25.24248141,4000004.229,571429.1756,10.64126418,26.72904351,13.36452175,18.60058973,26.72904351,3.818434787,13.36452637,-1.78E-15,2.18E-16,3.12E-17,-25.24248141,4000004.229,571429.1756,10.64126418,26.72904351,13.36452175,18.60058973,26.72904351,3.818434787,13.36452637,-1.78E-15,2.18E-16,3.12E-17,-25.24248141,4000004.229,571429.1756,10.64126418,26.72904351,13.36452175,18.60058973,26.72904351,3.818434787,13.36452637,-1.78E-15,2.18E-16,3.12E-17,-25.24248141,4000004.229,571429.1756,10.64126418,26.72904351,13.36452175,18.60058973,26.72904351,3.818434787,13.36452637,-1.78E-15,2.18E-16,3.12E-17,-25.24248141,4000004.229,571429.1756,10.64126418,39.54460963,19.54214609,28.26792781,39.21581145,5.602258778,19.54214609,-0.46031746,2.18E-16,3.11E-17,-25.24463035,4000004.081,571429.1545,10.64126416,0,11.79,12.21004853,-0.305320986,0.114986176,5.445264183,8.439503344,6,20,19,19,5,1,1,0,0,1,15.304898,3.547390093,2.931120213,2.902564078,2.115165832,1.598026915,1.249634233,0.776467168,0.083923071,1.910006003,1.563026335,1.482274247,1.01872418,0.769718516,0.510587384,0.278570373,0.083923071,3.570751568,2.968691529,2.950308951,2.183239102,1.695309721,1.354859407,0.912490652,0.270913902,1.854797385,1.473453684,1.403779896,0.902237509,0.630337185,0.362244304,0.112403654,0.270913902,3.675321283,3.155598408,3.13435829,2.472637863,2.090117344,1.782273267,1.440651031,0.943918427,1.696563769,1.195492746,1.167333459,0.527926675,0.162386152,0.139710414,0.466463889,0.943918427,3.588059819,2.996427847,2.985267979,2.232970764,1.765276817,1.430635623,1.008838696,0.399277246,1.820004405,1.415133181,1.353243956,0.825324249,0.536857124,0.262451278,4.77E-04,0.399277246,3.727358623,3.252217518,3.214649707,2.60589124,2.26277616,1.968464033,1.660859844,1.207644823,1.648536776,1.104407163,1.092416112,0.401176885,0.004703131,0.320243509,0.682886931,1.207644823,3.605199068,3.156287251,2.988108839,2.279982127,1.779661437,1.528040687,1.080322791,0.525,1.884261535,1.393019689,1.175148491,0.737757397,0.487250586,0.167021548,0.101857046,0.525,0,0,1,1,0,2,2,1,0,0,0,0,0,0,0,0,0,0,0,0.204124145,0,0,0,0.166666667,0,0,0,0.612372436,0.612372436,0,0.451184464,0.402368927,0,5.698670613,3.346065215,2.090770275,1.732050808,0.866025404,0,0,0,0.814095802,0.557677536,0.348461713,0.288675135,0.288675135,0,0,0,5.276020882,2.972291767,1.812278497,1.382088123,0.622008468,0,0,0,0.753717269,0.495381961,0.302046416,0.230348021,0.207336156,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,36,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,5,1,0,2,0,0,0,0,0,0,0,0,2,1,2,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.730462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.370972222,0.300694444,0,0,1.228333333,0.290277778,0,0.671666667,0,0,0,0,0,0,0,0,4.380648148,3.702685185,2.472222222,0,2.027777778,0,0.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.027777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.370972222,0.300694444,0,0,0.225625,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.190324074,3.702685185,1.236111111,0,2.027777778,0,0.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.702685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.370972222,0.300694444,0,0,0.290277778,0.290277778,0,0.370972222,0,0,0,0,0,0,0,0,2.190324074,3.702685185,1.236111111,0,2.027777778,0,0.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.904761905,0.370972222,3.702685185,0.225625,0.75,5.148032778,0.583333333,0.702685185,2.222222222,0.583333333,0.702685185,2.222222222,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.77119,0.82446,7.12629,1.3551,0.19359,2.80805,0.40115,3.34606,0.53801,0.07686,0.06794,0.00971,0.06794,0.00971,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.163334789,2.987090042,2.987090042,2.777932069,2.036538274,19.28421252,45.43003057,62.72889087,62.72889087,58.33657345,42.76730376,0.209068641,0.492526969,0.680071533,0.680071533,0.632452485,0.463659175,3.474021589,2.228982634,1.405227381,1.405227381,1.614385354,2.355779148,0.209068641,0.492526969,0.680071533,0.680071533,0.632452485,0.463659175,6.73287657,16.18022255,17.01042371,17.01042371,14.50052804,7.902903534,27.64912502,18.09706317,17.5042243,17.5042243,16.24927647,10.90823646,7,4.166666667,2.666666667,7,2,5,2.23,1.0519,0.75,4.326748711,1.5,0,1.5,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.126,0.12,0.128,0.152,2.932,6,6,3,0,0,0,0,0,0,28,2.079441542,2.079441542,2.197224577,1.791759469,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,2,4,1,1.5,0.666666667,0.375,0,0,0,0,0,0,0,0.25,0.111111111,0.0625,0,0,0,0,0,0,0,0.423611111,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,0,126.9918924,3.807354922,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,66.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921535632,98.10955045,4.671883355,12.6691974,1.809885343,0,0,0,48,6,3.892,24,1.2236,2.129848229,2.894531609,3.578758676,4.229489673,4.771341247,0,0,0,0,73.7959167,75.2699829,79.26101336,65.18208888,22.68345899,4.847988073,0,0,0,0,278.2003652,333.5005957,370.8818543,394.4828883,270.1430327,148.3111519,0,0,0,0,8.897867644,15.15097843,20.33719819,25.11899554,29.0773906,32.0560844,0,0,0,0,2.110244062,2.756612791,3.193185255,3.647316347,2.989399595,2.121399892,0,0,0,0,175.6104775,329.8421515,467.4783828,578.064354,729.3993044,882.3052204,0,0,0,0,2.8785,3.801378227,4.965112392,6.699348515,6.416296247,4.771341247,0,0,0,0,0.43759575,0.581209488,0.679038788,0.783599443,0.661204676,0.488585344,0,0,0,0,343.4226773,152.0697133,10.33099164,166.7721987,-73.84777452,-10.29143214,176.6504786,225.9174878,20.62242378,0.673120593,0.298062016,0.020249109,0.326879407,-0.14474425,-0.020171571,175.2124903,77.58518852,5.270818997,85.08632123,-37.67675616,-5.250635946,0.128514142,0.231179423,3.280817455,4.347628099,510.194876,0,1,0,393.1393776,19.82774263,7.32569526,529.3948196,23.00858143,8.089590956,652.6598066,25.54720741,8.674190504,1.753336879,1.753336879,359.1755883,279.4534547,120.5561452,1.285278755,2.979322105,2.318035752,3.83470415,3.477616438,6.42424645,0.847313114,4.149594424,4.989941348,5.726601227,14.87635443,6.700515067,6.753964152,4.104710265,11.76738658,3.507818406,4.650545104,0.432299747,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348257413,4.864058411,0.276173894,6.054959862,0.831402585,1.331896054,0.496813641,0.454522192,0.958794784,0.069827714,0.003045791,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.124191339,4.872470626,1.026221199,7.14842574,1.242327106,2.21650612,1.168371198,1.818470789,1.138531705,0.436572805,0.0317311,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.916879296,4.97612067,5.264689086,14.08614207,6.062767089,6.343439849,3.860881111,10.74042362,3.23128551,4.169079295,0.385172027,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.656845653,4.883377081,1.648739244,8.109028847,1.758116171,2.88972402,1.648641907,3.035442501,1.363038683,0.857065013,0.068921561,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.011233796,5.048055332,7.582461871,18.08620765,9.377962295,8.363182977,5.033565037,15.94945141,4.668495213,6.661459351,0.630465068,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.28124299,3.4995522,2.37625634,8.296183758,2.52336245,3.86347984,2.126110298,4.257062243,1.769633586,1.414733312,0.119156448,0.310549595,2.21E-15,3.04E-51,8.05E-109,4.12E-188,4.06E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.594428345,1.483516543,0.576582255,0.635672666,0.262359081,0.528549318,0.368726342,0.405970873,5.654527144,8.260246829,16.98933768,0.453508999,1.303246533,2.64020713,1.023769197,0.20804171,0.6818685,0.26440197,0.287195656,0.179204036,0.053249872,3.872018037,3.465222635,7.899569661,0.52280275,0.519649565,3.018537462,1.206866166,0.354569168,0.65907323,0.263509462,0.373999745,0.246797082,0.154260316,4.579972796,5.141168582,11.01282648,0.488609844,0.775057143,3.570747054,1.472178132,0.567472054,0.636451734,0.262401764,0.521659675,0.36326197,0.393323198,5.61039724,8.118494842,16.7119654,0.454677602,1.278244843,3.187482493,1.288244387,0.419810491,0.651099614,0.263146676,0.416531105,0.280193502,0.215958714,4.895537371,5.98521353,12.60460043,0.476649421,0.912683321,3.668582515,1.519003286,0.605100288,0.633312846,0.262227792,0.550419885,0.386086358,0.446838142,5.792686088,8.711598554,17.87625978,0.44996927,1.383344386,3.57329554,1.480807413,0.566801329,0.635715422,0.263446474,0.522683085,0.368113921,0.391866986,5.620904281,8.156034792,16.77609038,0.453573134,1.282663992 +UMLS0215,L,3-Ethyl-1-Pentene,CCC(CC)C=C,19951,,"Sandia, UML",[1],C7H14,PubChem,,14,0,0.9262,0.85784644,29.3132,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,803.11258,630.655707,447.02213,264.404617,81.787104,9.144576,0,2914.106344,3494.423905,4007.996657,3488.939862,2627.961878,1798.067638,968.1733981,279.7536999,0,125.864664,123.114164,212.027152,236.881452,187.832648,145.502308,103.171968,60.466176,0,22.06875486,27.30703172,34.75630082,32.18367113,24.72029948,17.70154074,10.682782,4.001516144,0,2979.777961,2471.442353,4742.724499,5635.903716,4494.988761,3538.991458,2582.994154,1664.258868,0,32.5,38.25,53,53.5,42,31.5,21,9,0,48.76541633,50.97680359,26.77041933,18.54869726,16.55637519,12.59069605,5.4524736,1.016064,0,161.8947969,205.5543474,133.5998886,102.6158783,97.33192139,85.62226847,64.54489321,31.08374443,0,6.992481333,7.242009647,7.067571733,6.967101529,6.956764741,6.928681333,6.8781312,6.718464,0,1.226041937,1.606295984,1.158543361,0.946578563,0.915566648,0.842930512,0.712185467,0.444612905,0,165.54322,145.3789619,158.0908166,165.761874,166.4810652,168.5234028,172.1996103,184.917652,0,1.805555556,2.25,1.766666667,1.573529412,1.555555556,1.5,1.4,1,0,0.040002738,-0.00278122,-0.020139622,-0.001100626,4.31E-04,-0.00173934,-2.93E-04,0.00562097,0,484.264036,-53.80711511,-161.4213453,-26.90355756,-40.35533633,-40.35533633,-40.35533633,121.066009,0,900.5096538,-100.0566282,-300.1698846,-50.0283141,-75.04247115,-75.04247115,-75.04247115,225.1274134,0,0.094864,-0.010540444,-0.031621333,-0.005270222,-0.007905333,-0.007905333,-0.007905333,0.023716,0,4.025697139,-0.447299682,-1.341899046,-0.223649841,-0.335474762,-0.335474762,-0.335474762,1.006424285,0,21.86765075,-2.429738973,-7.289216918,-1.214869486,-1.822304229,-1.822304229,-1.822304229,5.466912688,0,3.111111111,-0.438271605,-0.87962963,-0.237654321,-0.166666667,-0.018518519,-0.509259259,0.694444444,0,0.002222374,-1.64E-04,-6.71E-04,-3.24E-05,1.60E-05,-8.28E-05,-1.95E-05,6.25E-04,0,26.90355756,-3.165124418,-5.380711511,-0.791281105,-1.494642086,-1.921682683,-2.690355756,13.45177878,0,50.0283141,-5.885684011,-10.00566282,-1.471421003,-2.779350783,-3.573451007,-5.00283141,25.01415705,0,0.005270222,-6.20E-04,-0.001054044,-1.55E-04,-2.93E-04,-3.76E-04,-5.27E-04,0.002635111,0,0.223649841,-0.026311746,-0.044729968,-0.006577937,-0.012424991,-0.015974989,-0.022364984,0.111824921,0,1.214869486,-0.142925822,-0.242973897,-0.035731455,-0.067492749,-0.086776392,-0.121486949,0.607434743,0,0.172839506,-0.025780683,-0.029320988,-0.006989833,-0.00617284,-8.82E-04,-0.033950617,0.077160494,0,-0.073615485,-0.302073659,-0.014566106,0.007186887,-0.037269021,-0.008782605,0.281029244,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.149159664,-0.169642857,-0.040441176,-0.035714286,-0.005102041,-0.196428571,0.446428571,0,1.360986915,1.377599631,1.010757438,0.960329614,0.903051764,0.61620132,0.003719356,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.526785714,1.161160714,0.944196429,0.936011905,0.878188776,1.092857143,0,0,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,24.51389036,12.20138963,20.14622415,24.43981629,4.073302715,12.20140297,-0.111111111,0.186385835,0.031064306,-1.007961824,40.95256977,6.825428295,2.227448737,0,11.89,12.11007471,-0.181125823,0.043355217,5.090583876,6.867637229,5,17,16,16,4,1,1,0,0,1,13.118484,3.481399334,3.049930099,2.428688263,1.891521341,1.331311296,0.765847009,0.083923071,0.083923071,1.863783038,1.611524163,1.239148958,0.863568446,0.602169637,0.264964675,0.083923071,0.083923071,3.505841441,3.088836534,2.489259763,1.967536665,1.439322469,0.900454728,0.270913902,0.270913902,1.805414244,1.532245906,1.133409581,0.741875589,0.454381641,0.09844123,0.270913902,0.270913902,3.615755954,3.258909237,2.747078453,2.284983883,1.873215159,1.426223898,0.943918427,0.943918427,1.638161172,1.292529721,0.79650392,0.344649558,0.048210994,0.480977355,0.943918427,0.943918427,3.523980836,3.11746945,2.533503899,2.022738466,1.516763663,0.996044729,0.399277246,0.399277246,1.768615858,1.481153979,1.063829824,0.661089052,0.354796896,0.014648039,0.399277246,0.399277246,3.670672848,3.340669691,2.86633473,2.428306665,2.060498847,1.646329442,1.207644823,1.207644823,1.587536355,1.216048922,0.683298907,0.207422135,0.230283037,0.697079997,1.207644823,1.207644823,3.551518429,3.152426137,2.604035092,2.094515748,1.568267128,1.124870062,0.545454545,0.545454545,1.76090306,1.401965688,0.980750265,0.562223677,0.269870672,0.152808039,0.545454545,0.545454545,0,0,0,2,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.568914101,2.526038674,1.357710728,0.691044062,0.333333333,0.166666667,0,0,0.761485683,0.505207735,0.339427682,0.230348021,0.166666667,0.166666667,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,2,0,2,0,0,0,0,0,0,0,0,2,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.650416667,0,0,0.759305556,0.580555556,0,0.650416667,0,0,0,0,0,0,0,0,4.231805556,0,2.500833333,0,4.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.225625,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.05125,0,1.232638889,0,2.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.334097222,0,0,0.290277778,0.290277778,0,0.334097222,0,0,0,0,0,0,0,0,2.180555556,0,1.268194444,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.334097222,2.180555556,0.225625,1.232638889,4.228402778,0.267361111,0.180555556,0.998333333,0.267361111,0.180555556,0.998333333,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.33333,0,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.28976,0.71496,5.31294,1.02318,0.17053,2.31066,0.38511,2.91421,0.60355,0.10059,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.102187171,3.308270835,3.419381946,3.419381946,2.775772918,16.52932501,37.83936908,59.54887502,61.54887502,61.54887502,49.96391252,0.220218789,0.504130691,0.793364589,0.820010419,0.820010419,0.66566495,3.251629167,2.06773783,0.861654167,0.750543056,0.750543056,1.394152084,0.220218789,0.504130691,0.793364589,0.820010419,0.820010419,0.66566495,6.73287657,16.17613249,18.61300657,18.72498713,18.72498713,12.98339237,23.69925001,15.20198837,13.03809584,12.79699306,12.79699306,10.42172153,6,5,5.333333333,6,2,6,2.12,0.911,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,2.708,4,3,2,1,0,0,0,0,0,21,1.945910149,1.945910149,1.791759469,1.609437912,1.098612289,0,0,0,0,0,3.401197382,1.380952381,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,109.6959078,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,84.09390038,4.671883355,10.83915043,1.806525072,0,0,0,35,3,3.343,18,1.206395782,2.097553763,2.898257973,3.689405455,5.016540125,5.995890107,7.182270611,0,0,0,71.97748763,64.20364479,65.33105778,77.59605585,73.51480026,36.07269026,7.297646606,0,0,0,272.4643847,304.0451546,327.7836943,417.4135257,464.6140044,412.499322,223.2518641,0,0,0,8.770262142,14.88187247,20.25051477,25.84346758,34.85977191,41.36217491,48.25382654,0,0,0,2.070674696,2.577931061,2.920677265,3.76781038,4.459550444,4.474058815,3.1933302,0,0,0,173.2968935,327.4376415,476.4046369,600.814316,837.7583137,1022.799613,1328.128618,0,0,0,2.817117478,3.849517494,4.731401927,6.177891918,7.810654027,8.699020329,7.182270611,0,0,0,0.429537557,0.54586211,0.62501409,0.807239272,0.965561438,0.985929865,0.735464511,0,0,0,311.4784396,117.9067907,9.21114256,105.2271878,-39.83261257,-6.736835299,206.2512518,157.7394033,15.94797786,0.747478362,0.28294984,0.022104675,0.252521638,-0.095589332,-0.016166893,129.7948186,49.13242321,3.83833494,43.84876131,-16.59847381,-2.80727718,0.150280215,0.240483033,2.250690678,2.162979989,416.7056274,0,1,0,332.8277466,18.24356727,6.930105427,453.1341052,21.28694683,7.680843511,469.5352153,21.66876128,7.77241635,2.272147522,2.272147522,438.4402201,421.8856898,29.22307159,1.039239374,15.00322164,14.43673327,3.621397168,4.500066863,7.773558401,0.727431756,4.957136514,3.968148321,2.315921924,14.84898268,5.77585634,2.571950076,2.916525629,6.167776386,5.619225274,0.840525564,0.870175036,1.679843907,4.008535319,0.005193109,0.011855284,2.41E-23,9.44E-66,7.13E-130,1.04E-215,3.0E-323,0,0,0,0,0,0,0,0,0,0,0.41602589,3.963401242,0.190803218,4.101263048,0.047945946,0.085856271,0.592747353,0.205421269,2.141078026,0.026141388,0.028738664,0.189483265,0.149651734,3.67E-05,8.35E-05,1.70E-25,6.65E-68,5.03E-132,7.33E-218,0,0,0,0,0,0,0,0,0,0,0,1.342963382,3.963718559,0.618279236,4.886894986,0.442583238,0.361974217,1.066740556,0.868840704,2.618123813,0.11364276,0.121923025,0.492295801,0.606153455,3.82E-04,8.70E-04,1.77E-24,6.93E-67,5.24E-131,7.63E-217,0,0,0,0,0,0,0,0,0,0,0,4.679132976,3.967627172,2.18359282,13.69283808,5.151187166,2.33791036,2.77414549,5.606911319,5.323896842,0.762816845,0.790867178,1.58810917,3.655137182,0.004627071,0.010562845,2.15E-23,8.41E-66,6.36E-130,9.27E-216,3.0E-323,0,0,0,0,0,0,0,0,0,0,1.97927691,3.96412988,0.913600507,5.844332423,0.943469692,0.620212184,1.39222283,1.48863988,3.01475903,0.19708681,0.209220447,0.70058335,1.017861384,8.28E-04,0.001889997,3.84E-24,1.50E-66,1.14E-130,1.66E-216,0,0,0,0,0,0,0,0,0,0,0,5.986458486,3.970339661,2.808410007,19.69530823,8.399843588,3.531420196,3.443831561,8.466784739,6.806251122,1.159870624,1.195376294,2.020059433,5.450035989,0.007573166,0.017289818,3.51E-23,1.38E-65,1.04E-129,1.52E-215,4.0E-323,0,0,0,0,0,0,0,0,0,0,2.717216901,3.653271849,1.286422545,7.191133095,1.745273522,0.895642134,1.845399679,2.16436266,3.618767776,0.289219199,0.346334747,1.028537761,1.662507005,0.001545645,0.003527192,7.17E-24,2.81E-66,2.12E-130,3.09E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,6.245792872,0.74998761,0.349171643,0.850351747,0.102109258,0.578640438,0.513132638,0.444431315,7.344952125,7.126995433,16.10756085,0.775527621,1.536204391,4.953122965,0.272263086,0.0752759,0.934434795,0.051363978,0.364519486,0.067934394,0.020655639,5.300661951,1.741898181,7.144073638,0.901652193,0.45310952,5.466117155,0.462412098,0.184058399,0.894239472,0.075649156,0.443547942,0.195809639,0.123491765,6.112587652,3.618794305,10.19660773,0.841359208,0.762849347,6.213752006,0.738198498,0.342390756,0.851859241,0.10120153,0.572732286,0.497226623,0.427337279,7.29434126,6.967265984,15.83214761,0.777788861,1.497296189,5.694966647,0.546982473,0.232547236,0.879599946,0.084482629,0.481324987,0.273747886,0.197128348,6.474496356,4.566594956,11.76548687,0.819399919,0.952201221,6.346114768,0.786885673,0.370400789,0.845765084,0.104870531,0.597336992,0.564502372,0.500115743,7.50340123,7.63573578,16.98879513,0.768647625,1.661955107,6.225369953,0.737536416,0.342298185,0.852182839,0.100960406,0.574869953,0.496291497,0.427106236,7.305204554,6.974827256,15.85167238,0.778274258,1.498267687 +UMLS0216,L,2-hexene,CCCC=CC,19966, (trans) reported,UML,[1],C6H12,PubChem,,11.9,0,1.6868,2.84529424,36.2318,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,2033.932332,1482.11583,659.19605,169.670592,18.289152,0,0,3885.475125,5223.921076,8208.886547,8619.853418,5539.791773,2122.849263,559.5073998,0,0,167.819552,174.20624,341.930928,475.0278,569.654984,246.65472,120.932352,0,0,29.42500648,40.12790896,65.5272183,77.30135745,58.98366183,24.03324144,8.003032287,0,0,3973.037281,3464.315612,7415.485242,10450.98769,14405.24581,6275.494221,3328.517736,0,0,38.09027778,46,76.875,110.75,104.25,48,18,0,0,48.76541633,56.15943233,42.37359025,22.12113179,7.942121084,4.713072,1.016064,0,0,161.8947969,217.6633782,171.0184697,128.6545286,66.74447919,58.96803508,31.08374443,0,0,6.992481333,7.258593333,7.123561,7.089967164,6.86331306,6.85152,6.718464,0,0,1.226041937,1.671996207,1.365150381,1.153751604,0.710646528,0.66759004,0.444612905,0,0,165.54322,144.3464838,154.4892759,155.984891,173.5571785,174.3192839,184.917652,0,0,1.587094907,1.916666667,1.6015625,1.652985075,1.256024096,1.333333333,1,0,0,0.031154203,-0.005228525,0.011151884,-0.040279448,0.010549347,-0.001601147,0.009830787,0,0,645.6853813,6.32E-13,161.4213453,-874.3656206,147.9695666,-6.15E-13,242.132018,0,0,1200.679538,-5.68E-14,300.1698846,-1625.920208,275.1557275,1.42E-13,450.2548269,0,0,0.126485333,2.94E-15,0.031621333,-0.171282222,0.028986222,-2.21E-15,0.047432,0,0,5.367596186,1.20E-14,1.341899046,-7.268619835,1.230074126,-8.91E-15,2.01284857,0,0,29.15686767,-1.15E-13,7.289216918,-39.48325831,6.681782175,8.42E-14,10.93382538,0,0,2.84693287,-1.563368056,1.945023148,-3.332236208,1.646255305,-0.926649306,0.807508681,0,0,0.001298092,-2.18E-04,2.32E-04,-6.01E-04,1.27E-04,-4.45E-05,5.46E-04,0,0,26.90355756,2.63E-14,3.362944694,-13.05023314,1.782765862,-1.71E-14,13.45177878,0,0,50.0283141,-2.37E-15,6.253539262,-24.26746579,3.315129247,3.95E-15,25.01415705,0,0,0.005270222,1.22E-16,6.59E-04,-0.002556451,3.49E-04,-6.14E-17,0.002635111,0,0,0.223649841,5.02E-16,0.02795623,-0.108486863,0.01482017,-2.47E-16,0.111824921,0,0,1.214869486,-4.81E-15,0.151858686,-0.589302363,0.0805034,2.34E-15,0.607434743,0,0,0.118622203,-0.065140336,0.040521316,-0.049734869,0.019834401,-0.025740258,0.044861593,0,0,-0.16782727,0.178978798,-0.463130414,0.09791339,-0.034262827,0.420736683,0,0,9.79E-16,0.125,-0.485074627,0.06626506,-6.35E-16,0.5,0,0,-4.73E-17,0.125,-0.485074627,0.06626506,7.89E-17,0.5,0,0,2.32E-14,0.125,-0.485074627,0.06626506,-1.16E-14,0.5,0,0,2.24E-15,0.125,-0.485074627,0.06626506,-1.11E-15,0.5,0,0,-3.96E-15,0.125,-0.485074627,0.06626506,1.92E-15,0.5,0,0,-0.549141173,0.341599756,-0.419271161,0.167206482,-0.216993597,0.37818884,0,0,1.606192706,0.874208167,1.63389623,0.653415419,0.882900482,2.44E-05,0,0,1.4375,1.078125,1.609141791,0.675451807,0.71875,0,0,0,1.4375,1.078125,1.609141791,0.675451807,0.71875,0,0,0,1.4375,1.078125,1.609141791,0.675451807,0.71875,0,0,0,1.4375,1.078125,1.609141791,0.675451807,0.71875,0,0,0,1.4375,1.078125,1.609141791,0.675451807,0.71875,0,0,0,2.080495985,0.462851916,1.649603391,0.540416366,1.346478301,0,0,0,29.86036965,14.93018483,21.57405184,29.86036965,3.732546206,14.93018587,-1.60E-14,0.038722865,0.004840358,-2.601060022,40.70521371,5.088151714,2.965084948,29.86036965,14.93018483,21.57405184,29.86036965,3.732546206,14.93018587,-1.60E-14,0.038722865,0.004840358,-2.601060022,40.70521371,5.088151714,2.965084948,29.86036965,14.93018483,21.57405184,29.86036965,3.732546206,14.93018587,-1.60E-14,0.038722865,0.004840358,-2.601060022,40.70521371,5.088151714,2.965084948,29.86036965,14.93018483,21.57405184,29.86036965,3.732546206,14.93018587,-1.60E-14,0.038722865,0.004840358,-2.601060022,40.70521371,5.088151714,2.965084948,29.86036965,14.93018483,21.57405184,29.86036965,3.732546206,14.93018587,-1.60E-14,0.038722865,0.004840358,-2.601060022,40.70521371,5.088151714,2.965084948,29.86036965,14.93018483,21.57405184,29.86036965,3.732546206,14.93018587,-1.60E-14,0.038722865,0.004840358,-2.601060022,40.70521371,5.088151714,2.965084948,37.09383279,18.41748931,26.98705824,36.89969217,4.612461521,18.41748934,-0.258854167,0.031668791,0.003958599,-2.761938871,38.55196236,4.818995295,2.921605602,0,11.89,12.11011416,-0.157931538,0.06361414,5.97336841,9.025069321,8,24,24,24,8,0,0,0,0,0,17.491312,3.718740244,3.036513415,2.585026848,2.333552793,2.195395208,1.752860843,0.951765032,0.441179822,1.867888509,1.79476291,1.305504772,1.249629723,1.114836607,0.72187647,0.373073722,0.083923071,3.739362132,3.072744486,2.636119762,2.405454588,2.263223408,1.833339419,1.076585575,0.551150006,1.8126961,1.732108906,1.20244077,1.134540686,1.000818799,0.583583375,0.215393425,0.270913902,3.831193928,3.235043603,2.859956374,2.704236987,2.547944367,2.170883467,1.568028695,0.964951926,1.655971806,1.548873378,0.876599353,0.76031856,0.631463018,0.124709542,0.323125299,0.943918427,3.754612348,3.099635125,2.67379775,2.457539916,2.312537357,1.891880787,1.165445797,0.628327402,1.778029933,1.692286286,1.134813336,1.058262671,0.925334758,0.491172469,0.10893631,0.399277246,3.876680629,3.31502144,2.96690002,2.838982085,2.677660225,2.323809754,1.775799502,1.207644823,1.608967246,1.492207126,0.76810118,0.631337262,0.504944255,0.036211035,0.518371414,1.129634726,3.723504927,3.191487261,2.755265126,2.676024434,2.401401933,1.965585773,1.280893307,0.669069254,1.765581202,1.680445531,0.985554877,0.84162953,0.772529863,0.369584254,0.032348019,0.611464968,0,0,0,0,0,3,3,1,1,0,0,0.102062073,0.306186218,0.306186218,0,0,0.102062073,0.306186218,0.306186218,1.495781916,0.25,0,0,1.495781916,0.25,0,0,1.444814383,2.309822465,1.861881719,1.444814383,2.309822465,1.861881719,6.198670613,3.600953631,4.012184558,2.214961113,1.784584057,0.90104757,0,0,0.774833827,0.450119204,0.334348713,0.201360101,0.137275697,0.112630946,0,0,6.198670613,3.600953631,4.012184558,2.214961113,1.784584057,0.90104757,0,0,0.774833827,0.450119204,0.334348713,0.201360101,0.137275697,0.112630946,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,26.29160388,35.80022838,52.58320775,6.572900969,26.29160388,0.114256157,0.01428202,-1.735449891,60.65428433,7.581785541,3.284152218,49,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,7.098958333,0,4.327546296,0,0,0,0.990740741,0,0,0,0,0,0.666087963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.355902778,0,1.4375,0,0,0,0.990740741,0,0,0,0,0,0.666087963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.371527778,0,1.451388889,0,0,0,0.990740741,0,0,0,0,0,0.666087963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.08333333,1.635416667,0.2,2.371527778,0,0.666087963,5.736883681,0.583912037,0.371527778,2.197916667,0.583912037,0.371527778,2.197916667,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.375,0.125,0.125,4,0.5,4,0.5,0,0,-4,-0.5,0,0,9.00618,1.12577,9.00618,0,0,3.60095,0.45012,3.60095,0,0,0.31305,0.03913,0.39905,0.04988,0.208333333,8,0,0,0,0,0,0,1,0.918295834,1.522055209,2.666666667,3.40726823,3.240601563,3.29248125,22.03910002,36.52932501,64,81.77443751,77.77443751,79.01955001,0.200284263,0.331966774,0.581611445,0.743139825,0.706789109,0.718104292,3.666666667,3.062907292,1.918295834,1.177694271,1.344360938,1.29248125,0.200284263,0.331966774,0.581611445,0.743139825,0.706789109,0.718104292,6.73287657,13.97798907,18.57108885,19.31748564,17.31748564,19.20180045,31.59900002,22.03208126,18.42919792,16.57092761,19.15589011,16.90739375,6.125,1.75,1.487603306,0,0,0,2.34,1.1272,0.944940787,3.931112091,1.44224957,2.080083823,1.889881575,2.381101578,2.381101578,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.14,0.131,0.159,0.212,3.482,12,11,13,8,0,0,0,0,0,60,2.197224577,2.564949357,2.48490665,2.63905733,2.197224577,0,0,0,0,0,4.110873864,1,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.375,0,2,4,1,3.5,1.111111111,0.916666667,0,0,0,0,0,0,0,0.4375,0.092592593,0.152777778,0,0,0,0,0,0,0,0.68287037,14.93018483,21.57405184,29.86036965,3.732546206,14.93018587,0.038722865,0.004840358,-2.601060022,40.70521371,5.088151714,2.965084948,0,134.567877,4,3.713572067,4.465908119,5.361292166,6.137727054,7.027314514,7.816416984,8.697679732,9.495744853,10.36951454,79.08517002,2.833213344,0,4.17438727,2.397895273,5.659482216,4.727387819,7.204149292,6.762729507,8.782169426,9.129238771,112.1252005,4.671883355,15.24302953,1.905378692,0,0,0,58,6,4.467,40,1.331436567,2.357346344,3.343483618,4.020476117,5.064457466,6.075191816,0,0,0,0,94.01800751,119.9866651,84.36009306,38.42058896,26.48404788,6.172783697,0,0,0,0,334.770918,457.7763755,459.6521048,293.5688699,318.3636752,188.8397098,0,0,0,0,9.725938808,16.90531792,23.77122936,27.67792768,34.79334218,40.81595751,0,0,0,0,2.47012952,3.543087303,4.036972366,3.031473533,3.538693177,2.701108681,0,0,0,0,188.3541604,356.2510011,516.7957575,691.3339664,875.336369,1123.410206,0,0,0,0,2.592059654,3.996474107,5.655831504,5.220777641,6.988376752,6.075191816,0,0,0,0,0.509638069,0.73845747,0.858799173,0.664666183,0.783331738,0.622099642,0,0,0,0,334.6844683,134.8296891,8.34438648,36.13450053,-14.55700498,-2.074164651,298.5499677,149.3866941,10.41855113,0.902554876,0.363599763,0.022502588,0.097445124,-0.039256366,-0.00559347,124.1073494,49.99740627,3.09425679,13.39935822,-5.398013576,-0.769139597,0.074046213,0.154888033,1.372689159,1.514887146,370.8189688,0,1,0,402.4237007,20.06050101,7.38291469,557.416278,23.60966493,8.229874559,675.8948421,25.99797765,8.77592785,1.389700698,1.389700698,500.8199389,493.5002317,161.2088199,1.014832227,3.106653465,3.061248336,4.375166421,4.399631957,7.72856719,0.75663948,4.462408855,4.441407752,3.342998989,8.83214446,9.851421707,13.72886432,9.290755044,12.06501528,8.363047528,1.488904907,4.451047314,1.959888622,3.334641687,0.005387436,6.31E-04,1.43E-26,6.23E-71,5.24E-137,8.51E-225,0,0,0,0,0,0,0,0,0,0,0,0.374499053,4.441098785,0.778248746,3.363500826,1.177541304,2.536611138,0.676435646,0.359110856,0.450699632,0.061248561,0.91558695,0.015627362,0.057043502,3.79E-05,4.45E-06,1.01E-28,4.39E-73,3.69E-139,5.99E-227,0,0,0,0,0,0,0,0,0,0,0,1.208928595,4.441120061,1.122437269,4.163334849,2.154109761,4.094640276,1.609789719,1.465735564,1.414900101,0.239694803,1.306917984,0.148530188,0.33095915,3.95E-04,4.63E-05,1.05E-27,4.57E-72,3.85E-138,6.24E-226,0,0,0,0,0,0,0,0,0,0,0,4.212149946,4.441374053,3.122545209,8.385414598,9.039537825,12.78665386,8.471530608,10.89457607,7.648400035,1.361540169,4.117748516,1.747481206,2.994211931,0.004800109,5.63E-04,1.27E-26,5.55E-71,4.67E-137,7.58E-225,0,0,0,0,0,0,0,0,0,0,0,1.781738316,4.441147075,1.411959189,4.806351259,3.060235201,5.379905678,2.495471221,2.606288593,2.270052773,0.395735345,1.67363682,0.318139697,0.636310592,8.59E-04,1.01E-04,2.28E-27,9.93E-72,8.36E-138,1.36E-225,0,0,0,0,0,0,0,0,0,0,0,5.389004952,4.441549311,4.231273289,10.61328741,13.17637492,17.50928237,12.65536175,16.91389444,11.27050759,2.005856046,5.817789008,2.852364941,4.753806746,0.00785707,9.21E-04,2.08E-26,9.09E-71,7.65E-137,1.24E-224,0,0,0,0,0,0,0,0,0,0,0,2.954542274,3.978065834,1.655263728,5.434751618,4.804109624,7.741113927,4.453230992,5.208151997,4.282450682,0.624714195,3.016985545,0.741650796,1.409986199,0.002014305,2.36E-04,5.34E-27,2.33E-71,1.96E-137,3.18E-225,0,0,0,0,0,0,0,0,0,0,0,4.633046726,1.306010478,1.237364962,0.645592834,0.181986295,0.501808713,0.477286467,0.408950174,7.176422165,13.39958886,28.0630683,0.468389251,1.388045354,3.715157203,0.751714654,0.688178623,0.720682992,0.145821007,0.324349326,0.1389873,0.143473041,5.155050479,5.866743832,12.94369698,0.581024488,0.606809666,4.079420968,0.963006051,0.915446683,0.684710884,0.161635862,0.390166166,0.244070327,0.251997114,5.957873702,8.544580165,18.09879264,0.527066326,0.886233607,4.610294553,1.29155448,1.224529665,0.646933702,0.181235735,0.496944282,0.466666824,0.402032855,7.126378698,13.1814358,27.59921098,0.470400553,1.365643961,4.241917671,1.061129251,1.012678134,0.671643815,0.168013845,0.421481607,0.306605374,0.299153074,6.315725056,9.87150258,20.74551766,0.507465723,1.027240055,4.704285893,1.351369527,1.277439482,0.641514389,0.184283654,0.517192993,0.511170914,0.431234886,7.333094902,14.09296192,29.54703164,0.462271583,1.459598793,4.630683404,1.295734937,1.225257239,0.64749629,0.181179211,0.501278259,0.470126298,0.398628266,7.15167558,13.26152524,27.76491367,0.471244435,1.370032824 +UMLS0217,L,"1,1,3-Trimethylcyclopentane",CC1CCC(C1)(C)C,20615,"Co-optima values predicted should not be used, Sandia MON averaged between co -optima database and UML value (should use UML MON value and sensitivity)","Sandia, UML",[9],C8H16,PubChem,,-1.8,0,1.5036,2.26081296,36.2302,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1322.686687,1104.854525,852.728356,646.827051,438.979298,129.199392,12.192768,3885.475125,4800.404174,6143.871166,6181.357888,5014.563501,3728.011456,2637.560239,1396.036119,373.0049332,167.819552,166.665724,297.909052,385.60082,394.224016,270.87294,207.588872,124.924032,80.621568,29.42500648,37.33900896,51.8070368,56.2430874,48.09871206,35.07566706,25.38520679,14.69234634,5.335354858,3973.037281,3337.521256,6564.800706,8926.001252,9671.910895,6528.696872,5081.536821,3010.566693,2219.011824,45.52777778,51.16666667,72.41666667,89.16666667,81.83333333,61.33333333,50.66666667,34,12,48.76541633,52.3287937,31.49254017,20.08826409,14.9601466,16.585309,14.63264327,7.177744,1.016064,161.8947969,208.713225,146.2826468,112.3883252,87.97479826,95.59003733,87.91867463,77.55756218,31.08374443,6.992481333,7.246335826,7.093072667,7.010924,6.916210807,6.94546,6.919629067,6.940224,6.718464,1.226041937,1.623435172,1.233500876,1.022601589,0.843837054,0.899376078,0.84617356,0.816241463,0.444612905,165.54322,145.1096198,156.3047787,162.2909319,169.6826473,167.4024839,169.3845607,167.2537052,184.917652,1.896990741,2.224637681,1.724206349,1.621212121,1.435672515,1.572649573,1.688888889,1.888888889,1,0.052813749,-0.008723303,-0.016694825,-0.010269392,0.004584103,0.005469259,0.001001001,-0.016598682,0.014824965,645.6853813,-53.80711511,-161.4213453,-269.0355756,121.066009,-2.74E-13,40.35533633,-161.4213453,161.4213453,1200.679538,-100.0566282,-300.1698846,-500.283141,225.1274134,1.42E-13,75.04247115,-300.1698846,300.1698846,0.126485333,-0.010540444,-0.031621333,-0.052702222,0.023716,-7.38E-16,0.007905333,-0.031621333,0.031621333,5.367596186,-0.447299682,-1.341899046,-2.236498411,1.006424285,-2.69E-15,0.335474762,-1.341899046,1.341899046,29.15686767,-2.429738973,-7.289216918,-12.14869486,5.466912688,2.73E-14,1.822304229,-7.289216918,7.289216918,5.915509259,-1.230372299,-0.223668981,-1.843412423,0.547887731,0.228732639,1.686631944,-3.096354167,0.972800926,0.002200573,-3.79E-04,-3.97E-04,-1.87E-04,8.04E-05,1.40E-04,3.34E-05,-9.22E-04,0.001235414,26.90355756,-2.339439787,-3.843365365,-4.891555919,2.12396507,-7.01E-15,1.345177878,-8.967852519,13.45177878,50.0283141,-4.350288182,-7.146902014,-9.096057109,3.949603745,3.64E-15,2.501415705,-16.6761047,25.01415705,0.005270222,-4.58E-04,-7.53E-04,-9.58E-04,4.16E-04,-1.89E-17,2.64E-04,-0.001756741,0.002635111,0.223649841,-0.019447812,-0.031949977,-0.040663607,0.017656566,-6.90E-17,0.011182492,-0.074549947,0.111824921,1.214869486,-0.105640825,-0.173552784,-0.220885361,0.095910749,7.00E-16,0.060743474,-0.404956495,0.607434743,0.246479552,-0.053494448,-0.005325452,-0.03351659,0.009612065,0.005864939,0.056221065,-0.172019676,0.081066744,-0.172352407,-0.180632883,-0.084848913,0.036546325,0.063727682,0.015162727,-0.419049522,0.561405507,-0.086956522,-0.142857143,-0.181818182,0.078947368,-2.61E-16,0.05,-0.333333333,0.5,-0.086956522,-0.142857143,-0.181818182,0.078947368,7.28E-17,0.05,-0.333333333,0.5,-0.086956522,-0.142857143,-0.181818182,0.078947368,-3.59E-15,0.05,-0.333333333,0.5,-0.086956522,-0.142857143,-0.181818182,0.078947368,-3.09E-16,0.05,-0.333333333,0.5,-0.086956522,-0.142857143,-0.181818182,0.078947368,5.76E-16,0.05,-0.333333333,0.5,-0.217034019,-0.02160606,-0.135981217,0.038997415,0.023794832,0.228096263,-0.697906476,0.328898454,1.483126968,1.138128222,0.964133334,0.702550048,0.809001857,1.101197786,1.893586419,0.1952039,1.5,1.283482143,1.176136364,0.756578947,0.884615385,0.790625,1.197916667,0,1.5,1.283482143,1.176136364,0.756578947,0.884615385,0.790625,1.197916667,0,1.5,1.283482143,1.176136364,0.756578947,0.884615385,0.790625,1.197916667,0,1.5,1.283482143,1.176136364,0.756578947,0.884615385,0.790625,1.197916667,0,1.5,1.283482143,1.176136364,0.756578947,0.884615385,0.790625,1.197916667,0,1.587164938,0.759873662,0.945511464,0.679277925,0.891711693,0.921620035,3.024065741,0,38.8991452,19.4495726,31.19292295,38.8991452,4.862393151,19.44957261,1.07E-14,0.014183312,0.001772914,-3.404551378,31.00644972,3.875806215,2.747356191,38.8991452,19.4495726,31.19292295,38.8991452,4.862393151,19.44957261,1.07E-14,0.014183312,0.001772914,-3.404551378,31.00644972,3.875806215,2.747356191,38.8991452,19.4495726,31.19292295,38.8991452,4.862393151,19.44957261,1.07E-14,0.014183312,0.001772914,-3.404551378,31.00644972,3.875806215,2.747356191,38.8991452,19.4495726,31.19292295,38.8991452,4.862393151,19.44957261,1.07E-14,0.014183312,0.001772914,-3.404551378,31.00644972,3.875806215,2.747356191,38.8991452,19.4495726,31.19292295,38.8991452,4.862393151,19.44957261,1.07E-14,0.014183312,0.001772914,-3.404551378,31.00644972,3.875806215,2.747356191,38.8991452,19.4495726,31.19292295,38.8991452,4.862393151,19.44957261,1.07E-14,0.014183312,0.001772914,-3.404551378,31.00644972,3.875806215,2.747356191,55.22127318,27.36150465,44.79980625,54.85080433,6.856350541,27.36150465,-0.498263889,0.043737522,0.00546719,-2.50363914,28.56073598,3.570091997,2.681626325,0,11.79,12.21005852,-0.306947981,0.113285589,5.124353981,7.584528636,7,23,22,22,6,1,1,0,0,1,17.491312,3.522956524,3.270986581,2.757004616,2.333552793,2.078110866,1.436088184,0.983057018,0.90685681,1.91763473,1.713698804,1.38072873,1.249629723,0.984399341,0.641960797,0.379809899,0.349366804,3.549335011,3.300065945,2.800271486,2.405454588,2.145719637,1.534462971,1.105501695,1.035907903,1.859433504,1.647960609,1.293601867,1.134540686,0.866870995,0.497579853,0.221453298,0.187967209,3.665738735,3.429675518,2.990044223,2.704236987,2.434737102,1.938728939,1.589699459,1.539876748,1.689053983,1.45583215,1.027563309,0.76031856,0.490188384,0.013284451,0.323880236,0.370970303,3.568790828,3.321591866,2.83216962,2.457539916,2.195213073,1.605591067,1.192827331,1.127480563,1.82244249,1.606170109,1.237195309,1.058262671,0.789330388,0.400737673,0.114296581,0.078551079,3.722660241,3.493615541,3.081228629,2.838982085,2.568480993,2.117010064,1.795113545,1.751488829,1.636182762,1.396597811,0.942188778,0.631337262,0.363164119,0.158898994,0.524697387,0.578453007,3.604097335,3.388761412,2.890429419,2.561905788,2.232538369,1.650741398,1.273520318,1.217050746,1.88522611,1.559608265,1.112856773,0.943928259,0.69557704,0.327089381,0.042369411,0.062217196,0,0,1,1,0,2,3,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.144337567,0.288675135,0.204124145,0.11785113,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,5.983127663,3.37944541,2.613425644,1.189722705,0.670436988,0.319035594,0.166666667,0,0.747890958,0.482777916,0.373346521,0.237944541,0.167609247,0.106345198,0.083333333,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,6,1,0,2,0,0,0,0,0,0,0,0,2,1,3,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.646001512,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.379448696,0.320208333,0,0,1.400342971,0.290277778,0,0.699657029,0,0,0,0,0,0,0,0,4.506128118,3.657529289,3.824768519,0,1.988472222,0,0.856435185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.988472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.379448696,0.320208333,0,0,0.212046485,0.290277778,0,0.320208333,0,0,0,0,0,0,0,0,2.253064059,3.657529289,1.17875,0,1.988472222,0,0.856435185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.657529289,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.379448696,0.320208333,0,0,0.290277778,0.290277778,0,0.379448696,0,0,0,0,0,0,0,0,2.253064059,3.657529289,1.339305556,0,1.988472222,0,0.856435185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.83333333,1.854166667,0.379448696,3.657529289,0.212046485,0.856435185,5.874037263,0.476898148,0.657529289,2.327314815,0.476898148,0.657529289,2.327314815,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.375,0.125,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.09562,0.88695,8.40872,1.31311,0.16414,3.20517,0.40065,3.77005,0.56488,0.07061,0.14395,0.01799,0.14395,0.01799,0,7,0,0,0,0,0,0,0.75,0.918295834,2.215770674,3.355388542,3.438721876,3.40726823,3.331015105,22.03910002,53.17849618,80.52932501,82.52932501,81.77443751,79.94436251,0.200284263,0.483269094,0.731824642,0.75,0.743139825,0.726508691,3.666666667,2.369191827,1.229573959,1.146240625,1.177694271,1.253947396,0.200284263,0.483269094,0.731824642,0.75,0.743139825,0.726508691,6.73287657,17.20065,19.26519999,18.43317083,18.05572708,17.14068958,31.59900002,19.1084021,16.76278229,17.52694271,18.25325833,15.08822084,8,5.142857143,7.2,8,2,7,2.34,1.1928,0.721124785,4.146039495,1.754410643,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.126,0.12,0.128,0.152,3.431,7,5,4,3,2,0,0,0,0,36,2.197224577,2.197224577,1.945910149,1.791759469,1.609437912,1.609437912,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,0,144.287877,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,112.1252005,4.671883355,14.66595917,1.833244896,0,0,0,79,5,4.465,28,1.227,2.134253021,2.899043529,3.541574812,4.651630558,5.705100636,6.839837054,7.766401447,0,0,74.89491166,75.66658662,67.46746403,66.99903336,92.47387883,97.0507197,52.1182874,7.89116092,0,0,281.0620545,336.0934119,350.0486093,356.7366824,495.140067,546.9583502,553.2869337,241.4088377,0,0,8.925452504,15.19152468,20.37128242,24.61734666,32.44924077,39.60668973,47.57882437,52.17828853,0,0,2.127440242,2.777631007,3.105949093,3.279830041,4.51220407,5.124595214,5.765325885,3.453042308,0,0,175.9203541,329.7896096,467.2851589,591.7883472,768.1174276,956.649272,1135.319957,1436.14472,0,0,2.791311594,3.806907155,4.822179685,5.381816583,7.7315352,10.17678051,13.31412726,7.766401447,0,0,0.440993152,0.585565029,0.663330529,0.705973791,0.969057597,1.106317757,1.260780028,0.795279508,0,0,390.7417386,195.6075469,11.93679972,148.0288024,-74.10406429,-9.837399118,242.7129362,269.7116112,21.77419884,0.725247037,0.363062811,0.022155628,0.274752963,-0.137542903,-0.018258977,210.5201379,105.3875839,6.431196043,79.75355796,-39.92508681,-5.300100845,0.113122622,0.205012556,2.249751183,5.132105268,538.770541,0,1,0,455.2209468,21.33590745,7.692616449,610.8504609,24.71538915,8.484865622,719.8177212,26.82941895,8.962053073,2.034470702,2.034470702,766.2028241,717.4835576,82.38725903,1.067902973,9.300015962,8.708671292,4.469623153,4.57798827,8.978775629,0.961292843,4.707395531,5.811923829,3.617252674,21.53240082,8.240790793,4.103609323,6.443954427,11.36950575,9.880007221,1.436507262,3.069225501,4.042751858,3.50153134,1.80168698,1.28130725,0.173331813,1.911882861,3.18E-12,1.02E-45,6.30E-101,7.52E-178,1.73E-276,0,0,0,0,0,0,0,0,0.395069795,5.811642418,0.227830462,7.170408176,0.557602363,0.17401124,0.573869727,0.422252612,2.937953626,0.061436166,0.074199601,1.013449574,0.14348486,0.712548647,0.1047183,0.014047112,0.013465547,2.24E-14,7.18E-48,4.44E-103,5.30E-180,1.22E-278,0,0,0,0,0,0,0,0,1.275307413,5.81166178,0.785372069,8.672359958,1.08196357,0.666822558,1.589204899,1.673361507,3.97725309,0.237203119,0.333199,1.404705998,0.562272584,0.913834586,0.339896962,0.045674876,0.140321385,2.33E-13,7.48E-47,4.63E-102,5.52E-179,1.27E-277,0,0,0,0,0,0,0,0,4.443398039,5.81189313,3.362239635,20.14741167,7.401119634,3.753620838,6.019897193,10.35140759,9.321394258,1.315211165,2.761222673,3.776963664,3.201618258,1.727570848,1.207512648,0.163267208,1.703453209,2.83E-12,9.08E-46,5.62E-101,6.70E-178,1.54E-276,0,0,0,0,0,0,0,0,1.879562943,5.811686379,1.207986835,10.12789162,1.751888898,1.096960668,2.340499818,2.824217834,4.802852974,0.389012871,0.615613751,1.740718619,0.928934444,1.058255438,0.502820849,0.067649309,0.304796799,5.07E-13,1.62E-46,1.00E-101,1.20E-178,2.76E-277,0,0,0,0,0,0,0,0,5.684859415,5.81205279,4.615400933,27.23464275,11.76904104,5.523698828,8.087503647,15.53409653,12.10002121,1.92775367,4.351151474,5.118061947,4.7190858,2.084553066,1.556539094,0.210952256,2.788301472,4.64E-12,1.49E-45,9.19E-101,1.10E-177,2.52E-276,0,0,0,0,0,0,0,0,2.650813001,4.259011338,1.701130417,11.27996695,2.711098473,1.586852771,3.650073698,4.184331562,5.889101627,0.581331496,0.985572611,2.73780781,1.341341198,1.898521498,1.096804872,0.098945315,0.556113889,9.25E-13,2.96E-46,1.83E-101,2.19E-178,5.03E-277,0,0,0,0,0,0,0,0,6.867346246,1.142697829,0.51359917,0.805682036,0.134062137,0.496226967,0.479244265,0.394133524,8.523643245,11.96125363,24.51526449,0.708523054,1.369604756,6.289636869,0.584596022,0.15079477,0.895318449,0.083216188,0.415999046,0.124252016,0.033141362,7.025027661,4.713495057,12.29297951,0.842977674,0.573392423,6.519049061,0.805575092,0.295604975,0.855492525,0.105715337,0.4470022,0.236639617,0.129303127,7.620229127,7.416778882,16.58940223,0.783238788,0.812944944,6.853040266,1.128825051,0.504676428,0.807518595,0.133013551,0.494153862,0.467549047,0.380476755,8.486541745,11.76414281,24.15480262,0.711277892,1.342179664,6.62132256,0.904409242,0.359803117,0.839679569,0.114692187,0.461186778,0.298804033,0.192339065,7.885534919,8.696167079,18.7363417,0.759519353,0.952329876,6.912135589,1.186141794,0.541520751,0.800034385,0.137288137,0.502745881,0.516824537,0.438413791,8.639798134,12.58415816,25.66376195,0.700051578,1.457984209,6.913871752,1.128816865,0.504202693,0.808934091,0.132073385,0.502961709,0.467470537,0.379683756,8.54689131,11.8596403,24.34157902,0.713401136,1.350116001 +UMLS0218,L,6-methyl-1-heptene,CC(C)CCCC=C,21122,[9] has RON of 63.8,UML,[1],C8H16,PubChem,,1,0,-0.9841,0.96845281,23.5831,17.603516,0,0,18,6,12,0,5,0,1,0,0,0,0,0,0,0,989.481374,918.525433,1047.196341,759.190535,509.05819,144.307296,12.192768,0,0,2706.980219,3340.91352,4157.215774,3778.220615,2628.230973,1391.118395,373.0049332,0,0,131.675864,127.961068,226.90794,286.73066,235.343872,152.140032,80.621568,0,0,19.92305886,25.2786954,34.06730449,33.40795106,24.78086426,14.28985608,5.335354858,0,0,3038.434891,2530.053054,4954.678529,6588.374072,5695.167103,3661.504836,2219.011824,0,0,62.27777778,43.25,69,85.33333333,63,43,12,0,0,54.97118744,54.03090782,33.78052713,19.46642397,15.42600576,6.871776,1.016064,0,0,150.3877899,196.5243247,134.1037346,96.87745167,79.64336282,66.24373311,31.08374443,0,0,7.315325778,7.527121647,7.319610968,7.352068205,7.131632485,7.244763429,6.718464,0,0,1.106836603,1.486982082,1.098945306,0.85661413,0.750935281,0.680469337,0.444612905,0,0,168.8019384,148.8266503,159.8283396,168.9326685,172.5808213,174.3573732,184.917652,0,0,3.459876543,2.544117647,2.225806452,2.188034188,1.909090909,2.047619048,1,0,0,0.220654315,-0.110170166,0.010128236,-0.03047214,0.029655762,-0.029263732,0.019794884,0,0,557.7912351,-66.11605249,-82.74028647,-208.688303,53.95116685,-156.8147364,181.5125939,0,0,815.6252945,-79.2452518,-254.7450064,-219.4417625,43.45488204,-160.1415306,262.3060219,0,0,1.059967111,-0.095141383,0.003255753,-0.34703363,0.001078519,-0.216447407,0.124304593,0,0,3.576219349,-0.265723223,-1.464103123,-0.631566778,-0.003619501,-0.405885722,0.982788672,0,0,19.7674611,-1.32649563,-8.520916016,-2.96031819,-0.375585911,-1.745405988,5.044991183,0,0,23.75308642,-4.242112483,1.73079561,-8.215020576,1.961934156,-5.684156379,2.572016461,0,0,0.012258573,-0.006480598,3.27E-04,-7.81E-04,8.99E-04,-0.001393511,0.001649574,0,0,30.98840195,-3.889179558,-2.669041499,-5.350982127,1.634883844,-7.4673684,15.12604949,0,0,45.31251636,-4.6614854,-8.21758085,-5.626711858,1.316814607,-7.62578717,21.85883516,0,0,0.058887062,-0.005596552,1.05E-04,-0.008898298,3.27E-05,-0.010307019,0.010358716,0,0,0.198678853,-0.015630778,-0.047229133,-0.01619402,-1.10E-04,-0.019327892,0.081899056,0,0,1.098192283,-0.078029155,-0.274868259,-0.075905595,-0.011381391,-0.083114571,0.420415932,0,0,1.319615912,-0.249536028,0.055832116,-0.210641553,0.05945255,-0.270674113,0.214334705,0,0,-0.528658434,0.026652146,-0.063737999,0.073308651,-0.11367645,0.134564901,0,0,-0.12550436,-0.086130337,-0.17267693,0.052757927,-0.240973007,0.488119701,0,0,-0.102874123,-0.181353443,-0.124175665,0.029060726,-0.168293173,0.482401705,0,0,-0.095038736,0.001783487,-0.151107865,5.55E-04,-0.175030288,0.175908183,0,0,-0.078673586,-0.237715954,-0.081508524,-5.52E-04,-0.097282077,0.412218285,0,0,-0.071052361,-0.250291559,-0.069118674,-0.010363751,-0.075683077,0.382825429,0,0,-0.189097469,0.042309369,-0.159623381,0.04505292,-0.20511583,0.162422037,0,0,1.431002721,0.714570162,1.198708637,0.869018289,1.287923142,0.337304366,0,0,1.409452341,1.137818133,1.154835598,0.773951304,1.104188892,0,0,0,1.590373361,1.337815477,1.023064922,0.77454043,0.906286043,0,0,0,1.043987109,0.822591682,1.402198901,0.806118551,1.355438462,0,0,0,1.655711089,1.428720052,0.971518306,0.781771449,0.80356753,0,0,0,1.661705788,1.443354215,0.96545488,0.784799804,0.783613671,0,0,0,1.149558212,0.778544363,1.40539541,0.762686638,1.397312147,0,0,0,21.0931329,10.67156645,16.73713056,21.25979956,3.543299927,10.67162594,0.25,0.102950955,0.017158493,-1.364101539,23.20197762,3.86699627,1.88654251,21.09611656,10.67269107,16.7385286,21.26229361,3.543715602,10.67275048,0.249265579,0.102877784,0.017146297,-1.364528135,23.19538835,3.865898058,1.886372089,23.78300691,11.69200622,18.10347587,23.5170106,3.919501766,11.69202563,-0.398994478,0.023781959,0.00396366,-2.243296809,19.69194089,3.281990148,1.788125676,21.09924811,10.67387145,16.73999615,21.26491131,3.544151884,10.67393078,0.2484948,0.102800957,0.017133493,-1.364976368,23.18848087,3.864746811,1.886193385,26.69700248,12.80735411,19.94147926,25.97547297,4.329245494,12.8073603,-1.082294264,0.09280724,0.015467873,-1.426338372,21.50729029,3.584548382,1.841035177,21.40627616,10.78970517,16.88502839,21.52169895,3.586949825,10.78975701,0.173134186,0.095123446,0.015853908,-1.41154788,22.55100076,3.758500126,1.869467667,23.03258599,11.80795966,19.15018972,23.42147488,3.903579147,11.80798076,0.583333333,0.120670678,0.02011178,-1.26881407,19.21464693,3.202441154,1.773403709,0,11.99640057,15.99794223,-0.418488723,0.077562269,4.418856186,6.619769203,5,17,17,17,5,0,0,0,0,0,13.118484,3.451581157,2.964392103,2.244612376,2.047170761,1.402796895,0.896721912,0.083923071,0.083923071,1.846911721,1.54731245,1.142493283,0.761946115,0.581728649,0.291315589,0.083923071,0.083923071,3.447177728,2.973650549,2.307442282,1.88324323,1.455961778,0.967025283,0.270913902,0.270913902,1.800233664,1.477806211,1.031339843,0.744058134,0.482374437,0.158406045,0.270913902,0.270913902,3.598945262,3.187569899,2.606235828,2.357725681,1.920050375,1.515824543,0.943918427,0.943918427,1.597611338,1.19771994,0.656174569,0.232926156,0.052449434,0.439804323,0.943918427,0.943918427,3.460749678,2.997394463,2.357445623,1.876090148,1.505808893,1.03263438,0.399277246,0.399277246,1.771976535,1.433484879,0.958849347,0.735180646,0.396024085,0.0587047,0.399277246,0.399277246,3.652564249,3.269390762,2.737527918,2.44188618,2.094471537,1.719106223,1.207644823,1.207644823,1.543823786,1.117110629,0.529395576,0.126738149,0.218084872,0.639291409,1.207644823,1.207644823,4.292345084,3.335754446,2.940736508,2.469335657,1.72747684,1.285185569,0.6,0.6,1.69685714,1.256790354,0.799608281,0.343283694,0.078193555,0.32389892,0.6,0.6,0,0,0,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.182574186,0,0,0,0.288675135,0.288675135,0,0.129099445,0.129099445,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.438777427,2.450904231,1.637696501,0.706449714,0.417774579,0,0,0,0.739796238,0.490180846,0.3275393,0.235483238,0.20888729,0,0,0,8.965765927,17.6576839,16.70196078,16.96,10.27156647,139.5813569,0.498098107,0.980982439,0.92788671,0.942222222,0.570642582,7.754519827,1.1673,26.5888,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.625277778,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0.625277778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.574722222,0,0,0,0,0,0,0,0,0,0,0,3.87125,0,2.011574074,0,0,0,-0.101851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.625277778,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0.625277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,1.809027778,0,0.930555556,0,0,0,-0.101851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.625277778,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0.625277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.062222222,0,1.081018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,2.388888889,0.625277778,8.552361111,0.24,-0.101851852,2.598671667,1.435185185,2.552361111,5.229166667,1.435185185,2.552361111,5.229166667,2.83333,0.47222,0,0.02778,0.47593,0.82778,0.42,0.47593,0.75238,0.05593,0,-0.05593,0.0754,0.57047,0.14382,0,0.47059,0.17647,0,2.75,0.45833,2.75,0.45833,0,0,-2.75,-0.45833,0,0,4.92873,0.82145,5.69868,0.76996,0.12833,2.47593,0.41266,2.77005,0.29412,0.04902,0.14395,0.02399,0.14395,0.02399,0,5.01,1,1,1,1,1,1,1,1.134969975,1.833605679,2.86382639,3.308270835,3.007435418,2.372180556,20.42945954,33.00490222,51.54887502,59.54887502,54.13383752,42.69925001,0.272179949,0.439721501,0.68678127,0.793364589,0.721220506,0.56887847,3.034955027,2.336319323,1.306098611,0.861654167,1.162489584,1.797744445,0.27767102,0.448592623,0.700636679,0.809370253,0.735770705,0.580355259,10.25843817,15.60956847,19.09055624,18.3171257,16.68881428,10.95563906,21.93297423,16.70416525,14.36524723,14.70693473,12.27502153,8.385965281,6,3.2,5.333333333,6,0,5,1.9,0.8718,0.25,2.149139864,1.154700538,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,2.891,5,3,2,0,0,0,0,0,0,21,1.791759469,1.791759469,1.386294361,1.098612289,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,20.23,103.8266085,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,88.088815,4.893823056,10.67917749,1.779862916,2.347570326,2.347570326,0,32,3,1.311,20,1.216411765,2.109456663,2.838347754,3.462022645,4.576646605,5.32052519,0,0,0,0,77.15821427,80.22774842,62.67236103,66.01177519,33.73286656,5.405994107,0,0,0,0,263.9099389,303.8103253,294.620486,313.4245243,319.2305716,165.3818452,0,0,0,0,9.180431628,15.53605194,20.93785587,24.77905529,33.27968454,35.74575695,0,0,0,0,1.941447524,2.433242608,2.543787937,2.845610608,3.236807085,2.36557416,0,0,0,0,178.6200885,333.8264647,476.921943,588.3334501,792.231694,983.8590256,0,0,0,0,3.146416667,4.937608595,6.356237931,6.937490128,9.644260913,5.32052519,0,0,0,0,0.425350094,0.553804064,0.595625699,0.659406088,0.772268979,0.544821779,0,0,0,0,342.5702258,198.0253776,14.79615944,165.5153326,-95.67742249,-19.54817239,177.0548932,293.7028001,34.34433184,0.674237282,0.389748093,0.029121393,0.325762718,-0.188309667,-0.038474174,174.0549844,100.6138345,7.517714933,84.09595016,-48.61231663,-9.932144085,0.363467694,0.679435028,10.53325134,20.27831605,449.259825,58.82573339,0.884220812,0.115779188,346.0061755,18.60124124,7.020390718,470.5945044,21.69319028,7.778256915,542.2927022,23.28717892,8.154761302,1.741404689,1.741404689,318.9571562,276.1450121,69.94207738,1.155035008,4.560304299,3.948195742,3.616270107,3.220194404,6.42424645,0.994987148,3.782243497,4.176849799,2.985987976,11.74758675,6.953251467,1.474400629,2.973013093,9.335118736,2.44904464,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337322539,4.30372162,0.226660141,4.185311385,0.33121844,0.023271695,0.275000569,0.494874788,1.050814869,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0.969469194,4.067497601,0.656187855,4.535056629,0.8381944,0.12481751,0.66872299,1.565392528,1.168080276,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.793087398,4.303384815,2.981656037,11.63381103,6.449908436,1.35490191,2.75301997,9.034932801,2.648310682,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.361918399,3.977740588,0.937022594,5.039449567,1.404897453,0.242638299,0.985654496,2.391661098,1.211198142,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.748236975,4.257085854,3.89484302,15.16567911,9.855805963,2.146325321,3.852338186,12.72197443,3.142420634,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.484116726,4.488422505,2.492409635,10.88401644,3.940693416,0.735478855,1.533927549,6.507276107,3.688916459,1.718839852,0.058521852,0.405615798,2.89E-15,3.97E-51,1.05E-108,5.38E-188,5.30E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.843356927,0.859642976,0.554820098,0.730979175,0.163497985,0.537692175,0.439323599,0.429968814,5.257820002,5.913233657,13.00413199,0.596468762,1.406984588,3.030096714,0.679301343,0.154080312,0.784292398,0.175826361,0.345968709,0.258250799,0.031991651,3.863478369,2.629893978,6.810523368,0.676438597,0.636211159,3.427492085,0.65763866,0.324374519,0.777296291,0.149141144,0.428726489,0.262314909,0.149743546,4.409505263,3.579163622,8.719825692,0.665944436,0.840784945,3.782328955,0.886883113,0.535901053,0.726656437,0.170386905,0.521339447,0.4649001,0.393945833,5.205113121,5.856719343,12.8595038,0.589984656,1.38018538,3.605732944,0.667590757,0.401570654,0.771297204,0.142803389,0.473235806,0.274955696,0.236574735,4.674894356,4.12319538,9.764732136,0.656945806,0.984766237,3.880853964,0.895377373,0.580158675,0.724527892,0.167160601,0.548268635,0.474151522,0.465924071,5.356390012,6.24580087,13.61814297,0.586791838,1.488344228,3.799502782,0.886914074,0.536959249,0.727403638,0.169797092,0.52604608,0.464828021,0.395485965,5.223376105,5.88624737,12.9190862,0.591105457,1.386360067 +UMLS0219,L,2-pentanol,CCCC(C)O,22386,Sandia values from the co-optima database which were measured by NREL and PNNL,Sandia,,C5H12O,PubChem,,8.6,0,0.6916,0.47831056,31.0165,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1117.887126,893.95858,652.923435,450.070322,143.338608,15.24096,0,3399.790734,4147.41404,5146.671182,4997.655438,3914.513922,2721.213111,1572.940224,466.2561665,0,146.842108,144.889944,254.780376,302.16136,311.183724,207.98804,145.478592,100.77696,0,25.74688067,32.32302034,43.45041525,45.21878842,37.74334449,26.0541382,16.69511646,6.669193573,0,3476.407621,2904.481805,5672.393611,6924.088246,7638.202784,5049.741717,3533.524545,2773.76478,0,40.52777778,45.33333333,63.41666667,75.33333333,66.16666667,48.5,35,15,0,48.76541633,51.7541979,31.05242017,20.78973442,14.50940967,15.00234407,6.825648,1.016064,0,161.8947969,207.370702,142.9630884,116.2245451,86.98919828,90.70710369,74.90191545,31.08374443,0,6.992481333,7.2444972,7.077232667,7.027008372,6.915193867,6.932934667,6.927552,6.718464,0,1.226041937,1.616151017,1.206955979,1.051599731,0.838740989,0.868471273,0.795005546,0.444612905,0,165.54322,145.2240902,157.5664892,161.025308,169.7378397,168.3247239,168.2630736,184.917652,0,1.92989418,2.266666667,1.761574074,1.751937984,1.47037037,1.616666667,1.666666667,1,0,0.043380486,-0.004342931,-0.010589637,-0.02082192,0.013109579,2.31E-04,-0.012314967,0.013038351,0,564.9747087,-53.80711511,-80.71067267,-269.0355756,80.71067267,-2.17E-13,-161.4213453,201.7766817,0,1050.594596,-100.0566282,-150.0849423,-500.283141,150.0849423,1.42E-13,-300.1698846,375.2123557,0,0.110674667,-0.010540444,-0.015810667,-0.052702222,0.015810667,-4.52E-16,-0.031621333,0.039526667,0,4.696646663,-0.447299682,-0.670949523,-2.236498411,0.670949523,-2.58E-15,-1.341899046,1.677373808,0,25.51225921,-2.429738973,-3.644608459,-12.14869486,3.644608459,-4.22E-15,-7.289216918,9.111521147,0,5.383597884,-1.402368355,0.982615268,-2.768266566,0.467687075,1.035336357,-2.30026455,1.293461829,0,0.002065737,-2.17E-04,-2.94E-04,-4.84E-04,2.91E-04,7.71E-06,-5.86E-04,8.69E-04,0,26.90355756,-2.690355756,-2.24196313,-6.256641292,1.793570504,-7.22E-15,-7.68673073,13.45177878,0,50.0283141,-5.00283141,-4.169026175,-11.63449165,3.33522094,4.74E-15,-14.29380403,25.01415705,0,0.005270222,-5.27E-04,-4.39E-04,-0.001225633,3.51E-04,-1.51E-17,-0.001505778,0.002635111,0,0.223649841,-0.022364984,-0.018637487,-0.052011591,0.014909989,-8.60E-17,-0.063899955,0.111824921,0,1.214869486,-0.121486949,-0.101239124,-0.282527788,0.080991299,-1.41E-16,-0.347105568,0.607434743,0,0.256361804,-0.070118418,0.027294869,-0.064378292,0.010393046,0.034511212,-0.109536407,0.086230789,0,-0.105118169,-0.142397854,-0.234410572,0.141026628,0.003732012,-0.283882634,0.420781162,0,-0.1,-0.083333333,-0.23255814,0.066666667,-2.69E-16,-0.285714286,0.5,0,-0.1,-0.083333333,-0.23255814,0.066666667,9.47E-17,-0.285714286,0.5,0,-0.1,-0.083333333,-0.23255814,0.066666667,-2.86E-15,-0.285714286,0.5,0,-0.1,-0.083333333,-0.23255814,0.066666667,-3.85E-16,-0.285714286,0.5,0,-0.1,-0.083333333,-0.23255814,0.066666667,-1.16E-16,-0.285714286,0.5,0,-0.273513514,0.106470106,-0.251122793,0.040540541,0.134619165,-0.427272727,0.336363636,0,1.41821491,1.179729366,1.179146148,0.716520779,0.941988158,1.268344768,0.088256024,0,1.5,1.19047619,1.245847176,0.761904762,0.857142857,1.12244898,0,0,1.5,1.19047619,1.245847176,0.761904762,0.857142857,1.12244898,0,0,1.5,1.19047619,1.245847176,0.761904762,0.857142857,1.12244898,0,0,1.5,1.19047619,1.245847176,0.761904762,0.857142857,1.12244898,0,0,1.5,1.19047619,1.245847176,0.761904762,0.857142857,1.12244898,0,0,1.640786241,0.600532351,1.411119365,0.722358722,0.841031941,1.769041769,0,0,29.0322193,14.51610965,23.28706805,29.0322193,4.1474599,14.51611113,-1.78E-15,0.130230827,0.018604404,-1.426912769,23.80541052,3.400772932,2.218939021,29.0322193,14.51610965,23.28706805,29.0322193,4.1474599,14.51611113,-1.78E-15,0.130230827,0.018604404,-1.426912769,23.80541052,3.400772932,2.218939021,29.0322193,14.51610965,23.28706805,29.0322193,4.1474599,14.51611113,-1.78E-15,0.130230827,0.018604404,-1.426912769,23.80541052,3.400772932,2.218939021,29.0322193,14.51610965,23.28706805,29.0322193,4.1474599,14.51611113,-1.78E-15,0.130230827,0.018604404,-1.426912769,23.80541052,3.400772932,2.218939021,29.0322193,14.51610965,23.28706805,29.0322193,4.1474599,14.51611113,-1.78E-15,0.130230827,0.018604404,-1.426912769,23.80541052,3.400772932,2.218939021,29.0322193,14.51610965,23.28706805,29.0322193,4.1474599,14.51611113,-1.78E-15,0.130230827,0.018604404,-1.426912769,23.80541052,3.400772932,2.218939021,39.96439291,19.78299011,32.67192553,39.67981241,5.66854463,19.78299011,-0.398412698,0.172733698,0.024676243,-1.229202931,21.81427286,3.116324694,2.157795132,0,11.89,12.11009426,-0.173302362,0.049665741,5.149588588,7.53557178,6,20,19,19,5,1,1,0,0,1,15.304898,3.527651715,3.160096539,2.526209549,2.223306854,1.790620404,1.247882563,0.424404909,0.083923071,1.894507479,1.666989278,1.30096929,1.108237756,0.850586657,0.575343649,0.083923071,0.083923071,3.550768366,3.194777382,2.582661661,2.291963745,1.874478283,1.362711948,0.536926724,0.270913902,1.837947883,1.594321329,1.197702114,0.996156127,0.719729217,0.422948026,0.270913902,0.270913902,3.655391577,3.34687131,2.825635698,2.579080168,2.223370313,1.819538192,0.963715902,0.943918427,1.676838473,1.377077027,0.87272197,0.633235659,0.288618046,0.098398575,0.943918427,0.943918427,3.567961224,3.220319149,2.6240445,2.341817624,1.935321748,1.444751355,0.616167386,0.399277246,1.802368147,1.547715939,1.130052228,0.92198642,0.632535392,0.320061387,0.399277246,0.399277246,3.708023142,3.420429104,2.939518756,2.709310837,2.379895731,2.014857828,1.207644823,1.207644823,1.628433413,1.308440853,0.765114478,0.508794749,0.138379652,0.288840133,1.134156552,1.207644823,3.62179896,3.230156134,2.639898553,2.556858088,1.956261107,1.476857074,0.659651977,0.53164557,1.840573605,1.492665681,1.084582076,0.732607858,0.547237887,0.25394137,0.53164557,0.53164557,0,0,1,0,1,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.25,0,0,0,0.288675135,0.204124145,0.204124145,0.176776695,0.125,0.125,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,5.328427125,2.914213562,2.060660172,0.957106781,0.478553391,0.301776695,0,0,0.761203875,0.48570226,0.343443362,0.239276695,0.159517797,0.150888348,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,2,1,3,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.099907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.361875,0,0,0,0.97625,0.580555556,0,0.361875,0,0,0,0,0,0,0,0,4.276388889,3.792638889,3.79037037,0,0,0,0,0,0,1.307268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.307268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.361875,0,0,0,0.216944444,0.290277778,0,0.361875,0,0,0,0,0,0,0,0,2.079027778,3.792638889,1.204861111,0,0,0,0,0,0,1.307268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.792638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.361875,0,0,0,0.290277778,0.290277778,0,0.361875,0,0,0,0,0,0,0,0,2.197361111,3.792638889,1.300925926,0,0,0,0,0,0,1.307268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.16666667,1.880952381,0.361875,3.792638889,0.071597222,1.204861111,4.696092824,0.359398148,0.792638889,2.138055556,0.359398148,0.792638889,2.138055556,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.75577,0.82225,7.02591,1.27014,0.18145,2.72875,0.38982,3.27005,0.5413,0.07733,0.14395,0.02056,0.14395,0.02056,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.153291232,3.368042423,3.463280518,3.558518613,3.140202668,19.28421252,45.21911587,70.72889087,72.72889087,74.72889087,65.94425603,0.209068641,0.49024035,0.766803056,0.788485937,0.810168818,0.714930722,3.474021589,2.239026191,1.024275,0.929036905,0.83379881,1.252114755,0.209068641,0.49024035,0.766803056,0.788485937,0.810168818,0.714930722,6.73287657,17.21697421,19.48810467,18.5372142,19.68007134,14.66028,27.64912502,16.33397711,14.3059685,15.14260039,13.77556186,11.26566619,7,4.166666667,6,7,2,6,2.23,1.0519,0.814325285,3.639717277,1.889881575,0,2.381101578,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.104,0.088,0.143,0.175,3.137,6,4,3,2,0,0,0,0,0,28,2.079441542,2.197224577,1.791759469,1.609437912,1.386294361,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,0,126.9918924,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,98.10955045,4.671883355,12.67036528,1.810052182,0,0,0,52,4,3.45,24,1.2229,2.118990253,2.921200347,3.583132494,4.631510173,5.724076397,6.446029286,0,0,0,73.6156376,74.85494167,69.15483024,64.19080284,81.55321812,41.04226786,6.5495783,0,0,0,277.7186352,328.6771511,362.5315093,350.5542731,463.0924858,443.6159053,200.3667269,0,0,0,8.892335553,15.05442701,20.575256,24.88230111,32.24168017,39.72480008,43.3074157,0,0,0,2.107286619,2.714253312,3.209232546,3.254721809,4.310593495,4.669593597,2.865987805,0,0,0,175.5375183,329.7297233,467.0004986,600.4581515,769.6192753,957.498226,1191.9846,0,0,0,2.84095,3.898519662,5.236386978,5.470822395,7.853261168,9.663703028,6.446029286,0,0,0,0.4370085,0.572331015,0.684793985,0.701714724,0.928999095,1.023177262,0.660073399,0,0,0,368.0887611,156.8909707,10.52337661,163.312847,-69.60905577,-10.61951977,204.7759141,226.5000265,21.14289639,0.692675286,0.295239925,0.019803058,0.307324714,-0.130991429,-0.019983981,195.6029596,83.37211415,5.592139255,86.78470955,-36.99036418,-5.643229886,0.125358261,0.233934812,2.986716478,4.899718279,531.4016082,0,1,0,395.3145785,19.88251942,7.339181199,531.3577082,23.05119754,8.099576812,612.4650146,24.74803052,8.492334564,1.797741956,1.797741956,514.0937425,458.6729374,72.15020129,1.120828592,7.125326517,6.357195534,4.058772905,4.462585949,7.652389268,0.714788097,4.067936095,4.914041019,5.068419723,15.29788286,4.218150879,4.148088568,3.628330405,10.51231436,7.464314149,1.540912493,2.42846316,1.033338574,3.850075463,1.432305862,1.13E-05,1.26E-31,2.70E-79,1.12E-148,8.90E-240,0,0,0,0,0,0,0,0,0,0,0,0.341404395,4.913792843,0.214993315,5.659297533,0.04309978,0.18823946,0.464064611,0.41178263,2.617126358,0.053964939,0.051315719,0.058804505,0.213495371,0.010087847,7.96E-08,8.85E-34,1.90E-81,7.86E-151,6.27E-242,0,0,0,0,0,0,0,0,0,0,0,1.102068962,4.91380993,0.832639481,6.522072995,0.343444484,0.712862358,1.025546253,1.637862843,3.046590055,0.22385775,0.26607409,0.144738154,0.761417388,0.105123147,8.30E-07,9.23E-33,1.98E-80,8.19E-150,6.53E-241,0,0,0,0,0,0,0,0,0,0,0,3.839800494,4.914013949,4.639326663,14.31702158,3.767323127,3.805317553,3.404753987,9.598340465,6.969480788,1.402610571,2.187253243,0.933706344,3.558680897,1.276158737,1.01E-05,1.12E-31,2.40E-79,9.94E-149,7.93E-240,0,0,0,0,0,0,0,0,0,0,0,1.62424134,4.913831627,1.367397995,7.442339293,0.713483998,1.157226054,1.436049607,2.727651338,3.507664365,0.380159833,0.493806557,0.237277841,1.195264569,0.228341522,1.80E-06,2.00E-32,4.30E-80,1.78E-149,1.42E-240,0,0,0,0,0,0,0,0,0,0,0,4.912619538,4.91415473,6.806999954,19.37328788,6.1090368,5.531157392,4.490039689,14.23201008,9.521377945,2.106656131,3.430195383,1.44761703,5.007056715,2.08888349,1.65E-05,1.83E-31,3.93E-79,1.63E-148,1.30E-239,0,0,0,0,0,0,0,0,0,0,0,2.266920431,3.757149747,1.846486224,8.66052552,1.257936613,1.663275555,1.674339541,3.953586551,4.469001435,0.537360689,0.81283429,0.371979623,1.77342913,0.404836972,3.20E-06,3.55E-32,7.62E-80,3.15E-149,2.52E-240,0,0,0,0,0,0,0,0,0,0,0,5.641508259,1.181860504,0.3952263,0.781524412,0.16372445,0.556261604,0.459353875,0.476172797,7.218595063,9.364250586,19.21800744,0.672286617,1.491788276,4.608146127,0.650520212,0.085204558,0.862323626,0.121732022,0.373695177,0.144098673,0.022130874,5.343870896,3.445754534,9.045042467,0.793485439,0.539924724,5.017567064,0.862548289,0.208335131,0.824112322,0.141669591,0.441594982,0.250022815,0.132311602,6.088450484,5.552928488,12.54303131,0.736168483,0.823929399,5.615831169,1.168799971,0.387551035,0.783001747,0.162962951,0.551274901,0.449665249,0.457857898,7.172182175,9.193174127,18.90915732,0.67450262,1.458798048,5.200507423,0.956613335,0.263219495,0.810004956,0.148997296,0.473811332,0.305621921,0.211207342,6.420340253,6.595548966,14.32537324,0.715007434,0.990640595,5.721923477,1.222722442,0.419255505,0.777023367,0.16604275,0.572028076,0.490270017,0.535834232,7.363901425,9.907905282,20.20505416,0.66553505,1.598132325,5.624942044,1.175383994,0.387200299,0.782597765,0.163531087,0.553225108,0.455721533,0.457029546,7.187526337,9.244555122,18.9920434,0.673896647,1.465976187 +UMLS0220,L,2-Methyl-1-Hexene,CCCCC(=C)C,22468,,"Sandia, UML",[1],C7H14,PubChem,,11.9,0,0.202,0.040804,31.7974,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1637.551784,758.929586,162.729504,12.192768,0,0,3885.475125,5223.921076,7758.63172,8463.052758,6034.399303,2421.799685,373.0049332,0,0,167.819552,174.20624,341.883496,485.318816,499.74356,346.633344,80.621568,0,0,29.42500648,40.12790896,63.51436973,74.85198059,60.78223392,29.3645722,5.335354858,0,0,3973.037281,3464.315612,7404.551417,11086.11766,12053.2006,9112.84921,2219.011824,0,0,36.55555556,44.52777778,74.83333333,102.9166667,100.3333333,58,12,0,0,48.76541633,56.15943233,37.32917321,23.73263455,10.54068869,3.190774588,1.016064,0,0,161.8947969,217.6633782,161.6381608,122.6529385,83.81110144,47.48626834,31.08374443,0,0,6.992481333,7.258593333,7.122572833,7.033606029,6.940882778,6.796732235,6.718464,0,0,1.226041937,1.671996207,1.323216036,1.084811313,0.844197693,0.575775925,0.444612905,0,0,165.54322,144.3464838,154.2614879,160.6683719,167.4055639,178.6833178,184.917652,0,0,1.523148148,1.855324074,1.559027778,1.491545894,1.393518519,1.137254902,1,0,0,0.032203389,-0.00310484,-0.004656838,-0.008608007,-0.018786557,0.011712848,0.0073417,0,0,645.6853813,6.61E-13,-80.71067267,-282.4873543,-403.5533633,282.4873543,161.4213453,0,0,1200.679538,0,-150.0849423,-525.297298,-750.4247115,525.297298,300.1698846,0,0,0.126485333,2.94E-15,-0.015810667,-0.055337333,-0.079053333,0.055337333,0.031621333,0,0,5.367596186,1.23E-14,-0.670949523,-2.348323331,-3.354747616,2.348323331,1.341899046,0,0,29.15686767,-1.14E-13,-3.644608459,-12.75612961,-18.22304229,12.75612961,7.289216918,0,0,2.314814815,-0.861111111,-0.018518519,0.293981481,-1.592592593,0.56712963,0.453703704,0,0,0.001341808,-1.29E-04,-9.70E-05,-1.25E-04,-2.61E-04,2.30E-04,6.12E-04,0,0,26.90355756,2.75E-14,-1.681472347,-4.094019628,-5.604907824,5.538967732,13.45177878,0,0,50.0283141,0,-3.126769631,-7.613004319,-10.42256544,10.29994702,25.01415705,0,0,0.005270222,1.22E-16,-3.29E-04,-8.02E-04,-0.001097963,0.001085046,0.002635111,0,0,0.223649841,5.11E-16,-0.013978115,-0.034033671,-0.046593717,0.046045556,0.111824921,0,0,1.214869486,-4.74E-15,-0.075929343,-0.184871444,-0.25309781,0.250120188,0.607434743,0,0,0.096450617,-0.03587963,-3.86E-04,0.004260601,-0.022119342,0.011120189,0.037808642,0,0,-0.096413462,-0.072303542,-0.092974359,-0.194457342,0.171159879,0.455958218,0,0,1.02E-15,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,0,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,2.32E-14,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,2.29E-15,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,-3.90E-15,-0.0625,-0.152173913,-0.208333333,0.205882353,0.5,0,0,-0.372,-0.004,0.044173913,-0.229333333,0.115294118,0.392,0,0,1.53434748,1.171936794,1.124488657,1.134752217,0.462469473,0.00373952,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.4375,1.2578125,1.1875,1.078125,0.422794118,0,0,0,1.8975,0.8625,0.944,1.341666667,0.535764706,0,0,0,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,30.61324773,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.42E-14,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,36.07402827,17.779571,24.920579,35.98375049,4.497968812,17.77957107,-0.180555556,0.008520244,0.001065031,-3.812248206,54.49313446,6.811641808,3.198459776,0,11.89,12.11011416,-0.161991078,0.059143413,6.149298971,8.44548837,8,24,24,24,8,0,0,0,0,0,17.491312,3.662568552,2.973800316,2.902915108,2.396031084,1.985393484,1.294917089,1.278176966,0.792390288,2.011212266,1.54022329,1.504387675,1.214685823,0.944510801,0.575155562,0.537874807,0.286758099,3.685758973,3.012007932,2.943626107,2.45799801,2.0604522,1.398197764,1.3877502,0.927978128,1.959396753,1.458846327,1.418464269,1.108835618,0.824247442,0.424099041,0.391206314,0.121362333,3.788142724,3.181205256,3.123867309,2.720080337,2.373479569,1.830041584,1.818711967,1.453306025,1.808680643,1.215027091,1.15985455,0.770046168,0.432297313,0.089676213,0.104383501,0.454358695,3.702862323,3.040251952,2.973724661,2.503161463,2.114921857,1.472638375,1.466485782,1.023904459,1.926561094,1.406557435,1.363143968,1.039081412,0.744462569,0.322298474,0.292586285,0.00904167,3.838313253,3.263640204,3.211539392,2.840509364,2.514780484,2.02143336,2.002311217,1.672222781,1.762127238,1.138255146,1.078139684,0.655480765,0.297024546,0.275653238,0.282281325,0.669501345,3.697560489,3.111926141,3.078965348,2.635037069,2.24090125,1.596068139,1.585467024,1.175105639,1.916863436,1.31336699,1.253825865,0.870102584,0.587742437,0.156504632,0.140887544,0.170893966,0,0,0,0,0,2,4,2,0,0,0,0,0.083333333,0.166666667,0,0,0,0.083333333,0.166666667,0.471404521,0,0.166666667,0,0.471404521,0,0.166666667,0,1.138071187,1.040440115,1.138071187,1.138071187,1.040440115,1.138071187,5.983127663,3.804530453,3.239024819,2.540336414,1.501661279,1.024377395,0.333333333,0.083333333,0.747890958,0.475566307,0.323902482,0.230939674,0.150166128,0.102437739,0.083333333,0.083333333,5.983127663,3.804530453,3.239024819,2.540336414,1.501661279,1.024377395,0.333333333,0.083333333,0.747890958,0.475566307,0.323902482,0.230939674,0.150166128,0.102437739,0.083333333,0.083333333,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,31.15378298,42.72358734,62.30756596,7.788445745,31.15378298,3.33E-16,4.16E-17,-28.51055062,41.24325189,5.155406487,2.975590007,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.757592593,0,5.90212963,0,0,0,2.006944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.378796296,0,1.47337963,0,0,0,1.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.378796296,0,1.477685185,0,0,0,1.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.378796296,0.2,1.003472222,5.75305787,0.329861111,0.378796296,1.515185185,0.329861111,0.378796296,1.515185185,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.47399,1.05925,8.47399,0,0,3.80452,0.47556,3.80452,0,0,0.10948,0.01369,0.19548,0.02444,0.25,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.522055209,2.688721876,2.284159128,2.284159128,22.03910002,34.03910002,60.52932501,64.52932501,54.81981907,54.81981907,0.200284263,0.309336409,0.550071066,0.586421781,0.498184909,0.498184909,3.666666667,3.166666667,2.062907292,1.896240625,2.300803373,2.300803373,0.200284263,0.309336409,0.550071066,0.586421781,0.498184909,0.498184909,6.73287657,12.73287657,15.67730206,14.01324374,13.60551527,13.60551527,31.59900002,23.74937501,22.16391042,24.55388542,25.09322045,25.09322045,6.125,2.52,1.487603306,0,0,0,2.34,1.1272,0.333333333,2.746356192,2.828427125,0,3.965406457,4.298279727,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,11,10,10,4,1,0,0,0,62,2.197224577,2.397895273,2.48490665,2.397895273,2.397895273,1.609437912,0.693147181,0,0,0,4.143134726,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,1.5,1.111111111,0.375,0.222222222,0,0,0,0,0,0,0.1875,0.111111111,0.046875,0.111111111,0,0,0,0,0,0,0.456597222,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,0,134.567877,4,3.610917913,4.369447852,5.153291594,5.932245187,6.717804695,7.501634458,8.287276756,9.072341874,9.857914707,76.50287504,2.833213344,0,4.043051268,0,5.476463552,0,7.00033446,0,8.555836815,8.796490207,112.1252005,4.671883355,15.53340973,1.941676217,0,0,0,60,8,4.43,36,1.224166127,2.094734878,2.813258485,3.478295136,4.058328429,4.653242784,0,0,0,0,78.54273178,86.40971975,71.40249227,38.36442902,13.27344884,4.727992477,0,0,0,0,289.3400736,361.0360131,361.1053693,299.1500142,195.1604006,144.6402095,0,0,0,0,8.917064339,14.96667722,19.8350544,24.17091153,27.59504103,31.26264413,0,0,0,0,2.17096299,2.90569308,3.158377613,2.991387022,2.356243506,2.068891791,0,0,0,0,174.752874,319.833565,448.4042663,580.0735826,724.226083,860.46673,0,0,0,0,2.318653618,3.343180647,4.268691588,4.893029907,4.639201405,4.653242784,0,0,0,0,0.449298446,0.609701421,0.672642215,0.651088863,0.529090755,0.476492061,0,0,0,0,309.1777466,127.062216,7.942323499,81.13752077,-33.3449393,-4.228018658,228.0402258,160.4071553,12.17034216,0.792123118,0.325537397,0.020348483,0.207876882,-0.085430784,-0.010832317,120.6767948,49.59432283,3.10001012,31.66921311,-13.0150389,-1.650260233,0.072690831,0.151075692,1.278415714,1.140270424,390.3152674,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,966.0575165,31.0814658,9.885553587,1.427238702,1.212074076,326.335643,224.3218368,175.4436021,1.454765384,1.860060094,1.278597989,3.622823825,3.779648656,5.904977379,0.562308541,5.121077983,6.009330933,10.72828859,10.22126099,16.12818003,11.38979182,12.02822871,8.943262443,5.188149986,0.350713892,0.405380356,4.20E-16,8.41E-53,3.25E-111,2.42E-191,3.47E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.379753701,5.574159459,0.80046825,4.392667528,0.901739768,2.372388959,0.945926777,0.274345839,0.114842554,0.002470107,0.002855127,2.96E-18,5.92E-55,2.29E-113,1.70E-193,2.44E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.257845635,5.603239223,2.601308757,4.903829959,3.186709509,3.988022061,1.986790789,1.199403691,0.581953811,0.025740415,0.029752625,3.09E-17,6.17E-54,2.38E-112,1.77E-192,2.54E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.799079867,5.96155318,10.04069084,9.624380346,14.90485289,10.75815142,10.91773323,8.113818138,4.676463795,0.312479763,0.361186599,3.75E-16,7.49E-53,2.89E-111,2.15E-191,3.09E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.887265995,5.640941991,3.904526282,5.456210726,4.999656519,5.16391398,3.063931669,2.085162435,1.071398274,0.055911622,0.064626676,6.70E-17,1.34E-53,5.17E-112,3.85E-192,5.53E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.349327782,6.210229773,13.36478739,12.70380958,20.98821755,13.81885341,16.63044818,12.35351757,7.311029795,0.51148325,0.591209151,6.13E-16,1.23E-52,4.73E-111,3.52E-191,5.06E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.229683526,5.311696162,6.495073182,6.808552652,8.462378519,8.079323976,6.213556559,4.427633726,2.445582444,0.139896954,0.161702968,1.68E-16,3.36E-53,1.29E-111,9.63E-192,1.38E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.323279384,1.833960952,0.791270871,0.469490577,0.370608629,0.491363593,0.555762583,0.463984781,4.948511208,7.550306856,15.8702679,0.260148809,1.511110957,1.680597231,1.237615103,0.329956144,0.517398418,0.381019369,0.258923928,0.257376036,0.081347785,3.248168479,3.042814606,6.977269599,0.347626679,0.59764775,1.935628075,1.47436982,0.513491525,0.493343518,0.375780246,0.342366011,0.362637805,0.196555342,3.92348942,4.604836635,9.993744402,0.303685647,0.901559158,2.307347823,1.819187927,0.779879762,0.47027159,0.370777388,0.484712876,0.54704283,0.450849731,4.906415513,7.415701024,15.5956613,0.261573466,1.482605437,2.049405783,1.579942331,0.595159645,0.485122978,0.37399442,0.383324215,0.415193531,0.263656435,4.224507759,5.397984485,11.54958522,0.288676097,1.062174182,2.373162602,1.880214149,0.82692484,0.46713026,0.370098923,0.512480101,0.583497544,0.506281598,5.080301591,7.97927679,16.74936159,0.255843775,1.602259242,2.314639418,1.823964767,0.78163811,0.470431999,0.37070629,0.487803541,0.549876275,0.452606143,4.920242295,7.456711499,15.67688978,0.261707433,1.490285958 +UMLS0221,L,"trans-1,2-dimethylcyclohexane",C[C@@H]1CCCC[C@H]1C,23313,Sandia values from independent api report ,Sandia,,C8H16,PubChem,,2.2,0,-0.7622,0.58094884,37.7868,30.93586,0,0,30,10,20,0,10,0,0,0,0,0,0,0,0,0,1462.96249,1684.78297,2179.217388,2152.131251,1593.278239,999.115156,408.844969,82.888848,6.096384,4856.843906,6529.901345,9585.725944,10701.77686,9308.948337,6680.754958,3660.359923,1257.525459,186.5024666,209.77444,217.7578,427.342512,611.112332,628.378684,559.858,371.2033,183.394368,40.310784,36.7812581,50.1598862,78.88975002,93.9014626,86.52708433,66.12766723,39.06308065,15.34920546,2.667677429,4966.296601,4330.394515,9252.955815,14049.49488,14804.94592,13760.1884,9323.322931,4833.801083,1109.505912,45.05555556,55.11111111,93,125,128,107.4166667,68.5,30.5,6,48.76541633,56.15943233,36.3202898,24.73714082,17.70309154,12.33475501,7.57120313,3.069957333,1.016064,161.8947969,217.6633782,159.7620991,123.0089294,103.4327593,82.47845628,67.78444303,46.57501701,31.08374443,6.992481333,7.258593333,7.1223752,7.024279678,6.981985378,6.91182716,6.874135185,6.792384,6.718464,1.226041937,1.671996207,1.314829167,1.079327156,0.961412048,0.816390953,0.723390382,0.568489091,0.444612905,165.54322,144.3464838,154.2159303,161.4884469,164.4993991,169.8788691,172.6541284,179.0296697,184.917652,1.501851852,1.837037037,1.55,1.436781609,1.422222222,1.326131687,1.268518519,1.12962963,1,0.04063883,-0.003335737,-0.010640782,-0.003995146,-0.011956047,6.68E-04,-0.001353617,0.006663365,0.003631031,807.1067267,-5.90E-13,-161.4213453,-161.4213453,-322.8426907,6.86E-13,7.43E-13,161.4213453,80.71067267,1500.849423,5.26E-13,-300.1698846,-300.1698846,-600.3397692,-7.74E-13,-3.20E-13,300.1698846,150.0849423,0.158106667,3.66E-15,-0.031621333,-0.031621333,-0.063242667,-2.57E-15,-2.68E-15,0.031621333,0.015810667,6.709495232,1.85E-14,-1.341899046,-1.341899046,-2.683798093,-1.33E-14,-1.38E-14,1.341899046,0.670949523,36.44608459,-3.02E-13,-7.289216918,-7.289216918,-14.57843384,1.93E-13,2.22E-13,7.289216918,3.644608459,2.651851852,-0.766666667,-0.525925926,0.483703704,-0.796296296,-0.019259259,-0.217777778,0.302222222,0.214074074,0.001354628,-1.11E-04,-1.77E-04,-4.59E-05,-1.33E-04,8.24E-06,-2.51E-05,2.47E-04,6.05E-04,26.90355756,-1.97E-14,-2.690355756,-1.855417762,-3.587141007,8.47E-15,1.38E-14,5.978568346,13.45177878,50.0283141,1.75E-14,-5.00283141,-3.450228558,-6.67044188,-9.56E-15,-5.92E-15,11.11740313,25.01415705,0.005270222,1.22E-16,-5.27E-04,-3.63E-04,-7.03E-04,-3.17E-17,-4.96E-17,0.00117116,0.002635111,0.223649841,6.16E-16,-0.022364984,-0.015424127,-0.029819979,-1.64E-16,-2.55E-16,0.049699965,0.111824921,1.214869486,-1.01E-14,-0.121486949,-0.083784103,-0.161982598,2.39E-15,4.11E-15,0.269970997,0.607434743,0.088395062,-0.025555556,-0.008765432,0.005559813,-0.008847737,-2.38E-04,-0.004032922,0.011193416,0.035679012,-0.082082512,-0.130918905,-0.033899516,-0.098067515,0.00608357,-0.018504697,0.182183854,0.446744056,-7.31E-16,-0.1,-0.068965517,-0.133333333,3.15E-16,5.11E-16,0.222222222,0.5,3.50E-16,-0.1,-0.068965517,-0.133333333,-1.91E-16,-1.18E-16,0.222222222,0.5,2.32E-14,-0.1,-0.068965517,-0.133333333,-6.02E-15,-9.42E-15,0.222222222,0.5,2.76E-15,-0.1,-0.068965517,-0.133333333,-7.35E-16,-1.14E-15,0.222222222,0.5,-8.29E-15,-0.1,-0.068965517,-0.133333333,1.97E-15,3.38E-15,0.222222222,0.5,-0.289106145,-0.099162011,0.062897322,-0.10009311,-0.002689841,-0.045623836,0.126629423,0.403631285,1.534396202,1.249070215,1.020572847,1.083881514,0.87057788,0.832974156,0.450424738,0.004307745,1.45,1.305,1.1,1.0875,0.832407407,0.765277778,0.402777778,0,1.45,1.305,1.1,1.0875,0.832407407,0.765277778,0.402777778,0,1.45,1.305,1.1,1.0875,0.832407407,0.765277778,0.402777778,0,1.45,1.305,1.1,1.0875,0.832407407,0.765277778,0.402777778,0,1.45,1.305,1.1,1.0875,0.832407407,0.765277778,0.402777778,0,1.822625698,1.002444134,0.804818436,1.171205773,0.960066211,0.961941341,0.556913408,0,49.92055373,24.96027687,37.10029833,49.92055373,4.992055373,24.96027687,-3.55E-15,0.054700231,0.005470023,-2.905887347,107.3580669,10.73580669,4.676169667,49.92055373,24.96027687,37.10029833,49.92055373,4.992055373,24.96027687,-3.55E-15,0.054700231,0.005470023,-2.905887347,107.3580669,10.73580669,4.676169667,49.92055373,24.96027687,37.10029833,49.92055373,4.992055373,24.96027687,-3.55E-15,0.054700231,0.005470023,-2.905887347,107.3580669,10.73580669,4.676169667,49.92055373,24.96027687,37.10029833,49.92055373,4.992055373,24.96027687,-3.55E-15,0.054700231,0.005470023,-2.905887347,107.3580669,10.73580669,4.676169667,49.92055373,24.96027687,37.10029833,49.92055373,4.992055373,24.96027687,-3.55E-15,0.054700231,0.005470023,-2.905887347,107.3580669,10.73580669,4.676169667,49.92055373,24.96027687,37.10029833,49.92055373,4.992055373,24.96027687,-3.55E-15,0.054700231,0.005470023,-2.905887347,107.3580669,10.73580669,4.676169667,58.33427294,28.97977142,43.88757157,58.22427294,5.822427294,28.97977142,-0.183333333,0.05006178,0.005006178,-2.99449743,106.0426993,10.60426993,4.663841837,0,11.9,12.10017173,-0.1511535,0.0490384,5.619713602,9.38313147,10,30,30,30,10,0,0,0,0,0,21.86414,3.675782856,3.290154022,2.77951548,2.750129472,2.530004352,1.836844638,1.456797487,1.414748326,2.019046791,1.766050089,1.450151557,1.372874417,1.256881554,0.88450462,0.666206401,0.610255,3.698586585,3.322304043,2.825567761,2.792995694,2.584106562,1.920267437,1.556142907,1.511736114,1.967959892,1.697034937,1.356335904,1.285229005,1.160772364,0.755485268,0.522081792,0.466308144,3.799302148,3.463974814,3.02894669,2.981537655,2.81398683,2.265820215,1.9628467,1.911255966,1.819514698,1.492252159,1.069350581,1.018928274,0.858097279,0.330262187,0.037619229,0.014886752,3.715406551,3.346016143,2.859605698,2.824624264,2.623581754,1.980686444,1.62787375,1.581915955,1.935600271,1.652901182,1.295508893,1.228596505,1.097869995,0.669519531,0.425347018,0.36988335,3.848684125,3.532921435,3.127206552,3.072480534,2.920504722,2.420356431,2.141548494,2.087963556,1.773703616,1.428067448,0.977485401,0.933903671,0.757113949,0.181813766,0.135164289,0.185372064,3.705051459,3.41382319,3.018439281,2.858333323,2.726870707,2.137039501,1.752482097,1.696251206,1.928597125,1.570356626,1.156737416,1.141444113,0.949076562,0.484922544,0.262588642,0.213864754,0,0,0,0,0,2,6,2,0,0,0,0,0.102062073,0.058925565,0,0,0,0.102062073,0.058925565,0.402368927,0,0.11785113,0,0.402368927,0,0.11785113,0,1.089255651,1.339255651,1.373773448,1.089255651,1.339255651,1.373773448,7.397341225,4.842535255,3.783622271,3.098518319,2.036535719,1.41711029,0.569035594,0.319035594,0.739734123,0.484253526,0.315301856,0.221322737,0.145466837,0.101222164,0.071129449,0.053172599,7.397341225,4.842535255,3.783622271,3.098518319,2.036535719,1.41711029,0.569035594,0.319035594,0.739734123,0.484253526,0.315301856,0.221322737,0.145466837,0.101222164,0.071129449,0.053172599,15.41827804,28.87836854,27.25490196,27.6,17.98554491,230.2825509,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.6128,46.03,41.88157561,60.63834098,83.76315123,8.376315123,41.88157561,0.23147766,0.023147766,-1.463271913,38.30092131,3.830092131,3.645473951,90,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,2,0,6,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,4.731407785,0,8.880582955,0,0,0,2.054675926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.3187226,0,1.37962963,0,0,0,0.986388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.412685185,0,1.508935185,0,0,0,1.068287037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.66666667,1.566666667,0.2,2.412685185,0.2,0.986388889,7.197646416,0.346944444,0.412685185,1.498556311,0.346944444,0.412685185,1.498556311,5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.2,0.2,0,5,0.5,5,0.5,0,0,-5,-0.5,0,0,11.56742,1.15674,11.56742,0,0,4.84252,0.48425,4.84252,0,0,0.07148,0.00715,0.15748,0.01575,0.2,10,0,0,0,0,0,0,1,0.918295834,1.375279366,2.555913095,3.231401845,3.20151528,3.00291008,27.54887502,41.25838097,76.67739286,96.94205536,96.04545841,90.08730239,0.187144143,0.280275123,0.52088243,0.658543691,0.652452957,0.611978201,3.988594762,3.53161123,2.3509775,1.67548875,1.705375315,1.903980516,0.187144143,0.280275123,0.52088243,0.658543691,0.652452957,0.611978201,6.73287657,12.21667895,16.8909882,18.02797915,17.26504706,15.28607796,39.49875002,30.76840725,26.00556217,23.1132877,24.19101549,28.11547299,8.1,4,2.285714286,4,0,4,2.56,1.409,0.333333333,3.422158352,2.149139864,0,6.945629182,6.085553735,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,4.664,12,14,14,14,8,6,2,0,0,90,2.397895273,2.564949357,2.708050201,2.708050201,2.708050201,2.197224577,1.945910149,1.098612289,0,0,4.510859507,1,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,1,3,6,1,1.5,1.111111111,0.4375,0.191111111,0.152777778,0.04,0,0,0,0,0.15,0.092592593,0.039772727,0.027301587,0.038194444,0.04,0,0,0,0,0.387861352,24.96027687,37.10029833,49.92055373,4.992055373,24.96027687,0.054700231,0.005470023,-2.905887347,107.3580669,10.73580669,4.676169667,0,169.1598463,4.321928095,3.80666249,4.574710979,5.361292166,6.150602768,6.944087208,7.737616283,8.532475815,9.326967184,10.12202049,82.55643538,3.044522438,0,4.234106505,0,5.65248918,0,7.158513997,0,8.703008637,8.947285869,140.1565006,4.671883355,19.52724104,1.952724104,0,0,0,121,11,5.568,44,1.229266235,2.107949862,2.836330888,3.537297212,4.138715799,5.041096494,5.889578264,7.033430929,0,0,79.27849437,85.32486944,76.13102954,69.87134368,58.79428274,41.83772156,19.23381956,7.146415963,0,0,291.5000555,360.5345813,368.4690493,385.2604842,370.7977458,358.3113208,283.0040827,218.6253695,0,0,8.955521785,15.06236452,19.97774228,24.73597706,28.70235034,34.71548505,40.04577621,47.25385249,0,0,2.185186681,2.912779309,3.188507995,3.515112684,3.580828145,3.766664447,3.417705679,3.127154156,0,0,175.3995389,321.6485948,453.9607136,579.1844578,695.7224671,865.5216921,1051.10371,1300.605533,0,0,2.30785528,3.347865806,4.162747003,5.105918633,5.67286849,6.516800371,6.731830318,7.033430929,0,0,0.452167257,0.611540702,0.678165153,0.754548704,0.776416041,0.827548519,0.76747342,0.720223327,0,0,372.2034621,192.0953332,9.4908368,88.65374846,-45.75446789,-4.796608445,283.5497137,237.8498011,14.28744524,0.807632936,0.416821803,0.020593877,0.192367064,-0.099281224,-0.010408014,171.5326493,88.52851945,4.373920574,40.85671923,-21.08627644,-2.210551588,0.058360193,0.125807541,0.618411518,1.091987796,460.8572106,0,1,0,682.8851744,26.13207176,8.806078679,876.625896,29.60786882,9.57057649,1235.490862,35.14954995,10.73033249,1.610599344,1.610599344,627.0753754,598.8775854,209.8289787,1.047084397,2.988507018,2.854122386,4.384302263,4.433660147,7.285318514,0.643183797,5.578631074,8.804831222,8.974288042,21.13899883,18.88195943,16.39526777,15.52852957,14.83501173,11.32943303,9.129918947,7.38293459,2.398904235,3.240636014,0.009974898,6.57E-23,8.36E-65,2.05E-128,9.70E-214,8.85E-321,0,0,0,0,0,0,0,0,0,0,0,0.468743771,7.477437895,0.659685823,7.891974928,1.379892581,2.077205848,1.879322432,2.49640883,0.759891442,0.467817924,0.662249938,0.14315612,0.022825347,7.03E-05,4.63E-25,5.88E-67,1.44E-130,6.83E-216,6.4E-323,0,0,0,0,0,0,0,0,0,0,0,1.511780701,7.566137875,2.166721907,9.385803473,3.730158039,4.14461225,3.271215341,4.406391158,2.239199109,1.70632321,1.375889114,0.50045349,0.237847643,7.32E-04,4.82E-24,6.13E-66,1.50E-129,7.12E-215,6.47E-322,0,0,0,0,0,0,0,0,0,0,0,5.265807432,8.65909539,8.398004754,19.89990695,17.37809343,15.21617944,14.19971266,13.86435247,10.44246234,8.412271368,6.738651206,2.224318284,2.887349228,0.008887455,5.85E-23,7.44E-65,1.83E-128,8.64E-214,7.885E-321,0,0,0,0,0,0,0,0,0,0,0,2.227792857,7.68114122,3.257714847,10.77059489,5.706461685,5.817753054,4.640673402,5.898236991,3.456057517,2.713771681,2.061212006,0.77635398,0.516633708,0.001590221,1.05E-23,1.33E-65,3.27E-129,1.55E-214,1.413E-321,0,0,0,0,0,0,0,0,0,0,0,6.736876218,9.41763053,11.18438491,26.21289484,24.94105831,21.10442036,21.00855723,18.67338173,14.88588714,11.99977808,10.03280725,3.086749842,4.726158883,0.014547452,9.58E-23,1.22E-64,2.99E-128,1.41E-213,1.2905E-320,0,0,0,0,0,0,0,0,0,0,0,3.712477098,7.465912606,5.086548587,14.13008891,10.0343726,9.633245049,8.090765338,9.135387837,6.517349071,5.003135252,3.949216837,1.469040943,1.320320246,0.004064015,2.68E-23,3.40E-65,8.35E-129,3.95E-214,3.607E-321,0,0,0,0,0,0,0,0,0,0,0,4.417114647,1.40554636,1.173835168,0.631332389,0.200892893,0.542769682,0.566214515,0.471856819,6.996496175,13.04330368,27.32750785,0.446998584,1.580841016,3.639196386,0.849884715,0.647876195,0.70843423,0.165445159,0.368502143,0.210422309,0.142490985,5.136957295,6.001266163,13.14203805,0.562651345,0.721415436,3.948142912,1.070017985,0.857344882,0.671966476,0.182115043,0.433684651,0.331602296,0.251062743,5.87550578,8.526878488,18.02430967,0.507949714,1.01634969,4.397853915,1.391737777,1.160867539,0.632742927,0.200236809,0.538048779,0.555392403,0.461496954,6.950459232,12.84160849,26.89734258,0.44911439,1.554938136,4.085860729,1.168390667,0.950455842,0.658509833,0.188307139,0.464450445,0.394216792,0.309016318,6.204707238,9.767815475,20.50988631,0.48776475,1.167683554,4.477415357,1.448791922,1.214418275,0.627034049,0.202894258,0.557683056,0.600747985,0.504992593,7.140625554,13.68373762,28.7021041,0.440551074,1.663423634,4.412119375,1.396242131,1.164401876,0.632764821,0.200242293,0.541523057,0.557642491,0.464279557,6.972763382,12.92365399,27.0695835,0.449147232,1.563445106 +UMLS0222,L,sec-butylcyclohexane,CCC(C)C1CCCCC1,23468,,UML,[1],C10H20,PubChem,,-4.2,0,1.8283,3.34268089,38.0604,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1410.479624,1371.115039,985.820644,555.141218,166.6224,18.289152,0,3885.475125,4800.404174,6118.039963,6602.817631,6018.397964,4146.044314,2029.598029,559.5073998,0,167.819552,166.665724,296.735264,326.37958,399.014032,392.180744,226.499328,120.932352,0,29.42500648,37.33900896,50.80666687,56.26121404,56.12588892,42.74120646,22.69940272,8.003032287,0,3973.037281,3337.521256,6665.652931,7177.290897,9290.369644,9819.952592,5720.741265,3328.517736,0,42.05555556,50.52777778,71.83333333,83.5,92.16666667,78,45,18,0,48.76541633,52.3287937,33.58284819,29.80684867,17.29509902,9.739319614,5.049163636,1.016064,0,161.8947969,208.713225,145.6676182,143.5395137,105.5859292,72.73761954,61.50297059,31.08374443,0,6.992481333,7.246335826,7.065125333,7.095208261,7.000246175,6.88036393,6.863616,6.718464,0,1.226041937,1.623435172,1.209682544,1.22306987,0.984664718,0.749845727,0.687860689,0.444612905,0,165.54322,145.1096198,158.7060222,156.028063,162.9889411,172.27987,173.3557959,184.917652,0,1.752314815,2.196859903,1.71031746,1.815217391,1.616959064,1.368421053,1.363636364,1,0,0.036750756,0.003004992,-0.003733191,-0.021284503,-0.012326039,0.006927775,-0.002315935,0.011351523,0,645.6853813,-53.80711511,80.71067267,-269.0355756,-363.198027,80.71067267,-40.35533633,242.132018,0,1200.679538,-100.0566282,150.0849423,-500.283141,-675.3822403,150.0849423,-75.04247115,450.2548269,0,0.126485333,-0.010540444,0.015810667,-0.052702222,-0.071148,0.015810667,-0.007905333,0.047432,0,5.367596186,-0.447299682,0.670949523,-2.236498411,-3.019272855,0.670949523,-0.335474762,2.01284857,0,29.15686767,-2.429738973,3.644608459,-12.14869486,-16.40073807,3.644608459,-1.822304229,10.93382538,0,3.717592593,-1.203896605,0.950231481,-1.005015432,-1.940393519,0.955439815,-0.868634259,1.253472222,0,0.001531282,1.31E-04,-8.89E-05,-4.63E-04,-2.16E-04,1.22E-04,-7.02E-05,6.31E-04,0,26.90355756,-2.339439787,1.921682683,-5.848599469,-6.371895211,1.415976713,-1.22288898,13.45177878,0,50.0283141,-4.350288182,3.573451007,-10.87572046,-11.84881123,2.633069163,-2.274014277,25.01415705,0,0.005270222,-4.58E-04,3.76E-04,-0.0011457,-0.001248211,2.77E-04,-2.40E-04,0.002635111,0,0.223649841,-0.019447812,0.015974989,-0.048619531,-0.052969699,0.011771044,-0.010165902,0.111824921,0,1.214869486,-0.105640825,0.086776392,-0.264102062,-0.287732247,0.063940499,-0.05522134,0.607434743,0,0.154899691,-0.052343331,0.022624559,-0.021848162,-0.034041992,0.016762102,-0.02632225,0.069637346,0,0.085321883,-0.058046472,-0.30216951,-0.141219163,0.079371367,-0.045830795,0.411838146,0,-0.086956522,0.071428571,-0.217391304,-0.236842105,0.052631579,-0.045454545,0.5,0,-0.086956522,0.071428571,-0.217391304,-0.236842105,0.052631579,-0.045454545,0.5,0,-0.086956522,0.071428571,-0.217391304,-0.236842105,0.052631579,-0.045454545,0.5,0,-0.086956522,0.071428571,-0.217391304,-0.236842105,0.052631579,-0.045454545,0.5,0,-0.086956522,0.071428571,-0.217391304,-0.236842105,0.052631579,-0.045454545,0.5,0,-0.337917592,0.14605942,-0.14104716,-0.219767975,0.108212624,-0.169930941,0.449564134,0,1.286592788,1.333288796,1.485809652,1.009277162,0.700873637,0.741604198,0.006192132,0,1.5,1.026785714,1.359375,1.210526316,0.71875,0.784090909,0,0,1.5,1.026785714,1.359375,1.210526316,0.71875,0.784090909,0,0,1.5,1.026785714,1.359375,1.210526316,0.71875,0.784090909,0,0,1.5,1.026785714,1.359375,1.210526316,0.71875,0.784090909,0,0,1.5,1.026785714,1.359375,1.210526316,0.71875,0.784090909,0,0,1.830635118,0.701743462,1.221668742,1.252736449,0.696467195,1.124872637,0,0,32.71500462,16.35750231,24.32033932,32.71500462,4.089375577,16.35750255,7.11E-15,0.201008084,0.025126011,-1.283528122,27.88061685,3.485077107,2.662345369,32.71500462,16.35750231,24.32033932,32.71500462,4.089375577,16.35750255,7.11E-15,0.201008084,0.025126011,-1.283528122,27.88061685,3.485077107,2.662345369,32.71500462,16.35750231,24.32033932,32.71500462,4.089375577,16.35750255,7.11E-15,0.201008084,0.025126011,-1.283528122,27.88061685,3.485077107,2.662345369,32.71500462,16.35750231,24.32033932,32.71500462,4.089375577,16.35750255,7.11E-15,0.201008084,0.025126011,-1.283528122,27.88061685,3.485077107,2.662345369,32.71500462,16.35750231,24.32033932,32.71500462,4.089375577,16.35750255,7.11E-15,0.201008084,0.025126011,-1.283528122,27.88061685,3.485077107,2.662345369,32.71500462,16.35750231,24.32033932,32.71500462,4.089375577,16.35750255,7.11E-15,0.201008084,0.025126011,-1.283528122,27.88061685,3.485077107,2.662345369,38.19431594,19.03604686,29.26374565,38.10264927,4.762831159,19.03604687,-0.122222222,0.274627782,0.034328473,-1.033870894,27.14561644,3.393202055,2.640972461,0,11.89,12.11011416,-0.171487844,0.051085873,5.330870081,8.640630697,7,23,22,22,6,1,1,0,0,1,17.491312,3.622196597,3.124173529,2.666132122,2.333552793,2.230952672,1.550939358,1.204137948,0.083923071,1.921634214,1.668651626,1.405079439,1.249629723,1.133071315,0.666944597,0.183535682,0.083923071,3.639642161,3.16183671,2.71956585,2.405454588,2.300692898,1.634908331,1.301635664,0.270913902,1.87241705,1.591625864,1.305791814,1.134540686,1.018637485,0.525754363,0.089485528,0.270913902,3.720999143,3.326517984,2.950192786,2.704236987,2.592965485,1.994244749,1.668493896,0.943918427,1.738169426,1.35909127,0.995021767,0.76031856,0.648186101,0.063162405,0.269809062,0.943918427,3.65273994,3.18955506,2.758769068,2.457539916,2.351373029,1.696384808,1.370162778,0.399277246,1.841991703,1.542018636,1.240893336,1.058262671,0.942901686,0.431674001,0.023119094,0.399277246,3.7634349,3.405747053,3.058698678,2.838982085,2.725793947,2.160263363,1.813070198,1.207644823,1.699655176,1.285003762,0.892640763,0.631337262,0.521335811,0.094788211,0.415063276,1.207644823,3.64327114,3.209316422,2.863878515,2.591598066,2.415221136,1.749718572,1.421603732,0.558139535,1.84422648,1.492898009,1.121756536,0.917179462,0.853313016,0.346861521,0.03046465,0.558139535,0,0,0,0,2,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.426776695,0,0.176776695,0,1.207106781,0.666666667,0.666666667,0.905330086,0.5,0.5,6.568914101,3.680739213,3.009975955,1.882088123,0.788675135,0.333333333,0,0,0.821114263,0.525819888,0.376246994,0.268869732,0.197168784,0.166666667,0,0,6.414213562,3.310660172,2.530330086,1.478553391,0.625,0.25,0,0,0.801776695,0.472951453,0.316291261,0.211221913,0.15625,0.125,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,54,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,4,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.027175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.759305556,1.161111111,0,0,0,0,0,0,0,0,0,0,8.765138889,0,2.541018519,0,0,0,0,0,0,3.027175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.478564815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.225625,0.290277778,0,0,0,0,0,0,0,0,0,0,2.17162037,0,1.266203704,0,0,0,0,0,0,1.478564815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.548611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290277778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.214722222,0,1.274814815,0,0,0,0,0,0,1.548611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,1.791666667,0.290277778,2.214722222,0.026041667,1.266203704,4.58447912,0.233796296,0.214722222,1.530277778,0.233796296,0.214722222,1.530277778,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.5,0.25,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,8.00274,1.00034,9.01229,1.00955,0.12619,3.06498,0.38312,3.68073,0.61575,0.07697,0.23327,0.02916,0.23327,0.02916,0,7,0,0,0,0,0,0,0.75,0.918295834,1.636842188,2.833333333,2.948120313,3.29248125,2.910401042,22.03910002,39.28421252,68,70.7548875,79.01955001,69.84962501,0.200284263,0.357002307,0.617962161,0.642997693,0.718104292,0.634770959,3.666666667,2.948120313,1.751629167,1.636842188,1.29248125,1.674561459,0.200284263,0.357002307,0.617962161,0.642997693,0.718104292,0.634770959,6.73287657,15.35543282,17.47730113,18.85474488,19.20180045,14.61683795,31.59900002,20.01328438,19.57694219,17.55814531,16.90739375,14.6149125,8,3.9375,3.673469388,8,2,6,2.34,1.1928,1.72030651,3.150627212,4.521745165,0,1,2.149139864,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.099,0.064,0.179,0.192,3.66,8,7,4,2,0,0,0,0,0,36,2.197224577,2.564949357,2.564949357,2.079441542,1.609437912,0,0,0,0,0,3.951243719,1.416666667,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,3,5,0.666666667,2,1.111111111,0.375,0.16,0,0,0,0,0,0,0.285714286,0.138888889,0.053571429,0.04,0,0,0,0,0,0,0.518174603,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,0,144.287877,4,3.433987204,4.110873864,4.844187086,5.556828062,6.289715571,7.01301579,7.744569809,8.471568013,9.202207389,71.66695279,2.708050201,0,3.850147602,0,5.176149733,0,6.577861358,0,8.011355109,8.288283045,112.1252005,4.671883355,14.49604135,1.812005168,0,0,0,70,7,3.467,30,1.216880526,2.099221099,3.016942601,3.77094627,4.547247766,5.04983865,5.924816652,0,0,0,74.98105143,83.09384631,102.2254918,72.09492555,47.64949028,27.57649124,6.019992907,0,0,0,280.3885003,341.6193261,466.3493974,424.9726024,340.642127,326.2609378,184.1654866,0,0,0,8.854093482,14.91188095,21.47391942,26.48725319,31.3102652,34.73497801,39.80566739,0,0,0,2.118816907,2.757638659,3.887588408,3.898633905,3.470934858,3.598977714,2.634249943,0,0,0,174.329266,327.3699784,465.9405015,607.7453564,781.6892074,869.458757,1095.603184,0,0,0,2.764452346,3.785090335,5.659300443,6.312607347,6.317365176,7.073595156,5.924816652,0,0,0,0.43907366,0.579472001,0.820625943,0.836557921,0.759706847,0.795572373,0.606701225,0,0,0,341.2104725,147.0656186,9.044872947,60.57010271,-26.10640746,-3.548964063,280.6403698,173.1720261,12.59383701,0.849245816,0.366034666,0.022511972,0.150754184,-0.064976779,-0.00883309,137.0917399,59.08810884,3.634054255,24.33589071,-10.4890474,-1.425904823,0.071898463,0.178002302,1.275614104,0.772514665,401.7805752,0,1,0,451.4398665,21.24711431,7.671258831,611.8900136,24.73641069,8.48967611,758.8013317,27.54634879,9.121005021,1.385213481,1.340366004,569.278446,416.9994533,171.6199338,1.365177919,3.317088135,2.42978449,4.391433139,4.61482548,7.127625151,0.544505894,6.629606095,5.857911765,4.085203312,13.57580524,14.75130362,8.229551377,8.86045148,13.73871113,21.47950784,2.76134072,3.805893235,5.880961255,3.099330377,1.26E-06,9.16E-34,1.61E-82,5.57E-153,3.73E-245,0,0,0,0,0,0,0,0,0,0,0,0,0.556379092,5.827919885,0.25829782,5.429891212,2.845274841,0.420944354,3.630624941,2.482482186,1.015218547,0.041112969,0.933639776,0.463419789,0.021828838,8.89E-09,6.45E-36,1.13E-84,3.92E-155,2.63E-247,0,0,0,0,0,0,0,0,0,0,0,0,1.7960542,5.829924145,0.889525946,6.284218913,4.230984687,1.499614128,4.623110463,4.113370384,3.56780631,0.258323541,1.258098838,1.515828122,0.227473316,9.27E-08,6.72E-35,1.18E-83,4.09E-154,2.74E-246,0,0,0,0,0,0,0,0,0,0,0,0,6.25780749,5.85461897,3.797884447,12.79112352,13.65289277,7.569241543,8.513740855,12.81373947,19.65196552,2.475220883,3.537429473,5.530402412,2.761447567,1.13E-06,8.16E-34,1.43E-82,4.96E-153,3.33E-245,0,0,0,0,0,0,0,0,0,0,0,0,2.647052298,5.832522644,1.367360063,7.110726813,5.492383865,2.393070572,5.32669968,5.430895317,5.802458115,0.507804616,1.558572293,2.254137144,0.494102437,2.01E-07,1.46E-34,2.56E-83,8.88E-154,5.95E-246,0,0,0,0,0,0,0,0,0,0,0,0,8.006208983,5.871757492,5.209236927,16.80585396,19.23780078,10.88133822,10.17430403,17.43128139,28.89864082,3.956498524,4.905064102,7.200383344,4.520082073,1.84E-06,1.34E-33,2.34E-82,8.12E-153,5.44E-245,0,0,0,0,0,0,0,0,0,0,0,0,3.886387181,5.379542366,1.935056197,8.419328438,7.147959084,3.710626708,6.337072702,7.40123334,9.084997346,0.947990439,2.291114255,3.54198942,0.965502597,3.93E-07,2.85E-34,5.00E-83,1.73E-153,1.16E-245,0,0,0,0,0,0,0,0,0,0,0,0,4.778992438,2.237088207,0.399807761,0.644426153,0.301661525,0.512486878,0.489585391,0.499826857,7.415888406,13.49611112,25.18635535,0.46663923,1.501899126,3.63608646,1.446124879,0.086192249,0.703522161,0.279801075,0.296595889,0.202925796,0.023230233,5.168403588,5.696282318,11.31790501,0.555283241,0.522751919,4.089757844,1.760523612,0.210750151,0.674762666,0.290466001,0.37521426,0.301846888,0.13888423,6.061031607,8.433062953,16.01151994,0.512143998,0.815945377,4.750673772,2.217529717,0.392043525,0.645450317,0.301284687,0.506422274,0.480982564,0.480602159,7.360247014,13.26659933,24.75693089,0.468175476,1.468006997,4.292092348,1.900549573,0.266270735,0.664522432,0.294252249,0.413279874,0.352278115,0.221699146,6.458912655,9.806253591,18.43722564,0.496783649,0.987257135,4.8676572,2.298314035,0.424115513,0.64131773,0.302804712,0.531710445,0.517013027,0.562451997,7.590086748,14.22660443,26.56144312,0.461976594,1.611175468,4.759867599,2.221643547,0.392165561,0.645521602,0.301293864,0.508389573,0.482815947,0.480901411,7.373676706,13.31263737,24.83335866,0.468282403,1.47210693 +UMLS0223,L,"2,3-Dimethyl-2-Hexene",CCCC(=C(C)C)C,23528,,"Sandia, UML",[1],C8H16,PubChem,,13.8,0,1.439,2.070721,46.0754,32.269446,0,0,32,10,22,0,10,0,0,0,0,0,0,0,0,0,1464.994618,1564.733025,2112.671244,2091.515002,1743.724424,1229.144957,526.953337,112.269024,9.144576,4919.011395,6335.857676,9083.808712,10792.06421,10177.23602,7938.511919,4972.743171,1900.685731,279.7536999,223.211368,224.452548,424.947504,573.17284,749.73392,623.940404,495.728164,304.725888,60.466176,37.67048391,49.59807482,74.87616159,94.24094931,96.20547231,77.15599031,53.08649559,24.02116915,4.001516144,5336.131905,4509.845254,9443.726441,12743.75143,18107.13546,15143.75824,12365.68473,8130.523715,1664.258868,52.09027778,61.75,95.16666667,134.7083333,155.8333333,130.25,100,51,9,45.78108181,50.47525887,35.2111874,25.82117286,16.14559652,13.65716619,7.318796347,2.4948672,1.016064,153.7191061,204.3825057,151.3968119,133.2353607,94.23366687,88.20568799,69.06587737,42.23746069,31.08374443,6.97535525,7.240404774,7.0824584,7.076207901,6.941980741,6.932671156,6.885113389,6.7716864,6.718464,1.177202622,1.599937897,1.247936026,1.16346851,0.89079141,0.857288781,0.737312439,0.533803759,0.444612905,166.754122,145.4788792,157.3954407,157.3302646,167.6586617,168.2639804,171.7456212,180.6783048,184.917652,1.627821181,1.991935484,1.586111111,1.663065844,1.442901235,1.447222222,1.388888889,1.133333333,1,0.04338746,-0.009756273,0.007490395,-0.025600236,0.00299205,-0.004328236,-0.010178748,0.01293045,0.004756868,832.3288119,-57.22260582,119.1743526,-555.6740647,-24.59153308,-146.6033703,-162.6824496,305.029593,106.405672,1547.750967,-106.407879,221.6097976,-1033.299652,-45.72900585,-272.6152272,-302.5149618,567.2155534,197.8658907,0.1630475,-0.011209516,0.023345438,-0.108852734,-0.004817313,-0.028718594,-0.031868375,0.059753203,0.020844141,6.919166958,-0.475692728,0.990698905,-4.619330214,-0.204429933,-1.218716907,-1.352382633,2.535717436,0.884552594,37.58502473,-2.58397045,5.381492178,-25.09227503,-1.11046664,-6.620089584,-7.346163925,13.77405736,4.80490373,4.355685764,-2.336107042,1.465901693,-1.558532715,-0.00382487,0.385701497,-1.448730469,0.87677002,0.440979004,0.001355858,-3.15E-04,1.25E-04,-3.16E-04,2.77E-05,-4.81E-05,-1.41E-04,2.87E-04,5.29E-04,26.01027537,-1.84589051,1.98623921,-6.860173639,-0.22769938,-1.628926336,-2.259478467,6.7784354,11.82285244,48.36721773,-3.432512226,3.693496627,-12.75678582,-0.423416721,-3.02905808,-4.201596692,12.60479008,21.98509897,0.005095234,-3.62E-04,3.89E-04,-0.001343861,-4.46E-05,-3.19E-04,-4.43E-04,0.001327849,0.002316016,0.216223967,-0.015344927,0.016511648,-0.057028768,-0.00189287,-0.013541299,-0.018783092,0.056349276,0.098283622,1.174532023,-0.083353885,0.089691536,-0.309781173,-0.010282099,-0.073556551,-0.102030055,0.306090164,0.533878192,0.13611518,-0.075358292,0.024431695,-0.019241145,-3.54E-05,0.004285572,-0.020121257,0.019483778,0.048997667,-0.232117568,0.092074474,-0.233101305,0.020432939,-0.035469431,-0.104267173,0.211927293,0.389820166,-0.070967742,0.076363636,-0.263748597,-0.008754209,-0.062626263,-0.086868687,0.260606061,0.454545455,-0.070967742,0.076363636,-0.263748597,-0.008754209,-0.062626263,-0.086868687,0.260606061,0.454545455,-0.070967742,0.076363636,-0.263748597,-0.008754209,-0.062626263,-0.086868687,0.260606061,0.454545455,-0.070967742,0.076363636,-0.263748597,-0.008754209,-0.062626263,-0.086868687,0.260606061,0.454545455,-0.070967742,0.076363636,-0.263748597,-0.008754209,-0.062626263,-0.086868687,0.260606061,0.454545455,-0.553636204,0.179492801,-0.141359286,-2.60E-04,0.031484895,-0.14782522,0.143141846,0.359972099,1.764162459,0.952365192,1.377108227,0.908184456,0.957163612,0.996844996,0.369373323,2.51E-08,1.6,1.127272727,1.447362514,0.918518519,0.951919192,0.876767677,0.300606061,0,1.6,1.127272727,1.447362514,0.918518519,0.951919192,0.876767677,0.300606061,0,1.6,1.127272727,1.447362514,0.918518519,0.951919192,0.876767677,0.300606061,0,1.6,1.127272727,1.447362514,0.918518519,0.951919192,0.876767677,0.300606061,0,1.6,1.127272727,1.447362514,0.918518519,0.951919192,0.876767677,0.300606061,0,2.165113846,0.647461512,1.235613572,0.945930834,0.92012024,1.161476758,0.474475612,0,52.27509973,26.13754986,38.45794636,52.27509973,5.227509973,26.13754986,-7.11E-15,0.077277354,0.007727735,-2.560354325,66.09421116,6.609421116,4.191081166,52.27509973,26.13754986,38.45794636,52.27509973,5.227509973,26.13754986,-7.11E-15,0.077277354,0.007727735,-2.560354325,66.09421116,6.609421116,4.191081166,52.27509973,26.13754986,38.45794636,52.27509973,5.227509973,26.13754986,-7.11E-15,0.077277354,0.007727735,-2.560354325,66.09421116,6.609421116,4.191081166,52.27509973,26.13754986,38.45794636,52.27509973,5.227509973,26.13754986,-7.11E-15,0.077277354,0.007727735,-2.560354325,66.09421116,6.609421116,4.191081166,52.27509973,26.13754986,38.45794636,52.27509973,5.227509973,26.13754986,-7.11E-15,0.077277354,0.007727735,-2.560354325,66.09421116,6.609421116,4.191081166,52.27509973,26.13754986,38.45794636,52.27509973,5.227509973,26.13754986,-7.11E-15,0.077277354,0.007727735,-2.560354325,66.09421116,6.609421116,4.191081166,70.6179413,35.14126232,53.12056451,70.34960797,7.034960797,35.14126232,-0.335416667,0.065912402,0.00659124,-2.719428664,49.3764527,4.93764527,3.899473645,0,11.89,12.11015511,-0.167977474,0.052636263,5.559256875,9.685442284,9,31,31,31,9,0,0,0,0,0,24.050554,3.631303663,3.293474355,2.797066796,2.689164194,2.333552793,2.210821848,1.764254176,1.661441681,1.976249117,1.769289644,1.49338183,1.432322446,1.249629723,1.111252981,0.848893008,0.797642817,3.653531,3.3252718,2.847637934,2.743856529,2.405454588,2.28021436,1.851773024,1.754485244,1.92374206,1.699841816,1.399573079,1.333538944,1.134540686,0.996851104,0.716742518,0.661010472,3.753024995,3.466172758,3.064889637,2.977675964,2.704236987,2.571580149,2.211931469,2.13477535,1.773234449,1.494423178,1.107032719,1.022786582,0.76031856,0.626704931,0.278705959,0.204817552,3.669999445,3.348770346,2.884663781,2.783843727,2.457539916,2.330678288,1.915015888,1.821570824,1.890651576,1.655475239,1.338368331,1.268867505,1.058262671,0.921145694,0.628512425,0.569549131,3.802529856,3.535112638,3.166894928,3.086716031,2.838982085,2.704206754,2.371874797,2.302312663,1.727541706,1.430353956,1.010768104,0.919620095,0.631337262,0.500104804,0.12470846,0.043067867,3.627644116,3.367557871,2.996451771,2.914812091,2.634654398,2.419707023,2.005691327,1.906695169,1.921022053,1.620649342,1.216571837,1.126346287,0.878556837,0.804612839,0.507202504,0.450856426,0,0,0,0,0,5,3,1,1,0,0,0,0,0,0,0,0,0,0,1.495781916,0.25,0,0,1.495781916,0.25,0,0,1.779365372,2.059348469,1.928921625,1.779365372,2.059348469,1.928921625,8.198670613,4.515167194,4.235311104,2.555077777,1.2319982,0.637136847,0.102062073,0,0.819867061,0.501685244,0.352942592,0.255507778,0.153999775,0.127427369,0.102062073,0,8.198670613,4.515167194,4.235311104,2.555077777,1.2319982,0.637136847,0.102062073,0,0.819867061,0.501685244,0.352942592,0.255507778,0.153999775,0.127427369,0.102062073,0,15.96010584,30.76620539,28.98039216,29.36,18.7840994,246.5681114,0.498753308,0.961443918,0.905637255,0.9175,0.587003106,7.705253481,3.8588,48.144,26.13754986,38.45794636,52.27509973,5.227509973,26.13754986,0.077277354,0.007727735,-2.560354325,66.09421116,6.609421116,4.191081166,81,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,5,0,3,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,11.61956019,0,4.000763889,0,0,0,0.898101852,0,0,0,0,0,0.564907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.274212963,0,1.302916667,0,0,0,0.898101852,0,0,0,0,0,0.564907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.360277778,0,1.375,0,0,0,0.898101852,0,0,0,0,0,0.564907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.08333333,1.708333333,0.2,2.360277778,0,0.564907407,7.468113796,0.685092593,0.360277778,3.23912037,0.685092593,0.360277778,3.23912037,5,0.5,0,0,0.425,0.7,0.425,0.425,0.7,0,0,0,0,0.71429,0,0,0.5,0.1,0.1,4.5,0.45,4.5,0.45,0,0,-4.5,-0.45,0,0,13.07057,1.30706,13.07057,0,0,4.51516,0.45152,4.51516,0,0,0.39884,0.03988,0.39884,0.03988,0,9,0,0,0,0,0,0,1,0.896038233,1.422749263,2.558964564,3.569548828,3.694548828,3.350798828,28.67322344,45.52797641,81.88686606,114.2255625,118.2255625,107.2255625,0.179207647,0.284549853,0.511792913,0.713909766,0.738909766,0.670159766,4.103961767,3.577250737,2.441035436,1.430451172,1.305451172,1.649201172,0.180864499,0.287180639,0.51652466,0.72051017,0.745741306,0.676355683,6.667318507,12.98785087,18.38024006,19.39873218,18.83769937,15.82741326,39.63994499,28.3674346,22.18409269,19.67556367,20.00460508,21.27575156,10,4,4.48,10,0,7,2.56,1.5176,2.623267021,6.004199232,2.125707501,2.648059603,1.190550789,2.080083823,2.080083823,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.131,0.009,0.004,4.124,12,10,8,5,1,0,0,0,0,55,2.302585093,2.564949357,2.397895273,2.197224577,1.791759469,0.693147181,0,0,0,0,4.025351691,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.444444444,9,1,1,3,6,1,4,1.333333333,0.75,0.32,0.055555556,0,0,0,0,0,0.444444444,0.111111111,0.075,0.04,0.011111111,0,0,0,0,0,0.681666667,26.13754986,38.45794636,52.27509973,5.227509973,26.13754986,0.077277354,0.007727735,-2.560354325,66.09421116,6.609421116,4.191081166,0,181.516305,4.321928095,3.761200116,4.465908119,5.303304908,6.033086222,6.876264612,7.611347717,8.456381052,9.192888978,10.03867383,80.73905555,2.944438979,0,4.204692619,0,5.645446898,0,7.150701458,0,8.687610844,8.933136544,142.1721507,4.44287971,18.25157703,1.825157703,0,0,0,126,10,5.945,42,1.232032258,2.124770322,2.926159635,3.496864402,4.128613317,4.98818029,6.279816121,8.149714457,0,0,73.3510472,85.38199855,81.96202804,64.48160674,69.43340873,45.17287516,17.93228805,8.28063147,0,0,277.889902,351.5298912,407.8777097,352.6094644,405.0820583,386.2408786,282.3268639,253.3236414,0,0,8.95613516,15.11490047,20.74578486,24.32818843,28.72975398,34.50721896,42.6064625,54.75356319,0,0,2.112699944,2.832729608,3.51354958,3.256414932,3.800246972,3.984260396,3.488796925,3.623468219,0,0,177.010611,329.6808697,457.5375099,582.4562517,686.7540829,843.9647063,1128.133416,1507.026062,0,0,2.500276882,3.507036018,4.94689683,5.11798081,6.173904793,7.298671165,7.321342401,8.149714457,0,0,0.438284758,0.594942372,0.74579493,0.701179529,0.819969968,0.871858293,0.786367187,0.83453076,0,0,413.5053262,223.1601779,10.03253886,143.7517858,-77.57983287,-8.575521772,269.7535404,300.7400108,18.60806063,0.742036875,0.400461785,0.018003429,0.257963125,-0.139217304,-0.015388806,230.4287839,124.3575963,5.59070363,80.10670502,-43.23191362,-4.778770497,0.055257491,0.120505115,0.556196043,6.866978722,557.2571121,0,1,0,558.7341223,23.63755745,8.236355148,771.8489161,27.78216903,9.17298675,1080.418817,32.86972493,10.26118174,2.077868105,2.077868105,821.1464482,786.9980821,170.5117842,1.04339066,4.815775357,4.615505526,4.60331556,4.466158665,8.836778877,0.978608361,6.135820607,8.580015109,3.538140431,44.22605875,10.12356272,21.7727246,12.11094138,20.43837398,12.73332827,6.600731938,5.982037061,8.571535741,5.545364375,0.860264984,2.474850258,0.241081057,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.514936257,8.539909222,0.215062498,14.13773567,3.041422185,1.916382876,0.904242142,0.964478546,3.230356324,0.21241531,0.186775169,0.348417267,0.157389909,0.859561028,0.112752628,0.00169802,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.662277437,8.548032934,0.748193847,18.00143627,3.535819404,4.550289365,2.595963597,3.487529544,4.364855184,0.910074063,0.809344678,1.344081525,0.7110199,0.859696021,0.426540802,0.017694156,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,5.791713688,8.577537655,3.283344211,41.5782037,9.353489505,20.05506899,11.21409929,18.73253142,11.86668872,5.995143289,5.429016001,7.826552776,5.022299421,0.860218811,2.270681911,0.214798927,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,2.449891529,8.553628241,1.157278663,21.33012135,4.157644103,6.779772321,3.934184113,5.650649725,5.38275154,1.569027705,1.403103688,2.230325986,1.253238849,0.859791273,0.691937989,0.038433908,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,7.409894105,8.589213214,4.539851308,54.94487848,13.35687867,28.70248683,15.67086429,27.33756875,16.26555799,9.086503314,8.254710944,11.60415642,7.701421881,0.860439437,3.298422411,0.351593848,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,3.854504767,6.990190436,1.586371434,26.97158138,5.85455501,11.99790961,6.065040315,9.770799208,6.915188725,2.882591734,2.686825427,4.163098444,2.166813776,1.178545323,1.272864568,0.082607487,0.047741563,5.41E-20,1.18E-59,4.98E-121,4.04E-204,0.00E+00,0,0,0,0,0,0,0,0,5.971390427,1.241976874,0.961561427,0.73045168,0.151925101,0.480378242,0.49612135,0.414936674,8.174928727,14.35242457,29.65860901,0.595677521,1.391436265,5.055819092,0.723163463,0.480087442,0.807758836,0.115538485,0.344247659,0.167519587,0.103091721,6.259069996,6.430600593,14.44495844,0.711638253,0.614858966,5.430519009,0.935283693,0.677357556,0.771034423,0.132793186,0.3972202,0.28060001,0.205544331,7.043160258,9.391000436,19.87451112,0.656551635,0.883364541,5.949807662,1.229728868,0.950231485,0.731854544,0.15126248,0.476908422,0.486327961,0.405191975,8.129768014,14.1388719,29.22115133,0.597781816,1.368428357,5.592740509,1.027212064,0.762660485,0.757555687,0.139139361,0.421331166,0.338721065,0.260726811,7.382613058,10.79370676,22.55775132,0.636333531,1.020779042,6.038623059,1.280135467,0.996850159,0.72617932,0.153943688,0.491267833,0.527267844,0.446031557,8.315608685,15.02596115,31.04747631,0.58926898,1.464567234,5.964749604,1.232421598,0.952213538,0.731926372,0.151228791,0.479316163,0.488715033,0.406958516,8.14938474,14.20433009,29.35351867,0.597889557,1.374989712 +UMLS0224,L,"3,3,5-Trimethylheptane",CCC(C)CC(C)(C)CC,23544,,"Sandia, UML",[1],C10H22,PubChem,,-2.3,0,1.4138,1.99883044,32.9503,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1250.044159,1205.684934,651.912242,153.584928,12.192768,0,0,3399.790734,4147.41404,5455.451468,6043.07873,4805.668928,2142.045985,373.0049332,0,0,146.842108,144.889944,255.20326,324.759192,375.617864,286.167168,80.621568,0,0,25.74688067,32.32302034,45.12577094,52.57906413,47.4277504,25.36305606,5.335354858,0,0,3476.407621,2904.481805,5646.065419,7299.004401,8979.043697,7448.590342,2219.011824,0,0,42.55555556,47.11111111,63.66666667,86,94.66666667,58,12,0,0,48.76541633,51.7541979,34.72344886,26.21054204,12.07244893,3.656784,1.016064,0,0,161.8947969,207.370702,151.5403185,131.3712767,88.99386904,51.00109489,31.08374443,0,0,6.992481333,7.2444972,7.088979444,7.059982435,6.95588637,6.813504,6.718464,0,0,1.226041937,1.616151017,1.253493637,1.143023133,0.878291674,0.603882287,0.444612905,0,0,165.54322,145.2240902,156.8351505,158.6740087,166.278587,177.3473891,184.917652,0,0,2.026455026,2.355555556,1.768518519,1.869565217,1.75308642,1.380952381,1,0,0,0.047499648,-0.012245035,-0.006659622,0.00265109,-0.023341202,0.001006408,0.014838538,0,0,564.9747087,-53.80711511,2.95E-13,-228.6802392,-322.8426907,161.4213453,161.4213453,0,0,1050.594596,-100.0566282,-2.84E-14,-425.2406698,-600.3397692,300.1698846,300.1698846,0,0,0.110674667,-0.010540444,1.02E-15,-0.044796889,-0.063242667,0.031621333,0.031621333,0,0,4.696646663,-0.447299682,4.75E-15,-1.901023649,-2.683798093,1.341899046,1.341899046,0,0,25.51225921,-2.429738973,1.35E-14,-10.32639063,-14.57843384,7.289216918,7.289216918,0,0,6.105820106,-2.053162006,0.114890401,0.72058453,-2.198034769,-0.846560847,1.209372638,0,0,0.002261888,-6.12E-04,-1.85E-04,5.76E-05,-4.32E-04,2.40E-05,0.001236545,0,0,26.90355756,-2.690355756,8.19E-15,-4.971309548,-5.978568346,3.843365365,13.45177878,0,0,50.0283141,-5.00283141,-7.89E-16,-9.244362388,-11.11740313,7.146902014,25.01415705,0,0,0.005270222,-5.27E-04,2.84E-17,-9.74E-04,-0.00117116,7.53E-04,0.002635111,0,0,0.223649841,-0.022364984,1.32E-16,-0.041326601,-0.049699965,0.031949977,0.111824921,0,0,1.214869486,-0.121486949,3.76E-16,-0.224486753,-0.269970997,0.173552784,0.607434743,0,0,0.290753338,-0.1026581,0.0031914,0.015664881,-0.040704348,-0.020156211,0.100781053,0,0,-0.270681736,-0.081785441,0.025479769,-0.19109898,0.010593846,0.546687053,0,0,-0.1,3.04E-16,-0.184782609,-0.222222222,0.142857143,0.5,0,0,-0.1,-1.58E-17,-0.184782609,-0.222222222,0.142857143,0.5,0,0,-0.1,5.39E-15,-0.184782609,-0.222222222,0.142857143,0.5,0,0,-0.1,5.89E-16,-0.184782609,-0.222222222,0.142857143,0.5,0,0,-0.1,3.10E-16,-0.184782609,-0.222222222,0.142857143,0.5,0,0,-0.353076256,0.010976314,0.053876874,-0.139996149,-0.06932409,0.346620451,0,0,1.564371244,0.963078092,0.955395702,1.183930077,0.807092707,0.188620305,0,0,1.5,1.130952381,1.257763975,1.111111111,0.510204082,0,0,0,1.5,1.130952381,1.257763975,1.111111111,0.510204082,0,0,0,1.5,1.130952381,1.257763975,1.111111111,0.510204082,0,0,0,1.5,1.130952381,1.257763975,1.111111111,0.510204082,0,0,0,1.5,1.130952381,1.257763975,1.111111111,0.510204082,0,0,0,1.719670711,0.722848065,0.822846809,1.219911419,1.091854419,0,0,0,25.35151628,12.67575814,18.59510582,25.35151628,3.621645183,12.67576696,0,0.049371259,0.007053037,-2.105870775,24.20116,3.457308572,2.230480396,25.35151628,12.67575814,18.59510582,25.35151628,3.621645183,12.67576696,0,0.049371259,0.007053037,-2.105870775,24.20116,3.457308572,2.230480396,25.35151628,12.67575814,18.59510582,25.35151628,3.621645183,12.67576696,0,0.049371259,0.007053037,-2.105870775,24.20116,3.457308572,2.230480396,25.35151628,12.67575814,18.59510582,25.35151628,3.621645183,12.67576696,0,0.049371259,0.007053037,-2.105870775,24.20116,3.457308572,2.230480396,25.35151628,12.67575814,18.59510582,25.35151628,3.621645183,12.67576696,0,0.049371259,0.007053037,-2.105870775,24.20116,3.457308572,2.230480396,25.35151628,12.67575814,18.59510582,25.35151628,3.621645183,12.67576696,0,0.049371259,0.007053037,-2.105870775,24.20116,3.457308572,2.230480396,40.10474213,19.81030757,30.35860868,39.75893714,5.679848163,19.81030758,-0.484126984,0.107632549,0.015376078,-1.560322523,18.73768826,2.676812608,2.051375837,0,11.79,12.21004853,-0.305320502,0.114987096,5.445298501,8.439504935,6,20,19,19,5,1,1,0,0,1,15.304898,3.565292782,3.03540741,2.613997346,2.333552793,1.675597955,1.102262358,0.739985602,0.083923071,1.918530136,1.567383032,1.347093373,1.249629723,0.723890459,0.413791041,0.25831699,0.083923071,3.587893338,3.070703907,2.667854002,2.405454588,1.758753628,1.212231904,0.877930762,0.270913902,1.864414094,1.489651661,1.250062434,1.134540686,0.594479685,0.260418366,0.090857889,0.270913902,3.689315046,3.227910323,2.898784453,2.704236987,2.103995223,1.65828376,1.412692074,0.943918427,1.709971514,1.259528981,0.943388844,0.76031856,0.16847813,0.260486965,0.493410186,0.943918427,3.60465101,3.096841155,2.707282414,2.457539916,1.819036029,1.291408817,0.975588878,0.399277246,1.83036919,1.439958679,1.186389042,1.058262671,0.508292341,0.15709758,0.022962003,0.399277246,3.739949465,3.30509823,3.006588766,2.838982085,2.258667486,1.852025978,1.635232374,1.207644823,1.66329552,1.18785523,0.841385993,0.631337262,0.01997399,0.448556552,0.71226082,1.207644823,3.594277243,3.199972629,2.786274055,2.519174164,1.847416484,1.350680593,1.023095843,0.512195122,1.904964007,1.369231409,1.036671855,0.982588798,0.463067975,0.081833427,0.102832313,0.512195122,0,0,1,1,0,3,0,2,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.525783423,0,0.19245009,0,1.276142375,0.707106781,0.23570226,1.046766366,0.40824829,0.136082763,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,5.439157589,2.806965765,2.338835953,1.42335187,0.272165527,0,0,0,0.777022513,0.467827627,0.334119422,0.237225312,0.136082763,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.39069,33.929,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,5,1,0,2,0,0,0,0,0,0,0,0,3,1,0,0,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.672592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.370972222,0.300694444,0,0,1.228333333,0.290277778,0,0.671666667,0,0,0,0,0,0,0,0,6.579722222,3.681851852,0,0,1.990740741,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.990740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.370972222,0.300694444,0,0,0.225625,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.178240741,3.681851852,0,0,1.990740741,0,0.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.681851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.370972222,0.300694444,0,0,0.290277778,0.290277778,0,0.370972222,0,0,0,0,0,0,0,0,2.200740741,3.681851852,0,0,1.990740741,0,0.747685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.952380952,0.370972222,3.681851852,0.225625,0.666666667,5.171775833,0.666666667,0.681851852,2.523148148,0.666666667,0.681851852,2.523148148,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0.28571,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.16198,0.88028,7.55695,1.39497,0.19928,2.64272,0.37753,3.18073,0.53801,0.07686,0.23327,0.03332,0.23327,0.03332,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.127387765,2.843301946,3.236857303,3.027699331,2.191067441,19.28421252,44.67514307,59.70934087,67.97400337,63.58168595,46.01241626,0.209068641,0.484342902,0.647335261,0.736936107,0.68931706,0.498840869,3.474021589,2.264929658,1.549015477,1.155460119,1.364618092,2.201249982,0.209068641,0.484342902,0.647335261,0.736936107,0.68931706,0.498840869,6.73287657,15.74885826,17.91238428,18.30901922,15.79912355,8.058641897,27.64912502,18.81705526,16.14024519,15.72677782,14.47182999,10.49782851,7,3.06122449,2.666666667,7,2,5,2.23,1.0519,1.944161297,1.941967087,4.930998067,0,0,1.414213562,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.144,0.14,0.089,0.137,2.704,7,6,2,0,0,0,0,0,0,28,2.079441542,2.197224577,2.197224577,1.609437912,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,2,1.111111111,0.25,0,0,0,0,0,0,0,0.333333333,0.158730159,0.041666667,0,0,0,0,0,0,0,0.533730159,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,0,126.9918924,3.807354922,3.295836866,3.970291914,4.691347882,5.398162702,6.120297419,6.834108739,7.556427969,8.272059622,8.994296558,68.13282967,2.564949357,0,3.713572067,0,5.056245805,0,6.463029457,0,7.890956716,8.168486417,98.10955045,4.671883355,12.50524286,1.786463266,0,0,0,46,6,3.831,26,1.2236,2.12895244,2.927336539,3.543158958,4.239426614,5.439833782,0,0,0,0,73.7959167,83.81884596,84.8831118,49.10181354,17.45662174,5.527219272,0,0,0,0,278.2003652,350.4277317,406.636193,337.418629,230.9528922,169.090403,0,0,0,0,8.897867644,15.15328829,20.71201403,24.71213761,28.95567337,36.54732743,0,0,0,0,2.110244062,2.836954539,3.476967904,3.259079858,2.677963218,2.4186203,0,0,0,0,175.6104775,329.5213266,461.3240525,584.1422883,746.2497583,1005.92129,0,0,0,0,2.935777778,3.921586357,5.636619749,6.463046534,6.120756198,5.439833782,0,0,0,0,0.43759575,0.596197725,0.737533666,0.705440967,0.597250572,0.557038979,0,0,0,0,347.1170594,151.9600096,10.393001,128.121806,-56.0888333,-8.063138946,218.9952533,208.0488429,18.45613994,0.730405454,0.319755013,0.021869005,0.269594546,-0.118022404,-0.016966497,164.9635175,72.21730257,4.939158002,60.88846174,-26.6555935,-3.831917004,0.129990543,0.233834906,2.099229663,5.235900227,475.2388654,0,1,0,393.1393776,19.82774263,7.32569526,529.3948196,23.00858143,8.089590956,651.4395304,25.52331347,8.668781095,1.340707606,1.281441922,366.2892296,268.4728533,126.9132064,1.364343639,2.88613959,2.115405172,3.854512688,3.477616438,6.522110511,0.875454245,4.149594424,4.863358144,3.251662307,18.30627514,7.188080907,4.117169293,8.406518829,12.64965327,4.762890705,1.307486916,0.680943934,1.904596212,2.41E-10,5.90E-42,2.78E-95,2.53E-170,4.43E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348257413,4.863166875,0.196488877,7.216247957,2.01652655,0.244033409,0.743973091,0.583563103,0.843250528,0.059980316,0.035428352,0.013414227,1.70E-12,4.15E-44,1.96E-97,1.78E-172,3.12E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,1.124191339,4.863180135,0.684632581,8.801171941,2.394773585,0.847503339,2.046267299,2.198796159,1.186530993,0.226404147,0.128678013,0.139786586,1.77E-11,4.33E-43,2.04E-96,1.85E-171,3.25E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,3.916879296,4.863337314,3.016697619,17.38721927,6.631848347,3.813861947,7.844808964,11.61108303,4.361331847,1.199906545,0.627801015,1.696960935,2.15E-10,5.25E-42,2.48E-95,2.25E-170,3.95E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.656845653,4.863196893,1.059955439,10.09071848,2.855555707,1.317326233,3.017983723,3.559306608,1.557816139,0.366842895,0.204126536,0.303635144,3.85E-11,9.40E-43,4.43E-96,4.03E-171,7.06E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,5.011233796,4.863445625,4.176050746,21.98177761,9.519645791,5.315341307,10.59143422,16.8355172,6.433168547,1.741243984,0.893178314,2.777674578,3.52E-10,8.60E-42,4.05E-95,3.69E-170,6.46E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,2.268877043,3.242421163,1.36176965,10.24732126,4.015590412,2.089064696,4.514278629,5.11851906,2.526614017,0.689514945,0.283170998,0.499659089,6.33E-11,1.55E-42,7.29E-96,6.63E-171,1.16E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,3.231765065,1.814860385,0.521721408,0.580381422,0.32592445,0.475938476,0.542098257,0.474939161,5.568346858,8.498134925,17.12648343,0.370572132,1.492975894,2.60513677,1.147423686,0.148389197,0.667821172,0.294139578,0.301725753,0.207102812,0.037936216,3.900949653,3.546035068,7.890549061,0.501731758,0.546764781,2.853159416,1.413017789,0.297008496,0.625256039,0.309655991,0.365186277,0.319801525,0.153248601,4.563185701,5.298655885,11.05925065,0.437884058,0.838236403,3.216164188,1.798393581,0.512509031,0.58189349,0.325379382,0.471028622,0.531725771,0.458290392,5.527066801,8.353935177,16.84531784,0.372840235,1.461044784,2.964071926,1.531206406,0.363093233,0.610095767,0.31516865,0.395849437,0.378584007,0.229507047,4.858371565,6.170811063,12.67711972,0.41514365,1.003940491,3.280636638,1.86639181,0.550555246,0.575794374,0.327576023,0.491517928,0.575267203,0.528946412,5.697583694,8.956676867,18.02528465,0.363691561,1.595731542,3.239065437,1.798751796,0.511443066,0.583693188,0.324142624,0.476709771,0.530010526,0.456468413,5.549260299,8.402831464,16.9318996,0.375539783,1.463188709 +UMLS0225,L,"3,4-dimethyl-1-pentene",CC(C)C(C)C=C,23866,,"Sandia, UML",[1],C7H14,PubChem,,18,0,2.3095,5.33379025,34.7352,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1216.771087,1174.35831,679.08893,184.911552,18.289152,0,0,3399.790734,4147.41404,5204.492852,5596.019286,4870.125077,2589.105429,559.5073998,0,0,146.842108,144.889944,254.005756,263.49468,336.504584,347.43168,120.932352,0,0,25.74688067,32.32302034,43.11897672,47.23968518,46.76686718,30.70243501,8.003032287,0,0,3476.407621,2904.481805,5741.450732,5698.335742,7774.152472,9049.259002,3328.517736,0,0,37.80555556,45.27777778,62.66666667,71.16666667,81,63,18,0,0,48.76541633,51.7541979,33.79919686,31.73941378,14.14768604,3.625716706,1.016064,0,0,161.8947969,207.370702,144.5692459,151.2437645,101.4609391,50.76677312,31.08374443,0,0,6.992481333,7.2444972,7.055715444,7.121477838,7.010512167,6.812385882,6.718464,0,0,1.226041937,1.616151017,1.197749353,1.276748248,0.974309733,0.60200853,0.444612905,0,0,165.54322,145.2240902,159.4847426,154.0090741,161.9615098,177.436451,184.917652,0,0,1.80026455,2.263888889,1.740740741,1.923423423,1.6875,1.235294118,1,0,0,0.032400449,0.003116075,3.38E-04,-0.022608921,-0.021707055,0.013166372,0.011495371,0,0,564.9747087,-53.80711511,121.066009,-269.0355756,-524.6193723,201.7766817,242.132018,0,0,1050.594596,-100.0566282,225.1274134,-500.283141,-975.5521249,375.2123557,450.2548269,0,0,0.110674667,-0.010540444,0.023716,-0.052702222,-0.102769333,0.039526667,0.047432,0,0,4.696646663,-0.447299682,1.006424285,-2.236498411,-4.361171901,1.677373808,2.01284857,0,0,25.51225921,-2.429738973,5.466912688,-12.14869486,-23.68995498,9.111521147,10.93382538,0,0,3.518518519,-1.290123457,1.12037037,-0.672839506,-2.907407407,0.601851852,1.388888889,0,0,0.001542879,1.56E-04,9.39E-06,-6.11E-04,-4.52E-04,2.58E-04,6.39E-04,0,0,26.90355756,-2.690355756,3.362944694,-7.271231772,-10.92957026,3.956405523,13.45177878,0,0,50.0283141,-5.00283141,6.253539262,-13.52116597,-20.3240026,7.357105014,25.01415705,0,0,0.005270222,-5.27E-04,6.59E-04,-0.001424384,-0.002141028,7.75E-04,0.002635111,0,0,0.223649841,-0.022364984,0.02795623,-0.060445903,-0.090857748,0.032889683,0.111824921,0,0,1.214869486,-0.121486949,0.151858686,-0.328343104,-0.493540729,0.178657277,0.607434743,0,0,0.167548501,-0.064506173,0.031121399,-0.018184852,-0.060570988,0.011801017,0.077160494,0,0,0.100982513,0.006084083,-0.396046668,-0.293108169,0.167326302,0.413922231,0,0,-0.1,0.125,-0.27027027,-0.40625,0.147058824,0.5,0,0,-0.1,0.125,-0.27027027,-0.40625,0.147058824,0.5,0,0,-0.1,0.125,-0.27027027,-0.40625,0.147058824,0.5,0,0,-0.1,0.125,-0.27027027,-0.40625,0.147058824,0.5,0,0,-0.1,0.125,-0.27027027,-0.40625,0.147058824,0.5,0,0,-0.385,0.185745614,-0.108534851,-0.361513158,0.070433437,0.460526316,0,0,1.251733078,1.287001458,1.669585361,1.118146346,0.452776382,0.00533375,0,0,1.5,0.952380952,1.447876448,1.383928571,0.504201681,0,0,0,1.5,0.952380952,1.447876448,1.383928571,0.504201681,0,0,0,1.5,0.952380952,1.447876448,1.383928571,0.504201681,0,0,0,1.5,0.952380952,1.447876448,1.383928571,0.504201681,0,0,0,1.5,0.952380952,1.447876448,1.383928571,0.504201681,0,0,0,1.863157895,0.660087719,1.197012802,1.470394737,0.66873065,0,0,0,23.95673957,11.97836979,16.99818299,23.95673957,3.422391368,11.97838688,1.78E-15,0.138072152,0.019724593,-1.385985222,36.23415696,5.176308136,2.513001565,23.95673957,11.97836979,16.99818299,23.95673957,3.422391368,11.97838688,1.78E-15,0.138072152,0.019724593,-1.385985222,36.23415696,5.176308136,2.513001565,23.95673957,11.97836979,16.99818299,23.95673957,3.422391368,11.97838688,1.78E-15,0.138072152,0.019724593,-1.385985222,36.23415696,5.176308136,2.513001565,23.95673957,11.97836979,16.99818299,23.95673957,3.422391368,11.97838688,1.78E-15,0.138072152,0.019724593,-1.385985222,36.23415696,5.176308136,2.513001565,23.95673957,11.97836979,16.99818299,23.95673957,3.422391368,11.97838688,1.78E-15,0.138072152,0.019724593,-1.385985222,36.23415696,5.176308136,2.513001565,23.95673957,11.97836979,16.99818299,23.95673957,3.422391368,11.97838688,1.78E-15,0.138072152,0.019724593,-1.385985222,36.23415696,5.176308136,2.513001565,27.36749176,13.63930143,19.88193222,27.30399969,3.900571385,13.63930442,-0.088888889,0.198817513,0.028402502,-1.130757528,27.28091668,3.897273812,2.314331205,0,11.89,12.11009426,-0.17149268,0.051060651,5.53474388,8.326256213,6,20,19,19,5,1,1,0,0,1,15.304898,3.60851281,2.944454247,2.579419807,2.333552793,1.823506219,1.268967928,0.083923071,0.083923071,1.907231508,1.569740786,1.369182976,1.249629723,0.859084142,0.183929317,0.083923071,0.083923071,3.625840687,2.988480225,2.638165852,2.405454588,1.904974735,1.353636545,0.270913902,0.270913902,1.857979606,1.483184305,1.265433854,1.134540686,0.730206018,0.090638653,0.270913902,0.270913902,3.706792717,3.18009016,2.888430946,2.704236987,2.244261259,1.684653676,0.943918427,0.943918427,1.723905579,1.217734755,0.936500977,0.76031856,0.307880842,0.257467103,0.943918427,0.943918427,3.638857553,3.020848793,2.681077864,2.457539916,1.964078528,1.41387815,0.399277246,0.399277246,1.82755594,1.427070779,1.197301609,1.058262671,0.644503889,0.02519969,0.399277246,0.399277246,3.749102655,3.271471588,3.00448923,2.838982085,2.397005259,1.821273886,1.207644823,1.207644823,1.685533152,1.131973078,0.826455575,0.631337262,0.161491403,0.392689881,1.207644823,1.207644823,3.620302538,3.063730944,2.777878518,2.571572866,2.020231566,1.443960866,0.545454545,0.545454545,1.830005432,1.362766176,1.086501209,0.935209229,0.565691956,0.009769432,0.545454545,0.545454545,0,0,0,0,2,4,1,0,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.426776695,0,0.176776695,0,1.276142375,0.707106781,0.23570226,0.957106781,0.530330086,0.176776695,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,5.707106781,2.810660172,2.133883476,1.383883476,0.353553391,0,0,0,0.815300969,0.468443362,0.304840497,0.230647246,0.176776695,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,4,0,0,0,0,0,0,0,0,0,0,4,0,1,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.974537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.533680556,1.161111111,0,0,0,0,0,0,0,0,0,0,8.662037037,0,1.196759259,0,0,0,0,0,0,2.974537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.460648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.243402778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.15162037,0,1.196759259,0,0,0,0,0,0,1.460648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.513888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290277778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.18287037,0,1.196759259,0,0,0,0,0,0,1.513888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.83333333,1.833333333,0.290277778,2.18287037,0.041666667,1.196759259,3.899428241,0.303240741,0.18287037,1.324074074,0.303240741,0.18287037,1.324074074,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0.28571,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.59155,0.94165,7.55695,0.9654,0.13791,2.56498,0.36643,3.18073,0.61575,0.08796,0.23327,0.03332,0.23327,0.03332,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.532419498,2.485693612,2.485693612,2.492217783,2.173802199,19.28421252,32.18080947,52.19956586,52.19956586,52.33657345,45.64984618,0.209068641,0.348886328,0.565918483,0.565918483,0.567403843,0.494910087,3.474021589,2.859897924,1.90662381,1.90662381,1.900099639,2.218515224,0.209068641,0.348886328,0.565918483,0.565918483,0.567403843,0.494910087,6.73287657,14.10236054,16.10996786,16.10996786,15.25945184,8.041241554,27.64912502,19.06539253,18.802954,18.802954,15.54628285,11.28266467,7,3.06122449,2.666666667,7,2,5,2.23,1.0519,1.944161297,1.941967087,4.930998067,0,0,1.414213562,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.099,0.064,0.179,0.192,3.161,7,6,2,0,0,0,0,0,0,28,2.079441542,2.48490665,2.48490665,1.609437912,0,0,0,0,0,0,3.713572067,1.428571429,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,5,0.833333333,0,2,4,1,2,1.111111111,0.25,0,0,0,0,0,0,0,0.333333333,0.158730159,0.041666667,0,0,0,0,0,0,0,0.533730159,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,0,126.9918924,3.807354922,3.295836866,3.970291914,4.691347882,5.398162702,6.120297419,6.834108739,7.556427969,8.272059622,8.994296558,68.13282967,2.564949357,0,3.713572067,0,5.056245805,0,6.463029457,0,7.890956716,8.168486417,98.10955045,4.671883355,12.50524286,1.786463266,0,0,0,46,6,2.898,26,1.213848913,2.09186114,3.049804568,3.780807083,4.442719311,4.382722534,0,0,0,0,73.91066692,83.64409655,107.8046993,55.52307876,15.26733998,4.453126589,0,0,0,0,277.625505,339.5346801,490.6759856,397.7827918,219.2016203,136.2314272,0,0,0,0,8.829207949,14.84432065,21.77762252,26.57128163,30.23526131,29.44516357,0,0,0,0,2.102337097,2.732530977,4.067186508,3.795719829,2.623849797,1.948614997,0,0,0,0,174.0709866,327.5165484,465.6103549,607.1094342,790.7104221,810.4427604,0,0,0,0,2.843601712,3.858005004,6.047185759,6.534906991,5.412264848,4.382722534,0,0,0,0,0.435823604,0.574031844,0.857333456,0.818633665,0.588343923,0.448790787,0,0,0,0,314.7303807,119.0430132,8.450175196,62.80295696,-23.75446951,-3.512103642,251.9274238,142.7974827,11.96227884,0.833649242,0.315317884,0.022382593,0.166350758,-0.06292019,-0.009302764,118.8212111,44.94270609,3.190222846,23.71020996,-8.96810416,-1.32593621,0.08124934,0.202860389,1.892664126,0.880396622,377.5333377,0,1,0,389.5022539,19.73581146,7.303034042,529.8836948,23.01920274,8.092080329,640.7077204,25.31220497,8.620914126,1.063213438,1.021936521,379.5155504,232.0053667,163.5541217,1.63580505,2.32042792,1.418523509,3.947563325,3.548039917,6.178942665,0.74150878,5.795435508,4.928021254,3.525364891,13.75409647,9.407634401,4.845330622,8.779942509,11.6848651,8.276647587,1.476618155,0.148983261,7.26E-05,8.03E-30,1.98E-76,1.05E-144,1.13E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.486373436,4.903414853,0.143371644,5.046678875,2.246952985,0.281270079,2.972462247,0.86642275,0.126848969,0.012290894,0.001055315,5.12E-07,5.65E-32,1.40E-78,7.36E-147,7.93E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.57006619,4.905059227,0.563299701,5.887124997,3.184214934,0.979836253,4.144726703,2.459304125,0.783591682,0.11323364,0.010949979,5.33E-06,5.89E-31,1.45E-77,7.67E-146,8.26E-236,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.470418532,4.925319732,3.222659988,12.88958212,8.783752295,4.483474654,8.419755007,10.80486203,7.421548522,1.316942225,0.132745544,6.47E-05,7.15E-30,1.77E-76,9.31E-145,1.00E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.313987292,4.907191131,0.931857138,6.742256877,3.983316875,1.528579149,4.953358782,3.735490277,1.533366191,0.241305399,0.023770019,1.16E-05,1.28E-30,3.16E-77,1.67E-145,1.79E-235,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.998827077,4.939380765,4.754761571,17.33134336,11.92822206,6.278733288,10.1188432,15.19030894,11.84710364,2.147341044,0.217258469,1.06E-04,1.17E-29,2.89E-76,1.52E-144,1.64E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.334562297,4.522733367,1.387935089,7.908380838,5.186919604,2.243483683,6.062255371,5.663878953,2.727779173,0.446642274,0.044348871,2.16E-05,2.39E-30,5.90E-77,3.11E-145,3.35E-235,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.22715408,2.44931526,0.37903258,0.532929247,0.404477662,0.519085942,0.518850976,0.476039348,6.055501919,10.05588455,19.10738041,0.406110364,1.513976266,2.282946639,1.587072225,0.081713447,0.577707815,0.401614305,0.262248817,0.215687415,0.022124672,3.951732312,3.939433785,8.187230358,0.46898318,0.500060904,2.655955203,1.931527155,0.199798956,0.554794053,0.403470577,0.352515662,0.320523969,0.132274521,4.787281314,6.046623782,11.85888365,0.437396945,0.805314152,3.203589272,2.428157443,0.371671796,0.53362751,0.404462464,0.511511259,0.509772097,0.457729582,6.003418511,9.871980549,18.76656674,0.407134961,1.479012938,2.823109598,2.084175769,0.252434528,0.547143964,0.40393196,0.397633243,0.373854389,0.211148151,5.159719895,7.122624881,13.76763334,0.426613886,0.982635783,3.30098354,2.515500394,0.402077229,0.530827542,0.404514859,0.543218085,0.547792908,0.535684063,6.218561164,10.64230114,20.199561,0.403013603,1.626695056,3.206656726,2.431321707,0.371571308,0.533593508,0.404576351,0.512516862,0.511280209,0.457482107,6.009549741,9.891325128,18.79779866,0.407254788,1.481279178 +UMLS0226,L,"2,3-Dimethyl-2-Pentene",CCC(=C(C)C)C,25403,,"Sandia, UML",[1],C7H14,PubChem,,17.5,0,2.1434,4.59416356,44.9911,28.268688,0,0,26,10,16,0,10,0,0,0,0,0,0,0,0,0,1458.898234,1780.618739,2477.815719,2187.265091,1351.14135,581.387522,154.429632,18.289152,0,4732.508928,6494.471781,9563.090124,10498.36633,7936.45476,4437.685036,1656.593096,559.5073998,0,182.900584,196.827788,364.951644,478.738892,557.178648,419.852936,145.87776,120.932352,0,35.00280648,48.49460896,74.5628497,88.35386152,74.38521695,45.85752089,17.36404786,8.003032287,0,4226.625993,3844.69868,7764.073206,10192.16632,13268.25353,10496.03299,3501.729441,3328.517736,0,44.39583333,54.94444444,87.30555556,116.0555556,117.5833333,81.75,33,18,0,56.11147054,65.94884219,48.58462194,32.64574763,16.88926687,9.530942984,7.353792,1.016064,0,182.0195742,240.5359919,187.5115711,156.6920348,99.2056845,72.74893501,78.88538554,31.08374443,0,7.034637846,7.289918074,7.155914588,7.145356597,6.9647331,6.882835016,6.94656,6.718464,0,1.346261788,1.796096628,1.462016661,1.318714351,0.929815212,0.751762638,0.826859422,0.444612905,0,162.5625382,142.3962474,152.2367295,152.1218854,165.8531691,172.0661146,166.749021,184.917652,0,1.707532051,2.034979424,1.711873638,1.732172471,1.469791667,1.340163934,1.571428571,1,0,0.04077681,-2.71E-04,1.06E-04,-0.037536842,0.010401006,6.00E-04,-0.005300922,0.011613301,0,745.0215938,45.8474827,168.3462255,-774.3926374,-122.4987428,170.4953263,-182.6735639,322.3651127,0,1385.399467,85.25535183,313.046995,-1440.016177,-227.7916432,317.0433396,-339.6892925,599.4516926,0,0.145944615,0.008981207,0.03297787,-0.151698201,-0.023996663,0.033398864,-0.035784497,0.063149112,0,6.193380214,0.38113109,1.399465722,-6.437542319,-1.018334631,1.417331241,-1.518569187,2.679827977,0,33.64253962,2.070310131,7.601920011,-34.96883205,-5.53160988,7.698965798,-8.248891926,14.55686811,0,3.562232906,-1.23690212,1.35255383,-3.043115138,0.521120973,1.1632869,-1.692091963,1.154031065,0,0.001568339,-1.00E-05,2.07E-06,-5.60E-04,1.30E-04,9.84E-06,-2.52E-04,6.45E-04,0,28.65467669,1.698054915,3.300906383,-11.55809907,-1.531234285,2.795005349,-8.698741137,17.90917293,0,53.2845949,3.157605624,6.138176373,-21.49277876,-2.84739554,5.197431797,-16.17568059,33.30287181,0,0.005613254,3.33E-04,6.47E-04,-0.002264152,-3.00E-04,5.48E-04,-0.001704024,0.003508284,0,0.238206931,0.014115966,0.027440504,-0.096082721,-0.012729183,0.023234938,-0.072312818,0.148879332,0,1.293943832,0.076678153,0.149057255,-0.521922866,-0.069145124,0.126212554,-0.392804377,0.808714895,0,0.137008958,-0.04581119,0.026520663,-0.045419629,0.006514012,0.019070277,-0.080575808,0.064112837,0,-0.006397331,0.001323047,-0.357225976,0.082898266,0.006272947,-0.160950464,0.411380089,0,0.059259259,0.115196078,-0.403358209,-0.0534375,0.097540984,-0.303571429,0.625,0,0.059259259,0.115196078,-0.403358209,-0.0534375,0.097540984,-0.303571429,0.625,0,0.059259259,0.115196078,-0.403358209,-0.0534375,0.097540984,-0.303571429,0.625,0,0.059259259,0.115196078,-0.403358209,-0.0534375,0.097540984,-0.303571429,0.625,0,0.059259259,0.115196078,-0.403358209,-0.0534375,0.097540984,-0.303571429,0.625,0,-0.334366383,0.193568827,-0.331508462,0.047544425,0.139190001,-0.588106128,0.467946315,0,1.210723956,1.057168222,1.447323211,0.758241556,0.925049744,1.154861279,0.004709614,0,1.203703704,0.995710784,1.485541045,0.939453125,0.699282787,1.160714286,0,0,1.203703704,0.995710784,1.485541045,0.939453125,0.699282787,1.160714286,0,0,1.203703704,0.995710784,1.485541045,0.939453125,0.699282787,1.160714286,0,0,1.203703704,0.995710784,1.485541045,0.939453125,0.699282787,1.160714286,0,0,1.203703704,0.995710784,1.485541045,0.939453125,0.699282787,1.160714286,0,0,1.678705023,0.662244353,1.411906502,0.830349779,0.701087939,2.005162866,0,0,42.72860207,21.36430104,31.80969137,42.72860207,4.272860207,21.36430104,0,0.016973835,0.001697384,-4.076082228,52.76964938,5.276964938,3.965936203,42.72860207,21.36430104,31.80969137,42.72860207,4.272860207,21.36430104,0,0.016973835,0.001697384,-4.076082228,52.76964938,5.276964938,3.965936203,42.72860207,21.36430104,31.80969137,42.72860207,4.272860207,21.36430104,0,0.016973835,0.001697384,-4.076082228,52.76964938,5.276964938,3.965936203,42.72860207,21.36430104,31.80969137,42.72860207,4.272860207,21.36430104,0,0.016973835,0.001697384,-4.076082228,52.76964938,5.276964938,3.965936203,42.72860207,21.36430104,31.80969137,42.72860207,4.272860207,21.36430104,0,0.016973835,0.001697384,-4.076082228,52.76964938,5.276964938,3.965936203,42.72860207,21.36430104,31.80969137,42.72860207,4.272860207,21.36430104,0,0.016973835,0.001697384,-4.076082228,52.76964938,5.276964938,3.965936203,52.9383338,26.30069468,40.43927058,52.66877824,5.266877824,26.30069468,-0.336944444,0.163164956,0.016316496,-1.81299359,59.47149601,5.947149601,4.085497139,0,11.89,12.11015511,-0.154789269,0.067559481,6.28711485,9.265432956,11,27,26,26,10,1,1,0,0,1,17.491312,3.922296377,3.330332814,2.688995522,2.541415998,2.333552793,2.144552775,1.400151681,0.910400562,1.89408773,1.720523985,1.387842965,1.249629723,1.225664032,0.882490679,0.515232099,0.455500206,3.935957104,3.350637366,2.732871706,2.590532161,2.405454588,2.209083022,1.489536766,1.026851517,1.849622581,1.656701689,1.298282902,1.134540686,1.131898355,0.785240523,0.372694842,0.317525093,3.997440694,3.446704913,2.931340439,2.802606937,2.704236987,2.477654826,1.865093587,1.504817668,1.726460131,1.476917152,1.034995013,0.849665897,0.76031856,0.475951085,0.085407887,0.142452261,3.946088556,3.365955511,2.765569456,2.626576334,2.457539916,2.255879768,1.554695013,1.111289967,1.822005394,1.616680611,1.240935555,1.071444423,1.058262671,0.721643088,0.277976987,0.225718455,4.028407064,3.497547585,3.029477921,2.902541425,2.838982085,2.598590305,2.034168588,1.71228436,1.690257908,1.423912017,0.955874856,0.760954898,0.631337262,0.369215605,0.235535251,0.309429581,3.884130275,3.441592381,2.850836661,2.675059736,2.662620106,2.371965038,1.65549971,1.203160394,1.794755936,1.583820649,1.145518589,1.001177692,0.85357488,0.616742537,0.173304036,0.10778122,0,0,0,1,1,3,2,2,1,0.166666667,0.569035594,0.554737854,0.808761993,0.993132813,0.166666667,0.569035594,0.554737854,0.685459219,0.759706671,1.435060998,0.166666667,0.23570226,0.166666667,1.350510008,0.166666667,0.23570226,0.166666667,2.373222859,2.632695319,3.108050651,2.240212976,2.29934445,2.439965994,7.353371151,4.621027034,4.952577595,3.748007436,2.611360431,2.109238808,1.317508329,0.436431954,0.735337115,0.420093367,0.2751432,0.170363974,0.108806685,0.072732373,0.050673397,0.036369329,7.14626437,4.277656999,4.524656571,3.38336965,2.186421425,1.61978213,0.960891135,0.308603994,0.714626437,0.388877909,0.251369809,0.15378953,0.091100893,0.055854556,0.036957351,0.025716999,14.33462243,25.10269483,23.80392157,24.08,16.38843593,197.7114299,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,2.92489,43.482,49.1922031,65.31206142,98.3844062,9.83844062,49.1922031,0.048701325,0.004870132,-3.022049048,51.72554683,5.172554683,3.945951795,84,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,6,3,0,1,0,0,0,0,0,0,0,0,3,0,2,0,1,0,2,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.043935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252916667,0,0,1.507361111,0.870833333,0,0.252916667,0,0,0,0,0,0,0,0,7.091435185,0,2.72337963,0,2.42650463,0,2.049722222,0,0,1.617430556,0,0,0.674861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.617430556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252916667,0,0,0.22,0.290277778,0,0.252916667,0,0,0,0,0,0,0,0,2.268472222,0,1.350694444,0,2.42650463,0,1.024259259,0,0,1.617430556,0,0,0.674861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.42650463,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252916667,0,0,0.290277778,0.290277778,0,0.252916667,0,0,0,0,0,0,0,0,2.411481481,0,1.372685185,0,2.42650463,0,1.025462963,0,0,1.617430556,0,0,0.674861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.58333333,1.658333333,0.290277778,2.42650463,0.018194444,0.674861111,5.864005486,0.575138889,0.42650463,3.03587963,0.575138889,0.42650463,3.03587963,5,0.5,0,0,0.45385,0.7,0.44286,0.44286,0.7,0.01099,0.01099,0,0,0.71429,0,0,0.3,0.3,0.1,6.5,0.65,5.5,0.55,1,0.1,-4.5,-0.45,0,0,10.71688,1.07169,11.87998,1.16311,0.11631,4.06777,0.40678,4.62101,0.55324,0.05532,0.29299,0.0293,0.46499,0.0465,0.269230769,31,0,0,0,0,0,0,0.8,0.961236605,2.215695144,3.382568083,3.613337314,3.613337314,3.613337314,24.99215172,57.60807374,87.94677017,93.94677017,93.94677017,93.94677017,0.204499294,0.471380398,0.719628011,0.768723254,0.768723254,0.768723254,3.739203113,2.484744574,1.317871635,1.087102404,1.087102404,1.087102404,0.199951246,0.460896934,0.703623539,0.751626908,0.751626908,0.751626908,6.796774065,19.56870642,21.5902621,22.66838903,21.82283711,21.82283711,38.70844392,21.63427712,19.75933251,17.98976349,19.02839415,19.02839415,6.694214876,1.777777778,0.846880907,0,2,0,2.56,1.2574,0.814325285,3.079558666,3.687663322,1.889881575,1.650963624,5.853800636,1.310370697,1.650963624,2.080083823,0,0,0,0,0,0,0,0,0,0,0.003,0.162,0.163,0.346,0.549,4.525,18,22,24,29,26,12,0,0,0,152,2.564949357,3.091042453,3.295836866,3.465735903,3.850147602,3.871201011,3.17805383,0,0,0,5.379897354,1.421052632,0.4,2,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,3,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.272727273,0,3,5,0.666666667,3.5,3.111111111,0.784722222,0.646111111,0,0,0,0,0,0,0.318181818,0.207407407,0.071338384,0.107685185,0,0,0,0,0,0,0.704612795,22.21606521,32.43933995,44.43213043,4.443213043,22.21606521,0.065536682,0.006553668,-2.725145255,55.14522961,5.514522961,4.009970243,0,154.1669289,4.321928095,4.077537444,4.976733742,5.937536205,6.874198495,7.836369761,8.785233624,9.74689222,10.70101727,11.66206073,91.59757949,3.135494216,1.945910149,4.553876892,4.262679877,6.196444128,6.401917197,7.948385285,8.444837529,9.763823105,10.17225435,136.1252005,5.235584635,19.76989887,1.976989887,0,0,0,108,11,4.181,58,1.260098617,2.191655064,3.052380859,3.693088465,4.358018987,5.718018876,6.234402157,0,0,0,94.68085054,119.2604321,104.5930112,69.26929756,48.54539397,43.1710499,6.334551594,0,0,0,330.1525453,445.3639036,492.0886539,387.2657709,343.2028314,459.5301497,193.7885633,0,0,0,9.223066242,15.75281012,21.84034299,25.77354052,30.07958355,39.76093962,41.88560646,0,0,0,2.410043484,3.407822637,4.10849762,3.565034177,3.454584416,4.795664498,2.771895653,0,0,0,177.1265964,328.7761423,462.1960989,608.6880298,743.4574301,950.2577703,1152.851009,0,0,0,2.612539441,3.893974777,5.349274336,5.540189351,6.036602966,9.086614667,6.234402157,0,0,0,0.496242139,0.708722058,0.866681796,0.766615544,0.754280453,1.049043914,0.638402781,0,0,0,381.782309,178.5178145,11.29293094,157.809333,-73.79015889,-8.900435126,223.972976,252.3079734,20.19336607,0.70753933,0.330838732,0.020928662,0.29246067,-0.136751857,-0.016494761,206.006543,96.32672068,6.09357115,85.15259714,-39.816553,-4.802600405,0.122249988,0.181201913,3.377820745,4.627227319,539.5916421,0,1,0,732.1863799,27.0589427,9.013093616,887.3912695,29.78911327,9.609594247,1295.341282,35.99084997,10.90087607,1.526914311,1.278443433,566.7431624,519.6707886,182.3756242,1.090581143,3.107559823,2.849453105,4.173472247,4.488731946,7.599982616,0.69312463,4.554714966,9.663504204,4.47917335,23.86246548,10.70638323,20.0373239,12.40236206,13.95108418,8.742237502,6.506867578,1.887252434,4.028843004,1.998139156,0.368271978,1.12E-07,6.62E-36,7.52E-86,1.65E-157,6.96E-251,0,0,0,0,0,0,0,0,0,0,0,0.381510151,9.128997658,0.312999127,12.91769472,0.866978118,2.992337594,0.380172817,0.800302344,0.898577269,0.335539961,0.142737549,0.170019844,0.073044527,0.00259377,7.91E-10,4.66E-38,5.30E-88,1.16E-159,4.90E-253,0,0,0,0,0,0,0,0,0,0,0,1.231909993,9.164715003,1.051850437,14.56798708,2.248965957,5.720573521,1.528727165,2.785698063,1.973263481,1.221892294,0.383924391,0.659573654,0.298161218,0.02702908,8.25E-09,4.86E-37,5.52E-87,1.21E-158,5.11E-252,0,0,0,0,0,0,0,0,0,0,0,4.298724852,9.604820264,4.184659157,22.98591644,9.882406582,18.72815989,11.20455408,12.89873412,8.075841244,5.996985451,1.739804604,3.687145664,1.820911367,0.328123702,1.00E-07,5.90E-36,6.70E-86,1.47E-157,6.20E-251,0,0,0,0,0,0,0,0,0,0,0,1.816110459,9.211023912,1.592171292,15.87419406,3.383661627,7.816412122,2.704783139,4.356145443,2.867292635,1.941199897,0.583609518,1.084153293,0.502530801,0.058710773,1.79E-08,1.06E-36,1.20E-86,2.63E-158,1.11E-251,0,0,0,0,0,0,0,0,0,0,0,5.503109641,9.910262128,5.614435244,27.34241777,14.00882543,25.18623112,17.3616657,18.12821773,11.42103377,8.544696098,2.479340268,5.413739717,2.721749598,0.537090069,1.64E-07,9.65E-36,1.10E-85,2.40E-157,1.02E-250,0,0,0,0,0,0,0,0,0,0,0,2.970582748,8.012008829,2.375570044,17.47838065,5.293559693,11.60310854,5.103588654,7.211111952,4.90316289,3.35697789,1.105054309,2.134874817,1.005501125,0.133913701,4.09E-08,2.41E-36,2.73E-86,5.99E-158,2.53E-251,0,0,0,0,0,0,0,0,0,0,0,4.48829319,1.416154106,1.029780222,0.647266502,0.204226657,0.461702615,0.416600674,0.418604119,6.934227517,12.43639787,25.91602673,0.470899753,1.296907408,3.323653389,0.845421465,0.502428483,0.711474048,0.180974176,0.253673627,0.148782433,0.09991938,4.671503337,4.904549872,10.98782093,0.567211072,0.50237544,3.754496509,1.056840547,0.69790208,0.681490931,0.191830581,0.323376477,0.232260328,0.192657412,5.509239135,7.325746282,15.60419397,0.522236397,0.748294218,4.456041491,1.400376864,1.015217194,0.648468834,0.20379091,0.455103107,0.407380917,0.406890535,6.871635549,12.18567402,25.39240436,0.472703251,1.26937456,3.959354129,1.157234156,0.790674949,0.670251853,0.195900218,0.359505393,0.27837557,0.247162748,5.907263234,8.627458016,18.15751467,0.505377779,0.885043711,4.590533027,1.466161402,1.07593305,0.643596352,0.205556985,0.482939596,0.44650835,0.456813103,7.132627479,13.24706005,27.6212144,0.465394528,1.386261048,4.480007912,1.401308244,1.018161721,0.649325643,0.20310352,0.460037151,0.408043698,0.409332029,6.899477877,12.266003,25.55736986,0.473988465,1.277412877 +UMLS0227,L,"4,7,7-trimethylbicyclo[4.1.0]hept-3-ene",CC1=CCC2C(C1)C2(C)C,26049,Co optima database valuese measured by NREL,Sandia,,C10H16,PubChem,,17.7,0,2.2961,5.27207521,46.4272,32.269446,0,0,32,10,22,0,10,0,0,0,0,0,0,0,0,0,1464.994618,1564.733025,2354.803262,2587.805317,1719.51999,881.354379,254.505888,27.433728,0,4919.011395,6335.857676,9534.063539,12471.28092,11792.24029,7323.683729,3184.273894,839.2610996,0,223.211368,224.452548,424.994936,578.034004,877.803864,800.501484,369.98208,181.398528,0,37.67048391,49.59807482,76.88901016,105.287399,114.2364213,79.12051331,36.04986215,12.00454843,0,5336.131905,4509.845254,9454.660266,12378.61092,20852.40749,20507.14227,9413.241332,4992.776605,0,53.625,63.1875,97,150.625,194.25,149.25,72,27,0,45.78108181,50.47525887,39.24672103,31.94821379,13.64698405,7.53294341,4.713072,1.016064,0,153.7191061,204.3825057,158.901059,153.9664311,93.58920865,62.59558742,58.96803508,31.08374443,0,6.97535525,7.240404774,7.083248933,7.136222272,6.966697333,6.841893026,6.85152,6.718464,0,1.177202622,1.599937897,1.281483503,1.299844432,0.906638264,0.676243703,0.66759004,0.444612905,0,166.754122,145.4788792,157.5776711,152.822357,165.4952976,175.2747203,174.3192839,184.917652,0,1.67578125,2.038306452,1.616666667,1.859567901,1.541666667,1.275641026,1.333333333,1,0,0.041966717,-0.012923191,0.021169914,-0.021287334,-0.036873229,0.019626779,-0.005280043,0.014583746,0,832.3288119,-57.22260582,361.3063706,-646.4735715,-734.9085078,384.4791614,-42.56226879,319.2170159,0,1547.750967,-106.407879,671.8646245,-1202.145212,-1366.593752,714.9554185,-79.14635629,593.5976722,0,0.1630475,-0.011209516,0.070777438,-0.126639734,-0.143963531,0.075316828,-0.008337656,0.062532422,0,6.919166958,-0.475692728,3.003547475,-5.374148427,-6.109309917,3.196183373,-0.353821038,2.653657782,0,37.58502473,-2.58397045,16.31531755,-29.19245955,-33.18586843,17.36171881,-1.921961492,14.41471119,0,4.8671875,-3.140869141,3.264648438,-0.913818359,-4.445800781,2.571533203,-1.252441406,1.483154297,0,0.00131146,-4.17E-04,3.53E-04,-2.63E-04,-2.93E-04,1.68E-04,-9.78E-05,5.40E-04,0,26.01027537,-1.84589051,6.021772843,-7.981155204,-5.832607204,3.286146679,-0.788190163,11.82285244,0,48.36721773,-3.432512226,11.19774374,-14.84129891,-10.84598216,6.110730072,-1.465673265,21.98509897,0,0.005095234,-3.62E-04,0.001179624,-0.001563454,-0.001142568,6.44E-04,-1.54E-04,0.002316016,0,0.216223967,-0.015344927,0.050059125,-0.066347511,-0.048486587,0.027317807,-0.006552241,0.098283622,0,1.174532023,-0.083353885,0.271921959,-0.360400735,-0.263379908,0.148390759,-0.035591879,0.533878192,0,0.152099609,-0.101318359,0.054410807,-0.011281708,-0.035284133,0.021978916,-0.023193359,0.054931641,0,-0.317872579,0.269037506,-0.200392398,-0.223144205,0.127911077,-0.074557047,0.411860671,0,-0.070967742,0.231515152,-0.30684624,-0.224242424,0.126340326,-0.03030303,0.454545455,0,-0.070967742,0.231515152,-0.30684624,-0.224242424,0.126340326,-0.03030303,0.454545455,0,-0.070967742,0.231515152,-0.30684624,-0.224242424,0.126340326,-0.03030303,0.454545455,0,-0.070967742,0.231515152,-0.30684624,-0.224242424,0.126340326,-0.03030303,0.454545455,0,-0.070967742,0.231515152,-0.30684624,-0.224242424,0.126340326,-0.03030303,0.454545455,0,-0.666131621,0.357731407,-0.074173157,-0.231980433,0.144503437,-0.152487961,0.361155698,0,1.853292003,0.721568783,1.450112466,1.236570519,0.624667043,0.90551829,1.03E-04,0,1.6,0.976969697,1.614365881,1.180952381,0.578088578,0.751515152,0,0,1.6,0.976969697,1.614365881,1.180952381,0.578088578,0.751515152,0,0,1.6,0.976969697,1.614365881,1.180952381,0.578088578,0.751515152,0,0,1.6,0.976969697,1.614365881,1.180952381,0.578088578,0.751515152,0,0,1.6,0.976969697,1.614365881,1.180952381,0.578088578,0.751515152,0,0,2.272873194,0.451150348,1.388343935,1.298478942,0.556282669,1.06153023,0,0,47.7611465,23.88057325,33.86571463,47.7611465,4.77611465,23.88057325,2.84E-14,0.175721461,0.017572146,-1.738855147,85.13587462,8.513587462,4.444248505,47.7611465,23.88057325,33.86571463,47.7611465,4.77611465,23.88057325,2.84E-14,0.175721461,0.017572146,-1.738855147,85.13587462,8.513587462,4.444248505,47.7611465,23.88057325,33.86571463,47.7611465,4.77611465,23.88057325,2.84E-14,0.175721461,0.017572146,-1.738855147,85.13587462,8.513587462,4.444248505,47.7611465,23.88057325,33.86571463,47.7611465,4.77611465,23.88057325,2.84E-14,0.175721461,0.017572146,-1.738855147,85.13587462,8.513587462,4.444248505,47.7611465,23.88057325,33.86571463,47.7611465,4.77611465,23.88057325,2.84E-14,0.175721461,0.017572146,-1.738855147,85.13587462,8.513587462,4.444248505,47.7611465,23.88057325,33.86571463,47.7611465,4.77611465,23.88057325,2.84E-14,0.175721461,0.017572146,-1.738855147,85.13587462,8.513587462,4.444248505,69.32808838,34.47237752,50.60975522,69.02142172,6.902142172,34.47237752,-0.383333333,0.111265474,0.011126547,-2.195836277,178.0017875,17.80017875,5.181793592,0,11.89,12.11015511,-0.156895477,0.064900215,5.519964112,10.47137978,9,31,31,31,9,0,0,0,0,0,24.050554,3.685071693,3.196666466,2.891796355,2.333552793,2.333552793,2.333552793,2.213145161,1.429638317,1.994564757,1.719985551,1.534928325,1.249629723,1.249629723,1.249629723,1.118952924,0.652214448,3.704150606,3.232469454,2.93708943,2.405454588,2.405454588,2.405454588,2.28286354,1.530272279,1.945750671,1.645262558,1.44607489,1.134540686,1.134540686,1.134540686,1.003759176,0.506874093,3.791083823,3.389740161,3.13433507,2.704236987,2.704236987,2.704236987,2.575785007,1.941945892,1.809042314,1.420985088,1.173087786,0.76031856,0.76031856,0.76031856,0.631234411,0.017565838,3.718367496,3.258858201,2.970400226,2.457539916,2.457539916,2.457539916,2.333575934,1.602916872,1.915268849,1.59724586,1.388423669,1.058262671,1.058262671,1.058262671,0.927542559,0.409265285,3.835249069,3.465814772,3.228395735,2.838982085,2.838982085,2.838982085,2.709206945,2.122631297,1.768581563,1.34998386,1.08479689,0.631337262,0.631337262,0.631337262,0.503902183,0.157210936,3.662363318,3.280384242,3.055352567,2.612600818,2.612600818,2.612600818,2.406744922,1.663270873,1.960696011,1.557664416,1.286237413,0.898315104,0.898315104,0.898315104,0.82543545,0.310394483,0,0,0,0,0,6,2,0,2,0,0,0,0,0,0,0,0,0,0,2.207106781,0.426776695,1.810660172,1.133883476,2.207106781,0.426776695,1.810660172,1.133883476,4.340990258,2.957106781,2.125,4.340990258,2.957106781,2.125,8.414213562,4.310660172,4.883883476,2.905330086,1,0.375,0,0,0.841421356,0.478962241,0.34884882,0.22348693,0.166666667,0.125,0,0,8.414213562,4.310660172,4.883883476,2.905330086,1,0.375,0,0,0.841421356,0.478962241,0.34884882,0.22348693,0.166666667,0.125,0,0,15.96010584,30.76620539,28.98039216,29.36,18.7840994,246.5681114,0.498753308,0.961443918,0.905637255,0.9175,0.587003106,7.705253481,3.8588,48.144,23.88057325,33.86571463,47.7611465,4.77611465,23.88057325,0.175721461,0.017572146,-1.738855147,85.13587462,8.513587462,4.444248505,70,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,6,0,2,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,13.93895833,0,2.625763889,0,0,0,0,0,0,0,0,0,0.935277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.257430556,0,1.295902778,0,0,0,0,0,0,0,0,0,0.447430556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.357638889,0,1.329861111,0,0,0,0,0,0,0,0,0,0.487847222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.5,1.75,0.2,2.357638889,0,0.447430556,7.51639125,0.802569444,0.357638889,3.877916667,0.802569444,0.357638889,3.877916667,5,0.5,0,0,0.425,0.7,0.425,0.425,0.7,0,0,0,0,0.71429,0,0,0.6,0,0.2,4.5,0.45,4.5,0.45,0,0,-4.5,-0.45,0,0,14.19323,1.41932,14.19323,0,0,4.31066,0.43107,4.31066,0,0,0.60334,0.06033,0.60334,0.06033,0,9,0,0,0,0,0,0,1,0.896038233,1.324460293,2.041615922,2.683964564,3.139097656,2.740507421,28.67322344,42.38272939,65.3317095,85.88686606,100.451125,87.69623748,0.179207647,0.264892059,0.408323184,0.536792913,0.627819531,0.548101484,4.103961767,3.675539707,2.958384078,2.316035436,1.860902344,2.259492579,0.180864499,0.2673411,0.412098309,0.541755796,0.633623994,0.55316892,6.667318507,11.80838324,15.24489004,17.55989927,18.01859379,13.23551098,39.63994499,30.47759989,27.14547142,23.09678058,22.7601496,22.71052538,10,2.93877551,2.650887574,10,0,6,2.56,1.5176,4.84060255,4.514485126,0,7.308366373,1,0,2.149139864,0,0,1,0,0,0,0,0,0,0,0,0,0.003,0.187,0.158,-0.031,-0.002,3.94,14,13,6,3,0,0,0,0,0,55,2.302585093,2.708050201,2.63905733,1.945910149,1.386294361,0,0,0,0,0,4.025351691,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,9,1,1,3,5,0.666666667,4.5,2.444444444,0.625,0.24,0,0,0,0,0,0,0.5,0.174603175,0.048076923,0.04,0,0,0,0,0,0,0.762680098,23.88057325,33.86571463,47.7611465,4.77611465,23.88057325,0.175721461,0.017572146,-1.738855147,85.13587462,8.513587462,4.444248505,0,181.516305,4.321928095,3.850147602,4.615120517,5.493061443,6.315358002,7.178545484,8.019283793,8.875846178,9.723104116,10.57681461,83.64728174,2.944438979,0,4.317488114,0,5.888877958,0,7.540621529,0,9.223157876,9.431321587,142.1721507,4.44287971,18.03090165,1.803090165,0,0,0,115,13,5.982,46,1.232032258,2.123799733,2.964030596,3.505057464,4.068560661,5.320690152,6.138480966,0,0,0,73.3510472,95.6481019,101.4896616,55.0120689,38.24406441,27.05873751,6.237089524,0,0,0,277.889902,371.9016166,473.9526789,348.6067838,285.6338871,328.6992288,190.8069735,0,0,0,8.95613516,15.11864085,21.18453703,24.4655715,27.94418367,36.52614544,41.24116338,0,0,0,2.112699944,2.92963371,3.95462057,3.303581441,2.968529868,3.67157633,2.729247854,0,0,0,177.010611,329.2938716,450.7367657,576.693972,704.832471,921.8171816,1135.113487,0,0,0,2.548856855,3.604014064,5.60352265,5.507210241,5.441531004,7.272951349,6.138480966,0,0,0,0.438284758,0.613031029,0.834298335,0.713133125,0.651996214,0.813469812,0.628580451,0,0,0,400.3869516,211.5066052,9.510148097,151.5196027,-80.04106194,-9.167202955,248.8673489,291.5476671,18.67735105,0.725461491,0.383229015,0.017231446,0.274538509,-0.145026475,-0.016610064,220.9761829,116.7318817,5.248713068,83.62466186,-44.1751867,-5.059439396,0.051209152,0.123537081,0.623068232,8.042104418,551.9065544,0,1,0,558.7341223,23.63755745,8.236355148,771.8489161,27.78216903,9.17298675,1126.102899,33.55745668,10.4038167,1.499478194,1.243862349,631.5084065,605.0143385,249.526382,1.04379081,2.530828209,2.424650787,4.493549298,4.466158665,7.63628977,0.709811572,6.135812176,8.536858558,3.885038297,48.09540059,7.509458453,11.20679387,16.66887066,28.44076326,13.32699959,7.283448613,6.160632219,0.747575042,2.359766293,1.267677842,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.514936198,8.536278346,0.205439764,15.80344292,4.016058066,0.229708513,1.220603289,1.512856686,2.246382751,0.174340129,0.14036759,0.012978944,0.133620008,0.008928359,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.662276818,8.536317983,0.742654393,20.89730617,4.281972946,1.209767596,3.561339821,5.298741099,3.415899431,0.850231258,0.700650487,0.062150911,0.473789074,0.093040381,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,5.791706176,8.536795162,3.584115833,45.58870395,7.137403664,10.08882673,15.43567344,26.18707583,12.262242,6.573983578,5.555553958,0.666952824,2.183070706,1.129478135,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.449890184,8.536368589,1.174937788,24.83875612,4.597287013,2.25684509,5.409455134,8.405567,4.543054564,1.544391007,1.283782807,0.125828037,0.741223166,0.202096141,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,7.409881809,8.537124935,5.085125071,57.97812508,9.066624236,15.8524746,21.56124026,37.4722902,17.7080574,10.22166916,8.669517606,1.086561598,3.059875882,1.848788995,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.824921876,6.562090487,1.53526483,30.61768862,5.75080019,4.282942645,8.385133855,13.79632426,6.561229203,2.801399475,2.422208782,0.251885168,1.267467268,0.413935622,1.17E-06,2.61E-33,1.12E-81,9.26E-152,1.48E-243,0,0,0,0,0,0,0,0,0,0,0,4.249048998,1.549222616,1.349596884,0.5944498,0.216739104,0.434330949,0.46905081,0.535626668,7.147868498,14.40805211,30.43994279,0.3916747,1.439008427,3.471563789,0.970621954,0.784270207,0.664229034,0.185713218,0.291472373,0.185419697,0.180877894,5.226455951,6.853449962,14.722564,0.496343552,0.657769964,3.789628986,1.20755265,1.015637549,0.630258265,0.200829696,0.346512249,0.286159011,0.303341308,6.012819185,9.651501833,20.31205773,0.445387397,0.936012569,4.230710149,1.535595745,1.336270976,0.595658481,0.216202622,0.430637082,0.460911306,0.525101344,7.10257687,14.20200771,29.98588345,0.393487721,1.416649732,3.927385555,1.310068047,1.11580241,0.618168943,0.206204196,0.371812715,0.336387072,0.366124379,6.353256012,10.98910568,23.08332389,0.427253415,1.074324166,4.306179675,1.591668229,1.391108365,0.590781384,0.218367098,0.445938804,0.494852238,0.569083485,7.288956268,15.05855493,31.88218097,0.386172077,1.509874526,4.239106796,1.53988343,1.340473904,0.595424981,0.216292041,0.432299857,0.463411214,0.528409705,7.119464129,14.2743159,30.14403216,0.393137472,1.424120776 +UMLS0228,L,"2,2,3,3-Tetramethylhexane",CCCC(C)(C)C(C)(C)C,26057,,"Sandia, UML","[1], [4]",C10H22,PubChem,,20.4,0,2.0212,4.08524944,38.0151,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1323.6122,1862.405843,1527.491119,647.003282,121.24224,6.096384,0,0,3823.307636,4994.447843,7462.645179,8063.3099,5166.78684,1663.902797,186.5024666,0,0,154.382624,159.970976,299.999756,412.190332,489.033416,218.184192,40.310784,0,0,28.53578067,37.90082034,59.17739096,70.29267716,53.64830697,19.5790642,2.667677429,0,0,3603.201977,3158.070517,6427.692835,8982.966365,12186.23399,5663.00403,1109.505912,0,0,38.3125,46,74.125,103,96.75,40,6,0,0,53.10626655,60.16419091,44.34299626,26.33605378,9.112722282,3.78882,1.016064,0,0,173.7867107,227.0203565,177.6820281,139.0225845,72.77164563,51.99696242,31.08374443,0,0,7.017392,7.271408,7.142851333,7.106729862,6.887794592,6.818256,6.718464,0,0,1.297080939,1.722764561,1.408985499,1.21194271,0.755609957,0.611845756,0.444612905,0,0,163.781908,143.5486599,153.0403056,154.8787304,171.6370984,176.9688759,184.917652,0,0,1.741477273,2.090909091,1.764880952,1.775862069,1.362676056,1.25,1,0,0,0.042557751,-0.003936406,-0.004238782,-0.026878995,0.001263191,0.004487074,0.008025043,0,0,616.3360458,5.47E-13,67.03655044,-689.3758694,58.03164068,160.0872846,96.05237078,0,0,1146.103196,1.85E-13,124.6573281,-1281.923867,107.9123139,297.6891417,178.613485,0,0,0.120736,1.75E-15,0.013132,-0.135044,0.011368,0.03136,0.018816,0,0,5.123614541,1.03E-14,0.557276257,-5.730796134,0.482418252,1.330808972,0.798485383,0,0,27.8315555,-2.31E-14,3.027133472,-31.12977556,2.620503603,7.228975456,4.337385273,0,0,3.309659091,-0.985795455,0.937241736,-2.753873967,0.642691116,0.095041322,0.409865702,0,0,0.001934443,-1.79E-04,-1.01E-04,-4.63E-04,1.78E-05,1.40E-04,0.001337507,0,0,28.01527481,2.49E-14,1.596108344,-11.88579085,0.817347052,5.002727645,16.00872846,0,0,52.0955998,8.40E-15,2.968031621,-22.10213563,1.519891745,9.302785679,29.76891417,0,0,0.005488,7.96E-17,3.13E-04,-0.002328345,1.60E-04,9.80E-04,0.003136,0,0,0.23289157,4.67E-16,0.013268482,-0.09880683,0.006794623,0.04158778,0.133080897,0,0,1.265070705,-1.05E-15,0.072074606,-0.536720268,0.036908501,0.225905483,0.722897546,0,0,0.15043905,-0.044808884,0.022315279,-0.047480586,0.009051988,0.002970041,0.06831095,0,0,-0.092495628,-0.052171796,-0.239568128,0.009197178,0.072486518,0.691417078,0,0,8.88E-16,0.056972789,-0.424261084,0.02917505,0.178571429,0.571428571,0,0,1.61E-16,0.056972789,-0.424261084,0.02917505,0.178571429,0.571428571,0,0,1.45E-14,0.056972789,-0.424261084,0.02917505,0.178571429,0.571428571,0,0,2.00E-15,0.056972789,-0.424261084,0.02917505,0.178571429,0.571428571,0,0,-8.30E-16,0.056972789,-0.424261084,0.02917505,0.178571429,0.571428571,0,0,-0.297854077,0.148334355,-0.315613438,0.060170465,0.019742489,0.454077253,0,0,1.315923818,1.05216294,1.283509663,0.767124357,0.853100092,0.275039961,0,0,1.3125,1.080357143,1.493534483,0.75528169,0.515625,0,0,0,1.3125,1.080357143,1.493534483,0.75528169,0.515625,0,0,0,1.3125,1.080357143,1.493534483,0.75528169,0.515625,0,0,0,1.3125,1.080357143,1.493534483,0.75528169,0.515625,0,0,0,1.3125,1.080357143,1.493534483,0.75528169,0.515625,0,0,0,1.622317597,0.793133047,1.43584431,0.751242217,0.793133047,0,0,0,30.41872277,14.64438648,21.67150193,30.41872277,3.802340346,14.64438843,3.55E-15,0.013877346,0.001734668,-3.421998015,63.76552206,7.970690258,3.32417011,30.41872277,14.64438648,21.67150193,30.41872277,3.802340346,14.64438843,3.55E-15,0.013877346,0.001734668,-3.421998015,63.76552206,7.970690258,3.32417011,30.41872277,14.64438648,21.67150193,30.41872277,3.802340346,14.64438843,3.55E-15,0.013877346,0.001734668,-3.421998015,63.76552206,7.970690258,3.32417011,30.41872277,14.64438648,21.67150193,30.41872277,3.802340346,14.64438843,3.55E-15,0.013877346,0.001734668,-3.421998015,63.76552206,7.970690258,3.32417011,30.41872277,14.64438648,21.67150193,30.41872277,3.802340346,14.64438843,3.55E-15,0.013877346,0.001734668,-3.421998015,63.76552206,7.970690258,3.32417011,30.41872277,14.64438648,21.67150193,30.41872277,3.802340346,14.64438843,3.55E-15,0.013877346,0.001734668,-3.421998015,63.76552206,7.970690258,3.32417011,41.64513019,18.85379684,28.33021856,41.58263019,5.197828774,18.85379689,-0.25,0.062029048,0.007753631,-2.224121986,42.7552473,5.344405912,3.004393545,0,11.9,12.10012615,-0.1626036,0.045727622,6.5103125,9.153129026,8,22,21,21,7,1,1,0,0,1,15.304898,3.701405975,3.074060261,2.694635614,2.333552793,2.095829371,1.402929947,0.781504257,0.43899517,2.003119863,1.547081913,1.30148305,1.249629723,0.963455795,0.608062879,0.262618673,0.083923071,3.720715986,3.102863119,2.73590217,2.405454588,2.161465757,1.501307439,0.910174907,0.55032058,1.956657898,1.473684001,1.215171467,1.134540686,0.851471552,0.464166799,0.096114831,0.270913902,3.807186078,3.236096231,2.918361619,2.704236987,2.439539482,1.905896282,1.425957099,0.964951906,1.824784215,1.263832741,0.954716716,0.76031856,0.492550127,0.019521787,0.481883876,0.943918427,3.73502032,3.124457242,2.766404588,2.457539916,2.209351642,1.572477963,1.002696298,0.627964355,1.927512589,1.427328533,1.159558004,1.058262671,0.777644064,0.367568651,0.016902905,0.399277246,3.850330056,3.304320508,3.006878834,2.838982085,2.567277066,2.084195336,1.644806605,1.207644823,1.785018404,1.201397464,0.872125853,0.631337262,0.370985056,0.191798181,0.696157134,1.129631993,3.731279057,3.213847491,2.759802377,2.629038207,2.280670796,1.650508667,1.170235325,0.636603696,1.939630493,1.330233001,1.119144689,0.883583662,0.675762591,0.245524954,0.194621046,0.581818182,0,0,0,2,0,2,3,0,1,0,0,0,0.088388348,0.176776695,0,0,0,0.058925565,0.11785113,1.207106781,0.25,0,0,1.207106781,0.25,0,0,1.207106781,1.457106781,1.207106781,1.09635267,1.158217917,0.823466593,6.035533906,3.707106781,3.724873734,2.207106781,1.508883476,1.030330086,0.353553391,0,0.754441738,0.463388348,0.338624885,0.220710678,0.150888348,0.103033009,0.088388348,0,5.776020882,3.356936695,3.378417363,1.824884584,1.09635267,0.686886724,0.23570226,0,0.72200261,0.419617087,0.307128851,0.182488458,0.109635267,0.068688672,0.058925565,0,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.67889,36.502,29.99704517,41.45422905,59.99409034,7.499261292,29.99704517,0.157950336,0.019743792,-1.476379698,43.07086986,5.383858732,3.010277516,52,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,2,0,3,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.578125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.581388889,0,0,1.275208333,0.580555556,0,0.581388889,0,0,0,0,0,0,0,0,4.659722222,0,3.920138889,0,4.578125,0,0,0,0,0,0,0,0.592013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.282986111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.285069444,0,0,0.225625,0.290277778,0,0.285069444,0,0,0,0,0,0,0,0,2.329861111,0,1.270833333,0,2.282986111,0,0,0,0,0,0,0,0.592013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.295138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.296319444,0,0,0.290277778,0.290277778,0,0.296319444,0,0,0,0,0,0,0,0,2.329861111,0,1.364583333,0,2.295138889,0,0,0,0,0,0,0,0.592013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.75,1.71875,0.296319444,2.329861111,0.043402778,0.592013889,5.329425347,0.657986111,0.329861111,2.475694444,0.657986111,0.329861111,2.475694444,4,0.5,0,0,0.44545,0.7,0.43333,0.43333,0.7,0.01212,0.01212,0,0,0.71429,0,0,0.25,0,0.125,5,0.625,4,0.5,1,0.125,-3,-0.375,0,0,7.58312,0.94789,8.72242,1.1393,0.14241,3.16421,0.39553,3.70711,0.54289,0.06786,0.20689,0.02586,0.29289,0.03661,0.272727273,8,0,0,0,0,0,0,0.75,0.945660305,2.140361164,3.027169118,3.299896391,3.299896391,3.299896391,20.8045267,47.0879456,66.59772061,72.59772061,72.59772061,72.59772061,0.212058483,0.479962773,0.67882398,0.739981386,0.739981386,0.739981386,3.513771314,2.319070455,1.4322625,1.159535227,1.159535227,1.159535227,0.209052139,0.473158362,0.669200322,0.729490703,0.729490703,0.729490703,6.786633838,16.98428097,18.87731686,20.15146687,19.15217823,19.15217823,31.28312609,20.10697888,18.52665107,16.65444051,17.77236397,17.77236397,6.125,2.082644628,1.8,0,2,0,2.34,1.0842,0.5,3.701071725,0,2,6.083643419,0,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.144,0.135,0.298,0.363,3.65,11,10,10,10,4,0,0,0,0,61,2.302585093,2.63905733,2.63905733,2.833213344,2.995732274,2.197224577,0,0,0,0,4.465908119,1.409836066,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,2.5,0.888888889,0.375,0.222222222,0,0,0,0,0,0,0.3125,0.080808081,0.053571429,0.111111111,0,0,0,0,0,0,0.55799062,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,0,131.9314183,4,3.663561646,4.394449155,5.241747015,5.993961427,6.842683282,7.601402335,8.449556543,9.210440367,10.05813811,77.45593988,2.833213344,0,4.110873864,0,5.59471138,0,7.158513997,0,8.750999691,8.981304495,110.1095504,5.004979566,15.45878878,1.932348597,0,0,0,59,7,4.012,38,1.276771826,2.239765072,3.107593439,3.718190168,4.437721623,5.322540479,0,0,0,0,90.7333143,113.7066162,86.6472419,35.81610905,16.98984713,5.408041769,0,0,0,0,322.3706443,436.7156165,447.2622505,280.3095503,232.076401,165.444488,0,0,0,0,9.328462506,16.07666839,22.12545347,25.64915564,30.26386063,35.7592966,0,0,0,0,2.376007862,3.385151491,3.863825434,2.881716655,2.725823364,2.366470183,0,0,0,0,180.50628,337.2787613,478.2887137,635.1227197,784.8337206,984.2316882,0,0,0,0,2.73407165,4.129274872,5.62369556,5.165705128,5.563031418,5.322540479,0,0,0,0,0.490118016,0.705617653,0.819825944,0.630986166,0.609265322,0.545028145,0,0,0,0,277.1007766,120.1362906,9.032280662,60.97893518,-26.43725206,-4.567420701,216.1218414,146.5735427,13.59970136,0.819631486,0.355349009,0.026716423,0.180368514,-0.07819828,-0.013509893,93.6821507,40.6156425,3.053630843,20.61574083,-8.937898557,-1.544152274,0.131272656,0.202739484,3.856538597,5.527890892,338.0797118,0,1,0,485.3792168,22.03132354,7.8588752,621.4223465,24.92834424,8.533534635,831.6015789,28.83750299,9.403837195,1.556659839,1.554050303,350.4959186,306.9700083,163.5858945,1.141792061,2.142580322,1.876506585,3.85296323,3.995698619,6.281368163,0.572032519,4.068069812,5.159307693,5.050433032,17.10243962,11.49021765,13.68727211,10.93508635,9.05688011,1.062494499,2.630180134,1.414137644,0.008396133,3.73E-23,3.20E-65,5.28E-129,1.68E-214,1.033E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0.341538112,4.167431911,0.43384897,6.419183829,4.166568337,2.371175584,0.458570876,1.498764681,0.060582576,0.057613249,0.00995989,5.91E-05,2.63E-25,2.25E-67,3.72E-131,1.19E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,0,1.102202679,4.233711431,1.213659016,8.062008726,5.257232817,4.196619341,1.711436227,2.637058021,0.214403561,0.293466707,0.10378971,6.16E-04,2.74E-24,2.35E-66,3.88E-130,1.24E-215,7.4E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,3.839934212,5.050408566,4.710310207,16.25814294,10.89885937,12.82313959,9.980420397,8.451086374,0.983225514,2.370358017,1.259971184,0.007480803,3.32E-23,2.85E-65,4.70E-129,1.50E-214,9.2E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,1.624375058,4.319645936,1.797233632,9.349456909,6.125969532,5.593561439,2.834446383,3.538558947,0.335047932,0.541260673,0.225445112,0.001338531,5.95E-24,5.09E-66,8.42E-130,2.68E-215,1.63E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,4.912753255,5.617213735,6.375040393,20.44453363,13.842128,17.08134273,14.82551464,11.4623311,1.376353053,3.708374123,2.062386841,0.012244971,5.44E-23,4.66E-65,7.70E-129,2.45E-214,1.507E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,2.471048682,3.785168866,2.829815155,11.10475888,7.334163931,8.052027058,4.64071623,5.601190962,0.593470729,1.062461003,0.478703137,0.002842195,1.26E-23,1.08E-65,1.79E-129,5.70E-215,3.5E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,2.91104785,1.534470236,1.076380767,0.527182393,0.277888146,0.454044262,0.469054709,0.416335036,5.521898852,9.251986446,19.58198807,0.290773589,1.339434007,2.272608994,0.941929778,0.54596223,0.604336761,0.250479864,0.276619503,0.175599391,0.107742267,3.760501001,3.895654839,8.824863381,0.406505141,0.559961161,2.514859335,1.168056351,0.748321559,0.567529833,0.263595986,0.338560503,0.270855227,0.201972711,4.431237244,5.693502624,12.32293251,0.35129475,0.811388442,2.894051601,1.518838192,1.062374486,0.528568386,0.277399978,0.448721948,0.459500986,0.405634678,5.475264279,9.083737629,19.22877106,0.292852578,1.313857612,2.627497033,1.272660405,0.841935798,0.554079581,0.268375239,0.369583392,0.321927626,0.255399405,4.742093236,6.627593603,14.18504558,0.331119371,0.946910424,2.964680808,1.583747589,1.120541491,0.522966406,0.279371318,0.471058629,0.499805726,0.450973178,5.668969888,9.792008819,20.72226398,0.284449609,1.421837532,2.906781131,1.517918007,1.065046366,0.529492875,0.276500615,0.452577937,0.459193843,0.407754054,5.489745503,9.124765155,19.31376726,0.294239313,1.319525834 +UMLS0229,L,"4,4-dimethylcyclohexene",CC1(CCC=CC1)C,26445,,UML,[1],C8H14,PubChem,,16.4,0,0.4036,0.16289296,33.9281,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1311.595663,1090.715309,849.680164,646.827051,450.070322,143.338608,15.24096,3885.475125,4800.404174,6060.218294,6004.453783,4921.312267,3728.011456,2721.213111,1572.940224,466.2561665,167.819552,166.665724,297.509884,365.04626,374.068624,270.87294,207.98804,145.478592,100.77696,29.42500648,37.33900896,51.13810539,54.24031728,46.76487335,35.07566706,26.0541382,16.69511646,6.669193573,3973.037281,3337.521256,6596.59581,8403.043401,9117.157939,6528.696872,5049.741717,3533.524545,2773.76478,44.77777778,50.58333333,72.66666667,87.58333333,78.33333333,60.16666667,48.5,35,15,48.76541633,52.3287937,31.22846817,20.9752944,15.73481785,16.585309,15.00234407,6.825648,1.016064,161.8947969,208.713225,144.2909118,115.4702651,91.13541236,95.59003733,90.70710369,74.90191545,31.08374443,6.992481333,7.246335826,7.083568667,7.020120385,6.927196741,6.94546,6.932934667,6.927552,6.718464,1.226041937,1.623435172,1.217573938,1.043083025,0.866016173,0.899376078,0.868471273,0.795005546,0.444612905,165.54322,145.1096198,157.061805,161.5969885,168.8362581,167.4024839,168.3247239,168.2630736,184.917652,1.865740741,2.199275362,1.73015873,1.684294872,1.450617284,1.542735043,1.616666667,1.666666667,1,0.047606822,-0.004326056,-0.012636488,-0.020972032,0.011109566,0.00223103,7.24E-05,-0.012320079,0.013038287,645.6853813,-53.80711511,-121.066009,-269.0355756,80.71067267,-2.17E-13,-2.17E-13,-161.4213453,201.7766817,1200.679538,-100.0566282,-225.1274134,-500.283141,150.0849423,1.42E-13,1.42E-13,-300.1698846,375.2123557,0.126485333,-0.010540444,-0.023716,-0.052702222,0.015810667,-7.38E-16,-7.24E-16,-0.031621333,0.039526667,5.367596186,-0.447299682,-1.006424285,-2.236498411,0.670949523,-2.69E-15,-2.69E-15,-1.341899046,1.677373808,29.15686767,-2.429738973,-5.466912688,-12.14869486,3.644608459,2.73E-14,2.73E-14,-7.289216918,9.111521147,5.592592593,-1.308641975,0.898148148,-2.570987654,0.388888889,-0.101851852,1.009259259,-2.268518519,1.157407407,0.001983618,-1.88E-04,-3.01E-04,-4.03E-04,2.06E-04,5.72E-05,2.41E-06,-5.87E-04,8.69E-04,26.90355756,-2.339439787,-2.882524024,-5.173761068,1.494642086,-5.56E-15,-7.22E-15,-7.68673073,13.45177878,50.0283141,-4.350288182,-5.36017651,-9.620829634,2.779350783,3.64E-15,4.74E-15,-14.29380403,25.01415705,0.005270222,-4.58E-04,-5.65E-04,-0.001013504,2.93E-04,-1.89E-17,-2.41E-17,-0.001505778,0.002635111,0.223649841,-0.019447812,-0.023962483,-0.043009585,0.012424991,-6.90E-17,-8.97E-17,-0.063899955,0.111824921,1.214869486,-0.105640825,-0.130164588,-0.233628747,0.067492749,7.00E-16,9.10E-16,-0.347105568,0.607434743,0.233024691,-0.056897477,0.02138448,-0.04944207,0.007201646,-0.002611586,0.033641975,-0.108024691,0.077160494,-0.094821409,-0.151676793,-0.203319586,0.103715914,0.02883918,0.001215969,-0.295757824,0.438198937,-0.086956522,-0.107142857,-0.192307692,0.055555556,-2.07E-16,-2.69E-16,-0.285714286,0.5,-0.086956522,-0.107142857,-0.192307692,0.055555556,7.28E-17,9.47E-17,-0.285714286,0.5,-0.086956522,-0.107142857,-0.192307692,0.055555556,-3.59E-15,-4.58E-15,-0.285714286,0.5,-0.086956522,-0.107142857,-0.192307692,0.055555556,-3.09E-16,-4.01E-16,-0.285714286,0.5,-0.086956522,-0.107142857,-0.192307692,0.055555556,5.76E-16,7.49E-16,-0.285714286,0.5,-0.244169306,0.091769158,-0.212175242,0.030905077,-0.011207336,0.144370861,-0.463576159,0.331125828,1.42516029,1.204727669,1.140629057,0.753005874,0.862985534,0.989666076,1.329239531,0.092484987,1.5,1.232142857,1.202524038,0.798611111,0.884615385,0.8625,1.129464286,0,1.5,1.232142857,1.202524038,0.798611111,0.884615385,0.8625,1.129464286,0,1.5,1.232142857,1.202524038,0.798611111,0.884615385,0.8625,1.129464286,0,1.5,1.232142857,1.202524038,0.798611111,0.884615385,0.8625,1.129464286,0,1.5,1.232142857,1.202524038,0.798611111,0.884615385,0.8625,1.129464286,0,1.624172185,0.618791391,1.331316862,0.710816777,0.922694855,0.931043046,1.958372753,0,39.11172033,19.55586017,31.45134926,39.11172033,4.888965041,19.55586018,-7.11E-15,0.119590444,0.014948806,-1.698945869,35.74914687,4.468643358,2.861221124,39.11172033,19.55586017,31.45134926,39.11172033,4.888965041,19.55586018,-7.11E-15,0.119590444,0.014948806,-1.698945869,35.74914687,4.468643358,2.861221124,39.11172033,19.55586017,31.45134926,39.11172033,4.888965041,19.55586018,-7.11E-15,0.119590444,0.014948806,-1.698945869,35.74914687,4.468643358,2.861221124,39.11172033,19.55586017,31.45134926,39.11172033,4.888965041,19.55586018,-7.11E-15,0.119590444,0.014948806,-1.698945869,35.74914687,4.468643358,2.861221124,39.11172033,19.55586017,31.45134926,39.11172033,4.888965041,19.55586018,-7.11E-15,0.119590444,0.014948806,-1.698945869,35.74914687,4.468643358,2.861221124,39.11172033,19.55586017,31.45134926,39.11172033,4.888965041,19.55586018,-7.11E-15,0.119590444,0.014948806,-1.698945869,35.74914687,4.468643358,2.861221124,52.80344388,26.18505528,43.14011896,52.47844388,6.559805486,26.18505528,-0.433333333,0.159749533,0.019968692,-1.46731849,40.15791586,5.019739483,2.954255663,0,11.89,12.11011416,-0.173302395,0.049687067,5.13829153,7.665592601,7,23,22,22,6,1,1,0,0,1,17.491312,3.539105243,3.258370555,2.75516202,2.244829288,2.113690229,1.557472295,1.181034084,0.424404601,1.908875758,1.724610087,1.425824394,1.138280193,1.019916385,0.72464196,0.544458046,0.083923071,3.562541743,3.290012753,2.802551637,2.314357344,2.181915347,1.652735799,1.30063981,0.536926659,1.852197606,1.656997447,1.333508773,1.025523799,0.903077781,0.584444905,0.389533465,0.270913902,3.668413336,3.428986552,3.008710997,2.604787935,2.472117559,2.04345003,1.772732791,0.963715902,1.690070444,1.456664232,1.049161401,0.659504785,0.527578272,0.115504894,0.142997915,0.943918427,3.57996308,3.31332112,2.837395018,2.36482508,2.231768889,1.721536562,1.385840592,0.616167369,1.816480241,1.613804056,1.273548747,0.950827409,0.825924162,0.490519126,0.284773249,0.399277246,3.721530429,3.496452411,3.106857167,2.736329812,2.605789904,2.215796659,1.973080179,1.207644823,1.641167714,1.393818373,0.956974617,0.533742098,0.400440609,0.050878183,0.338785877,1.134156552,3.649270241,3.316572821,2.861491394,2.581905657,2.275935088,1.753404805,1.436946794,0.676941018,1.855165481,1.563612028,1.213388294,0.844104109,0.642486147,0.413793524,0.201736417,0.545454545,0,0,1,0,1,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.25,0,0,0,0.288675135,0.204124145,0.144337567,0.176776695,0.125,0.088388348,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,6.035533906,3.414213562,2.414213562,1.207106781,0.676776695,0.338388348,0.213388348,0,0.754441738,0.487744795,0.344887652,0.241421356,0.169194174,0.112796116,0.106694174,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,5,2,0,1,0,0,0,0,0,0,0,0,2,1,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.1449452,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.356772959,0,0,0,1.188296485,0.580555556,0,0.356772959,0,0,0,0,0,0,0,0,4.313573318,3.826935941,5.208148148,0,0,0,0,0,0,1.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.356772959,0,0,0,0.212046485,0.290277778,0,0.356772959,0,0,0,0,0,0,0,0,2.092916667,3.826935941,1.216111111,0,0,0,0,0,0,1.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.826935941,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.356772959,0,0,0,0.290277778,0.290277778,0,0.356772959,0,0,0,0,0,0,0,0,2.220656652,3.826935941,1.354027778,0,0,0,0,0,0,1.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66666667,1.833333333,0.356772959,3.826935941,0.064652778,1.216111111,5.404917405,0.348657407,0.826935941,2.281018519,0.348657407,0.826935941,2.281018519,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.375,0.125,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.0764,0.88455,8.40872,1.33232,0.16654,3.22875,0.40359,3.77005,0.5413,0.06766,0.14395,0.01799,0.14395,0.01799,0,7,0,0,0,0,0,0,0.75,0.918295834,2.082551817,3.375814584,3.573934896,3.371653522,3.378733731,22.03910002,49.98124361,81.01955001,85.77443751,80.91968454,81.08960954,0.200284263,0.45421349,0.73627965,0.77949054,0.735372104,0.736916328,3.666666667,2.502410684,1.209147917,1.011027604,1.213308978,1.20622877,0.200284263,0.45421349,0.73627965,0.77949054,0.735372104,0.736916328,6.73287657,16.72064472,20.20180045,18.22369792,18.01983369,18.10479619,31.59900002,19.42915877,15.6149125,17.71867188,18.35350563,13.89598688,8,5.142857143,7.2,8,2,7,2.34,1.1928,0.721124785,4.146039495,1.754410643,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.104,0.088,0.143,0.175,3.636,7,5,4,3,2,0,0,0,0,36,2.197224577,2.302585093,1.945910149,1.791759469,1.609437912,1.386294361,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,0,144.287877,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,112.1252005,4.671883355,14.66595917,1.833244896,0,0,0,79,5,4.019,28,1.226391304,2.124982577,2.913682593,3.59020099,4.707679399,5.788273043,6.813690802,7.783973498,0,0,74.73814722,75.24462153,70.57482386,70.69443806,92.68523106,99.9600607,49.91676879,7.909015248,0,0,280.6431588,331.8074668,361.725961,372.6521964,498.5821151,568.0757762,536.069863,241.9550429,0,0,8.920641989,15.10881206,20.5047046,24.99277592,32.83473137,40.24967507,47.32488478,52.29634572,0,0,2.124868553,2.740518407,3.188233503,3.401522377,4.551334499,5.306566586,5.622523323,3.460855068,0,0,175.8569114,329.7120941,467.3281188,597.0382083,777.7649404,965.3525927,1136.72008,1439.394103,0,0,2.764554348,3.827420194,5.025094693,5.423909313,7.572205855,9.673019565,11.67702254,7.783973498,0,0,0.4404825,0.577800983,0.680027566,0.731117061,0.977737305,1.144570415,1.231119261,0.797078886,0,0,406.4926369,194.8271203,11.88978728,166.6149554,-79.85658046,-10.87166135,239.8776815,274.6837008,22.76144863,0.709278052,0.339948594,0.02074617,0.290721948,-0.139339596,-0.018969669,232.9640165,111.6569019,6.814127364,95.48829596,-45.76641256,-6.23063166,0.111481197,0.208038405,3.511858013,4.344238128,573.1075924,0,1,0,457.3961477,21.38682182,7.704849633,612.8133496,24.75506715,8.493944243,723.0906222,26.8903444,8.975615566,2.070431731,2.070431731,789.3906172,732.0631161,77.38613036,1.078309506,10.20067309,9.459874951,4.460178277,4.466158665,8.866384695,0.985237283,4.625737202,5.862558327,5.36475223,20.27076062,6.193000528,3.953833738,4.663894636,9.834924744,10.10135279,0.668025582,6.112125077,3.605516397,5.130744551,2.052163217,4.104155385,0.091253426,0.335545995,7.34E-18,3.09E-56,2.52E-116,3.95E-198,1.20E-301,0,0,0,0,0,0,0,0,0.388216777,5.862268046,0.237110247,6.672690133,0.057166125,0.186886709,0.588322829,0.345612278,3.85198445,0.032876877,0.080997035,1.224221614,0.268240324,1.029277365,0.056695188,6.46E-04,0.002363278,5.17E-20,2.18E-58,1.77E-118,2.78E-200,8.42E-304,0,0,0,0,0,0,0,0,1.253185036,5.862288025,0.905849138,7.803277949,0.488791452,0.698619526,1.302915944,1.430399237,4.846228275,0.121408404,0.543759597,1.668980999,0.972887867,1.237625798,0.372617835,0.006705108,0.024627178,5.38E-19,2.27E-57,1.85E-117,2.90E-199,8.77E-303,0,0,0,0,0,0,0,0,4.366319238,5.862526662,4.917145322,18.85632583,5.526986932,3.632241687,4.372887835,8.952521357,9.619226073,0.614596802,5.47109784,3.445119836,4.731218437,1.989385673,3.675863129,0.081307202,0.298965441,6.54E-18,2.76E-56,2.24E-116,3.52E-198,1.06E-301,0,0,0,0,0,0,0,0,1.84695863,5.862313401,1.477130333,9.067845864,1.028809914,1.126270537,1.828295851,2.428102553,5.612294666,0.194390672,1.089561478,1.986561251,1.542087776,1.38078241,0.740992695,0.014557089,0.053493521,1.17E-18,4.93E-57,4.01E-117,6.30E-199,1.91E-302,0,0,0,0,0,0,0,0,5.586245157,5.862691341,7.17384129,26.16855998,8.988656291,5.247847869,5.788485618,13.44436894,11.99947672,0.88236355,8.794175591,4.215987353,6.725649645,2.284778705,5.894883972,0.133074868,0.489362299,1.07E-17,4.51E-56,3.67E-116,5.76E-198,1.74E-301,0,0,0,0,0,0,0,0,2.63514794,4.589803291,2.07057546,10.96531918,1.911995613,1.693012552,2.211604445,3.484312241,7.059796417,0.253339235,1.892996826,3.261822986,2.748035826,1.777017358,1.32861379,0.027161262,0.099831866,2.18E-18,9.21E-57,7.49E-117,1.18E-198,3.56E-302,0,0,0,0,0,0,0,0,7.554660235,1.134511903,0.414643513,0.829834492,0.124619385,0.558467684,0.483971085,0.499982783,9.103815651,12.17376082,24.83142463,0.744751738,1.542421553,6.465788702,0.601925496,0.089390603,0.903408415,0.084101814,0.409448378,0.1386788,0.02323748,7.1571048,4.5237103,12.02871645,0.855112622,0.571364658,6.898007479,0.813697182,0.218570501,0.869832047,0.102606425,0.465814447,0.251675374,0.138927556,7.930275162,7.298440401,16.45552758,0.804748071,0.856417377,7.527679316,1.121350092,0.406591167,0.831271502,0.123829182,0.554493733,0.473019583,0.480752088,9.055620575,11.95778286,24.44550611,0.746907253,1.508265404,7.09077347,0.907984247,0.276151299,0.856900475,0.109727399,0.492135206,0.31239214,0.221768307,8.274909016,8.647177942,18.70003479,0.785350713,1.026295653,7.639137296,1.175711013,0.439853257,0.825433132,0.127039322,0.5710027,0.519027486,0.562627459,9.254701566,12.85865759,26.06386504,0.738149697,1.652657645,7.548807956,1.127650747,0.406481239,0.831097421,0.124150413,0.557668533,0.479769172,0.480492165,9.082939941,12.03923661,24.58231514,0.746646131,1.51792987 +UMLS0230,L,2-Methyl-1-Heptene,CCCCCC(=C)C,27519,,"Sandia, UML",[1],C8H16,PubChem,,3.9,0,0.7767,0.60326289,39.5502,29.17586,0,0,29,9,20,0,9,0,0,0,0,0,0,0,0,0,1318.698369,1396.254728,1918.962707,2015.824282,1613.513839,557.268768,64.012032,0,0,4433.327004,5682.867541,8170.2616,10010.39328,9672.354909,6310.95762,1958.275899,0,0,202.233924,202.676768,382.217996,510.311656,689.244028,621.426816,423.263232,0,0,33.9923581,44.5820862,67.18847144,86.22584474,91.19753188,68.11028045,28.01061301,0,0,4839.502245,4076.805803,8519.524242,11270.26319,16437.40968,15307.1943,11649.81208,0,0,47.84027778,56.5,86.16666667,122,149.5,132,63,0,0,45.47235755,49.86624029,35.53634643,27.99755947,16.29811959,6.1918752,1.016064,0,0,152.873345,202.9595551,151.3011407,139.03324,97.70055464,70.12175134,31.08374443,0,0,6.973583586,7.238456,7.078111037,7.087661889,6.962060889,6.9047424,6.718464,0,0,1.172150279,1.592217364,1.244230953,1.197581177,0.921187191,0.756780894,0.444612905,0,0,166.8793878,145.6002072,157.7689674,156.5314332,166.0344412,170.0799367,184.917652,0,0,1.649664751,2.017857143,1.595679012,1.694444444,1.51010101,1.466666667,1,0,0,0.039168727,-0.010089061,0.008343935,-0.016028041,-0.00430371,-0.031430565,0.033923078,0,0,751.4441938,-57.58193056,157.9184446,-429.561202,-252.4967655,-528.6021225,734.6014791,0,0,1397.342566,-107.0760587,293.656091,-798.787398,-469.5285174,-982.958219,1366.022819,0,0,0.147202759,-0.011279905,0.030935139,-0.08414809,-0.049462383,-0.103549527,0.143903386,0,0,6.246771423,-0.478679803,1.312779358,-3.570951327,-2.099010934,-4.394280587,6.106757581,0,0,33.93256151,-2.600196285,7.131038311,-19.39746428,-11.40186071,-23.86980189,33.1720041,0,0,4.179118774,-2.368344563,1.820204122,-2.118559255,2.226887634,-4.896403092,3.246655767,0,0,0.001350646,-3.60E-04,1.55E-04,-2.23E-04,-4.35E-05,-3.49E-04,5.38E-04,0,0,25.91186875,-2.05649752,2.92441564,-5.966127805,-2.550472379,-5.873356917,11.66034094,0,0,48.18422642,-3.824144954,5.43807576,-11.09426942,-4.742712297,-10.92175799,21.68290189,0,0,0.005075957,-4.03E-04,5.73E-04,-0.001168723,-5.00E-04,-0.00115055,0.002284181,0,0,0.215405911,-0.017095707,0.024310729,-0.049596546,-0.021202131,-0.04882534,0.09693266,0,0,1.170088328,-0.092864153,0.132056265,-0.269409226,-0.11517031,-0.265220021,0.526539748,0,0,0.144107544,-0.084583734,0.033707484,-0.029424434,0.022493814,-0.054404479,0.051534219,0,0,-0.266778766,0.11440255,-0.1648187,-0.032185949,-0.258564095,0.39866971,0,0,-0.079365079,0.112860082,-0.230246914,-0.098428732,-0.226666667,0.45,0,0,-0.079365079,0.112860082,-0.230246914,-0.098428732,-0.226666667,0.45,0,0,-0.079365079,0.112860082,-0.230246914,-0.098428732,-0.226666667,0.45,0,0,-0.079365079,0.112860082,-0.230246914,-0.098428732,-0.226666667,0.45,0,0,-0.079365079,0.112860082,-0.230246914,-0.098428732,-0.226666667,0.45,0,0,-0.586948692,0.23390506,-0.204183857,0.156090472,-0.377526931,0.357609443,0,0,1.802121842,0.902990494,1.312377174,1.020195077,1.236484023,8.05E-05,0,0,1.611111111,1.08600823,1.441049383,1.048035915,1.052592593,0,0,0,1.611111111,1.08600823,1.441049383,1.048035915,1.052592593,0,0,0,1.611111111,1.08600823,1.441049383,1.048035915,1.052592593,0,0,0,1.611111111,1.08600823,1.441049383,1.048035915,1.052592593,0,0,0,1.611111111,1.08600823,1.441049383,1.048035915,1.052592593,0,0,0,2.196768279,0.5841801,1.35123959,0.757131248,1.563327985,0,0,0,40.59627183,20.29813592,27.79151114,40.59627183,4.51069687,20.29813592,1.78E-14,0.103265118,0.011473902,-2.043410075,35.06960524,3.896622805,3.201601327,40.59627183,20.29813592,27.79151114,40.59627183,4.51069687,20.29813592,1.78E-14,0.103265118,0.011473902,-2.043410075,35.06960524,3.896622805,3.201601327,40.59627183,20.29813592,27.79151114,40.59627183,4.51069687,20.29813592,1.78E-14,0.103265118,0.011473902,-2.043410075,35.06960524,3.896622805,3.201601327,40.59627183,20.29813592,27.79151114,40.59627183,4.51069687,20.29813592,1.78E-14,0.103265118,0.011473902,-2.043410075,35.06960524,3.896622805,3.201601327,40.59627183,20.29813592,27.79151114,40.59627183,4.51069687,20.29813592,1.78E-14,0.103265118,0.011473902,-2.043410075,35.06960524,3.896622805,3.201601327,40.59627183,20.29813592,27.79151114,40.59627183,4.51069687,20.29813592,1.78E-14,0.103265118,0.011473902,-2.043410075,35.06960524,3.896622805,3.201601327,56.40456966,28.04171384,39.94769911,56.15479257,6.239421397,28.04171384,-0.321141975,0.071192171,0.007910241,-2.37813518,30.00526254,3.333918061,3.061235506,0,11.89,12.11013444,-0.158056721,0.063473871,5.75475,9.532762612,8,28,28,28,8,0,0,0,0,0,21.86414,3.637282007,3.112599877,2.902564078,2.333552793,2.333552793,2.14936441,1.598026915,1.162837791,1.974892075,1.667247237,1.563026335,1.249629723,1.249629723,1.048930994,0.769718516,0.440344289,3.658753114,3.150713835,2.950308951,2.405454588,2.405454588,2.217766728,1.695309721,1.269690916,1.922967344,1.58857667,1.473453684,1.134540686,1.134540686,0.933620224,0.630337185,0.290000277,3.755381836,3.318028628,3.155598408,2.704236987,2.704236987,2.507077934,2.090117344,1.702702127,1.775109076,1.351217995,1.195492746,0.76031856,0.76031856,0.562129754,0.162386152,0.218324093,3.674689108,3.178805544,2.985267979,2.457539916,2.457539916,2.267644441,1.765276817,1.346550641,1.890327588,1.537907807,1.415133181,1.058262671,1.058262671,0.857422689,0.536857124,0.188893887,3.803761995,3.398793114,3.252217518,2.838982085,2.838982085,2.639666545,2.26277616,1.891182114,1.730553434,1.275766962,1.104407163,0.631337262,0.631337262,0.435831157,0.004703131,0.40108138,3.625674717,3.231810811,3.071089893,2.62226806,2.62226806,2.342386396,1.84591069,1.397142196,1.930054162,1.46504806,1.316419123,0.889647739,0.889647739,0.752180121,0.424110872,0.097001338,0,0,0,0,0,5,2,1,1,0,0,0,0,0,0,0,0,0,0,1.510362971,0.288675135,0.433012702,0.144337567,1.510362971,0.288675135,0.433012702,0.144337567,1.946432708,2.643356133,1.274273694,1.946432708,2.643356133,1.274273694,7.491563832,4.019385278,3.87944541,2.210343431,1.513420006,0,0,0,0.832395981,0.50242316,0.352676855,0.221034343,0.216202858,0,0,0,7.491563832,4.019385278,3.87944541,2.210343431,1.513420006,0,0,0,0.832395981,0.50242316,0.352676855,0.221034343,0.216202858,0,0,0,14.41827804,27.87836854,26.25490196,26.6,16.98554491,223.5398563,0.497182001,0.961323053,0.905341447,0.917241379,0.585708445,7.708270906,3.4687,43.527,20.29813592,27.79151114,40.59627183,4.51069687,20.29813592,0.103265118,0.011473902,-2.043410075,35.06960524,3.896622805,3.201601327,50,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,5,0,2,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,11.52662037,0,2.638888889,0,0,0,0.900462963,0,0,0,0,0,0.517361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.277199074,0,1.319444444,0,0,0,0.900462963,0,0,0,0,0,0.517361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.324074074,0,1.319444444,0,0,0,0.900462963,0,0,0,0,0,0.517361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.58333333,1.731481481,0.2,2.324074074,0,0.517361111,6.760894676,0.732638889,0.324074074,3.053240741,0.732638889,0.324074074,3.053240741,4.5,0.5,0,0,0.42414,0.7,0.42414,0.42414,0.7,0,0,0,0,0.71429,0,0,0.55556,0.11111,0.11111,4,0.44444,4,0.44444,0,0,-4,-0.44444,0,0,11.53525,1.28169,11.53525,0,0,4.01938,0.4466,4.01938,0,0,0.39462,0.04385,0.39462,0.04385,0,8,0,0,0,0,0,0,1,0.893571102,1.408042982,2.259420773,2.761636598,2.594120012,1.993019185,25.91356195,40.83324649,65.52320242,80.08746134,75.22948034,57.79755636,0.183938781,0.289841188,0.465094609,0.568474146,0.533991387,0.410256686,3.964409893,3.449938013,2.598560222,2.096344397,2.263860983,2.86496181,0.185875833,0.292893494,0.469992503,0.574460726,0.539614831,0.414577084,6.65913786,12.83280043,15.53098835,16.03713403,14.026935,8.655096697,35.68332321,25.714359,23.61389225,23.77133575,22.76623623,18.40080827,9,3.239669421,2.88,9,0,5,2.45,1.3767,3.077861033,4.152436465,2.5,3.221970075,0.5,2,1,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.131,0.009,0.004,3.625,11,10,7,0,0,0,0,0,0,45,2.197224577,2.48490665,2.397895273,2.079441542,0,0,0,0,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.375,8,1,1,2,4,1,3.5,1.555555556,0.875,0,0,0,0,0,0,0,0.4375,0.141414141,0.0875,0,0,0,0,0,0,0,0.666414141,20.29813592,27.79151114,40.59627183,4.51069687,20.29813592,0.103265118,0.011473902,-2.043410075,35.06960524,3.896622805,3.201601327,0,164.2203203,4.169925001,3.663561646,4.394449155,5.241747015,5.993961427,6.842683282,7.601402335,8.449556543,9.210440367,10.05813811,78.45593988,2.833213344,0,4.110873864,0,5.59471138,0,7.158513997,0,8.750999691,8.981430226,128.1565006,4.419189677,16.27137283,1.807930314,0,0,0,88,10,5.376,38,1.230142857,2.120751856,2.931621005,3.501814971,4.074351824,4.213602798,0,0,0,0,72.40063676,86.24858719,89.01527162,59.73835959,24.56568961,4.281290113,0,0,0,0,275.5059647,351.6343945,426.6969368,354.6940861,280.7061996,130.9745525,0,0,0,0,8.939719117,15.07932026,20.81877705,24.42829427,28.10851751,28.30893871,0,0,0,0,2.098837641,2.825465234,3.62529452,3.317604137,3.043453137,1.87342218,0,0,0,0,176.9060838,329.6891532,456.0249226,577.6436631,694.8638235,779.1695359,0,0,0,0,2.526529762,3.530413118,5.062553311,5.401311744,5.916011115,4.213602798,0,0,0,0,0.435567857,0.593200326,0.767731185,0.715034059,0.670625945,0.431472926,0,0,0,0,365.9650445,177.9171145,8.843161777,134.0341525,-65.16187821,-7.832762679,231.930892,243.0789927,16.67592446,0.731931264,0.3558348,0.017686352,0.268068736,-0.130323966,-0.015665551,182.9822284,88.95841438,4.421573788,67.01696864,-32.58088678,-3.91637505,0.062878137,0.133719689,0.806776041,6.312161141,499.999197,0,1,0,496.6525532,22.28570289,7.919253116,690.3932748,26.27533586,8.838234442,987.5692925,31.42561523,9.958391421,1.310755992,1.079729203,466.5593599,361.3117601,240.7600198,1.291293037,1.937860614,1.500713284,4.1049872,3.220218461,6.42424645,0.994972244,5.591774469,8.672253288,5.190366939,30.79499889,9.150064809,10.18585552,15.1161558,25.76572786,5.66929731,7.095921271,1.827267791,1.126710554,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.468220753,7.647404265,0.310343801,13.70240847,1.08786877,2.373435572,0.824974355,1.277706836,1.085724399,0.099661016,0.012870665,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5121709,7.800906276,1.084355572,16.25697201,1.688227292,3.417726185,2.743495399,4.400316534,1.584166711,0.648447924,0.134113862,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.277450375,8.589810949,4.813042031,29.41804349,8.286707753,9.512874718,13.88798344,23.6029513,5.234040601,6.356548385,1.62806344,1.003878819,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.229367089,7.92281656,1.681637957,18.28804207,2.410728051,4.298021389,4.357009049,7.100888925,2.056134369,1.286254997,0.291310601,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.756328814,8.999870094,6.676645417,36.26857016,12.76656205,12.89867916,20.06464413,34.52702646,7.456454608,10.18667931,2.664894859,1.643201453,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.477636071,6.65086604,2.483859314,21.04720902,3.691928383,5.553823993,6.95571104,11.67298445,3.336142623,2.582421898,0.609494512,0.375817207,2.68E-15,3.68E-51,9.75E-109,4.98E-188,4.91E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.065146483,1.846444271,1.025602255,0.51626189,0.310996167,0.497704789,0.515633244,0.45142906,5.937193008,10.69696071,22.43867497,0.274392835,1.464767093,2.290458931,1.351450853,0.528617213,0.54920132,0.324047981,0.277916525,0.27758479,0.119972325,4.170526997,5.020618876,10.82745015,0.32380198,0.67547364,2.608511967,1.554622812,0.732708492,0.532801363,0.317539334,0.360458291,0.366573076,0.230493212,4.895843272,7.105616416,14.97277742,0.299202044,0.957524579,3.046980615,1.834832214,1.013953127,0.516808272,0.311211847,0.491822886,0.509225294,0.441242629,5.895765957,10.54062758,22.10509945,0.275212408,1.442290809,2.745773693,1.642327312,0.820766045,0.527134532,0.315294535,0.399391512,0.408745543,0.289204432,5.20886705,8.111063436,17.02114142,0.290701797,1.097341488,3.121705642,1.882599719,1.061870156,0.514608526,0.31034376,0.516241899,0.535837419,0.483883681,6.066175517,11.19084468,23.49754845,0.271912789,1.535962999,3.056958862,1.836040738,1.016718531,0.517276593,0.310681609,0.495049402,0.509950606,0.443662274,5.909718131,10.58750437,22.20375962,0.27591489,1.448662282 +UMLS0231,L,"2,2-Dimethyl-3-ethylpentane",CCC(CC)C(C)(C)C,28026,RON from [9],"Sandia, UML","[1], [9]",C9H20,PubChem,,12.6,0,-0.6676,0.44568976,32.065,22.457102,0,0,22,8,14,0,7,0,1,0,0,0,0,0,0,0,1280.041744,1227.247947,1382.165159,1264.141294,1067.384565,562.917938,281.592025,84.835296,9.144576,3616.181511,4450.143542,5558.086517,5314.515117,4307.716772,3194.098172,2068.222976,1061.424631,279.7536999,160.193824,154.923828,281.542892,350.60116,287.71626,225.3026,186.21226,123.32736,60.466176,26.39008467,33.66236034,45.56728387,44.90940762,35.88787876,27.93293149,21.03814958,12.01662072,4.001516144,3661.858907,3057.825133,6158.531007,8009.160087,6530.204932,4987.751257,4616.702266,3137.747111,1664.258868,82.77777778,51.16666667,79.91666667,109.8333333,102.25,79,37,24,9,58.18371564,58.44037843,35.44013228,26.33627696,27.368835,18.76393127,10.42933426,4.713072,1.016064,164.3718869,211.9115972,142.5150389,110.7190649,110.4542762,106.4699391,76.60085098,58.96803508,31.08374443,7.281537455,7.377325143,7.219048513,7.304190833,7.37734,7.510086667,6.89675037,6.85152,6.718464,1.199549303,1.60296954,1.168391894,0.935612659,0.92020202,0.931097716,0.779190725,0.66759004,0.444612905,166.4481321,145.6107206,157.9110515,166.8575018,167.4411521,166.2583752,170.9889728,174.3192839,184.917652,3.762626263,2.436507937,2.049145299,2.288194444,2.621794872,2.633333333,1.37037037,1.333333333,1,0.131260663,-0.045776118,-0.011845346,-0.008021612,0.034946992,-0.041002774,0.002867428,-0.001574,0.004775099,687.3645011,-46.5210804,-72.60977875,-10.92626802,-13.31048475,-437.6237417,41.13191475,38.74769802,157.4294903,1066.90404,-96.33311012,-292.1129994,2.672876398,2.355159956,-427.8117277,17.86783888,17.55012244,242.3598194,1.085692364,-0.003217983,0.098766083,-0.163126612,-0.182120463,-0.558170314,0.099429554,0.080435702,0.085157851,4.734521863,-0.459492824,-1.753681784,-0.025053141,-0.02579097,-0.950592798,-0.052286738,-0.053024566,0.95266189,26.12162368,-2.544279046,-10.26560835,-0.280625194,-0.292495931,-3.687455532,-0.473882754,-0.485753491,4.969288461,34.27272727,-0.533057851,1.084710744,-7.064738292,-1.824380165,-15.22038567,2.983471074,1.32231405,2.115702479,0.005966394,-0.002179815,-3.04E-04,-1.67E-04,8.96E-04,-0.001366759,1.06E-04,-8.74E-05,5.31E-04,31.24384096,-2.215289543,-1.861789199,-0.227630584,-0.341294481,-14.58745806,1.52340425,2.15264989,17.49216559,48.49563818,-4.587290958,-7.490076907,0.055684925,0.060388717,-14.26039092,0.66177181,0.975006802,26.92886883,0.049349653,-1.53E-04,0.002532464,-0.003398471,-0.004669755,-0.018605677,0.003682576,0.00446865,0.009461983,0.215205539,-0.021880611,-0.0449662,-5.22E-04,-6.61E-04,-0.031686427,-0.001936546,-0.002945809,0.105851321,1.187346531,-0.121156145,-0.263220727,-0.005846358,-0.007499896,-0.122915184,-0.017551213,-0.026986305,0.552143162,1.55785124,-0.025383707,0.027813096,-0.147182048,-0.046778979,-0.507346189,0.110498929,0.073461892,0.235078053,-0.365348861,-0.050906265,-0.028009702,0.150187325,-0.229076257,0.017799872,-0.014656164,0.08892584,-0.07090324,-0.059588999,-0.007285615,-0.010923576,-0.466890677,0.048758546,0.068898376,0.559859641,-0.094591826,-0.154448466,0.001148246,0.00124524,-0.294055124,0.013646007,0.020105041,0.555284348,-0.003105134,0.051316747,-0.068865146,-0.094625903,-0.377017386,0.074622127,0.090550792,0.191733536,-0.101673083,-0.208945363,-0.002425311,-0.003072908,-0.147237969,-0.008998587,-0.013688352,0.491861508,-0.102039415,-0.22168821,-0.004923885,-0.006316518,-0.103520902,-0.014781879,-0.022728247,0.465022761,-0.016294051,0.017853499,-0.094477601,-0.030027885,-0.325670498,0.070930347,0.047155909,0.15089891,1.135298338,0.811035186,1.240879826,1.329451894,1.835450709,0.197242424,0.207135578,0,1.244484016,1.05569469,0.989714036,1.028430338,1.549624126,0.684952826,0.616457543,0,1.493214171,1.267214504,0.913415642,0.896962336,1.198199205,0.820594415,0.738534974,0,0.532603912,0.53828678,1.327215976,1.609972143,2.288567999,0.084949376,0.076454438,0,1.567567372,1.344764791,0.909999903,0.891076757,1.049708735,0.826666838,0.744000154,0,1.571413854,1.354213064,0.917184986,0.903457207,1.025536537,0.813893358,0.732504022,0,0.539787798,0.552506291,1.359499337,1.564561654,2.277320955,0.062407899,0.102122016,0,36.84000323,18.54500162,28.6428363,37.02750323,4.628437904,18.54500165,0.25,2.22E-16,2.78E-17,-28.83492271,3000010.71,375001.3387,11.93130113,36.84171659,18.54549108,28.64332576,37.02866577,4.628583221,18.54549111,0.249265579,7.77E-16,9.71E-17,-27.83271234,3000010.71,375001.3387,11.93130113,38.37612104,18.98856328,29.08639796,38.07687518,4.759609397,18.9885633,-0.398994478,8.88E-16,1.11E-16,-27.72588722,3000010.71,375001.3387,11.93130113,36.84351482,18.54600481,28.64383949,37.02988592,4.62873574,18.54600484,0.2484948,2.22E-16,2.78E-17,-28.83492271,3000010.71,375001.3387,11.93130113,40.03480741,19.47625657,29.57409125,39.22308671,4.902885839,19.47625658,-1.082294264,5.55E-16,6.94E-17,-28.10189013,3000010.71,375001.3387,11.93130113,37.01965254,18.59639336,28.69422804,37.14950318,4.643687898,18.59639339,0.173134186,2.22E-16,2.78E-17,-28.83492271,3000010.71,375001.3387,11.93130113,40.39291283,20.23617962,31.66210048,40.71830965,5.089788706,20.23617963,0.650793651,8.88E-16,1.11E-16,-27.72588722,3000010.564,375001.3204,11.93130109,0,11.89,15.99491639,-0.299193378,0.132675696,4.429620118,7.019142124,7,21,20,20,6,1,1,0,0,1,16.262898,3.57200437,3.158726067,2.844183096,2.18392002,1.967707112,1.33214981,1.332136534,0.083923071,1.868454358,1.708882991,1.355178962,1.091617933,0.72416625,0.62252576,0.184433356,0.083923071,3.537100223,3.197240258,2.810627379,2.253323613,1.883596426,1.442861713,1.346145858,0.270913902,1.834481137,1.631733601,1.303842226,0.975709625,0.636384852,0.473240653,0.27522086,0.270913902,3.675055697,3.364701014,3.039324004,2.546003084,2.259356832,1.884943921,1.822128391,0.943918427,1.653398192,1.397661851,1.015213949,0.601565151,0.201416978,0.035334264,0.236582257,0.943918427,3.539915846,3.225530555,2.820845547,2.303876515,1.890416069,1.522049418,1.374099801,0.399277246,1.816233812,1.581957035,1.273337723,0.899064477,0.597225586,0.37260324,0.260408886,0.399277246,3.711542677,3.444790866,3.106015981,2.679762813,2.349642212,2.074844725,1.961296806,1.207644823,1.613424864,1.322620074,0.945089062,0.474040332,0.095091115,0.220196471,0.357427907,1.207644823,4.899343648,3.342825957,3.285915969,2.615260779,2.401877879,1.730809977,1.627016104,0.6,1.712140618,1.509387149,1.03239507,0.769985066,0.335893732,0.235437737,0.492189059,0.6,0,0,0,1,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.102062073,0,0,0,0.40824829,0.552585858,0.288675135,0.144337567,0.195368604,0.102062073,6.405777394,3.808060412,2.682521985,1.562948829,1.129936127,0.288675135,0.144337567,0,0.800722174,0.54400863,0.383217426,0.260491471,0.225987225,0.144337567,0.144337567,0,5.736675415,3.325444489,2.038675135,1.057677536,0.682677536,0.25,0.125,0,0.717084427,0.475063498,0.291239305,0.176279589,0.136535507,0.125,0.125,0,11.50759373,21.54552076,20.42745098,20.72,13.07012096,169.3523066,0.523072442,0.979341853,0.928520499,0.941818182,0.594096407,7.697832118,2.1557,34.823,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,61,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,2,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.64305556,0.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.945833333,0.802777778,0,0,0,0,0,0,0,0,0,0,4.070555556,0,3.541018519,0,0,0,0,0,0,0.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.64305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.64305556,0.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.265625,0.401388889,0,0,0,0,0,0,0,0,0,0,2.035277778,0,0.771666667,0,0,0,0,0,0,0.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.64305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.64305556,0.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.035277778,0,0.998842593,0,0,0,0,0,0,0.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.64305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.66666667,2.333333333,0.465972222,10.64305556,0.265625,0.412037037,3.407153704,1.25462963,3.643055556,7.427222222,1.25462963,3.643055556,7.427222222,3.83333,0.47917,0,0.02083,0.4803,0.79583,0.42308,0.4803,0.79583,0.05723,0,-0.05723,0,0.60209,0.1122,0,0.34783,0.13043,0,5.25,0.65625,3.75,0.46875,1.5,0.1875,-2.25,-0.28125,0,0,6.52331,0.81541,8.49821,1.97491,0.24686,3.11989,0.38999,3.80805,0.68816,0.08602,0.10595,0.01324,0.10595,0.01324,0,7.01,1,1,1,1,0,0,0.857142857,1.143320102,1.763842123,2.754441846,2.754441846,2.572623664,2.006285863,25.15304225,38.8045267,60.59772061,60.59772061,56.59772061,44.13828899,0.256382472,0.395530703,0.617666573,0.617666573,0.576894969,0.449897214,3.316111517,2.695589496,1.704989773,1.704989773,1.886807955,2.453145756,0.256382472,0.395530703,0.617666573,0.617666573,0.576894969,0.449897214,9.968326343,17.41459059,18.41294179,18.41294179,16.23112361,13.43222453,29.50877429,19.9690069,20.80426451,20.80426451,23.98847895,23.4405345,8,5.142857143,5,8,1,7,2.12,1.1106,0.166666667,3.181082915,0.666666667,0,2.941682753,2.828427125,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,3.887,7,6,5,2,1,0,0,0,0,36,2.197224577,2.302585093,2.197224577,2.079441542,1.098612289,0.693147181,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.666666667,0.375,0.08,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.0625,0.016,0.027777778,0,0,0,0,0,0.415801587,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,17.07,135.7821191,4,3.36729583,4.007333185,4.709530201,5.370638028,6.084499413,6.751101469,7.467942332,8.135932772,8.853522561,69.74779579,2.708050201,0,3.761200116,0,4.990432587,0,6.304448802,0,7.656810091,7.96241568,114.1044651,5.186566594,14.6584741,1.832309262,2.451123717,2.451123717,0,75,6,1.829,28,1.233333333,2.127905567,2.879963448,3.626157149,4.998700783,5.91775836,7.149878224,8.248855885,0,0,82.62061363,84.68613563,85.30766813,120.2020426,105.8917791,72.77475524,36.43541789,8.381365506,0,0,286.274389,326.4421231,346.2299747,461.0646672,570.7372697,495.8431079,442.2617771,256.4053282,0,0,9.129617831,15.44937041,21.10811278,26.71489668,37.45207611,40.95389848,49.08605775,55.41964131,0,0,2.113145198,2.618596231,2.857514906,3.736626653,4.919534301,4.904078731,4.93829558,3.667547777,0,0,177.4424221,332.3311183,476.9848627,593.5825949,822.5762649,1001.109252,1238.513869,1525.359062,0,0,3.063896825,4.569429287,6.723641518,9.522286626,12.96143187,8.435909828,9.779994616,8.248855885,0,0,0.449709286,0.578472985,0.65518638,0.863249335,1.135092924,1.067368071,1.094051546,0.844682843,0,0,396.6680586,209.2560639,12.30183333,174.6310972,-92.12391884,-17.69022139,222.0369613,301.3799827,29.99205472,0.694326352,0.366281066,0.021533085,0.305673648,-0.161253378,-0.0309649,226.616127,119.5478126,7.028026999,99.76659844,-52.63031706,-10.10640854,0.251395463,0.567111721,4.506447523,17.97572681,539.6021795,31.69697636,0.944517726,0.055482274,506.3771674,22.50282577,7.970606549,641.9956726,25.33763352,8.626686854,834.4376527,28.8866345,9.414515271,2.369854061,2.369854061,714.7792402,662.9069966,71.93087291,1.078249655,9.937029974,9.215889781,4.225634109,4.434143809,8.849939625,0.995862111,3.917822784,5.778255412,2.144191084,13.73535324,6.281247875,0.096321537,2.418519278,4.848570807,9.69458112,0.056183925,2.986761539,4.629390488,4.337108891,1.411994453,3.955765266,0.160093208,0.210434626,8.89E-19,7.24E-58,1.14E-118,3.44E-201,2.01E-305,0,0,0,0,0,0,0,0,0.345289482,5.778031215,0.143569305,5.499030446,0.244988666,0.001013467,0.688941594,0.419490207,2.178745415,0.004546501,0.025288826,0.089209154,0.062783265,0.994833228,0.063979185,0.001128688,0.001482108,6.26E-21,5.10E-60,8.01E-121,2.43E-203,1.42E-307,0,0,0,0,0,0,0,0,1.067258616,5.777928829,0.487425109,5.801936037,0.728915259,0.007582383,0.942794963,1.081555985,3.16845992,0.014787768,0.223596299,0.47918478,0.40114145,1.079984726,0.383125962,0.011752859,0.015444711,6.52E-20,5.31E-59,8.34E-120,2.53E-202,1.48E-306,0,0,0,0,0,0,0,0,3.70321596,5.778289294,1.998892439,13.87055478,6.222405802,0.085928495,2.368613887,5.105316979,9.041906423,0.052916931,2.661764941,4.161551625,3.886482785,1.386456141,3.549385299,0.142640949,0.187493463,7.92E-19,6.45E-58,1.01E-118,3.07E-201,1.79E-305,0,0,0,0,0,0,0,0,1.565367409,5.777907687,0.742626849,6.245441598,1.137391006,0.015917679,1.151201142,1.452354936,4.009509667,0.021906865,0.480335047,0.906269592,0.792005852,1.13843856,0.743321703,0.025525981,0.033547976,1.42E-19,1.15E-58,1.81E-119,5.49E-202,3.21E-306,0,0,0,0,0,0,0,0,4.731361413,5.77842984,2.708082133,17.67954452,9.078174343,0.13997852,2.862002678,6.424638588,12.32998317,0.068400247,4.35323522,6.577195573,6.220118691,1.506551329,5.651303648,0.233477186,0.306899125,1.30E-18,1.06E-57,1.66E-118,5.02E-201,2.94E-305,0,0,0,0,0,0,0,0,2.465203933,5.371652532,1.140607339,14.92764788,5.919883301,0.035140263,2.2598575,6.202334706,5.433989438,0.030893517,1.078730141,1.915995087,1.636835464,1.705399891,1.593204377,0.057638883,0.075756465,3.20E-19,2.61E-58,4.09E-119,1.24E-201,7.25E-306,0,0,0,0,0,0,0,0,7.876774435,0.790237663,0.452338377,0.863742923,0.086655038,0.584213114,0.538919363,0.545435764,9.119350476,10.14494601,22.07988749,0.795614384,1.668568241,5.721961217,0.593458135,0.087846848,0.893600397,0.092680535,0.308293693,0.303939483,0.020571649,6.4032662,3.950534113,10.65210576,0.840400595,0.632804825,6.836039468,0.580924648,0.234278744,0.893454775,0.075925527,0.440031364,0.291237987,0.146312865,7.65124286,5.70886086,14.29047705,0.840182162,0.877582216,7.705115294,0.809033981,0.435977007,0.86089459,0.090393583,0.559027003,0.564861445,0.50669184,8.950126282,9.945673419,21.61354961,0.791341885,1.630580287,7.293399512,0.60192089,0.304005241,0.889512117,0.073411024,0.500880916,0.312670654,0.246364927,8.199325642,6.790268302,16.32419201,0.834268176,1.059916497,7.972386325,0.826092267,0.478484324,0.859374603,0.089047706,0.598482088,0.588932425,0.610312364,9.276962917,10.79586078,23.22408638,0.789061905,1.797726877,7.710452174,0.814514543,0.435662308,0.860481128,0.09089926,0.559801686,0.572540347,0.505960619,8.960629025,9.994282107,21.69099042,0.790721692,1.638302651 +UMLS0232,L,4-Heptanone,CCCC(=O)CCC,31246,Sandia and Co optima database valuese measured by NREL,Sandia,,C7H14O,PubChem,,-2.5,0,-0.1638,0.02683044,24.4562,17.603516,0,0,18,6,12,0,5,0,1,0,0,0,0,0,0,0,989.481374,918.525433,1003.316377,769.312871,559.034538,134.18496,6.096384,0,0,2706.980219,3340.91352,4245.280188,4043.695316,2726.669026,1125.643694,186.5024666,0,0,131.675864,127.961068,226.768108,280.468388,275.794488,158.402304,40.310784,0,0,19.92305886,25.2786954,34.93808817,36.48214284,26.57775802,11.2156643,2.667677429,0,0,3038.434891,2530.053054,4960.191286,6428.598677,6799.160259,3821.280232,1109.505912,0,0,62.27777778,43.91666667,64.66666667,74.66666667,73.33333333,53,6,0,0,54.97118744,54.03090782,32.36504442,19.72597105,14.33421892,6.38976,1.016064,0,0,150.3877899,196.5243247,136.9445222,103.6844953,69.9145904,53.60208067,31.08374443,0,0,7.315325778,7.527121647,7.315100258,7.191497128,7.071653538,7.542966857,6.718464,0,0,1.106836603,1.486982082,1.127035102,0.93543956,0.681480975,0.534079252,0.444612905,0,0,168.8019384,148.8266503,160.0061705,164.8358635,174.3374425,181.9657253,184.917652,0,0,3.459876543,2.583333333,2.086021505,1.914529915,1.88034188,2.523809524,1,0,0,0.225203329,-0.101462182,-0.025577948,-0.004255898,0.049056005,-0.059646296,0.029284654,0,0,557.7912351,-66.11605249,-126.6202505,-247.7438725,188.5874278,-117.7591669,90.75629696,0,0,815.6252945,-79.2452518,-166.6805924,-442.064738,86.54347906,62.48144501,131.1530109,0,0,1.059967111,-0.095141383,-0.136576247,-0.101138519,0.203062815,-0.462342519,0.062152296,0,0,3.576219349,-0.265723223,-0.593319447,-1.950975569,-0.383008841,0.913523069,0.491394336,0,0,19.7674611,-1.32649563,-3.008159357,-10.57865728,-3.365846977,5.872933101,2.522495592,0,0,23.75308642,-3.575445816,-2.114883402,-4.252057613,7.093621399,-10.31378601,1.28600823,0,0,0.012511296,-0.005968364,-8.25E-04,-1.09E-04,0.001257846,-0.0028403,0.004880776,0,0,30.98840195,-3.889179558,-4.084524209,-6.352406988,4.835575072,-5.607579374,15.12604949,0,0,45.31251636,-4.6614854,-5.376793304,-11.33499328,2.219063566,2.975306905,21.85883516,0,0,0.058887062,-0.005596552,-0.004405685,-0.002593295,0.005206739,-0.02201631,0.010358716,0,0,0.198678853,-0.015630778,-0.019139337,-0.050025015,-0.00982074,0.043501099,0.081899056,0,0,1.098192283,-0.078029155,-0.097037399,-0.271247623,-0.086303769,0.279663481,0.420415932,0,0,1.319615912,-0.210320342,-0.068222045,-0.109027118,0.181887728,-0.491132667,0.214334705,0,0,-0.477038,-0.065948011,-0.008722165,0.100536849,-0.227018831,0.390109521,0,0,-0.12550436,-0.131808159,-0.204993049,0.156044674,-0.180957359,0.488119701,0,0,-0.102874123,-0.118660223,-0.250151486,0.04897242,0.065661922,0.482401705,0,0,-0.095038736,-0.074815847,-0.044038457,0.088419063,-0.373873475,0.175908183,0,0,-0.078673586,-0.096333036,-0.25178832,-0.049430221,0.218951831,0.412218285,0,0,-0.071052361,-0.088361028,-0.246994654,-0.07858712,0.254658028,0.382825429,0,0,-0.159379968,-0.051698411,-0.082620342,0.13783384,-0.372178497,0.162422037,0,0,1.381647489,0.797523556,0.703918411,0.574403292,2.241022284,1.312124678,0,0,1.409452341,1.180958298,1.127929489,0.620590972,1.15415738,0,0,0,1.590373361,1.278605214,1.25695846,0.702444932,0.47191233,0,0,0,1.043987109,0.894935497,0.730864767,0.624596254,2.602201853,0,0,0,1.655711089,1.29519174,1.274853026,0.767636808,0.240231621,0,0,0,1.661705788,1.290419824,1.266822954,0.785624606,0.223930104,0,0,0,1.121491684,0.867685769,0.775337838,0.574494243,2.59013959,0,0,0,21.03843826,10.64421913,16.53344786,21.20510493,3.534184155,10.6442802,0.25,0.03423935,0.005706558,-2.024627828,18.44631192,3.074385319,1.748918673,21.04159492,10.64543025,16.53541862,21.20777197,3.534628661,10.64549123,0.249265579,0.03436061,0.005726768,-2.022506657,18.45212233,3.075353722,1.749107637,23.85581025,11.72840789,18.45418449,23.58981393,3.931635656,11.72842654,-0.398994478,0.142916857,0.023819476,-1.167295342,54.25438409,9.042397349,2.396210281,21.04490793,10.64670137,16.53748742,21.21057113,3.535095189,10.64676226,0.2484948,0.034487888,0.005747981,-2.020288247,18.45823249,3.076372081,1.749306286,26.86533089,12.89151831,20.84496718,26.14380138,4.35730023,12.89152393,-1.082294264,0.242945972,0.040490995,-0.848949719,23.07833029,3.846388381,1.883336457,21.36927278,10.77120348,16.74213892,21.48469557,3.580782595,10.77125626,0.173134186,0.047002079,0.00783368,-1.834538061,19.12118786,3.186864644,1.77047822,23.14655849,11.86494591,18.91500556,23.53544738,3.922574563,11.8649656,0.583333333,0.010495254,0.001749209,-2.734099248,15.42880713,2.571467855,1.641741813,0,11.99640057,15.99794223,-0.421693145,0.069896371,3.94567306,7.130879209,5,17,17,17,5,0,0,0,0,0,13.118484,3.462418327,2.91648782,2.333552793,2.040933935,1.28574234,0.964708207,0.083923071,0.083923071,1.86924803,1.439292845,1.249629723,0.837367765,0.404664916,0.368072746,0.083923071,0.083923071,3.47524016,2.870216801,2.405454588,1.962147931,1.237459261,1.076289878,0.270913902,0.270913902,1.816145112,1.398211226,1.134540686,0.777757418,0.342099114,0.217772547,0.270913902,0.270913902,3.612996741,3.123387144,2.704236987,2.368380831,1.787154642,1.581745336,0.943918427,0.943918427,1.624704692,1.088905786,0.76031856,0.315183995,0.262408825,0.34297587,0.943918427,0.943918427,3.492727995,2.880745109,2.457539916,1.976935215,1.263019408,1.150329754,0.399277246,0.399277246,1.783140158,1.373248962,1.058262671,0.739514765,0.280283032,0.110944814,0.399277246,0.399277246,3.670016378,3.191117386,2.838982085,2.473156797,1.944506285,1.788259369,1.207644823,1.207644823,1.569734502,1.015337418,0.631337262,0.198876004,0.422028567,0.54247333,1.207644823,1.207644823,4.283658108,3.45023646,2.657839583,2.62349744,1.744937136,1.290879504,0.6,0.6,1.729725471,1.152692448,0.857839583,0.441422377,0.020290283,0.310341364,0.6,0.6,0,0,0,0,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.288675135,0,0.288675135,0.129099445,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.438777427,2.379176595,1.906128782,0.706449714,0.25819889,0,0,0,0.739796238,0.475835319,0.381225756,0.235483238,0.129099445,0,0,0,8.965765927,17.6576839,16.70196078,16.96,10.27156647,139.5813569,0.498098107,0.980982439,0.92788671,0.942222222,0.570642582,7.754519827,1.0248,26.5408,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.696388889,0,8.236666667,0,0,0,0,0,0,0,0,0,0,0.696388889,0,0,0,0,0,0,0,0,0,0,0,0,0,1.503611111,0,0,0,0,0,0,0,0,0,0,0,4.186944444,0,1.261574074,0,0,0,0.648148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.236666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.696388889,0,8.236666667,0,0,0,0,0,0,0,0,0,0,0.696388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,2.093472222,0,0.331018519,0,0,0,0.648148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.236666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.696388889,0,8.236666667,0,0,0,0,0,0,0,0,0,0,0.696388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.093472222,0,0.930555556,0,0,0,0.648148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.236666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,2.388888889,0.696388889,8.236666667,0.24,0.331018519,2.692301667,1.168981481,2.236666667,4.847222222,1.168981481,2.236666667,4.847222222,2.83333,0.47222,0,0.02778,0.47593,0.82778,0.42,0.47593,0.75238,0.05593,0,-0.05593,0.0754,0.57047,0.14382,0,0.47059,0.17647,0,2.75,0.45833,2.75,0.45833,0,0,-2.75,-0.45833,0,0,4.94044,0.82341,5.69868,0.75825,0.12637,2.43179,0.4053,2.77005,0.33826,0.05638,0.14395,0.02399,0.14395,0.02399,0,5.01,1,1,1,1,1,1,1,1.134969975,1.94471679,2.974937501,2.974937501,2.743275001,1.927736112,20.42945954,35.00490222,53.54887502,53.54887502,49.37895002,34.69925001,0.272179949,0.46636733,0.7134271,0.7134271,0.657871544,0.462295152,3.034955027,2.225208211,1.1949875,1.1949875,1.42665,2.24218889,0.27767102,0.475776017,0.727820072,0.727820072,0.671143716,0.471621685,10.25843817,16.9429018,17.98118402,17.98118402,15.20123402,9.286364046,21.93297423,15.25754858,15.29189723,15.29189723,13.90192223,10.41754445,6,3.2,5.333333333,6,0,4,1.9,0.8718,0.5,1.632993162,2,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,2.891,5,3,2,0,0,0,0,0,0,21,1.791759469,1.791759469,1.386294361,1.098612289,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,20.23,103.8266085,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,88.088815,4.893823056,10.67917749,1.779862916,2.371664406,2.371664406,0,32,3,1.359,20,1.216411765,2.109021302,2.857296108,3.420592759,4.249390484,4.823337804,0,0,0,0,77.15821427,76.95587386,64.2249547,60.82442208,29.96915978,4.900819903,0,0,0,0,263.9099389,311.6444121,312.7481436,261.4279808,238.410252,149.9273996,0,0,0,0,9.180431628,15.49152274,20.61183636,24.44651994,32.52611578,32.4054214,0,0,0,0,1.941447524,2.511694225,2.759889535,2.432717428,2.301180115,2.144518232,0,0,0,0,178.6200885,333.7215899,468.4416594,592.1892674,772.5042007,891.9203017,0,0,0,0,3.19902451,4.551395188,5.628851457,7.16787034,11.59077722,4.823337804,0,0,0,0,0.425350094,0.558441024,0.62477506,0.591276659,0.635776371,0.493909791,0,0,0,0,343.9261176,204.0354472,16.43490903,136.526589,-80.99490625,-20.44013767,207.3995285,285.0303534,36.8750467,0.715837611,0.424673322,0.034207132,0.284162389,-0.168580393,-0.042543496,165.240234,98.02938284,7.896196525,65.59456923,-38.91422193,-9.820519466,0.35351441,0.666992915,12.21556297,25.09266047,408.277487,72.1752196,0.849776641,0.150223359,346.0061755,18.60124124,7.020390718,470.5945044,21.69319028,7.778256915,533.4844305,23.09728188,8.110368425,1.393126442,1.175486662,319.2048819,273.797044,72.97376279,1.16584488,4.374241778,3.751992957,3.637226539,3.22022378,5.518795453,0.713792528,3.782243497,4.176856481,3.910829914,12.90352341,3.546398532,3.481182611,3.7073513,5.270687559,2.255741749,2.036368089,1.76E-10,3.08E-42,1.04E-95,6.80E-171,8.56E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337322539,4.303721667,0.323266403,4.507786976,0.523527563,0.168093041,0.326121674,0.235148514,0.180013865,0.216562928,1.96E-11,3.44E-43,1.16E-96,7.60E-172,9.57E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.969469194,4.067498091,0.8059425,5.440670747,0.734822073,0.50436654,0.704701095,0.866995938,0.269677551,0.381621746,3.40E-11,5.96E-43,2.02E-96,1.32E-171,1.66E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.793087398,4.303390768,4.162070825,12.36072097,3.2178042,3.335794976,3.751678193,4.888419544,2.181438163,2.519143272,2.21E-10,3.87E-42,1.31E-95,8.54E-171,1.07E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.361918399,3.977741653,1.069628611,6.271838234,1.000341038,0.793728935,0.970474878,1.401573278,0.401825701,0.387051908,3.37E-11,5.91E-43,2.00E-96,1.30E-171,1.64E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.748236975,4.257095599,5.295221807,16.09625915,4.926011656,4.846417588,5.074454609,7.106839781,3.266668991,2.973911168,2.56E-10,4.50E-42,1.52E-95,9.93E-171,1.25E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.48411676,4.512394242,4.595642426,9.722707044,1.652774087,2.499830292,3.537707717,2.753926161,1.829983411,4.208175198,3.79E-10,6.65E-42,2.25E-95,1.47E-170,1.85E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.800096399,1.284945341,0.552908154,0.603735802,0.277050285,0.531915669,0.509643496,0.410262206,4.637949894,5.856623709,12.48392101,0.405603703,1.451821371,3.100166461,0.672287146,0.15671345,0.789013655,0.171101696,0.652141255,0.140431633,0.032423057,3.929167057,2.675396283,6.931185837,0.683520482,0.824995945,2.625163578,0.960614226,0.327016505,0.670917858,0.245505935,0.467441484,0.284261968,0.142778247,3.912794308,3.694378003,8.431832551,0.506376788,0.8944817,2.913668466,1.247984359,0.533799821,0.620529837,0.265785741,0.575926829,0.482070027,0.381949116,4.695452647,5.857702208,12.49416453,0.430794756,1.439945972,2.508159296,1.084548083,0.404556555,0.627469023,0.27132261,0.427005334,0.360213978,0.219077431,3.997263935,4.173672679,9.271419186,0.441203535,1.006296743,2.858985779,1.317464099,0.577555986,0.601384571,0.277127151,0.554531264,0.536468595,0.447728124,4.754005864,6.178744751,13.10817942,0.402076857,1.538727983,2.913848976,1.253555545,0.534858774,0.619669464,0.266585571,0.575995126,0.486315941,0.383435906,4.702263294,5.881644412,12.53757113,0.429504196,1.445746974 +UMLS0233,L,3-Methylbutan-1-ol,CC(C)CCO,31260,"Sandia values from the co-optima database from source dissertation (Incorporation of Higher Carbon Number Alcohols in Gasoline Blends for Application in Spark-Ignition Engines, page 194)",Sandia,,C5H12O,PubChem,,12,0,-0.5163,0.26656569,35.4649,26.352688,0,0,26,10,16,0,8,0,2,0,0,0,0,0,0,0,1682.305994,1635.790101,1887.781373,1640.907548,1482.462883,1137.947589,898.906268,504.414626,275.495641,4318.256679,5285.075779,6501.791035,6296.400774,5594.769414,4721.063408,3654.726637,2682.582579,1881.72051,194.522984,189.22686,344.824556,416.345288,339.266596,316.9281,265.94048,203.151368,145.901476,30.71141448,38.56812896,51.29106537,51.30685889,44.65060616,38.83004553,30.87189014,23.25443575,18.37047215,4343.939853,3670.756885,7358.856922,9431.398662,7423.366057,7022.167554,6097.165481,4591.973822,3507.196353,99.27777778,65,116.0833333,122.25,118.3333333,106.6666667,82.75,62,31,64.70407669,65.43160404,41.0387255,29.3019205,32.94361962,27.09399021,24.96961856,18.68202319,13.11884005,166.0867953,211.4030311,141.3432834,112.4357281,124.3282092,112.4062716,101.5201844,99.35491033,89.60573856,7.481653231,7.5690744,7.496186,7.434737286,7.539257689,7.545907143,7.387235556,7.524124741,6.947689333,1.181208249,1.542725158,1.11502316,0.916193909,0.992235693,0.924524894,0.857552504,0.861275398,0.874784388,167.0746097,146.8302754,159.9751505,168.4178333,164.9636902,167.1944656,169.3657078,170.0731045,167.0093502,3.818376068,2.6,2.523550725,2.183035714,2.62962963,2.53968254,2.298611111,2.296296296,1.476190476,0.273574206,-0.162254146,0.057624304,-0.02632382,0.002474769,-0.011954994,0.032736479,-0.040945026,0.002582409,882.3953095,-16.00761486,-51.54279203,75.18041669,-154.503831,-252.6188393,6.470782485,-259.122557,-45.6104834,1232.223078,-150.640033,-371.3571158,241.0698199,-166.9058405,-214.9172425,14.83699372,-114.8847827,-138.4201997,2.012233846,0.022008994,0.808429041,-0.424900592,-0.474928426,-0.612785751,-0.20596071,-0.583615148,0.13505974,5.44084932,-1.061852848,-2.005132993,1.105999017,-0.657110377,-0.504096155,-0.07134843,0.341578662,-0.69676274,30.33541873,-6.445201195,-11.10342427,5.842720531,-3.629174365,-2.203469511,-0.733465935,3.112537506,-3.852690322,38.76068376,-0.387409599,11.59648258,-5.238823143,-8.060157791,-13.74161736,-0.514792899,-9.4117357,2.071499014,0.010522085,-0.006490166,0.001252702,-4.70E-04,5.50E-05,-2.85E-04,9.09E-04,-0.001516482,1.23E-04,33.93828114,-0.640304595,-1.120495479,1.342507441,-3.433418466,-6.014734268,0.179743958,-9.59713174,-2.171927781,47.39319532,-6.02560132,-8.072980778,4.304818212,-3.709018678,-5.117077203,0.412138715,-4.254991951,-6.591438079,0.077393609,8.80E-04,0.017574544,-0.007587511,-0.010553965,-0.014590137,-0.005721131,-0.021615376,0.006431416,0.209263435,-0.042474114,-0.043589848,0.019749982,-0.014602453,-0.012002289,-0.001981901,0.012651062,-0.033179178,1.166746874,-0.257808048,-0.241378788,0.104334295,-0.080648319,-0.05246356,-0.020374054,0.115279167,-0.183461444,1.490795529,-0.015496384,0.252097447,-0.093550413,-0.179114618,-0.327181366,-0.014299803,-0.348582804,0.09864281,-0.616813678,0.119054567,-0.044674437,0.005226614,-0.027051932,0.086422669,-0.144123763,0.011687023,-0.018866736,-0.033015681,0.03955732,-0.10116654,-0.17722566,0.005296201,-0.282781903,-0.063996399,-0.127140643,-0.170340504,0.090831989,-0.078260574,-0.107970715,0.008696158,-0.089780651,-0.139079841,0.011375096,0.227080046,-0.098037947,-0.136367396,-0.188518626,-0.073922522,-0.279291482,0.083100093,-0.202969591,-0.20830131,0.094378564,-0.06978024,-0.057354929,-0.009470842,0.060455194,-0.1585522,-0.220963136,-0.206881881,0.089423248,-0.069122379,-0.044965674,-0.017462274,0.098803922,-0.157241856,-0.010394708,0.169102632,-0.062752008,-0.120147005,-0.219467633,-0.009592062,-0.233823349,0.0661679,1.623150227,0.925271279,1.207795154,1.252212987,1.150496934,0.945966809,1.129264093,0.143192233,1.12464819,1.047900149,0.930640842,1.125497408,1.194656425,0.937914506,1.279122766,0.816675925,1.503536455,1.251118583,0.81781684,1.049666319,1.027726997,0.874721933,0.94936449,1.087501242,0.708875861,0.715496191,1.194864321,1.334523489,1.467702534,1.112102908,1.606034345,0.070154205,1.687517838,1.321076151,0.799895278,1.045874025,0.970261852,0.871561688,0.780064773,1.101045148,1.716599977,1.324714486,0.806585751,1.053807498,0.96727322,0.878172915,0.750933124,1.072711316,0.578335171,0.497369493,1.005867066,1.59991731,1.800578831,1.048844634,1.564682102,0.08446212,56.16223156,28.33111578,44.58317295,56.56223156,5.656223156,28.33111578,0.5,0.174661586,0.017466159,-1.744904974,49.08128707,4.908128707,3.893477843,56.17586174,28.33719645,44.59140359,56.57468667,5.657468667,28.33719645,0.498531158,0.174400498,0.01744005,-1.746400915,49.11503685,4.911503685,3.894165238,68.38541073,33.79371089,52.46916795,67.74701957,6.774701957,33.79371089,-0.797988956,0.043224377,0.004322438,-3.141350662,54.19008308,5.419008308,3.992497923,56.19016729,28.34357844,44.60004342,56.58775897,5.658775897,28.34357844,0.4969896,0.174126499,0.01741265,-1.747973238,49.15061269,4.915061269,3.894889312,81.52709482,39.68125315,61.9148761,79.795424,7.9795424,39.68125315,-2.164588529,0.218542696,0.02185427,-1.520773879,339.0614638,33.90614638,5.8261814,57.59171293,28.96899065,45.4532935,57.86872762,5.786872762,28.96899065,0.346268372,0.147421352,0.014742135,-1.914460454,53.61553024,5.361553024,3.981838769,56.72145246,28.60250206,46.39485374,57.39275727,5.739275727,28.60250206,1.175198413,0.311673945,0.031167395,-1.165797685,40.5042466,4.05042466,3.701406823,0,11.89,15.99591866,-0.315935821,0.261476507,4.154010022,7.132818625,9,25,24,24,8,1,1,0,0,1,20.365312,3.56033902,3.29307941,3.008776862,2.667207329,2.086998322,1.888615365,1.510894416,1.168027777,1.872042728,1.668135968,1.557633873,1.18177923,0.89205759,0.775850762,0.566533513,0.390769295,3.503868833,3.242001221,3.022284937,2.627037221,2.09365378,1.843069566,1.56096688,1.277473949,1.828227031,1.647439946,1.48794273,1.148461388,0.829681516,0.670483442,0.47628009,0.360257976,3.660149323,3.445207531,3.215996408,2.881237173,2.42740193,2.22812728,1.980635824,1.757957422,1.63603894,1.391453152,1.232244326,0.832154155,0.414010637,0.229680515,0.00674414,0.173985825,3.509648174,3.235336266,3.046402375,2.629060967,2.116598692,1.879312381,1.609363621,1.35803469,1.810216225,1.63463559,1.443518759,1.128765491,0.779092146,0.607844841,0.415874258,0.26798367,3.696031933,3.489934091,3.293859041,2.946528113,2.542125953,2.352097872,2.13423319,1.954458698,1.589385676,1.345156527,1.155932847,0.766678741,0.306928937,0.094774632,0.150489402,0.362448621,4.959434087,3.461926318,3.411525631,3.025528225,2.617479367,2.361965163,1.849978941,1.595098544,1.739404554,1.399840359,1.313273175,0.857031449,0.49569111,0.401775707,0.150724585,0.216943107,0,0,1,0,0,3,4,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.40824829,0.49279928,0.348461713,0.083333333,0.100592232,0.071129449,7.819990956,4.808060412,3.389628766,2.08195123,1.379936127,0.637136847,0.420630496,0.144337567,0.781999096,0.534228935,0.376625418,0.260243904,0.197133732,0.127427369,0.105157624,0.072168784,6.852030487,3.964690378,2.262127951,1.289779436,0.752493989,0.350261893,0.189177501,0.072168784,0.685203049,0.440521153,0.25134755,0.16122243,0.107499141,0.070052379,0.047294375,0.036084392,13.76422064,25.76402039,24.50196078,24.88,15.34891497,200.5350826,0.529393102,0.990923861,0.942383107,0.956923077,0.590342883,7.712887794,2.1298,40.775,31.26412072,48.34375653,62.52824143,6.252824143,31.26412072,0.070144679,0.007014468,-2.65719533,225.9137237,22.59137237,5.420153173,107,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,1,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.44515306,-0.059305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.644529478,0.5125,0,0,0,0,0,0,0,0,0,0,3.947296391,0,4.33352277,0,0,0,0,0,0,-0.059305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.69565193,4.749501134,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.749501134,-0.059305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252862812,0.5125,0,0,0,0,0,0,0,0,0,0,1.831072137,0,0.504918981,0,0,0,0,0,0,-0.059305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.69565193,4.749501134,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.69565193,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,2.116224254,0,1.1521875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.69565193,4.749501134,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.66666667,2.366666667,0.555902778,10.69565193,0.217369615,-0.059305556,3.802352099,1.725972222,3.695651927,10.12275463,1.725972222,3.695651927,10.12275463,4.66666,0.46667,0,0.03333,0.51282,0.85333,0.425,0.51282,0.85333,0.08782,0,-0.08782,0,0.54687,0.16742,0,0.28571,0.10714,0,6.75,0.675,5.25,0.525,1.5,0.15,-3.75,-0.375,0,0,8.3728,0.83728,11.45959,3.08679,0.30868,3.72862,0.37286,4.80805,1.07943,0.10794,0.10595,0.01059,0.10595,0.01059,0,9.02,2,2,2,2,0,0,0.875,1.238901257,1.979097891,3.353533949,3.87314068,3.763342488,3.767183468,32.21143267,51.45654517,87.19188266,100.7016577,97.8469047,97.94677017,0.263571353,0.421045266,0.713451113,0.823995394,0.800636263,0.801453416,3.461538462,2.721341827,1.34690577,0.827299039,0.93709723,0.93325625,0.263571353,0.421045266,0.713451113,0.823995394,0.800636263,0.801453416,11.26589917,20.45555991,24.69655503,24.37467578,25.10957033,23.10318924,36.56521118,22.92976312,18.56715459,17.82003088,17.21297165,19.79013004,10,7.111111111,7,10,3,6,2.12,1.3102,0.125,3.055210537,0.516397779,0,4.329638386,2.305269779,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,4.356,9,8,7,5,4,2,1,0,0,55,2.397895273,2.48490665,2.397895273,2.302585093,1.945910149,1.791759469,1.098612289,0.693147181,0,0,4.17438727,1.163636364,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0.666666667,8,0.888888889,0,4,8,1,1.5,0.666666667,0.375,0.16,0.111111111,0.040816327,0.03125,0,0,0,0.166666667,0.074074074,0.046875,0.022857143,0.022222222,0.010204082,0.015625,0,0,0,0.358524187,31.26412072,48.34375653,62.52824143,6.252824143,31.26412072,0.070144679,0.007014468,-2.65719533,225.9137237,22.59137237,5.420153173,26.3,161.8683304,4.321928095,3.610917913,4.262679877,4.96284463,5.638354669,6.350885717,7.03438793,7.751475318,8.43793351,9.156834104,76.20631367,2.944438979,0,4.007333185,0,5.231108617,0,6.532334292,0,7.874358825,8.183955717,144.1150298,5.54288576,18.65329825,1.865329825,5.301747397,5.301747397,0,150,8,2.624,36,1.2352,2.12158241,2.850713799,3.661376198,4.880759405,5.809153667,7.086863467,8.147945975,9.28620867,10.27007912,91.62129167,95.93343221,95.41632704,144.7588151,150.4518542,168.4675484,148.2218311,119.9326994,46.21406189,10.43505767,284.102958,319.4930971,349.6091066,517.7083256,593.1384217,648.4451542,751.940026,780.306911,566.049426,319.2325147,9.406569307,16.00720838,21.25906386,27.67428982,36.94008712,43.17529876,53.53015921,56.77542536,63.71273011,68.99915686,2.0225454,2.472849366,2.775478107,4.019029038,4.770774279,5.324750446,6.395323298,7.473591346,6.346995654,4.566209711,179.5630998,336.2821431,476.5279629,591.2165145,808.4854805,972.0827604,1196.956326,1348.073345,1611.748918,1899.118917,3.300023333,5.608678105,6.342263329,9.700999642,12.54496278,13.83330023,16.51586393,12.41530515,12.60228477,10.27007912,0.4520484,0.576500663,0.65524002,0.947359755,1.141852188,1.275997,1.514144833,1.61635436,1.407199839,1.051656102,413.6377967,347.8547254,13.21628724,181.7679449,-152.8603988,-19.40609815,231.8698518,500.7151242,32.62238538,0.694715835,0.584231392,0.022197111,0.305284165,-0.256733162,-0.032593065,246.2823191,207.1147008,7.869053303,108.225678,-91.01395911,-11.55450226,0.310881643,0.375631365,1.525182115,3.786934401,550.942609,44.46313263,0.92532297,0.07467703,710.1477289,26.64859713,8.921740098,865.1403062,29.41326752,9.52859457,1206.829674,34.73945414,10.6467076,2.516319101,2.516319101,1384.350724,1316.968261,90.77032608,1.051164835,15.25113751,14.50879729,4.892822753,5.645455692,10.96738828,0.942693181,4.475634913,6.190062996,3.832751298,21.14661438,9.369673121,1.753246829,5.635879024,8.453112546,9.885500428,1.344439828,4.314933598,3.639491596,4.182335764,0.676068309,2.8818695,6.80655065,4.711386858,0.404758153,3.653867229,0.012306063,1.860704562,9.58E-13,9.84E-47,1.95E-102,7.44E-180,5.49E-279,0,0,0,0,0.392116545,6.340943917,0.330720953,5.406239159,0.225538147,1.674962566,0.800181695,0.539421956,3.461480306,0.036201083,2.729625704,1.096556164,0.580222191,0.010941517,0.114235158,1.68785838,0.220578163,0.260598605,0.026123061,0.001024644,0.013105094,6.74E-15,6.93E-49,1.37E-104,5.24E-182,3.86E-281,0,0,0,0,1.218382569,6.059867195,0.815643206,6.411097846,0.873229926,1.528406995,1.405314455,1.374328913,3.630735394,0.167354168,2.505701871,0.953322755,0.940064244,0.054813652,0.322494951,2.291475213,0.827244371,0.286844231,0.269170768,0.003313025,0.136565187,7.03E-14,7.22E-48,1.43E-103,5.46E-181,4.03E-280,0,0,0,0,4.229749369,6.340617585,4.09638297,21.02628549,8.899522602,1.831372621,5.608432634,8.235526094,10.57144737,1.216278306,4.34688063,3.790412671,4.811376703,0.604781177,2.888916196,6.337099882,4.326793768,0.394807685,3.255797214,0.01161033,1.657854265,8.53E-13,8.76E-47,1.74E-102,6.63E-180,4.89E-279,0,0,0,0,1.788089992,5.953072815,1.075036198,7.468384642,1.547694228,1.483295947,1.865438566,2.041602081,3.864927582,0.297734114,2.530708134,1.025183536,1.049627932,0.112315832,0.494626174,2.836845821,1.335748186,0.30580536,0.58371926,0.004888201,0.296637836,1.53E-13,1.57E-47,3.11E-103,1.19E-180,8.75E-280,0,0,0,0,5.405000361,6.285574082,5.16383164,28.31599313,13.66247707,1.866733875,7.317787626,11.72206996,12.88728818,1.873546499,5.194510979,4.923928242,5.893576783,0.981588251,4.197583071,8.721941853,6.259882879,0.442877753,5.327555797,0.014887835,2.713662731,1.40E-12,1.43E-46,2.84E-102,1.09E-179,8.00E-279,0,0,0,0,2.836919372,6.278774352,3.269924049,19.21832789,5.784411232,1.970557574,4.618936225,7.10258479,13.68767251,0.560511776,3.781850164,6.083067941,7.010534328,0.26073907,1.877471901,4.367467845,2.189260674,0.474343939,1.35076828,0.009047112,0.686919293,3.54E-13,3.63E-47,7.19E-103,2.75E-180,2.03E-279,0,0,0,0,11.87177934,0.812705515,0.446274473,0.904119788,0.061893261,0.568696436,0.529058771,0.538444491,13.13075933,15.30902234,32.74555407,0.856179682,1.636199698,9.213731445,0.569241033,0.081101428,0.934069588,0.057708513,0.343116477,0.257282584,0.017782542,9.864073907,6.038247049,16.32768449,0.901104381,0.618181603,10.61117351,0.594813077,0.228378418,0.92800724,0.052019773,0.454475143,0.283374477,0.141009043,11.43436501,8.870870255,21.74668327,0.89201086,0.878858663,11.61893406,0.821062531,0.425105011,0.903135818,0.063820913,0.544804202,0.540071396,0.48857281,12.8651016,14.82817629,31.74872503,0.854703727,1.573448408,11.21279975,0.628340433,0.30183686,0.92339792,0.051745172,0.507328449,0.316266159,0.246309632,12.14297704,10.61954802,24.88910321,0.885096881,1.06990424,11.97464876,0.846861061,0.471148428,0.900846808,0.063708932,0.57859677,0.574467513,0.600139675,13.29265825,16.18169795,34.25220822,0.851270213,1.753203958,11.67023965,0.832925123,0.428294123,0.902468913,0.064410762,0.549669023,0.55575948,0.495930795,12.93145889,15.07546779,32.17013221,0.853703369,1.601359299 +UMLS0234,L,"Hexanoic acid, ethyl ester",CCCCCC(=O)OCC,31265,Co optima database valuese measured by NREL,Sandia,,C8H16O2,PubChem,,1.8,0,-0.5943,0.35319249,28.1502,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1500.364299,1093.539141,892.809884,658.269575,471.635182,127.119888,9.144576,3346.887898,3979.09551,4674.696811,4229.393957,3468.224171,2735.992706,1994.669063,1120.963057,279.7536999,152.568096,145.6753,259.36554,290.811108,225.629696,202.915748,133.768576,111.43008,60.466176,23.35516286,28.53615172,35.91568508,33.79709197,28.20421271,22.72114496,16.77380788,10.95324725,4.001516144,3350.680532,2804.677982,5510.452524,6441.739092,4987.659569,4623.723082,2984.992532,2583.794029,1664.258868,90.77777778,54.58333333,100,94.58333333,74.33333333,65.16666667,51.5,39,9,69.4856748,68.35965826,44.12836174,28.77734582,29.76032947,24.38035463,26.20195456,8.4746592,1.016064,167.3443949,209.4260795,137.4910827,111.299841,115.6074724,101.3330632,110.8149479,74.73087045,31.08374443,7.6284048,7.667121053,7.628398235,7.652923895,7.520989867,7.515398074,7.431587556,7.428672,6.718464,1.167758143,1.501902722,1.056343679,0.889397157,0.940140424,0.841523887,0.931878216,0.730216483,0.444612905,167.5340266,147.6146306,162.0721331,169.5194498,166.255319,171.2490031,165.8329184,172.2529352,184.917652,4.538888889,2.872807018,2.941176471,2.489035088,2.477777778,2.413580247,2.861111111,2.6,1,0.263471322,-0.1595639,0.081759253,-0.050728747,-0.003630118,-0.00962487,0.021262404,-0.018112694,0.006903012,715.056216,-13.739645,42.068427,-154.431627,-119.176036,-36.355609,-96.096818,-187.1568,207.36,931.2646053,-148.2416011,-210.4695091,25.37537669,-155.2107675,107.2342175,-152.1352724,-196.0622248,263.877478,1.9334688,0.00145024,0.75963024,-0.78358752,-0.3222448,-0.41465248,-0.13838432,-0.2779776,0.20903184,4.097118945,-1.072153629,-1.377869305,0.629194129,-0.682853157,0.777756017,-0.675710977,-0.537017433,0.890094883,23.01673804,-6.548761719,-7.89227958,3.964362048,-3.836123006,4.554831377,-3.721214278,-2.432661993,4.403478133,37.42222222,-0.895555556,14.03222222,-11.47444444,-5.7,-6.536666667,-2.563333333,-9.183333333,3.61,0.013173566,-0.0083981,0.002404684,-0.001334967,-1.21E-04,-3.56E-04,0.001181245,-0.001207513,7.67E-04,35.7528108,-0.723139211,1.237306676,-4.063990184,-3.972534533,-1.346504037,-5.338712111,-12.47712,23.04,46.56323026,-7.80218953,-6.190279679,0.667773071,-5.173692252,3.971637685,-8.451959578,-13.07081499,29.31971978,0.09667344,7.63E-05,0.022342066,-0.020620724,-0.010741493,-0.015357499,-0.007688018,-0.01853184,0.02322576,0.204855947,-0.056429138,-0.040525568,0.01655774,-0.022761772,0.028805778,-0.037539499,-0.035801162,0.098899431,1.150836902,-0.344671669,-0.23212587,0.104325317,-0.127870767,0.168697458,-0.206734127,-0.162177466,0.489275348,1.871111111,-0.047134503,0.412712418,-0.301959064,-0.19,-0.242098765,-0.142407407,-0.612222222,0.401111111,-0.637496327,0.182538569,-0.1013368,-0.009185359,-0.027059998,0.089667799,-0.091661814,0.058222759,-0.02022608,0.034607256,-0.11366911,-0.111111111,-0.037661488,-0.149322864,-0.348982911,0.644424857,-0.167561174,-0.132943519,0.01434121,-0.111111111,0.085295579,-0.181515748,-0.280711087,0.629675382,7.90E-04,0.231108626,-0.213302891,-0.111111111,-0.158859551,-0.079525646,-0.191695258,0.240249649,-0.275457653,-0.197824707,0.080826261,-0.111111111,0.140614802,-0.183248274,-0.174762621,0.482775496,-0.299496539,-0.201701796,0.090651696,-0.111111111,0.146586765,-0.179638076,-0.140921329,0.425147427,-0.025190649,0.22057077,-0.161379547,-0.101543943,-0.129387701,-0.076108472,-0.32719715,0.214370546,1.614770191,0.88688163,1.215119583,0.971888758,1.073202003,0.817645177,0.673700192,0.003845996,1.04922138,0.951186959,1.105288984,1.055555556,0.977734979,1.058345506,1.240515037,0,1.505949528,1.1618184,0.862503782,1.055555556,0.766062269,1.134803606,1.088878456,0,0.713221749,0.738250888,1.413593537,1.055555556,1.206469334,0.892577113,1.154931696,0,1.749688453,1.254801494,0.776384745,1.055555556,0.677559111,1.138918354,0.941917017,0,1.787392882,1.264308948,0.773970285,1.055555556,0.670008885,1.130344134,0.902603949,0,0.583432304,0.465617141,1.193586698,1.046466746,1.175277118,1.425611144,1.929334917,0,34.50014801,17.500074,27.93741811,34.87514801,4.359393501,17.5000741,0.5,0.18607285,0.023259106,-1.345293613,41.62163315,5.202704143,2.982896048,34.51364406,17.50608761,27.94750404,34.88754243,4.360942803,17.5060877,0.498531158,0.185850434,0.023231304,-1.346250439,41.74045697,5.217557121,2.98517668,46.52825888,22.86513496,37.3041145,45.92976716,5.741220895,22.86513496,-0.797988956,0.044440943,0.005555118,-2.490875276,27.85083888,3.48135486,2.66149047,34.5278086,17.5123991,27.95809097,34.9005508,4.362568849,17.51239919,0.4969896,0.18561719,0.023202149,-1.347255077,41.86680104,5.23335013,2.98759454,59.33203958,28.58372553,47.69962126,57.70859819,7.213574773,28.58372553,-2.164588529,0.031846802,0.00398085,-2.75745465,26.55665637,3.319582047,2.623424342,35.91442872,18.13034855,29.00125913,36.17413,4.52176625,18.13034859,0.346268372,0.163702022,0.020462753,-1.447765953,94.39914485,11.79989311,3.638025611,33.51626502,17.03992162,27.81795691,34.10316978,4.262896222,17.03992181,1.173809524,0.329501074,0.041187634,-0.888140533,26.038756,3.2548445,2.607668835,0,11.89,15.99591765,-0.31586015,0.301592178,3.682449468,6.502824698,7,19,18,18,6,1,1,0,0,1,15.992484,3.500630443,3.250120499,2.714895856,2.141477353,1.917060997,1.332129405,0.948258328,0.083923071,1.821305047,1.569929961,1.371148277,0.906015277,0.595941221,0.456559797,0.083923071,0.083923071,3.417552268,3.192262627,2.725476731,2.092255199,1.868778465,1.379458315,0.603774058,0.270913902,1.780485008,1.574600976,1.289549175,0.829987484,0.601206544,0.419560757,0.270913902,0.270913902,3.602695513,3.393823465,2.963492019,2.454301051,2.244300135,1.840352289,1.22636372,0.943918427,1.563920922,1.317994844,0.980116579,0.409179076,0.172888313,0.099689239,0.943918427,0.943918427,3.421095,3.17469022,2.75326062,2.103666874,1.879646004,1.450770231,0.459589502,0.399277246,1.766306475,1.572972777,1.236896556,0.790655613,0.592160761,0.326861,0.399277246,0.399277246,3.637317587,3.430233647,3.056783369,2.550498221,2.34400438,2.023192543,1.208936353,1.207644823,1.513561485,1.284205674,0.888020188,0.303971082,0.086507277,0.282295867,1.207644823,1.207644823,4.861486978,3.463495406,3.097686348,2.797756057,2.362714722,1.756646356,1.451447193,0.590163934,1.683714577,1.233045469,1.095116549,0.567908076,0.202127915,0.13822051,0.590163934,0.590163934,0,0,1,0,0,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.083333333,0,0,0,0.288675135,0.204124145,0.144337567,0.058925565,0.041666667,0.029462783,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,5.437816924,2.904030206,1.693596727,0.803216163,0.36023509,0.17380035,0.101631566,0,0.679727116,0.414861458,0.24194239,0.160643233,0.090058773,0.05793345,0.050815783,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.3496,31.541,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.73967971,-0.181990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.51231576,0.5125,0,0,0,0,0,0,0,0,0,0,3.485273998,0,2.623703704,0,0,0,0,0,0,-0.181990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.09634637,4.643333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.643333333,-0.181990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272454649,0.5125,0,0,0,0,0,0,0,0,0,0,1.42625,0,0.575231481,0,0,0,0,0,0,-0.181990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.09634637,4.643333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.09634637,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,2.059023998,0,1.076666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.09634637,4.643333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.66666667,2.583333333,0.644975907,10.09634637,0.265555556,-0.181990741,2.795924247,1.848657407,3.096346372,8.597407407,1.848657407,3.096346372,8.597407407,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.36364,0.13636,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,5.67104,0.70888,8.40872,2.73768,0.34221,2.65409,0.33176,3.77005,1.11596,0.1395,0.14395,0.01799,0.14395,0.01799,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,2.070950594,3.346439345,3.546439345,3.546439345,3.33034294,25.90923688,41.41901189,66.92878689,70.92878689,70.92878689,66.6068588,0.299741647,0.479172848,0.774293156,0.820568799,0.820568799,0.770568799,3.026466251,2.2509775,0.97548875,0.77548875,0.77548875,0.991585155,0.299741647,0.479172848,0.774293156,0.820568799,0.820568799,0.770568799,12.01211119,21.71746765,24.10215464,24.30371965,24.30371965,21.71056279,29.38046565,17.93632218,16.22221018,15.69343894,15.69343894,14.39686051,8,5.142857143,7.2,8,3,4,1.9,1.0284,0.166666667,2.249576847,0.894427191,0,2.381101578,1.040041912,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,3.358,7,5,4,3,2,0,0,0,0,36,2.197224577,2.302585093,1.945910149,1.791759469,1.609437912,1.386294361,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,26.3,127.2763612,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,116.0837296,5.804186481,14.66595917,1.833244896,5.216499833,5.216499833,0,79,5,1.591,28,1.230631579,2.107918638,2.853134227,3.653882031,4.795544934,5.791635925,6.965917857,7.802462487,0,0,94.58963281,102.4202046,93.08542556,129.2091942,130.5922439,168.5364061,60.43670856,7.927801245,0,0,279.0386343,309.1169811,342.8944298,473.8583665,524.7238099,693.1158109,534.6753242,242.5297499,0,0,9.500427541,16.20331326,21.89434951,27.60499927,36.18808614,42.9893138,51.67451113,52.42056333,0,0,1.953218228,2.32659121,2.676717754,3.746180655,4.266250977,5.749000252,5.217158362,3.469075511,0,0,180.0610686,338.5646481,480.5209183,596.6441771,815.1385625,947.475228,1193.44104,1442.813043,0,0,3.636017544,6.534565569,7.21519877,9.181540495,11.75277701,16.64968367,17.97858853,7.802462487,0,0,0.448387105,0.565067128,0.656599323,0.896429878,1.031118231,1.349466149,1.261537936,0.798972159,0,0,368.5735154,269.1589328,13.11073224,178.9509508,-130.6828758,-20.90325156,189.6225647,399.8418086,34.01398381,0.673163554,0.491592521,0.023945473,0.326836446,-0.238679518,-0.038177749,201.8030173,147.371101,7.178446674,97.9800238,-71.55207181,-11.44504165,0.35372805,0.432473349,3.203789809,3.76880309,490.5942831,56.9301831,0.896022577,0.103977423,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,950.3028124,30.82698189,9.831520102,2.061351231,2.061351231,726.0954081,669.3967886,73.42801577,1.084701063,9.888533695,9.116367664,4.221732772,4.466158665,8.529789551,0.90987159,3.360032699,4.293028381,3.358213502,13.95267678,5.337512191,1.4668465,4.780520974,6.791104618,1.499396077,2.959560315,2.860596092,1.474822786,1.556683321,3.682205535,0.042739644,1.946808283,5.00E-10,2.63E-41,2.68E-94,5.24E-169,1.98E-265,0,0,0,0,0,0,0,0,0,0.298491782,4.443993512,0.305851083,5.050066213,0.242949038,1.325449919,1.705210947,0.489461561,0.256847795,0.230835515,2.014191352,0.105201593,0.225186518,0.02601786,0.003584233,0.01371153,3.52E-12,1.85E-43,1.88E-96,3.69E-171,1.40E-267,0,0,0,0,0,0,0,0,0,0.91615042,4.162911006,0.702620295,4.782310664,0.630424497,1.33322088,1.558605959,1.221075909,0.300435373,0.469342688,2.181740782,0.290747713,0.340402237,0.270466581,0.011572061,0.142884713,3.67E-11,1.93E-42,1.96E-95,3.85E-170,1.45E-266,0,0,0,0,0,0,0,0,0,3.176711882,4.44359216,3.657124959,14.11479787,5.465591539,1.466449582,5.499890736,6.669290253,1.451348308,3.347041315,2.807310324,1.471983848,1.461770294,3.280835917,0.040340941,1.734571131,4.45E-10,2.35E-41,2.38E-94,4.67E-169,1.77E-265,0,0,0,0,0,0,0,0,0,1.342655413,4.056109269,0.901783862,5.162670851,0.920066577,1.343459173,1.538245683,1.771328398,0.390809739,0.558472177,2.298327498,0.4177826,0.455337269,0.587284735,0.017056828,0.310364691,7.97E-11,4.20E-42,4.27E-95,8.36E-170,3.16E-266,0,0,0,0,0,0,0,0,0,4.057749124,4.38850086,4.574267035,18.32275477,7.781645779,1.525635399,6.34198771,9.287309528,2.04425206,4.294955111,3.060892419,1.971950235,2.137275882,5.369880395,0.05162282,2.839236917,7.29E-10,3.84E-41,3.90E-94,7.65E-169,2.89E-265,0,0,0,0,0,0,0,0,0,2.093644735,4.477232829,2.900511373,16.02163727,3.696245843,1.377734061,7.035654087,5.519217841,1.160750809,2.729436661,2.661059819,1.348778181,1.058098963,1.282864034,0.029760058,0.678060611,1.74E-10,9.17E-42,9.32E-95,1.83E-169,6.90E-266,0,0,0,0,0,0,0,0,0,7.373998833,0.81450762,0.414987615,0.857093499,0.094671724,0.567195166,0.484713935,0.499981437,8.603494067,9.404307002,20.50029065,0.785640248,1.551890538,6.001986767,0.580757656,0.072022644,0.901907866,0.087269419,0.384761524,0.225879396,0.015059888,6.654767067,3.959806425,10.86562281,0.8528618,0.625700807,6.672986432,0.613460714,0.210524282,0.890090952,0.081827805,0.466313652,0.27735114,0.128673169,7.496971428,5.627589072,13.98636586,0.835136427,0.872337961,7.237144103,0.826795896,0.391942828,0.855870907,0.097777596,0.547041793,0.502979387,0.445994038,8.455882827,9.144244493,19.94537251,0.78380636,1.496015218,6.99501676,0.63818221,0.281990891,0.883745922,0.08062753,0.510685567,0.298771665,0.230862698,7.91518986,6.616587827,15.79061188,0.825618883,1.04031993,7.43323504,0.847294052,0.437491478,0.852628757,0.097188811,0.576332855,0.524427695,0.555677491,8.718020569,9.920796747,21.39419807,0.778943135,1.656438041,7.313177127,0.840097406,0.395511045,0.855463862,0.098270965,0.558779481,0.519745651,0.454151592,8.548785578,9.368491264,20.34721014,0.783195793,1.532676724 +UMLS0235,L,Butyl acetate,CCCCOC(=O)C,31272,MON from [11],"Sandia, UML","[9], [11]",C6H12O2,PubChem,,0.9,0,0.2153,0.04635409,33.6077,23.259102,0,0,23,9,14,0,7,0,2,0,0,0,0,0,0,0,1536.009745,1467.311804,1815.138845,1356.842014,1142.591153,844.903968,816.150476,245.0952,18.289152,3832.572288,4632.085644,5813.371337,5738.109533,4666.711802,3477.31635,2868.375069,1962.172413,559.5073998,173.54554,167.45108,302.118764,356.091016,349.120604,272.06292,156.107072,162.393984,120.932352,27.03328867,33.55214034,44.60979951,46.83220926,40.35647404,28.66848204,22.59436852,17.90497835,8.003032287,3847.310193,3237.717434,6440.121636,7729.923621,8125.360835,6262.453633,3386.191035,3503.329189,3328.517736,96.30555556,61,110.4166667,113.6666667,99.05555556,81.83333333,65,69,18,66.78303239,66.69599109,45.37847112,28.86897902,23.80398235,23.46955467,38.86430838,11.6712,1.016064,166.6335777,210.5493475,145.3342834,122.0874369,97.22316254,96.59212084,136.589289,93.43678159,31.08374443,7.545458261,7.611412727,7.5529691,7.576404596,7.273345917,7.557303333,7.433670095,7.733046857,6.718464,1.175360377,1.525097288,1.115244988,0.996429984,0.840759876,0.796346723,1.07592231,0.852618017,0.444612905,167.2743562,147.1689743,161.0030409,164.46646,169.2783507,173.9570454,161.2471921,166.8251995,184.917652,4.187198068,2.772727273,2.760416667,2.418439716,2.063657407,2.273148148,3.095238095,3.285714286,1,0.267223832,-0.160350649,0.086617972,-0.07158892,0.028090694,-0.047443905,0.060777726,-0.043679404,0.01396457,799.1117029,-15.00476101,115.5881665,-452.8744297,128.8793721,14.1804749,-1.71034462,-578.2051731,389.5908434,1081.795272,-149.5950004,-66.47700414,-457.8567881,16.62349154,360.6377998,-105.9878193,-655.5397312,517.2974161,1.975925913,0.013204083,0.812761369,-0.810222866,0.066746442,-0.67692369,-0.005039138,-0.737355834,0.348866677,4.769103567,-1.066326256,-0.682196631,-1.267374646,-0.645870812,2.253249883,-0.822703413,-1.963056398,1.80972649,26.67799994,-6.490143964,-4.002168585,-5.854120824,-4.766507204,13.04471227,-5.09057928,-9.251533227,9.07134085,38.38164251,-1.558286074,15.69376181,-13.94533711,0.411258139,-8.68068683,3.626181474,-20.93903592,6.201323251,0.011618427,-0.007288666,0.002165449,-0.001523169,5.85E-04,-0.001317886,0.002894177,-0.002079972,7.76E-04,34.74398708,-0.682034591,2.889704163,-9.635626164,2.68498692,0.393902081,-0.081444982,-27.53357967,21.64393574,47.03457702,-6.799772747,-1.661925103,-9.74163379,0.34632274,10.01771666,-5.047039016,-31.21617768,28.73874534,0.085909822,6.00E-04,0.020319034,-0.017238784,0.001390551,-0.018803436,-2.40E-04,-0.035112183,0.019381482,0.207352329,-0.048469375,-0.017054916,-0.026965418,-0.013455642,0.062590275,-0.039176353,-0.093478876,0.100540361,1.159913041,-0.295006544,-0.100054215,-0.124555762,-0.099302233,0.362353119,-0.242408537,-0.440549201,0.503963381,1.668767066,-0.070831185,0.392344045,-0.2967093,0.008567878,-0.24113019,0.172675308,-0.997096948,0.344517958,-0.627336693,0.186380585,-0.131099369,0.050370223,-0.113430691,0.249102338,-0.179023506,0.066774049,-0.019630291,0.083171346,-0.277332194,0.077279183,0.011337273,-0.002344146,-0.792470352,0.622954864,-0.144569659,-0.035334114,-0.207116432,0.007363152,0.212986218,-0.107304867,-0.663685732,0.611013156,0.006986228,0.236515845,-0.20066139,0.016186169,-0.218874109,-0.002793149,-0.408709756,0.225602632,-0.233753706,-0.0822509,-0.130046371,-0.064892649,0.301854697,-0.188936161,-0.450821443,0.484876929,-0.254335052,-0.0862601,-0.107383707,-0.085611792,0.312396797,-0.208988544,-0.379812267,0.434483761,-0.04244522,0.235110132,-0.177801508,0.005134256,-0.144496014,0.103474782,-0.597505169,0.206450598,1.616503774,0.865191685,1.191426999,0.671543722,1.376530495,1.047810735,1.093519896,0.004168938,1.090358552,0.921021686,1.280474632,0.797246519,0.971271156,0.961733539,1.8361399,0,1.504503624,1.098818674,1.182149628,0.885668815,0.579815593,1.163841646,1.550523893,0,0.709899086,0.71758318,1.323019671,0.726042067,1.544769907,0.798980506,1.8693639,0,1.714180848,1.17704081,1.118315613,0.933384724,0.44453025,1.272906581,1.338521962,0,1.747015013,1.186280531,1.104733948,0.941609089,0.439395449,1.291705128,1.288127277,0,0.611548143,0.444421806,1.145365076,0.731415198,1.158101706,1.228265756,3.111606581,0,42.62129875,21.56064937,34.1586465,43.01018764,4.778909737,21.56064938,0.5,0.111382399,0.012375822,-1.975307367,35.81880674,3.979867415,3.220625775,42.63601283,21.56727199,34.16980779,43.02375928,4.780417698,21.56727199,0.498531158,0.111156753,0.01235075,-1.977132498,35.83882573,3.982091747,3.221128641,55.74614786,27.47407945,44.49970758,55.12548978,6.12505442,27.47407945,-0.797988956,0.038863666,0.004318185,-2.922925955,36.40266122,4.044740136,3.235177694,42.65145577,21.57422268,34.18152335,43.03800324,4.78200036,21.57422269,0.4969896,0.110920094,0.012324455,-1.97905069,35.85993398,3.984437109,3.221658564,69.73352074,33.78446611,55.98536987,68.04995188,7.561105765,33.78446611,-2.164588529,0.126762249,0.014084694,-1.858897801,31.13510988,3.459456653,3.094502506,44.16340824,22.25483831,35.33522176,44.43272809,4.936969787,22.25483831,0.346268372,0.088552544,0.009839172,-2.181743263,38.52385856,4.280428728,3.286149977,45.2760262,22.8898902,37.10904816,45.88373595,5.098192884,22.8898902,1.093877551,0.26609404,0.029566004,-1.19151495,33.27680116,3.697422351,3.154374443,0,11.89,15.99591816,-0.3158537,0.301597273,3.72174632,7.38678967,8,22,21,21,7,1,1,0,0,1,18.178898,3.530650577,3.333707545,2.783488641,2.333552793,2.130847927,1.835350489,1.064569886,0.910835892,1.871314501,1.580724241,1.395006124,1.249629723,0.815265191,0.464826884,0.378640716,0.083923071,3.491950749,3.230908333,2.787190145,2.405454588,2.060868288,1.778246958,1.112381665,0.603720609,1.825384061,1.597132889,1.31799191,1.134540686,0.768710368,0.549685472,0.222194328,0.270913902,3.644709023,3.444106903,3.011059426,2.704236987,2.431112963,2.159896592,1.595625026,1.226320415,1.632584438,1.340309875,1.022947278,0.76031856,0.345239105,0.113445065,0.322613111,0.943918427,3.50326518,3.203015583,2.811430509,2.457539916,2.057320163,1.798324199,1.196040825,0.45958949,1.803194982,1.607309773,1.26888176,1.058262671,0.75225958,0.524505911,0.115968674,0.399277246,3.687599931,3.464858569,3.097239637,2.838982085,2.512466843,2.269670165,1.797568285,1.208936353,1.582211441,1.314339889,0.937499198,0.631337262,0.259790044,0.009399352,0.521896405,1.207644823,4.821892696,3.51678269,3.151527531,2.790720358,2.631436576,2.288243538,1.573328223,1.268241441,1.762806111,1.272463564,1.137837674,0.881436576,0.487076206,5.95E-04,0.125042309,0.583333333,0,0,1,0,0,4,1,1,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.491581624,0,0,0,0.577350269,0.40824829,0.23570226,0.3476007,0.159517797,0.082981826,7.276020882,4.125897658,3.71859736,1.562948829,0.934347711,0.471404521,0.471404521,0,0.808446765,0.515737207,0.413177484,0.260491471,0.186869542,0.11785113,0.11785113,0,6.308060412,3.259872254,2.522565321,1.000526604,0.438356565,0.200832957,0.165963653,0,0.700895601,0.407484032,0.280285036,0.166754434,0.087671313,0.050208239,0.041490913,0,12.22239284,22.87618354,21.77647059,22.12,13.55036048,177.5068275,0.531408384,0.994616676,0.946803069,0.96173913,0.589146108,7.717688154,1.5956,36.088,24.78957267,39.15799293,49.57914534,5.508793927,24.78957267,1.11E-16,1.23E-17,-33.06312051,2000018.186,222224.2429,13.05780015,76,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,1,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.91676682,-0.184583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.784770408,0.5125,0,0,0,0,0,0,0,0,0,0,5.63226096,0,1.520416667,0,0,0,0.615138889,0,0,-0.184583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.20301682,4.71375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.71375,-0.184583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272454649,0.5125,0,0,0,0,0,0,0,0,0,0,1.43087963,0,0.5625,0,0,0,0.615138889,0,0,-0.184583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.20301682,4.71375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.20301682,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,2.100690665,0,0.957916667,0,0,0,0.615138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.20301682,4.71375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.5,2.5,0.619465703,10.20301682,0.225555556,-0.184583333,3.453437846,1.85125,3.203016818,9.236296296,1.85125,3.203016818,9.236296296,4.16666,0.46296,0,0.03704,0.52319,0.87037,0.42414,0.52319,0.87037,0.09905,0,-0.09905,0,0.53191,0.18238,0,0.44,0.24,0,6.25,0.69444,4.75,0.52778,1.5,0.16667,-3.25,-0.36111,0,0,7.40588,0.82288,10.3323,2.92642,0.32516,3.00992,0.33444,4.12588,1.11596,0.124,0.28812,0.03201,0.28812,0.03201,0,8.02,2,2,2,2,0,0,0.857142857,1.264672679,2.119085047,3.381620108,3.381620108,3.381620108,3.184943501,29.08747163,48.73895608,77.77726248,77.77726248,77.77726248,73.25370053,0.279574524,0.468454963,0.747556934,0.747556934,0.747556934,0.704078673,3.258889277,2.404476909,1.141941848,1.141941848,1.141941848,1.338618455,0.279574524,0.468454963,0.747556934,0.747556934,0.747556934,0.704078673,11.60803893,22.20837122,23.48078566,23.48078566,23.48078566,21.12066638,32.94327953,18.82721372,18.33036391,18.33036391,18.33036391,17.15030427,9,4.839506173,8,9,3,4,2.01,1.1693,0.721124785,2.182247272,2.683281573,0,1,2.149139864,0,0.25,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.426,0.519,0.065,3.629,9,6,5,4,4,0,0,0,0,45,2.302585093,2.48490665,2.079441542,1.945910149,1.791759469,1.945910149,0,0,0,0,3.988984047,1.177777778,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.5,7,0.875,0,3,6,1,2.5,0.666666667,0.375,0.16,0.222222222,0,0,0,0,0,0.3125,0.074074074,0.0625,0.032,0.055555556,0,0,0,0,0,0.53662963,24.78957267,39.15799293,49.57914534,5.508793927,24.78957267,1.11E-16,1.23E-17,-33.06312051,2000018.186,222224.2429,13.05780015,26.3,144.5723458,4.169925001,3.555348061,4.17438727,4.905274778,5.549076085,6.282266747,6.932447892,7.666221926,8.318010278,9.051930635,73.43496367,2.833213344,0,3.970291914,0,5.220355825,0,6.517671273,0,7.83873756,8.153061947,130.0993797,5.656494769,16.49829985,1.833144428,5.224562611,5.224562611,0,108,6,2.099,34,1.233227273,2.115064415,2.888658606,3.559872534,4.505590128,5.712427748,6.639569481,7.351865561,0,0,92.90307534,106.3885835,91.82326581,101.065275,122.8181982,234.2132803,76.64955627,7.469965929,0,0,281.9160909,330.5722651,373.0939796,382.4755409,483.728826,824.1255286,628.2431018,228.5235102,0,0,9.447098999,16.09015866,21.91701097,26.01648134,34.32741433,42.4377693,50.81572602,49.3932441,0,0,1.992608666,2.484626131,2.995523153,3.196844347,3.871555961,6.450798613,5.795396826,3.268734303,0,0,179.7781318,336.9320426,472.192301,595.7768929,775.7792093,911.4480788,1100.233885,1359.489718,0,0,3.503647727,6.154840516,7.047396301,7.525978747,10.67085523,17.61083754,20.69409362,7.351865561,0,0,0.450467386,0.585389512,0.706875481,0.760087784,0.949489644,1.497203951,1.404940718,0.752831033,0,0,388.8698402,302.7723751,13.23168269,147.9111318,-115.1629672,-18.75496579,240.9587085,417.9353423,31.98664848,0.724447886,0.564051989,0.024650059,0.275552114,-0.214543684,-0.034939699,208.7379308,162.5224498,7.102515496,79.39588108,-61.81728949,-10.06730876,0.33177405,0.405619087,3.004947784,3.534780749,479.8507889,56.9301831,0.893941503,0.106058497,648.0661598,25.45714359,8.653791915,783.6846649,27.99436845,9.219636166,1104.299863,33.23100756,10.33623416,1.931047351,1.931047351,848.413558,775.9603287,117.010026,1.093372337,7.250776596,6.631571287,4.533434213,4.466160583,8.529792325,0.909871391,3.917833806,5.241531868,3.968188939,17.33713481,5.487319365,4.854260337,5.618743237,7.338204229,3.021884163,3.640424959,4.584229577,2.153659605,2.313843894,3.941135033,0.790402357,1.946808285,5.00E-10,2.63E-41,2.68E-94,5.24E-169,1.98E-265,0,0,0,0,0,0,0,0,0,0.345304163,5.392468617,0.328144591,7.26019547,0.740501274,1.469816668,1.690450507,0.505666752,1.564708797,0.278732884,2.164901965,0.176871486,0.276360205,0.028016386,0.008850083,0.01371153,3.52E-12,1.85E-43,1.88E-96,3.69E-171,1.40E-267,0,0,0,0,0,0,0,0,0,1.067266495,5.111388086,0.793627845,7.452699065,1.110681923,1.818610563,1.62507561,1.277511007,1.485479724,0.630051611,2.571448611,0.429035258,0.513747789,0.2899198,0.066446274,0.142884714,3.67E-11,1.93E-42,1.96E-95,3.85E-170,1.45E-266,0,0,0,0,0,0,0,0,0,3.703230625,5.392092559,4.21299437,17.5053889,5.655680231,4.710889815,5.925678733,7.19536672,3.188868036,3.983357766,4.621015017,2.093373111,2.167950941,3.511657842,0.706494957,1.734571133,4.45E-10,2.35E-41,2.38E-94,4.67E-169,1.77E-265,0,0,0,0,0,0,0,0,0,1.565372702,5.004588839,1.055176961,8.083525793,1.372510767,2.115372542,1.776072555,1.86659743,1.500222675,0.801489382,2.821855464,0.618819995,0.719062964,0.629109427,0.136250951,0.310364691,7.97E-11,4.20E-42,4.27E-95,8.36E-170,3.16E-266,0,0,0,0,0,0,0,0,0,4.731374743,5.337017315,5.405156355,21.59591407,7.760743715,6.240998495,7.422624671,10.08048565,3.811207022,5.147345539,5.336981214,2.886512768,3.092002977,5.746934377,1.142018619,2.83923692,7.29E-10,3.84E-41,3.90E-94,7.65E-169,2.89E-265,0,0,0,0,0,0,0,0,0,2.456710395,5.04658818,3.039826038,19.17852389,4.012905403,3.215997613,6.472728496,5.671088178,3.941120726,3.088939976,4.551768787,1.644201782,1.494288693,1.342221876,0.283488161,0.662455597,1.70E-10,8.96E-42,9.11E-95,1.78E-169,6.75E-266,0,0,0,0,0,0,0,0,0,7.075492423,1.138053757,0.537981434,0.808486556,0.130040583,0.52911569,0.473179422,0.440885602,8.751527613,12.47102608,25.55453661,0.712729834,1.443180713,6.080755138,0.735783168,0.175359154,0.869685972,0.10523369,0.39793418,0.182438056,0.042416961,6.991897461,5.669459673,13.44593456,0.804528958,0.622789197,6.508817798,0.862521644,0.32041132,0.84620758,0.112135933,0.44913034,0.267218819,0.153757209,7.691750762,7.975856831,17.46639554,0.76931137,0.870106368,6.998232034,1.127033142,0.520251185,0.809463743,0.13036042,0.518128894,0.46148539,0.409191345,8.64551636,12.11441827,24.86328029,0.714195615,1.38880563,6.725749786,0.934599775,0.388719934,0.835593455,0.116112773,0.47830233,0.318442775,0.229855311,8.049069495,9.263614811,19.75613281,0.753390182,1.026600416,7.133769984,1.174235943,0.56392502,0.804083128,0.132354044,0.537862423,0.503712413,0.484353166,8.871930947,13.06182154,26.65759963,0.706124691,1.525928003,7.056318456,1.14074649,0.525322189,0.808989368,0.130783749,0.526903329,0.472158271,0.416606054,8.722387135,12.35557061,25.30652322,0.713484052,1.415667654 +UMLS0236,L,3-Methylbutyl acetate,CC(C)CCOC(=O)C,31276,,"Sandia, UML",[11],C7H14O2,PubChem,,3.4,0,-0.038,0.001444,35.3026,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1190.529654,1013.078141,826.396372,643.778859,461.161346,278.543833,84.835296,3885.475125,4800.404174,5835.09088,5418.88368,4464.654462,3634.760223,2804.865983,1974.971743,1061.424631,167.819552,166.665724,297.486168,362.252084,293.047888,250.717548,208.387208,166.056868,123.32736,29.42500648,37.33900896,50.13168111,49.55779744,40.76058708,33.74182834,26.7230696,19.70431086,12.01662072,3973.037281,3337.521256,6591.128897,8625.609131,6929.941219,5973.943916,5017.946613,4061.94931,3137.747111,41,48.5,72.25,79.25,64.75,54.25,43.5,34,24,48.76541633,52.3287937,28.34594414,19.48227194,19.6761041,17.88274608,15.37204487,11.60599304,4.713072,161.8947969,208.713225,138.9307352,104.2093015,106.3012967,100.9655617,93.49553276,82.29048929,58.96803508,6.992481333,7.246335826,7.083004,6.966386231,6.977330667,6.964376333,6.946240267,6.919036167,6.85152,1.226041937,1.623435172,1.193611455,0.953034566,0.970490169,0.93727301,0.890768987,0.821012953,0.66759004,165.54322,145.1096198,156.9316404,165.8770987,164.9986005,165.9428866,167.2648871,169.2478879,174.3192839,1.708333333,2.108695652,1.720238095,1.524038462,1.541666667,1.506944444,1.45,1.416666667,1.333333333,0.048042929,-0.004267344,-0.021216894,-0.001813525,-2.64E-04,6.86E-05,-0.001591007,0.001200155,-9.49E-04,645.6853813,-53.80711511,-242.132018,13.45177878,-40.35533633,-40.35533633,-40.35533633,-40.35533633,-2.74E-13,1200.679538,-100.0566282,-450.2548269,25.01415705,-75.04247115,-75.04247115,-75.04247115,-75.04247115,8.53E-14,0.126485333,-0.010540444,-0.047432,0.002635111,-0.007905333,-0.007905333,-0.007905333,-0.007905333,-1.09E-15,5.367596186,-0.447299682,-2.01284857,0.111824921,-0.335474762,-0.335474762,-0.335474762,-0.335474762,-4.47E-15,29.15686767,-2.429738973,-10.93382538,0.607434743,-1.822304229,-1.822304229,-1.822304229,-1.822304229,4.15E-14,3.5,-0.5625,-0.875,-0.125,-0.25,-0.125,-0.25,0.25,-0.375,0.002001789,-1.86E-04,-5.05E-04,-3.49E-05,-6.29E-06,1.90E-06,-5.30E-05,5.00E-05,-5.27E-05,26.90355756,-2.339439787,-5.765048048,0.258688053,-0.960841341,-1.120981565,-1.345177878,-1.681472347,-1.52E-14,50.0283141,-4.350288182,-10.72035302,0.481041482,-1.786725503,-2.084513087,-2.501415705,-3.126769631,4.74E-15,0.005270222,-4.58E-04,-0.001129333,5.07E-05,-1.88E-04,-2.20E-04,-2.64E-04,-3.29E-04,-6.03E-17,0.223649841,-0.019447812,-0.047924966,0.002150479,-0.007987494,-0.009318743,-0.011182492,-0.013978115,-2.48E-16,1.214869486,-0.105640825,-0.260329176,0.011681437,-0.043388196,-0.050619562,-0.060743474,-0.075929343,2.31E-15,0.145833333,-0.024456522,-0.020833333,-0.002403846,-0.005952381,-0.003472222,-0.008333333,0.010416667,-0.020833333,-0.092685449,-0.25235638,-0.017422159,-0.003144619,9.52E-04,-0.026493089,0.024980877,-0.0263425,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,-5.65E-16,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,9.47E-17,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,-1.14E-14,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,-1.11E-15,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,1.90E-15,-0.167701863,-0.142857143,-0.016483516,-0.040816327,-0.023809524,-0.057142857,0.071428571,-0.142857143,1.420179723,1.328515501,1.037280547,1.052505826,0.981226352,0.903692839,0.669706074,0.604795484,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.571428571,1.173469388,0.963598901,0.99744898,0.935515873,0.903571429,0.75297619,1.095238095,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,44.7670589,22.30019612,35.82675439,44.6420589,5.580257363,22.30019612,-0.166666667,0.158085531,0.019760691,-1.475695247,39.18655619,4.898319524,2.934666987,0,11.89,12.11011416,-0.160379096,0.061052222,5.128426353,7.339204103,7,23,22,22,6,1,1,0,0,1,17.491312,3.527490705,3.234110572,2.831210223,2.392754557,1.842618743,1.505597868,1.2138498,0.750244665,1.897571247,1.734535424,1.470969949,1.160038899,0.875561505,0.676142288,0.551222741,0.260450516,3.551173607,3.268388379,2.876716151,2.448828435,1.923404201,1.601924298,1.330322032,0.886687543,1.84104913,1.662807566,1.383217965,1.058030055,0.746913597,0.536249299,0.398519435,0.093346384,3.657561912,3.418589157,3.073950685,2.68992671,2.261475488,1.995116805,1.791984456,1.417565245,1.679235415,1.448403886,1.112541047,0.736584028,0.325018697,0.067363139,0.125331865,0.488991305,3.568742156,3.29362483,2.910129036,2.489924856,1.982138152,1.671367871,1.413421059,0.983429672,1.805433811,1.616809906,1.326202038,0.99118314,0.661328654,0.442472911,0.295320977,0.02019177,3.71068298,3.491190721,3.167537655,2.802732236,2.414061303,2.167815127,1.988672893,1.639106613,1.63025996,1.380651064,1.02454834,0.629922767,0.178847098,0.099571477,0.317320309,0.706696498,3.606424235,3.308759618,2.985936889,2.580127997,2.050735357,1.75082089,1.495311531,1.142058977,1.789206489,1.565224221,1.2412358,0.868080487,0.562276236,0.328787169,0.180828733,0.186892212,0,0,0,2,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.983127663,3.564043477,2.021881336,1.12671313,0.606493072,0.319035594,0.166666667,0.083333333,0.747890958,0.509149068,0.336980223,0.225342626,0.151623268,0.106345198,0.083333333,0.083333333,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,6,2,0,2,0,0,0,0,0,0,0,0,2,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.499166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.590069444,0,0,1.509930556,0.580555556,0,0.590069444,0,0,0,0,0,0,0,0,4.391102608,0,5.109730726,0,4.499166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.231805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,0.216944444,0.290277778,0,0.290694444,0,0,0,0,0,0,0,0,2.169092971,0,1.184240363,0,2.231805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.299375,0,0,0.290277778,0.290277778,0,0.299375,0,0,0,0,0,0,0,0,2.222009637,0,1.34375,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,1.75,0.299375,2.267361111,0.216944444,1.184240363,5.619613203,0.315759637,0.267361111,1.780538549,0.315759637,0.267361111,1.780538549,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.25,0,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,6.79509,0.84939,7.95768,1.16259,0.14532,3.37132,0.42142,3.91421,0.54289,0.06786,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,0.75,0.918295834,1.947338796,3.105388542,3.772055209,3.772055209,3.340199877,22.03910002,46.73613111,74.52932501,90.52932501,90.52932501,80.16479704,0.200284263,0.424722949,0.677298569,0.822701431,0.822701431,0.728511929,3.666666667,2.637623705,1.479573959,0.812907292,0.812907292,1.244762624,0.200284263,0.424722949,0.677298569,0.822701431,0.822701431,0.728511929,6.73287657,15.09808847,19.01324374,20.60114167,19.68512709,17.98813392,31.59900002,21.28780565,17.50651667,14.40739375,15.48446146,18.47455824,8,7,7.2,8,2,8,2.34,1.1928,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.706,6,5,4,3,2,1,0,0,0,36,2.197224577,2.197224577,2.197224577,2.079441542,1.945910149,1.609437912,1.098612289,0,0,0,3.951243719,1.416666667,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,144.287877,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,112.1252005,4.671883355,14.83110795,1.853888494,0,0,0,84,5,4.376,26,1.214920635,2.112404231,2.884742239,3.676866976,5.01746575,6.005543499,7.303293997,8.327159146,9.506096947,0,74.61675492,68.02049978,68.72107813,92.71888695,105.6661361,109.069422,95.32744937,42.17735682,9.658802889,0,279.367904,317.1796826,333.0085767,459.061398,554.84488,620.4900733,639.6473566,513.1418847,295.485088,0,8.839053936,15.01768323,20.15606564,25.84969642,35.06387521,41.89463221,50.65355464,57.15917949,63.86637012,0,2.1123171,2.667410529,2.936700792,4.015177443,5.005554481,5.74362561,6.25786612,5.735896834,4.226533378,0,174.0970102,327.4842554,474.4097392,592.0607325,823.7955398,991.0038557,1226.804067,1443.182411,1757.845127,0,2.651245969,3.760650156,4.55213924,6.09739328,7.842777454,9.08155148,10.64002601,11.36713365,9.506096947,0,0.437772206,0.563916119,0.627518268,0.855666723,1.072988399,1.236163992,1.35911612,1.271001588,0.973424327,0,405.0547038,194.8696617,11.29004593,117.114778,-56.34329624,-7.627567015,287.9399258,251.2129579,18.91761294,0.775715008,0.373192361,0.02162142,0.224284992,-0.107902316,-0.014607455,211.5072048,101.7549903,5.895317431,61.15376296,-29.4207498,-3.982882716,0.118262635,0.183312312,1.815650931,1.406641698,522.1694818,0,1,0,456.9799498,21.37708937,7.702511969,617.1657659,24.84282121,8.514005818,686.1998016,26.19541566,8.820303505,2.452589461,2.452589461,999.49038,974.2078176,44.25346463,1.025951919,22.58558484,22.01427223,4.432661147,5.92381409,10.5315901,0.777839402,6.515019369,5.890996823,3.038008702,24.21280959,10.96630274,1.555960889,5.228691562,6.388797856,14.8355679,0.064089306,2.53326658,9.058192074,1.879420409,10.61980721,0.001401986,3.641122373,2.883466,0.631595156,5.33E-04,0.905024362,2.96E-10,1.87E-41,2.27E-94,5.33E-169,2.41E-265,0,0,0,0,0,0.546768472,5.884859058,0.250631238,6.126069122,0.083842121,0.129046875,0.885776599,0.069729627,4.251601356,4.54E-04,0.109222904,0.659523855,0.052348348,2.294763434,9.89E-06,0.104894625,0.083263866,0.047402719,3.80E-06,0.006374161,2.08E-12,1.31E-43,1.60E-96,3.75E-171,1.70E-267,0,0,0,0,0,1.765015719,5.885269348,0.811919884,7.430740012,0.821835523,0.414382586,1.772016083,0.532444966,5.565343744,0.004710046,0.412503282,2.106885646,0.238423667,3.44881338,1.03E-04,0.464258147,0.371950238,0.156713524,3.92E-05,0.066423668,2.17E-11,1.37E-42,1.67E-95,3.91E-170,1.77E-266,0,0,0,0,0,6.149647326,5.890323004,2.86465246,22.2610335,9.775326628,1.466509155,4.962735791,5.709333869,13.88810096,0.057104094,2.317115421,8.449581017,1.70146029,9.917255899,0.001249157,3.296412135,2.6119609,0.592316525,4.75E-04,0.806360413,2.64E-10,1.66E-41,2.02E-94,4.75E-169,2.15E-265,0,0,0,0,0,2.601304262,5.885801172,1.199505667,9.035170247,1.768881827,0.61201671,2.380463574,1.095679886,6.718580803,0.01022486,0.677561595,3.179727647,0.421643827,4.402934134,2.24E-04,0.818570614,0.65412164,0.234701969,8.51E-05,0.144281082,4.72E-11,2.98E-42,3.62E-95,8.50E-170,3.84E-266,0,0,0,0,0,7.86782759,5.893830107,3.682951503,32.39824565,15.97177644,1.889541475,6.213503297,9.236789708,18.68369862,0.09346029,3.410505407,11.41884645,2.613387382,13.44005982,0.002044606,5.063018981,4.002359064,0.781017028,7.77E-04,1.319892976,4.32E-10,2.72E-41,3.31E-94,7.77E-169,3.52E-265,0,0,0,0,0,3.74219875,5.333738422,1.788230456,12.05215319,3.606967565,0.868030803,3.43414948,2.179976247,8.520121516,0.02093604,1.105868613,4.565772169,0.730520928,5.771527704,4.58E-04,1.352657749,1.206089895,0.388674146,1.74E-04,0.295518159,9.66E-11,6.10E-42,7.42E-95,1.74E-169,7.87E-266,0,0,0,0,0,10.32156383,0.809907847,0.392158473,0.895686836,0.070282353,0.584933054,0.63024929,0.499988211,11.52363015,12.72481647,27.52670147,0.843530254,1.715170554,8.610366457,0.309995012,0.084543184,0.956186299,0.03442513,0.407459648,0.093146539,0.023237733,9.004904652,3.423326409,12.65389125,0.934279449,0.52384392,9.28977863,0.508764041,0.206717992,0.928489416,0.050849654,0.474077419,0.250169643,0.138929065,10.00526066,6.751840385,17.73411339,0.892734124,0.863176127,10.27917887,0.797551949,0.384542785,0.896861834,0.069586677,0.580149013,0.611328927,0.480757307,11.4612736,12.45765606,27.0714803,0.845292752,1.672235246,9.592719306,0.597264873,0.261176333,0.917861638,0.057148187,0.505413841,0.344230371,0.221770715,10.45116051,8.390776974,20.33831967,0.876792457,1.071414927,10.45426565,0.84858504,0.416001159,0.892089582,0.072411961,0.600038825,0.691297222,0.562633566,11.71885185,13.57333242,28.98266925,0.838134373,1.853969613,10.29638983,0.797500934,0.384896279,0.896992844,0.069476063,0.582070674,0.610879879,0.481641593,11.47878704,12.48137778,27.12069463,0.845489265,1.674592146 +UMLS0237,L,3-Octene,CCCCC=CCC,32935, (trans) reported,"Sandia, UML",[1],C8H16,PubChem,,4.4,0,0.7896,0.62346816,37.3004,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,2227.640869,2209.532819,1095.976731,242.57016,18.289152,0,0,4371.159516,5876.91121,9122.433659,10923.94039,8520.88664,3586.073911,559.5073998,0,0,188.796996,195.98202,384.660436,553.041164,687.95166,509.87232,120.932352,0,0,33.10313229,45.14389758,73.21490844,93.91353488,85.16504053,43.37993894,8.003032287,0,0,4469.666941,3897.355064,8339.687441,12194.46539,16510.92734,13391.89734,3328.517736,0,0,42.34027778,51.29166667,85.5,127.7083333,141.6666667,85.5,18,0,0,48.76541633,56.15943233,41.25260869,28.32734383,11.07047203,3.2342688,1.016064,0,0,161.8947969,217.6633782,168.9339566,140.0505179,86.06956202,47.81431882,31.08374443,0,0,6.992481333,7.258593333,7.123341407,7.090271333,6.949006667,6.7982976,6.718464,0,0,1.226041937,1.671996207,1.355831638,1.204019678,0.860252935,0.578399186,0.444612905,0,0,165.54322,144.3464838,154.4386563,156.3392998,166.7770439,178.5586312,184.917652,0,0,1.568158436,1.899691358,1.583333333,1.637286325,1.430976431,1.14,1,0,0,0.035363986,-0.005859675,0.007168135,-0.01698627,-0.029350485,0.016156117,0.011190186,0,0,726.396054,7.46E-13,121.066009,-524.6193723,-605.330045,403.5533633,242.132018,0,0,1350.764481,-5.26E-13,225.1274134,-975.5521249,-1125.637067,750.4247115,450.2548269,0,0,0.142296,2.03E-15,0.023716,-0.102769333,-0.11858,0.079053333,0.047432,0,0,6.038545709,1.64E-14,1.006424285,-4.361171901,-5.032121424,3.354747616,2.01284857,0,0,32.80147613,-2.00E-13,5.466912688,-23.68995498,-27.33456344,18.22304229,10.93382538,0,0,3.019032922,-1.505401235,1.225823045,-0.256115684,-2.779406722,1.035865341,0.769718793,0,0,0.001309777,-2.17E-04,1.33E-04,-2.18E-04,-2.96E-04,2.15E-04,6.22E-04,0,0,26.90355756,2.76E-14,2.24196313,-6.725889389,-6.114444899,5.380711511,13.45177878,0,0,50.0283141,-1.95E-14,4.169026175,-12.50707852,-11.37007139,10.00566282,25.01415705,0,0,0.005270222,7.54E-17,4.39E-04,-0.001317556,-0.001197778,0.001054044,0.002635111,0,0,0.223649841,6.07E-16,0.018637487,-0.05591246,-0.050829509,0.044729968,0.111824921,0,0,1.214869486,-7.40E-15,0.101239124,-0.303717372,-0.276106701,0.242973897,0.607434743,0,0,0.111816034,-0.055755601,0.022700427,-0.003283534,-0.028074815,0.013811538,0.042762155,0,0,-0.165696125,0.101347945,-0.166266966,-0.226351122,0.16446682,0.474643287,0,0,1.03E-15,0.083333333,-0.25,-0.227272727,0.2,0.5,0,0,-3.89E-16,0.083333333,-0.25,-0.227272727,0.2,0.5,0,0,1.43E-14,0.083333333,-0.25,-0.227272727,0.2,0.5,0,0,2.71E-15,0.083333333,-0.25,-0.227272727,0.2,0.5,0,0,-6.09E-15,0.083333333,-0.25,-0.227272727,0.2,0.5,0,0,-0.498636906,0.203015846,-0.029365506,-0.251080407,0.123520191,0.382433123,0,0,1.612652763,0.960408675,1.299633231,1.193671161,0.479828465,0.003574175,0,0,1.444444444,1.12345679,1.388888889,1.116161616,0.433333333,0,0,0,1.444444444,1.12345679,1.388888889,1.116161616,0.433333333,0,0,0,1.444444444,1.12345679,1.388888889,1.116161616,0.433333333,0,0,0,1.444444444,1.12345679,1.388888889,1.116161616,0.433333333,0,0,0,1.444444444,1.12345679,1.388888889,1.116161616,0.433333333,0,0,0,2.037825865,0.617992844,1.208383029,1.341702938,0.473661612,0,0,0,36.34301895,18.17150947,24.93295961,36.34301895,4.038113216,18.17150953,0,0.044351946,0.004927994,-2.804038819,86.45378718,9.605976353,4.013649017,36.34301895,18.17150947,24.93295961,36.34301895,4.038113216,18.17150953,0,0.044351946,0.004927994,-2.804038819,86.45378718,9.605976353,4.013649017,36.34301895,18.17150947,24.93295961,36.34301895,4.038113216,18.17150953,0,0.044351946,0.004927994,-2.804038819,86.45378718,9.605976353,4.013649017,36.34301895,18.17150947,24.93295961,36.34301895,4.038113216,18.17150953,0,0.044351946,0.004927994,-2.804038819,86.45378718,9.605976353,4.013649017,36.34301895,18.17150947,24.93295961,36.34301895,4.038113216,18.17150953,0,0.044351946,0.004927994,-2.804038819,86.45378718,9.605976353,4.013649017,36.34301895,18.17150947,24.93295961,36.34301895,4.038113216,18.17150953,0,0.044351946,0.004927994,-2.804038819,86.45378718,9.605976353,4.013649017,45.88190159,22.58796693,31.72075923,45.73572532,5.081747258,22.58796693,-0.263117284,0.045218209,0.005024245,-2.78662987,75.42193036,8.380214484,3.890788278,0,11.89,12.11013444,-0.156776338,0.065033754,6.469114312,9.701651016,9,27,27,27,9,0,0,0,0,0,19.677726,3.711447298,3.052869449,2.930023383,2.405760484,2.333552793,1.913534357,1.282853505,1.170581436,2.030296479,1.589381954,1.519580991,1.249629723,1.210816121,0.889971322,0.572023572,0.45753715,3.732019825,3.088666115,2.969855092,2.466038604,2.405454588,1.989484878,1.390398893,1.280230598,1.981699802,1.511435477,1.435211551,1.134540686,1.105820829,0.7670399,0.420940016,0.307815942,3.823976393,3.247764756,3.146315575,2.722299135,2.704236987,2.307290357,1.82814595,1.719826164,1.842640692,1.279701212,1.181573671,0.771381883,0.76031856,0.367161771,0.091955245,0.20068233,3.747253453,3.115154934,2.999308742,2.510048871,2.457539916,2.044670713,1.467937518,1.358793646,1.951103425,1.461509901,1.380916278,1.058262671,1.036749763,0.685534456,0.319169293,0.207001839,3.869694708,3.325690728,3.23222739,2.840713008,2.838982085,2.451190692,2.018767508,1.909275685,1.800437538,1.207277047,1.101527445,0.658944568,0.631337262,0.229531921,0.276880113,0.384918196,3.725044341,3.17310745,3.074546379,2.685036975,2.607620428,2.136712932,1.577486597,1.460057069,1.961826316,1.383591,1.291759842,0.899634438,0.833608404,0.55809956,0.170370215,0.069670566,0,0,0,0,0,3,4,1,1,0,0,0,0.072168784,0.216506351,0,0,0,0.072168784,0.216506351,1.254600961,0.204124145,0.49279928,0.144337567,1.254600961,0.204124145,0.49279928,0.144337567,2.425321265,2.309822465,2.25804577,2.425321265,2.309822465,2.25804577,6.905777394,4.127827085,4.135410682,3.042311382,1.668276095,1.133536487,0.433012702,0.144337567,0.767308599,0.458647454,0.318108514,0.217307956,0.139023008,0.094461374,0.072168784,0.072168784,6.905777394,4.127827085,4.135410682,3.042311382,1.668276095,1.133536487,0.433012702,0.144337567,0.767308599,0.458647454,0.318108514,0.217307956,0.139023008,0.094461374,0.072168784,0.072168784,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.2227,41.413,35.79806166,49.90847146,71.59612331,7.955124813,35.79806166,0.093105532,0.010345059,-2.136619513,75.49348075,8.388164528,3.891641674,61,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,4,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,7.187314815,0,5.808634259,0,0,0,0.950231481,0,0,0,0,0,0.637152778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.388055556,0,1.438657407,0,0,0,0.950231481,0,0,0,0,0,0.637152778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.39962963,0,1.462893519,0,0,0,0.950231481,0,0,0,0,0,0.637152778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.58333333,1.62037037,0.2,2.39962963,0,0.637152778,6.464632523,0.612847222,0.39962963,2.37462963,0.612847222,0.39962963,2.37462963,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.33333,0.11111,0.11111,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,10.80944,1.20105,10.80944,0,0,4.12782,0.45865,4.12782,0,0,0.28618,0.0318,0.37218,0.04135,0.222222222,9,0,0,0,0,0,0,1,0.918295834,1.50253426,2.661208798,3.411751854,3.203987392,2.857877097,24.79398752,40.56842503,71.85263755,92.11730005,86.50765958,77.16268161,0.193126721,0.315997857,0.559678604,0.717525252,0.673830325,0.601039897,3.836591668,3.252353242,2.093678704,1.343135648,1.55090011,1.897010406,0.193126721,0.315997857,0.559678604,0.717525252,0.673830325,0.601039897,6.73287657,13.74373769,18.4757476,19.23216368,17.08697511,15.57593633,35.54887502,25.26783891,21.04929168,18.82963103,22.11940826,25.44414755,7.111111111,2.319526627,1.469387755,0,0,0,2.45,1.2681,1.144714243,4.119534288,1.889881575,2.381101578,3.965406457,2.149139864,2.149139864,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.14,0.131,0.159,0.212,3.981,13,14,12,12,6,2,0,0,0,77,2.302585093,2.63905733,2.708050201,2.564949357,2.564949357,1.945910149,1.098612289,0,0,0,4.356708827,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,1,3,4,0.333333333,3,1.777777778,0.5625,0.333333333,0,0,0,0,0,0,0.333333333,0.136752137,0.051136364,0.111111111,0,0,0,0,0,0,0.632332945,18.17150947,24.93295961,36.34301895,4.038113216,18.17150953,0.044351946,0.004927994,-2.804038819,86.45378718,9.605976353,4.013649017,0,151.8638616,4.169925001,3.80666249,4.59511985,5.451038454,6.267200549,7.120444372,7.944137491,8.795884972,9.621853819,10.4729688,82.0753108,2.944438979,0,4.262679877,0,5.802118375,0,7.430707083,0,9.091444217,9.304923014,126.1408506,4.671883355,17.31156099,1.923506776,0,0,0,80,11,5.036,44,1.22699952,2.101080591,2.848562794,3.456054056,4.127444598,4.857500713,0,0,0,0,78.95148878,96.06200796,86.96855662,41.26867569,13.87628041,4.935531605,0,0,0,0,290.5400635,380.7086839,416.9893379,311.3717338,201.3259076,150.9893107,0,0,0,0,8.938429587,15.02089114,20.2384698,24.06911281,28.07856408,32.63494367,0,0,0,0,2.17886504,3.002778931,3.540238999,3.07418631,2.419096386,2.159707502,0,0,0,0,175.1121323,320.6542068,442.3589057,572.2651082,735.4800413,898.2376266,0,0,0,0,2.372999216,3.427579432,4.742450899,5.04325304,4.742716647,4.857500713,0,0,0,0,0.45089223,0.628028401,0.749573072,0.667582785,0.542775978,0.497408073,0,0,0,0,325.6144285,148.1607936,8.239328775,84.69121838,-38.53612441,-4.522001754,240.9232101,186.696918,12.76133053,0.793589927,0.361098597,0.020080954,0.206410073,-0.093920531,-0.011021057,133.6014387,60.79121026,3.380643122,34.74928514,-15.81158945,-1.855402855,0.066654205,0.136100182,0.731365655,0.975878122,410.3056469,0,1,0,620.8036052,24.91593075,8.530701456,795.1702547,28.19876335,9.264458536,1150.966986,33.92590435,10.47983123,1.175125278,1.079332776,386.9045022,275.5409418,237.6452243,1.404163387,1.628076068,1.159463409,3.825121105,3.779648656,5.906189605,0.562629266,5.087954442,7.385866866,8.625491389,11.90839281,21.69587874,15.57186315,12.41344492,9.320217525,11.66888358,0.095846533,0.820153404,9.06E-16,1.94E-52,8.02E-111,6.43E-191,9.97E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422404152,6.525784364,0.649057325,6.148106067,1.082029961,4.320590815,1.705473628,0.325344442,0.237733923,6.75E-04,0.005776407,6.38E-18,1.36E-54,5.65E-113,4.53E-193,7.02E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.365591183,6.583478644,2.09578435,6.72045797,3.957179811,6.298010658,2.868186813,1.35127431,1.256065554,0.007034593,0.06019462,6.65E-17,1.42E-53,5.89E-112,4.72E-192,7.32E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.799095388,7.291515828,8.072994748,11.34227318,19.96249239,14.77014427,11.39600282,8.482965815,10.50386991,0.085397535,0.730741917,8.07E-16,1.73E-52,7.15E-111,5.73E-191,8.88E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.015776707,6.65808108,3.142788377,7.292535048,6.326549493,7.750225874,3.970106416,2.296083061,2.345571901,0.015280077,0.130750757,1.44E-16,3.09E-53,1.28E-111,1.02E-191,1.59E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.161145337,7.782550559,10.74401508,14.24686836,28.64909168,18.6684841,16.59149417,12.74558748,16.51061228,0.13978316,1.19611666,1.32E-15,2.83E-52,1.17E-110,9.37E-191,1.45E-292,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.354360631,6.038125473,4.871391673,8.960467045,10.56009013,11.11613491,6.771506193,4.548684465,5.158207165,0.03650462,0.312367977,3.45E-16,7.38E-53,3.06E-111,2.45E-191,3.80E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.302854525,2.036148419,1.035614483,0.428468548,0.378845275,0.501644938,0.519172507,0.439700912,5.374617427,9.182487889,19.41305357,0.210970735,1.460518356,1.692089533,1.383939636,0.500954828,0.473049232,0.386901266,0.271516338,0.243563402,0.103890407,3.576983997,3.882701435,8.632796285,0.289925747,0.618970147,1.934620996,1.642716543,0.713608107,0.450861222,0.382833221,0.354601899,0.340958624,0.210003032,4.290945646,5.730850984,12.28966739,0.250541664,0.905563555,2.287729084,2.01997757,1.022406434,0.429208358,0.378974618,0.495111504,0.511140689,0.428658777,5.330113088,9.025388433,19.0802067,0.212274463,1.43491097,2.042745835,1.758181016,0.808260889,0.443189983,0.381451378,0.395173187,0.389519316,0.268941825,4.609187739,6.663657461,14.17572788,0.236962042,1.053634328,2.350209853,2.086781667,1.07695711,0.426229914,0.378455043,0.522372288,0.544708775,0.475154727,5.513948629,9.682824397,20.47857437,0.207027437,1.54223579,2.291877418,2.025785029,1.026688704,0.428841099,0.379051633,0.496831512,0.513686219,0.432026051,5.344351151,9.075746222,19.18686001,0.211839097,1.442543782 +UMLS0238,L,"1,1,2-trimethylcyclohexane",CC1CCCCC1(C)C,35363,,UML,[1],C9H18,PubChem,,8,0,0.5874,0.34503876,40.2021,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,2106.57486,1900.854657,1316.937894,423.91944,45.72288,0,0,4371.159516,5876.91121,8897.306245,9971.768335,7912.680717,4532.318207,1398.768499,0,0,188.796996,195.98202,384.63672,550.598724,622.766616,396.124992,302.33088,0,0,33.10313229,45.14389758,72.20848416,87.88709788,76.15562038,47.41767195,20.00758072,0,0,4469.666941,3897.355064,8334.220529,12374.30219,15244.61046,9491.067723,8321.294341,0,0,42.08333333,51,85.08333333,120,120.5,85.5,45,0,0,48.76541633,56.15943233,39.01064556,24.3699315,14.63264327,7.437183158,1.016064,0,0,161.8947969,217.6633782,164.7649305,127.8431838,87.91867463,79.5143545,31.08374443,0,0,6.992481333,7.258593333,7.122902222,7.058958,6.919629067,6.949561263,6.718464,0,0,1.226041937,1.671996207,1.337194151,1.126757665,0.84617356,0.831888982,0.444612905,0,0,165.54322,144.3464838,154.3374172,158.6448998,169.3845607,166.5099601,184.917652,0,0,1.558641975,1.888888889,1.575617284,1.538461538,1.338888889,1.5,1,0,0,0.035786354,-0.00417112,2.84E-04,-0.0249755,0.014078598,-0.028802002,0.025692553,0,0,726.396054,6.32E-13,6.08E-13,-524.6193723,121.066009,-564.9747087,605.330045,0,0,1350.764481,-7.53E-13,-7.89E-13,-975.5521249,225.1274134,-1050.594596,1125.637067,0,0,0.142296,2.05E-15,2.03E-15,-0.102769333,0.023716,-0.110674667,0.11858,0,0,6.038545709,1.73E-14,1.67E-14,-4.361171901,1.006424285,-4.696646663,5.032121424,0,0,32.80147613,-1.98E-13,-1.97E-13,-23.68995498,5.466912688,-25.51225921,27.33456344,0,0,2.962962963,-1.361111111,0.824074074,-2.309670782,2.938271605,-3.440329218,1.867283951,0,0,0.001325421,-1.54E-04,5.26E-06,-3.20E-04,1.56E-04,-5.05E-04,5.71E-04,0,0,26.90355756,2.34E-14,1.13E-14,-6.725889389,1.345177878,-9.911836994,13.45177878,0,0,50.0283141,-2.79E-14,-1.46E-14,-12.50707852,2.501415705,-18.43148414,25.01415705,0,0,0.005270222,7.59E-17,3.76E-17,-0.001317556,2.64E-04,-0.001941661,0.002635111,0,0,0.223649841,6.39E-16,3.08E-16,-0.05591246,0.011182492,-0.08239731,0.111824921,0,0,1.214869486,-7.34E-15,-3.65E-15,-0.303717372,0.060743474,-0.447583495,0.607434743,0,0,0.109739369,-0.050411523,0.015260631,-0.029611164,0.032647462,-0.060356653,0.041495199,0,0,-0.116556164,0.003972103,-0.241582736,0.11802206,-0.381236192,0.430765641,0,0,8.71E-16,4.18E-16,-0.25,0.05,-0.368421053,0.5,0,0,-5.58E-16,-2.92E-16,-0.25,0.05,-0.368421053,0.5,0,0,1.44E-14,7.14E-15,-0.25,0.05,-0.368421053,0.5,0,0,2.86E-15,1.38E-15,-0.25,0.05,-0.368421053,0.5,0,0,-6.04E-15,-3.01E-15,-0.25,0.05,-0.368421053,0.5,0,0,-0.459375,0.1390625,-0.269831731,0.2975,-0.55,0.378125,0,0,1.56187452,1.079424157,1.334358095,0.717960682,1.434277694,0.002005827,0,0,1.444444444,1.203703704,1.333333333,0.794444444,1.254385965,0,0,0,1.444444444,1.203703704,1.333333333,0.794444444,1.254385965,0,0,0,1.444444444,1.203703704,1.333333333,0.794444444,1.254385965,0,0,0,1.444444444,1.203703704,1.333333333,0.794444444,1.254385965,0,0,0,1.444444444,1.203703704,1.333333333,0.794444444,1.254385965,0,0,0,2.004166667,0.677083333,1.2890625,0.495625,2.020559211,0,0,0,38.26044376,19.13022188,25.95864901,38.26044376,4.251160418,19.1302219,-3.55E-15,4.44E-16,4.93E-17,-31.81545559,34.85310704,3.872567448,3.196028059,38.26044376,19.13022188,25.95864901,38.26044376,4.251160418,19.1302219,-3.55E-15,4.44E-16,4.93E-17,-31.81545559,34.85310704,3.872567448,3.196028059,38.26044376,19.13022188,25.95864901,38.26044376,4.251160418,19.1302219,-3.55E-15,4.44E-16,4.93E-17,-31.81545559,34.85310704,3.872567448,3.196028059,38.26044376,19.13022188,25.95864901,38.26044376,4.251160418,19.1302219,-3.55E-15,4.44E-16,4.93E-17,-31.81545559,34.85310704,3.872567448,3.196028059,38.26044376,19.13022188,25.95864901,38.26044376,4.251160418,19.1302219,-3.55E-15,4.44E-16,4.93E-17,-31.81545559,34.85310704,3.872567448,3.196028059,38.26044376,19.13022188,25.95864901,38.26044376,4.251160418,19.1302219,-3.55E-15,4.44E-16,4.93E-17,-31.81545559,34.85310704,3.872567448,3.196028059,46.00039268,22.86825189,31.41254006,45.79514576,5.088349529,22.86825189,-0.263888889,4.16E-17,4.63E-18,-33.94586684,52.79007274,5.865563638,3.569690841,0,11.89,12.11013444,-0.163076251,0.057906057,6.149190559,8.445759162,9,27,27,27,9,0,0,0,0,0,19.677726,3.689470375,3.042364541,3.042364541,2.273238046,2.17548746,2.17548746,1.099508061,1.099508061,2.024811158,1.585950347,1.585950347,1.181314749,1.066605404,1.066605404,0.413035098,0.413035098,3.7117062,3.078435564,3.078435564,2.343939145,2.243749091,2.243749091,1.209688389,1.209688389,1.974747389,1.506815679,1.506815679,1.06671247,0.952794097,0.952794097,0.259521562,0.259521562,3.809929062,3.239284907,3.239284907,2.639128085,2.531187307,2.531187307,1.656579633,1.656579633,1.829652525,1.271648566,1.271648566,0.694731226,0.585704835,0.585704835,0.262056834,0.262056834,3.728106741,3.105160529,3.105160529,2.395246884,2.293440723,2.293440723,1.289020676,1.289020676,1.943074022,1.45612622,1.45612622,0.990793101,0.877571657,0.877571657,0.156092313,0.156092313,3.858127184,3.318282267,3.318282267,2.772801353,2.662420938,2.662420938,1.850629028,1.850629028,1.784957217,1.19828528,1.19828528,0.566929942,0.460560939,0.460560939,0.450448455,0.450448455,3.704786462,3.185821029,3.185821029,2.578933481,2.399668944,2.399668944,1.390915633,1.390915633,1.952763292,1.364912791,1.364912791,0.794465669,0.736786313,0.736786313,0.012637536,0.012637536,0,0,0,0,0,3,3,3,0,0,0,0,0.068041382,0.204124145,0,0,0,0.068041382,0.204124145,0.866025404,0,0,0,0.866025404,0,0,0,1,1.995781916,1.747400241,1,1.995781916,1.747400241,6.853371151,4.18154055,4.022621928,2.414213562,2.349335306,0.98559856,0.696923425,0,0.761485683,0.464615617,0.335218494,0.201184464,0.156622354,0.082133213,0.077435936,0,6.853371151,4.18154055,4.022621928,2.414213562,2.349335306,0.98559856,0.696923425,0,0.761485683,0.464615617,0.335218494,0.201184464,0.156622354,0.082133213,0.077435936,0,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.0786,41.343,36.23240609,46.59629277,72.46481219,8.051645799,36.23240609,0,0,0,50.96615924,5.662906583,3.538045681,63,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,7.143333333,0,4.387916667,0,0,0,2.96875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.381111111,0,1.462638889,0,0,0,0.989583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.381111111,0,1.462638889,0,0,0,0.989583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.5,1.611111111,0.2,2.381111111,0.2,0.989583333,6.462614583,0.34375,0.381111111,2.286666667,0.34375,0.381111111,2.286666667,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.33333,0.33333,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,10.39611,1.15512,10.39611,0,0,4.18152,0.46461,4.18152,0,0,0.23248,0.02583,0.31848,0.03539,0.222222222,9,0,0,0,0,0,0,1,0.918295834,1.446616668,2.419381946,2.419381946,2.197159723,1.657742727,24.79398752,39.05865003,65.32331253,65.32331253,59.32331253,44.75905362,0.193126721,0.304237833,0.508820018,0.508820018,0.462084481,0.348639737,3.836591668,3.308270835,2.335505557,2.335505557,2.557727779,3.097144776,0.193126721,0.304237833,0.508820018,0.508820018,0.462084481,0.348639737,6.73287657,13.07272657,14.05310377,14.05310377,11.3864371,10.84279915,35.54887502,26.03910002,27.72431251,27.72431251,32.40401252,31.82253257,7.111111111,2.722222222,2,0,0,0,2.45,1.2681,0.75,3.571652367,4.326748711,0,1.5,6.240251469,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.124,0.16,0.203,3.937,12,12,15,12,9,0,0,0,0,78,2.302585093,2.564949357,2.564949357,2.772588722,2.564949357,2.302585093,0,0,0,0,4.369447852,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,4,0.333333333,3,0.666666667,0.9375,0.333333333,0,0,0,0,0,0,0.333333333,0.055555556,0.104166667,0.055555556,0,0,0,0,0,0,0.548611111,19.13022188,25.95864901,38.26044376,4.251160418,19.1302219,4.44E-16,4.93E-17,-31.81545559,34.85310704,3.872567448,3.196028059,0,151.8638616,4.169925001,3.761200116,4.510859507,5.351858133,6.11146734,6.957497371,7.719129841,8.566173814,9.328212293,10.17545936,80.48185778,2.944438979,0,4.204692619,0,5.645446898,0,7.181591945,0,8.760766624,8.995660899,126.1408506,4.671883355,17.38171618,1.931301798,0,0,0,84,9,4.938,42,1.22699952,2.101632098,2.841588385,3.503542101,4.58830767,5.348672471,0,0,0,0,78.95148878,91.11853208,77.0715485,61.10802313,35.98987202,5.434593545,0,0,0,0,290.5400635,371.1494733,385.4775928,341.3238808,378.9088269,166.2567681,0,0,0,0,8.938429587,15.02121738,20.10839593,24.33959172,31.95387529,35.93486344,0,0,0,0,2.17886504,2.958422373,3.336845342,3.183635254,3.929493579,2.378088804,0,0,0,0,175.1121323,320.7290345,447.2347567,586.2066109,758.6501956,989.0639547,0,0,0,0,2.360702744,3.406986278,4.453028106,4.907141188,7.055726606,5.348672471,0,0,0,0,0.45089223,0.619801368,0.709050706,0.686731997,0.858509544,0.547704061,0,0,0,0,367.4029777,168.5193601,9.185806885,88.05622409,-40.38938015,-4.810885956,279.3467536,208.9087402,13.99669284,0.806664958,0.369998804,0.020168232,0.193335042,-0.088678371,-0.010562715,167.3370669,76.75369321,4.183760271,40.10601753,-18.39571484,-2.191162277,0.064635673,0.135832753,0.95658535,1.127743823,455.4592017,0,1,0,620.8036052,24.91593075,8.530701456,795.1702547,28.19876335,9.264458536,1095.429978,33.09728052,10.30848573,1.159838844,1.035728624,516.3722536,305.7649606,264.4442642,1.688788187,1.952669517,1.156254841,4.157250061,4.355922028,6.376268681,0.463816074,5.020831515,6.989125066,11.03149926,13.93961737,19.48407265,9.022004788,10.86371457,13.84026511,10.10070354,6.616510751,3.93343851,0.396370774,1.33E-17,1.44E-55,3.15E-115,1.33E-196,1.08E-299,0,0,0,0,0,0,0,0,0,0,0,0,0,0.4219314,6.522854967,0.714663267,5.964077264,1.013397184,1.824328855,1.980796572,1.501481797,1.110064211,0.259321937,0.02773075,0.002791672,9.35E-20,1.02E-57,2.22E-117,9.35E-199,7.60E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,1.36066474,6.554012914,2.404483684,7.082441976,3.661532199,2.94420045,2.863502822,3.135899692,2.204175095,1.032136643,0.288762067,0.029091372,9.75E-19,1.06E-56,2.31E-116,9.74E-198,7.92E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,4.739290068,6.937932996,10.25271967,13.2710763,17.95634097,8.457787723,9.990733331,12.77209621,9.288136926,6.041663193,3.50464164,0.353159224,1.18E-17,1.29E-55,2.81E-115,1.18E-196,9.62E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,2.005075814,6.594410054,3.688030961,8.001478956,5.812575602,3.816679761,3.74573375,4.5204109,3.175287022,1.718480542,0.627162812,0.063190348,2.12E-18,2.30E-56,5.02E-116,2.12E-197,1.72E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,6.063252857,7.204380626,14.08209306,16.61962322,25.59130526,11.251363,14.46972509,18.15037175,13.4069419,8.955721196,5.736461611,0.578069522,1.94E-17,2.11E-55,4.59E-115,1.94E-196,1.57E-299,0,0,0,0,0,0,0,0,0,0,0,0,0,3.331366715,5.935104618,5.954121677,10.21567009,9.871323279,5.540888424,6.086505801,7.931357035,6.156989728,3.615022364,1.515515808,0.152704079,5.12E-18,5.57E-56,1.21E-115,5.11E-197,4.16E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,3.02249741,2.619994856,0.664087011,0.479260987,0.415438345,0.477338762,0.467361363,0.441308362,6.306579278,11.66603349,23.23146978,0.342048998,1.386008487,2.210458359,1.883105246,0.213613682,0.513203477,0.437201703,0.254265581,0.241640223,0.046164196,4.307177287,5.036966925,10.23331666,0.42560777,0.54207,2.532840244,2.175641465,0.392793151,0.496511228,0.426489755,0.334416275,0.322378847,0.155481717,5.101274859,7.360011624,14.62579367,0.384501474,0.812276838,3.002381367,2.601739286,0.652959065,0.47983748,0.415807278,0.470963328,0.460873354,0.426772167,6.257079718,11.47067493,22.82828794,0.343467138,1.358608849,2.676599971,2.306096693,0.472540168,0.490647804,0.422730812,0.373725761,0.362146514,0.224581202,5.455236832,8.52702266,16.8990129,0.370067923,0.960453476,3.085478717,2.677151586,0.698918881,0.477513771,0.414320391,0.49757905,0.487969684,0.488349145,6.461549184,12.28790536,24.52273015,0.337751243,1.473897879,3.016374168,2.613257378,0.65434937,0.480010078,0.415860171,0.47531926,0.464914982,0.428278299,6.283980916,11.56630791,23.00823833,0.343805373,1.368512541 +UMLS0239,L,"1,3,5-trimethylcyclohexane",CC1CC(CC(C1)C)C,35364, (cis) reported; [9] has RON of 63.8,UML,[1],C9H18,PubChem,,2.7,0,-0.1601,0.02563201,36.9387,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,2106.57486,2021.920666,1152.443044,424.085929,82.888848,6.096384,0,4371.159516,5876.91121,8897.306245,10196.89575,8047.995993,4126.61609,1257.525459,186.5024666,0,188.796996,195.98202,384.63672,550.62244,625.51336,471.98026,183.394368,40.310784,0,33.10313229,45.14389758,72.20848416,88.89352217,78.82529164,45.73227423,15.34920546,2.667677429,0,4469.666941,3897.355064,8334.220529,12379.7691,15011.11091,12097.08771,4833.801083,1109.505912,0,41.0625,50.125,84.5,119.125,125.75,83.5,30.5,6,0,48.76541633,56.15943233,39.01064556,25.92205982,12.80492271,6.146172884,3.069957333,1.016064,0,161.8947969,217.6633782,164.7649305,130.7294327,89.4221777,59.80603029,46.57501701,31.08374443,0,6.992481333,7.258593333,7.122902222,7.059262051,6.950148444,6.840293623,6.792384,6.718464,0,1.226041937,1.671996207,1.337194151,1.139660541,0.875836574,0.662786583,0.568489091,0.444612905,0,165.54322,144.3464838,154.3374172,158.7149885,166.7901212,175.3201118,179.0296697,184.917652,0,1.520833333,1.856481481,1.564814815,1.52724359,1.397222222,1.210144928,1.12962963,1,0,0.036042098,-0.004441259,1.89E-04,-0.014269875,-0.018109142,0.008136302,0.00681404,0.003660081,0,726.396054,6.32E-13,6.36E-13,-403.5533633,-403.5533633,201.7766817,161.4213453,80.71067267,0,1350.764481,-7.53E-13,-7.32E-13,-750.4247115,-750.4247115,375.2123557,300.1698846,150.0849423,0,0.142296,2.05E-15,2.05E-15,-0.079053333,-0.079053333,0.039526667,0.031621333,0.015810667,0,6.038545709,1.73E-14,1.69E-14,-3.354747616,-3.354747616,1.677373808,1.341899046,0.670949523,0,32.80147613,-1.98E-13,-1.99E-13,-18.22304229,-18.22304229,9.111521147,7.289216918,3.644608459,0,2.541666667,-0.9375,0.291666667,-0.12037037,-1.458333333,0.386574074,0.340277778,0.226851852,0,0.001334893,-1.64E-04,3.50E-06,-1.83E-04,-2.01E-04,1.18E-04,2.52E-04,6.10E-04,0,26.90355756,2.34E-14,1.18E-14,-5.173761068,-4.483926259,2.924299734,5.978568346,13.45177878,0,50.0283141,-2.79E-14,-1.36E-14,-9.620829634,-8.33805235,5.437860228,11.11740313,25.01415705,0,0.005270222,7.59E-17,3.79E-17,-0.001013504,-8.78E-04,5.73E-04,0.00117116,0.002635111,0,0.223649841,6.39E-16,3.13E-16,-0.043009585,-0.037274974,0.024309765,0.049699965,0.111824921,0,1.214869486,-7.34E-15,-3.68E-15,-0.233628747,-0.202478248,0.132051031,0.269970997,0.607434743,0,0.094135802,-0.034722222,0.005401235,-0.00154321,-0.016203704,0.005602523,0.012602881,0.037808642,0,-0.123224197,0.002619207,-0.137050069,-0.150733248,0.088334771,0.189057797,0.456975695,0,8.71E-16,4.38E-16,-0.192307692,-0.166666667,0.108695652,0.222222222,0.5,0,-5.58E-16,-2.71E-16,-0.192307692,-0.166666667,0.108695652,0.222222222,0.5,0,1.44E-14,7.19E-15,-0.192307692,-0.166666667,0.108695652,0.222222222,0.5,0,2.86E-15,1.40E-15,-0.192307692,-0.166666667,0.108695652,0.222222222,0.5,0,-6.04E-15,-3.03E-15,-0.192307692,-0.166666667,0.108695652,0.222222222,0.5,0,-0.368852459,0.057377049,-0.016393443,-0.172131148,0.059515324,0.133879781,0.401639344,0,1.570384628,1.091415637,1.189305025,1.104662607,0.65374938,0.457111106,0.004506164,0,1.444444444,1.203703704,1.277777778,1.059259259,0.596618357,0.401234568,0,0,1.444444444,1.203703704,1.277777778,1.059259259,0.596618357,0.401234568,0,0,1.444444444,1.203703704,1.277777778,1.059259259,0.596618357,0.401234568,0,0,1.444444444,1.203703704,1.277777778,1.059259259,0.596618357,0.401234568,0,0,1.444444444,1.203703704,1.277777778,1.059259259,0.596618357,0.401234568,0,0,1.89435337,0.828779599,1.032786885,1.243169399,0.704205274,0.520947177,0,0,38.39238885,19.19619443,27.63916344,38.39238885,4.265820983,19.19619444,-1.42E-14,0.017515666,0.001946185,-3.64019363,54.73366754,6.081518615,3.602231113,38.39238885,19.19619443,27.63916344,38.39238885,4.265820983,19.19619444,-1.42E-14,0.017515666,0.001946185,-3.64019363,54.73366754,6.081518615,3.602231113,38.39238885,19.19619443,27.63916344,38.39238885,4.265820983,19.19619444,-1.42E-14,0.017515666,0.001946185,-3.64019363,54.73366754,6.081518615,3.602231113,38.39238885,19.19619443,27.63916344,38.39238885,4.265820983,19.19619444,-1.42E-14,0.017515666,0.001946185,-3.64019363,54.73366754,6.081518615,3.602231113,38.39238885,19.19619443,27.63916344,38.39238885,4.265820983,19.19619444,-1.42E-14,0.017515666,0.001946185,-3.64019363,54.73366754,6.081518615,3.602231113,38.39238885,19.19619443,27.63916344,38.39238885,4.265820983,19.19619444,-1.42E-14,0.017515666,0.001946185,-3.64019363,54.73366754,6.081518615,3.602231113,45.65131009,22.55743551,32.87896614,45.550532,5.061170222,22.55743551,-0.183333333,0.009665768,0.001073974,-4.175248261,49.19916219,5.466573576,3.506288935,0,11.9,12.1001487,-0.150126399,0.050082478,5.798057755,9.697503659,9,27,27,27,9,0,0,0,0,0,19.677726,3.692434643,3.138614252,2.750129472,2.705633994,2.193871786,1.682450447,1.456797487,1.199998143,2.022838382,1.662642051,1.418548695,1.372874417,1.078459027,0.80429149,0.666206401,0.544614305,3.713967004,3.173888263,2.792995694,2.757008849,2.262013353,1.773508686,1.556142907,1.316179017,1.972929745,1.586896491,1.322081451,1.285229005,0.965813479,0.668573939,0.522081792,0.390461416,3.809853706,3.329946282,2.981537655,2.97866536,2.548006905,2.14753593,1.9628467,1.779189806,1.829242409,1.361157492,1.021807029,1.018928274,0.602115726,0.216693231,0.037619229,0.137613127,3.729892728,3.199947793,2.824624264,2.794682422,2.311556934,1.839284766,1.62787375,1.399264523,1.941428708,1.538344959,1.259173438,1.228596505,0.891346636,0.57780787,0.425347018,0.286330557,3.857302412,3.406049941,3.083149579,3.072480534,2.678203101,2.313069376,2.141548494,1.977184606,1.785365813,1.290329109,0.933903671,0.923321713,0.47785506,0.057100147,0.135164289,0.330696265,3.71880234,3.271123416,2.970308397,2.849225422,2.441521297,1.979992366,1.744477468,1.539004423,1.936530116,1.449285837,1.1655301,1.076523315,0.732138942,0.405129555,0.270278054,0.113977957,0,0,0,0,0,2,6,0,1,0,0,0,0.088388348,0.150888348,0,0,0,0.088388348,0.150888348,0.926776695,0.176776695,0,0,0.926776695,0.176776695,0,0,1.633883476,1.920495129,1.383883476,1.633883476,1.920495129,1.383883476,6.742640687,4.267766953,3.724873734,2.914213562,1.758883476,1.207106781,0.478553391,0.125,0.749182299,0.474196328,0.310406145,0.224170274,0.146573623,0.100592232,0.079758898,0.0625,6.742640687,4.267766953,3.724873734,2.914213562,1.758883476,1.207106781,0.478553391,0.125,0.749182299,0.474196328,0.310406145,0.224170274,0.146573623,0.100592232,0.079758898,0.0625,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.3668,41.483,35.18512298,49.38818759,70.37024596,7.818916217,35.18512298,0.201987748,0.022443083,-1.439593413,39.41501847,4.379446496,3.306732231,67,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,6,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.761388889,0,8.768125,0,0,0,0,0,0,0,0,0,0.720486111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.324722222,0,1.381944444,0,0,0,0,0,0,0,0,0,0.720486111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.436666667,0,1.481736111,0,0,0,0,0,0,0,0,0,0.720486111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.25,1.583333333,0.2,2.436666667,0,0.720486111,6.459675347,0.529513889,0.436666667,1.522777778,0.529513889,0.436666667,1.522777778,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.22222,0,0.11111,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,10.28939,1.14327,10.28939,0,0,4.26777,0.4742,4.26777,0,0,0.14623,0.01625,0.23223,0.0258,0.222222222,9,0,0,0,0,0,0,1,0.918295834,1.326427316,2.336953705,3.235644909,3.217488428,2.431589134,24.79398752,35.81353753,63.09775004,87.36241255,86.87218755,65.65290661,0.193126721,0.27896082,0.491484542,0.680488215,0.676669727,0.511387311,3.836591668,3.428460186,2.417933797,1.519242593,1.537399074,2.323298369,0.193126721,0.27896082,0.491484542,0.680488215,0.676669727,0.511387311,6.73287657,11.63045435,17.02739204,18.24044351,15.77943941,12.7442641,35.54887502,28.77326947,23.03692779,20.37828057,24.01804724,29.80606171,7.111111111,2.722222222,1.704142012,2,0,2,2.45,1.2681,0.333333333,4.326341831,0,1.414213562,7.732315986,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.111,0.198,0.227,4.209,12,13,12,12,6,2,0,0,0,75,2.302585093,2.564949357,2.63905733,2.564949357,2.564949357,1.945910149,1.098612289,0,0,0,4.33073334,1,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,3,0.333333333,1,3,5,0.666666667,2.5,1.111111111,0.375,0.262222222,0.0625,0,0,0,0,0,0.277777778,0.092592593,0.0375,0.065555556,0.0625,0,0,0,0,0,0.535925926,19.19619443,27.63916344,38.39238885,4.265820983,19.19619444,0.017515666,0.001946185,-3.64019363,54.73366754,6.081518615,3.602231113,0,151.8638616,4.169925001,3.761200116,4.532599493,5.370638028,6.163314804,7.005789019,7.802618063,8.645938147,9.443751036,10.28721817,81.01306688,2.944438979,0,4.204692619,0,5.707110265,0,7.296413269,0,8.917176636,9.140561477,126.1408506,4.671883355,17.4630958,1.940343977,0,0,0,84,10,5.097,42,1.22699952,2.101648878,2.841411118,3.493869191,4.133449199,4.519424486,5.359741897,0,0,0,78.95148878,91.1177179,79.47069947,47.4191251,26.01824046,14.55769992,5.445840791,0,0,0,290.5400635,371.1853466,389.7137097,324.2216261,248.8663658,215.6456852,166.6008473,0,0,0,8.938429587,15.02156236,20.10628908,24.32631527,28.27740563,30.72225721,36.00923299,0,0,0,2.17886504,2.958760547,3.35469886,3.144635175,2.749457388,2.610452859,2.383010414,0,0,0,175.1121323,320.7131935,447.4230666,579.3755205,724.4376994,807.1523442,991.1108871,0,0,0,2.324853475,3.378716978,4.427609976,4.964331633,5.006366192,5.159309907,5.359741897,0,0,0,0.45089223,0.619872453,0.712275746,0.681381064,0.609376743,0.58642751,0.54883757,0,0,0,342.2280867,157.6041009,8.717186527,83.77920749,-38.58229988,-4.51200151,258.4488792,196.1864008,13.22918804,0.803338561,0.369956344,0.020462529,0.196661439,-0.090567228,-0.010591371,145.7916612,67.14049658,3.713585046,35.69055349,-16.43634118,-1.922145555,0.058740709,0.140671845,0.606850061,1.114832836,426.0072942,0,1,0,620.8036052,24.91593075,8.530701456,795.1702547,28.19876335,9.264458536,1126.208076,33.55902377,10.4041406,1.360746721,1.360746721,375.4019819,353.8656224,216.5599019,1.060860276,1.733478722,1.634031135,3.907006955,3.779648656,6.126310731,0.620867781,5.80085279,7.445593487,7.418976557,14.67167363,25.00853256,18.78817476,16.27753448,14.06170687,10.15691882,0.74476843,1.479311734,8.62E-07,7.06E-34,1.12E-82,3.40E-153,2.00E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.427425153,6.526069959,0.587778175,5.828647413,1.254317391,4.056619417,1.43223432,1.087143635,0.294798051,0.008501331,0.010418913,6.07E-09,4.97E-36,7.86E-85,2.40E-155,1.41E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.417913889,6.587515234,1.895729826,6.674681149,4.549662995,6.429322284,2.943458888,2.564280338,1.31906374,0.063026738,0.108573112,6.32E-08,5.18E-35,8.19E-84,2.50E-154,1.47E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.434274981,7.344638173,6.970195321,13.79104165,23.00477643,17.66191751,14.8313377,12.85306457,9.203360964,0.665817119,1.318040122,7.68E-07,6.29E-34,9.94E-83,3.03E-153,1.78E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.129428615,6.667181455,2.819263923,7.540208619,7.273049912,8.246451646,4.431894973,3.926056231,2.315786227,0.128890561,0.235835307,1.37E-07,1.13E-34,1.78E-83,5.42E-154,3.19E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.200840578,7.870096765,9.115332955,18.31747108,33.0515011,23.21299001,22.24230272,19.00722728,14.0846927,1.07555503,2.157437136,1.26E-06,1.03E-33,1.63E-82,4.96E-153,2.92E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.649190566,6.315544205,4.405180273,9.600166775,12.92629826,12.53807802,8.304846489,7.579296975,4.780634599,0.30558519,0.590085567,3.44E-07,2.82E-34,4.45E-83,1.36E-153,7.98E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.646554706,1.576120956,1.3080418,0.478519238,0.284975858,0.480361724,0.474174894,0.45530377,5.530717462,9.694726606,20.68166618,0.217778857,1.409840388,2.036491381,0.944089142,0.773388844,0.542490144,0.251490902,0.287053456,0.182230024,0.1587991,3.753969367,4.227777126,9.468686622,0.313735215,0.62808258,2.278266069,1.194500585,0.986869385,0.510863678,0.267847101,0.357852919,0.280901431,0.259327081,4.459636039,6.148557244,13.29384991,0.266295517,0.898081431,2.631397799,1.560437837,1.294894549,0.479593075,0.284402146,0.474969865,0.46520438,0.446223126,5.486730185,9.534117806,20.33785683,0.219389612,1.38639737,2.386254532,1.306471906,1.081454282,0.499824927,0.273653634,0.391938797,0.332205182,0.311447826,4.77418072,7.111089324,15.25678434,0.249737391,1.035591805,2.69402493,1.625220227,1.349184724,0.475268282,0.286714357,0.497443572,0.502827564,0.484305362,5.668429881,10.20584339,21.78152183,0.212902423,1.484576498,2.636658143,1.568717331,1.297068924,0.479179425,0.285094627,0.476588849,0.467920131,0.447729809,5.502444398,9.590833165,20.45817685,0.218769138,1.392238789 +UMLS0240,L,1-methyl-1-ethylcyclohexane,CCC1(CCCCC1)C,35411,,UML,[1],C9H18,PubChem,,-8,0,1.3468,1.81387024,21.7836,12.374344,0,0,12,4,8,0,4,0,0,0,0,0,0,0,0,0,585.184996,529.649067,415.695506,248.233273,78.738912,9.144576,0,0,0,1942.737562,2188.443636,2180.902434,1558.996044,874.9221648,279.7536999,0,0,0,83.909776,79.562604,126.568136,111.51082,83.016576,60.466176,0,0,0,14.71250324,17.27505448,19.38092053,14.80954481,9.348943289,4.001516144,0,0,0,1986.518641,1605.36345,2894.320101,2646.198302,2028.241198,1664.258868,0,0,0,24,28,34,27,18,9,0,0,0,48.76541633,48.14991518,23.09419478,15.51457956,6.561576,1.016064,0,0,0,161.8947969,198.9494215,121.1612463,97.43725273,72.9101804,31.08374443,0,0,0,6.992481333,7.232964,7.031563111,6.96942625,6.918048,6.718464,0,0,0,1.226041937,1.570459498,1.076717807,0.925596551,0.779078607,0.444612905,0,0,0,165.54322,145.9421318,160.7955612,165.3873939,169.0200999,184.917652,0,0,0,2,2.545454545,1.888888889,1.6875,1.5,1,0,0,0,0.031893696,-0.001085686,-0.017541671,-0.005558304,0.001594823,0.00664399,0,0,0,322.8426907,-53.80711511,-80.71067267,-67.25889389,-80.71067267,121.066009,0,0,0,600.3397692,-100.0566282,-150.0849423,-125.0707852,-150.0849423,225.1274134,0,0,0,0.063242667,-0.010540444,-0.015810667,-0.013175556,-0.015810667,0.023716,0,0,0,2.683798093,-0.447299682,-0.670949523,-0.559124603,-0.670949523,1.006424285,0,0,0,14.57843384,-2.429738973,-3.644608459,-3.037173716,-3.644608459,5.466912688,0,0,0,2.666666667,-0.444444444,-0.666666667,-0.555555556,-0.666666667,1,0,0,0,0.002657808,-9.87E-05,-9.75E-04,-3.47E-04,1.33E-04,7.38E-04,0,0,0,26.90355756,-4.891555919,-4.483926259,-4.203680868,-6.725889389,13.45177878,0,0,0,50.0283141,-9.096057109,-8.33805235,-7.816924078,-12.50707852,25.01415705,0,0,0,0.005270222,-9.58E-04,-8.78E-04,-8.23E-04,-0.001317556,0.002635111,0,0,0,0.223649841,-0.040663607,-0.037274974,-0.034945288,-0.05591246,0.111824921,0,0,0,1.214869486,-0.220885361,-0.202478248,-0.189823357,-0.303717372,0.607434743,0,0,0,0.222222222,-0.04040404,-0.037037037,-0.034722222,-0.055555556,0.111111111,0,0,0,-0.03713539,-0.36666956,-0.130706962,0.05000434,0.27775563,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,1.262950796,1.46874977,1.194221328,0.546875344,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,0,11.89,12.11003668,-0.181285491,0.043200545,4.966579476,5.802081888,3,11,10,10,2,1,1,0,0,1,8.745656,3.390710197,2.584509236,1.837979866,0.786375036,0.083923071,0.083923071,0.083923071,0.083923071,1.789553149,1.376366662,0.827698544,0.270263698,0.083923071,0.083923071,0.083923071,0.083923071,3.416060273,2.64365993,1.91709112,0.918327447,0.270913902,0.270913902,0.270913902,0.270913902,1.728563216,1.272632769,0.70580992,0.104477258,0.270913902,0.270913902,0.270913902,0.270913902,3.530445574,2.895090214,2.24378896,1.436958256,0.943918427,0.943918427,0.943918427,0.943918427,1.553819833,0.94329689,0.304605346,0.471112772,0.943918427,0.943918427,0.943918427,0.943918427,3.434896943,2.686833051,1.974314718,1.01227312,0.399277246,0.399277246,0.399277246,0.399277246,1.690101937,1.204479793,0.624663305,0.008036186,0.399277246,0.399277246,0.399277246,0.399277246,3.58776046,3.011439194,2.389604742,1.655137903,1.207644823,1.207644823,1.207644823,1.207644823,1.501028367,0.832901232,0.164472647,0.685039239,1.207644823,1.207644823,1.207644823,1.207644823,3.45057003,2.722232483,2.020893764,1.08777252,0.5,0.5,0.5,0.5,1.661745534,1.152761705,0.562473031,0.095511473,0.5,0.5,0.5,0.5,0,0,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,3.154700538,1.488033872,0.666666667,0.333333333,0,0,0,0,0.788675135,0.496011291,0.333333333,0.333333333,0,0,0,0,6.167311215,11.55134741,10.90196078,11.04,7.194217964,92.11302036,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.50859,20.218,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,2,0,2,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.719444444,0,0,0,0.580555556,0,0.719444444,0,0,0,0,0,0,0,0,4,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0,0,0.290277778,0,0.359722222,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0,0,0.290277778,0,0.359722222,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,2,0.359722222,2,0.290277778,2,2.848,0,0,0,0,0,0,2,0.5,0,0,0.43333,0.7,0.41429,0.41429,0.7,0.01905,0.01905,0,0,0.71429,0,0,0.5,0,0,2.5,0.625,1.5,0.375,1,0.25,-0.5,-0.125,0,0,2.08333,0.52083,2.95465,0.87132,0.21783,1.25,0.3125,1.91421,0.66421,0.16605,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3,0,0,0,0,0,0,0.5,0.918295834,1.79248125,1.79248125,1.79248125,1.361654167,0.5,11.01955001,21.509775,21.509775,21.509775,16.33985,6,0.256152145,0.5,0.5,0.5,0.379823824,0.139471473,2.666666667,1.79248125,1.79248125,1.79248125,2.223308334,3.084962501,0.256152145,0.5,0.5,0.5,0.379823824,0.139471473,6.73287657,11.27796084,11.27796084,11.27796084,6.108035837,0.503912516,15.79950001,14.20150417,14.20150417,14.20150417,9.031579168,3,4,3,4,4,2,4,1.9,0.6292,0.333333333,2.828427125,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,1.71,2,1,0,0,0,0,0,0,0,10,1.609437912,1.609437912,1.098612289,0,0,0,0,0,0,0,2.708050201,1.4,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.666666667,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,0,75.1039385,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,56.06260026,4.671883355,6.871320344,1.717830086,0,0,0,10,1,2.31,10,1.188017394,2.060985138,2.933606679,3.749463668,4.847692575,0,0,0,0,0,66.36786025,55.03856777,54.09816018,28.0854339,4.925565908,0,0,0,0,0,257.7688965,272.6145696,309.578207,299.6445554,150.6844371,0,0,0,0,0,8.622213516,14.5505005,20.49619275,26.06432499,32.56904805,0,0,0,0,0,1.981917004,2.363908222,2.857819216,3.131199231,2.155346677,0,0,0,0,0,171.5559643,327.0885234,481.5866163,623.7497377,896.4239286,0,0,0,0,0,3.162741753,4.085084594,5.133387226,5.938237116,4.847692575,0,0,0,0,0,0.411980673,0.502676856,0.614583173,0.685120306,0.49640372,0,0,0,0,0,240.0021017,66.29896297,7.893177567,97.36502492,-26.89643189,-6.262642137,142.6370768,93.19539486,14.1558197,0.711397415,0.196518741,0.023396404,0.288602585,-0.079724519,-0.018563285,80.96881942,22.36709063,2.662898636,32.84775869,-9.073971943,-2.112809582,0.204931531,0.330482582,4.664976871,9.374694848,337.3671266,0,1,0,209.2665805,14.46604924,5.936994218,289.6761399,17.01987485,6.616641048,265.0376431,16.27997675,6.42346241,2.09810518,2.09810518,141.8352679,133.3376728,14.89399822,1.06372989,9.522981394,8.952443178,2.71065771,3.204917586,5.281728771,0.648007673,3.391793885,2.074000348,1.615147766,4.186959765,2.314976162,2.128127713,0.434770424,3.116000161,1.625560412,0.017049939,7.84E-23,6.96E-65,1.19E-128,3.93E-214,2.5E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.284657545,2.070655074,0.132600956,2.019225102,0.027768291,0.030493412,0.293879126,0.190784117,0.011449032,1.20E-04,5.52E-25,4.90E-67,8.38E-131,2.77E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.918890314,2.070878675,0.429994047,2.180509392,0.199358679,0.196026957,0.322177566,0.662473932,0.119307135,0.001251369,5.76E-24,5.11E-66,8.74E-130,2.88E-215,1.83E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.201577225,2.073633089,1.522538414,3.954774571,2.070495537,1.906799301,0.425982258,2.89255493,1.448345115,0.015191188,6.99E-23,6.20E-65,1.06E-128,3.50E-214,2.23E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.354271227,2.071168529,0.635696883,2.374719084,0.404824104,0.387643305,0.341740284,1.023510773,0.259150851,0.002718141,1.25E-23,1.11E-65,1.90E-129,6.26E-215,4.0E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.096080561,2.07554461,1.9601378,5.159586864,3.338783676,3.053102642,0.46749401,3.993691084,2.370726837,0.024865733,1.14E-22,1.01E-64,1.74E-128,5.73E-214,3.646E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.695901193,2.071473694,0.797990102,2.574701793,0.616022028,0.582450128,0.35716848,1.328030666,0.406390354,0.004262485,1.96E-23,1.74E-65,2.98E-129,9.82E-215,6.27E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.391000671,0.651198193,0.264447482,0.787387772,0.151207724,0.66099894,0.408034674,0.333320592,4.306646346,3.277162819,8.167765666,0.681081658,1.402354206,2.321137639,0.208543189,0.057010707,0.897338398,0.080621592,0.309731782,0.041692766,0.015491595,2.586691536,0.628276339,3.242564333,0.846007597,0.366916143,2.745735896,0.384668002,0.139397861,0.839725494,0.117642607,0.433304602,0.142200077,0.09261802,3.269801759,1.492568348,4.909601673,0.75958824,0.668122699,3.364486202,0.640266977,0.259311932,0.789032558,0.150154128,0.650693436,0.394445062,0.320500177,4.264065111,3.192649693,8.015316635,0.683548837,1.365638674,2.935145761,0.463025134,0.176121206,0.821182399,0.129543171,0.495147363,0.206156122,0.147844978,3.574292101,1.957536217,5.771185185,0.731773598,0.849148462,3.474017276,0.68541403,0.280525518,0.782443932,0.15437403,0.693791927,0.452053929,0.375083551,4.439956824,3.547966803,8.655894209,0.673665898,1.520929407,3.361319809,0.638961454,0.258698624,0.7892312,0.150026878,0.64946818,0.39283738,0.318985916,4.258979887,3.18262105,7.997221887,0.683846801,1.361291477 +UMLS0241,L,2-butene,C/C=C/C,62695,,UML,[1],C4H8,PubChem,,13.1,0,-0.0316,9.99E-04,20.5167,15.46793,0,0,15,5,10,0,5,0,0,0,0,0,0,0,0,0,731.481245,842.391485,656.816331,450.070322,132.247584,12.192768,0,0,0,2428.421953,3264.950672,3522.312267,2721.213111,1489.287352,373.0049332,0,0,0,104.88722,108.8789,191.049708,207.98804,145.079424,80.621568,0,0,0,18.39062905,25.0799431,31.07817501,26.0541382,16.02618505,5.335354858,0,0,0,2483.148301,2165.197258,4246.094839,5049.741717,3565.319649,2219.011824,0,0,0,22.52777778,27.58333333,40.16666667,40,28,12,0,0,0,48.76541633,56.15943233,24.32653078,15.00234407,6.297504,1.016064,0,0,0,161.8947969,217.6633782,130.4560099,90.70710369,70.91844535,31.08374443,0,0,0,6.992481333,7.258593333,7.075915111,6.932934667,6.908544,6.718464,0,0,0,1.226041937,1.671996207,1.151043519,0.868471273,0.763151669,0.444612905,0,0,0,165.54322,144.3464838,157.2627718,168.3247239,169.7771262,184.917652,0,0,0,1.501851852,1.838888889,1.487654321,1.333333333,1.333333333,1,0,0,0,0.020323964,-0.001653043,-0.01182387,0.002062553,-0.006079323,0.0073317,0,0,0,403.5533633,9.24E-14,-242.132018,2.49E-14,-121.066009,161.4213453,0,0,0,750.4247115,2.42E-13,-450.2548269,-2.06E-13,-225.1274134,300.1698846,0,0,0,0.079053333,1.13E-15,-0.047432,-4.52E-16,-0.023716,0.031621333,0,0,0,3.354747616,-1.33E-15,-2.01284857,3.05E-16,-1.006424285,1.341899046,0,0,0,18.22304229,5.46E-14,-10.93382538,-2.58E-14,-5.466912688,7.289216918,0,0,0,1.325925926,-0.355555556,-0.532962963,0.37037037,-0.572962963,0.428148148,0,0,0,0.001354931,-1.10E-04,-4.38E-04,6.88E-05,-2.89E-04,6.11E-04,0,0,0,26.90355756,6.16E-15,-8.967852519,8.29E-16,-5.765048048,13.45177878,0,0,0,50.0283141,1.61E-14,-16.6761047,-6.87E-15,-10.72035302,25.01415705,0,0,0,0.005270222,7.55E-17,-0.001756741,-1.51E-17,-0.001129333,0.002635111,0,0,0,0.223649841,-8.88E-17,-0.074549947,1.02E-17,-0.047924966,0.111824921,0,0,0,1.214869486,3.64E-15,-0.404956495,-8.59E-16,-0.260329176,0.607434743,0,0,0,0.088395062,-0.023703704,-0.019739369,0.012345679,-0.027283951,0.035679012,0,0,0,-0.08133468,-0.323205481,0.050741901,-0.213657796,0.450927075,0,0,0,2.29E-16,-0.333333333,3.08E-17,-0.214285714,0.5,0,0,0,3.22E-16,-0.333333333,-1.37E-16,-0.214285714,0.5,0,0,0,1.43E-14,-0.333333333,-2.86E-15,-0.214285714,0.5,0,0,0,-3.97E-16,-0.333333333,4.55E-17,-0.214285714,0.5,0,0,0,3.00E-15,-0.333333333,-7.07E-16,-0.214285714,0.5,0,0,0,-0.268156425,-0.223308504,0.139664804,-0.308659218,0.403631285,0,0,0,1.480769213,1.334400663,0.806259259,1.07211577,0.004786249,0,0,0,1.4,1.4,0.84,1,0,0,0,0,1.4,1.4,0.84,1,0,0,0,0,1.4,1.4,0.84,1,0,0,0,0,1.4,1.4,0.84,1,0,0,0,0,1.4,1.4,0.84,1,0,0,0,0,1.740223464,1.097144631,0.674581006,1.382681564,0,0,0,0,14.01721518,7.00860759,11.27121421,14.01721518,2.803443036,7.010645418,-7.11E-15,0.11781708,0.023563416,-1.069311014,15.8369439,3.167388779,1.381172716,14.01721518,7.00860759,11.27121421,14.01721518,2.803443036,7.010645418,-7.11E-15,0.11781708,0.023563416,-1.069311014,15.8369439,3.167388779,1.381172716,14.01721518,7.00860759,11.27121421,14.01721518,2.803443036,7.010645418,-7.11E-15,0.11781708,0.023563416,-1.069311014,15.8369439,3.167388779,1.381172716,14.01721518,7.00860759,11.27121421,14.01721518,2.803443036,7.010645418,-7.11E-15,0.11781708,0.023563416,-1.069311014,15.8369439,3.167388779,1.381172716,14.01721518,7.00860759,11.27121421,14.01721518,2.803443036,7.010645418,-7.11E-15,0.11781708,0.023563416,-1.069311014,15.8369439,3.167388779,1.381172716,14.01721518,7.00860759,11.27121421,14.01721518,2.803443036,7.010645418,-7.11E-15,0.11781708,0.023563416,-1.069311014,15.8369439,3.167388779,1.381172716,15.72929117,7.818812252,12.68500191,15.67429117,3.134858234,7.81967291,-0.091666667,0.062662112,0.012532422,-1.384999144,16.99660182,3.399320364,1.416506716,0,11.9,12.10006119,-0.149733405,0.050326441,5.030245864,6.626255313,5,15,15,15,5,0,0,0,0,0,10.93207,3.682792498,2.875308623,1.781050836,1.456797487,0.982407959,0.083923071,0.083923071,0.083923071,1.731768936,1.372874417,1.186353807,0.738867578,0.328877313,0.083923071,0.083923071,0.083923071,3.705577992,2.922305584,1.865524179,1.556142907,1.102192339,0.270913902,0.270913902,0.270913902,1.661104775,1.285229005,1.087403324,0.598810515,0.164625872,0.270913902,0.270913902,0.270913902,3.80594873,3.125058403,2.217061761,1.9628467,1.580076055,0.943918427,0.943918427,0.943918427,1.452975438,1.018928274,0.778724159,0.128859154,0.408087509,0.943918427,0.943918427,0.943918427,3.722369034,2.956757588,1.926828619,1.62787375,1.187918158,0.399277246,0.399277246,0.399277246,1.616026867,1.228596505,1.022817432,0.504890112,0.053030006,0.399277246,0.399277246,0.399277246,3.855033944,3.220804695,2.374691829,2.141548494,1.784308279,1.207644823,1.207644823,1.207644823,1.388431721,0.933903671,0.677326107,0.038744208,0.622754165,1.207644823,1.207644823,1.207644823,3.707302022,3.112760519,2.069458384,1.752482097,1.322178027,0.638297872,0.638297872,0.638297872,1.53422568,1.156737416,0.887361011,0.329217177,0.134849597,0.638297872,0.638297872,0.638297872,0,0,0,0,0,1,3,1,0,0.288675135,0.204124145,0,0,0,0.288675135,0.204124145,0,0,0,0.204124145,0,0,0,0.204124145,0,0,0,0.204124145,0,0,0.204124145,0,0,3.698670613,2.431851653,1.851623963,0.98559856,0.40824829,0,0,0,0.739734123,0.486370331,0.308603994,0.24639964,0.204124145,0,0,0,3.698670613,2.431851653,1.851623963,0.98559856,0.40824829,0,0,0,0.739734123,0.486370331,0.308603994,0.24639964,0.204124145,0,0,0,7.709139019,14.43918427,13.62745098,13.8,8.992772455,115.1412754,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.8064,23.015,9.863036119,15.50058986,19.72607224,3.945214447,9.863133662,0.087471204,0.017494241,-1.21822282,21.86654392,4.373308785,1.542478897,25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,1,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,2.261574074,0,4.4375,0,0,0,1.134259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.261574074,0,1.416666667,0,0,0,1.134259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.261574074,0,1.510416667,0,0,0,1.134259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.833333333,1.566666667,0.2,2.261574074,0.2,1.134259259,3.597935185,0.199074074,0.261574074,0.564814815,0.199074074,0.261574074,0.564814815,2.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.2,0.2,0,2.5,0.5,2.5,0.5,0,0,-2.5,-0.5,0,0,3.69192,0.73838,3.69192,0,0,2.43185,0.48637,2.43185,0,0,-0.01785,-0.00357,0.06815,0.01363,0.2,5,0,0,0,0,0,0,1,0.918295834,1.375279366,2.422579762,2.789898095,2.529438722,2.008519976,13.77443751,20.62919048,36.33869643,41.84847143,37.94158084,30.12779965,0.235045188,0.35201379,0.620078731,0.714096806,0.647430139,0.514096806,2.988594762,2.53161123,1.484310834,1.1169925,1.377451873,1.898370619,0.235045188,0.35201379,0.620078731,0.714096806,0.647430139,0.514096806,6.73287657,12.21667895,15.2909882,15.66118081,12.53566833,9.147658382,19.74937501,15.38420362,14.16553733,13.80209736,12.23934112,10.41612551,3.2,1,0.64,2,0,2,2.01,0.7045,0,1.44224957,0.5,0,1.889881575,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,2.397,6,4,2,0,0,0,0,0,0,22,1.791759469,1.945910149,1.609437912,1.098612289,0,0,0,0,0,0,3.135494216,1,0.333333333,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,2,0.4,0,2,3,0.5,1,0.5,0.222222222,0,0,0,0,0,0,0,0.2,0.166666667,0.111111111,0,0,0,0,0,0,0,0.477777778,7.00860759,11.27121421,14.01721518,2.803443036,7.010645418,0.11781708,0.023563416,-1.069311014,15.8369439,3.167388779,1.381172716,0,82.67992313,3.321928095,3.135494216,3.891820298,4.672828834,5.459585514,6.251903883,7.044905117,7.839525582,8.633908991,9.428913495,66.35888593,2.397895273,1.945910149,3.555348061,3.713572067,4.96284463,5.416100402,6.466144724,7.070724107,8.010027528,8.573573525,70.07825032,4.671883355,9.148995135,1.829799027,0,0,0,17,2,2.784,22,1.221991529,2.129836766,2.890562602,3.575741576,3.957294275,0,0,0,0,0,79.41842867,58.2582437,47.29149889,22.70914595,4.020864251,0,0,0,0,0,291.1981173,297.0357193,276.2956498,255.0258695,123.0075239,0,0,0,0,0,8.904472707,15.11714339,20.08368159,24.71003851,26.58693913,0,0,0,0,0,2.179976456,2.570988406,2.605231918,2.740346822,1.759464103,0,0,0,0,0,174.2401936,331.5469882,483.2461249,606.5318704,731.7735658,0,0,0,0,0,2.302665378,3.242026372,3.933700804,4.783214765,3.957294275,0,0,0,0,0,0.450977735,0.545979473,0.562767652,0.602820523,0.405226934,0,0,0,0,0,256.6821261,66.2375524,6.563890585,67.23721682,-17.35075496,-3.785954534,189.4449092,83.58830736,10.34984512,0.792426052,0.204487796,0.020263966,0.207573948,-0.053565047,-0.011687954,83.14430561,21.45562445,2.126171125,21.77943509,-5.620245146,-1.226343905,0.115761712,0.25161398,2.681247835,7.335277187,323.9193429,0,1,0,335.3540687,18.31267508,6.947595522,434.6627471,20.84856703,7.575026215,432.0882431,20.78673238,7.560040983,1.688363758,1.688363758,157.2644513,137.4258341,46.93762263,1.144358717,3.350498864,2.927839682,3.001683831,3.240213689,5.392784529,0.664329901,3.781026805,3.930937634,2.517814624,8.196214385,7.901092382,6.036825322,3.611057073,2.982824675,0.946125038,0.316790147,9.71E-17,5.74E-54,6.54E-113,1.44E-193,6.10E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.317315417,3.929710001,0.118398906,3.141252669,0.577110153,1.091860749,0.091059455,0.140991155,0.006663636,0.002231179,6.84E-19,4.04E-56,4.61E-115,1.01E-195,4.29E-298,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.024332755,3.929792253,0.443423082,3.769472041,1.156997989,1.806383574,0.433638288,0.52718167,0.069440225,0.023250604,7.12E-18,4.21E-55,4.80E-114,1.06E-194,4.48E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.568980875,3.930802928,2.312641825,7.743970789,7.12899382,5.629790018,3.262574566,2.740258408,0.842980375,0.282254317,8.65E-17,5.11E-54,5.83E-113,1.28E-193,5.43E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.509677992,3.929898698,0.715459,4.320563946,1.826782887,2.384428121,0.780428641,0.849858799,0.150833448,0.05050342,1.55E-17,9.15E-55,1.04E-113,2.29E-194,9.72E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.566137438,3.931504004,3.343652309,10.03278763,11.1273965,7.662327876,5.052331984,3.9588186,1.379834449,0.462008656,1.42E-16,8.37E-54,9.54E-113,2.10E-193,8.89E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.448757914,3.679120643,1.29027469,5.458047566,3.758702209,3.756353181,1.645337294,1.68672171,0.385474213,0.129067964,3.96E-17,2.34E-54,2.66E-113,5.86E-194,2.48E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.390234896,0.907446638,0.59431184,0.614141564,0.233157293,0.546805481,0.511768114,0.400293514,3.891993374,4.128861801,9.309923868,0.421212345,1.458867109,1.781511481,0.477551283,0.194420754,0.726115121,0.19464214,0.306765514,0.148395391,0.042643259,2.453483518,1.289971779,3.908861299,0.589172681,0.497804164,2.022965751,0.648270281,0.353576908,0.668790365,0.214317478,0.39376799,0.268075651,0.141449667,3.02481294,2.255915953,5.744419754,0.503185548,0.803293309,2.375135604,0.896800344,0.584443976,0.61589772,0.232549791,0.540020532,0.50031824,0.387107326,3.856379923,4.04228568,9.143544378,0.423846581,1.427446098,2.130731487,0.724372024,0.424374469,0.649716662,0.220880283,0.436080909,0.331990744,0.203930951,3.27947798,2.755075315,6.689550792,0.474574993,0.972002605,2.437514965,0.940779004,0.625195612,0.608847586,0.234989747,0.568324934,0.548404831,0.442977869,4.003489581,4.405257466,9.84242243,0.413271378,1.559707633,2.383635133,0.898509987,0.586001348,0.61622153,0.232284376,0.543629985,0.501198416,0.389173509,3.868146468,4.065061436,9.188258693,0.424332294,1.43400191 +UMLS0242,L,ethylcyclopropane,CCC1CC1,70933,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C5H10,PubChem,,16.3,0,0.3211,0.10310521,34.5894,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1323.6122,1609.182801,1369.168591,765.865803,337.132825,76.792464,6.096384,0,3823.307636,4994.447843,6928.73748,6798.918459,4813.210131,2744.755653,1071.022993,186.5024666,0,154.382624,159.970976,299.553156,386.446588,328.612332,261.712036,143.083584,40.310784,0,28.53578067,37.90082034,56.49561099,59.59379878,45.32188435,28.60461715,12.68152803,2.667677429,0,3603.201977,3158.070517,6448.554114,8873.344869,7690.087045,6523.616021,3724.295171,1109.505912,0,36.02777778,44.08333333,72.41666667,85.41666667,69.58333333,49,24.5,6,0,53.10626655,60.16419091,38.31387621,24.89397438,16.29501709,8.871916447,3.656784,1.016064,0,173.7867107,227.0203565,164.96994,123.6166993,102.4087262,72.23041192,51.00109489,31.08374443,0,7.017392,7.271408,7.132218,7.0263016,6.991751745,6.887158842,6.813504,6.718464,0,1.297080939,1.722764561,1.345133595,1.083523614,0.964295412,0.752753083,0.603882287,0.444612905,0,163.781908,143.5486599,153.5370027,161.3335431,163.6188733,171.6741058,177.3473891,184.917652,0,1.637626263,2.003787879,1.724206349,1.553030303,1.480496454,1.289473684,1.166666667,1,0,0.038119035,0.001229315,-0.010832833,-0.012716059,-0.012580655,0.007501188,0.00459209,0.003747436,0,616.3360458,5.47E-13,-131.0714643,-121.066009,-293.15984,25.01363822,116.0632814,96.05237078,0,1146.103196,7.11E-14,-243.7329848,-225.1274134,-545.1432408,46.5139284,215.8246278,178.613485,0,0.120736,1.75E-15,-0.025676,-0.023716,-0.057428,0.0049,0.022736,0.018816,0,5.123614541,1.08E-14,-1.089599846,-1.006424285,-2.437043929,0.207938902,0.964836504,0.798485383,0,27.8315555,-2.75E-14,-5.918723654,-5.466912688,-13.2380613,1.129527415,5.241007205,4.337385273,0,2.481060606,-0.16540404,-0.401974288,-0.30239899,-1.167871901,0.129935721,0.336260331,0.330922865,0,0.001732683,5.59E-05,-2.58E-04,-2.31E-04,-2.68E-04,1.97E-04,2.19E-04,6.25E-04,0,28.01527481,2.49E-14,-3.12074915,-2.201200164,-6.237443404,0.658253637,5.526822922,16.00872846,0,52.0955998,3.23E-15,-5.803166305,-4.093225699,-11.59879236,1.224050747,10.27736323,29.76891417,0,0.005488,7.96E-17,-6.11E-04,-4.31E-04,-0.001221872,1.29E-04,0.001082667,0.003136,0,0.23289157,4.92E-16,-0.025942853,-0.018298623,-0.051851998,0.005472076,0.045944595,0.133080897,0,1.265070705,-1.25E-15,-0.140921992,-0.099398413,-0.281660879,0.029724406,0.249571772,0.722897546,0,0.112775482,-0.007518365,-0.009570816,-0.005498163,-0.024848338,0.003419361,0.016012397,0.055153811,0,0.032249367,-0.148858462,-0.133435266,-0.154484948,0.113927156,0.126203631,0.360465555,0,8.88E-16,-0.111394558,-0.078571429,-0.222644377,0.023496241,0.197278912,0.571428571,0,6.20E-17,-0.111394558,-0.078571429,-0.222644377,0.023496241,0.197278912,0.571428571,0,1.45E-14,-0.111394558,-0.078571429,-0.222644377,0.023496241,0.197278912,0.571428571,0,2.11E-15,-0.111394558,-0.078571429,-0.222644377,0.023496241,0.197278912,0.571428571,0,-9.89E-16,-0.111394558,-0.078571429,-0.222644377,0.023496241,0.197278912,0.571428571,0,-0.066666667,-0.084866109,-0.048753181,-0.220334579,0.030320075,0.141984733,0.489058524,0,1.21420805,1.282828609,1.192564292,1.121270221,0.613334297,0.418586499,0.003477523,0,1.3125,1.227678571,1.05,1.140957447,0.759868421,0.491071429,0,0,1.3125,1.227678571,1.05,1.140957447,0.759868421,0.491071429,0,0,1.3125,1.227678571,1.05,1.140957447,0.759868421,0.491071429,0,0,1.3125,1.227678571,1.05,1.140957447,0.759868421,0.491071429,0,0,1.3125,1.227678571,1.05,1.140957447,0.759868421,0.491071429,0,0,1.378625954,1.122391858,1.030229008,1.205587137,0.75174769,0.554198473,0,0,29.98742356,14.99371178,22.21969322,29.98742356,3.748427945,14.99371293,-8.88E-15,0.083333613,0.010416702,-1.987922631,52.63640843,6.579551054,3.170726445,29.98742356,14.99371178,22.21969322,29.98742356,3.748427945,14.99371293,-8.88E-15,0.083333613,0.010416702,-1.987922631,52.63640843,6.579551054,3.170726445,29.98742356,14.99371178,22.21969322,29.98742356,3.748427945,14.99371293,-8.88E-15,0.083333613,0.010416702,-1.987922631,52.63640843,6.579551054,3.170726445,29.98742356,14.99371178,22.21969322,29.98742356,3.748427945,14.99371293,-8.88E-15,0.083333613,0.010416702,-1.987922631,52.63640843,6.579551054,3.170726445,29.98742356,14.99371178,22.21969322,29.98742356,3.748427945,14.99371293,-8.88E-15,0.083333613,0.010416702,-1.987922631,52.63640843,6.579551054,3.170726445,29.98742356,14.99371178,22.21969322,29.98742356,3.748427945,14.99371293,-8.88E-15,0.083333613,0.010416702,-1.987922631,52.63640843,6.579551054,3.170726445,31.21562047,15.54808801,22.87041426,31.12603713,3.890754642,15.54808864,-0.119444444,0.016005418,0.002000677,-3.307862405,44.56427317,5.570534147,3.03754599,0,11.9,12.10012615,-0.140790063,0.060071253,5.574058625,8.483505835,8,22,21,21,7,1,1,0,0,1,15.304898,3.683600447,3.084975764,2.690253282,2.551307512,1.669439616,1.368842765,1.215247725,0.331947217,1.986470499,1.634081875,1.304885732,1.18972002,0.790246299,0.582524023,0.520224388,0.083923071,3.702571948,3.121894608,2.731082716,2.597031279,1.759904148,1.466582739,1.328511186,0.462753053,1.939212714,1.555024728,1.216068291,1.102014014,0.65430463,0.435334422,0.371975565,0.270913902,3.788401093,3.285633429,2.913432947,2.794341958,2.132892348,1.870481733,1.779920381,0.957943155,1.806020704,1.318410308,0.950141221,0.83278145,0.202021271,0.054635156,0.139121741,0.943918427,3.716675023,3.149199151,2.761353297,2.63056079,1.825353361,1.53739202,1.409542569,0.554803489,1.909635733,1.504243229,1.158954374,1.045223552,0.563404681,0.336859843,0.271617569,0.399277246,3.831674251,3.365544702,3.003016882,2.887495228,2.298411028,2.049776428,1.972425132,1.207644823,1.766273585,1.24403123,0.866927677,0.745059808,0.042553562,0.22738011,0.327122379,1.155513482,3.744719508,3.206432459,2.817510126,2.699394407,1.936026264,1.660385315,1.523980718,0.711397764,1.881922099,1.421691557,1.10313433,0.921348555,0.422152314,0.18391269,0.11252046,0.607594937,0,0,0,1,1,1,5,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.072168784,0.051031036,0.204124145,0,0,0,0.144337567,0,0,0,0.49279928,0.594861352,0.49279928,0.348461713,0.420630496,0.348461713,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,5.612884175,3.611136987,2.461707742,1.83915195,1.225762193,0.820631906,0.262619204,0.102062073,0.701610522,0.451392123,0.273523082,0.183915195,0.122576219,0.082063191,0.065654801,0.051031036,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.82299,36.572,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,6,3,0,1,0,0,0,0,0,0,0,0,1,0,5,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,1.601041667,0.870833333,0,0.272916667,0,0,0,0,0,0,0,0,2.247175926,0,6.836157407,0,2.40625,0,0,0,0,1.677083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.677083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,0.243402778,0.290277778,0,0.272916667,0,0,0,0,0,0,0,0,2.247175926,0,1.277777778,0,2.40625,0,0,0,0,1.677083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.40625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,0.290277778,0.290277778,0,0.272916667,0,0,0,0,0,0,0,0,2.247175926,0,1.430231481,0,2.40625,0,0,0,0,1.677083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.16666667,1.645833333,0.290277778,2.40625,0.026041667,1.277777778,4.70308912,0.222222222,0.40625,1.327685185,0.222222222,0.40625,1.327685185,4,0.5,0,0,0.44545,0.7,0.43333,0.43333,0.7,0.01212,0.01212,0,0,0.71429,0,0,0.125,0.125,0,5,0.625,4,0.5,1,0.125,-3,-0.375,0,0,6.98249,0.87281,8.02289,1.0404,0.13005,3.41672,0.42709,3.93185,0.51512,0.06439,-0.01785,-0.00223,0.06815,0.00852,0.272727273,8,0,0,0,0,0,0,0.75,0.945660305,1.965767808,2.99285605,3.42511855,3.788754914,3.606936732,20.8045267,43.24689177,65.8428331,75.35260811,83.35260811,79.35260811,0.212058483,0.440811291,0.671129486,0.768061682,0.849604891,0.808833287,3.513771314,2.493663811,1.466575568,1.034313068,0.670676705,0.852494886,0.209052139,0.434561929,0.661614913,0.757172906,0.83756008,0.797366493,6.786633838,16.43114617,18.84273529,21.27695753,21.64343936,19.46162117,31.28312609,20.5112056,18.64729656,15.31463226,14.25322744,16.93624375,6.125,3.111111111,1.8,2,2,2,2.34,1.0842,0,2.00414513,0.5,0,7.732315986,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.076,0.353,0.392,4.039,9,10,10,10,4,2,0,0,0,61,2.302585093,2.564949357,2.772588722,2.833213344,2.890371758,1.945910149,1.386294361,0,0,0,4.465908119,1.409836066,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,2,0.25,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,0,131.9314183,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,110.1095504,5.004979566,15.69266546,1.961583183,0,0,0,64,7,3.424,34,1.276135462,2.232095873,3.019964262,3.781719338,4.525221306,5.271970409,6.066050872,0,0,0,90.56942421,95.66103743,81.22987437,68.29075825,43.86961642,20.10765015,6.163495913,0,0,0,321.932708,396.4350828,392.6357829,407.5869585,343.2228113,275.1303641,188.555575,0,0,0,9.323433332,15.98066774,21.27116839,26.49195394,31.2261225,35.95043428,40.75454441,0,0,0,2.373319277,3.172315135,3.396308442,3.774476128,3.523719654,3.233660557,2.697044499,0,0,0,180.4399535,338.3767324,483.3618773,615.0100567,772.1930248,932.5931046,1121.719884,0,0,0,2.651716781,3.971432496,4.787627605,5.672763956,5.943070807,6.213220958,6.066050872,0,0,0,0.489584152,0.664840114,0.72232157,0.811491862,0.771340006,0.722856888,0.621163609,0,0,0,294.3780963,123.4263786,8.767884469,37.07796007,-15.54598795,-2.240785366,257.3001362,138.9723666,11.00866983,0.888136121,0.372376296,0.02645263,0.111863879,-0.046902109,-0.00676043,97.57340289,40.91042072,2.906168409,12.28971442,-5.15281186,-0.742721881,0.136334936,0.202181433,3.012992024,2.320791703,331.4560564,0,1,0,487.5544177,22.08063445,7.870597416,623.3852351,24.96768382,8.542510159,810.182204,28.46369976,9.322396416,1.905095408,1.800160031,447.7183604,366.5275881,140.0340218,1.2215134,3.197211325,2.617418134,4.028081598,3.986298689,6.891246362,0.728733068,3.986411483,4.211295412,3.405886986,18.39718263,12.84944152,9.040805983,11.73691964,10.09849771,3.147410231,4.602726862,3.821397231,1.565939478,0.30644046,8.05E-17,4.08E-54,3.99E-113,7.52E-194,2.73E-296,0,0,0,0,0,0,0,0,0,0,0,0,0.334685095,4.211023988,0.356390505,6.019392684,4.933538926,0.792723885,2.103326101,1.312017487,0.242847019,0.186530985,0.147025267,0.011029041,0.002158285,5.67E-19,2.87E-56,2.81E-115,5.30E-196,1.93E-298,0,0,0,0,0,0,0,0,0,0,0,0,1.080080303,4.211042652,0.923710945,7.870674277,5.845119146,1.983511902,3.470362515,2.340980125,0.598080469,0.733727188,0.589056948,0.114931101,0.022490996,5.91E-18,2.99E-55,2.93E-114,5.52E-195,2.01E-297,0,0,0,0,0,0,0,0,0,0,0,0,3.76285541,4.211265799,3.199689884,17.40052825,12.11570442,8.361520427,10.93511524,9.290124883,2.885522317,4.20705089,3.487499578,1.395223883,0.273032932,7.17E-17,3.64E-54,3.55E-113,6.70E-194,2.44E-296,0,0,0,0,0,0,0,0,0,0,0,0,1.591770745,4.211066373,1.32953287,9.342028401,6.679989149,2.947279414,4.586760092,3.274340043,0.912500248,1.214542463,0.98394525,0.249645706,0.048853449,1.28E-17,6.50E-55,6.36E-114,1.20E-194,4.36E-297,0,0,0,0,0,0,0,0,0,0,0,0,4.814138997,4.211419815,4.191493178,22.35859252,15.84900953,11.75384903,14.94639898,13.39863769,4.212521464,6.210027911,5.181380437,2.283775555,0.44691461,1.17E-16,5.95E-54,5.82E-113,1.10E-193,3.99E-296,0,0,0,0,0,0,0,0,0,0,0,0,2.428600612,3.927525433,2.005196018,12.07651734,8.649874051,4.830132812,6.664692268,4.866191672,1.534900063,2.244076927,1.802887967,0.578100399,0.113129117,2.97E-17,1.51E-54,1.47E-113,2.78E-194,1.01E-296,0,0,0,0,0,0,0,0,0,0,0,0,4.10576026,1.565981669,0.696385859,0.644735847,0.245909272,0.569080095,0.458314943,0.402502894,6.368127787,10.37926618,21.22483839,0.46710377,1.429897932,3.066548578,1.014008128,0.268519808,0.705103387,0.233154815,0.318274837,0.191426804,0.058400061,4.349076514,4.205215485,9.389255733,0.55765508,0.568101702,3.462198275,1.223968296,0.431760016,0.676484552,0.239153156,0.405236756,0.27924047,0.152594254,5.117926587,6.260920277,13.20848214,0.514726828,0.837071479,4.078238468,1.551344498,0.685088645,0.6458354,0.245673028,0.561505677,0.449730799,0.389346791,6.314671611,10.18351618,20.8325743,0.468753101,1.400583267,3.645600328,1.321377232,0.507276352,0.665953824,0.241380333,0.449103078,0.325678554,0.211555038,5.474253913,7.33684353,15.25475582,0.498930736,0.98633667,4.192557692,1.612149862,0.732004498,0.641386321,0.246630087,0.59330034,0.485932231,0.44544423,6.536712052,11.00810334,22.49245671,0.462079481,1.5246768,4.082873269,1.554033364,0.686566673,0.645669408,0.245756294,0.562652166,0.451320806,0.390838939,6.323473307,10.21503352,20.89471832,0.468504113,1.404811911 +UMLS0243,L,1-ethylcyclohexene,CCC1=CCCCC1,73937,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C8H14,PubChem,,15.4,0,0.2605,0.06786025,30.385,20.321516,0,0,19,7,12,0,7,0,0,0,0,0,0,0,0,0,1022.041615,1155.133903,1415.474264,894.974644,498.498674,137.327904,12.192768,0,0,3337.623245,4341.457709,6015.190369,5028.739183,3180.159576,1644.706075,373.0049332,0,0,133.40518,138.195196,256.823648,308.879824,236.458568,178.671744,80.621568,0,0,24.85765486,32.88483172,48.80792084,45.66340132,30.50831544,18.24924958,5.335354858,0,0,3106.572317,2725.031065,5524.351915,7109.005898,5662.231908,4489.90791,2219.011824,0,0,31.77777778,39.08333333,62.41666667,67.66666667,50,33,12,0,0,53.79166395,60.79652121,39.31872956,20.34033282,14.66172571,5.281842462,1.016064,0,0,175.6643813,228.4977741,167.0886214,114.2895269,93.53410519,63.25792595,31.08374443,0,0,7.021325263,7.273431368,7.133990222,7.019996,6.954663765,6.871990154,6.718464,0,0,1.308297624,1.730780617,1.355775579,1.037804576,0.897303395,0.701894215,0.444612905,0,0,163.5038062,143.4226876,153.4542199,161.5683159,166.5362326,172.6887658,184.917652,0,0,1.67251462,2.057017544,1.733796296,1.537878788,1.470588235,1.269230769,1,0,0,0.034329708,0.002770763,-0.011960057,-0.016100604,-0.003842859,0.003214467,0.008753434,0,0,535.2391977,5.47E-13,-90.21262166,-264.6013327,-91.21871038,-18.78032273,197.1933886,0,0,995.3001436,-1.14E-13,-167.7542222,-492.037477,-169.6250871,-34.92281206,366.6895266,0,0,0.104849684,1.51E-15,-0.017672033,-0.051833584,-0.017869119,-0.003678936,0.038628831,0,0,4.449454733,3.83E-15,-0.749939426,-2.199636456,-0.758303062,-0.156121219,1.639272796,0,0,24.16950873,7.99E-14,-4.073682862,-11.94846014,-4.119114269,-0.848052938,8.904555847,0,0,2.298245614,0.054093567,-0.475915666,-0.667282241,-0.633117882,-0.150815636,0.723915051,0,0,0.001806827,1.46E-04,-3.32E-04,-3.66E-04,-1.13E-04,1.24E-04,7.29E-04,0,0,28.17048409,2.88E-14,-2.505906157,-6.013666652,-2.682903247,-0.722320105,16.43278239,0,0,52.38421809,-5.98E-15,-4.659839506,-11.18266993,-4.988973151,-1.343185079,30.55746055,0,0,0.005518404,7.95E-17,-4.91E-04,-0.001178036,-5.26E-04,-1.41E-04,0.003219069,0,0,0.234181828,2.02E-16,-0.020831651,-0.049991738,-0.022303031,-0.006004662,0.136606066,0,0,1.272079407,4.21E-15,-0.113157857,-0.271555912,-0.12115042,-0.032617421,0.742046321,0,0,0.120960295,0.00284703,-0.01321988,-0.015165505,-0.018621114,-0.005800601,0.060326254,0,0,0.080710359,-0.183871415,-0.202522355,-0.062554559,0.068425688,0.403720407,0,0,1.02E-15,-0.088955026,-0.213474026,-0.095238095,-0.025641026,0.583333333,0,0,-1.14E-16,-0.088955026,-0.213474026,-0.095238095,-0.025641026,0.583333333,0,0,1.44E-14,-0.088955026,-0.213474026,-0.095238095,-0.025641026,0.583333333,0,0,8.61E-16,-0.088955026,-0.213474026,-0.095238095,-0.025641026,0.583333333,0,0,3.31E-15,-0.088955026,-0.213474026,-0.095238095,-0.025641026,0.583333333,0,0,0.023536896,-0.109291066,-0.125375896,-0.15394402,-0.04795459,0.498727735,0,0,1.13274714,1.329657001,1.21871547,0.946942311,0.607318117,3.02E-05,0,0,1.285714286,1.1875,1.156655844,0.957983193,0.782967033,0,0,0,1.285714286,1.1875,1.156655844,0.957983193,0.782967033,0,0,0,1.285714286,1.1875,1.156655844,0.957983193,0.782967033,0,0,0,1.285714286,1.1875,1.156655844,0.957983193,0.782967033,0,0,0,1.285714286,1.1875,1.156655844,0.957983193,0.782967033,0,0,0,1.270992366,1.075699746,1.033396947,1.209362371,0.828391075,0,0,0,22.33131976,11.16565988,16.59450323,22.33131976,3.190188537,11.16570537,0,0.012010821,0.001715832,-3.095363085,30.70247468,4.386067811,2.397040282,22.33131976,11.16565988,16.59450323,22.33131976,3.190188537,11.16570537,0,0.012010821,0.001715832,-3.095363085,30.70247468,4.386067811,2.397040282,22.33131976,11.16565988,16.59450323,22.33131976,3.190188537,11.16570537,0,0.012010821,0.001715832,-3.095363085,30.70247468,4.386067811,2.397040282,22.33131976,11.16565988,16.59450323,22.33131976,3.190188537,11.16570537,0,0.012010821,0.001715832,-3.095363085,30.70247468,4.386067811,2.397040282,22.33131976,11.16565988,16.59450323,22.33131976,3.190188537,11.16570537,0,0.012010821,0.001715832,-3.095363085,30.70247468,4.386067811,2.397040282,22.33131976,11.16565988,16.59450323,22.33131976,3.190188537,11.16570537,0,0.012010821,0.001715832,-3.095363085,30.70247468,4.386067811,2.397040282,23.399173,11.64403094,17.38784816,23.31980792,3.331401131,11.64405931,-0.111111111,0.144008003,0.020572572,-1.356520485,47.9471755,6.8495965,2.709069926,0,11.9,12.10010405,-0.140785442,0.060055051,5.567746159,8.12075542,7,19,18,18,6,1,1,0,0,1,13.118484,3.683512363,3.005424373,2.459820995,2.265102816,1.487699285,1.19006016,0.332938624,0.083923071,1.80842916,1.724171079,1.379547586,0.757863935,0.716241921,0.534766514,0.083923071,0.083923071,3.702706798,3.041063134,2.510897621,2.321187631,1.576939567,1.30885592,0.463238555,0.270913902,1.759483328,1.655976007,1.284890431,0.62194973,0.593769576,0.383336744,0.270913902,0.270913902,3.78938905,3.200914984,2.734801489,2.562151644,1.947412168,1.778468089,0.957943357,0.943918427,1.625890144,1.452583651,0.990535844,0.201782036,0.172849073,0.136070527,0.943918427,0.943918427,3.71696761,3.067513959,2.548571849,2.362287994,1.641687551,1.39352899,0.555069904,0.399277246,1.729245753,1.612285733,1.223144641,0.531260614,0.513074922,0.28095272,0.399277246,0.399277246,3.832995587,3.280011414,2.841861735,2.674787544,2.112559368,1.978039144,1.207644823,1.207644823,1.587349885,1.38842831,0.894476279,0.069253554,0.016182923,0.3258016,1.155503498,1.207644823,3.73450398,3.170989913,2.545858143,2.448149357,1.779452257,1.501208438,0.702521668,0.6,1.662497911,1.619242426,1.082548481,0.427824154,0.365161005,0.125409777,0.6,0.6,0,0,0,1,1,1,4,0,0,0,0,0.144337567,0.102062073,0.102062073,0,0,0.125,0.072168784,0.072168784,0.204124145,0,0,0,0.144337567,0,0,0,0.49279928,0.594861352,0.204124145,0.348461713,0.420630496,0.144337567,5.112884175,3.431851653,2.558730745,2.052095141,1.418611262,0.49279928,0.204124145,0,0.730412025,0.490264522,0.319841343,0.228010571,0.157623474,0.12319982,0.102062073,0,4.905777394,3.073132185,2.154030206,1.654030206,1.11779928,0.348461713,0.144337567,0,0.700825342,0.439018884,0.269253776,0.183781134,0.12419992,0.087115428,0.072168784,0,10.25096682,18.32702112,17.35294118,17.56,11.79132695,144.9122251,0.53952457,0.964580059,0.913312693,0.924210526,0.620596155,7.626959218,2.43289,31.955,22.87726984,33.16178179,45.75453968,6.536362811,22.87726984,0.106509552,0.01521565,-1.567664427,23.73191568,3.390273668,2.216774557,44,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,3,0,1,0,0,0,0,0,0,0,0,1,0,4,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.923611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,1.067361111,0.870833333,0,0.300694444,0,0,0,0,0,0,0,0,2.139537037,0,5.603518519,0,2.256944444,0,0,0,0,1.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.243402778,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.139537037,0,1.371527778,0,2.256944444,0,0,0,0,1.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.256944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.290277778,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.139537037,0,1.430231481,0,2.256944444,0,0,0,0,1.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.66666667,1.666666667,0.300694444,2.256944444,0.041666667,1.371527778,4.02212037,0.128472222,0.256944444,0.792962963,0.128472222,0.256944444,0.792962963,3.5,0.5,0,0,0.44737,0.7,0.43333,0.43333,0.7,0.01404,0.01404,0,0,0.71429,0,0,0.14286,0.14286,0,4.5,0.64286,3.5,0.5,1,0.14286,-2.5,-0.35714,0,0,5.56011,0.7943,6.53706,0.97695,0.13956,2.85606,0.40801,3.43185,0.57578,0.08225,-0.01785,-0.00255,0.06815,0.00974,0.263157895,7,0,0,0,0,0,0,0.714285714,0.949452015,2.034572366,2.945038698,2.945038698,2.945038698,2.774243303,18.03958829,38.65687495,55.95573525,55.95573525,55.95573525,52.71062276,0.223509467,0.47895647,0.69328836,0.69328836,0.69328836,0.653081601,3.298475498,2.213355148,1.302888816,1.302888816,1.302888816,1.473684211,0.219682511,0.470755719,0.681417792,0.681417792,0.681417792,0.641899458,6.790838447,16.93938967,17.85698043,17.85698043,17.85698043,17.68484856,27.3155423,17.47469193,17.50060573,17.50060573,17.50060573,17.90861771,5.142857143,2.34375,1.185185185,2,2,2,2.23,0.9433,0,1.850535862,0.5,0,5.676240019,3.789291416,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.076,0.353,0.392,3.54,8,9,9,4,2,0,0,0,0,46,2.197224577,2.48490665,2.63905733,2.63905733,2.197224577,1.609437912,0,0,0,0,4.17438727,1.391304348,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,0,2,4,1,1,0.444444444,0.222222222,0.125,0,0,0,0,0,0,0.142857143,0.055555556,0.055555556,0.0625,0,0,0,0,0,0,0.316468254,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,0,114.6354337,3.807354922,3.433987204,4.17438727,4.934473933,5.693732139,6.459904454,7.22329568,7.990576882,8.755107122,9.522446728,72.18791141,2.708050201,0,3.850147602,2.397895273,5.176149733,4.442651256,6.577861358,6.259581464,8.017966703,8.436416881,96.09390038,5.057573704,13.58523637,1.940748052,0,0,0,43,4,2.96,30,1.239457228,2.151698946,2.979603922,3.889938682,4.579829517,5.509673842,0,0,0,0,87.45856707,94.22851111,68.69177131,63.27338926,26.11997219,5.598181242,0,0,0,0,311.4935087,386.2651968,366.0341215,383.5035237,304.2675945,171.2612936,0,0,0,0,9.0538378,15.4077651,20.9842818,27.10519075,31.54200563,37.01654536,0,0,0,0,2.298669515,3.078134483,3.255184148,3.616060495,3.330961727,2.449672091,0,0,0,0,175.3549641,326.0923514,476.4144726,643.9687352,785.3521966,1018.83595,0,0,0,0,2.639310926,3.847187669,4.716610584,5.83666783,5.944091838,5.509673842,0,0,0,0,0.474273664,0.644668247,0.69506632,0.780450716,0.735298044,0.564190601,0,0,0,0,333.8880745,123.4624327,10.10433958,117.5865078,-43.48018817,-7.262850975,216.3015667,166.9426209,17.36719055,0.739550104,0.273464858,0.02238075,0.260449896,-0.096307057,-0.016086954,150.741979,55.74015024,4.56185249,53.0873195,-19.63019979,-3.27899261,0.15384097,0.23761053,3.702765778,10.37934521,451.4745823,0,1,0,457.6819865,21.39350337,7.706454286,577.9032487,24.03961831,8.329489377,710.6616996,26.65823887,8.923891954,1.567999467,1.406748628,340.9473622,276.4462749,91.28005873,1.233322324,3.73517904,3.028550581,3.660589129,3.387704423,6.50664836,0.920665898,4.920225518,5.90497026,1.826471591,7.409141201,12.89954964,4.179194668,6.817005128,5.988206283,3.167199234,2.847746902,0.702074193,1.099814786,2.69E-11,1.40E-43,1.41E-97,2.72E-173,1.02E-270,0,0,0,0,0,0,0,0,0,0,0,0,0,0.412926721,5.900650084,0.149904828,5.238958527,1.38637208,1.023939393,0.616717179,0.320010618,0.14686107,0.140194018,0.005015209,0.007746085,1.89E-13,9.86E-46,9.90E-100,1.92E-175,7.17E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,1.332962497,5.900938876,0.486123463,5.385038135,2.95636206,1.572438613,1.107307003,1.118653014,0.461167162,0.517663966,0.051709256,0.080720183,1.97E-12,1.03E-44,1.03E-98,2.00E-174,7.47E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,4.644291915,5.904495981,1.721709223,7.171250455,11.91874939,3.952227778,6.163251139,5.514428507,2.87538465,2.620012739,0.62558397,0.979915174,2.40E-11,1.25E-43,1.25E-97,2.43E-173,9.07E-271,0,0,0,0,0,0,0,0,0,0,0,0,0,1.964538215,5.901313212,0.718709842,5.573473242,4.265737321,1.977338583,1.674201354,1.773299647,0.766660643,0.828805556,0.112146069,0.175335023,4.29E-12,2.23E-44,2.24E-98,4.34E-174,1.62E-271,0,0,0,0,0,0,0,0,0,0,0,0,0,5.941883449,5.906964512,2.216771302,8.40920146,16.84435675,5.057933287,9.548869059,7.886335518,4.369047437,3.761317316,1.023679462,1.603976503,3.92E-11,2.04E-43,2.05E-97,3.97E-173,1.48E-270,0,0,0,0,0,0,0,0,0,0,0,0,0,2.961581622,5.624819979,1.094137712,5.937489488,6.605067696,2.700816785,2.942812931,3.168519812,1.363762343,1.576913886,0.252911643,0.395933323,9.68E-12,5.04E-44,5.06E-98,9.81E-174,3.66E-271,0,0,0,0,0,0,0,0,0,0,0,0,0,3.779939401,1.412017809,0.49489584,0.664680337,0.248295111,0.527299946,0.529738874,0.357466683,5.686853049,7.906819772,16.23510105,0.497020505,1.414505503,2.737521624,0.814868402,0.139481258,0.741499747,0.220719613,0.277864996,0.179332741,0.028783564,3.691871283,2.726211698,6.729226594,0.612249621,0.485981302,3.130803498,1.041758719,0.27408157,0.70408237,0.234279778,0.362453886,0.291455154,0.110550746,4.446643786,4.405164244,9.745736538,0.556123556,0.764459786,3.751950195,1.396140876,0.485402782,0.666007684,0.247828597,0.519540883,0.518137846,0.344000981,5.633493852,7.737148756,15.91330423,0.499011526,1.381679711,3.314635461,1.147085528,0.336765132,0.690766916,0.239051546,0.405939092,0.352331648,0.166495654,4.798486121,5.304722427,11.38364695,0.536150375,0.924766394,3.868341756,1.462119482,0.524864906,0.660653508,0.249707607,0.552193096,0.567151414,0.401645653,5.855326144,8.453749882,17.27770031,0.490980262,1.520990162,3.763194189,1.396130262,0.486272441,0.666571536,0.247295421,0.52265821,0.518219767,0.345127345,5.645596892,7.762746583,15.96317477,0.499857303,1.386005322 +UMLS0244,L,ethylidenecyclopentane,CC=C1CCCC1,75068,,UML,[1],C7H12,PubChem,,15.8,0,1.7916,3.20983056,33.3186,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1128.97815,908.097796,655.971627,438.979298,129.199392,12.192768,0,3399.790734,4147.41404,5230.324054,5174.559544,4007.765156,2637.560239,1396.036119,373.0049332,0,146.842108,144.889944,255.179544,322.71592,331.339116,207.588872,124.924032,80.621568,0,25.74688067,32.32302034,44.11934665,47.22155854,39.0771832,25.38520679,14.69234634,5.335354858,0,3476.407621,2904.481805,5640.598507,7447.046097,8192.95574,5081.536821,3010.566693,2219.011824,0,41.27777778,45.91666667,63.16666667,76.83333333,70.33333333,50.66666667,34,12,0,48.76541633,51.7541979,31.36050417,19.74125643,13.66607556,14.63264327,7.177744,1.016064,0,161.8947969,207.370702,145.2867793,112.4904249,83.49510741,87.91867463,77.55756218,31.08374443,0,6.992481333,7.2444972,7.088320667,7.015563478,6.90289825,6.919629067,6.940224,6.718464,0,1.226041937,1.616151017,1.225537407,1.02655562,0.814107983,0.84617356,0.816241463,0.444612905,0,165.54322,145.2240902,156.6832919,161.8923065,170.6865779,169.3845607,167.2537052,184.917652,0,1.965608466,2.295833333,1.75462963,1.670289855,1.465277778,1.688888889,1.888888889,1,0,0.048614112,-0.008700041,-0.014862665,-0.011615173,0.011549405,0.001092174,-0.016595794,0.014825037,0,564.9747087,-53.80711511,-121.066009,-269.0355756,121.066009,40.35533633,-161.4213453,161.4213453,0,1050.594596,-100.0566282,-225.1274134,-500.283141,225.1274134,75.04247115,-300.1698846,300.1698846,0,0.110674667,-0.010540444,-0.023716,-0.052702222,0.023716,0.007905333,-0.031621333,0.031621333,0,4.696646663,-0.447299682,-1.006424285,-2.236498411,1.006424285,0.335474762,-1.341899046,1.341899046,0,25.51225921,-2.429738973,-5.466912688,-12.14869486,5.466912688,1.822304229,-7.289216918,7.289216918,0,5.701058201,-1.333018393,-0.146258503,-2.07797934,1.101284958,1.702191988,-3.188208617,1.091458806,0,0.002314958,-4.35E-04,-4.13E-04,-2.53E-04,2.41E-04,3.64E-05,-9.22E-04,0.00123542,0,26.90355756,-2.690355756,-3.362944694,-5.848599469,2.522208521,1.345177878,-8.967852519,13.45177878,0,50.0283141,-5.00283141,-6.253539262,-10.87572046,4.690154447,2.501415705,-16.6761047,25.01415705,0,0.005270222,-5.27E-04,-6.59E-04,-0.0011457,4.94E-04,2.64E-04,-0.001756741,0.002635111,0,0.223649841,-0.022364984,-0.02795623,-0.048619531,0.020967173,0.011182492,-0.074549947,0.111824921,0,1.214869486,-0.121486949,-0.151858686,-0.264102062,0.113894014,0.060743474,-0.404956495,0.607434743,0,0.271478962,-0.06665092,-0.004062736,-0.045173464,0.022943437,0.056739733,-0.177122701,0.0909549,0,-0.187909282,-0.178340968,-0.109074891,0.103938226,0.015726338,-0.398274459,0.533668395,0,-0.1,-0.125,-0.217391304,0.09375,0.05,-0.333333333,0.5,0,-0.1,-0.125,-0.217391304,0.09375,0.05,-0.333333333,0.5,0,-0.1,-0.125,-0.217391304,0.09375,0.05,-0.333333333,0.5,0,-0.1,-0.125,-0.217391304,0.09375,0.05,-0.333333333,0.5,0,-0.1,-0.125,-0.217391304,0.09375,0.05,-0.333333333,0.5,0,-0.245510441,-0.014965197,-0.16639766,0.084512761,0.20900232,-0.652436195,0.335034803,0,1.481441121,1.113287401,0.985567125,0.611971507,1.03906695,1.788735893,0.184404708,0,1.5,1.25,1.211180124,0.714285714,0.785714286,1.19047619,0,0,1.5,1.25,1.211180124,0.714285714,0.785714286,1.19047619,0,0,1.5,1.25,1.211180124,0.714285714,0.785714286,1.19047619,0,0,1.5,1.25,1.211180124,0.714285714,0.785714286,1.19047619,0,0,1.5,1.25,1.211180124,0.714285714,0.785714286,1.19047619,0,0,1.603016241,0.751160093,0.988247755,0.653712297,0.831554524,2.728538283,0,0,28.8318408,14.4159204,22.99572531,28.8318408,4.1188344,14.41592203,5.33E-15,0.004596284,6.57E-04,-3.767754927,27.30702869,3.901004098,2.315000891,28.8318408,14.4159204,22.99572531,28.8318408,4.1188344,14.41592203,5.33E-15,0.004596284,6.57E-04,-3.767754927,27.30702869,3.901004098,2.315000891,28.8318408,14.4159204,22.99572531,28.8318408,4.1188344,14.41592203,5.33E-15,0.004596284,6.57E-04,-3.767754927,27.30702869,3.901004098,2.315000891,28.8318408,14.4159204,22.99572531,28.8318408,4.1188344,14.41592203,5.33E-15,0.004596284,6.57E-04,-3.767754927,27.30702869,3.901004098,2.315000891,28.8318408,14.4159204,22.99572531,28.8318408,4.1188344,14.41592203,5.33E-15,0.004596284,6.57E-04,-3.767754927,27.30702869,3.901004098,2.315000891,28.8318408,14.4159204,22.99572531,28.8318408,4.1188344,14.41592203,5.33E-15,0.004596284,6.57E-04,-3.767754927,27.30702869,3.901004098,2.315000891,42.14051198,20.84009726,34.04653151,41.81171379,5.973101971,20.84009726,-0.46031746,0.054493426,0.007784775,-2.036772641,81.66712991,11.66673284,3.081856116,0,11.79,12.21004853,-0.306943849,0.113277173,5.124354143,7.527014309,6,20,19,19,5,1,1,0,0,1,15.304898,3.511226078,3.17815254,2.502088448,2.333552793,1.677874242,1.015006016,0.896816804,0.083923071,1.904201349,1.6454847,1.249629723,1.231382495,0.763969108,0.385956623,0.34663143,0.083923071,3.537288356,3.208963088,2.554193602,2.405454588,1.763317894,1.133260358,1.026852155,0.270913902,1.845884547,1.576555513,1.134540686,1.132557369,0.629753567,0.228859662,0.184781385,0.270913902,3.652665697,3.346285496,2.780430765,2.704236987,2.12037713,1.605401227,1.534042242,0.943918427,1.675845741,1.373967718,0.824629917,0.76031856,0.1873097,0.309713935,0.376347145,0.943918427,3.556530951,3.231775521,2.592501456,2.457539916,1.825430717,1.217909366,1.119088318,0.399277246,1.80887708,1.532624684,1.068063193,1.058262671,0.540284741,0.122704544,0.075018613,0.399277246,3.709296644,3.413920675,2.887519361,2.838982085,2.280978429,1.807406359,1.746688137,1.207644823,1.623314239,1.31125671,0.723786145,0.631337262,0.033240315,0.506710004,0.584946739,1.207644823,3.578882583,3.312890162,2.645054716,2.539329401,1.858686995,1.283366644,1.191743762,0.525,1.875843426,1.457098672,0.964329401,0.945970083,0.474060471,0.063858688,0.046206478,0.525,0,0,1,1,0,2,2,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.204124145,0.288675135,0.166666667,0.11785113,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,5.276020882,2.87944541,2.259872254,0.948141081,0.451184464,0.23570226,0,0,0.753717269,0.479907568,0.376645376,0.23703527,0.150394821,0.11785113,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,5,1,0,2,0,0,0,0,0,0,0,0,2,1,2,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.604861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.382708333,0.324097222,0,0,1.193194444,0.290277778,0,0.706805556,0,0,0,0,0,0,0,0,4.451388889,3.632638889,2.445601852,0,1.972222222,0,0.831481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.972222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.382708333,0.324097222,0,0,0.216944444,0.290277778,0,0.324097222,0,0,0,0,0,0,0,0,2.225694444,3.632638889,1.164351852,0,1.972222222,0,0.831481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.632638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.382708333,0.324097222,0,0,0.290277778,0.290277778,0,0.382708333,0,0,0,0,0,0,0,0,2.225694444,3.632638889,1.28125,0,1.972222222,0,0.831481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.904761905,0.382708333,3.632638889,0.216944444,0.831481481,5.162561111,0.501851852,0.632638889,2.168055556,0.501851852,0.632638889,2.168055556,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.76528,0.82361,7.02591,1.26063,0.18009,2.70517,0.38645,3.27005,0.56488,0.0807,0.14395,0.02056,0.14395,0.02056,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.258572884,3.272804327,3.272804327,3.272804327,2.854488382,19.28421252,47.43003057,68.72889087,68.72889087,68.72889087,59.94425603,0.209068641,0.51420985,0.745120175,0.745120175,0.745120175,0.64988208,3.474021589,2.133744538,1.119513095,1.119513095,1.119513095,1.53782904,0.209068641,0.51420985,0.745120175,0.745120175,0.745120175,0.64988208,6.73287657,17.32307969,18.34524753,18.34524753,18.34524753,13.32545619,27.64912502,16.73002464,15.60677914,15.60677914,15.60677914,13.09688347,7,4.166666667,6,7,2,6,2.23,1.0519,0.814325285,3.639717277,1.889881575,0,2.381101578,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.126,0.12,0.128,0.152,2.932,6,4,3,2,0,0,0,0,0,28,2.079441542,2.079441542,1.791759469,1.609437912,1.609437912,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,0,126.9918924,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,98.10955045,4.671883355,12.67036528,1.810052182,0,0,0,52,4,3.896,24,1.2236,2.129805771,2.90320683,3.525824063,4.552293614,5.738814291,6.52823228,0,0,0,73.7959167,75.34723427,65.53211699,60.1447077,79.75571867,43.44959456,6.633101803,0,0,0,278.2003652,333.6774204,348.5169226,332.9019736,445.8457672,462.1180758,202.9219038,0,0,0,8.897867644,15.15092507,20.41112829,24.44323811,31.63611931,39.90991728,43.85969355,0,0,0,2.110244062,2.757551346,3.109479509,3.118721633,4.155033289,4.820435855,2.902536317,0,0,0,175.6104775,329.820158,466.9705002,594.0132533,760.8327059,953.3652666,1207.185385,0,0,0,2.871720833,3.874587783,4.973170761,5.47840528,8.233662975,11.13145997,6.52823228,0,0,0,0.43759575,0.581389068,0.664519283,0.673569051,0.896074366,1.054366968,0.668490985,0,0,0,375.2784268,167.9524201,12.00918231,141.0472018,-63.12438232,-9.76167714,234.231225,231.0768024,21.77085945,0.7268251,0.325283912,0.023258931,0.2731749,-0.122256922,-0.018906048,193.7658696,86.7181389,6.200648606,72.82628513,-32.59273638,-5.040204086,0.126535804,0.229320633,2.611682677,5.956967169,516.3256286,0,1,0,393.1393776,19.82774263,7.32569526,529.3948196,23.00858143,8.089590956,609.0868159,24.67968427,8.476691927,1.789790272,1.789790272,499.1080606,451.9033891,75.96234525,1.104457441,6.570466709,5.949044723,4.063535081,4.466160583,7.717755953,0.728051603,4.149594424,4.863397538,3.333269437,16.50992002,6.317316331,4.080911794,5.548119764,10.2135394,3.544765911,3.725408709,1.273631101,2.097021497,1.603892999,0.017469281,6.94E-04,5.32E-27,7.87E-72,2.25E-138,1.24E-226,0,0,0,0,0,0,0,0,0,0,0,0.348257413,4.863167153,0.205800507,6.153933963,0.54389457,0.176453188,0.439703913,0.330510888,1.695926027,0.135318353,0.099487625,0.089595978,0.074438967,1.23E-04,4.89E-06,3.75E-29,5.55E-74,1.58E-140,8.71E-229,0,0,0,0,0,0,0,0,0,0,0,1.124191339,4.863183026,0.713068779,7.380494728,0.940378803,0.671866435,1.293698522,1.399192727,2.002303174,0.5523052,0.301149179,0.345892392,0.279942268,0.001282148,5.09E-05,3.91E-28,5.78E-73,1.65E-139,9.07E-228,0,0,0,0,0,0,0,0,0,0,0,3.916879296,4.863372414,3.095423953,15.5620307,5.687227932,3.735198161,5.168615549,9.272904767,3.4064601,3.393896772,1.188305557,1.919838597,1.472517222,0.015564815,6.18E-04,4.74E-27,7.01E-72,2.00E-138,1.10E-226,0,0,0,0,0,0,0,0,0,0,0,1.656845653,4.863203173,1.100223246,8.485952959,1.444743075,1.101494472,1.935980448,2.414484607,2.233705964,0.932329212,0.450868329,0.56739787,0.45269257,0.002784995,1.11E-04,8.48E-28,1.26E-72,3.58E-139,1.97E-227,0,0,0,0,0,0,0,0,0,0,0,5.011233796,4.863503078,4.266569845,20.37594115,8.96435816,5.48206711,7.029066127,14.07733772,4.08537327,5.079708284,1.604819334,2.814691954,2.133173501,0.025477303,0.001011965,7.76E-27,1.15E-71,3.28E-138,1.80E-226,0,0,0,0,0,0,0,0,0,0,0,2.28124299,3.447539503,1.497780426,8.952399171,2.038510543,1.510018192,3.017143174,3.648034555,2.711096597,1.685349913,0.728168894,0.845975295,0.713069388,0.004814972,1.91E-04,1.47E-27,2.17E-72,6.19E-139,3.41E-227,0,0,0,0,0,0,0,0,0,0,0,5.079413303,1.190441397,0.499803971,0.750320444,0.175849545,0.477890624,0.478812508,0.387114028,6.769658671,9.180442144,18.97228741,0.625480667,1.34381716,4.494378878,0.628754745,0.146756833,0.852841044,0.119310781,0.374876155,0.135674875,0.033068672,5.269890456,3.577716912,9.262321934,0.779261566,0.543619703,4.726451713,0.851207759,0.287890238,0.805798595,0.145119861,0.414223998,0.246713262,0.128329886,5.86554971,5.628946084,12.65273361,0.708697892,0.789267146,5.064901007,1.176488014,0.491139614,0.752302928,0.174746827,0.475181552,0.467784901,0.373849337,6.732528635,9.024188722,18.68331779,0.628454392,1.316815791,4.830017052,0.950688374,0.350354131,0.787794835,0.155061024,0.432425488,0.306957622,0.190291096,6.131059557,6.617135083,14.35696512,0.681692253,0.929674206,5.124856698,1.234133499,0.526912702,0.744253408,0.179226097,0.486424609,0.514157428,0.430078824,6.885902898,9.67539003,19.8938879,0.616380112,1.430660862,5.10925525,1.17587767,0.490273636,0.754088365,0.173550865,0.483538919,0.46727616,0.372519721,6.775406556,9.089294131,18.81019564,0.631132547,1.3233348 +UMLS0245,L,5-Methyl-1-Hexene,CC(C)CCC=C,77058,,"Sandia, UML",[1],C7H14,PubChem,,11.5,0,0.399,0.159201,32.5422,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1323.6122,1631.364849,1131.100829,812.342836,472.25237,109.049472,8.128512,0,3823.307636,4994.447843,7096.043224,6472.99861,4546.018674,2888.518855,1290.897864,248.6699554,0,154.382624,159.970976,300.351492,413.273012,345.997264,208.786376,137.562624,53.747712,0,28.53578067,37.90082034,57.8334738,59.35940183,42.97962751,27.39200101,14.24370934,3.556903239,0,3603.201977,3158.070517,6384.963905,9602.081652,8472.872644,4986.151509,3443.992206,1479.341216,0,40.02777778,46.08333333,71.41666667,87.16666667,72.66666667,52,30,8,0,53.10626655,60.16419091,38.84202021,19.17120049,16.24685672,15.74174567,5.4524736,1.016064,0,173.7867107,227.0203565,168.9534101,109.7118408,90.92037348,96.28396182,64.54489321,31.08374443,0,7.017392,7.271408,7.151226,7.004627322,6.91994528,6.959545867,6.8781312,6.718464,0,1.297080939,1.722764561,1.376987471,1.006091556,0.85959255,0.9130667,0.712185467,0.444612905,0,163.781908,143.5486599,152.0229501,162.7471466,169.4574529,166.2050503,172.1996103,184.917652,0,1.819444444,2.09469697,1.700396825,1.47740113,1.453333333,1.733333333,1.5,1,0,0.049191036,-0.004881374,-0.021563587,-0.008314317,0.014111615,-0.010529294,-0.004707359,0.011288799,0,616.3360458,5.47E-13,-219.1194708,-299.1631131,184.1003773,-70.03818702,-32.01745693,128.0698277,0,1146.103196,7.11E-14,-407.4620128,-556.3065836,342.342513,-130.2389995,-59.53782835,238.1513134,0,0.120736,1.75E-15,-0.042924,-0.058604,0.036064,-0.01372,-0.006272,0.025088,0,5.123614541,1.08E-14,-1.82154478,-2.486949266,1.530430317,-0.582228925,-0.266161794,1.064647177,0,27.8315555,-2.75E-14,-9.894660155,-13.50914788,8.313321774,-3.162676762,-1.445795091,5.783180365,0,4.814393939,-0.09469697,-1.157024793,-0.579258494,1.300619835,-1.193870523,-1.245408632,0.562442608,0,0.002235956,-2.22E-04,-5.13E-04,-1.41E-04,2.82E-04,-3.51E-04,-2.35E-04,0.0014111,0,28.01527481,2.49E-14,-5.217130258,-5.07056124,3.682007546,-2.334606234,-1.600872846,16.00872846,0,52.0955998,3.23E-15,-9.701476494,-9.428925146,6.84685026,-4.341299984,-2.976891417,29.76891417,0,0.005488,7.96E-17,-0.001022,-9.93E-04,7.21E-04,-4.57E-04,-3.14E-04,0.003136,0,0.23289157,4.92E-16,-0.043370114,-0.042151682,0.030608606,-0.019407631,-0.01330809,0.133080897,0,1.265070705,-1.25E-15,-0.235587147,-0.228968608,0.166266435,-0.105422559,-0.072289755,0.722897546,0,0.218836088,-0.004304408,-0.027548209,-0.009817941,0.026012397,-0.039795684,-0.062270432,0.070305326,0,-0.099232996,-0.229619324,-0.063024771,0.126224432,-0.156969302,-0.105265016,0.631094594,0,8.88E-16,-0.18622449,-0.180992736,0.131428571,-0.083333333,-0.057142857,0.571428571,0,6.20E-17,-0.18622449,-0.180992736,0.131428571,-0.083333333,-0.057142857,0.571428571,0,1.45E-14,-0.18622449,-0.180992736,0.131428571,-0.083333333,-0.057142857,0.571428571,0,2.11E-15,-0.18622449,-0.180992736,0.131428571,-0.083333333,-0.057142857,0.571428571,0,-9.89E-16,-0.18622449,-0.180992736,0.131428571,-0.083333333,-0.057142857,0.571428571,0,-0.019669552,-0.12588513,-0.044864358,0.118867034,-0.18185156,-0.284552846,0.321269342,0,1.315186281,1.169182123,0.818899021,0.706214528,1.411047013,1.289571324,0.151455894,0,1.3125,1.325892857,1.118644068,0.70125,0.9625,0.825,0,0,1.3125,1.325892857,1.118644068,0.70125,0.9625,0.825,0,0,1.3125,1.325892857,1.118644068,0.70125,0.9625,0.825,0,0,1.3125,1.325892857,1.118644068,0.70125,0.9625,0.825,0,0,1.3125,1.325892857,1.118644068,0.70125,0.9625,0.825,0,0,1.283241542,0.800550747,0.696182107,0.685790716,1.890165224,1.853815893,0,0,32.52478503,16.26239252,25.35579446,32.52478503,4.065598129,16.26239283,1.42E-14,0.082732117,0.010341515,-1.993717914,44.83580716,5.604475895,3.04240567,32.52478503,16.26239252,25.35579446,32.52478503,4.065598129,16.26239283,1.42E-14,0.082732117,0.010341515,-1.993717914,44.83580716,5.604475895,3.04240567,32.52478503,16.26239252,25.35579446,32.52478503,4.065598129,16.26239283,1.42E-14,0.082732117,0.010341515,-1.993717914,44.83580716,5.604475895,3.04240567,32.52478503,16.26239252,25.35579446,32.52478503,4.065598129,16.26239283,1.42E-14,0.082732117,0.010341515,-1.993717914,44.83580716,5.604475895,3.04240567,32.52478503,16.26239252,25.35579446,32.52478503,4.065598129,16.26239283,1.42E-14,0.082732117,0.010341515,-1.993717914,44.83580716,5.604475895,3.04240567,32.52478503,16.26239252,25.35579446,32.52478503,4.065598129,16.26239283,1.42E-14,0.082732117,0.010341515,-1.993717914,44.83580716,5.604475895,3.04240567,42.64679479,21.04567156,33.22618248,42.39592673,5.299490841,21.04567156,-0.501736111,0.001260075,1.58E-04,-5.341267441,83.88695733,10.48586967,3.543576117,0,11.9,12.10012615,-0.151369992,0.048771545,5.291496289,8.476005233,8,22,21,21,7,1,1,0,0,1,15.304898,3.662218115,3.225846208,2.553522539,2.459820995,1.886670148,1.19006016,1.026700296,0.843440736,1.855634373,1.724171079,1.517171096,1.003122568,0.757863935,0.614075904,0.38311908,0.321736599,3.685276435,3.253892541,2.59619932,2.510897621,1.959761661,1.30885592,1.14299574,0.977305787,1.802602734,1.655976007,1.446969171,0.88920511,0.62194973,0.468509025,0.225290522,0.157371509,3.786873652,3.378890799,2.787551796,2.734801489,2.272916149,1.778468089,1.610144964,1.497057007,1.649506061,1.452583651,1.242411596,0.52927419,0.172849073,0.018403269,0.31761894,0.415245832,3.702270703,3.274651959,2.627902611,2.548571849,2.013350184,1.39352899,1.22645299,1.072105334,1.769091053,1.612285733,1.402370428,0.814416762,0.531260614,0.370931979,0.118533178,0.045726907,3.836554821,3.440584462,2.881570433,2.841861735,2.417544908,1.978039144,1.810922199,1.713934906,1.602639243,1.38842831,1.179745805,0.410138071,0.016182923,0.190415773,0.517285623,0.629578931,3.711444867,3.473730257,2.677150086,2.517084881,2.08657615,1.476397775,1.390409689,1.187268894,1.798758859,1.648648631,1.223794154,0.643981364,0.45326776,0.270993745,0.027666595,0.118221342,0,0,1,1,0,0,5,1,0,0,0,0.144337567,0.102062073,0.072168784,0,0,0.144337567,0.102062073,0.058925565,0.204124145,0,0,0,0.204124145,0,0,0,0.433012702,0.65464793,0.348461713,0.406526265,0.556186218,0.23570226,5.819990956,3.931851653,2.939157589,2.171668296,1.707286396,0.696923425,0.348461713,0.144337567,0.72749887,0.491481457,0.326573065,0.21716683,0.155207854,0.116153904,0.087115428,0.072168784,5.397341225,3.541241452,2.674859849,1.974744871,1.481767492,0.537457479,0.23570226,0.083333333,0.674667653,0.442655182,0.29720665,0.197474487,0.134706136,0.089576246,0.058925565,0.041666667,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.67889,36.502,28.3399353,42.00992493,56.67987059,7.084983824,28.3399353,0.132422925,0.016552866,-1.6174036,28.94593476,3.618241845,2.692343817,64,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,6,1,0,2,0,0,0,0,0,0,0,0,0,1,5,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.775740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.372708333,0.308472222,0,0,1.418819444,0.290277778,0,0.681180556,0,0,0,0,0,0,0,0,0,3.724166667,7.064537037,0,2.051574074,0,0.993055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.051574074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.372708333,0.308472222,0,0,0.216944444,0.290277778,0,0.308472222,0,0,0,0,0,0,0,0,0,3.724166667,1.25,0,2.051574074,0,0.993055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.724166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.372708333,0.308472222,0,0,0.290277778,0.290277778,0,0.372708333,0,0,0,0,0,0,0,0,0,3.724166667,1.456851852,0,2.051574074,0,0.993055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.83333333,1.729166667,0.372708333,3.724166667,0.216944444,0.993055556,5.585881204,0.340277778,0.724166667,1.551481481,0.340277778,0.724166667,1.551481481,4,0.5,0,0,0.44545,0.7,0.43333,0.43333,0.7,0.01212,0.01212,0,0,0.71429,0,0,0.125,0.125,0,5,0.625,4,0.5,1,0.125,-3,-0.375,0,0,6.59802,0.82475,7.89328,1.29526,0.16191,3.36697,0.42087,3.93185,0.56488,0.07061,-0.01785,-0.00223,0.06815,0.00852,0.227272727,8,0,0,0,0,0,0,0.75,0.945660305,2.149948196,3.004886164,3.368522528,3.277613437,3.277613437,20.8045267,47.2988603,66.10749561,74.10749561,72.10749561,72.10749561,0.212058483,0.482112605,0.673827165,0.755370374,0.734984571,0.734984571,3.513771314,2.309483423,1.454545455,1.090909091,1.181818182,1.181818182,0.209052139,0.475277716,0.664274347,0.744661521,0.724564728,0.724564728,6.786633838,15.99465439,18.85485954,19.22134137,18.13043228,18.13043228,31.28312609,22.27281892,18.32168256,17.65341839,18.99492654,18.99492654,6.125,3.111111111,1.8,3,2,3,2.34,1.0842,0,1.969259364,0.333333333,0,7.383136998,4.242640687,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.112,0.12,0.278,0.36,3.787,9,10,11,6,4,2,0,0,0,58,2.302585093,2.397895273,2.48490665,2.63905733,2.197224577,1.945910149,1.609437912,0,0,0,4.248495242,1.189655172,0.4,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,2,0.25,0,3,5,0.666666667,1,0.444444444,0.222222222,0.125,0.08,0,0,0,0,0,0.125,0.049382716,0.044444444,0.03125,0.04,0,0,0,0,0,0.29007716,17.3202091,26.77952867,34.64041819,4.330052274,17.3202092,0.159650778,0.019956347,-1.467813191,38.78435029,4.848043786,2.926413458,0,131.9314183,4,3.555348061,4.290459441,5.056245805,5.814130532,6.588926478,7.353081921,8.129469765,8.896040502,9.672374832,75.35607734,2.833213344,0,3.970291914,2.397895273,5.283203729,4.442651256,6.680854679,6.259581464,8.12474302,8.529319371,110.1095504,5.004979566,15.59010547,1.948763183,0,0,0,67,5,4.125,34,1.340021709,2.41350245,3.233077098,3.993336318,5.217096557,6.247772257,7.571309665,0,0,0,99.9300888,104.5512648,71.24753346,79.90470072,96.30506326,37.69825355,7.692935184,0,0,0,349.3264646,437.8101234,380.2785719,410.9495863,547.9487087,430.6590884,235.3446546,0,0,0,9.805629928,17.32426794,22.70085869,27.76216526,36.43271103,43.10372949,50.86757142,0,0,0,2.553319293,3.504206498,3.406128452,3.739945859,5.057659329,4.668655472,3.366301984,0,0,0,188.5116474,362.2991139,522.3180137,667.1652446,857.8793252,1065.450679,1400.068806,0,0,0,2.871998287,4.175396642,4.85900156,6.116539186,9.442848529,9.763329023,7.571309665,0,0,0,0.525871984,0.734133318,0.728536705,0.803836657,1.087789128,1.028714876,0.77530211,0,0,0,313.7791326,147.0685216,10.94937795,81.8922884,-38.38297876,-6.084736434,231.8868442,185.4515003,17.03411439,0.793029559,0.371693566,0.027672906,0.206970441,-0.097007205,-0.015378256,124.1534353,58.19081092,4.332355934,32.40243812,-15.18704775,-2.407556311,0.120841565,0.218949556,2.240194338,5.56361996,395.671421,0,1,0,423.0736634,20.56875454,7.507096474,559.3291054,23.65013965,8.23927768,675.4014319,25.98848653,8.773791824,1.48472677,1.48472677,658.4559569,607.024828,108.2880557,1.084726566,6.080596358,5.605648972,4.476373959,4.57798827,8.976997812,0.960904503,4.149594424,3.613625303,3.113942626,12.96496409,10.28484916,9.059633236,6.130198732,12.28042333,3.382755525,3.638054029,4.464258667,3.625981442,1.803096583,0.530913911,1.431733632,0.103842129,0.94846531,1.32E-12,3.55E-46,1.84E-101,1.83E-178,3.53E-277,0,0,0,0,0,0,0,0,0.348257413,3.613414091,0.801241431,5.203619297,0.723407955,1.85843348,0.317832374,1.06557227,0.184588428,1.048450496,1.697941603,0.124633666,0.427320766,0.015089191,0.12015108,7.31E-04,0.006680119,9.30E-15,2.50E-48,1.29E-103,1.29E-180,2.49E-279,0,0,0,0,0,0,0,0,1.124191339,3.613428684,1.168843267,6.500402135,1.7220732,2.815878031,1.069102413,2.469034114,0.656605715,1.436229773,2.192525004,0.520722238,0.542374426,0.068126093,0.387865234,0.007621433,0.069611988,9.69E-14,2.60E-47,1.35E-102,1.35E-179,2.59E-278,0,0,0,0,0,0,0,0,3.916879296,3.613602283,2.935402767,12.38812166,9.362354584,8.437484677,5.620425396,11.28051683,3.123006108,3.429705024,4.270114422,3.298917367,1.660228102,0.480849785,1.351436726,0.09252147,0.845065516,1.18E-12,3.16E-46,1.64E-101,1.63E-178,3.15E-277,0,0,0,0,0,0,0,0,1.656845653,3.613447169,1.452209645,7.475959613,2.690599547,3.625297792,1.714033116,3.695457753,1.034313097,1.744238685,2.55284947,0.887226873,0.670576151,0.120049535,0.571644926,0.016554763,0.151206539,2.10E-13,5.65E-47,2.93E-102,2.92E-179,5.63E-278,0,0,0,0,0,0,0,0,5.011233796,3.613721991,3.816958335,15.21622291,14.08323988,11.56901761,8.192452285,16.33840259,4.417112385,4.466038188,5.211237212,4.964930859,2.398660651,0.737267964,1.729040067,0.151443976,1.383247517,1.93E-12,5.17E-46,2.68E-101,2.67E-178,5.15E-277,0,0,0,0,0,0,0,0,2.488252073,2.904059566,1.836649737,8.126609894,4.108535224,4.345587339,2.586763029,5.939250227,1.480402356,3.014772723,4.166522754,1.707242154,1.133913425,0.273293258,0.951857387,0.034729635,0.317210637,4.42E-13,1.19E-46,6.14E-102,6.13E-179,1.18E-277,0,0,0,0,0,0,0,0,5.982173212,1.231032251,0.778290034,0.748567426,0.154042789,0.463791944,0.346078566,0.424846593,7.991495497,12.97821408,26.70123053,0.622851139,1.234717103,5.260856028,0.725403205,0.258420961,0.842454035,0.116163388,0.358413881,0.117960879,0.048080551,6.244680195,5.363216692,12.59409377,0.763681053,0.524455312,5.535461064,0.917033326,0.457369047,0.801095581,0.132713669,0.396916203,0.189343612,0.149305543,6.909863437,8.027373483,17.25893472,0.701643371,0.735565358,5.963068102,1.217544189,0.764634719,0.750520166,0.15324183,0.460824064,0.338269093,0.410408763,7.94524701,12.75084438,26.24756802,0.625780248,1.20950192,5.662758115,1.006221277,0.549166471,0.784516997,0.139401627,0.415437617,0.228679364,0.214271242,7.218145864,9.360367581,19.70765724,0.676775495,0.858388223,6.042427438,1.273606092,0.821315408,0.742554791,0.156513639,0.473215243,0.371393686,0.471863421,8.137348937,13.70444346,28.1623667,0.613832186,1.316472349,6.019859594,1.214735085,0.764875906,0.75253225,0.151851935,0.469644972,0.336822296,0.410483087,7.999470584,12.84610181,26.43875396,0.628798374,1.216950354 +UMLS0246,L,allylcyclopentane,C=CCC1CCCC1,77059,,UML,[1],C8H14,PubChem,,6.5,0,0.3366,0.11329956,27.6768,20.321516,0,0,19,7,12,0,7,0,0,0,0,0,0,0,0,0,1022.041615,1155.133903,1437.656312,923.253076,480.380882,109.049472,8.128512,0,0,3337.623245,4341.457709,6182.496113,5382.547393,3137.18881,1290.897864,248.6699554,0,0,133.40518,138.195196,257.621984,349.988944,262.534088,137.562624,53.747712,0,0,24.85765486,32.88483172,50.14578365,49.66894156,30.94890425,14.24370934,3.556903239,0,0,3106.572317,2725.031065,5460.761706,8154.921601,6465.492725,3443.992206,1479.341216,0,0,35.77777778,40.75,62.41666667,77,60,30,8,0,0,53.79166395,60.79652121,39.93489756,18.46506152,12.64160216,5.4524736,1.016064,0,0,175.6643813,228.4977741,171.7360031,107.6509479,82.55760027,64.54489321,31.08374443,0,0,7.021325263,7.273431368,7.156166222,6.99977888,6.908791789,6.8781312,6.718464,0,0,1.308297624,1.730780617,1.392938435,0.993378831,0.814444849,0.712185467,0.444612905,0,0,163.5038062,143.4226876,151.6878252,163.098432,170.1445454,172.1996103,184.917652,0,0,1.883040936,2.144736842,1.733796296,1.54,1.578947368,1.5,1,0,0,0.044475773,-0.006452118,-0.015629742,-0.003505805,-0.003472291,-0.004472427,0.011294498,0,0,535.2391977,5.47E-13,-179.4191546,-255.2111713,63.71895211,-28.17048409,131.4622591,0,0,995.3001436,-1.14E-13,-333.6375795,-474.576071,118.4881123,-52.38421809,244.4596844,0,0,0.104849684,1.51E-15,-0.035146981,-0.049994116,0.012482105,-0.005518404,0.025752554,0,0,4.449454733,3.83E-15,-1.491515214,-2.121575847,0.529696992,-0.234181828,1.092848531,0,0,24.16950873,7.99E-14,-8.101934317,-11.52443367,2.877322468,-1.272079407,5.936370565,0,0,4.614035088,-0.23245614,-1.056709757,0.202831641,-0.619883041,-1.231148046,0.630347799,0,0,0.00234083,-3.40E-04,-4.34E-04,-7.01E-05,-9.14E-05,-2.24E-04,0.001411812,0,0,28.17048409,2.88E-14,-4.983865406,-5.104223427,1.676814529,-1.408524204,16.43278239,0,0,52.38421809,-5.98E-15,-9.267710541,-9.49152142,3.118108219,-2.619210904,30.55746055,0,0,0.005518404,7.95E-17,-9.76E-04,-1.00E-03,3.28E-04,-2.76E-04,0.003219069,0,0,0.234181828,2.02E-16,-0.041430978,-0.042431517,0.013939395,-0.011709091,0.136606066,0,0,1.272079407,4.21E-15,-0.225053731,-0.230488673,0.075719012,-0.06360397,0.742046321,0,0,0.242843952,-0.012234534,-0.029353049,0.004056633,-0.016312712,-0.061557402,0.078793475,0,0,-0.145070405,-0.185472448,-0.029953523,-0.039035763,-0.095530798,0.603124613,0,0,1.02E-15,-0.176917989,-0.181190476,0.05952381,-0.05,0.583333333,0,0,-1.14E-16,-0.176917989,-0.181190476,0.05952381,-0.05,0.583333333,0,0,1.44E-14,-0.176917989,-0.181190476,0.05952381,-0.05,0.583333333,0,0,8.61E-16,-0.176917989,-0.181190476,0.05952381,-0.05,0.583333333,0,0,3.31E-15,-0.176917989,-0.181190476,0.05952381,-0.05,0.583333333,0,0,-0.050380228,-0.12087206,0.016704689,-0.067173638,-0.253485425,0.324461343,0,0,1.33245062,1.085728473,0.841339943,1.027352626,1.217110675,0.143575346,0,0,1.285714286,1.300595238,1.099285714,0.75,0.814285714,0,0,0,1.285714286,1.300595238,1.099285714,0.75,0.814285714,0,0,0,1.285714286,1.300595238,1.099285714,0.75,0.814285714,0,0,0,1.285714286,1.300595238,1.099285714,0.75,0.814285714,0,0,0,1.285714286,1.300595238,1.099285714,0.75,0.814285714,0,0,0,1.294676806,0.779626109,0.689201521,1.33460076,1.657984791,0,0,0,23.27665866,11.63832933,17.73944786,23.27665866,3.325236951,11.6383582,1.78E-15,0.022398577,0.003199797,-2.659130503,31.4430322,4.491861743,2.413724185,23.27665866,11.63832933,17.73944786,23.27665866,3.325236951,11.6383582,1.78E-15,0.022398577,0.003199797,-2.659130503,31.4430322,4.491861743,2.413724185,23.27665866,11.63832933,17.73944786,23.27665866,3.325236951,11.6383582,1.78E-15,0.022398577,0.003199797,-2.659130503,31.4430322,4.491861743,2.413724185,23.27665866,11.63832933,17.73944786,23.27665866,3.325236951,11.6383582,1.78E-15,0.022398577,0.003199797,-2.659130503,31.4430322,4.491861743,2.413724185,23.27665866,11.63832933,17.73944786,23.27665866,3.325236951,11.6383582,1.78E-15,0.022398577,0.003199797,-2.659130503,31.4430322,4.491861743,2.413724185,23.27665866,11.63832933,17.73944786,23.27665866,3.325236951,11.6383582,1.78E-15,0.022398577,0.003199797,-2.659130503,31.4430322,4.491861743,2.413724185,30.95636411,15.23284583,23.40047382,30.74718043,4.392454348,15.23284658,-0.488095238,0.05939218,0.008484597,-1.9765149,28.47401388,4.067716268,2.344294314,0,11.9,12.10010405,-0.149682251,0.050498337,5.424496404,8.246004522,7,19,18,18,6,1,1,0,0,1,13.118484,3.65943775,3.062931799,2.459820995,2.276023046,1.252896619,1.19006016,0.775783793,0.083923071,1.816609684,1.724171079,1.359962127,0.757863935,0.673187849,0.480104826,0.27759317,0.083923071,3.6817759,3.093514313,2.510897621,2.327441441,1.356403366,1.30885592,0.911808362,0.270913902,1.764897389,1.655976007,1.2774331,0.62194973,0.536658724,0.326176078,0.11120858,0.270913902,3.780650548,3.229890323,2.734801489,2.556886468,1.780114764,1.778468089,1.440122043,0.943918427,1.617267415,1.452583651,1.031676803,0.172849073,0.090430226,0.202310649,0.468991783,0.943918427,3.698264013,3.116159632,2.548571849,2.365617407,1.431183072,1.39352899,1.008172626,0.399277246,1.732365443,1.612285733,1.22451373,0.531260614,0.445868815,0.222114728,0.001852194,0.399277246,3.829256076,3.297145086,2.841861735,2.668295565,1.978039144,1.965727632,1.660407845,1.207644823,1.572602879,1.38842831,0.954967524,0.016182923,0.062619991,0.396041538,0.686300785,1.207644823,3.716362572,3.327386356,2.502834505,2.388100927,1.5833016,1.464109918,1.127455658,0.567567568,1.742966149,1.663224988,0.98486971,0.465881597,0.35024952,0.079651004,0.150264406,0.567567568,0,0,1,1,0,0,4,1,0,0,0,0.144337567,0.102062073,0.102062073,0,0,0.144337567,0.083333333,0.058925565,0.204124145,0,0,0,0.166666667,0,0,0,0.49279928,0.594861352,0.204124145,0.353553391,0.416666667,0.11785113,5.112884175,3.431851653,2.558730745,2.052095141,1.418611262,0.49279928,0.204124145,0,0.730412025,0.490264522,0.319841343,0.228010571,0.157623474,0.12319982,0.102062073,0,4.690234444,3.058078205,2.280238966,1.733163248,1.193092357,0.333333333,0.11785113,0,0.670033492,0.436868315,0.285029871,0.192573694,0.132565817,0.083333333,0.058925565,0,10.25096682,18.32702112,17.35294118,17.56,11.79132695,144.9122251,0.53952457,0.964580059,0.913312693,0.924210526,0.620596155,7.626959218,2.28879,31.885,22.87726984,33.16178179,45.75453968,6.536362811,22.87726984,0.106509552,0.01521565,-1.567664427,23.73191568,3.390273668,2.216774557,44,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,5,1,0,2,0,0,0,0,0,0,0,0,0,1,4,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.832962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.370972222,0.300694444,0,0,1.228333333,0.290277778,0,0.671666667,0,0,0,0,0,0,0,0,0,3.742685185,5.639259259,0,2.090277778,0,0.861111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.090277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.370972222,0.300694444,0,0,0.225625,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,0,3.742685185,1.392361111,0,2.090277778,0,0.861111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.742685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.370972222,0.300694444,0,0,0.290277778,0.290277778,0,0.370972222,0,0,0,0,0,0,0,0,0,3.742685185,1.427268519,0,2.090277778,0,0.861111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.33333333,1.761904762,0.370972222,3.742685185,0.225625,0.861111111,4.859546852,0.472222222,0.742685185,1.665925926,0.472222222,0.742685185,1.665925926,3.5,0.5,0,0,0.44737,0.7,0.43333,0.43333,0.7,0.01404,0.01404,0,0,0.71429,0,0,0.14286,0.14286,0,4.5,0.64286,3.5,0.5,1,0.14286,-2.5,-0.35714,0,0,5.28429,0.7549,6.53706,1.25276,0.17897,2.89384,0.41341,3.43185,0.53801,0.07686,-0.01785,-0.00255,0.06815,0.00974,0.263157895,7,0,0,0,0,0,0,0.714285714,0.949452015,2.075074223,2.668980145,3.090032777,2.984769619,3.090032777,18.03958829,39.42641024,50.71062276,58.71062276,56.71062276,58.71062276,0.223509467,0.488490968,0.628301716,0.727421258,0.702641373,0.727421258,3.298475498,2.17285329,1.578947368,1.157894737,1.263157895,1.157894737,0.219682511,0.480126966,0.617543857,0.714966262,0.690610661,0.714966262,6.790838447,14.66606636,17.57876171,18.00310909,16.7399512,18.00310909,27.3155423,21.23940132,17.56411273,17.1465506,18.56629429,17.1465506,5.142857143,2.34375,1.185185185,2,2,2,2.23,0.9433,0,1.850535862,0.5,0,5.676240019,3.789291416,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.112,0.12,0.278,0.36,3.288,8,9,9,4,2,0,0,0,0,46,2.197224577,2.302585093,2.48490665,2.48490665,1.945910149,1.609437912,0,0,0,0,4.043051268,1.217391304,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,1,0.142857143,0,2,4,1,1,0.444444444,0.222222222,0.125,0,0,0,0,0,0,0.142857143,0.055555556,0.055555556,0.0625,0,0,0,0,0,0,0.316468254,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,0,114.6354337,3.807354922,3.433987204,4.17438727,4.934473933,5.693732139,6.459904454,7.22329568,7.990576882,8.755107122,9.522446728,72.18791141,2.708050201,0,3.850147602,2.397895273,5.176149733,4.442651256,6.577861358,6.259581464,8.017966703,8.436416881,96.09390038,5.057573704,13.58523637,1.940748052,0,0,0,43,4,3.552,30,1.354288295,2.455621176,3.278372091,4.073059705,5.192731087,6.384067799,0,0,0,0,102.7261747,108.9714026,69.3889608,62.65577099,31.40588214,6.486621464,0,0,0,0,357.0927512,452.174673,378.0069417,373.6253577,358.4902805,198.4407319,0,0,0,0,9.915568617,17.63905951,23.00392985,28.24666694,35.82759086,42.89112968,0,0,0,0,2.602462111,3.604300186,3.409172496,3.561999774,3.884714368,2.838438929,0,0,0,0,190.1735604,367.7665751,530.6785087,685.0071937,885.3204314,1180.526828,0,0,0,0,2.963155911,4.337557339,5.182546375,6.767621572,8.125897941,6.384067799,0,0,0,0,0.535697692,0.754541774,0.730002111,0.771028429,0.855912361,0.653728543,0,0,0,0,289.4891236,119.2974001,10.26010898,77.99265562,-32.14048571,-5.629461154,211.496468,151.4378858,15.88957013,0.787764564,0.324634871,0.027920048,0.212235436,-0.08746144,-0.015319021,106.3819782,43.83962085,3.770403104,28.66087986,-11.81104288,-2.068724401,0.138091716,0.248406677,2.685232138,6.077778792,367.4817793,0,1,0,360.9920943,18.99979195,7.120315381,477.8734641,21.86031711,7.818155517,561.3050807,23.69187795,8.248968739,1.312537622,1.002890701,430.885055,379.1359522,101.2601115,1.136492207,4.255229911,3.744178697,4.081982338,4.3842948,7.758756593,0.769670368,3.591793317,2.665107996,2.513193645,11.16927597,7.368219772,9.128033712,5.132418878,6.820059892,3.478178888,2.296070445,0.463508421,0.782758515,1.728459382,0.001236473,0.002968086,1.37E-24,1.23E-67,2.11E-132,7.02E-219,0,0,0,0,0,0,0,0,0,0,0,0.301445031,2.664938889,0.766351903,4.02949324,0.778615621,2.307895778,0.231828381,0.395949036,0.280507863,0.100565991,0.280097176,0.005727226,0.020350505,8.71E-06,2.09E-05,9.68E-27,8.64E-70,1.49E-134,4.95E-221,0,0,0,0,0,0,0,0,0,0,0,0.973075264,2.664950589,1.045984319,5.064967267,1.466080596,3.216705783,0.812906713,1.161121947,0.753504573,0.38534404,0.299413837,0.05800035,0.147866982,9.08E-05,2.18E-04,1.01E-25,9.01E-69,1.55E-133,5.15E-220,0,0,0,0,0,0,0,0,0,0,0,3.390360553,2.665089571,2.379036111,10.58292657,6.732166978,8.539525187,4.684096195,6.233579469,3.21884215,2.103867911,0.445869335,0.697571229,1.545656419,0.001101675,0.002644511,1.22E-24,1.09E-67,1.88E-132,6.26E-219,0,0,0,0,0,0,0,0,0,0,0,1.434128364,2.664965396,1.260786867,5.901060897,2.133262875,3.984084721,1.336278816,1.848545002,1.131563421,0.629343538,0.318054763,0.125457431,0.301065563,1.97E-04,4.73E-04,2.19E-25,1.96E-68,3.37E-133,1.12E-219,0,0,0,0,0,0,0,0,0,0,0,4.337608177,2.66518538,3.040821619,13.50973402,9.987384438,11.50115603,6.960753169,9.210898099,4.510573702,3.07333217,0.536096977,1.14088109,2.494125033,0.00180328,0.004328674,2.00E-24,1.79E-67,3.08E-132,1.02E-218,0,0,0,0,0,0,0,0,0,0,0,2.127113163,2.078776257,1.472107771,6.467776756,3.035220515,5.36515387,2.096416571,2.868651684,1.668968434,1.407611731,0.46971766,0.2530341,0.624305311,3.98E-04,9.56E-04,4.43E-25,3.95E-68,6.81E-133,2.26E-219,0,0,0,0,0,0,0,0,0,0,0,4.435929688,1.293041101,0.798713604,0.679556397,0.198085726,0.444281607,0.34315179,0.436459325,6.527684393,10.31164631,21.42062367,0.519334596,1.223892722,3.695538025,0.796740153,0.25765476,0.77801899,0.167737137,0.308670355,0.129259824,0.045334095,4.749932939,4.101840389,9.610407759,0.667028484,0.483264274,3.975568541,0.984334158,0.462616795,0.733158921,0.181527085,0.357063118,0.19777627,0.146343425,5.422519495,6.207822204,13.44069441,0.599738381,0.701182813,4.416117436,1.27974642,0.784271535,0.681485366,0.197487605,0.440331686,0.336038474,0.42082742,6.480135391,10.11861437,21.03106856,0.522228048,1.197197581,4.106143299,1.071852202,0.55805479,0.715848553,0.186862414,0.38083294,0.234825966,0.213031331,5.736050291,7.290783928,15.4829331,0.573772829,0.828690237,4.498486819,1.3350249,0.844301009,0.673646747,0.199919488,0.456869455,0.366127636,0.487656703,6.677812727,10.93083174,22.67917178,0.51047012,1.310653794,4.457556681,1.275557722,0.784290062,0.683946609,0.195715599,0.448652733,0.333911355,0.420723669,6.517404465,10.18229549,21.15907195,0.525919913,1.203287757 +UMLS0247,L,vinylcyclopentane,C=CC1CCCC1,77345,,UML,[1],C7H12,PubChem,,15,0,0.2644,0.06990736,36.6628,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,1985.508851,1424.714262,1178.679606,910.129924,270.591552,24.385536,0,4371.159516,5876.91121,8672.178832,8397.689886,6495.159214,5236.727032,3165.077171,746.0098663,0,188.796996,195.98202,384.613004,533.098968,510.880344,336.152848,330.469632,161.243136,0,33.10313229,45.14389758,71.20205987,77.28928517,61.68356844,48.11078435,34.72004754,10.67070972,0,4469.666941,3897.355064,8328.753616,12306.01719,12635.67418,7816.881401,8240.145211,4438.023649,0,40.80555556,49.75,84.69444444,109.8333333,94.33333333,72.33333333,62,24,0,48.76541633,56.15943233,36.76868243,18.74624029,15.92810278,18.96104008,5.637324,1.016064,0,161.8947969,217.6633782,160.5959043,110.4959196,87.77242182,109.0984798,65.93910774,31.08374443,0,6.992481333,7.258593333,7.122463037,7.014460105,6.903788432,7.003184333,6.884784,6.718464,0,1.226041937,1.671996207,1.318556664,1.016964279,0.833561736,1.002308007,0.723334324,0.444612905,0,165.54322,144.3464838,154.2361781,161.9212788,170.7523538,162.8516959,171.6696919,184.917652,0,1.511316872,1.842592593,1.568415638,1.445175439,1.274774775,1.506944444,1.291666667,1,0,0.036407027,-0.002758385,-0.006035972,-0.025114431,0.019990065,-0.009056288,-0.009903326,0.014674825,0,726.396054,7.32E-13,-121.066009,-511.1675936,349.7462482,-242.132018,-161.4213453,322.8426907,0,1350.764481,-5.26E-13,-225.1274134,-950.5379679,650.3680833,-450.2548269,-300.1698846,600.3397692,0,0.142296,2.04E-15,-0.023716,-0.100134222,0.068512889,-0.047432,-0.031621333,0.063242667,0,6.038545709,1.67E-14,-1.006424285,-4.24934698,2.907447934,-2.01284857,-1.341899046,2.683798093,0,32.80147613,-2.00E-13,-5.466912688,-23.08252024,15.79330332,-10.93382538,-7.289216918,14.57843384,0,2.483539095,-0.882716049,0.505144033,-1.904282884,1.598613016,-0.516003658,-0.921353452,0.878829447,0,0.001348408,-1.02E-04,-1.12E-04,-3.30E-04,2.70E-04,-1.89E-04,-2.06E-04,6.11E-04,0,26.90355756,2.71E-14,-2.24196313,-6.725889389,4.726300652,-5.044417042,-3.362944694,13.45177878,0,50.0283141,-1.95E-14,-4.169026175,-12.50707852,8.788757882,-9.380308893,-6.253539262,25.01415705,0,0.005270222,7.55E-17,-4.39E-04,-0.001317556,9.26E-04,-9.88E-04,-6.59E-04,0.002635111,0,0.223649841,6.19E-16,-0.018637487,-0.05591246,0.039289837,-0.041934345,-0.02795623,0.111824921,0,1.214869486,-7.40E-15,-0.101239124,-0.303717372,0.213423018,-0.227788029,-0.151858686,0.607434743,0,0.091982929,-0.032693187,0.009354519,-0.025056354,0.021602879,-0.010750076,-0.019194864,0.036617894,0,-0.075765194,-0.082895704,-0.245068956,0.200336941,-0.139922497,-0.153009502,0.453461299,0,1.01E-15,-0.083333333,-0.25,0.175675676,-0.1875,-0.125,0.5,0,-3.89E-16,-0.083333333,-0.25,0.175675676,-0.1875,-0.125,0.5,0,1.43E-14,-0.083333333,-0.25,0.175675676,-0.1875,-0.125,0.5,0,2.77E-15,-0.083333333,-0.25,0.175675676,-0.1875,-0.125,0.5,0,-6.09E-15,-0.083333333,-0.25,0.175675676,-0.1875,-0.125,0.5,0,-0.355426678,0.101698426,-0.272402215,0.234857476,-0.11687034,-0.208678542,0.398094449,0,1.520873574,1.204527356,1.254919335,0.594218109,1.211968415,0.985019798,0.003770525,0,1.444444444,1.283950617,1.254385965,0.644144144,1.173611111,0.902777778,0,0,1.444444444,1.283950617,1.254385965,0.644144144,1.173611111,0.902777778,0,0,1.444444444,1.283950617,1.254385965,0.644144144,1.173611111,0.902777778,0,0,1.444444444,1.283950617,1.254385965,0.644144144,1.173611111,0.902777778,0,0,1.444444444,1.283950617,1.254385965,0.644144144,1.173611111,0.902777778,0,0,1.884838442,0.786246893,1.281831858,0.471573479,1.411609362,1.199565037,0,0,42.54613705,21.27306852,32.79597792,42.54613705,4.727348561,21.27306852,-3.55E-15,0.093140969,0.010348997,-2.136277025,38.51270303,4.279189226,3.285889322,42.54613705,21.27306852,32.79597792,42.54613705,4.727348561,21.27306852,-3.55E-15,0.093140969,0.010348997,-2.136277025,38.51270303,4.279189226,3.285889322,42.54613705,21.27306852,32.79597792,42.54613705,4.727348561,21.27306852,-3.55E-15,0.093140969,0.010348997,-2.136277025,38.51270303,4.279189226,3.285889322,42.54613705,21.27306852,32.79597792,42.54613705,4.727348561,21.27306852,-3.55E-15,0.093140969,0.010348997,-2.136277025,38.51270303,4.279189226,3.285889322,42.54613705,21.27306852,32.79597792,42.54613705,4.727348561,21.27306852,-3.55E-15,0.093140969,0.010348997,-2.136277025,38.51270303,4.279189226,3.285889322,42.54613705,21.27306852,32.79597792,42.54613705,4.727348561,21.27306852,-3.55E-15,0.093140969,0.010348997,-2.136277025,38.51270303,4.279189226,3.285889322,49.29554506,24.55672315,38.46880322,49.15391269,5.461545854,24.55672315,-0.182098765,0.068573383,0.007619265,-2.411865745,38.04029622,4.22669958,3.274781422,0,11.9,12.1001487,-0.151263352,0.048902479,5.88775,8.706006619,9,27,27,27,9,0,0,0,0,0,19.677726,3.67035156,3.30735289,2.611741372,2.459820995,2.333552793,1.939940647,1.19006016,1.087918023,1.909060306,1.724171079,1.631849751,1.249629723,1.076025404,0.757863935,0.618639605,0.409822876,3.693698125,3.339057099,2.656976232,2.510897621,2.405454588,2.012147868,1.30885592,1.200733612,1.852785695,1.655976007,1.5595295,1.134540686,0.964271368,0.62194973,0.474034522,0.254727255,3.796434422,3.478864239,2.857330602,2.734801489,2.704236987,2.319165248,1.778468089,1.654314269,1.689896758,1.452583651,1.343933251,0.76031856,0.608628977,0.172849073,0.008059292,0.277043866,3.710897652,3.362446215,2.690448623,2.548571849,2.457539916,2.064919952,1.39352899,1.281677891,1.817184625,1.612285733,1.5131701,1.058262671,0.8907424,0.531260614,0.377211026,0.149949692,3.846599067,3.546955627,2.954366278,2.841861735,2.838982085,2.460286319,1.978039144,1.84990392,1.639911954,1.38842831,1.276253248,0.631337262,0.489570447,0.016182923,0.177663259,0.472006011,3.697578615,3.443376398,2.744909458,2.713878329,2.592723429,2.153470112,1.541619699,1.406653016,1.792684284,1.571418394,1.425091662,0.807995976,0.755921785,0.386454146,0.224821534,0.017706976,0,0,0,0,0,2,5,2,0,0,0,0.144337567,0.102062073,0.058925565,0,0,0.144337567,0.102062073,0.058925565,0.612372436,0,0,0,0.612372436,0,0,0,0.642228525,1.041888478,0.804737854,0.642228525,1.041888478,0.804737854,6.690234444,4.2876937,3.780031565,2.279482726,1.912731898,0.842195333,0.451184464,0.23570226,0.743359383,0.476410411,0.343639233,0.207225702,0.147133223,0.105274417,0.075197411,0.058925565,6.690234444,4.2876937,3.780031565,2.279482726,1.912731898,0.842195333,0.451184464,0.23570226,0.743359383,0.476410411,0.343639233,0.207225702,0.147133223,0.105274417,0.075197411,0.058925565,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.2227,41.413,33.05508271,49.43288838,66.11016543,7.345573936,33.05508271,0.206757651,0.022973072,-1.418587145,37.16847483,4.129830536,3.253914856,73,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,4.663333333,0,7.491203704,0,0,0,2.01212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.331666667,0,1.472222222,0,0,0,0.924166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.331666667,0,1.512083333,0,0,0,1.087962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.16666667,1.574074074,0.2,2.331666667,0.2,0.924166667,6.480475278,0.409166667,0.331666667,1.375,0.409166667,0.331666667,1.375,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.22222,0.22222,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,9.78701,1.08745,9.78701,0,0,4.28768,0.47641,4.28768,0,0,0.12632,0.01404,0.21232,0.02359,0.185185185,9,0,0,0,0,0,0,1,0.918295834,1.396802669,2.653811356,3.291562502,3.06934028,2.671011113,24.79398752,37.71367206,71.65290661,88.87218755,82.87218755,72.11730005,0.193126721,0.293761455,0.558122848,0.692248239,0.645512702,0.561740128,3.836591668,3.358084833,2.101076146,1.463325,1.685547222,2.083876389,0.193126721,0.293761455,0.558122848,0.692248239,0.645512702,0.561740128,6.73287657,12.47495859,17.65405709,18.29679866,15.63013199,15.22868589,35.54887502,27.21134672,21.93972837,20.24973705,24.5939315,25.81286808,7.111111111,3.239669421,2.380165289,4,0,3,2.45,1.2681,0.5,2.626527804,2.309401077,0,5.676240019,5.296119205,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,4.165,11,11,13,8,6,4,0,0,0,71,2.302585093,2.48490665,2.48490665,2.63905733,2.197224577,1.945910149,1.609437912,0,0,0,4.276666119,1,0.4,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.222222222,4,0.444444444,0,3,5,0.666666667,2,0.444444444,0.472222222,0.195,0.16,0,0,0,0,0,0.222222222,0.04040404,0.078703704,0.0325,0.04,0,0,0,0,0,0.413829966,21.27306852,32.79597792,42.54613705,4.727348561,21.27306852,0.093140969,0.010348997,-2.136277025,38.51270303,4.279189226,3.285889322,0,151.8638616,4.169925001,3.713572067,4.442651256,5.241747015,5.993961427,6.796823718,7.557472902,8.359134887,9.124237673,9.924025204,79.15362615,2.944438979,0,4.143134726,2.397895273,5.484796933,4.442651256,6.898714534,6.259581464,8.35678967,8.731336361,126.1408506,4.671883355,17.42409916,1.936011018,0,0,0,93,6,4.999,40,1.322351022,2.339037584,3.150613129,3.811669306,4.940278107,5.798721669,6.945614187,0,0,0,92.70728943,97.30782746,66.89938648,74.65708778,109.9581225,36.25218978,7.057188533,0,0,0,330.9230363,408.1136673,369.9443443,377.7530868,588.780594,409.235456,215.8956963,0,0,0,9.657429115,16.73405923,22.14699247,26.42642609,34.72382141,40.0511762,46.66385887,0,0,0,2.444790845,3.282923086,3.335467438,3.451147277,5.265679318,4.409304136,3.0881097,0,0,0,187.2021646,355.406357,506.7950286,642.6354128,795.2657159,985.2507986,1284.366667,0,0,0,2.513764036,3.781262599,4.605972979,5.034814005,7.687749235,7.722404396,6.945614187,0,0,0,0.50452745,0.688658123,0.713883624,0.742784589,1.125760175,0.970452217,0.711230893,0,0,0,346.5640082,160.8669974,8.837475207,57.23654566,-26.56788074,-3.152150801,289.3274625,187.4348781,11.98962601,0.858255406,0.39838231,0.021885743,0.141744594,-0.065794562,-0.007806207,139.9427384,64.95818263,3.568577383,23.11214884,-10.72812496,-1.272840239,0.064385198,0.134746272,0.400237423,1.165336849,403.8005538,0,1,0,464.5052698,21.55238432,7.744562373,638.8719193,25.2759158,8.612672499,802.5872019,28.32997003,9.293174172,1.615043136,1.615043136,790.637744,759.4826016,157.1101082,1.041021535,5.03237986,4.834078536,4.762210675,4.466160583,8.815691854,0.973886001,5.020209962,5.389914525,3.295831559,20.39309653,10.74939108,11.62121789,10.0219942,17.29506887,4.960071667,4.24596437,7.381171185,3.212167916,5.24900185,1.375891238,1.749204771,0.008954776,0.033814538,4.60E-21,1.22E-61,6.24E-124,6.16E-208,1.1712971325E-313,0,0,0,0,0,0,0,0,0.421311435,5.389573913,0.789967776,7.5972547,1.226368458,2.011295536,0.615946731,1.550964878,0.268295089,1.182148061,1.315075753,0.302430969,0.356434469,0.028838934,0.031591635,6.33E-05,2.38E-04,3.24E-23,8.59E-64,4.40E-126,4.34E-210,8.24954146E-316,0,0,0,0,0,0,0,0,1.360044669,5.389597382,1.149937399,9.624412094,2.23363015,3.081108448,1.93943612,3.571386862,0.947231357,1.650225387,2.223430413,0.651254739,0.909354177,0.150176727,0.177894824,6.58E-04,0.002481796,3.38E-22,8.96E-63,4.58E-125,4.52E-209,8.59665826E-315,0,0,0,0,0,0,0,0,4.738668689,5.389877379,3.088817868,19.40288025,9.835063853,10.71742413,9.235145926,15.90908129,4.574230056,4.002747638,6.89311395,2.947322135,4.791788108,1.239078473,1.571779765,0.007978672,0.030128145,4.10E-21,1.09E-61,5.56E-124,5.49E-208,1.04360465755E-313,0,0,0,0,0,0,0,0,2.004455605,5.389627168,1.442037831,11.1896155,3.203176757,4.08028856,3.025078966,5.312654319,1.496068056,2.018255254,2.944931081,0.96349121,1.421270882,0.279085554,0.338987762,0.001428169,0.005390792,7.34E-22,1.95E-62,9.95E-125,9.81E-209,1.8673090483E-314,0,0,0,0,0,0,0,0,6.062630571,5.390070557,4.123176243,24.29430031,14.51093881,15.32576461,13.17493289,22.90607073,6.500638744,5.209675228,9.320726103,4.29122961,7.120908547,1.944154478,2.488191362,0.013059095,0.049315326,6.71E-21,1.78E-61,9.10E-124,8.98E-208,1.7082267874E-313,0,0,0,0,0,0,0,0,3.339395028,4.932180527,1.90200019,14.73641694,5.493018891,6.199734384,5.275747846,9.332644307,2.618903631,3.058338574,4.680303631,1.698102399,2.779305338,0.628831755,0.784718083,0.003615108,0.013647501,1.86E-21,4.93E-62,2.52E-124,2.48E-208,4.727339015E-314,0,0,0,0,0,0,0,0,6.384276738,1.294949896,1.019212759,0.73395657,0.14887152,0.535364336,0.482310654,0.479220672,8.698439393,16.09408426,33.21868015,0.600934854,1.496895662,5.536773183,0.746188266,0.499224714,0.81636998,0.110021791,0.402486393,0.150757368,0.113282517,6.782186163,7.268084813,16.11280549,0.72455497,0.666526278,5.873228812,0.962486592,0.707544342,0.778606201,0.127595579,0.452949048,0.256912881,0.230643515,7.543259747,10.48947574,22.03241572,0.667909301,0.940505445,6.363280849,1.281207735,1.006509777,0.735554509,0.148099408,0.531841198,0.471454193,0.46751686,8.650998362,15.84693715,32.70369231,0.603331763,1.470812251,6.023264402,1.059631002,0.799606164,0.764131076,0.134428264,0.476423082,0.314813356,0.295366327,7.882501568,12.04596452,25.03190261,0.646196613,1.086602765,6.450013555,1.338017578,1.058933461,0.729065148,0.1512403,0.546471155,0.517205377,0.516620162,8.846964594,16.87723828,34.8630438,0.593597723,1.580296693,6.378826668,1.285163485,1.009787189,0.735415081,0.148166529,0.534449613,0.476025533,0.470145139,8.673777342,15.93683418,32.88868039,0.603122622,1.480620285 +UMLS0248,L,Isobutylcyclopentane,CC(C)CC1CCCC1,77414,,"Sandia, UML",[1],C9H18,PubChem,,5.2,0,2.2846,5.21939716,31.8504,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1649.56345,1109.768356,333.2448,36.578304,0,0,0,3399.790734,4570.930941,6475.043557,6742.478727,4059.196059,1119.0148,0,0,0,146.842108,152.43046,276.627304,343.337872,452.998656,241.864704,0,0,0,25.74688067,35.11192034,51.48567672,60.15154964,45.39880544,16.00606457,0,0,0,3476.407621,3031.276161,6121.833801,7244.569524,11441.48253,6657.035473,0,0,0,35.375,42.3125,63,89,90,36,0,0,0,48.76541633,56.15943233,42.29649872,23.12017408,5.049163636,1.016064,0,0,0,161.8947969,217.6633782,166.0267579,140.4683068,61.50297059,31.08374443,0,0,0,6.992481333,7.258593333,7.093007795,7.152872333,6.863616,6.718464,0,0,0,1.226041937,1.671996207,1.320145557,1.253157284,0.687860689,0.444612905,0,0,0,165.54322,144.3464838,156.9700975,150.9285317,173.3557959,184.917652,0,0,0,1.68452381,2.014880952,1.615384615,1.854166667,1.363636364,1,0,0,0,0.025674808,-0.008814655,0.019788171,-0.035774146,-0.007944426,0.019907652,0,0,0,564.9747087,4.90E-13,282.4873543,-968.528072,-80.71067267,484.264036,0,0,0,1050.594596,-5.68E-14,525.297298,-1801.019308,-150.0849423,900.5096538,0,0,0,0.110674667,1.59E-15,0.055337333,-0.189728,-0.015810667,0.094864,0,0,0,4.696646663,7.33E-15,2.348323331,-8.051394279,-0.670949523,4.025697139,0,0,0,25.51225921,2.26E-14,12.75612961,-43.73530151,-3.644608459,21.86765075,0,0,0,3.18452381,-2.258928571,2.68707483,-2.088435374,-1.972789116,2.040816327,0,0,0,0.00122261,-4.20E-04,5.07E-04,-7.45E-04,-1.20E-04,5.53E-04,0,0,0,26.90355756,2.33E-14,7.243265496,-20.17766817,-1.22288898,13.45177878,0,0,0,50.0283141,-2.71E-15,13.46916149,-37.52123557,-2.274014277,25.01415705,0,0,0,0.005270222,7.57E-17,0.001418906,-0.003952667,-2.40E-04,0.002635111,0,0,0,0.223649841,3.49E-16,0.060213419,-0.167737381,-0.010165902,0.111824921,0,0,0,1.214869486,1.08E-15,0.327080246,-0.911152115,-0.05522134,0.607434743,0,0,0,0.151643991,-0.107568027,0.068899355,-0.04350907,-0.029890744,0.056689342,0,0,0,-0.343319235,0.415004817,-0.609593218,-0.098453388,0.45230317,0,0,0,8.68E-16,0.269230769,-0.75,-0.045454545,0.5,0,0,0,-5.41E-17,0.269230769,-0.75,-0.045454545,0.5,0,0,0,1.44E-14,0.269230769,-0.75,-0.045454545,0.5,0,0,0,1.56E-15,0.269230769,-0.75,-0.045454545,0.5,0,0,0,8.88E-16,0.269230769,-0.75,-0.045454545,0.5,0,0,0,-0.709345794,0.454349389,-0.286915888,-0.1971113,0.373831776,0,0,0,1.777780449,0.510731536,1.843186809,0.973865361,0,0,0,0,1.428571429,0.879120879,1.964285714,0.779220779,0,0,0,0,1.428571429,0.879120879,1.964285714,0.779220779,0,0,0,0,1.428571429,0.879120879,1.964285714,0.779220779,0,0,0,0,1.428571429,0.879120879,1.964285714,0.779220779,0,0,0,0,1.428571429,0.879120879,1.964285714,0.779220779,0,0,0,0,2.224299065,0.342199856,1.553738318,1.141886151,0,0,0,0,23.09054275,11.54527138,16.10682419,23.09054275,3.298648965,11.54529609,3.55E-15,1.11E-16,1.59E-17,-25.7157604,2000015.319,285716.4741,10.15606578,23.09054275,11.54527138,16.10682419,23.09054275,3.298648965,11.54529609,3.55E-15,1.11E-16,1.59E-17,-25.7157604,2000015.319,285716.4741,10.15606578,23.09054275,11.54527138,16.10682419,23.09054275,3.298648965,11.54529609,3.55E-15,1.11E-16,1.59E-17,-25.7157604,2000015.319,285716.4741,10.15606578,23.09054275,11.54527138,16.10682419,23.09054275,3.298648965,11.54529609,3.55E-15,1.11E-16,1.59E-17,-25.7157604,2000015.319,285716.4741,10.15606578,23.09054275,11.54527138,16.10682419,23.09054275,3.298648965,11.54529609,3.55E-15,1.11E-16,1.59E-17,-25.7157604,2000015.319,285716.4741,10.15606578,23.09054275,11.54527138,16.10682419,23.09054275,3.298648965,11.54529609,3.55E-15,1.11E-16,1.59E-17,-25.7157604,2000015.319,285716.4741,10.15606578,32.34597464,16.01584446,23.37185894,32.12148484,4.588783549,16.01584468,-0.314285714,6.66E-16,9.52E-17,-24.46152877,2000013.568,285716.224,10.15606517,0,11.89,12.11009426,-0.155286716,0.066851017,6.185439617,8.517906142,7,21,21,21,7,0,0,0,0,0,15.304898,3.84323467,2.811343844,2.333552793,2.333552793,2.186424417,0.826919852,0.083923071,0.083923071,1.761317652,1.631370952,1.249629723,1.249629723,1.057361847,0.033896879,0.083923071,0.083923071,3.858333379,2.858824545,2.405454588,2.405454588,2.255594213,0.927600459,0.270913902,0.270913902,1.699434879,1.556161807,1.134540686,1.134540686,0.94353844,0.111524236,0.270913902,0.270913902,3.927115266,3.066011697,2.704236987,2.704236987,2.546604864,1.326264019,0.943918427,0.943918427,1.525672888,1.335153762,0.76031856,0.76031856,0.576993532,0.403579617,0.943918427,0.943918427,3.869577972,2.893781183,2.457539916,2.457539916,2.305936366,0.999588442,0.399277246,0.399277246,1.660674591,1.508196398,1.058262671,1.058262671,0.868351891,0.166170653,0.399277246,0.399277246,3.962179982,3.164794217,2.838982085,2.838982085,2.679267088,1.493154729,1.207644823,1.207644823,1.474671104,1.267051166,0.631337262,0.631337262,0.452260987,0.51752171,1.207644823,1.207644823,3.788739335,3.011493707,2.631436576,2.631436576,2.381763414,1.010565642,0.583333333,0.583333333,1.6412727,1.462316012,0.881436576,0.881436576,0.781252379,0.10894566,0.583333333,0.583333333,0,0,0,0,0,4,1,0,2,0.176776695,0.707106781,0.707106781,0,0.176776695,0.176776695,0.707106781,0.707106781,0,0.176776695,1.914213562,0.353553391,0.957106781,0.353553391,1.914213562,0.353553391,0.957106781,0.353553391,3.121320344,1.414213562,0.176776695,3.121320344,1.414213562,0.176776695,5.707106781,2.957106781,3.944543648,2.414213562,0.707106781,0,0,0,0.815300969,0.422443826,0.303426434,0.201184464,0.176776695,0,0,0,5.707106781,2.957106781,3.944543648,2.414213562,0.707106781,0,0,0,0.815300969,0.422443826,0.303426434,0.201184464,0.176776695,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.4425,32.179,15.72337305,23.18747466,31.44674609,4.492392299,15.72337339,5.55E-16,7.93E-17,-24.58915386,2000013.605,285716.2293,10.15606518,32,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,4,0,1,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,9.305555556,0,1.402777778,0,0,0,0,0,0,0,0,0,1.291666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.326388889,0,1.402777778,0,0,0,0,0,0,0,0,0,0.645833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.326388889,0,1.402777778,0,0,0,0,0,0,0,0,0,0.645833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,1.714285714,0.2,2.326388889,0,0.645833333,5.012597222,0.604166667,0.326388889,2.611111111,0.604166667,0.326388889,2.611111111,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.57143,0,0.28571,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,7.70465,1.10066,7.70465,0,0,2.95711,0.42244,2.95711,0,0,0.45689,0.06527,0.54289,0.07756,0.142857143,7,0,0,0,0,0,0,1,0.918295834,1.377890332,1.772338851,1.772338851,1.772338851,1.240103029,19.28421252,28.93569697,37.21911587,37.21911587,37.21911587,26.0421636,0.209068641,0.313704635,0.403508827,0.403508827,0.403508827,0.282334565,3.474021589,3.014427091,2.619978572,2.619978572,2.619978572,3.152214394,0.209068641,0.313704635,0.403508827,0.403508827,0.403508827,0.282334565,6.73287657,12.24801054,12.64554564,12.64554564,12.64554564,6.258715768,27.64912502,21.52784026,22.25049399,22.25049399,22.25049399,17.11861195,5.142857143,0.887573964,0.568047337,0,0,0,2.23,0.9863,2.289428485,2,0,5.656854249,0,0,2,0,0,1,0,0,0,0,0,0,0,0,0,0.003,0.173,0.158,0.119,0.206,2.799,13,12,4,0,0,0,0,0,0,43,2.079441542,2.63905733,2.564949357,1.609437912,0,0,0,0,0,0,3.784189634,1,0.333333333,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,0,2,3,0.5,4,2.888888889,0,0,0,0,0,0,0,0,0.571428571,0.288888889,0,0,0,0,0,0,0,0,0.86031746,11.54527138,16.10682419,23.09054275,3.298648965,11.54529609,1.11E-16,1.59E-17,-25.7157604,2000015.319,285716.4741,10.15606578,0,117.2718924,3.807354922,3.713572067,4.574710979,5.549076085,6.463029457,7.417580402,8.34877454,9.294773428,10.23196362,11.17460953,80.76809011,2.708050201,1.945910149,4.204692619,4.262679877,5.894402834,6.354370041,7.671826798,8.338783971,9.493637846,9.937985593,98.10955045,4.671883355,12.76776695,1.823966708,0,0,0,39,4,3.935,40,1.230755854,2.135365306,3.036742125,3.534403258,4.003565396,0,0,0,0,0,79.83322538,104.3074179,73.09476962,18.40092262,4.067878671,0,0,0,0,0,292.9249409,393.1938821,433.3061725,221.5634009,124.4458036,0,0,0,0,0,8.9678417,15.22860035,21.73065957,24.27876642,26.89780999,0,0,0,0,0,2.193649138,3.05106287,3.842085677,2.464659275,1.780036841,0,0,0,0,0,175.5207132,329.3367467,457.7563306,611.1178403,740.3299128,0,0,0,0,0,2.506119829,3.647226603,5.688608111,4.869694094,4.003565396,0,0,0,0,0,0.453834454,0.636711545,0.817470181,0.545658913,0.409965097,0,0,0,0,0,287.2769188,96.91984439,6.90010533,54.97224275,-18.54622096,-3.043630152,232.3046761,115.4660654,9.943735482,0.839379467,0.283185046,0.020161058,0.160620533,-0.054189237,-0.008893024,98.32028461,33.17073548,2.361555264,18.81420399,-6.347428574,-1.041679868,0.081786503,0.17578667,1.396767988,3.438573806,342.2491616,0,1,0,464.7615217,21.55832836,7.745986249,601.3553539,24.52254787,8.440672709,749.1596871,27.37078163,9.082208474,1.296969379,1.296969379,252.1956469,185.0151514,153.0717747,1.363108075,1.647564663,1.208682343,3.512132744,3.225180717,5.327961006,0.651988361,4.301416968,6.199486959,3.777763919,18.33566898,8.121145055,19.5184162,11.33665983,5.061490668,3.395877028,0.062486641,2.44E-20,2.20E-60,3.83E-122,1.29E-205,8.370599275618E-311,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.360988104,5.981572515,0.201313187,9.970807384,0.612088111,0.803523403,0.220420604,0.31495808,0.023917441,4.40E-04,1.72E-22,1.55E-62,2.70E-124,9.09E-208,5.8954815123E-313,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.165313549,5.996134452,0.726120222,11.48114567,1.785496558,3.14278986,1.160870473,1.089085128,0.249238163,0.004586166,1.79E-21,1.61E-61,2.81E-123,9.47E-207,6.143546279794E-312,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.060186704,6.175562026,3.486215137,17.75384776,7.534319786,17.84883097,10.18611288,4.702018271,3.025665295,0.055674472,2.17E-20,1.96E-60,3.42E-122,1.15E-205,7.4580532541363E-311,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.717457779,6.015014349,1.147318699,12.57647108,2.697703173,5.188315635,2.200952096,1.678321843,0.541378593,0.009961765,3.89E-21,3.50E-61,6.11E-123,2.06E-206,1.3344603461074E-311,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.194584097,6.300087975,4.939670848,20.5690647,10.43823713,26.29495713,16.13028833,6.470678062,4.952567492,0.091130894,3.56E-20,3.21E-60,5.59E-122,1.88E-205,1.22077323614033E-310,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.764936759,4.687917252,1.524280759,14.14357679,4.198799292,9.17283017,4.412638906,2.958562273,1.155541493,0.021262815,8.30E-21,7.48E-61,1.30E-122,4.39E-206,2.8483289201755E-311,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.082843529,1.869509079,0.869072076,0.431997525,0.387750344,0.553775503,0.663668356,0.358117514,4.821424684,7.328774175,15.53427417,0.229621803,1.575561373,1.447959305,1.122367513,0.440788829,0.48087137,0.372741417,0.26762554,0.23923796,0.092094473,3.011115647,2.758113832,6.485574132,0.28041918,0.598957973,1.700112029,1.41911025,0.610889357,0.455780468,0.380447126,0.368961551,0.382457579,0.176913857,3.730111636,4.318146099,9.522117747,0.254341391,0.928332987,2.067125241,1.851012274,0.858469018,0.432760209,0.387516171,0.545450219,0.650606802,0.349430191,4.776606533,7.189873859,15.25121824,0.23041457,1.545487212,1.81250783,1.551379901,0.686710011,0.447466756,0.383000238,0.419360732,0.457065288,0.223567334,4.050597742,5.121903599,11.10345313,0.245700491,1.099993354,2.132053466,1.92741747,0.902267413,0.429698891,0.388456088,0.58024646,0.705396481,0.386005144,4.96173835,7.772085439,16.44156279,0.227232469,1.671648085,2.074741469,1.858973666,0.858055182,0.432980158,0.38795133,0.549471506,0.656212719,0.349085217,4.791770317,7.232234409,15.33342897,0.231397231,1.554769442 +UMLS0249,L,"1,1,2,2-tetramethylcyclopropane",CC1(CC1(C)C)C,77778,,UML,[1],C7H14,PubChem,,10.4,0,1.359,1.846881,26.1356,17.22793,0,0,16,6,10,0,6,0,0,0,0,0,0,0,0,0,875.745366,986.655606,921.130397,778.898404,229.104288,20.32128,0,0,0,2851.938855,3688.467574,4139.872837,3778.523424,2407.180283,621.6748886,0,0,0,112.427736,116.419416,191.895476,197.791888,202.02048,134.36928,0,0,0,21.17952905,27.8688431,34.42888639,32.5292122,24.93453953,8.892258097,0,0,0,2609.942657,2291.991614,4193.438456,4436.479404,4790.300031,3698.35304,0,0,0,32.05555556,36.13888889,48,54.33333333,46,20,0,0,0,54.73408538,61.66597537,34.11594063,27.81780014,7.900147862,1.016064,0,0,0,178.2461784,230.5292234,153.3286236,134.9472652,83.00621667,31.08374443,0,0,0,7.0267335,7.2762135,7.107239852,7.063996,6.966223448,6.718464,0,0,0,1.323720566,1.741802694,1.27514394,1.161757579,0.859811708,0.444612905,0,0,0,163.121416,143.2494759,155.3125354,158.445693,165.1827597,184.917652,0,0,0,2.003472222,2.258680556,1.777777778,1.94047619,1.586206897,1,0,0,0,0.034424578,-0.003401621,-0.006612291,-0.010113846,-0.017603812,0.020519282,0,0,0,453.9975338,3.69E-13,-115.3910398,-128.6326346,-323.4732428,340.4981503,0,0,0,844.2278004,1.85E-13,-214.5745659,-239.1978768,-601.5123078,633.1708503,0,0,0,0.088935,1.38E-15,-0.022604312,-0.02519825,-0.063366188,0.06670125,0,0,0,3.774091068,1.05E-15,-0.959248146,-1.069325803,-2.689039886,2.830568301,0,0,0,20.50092258,5.20E-14,-5.210651156,-5.808594731,-14.60690734,15.37569194,0,0,0,4.493055556,-1.048611111,0.88671875,-1.557291667,-2.48046875,1.953125,0,0,0,0.002151536,-2.13E-04,-2.45E-04,-3.61E-04,-6.07E-04,0.001025964,0,0,0,28.37484586,2.31E-14,-4.273742216,-4.594022663,-11.15424975,17.02490752,0,0,0,52.76423752,1.15E-14,-7.947206146,-8.542781314,-20.74180372,31.65854251,0,0,0,0.005558437,8.60E-17,-8.37E-04,-9.00E-04,-0.002185041,0.003335062,0,0,0,0.235880692,6.59E-17,-0.035527709,-0.038190207,-0.092725513,0.141528415,0,0,0,1.281307661,3.25E-15,-0.19298708,-0.207449812,-0.50368646,0.768784597,0,0,0,0.280815972,-0.065538194,0.032841435,-0.05561756,-0.085533405,0.09765625,0,0,0,-0.098813738,-0.113825499,-0.167884143,-0.282137023,0.476851898,0,0,0,8.14E-16,-0.150617284,-0.161904762,-0.393103448,0.6,0,0,0,2.19E-16,-0.150617284,-0.161904762,-0.393103448,0.6,0,0,0,1.55E-14,-0.150617284,-0.161904762,-0.393103448,0.6,0,0,0,2.79E-16,-0.150617284,-0.161904762,-0.393103448,0.6,0,0,0,2.53E-15,-0.150617284,-0.161904762,-0.393103448,0.6,0,0,0,-0.233384853,0.116950026,-0.198056966,-0.304588818,0.347758887,0,0,0,1.258607507,1.07966621,1.229571022,1.209486899,0.060409177,0,0,0,1.25,1.185185185,1.142857143,1.24137931,0,0,0,0,1.25,1.185185185,1.142857143,1.24137931,0,0,0,0,1.25,1.185185185,1.142857143,1.24137931,0,0,0,0,1.25,1.185185185,1.142857143,1.24137931,0,0,0,0,1.25,1.185185185,1.142857143,1.24137931,0,0,0,0,1.47797527,0.549544908,1.569882976,1.295102063,0,0,0,0,17.48025911,8.740129556,13.58907433,17.48025911,2.913376519,8.740557167,1.78E-15,0.0152078,0.002534633,-2.511568091,18.51548822,3.085914703,1.75116455,17.48025911,8.740129556,13.58907433,17.48025911,2.913376519,8.740557167,1.78E-15,0.0152078,0.002534633,-2.511568091,18.51548822,3.085914703,1.75116455,17.48025911,8.740129556,13.58907433,17.48025911,2.913376519,8.740557167,1.78E-15,0.0152078,0.002534633,-2.511568091,18.51548822,3.085914703,1.75116455,17.48025911,8.740129556,13.58907433,17.48025911,2.913376519,8.740557167,1.78E-15,0.0152078,0.002534633,-2.511568091,18.51548822,3.085914703,1.75116455,17.48025911,8.740129556,13.58907433,17.48025911,2.913376519,8.740557167,1.78E-15,0.0152078,0.002534633,-2.511568091,18.51548822,3.085914703,1.75116455,17.48025911,8.740129556,13.58907433,17.48025911,2.913376519,8.740557167,1.78E-15,0.0152078,0.002534633,-2.511568091,18.51548822,3.085914703,1.75116455,24.45243391,12.00260585,19.44222393,24.15428577,4.025714294,12.00262081,-0.447222222,0.118564202,0.0197607,-1.279380407,20.58909628,3.431516047,1.814856977,0,11.9,12.1000824,-0.145991075,0.054086698,5.702487544,7.49202057,6,16,15,15,5,1,1,0,0,1,10.93207,3.733404529,3.068078893,2.227823272,1.456797487,1.334096639,0.376702921,0.083923071,0.083923071,1.759224149,1.372874417,1.193640145,1.056451988,0.395097691,0.083923071,0.083923071,0.083923071,3.75211214,3.099680863,2.29680112,1.556142907,1.421894781,0.498625911,0.270913902,0.270913902,1.706430084,1.285229005,1.091559064,0.949442114,0.238027945,0.270913902,0.270913902,0.270913902,3.835876696,3.242668026,2.585047345,1.9628467,1.79632903,0.960746853,0.943918427,0.943918427,1.56179717,1.018928274,0.779353883,0.604699985,0.300856795,0.943918427,0.943918427,0.943918427,3.765970253,3.123197615,2.346878639,1.62787375,1.486273193,0.584491656,0.399277246,0.399277246,1.673750678,1.228596505,1.025193387,0.878901005,0.131857305,0.399277246,0.399277246,0.399277246,3.877656294,3.314239764,2.715621929,2.141548494,1.966920643,1.207644823,1.207644823,1.207644823,1.520004,0.933903671,0.681113237,0.485915277,0.498019637,1.145153538,1.207644823,1.207644823,3.733814583,3.220686639,2.581873212,1.6420344,1.496497854,0.656311392,0.545454545,0.545454545,1.620003441,1.278398037,1.012754126,0.645086902,0.047702849,0.545454545,0.545454545,0.545454545,0,0,1,0,1,1,2,1,0,0.288675135,0.166666667,0,0,0,0.288675135,0.144337567,0,0,0,0.5,0,0.166666667,0,0.348461713,0,0.102062073,0,0.804737854,0.333333333,0,0.535074775,0.204124145,0,4.568914101,2.804530453,2.58144686,1.276142375,0.666666667,0,0,0,0.761485683,0.467421742,0.322680858,0.212690396,0.166666667,0,0,0,4.198670613,2.458725106,2.120626365,0.98559856,0.49279928,0,0,0,0.699778435,0.409787518,0.265078296,0.164266427,0.12319982,0,0,0,8.709139019,15.43918427,14.62745098,14.8,9.992772455,121.8839701,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,1.89869,27.268,12.74882884,19.44587626,25.49765768,4.249609614,12.74883489,0.169657342,0.028276224,-1.064384707,100.3505316,16.72508859,2.765201623,30,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,3,2,0,1,0,0,0,0,0,0,0,0,1,1,2,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.1875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.777083333,0.580555556,0,0.363194444,0,0,0,0,0,0,0,0,2.108796296,3.81712963,2.796296296,0,0,0,0.907407407,0,0,1.37037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.37037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.243402778,0.290277778,0,0.363194444,0,0,0,0,0,0,0,0,2.108796296,3.81712963,1.398148148,0,0,0,0.907407407,0,0,1.37037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.81712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.290277778,0.290277778,0,0.363194444,0,0,0,0,0,0,0,0,2.108796296,3.81712963,1.398148148,0,0,0,0.907407407,0,0,1.37037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.363194444,3.81712963,0.069444444,0.907407407,3.665087963,0.425925926,0.81712963,1.851851852,0.425925926,0.81712963,1.851851852,3,0.5,0,0,0.45,0.7,0.43333,0.43333,0.7,0.01667,0.01667,0,0,0.71429,0,0,0.33333,0.33333,0,4,0.66667,3,0.5,1,0.16667,-2,-0.33333,0,0,4.08391,0.68065,5.23292,1.14901,0.1915,2.2801,0.38002,2.80452,0.52442,0.0874,0.10948,0.01825,0.19548,0.03258,0.1875,6,0,0,0,0,0,0,0.666666667,0.954434003,2.25,2.952819531,2.952819531,2.702819531,2.202819531,15.27094405,36,47.2451125,47.2451125,43.2451125,35.2451125,0.238608501,0.5625,0.738204883,0.738204883,0.675704883,0.550704883,3.045565997,1.75,1.047180469,1.047180469,1.297180469,1.797180469,0.233502796,0.55046372,0.722408899,0.722408899,0.661246264,0.538920992,6.794779896,17.3818469,18.09016602,18.09016602,15.09016602,11.83820976,23.34095565,15.25,14.85845859,14.85845859,13.35845859,11.60845859,4.166666667,1.25,0.979591837,3,2,3,2.12,0.8024,0.5,1.333333333,2.828427125,0,1,2.828427125,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.108,0.254,0.368,2.766,8,6,4,0,0,0,0,0,0,30,2.079441542,2.397895273,2.197224577,1.945910149,0,0,0,0,0,0,3.63758616,1.233333333,0.333333333,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,2,0.333333333,0,2,3,0.5,1.5,0.5,0.444444444,0,0,0,0,0,0,0,0.25,0.1,0.111111111,0,0,0,0,0,0,0,0.461111111,9.608834689,14.63215581,19.21766938,3.202944896,9.60899955,0.04957236,0.00826206,-1.802593111,18.40949036,3.068248393,1.747719787,0,97.33944905,3.584962501,3.36729583,4.143134726,4.96284463,5.771441123,6.597145702,7.41397029,8.240385116,9.060098709,9.885985277,71.4423014,2.564949357,1.945910149,3.80666249,3.713572067,5.262690189,5.476463552,6.803505258,7.21303166,8.383204551,8.877242436,82.07825032,5.129890645,10.97733173,1.829555289,0,0,0,28,4,2.476,28,1.223867059,2.14835643,3.003259,3.662760455,4.127172952,0,0,0,0,0,85.9416799,82.3746342,90.27542274,29.54224542,4.193471858,0,0,0,0,0,306.601603,354.7925027,424.5601798,308.6017961,128.2879893,0,0,0,0,0,8.938622866,15.32420608,21.25891546,25.53741409,27.7282629,0,0,0,0,0,2.264472386,2.892741443,3.60688515,3.18582766,1.834994355,0,0,0,0,0,173.2323476,329.7210261,472.6929049,603.2879319,763.1871317,0,0,0,0,0,2.823061292,3.980193638,5.975113836,5.8872687,4.127172952,0,0,0,0,0,0.467291002,0.608361485,0.764299984,0.695408683,0.42262251,0,0,0,0,0,233.7858061,77.66137062,7.726012702,61.98529203,-20.59091104,-4.176420013,171.8005141,98.25228166,11.90243272,0.790428164,0.262572547,0.026121595,0.209571836,-0.069617725,-0.014120447,69.1470846,22.96998887,2.285131261,18.33345789,-6.090196371,-1.235264334,0.160872432,0.299366674,3.640680751,7.155155423,295.7710981,0,1,0,421.1676574,20.52236968,7.495805995,520.9009603,22.82325481,8.046093087,591.1100216,24.3127543,8.392463107,1.687738298,1.627402386,221.9203829,164.8323155,81.86062247,1.346340262,2.710954012,2.013572711,3.32193874,3.413998351,5.504108134,0.612217572,3.944355152,3.948906504,2.798048102,9.243752498,7.046018103,8.996877835,7.238097805,5.45087073,1.131608689,1.480847831,2.09E-11,8.45E-44,6.58E-98,9.89E-174,2.87E-271,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331033141,3.947720637,0.155335632,4.961386416,0.441572412,1.38243857,0.352342341,0.228151475,0.00797003,0.010429732,1.47E-13,5.95E-46,4.63E-100,6.96E-176,2.02E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.068589197,3.94780005,0.55381739,5.473091713,1.121257301,2.339968365,1.305468798,0.887594616,0.08305372,0.108685853,1.53E-12,6.20E-45,4.83E-99,7.26E-175,2.10E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.723150167,3.948776367,2.58639892,8.853378015,6.405232657,8.319620619,6.656511583,4.987289072,1.008242981,1.319408757,1.86E-11,7.53E-44,5.86E-98,8.81E-174,2.55E-271,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.574898307,3.947902859,0.86921425,5.931970442,1.786308377,3.174466888,2.094088055,1.461017099,0.180403736,0.236080195,3.33E-12,1.35E-44,1.05E-98,1.58E-174,4.57E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.763377643,3.949453675,3.638306835,10.83470757,9.687047592,11.74415227,9.573169123,7.330636418,1.650344866,2.159677389,3.05E-11,1.23E-43,9.60E-98,1.44E-173,4.18E-271,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.182924067,2.933442385,1.145293161,7.022051064,3.073759108,3.987395377,3.356408441,2.272233068,0.3366771,0.440582826,6.22E-12,2.51E-44,1.96E-98,2.94E-174,8.53E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.556643449,1.514933724,0.468034248,0.563185527,0.333714405,0.602474809,0.569556658,0.303534716,4.539611421,5.778782941,12.13115905,0.345349897,1.475566183,1.85727,0.853718942,0.152607923,0.648579422,0.298128187,0.320229307,0.185702328,0.032246117,2.863596864,1.99930497,5.104874908,0.472869133,0.538177752,2.117353034,1.103132783,0.271619195,0.606325705,0.315893359,0.414564267,0.308559103,0.102307859,3.492105013,3.210467311,7.33699913,0.409488558,0.82543123,2.537444558,1.497162272,0.459553017,0.564609325,0.333135074,0.593506191,0.556957069,0.292657711,4.494159847,5.653081999,11.89306825,0.346913988,1.443120972,2.240489956,1.2197011,0.32720677,0.591564462,0.322041981,0.463599483,0.375525647,0.148479822,3.787397825,3.864926002,8.54649095,0.387346693,0.987604952,2.617434471,1.571077986,0.49483349,0.5588813,0.335460588,0.631331152,0.6100832,0.339195747,4.683345947,6.184809913,12.90300701,0.341512832,1.580610098,2.541948416,1.505486762,0.458549698,0.564127152,0.334108259,0.59537667,0.566171874,0.291364301,4.505984877,5.682819872,11.94361469,0.347353117,1.452912845 +UMLS0250,L,iso-propenylcyclopropane,CC(=C)C1CC1,78394,,UML,[1],C6H10,PubChem,,19.5,0,1.899,3.606201,42.0986,26.508688,0,0,25,9,16,0,9,0,0,0,0,0,0,0,0,0,1314.634113,1492.090497,2177.180389,1889.677953,1133.304317,333.07344,33.530112,0,0,4308.992027,5647.437978,8601.319704,9629.847146,7051.702733,3542.659425,1025.763566,0,0,175.360068,181.746756,342.75298,476.69562,573.717812,305.990784,221.709312,0,0,32.21390648,42.91680896,67.87150539,82.99635593,68.69224873,36.95518435,14.67222586,0,0,4099.831637,3591.109968,7357.361947,10340.20802,14103.69551,7309.703977,6102.282517,0,0,43.84027778,52.375,85.16666667,122.2083333,117.0833333,67,33,0,0,52.58536452,59.68361988,45.35792477,28.20414855,13.65426888,7.569850909,1.016064,0,0,172.3596811,225.8975191,179.1941605,143.7290619,84.96027389,80.51498694,31.08374443,0,0,7.01440272,7.26987024,7.140687083,7.11486,6.912262795,6.954336,6.718464,0,0,1.288556259,1.716672358,1.413989696,1.238751581,0.827617455,0.839890553,0.444612905,0,0,163.9932655,143.6443987,153.2783739,154.3314629,169.9240423,166.1296358,184.917652,0,0,1.753611111,2.095,1.774305556,1.824004975,1.41064257,1.522727273,1,0,0,0.045091223,-0.008251724,0.008727739,-0.034791147,0.00528561,-0.016329856,0.022813767,0,0,697.3402118,6.75E-13,147.7973838,-735.6939235,164.262361,-442.8110345,517.7751073,0,0,1296.733901,-1.28E-13,274.8355463,-1368.054266,305.4528746,-823.4260274,962.8249218,0,0,0.13660416,2.26E-15,0.028952493,-0.144117389,0.032177869,-0.086743642,0.101428589,0,0,5.797003881,1.49E-14,1.228642767,-6.115839094,1.36551647,-3.681097464,4.304275381,0,0,31.48941709,-1.44E-13,6.67400701,-33.22133503,7.417507136,-19.99577985,23.38089219,0,0,3.94,-1.6325,2.279366667,-3.733366667,1.833644444,-3.005511111,2.288366667,0,0,0.001803649,-3.30E-04,1.82E-04,-5.19E-04,6.37E-05,-3.71E-04,6.91E-04,0,0,27.89360847,2.70E-14,3.079112162,-10.98050632,1.97906459,-10.06388715,15.69015477,0,0,51.86935606,-5.12E-15,5.725740548,-20.41872039,3.680155115,-18.7142279,29.17651278,0,0,0.005464166,9.04E-17,6.03E-04,-0.002151006,3.88E-04,-0.001971446,0.003073594,0,0,0.231880155,5.97E-16,0.025596724,-0.091281181,0.016452006,-0.083661306,0.130432587,0,0,1.259576683,-5.77E-15,0.139041813,-0.495840821,0.089367556,-0.454449542,0.708511884,0,0,0.1576,-0.0653,0.047486806,-0.055721891,0.022092102,-0.068307071,0.069344444,0,0,-0.183000678,0.100811131,-0.287900182,0.03530734,-0.205767918,0.383293153,0,0,9.68E-16,0.110387731,-0.393656716,0.070950469,-0.360795455,0.5625,0,0,-9.86E-17,0.110387731,-0.393656716,0.070950469,-0.360795455,0.5625,0,0,1.65E-14,0.110387731,-0.393656716,0.070950469,-0.360795455,0.5625,0,0,2.58E-15,0.110387731,-0.393656716,0.070950469,-0.360795455,0.5625,0,0,-4.58E-15,0.110387731,-0.393656716,0.070950469,-0.360795455,0.5625,0,0,-0.414340102,0.301312218,-0.353565295,0.140178311,-0.433420499,0.44000282,0,0,1.434656118,0.881067791,1.460430817,0.86525343,1.160857226,0.033325023,0,0,1.333333333,1.041666667,1.492537313,0.753012048,1.231060606,0,0,0,1.333333333,1.041666667,1.492537313,0.753012048,1.231060606,0,0,0,1.333333333,1.041666667,1.492537313,0.753012048,1.231060606,0,0,0,1.333333333,1.041666667,1.492537313,0.753012048,1.231060606,0,0,0,1.333333333,1.041666667,1.492537313,0.753012048,1.231060606,0,0,0,1.780033841,0.609401438,1.54304619,0.691344056,1.48823258,0,0,0,36.35018721,17.89814959,25.51319574,36.35018721,4.03890969,17.89814966,1.42E-14,0.046890492,0.005210055,-2.753946318,83.85482342,9.317202603,3.98617831,36.35018721,17.89814959,25.51319574,36.35018721,4.03890969,17.89814966,1.42E-14,0.046890492,0.005210055,-2.753946318,83.85482342,9.317202603,3.98617831,36.35018721,17.89814959,25.51319574,36.35018721,4.03890969,17.89814966,1.42E-14,0.046890492,0.005210055,-2.753946318,83.85482342,9.317202603,3.98617831,36.35018721,17.89814959,25.51319574,36.35018721,4.03890969,17.89814966,1.42E-14,0.046890492,0.005210055,-2.753946318,83.85482342,9.317202603,3.98617831,36.35018721,17.89814959,25.51319574,36.35018721,4.03890969,17.89814966,1.42E-14,0.046890492,0.005210055,-2.753946318,83.85482342,9.317202603,3.98617831,36.35018721,17.89814959,25.51319574,36.35018721,4.03890969,17.89814966,1.42E-14,0.046890492,0.005210055,-2.753946318,83.85482342,9.317202603,3.98617831,49.01678758,23.5483531,34.75971756,48.89821328,5.433134809,23.5483531,-0.321141975,0.043794469,0.004866052,-2.815422977,138.3129838,15.36810931,4.436567204,0,11.89,12.11013444,-0.148263011,0.075405981,6.196930614,9.556132015,9,25,24,24,8,1,1,0,0,1,17.491312,3.733582397,3.10966276,2.888058698,2.333552793,2.211986631,2.063353035,1.010346302,0.917771627,2.017380428,1.620192124,1.40030127,1.249629723,1.094581522,0.926633618,0.374610118,0.295067969,3.751422807,3.142694636,2.919970026,2.405454588,2.280541477,2.128385728,1.125641094,1.031096929,1.972986382,1.544372287,1.321955807,1.134540686,0.98313127,0.815297237,0.216948124,0.133794463,3.831851373,3.291562029,3.066054368,2.704236987,2.56731838,2.404868785,1.592864548,1.498123917,1.848329807,1.321817301,1.096185679,0.76031856,0.621388442,0.457688171,0.322441293,0.416123648,3.76466643,3.167251484,2.943813478,2.457539916,2.330333277,2.175897703,1.208723541,1.113247878,1.94526118,1.496031182,1.2723473,1.058262671,0.909307125,0.7418051,0.110460084,0.024924719,3.872316662,3.365582045,3.140023427,2.838982085,2.697313254,2.532169268,1.79461049,1.702757251,1.811147283,1.253375843,1.028233683,0.631337262,0.49712464,0.336598153,0.518760321,0.614472257,3.753347334,3.190081983,3.035957827,2.62226806,2.407387417,2.238178854,1.30263677,1.228490501,1.965992884,1.45090158,1.164252036,0.889647739,0.81084174,0.635844681,7.19E-04,0.135198171,0,0,0,2,0,3,2,1,1,0,0,0,0.072168784,0.216506351,0,0,0,0.048112522,0.144337567,1.495781916,0.25,0,0,1.33915195,0.204124145,0,0,1.444814383,2.430412943,2.198259192,1.153199567,1.958700306,1.626996445,6.905777394,4.100953631,4.365737948,2.451524386,2.076524386,1.045385138,0.637136847,0,0.767308599,0.455661515,0.335825996,0.204293699,0.14832317,0.087115428,0.079642106,0,6.64626437,3.777656999,3.935948244,1.982048417,1.668867387,0.727507328,0.424757898,0,0.738473819,0.419739667,0.30276525,0.165170701,0.119204813,0.060625611,0.053094737,0,13.33462243,24.10269483,22.80392157,23.08,15.38843593,190.9687353,0.533384897,0.964107793,0.912156863,0.9232,0.615537437,7.638749413,2.92489,41.049,35.38050655,47.99921715,70.7610131,7.862334788,35.38050655,0.102065305,0.011340589,-2.05392818,36.32784657,4.036427397,3.233326113,61,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,6,1,0,2,0,0,0,0,0,0,0,0,3,0,2,0,2,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.653935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.520208333,0,0,1.489513889,0.290277778,0,0.520208333,0,0,0,0,0,0,0,0,6.934097222,0,2.631875,0,4.653935185,0,0.893518519,0,0,0,0,0,0.469907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.313657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.250763889,0,0,0.225625,0.290277778,0,0.250763889,0,0,0,0,0,0,0,0,2.304722222,0,1.281180556,0,2.313657407,0,0.893518519,0,0,0,0,0,0.469907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.340277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.269444444,0,0,0.290277778,0.290277778,0,0.269444444,0,0,0,0,0,0,0,0,2.324652778,0,1.350694444,0,2.340277778,0,0.893518519,0,0,0,0,0,0.469907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.58333333,1.731481481,0.290277778,2.340277778,0.090277778,0.469907407,6.062068287,0.780092593,0.340277778,3.176064815,0.780092593,0.340277778,3.176064815,4.5,0.5,0,0,0.444,0.7,0.43333,0.43333,0.7,0.01067,0.01067,0,0,0.71429,0,0,0.33333,0.11111,0.11111,5.5,0.61111,4.5,0.5,1,0.11111,-3.5,-0.38889,0,0,9.39443,1.04383,10.70711,1.31267,0.14585,3.60095,0.40011,4.10095,0.5,0.05556,0.31305,0.03478,0.39905,0.04434,0.24,9,0,0,0,0,0,0,0.777777778,0.942683189,2.161541933,3.182683189,3.59326969,3.59326969,3.59326969,23.56707973,54.03854833,79.56707973,89.83174224,89.83174224,89.83174224,0.202995776,0.46546272,0.685353521,0.773768511,0.773768511,0.773768511,3.701173001,2.482314256,1.461173001,1.0505865,1.0505865,1.0505865,0.200552128,0.459859516,0.677103288,0.764453946,0.764453946,0.764453946,6.78267514,17.58500857,20.7048025,21.11860186,21.11860186,21.11860186,35.24630968,21.70460118,18.01012261,17.0890857,17.0890857,17.0890857,7.111111111,2.319526627,2,0,2,0,2.45,1.2251,0.944940787,4.559014114,1.44224957,2.080083823,3.532775529,2.555772417,2.555772417,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.162,0.155,0.259,0.348,3.921,13,12,14,12,8,0,0,0,0,77,2.397895273,2.772588722,2.890371758,3.091042453,3.091042453,2.833213344,0,0,0,0,4.700480366,1.415584416,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,4,0.333333333,3.5,1.111111111,0.8125,0.333333333,0,0,0,0,0,0,0.388888889,0.085470085,0.090277778,0.066666667,0,0,0,0,0,0,0.631303419,18.63289832,26.56578181,37.26579663,4.14064407,18.63289835,0.040935541,0.004548393,-2.876180948,151.3799242,16.81999158,4.517813458,0,149.2274029,4.169925001,3.80666249,4.553876892,5.433722004,6.196444128,7.079184395,7.845807503,8.728911725,9.496646498,10.37975279,81.52100842,2.944438979,0,4.262679877,0,5.765191103,0,7.351799869,0,8.974491448,9.197457746,124.1252005,4.96500802,17.31070842,1.923412046,0,0,0,82,9,4.322,44,1.273519207,2.228216774,3.100409014,3.730697037,4.747957968,5.426859404,0,0,0,0,89.71190196,116.3793885,94.80619561,58.41364014,37.23562282,5.514036473,0,0,0,0,319.702965,440.3712919,466.4303517,343.0205531,392.0438103,168.6871108,0,0,0,0,9.302169193,15.99345168,22.10527651,25.8656256,33.06547672,36.46015954,0,0,0,0,2.359936692,3.393390599,3.967002875,3.261003663,4.065827312,2.412851724,0,0,0,0,180.2038702,335.7652767,475.1738268,628.0408646,785.0661358,1003.522099,0,0,0,0,2.718017459,4.156819456,5.774294517,5.456164172,7.368800224,5.426859404,0,0,0,0,0.486940954,0.706664107,0.839614054,0.705669385,0.888300545,0.555710403,0,0,0,0,308.2486206,146.1731271,9.451006813,76.16863383,-36.11956923,-5.284929151,232.0799867,182.2926963,14.73593596,0.801859482,0.38024601,0.024585283,0.198140518,-0.093959282,-0.013747898,118.4960884,56.19147218,3.63313009,29.28053709,-13.88498564,-2.031617954,0.121117712,0.183824362,3.191131886,5.046837686,384.4172544,0,1,0,547.4607859,23.39787994,8.180584573,702.8779878,26.51184618,8.89119184,969.7921891,31.14148662,9.898276029,1.239563353,1.165377654,498.4168109,402.0787317,223.8825602,1.239600038,2.226242234,1.79593592,4.241413277,4.154060744,6.661461263,0.603602276,4.625870919,5.109140404,5.26153358,19.5394612,10.04533026,16.15717422,15.7845085,12.45174076,6.140148004,5.292588383,3.718351786,1.537396366,1.06E-05,2.90E-31,1.54E-78,1.58E-147,3.12E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0.388350494,5.108873296,0.461701132,6.867204715,4.04310019,1.949967968,2.736268397,2.582037019,0.296045758,0.159069956,0.153125813,0.010828008,7.47E-08,2.04E-33,1.09E-80,1.11E-149,2.20E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,1.253318754,5.108891727,1.296890319,8.927823878,4.934110722,4.384084166,4.57368503,4.083404518,1.097427942,0.697743881,0.59903209,0.112836195,7.79E-07,2.13E-32,1.13E-79,1.16E-148,2.29E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,4.366452955,5.109111284,4.916551111,18.57757265,9.559658844,15.12260722,14.69349055,11.66595391,5.643868145,4.798184701,3.400388257,1.369792484,9.46E-06,2.59E-31,1.37E-78,1.41E-147,2.78E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,1.847092347,5.108915095,1.913144056,10.49857201,5.644984278,6.193357296,6.080272626,5.266440625,1.763803172,1.218714693,0.98881463,0.245095294,1.69E-06,4.63E-32,2.46E-79,2.52E-148,4.98E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,5.586378874,5.10926272,6.596914202,23.3122065,11.97778192,20.17484187,20.15584399,15.56731559,8.134914499,7.327670587,5.008832831,2.242148113,1.55E-05,4.23E-31,2.25E-78,2.30E-147,4.56E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,2.837964654,4.192826728,2.89804311,12.44592118,6.61524905,8.730521033,8.016160378,8.053390583,2.964979894,2.286414786,1.790997108,0.512802517,3.54E-06,9.68E-32,5.14E-79,5.27E-148,1.04E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,3.764312819,1.820850329,1.046977041,0.567586437,0.274549433,0.542156837,0.416981307,0.42232669,6.632140188,12.70178782,26.51017063,0.351379655,1.381464834,2.726163713,1.30884674,0.51368689,0.599328447,0.287741004,0.283561662,0.215063049,0.101006523,4.548697343,5.640862459,12.02246166,0.39899267,0.599631234,3.123391171,1.504784401,0.717835502,0.584247045,0.28147798,0.37266379,0.284413453,0.19777771,5.346011074,8.022299047,16.74215874,0.376370567,0.854854953,3.737034857,1.807399246,1.032974117,0.56816222,0.274788972,0.534295666,0.410815842,0.411043455,6.577408221,12.48157091,26.03601065,0.35224333,1.356154963,3.306694793,1.595185499,0.811999027,0.578712746,0.279177317,0.41789465,0.319712698,0.253358796,5.713879319,9.255113612,19.25211857,0.36806912,0.990966143,3.850265119,1.86323426,1.091097005,0.56583299,0.273819953,0.567303745,0.436714307,0.458885782,6.804596384,13.40792794,28.03999519,0.348749485,1.462903833,3.746317178,1.812934992,1.035735181,0.568055248,0.274895901,0.536872148,0.413472296,0.413286882,6.594987352,12.54974256,26.17926667,0.352082873,1.363631326 +UMLS0251,L,"3,3,5-trimethylcyclohexene",CC1CC=CC(C1)(C)C,79031,,UML,[1],C9H16,PubChem,,13.7,0,0.4362,0.19027044,30.8353,20.321516,0,0,19,7,12,0,7,0,0,0,0,0,0,0,0,0,1022.041615,1155.133903,1426.565288,898.022836,500.530802,124.204752,9.144576,0,0,3337.623245,4341.457709,6098.843241,5121.990416,3242.327065,1498.885714,279.7536999,0,0,133.40518,138.195196,257.222816,329.035216,249.895496,164.835648,60.466176,0,0,24.85765486,32.88483172,49.47685225,46.99724004,31.39754125,16.69109236,4.001516144,0,0,3106.572317,2725.031065,5492.556811,7663.758854,6032.067212,4151.86771,1664.258868,0,0,32.52777778,39.25,63.25,71.75,53,31.5,9,0,0,53.79166395,60.79652121,39.62681356,19.10686885,13.90363339,5.175198,1.016064,0,0,175.6643813,228.4977741,169.4123122,108.9785195,90.0646407,62.45357141,31.08374443,0,0,7.021325263,7.273431368,7.145078222,7.000749277,6.941541556,6.868152,6.718464,0,0,1.308297624,1.730780617,1.374357007,0.999941277,0.872153924,0.695462182,0.444612905,0,0,163.5038062,143.4226876,152.5710225,163.058699,167.5574226,172.9944879,184.917652,0,0,1.711988304,2.065789474,1.756944444,1.526595745,1.472222222,1.3125,1,0,0,0.039203879,-0.003031575,-0.01348971,-0.010833801,0.001584279,-0.001999258,0.008168125,0,0,535.2391977,4.76E-13,-134.8158881,-215.3029855,-58.35314561,-7.042621022,147.8950415,0,0,995.3001436,-8.53E-14,-250.6959008,-400.3650954,-108.510166,-13.09605452,275.0171449,0,0,0.104849684,1.51E-15,-0.026409507,-0.042176377,-0.011430981,-0.001379601,0.028971623,0,0,4.449454733,4.27E-15,-1.12072732,-1.789818257,-0.48509093,-0.058545457,1.229454597,0,0,24.16950873,7.99E-14,-6.087808589,-9.72232118,-2.635021628,-0.318019852,6.678416885,0,0,2.631578947,-0.263157895,-0.734687596,-0.432209911,-0.113342567,-0.354801477,0.582409972,0,0,0.002063362,-1.60E-04,-3.75E-04,-2.31E-04,4.40E-05,-8.33E-05,9.08E-04,0,0,28.17048409,2.51E-14,-3.744885782,-4.580914586,-1.620920711,-0.293442543,16.43278239,0,0,52.38421809,-4.49E-15,-6.963775023,-8.518406284,-3.014171279,-0.545668938,30.55746055,0,0,0.005518404,7.93E-17,-7.34E-04,-8.97E-04,-3.18E-04,-5.75E-05,0.003219069,0,0,0.234181828,2.25E-16,-0.031131314,-0.03808124,-0.013474748,-0.002439394,0.136606066,0,0,1.272079407,4.21E-15,-0.169105794,-0.206857897,-0.073195045,-0.013250827,0.742046321,0,0,0.138504155,-0.013850416,-0.020407989,-0.009195956,-0.003148405,-0.014783395,0.064712219,0,0,-0.077328438,-0.181603691,-0.111713986,0.021328172,-0.040372172,0.439849833,0,0,8.89E-16,-0.132936508,-0.162613982,-0.057539683,-0.010416667,0.583333333,0,0,-8.57E-17,-0.132936508,-0.162613982,-0.057539683,-0.010416667,0.583333333,0,0,1.44E-14,-0.132936508,-0.162613982,-0.057539683,-0.010416667,0.583333333,0,0,9.61E-16,-0.132936508,-0.162613982,-0.057539683,-0.010416667,0.583333333,0,0,3.31E-15,-0.132936508,-0.162613982,-0.057539683,-0.010416667,0.583333333,0,0,-0.1,-0.147345679,-0.066394799,-0.022731481,-0.106736111,0.467222222,0,0,1.277152268,1.184946795,1.062315281,0.937255613,0.813802431,0.097193745,0,0,1.285714286,1.244047619,1.082826748,0.904761905,0.763392857,0,0,0,1.285714286,1.244047619,1.082826748,0.904761905,0.763392857,0,0,0,1.285714286,1.244047619,1.082826748,0.904761905,0.763392857,0,0,0,1.285714286,1.244047619,1.082826748,0.904761905,0.763392857,0,0,0,1.285714286,1.244047619,1.082826748,0.904761905,0.763392857,0,0,0,1.37,1.137361111,0.976276596,0.97375,0.961875,0,0,0,23.89262914,11.94631457,18.16969852,23.89262914,3.413232734,11.9463357,8.88E-15,0.180754119,0.025822017,-1.197432341,42.15015188,6.021450269,2.618866802,23.89262914,11.94631457,18.16969852,23.89262914,3.413232734,11.9463357,8.88E-15,0.180754119,0.025822017,-1.197432341,42.15015188,6.021450269,2.618866802,23.89262914,11.94631457,18.16969852,23.89262914,3.413232734,11.9463357,8.88E-15,0.180754119,0.025822017,-1.197432341,42.15015188,6.021450269,2.618866802,23.89262914,11.94631457,18.16969852,23.89262914,3.413232734,11.9463357,8.88E-15,0.180754119,0.025822017,-1.197432341,42.15015188,6.021450269,2.618866802,23.89262914,11.94631457,18.16969852,23.89262914,3.413232734,11.9463357,8.88E-15,0.180754119,0.025822017,-1.197432341,42.15015188,6.021450269,2.618866802,23.89262914,11.94631457,18.16969852,23.89262914,3.413232734,11.9463357,8.88E-15,0.180754119,0.025822017,-1.197432341,42.15015188,6.021450269,2.618866802,28.83593317,14.32570468,22.40959167,28.73780846,4.105401208,14.32570673,-0.18452381,0.183088899,0.026155557,-1.18844842,39.28813473,5.612590675,2.569645791,0,11.8,12.20005101,-0.286248339,0.113827561,5.435184036,8.246004736,7,19,18,18,6,1,1,0,0,1,13.118484,3.68838248,3.01651999,2.449847718,2.231243018,1.559675948,0.984466276,0.704134359,0.083923071,1.827799021,1.668098668,1.413266734,0.832024649,0.650787079,0.419772331,0.235059814,0.083923071,3.707899145,3.055949614,2.49146882,2.287166608,1.654633882,1.107405721,0.843704249,0.270913902,1.76943738,1.608624949,1.328107285,0.702410969,0.509928092,0.26780271,0.065519342,0.270913902,3.79510366,3.229637403,2.678200084,2.532758677,2.042989294,1.592578575,1.385021163,0.943918427,1.605212107,1.437233516,1.061243377,0.278721561,0.040423404,0.245449901,0.528524196,0.943918427,3.722345894,3.085054164,2.522387115,2.328462241,1.723134248,1.195006819,0.942566679,0.399277246,1.732871903,1.571125049,1.272394106,0.616251679,0.41563925,0.16560528,0.049870826,0.399277246,3.838512575,3.313610713,2.770146099,2.650037644,2.21393633,1.798127537,1.610053111,1.207644823,1.556723277,1.384484352,0.973343313,0.132905922,0.12495116,0.429167665,0.752427791,1.207644823,3.742247024,3.168074339,2.593564123,2.373809007,1.812764312,1.31465553,1.10799958,0.591549296,1.741459179,1.501274734,1.150870866,0.487388412,0.290698176,0.032793809,0.232216331,0.591549296,0,0,0,2,0,1,3,1,0,0,0,0.144337567,0.102062073,0.102062073,0,0,0.096225045,0.068041382,0.068041382,0.204124145,0,0,0,0.166666667,0,0,0,0.49279928,0.594861352,0.204124145,0.380742842,0.41820032,0.136082763,5.112884175,3.431851653,2.558730745,2.052095141,1.418611262,0.49279928,0.204124145,0,0.730412025,0.490264522,0.319841343,0.228010571,0.157623474,0.12319982,0.102062073,0,4.853371151,3.098518319,2.173830565,1.636749831,1.035408308,0.350158939,0.136082763,0,0.693338736,0.442645474,0.271728821,0.181861092,0.115045368,0.087539735,0.068041382,0,10.25096682,18.32702112,17.35294118,17.56,11.79132695,144.9122251,0.53952457,0.964580059,0.913312693,0.924210526,0.620596155,7.626959218,2.28879,31.885,22.87726984,33.16178179,45.75453968,6.536362811,22.87726984,0.106509552,0.01521565,-1.567664427,23.73191568,3.390273668,2.216774557,44,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,1,0,3,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.619212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.594861111,0,0,1.305138889,0.580555556,0,0.594861111,0,0,0,0,0,0,0,0,2.250324074,0,4.04712963,0,4.619212963,0,0.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.28587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.225625,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.250324074,0,1.317962963,0,2.28587963,0,0.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.290277778,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.250324074,0,1.399305556,0,2.333333333,0,0.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.69047619,0.306319444,2.333333333,0.225625,0.916666667,4.605819444,0.416666667,0.333333333,1.739074074,0.416666667,0.333333333,1.739074074,3.5,0.5,0,0,0.44737,0.7,0.43333,0.43333,0.7,0.01404,0.01404,0,0,0.71429,0,0,0.14286,0.14286,0,4.5,0.64286,3.5,0.5,1,0.14286,-2.5,-0.35714,0,0,5.49873,0.78553,6.53706,1.03833,0.14833,2.91583,0.41655,3.43185,0.51602,0.07372,-0.01785,-0.00255,0.06815,0.00974,0.263157895,7,0,0,0,0,0,0,0.714285714,0.949452015,2.183754832,3.366091329,3.681880803,3.681880803,3.681880803,18.03958829,41.49134181,63.95573525,69.95573525,69.95573525,69.95573525,0.223509467,0.514075352,0.792407902,0.866747559,0.866747559,0.866747559,3.298475498,2.064172682,0.881836184,0.566046711,0.566046711,0.566046711,0.219682511,0.505273291,0.778840197,0.851907001,0.851907001,0.851907001,6.790838447,17.08973949,20.59546991,20.91373045,20.91373045,20.91373045,27.3155423,17.78709831,14.13567519,13.37360807,13.37360807,13.37360807,5.142857143,2.34375,1.185185185,2,2,2,2.23,0.9433,0,1.850535862,0.5,0,5.676240019,3.789291416,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.111,0.108,0.338,0.369,3.335,8,9,9,4,2,0,0,0,0,46,2.197224577,2.397895273,2.63905733,2.772588722,2.079441542,1.609437912,0,0,0,0,4.17438727,1.391304348,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,2,0.285714286,0,2,4,1,1,0.444444444,0.222222222,0.125,0,0,0,0,0,0,0.142857143,0.055555556,0.055555556,0.0625,0,0,0,0,0,0,0.316468254,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,0,114.6354337,3.807354922,3.433987204,4.17438727,4.934473933,5.693732139,6.459904454,7.22329568,7.990576882,8.755107122,9.522446728,72.18791141,2.708050201,0,3.850147602,2.397895273,5.176149733,4.442651256,6.577861358,6.259581464,8.017966703,8.436416881,96.09390038,5.057573704,13.58523637,1.940748052,0,0,0,43,4,3.402,30,1.289183317,2.278325914,3.099245891,3.888665705,4.264540543,4.50459913,0,0,0,0,93.25039473,100.320697,63.38229733,52.03588191,21.02898013,4.57696101,0,0,0,0,329.3246736,413.8095826,354.7649931,344.1006287,258.4851994,140.0198081,0,0,0,0,9.424376406,16.33852431,21.75623531,26.97810676,29.25205186,30.26398709,0,0,0,0,2.419832719,3.298561322,3.218496133,3.353089608,2.90304933,2.002802904,0,0,0,0,181.935245,343.3624998,500.7981652,652.6895397,740.7258889,832.9798944,0,0,0,0,2.73723274,4.101091792,4.818082687,5.622117823,5.504742726,4.50459913,0,0,0,0,0.498872458,0.690708758,0.689663971,0.727802702,0.643825869,0.461270951,0,0,0,0,310.4387034,120.223251,9.888661609,127.1783465,-49.25221665,-6.000760067,183.2603569,169.4754677,15.88942168,0.709384389,0.274722502,0.02259661,0.290615611,-0.112546384,-0.013712354,135.8532695,52.61174443,4.32744692,55.6554128,-21.55360975,-2.626034918,0.147631578,0.226330669,2.678048568,2.377343302,437.6170499,0,1,0,417.8976536,20.44254518,7.47635608,534.5667112,23.12069876,8.115849226,673.0294323,25.9428108,8.763508635,1.172096875,1.103305826,298.4022352,233.9799759,126.1400031,1.275332362,2.365643157,1.854922864,3.674889244,3.430647518,5.943161307,0.732373051,3.510139109,4.055083964,4.466857827,9.507153217,7.255491242,7.626915607,9.535300963,3.920921361,4.647150178,1.211139122,0.724277729,3.42E-14,3.11E-49,5.47E-106,1.85E-184,1.21E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.294596135,3.620109403,1.561472494,2.19560819,0.925814674,0.740793018,1.406082023,0.035313312,0.19067944,0.008530152,0.005101147,2.41E-16,2.19E-51,3.85E-108,1.31E-186,8.53E-287,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.950957009,3.654856135,2.117367077,3.150437764,1.870432406,1.94411513,2.375484005,0.307550947,0.746876524,0.088890759,0.053157887,2.51E-15,2.29E-50,4.01E-107,1.36E-185,8.89E-286,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.313285872,4.009337271,4.275847479,8.869356126,6.74509288,7.133791334,8.79355635,3.498770832,4.249284519,1.079103153,0.645318417,3.05E-14,2.77E-49,4.87E-106,1.65E-184,1.08E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.401528172,3.694754523,2.510003817,3.965526655,2.622034364,2.830219842,3.245807002,0.649098891,1.233639046,0.193082607,0.115466035,5.45E-15,4.96E-50,8.72E-107,2.96E-185,1.93E-285,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.23899804,4.246170277,5.189008038,12.08457472,9.284810472,9.533984727,12.55878152,5.693186759,6.262245377,1.766332584,1.056290999,4.99E-14,4.54E-49,7.98E-106,2.70E-184,1.77E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.098769643,3.556443319,2.996591212,5.162944027,4.118313273,4.394679725,5.075270737,1.389824597,2.167224255,0.423814602,0.253446918,1.20E-14,1.09E-49,1.91E-106,6.49E-185,4.24E-285,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.944207982,1.58924609,0.722951069,0.560118161,0.302344672,0.568980327,0.516396877,0.378615894,5.256405141,7.956536491,16.59568103,0.340177242,1.463993098,2.127775781,0.991813029,0.327237391,0.617314497,0.287746748,0.297366869,0.194246584,0.075369606,3.446826201,3.131201845,7.268615352,0.425971745,0.566983059,2.435348807,1.218771356,0.477334062,0.589465276,0.294998151,0.389137952,0.298204846,0.162482079,4.131454226,4.71236939,10.26061477,0.384197915,0.849824878,2.922240992,1.573358683,0.712405184,0.561105658,0.30210392,0.560491062,0.505817355,0.367445027,5.208004859,7.800421752,16.2838756,0.341658487,1.433753444,2.579317495,1.324151105,0.547129635,0.579543998,0.297522049,0.43646421,0.354177861,0.214561717,4.450598235,5.551109461,11.8703776,0.369315997,1.005203788,3.013603321,1.639381169,0.756236766,0.557123323,0.303071568,0.596230257,0.550494632,0.414990416,5.409221256,8.45920248,17.60456954,0.335684985,1.561715305,2.924145951,1.575547848,0.71362643,0.560898971,0.30221582,0.561177922,0.50689217,0.368311289,5.213320229,7.818232283,16.31932357,0.341348456,1.436381381 +UMLS0252,L,3-ethylcyclopentene,CCC1CCC=C1,79095,,"Sandia, UML",[1],C7H12,PubChem,,19.4,0,2.1578,4.65610084,41.9878,26.508688,0,0,25,9,16,0,9,0,0,0,0,0,0,0,0,0,1314.634113,1492.090497,2177.180389,1900.768977,1136.352509,321.982416,30.48192,0,0,4308.992027,5647.437978,8601.319704,9713.500018,7144.953966,3459.006553,932.5123329,0,0,175.360068,181.746756,342.75298,477.094788,593.873204,305.591616,201.55392,0,0,32.21390648,42.91680896,67.87150539,83.66528733,70.02608745,36.28625294,13.33838715,0,0,4099.831637,3591.109968,7357.361947,10308.41291,14658.44847,7341.499081,5547.529561,0,0,43.84027778,52.41666667,84.58333333,121.6666667,120.6666667,67.5,30,0,0,52.58536452,59.68361988,45.35792477,28.36968622,13.21340127,7.317782182,1.016064,0,0,172.3596811,225.8975191,179.1941605,144.9776122,83.08086007,78.61378531,31.08374443,0,0,7.01440272,7.26987024,7.140687083,7.120817731,6.905502372,6.945264,6.718464,0,0,1.288556259,1.716672358,1.413989696,1.248735632,0.814256831,0.824687567,0.444612905,0,0,163.9932655,143.6443987,153.2783739,153.8569091,170.4470752,166.8522518,184.917652,0,0,1.753611111,2.096666667,1.762152778,1.815920398,1.403100775,1.534090909,1,0,0,0.045708597,-0.006822799,0.003243525,-0.033142027,0.010602458,-0.01917059,0.022435134,0,0,697.3402118,6.75E-13,147.7973838,-779.2776867,211.3328253,-399.2272713,470.704643,0,0,1296.733901,-1.28E-13,274.8355463,-1449.100135,392.9824129,-742.3801586,875.2953835,0,0,0.13660416,2.25E-15,0.028952493,-0.152655149,0.04139865,-0.078205882,0.092207808,0,0,5.797003881,1.49E-14,1.228642767,-6.478151837,1.756814232,-3.318784722,3.912977619,0,0,31.48941709,-1.44E-13,6.67400701,-35.18942359,9.543042789,-18.02769128,21.25535653,0,0,3.94,-1.590833333,1.801311111,-3.643366667,2.519733333,-3.137177778,2.080333333,0,0,0.001828344,-2.73E-04,6.76E-05,-4.95E-04,1.23E-04,-4.36E-04,7.48E-04,0,0,27.89360847,2.70E-14,3.079112162,-11.63101025,2.457358434,-9.073347075,15.69015477,0,0,51.86935606,-5.12E-15,5.725740548,-21.62836022,4.569562941,-16.87227633,29.17651278,0,0,0.005464166,9.01E-17,6.03E-04,-0.002278435,4.81E-04,-0.001777406,0.003073594,0,0,0.231880155,5.97E-16,0.025596724,-0.096688833,0.020428072,-0.075426925,0.130432587,0,0,1.259576683,-5.77E-15,0.139041813,-0.525215278,0.110965614,-0.409720256,0.708511884,0,0,0.1576,-0.063633333,0.037527315,-0.054378607,0.029299225,-0.071299495,0.069344444,0,0,-0.149267292,0.036958824,-0.270549279,0.067429542,-0.238300476,0.409024692,0,0,9.68E-16,0.110387731,-0.416977612,0.088097545,-0.325284091,0.5625,0,0,-9.86E-17,0.110387731,-0.416977612,0.088097545,-0.325284091,0.5625,0,0,1.65E-14,0.110387731,-0.416977612,0.088097545,-0.325284091,0.5625,0,0,2.58E-15,0.110387731,-0.416977612,0.088097545,-0.325284091,0.5625,0,0,-4.58E-15,0.110387731,-0.416977612,0.088097545,-0.325284091,0.5625,0,0,-0.403764805,0.23811748,-0.345041922,0.185908787,-0.452407963,0.44000282,0,0,1.399620093,0.943635608,1.39691872,0.781373718,1.296481521,0.062603584,0,0,1.333333333,1.041666667,1.523631841,0.726744186,1.183712121,0,0,0,1.333333333,1.041666667,1.523631841,0.726744186,1.183712121,0,0,0,1.333333333,1.041666667,1.523631841,0.726744186,1.183712121,0,0,0,1.333333333,1.041666667,1.523631841,0.726744186,1.183712121,0,0,0,1.333333333,1.041666667,1.523631841,0.726744186,1.183712121,0,0,0,1.769881557,0.669768754,1.49001187,0.633534018,1.57475773,0,0,0,36.79681867,18.11270238,26.14464575,36.79681867,4.088535407,18.11270244,-3.55E-15,0.008686927,9.65E-04,-4.271342398,49.21472324,5.468302582,3.506573548,36.79681867,18.11270238,26.14464575,36.79681867,4.088535407,18.11270244,-3.55E-15,0.008686927,9.65E-04,-4.271342398,49.21472324,5.468302582,3.506573548,36.79681867,18.11270238,26.14464575,36.79681867,4.088535407,18.11270244,-3.55E-15,0.008686927,9.65E-04,-4.271342398,49.21472324,5.468302582,3.506573548,36.79681867,18.11270238,26.14464575,36.79681867,4.088535407,18.11270244,-3.55E-15,0.008686927,9.65E-04,-4.271342398,49.21472324,5.468302582,3.506573548,36.79681867,18.11270238,26.14464575,36.79681867,4.088535407,18.11270244,-3.55E-15,0.008686927,9.65E-04,-4.271342398,49.21472324,5.468302582,3.506573548,36.79681867,18.11270238,26.14464575,36.79681867,4.088535407,18.11270244,-3.55E-15,0.008686927,9.65E-04,-4.271342398,49.21472324,5.468302582,3.506573548,50.92286693,24.12591432,35.90293001,50.8158196,5.646202178,24.12591432,-0.321141975,0.050181501,0.005575722,-2.692897952,53.32305149,5.924783499,3.578731851,0,11.8,12.20007214,-0.286120364,0.113978359,6.239117349,9.467505173,9,25,24,24,8,1,1,0,0,1,17.491312,3.730791365,3.134167085,2.861736208,2.333552793,2.206837882,2.065542529,1.141118225,0.734852168,2.018191952,1.615739888,1.403162414,1.249629723,1.095177019,0.926500828,0.424450339,0.240936834,3.749033441,3.163806698,2.897170614,2.405454588,2.275538238,2.130354404,1.24675585,0.866119967,1.973545242,1.541750788,1.323340744,1.134540686,0.982570579,0.815124336,0.272642291,0.072595156,3.830929374,3.300438402,3.056015719,2.704236987,2.563480057,2.405752813,1.680004843,1.392502242,1.847645534,1.328768028,1.088142906,0.76031856,0.61787149,0.458368968,0.24045732,0.513693675,3.762556386,3.186007452,2.923468261,2.457539916,2.325467669,2.177691614,1.323142085,0.960622206,1.945617891,1.494899938,1.272384423,1.058262671,0.908036139,0.74170038,0.170531509,0.041794944,3.871944388,3.370045007,3.134537096,2.838982085,2.694302192,2.532584193,1.869960559,1.615103742,1.80989791,1.264939007,1.015396963,0.631337262,0.49291749,0.337754903,0.424351724,0.731936664,3.745918162,3.239479108,2.992431756,2.62226806,2.391809046,2.247440123,1.40707218,1.106071186,1.96997161,1.433765456,1.176879293,0.889647739,0.811729514,0.636215782,0.054680105,0.208808998,0,0,0,2,0,3,2,1,1,0,0,0,0.072168784,0.216506351,0,0,0,0.048112522,0.144337567,1.495781916,0.25,0,0,1.442809042,0.25,0,0,1.444814383,2.430412943,2.198259192,1.239532453,2.000478695,1.611704494,6.905777394,4.100953631,4.365737948,2.451524386,2.076524386,1.045385138,0.637136847,0,0.767308599,0.455661515,0.335825996,0.204293699,0.14832317,0.087115428,0.079642106,0,6.64626437,3.767620298,3.977898087,2.009613738,1.64238095,0.712215377,0.424757898,0,0.738473819,0.418624478,0.305992161,0.167467811,0.117312925,0.059351281,0.053094737,0,13.33462243,24.10269483,22.80392157,23.08,15.38843593,190.9687353,0.533384897,0.964107793,0.912156863,0.9232,0.615537437,7.638749413,2.92489,41.049,35.38050655,47.99921715,70.7610131,7.862334788,35.38050655,0.102065305,0.011340589,-2.05392818,36.32784657,4.036427397,3.233326113,61,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,6,2,0,2,0,0,0,0,0,0,0,0,3,0,2,0,2,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.638310185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.537986111,0,0,1.518611111,0.580555556,0,0.537986111,0,0,0,0,0,0,0,0,6.969652778,0,2.611944444,0,4.638310185,0,0.799768519,0,0,0,0,0,0.563657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.313657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.268541667,0,0,0.225625,0.290277778,0,0.268541667,0,0,0,0,0,0,0,0,2.289097222,0,1.26125,0,2.313657407,0,0.799768519,0,0,0,0,0,0.563657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.324652778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.269444444,0,0,0.290277778,0.290277778,0,0.269444444,0,0,0,0,0,0,0,0,2.340277778,0,1.350694444,0,2.324652778,0,0.799768519,0,0,0,0,0,0.563657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.58333333,1.731481481,0.290277778,2.340277778,0.043402778,0.563657407,6.046571759,0.686342593,0.340277778,3.215925926,0.686342593,0.340277778,3.215925926,4.5,0.5,0,0,0.444,0.7,0.43333,0.43333,0.7,0.01067,0.01067,0,0,0.71429,0,0,0.33333,0.11111,0.11111,5.5,0.61111,4.5,0.5,1,0.11111,-3.5,-0.38889,0,0,9.43553,1.04839,10.70711,1.27158,0.14129,3.58493,0.39833,4.10095,0.51602,0.05734,0.31305,0.03478,0.39905,0.04434,0.24,9,0,0,0,0,0,0,0.777777778,0.942683189,2.161541933,3.182683189,3.59326969,3.59326969,3.59326969,23.56707973,54.03854833,79.56707973,89.83174224,89.83174224,89.83174224,0.202995776,0.46546272,0.685353521,0.773768511,0.773768511,0.773768511,3.701173001,2.482314256,1.461173001,1.0505865,1.0505865,1.0505865,0.200552128,0.459859516,0.677103288,0.764453946,0.764453946,0.764453946,6.78267514,17.58500857,20.7048025,21.11860186,21.11860186,21.11860186,35.24630968,21.70460118,18.01012261,17.0890857,17.0890857,17.0890857,7.111111111,2.319526627,2,0,2,0,2.45,1.2251,0.944940787,4.559014114,1.44224957,2.080083823,3.532775529,2.555772417,2.555772417,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.162,0.155,0.259,0.348,3.921,13,12,14,12,8,0,0,0,0,77,2.397895273,2.772588722,2.833213344,3.091042453,3.135494216,2.833213344,0,0,0,0,4.700480366,1.415584416,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,4,0.333333333,3.5,1.111111111,0.8125,0.333333333,0,0,0,0,0,0,0.388888889,0.085470085,0.090277778,0.066666667,0,0,0,0,0,0,0.631303419,18.63289832,26.56578181,37.26579663,4.14064407,18.63289835,0.040935541,0.004548393,-2.876180948,151.3799242,16.81999158,4.517813458,0,149.2274029,4.169925001,3.80666249,4.553876892,5.433722004,6.196444128,7.079184395,7.845807503,8.728911725,9.496646498,10.37975279,81.52100842,2.944438979,0,4.262679877,0,5.765191103,0,7.351799869,0,8.974491448,9.197457746,124.1252005,4.96500802,17.31070842,1.923412046,0,0,0,82,9,4.516,44,1.273519207,2.228991561,3.088085914,3.67329423,4.247137677,4.112932112,0,0,0,0,89.71190196,115.3174392,91.67336158,48.44052459,28.67616163,4.179002253,0,0,0,0,319.702965,437.9570638,460.9242908,309.0954275,315.7556763,127.8453306,0,0,0,0,9.302169193,15.99553822,22.0261519,25.39170888,29.4109912,27.63258633,0,0,0,0,2.359936692,3.380672103,3.94180083,3.027665272,3.357601676,1.828662694,0,0,0,0,180.2038702,336.0973432,472.4060701,624.0002239,715.5346045,760.553749,0,0,0,0,2.726735587,4.109155144,5.697888857,5.219624062,6.311799284,4.112932112,0,0,0,0,0.486940954,0.704235713,0.834887143,0.658414366,0.737137404,0.421164248,0,0,0,0,304.753337,145.5182787,9.651950028,63.65207055,-30.39356298,-3.976974113,241.1012664,175.9118416,13.62892414,0.827222757,0.394994959,0.026199263,0.172777243,-0.082500317,-0.010795102,112.2727773,53.60972075,3.555830583,23.44976699,-11.19715295,-1.465138769,0.119718145,0.18256316,2.982110311,1.860202324,368.4054075,0,1,0,547.4607859,23.39787994,8.180584573,702.8779878,26.51184618,8.89119184,1025.428384,32.02231072,10.08405281,1.499819299,1.499819299,406.9357687,330.4995948,223.8172413,1.231274637,1.818160953,1.476649399,3.968456639,4.090940536,6.281368163,0.535433749,4.626301241,5.330819168,6.003186785,20.07714993,13.09072883,20.00883863,13.08443129,13.20422625,3.883982691,3.552467059,1.99255766,0.008396101,3.73E-23,3.20E-65,5.28E-129,1.68E-214,1.033E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0.388386608,5.127475763,0.406798677,7.78431956,4.340299554,3.409618901,0.74938913,1.707090504,0.186215316,0.061557494,0.01403375,5.91E-05,2.63E-25,2.25E-67,3.72E-131,1.19E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,0,1.253435334,5.168943742,1.133163792,9.751769757,5.765316812,5.951352078,2.185706098,3.40163188,0.693204696,0.354602059,0.146242467,6.16E-04,2.74E-24,2.35E-66,3.88E-130,1.24E-215,7.4E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,4.366859144,5.318356924,5.51342103,19.13292836,12.42727731,18.69317504,11.94668003,12.26962863,3.569943255,3.190342205,1.775333004,0.007480775,3.32E-23,2.85E-65,4.70E-129,1.50E-214,9.2E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,1.847264165,5.197421714,1.755302857,11.26322791,6.850774025,7.947521964,3.492820752,4.758553621,1.114815082,0.680333475,0.317658172,0.001338526,5.95E-24,5.09E-66,8.42E-130,2.68E-215,1.63E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,5.58689855,5.376976813,7.983656797,23.79079671,15.69224909,25.22017581,17.73143569,16.92662128,5.146266129,5.061765201,2.905958074,0.012244924,5.44E-23,4.66E-65,7.70E-129,2.45E-214,1.507E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,2.838251723,4.232499148,2.760477346,13.18459937,8.304427239,11.25088701,5.615030851,7.570874006,1.984744866,1.343455237,0.664622752,0.002800541,1.24E-23,1.07E-65,1.76E-129,5.61E-215,3.46E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,2.74078558,1.830858096,1.107494665,0.482605884,0.322383078,0.464122404,0.463405693,0.430914068,5.679138342,10.08106045,21.31759536,0.223908826,1.358442164,2.089933273,1.221067767,0.596615476,0.534835817,0.312484033,0.265303109,0.200276669,0.125932018,3.907616515,4.527344614,9.957494085,0.302253726,0.591511795,2.334393723,1.458399596,0.792767723,0.509074833,0.318041693,0.332122449,0.290399213,0.221787277,4.585561043,6.411282989,13.69580499,0.26361225,0.844308939,2.723201817,1.815262776,1.094135935,0.483471498,0.322277919,0.457842936,0.455478205,0.420661089,5.632600528,9.90902409,20.95029621,0.225207247,1.333982229,2.449146059,1.566231934,0.882976189,0.499993665,0.319746567,0.366666363,0.336764038,0.274785925,4.898354182,7.381413926,15.66680364,0.249990497,0.978216326,2.796350994,1.879855073,1.149569325,0.479996362,0.322678948,0.484312948,0.48865744,0.464001149,5.825775393,10.63235766,22.5011139,0.219994543,1.436971538,2.732355517,1.819003638,1.094212308,0.483982097,0.322200091,0.460552125,0.457753254,0.420397898,5.645571464,9.950317834,21.03430461,0.225973146,1.338703277 +UMLS0253,L,"3,5,5-trimethylcyclohexene",CC1CC(CC=C1)(C)C,79132,,UML,[1],C9H16,PubChem,,14.6,0,1.3917,1.93682889,33.5454,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1238.953135,1180.454694,656.906882,178.815168,18.289152,0,0,3399.790734,4147.41404,5371.798596,5782.521753,4702.819334,2402.602963,559.5073998,0,0,146.842108,144.889944,254.804092,303.805464,335.706248,307.120896,120.932352,0,0,25.74688067,32.32302034,44.45683953,49.90736261,45.42900437,28.03475758,8.003032287,0,0,3476.407621,2904.481805,5677.860524,6807.841654,7837.74268,7939.753089,3328.517736,0,0,41.80555556,46.38888889,64.33333333,84.5,87,57,18,0,0,48.76541633,51.7541979,34.41536486,27.45243474,13.68556004,3.9736704,1.016064,0,0,161.8947969,207.370702,149.2166277,134.4772501,97.97540278,53.39117695,31.08374443,0,0,6.992481333,7.2444972,7.077891444,7.065243349,6.993880167,6.8249088,6.718464,0,0,1.226041937,1.616151017,1.234912209,1.16063634,0.946437591,0.622994613,0.444612905,0,0,165.54322,145.2240902,157.7183479,158.3218989,163.2863058,176.4389575,184.917652,0,0,1.990740741,2.319444444,1.787037037,1.965116279,1.8125,1.266666667,1,0,0,0.041679523,-0.009199836,0.003555827,-0.010129686,-0.031613549,0.016686064,0.009861419,0,0,564.9747087,-53.80711511,40.35533633,-188.3249029,-443.9086997,121.066009,242.132018,0,0,1050.594596,-100.0566282,75.04247115,-350.1981987,-825.4671826,225.1274134,450.2548269,0,0,0.110674667,-0.010540444,0.007905333,-0.036891556,-0.086958667,0.023716,0.047432,0,0,4.696646663,-0.447299682,0.335474762,-1.565548888,-3.690222378,1.006424285,2.01284857,0,0,25.51225921,-2.429738973,1.822304229,-8.504086404,-20.04534652,5.466912688,10.93382538,0,0,5.793650794,-2.250566893,1.008503401,0.87755102,-4.853741497,0.596938776,1.724489796,0,0,0.001984739,-4.60E-04,9.88E-05,-2.36E-04,-6.59E-04,3.71E-04,5.48E-04,0,0,26.90355756,-2.690355756,1.120981565,-4.379648904,-9.24809791,2.690355756,13.45177878,0,0,50.0283141,-5.00283141,2.084513087,-8.144144155,-17.19723297,5.00283141,25.01415705,0,0,0.005270222,-5.27E-04,2.20E-04,-8.58E-04,-0.001811639,5.27E-04,0.002635111,0,0,0.223649841,-0.022364984,0.009318743,-0.036408114,-0.076879633,0.022364984,0.111824921,0,0,1.214869486,-0.121486949,0.050619562,-0.197769451,-0.417611386,0.121486949,0.607434743,0,0,0.275888133,-0.112528345,0.028013983,0.020408163,-0.101119615,0.013265306,0.095804989,0,0,-0.231764353,0.049766225,-0.118692725,-0.331839876,0.186826265,0.276034568,0,0,-0.1,0.041666667,-0.162790698,-0.34375,0.1,0.5,0,0,-0.1,0.041666667,-0.162790698,-0.34375,0.1,0.5,0,0,-0.1,0.041666667,-0.162790698,-0.34375,0.1,0.5,0,0,-0.1,0.041666667,-0.162790698,-0.34375,0.1,0.5,0,0,-0.1,0.041666667,-0.162790698,-0.34375,0.1,0.5,0,0,-0.407876712,0.101541096,0.073972603,-0.366523973,0.048082192,0.347260274,0,0,1.543066173,0.904401735,1.259012003,1.420022589,0.539585053,1.59E-05,0,0,1.5,1.071428571,1.245847176,1.294642857,0.571428571,0,0,0,1.5,1.071428571,1.245847176,1.294642857,0.571428571,0,0,0,1.5,1.071428571,1.245847176,1.294642857,0.571428571,0,0,0,1.5,1.071428571,1.245847176,1.294642857,0.571428571,0,0,0,1.5,1.071428571,1.245847176,1.294642857,0.571428571,0,0,0,1.783561644,0.624619482,1.089359669,1.755993151,0.460273973,0,0,0,25.60245005,12.80122502,19.00972375,25.60245005,3.657492864,12.80123284,0,0.037904989,0.005414998,-2.290870769,32.90747777,4.701068253,2.445589944,25.60245005,12.80122502,19.00972375,25.60245005,3.657492864,12.80123284,0,0.037904989,0.005414998,-2.290870769,32.90747777,4.701068253,2.445589944,25.60245005,12.80122502,19.00972375,25.60245005,3.657492864,12.80123284,0,0.037904989,0.005414998,-2.290870769,32.90747777,4.701068253,2.445589944,25.60245005,12.80122502,19.00972375,25.60245005,3.657492864,12.80123284,0,0.037904989,0.005414998,-2.290870769,32.90747777,4.701068253,2.445589944,25.60245005,12.80122502,19.00972375,25.60245005,3.657492864,12.80123284,0,0.037904989,0.005414998,-2.290870769,32.90747777,4.701068253,2.445589944,25.60245005,12.80122502,19.00972375,25.60245005,3.657492864,12.80123284,0,0.037904989,0.005414998,-2.290870769,32.90747777,4.701068253,2.445589944,36.87830812,18.22665406,27.80477885,36.57473669,5.224962384,18.22665409,-0.425,0.002665235,3.81E-04,-4.149224196,26.15705907,3.736722724,2.28488337,0,11.89,12.11009426,-0.153635256,0.068925155,5.531742889,8.314258989,6,20,19,19,5,1,1,0,0,1,15.304898,3.5799412,3.009266414,2.60071228,2.333552793,1.684176796,1.284852097,0.364199518,0.083923071,1.908511511,1.611874174,1.284185346,1.249629723,0.802079185,0.496882737,0.083923071,0.083923071,3.600072227,3.051423842,2.649777396,2.405454588,1.774390328,1.38492678,0.488581435,0.270913902,1.856472375,1.527892799,1.191437023,1.134540686,0.666409121,0.35239118,0.270913902,0.270913902,3.692038454,3.235297648,2.861889454,2.704236987,2.146291337,1.792729205,0.959945994,0.943918427,1.711082988,1.271514675,0.903236254,0.76031856,0.21522734,0.132461298,0.943918427,0.943918427,3.615085613,3.082436918,2.685783708,2.457539916,1.839650248,1.457034622,0.57614823,0.399277246,1.824002405,1.473548589,1.130999652,1.058262671,0.575706228,0.255496237,0.399277246,0.399277246,3.738900441,3.323272602,2.962054629,2.838982085,2.311357786,1.971500958,1.207644823,1.207644823,1.6681969,1.189052704,0.808874618,0.631337262,0.056211821,0.305372287,1.148101453,1.207644823,3.624357324,3.07721543,2.868735919,2.529124506,1.897034744,1.455889209,0.6186758,0.518518519,1.859479744,1.46914776,0.973568951,0.952239794,0.488844544,0.216641029,0.518518519,0.518518519,0,0,1,0,1,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.433012702,0,0.144337567,0,1.276142375,0.707106781,0.23570226,0.841260992,0.49279928,0.144337567,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,5.491563832,2.857589235,2.166502219,1.270620726,0.40824829,0,0,0,0.784509119,0.476264873,0.309500317,0.211770121,0.204124145,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,5,2,0,1,0,0,0,0,0,0,0,0,3,1,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.219907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.347569444,0,0,0,1.310763889,0.580555556,0,0.347569444,0,0,0,0,0,0,0,0,6.486111111,3.872685185,1.122685185,0,0,0,0.671296296,0,0,1.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.347569444,0,0,0,0.243402778,0.290277778,0,0.347569444,0,0,0,0,0,0,0,0,2.141203704,3.872685185,1.122685185,0,0,0,0.671296296,0,0,1.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.872685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.347569444,0,0,0,0.290277778,0.290277778,0,0.347569444,0,0,0,0,0,0,0,0,2.172453704,3.872685185,1.122685185,0,0,0,0.671296296,0,0,1.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.5,1.928571429,0.347569444,3.872685185,0.041666667,0.671296296,4.669990741,0.662037037,0.872685185,2.717592593,0.662037037,0.872685185,2.717592593,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0.28571,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.18136,0.88305,7.55695,1.37559,0.19651,2.69442,0.38492,3.18073,0.4863,0.06947,0.23327,0.03332,0.23327,0.03332,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.022106113,2.748063851,3.141619208,2.932461236,2.304987318,19.28421252,42.46422837,57.70934087,65.97400337,61.58168595,48.40473368,0.209068641,0.460373402,0.62565238,0.715253226,0.667634179,0.524777036,3.474021589,2.37021131,1.644253572,1.250698215,1.459856187,2.087330105,0.209068641,0.460373402,0.62565238,0.715253226,0.667634179,0.524777036,6.73287657,15.64275278,17.81640094,18.21303588,15.70314021,8.173453201,27.64912502,18.42100773,16.36808494,15.95461758,14.69966974,10.93482624,7,3.06122449,2.666666667,7,2,5,2.23,1.0519,1.944161297,1.941967087,4.930998067,0,0,1.414213562,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.108,0.104,0.16,2.909,7,6,2,0,0,0,0,0,0,28,2.079441542,2.302585093,2.302585093,1.098612289,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,2,1.111111111,0.25,0,0,0,0,0,0,0,0.333333333,0.158730159,0.041666667,0,0,0,0,0,0,0,0.533730159,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,0,126.9918924,3.807354922,3.295836866,3.970291914,4.691347882,5.398162702,6.120297419,6.834108739,7.556427969,8.272059622,8.994296558,68.13282967,2.564949357,0,3.713572067,0,5.056245805,0,6.463029457,0,7.890956716,8.168486417,98.10955045,4.671883355,12.50524286,1.786463266,0,0,0,46,6,3.28,26,1.2229,2.118170782,2.937252896,3.596493675,4.165393204,5.350850018,0,0,0,0,73.6156376,83.24919968,87.72960659,55.60275891,19.05563552,5.436806073,0,0,0,0,277.7186352,345.2496554,415.7362423,370.2101086,241.2794076,166.3244545,0,0,0,0,8.892335553,15.0567824,20.80134703,25.19231944,28.51853865,35.94949322,0,0,0,0,2.107286619,2.7927084,3.537141069,3.511573516,2.746025002,2.37905697,0,0,0,0,175.5375183,329.4515686,461.4835413,584.4856961,727.7600699,989.4666217,0,0,0,0,2.895441667,3.969636728,5.908540365,6.559620898,5.50190906,5.350850018,0,0,0,0,0.4370085,0.586958034,0.749614665,0.757400435,0.610440846,0.547927042,0,0,0,0,322.4067315,133.2911573,9.162750239,154.2870841,-63.78621157,-8.951339249,168.1196474,197.0773688,18.11408949,0.676339237,0.279615873,0.019221458,0.323660763,-0.133809606,-0.018777964,153.689295,63.53907033,4.367826372,73.54769879,-30.40649257,-4.267048061,0.129282117,0.239970204,1.607311699,5.735521869,476.6938155,0,1,0,395.3145785,19.88251942,7.339181199,531.3577082,23.05119754,8.099576812,658.1364023,25.6541693,8.69838523,1.320009711,1.287571784,365.7387638,287.8380343,114.2408601,1.270640847,3.201470677,2.519571667,3.830784267,3.19886722,6.397722307,0.999996207,4.068248461,4.94524837,5.12684837,9.180654402,9.793591287,11.45488133,6.837964905,11.83108766,3.897115152,3.751631058,0.624902428,0.702632337,3.53E-16,3.42E-53,6.38E-112,2.30E-192,1.60E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0.341406595,4.914012639,0.293192234,6.473538476,1.064419146,1.606435715,0.521485441,0.763410358,0.578851619,0.133458653,0.004401282,0.004948697,2.48E-18,2.41E-55,4.49E-114,1.62E-194,1.12E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,1.102091888,4.916100373,1.036778692,7.005058511,1.69373506,3.138278108,1.278345634,2.147022718,0.868484744,0.550343674,0.045864414,0.051569238,2.59E-17,2.51E-54,4.68E-113,1.69E-193,1.17E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,3.840078807,4.941819137,4.744946773,9.00747636,8.851483346,10.68271198,6.262905044,10.84379656,3.556819716,3.416336093,0.556776843,0.626032763,3.14E-16,3.04E-53,5.69E-112,2.05E-192,1.42E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,1.624291139,4.918806776,1.619398754,7.376183513,2.467940096,4.331897238,1.956007179,3.356794147,1.182423537,0.932030012,0.09962353,0.112015276,5.62E-17,5.45E-54,1.02E-112,3.66E-193,2.55E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,4.913075095,4.959667718,6.63849172,9.830314048,13.74472189,14.50605273,9.181032171,15.83826397,5.312803734,5.122280851,0.91136132,1.02472323,5.14E-16,4.98E-53,9.31E-112,3.35E-192,2.33E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,2.256420595,3.496333382,2.378339347,7.340469124,3.245838192,6.968716087,2.667818172,4.243881472,1.607123438,1.382989399,0.168012327,0.188910752,9.48E-17,9.19E-54,1.72E-112,6.18E-193,4.29E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,3.725451274,1.581938158,0.528481043,0.638371138,0.271071499,0.559481677,0.511724148,0.394073147,5.835870475,8.698288228,17.6487266,0.457556706,1.465278972,2.748586938,0.980336768,0.186340743,0.70201821,0.250388392,0.30512338,0.198249001,0.049108814,3.915264449,3.389391248,7.806758437,0.553027314,0.552481196,3.136522024,1.219259033,0.322285765,0.670473968,0.260633095,0.396984921,0.305443228,0.14676993,4.678066822,5.22803904,11.13860166,0.505710952,0.849198078,3.701262902,1.56704316,0.520015619,0.639436283,0.270724961,0.552260558,0.502220527,0.38157211,5.788321681,8.539640152,17.34407255,0.459154425,1.436053195,3.309460707,1.325764,0.382854528,0.659507463,0.264197502,0.441820783,0.360580891,0.207031222,5.018079236,6.162180634,12.86005856,0.489261195,1.009432896,3.801179668,1.628570573,0.554982812,0.635146068,0.272120838,0.582392434,0.54204824,0.434506901,5.984733053,9.203907409,18.62425565,0.452719102,1.558947575,3.698260329,1.573627661,0.51917256,0.638615379,0.271733933,0.551526712,0.506947894,0.380283713,5.79106055,8.556704334,17.36918551,0.457923069,1.438758319 +UMLS0254,L,2-Ethyl-3-Methyl-1-Butene,CCC(=C)C(C)C,81818,,"Sandia, UML",[1],C7H14,PubChem,,15,0,0.3401,0.11566801,31.719,21.925516,0,0,21,9,12,0,7,0,2,0,0,0,0,0,0,0,1533.977617,1587.361749,1835.288765,1649.928564,1273.507338,692.998491,324.940057,76.792464,6.096384,3770.404799,4826.129313,5918.509592,5245.349781,4103.270915,3283.653005,2371.75072,1071.022993,186.5024666,160.108612,160.756332,289.480172,333.608376,244.68672,187.768236,181.090468,143.083584,40.310784,26.14406286,34.11395172,45.05843651,40.21634825,29.30843177,26.36183343,23.26926229,12.68152803,2.667677429,3477.474889,3058.266694,6006.696123,7392.131951,5026.742114,3883.978882,4304.604196,3724.295171,1109.505912,90.80555556,55.80555556,101.75,109,111.4166667,70.25,37,24.5,6,73.04655319,75.58865471,48.29707276,37.49837645,42.4502446,28.87493712,12.4976945,3.656784,1.016064,179.5430857,229.8156816,155.7502524,119.212495,136.7756972,136.8188752,91.22118153,51.00109489,31.08374443,7.624219619,7.655063429,7.617899263,7.582008545,8.156224,7.8236765,6.965018,6.813504,6.718464,1.244955374,1.624473891,1.185748329,0.914007915,0.976947726,1.098409726,0.894971627,0.603882287,0.444612905,165.5940423,145.6317473,158.0709506,168.0029989,167.5580705,161.8324534,165.5616999,177.3473891,184.917652,4.324074074,2.657407407,2.677631579,2.477272727,3.713888889,2.927083333,1.423076923,1.166666667,1,0.267190446,-0.162950503,0.035769029,0.037475553,-0.012478544,-0.047597501,0.003898193,0.008245397,0.004043154,751.701177,23.55958476,-73.33320653,220.8998048,-309.1760712,-557.5467739,-100.9300336,264.898665,155.7774423,1018.843734,-53.60334839,-352.3513046,226.8731107,-74.11378468,-458.4294915,-288.1000438,283.4622295,206.8407658,1.933471238,0.001383619,0.712137569,-0.271005642,-1.245007293,-0.927048272,0.252488372,0.370822095,0.139493932,4.548872301,-0.569345339,-1.785416275,0.173024958,0.511190705,-0.686013588,-1.432188613,0.790694985,0.723617017,25.57408015,-3.679573811,-9.715784514,-0.707339888,3.692264117,-1.706775385,-7.902382457,3.605386853,3.627165011,37.36507937,0.238095238,10.21371882,-2.894557823,-20.15249433,-17.03231293,3.462018141,5.357142857,2.12585034,0.012723355,-0.007759548,9.41E-04,8.52E-04,-4.16E-04,-0.001983229,1.50E-04,3.93E-04,6.74E-04,35.79529414,1.121884989,-1.929821225,5.020450108,-10.30586904,-23.23111558,-3.88192437,12.61422214,25.96290705,48.51636829,-2.5525404,-9.272402753,5.15620706,-2.470459489,-19.10122881,-11.08077092,13.49820141,34.47346096,0.092070059,6.59E-05,0.018740462,-0.006159219,-0.041500243,-0.038627011,0.009711091,0.017658195,0.023248989,0.216612967,-0.027111683,-0.046984639,0.003932385,0.01703969,-0.028583899,-0.055084177,0.037652142,0.120602836,1.21781334,-0.175217801,-0.25567854,-0.016075907,0.123075471,-0.071115641,-0.303937787,0.171685088,0.604527502,1.779289494,0.011337868,0.268782074,-0.065785405,-0.671749811,-0.709679705,0.133154544,0.255102041,0.35430839,-0.609866503,0.073981293,0.066941239,-0.032691964,-0.155873139,0.01178388,0.030859623,0.052962367,0.031341689,-0.053912708,0.140254473,-0.287911282,-0.648999153,-0.108447897,0.352398896,0.725316209,-0.052611943,-0.191119061,0.10627768,-0.050920124,-0.393706897,-0.228392423,0.278219535,0.710553205,7.16E-04,0.203545676,-0.066897091,-0.450746351,-0.419539335,0.105475019,0.191790852,0.252514106,-0.125161865,-0.216905938,0.01815397,0.078664221,-0.131958395,-0.254297692,0.173822199,0.556766467,-0.143879029,-0.209948874,-0.013200633,0.101062672,-0.058396175,-0.249576661,0.140978164,0.496404073,0.006372133,0.151061463,-0.036972851,-0.377538233,-0.398855671,0.074835795,0.143372982,0.199129142,1.551729417,0.937560508,1.243862393,1.869424653,1.121594427,0.111946097,0.054496703,6.71E-05,0.950545234,1.021715061,0.839619557,1.44718026,1.677252637,0.867224789,0.383466743,0,1.310951533,1.23276712,0.784341899,0.896060845,1.343704499,1.18980418,0.526103889,0,0.679257952,0.708216271,1.18367513,2.403545796,1.762697543,0.066047809,0.029204813,0,1.500880979,1.297332502,0.846465556,0.76901665,1.11795638,1.191329923,0.526778537,0,1.532055428,1.296707418,0.878612534,0.787465286,1.068882421,1.151056929,0.508970751,0,0.526762957,0.493393105,0.997866301,2.706527896,2.189358539,0.069480753,0.035046729,0,38.04700796,19.27350398,29.4042168,38.43589685,4.270655205,19.273504,0.5,9.43E-04,1.05E-04,-6.270038424,43.06239309,4.784710344,3.38638506,38.06021616,19.27937366,29.41328113,38.44796262,4.271995847,19.27937368,0.498531158,0.00127026,1.41E-04,-6.001680466,43.09665531,4.788517257,3.387100852,49.86076561,24.53138833,38.04390982,49.41743841,5.49082649,24.53138833,-0.797988956,0.216694553,0.024077173,-1.376339857,54.59571466,6.066190518,3.599959854,38.07407874,19.28553417,29.42279638,38.46062621,4.273402912,19.28553419,0.4969896,0.001613782,1.79E-04,-5.786257461,43.13277488,4.792530543,3.387854832,62.49726325,30.16633736,47.92531275,61.29471407,6.810523785,30.16633736,-2.164588529,0.329748891,0.036638766,-0.998481465,36.88477027,4.098307808,3.247018862,39.43183084,19.88904961,30.36366215,39.70115069,4.411238965,19.88904962,0.346268372,0.034186235,0.003798471,-3.038338973,47.63727007,5.293030008,3.477253896,35.84429084,18.09362364,28.18209227,36.37582728,4.041758587,18.09362372,1.228911565,0.241897402,0.026877489,-1.27731744,38.73016999,4.303352221,3.290956994,0,11.9,15.99591815,-0.315716656,0.264595025,4.277932207,7.590818162,9,21,20,20,8,1,1,0,0,1,15.992484,3.718256405,3.249042579,2.853948838,2.028500884,1.937578966,1.771635806,1.001278941,0.921882463,1.979780424,1.648725365,1.078796816,0.944577813,0.836382436,0.578838767,0.24742689,0.083923071,3.69117741,3.167539901,2.757348098,2.095899225,1.920716384,1.735223575,1.042415119,0.60421146,1.949284373,1.611009745,1.152501273,0.824985323,0.729668438,0.528266381,0.163734017,0.270913902,3.810376222,3.391881871,2.997799223,2.386450742,2.284043973,2.100825742,1.552993003,1.226712891,1.794919669,1.3414789,0.868035221,0.442532316,0.294227471,0.080647084,0.395593119,0.943918427,3.696422563,3.164907155,2.728325965,2.145396886,1.954904833,1.757352351,1.118398253,0.459592348,1.934113309,1.592529891,1.183228313,0.746119641,0.662530616,0.476086024,0.074550044,0.399277246,3.842662164,3.438526744,3.019560763,2.521841838,2.411468269,2.219537458,1.748840245,1.208936353,1.758753139,1.284185786,0.84929841,0.314197015,0.161929115,0.035954479,0.585676236,1.207644823,5.129930127,3.595784525,3.466619552,2.682268737,2.218588382,2.111240345,1.663443014,1.341615228,1.87875259,1.32747258,0.718758003,0.627679291,0.429062625,0.088026106,0.360261287,0.636363636,0,0,1,0,0,2,3,1,0,0,0.204124145,0.11785113,0.201184464,0.142258898,0,0.204124145,0.102062073,0.083333333,0.046473128,0.402368927,0,0.11785113,0,0.19245009,0,0.024056261,0,1.020220057,1.123773448,1.020220057,0.424037348,0.338579069,0.267777172,6.690234444,4.342535255,3.456942334,2.698584704,1.495781916,0.804737854,0.284517797,0.11785113,0.743359383,0.482503917,0.314267485,0.207583439,0.149578192,0.100592232,0.071129449,0.058925565,5.722273975,3.509201922,2.37987538,1.725101515,0.699936434,0.36785113,0.142258898,0.058925565,0.635808219,0.389911325,0.216352307,0.132700117,0.069993643,0.045981391,0.035564725,0.029462783,11.68056503,20.98834669,20.05098039,20.36,12.75180599,161.2212671,0.556217382,0.99944508,0.95480859,0.96952381,0.607228857,7.677203194,1.3496,33.974,28.63198205,42.64215309,57.2639641,6.362662678,28.63198205,0.180717926,0.02007977,-1.539736095,47.42710371,5.26967819,3.473274486,81,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,1,0,0,0,0,0,0,0,0,0,0,1,0,4,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.6099537,0.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.487569444,0.5125,0,0,0,0,0,0,0,0,0,0,1.843815193,0,3.802064437,0,0,0,0.240694444,0,0,0.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.80310185,4.806851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.806851852,0.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305625,0.5125,0,0,0,0,0,0,0,0,0,0,1.843815193,0,0.523148148,0,0,0,0.240694444,0,0,0.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.80310185,4.806851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.80310185,0.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,1.843815193,0,1.19789777,0,0,0,0.240694444,0,0,0.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.80310185,4.806851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.5,2.388888889,0.555902778,10.80310185,0.203055556,0.003472222,2.730928777,1.663194444,3.803101852,10.21990741,1.663194444,3.803101852,10.21990741,4.16666,0.46296,0,0.03704,0.54444,0.87037,0.43333,0.54444,0.87037,0.11111,0,-0.11111,0,0.53191,0.18238,0,0.2,0.24,0,6.75,0.75,5.25,0.58333,1.5,0.16667,-3.75,-0.41667,0,0,6.63077,0.73675,9.56078,2.93001,0.32556,3.28896,0.36544,4.34252,1.05356,0.11706,0.07148,0.00794,0.15748,0.0175,0.19047619,9.02,2,2,2,2,0,0,0.857142857,1.312744353,2.117344208,3.236857303,3.499227542,3.499227542,3.499227542,27.56763142,44.46422837,67.97400337,73.48377838,73.48377838,73.48377838,0.298872833,0.482056282,0.736936107,0.796670005,0.796670005,0.796670005,3.07957307,2.274973215,1.155460119,0.893089881,0.893089881,0.893089881,0.294374814,0.474801362,0.72584526,0.784680166,0.784680166,0.784680166,11.97240834,22.00807466,24.57835776,24.84278106,24.84278106,24.84278106,32.89486864,21.12137959,18.65498944,18.02554045,18.02554045,18.02554045,7.111111111,3.239669421,1.704142012,5,3,2,2.01,1.0607,0,1.142976172,0.577350269,0,2.575122657,4.298279727,0,1,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.428,0.426,0.669,0.273,3.985,11,13,10,8,4,2,0,0,0,66,2.397895273,2.63905733,2.833213344,2.63905733,2.397895273,1.609437912,1.098612289,0,0,0,4.356708827,1.166666667,0.5,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,4,0.444444444,0,3,6,1,1.5,1,0.5,0.262222222,0.090277778,0.04,0,0,0,0,0.166666667,0.111111111,0.0625,0.043703704,0.030092593,0.04,0,0,0,0,0.454074074,22.13476893,33.45423051,44.26953785,4.918837539,22.13476893,0.102912141,0.011434682,-2.046491685,74.46950211,8.274389123,3.879350707,26.3,132.2158871,4.169925001,3.713572067,4.48863637,5.293304825,6.09356977,6.906754779,7.715569535,8.530898838,9.343209045,10.15917574,80.24469096,2.944438979,0,4.262679877,0,5.746203191,0,7.304515946,0,8.898228986,9.128479345,128.0837296,6.09922522,17.23351841,1.914835379,5.309704203,5.309704203,0,96,8,1.439,40,1.311422581,2.279950978,3.061076247,3.96927262,4.99964309,5.643226919,6.214221372,7.192067047,0,0,114.1445281,118.2433671,128.4748756,184.8276221,152.4962365,75.07245212,24.06377359,7.307600412,0,0,336.3173356,378.3668977,393.1504676,579.790901,706.2639676,531.5080341,327.0367017,223.556374,0,0,10.08860191,17.40645163,23.34095875,32.33355389,39.09453596,39.35818467,42.38883853,48.31964354,0,0,2.319382937,2.848147341,2.943903989,4.097960229,5.63051107,5.164024567,3.833459857,3.197685822,0,0,188.0169184,356.0375415,509.9289532,658.2195338,805.5436724,930.2676978,1098.235338,1329.940152,0,0,3.51948882,6.176789038,7.924758302,14.7648383,14.59990487,8.117130995,7.345358878,7.192067047,0,0,0.517055202,0.664082853,0.736476245,1.063937612,1.317888785,1.11863146,0.856546993,0.736467666,0,0,358.1664335,270.7681528,12.85781036,127.6360373,-96.49082332,-17.02191896,230.5303962,367.2589761,29.87972932,0.737267624,0.557362651,0.026467157,0.262732376,-0.198621516,-0.035038766,173.9981383,131.5398376,6.24635604,62.00590227,-46.87548037,-8.269290288,0.349961559,0.417572138,2.245187092,2.984887082,429.491975,56.31049577,0.884087671,0.115912329,645.8627367,25.41382964,8.643973156,762.1071697,27.60628859,9.134231532,1101.916839,33.19513276,10.32879378,1.285631383,1.253812828,707.2579677,585.5694745,177.0164671,1.207812221,3.995436015,3.307994359,4.531422676,4.755382186,7.844401318,0.649583779,3.360032699,3.064326567,4.287631048,9.939350532,12.42570313,4.753845689,3.457510815,5.385117182,5.635237223,5.027525765,2.528325627,1.797794243,2.427174965,0.201056526,0.097599667,2.16E-19,1.01E-58,9.11E-120,1.59E-202,5.33E-307,0,0,0,0,0,0,0,0,0,0,0.298491782,3.215310093,2.224579036,3.517419691,3.593579802,1.507865694,1.810253661,0.631269396,1.394405941,0.684425001,0.889537823,0.0570473,0.126697483,0.001417696,6.87E-04,1.52E-21,7.11E-61,6.42E-122,1.12E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0.91615042,2.934226358,2.437018514,3.110703091,3.935896529,1.802914476,1.429657181,1.231207578,1.876218908,1.24984341,1.009216646,0.207348488,0.459731421,0.014760621,0.007163263,1.58E-20,7.41E-60,6.69E-121,1.16E-203,3.91E-308,0,0,0,0,0,0,0,0,0,0,3.176711882,3.214892366,4.653053596,10.21618252,12.76787353,4.782206749,3.733734734,5.823630499,6.011215402,4.767180774,2.352014546,1.618696838,2.238037147,0.179138873,0.086959546,1.92E-19,8.99E-59,8.12E-120,1.41E-202,4.75E-307,0,0,0,0,0,0,0,0,0,0,1.342655413,2.827423027,2.504488713,3.328956408,4.393614773,2.028710721,1.379348235,1.535244582,2.137252555,1.70312228,1.155156872,0.371400929,0.728891092,0.03205801,0.015559565,3.44E-20,1.61E-59,1.45E-120,2.53E-203,8.50E-308,0,0,0,0,0,0,0,0,0,0,4.057749124,3.159790555,5.249228004,13.07529854,16.553297,6.186757578,4.413810983,7.316162734,7.391348459,6.592208845,3.267478797,2.54326383,3.182313002,0.293216703,0.142339941,3.14E-19,1.47E-58,1.33E-119,2.31E-202,7.77E-307,0,0,0,0,0,0,0,0,0,0,2.246029208,3.639795809,4.322083688,13.78086495,12.22249672,4.019226535,7.603067157,8.777059352,6.217638658,3.571719163,1.754123273,0.802001385,1.530104068,0.081423902,0.039523832,8.73E-20,4.09E-59,3.69E-120,6.43E-203,2.16E-307,0,0,0,0,0,0,0,0,0,0,6.443247605,1.374123279,0.661817468,0.759889666,0.162058351,0.629117102,0.542253016,0.375593225,8.479188352,14.02748913,28.36628792,0.639834499,1.546963343,4.371936782,1.276607808,0.220949101,0.744857566,0.217498796,0.297174457,0.457043756,0.041401213,5.869493691,6.82928948,13.93195504,0.617286348,0.795619427,5.42859698,1.192936841,0.400718299,0.773056405,0.169879523,0.448539389,0.412529326,0.137322377,7.02225212,9.129343103,18.74663624,0.659584608,0.998391091,6.219716431,1.409855292,0.629903392,0.753040156,0.170695507,0.587229464,0.573006629,0.339984261,8.259475115,13.57479324,27.35782829,0.629560234,1.500220354,5.916011449,1.18000029,0.492750805,0.779575249,0.15549311,0.530694236,0.401353891,0.208183308,7.588762544,10.47746072,21.506065,0.669362873,1.140231436,6.52710298,1.413194883,0.691391479,0.756179089,0.163721703,0.645599669,0.573342506,0.409838125,8.631689342,14.71392282,29.72305454,0.634268633,1.6287803,6.25635809,1.441603928,0.633562772,0.750925941,0.173030023,0.594257313,0.599250902,0.344122526,8.33152479,13.89633255,27.94208062,0.626388911,1.537630741 +UMLS0255,L,ethylcyclobutanate,CCOC(=O)C1CCC1,84700,,UML,[1],C7H12O2,UML,"ethylcyclobutanoate (spelling, esters usually end -anoate)",-22.8,0,1.3062,1.70615844,36.2266,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1432.661672,1388.302447,977.777812,541.002002,152.483184,15.24096,0,3885.475125,4800.404174,6285.345707,6872.97297,6027.996325,3969.140209,1852.693924,466.2561665,0,167.819552,166.665724,297.5336,367.089532,418.770256,371.626184,205.944768,100.77696,0,29.42500648,37.33900896,52.14452968,59.59782287,56.79079623,40.73843634,20.6966326,6.669193573,0,3973.037281,3337.521256,6602.062723,8255.001704,9876.917704,9296.99474,5197.783413,2773.76478,0,46.05555556,51.80555556,73.16666667,94.83333333,100.1666667,78.5,44,15,0,48.76541633,52.3287937,34.11099219,26.69812398,16.29629687,10.01855559,5.0827728,1.016064,0,161.8947969,208.713225,149.6510883,132.1725571,100.4666054,73.50259646,61.75646414,31.08374443,0,6.992481333,7.246335826,7.084133333,7.059414077,6.979504267,6.88196637,6.8648256,6.718464,0,1.226041937,1.623435172,1.241536421,1.146111978,0.946513271,0.754415488,0.689887753,0.444612905,0,165.54322,145.1096198,157.1919696,158.7500328,164.6152951,172.1665693,173.2594471,184.917652,0,1.918981481,2.252415459,1.742063492,1.823717949,1.669444444,1.453703704,1.466666667,1,0,0.046483467,-0.007659014,-0.003705504,-0.013244124,-0.011336969,0.007069312,-0.007406816,0.013041381,0,645.6853813,-53.80711511,3.23E-13,-228.6802392,-282.4873543,80.71067267,-40.35533633,201.7766817,0,1200.679538,-100.0566282,8.53E-14,-425.2406698,-525.297298,150.0849423,-75.04247115,375.2123557,0,0.126485333,-0.010540444,1.84E-15,-0.044796889,-0.055337333,0.015810667,-0.007905333,0.039526667,0,5.367596186,-0.447299682,7.30E-15,-1.901023649,-2.348323331,0.670949523,-0.335474762,1.677373808,0,29.15686767,-2.429738973,-7.31E-14,-10.32639063,-12.75612961,3.644608459,-1.822304229,9.111521147,0,6.013888889,-1.960069444,1.15625,-0.75,-2.520833333,1.322916667,-1.53125,1.276041667,0,0.001936811,-3.33E-04,-8.82E-05,-2.55E-04,-1.89E-04,1.31E-04,-2.47E-04,8.69E-04,0,26.90355756,-2.339439787,7.70E-15,-4.397696908,-4.708122572,1.494642086,-1.345177878,13.45177878,0,50.0283141,-4.350288182,2.03E-15,-8.177705189,-8.754954967,2.779350783,-2.501415705,25.01415705,0,0.005270222,-4.58E-04,4.39E-17,-8.61E-04,-9.22E-04,2.93E-04,-2.64E-04,0.002635111,0,0.223649841,-0.019447812,1.74E-16,-0.036558147,-0.039138722,0.012424991,-0.011182492,0.111824921,0,1.214869486,-0.105640825,-1.74E-15,-0.198584435,-0.21260216,0.067492749,-0.060743474,0.607434743,0,0.250578704,-0.085220411,0.027529762,-0.014423077,-0.042013889,0.024498457,-0.051041667,0.085069444,0,-0.171932407,-0.045552343,-0.131502083,-0.097556997,0.067592131,-0.127474421,0.448895294,0,-0.086956522,2.86E-16,-0.163461538,-0.175,0.055555556,-0.05,0.5,0,-0.086956522,4.06E-17,-0.163461538,-0.175,0.055555556,-0.05,0.5,0,-0.086956522,8.33E-15,-0.163461538,-0.175,0.055555556,-0.05,0.5,0,-0.086956522,7.77E-16,-0.163461538,-0.175,0.055555556,-0.05,0.5,0,-0.086956522,-1.43E-15,-0.163461538,-0.175,0.055555556,-0.05,0.5,0,-0.340094387,0.109864731,-0.057559069,-0.167667436,0.097767513,-0.20369515,0.339491917,0,1.503034103,1.045122314,1.162210545,1.086630222,0.777141648,0.950498274,0.094781303,0,1.5,1.129464286,1.243990385,1.1140625,0.71875,0.790625,0,0,1.5,1.129464286,1.243990385,1.1140625,0.71875,0.790625,0,0,1.5,1.129464286,1.243990385,1.1140625,0.71875,0.790625,0,0,1.5,1.129464286,1.243990385,1.1140625,0.71875,0.790625,0,0,1.5,1.129464286,1.243990385,1.1140625,0.71875,0.790625,0,0,1.732101617,0.596942703,1.175741695,1.237644342,0.693482166,1.27482679,0,0,34.55744897,17.27872449,26.13136003,34.55744897,4.319681121,17.27872459,1.07E-14,0.161168479,0.02014606,-1.460244007,33.02063096,4.127578871,2.797706037,34.55744897,17.27872449,26.13136003,34.55744897,4.319681121,17.27872459,1.07E-14,0.161168479,0.02014606,-1.460244007,33.02063096,4.127578871,2.797706037,34.55744897,17.27872449,26.13136003,34.55744897,4.319681121,17.27872459,1.07E-14,0.161168479,0.02014606,-1.460244007,33.02063096,4.127578871,2.797706037,34.55744897,17.27872449,26.13136003,34.55744897,4.319681121,17.27872459,1.07E-14,0.161168479,0.02014606,-1.460244007,33.02063096,4.127578871,2.797706037,34.55744897,17.27872449,26.13136003,34.55744897,4.319681121,17.27872459,1.07E-14,0.161168479,0.02014606,-1.460244007,33.02063096,4.127578871,2.797706037,34.55744897,17.27872449,26.13136003,34.55744897,4.319681121,17.27872459,1.07E-14,0.161168479,0.02014606,-1.460244007,33.02063096,4.127578871,2.797706037,50.09086373,24.81105686,38.84153499,49.73930123,6.217412653,24.81105686,-0.46875,0.196878608,0.024609826,-1.300134355,29.07950662,3.634938328,2.696026949,0,11.89,12.11011416,-0.171565448,0.05102866,5.306776088,8.765879726,7,23,22,22,6,1,1,0,0,1,17.491312,3.590684639,3.16010056,2.756779838,2.237000525,2.220665565,1.536325241,1.149017434,0.376879111,1.926071206,1.671277238,1.445527815,1.142887906,1.107624617,0.694279151,0.452323488,0.083923071,3.611480051,3.194790443,2.805673737,2.307137471,2.289373342,1.629757103,1.260776038,0.498801464,1.873489138,1.597660701,1.351268992,1.028148467,0.995256194,0.554014103,0.301554739,0.270913902,3.706059982,3.347578325,3.018123255,2.600892813,2.577008622,2.015277246,1.707414835,0.960747079,1.725559151,1.378026564,1.059732689,0.656358357,0.631303587,0.086743077,0.212050256,0.943918427,3.626967528,3.220377903,2.841614451,2.358096165,2.339284039,1.697378512,1.340758708,0.584623846,1.840587856,1.550472777,1.289942426,0.952182384,0.920879472,0.460166663,0.199928855,0.399277246,3.753988139,3.421774277,3.119027431,2.734290717,2.707587959,2.186380653,1.899236901,1.207644823,1.681607566,1.308883941,0.964862884,0.528928296,0.506557967,0.078117733,0.398811382,1.145139223,3.651765134,3.242431722,2.907688921,2.560022204,2.381808189,1.715324663,1.371889117,0.641697742,1.891330339,1.508672258,1.203444741,0.889334053,0.708359139,0.401227258,0.136926569,0.533333333,0,0,1,0,1,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.40824829,0,0.144337567,0,1.207106781,0.666666667,0.666666667,0.841260992,0.49279928,0.450523785,6.568914101,3.680739213,3.009975955,1.882088123,0.788675135,0.333333333,0,0,0.821114263,0.525819888,0.376246994,0.268869732,0.197168784,0.166666667,0,0,6.198670613,3.334933866,2.536075375,1.562948829,0.679412342,0.24639964,0,0,0.774833827,0.476419124,0.317009422,0.223278404,0.169853085,0.12319982,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,54,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,5,2,0,1,0,0,0,0,0,0,0,0,3,1,2,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.185555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.34625,0,0,0,1.219652778,0.580555556,0,0.34625,0,0,0,0,0,0,0,0,6.533333333,3.873657407,2.558888889,0,0,0,0.722222222,0,0,1.311898148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.311898148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.34625,0,0,0,0.216944444,0.290277778,0,0.34625,0,0,0,0,0,0,0,0,2.097546296,3.873657407,1.271851852,0,0,0,0.722222222,0,0,1.311898148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.873657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.34625,0,0,0,0.290277778,0.290277778,0,0.34625,0,0,0,0,0,0,0,0,2.228009259,3.873657407,1.287037037,0,0,0,0.722222222,0,0,1.311898148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15,1.875,0.34625,3.873657407,0.043819444,0.722222222,5.409574306,0.611111111,0.873657407,2.813981481,0.611111111,0.873657407,2.813981481,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.5,0.25,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.58051,0.94756,9.01229,1.43178,0.17897,3.15631,0.39454,3.68073,0.52442,0.06555,0.23327,0.02916,0.23327,0.02916,0,7,0,0,0,0,0,0,0.75,0.918295834,2.114005463,3.323934896,3.740601563,3.740601563,3.275188021,22.03910002,50.73613111,79.77443751,89.77443751,89.77443751,78.60451251,0.200284263,0.461073665,0.724964467,0.815841255,0.815841255,0.714332564,3.666666667,2.470957038,1.261027604,0.844360938,0.844360938,1.309774479,0.200284263,0.461073665,0.724964467,0.815841255,0.815841255,0.714332564,6.73287657,17.09808847,20.1495148,20.5694419,20.5694419,14.9844794,31.59900002,18.70284314,15.80676719,14.52844636,14.52844636,13.52844636,8,3.9375,3.673469388,8,2,6,2.34,1.1928,1.72030651,3.150627212,4.521745165,0,1,2.149139864,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.108,0.104,0.16,3.408,8,7,4,2,0,0,0,0,0,36,2.197224577,2.397895273,2.302585093,1.791759469,1.386294361,0,0,0,0,0,3.784189634,1.194444444,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,5,0.666666667,2,1.111111111,0.375,0.16,0,0,0,0,0,0,0.285714286,0.138888889,0.053571429,0.04,0,0,0,0,0,0,0.518174603,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,0,144.287877,4,3.433987204,4.110873864,4.844187086,5.556828062,6.289715571,7.01301579,7.744569809,8.471568013,9.202207389,71.66695279,2.708050201,0,3.850147602,0,5.176149733,0,6.577861358,0,8.011355109,8.288283045,112.1252005,4.671883355,14.49604135,1.812005168,0,0,0,70,7,3.954,30,1.226391304,2.12425115,2.934458593,3.588065307,4.291030576,5.507877996,6.446029286,0,0,0,74.73814722,82.50600298,86.95503264,68.87037777,52.80583648,30.25472448,6.5495783,0,0,0,280.6431588,346.1648765,411.4992168,390.843163,354.06536,357.1885962,200.3667269,0,0,0,8.920641989,15.11083768,20.765321,25.11440627,29.66120877,37.89193924,43.3074157,0,0,0,2.124868553,2.808578287,3.504639289,3.583487983,3.505580965,3.936090389,2.865987805,0,0,0,175.8569114,329.4559529,462.3231935,585.4699737,728.7569707,947.8146877,1191.9846,0,0,0,2.822032609,3.866268635,5.495544145,6.155439713,6.599593331,8.265616637,6.446029286,0,0,0,0.4404825,0.590494118,0.74295215,0.769553159,0.763403942,0.869928994,0.660073399,0,0,0,377.8667065,177.5037813,10.55338188,158.9729331,-74.67791225,-10.33181338,218.8937734,252.1816935,20.88519526,0.703872588,0.330645817,0.019658351,0.296127412,-0.139106554,-0.019245623,202.8538265,95.29106596,5.665473728,85.34297213,-40.0900635,-5.546526969,0.113762384,0.211718681,2.710439524,4.394456228,536.8396396,0,1,0,457.3961477,21.38682182,7.704849633,612.8133496,24.75506715,8.493944243,773.6234577,27.8140874,9.180011177,1.521939252,1.467092504,561.2447751,475.2548825,129.2421115,1.180934264,4.342584383,3.6772448,4.270861022,4.462585949,7.652389268,0.714788097,4.625737202,5.862544279,5.420842198,18.25873211,5.692890642,8.561473079,10.17130442,11.4005826,9.961222521,2.946082545,3.077315889,1.033338581,3.850075463,1.432305862,1.13E-05,1.26E-31,2.70E-79,1.12E-148,8.90E-240,0,0,0,0,0,0,0,0,0,0,0,0.388216777,5.862267947,0.228768428,7.772439693,1.589633337,1.377197246,0.765739069,0.550336512,2.677931057,0.063924143,0.055885642,0.058804505,0.213495371,0.010087847,7.96E-08,8.85E-34,1.90E-81,7.86E-151,6.27E-242,0,0,0,0,0,0,0,0,0,0,0,1.253185036,5.862286994,0.887519129,9.109533508,1.885425472,2.389177533,2.16235762,1.986052952,3.340886378,0.327149796,0.31369621,0.144738154,0.761417388,0.105123147,8.30E-07,9.23E-33,1.98E-80,8.19E-150,6.53E-241,0,0,0,0,0,0,0,0,0,0,0,4.366319238,5.862514146,4.961104625,17.33255885,5.250031834,7.960875627,9.410391152,10.46073619,9.223939879,2.654634809,2.765369342,0.933706349,3.558680897,1.276158737,1.01E-05,1.12E-31,2.40E-79,9.94E-149,7.93E-240,0,0,0,0,0,0,0,0,0,0,0,1.84695863,5.862311161,1.458814516,10.26594725,2.249340274,3.218815855,3.27645856,3.202943381,4.040563865,0.60437022,0.597248164,0.237277842,1.195264569,0.228341522,1.80E-06,2.00E-32,4.30E-80,1.78E-149,1.42E-240,0,0,0,0,0,0,0,0,0,0,0,5.586245157,5.862670854,7.284140469,22.01063385,7.550213393,10.96777013,13.19880373,15.19333634,13.02191651,4.15576081,4.376486108,1.447617039,5.007056715,2.08888349,1.65E-05,1.83E-31,3.93E-79,1.63E-148,1.30E-239,0,0,0,0,0,0,0,0,0,0,0,2.625107179,4.354098193,1.960343879,11.0811337,2.826705383,5.001756843,4.610831504,4.621306906,5.367555772,0.940701888,1.002565889,0.37434515,1.78470687,0.407411445,3.22E-06,3.58E-32,7.67E-80,3.17E-149,2.53E-240,0,0,0,0,0,0,0,0,0,0,0,5.041330972,1.535554502,0.555322015,0.706840201,0.21529863,0.501396256,0.423632997,0.456214087,7.13220749,11.39352777,22.82461541,0.560260301,1.38124334,4.059656953,0.963231301,0.19333017,0.778275874,0.184660845,0.327505721,0.171477293,0.055718411,5.216218423,4.881464485,10.85367901,0.667413811,0.554701425,4.447966959,1.192039825,0.337180305,0.744157225,0.199431573,0.39165439,0.259770408,0.168941777,5.977187089,7.203852964,14.96882187,0.616235838,0.820366576,5.016879055,1.521527026,0.546366918,0.708121355,0.214760166,0.496591507,0.416227864,0.44169445,7.084772999,11.20568585,22.46105077,0.562182032,1.354513821,4.621758073,1.293361183,0.401262889,0.731709698,0.204762972,0.422321745,0.304267289,0.238933319,6.316382145,8.35112033,17.06609252,0.597564547,0.965522354,5.117925983,1.579429851,0.583356383,0.702943041,0.216933427,0.51660502,0.44717965,0.503173031,7.280712216,11.99035034,23.98656851,0.554414561,1.466957702,5.023997192,1.531258908,0.546183442,0.707461799,0.21562655,0.498113806,0.422130989,0.441198477,7.101439542,11.2734128,22.57666366,0.561192698,1.361443271 +UMLS0256,L,"2,3-Dimethyl-1-Hexene",CCCC(C)C(=C)C,86061,,"Sandia, UML",[1],C8H16,PubChem,,12.7,0,0.9738,0.94828644,39.3749,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,2106.57486,2021.920666,1141.35202,421.037737,93.979872,9.144576,0,4371.159516,5876.91121,8897.306245,10196.89575,7964.343121,4033.364857,1341.178331,279.7536999,0,188.796996,195.98202,384.63672,550.62244,625.114192,451.824868,183.793536,60.466176,0,33.10313229,45.14389758,72.20848416,88.89352217,78.15636024,44.39843551,16.01813686,4.001516144,0,4469.666941,3897.355064,8334.220529,12379.7691,15042.90601,11542.33476,4802.005979,1664.258868,0,42.08333333,51.02777778,84.69444444,120.6944444,126.1666667,82.5,33,9,0,48.76541633,56.15943233,39.01064556,25.92205982,12.68168911,6.379359652,3.480736,1.016064,0,161.8947969,217.6633782,164.7649305,130.7294327,88.49270135,61.11158874,49.67327153,31.08374443,0,6.992481333,7.258593333,7.122902222,7.059262051,6.945713244,6.845831333,6.807168,6.718464,0,1.226041937,1.671996207,1.337194151,1.139660541,0.868404003,0.672703568,0.593264328,0.444612905,0,165.54322,144.3464838,154.3374172,158.7149885,167.1434001,174.8838599,177.8520733,184.917652,0,1.558641975,1.889917695,1.568415638,1.547364672,1.401851852,1.25,1.222222222,1,0,0.035774736,-0.004474707,-3.52E-04,-0.014854912,-0.01512125,0.008060806,0.004024938,0.004830077,0,726.396054,6.89E-13,6.93E-13,-403.5533633,-363.198027,161.4213453,121.066009,121.066009,0,1350.764481,-6.39E-13,-6.75E-13,-750.4247115,-675.3822403,300.1698846,225.1274134,225.1274134,0,0.142296,2.05E-15,2.03E-15,-0.079053333,-0.071148,0.031621333,0.023716,0.023716,0,6.038545709,1.68E-14,1.67E-14,-3.354747616,-3.019272855,1.341899046,1.006424285,1.006424285,0,32.80147613,-1.98E-13,-1.97E-13,-18.22304229,-16.40073807,7.289216918,5.466912688,5.466912688,0,2.962962963,-1.333333333,0.435185185,-0.411522634,-1.024691358,0.58127572,-0.101851852,0.37345679,0,0.00132499,-1.66E-04,-6.52E-06,-1.90E-04,-1.68E-04,1.22E-04,1.49E-04,5.37E-04,0,26.90355756,2.55E-14,1.28E-14,-5.173761068,-4.035533633,2.44577796,4.483926259,13.45177878,0,50.0283141,-2.37E-14,-1.25E-14,-9.620829634,-7.504247115,4.548028554,8.33805235,25.01415705,0,0.005270222,7.59E-17,3.76E-17,-0.001013504,-7.91E-04,4.79E-04,8.78E-04,0.002635111,0,0.223649841,6.23E-16,3.08E-16,-0.043009585,-0.033547476,0.020331804,0.037274974,0.111824921,0,1.214869486,-7.34E-15,-3.65E-15,-0.233628747,-0.182230423,0.110442681,0.202478248,0.607434743,0,0.109739369,-0.049382716,0.008058985,-0.005275931,-0.01138546,0.008807208,-0.003772291,0.041495199,0,-0.125080081,-0.00492415,-0.14373509,-0.126803869,0.092176851,0.112507833,0.405040876,0,9.49E-16,4.77E-16,-0.192307692,-0.15,0.090909091,0.166666667,0.5,0,-4.73E-16,-2.50E-16,-0.192307692,-0.15,0.090909091,0.166666667,0.5,0,1.44E-14,7.14E-15,-0.192307692,-0.15,0.090909091,0.166666667,0.5,0,2.79E-15,1.38E-15,-0.192307692,-0.15,0.090909091,0.166666667,0.5,0,-6.04E-15,-3.01E-15,-0.192307692,-0.15,0.090909091,0.166666667,0.5,0,-0.45,0.0734375,-0.048076923,-0.10375,0.080255682,-0.034375,0.378125,0,1.570719345,1.082116933,1.228948011,1.058006254,0.652550768,0.592940917,1.65E-08,0,1.444444444,1.203703704,1.277777778,1.035185185,0.623737374,0.481481481,0,0,1.444444444,1.203703704,1.277777778,1.035185185,0.623737374,0.481481481,0,0,1.444444444,1.203703704,1.277777778,1.035185185,0.623737374,0.481481481,0,0,1.444444444,1.203703704,1.277777778,1.035185185,0.623737374,0.481481481,0,0,1.444444444,1.203703704,1.277777778,1.035185185,0.623737374,0.481481481,0,0,1.995138889,0.740277778,1.0515625,1.096875,0.758948864,0.975,0,0,38.33189522,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,-3.55E-15,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,38.33189522,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,-3.55E-15,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,38.33189522,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,-3.55E-15,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,38.33189522,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,-3.55E-15,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,38.33189522,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,-3.55E-15,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,38.33189522,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,-3.55E-15,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,46.0019026,22.86900686,32.68306569,45.79665569,5.088517299,22.86900686,-0.263888889,0.011931265,0.001325696,-3.985733706,39.52764968,4.391961075,3.309300377,0,11.89,12.11013444,-0.161883947,0.059292989,6.076143106,8.759332881,9,27,27,27,9,0,0,0,0,0,19.677726,3.692343094,3.111153377,2.910586584,2.491966121,2.228162312,1.888359015,1.293197769,1.016999831,2.025554051,1.624398772,1.507597489,1.297318073,1.122296208,0.873203622,0.540839862,0.377195559,3.714367331,3.144779676,2.950975494,2.552323956,2.297474018,1.965717227,1.397136819,1.132451016,1.975683879,1.548767931,1.422228425,1.192289103,1.009131631,0.750063592,0.393944648,0.219976496,3.811787904,3.295407213,3.129789259,2.8086968,2.587586062,2.287760743,1.819792765,1.598241094,1.831374797,1.325862984,1.165496808,0.857784143,0.642333563,0.348169673,0.103000863,0.317422958,3.730619117,3.169726474,2.980834872,2.596374262,2.347821619,2.021823684,1.472019226,1.215444133,1.944151858,1.500484016,1.367285652,1.123196853,0.934204221,0.668332448,0.295130444,0.113824519,3.859665742,3.369840593,3.216785994,2.927121813,2.719243076,2.432834875,2.004069614,1.799143569,1.78700034,1.256898942,1.084420877,0.745333283,0.516539854,0.209190496,0.281637788,0.512918933,3.706994019,3.242200096,3.064843146,2.752095718,2.485409433,2.124732094,1.573823068,1.325333559,1.954456694,1.415974167,1.275933994,0.944397598,0.768509969,0.531719765,0.154566123,0.036570631,0,0,0,0,0,3,3,3,0,0,0,0,0.068041382,0.204124145,0,0,0,0.068041382,0.204124145,0.760079655,0,0.166666667,0,0.760079655,0,0.166666667,0,1.478278096,1.558028605,2.075933094,1.478278096,1.558028605,2.075933094,6.853371151,4.198377303,3.872792013,2.860366219,1.816762979,1.33160016,0.504473335,0.068041382,0.761485683,0.466486367,0.322732668,0.220028171,0.139750998,0.095114297,0.072067619,0.068041382,6.853371151,4.198377303,3.872792013,2.860366219,1.816762979,1.33160016,0.504473335,0.068041382,0.761485683,0.466486367,0.322732668,0.220028171,0.139750998,0.095114297,0.072067619,0.068041382,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.0786,41.343,36.24670713,48.23696276,72.49341426,8.054823807,36.24670713,0.034470015,0.003830002,-3.030898907,80.37277837,8.930308707,3.948007987,67,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,7.152037037,0,4.383935185,0,0,0,2.964027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.377361111,0,1.459490741,0,0,0,0.980324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.389212963,0,1.463796296,0,0,0,0.996481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.5,1.611111111,0.2,2.389212963,0.2,0.980324074,6.462448565,0.353009259,0.389212963,2.304074074,0.353009259,0.389212963,2.304074074,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.33333,0.33333,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,10.41343,1.15705,10.41343,0,0,4.19836,0.46648,4.19836,0,0,0.21564,0.02396,0.30164,0.03352,0.222222222,9,0,0,0,0,0,0,1,0.918295834,1.446616668,2.623447687,3.003620372,3.276511689,3.355834261,24.79398752,39.05865003,70.83308754,81.09775004,88.4658156,90.60752505,0.193126721,0.304237833,0.551737067,0.631691154,0.689082904,0.705765228,3.836591668,3.308270835,2.131439816,1.75126713,1.478375813,1.399053241,0.193126721,0.304237833,0.551737067,0.631691154,0.689082904,0.705765228,6.73287657,13.07272657,16.50189266,17.69927539,17.97430209,18.36157335,35.54887502,26.03910002,23.8332514,21.58017408,20.84045497,19.97850325,7.111111111,2.722222222,1.704142012,0,0,0,2.45,1.2681,0.766309432,3.479380736,4.441492163,0,1.650963624,5.853800636,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.124,0.16,0.203,3.937,12,13,13,14,7,1,0,0,0,78,2.302585093,2.564949357,2.63905733,2.63905733,2.708050201,2.079441542,0.693147181,0,0,0,4.369447852,1,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,5,0.666666667,2.5,1.333333333,0.5625,0.413333333,0,0,0,0,0,0,0.277777778,0.111111111,0.05625,0.103333333,0,0,0,0,0,0,0.548472222,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,0,151.8638616,4.169925001,3.761200116,4.532599493,5.351858133,6.146329258,6.963189986,7.764296006,8.579416535,9.382695764,10.19694044,80.67852573,2.944438979,0,4.204692619,0,5.666426688,0,7.217443432,0,8.806723555,9.038602609,126.1408506,4.671883355,17.38201719,1.931335244,0,0,0,84,10,4.938,42,1.22699952,2.101630972,2.840238819,3.49035819,4.115963512,5.00809732,5.363830398,0,0,0,78.95148878,91.11723762,78.97458155,47.80761064,28.50346413,17.43290426,5.449994969,0,0,0,290.5400635,371.1463514,388.787801,321.293913,262.9894382,248.7764193,166.7279333,0,0,0,8.938429587,15.02120526,20.09851051,24.28045834,28.22348218,34.09099723,36.03670143,0,0,0,2.17886504,2.958404881,3.350345758,3.113871491,2.854104933,2.971188195,2.384828214,0,0,0,175.1121323,320.7291171,447.1681217,580.5617808,716.1870648,890.6975112,991.866923,0,0,0,2.362218352,3.387448363,4.473521501,4.967935765,5.269979306,6.121101571,5.363830398,0,0,0,0.45089223,0.619797973,0.711458912,0.674828803,0.630576096,0.665978551,0.549256233,0,0,0,328.4460507,150.515495,8.315569353,97.86820334,-44.84962154,-5.241575002,230.5778473,195.3651165,13.55714436,0.770431783,0.353062309,0.019505727,0.229568217,-0.105203195,-0.012295097,140.0212331,64.16690095,3.545045745,41.7226101,-19.12003295,-2.234558137,0.065203351,0.135969721,1.198660715,1.12888099,426.314254,0,1,0,620.8036052,24.91593075,8.530701456,795.1702547,28.19876335,9.264458536,1127.068646,33.57184305,10.40678996,1.450520005,1.450520005,436.4429157,334.4183774,202.7853414,1.305080537,2.15224095,1.649125006,3.925554801,4.044879394,6.288840458,0.554765877,5.020831515,7.454349673,11.74682904,13.10114814,20.10526751,11.80611298,14.75382903,11.01362749,10.23532752,1.423595462,2.970298503,0.011609476,1.09E-22,1.96E-64,6.85E-128,4.61E-213,5.981E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,0.4219314,6.526131582,0.761410327,5.933496736,2.193337405,1.77845177,2.138110388,0.643069395,0.340230257,0.049344093,0.020971772,8.18E-05,7.65E-25,1.38E-66,4.82E-130,3.25E-215,4.2E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,1.36066474,6.588157768,2.564143159,6.903192801,4.931372622,3.406546434,3.568085136,1.798852462,1.440116212,0.205498354,0.218135976,8.52E-04,7.97E-24,1.44E-65,5.03E-129,3.38E-214,4.39E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,4.739290068,7.352439744,10.9187847,12.48781014,18.68389329,11.04408165,13.57638326,10.038755,9.304121532,1.295470421,2.6465181,0.010343834,9.67E-23,1.75E-64,6.10E-128,4.11E-213,5.329E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,2.005075814,6.668577239,3.932196593,7.715351821,7.083572112,4.64852231,4.889740389,2.877622564,2.468295053,0.349618341,0.473693224,0.00185081,1.73E-23,3.13E-65,1.09E-128,7.35E-214,9.535E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,6.063252857,7.882866992,14.98929134,15.57023921,25.7367837,14.79577968,19.57336468,15.00917957,14.05267142,1.947937108,4.331732527,0.016931329,1.58E-22,2.86E-64,9.99E-128,6.72E-213,8.7227E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,3.331366715,6.124293858,6.455003502,9.20925574,11.05311429,7.203324135,8.265153368,5.744189697,5.196264407,0.74547378,1.144583435,0.004472616,4.18E-23,7.56E-65,2.64E-128,1.78E-213,2.3043E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,3.069862231,1.788559275,0.879265371,0.535034814,0.311721311,0.509235924,0.56899666,0.468303782,5.737686877,9.762472353,20.32788055,0.302552221,1.546536366,2.251611658,1.209649669,0.402263491,0.582786902,0.313094836,0.273373051,0.257874187,0.098965292,3.863524819,4.116000363,9.075154685,0.374180352,0.63021253,2.576002246,1.439386401,0.592492508,0.559042684,0.312374897,0.35801811,0.36669987,0.214354388,4.607881155,6.086950291,12.89171226,0.338564025,0.939072369,3.049550758,1.77420851,0.867528637,0.535827885,0.311741128,0.502482583,0.559804146,0.456078387,5.691287905,9.595288208,19.98037355,0.303741827,1.518365116,2.720867095,1.541869726,0.67693459,0.550819451,0.31214014,0.39957205,0.421456377,0.279310338,4.939671411,7.080816606,14.86037931,0.326229177,1.100338765,3.133466565,1.833493531,0.915989574,0.532635283,0.311662284,0.530680705,0.598267124,0.507544987,5.88294967,10.29487434,21.44035877,0.298952925,1.636492815,3.064786581,1.778389115,0.869115648,0.536524907,0.311326753,0.507449986,0.562358959,0.457378632,5.712291345,9.659662883,20.10896747,0.30478736,1.527187577 +UMLS0257,L,"1,2,4-trimethylcyclohexane",CC1CCC(C(C1)C)C,91517, (cis)(trans)(trans) reported,UML,[1],C9H18,PubChem,,-1.6,0,2.7773,7.71339529,43.102,29.17586,0,0,29,9,20,0,9,0,0,0,0,0,0,0,0,0,1318.698369,1396.254728,2161.094725,2391.048588,1280.631243,309.373344,27.433728,0,0,4433.327004,5682.867541,8620.516427,11464.48257,10335.18712,4862.796093,839.2610996,0,0,202.233924,202.676768,382.265428,515.149104,814.871532,732.779136,181.398528,0,0,33.9923581,44.5820862,69.20132001,96.26587017,103.2020439,60.05895902,12.00454843,0,0,4839.502245,4076.805803,8530.458067,10899.65576,19362.51851,19398.79454,4992.776605,0,0,49.375,57.9375,87.625,139.5,185.25,126,27,0,0,45.47235755,49.86624029,40.02027269,33.20900817,10.94556618,2.864568,1.016064,0,0,152.873345,202.9595551,159.6391931,159.2289246,88.33493264,45.02588975,31.08374443,0,0,6.973583586,7.238456,7.078989407,7.154848667,6.964713949,6.784992,6.718464,0,0,1.172150279,1.592217364,1.281505926,1.337025975,0.882068751,0.556101472,0.444612905,0,0,166.8793878,145.6002072,157.9714457,151.3841078,165.4916112,179.618468,184.917652,0,0,1.702586207,2.069196429,1.622685185,1.9375,1.583333333,1.166666667,1,0,0,0.037698578,-0.012969332,0.02387687,-0.018167497,-0.051071628,0.024887956,0.014594342,0,0,751.4441938,-57.58193056,400.0504626,-638.2957002,-977.7411809,583.0170469,314.8292053,0,0,1397.342566,-107.0760587,743.9109179,-1186.938111,-1818.151477,1084.145094,585.438351,0,0,0.147202759,-0.011279905,0.078367139,-0.125037746,-0.191532785,0.114209037,0.06167288,0,0,6.246771423,-0.478679803,3.325627928,-5.306165611,-8.127983047,4.846633001,2.61718182,0,0,33.93256151,-2.600196285,18.06486369,-28.82317582,-44.15133291,26.32698738,14.21657319,0,0,4.685344828,-3.189729489,3.25401308,0.005350773,-5.933115339,1.947681332,1.573127229,0,0,0.001299951,-4.63E-04,4.42E-04,-2.52E-04,-4.37E-04,2.30E-04,5.41E-04,0,0,25.91186875,-2.05649752,7.408341899,-8.865218059,-8.35676223,5.39830599,11.66034094,0,0,48.18422642,-3.824144954,13.77612811,-16.48525154,-15.53975621,10.0383805,21.68290189,0,0,0.005075957,-4.03E-04,0.001451243,-0.001736635,-0.001637032,0.001057491,0.002284181,0,0,0.215405911,-0.017095707,0.061585702,-0.073696745,-0.069469941,0.044876231,0.09693266,0,0,1.170088328,-0.092864153,0.334534513,-0.400321886,-0.37736182,0.243768402,0.526539748,0,0,0.161563615,-0.11391891,0.060259501,7.43E-05,-0.050710388,0.018034086,0.058263971,0,0,-0.356313756,0.340139177,-0.194104511,-0.335789306,0.177271327,0.415808885,0,0,-0.079365079,0.28590535,-0.34212963,-0.322507123,0.208333333,0.45,0,0,-0.079365079,0.28590535,-0.34212963,-0.322507123,0.208333333,0.45,0,0,-0.079365079,0.28590535,-0.34212963,-0.322507123,0.208333333,0.45,0,0,-0.079365079,0.28590535,-0.34212963,-0.322507123,0.208333333,0.45,0,0,-0.079365079,0.28590535,-0.34212963,-0.322507123,0.208333333,0.45,0,0,-0.70510251,0.372976933,4.60E-04,-0.313872573,0.111622202,0.360625575,0,0,1.893878987,0.623693962,1.493815405,1.391668431,0.452864479,9.76E-05,0,0,1.611111111,0.918930041,1.691666667,1.272364672,0.375925926,0,0,0,1.611111111,0.918930041,1.691666667,1.272364672,0.375925926,0,0,0,1.611111111,0.918930041,1.691666667,1.272364672,0.375925926,0,0,0,1.611111111,0.918930041,1.691666667,1.272364672,0.375925926,0,0,0,1.611111111,0.918930041,1.691666667,1.272364672,0.375925926,0,0,0,2.307727691,0.428839143,1.330611776,1.441346449,0.498006746,0,0,0,37.68803875,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,-3.55E-15,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,37.68803875,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,-3.55E-15,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,37.68803875,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,-3.55E-15,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,37.68803875,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,-3.55E-15,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,37.68803875,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,-3.55E-15,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,37.68803875,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,-3.55E-15,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,56.46679927,28.05191815,40.59955082,56.18449474,6.242721638,28.05191815,-0.362962963,0.038182916,0.004242546,-2.938830373,30.88796271,3.431995856,3.087329896,0,11.89,12.11013444,-0.15689918,0.064876315,5.912931606,10.15700569,8,28,28,28,8,0,0,0,0,0,21.86414,3.67617433,3.098235619,2.725134397,2.333552793,2.333552793,2.333552793,1.732151595,0.990922482,1.98804178,1.65646562,1.454934152,1.249629723,1.249629723,1.249629723,0.831423018,0.043938429,3.695355232,3.136415613,2.778679235,2.405454588,2.405454588,2.405454588,1.821190527,1.079788334,1.938789055,1.577123515,1.35760834,1.134540686,1.134540686,1.134540686,0.697939853,0.143687429,3.782850973,3.304488016,3.007835625,2.704236987,2.704236987,2.704236987,2.186956427,1.427400715,1.800942581,1.337894453,1.052102394,0.76031856,0.76031856,0.76031856,0.254655397,0.511736777,3.709653597,3.164585491,2.817838802,2.457539916,2.457539916,2.457539916,1.885494422,1.143025787,1.908039161,1.526027264,1.293945676,1.058262671,1.058262671,1.058262671,0.608759409,0.213282393,3.827351999,3.385806972,3.114870696,2.838982085,2.838982085,2.838982085,2.349056331,1.57115717,1.760189315,1.26197644,0.950894367,0.631337262,0.631337262,0.631337262,0.098472314,0.65386856,3.647342746,3.203603396,2.915394424,2.598486893,2.598486893,2.598486893,1.948682428,1.103089898,1.958108132,1.468406181,1.181820052,0.910986893,0.910986893,0.910986893,0.513917369,0.179138842,0,0,0,0,0,6,1,0,2,0,0,0,0,0,0,0,0,0,0,2.207106781,0.426776695,1.810660172,1.133883476,2.207106781,0.426776695,1.810660172,1.133883476,4.548097039,2.974873734,1.237436867,4.548097039,2.974873734,1.237436867,7.707106781,3.810660172,4.487436867,2.914213562,0.530330086,0,0,0,0.856345198,0.476332521,0.345187451,0.24285113,0.176776695,0,0,0,7.707106781,3.810660172,4.487436867,2.914213562,0.530330086,0,0,0,0.856345198,0.476332521,0.345187451,0.24285113,0.176776695,0,0,0,14.41827804,27.87836854,26.25490196,26.6,16.98554491,223.5398563,0.497182001,0.961323053,0.905341447,0.917241379,0.585708445,7.708270906,3.4687,43.527,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,48,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,6,0,1,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,13.81423611,0,1.260416667,0,0,0,0,0,0,0,0,0,0.925347222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.255208333,0,1.260416667,0,0,0,0,0,0,0,0,0,0.446180556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.326388889,0,1.260416667,0,0,0,0,0,0,0,0,0,0.479166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,1.777777778,0.2,2.326388889,0,0.446180556,6.801980903,0.803819444,0.326388889,3.628472222,0.803819444,0.326388889,3.628472222,4.5,0.5,0,0,0.42414,0.7,0.42414,0.42414,0.7,0,0,0,0,0.71429,0,0,0.66667,0,0.22222,4,0.44444,4,0.44444,0,0,-4,-0.44444,0,0,12.48498,1.38722,12.48498,0,0,3.81066,0.42341,3.81066,0,0,0.60334,0.06704,0.60334,0.06704,0,8,0,0,0,0,0,0,1,0.893571102,1.273555585,1.800453736,2.259420773,2.446557588,2.104919616,25.91356195,36.93311196,52.21315836,65.52320242,70.95017005,61.04266886,0.183938781,0.262157383,0.370617699,0.465094609,0.50361613,0.433291036,3.964409893,3.58442541,3.057527259,2.598560222,2.411423407,2.753061379,0.185875833,0.264918153,0.37452066,0.469992503,0.508919692,0.437854007,6.65913786,11.21895166,13.98636284,15.05904027,14.63629892,7.684582161,35.68332321,28.52181327,25.35729465,24.59606233,21.97546577,16.1841785,9,2.319526627,2,9,0,5,2.45,1.3767,5.259445099,2.749459274,0,7.742944452,0,0,1.414213562,0,0,1,0,0,0,0,0,0,0,0,0,0.003,0.187,0.158,-0.031,-0.002,3.441,13,12,3,0,0,0,0,0,0,45,2.197224577,2.63905733,2.564949357,1.386294361,0,0,0,0,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,8,1,1,2,4,1,4.5,2.444444444,0.375,0,0,0,0,0,0,0,0.5625,0.188034188,0.03125,0,0,0,0,0,0,0,0.781784188,18.84401938,25.9355264,37.68803875,4.187559862,18.8440194,0.065617059,0.007290784,-2.451527614,37.03619744,4.115133049,3.250706169,0,164.2203203,4.169925001,3.761200116,4.532599493,5.407171771,6.232448017,7.090909822,7.930565854,8.783089672,9.627272812,10.47754146,80.84279902,2.833213344,0,4.234106505,0,5.831882477,0,7.493873887,0,9.177507215,9.384797754,128.1565006,4.419189677,16.04143443,1.782381603,0,0,0,82,12,5.413,42,1.230142857,2.119673424,2.974813867,3.496053697,3.963750337,5.232313993,0,0,0,0,72.40063676,97.65536869,104.5059646,42.27773487,13.06715991,5.316365885,0,0,0,0,275.5059647,374.2696449,488.46211,320.8431749,191.3894514,162.6399109,0,0,0,0,8.939719117,15.08347624,21.31165094,24.37852191,26.95565571,35.1531132,0,0,0,0,2.098837641,2.933136458,4.062960048,3.158832821,2.307546899,2.326354323,0,0,0,0,176.9060838,329.2591553,448.4671845,576.4121287,707.052815,967.5472182,0,0,0,0,2.580314732,3.620833792,5.853323898,5.615607177,4.778800046,5.232313993,0,0,0,0,0.435567857,0.613298833,0.856428792,0.685462084,0.518038875,0.535788953,0,0,0,0,364.2174027,173.0869931,8.593834934,125.1656328,-59.48244883,-7.377006992,239.0517699,232.5694419,15.97084193,0.7442379,0.353684089,0.017560549,0.2557621,-0.121545792,-0.015074096,178.2418181,84.70583808,4.205677027,61.25393733,-29.10970137,-3.610182075,0.056384543,0.136300975,0.739673556,6.841225034,489.3830355,0,1,0,496.6525532,22.28570289,7.919253116,690.3932748,26.27533586,8.838234442,995.3025394,31.5484158,9.984317216,1.356712851,1.205835205,414.4132449,405.4236334,228.6926925,1.022173378,1.812096576,1.77278788,4.067698366,3.220218461,6.42424645,0.994972244,5.578011069,7.588291149,3.495937284,48.58256654,6.35776224,10.12579373,17.33418789,22.53472892,10.37700484,6.855368487,1.605890969,1.126710556,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.468123816,7.587802791,0.182669456,14.83471138,4.007804128,0.217695909,1.217036599,1.149629222,1.10069373,0.085427852,0.01131149,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.511160743,7.587836211,0.662636053,20.03278071,4.197078985,1.119151535,3.688359065,4.119357261,1.882958762,0.598577772,0.117866056,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.265187433,7.58823781,3.223642105,45.91847321,6.11116499,9.122654988,16.05793803,20.73189269,9.416000122,6.133586388,1.430820678,1.00387882,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.227172895,7.587878828,1.05041608,24.10306274,4.413236515,2.070820184,5.627883473,6.57231354,2.749905728,1.208785785,0.256018195,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.73625619,7.588515255,4.582989586,59.1255729,7.387448173,14.29024278,22.38835099,29.77032904,14.38152597,9.8767542,2.34203757,1.643201455,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.441589251,5.683365261,1.323331363,29.69426566,5.520683379,3.801064187,8.787806673,10.34759622,4.579343768,2.321954615,0.508118336,0.356498262,2.54E-15,3.49E-51,9.25E-109,4.73E-188,4.66E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,2.997050984,1.488431682,1.432255458,0.506452114,0.25152037,0.491023323,0.538311223,0.553632324,5.917738125,10.88526267,23.19215724,0.259678171,1.582966869,2.306597404,0.927400473,0.857060831,0.563814301,0.226689603,0.290393173,0.208483662,0.198245693,4.091058708,4.910872431,10.83530384,0.345721451,0.697122529,2.590064306,1.157738829,1.093210743,0.535025177,0.23915214,0.36639792,0.325244506,0.322543466,4.841013878,7.095756667,15.21489198,0.302537765,1.014185892,2.980860043,1.475276202,1.418767556,0.507388741,0.251114955,0.485716127,0.528810661,0.543254039,5.874903802,10.71981342,22.83387791,0.261083111,1.557780827,2.712401223,1.257144162,1.195125647,0.525183735,0.243412243,0.401937464,0.38365644,0.385485102,5.164671032,8.153984858,17.39389017,0.287775603,1.171079007,3.047461322,1.52939099,1.474249839,0.503620869,0.252745856,0.507732642,0.568435041,0.586573778,6.051102152,11.40818368,24.33041035,0.255431303,1.662741461,2.987313591,1.478132416,1.422579255,0.507354072,0.251040434,0.487969133,0.531104188,0.546177002,5.888025262,10.76809591,22.93772622,0.261031108,1.565250322 +UMLS0258,L,"2,2,3,3-tetramethylpentane",CCC(C)(C)C(C)(C)C,92723,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C9H20,PubChem,,3.6,0,0.3292,0.10837264,21.936,15.46793,0,0,15,5,10,0,5,0,0,0,0,0,0,0,0,0,731.481245,842.391485,777.88234,373.368409,90.93168,9.144576,0,0,0,2428.421953,3264.950672,3747.43968,2830.697185,1247.927098,279.7536999,0,0,0,104.88722,108.8789,191.073424,209.560996,163.638144,60.466176,0,0,0,18.39062905,25.0799431,32.08459929,27.72343953,14.68429815,4.001516144,0,0,0,2483.148301,2165.197258,4251.561752,4917.094387,4247.253023,1664.258868,0,0,0,23.80555556,28.77777778,41.33333333,44,30,9,0,0,0,48.76541633,56.15943233,28.81045704,12.44561363,3.78882,1.016064,0,0,0,161.8947969,217.6633782,138.7940622,94.35657284,51.99696242,31.08374443,0,0,0,6.992481333,7.258593333,7.076793481,6.985366533,6.818256,6.718464,0,0,0,1.226041937,1.671996207,1.188318492,0.924114651,0.611845756,0.444612905,0,0,0,165.54322,144.3464838,157.4652501,163.9031462,176.9688759,184.917652,0,0,0,1.587037037,1.918518519,1.530864198,1.466666667,1.25,1,0,0,0,0.019684929,-0.003067391,-0.00413249,-0.010474672,0.003000583,0.004831506,0,0,0,403.5533633,9.24E-14,-121.066009,-282.4873543,80.71067267,121.066009,0,0,0,750.4247115,2.42E-13,-225.1274134,-525.297298,150.0849423,225.1274134,0,0,0,0.079053333,1.13E-15,-0.023716,-0.055337333,0.015810667,0.023716,0,0,0,3.354747616,-1.33E-15,-1.006424285,-2.348323331,0.670949523,1.006424285,0,0,0,18.22304229,5.46E-14,-5.466912688,-12.75612961,3.644608459,5.466912688,0,0,0,1.803703704,-0.894444444,0.195925926,-0.407407407,-0.197037037,0.401111111,0,0,0,0.001312329,-2.04E-04,-1.53E-04,-3.49E-04,1.25E-04,5.37E-04,0,0,0,26.90355756,6.16E-15,-4.483926259,-9.416245144,3.362944694,13.45177878,0,0,0,50.0283141,1.61E-14,-8.33805235,-17.50990993,6.253539262,25.01415705,0,0,0,0.005270222,7.55E-17,-8.78E-04,-0.001844578,6.59E-04,0.002635111,0,0,0,0.223649841,-8.88E-17,-0.037274974,-0.078277444,0.02795623,0.111824921,0,0,0,1.214869486,3.64E-15,-0.202478248,-0.42520432,0.151858686,0.607434743,0,0,0,0.120246914,-0.05962963,0.007256516,-0.013580247,-0.008209877,0.044567901,0,0,0,-0.155824354,-0.116628707,-0.266058155,0.095269041,0.409069783,0,0,0,2.29E-16,-0.166666667,-0.35,0.125,0.5,0,0,0,3.22E-16,-0.166666667,-0.35,0.125,0.5,0,0,0,1.43E-14,-0.166666667,-0.35,0.125,0.5,0,0,0,-3.97E-16,-0.166666667,-0.35,0.125,0.5,0,0,0,3.00E-15,-0.166666667,-0.35,0.125,0.5,0,0,0,-0.495893224,0.060346794,-0.112936345,-0.068275154,0.37063655,0,0,0,1.553159505,1.089843159,1.220517292,0.65255514,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.983572895,0.750627424,1.056468172,0.970225873,0,0,0,0,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,16.09969296,7.963735371,12.18440096,15.99635963,3.199271926,7.964405848,-0.172222222,2.22E-16,4.44E-17,-18.02182669,2000007,400001.4,7.254330619,0,11.89,12.11005553,-0.161877421,0.059222037,5.239054887,6.635107239,5,15,15,15,5,0,0,0,0,0,10.93207,3.722321007,2.627204026,2.240212372,1.208534506,0.921221809,0.083923071,0.083923071,0.083923071,1.653785103,1.546192531,1.106628577,0.726794591,0.266477566,0.083923071,0.083923071,0.083923071,3.74308453,2.683901841,2.310574874,1.315494198,1.040395973,0.270913902,0.270913902,0.270913902,1.580851254,1.463800908,0.99385857,0.601618755,0.098752419,0.270913902,0.270913902,0.270913902,3.835216298,2.926268482,2.6051496,1.749788554,1.520567748,0.943918427,0.943918427,0.943918427,1.367526455,1.217206733,0.629137905,0.191472921,0.487945466,0.943918427,0.943918427,0.943918427,3.758420311,2.725363301,2.361691163,1.392521882,1.126052294,0.399277246,0.399277246,0.399277246,1.534429758,1.410875787,0.919258293,0.518431346,0.01533246,0.399277246,0.399277246,0.399277246,3.880688851,3.039124258,2.738836715,1.938747012,1.727081239,1.207644823,1.207644823,1.207644823,1.302051637,1.13971065,0.504312344,0.048864215,0.708684885,1.207644823,1.207644823,1.207644823,3.71925211,2.907852171,2.514953356,1.485553894,1.229734549,0.612244898,0.612244898,0.612244898,1.466343188,1.329987955,0.774656395,0.405937409,0.180803358,0.612244898,0.612244898,0.612244898,0,0,0,0,0,2,1,2,0,0.23570226,0.471404521,0.23570226,0,0,0.23570226,0.471404521,0.23570226,0,0,0.471404521,0,0,0,0.471404521,0,0,0,0.471404521,0,0,0.471404521,0,0,3.86180732,2.304530453,2.190270029,1.276142375,0.23570226,0,0,0,0.772361464,0.460906091,0.312895718,0.255228475,0.23570226,0,0,0,3.86180732,2.304530453,2.190270029,1.276142375,0.23570226,0,0,0,0.772361464,0.460906091,0.312895718,0.255228475,0.23570226,0,0,0,7.709139019,14.43918427,13.62745098,13.8,8.992772455,115.1412754,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.6623,22.945,9.772386304,15.00845428,19.54477261,3.908954521,9.772493789,4.44E-16,8.88E-17,-17.6752531,2000006.919,400001.3839,7.254330599,22,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,4.592592593,0,1.472222222,0,0,0,2.101851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.296296296,0,1.472222222,0,0,0,1.050925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.296296296,0,1.472222222,0,0,0,1.050925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.166666667,1.633333333,0.2,2.296296296,0.2,1.050925926,3.586898148,0.282407407,0.296296296,1.185185185,0.282407407,0.296296296,1.185185185,2.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.4,0.4,0,2.5,0.5,2.5,0.5,0,0,-2.5,-0.5,0,0,3.9223,0.78446,3.9223,0,0,2.30452,0.4609,2.30452,0,0,0.10948,0.0219,0.19548,0.0391,0.2,5,0,0,0,0,0,0,1,0.918295834,1.425605199,2.339572262,2.339572262,2.339572262,1.691527476,13.77443751,21.38407799,35.09358393,35.09358393,35.09358393,25.37291214,0.235045188,0.364895091,0.598832295,0.598832295,0.598832295,0.432960032,2.988594762,2.481285397,1.567318334,1.567318334,1.567318334,2.215363119,0.235045188,0.364895091,0.598832295,0.598832295,0.598832295,0.432960032,6.73287657,12.82058895,13.74170783,13.74170783,13.74170783,5.965170405,19.74937501,14.76455615,15.58777522,15.58777522,15.58777522,9.373994032,3.2,0.734693878,0.444444444,0,0,0,2.01,0.7045,0.333333333,1,2.828427125,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,2.169,7,5,1,0,0,0,0,0,0,23,1.791759469,2.079441542,1.791759469,0.693147181,0,0,0,0,0,0,3.17805383,1,0.333333333,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,0,2,3,0.5,1.5,1.222222222,0,0,0,0,0,0,0,0,0.3,0.305555556,0,0,0,0,0,0,0,0,0.605555556,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,0,82.67992313,3.321928095,3.218875825,4.007333185,4.844187086,5.666426688,6.502790046,7.333676396,8.168769824,9.001962273,9.836439218,68.58046054,2.397895273,1.945910149,3.663561646,3.931825633,5.153291594,5.733341277,6.741700695,7.458762692,8.373553741,8.9226583,70.07825032,4.671883355,9.115918943,1.823183789,0,0,0,16,1,2.723,24,1.222391529,2.127474007,2.932454931,3.515196824,3.412604685,0,0,0,0,0,79.23825166,69.97511254,37.10613168,12.35083052,3.467424767,0,0,0,0,0,290.8117196,320.1538369,282.9545954,175.4814047,106.0765319,0,0,0,0,0,8.906727723,15.11237731,20.51666634,23.9326871,22.92746172,0,0,0,0,0,2.178076375,2.68016243,2.761881167,2.092398477,1.517288082,0,0,0,0,0,174.3383021,330.9223839,478.040586,624.8543403,631.0508456,0,0,0,0,0,2.388383279,3.37593573,4.36200039,4.306752732,3.412604685,0,0,0,0,0,0.450622235,0.566314343,0.598101792,0.468874248,0.34945072,0,0,0,0,0,246.5281059,62.26386559,6.188949186,48.3994746,-12.22391406,-2.675930216,198.1286313,74.48777965,8.864879402,0.835893698,0.211115778,0.02098464,0.164106302,-0.041447172,-0.009073177,72.7079378,18.36333123,1.825291809,14.27433994,-3.605169399,-0.789205624,0.118309378,0.245800883,2.708849374,5.13279058,294.9275805,0,1,0,337.1021736,18.36034242,6.95964655,435.9231885,20.87877363,7.582341206,445.0033081,21.09510152,7.63462564,1.074453453,1.074453453,136.7743187,98.70954424,71.3154109,1.385624052,1.917878857,1.384126418,2.975679292,3.225180717,4.714305204,0.461718154,3.582622559,3.981520994,2.054812256,7.931382231,5.453193996,11.21673713,3.8941078,0.221437786,2.86E-04,1.55E-27,1.62E-72,3.28E-139,1.28E-227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300664723,3.98083143,0.139544131,3.805579262,0.283563257,0.427749808,0.0852876,0.001559604,2.01E-06,1.09E-29,1.14E-74,2.31E-141,9.01E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.970582286,3.980877763,0.472145546,4.317790966,0.800207517,1.719249728,0.434461786,0.016252281,2.10E-05,1.14E-28,1.19E-73,2.41E-140,9.39E-229,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.381703452,3.981445376,1.916920159,7.562077216,4.94617846,10.23404549,3.509420726,0.19729708,2.55E-04,1.38E-27,1.45E-72,2.93E-139,1.14E-227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.430459692,3.980937604,0.71779002,4.767378013,1.314785408,2.876248147,0.801326258,0.035302125,4.56E-05,2.47E-28,2.59E-73,5.23E-140,2.04E-228,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.326535577,3.981838901,2.588800653,9.431286442,7.546781873,15.22103311,5.490463461,0.322946199,4.17E-04,2.26E-27,2.37E-72,4.79E-139,1.87E-227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.268380059,3.443105669,0.996682701,5.794624229,2.594963561,5.622378773,1.741795533,0.083004584,1.07E-04,5.81E-28,6.09E-73,1.23E-139,4.80E-228,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.72536587,1.303280415,0.638991044,0.470429793,0.355346044,0.48209431,0.472458813,0.436145839,3.667637329,4.183913399,9.288408705,0.238663755,1.390698963,1.171227909,0.793962446,0.24055909,0.530988645,0.35995133,0.222139959,0.172420609,0.060936665,2.205749445,1.402655379,3.832103361,0.336409962,0.455497233,1.391309486,0.99604541,0.399008965,0.499327997,0.357471407,0.313473723,0.273285978,0.168820063,2.786363861,2.338383434,5.677696883,0.285199106,0.755579765,1.711646595,1.290652794,0.629145715,0.471340347,0.355410245,0.474457295,0.463173345,0.422707753,3.631445104,4.098025255,9.119342243,0.240125888,1.360338393,1.489410704,1.08621429,0.469542611,0.489106314,0.356700987,0.359242049,0.325976395,0.234366613,3.045167604,2.827184874,6.631987524,0.268710952,0.919585057,1.768317365,1.342819063,0.669809095,0.467691839,0.355154301,0.506398183,0.50214555,0.479577704,3.780945523,4.458397742,9.829825234,0.234269209,1.488121437,1.719886521,1.292671119,0.629704831,0.472202795,0.354908832,0.47903244,0.464606053,0.42344483,3.642262471,4.120269734,9.162521982,0.240667441,1.367083323 +UMLS0259,L,"1,2-dimethylcyclopropane",CC1CC1C,102832,,UML,[1],C5H10,PubChem,,14.7,0,-0.2186,0.04778596,39.327,30.93586,0,0,30,10,20,0,10,0,0,0,0,0,0,0,0,0,1462.96249,1684.78297,2179.217388,2152.131251,1582.187215,996.066964,419.935993,85.93704,6.096384,4856.843906,6529.901345,9585.725944,10701.77686,9225.295465,6587.503725,3744.012795,1350.776693,186.5024666,209.77444,217.7578,427.342512,611.112332,627.979516,539.702608,371.602468,203.54976,40.310784,36.7812581,50.1598862,78.88975002,93.9014626,85.85815293,64.79382852,39.73201206,16.68304417,2.667677429,4966.296601,4330.394515,9252.955815,14049.49488,14836.74102,13205.43544,9291.527827,5388.554039,1109.505912,45.05555556,55.11111111,93.08333333,124.6666667,125.4166667,104.75,71,33.5,6,48.76541633,56.15943233,36.3202898,24.73714082,17.57985794,12.77008928,7.776592463,2.864568,1.016064,161.8947969,217.6633782,159.7620991,123.0089294,102.5032829,84.45517596,69.33357028,45.02588975,31.08374443,6.992481333,7.258593333,7.1223752,7.024279678,6.977550178,6.919264205,6.881527185,6.784992,6.718464,1.226041937,1.671996207,1.314829167,1.079327156,0.953979477,0.830690109,0.735778001,0.556101472,0.444612905,165.54322,144.3464838,154.2159303,161.4884469,164.852678,169.3004544,172.0653301,179.618468,184.917652,1.501851852,1.837037037,1.551388889,1.432950192,1.393518519,1.342948718,1.314814815,1.116666667,1,0.040661778,-0.003308783,-0.010924509,-0.004932649,-0.00942047,4.59E-04,-0.003616805,0.007782438,0.003630896,807.1067267,-5.90E-13,-161.4213453,-161.4213453,-282.4873543,-40.35533633,-40.35533633,201.7766817,80.71067267,1500.849423,5.26E-13,-300.1698846,-300.1698846,-525.297298,-75.04247115,-75.04247115,375.2123557,150.0849423,0.158106667,3.67E-15,-0.031621333,-0.031621333,-0.055337333,-0.007905333,-0.007905333,0.039526667,0.015810667,6.709495232,1.83E-14,-1.341899046,-1.341899046,-2.348323331,-0.335474762,-0.335474762,1.677373808,0.670949523,36.44608459,-3.02E-13,-7.289216918,-7.289216918,-12.75612961,-1.822304229,-1.822304229,9.111521147,3.644608459,2.651851852,-0.766666667,-0.442592593,-0.047777778,-0.407407407,0.405185185,-0.69,0.409259259,0.214074074,0.001355393,-1.10E-04,-1.82E-04,-5.67E-05,-1.05E-04,5.88E-06,-6.70E-05,2.59E-04,6.05E-04,26.90355756,-1.97E-14,-2.690355756,-1.855417762,-3.138748381,-0.517376107,-0.747321043,6.725889389,13.45177878,50.0283141,1.75E-14,-5.00283141,-3.450228558,-5.836636645,-0.962082963,-1.389675392,12.50707852,25.01415705,0.005270222,1.22E-16,-5.27E-04,-3.63E-04,-6.15E-04,-1.01E-04,-1.46E-04,0.001317556,0.002635111,0.223649841,6.09E-16,-0.022364984,-0.015424127,-0.026092481,-0.004300958,-0.006212496,0.05591246,0.111824921,1.214869486,-1.01E-14,-0.121486949,-0.083784103,-0.141734773,-0.023362875,-0.033746375,0.303717372,0.607434743,0.088395062,-0.025555556,-0.007376543,-5.49E-04,-0.004526749,0.005194682,-0.012777778,0.013641975,0.035679012,-0.081373287,-0.134333884,-0.041830767,-0.07722625,0.004341567,-0.049415852,0.191394438,0.446475267,-7.31E-16,-0.1,-0.068965517,-0.116666667,-0.019230769,-0.027777778,0.25,0.5,3.50E-16,-0.1,-0.068965517,-0.116666667,-0.019230769,-0.027777778,0.25,0.5,2.32E-14,-0.1,-0.068965517,-0.116666667,-0.019230769,-0.027777778,0.25,0.5,2.72E-15,-0.1,-0.068965517,-0.116666667,-0.019230769,-0.027777778,0.25,0.5,-8.29E-15,-0.1,-0.068965517,-0.116666667,-0.019230769,-0.027777778,0.25,0.5,-0.289106145,-0.083449721,-0.006212676,-0.051210428,0.058766652,-0.144553073,0.154329609,0.403631285,1.533989612,1.251703958,1.0254692,1.035108316,0.899171082,0.911332973,0.404304895,0.00433893,1.45,1.305,1.1,1.063333333,0.864423077,0.805555556,0.3625,0,1.45,1.305,1.1,1.063333333,0.864423077,0.805555556,0.3625,0,1.45,1.305,1.1,1.063333333,0.864423077,0.805555556,0.3625,0,1.45,1.305,1.1,1.063333333,0.864423077,0.805555556,0.3625,0,1.45,1.305,1.1,1.063333333,0.864423077,0.805555556,0.3625,0,1.822625698,0.987255587,0.876396648,0.983880354,0.917154598,1.291026536,0.501222067,0,50.10809014,25.05404507,36.52774608,50.10809014,5.010809014,25.05404507,0,0.163926116,0.016392612,-1.808339466,78.23766948,7.823766948,4.359751238,50.10809014,25.05404507,36.52774608,50.10809014,5.010809014,25.05404507,0,0.163926116,0.016392612,-1.808339466,78.23766948,7.823766948,4.359751238,50.10809014,25.05404507,36.52774608,50.10809014,5.010809014,25.05404507,0,0.163926116,0.016392612,-1.808339466,78.23766948,7.823766948,4.359751238,50.10809014,25.05404507,36.52774608,50.10809014,5.010809014,25.05404507,0,0.163926116,0.016392612,-1.808339466,78.23766948,7.823766948,4.359751238,50.10809014,25.05404507,36.52774608,50.10809014,5.010809014,25.05404507,0,0.163926116,0.016392612,-1.808339466,78.23766948,7.823766948,4.359751238,50.10809014,25.05404507,36.52774608,50.10809014,5.010809014,25.05404507,0,0.163926116,0.016392612,-1.808339466,78.23766948,7.823766948,4.359751238,57.7380109,28.6039538,42.05718531,57.6280109,5.76280109,28.6039538,-0.183333333,0.126198519,0.012619852,-2.069899062,63.81581672,6.381581672,4.156001071,0,11.89,12.11015511,-0.161881022,0.059315855,5.383933097,9.383131292,10,30,30,30,10,0,0,0,0,0,21.86414,3.685437898,3.223192927,2.944515618,2.750129472,2.32456798,1.994665296,1.456797487,1.282656603,2.023491151,1.735501005,1.525793984,1.372874417,1.165688755,0.944524299,0.666206401,0.572264666,3.707852661,3.258393153,2.983802596,2.792995694,2.387922707,2.06805503,1.556142907,1.390336856,1.973063869,1.662421526,1.442527838,1.285229005,1.05672161,0.824398152,0.522081792,0.421107261,3.806900305,3.412567826,3.157734138,2.981537655,2.6567298,2.376223035,1.9628467,1.828132272,1.826791431,1.443139867,1.192478015,1.018928274,0.708087305,0.434454897,0.037619229,0.091965528,3.724387806,3.28430823,3.012844899,2.824624264,2.43415587,2.121444425,1.62787375,1.467919592,1.941146732,1.615476471,1.388972235,1.228596505,0.98491061,0.744803743,0.425347018,0.31928761,3.855506699,3.486985595,3.242395078,3.072480534,2.780551014,2.516261361,2.141548494,2.018774908,1.781716037,1.373646706,1.113598133,0.933903671,0.590372403,0.300670846,0.135164289,0.276888783,3.711788702,3.370152582,3.109892846,2.886391481,2.574065181,2.243396069,1.760019872,1.602030854,1.936290459,1.521394978,1.276301586,1.133685655,0.81241083,0.588098984,0.255963194,0.146648327,0,0,0,0,0,2,6,2,0,0,0,0,0.083333333,0.142258898,0,0,0,0.083333333,0.142258898,0.402368927,0,0.11785113,0,0.402368927,0,0.11785113,0,1.020220057,1.359475708,1.589255651,1.020220057,1.359475708,1.589255651,7.397341225,4.842535255,3.810495725,2.948584704,2.192705341,1.561834874,0.601007552,0.273353247,0.739734123,0.484253526,0.31754131,0.210613193,0.146180356,0.104122325,0.075125944,0.054670649,7.397341225,4.842535255,3.810495725,2.948584704,2.192705341,1.561834874,0.601007552,0.273353247,0.739734123,0.484253526,0.31754131,0.210613193,0.146180356,0.104122325,0.075125944,0.054670649,15.41827804,28.87836854,27.25490196,27.6,17.98554491,230.2825509,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.6128,46.03,43.99698258,63.66189698,87.99396516,8.799396516,43.99698258,0.07820127,0.007820127,-2.548469389,51.36653868,5.136653868,3.938986962,90,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,2,0,6,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,4.736917045,0,8.839518141,0,0,0,2.090231481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.306870748,0,1.383935185,0,0,0,1.021944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.430046296,0,1.508935185,0,0,0,1.068287037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.66666667,1.566666667,0.2,2.430046296,0.2,1.021944444,7.195344287,0.311388889,0.430046296,1.49170446,0.311388889,0.430046296,1.49170446,5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.2,0.2,0,5,0.5,5,0.5,0,0,-5,-0.5,0,0,11.53787,1.15379,11.53787,0,0,4.84252,0.48425,4.84252,0,0,0.07148,0.00715,0.15748,0.01575,0.2,10,0,0,0,0,0,0,1,0.918295834,1.375279366,2.664083512,3.422579762,3.347860598,3.606238929,27.54887502,41.25838097,79.92250535,102.6773929,100.4358179,108.1871679,0.187144143,0.280275123,0.542927025,0.697504804,0.682277408,0.734933632,3.988594762,3.53161123,2.242807084,1.484310834,1.559029998,1.300651667,0.187144143,0.280275123,0.542927025,0.697504804,0.682277408,0.734933632,6.73287657,12.21667895,18.1890332,17.94405786,18.87816086,19.4151562,39.49875002,30.76840725,23.66436096,23.06231063,21.7972296,20.16519546,8.1,4,2.285714286,3,0,3,2.56,1.409,0.2,3.783322213,1.807204007,0,6.631975708,6.447419591,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,4.664,12,14,15,15,8,5,3,1,0,93,2.397895273,2.564949357,2.708050201,2.772588722,2.772588722,2.197224577,1.791759469,1.386294361,0.693147181,0,4.543294782,1,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,1,3,6,1,1.5,1.111111111,0.5,0.342222222,0.090277778,0.04,0,0,0,0,0.15,0.092592593,0.045454545,0.048888889,0.022569444,0.04,0,0,0,0,0.399505471,25.05404507,36.52774608,50.10809014,5.010809014,25.05404507,0.163926116,0.016392612,-1.808339466,78.23766948,7.823766948,4.359751238,0,169.1598463,4.321928095,3.80666249,4.574710979,5.370638028,6.163314804,6.965080346,7.764296006,8.566935283,9.368113056,10.17080109,82.75055208,3.044522438,0,4.234106505,0,5.65248918,0,7.177018766,0,8.74687532,8.984818996,140.1565006,4.671883355,19.5566863,1.95566863,0,0,0,121,11,5.568,44,1.229266235,2.107975205,2.825764749,3.498834918,4.051056849,4.296694211,5.153898675,7.033430929,0,0,79.27849437,84.64431595,75.33621465,63.51246015,54.02400333,39.45650141,17.16135891,7.146415963,0,0,291.5000555,358.9466827,365.3581139,367.4078125,344.0547179,322.9171779,250.1430126,218.6253695,0,0,8.955521785,15.06036625,19.89825807,24.44543554,28.01604642,29.65576611,35.05545371,47.25385249,0,0,2.185186681,2.904176259,3.165172762,3.400591326,3.362816995,3.337693641,3.010700722,3.127154156,0,0,175.3995389,321.7881157,452.6501024,574.3001372,687.1479659,732.5266236,918.8618952,1300.605533,0,0,2.31020345,3.344829164,4.122520583,4.928412097,5.400430163,5.78051906,5.911925524,7.033430929,0,0,0.452167257,0.609885296,0.673350135,0.731567752,0.730974676,0.731163018,0.675701769,0.720223327,0,0,362.8458357,187.2612307,9.314551391,74.94213643,-38.67691266,-4.018416185,287.9036993,225.9381433,13.33296758,0.828816365,0.42774412,0.021276399,0.171183635,-0.08834622,-0.00917891,158.8495426,81.98071444,4.077798565,32.80876593,-16.93228716,-1.759214273,0.058361628,0.12625467,1.034154087,1.191161738,437.7879721,0,1,0,682.8851744,26.13207176,8.806078679,876.625896,29.60786882,9.57057649,1300.137475,36.05741914,10.91431353,1.49619855,1.435553478,589.8302798,503.0862721,199.15826,1.172423722,2.961615952,2.526062801,4.179021299,4.466158665,7.285318514,0.63122698,5.738588085,8.417320075,11.90997736,17.96230376,20.45107655,16.26120494,17.27499794,19.26000695,7.602811239,3.921797927,3.062109048,2.372835368,2.305700509,0.009974898,6.57E-23,8.36E-65,2.05E-128,9.70E-214,8.85E-321,0,0,0,0,0,0,0,0,0,0,0,0.471020617,7.493055205,0.832161173,6.892833969,1.099569396,2.884132555,1.991436244,2.187192147,0.456051856,0.227983532,0.59252103,0.142877237,0.016240519,7.03E-05,4.63E-25,5.88E-67,1.44E-130,6.83E-216,6.4E-323,0,0,0,0,0,0,0,0,0,0,0,1.526475872,7.584455346,2.728933239,7.80239549,3.821235639,5.143029446,3.655835892,4.691404378,1.291797198,0.802268341,0.957803422,0.498295397,0.169228667,7.32E-04,4.82E-24,6.13E-66,1.50E-129,7.12E-215,6.47E-322,0,0,0,0,0,0,0,0,0,0,0,5.409118269,8.32632916,11.10287233,16.80707001,18.83182784,15.27541645,15.82451192,17.8678776,6.944873546,3.632092833,2.861815137,2.201025789,2.054338526,0.008887455,5.85E-23,7.44E-65,1.83E-128,8.64E-214,7.885E-321,0,0,0,0,0,0,0,0,0,0,0,2.256882215,7.676077786,4.139219476,8.827610025,6.054308292,6.833733629,5.230503102,6.701661633,2.050509768,1.249853941,1.249774837,0.771900769,0.367584122,0.001590221,1.05E-23,1.33E-65,3.27E-129,1.55E-214,1.413E-321,0,0,0,0,0,0,0,0,0,0,0,6.966406668,8.79328627,15.04471326,22.78185782,26.93983971,20.1005859,23.23005396,24.80836402,10.28912669,5.066627203,3.859465127,3.049041618,3.362643317,0.014547452,9.58E-23,1.22E-64,2.99E-128,1.41E-213,1.2905E-320,0,0,0,0,0,0,0,0,0,0,0,3.780664034,7.500861711,6.803969586,11.21000024,10.48935035,10.66954597,9.336398273,11.18310415,4.03033044,2.129902498,2.084077878,1.457914937,0.93940492,0.004064015,2.68E-23,3.40E-65,8.35E-129,3.95E-214,3.607E-321,0,0,0,0,0,0,0,0,0,0,0,3.952667287,1.577425447,0.852607104,0.619278266,0.247140785,0.457609004,0.521311338,0.402622084,6.382699837,10.95003431,22.64877181,0.428917399,1.381542427,3.206144676,1.020958152,0.403231375,0.692421872,0.220493404,0.301280259,0.2182077,0.09003056,4.630334202,4.977840026,10.92808743,0.538632808,0.609518519,3.502600507,1.241920164,0.581796281,0.657602718,0.233166778,0.359463005,0.322973878,0.187486339,5.326316953,7.11029468,14.96739648,0.486404078,0.869923222,3.934181803,1.563644389,0.841490009,0.620600342,0.24665821,0.453344755,0.512231249,0.392196203,6.339316201,10.77802712,22.29390484,0.430900513,1.357772206,3.634760213,1.3404341,0.661350797,0.64485605,0.237811296,0.387055477,0.376298819,0.242275837,5.636545111,8.162505262,17.02125498,0.467284074,1.005630133,4.010541486,1.620571502,0.88740943,0.615253155,0.248610252,0.471088638,0.550256821,0.436141707,6.518522418,11.49647201,23.78259598,0.422879733,1.457487166,3.94661735,1.567135403,0.842884185,0.620865623,0.246535301,0.456203361,0.514560189,0.393487681,6.356636938,10.83233877,22.40211642,0.431298434,1.364251232 +UMLS0260,L,1-methyl-2-n-propylcyclohexane,CCCC1CCCCC1C,107252,"(cis) version reported, [9] has RON of 29.9",UML,[1],C10H20,UML,,-8.4,0,0.4726,0.22335076,28.2782,20.321516,0,0,19,7,12,0,7,0,0,0,0,0,0,0,0,0,1022.041615,1299.398024,1041.185213,815.305348,739.614628,201.84192,16.257024,0,0,3337.623245,4764.97461,5256.155257,4381.00159,3599.330659,2084.455817,497.3399109,0,0,133.40518,145.735712,256.353332,292.64872,229.787536,167.629824,107.495424,0,0,24.85765486,35.67373172,45.11971658,40.09165568,32.0765511,21.3736122,7.113806478,0,0,3106.572317,2851.825421,5539.746281,6961.736324,5488.248081,3929.30198,2958.682432,0,0,26.80555556,34.16666667,52.77777778,54.66666667,42.66666667,32,16,0,0,53.79166395,64.9699012,28.92181147,19.4120321,22.41256448,8.41008,1.016064,0,0,175.6643813,238.2487305,146.0043127,104.3095617,109.070626,86.85232572,31.08374443,0,0,7.021325263,7.2867856,7.120925889,6.967826667,6.963258667,6.984576,6.718464,0,0,1.308297624,1.783686586,1.253325461,0.95456323,0.9720167,0.890567175,0.444612905,0,0,163.5038062,142.5912711,153.8818411,165.7556268,166.3105479,163.7209158,184.917652,0,0,1.410818713,1.708333333,1.466049383,1.301587302,1.292929293,1.333333333,1,0,0,0.024286239,0.001232373,-0.017748231,1.43E-04,0.007694519,-0.014829692,0.011365355,0,0,535.2391977,48.29225844,-408.8073822,14.75596786,134.4805252,-319.2654863,262.9245182,0,0,995.3001436,89.80151672,-760.1947839,27.43935233,250.0722792,-593.687805,488.9193688,0,0,0.104849684,0.009460122,-0.08008256,0.002890593,0.026343812,-0.062541917,0.051505108,0,0,4.449454733,0.401454562,-3.398424386,0.122666672,1.117939441,-2.654060718,2.185697062,0,0,24.16950873,2.180707554,-18.4602952,0.666327308,6.072664787,-14.41689994,11.87274113,0,0,0.944444444,-0.055555556,-0.5,-0.166666667,0.472222222,-0.666666667,0.444444444,0,0,0.001278223,6.16E-05,-4.93E-04,3.39E-06,2.33E-04,-6.18E-04,7.10E-04,0,0,28.17048409,2.414612922,-11.35576062,0.351332568,4.075167431,-13.3027286,16.43278239,0,0,52.38421809,4.490075836,-21.11652177,0.653317913,7.577947854,-24.73699187,30.55746055,0,0,0.005518404,4.73E-04,-0.002224516,6.88E-05,7.98E-04,-0.002605913,0.003219069,0,0,0.234181828,0.020072728,-0.094400677,0.002920635,0.033876953,-0.110585863,0.136606066,0,0,1.272079407,0.109035378,-0.512785978,0.015864936,0.184020145,-0.600704164,0.742046321,0,0,0.049707602,-0.002777778,-0.013888889,-0.003968254,0.014309764,-0.027777778,0.027777778,0,0,0.04820651,-0.385696685,0.0026554,0.182415143,-0.483408438,0.555720402,0,0,0.085714286,-0.403108466,0.012471655,0.144660895,-0.472222222,0.583333333,0,0,0.085714286,-0.403108466,0.012471655,0.144660895,-0.472222222,0.583333333,0,0,0.085714286,-0.403108466,0.012471655,0.144660895,-0.472222222,0.583333333,0,0,0.085714286,-0.403108466,0.012471655,0.144660895,-0.472222222,0.583333333,0,0,0.085714286,-0.403108466,0.012471655,0.144660895,-0.472222222,0.583333333,0,0,-0.055882353,-0.279411765,-0.079831933,0.287878788,-0.558823529,0.558823529,0,0,1.25874925,1.420077687,0.889798982,0.688381733,1.44225266,0,0,0,1.221428571,1.470238095,0.87244898,0.74025974,1.357142857,0,0,0,1.221428571,1.470238095,0.87244898,0.74025974,1.357142857,0,0,0,1.221428571,1.470238095,0.87244898,0.74025974,1.357142857,0,0,0,1.221428571,1.470238095,0.87244898,0.74025974,1.357142857,0,0,0,1.221428571,1.470238095,0.87244898,0.74025974,1.357142857,0,0,0,1.376470588,1.279411765,0.983193277,0.545454545,1.588235294,0,0,0,26.91106085,13.45553043,21.73044764,26.91106085,3.844437265,13.45553465,0,1.67E-16,2.38E-17,-25.43193482,2000015.378,285716.4826,10.1560658,26.91106085,13.45553043,21.73044764,26.91106085,3.844437265,13.45553465,0,1.67E-16,2.38E-17,-25.43193482,2000015.378,285716.4826,10.1560658,26.91106085,13.45553043,21.73044764,26.91106085,3.844437265,13.45553465,0,1.67E-16,2.38E-17,-25.43193482,2000015.378,285716.4826,10.1560658,26.91106085,13.45553043,21.73044764,26.91106085,3.844437265,13.45553465,0,1.67E-16,2.38E-17,-25.43193482,2000015.378,285716.4826,10.1560658,26.91106085,13.45553043,21.73044764,26.91106085,3.844437265,13.45553465,0,1.67E-16,2.38E-17,-25.43193482,2000015.378,285716.4826,10.1560658,26.91106085,13.45553043,21.73044764,26.91106085,3.844437265,13.45553465,0,1.67E-16,2.38E-17,-25.43193482,2000015.378,285716.4826,10.1560658,28.25151114,14.11583494,22.92952581,28.23733881,4.033905544,14.11583709,-0.01984127,5.00E-16,7.14E-17,-24.66290622,2000015.377,285716.4824,10.1560658,0,11.9,12.10010405,-0.14971926,0.05038983,5.849125,7.255024214,8,20,20,20,8,0,0,0,0,0,13.118484,3.779409198,3.494788484,2.333953166,1.456797487,1.456797487,1.170806539,0.894974521,0.083923071,1.669448105,1.372874417,1.372874417,1.141382914,0.779045592,0.356365969,0.308073976,0.083923071,3.800193139,3.5197718,2.388129683,1.556142907,1.556142907,1.269574154,1.022574191,0.270913902,1.610024989,1.285229005,1.285229005,1.052726359,0.646194696,0.19479179,0.141935624,0.270913902,3.891608187,3.630250716,2.625760501,1.9628467,1.9628467,1.685196715,1.524945462,0.943918427,1.439081626,1.018928274,1.018928274,0.793430324,0.210690605,0.365819748,0.439213362,0.943918427,3.815499378,3.538210096,2.428113331,1.62787375,1.62787375,1.341732761,1.113449496,0.399277246,1.572501263,1.228596505,1.228596505,0.996197615,0.557789948,0.085190751,0.028939256,0.399277246,3.936281699,3.684429719,2.739188636,2.141548494,2.141548494,1.871079853,1.736938149,1.207644823,1.38714554,0.933903671,0.933903671,0.714710248,0.060342152,0.574490322,0.658013677,1.207644823,3.846440713,3.58482559,2.543969196,1.812378158,1.812378158,1.49507074,1.315097227,0.68852459,1.514143081,1.091066682,1.091066682,0.902395372,0.35810256,0.150367895,0.215918832,0.68852459,0,0,0,0,0,0,5,2,0,0.577350269,0.40824829,0,0.333333333,0.353553391,0.577350269,0.40824829,0,0.333333333,0.353553391,0.40824829,0,0,0,0.40824829,0,0,0,0.23570226,0.333333333,0.294627825,0.23570226,0.333333333,0.294627825,4.690234444,3.449489743,3.122453606,1.483163248,0.942809042,0.666666667,0.23570226,0,0.670033492,0.431186218,0.283859419,0.185395406,0.11785113,0.083333333,0.058925565,0,4.690234444,3.449489743,3.122453606,1.483163248,0.942809042,0.666666667,0.23570226,0,0.670033492,0.431186218,0.283859419,0.185395406,0.11785113,0.083333333,0.058925565,0,10.25096682,18.32702112,17.35294118,17.56,11.79132695,144.9122251,0.53952457,0.964580059,0.913312693,0.924210526,0.620596155,7.626959218,2.1965,30.065,20.17296746,31.07194694,40.34593491,5.763704988,20.17296746,5.55E-17,7.93E-18,-26.20096343,2000016.718,285716.674,10.15606627,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,0,0,7.791666667,0,0,0,2.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.552083333,0,0,0,1.1875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.583333333,0,0,0,1.1875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.16666667,1.452380952,0.2,1.583333333,0.2,1.1875,4.764958333,0.145833333,0.083333333,0.583333333,0.145833333,0.083333333,0.583333333,3.5,0.5,0,0,0.44737,0.7,0.44737,0.44737,0.7,0,0,0,0,0.71429,0,0,0,0.28571,0,4,0.57143,4,0.57143,0,0,-4,-0.57143,0,0,5.66047,0.80864,5.66047,0,0,3.44948,0.49278,3.44948,0,0,-0.03548,-0.00507,0.13652,0.0195,0.368421053,22,0,0,0,0,0,0,1,0.949452015,1.267443804,1.867965358,1.957939355,1.867965358,2.024352381,18.03958829,24.08143227,35.49134181,37.20084775,35.49134181,38.46269524,0.223509467,0.298367569,0.439735695,0.460916376,0.439735695,0.476550594,3.298475498,2.98048371,2.379962155,2.289988158,2.379962155,2.223575132,0.219682511,0.293258883,0.432206487,0.45302451,0.432206487,0.468391037,6.790838447,10.60673991,13.30026581,10.20334328,13.30026581,11.00029959,27.3155423,24.33248079,22.35950098,25.81783099,22.35950098,21.03168856,3.9375,1.239669421,0.96,0,0,0,2.23,0.8777,0,0,0,0,4.352752816,6.44394015,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.093,0.104,0.349,0.426,3.523,11,8,8,8,4,0,0,0,0,54,2.197224577,2.48490665,2.197224577,2.197224577,2.197224577,1.609437912,0,0,0,0,4.007333185,1,0.5,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,2,0.25,0,2,4,1,1.5,0.555555556,0.055555556,0,0,0,0,0,0,0,0.1875,0.111111111,0.013888889,0,0,0,0,0,0,0,0.3125,13.45553043,21.73044764,26.91106085,3.844437265,13.45553465,1.67E-16,2.38E-17,-25.43193482,2000015.378,285716.4826,10.1560658,0,104.9154337,3.807354922,3.663561646,4.48863637,5.342334252,6.184148891,7.03966035,7.886457271,8.740816628,9.589666822,10.44292979,78.37821202,2.833213344,2.564949357,4.110873864,4.394449155,5.59471138,6.107022888,7.158513997,7.793586803,8.763584409,9.305286849,96.09390038,5.057573704,13.42423461,1.917747802,0,0,0,46,4,3.521,38,1.239320977,2.165987439,2.969216188,3.90991716,4.930158805,5.575974542,0,0,0,0,92.31920472,72.06596048,68.34016248,103.0764765,43.29748627,5.665546997,0,0,0,0,322.8384398,341.3342557,342.8418415,472.8235703,442.0319505,173.3221676,0,0,0,0,9.068426656,15.47336707,20.77437372,27.3399326,34.50109129,37.46198422,0,0,0,0,2.360157045,2.862284362,3.044271632,4.090362298,4.50127891,2.479150238,0,0,0,0,174.3654411,329.8523345,485.871527,641.9163766,801.9112018,1031.09612,0,0,0,0,2.169565552,3.246151488,3.96968735,5.20942246,6.656245116,5.575974542,0,0,0,0,0.4861063,0.60434345,0.650915039,0.871437542,0.979867214,0.570979793,0,0,0,0,271.8136071,88.82143982,7.352747084,101.233209,-33.08031368,-4.84290759,170.580398,121.9017535,12.19565467,0.728631355,0.2380973,0.019709985,0.271368645,-0.088676038,-0.012982037,101.3992007,33.13455533,2.742918889,37.76472632,-12.3405057,-1.806631257,0.091458982,0.152152132,1.804747925,1.287159447,373.0468161,0,1,0,541.32473,23.26638627,8.149906431,662.4457981,25.73802242,8.71732926,714.2786458,26.72599195,8.939005864,1.506013963,1.506013963,404.08966,387.8226499,64.63109763,1.041944456,6.252248141,6.000558,3.761525938,3.699082161,6.775587481,0.831694238,5.330849391,5.115689657,3.856185026,9.215137252,7.574328334,9.466638975,5.411115209,3.492586556,1.09688033,3.618686956,2.515940481,0.671497397,0.006499059,1.62E-23,7.78E-66,7.22E-130,1.29E-215,4.4E-323,0,0,0,0,0,0,0,0,0,0,0,0,0.447381516,5.112407362,0.174284027,3.12095928,1.095425258,0.947659504,1.166762778,0.167389005,0.239049972,0.102198592,0.114268604,0.004729412,4.58E-05,1.14E-25,5.48E-68,5.08E-132,9.09E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,1.444201421,5.112762839,0.661013466,3.664342566,1.776498199,2.150053607,1.619341018,0.62258426,0.340707617,0.458597577,0.432707898,0.049284112,4.77E-04,1.19E-24,5.71E-67,5.30E-131,9.47E-217,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,5.031886987,5.115377454,3.537095355,8.594218164,6.950785166,8.755313257,5.004895718,3.209936306,1.01838258,3.275561802,2.308137128,0.598292092,0.005790545,1.44E-23,6.94E-66,6.43E-130,1.15E-215,4.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,2.128487036,5.113100247,1.073770007,4.245371405,2.43448112,3.134760752,2.052882997,1.001437696,0.432299394,0.810558853,0.702315429,0.107051675,0.001036095,2.58E-24,1.24E-66,1.15E-130,2.06E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,6.437772608,5.116971935,5.144004246,11.79552246,10.14066657,12.31586147,7.081370361,4.628907195,1.417022765,5.034287051,3.354347895,0.979315842,0.009478267,2.36E-23,1.14E-65,1.05E-129,1.88E-215,6.4E-323,0,0,0,0,0,0,0,0,0,0,0,0,3.715337954,5.025345154,2.21568177,6.218487394,4.589712452,5.87115005,3.362883473,2.08808947,0.725404655,1.945809063,1.490396677,0.318334163,0.003080984,7.68E-24,3.69E-66,3.42E-130,6.12E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,4.516072044,0.864737276,0.729781005,0.739056589,0.141514523,0.629935291,0.405567745,0.408094309,6.110590324,7.832028269,16.79257093,0.608584884,1.443597345,3.784119032,0.42166729,0.25567642,0.848179006,0.094513238,0.442061501,0.111900449,0.054468638,4.461462742,2.670959605,7.540389669,0.772268509,0.608430588,4.060964783,0.586879296,0.437542237,0.798555809,0.115405057,0.509196425,0.203600945,0.154435796,5.085386316,4.416924249,10.5451033,0.697833713,0.867233167,4.496486397,0.85258752,0.717407671,0.741201689,0.140540692,0.6244733,0.395239917,0.394979303,6.066481588,7.671114848,16.48788505,0.611802533,1.41469252,4.190051747,0.664801913,0.521378873,0.779365796,0.123655721,0.542131262,0.253874099,0.215709373,5.376232532,5.316772545,12.1453343,0.669048694,1.011714734,4.577913367,0.903221844,0.768721363,0.732482948,0.144518811,0.647338558,0.43942222,0.4509182,6.249856574,8.348337081,17.7767576,0.598724422,1.537678977,4.505745941,0.856740696,0.721341668,0.740610306,0.140822629,0.62704693,0.398775675,0.399151434,6.083828306,7.728440971,16.59683272,0.610915459,1.424974039 +UMLS0261,L,dicyclopropylmethane,C1CC1CC2CC2,111091,,UML,[1],C7H12,PubChem,,23,0,0.6091,0.37100281,31.6778,20.321516,0,0,19,7,12,0,7,0,0,0,0,0,0,0,0,0,1022.041615,1155.133903,1415.474264,883.88362,508.573634,138.343968,12.192768,0,0,3337.623245,4341.457709,6015.190369,4945.086311,3232.728704,1675.789819,373.0049332,0,0,133.40518,138.195196,256.823648,308.480656,230.139272,185.390208,80.621568,0,0,24.85765486,32.88483172,48.80792084,44.99446992,30.73263394,18.69386248,5.335354858,0,0,3106.572317,2725.031065,5524.351915,7140.801002,5445.519152,4674.825562,2219.011824,0,0,31.77777778,38.83333333,63.16666667,67.66666667,48.5,34,12,0,0,53.79166395,60.79652121,39.31872956,20.08826409,15.41132224,5.123850667,1.016064,0,0,175.6643813,228.4977741,167.0886214,112.3883252,97.96147587,62.06628959,31.08374443,0,0,7.021325263,7.273431368,7.133990222,7.010924,6.973917333,6.866304,6.718464,0,0,1.308297624,1.730780617,1.355775579,1.022601589,0.931291938,0.692365277,0.444612905,0,0,163.5038062,143.4226876,153.4542199,162.2909319,165.0157319,173.1416875,184.917652,0,0,1.67251462,2.043859649,1.75462963,1.537878788,1.46969697,1.259259259,1,0,0,0.033939398,0.001343166,-0.008603002,-0.018841966,-0.001665108,0.00271418,0.008083031,0,0,535.2391977,5.19E-13,-90.21262166,-219.9980662,-152.2547592,-2.347540341,197.1933886,0,0,995.3001436,-5.68E-14,-167.7542222,-409.0957984,-283.1242263,-4.365351507,366.6895266,0,0,0.104849684,1.51E-15,-0.017672033,-0.043096111,-0.029825662,-4.60E-04,0.038628831,0,0,4.449454733,4.05E-15,-0.749939426,-1.828848562,-1.265697023,-0.019515152,1.639272796,0,0,24.16950873,7.99E-14,-4.073682862,-9.934334414,-6.875286317,-0.106006617,8.904555847,0,0,2.298245614,-0.195906433,-0.348722684,-0.667282241,-0.570637119,-0.090489381,0.723915051,0,0,0.001786284,7.07E-05,-2.39E-04,-4.28E-04,-5.05E-05,1.01E-04,6.74E-04,0,0,28.17048409,2.73E-14,-2.505906157,-4.99995605,-4.613780583,-0.086945939,16.43278239,0,0,52.38421809,-2.99E-15,-4.659839506,-9.297631781,-8.57952201,-0.161679685,30.55746055,0,0,0.005518404,7.95E-17,-4.91E-04,-9.79E-04,-9.04E-04,-1.70E-05,0.003219069,0,0,0.234181828,2.13E-16,-0.020831651,-0.04156474,-0.038354455,-7.23E-04,0.136606066,0,0,1.272079407,4.21E-15,-0.113157857,-0.225780328,-0.20834201,-0.003926171,0.742046321,0,0,0.120960295,-0.010310865,-0.009686741,-0.015165505,-0.017292034,-0.003351459,0.060326254,0,0,0.039575419,-0.133781781,-0.239730346,-0.028247366,0.056276151,0.377087783,0,0,9.69E-16,-0.088955026,-0.177489177,-0.163780664,-0.00308642,0.583333333,0,0,-5.71E-17,-0.088955026,-0.177489177,-0.163780664,-0.00308642,0.583333333,0,0,1.44E-14,-0.088955026,-0.177489177,-0.163780664,-0.00308642,0.583333333,0,0,9.11E-16,-0.088955026,-0.177489177,-0.163780664,-0.00308642,0.583333333,0,0,3.31E-15,-0.088955026,-0.177489177,-0.163780664,-0.00308642,0.583333333,0,0,-0.08524173,-0.08008199,-0.125375896,-0.14295628,-0.027707096,0.498727735,0,0,1.175915285,1.254578859,1.276364396,0.941423138,0.598274874,0.009362672,0,0,1.285714286,1.1875,1.11038961,1.048701299,0.753968254,0,0,0,1.285714286,1.1875,1.11038961,1.048701299,0.753968254,0,0,0,1.285714286,1.1875,1.11038961,1.048701299,0.753968254,0,0,0,1.285714286,1.1875,1.11038961,1.048701299,0.753968254,0,0,0,1.285714286,1.1875,1.11038961,1.048701299,0.753968254,0,0,0,1.374045802,1.102894402,1.077897294,1.097675226,0.797709924,0,0,0,23.43607279,11.7180364,17.66296115,23.43607279,3.348010399,11.71806268,-7.11E-15,0.124913877,0.01784484,-1.456091536,55.20545693,7.886493847,2.807743264,23.43607279,11.7180364,17.66296115,23.43607279,3.348010399,11.71806268,-7.11E-15,0.124913877,0.01784484,-1.456091536,55.20545693,7.886493847,2.807743264,23.43607279,11.7180364,17.66296115,23.43607279,3.348010399,11.71806268,-7.11E-15,0.124913877,0.01784484,-1.456091536,55.20545693,7.886493847,2.807743264,23.43607279,11.7180364,17.66296115,23.43607279,3.348010399,11.71806268,-7.11E-15,0.124913877,0.01784484,-1.456091536,55.20545693,7.886493847,2.807743264,23.43607279,11.7180364,17.66296115,23.43607279,3.348010399,11.71806268,-7.11E-15,0.124913877,0.01784484,-1.456091536,55.20545693,7.886493847,2.807743264,23.43607279,11.7180364,17.66296115,23.43607279,3.348010399,11.71806268,-7.11E-15,0.124913877,0.01784484,-1.456091536,55.20545693,7.886493847,2.807743264,24.9744356,12.43166225,18.67816503,24.89507052,3.556438646,12.43167536,-0.111111111,0.06001718,0.008573883,-1.969187101,53.17751416,7.596787737,2.781544949,0,11.9,12.10010405,-0.138955647,0.061654571,5.483371444,8.12075541,7,19,18,18,6,1,1,0,0,1,13.118484,3.697845023,3.000006459,2.386441979,2.287266273,1.578943158,1.146644373,0.33224384,0.083923071,1.812982874,1.688009678,1.411981227,0.828545755,0.644337811,0.539995336,0.083923071,0.083923071,3.716038364,3.041468863,2.431368911,2.340345107,1.673208836,1.264009038,0.462866232,0.270913902,1.760196156,1.619984647,1.3275882,0.696279603,0.503728022,0.39604531,0.270913902,0.270913902,3.798333088,3.222867839,2.634884405,2.57152939,2.057833821,1.728447911,0.957943159,0.943918427,1.617992325,1.417783233,1.062816224,0.261155555,0.042566588,0.093984872,0.943918427,0.943918427,3.729560522,3.07200298,2.46482111,2.37945964,1.741150428,1.347711159,0.554853957,0.399277246,1.727736984,1.576463023,1.272382036,0.608163068,0.410112551,0.299038661,0.399277246,0.399277246,3.839855211,3.309932429,2.736796993,2.680327181,2.226766195,1.925803745,1.207644823,1.207644823,1.577636859,1.354240218,0.975305341,0.110189835,0.116569344,0.271675982,1.15551411,1.207644823,3.750279379,3.145806865,2.549266749,2.41842604,1.849527541,1.470497319,0.702453117,0.6,1.676211915,1.563369207,1.147605811,0.477489125,0.272164465,0.149416488,0.6,0.6,0,0,0,1,1,1,4,0,0,0,0,0.144337567,0.102062073,0.102062073,0,0,0.102062073,0.072168784,0.072168784,0.204124145,0,0,0,0.144337567,0,0,0,0.49279928,0.594861352,0.204124145,0.348461713,0.420630496,0.144337567,5.112884175,3.431851653,2.558730745,2.052095141,1.418611262,0.49279928,0.204124145,0,0.730412025,0.490264522,0.319841343,0.228010571,0.157623474,0.12319982,0.102062073,0,4.905777394,3.111136987,2.108154351,1.58915195,1.058486698,0.37139964,0.144337567,0,0.700825342,0.444448141,0.263519294,0.176572439,0.117609633,0.09284991,0.072168784,0,10.25096682,18.32702112,17.35294118,17.56,11.79132695,144.9122251,0.53952457,0.964580059,0.913312693,0.924210526,0.620596155,7.626959218,2.43289,31.955,22.87726984,33.16178179,45.75453968,6.536362811,22.87726984,0.106509552,0.01521565,-1.567664427,23.73191568,3.390273668,2.216774557,44,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,5,3,0,1,0,0,0,0,0,0,0,0,1,0,4,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,1.369791667,0.870833333,0,0.288541667,0,0,0,0,0,0,0,0,2.233287037,0,5.391712963,0,2.375,0,0,0,0,1.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.243402778,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.233287037,0,1.277777778,0,2.375,0,0,0,0,1.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.290277778,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.233287037,0,1.405925926,0,2.375,0,0,0,0,1.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.66666667,1.666666667,0.290277778,2.375,0.041666667,1.277777778,3.993585648,0.222222222,0.375,1.216574074,0.222222222,0.375,1.216574074,3.5,0.5,0,0,0.44737,0.7,0.43333,0.43333,0.7,0.01404,0.01404,0,0,0.71429,0,0,0.14286,0.14286,0,4.5,0.64286,3.5,0.5,1,0.14286,-2.5,-0.35714,0,0,5.57614,0.79659,6.53706,0.96091,0.13727,2.91672,0.41667,3.43185,0.51512,0.07359,-0.01785,-0.00255,0.06815,0.00974,0.263157895,7,0,0,0,0,0,0,0.714285714,0.949452015,1.994841445,2.970840013,3.366091329,3.576617645,3.576617645,18.03958829,37.90198745,56.44596025,63.95573525,67.95573525,67.95573525,0.223509467,0.469603457,0.699362219,0.792407902,0.841967673,0.841967673,3.298475498,2.253086069,1.2770875,0.881836184,0.671309869,0.671309869,0.219682511,0.461562849,0.687387654,0.778840197,0.8275514,0.8275514,6.790838447,16.46261862,19.04005469,20.59546991,20.8076436,20.8076436,27.3155423,18.17927904,16.12953415,14.13567519,13.61023202,13.61023202,5.142857143,2.34375,1.185185185,2,2,2,2.23,0.9433,0,1.850535862,0.5,0,5.676240019,3.789291416,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.076,0.353,0.392,3.54,8,9,9,4,2,0,0,0,0,46,2.197224577,2.48490665,2.708050201,2.772588722,1.945910149,1.386294361,0,0,0,0,4.17438727,1.391304348,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,2,0.285714286,0,2,4,1,1,0.444444444,0.222222222,0.125,0,0,0,0,0,0,0.142857143,0.055555556,0.055555556,0.0625,0,0,0,0,0,0,0.316468254,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,0,114.6354337,3.807354922,3.433987204,4.17438727,4.934473933,5.693732139,6.459904454,7.22329568,7.990576882,8.755107122,9.522446728,72.18791141,2.708050201,0,3.850147602,2.397895273,5.176149733,4.442651256,6.577861358,6.259581464,8.017966703,8.436416881,96.09390038,5.057573704,13.58523637,1.940748052,0,0,0,43,4,2.855,30,1.288446475,2.268175339,3.117199226,3.951675891,4.629182039,5.601489374,0,0,0,0,93.06062725,98.78658284,70.03186961,68.15670177,25.86484852,5.6914717,0,0,0,0,328.8175894,406.4326173,372.510353,409.1005868,303.4991967,174.1152641,0,0,0,0,9.418553152,16.24339963,21.9087398,27.61359236,31.86259209,37.63340471,0,0,0,0,2.416719621,3.242694496,3.326039261,3.818220527,3.334492849,2.490494462,0,0,0,0,181.8584459,343.5830373,501.9292508,648.0632687,795.3534764,1035.814263,0,0,0,0,2.721561975,4.086301637,4.889830077,5.888136066,5.977862354,5.601489374,0,0,0,0,0.4982543,0.679248311,0.710926566,0.822303095,0.736564444,0.573592512,0,0,0,0,304.7090929,111.5912026,9.106434378,141.8963154,-51.965566,-6.066380229,162.8127775,163.5567686,15.17281461,0.682278108,0.249865319,0.020390336,0.317721892,-0.116356777,-0.013583311,136.0847288,49.83723459,4.066982843,63.37166186,-23.20810282,-2.709278219,0.156086735,0.231446555,3.411522794,2.620325531,446.6054082,0,1,0,420.0728545,20.49567892,7.489305377,536.5295998,23.1631086,8.125770687,654.945453,25.5919021,8.684304519,1.462289308,1.384635505,359.9325545,302.6897255,101.9541916,1.189113882,3.530336015,2.968879658,3.819817699,3.548126297,6.601908458,0.860674594,3.42848078,3.664383848,6.422089709,9.454306767,6.934353634,11.74906589,4.594759968,6.089064237,3.224657233,2.787160634,1.507676584,0.355197182,1.31E-07,9.36E-36,1.29E-85,3.42E-157,1.75E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0.287743117,3.664154529,1.716084788,3.205128221,0.344688435,1.255298531,0.151945825,0.394174735,0.347261847,0.172095395,0.010660549,0.002501683,9.23E-10,6.59E-38,9.08E-88,2.41E-159,1.24E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0.928834632,3.664170301,2.622736713,4.082503792,1.155059514,2.953939261,0.624473017,0.929306071,0.858900465,0.596274393,0.110762475,0.026069464,9.62E-09,6.87E-37,9.46E-87,2.51E-158,1.29E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,3.236207071,3.664358829,6.114907857,8.930861259,6.341772803,10.94979857,4.169116881,5.518503201,3.021725307,2.588291272,1.343341516,0.316474294,1.17E-07,8.34E-36,1.15E-85,3.05E-157,1.56E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,1.368923859,3.664190343,3.261141929,4.803032892,1.870123313,4.251645901,1.077814407,1.482920367,1.232600973,0.92000592,0.240487892,0.056626358,2.09E-08,1.49E-36,2.05E-86,5.46E-158,2.80E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,4.140383782,3.664488948,7.581113841,11.55234317,9.343197798,14.88648033,6.345190932,8.453572957,4.006429315,3.567512675,2.198668072,0.518021708,1.91E-07,1.36E-35,1.88E-85,4.99E-157,2.56E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,2.066896953,3.635719787,4.252794891,6.168468218,3.419783416,6.832440592,1.935641809,2.61198299,1.842176925,1.431639309,0.542949744,0.127870986,4.72E-08,3.37E-36,4.64E-86,1.23E-157,6.31E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,3.96102803,1.417459021,0.633960437,0.658804595,0.235754079,0.595354291,0.571757808,0.446782881,6.012447488,9.024342917,18.59622145,0.488206892,1.613894979,2.932147455,0.830989336,0.234476433,0.733474523,0.20787137,0.326610915,0.196353051,0.06092192,3.997613224,3.31895016,7.887884737,0.600211785,0.583885886,3.321374852,1.052843682,0.385678099,0.697782979,0.221190451,0.418864319,0.315291202,0.165133212,4.759896633,5.183928818,11.29249877,0.546674468,0.899288733,3.933505456,1.401770229,0.623281617,0.660143934,0.235253293,0.587123434,0.559160406,0.431845352,5.958557302,8.8392501,18.23450174,0.4902159,1.578129191,3.502831609,1.156275603,0.456133015,0.684783403,0.22604522,0.465787578,0.380336709,0.231104185,5.115240227,6.175411352,13.13809919,0.527175104,1.077228472,4.047927116,1.466994579,0.667675401,0.654729243,0.237278049,0.621718129,0.612454822,0.495606647,6.182597096,9.620464689,19.76791003,0.482093864,1.729779598,3.936819431,1.403501412,0.624595522,0.659995747,0.235292723,0.588072742,0.56065036,0.432992649,5.964916365,8.860872115,18.27688588,0.48999362,1.581715751 +UMLS0262,L,1-ethylcyclopentene,CCC1=CCCC1,137448,,"Sandia, UML",[1],C7H12,PubChem,,18.3,0,-0.519,0.269361,35.8531,26.508688,0,0,25,9,16,0,9,0,0,0,0,0,0,0,0,0,1314.634113,1636.354618,2415.253022,1592.176495,941.542228,387.593305,79.840656,6.096384,0,4308.992027,6070.954879,9849.478304,9019.596276,5942.054793,3265.869607,1164.274226,186.5024666,0,175.360068,189.287272,387.07916,548.156284,470.921296,303.619492,163.238976,40.310784,0,32.21390648,45.70570896,78.23492116,81.86066088,57.67197385,33.9480202,14.01536674,2.667677429,0,4099.831637,3717.904324,8154.383728,12554.13899,11483.43934,7505.941516,4279.048127,1109.505912,0,36.58333333,46.02777778,83.80555556,107.75,88.75,57,27.5,6,0,52.58536452,62.93671608,44.72690781,20.41251917,13.84620924,8.80893875,3.326694,1.016064,0,172.3596811,233.4982646,182.3977464,115.6358497,87.38315872,74.22430925,48.51142609,31.08374443,0,7.01440272,7.280279692,7.168132593,7.027644667,6.925313176,6.900443,6.801624,6.718464,0,1.288556259,1.757911883,1.448794836,1.049495652,0.848117262,0.771545914,0.583973614,0.444612905,0,163.9932655,142.9963202,151.0071061,160.9504998,168.8741079,170.5895799,178.293672,184.917652,0,1.463333333,1.770299145,1.551954733,1.381410256,1.305147059,1.295454545,1.145833333,1,0,0.032161983,-6.13E-04,-0.005805726,-0.020670932,0.004984284,-0.003000307,0.005358664,0.003665892,0,697.3402118,49.58863729,-72.83331101,-543.7316596,25.76284672,-60.24244608,158.6448982,94.1409286,0,1296.733901,92.21218854,-135.4366519,-1011.092239,47.90711358,-112.0234009,295.0069626,175.0590767,0,0.13660416,0.009714074,-0.014267546,-0.106513299,0.005046765,-0.011801082,0.031077446,0.018441562,0,5.797003881,0.412231387,-0.60546485,-4.520052748,0.214167088,-0.500796724,1.318818383,0.782595524,0,31.48941709,2.239247437,-3.288894673,-24.55299827,1.16335902,-2.720335754,7.163842387,4.251071307,0,1.773333333,-0.369822222,-0.304844444,-0.566133333,0.336533333,-0.3244,0.1476,0.1944,0,0.001286479,-2.36E-05,-1.08E-04,-2.65E-04,7.33E-05,-6.82E-05,2.23E-04,6.11E-04,0,27.89360847,1.90725528,-1.348765019,-6.970918713,0.378865393,-1.369146502,6.610204091,15.69015477,0,51.86935606,3.546622636,-2.508086147,-12.96272102,0.704516376,-2.545986385,12.29195677,29.17651278,0,0.005464166,3.74E-04,-2.64E-04,-0.001365555,7.42E-05,-2.68E-04,0.001294894,0.003073594,0,0.231880155,0.015855053,-0.011212312,-0.057949394,0.003149516,-0.011381744,0.054950766,0.130432587,0,1.259576683,0.086124901,-0.060905457,-0.314782029,0.017108221,-0.061825813,0.298493433,0.708511884,0,0.070933333,-0.014223932,-0.005645267,-0.00725812,0.00494902,-0.007372727,0.00615,0.0324,0,-0.018322711,-0.083571844,-0.205997833,0.056975886,-0.053004186,0.173557125,0.474925657,0,0.068376068,-0.048353909,-0.249910969,0.013582516,-0.049084596,0.236979167,0.5625,0,0.068376068,-0.048353909,-0.249910969,0.013582516,-0.049084596,0.236979167,0.5625,0,0.068376068,-0.048353909,-0.249910969,0.013582516,-0.049084596,0.236979167,0.5625,0,0.068376068,-0.048353909,-0.249910969,0.013582516,-0.049084596,0.236979167,0.5625,0,0.068376068,-0.048353909,-0.249910969,0.013582516,-0.049084596,0.236979167,0.5625,0,-0.200525352,-0.079585538,-0.102323115,0.069770013,-0.103938824,0.086701128,0.456766917,0,1.372237257,1.181823083,1.15549041,0.840847929,0.92915953,0.511805907,0.005185439,0,1.282051282,1.234567901,1.228632479,0.827205882,0.852272727,0.434027778,0,0,1.282051282,1.234567901,1.228632479,0.827205882,0.852272727,0.434027778,0,0,1.282051282,1.234567901,1.228632479,0.827205882,0.852272727,0.434027778,0,0,1.282051282,1.234567901,1.228632479,0.827205882,0.852272727,0.434027778,0,0,1.282051282,1.234567901,1.228632479,0.827205882,0.852272727,0.434027778,0,0,1.633892423,0.988582568,0.89888182,0.892857143,1.24316473,0.77537594,0,0,36.69991975,18.34995988,26.95406031,36.69991975,4.077768861,18.34995992,-2.84E-14,0.178591935,0.019843548,-1.550386594,73.43100289,8.159000321,3.866711606,36.69991975,18.34995988,26.95406031,36.69991975,4.077768861,18.34995992,-2.84E-14,0.178591935,0.019843548,-1.550386594,73.43100289,8.159000321,3.866711606,36.69991975,18.34995988,26.95406031,36.69991975,4.077768861,18.34995992,-2.84E-14,0.178591935,0.019843548,-1.550386594,73.43100289,8.159000321,3.866711606,36.69991975,18.34995988,26.95406031,36.69991975,4.077768861,18.34995992,-2.84E-14,0.178591935,0.019843548,-1.550386594,73.43100289,8.159000321,3.866711606,36.69991975,18.34995988,26.95406031,36.69991975,4.077768861,18.34995992,-2.84E-14,0.178591935,0.019843548,-1.550386594,73.43100289,8.159000321,3.866711606,36.69991975,18.34995988,26.95406031,36.69991975,4.077768861,18.34995992,-2.84E-14,0.178591935,0.019843548,-1.550386594,73.43100289,8.159000321,3.866711606,40.36312728,20.07372735,29.65911121,40.29368283,4.47707587,20.07372735,-0.125,0.132426612,0.014714068,-1.819553996,58.08542941,6.453936601,3.655723363,0,11.9,12.1001487,-0.14233521,0.058021305,5.592496439,8.875286223,10,26,26,26,10,0,0,0,0,0,17.491312,3.815581434,3.130561673,2.651344861,2.489066665,2.300015105,1.678903774,1.237041468,0.897311967,1.92032553,1.695403632,1.587143715,1.275217274,0.843571365,0.734954337,0.509936521,0.385174528,3.834834169,3.166418399,2.695183781,2.531137307,2.355316854,1.768117789,1.345365343,1.025598039,1.868311308,1.634073692,1.510403232,1.180765806,0.712824467,0.597783134,0.36187038,0.229863624,3.919826711,3.325122545,2.89151067,2.717839236,2.596735556,2.136600462,1.782071346,1.529544334,1.718991812,1.459966899,1.276406156,0.88804356,0.283948673,0.143037108,0.137300177,0.297573879,3.849028504,3.192916985,2.727779882,2.56222078,2.396069412,1.832699373,1.423155417,1.116879905,1.835523394,1.595592584,1.460706358,1.119275447,0.625812964,0.506161059,0.26235964,0.125218908,3.961568161,3.402463509,2.987157376,2.809674639,2.711277247,2.300451029,1.970962674,1.741819699,1.673502386,1.40755142,1.201623989,0.792506546,0.135625739,0.016409533,0.315485351,0.487692049,3.841292356,3.331510474,2.816825302,2.605204357,2.49706146,2.00110641,1.581525208,1.296376334,1.803557858,1.558674962,1.3260536,0.961865328,0.428699271,0.319740775,0.075867271,0.066505751,0,0,0,0,0,1,5,3,0,0,0,0.214076175,0.423540242,0.645391651,0,0,0.214076175,0.423540242,0.645391651,0.537457479,0,0.083333333,0,0.537457479,0,0.083333333,0,1.328412235,2.137065828,2.070500619,1.328412235,2.137065828,2.070500619,6.267584714,4.398178148,3.843187795,3.408915358,2.876464011,1.788440543,0.884736607,0.308603994,0.696398302,0.439817815,0.274513414,0.179416598,0.11505856,0.077758284,0.055296038,0.044086285,6.267584714,4.398178148,3.843187795,3.408915358,2.876464011,1.788440543,0.884736607,0.308603994,0.696398302,0.439817815,0.274513414,0.179416598,0.11505856,0.077758284,0.055296038,0.044086285,13.33462243,24.10269483,22.80392157,23.08,15.38843593,190.9687353,0.533384897,0.964107793,0.912156863,0.9232,0.615537437,7.638749413,2.8326,39.229,42.01487823,57.57805342,84.02975646,9.336639606,42.01487823,0.060163343,0.006684816,-2.529622836,40.90222947,4.544692163,3.340066115,75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,1,0,5,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,2.352546296,0,7.713472222,0,0,0,3.433981481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.352546296,0,1.445601852,0,0,0,1.128472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.352546296,0,1.581851852,0,0,0,1.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.5,1.5,0.2,2.352546296,0.2,1.128472222,6.193635741,0.204861111,0.352546296,1.240833333,0.204861111,0.352546296,1.240833333,4.5,0.5,0,0,0.444,0.7,0.444,0.444,0.7,0,0,0,0,0.71429,0,0,0.11111,0.33333,0,5,0.55556,5,0.55556,0,0,-5,-0.55556,0,0,9.45953,1.05106,9.45953,0,0,4.39816,0.48868,4.39816,0,0,0.01584,0.00176,0.18784,0.02087,0.28,28,0,0,0,0,0,0,1,0.942683189,1.429275071,2.694693952,3.38346519,3.448884071,3.749275071,23.56707973,35.73187677,67.36734879,84.58662974,86.22210176,93.73187677,0.202995776,0.307777634,0.580270758,0.728589571,0.74267676,0.807362441,3.701173001,3.214581119,1.949162238,1.260391,1.194972119,0.894581119,0.200552128,0.304072631,0.573285504,0.719818866,0.733736475,0.797643475,6.78267514,12.62177772,18.45424674,18.81649342,19.7617982,22.15520198,35.24630968,28.24639181,21.32799812,20.40054013,19.17048306,15.57441866,5.76,2,0.797783934,2,0,2,2.45,1.1595,0,1.670812655,1.040041912,0,4.427337466,9.818905799,0,1.889881575,0,0,0,0,0,0,0,0,0,0,0,0.003,0.111,0.124,0.31,0.411,4.293,14,19,25,23,16,7,2,0,0,125,2.397895273,2.708050201,2.995732274,3.258096538,3.17805383,2.833213344,2.079441542,1.098612289,0,0,4.836281907,1,0.4,2,0,0,2,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,3,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,2,0.2,0,3,5,0.666666667,2,0.888888889,0.409722222,0.276111111,0.0625,0,0,0,0,0,0.2,0.063492063,0.058531746,0.069027778,0.0625,0,0,0,0,0,0.453551587,18.34995988,26.95406031,36.69991975,4.077768861,18.34995992,0.178591935,0.019843548,-1.550386594,73.43100289,8.159000321,3.866711606,0,139.5074029,4.169925001,3.891820298,4.744932128,5.624017506,6.49677499,7.379632153,8.257126286,9.139810606,10.01900135,10.90115549,85.4542708,3.044522438,0,4.343805422,3.044522438,5.860786223,5.351858133,7.471363088,7.390798522,9.130322664,9.494917629,124.1252005,4.96500802,18.30374566,2.033749518,0,0,0,80,7,4.598,48,1.266169802,2.179059425,2.927500671,3.629805531,4.119441539,4.598850733,5.668557088,0,0,0,92.14547178,105.0473988,63.24529702,51.75134321,38.2946391,16.56293956,5.759616789,0,0,0,324.7535683,418.2334177,352.1514648,321.3601677,311.6730196,232.6301702,176.1999798,0,0,0,9.257930637,15.66330746,20.61910285,25.14665874,28.4400876,31.32514405,38.08399673,0,0,0,2.383731186,3.281128341,3.16674381,3.103728605,3.214956197,2.761841158,2.520313633,0,0,0,178.5759707,325.9763949,467.6806003,612.3295272,701.7080427,816.3225069,1048.216267,0,0,0,2.291819693,3.44131992,4.101593551,4.749472721,5.362668657,5.360376847,5.668557088,0,0,0,0.491332821,0.685107195,0.677217644,0.673208971,0.704029884,0.618437395,0.580460246,0,0,0,321.3448732,136.8794382,8.501594289,77.17499068,-32.87330918,-4.126655654,244.1698825,169.7527474,12.62824994,0.806345937,0.34346955,0.021332925,0.193654063,-0.082488509,-0.010354956,128.0623151,54.54917508,3.388054198,30.75576678,-13.1006667,-1.644554249,0.070743494,0.152415474,1.045413985,3.532633438,398.5198638,0,1,0,632.8157207,25.15582876,8.585371384,787.808298,28.06792294,9.235778675,1144.628059,33.83235226,10.46055665,1.205336143,1.130279003,377.0273319,351.6023906,165.6399639,1.072311628,2.276185788,2.122690576,3.76520142,3.407468915,6.414749876,0.882555655,4.46240887,8.231766662,5.906965811,15.50862866,10.29965386,11.01419978,10.78113986,4.037903089,2.325007599,2.970114203,2.028206728,0.483474158,1.33E-15,7.08E-52,7.26E-110,1.44E-189,5.48E-291,0,0,0,0,0,0,0,0,0,0,0,0,0,0.37449906,7.604071937,0.374132859,4.90674346,1.447299058,1.722067697,2.011191706,0.296769724,0.104165232,0.130396705,0.014284828,0.003405148,9.38E-18,4.99E-54,5.11E-112,1.01E-191,3.86E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928603,7.646016458,1.287148149,6.290668506,2.676710074,3.094464299,2.903326832,0.965516074,0.395842086,0.499259599,0.148858906,0.035484268,9.78E-17,5.20E-53,5.33E-111,1.05E-190,4.02E-292,0,0,0,0,0,0,0,0,0,0,0,0,0,4.21214996,8.162851532,5.491710909,14.58359912,9.553403349,10.25985306,9.926567884,3.775301559,2.13186478,2.721700341,1.807095682,0.430766771,1.19E-15,6.31E-52,6.47E-110,1.28E-189,4.88E-291,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738325,7.700399084,1.978144465,7.472331087,3.692146763,4.192254683,3.782383901,1.452766875,0.644064677,0.815058542,0.323341428,0.077076571,2.12E-16,1.13E-52,1.16E-110,2.29E-190,8.73E-292,0,0,0,0,0,0,0,0,0,0,0,0,0,5.38900497,8.521545326,7.531371899,19.24696228,13.29466876,14.01781502,14.30593935,5.048316872,3.105057162,3.974545735,2.95794889,0.705101622,1.94E-15,1.03E-51,1.06E-109,2.09E-189,7.99E-291,0,0,0,0,0,0,0,0,0,0,0,0,0,3.098895048,7.468678467,3.467618252,10.62215931,6.28454143,6.660692276,6.776015801,2.705573653,1.224809371,1.743819366,0.901425228,0.214877404,5.92E-16,3.15E-52,3.23E-110,6.38E-190,2.43E-291,0,0,0,0,0,0,0,0,0,0,0,0,0,3.088146884,1.301548416,1.074120384,0.565199681,0.238212358,0.501761876,0.49809714,0.43487141,5.463815685,8.734433889,18.51553971,0.347799522,1.434730426,2.277303537,0.770042348,0.564762198,0.630463841,0.21318364,0.274374958,0.168481892,0.117155092,3.612108083,3.474645924,8.077132385,0.445695762,0.560011942,2.586708104,0.972370343,0.761660496,0.59867262,0.225047233,0.352969959,0.272043964,0.215595223,4.320738943,5.226047703,11.46254426,0.39800893,0.840609145,3.066757241,1.287479848,1.060934305,0.566326902,0.237754219,0.494870868,0.486950936,0.424061149,5.415171394,8.567947645,18.17209947,0.349490353,1.405882953,2.729863222,1.066199387,0.851627673,0.587359109,0.229404139,0.392737255,0.329118515,0.27080369,4.647690282,6.14341046,13.26982993,0.381038663,0.99265946,3.155570444,1.345907845,1.115611794,0.561780281,0.239609446,0.523801938,0.534114472,0.469773342,5.617090083,9.269009285,19.62422205,0.342670421,1.527689752,3.081439624,1.290978343,1.063665605,0.5668492,0.237483167,0.499497237,0.489855851,0.42641306,5.436083572,8.628862421,18.29628416,0.3502738,1.415766148 +UMLS0263,L,"2-ethylbicyclo (2,2,1) heptane",CCC1CC2CCC1C2,137449,,UML,[1],C9H16,UML,,2.2,0,0.778,0.605284,25.9742,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,1010.869782,971.590877,834.439204,261.446976,24.385536,0,0,0,2914.106344,3917.940807,4660.986792,4455.056101,2885.323472,746.0098663,0,0,0,125.864664,130.65468,233.802932,273.291664,270.003456,161.243136,0,0,0,22.06875486,30.09593172,39.77228944,40.09567977,30.71853139,10.67070972,0,0,0,2979.777961,2598.236709,5175.763951,6343.393159,6575.886343,4438.023649,0,0,0,28.05555556,34.02777778,50.33333333,59.33333333,53,24,0,0,0,48.76541633,56.15943233,29.44214779,21.39587703,6.703768615,1.016064,0,0,0,161.8947969,217.6633782,141.242024,114.2322077,73.98265312,31.08374443,0,0,0,6.992481333,7.258593333,7.084937333,7.007478564,6.923165538,6.718464,0,0,0,1.226041937,1.671996207,1.205220892,1.028094353,0.787654651,0.444612905,0,0,0,165.54322,144.3464838,156.8413318,162.6511066,168.6124703,184.917652,0,0,0,1.558641975,1.890432099,1.525252525,1.521367521,1.358974359,1,0,0,0,0.023867144,-0.003060234,-0.006920873,-0.001898084,-0.014874291,0.01481991,0,0,0,484.264036,4.76E-13,-161.4213453,-121.066009,-282.4873543,322.8426907,0,0,0,900.5096538,2.98E-13,-300.1698846,-225.1274134,-525.297298,600.3397692,0,0,0,0.094864,1.36E-15,-0.031621333,-0.023716,-0.055337333,0.063242667,0,0,0,4.025697139,3.16E-15,-1.341899046,-1.006424285,-2.348323331,2.683798093,0,0,0,21.86765075,6.62E-14,-7.289216918,-5.466912688,-12.75612961,14.57843384,0,0,0,1.975308642,-0.87962963,0.245884774,-0.116255144,-1.233539095,0.995884774,0,0,0,0.001325952,-1.70E-04,-2.10E-04,-4.87E-05,-3.81E-04,6.17E-04,0,0,0,26.90355756,2.64E-14,-4.891555919,-3.104256641,-7.243265496,13.45177878,0,0,0,50.0283141,1.66E-14,-9.096057109,-5.77249778,-13.46916149,25.01415705,0,0,0,0.005270222,7.57E-17,-9.58E-04,-6.08E-04,-0.001418906,0.002635111,0,0,0,0.223649841,1.76E-16,-0.040663607,-0.025805751,-0.060213419,0.111824921,0,0,0,1.214869486,3.68E-15,-0.220885361,-0.140177248,-0.327080246,0.607434743,0,0,0,0.109739369,-0.048868313,0.007451054,-0.002980901,-0.031629208,0.041495199,0,0,0,-0.128219521,-0.158168133,-0.036704803,-0.287636319,0.465700149,0,0,0,9.83E-16,-0.181818182,-0.115384615,-0.269230769,0.5,0,0,0,3.31E-16,-0.181818182,-0.115384615,-0.269230769,0.5,0,0,0,1.44E-14,-0.181818182,-0.115384615,-0.269230769,0.5,0,0,0,7.86E-16,-0.181818182,-0.115384615,-0.269230769,0.5,0,0,0,3.03E-15,-0.181818182,-0.115384615,-0.269230769,0.5,0,0,0,-0.4453125,0.067897727,-0.027163462,-0.288221154,0.378125,0,0,0,1.544221896,1.160542382,1.065852204,1.159830913,0.004352738,0,0,0,1.416666667,1.287878788,1.08974359,1.08974359,0,0,0,0,1.416666667,1.287878788,1.08974359,1.08974359,0,0,0,0,1.416666667,1.287878788,1.08974359,1.08974359,0,0,0,0,1.416666667,1.287878788,1.08974359,1.08974359,0,0,0,0,1.416666667,1.287878788,1.08974359,1.08974359,0,0,0,0,1.95234375,0.753409091,1.170793269,1.213701923,0,0,0,0,19.21766938,9.608834689,14.63215581,19.21766938,3.202944896,9.60899955,5.33E-15,0.04957236,0.00826206,-1.802593111,18.40949036,3.068248393,1.747719787,19.21766938,9.608834689,14.63215581,19.21766938,3.202944896,9.60899955,5.33E-15,0.04957236,0.00826206,-1.802593111,18.40949036,3.068248393,1.747719787,19.21766938,9.608834689,14.63215581,19.21766938,3.202944896,9.60899955,5.33E-15,0.04957236,0.00826206,-1.802593111,18.40949036,3.068248393,1.747719787,19.21766938,9.608834689,14.63215581,19.21766938,3.202944896,9.60899955,5.33E-15,0.04957236,0.00826206,-1.802593111,18.40949036,3.068248393,1.747719787,19.21766938,9.608834689,14.63215581,19.21766938,3.202944896,9.60899955,5.33E-15,0.04957236,0.00826206,-1.802593111,18.40949036,3.068248393,1.747719787,19.21766938,9.608834689,14.63215581,19.21766938,3.202944896,9.60899955,5.33E-15,0.04957236,0.00826206,-1.802593111,18.40949036,3.068248393,1.747719787,23.64482974,11.73445191,18.50464088,23.52754579,3.921257631,11.73446945,-0.175925926,0.008196867,0.001366145,-2.882401941,17.68608864,2.94768144,1.723667027,0,11.9,12.1000824,-0.149496681,0.050584937,5.658,7.448507797,6,18,18,18,6,0,0,0,0,0,13.118484,3.7156966,3.037256812,2.333552793,1.523442349,1.456797487,0.833415856,0.083923071,0.083923071,1.808218888,1.372874417,1.249629723,1.168656233,0.51730546,0.279938754,0.083923071,0.083923071,3.737109992,3.076703622,2.405454588,1.608684647,1.556142907,0.96251859,0.270913902,0.270913902,1.744803776,1.285229005,1.134540686,1.074178488,0.368916515,0.113462465,0.270913902,0.270913902,3.831777536,3.249623253,2.704236987,1.966616184,1.9628467,1.471477322,0.943918427,0.943918427,1.561195271,1.018928274,0.783924598,0.76031856,0.133490987,0.467808294,0.943918427,0.943918427,3.752907392,3.105767052,2.457539916,1.670775497,1.62787375,1.054525846,0.399277246,0.399277246,1.70463922,1.228596505,1.058262671,1.012854847,0.269074306,2.98E-04,0.399277246,0.399277246,3.878291977,3.332899355,2.838982085,2.141548494,2.128156859,1.686325086,1.207644823,1.207644823,1.505154632,0.933903671,0.690336856,0.631337262,0.314375752,0.686021752,1.207644823,1.207644823,3.715861511,3.205371073,2.690669079,1.745700724,1.731508339,1.183845779,0.620689655,0.620689655,1.652298882,1.179784201,0.935388799,0.828600113,0.123995515,0.171248937,0.620689655,0.620689655,0,0,0,0,0,2,2,2,0,0.288675135,0.166666667,0,0,0,0.288675135,0.166666667,0,0,0,0.5,0,0.166666667,0,0.5,0,0.166666667,0,0.804737854,0.333333333,0,0.804737854,0.333333333,0,4.568914101,2.804530453,2.58144686,1.276142375,0.666666667,0,0,0,0.761485683,0.467421742,0.322680858,0.212690396,0.166666667,0,0,0,4.568914101,2.804530453,2.58144686,1.276142375,0.666666667,0,0,0,0.761485683,0.467421742,0.322680858,0.212690396,0.166666667,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.0524,27.562,12.74882884,19.44587626,25.49765768,4.249609614,12.74883489,0.169657342,0.028276224,-1.064384707,100.3505316,16.72508859,2.765201623,30,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,4.606481481,0,2.99537037,0,0,0,2.064814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.303240741,0,1.497685185,0,0,0,0.962962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.303240741,0,1.497685185,0,0,0,1.101851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.666666667,1.611111111,0.2,2.303240741,0.2,0.962962963,4.311314815,0.37037037,0.303240741,1.212962963,0.37037037,0.303240741,1.212962963,3,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.33333,0.33333,0,3,0.5,3,0.5,0,0,-3,-0.5,0,0,5.23292,0.87215,5.23292,0,0,2.80452,0.46742,2.80452,0,0,0.10948,0.01825,0.19548,0.03258,0.166666667,6,0,0,0,0,0,0,1,0.918295834,1.446616668,2.530493057,2.488554862,2.179846698,1.946616668,16.52932501,26.03910002,45.54887502,44.79398752,39.23724057,35.03910002,0.220218789,0.346916711,0.606843782,0.59678648,0.522754413,0.466822945,3.251629167,2.723308334,1.639431945,1.681370139,1.990078303,2.223308334,0.220218789,0.346916711,0.606843782,0.59678648,0.522754413,0.466822945,6.73287657,13.07272657,15.3864371,13.66182599,12.48657219,9.705042395,23.69925001,17.35940001,17.03625834,18.9335014,15.71281161,13.78354306,4.166666667,1.25,0.979591837,3,0,3,2.12,0.8454,0.5,1.333333333,2.828427125,0,1,2.828427125,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,2.668,8,6,4,0,0,0,0,0,0,30,1.945910149,2.197224577,1.945910149,1.609437912,0,0,0,0,0,0,3.433987204,1,0.333333333,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,3,0.5,0,2,3,0.5,1.5,0.5,0.444444444,0,0,0,0,0,0,0,0.25,0.1,0.111111111,0,0,0,0,0,0,0,0.461111111,9.608834689,14.63215581,19.21766938,3.202944896,9.60899955,0.04957236,0.00826206,-1.802593111,18.40949036,3.068248393,1.747719787,0,99.97590776,3.584962501,3.36729583,4.143134726,4.96284463,5.771441123,6.597145702,7.41397029,8.240385116,9.060098709,9.885985277,71.4423014,2.564949357,1.945910149,3.80666249,3.713572067,5.262690189,5.476463552,6.803505258,7.21303166,8.383204551,8.877242436,84.09390038,4.671883355,10.97733173,1.829555289,0,0,0,28,4,3.292,28,1.226604052,2.134431626,2.923519758,3.579691779,4.274613331,0,0,0,0,0,79.88561468,70.93754203,70.4506691,25.68346861,4.343280719,0,0,0,0,0,292.6884283,324.8571177,356.1187606,277.5518972,132.8709883,0,0,0,0,0,8.938619184,15.17638133,20.53509644,24.84347977,28.71883578,0,0,0,0,0,2.190327287,2.715999526,3.139669099,2.921250971,1.90054825,0,0,0,0,0,174.8645277,330.863259,472.043119,598.7472229,790.4514604,0,0,0,0,0,2.365714976,3.355669451,4.557550782,4.975760114,4.274613331,0,0,0,0,0,0.453088529,0.573674792,0.669987857,0.640075951,0.437720405,0,0,0,0,0,271.1278236,82.79168535,6.836209308,71.57713072,-21.85681723,-4.003411424,199.5506929,104.6485026,10.83962073,0.79114066,0.241582984,0.019947798,0.20885934,-0.06377736,-0.011681802,92.91684839,28.37312074,2.342802798,24.52983731,-7.490439549,-1.371988929,0.098615235,0.204074639,1.500920833,5.718324112,342.7049543,0,1,0,397.4356378,19.93578787,7.352283911,516.1183884,22.71823911,8.021392683,562.7964415,23.72333116,8.256267983,1.3355028,1.125394968,234.8195163,186.4779709,84.78546997,1.259234617,2.769572621,2.199409533,3.401612534,3.242012762,5.394222,0.663849712,4.338827912,4.879453275,3.618088502,11.81630614,8.35587959,6.232079368,7.026075721,7.123200782,2.028627387,0.36684258,1.16E-16,7.89E-54,1.04E-112,2.63E-193,1.29E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.364127799,4.878185191,0.134071992,5.0715052,0.59659274,1.49367262,0.222031328,0.406037993,0.014287789,0.002583702,8.14E-19,5.55E-56,7.31E-115,1.86E-195,9.09E-298,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.175448829,4.878270225,0.544534646,6.051287855,1.23220194,2.25832221,0.954527435,1.437098169,0.148889773,0.02692417,8.48E-18,5.79E-55,7.62E-114,1.93E-194,9.47E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.095499619,4.879314156,3.298422024,11.26295765,7.545410425,5.870338397,6.377340551,6.591680357,1.80747048,0.326850134,1.03E-16,7.03E-54,9.25E-113,2.35E-193,1.15E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.732395282,4.878380206,0.915588265,6.84174803,1.950075856,2.843374512,1.65224826,2.245858309,0.323408483,0.058482895,1.84E-17,1.26E-54,1.65E-113,4.20E-194,2.06E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.239763057,4.880038184,4.922453231,14.02456175,11.73756174,7.652806895,9.691691687,9.227773892,2.95856239,0.535005426,1.69E-16,1.15E-53,1.51E-112,3.84E-193,1.88E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.781125589,4.245984704,1.639012503,8.689476831,3.773478232,3.92598444,3.214124732,3.97380405,0.78154016,0.141328176,4.45E-17,3.04E-54,4.00E-113,1.02E-193,4.97E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.597611732,1.363432701,0.639834843,0.564590283,0.296341768,0.618213295,0.571572557,0.427021987,4.600879276,6.076083021,12.94304538,0.346885425,1.61680784,2.015238578,0.792399481,0.216612049,0.666359761,0.262015195,0.372192608,0.194847841,0.048796504,3.024250108,2.205042237,5.575194495,0.499539641,0.615836952,2.246507464,1.019098201,0.384830373,0.615407979,0.279171636,0.462457994,0.320933089,0.154303297,3.650436038,3.546115961,8.077587164,0.423111968,0.93769438,2.583190735,1.349287211,0.629368434,0.566259913,0.295776556,0.611371339,0.559876162,0.413158616,4.56184638,5.960443707,12.7159325,0.34938987,1.584406117,2.349606709,1.120193393,0.459752778,0.59793233,0.285068919,0.505853458,0.387139694,0.220343173,3.92955288,4.227264148,9.366892735,0.396898495,1.113336325,2.642761016,1.407720402,0.672599433,0.559541769,0.298051303,0.639880429,0.608966433,0.471895744,4.723080852,6.444620107,13.66995151,0.339312654,1.720742606,2.588082257,1.356011741,0.630628785,0.56573532,0.29641397,0.613673275,0.565290813,0.414803251,4.574722783,5.996729134,12.78462467,0.34860298,1.593767339 +UMLS0264,L,iso-propylcyclopropane,CC(C)C1CC1,137995,,UML,[1],C6H12,PubChem,,11.92,0,1.3688,1.87361344,26.9146,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,1010.869782,1213.722895,681.035378,178.815168,18.289152,0,0,0,2914.106344,3917.940807,5111.241618,4674.02425,2402.602963,559.5073998,0,0,0,125.864664,130.65468,233.850364,276.437576,307.120896,120.932352,0,0,0,22.06875486,30.09593172,41.78513801,43.43428244,28.03475758,8.003032287,0,0,0,2979.777961,2598.236709,5186.697776,6078.098499,7939.753089,3328.517736,0,0,0,29.59027778,35.54166667,52.25,66.25,57,18,0,0,0,48.76541633,56.15943233,36.77948167,17.46244559,3.9736704,1.016064,0,0,0,161.8947969,217.6633782,154.8861097,119.8467756,53.39117695,31.08374443,0,0,0,6.992481333,7.258593333,7.086374667,7.088142974,6.8249088,6.718464,0,0,0,1.226041937,1.671996207,1.266216303,1.11369955,0.622994613,0.444612905,0,0,0,165.54322,144.3464838,157.1726599,155.8486795,176.4389575,184.917652,0,0,0,1.643904321,1.974537037,1.583333333,1.698717949,1.266666667,1,0,0,0,0.022750609,-0.005780765,0.008606645,-0.027773834,0.003731237,0.009841413,0,0,0,484.264036,4.62E-13,80.71067267,-686.0407177,121.066009,242.132018,0,0,0,900.5096538,2.98E-13,150.0849423,-1275.722009,225.1274134,450.2548269,0,0,0,0.094864,1.35E-15,0.015810667,-0.134390667,0.023716,0.047432,0,0,0,4.025697139,3.05E-15,0.670949523,-5.703070947,1.006424285,2.01284857,0,0,0,21.86765075,6.53E-14,3.644608459,-30.9791719,5.466912688,10.93382538,0,0,0,2.497299383,-1.570601852,1.523083848,-1.721000514,-0.406442901,0.926311728,0,0,0,0.001263923,-3.21E-04,2.61E-04,-7.12E-04,8.29E-05,5.47E-04,0,0,0,26.90355756,2.57E-14,2.44577796,-17.59078763,2.690355756,13.45177878,0,0,0,50.0283141,1.66E-14,4.548028554,-32.71082076,5.00283141,25.01415705,0,0,0,0.005270222,7.53E-17,4.79E-04,-0.003445915,5.27E-04,0.002635111,0,0,0,0.223649841,1.70E-16,0.020331804,-0.146232588,0.022364984,0.111824921,0,0,0,1.214869486,3.63E-15,0.110442681,-0.794337741,0.121486949,0.607434743,0,0,0,0.138738855,-0.087255658,0.046154056,-0.044128218,-0.009032064,0.051461763,0,0,0,-0.254092774,0.206347593,-0.563443916,0.065602406,0.43257799,0,0,0,9.54E-16,0.090909091,-0.653846154,0.1,0.5,0,0,0,3.31E-16,0.090909091,-0.653846154,0.1,0.5,0,0,0,1.43E-14,0.090909091,-0.653846154,0.1,0.5,0,0,0,7.58E-16,0.090909091,-0.653846154,0.1,0.5,0,0,0,2.99E-15,0.090909091,-0.653846154,0.1,0.5,0,0,0,-0.62892013,0.332668567,-0.318066763,-0.06510119,0.370925382,0,0,0,1.671018496,0.747733897,1.700192337,0.709745156,2.31E-05,0,0,0,1.416666667,1.03030303,1.743589744,0.566666667,0,0,0,0,1.416666667,1.03030303,1.743589744,0.566666667,0,0,0,0,1.416666667,1.03030303,1.743589744,0.566666667,0,0,0,0,1.416666667,1.03030303,1.743589744,0.566666667,0,0,0,0,1.416666667,1.03030303,1.743589744,0.566666667,0,0,0,0,2.132550595,0.471300367,1.492745012,0.90764715,0,0,0,0,17.98180061,8.990900306,12.8721956,17.98180061,2.996966769,8.991194846,-5.33E-15,0.031682058,0.005280343,-2.07120285,25.7155642,4.285927367,1.948257852,17.98180061,8.990900306,12.8721956,17.98180061,2.996966769,8.991194846,-5.33E-15,0.031682058,0.005280343,-2.07120285,25.7155642,4.285927367,1.948257852,17.98180061,8.990900306,12.8721956,17.98180061,2.996966769,8.991194846,-5.33E-15,0.031682058,0.005280343,-2.07120285,25.7155642,4.285927367,1.948257852,17.98180061,8.990900306,12.8721956,17.98180061,2.996966769,8.991194846,-5.33E-15,0.031682058,0.005280343,-2.07120285,25.7155642,4.285927367,1.948257852,17.98180061,8.990900306,12.8721956,17.98180061,2.996966769,8.991194846,-5.33E-15,0.031682058,0.005280343,-2.07120285,25.7155642,4.285927367,1.948257852,17.98180061,8.990900306,12.8721956,17.98180061,2.996966769,8.991194846,-5.33E-15,0.031682058,0.005280343,-2.07120285,25.7155642,4.285927367,1.948257852,23.64908015,11.70150767,17.27490589,23.48503694,3.914172823,11.70152391,-0.246064815,0.034753161,0.005792193,-2.015690848,20.24436946,3.374061576,1.804726022,0,11.89,12.11007471,-0.156650529,0.065136956,5.562241965,7.889764184,6,18,18,18,6,0,0,0,0,0,13.118484,3.787871835,2.711421023,2.333552793,2.21790976,1.138484544,0.419596015,0.083923071,0.083923071,1.725856227,1.570693476,1.249629723,1.087616311,0.55542488,0.083923071,0.083923071,0.083923071,3.805510431,2.763730034,2.405454588,2.287719262,1.246996656,0.52813238,0.270913902,0.270913902,1.660140259,1.490236167,1.134540686,0.974463757,0.423592973,0.270913902,0.270913902,0.270913902,3.884839416,2.989486311,2.704236987,2.580526588,1.687411127,0.961732243,0.943918427,0.943918427,1.472740212,1.250428726,0.76031856,0.609071846,0.003918807,0.943918427,0.943918427,0.943918427,3.818593832,2.802102969,2.457539916,2.338469307,1.32513824,0.606126464,0.399277246,0.399277246,1.6187271,1.438638434,1.058262671,0.899650014,0.336306281,0.399277246,0.399277246,0.399277246,3.924647126,3.095763922,2.838982085,2.7136364,1.878873338,1.207644823,1.207644823,1.207644823,1.416794487,1.175390724,0.631337262,0.48427386,0.150930821,1.143186756,1.207644823,1.207644823,3.756251834,2.945232688,2.649980131,2.449940335,1.39728139,0.642938213,0.595041322,0.595041322,1.576807405,1.380708006,0.864856164,0.785437857,0.258608548,0.595041322,0.595041322,0.595041322,0,0,0,0,0,3,1,1,1,0.204124145,0.612372436,0.40824829,0,0,0.204124145,0.612372436,0.40824829,0,0,1.254600961,0.204124145,0.204124145,0,1.254600961,0.204124145,0.204124145,0,1.513420006,0.40824829,0,1.513420006,0.40824829,0,4.78445705,2.627827085,3.093752911,1.802095141,0.40824829,0,0,0,0.797409508,0.437971181,0.309375291,0.225261893,0.204124145,0,0,0,4.78445705,2.627827085,3.093752911,1.802095141,0.40824829,0,0,0,0.797409508,0.437971181,0.309375291,0.225261893,0.204124145,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.0524,27.562,12.59174823,18.78980887,25.18349647,4.197249411,12.59175537,0.086070627,0.014345104,-1.471552248,20.78794116,3.46465686,1.82062384,27,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,6.939814815,0,1.4375,0,0,0,0.997685185,0,0,0,0,0,0.708333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.305555556,0,1.4375,0,0,0,0.997685185,0,0,0,0,0,0.708333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.31712963,0,1.4375,0,0,0,0.997685185,0,0,0,0,0,0.708333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.08333333,1.680555556,0.2,2.31712963,0,0.708333333,4.28843287,0.541666667,0.31712963,1.87962963,0.541666667,0.31712963,1.87962963,3,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.5,0.16667,0.16667,3,0.5,3,0.5,0,0,-3,-0.5,0,0,5.68249,0.94708,5.68249,0,0,2.62782,0.43797,2.62782,0,0,0.28618,0.0477,0.37218,0.06203,0.166666667,6,0,0,0,0,0,0,1,0.918295834,1.515789584,2.362740278,2.821888196,2.821888196,2.126900695,16.52932501,27.28421252,42.52932501,50.79398752,50.79398752,38.28421252,0.220218789,0.363505239,0.566614574,0.676723969,0.676723969,0.510057302,3.251629167,2.654135417,1.807184723,1.348036806,1.348036806,2.043024306,0.220218789,0.363505239,0.566614574,0.676723969,0.676723969,0.510057302,6.73287657,13.90280157,16.43872443,16.90146519,16.90146519,8.56161519,23.69925001,16.60451251,15.22255695,15.1849632,15.1849632,11.0150382,4.166666667,0.8,0.592592593,0,0,0,2.12,0.8454,1.144714243,1.5,1.889881575,2.381101578,0,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.14,0.131,0.159,0.212,2.484,10,8,2,0,0,0,0,0,0,32,1.945910149,2.397895273,2.197224577,1.098612289,0,0,0,0,0,0,3.496507561,1,0.333333333,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,0,2,3,0.5,3,1.944444444,0,0,0,0,0,0,0,0,0.5,0.277777778,0,0,0,0,0,0,0,0,0.777777778,8.990900306,12.8721956,17.98180061,2.996966769,8.991194846,0.031682058,0.005280343,-2.07120285,25.7155642,4.285927367,1.948257852,0,99.97590776,3.584962501,3.496507561,4.317488114,5.241747015,6.107022888,7.018401799,7.899153483,8.80282316,9.690108671,10.58963529,75.16288799,2.564949357,1.945910149,3.970291914,4.110873864,5.579729826,6.075346031,7.275864601,7.9490915,9.013473544,9.497247144,84.09390038,4.671883355,10.9411229,1.823520484,0,0,0,26,2,3.329,32,1.227270719,2.132126498,2.998583073,3.522208133,4.010349243,0,0,0,0,0,79.58531966,90.33643719,54.81600837,14.45605523,4.074771493,0,0,0,0,0,292.044432,363.4859746,367.1093659,191.5240449,124.6566709,0,0,0,0,0,8.942377543,15.18121685,21.27487459,24.05530336,26.94338701,0,0,0,0,0,2.187160487,2.900259519,3.388982995,2.222058258,1.783053026,0,0,0,0,0,175.0280419,329.9690229,465.8082944,620.1361416,741.5843657,0,0,0,0,0,2.456664821,3.544177057,5.159572098,4.502935101,4.010349243,0,0,0,0,0,0.452496029,0.60809118,0.726182104,0.495622144,0.410659762,0,0,0,0,0,276.5698475,81.81386352,6.752373612,54.40616702,-16.09422995,-3.028105368,222.1636804,97.90809347,9.78047898,0.835619004,0.247189705,0.020401399,0.164380996,-0.048626575,-0.009149018,91.53798584,27.07842648,2.234873706,18.00713633,-5.326804086,-1.002230246,0.10258411,0.209288417,1.738337901,4.528304884,330.9760145,0,1,0,400.9318477,20.02328264,7.373780154,518.6392712,22.773653,8.034431137,587.850167,24.2456216,8.37700707,1.081726439,1.033426501,190.9304406,162.5545612,97.78454798,1.174562185,1.952562491,1.662374727,3.289236329,3.225180717,5.345668371,0.657478709,3.94201942,4.98118907,2.9560867,12.20604618,5.499414529,15.80064042,7.557689585,2.644894264,1.577249191,0.092381811,2.54E-19,1.35E-58,1.39E-119,2.74E-202,1.04E-306,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.330826411,4.980432059,0.169776767,6.842738047,0.248297288,0.641589261,0.131298028,0.132620635,0.011108697,6.51E-04,1.79E-21,9.52E-61,9.76E-122,1.93E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.067947892,4.980483011,0.599658884,7.751806572,0.889084772,2.521817974,0.733380092,0.48698887,0.115761171,0.006780302,1.87E-20,9.92E-60,1.02E-120,2.01E-203,7.66E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.720944772,4.981106087,2.736385623,11.81201485,5.025443957,14.44312109,6.779778064,2.435043718,1.405300634,0.082310531,2.27E-19,1.20E-58,1.23E-119,2.44E-202,9.31E-307,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.57395868,4.980548741,0.935990822,8.4309909,1.456961124,4.173014639,1.418017515,0.777295781,0.251448728,0.014727723,4.06E-20,2.16E-59,2.21E-120,4.37E-203,1.66E-307,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.760559336,4.98153792,3.825318854,13.73955681,7.427467584,21.31458062,10.8049982,3.485518034,2.300269707,0.13473019,3.71E-19,1.97E-58,2.02E-119,4.00E-202,1.52E-306,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.509865708,4.019632196,1.260275101,9.776396917,2.6637504,7.632620139,2.988233032,1.461485908,0.558463214,0.032710014,9.01E-20,4.79E-59,4.91E-120,9.70E-203,3.70E-307,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.239816301,1.293368563,0.844799607,0.51160901,0.295425571,0.476761937,0.489811589,0.456432465,4.377984471,5.881741176,12.70703238,0.267413515,1.423005991,1.520219693,0.755798687,0.412993585,0.565345083,0.281069291,0.222536223,0.172730134,0.111015219,2.689011964,2.088961037,5.25249439,0.348017625,0.506281576,1.804342372,0.970421388,0.585053262,0.537035904,0.288831618,0.310929883,0.280978624,0.221605317,3.359817022,3.374357018,7.758586171,0.305553856,0.813513824,2.221850084,1.280164151,0.834156036,0.512399178,0.295229216,0.469180542,0.480207561,0.445238033,4.336170271,5.765559138,12.4743468,0.268598767,1.394626137,1.931759896,1.065587459,0.661475092,0.527973118,0.291237816,0.355606743,0.336840084,0.282329011,3.658822446,4.041129734,9.061571614,0.291959677,0.974775838,2.296103382,1.33467892,0.878111267,0.509238763,0.296010296,0.500930477,0.520440053,0.492326998,4.508893569,6.25279163,13.45271055,0.263858144,1.513697528,2.232505276,1.283295146,0.834919865,0.513134637,0.294961538,0.473662019,0.482223058,0.445339229,4.350720287,5.800374798,12.54310976,0.269701956,1.401224305 +UMLS0265,L,"1,1,2-trimethylcyclopropane",CC1CC1(C)C,138125,,UML,[1],C6H12,PubChem,,13.7,0,1.659,2.752281,26.7866,17.22793,0,0,16,6,10,0,6,0,0,0,0,0,0,0,0,0,875.745366,842.391485,897.932285,683.062635,408.754418,97.872768,6.096384,0,0,2851.938855,3264.950672,3941.483349,3813.952988,2479.852856,948.9766754,186.5024666,0,0,112.427736,108.8789,184.378676,218.7219,226.54676,63.65952,40.310784,0,0,21.17952905,25.0799431,32.64641067,34.19448944,24.71225129,9.352967385,2.667677429,0,0,2609.942657,2165.197258,4072.111013,4922.175239,5731.67509,1409.898034,1109.505912,0,0,44.27777778,41.41666667,50,64.33333333,59.33333333,29,6,0,0,54.73408538,56.15943233,34.53585712,22.03427855,12.38649752,10.874752,1.016064,0,0,178.2461784,217.6633782,151.5955134,123.0307416,75.14705625,105.4418528,31.08374443,0,0,7.0267335,7.258593333,7.091487538,7.055545161,6.865053333,7.07328,6.718464,0,0,1.323720566,1.671996207,1.25563118,1.103048046,0.7488561,1.039218598,0.444612905,0,0,163.121416,144.3464838,156.6196543,158.7798464,173.687124,156.6553371,184.917652,0,0,2.767361111,2.761111111,1.923076923,2.075268817,1.797979798,3.222222222,1,0,0,0.057235647,-0.008054881,-0.023135133,-0.004415771,0.017955963,-0.028209343,0.017241343,0,0,453.9975338,-47.29140977,-41.61644059,-289.4234278,259.1569255,-209.9738594,102.1494451,0,0,844.2278004,-87.94039587,-77.38754837,-538.1952228,481.9133694,-390.4553577,189.9512551,0,0,0.088935,-0.009264062,-0.008152375,-0.056696062,0.050767062,-0.041132437,0.020010375,0,0,3.774091068,-0.393134486,-0.345958348,-2.405983056,2.154376985,-1.745517119,0.84917049,0,0,20.50092258,-2.135512769,-1.879251237,-13.06933815,11.70260997,-9.481676694,4.612707581,0,0,10.25,-0.085069444,0.295138889,-2.932291667,3.612847222,-7.276041667,1.260416667,0,0,0.003577228,-5.37E-04,-8.90E-04,-1.42E-04,5.44E-04,-0.003134371,0.002873557,0,0,28.37484586,-3.152760651,-1.600632331,-9.336239605,7.853240167,-23.33042882,17.02490752,0,0,52.76423752,-5.862693058,-2.976444168,-17.36113622,14.60343544,-43.38392863,31.65854251,0,0,0.005558437,-6.18E-04,-3.14E-04,-0.001828905,0.001538396,-0.004570271,0.003335062,0,0,0.235880692,-0.026208966,-0.01330609,-0.077612357,0.065284151,-0.193946347,0.141528415,0,0,1.281307661,-0.142367518,-0.072278894,-0.421591553,0.354624545,-1.053519633,0.768784597,0,0,0.640625,-0.005671296,0.011351496,-0.094590054,0.109480219,-0.808449074,0.210069444,0,0,-0.150114029,-0.248743674,-0.039819725,0.152106632,-0.87620122,0.803291596,0,0,-0.111111111,-0.056410256,-0.329032258,0.276767677,-0.822222222,0.6,0,0,-0.111111111,-0.056410256,-0.329032258,0.276767677,-0.822222222,0.6,0,0,-0.111111111,-0.056410256,-0.329032258,0.276767677,-0.822222222,0.6,0,0,-0.111111111,-0.056410256,-0.329032258,0.276767677,-0.822222222,0.6,0,0,-0.111111111,-0.056410256,-0.329032258,0.276767677,-0.822222222,0.6,0,0,-0.008852755,0.017719408,-0.147652767,0.170895951,-1.261969286,0.327913279,0,0,1.101377145,0.897371575,0.760036449,0.683178054,2.908512493,1.310843955,0,0,1.333333333,1.076923077,1.290322581,0.484848485,1.777777778,0,0,0,1.333333333,1.076923077,1.290322581,0.484848485,1.777777778,0,0,0,1.333333333,1.076923077,1.290322581,0.484848485,1.777777778,0,0,0,1.333333333,1.076923077,1.290322581,0.484848485,1.777777778,0,0,0,1.333333333,1.076923077,1.290322581,0.484848485,1.777777778,0,0,0,0.964769648,0.506566604,0.93495935,0.678738606,4.552845528,0,0,0,19.64849059,9.824245295,15.53145004,19.64849059,3.274748432,9.824393749,3.55E-15,0.046825054,0.007804176,-1.83680213,17.00872749,2.834787916,1.700235957,19.64849059,9.824245295,15.53145004,19.64849059,3.274748432,9.824393749,3.55E-15,0.046825054,0.007804176,-1.83680213,17.00872749,2.834787916,1.700235957,19.64849059,9.824245295,15.53145004,19.64849059,3.274748432,9.824393749,3.55E-15,0.046825054,0.007804176,-1.83680213,17.00872749,2.834787916,1.700235957,19.64849059,9.824245295,15.53145004,19.64849059,3.274748432,9.824393749,3.55E-15,0.046825054,0.007804176,-1.83680213,17.00872749,2.834787916,1.700235957,19.64849059,9.824245295,15.53145004,19.64849059,3.274748432,9.824393749,3.55E-15,0.046825054,0.007804176,-1.83680213,17.00872749,2.834787916,1.700235957,19.64849059,9.824245295,15.53145004,19.64849059,3.274748432,9.824393749,3.55E-15,0.046825054,0.007804176,-1.83680213,17.00872749,2.834787916,1.700235957,36.49963306,17.73302558,28.78100174,36.22802812,6.038004687,17.73302563,-0.814814815,0.12303827,0.020506378,-1.257155902,14.07418076,2.345696794,1.58660518,0,11.69,12.31002606,-0.42285067,0.197336575,4.323730425,7.198629644,5,15,14,14,4,0,0,1,0,1,10.93207,3.497540078,3.01814463,2.333552793,2.034921144,1.023904231,0.309000579,0.083923071,0.083923071,1.861568126,1.417733911,1.249629723,0.880683858,0.387832486,0.083923071,0.083923071,0.083923071,3.519327466,3.04342438,2.405454588,2.099055063,1.141013959,0.44366576,0.270913902,0.270913902,1.80376187,1.355185052,1.134540686,0.772792774,0.231091325,0.270913902,0.270913902,0.270913902,3.620445137,3.156865262,2.704236987,2.371499709,1.609905187,0.956385785,0.943918427,0.943918427,1.641606742,1.180027673,0.76031856,0.423417928,0.305624972,0.943918427,0.943918427,0.943918427,3.535672755,3.062160821,2.457539916,2.145914642,1.224938352,0.538737657,0.399277246,0.399277246,1.767574606,1.316183035,1.058262671,0.701341436,0.125216168,0.399277246,0.399277246,0.399277246,3.67259129,3.213720564,2.838982085,2.496512312,1.81098658,1.207644823,1.207644823,1.207644823,1.59403562,1.12773369,0.631337262,0.304310695,0.501590355,1.161258196,1.207644823,1.207644823,3.650524763,3.137105029,2.421603847,2.14327559,1.162321662,0.618458619,0.45,0.45,1.91089097,1.221084426,1.071603847,0.530673805,0.149036462,0.45,0.45,0.45,1,1,0,0,0,2,1,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.288675135,0,0.204124145,0.11785113,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.36180732,2.205177354,1.802095141,0.526099421,0.23570226,0,0,0,0.726967887,0.441035471,0.360419028,0.175366474,0.11785113,0,0,0,8.709139019,15.43918427,14.62745098,14.8,9.992772455,121.8839701,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,1.74529,27.643,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,1,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,2,0,1,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.573194444,0,0,7.546574074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.573194444,0,0,0,0,1.169861111,0.380555556,0,0,0,0,0,0,0,0,0,0,4.221944444,0,0.902777778,4.979444444,0,0,0.662037037,0,2.56712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.573194444,0,0,2.56712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.573194444,0,0,0,0,0.25125,0.380555556,0,0,0,0,0,0,0,0,0,0,2.110972222,0,0.902777778,4.979444444,0,0,0.662037037,0,2.56712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.573194444,0,0,4.979444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.573194444,0,0,0,0,0.380555556,0.380555556,0,0,0,0,0,0,0,0,0,0,2.110972222,0,0.902777778,4.979444444,0,0,0.662037037,0,2.56712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,2.222222222,0.573194444,4.979444444,0.25125,0.662037037,3.4737475,0.671296296,0.979444444,2.537037037,0.671296296,0.979444444,2.537037037,3,0.5,0,0,0.45,0.7,0.42,0.42,0.7,0.03,0.03,0,0,0.71429,0,0,0.5,0.16667,0,4.5,0.75,2.5,0.41667,2,0.33333,-0.5,-0.08333,0,0,4.09911,0.68318,5.69868,1.59958,0.2666,2.0342,0.33903,2.77005,0.73585,0.12264,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,1,0.954434003,2.091917187,2.780639062,2.780639062,2.530639062,1.655639062,15.27094405,33.47067499,44.490225,44.490225,40.490225,26.490225,0.238608501,0.522979297,0.695159766,0.695159766,0.632659766,0.413909766,3.045565997,1.908082813,1.219360938,1.219360938,1.469360938,2.344360938,0.233502796,0.511788674,0.680284854,0.680284854,0.619122218,0.405052994,6.794779896,17.22252709,17.91663823,17.91663823,14.91663823,8.538703846,23.34095565,14.95225468,14.93383437,14.93383437,13.43383437,9.683834373,6,3.2,5.333333333,6,2,5,2.12,0.868,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.085,0.124,0.116,0.197,0.169,2.052,5,3,2,0,0,0,0,0,0,21,2.079441542,2.079441542,1.791759469,1.945910149,0,0,0,0,0,0,3.465735903,1.476190476,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,3,0.6,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,107.0594491,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,82.07825032,5.129890645,10.67917749,1.779862916,0,0,0,32,3,2.558,20,1.223866667,2.140575665,2.961825941,3.554686153,4.741193807,5.532706822,0,0,0,0,78.70217119,84.43967998,71.46778123,51.09951231,51.89816565,5.621584225,0,0,0,0,289.6867102,353.9361094,382.6826298,289.6969322,502.4760662,171.9772449,0,0,0,0,8.915454676,15.24418693,20.94100632,24.46387148,33.54798692,37.17129161,0,0,0,0,2.172696703,2.865619215,3.380360275,2.806975336,4.947574327,2.459912852,0,0,0,0,174.6745342,330.6658957,467.1015941,612.8921019,741.7618932,1023.095155,0,0,0,0,3.422677778,4.350993529,6.358898161,6.760310194,15.143647,5.532706822,0,0,0,0,0.4496245,0.602174762,0.720496131,0.610540987,1.069602956,0.566549179,0,0,0,0,317.4992692,122.3116179,11.14947091,154.7588138,-59.61840777,-11.6310209,162.7404554,181.9300257,22.78049181,0.672300339,0.25899317,0.023608851,0.327699661,-0.126241159,-0.024628527,149.9415963,57.76265019,5.26542776,73.08610076,-28.15527497,-5.492843635,0.320116043,0.31056577,9.616843432,12.84344017,472.2580831,0,1,0,350.9132128,18.73267767,7.053422632,448.1966975,21.17065652,7.652844415,520.6605181,22.81798672,8.0448549,1.629441974,1.615509492,280.9804857,236.688441,67.00383368,1.187132267,4.193498644,3.532461175,3.549479428,3.772,6.524719861,0.72977727,2.966134429,3.759779054,1.9328391,8.640649339,2.500600486,3.871684683,2.266497337,4.807023719,1.120459874,2.449234454,1.014218265,1.881471677,3.09E-10,9.82E-42,6.01E-95,7.09E-170,1.61E-266,0,0,0,0,0,0,0,0,0,0,0,0,0,0.259160954,3.759607105,0.127996529,3.974578645,0.333238063,1.228998946,0.062478333,0.265179548,0.628050104,0.169915975,0.080280517,0.013251359,2.18E-12,6.92E-44,4.23E-97,4.99E-172,1.14E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0.811711951,3.759618956,0.435732487,4.651193541,0.520717091,1.611957745,0.27075464,0.947122585,0.728561436,0.571987961,0.262341737,0.138089376,2.27E-11,7.21E-43,4.41E-96,5.20E-171,1.18E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,2.800415452,3.759760303,1.800884581,8.257416456,2.27773179,3.654547559,2.046094919,4.442251381,1.090314901,2.28734327,0.954009578,1.676357391,2.76E-10,8.75E-42,5.35E-95,6.32E-170,1.44E-266,0,0,0,0,0,0,0,0,0,0,0,0,0,1.191020888,3.759633993,0.664998017,5.197567976,0.725108327,1.921306047,0.485469091,1.488043485,0.797559314,0.86675886,0.389867266,0.299948577,4.93E-11,1.57E-42,9.58E-96,1.13E-170,2.57E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,3.579717208,3.759857818,2.445777316,10.17038227,3.428180474,4.738495798,3.179597542,6.25607997,1.232073141,3.074024726,1.240588457,2.743949617,4.51E-10,1.43E-41,8.76E-95,1.03E-169,2.35E-266,0,0,0,0,0,0,0,0,0,0,0,0,0,1.305420662,2.103043333,0.653003787,4.121818278,0.918635278,2.422718168,0.614769461,1.560243317,1.379753709,1.702324001,0.398021034,0.380998015,6.27E-11,1.99E-42,1.22E-95,1.44E-170,3.27E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,3.147499837,1.247709653,0.496234566,0.643470476,0.255080021,0.344475535,0.44263871,0.346079189,4.891444055,6.1082208,12.94846033,0.465205715,1.133193435,2.892231814,0.681771935,0.138867257,0.778974494,0.183623922,0.298985902,0.135525445,0.027352041,3.712871007,2.46815458,6.454849945,0.668461741,0.461863388,2.984029884,0.897892567,0.27291534,0.718206109,0.216107731,0.314244406,0.233130332,0.105310239,4.154837791,3.738774438,8.62484474,0.577309164,0.652684977,3.140093019,1.232842634,0.486546866,0.646178478,0.253698337,0.342995935,0.432495981,0.332791267,4.859482519,5.998878685,12.74190116,0.469267717,1.108283184,3.028675214,0.997932272,0.335880143,0.694254167,0.228753032,0.322050842,0.286706142,0.159251972,4.362487629,4.374870235,9.752526286,0.54138125,0.768008956,3.171130416,1.294518361,0.526869364,0.635176544,0.259291669,0.349278694,0.475267791,0.389780212,4.99251814,6.457900077,13.61326255,0.452764815,1.214326697,3.197545852,1.225545915,0.483661433,0.651662254,0.249767181,0.355679933,0.427703564,0.327963049,4.906753201,6.05801816,12.86011441,0.477493382,1.111346546 +UMLS0266,L,4-methyl-1-pentyne,CC(C)CC#C,138948,,UML,[1],C6H10,PubChem,,18.4,0,-1.1836,1.40090896,32.1631,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,1864.442842,2079.488723,1145.330596,551.162642,141.39216,12.192768,0,4371.159516,5876.91121,8447.051418,10013.35716,7830.409782,4279.977653,1769.041052,373.0049332,0,188.796996,195.98202,384.589288,568.40654,578.484112,438.810824,205.5456,80.621568,0,33.10313229,45.14389758,70.19563559,87.22019674,75.71300131,45.18456539,20.0277012,5.335354858,0,4469.666941,3897.355064,8323.286703,13130.75959,13716.68734,11146.17126,5229.578518,2219.011824,0,39.52777778,48.58333333,83.41666667,114.0833333,112.8333333,79,37,12,0,48.76541633,56.15943233,34.5267193,25.67270028,13.79916381,8.611916281,4.713072,1.016064,0,161.8947969,217.6633782,156.4268781,123.6216934,94.34228653,66.87465083,58.96803508,31.08374443,0,6.992481333,7.258593333,7.122023852,7.017364691,6.969688096,6.856419125,6.85152,6.718464,0,1.226041937,1.671996207,1.299919178,1.076792552,0.912204835,0.706008834,0.66759004,0.444612905,0,165.54322,144.3464838,154.134939,162.1081431,165.2612933,174.1589259,174.3192839,184.917652,0,1.46399177,1.799382716,1.544753086,1.408436214,1.359437751,1.234375,1.233333333,1,0,0.037046379,-0.001666059,-0.013685665,0.001564822,-0.022443639,0.011723318,-0.001278013,0.007262046,0,726.396054,7.46E-13,-242.132018,1.07E-14,-497.7158148,215.2284604,-5.01E-13,161.4213453,0,1350.764481,-5.26E-13,-450.2548269,-6.75E-13,-925.5238108,400.2265128,6.39E-14,300.1698846,0,0.142296,2.03E-15,-0.047432,7.07E-16,-0.097499111,0.042161778,-1.12E-15,0.031621333,0,6.038545709,1.65E-14,-2.01284857,5.77E-15,-4.13752206,1.789198729,-9.33E-15,1.341899046,0,32.80147613,-2.00E-13,-10.93382538,-5.77E-14,-22.4750855,9.718955891,1.11E-13,7.289216918,0,1.995884774,-0.345679012,-0.686213992,0.308641975,-0.912246609,0.544734034,-0.291723823,0.384545039,0,0.001372088,-6.17E-05,-2.53E-04,1.93E-05,-2.70E-04,1.83E-04,-4.26E-05,6.05E-04,0,26.90355756,2.76E-14,-4.483926259,1.32E-16,-5.996576082,3.362944694,-1.67E-14,13.45177878,0,50.0283141,-1.95E-14,-8.33805235,-8.33E-15,-11.15088929,6.253539262,2.13E-15,25.01415705,0,0.005270222,7.54E-17,-8.78E-04,8.73E-18,-0.001174688,6.59E-04,-3.75E-17,0.002635111,0,0.223649841,6.11E-16,-0.037274974,7.13E-17,-0.049849663,0.02795623,-3.11E-16,0.111824921,0,1.214869486,-7.40E-15,-0.202478248,-7.13E-16,-0.270784163,0.151858686,3.70E-15,0.607434743,0,0.073921658,-0.012802926,-0.012707667,0.003810395,-0.010990923,0.008511469,-0.009724127,0.03204542,0,-0.044972247,-0.184709879,0.014079849,-0.197075744,0.133502242,-0.031047893,0.441058034,0,1.03E-15,-0.166666667,4.89E-18,-0.222891566,0.125,-6.21E-16,0.5,0,-3.89E-16,-0.166666667,-1.67E-16,-0.222891566,0.125,4.26E-17,0.5,0,1.43E-14,-0.166666667,1.66E-15,-0.222891566,0.125,-7.12E-15,0.5,0,2.73E-15,-0.166666667,3.19E-16,-0.222891566,0.125,-1.39E-15,0.5,0,-6.09E-15,-0.166666667,-5.87E-16,-0.222891566,0.125,3.05E-15,0.5,0,-0.173195876,-0.171907216,0.051546392,-0.148683393,0.115141753,-0.131546392,0.433505155,0,1.490461491,1.333300154,0.97233124,1.140099192,0.648323793,0.794290248,0.00423649,0,1.444444444,1.364197531,1.016460905,1.148594378,0.609375,0.722222222,0,0,1.444444444,1.364197531,1.016460905,1.148594378,0.609375,0.722222222,0,0,1.444444444,1.364197531,1.016460905,1.148594378,0.609375,0.722222222,0,0,1.444444444,1.364197531,1.016460905,1.148594378,0.609375,0.722222222,0,0,1.444444444,1.364197531,1.016460905,1.148594378,0.609375,0.722222222,0,0,1.675257732,1.165979381,0.790721649,1.094286424,0.814175258,1.194123711,0,0,40.03575902,20.01787951,29.35871161,40.03575902,4.448417669,20.01787952,1.07E-14,0.072925189,0.008102799,-2.356489048,61.75005595,6.861117327,3.710785393,40.03575902,20.01787951,29.35871161,40.03575902,4.448417669,20.01787952,1.07E-14,0.072925189,0.008102799,-2.356489048,61.75005595,6.861117327,3.710785393,40.03575902,20.01787951,29.35871161,40.03575902,4.448417669,20.01787952,1.07E-14,0.072925189,0.008102799,-2.356489048,61.75005595,6.861117327,3.710785393,40.03575902,20.01787951,29.35871161,40.03575902,4.448417669,20.01787952,1.07E-14,0.072925189,0.008102799,-2.356489048,61.75005595,6.861117327,3.710785393,40.03575902,20.01787951,29.35871161,40.03575902,4.448417669,20.01787952,1.07E-14,0.072925189,0.008102799,-2.356489048,61.75005595,6.861117327,3.710785393,40.03575902,20.01787951,29.35871161,40.03575902,4.448417669,20.01787952,1.07E-14,0.072925189,0.008102799,-2.356489048,61.75005595,6.861117327,3.710785393,43.24183702,21.57385061,31.83014589,43.16862029,4.796513365,21.57385061,-0.094135802,0.071216789,0.007912977,-2.377824017,69.37074664,7.707860738,3.815518734,0,11.9,12.1001487,-0.151273848,0.048890527,5.574370918,8.802755905,9,27,27,27,9,0,0,0,0,0,19.677726,3.6320542,3.180052,2.945817421,2.688292988,1.846554402,1.753131121,1.454441211,1.122946561,1.911135794,1.840961226,1.543910725,1.114249919,1.067236047,0.782564957,0.614914746,0.537556093,3.656793375,3.214350671,2.984115995,2.736875171,1.925089082,1.834262961,1.554720787,1.247019953,1.854857384,1.778043787,1.457618021,1.008390927,0.959098218,0.645765743,0.466222489,0.382916975,3.765439631,3.365834016,3.152527083,2.94650103,2.256996727,2.176961494,1.962840072,1.732917972,1.690885851,1.590937281,1.192279105,0.678084935,0.620118197,0.189764285,0.038370948,0.147306397,3.675008576,3.239671371,3.012359315,2.772499986,1.982400312,1.893471859,1.626944234,1.335136272,1.819160685,1.737796762,1.40161831,0.939236481,0.888335115,0.554236562,0.366102466,0.278427117,3.818331556,3.43964669,3.233982116,3.045361043,2.40808527,2.332680125,2.141467679,1.937675008,1.640220899,1.531967921,1.106298777,0.57007717,0.508671823,0.028532376,0.22064231,0.341437958,3.687609251,3.327737477,3.054771471,2.890885982,2.121358515,2.00621237,1.771267315,1.507625443,1.783493509,1.683057155,1.240902387,0.824748214,0.751385936,0.366162443,0.181285843,0.084794985,0,0,0,0,0,1,7,1,0,0,0,0,0,0,0,0,0,0,0,0.204124145,0,0,0,0.204124145,0,0,0,0.49279928,0.594861352,0.49279928,0.49279928,0.594861352,0.49279928,6.527097737,4.431851653,3.265837526,2.552095141,1.772164652,1.230171716,0.853643198,0.24639964,0.725233082,0.492427961,0.326583753,0.232008649,0.161105877,0.111833792,0.077603927,0.06159991,6.527097737,4.431851653,3.265837526,2.552095141,1.772164652,1.230171716,0.853643198,0.24639964,0.725233082,0.492427961,0.326583753,0.232008649,0.161105877,0.111833792,0.077603927,0.06159991,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.3668,41.483,41.85640779,57.06077867,83.71281557,9.301423952,41.85640779,0.10183034,0.011314482,-2.056002465,46.58315851,5.175906501,3.457115163,70,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,1,0,7,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,2.329351852,0,10.42759259,0,0,0,1.076388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.329351852,0,1.416666667,0,0,0,1.076388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.329351852,0,1.510416667,0,0,0,1.076388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.83333333,1.537037037,0.2,2.329351852,0.2,1.076388889,6.489844907,0.256944444,0.329351852,0.70037037,0.256944444,0.329351852,0.70037037,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.11111,0.11111,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,9.6754,1.07504,9.6754,0,0,4.43185,0.49243,4.43185,0,0,-0.01785,-0.00198,0.06815,0.00757,0.259259259,9,0,0,0,0,0,0,1,0.918295834,1.247104744,2.100535766,2.72788543,3.013422687,2.71342767,24.79398752,33.67182808,56.71446567,73.65290661,81.36241255,73.26254708,0.193126721,0.262278496,0.441763504,0.573701361,0.633752678,0.57066075,3.836591668,3.507782759,2.654351736,2.027002072,1.741464815,2.041459833,0.193126721,0.262278496,0.441763504,0.573701361,0.633752678,0.57066075,6.73287657,10.67858349,13.9984336,16.60714763,16.08068405,13.80188622,35.54887502,30.33929922,27.07853553,23.3010205,23.74391714,27.98260783,7.111111111,3.92,2.380165289,2,0,2,2.45,1.2681,0,2.172975479,0.5,0,10.12736582,4.195358823,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,4.393,10,11,11,11,11,4,2,0,0,78,2.302585093,2.397895273,2.48490665,2.48490665,2.48490665,2.48490665,1.609437912,1.098612289,0,0,4.369447852,1,0.4,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,2,0.222222222,1,3,5,0.666666667,1,0.444444444,0.25,0.125,0.08,0,0,0,0,0,0.111111111,0.044444444,0.022727273,0.03125,0.04,0,0,0,0,0,0.249532828,20.01787951,29.35871161,40.03575902,4.448417669,20.01787952,0.072925189,0.008102799,-2.356489048,61.75005595,6.861117327,3.710785393,0,151.8638616,4.169925001,3.663561646,4.394449155,5.141663557,5.888877958,6.642486801,7.393263095,8.14815644,8.899867211,9.654962089,77.82728795,2.944438979,0,4.077537444,0,5.379897354,2.708050201,6.755768922,4.976733742,8.168769824,8.485908901,126.1408506,4.671883355,17.75679668,1.972977408,0,0,0,88,11,5.06,38,1.239923458,2.134638213,2.838905566,3.473155264,4.156107709,5.285872242,5.706829951,0,0,0,80.81594928,81.15742377,77.92795429,54.63561282,41.80171367,25.19097758,5.798504468,0,0,0,296.0135696,354.6884235,366.5364126,347.1956451,304.4872129,313.7964056,177.3896437,0,0,0,9.035882745,15.24792874,19.96169852,24.25255767,28.59402743,36.22627477,38.34113158,0,0,0,2.21490861,2.90006292,3.155621468,3.288552742,3.124881649,3.545579592,2.537330242,0,0,0,176.7508146,325.8182703,457.258808,570.6662946,716.2171115,920.631704,1055.293595,0,0,0,2.288780661,3.365766567,4.059316283,4.79313869,5.301451564,6.543780972,5.706829951,0,0,0,0.458161945,0.610019598,0.670928644,0.709762561,0.684793433,0.787171133,0.584379387,0,0,0,332.8925824,156.2074134,8.569506239,48.65106381,-22.82915643,-2.887817541,284.2415185,179.0365698,11.45732378,0.872488864,0.409409028,0.022460094,0.127511136,-0.05983367,-0.007568774,127.0130497,59.59994607,3.269640656,18.56250427,-8.710319583,-1.101828434,0.06366113,0.138371259,0.723873701,3.79893764,381.5436462,0,1,0,582.7375713,24.13995798,8.352651082,757.1042208,27.5155269,9.114200029,1048.505369,32.38063263,10.15913862,1.385302312,1.195214167,510.574552,421.2097521,164.0974313,1.212162229,3.111410994,2.566827212,4.042362426,4.023895588,7.051173523,0.752325171,5.541779374,8.017090882,9.545741231,16.80912109,13.89260838,17.9879418,11.62378617,11.78565732,3.886288397,6.686737357,2.998275559,1.334705545,0.943267688,1.78E-09,7.97E-40,6.88E-92,1.14E-165,3.67E-261,0,0,0,0,0,0,0,0,0,0,0,0,0.424984908,7.089395832,0.700953993,6.508565861,1.623831925,1.872022576,0.82072114,1.082454814,0.139766078,0.420835535,0.101310773,0.009669673,0.006643511,1.26E-11,5.62E-42,4.84E-94,8.05E-168,2.58E-263,0,0,0,0,0,0,0,0,0,0,0,0,1.39832493,7.151387143,2.327887597,7.92575998,2.86549847,3.945292998,2.29927891,2.22848557,0.573912529,1.111860189,0.426089518,0.098651547,0.069230512,1.31E-10,5.85E-41,5.05E-93,8.39E-167,2.69E-262,0,0,0,0,0,0,0,0,0,0,0,0,5.203377648,7.915238406,8.941130785,15.9360677,12.69483812,16.57103871,10.705391,10.76294983,3.539974142,6.09513567,2.726627642,1.189383994,0.840434528,1.59E-09,7.11E-40,6.13E-92,1.02E-165,3.27E-261,0,0,0,0,0,0,0,0,0,0,0,0,2.087605426,7.231761329,3.497719742,9.102119499,4.092771229,5.729682375,3.529998549,3.32361754,0.970102033,1.760810234,0.728185206,0.213621822,0.150377922,2.84E-10,1.27E-40,1.10E-92,1.82E-166,5.85E-262,0,0,0,0,0,0,0,0,0,0,0,0,6.823290533,8.445366605,11.85603106,20.31694083,18.83458928,23.72266733,15.31603889,15.98951187,5.301327645,9.113349203,4.111133606,1.945664436,1.375667273,2.60E-09,1.16E-39,1.00E-91,1.67E-165,5.35E-261,0,0,0,0,0,0,0,0,0,0,0,0,3.565635099,7.175247875,5.762592654,11.77247776,7.172591171,10.28228822,6.314736417,6.177698098,1.954373197,3.619147801,1.693397748,0.56570001,0.399269644,7.55E-10,3.38E-40,2.91E-92,4.84E-166,1.55E-261,0,0,0,0,0,0,0,0,0,0,0,0,3.795297849,1.500920126,0.769039081,0.62574394,0.247461915,0.502802156,0.460931521,0.49382825,6.065257056,9.769437531,20.21547874,0.43861591,1.457561927,3.04656782,1.004896698,0.296775645,0.700643871,0.231104231,0.325096623,0.206880247,0.07298423,4.348240163,4.263861937,9.520676564,0.550965807,0.6049611,3.343590735,1.202069068,0.484523738,0.664705514,0.238971214,0.390940688,0.295944549,0.195288793,5.03018354,6.221707076,13.19930151,0.497058271,0.88217403,3.776728296,1.488655945,0.757364314,0.627077199,0.247172189,0.49792397,0.453452907,0.478894672,6.022748556,9.610063157,19.89090249,0.440615799,1.430271549,3.476140491,1.289882452,0.568130829,0.651676093,0.241815761,0.422296455,0.340684113,0.268859847,5.334153772,7.191537187,15.07308314,0.47751414,1.031840415,3.853443873,1.539311321,0.805584628,0.621689676,0.248342518,0.518232325,0.48473264,0.542057292,6.198339822,10.27597047,21.25275617,0.432534513,1.545022257,3.790701768,1.490632329,0.759929477,0.627468363,0.246741813,0.501556944,0.454592167,0.482221668,6.041263574,9.663984064,19.99926153,0.441202545,1.438370779 +UMLS0267,L,ethylcycloheptane,CCC1CCCCCC1,139398,,UML,[1],C9H18,PubChem,,-2,0,0.3744,0.14017536,34.8526,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1432.661672,1509.368456,1154.298941,371.512512,39.626496,0,0,3885.475125,4800.404174,6285.345707,7098.100383,6671.388098,4207.30508,1212.266033,0,0,167.819552,166.665724,297.5336,367.113248,420.789812,414.284544,262.020096,0,0,29.42500648,37.33900896,52.14452968,60.60424716,61.14187754,45.40685364,17.33990329,0,0,3973.037281,3337.521256,6602.062723,8260.468617,9723.409095,10204.7962,7211.788429,0,0,46.05555556,51.88888889,72.58333333,93,107,94,39,0,0,48.76541633,52.3287937,34.11099219,29.02631646,19.23831568,6.1918752,1.016064,0,0,161.8947969,208.713225,149.6510883,136.5019304,111.1898016,70.12175134,31.08374443,0,0,6.992481333,7.246335826,7.084133333,7.059870154,7.013163533,6.9047424,6.718464,0,0,1.226041937,1.623435172,1.241536421,1.165466291,1.019031292,0.756780894,0.444612905,0,0,165.54322,145.1096198,157.1919696,158.8551657,162.0568183,170.0799367,184.917652,0,0,1.918981481,2.256038647,1.728174603,1.788461538,1.783333333,1.566666667,1,0,0,0.046590245,-0.008149964,-0.006769293,-0.001071152,-0.012687999,-0.02547831,0.030861596,0,0,645.6853813,-53.80711511,3.52E-13,-107.6142302,-363.198027,-322.8426907,524.6193723,0,0,1200.679538,-100.0566282,8.53E-14,-200.1132564,-675.3822403,-600.3397692,975.5521249,0,0,0.126485333,-0.010540444,1.84E-15,-0.021080889,-0.071148,-0.063242667,0.102769333,0,0,5.367596186,-0.447299682,7.52E-15,-0.894599364,-3.019272855,-2.683798093,4.361171901,0,0,29.15686767,-2.429738973,-7.31E-14,-4.859477945,-16.40073807,-14.57843384,23.68995498,0,0,6.013888889,-1.876736111,0.572916667,-0.645833333,0.4375,-4.8125,3.317708333,0,0,0.00194126,-3.54E-04,-1.61E-04,-2.06E-05,-2.11E-04,-4.25E-04,7.91E-04,0,0,26.90355756,-2.339439787,8.37E-15,-2.069504427,-6.05330045,-5.380711511,13.45177878,0,0,50.0283141,-4.350288182,2.03E-15,-3.848331854,-11.25637067,-10.00566282,25.01415705,0,0,0.005270222,-4.58E-04,4.39E-17,-4.05E-04,-0.0011858,-0.001054044,0.002635111,0,0,0.223649841,-0.019447812,1.79E-16,-0.017203834,-0.050321214,-0.044729968,0.111824921,0,0,1.214869486,-0.105640825,-1.74E-15,-0.093451499,-0.273345634,-0.242973897,0.607434743,0,0,0.250578704,-0.081597222,0.013640873,-0.012419872,0.007291667,-0.080208333,0.085069444,0,0,-0.182534134,-0.08302527,-0.010611191,-0.108932666,-0.218743732,0.407633647,0,0,-0.086956522,3.11E-16,-0.076923077,-0.225,-0.2,0.5,0,0,-0.086956522,4.06E-17,-0.076923077,-0.225,-0.2,0.5,0,0,-0.086956522,8.33E-15,-0.076923077,-0.225,-0.2,0.5,0,0,-0.086956522,8.01E-16,-0.076923077,-0.225,-0.2,0.5,0,0,-0.086956522,-1.43E-15,-0.076923077,-0.225,-0.2,0.5,0,0,-0.325635104,0.054437479,-0.049564754,0.029099307,-0.320092379,0.339491917,0,0,1.515938958,1.069443827,1.010658132,1.213486055,1.133671025,0.07264399,0,0,1.5,1.129464286,1.161057692,1.221875,1.00625,0,0,0,1.5,1.129464286,1.161057692,1.221875,1.00625,0,0,0,1.5,1.129464286,1.161057692,1.221875,1.00625,0,0,0,1.5,1.129464286,1.161057692,1.221875,1.00625,0,0,0,1.5,1.129464286,1.161057692,1.221875,1.00625,0,0,0,1.718244804,0.650060486,1.129774383,1.041108545,1.466050808,0,0,0,33.05449736,16.52724868,22.8810016,33.05449736,4.131812169,16.52724889,1.42E-14,0.121401371,0.015175171,-1.686922486,48.02880367,6.003600459,3.097440726,33.05449736,16.52724868,22.8810016,33.05449736,4.131812169,16.52724889,1.42E-14,0.121401371,0.015175171,-1.686922486,48.02880367,6.003600459,3.097440726,33.05449736,16.52724868,22.8810016,33.05449736,4.131812169,16.52724889,1.42E-14,0.121401371,0.015175171,-1.686922486,48.02880367,6.003600459,3.097440726,33.05449736,16.52724868,22.8810016,33.05449736,4.131812169,16.52724889,1.42E-14,0.121401371,0.015175171,-1.686922486,48.02880367,6.003600459,3.097440726,33.05449736,16.52724868,22.8810016,33.05449736,4.131812169,16.52724889,1.42E-14,0.121401371,0.015175171,-1.686922486,48.02880367,6.003600459,3.097440726,33.05449736,16.52724868,22.8810016,33.05449736,4.131812169,16.52724889,1.42E-14,0.121401371,0.015175171,-1.686922486,48.02880367,6.003600459,3.097440726,48.11614185,23.82369593,33.52662945,47.76457935,5.970572419,23.82369593,-0.46875,0.182020676,0.022752585,-1.362907994,82.77704099,10.34713012,3.532920592,0,11.89,12.11011416,-0.171422704,0.051137342,5.64275,9.080253904,7,23,22,22,6,1,1,0,0,1,17.491312,3.603308163,3.057108808,2.902564078,2.24498107,2.112027127,1.598026915,1.134977168,0.375921918,1.931178139,1.591531912,1.563026335,1.137897591,1.015297944,0.769718516,0.432803315,0.083923071,3.623601852,3.093005904,2.950308951,2.314517805,2.180028581,1.695309721,1.244153795,0.498303987,1.879626265,1.514243681,1.473453684,1.025337047,0.898788478,0.630337185,0.281046943,0.270913902,3.715910755,3.252071057,3.155598408,2.6049335,2.469233643,2.090117344,1.685728992,0.960746841,1.734951073,1.283910643,1.195492746,0.659633478,0.524502783,0.162386152,0.233965322,0.943918427,3.638715099,3.119543344,2.985267979,2.364989673,2.229714711,1.765276817,1.32265771,0.584340948,1.847406863,1.464703456,1.415133181,0.950740728,0.821867161,0.536857124,0.17885705,0.399277246,3.762720882,3.329713173,3.252217518,2.73642415,2.602447469,2.26277616,1.877254159,1.207644823,1.69203995,1.21166462,1.104407163,0.533901573,0.397805575,0.004703131,0.419924739,1.145151261,3.652657715,3.197749148,3.001250795,2.560074253,2.279364415,1.790158961,1.350936348,0.641631894,1.904584594,1.380849693,1.364549028,0.840905842,0.655472535,0.477226729,0.116901776,0.533333333,0,0,1,0,1,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.5,0,0.166666667,0,0.348461713,0,0.102062073,0,1.138071187,1.304737854,0.333333333,0.823749909,0.925811982,0.204124145,6.568914101,3.718744015,2.820593172,1.991563832,1.231484176,0,0,0,0.821114263,0.531249145,0.352574147,0.248945479,0.246296835,0,0,0,6.198670613,3.372938668,2.359772676,1.682521985,0.98559856,0,0,0,0.774833827,0.481848381,0.294971585,0.210315248,0.197119712,0,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,43,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,5,2,0,1,0,0,0,0,0,0,0,0,3,1,2,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.225833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.343194444,0,0,0,1.228333333,0.580555556,0,0.343194444,0,0,0,0,0,0,0,0,6.531111111,3.89712963,2.483796296,0,0,0,0.759259259,0,0,1.328703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.328703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.343194444,0,0,0,0.225625,0.290277778,0,0.343194444,0,0,0,0,0,0,0,0,2.108796296,3.89712963,1.241898148,0,0,0,0.759259259,0,0,1.328703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.89712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.343194444,0,0,0,0.290277778,0.290277778,0,0.343194444,0,0,0,0,0,0,0,0,2.211157407,3.89712963,1.241898148,0,0,0,0.759259259,0,0,1.328703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15,1.875,0.343194444,3.89712963,0.038194444,0.759259259,5.393255,0.574074074,0.89712963,2.856481481,0.574074074,0.89712963,2.856481481,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.5,0.25,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.63369,0.95421,9.08078,1.44709,0.18089,3.19431,0.39929,3.71873,0.52442,0.06555,0.19527,0.02441,0.19527,0.02441,0,7,0,0,0,0,0,0,0.75,0.918295834,2.114005463,3.15726823,3.15726823,2.966228125,2.285401042,22.03910002,50.73613111,75.77443751,75.77443751,71.18947501,54.84962501,0.200284263,0.461073665,0.688613752,0.688613752,0.646947085,0.498455776,3.666666667,2.470957038,1.427694271,1.427694271,1.618734375,2.299561459,0.200284263,0.461073665,0.688613752,0.688613752,0.646947085,0.498455776,6.73287657,17.09808847,18.1495148,18.1495148,15.85703355,9.787054803,31.59900002,18.70284314,18.39172969,18.39172969,17.24548907,12.32324584,8,3.9375,2.8125,8,2,5,2.34,1.1928,1.683693072,3.509530701,4.298279727,0,0.5,2.828427125,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.108,0.104,0.16,3.408,8,8,5,0,0,0,0,0,0,36,2.197224577,2.397895273,2.397895273,2.079441542,0,0,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,2,4,1,2,1.111111111,0.625,0,0,0,0,0,0,0,0.285714286,0.138888889,0.078125,0,0,0,0,0,0,0,0.502728175,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,0,144.287877,4,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,72.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.389132521,112.1252005,4.671883355,14.50113758,1.812642197,0,0,0,67,8,3.954,30,1.226391304,2.124250487,2.933429368,3.596504138,4.202911983,4.40969089,0,0,0,0,74.73814722,82.50602934,93.63826239,72.29033622,25.44077175,4.480528165,0,0,0,0,280.6431588,346.1648809,424.3106121,413.9095176,290.3173171,137.0697047,0,0,0,0,8.920641989,15.11083307,20.7623213,25.27544901,28.99903745,29.6263495,0,0,0,0,2.124868553,2.808577985,3.563533612,3.766216913,3.145512963,1.960605476,0,0,0,0,175.8569114,329.4558446,462.2227339,578.7501682,716.5027008,815.4296856,0,0,0,0,2.827550725,3.82693815,5.394865982,6.547039567,6.475546093,4.40969089,0,0,0,0,0.4404825,0.590494043,0.753847389,0.80713898,0.693026556,0.451552347,0,0,0,0,348.2674059,163.3425204,10.09663722,151.5196027,-71.06491558,-9.194854574,196.7478032,234.407436,19.29149179,0.69683165,0.326824262,0.02020188,0.30316835,-0.142190402,-0.018397546,174.059525,81.63646965,5.046168112,75.727529,-35.51732158,-4.595468863,0.113941547,0.212033715,2.669337,4.581035813,499.7870086,0,1,0,457.3961477,21.38682182,7.704849633,612.8133496,24.75506715,8.493944243,816.1039101,28.56753245,9.345054092,1.472132459,1.184764923,429.2495787,308.0721719,181.2013642,1.39334097,2.3689092,1.700164749,4.019656271,3.477616438,6.42424645,0.847313114,4.716243312,6.435919691,6.243685676,19.94142798,12.27692098,12.15106048,9.102555222,20.40061774,5.698993586,7.178552118,1.107421217,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.388854219,5.866306277,0.447043622,7.98815944,1.931664351,1.171329124,0.89093466,0.868293206,1.082910362,0.089187472,0.007800727,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.259827673,5.904369505,1.493812985,9.608564697,2.865882481,2.810697064,2.305207815,3.348265857,1.578579089,0.626108792,0.081281197,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.446958553,6.373381316,5.840548316,18.91974135,11.22704215,11.26598192,8.507196391,18.67173926,5.258417803,6.422558601,0.986693102,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.861387324,5.953719999,2.252901828,10.96425209,3.856808949,4.114767341,3.35382365,5.498146219,2.051436682,1.264936506,0.176550991,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.718239813,6.698885005,7.791130057,24.05345162,16.63711057,15.66984823,11.41209732,27.40719834,7.509624644,10.34324868,1.615066283,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650851139,4.539674011,3.154776132,11.56416108,5.663119909,5.612243377,4.92073718,8.092424522,2.98871044,2.184818356,0.315003766,0.320486556,2.28E-15,3.14E-51,8.31E-109,4.25E-188,4.19E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.42991038,1.868537532,0.666028599,0.575056398,0.313277708,0.535816398,0.449269895,0.43033875,5.964476511,9.937834114,20.17083215,0.362584598,1.415425042,2.481176112,1.349465352,0.267870782,0.605384579,0.329257367,0.280215114,0.235043531,0.068303899,4.098512246,4.37437812,9.369791711,0.408076869,0.583562544,2.857538441,1.555604765,0.426469479,0.590447754,0.321431665,0.371660699,0.311821282,0.174747344,4.839612685,6.327271299,13.06262629,0.385671631,0.858229325,3.406383676,1.855682924,0.656213892,0.575569826,0.313551027,0.528471787,0.443125143,0.417617469,5.918280493,9.774209227,19.84052799,0.36335474,1.389214398,3.025508009,1.647490759,0.496952885,0.585210116,0.31866657,0.416694037,0.349559644,0.238068016,5.169951654,7.306756708,14.95376827,0.377815175,1.004321696,3.503575794,1.908783996,0.696744118,0.57350077,0.312449096,0.559144743,0.468785676,0.471393442,6.109103908,10.45859925,21.22722781,0.360251155,1.49932386,3.410330438,1.862532552,0.656424962,0.575166945,0.314124152,0.529829118,0.44656755,0.417331277,5.929287952,9.813090341,19.91189214,0.362750418,1.393727945 +UMLS0268,L,2-methyl-3-ethyl-1-pentene,CCC(CC)C(=C)C,140591,,UML,[1],C8H16,PubChem,,14.2,0,1.9744,3.89825536,39.5836,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1410.479624,1481.090024,1170.384605,399.790944,45.72288,0,0,3885.475125,4800.404174,6118.039963,6744.292173,6652.191376,4561.113291,1398.768499,0,0,167.819552,166.665724,296.735264,326.004128,381.277364,455.393664,302.33088,0,0,29.42500648,37.33900896,50.80666687,56.59870692,59.81206292,49.41239387,20.00758072,0,0,3973.037281,3337.521256,6665.652931,7214.552914,8550.312974,11250.7119,8321.294341,0,0,42.05555556,50.44444444,72.25,81.33333333,94,96,45,0,0,48.76541633,52.3287937,33.58284819,32.19760922,21.67378898,6.057438545,1.016064,0,0,161.8947969,208.713225,145.6676182,146.6150472,123.1887292,69.10777713,31.08374443,0,0,6.992481333,7.246335826,7.065125333,7.087046261,7.060691926,6.899904,6.718464,0,0,1.226041937,1.623435172,1.209682544,1.230406672,1.107630795,0.748672634,0.444612905,0,0,165.54322,145.1096198,158.7060222,156.8381068,158.3391292,170.4653319,184.917652,0,0,1.752314815,2.193236715,1.720238095,1.768115942,1.740740741,1.454545455,1,0,0,0.036260335,0.001253419,-6.87E-04,-0.014287958,-0.020005254,-0.012271418,0.027867752,0,0,645.6853813,-53.80711511,80.71067267,-107.6142302,-524.6193723,-322.8426907,605.330045,0,0,1200.679538,-100.0566282,150.0849423,-200.1132564,-975.5521249,-600.3397692,1125.637067,0,0,0.126485333,-0.010540444,0.015810667,-0.021080889,-0.102769333,-0.063242667,0.11858,0,0,5.367596186,-0.447299682,0.670949523,-0.894599364,-4.361171901,-2.683798093,5.032121424,0,0,29.15686767,-2.429738973,3.644608459,-4.859477945,-23.68995498,-14.57843384,27.33456344,0,0,3.717592593,-1.287229938,0.734953704,-0.643904321,-0.475694444,-3.320601852,3.133680556,0,0,0.001510847,5.45E-05,-1.64E-05,-3.11E-04,-3.70E-04,-1.86E-04,6.19E-04,0,0,26.90355756,-2.339439787,1.921682683,-2.339439787,-9.715173562,-4.891555919,13.45177878,0,0,50.0283141,-4.350288182,3.573451007,-4.350288182,-18.06578009,-9.096057109,25.01415705,0,0,0.005270222,-4.58E-04,3.76E-04,-4.58E-04,-0.001903136,-9.58E-04,0.002635111,0,0,0.223649841,-0.019447812,0.015974989,-0.019447812,-0.080762443,-0.040663607,0.111824921,0,0,1.214869486,-0.105640825,0.086776392,-0.105640825,-0.43870287,-0.220885361,0.607434743,0,0,0.154899691,-0.055966519,0.017498898,-0.01399792,-0.008809156,-0.050312149,0.069637346,0,0,0.036070147,-0.010821872,-0.205585161,-0.245205234,-0.123063776,0.409891434,0,0,-0.086956522,0.071428571,-0.086956522,-0.361111111,-0.181818182,0.5,0,0,-0.086956522,0.071428571,-0.086956522,-0.361111111,-0.181818182,0.5,0,0,-0.086956522,0.071428571,-0.086956522,-0.361111111,-0.181818182,0.5,0,0,-0.086956522,0.071428571,-0.086956522,-0.361111111,-0.181818182,0.5,0,0,-0.086956522,0.071428571,-0.086956522,-0.361111111,-0.181818182,0.5,0,0,-0.361308138,0.112969223,-0.090367643,-0.056870071,-0.32480471,0.449564134,0,0,1.336956115,1.251396152,1.437858396,1.205482717,0.92812889,0.004384695,0,0,1.5,1.026785714,1.21875,1.4375,0.980113636,0,0,0,1.5,1.026785714,1.21875,1.4375,0.980113636,0,0,0,1.5,1.026785714,1.21875,1.4375,0.980113636,0,0,0,1.5,1.026785714,1.21875,1.4375,0.980113636,0,0,0,1.5,1.026785714,1.21875,1.4375,0.980113636,0,0,0,1.853051059,0.769258139,1.064757161,1.097965961,1.406090796,0,0,0,31.22277327,15.61138663,20.84745461,31.22277327,3.902846658,15.61138714,8.88E-15,1.55E-15,1.94E-16,-27.27819459,5000004.229,625000.5287,12.33995945,31.22277327,15.61138663,20.84745461,31.22277327,3.902846658,15.61138714,8.88E-15,1.55E-15,1.94E-16,-27.27819459,5000004.229,625000.5287,12.33995945,31.22277327,15.61138663,20.84745461,31.22277327,3.902846658,15.61138714,8.88E-15,1.55E-15,1.94E-16,-27.27819459,5000004.229,625000.5287,12.33995945,31.22277327,15.61138663,20.84745461,31.22277327,3.902846658,15.61138714,8.88E-15,1.55E-15,1.94E-16,-27.27819459,5000004.229,625000.5287,12.33995945,31.22277327,15.61138663,20.84745461,31.22277327,3.902846658,15.61138714,8.88E-15,1.55E-15,1.94E-16,-27.27819459,5000004.229,625000.5287,12.33995945,31.22277327,15.61138663,20.84745461,31.22277327,3.902846658,15.61138714,8.88E-15,1.55E-15,1.94E-16,-27.27819459,5000004.229,625000.5287,12.33995945,35.71587118,17.79682448,24.20816051,35.62420452,4.453025564,17.79682453,-0.122222222,6.66E-16,8.33E-17,-27.95603288,5000004.123,625000.5153,12.33995944,0,11.89,12.11011416,-0.158799299,0.062983496,5.685188615,8.955004397,7,23,22,22,6,1,1,0,0,1,17.491312,3.636135612,2.961360882,2.902564078,2.333552793,2.093979271,1.598026915,1.211552637,0.083923071,1.926351509,1.57243158,1.563026335,1.249629723,0.982383351,0.769718516,0.170092751,0.083923071,3.652954379,3.003930096,2.950308951,2.405454588,2.160567758,1.695309721,1.299166566,0.270913902,1.87838324,1.487110328,1.473453684,1.134540686,0.867012047,0.630337185,0.071371479,0.270913902,3.731500773,3.190066091,3.155598408,2.704236987,2.443999032,2.090117344,1.644025007,0.943918427,1.748107232,1.226795115,1.195492746,0.76031856,0.498254178,0.162386152,0.295320902,0.943918427,3.665586265,3.035275641,2.985267979,2.457539916,2.209226497,1.765276817,1.361657312,0.399277246,1.8487864,1.431903959,1.415133181,1.058262671,0.79100487,0.536857124,0.00221875,0.399277246,3.772564616,3.279310763,3.252217518,2.838982085,2.574841838,2.26277616,1.78735115,1.207644823,1.710873186,1.143193796,1.104407163,0.631337262,0.373935215,0.004703131,0.436868298,1.207644823,3.645352698,3.100873346,3.040414773,2.591598066,2.290463372,1.821430172,1.406903333,0.558139535,1.85501989,1.34466839,1.343277852,0.917179462,0.693138292,0.447409113,0.052494448,0.558139535,0,0,0,0,2,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0.5,0,0.166666667,0,0.375,0,0.125,0,1.138071187,1.304737854,0.333333333,0.853553391,0.978553391,0.25,6.568914101,3.718744015,2.820593172,1.991563832,1.231484176,0,0,0,0.821114263,0.531249145,0.352574147,0.248945479,0.246296835,0,0,0,6.414213562,3.371320344,2.310660172,1.560660172,0.957106781,0,0,0,0.801776695,0.481617192,0.288832521,0.195082521,0.191421356,0,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,43,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,4,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.097222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.067361111,1.161111111,0,0,0,0,0,0,0,0,0,0,8.793981481,0,2.44212963,0,0,0,0,0,0,3.097222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.49537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.243402778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.18287037,0,1.221064815,0,0,0,0,0,0,1.49537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.601851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290277778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.21412037,0,1.221064815,0,0,0,0,0,0,1.601851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,1.791666667,0.290277778,2.21412037,0.013888889,1.221064815,4.539398148,0.278935185,0.21412037,1.587962963,0.278935185,0.21412037,1.587962963,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.5,0.25,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,8.06411,1.00801,9.08078,1.01668,0.12708,3.1411,0.39264,3.71873,0.57763,0.0722,0.19527,0.02441,0.19527,0.02441,0,7,0,0,0,0,0,0,0.75,0.918295834,1.584962501,2.709147917,2.709147917,2.518107813,2.028320834,22.03910002,38.03910002,65.01955001,65.01955001,60.43458751,48.67970001,0.200284263,0.345687124,0.590876788,0.590876788,0.549210122,0.442385479,3.666666667,3,1.875814584,1.875814584,2.066854688,2.556641667,0.200284263,0.345687124,0.590876788,0.590876788,0.549210122,0.442385479,6.73287657,14.73287657,16.78187335,16.78187335,14.4893921,8.611948353,31.59900002,20.57945001,20.77067709,20.77067709,19.62443646,14.89323334,8,3.9375,2.8125,8,2,5,2.34,1.1928,1.683693072,3.509530701,4.298279727,0,0.5,2.828427125,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.099,0.064,0.179,0.192,3.66,8,8,5,0,0,0,0,0,0,36,2.197224577,2.564949357,2.708050201,2.302585093,0,0,0,0,0,0,3.951243719,1.416666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,2,4,1,2,1.111111111,0.625,0,0,0,0,0,0,0,0.285714286,0.138888889,0.078125,0,0,0,0,0,0,0,0.502728175,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,0,144.287877,4,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,72.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.389132521,112.1252005,4.671883355,14.50113758,1.812642197,0,0,0,67,8,3.362,30,1.219481556,2.104663604,3.031961722,3.857267085,4.588768948,4.726268024,0,0,0,0,75.37184678,83.87909562,111.4452516,88.67828921,27.00117367,4.802190793,0,0,0,0,281.526436,344.1391568,482.5932869,497.9931398,311.1233263,146.9101074,0,0,0,0,8.873756383,14.95427239,21.56819329,27.32025114,31.63345259,31.75326157,0,0,0,0,2.126268175,2.774782301,3.958529933,4.437070548,3.387536274,2.101359755,0,0,0,0,174.6559621,327.9500652,469.8196115,604.1291318,784.5051167,873.9703858,0,0,0,0,2.765257151,3.82123762,5.554165668,6.903260496,6.602892328,4.726268024,0,0,0,0,0.44057471,0.582944507,0.833658028,0.946520638,0.747033317,0.483969846,0,0,0,0,334.0208068,142.7071564,8.836412608,61.70225416,-26.36169082,-3.554165477,272.3185527,169.0688472,12.39057808,0.844077184,0.360623806,0.022329789,0.155922816,-0.066616514,-0.008981446,132.1797361,56.47251275,3.496772245,24.41700489,-10.43192898,-1.406465242,0.071950725,0.179000218,1.548721587,0.776845536,395.723061,0,1,0,445.9098004,21.11657644,7.639806152,606.4236352,24.62567025,8.464319337,764.1457205,27.64318579,9.142368628,1.24043061,1.24043061,518.9843649,323.5304597,214.7283689,1.604128295,2.416934323,1.506696397,4.302901731,3.590134676,6.877702442,0.915722685,6.664399502,5.688967748,5.512752204,12.56405925,16.73874032,5.173377198,12.92066001,12.34178222,11.31844754,7.078555625,1.252004022,2.35358834,0.224098572,1.52E-17,1.99E-55,5.01E-115,2.44E-196,2.29E-299,0,0,0,0,0,0,0,0,0,0,0,0,0.559297531,5.642901747,0.218567495,2.941857471,3.074780917,0.192190879,3.709679617,0.936841913,0.299710435,0.361958411,0.046242453,0.016576591,0.001578345,1.07E-19,1.40E-57,3.53E-117,1.72E-198,1.61E-301,0,0,0,0,0,0,0,0,0,0,0,0,1.805478999,5.645980119,0.866392749,3.891056177,4.859306267,0.777192157,5.588914671,2.516085004,1.394833434,1.312998638,0.188040754,0.172740263,0.016447567,1.12E-18,1.46E-56,3.68E-116,1.79E-197,1.68E-300,0,0,0,0,0,0,0,0,0,0,0,0,6.290649534,5.683910158,5.035524841,11.61595773,15.54685536,4.715688371,12.35644407,11.37869758,10.23562858,6.518802258,1.14128202,2.09700489,0.199667793,1.35E-17,1.77E-55,4.47E-115,2.17E-196,2.04E-299,0,0,0,0,0,0,0,0,0,0,0,0,2.66094351,5.649971254,1.439620875,4.843995501,6.382607592,1.306977175,6.879224507,3.822504767,2.489258264,2.090552892,0.316356602,0.375214747,0.035726314,2.42E-18,3.17E-56,7.99E-116,3.89E-197,3.65E-300,0,0,0,0,0,0,0,0,0,0,0,0,8.048227406,5.710234199,7.453567912,16.48211227,21.55526925,7.041422452,15.0100682,16.2084052,15.79118704,9.319758313,1.703861909,3.432487152,0.326826706,2.22E-17,2.90E-55,7.31E-115,3.56E-196,3.34E-299,0,0,0,0,0,0,0,0,0,0,0,0,3.921399352,5.231786374,2.289500475,6.165422695,8.72738425,2.131130961,8.363278935,5.794249273,4.415255978,3.453824078,0.541668971,0.733189536,0.069811129,4.73E-18,6.19E-56,1.56E-115,7.60E-197,7.13E-300,0,0,0,0,0,0,0,0,0,0,0,0,3.951973528,2.62955669,0.39843357,0.566188257,0.376729274,0.54902772,0.616780973,0.49963626,6.979963788,13.01424101,24.13470193,0.414376296,1.665444953,2.799287155,1.830912278,0.085895995,0.593560329,0.3882263,0.275461635,0.299020502,0.023221375,4.716095428,5.52296481,10.67929862,0.472679944,0.597703512,3.257096767,2.148107916,0.210025775,0.580046855,0.382550268,0.37293019,0.411602574,0.13883127,5.615230458,8.131827652,15.21652347,0.443895684,0.923364033,3.923436261,2.609784505,0.39069602,0.566649829,0.376923147,0.541127272,0.607540435,0.480418893,6.923916786,12.79182651,23.71620611,0.415359464,1.629086599,3.461161355,2.289495067,0.265355527,0.57532488,0.380566908,0.421123921,0.467568576,0.221614606,6.016011949,9.450280315,17.56905221,0.433837683,1.110307102,4.041316092,2.691458124,0.422657773,0.564789952,0.376141948,0.57413214,0.6461616,0.562237518,7.155431988,13.72269238,25.47538692,0.41139785,1.782531258,3.931641904,2.611092315,0.390817637,0.567045864,0.376587984,0.543393112,0.608149486,0.48071803,6.933551855,12.82289588,23.76853468,0.415450772,1.632260629 +UMLS0269,L,2-methyl-3-ethyl-2-pentene,CCC(=C(C)C)CC,140592,,UML,[1],C8H16,PubChem,,13.6,0,1.4802,2.19099204,30.3189,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,924.178589,686.110827,453.118514,154.429632,18.289152,0,0,2914.106344,3494.423905,4233.124071,3907.204221,2814.464344,1656.593096,559.5073998,0,0,125.864664,123.114164,212.050868,238.877292,228.143432,145.87776,120.932352,0,0,22.06875486,27.30703172,35.7627251,35.52832815,27.38797691,17.36404786,8.003032287,0,0,2979.777961,2471.442353,4748.191412,5476.928195,5604.494673,3501.729441,3328.517736,0,0,33.77777778,39.33333333,55,61,49,33,18,0,0,48.76541633,50.97680359,30.80595297,20.17973021,13.73086406,7.353792,1.016064,0,0,161.8947969,205.5543474,141.1041357,114.9177712,85.28679831,78.88538554,31.08374443,0,0,6.992481333,7.242009647,7.068362267,7.025802706,6.913437333,6.94656,6.718464,0,0,1.226041937,1.606295984,1.192090837,1.044950828,0.829938694,0.826859422,0.444612905,0,0,165.54322,145.3789619,158.2730471,161.0861234,169.8331719,166.749021,184.917652,0,0,1.87654321,2.31372549,1.833333333,1.794117647,1.484848485,1.571428571,1,0,0,0.038739543,-0.005318411,-0.006860597,-0.014913254,0.001730692,-0.005514603,0.011506402,0,0,484.264036,-53.80711511,-40.35533633,-228.6802392,40.35533633,-201.7766817,242.132018,0,0,900.5096538,-100.0566282,-75.04247115,-425.2406698,75.04247115,-375.2123557,450.2548269,0,0,0.094864,-0.010540444,-0.007905333,-0.044796889,0.007905333,-0.039526667,0.047432,0,0,4.025697139,-0.447299682,-0.335474762,-1.901023649,0.335474762,-1.677373808,2.01284857,0,0,21.86765075,-2.429738973,-1.822304229,-10.32639063,1.822304229,-9.111521147,10.93382538,0,0,3.530864198,-1.235939643,0.843621399,-1.990397805,0.748971193,-1.711934156,1.580246914,0,0,0.002152197,-3.13E-04,-2.29E-04,-4.39E-04,5.24E-05,-2.63E-04,6.39E-04,0,0,26.90355756,-3.165124418,-1.345177878,-6.725889389,1.22288898,-9.608413413,13.45177878,0,0,50.0283141,-5.885684011,-2.501415705,-12.50707852,2.274014277,-17.86725503,25.01415705,0,0,0.005270222,-6.20E-04,-2.64E-04,-0.001317556,2.40E-04,-0.001882222,0.002635111,0,0,0.223649841,-0.026311746,-0.011182492,-0.05591246,0.010165902,-0.079874943,0.111824921,0,0,1.214869486,-0.142925822,-0.060743474,-0.303717372,0.05522134,-0.433881959,0.607434743,0,0,0.196159122,-0.072702332,0.028120713,-0.058541112,0.022696097,-0.081520674,0.087791495,0,0,-0.145362031,-0.106257271,-0.203803444,0.024368221,-0.122014924,0.297019547,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.370629371,0.143356643,-0.298436857,0.115702479,-0.415584416,0.447552448,0,0,1.427202771,1.144646009,1.403409204,0.873431703,0.847932943,0.002912317,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.762237762,0.82027972,1.384615385,0.68086459,1.375624376,0,0,0,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,23.34439958,11.60275535,17.78940131,23.25180699,3.875301165,11.60277715,-0.138888889,0.120260574,0.020043429,-1.270856665,14.94631712,2.491052853,1.622678954,0,11.89,12.11007471,-0.154954146,0.067228264,5.295743165,7.50302765,5,17,16,16,4,1,1,0,0,1,13.118484,3.517606619,2.973446727,2.333552793,2.144218941,1.212755647,0.714238454,0.083923071,0.083923071,1.876614671,1.562795977,1.249629723,1.006105503,0.454457131,0.242677753,0.083923071,0.083923071,3.540212065,3.013827555,2.405454588,2.210649939,1.314575117,0.85296352,0.270913902,0.270913902,1.821017008,1.479346258,1.134540686,0.896768592,0.306288247,0.074238581,0.270913902,0.270913902,3.642387894,3.191621124,2.704236987,2.48977734,1.731762504,1.391492478,0.943918427,0.943918427,1.66333078,1.226940148,0.76031856,0.542581238,0.191473927,0.513929033,0.943918427,0.943918427,3.557013739,3.043627675,2.457539916,2.258979998,1.388112991,0.95125216,0.399277246,0.399277246,1.786115895,1.425528926,1.058262671,0.824386046,0.206853942,0.040284473,0.399277246,0.399277246,3.693794691,3.277571518,2.838982085,2.616800193,1.915254049,1.615628258,1.207644823,1.207644823,1.616067843,1.146660394,0.631337262,0.421299785,0.368828517,0.734374911,1.207644823,1.207644823,3.556782529,3.083747819,2.546278942,2.343749412,1.420038507,1.048111874,0.529411765,0.529411765,1.788931672,1.355414829,0.958043648,0.730094412,0.145135207,0.155381273,0.529411765,0.529411765,0,0,0,2,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.333333333,0,0,0,0.288675135,0.288675135,0,0.19245009,0.19245009,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.732050808,2.398717474,1.769800359,0.577350269,0.384900179,0,0,0,0.788675135,0.479743495,0.353960072,0.19245009,0.19245009,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,2,0,2,0,0,0,0,0,0,0,0,3,0,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.240740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.632638889,0,0,0.777083333,0.580555556,0,0.632638889,0,0,0,0,0,0,0,0,6.375,0,0,0,4.240740741,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.074074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.243402778,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.041666667,0,0,0,2.074074074,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.328472222,0,0,0.290277778,0.290277778,0,0.328472222,0,0,0,0,0,0,0,0,2.166666667,0,0,0,2.166666667,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.33333333,1.888888889,0.328472222,2.166666667,0.243402778,0.717592593,4.246384259,0.615740741,0.166666667,1.231481481,0.615740741,0.166666667,1.231481481,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.61349,0.76891,5.69868,1.0852,0.18087,2.19337,0.36556,2.77005,0.57668,0.09611,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.99107606,2.821888196,2.821888196,2.521052779,2.006349306,16.52932501,35.83936908,50.79398752,50.79398752,45.37895002,36.11428751,0.220218789,0.477484861,0.676723969,0.676723969,0.604579885,0.481147576,3.251629167,2.178848942,1.348036806,1.348036806,1.648872223,2.163575695,0.220218789,0.477484861,0.676723969,0.676723969,0.604579885,0.481147576,6.73287657,14.84279915,16.90146519,15.68011242,14.051801,8.440120483,23.69925001,16.64860504,15.1849632,16.39047709,13.9585639,10.54227292,6,3.2,5.333333333,6,2,5,2.12,0.911,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,2.48,5,3,2,0,0,0,0,0,0,21,1.945910149,2.079441542,1.945910149,1.609437912,0,0,0,0,0,0,3.401197382,1.380952381,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,109.6959078,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,84.09390038,4.671883355,10.67917749,1.779862916,0,0,0,32,3,3.278,20,1.207787903,2.100361854,2.947982166,3.639062618,4.735669249,5.494141844,0,0,0,0,72.17690586,74.65986587,67.65206521,60.72670214,37.25718223,5.582399738,0,0,0,0,273.0506657,325.3168428,361.4241615,346.3130712,391.9186158,170.7785009,0,0,0,0,8.780754928,14.9137832,20.7605907,25.26095102,32.98414071,36.91219419,0,0,0,0,2.074539246,2.682054333,3.216704496,3.255513208,4.062416973,2.442766365,0,0,0,0,173.4736885,327.5343341,471.4200003,610.350788,782.6961351,1015.96381,0,0,0,0,2.885111109,4.051419395,5.430808908,5.67667453,7.661047392,5.494141844,0,0,0,0,0.430317172,0.565457091,0.686932721,0.703151175,0.887464564,0.562600125,0,0,0,0,290.9934229,107.7280351,8.7208499,76.48312035,-28.31464777,-4.822964846,214.5103026,136.0426829,13.54381475,0.791869381,0.293156222,0.023731719,0.208130619,-0.077051579,-0.013124552,106.9332572,39.58752596,3.204707776,28.10575269,-10.40496889,-1.77232645,0.154365035,0.245231668,2.677258677,4.041195557,367.4765433,0,1,0,330.8262414,18.18862945,6.916185774,451.1290942,21.23979977,7.669498123,493.4639078,22.21404753,7.902268791,1.787213443,1.691654732,328.4409075,281.4143118,70.50675833,1.167108046,4.658289719,3.991309747,3.736027053,3.460969306,6.770815545,0.956335045,4.955501148,3.900248979,1.92771872,11.86144102,5.942648827,5.121935331,2.496637685,6.344842851,6.278591302,1.189870205,3.698592824,7.10E-04,0.005234147,8.09E-24,2.41E-66,1.39E-130,1.54E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,0.415887721,3.894586062,0.157774023,5.04727075,0.618599592,0.348809216,0.546359982,1.013533901,1.154143548,0.080803917,0.096801595,5.00E-06,3.69E-05,5.70E-26,1.70E-68,9.78E-133,1.08E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,1.342519603,3.894964577,0.511953478,5.555828094,1.117056026,1.178818242,0.914619821,1.48014777,1.769417861,0.273399882,0.453231625,5.21E-05,3.84E-04,5.94E-25,1.77E-67,1.02E-131,1.13E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,4.677589267,3.899627278,1.816850817,11.13213263,5.408594881,4.778683736,2.366689006,5.798555392,5.812496605,1.110020848,3.344096636,6.32E-04,0.004663531,7.21E-24,2.15E-66,1.24E-130,1.37E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,1.97862334,3.895455244,0.757195893,6.166927741,1.63390786,1.791435445,1.176276816,1.985035393,2.319678443,0.415643364,0.810375017,1.13E-04,8.34E-04,1.29E-24,3.85E-67,2.21E-131,2.46E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,5.984483754,3.902863122,2.341066163,14.91616433,8.156314233,6.450798384,2.98976251,8.617189065,8.177345849,1.499088296,5.1632763,0.001034886,0.007633511,1.18E-23,3.52E-66,2.02E-130,2.25E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,2.70614284,3.314883459,1.019261694,7.251988758,2.397874285,2.57468769,1.41302939,2.759780656,3.166401717,0.597523324,1.294566571,1.99E-04,0.00146701,2.27E-24,6.77E-67,3.89E-131,4.32E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,4.251481683,1.293617751,0.465455027,0.707336022,0.215224362,0.554061509,0.489191181,0.315764205,6.010554462,8.080786584,16.65124696,0.561004033,1.359016895,3.210578661,0.69903583,0.141872272,0.792444564,0.1725381,0.316077532,0.14177247,0.029179644,4.051486762,2.798975406,7.168867457,0.688666846,0.487029647,3.623970343,0.934362735,0.271231784,0.75037202,0.193467271,0.402646529,0.253827532,0.107130881,4.829564863,4.622467658,10.37045124,0.62555803,0.763604942,4.225709952,1.278830601,0.457512912,0.708767537,0.21449499,0.547367898,0.477960045,0.305090855,5.962053465,7.922365576,16.35680381,0.563151306,1.330418799,3.808245823,1.039663119,0.328477356,0.735695832,0.200847282,0.444609294,0.314729531,0.157239475,5.176386298,5.551721042,12.02864535,0.603543748,0.9165783,4.332166592,1.339926716,0.490304824,0.703000114,0.217435921,0.575280665,0.525223831,0.350334157,6.162398133,8.58584047,17.59435306,0.554500172,1.450838653,4.229389747,1.279435934,0.456834715,0.708955835,0.214466773,0.548331579,0.478392186,0.304134618,5.965660396,7.92785603,16.36555561,0.563433752,1.330858383 +UMLS0270,L,trans-4-methyl-2-pentene,C/C=C/C(C)C,172092,Sandia values from independent api report ,Sandia,,C6H12,PubChem,,15.4,0,0.8664,0.75064896,38.2621,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1311.595663,1079.624285,824.449924,640.730667,472.25237,160.526016,18.289152,3885.475125,4800.404174,6060.218294,5920.800911,4660.75529,3541.508989,2888.518855,1843.095563,559.5073998,167.819552,166.665724,297.509884,364.647092,353.114896,230.562156,208.786376,186.188544,120.932352,29.42500648,37.33900896,51.13810539,53.57138587,44.09317182,32.40798963,27.39200101,20.03172529,8.003032287,3973.037281,3337.521256,6596.59581,8434.838505,8625.995192,5419.19096,4986.151509,4611.235353,3328.517736,42.27777778,49.66666667,73.33333333,87.25,75.33333333,51.33333333,45,39,18,48.76541633,52.3287937,31.22846817,20.76200548,16.16568478,19.41608082,15.74174567,5.945408,1.016064,161.8947969,208.713225,144.2909118,113.861556,91.38735863,107.3184542,96.28396182,68.26279863,31.08374443,6.992481333,7.246335826,7.083568667,7.012444077,6.92382149,6.986732,6.959545867,6.895872,6.718464,1.226041937,1.623435172,1.217573938,1.030218959,0.864571996,0.982060292,0.9130667,0.741915752,0.444612905,165.54322,145.1096198,157.061805,162.2084328,169.1371606,164.2179079,166.2050503,170.7864946,184.917652,1.761574074,2.15942029,1.746031746,1.677884615,1.477124183,1.555555556,1.5,1.444444444,1,0.047419015,-0.005591747,-0.014505473,-0.00860333,0.002429814,-0.004499316,0.004076257,-0.006750855,0.009735142,645.6853813,-53.80711511,-121.066009,-228.6802392,121.066009,-80.71067267,-80.71067267,-121.066009,242.132018,1200.679538,-100.0566282,-225.1274134,-425.2406698,225.1274134,-150.0849423,-150.0849423,-225.1274134,450.2548269,0.126485333,-0.010540444,-0.023716,-0.044796889,0.023716,-0.015810667,-0.015810667,-0.023716,0.047432,5.367596186,-0.447299682,-1.006424285,-1.901023649,1.006424285,-0.670949523,-0.670949523,-1.006424285,2.01284857,29.15686767,-2.429738973,-5.466912688,-10.32639063,5.466912688,-3.644608459,-3.644608459,-5.466912688,10.93382538,3.939814815,-1.222415123,0.133101852,-1.152006173,0.500578704,-0.85474537,0.658564815,-1.286458333,1.253472222,0.001975792,-2.43E-04,-3.45E-04,-1.65E-04,4.76E-05,-1.36E-04,1.36E-04,-2.50E-04,5.41E-04,26.90355756,-2.339439787,-2.882524024,-4.397696908,2.373843314,-2.44577796,-2.690355756,-4.483926259,13.45177878,50.0283141,-4.350288182,-5.36017651,-8.177705189,4.414263009,-4.548028554,-5.00283141,-8.33805235,25.01415705,0.005270222,-4.58E-04,-5.65E-04,-8.61E-04,4.65E-04,-4.79E-04,-5.27E-04,-8.78E-04,0.002635111,0.223649841,-0.019447812,-0.023962483,-0.036558147,0.01973381,-0.020331804,-0.022364984,-0.037274974,0.111824921,1.214869486,-0.105640825,-0.130164588,-0.198584435,0.107194366,-0.110442681,-0.121486949,-0.202478248,0.607434743,0.164158951,-0.053148484,0.003169092,-0.022153965,0.009815269,-0.025901375,0.02195216,-0.047646605,0.069637346,-0.123049078,-0.17479996,-0.083737873,0.024113575,-0.069006695,0.068769991,-0.126547552,0.27373385,-0.086956522,-0.107142857,-0.163461538,0.088235294,-0.090909091,-0.1,-0.166666667,0.5,-0.086956522,-0.107142857,-0.163461538,0.088235294,-0.090909091,-0.1,-0.166666667,0.5,-0.086956522,-0.107142857,-0.163461538,0.088235294,-0.090909091,-0.1,-0.166666667,0.5,-0.086956522,-0.107142857,-0.163461538,0.088235294,-0.090909091,-0.1,-0.166666667,0.5,-0.086956522,-0.107142857,-0.163461538,0.088235294,-0.090909091,-0.1,-0.166666667,0.5,-0.323762326,0.019305019,-0.134954352,0.059791249,-0.157782288,0.133725029,-0.290246769,0.424206816,1.448500011,1.223587123,1.180904749,0.97214873,1.15673747,0.691557364,0.792153618,1.81E-07,1.5,1.232142857,1.161057692,0.761029412,1.045454545,1.00625,0.958333333,0,1.5,1.232142857,1.161057692,0.761029412,1.045454545,1.00625,0.958333333,0,1.5,1.232142857,1.161057692,0.761029412,1.045454545,1.00625,0.958333333,0,1.5,1.232142857,1.161057692,0.761029412,1.045454545,1.00625,0.958333333,0,1.5,1.232142857,1.161057692,0.761029412,1.045454545,1.00625,0.958333333,0,1.74853114,0.961389961,1.20997921,0.823529412,1.076167076,0.664864865,1.297297297,0,37.24512115,18.62256057,29.17914924,37.24512115,4.655640143,18.6225606,-1.78E-14,0.021136463,0.002642058,-3.085404494,29.39493103,3.674366379,2.704657796,37.24512115,18.62256057,29.17914924,37.24512115,4.655640143,18.6225606,-1.78E-14,0.021136463,0.002642058,-3.085404494,29.39493103,3.674366379,2.704657796,37.24512115,18.62256057,29.17914924,37.24512115,4.655640143,18.6225606,-1.78E-14,0.021136463,0.002642058,-3.085404494,29.39493103,3.674366379,2.704657796,37.24512115,18.62256057,29.17914924,37.24512115,4.655640143,18.6225606,-1.78E-14,0.021136463,0.002642058,-3.085404494,29.39493103,3.674366379,2.704657796,37.24512115,18.62256057,29.17914924,37.24512115,4.655640143,18.6225606,-1.78E-14,0.021136463,0.002642058,-3.085404494,29.39493103,3.674366379,2.704657796,37.24512115,18.62256057,29.17914924,37.24512115,4.655640143,18.6225606,-1.78E-14,0.021136463,0.002642058,-3.085404494,29.39493103,3.674366379,2.704657796,44.13046355,21.959329,34.62721926,43.97160939,5.496451173,21.959329,-0.211805556,0.08399032,0.01049879,-1.981642982,39.28357366,4.910446708,2.936645167,0,11.89,12.11011416,-0.163253098,0.05768266,5.211368943,7.654976521,7,23,22,22,6,1,1,0,0,1,17.491312,3.549970511,3.237979762,2.738050812,2.333552793,2.085309633,1.531119477,1.022943612,0.743438454,1.90839194,1.726732821,1.382538319,1.249629723,0.98455714,0.671977441,0.388113459,0.259039647,3.572884245,3.270575022,2.783968208,2.405454588,2.15259424,1.624232497,1.140504847,0.880878983,1.853491834,1.655349249,1.294411248,1.134540686,0.86803925,0.534852841,0.231396038,0.091700267,3.675777521,3.415190765,2.983000265,2.704236987,2.43964273,2.006041526,1.610146726,1.414336636,1.696742182,1.444212249,1.021918801,0.76031856,0.494641653,0.076454444,0.305343905,0.491918242,3.589878348,3.29467421,2.817689026,2.457539916,2.20181141,1.69147161,1.224664751,0.978229603,1.81894397,1.609741237,1.237093929,1.058262671,0.79118034,0.443010237,0.125533205,0.022024677,3.727169636,3.48602247,3.077358047,2.838982085,2.572271861,2.17446728,1.811298927,1.636541247,1.649372699,1.378404738,0.933160865,0.631337262,0.368626138,0.086133762,0.501430801,0.71038417,3.601143237,3.31122945,2.900971687,2.591598066,2.255865716,1.755848829,1.282988812,1.116861525,1.817346218,1.568981611,1.1407539,0.917179462,0.701486893,0.343547193,0.035291273,0.173195508,0,0,0,2,0,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.144337567,0.23570226,0.136082763,0.096225045,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,6.14626437,3.419885524,2.509201922,1.009856211,0.535057239,0.288675135,0.19245009,0,0.768283046,0.488555075,0.358457417,0.201971242,0.13376431,0.096225045,0.096225045,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,6,2,0,2,0,0,0,0,0,0,0,0,3,0,2,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.476851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.581388889,0,0,1.518611111,0.580555556,0,0.581388889,0,0,0,0,0,0,0,0,6.635740741,0,2.403333333,0,4.476851852,0,0.817407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.222222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.285069444,0,0,0.225625,0.290277778,0,0.285069444,0,0,0,0,0,0,0,0,2.163518519,0,1.173333333,0,2.222222222,0,0.817407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.296319444,0,0,0.290277778,0.290277778,0,0.296319444,0,0,0,0,0,0,0,0,2.236111111,0,1.23,0,2.25462963,0,0.817407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,1.791666667,0.296319444,2.25462963,0.225625,0.817407407,5.625963333,0.515925926,0.25462963,2.225185185,0.515925926,0.25462963,2.225185185,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.375,0.125,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.20553,0.90069,8.40872,1.2032,0.1504,3.22715,0.40339,3.77005,0.54289,0.06786,0.14395,0.01799,0.14395,0.01799,0,7,0,0,0,0,0,0,0.75,0.918295834,1.91588515,2.812907292,3.323934896,3.188721876,2.914348438,22.03910002,45.98124361,67.509775,79.77443751,76.52932501,69.94436251,0.200284263,0.417862774,0.613507153,0.724964467,0.695473927,0.635631903,3.666666667,2.66907735,1.772055209,1.261027604,1.396240625,1.670614063,0.200284263,0.417862774,0.613507153,0.724964467,0.695473927,0.635631903,6.73287657,14.72064472,17.80245923,18.31748564,17.26519999,15.80474791,31.59900002,22.01412127,19.04248125,17.86340886,19.34774479,17.43734375,8,5.142857143,7.2,8,2,7,2.34,1.1928,0.721124785,4.146039495,1.754410643,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,3.478,7,5,4,3,2,0,0,0,0,36,2.197224577,2.302585093,2.197224577,2.197224577,1.945910149,1.609437912,0,0,0,0,3.951243719,1.416666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,0,144.287877,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,112.1252005,4.671883355,14.66595917,1.833244896,0,0,0,79,5,4.315,28,1.215965585,2.115028537,2.926101425,3.617802185,4.836169409,5.857575512,6.787080776,7.699192464,0,0,74.79263279,75.63755977,70.75187446,73.33283901,109.6354571,105.0159996,43.20403215,7.822872292,0,0,279.8691712,332.7810193,359.8741565,378.5075595,568.9593187,607.0787884,484.8165472,239.3197309,0,0,8.847013805,15.04537529,20.57215106,25.17962779,33.92240438,40.88996226,46.90548673,51.7267474,0,0,2.115549923,2.744324695,3.171847306,3.436805827,5.069519077,5.631171678,5.207458509,3.423160326,0,0,174.2244977,327.6162671,470.9353468,602.1865805,784.295998,964.2619575,1150.965591,1423.716593,0,0,2.706304941,3.850008086,5.057506322,5.64729315,7.796398142,9.093342021,10.06071211,7.699192464,0,0,0.438421312,0.578418522,0.676680964,0.73820455,1.08378986,1.212076181,1.145448743,0.788397308,0,0,389.2816834,185.2173542,10.86715372,122.4296001,-58.25110089,-7.254632977,266.8520833,243.4684551,18.12178669,0.760744771,0.361956752,0.021236885,0.239255229,-0.113835873,-0.0141772,199.1998299,94.77781006,5.560845177,62.64860782,-29.8077456,-3.712277552,0.11959836,0.185337394,1.156197427,1.952584721,511.7112835,0,1,0,454.702734,21.32375985,7.68969631,614.9693592,24.79857575,8.50389376,714.3314761,26.7269803,8.939226245,2.060290521,2.060290521,801.4286276,751.5815704,83.61637547,1.066322884,9.584589419,8.988449526,4.549430143,4.679498509,9.283905119,0.983953003,6.549724976,5.745638303,2.773807877,20.90284615,9.782110048,6.374974331,4.793821443,6.714930058,9.18911281,1.890151566,4.253314538,8.300517078,2.8258369,6.088338161,1.000233042,3.761687623,3.16E-04,0.009375084,5.37E-23,5.93E-65,1.26E-128,5.18E-214,4.106E-321,0,0,0,0,0,0,0,0.549681346,5.73844075,0.226646441,6.870403746,1.014595452,0.484593965,0.772714873,0.195922083,3.211004829,0.151130704,0.186708081,1.156082737,0.119178495,1.191033777,0.007044811,0.091178433,2.23E-06,6.60E-05,3.78E-25,4.17E-67,8.89E-131,3.65E-216,3.0E-323,0,0,0,0,0,0,0,1.774418168,5.738921854,0.735688181,7.881325454,1.624689085,1.594286596,1.581522026,0.869604365,4.008609868,0.492351403,0.712994466,2.279954408,0.462459404,1.821757,0.073411672,0.442273733,2.32E-05,6.88E-04,3.94E-24,4.35E-66,9.26E-130,3.80E-215,3.0E-322,0,0,0,0,0,0,0,6.182406604,5.744848128,2.61402059,19.38811893,8.828085842,5.981589576,4.54341178,6.083421098,8.673616251,1.778825471,3.896887306,7.744819168,2.586127139,5.658016664,0.891189693,3.396135103,2.82E-04,0.008353031,4.78E-23,5.28E-65,1.12E-128,4.62E-214,3.656E-321,0,0,0,0,0,0,0,2.6151616,5.739545496,1.088362313,9.125604028,2.393729975,2.383568346,2.140301799,1.527138943,4.681635518,0.730671533,1.164476502,3.150765083,0.760228511,2.364269004,0.159459745,0.80150384,5.04E-05,0.001494598,8.56E-24,9.45E-66,2.01E-129,8.26E-215,6.5E-322,0,0,0,0,0,0,0,7.909739574,5.748960851,3.36980181,27.25566462,13.78822606,7.868720119,5.725790369,9.317018907,11.26753449,2.307865241,5.695031095,10.49236066,3.797407133,7.829811587,1.458745603,5.275084779,4.61E-04,0.013672678,7.83E-23,8.64E-65,1.84E-128,7.56E-214,5.99E-321,0,0,0,0,0,0,0,3.759050731,4.930718779,1.574768549,11.35928048,3.974277864,3.462664118,3.057745288,2.569191252,5.398697589,1.010270281,1.856797471,4.312874472,1.225455701,3.554315814,0.311592693,1.433943493,9.84E-05,0.002920524,1.67E-23,1.85E-65,3.93E-129,1.61E-214,1.28E-321,0,0,0,0,0,0,0,7.987149537,1.16218767,0.505978547,0.827228207,0.12036765,0.583322622,0.482240706,0.346336709,9.655315754,13.91193506,28.26403042,0.74084231,1.411900037,6.554401597,0.595483739,0.151747525,0.897662444,0.081554873,0.392766494,0.122875805,0.0300489,7.301632861,4.988016969,12.88192642,0.846493666,0.545691199,7.12343668,0.819831062,0.293171566,0.864868472,0.099537073,0.46395035,0.235950831,0.114335115,8.236439308,8.168754903,18.11732046,0.797302708,0.814236296,7.951678189,1.148098126,0.497268883,0.828554834,0.119630376,0.578151306,0.470328014,0.334348332,9.597045197,13.65434243,27.79110783,0.742832251,1.382827652,7.377081697,0.920191133,0.355848188,0.852534211,0.106342108,0.497589983,0.298853364,0.169480136,8.653121018,9.740894666,20.80962889,0.778801316,0.965923483,8.098201012,1.206311078,0.53323322,0.823176526,0.122620686,0.599661576,0.520538887,0.385226878,9.83774531,14.73042453,29.77729829,0.73476479,1.505427342,7.960907429,1.149395693,0.497318035,0.828603387,0.119633744,0.57950529,0.471410535,0.334336223,9.607621157,13.68095076,27.83914767,0.74290508,1.385252048 +UMLS0271,L,6-methyl-3-heptene,CCC=CCC(C)C,175694, (trans) reported; [9] has RON of 91.3,UML,[1],C8H16,PubChem,,11.4,0,0.3292,0.10837264,21.936,15.46793,0,0,15,5,10,0,5,0,0,0,0,0,0,0,0,0,731.481245,842.391485,777.88234,373.368409,90.93168,9.144576,0,0,0,2428.421953,3264.950672,3747.43968,2830.697185,1247.927098,279.7536999,0,0,0,104.88722,108.8789,191.073424,209.560996,163.638144,60.466176,0,0,0,18.39062905,25.0799431,32.08459929,27.72343953,14.68429815,4.001516144,0,0,0,2483.148301,2165.197258,4251.561752,4917.094387,4247.253023,1664.258868,0,0,0,23.80555556,28.77777778,41.33333333,44,30,9,0,0,0,48.76541633,56.15943233,28.81045704,12.44561363,3.78882,1.016064,0,0,0,161.8947969,217.6633782,138.7940622,94.35657284,51.99696242,31.08374443,0,0,0,6.992481333,7.258593333,7.076793481,6.985366533,6.818256,6.718464,0,0,0,1.226041937,1.671996207,1.188318492,0.924114651,0.611845756,0.444612905,0,0,0,165.54322,144.3464838,157.4652501,163.9031462,176.9688759,184.917652,0,0,0,1.587037037,1.918518519,1.530864198,1.466666667,1.25,1,0,0,0,0.019684929,-0.003067391,-0.00413249,-0.010474672,0.003000583,0.004831506,0,0,0,403.5533633,9.24E-14,-121.066009,-282.4873543,80.71067267,121.066009,0,0,0,750.4247115,2.70E-13,-225.1274134,-525.297298,150.0849423,225.1274134,0,0,0,0.079053333,1.13E-15,-0.023716,-0.055337333,0.015810667,0.023716,0,0,0,3.354747616,-1.33E-15,-1.006424285,-2.348323331,0.670949523,1.006424285,0,0,0,18.22304229,5.46E-14,-5.466912688,-12.75612961,3.644608459,5.466912688,0,0,0,1.803703704,-0.894444444,0.195925926,-0.407407407,-0.197037037,0.401111111,0,0,0,0.001312329,-2.04E-04,-1.53E-04,-3.49E-04,1.25E-04,5.37E-04,0,0,0,26.90355756,6.16E-15,-4.483926259,-9.416245144,3.362944694,13.45177878,0,0,0,50.0283141,1.80E-14,-8.33805235,-17.50990993,6.253539262,25.01415705,0,0,0,0.005270222,7.55E-17,-8.78E-04,-0.001844578,6.59E-04,0.002635111,0,0,0,0.223649841,-8.88E-17,-0.037274974,-0.078277444,0.02795623,0.111824921,0,0,0,1.214869486,3.64E-15,-0.202478248,-0.42520432,0.151858686,0.607434743,0,0,0,0.120246914,-0.05962963,0.007256516,-0.013580247,-0.008209877,0.044567901,0,0,0,-0.155824354,-0.116628707,-0.266058155,0.095269041,0.409069783,0,0,0,2.29E-16,-0.166666667,-0.35,0.125,0.5,0,0,0,3.60E-16,-0.166666667,-0.35,0.125,0.5,0,0,0,1.43E-14,-0.166666667,-0.35,0.125,0.5,0,0,0,-3.97E-16,-0.166666667,-0.35,0.125,0.5,0,0,0,3.00E-15,-0.166666667,-0.35,0.125,0.5,0,0,0,-0.495893224,0.060346794,-0.112936345,-0.068275154,0.37063655,0,0,0,1.553159505,1.089843159,1.220517292,0.65255514,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.4,1.244444444,1.26,0.525,0,0,0,0,1.983572895,0.750627424,1.056468172,0.970225873,0,0,0,0,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,13.27503896,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,2.66E-15,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,16.09969296,7.963735371,12.18440096,15.99635963,3.199271926,7.964405848,-0.172222222,2.22E-16,4.44E-17,-18.02182669,2000007,400001.4,7.254330619,0,11.89,12.11005553,-0.161877421,0.059222037,5.239054887,6.635107239,5,15,15,15,5,0,0,0,0,0,10.93207,3.722321007,2.627204026,2.240212372,1.208534506,0.921221809,0.083923071,0.083923071,0.083923071,1.653785103,1.546192531,1.106628577,0.726794591,0.266477566,0.083923071,0.083923071,0.083923071,3.74308453,2.683901841,2.310574874,1.315494198,1.040395973,0.270913902,0.270913902,0.270913902,1.580851254,1.463800908,0.99385857,0.601618755,0.098752419,0.270913902,0.270913902,0.270913902,3.835216298,2.926268482,2.6051496,1.749788554,1.520567748,0.943918427,0.943918427,0.943918427,1.367526455,1.217206733,0.629137905,0.191472921,0.487945466,0.943918427,0.943918427,0.943918427,3.758420311,2.725363301,2.361691163,1.392521882,1.126052294,0.399277246,0.399277246,0.399277246,1.534429758,1.410875787,0.919258293,0.518431346,0.01533246,0.399277246,0.399277246,0.399277246,3.880688851,3.039124258,2.738836715,1.938747012,1.727081239,1.207644823,1.207644823,1.207644823,1.302051637,1.13971065,0.504312344,0.048864215,0.708684885,1.207644823,1.207644823,1.207644823,3.71925211,2.907852171,2.514953356,1.485553894,1.229734549,0.612244898,0.612244898,0.612244898,1.466343188,1.329987955,0.774656395,0.405937409,0.180803358,0.612244898,0.612244898,0.612244898,0,0,0,0,0,2,1,2,0,0.23570226,0.471404521,0.23570226,0,0,0.23570226,0.471404521,0.23570226,0,0,0.471404521,0,0,0,0.471404521,0,0,0,0.471404521,0,0,0.471404521,0,0,3.86180732,2.304530453,2.190270029,1.276142375,0.23570226,0,0,0,0.772361464,0.460906091,0.312895718,0.255228475,0.23570226,0,0,0,3.86180732,2.304530453,2.190270029,1.276142375,0.23570226,0,0,0,0.772361464,0.460906091,0.312895718,0.255228475,0.23570226,0,0,0,7.709139019,14.43918427,13.62745098,13.8,8.992772455,115.1412754,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.6623,22.945,9.772386304,15.00845428,19.54477261,3.908954521,9.772493789,4.44E-16,8.88E-17,-17.6752531,2000006.919,400001.3839,7.254330599,22,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,4.592592593,0,1.472222222,0,0,0,2.101851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.296296296,0,1.472222222,0,0,0,1.050925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.296296296,0,1.472222222,0,0,0,1.050925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.166666667,1.633333333,0.2,2.296296296,0.2,1.050925926,3.586898148,0.282407407,0.296296296,1.185185185,0.282407407,0.296296296,1.185185185,2.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.4,0.4,0,2.5,0.5,2.5,0.5,0,0,-2.5,-0.5,0,0,3.9223,0.78446,3.9223,0,0,2.30452,0.4609,2.30452,0,0,0.10948,0.0219,0.19548,0.0391,0.2,5,0,0,0,0,0,0,1,0.918295834,1.425605199,2.339572262,2.339572262,2.339572262,1.691527476,13.77443751,21.38407799,35.09358393,35.09358393,35.09358393,25.37291214,0.235045188,0.364895091,0.598832295,0.598832295,0.598832295,0.432960032,2.988594762,2.481285397,1.567318334,1.567318334,1.567318334,2.215363119,0.235045188,0.364895091,0.598832295,0.598832295,0.598832295,0.432960032,6.73287657,12.82058895,13.74170783,13.74170783,13.74170783,5.965170405,19.74937501,14.76455615,15.58777522,15.58777522,15.58777522,9.373994032,3.2,0.734693878,0.444444444,0,0,0,2.01,0.7045,0.333333333,1,2.828427125,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,2.169,7,5,1,0,0,0,0,0,0,23,1.791759469,2.079441542,1.791759469,0.693147181,0,0,0,0,0,0,3.17805383,1,0.333333333,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,0,2,3,0.5,1.5,1.222222222,0,0,0,0,0,0,0,0,0.3,0.305555556,0,0,0,0,0,0,0,0,0.605555556,6.637519479,10.05173304,13.27503896,2.655007792,6.640382145,6.66E-16,1.33E-16,-17.47252055,2000008.452,400001.6905,7.254330982,0,82.67992313,3.321928095,3.218875825,4.007333185,4.844187086,5.666426688,6.502790046,7.333676396,8.168769824,9.001962273,9.836439218,68.58046054,2.397895273,1.945910149,3.663561646,3.931825633,5.153291594,5.733341277,6.741700695,7.458762692,8.373553741,8.9226583,70.07825032,4.671883355,9.115918943,1.823183789,0,0,0,16,1,2.723,24,1.222391529,2.127474007,2.933843667,3.567674987,4.661122714,0,0,0,0,0,79.23825166,69.97511254,40.99353824,15.37617334,4.735998989,0,0,0,0,0,290.8117196,320.1538369,290.9267516,199.5287805,144.8851472,0,0,0,0,0,8.906727723,15.11237731,20.53118454,24.39222336,31.31558515,0,0,0,0,0,2.178076375,2.68016243,2.801233949,2.294982078,2.07239531,0,0,0,0,0,174.3383021,330.9223839,478.1127429,626.0384598,861.923868,0,0,0,0,0,2.388383279,3.37593573,4.405581826,4.627197283,4.661122714,0,0,0,0,0,0.450622235,0.566314343,0.605524405,0.511120187,0.477298966,0,0,0,0,0,258.5403781,65.29772049,6.421420651,74.18736879,-18.73698069,-3.909726339,184.3530093,84.03470118,10.33114699,0.777032816,0.1962497,0.019299324,0.222967184,-0.05631325,-0.011750527,86.0235575,21.72636342,2.136584825,24.68419607,-6.234313368,-1.300874436,0.118309378,0.245800883,2.130438058,6.933905347,332.7277469,0,1,0,337.1021736,18.36034242,6.95964655,435.9231885,20.87877363,7.582341206,437.4125349,20.91440974,7.5909665,1.3744682,1.149180924,159.8669389,137.9465698,48.69800709,1.158904778,3.282823024,2.832694355,3.030342609,3.271137252,5.404942442,0.65231295,3.582622559,3.981515384,1.952535141,8.853428551,4.464474872,8.15163587,2.07117138,3.759909592,1.397979348,0.405111098,4.19E-16,8.35E-53,3.21E-111,2.38E-191,3.40E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300664723,3.980831391,0.138722924,3.789048242,0.057626768,0.258707544,0.046421986,0.166889694,0.009846083,0.002853231,2.95E-18,5.88E-55,2.26E-113,1.68E-193,2.40E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.970582286,3.980877351,0.464379852,4.326311874,0.394936654,1.115136174,0.211916495,0.636692279,0.102603775,0.029732863,3.07E-17,6.13E-54,2.36E-112,1.75E-192,2.50E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.381703452,3.981440377,1.825723642,8.367751098,3.995795353,7.401453436,1.859554238,3.446691223,1.24557443,0.360946695,3.73E-16,7.44E-53,2.86E-111,2.12E-191,3.03E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.430459692,3.98093671,0.701170091,4.842542998,0.793424595,1.927129568,0.399100238,1.037468106,0.222869109,0.064583751,6.68E-17,1.33E-53,5.12E-112,3.79E-192,5.43E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.326535577,3.981830719,2.439968076,10.85109926,6.425615005,11.23236293,2.954229652,5.025501715,2.038821494,0.590816464,6.11E-16,1.22E-52,4.68E-111,3.47E-191,4.96E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.268380059,3.443103566,0.957852987,6.131332521,1.718159286,3.793376457,0.881509036,2.093967911,0.524023912,0.15185339,1.57E-16,3.13E-53,1.20E-111,8.92E-192,1.28E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.576984371,0.932254957,0.589632537,0.628705765,0.22744184,0.530375559,0.374789979,0.430913273,4.098871865,4.471568142,9.986977019,0.443058647,1.336078812,1.777271089,0.505333729,0.190986447,0.718498288,0.204291524,0.25143584,0.110130722,0.046823215,2.473591265,1.334061611,3.979180673,0.577747432,0.408389776,2.093919083,0.674889894,0.350290988,0.671321569,0.216373281,0.349255648,0.196426046,0.155617264,3.119099965,2.383053658,5.997172526,0.506982354,0.701298958,2.557099226,0.921685299,0.579849971,0.630039297,0.227092462,0.522154787,0.366339882,0.417143554,4.058634497,4.374013873,9.79926242,0.445058946,1.305638223,2.23551371,0.750469432,0.420846619,0.656185917,0.220283808,0.398338022,0.242880877,0.223183463,3.406829761,2.934325614,7.047203311,0.484278875,0.864402361,2.639261713,0.965345817,0.620236792,0.624700347,0.228492636,0.556548368,0.401868136,0.475337303,4.224844323,4.783510467,10.58859425,0.43705052,1.433753807,2.572882982,0.922915686,0.580543859,0.631174384,0.226407786,0.528660011,0.367318617,0.417902829,4.076342527,4.404018512,9.858893818,0.446761575,1.313881457 +UMLS0272,L,"cis-1,2-dimethylcyclopropane",C[C@@H]1C[C@@H]1C,252321,Sandia values from independent api report ,Sandia,,C5H10,PubChem,,16.1,0,-0.3196,0.10214416,23.4283,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,1010.869782,994.788989,683.148315,331.036441,76.792464,6.096384,0,0,2914.106344,3917.940807,4859.37628,4072.221305,2558.253186,1071.022993,186.5024666,0,0,125.864664,130.65468,241.319732,292.225836,221.401252,143.083584,40.310784,0,0,22.06875486,30.09593172,41.55476515,38.41629999,25.93693972,12.68152803,2.667677429,0,0,2979.777961,2598.236709,5297.091394,6988.064515,5414.110108,3724.295171,1109.505912,0,0,26.77777778,32.83333333,51.41666667,56.41666667,43,24.5,6,0,0,48.76541633,56.15943233,29.25849968,16.26543607,10.34488878,3.656784,1.016064,0,0,161.8947969,217.6633782,142.9228318,96.95765012,79.94541207,51.00109489,31.08374443,0,0,6.992481333,7.258593333,7.097639176,6.957758,6.918789125,6.813504,6.718464,0,0,1.226041937,1.671996207,1.222198975,0.914673809,0.810529366,0.603882287,0.444612905,0,0,165.54322,144.3464838,155.7968057,166.3824885,169.1909409,177.3473891,184.917652,0,0,1.487654321,1.824074074,1.512254902,1.343253968,1.34375,1.166666667,1,0,0,0.024502509,-0.001664549,-0.012035411,-0.001427524,-0.003847163,0.003090493,0.003632899,0,0,484.264036,4.90E-13,-228.6802392,-80.71067267,-94.16245144,80.71067267,80.71067267,0,0,900.5096538,2.98E-13,-425.2406698,-150.0849423,-175.0990993,150.0849423,150.0849423,0,0,0.094864,1.36E-15,-0.044796889,-0.015810667,-0.018445778,0.015810667,0.015810667,0,0,4.025697139,3.16E-15,-1.901023649,-0.670949523,-0.782774444,0.670949523,0.670949523,0,0,21.86765075,6.53E-14,-10.32639063,-3.644608459,-4.252043202,3.644608459,3.644608459,0,0,1.49382716,-0.351851852,-0.577846365,0.252057613,-0.347050754,0.072016461,0.205761317,0,0,0.00136125,-9.25E-05,-3.54E-04,-3.40E-05,-1.20E-04,1.47E-04,6.05E-04,0,0,26.90355756,2.72E-14,-6.725889389,-1.921682683,-2.942576608,3.843365365,13.45177878,0,0,50.0283141,1.66E-14,-12.50707852,-3.573451007,-5.471846854,7.146902014,25.01415705,0,0,0.005270222,7.55E-17,-0.001317556,-3.76E-04,-5.76E-04,7.53E-04,0.002635111,0,0,0.223649841,1.76E-16,-0.05591246,-0.015974989,-0.024461701,0.031949977,0.111824921,0,0,1.214869486,3.63E-15,-0.303717372,-0.086776392,-0.13287635,0.173552784,0.607434743,0,0,0.082990398,-0.019547325,-0.016995481,0.006001372,-0.010845336,0.003429355,0.034293553,0,0,-0.067933829,-0.260042268,-0.024968705,-0.088318674,0.10811115,0.444799184,0,0,1.01E-15,-0.25,-0.071428571,-0.109375,0.142857143,0.5,0,0,3.31E-16,-0.25,-0.071428571,-0.109375,0.142857143,0.5,0,0,1.43E-14,-0.25,-0.071428571,-0.109375,0.142857143,0.5,0,0,7.86E-16,-0.25,-0.071428571,-0.109375,0.142857143,0.5,0,0,2.99E-15,-0.25,-0.071428571,-0.109375,0.142857143,0.5,0,0,-0.23553719,-0.204788527,0.07231405,-0.130681818,0.041322314,0.41322314,0,0,1.484849327,1.323889801,0.90558118,0.983166393,0.559018976,0.004221038,0,0,1.416666667,1.375,0.961309524,0.9296875,0.505952381,0,0,0,1.416666667,1.375,0.961309524,0.9296875,0.505952381,0,0,0,1.416666667,1.375,0.961309524,0.9296875,0.505952381,0,0,0,1.416666667,1.375,0.961309524,0.9296875,0.505952381,0,0,0,1.416666667,1.375,0.961309524,0.9296875,0.505952381,0,0,0,1.72107438,1.111053719,0.718786895,1.200251808,0.74512987,0,0,0,19.94251632,9.971258159,15.55420338,19.94251632,3.32375272,9.97139041,1.24E-14,0.094108588,0.015684765,-1.417983583,78.21676672,13.03612779,2.61569042,19.94251632,9.971258159,15.55420338,19.94251632,3.32375272,9.97139041,1.24E-14,0.094108588,0.015684765,-1.417983583,78.21676672,13.03612779,2.61569042,19.94251632,9.971258159,15.55420338,19.94251632,3.32375272,9.97139041,1.24E-14,0.094108588,0.015684765,-1.417983583,78.21676672,13.03612779,2.61569042,19.94251632,9.971258159,15.55420338,19.94251632,3.32375272,9.97139041,1.24E-14,0.094108588,0.015684765,-1.417983583,78.21676672,13.03612779,2.61569042,19.94251632,9.971258159,15.55420338,19.94251632,3.32375272,9.97139041,1.24E-14,0.094108588,0.015684765,-1.417983583,78.21676672,13.03612779,2.61569042,19.94251632,9.971258159,15.55420338,19.94251632,3.32375272,9.97139041,1.24E-14,0.094108588,0.015684765,-1.417983583,78.21676672,13.03612779,2.61569042,22.22801175,11.05927281,17.35765536,22.19714755,3.699524592,11.05931691,-0.092592593,0.050432742,0.008405457,-1.792268807,33.19193019,5.531988364,2.101384068,0,11.9,12.1000824,-0.151150994,0.048945128,5.211620956,7.351754728,6,18,18,18,6,0,0,0,0,0,13.118484,3.66123709,2.947397233,2.028500884,2.028500884,1.453447379,0.86218685,0.083923071,0.083923071,2.013477319,1.571604744,0.944577813,0.944577813,0.664468809,0.339025397,0.083923071,0.083923071,3.684870543,2.991651137,2.095899225,2.095899225,1.554100302,0.996786096,0.270913902,0.270913902,1.96147511,1.485565036,0.824985323,0.824985323,0.520877953,0.175834373,0.270913902,0.270913902,3.788818317,3.183551516,2.386450742,2.386450742,1.962836792,1.516549614,0.943918427,0.943918427,1.809598475,1.221144991,0.442532316,0.442532316,0.037609723,0.392270658,0.943918427,0.943918427,3.702278805,3.024144174,2.145396886,2.145396886,1.626528939,1.091874627,0.399277246,0.399277246,1.928470285,1.429747571,0.746119641,0.746119641,0.424479662,0.065020044,0.399277246,0.399277246,3.839542072,3.274760456,2.521841838,2.521841838,2.141425708,1.732680308,1.207644823,1.207644823,1.762463114,1.135454037,0.314197015,0.314197015,0.135307452,0.604780447,1.207644823,1.207644823,3.698294313,3.173542061,2.259021986,2.226887655,1.764130022,1.255987971,0.642857143,0.642857143,1.913026081,1.270200488,0.619744798,0.591473257,0.251738369,0.125461841,0.642857143,0.642857143,0,0,0,0,0,1,4,1,0,0,0.204124145,0.144337567,0.144337567,0,0,0.204124145,0.144337567,0.144337567,0,0.204124145,0,0,0,0.204124145,0,0,0,0.49279928,0.288675135,0,0.49279928,0.288675135,0,4.405777394,2.931851653,2.205177354,1.802095141,0.696923425,0.288675135,0,0,0.734296232,0.488641942,0.315025336,0.225261893,0.174230856,0.144337567,0,0,4.405777394,2.931851653,2.205177354,1.802095141,0.696923425,0.288675135,0,0,0.734296232,0.488641942,0.315025336,0.225261893,0.174230856,0.144337567,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.1965,27.632,15.29995938,23.2522502,30.59991877,5.099986461,15.29995982,0.105194527,0.017532421,-1.351166405,19.93220677,3.322034461,1.795402112,36,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,1,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,2.281574074,0,5.936018519,0,0,0,1.115740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.281574074,0,1.416666667,0,0,0,1.115740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.281574074,0,1.510416667,0,0,0,1.115740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.333333333,1.555555556,0.2,2.281574074,0.2,1.115740741,4.320990741,0.217592593,0.281574074,0.604814815,0.217592593,0.281574074,0.604814815,3,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.16667,0.16667,0,3,0.5,3,0.5,0,0,-3,-0.5,0,0,4.98949,0.83158,4.98949,0,0,2.93185,0.48864,2.93185,0,0,-0.01785,-0.00297,0.06815,0.01136,0.222222222,6,0,0,0,0,0,0,1,0.918295834,1.335505557,2.350209029,2.905764585,3.016875696,2.626615808,16.52932501,24.03910002,42.30376252,52.30376252,54.30376252,47.27908455,0.220218789,0.320270882,0.563609424,0.696838572,0.723484402,0.629895216,3.251629167,2.834419445,1.819715972,1.264160417,1.153049306,1.543309193,0.220218789,0.320270882,0.563609424,0.696838572,0.723484402,0.629895216,6.73287657,11.73939324,15.20474235,16.98599792,15.8766257,14.15819006,23.69925001,19.03258335,16.91696043,15.16825487,16.09490487,13.82806654,4.166666667,1.632653061,0.75,2,0,2,2.12,0.8454,0,1.632993162,0.5,0,3.532775529,3.363585661,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,2.896,7,8,4,2,0,0,0,0,0,33,1.945910149,2.079441542,2.197224577,1.609437912,1.098612289,0,0,0,0,0,3.526360525,1,0.5,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,2,0.333333333,0,2,4,1,1,0.333333333,0.3125,0.111111111,0,0,0,0,0,0,0.166666667,0.066666667,0.104166667,0.111111111,0,0,0,0,0,0,0.448611111,9.971258159,15.55420338,19.94251632,3.32375272,9.97139041,0.094108588,0.015684765,-1.417983583,78.21676672,13.03612779,2.61569042,0,99.97590776,3.584962501,3.295836866,4.043051268,4.812184355,5.579729826,6.357842267,7.13009851,7.910223707,8.683554729,9.464129513,69.27665104,2.564949357,0,3.891820298,0,5.379897354,0,6.91671502,0,8.466531277,8.706655856,84.09390038,4.671883355,11.41204485,1.902007474,0,0,0,29,3,3.353,26,1.311437455,2.28660093,3.085309973,3.913654151,4.477230103,5.340505273,0,0,0,0,91.13285325,75.74431626,56.84036814,43.27316903,17.3404036,5.42629515,0,0,0,0,326.3009562,352.9845158,321.6584918,323.2521833,235.645732,166.0029011,0,0,0,0,9.575135187,16.29251979,21.53198799,27.11099138,30.54046876,35.87999242,0,0,0,0,2.414353997,2.957264633,2.970136134,3.242800035,2.76211126,2.374457563,0,0,0,0,185.8183859,351.6559959,508.4483739,659.6206869,791.249661,987.5536958,0,0,0,0,2.463505475,3.539899787,4.252426589,5.312508906,5.297038921,5.340505273,0,0,0,0,0.498388569,0.624592517,0.638956066,0.706825428,0.617162111,0.54686774,0,0,0,0,325.2383537,101.1004634,8.457590923,92.61627855,-28.7898047,-4.730991201,232.6220751,129.8902681,13.18858212,0.778352873,0.241951281,0.02024051,0.221647127,-0.068899092,-0.011322098,135.9023526,42.24529696,3.534043545,38.70014101,-12.02995325,-1.976866588,0.096099355,0.208877675,2.302365489,2.285984574,417.8546322,0,1,0,308.2044227,17.55575184,6.754807167,424.4488557,20.60215658,7.515221564,452.7412338,21.27771684,7.678623081,1.205365809,1.007047119,286.1781267,245.0486313,82.12876377,1.167842176,3.484505471,2.983712649,3.659892402,3.591328156,6.128151094,0.706374585,3.346806641,2.565447546,2.882931568,7.627683963,11.59988296,5.724730831,7.682143585,4.81719913,2.200551245,0.309570577,0.765839969,9.88E-07,9.74E-34,1.85E-82,6.78E-153,4.79E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.28087429,2.565218051,2.048424456,1.600722379,2.635838865,0.236958258,1.467956393,0.542262293,0.12838923,0.011529007,0.005393874,6.96E-09,6.86E-36,1.30E-84,4.77E-155,3.37E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.906696446,2.565233859,2.175519479,2.15819677,3.689264569,0.92536493,2.230880442,0.952194302,0.451545713,0.046739286,0.056208321,7.25E-08,7.15E-35,1.36E-83,4.97E-154,3.52E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.15911246,2.565422516,2.816544756,7.020718567,10.7764719,5.236029277,7.122877839,4.391811918,2.03838339,0.282258928,0.682349624,8.81E-07,8.67E-34,1.65E-82,6.04E-153,4.27E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336303737,2.565253926,2.275606763,2.74064093,4.642915789,1.526134408,2.904704436,1.370977185,0.703019932,0.078519036,0.122091984,1.58E-07,1.55E-34,2.95E-83,1.08E-153,7.64E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041753714,2.565552685,3.14610279,10.14523376,14.96043513,7.707602119,9.955909645,6.578061313,2.841079465,0.420986803,1.116905619,1.44E-06,1.42E-33,2.70E-82,9.89E-153,6.99E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.228358503,2.581340828,2.152510495,4.243034371,6.993591533,3.003510284,4.811970058,2.554847934,1.391579074,0.153061597,0.316495089,4.08E-07,4.02E-34,7.64E-83,2.80E-153,1.98E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.447399064,1.22338069,0.694789013,0.642503938,0.22800578,0.585361726,0.544504861,0.396973797,5.365568767,7.462687899,15.75851644,0.463755908,1.526840384,2.67372779,0.735800098,0.245981752,0.731424084,0.20128523,0.353126306,0.196505236,0.049618167,3.65550964,2.806010814,6.945447531,0.597136126,0.599249709,2.980737361,0.929656404,0.424295853,0.687647242,0.214468967,0.438269405,0.314189243,0.147845077,4.334689619,4.430225437,9.940664993,0.531470863,0.900303725,3.428220156,1.211328622,0.683683743,0.644010973,0.227555084,0.5788958,0.533828804,0.384370308,5.323232521,7.324685272,15.48705209,0.46601646,1.497094912,3.117704261,1.015973723,0.503750107,0.672291667,0.219081289,0.479229156,0.375392607,0.208503846,4.63742809,5.249846329,11.4829057,0.5084375,1.063125608,3.507450192,1.261107151,0.729554906,0.637937174,0.229370936,0.605840663,0.578599303,0.437744133,5.498112249,7.902194924,16.62732588,0.456905761,1.622184099,3.439737482,1.213337606,0.685574083,0.644308583,0.227274272,0.582704838,0.535684146,0.386570977,5.338649171,7.36359053,15.56352622,0.466462874,1.504959961 +UMLS0273,L,ethylcyclobutane,CCC1CCC1,252322,Sandia values from independent api report ,Sandia,,C6H12,PubChem,,-22.8,0,0.525,0.275625,35.3367,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1912.866323,1536.635695,716.597618,178.815168,18.289152,0,0,3885.475125,5223.921076,7983.759134,8343.0636,5761.955305,2402.602963,559.5073998,0,0,167.819552,174.20624,341.907212,472.656508,511.583816,307.120896,120.932352,0,0,29.42500648,40.12790896,64.52079401,74.29419331,58.99573411,28.03475758,8.003032287,0,0,3973.037281,3464.315612,7410.01833,10647.22523,12550.21632,7939.753089,3328.517736,0,0,37.83333333,45.77777778,75.47222222,104.3333333,101,57,18,0,0,48.76541633,56.15943233,39.85138173,22.93486112,9.683751595,3.9736704,1.016064,0,0,161.8947969,217.6633782,166.3283153,124.5233373,77.86426087,53.39117695,31.08374443,0,0,6.992481333,7.258593333,7.123066917,7.054574746,6.913294811,6.8249088,6.718464,0,0,1.226041937,1.671996207,1.344183209,1.108868557,0.79723965,0.622994613,0.444612905,0,0,165.54322,144.3464838,154.3753819,158.9138094,169.5975178,176.4389575,184.917652,0,0,1.576388889,1.907407407,1.572337963,1.55721393,1.364864865,1.266666667,1,0,0,0.031613547,-0.004458916,0.001436243,-0.019530593,-0.006205393,0.003291683,0.009660203,0,0,645.6853813,5.19E-13,40.35533633,-511.1675936,-215.2284604,121.066009,242.132018,0,0,1200.679538,-5.68E-14,75.04247115,-950.5379679,-400.2265128,225.1274134,450.2548269,0,0,0.126485333,2.94E-15,0.007905333,-0.100134222,-0.042161778,0.023716,0.047432,0,0,5.367596186,1.20E-14,0.335474762,-4.24934698,-1.789198729,1.006424285,2.01284857,0,0,29.15686767,-1.15E-13,1.822304229,-23.08252024,-9.718955891,5.466912688,10.93382538,0,0,2.791666667,-1.347222222,0.555555556,-0.842013889,0.003472222,-0.546875,0.78125,0,0,0.001317231,-1.86E-04,2.99E-05,-2.92E-04,-8.39E-05,7.31E-05,5.37E-04,0,0,26.90355756,2.16E-14,0.840736174,-7.629367068,-2.908492709,2.690355756,13.45177878,0,0,50.0283141,-2.37E-15,1.563384816,-14.18713385,-5.408466389,5.00283141,25.01415705,0,0,0.005270222,1.22E-16,1.65E-04,-0.001494541,-5.70E-04,5.27E-04,0.002635111,0,0,0.223649841,5.02E-16,0.006989058,-0.063423089,-0.024178361,0.022364984,0.111824921,0,0,1.214869486,-4.81E-15,0.037964671,-0.344515227,-0.131337242,0.121486949,0.607434743,0,0,0.116319444,-0.056134259,0.011574074,-0.012567371,4.69E-05,-0.012152778,0.043402778,0,0,-0.141044462,0.022715624,-0.221298593,-0.063661312,0.055532024,0.407428825,0,0,8.03E-16,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,-4.73E-17,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,2.32E-14,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,2.24E-15,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,-3.96E-15,0.03125,-0.28358209,-0.108108108,0.1,0.5,0,0,-0.482587065,0.099502488,-0.10804188,4.03E-04,-0.104477612,0.373134328,0,0,1.579552337,1.033206363,1.301947932,0.935283409,0.71234121,1.65E-08,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,1.4375,1.16796875,1.351679104,0.932432432,0.575,0,0,0,2.021558872,0.691334992,1.127199822,0.9370714,1.098507463,0,0,0,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,-7.11E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,-7.11E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,-7.11E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,-7.11E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,-7.11E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,30.45980359,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,-7.11E-15,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,37.20496431,18.47227382,26.04610392,37.00965181,4.626206476,18.47227385,-0.260416667,0.005144078,6.43E-04,-4.215927241,28.64086191,3.580107739,2.683867549,0,11.89,12.11011416,-0.161880726,0.059276977,5.973360367,8.397172559,8,24,24,24,8,0,0,0,0,0,17.491312,3.709959766,2.974675559,2.789753075,2.259537733,2.158317772,1.617870431,0.918016251,0.809020034,1.845648904,1.813613019,1.410733491,1.157249124,1.096183233,0.563489532,0.402453794,0.276394959,3.731262013,3.013413722,2.836186318,2.330024954,2.225457131,1.699767002,1.045547554,0.94155887,1.787821245,1.752615835,1.310905386,1.043257925,0.981528758,0.42111061,0.249176885,0.109489703,3.825638152,3.185923174,3.040102369,2.62464957,2.50910004,2.040789505,1.545899363,1.459674177,1.621444011,1.575108587,0.997363948,0.673418052,0.610271012,0.054593717,0.26888121,0.473701747,3.746988301,3.042112654,2.870443191,2.38119944,2.2743801,1.759183913,1.136224802,1.035689916,1.751312057,1.713926185,1.245574763,0.967752621,0.905628807,0.325740607,0.146064012,0.003994699,3.872123288,3.270309035,3.138028166,2.758192334,2.639170421,2.194280813,1.75665822,1.676939727,1.570816098,1.5204722,0.893609066,0.546446869,0.483241901,0.222854153,0.454365585,0.692822975,3.713827145,3.143134573,3.000480537,2.547995964,2.352058575,1.828505304,1.260306994,1.164918264,1.742149051,1.699539474,1.059598102,0.791295033,0.753238401,0.201557105,0.011910874,0.171137606,0,0,0,0,0,3,2,3,0,0,0,0.096225045,0.288675135,0.288675135,0,0,0.096225045,0.288675135,0.288675135,0.760079655,0,0.166666667,0,0.760079655,0,0.166666667,0,1.410236714,1.743689791,1.619316155,1.410236714,1.743689791,1.619316155,6.14626437,3.698377303,3.531144005,2.519712423,1.830194132,0.849515796,0.096225045,0,0.768283046,0.462297163,0.321013091,0.209976035,0.140784164,0.106189475,0.096225045,0,6.14626437,3.698377303,3.531144005,2.519712423,1.830194132,0.849515796,0.096225045,0,0.768283046,0.462297163,0.321013091,0.209976035,0.140784164,0.106189475,0.096225045,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.6885,36.726,27.25514403,36.68482962,54.51028806,6.813786007,27.25514403,7.44E-17,9.30E-18,-29.70985711,3000014.366,375001.7957,11.93130211,51,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,7.099537037,0,2.918981481,0,0,0,2.981481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.361111111,0,1.459490741,0,0,0,0.990740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.369212963,0,1.459490741,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13,1.625,0.2,2.369212963,0.2,0.990740741,5.741078704,0.342592593,0.369212963,2.199074074,0.342592593,0.369212963,2.199074074,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.375,0.375,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.75603,1.0945,8.75603,0,0,3.69836,0.46229,3.69836,0,0,0.21564,0.02696,0.30164,0.03771,0.208333333,8,0,0,0,0,0,0,1,0.918295834,1.438721876,2.5,2.729573959,2.677694271,2.344360938,22.03910002,34.52932501,60,65.509775,64.26466251,56.26466251,0.200284263,0.313791416,0.54526073,0.595331796,0.584016613,0.511315182,3.666666667,3.146240625,2.084962501,1.855388542,1.90726823,2.240601563,0.200284263,0.313791416,0.54526073,0.595331796,0.584016613,0.511315182,6.73287657,12.97798907,15.30933029,16.80245923,12.3946273,16.41423191,31.59900002,23.32456251,22.69022552,20.3349625,26.92932344,20.36340886,6.125,2.082644628,1.25,0,0,0,2.34,1.1272,0.825481812,2.620741394,4.734706513,0,0.5,4.762203156,0,1.889881575,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.124,0.16,0.203,3.438,11,12,13,8,1,0,0,0,0,61,2.197224577,2.48490665,2.564949357,2.63905733,2.197224577,0.693147181,0,0,0,0,4.127134385,1,0.25,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.375,0,3,4,0.333333333,2.5,1.111111111,0.916666667,0,0,0,0,0,0,0,0.3125,0.101010101,0.130952381,0,0,0,0,0,0,0,0.544462482,15.22990179,21.36916214,30.45980359,3.807475449,15.22990258,0.015588426,0.001948553,-3.328981247,31.30586156,3.913232696,2.75504428,0,134.567877,4,3.663561646,4.442651256,5.283203729,6.084499413,6.922643891,7.732369222,8.566554621,9.380842352,10.21181748,78.28814361,2.833213344,0,4.110873864,2.397895273,5.549076085,4.727387819,7.053585727,6.741700695,8.593598523,8.969669104,112.1252005,4.671883355,15.32137541,1.915171927,0,0,0,59,7,4.369,38,1.331436567,2.358361545,3.279285159,3.986659752,4.975326236,5.674044563,0,0,0,0,94.01800751,110.9254429,86.02028999,44.41374562,20.78559136,5.765192415,0,0,0,0,334.770918,438.8792018,438.9113632,336.42671,273.296201,176.3705511,0,0,0,0,9.725938808,16.89728046,23.20197353,27.65788376,33.9926881,38.12086413,0,0,0,0,2.47012952,3.449198026,3.821889122,3.365765379,3.160836173,2.522753436,0,0,0,0,188.3541604,357.0938094,516.2513494,668.5971086,874.930815,1049.230998,0,0,0,0,2.584740423,3.878764456,5.250351723,5.651424724,6.393621019,5.674044563,0,0,0,0,0.509638069,0.720744621,0.812832577,0.733010447,0.704630769,0.581022163,0,0,0,0,327.3620703,132.7306996,8.143004937,54.06023186,-21.91900971,-2.960671572,273.3018384,154.6497094,11.10367651,0.858266725,0.347988827,0.021349053,0.141733275,-0.057466513,-0.007762188,124.8631945,50.62644902,3.105923689,20.61977809,-8.360399145,-1.129266167,0.07369617,0.153662443,1.033616691,1.333763547,381.4223021,0,1,0,402.4237007,20.06050101,7.38291469,557.416278,23.60966493,8.229874559,678.7063059,26.05199236,8.788079184,1.143840019,1.143840019,504.8039812,343.0230298,256.6607766,1.471632915,1.966813893,1.336484033,4.45556251,4.525938565,6.633864241,0.465743325,4.462408855,4.441365945,2.849731313,11.09929336,14.6170238,7.588478565,10.59855789,9.921360101,12.05420857,8.860624961,2.481297131,2.229090216,1.51E-06,2.63E-33,8.84E-82,5.74E-152,7.18E-244,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,4.441098491,0.752244398,3.948087292,2.095911545,2.513329025,1.226624194,0.550878334,1.693386836,0.378604623,0.075491602,0.015699665,1.06E-08,1.85E-35,6.23E-84,4.04E-154,5.06E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,4.441116993,1.028349705,4.991303778,3.680015242,3.221241277,2.525877129,1.839978855,2.905278833,1.462694883,0.331166529,0.163602611,1.11E-07,1.93E-34,6.49E-83,4.21E-153,5.27E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,4.441336804,2.667539193,10.51415876,13.50672713,7.161733995,9.807687386,9.127091742,11.10048469,8.112378744,2.250738268,1.986079251,1.34E-06,2.34E-33,7.88E-82,5.11E-152,6.39E-244,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,4.44114041,1.263030123,5.831105812,5.055977221,3.80460092,3.600011152,2.910070028,4.005315954,2.399076996,0.576574861,0.355366732,2.40E-07,4.19E-34,1.41E-82,9.14E-153,1.14E-244,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,4.441488339,3.585376092,13.43308019,19.11826983,9.300284906,13.77332729,13.11266917,15.94812098,11.89103693,3.429507799,3.250918587,2.20E-06,3.83E-33,1.29E-81,8.36E-152,1.05E-243,0,0,0,0,0,0,0,0,0,0,0,0,0,2.957336046,4.08214556,1.451100383,7.019885068,8.005752679,4.53344874,6.120048225,4.914519393,7.596967988,4.826370668,1.225438266,0.844152509,5.71E-07,9.95E-34,3.35E-82,2.17E-152,2.72E-244,0,0,0,0,0,0,0,0,0,0,0,0,0,3.473493917,2.581151968,0.919927354,0.498022431,0.370080273,0.56703395,0.537406891,0.426973145,6.974573239,14.53545003,29.75773835,0.302154055,1.531413986,2.636070169,1.867089519,0.423791417,0.535030714,0.378954343,0.326746537,0.286568651,0.092758987,4.926951105,6.83017941,13.8429382,0.370977586,0.706074175,2.968627301,2.149679155,0.621893697,0.517164423,0.374495505,0.414289512,0.376449222,0.198181373,5.740200153,9.564638754,19.27351338,0.337489892,0.988920107,3.452757854,2.563379572,0.907742458,0.498673852,0.370222998,0.560289144,0.530206608,0.416022367,6.923879884,14.31183233,29.26989466,0.303345276,1.506518119,3.116879717,2.276096715,0.709722295,0.51073793,0.372965604,0.456660903,0.420625557,0.25702138,6.102698727,10.9218353,22.05953087,0.325555301,1.134307841,3.538414099,2.636819068,0.958047431,0.496043027,0.369650266,0.58841155,0.560278564,0.462091132,7.133280598,15.24632404,31.31833832,0.298539939,1.610781247,3.468068839,2.57287782,0.909423127,0.498976162,0.370178552,0.5651127,0.53377728,0.416865722,6.950369786,14.416694,29.48177122,0.30373207,1.515755701 +UMLS0274,L,"l,cis-2,trans-4-trimetmyl-cyclopentane",C[C@@H]1C[C@H](C[C@@H]1C)C,252323,Sandia values from independent api report ,Sandia,,C8H16,UML,"1,cis-2,trans-4-trimethyl-cyclopentane",9.7,0,2.1151,4.47364801,45.7868,22.50793,0,0,19,9,10,0,9,0,0,0,0,0,0,0,0,0,1308.537729,1419.447969,1651.509898,1392.276152,924.178589,608.387979,274.479577,55.5408,3.048192,4122.48956,4959.018279,6278.942729,5816.80088,4233.124071,3063.365801,1850.636765,676.5326765,93.25123329,135.049284,139.040964,216.560296,249.306848,212.050868,162.57918,139.183012,75.499776,20.155392,29.54622905,36.2355431,48.15309198,47.02544513,35.7627251,26.62399777,17.92585924,7.566467574,1.333838715,2990.325725,2672.374682,4425.779828,5403.024471,4748.191412,3633.604648,3322.278701,1906.913755,554.7529561,44.77777778,54,74,75.66666667,59.66666667,46,33,15,3,68.87040679,74.70778784,55.05032993,39.77931863,30.80595297,26.45165126,13.72397885,5.049163636,1.016064,216.9731347,261.0009621,209.298091,166.1943109,141.1041357,133.1898174,92.53183827,61.50297059,31.08374443,7.107857053,7.317945474,7.218676533,7.1230528,7.068362267,7.06866,6.9591506,6.863616,6.718464,1.555064687,1.907133847,1.605103066,1.343584147,1.192090837,1.15756512,0.896292962,0.687860689,0.444612905,157.3855645,140.651299,147.5259943,154.3721278,158.2730471,157.9828108,166.1139351,173.3557959,184.917652,2.356725146,2.842105263,2.466666667,2.161904762,1.988888889,2,1.65,1.363636364,1,0.059541121,-0.002941259,-0.022583921,-0.005582548,-0.002376537,-0.006324647,-6.83E-04,0.005685963,0.005035755,573.4705689,3.91E-13,-96.24915397,-87.86508132,-70.76157313,-158.9620174,-23.81076631,69.4201215,81.49318611,1066.393011,-2.84E-14,-178.9794118,-163.3888707,-131.5841669,-295.5966592,-44.27713672,129.0896803,151.5400595,0.112338947,9.37E-16,-0.018854548,-0.017212166,-0.013861706,-0.031139568,-0.004664366,0.013598925,0.015963956,4.767272928,8.22E-15,-0.800121246,-0.730424273,-0.588242449,-1.321454601,-0.197939402,0.577090933,0.677454574,25.89590221,5.55E-14,-4.346271306,-3.967676245,-3.195342319,-7.178162367,-1.075209975,3.134767109,3.679943998,4.49122807,-0.362573099,-0.72299169,-0.58910434,-0.009541397,-1.337334564,-0.312403817,0.464142813,0.624192059,0.003133743,-1.55E-04,-7.53E-04,-1.60E-04,-7.92E-05,-2.75E-04,-3.42E-05,5.17E-04,0.001678585,30.18266152,2.06E-14,-3.208305132,-2.510430895,-2.358719104,-6.911392059,-1.190538316,6.310920137,27.16439537,56.12594795,-1.50E-15,-5.965980393,-4.668253448,-4.386138895,-12.85202866,-2.213856836,11.73542548,50.51335315,0.005912576,4.93E-17,-6.28E-04,-4.92E-04,-4.62E-04,-0.001353894,-2.33E-04,0.001236266,0.005321319,0.250909101,4.32E-16,-0.026670708,-0.020869265,-0.019608082,-0.057454548,-0.00989697,0.052462812,0.225818191,1.362942221,2.92E-15,-0.14487571,-0.113362178,-0.106511411,-0.312094016,-0.053760499,0.284978828,1.226647999,0.236380425,-0.019082795,-0.024099723,-0.016831553,-3.18E-04,-0.058144981,-0.015620191,0.042194801,0.20806402,-0.049398784,-0.240223054,-0.050898032,-0.025279001,-0.087749587,-0.010903352,0.164948331,0.535648525,6.81E-16,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,-2.67E-17,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,8.34E-15,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,1.72E-15,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,2.14E-15,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,-0.080729167,-0.101953125,-0.071205357,-0.001345486,-0.245980525,-0.066080729,0.178503788,0.880208333,1.031178003,1.173701408,1.012748308,1.043998422,1.095532648,0.862302711,0.585901658,0.180736288,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1.08984375,1.046484375,1.005133929,0.9203125,1.219769022,1.001953125,0.728693182,0,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,35.86316424,17.61124769,27.02949208,35.84670333,3.982967037,17.6112478,-0.02962963,0.173747988,0.019305332,-1.575134436,63.76202664,7.084669626,3.739642037,0,11.85,12.15009716,-0.207938173,0.092233994,5.456042062,8.612755408,9,19,15,15,5,4,4,0,0,4,10.93207,3.765428653,3.258839911,2.64911457,2.625632713,2.020475955,0.932607949,0.926938202,0.705636383,1.952505542,1.650956488,1.152402844,1.102295258,0.801603097,0.305911373,0.298796655,0.228496171,3.776691301,3.282125781,2.675203415,2.656953789,2.079793726,1.042649032,1.040358538,0.841603787,1.921759287,1.588063217,1.071392144,1.028724763,0.698724205,0.145009386,0.137862753,0.059540287,3.828060316,3.390255786,2.804946338,2.79848862,2.32886479,1.509333156,1.504217428,1.375970038,1.838735379,1.412948404,0.83613095,0.824694856,0.376126744,0.404709933,0.410437301,0.529562477,3.785078284,3.299589378,2.694893082,2.680630738,2.122918188,1.123129086,1.122815948,0.938483976,1.902900841,1.548795732,1.019796144,0.982818829,0.631647147,0.03633571,0.02924343,0.055298127,3.854384749,3.446236968,2.881717314,2.863278479,2.442783452,1.714330405,1.707986516,1.600004556,1.814727766,1.361976954,0.766049172,0.765965708,0.26770109,0.603646471,0.607690939,0.749546954,3.781442792,3.330074143,2.728739464,2.686701954,2.168972452,1.202484343,1.195717719,1.025879058,1.899605372,1.504204009,0.988912544,0.933462583,0.574045556,0.05884255,0.063790468,0.154431551,0,0,0,7,1,1,0,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.018518519,0.204124145,0,0,0,0.096225045,0,0,0,0.433012702,0.65464793,0.637136847,0.166666667,0.21593063,0.175261141,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,5.541451884,3.11004234,1.910683603,1.158689248,0.75660012,0.431861261,0.138224104,0.05842038,0.615716876,0.34556026,0.19106836,0.105335386,0.06305001,0.035988438,0.023037351,0.014605095,11.70913902,18.43918427,17.62745098,17.8,12.99277246,142.1120539,0.616270475,0.970483383,0.927760578,0.936842105,0.683830129,7.479581784,2.53699,40.088,37.50463196,54.26687178,75.00926391,8.334362657,37.50463196,0.136437528,0.015159725,-1.792699594,35.3218919,3.924654656,3.208052645,81,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,1,0,7,0,0,0,0,0,0,0,0,1,0,0,0,7,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.64583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.020731293,0,0,0,0.344893707,0,3.020731293,0,0,0,0,0,0,0,0,2.020833333,0,0,0,14.38194444,0,0,0,0,1.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.3875,0,0,0,0.344893707,0,0.3875,0,0,0,0,0,0,0,0,2.020833333,0,0,0,2.020833333,0,0,0,0,1.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.444897959,0,0,0,0.344893707,0,0.444897959,0,0,0,0,0,0,0,0,2.020833333,0,0,0,2.083333333,0,0,0,0,1.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.66666667,1.962962963,0.444897959,2.083333333,0.234375,1.263888889,4.721736111,0.402777778,0.083333333,0.805555556,0.402777778,0.083333333,0.805555556,4.5,0.5,0,0,0.48947,0.7,0.43333,0.43333,0.7,0.05614,0.05614,0,0,0.71429,0,0,0.11111,0.11111,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,4.35638,0.48404,9.45555,5.09916,0.56657,1.99494,0.22166,4.43185,2.4369,0.27077,-0.01785,-0.00198,0.06815,0.00757,0.315789474,9,0,0,0,0,0,0,0.111111111,0.998000884,2.147077673,2.825845934,3.536886724,3.787143961,3.576617645,18.96201679,40.79447579,53.69107275,67.20084775,71.95573525,67.95573525,0.234938304,0.505441222,0.665229321,0.83261466,0.891527445,0.841967673,3.24992663,2.10084984,1.422081579,0.71104079,0.460783553,0.671309869,0.220622795,0.474643145,0.624694867,0.781880907,0.837203955,0.790664012,6.618775012,15.30911556,21.05820864,24.52568468,24.77790019,22.2515844,32.44785067,27.90620421,21.67273602,17.14653427,16.55585519,19.39534258,7.111111111,3.92,2.380165289,3,8,3,2.45,1.0961,0,2.085481947,0.333333333,0,9.563073858,4.445544946,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.155,0.148,0.653,0.8,4.358,10,11,12,12,6,4,2,0,0,75,2.63905733,2.995732274,3.433987204,3.80666249,4.17438727,3.713572067,3.713572067,3.218875825,0,0,5.648974238,3.773333333,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,2,0.222222222,0,3,6,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.04,0,0,0,0,0.111111111,0.044444444,0.0234375,0.030222222,0.030092593,0.04,0,0,0,0,0.27930787,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,0,130.4180268,4.169925001,3.663561646,4.394449155,5.153291594,5.905361848,6.673297968,7.430707083,8.200562797,8.959440144,9.729669736,78.11034197,2.944438979,0,4.077537444,0,5.433722004,0,6.886531643,0,8.379997952,8.639410824,118.0782503,6.214644754,17.70058553,1.966731726,0,0,0,94,8,3.461,38,1.240730216,2.212510785,3.085702479,4.000435977,4.685910127,5.0900472,5.840493447,6.438982046,0,0,103.316672,133.0998813,128.6705423,128.6362996,128.636087,73.23570253,28.93098914,6.542417854,0,0,348.6554645,492.0359492,533.7651429,578.1424989,633.49492,488.0208551,354.9943797,200.1476723,0,0,9.113592857,16.02367521,22.04329066,28.30041882,33.12821544,35.49074092,40.06679951,43.26006907,0,0,2.500924977,3.717975493,4.285951135,4.846932312,5.469291048,4.688584002,3.983753994,2.862854512,0,0,172.3937219,322.8405634,471.5288031,631.5477142,740.1638343,840.1750749,1014.084804,1190.681441,0,0,3.667517614,5.649490125,6.85739822,8.071687385,9.420118593,8.581344949,7.913942572,6.438982046,0,0,0.513239767,0.7708777,0.899024408,1.025174862,1.161959366,1.014243257,0.883373129,0.659351762,0,0,270.9950913,138.3445802,13.2918813,165.2626634,-84.36755694,-9.671759729,105.7324279,222.7121372,22.96364103,0.621181144,0.31711661,0.030467954,0.378818856,-0.193389243,-0.022169829,118.2237101,60.35389594,5.798686293,72.09711848,-36.80600096,-4.219380183,0.122121285,0.169540335,2.199080383,3.257738909,436.2577547,0,1,0,653.2020165,25.55781713,8.676591924,754.5837685,27.46968818,9.104074851,1074.501706,32.77959283,10.24241503,1.38113944,1.375141106,567.5774465,454.2657342,133.4654604,1.249439268,4.252616705,3.403620178,4.160564669,4.150853919,7.411394112,0.785510706,4.616374001,4.080124111,3.24197037,12.71282661,4.900615824,7.183308186,5.906246057,3.205141904,4.216565368,4.274930604,1.893512324,2.235515017,5.49E-04,0.742765287,9.09E-16,3.42E-52,2.50E-110,3.54E-190,9.65E-292,0,0,0,0,0,0,0,0,0,0,0,0.387425299,4.07606928,0.218169338,6.882705677,1.794749093,0.543854975,0.439694833,1.693564793,0.829439271,0.497776893,0.033499693,0.112548334,3.86E-06,0.005231357,6.40E-18,2.41E-54,1.76E-112,2.49E-192,6.80E-294,0,0,0,0,0,0,0,0,0,0,0,1.250643887,4.076340288,0.739797071,7.374647836,2.291853334,1.785909601,1.39791973,1.962612701,1.334328655,1.117762754,0.190777101,0.412780858,4.03E-05,0.05451477,6.67E-17,2.51E-53,1.84E-111,2.60E-191,7.08E-293,0,0,0,0,0,0,0,0,0,0,0,4.357480792,4.079678946,3.023037262,12.10894266,4.662057038,6.736799448,5.51582883,3.098631434,3.943232089,3.99027301,1.700969177,2.058458526,4.89E-04,0.661790499,8.10E-16,3.04E-52,2.23E-110,3.15E-190,8.60E-292,0,0,0,0,0,0,0,0,0,0,0,1.843216386,4.076691614,1.126262149,7.919633961,2.673739162,2.672152386,2.102510163,2.159033194,1.736293693,1.588202123,0.364775551,0.658404258,8.74E-05,0.118413364,1.45E-16,5.45E-53,3.99E-111,5.64E-191,1.54E-292,0,0,0,0,0,0,0,0,0,0,0,5.574939026,4.081995956,4.090979126,15.22915085,5.838868735,8.881998487,7.415095337,3.615367305,5.303506089,5.389547296,2.695741927,2.944542659,8.00E-04,1.083253365,1.33E-15,4.98E-52,3.65E-110,5.16E-190,1.41E-291,0,0,0,0,0,0,0,0,0,0,0,2.396112915,3.937849457,1.488864392,8.384953089,2.962350294,3.345129347,2.740072564,2.408209234,2.162622977,2.058432352,0.559475743,0.906945751,1.42E-04,0.192764647,2.36E-16,8.87E-53,6.50E-111,9.18E-191,2.50E-292,0,0,0,0,0,0,0,0,0,0,0,5.096991885,1.877720099,0.21884152,0.708549937,0.261028169,0.573981875,0.52925869,0.274382451,7.193553503,11.09708067,20.38510598,0.562824906,1.377623015,3.822543984,1.056348804,0.086948435,0.769767661,0.212723033,0.324895496,0.169509908,0.041926865,4.965841223,4.46215186,9.779085628,0.654651492,0.53633227,4.242455681,1.330592204,0.130656968,0.743807015,0.233285599,0.3989484,0.268739791,0.096103803,5.703704853,6.373135993,12.81439661,0.615710523,0.763791994,5.055072744,1.85117298,0.214535365,0.709904248,0.259967686,0.564627751,0.514783643,0.263525096,7.120781089,10.83944802,19.96781117,0.564856372,1.342936489,4.461677972,1.472239375,0.153367655,0.732950399,0.241854846,0.440724477,0.32838878,0.133173432,6.087285002,7.478728981,14.57343366,0.599425599,0.902286689,5.232890912,1.963601392,0.232789637,0.704360254,0.264305677,0.604855484,0.577321271,0.311070886,7.429281941,11.95058071,21.77184877,0.55654038,1.493247641,5.055105257,1.849275969,0.21416147,0.710132041,0.259782943,0.564643084,0.513785695,0.262530766,7.118542696,10.82693711,19.94752219,0.565198062,1.340959545 +UMLS0275,L,cis-l-propenyl benzene,C/C=C\C1=CC=CC=C1,252324,Sandia values from independent api report ,Sandia,,C9H10,UML,,8.8,0,2.1151,4.47364801,45.7868,22.50793,0,0,19,9,10,0,9,0,0,0,0,0,0,0,0,0,1308.537729,1419.447969,1651.509898,1392.276152,924.178589,608.387979,274.479577,55.5408,3.048192,4122.48956,4959.018279,6278.942729,5816.80088,4233.124071,3063.365801,1850.636765,676.5326765,93.25123329,135.049284,139.040964,216.560296,249.306848,212.050868,162.57918,139.183012,75.499776,20.155392,29.54622905,36.2355431,48.15309198,47.02544513,35.7627251,26.62399777,17.92585924,7.566467574,1.333838715,2990.325725,2672.374682,4425.779828,5403.024471,4748.191412,3633.604648,3322.278701,1906.913755,554.7529561,44.77777778,54,74,75.66666667,59.66666667,46,33,15,3,68.87040679,74.70778784,55.05032993,39.77931863,30.80595297,26.45165126,13.72397885,5.049163636,1.016064,216.9731347,261.0009621,209.298091,166.1943109,141.1041357,133.1898174,92.53183827,61.50297059,31.08374443,7.107857053,7.317945474,7.218676533,7.1230528,7.068362267,7.06866,6.9591506,6.863616,6.718464,1.555064687,1.907133847,1.605103066,1.343584147,1.192090837,1.15756512,0.896292962,0.687860689,0.444612905,157.3855645,140.651299,147.5259943,154.3721278,158.2730471,157.9828108,166.1139351,173.3557959,184.917652,2.356725146,2.842105263,2.466666667,2.161904762,1.988888889,2,1.65,1.363636364,1,0.059541121,-0.002941259,-0.022583921,-0.005582548,-0.002376537,-0.006324647,-6.83E-04,0.005685963,0.005035755,573.4705689,3.91E-13,-96.24915397,-87.86508132,-70.76157313,-158.9620174,-23.81076631,69.4201215,81.49318611,1066.393011,-2.84E-14,-178.9794118,-163.3888707,-131.5841669,-295.5966592,-44.27713672,129.0896803,151.5400595,0.112338947,9.37E-16,-0.018854548,-0.017212166,-0.013861706,-0.031139568,-0.004664366,0.013598925,0.015963956,4.767272928,8.22E-15,-0.800121246,-0.730424273,-0.588242449,-1.321454601,-0.197939402,0.577090933,0.677454574,25.89590221,5.55E-14,-4.346271306,-3.967676245,-3.195342319,-7.178162367,-1.075209975,3.134767109,3.679943998,4.49122807,-0.362573099,-0.72299169,-0.58910434,-0.009541397,-1.337334564,-0.312403817,0.464142813,0.624192059,0.003133743,-1.55E-04,-7.53E-04,-1.60E-04,-7.92E-05,-2.75E-04,-3.42E-05,5.17E-04,0.001678585,30.18266152,2.06E-14,-3.208305132,-2.510430895,-2.358719104,-6.911392059,-1.190538316,6.310920137,27.16439537,56.12594795,-1.50E-15,-5.965980393,-4.668253448,-4.386138895,-12.85202866,-2.213856836,11.73542548,50.51335315,0.005912576,4.93E-17,-6.28E-04,-4.92E-04,-4.62E-04,-0.001353894,-2.33E-04,0.001236266,0.005321319,0.250909101,4.32E-16,-0.026670708,-0.020869265,-0.019608082,-0.057454548,-0.00989697,0.052462812,0.225818191,1.362942221,2.92E-15,-0.14487571,-0.113362178,-0.106511411,-0.312094016,-0.053760499,0.284978828,1.226647999,0.236380425,-0.019082795,-0.024099723,-0.016831553,-3.18E-04,-0.058144981,-0.015620191,0.042194801,0.20806402,-0.049398784,-0.240223054,-0.050898032,-0.025279001,-0.087749587,-0.010903352,0.164948331,0.535648525,6.81E-16,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,-2.67E-17,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,8.34E-15,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,1.72E-15,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,2.14E-15,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,-0.080729167,-0.101953125,-0.071205357,-0.001345486,-0.245980525,-0.066080729,0.178503788,0.880208333,1.031178003,1.173701408,1.012748308,1.043998422,1.095532648,0.862302711,0.585901658,0.180736288,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1.08984375,1.046484375,1.005133929,0.9203125,1.219769022,1.001953125,0.728693182,0,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,35.86316424,17.61124769,27.02949208,35.84670333,3.982967037,17.6112478,-0.02962963,0.173747988,0.019305332,-1.575134436,63.76202664,7.084669626,3.739642037,0,11.85,12.15009716,-0.207938173,0.092233994,5.456042062,8.612755408,9,19,15,15,5,4,4,0,0,4,10.93207,3.765428653,3.258839911,2.64911457,2.625632713,2.020475955,0.932607949,0.926938202,0.705636383,1.952505542,1.650956488,1.152402844,1.102295258,0.801603097,0.305911373,0.298796655,0.228496171,3.776691301,3.282125781,2.675203415,2.656953789,2.079793726,1.042649032,1.040358538,0.841603787,1.921759287,1.588063217,1.071392144,1.028724763,0.698724205,0.145009386,0.137862753,0.059540287,3.828060316,3.390255786,2.804946338,2.79848862,2.32886479,1.509333156,1.504217428,1.375970038,1.838735379,1.412948404,0.83613095,0.824694856,0.376126744,0.404709933,0.410437301,0.529562477,3.785078284,3.299589378,2.694893082,2.680630738,2.122918188,1.123129086,1.122815948,0.938483976,1.902900841,1.548795732,1.019796144,0.982818829,0.631647147,0.03633571,0.02924343,0.055298127,3.854384749,3.446236968,2.881717314,2.863278479,2.442783452,1.714330405,1.707986516,1.600004556,1.814727766,1.361976954,0.766049172,0.765965708,0.26770109,0.603646471,0.607690939,0.749546954,3.781442792,3.330074143,2.728739464,2.686701954,2.168972452,1.202484343,1.195717719,1.025879058,1.899605372,1.504204009,0.988912544,0.933462583,0.574045556,0.05884255,0.063790468,0.154431551,0,0,0,7,1,1,0,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.018518519,0.204124145,0,0,0,0.096225045,0,0,0,0.433012702,0.65464793,0.637136847,0.166666667,0.21593063,0.175261141,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,5.541451884,3.11004234,1.910683603,1.158689248,0.75660012,0.431861261,0.138224104,0.05842038,0.615716876,0.34556026,0.19106836,0.105335386,0.06305001,0.035988438,0.023037351,0.014605095,11.70913902,18.43918427,17.62745098,17.8,12.99277246,142.1120539,0.616270475,0.970483383,0.927760578,0.936842105,0.683830129,7.479581784,2.53699,40.088,37.50463196,54.26687178,75.00926391,8.334362657,37.50463196,0.136437528,0.015159725,-1.792699594,35.3218919,3.924654656,3.208052645,81,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,1,0,7,0,0,0,0,0,0,0,0,1,0,0,0,7,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.64583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.020731293,0,0,0,0.344893707,0,3.020731293,0,0,0,0,0,0,0,0,2.020833333,0,0,0,14.38194444,0,0,0,0,1.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.3875,0,0,0,0.344893707,0,0.3875,0,0,0,0,0,0,0,0,2.020833333,0,0,0,2.020833333,0,0,0,0,1.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.444897959,0,0,0,0.344893707,0,0.444897959,0,0,0,0,0,0,0,0,2.020833333,0,0,0,2.083333333,0,0,0,0,1.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.66666667,1.962962963,0.444897959,2.083333333,0.234375,1.263888889,4.721736111,0.402777778,0.083333333,0.805555556,0.402777778,0.083333333,0.805555556,4.5,0.5,0,0,0.48947,0.7,0.43333,0.43333,0.7,0.05614,0.05614,0,0,0.71429,0,0,0.11111,0.11111,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,4.35638,0.48404,9.45555,5.09916,0.56657,1.99494,0.22166,4.43185,2.4369,0.27077,-0.01785,-0.00198,0.06815,0.00757,0.315789474,9,0,0,0,0,0,0,0.111111111,0.998000884,2.147077673,2.825845934,3.536886724,3.787143961,3.576617645,18.96201679,40.79447579,53.69107275,67.20084775,71.95573525,67.95573525,0.234938304,0.505441222,0.665229321,0.83261466,0.891527445,0.841967673,3.24992663,2.10084984,1.422081579,0.71104079,0.460783553,0.671309869,0.220622795,0.474643145,0.624694867,0.781880907,0.837203955,0.790664012,6.618775012,15.30911556,21.05820864,24.52568468,24.77790019,22.2515844,32.44785067,27.90620421,21.67273602,17.14653427,16.55585519,19.39534258,7.111111111,3.92,2.380165289,3,8,3,2.45,1.0961,0,2.085481947,0.333333333,0,9.563073858,4.445544946,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.155,0.148,0.653,0.8,4.358,10,11,12,12,6,4,2,0,0,75,2.63905733,2.995732274,3.433987204,3.80666249,4.17438727,3.713572067,3.713572067,3.218875825,0,0,5.648974238,3.773333333,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,2,0.222222222,0,3,6,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.04,0,0,0,0,0.111111111,0.044444444,0.0234375,0.030222222,0.030092593,0.04,0,0,0,0,0.27930787,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,0,130.4180268,4.169925001,3.663561646,4.394449155,5.153291594,5.905361848,6.673297968,7.430707083,8.200562797,8.959440144,9.729669736,78.11034197,2.944438979,0,4.077537444,0,5.433722004,0,6.886531643,0,8.379997952,8.639410824,118.0782503,6.214644754,17.70058553,1.966731726,0,0,0,94,8,3.461,38,1.24032323,2.210860374,3.075343682,3.988788975,4.980529484,5.839778136,7.12180992,8.137125432,0,0,103.1822927,132.3657204,130.2794126,137.0149904,146.2387029,88.66620899,36.3572059,8.267840215,0,0,348.3063085,490.1491434,535.2186603,601.5851796,704.0772214,578.1311726,441.0145065,252.9323273,0,0,9.110281854,16.00946159,21.96622864,28.27547513,35.2952192,40.77963243,48.89569341,54.66898428,0,0,2.498830718,3.706820609,4.283499346,4.986556935,6.01175571,5.505565686,4.922818935,3.617870976,0,0,172.3571924,322.7448775,470.3196441,625.5700627,780.4386661,959.221383,1233.466,1504.698129,0,0,3.665463029,5.637558204,6.836713077,8.219121888,10.27919746,10.02193963,9.747445859,8.137125432,0,0,0.512826192,0.768683692,0.898071065,1.052498888,1.274547513,1.18909197,1.090560841,0.833241644,0,0,292.1658915,149.1523976,13.93903133,150.5132459,-76.83789296,-8.815494972,141.6526456,225.9902906,22.7545263,0.659994716,0.336931165,0.031487889,0.340005284,-0.173574688,-0.019913961,129.3357448,66.02665472,6.170518366,66.62907385,-34.01453218,-3.90243571,0.122121285,0.169540335,3.104107322,4.180142888,442.6791374,0,1,0,654.9872404,25.5927185,8.68448921,756.1644081,27.49844374,9.110427238,1059.132424,32.54431478,10.19334573,1.914336166,1.914336166,657.9770389,578.9146307,103.068451,1.136570064,6.383884037,5.616797626,4.252981034,4.594502046,8.31919167,0.810684071,4.526772545,3.993752783,1.959969476,10.87894113,3.895203885,5.717195368,1.527817358,3.787342131,4.643521879,3.601611538,1.91428008,2.337380263,2.856818881,1.504935639,1.588278256,0.038038174,7.42E-21,2.79E-61,2.03E-123,2.84E-207,7.65840807334E-313,0,0,0,0,0,0,0,0,0,0.379908412,3.992025417,0.162985112,6.865687354,0.139274417,1.240995256,0.202877211,1.229458615,0.1936488,0.169431549,1.340837478,0.467760791,0.180581957,0.01259206,0.011192791,2.68E-04,5.23E-23,1.97E-63,1.43E-125,2.00E-209,5.393879427E-315,0,0,0,0,0,0,0,0,0,1.226371789,3.992140904,0.52712495,7.141113326,0.498727738,2.113257636,0.431417522,1.628947532,0.625507679,0.634451026,1.384820946,0.849379711,0.621929653,0.115573329,0.116587125,0.002791787,5.45E-22,2.05E-62,1.49E-124,2.08E-208,5.6208382313E-314,0,0,0,0,0,0,0,0,0,4.272904494,3.993563155,1.849017307,10.44088667,3.521210473,5.428510638,1.431879732,3.58736803,4.202549812,3.308162037,1.853325158,2.222919864,2.655861058,1.342242635,1.41513175,0.033891328,6.61E-21,2.49E-61,1.81E-123,2.53E-207,6.82350371487E-313,0,0,0,0,0,0,0,0,0,1.807442362,3.992290584,0.777886227,7.491639611,0.866390833,2.724338501,0.600746699,1.939595428,1.063434638,1.023615444,1.436709736,1.111352186,0.956056696,0.2461372,0.253227024,0.006064134,1.18E-21,4.45E-62,3.23E-124,4.52E-208,1.2209211732E-313,0,0,0,0,0,0,0,0,0,5.466731669,3.99455013,2.371845075,12.71927666,5.443500309,6.802704599,1.899864721,4.577013566,6.467623398,4.782742344,2.169318519,2.761179726,3.643022804,2.18830764,2.316333636,0.055475101,1.08E-20,4.07E-61,2.96E-123,4.14E-207,1.11690684257E-312,0,0,0,0,0,0,0,0,0,2.349607191,3.871221818,0.994862549,7.813845682,1.26750041,3.261851755,0.727114469,2.252604499,1.544371475,1.420991426,1.546540983,1.367079392,1.283076439,0.397292007,0.41221634,0.009871779,1.93E-21,7.25E-62,5.26E-124,7.36E-208,1.9875327467E-313,0,0,0,0,0,0,0,0,0,6.679408353,1.388178435,0.335128151,0.79491074,0.165205942,0.567540154,0.386817445,0.216803748,8.402714939,11.97588608,23.48597983,0.69236611,1.171161346,4.918330911,0.771177278,0.101798017,0.849261071,0.133161199,0.30771796,0.118746333,0.019415634,5.791306206,4.372085698,10.54950212,0.773891606,0.445879927,5.501589498,0.975366424,0.179301985,0.826528896,0.146533749,0.38502421,0.190316459,0.061027011,6.656257908,6.527396731,14.14580087,0.739793344,0.636367681,6.621873886,1.368003905,0.327530568,0.7961463,0.164474779,0.557803998,0.375600969,0.206956096,8.317408359,11.67567854,22.96010421,0.694219449,1.140361062,5.804818341,1.081597822,0.219488928,0.816900629,0.152211127,0.428636692,0.234253547,0.091934211,7.105905091,7.789970972,16.27393266,0.725350944,0.75482445,6.865779094,1.453534292,0.359731358,0.791075435,0.167476299,0.599657085,0.424292714,0.250283897,8.679044745,12.97236326,25.24139938,0.686613152,1.274233696,6.621476274,1.366798106,0.326815859,0.796320435,0.164375619,0.55773698,0.374930131,0.206028022,8.315090238,11.66091598,22.93376204,0.694480652,1.138695133 +UMLS0276,L,trans-l-propenyl benzene,C/C=C/C1=CC=CC=C1,252325,Sandia values from independent API report ,Sandia,,C9H10,UML,,8.3,0,3.3677,11.34140329,55.7662,34.45586,0,0,32,12,20,0,12,0,0,0,0,0,0,0,0,0,1751.490732,1973.311212,2927.79549,3266.708274,2312.576458,1350.382326,616.607042,157.563504,15.24096,5703.87771,7376.935148,11103.79617,14058.15311,13208.84286,8680.175966,4492.542824,2008.112646,466.2561665,224.855472,232.838832,428.283144,554.072904,794.949544,770.971992,360.983432,239.537088,100.77696,42.3590581,55.7376862,86.26615854,113.2235887,119.8403962,86.60603569,44.53173037,22.91969713,6.669193573,5219.885314,4583.983227,9222.167083,11443.70914,18120.59952,19281.0037,8704.593706,6122.371673,2773.76478,61.64583333,72.36111111,108.7083333,156.3611111,196.1944444,157.75,85.33333333,49,15,54.73408537,61.66597537,48.7965915,42.42478278,20.46527839,12.05698505,11.85782773,4.5018144,1.016064,178.2461784,230.5292234,185.0632695,182.573417,116.8924147,77.50157113,86.3950543,57.37464704,31.08374443,7.0267335,7.2762135,7.1380524,7.195752,7.034951717,6.8836785,6.941989077,6.8439168,6.718464,1.323720566,1.741802694,1.437769309,1.470436216,1.060534479,0.773268176,0.85637943,0.654848489,0.444612905,163.121416,143.2494759,153.7027847,148.6195992,160.3592878,172.1518188,167.3960328,174.924905,184.917652,1.926432292,2.261284722,1.811805556,2.030663781,1.736234022,1.408482143,1.641025641,1.4,1,0.057527972,-0.002051969,0.008104685,-0.034668044,-0.032582229,0.034626,-0.019248141,0.001475881,0.01557983,907.9950675,-1.20E-12,385.8979037,-641.2715164,-906.1034111,544.7970405,-189.1656391,96.47447592,255.3736127,1688.455601,3.55E-13,717.5936303,-1192.471768,-1684.937985,1013.07336,-351.7615835,179.3984076,474.8781377,0.17787,2.78E-15,0.07559475,-0.125620687,-0.177499437,0.106722,-0.03705625,0.018898687,0.050025937,7.548182136,1.87E-14,3.207977408,-5.330903634,-7.532456757,4.528909282,-1.572537945,0.801994352,2.122926226,41.00184516,-3.97E-13,17.42578419,-28.95755315,-40.91642465,24.6011071,-8.542051076,4.356446049,11.53176895,7.175130208,-2.332248264,2.417073568,-2.100660536,-5.688958062,5.155924479,-1.414794922,-1.016418457,1.39251709,0.001797749,-6.41E-05,1.35E-04,-4.50E-04,-2.88E-04,3.09E-04,-3.70E-04,4.22E-05,0.001038655,28.37484586,-3.75E-14,6.431631728,-8.328201512,-8.018614258,4.86425929,-3.637800751,2.756413598,17.02490752,52.76423752,1.11E-14,11.95989384,-15.48664634,-14.91095562,9.045297861,-6.764645837,5.125668788,31.65854251,0.005558437,8.70E-17,0.001259913,-0.001631437,-0.001570791,9.53E-04,-7.13E-04,5.40E-04,0.003335062,0.235880692,5.85E-16,0.05346629,-0.069232515,-0.066658909,0.04043669,-0.030241114,0.022914124,0.141528415,1.281307661,-1.24E-14,0.290429737,-0.376072119,-0.362092254,0.219652742,-0.164270213,0.124469887,0.768784597,0.224222819,-0.072882758,0.040284559,-0.027281306,-0.050344762,0.04603504,-0.027207595,-0.029040527,0.092834473,-0.035669069,0.075137338,-0.250443362,-0.160388511,0.171971001,-0.205900007,0.023456021,0.577753211,-1.32E-15,0.226666667,-0.293506494,-0.28259587,0.171428571,-0.128205128,0.097142857,0.6,2.10E-16,0.226666667,-0.293506494,-0.28259587,0.171428571,-0.128205128,0.097142857,0.6,1.57E-14,0.226666667,-0.293506494,-0.28259587,0.171428571,-0.128205128,0.097142857,0.6,2.48E-15,0.226666667,-0.293506494,-0.28259587,0.171428571,-0.128205128,0.097142857,0.6,-9.67E-15,0.226666667,-0.293506494,-0.28259587,0.171428571,-0.128205128,0.097142857,0.6,-0.325046124,0.179663067,-0.121670514,-0.224530054,0.205309344,-0.121341774,-0.129516378,0.414027765,1.256488572,1.005558843,1.408769521,1.099375055,0.646008403,1.192514172,0.779921798,0.072883988,1.291666667,0.895555556,1.476190476,1.261946903,0.627380952,0.993589744,0.64952381,0,1.291666667,0.895555556,1.476190476,1.261946903,0.627380952,0.993589744,0.64952381,0,1.291666667,0.895555556,1.476190476,1.261946903,0.627380952,0.993589744,0.64952381,0,1.291666667,0.895555556,1.476190476,1.261946903,0.627380952,0.993589744,0.64952381,0,1.291666667,0.895555556,1.476190476,1.261946903,0.627380952,0.993589744,0.64952381,0,1.655808608,0.51980764,1.200327906,1.323332581,0.541533263,1.269371526,1.234422596,0,57.88035377,28.94017688,42.07355989,57.88035377,4.823362814,28.94017688,-1.07E-14,0.027034187,0.002252849,-4.332783643,67.81869466,5.651557889,5.060205467,57.88035377,28.94017688,42.07355989,57.88035377,4.823362814,28.94017688,-1.07E-14,0.027034187,0.002252849,-4.332783643,67.81869466,5.651557889,5.060205467,57.88035377,28.94017688,42.07355989,57.88035377,4.823362814,28.94017688,-1.07E-14,0.027034187,0.002252849,-4.332783643,67.81869466,5.651557889,5.060205467,57.88035377,28.94017688,42.07355989,57.88035377,4.823362814,28.94017688,-1.07E-14,0.027034187,0.002252849,-4.332783643,67.81869466,5.651557889,5.060205467,57.88035377,28.94017688,42.07355989,57.88035377,4.823362814,28.94017688,-1.07E-14,0.027034187,0.002252849,-4.332783643,67.81869466,5.651557889,5.060205467,57.88035377,28.94017688,42.07355989,57.88035377,4.823362814,28.94017688,-1.07E-14,0.027034187,0.002252849,-4.332783643,67.81869466,5.651557889,5.060205467,79.16465192,39.29899263,59.00201287,78.6924297,6.557702475,39.29899263,-0.566666667,0.090336544,0.007528045,-2.885055848,67.9110234,5.65925195,5.061838043,0,11.89,12.11019763,-0.169516066,0.052747865,6.588522316,11.07194205,12,32,30,30,10,2,2,0,0,2,21.86414,3.801140415,3.393066176,2.89910061,2.796691368,2.473862626,2.231917132,2.216330268,1.849757823,2.038255918,1.723017246,1.47811661,1.431190794,1.293835819,1.123307645,1.094722827,0.796797178,3.815395102,3.41146373,2.936465359,2.838848408,2.535680264,2.301281592,2.284439474,1.921661728,1.999697626,1.667371915,1.39272185,1.340066679,1.187572004,1.010910804,0.983337382,0.673515879,3.880720878,3.498975341,3.10568852,3.027720067,2.79769629,2.591149459,2.569291934,2.224058473,1.894325079,1.517762987,1.14014167,1.065741666,0.847740777,0.645762644,0.623029837,0.281599524,3.826031221,3.425367144,2.964304381,2.870155422,2.580769006,2.351641537,2.333896408,1.973939486,1.975887946,1.633132217,1.338067904,1.281340261,1.117553765,0.936426255,0.909664532,0.592480328,3.914263847,3.545579281,3.189960473,3.120458301,2.918355799,2.722434598,2.698526822,2.36280732,1.863735208,1.475764379,1.062209558,0.979526324,0.733034767,0.520234954,0.499554272,0.149669214,3.782388761,3.524125291,3.031782762,2.89008541,2.646330098,2.593154795,2.375257876,1.99612859,2.045990545,1.573536915,1.288444683,1.203989675,1.019717595,0.856510127,0.677711039,0.53732127,0,0,1,0,3,4,3,0,1,0,0,0,0.058925565,0.210797386,0,0,0,0.044194174,0.154679608,1.562665513,0.144337567,0.719252524,0.144337567,1.258883476,0.125,0.463388348,0.088388348,3.660049158,3.621191225,4.654237548,2.726713562,2.651269389,3.151919866,9.353371151,5.455012907,5.506097793,4.32433312,2.40508429,1.939251017,1.048240148,0.291233373,0.779447596,0.454584409,0.305894322,0.205920625,0.120254214,0.080802126,0.058235564,0.041604768,8.828427125,4.767766953,4.578427125,3.465990258,1.86557765,1.407550955,0.691941738,0.172985435,0.73570226,0.397313913,0.254357062,0.165047155,0.093278883,0.058647956,0.038441208,0.024712205,17.41827804,30.87836854,29.25490196,29.6,19.98554491,243.7679401,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,3.94148,54.606,51.4511151,69.71731123,102.9022302,8.57518585,51.4511151,0.209722751,0.017476896,-1.874362627,83.68365958,6.973638298,5.312452479,108,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,4,5,0,1,0,0,0,0,0,0,0,0,4,1,3,0,0,0,0,0,0,3,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.596542423,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.325522959,0,0,0,1.205416667,1.566352041,0,0.325522959,0,0,0,0,0,0,0,0,9.016096466,4.0874452,3.758796296,0,0,0,0,0,0,4.509097222,0,0,0.378564815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.341990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.325522959,0,0,0,0.269027778,0.302324263,0,0.325522959,0,0,0,0,0,0,0,0,2.160648148,4.0874452,1.216435185,0,0,0,0,0,0,1.341990741,0,0,0.378564815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.0874452,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.325522959,0,0,0,0.333680556,0.333680556,0,0.325522959,0,0,0,0,0,0,0,0,2.338564815,4.0874452,1.283240741,0,0,0,0,0,0,1.591412037,0,0,0.378564815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.75,1.8125,0.333680556,4.0874452,4.17E-04,0.378564815,6.463466733,0.871435185,1.0874452,4.207083333,0.871435185,1.0874452,4.207083333,6,0.5,0,0,0.45,0.7,0.43333,0.43333,0.7,0.01667,0.01667,0,0,0.71429,0,0,0.41667,0.25,0.08333,8,0.66667,6,0.5,2,0.16667,-4,-0.33333,0,0,14.12958,1.17747,17.06361,2.93403,0.2445,4.36301,0.36358,5.45499,1.09199,0.091,0.45901,0.03825,0.54501,0.04542,0.1875,12,0,0,0,0,0,0,0.666666667,0.954434003,2.232236718,3.28768789,3.561278124,3.709868359,4.030639062,30.54188809,71.43157497,105.2060125,113.9609,118.7157875,128.98045,0.190886801,0.446447344,0.657537578,0.712255625,0.741973672,0.806127812,4.045565997,2.767763282,1.71231211,1.438721876,1.290131641,0.969360938,0.187605105,0.438772093,0.646233298,0.700010641,0.72921778,0.792268993,6.794779896,18.90636146,20.65708251,22.56614345,24.34922626,23.29848514,46.68191129,27.18026092,25.2436082,21.79323242,18.84285664,19.34191719,10.08333333,3.395061728,2.040816327,2,2,0,2.78,1.6048,2.519030196,5.259445099,6.077624224,2.305269779,1.650963624,4.797076866,2.381101578,1.310370697,1.650963624,0,0,0,0,0,0,0,0,0,0,0.003,0.155,0.135,0.266,0.514,5.47,18,21,20,24,18,7,0,0,0,132,2.708050201,3.218875825,3.433987204,3.433987204,3.784189634,3.688879454,2.995732274,0,0,0,5.356586275,1.598484848,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.083333333,5,0.416666667,0,3,6,1,4.5,2.666666667,1,0.844444444,0.236111111,0,0,0,0,0,0.375,0.148148148,0.055555556,0.084444444,0.039351852,0,0,0,0,0,0.7025,31.66204238,45.55946024,63.32408475,5.277007063,31.66204238,0.003839657,3.20E-04,-6.674846804,84.77139868,7.064283223,5.327949847,0,198.4788981,4.584962501,4.110873864,4.934473933,5.814130532,6.670766321,7.546974118,8.410720947,9.286096984,10.15140176,11.02661358,91.95205204,3.218875825,0,4.574710979,0,6.137727054,0,7.786967003,0,9.476160198,9.683277195,164.1565006,5.129890645,22.9951463,1.916262192,0,0,0,184,18,4.203,60,1.26778063,2.210929002,3.146902207,3.814751291,4.479516216,5.832421298,6.640528804,7.500782376,0,0,91.06263995,123.8483147,144.2814019,89.29609626,65.08572393,75.20070871,31.52954064,7.621274944,0,0,322.3628239,452.298075,601.1244266,477.2938214,387.8957269,526.3334796,393.3306584,233.1524024,0,0,9.265868608,15.86959194,22.68767967,26.90494391,30.96450726,40.56038285,45.50607464,50.39373636,0,0,2.371550615,3.434604859,4.776802451,4.235102603,3.740134735,5.147539039,4.447158568,3.334944641,0,0,179.0422308,333.6532474,464.8228918,606.8560741,761.3427065,970.85404,1156.906424,1387.027065,0,0,2.920942989,4.201305208,6.507352167,6.777176932,6.663241666,9.824160057,9.455405409,7.500782376,0,0,0.489029417,0.713537873,0.998996613,0.903726949,0.811682136,1.116970671,0.987450467,0.768080115,0,0,352.3821069,213.6882322,10.72758235,81.42055863,-49.37428689,-4.774407955,270.9615482,263.0625191,15.50199031,0.812309686,0.492593175,0.024729176,0.187690314,-0.113817389,-0.011005944,152.8642972,92.69852473,4.653653818,35.32045536,-21.41869726,-2.071150897,0.088139897,0.163554036,2.086323521,2.926682154,433.8026655,0,1,0,760.8810588,27.58407256,9.129330387,955.046405,30.90382509,9.847851507,1484.015673,38.52292399,11.40633605,1.710712933,1.710712933,994.7676144,917.2026151,294.0132045,1.084566919,3.383411354,3.119596675,4.968780539,4.743615834,8.411195525,0.773161196,5.772838505,7.960874131,6.137327496,23.50884395,18.68969896,17.32990566,15.5691777,27.56831653,13.60187804,9.720353145,7.409658906,7.970434505,5.809924235,4.619244184,4.459930816,0.590505092,8.79E-16,3.27E-52,2.35E-110,3.26E-190,8.71E-292,0,0,0,0,0,0,0,0,0,0.482207773,7.283294901,0.51254183,11.20750807,5.869695818,2.271945417,1.575055721,4.858174297,2.446077753,1.6903314,1.155479889,0.464091697,1.008142016,0.265552918,0.03145913,0.004158976,6.19E-18,2.30E-54,1.66E-112,2.29E-192,6.13E-294,0,0,0,0,0,0,0,0,0,1.557863774,7.328572767,1.475940647,13.00212897,7.625688406,4.842467982,3.439256398,7.657797683,3.63720822,2.86734222,1.828679119,1.350542603,1.728355714,0.937697784,0.327455655,0.043339733,6.45E-17,2.40E-53,1.72E-111,2.39E-191,6.39E-293,0,0,0,0,0,0,0,0,0,5.447437698,7.886482107,5.727627308,22.5023462,17.60032969,16.23007805,14.36142543,25.52850163,12.53473492,9.065289607,6.813315356,7.282455313,5.424007087,4.276110941,3.97375075,0.526129406,7.83E-16,2.91E-52,2.09E-110,2.90E-190,7.76E-292,0,0,0,0,0,0,0,0,0,2.297537092,7.387277284,2.19213682,14.44677732,9.086724482,6.756440299,5.013605526,10.12479802,4.777339667,3.812526686,2.469974811,2.150800998,2.299939156,1.463398284,0.71116062,0.094139691,1.40E-16,5.21E-53,3.75E-111,5.19E-191,1.39E-292,0,0,0,0,0,0,0,0,0,6.979368202,8.273682406,7.728468398,27.52319009,23.06892293,21.60416661,20.43952272,35.85830992,17.989251,12.33136803,9.860026619,10.77709537,7.343210272,5.976689528,6.504235101,0.86119618,1.28E-15,4.77E-52,3.43E-110,4.75E-190,1.27E-291,0,0,0,0,0,0,0,0,0,3.469815961,6.248699388,2.853709728,15.11309831,10.00481302,9.014986935,6.690076698,13.60461893,6.998047335,5.136175512,3.895350359,3.753195922,3.740791855,2.328714677,1.357788783,0.179749469,2.68E-16,9.96E-53,7.15E-111,9.91E-191,2.65E-292,0,0,0,0,0,0,0,0,0,6.163361407,1.82305833,1.235170378,0.668362108,0.197694574,0.528615287,0.52312365,0.43707419,9.221590116,21.10075644,44.20092764,0.502543162,1.488813127,4.929078277,1.132640452,0.662267022,0.733059001,0.168447777,0.338505207,0.197422057,0.124239911,6.723985752,9.597349863,20.01868859,0.599588501,0.660167176,5.391123528,1.391342688,0.87812518,0.703747694,0.181623404,0.404628626,0.300666654,0.219931106,7.660591396,13.45675467,27.70407549,0.555621541,0.925226386,6.129804763,1.804316268,1.219736946,0.669641672,0.197109926,0.522876126,0.512154397,0.426195579,9.153857977,20.73764701,43.38192545,0.504462508,1.461226102,5.608564683,1.512987767,0.979085612,0.692360854,0.1867739,0.43783162,0.356972066,0.273957323,8.100638062,15.4582993,31.86715411,0.53854128,1.068761009,6.269506379,1.882332001,1.283945567,0.664439374,0.199488671,0.546979864,0.558601422,0.472329502,9.435783947,22.26780924,46.85581036,0.496659061,1.577910788,6.155794022,1.804955764,1.226224462,0.670056741,0.196469013,0.527310084,0.513410296,0.433522124,9.186974248,20.87260203,43.68407767,0.505085111,1.474242504 +UMLS0277,L,"1,2,4-trimethyl-4-isopropenylcyclohexene",CC1=C(CC(CC1)(C)C(=C)C)C,252329,,UML,[1],C12H20,UML,,16.6,0,0.5524,0.30514576,33.7512,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1516.485775,813.449451,220.131072,21.337344,0,0,3885.475125,5223.921076,7758.63172,8237.925345,5757.609485,2643.963217,652.758633,0,0,167.819552,174.20624,341.883496,485.2951,497.372268,288.562176,141.087744,0,0,29.42500648,40.12790896,63.51436973,73.84555631,57.77506978,29.37664449,9.336871002,0,0,3973.037281,3464.315612,7404.551417,11080.65075,12249.43814,7257.819716,3883.270693,0,0,36.55555556,44.5,75.19444444,102.5833333,94.33333333,55,21,0,0,48.76541633,56.15943233,37.32917321,21.97805471,11.29790904,5.241216,1.016064,0,0,161.8947969,217.6633782,161.6381608,119.3902224,79.96679841,62.95150517,31.08374443,0,0,6.992481333,7.258593333,7.122572833,7.033262319,6.907948167,6.870528,6.718464,0,0,1.226041937,1.671996207,1.323216036,1.070225454,0.802431525,0.699443916,0.444612905,0,0,165.54322,144.3464838,154.2614879,160.5891412,170.1310852,172.8052313,184.917652,0,0,1.523148148,1.854166667,1.566550926,1.486714976,1.310185185,1.30952381,1,0,0,0.032199942,-0.002797727,-0.003697588,-0.018142177,0.001119485,-0.004814924,0.012232959,0,0,645.6853813,6.61E-13,-80.71067267,-403.5533633,-40.35533633,-80.71067267,282.4873543,0,0,1200.679538,0,-150.0849423,-750.4247115,-75.04247115,-150.0849423,525.297298,0,0,0.126485333,2.94E-15,-0.015810667,-0.079053333,-0.007905333,-0.015810667,0.055337333,0,0,5.367596186,1.23E-14,-0.670949523,-3.354747616,-0.335474762,-0.670949523,2.348323331,0,0,29.15686767,-1.14E-13,-3.644608459,-18.22304229,-1.822304229,-3.644608459,12.75612961,0,0,2.314814815,-0.888888889,0.342592593,-1.233796296,0.768518519,-0.939814815,0.793981481,0,0,0.001341664,-1.17E-04,-7.70E-05,-2.63E-04,1.55E-05,-1.15E-04,5.83E-04,0,0,26.90355756,2.75E-14,-1.681472347,-5.848599469,-0.560490782,-1.921682683,13.45177878,0,0,50.0283141,0,-3.126769631,-10.87572046,-1.042256544,-3.573451007,25.01415705,0,0,0.005270222,1.22E-16,-3.29E-04,-0.0011457,-1.10E-04,-3.76E-04,0.002635111,0,0,0.223649841,5.11E-16,-0.013978115,-0.048619531,-0.004659372,-0.015974989,0.111824921,0,0,1.214869486,-4.74E-15,-0.075929343,-0.264102062,-0.025309781,-0.086776392,0.607434743,0,0,0.096450617,-0.037037037,0.007137346,-0.017881106,0.010673868,-0.022376543,0.037808642,0,0,-0.086886076,-0.057416064,-0.195973098,0.011588896,-0.085446892,0.434178552,0,0,1.02E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,0,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,2.32E-14,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,2.29E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,-3.90E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,-0.384,0.074,-0.185391304,0.110666667,-0.232,0.392,0,0,1.52427482,1.164805064,1.242354694,0.820810083,0.919861694,0.002465251,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.909,0.78775,1.196,0.732166667,1.360285714,0,0,0,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,35.83226547,17.82585496,25.82505281,35.72762192,4.46595274,17.82585502,-0.180555556,0.003886333,4.86E-04,-4.440231442,56.95949686,7.119937107,3.233872347,0,11.89,12.11011416,-0.163184458,0.057757171,5.99173565,8.131494617,8,24,24,24,8,0,0,0,0,0,17.491312,3.657350533,3.042364541,2.853663763,2.228199052,2.17548746,1.377970367,1.099508061,0.848898167,2.009882053,1.585950347,1.461105401,1.122580275,1.066605404,0.622488404,0.413035098,0.330410394,3.680932934,3.078435564,2.895085076,2.297520321,2.243749091,1.481273271,1.209688389,0.983826043,1.957719315,1.506815679,1.37483188,1.009371871,0.952794097,0.47545632,0.259521562,0.166688749,3.784792767,3.239284907,3.077882533,2.587690342,2.531187307,1.901999654,1.656579633,1.505179962,1.805580128,1.271648566,1.11426999,0.642452217,0.585704835,0.021015099,0.262056834,0.403334114,3.698311237,3.105160529,2.925676806,2.347875851,2.293440723,1.555731248,1.289020676,1.079174122,1.924629286,1.45612622,1.31921624,0.934416605,0.877571657,0.376614638,0.156092313,0.055506268,3.83554735,3.318282267,3.166469981,2.719383743,2.662420938,2.08581738,1.850629028,1.722040714,1.758439799,1.19828528,1.031595087,0.516627122,0.460560939,0.199076829,0.450448455,0.616550127,3.693337584,3.202528088,2.992569805,2.501366942,2.414575883,1.676969391,1.403180493,1.232251244,1.913934192,1.349624362,1.230310518,0.753942722,0.722583699,0.2174035,7.08E-04,0.124359124,0,0,0,0,0,2,4,2,0,0,0,0,0.083333333,0.166666667,0,0,0,0.083333333,0.166666667,0.577350269,0,0,0,0.577350269,0,0,0,0.741581624,1.093412989,1.020220057,0.741581624,1.093412989,1.020220057,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,30.91733718,41.28122386,61.83467437,7.729334296,30.91733718,1.11E-16,1.39E-17,-29.38944046,4000010.293,500001.2866,12.16144599,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.741388889,0,5.899814815,0,0,0,2.025462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.472222222,0,0,0,1.012731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.476527778,0,0,0,1.012731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.370694444,0.2,1.012731481,5.7528125,0.320601852,0.370694444,1.482777778,0.320601852,0.370694444,1.482777778,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.42549,1.05319,8.42549,0,0,3.78768,0.47346,3.78768,0,0,0.12632,0.01579,0.21232,0.02654,0.25,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.605388542,3.105388542,3.105388542,3.105388542,22.03910002,34.03910002,62.52932501,74.52932501,74.52932501,74.52932501,0.200284263,0.309336409,0.568246423,0.677298569,0.677298569,0.677298569,3.666666667,3.166666667,1.979573959,1.479573959,1.479573959,1.479573959,0.200284263,0.309336409,0.568246423,0.677298569,0.677298569,0.677298569,6.73287657,12.73287657,16.67730206,17.18121457,17.18121457,17.18121457,31.59900002,23.74937501,20.87142917,19.56315834,19.56315834,19.56315834,6.125,2.52,1.8,0,0,0,2.34,1.1272,0.25,3.039342743,2.309401077,0,3.532775529,5.111544834,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,10,11,10,5,0,0,0,0,62,2.197224577,2.397895273,2.397895273,2.48490665,2.397895273,1.791759469,0,0,0,0,4.143134726,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,2,0.666666667,0.5,0.222222222,0,0,0,0,0,0,0.25,0.066666667,0.071428571,0.074074074,0,0,0,0,0,0,0.462169312,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,0,134.567877,4,3.610917913,4.343805422,5.141663557,5.888877958,6.690842277,7.44132039,8.24407127,8.995288991,9.798182591,76.15497037,2.833213344,0,4.043051268,0,5.451038454,0,6.947937069,0,8.479906607,8.727292029,112.1252005,4.671883355,15.53295821,1.941619777,0,0,0,61,7,4.43,36,1.224166127,2.094794846,2.815360989,3.489894013,4.439762854,5.234822833,0,0,0,0,78.54273178,86.43663066,67.8113012,45.08600372,24.51685715,5.318915027,0,0,0,0,289.3400736,361.1040737,354.6330967,300.4382172,288.8958816,162.7178951,0,0,0,0,8.917064339,14.96718785,19.8493851,24.17740647,30.5483984,35.16996875,0,0,0,0,2.17096299,2.906091803,3.130761575,2.946641408,3.180581352,2.327469786,0,0,0,0,174.752874,319.837531,448.5568451,588.4393715,763.6391302,968.0111471,0,0,0,0,2.316970341,3.363889538,4.261770818,4.721366424,5.924555878,5.234822833,0,0,0,0,0.449298446,0.609779712,0.667645828,0.640414087,0.702831927,0.536045858,0,0,0,0,319.7742077,131.5526727,8.141823588,80.41420178,-33.08178994,-4.13130653,239.3600059,164.6344627,12.27313012,0.799059143,0.328726844,0.020344976,0.200940857,-0.082665537,-0.010323404,127.9699316,52.64585487,3.258263432,32.18083151,-13.2389489,-1.653300989,0.072048215,0.151462109,1.219298384,1.257505672,400.1884095,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,944.3601888,30.73044401,9.810983759,1.450520005,1.450520005,381.2891891,275.4956943,155.7912984,1.384011427,2.447435723,1.768363812,3.772133311,3.780722771,6.119384403,0.618575276,4.463030408,6.04063106,10.54903683,10.27695489,18.11070208,7.982806813,8.977707478,8.889325298,6.051727121,1.418965368,2.063211621,5.11E-07,2.09E-34,1.66E-83,2.53E-154,7.43E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375119018,5.574379929,0.709898736,4.143463853,0.980576918,1.563715784,1.875205062,0.452500548,0.215868777,0.048916832,0.014531368,3.60E-09,1.48E-36,1.17E-85,1.78E-156,5.23E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.209548666,5.605536529,2.36556285,4.903279592,3.501264153,2.643424374,2.573215013,1.406741644,0.88926181,0.204144599,0.15142806,3.75E-08,1.54E-35,1.22E-84,1.85E-155,5.45E-248,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212771325,5.989441044,9.821913408,9.727356866,16.71675408,7.508268493,8.276948801,8.101173223,5.511268929,1.291073351,1.83828441,4.55E-07,1.87E-34,1.48E-83,2.25E-154,6.62E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.782358525,5.645931995,3.606852369,5.57100193,5.521412669,3.453069916,3.275590724,2.289802073,1.505279484,0.347648947,0.328921981,8.15E-08,3.34E-35,2.64E-84,4.03E-155,1.18E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389627238,6.255877998,13.3829241,12.50955793,23.66387409,9.832420878,11.87426607,12.11594233,8.260800307,1.94247179,3.009000246,7.45E-07,3.06E-34,2.42E-83,3.68E-154,1.08E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.967193635,5.314903157,6.001497642,7.323199855,9.59201458,5.152280359,5.42735884,4.72040677,3.229093153,0.767965652,0.822998542,2.04E-07,8.36E-35,6.61E-84,1.01E-154,2.96E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.058983373,1.717931863,0.67707967,0.560870229,0.314985968,0.522422968,0.507720656,0.420623378,5.453994906,8.489477195,17.5016104,0.341305344,1.450767002,2.233968092,1.169777309,0.222885384,0.615989943,0.322552082,0.279600997,0.235449416,0.046118985,3.626630785,3.371890284,7.580975225,0.423984915,0.561169398,2.561347011,1.387521326,0.403532162,0.588490653,0.318794497,0.366920236,0.331241845,0.150505751,4.3524005,5.147418981,10.93394196,0.382735979,0.848667832,3.038531807,1.704364152,0.66585856,0.561780313,0.315112129,0.515490141,0.499735204,0.406921799,5.408754519,8.33686256,17.19394188,0.34267047,1.422147145,2.707405743,1.484562455,0.483937736,0.579012021,0.317491942,0.409710374,0.379182186,0.216003492,4.675905934,6.047964516,12.66896764,0.368518031,1.004896052,3.123018961,1.760407985,0.712203533,0.55811744,0.314604045,0.544431012,0.533129594,0.464948749,5.595630479,8.975781441,18.48695561,0.337176161,1.542509355,3.054454474,1.707393034,0.667643312,0.562567389,0.314466511,0.52083036,0.501525612,0.40879914,5.42949082,8.394369934,17.30572364,0.343851083,1.431155113 +UMLS0278,L,"trans-1,3-dimethylcyclohexane",C[C@H]1CCC[C@@H](C1)C,252362,Sandia values from independent api report ,Sandia,,C8H16,PubChem,,2.7,0,0.5622,0.31606884,44.4164,34.029446,0,0,33,11,22,0,11,0,0,0,0,0,0,0,0,0,1609.258739,1853.261267,2615.057943,2724.112286,2062.482417,1269.616157,479.541049,88.985232,6.096384,5342.528297,7182.891479,10949.52788,13162.6645,12104.21596,8665.325063,4544.88045,1444.027926,186.5024666,230.751884,239.53358,470.119452,678.83468,817.009668,745.671092,473.9761,223.705152,40.310784,40.45938391,55.17587482,88.59028873,112.9630169,112.5852466,86.49688541,49.07693125,18.01688289,2.667677429,5462.926262,4763.433967,10188.09184,15157.84261,19236.34447,18408.68577,11938.11219,5943.306995,1109.505912,50.84027778,61.875,103.6666667,149.6666667,170.5416667,142.75,87,36.5,6,48.76541633,56.15943233,39.62209005,28.37616965,17.62805485,11.75570516,6.949870275,2.696522182,1.016064,161.8947969,217.6633782,165.9019376,137.1110885,103.4548373,80.23449132,65.8678326,43.758422,31.08374443,6.992481333,7.258593333,7.123022,7.071194583,6.982988615,6.904361963,6.869218841,6.778944,6.718464,1.226041937,1.671996207,1.342277102,1.176698093,0.962267065,0.800897087,0.711259873,0.545966148,0.444612905,165.54322,144.3464838,154.3650279,157.8941939,164.4132006,170.4507941,173.0161187,180.100212,184.917652,1.540614478,1.875,1.570707071,1.559027778,1.457621083,1.321759259,1.260869565,1.106060606,1,0.043875903,-0.006096947,0.001155525,-0.012934501,-0.018074991,0.00178938,-0.001988761,0.010552293,0.003660051,887.8173993,-1.58E-12,40.35533633,-403.5533633,-443.9086997,40.35533633,1.12E-12,242.132018,80.71067267,1650.934365,5.83E-13,75.04247115,-750.4247115,-825.4671826,75.04247115,-5.47E-13,450.2548269,150.0849423,0.173917333,2.49E-15,0.007905333,-0.079053333,-0.086958667,0.007905333,-2.24E-15,0.047432,0.015810667,7.380444756,2.64E-14,0.335474762,-3.354747616,-3.690222378,0.335474762,-2.01E-14,2.01284857,0.670949523,40.09069305,-4.26E-13,1.822304229,-18.22304229,-20.04534652,1.822304229,3.64E-13,10.93382538,3.644608459,3.36026936,-1.398358586,0.710016835,0.011497551,-1.676729415,0.064623508,-0.24508341,0.615109428,0.238789409,0.001329573,-1.85E-04,1.75E-05,-1.35E-04,-1.54E-04,1.66E-05,-2.88E-05,3.20E-04,6.10E-04,26.90355756,-4.80E-14,0.61144449,-4.203680868,-3.79409145,0.373660522,1.62E-14,7.337333879,13.45177878,50.0283141,1.77E-14,1.137007139,-7.816924078,-7.055275065,0.694837696,-7.93E-15,13.64408566,25.01415705,0.005270222,7.54E-17,1.20E-04,-8.23E-04,-7.43E-04,7.32E-05,-3.24E-17,0.001437333,0.002635111,0.223649841,8.01E-16,0.005082951,-0.034945288,-0.031540362,0.003106248,-2.92E-16,0.060995411,0.111824921,1.214869486,-1.29E-14,0.02761067,-0.189823357,-0.171327748,0.016873187,5.28E-15,0.331328042,0.607434743,0.101826344,-0.042374503,0.010757831,1.20E-04,-0.014331021,5.98E-04,-0.003551933,0.01863968,0.039798235,-0.138958903,0.01316811,-0.1013366,-0.116193038,0.012461394,-0.021678103,0.240503146,0.458800393,-1.78E-15,0.022727273,-0.15625,-0.141025641,0.013888889,6.03E-16,0.272727273,0.5,3.53E-16,0.022727273,-0.15625,-0.141025641,0.013888889,-1.58E-16,0.272727273,0.5,1.43E-14,0.022727273,-0.15625,-0.141025641,0.013888889,-6.15E-15,0.272727273,0.5,3.58E-15,0.022727273,-0.15625,-0.141025641,0.013888889,-1.30E-15,0.272727273,0.5,-1.06E-14,0.022727273,-0.15625,-0.141025641,0.013888889,4.34E-15,0.272727273,0.5,-0.41614479,0.105648798,0.00117618,-0.140739813,0.005876336,-0.034882265,0.183053607,0.390844188,1.597675529,1.072280653,1.171884967,1.113816805,0.848441949,0.833755552,0.378802006,0.004555276,1.454545455,1.190082645,1.272727273,1.1002331,0.808080808,0.758893281,0.330578512,0,1.454545455,1.190082645,1.272727273,1.1002331,0.808080808,0.758893281,0.330578512,0,1.454545455,1.190082645,1.272727273,1.1002331,0.808080808,0.758893281,0.330578512,0,1.454545455,1.190082645,1.272727273,1.1002331,0.808080808,0.758893281,0.330578512,0,1.454545455,1.190082645,1.272727273,1.1002331,0.808080808,0.758893281,0.330578512,0,1.963927856,0.751503006,1.072238226,1.246056215,0.865230461,0.84534286,0.396793587,0,56.19452724,28.09726362,41.0630079,56.19452724,5.108593385,28.09726362,1.42E-14,0.018854296,0.001714027,-4.368115921,159.5976451,14.50887683,5.579921523,56.19452724,28.09726362,41.0630079,56.19452724,5.108593385,28.09726362,1.42E-14,0.018854296,0.001714027,-4.368115921,159.5976451,14.50887683,5.579921523,56.19452724,28.09726362,41.0630079,56.19452724,5.108593385,28.09726362,1.42E-14,0.018854296,0.001714027,-4.368115921,159.5976451,14.50887683,5.579921523,56.19452724,28.09726362,41.0630079,56.19452724,5.108593385,28.09726362,1.42E-14,0.018854296,0.001714027,-4.368115921,159.5976451,14.50887683,5.579921523,56.19452724,28.09726362,41.0630079,56.19452724,5.108593385,28.09726362,1.42E-14,0.018854296,0.001714027,-4.368115921,159.5976451,14.50887683,5.579921523,56.19452724,28.09726362,41.0630079,56.19452724,5.108593385,28.09726362,1.42E-14,0.018854296,0.001714027,-4.368115921,159.5976451,14.50887683,5.579921523,69.81252642,34.69136759,51.93616701,69.64114212,6.33101292,34.69136759,-0.269318182,0.011943597,0.001085782,-4.870315912,65.06268816,5.914789832,4.592886362,0,11.9,12.10019524,-0.151268311,0.048953514,5.934087939,10.24163277,11,33,33,33,11,0,0,0,0,0,24.050554,3.713355753,3.349010855,2.803997379,2.750129472,2.580109821,2.333552793,1.735195793,1.456797487,2.032765323,1.794523966,1.483412273,1.372874417,1.258052066,1.249629723,0.830889752,0.666206401,3.733980863,3.378704902,2.851707298,2.792995694,2.628665398,2.405454588,1.823508007,1.556142907,1.98414006,1.729017897,1.390033288,1.285229005,1.165322865,1.134540686,0.697483054,0.522081792,3.826161592,3.510144846,3.060452497,2.981537655,2.838214175,2.704236987,2.187406206,1.9628467,1.844866683,1.53651442,1.10152534,1.018928274,0.879091306,0.76031856,0.254902455,0.037619229,3.749253275,3.400633918,2.88687244,2.824624264,2.664259276,2.457539916,1.887365323,1.62787375,1.953512398,1.687295038,1.32928669,1.228596505,1.105068189,1.058262671,0.608379815,0.425347018,3.871975619,3.574526763,3.160121092,3.072480534,2.937303389,2.838982085,2.349072953,2.141548494,1.802568435,1.476728455,1.00794988,0.933903671,0.785837671,0.631337262,0.099242694,0.135164289,3.727923529,3.439856999,3.049586377,2.841111579,2.710772054,2.698457223,2.029168846,1.737346925,1.963330609,1.625982019,1.173365883,1.170615037,1.007463198,0.821679972,0.437908724,0.277130536,0,0,0,0,0,3,6,1,1,0,0,0,0.102062073,0.051031036,0,0,0,0.102062073,0.051031036,1.194814383,0.204124145,0.348461713,0.102062073,1.194814383,0.204124145,0.348461713,0.102062073,2.342261593,2.638227255,2.54129406,2.342261593,2.638227255,2.54129406,8.319990956,5.165831887,4.677068452,3.621574357,2.172738226,1.513420006,0.637136847,0.378355001,0.756362814,0.469621081,0.311804563,0.213033786,0.135796139,0.09458875,0.063713685,0.047294375,8.319990956,5.165831887,4.677068452,3.621574357,2.172738226,1.513420006,0.637136847,0.378355001,0.756362814,0.469621081,0.311804563,0.213033786,0.135796139,0.09458875,0.063713685,0.047294375,16.96010584,31.76620539,29.98039216,30.36,19.7840994,253.310806,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,4.0029,50.647,45.93735134,66.50730663,91.87470267,8.352245698,45.93735134,0.321355996,0.029214181,-1.248726322,42.4755007,3.861409155,4.123820201,99,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,3,0,6,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,7.195018896,0,8.761740363,0,0,0,1.015046296,0,0,0,0,0,0.611527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.327981859,0,1.344907407,0,0,0,1.015046296,0,0,0,0,0,0.611527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.433518519,0,1.486944444,0,0,0,1.015046296,0,0,0,0,0,0.611527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.58333333,1.598484848,0.2,2.433518519,0,0.611527778,7.912626,0.638472222,0.433518519,2.390037793,0.638472222,0.433518519,2.390037793,5.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.27273,0.09091,0.09091,5.5,0.5,5.5,0.5,0,0,-5.5,-0.5,0,0,14.18916,1.28992,14.18916,0,0,5.16583,0.46962,5.16583,0,0,0.24817,0.02256,0.33417,0.03038,0.181818182,11,0,0,0,0,0,0,1,0.918295834,1.457359025,2.527465331,3.247902831,3.400010407,2.840483333,30.30376252,48.09284782,83.40635591,107.1807934,112.2003434,93.73594999,0.18204284,0.288906654,0.501044381,0.643863813,0.674017598,0.563097027,4.126098285,3.587035094,2.516928789,1.796491288,1.644383712,2.203910786,0.18204284,0.288906654,0.501044381,0.643863813,0.674017598,0.563097027,6.73287657,13.20163486,17.19633464,19.09150234,17.2462229,14.84703233,43.44862503,32.17276112,28.13690041,23.66238858,26.30967147,32.05020846,9.090909091,3.6,2.214532872,5,0,4,2.67,1.5499,1.144714243,5.206595347,1.310370697,2.381101578,6.945629182,3.532775529,2.620741394,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.14,0.131,0.159,0.212,4.979,15,17,16,16,10,8,2,0,0,106,2.48490665,2.772588722,2.890371758,2.833213344,2.833213344,2.397895273,2.197224577,1.098612289,0,0,4.672828834,1,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.181818182,5,0.454545455,1,3,6,1,3,1.777777778,0.6875,0.248888889,0.215277778,0.04,0,0,0,0,0.272727273,0.118518519,0.049107143,0.027654321,0.043055556,0.04,0,0,0,0,0.551062811,28.09726362,41.0630079,56.19452724,5.108593385,28.09726362,0.018854296,0.001714027,-4.368115921,159.5976451,14.50887683,5.579921523,0,186.4558309,4.459431619,3.970291914,4.762173935,5.609471795,6.428105273,7.278628942,8.103796713,8.954286157,9.781828264,10.63183294,87.52041594,3.135494216,0,4.418840608,0,5.932245187,0,7.527793988,0,9.159362817,9.380251909,154.1721507,4.671883355,21.29089635,1.935536032,0,0,0,150,14,6.174,52,1.23112082,2.111884478,2.872137528,3.517525999,4.024720167,4.975772755,5.819038997,7.033430929,0,0,79.5460444,93.95385715,86.83283909,68.5735205,55.15622163,37.83353435,16.75312331,7.146415963,0,0,292.2855035,378.1502207,411.54469,379.7447956,353.6873426,342.9517238,262.6416514,218.6253695,0,0,8.96950631,15.09965195,20.35978516,24.58698971,27.89158562,34.23800527,39.48515947,47.25385249,0,0,2.190358932,2.999540281,3.495584675,3.472594655,3.436653833,3.649923688,3.241047887,3.127154156,0,0,175.6346898,322.0202078,449.7242661,576.7645892,678.079255,856.3421276,1044.965804,1300.605533,0,0,2.352234177,3.423188182,4.565502509,5.171264671,5.516037028,6.389248265,6.508154314,7.033430929,0,0,0.453210461,0.627901307,0.740485681,0.745738633,0.74592979,0.803346418,0.730362816,0.720223327,0,0,377.0703127,211.4014376,9.576060416,91.4841271,-51.28983993,-4.981879949,285.5861857,262.6912775,14.55794037,0.804752406,0.451177963,0.020437455,0.195247594,-0.109463993,-0.010632446,176.6779692,99.05308217,4.486905624,42.86529393,-24.03208222,-2.334281969,0.054569794,0.115550831,0.578246697,0.91574729,468.5544398,0,1,0,744.9667435,27.29407891,9.065232808,958.0815373,30.95289223,9.858272615,1446.991154,38.03933693,11.31067765,1.508605304,1.453219542,696.0412498,638.5785015,260.7322648,1.08998541,2.669563164,2.4491733,4.457837923,4.466158665,7.285318514,0.63122698,6.136472113,9.688762584,10.30443224,29.0475997,22.56783917,22.60779744,19.71546776,19.94515257,16.96762355,12.66668208,7.911347374,3.407279662,3.240636014,0.009974898,6.57E-23,8.36E-65,2.05E-128,9.70E-214,8.85E-321,0,0,0,0,0,0,0,0,0,0,0,0.515556442,8.454499814,0.675972923,11.26178518,2.048420538,3.142691652,2.148117476,3.731905489,0.98529156,0.757063251,0.665971593,0.15025819,0.022825347,7.03E-05,4.63E-25,5.88E-67,1.44E-130,6.83E-216,6.4E-323,0,0,0,0,0,0,0,0,0,0,0,1.662899729,8.584489216,2.282110959,13.54545342,4.845227507,5.723299413,4.19330771,6.107858662,3.130083035,2.64503093,1.414671623,0.574462541,0.237847643,7.32E-04,4.82E-24,6.13E-66,1.50E-129,7.12E-215,6.47E-322,0,0,0,0,0,0,0,0,0,0,0,5.79236176,9.570060052,9.587899137,27.48231318,20.81933757,20.92348937,18.09496545,18.62234209,15.59384687,11.74547439,7.209457483,3.122762635,2.887349228,0.008887455,5.85E-23,7.44E-65,1.83E-128,8.64E-214,7.885E-321,0,0,0,0,0,0,0,0,0,0,0,2.45051654,8.709932328,3.491338909,15.51301159,7.178355673,7.908307992,6.054726617,8.016056317,4.934236858,4.102301201,2.145452797,0.937111529,0.516633708,0.001590221,1.05E-23,1.33E-65,3.27E-129,1.55E-214,1.413E-321,0,0,0,0,0,0,0,0,0,0,0,7.410560046,10.17724896,13.10172808,35.38412626,29.60074309,29.4034199,26.33431237,25.21789517,22.50299024,16.29562527,10.80344764,4.557370634,4.726158883,0.014547452,9.58E-23,1.22E-64,2.99E-128,1.41E-213,1.2905E-320,0,0,0,0,0,0,0,0,0,0,0,4.075545161,8.07063627,5.342524758,20.45254108,12.20583858,12.91612304,10.35989691,12.01868728,9.126391171,7.197831608,4.00036431,1.805783585,1.268280868,0.003903835,2.57E-23,3.27E-65,8.02E-129,3.80E-214,3.463E-321,0,0,0,0,0,0,0,0,0,0,0,4.22880747,1.634392847,1.206076074,0.598195238,0.231196626,0.537452897,0.543077236,0.414050947,7.069276391,13.9829983,29.38810889,0.397292856,1.49458108,3.495373228,1.031858696,0.659681164,0.67388313,0.198935027,0.36697137,0.216013837,0.124138069,5.186913088,6.593260886,14.15946665,0.510824695,0.707123277,3.78662799,1.271188381,0.876710322,0.638067395,0.214202151,0.430773116,0.328124673,0.219064679,5.934526693,9.247757323,19.4023445,0.457101093,0.977962467,4.210645652,1.619478028,1.192550699,0.599578654,0.230607022,0.532837892,0.533185246,0.404837332,7.022674379,13.77176619,28.92650117,0.399367981,1.47086047,3.916470273,1.377857664,0.973440911,0.624858761,0.21983224,0.460870547,0.385646044,0.269969189,6.267768848,10.55005399,22.07083958,0.437288141,1.11648578,4.285668525,1.681086465,1.248419857,0.593979857,0.232993171,0.552030872,0.574636209,0.443563235,7.215174847,14.65359476,30.86310954,0.390969786,1.570230316,4.220012365,1.62359879,1.197695583,0.599322331,0.230582028,0.53520017,0.536021136,0.40837861,7.041306738,13.85047424,29.09792038,0.398983496,1.479599916 +UMLS0279,L,tert-amylcyclohexane,CCC(C)(C)C1CCCCC1,252363,,UML,[1],C11H22,PubChem,,5.3,0,1.5646,2.44797316,40.3153,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,2348.706878,2108.61673,1042.553739,266.698656,27.433728,0,0,4371.159516,5876.91121,9347.561072,10803.95123,8164.789769,3557.278827,839.2610996,0,0,188.796996,195.98202,384.684152,540.378856,699.392748,450.603648,181.398528,0,0,33.10313229,45.14389758,74.22133273,93.3557476,82.70960931,41.38521701,12.00454843,0,0,4469.666941,3897.355064,8345.154354,11755.57296,17039.73817,11632.25316,4992.776605,0,0,43.61805556,52.54166667,86.15277778,129,141.25,84,27,0,0,48.76541633,56.15943233,43.49457181,27.74495697,10.32231425,4.040888727,1.016064,0,0,161.8947969,217.6633782,173.1029828,142.1572531,80.83950266,53.89816405,31.08374443,0,0,6.992481333,7.258593333,7.123780593,7.110248105,6.924680673,6.827328,6.718464,0,0,1.226041937,1.671996207,1.374469125,1.2283651,0.818907023,0.627048743,0.444612905,0,0,165.54322,144.3464838,154.5398954,154.6785916,168.7102789,176.2462599,184.917652,0,0,1.615483539,1.945987654,1.595421811,1.697368421,1.398514851,1.272727273,1,0,0,0.034783716,-0.007174393,0.012994021,-0.028954172,-0.012872209,0.003915373,0.014699522,0,0,726.396054,6.32E-13,242.132018,-753.2996116,-376.6498058,161.4213453,363.198027,0,0,1350.764481,-7.53E-13,450.2548269,-1400.792795,-700.3963974,300.1698846,675.3822403,0,0,0.142296,2.05E-15,0.047432,-0.147566222,-0.073783111,0.031621333,0.071148,0,0,6.038545709,1.73E-14,2.01284857,-6.26219555,-3.131097775,1.341899046,3.019272855,0,0,32.80147613,-1.98E-13,10.93382538,-34.01634562,-17.00817281,7.289216918,16.40073807,0,0,3.488168724,-2.014660494,1.829218107,-1.767365874,-0.31273815,-0.775091449,1.296553498,0,0,0.001288286,-2.66E-04,2.41E-04,-3.81E-04,-1.27E-04,5.93E-05,5.44E-04,0,0,26.90355756,2.34E-14,4.483926259,-9.911836994,-3.729205998,2.44577796,13.45177878,0,0,50.0283141,-2.79E-14,8.33805235,-18.43148414,-6.934617796,4.548028554,25.01415705,0,0,0.005270222,7.59E-17,8.78E-04,-0.001941661,-7.31E-04,4.79E-04,0.002635111,0,0,0.223649841,6.39E-16,0.037274974,-0.08239731,-0.031000968,0.020331804,0.111824921,0,0,1.214869486,-7.34E-15,0.202478248,-0.447583495,-0.168397751,0.110442681,0.607434743,0,0,0.129191434,-0.074617055,0.033874409,-0.023254814,-0.003096417,-0.01174381,0.0480205,0,0,-0.206257239,0.186783111,-0.295723166,-0.09892806,0.04604866,0.422597797,0,0,8.71E-16,0.166666667,-0.368421053,-0.138613861,0.090909091,0.5,0,0,-5.58E-16,0.166666667,-0.368421053,-0.138613861,0.090909091,0.5,0,0,1.44E-14,0.166666667,-0.368421053,-0.138613861,0.090909091,0.5,0,0,2.86E-15,0.166666667,-0.368421053,-0.138613861,0.090909091,0.5,0,0,-6.04E-15,0.166666667,-0.368421053,-0.138613861,0.090909091,0.5,0,0,-0.57756968,0.262203215,-0.180002755,-0.023967667,-0.090902388,0.371700339,0,0,1.654231547,0.83369504,1.47546226,0.996203029,0.735819764,1.76E-05,0,0,1.444444444,1.043209877,1.539473684,0.98679868,0.590909091,0,0,0,1.444444444,1.043209877,1.539473684,0.98679868,0.590909091,0,0,0,1.444444444,1.043209877,1.539473684,0.98679868,0.590909091,0,0,0,1.444444444,1.043209877,1.539473684,0.98679868,0.590909091,0,0,0,1.444444444,1.043209877,1.539473684,0.98679868,0.590909091,0,0,0,2.124170476,0.513788527,1.352289485,0.950939652,1.016422893,0,0,0,36.2398788,18.1199394,24.91691897,36.2398788,4.0266532,18.11993945,3.55E-15,0.050633264,0.005625918,-2.684831867,38.73823212,4.304248013,3.29114432,36.2398788,18.1199394,24.91691897,36.2398788,4.0266532,18.11993945,3.55E-15,0.050633264,0.005625918,-2.684831867,38.73823212,4.304248013,3.29114432,36.2398788,18.1199394,24.91691897,36.2398788,4.0266532,18.11993945,3.55E-15,0.050633264,0.005625918,-2.684831867,38.73823212,4.304248013,3.29114432,36.2398788,18.1199394,24.91691897,36.2398788,4.0266532,18.11993945,3.55E-15,0.050633264,0.005625918,-2.684831867,38.73823212,4.304248013,3.29114432,36.2398788,18.1199394,24.91691897,36.2398788,4.0266532,18.11993945,3.55E-15,0.050633264,0.005625918,-2.684831867,38.73823212,4.304248013,3.29114432,36.2398788,18.1199394,24.91691897,36.2398788,4.0266532,18.11993945,3.55E-15,0.050633264,0.005625918,-2.684831867,38.73823212,4.304248013,3.29114432,46.94398114,23.30362637,32.42432312,46.68208128,5.18689792,23.30362637,-0.336728395,0.0302142,0.003357133,-3.149498952,41.50741997,4.611935552,3.353284985,0,11.89,12.11013444,-0.156662107,0.065178775,6.130554251,9.653311194,9,27,27,27,9,0,0,0,0,0,19.677726,3.754847789,3.042450648,2.848289381,2.333552793,2.253935042,2.137789333,1.470640813,0.911232329,1.89089223,1.815722592,1.441566972,1.249629723,1.153475596,1.063246691,0.487084978,0.369849146,3.773899287,3.078445809,2.892395212,2.405454588,2.324231019,2.204914306,1.554291534,1.039069824,1.838183287,1.754925806,1.344883517,1.134540686,1.039457309,0.948543316,0.342211009,0.21226765,3.859171839,3.239714181,3.086814462,2.704236987,2.61816053,2.489324561,1.904171466,1.540519967,1.689999688,1.578124352,1.043621729,0.76031856,0.669574795,0.578041737,0.141918365,0.325363808,3.788010164,3.105161818,2.924971156,2.457539916,2.375273411,2.253881136,1.615073185,1.129958931,1.805213161,1.716374165,1.281797368,1.058262671,0.963936796,0.872679337,0.245165979,0.105913874,3.90169113,3.319216945,3.180646233,2.838982085,2.751430836,2.620066527,2.062446305,1.751688076,1.645997855,1.523742965,0.944837697,0.631337262,0.542615301,0.451651685,0.313226822,0.520058135,3.739604401,3.181169051,3.03163375,2.663154321,2.518508912,2.310940629,1.65930478,1.241229108,1.811486047,1.718720377,1.119688342,0.853098455,0.805375486,0.751174499,0.136295407,0.025916255,0,0,0,0,0,4,2,2,1,0,0,0.083333333,0.333333333,0.5,0,0,0.083333333,0.333333333,0.5,1.543276095,0.204124145,0.49279928,0.144337567,1.543276095,0.204124145,0.49279928,0.144337567,2.610990332,3.212925398,3.219295479,2.610990332,3.212925398,3.219295479,7.068914101,4.021673935,4.434626887,2.964543723,2.10521467,1.020220057,0.166666667,0,0.7854349,0.446852659,0.316759063,0.197636248,0.131575917,0.092747278,0.083333333,0,7.068914101,4.021673935,4.434626887,2.964543723,2.10521467,1.020220057,0.166666667,0,0.7854349,0.446852659,0.316759063,0.197636248,0.131575917,0.092747278,0.083333333,0,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.0786,41.343,31.43452312,42.94651388,62.86904623,6.985449581,31.43452312,0.077898451,0.008655383,-2.297114287,50.50390591,5.611545101,3.52984561,58,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,2,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.524884259,0,2.862268519,0,0,0,1.905092593,0,0,0,0,0,0.624421296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.366319444,0,1.424768519,0,0,0,0.9375,0,0,0,0,0,0.624421296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.390046296,0,1.4375,0,0,0,0.967592593,0,0,0,0,0,0.624421296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.91666667,1.657407407,0.2,2.390046296,0,0.624421296,6.457010995,0.625578704,0.390046296,3.049768519,0.625578704,0.390046296,3.049768519,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.44444,0.22222,0.11111,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,11.11891,1.23543,11.11891,0,0,4.02166,0.44685,4.02166,0,0,0.39234,0.04359,0.47834,0.05315,0.185185185,9,0,0,0,0,0,0,1,0.918295834,1.530493057,2.643052317,3.281760187,3.250102669,3.095850927,24.79398752,41.32331253,71.36241255,88.60752505,87.75277208,83.58797504,0.193126721,0.321877869,0.555860116,0.690186715,0.683528825,0.651088154,3.836591668,3.224394445,2.111835186,1.473127315,1.504784833,1.659036575,0.193126721,0.321877869,0.555860116,0.690186715,0.683528825,0.651088154,6.73287657,14.07924324,18.45744905,18.79382684,15.97123109,18.60646284,35.54887502,24.5467028,20.38696946,19.93093983,24.21429764,20.28025742,7.111111111,2,1.28,0,0,0,2.45,1.2681,1.853144012,3.435783338,3.883934174,2.555772417,0.5,3.363585661,1.414213562,0.5,1.414213562,0,0,0,0,0,0,0,0,0,0,0.003,0.158,0.151,0.12,0.197,3.753,14,15,16,11,2,0,0,0,0,76,2.302585093,2.708050201,2.772588722,2.833213344,2.48490665,1.098612289,0,0,0,0,4.343805422,1,0.25,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.444444444,0,3,4,0.333333333,4,1.777777778,1.263888889,0,0,0,0,0,0,0,0.444444444,0.126984127,0.126388889,0,0,0,0,0,0,0,0.69781746,18.1199394,24.91691897,36.2398788,4.0266532,18.11993945,0.050633264,0.005625918,-2.684831867,38.73823212,4.304248013,3.29114432,0,151.8638616,4.169925001,3.850147602,4.65396035,5.556828062,6.388561406,7.284134806,8.127109185,9.016148643,9.86562991,10.74972056,83.49224052,2.944438979,0,4.317488114,2.397895273,5.855071922,4.844187086,7.461065514,6.968850378,9.101529466,9.421735176,126.1408506,4.671883355,17.10567265,1.900630294,0,0,0,79,10,4.975,46,1.322351022,2.334568432,3.319959835,3.998001311,4.830412987,5.923558761,0,0,0,0,92.70728943,121.7693809,104.4334686,48.20850366,21.85690383,6.018714809,0,0,0,0,330.9230363,458.9781164,505.1777029,349.660319,277.982566,184.1263866,0,0,0,0,9.657429115,16.7435167,23.67308647,27.77164454,33.06294962,39.79721629,0,0,0,0,2.444790845,3.534719621,4.274883519,3.455750656,3.169900328,2.633690668,0,0,0,0,187.2021646,352.8626246,508.8006032,667.8697122,844.6405184,1095.370578,0,0,0,0,2.604010113,3.938436683,5.778749386,5.766997054,6.358576219,5.923558761,0,0,0,0,0.50452745,0.736110419,0.904093648,0.751141292,0.704909551,0.606572417,0,0,0,0,347.9576972,156.3918672,8.558124993,39.34226298,-17.6826379,-2.299740758,308.6154342,174.0745051,10.85786575,0.89841914,0.40380037,0.022096891,0.10158086,-0.045656183,-0.00593788,134.7640023,60.57056393,3.314561469,15.23725688,-6.848484956,-0.890689504,0.067498098,0.138809875,0.616690022,1.357634231,387.2999602,0,1,0,464.5052698,21.55238432,7.744562373,638.8719193,25.2759158,8.612672499,827.6360295,28.76866402,9.388865757,1.105621167,1.05728568,601.3231595,509.2087514,253.3001954,1.180897143,2.373954582,2.010297507,4.60926743,4.528863511,7.72856719,0.706513604,5.020209962,5.389901783,3.988111833,10.15087829,12.2681444,17.11086882,13.31780958,14.83307727,9.93162161,8.831867371,5.238207193,2.138831889,3.334641687,0.005387436,6.31E-04,1.43E-26,6.23E-71,5.24E-137,8.51E-225,0,0,0,0,0,0,0,0,0,0,0,0.421311435,5.389573824,0.783158403,4.072489316,1.516377006,4.600208289,0.868066329,0.721494668,0.778989189,0.295558337,0.92113122,0.016887674,0.057043502,3.79E-05,4.45E-06,1.01E-28,4.39E-73,3.69E-139,5.99E-227,0,0,0,0,0,0,0,0,0,0,0,1.360044669,5.389596447,1.170725412,4.924231936,2.924875693,6.337333104,2.31645237,2.548536097,1.856323652,1.24774264,1.36469168,0.161663612,0.33095915,3.95E-04,4.63E-05,1.05E-27,4.57E-72,3.85E-138,6.24E-226,0,0,0,0,0,0,0,0,0,0,0,4.738668689,5.389866027,3.697581201,9.641153252,11.33180933,16.05610053,12.16902331,13.59650644,9.091505213,8.029713419,4.819093961,1.906916436,2.994211931,0.004800109,5.63E-04,1.27E-26,5.55E-71,4.67E-137,7.58E-225,0,0,0,0,0,0,0,0,0,0,0,2.004455605,5.389625137,1.515946667,5.624424585,4.125194922,7.772270689,3.635220293,4.115528952,2.830718411,2.136031378,1.799128419,0.346667248,0.636310592,8.59E-04,1.01E-04,2.28E-27,9.93E-72,8.36E-138,1.36E-225,0,0,0,0,0,0,0,0,0,0,0,6.062630571,5.390051975,5.170915722,12.19440695,16.05075564,21.34419643,18.01022817,19.83468108,13.35988501,12.11930999,6.965786933,3.11333688,4.753806746,0.00785707,9.21E-04,2.08E-26,9.09E-71,7.65E-137,1.24E-224,0,0,0,0,0,0,0,0,0,0,0,3.316619471,4.729737399,1.806199746,6.446309363,6.414387872,10.90512435,6.53064183,7.367789042,5.155644389,4.145924115,3.224010759,0.787242041,1.372818584,0.001961208,2.30E-04,5.20E-27,2.27E-71,1.91E-137,3.10E-225,0,0,0,0,0,0,0,0,0,0,0,4.291146476,2.004800163,1.216479851,0.571206451,0.26686453,0.472527795,0.419468714,0.458667319,7.512426489,16.26178338,34.23945362,0.356809677,1.350663828,3.397790145,1.369935174,0.641429175,0.6281555,0.253262349,0.297132767,0.192776323,0.129896263,5.409154494,7.712910351,16.10775873,0.44223325,0.619805353,3.752110994,1.622248241,0.870146626,0.600865958,0.259788088,0.361788383,0.272150449,0.237300383,6.244505861,10.76333601,22.30429861,0.401298936,0.871239216,4.268982955,1.989098514,1.202273931,0.572222465,0.266622487,0.467678966,0.41277793,0.448219937,7.460355401,16.01535586,33.68473337,0.358333697,1.328676833,3.910264681,1.734641672,0.971949995,0.590955051,0.262154954,0.392727655,0.312045593,0.295105684,6.616856347,12.26947476,25.47897857,0.386432577,0.999878932,4.360548099,2.053953137,1.260945929,0.568116489,0.267600453,0.487875511,0.440771749,0.492116158,7.675447165,17.04470067,36.01363534,0.352174734,1.420763418,4.285304123,1.994439004,1.206117932,0.572453067,0.266427467,0.471211955,0.415150256,0.451037398,7.485861058,16.12088847,33.91517135,0.358679601,1.33739961 +UMLS0280,L,"1,1,2,4-tetramethylcyclopentane",CC1CC(C(C1)(C)C)C,522010,,UML,[1],C9H18,PubChem,,8.2,0,-0.0056,3.14E-05,27.9392,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,803.11258,619.564683,443.973938,275.495641,84.835296,9.144576,0,2914.106344,3494.423905,4007.996657,3405.28699,2534.710644,1881.72051,1061.424631,279.7536999,0,125.864664,123.114164,212.027152,236.482284,167.677256,145.901476,123.32736,60.466176,0,22.06875486,27.30703172,34.75630082,31.51473972,23.38646077,18.37047215,12.01662072,4.001516144,0,2979.777961,2471.442353,4742.724499,5667.698821,3940.235805,3507.196353,3137.747111,1664.258868,0,32.5,38,54,54.25,38,31,24,9,0,48.76541633,50.97680359,26.77041933,18.22249068,18.49891408,13.11884005,4.713072,1.016064,0,161.8947969,205.5543474,133.5998886,100.1554997,105.6129435,89.60573856,58.96803508,31.08374443,0,6.992481333,7.242009647,7.067571733,6.955361294,6.986552333,6.947689333,6.85152,6.718464,0,1.226041937,1.606295984,1.158543361,0.926904109,0.974435865,0.874784388,0.66759004,0.444612905,0,165.54322,145.3789619,158.0908166,166.6970241,164.1764919,167.0093502,174.3192839,184.917652,0,1.805555556,2.235294118,1.8,1.595588235,1.583333333,1.476190476,1.333333333,1,0,0.039464444,-0.004186059,-0.0152022,-0.003379639,-0.004406006,0.002692398,-1.24E-04,0.0048733,0,484.264036,-53.80711511,-161.4213453,13.45177878,-80.71067267,-80.71067267,-2.74E-13,121.066009,0,900.5096538,-100.0566282,-300.1698846,25.01415705,-150.0849423,-150.0849423,-1.49E-13,225.1274134,0,0.094864,-0.010540444,-0.031621333,0.002635111,-0.015810667,-0.015810667,-6.81E-16,0.023716,0,4.025697139,-0.447299682,-1.341899046,0.111824921,-0.670949523,-0.670949523,-1.78E-15,1.006424285,0,21.86765075,-2.429738973,-7.289216918,0.607434743,-3.644608459,-3.644608459,-3.55E-14,5.466912688,0,3.111111111,-0.688271605,-0.518518519,-0.12654321,-0.759259259,0.12037037,-0.277777778,0.694444444,0,0.002192469,-2.46E-04,-5.07E-04,-9.94E-05,-1.84E-04,1.28E-04,-6.89E-06,5.41E-04,0,26.90355756,-3.165124418,-5.380711511,0.395640552,-3.362944694,-3.843365365,-1.52E-14,13.45177878,0,50.0283141,-5.885684011,-10.00566282,0.735710501,-6.253539262,-7.146902014,-8.29E-15,25.01415705,0,0.005270222,-6.20E-04,-0.001054044,7.75E-05,-6.59E-04,-7.53E-04,-3.78E-17,0.002635111,0,0.223649841,-0.026311746,-0.044729968,0.003288968,-0.02795623,-0.031949977,-9.87E-17,0.111824921,0,1.214869486,-0.142925822,-0.242973897,0.017865728,-0.151858686,-0.173552784,-1.97E-15,0.607434743,0,0.172839506,-0.040486565,-0.017283951,-0.003721859,-0.031635802,0.005731922,-0.015432099,0.077160494,0,-0.11231117,-0.231127546,-0.045337531,-0.083733706,0.05847719,-0.003142482,0.246971662,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-5.65E-16,0.5,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-1.66E-16,0.5,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-7.18E-15,0.5,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-4.41E-16,0.5,0,-0.117647059,-0.2,0.014705882,-0.125,-0.142857143,-1.62E-15,0.5,0,-0.234243697,-0.1,-0.021533613,-0.183035714,0.033163265,-0.089285714,0.446428571,0,1.398348862,1.285837066,1.15119283,1.184761504,0.647024435,0.527256219,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.5,1.275,0.875,1.0625,1.011904762,0.708333333,0,0,1.607142857,1.138392857,1.004464286,1.081473214,0.715561224,0.910714286,0,0,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,21.32042284,10.66021142,16.93630907,21.32042284,3.553403806,10.66027492,8.88E-15,5.55E-16,9.25E-17,-21.07641759,26.96579318,4.494298863,1.976741486,23.18733663,11.53811276,18.27367927,23.11326256,3.852210426,11.53813808,-0.111111111,1.11E-16,1.85E-17,-22.04208034,32.04937936,5.341563227,2.080366691,0,11.89,12.11007471,-0.160379043,0.061014257,5.123186858,6.731390504,5,17,16,16,4,1,1,0,0,1,13.118484,3.489144524,3.014912052,2.504383072,1.782561578,1.406975249,0.752169233,0.083923071,0.083923071,1.860497646,1.621651493,1.229175443,0.852171619,0.622414124,0.260696959,0.083923071,0.083923071,3.512714551,3.057830648,2.557249633,1.867645456,1.509042223,0.888243438,0.270913902,0.270913902,1.803408681,1.537703988,1.132347359,0.720700548,0.47943536,0.093646601,0.270913902,0.270913902,3.618949941,3.243979352,2.78443186,2.220702445,1.921270315,1.418282275,0.943918427,0.943918427,1.640660717,1.280475253,0.828427333,0.286568306,0.003665697,0.488360286,0.943918427,0.943918427,3.530218238,3.08934128,2.595977363,1.929323787,1.582344855,0.984772273,0.399277246,0.399277246,1.767495391,1.483314233,1.069004016,0.633028072,0.383319759,0.019847148,0.399277246,0.399277246,3.672201441,3.332552334,2.890842505,2.378633231,2.100399324,1.63963836,1.207644823,1.207644823,1.591633238,1.197304943,0.727877696,0.134833631,0.177407915,0.705843336,1.207644823,1.207644823,3.555702998,3.108286018,2.699018115,1.985426676,1.636728454,1.112316198,0.545454545,0.545454545,1.739053094,1.446146758,0.951716906,0.552227846,0.293108818,0.157502236,0.545454545,0.545454545,0,0,0,2,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.568914101,2.564043477,1.287901102,0.638071187,0.333333333,0.166666667,0,0,0.761485683,0.512808695,0.321975275,0.212690396,0.166666667,0.166666667,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,4,2,0,2,0,0,0,0,0,0,0,0,2,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.632638889,0,0,1.067361111,0.580555556,0,0.632638889,0,0,0,0,0,0,0,0,4.29,0,2.348888889,0,4.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.243402778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.145,0,1.174444444,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.290277778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.145,0,1.174444444,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.316319444,2.180555556,0.243402778,1.174444444,4.206555556,0.325555556,0.180555556,1.302222222,0.325555556,0.180555556,1.302222222,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.33333,0,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.27843,0.71307,5.31294,1.03452,0.17242,2.37132,0.39522,2.91421,0.54289,0.09048,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.879964949,2.419381946,2.419381946,2.419381946,2.067168057,16.52932501,33.83936908,43.54887502,43.54887502,43.54887502,37.20902502,0.220218789,0.450839031,0.580197952,0.580197952,0.580197952,0.49573267,3.251629167,2.289960053,1.750543056,1.750543056,1.750543056,2.102756945,0.220218789,0.450839031,0.580197952,0.580197952,0.580197952,0.49573267,6.73287657,13.50946582,14.05310377,14.05310377,14.05310377,9.826537102,23.69925001,18.09522171,18.48287501,18.48287501,18.48287501,14.25630834,6,5,5.333333333,6,2,6,2.12,0.911,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,2.708,4,3,2,1,0,0,0,0,0,21,1.945910149,1.945910149,1.945910149,1.609437912,1.098612289,0,0,0,0,0,3.433987204,1.428571429,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,109.6959078,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,84.09390038,4.671883355,10.83915043,1.806525072,0,0,0,35,3,3.238,18,1.206606141,2.09784649,2.88748451,3.72540674,5.026525694,5.882572211,7.071014768,0,0,0,71.99220307,64.08960883,64.02764621,86.60096932,75.59363559,30.59592911,7.184603549,0,0,0,272.5169522,303.7920316,319.4016052,455.1554259,483.2647669,368.5375055,219.7936159,0,0,0,8.771798341,14.88350424,20.14233205,26.21272966,35.01855468,40.40788691,47.50635816,0,0,0,2.071063202,2.57665677,2.853500302,4.040881604,4.613807735,4.100301391,3.143864416,0,0,0,173.32668,327.5120314,477.2459668,597.6562967,832.2717234,1017.215523,1307.555448,0,0,0,2.797377663,3.930517025,4.784929305,6.313793175,7.665357977,8.102282425,7.071014768,0,0,0,0.429617738,0.545622487,0.611132516,0.862806855,0.997489642,0.90780752,0.724071912,0,0,0,340.0158819,127.5932468,9.855789399,120.8571676,-45.35246507,-7.23344735,219.1587143,172.9457119,17.08923675,0.737764732,0.276851178,0.021385042,0.262235268,-0.098405548,-0.015695097,156.7041564,58.80428874,4.542267715,55.69981136,-20.90172888,-3.333700938,0.15159456,0.235036811,3.393825156,2.557490396,460.8730495,0,1,0,332.6598227,18.23896441,6.928939733,452.9289917,21.28212846,7.679684411,470.4497698,21.68985407,7.777459414,1.969726476,1.969726476,436.2861893,417.6411261,31.33269173,1.044643743,13.92431244,13.32924505,3.654542824,4.621652351,8.038734117,0.739363653,4.94109611,4.005250566,2.320986279,13.75260872,6.357324146,1.502122487,3.752192015,4.330730967,8.22307244,0.176270249,1.84982551,3.972730669,0.587337696,0.00229699,0.860679414,5.75E-10,7.41E-41,1.84E-93,8.83E-168,8.16E-264,0,0,0,0,0,0,0,0,0,0,0.414679705,4.000778464,0.191137415,4.10487374,0.052496495,0.122678848,0.595496012,0.065676893,2.105924122,0.001242258,0.114834862,0.221651168,0.045535858,1.62E-05,0.006061835,4.05E-12,5.22E-43,1.30E-95,6.22E-170,5.75E-266,0,0,0,0,0,0,0,0,0,0,1.338617793,4.001077408,0.619417908,4.836898857,0.486429242,0.395573753,1.239831012,0.408223044,2.802717917,0.012939222,0.393406998,0.786655318,0.149469792,1.69E-04,0.063168999,4.22E-11,5.44E-42,1.35E-94,6.48E-169,5.99E-265,0,0,0,0,0,0,0,0,0,0,4.663992141,4.004759607,2.188310624,12.72427146,5.669577961,1.414603611,3.558936411,3.882823534,7.65335996,0.15705415,1.716874183,3.672101466,0.551813111,0.002046614,0.766849863,5.12E-10,6.60E-41,1.64E-93,7.87E-168,7.27E-264,0,0,0,0,0,0,0,0,0,0,1.972872325,4.001464905,0.915339246,5.706786167,1.037588872,0.58548451,1.682150932,0.800156931,3.444899688,0.02810382,0.607078247,1.234096372,0.222794485,3.66E-04,0.137211508,9.17E-11,1.18E-41,2.94E-94,1.41E-168,1.30E-264,0,0,0,0,0,0,0,0,0,0,5.967087381,4.007314959,2.814822177,18.05706538,9.246374923,1.829651617,4.467736133,6.201232361,10.5541247,0.257071074,2.372441652,5.16643002,0.721544155,0.003349767,1.255220038,8.39E-10,1.08E-40,2.69E-93,1.29E-167,1.19E-263,0,0,0,0,0,0,0,0,0,0,2.70454378,3.596584944,1.307824162,7.254788371,1.921280994,0.875865623,2.256826109,1.424216478,3.991480188,0.052446993,0.744870911,1.926925926,0.334957333,6.84E-04,0.256069908,1.71E-10,2.20E-41,5.48E-94,2.63E-168,2.43E-264,0,0,0,0,0,0,0,0,0,0,6.313323884,0.789171353,0.349697732,0.847176651,0.105897869,0.614126599,0.59436928,0.444444429,7.452192969,7.466020823,16.66051082,0.770764977,1.652940309,4.890680672,0.297068242,0.075389316,0.9292328,0.056443177,0.369246764,0.08488532,0.020656248,5.26313823,1.843966753,7.216635551,0.893849199,0.474788333,5.455469703,0.4927543,0.184335715,0.889590963,0.08035051,0.459026256,0.232945265,0.123495409,6.132559718,3.78467628,10.4127684,0.834386444,0.81546693,6.278081533,0.77700998,0.342906628,0.848618966,0.105029761,0.607309497,0.576325929,0.42734989,7.397998141,7.29736965,16.36811159,0.772928449,1.610985316,5.707328586,0.579870465,0.232897609,0.875344168,0.088935869,0.502218701,0.322133805,0.197134165,6.52009666,4.77378491,12.06465884,0.813016252,1.021486671,6.423664128,0.827239512,0.370958864,0.842794543,0.108535087,0.635717057,0.652614501,0.500130501,7.621862504,8.003695755,17.59679982,0.764191815,1.788462058,6.281877719,0.776025781,0.342813918,0.848820103,0.104858183,0.607992681,0.574519068,0.42711884,7.400717419,7.294446618,16.36634729,0.773230154,1.609630588 +UMLS0281,L,trans-3-hexene,CC/C=C/CC,638066,Sandia values from averaged from the co-optima database (source their api report) and independent api report because I don't know which one is better use sandia values cause it is averaged ,Sandia,,C6H12,PubChem,,13.97,0,1.6136,2.60370496,38.8542,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1432.661672,1123.988381,827.498116,783.978724,302.76288,36.578304,0,3885.475125,4800.404174,6285.345707,6255.412399,4754.006523,3933.942147,3126.683726,1119.0148,0,167.819552,166.665724,297.5336,366.243764,373.270288,231.384208,251.444736,241.864704,0,29.42500648,37.33900896,52.14452968,56.24711149,45.42701054,34.75227672,32.0604183,16.00606457,0,3973.037281,3337.521256,6602.062723,8307.658088,9180.748148,5361.067664,5893.952969,6657.035473,0,43.55555556,50.66666667,76,95.44444444,77.33333333,53,60,36,0,48.76541633,52.3287937,34.11099219,21.61516117,15.32403919,23.75693103,8.41008,1.016064,0,161.8947969,208.713225,149.6510883,120.2963923,88.03715784,119.2103681,86.85232572,31.08374443,0,6.992481333,7.246335826,7.084133333,7.043149308,6.912412741,7.011642667,6.984576,6.718464,0,1.226041937,1.623435172,1.241536421,1.081675221,0.841240936,1.053099295,0.890567175,0.444612905,0,165.54322,145.1096198,157.1919696,159.7626555,170.0138546,162.4565959,163.7209158,184.917652,0,1.814814815,2.202898551,1.80952381,1.835470085,1.432098765,1.606060606,1.666666667,1,0,0.045598067,-0.009504838,0.003870636,-0.025664014,-0.002769285,0.015241793,-0.023900385,0.01992706,0,645.6853813,-53.80711511,3.23E-13,-390.1015846,161.4213453,-40.35533633,-484.264036,484.264036,0,1200.679538,-100.0566282,8.53E-14,-725.4105544,300.1698846,-75.04247115,-900.5096538,900.5096538,0,0.126485333,-0.010540444,1.84E-15,-0.076418222,0.031621333,-0.007905333,-0.094864,0.094864,0,5.367596186,-0.447299682,7.52E-15,-3.242922696,1.341899046,-0.335474762,-4.025697139,4.025697139,0,29.15686767,-2.429738973,-7.22E-14,-17.61560755,7.289216918,-1.822304229,-21.86765075,21.86765075,0,4.37037037,-2.077160494,2.314814815,-2.802469136,-0.611111111,2.101851852,-3.888888889,2.777777778,0,0.001899919,-4.13E-04,9.22E-05,-4.94E-04,-5.13E-05,4.62E-04,-6.64E-04,5.54E-04,0,26.90355756,-2.339439787,7.70E-15,-7.501953549,2.989284173,-1.22288898,-13.45177878,13.45177878,0,50.0283141,-4.350288182,2.03E-15,-13.95020297,5.558701566,-2.274014277,-25.01415705,25.01415705,0,0.005270222,-4.58E-04,4.39E-17,-0.001469581,5.86E-04,-2.40E-04,-0.002635111,0.002635111,0,0.223649841,-0.019447812,1.79E-16,-0.062363898,0.024849982,-0.010165902,-0.111824921,0.111824921,0,1.214869486,-0.105640825,-1.72E-15,-0.338761684,0.134985498,-0.05522134,-0.607434743,0.607434743,0,0.182098765,-0.090311326,0.055114638,-0.053893637,-0.011316872,0.06369248,-0.108024691,0.077160494,0,-0.217511244,0.048506272,-0.259768241,-0.026992228,0.243101095,-0.349435641,0.291343639,0,-0.086956522,2.86E-16,-0.278846154,0.111111111,-0.045454545,-0.5,0.5,0,-0.086956522,4.06E-17,-0.278846154,0.111111111,-0.045454545,-0.5,0.5,0,-0.086956522,8.33E-15,-0.278846154,0.111111111,-0.045454545,-0.5,0.5,0,-0.086956522,8.01E-16,-0.278846154,0.111111111,-0.045454545,-0.5,0.5,0,-0.086956522,-1.41E-15,-0.278846154,0.111111111,-0.045454545,-0.5,0.5,0,-0.495946942,0.302663438,-0.295958279,-0.062146893,0.349768875,-0.593220339,0.423728814,0,1.541106649,0.958676685,1.580772378,1.036802061,0.616799497,1.159674109,0,0,1.5,1.129464286,1.326923077,0.71875,1.045454545,1.4375,0,0,1.5,1.129464286,1.326923077,0.71875,1.045454545,1.4375,0,0,1.5,1.129464286,1.326923077,0.71875,1.045454545,1.4375,0,0,1.5,1.129464286,1.326923077,0.71875,1.045454545,1.4375,0,0,1.5,1.129464286,1.326923077,0.71875,1.045454545,1.4375,0,0,1.93220339,0.654358354,1.529335072,0.877118644,0.425269646,1.754237288,0,0,34.34835627,17.17417813,26.20177579,34.34835627,4.293544533,17.17417824,-1.07E-14,0,0,0,37.37429562,4.671786953,2.896786548,34.34835627,17.17417813,26.20177579,34.34835627,4.293544533,17.17417824,-1.07E-14,0,0,0,37.37429562,4.671786953,2.896786548,34.34835627,17.17417813,26.20177579,34.34835627,4.293544533,17.17417824,-1.07E-14,0,0,0,37.37429562,4.671786953,2.896786548,34.34835627,17.17417813,26.20177579,34.34835627,4.293544533,17.17417824,-1.07E-14,0,0,0,37.37429562,4.671786953,2.896786548,34.34835627,17.17417813,26.20177579,34.34835627,4.293544533,17.17417824,-1.07E-14,0,0,0,37.37429562,4.671786953,2.896786548,34.34835627,17.17417813,26.20177579,34.34835627,4.293544533,17.17417824,-1.07E-14,0,0,0,37.37429562,4.671786953,2.896786548,41.93130259,20.8406513,31.56242572,41.74380259,5.217975324,20.8406513,-0.25,4.44E-16,5.55E-17,-28.28040497,45.93039862,5.741299828,3.061701742,0,11.89,12.11011416,-0.154946789,0.067275912,5.833687088,7.817070254,7,23,22,22,6,1,1,0,0,1,17.491312,3.581275478,3.214220279,2.57654467,2.333552793,2.333552793,1.454465531,1.02422922,0.674143209,1.914761909,1.721220895,1.249629723,1.249629723,1.219740449,0.56757451,0.370771011,0.227271189,3.602108533,3.248352482,2.621751748,2.405454588,2.405454588,1.541957817,1.138443481,0.81672093,1.862609836,1.647887556,1.134540686,1.134540686,1.131348929,0.430071549,0.214544321,0.05738939,3.696443493,3.399320309,2.819404068,2.704236987,2.704236987,1.907991536,1.598606993,1.366329772,1.715829994,1.429508109,0.858281705,0.76031856,0.76031856,0.023384284,0.3180118,0.537638115,3.617599043,3.273566294,2.655061203,2.457539916,2.457539916,1.605601454,1.22046107,0.917456426,1.829984397,1.600903315,1.073853148,1.058262671,1.058262671,0.338399532,0.109168453,0.058226829,3.744069716,3.472928014,2.913743212,2.838982085,2.838982085,2.072641442,1.797313974,1.593728153,1.672107689,1.361000466,0.769704149,0.631337262,0.631337262,0.181353099,0.511235136,0.761668497,3.616610227,3.267157465,2.755310147,2.571572866,2.571572866,1.648320681,1.258176739,1.032043252,1.827276765,1.588229904,0.959098051,0.935209229,0.935209229,0.272124371,0.029905598,0.18992527,0,0,0,2,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.666666667,0,0,0,0.577350269,0.333333333,0.666666667,0.384900179,0.222222222,0.444444444,6.568914101,3.625897658,3.365043969,1.321367205,0.666666667,0.666666667,0,0,0.821114263,0.51798538,0.420630496,0.264273441,0.166666667,0.166666667,0,0,6.309401077,3.309401077,2.872934051,0.88091147,0.444444444,0.444444444,0,0,0.788675135,0.472771582,0.359116756,0.176182294,0.111111111,0.111111111,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.78079,38.546,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,56,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,6,2,0,2,0,0,0,0,0,0,0,0,4,0,0,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.481481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.545833333,0,0,1.554166667,0.580555556,0,0.545833333,0,0,0,0,0,0,0,0,8.773333333,0,0,0,4.481481481,0,1.411851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.240740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,0.243402778,0.290277778,0,0.272916667,0,0,0,0,0,0,0,0,2.193333333,0,0,0,2.240740741,0,0.705925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.240740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,0.290277778,0.290277778,0,0.272916667,0,0,0,0,0,0,0,0,2.193333333,0,0,0,2.240740741,0,0.705925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66666667,1.833333333,0.290277778,2.240740741,0.243402778,0.705925926,5.644931852,0.627407407,0.240740741,2.50962963,0.627407407,0.240740741,2.50962963,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.5,0.25,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.58053,0.94757,8.87961,1.29907,0.16238,3.13674,0.39209,3.62588,0.48915,0.06114,0.28812,0.03601,0.28812,0.03601,0,7,0,0,0,0,0,0,0.75,0.918295834,1.78067213,2.125814584,2.125814584,2.125814584,1.827067709,22.03910002,42.73613111,51.01955001,51.01955001,51.01955001,43.84962501,0.200284263,0.388372234,0.463649285,0.463649285,0.463649285,0.398491309,3.666666667,2.804290371,2.459147917,2.459147917,2.459147917,2.757894792,0.200284263,0.388372234,0.463649285,0.463649285,0.463649285,0.398491309,6.73287657,13.09808847,13.44593168,13.44593168,13.44593168,9.860969176,31.59900002,24.45773065,24.7047625,24.7047625,24.7047625,21.1198,8,3.9375,7.2,8,2,6,2.34,1.1928,1.62865057,3.265986324,4,0,1,2.828427125,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.143,0.128,0.149,0.146,3.25,8,5,4,4,0,0,0,0,0,36,2.197224577,2.397895273,2.397895273,2.197224577,2.197224577,0,0,0,0,0,3.970291914,1.444444444,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,3,5,0.666666667,2.5,0.666666667,0.25,0.32,0,0,0,0,0,0,0.357142857,0.083333333,0.05,0.08,0,0,0,0,0,0,0.57047619,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,0,144.287877,4,3.433987204,4.043051268,4.779123493,5.424950017,6.150602768,6.814542897,7.529943371,8.204398418,8.912338567,70.292938,2.708050201,0,3.850147602,0,5.105945474,0,6.408528791,0,7.738488122,8.049746291,112.1252005,4.671883355,14.50192071,1.812740089,0,0,0,74,5,4.246,30,1.216818977,2.116182651,2.950074581,3.610238181,4.700005789,5.666650161,6.213569239,0,0,0,74.8973344,82.9572194,71.71476131,68.06663479,128.6004492,49.36710306,6.313384015,0,0,0,280.1875776,347.5594753,376.8933904,356.5450573,615.3873568,505.0601584,193.1409982,0,0,0,8.853389901,15.06170259,20.82490968,25.05251697,33.10667908,39.64069631,41.74564124,0,0,0,2.117696535,2.816048832,3.323251314,3.280392068,5.306293971,5.149674971,2.762633069,0,0,0,174.336371,327.5793316,467.9662034,606.6730573,752.2233511,922.8466757,1148.998634,0,0,0,2.751457552,4.034262809,5.549235034,5.365014477,7.936071069,9.598606654,6.213569239,0,0,0,0.438856414,0.591884016,0.708382955,0.706523964,1.128000691,1.12130219,0.63626949,0,0,0,349.8601934,162.3951509,9.307265828,68.11777906,-31.6183356,-3.743183764,281.7424143,194.0134864,13.05044959,0.837030218,0.38852562,0.02226736,0.162969782,-0.075645938,-0.008955457,146.2338543,67.87759589,3.8902321,28.47173118,-13.2157678,-1.56456836,0.123153069,0.18336069,1.174215596,0.720805803,417.9779724,0,1,0,453.1415631,21.287122,7.680885649,613.3487177,24.76587809,8.496417026,742.1140546,27.2417704,9.053646891,1.439046934,1.420198618,655.5648773,562.1784524,125.6026404,1.166115269,5.219355859,4.475848999,4.485901389,4.64334204,8.066663851,0.737253853,6.523979034,5.774260353,2.178430171,21.98217852,8.111593602,9.142621632,4.969352114,9.118576552,7.877267232,9.221110986,4.984474917,9.017314062,0.389465179,0.935600129,0.641204457,7.00E-09,1.47E-38,5.97E-90,4.68E-163,7.06E-258,0,0,0,0,0,0,0,0,0,0,0.547518569,5.766253469,0.178001184,8.132418498,1.285549088,0.627714696,0.858753951,2.108498744,2.259809519,1.248691707,0.164308596,0.362511633,0.028899414,0.006589727,0.004516055,4.93E-11,1.04E-40,4.21E-92,3.29E-165,4.97E-260,0,0,0,0,0,0,0,0,0,0,1.767441564,5.766788656,0.577785134,9.19322766,1.945133254,2.116556539,1.660396813,2.7350411,3.044734374,2.539227448,0.694944837,1.426545952,0.095785335,0.068668318,0.047060779,5.13E-10,1.08E-39,4.38E-91,3.43E-164,5.18E-259,0,0,0,0,0,0,0,0,0,0,6.158104407,5.773381321,2.05294196,20.50947526,7.434129112,8.533175037,4.704467041,8.404867283,7.405406642,8.613894739,4.529038543,8.238918291,0.36501668,0.833603021,0.571301627,6.23E-09,1.31E-38,5.32E-90,4.17E-163,6.29E-258,0,0,0,0,0,0,0,0,0,0,2.604880455,5.767482417,0.854761843,10.4458678,2.615784762,3.212601987,2.221809643,3.4039751,3.690962248,3.525144153,1.193792991,2.365587265,0.143693723,0.149156225,0.102222301,1.12E-09,2.35E-39,9.52E-91,7.46E-164,1.13E-258,0,0,0,0,0,0,0,0,0,0,7.878648096,5.777956532,2.646489354,28.14438438,10.91467207,11.49923858,5.965132156,12.08421421,9.769647961,11.60464583,6.852815344,12.18157874,0.482683511,1.364484145,0.935136439,1.02E-08,2.15E-38,8.71E-90,6.82E-163,1.03E-257,0,0,0,0,0,0,0,0,0,0,3.730276082,4.613100804,1.171423733,13.16985522,3.886901805,4.896972791,2.842945277,3.900065284,3.95743027,4.845551455,1.649040237,3.833658286,0.217097457,0.278361216,0.190771574,2.08E-09,4.38E-39,1.78E-90,1.39E-163,2.10E-258,0,0,0,0,0,0,0,0,0,0,6.090223651,1.676626487,0.502280921,0.736501043,0.202757276,0.666051433,0.564315069,0.333291817,8.269131059,14.11217093,27.51010769,0.604751565,1.563658318,4.869970714,0.976415952,0.143598702,0.8130188,0.16300807,0.425985548,0.191145919,0.027052643,5.989985368,5.594650627,12.26746464,0.7195282,0.64418411,5.354422443,1.254234343,0.286531272,0.776544802,0.181899947,0.514870364,0.315501393,0.108149488,6.895188058,8.60928735,17.42873362,0.664817203,0.938521245,6.059995887,1.659267625,0.493442322,0.737880549,0.202036656,0.659456187,0.552668064,0.321643786,8.212705834,13.86416629,27.03851115,0.606820823,1.533768036,5.570450256,1.378206453,0.350017446,0.763213994,0.1888297,0.55723242,0.381049973,0.161571633,7.298674155,10.10938156,20.09522033,0.644820992,1.099854026,6.184863579,1.7309778,0.529941998,0.732301943,0.204951716,0.68691356,0.601570672,0.371081224,8.445783376,14.90079835,29.02006738,0.598452915,1.659565456,6.062940559,1.662111079,0.492907725,0.737767162,0.202253504,0.660097984,0.554543495,0.321100624,8.217959363,13.8850183,27.07014716,0.606650743,1.535742103 +UMLS0282,L,"2,5-dimethyl-3-hexene",CC(C)/C=C/C(C)C,638067,(cis) reported; RON from [9],UML,"[1], [9]",C8H16,PubChem,,14.4,0,1.8146,3.29277316,32.1022,17.22793,0,0,16,6,10,0,6,0,0,0,0,0,0,0,0,0,875.745366,842.391485,752.6521,587.221995,417.727634,248.233273,78.738912,9.144576,0,2851.938855,3264.950672,3486.882703,2927.143802,2243.069923,1558.996044,874.9221648,279.7536999,0,112.427736,108.8789,170.119696,168.499308,140.005064,111.51082,83.016576,60.466176,0,21.17952905,25.0799431,29.41289777,25.73074786,20.27014634,14.80954481,9.348943289,4.001516144,0,2609.942657,2165.197258,3760.399004,3882.112509,3264.155406,2646.198302,2028.241198,1664.258868,0,34,40,50,45,36,27,18,9,0,54.73408538,56.15943233,31.36050417,24.46758313,20.8863817,15.51457956,6.561576,1.016064,0,178.2461784,217.6633782,145.2867793,121.9643251,112.1534961,97.43725273,72.9101804,31.08374443,0,7.0267335,7.258593333,7.088320667,7.0208045,7.0002532,6.96942625,6.918048,6.718464,0,1.323720566,1.671996207,1.225537407,1.072114494,1.013507317,0.925596551,0.779078607,0.444612905,0,163.121416,144.3464838,156.6832919,161.7546879,163.2077703,165.3873939,169.0200999,184.917652,0,2.125,2.666666667,2.083333333,1.875,1.8,1.6875,1.5,1,0,0.04674774,-0.001606549,-0.023749121,-9.61E-04,-0.001320783,-0.004080672,0.001696035,0.006648559,0,453.9975338,-47.29140977,-105.9327579,-45.39975338,-52.96637894,-60.5330045,-68.09963006,153.2241676,0,844.2278004,-87.94039587,-196.9864868,-84.42278004,-98.49324338,-112.5637067,-126.6341701,284.9268826,0,0.088935,-0.009264062,-0.0207515,-0.0088935,-0.01037575,-0.011858,-0.01334025,0.030015562,0,3.774091068,-0.393134486,-0.880621249,-0.377409107,-0.440310625,-0.503212142,-0.56611366,1.273755736,0,20.50092258,-2.135512769,-4.783548602,-2.050092258,-2.391774301,-2.733456344,-3.075138387,6.919061371,0,3.75,-0.390625,-0.875,-0.375,-0.4375,-0.5,-0.5625,1.265625,0,0.002921734,-1.07E-04,-9.90E-04,-4.01E-05,-6.60E-05,-2.55E-04,1.41E-04,7.39E-04,0,28.37484586,-3.152760651,-4.413864911,-1.891656391,-2.648318947,-3.783312781,-5.674969172,17.02490752,0,52.76423752,-5.862693058,-8.207770282,-3.517615835,-4.924662169,-7.03523167,-10.5528475,31.65854251,0,0.005558437,-6.18E-04,-8.65E-04,-3.71E-04,-5.19E-04,-7.41E-04,-0.001111688,0.003335062,0,0.235880692,-0.026208966,-0.036692552,-0.015725379,-0.022015531,-0.031450759,-0.047176138,0.141528415,0,1.281307661,-0.142367518,-0.199314525,-0.085420511,-0.119588715,-0.170841022,-0.256261532,0.768784597,0,0.234375,-0.026041667,-0.036458333,-0.015625,-0.021875,-0.03125,-0.046875,0.140625,0,-0.036657442,-0.338684774,-0.013709579,-0.022602726,-0.087291329,0.048374092,0.2528392,0,-0.111111111,-0.155555556,-0.066666667,-0.093333333,-0.133333333,-0.2,0.6,0,-0.111111111,-0.155555556,-0.066666667,-0.093333333,-0.133333333,-0.2,0.6,0,-0.111111111,-0.155555556,-0.066666667,-0.093333333,-0.133333333,-0.2,0.6,0,-0.111111111,-0.155555556,-0.066666667,-0.093333333,-0.133333333,-0.2,0.6,0,-0.111111111,-0.155555556,-0.066666667,-0.093333333,-0.133333333,-0.2,0.6,0,-0.111111111,-0.155555556,-0.066666667,-0.093333333,-0.133333333,-0.2,0.6,0,1.185766607,1.393910782,1.044791884,1.023238989,1.071155979,0.506780121,0,0,1.333333333,1.166666667,1,1,1,1,0,0,1.333333333,1.166666667,1,1,1,1,0,0,1.333333333,1.166666667,1,1,1,1,0,0,1.333333333,1.166666667,1,1,1,1,0,0,1.333333333,1.166666667,1,1,1,1,0,0,1.333333333,1.166666667,1,1,1,1,0,0,18.8488578,9.424428901,15.07018021,18.8488578,3.1414763,9.424659965,-5.33E-15,7.77E-16,1.30E-16,-20.87453425,16.67416445,2.779027408,1.688316289,18.8488578,9.424428901,15.07018021,18.8488578,3.1414763,9.424659965,-5.33E-15,7.77E-16,1.30E-16,-20.87453425,16.67416445,2.779027408,1.688316289,18.8488578,9.424428901,15.07018021,18.8488578,3.1414763,9.424659965,-5.33E-15,7.77E-16,1.30E-16,-20.87453425,16.67416445,2.779027408,1.688316289,18.8488578,9.424428901,15.07018021,18.8488578,3.1414763,9.424659965,-5.33E-15,7.77E-16,1.30E-16,-20.87453425,16.67416445,2.779027408,1.688316289,18.8488578,9.424428901,15.07018021,18.8488578,3.1414763,9.424659965,-5.33E-15,7.77E-16,1.30E-16,-20.87453425,16.67416445,2.779027408,1.688316289,18.8488578,9.424428901,15.07018021,18.8488578,3.1414763,9.424659965,-5.33E-15,7.77E-16,1.30E-16,-20.87453425,16.67416445,2.779027408,1.688316289,18.8488578,9.424428901,15.07018021,18.8488578,3.1414763,9.424659965,-5.33E-15,7.77E-16,1.30E-16,-20.87453425,16.67416445,2.779027408,1.688316289,0,11.89,12.11007471,-0.178678499,0.045109307,5.248219038,6.900135203,5,15,13,13,3,2,2,0,0,2,10.93207,3.521880838,3.045220587,2.358284477,1.866784719,0.953482259,0.66324231,0.083923071,0.083923071,1.833640916,1.575990499,1.163809179,0.783300194,0.32602831,0.222587669,0.083923071,0.083923071,3.540964925,3.07939009,2.419157866,1.937250711,1.068322127,0.80668311,0.270913902,0.270913902,1.783855335,1.497166991,1.06018134,0.666234988,0.16654553,0.052301233,0.270913902,0.270913902,3.627926087,3.233963919,2.677405435,2.233240712,1.536550831,1.359005635,0.943918427,0.943918427,1.645923552,1.265452069,0.726697407,0.289258124,0.378165973,0.544583119,0.943918427,0.943918427,3.555180788,3.104829895,2.463585389,1.988507969,1.151255397,0.907989608,0.399277246,0.399277246,1.752925088,1.446862033,0.991704398,0.58894612,0.058866249,0.063618316,0.399277246,0.399277246,3.672225991,3.311020113,2.79619407,2.368044362,1.739844151,1.58726202,1.207644823,1.207644823,1.605398607,1.194246822,0.613682596,0.160622047,0.575689177,0.769539125,1.207644823,1.207644823,3.567035818,3.126016962,2.5,2.030411667,1.218564723,0.988954413,0.5,0.5,1.730340271,1.409495677,0.93954135,0.530068508,0.024498579,0.153963644,0.5,0.5,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.309401077,2.154700538,1.051566846,0.496011291,0.222222222,0.111111111,0,0,0.718233513,0.430940108,0.262891712,0.165337097,0.111111111,0.111111111,0,0,8.709139019,15.43918427,14.62745098,14.8,9.992772455,121.8839701,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,1.99098,29.088,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,2,0,4,0,0,0,0,0,0,0,0,2,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.568194444,0,0,0,0.631805556,0,1.568194444,0,0,0,0,0,0,0,0,4,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.3775,0,0,0,0.315902778,0,0.3775,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0.315902778,0,0.406597222,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,2,0.406597222,2,0.315902778,2,3.968,0,0,0,0,0,0,3,0.5,0,0,0.45,0.7,0.42,0.42,0.7,0.03,0.03,0,0,0.71429,0,0,0.33333,0,0,5.5,0.91667,2.5,0.41667,3,0.5,0.5,0.08333,0,0,2.93006,0.48834,5.31294,2.38289,0.39715,1.49443,0.24907,2.91421,1.41979,0.23663,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,0.333333333,0.954434003,2.155639062,2.405639062,2.405639062,2.405639062,2.030639062,15.27094405,34.490225,38.490225,38.490225,38.490225,32.490225,0.238608501,0.538909766,0.601409766,0.601409766,0.601409766,0.507659766,3.045565997,1.844360938,1.594360938,1.594360938,1.594360938,1.969360938,0.233502796,0.527378265,0.588540901,0.588540901,0.588540901,0.496796947,6.794779896,14.53870385,14.7906601,14.7906601,14.7906601,10.2906601,23.34095565,18.68383437,18.18383437,18.18383437,18.18383437,13.68383437,6,5,5.333333333,6,4,6,2.12,0.868,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.327,0.312,2.648,4,3,2,1,0,0,0,0,0,21,2.079441542,2.197224577,2.197224577,2.197224577,1.609437912,0,0,0,0,0,3.737669618,1.952380952,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,3,0.6,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,107.0594491,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,82.07825032,5.129890645,10.83915043,1.806525072,0,0,0,35,3,3.004,18,1.202176708,2.106534355,2.970960723,3.793252237,5.087908838,6.104431777,7.181802748,0,0,0,77.24071726,75.0088107,86.58740662,98.14648777,91.06909555,43.62497854,7.297171227,0,0,0,284.3970026,331.7595601,397.317157,489.1156102,534.7587363,472.0037217,223.2373212,0,0,0,8.757237373,14.99067839,20.9187458,26.73699479,35.5657715,42.35924728,48.25068322,0,0,0,2.133346121,2.73901387,3.38423821,4.262622284,4.960695833,4.971166346,3.193122182,0,0,0,171.5921465,325.8147792,476.5174644,605.3349852,833.5967396,1021.536581,1328.042101,0,0,0,3.35301058,4.59324712,5.816869882,7.394993292,8.923087838,9.478555317,7.181802748,0,0,0,0.441493378,0.57735917,0.718190574,0.907402394,1.067372995,1.089373213,0.735416601,0,0,0,274.1364221,109.5973212,9.973655248,119.1274917,-47.6261194,-7.497918936,155.0089304,157.2234406,17.47157418,0.697080033,0.278686443,0.025361227,0.302919967,-0.121104728,-0.019065871,107.8079623,43.10067148,3.922278699,46.84854365,-18.72963412,-2.948660947,0.153654786,0.21790379,2.943671335,5.982477229,393.2639139,0,1,0,358.1299464,18.92432156,7.101447476,458.8066179,21.41977166,7.712761309,498.1392207,22.3190327,7.92714701,2.276387712,2.276387712,426.0824632,410.1417476,22.33174205,1.038866357,19.0796787,18.36586446,3.471876169,4.457003212,7.704792387,0.728693479,4.310662739,2.884258379,2.27550453,7.587006891,3.103329083,2.080720374,2.563655308,2.76664836,3.917491965,0.863620748,0.877133705,1.636764922,3.97130169,0.03498373,3.28E-04,6.87E-28,2.78E-73,2.16E-140,3.25E-229,0,0,0,0,0,0,0,0,0,0,0,0.361779719,2.880785181,0.188107211,3.564820428,0.032373333,0.07736169,0.345326773,0.188389196,1.6114152,0.072313201,0.007215871,0.161046497,0.138258914,2.46E-04,2.31E-06,4.84E-30,1.96E-75,1.52E-142,2.29E-231,0,0,0,0,0,0,0,0,0,0,0,1.16783093,2.881017342,0.609117613,3.867360878,0.254785289,0.236801361,0.797826366,0.637001994,2.046820987,0.233544223,0.066926793,0.462231248,0.574824105,0.002567611,2.41E-05,5.04E-29,2.04E-74,1.59E-141,2.39E-230,0,0,0,0,0,0,0,0,0,0,0,4.06891495,2.883877079,2.145921294,7.157352748,2.77225146,1.869815408,2.427741668,2.581333925,3.763822801,0.815074267,0.782183754,1.54640805,3.614298625,0.031169874,2.92E-04,6.12E-28,2.47E-73,1.93E-140,2.90E-229,0,0,0,0,0,0,0,0,0,0,0,1.721159818,2.881318283,0.899634005,4.228990944,0.527549421,0.420330011,1.108544767,0.968020922,2.356198762,0.344310883,0.142910906,0.668997264,0.977199643,0.005577191,5.23E-05,1.10E-28,4.43E-74,3.45E-141,5.19E-230,0,0,0,0,0,0,0,0,0,0,0,5.205745989,2.885861679,2.757330181,9.38608103,4.491612452,2.961820026,3.067006278,3.483980391,4.50064435,1.043483693,1.276031275,1.971332157,5.432039104,0.051020478,4.78E-04,1.00E-27,4.05E-73,3.16E-140,4.75E-229,0,0,0,0,0,0,0,0,0,0,0,2.15533992,2.881635119,1.128451668,4.600502248,0.810029507,0.606565072,1.35240813,1.240905993,2.604934768,0.431275435,0.222480668,0.831247088,1.351464626,0.008745936,8.20E-05,1.72E-28,6.94E-74,5.41E-141,8.14E-230,0,0,0,0,0,0,0,0,0,0,0,6.77876478,0.766486393,0.198168897,0.875422581,0.098985511,0.622827648,0.432944667,0.249989744,7.74342007,6.691065067,15.46413723,0.813133871,1.305762059,4.957738384,0.233060855,0.038907166,0.947995547,0.044564807,0.333600807,0.040309833,0.009636302,5.229706404,1.357414033,6.632075906,0.921993321,0.383546942,5.64011937,0.433603122,0.098630571,0.913771347,0.070249242,0.43142602,0.139272977,0.061926181,6.172353063,3.044628083,9.458189443,0.87065702,0.632625178,6.729330951,0.752070211,0.193849903,0.876757111,0.097986399,0.613785995,0.416917858,0.239211682,7.675251066,6.511198241,15.16750997,0.815135667,1.269915536,5.960955668,0.527591822,0.126690497,0.901094667,0.07975402,0.481791217,0.20593081,0.102173739,6.615237987,3.966988764,10.98066221,0.851642,0.789895765,6.93510672,0.812061573,0.211827137,0.87135453,0.102030662,0.65186083,0.485566739,0.28563696,7.95899543,7.272794155,16.42474361,0.807031794,1.423064529,6.723443508,0.750353092,0.193335509,0.876917655,0.097866201,0.612713587,0.41502873,0.237943838,7.667132109,6.489906898,15.13240827,0.815376482,1.265686155 +UMLS0283,L,"2,4-hexadiene",C/C=C/C=C/C,638071,,UML,[1],C6H10,PubChem,,16.4,0,-0.038,0.001444,35.3026,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1190.529654,1013.078141,826.396372,643.778859,461.161346,278.543833,84.835296,3885.475125,4800.404174,5835.09088,5418.88368,4464.654462,3634.760223,2804.865983,1974.971743,1061.424631,167.819552,166.665724,297.486168,362.252084,293.047888,250.717548,208.387208,166.056868,123.32736,29.42500648,37.33900896,50.13168111,49.55779744,40.76058708,33.74182834,26.7230696,19.70431086,12.01662072,3973.037281,3337.521256,6591.128897,8625.609131,6929.941219,5973.943916,5017.946613,4061.94931,3137.747111,41,48.5,72.25,79.25,64.75,54.25,43.5,34,24,48.76541633,52.3287937,28.34594414,19.48227194,19.6761041,17.88274608,15.37204487,11.60599304,4.713072,161.8947969,208.713225,138.9307352,104.2093015,106.3012967,100.9655617,93.49553276,82.29048929,58.96803508,6.992481333,7.246335826,7.083004,6.966386231,6.977330667,6.964376333,6.946240267,6.919036167,6.85152,1.226041937,1.623435172,1.193611455,0.953034566,0.970490169,0.93727301,0.890768987,0.821012953,0.66759004,165.54322,145.1096198,156.9316404,165.8770987,164.9986005,165.9428866,167.2648871,169.2478879,174.3192839,1.708333333,2.108695652,1.720238095,1.524038462,1.541666667,1.506944444,1.45,1.416666667,1.333333333,0.048042929,-0.004267344,-0.021216894,-0.001813525,-2.64E-04,6.86E-05,-0.001591007,0.001200155,-9.49E-04,645.6853813,-53.80711511,-242.132018,13.45177878,-40.35533633,-40.35533633,-40.35533633,-40.35533633,-2.74E-13,1200.679538,-100.0566282,-450.2548269,25.01415705,-75.04247115,-75.04247115,-75.04247115,-75.04247115,8.53E-14,0.126485333,-0.010540444,-0.047432,0.002635111,-0.007905333,-0.007905333,-0.007905333,-0.007905333,-1.09E-15,5.367596186,-0.447299682,-2.01284857,0.111824921,-0.335474762,-0.335474762,-0.335474762,-0.335474762,-4.47E-15,29.15686767,-2.429738973,-10.93382538,0.607434743,-1.822304229,-1.822304229,-1.822304229,-1.822304229,4.15E-14,3.5,-0.5625,-0.875,-0.125,-0.25,-0.125,-0.25,0.25,-0.375,0.002001789,-1.86E-04,-5.05E-04,-3.49E-05,-6.29E-06,1.90E-06,-5.30E-05,5.00E-05,-5.27E-05,26.90355756,-2.339439787,-5.765048048,0.258688053,-0.960841341,-1.120981565,-1.345177878,-1.681472347,-1.52E-14,50.0283141,-4.350288182,-10.72035302,0.481041482,-1.786725503,-2.084513087,-2.501415705,-3.126769631,4.74E-15,0.005270222,-4.58E-04,-0.001129333,5.07E-05,-1.88E-04,-2.20E-04,-2.64E-04,-3.29E-04,-6.03E-17,0.223649841,-0.019447812,-0.047924966,0.002150479,-0.007987494,-0.009318743,-0.011182492,-0.013978115,-2.48E-16,1.214869486,-0.105640825,-0.260329176,0.011681437,-0.043388196,-0.050619562,-0.060743474,-0.075929343,2.31E-15,0.145833333,-0.024456522,-0.020833333,-0.002403846,-0.005952381,-0.003472222,-0.008333333,0.010416667,-0.020833333,-0.092685449,-0.25235638,-0.017422159,-0.003144619,9.52E-04,-0.026493089,0.024980877,-0.0263425,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,-5.65E-16,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,9.47E-17,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,-1.14E-14,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,-1.11E-15,-0.086956522,-0.214285714,0.009615385,-0.035714286,-0.041666667,-0.05,-0.0625,1.90E-15,-0.167701863,-0.142857143,-0.016483516,-0.040816327,-0.023809524,-0.057142857,0.071428571,-0.142857143,1.420179723,1.328515501,1.037280547,1.052505826,0.981226352,0.903692839,0.669706074,0.604795484,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.5,1.334821429,0.912259615,0.975446429,0.958333333,0.934375,0.8984375,0.71875,1.571428571,1.173469388,0.963598901,0.99744898,0.935515873,0.903571429,0.75297619,1.095238095,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,39.97261829,19.98630914,31.80200733,39.97261829,4.996577286,19.98630915,1.78E-14,0.063383377,0.007922922,-2.206842917,35.03904747,4.379880934,2.845170465,44.7670589,22.30019612,35.82675439,44.6420589,5.580257363,22.30019612,-0.166666667,0.158085531,0.019760691,-1.475695247,39.18655619,4.898319524,2.934666987,0,11.89,12.11011416,-0.160379096,0.061052222,5.128426353,7.339204103,7,23,22,22,6,1,1,0,0,1,17.491312,3.527490705,3.234110572,2.831210223,2.392754557,1.842618743,1.505597868,1.2138498,0.750244665,1.897571247,1.734535424,1.470969949,1.160038899,0.875561505,0.676142288,0.551222741,0.260450516,3.551173607,3.268388379,2.876716151,2.448828435,1.923404201,1.601924298,1.330322032,0.886687543,1.84104913,1.662807566,1.383217965,1.058030055,0.746913597,0.536249299,0.398519435,0.093346384,3.657561912,3.418589157,3.073950685,2.68992671,2.261475488,1.995116805,1.791984456,1.417565245,1.679235415,1.448403886,1.112541047,0.736584028,0.325018697,0.067363139,0.125331865,0.488991305,3.568742156,3.29362483,2.910129036,2.489924856,1.982138152,1.671367871,1.413421059,0.983429672,1.805433811,1.616809906,1.326202038,0.99118314,0.661328654,0.442472911,0.295320977,0.02019177,3.71068298,3.491190721,3.167537655,2.802732236,2.414061303,2.167815127,1.988672893,1.639106613,1.63025996,1.380651064,1.02454834,0.629922767,0.178847098,0.099571477,0.317320309,0.706696498,3.606424235,3.308759618,2.985936889,2.580127997,2.050735357,1.75082089,1.495311531,1.142058977,1.789206489,1.565224221,1.2412358,0.868080487,0.562276236,0.328787169,0.180828733,0.186892212,0,0,0,2,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.983127663,3.564043477,2.021881336,1.12671313,0.606493072,0.319035594,0.166666667,0.083333333,0.747890958,0.509149068,0.336980223,0.225342626,0.151623268,0.106345198,0.083333333,0.083333333,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,6,2,0,2,0,0,0,0,0,0,0,0,2,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.499166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.590069444,0,0,1.509930556,0.580555556,0,0.590069444,0,0,0,0,0,0,0,0,4.391102608,0,5.109730726,0,4.499166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.231805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,0.216944444,0.290277778,0,0.290694444,0,0,0,0,0,0,0,0,2.169092971,0,1.184240363,0,2.231805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.299375,0,0,0.290277778,0.290277778,0,0.299375,0,0,0,0,0,0,0,0,2.222009637,0,1.34375,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,1.75,0.299375,2.267361111,0.216944444,1.184240363,5.619613203,0.315759637,0.267361111,1.780538549,0.315759637,0.267361111,1.780538549,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.25,0,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,6.79509,0.84939,7.95768,1.16259,0.14532,3.37132,0.42142,3.91421,0.54289,0.06786,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,0.75,0.918295834,1.947338796,3.105388542,3.772055209,3.772055209,3.340199877,22.03910002,46.73613111,74.52932501,90.52932501,90.52932501,80.16479704,0.200284263,0.424722949,0.677298569,0.822701431,0.822701431,0.728511929,3.666666667,2.637623705,1.479573959,0.812907292,0.812907292,1.244762624,0.200284263,0.424722949,0.677298569,0.822701431,0.822701431,0.728511929,6.73287657,15.09808847,19.01324374,20.60114167,19.68512709,17.98813392,31.59900002,21.28780565,17.50651667,14.40739375,15.48446146,18.47455824,8,7,7.2,8,2,8,2.34,1.1928,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.706,6,5,4,3,2,1,0,0,0,36,2.197224577,2.197224577,2.197224577,2.079441542,1.945910149,1.609437912,1.098612289,0,0,0,3.951243719,1.416666667,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,144.287877,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,112.1252005,4.671883355,14.83110795,1.853888494,0,0,0,84,5,4.376,26,1.21491647,2.112388427,2.884732475,3.676861661,5.017466604,6.005538969,7.303275782,8.327159106,9.506168774,0,74.61528623,68.01987791,68.7206182,92.71856511,105.6656768,109.0687148,95.32656985,42.17724749,9.658875869,0,279.3641124,317.1768911,333.0069876,459.0598198,554.8436602,620.4878129,639.6440977,513.1410591,295.4873207,0,8.839019751,15.01756954,20.15599712,25.84965546,35.0638784,41.89459652,50.65342522,57.15917528,63.86685268,0,2.112294483,2.667387726,2.936688603,4.015164904,5.005547461,5.743610316,6.257840875,5.735890224,4.226565312,0,174.0966549,327.4819071,474.4081433,592.0601579,823.795877,991.0034029,1226.801219,1443.182717,1757.858409,0,2.65122145,3.76061571,4.552120697,6.097375357,7.842767453,9.081531114,10.63998075,11.36712376,9.506168774,0,0.437767745,0.563911328,0.627515721,0.855664116,1.072987036,1.236160898,1.35911085,1.271000228,0.973431682,0,379.8134467,182.7262273,10.68406917,100.5098901,-48.35477304,-6.538599772,279.3035567,231.0810003,17.22266895,0.790745353,0.38042338,0.022243494,0.209254647,-0.100671296,-0.013612913,182.4332621,87.7676712,5.131807756,48.27724578,-23.22592594,-3.140642061,0.118262635,0.183312312,1.771175331,1.441231248,480.3233368,0,1,0,457.004067,21.37765345,7.702647468,617.1871281,24.84325116,8.514104049,686.2277545,26.1959492,8.820423271,2.631176076,2.631176076,999.4774225,974.1966661,44.2518466,1.025950362,22.58611785,22.01482516,4.432616101,5.923847408,10.53159396,0.777830054,6.513861769,5.891083686,3.040135942,24.21113781,10.96470277,1.555880551,5.228416944,6.390668207,14.83562422,0.064099471,2.53374554,9.060413122,1.878364206,10.62002715,0.001403402,3.64184294,2.8836637,0.632239877,5.34E-04,0.905002288,2.96E-10,1.87E-41,2.27E-94,5.34E-169,2.42E-265,0,0,0,0,0,0.546671377,5.884945006,0.250810018,6.125804002,0.083825341,0.129041637,0.885272614,0.069760438,4.251272308,4.54E-04,0.109266053,0.659693809,0.052321225,2.294130951,9.90E-06,0.104925175,0.083239738,0.047470239,3.81E-06,0.006374005,2.09E-12,1.32E-43,1.60E-96,3.76E-171,1.70E-267,0,0,0,0,0,1.764702152,5.885355357,0.812496842,7.430380496,0.821703934,0.414356167,1.771558833,0.532627555,5.565079007,0.004710786,0.412623501,2.107477275,0.238295577,3.448382555,1.03E-04,0.464335362,0.371909172,0.15692265,3.93E-05,0.066422048,2.17E-11,1.37E-42,1.67E-95,3.92E-170,1.77E-266,0,0,0,0,0,6.148554649,5.890409766,2.866660578,22.25951601,9.773897285,1.466431344,4.962447103,5.711012463,13.88812861,0.057113149,2.317563496,8.451677561,1.70050568,9.917433433,0.001250419,3.297057141,2.612123009,0.592934325,4.76E-04,0.806340745,2.64E-10,1.66E-41,2.03E-94,4.76E-169,2.15E-265,0,0,0,0,0,2.600842094,5.885887261,1.200355825,9.034688703,1.76860956,0.61197749,2.380038432,1.09603309,6.718364474,0.010226473,0.67773825,3.180607851,0.421414034,4.402633528,2.24E-04,0.818707827,0.65408742,0.23500124,8.53E-05,0.144277563,4.72E-11,2.98E-42,3.62E-95,8.51E-170,3.85E-266,0,0,0,0,0,7.866429607,5.893917392,3.685519619,32.39592515,15.969461,1.889454128,6.213280811,9.239459909,18.68386685,0.093475123,3.411103498,11.42152727,2.611911213,13.44042562,0.002046672,5.064057147,4.002713531,0.781751871,7.79E-04,1.319860783,4.32E-10,2.72E-41,3.32E-94,7.78E-169,3.52E-265,0,0,0,0,0,3.741512231,5.333740167,1.789620042,12.05155298,3.606420606,0.86804387,3.433995635,2.180649903,8.520043909,0.020939344,1.10614376,4.566808119,0.730178786,5.771779523,4.58E-04,1.352918556,1.20606597,0.38915216,1.75E-04,0.295510951,9.67E-11,6.10E-42,7.42E-95,1.74E-169,7.89E-266,0,0,0,0,0,10.32157244,0.80988251,0.392162361,0.895688581,0.070280233,0.584931463,0.630249888,0.499988149,11.52361731,12.72459864,27.52640348,0.843532872,1.7151695,8.610262589,0.309979716,0.084544021,0.956187329,0.034423884,0.407448128,0.09314336,0.02323773,9.004786327,3.423159908,12.6535948,0.934280994,0.523829217,9.28971938,0.508744813,0.206720041,0.928490587,0.05084812,0.474069349,0.250166831,0.138929047,10.00518423,6.751635464,17.73379857,0.89273588,0.863165228,10.27918469,0.797526865,0.384546598,0.896863551,0.069584583,0.580147126,0.611329329,0.480757247,11.46125815,12.45743768,27.07118036,0.845295327,1.672233703,9.592679969,0.597243866,0.261178922,0.917862946,0.057146493,0.505407519,0.34422824,0.221770687,10.45110276,8.390562584,20.33800359,0.87679442,1.071406446,10.45428299,0.848558908,0.416005283,0.892091417,0.07240976,0.600038176,0.691298461,0.562633497,11.71884718,13.5731169,28.98237813,0.838137126,1.853970134,10.29639466,0.797475877,0.384900095,0.896994547,0.06947398,0.582068666,0.610880318,0.481641533,11.47877063,12.48115819,27.12039214,0.84549182,1.674590517 +UMLS0284,L,trans-3-octene,CCCC/C=C/CC,638228,Sandia values from independent api report ,Sandia,,C8H16,PubChem,,4.4,0,0.9262,0.85784644,29.3132,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,803.11258,630.655707,447.02213,264.404617,81.787104,9.144576,0,2914.106344,3494.423905,4007.996657,3488.939862,2627.961878,1798.067638,968.1733981,279.7536999,0,125.864664,123.114164,212.027152,236.881452,187.832648,145.502308,103.171968,60.466176,0,22.06875486,27.30703172,34.75630082,32.18367113,24.72029948,17.70154074,10.682782,4.001516144,0,2979.777961,2471.442353,4742.724499,5635.903716,4494.988761,3538.991458,2582.994154,1664.258868,0,32.5,38.25,53,53.5,42,31.5,21,9,0,48.76541633,50.97680359,26.77041933,18.54869726,16.55637519,12.59069605,5.4524736,1.016064,0,161.8947969,205.5543474,133.5998886,102.6158783,97.33192139,85.62226847,64.54489321,31.08374443,0,6.992481333,7.242009647,7.067571733,6.967101529,6.956764741,6.928681333,6.8781312,6.718464,0,1.226041937,1.606295984,1.158543361,0.946578563,0.915566648,0.842930512,0.712185467,0.444612905,0,165.54322,145.3789619,158.0908166,165.761874,166.4810652,168.5234028,172.1996103,184.917652,0,1.805555556,2.25,1.766666667,1.573529412,1.555555556,1.5,1.4,1,0,0.040002738,-0.00278122,-0.020139622,-0.001100626,4.31E-04,-0.00173934,-2.93E-04,0.00562097,0,484.264036,-53.80711511,-161.4213453,-26.90355756,-40.35533633,-40.35533633,-40.35533633,121.066009,0,900.5096538,-100.0566282,-300.1698846,-50.0283141,-75.04247115,-75.04247115,-75.04247115,225.1274134,0,0.094864,-0.010540444,-0.031621333,-0.005270222,-0.007905333,-0.007905333,-0.007905333,0.023716,0,4.025697139,-0.447299682,-1.341899046,-0.223649841,-0.335474762,-0.335474762,-0.335474762,1.006424285,0,21.86765075,-2.429738973,-7.289216918,-1.214869486,-1.822304229,-1.822304229,-1.822304229,5.466912688,0,3.111111111,-0.438271605,-0.87962963,-0.237654321,-0.166666667,-0.018518519,-0.509259259,0.694444444,0,0.002222374,-1.64E-04,-6.71E-04,-3.24E-05,1.60E-05,-8.28E-05,-1.95E-05,6.25E-04,0,26.90355756,-3.165124418,-5.380711511,-0.791281105,-1.494642086,-1.921682683,-2.690355756,13.45177878,0,50.0283141,-5.885684011,-10.00566282,-1.471421003,-2.779350783,-3.573451007,-5.00283141,25.01415705,0,0.005270222,-6.20E-04,-0.001054044,-1.55E-04,-2.93E-04,-3.76E-04,-5.27E-04,0.002635111,0,0.223649841,-0.026311746,-0.044729968,-0.006577937,-0.012424991,-0.015974989,-0.022364984,0.111824921,0,1.214869486,-0.142925822,-0.242973897,-0.035731455,-0.067492749,-0.086776392,-0.121486949,0.607434743,0,0.172839506,-0.025780683,-0.029320988,-0.006989833,-0.00617284,-8.82E-04,-0.033950617,0.077160494,0,-0.073615485,-0.302073659,-0.014566106,0.007186887,-0.037269021,-0.008782605,0.281029244,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.117647059,-0.2,-0.029411765,-0.055555556,-0.071428571,-0.1,0.5,0,-0.149159664,-0.169642857,-0.040441176,-0.035714286,-0.005102041,-0.196428571,0.446428571,0,1.360986915,1.377599631,1.010757438,0.960329614,0.903051764,0.61620132,0.003719356,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.5,1.275,0.9375,0.944444444,0.910714286,0.85,0,0,1.526785714,1.161160714,0.944196429,0.936011905,0.878188776,1.092857143,0,0,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,21.54138226,10.77069113,17.39157183,21.54138226,3.590230377,10.77074802,3.55E-15,0.089245164,0.014874194,-1.449820824,19.7283799,3.288063317,1.789234922,24.51389036,12.20138963,20.14622415,24.43981629,4.073302715,12.20140297,-0.111111111,0.186385835,0.031064306,-1.007961824,40.95256977,6.825428295,2.227448737,0,11.89,12.11007471,-0.181125823,0.043355217,5.090583876,6.867637229,5,17,16,16,4,1,1,0,0,1,13.118484,3.481399334,3.049930099,2.428688263,1.891521341,1.331311296,0.765847009,0.083923071,0.083923071,1.863783038,1.611524163,1.239148958,0.863568446,0.602169637,0.264964675,0.083923071,0.083923071,3.505841441,3.088836534,2.489259763,1.967536665,1.439322469,0.900454728,0.270913902,0.270913902,1.805414244,1.532245906,1.133409581,0.741875589,0.454381641,0.09844123,0.270913902,0.270913902,3.615755954,3.258909237,2.747078453,2.284983883,1.873215159,1.426223898,0.943918427,0.943918427,1.638161172,1.292529721,0.79650392,0.344649558,0.048210994,0.480977355,0.943918427,0.943918427,3.523980836,3.11746945,2.533503899,2.022738466,1.516763663,0.996044729,0.399277246,0.399277246,1.768615858,1.481153979,1.063829824,0.661089052,0.354796896,0.014648039,0.399277246,0.399277246,3.670672848,3.340669691,2.86633473,2.428306665,2.060498847,1.646329442,1.207644823,1.207644823,1.587536355,1.216048922,0.683298907,0.207422135,0.230283037,0.697079997,1.207644823,1.207644823,3.551518429,3.152426137,2.604035092,2.094515748,1.568267128,1.124870062,0.545454545,0.545454545,1.76090306,1.401965688,0.980750265,0.562223677,0.269870672,0.152808039,0.545454545,0.545454545,0,0,0,2,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.568914101,2.526038674,1.357710728,0.691044062,0.333333333,0.166666667,0,0,0.761485683,0.505207735,0.339427682,0.230348021,0.166666667,0.166666667,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,2,0,2,0,0,0,0,0,0,0,0,2,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.650416667,0,0,0.759305556,0.580555556,0,0.650416667,0,0,0,0,0,0,0,0,4.231805556,0,2.500833333,0,4.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.225625,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.05125,0,1.232638889,0,2.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.334097222,0,0,0.290277778,0.290277778,0,0.334097222,0,0,0,0,0,0,0,0,2.180555556,0,1.268194444,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.334097222,2.180555556,0.225625,1.232638889,4.228402778,0.267361111,0.180555556,0.998333333,0.267361111,0.180555556,0.998333333,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.33333,0,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.28976,0.71496,5.31294,1.02318,0.17053,2.31066,0.38511,2.91421,0.60355,0.10059,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.102187171,3.308270835,3.419381946,3.419381946,2.775772918,16.52932501,37.83936908,59.54887502,61.54887502,61.54887502,49.96391252,0.220218789,0.504130691,0.793364589,0.820010419,0.820010419,0.66566495,3.251629167,2.06773783,0.861654167,0.750543056,0.750543056,1.394152084,0.220218789,0.504130691,0.793364589,0.820010419,0.820010419,0.66566495,6.73287657,16.17613249,18.61300657,18.72498713,18.72498713,12.98339237,23.69925001,15.20198837,13.03809584,12.79699306,12.79699306,10.42172153,6,5,5.333333333,6,2,6,2.12,0.911,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,2.708,4,3,2,1,0,0,0,0,0,21,1.945910149,1.945910149,1.791759469,1.609437912,1.098612289,0,0,0,0,0,3.401197382,1.380952381,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,109.6959078,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,84.09390038,4.671883355,10.83915043,1.806525072,0,0,0,35,3,3.343,18,1.206396379,2.097560557,2.898270293,3.689440838,5.016571418,5.99594228,7.182363778,0,0,0,71.97818168,64.20430444,65.33198828,77.59701671,73.51567691,36.07314604,7.29774127,0,0,0,272.466058,304.0471556,327.7869634,417.4182393,464.6184647,412.5039816,223.2547601,0,0,0,8.770268591,14.88192187,20.25060516,25.84371741,34.85999438,41.36253993,48.25445248,0,0,0,2.070684068,2.577944778,2.920701163,3.76785113,4.459588917,4.474106304,3.193371623,0,0,0,173.2968481,327.4386323,476.4063524,600.8199303,837.7631565,1022.808106,1328.145846,0,0,0,2.817128738,3.849535568,4.731434682,6.177957611,7.810716733,8.699108817,7.182363778,0,0,0,0.429539376,0.545864906,0.625019011,0.807247933,0.965569602,0.985940205,0.735474051,0,0,0,290.3297615,109.9011876,8.690774595,80.98027751,-30.65420723,-5.233690643,209.349484,140.5553948,13.92446524,0.781906577,0.295982268,0.023405709,0.218093423,-0.082556904,-0.014095204,107.8023551,40.80741426,3.226971854,30.06879,-11.38221488,-1.943321877,0.150280215,0.240483033,2.270637715,2.208357191,371.310039,0,1,0,332.8191526,18.24333173,6.930045779,453.1269584,21.28677896,7.68080313,469.5227006,21.6684725,7.772347296,2.273015496,2.191724646,438.4515012,421.8972962,29.22268042,1.039237523,15.00380851,14.43732369,3.621421223,4.500141067,7.773662527,0.72742641,4.957758093,3.96841599,2.315873131,14.85138041,5.773402976,2.57295371,2.916125814,6.167054752,5.620474118,0.840282009,0.870622834,1.679547081,4.008329187,0.005204749,0.011908209,2.44E-23,9.67E-66,7.38E-130,1.09E-215,3.0E-323,0,0,0,0,0,0,0,0,0,0,0.416078041,3.963670072,0.19079742,4.101176477,0.047931533,0.085888633,0.593350463,0.205393211,2.141268466,0.026120004,0.028795689,0.189610379,0.14977624,3.68E-05,8.39E-05,1.72E-25,6.81E-68,5.20E-132,7.65E-218,0,0,0,0,0,0,0,0,0,0,0,1.343131765,3.963987311,0.618261643,4.88698261,0.442410538,0.362114214,1.067138608,0.868728711,2.618498086,0.113574351,0.122094482,0.492342488,0.606461938,3.82E-04,8.74E-04,1.79E-24,7.10E-67,5.42E-131,7.98E-217,0,0,0,0,0,0,0,0,0,0,0,4.679719695,3.967894968,2.183545591,13.69496595,5.149003236,2.338822474,2.773806953,5.606252537,5.325069496,0.762586299,0.791303318,1.587840458,3.655040252,0.004637443,0.01061,2.18E-23,8.62E-66,6.58E-130,9.68E-216,3.0E-323,0,0,0,0,0,0,0,0,0,0,1.979525084,3.964398531,0.913575714,5.844638472,0.943087512,0.620452978,1.392480217,1.488453154,3.015269063,0.196986617,0.209460164,0.700573012,1.018221494,8.30E-04,0.001898434,3.90E-24,1.54E-66,1.18E-130,1.73E-216,0,0,0,0,0,0,0,0,0,0,0,5.987209136,3.970606793,2.808356636,19.69883883,8.39625624,3.532799085,3.443204998,8.465807244,6.807794998,1.159579578,1.195853335,2.019656061,5.449324523,0.00759014,0.017367004,3.56E-23,1.41E-65,1.08E-129,1.58E-215,4.0E-323,0,0,0,0,0,0,0,0,0,0,2.717515881,3.653488169,1.286306116,7.191778161,1.744553825,0.895990778,1.845519273,2.164059466,3.619419804,0.289108789,0.346676789,1.028470977,1.662933127,0.001549111,0.003542938,7.27E-24,2.88E-66,2.20E-130,3.23E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,6.245934765,0.749972934,0.349169828,0.850356547,0.102105516,0.578638337,0.513131272,0.444431184,7.345077527,7.127041907,16.10772938,0.775534821,1.536200794,4.953260344,0.272259124,0.075275509,0.934437262,0.051361942,0.364521529,0.067935127,0.020655633,5.300794977,1.741923959,7.144233253,0.901655893,0.453112289,5.466256611,0.462403597,0.184057442,0.894243268,0.075646157,0.443548656,0.195809805,0.123491729,6.112717651,3.618830755,10.19677507,0.841364903,0.76285019,6.213893814,0.73818406,0.342388976,0.851864014,0.101197809,0.572730321,0.497225314,0.427337154,7.294466851,6.967312194,15.83231638,0.777796022,1.497292789,5.6951069,0.546972078,0.232546027,0.879604131,0.084479345,0.481324976,0.27374762,0.19712829,6.474625005,4.566635121,11.76565599,0.819406196,0.952200887,6.346256923,0.786870255,0.370398864,0.84576996,0.104866732,0.597334458,0.564500839,0.500115596,7.503526041,7.635783003,16.98896274,0.768654941,1.661950893,6.225512171,0.737522064,0.342296406,0.852187598,0.100956699,0.574868009,0.496290285,0.427106111,7.305330641,6.97487418,15.85184254,0.778281397,1.498264405 +UMLS0285,L,trans-2-hexene,CCC/C=C/C,639661,Sandia values from independent api report ,Sandia,,C6H12,PubChem,,11.9,0,0.6382,0.40729924,32.2248,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,996.821117,827.412436,643.778859,450.070322,264.404617,81.787104,9.144576,3399.790734,4147.41404,4921.543769,4495.738207,3634.760223,2721.213111,1798.067638,968.1733981,279.7536999,146.842108,144.889944,254.75666,299.766352,250.717548,207.98804,145.502308,103.171968,60.466176,25.74688067,32.32302034,42.44399096,41.20519999,33.74182834,26.0541382,17.70154074,10.682782,4.001516144,3476.407621,2904.481805,5666.926698,7114.858871,5973.943916,5049.741717,3538.991458,2582.994154,1664.258868,36.75,43.5,62.25,65.5,55,45,31.5,21,9,48.76541633,51.7541979,27.68947547,19.24214967,17.88274608,15.00234407,12.59069605,5.4524736,1.016064,161.8947969,207.370702,136.7095491,104.5520513,100.9655617,90.70710369,85.62226847,64.54489321,31.08374443,6.992481333,7.2444972,7.076573889,6.971310512,6.964376333,6.932934667,6.928681333,6.8781312,6.718464,1.226041937,1.616151017,1.178999749,0.958260465,0.93727301,0.868471273,0.842930512,0.712185467,0.444612905,165.54322,145.2240902,157.4146305,165.4618342,165.9428866,168.3247239,168.5234028,172.1996103,184.917652,1.75,2.175,1.729166667,1.523255814,1.527777778,1.5,1.5,1.4,1,0.044255737,-0.002724614,-0.022405807,-0.002754175,0.003623632,-4.83E-04,-0.002641926,-3.61E-04,0.005618788,564.9747087,-53.80711511,-201.7766817,-26.90355756,-40.35533633,-2.17E-13,-40.35533633,-40.35533633,121.066009,1050.594596,-100.0566282,-375.2123557,-50.0283141,-75.04247115,1.42E-13,-75.04247115,-75.04247115,225.1274134,0.110674667,-0.010540444,-0.039526667,-0.005270222,-0.007905333,-4.52E-16,-0.007905333,-0.007905333,0.023716,4.696646663,-0.447299682,-1.677373808,-0.223649841,-0.335474762,-2.58E-15,-0.335474762,-0.335474762,1.006424285,25.51225921,-2.429738973,-9.111521147,-1.214869486,-1.822304229,-4.22E-15,-1.822304229,-1.822304229,5.466912688,3.30952381,-0.366213152,-0.93537415,-0.419501134,0.017006803,0.022108844,-0.047619048,-0.542517007,0.617346939,0.002107416,-1.36E-04,-6.22E-04,-6.41E-05,1.01E-04,-1.61E-05,-1.26E-04,-2.41E-05,6.24E-04,26.90355756,-2.690355756,-5.604907824,-0.625664129,-1.120981565,-7.22E-15,-1.921682683,-2.690355756,13.45177878,50.0283141,-5.00283141,-10.42256544,-1.163449165,-2.084513087,4.74E-15,-3.573451007,-5.00283141,25.01415705,0.005270222,-5.27E-04,-0.001097963,-1.23E-04,-2.20E-04,-1.51E-17,-3.76E-04,-5.27E-04,0.002635111,0.223649841,-0.022364984,-0.046593717,-0.005201159,-0.009318743,-8.60E-17,-0.015974989,-0.022364984,0.111824921,1.214869486,-0.121486949,-0.25309781,-0.028252779,-0.050619562,-1.41E-16,-0.086776392,-0.121486949,0.607434743,0.157596372,-0.018310658,-0.025982615,-0.00975584,4.72E-04,7.37E-04,-0.002267574,-0.0361678,0.068594104,-0.064643464,-0.295330163,-0.030392941,0.047762965,-0.007632156,-0.059696803,-0.011427678,0.296244171,-0.1,-0.208333333,-0.023255814,-0.041666667,-2.69E-16,-0.071428571,-0.1,0.5,-0.1,-0.208333333,-0.023255814,-0.041666667,9.47E-17,-0.071428571,-0.1,0.5,-0.1,-0.208333333,-0.023255814,-0.041666667,-2.86E-15,-0.071428571,-0.1,0.5,-0.1,-0.208333333,-0.023255814,-0.041666667,-3.85E-16,-0.071428571,-0.1,0.5,-0.1,-0.208333333,-0.023255814,-0.041666667,-1.16E-16,-0.071428571,-0.1,0.5,-0.11618705,-0.164868106,-0.061903965,0.002997602,0.004676259,-0.014388489,-0.229496403,0.435251799,1.373421493,1.382359431,0.99691271,0.864383522,0.945994284,0.976337212,0.657527898,0.003972094,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.5,1.30952381,0.946843854,0.952380952,0.857142857,0.918367347,0.857142857,0,1.510791367,1.154076739,0.931069098,0.881294964,0.931654676,0.971223022,1.208633094,0,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,30.31166463,15.15583231,24.45905443,30.31166463,4.330237804,15.15583311,1.42E-14,0.087547443,0.012506778,-1.7049021,27.53934383,3.934191975,2.320930967,35.10544132,17.48129209,28.8982439,35.0034005,5.000485786,17.48129216,-0.142857143,0.183534832,0.026219262,-1.186745565,21.80287736,3.114696766,2.157429365,0,11.89,12.11009426,-0.181125901,0.043377598,5.108787686,7.182011159,6,20,19,19,5,1,1,0,0,1,15.304898,3.502283833,3.174689649,2.647819903,2.141038364,1.662474916,1.228701565,0.765585611,0.083923071,1.88576869,1.676171393,1.375066214,1.023999473,0.748879162,0.560297645,0.26494977,0.083923071,3.526963431,3.208895978,2.700440482,2.208289868,1.74963351,1.34416454,0.900259949,0.270913902,1.827582872,1.604059501,1.277307308,0.910722223,0.616382834,0.407774127,0.098421578,0.270913902,3.637664543,3.359069382,2.92737616,2.492296558,2.109936044,1.802986042,1.426157545,0.943918427,1.660172369,1.388928624,0.971477704,0.54629082,0.176901559,0.114680916,0.481032874,0.943918427,3.545264645,3.234096227,2.739031931,2.257297879,1.812739275,1.426624494,0.995885952,0.399277246,1.790839239,1.557850432,1.213420877,0.835927735,0.527882588,0.304750691,0.014671876,0.399277246,3.692798026,3.431805311,3.034124997,2.622330165,2.270371888,1.998904681,1.646285725,1.207644823,1.609287721,1.321097279,0.87075811,0.422403721,0.022514211,0.305789472,0.697164539,1.207644823,3.57945078,3.267745145,2.795034571,2.350257742,1.87579871,1.495487606,1.142447682,0.56,1.792098626,1.470765026,1.133083257,0.730219577,0.424809806,0.204442835,0.169196891,0.56,0,0,0,2,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,5.276020882,3.026038674,1.711264119,0.960046463,0.488641942,0.23570226,0.11785113,0,0.753717269,0.504339779,0.342252824,0.240011616,0.162880647,0.11785113,0.11785113,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,4,2,0,2,0,0,0,0,0,0,0,0,2,0,3,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.318611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.633472222,0,0,0.97625,0.580555556,0,0.633472222,0,0,0,0,0,0,0,0,4.276944444,0,3.904444444,0,4.318611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.106805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.216944444,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.065138889,0,1.256944444,0,2.106805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.211805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327152778,0,0,0.290277778,0.290277778,0,0.327152778,0,0,0,0,0,0,0,0,2.211805556,0,1.337638889,0,2.211805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.5,1.785714286,0.327152778,2.211805556,0.216944444,1.256944444,4.938793333,0.243055556,0.211805556,1.191111111,0.243055556,0.211805556,1.191111111,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.28571,0,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.52313,0.78902,6.60412,1.08099,0.15443,2.81066,0.40152,3.41421,0.60355,0.08622,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.058053137,3.368042423,3.653756708,3.653756708,3.290069569,19.28421252,43.21911587,70.72889087,76.72889087,76.72889087,69.09146095,0.209068641,0.468557469,0.766803056,0.831851698,0.831851698,0.749050957,3.474021589,2.334264286,1.024275,0.738560714,0.738560714,1.102247854,0.209068641,0.468557469,0.766803056,0.831851698,0.831851698,0.749050957,6.73287657,16.07411706,19.48810467,19.77605468,19.77605468,17.11042065,27.64912502,17.70101564,14.3059685,13.54772211,13.54772211,12.70318223,7,6,6,7,2,7,2.23,1.0519,0.166666667,3.838519496,0,0,5.676240019,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.207,5,4,3,2,1,0,0,0,0,28,2.079441542,2.079441542,1.945910149,1.791759469,1.609437912,1.098612289,0,0,0,0,3.663561646,1.357142857,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,0,126.9918924,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,98.10955045,4.671883355,12.83378878,1.833398397,0,0,0,56,4,3.912,22,1.211236555,2.106146174,2.894269068,3.675429034,4.994895307,6.023464854,7.337468311,8.219037532,0,0,73.49186037,66.47448687,67.92962066,84.09726931,88.48369883,88.75955058,42.29125961,8.351068151,0,0,276.4211428,311.8083112,334.3272846,434.2800493,495.6536773,565.7048895,490.8222375,255.4784621,0,0,8.809375226,14.96076331,20.23573863,25.78350404,34.74145193,41.90056746,50.55026797,55.21930777,0,0,2.094519856,2.630657003,2.957265242,3.863205896,4.609649551,5.422097492,5.363387285,3.654290152,0,0,173.7481089,327.4430955,474.8479226,595.8671039,832.4670305,1002.388072,1256.961811,1519.845122,0,0,2.730269027,3.772419654,4.560018482,6.042529477,7.78706437,9.463099175,10.47837957,8.219037532,0,0,0.434251815,0.556494339,0.632079826,0.825685462,0.993584188,1.173371933,1.183546145,0.841629443,0,0,369.7257927,159.5692303,10.62343689,120.6999243,-52.09264378,-7.866851465,249.0258684,211.6618741,18.49028835,0.753887449,0.325368807,0.021661664,0.246112551,-0.106219234,-0.016040862,181.323037,78.25685418,5.210006652,59.19434692,-25.54757218,-3.85810627,0.131808696,0.210923682,1.848666864,2.016512671,490.425717,0,1,0,394.9492309,19.87332964,7.336919558,535.2109823,23.13462734,8.119108381,576.4085702,24.00851037,8.322302096,2.372812479,2.372812479,677.5796152,654.576458,38.81628386,1.035142048,17.45606606,16.8634499,4.06680517,4.666948778,9.036208595,0.936213364,5.74282719,4.913808468,2.664705646,20.26978622,8.318026648,2.51146666,3.604883647,6.829892973,9.955181505,1.183042766,1.903909714,3.806975181,3.768804223,2.862114773,1.111516222,0.732841838,1.754398586,9.09E-10,9.09E-41,1.75E-93,6.52E-168,4.68E-264,0,0,0,0,0,0,0,0,0.481963593,4.90825411,0.219719348,5.114495423,0.066347009,0.082537669,0.78078309,0.206624456,3.242013256,0.034031491,0.058819403,0.372975931,0.151912583,1.069857338,0.048698126,0.043392381,0.012356373,6.41E-12,6.40E-43,1.23E-95,4.59E-170,3.30E-266,0,0,0,0,0,0,0,0,1.555818011,4.908625392,0.711857863,6.2064129,0.630439375,0.34976208,1.356996536,0.90854651,4.122883557,0.152854921,0.254292385,1.071057012,0.598705052,1.397775845,0.186580976,0.152009061,0.12876293,6.67E-11,6.67E-42,1.29E-94,4.79E-169,3.43E-265,0,0,0,0,0,0,0,0,5.42076089,4.913198694,2.512571852,18.63389024,7.416556908,2.281908244,3.431907319,6.194462757,9.371061872,1.071765245,1.726869991,3.59573241,3.444260415,2.738979414,1.018482104,0.679273136,1.563137555,8.10E-10,8.10E-41,1.56E-93,5.81E-168,4.17E-264,0,0,0,0,0,0,0,0,2.292985403,4.909106663,1.051754763,7.550296631,1.35029692,0.601070954,1.752621951,1.583400839,4.872895438,0.268781443,0.442265433,1.551120361,0.99196415,1.634140688,0.304708072,0.236106512,0.279690291,1.45E-10,1.45E-41,2.80E-94,1.04E-168,7.46E-265,0,0,0,0,0,0,0,0,6.935293734,4.916372457,3.230774354,27.13076704,12.10574111,3.453229883,4.245435817,9.443705617,12.31450592,1.641532952,2.632171392,4.590265443,5.087529212,3.333260905,1.487736566,0.944082305,2.558625457,1.33E-09,1.33E-40,2.56E-93,9.51E-168,6.82E-264,0,0,0,0,0,0,0,0,3.233741431,4.517189611,1.518854923,9.678598865,2.638147876,0.918880074,2.325413388,2.465313405,6.253601947,0.423423164,0.778250709,2.351581031,1.463668191,2.290567931,0.515282162,0.385766351,0.550179397,2.85E-10,2.85E-41,5.50E-94,2.05E-168,1.47E-264,0,0,0,0,0,0,0,0,7.927063666,0.816739314,0.373579739,0.869445093,0.089580457,0.561646898,0.557088365,0.476173195,9.11738272,9.740852179,21.27691885,0.804167639,1.594908458,6.610377534,0.316505469,0.080537901,0.943339586,0.045167184,0.390627334,0.08358215,0.022130892,7.007420904,2.650097258,9.826021221,0.915009379,0.496340376,7.13328782,0.515216823,0.196924607,0.909228494,0.065670954,0.45483634,0.221592659,0.132311713,7.84542925,5.181368662,13.75053324,0.863842741,0.808740711,7.89446296,0.8043582,0.366324849,0.870858887,0.08873086,0.557038326,0.540320824,0.457858281,9.06514601,9.53657037,20.92787039,0.80628833,1.55521743,7.36638595,0.603775159,0.248802953,0.896266962,0.073461224,0.485033843,0.304366284,0.211207519,8.218964062,6.430640467,15.75619071,0.844400443,1.000607646,8.029128713,0.855500334,0.396292864,0.865121891,0.092178379,0.576198113,0.611237547,0.53583468,9.280921911,10.38983738,22.39286418,0.797682836,1.723270339,7.916061296,0.804243237,0.36647009,0.87116294,0.088507008,0.560093867,0.540153902,0.458221418,9.086774624,9.562169554,20.98205357,0.80674441,1.558469186 +UMLS0286,L,trans-2-heptene,CCCC/C=C/C,639662,"Sanda values from the independent api report and co-optima database from their api report, because values are not super different average sensitivities",Sandia,,C7H14,PubChem,,4.25,0,1.6606,2.75759236,30.6836,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,913.087565,804.128644,409.689673,100.076256,9.144576,0,0,2914.106344,3494.423905,4149.471199,4039.080402,3174.907034,1527.680798,279.7536999,0,0,125.864664,123.114164,211.6517,218.745616,230.913892,224.10432,60.466176,0,0,22.06875486,27.30703172,35.0937937,35.20091372,31.06407246,18.68581429,4.001516144,0,0,2979.777961,2471.442353,4779.986516,4927.642151,5376.46203,5911.511891,1664.258868,0,0,33.02777778,39.16666667,53.16666667,56,55.5,39,9,0,0,48.76541633,50.97680359,30.43625217,25.93963368,12.41483858,3.032613818,1.016064,0,0,161.8947969,205.5543474,138.3157066,130.2929162,96.20930407,46.29335751,31.08374443,0,0,6.992481333,7.242009647,7.055056667,7.056310194,6.997390667,6.79104,6.718464,0,0,1.226041937,1.606295984,1.169793123,1.135513346,0.941335529,0.566236797,0.444612905,0,0,165.54322,145.3789619,159.3328839,158.9561984,162.9230918,179.136724,184.917652,0,0,1.834876543,2.303921569,1.772222222,1.806451613,1.681818182,1.181818182,1,0,0,0.034021616,2.45E-04,-0.007674848,-0.013650479,-0.01479181,0.013167381,0.005693895,0,0,484.264036,-53.80711511,2.10E-13,-147.9695666,-363.198027,201.7766817,121.066009,0,0,900.5096538,-100.0566282,1.35E-13,-275.1557275,-675.3822403,375.2123557,225.1274134,0,0,0.094864,-0.010540444,5.61E-16,-0.028986222,-0.071148,0.039526667,0.023716,0,0,4.025697139,-0.447299682,1.11E-15,-1.230074126,-3.019272855,1.677373808,1.006424285,0,0,21.86765075,-2.429738973,2.40E-14,-6.681782175,-16.40073807,9.111521147,5.466912688,0,0,3.211419753,-0.886402606,0.112139918,-0.117198217,-2.452417695,0.996656379,0.741512346,0,0,0.00189009,1.44E-05,-2.56E-04,-4.40E-04,-4.48E-04,3.99E-04,6.33E-04,0,0,26.90355756,-3.165124418,6.99E-15,-4.773211824,-11.00600082,6.114444899,13.45177878,0,0,50.0283141,-5.885684011,4.50E-15,-8.875991211,-20.46612849,11.37007139,25.01415705,0,0,0.005270222,-6.20E-04,1.87E-17,-9.35E-04,-0.002156,0.001197778,0.002635111,0,0,0.223649841,-0.026311746,3.70E-17,-0.039679811,-0.091493117,0.050829509,0.111824921,0,0,1.214869486,-0.142925822,7.99E-16,-0.21554136,-0.496992063,0.276106701,0.607434743,0,0,0.178412209,-0.05214133,0.003737997,-0.003780588,-0.074315688,0.030201708,0.082390261,0,0,0.007626523,-0.135352432,-0.23297202,-0.237150982,0.211107196,0.334722178,0,0,-0.117647059,2.60E-16,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.117647059,9.00E-17,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.117647059,3.55E-15,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.117647059,1.65E-16,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.117647059,6.58E-16,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.292252028,0.020951466,-0.021190185,-0.416539251,0.169280503,0.461797213,0,0,1.296598248,1.313658388,1.422936665,1.11930576,0.317143651,0.003801213,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.712638155,0.894521864,1.017454388,1.503866148,0.481237167,0,0,0,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,21.39334399,10.65685718,16.22976098,21.34025757,3.556709594,10.65691428,-0.07962963,0.200050037,0.033341673,-0.965512657,16.1013119,2.683551983,1.667340452,0,11.89,12.11007471,-0.179299839,0.044676237,5.374547771,7.685503879,5,17,16,16,4,1,1,0,0,1,13.118484,3.540555378,2.865081898,2.54719039,1.886949926,1.505228104,0.344109736,0.083923071,0.083923071,1.875841698,1.524168067,1.355045439,0.886289331,0.628155545,0.083923071,0.083923071,0.083923071,3.560860944,2.912206141,2.607820635,1.965600326,1.598567031,0.471800875,0.270913902,0.270913902,1.822394366,1.434128227,1.249691962,0.761335285,0.494736601,0.270913902,0.270913902,0.270913902,3.654148109,3.115970063,2.865056506,2.292469171,1.977444195,0.958553255,0.943918427,0.943918427,1.673556754,1.155751879,0.914278472,0.35373006,0.046732001,0.943918427,0.943918427,0.943918427,3.576033742,2.946779797,2.652048431,2.022602679,1.665721835,0.561964105,0.399277246,0.399277246,1.789077632,1.375576207,1.180401024,0.678418554,0.405290945,0.399277246,0.399277246,0.399277246,3.701951025,3.212402365,2.98380042,2.439582945,2.142927699,1.207644823,1.207644823,1.207644823,1.629890309,1.06500317,0.801509977,0.212776649,0.113509522,1.153230243,1.207644823,1.207644823,3.573923729,2.996587406,2.741671856,2.090246595,1.72662782,0.63283836,0.537313433,0.537313433,1.782690817,1.303003175,1.077246187,0.600742919,0.311645504,0.537313433,0.537313433,0.537313433,0,0,0,1,1,3,1,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.204124145,0,0,0,0.577350269,0.288675135,0,0.40824829,0.204124145,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.78445705,2.426685576,1.488581196,1.050476816,0.204124145,0,0,0,0.797409508,0.485337115,0.297716239,0.262619204,0.204124145,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.51E-16,4.19E-17,-21.5515951,3000004.229,500000.7049,8.948474554,29,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,2,3,0,1,0,0,0,0,0,0,0,0,3,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.606481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.533680556,0.870833333,0,0.316319444,0,0,0,0,0,0,0,0,6.369212963,0,1.190972222,0,2.138888889,0,0,0,0,1.467592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.467592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.243402778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.068287037,0,1.190972222,0,2.138888889,0,0,0,0,1.467592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.138888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.290277778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.162037037,0,1.190972222,0,2.138888889,0,0,0,0,1.467592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.16666667,1.861111111,0.316319444,2.162037037,0.069444444,1.190972222,3.717506944,0.309027778,0.162037037,1.016203704,0.309027778,0.162037037,1.016203704,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.74073,0.79012,5.73058,0.98984,0.16497,2.19415,0.36569,2.80805,0.6139,0.10232,0.10595,0.01766,0.10595,0.01766,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.94471679,2.932999307,3.26633264,3.03467014,2.075522223,16.52932501,35.00490222,52.79398752,58.79398752,54.62406252,37.35940001,0.220218789,0.46636733,0.703369798,0.783307287,0.727751731,0.497736104,3.251629167,2.225208211,1.236925695,0.903592361,1.135254862,2.094402779,0.220218789,0.46636733,0.703369798,0.783307287,0.727751731,0.497736104,6.73287657,16.01742989,18.23479853,18.5707402,15.7907902,5.963359945,23.69925001,14.79422358,13.73834653,13.15338403,11.76340903,9.39649167,6,3.2,3,6,2,5,2.12,0.911,0.908560296,3.301927249,1.889881575,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,2.685,5,4,1,0,0,0,0,0,0,21,1.945910149,2.197224577,2.079441542,1.098612289,0,0,0,0,0,0,3.401197382,1.380952381,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.51E-16,4.19E-17,-21.5515951,3000004.229,500000.7049,8.948474554,0,109.6959078,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,84.09390038,4.671883355,10.6758508,1.779308466,0,0,0,31,4,2.836,20,1.207254321,2.087894256,2.994009532,3.754097887,4.353688906,5.137695122,0,0,0,0,72.08442802,74.58635221,86.38803114,50.22202244,14.0558684,5.220227056,0,0,0,0,272.7884669,320.6826348,415.6711438,375.0427178,207.9791155,159.6988021,0,0,0,0,8.776681837,14.80397255,21.18725697,26.31457258,29.59676834,34.51741972,0,0,0,0,2.072854631,2.638182254,3.557813812,3.629258247,2.516654348,2.284285552,0,0,0,0,173.4091213,327.3441287,471.5197554,608.1337552,777.4607779,950.0505188,0,0,0,0,2.883876925,3.895968137,5.580912693,6.415667547,5.222160729,5.137695122,0,0,0,0,0.429979205,0.556174329,0.75476867,0.784674599,0.565319467,0.52609998,0,0,0,0,326.1674797,114.8107255,9.286464683,111.7370586,-39.33136677,-6.306498586,214.430421,154.1420923,15.59296327,0.744836948,0.262182087,0.021206596,0.255163052,-0.089817217,-0.014401537,142.8302196,50.27613776,4.06658503,48.93016507,-17.22338401,-2.761644352,0.161583694,0.250377291,3.803334264,2.637799435,437.9045383,0,1,0,331.4395198,18.20548049,6.920456827,451.7060732,21.25337793,7.672766407,502.4179544,22.41468167,7.949778902,1.250100046,1.234957549,298.5421029,211.0300752,100.2282118,1.414689838,2.978623459,2.105495763,3.71644438,3.50827823,6.06588521,0.729020566,4.940296951,4.006402727,1.850676024,13.19569226,5.840693673,6.457091274,3.735833651,7.516726975,6.93556092,1.76048664,1.398235453,6.54E-09,1.27E-38,4.78E-90,3.46E-163,4.83E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.414608809,3.999596806,0.151119013,4.251168508,1.719326116,0.223985173,1.469204051,0.759381755,0.131384971,0.087609311,0.009847887,4.61E-11,8.96E-41,3.37E-92,2.44E-165,3.40E-260,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.338398243,4.0000517,0.490595064,5.057830637,2.315739923,0.932533857,1.835061347,1.803003601,0.721085086,0.322438947,0.102622571,4.80E-10,9.34E-40,3.51E-91,2.54E-164,3.55E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.663237566,4.005655535,1.743998418,12.28758903,5.501768392,5.876064963,3.562823994,6.984288886,6.236291705,1.620348486,1.245802616,5.83E-09,1.13E-38,4.26E-90,3.08E-163,4.31E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.972550729,4.000641396,0.725843752,5.914172526,2.797858905,1.586322673,2.114955842,2.619092484,1.363187999,0.515305841,0.222909938,1.04E-09,2.03E-39,7.62E-91,5.52E-164,7.70E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.966123148,4.009544544,2.248643557,16.96733985,7.1939298,8.834819348,4.415296813,9.622946649,9.84565018,2.322189962,2.039195001,9.54E-09,1.86E-38,6.97E-90,5.05E-163,7.05E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.741265634,3.718978381,0.955176491,7.017236501,3.698020698,2.435167215,2.518001372,3.56375558,2.312286453,0.790697248,0.40367858,1.89E-09,3.67E-39,1.38E-90,9.99E-164,1.40E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.433759978,1.820119652,0.350484778,0.612693916,0.324768255,0.592676114,0.580623605,0.44441633,5.604364409,8.091258857,15.88610197,0.419040874,1.61771605,2.4336782,1.116151009,0.075558992,0.671287615,0.307870757,0.296550797,0.215144304,0.020654943,3.625388201,2.984573896,6.815206945,0.506931423,0.532350044,2.829962528,1.396660197,0.184750591,0.641515085,0.316604399,0.401525008,0.339667958,0.123487602,4.411373316,4.733367067,9.874966358,0.462272628,0.864680568,3.408918319,1.802773824,0.343678391,0.613625734,0.324510096,0.584065551,0.569516852,0.427322872,5.555370534,7.936654684,15.60410376,0.4204386,1.580905275,3.007024522,1.52127293,0.233421781,0.631499754,0.319479763,0.453665152,0.404004342,0.197121702,4.761719232,5.631508258,11.46101659,0.44724963,1.054791196,3.51155431,1.87440308,0.371793762,0.609882959,0.325544302,0.620056174,0.616058939,0.500098881,5.757751151,8.584533571,16.78945662,0.414824439,1.736213994,3.410976075,1.804372728,0.343456947,0.613616706,0.32459719,0.584820895,0.570598117,0.426772371,5.558805749,7.94591998,15.61859065,0.42042506,1.582191383 +UMLS0287,L,trans-3-methyl-2-pentene,CC/C(=C/C)/C,642661,Sandia values from independent api report ,Sandia,,C6H12,PubChem,,16.2,0,1.9266,3.71178756,34.6009,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1227.862111,1177.406502,667.997906,181.86336,18.289152,0,0,3399.790734,4147.41404,5288.145724,5689.27052,4786.472206,2495.854196,559.5073998,0,0,146.842108,144.889944,254.404924,283.650072,336.105416,327.276288,120.932352,0,0,25.74688067,32.32302034,43.78790813,48.57352389,46.09793578,29.36859629,8.003032287,0,0,3476.407621,2904.481805,5709.655628,6253.088698,7805.947576,8494.506045,3328.517736,0,0,38.55555556,45.55555556,63.66666667,76,82,60,18,0,0,48.76541633,51.7541979,34.10728086,29.43516255,13.91662304,3.78882,1.016064,0,0,161.8947969,207.370702,146.8929368,142.231763,99.71817095,51.99696242,31.08374443,0,0,6.992481333,7.2444972,7.066803444,7.0912518,7.002196167,6.818256,6.718464,0,0,1.226041937,1.616151017,1.216330781,1.214338097,0.960373662,0.611845756,0.444612905,0,0,165.54322,145.2240902,158.6015452,156.3272174,162.6239078,176.9688759,184.917652,0,0,1.835978836,2.277777778,1.768518519,1.9,1.708333333,1.25,1,0,0,0.037110145,-0.002774765,3.76E-04,-0.0144685,-0.026156235,0.012954923,0.011513843,0,0,564.9747087,-53.80711511,80.71067267,-228.6802392,-484.264036,161.4213453,242.132018,0,0,1050.594596,-100.0566282,150.0849423,-425.2406698,-900.5096538,300.1698846,450.2548269,0,0,0.110674667,-0.010540444,0.015810667,-0.044796889,-0.094864,0.031621333,0.047432,0,0,4.696646663,-0.447299682,0.670949523,-1.901023649,-4.025697139,1.341899046,2.01284857,0,0,25.51225921,-2.429738973,3.644608459,-10.32639063,-21.86765075,7.289216918,10.93382538,0,0,3.841269841,-1.526077098,1.034013605,-0.163265306,-3.224489796,0.489795918,1.469387755,0,0,0.00176715,-1.39E-04,1.04E-05,-3.62E-04,-5.45E-04,2.70E-04,6.40E-04,0,0,26.90355756,-2.690355756,2.24196313,-5.717005981,-10.08883408,3.362944694,13.45177878,0,0,50.0283141,-5.00283141,4.169026175,-10.63101675,-18.76061779,6.253539262,25.01415705,0,0,0.005270222,-5.27E-04,4.39E-04,-0.001119922,-0.001976333,6.59E-04,0.002635111,0,0,0.223649841,-0.022364984,0.018637487,-0.047525591,-0.08386869,0.02795623,0.111824921,0,0,1.214869486,-0.121486949,0.101239124,-0.258159766,-0.455576057,0.151858686,0.607434743,0,0,0.182917611,-0.076303855,0.0287226,-0.004081633,-0.067176871,0.010204082,0.081632653,0,0,-0.078509624,0.005905,-0.204686951,-0.308361843,0.152728559,0.361971564,0,0,-0.1,0.083333333,-0.2125,-0.375,0.125,0.5,0,0,-0.1,0.083333333,-0.2125,-0.375,0.125,0.5,0,0,-0.1,0.083333333,-0.2125,-0.375,0.125,0.5,0,0,-0.1,0.083333333,-0.2125,-0.375,0.125,0.5,0,0,-0.1,0.083333333,-0.2125,-0.375,0.125,0.5,0,0,-0.41714876,0.157024793,-0.02231405,-0.367252066,0.055785124,0.446280992,0,0,1.403678918,1.119851572,1.48976197,1.252160786,0.455274839,0.003576457,0,0,1.5,1.011904762,1.339285714,1.339285714,0.535714286,0,0,0,1.5,1.011904762,1.339285714,1.339285714,0.535714286,0,0,0,1.5,1.011904762,1.339285714,1.339285714,0.535714286,0,0,0,1.5,1.011904762,1.339285714,1.339285714,0.535714286,0,0,0,1.5,1.011904762,1.339285714,1.339285714,0.535714286,0,0,0,1.865702479,0.73117539,1.099173554,1.482438017,0.650826446,0,0,0,24.42244584,12.21122292,17.60768039,24.42244584,3.488920834,12.21123661,-5.33E-15,0.059818207,0.008545458,-1.971511645,20.89632952,2.985189932,2.127701466,24.42244584,12.21122292,17.60768039,24.42244584,3.488920834,12.21123661,-5.33E-15,0.059818207,0.008545458,-1.971511645,20.89632952,2.985189932,2.127701466,24.42244584,12.21122292,17.60768039,24.42244584,3.488920834,12.21123661,-5.33E-15,0.059818207,0.008545458,-1.971511645,20.89632952,2.985189932,2.127701466,24.42244584,12.21122292,17.60768039,24.42244584,3.488920834,12.21123661,-5.33E-15,0.059818207,0.008545458,-1.971511645,20.89632952,2.985189932,2.127701466,24.42244584,12.21122292,17.60768039,24.42244584,3.488920834,12.21123661,-5.33E-15,0.059818207,0.008545458,-1.971511645,20.89632952,2.985189932,2.127701466,24.42244584,12.21122292,17.60768039,24.42244584,3.488920834,12.21123661,-5.33E-15,0.059818207,0.008545458,-1.971511645,20.89632952,2.985189932,2.127701466,30.2409109,15.04545545,22.5305401,30.13376805,4.304824007,15.04545618,-0.15,0.167281769,0.023897396,-1.251652953,18.2665065,2.609500928,2.033548396,0,11.89,12.11009426,-0.153639344,0.068921171,5.616117035,8.314258932,6,20,19,19,5,1,1,0,0,1,15.304898,3.593181451,2.993114368,2.556846255,2.333552793,1.816996646,1.20692899,0.315375403,0.083923071,1.909216937,1.578239261,1.358666433,1.249629723,0.763821851,0.452883277,0.083923071,0.083923071,3.612157747,3.033256128,2.61678215,2.405454588,1.892620384,1.309358266,0.449217649,0.270913902,1.858375327,1.495433799,1.253791545,1.134540686,0.646758607,0.304463535,0.270913902,0.270913902,3.699546511,3.209866368,2.871584153,2.704236987,2.204803331,1.728440641,0.956864849,0.943918427,1.71778117,1.244931576,0.920423874,0.76031856,0.262911345,0.194534246,0.943918427,0.943918427,3.626346224,3.062871611,2.660534434,2.457539916,1.947313382,1.383296856,0.543509191,0.399277246,1.826779863,1.44203044,1.184853236,1.058262671,0.568986494,0.204835437,0.399277246,0.399277246,3.744496279,3.295191687,2.989445582,2.838982085,2.344137657,1.912521164,1.207644823,1.207644823,1.676784036,1.165221288,0.808568021,0.631337262,0.129021658,0.372529671,1.159497077,1.207644823,3.607241692,3.106837892,2.752290473,2.560542902,2.023895638,1.413755002,0.622799512,0.538461538,1.839855255,1.372000175,1.079930245,0.945158287,0.485098475,0.134551444,0.538461538,0.538461538,0,0,0,1,1,4,0,1,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.455341801,0,0.166666667,0,1.276142375,0.707106781,0.23570226,0.955341801,0.5,0.166666667,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,5.654700538,2.809401077,2.187392609,1.366025404,0.333333333,0,0,0,0.807814363,0.468233513,0.312484658,0.227670901,0.166666667,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,3,0,1,0,0,0,0,0,0,0,0,4,0,0,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.62962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.777083333,0.870833333,0,0.300694444,0,0,0,0,0,0,0,0,8.643518519,0,0,0,2.157407407,0,0.726851852,0,0,1.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.243402778,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.078703704,0,0,0,2.157407407,0,0.726851852,0,0,1.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.157407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.290277778,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.203703704,0,0,0,2.157407407,0,0.726851852,0,0,1.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13,1.857142857,0.300694444,2.203703704,0.041666667,0.726851852,4.439402778,0.606481481,0.203703704,1.601851852,0.606481481,0.203703704,1.601851852,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0.28571,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.46333,0.92333,7.55695,1.09362,0.15623,2.58371,0.3691,3.18073,0.59701,0.08529,0.23327,0.03332,0.23327,0.03332,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.911092835,2.819957899,3.105672184,2.896514212,2.269040294,19.28421252,40.13294954,59.21911587,65.21911587,60.82679845,47.64984618,0.209068641,0.435098981,0.642020516,0.707069159,0.659450111,0.516592968,3.474021589,2.481224587,1.572359524,1.286645239,1.495803211,2.123277129,0.209068641,0.435098981,0.642020516,0.707069159,0.659450111,0.516592968,6.73287657,15.92600679,17.88885756,18.17680757,15.6669119,8.13722489,27.64912502,17.29583807,16.76663476,16.07461626,14.81966843,11.05482492,7,3.06122449,2.666666667,7,2,5,2.23,1.0519,1.944161297,1.941967087,4.930998067,0,0,1.414213562,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.096,0.164,0.169,2.956,7,6,2,0,0,0,0,0,0,28,2.079441542,2.397895273,2.397895273,1.609437912,0,0,0,0,0,0,3.663561646,1.357142857,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,5,0.833333333,0,2,4,1,2,1.111111111,0.25,0,0,0,0,0,0,0,0.333333333,0.158730159,0.041666667,0,0,0,0,0,0,0,0.533730159,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,0,126.9918924,3.807354922,3.295836866,3.970291914,4.691347882,5.398162702,6.120297419,6.834108739,7.556427969,8.272059622,8.994296558,68.13282967,2.564949357,0,3.713572067,0,5.056245805,0,6.463029457,0,7.890956716,8.168486417,98.10955045,4.671883355,12.50524286,1.786463266,0,0,0,46,6,3.34,26,1.21392978,2.102946878,3.018046133,3.717845597,4.278004439,4.549546072,0,0,0,0,73.93298852,84.09308182,97.63248345,53.91948729,16.11311897,4.62262998,0,0,0,0,277.6846495,344.3025871,453.9960489,381.7288475,221.7231652,141.4169274,0,0,0,0,8.829851824,14.94161962,21.45621727,26.07721728,29.16509346,30.5659615,0,0,0,0,2.102697706,2.774125375,3.814708038,3.652133999,2.611720804,2.022786895,0,0,0,0,174.0791173,327.7368239,467.9071222,601.1534709,757.3473242,841.2913773,0,0,0,0,2.851264938,3.928696917,5.909515611,6.481325144,5.338897705,4.549546072,0,0,0,0,0.435895094,0.582745242,0.80636231,0.788329037,0.584046568,0.465873518,0,0,0,0,306.1249039,121.220101,8.92972266,71.70292533,-28.39310275,-4.282789009,234.4219786,149.6132038,13.21251167,0.810223282,0.320834231,0.02363437,0.189776718,-0.075148257,-0.011335293,115.6625079,45.80032764,3.373897729,27.09136063,-10.72770438,-1.618156875,0.143657642,0.221923887,4.43013381,3.712938109,377.8278293,0,1,0,389.4083328,19.73343186,7.302446999,529.815539,23.01772228,8.091733369,644.027565,25.37769818,8.635778317,1.552214313,1.526762986,353.9886318,239.133778,159.1408835,1.480295401,2.22437267,1.502654584,3.903908137,3.513343931,6.250256841,0.77900512,5.804133993,4.788733648,2.407107441,11.95770779,10.65220133,8.620789991,7.258709469,7.918510375,6.850529256,1.601408803,1.408394068,0.00195541,3.87E-25,1.48E-68,1.09E-133,1.54E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.487103938,4.77408223,0.13328955,5.348680081,1.427513038,0.603275457,0.770754089,0.947771941,0.181897355,0.028686558,0.009919482,1.38E-05,2.73E-27,1.04E-70,7.66E-136,1.09E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.572423127,4.775061389,0.475557993,5.907901574,2.678999556,1.989544221,1.60785962,1.970510754,0.84615895,0.162258107,0.103368278,1.44E-04,2.84E-26,1.08E-69,7.98E-135,1.13E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.478629223,4.787125094,2.224793691,11.27369501,9.864079698,8.041423827,6.689157609,7.350211366,6.195723152,1.438812649,1.254853791,0.001742235,3.45E-25,1.32E-68,9.69E-134,1.38E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.317460726,4.77633081,0.746699166,6.526304087,3.725602042,3.015486654,2.327173358,2.791397997,1.509092102,0.309609936,0.224529596,3.12E-04,6.17E-26,2.35E-69,1.73E-134,2.46E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.009331645,4.795497374,3.131083913,14.80755157,13.82390676,10.86645227,9.563209894,10.18339133,9.554928756,2.278725131,2.05401023,0.002851781,5.64E-25,2.15E-68,1.59E-133,2.25E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.293254707,4.178313065,1.035646883,7.39987021,4.688445801,3.91269531,3.409127413,4.062935949,2.490282516,0.529964227,0.408351122,5.67E-04,1.12E-25,4.28E-69,3.15E-134,4.48E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.080259607,2.142448321,0.580999059,0.530740028,0.369151704,0.480100922,0.466555839,0.389797718,5.803706987,9.633685414,19.27157776,0.349837597,1.336454479,2.218105173,1.401363224,0.226018824,0.576807319,0.3644176,0.251868062,0.199436394,0.058959366,3.845487221,3.926439007,8.474476589,0.411837378,0.510263822,2.555822262,1.700364168,0.36704212,0.552821959,0.367787175,0.330701113,0.293329424,0.155558794,4.623228551,5.908028286,12.12635898,0.3809137,0.779589331,3.058478409,2.124534733,0.57221384,0.531426201,0.36914873,0.473205166,0.458723824,0.378100871,5.755226983,9.463635466,18.93701849,0.350862396,1.310029862,2.708469662,1.831545893,0.429884318,0.544974694,0.368527725,0.370676001,0.34039684,0.213401341,4.969899872,6.912367975,14.01478917,0.370253628,0.924474182,3.148571383,2.198411035,0.608502518,0.5286843,0.369140558,0.50212744,0.491469343,0.427566808,5.955484936,10.17550634,20.34295691,0.346737287,1.42116359,3.063626836,2.126778543,0.572091826,0.531649166,0.369072377,0.474808347,0.459696067,0.378020658,5.762497205,9.485044309,18.97509495,0.351082316,1.312525072 +UMLS0288,L,"cis-3,4-dimethyl-2-pentene",C/C=C(/C)\C(C)C,643784, (cis) reported; [9] has RON of 96.2,"Sandia, UML",[1],C7H14,PubChem,,13.8,0,1.3468,1.81387024,21.7836,12.374344,0,0,12,4,8,0,4,0,0,0,0,0,0,0,0,0,585.184996,529.649067,415.695506,248.233273,78.738912,9.144576,0,0,0,1942.737562,2188.443636,2180.902434,1558.996044,874.9221648,279.7536999,0,0,0,83.909776,79.562604,126.568136,111.51082,83.016576,60.466176,0,0,0,14.71250324,17.27505448,19.38092053,14.80954481,9.348943289,4.001516144,0,0,0,1986.518641,1605.36345,2894.320101,2646.198302,2028.241198,1664.258868,0,0,0,24,28,34,27,18,9,0,0,0,48.76541633,48.14991518,23.09419478,15.51457956,6.561576,1.016064,0,0,0,161.8947969,198.9494215,121.1612463,97.43725273,72.9101804,31.08374443,0,0,0,6.992481333,7.232964,7.031563111,6.96942625,6.918048,6.718464,0,0,0,1.226041937,1.570459498,1.076717807,0.925596551,0.779078607,0.444612905,0,0,0,165.54322,145.9421318,160.7955612,165.3873939,169.0200999,184.917652,0,0,0,2,2.545454545,1.888888889,1.6875,1.5,1,0,0,0,0.031893696,-0.001085686,-0.017541671,-0.005558304,0.001594823,0.00664399,0,0,0,322.8426907,-53.80711511,-80.71067267,-67.25889389,-80.71067267,121.066009,0,0,0,600.3397692,-100.0566282,-150.0849423,-125.0707852,-150.0849423,225.1274134,0,0,0,0.063242667,-0.010540444,-0.015810667,-0.013175556,-0.015810667,0.023716,0,0,0,2.683798093,-0.447299682,-0.670949523,-0.559124603,-0.670949523,1.006424285,0,0,0,14.57843384,-2.429738973,-3.644608459,-3.037173716,-3.644608459,5.466912688,0,0,0,2.666666667,-0.444444444,-0.666666667,-0.555555556,-0.666666667,1,0,0,0,0.002657808,-9.87E-05,-9.75E-04,-3.47E-04,1.33E-04,7.38E-04,0,0,0,26.90355756,-4.891555919,-4.483926259,-4.203680868,-6.725889389,13.45177878,0,0,0,50.0283141,-9.096057109,-8.33805235,-7.816924078,-12.50707852,25.01415705,0,0,0,0.005270222,-9.58E-04,-8.78E-04,-8.23E-04,-0.001317556,0.002635111,0,0,0,0.223649841,-0.040663607,-0.037274974,-0.034945288,-0.05591246,0.111824921,0,0,0,1.214869486,-0.220885361,-0.202478248,-0.189823357,-0.303717372,0.607434743,0,0,0,0.222222222,-0.04040404,-0.037037037,-0.034722222,-0.055555556,0.111111111,0,0,0,-0.03713539,-0.36666956,-0.130706962,0.05000434,0.27775563,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,-0.181818182,-0.166666667,-0.15625,-0.25,0.5,0,0,0,1.262950796,1.46874977,1.194221328,0.546875344,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,1.5,1.145833333,1.03125,1.03125,0,0,0,0,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,8.385164807,4.192582404,6.810616392,8.385164807,2.096291202,4.223212742,1.78E-15,4.44E-16,1.11E-16,-14.14020248,12.1367622,3.03419055,0.998495618,0,11.89,12.11003668,-0.181285491,0.043200545,4.966579476,5.802081888,3,11,10,10,2,1,1,0,0,1,8.745656,3.390710197,2.584509236,1.837979866,0.786375036,0.083923071,0.083923071,0.083923071,0.083923071,1.789553149,1.376366662,0.827698544,0.270263698,0.083923071,0.083923071,0.083923071,0.083923071,3.416060273,2.64365993,1.91709112,0.918327447,0.270913902,0.270913902,0.270913902,0.270913902,1.728563216,1.272632769,0.70580992,0.104477258,0.270913902,0.270913902,0.270913902,0.270913902,3.530445574,2.895090214,2.24378896,1.436958256,0.943918427,0.943918427,0.943918427,0.943918427,1.553819833,0.94329689,0.304605346,0.471112772,0.943918427,0.943918427,0.943918427,0.943918427,3.434896943,2.686833051,1.974314718,1.01227312,0.399277246,0.399277246,0.399277246,0.399277246,1.690101937,1.204479793,0.624663305,0.008036186,0.399277246,0.399277246,0.399277246,0.399277246,3.58776046,3.011439194,2.389604742,1.655137903,1.207644823,1.207644823,1.207644823,1.207644823,1.501028367,0.832901232,0.164472647,0.685039239,1.207644823,1.207644823,1.207644823,1.207644823,3.45057003,2.722232483,2.020893764,1.08777252,0.5,0.5,0.5,0.5,1.661745534,1.152761705,0.562473031,0.095511473,0.5,0.5,0.5,0.5,0,0,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,3.154700538,1.488033872,0.666666667,0.333333333,0,0,0,0,0.788675135,0.496011291,0.333333333,0.333333333,0,0,0,0,6.167311215,11.55134741,10.90196078,11.04,7.194217964,92.11302036,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.50859,20.218,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,2,0,2,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.719444444,0,0,0,0.580555556,0,0.719444444,0,0,0,0,0,0,0,0,4,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0,0,0.290277778,0,0.359722222,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0,0,0.290277778,0,0.359722222,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,2,0.359722222,2,0.290277778,2,2.848,0,0,0,0,0,0,2,0.5,0,0,0.43333,0.7,0.41429,0.41429,0.7,0.01905,0.01905,0,0,0.71429,0,0,0.5,0,0,2.5,0.625,1.5,0.375,1,0.25,-0.5,-0.125,0,0,2.08333,0.52083,2.95465,0.87132,0.21783,1.25,0.3125,1.91421,0.66421,0.16605,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3,0,0,0,0,0,0,0.5,0.918295834,1.79248125,1.79248125,1.79248125,1.361654167,0.5,11.01955001,21.509775,21.509775,21.509775,16.33985,6,0.256152145,0.5,0.5,0.5,0.379823824,0.139471473,2.666666667,1.79248125,1.79248125,1.79248125,2.223308334,3.084962501,0.256152145,0.5,0.5,0.5,0.379823824,0.139471473,6.73287657,11.27796084,11.27796084,11.27796084,6.108035837,0.503912516,15.79950001,14.20150417,14.20150417,14.20150417,9.031579168,3,4,3,4,4,2,4,1.9,0.6292,0.333333333,2.828427125,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,1.71,2,1,0,0,0,0,0,0,0,10,1.609437912,1.609437912,1.098612289,0,0,0,0,0,0,0,2.708050201,1.4,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.666666667,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,0,75.1039385,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,56.06260026,4.671883355,6.871320344,1.717830086,0,0,0,10,1,2.31,10,1.188381171,2.062245338,2.938422719,3.670697796,3.646026781,0,0,0,0,0,66.44930993,55.19843878,47.31087227,22.34560089,3.704596555,0,0,0,0,0,257.9906488,273.1414937,296.3819246,254.5077621,113.3321646,0,0,0,0,0,8.625049279,14.56021285,20.52271109,25.331442,24.49569967,0,0,0,0,0,1.98329879,2.367551495,2.796948692,2.754820058,1.621070558,0,0,0,0,0,171.5963178,327.2299034,482.5371665,625.4097292,674.2147115,0,0,0,0,0,3.164635273,4.09043411,5.071786231,5.349166529,3.646026781,0,0,0,0,0,0.412255991,0.503417293,0.603332873,0.606836752,0.373353142,0,0,0,0,0,258.8943309,71.51781396,8.635737499,125.8575031,-34.76728696,-8.35341346,133.0368278,106.2851009,16.98915096,0.672886541,0.185880372,0.022444955,0.327113459,-0.090362888,-0.021711173,99.61006863,27.51661009,3.322615841,48.42390516,-13.37677742,-3.213991149,0.204931531,0.330482582,5.780219156,14.73760232,384.751834,0,1,0,208.6364847,14.44425438,5.93102952,289.0903564,17.00265733,6.612177978,270.4703091,16.44598155,6.467054672,1.312323395,1.301099595,117.7638262,91.24272082,32.93474833,1.290665437,3.575671051,2.770408929,2.815749575,3.213892777,4.79679996,0.492520222,3.410671468,2.085788716,1.608183373,5.264637423,4.643380967,4.168865527,2.138523067,0.00147281,0.032145606,6.66E-22,2.66E-63,2.05E-126,3.04E-211,8.715264E-318,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.286240655,2.081795326,0.132204854,2.051667988,1.18464682,0.198502683,0.056290728,1.04E-05,2.26E-04,4.69E-24,1.87E-65,1.44E-128,2.14E-213,6.1383E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.924003595,2.082062234,0.428591258,2.339914423,1.682438363,0.740527141,0.262880602,1.08E-04,0.002359306,4.88E-23,1.95E-64,1.50E-127,2.23E-212,6.3965E-319,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.219396053,2.085350299,1.5160943,4.937900881,4.357981998,3.830847752,1.933774118,0.001312248,0.028641156,5.93E-22,2.37E-63,1.82E-126,2.71E-211,7.765146E-318,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.361807859,2.082408239,0.633503851,2.646931385,2.085978461,1.192306794,0.469556879,2.35E-04,0.005124727,1.06E-22,4.24E-64,3.26E-127,4.85E-212,1.389406E-318,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.118878238,2.087632187,1.951112872,6.622047399,5.783717721,5.528207483,2.984357563,0.00214795,0.046881346,9.71E-22,3.88E-63,2.99E-126,4.44E-211,1.271039E-317,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.705339355,2.082772525,0.795120455,2.950052368,2.437863318,1.592232794,0.668699905,3.68E-04,0.008036402,1.66E-22,6.64E-64,5.12E-127,7.60E-212,2.178815E-318,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.350917566,1.021612637,0.265160236,0.646266527,0.280841005,0.623551537,0.476133436,0.333330053,3.63769044,3.295987999,7.570520962,0.46939979,1.433015026,1.570189906,0.556880221,0.057164366,0.718874238,0.254954412,0.278150001,0.141473247,0.015492035,2.184234492,0.996000316,3.230219769,0.578311357,0.435115283,1.880269466,0.741456977,0.139773574,0.680887001,0.268497908,0.398864546,0.250798688,0.092620649,2.761500017,1.760586989,4.716950785,0.521330502,0.742283882,2.331588938,1.010107183,0.260010844,0.647356645,0.28045235,0.613339715,0.465469244,0.320509274,3.601706965,3.224031964,7.438104699,0.471034968,1.399318233,2.018484747,0.823730375,0.176595898,0.668635676,0.27286583,0.45966369,0.309545471,0.147849174,3.018811021,2.164610732,5.477045492,0.502953514,0.917058336,2.411430343,1.05763314,0.281281606,0.642988921,0.282009552,0.656067209,0.510301167,0.375094197,3.75034509,3.526192396,7.993920527,0.464483382,1.541462573,2.329280635,1.008733155,0.259395883,0.647488289,0.280405416,0.612125813,0.464203757,0.31899497,3.597409673,3.215489638,7.422381741,0.471232434,1.39532454 +UMLS0289,L,cis-2-butene,C/C=C\C,5287573,Sandia values from independent api report ,Sandia,,C4H8,PubChem,,16.5,0,2.4635,6.06883225,35.1779,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1360.019144,1004.86882,654.025179,227.07216,27.433728,0,0,3399.790734,4147.41404,5596.926009,5834.184158,4203.865984,2345.012795,839.2610996,0,0,146.842108,144.889944,254.827808,306.15304,391.406124,188.583552,181.398528,0,0,25.74688067,32.32302034,45.46326382,51.90810247,42.40976794,24.04531372,12.00454843,0,0,3476.407621,2904.481805,5683.327436,6606.137202,9889.009713,4420.464727,4992.776605,0,0,39.5625,46,67,87.75,78.75,45,27,0,0,48.76541633,51.7541979,37.77830956,23.36904233,11.47412595,8.41008,1.016064,0,0,161.8947969,207.370702,155.4701669,135.6787013,73.7520348,86.85232572,31.08374443,0,0,6.992481333,7.2444972,7.078550222,7.11983814,6.866774105,6.984576,6.718464,0,0,1.226041937,1.616151017,1.262868439,1.207165174,0.744031016,0.890567175,0.444612905,0,0,165.54322,145.2240902,157.8702066,153.6310977,173.4913985,163.7209158,184.917652,0,0,1.883928571,2.3,1.861111111,2.040697674,1.381578947,1.666666667,1,0,0,0.041051557,-0.009102279,0.011367506,-0.038095306,0.009590678,-0.011735868,0.01744949,0,0,564.9747087,-53.80711511,161.4213453,-672.5889389,282.4873543,-363.198027,363.198027,0,0,1050.594596,-100.0566282,300.1698846,-1250.707852,525.297298,-675.3822403,675.3822403,0,0,0.110674667,-0.010540444,0.031621333,-0.131755556,0.055337333,-0.071148,0.071148,0,0,4.696646663,-0.447299682,1.341899046,-5.591246027,2.348323331,-3.019272855,3.019272855,0,0,25.51225921,-2.429738973,7.289216918,-30.37173716,12.75612961,-16.40073807,16.40073807,0,0,4.202380952,-2.073696145,3.370323129,-5.292375283,2.468537415,-2.965561224,2.391581633,0,0,0.001954836,-4.55E-04,3.16E-04,-8.86E-04,1.68E-04,-4.35E-04,6.46E-04,0,0,26.90355756,-2.690355756,4.483926259,-15.64160323,4.955918497,-13.45177878,13.45177878,0,0,50.0283141,-5.00283141,8.33805235,-29.08622913,9.215742071,-25.01415705,25.01415705,0,0,0.005270222,-5.27E-04,8.78E-04,-0.003064083,9.71E-04,-0.002635111,0.002635111,0,0,0.223649841,-0.022364984,0.037274974,-0.130028977,0.041198655,-0.111824921,0.111824921,0,0,1.214869486,-0.121486949,0.202478248,-0.706319469,0.223791747,-0.607434743,0.607434743,0,0,0.200113379,-0.103684807,0.093620087,-0.123078495,0.043307674,-0.109835601,0.088577098,0,0,-0.232814374,0.161529687,-0.453202889,0.086072437,-0.222352035,0.330604407,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.518130312,0.467835222,-0.615043811,0.216415685,-0.548866856,0.442634561,0,0,1.533769477,0.845365359,1.797547014,0.751687544,1.062051929,0.002790512,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.933427762,0.475094429,1.916134133,0.508796779,1.586402266,0,0,0,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,31.45936729,15.63325508,22.79933797,31.32161219,4.474516027,15.63325547,-0.192857143,0.083883607,0.011983372,-1.734827555,19.95665862,2.850951232,2.095493997,0,11.89,12.11009426,-0.149692077,0.07345474,5.452932561,8.75882233,6,20,19,19,5,1,1,0,0,1,15.304898,3.592945775,3.03536851,2.333552793,2.333552793,2.132703992,0.97217995,0.397438056,0.083923071,1.916965117,1.584690093,1.249629723,1.249629723,0.986966235,0.306322557,0.083923071,0.083923071,3.612810954,3.071842816,2.405454588,2.405454588,2.198575277,1.078967397,0.517752522,0.270913902,1.865607486,1.504944066,1.134540686,1.134540686,0.878632756,0.14710905,0.270913902,0.270913902,3.703490857,3.234624645,2.704236987,2.704236987,2.475319574,1.525610297,0.962613738,0.943918427,1.722261812,1.267372631,0.76031856,0.76031856,0.527660496,0.391309536,0.943918427,0.943918427,3.627621204,3.098879345,2.457539916,2.457539916,2.246497805,1.156767953,0.601546029,0.399277246,1.833579553,1.453807582,1.058262671,1.058262671,0.806917596,0.039898625,0.399277246,0.399277246,3.749679443,3.314543351,2.838982085,2.838982085,2.601220393,1.724326993,1.207644823,1.207644823,1.679990051,1.193129366,0.631337262,0.631337262,0.407435467,0.583009083,1.138354913,1.207644823,3.604957952,3.143819826,2.544530374,2.544530374,2.330046894,1.233221222,0.572688397,0.528301887,1.854445472,1.381862399,0.959624714,0.959624714,0.71290703,0.06448061,0.528301887,0.528301887,0,0,0,2,0,4,0,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.366025404,0.288675135,0,0,0.75,1,0.25,0.5,0.666666667,0.166666667,5.914213562,3.060660172,3.310660172,1,0.75,0,0,0,0.844887652,0.510110029,0.413832521,0.25,0.25,0,0,0,5.654700538,2.699358737,2.866025404,0.666666667,0.5,0,0,0,0.807814363,0.449893123,0.358253175,0.166666667,0.166666667,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,1,0,2,0,0,0,0,0,0,0,0,4,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.270833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.589236111,0,0,0.730208333,0.290277778,0,0.589236111,0,0,0,0,0,0,0,0,8.609375,0,0,0,4.270833333,0,0,0,0,0,0,0,0.369791667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.276388889,0,0,0.243402778,0.290277778,0,0.276388889,0,0,0,0,0,0,0,0,2.046875,0,0,0,2.083333333,0,0,0,0,0,0,0,0.369791667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.1875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.312847222,0,0,0.243402778,0.290277778,0,0.312847222,0,0,0,0,0,0,0,0,2.1875,0,0,0,2.1875,0,0,0,0,0,0,0,0.369791667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.25,1.892857143,0.312847222,2.1875,0.090277778,0.369791667,5.005682292,0.880208333,0.1875,1.760416667,0.880208333,0.1875,1.760416667,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0,0.14286,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.54167,0.93452,7.77542,1.23376,0.17625,2.5,0.35714,3.06066,0.56066,0.08009,0.35334,0.05048,0.35334,0.05048,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.926868018,2.485693612,2.485693612,2.371773735,1.744299818,19.28421252,40.46422837,52.19956586,52.19956586,49.80724844,36.63029617,0.209068641,0.438690521,0.565918483,0.565918483,0.539982316,0.397125173,3.474021589,2.465449405,1.90662381,1.90662381,2.020543688,2.648017605,0.209068641,0.438690521,0.565918483,0.565918483,0.539982316,0.397125173,6.73287657,14.49989563,16.10996786,15.06309406,13.69605553,8.465469549,27.64912502,19.78804626,18.802954,19.94215278,17.32016641,14.60111277,7,2.34375,6,7,2,5,2.23,1.0519,2.121320344,3.746748298,0,3.039342743,1,0,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.158,0.135,0.148,0.155,2.795,8,4,3,0,0,0,0,0,0,28,2.079441542,2.397895273,2.197224577,1.945910149,0,0,0,0,0,0,3.663561646,1.357142857,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,5,0.833333333,0,2,4,1,3,0.666666667,0.375,0,0,0,0,0,0,0,0.5,0.083333333,0.09375,0,0,0,0,0,0,0,0.677083333,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,0,126.9918924,3.807354922,3.36729583,3.970291914,4.812184355,5.433722004,6.285998095,6.91274282,7.767687277,8.395929104,9.25157828,69.19742968,2.564949357,0,3.80666249,0,5.198497031,0,6.650279049,0,8.123557835,8.386628821,98.10955045,4.671883355,12.44898539,1.778426484,0,0,0,46,4,3.69,28,1.214785895,2.114046262,3.031255483,3.589275718,4.280641801,4.364847604,0,0,0,0,74.13042413,93.12798254,75.00734057,43.33474744,34.56213967,4.434964516,0,0,0,0,278.219961,366.4454892,423.149602,274.302199,360.9347142,135.6758074,0,0,0,0,8.836543933,15.04956522,21.60880854,24.6823514,29.8466997,29.32507149,0,0,0,0,2.106022522,2.899990847,3.731578625,2.739527269,3.725445035,1.940667572,0,0,0,0,174.1729397,327.6255021,463.7728889,619.9433028,704.9541186,807.1373704,0,0,0,0,2.867866779,4.196254918,6.266343296,5.058933485,7.004712513,4.364847604,0,0,0,0,0.436557066,0.607269826,0.793892406,0.598407429,0.81316985,0.446960395,0,0,0,0,314.6640146,128.8986112,9.480774306,70.57077387,-28.90853204,-4.436318516,244.0932407,157.8071433,13.91709282,0.816811005,0.334597537,0.024610379,0.183188995,-0.075041333,-0.011515882,121.2195251,49.65622923,3.652324084,27.18631714,-11.13657222,-1.709024225,0.140165217,0.221003243,2.651134148,3.32917164,385.2347885,0,1,0,387.265146,19.67905348,7.289025519,527.878432,22.97560515,8.081859684,653.9363722,25.57217965,8.67984223,1.412227074,1.333894833,298.1741824,286.3987584,129.1336979,1.041115486,2.309034646,2.217846798,3.775817963,3.47890568,6.39381026,0.837879738,5.892294123,4.606662914,3.432132211,12.48297788,9.405166364,14.01614212,4.270275863,1.091148129,3.169423877,0.754400071,1.594075424,0.323801022,1.10E-16,7.20E-54,9.09E-113,2.22E-193,1.04E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0.494503565,4.590431371,0.138028916,7.011342032,0.487064831,1.238627732,0.162738463,0.132950807,0.114116877,0.010040745,0.0112334,0.002280557,7.74E-19,5.07E-56,6.40E-115,1.56E-195,7.33E-298,0,0,0,0,0,0,0,0,0,0,0,0,0,1.596307695,4.591516111,0.544417495,7.452778243,1.52128765,3.78625346,0.566648642,0.280061364,0.468438741,0.067514415,0.117012037,0.023765163,8.07E-18,5.28E-55,6.67E-114,1.63E-194,7.64E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,5.561845253,4.604880873,3.136364703,11.90905949,8.581092102,13.21249573,3.865094542,1.015338085,2.887099633,0.675412007,1.42029677,0.288500881,9.80E-17,6.41E-54,8.10E-113,1.97E-193,9.27E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,2.352661689,4.592922428,0.902373834,7.956362872,2.464673944,5.553093452,0.972940015,0.395442255,0.79163967,0.13501718,0.254150532,0.05162111,1.75E-17,1.15E-54,1.45E-113,3.53E-194,1.66E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,7.115797552,4.614156127,4.634075176,14.87924773,12.77212053,17.01599936,5.945018372,1.391311013,4.322927373,1.084801993,2.324788981,0.472233359,1.60E-16,1.05E-53,1.33E-112,3.23E-193,1.52E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,3.28911509,3.670487655,1.324006461,9.216300441,3.69010751,7.57148447,1.522854244,0.551607004,1.217814809,0.227717611,0.444933542,0.090373799,3.07E-17,2.01E-54,2.54E-113,6.18E-194,2.91E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,3.148721348,1.23486433,1.090214624,0.575234969,0.225595429,0.483770052,0.475315314,0.385294609,5.473800302,8.667292888,18.38011331,0.362852454,1.344379975,2.325311941,0.734361145,0.598012067,0.635733215,0.200772104,0.269907843,0.178667707,0.115928127,3.657685152,3.537340165,8.216201928,0.453599822,0.564503676,2.649416788,0.936071406,0.793498946,0.605029589,0.213764365,0.346200554,0.284268409,0.204108755,4.378987141,5.325124403,11.67202329,0.407544383,0.834577718,3.128070243,1.222739089,1.078029076,0.576195128,0.225230334,0.477590963,0.466822814,0.376729713,5.428838407,8.515112721,18.06721157,0.364292693,1.32114349,2.795222617,1.024643013,0.880635495,0.594664812,0.21798591,0.383836799,0.336820771,0.251397698,4.700501125,6.228014584,13.45074852,0.391997218,0.972055268,3.213445501,1.272754163,1.128364323,0.572341059,0.226687979,0.503412317,0.502239275,0.412731502,5.614563988,9.151993788,19.38148452,0.358511589,1.418383094,3.130893187,1.223577384,1.078513559,0.576275047,0.225212766,0.478484907,0.467632116,0.377068405,5.43298413,8.527245649,18.09189669,0.364412571,1.323185429 +UMLS0290,L,"cis-4,4-dimethyl-2-pentene",C/C=C\C(C)(C)C,5326157,Sandia values from independent api report ,Sandia,,C7H14,PubChem,,10.3,0,2.4635,6.06883225,35.1779,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1360.019144,1004.86882,654.025179,227.07216,27.433728,0,0,3399.790734,4147.41404,5596.926009,5834.184158,4203.865984,2345.012795,839.2610996,0,0,146.842108,144.889944,254.827808,306.15304,391.406124,188.583552,181.398528,0,0,25.74688067,32.32302034,45.46326382,51.90810247,42.40976794,24.04531372,12.00454843,0,0,3476.407621,2904.481805,5683.327436,6606.137202,9889.009713,4420.464727,4992.776605,0,0,39.5625,46,67,87.75,78.75,45,27,0,0,48.76541633,51.7541979,37.77830956,23.36904233,11.47412595,8.41008,1.016064,0,0,161.8947969,207.370702,155.4701669,135.6787013,73.7520348,86.85232572,31.08374443,0,0,6.992481333,7.2444972,7.078550222,7.11983814,6.866774105,6.984576,6.718464,0,0,1.226041937,1.616151017,1.262868439,1.207165174,0.744031016,0.890567175,0.444612905,0,0,165.54322,145.2240902,157.8702066,153.6310977,173.4913985,163.7209158,184.917652,0,0,1.883928571,2.3,1.861111111,2.040697674,1.381578947,1.666666667,1,0,0,0.041051557,-0.009102279,0.011367506,-0.038095306,0.009590678,-0.011735868,0.01744949,0,0,564.9747087,-53.80711511,161.4213453,-672.5889389,282.4873543,-363.198027,363.198027,0,0,1050.594596,-100.0566282,300.1698846,-1250.707852,525.297298,-675.3822403,675.3822403,0,0,0.110674667,-0.010540444,0.031621333,-0.131755556,0.055337333,-0.071148,0.071148,0,0,4.696646663,-0.447299682,1.341899046,-5.591246027,2.348323331,-3.019272855,3.019272855,0,0,25.51225921,-2.429738973,7.289216918,-30.37173716,12.75612961,-16.40073807,16.40073807,0,0,4.202380952,-2.073696145,3.370323129,-5.292375283,2.468537415,-2.965561224,2.391581633,0,0,0.001954836,-4.55E-04,3.16E-04,-8.86E-04,1.68E-04,-4.35E-04,6.46E-04,0,0,26.90355756,-2.690355756,4.483926259,-15.64160323,4.955918497,-13.45177878,13.45177878,0,0,50.0283141,-5.00283141,8.33805235,-29.08622913,9.215742071,-25.01415705,25.01415705,0,0,0.005270222,-5.27E-04,8.78E-04,-0.003064083,9.71E-04,-0.002635111,0.002635111,0,0,0.223649841,-0.022364984,0.037274974,-0.130028977,0.041198655,-0.111824921,0.111824921,0,0,1.214869486,-0.121486949,0.202478248,-0.706319469,0.223791747,-0.607434743,0.607434743,0,0,0.200113379,-0.103684807,0.093620087,-0.123078495,0.043307674,-0.109835601,0.088577098,0,0,-0.232814374,0.161529687,-0.453202889,0.086072437,-0.222352035,0.330604407,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.1,0.166666667,-0.581395349,0.184210526,-0.5,0.5,0,0,-0.518130312,0.467835222,-0.615043811,0.216415685,-0.548866856,0.442634561,0,0,1.533769477,0.845365359,1.797547014,0.751687544,1.062051929,0.002790512,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.5,0.952380952,1.744186047,0.563909774,1.428571429,0,0,0,1.933427762,0.475094429,1.916134133,0.508796779,1.586402266,0,0,0,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,24.33489356,12.16744678,17.81850921,24.33489356,3.476413366,12.16746107,1.78E-15,0.048067413,0.006866773,-2.124605568,20.60452825,2.943504036,2.117857609,31.45936729,15.63325508,22.79933797,31.32161219,4.474516027,15.63325547,-0.192857143,0.083883607,0.011983372,-1.734827555,19.95665862,2.850951232,2.095493997,0,11.89,12.11009426,-0.149692077,0.07345474,5.452932561,8.75882233,6,20,19,19,5,1,1,0,0,1,15.304898,3.592945775,3.03536851,2.333552793,2.333552793,2.132703992,0.97217995,0.397438056,0.083923071,1.916965117,1.584690093,1.249629723,1.249629723,0.986966235,0.306322557,0.083923071,0.083923071,3.612810954,3.071842816,2.405454588,2.405454588,2.198575277,1.078967397,0.517752522,0.270913902,1.865607486,1.504944066,1.134540686,1.134540686,0.878632756,0.14710905,0.270913902,0.270913902,3.703490857,3.234624645,2.704236987,2.704236987,2.475319574,1.525610297,0.962613738,0.943918427,1.722261812,1.267372631,0.76031856,0.76031856,0.527660496,0.391309536,0.943918427,0.943918427,3.627621204,3.098879345,2.457539916,2.457539916,2.246497805,1.156767953,0.601546029,0.399277246,1.833579553,1.453807582,1.058262671,1.058262671,0.806917596,0.039898625,0.399277246,0.399277246,3.749679443,3.314543351,2.838982085,2.838982085,2.601220393,1.724326993,1.207644823,1.207644823,1.679990051,1.193129366,0.631337262,0.631337262,0.407435467,0.583009083,1.138354913,1.207644823,3.604957952,3.143819826,2.544530374,2.544530374,2.330046894,1.233221222,0.572688397,0.528301887,1.854445472,1.381862399,0.959624714,0.959624714,0.71290703,0.06448061,0.528301887,0.528301887,0,0,0,2,0,4,0,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.366025404,0.288675135,0,0,0.75,1,0.25,0.5,0.666666667,0.166666667,5.914213562,3.060660172,3.310660172,1,0.75,0,0,0,0.844887652,0.510110029,0.413832521,0.25,0.25,0,0,0,5.654700538,2.699358737,2.866025404,0.666666667,0.5,0,0,0,0.807814363,0.449893123,0.358253175,0.166666667,0.166666667,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,1,0,2,0,0,0,0,0,0,0,0,4,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.270833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.589236111,0,0,0.730208333,0.290277778,0,0.589236111,0,0,0,0,0,0,0,0,8.609375,0,0,0,4.270833333,0,0,0,0,0,0,0,0.369791667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.276388889,0,0,0.243402778,0.290277778,0,0.276388889,0,0,0,0,0,0,0,0,2.046875,0,0,0,2.083333333,0,0,0,0,0,0,0,0.369791667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.1875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.312847222,0,0,0.243402778,0.290277778,0,0.312847222,0,0,0,0,0,0,0,0,2.1875,0,0,0,2.1875,0,0,0,0,0,0,0,0.369791667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.25,1.892857143,0.312847222,2.1875,0.090277778,0.369791667,5.005682292,0.880208333,0.1875,1.760416667,0.880208333,0.1875,1.760416667,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0,0.14286,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.54167,0.93452,7.77542,1.23376,0.17625,2.5,0.35714,3.06066,0.56066,0.08009,0.35334,0.05048,0.35334,0.05048,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.926868018,2.485693612,2.485693612,2.371773735,1.744299818,19.28421252,40.46422837,52.19956586,52.19956586,49.80724844,36.63029617,0.209068641,0.438690521,0.565918483,0.565918483,0.539982316,0.397125173,3.474021589,2.465449405,1.90662381,1.90662381,2.020543688,2.648017605,0.209068641,0.438690521,0.565918483,0.565918483,0.539982316,0.397125173,6.73287657,14.49989563,16.10996786,15.06309406,13.69605553,8.465469549,27.64912502,19.78804626,18.802954,19.94215278,17.32016641,14.60111277,7,2.34375,6,7,2,5,2.23,1.0519,2.121320344,3.746748298,0,3.039342743,1,0,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.158,0.135,0.148,0.155,2.795,8,4,3,0,0,0,0,0,0,28,2.079441542,2.397895273,2.197224577,1.945910149,0,0,0,0,0,0,3.663561646,1.357142857,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,5,0.833333333,0,2,4,1,3,0.666666667,0.375,0,0,0,0,0,0,0,0.5,0.083333333,0.09375,0,0,0,0,0,0,0,0.677083333,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,0,126.9918924,3.807354922,3.36729583,3.970291914,4.812184355,5.433722004,6.285998095,6.91274282,7.767687277,8.395929104,9.25157828,69.19742968,2.564949357,0,3.80666249,0,5.198497031,0,6.650279049,0,8.123557835,8.386628821,98.10955045,4.671883355,12.44898539,1.778426484,0,0,0,46,4,3.69,28,1.214600289,2.112618127,3.019006393,3.577110215,4.608808277,5.411015634,0,0,0,0,73.9721314,92.65433068,76.33644889,49.75321193,41.95067336,5.497938189,0,0,0,0,277.8340701,365.0428092,424.2424965,290.7068917,424.3476668,168.1946271,0,0,0,0,8.834723531,15.03685317,21.52034513,24.63226517,32.30538854,36.35371374,0,0,0,0,2.10383765,2.891036388,3.727942102,2.831723101,4.296865092,2.405807379,0,0,0,0,174.1756064,327.5861523,462.0915752,615.5120283,745.4127541,1000.592306,0,0,0,0,2.865931813,4.186544248,6.237739998,5.135491306,7.968987571,5.411015634,0,0,0,0,0.436131726,0.6054831,0.792732355,0.616219111,0.934302638,0.554088001,0,0,0,0,314.0003531,128.6267497,8.761661816,61.82804877,-25.32717201,-3.711007422,252.1723044,153.9539217,12.47266924,0.835488621,0.342248614,0.023312932,0.164511379,-0.067390255,-0.009874207,118.0102509,48.34158578,3.292881358,23.23673676,-9.51867058,-1.394701989,0.140165217,0.221003243,2.071295451,2.620245738,375.8284019,0,1,0,389.4208045,19.73374786,7.302524957,529.668241,23.01452239,8.090983418,642.4431632,25.34646254,8.628690743,1.526948746,1.281513845,352.9987907,348.9710535,118.9207105,1.011541751,2.968354201,2.934485104,3.958836889,3.465857944,6.786442381,0.958084402,5.736367686,4.629286135,1.553774754,14.20077836,6.742467923,11.17659287,3.23156339,9.70219151,8.297172352,1.968988012,4.436347064,4.12E-04,0.010454888,7.71E-23,1.10E-64,3.01E-128,1.60E-213,1.6284E-320,0,0,0,0,0,0,0,0,0,0,0,0,0.481419781,4.6209898,0.125446759,7.96640967,1.10332086,0.783849085,0.686270555,2.082568487,1.265149018,0.144073274,0.113297279,2.90E-06,7.36E-05,5.43E-25,7.73E-67,2.12E-130,1.12E-215,1.14E-322,0,0,0,0,0,0,0,0,0,0,0,0,1.55406668,4.621544307,0.408219644,8.443367541,1.775559104,2.631573054,1.105052013,2.76023856,2.121198524,0.47903577,0.536409522,3.02E-05,7.67E-04,5.66E-24,8.06E-66,2.21E-129,1.17E-214,1.196E-321,0,0,0,0,0,0,0,0,0,0,0,0,5.414663541,4.628375315,1.463227709,13.53765442,6.227848518,10.44354591,3.040094334,8.925237523,7.661726904,1.843987097,4.00920284,3.67E-04,0.009315117,6.87E-23,9.78E-65,2.68E-128,1.42E-213,1.451E-320,0,0,0,0,0,0,0,0,0,0,0,0,2.290405149,4.622263137,0.604941123,9.007017153,2.379204685,3.981231944,1.422452185,3.486032479,2.880866634,0.720123873,0.96324276,6.56E-05,0.001666742,1.23E-23,1.75E-65,4.80E-129,2.54E-214,2.594E-321,0,0,0,0,0,0,0,0,0,0,0,0,6.927493336,4.633115977,1.892556143,16.97560492,8.840207091,14.00065707,3.98096281,12.93143609,10.88264618,2.446889647,6.202365297,6.01E-04,0.015247471,1.12E-22,1.60E-64,4.39E-128,2.33E-213,2.375E-320,0,0,0,0,0,0,0,0,0,0,0,0,3.202077297,3.677536056,0.797610814,10.31359803,3.274965715,5.678720866,1.674576662,4.668278701,3.991178149,1.022244617,1.536075459,1.15E-04,0.002917989,2.15E-23,3.06E-65,8.41E-129,4.45E-214,4.545E-321,0,0,0,0,0,0,0,0,0,0,0,0,3.924725386,1.223241567,1.068542317,0.631339103,0.196773062,0.480067241,0.52709345,0.380066955,6.216509269,10.30170776,21.64816819,0.447008654,1.387227646,2.974765023,0.626888808,0.58544964,0.710458923,0.149718967,0.275806044,0.138633751,0.114092145,4.187103471,3.973433838,9.252311254,0.565688385,0.52853194,3.352056955,0.863742255,0.777318371,0.671335473,0.172986564,0.350198626,0.263019616,0.201128921,4.993117582,6.172331409,13.41602916,0.50700321,0.814347162,3.901206905,1.208477691,1.056582303,0.632669161,0.19598206,0.474331299,0.514462862,0.371606519,6.166266899,10.11332383,21.26087073,0.449003741,1.360400681,3.520232168,0.969316916,0.862842161,0.657693357,0.181099787,0.386217229,0.331162254,0.247821725,5.352391246,7.285992825,15.58259186,0.486540036,0.965201208,3.998355509,1.269463279,1.105985926,0.627310639,0.199168838,0.49824786,0.567624867,0.407170083,6.373804714,10.90189894,22.88942885,0.440965959,1.47304281,3.90490582,1.208819119,1.057054151,0.632805965,0.195894084,0.475230903,0.514738784,0.371938497,6.17077909,10.12580899,21.28622701,0.449208948,1.361908185 +UMLS0291,L,"4,4-Dimethyl-2-Pentene",C/C=C/C(C)(C)C,5326158,Sandia values from independent api report ,Sandia,,C7H14,PubChem,,14.4,0,1.4802,2.19099204,30.3189,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,924.178589,686.110827,453.118514,154.429632,18.289152,0,0,2914.106344,3494.423905,4233.124071,3907.204221,2814.464344,1656.593096,559.5073998,0,0,125.864664,123.114164,212.050868,238.877292,228.143432,145.87776,120.932352,0,0,22.06875486,27.30703172,35.7627251,35.52832815,27.38797691,17.36404786,8.003032287,0,0,2979.777961,2471.442353,4748.191412,5476.928195,5604.494673,3501.729441,3328.517736,0,0,33.77777778,39.33333333,55,61,49,33,18,0,0,48.76541633,50.97680359,30.80595297,20.17973021,13.73086406,7.353792,1.016064,0,0,161.8947969,205.5543474,141.1041357,114.9177712,85.28679831,78.88538554,31.08374443,0,0,6.992481333,7.242009647,7.068362267,7.025802706,6.913437333,6.94656,6.718464,0,0,1.226041937,1.606295984,1.192090837,1.044950828,0.829938694,0.826859422,0.444612905,0,0,165.54322,145.3789619,158.2730471,161.0861234,169.8331719,166.749021,184.917652,0,0,1.87654321,2.31372549,1.833333333,1.794117647,1.484848485,1.571428571,1,0,0,0.038739543,-0.005318411,-0.006860597,-0.014913254,0.001730692,-0.005514603,0.011506402,0,0,484.264036,-53.80711511,-40.35533633,-228.6802392,40.35533633,-201.7766817,242.132018,0,0,900.5096538,-100.0566282,-75.04247115,-425.2406698,75.04247115,-375.2123557,450.2548269,0,0,0.094864,-0.010540444,-0.007905333,-0.044796889,0.007905333,-0.039526667,0.047432,0,0,4.025697139,-0.447299682,-0.335474762,-1.901023649,0.335474762,-1.677373808,2.01284857,0,0,21.86765075,-2.429738973,-1.822304229,-10.32639063,1.822304229,-9.111521147,10.93382538,0,0,3.530864198,-1.235939643,0.843621399,-1.990397805,0.748971193,-1.711934156,1.580246914,0,0,0.002152197,-3.13E-04,-2.29E-04,-4.39E-04,5.24E-05,-2.63E-04,6.39E-04,0,0,26.90355756,-3.165124418,-1.345177878,-6.725889389,1.22288898,-9.608413413,13.45177878,0,0,50.0283141,-5.885684011,-2.501415705,-12.50707852,2.274014277,-17.86725503,25.01415705,0,0,0.005270222,-6.20E-04,-2.64E-04,-0.001317556,2.40E-04,-0.001882222,0.002635111,0,0,0.223649841,-0.026311746,-0.011182492,-0.05591246,0.010165902,-0.079874943,0.111824921,0,0,1.214869486,-0.142925822,-0.060743474,-0.303717372,0.05522134,-0.433881959,0.607434743,0,0,0.196159122,-0.072702332,0.028120713,-0.058541112,0.022696097,-0.081520674,0.087791495,0,0,-0.145362031,-0.106257271,-0.203803444,0.024368221,-0.122014924,0.297019547,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.117647059,-0.05,-0.25,0.045454545,-0.357142857,0.5,0,0,-0.370629371,0.143356643,-0.298436857,0.115702479,-0.415584416,0.447552448,0,0,1.427202771,1.144646009,1.403409204,0.873431703,0.847932943,0.002912317,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.5,1.133333333,1.25,0.772727273,1.214285714,0,0,0,1.762237762,0.82027972,1.384615385,0.68086459,1.375624376,0,0,0,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,19.4440882,9.722044102,14.85708131,19.4440882,3.240681367,9.722198702,0,0.010599774,0.001766629,-2.728153575,16.29072573,2.715120956,1.674357583,23.34439958,11.60275535,17.78940131,23.25180699,3.875301165,11.60277715,-0.138888889,0.120260574,0.020043429,-1.270856665,14.94631712,2.491052853,1.622678954,0,11.89,12.11007471,-0.154954146,0.067228264,5.295743165,7.50302765,5,17,16,16,4,1,1,0,0,1,13.118484,3.517606619,2.973446727,2.333552793,2.144218941,1.212755647,0.714238454,0.083923071,0.083923071,1.876614671,1.562795977,1.249629723,1.006105503,0.454457131,0.242677753,0.083923071,0.083923071,3.540212065,3.013827555,2.405454588,2.210649939,1.314575117,0.85296352,0.270913902,0.270913902,1.821017008,1.479346258,1.134540686,0.896768592,0.306288247,0.074238581,0.270913902,0.270913902,3.642387894,3.191621124,2.704236987,2.48977734,1.731762504,1.391492478,0.943918427,0.943918427,1.66333078,1.226940148,0.76031856,0.542581238,0.191473927,0.513929033,0.943918427,0.943918427,3.557013739,3.043627675,2.457539916,2.258979998,1.388112991,0.95125216,0.399277246,0.399277246,1.786115895,1.425528926,1.058262671,0.824386046,0.206853942,0.040284473,0.399277246,0.399277246,3.693794691,3.277571518,2.838982085,2.616800193,1.915254049,1.615628258,1.207644823,1.207644823,1.616067843,1.146660394,0.631337262,0.421299785,0.368828517,0.734374911,1.207644823,1.207644823,3.556782529,3.083747819,2.546278942,2.343749412,1.420038507,1.048111874,0.529411765,0.529411765,1.788931672,1.355414829,0.958043648,0.730094412,0.145135207,0.155381273,0.529411765,0.529411765,0,0,0,2,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.333333333,0,0,0,0.288675135,0.288675135,0,0.19245009,0.19245009,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.732050808,2.398717474,1.769800359,0.577350269,0.384900179,0,0,0,0.788675135,0.479743495,0.353960072,0.19245009,0.19245009,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,2,0,2,0,0,0,0,0,0,0,0,3,0,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.240740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.632638889,0,0,0.777083333,0.580555556,0,0.632638889,0,0,0,0,0,0,0,0,6.375,0,0,0,4.240740741,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.074074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.243402778,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.041666667,0,0,0,2.074074074,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.328472222,0,0,0.290277778,0.290277778,0,0.328472222,0,0,0,0,0,0,0,0,2.166666667,0,0,0,2.166666667,0,0.717592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.33333333,1.888888889,0.328472222,2.166666667,0.243402778,0.717592593,4.246384259,0.615740741,0.166666667,1.231481481,0.615740741,0.166666667,1.231481481,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.61349,0.76891,5.69868,1.0852,0.18087,2.19337,0.36556,2.77005,0.57668,0.09611,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.99107606,2.821888196,2.821888196,2.521052779,2.006349306,16.52932501,35.83936908,50.79398752,50.79398752,45.37895002,36.11428751,0.220218789,0.477484861,0.676723969,0.676723969,0.604579885,0.481147576,3.251629167,2.178848942,1.348036806,1.348036806,1.648872223,2.163575695,0.220218789,0.477484861,0.676723969,0.676723969,0.604579885,0.481147576,6.73287657,14.84279915,16.90146519,15.68011242,14.051801,8.440120483,23.69925001,16.64860504,15.1849632,16.39047709,13.9585639,10.54227292,6,3.2,5.333333333,6,2,5,2.12,0.911,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,2.48,5,3,2,0,0,0,0,0,0,21,1.945910149,2.079441542,1.945910149,1.609437912,0,0,0,0,0,0,3.401197382,1.380952381,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,109.6959078,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,84.09390038,4.671883355,10.67917749,1.779862916,0,0,0,32,3,3.278,20,1.207932081,2.101446871,2.955450015,3.629681744,4.251686237,4.549115303,0,0,0,0,72.28833972,74.95526042,65.1016191,52.92378505,31.2153722,4.622192292,0,0,0,0,273.323491,326.2038243,357.223804,321.1604956,335.0139307,141.4035375,0,0,0,0,8.782132118,14.92305792,20.81230465,25.13108952,29.53277086,30.5630674,0,0,0,0,2.076090313,2.687783255,3.201727136,3.091677599,3.512492338,2.02259537,0,0,0,0,173.4739133,327.5914642,472.5192606,613.5771856,709.1097009,841.2117207,0,0,0,0,2.886616339,4.05800834,5.439643333,5.511807832,6.676655011,4.549115303,0,0,0,0,0.430619445,0.566603473,0.684411441,0.670438034,0.769048374,0.465829407,0,0,0,0,289.1351709,107.0400957,9.194250263,72.55203892,-26.85933076,-4.777368621,216.583132,133.8994265,13.97161888,0.799406678,0.295946588,0.025420446,0.200593322,-0.074261213,-0.013208564,104.5764932,38.71503355,3.325442724,26.24114452,-9.7146764,-1.727913127,0.154365035,0.245231668,3.025575495,4.511640078,361.6872098,0,1,0,329.4851108,18.15172473,6.906827316,450.0022467,21.21325639,7.663107077,503.5226356,22.43931005,7.955601109,1.376420326,1.256583933,277.6847614,227.3994414,81.91444974,1.221132118,3.389936236,2.776060171,3.594909626,3.477341659,6.261707312,0.800716733,5.046785215,3.905192366,2.835147095,12.13764548,8.897299881,7.177807687,5.401501275,1.903443369,3.588733218,1.068381546,1.423037237,0.003419228,2.13E-24,2.55E-67,5.90E-132,2.63E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.42354672,3.89474594,0.163622477,4.760763986,1.091251426,0.565213127,0.184859085,0.785639089,0.161677509,0.034728806,0.010022578,2.41E-05,1.50E-26,1.80E-69,4.16E-134,1.85E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.367248261,3.895444091,0.577159444,5.320445308,2.089817304,1.844170665,0.73849885,1.002978877,0.613835228,0.148305775,0.104442908,2.51E-04,1.56E-25,1.87E-68,4.33E-133,1.93E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.763753867,3.904045475,2.624979524,11.35134014,8.208993334,6.747937744,4.901300755,1.831181641,3.291417389,0.970640364,1.267900565,0.003046471,1.89E-24,2.27E-67,5.26E-132,2.35E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.015069784,3.896349189,0.900167272,5.98556491,2.95191437,2.743161058,1.270337527,1.155390854,0.997678801,0.255196916,0.226863927,5.45E-04,3.39E-25,4.07E-68,9.41E-133,4.20E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.094722902,3.910014865,3.666235101,15.42900462,11.68471197,8.797866861,7.458850514,2.175345326,4.78892541,1.469401824,2.075366038,0.004986623,3.10E-24,3.72E-67,8.61E-132,3.84E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.757430781,3.323472222,1.273028969,7.150659325,3.74679331,3.694171263,1.952347827,1.431448017,1.503110546,0.398618982,0.398844383,9.58E-04,5.96E-25,7.15E-68,1.65E-132,7.38E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.407902073,1.312894787,0.527392859,0.64934811,0.250161457,0.536303088,0.481910227,0.377162042,5.24818972,6.963931421,14.57179117,0.474022164,1.395375357,2.52216201,0.802638999,0.188310325,0.717928289,0.22846956,0.299900595,0.188336552,0.047295967,3.513111334,2.650479949,6.544803992,0.576892434,0.535533115,2.87131544,1.007651737,0.323260974,0.683284043,0.239789869,0.384461242,0.292121782,0.140561832,4.20222815,4.147204696,9.284719293,0.524926064,0.817144855,3.385735617,1.300476765,0.519021685,0.650448294,0.249840209,0.529498918,0.473405768,0.365189631,5.205234068,6.83531635,14.32583949,0.475672441,1.368094316,3.028156929,1.097958656,0.383280294,0.671521643,0.243482428,0.426079775,0.344016526,0.198160841,4.509395879,4.906249906,10.6899727,0.507282464,0.968257142,3.477362392,1.351714732,0.553595274,0.646028986,0.251123351,0.557923226,0.50891359,0.415893325,5.382672398,7.373756247,15.35854896,0.469043479,1.482730141,3.389026423,1.301559672,0.51859865,0.650586721,0.249858612,0.530559789,0.474304982,0.364679782,5.209184745,6.843551735,14.34028556,0.475880082,1.369544553 +UMLS0292,L,cis-4-methyl-2-pentene,C/C=C\C(C)C,5326159,Sandia values from independent api report ,Sandia,,C6H12,PubChem,,15.2,0,0.9844,0.96904336,33.7614,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1106.796102,989.794349,713.373195,360.330937,93.979872,9.144576,0,3399.790734,4147.41404,5063.01831,4962.225875,4229.928687,2943.145141,1341.178331,279.7536999,0,146.842108,144.889944,254.381208,281.231348,273.267948,269.228836,183.793536,60.466176,0,25.74688067,32.32302034,42.78148384,43.55351118,39.08925549,30.38709287,16.01813686,4.001516144,0,3476.407621,2904.481805,5704.188715,6438.392411,6337.926246,6644.943464,4802.005979,1664.258868,0,37.27777778,44.16666667,63.33333333,68.91666667,63.5,55,33,9,0,48.76541633,51.7541979,30.74433617,24.74485872,18.29162038,9.239254795,3.480736,1.016064,0,161.8947969,207.370702,140.6393975,124.0556469,108.4597099,75.46526003,49.67327153,31.08374443,0,6.992481333,7.2444972,7.066144667,7.0307837,7.006870462,6.903303487,6.807168,6.718464,0,1.226041937,1.616151017,1.188374551,1.088837779,1.002288602,0.779156227,0.593264328,0.444612905,0,165.54322,145.2240902,158.4496865,160.9598103,162.5109294,170.3831657,177.8520733,184.917652,0,1.775132275,2.208333333,1.759259259,1.722916667,1.628205128,1.41025641,1.222222222,1,0,0.037832712,-0.001280327,-0.006869637,-0.014181709,-0.008703832,0.001567766,0.005676351,0.004875032,0,564.9747087,-53.80711511,-40.35533633,-107.6142302,-242.132018,-80.71067267,121.066009,121.066009,0,1050.594596,-100.0566282,-75.04247115,-200.1132564,-450.2548269,-150.0849423,225.1274134,225.1274134,0,0.110674667,-0.010540444,-0.007905333,-0.021080889,-0.047432,-0.015810667,0.023716,0.023716,0,4.696646663,-0.447299682,-0.335474762,-0.894599364,-2.01284857,-0.670949523,1.006424285,1.006424285,0,25.51225921,-2.429738973,-1.822304229,-4.859477945,-10.93382538,-3.644608459,5.466912688,5.466912688,0,3.415343915,-1.043713782,0.325018896,-0.551713278,-1.231670446,-0.207860922,0.346938776,0.655328798,0,0.001801558,-6.40E-05,-1.91E-04,-3.55E-04,-2.23E-04,4.02E-05,2.10E-04,5.42E-04,0,26.90355756,-2.690355756,-1.120981565,-2.690355756,-6.208513282,-2.069504427,4.483926259,13.45177878,0,50.0283141,-5.00283141,-2.084513087,-5.00283141,-11.54499556,-3.848331854,8.33805235,25.01415705,0,0.005270222,-5.27E-04,-2.20E-04,-5.27E-04,-0.001216205,-4.05E-04,8.78E-04,0.002635111,0,0.223649841,-0.022364984,-0.009318743,-0.022364984,-0.051611502,-0.017203834,0.037274974,0.111824921,0,1.214869486,-0.121486949,-0.050619562,-0.121486949,-0.280354497,-0.093451499,0.202478248,0.607434743,0,0.162635425,-0.052185689,0.009028303,-0.013792832,-0.031581293,-0.005329767,0.012849584,0.072814311,0,-0.035533874,-0.105921261,-0.19679787,-0.123879009,0.022313544,0.11669636,0.300667681,0,-0.1,-0.041666667,-0.1,-0.230769231,-0.076923077,0.166666667,0.5,0,-0.1,-0.041666667,-0.1,-0.230769231,-0.076923077,0.166666667,0.5,0,-0.1,-0.041666667,-0.1,-0.230769231,-0.076923077,0.166666667,0.5,0,-0.1,-0.041666667,-0.1,-0.230769231,-0.076923077,0.166666667,0.5,0,-0.1,-0.041666667,-0.1,-0.230769231,-0.076923077,0.166666667,0.5,0,-0.32087529,0.055512523,-0.084808288,-0.194184592,-0.032771257,0.079008521,0.44771495,0,1.363401009,1.25782492,1.402376769,1.13447618,0.652542851,0.43190628,1.72E-08,0,1.5,1.130952381,1.125,1.208791209,0.879120879,0.476190476,0,0,1.5,1.130952381,1.125,1.208791209,0.879120879,0.476190476,0,0,1.5,1.130952381,1.125,1.208791209,0.879120879,0.476190476,0,0,1.5,1.130952381,1.125,1.208791209,0.879120879,0.476190476,0,0,1.5,1.130952381,1.125,1.208791209,0.879120879,0.476190476,0,0,1.756777692,0.899173767,1.140685515,1.169933862,0.863373652,0.650658404,0,0,26.41970209,13.20985104,19.55389302,26.41970209,3.774243155,13.20985633,3.55E-15,0.036628586,0.005232655,-2.314848407,35.58156489,5.083080699,2.500279365,26.41970209,13.20985104,19.55389302,26.41970209,3.774243155,13.20985633,3.55E-15,0.036628586,0.005232655,-2.314848407,35.58156489,5.083080699,2.500279365,26.41970209,13.20985104,19.55389302,26.41970209,3.774243155,13.20985633,3.55E-15,0.036628586,0.005232655,-2.314848407,35.58156489,5.083080699,2.500279365,26.41970209,13.20985104,19.55389302,26.41970209,3.774243155,13.20985633,3.55E-15,0.036628586,0.005232655,-2.314848407,35.58156489,5.083080699,2.500279365,26.41970209,13.20985104,19.55389302,26.41970209,3.774243155,13.20985633,3.55E-15,0.036628586,0.005232655,-2.314848407,35.58156489,5.083080699,2.500279365,26.41970209,13.20985104,19.55389302,26.41970209,3.774243155,13.20985633,3.55E-15,0.036628586,0.005232655,-2.314848407,35.58156489,5.083080699,2.500279365,29.4983944,14.69046704,21.87336212,29.41449418,4.202070596,14.69046817,-0.117460317,0.020525102,0.002932157,-2.720274665,53.50867276,7.644096109,2.785890624,0,11.89,12.11009426,-0.159023426,0.062679567,5.292959687,7.999879809,6,20,19,19,5,1,1,0,0,1,15.304898,3.568329904,3.027197218,2.685970779,2.168776798,1.722586372,1.348478919,0.342940675,0.083923071,1.895402541,1.626737273,1.417132893,1.044949552,0.825380504,0.551139479,0.083923071,0.083923071,3.58815656,3.069401029,2.739164515,2.236075844,1.811693724,1.449480404,0.47120642,0.270913902,1.843215194,1.543462822,1.319046348,0.933089213,0.691378414,0.409503095,0.270913902,0.270913902,3.679148761,3.252846476,2.967780198,2.51893915,2.178402382,1.857297035,0.958552982,0.943918427,1.698069569,1.288884067,1.012101149,0.572516421,0.246345972,0.068460756,0.943918427,0.943918427,3.602965283,3.100409255,2.778124745,2.285033165,1.876096667,1.52201322,0.561630504,0.399277246,1.810706712,1.489555529,1.254953153,0.859194446,0.601843176,0.314356349,0.399277246,0.399277246,3.725749138,3.340345022,3.075021933,2.647884913,2.341105848,2.034463776,1.207644823,1.207644823,1.655497843,1.206791306,0.910839343,0.449502709,0.089621639,0.240307085,1.153244063,1.207644823,3.605872251,3.128734253,2.868193174,2.400524696,1.930696803,1.58783794,0.650923823,0.552631579,1.796708175,1.443594129,1.146958955,0.740815735,0.516954792,0.211961682,0.552631579,0.552631579,0,0,0,1,1,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.204124145,0,0,0,0.49279928,0.40824829,0.204124145,0.348461713,0.288675135,0.144337567,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.491563832,2.964690378,1.812278497,1.110263394,0.49279928,0.144337567,0,0,0.784509119,0.494115063,0.302046416,0.222052679,0.164266427,0.144337567,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,3,0,1,0,0,0,0,0,0,0,0,3,0,2,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.766203704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,1.067361111,0.870833333,0,0.288541667,0,0,0,0,0,0,0,0,6.518009259,0,2.382453704,0,2.263888889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.243402778,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.165833333,0,1.180231481,0,2.263888889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.290277778,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.182037037,0,1.202222222,0,2.263888889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.80952381,0.290277778,2.263888889,0.053819444,1.180231481,4.386185185,0.319768519,0.263888889,1.563796296,0.319768519,0.263888889,1.563796296,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.02186,0.86027,7.07892,1.05706,0.15101,2.75482,0.39355,3.30805,0.55324,0.07903,0.10595,0.01514,0.10595,0.01514,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.911092835,2.951143018,3.236857303,3.427333494,2.87783243,19.28421252,40.13294954,61.97400337,67.97400337,71.97400337,60.43448102,0.209068641,0.435098981,0.671887465,0.736936107,0.780301869,0.655196825,3.474021589,2.481224587,1.441174405,1.155460119,0.964983929,1.514484993,0.209068641,0.435098981,0.671887465,0.736936107,0.780301869,0.655196825,6.73287657,15.92600679,18.02106921,19.35589302,18.50098589,11.90697312,27.64912502,17.29583807,16.48502421,14.58757905,15.26259907,14.83973403,7,4.166666667,3.84,7,2,6,2.23,1.0519,0.766309432,4.112265279,1.650963624,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,3.184,6,5,3,1,0,0,0,0,0,28,2.079441542,2.302585093,2.302585093,1.945910149,1.098612289,0,0,0,0,0,3.713572067,1.428571429,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,0,126.9918924,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,98.10955045,4.671883355,12.66537523,1.809339318,0,0,0,50,5,3.3,24,1.212087155,2.098402288,2.95983428,3.721229941,4.386041304,5.716068101,7.151143818,0,0,0,73.60305,75.0571472,82.55127174,80.26228957,51.12761016,22.4092876,7.266019792,0,0,0,276.7544669,325.54485,394.0258577,436.5147791,376.8941285,302.8910726,222.2843268,0,0,0,8.815752322,14.89783941,20.87179367,26.14102672,30.44516306,39.00068508,48.0447023,0,0,0,2.096746037,2.680352157,3.387365045,3.92476946,3.745135371,3.542715391,3.179490826,0,0,0,173.8582554,327.4224029,471.9525075,600.0472023,734.3707243,1009.409971,1322.372724,0,0,0,2.77005594,3.874464801,5.257214819,6.216427967,6.570052529,7.212899825,7.151143818,0,0,0,0.434702162,0.564997965,0.719593432,0.839817791,0.814789761,0.791289419,0.732277127,0,0,0,355.191607,142.6059797,9.839110817,122.1151136,-49.02803184,-6.965652294,233.0764934,191.6340116,16.80476311,0.744157984,0.298772202,0.020613812,0.255842016,-0.102718084,-0.014593661,169.5353411,68.06679253,4.696273718,58.28636442,-23.4014091,-3.324752653,0.142332253,0.212437607,3.092004709,2.157923033,477.3067206,0,1,0,393.2871575,19.83146887,7.326613048,533.5156973,23.09795873,8.110526867,614.4362952,24.78782554,8.501435952,1.783221774,1.624699755,498.6033714,438.1775963,76.35039687,1.137902475,6.530462078,5.739034953,4.045451839,4.632443913,8.080482529,0.744323877,5.727809132,4.999408144,2.230907506,14.08437741,7.658817076,4.61549469,5.575427055,4.94618493,7.558535626,3.407955894,2.180200981,3.91197035,0.718572883,0.146884619,0.523224974,2.27E-08,1.90E-37,3.08E-88,9.60E-161,5.77E-255,0,0,0,0,0,0,0,0,0,0,0.480699415,4.990499708,0.182401043,5.249836181,1.157198401,0.318319696,0.771009085,0.911372623,1.929333453,0.024265363,0.145075274,0.347958128,0.01471485,0.001039138,0.003685116,1.60E-10,1.34E-39,2.17E-90,6.76E-163,4.06E-257,0,0,0,0,0,0,0,0,0,0,1.551746373,4.991095116,0.591991186,6.002850564,1.797766482,1.072665736,1.62689641,1.219968052,2.664403889,0.250799988,0.493223246,1.051567537,0.077541876,0.010792362,0.038401753,1.67E-09,1.40E-38,2.26E-89,7.04E-162,4.24E-256,0,0,0,0,0,0,0,0,0,0,5.406584835,4.998430121,2.102473393,13.17197042,7.017913674,4.308982501,5.237155052,4.516988164,7.067471122,3.036608332,2.031816066,3.685335604,0.646882773,0.13087473,0.466184032,2.03E-08,1.70E-37,2.74E-88,8.55E-161,5.14E-255,0,0,0,0,0,0,0,0,0,0,2.286986532,4.991866978,0.875701748,6.831628279,2.441347562,1.626962206,2.251490983,1.584722048,3.291922883,0.544124279,0.752188158,1.54166424,0.144675334,0.023431091,0.083413739,3.62E-09,3.04E-38,4.91E-89,1.53E-161,9.20E-256,0,0,0,0,0,0,0,0,0,0,6.917158119,5.003520568,2.709877032,17.88449134,10.30756473,5.799696732,6.878023869,6.742168671,9.543008044,4.969326053,2.756622077,4.760689413,1.01648273,0.214202353,0.763074452,3.32E-08,2.78E-37,4.49E-88,1.40E-160,8.42E-255,0,0,0,0,0,0,0,0,0,0,3.26142121,4.53900986,1.199305703,8.172040021,3.395051114,2.310160439,3.064417762,2.37388208,4.104407476,1.041751562,0.923446366,2.358030572,0.257802888,0.044877148,0.159793777,6.94E-09,5.82E-38,9.40E-89,2.93E-161,1.76E-255,0,0,0,0,0,0,0,0,0,0,5.705579296,1.30671845,0.376213774,0.772223104,0.176858146,0.55217653,0.529269616,0.476159496,7.388511519,10.09370873,20.28711429,0.658334655,1.557605642,4.384970001,0.699529421,0.081105758,0.848878272,0.135420613,0.326263562,0.151223593,0.022130256,5.16560518,3.479797704,8.894187944,0.773317409,0.49961741,4.909281151,0.940877191,0.198313083,0.811656501,0.155556194,0.408854531,0.274009442,0.132307906,6.048471425,5.779193596,12.74367923,0.717484751,0.815171879,5.672867192,1.291703698,0.368907731,0.773557473,0.176137924,0.545863681,0.51715565,0.457845109,7.333478621,9.896947575,19.93365792,0.66033621,1.52086444,5.143075774,1.048368263,0.250557212,0.798366156,0.162739531,0.44869632,0.340371474,0.211201443,6.442001249,6.943148369,14.73611337,0.697549234,1.000269237,5.80799692,1.353720865,0.399087044,0.768171782,0.179044546,0.572176949,0.568096727,0.535819264,7.560804829,10.72055539,21.41914484,0.652257673,1.676092941,5.679511616,1.292266282,0.368929452,0.773700864,0.176041112,0.547141638,0.517666453,0.457899027,7.34070735,9.91153556,19.95997899,0.660551295,1.522707118 +UMLS0293,L,trans-3-methyl-3-hexene,CC/C=C(\C)/CC,5352447, (trans) reported; [9] has RON of 96.2,"Sandia, UML",[1],C7H14,UML,,15,0,0.804,0.646416,33.3967,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1117.887126,871.776532,635.736027,469.204178,160.526016,18.289152,0,3399.790734,4147.41404,5146.671182,4830.349694,3644.358584,2795.267621,1843.095563,559.5073998,0,146.842108,144.889944,254.780376,301.363024,270.473772,188.630984,186.188544,120.932352,0,25.74688067,32.32302034,43.45041525,43.88092561,34.40673565,26.05816229,20.03172529,8.003032287,0,3476.407621,2904.481805,5672.393611,6987.678454,6560.491976,4431.398552,4611.235353,3328.517736,0,38.02777778,44.33333333,65,74.83333333,57.83333333,42,39,18,0,48.76541633,51.7541979,31.05242017,20.27387284,16.30092377,17.37793252,5.945408,1.016064,0,161.8947969,207.370702,142.9630884,112.3337138,93.44509189,103.5284304,68.26279863,31.08374443,0,6.992481333,7.2444972,7.077232667,7.008442419,6.935224923,6.986332741,6.895872,6.718464,0,1.226041937,1.616151017,1.206955979,1.020486642,0.882223991,0.965117122,0.741915752,0.444612905,0,165.54322,145.2240902,157.5664892,162.5041501,168.217743,164.1258723,170.7864946,184.917652,0,1.810846561,2.216666667,1.805555556,1.740310078,1.482905983,1.555555556,1.444444444,1,0,0.042529671,-0.006851201,-0.005671563,-0.01434514,-0.003010856,0.004794514,-0.006035058,0.009854468,0,564.9747087,-53.80711511,-80.71067267,-188.3249029,40.35533633,-121.066009,-121.066009,242.132018,0,1050.594596,-100.0566282,-150.0849423,-350.1981987,75.04247115,-225.1274134,-225.1274134,450.2548269,0,0.110674667,-0.010540444,-0.015810667,-0.036891556,0.007905333,-0.023716,-0.023716,0.047432,0,4.696646663,-0.447299682,-0.670949523,-1.565548888,0.335474762,-1.006424285,-1.006424285,2.01284857,0,25.51225921,-2.429738973,-3.644608459,-8.504086404,1.822304229,-5.466912688,-5.466912688,10.93382538,0,3.740740741,-1.382716049,0.898148148,-1.478395062,-0.518518519,0.472222222,-1.25,1.388888889,0,0.002025222,-3.43E-04,-1.58E-04,-3.34E-04,-7.72E-05,1.78E-04,-2.24E-04,5.47E-04,0,26.90355756,-2.690355756,-2.24196313,-4.379648904,1.034752214,-4.483926259,-4.483926259,13.45177878,0,50.0283141,-5.00283141,-4.169026175,-8.144144155,1.924165927,-8.33805235,-8.33805235,25.01415705,0,0.005270222,-5.27E-04,-4.39E-04,-8.58E-04,2.03E-04,-8.78E-04,-8.78E-04,0.002635111,0,0.223649841,-0.022364984,-0.018637487,-0.036408114,0.008601917,-0.037274974,-0.037274974,0.111824921,0,1.214869486,-0.121486949,-0.101239124,-0.197769451,0.046725749,-0.202478248,-0.202478248,0.607434743,0,0.178130511,-0.069135802,0.02494856,-0.034381281,-0.013295347,0.017489712,-0.046296296,0.077160494,0,-0.169146881,-0.07779067,-0.16472655,-0.03811998,0.08768153,-0.110368448,0.270326078,0,-0.1,-0.083333333,-0.162790698,0.038461538,-0.166666667,-0.166666667,0.5,0,-0.1,-0.083333333,-0.162790698,0.038461538,-0.166666667,-0.166666667,0.5,0,-0.1,-0.083333333,-0.162790698,0.038461538,-0.166666667,-0.166666667,0.5,0,-0.1,-0.083333333,-0.162790698,0.038461538,-0.166666667,-0.166666667,0.5,0,-0.1,-0.083333333,-0.162790698,0.038461538,-0.166666667,-0.166666667,0.5,0,-0.388118812,0.140057756,-0.193011743,-0.074638233,0.098184818,-0.25990099,0.433168317,0,1.475007325,1.106286643,1.386686453,1.069026338,0.713596817,0.743947962,1.56E-05,0,1.5,1.19047619,1.146179402,0.824175824,1.111111111,0.952380952,0,0,1.5,1.19047619,1.146179402,0.824175824,1.111111111,0.952380952,0,0,1.5,1.19047619,1.146179402,0.824175824,1.111111111,0.952380952,0,0,1.5,1.19047619,1.146179402,0.824175824,1.111111111,0.952380952,0,0,1.5,1.19047619,1.146179402,0.824175824,1.111111111,0.952380952,0,0,1.797029703,0.85189769,1.329725996,0.919649657,0.676567657,1.188118812,0,0,27.47211959,13.7360598,21.20907931,27.47211959,3.924588513,13.73606296,2.13E-14,0.057307808,0.00818683,-2.001522876,49.16486822,7.023552603,2.726625515,27.47211959,13.7360598,21.20907931,27.47211959,3.924588513,13.73606296,2.13E-14,0.057307808,0.00818683,-2.001522876,49.16486822,7.023552603,2.726625515,27.47211959,13.7360598,21.20907931,27.47211959,3.924588513,13.73606296,2.13E-14,0.057307808,0.00818683,-2.001522876,49.16486822,7.023552603,2.726625515,27.47211959,13.7360598,21.20907931,27.47211959,3.924588513,13.73606296,2.13E-14,0.057307808,0.00818683,-2.001522876,49.16486822,7.023552603,2.726625515,27.47211959,13.7360598,21.20907931,27.47211959,3.924588513,13.73606296,2.13E-14,0.057307808,0.00818683,-2.001522876,49.16486822,7.023552603,2.726625515,27.47211959,13.7360598,21.20907931,27.47211959,3.924588513,13.73606296,2.13E-14,0.057307808,0.00818683,-2.001522876,49.16486822,7.023552603,2.726625515,32.02595457,15.92269951,24.42083984,31.89698632,4.556712331,15.92269983,-0.180555556,4.09E-04,5.84E-05,-5.461769466,31.93627135,4.562324479,2.424619678,0,11.89,12.11009426,-0.154950483,0.067251423,5.211369367,7.659943879,6,20,19,19,5,1,1,0,0,1,15.304898,3.543531206,3.112599877,2.533860441,2.333552793,1.679926776,1.162837791,0.704774646,0.083923071,1.892939815,1.667247237,1.249629723,1.225356019,0.768053038,0.440344289,0.240051915,0.083923071,3.565508615,3.150713835,2.583635352,2.405454588,1.766799617,1.269690916,0.844681316,0.270913902,1.838701138,1.58857667,1.134540686,1.131940815,0.635055144,0.290000277,0.071272196,0.270913902,3.664830268,3.318028628,2.798783177,2.704236987,2.127057374,1.702702127,1.386395371,0.943918427,1.685193044,1.351217995,0.840678152,0.76031856,0.194156529,0.218324093,0.518635242,0.943918427,3.581841408,3.178805544,2.620168058,2.457539916,1.829778383,1.346550641,0.943701826,0.399277246,1.804687516,1.537907807,1.070984147,1.058262671,0.546224338,0.188893887,0.043515308,0.399277246,3.714820677,3.398793114,2.900235555,2.838982085,2.287862565,1.891182114,1.611398374,1.207644823,1.639243539,1.275766962,0.745036637,0.631337262,0.039515059,0.40108138,0.740057356,1.207644823,3.590533676,3.189082159,2.72162263,2.571572866,1.88216213,1.394030801,1.060068277,0.545454545,1.793199502,1.508869786,0.954744492,0.935209229,0.466995607,0.108411986,0.176539884,0.545454545,0,0,0,2,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.333333333,0,0,0,0.288675135,0.204124145,0.204124145,0.19245009,0.136082763,0.136082763,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,5.439157589,2.936722277,2.080417576,0.756685203,0.40824829,0.272165527,0,0,0.777022513,0.489453713,0.346736263,0.189171301,0.136082763,0.136082763,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,3,0,1,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.421296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.589236111,0,0,1.310763889,0.580555556,0,0.589236111,0,0,0,0,0,0,0,0,6.525,0,1.164861111,0,4.421296296,0,0.722175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.199074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.243402778,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.151666667,0,1.164861111,0,2.199074074,0,0.722175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.222222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.290277778,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.186666667,0,1.164861111,0,2.222222222,0,0.722175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.83333333,1.833333333,0.300694444,2.222222222,0.243402778,0.722175926,4.925150787,0.611157407,0.222222222,1.892592593,0.611157407,0.222222222,1.892592593,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.85911,0.83702,7.02591,1.1668,0.16669,2.75403,0.39343,3.27005,0.51602,0.07372,0.14395,0.02056,0.14395,0.02056,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.926868018,2.748063851,3.141619208,2.974487065,2.424986001,19.28421252,40.46422837,57.70934087,65.97400337,62.46422837,50.92470602,0.209068641,0.438690521,0.62565238,0.715253226,0.67720221,0.552097166,3.474021589,2.465449405,1.644253572,1.250698215,1.417830358,1.967331422,0.209068641,0.438690521,0.62565238,0.715253226,0.67720221,0.552097166,6.73287657,14.49989563,17.81640094,17.16616207,16.60258614,12.89259294,27.64912502,19.78804626,16.36808494,17.09381635,18.16164688,13.63034952,7,4.166666667,6,7,2,6,2.23,1.0519,0.814325285,3.639717277,1.889881575,0,2.381101578,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,2.979,6,4,3,2,0,0,0,0,0,28,2.079441542,2.197224577,2.197224577,1.945910149,1.609437912,0,0,0,0,0,3.713572067,1.428571429,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,0,126.9918924,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,98.10955045,4.671883355,12.67036528,1.810052182,0,0,0,52,4,3.742,24,1.45545484,2.20849225,2.813658597,3.450035241,4.71706468,5.624281846,6.561416824,0,0,0,90.41504444,70.03608646,64.08152936,70.07130752,95.33144344,36.35118053,6.666819424,0,0,0,337.0739552,323.1446399,333.8465761,367.1502782,530.3335809,405.8966695,203.9534037,0,0,0,10.59232167,15.65991711,19.75028873,24.0494014,33.06557406,38.8891502,44.08264272,0,0,0,2.543520043,2.720693034,2.972728594,3.332908732,4.820428277,4.348406329,2.917290594,0,0,0,208.3610603,345.6406991,455.1454203,571.2260617,766.0118164,952.2019081,1213.321793,0,0,0,3.328054806,4.01689436,5.009482763,5.426461676,7.658561044,8.386565132,6.561416824,0,0,0,0.526946141,0.575558455,0.635357081,0.715549142,1.033565047,0.956016641,0.671889083,0,0,0,341.918378,143.5080125,9.799545894,133.6253201,-56.08444977,-7.700326555,208.293058,199.5924623,17.49987245,0.719005171,0.30177671,0.020607036,0.280994829,-0.117937531,-0.016192679,162.5971299,68.24433096,4.660112294,63.54467886,-26.67060665,-3.661841766,0.136177449,0.209535732,2.178054923,2.319544904,475.5436981,0,1,0,310.6370008,17.62489718,6.772531933,433.5230127,20.82121545,7.568399564,593.5927209,24.36375835,8.40419632,2.101672742,1.945385262,518.2717882,468.2959302,67.62760059,1.10671854,7.663613431,6.924627314,4.034576093,4.716891353,8.348357235,0.76988542,5.361628677,3.215888738,4.61815115,15.44431901,9.82414726,8.708505123,4.429487331,4.02641345,6.652384077,4.114768984,2.101574834,2.359246948,1.568339303,2.555930439,5.72E-06,0.100303689,3.62E-19,2.51E-58,3.37E-119,8.72E-202,4.35E-306,0,0,0,0,0,0,0,0,0,0.449603798,3.156906108,0.270881826,3.642582368,1.084928862,0.372916958,1.151210787,0.81801007,0.51696453,0.099942705,0.064876053,0.99464487,0.011062347,0.081694191,4.03E-08,7.06E-04,2.55E-21,1.77E-60,2.37E-121,6.14E-204,3.06E-308,0,0,0,0,0,0,0,0,0,1.451604831,3.160899653,0.951324927,5.101990967,2.30075618,1.439645876,1.573475857,1.331130325,1.46574419,0.474450809,0.282894749,1.233462932,0.115149379,0.351229348,4.19E-07,0.007361723,2.65E-20,1.85E-59,2.47E-120,6.40E-203,3.19E-307,0,0,0,0,0,0,0,0,0,5.060688805,3.209431432,4.278810431,14.3858961,9.088187147,7.973655577,4.141448173,3.779839068,6.169377907,3.711556687,1.906944596,2.261653133,1.397373379,2.321144112,5.09E-06,0.089368781,3.22E-19,2.24E-58,3.00E-119,7.77E-202,3.88E-306,0,0,0,0,0,0,0,0,0,2.139639522,3.166030141,1.479868767,6.38577842,3.304044413,2.360389974,1.936657626,1.725469684,2.207193919,0.863669642,0.49126341,1.40919961,0.250079469,0.606184343,9.11E-07,0.015990647,5.76E-20,4.01E-59,5.37E-120,1.39E-202,6.93E-307,0,0,0,0,0,0,0,0,0,6.47613384,3.243029146,5.957694745,19.74460483,12.77724155,11.68428282,5.595140847,4.996318301,8.56268336,5.786429743,2.901620295,2.736550015,2.287221971,3.519836861,8.34E-06,0.146283504,5.27E-19,3.67E-58,4.92E-119,1.27E-201,6.34E-306,0,0,0,0,0,0,0,0,0,2.791623504,2.900476219,2.271611902,7.793039514,4.330680757,3.522667785,2.660205248,2.20769868,3.004547002,1.477722991,0.81211567,1.849168452,0.466676832,1.00692828,1.70E-06,0.02984242,1.08E-19,7.48E-59,1.00E-119,2.59E-202,1.29E-306,0,0,0,0,0,0,0,0,0,6.138993008,1.127677411,0.37555467,0.803299162,0.14755878,0.563160186,0.511131353,0.478867985,7.64222509,9.651835756,19.89395212,0.704948743,1.553159524,4.683729256,0.607838062,0.091259636,0.870124434,0.112921717,0.328088819,0.154601498,0.027207546,5.382826954,3.329855422,8.972493897,0.805186651,0.509897863,5.260817222,0.8132512,0.206118134,0.837684864,0.129494752,0.413624862,0.271368211,0.144031907,6.280186556,5.53034157,12.69237693,0.756527296,0.829024981,6.102885048,1.114722045,0.368681665,0.80446253,0.146939048,0.556550238,0.499800286,0.461767506,7.586288758,9.4640199,19.55845758,0.706693795,1.51811803,5.518464994,0.905329781,0.256381891,0.826095666,0.135524826,0.455071481,0.33395911,0.223928322,6.680176666,6.642975354,14.60404382,0.7391435,1.012958912,6.252057959,1.168255396,0.397033455,0.79976725,0.149443977,0.584114129,0.547427614,0.534132966,7.817346811,10.2501131,20.96739244,0.699650875,1.665674709,6.110734933,1.113145063,0.368597704,0.804840682,0.146611568,0.557981853,0.498426556,0.461500948,7.5924777,9.464840002,19.56456883,0.707261024,1.517909357 +UMLS0294,L,trans-2-methyl-3-hexene,CC/C=C/C(C)C,5352548,(trans) reported,"Sandia, UML",[1],C7H14,PubChem,,15.9,0,1.1794,1.39098436,34.0088,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1106.796102,1000.885373,716.421387,349.239913,90.93168,9.144576,0,3399.790734,4147.41404,5063.01831,5045.878747,4323.179921,2859.492269,1247.927098,279.7536999,0,146.842108,144.889944,254.381208,281.630516,293.42334,268.829668,163.638144,60.466176,0,25.74688067,32.32302034,42.78148384,44.22244258,40.4230942,29.71816146,14.68429815,4.001516144,0,3476.407621,2904.481805,5704.188715,6406.597306,6892.679202,6676.738568,4247.253023,1664.258868,0,37.27777778,44.41666667,62.33333333,68.16666667,67.5,55.5,30,9,0,48.76541633,51.7541979,30.74433617,25.02213432,17.05765207,8.954869564,3.78882,1.016064,0,161.8947969,207.370702,140.6393975,126.1469687,102.9328553,73.3203146,51.99696242,31.08374443,0,6.992481333,7.2444972,7.066144667,7.0407629,6.98627,6.89306841,6.818256,6.718464,0,1.226041937,1.616151017,1.188374551,1.105561065,0.962454624,0.76200414,0.611845756,0.444612905,0,165.54322,145.2240902,158.4496865,160.1649327,164.1114096,171.1984248,176.9688759,184.917652,0,1.775132275,2.220833333,1.731481481,1.704166667,1.607142857,1.423076923,1.25,1,0,0.03836888,1.22E-04,-0.011761872,-0.011985662,-0.003910726,-0.002690721,0.005419442,0.005622668,0,564.9747087,-53.80711511,-40.35533633,-147.9695666,-201.7766817,-40.35533633,80.71067267,121.066009,0,1050.594596,-100.0566282,-75.04247115,-275.1557275,-375.2123557,-75.04247115,150.0849423,225.1274134,0,0.110674667,-0.010540444,-0.007905333,-0.028986222,-0.039526667,-0.007905333,0.015810667,0.023716,0,4.696646663,-0.447299682,-0.335474762,-1.230074126,-1.677373808,-0.335474762,0.670949523,1.006424285,0,25.51225921,-2.429738973,-1.822304229,-6.681782175,-9.111521147,-1.822304229,3.644608459,5.466912688,0,3.415343915,-0.793713782,-0.040060469,-0.666792643,-0.648148148,-0.342781557,0.128495843,0.655328798,0,0.00182709,6.12E-06,-3.27E-04,-3.00E-04,-9.31E-05,-6.90E-05,2.26E-04,6.25E-04,0,26.90355756,-2.690355756,-1.120981565,-3.699239164,-4.804206706,-1.034752214,3.362944694,13.45177878,0,50.0283141,-5.00283141,-2.084513087,-6.878893188,-8.933627517,-1.924165927,6.253539262,25.01415705,0,0.005270222,-5.27E-04,-2.20E-04,-7.25E-04,-9.41E-04,-2.03E-04,6.59E-04,0.002635111,0,0.223649841,-0.022364984,-0.009318743,-0.030751853,-0.039937472,-0.008601917,0.02795623,0.111824921,0,1.214869486,-0.121486949,-0.050619562,-0.167044554,-0.21694098,-0.046725749,0.151858686,0.607434743,0,0.162635425,-0.039685689,-0.001112791,-0.016669816,-0.015432099,-0.008789271,0.005353993,0.072814311,0,0.003350402,-0.178819189,-0.163999381,-0.050962208,-0.037761059,0.123590058,0.341932296,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.244016266,-0.006842241,-0.102498064,-0.094887684,-0.054042781,0.032920217,0.44771495,0,1.32516709,1.350881334,1.265889889,0.971854765,0.82050289,0.473775272,0.004579473,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.683578621,0.919506842,1.085786212,1.068938807,0.957218614,0.731990705,0,0,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,31.42320092,15.6528703,24.86067594,31.3393007,4.477042957,15.65287074,-0.117460317,0.240277402,0.034325343,-0.998172827,24.32773304,3.475390435,2.234131884,0,11.89,12.11009426,-0.179294889,0.044702308,5.250774834,7.999880075,6,20,19,19,5,1,1,0,0,1,15.304898,3.561683453,3.072403693,2.598482448,2.231636571,1.723411963,1.331305785,0.343941434,0.083923071,1.896572142,1.632714106,1.376164746,1.134595428,0.729442284,0.589838218,0.083923071,0.083923071,3.582066101,3.111356374,2.655875999,2.301455032,1.802351717,1.439212277,0.471719429,0.270913902,1.843376942,1.553828189,1.273394177,1.020093548,0.602620753,0.445239909,0.270913902,0.270913902,3.675510626,3.28136032,2.901316268,2.594049455,2.13053669,1.871292848,0.958553221,0.943918427,1.694914841,1.314920003,0.948617343,0.64932689,0.192059624,0.050729835,0.943918427,0.943918427,3.597286032,3.140007744,2.697855533,2.35219223,1.859577374,1.516496681,0.561919687,0.399277246,1.810190084,1.502958636,1.205982083,0.944304394,0.518799341,0.347437272,0.399277246,0.399277246,3.723281997,3.362948585,3.01559518,2.727011039,2.278314611,2.056990427,1.207644823,1.207644823,1.651241268,1.238556136,0.840403099,0.52234351,0.050517284,0.231556412,1.153231984,1.207644823,3.603356098,3.171021977,2.807056218,2.410406457,1.952450765,1.576642281,0.650993015,0.552631579,1.808670209,1.437339154,1.084742326,0.861065488,0.41775703,0.24656313,0.552631579,0.552631579,0,0,0,1,1,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.204124145,0,0,0,0.49279928,0.40824829,0.204124145,0.348461713,0.288675135,0.144337567,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.491563832,2.926685576,1.885027805,1.137136847,0.538675135,0.144337567,0,0,0.784509119,0.487780929,0.314171301,0.227427369,0.179558378,0.144337567,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,3,0,1,0,0,0,0,0,0,0,0,3,0,2,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.672453704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.759305556,0.870833333,0,0.306319444,0,0,0,0,0,0,0,0,6.459814815,0,2.534398148,0,2.170138889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.225625,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.088287037,0,1.260416667,0,2.170138889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.170138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.290277778,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.201388889,0,1.273981481,0,2.170138889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.80952381,0.306319444,2.201388889,0.053819444,1.260416667,4.408032407,0.239583333,0.201388889,1.259907407,0.239583333,0.201388889,1.259907407,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.0332,0.86189,7.07892,1.04572,0.14939,2.69415,0.38488,3.30805,0.6139,0.0877,0.10595,0.01514,0.10595,0.01514,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.006330931,3.236857303,3.522571589,3.522571589,3.104255644,19.28421252,42.13294954,67.97400337,73.97400337,73.97400337,65.18936853,0.209068641,0.456781862,0.736936107,0.80198475,0.80198475,0.706746655,3.474021589,2.385986492,1.155460119,0.869745834,0.869745834,1.288061779,0.209068641,0.456781862,0.736936107,0.80198475,0.80198475,0.706746655,6.73287657,17.06886394,19.35589302,19.64384303,19.64384303,14.62405169,27.64912502,15.92879954,14.58757905,13.89556055,13.89556055,11.38566488,7,4.166666667,3.84,7,2,6,2.23,1.0519,0.766309432,4.112265279,1.650963624,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,3.184,6,5,3,1,0,0,0,0,0,28,2.079441542,2.302585093,2.197224577,1.791759469,1.098612289,0,0,0,0,0,3.663561646,1.357142857,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,0,126.9918924,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,98.10955045,4.671883355,12.66537523,1.809339318,0,0,0,50,5,3.405,24,1.211820196,2.097762324,2.969546675,3.730019133,4.525107853,5.543020375,6.814163195,0,0,0,73.57167662,75.27677688,84.66877825,73.82527213,47.55970847,23.26924074,6.923625912,0,0,0,276.6580858,325.9634741,403.801415,416.3557752,360.6714665,305.3243674,211.8097072,0,0,0,8.813762157,14.89376499,20.97244425,26.14561743,31.29278639,37.8753481,45.78071011,0,0,0,2.096092019,2.682163225,3.460028766,3.797811283,3.651248515,3.528247038,3.029664892,0,0,0,173.8229843,327.2992027,470.9975859,605.7089824,766.9123128,974.441076,1260.059058,0,0,0,2.786164609,3.804691093,5.223818442,6.206183983,6.71205336,7.133241195,6.814163195,0,0,0,0.434569419,0.565324178,0.734440195,0.814704829,0.797237809,0.786419671,0.697770311,0,0,0,361.8503435,146.4671991,9.788783436,119.2218377,-48.25776444,-7.2150437,242.6285059,194.7249636,17.00382714,0.752174741,0.304459923,0.020347848,0.247825259,-0.100312939,-0.01499784,174.076134,70.46129497,4.709111399,57.3543095,-23.215468,-3.47095681,0.140516967,0.217712569,1.6537343,1.513135438,481.0721812,0,1,0,393.6790374,19.84134666,7.329045705,533.9287334,23.10689796,8.112619325,613.4889444,24.76870898,8.497064474,1.628923451,1.628923451,481.8496908,391.5328528,106.2062084,1.230674993,4.536925836,3.686534514,4.170958531,4.529217033,7.101345155,0.567896858,5.73778773,4.941786462,2.439731415,16.44423721,7.258416217,6.085659722,4.263803936,9.006925383,9.362078388,0.051142248,3.098578032,1.879254448,1.276925855,1.25E-07,8.46E-36,1.10E-85,2.76E-157,1.34E-250,0,0,0,0,0,0,0,0,0,0,0,0,0.481536642,4.934875649,0.199729088,5.100227578,1.621708454,0.219301345,1.943307684,1.158296653,0.60420345,0.001415855,0.437911849,0.127751902,0.008993493,8.82E-10,5.96E-38,7.75E-88,1.95E-159,9.43E-253,0,0,0,0,0,0,0,0,0,0,0,0,1.554449548,4.935337573,0.6480581,6.070983895,2.279933834,0.89996022,2.31230469,2.27789377,1.581599007,0.006465104,0.739147201,0.432140805,0.093719133,9.20E-09,6.21E-37,8.08E-87,2.03E-158,9.83E-252,0,0,0,0,0,0,0,0,0,0,0,0,5.416003805,4.941027761,2.299450414,15.27402012,6.739165002,5.543702305,4.084717543,8.355754165,8.539279661,0.046293481,2.850130717,1.753233046,1.137717947,1.12E-07,7.54E-36,9.81E-86,2.46E-157,1.19E-250,0,0,0,0,0,0,0,0,0,0,0,0,2.290970623,4.935936364,0.958465461,7.136676006,2.877972892,1.520656828,2.596686995,3.189719006,2.493137369,0.011445838,1.017750059,0.656869674,0.203570481,2.00E-08,1.35E-36,1.76E-86,4.41E-158,2.13E-251,0,0,0,0,0,0,0,0,0,0,0,0,6.929208768,4.944976667,2.962705027,21.31719702,9.378733519,8.299866067,4.968921931,11.61171793,12.73399889,0.071143988,4.115617241,2.367196054,1.862276351,1.83E-07,1.23E-35,1.61E-85,4.03E-157,1.95E-250,0,0,0,0,0,0,0,0,0,0,0,0,3.269369457,4.587212853,1.300987227,8.616193189,4.048870418,2.40768314,2.936662097,4.306226522,3.926692625,0.019811287,1.560353718,1.028836779,0.389975278,3.83E-08,2.58E-36,3.36E-86,8.44E-158,4.09E-251,0,0,0,0,0,0,0,0,0,0,0,0,5.143600965,1.64951235,0.375380974,0.71752878,0.230105833,0.577114568,0.535863205,0.476162519,7.168494289,11.03443881,21.38782794,0.576293171,1.589140292,3.912763267,1.001459441,0.080926219,0.783312635,0.200486403,0.333662871,0.196985842,0.022130396,4.995148927,4.316163175,9.628419362,0.674968952,0.552779109,4.401561355,1.258895715,0.19787409,0.751333654,0.214889818,0.422393303,0.311678247,0.132308746,5.85833116,6.661164522,13.61593713,0.62700048,0.866380297,5.113124274,1.633473003,0.368091104,0.718671571,0.229591644,0.570284445,0.5254673,0.457848016,7.114688381,10.8355129,21.02455357,0.578007356,1.55359976,4.61946195,1.37362249,0.25000257,0.739932335,0.220022961,0.465323422,0.37125083,0.211202784,6.24308701,7.843683337,15.67313586,0.609898503,1.047777036,5.239016593,1.699726017,0.398203611,0.71405956,0.231666686,0.598761554,0.569068389,0.535822667,7.336946221,11.66792517,22.55083186,0.571089341,1.703652609,5.123014035,1.635709489,0.368112778,0.718834251,0.22951411,0.572471839,0.526860072,0.457901935,7.126836301,10.86773516,21.07926917,0.578251376,1.557233845 +UMLS0295,L,trans-3-methyl-2-hexene,CCC/C(=C/C)/C,5352660,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C7H14,UML,,12,0,1.1794,1.39098436,34.0088,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1106.796102,1000.885373,716.421387,349.239913,90.93168,9.144576,0,3399.790734,4147.41404,5063.01831,5045.878747,4323.179921,2859.492269,1247.927098,279.7536999,0,146.842108,144.889944,254.381208,281.630516,293.42334,268.829668,163.638144,60.466176,0,25.74688067,32.32302034,42.78148384,44.22244258,40.4230942,29.71816146,14.68429815,4.001516144,0,3476.407621,2904.481805,5704.188715,6406.597306,6892.679202,6676.738568,4247.253023,1664.258868,0,37.27777778,44.41666667,62.33333333,68.16666667,67.5,55.5,30,9,0,48.76541633,51.7541979,30.74433617,25.02213432,17.05765207,8.954869564,3.78882,1.016064,0,161.8947969,207.370702,140.6393975,126.1469687,102.9328553,73.3203146,51.99696242,31.08374443,0,6.992481333,7.2444972,7.066144667,7.0407629,6.98627,6.89306841,6.818256,6.718464,0,1.226041937,1.616151017,1.188374551,1.105561065,0.962454624,0.76200414,0.611845756,0.444612905,0,165.54322,145.2240902,158.4496865,160.1649327,164.1114096,171.1984248,176.9688759,184.917652,0,1.775132275,2.220833333,1.731481481,1.704166667,1.607142857,1.423076923,1.25,1,0,0.03836888,1.22E-04,-0.011761872,-0.011985662,-0.003910726,-0.002690721,0.005419442,0.005622668,0,564.9747087,-53.80711511,-40.35533633,-147.9695666,-201.7766817,-40.35533633,80.71067267,121.066009,0,1050.594596,-100.0566282,-75.04247115,-275.1557275,-375.2123557,-75.04247115,150.0849423,225.1274134,0,0.110674667,-0.010540444,-0.007905333,-0.028986222,-0.039526667,-0.007905333,0.015810667,0.023716,0,4.696646663,-0.447299682,-0.335474762,-1.230074126,-1.677373808,-0.335474762,0.670949523,1.006424285,0,25.51225921,-2.429738973,-1.822304229,-6.681782175,-9.111521147,-1.822304229,3.644608459,5.466912688,0,3.415343915,-0.793713782,-0.040060469,-0.666792643,-0.648148148,-0.342781557,0.128495843,0.655328798,0,0.00182709,6.12E-06,-3.27E-04,-3.00E-04,-9.31E-05,-6.90E-05,2.26E-04,6.25E-04,0,26.90355756,-2.690355756,-1.120981565,-3.699239164,-4.804206706,-1.034752214,3.362944694,13.45177878,0,50.0283141,-5.00283141,-2.084513087,-6.878893188,-8.933627517,-1.924165927,6.253539262,25.01415705,0,0.005270222,-5.27E-04,-2.20E-04,-7.25E-04,-9.41E-04,-2.03E-04,6.59E-04,0.002635111,0,0.223649841,-0.022364984,-0.009318743,-0.030751853,-0.039937472,-0.008601917,0.02795623,0.111824921,0,1.214869486,-0.121486949,-0.050619562,-0.167044554,-0.21694098,-0.046725749,0.151858686,0.607434743,0,0.162635425,-0.039685689,-0.001112791,-0.016669816,-0.015432099,-0.008789271,0.005353993,0.072814311,0,0.003350402,-0.178819189,-0.163999381,-0.050962208,-0.037761059,0.123590058,0.341932296,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.1,-0.041666667,-0.1375,-0.178571429,-0.038461538,0.125,0.5,0,-0.244016266,-0.006842241,-0.102498064,-0.094887684,-0.054042781,0.032920217,0.44771495,0,1.32516709,1.350881334,1.265889889,0.971854765,0.82050289,0.473775272,0.004579473,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.5,1.130952381,1.178571429,1.12244898,0.824175824,0.535714286,0,0,1.683578621,0.919506842,1.085786212,1.068938807,0.957218614,0.731990705,0,0,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,26.88877682,13.44438841,20.55753767,26.88877682,3.841253832,13.4443926,1.78E-15,0.156097111,0.022299587,-1.300093871,23.04312496,3.291874995,2.196157221,31.42320092,15.6528703,24.86067594,31.3393007,4.477042957,15.65287074,-0.117460317,0.240277402,0.034325343,-0.998172827,24.32773304,3.475390435,2.234131884,0,11.89,12.11009426,-0.179294889,0.044702308,5.250774834,7.999880075,6,20,19,19,5,1,1,0,0,1,15.304898,3.561683453,3.072403693,2.598482448,2.231636571,1.723411963,1.331305785,0.343941434,0.083923071,1.896572142,1.632714106,1.376164746,1.134595428,0.729442284,0.589838218,0.083923071,0.083923071,3.582066101,3.111356374,2.655875999,2.301455032,1.802351717,1.439212277,0.471719429,0.270913902,1.843376942,1.553828189,1.273394177,1.020093548,0.602620753,0.445239909,0.270913902,0.270913902,3.675510626,3.28136032,2.901316268,2.594049455,2.13053669,1.871292848,0.958553221,0.943918427,1.694914841,1.314920003,0.948617343,0.64932689,0.192059624,0.050729835,0.943918427,0.943918427,3.597286032,3.140007744,2.697855533,2.35219223,1.859577374,1.516496681,0.561919687,0.399277246,1.810190084,1.502958636,1.205982083,0.944304394,0.518799341,0.347437272,0.399277246,0.399277246,3.723281997,3.362948585,3.01559518,2.727011039,2.278314611,2.056990427,1.207644823,1.207644823,1.651241268,1.238556136,0.840403099,0.52234351,0.050517284,0.231556412,1.153231984,1.207644823,3.603356098,3.171021977,2.807056218,2.410406457,1.952450765,1.576642281,0.650993015,0.552631579,1.808670209,1.437339154,1.084742326,0.861065488,0.41775703,0.24656313,0.552631579,0.552631579,0,0,0,1,1,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.204124145,0,0,0,0.49279928,0.40824829,0.204124145,0.348461713,0.288675135,0.144337567,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.491563832,2.926685576,1.885027805,1.137136847,0.538675135,0.144337567,0,0,0.784509119,0.487780929,0.314171301,0.227427369,0.179558378,0.144337567,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,3,0,1,0,0,0,0,0,0,0,0,3,0,2,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.672453704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.759305556,0.870833333,0,0.306319444,0,0,0,0,0,0,0,0,6.459814815,0,2.534398148,0,2.170138889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.225625,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.088287037,0,1.260416667,0,2.170138889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.170138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.290277778,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.201388889,0,1.273981481,0,2.170138889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.80952381,0.306319444,2.201388889,0.053819444,1.260416667,4.408032407,0.239583333,0.201388889,1.259907407,0.239583333,0.201388889,1.259907407,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.0332,0.86189,7.07892,1.04572,0.14939,2.69415,0.38488,3.30805,0.6139,0.0877,0.10595,0.01514,0.10595,0.01514,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.006330931,3.236857303,3.522571589,3.522571589,3.104255644,19.28421252,42.13294954,67.97400337,73.97400337,73.97400337,65.18936853,0.209068641,0.456781862,0.736936107,0.80198475,0.80198475,0.706746655,3.474021589,2.385986492,1.155460119,0.869745834,0.869745834,1.288061779,0.209068641,0.456781862,0.736936107,0.80198475,0.80198475,0.706746655,6.73287657,17.06886394,19.35589302,19.64384303,19.64384303,14.62405169,27.64912502,15.92879954,14.58757905,13.89556055,13.89556055,11.38566488,7,4.166666667,3.84,7,2,6,2.23,1.0519,0.766309432,4.112265279,1.650963624,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,3.184,6,5,3,1,0,0,0,0,0,28,2.079441542,2.302585093,2.197224577,1.791759469,1.098612289,0,0,0,0,0,3.663561646,1.357142857,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,0,126.9918924,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,98.10955045,4.671883355,12.66537523,1.809339318,0,0,0,50,5,3.405,24,1.212209546,2.097853128,2.979580481,3.792608791,4.623408893,4.872031576,4.910473164,0,0,0,73.68238616,75.87250174,86.2936463,70.84635889,40.27621175,17.82364266,4.989355005,0,0,0,276.9504136,327.4303253,409.2092068,416.5117115,335.3057256,248.5368367,152.6358929,0,0,0,8.816872584,14.89673673,21.05335759,26.58989154,31.85923478,33.19588287,32.99083717,0,0,0,2.097869285,2.690416498,3.497067535,3.835741229,3.499143579,2.942596505,2.183259738,0,0,0,173.8614863,327.1602585,471.8532919,615.1635133,792.2844936,864.0200757,908.0331678,0,0,0,2.78936816,3.812841001,5.276829018,6.338948548,6.601278498,6.032731144,4.910473164,0,0,0,0.434921522,0.566925499,0.741941169,0.823872302,0.767902081,0.658608294,0.502832452,0,0,0,320.3272589,129.6597814,9.009199581,60.16127024,-24.35164953,-3.792211895,260.1659887,154.0114309,12.80141148,0.841884142,0.340771854,0.023677979,0.158115858,-0.064001008,-0.009966692,121.8808476,49.3340595,3.427897098,22.89067323,-9.265523314,-1.442893126,0.140516967,0.217712569,2.623593514,1.766465806,380.4885292,0,1,0,392.3601426,19.80808276,7.320852013,532.7628836,23.08165687,8.106710304,617.5762253,24.85108097,8.515892874,2.418801571,2.418801571,434.4637185,295.2921612,155.2984212,1.471301225,2.797605508,1.90144986,4.167027193,4.057296081,6.627848795,0.633563009,5.803797453,4.961461958,4.887838146,11.76565593,10.4939367,5.976165515,8.112561512,11.62174169,12.23355694,3.24258991,5.675350651,0.390376037,1.93E-06,1.84E-33,3.39E-82,1.20E-152,8.24E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0.487076946,4.940412888,0.298517853,3.590044944,2.191229129,0.353487791,2.196893389,1.556772516,0.69799142,0.104115844,0.124256786,0.00274945,1.36E-08,1.30E-35,2.39E-84,8.48E-155,5.81E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,1.57233295,4.941819553,1.037244139,4.31524331,3.114162025,1.14236965,3.074178861,2.873288549,2.326911609,0.44679498,0.633082649,0.028651392,1.42E-07,1.35E-34,2.49E-83,8.84E-154,6.05E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,5.478311633,4.959150999,4.53681907,10.93133004,9.712604165,5.505008272,7.633584641,10.74450613,11.27061701,2.94504982,5.114670355,0.347818021,1.72E-06,1.64E-33,3.02E-82,1.07E-152,7.35E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,2.317327174,4.943643255,1.603162262,5.09324901,3.976897857,1.790455341,3.774459515,3.996150763,3.660599897,0.770501085,1.167734558,0.062234653,3.08E-07,2.94E-34,5.41E-83,1.92E-153,1.31E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,7.00892494,4.971179203,6.267056396,15.23381763,13.69688346,7.864780624,10.01864205,15.16617024,16.09040011,4.463926354,8.002051823,0.569326762,2.82E-06,2.69E-33,4.95E-82,1.76E-152,1.20E-244,0,0,0,0,0,0,0,0,0,0,0,0,0,3.30461888,4.582334206,2.275246154,6.185153086,5.012111124,2.559375183,4.685911781,5.860663712,5.900279008,1.313143098,2.06807851,0.119221491,5.90E-07,5.63E-34,1.04E-82,3.68E-153,2.52E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,3.852563123,2.291001499,0.380991677,0.590471282,0.351135218,0.513788093,0.482734334,0.476036766,6.524556299,11.16687487,21.05415053,0.41240975,1.472559193,2.943105473,1.500990755,0.082135798,0.65023301,0.331620374,0.303153228,0.208588925,0.022124552,4.526232026,4.782593494,9.671666492,0.475349515,0.533866704,3.303202101,1.81586781,0.200831652,0.620914139,0.341334852,0.379877746,0.304659427,0.132273804,5.319901563,7.026249634,13.55077527,0.443373486,0.816810976,3.829940569,2.271550004,0.373592847,0.591488993,0.350814014,0.507867512,0.474674024,0.457727099,6.47508342,10.97937475,20.70467914,0.41345451,1.440268634,3.464199325,1.955734139,0.25373928,0.610574399,0.344703374,0.416999548,0.352980373,0.211147005,5.673672744,8.150302898,15.54307268,0.43291666,0.981126927,3.923420423,2.351866814,0.404155436,0.587387394,0.352105247,0.532559664,0.508376031,0.535681157,6.679442673,11.76355374,22.17228505,0.409238961,1.576616852,3.837454753,2.275562423,0.373614845,0.591594334,0.350808003,0.509888894,0.476380258,0.457781004,6.48663202,11.0162818,20.76545607,0.413603506,1.444050156 +UMLS0296,L,cis-3-methyl-2-hexene,CCC/C(=C\C)/C,5357248,Sandia values from independent api report ,Sandia,,C7H14,PubChem,,12.4,0,0.804,0.646416,33.3967,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1117.887126,1003.933565,705.330363,346.191721,90.93168,9.144576,0,3399.790734,4147.41404,5146.671182,5139.12998,4239.527049,2766.241036,1247.927098,279.7536999,0,146.842108,144.889944,254.780376,301.785908,293.024172,248.674276,163.638144,60.466176,0,25.74688067,32.32302034,43.45041525,45.5562813,39.7541628,28.38432275,14.68429815,4.001516144,0,3476.407621,2904.481805,5672.393611,6961.350263,6924.474307,6121.985612,4247.253023,1664.258868,0,38.02777778,44.66666667,63.33333333,73,68.5,52.5,30,9,0,48.76541633,51.7541979,31.05242017,23.34729221,16.79358007,9.616436694,3.78882,1.016064,0,161.8947969,207.370702,142.9630884,119.5146507,100.9411202,76.84002878,51.99696242,31.08374443,0,6.992481333,7.2444972,7.077232667,7.01827693,6.976766,6.907618778,6.818256,6.718464,0,1.226041937,1.616151017,1.206955979,1.059448402,0.946527686,0.78845341,0.611845756,0.444612905,0,165.54322,145.2240902,157.5664892,161.8918666,164.8684359,170.0551559,176.9688759,184.917652,0,1.810846561,2.233333333,1.759259259,1.697674419,1.630952381,1.458333333,1.25,1,0,0.043083303,-0.005748698,-0.011855041,-0.003534128,-0.008589674,-0.002963015,0.005525861,0.005623043,0,564.9747087,-53.80711511,-80.71067267,-107.6142302,-161.4213453,-80.71067267,80.71067267,121.066009,0,1050.594596,-100.0566282,-150.0849423,-200.1132564,-300.1698846,-150.0849423,150.0849423,225.1274134,0,0.110674667,-0.010540444,-0.015810667,-0.021080889,-0.031621333,-0.015810667,0.015810667,0.023716,0,4.696646663,-0.447299682,-0.670949523,-0.894599364,-1.341899046,-0.670949523,0.670949523,1.006424285,0,25.51225921,-2.429738973,-3.644608459,-4.859477945,-7.289216918,-3.644608459,3.644608459,5.466912688,0,3.740740741,-1.049382716,-0.12962963,-0.117283951,-0.925925926,-0.527777778,0.185185185,0.694444444,0,0.002051586,-2.87E-04,-3.29E-04,-8.22E-05,-2.05E-04,-8.23E-05,2.30E-04,6.25E-04,0,26.90355756,-2.690355756,-2.24196313,-2.502656517,-3.843365365,-2.24196313,3.362944694,13.45177878,0,50.0283141,-5.00283141,-4.169026175,-4.65379666,-7.146902014,-4.169026175,6.253539262,25.01415705,0,0.005270222,-5.27E-04,-4.39E-04,-4.90E-04,-7.53E-04,-4.39E-04,6.59E-04,0.002635111,0,0.223649841,-0.022364984,-0.018637487,-0.020804636,-0.031949977,-0.018637487,0.02795623,0.111824921,0,1.214869486,-0.121486949,-0.101239124,-0.113011115,-0.173552784,-0.101239124,0.151858686,0.607434743,0,0.178130511,-0.052469136,-0.003600823,-0.002727534,-0.022045855,-0.014660494,0.007716049,0.077160494,0,-0.140103774,-0.160513236,-0.040061214,-0.099686809,-0.040118213,0.112227426,0.304536398,0,-0.1,-0.083333333,-0.093023256,-0.142857143,-0.083333333,0.125,0.5,0,-0.1,-0.083333333,-0.093023256,-0.142857143,-0.083333333,0.125,0.5,0,-0.1,-0.083333333,-0.093023256,-0.142857143,-0.083333333,0.125,0.5,0,-0.1,-0.083333333,-0.093023256,-0.142857143,-0.083333333,0.125,0.5,0,-0.1,-0.083333333,-0.093023256,-0.142857143,-0.083333333,0.125,0.5,0,-0.294554455,-0.020214521,-0.015311996,-0.123762376,-0.08230198,0.043316832,0.433168317,0,1.447286256,1.200452584,1.144146491,1.160013484,0.827501684,0.420526451,0.004046772,0,1.5,1.19047619,1.096345515,1.071428571,0.892857143,0.535714286,0,0,1.5,1.19047619,1.096345515,1.071428571,0.892857143,0.535714286,0,0,1.5,1.19047619,1.096345515,1.071428571,0.892857143,0.535714286,0,0,1.5,1.19047619,1.096345515,1.071428571,0.892857143,0.535714286,0,0,1.5,1.19047619,1.096345515,1.071428571,0.892857143,0.535714286,0,0,1.707920792,0.969471947,1.003338706,1.135077793,0.946782178,0.668316832,0,0,26.81117176,13.40558588,20.12264621,26.81117176,3.830167394,13.40559025,0,0.051175182,0.00731074,-2.080750416,27.81951837,3.97421691,2.328016512,26.81117176,13.40558588,20.12264621,26.81117176,3.830167394,13.40559025,0,0.051175182,0.00731074,-2.080750416,27.81951837,3.97421691,2.328016512,26.81117176,13.40558588,20.12264621,26.81117176,3.830167394,13.40559025,0,0.051175182,0.00731074,-2.080750416,27.81951837,3.97421691,2.328016512,26.81117176,13.40558588,20.12264621,26.81117176,3.830167394,13.40559025,0,0.051175182,0.00731074,-2.080750416,27.81951837,3.97421691,2.328016512,26.81117176,13.40558588,20.12264621,26.81117176,3.830167394,13.40559025,0,0.051175182,0.00731074,-2.080750416,27.81951837,3.97421691,2.328016512,26.81117176,13.40558588,20.12264621,26.81117176,3.830167394,13.40559025,0,0.051175182,0.00731074,-2.080750416,27.81951837,3.97421691,2.328016512,33.08719349,16.45331897,25.18151966,32.95822524,4.708317891,16.45331916,-0.180555556,0.18489568,0.026413669,-1.181574453,105.4181935,15.05974194,3.260554665,0,11.89,12.11009426,-0.180970497,0.04348786,5.364311711,8.125129062,6,20,19,19,5,1,1,0,0,1,15.304898,3.549650129,3.072964235,2.668226018,2.170341214,1.765525666,1.136491938,0.70799815,0.083923071,1.901728157,1.614809531,1.41999359,1.044738502,0.83158461,0.429767362,0.241114104,0.083923071,3.571886326,3.109594882,2.723623996,2.23776688,1.851395137,1.244899136,0.847575223,0.270913902,1.847274582,1.536907995,1.320244588,0.933693253,0.701660397,0.27810482,0.072458632,0.270913902,3.672228095,3.271509747,2.960395295,2.520856036,2.20518755,1.684122765,1.388314256,0.943918427,1.692768716,1.303838654,1.006051423,0.574394797,0.270840158,0.235863561,0.516845429,0.943918427,3.588403904,3.136653806,2.764125936,2.286803276,1.913473427,1.322892629,0.946383141,0.399277246,1.813090879,1.486896145,1.254906611,0.86022244,0.614888989,0.176024218,0.042233881,0.399277246,3.722635822,3.350297194,3.070735819,2.649651239,2.362462837,1.875015439,1.613027838,1.207644823,1.646402622,1.230443023,0.90162349,0.451424504,0.119452597,0.421084545,0.737949263,1.207644823,3.589319815,3.182291439,2.839062126,2.394692793,1.962897998,1.381151919,1.059818578,0.545454545,1.827511554,1.403268279,1.163040986,0.748407288,0.530936279,0.092388722,0.174500258,0.545454545,0,0,0,2,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.23570226,0,0,0,0.49279928,0.40824829,0.204124145,0.371785024,0.272165527,0.136082763,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.439157589,2.936722277,1.911315598,1.164933494,0.464615617,0.136082763,0,0,0.777022513,0.489453713,0.3185526,0.232986699,0.154871872,0.136082763,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,4,2,0,2,0,0,0,0,0,0,0,0,3,0,1,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.327546296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.607013889,0,0,1.002708333,0.580555556,0,0.607013889,0,0,0,0,0,0,0,0,6.482962963,0,1.254305556,0,4.327546296,0,0.768518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.105324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.225625,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.061666667,0,1.254305556,0,2.105324074,0,0.768518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.222222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.318472222,0,0,0.290277778,0.290277778,0,0.318472222,0,0,0,0,0,0,0,0,2.222222222,0,1.254305556,0,2.222222222,0,0.768518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.83333333,1.833333333,0.318472222,2.222222222,0.225625,0.768518519,4.943548611,0.564814815,0.222222222,1.621018519,0.564814815,0.222222222,1.621018519,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.92346,0.84621,7.07892,1.15546,0.16507,2.73137,0.3902,3.30805,0.57668,0.08238,0.10595,0.01514,0.10595,0.01514,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.058053137,3.236857303,3.617809684,3.617809684,3.104255644,19.28421252,43.21911587,67.97400337,75.97400337,75.97400337,65.18936853,0.209068641,0.468557469,0.736936107,0.823667631,0.823667631,0.706746655,3.474021589,2.334264286,1.155460119,0.774507738,0.774507738,1.288061779,0.209068641,0.468557469,0.736936107,0.823667631,0.823667631,0.706746655,6.73287657,16.07411706,19.35589302,19.73982637,19.73982637,13.57717789,27.64912502,17.70101564,14.58757905,13.66772079,13.66772079,12.52486365,7,4.166666667,3.84,7,2,6,2.23,1.0519,0.766309432,4.112265279,1.650963624,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,2.979,6,5,3,1,0,0,0,0,0,28,2.079441542,2.197224577,2.197224577,1.945910149,1.098612289,0,0,0,0,0,3.663561646,1.357142857,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,0,126.9918924,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,98.10955045,4.671883355,12.66537523,1.809339318,0,0,0,50,5,3.847,24,1.213039055,2.110743855,2.943799703,3.676286036,4.534438117,5.715392427,7.233371665,0,0,0,73.79407948,75.57864894,78.60514609,74.37994753,53.70735555,24.67678981,7.349568547,0,0,0,277.2830912,330.6923167,379.1592963,409.728671,389.4900838,319.977643,224.8402762,0,0,0,8.823101986,15.0049,20.71882479,25.74637511,31.46447156,39.07777813,48.59714713,0,0,0,2.100081603,2.72500085,3.282961749,3.723261783,3.86302575,3.679215934,3.216050388,0,0,0,173.9682521,327.7715159,472.427757,598.9207394,760.1453789,1002.782715,1337.578104,0,0,0,2.795716384,3.878328807,5.158307856,6.246005051,6.980163886,7.416730854,7.233371665,0,0,0,0.435368659,0.574347049,0.698433166,0.798474775,0.840331413,0.819360352,0.740697258,0,0,0,355.7889023,150.3331263,9.950080283,107.9317718,-45.60490948,-6.725390544,247.8571305,195.9380358,16.67547083,0.767248307,0.324188967,0.021457056,0.232751693,-0.098345646,-0.014503107,164.9866696,69.71257868,4.614057937,50.05019398,-21.14793937,-3.118702637,0.135268726,0.214841992,1.87624815,1.371567658,463.7206741,0,1,0,391.3642354,19.78292788,7.314652719,531.7431071,23.05955566,8.101534573,609.9497314,24.69716039,8.480693118,1.744888195,1.468623321,494.0604383,444.3231163,77.91129375,1.111939533,6.34131991,5.702935927,4.062351416,4.531874652,7.800044778,0.721151924,5.792566674,4.756595832,2.484747825,17.2873212,8.300810728,7.572263351,6.509745546,5.787313748,6.02154838,2.779429677,1.904109492,1.259139717,3.319914752,0.154574913,0.035357695,9.33E-22,4.79E-63,4.78E-126,9.27E-211,3.4968385E-317,0,0,0,0,0,0,0,0,0,0,0.486136201,4.748237484,0.187058402,5.759304031,1.724644967,0.418026199,1.069365245,0.971290053,2.001722398,0.110586157,0.056063366,0.286713638,0.179107343,0.001089532,2.49E-04,6.57E-24,3.37E-65,3.36E-128,6.53E-213,2.46287E-319,0,0,0,0,0,0,0,0,0,0,1.56929179,4.748796131,0.617994032,6.591498885,2.270735676,1.492418219,2.030949838,1.612509972,2.54127464,0.437817746,0.24933205,0.484958955,0.643750375,0.011347104,0.002595055,6.84E-23,3.51E-64,3.51E-127,6.80E-212,2.566483E-318,0,0,0,0,0,0,0,0,0,0,5.467710802,4.755678202,2.330616395,16.04353341,7.616537495,6.997753183,6.124008872,5.371550969,5.676056119,2.539087863,1.725895565,1.199520904,3.065210108,0.137724049,0.03150307,8.31E-22,4.26E-63,4.26E-126,8.26E-211,3.1156205E-317,0,0,0,0,0,0,0,0,0,0,2.312844144,4.749520332,0.925122128,7.614366964,2.882031427,2.344548325,2.735262871,2.154184695,2.9950891,0.727042995,0.436625563,0.62112166,1.015108684,0.024645338,0.005636806,1.49E-22,7.63E-64,7.62E-127,1.48E-211,5.574745E-318,0,0,0,0,0,0,0,0,0,0,6.995361745,4.76045431,3.070719638,22.50342387,11.15419876,9.854438759,7.997769568,7.464002274,7.413613536,3.756686275,2.637846482,1.47998079,4.333852194,0.225430216,0.051565875,1.36E-21,6.98E-63,6.97E-126,1.35E-210,5.0998103E-317,0,0,0,0,0,0,0,0,0,0,3.257357733,4.125644359,1.31609502,9.013535244,4.138456537,3.316726946,3.748637744,2.760777898,3.624209147,1.154166491,0.731568875,0.866387586,1.590388725,0.045992514,0.010519645,2.77E-22,1.42E-63,1.42E-126,2.76E-211,1.0403817E-317,0,0,0,0,0,0,0,0,0,0,5.565567063,1.208847119,0.490197702,0.766120359,0.166402161,0.509509485,0.44486505,0.347031347,7.264611884,10.04872197,20.61134464,0.649180538,1.301405883,4.395190641,0.652021237,0.144264991,0.846616628,0.125594557,0.318030945,0.128817132,0.030565636,5.191476869,3.593893615,9.198798984,0.769924942,0.477413713,4.859831424,0.872502887,0.282524495,0.80797099,0.145057917,0.388648382,0.230811298,0.116540996,6.014858805,5.8597418,13.07256576,0.711956485,0.736000676,5.536573871,1.195006912,0.48170612,0.76755215,0.165667459,0.50422091,0.43465286,0.335262874,7.213286902,9.858887701,20.25925985,0.651328225,1.274136643,5.067029126,0.971111395,0.343733503,0.793971976,0.152167121,0.422430392,0.28621189,0.171968341,6.381874024,6.996160915,15.06942711,0.690957963,0.880610623,5.656341987,1.252188752,0.51676596,0.761766461,0.168638211,0.52624675,0.477627872,0.385129805,7.425296699,10.65290133,21.73835201,0.642649691,1.389004428,5.547778307,1.195456347,0.481536166,0.767882947,0.165466335,0.506261425,0.43499832,0.335118609,7.22477082,9.879238151,20.29761788,0.65182442,1.276378355 +UMLS0297,L,trans-4-methyl-2-hexene,CCC(C)/C=C/C,5357249, (trans) reported,"Sandia, UML",[1],C7H14,PubChem,,13.8,0,1.5426,2.37961476,35.1843,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1117.887126,893.95858,641.832411,447.02213,154.429632,18.289152,0,3399.790734,4147.41404,5146.671182,4997.655438,3830.86105,2627.961878,1656.593096,559.5073998,0,146.842108,144.889944,254.780376,302.16136,310.784556,187.832648,145.87776,120.932352,0,25.74688067,32.32302034,43.45041525,45.21878842,37.07441308,24.72029948,17.36404786,8.003032287,0,3476.407621,2904.481805,5672.393611,6924.088246,7669.997889,4494.988761,3501.729441,3328.517736,0,38.02777778,44.66666667,63.33333333,73.5,65.5,43,33,18,0,48.76541633,51.7541979,31.05242017,20.78973442,14.26294247,16.55637519,7.353792,1.016064,0,161.8947969,207.370702,142.9630884,116.2245451,85.13024557,97.33192139,78.88538554,31.08374443,0,6.992481333,7.2444972,7.077232667,7.027008372,6.906323467,6.956764741,6.94656,6.718464,0,1.226041937,1.616151017,1.206955979,1.051599731,0.823875846,0.915566648,0.826859422,0.444612905,0,165.54322,145.2240902,157.5664892,161.025308,170.4443975,166.4810652,166.749021,184.917652,0,1.810846561,2.233333333,1.759259259,1.709302326,1.455555556,1.592592593,1.571428571,1,0,0.043631609,-0.004050431,-0.01570374,-0.009544832,0.006655094,-0.004167763,-0.00637116,0.011367029,0,564.9747087,-53.80711511,-80.71067267,-269.0355756,121.066009,-40.35533633,-201.7766817,242.132018,0,1050.594596,-100.0566282,-150.0849423,-500.283141,225.1274134,-75.04247115,-375.2123557,450.2548269,0,0.110674667,-0.010540444,-0.015810667,-0.052702222,0.023716,-0.007905333,-0.039526667,0.047432,0,4.696646663,-0.447299682,-0.670949523,-2.236498411,1.006424285,-0.335474762,-1.677373808,2.01284857,0,25.51225921,-2.429738973,-3.644608459,-12.14869486,5.466912688,-1.822304229,-9.111521147,10.93382538,0,3.740740741,-1.049382716,0.083333333,-1.533950617,0.759259259,0.194444444,-1.712962963,1.388888889,0,0.002077696,-2.03E-04,-4.36E-04,-2.22E-04,1.48E-04,-1.54E-04,-3.03E-04,6.32E-04,0,26.90355756,-2.690355756,-2.24196313,-6.256641292,2.690355756,-1.494642086,-9.608413413,13.45177878,0,50.0283141,-5.00283141,-4.169026175,-11.63449165,5.00283141,-2.779350783,-17.86725503,25.01415705,0,0.005270222,-5.27E-04,-4.39E-04,-0.001225633,5.27E-04,-2.93E-04,-0.001882222,0.002635111,0,0.223649841,-0.022364984,-0.018637487,-0.052011591,0.022364984,-0.012424991,-0.079874943,0.111824921,0,1.214869486,-0.121486949,-0.101239124,-0.282527788,0.121486949,-0.067492749,-0.433881959,0.607434743,0,0.178130511,-0.052469136,0.002314815,-0.03567327,0.016872428,0.007201646,-0.081569665,0.077160494,0,-0.097474127,-0.209951346,-0.106836069,0.071180284,-0.074294608,-0.146021671,0.303943261,0,-0.1,-0.083333333,-0.23255814,0.1,-0.055555556,-0.357142857,0.5,0,-0.1,-0.083333333,-0.23255814,0.1,-0.055555556,-0.357142857,0.5,0,-0.1,-0.083333333,-0.23255814,0.1,-0.055555556,-0.357142857,0.5,0,-0.1,-0.083333333,-0.23255814,0.1,-0.055555556,-0.357142857,0.5,0,-0.1,-0.083333333,-0.23255814,0.1,-0.055555556,-0.357142857,0.5,0,-0.294554455,0.01299505,-0.200264794,0.094719472,0.040429043,-0.457920792,0.433168317,0,1.403562793,1.267284199,1.159751752,0.799932717,1.150383554,0.919819368,0.003536262,0,1.5,1.19047619,1.245847176,0.714285714,0.952380952,1.224489796,0,0,1.5,1.19047619,1.245847176,0.714285714,0.952380952,1.224489796,0,0,1.5,1.19047619,1.245847176,0.714285714,0.952380952,1.224489796,0,0,1.5,1.19047619,1.245847176,0.714285714,0.952380952,1.224489796,0,0,1.5,1.19047619,1.245847176,0.714285714,0.952380952,1.224489796,0,0,1.707920792,0.934405941,1.215749482,0.731023102,0.924092409,1.52758133,0,0,27.8572348,13.9286174,21.86902474,27.8572348,3.979604971,13.92862001,3.55E-15,0.011880919,0.001697274,-3.102975155,35.3537973,5.050542472,2.495784065,27.8572348,13.9286174,21.86902474,27.8572348,3.979604971,13.92862001,3.55E-15,0.011880919,0.001697274,-3.102975155,35.3537973,5.050542472,2.495784065,27.8572348,13.9286174,21.86902474,27.8572348,3.979604971,13.92862001,3.55E-15,0.011880919,0.001697274,-3.102975155,35.3537973,5.050542472,2.495784065,27.8572348,13.9286174,21.86902474,27.8572348,3.979604971,13.92862001,3.55E-15,0.011880919,0.001697274,-3.102975155,35.3537973,5.050542472,2.495784065,27.8572348,13.9286174,21.86902474,27.8572348,3.979604971,13.92862001,3.55E-15,0.011880919,0.001697274,-3.102975155,35.3537973,5.050542472,2.495784065,27.8572348,13.9286174,21.86902474,27.8572348,3.979604971,13.92862001,3.55E-15,0.011880919,0.001697274,-3.102975155,35.3537973,5.050542472,2.495784065,34.36060687,17.09002566,27.42671686,34.23163862,4.890234088,17.09002576,-0.180555556,0.124629645,0.017804235,-1.457686148,21.49102848,3.070146926,2.147344898,0,11.89,12.11009426,-0.16325312,0.057662074,5.295743149,7.575723995,6,20,19,19,5,1,1,0,0,1,15.304898,3.529814949,3.159514953,2.444603975,2.333552793,1.809595615,1.03289552,0.757100705,0.083923071,1.898132398,1.653170638,1.249629723,1.237071133,0.788615264,0.389700101,0.26329776,0.083923071,3.553457415,3.192168256,2.50341464,2.405454588,1.885800148,1.148941861,0.893057276,0.270913902,1.841975384,1.580665567,1.134540686,1.133191398,0.665710498,0.233331616,0.096481722,0.270913902,3.659503163,3.337607498,2.75465521,2.704236987,2.204898831,1.614548893,1.422243828,0.943918427,1.681079346,1.366890904,0.802967036,0.76031856,0.264994969,0.301418868,0.484566526,0.943918427,3.570986852,3.216342908,2.546428013,2.457539916,1.941196856,1.232163773,0.989463359,0.399277246,1.806582989,1.534394173,1.064885344,1.058262671,0.58414598,0.12775141,0.016841608,0.399277246,3.712372308,3.409126846,2.871291923,2.838982085,2.349304718,1.814653975,1.643205628,1.207644823,1.632311777,1.300532342,0.69237694,0.631337262,0.12682676,0.496302336,0.701659023,1.207644823,3.573718715,3.258603748,2.608766373,2.571572866,2.00096891,1.277559265,1.113012339,0.545454545,1.822326573,1.451122122,0.990140869,0.935209229,0.48978151,0.051655513,0.154215419,0.545454545,0,0,0,2,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.204124145,0.23570226,0.136082763,0.136082763,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,5.439157589,2.881880722,2.198584704,0.843189545,0.40824829,0.272165527,0,0,0.777022513,0.480313454,0.366430784,0.210797386,0.136082763,0.136082763,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,4,2,0,2,0,0,0,0,0,0,0,0,3,0,1,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.296296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.624791667,0,0,0.984930556,0.580555556,0,0.624791667,0,0,0,0,0,0,0,0,6.502361111,0,1.21875,0,4.296296296,0,0.815925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.097222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.225625,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.057916667,0,1.21875,0,2.097222222,0,0.815925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.199074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.324097222,0,0,0.290277778,0.290277778,0,0.324097222,0,0,0,0,0,0,0,0,2.222222222,0,1.21875,0,2.199074074,0,0.815925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.83333333,1.833333333,0.324097222,2.222222222,0.225625,0.815925926,4.946188981,0.517407407,0.222222222,1.597314815,0.517407407,0.222222222,1.597314815,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.90431,0.84347,7.02591,1.1216,0.16023,2.66649,0.38093,3.27005,0.60355,0.08622,0.14395,0.02056,0.14395,0.02056,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.058053137,3.141619208,3.236857303,3.236857303,2.818541358,19.28421252,43.21911587,65.97400337,67.97400337,67.97400337,59.18936853,0.209068641,0.468557469,0.715253226,0.736936107,0.736936107,0.641698012,3.474021589,2.334264286,1.250698215,1.155460119,1.155460119,1.573776064,0.209068641,0.468557469,0.715253226,0.736936107,0.736936107,0.641698012,6.73287657,16.07411706,18.21303588,18.30901922,18.30901922,13.28922788,27.64912502,17.70101564,15.95461758,15.72677782,15.72677782,13.21688215,7,4.166666667,6,7,2,6,2.23,1.0519,0.814325285,3.639717277,1.889881575,0,2.381101578,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,2.979,6,4,3,2,0,0,0,0,0,28,2.079441542,2.197224577,1.945910149,1.945910149,1.609437912,0,0,0,0,0,3.663561646,1.357142857,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,0,126.9918924,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,98.10955045,4.671883355,12.67036528,1.810052182,0,0,0,52,4,3.851,24,1.212632308,2.109700381,2.945047067,3.609796991,4.773589099,5.80747124,6.458560155,0,0,0,73.71868539,75.38389244,70.4402197,63.86375177,91.26007194,44.69878225,6.562310465,0,0,0,277.0717728,330.1004506,366.9801458,348.1063703,506.0046327,473.1479002,200.7562332,0,0,0,8.819981422,14.99659654,20.74429647,25.04488514,33.3285754,40.41363435,43.39160389,0,0,0,2.098735329,2.721103558,3.242783802,3.239675941,4.642795749,4.922096289,2.871559191,0,0,0,173.9200089,327.6719055,470.7691294,606.7144587,785.7101429,962.6800331,1194.301779,0,0,0,2.794117317,3.877274706,5.172456363,5.537652325,7.925396226,9.305617109,6.458560155,0,0,0,0.435099075,0.573562941,0.691769811,0.698892074,0.997806892,1.076029927,0.66135656,0,0,0,352.7139376,150.3570099,10.4186157,135.795277,-57.88762401,-8.967099663,216.9186606,208.2446339,19.38571537,0.722021053,0.307787459,0.021327368,0.277978947,-0.11849853,-0.01835605,172.3040086,73.4507848,5.089589775,66.33724411,-28.27863774,-4.380510813,0.133468028,0.213527372,2.049094787,10.11972788,488.5092146,0,1,0,392.3835036,19.80867243,7.320997304,532.7165621,23.08065342,8.106475349,602.6368475,24.54866285,8.446664171,2.211674875,2.211674875,522.3562213,472.4385054,77.40531744,1.105659711,6.748324773,6.103437347,4.137881647,4.636133968,8.029392052,0.731915451,5.773496048,4.755284486,2.392515536,15.06811347,8.232490055,5.918709823,2.697236477,4.989592803,4.997222245,2.556501533,3.877267417,2.883019887,2.000757875,0.092565654,0.917237109,2.41E-10,1.22E-41,1.19E-94,2.24E-169,8.14E-266,0,0,0,0,0,0,0,0,0,0,0.484537449,4.748713305,0.195102952,5.762436496,0.974016649,0.446289492,0.610440311,0.179404196,2.115891383,0.162497884,0.095426852,0.280166999,0.03200629,6.53E-04,0.006460176,1.70E-12,8.59E-44,8.38E-97,1.58E-171,5.74E-268,0,0,0,0,0,0,0,0,0,0,1.564126655,4.749152531,0.633561657,6.416600277,1.489573821,1.473730248,1.024101872,0.729281706,2.509951888,0.558474701,0.459552023,0.785585294,0.192870865,0.006795453,0.067320014,1.77E-11,8.95E-43,8.74E-96,1.65E-170,5.98E-267,0,0,0,0,0,0,0,0,0,0,5.449709792,4.754563073,2.254425524,14.05787247,7.446374319,5.551995756,2.565133677,4.542294685,4.752169964,2.377151564,3.501469417,2.714519799,1.79497464,0.082474776,0.81724175,2.15E-10,1.09E-41,1.06E-94,2.00E-169,7.26E-266,0,0,0,0,0,0,0,0,0,0,2.305230801,4.749721896,0.937542788,7.235425465,2.130328492,2.205639292,1.311719104,1.235020528,2.838088604,0.85782206,0.830605444,1.140223259,0.374857121,0.014759044,0.146228067,3.84E-11,1.94E-42,1.90E-95,3.57E-170,1.30E-266,0,0,0,0,0,0,0,0,0,0,6.972330814,4.758317902,2.907849606,19.30879729,11.53116242,7.312475853,3.191293503,6.819254102,5.982497987,3.257785213,5.432493316,3.517295025,2.859484255,0.134996203,1.337704119,3.51E-10,1.78E-41,1.74E-94,3.27E-169,1.19E-265,0,0,0,0,0,0,0,0,0,0,3.245302336,4.125165932,1.313796314,8.393472985,3.318316868,3.038258353,1.746001962,2.005357406,3.307453369,1.319080223,1.364412174,1.693340999,0.664595897,0.027542691,0.272896991,7.16E-11,3.63E-42,3.54E-95,6.67E-170,2.42E-266,0,0,0,0,0,0,0,0,0,0,5.78940035,1.213744316,0.485087635,0.773133113,0.162086894,0.535047785,0.46432867,0.358168332,7.488232301,10.42399065,21.32086185,0.65969967,1.357544787,4.685144679,0.651806279,0.140275294,0.85538637,0.119002986,0.352089097,0.134241942,0.028920339,5.477226252,3.802449083,9.708048971,0.783079554,0.515251379,5.123034785,0.874883636,0.278014159,0.816298569,0.139402969,0.420015446,0.241852585,0.115799409,6.27593258,6.149565544,13.67157407,0.724447854,0.777667439,5.761997744,1.199831301,0.476616412,0.774623915,0.161301351,0.530039001,0.453818689,0.345611315,7.438445457,10.23154723,20.96504463,0.661935873,1.329469006,5.318526172,0.974399056,0.339023635,0.801955244,0.146924995,0.452300642,0.299882999,0.173216133,6.631948864,7.315817272,15.704711,0.702932867,0.925399774,5.875209079,1.257298203,0.511594334,0.768593796,0.164479525,0.550887064,0.497980364,0.398914519,7.644101616,11.03584013,22.45903272,0.652890694,1.447781947,5.774022359,1.200599176,0.476345913,0.774935926,0.161133327,0.53226815,0.454394869,0.345332631,7.450967447,10.25461895,21.00775273,0.662403889,1.33199565 +UMLS0298,L,trans-5-methyl-2-hexene,C/C=C/CC(C)C,5357252,"Sandia values from independent API report, because UML has concrete source [1] for these values we should use these values ","Sandia, UML",[1],C7H14,PubChem,,13.1,0,0.5056,0.25563136,36.8428,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1190.529654,1013.078141,815.305348,640.730667,472.25237,281.592025,84.835296,3885.475125,4800.404174,5835.09088,5418.88368,4381.00159,3541.508989,2888.518855,2068.222976,1061.424631,167.819552,166.665724,297.486168,362.252084,292.64872,230.562156,208.786376,186.21226,123.32736,29.42500648,37.33900896,50.13168111,49.55779744,40.09165568,32.40798963,27.39200101,21.03814958,12.01662072,3973.037281,3337.521256,6591.128897,8625.609131,6961.736324,5419.19096,4986.151509,4616.702266,3137.747111,41,48.5,72,80.25,65.5,50.25,43,37,24,48.76541633,52.3287937,28.34594414,19.48227194,19.4120321,19.41608082,15.74174567,10.42933426,4.713072,161.8947969,208.713225,138.9307352,104.2093015,104.3095617,107.3184542,96.28396182,76.60085098,58.96803508,6.992481333,7.246335826,7.083004,6.966386231,6.967826667,6.986732,6.959545867,6.89675037,6.85152,1.226041937,1.623435172,1.193611455,0.953034566,0.95456323,0.982060292,0.9130667,0.779190725,0.66759004,165.54322,145.1096198,156.9316404,165.8770987,165.7556268,164.2179079,166.2050503,170.9889728,174.3192839,1.708333333,2.108695652,1.714285714,1.543269231,1.55952381,1.522727273,1.433333333,1.37037037,1.333333333,0.048115405,-0.004461952,-0.022700757,0.003048331,-0.002523186,-0.004721225,0.002805121,0.001379413,-0.00163888,645.6853813,-53.80711511,-242.132018,13.45177878,-1.60E-13,-80.71067267,-80.71067267,-3.02E-13,-2.74E-13,1200.679538,-100.0566282,-450.2548269,25.01415705,1.42E-13,-150.0849423,-150.0849423,1.42E-13,8.53E-14,0.126485333,-0.010540444,-0.047432,0.002635111,-3.70E-16,-0.015810667,-0.015810667,-1.09E-15,-1.09E-15,5.367596186,-0.447299682,-2.01284857,0.111824921,-9.16E-16,-0.670949523,-0.670949523,-4.25E-15,-4.47E-15,29.15686767,-2.429738973,-10.93382538,0.607434743,1.31E-14,-3.644608459,-3.644608459,4.15E-14,4.15E-14,3.5,-0.5625,-1.125,0.25,-0.125,-0.6875,-0.125,0.4375,-0.375,0.002004809,-1.94E-04,-5.40E-04,5.86E-05,-6.01E-05,-1.43E-04,9.35E-05,5.11E-05,-9.10E-05,26.90355756,-2.339439787,-5.765048048,0.258688053,-3.81E-15,-2.44577796,-2.690355756,-1.12E-14,-1.52E-14,50.0283141,-4.350288182,-10.72035302,0.481041482,3.38E-15,-4.548028554,-5.00283141,5.26E-15,4.74E-15,0.005270222,-4.58E-04,-0.001129333,5.07E-05,-8.82E-18,-4.79E-04,-5.27E-04,-4.04E-17,-6.03E-17,0.223649841,-0.019447812,-0.047924966,0.002150479,-2.18E-17,-0.020331804,-0.022364984,-1.57E-16,-2.48E-16,1.214869486,-0.105640825,-0.260329176,0.011681437,3.12E-16,-0.110442681,-0.121486949,1.54E-15,2.31E-15,0.145833333,-0.024456522,-0.026785714,0.004807692,-0.00297619,-0.020833333,-0.004166667,0.016203704,-0.020833333,-0.096766294,-0.269598918,0.029240568,-0.029965888,-0.071362136,0.04663988,0.025483418,-0.045415253,-0.086956522,-0.214285714,0.009615385,-1.41E-16,-0.090909091,-0.1,-4.16E-16,-5.65E-16,-0.086956522,-0.214285714,0.009615385,6.76E-17,-0.090909091,-0.1,1.05E-16,9.47E-17,-0.086956522,-0.214285714,0.009615385,-1.67E-15,-0.090909091,-0.1,-7.67E-15,-1.14E-14,-0.086956522,-0.214285714,0.009615385,-9.75E-17,-0.090909091,-0.1,-7.03E-16,-1.11E-15,-0.086956522,-0.214285714,0.009615385,2.57E-16,-0.090909091,-0.1,1.27E-15,1.90E-15,-0.167701863,-0.183673469,0.032967033,-0.020408163,-0.142857143,-0.028571429,0.111111111,-0.142857143,1.425677748,1.340886292,0.979066547,1.172229138,1.149922886,0.710370311,0.605573931,0.618780145,1.5,1.334821429,0.912259615,0.924107143,1.045454545,1.00625,0.798611111,0.71875,1.5,1.334821429,0.912259615,0.924107143,1.045454545,1.00625,0.798611111,0.71875,1.5,1.334821429,0.912259615,0.924107143,1.045454545,1.00625,0.798611111,0.71875,1.5,1.334821429,0.912259615,0.924107143,1.045454545,1.00625,0.798611111,0.71875,1.5,1.334821429,0.912259615,0.924107143,1.045454545,1.00625,0.798611111,0.71875,1.571428571,1.212585034,0.947802198,1.056122449,1.045454545,0.766666667,0.669312169,1.095238095,39.81210221,19.90605111,31.45595562,39.81210221,4.976512776,19.90605111,1.07E-14,5.55E-16,6.94E-17,-28.10189013,46.15774863,5.769718579,3.065651878,39.81210221,19.90605111,31.45595562,39.81210221,4.976512776,19.90605111,1.07E-14,5.55E-16,6.94E-17,-28.10189013,46.15774863,5.769718579,3.065651878,39.81210221,19.90605111,31.45595562,39.81210221,4.976512776,19.90605111,1.07E-14,5.55E-16,6.94E-17,-28.10189013,46.15774863,5.769718579,3.065651878,39.81210221,19.90605111,31.45595562,39.81210221,4.976512776,19.90605111,1.07E-14,5.55E-16,6.94E-17,-28.10189013,46.15774863,5.769718579,3.065651878,39.81210221,19.90605111,31.45595562,39.81210221,4.976512776,19.90605111,1.07E-14,5.55E-16,6.94E-17,-28.10189013,46.15774863,5.769718579,3.065651878,39.81210221,19.90605111,31.45595562,39.81210221,4.976512776,19.90605111,1.07E-14,5.55E-16,6.94E-17,-28.10189013,46.15774863,5.769718579,3.065651878,44.16620805,21.99977069,34.61092785,44.04120805,5.505151006,21.99977069,-0.166666667,8.88E-16,1.11E-16,-27.72588722,60.06740012,7.508425015,3.276373814,0,11.89,12.11011416,-0.168912021,0.051561084,5.140065502,7.202985825,7,23,22,22,6,1,1,0,0,1,17.491312,3.531092782,3.216500786,2.869901893,2.330331032,1.922990144,1.427533299,1.250695299,0.748770527,1.895748223,1.740392016,1.461717742,1.166111283,0.88270792,0.658039775,0.561483039,0.260231199,3.554404785,3.252831123,2.911155362,2.39241487,1.997022214,1.530007634,1.36406611,0.885469075,1.8399447,1.666231592,1.378978703,1.056769624,0.761425094,0.512696334,0.41093216,0.093081751,3.65912492,3.411335732,3.091354536,2.65768536,2.308428908,1.946180134,1.815009902,1.416965586,1.680464059,1.442649629,1.12689949,0.70867222,0.367311768,0.022232919,0.103968651,0.489523771,3.571697159,3.279544313,2.941517817,2.437831855,2.050922761,1.603771955,1.445049763,0.982363188,1.804811285,1.618506105,1.325481091,0.984830156,0.681025895,0.415022076,0.309297621,0.020493383,3.711433242,3.487495056,3.177725729,2.780756788,2.450029769,2.127758149,2.007862938,1.638652831,1.632248229,1.371415381,1.045992291,0.591941884,0.232038084,0.153697611,0.291981511,0.707400829,3.608036414,3.285009086,3.041123948,2.504637278,2.133104503,1.680721406,1.526764541,1.140667771,1.775840195,1.596526627,1.206354878,0.890691598,0.564606323,0.309014501,0.192733423,0.187131169,0,0,0,2,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.983127663,3.564043477,2.04875479,1.077350269,0.569035594,0.319035594,0.166666667,0.083333333,0.747890958,0.509149068,0.341459132,0.215470054,0.142258898,0.106345198,0.083333333,0.083333333,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,6,2,0,2,0,0,0,0,0,0,0,0,2,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.534722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.581388889,0,0,1.518611111,0.580555556,0,0.581388889,0,0,0,0,0,0,0,0,4.409297052,0,5.055980726,0,4.534722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,0.225625,0.290277778,0,0.290694444,0,0,0,0,0,0,0,0,2.204648526,0,1.25,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,0.290277778,0.290277778,0,0.290694444,0,0,0,0,0,0,0,0,2.204648526,0,1.277990363,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,1.75,0.290694444,2.267361111,0.225625,1.25,5.611521259,0.25,0.267361111,1.888038549,0.25,0.267361111,1.888038549,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.25,0,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,6.78264,0.84783,7.95768,1.17504,0.14688,3.37132,0.42142,3.91421,0.54289,0.06786,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,0.75,0.918295834,1.947338796,2.855388542,2.855388542,2.855388542,2.688721876,22.03910002,46.73613111,68.52932501,68.52932501,68.52932501,64.52932501,0.200284263,0.424722949,0.622772496,0.622772496,0.622772496,0.586421781,3.666666667,2.637623705,1.729573959,1.729573959,1.729573959,1.896240625,0.200284263,0.424722949,0.622772496,0.622772496,0.622772496,0.586421781,6.73287657,15.09808847,16.01324374,16.01324374,16.01324374,14.01324374,31.59900002,21.28780565,21.38396042,21.38396042,21.38396042,24.55388542,8,7,7.2,8,2,8,2.34,1.1928,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.706,6,5,4,3,2,1,0,0,0,36,2.197224577,2.197224577,2.197224577,2.197224577,1.945910149,1.609437912,1.098612289,0,0,0,3.970291914,1.444444444,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,144.287877,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,112.1252005,4.671883355,14.83110795,1.853888494,0,0,0,84,5,4.376,26,1.214941501,2.11248199,2.885267684,3.668573271,5.053286414,6.045113584,7.269849591,8.335584153,9.589839999,0,74.61841758,68.04211168,68.68650984,91.57535101,115.2000319,111.6628137,85.83154753,42.45584281,9.743891189,0,279.3735926,317.2369097,332.9744958,450.3563015,593.406483,640.7871986,593.5099254,515.439651,298.0881357,0,8.839206964,15.01830289,20.15968254,25.75384163,35.43102792,42.25117532,50.25377425,57.22549727,64.4289948,0,2.112358211,2.667759244,2.936778582,3.944072718,5.28149231,5.913470418,5.912678146,5.755922689,4.263766619,0,174.0999243,327.4920393,474.4977037,593.7226582,820.7093283,991.0990912,1234.284908,1443.966536,1773.330696,0,2.651173223,3.746534178,4.622187711,6.172561928,7.968672312,9.014953725,10.23856893,11.39989596,9.589839999,0,0.437780654,0.563985241,0.627546911,0.84095331,1.129041871,1.271528164,1.288589207,1.275213122,0.981999616,0,385.1669824,185.2017238,10.85608586,136.1412122,-65.46144486,-8.839838081,249.0257702,250.6631687,19.69592394,0.738846975,0.355263404,0.020824698,0.261153025,-0.125571486,-0.016957029,200.7907042,96.54717629,5.659366518,70.97152952,-34.12558763,-4.60828003,0.118326526,0.182891097,1.926572084,1.616221623,521.3081946,0,1,0,456.9636291,21.37670763,7.702420272,617.1452802,24.84240891,8.513911614,686.0386189,26.19233894,8.819612845,3.29041009,3.29041009,1006.61386,983.5476635,42.03573791,1.023452037,23.94662042,23.39789219,4.407048001,5.879775082,10.51314287,0.788017862,6.513366457,5.882233671,3.06063478,23.7896382,10.47183067,1.715027722,5.245819474,7.038913691,11.61824487,0.046526686,0.728847688,10.72688491,2.889285778,10.36141851,0.001713987,4.318797249,4.381934847,0.384194597,0.010089221,0.982874822,5.08E-11,5.07E-43,9.74E-97,3.61E-172,2.58E-269,0,0,0,0,0,0.5466297,5.87609189,0.252528738,6.133094869,0.079263566,0.144232986,0.805203289,0.067584559,4.168099108,3.34E-04,0.04315909,0.819091562,0.049479463,2.312850264,1.23E-05,0.063537157,0.333684525,0.030623305,7.12E-05,0.006922468,3.58E-13,3.57E-45,6.86E-99,2.54E-174,1.82E-271,0,0,0,0,0,1.764567878,5.876502448,0.818046137,7.39432711,0.782728369,0.463020995,1.711042559,0.562884825,5.141313077,0.003430986,0.148257006,2.571978342,0.286897798,3.418342981,1.26E-04,0.401806213,1.074645752,0.099922885,7.41E-04,0.072137451,3.73E-12,3.72E-44,7.15E-98,2.65E-173,1.90E-270,0,0,0,0,0,6.148087109,5.881559412,2.886008704,21.87989643,9.334006285,1.618212205,4.973761121,6.283945579,10.96845798,0.041458779,0.674535978,10.02499494,2.594359333,9.678579564,0.001527262,3.870683539,4.103901734,0.361533248,0.00898944,0.875723771,4.53E-11,4.51E-43,8.68E-97,3.22E-172,2.30E-269,0,0,0,0,0,2.600644256,5.877034621,1.208535536,8.955762586,1.686632737,0.682406695,2.333046567,1.178345263,5.971963864,0.007437053,0.230755792,3.855301797,0.551498165,4.33679178,2.74E-04,0.791480374,1.608641407,0.148347589,0.001609016,0.156692183,8.10E-12,8.08E-44,1.55E-97,5.76E-173,4.12E-270,0,0,0,0,0,7.865831472,5.885068809,3.710280171,31.8016162,15.25421006,2.074232967,6.253364144,10.20685401,14.24403857,0.067834243,0.943944228,13.43392121,4.118737833,13.10552095,0.002499073,6.190977384,5.445658567,0.469252929,0.014713585,1.433430555,7.41E-11,7.39E-43,1.42E-96,5.27E-172,3.77E-269,0,0,0,0,0,3.743438884,5.328487252,1.805118974,11.76904362,3.440523305,0.838528961,3.521796307,2.374735066,7.164784471,0.015218413,0.392641122,5.571235502,1.005301816,5.907436808,5.60E-04,1.480373018,2.667233495,0.244024189,0.003295215,0.320938717,1.66E-11,1.65E-43,3.18E-97,1.18E-172,8.44E-270,0,0,0,0,0,10.54324969,0.781791816,0.392130348,0.899811817,0.066721887,0.599171322,0.617091059,0.499987945,11.71717185,12.68351878,27.63287456,0.849717725,1.716250325,8.68695457,0.290223028,0.08453712,0.958643572,0.032027385,0.406956815,0.086006257,0.02323772,9.061714718,3.280059003,12.55490484,0.937965359,0.516200793,9.42402672,0.485646213,0.206703166,0.931561522,0.048005947,0.478826537,0.23983083,0.138928991,10.1163761,6.625103658,17.687507,0.897342284,0.857586358,10.49727563,0.76963938,0.384515206,0.900943098,0.066055357,0.593961575,0.598237452,0.480757051,11.65143022,12.41141685,27.1693903,0.851414646,1.672956078,9.752654996,0.57266949,0.261157601,0.921236622,0.054094409,0.512759948,0.332809432,0.221770597,10.58648209,8.281584933,20.32664475,0.881854933,1.067339977,10.68718706,0.819832981,0.415971323,0.896351153,0.068760679,0.615629798,0.677958193,0.562633267,11.92299137,13.54829879,29.1159096,0.84452673,1.856221257,10.50960433,0.769659692,0.384868675,0.901018927,0.065985163,0.595351974,0.598029557,0.481641336,11.6641327,12.42985423,27.20711991,0.851528391,1.675022867 +UMLS0299,L,trans-4-octene,CCC/C=C/CCC,5357253,[4] has 94.6 / 80.6 for RON / MON; (trans) reported,"Sandia, UML",[1],C8H16,PubChem,,-1,0,2.9099,8.46751801,39.4599,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1663.702666,1617.230504,935.450715,263.650464,27.433728,0,0,3885.475125,4800.404174,6651.947662,7841.377869,6677.791077,3464.027594,839.2610996,0,0,167.819552,166.665724,297.181864,350.949536,501.763116,430.448256,181.398528,0,0,29.42500648,37.33900896,53.48844684,65.95972249,65.13331524,40.0513783,12.00454843,0,0,3973.037281,3337.521256,6644.791652,7387.764618,11899.69199,11077.5002,4992.776605,0,0,44.34027778,52.25,75.25,102.5,117.75,81,27,0,0,48.76541633,52.3287937,39.61196824,33.00470416,12.99237104,4.184928,1.016064,0,0,161.8947969,208.713225,158.3797062,160.0281198,92.74709829,54.98456499,31.08374443,0,0,6.992481333,7.246335826,7.075758667,7.162235429,6.968932167,6.832512,6.718464,0,0,1.226041937,1.623435172,1.273534449,1.346116786,0.904629378,0.635736163,0.444612905,0,0,165.54322,145.1096198,158.2093251,150.7707065,165.2734999,175.8333365,184.917652,0,0,1.847511574,2.27173913,1.791666667,2.091836735,1.635416667,1.285714286,1,0,0,0.039445693,-0.006904634,0.017142656,-0.027717358,-0.032484437,0.012780187,0.017460739,0,0,645.6853813,-53.80711511,282.4873543,-551.5229299,-484.264036,121.066009,363.198027,0,0,1200.679538,-100.0566282,525.297298,-1025.580439,-900.5096538,225.1274134,675.3822403,0,0,0.126485333,-0.010540444,0.055337333,-0.108039556,-0.094864,0.023716,0.071148,0,0,5.367596186,-0.447299682,2.348323331,-4.584821742,-4.025697139,1.006424285,3.019272855,0,0,29.15686767,-2.429738973,12.75612961,-24.90482447,-21.86765075,5.466912688,16.40073807,0,0,4.513599537,-2.332766686,3.137948495,-2.009247203,-3.340277778,0.045030382,2.242513021,0,0,0.001643571,-3.00E-04,4.08E-04,-5.66E-04,-4.51E-04,2.03E-04,6.47E-04,0,0,26.90355756,-2.339439787,6.725889389,-11.25557,-6.725889389,1.921682683,13.45177878,0,0,50.0283141,-4.350288182,12.50707852,-20.93021304,-12.50707852,3.573451007,25.01415705,0,0,0.005270222,-4.58E-04,0.001317556,-0.002204889,-0.001317556,3.76E-04,0.002635111,0,0,0.223649841,-0.019447812,0.05591246,-0.093567791,-0.05591246,0.015974989,0.111824921,0,0,1.214869486,-0.105640825,0.303717372,-0.508261724,-0.303717372,0.086776392,0.607434743,0,0,0.188066647,-0.101424639,0.074713059,-0.041005045,-0.046392747,7.15E-04,0.083056038,0,0,-0.182652009,0.248336452,-0.344165561,-0.27450768,0.123426473,0.393468996,0,0,-0.086956522,0.25,-0.418367347,-0.25,0.071428571,0.5,0,0,-0.086956522,0.25,-0.418367347,-0.25,0.071428571,0.5,0,0,-0.086956522,0.25,-0.418367347,-0.25,0.071428571,0.5,0,0,-0.086956522,0.25,-0.418367347,-0.25,0.071428571,0.5,0,0,-0.086956522,0.25,-0.418367347,-0.25,0.071428571,0.5,0,0,-0.539301572,0.397269056,-0.218034646,-0.24668248,0.00380061,0.441630874,0,0,1.525973743,0.832502693,1.752213595,1.190443027,0.544078768,0.003339418,0,0,1.5,0.872767857,1.672193878,1.16796875,0.616071429,0,0,0,1.5,0.872767857,1.672193878,1.16796875,0.616071429,0,0,0,1.5,0.872767857,1.672193878,1.16796875,0.616071429,0,0,0,1.5,0.872767857,1.672193878,1.16796875,0.616071429,0,0,0,1.5,0.872767857,1.672193878,1.16796875,0.616071429,0,0,0,2.003205334,0.479829293,1.463500408,1.280562857,0.727958752,0,0,0,29.58010456,14.79005228,20.83669301,29.58010456,3.69751307,14.79005338,-1.24E-14,0.003766973,4.71E-04,-4.465186896,24.42710954,3.053388693,2.55655485,29.58010456,14.79005228,20.83669301,29.58010456,3.69751307,14.79005338,-1.24E-14,0.003766973,4.71E-04,-4.465186896,24.42710954,3.053388693,2.55655485,29.58010456,14.79005228,20.83669301,29.58010456,3.69751307,14.79005338,-1.24E-14,0.003766973,4.71E-04,-4.465186896,24.42710954,3.053388693,2.55655485,29.58010456,14.79005228,20.83669301,29.58010456,3.69751307,14.79005338,-1.24E-14,0.003766973,4.71E-04,-4.465186896,24.42710954,3.053388693,2.55655485,29.58010456,14.79005228,20.83669301,29.58010456,3.69751307,14.79005338,-1.24E-14,0.003766973,4.71E-04,-4.465186896,24.42710954,3.053388693,2.55655485,29.58010456,14.79005228,20.83669301,29.58010456,3.69751307,14.79005338,-1.24E-14,0.003766973,4.71E-04,-4.465186896,24.42710954,3.053388693,2.55655485,39.19317322,19.49450328,28.45642338,39.04004822,4.880006027,19.49450328,-0.204166667,0.121542353,0.015192794,-1.685993995,22.37726821,2.797158526,2.486436505,0,11.89,12.11011416,-0.148416445,0.07517386,5.77330662,9.399002439,7,23,22,22,6,1,1,0,0,1,17.491312,3.65282218,3.072240365,2.560068045,2.333552793,2.333552793,1.796336516,0.84587204,0.083923071,1.942153747,1.608613929,1.359884664,1.249629723,1.249629723,0.733794725,0.052800202,0.083923071,3.66979288,3.107711003,2.619775242,2.405454588,2.405454588,1.871255375,0.940636381,0.270913902,1.894671925,1.530452766,1.255169952,1.134540686,1.134540686,0.617632103,0.172411472,0.270913902,3.748610711,3.266249538,2.873771832,2.704236987,2.704236987,2.180249753,1.325389098,0.943918427,1.765196653,1.29819381,0.92248453,0.76031856,0.76031856,0.237727527,0.605005295,0.943918427,3.682515018,3.134015369,2.663370632,2.457539916,2.457539916,1.925421197,1.008966253,0.399277246,1.8653355,1.480383738,1.186349526,1.058262671,1.058262671,0.540572622,0.255461898,0.399277246,3.789583403,3.344237336,2.991339789,2.838982085,2.838982085,2.318068391,1.490786612,1.207644823,1.727974242,1.225797286,0.810931717,0.631337262,0.631337262,0.105277946,0.766544952,1.207644823,3.64531021,3.175145602,2.751666169,2.557155175,2.557155175,2.001678932,1.006295702,0.536312849,1.894305798,1.413681686,1.08460057,0.948216627,0.948216627,0.453857755,0.266349195,0.536312849,0,0,0,1,1,5,0,0,1,0,0,0,0,0,0,0,0,0,0,1.570149549,0.288675135,0.612372436,0.204124145,1.394337567,0.25,0.433012702,0.144337567,2.29489442,1.717544151,0.816496581,1.760362971,1.260362971,0.577350269,6.78445705,3.481380475,3.675321265,2.090770275,0.612372436,0,0,0,0.848057131,0.497340068,0.367532126,0.261346284,0.204124145,0,0,0,6.577350269,3.116025404,3.221687836,1.616025404,0.433012702,0,0,0,0.822168784,0.445146486,0.322168784,0.202003175,0.144337567,0,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,43,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,2,0,1,0,0,0,0,0,0,0,0,5,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.622685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.285069444,0,0,0.730208333,0.580555556,0,0.285069444,0,0,0,0,0,0,0,0,10.92418981,0,0,0,2.166666667,0,0,0,0,1.456018519,0,0,0.369791667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.456018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.285069444,0,0,0.243402778,0.290277778,0,0.285069444,0,0,0,0,0,0,0,0,2.083912037,0,0,0,2.166666667,0,0,0,0,1.456018519,0,0,0.369791667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.285069444,0,0,0.243402778,0.290277778,0,0.285069444,0,0,0,0,0,0,0,0,2.224537037,0,0,0,2.166666667,0,0,0,0,1.456018519,0,0,0.369791667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.91666667,1.864583333,0.290277778,2.224537037,0.013888889,0.369791667,5.211217014,0.880208333,0.224537037,2.181712963,0.880208333,0.224537037,2.181712963,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.625,0.125,0.125,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,8.66385,1.08298,9.87351,1.20965,0.15121,2.89443,0.3618,3.48137,0.58695,0.07337,0.43263,0.05408,0.43263,0.05408,0,7,0,0,0,0,0,0,0.75,0.918295834,1.861702233,2.551879687,2.801879687,2.610839583,2.037719271,22.03910002,44.68085358,61.2451125,67.2451125,62.66015,48.90526249,0.200284263,0.406045247,0.556575912,0.611101985,0.569435319,0.444435319,3.666666667,2.723260268,2.033082813,1.783082813,1.974122918,2.54724323,0.200284263,0.406045247,0.556575912,0.611101985,0.569435319,0.444435319,6.73287657,15.5820524,17.1936451,17.44560135,15.1531201,8.275676353,31.59900002,20.32164859,20.44799479,19.69799479,18.55175416,15.11303229,8,2.52,2.8125,8,2,5,2.34,1.1928,3.453222023,2.251600064,2.871745887,3.494135594,0,1,0.5,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.123,0.124,0.163,3.271,10,8,3,0,0,0,0,0,0,36,2.197224577,2.63905733,2.63905733,1.945910149,0,0,0,0,0,0,3.891820298,1.333333333,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,6,0.857142857,0,2,4,1,3.5,1.555555556,0.375,0,0,0,0,0,0,0,0.5,0.155555556,0.046875,0,0,0,0,0,0,0,0.702430556,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,0,144.287877,4,3.555348061,4.262679877,5.093750201,5.837730447,6.665683718,7.418780883,8.245121966,9.000976444,9.826552511,74.90662411,2.708050201,0,4.007333185,0,5.493061443,0,7.041411664,0,8.611593867,8.847216104,112.1252005,4.671883355,14.27506506,1.784383133,0,0,0,63,8,3.752,34,1.219504076,2.113885502,3.065822133,3.660022115,4.282626678,5.452809775,0,0,0,0,75.29254335,98.14613684,108.423941,54.07112787,20.44262034,5.540403711,0,0,0,0,281.3430932,375.6062221,508.7418787,359.3143299,254.4862236,169.4937455,0,0,0,0,8.873662043,15.04842235,21.98894649,25.55644907,29.35179833,36.63450617,0,0,0,0,2.125284466,2.940117378,4.229813569,3.43594076,2.874617272,2.424389594,0,0,0,0,174.6752635,327.9074664,460.1721751,601.2351042,745.803958,1008.320781,0,0,0,0,2.841192301,4.034065169,6.518042277,6.126996956,5.733457326,5.452809775,0,0,0,0,0.440385927,0.614599794,0.891379979,0.742511116,0.638175269,0.558367721,0,0,0,0,326.6099206,142.0546879,8.723676236,62.3941245,-27.13750355,-3.5407405,264.2157961,169.1921914,12.26441674,0.839605461,0.365175349,0.02242567,0.160394539,-0.069761494,-0.009102066,127.0525803,55.25984821,3.393545344,24.27156682,-10.55659865,-1.377362377,0.13081103,0.201459561,1.817311369,2.388533084,389.0040451,0,1,0,447.866765,21.16286287,7.650966116,608.0975391,24.6596338,8.472100169,797.9250313,28.24756682,9.275144759,1.303240263,1.295616476,425.9921921,367.7699151,175.765687,1.158311691,2.423636828,2.092387436,4.113898804,3.523245238,6.833024193,0.939412028,6.53283826,5.404102755,1.218080969,14.64081626,10.50743025,14.88978242,5.332549026,14.88415573,8.116607205,5.841798631,3.710614121,0.020844439,0.061538516,4.79E-20,7.18E-60,2.08E-121,1.16E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0.548259358,5.390718223,0.096205252,8.665776788,2.419051481,1.067115634,1.061103762,2.333316211,0.72164778,0.173274843,0.154539672,1.47E-04,4.33E-04,3.37E-22,5.06E-62,1.46E-123,8.17E-207,8.80081178119E-312,0,0,0,0,0,0,0,0,0,0,0,0,1.769839499,5.391612752,0.314528921,9.211491088,3.524641627,3.457059083,1.777068459,3.671747864,1.489715953,0.768223931,0.60223668,0.001529864,0.004516579,3.51E-21,5.27E-61,1.53E-122,8.52E-206,9.171124422152E-311,0,0,0,0,0,0,0,0,0,0,0,0,6.166466628,5.402633303,1.145624051,14.03661854,9.819313826,13.8908979,5.015891924,13.68298191,7.40161008,5.295917128,3.394505187,0.01857202,0.05482971,4.27E-20,6.40E-60,1.85E-121,1.03E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,2.608415969,5.392772421,0.467570928,9.786207242,4.445541209,5.225818701,2.314854131,4.953810508,2.237107891,1.343542139,0.992162141,0.003323069,0.009810613,7.63E-21,1.15E-60,3.31E-122,1.85E-205,1.99209077513435E-310,0,0,0,0,0,0,0,0,0,0,0,0,7.889347508,5.410281569,1.490644246,17.14858524,13.27429776,18.76154835,6.567620375,19.82299683,11.0617224,8.088741071,4.992758804,0.030399655,0.089748143,6.98E-20,1.05E-59,3.03E-121,1.69E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,3.758101243,4.474818122,0.592228153,10.75499917,5.849594458,7.244196817,2.880414883,7.067373652,3.392950161,2.174625827,1.547693568,0.005995517,0.017700414,1.38E-20,2.07E-60,5.98E-122,3.34E-205,3.59415172694184E-310,0,0,0,0,0,0,0,0,0,0,0,0,3.694457257,1.760654424,0.998219189,0.57248843,0.272828786,0.503043108,0.564906109,0.372890396,6.45333087,11.95005967,24.89646948,0.358732645,1.440839614,2.757746341,1.044226177,0.524078538,0.637474294,0.241380918,0.277952365,0.197337402,0.102783196,4.326051055,4.872243116,10.70748886,0.456211441,0.578072963,3.129561909,1.328983825,0.712391814,0.60522137,0.257010225,0.359189699,0.320686787,0.189918474,5.170937549,7.335368641,15.46924145,0.407832056,0.86979496,3.67124663,1.742937983,0.986480802,0.573572651,0.272305748,0.496644736,0.553526136,0.36417208,6.400665415,11.73974438,24.45265895,0.360358976,1.414342951,3.295391618,1.455815824,0.796330793,0.594027743,0.262425559,0.398856798,0.385287311,0.237310191,5.547538234,8.581016049,17.94893793,0.391041615,1.021454301,3.767129384,1.816114019,1.034968943,0.569206485,0.274411567,0.523347374,0.601280312,0.400851955,6.618212347,12.62002001,26.31901015,0.353809727,1.52547964,3.675994336,1.744909072,0.987311098,0.573637841,0.27229255,0.49787047,0.55473643,0.364785366,6.408214506,11.76639396,24.50749421,0.360456762,1.417392266 +UMLS0300,L,"3,4,4-trimethyl-2-pentene",C/C=C(\C)/C(C)(C)C,5357254,RON from [9],UML,"[1], [9]",C8H16,PubChem,,17.2,0,1.0596,1.12275216,37.8485,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1311.595663,1068.533261,821.401732,651.821691,475.300562,160.526016,18.289152,3885.475125,4800.404174,6060.218294,5837.148039,4567.504057,3625.161861,2981.770088,1843.095563,559.5073998,167.819552,166.665724,297.509884,364.247924,332.959504,230.961324,228.941768,186.188544,120.932352,29.42500648,37.33900896,51.13810539,52.90245447,42.75933311,33.07692103,28.72583972,20.03172529,8.003032287,3973.037281,3337.521256,6596.59581,8466.633609,8071.242236,5387.395856,5540.904465,4611.235353,3328.517736,42.27777778,49.58333333,74,87.83333333,71.66666667,50.83333333,48,39,18,48.76541633,52.3287937,31.22846817,20.54871656,17.11253608,19.75217245,14.40304733,5.945408,1.016064,161.8947969,208.713225,144.2909118,112.2528469,95.15633452,109.8533897,90.35666933,68.26279863,31.08374443,6.992481333,7.246335826,7.083568667,7.004767769,6.936656333,6.998828,6.937629333,6.895872,6.718464,1.226041937,1.623435172,1.217573938,1.017354894,0.89081944,1.00233094,0.870479992,0.741915752,0.444612905,165.54322,145.1096198,157.061805,162.8198771,168.1508799,163.2544199,167.9061959,170.7864946,184.917652,1.761574074,2.155797101,1.761904762,1.689102564,1.493055556,1.54040404,1.454545455,1.444444444,1,0.046855371,-0.006987677,-0.009410713,-0.011124572,-0.002398722,3.01E-05,0.004244597,-0.007515238,0.009734567,645.6853813,-53.80711511,-121.066009,-188.3249029,80.71067267,-121.066009,-40.35533633,-121.066009,242.132018,1200.679538,-100.0566282,-225.1274134,-350.1981987,150.0849423,-225.1274134,-75.04247115,-225.1274134,450.2548269,0.126485333,-0.010540444,-0.023716,-0.036891556,0.015810667,-0.023716,-0.007905333,-0.023716,0.047432,5.367596186,-0.447299682,-1.006424285,-1.565548888,0.670949523,-1.006424285,-0.335474762,-1.006424285,2.01284857,29.15686767,-2.429738973,-5.466912688,-8.504086404,3.644608459,-5.466912688,-1.822304229,-5.466912688,10.93382538,3.939814815,-1.305748457,0.58912037,-1.200617284,-0.164351852,-0.722800926,0.867476852,-1.286458333,1.253472222,0.001952307,-3.04E-04,-2.24E-04,-2.14E-04,-5.00E-05,9.11E-07,1.29E-04,-2.78E-04,5.41E-04,26.90355756,-2.339439787,-2.882524024,-3.621632748,1.681472347,-3.668666939,-1.22288898,-4.483926259,13.45177878,50.0283141,-4.350288182,-5.36017651,-6.734580744,3.126769631,-6.822042831,-2.274014277,-8.33805235,25.01415705,0.005270222,-4.58E-04,-5.65E-04,-7.09E-04,3.29E-04,-7.19E-04,-2.40E-04,-8.78E-04,0.002635111,0.223649841,-0.019447812,-0.023962483,-0.030106709,0.013978115,-0.030497706,-0.010165902,-0.037274974,0.111824921,1.214869486,-0.105640825,-0.130164588,-0.163540123,0.075929343,-0.165664021,-0.05522134,-0.202478248,0.607434743,0.164158951,-0.056771672,0.014026675,-0.023088794,-0.003423997,-0.021903058,0.026287177,-0.047646605,0.069637346,-0.155616935,-0.114769132,-0.109580131,-0.025597087,4.67E-04,0.065883157,-0.142570882,0.277010346,-0.086956522,-0.107142857,-0.134615385,0.0625,-0.136363636,-0.045454545,-0.166666667,0.5,-0.086956522,-0.107142857,-0.134615385,0.0625,-0.136363636,-0.045454545,-0.166666667,0.5,-0.086956522,-0.107142857,-0.134615385,0.0625,-0.136363636,-0.045454545,-0.166666667,0.5,-0.086956522,-0.107142857,-0.134615385,0.0625,-0.136363636,-0.045454545,-0.166666667,0.5,-0.086956522,-0.107142857,-0.134615385,0.0625,-0.136363636,-0.045454545,-0.166666667,0.5,-0.345833546,0.085445694,-0.14064901,-0.020857814,-0.133425916,0.160132464,-0.290246769,0.424206816,1.481931707,1.154866055,1.270692602,1.097814821,0.966844837,0.640340418,0.800061662,7.17E-05,1.5,1.232142857,1.119591346,0.80859375,1.110795455,0.914772727,0.958333333,0,1.5,1.232142857,1.119591346,0.80859375,1.110795455,0.914772727,0.958333333,0,1.5,1.232142857,1.119591346,0.80859375,1.110795455,0.914772727,0.958333333,0,1.5,1.232142857,1.119591346,0.80859375,1.110795455,0.914772727,0.958333333,0,1.5,1.232142857,1.119591346,0.80859375,1.110795455,0.914772727,0.958333333,0,1.769682726,0.901544402,1.270790021,0.927364865,0.965601966,0.604422604,1.297297297,0,37.09149965,18.54574982,28.95442261,37.09149965,4.636437456,18.54574985,-7.11E-15,0.096821184,0.012102648,-1.867911569,70.72803654,8.841004568,3.407073641,37.09149965,18.54574982,28.95442261,37.09149965,4.636437456,18.54574985,-7.11E-15,0.096821184,0.012102648,-1.867911569,70.72803654,8.841004568,3.407073641,37.09149965,18.54574982,28.95442261,37.09149965,4.636437456,18.54574985,-7.11E-15,0.096821184,0.012102648,-1.867911569,70.72803654,8.841004568,3.407073641,37.09149965,18.54574982,28.95442261,37.09149965,4.636437456,18.54574985,-7.11E-15,0.096821184,0.012102648,-1.867911569,70.72803654,8.841004568,3.407073641,37.09149965,18.54574982,28.95442261,37.09149965,4.636437456,18.54574985,-7.11E-15,0.096821184,0.012102648,-1.867911569,70.72803654,8.841004568,3.407073641,37.09149965,18.54574982,28.95442261,37.09149965,4.636437456,18.54574985,-7.11E-15,0.096821184,0.012102648,-1.867911569,70.72803654,8.841004568,3.407073641,43.18662854,21.48741149,33.39890947,43.02777438,5.378471797,21.4874115,-0.211805556,0.114946229,0.014368279,-1.730632668,44.28886351,5.536107939,3.032586606,0,11.89,12.11011416,-0.15495052,0.067269581,5.169181941,7.7384131,7,23,22,22,6,1,1,0,0,1,17.491312,3.557931948,3.215626508,2.757793378,2.333552793,2.103665929,1.434261437,1.13819786,0.703891815,1.905494399,1.732688804,1.38039848,1.249629723,0.98514962,0.642837259,0.437402881,0.239935937,3.579855395,3.251111141,2.801046473,2.405454588,2.170503705,1.532875831,1.248992929,0.843968245,1.851644675,1.658927954,1.293476445,1.134540686,0.872169478,0.498360474,0.286245753,0.071131628,3.678806976,3.40667277,2.990605708,2.704236987,2.453861513,1.938334766,1.692679144,1.386065256,1.699071004,1.437536405,1.028056381,0.76031856,0.507850768,0.013103715,0.227094845,0.518926281,3.596141152,3.277245194,2.832925839,2.457539916,2.21928824,1.604198672,1.328320651,0.943086542,1.817862235,1.61153621,1.237209358,1.058262671,0.797473648,0.401400221,0.184460032,0.043676133,3.728542862,3.481804456,3.081612082,2.838982085,2.583904049,2.117104612,1.883891039,1.61115243,1.653333987,1.367385901,0.942826128,0.631337262,0.384011185,0.159585447,0.413024629,0.740449356,3.614563434,3.273078764,2.926764837,2.591598066,2.28359558,1.664458627,1.391234133,1.074243835,1.801490145,1.595947827,1.131181397,0.917179462,0.698835067,0.311705363,0.088798639,0.190716901,0,0,0,2,0,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.333333333,0,0,0,0.288675135,0.204124145,0.144337567,0.19245009,0.136082763,0.096225045,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,6.14626437,3.436722277,2.460844421,0.976324744,0.535057239,0.288675135,0.19245009,0,0.768283046,0.490960325,0.351549203,0.195264949,0.13376431,0.096225045,0.096225045,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,6,2,0,2,0,0,0,0,0,0,0,0,3,0,2,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.508101852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.563611111,0,0,1.536388889,0.580555556,0,0.563611111,0,0,0,0,0,0,0,0,6.600185185,0,2.501388889,0,4.508101852,0,0.723657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.253472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.278541667,0,0,0.225625,0.290277778,0,0.278541667,0,0,0,0,0,0,0,0,2.199074074,0,1.234305556,0,2.253472222,0,0.723657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.285069444,0,0,0.290277778,0.290277778,0,0.285069444,0,0,0,0,0,0,0,0,2.200555556,0,1.267083333,0,2.25462963,0,0.723657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,1.791666667,0.290277778,2.25462963,0.225625,0.723657407,5.626772361,0.609675926,0.25462963,2.216574074,0.609675926,0.25462963,2.216574074,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.375,0.125,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.17167,0.89646,8.40872,1.23706,0.15463,3.25403,0.40675,3.77005,0.51602,0.0645,0.14395,0.01799,0.14395,0.01799,0,7,0,0,0,0,0,0,0.75,0.918295834,1.999218484,3.062907292,3.490601563,3.375814584,2.831015105,22.03910002,47.98124361,73.509775,83.77443751,81.01955001,67.94436251,0.200284263,0.436038132,0.668033226,0.761315182,0.73627965,0.617456545,3.666666667,2.585744017,1.522055209,1.094360938,1.209147917,1.753947396,0.200284263,0.436038132,0.668033226,0.761315182,0.73627965,0.617456545,6.73287657,15.72064472,18.97043007,19.40147106,18.02402731,15.37501851,31.59900002,20.72164002,17.22167917,16.35551406,18.37431094,18.07255677,8,5.142857143,7.2,8,2,7,2.34,1.1928,0.721124785,4.146039495,1.754410643,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,3.478,7,5,4,3,2,0,0,0,0,36,2.197224577,2.302585093,2.302585093,2.197224577,1.945910149,1.609437912,0,0,0,0,3.970291914,1.444444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,0,144.287877,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,112.1252005,4.671883355,14.66595917,1.833244896,0,0,0,79,5,4.311,28,1.215946755,2.114499011,2.917941684,3.635562545,4.872818092,5.807511068,6.809988528,7.774649382,0,0,74.76726526,75.51624541,70.17903159,78.28050217,111.8190051,96.57694989,43.57432826,7.89954135,0,0,279.808273,332.4504555,354.9202649,397.3576633,584.7778027,568.8487423,488.1459702,241.6652144,0,0,8.846799338,15.0412302,20.49422665,25.35743011,34.2363686,40.41921461,47.07188097,52.23370199,0,0,2.11521026,2.742266152,3.130123525,3.569235723,5.201455743,5.346332329,5.238573383,3.456709446,0,0,174.2266227,327.5587622,471.2714664,601.0145473,785.693288,965.4245737,1154.206821,1437.669909,0,0,2.701447037,3.890991659,5.085353861,5.741363871,7.78732822,8.760442876,10.11490826,7.774649382,0,0,0.438355445,0.578008474,0.667994824,0.765032698,1.111281901,1.153791651,1.152099781,0.796124097,0,0,373.1547102,176.3168405,10.17889062,84.18803996,-39.77912863,-5.490252042,288.9666702,216.0959692,15.66914266,0.815919155,0.385524512,0.022256591,0.184080845,-0.086978811,-0.012004677,170.6596014,80.63722875,4.655241829,38.50278972,-18.19269609,-2.510926968,0.120963639,0.185596294,1.81965515,1.149840376,457.3427502,0,1,0,454.9370545,21.32925349,7.691016986,615.130723,24.80182903,8.504637483,713.8574978,26.71811179,8.937248668,2.005106538,2.005106538,811.0272269,760.2260076,83.66719148,1.066823838,9.693491708,9.086309629,4.567625688,4.640276383,9.278210892,0.999495316,6.518299806,5.816393892,2.635278039,23.00701496,9.291236274,5.519219151,5.29751484,8.646657713,10.950804,2.994860365,2.712706674,6.776255767,1.294208004,6.012014212,0.536787645,3.970203632,4.35E-04,0.007306135,2.37E-23,1.48E-65,1.78E-129,4.14E-215,1.9E-322,0,0,0,0,0,0,0,0.547042814,5.809315416,0.216564082,7.157556945,0.71939085,0.393168021,0.831443782,0.999321256,3.259194127,0.257106359,0.098900953,0.457998281,0.046444579,1.163255278,0.003870614,0.08902244,3.06E-06,5.15E-05,1.67E-25,1.04E-67,1.26E-131,2.92E-217,0,0,0,0,0,0,0,0,1.765903669,5.809788565,0.702124047,8.325324301,1.393139641,1.31323666,1.728071161,1.645557274,4.257740446,0.802062851,0.401111017,1.42172313,0.190693113,1.774905838,0.039628338,0.448265359,3.19E-05,5.36E-04,1.74E-24,1.09E-66,1.31E-130,3.04E-216,1.5E-323,0,0,0,0,0,0,0,6.152743732,5.815616791,2.484322508,21.30532897,8.385839419,5.160736652,5.018801166,7.854885577,10.27776015,2.822347638,2.470856801,6.274140526,1.178748479,5.581422889,0.47833008,3.579423369,3.88E-04,0.006509635,2.11E-23,1.32E-65,1.59E-129,3.69E-215,1.7E-322,0,0,0,0,0,0,0,2.602613435,5.810401891,1.037865977,9.740827176,2.175118181,1.982326424,2.348029461,2.360785773,5.112894016,1.180278905,0.677253461,2.18007614,0.322509086,2.307045889,0.085856639,0.82343773,6.94E-05,0.001164761,3.77E-24,2.36E-66,2.84E-130,6.60E-216,3.0E-323,0,0,0,0,0,0,0,7.871789411,5.819661462,3.197472531,30.13803466,13.07569533,6.897237155,6.335488426,11.94566577,13.67233018,3.639171587,3.701084888,8.76629521,1.766066367,7.758167436,0.78256086,5.591008184,6.35E-04,0.010655312,3.45E-23,2.16E-65,2.60E-129,6.04E-215,2.7E-322,0,0,0,0,0,0,0,3.738031562,4.94736216,1.486124804,12.54126114,3.700884142,3.019411961,3.294068458,3.469588273,6.021104042,1.53818435,1.049678573,3.036068604,0.496235807,3.47480311,0.167584527,1.484213418,1.36E-04,0.002276005,7.37E-24,4.61E-66,5.55E-130,1.29E-215,5.9E-323,0,0,0,0,0,0,0,8.140840108,1.166773761,0.496710938,0.830331539,0.119006029,0.608013827,0.481436862,0.333649944,9.804324807,14.12171225,28.64405515,0.745497309,1.423100633,6.634611525,0.600281064,0.147832074,0.898667068,0.081308879,0.403641296,0.124314412,0.02867857,7.382724663,5.052180838,13.0236662,0.848000602,0.556634278,7.232781152,0.82462072,0.287103766,0.866771678,0.098821998,0.479800566,0.237097805,0.10991565,8.344505638,8.27761162,18.33449059,0.800157517,0.826814021,8.103545009,1.15269592,0.488131882,0.831612785,0.118293495,0.602448768,0.46964387,0.322088653,9.744372811,13.85918957,28.16316483,0.747419177,1.394181291,7.499435081,0.924940766,0.348835158,0.85481075,0.105427849,0.515875151,0.29962901,0.16309365,8.773211005,9.875251704,21.06816937,0.782216125,0.978597812,8.257602527,1.210859011,0.523556964,0.82641986,0.121182623,0.625602485,0.519337276,0.371154588,9.992018502,14.95607141,30.18302732,0.739629789,1.516094349,8.110335872,1.15443989,0.488131574,0.831581352,0.118368795,0.603464831,0.470964205,0.322003083,9.752907337,13.88532483,28.20855697,0.747372029,1.396432119 +UMLS0301,L,2-methyl-3-heptene,CCC/C=C/C(C)C,5357255,(trans) reported,UML,[1],C8H16,PubChem,,14,0,0.25,0.0625,32.391,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,996.821117,816.321412,629.639643,458.113154,278.543833,84.835296,9.144576,3399.790734,4147.41404,4921.543769,4412.085335,3457.856117,2711.614749,1974.971743,1061.424631,279.7536999,146.842108,144.889944,254.75666,299.367184,230.162988,188.231816,166.056868,123.32736,60.466176,25.74688067,32.32302034,42.44399096,40.53626858,31.73905822,25.38923089,19.70431086,12.01662072,4.001516144,3476.407621,2904.481805,5666.926698,7146.653976,5450.986064,4463.193657,4061.94931,3137.747111,1664.258868,36.75,43.25,63,67.25,51.75,40.5,34,24,9,48.76541633,51.7541979,27.68947547,18.98421888,19.07998918,16.96715385,11.60599304,4.713072,1.016064,161.8947969,207.370702,136.7095491,102.6066357,104.7835187,100.4301759,82.29048929,58.96803508,31.08374443,6.992481333,7.2444972,7.076573889,6.962027535,6.974636,6.971548741,6.919036167,6.85152,6.718464,1.226041937,1.616151017,1.178999749,0.942703921,0.961789643,0.940341885,0.821012953,0.66759004,0.444612905,165.54322,145.2240902,157.4146305,166.2012552,165.1813959,165.3034688,169.2478879,174.3192839,184.917652,1.75,2.1625,1.75,1.563953488,1.568181818,1.5,1.416666667,1.333333333,1,0.04378992,-0.00432406,-0.018952206,-1.71E-04,-0.003470449,-8.67E-04,0.00196673,-8.91E-04,0.004814006,564.9747087,-53.80711511,-201.7766817,13.45177878,-40.35533633,-80.71067267,-40.35533633,-2.74E-13,121.066009,1050.594596,-100.0566282,-375.2123557,25.01415705,-75.04247115,-150.0849423,-75.04247115,8.53E-14,225.1274134,0.110674667,-0.010540444,-0.039526667,0.002635111,-0.007905333,-0.015810667,-0.007905333,-6.81E-16,0.023716,4.696646663,-0.447299682,-1.677373808,0.111824921,-0.335474762,-0.670949523,-0.335474762,-3.25E-15,1.006424285,25.51225921,-2.429738973,-9.111521147,0.607434743,-1.822304229,-3.644608459,-1.822304229,-8.66E-15,5.466912688,3.30952381,-0.616213152,-0.816326531,0.068594104,-0.43877551,-0.421768707,0.289115646,-0.336734694,0.617346939,0.002085234,-2.16E-04,-5.26E-04,-3.97E-06,-1.05E-04,-3.21E-05,8.19E-05,-4.95E-05,5.35E-04,26.90355756,-2.690355756,-5.604907824,0.312832065,-1.22288898,-2.989284173,-1.681472347,-1.52E-14,13.45177878,50.0283141,-5.00283141,-10.42256544,0.581724583,-2.274014277,-5.558701566,-3.126769631,4.74E-15,25.01415705,0.005270222,-5.27E-04,-0.001097963,6.13E-05,-2.40E-04,-5.86E-04,-3.29E-04,-3.78E-17,0.002635111,0.223649841,-0.022364984,-0.046593717,0.00260058,-0.010165902,-0.024849982,-0.013978115,-1.80E-16,0.111824921,1.214869486,-0.121486949,-0.25309781,0.014126389,-0.05522134,-0.134985498,-0.075929343,-4.81E-16,0.607434743,0.157596372,-0.030810658,-0.022675737,0.001595212,-0.013296228,-0.015621063,0.012046485,-0.018707483,0.068594104,-0.103682831,-0.252465715,-0.001905311,-0.050433247,-0.015405572,0.039298749,-0.023732655,0.256512905,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,-5.65E-16,0.5,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,9.47E-17,0.5,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,-7.18E-15,0.5,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,-8.07E-16,0.5,-0.1,-0.208333333,0.011627907,-0.045454545,-0.111111111,-0.0625,-3.96E-16,0.5,-0.195503597,-0.143884892,0.010122135,-0.084368869,-0.099120703,0.076438849,-0.118705036,0.435251799,1.41336428,1.315405048,1.048229969,1.169634258,0.936844601,0.627285096,0.575361235,1.83E-05,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.5,1.30952381,0.897009967,0.974025974,1.031746032,0.892857143,0.714285714,0,1.586330935,1.175059952,0.966203781,1.052975801,0.923261391,0.692446043,1.007194245,0,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,29.9166057,14.95830285,23.75155022,29.9166057,4.273800814,14.95830382,5.33E-15,0.044143533,0.006306219,-2.184216194,27.61934484,3.945620691,2.322961499,33.17168758,16.51441522,26.3014442,33.06964677,4.724235253,16.51441542,-0.142857143,0.116346709,0.016620958,-1.505826475,25.42955888,3.632794125,2.265138563,0,11.89,12.11009426,-0.160379045,0.06103321,5.129862217,7.044812138,6,20,19,19,5,1,1,0,0,1,15.304898,3.512714711,3.139583825,2.695830913,2.127646664,1.603892564,1.293866965,0.750445195,0.083923071,1.881411882,1.688132795,1.36461443,1.024195326,0.737504923,0.580196965,0.260463024,0.083923071,3.536210819,3.177688002,2.74371253,2.195568475,1.695912636,1.404117954,0.886838218,0.270913902,1.824885,1.610768069,1.273564199,0.909034399,0.600543781,0.431493138,0.093362734,0.270913902,3.641919659,3.343968271,2.950852102,2.483468626,2.074126321,1.844897189,1.417618328,0.943918427,1.663488105,1.376801627,0.991273819,0.538339161,0.144047724,0.075582297,0.488946631,0.943918427,3.553648911,3.205711777,2.778854815,2.24513635,1.762410262,1.483022975,0.983553245,0.399277246,1.789305984,1.560910539,1.214285564,0.832954886,0.508909607,0.331203095,0.020172058,0.399277246,3.694803858,3.423801707,3.048807729,2.615655102,2.241467126,2.034313152,1.639142064,1.207644823,1.614766388,1.302097472,0.899047957,0.41249167,0.017322926,0.259974192,0.70662939,1.207644823,3.585030126,3.220752873,2.875375255,2.31583412,1.831438012,1.551166707,1.128381486,0.56,1.765443383,1.521948933,1.105288947,0.730438526,0.411032046,0.227901289,0.174074546,0.56,0,0,0,2,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,5.276020882,3.064043477,1.668327946,0.857710728,0.451184464,0.23570226,0.11785113,0,0.753717269,0.510673913,0.333665589,0.214427682,0.150394821,0.11785113,0.11785113,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,2,0,3,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.447916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.607013889,0,0,1.292986111,0.580555556,0,0.607013889,0,0,0,0,0,0,0,0,4.353333333,0,3.69875,0,4.447916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.211805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.225625,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.158888889,0,1.180555556,0,2.211805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.290277778,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.194444444,0,1.274305556,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.5,1.785714286,0.306319444,2.236111111,0.225625,1.180555556,4.908854167,0.319444444,0.236111111,1.6025,0.319444444,0.236111111,1.6025,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.28571,0,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.49934,0.78562,6.60412,1.10478,0.15783,2.87132,0.41019,3.41421,0.54289,0.07756,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.962815041,2.987090042,3.463280518,3.232101805,2.624632976,19.28421252,41.21911587,62.72889087,72.72889087,67.8741379,55.1172925,0.209068641,0.446874589,0.680071533,0.788485937,0.735853422,0.597550842,3.474021589,2.429502381,1.405227381,0.929036905,1.160215618,1.767684446,0.209068641,0.446874589,0.680071533,0.788485937,0.735853422,0.597550842,6.73287657,14.93125992,18.05729752,18.5372142,17.2573527,13.9508934,27.64912502,19.06805416,16.36502553,15.14260039,16.89724055,17.32556464,7,6,6,7,2,7,2.23,1.0519,0.166666667,3.838519496,0,0,5.676240019,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.207,5,4,3,2,1,0,0,0,0,28,2.079441542,2.079441542,2.079441542,1.945910149,1.609437912,1.098612289,0,0,0,0,3.713572067,1.428571429,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,0,126.9918924,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,98.10955045,4.671883355,12.83378878,1.833398397,0,0,0,56,4,3.807,22,1.211410561,2.106450707,2.886382006,3.689904143,5.043725113,5.985425106,7.225190584,8.220554693,0,0,73.50680381,66.40462893,66.85854202,89.78804091,99.8426227,81.27108351,36.37741479,8.352609684,0,0,276.4711003,311.663402,327.6617551,452.1964747,550.7351455,538.8891663,443.5881246,255.5256212,0,0,8.810654816,14.96264505,20.15455304,25.9254002,35.27664584,41.56934098,49.58719954,55.22950077,0,0,2.094876351,2.629990444,2.904261368,3.980070241,5.0230661,5.235462923,4.963666822,3.654964702,0,0,173.7721959,327.5084849,475.6183435,595.2586066,825.3370096,1001.053555,1252.826102,1520.125672,0,0,2.713354816,3.823348908,4.687015523,6.225070436,7.823058791,8.838167349,9.843177772,8.220554693,0,0,0.434324902,0.556372613,0.621141934,0.849068036,1.078138337,1.135547258,1.100094553,0.841784801,0,0,375.1678166,160.5890114,10.52277139,116.0769725,-49.68626156,-7.445178636,259.0908441,210.2752729,17.96795002,0.763708491,0.326902218,0.021420627,0.236291509,-0.10114359,-0.015155741,184.299235,78.88851504,5.169256612,57.0222079,-24.40811708,-3.657405209,0.132918988,0.206030955,1.984797174,1.587451949,491.2447891,0,1,0,394.755991,19.86846725,7.335722765,534.989339,23.12983655,8.117987456,577.1819225,24.02461077,8.326022372,2.31481498,2.31481498,681.2484983,659.6527064,37.42372153,1.032738124,18.20365454,17.62659296,4.050968836,4.649266941,9.26719961,0.993260384,5.730603857,4.942125418,2.687858202,18.73919926,8.393770915,1.602084974,4.480640001,5.661793695,10.02669382,0.093603915,1.396487314,7.044723639,1.951643516,4.751447218,0.002385714,3.696626302,7.93E-04,0.004428908,4.77E-24,9.91E-67,3.97E-131,3.07E-217,0,0,0,0,0,0,0,0,0.480937729,4.93680254,0.221595294,5.115732786,0.065707458,0.132797473,0.706239919,0.066817004,3.141726014,6.64E-04,0.07673075,0.504144842,0.044179413,1.119053793,1.69E-05,0.078908257,5.59E-06,3.12E-05,3.36E-26,6.98E-69,2.80E-133,2.16E-219,0,0,0,0,0,0,0,0,1.552506505,4.937158356,0.717957851,6.110247679,0.632984848,0.427239657,1.476362544,0.48475905,3.98148854,0.006881685,0.271059146,1.602329343,0.221429981,1.615565386,1.75E-04,0.407151432,5.82E-05,3.25E-04,3.50E-25,7.27E-68,2.91E-132,2.25E-218,0,0,0,0,0,0,0,0,5.409223058,4.941541059,2.534379783,17.27323777,7.48323599,1.510200887,4.249463239,5.0631064,9.405108292,0.083402535,1.289138294,6.560511293,1.759834731,4.442423976,0.002125699,3.330033413,7.07E-04,0.003946078,4.25E-24,8.83E-67,3.54E-131,2.73E-217,0,0,0,0,0,0,0,0,2.288104876,4.937619571,1.060789748,7.323347862,1.358712572,0.630989356,2.005120489,0.986666998,4.725899373,0.014936745,0.426746976,2.42653525,0.406084866,2.029131997,3.81E-04,0.754279982,1.26E-04,7.06E-04,7.60E-25,1.58E-67,6.33E-132,4.89E-218,0,0,0,0,0,0,0,0,6.920532299,4.94458254,3.25895324,24.88451821,12.22003309,1.944487846,5.33670918,8.169321472,12.55533552,0.136497676,1.82410302,8.932695795,2.747021947,5.994006571,0.003479005,5.218726241,0.001156739,0.006459147,6.96E-24,1.45E-66,5.79E-131,4.48E-217,0,0,0,0,0,0,0,0,3.224832455,4.453251223,1.554290324,9.463230247,2.657942006,0.85817913,2.873794961,1.885158419,5.594860161,0.029371506,0.611275364,3.472374804,0.67410649,3.004413645,7.49E-04,1.374933896,2.49E-04,0.001388906,1.50E-24,3.11E-67,1.25E-131,9.62E-218,0,0,0,0,0,0,0,0,8.239415401,0.797814353,0.373929455,0.87549421,0.084773229,0.602326532,0.61469179,0.47618233,9.411159208,9.952810257,21.82200366,0.813241316,1.693200652,6.645041133,0.301654092,0.080613294,0.945602589,0.042925978,0.391782663,0.087863543,0.022131317,7.027308519,2.564499837,9.753398015,0.918403884,0.501777523,7.278273904,0.498713779,0.197108953,0.912739616,0.062541728,0.470004376,0.240171955,0.132314251,7.974096636,5.162689381,13.85224726,0.869109425,0.842490582,8.1999431,0.785530909,0.366667773,0.876798416,0.08399476,0.596569562,0.595907803,0.457867064,9.352141782,9.7359925,21.44995462,0.815197624,1.650344429,7.560532238,0.586550968,0.249035862,0.900479397,0.069859773,0.507163474,0.332232587,0.211211571,8.396119069,6.463553397,15.96405624,0.850719096,1.050607632,8.36299266,0.836270512,0.396663841,0.871514826,0.087148486,0.620528825,0.67538432,0.535844959,9.595927013,10.64273922,23.01282372,0.807272239,1.831758104,8.209000478,0.78531685,0.36681315,0.876924053,0.083891241,0.597885472,0.595597927,0.458230209,9.361130478,9.745900271,21.47175276,0.815386079,1.651713608 +UMLS0302,L,trans-3-heptene,CCC/C=C/CC,5357259,Sandia values from averaged from the co-optima database (source their api report) and independent api report because I don't know which one is better use sandia values cause it is averaged ,Sandia,,C7H14,PubChem,,11.15,0,1.7873,3.19444129,38.2557,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1553.727681,1190.534525,836.642692,662.912715,236.216736,27.433728,0,3885.475125,4800.404174,6510.473121,6757.329631,5033.760223,3708.814733,2624.766494,839.2610996,0,167.819552,166.665724,297.557316,368.638772,433.736464,231.360492,249.049728,181.398528,0,29.42500648,37.33900896,53.15095396,60.26069992,49.42852668,33.74585244,28.04682987,12.00454843,0,3973.037281,3337.521256,6607.529635,8116.887462,10845.00702,5355.600751,6084.723595,4992.776605,0,43.8125,51,77,101.625,87,53.25,54,27,0,48.76541633,52.3287937,36.99351621,22.89489471,13.28004273,20.08826409,6.561576,1.016064,0,161.8947969,208.713225,155.0112648,129.9486467,79.90095593,112.3883252,72.9101804,31.08374443,0,6.992481333,7.246335826,7.084698,7.089207154,6.884705778,7.010924,6.918048,6.718464,0,1.226041937,1.623435172,1.265498904,1.158859614,0.784579789,1.022601589,0.779078607,0.444612905,0,165.54322,145.1096198,157.3221342,156.0939896,172.1429685,162.2909319,169.0200999,184.917652,0,1.825520833,2.217391304,1.833333333,1.954326923,1.380952381,1.613636364,1.5,1,0,0.044844854,-0.010623564,0.012568108,-0.03788059,0.003694648,0.006918645,-0.012043942,0.014944268,0,645.6853813,-53.80711511,121.066009,-632.2336026,282.4873543,-161.4213453,-242.132018,363.198027,0,1200.679538,-100.0566282,225.1274134,-1175.665381,525.297298,-300.1698846,-450.2548269,675.3822403,0,0.126485333,-0.010540444,0.023716,-0.123850222,0.055337333,-0.031621333,-0.047432,0.071148,0,5.367596186,-0.447299682,1.006424285,-5.255771265,2.348323331,-1.341899046,-2.01284857,3.019272855,0,29.15686767,-2.429738973,5.466912688,-28.54943293,12.75612961,-7.289216918,-10.93382538,16.40073807,0,4.4140625,-2.211914063,3.408203125,-4.55859375,0.475585938,0.758789063,-2.21484375,2.135742188,0,0.001868536,-4.62E-04,2.99E-04,-7.28E-04,5.86E-05,2.10E-04,-3.35E-04,5.53E-04,0,26.90355756,-2.339439787,2.882524024,-12.15833851,4.483926259,-4.891555919,-6.725889389,13.45177878,0,50.0283141,-4.350288182,5.36017651,-22.60894964,8.33805235,-9.096057109,-12.50707852,25.01415705,0,0.005270222,-4.58E-04,5.65E-04,-0.002381735,8.78E-04,-9.58E-04,-0.001317556,0.002635111,0,0.223649841,-0.019447812,0.023962483,-0.101072524,0.037274974,-0.040663607,-0.05591246,0.111824921,0,1.214869486,-0.105640825,0.130164588,-0.549027556,0.202478248,-0.220885361,-0.303717372,0.607434743,0,0.183919271,-0.096170177,0.081147693,-0.087665264,0.007548983,0.022993608,-0.061523438,0.079101563,0,-0.247195765,0.160147162,-0.389862999,0.031385648,0.11220333,-0.179046071,0.296216688,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.522893421,0.441213654,-0.476650783,0.041045091,0.125020113,-0.334513274,0.430088496,0,1.56984367,0.841352277,1.745243851,0.900476981,0.764514218,0.884534866,6.84E-05,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.953982301,0.523388116,1.822464261,0.721112516,0.66613033,1.302654867,0,0,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,41.00316563,20.38387448,30.33126575,40.82660313,5.103325392,20.38387449,-0.235416667,0.032330668,0.004041334,-2.745391211,28.4679372,3.558492149,2.679022755,0,11.89,12.11011416,-0.149688568,0.073477273,5.289964258,8.915857025,7,23,22,22,6,1,1,0,0,1,17.491312,3.608525249,3.172678437,2.546376756,2.333552793,2.333552793,1.649162724,0.931861667,0.397227612,1.926977994,1.691768739,1.249629723,1.249629723,1.223771434,0.745845398,0.297853528,0.083923071,3.62805891,3.207399753,2.594875763,2.405454588,2.405454588,1.737001366,1.043720584,0.517676886,1.876462459,1.616534954,1.134540686,1.134540686,1.131769859,0.612241829,0.137154653,0.270913902,3.717166224,3.361600155,2.80493764,2.704236987,2.704236987,2.100801284,1.505468079,0.962613738,1.735605573,1.392521097,0.845930253,0.76031856,0.76031856,0.168462082,0.409524018,0.943918427,3.64261803,3.23308843,2.630494224,2.457539916,2.457539916,1.800657489,1.124824707,0.601515278,1.844976609,1.5683208,1.071822459,1.058262671,1.058262671,0.52294106,0.028751002,0.399277246,3.76253871,3.437026821,2.904256772,2.838982085,2.838982085,2.262897523,1.70844532,1.207644823,1.694079099,1.322382864,0.752392054,0.631337262,0.631337262,0.012477532,0.606035431,1.138355086,3.631928453,3.239444411,2.725964702,2.566711365,2.566711365,1.849610427,1.216186754,0.587961665,1.850229889,1.544114669,0.960818414,0.939592721,0.939592721,0.445183779,0.09162322,0.542372881,0,0,0,2,0,4,1,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.366025404,0.288675135,0,0,0.75,0.780330086,0.707106781,0.5,0.520220057,0.471404521,6.621320344,3.560660172,3.664213562,1.280330086,0.707106781,0.530330086,0,0,0.827665043,0.508665739,0.40713484,0.256066017,0.176776695,0.176776695,0,0,6.36180732,3.23736354,3.176642621,0.853553391,0.471404521,0.353553391,0,0,0.795225915,0.462480506,0.352960291,0.170710678,0.11785113,0.11785113,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,56,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,1,0,2,0,0,0,0,0,0,0,0,4,0,1,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.451388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.545833333,0,0,1.263888889,0.290277778,0,0.545833333,0,0,0,0,0,0,0,0,8.7775,0,1.150069444,0,4.451388889,0,0,0,0,0,0,0,0.371041667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.208333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.260763889,0,0,0.243402778,0.290277778,0,0.260763889,0,0,0,0,0,0,0,0,2.155,0,1.150069444,0,2.208333333,0,0,0,0,0,0,0,0.371041667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.243055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.285069444,0,0,0.290277778,0.290277778,0,0.285069444,0,0,0,0,0,0,0,0,2.2075,0,1.150069444,0,2.243055556,0,0,0,0,0,0,0,0.371041667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.75,1.84375,0.290277778,2.243055556,0.090277778,0.371041667,5.683507569,0.878958333,0.243055556,2.457777778,0.878958333,0.243055556,2.457777778,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.5,0,0.125,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.90228,0.98779,9.21764,1.31536,0.16442,3.06066,0.38258,3.56066,0.5,0.0625,0.35334,0.04417,0.35334,0.04417,0,7,0,0,0,0,0,0,0.75,0.918295834,1.864005463,2.427694271,2.833333333,2.781453646,2.128947396,22.03910002,44.73613111,58.26466251,68,66.7548875,51.09473751,0.200284263,0.406547592,0.52949054,0.617962161,0.606646978,0.464332564,3.666666667,2.720957038,2.15726823,1.751629167,1.803508855,2.456015105,0.200284263,0.406547592,0.52949054,0.617962161,0.606646978,0.464332564,6.73287657,14.09808847,17.06848793,16.56128655,15.9387303,12.56751084,31.59900002,23.1652494,19.67619063,20.65400989,21.80513802,17.16829583,8,3.111111111,7.2,8,2,6,2.34,1.1928,1.897366596,4.669630297,0,2.828427125,2.381101578,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.158,0.135,0.148,0.155,3.294,9,5,4,3,0,0,0,0,0,36,2.197224577,2.48490665,2.397895273,2.197224577,1.945910149,0,0,0,0,0,3.951243719,1.416666667,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,3,5,0.666666667,3,0.666666667,0.375,0.24,0,0,0,0,0,0,0.428571429,0.074074074,0.075,0.06,0,0,0,0,0,0,0.637645503,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,0,144.287877,4,3.496507561,4.110873864,4.934473933,5.579729826,6.408528791,7.065613364,7.89469085,8.556990661,9.385721231,72.43313008,2.708050201,0,3.931825633,0,5.303304908,0,6.736966958,0,8.201111644,8.467792841,112.1252005,4.671883355,14.44048295,1.805060369,0,0,0,71,5,4.154,32,1.217210781,2.117752823,2.995875407,3.605947098,4.432247711,4.722470144,5.876038102,0,0,0,75.14869748,91.05673146,74.76917843,52.09518958,96.49865781,35.46436929,5.970430778,0,0,0,280.8087496,364.2659525,407.2246913,304.7840712,508.4375776,378.0873889,182.6492666,0,0,0,8.856967766,15.08391117,21.28005908,24.88239166,31.05311399,32.83142199,39.47795045,0,0,0,2.121259223,2.89869872,3.581953088,2.945027158,4.561773173,3.949227664,2.61256237,0,0,0,174.3472337,327.4159009,464.6251106,616.3986357,721.4809634,785.3564734,1086.583169,0,0,0,2.769300262,4.12264479,5.98112353,5.123873946,7.167303675,7.487412081,5.876038102,0,0,0,0.439552267,0.607474051,0.76229944,0.639704388,0.976470086,0.864036953,0.601706302,0,0,0,327.671779,150.4488956,9.209355637,60.88458923,-27.95486154,-3.921241357,266.7871897,178.4037572,13.13059699,0.843305646,0.387199665,0.023701466,0.156694354,-0.071945447,-0.010091821,127.3189564,58.45787649,3.578353779,23.65709487,-10.86203947,-1.523623301,0.125070705,0.190985346,2.349030333,1.89796918,388.5563682,0,1,0,449.4331053,21.19983739,7.65987507,610.2642511,24.7035271,8.482150553,772.8825105,27.80076457,9.177079485,1.621927765,1.617651337,491.6242217,477.4943845,135.1001828,1.02959163,3.638960448,3.534372602,4.211898158,4.636382911,7.239471532,0.561448153,6.790289757,5.579470662,3.548042508,14.59328642,10.98152623,15.42062854,5.913733168,2.305345595,9.349345812,5.325857384,2.169223499,3.678327741,1.138125676,0.001577641,7.75E-26,9.86E-70,2.47E-135,1.19E-222,0,0,0,0,0,0,0,0,0,0,0,0,0.569865516,5.563298366,0.241012079,7.743859902,0.6559786,1.225226603,0.385318113,0.677826319,0.649802092,0.208468332,0.441530741,0.288075787,0.008470064,1.11E-05,5.46E-28,6.95E-72,1.74E-137,8.39E-225,0,0,0,0,0,0,0,0,0,0,0,0,1.839586719,5.564379159,0.815410915,8.294332048,1.772494996,3.966324623,1.138300099,0.964629336,2.185934601,0.830111665,0.55697845,0.943531274,0.084698789,1.16E-04,5.69E-27,7.24E-71,1.81E-136,8.74E-224,0,0,0,0,0,0,0,0,0,0,0,0,6.409479842,5.577695131,3.309986587,13.87410183,9.998768266,14.49623659,5.442453268,2.189646056,8.731992883,4.862957683,1.979537916,3.457842676,1.014362197,0.00140565,6.91E-26,8.79E-70,2.20E-135,1.06E-222,0,0,0,0,0,0,0,0,0,0,0,0,2.711210519,5.565780348,1.239598792,8.923896325,2.83324086,5.894466458,1.766688012,1.174993299,3.311592469,1.382425474,0.706662603,1.404338481,0.182859525,2.52E-04,1.24E-26,1.57E-70,3.93E-136,1.90E-223,0,0,0,0,0,0,0,0,0,0,0,0,8.200257467,5.586936501,4.469879702,17.59658036,15.01835669,18.90609255,7.809493875,2.751968349,11.73137932,7.209645274,2.96682582,4.509372853,1.658368018,0.002300841,1.13E-25,1.44E-69,3.60E-135,1.74E-222,0,0,0,0,0,0,0,0,0,0,0,0,3.861171779,4.440066355,1.760617334,10.71060435,4.198496037,8.401564316,2.717921618,1.389916258,4.384402428,2.220176743,1.016955257,2.085193063,0.336538279,4.64E-04,2.28E-26,2.90E-70,7.26E-136,3.50E-223,0,0,0,0,0,0,0,0,0,0,0,0,4.832628966,1.152678746,1.023593218,0.689498826,0.164459272,0.502864911,0.445086687,0.378575301,7.00890093,11.69698908,24.40778399,0.53424824,1.326526899,3.718957342,0.679975366,0.53935851,0.753085871,0.137694465,0.298772653,0.155976072,0.10511206,4.938291219,4.901401174,11.20362186,0.629628806,0.559860785,4.16103677,0.867952599,0.731680819,0.722318174,0.150668684,0.373444756,0.253442309,0.193437565,5.760670187,7.291197734,15.69439369,0.583477261,0.82032463,4.805036313,1.140997223,1.011604931,0.690613106,0.163992025,0.497167713,0.436187372,0.36975951,6.957638468,11.49756994,24.00136592,0.535919659,1.303114595,4.358197439,0.951634115,0.817406787,0.711282505,0.155312077,0.409439492,0.304285979,0.241420395,6.127238341,8.487701715,18.00506062,0.566923758,0.955145867,4.919019887,1.189244783,1.061125344,0.686114143,0.165878098,0.520913101,0.473514984,0.406846751,7.169390014,12.33155319,25.70844023,0.529171215,1.401274835,4.80847599,1.142728083,1.01284708,0.69047109,0.164089559,0.497900048,0.437564921,0.370668122,6.964051154,11.52244022,24.05186381,0.535706635,1.306133091 +UMLS0303,L,"cis-2,2-dimethyl-3-hexene",CC/C=C\C(C)(C)C,5357260,Sandia values from independent api report ,Sandia,,C8H16,PubChem,,12.7,0,1.7873,3.19444129,38.2557,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1553.727681,1190.534525,836.642692,662.912715,236.216736,27.433728,0,3885.475125,4800.404174,6510.473121,6757.329631,5033.760223,3708.814733,2624.766494,839.2610996,0,167.819552,166.665724,297.557316,368.638772,433.736464,231.360492,249.049728,181.398528,0,29.42500648,37.33900896,53.15095396,60.26069992,49.42852668,33.74585244,28.04682987,12.00454843,0,3973.037281,3337.521256,6607.529635,8116.887462,10845.00702,5355.600751,6084.723595,4992.776605,0,43.8125,51,77,101.625,87,53.25,54,27,0,48.76541633,52.3287937,36.99351621,22.89489471,13.28004273,20.08826409,6.561576,1.016064,0,161.8947969,208.713225,155.0112648,129.9486467,79.90095593,112.3883252,72.9101804,31.08374443,0,6.992481333,7.246335826,7.084698,7.089207154,6.884705778,7.010924,6.918048,6.718464,0,1.226041937,1.623435172,1.265498904,1.158859614,0.784579789,1.022601589,0.779078607,0.444612905,0,165.54322,145.1096198,157.3221342,156.0939896,172.1429685,162.2909319,169.0200999,184.917652,0,1.825520833,2.217391304,1.833333333,1.954326923,1.380952381,1.613636364,1.5,1,0,0.044844854,-0.010623564,0.012568108,-0.03788059,0.003694648,0.006918645,-0.012043942,0.014944268,0,645.6853813,-53.80711511,121.066009,-632.2336026,282.4873543,-161.4213453,-242.132018,363.198027,0,1200.679538,-100.0566282,225.1274134,-1175.665381,525.297298,-300.1698846,-450.2548269,675.3822403,0,0.126485333,-0.010540444,0.023716,-0.123850222,0.055337333,-0.031621333,-0.047432,0.071148,0,5.367596186,-0.447299682,1.006424285,-5.255771265,2.348323331,-1.341899046,-2.01284857,3.019272855,0,29.15686767,-2.429738973,5.466912688,-28.54943293,12.75612961,-7.289216918,-10.93382538,16.40073807,0,4.4140625,-2.211914063,3.408203125,-4.55859375,0.475585938,0.758789063,-2.21484375,2.135742188,0,0.001868536,-4.62E-04,2.99E-04,-7.28E-04,5.86E-05,2.10E-04,-3.35E-04,5.53E-04,0,26.90355756,-2.339439787,2.882524024,-12.15833851,4.483926259,-4.891555919,-6.725889389,13.45177878,0,50.0283141,-4.350288182,5.36017651,-22.60894964,8.33805235,-9.096057109,-12.50707852,25.01415705,0,0.005270222,-4.58E-04,5.65E-04,-0.002381735,8.78E-04,-9.58E-04,-0.001317556,0.002635111,0,0.223649841,-0.019447812,0.023962483,-0.101072524,0.037274974,-0.040663607,-0.05591246,0.111824921,0,1.214869486,-0.105640825,0.130164588,-0.549027556,0.202478248,-0.220885361,-0.303717372,0.607434743,0,0.183919271,-0.096170177,0.081147693,-0.087665264,0.007548983,0.022993608,-0.061523438,0.079101563,0,-0.247195765,0.160147162,-0.389862999,0.031385648,0.11220333,-0.179046071,0.296216688,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.086956522,0.107142857,-0.451923077,0.166666667,-0.181818182,-0.25,0.5,0,-0.522893421,0.441213654,-0.476650783,0.041045091,0.125020113,-0.334513274,0.430088496,0,1.56984367,0.841352277,1.745243851,0.900476981,0.764514218,0.884534866,6.84E-05,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.5,1.026785714,1.575721154,0.616071429,1.176136364,1.078125,0,0,1.953982301,0.523388116,1.822464261,0.721112516,0.66613033,1.302654867,0,0,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,33.11812606,16.55906303,24.91478999,33.11812606,4.139765758,16.55906323,2.13E-14,0.122762826,0.015345353,-1.67800082,43.65304646,5.456630808,3.021018458,41.00316563,20.38387448,30.33126575,40.82660313,5.103325392,20.38387449,-0.235416667,0.032330668,0.004041334,-2.745391211,28.4679372,3.558492149,2.679022755,0,11.89,12.11011416,-0.149688568,0.073477273,5.289964258,8.915857025,7,23,22,22,6,1,1,0,0,1,17.491312,3.608525249,3.172678437,2.546376756,2.333552793,2.333552793,1.649162724,0.931861667,0.397227612,1.926977994,1.691768739,1.249629723,1.249629723,1.223771434,0.745845398,0.297853528,0.083923071,3.62805891,3.207399753,2.594875763,2.405454588,2.405454588,1.737001366,1.043720584,0.517676886,1.876462459,1.616534954,1.134540686,1.134540686,1.131769859,0.612241829,0.137154653,0.270913902,3.717166224,3.361600155,2.80493764,2.704236987,2.704236987,2.100801284,1.505468079,0.962613738,1.735605573,1.392521097,0.845930253,0.76031856,0.76031856,0.168462082,0.409524018,0.943918427,3.64261803,3.23308843,2.630494224,2.457539916,2.457539916,1.800657489,1.124824707,0.601515278,1.844976609,1.5683208,1.071822459,1.058262671,1.058262671,0.52294106,0.028751002,0.399277246,3.76253871,3.437026821,2.904256772,2.838982085,2.838982085,2.262897523,1.70844532,1.207644823,1.694079099,1.322382864,0.752392054,0.631337262,0.631337262,0.012477532,0.606035431,1.138355086,3.631928453,3.239444411,2.725964702,2.566711365,2.566711365,1.849610427,1.216186754,0.587961665,1.850229889,1.544114669,0.960818414,0.939592721,0.939592721,0.445183779,0.09162322,0.542372881,0,0,0,2,0,4,1,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.366025404,0.288675135,0,0,0.75,0.780330086,0.707106781,0.5,0.520220057,0.471404521,6.621320344,3.560660172,3.664213562,1.280330086,0.707106781,0.530330086,0,0,0.827665043,0.508665739,0.40713484,0.256066017,0.176776695,0.176776695,0,0,6.36180732,3.23736354,3.176642621,0.853553391,0.471404521,0.353553391,0,0,0.795225915,0.462480506,0.352960291,0.170710678,0.11785113,0.11785113,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,56,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,1,0,2,0,0,0,0,0,0,0,0,4,0,1,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.451388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.545833333,0,0,1.263888889,0.290277778,0,0.545833333,0,0,0,0,0,0,0,0,8.7775,0,1.150069444,0,4.451388889,0,0,0,0,0,0,0,0.371041667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.208333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.260763889,0,0,0.243402778,0.290277778,0,0.260763889,0,0,0,0,0,0,0,0,2.155,0,1.150069444,0,2.208333333,0,0,0,0,0,0,0,0.371041667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.243055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.285069444,0,0,0.290277778,0.290277778,0,0.285069444,0,0,0,0,0,0,0,0,2.2075,0,1.150069444,0,2.243055556,0,0,0,0,0,0,0,0.371041667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.75,1.84375,0.290277778,2.243055556,0.090277778,0.371041667,5.683507569,0.878958333,0.243055556,2.457777778,0.878958333,0.243055556,2.457777778,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.5,0,0.125,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.90228,0.98779,9.21764,1.31536,0.16442,3.06066,0.38258,3.56066,0.5,0.0625,0.35334,0.04417,0.35334,0.04417,0,7,0,0,0,0,0,0,0.75,0.918295834,1.864005463,2.427694271,2.833333333,2.781453646,2.128947396,22.03910002,44.73613111,58.26466251,68,66.7548875,51.09473751,0.200284263,0.406547592,0.52949054,0.617962161,0.606646978,0.464332564,3.666666667,2.720957038,2.15726823,1.751629167,1.803508855,2.456015105,0.200284263,0.406547592,0.52949054,0.617962161,0.606646978,0.464332564,6.73287657,14.09808847,17.06848793,16.56128655,15.9387303,12.56751084,31.59900002,23.1652494,19.67619063,20.65400989,21.80513802,17.16829583,8,3.111111111,7.2,8,2,6,2.34,1.1928,1.897366596,4.669630297,0,2.828427125,2.381101578,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.158,0.135,0.148,0.155,3.294,9,5,4,3,0,0,0,0,0,36,2.197224577,2.48490665,2.397895273,2.197224577,1.945910149,0,0,0,0,0,3.951243719,1.416666667,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,3,5,0.666666667,3,0.666666667,0.375,0.24,0,0,0,0,0,0,0.428571429,0.074074074,0.075,0.06,0,0,0,0,0,0,0.637645503,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,0,144.287877,4,3.496507561,4.110873864,4.934473933,5.579729826,6.408528791,7.065613364,7.89469085,8.556990661,9.385721231,72.43313008,2.708050201,0,3.931825633,0,5.303304908,0,6.736966958,0,8.201111644,8.467792841,112.1252005,4.671883355,14.44048295,1.805060369,0,0,0,71,5,4.154,32,1.217945032,2.118309109,2.988534059,3.586385076,4.70202284,5.615572394,6.231474973,0,0,0,75.0527386,90.47379026,75.65693944,58.83221103,108.4286031,38.59879144,6.331577387,0,0,0,280.6480202,362.8792519,407.3428702,320.9540484,576.734492,422.6450593,193.6975755,0,0,0,8.861858398,15.08552538,21.22260821,24.77882664,33.1087118,38.91184648,41.86594028,0,0,0,2.120747679,2.89117698,3.574067936,3.031052843,5.128492109,4.480627572,2.770594189,0,0,0,174.480552,327.6558426,463.9835018,610.9274919,752.3009265,944.1226872,1152.309721,0,0,0,2.769668515,4.116254506,5.948408572,5.140566243,7.940429984,8.581304907,6.231474973,0,0,0,0.439472628,0.606029277,0.760391145,0.65608669,1.095096501,0.983119407,0.638103037,0,0,0,360.8990955,165.7050556,9.671835058,103.2459227,-47.40486076,-5.767889906,257.6531727,213.1099164,15.43972496,0.777556758,0.357011385,0.020837959,0.222443242,-0.102133727,-0.012426913,167.5095172,76.91117605,4.489134059,47.92108069,-22.00272996,-2.677137365,0.125070705,0.190985346,2.017011911,1.045084295,464.1450182,0,1,0,451.2138043,21.24179381,7.669978136,611.3979928,24.72646341,8.487399984,757.7676916,27.52758056,9.116861591,1.744369847,1.744369847,570.7572562,559.9221655,128.8573202,1.019351066,4.429373939,4.345287985,4.399293951,4.627870394,8.068049582,0.743361178,6.513838744,5.59877393,1.846724123,20.65423845,7.809247666,11.29530975,4.995005184,9.700033169,10.00412733,5.80687174,3.972450907,5.922452309,0.37136852,0.170796499,0.62934571,7.89E-09,1.91E-38,8.89E-90,7.99E-163,1.39E-257,0,0,0,0,0,0,0,0,0,0,0.546667803,5.58984018,0.149843149,9.045089442,1.219210002,0.809220379,0.886065669,2.081637867,2.291570227,0.504732883,0.159401969,0.244365944,0.028623406,0.001203188,0.004432533,5.55E-11,1.34E-40,6.26E-92,5.63E-165,9.76E-260,0,0,0,0,0,0,0,0,0,0,1.764694607,5.590437302,0.487098582,9.960603323,1.889918179,2.701679287,1.6711555,2.780540155,3.236683683,1.565454108,0.626312812,0.95193601,0.094075486,0.01253615,0.046190414,5.79E-10,1.40E-39,6.52E-91,5.86E-164,1.02E-258,0,0,0,0,0,0,0,0,0,0,6.148532815,5.597793136,1.739618001,19.4291007,7.167209029,10.56563336,4.724485511,8.930754251,9.309385695,5.474651967,3.62885092,5.415136436,0.348790597,0.152176781,0.560735697,7.03E-09,1.70E-38,7.92E-90,7.12E-163,1.23E-257,0,0,0,0,0,0,0,0,0,0,2.600831824,5.591211365,0.721320044,11.02084538,2.550599156,4.074422054,2.226019603,3.514530631,4.072292158,2.300007097,1.039297654,1.571705057,0.140345253,0.027229567,0.100331752,1.26E-09,3.04E-39,1.42E-90,1.27E-163,2.21E-258,0,0,0,0,0,0,0,0,0,0,7.866402174,5.602898002,2.246950814,25.77447323,10.45734156,14.09657873,6.018160571,12.89223129,12.82917076,7.045591492,5.369734341,7.982150506,0.456775767,0.249089813,0.917841571,1.15E-08,2.78E-38,1.30E-89,1.17E-162,2.02E-257,0,0,0,0,0,0,0,0,0,0,3.714272416,4.440028741,0.983007901,13.51864201,3.745376171,6.111100964,2.806403141,4.259087631,4.65798941,3.135417512,1.360100907,2.511522335,0.208759437,0.050243896,0.185133584,2.32E-09,5.61E-39,2.61E-90,2.35E-163,4.08E-258,0,0,0,0,0,0,0,0,0,0,5.640245403,1.207192157,0.999621857,0.718771849,0.153840068,0.54781302,0.567195281,0.372895314,7.847059417,13.65370826,28.30705297,0.578157773,1.487903615,4.467378549,0.626363248,0.526213866,0.794913486,0.111453415,0.344785608,0.152066434,0.103333232,5.619955663,5.478599304,12.57100752,0.692370229,0.600185275,4.93296835,0.857284481,0.714236154,0.758394451,0.131798898,0.419774456,0.285546237,0.190370258,6.504488985,8.364565123,17.88952824,0.637591676,0.895690951,5.611186678,1.192834316,0.987901609,0.720128647,0.153086007,0.542216765,0.553763541,0.364202418,7.791922603,13.41491931,27.81908079,0.58019297,1.460182723,5.140606608,0.960109859,0.798045426,0.745149157,0.139171329,0.455596334,0.358408756,0.237667975,6.898761893,9.804195959,20.64174863,0.617723735,1.051673065,5.731226663,1.252136573,1.036314824,0.714645478,0.156133022,0.565520716,0.610274584,0.400773374,8.01967806,14.41324136,29.86980323,0.571968217,1.576568673,5.612612093,1.193472261,0.989112001,0.720009072,0.153103553,0.54244005,0.554386362,0.365095417,7.795196355,13.43047656,27.85123653,0.580013608,1.461921828 +UMLS0304,L,"2,2-dimethyl-3-hexene",CC/C=C/C(C)(C)C,5357261,(cis) reported; RON from [9],UML,"[1], [9]",C8H16,PubChem,,18,0,0.3502,0.12264004,35.1364,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1190.529654,1024.169165,840.535588,646.827051,450.070322,264.404617,81.787104,3885.475125,4800.404174,5835.09088,5502.536552,4641.558567,3728.011456,2721.213111,1798.067638,968.1733981,167.819552,166.665724,297.486168,362.651252,313.602448,270.87294,207.98804,145.502308,103.171968,29.42500648,37.33900896,50.13168111,50.22672885,42.7633572,35.07566706,26.0541382,17.70154074,10.682782,3973.037281,3337.521256,6591.128897,8593.814026,7452.899071,6528.696872,5049.741717,3538.991458,2582.994154,41,48.75,71.5,77.75,67,58,45,31.5,21,48.76541633,52.3287937,28.34594414,19.69556087,18.67856862,16.585309,15.00234407,12.59069605,5.4524736,161.8947969,208.713225,138.9307352,105.8180106,103.1457459,95.59003733,90.70710369,85.62226847,64.54489321,6.992481333,7.246335826,7.083004,6.974062538,6.968943289,6.94546,6.932934667,6.928681333,6.8781312,1.226041937,1.623435172,1.193611455,0.965898632,0.950296827,0.899376078,0.868471273,0.842930512,0.712185467,165.54322,145.1096198,156.9316404,165.2656544,165.6199794,167.4024839,168.3247239,168.5234028,172.1996103,1.708333333,2.119565217,1.702380952,1.495192308,1.488888889,1.487179487,1.5,1.5,1.4,0.048481871,-0.002709104,-0.024462217,-0.002909332,0.001969961,0.002709864,-0.001385018,-0.002710404,-3.63E-04,645.6853813,-53.80711511,-242.132018,-26.90355756,-40.35533633,-2.74E-13,-2.17E-13,-40.35533633,-40.35533633,1200.679538,-100.0566282,-450.2548269,-50.0283141,-75.04247115,1.42E-13,1.42E-13,-75.04247115,-75.04247115,0.126485333,-0.010540444,-0.047432,-0.005270222,-0.007905333,-7.38E-16,-7.24E-16,-0.007905333,-0.007905333,5.367596186,-0.447299682,-2.01284857,-0.223649841,-0.335474762,-2.69E-15,-2.69E-15,-0.335474762,-0.335474762,29.15686767,-2.429738973,-10.93382538,-1.214869486,-1.822304229,2.73E-14,2.73E-14,-1.822304229,-1.822304229,3.5,-0.3125,-1,-0.375,-0.1875,0.1875,0,-0.0625,-0.5625,0.002020078,-1.18E-04,-5.82E-04,-5.59E-05,4.38E-05,6.95E-05,-4.62E-05,-1.29E-04,-2.42E-05,26.90355756,-2.339439787,-5.765048048,-0.517376107,-0.896785252,-7.01E-15,-7.22E-15,-1.921682683,-2.690355756,50.0283141,-4.350288182,-10.72035302,-0.962082963,-1.66761047,3.64E-15,4.74E-15,-3.573451007,-5.00283141,0.005270222,-4.58E-04,-0.001129333,-1.01E-04,-1.76E-04,-1.89E-17,-2.41E-17,-3.76E-04,-5.27E-04,0.223649841,-0.019447812,-0.047924966,-0.004300958,-0.007454995,-6.90E-17,-8.97E-17,-0.015974989,-0.022364984,1.214869486,-0.105640825,-0.260329176,-0.023362875,-0.04049565,7.00E-16,9.10E-16,-0.086776392,-0.121486949,0.145833333,-0.013586957,-0.023809524,-0.007211538,-0.004166667,0.004807692,0,-0.00297619,-0.0375,-0.058308203,-0.28832241,-0.027696304,0.021670904,0.034396537,-0.022854204,-0.063892023,-0.011994419,-0.086956522,-0.214285714,-0.019230769,-0.033333333,-2.61E-16,-2.69E-16,-0.071428571,-0.1,-0.086956522,-0.214285714,-0.019230769,-0.033333333,7.28E-17,9.47E-17,-0.071428571,-0.1,-0.086956522,-0.214285714,-0.019230769,-0.033333333,-3.59E-15,-4.58E-15,-0.071428571,-0.1,-0.086956522,-0.214285714,-0.019230769,-0.033333333,-3.09E-16,-4.01E-16,-0.071428571,-0.1,-0.086956522,-0.214285714,-0.019230769,-0.033333333,5.76E-16,7.49E-16,-0.071428571,-0.1,-0.093167702,-0.163265306,-0.049450549,-0.028571429,0.032967033,0,-0.020408163,-0.257142857,1.384171883,1.386403607,0.982155294,0.872996103,0.858948664,1.004375454,1.026454596,0.690323846,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.334821429,0.953725962,0.958333333,0.884615385,0.8625,0.924107143,0.8625,1.5,1.153911565,0.900412088,0.876190476,0.884615385,1.013095238,1.056122449,1.314285714,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,40.51657403,20.25828702,32.65285511,40.51657403,5.064571754,20.25828702,2.49E-14,0.081326103,0.010165763,-2.007430591,33.05675448,4.132094311,2.798580734,47.14902419,23.49117876,38.74380497,47.02402419,5.878003023,23.49117876,-0.166666667,0.171637148,0.021454644,-1.409898108,43.9995647,5.499945587,3.027343793,0,11.89,12.11011416,-0.181126041,0.043400338,5.117889282,7.339208173,7,23,22,22,6,1,1,0,0,1,17.491312,3.516410379,3.260192645,2.823237318,2.344112785,1.920737629,1.494056811,1.172188343,0.765552708,1.901938035,1.72467367,1.474847659,1.164158257,0.882472781,0.674819937,0.537244778,0.264948938,3.54138316,3.291623903,2.869140784,2.405337091,1.995042692,1.591223913,1.292051298,0.900237444,1.843800879,1.65715269,1.384863832,1.057160999,0.760994059,0.53404755,0.382288668,0.098420393,3.65314551,3.429835184,3.069028381,2.666187107,2.307265261,1.988228,1.764958626,1.426151911,1.675814026,1.457393086,1.108296945,0.716211496,0.366260137,0.061177417,0.150663185,0.481037356,3.559889259,3.314785609,2.90289955,2.450078683,2.049119366,1.661310387,1.377423667,0.995868659,1.807023717,1.614042512,1.326467596,0.986753469,0.680473159,0.439587027,0.277483129,0.014673394,3.708637808,3.49702726,3.164338757,2.786888017,2.449121696,2.162581267,1.965546246,1.646282426,1.624538704,1.394834473,1.018829109,0.601637524,0.230713349,0.107394532,0.346721507,0.697172227,3.600434656,3.346254527,2.951277354,2.538830202,2.133102629,1.731107366,1.460951897,1.156437592,1.8127061,1.529787877,1.240841402,0.887362892,0.564358143,0.329985093,0.163977797,0.182051654,0,0,0,2,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.983127663,3.526038674,2.06481751,1.210046463,0.678855364,0.345522031,0.166666667,0.083333333,0.747890958,0.503719811,0.344136252,0.242009293,0.169713841,0.11517401,0.083333333,0.083333333,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,2,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.3525,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.621425737,0,0,1.188296485,0.580555556,0,0.621425737,0,0,0,0,0,0,0,0,4.307148526,0,5.340351474,0,4.3525,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.120694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.299375,0,0,0.212046485,0.290277778,0,0.299375,0,0,0,0,0,0,0,0,2.075342971,0,1.268194444,0,2.120694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.231805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.322050737,0,0,0.290277778,0.290277778,0,0.322050737,0,0,0,0,0,0,0,0,2.231805556,0,1.379305556,0,2.231805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,1.75,0.322050737,2.231805556,0.212046485,1.268194444,5.653437574,0.231805556,0.231805556,1.319297052,0.231805556,0.231805556,1.319297052,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.25,0,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,6.82804,0.85351,7.95768,1.12964,0.1412,3.31066,0.41383,3.91421,0.60355,0.07544,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,0.75,0.918295834,1.999218484,3.375814584,3.772055209,3.569773835,3.720175521,22.03910002,47.98124361,81.01955001,90.52932501,85.67457204,89.28421252,0.200284263,0.436038132,0.73627965,0.822701431,0.778582995,0.811386248,3.666666667,2.585744017,1.209147917,0.812907292,1.015188666,0.864786979,0.200284263,0.436038132,0.73627965,0.822701431,0.778582995,0.811386248,6.73287657,15.72064472,20.20180045,19.68512709,19.48126286,20.54885602,31.59900002,20.72164002,15.6149125,15.48446146,16.11929522,14.59924844,8,7,7.2,8,2,8,2.34,1.1928,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.088,0.227,0.176,3.706,6,5,4,3,2,1,0,0,0,36,2.197224577,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.098612289,0,0,0,3.891820298,1.333333333,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,144.287877,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,112.1252005,4.671883355,14.83110795,1.853888494,0,0,0,84,5,4.481,26,1.214695529,2.111945447,2.890910851,3.665440761,4.990109129,6.006152083,7.370909735,8.438665012,9.588969782,0,74.5933221,68.0718588,69.58804184,88.00655921,98.1782477,106.8737678,104.4119235,49.34964263,9.743006993,0,279.2936939,317.2677931,338.4579146,444.296818,524.2348198,603.5612564,672.0789697,569.849578,298.0610861,0,8.83738545,15.01464886,20.22071259,25.73630681,34.77855048,41.81726696,51.19503365,58.16238194,64.42314828,0,2.111803926,2.667692274,2.980061953,3.919154029,4.786001283,5.607931973,6.48699798,6.211221596,4.263379709,0,174.0666666,327.398684,473.7153923,592.6399598,826.5406417,997.6085753,1232.763991,1443.565514,1773.169778,0,2.665749658,3.716822622,4.465166697,5.853435776,7.7151763,9.449575905,11.39625294,12.11509912,9.588969782,0,0.437667648,0.563959776,0.636465528,0.836466269,1.028379031,1.208246004,1.40577741,1.36999663,0.981910506,0,400.7851485,194.2384688,11.52400639,136.6758392,-66.23924524,-8.588873489,264.1093092,260.4777141,20.11287988,0.745700912,0.361400126,0.021441568,0.254299088,-0.12324475,-0.015980459,215.4063818,104.3955993,6.193703855,73.45793156,-35.60101018,-4.616184429,0.117378848,0.187832664,1.939705421,1.724868522,537.4609877,0,1,0,457.3043075,21.38467459,7.704333915,617.5192792,24.84993519,8.515631118,685.4891933,26.18184855,8.817257771,2.666538324,2.666538324,996.2402226,972.1586574,43.03756903,1.024771229,23.14815277,22.58860524,4.408184612,5.629392626,10.25412949,0.821533897,6.527620259,5.867475719,3.030818259,25.37174629,11.08076802,2.477007622,4.345057893,7.261414028,13.36376305,1.407510802,1.688206602,6.228936953,3.695635307,4.532832518,1.358531187,0.494489396,3.736710439,4.126182414,0.003143526,0.00473425,1.38E-24,7.73E-68,8.37E-133,1.75E-219,0,0,0,0,0,0,0.547825911,5.861095794,0.25011151,6.150646592,0.08594632,0.081320369,0.924794663,0.210878502,4.284497608,0.038752761,0.067421497,0.578015035,0.135648038,2.134866204,0.049261034,0.024234891,0.181324549,0.10510286,2.22E-05,3.33E-05,9.70E-27,5.45E-70,5.89E-135,1.23E-221,0,0,0,0,0,0,1.768429422,5.861522264,0.810186976,7.521588075,0.833571466,0.344530096,1.622664554,0.943338791,5.428623927,0.177397704,0.264439507,1.723570697,0.5528721,2.603607335,0.201686951,0.089299665,0.65041277,0.498204587,2.31E-04,3.47E-04,1.01E-25,5.67E-69,6.14E-134,1.28E-220,0,0,0,0,0,0,6.161541534,5.866775313,2.857922913,23.29205625,9.878206884,2.25046441,4.135573216,6.579776716,12.5570648,1.273924522,1.541642647,5.880190445,3.368223963,4.378695412,1.237757667,0.454760796,3.428260882,3.728713546,0.002800873,0.004218131,1.23E-24,6.89E-68,7.46E-133,1.56E-219,0,0,0,0,0,0,2.606335467,5.862075069,1.19689587,9.220584951,1.791179759,0.592260348,2.101813124,1.65598496,6.424590702,0.314364032,0.439419761,2.512309757,0.931164035,2.931540052,0.340416197,0.143146627,1.048629402,0.895045525,5.01E-04,7.55E-04,2.20E-25,1.23E-68,1.33E-133,2.79E-220,0,0,0,0,0,0,7.883045004,5.8704208,3.673994945,34.09717758,16.13447953,3.406493992,5.12079733,10.06907615,16.63545002,1.958655622,2.284618717,7.523368757,5.032188779,5.111861556,1.851823197,0.654008018,4.981847109,5.769621943,0.004584306,0.006904458,2.01E-24,1.13E-67,1.22E-132,2.55E-219,0,0,0,0,0,0,3.752377172,5.403696072,1.761822792,12.16131283,3.649538423,0.943264545,2.821143349,2.710435846,8.013674395,0.520842366,0.667300578,3.939868027,1.458968663,3.83819517,0.527896526,0.248989357,1.834493632,1.670295548,0.001026758,0.001545877,4.50E-25,2.52E-68,2.73E-133,5.71E-220,0,0,0,0,0,0,9.989626745,0.791984757,0.391850503,0.894049377,0.070880874,0.546168361,0.564948546,0.499982091,11.173462,12.136412,26.41005102,0.841074066,1.611098998,8.612226636,0.299352479,0.08447679,0.957333606,0.033275969,0.406491177,0.081340489,0.023237448,8.996055904,3.330912985,12.54475777,0.936000409,0.511069113,9.15889228,0.495403,0.206555651,0.928813582,0.050239376,0.459431519,0.222347168,0.138927364,9.860850931,6.531491964,17.32955668,0.893220374,0.820706051,9.955488782,0.779825987,0.384240796,0.895313551,0.070131039,0.542454437,0.547896981,0.480751422,11.11955556,11.88849476,25.99112251,0.842970327,1.57110284,9.402737628,0.582616817,0.260971225,0.917669214,0.056861048,0.484104541,0.307095776,0.221768,10.24632567,8.084083246,19.76005967,0.876503822,1.012968316,10.09651461,0.8300396,0.415674464,0.890170257,0.073181349,0.557879845,0.619955044,0.56262668,11.34222868,12.92239652,27.74818793,0.835255385,1.740461569,9.98949972,0.779880826,0.384594012,0.895600009,0.069919545,0.546158363,0.547862503,0.481635697,11.15397456,11.93245857,26.08265866,0.843400014,1.575656563 +UMLS0305,L,trans-2-octene,CCCCC/C=C/C,5364448,Sandia values from independent API report ,Sandia,,C8H16,PubChem,,-0.2,0,1.9914,3.96567396,39.2225,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1311.595663,1090.715309,849.680164,635.736027,447.02213,154.429632,18.289152,3885.475125,4800.404174,6060.218294,6004.453783,4921.312267,3644.358584,2627.961878,1656.593096,559.5073998,167.819552,166.665724,297.509884,365.04626,374.068624,270.473772,187.832648,145.87776,120.932352,29.42500648,37.33900896,51.13810539,54.24031728,46.76487335,34.40673565,24.72029948,17.36404786,8.003032287,3973.037281,3337.521256,6596.59581,8403.043401,9117.157939,6560.491976,4494.988761,3501.729441,3328.517736,42.27777778,49.91666667,72.66666667,84.83333333,78,59.5,43,33,18,48.76541633,52.3287937,31.22846817,20.9752944,15.73481785,16.30092377,16.55637519,7.353792,1.016064,161.8947969,208.713225,144.2909118,115.4702651,91.13541236,93.44509189,97.33192139,78.88538554,31.08374443,6.992481333,7.246335826,7.083568667,7.020120385,6.927196741,6.935224923,6.956764741,6.94656,6.718464,1.226041937,1.623435172,1.217573938,1.043083025,0.866016173,0.882223991,0.915566648,0.826859422,0.444612905,165.54322,145.1096198,157.061805,161.5969885,168.8362581,168.217743,166.4810652,166.749021,184.917652,1.761574074,2.170289855,1.73015873,1.631410256,1.444444444,1.525641026,1.592592593,1.571428571,1,0.047815485,-0.003793539,-0.016469145,-0.016125073,0.011846301,7.81E-04,-0.005070786,-0.006438871,0.011362642,645.6853813,-53.80711511,-121.066009,-269.0355756,80.71067267,40.35533633,-40.35533633,-201.7766817,242.132018,1200.679538,-100.0566282,-225.1274134,-500.283141,150.0849423,75.04247115,-75.04247115,-375.2123557,450.2548269,0.126485333,-0.010540444,-0.023716,-0.052702222,0.015810667,0.007905333,-0.007905333,-0.039526667,0.047432,5.367596186,-0.447299682,-1.006424285,-2.236498411,0.670949523,0.335474762,-0.335474762,-1.677373808,2.01284857,29.15686767,-2.429738973,-5.466912688,-12.14869486,3.644608459,1.822304229,-1.822304229,-9.111521147,10.93382538,3.939814815,-0.972415123,0.09837963,-2.094135802,1.008101852,0.255208333,0.185763889,-1.704282407,1.253472222,0.001992312,-1.65E-04,-3.92E-04,-3.10E-04,2.19E-04,2.00E-05,-1.88E-04,-3.07E-04,6.31E-04,26.90355756,-2.339439787,-2.882524024,-5.173761068,1.494642086,1.034752214,-1.494642086,-9.608413413,13.45177878,50.0283141,-4.350288182,-5.36017651,-9.620829634,2.779350783,1.924165927,-2.779350783,-17.86725503,25.01415705,0.005270222,-4.58E-04,-5.65E-04,-0.001013504,2.93E-04,2.03E-04,-2.93E-04,-0.001882222,0.002635111,0.223649841,-0.019447812,-0.023962483,-0.043009585,0.012424991,0.008601917,-0.012424991,-0.079874943,0.111824921,1.214869486,-0.105640825,-0.130164588,-0.233628747,0.067492749,0.046725749,-0.067492749,-0.433881959,0.607434743,0.164158951,-0.042278918,0.002342372,-0.040271842,0.018668553,0.006543803,0.006880144,-0.081156305,0.069637346,-0.082786468,-0.196817824,-0.1556471,0.110111245,0.010047969,-0.094265814,-0.153898043,0.316846916,-0.086956522,-0.107142857,-0.192307692,0.055555556,0.038461538,-0.055555556,-0.357142857,0.5,-0.086956522,-0.107142857,-0.192307692,0.055555556,0.038461538,-0.055555556,-0.357142857,0.5,-0.086956522,-0.107142857,-0.192307692,0.055555556,0.038461538,-0.055555556,-0.357142857,0.5,-0.086956522,-0.107142857,-0.192307692,0.055555556,0.038461538,-0.055555556,-0.357142857,0.5,-0.086956522,-0.107142857,-0.192307692,0.055555556,0.038461538,-0.055555556,-0.357142857,0.5,-0.257548664,0.014268927,-0.245322245,0.113722418,0.039862605,0.041911477,-0.494376364,0.424206816,1.405529948,1.270728779,1.193444245,0.671804315,0.990572248,1.219574825,0.968463328,0.00372783,1.5,1.232142857,1.202524038,0.798611111,0.829326923,0.958333333,1.232142857,0,1.5,1.232142857,1.202524038,0.798611111,0.829326923,0.958333333,1.232142857,0,1.5,1.232142857,1.202524038,0.798611111,0.829326923,0.958333333,1.232142857,0,1.5,1.232142857,1.202524038,0.798611111,0.829326923,0.958333333,1.232142857,0,1.5,1.232142857,1.202524038,0.798611111,0.829326923,0.958333333,1.232142857,0,1.685076381,0.932432432,1.23024948,0.665165165,0.920997921,1.009009009,1.667953668,0,37.77857459,18.88928729,30.0376205,37.77857459,4.722321824,18.88928731,-7.11E-15,0.009501707,0.001187713,-3.725027091,29.00062435,3.625078044,2.693853887,37.77857459,18.88928729,30.0376205,37.77857459,4.722321824,18.88928731,-7.11E-15,0.009501707,0.001187713,-3.725027091,29.00062435,3.625078044,2.693853887,37.77857459,18.88928729,30.0376205,37.77857459,4.722321824,18.88928731,-7.11E-15,0.009501707,0.001187713,-3.725027091,29.00062435,3.625078044,2.693853887,37.77857459,18.88928729,30.0376205,37.77857459,4.722321824,18.88928731,-7.11E-15,0.009501707,0.001187713,-3.725027091,29.00062435,3.625078044,2.693853887,37.77857459,18.88928729,30.0376205,37.77857459,4.722321824,18.88928731,-7.11E-15,0.009501707,0.001187713,-3.725027091,29.00062435,3.625078044,2.693853887,37.77857459,18.88928729,30.0376205,37.77857459,4.722321824,18.88928731,-7.11E-15,0.009501707,0.001187713,-3.725027091,29.00062435,3.625078044,2.693853887,46.61194574,23.20007009,37.76926883,46.45309157,5.806636446,23.20007009,-0.211805556,0.117599999,0.0147,-1.712373004,29.03798404,3.629748006,2.694883814,0,11.89,12.11011416,-0.164847976,0.055858775,5.295742905,7.612089197,7,23,22,22,6,1,1,0,0,1,17.491312,3.537884735,3.270297271,2.695619856,2.333552793,2.115082738,1.539019573,0.985220658,0.764390009,1.913012065,1.714663046,1.393770987,1.249629723,0.985309356,0.668223227,0.3802214,0.264853266,3.562254433,3.299378168,2.745266139,2.405454588,2.181232242,1.629434946,1.107450335,0.899337048,1.856422439,1.648432526,1.298622091,1.134540686,0.873485946,0.530728928,0.221965448,0.098298621,3.671076355,3.429154864,2.961063061,2.704236987,2.460876371,2.004091209,1.590861911,1.425799674,1.693116992,1.455380774,1.00330568,0.76031856,0.514083388,0.073780005,0.322833538,0.481338846,3.5802983,3.320913039,2.781771126,2.457539916,2.229456243,1.694974555,1.194622235,0.995114965,1.820654069,1.606376738,1.236619438,1.058262671,0.799682425,0.438805402,0.114889192,0.014817519,3.725022837,3.493287171,3.063471926,2.838982085,2.589032938,2.171041103,1.796015372,1.646037705,1.64325087,1.396007479,0.906973046,0.631337262,0.392020352,0.086880707,0.523368384,0.697607366,3.588862987,3.362520199,2.820142781,2.591598066,2.314697504,1.745377727,1.253426359,1.13828091,1.841457734,1.523254911,1.167191407,0.917179462,0.699311459,0.344713897,0.02386452,0.167183136,0,0,0,2,0,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.144337567,0.288675135,0.166666667,0.096225045,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,6.14626437,3.381880722,2.540232713,1.146385863,0.596225045,0.288675135,0.19245009,0,0.768283046,0.483125817,0.362890388,0.229277173,0.149056261,0.096225045,0.096225045,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,3,0,2,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.335694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.616527778,0,0,1.193194444,0.580555556,0,0.616527778,0,0,0,0,0,0,0,0,6.576712963,0,2.567962963,0,4.335694444,0,0.852962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.113472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.296319444,0,0,0.216944444,0.290277778,0,0.296319444,0,0,0,0,0,0,0,0,2.069768519,0,1.244212963,0,2.113472222,0,0.852962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.222222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.320208333,0,0,0.290277778,0.290277778,0,0.320208333,0,0,0,0,0,0,0,0,2.253472222,0,1.32375,0,2.222222222,0,0.852962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,1.791666667,0.320208333,2.253472222,0.216944444,0.852962963,5.655401852,0.48037037,0.253472222,1.824814815,0.48037037,0.253472222,1.824814815,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.375,0.125,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.25021,0.90628,8.40872,1.15852,0.14481,3.16649,0.39581,3.77005,0.60355,0.07544,0.14395,0.01799,0.14395,0.01799,0,7,0,0,0,0,0,0,0.75,0.918295834,2.114005463,3.40726823,3.490601563,3.490601563,3.164348438,22.03910002,50.73613111,81.77443751,83.77443751,83.77443751,75.94436251,0.200284263,0.461073665,0.743139825,0.761315182,0.761315182,0.690157976,3.666666667,2.470957038,1.177694271,1.094360938,1.094360938,1.420614063,0.200284263,0.461073665,0.743139825,0.761315182,0.761315182,0.690157976,6.73287657,17.09808847,19.31748564,19.40147106,19.40147106,16.97271874,31.59900002,18.70284314,16.57092761,16.35551406,16.35551406,15.61654167,8,5.142857143,7.2,8,2,7,2.34,1.1928,0.721124785,4.146039495,1.754410643,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.108,0.188,0.161,3.478,7,5,4,3,2,0,0,0,0,36,2.197224577,2.302585093,2.079441542,1.945910149,1.945910149,1.609437912,0,0,0,0,3.891820298,1.333333333,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,0,144.287877,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,112.1252005,4.671883355,14.66595917,1.833244896,0,0,0,79,5,4.42,28,1.215558759,2.114243067,2.932463888,3.618433126,4.727066027,5.894020141,7.042601509,7.791312229,0,0,74.75179796,75.6783367,71.66830273,71.49891935,92.64124476,112.3946908,54.38909115,7.916471868,0,0,279.7385924,332.8101627,365.4678278,376.7808203,492.5513311,623.6481407,575.1630121,242.1831581,0,0,8.844003262,15.03995668,20.63840415,25.1939952,32.92393174,41.14749159,49.01540195,52.34565072,0,0,2.114641681,2.744103743,3.21613147,3.437071722,4.499810657,5.724734481,5.980010497,3.464117963,0,0,174.1693573,327.4850675,470.2551458,601.3672153,784.6852707,970.4184158,1166.895486,1440.751164,0,0,2.720231345,3.809285515,4.910357858,5.528613583,7.566711757,9.767596988,11.30130272,7.791312229,0,0,0.438236045,0.578356115,0.685812707,0.738654924,0.967153076,1.230436778,1.307159681,0.797830372,0,0,360.2796781,172.78874,10.72490123,102.6483984,-49.22977479,-6.70262732,257.6312797,222.0185148,17.42752855,0.778262751,0.373251805,0.023167532,0.221737249,-0.106344327,-0.014478766,166.7835784,79.98875904,4.964857895,47.51882561,-22.78984495,-3.102834373,0.118614731,0.189809763,2.39833674,5.748398409,462.9280765,0,1,0,455.2176228,21.33582955,7.692597726,615.5411225,24.81010122,8.506528421,712.9150312,26.70046874,8.933313817,2.401599767,2.401599767,804.9432994,755.8096095,83.16611923,1.065008025,9.678740656,9.087950917,4.552909013,4.702695858,9.275217197,0.972319171,6.573787565,5.70447275,3.236383279,19.54550931,10.75967378,5.300984005,5.483525911,5.916470024,10.36335857,2.397297265,4.197154932,4.828105838,1.503766642,6.376796201,0.810824021,4.053426325,5.14E-04,0.006391855,1.53E-23,7.11E-66,6.35E-130,1.09E-215,3.5E-323,0,0,0,0,0,0,0,0.551699841,5.696833906,0.235084097,6.725063588,0.991221351,0.440825551,0.937065982,0.523974913,3.175738701,0.270166886,0.103708129,0.425970436,0.046693338,1.184662876,0.006306398,0.09014097,3.62E-06,4.50E-05,1.08E-25,5.01E-68,4.47E-132,7.71E-218,0,0,0,0,0,0,0,0,1.780936332,5.697344496,0.782946247,7.627107285,1.66741235,1.424759404,1.713769188,1.039037198,4.026573056,0.64253264,0.497323541,1.209929981,0.201845365,1.846338758,0.061040359,0.455741235,3.77E-05,4.69E-04,1.13E-24,5.22E-67,4.66E-131,8.03E-217,4.9E-324,0,0,0,0,0,0,0,6.20511967,5.703634124,3.029733475,18.15398215,9.695476851,5.000573134,5.151660698,5.379157901,9.70530683,2.245203557,3.790211781,4.518064992,1.36423606,5.918085513,0.722839779,3.653939869,4.58E-04,0.005695027,1.37E-23,6.33E-66,5.66E-130,9.75E-216,3.0E-323,0,0,0,0,0,0,0,2.624768647,5.698006369,1.178267101,8.755516146,2.522866018,2.10261255,2.291883469,1.566506163,4.793639986,0.916507744,0.898750607,1.782123756,0.350594592,2.418777253,0.131121941,0.838366254,8.19E-05,0.001019004,2.45E-24,1.13E-66,1.01E-130,1.74E-216,4.9E-324,0,0,0,0,0,0,0,7.938798842,5.707999027,4.027529819,25.38653473,15.22922755,6.416535107,6.773057478,8.141140746,13.04738558,2.985266177,5.881400568,6.02208365,2.077531065,8.235122283,1.180567631,5.710644167,7.49E-04,0.009321919,2.24E-23,1.04E-65,9.26E-130,1.60E-215,4.9E-323,0,0,0,0,0,0,0,3.772732087,4.981766026,1.725058706,10.62861005,3.961267226,2.947956738,3.056336095,2.536889913,6.126017759,1.422950459,1.582910482,2.559877776,0.583111821,3.657663186,0.255001472,1.512296169,1.60E-04,0.001991189,4.78E-24,2.21E-66,1.98E-130,3.41E-216,1.0E-323,0,0,0,0,0,0,0,7.759854612,1.162044262,0.503554284,0.823287165,0.123287893,0.537075987,0.484983676,0.327112997,9.425453157,13.50995492,27.47610536,0.734930748,1.34917266,6.605106145,0.589893947,0.15304151,0.898893406,0.08027907,0.389110029,0.121879056,0.029436861,7.348041602,4.997445809,12.9417849,0.848340109,0.540425945,7.063685067,0.816583878,0.292853096,0.864257873,0.099910888,0.445016988,0.236151981,0.109316837,8.173122041,8.075852501,17.93817795,0.796386809,0.790485805,7.731261536,1.147835691,0.494925073,0.824753909,0.122448577,0.533124254,0.472956948,0.315885557,9.3740223,13.26870577,27.03480103,0.737130864,1.32196676,7.268114478,0.917904195,0.35487568,0.85097815,0.107471672,0.471151202,0.29973528,0.161231011,8.540894353,9.576451714,20.48487531,0.776467225,0.932117492,7.849373314,1.206536317,0.530559808,0.818797094,0.125858255,0.549542566,0.52364174,0.363523807,9.586469439,14.27525565,28.88642038,0.72819564,1.436708113,7.753840424,1.149517148,0.49490444,0.825029182,0.122311673,0.536250514,0.474264459,0.315784843,9.398262012,13.31948372,27.12891439,0.737543774,1.326299815 +UMLS0306,L,6-methyl-2-heptene,C/C=C/CCC(C)C,5364870,,UML,[1],C8H16,PubChem,,5.8,0,0.1642,0.02696164,33.9174,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1349.023542,784.154955,341.197081,87.883488,9.144576,0,3885.475125,5223.921076,7758.63172,7616.018954,5372.71753,2869.090631,1154.675865,279.7536999,0,167.819552,174.20624,341.883496,470.237784,449.544684,288.585892,143.482752,60.466176,0,29.42500648,40.12790896,63.51436973,69.27418059,53.32491663,30.38306877,13.35045943,4.001516144,0,3973.037281,3464.315612,7404.551417,10832.52895,11018.60478,7263.286629,3692.500067,1664.258868,0,36.55555556,44.58333333,74.77777778,96.91666667,86.33333333,54,27,9,0,48.76541633,56.15943233,37.32917321,20.13467973,12.06392238,8.123740024,4.184928,1.016064,0,161.8947969,217.6633782,161.6381608,113.6719247,82.65719278,68.31168168,54.98456499,31.08374443,0,6.992481333,7.258593333,7.122572833,7.018474388,6.916072062,6.871092667,6.832512,6.718464,0,1.226041937,1.671996207,1.323216036,1.033942994,0.820383333,0.723406399,0.635736163,0.444612905,0,165.54322,144.3464838,154.2614879,161.6795365,169.5169966,172.9353959,175.8333365,184.917652,0,1.523148148,1.857638889,1.55787037,1.446517413,1.328205128,1.285714286,1.285714286,1,0,0.032255029,-0.003035682,-0.005196084,-0.015953261,-1.14E-04,0.002817482,5.75E-04,0.004778912,0,645.6853813,5.47E-13,-80.71067267,-390.1015846,-53.80711511,40.35533633,40.35533633,121.066009,0,1200.679538,0,-150.0849423,-725.4105544,-100.0566282,75.04247115,75.04247115,225.1274134,0,0.126485333,2.94E-15,-0.015810667,-0.076418222,-0.010540444,0.007905333,0.007905333,0.023716,0,5.367596186,1.23E-14,-0.670949523,-3.242922696,-0.447299682,0.335474762,0.335474762,1.006424285,0,29.15686767,-1.14E-13,-3.644608459,-17.61560755,-2.429738973,1.822304229,1.822304229,5.466912688,0,2.314814815,-0.805555556,-0.074074074,-0.596450617,-0.097993827,0.449074074,-0.372685185,0.340277778,0,0.00134396,-1.26E-04,-1.08E-04,-2.38E-04,-1.76E-06,6.71E-05,2.74E-05,5.31E-04,0,26.90355756,2.28E-14,-1.681472347,-5.82241171,-0.827801771,0.960841341,1.921682683,13.45177878,0,50.0283141,0,-3.126769631,-10.8270232,-1.539332741,1.786725503,3.573451007,25.01415705,0,0.005270222,1.22E-16,-3.29E-04,-0.00114057,-1.62E-04,1.88E-04,3.76E-04,0.002635111,0,0.223649841,5.11E-16,-0.013978115,-0.048401831,-0.006881534,0.007987494,0.015974989,0.111824921,0,1.214869486,-4.74E-15,-0.075929343,-0.262919516,-0.0373806,0.043388196,0.086776392,0.607434743,0,0.096450617,-0.033564815,-0.00154321,-0.008902248,-0.001507597,0.01069224,-0.017746914,0.037808642,0,-0.094115011,-0.080546888,-0.177169306,-0.001306367,0.04991438,0.020381865,0.395093903,0,8.47E-16,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,0,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,2.32E-14,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,2.29E-15,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,-3.90E-15,-0.0625,-0.21641791,-0.030769231,0.035714286,0.071428571,0.5,0,-0.348,-0.016,-0.092298507,-0.015630769,0.110857143,-0.184,0.392,0,1.532779925,1.175602848,1.172861416,0.87034063,0.749025336,0.770059161,2.03E-05,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.4375,1.2578125,1.222947761,0.8625,0.71875,0.616071429,0,0,1.8745,0.874,0.98041791,0.917169231,0.808285714,1.419428571,0,0,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,32.64444171,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,3.55E-15,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,37.70519329,18.76231887,28.28933508,37.56977663,4.696222078,18.76231889,-0.180555556,0.079288157,0.00991102,-2.027733207,56.65885442,7.082356803,3.229638621,0,11.89,12.11011416,-0.163178056,0.057765027,5.47158872,8.391632439,8,24,24,24,8,0,0,0,0,0,17.491312,3.685989082,3.092821346,2.670943536,2.40090396,2.000350245,1.589017011,0.972022278,0.877194925,1.854241345,1.794539264,1.463589589,1.210734547,0.840676949,0.71947014,0.415151155,0.31945483,3.708521786,3.130308654,2.72129108,2.454611113,2.073125205,1.683813318,1.096376447,1.007695685,1.795418836,1.731647105,1.373528225,1.101293988,0.709085526,0.580517984,0.262315689,0.15462472,3.807905188,3.295836556,2.940502477,2.688356131,2.378721148,2.071155971,1.585579761,1.517481683,1.625089618,1.547459617,1.093912816,0.749844632,0.275686454,0.118286354,0.255749329,0.420338663,3.725133284,3.157994439,2.758334749,2.494130403,2.1260559,1.752167903,1.184872557,1.100332526,1.758190234,1.691652068,1.31486169,1.02906644,0.62139989,0.487591374,0.159423307,0.042618796,3.856582478,3.376213844,3.044680986,2.799242275,2.517788375,2.241595679,1.792298982,1.731344475,1.572877276,1.490407446,1.002393698,0.630707167,0.124872429,0.044424808,0.442305666,0.635939031,3.707159954,3.267489491,2.900482527,2.553728022,2.242082571,1.881001293,1.321967784,1.245365857,1.738938112,1.653368489,1.168678753,0.839162578,0.459893957,0.338590232,0.007169394,0.139155595,0,0,0,0,0,2,4,2,0,0,0,0.11785113,0.201184464,0.166666667,0,0,0.11785113,0.201184464,0.166666667,0.49279928,0,0,0,0.49279928,0,0,0,0.837103655,1.101444348,0.819035594,0.837103655,1.101444348,0.819035594,5.983127663,3.825698503,3.192497939,2.380766767,1.695748723,0.922588984,0.284517797,0,0.747890958,0.478212313,0.319249794,0.216433342,0.141312394,0.115323623,0.094839266,0,5.983127663,3.825698503,3.192497939,2.380766767,1.695748723,0.922588984,0.284517797,0,0.747890958,0.478212313,0.319249794,0.216433342,0.141312394,0.115323623,0.094839266,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,27.61847035,38.59269479,55.2369407,6.904617587,27.61847035,0.056518783,0.007064848,-2.298545802,32.88720351,4.110900438,2.794466905,59,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.678935185,0,5.885925926,0,0,0,2.101805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.308240741,0,1.407083333,0,0,0,1.027731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.497685185,0,0,0,1.074074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.370694444,0.2,1.027731481,5.751583657,0.305601852,0.370694444,1.35787037,0.305601852,0.370694444,1.35787037,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.29657,1.03707,8.29657,0,0,3.82569,0.47821,3.82569,0,0,0.08831,0.01104,0.17431,0.02179,0.208333333,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.772055209,3.522055209,3.371653522,3.538320189,22.03910002,34.03910002,66.52932501,84.52932501,80.91968454,84.91968454,0.200284263,0.309336409,0.604597139,0.768175358,0.735372104,0.77172282,3.666666667,3.166666667,1.812907292,1.062907292,1.213308978,1.046642312,0.200284263,0.309336409,0.604597139,0.768175358,0.735372104,0.77172282,6.73287657,12.73287657,18.67730206,18.51715625,18.36557767,20.36557767,31.59900002,23.74937501,18.28646667,17.30526354,17.74824261,15.16328011,6.125,2.52,1.487603306,2,0,2,2.34,1.1272,0.2,3.150627212,1.807204007,0,3.14734519,5.863977986,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,11,12,8,3,0,0,0,0,60,2.197224577,2.397895273,2.48490665,2.564949357,2.197224577,1.386294361,0,0,0,0,4.110873864,1,0.4,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,3,0.375,0,3,5,0.666666667,2,0.666666667,0.569444444,0.205,0,0,0,0,0,0,0.25,0.066666667,0.094907407,0.068333333,0,0,0,0,0,0,0.479907407,16.32222086,24.37699338,32.64444171,4.080555214,16.32222113,0.092649726,0.011581216,-1.903143423,78.51237163,9.814046453,3.49060497,0,134.567877,4,3.610917913,4.369447852,5.176149733,5.958424693,6.767343125,7.556427969,8.363808885,9.155989777,9.961614941,76.92012489,2.833213344,0,4.043051268,2.397895273,5.424950017,4.59511985,6.876264612,6.529418838,8.365672384,8.758255243,112.1252005,4.671883355,15.46568272,1.93321034,0,0,0,63,6,4.43,36,1.331436567,2.359396726,3.243611672,4.055944433,4.938835536,5.999901781,7.123235952,0,0,0,94.01800751,103.5980495,75.70316523,58.05997243,47.61186938,27.67860672,7.237663614,0,0,0,334.770918,424.0756512,400.5964559,365.3990016,368.3766294,349.2817916,221.4168458,0,0,0,9.725938808,16.89518985,22.84635661,28.13594281,34.04417173,41.08687589,47.85720431,0,0,0,2.47012952,3.377681623,3.55504946,3.523827429,3.791231275,3.969325409,3.167082628,0,0,0,188.3541604,357.5733739,518.4589114,681.2156734,845.6918415,1047.616799,1317.212067,0,0,0,2.537543875,3.815804947,4.835444498,5.532364657,6.570710313,7.945828732,7.123235952,0,0,0,0.509638069,0.707345234,0.758849995,0.763852018,0.830483224,0.882149491,0.729419361,0,0,0,328.6451491,135.0551261,8.349943121,55.91570229,-22.97828599,-2.885702759,272.7294468,158.0334121,11.23564588,0.854598558,0.351193122,0.021712931,0.145401442,-0.059752016,-0.007503891,126.3840583,51.93691427,3.211061236,21.50299008,-8.836549222,-1.10972831,0.072708993,0.158000752,0.855707029,1.455890798,384.5608514,0,1,0,402.4237007,20.06050101,7.38291469,557.416278,23.60966493,8.229874559,659.8870066,25.68826593,8.706090801,1.406004067,1.039522121,585.9369575,563.6149656,143.3950696,1.039605038,4.086172273,3.930504495,4.502940619,4.389230947,8.333691565,0.898667823,4.462408855,4.441389222,3.592736028,11.49991877,11.00654551,8.182941316,6.528102446,12.83442988,6.097572568,2.642034858,2.099626353,4.67603053,1.3056939,1.89253498,0.418192817,0.062922621,5.23E-20,8.39E-60,2.60E-121,1.55E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0.374499053,4.441098655,0.777061924,4.313564792,1.17147997,3.313757666,0.275858435,0.684410461,0.504494822,0.107869506,0.748566068,1.19545768,0.016617002,0.058445993,0.002945367,4.43E-04,3.69E-22,5.91E-62,1.83E-123,1.09E-206,1.2563210686816E-311,0,0,0,0,0,0,0,0,0,1.208928595,4.441118701,1.13319838,5.488603258,2.438158763,4.009744988,0.98453492,2.148921433,1.119785668,0.42323995,0.906531824,1.70902662,0.114896254,0.254814924,0.030692989,0.004618164,3.84E-21,6.16E-61,1.91E-122,1.14E-205,1.30918341642953E-310,0,0,0,0,0,0,0,0,0,4.212149946,4.441357544,3.343028098,10.95672861,10.14235538,7.779460263,5.944567763,11.73134043,5.568954119,2.415467158,1.97523656,4.39329913,1.168459482,1.717280127,0.372602272,0.056062923,4.66E-20,7.48E-60,2.31E-121,1.38E-204,0.00E+00,0,0,0,0,0,0,0,0,0,1.781738316,4.441144121,1.442582545,6.381886512,3.527673018,4.57597615,1.639533428,3.455805175,1.698455345,0.699682161,1.049951913,2.120036368,0.231308908,0.442470219,0.066669272,0.01003127,8.34E-21,1.34E-60,4.14E-122,2.47E-205,2.84372132224983E-310,0,0,0,0,0,0,0,0,0,5.389004952,4.441522287,4.605099476,13.62833632,14.5038412,9.79651602,8.916635685,17.32660223,8.266241033,3.562014103,2.60750897,5.80194365,1.880026948,2.6129262,0.609894919,0.09176673,7.63E-20,1.22E-59,3.79E-121,2.26E-204,0.00E+00,0,0,0,0,0,0,0,0,0,2.966698408,4.244077618,1.951652004,7.535962332,5.785041382,5.810049988,3.075716652,6.429794715,3.06708517,1.358821736,1.474957681,3.68222592,0.559331849,0.989005156,0.16681376,0.025099328,2.09E-20,3.35E-60,1.04E-121,6.18E-205,7.11529978875355E-310,0,0,0,0,0,0,0,0,0,5.436042046,1.246093516,1.071882018,0.701061352,0.160702952,0.499747203,0.360810018,0.522243898,7.75401758,13.9362777,28.95102764,0.551592028,1.382801119,4.492964474,0.739842273,0.54278748,0.777922461,0.128098035,0.342827396,0.128008532,0.132016071,5.775594227,6.164387036,13.74425301,0.666883691,0.602851999,4.866921714,0.940787412,0.753650639,0.741755046,0.143382995,0.401470442,0.206444744,0.256709458,6.561359766,8.955722379,18.96785148,0.612632569,0.864624644,5.412636675,1.233547336,1.058853382,0.702480261,0.160096217,0.495489931,0.353633417,0.509590617,7.705037392,13.71407797,28.48880785,0.553720391,1.358713965,5.033876407,1.030406656,0.847324744,0.728322056,0.149083496,0.42916871,0.247366767,0.325323878,6.911607808,10.32535685,21.63198706,0.592483084,1.001859356,5.509334951,1.285376817,1.112649703,0.696734931,0.162554453,0.513198557,0.383741699,0.562795101,7.907361472,14.64170546,30.42837527,0.545102397,1.459735357,5.438561603,1.234521359,1.061890348,0.70311317,0.159602536,0.500166534,0.354139352,0.512676693,7.73497331,13.80010285,28.66462968,0.554669755,1.36698258 +UMLS0307,L,trans-1-methyl-3-ethyl-cyclopentane,CC[C@@H]1CC[C@H](C1)C,6432281,Sandia values from independent API report ,Sandia,,C8H16,UML,,-2.2,0,1.528,2.334784,34.3257,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1410.479624,1313.632662,593.499481,121.4136,9.144576,0,0,3461.958223,4376.887272,6118.039963,7044.624533,5474.660402,2180.439431,279.7536999,0,0,160.279036,159.125208,296.735264,382.099416,498.123172,365.192064,60.466176,0,0,26.63610648,34.55010896,50.80666687,62.15635002,57.10008402,28.02268529,4.001516144,0,0,3846.242925,3210.7269,6665.652931,8492.189678,12174.9141,9794.782583,1664.258868,0,0,38.0625,44.75,66.75,93.5,106,60,9,0,0,44.61329874,48.14991518,33.58284819,24.32653078,8.243048347,2.2484,1.016064,0,0,150.5199227,198.9494215,145.6676182,130.4560099,76.03695003,40.37850798,31.08374443,0,0,6.968653739,7.232964,7.065125333,7.075915111,6.918377389,6.762816,6.718464,0,0,1.158091586,1.570459498,1.209682544,1.151043519,0.793056722,0.518938617,0.444612905,0,0,167.2279533,145.9421318,158.7060222,157.2627718,169.0960292,181.3848627,184.917652,0,0,1.654891304,2.034090909,1.589285714,1.731481481,1.472222222,1.111111111,1,0,0,0.031306772,-0.008413449,0.008081882,-0.016402808,-0.021579506,0.017901895,0.004758601,0,0,589.5388264,-58.58770946,113.0559706,-436.6615221,-397.9844795,384.4818433,100.9264839,0,0,1096.272622,-108.9463475,210.232405,-811.9907464,-740.0691342,714.9604056,187.6771065,0,0,0.115486609,-0.01147693,0.022146888,-0.085538994,-0.077962427,0.075317353,0.019770805,0,0,4.900848691,-0.487040864,0.939836667,-3.629976438,-3.308453367,3.196205668,0.839003988,0,0,26.62148787,-2.645613702,5.10520769,-19.71808962,-17.9715712,17.36183992,4.557482978,0,0,3.364130435,-1.89721172,1.144848771,-0.061436673,-2.781190926,1.44399811,0.468927221,0,0,0.001361164,-3.82E-04,1.92E-04,-3.04E-04,-3.00E-04,3.32E-04,5.29E-04,0,0,25.63212289,-2.663077703,2.691808824,-8.086324483,-5.527562215,7.120034136,11.21405376,0,0,47.66402704,-4.952106706,5.005533452,-15.03686567,-10.27873797,13.24000751,20.85301183,0,0,0.005021157,-5.22E-04,5.27E-04,-0.001584055,-0.001082811,0.001394766,0.002196756,0,0,0.213080378,-0.022138221,0.022377063,-0.067221786,-0.045950741,0.059188994,0.093222665,0,0,1.157455995,-0.120255168,0.121552564,-0.365149808,-0.249605156,0.321515554,0.506386998,0,0,0.146266541,-0.086236896,0.027258304,-0.001137716,-0.038627652,0.026740706,0.052103025,0,0,-0.280957707,0.141368531,-0.223158782,-0.220190485,0.243553729,0.388442115,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.589587311,0.186360489,-0.007778376,-0.264090827,0.182821756,0.356219709,0,0,1.820571573,0.87386498,1.385409186,1.182266495,0.302033566,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,2.192245557,0.642280175,1.142912703,1.339705618,0.363309998,0,0,0,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,35.39635054,17.5815086,25.27166631,35.22968387,5.032811982,17.58150865,-0.233333333,1.22E-15,1.74E-16,-24.03723371,4000004.07,571429.1528,10.64126416,0,11.89,12.11009426,-0.167985522,0.052561797,5.591467234,8.899502724,6,22,22,22,6,0,0,0,0,0,17.491312,3.574978343,2.902564078,2.685171409,2.333552793,1.799662052,1.598026915,0.443021474,0.083923071,1.942186947,1.563026335,1.43543247,1.249629723,0.873444649,0.769718516,0.083923071,0.083923071,3.598605629,2.950308951,2.74069663,2.405454588,1.886405282,1.695309721,0.55220905,0.270913902,1.886429748,1.473453684,1.336134217,1.134540686,0.74261092,0.630337185,0.270913902,0.270913902,3.704581195,3.155598408,2.977445718,2.704236987,2.243010376,2.090117344,0.964952634,0.943918427,1.726127666,1.195492746,1.023013433,0.76031856,0.309093543,0.162386152,0.943918427,0.943918427,3.616126269,2.985267979,2.781255866,2.457539916,1.949059228,1.765276817,0.628971729,0.399277246,1.85123465,1.415133181,1.271070023,1.058262671,0.655276683,0.536857124,0.399277246,0.399277246,3.757360594,3.252217518,3.087536905,2.838982085,2.401293357,2.26277616,1.207644823,1.207644823,1.677416459,1.104407163,0.918752736,0.631337262,0.156681707,0.004703131,1.129594515,1.207644823,3.577637728,3.061422362,2.899211901,2.612600818,2.030943263,1.838196629,0.625239344,0.571428571,1.875379131,1.325313653,1.140967173,0.898315104,0.545257359,0.431448195,0.571428571,0.571428571,0,0,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,0,0,1.207106781,0.25,0,0,1.207106781,0.25,0,0,1.707106781,1,0,1.707106781,1,0,5.914213562,3.121320344,2.871320344,1.914213562,0.25,0,0,0,0.844887652,0.520220057,0.358915043,0.319035594,0.25,0,0,0,5.914213562,3.121320344,2.871320344,1.914213562,0.25,0,0,0,0.844887652,0.520220057,0.358915043,0.319035594,0.25,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,34,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,9.076388889,0,2.590277778,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.239583333,0,1.295138889,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.298611111,0,1.295138889,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.25,1.75,0.2,2.298611111,0,0.583333333,5.312430556,0.666666667,0.298611111,2.152777778,0.666666667,0.298611111,2.152777778,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.57143,0,0.14286,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.84027,1.12004,7.84027,0,0,3.12132,0.4459,3.12132,0,0,0.29268,0.04181,0.29268,0.04181,0,6,0,0,0,0,0,0,1,0.886540893,1.306170652,2.044451086,2.566190217,2.36951361,1.756720226,20.39044053,30.04192499,47.02237498,59.02237498,54.49881302,40.4045652,0.195982923,0.288748262,0.451956026,0.567294146,0.523815885,0.388348882,3.637021063,3.217391304,2.47911087,1.95737174,2.154048346,2.76684173,0.19880132,0.292900702,0.45845553,0.575452308,0.531348793,0.393933662,6.634953582,11.67051069,14.32625079,14.85207255,12.49195327,5.138432664,27.76507516,21.21742031,19.84231067,20.03452107,18.85446143,11.50094083,7,2.34375,2.666666667,7,0,5,2.23,1.0949,2.039648903,4.298279727,0,2.828427125,0.5,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,2.855,8,6,1,0,0,0,0,0,0,28,1.945910149,2.197224577,1.945910149,0.693147181,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,3,1.111111111,0.125,0,0,0,0,0,0,0,0.5,0.138888889,0.020833333,0,0,0,0,0,0,0,0.659722222,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,0,129.6283511,3.807354922,3.36729583,4.043051268,4.844187086,5.549076085,6.354370041,7.063903961,7.870547845,8.580918882,9.387900612,70.06125161,2.564949357,0,3.80666249,0,5.262690189,0,6.767343125,0,8.282230063,8.532278829,100.1252005,4.353269587,12.44270382,1.777529117,0,0,0,44,6,4.299,28,1.224818182,2.110039005,2.924159227,3.474757511,3.952964644,5.71185753,0,0,0,0,69.72220731,81.39693149,76.11385697,31.90081193,10.61486373,5.803612809,0,0,0,0,268.787596,337.4239973,396.2765835,274.4580573,172.6406646,177.5459197,0,0,0,0,8.893455721,14.97568724,20.72699372,24.06670898,26.79532824,38.37490919,0,0,0,0,2.059771149,2.735845826,3.457950507,2.821098814,2.155507404,2.539565568,0,0,0,0,176.6115071,329.9879212,457.2457905,585.5682262,712.0570339,1056.223283,0,0,0,0,2.538829545,3.501396601,5.152654435,5.169126467,4.547896064,5.71185753,0,0,0,0,0.427911136,0.575376064,0.73538305,0.616797951,0.486646143,0.584894211,0,0,0,0,351.2538824,135.6087776,8.422640101,123.6246489,-47.72783548,-7.249936546,227.6292335,183.336613,15.67257665,0.739671009,0.285565189,0.01773641,0.260328991,-0.100505355,-0.015266928,166.8029278,64.39769712,3.999730961,58.7066917,-22.66492441,-3.442839219,0.06936215,0.167822642,1.367179659,8.42336208,474.8785313,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,651.8861034,25.53206031,8.670761509,1.600376192,1.20582466,301.9411244,301.0866254,117.3617398,1.00283805,2.572738994,2.565458095,3.7171057,3.220194404,6.42424645,0.994987148,4.462408855,5.691187203,2.528752837,30.60273147,5.933777466,9.998374675,9.367718843,8.391585578,4.005473465,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851897,0.149881511,8.932443656,2.023351974,0.331592865,0.652671376,0.333439406,0.957409077,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690874933,0.524912857,11.8618731,2.301177387,1.404778953,1.996587945,1.320719156,1.162491535,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691150612,2.344012169,28.7475861,5.510292301,9.088187436,8.680297607,7.665648812,3.67131965,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690904229,0.815183813,14.31641578,2.64640617,2.408719208,3.048308136,2.193698832,1.4271176,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691340921,3.257168424,38.07157851,7.710774744,13.72990057,12.08766339,11.34352843,5.410230557,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.732087054,4.568276431,1.078605138,18.19740676,3.907136712,4.373030767,4.932270683,3.322899843,2.227401361,1.559038414,0.053081045,0.367905486,2.62E-15,3.60E-51,9.54E-109,4.88E-188,4.81E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.143134216,1.083373056,1.042643022,0.596516334,0.205606786,0.457022849,0.472182242,0.451937121,5.269150294,7.811925237,16.63146991,0.394774501,1.381142212,2.425158869,0.590249567,0.584676146,0.673639414,0.163954361,0.272077387,0.140160268,0.142114195,3.600084582,3.194486356,7.631505007,0.510459121,0.55435185,2.722543607,0.794500869,0.774365612,0.634417022,0.185137485,0.342895472,0.253946564,0.24928655,4.291410088,4.88654156,10.85295345,0.451625533,0.846128586,3.12654359,1.071978198,1.032060545,0.597742926,0.204944331,0.452210911,0.462301704,0.442809658,5.230582334,7.684715251,16.37433784,0.396614389,1.357322272,2.849753172,0.881871591,0.855507349,0.621249422,0.192249006,0.375687333,0.312870267,0.304266557,4.587132112,5.705548772,12.4426704,0.431874133,0.992824157,3.194714628,1.118799778,1.07554404,0.59281499,0.207605798,0.472145876,0.503568241,0.480909248,5.389058445,8.213620724,17.44693817,0.389222485,1.456623365,3.134797151,1.075002078,1.032151288,0.598021126,0.205076731,0.454601587,0.464913542,0.442887528,5.241950518,7.71506315,16.43527418,0.397031689,1.362402657 +UMLS0308,L,"3,3-dimethylpentane",CCC(C)(C)CC,91105762,Sandia values from independent api report ,Sandia,,C7H15+,UML,,-5.8,0,1.528,2.334784,34.3257,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1410.479624,1313.632662,593.499481,121.4136,9.144576,0,0,3461.958223,4376.887272,6118.039963,7044.624533,5474.660402,2180.439431,279.7536999,0,0,160.279036,159.125208,296.735264,382.099416,498.123172,365.192064,60.466176,0,0,26.63610648,34.55010896,50.80666687,62.15635002,57.10008402,28.02268529,4.001516144,0,0,3846.242925,3210.7269,6665.652931,8492.189678,12174.9141,9794.782583,1664.258868,0,0,38.0625,44.75,66.75,93.5,106,60,9,0,0,44.61329874,48.14991518,33.58284819,24.32653078,8.243048347,2.2484,1.016064,0,0,150.5199227,198.9494215,145.6676182,130.4560099,76.03695003,40.37850798,31.08374443,0,0,6.968653739,7.232964,7.065125333,7.075915111,6.918377389,6.762816,6.718464,0,0,1.158091586,1.570459498,1.209682544,1.151043519,0.793056722,0.518938617,0.444612905,0,0,167.2279533,145.9421318,158.7060222,157.2627718,169.0960292,181.3848627,184.917652,0,0,1.654891304,2.034090909,1.589285714,1.731481481,1.472222222,1.111111111,1,0,0,0.031306772,-0.008413449,0.008081882,-0.016402808,-0.021579506,0.017901895,0.004758601,0,0,589.5388264,-58.58770946,113.0559706,-436.6615221,-397.9844795,384.4818433,100.9264839,0,0,1096.272622,-108.9463475,210.232405,-811.9907464,-740.0691342,714.9604056,187.6771065,0,0,0.115486609,-0.01147693,0.022146888,-0.085538994,-0.077962427,0.075317353,0.019770805,0,0,4.900848691,-0.487040864,0.939836667,-3.629976438,-3.308453367,3.196205668,0.839003988,0,0,26.62148787,-2.645613702,5.10520769,-19.71808962,-17.9715712,17.36183992,4.557482978,0,0,3.364130435,-1.89721172,1.144848771,-0.061436673,-2.781190926,1.44399811,0.468927221,0,0,0.001361164,-3.82E-04,1.92E-04,-3.04E-04,-3.00E-04,3.32E-04,5.29E-04,0,0,25.63212289,-2.663077703,2.691808824,-8.086324483,-5.527562215,7.120034136,11.21405376,0,0,47.66402704,-4.952106706,5.005533452,-15.03686567,-10.27873797,13.24000751,20.85301183,0,0,0.005021157,-5.22E-04,5.27E-04,-0.001584055,-0.001082811,0.001394766,0.002196756,0,0,0.213080378,-0.022138221,0.022377063,-0.067221786,-0.045950741,0.059188994,0.093222665,0,0,1.157455995,-0.120255168,0.121552564,-0.365149808,-0.249605156,0.321515554,0.506386998,0,0,0.146266541,-0.086236896,0.027258304,-0.001137716,-0.038627652,0.026740706,0.052103025,0,0,-0.280957707,0.141368531,-0.223158782,-0.220190485,0.243553729,0.388442115,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.589587311,0.186360489,-0.007778376,-0.264090827,0.182821756,0.356219709,0,0,1.820571573,0.87386498,1.385409186,1.182266495,0.302033566,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,2.192245557,0.642280175,1.142912703,1.339705618,0.363309998,0,0,0,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,35.39635054,17.5815086,25.27166631,35.22968387,5.032811982,17.58150865,-0.233333333,1.22E-15,1.74E-16,-24.03723371,4000004.07,571429.1528,10.64126416,0,11.89,12.11009426,-0.167985522,0.052561797,5.591467234,8.899502724,6,22,22,22,6,0,0,0,0,0,17.491312,3.574978343,2.902564078,2.685171409,2.333552793,1.799662052,1.598026915,0.443021474,0.083923071,1.942186947,1.563026335,1.43543247,1.249629723,0.873444649,0.769718516,0.083923071,0.083923071,3.598605629,2.950308951,2.74069663,2.405454588,1.886405282,1.695309721,0.55220905,0.270913902,1.886429748,1.473453684,1.336134217,1.134540686,0.74261092,0.630337185,0.270913902,0.270913902,3.704581195,3.155598408,2.977445718,2.704236987,2.243010376,2.090117344,0.964952634,0.943918427,1.726127666,1.195492746,1.023013433,0.76031856,0.309093543,0.162386152,0.943918427,0.943918427,3.616126269,2.985267979,2.781255866,2.457539916,1.949059228,1.765276817,0.628971729,0.399277246,1.85123465,1.415133181,1.271070023,1.058262671,0.655276683,0.536857124,0.399277246,0.399277246,3.757360594,3.252217518,3.087536905,2.838982085,2.401293357,2.26277616,1.207644823,1.207644823,1.677416459,1.104407163,0.918752736,0.631337262,0.156681707,0.004703131,1.129594515,1.207644823,3.577637728,3.061422362,2.899211901,2.612600818,2.030943263,1.838196629,0.625239344,0.571428571,1.875379131,1.325313653,1.140967173,0.898315104,0.545257359,0.431448195,0.571428571,0.571428571,0,0,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,0,0,1.207106781,0.25,0,0,1.207106781,0.25,0,0,1.707106781,1,0,1.707106781,1,0,5.914213562,3.121320344,2.871320344,1.914213562,0.25,0,0,0,0.844887652,0.520220057,0.358915043,0.319035594,0.25,0,0,0,5.914213562,3.121320344,2.871320344,1.914213562,0.25,0,0,0,0.844887652,0.520220057,0.358915043,0.319035594,0.25,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,34,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,9.076388889,0,2.590277778,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.239583333,0,1.295138889,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.298611111,0,1.295138889,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.25,1.75,0.2,2.298611111,0,0.583333333,5.312430556,0.666666667,0.298611111,2.152777778,0.666666667,0.298611111,2.152777778,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.57143,0,0.14286,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.84027,1.12004,7.84027,0,0,3.12132,0.4459,3.12132,0,0,0.29268,0.04181,0.29268,0.04181,0,6,0,0,0,0,0,0,1,0.886540893,1.306170652,2.044451086,2.566190217,2.36951361,1.756720226,20.39044053,30.04192499,47.02237498,59.02237498,54.49881302,40.4045652,0.195982923,0.288748262,0.451956026,0.567294146,0.523815885,0.388348882,3.637021063,3.217391304,2.47911087,1.95737174,2.154048346,2.76684173,0.19880132,0.292900702,0.45845553,0.575452308,0.531348793,0.393933662,6.634953582,11.67051069,14.32625079,14.85207255,12.49195327,5.138432664,27.76507516,21.21742031,19.84231067,20.03452107,18.85446143,11.50094083,7,2.34375,2.666666667,7,0,5,2.23,1.0949,2.039648903,4.298279727,0,2.828427125,0.5,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,2.855,8,6,1,0,0,0,0,0,0,28,1.945910149,2.197224577,1.945910149,0.693147181,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,3,1.111111111,0.125,0,0,0,0,0,0,0,0.5,0.138888889,0.020833333,0,0,0,0,0,0,0,0.659722222,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,0,129.6283511,3.807354922,3.36729583,4.043051268,4.844187086,5.549076085,6.354370041,7.063903961,7.870547845,8.580918882,9.387900612,70.06125161,2.564949357,0,3.80666249,0,5.262690189,0,6.767343125,0,8.282230063,8.532278829,100.1252005,4.353269587,12.44270382,1.777529117,0,0,0,44,6,4.299,28,1.224818182,2.110039005,2.924159227,3.474757511,3.952964644,5.71185753,0,0,0,0,69.72220731,81.39693149,76.11385697,31.90081193,10.61486373,5.803612809,0,0,0,0,268.787596,337.4239973,396.2765835,274.4580573,172.6406646,177.5459197,0,0,0,0,8.893455721,14.97568724,20.72699372,24.06670898,26.79532824,38.37490919,0,0,0,0,2.059771149,2.735845826,3.457950507,2.821098814,2.155507404,2.539565568,0,0,0,0,176.6115071,329.9879212,457.2457905,585.5682262,712.0570339,1056.223283,0,0,0,0,2.538829545,3.501396601,5.152654435,5.169126467,4.547896064,5.71185753,0,0,0,0,0.427911136,0.575376064,0.73538305,0.616797951,0.486646143,0.584894211,0,0,0,0,351.2538824,135.6087776,8.422640101,123.6246489,-47.72783548,-7.249936546,227.6292335,183.336613,15.67257665,0.739671009,0.285565189,0.01773641,0.260328991,-0.100505355,-0.015266928,166.8029278,64.39769712,3.999730961,58.7066917,-22.66492441,-3.442839219,0.06936215,0.167822642,1.367179659,8.42336208,474.8785313,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,651.8861034,25.53206031,8.670761509,1.600376192,1.20582466,301.9411244,301.0866254,117.3617398,1.00283805,2.572738994,2.565458095,3.7171057,3.220194404,6.42424645,0.994987148,4.462408855,5.691187203,2.528752837,30.60273147,5.933777466,9.998374675,9.367718843,8.391585578,4.005473465,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851897,0.149881511,8.932443656,2.023351974,0.331592865,0.652671376,0.333439406,0.957409077,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690874933,0.524912857,11.8618731,2.301177387,1.404778953,1.996587945,1.320719156,1.162491535,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691150612,2.344012169,28.7475861,5.510292301,9.088187436,8.680297607,7.665648812,3.67131965,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690904229,0.815183813,14.31641578,2.64640617,2.408719208,3.048308136,2.193698832,1.4271176,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691340921,3.257168424,38.07157851,7.710774744,13.72990057,12.08766339,11.34352843,5.410230557,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.732087054,4.568276431,1.078605138,18.19740676,3.907136712,4.373030767,4.932270683,3.322899843,2.227401361,1.559038414,0.053081045,0.367905486,2.62E-15,3.60E-51,9.54E-109,4.88E-188,4.81E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.143134216,1.083373056,1.042643022,0.596516334,0.205606786,0.457022849,0.472182242,0.451937121,5.269150294,7.811925237,16.63146991,0.394774501,1.381142212,2.425158869,0.590249567,0.584676146,0.673639414,0.163954361,0.272077387,0.140160268,0.142114195,3.600084582,3.194486356,7.631505007,0.510459121,0.55435185,2.722543607,0.794500869,0.774365612,0.634417022,0.185137485,0.342895472,0.253946564,0.24928655,4.291410088,4.88654156,10.85295345,0.451625533,0.846128586,3.12654359,1.071978198,1.032060545,0.597742926,0.204944331,0.452210911,0.462301704,0.442809658,5.230582334,7.684715251,16.37433784,0.396614389,1.357322272,2.849753172,0.881871591,0.855507349,0.621249422,0.192249006,0.375687333,0.312870267,0.304266557,4.587132112,5.705548772,12.4426704,0.431874133,0.992824157,3.194714628,1.118799778,1.07554404,0.59281499,0.207605798,0.472145876,0.503568241,0.480909248,5.389058445,8.213620724,17.44693817,0.389222485,1.456623365,3.134797151,1.075002078,1.032151288,0.598021126,0.205076731,0.454601587,0.464913542,0.442887528,5.241950518,7.71506315,16.43527418,0.397031689,1.362402657 diff --git a/databases/ysi_database_v1.1.csv b/databases/ysi_database_v1.1.csv new file mode 100644 index 0000000..a3cfdef --- /dev/null +++ b/databases/ysi_database_v1.1.csv @@ -0,0 +1,425 @@ +DATAID,ASSIGNMENT,STRING,STRING,STRING,STRING,STRING,STRING,STRING,STRING,TARGET,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT +DATAID,ASSIGNMENT,Compound Name,SMILES,Compound Group,Formula,CAS#,PubChem CID,Validated By,Notes,TARGET,nAcid,ALogP,ALogp2,AMR,apol,naAromAtom,nAromBond,nAtom,nHeavyAtom,nH,nB,nC,nN,nO,nS,nP,nF,nCl,nBr,nI,nX,ATS0m,ATS1m,ATS2m,ATS3m,ATS4m,ATS5m,ATS6m,ATS7m,ATS8m,ATS0v,ATS1v,ATS2v,ATS3v,ATS4v,ATS5v,ATS6v,ATS7v,ATS8v,ATS0e,ATS1e,ATS2e,ATS3e,ATS4e,ATS5e,ATS6e,ATS7e,ATS8e,ATS0p,ATS1p,ATS2p,ATS3p,ATS4p,ATS5p,ATS6p,ATS7p,ATS8p,ATS0i,ATS1i,ATS2i,ATS3i,ATS4i,ATS5i,ATS6i,ATS7i,ATS8i,ATS0s,ATS1s,ATS2s,ATS3s,ATS4s,ATS5s,ATS6s,ATS7s,ATS8s,AATS0m,AATS1m,AATS2m,AATS3m,AATS4m,AATS5m,AATS6m,AATS7m,AATS8m,AATS0v,AATS1v,AATS2v,AATS3v,AATS4v,AATS5v,AATS6v,AATS7v,AATS8v,AATS0e,AATS1e,AATS2e,AATS3e,AATS4e,AATS5e,AATS6e,AATS7e,AATS8e,AATS0p,AATS1p,AATS2p,AATS3p,AATS4p,AATS5p,AATS6p,AATS7p,AATS8p,AATS0i,AATS1i,AATS2i,AATS3i,AATS4i,AATS5i,AATS6i,AATS7i,AATS8i,AATS0s,AATS1s,AATS2s,AATS3s,AATS4s,AATS5s,AATS6s,AATS7s,AATS8s,ATSC0c,ATSC1c,ATSC2c,ATSC3c,ATSC4c,ATSC5c,ATSC6c,ATSC7c,ATSC8c,ATSC0m,ATSC1m,ATSC2m,ATSC3m,ATSC4m,ATSC5m,ATSC6m,ATSC7m,ATSC8m,ATSC0v,ATSC1v,ATSC2v,ATSC3v,ATSC4v,ATSC5v,ATSC6v,ATSC7v,ATSC8v,ATSC0e,ATSC1e,ATSC2e,ATSC3e,ATSC4e,ATSC5e,ATSC6e,ATSC7e,ATSC8e,ATSC0p,ATSC1p,ATSC2p,ATSC3p,ATSC4p,ATSC5p,ATSC6p,ATSC7p,ATSC8p,ATSC0i,ATSC1i,ATSC2i,ATSC3i,ATSC4i,ATSC5i,ATSC6i,ATSC7i,ATSC8i,ATSC0s,ATSC1s,ATSC2s,ATSC3s,ATSC4s,ATSC5s,ATSC6s,ATSC7s,ATSC8s,AATSC0c,AATSC1c,AATSC2c,AATSC3c,AATSC4c,AATSC5c,AATSC6c,AATSC7c,AATSC8c,AATSC0m,AATSC1m,AATSC2m,AATSC3m,AATSC4m,AATSC5m,AATSC6m,AATSC7m,AATSC8m,AATSC0v,AATSC1v,AATSC2v,AATSC3v,AATSC4v,AATSC5v,AATSC6v,AATSC7v,AATSC8v,AATSC0e,AATSC1e,AATSC2e,AATSC3e,AATSC4e,AATSC5e,AATSC6e,AATSC7e,AATSC8e,AATSC0p,AATSC1p,AATSC2p,AATSC3p,AATSC4p,AATSC5p,AATSC6p,AATSC7p,AATSC8p,AATSC0i,AATSC1i,AATSC2i,AATSC3i,AATSC4i,AATSC5i,AATSC6i,AATSC7i,AATSC8i,AATSC0s,AATSC1s,AATSC2s,AATSC3s,AATSC4s,AATSC5s,AATSC6s,AATSC7s,AATSC8s,MATS1c,MATS2c,MATS3c,MATS4c,MATS5c,MATS6c,MATS7c,MATS8c,MATS1m,MATS2m,MATS3m,MATS4m,MATS5m,MATS6m,MATS7m,MATS8m,MATS1v,MATS2v,MATS3v,MATS4v,MATS5v,MATS6v,MATS7v,MATS8v,MATS1e,MATS2e,MATS3e,MATS4e,MATS5e,MATS6e,MATS7e,MATS8e,MATS1p,MATS2p,MATS3p,MATS4p,MATS5p,MATS6p,MATS7p,MATS8p,MATS1i,MATS2i,MATS3i,MATS4i,MATS5i,MATS6i,MATS7i,MATS8i,MATS1s,MATS2s,MATS3s,MATS4s,MATS5s,MATS6s,MATS7s,MATS8s,GATS1c,GATS2c,GATS3c,GATS4c,GATS5c,GATS6c,GATS7c,GATS8c,GATS1m,GATS2m,GATS3m,GATS4m,GATS5m,GATS6m,GATS7m,GATS8m,GATS1v,GATS2v,GATS3v,GATS4v,GATS5v,GATS6v,GATS7v,GATS8v,GATS1e,GATS2e,GATS3e,GATS4e,GATS5e,GATS6e,GATS7e,GATS8e,GATS1p,GATS2p,GATS3p,GATS4p,GATS5p,GATS6p,GATS7p,GATS8p,GATS1i,GATS2i,GATS3i,GATS4i,GATS5i,GATS6i,GATS7i,GATS8i,GATS1s,GATS2s,GATS3s,GATS4s,GATS5s,GATS6s,GATS7s,GATS8s,SpAbs_DzZ,SpMax_DzZ,SpDiam_DzZ,SpAD_DzZ,SpMAD_DzZ,EE_DzZ,SM1_DzZ,VE1_DzZ,VE2_DzZ,VE3_DzZ,VR1_DzZ,VR2_DzZ,VR3_DzZ,SpAbs_Dzm,SpMax_Dzm,SpDiam_Dzm,SpAD_Dzm,SpMAD_Dzm,EE_Dzm,SM1_Dzm,VE1_Dzm,VE2_Dzm,VE3_Dzm,VR1_Dzm,VR2_Dzm,VR3_Dzm,SpAbs_Dzv,SpMax_Dzv,SpDiam_Dzv,SpAD_Dzv,SpMAD_Dzv,EE_Dzv,SM1_Dzv,VE1_Dzv,VE2_Dzv,VE3_Dzv,VR1_Dzv,VR2_Dzv,VR3_Dzv,SpAbs_Dze,SpMax_Dze,SpDiam_Dze,SpAD_Dze,SpMAD_Dze,EE_Dze,SM1_Dze,VE1_Dze,VE2_Dze,VE3_Dze,VR1_Dze,VR2_Dze,VR3_Dze,SpAbs_Dzp,SpMax_Dzp,SpDiam_Dzp,SpAD_Dzp,SpMAD_Dzp,EE_Dzp,SM1_Dzp,VE1_Dzp,VE2_Dzp,VE3_Dzp,VR1_Dzp,VR2_Dzp,VR3_Dzp,SpAbs_Dzi,SpMax_Dzi,SpDiam_Dzi,SpAD_Dzi,SpMAD_Dzi,EE_Dzi,SM1_Dzi,VE1_Dzi,VE2_Dzi,VE3_Dzi,VR1_Dzi,VR2_Dzi,VR3_Dzi,SpAbs_Dzs,SpMax_Dzs,SpDiam_Dzs,SpAD_Dzs,SpMAD_Dzs,EE_Dzs,SM1_Dzs,VE1_Dzs,VE2_Dzs,VE3_Dzs,VR1_Dzs,VR2_Dzs,VR3_Dzs,nBase,BCUTw-1l,BCUTw-1h,BCUTc-1l,BCUTc-1h,BCUTp-1l,BCUTp-1h,nBonds,nBonds2,nBondsS,nBondsS2,nBondsS3,nBondsD,nBondsD2,nBondsT,nBondsQ,nBondsM,bpol,SpMax1_Bhm,SpMax2_Bhm,SpMax3_Bhm,SpMax4_Bhm,SpMax5_Bhm,SpMax6_Bhm,SpMax7_Bhm,SpMax8_Bhm,SpMin1_Bhm,SpMin2_Bhm,SpMin3_Bhm,SpMin4_Bhm,SpMin5_Bhm,SpMin6_Bhm,SpMin7_Bhm,SpMin8_Bhm,SpMax1_Bhv,SpMax2_Bhv,SpMax3_Bhv,SpMax4_Bhv,SpMax5_Bhv,SpMax6_Bhv,SpMax7_Bhv,SpMax8_Bhv,SpMin1_Bhv,SpMin2_Bhv,SpMin3_Bhv,SpMin4_Bhv,SpMin5_Bhv,SpMin6_Bhv,SpMin7_Bhv,SpMin8_Bhv,SpMax1_Bhe,SpMax2_Bhe,SpMax3_Bhe,SpMax4_Bhe,SpMax5_Bhe,SpMax6_Bhe,SpMax7_Bhe,SpMax8_Bhe,SpMin1_Bhe,SpMin2_Bhe,SpMin3_Bhe,SpMin4_Bhe,SpMin5_Bhe,SpMin6_Bhe,SpMin7_Bhe,SpMin8_Bhe,SpMax1_Bhp,SpMax2_Bhp,SpMax3_Bhp,SpMax4_Bhp,SpMax5_Bhp,SpMax6_Bhp,SpMax7_Bhp,SpMax8_Bhp,SpMin1_Bhp,SpMin2_Bhp,SpMin3_Bhp,SpMin4_Bhp,SpMin5_Bhp,SpMin6_Bhp,SpMin7_Bhp,SpMin8_Bhp,SpMax1_Bhi,SpMax2_Bhi,SpMax3_Bhi,SpMax4_Bhi,SpMax5_Bhi,SpMax6_Bhi,SpMax7_Bhi,SpMax8_Bhi,SpMin1_Bhi,SpMin2_Bhi,SpMin3_Bhi,SpMin4_Bhi,SpMin5_Bhi,SpMin6_Bhi,SpMin7_Bhi,SpMin8_Bhi,SpMax1_Bhs,SpMax2_Bhs,SpMax3_Bhs,SpMax4_Bhs,SpMax5_Bhs,SpMax6_Bhs,SpMax7_Bhs,SpMax8_Bhs,SpMin1_Bhs,SpMin2_Bhs,SpMin3_Bhs,SpMin4_Bhs,SpMin5_Bhs,SpMin6_Bhs,SpMin7_Bhs,SpMin8_Bhs,C1SP1,C2SP1,C1SP2,C2SP2,C3SP2,C1SP3,C2SP3,C3SP3,C4SP3,SCH-3,SCH-4,SCH-5,SCH-6,SCH-7,VCH-3,VCH-4,VCH-5,VCH-6,VCH-7,SC-3,SC-4,SC-5,SC-6,VC-3,VC-4,VC-5,VC-6,SPC-4,SPC-5,SPC-6,VPC-4,VPC-5,VPC-6,SP-0,SP-1,SP-2,SP-3,SP-4,SP-5,SP-6,SP-7,ASP-0,ASP-1,ASP-2,ASP-3,ASP-4,ASP-5,ASP-6,ASP-7,VP-0,VP-1,VP-2,VP-3,VP-4,VP-5,VP-6,VP-7,AVP-0,AVP-1,AVP-2,AVP-3,AVP-4,AVP-5,AVP-6,AVP-7,Sv,Sse,Spe,Sare,Sp,Si,Mv,Mse,Mpe,Mare,Mp,Mi,CrippenLogP,CrippenMR,SpMax_Dt,SpDiam_Dt,SpAD_Dt,SpMAD_Dt,EE_Dt,VE1_Dt,VE2_Dt,VE3_Dt,VR1_Dt,VR2_Dt,VR3_Dt,ECCEN,nHBd,nwHBd,nHBa,nwHBa,nHBint2,nHBint3,nHBint4,nHBint5,nHBint6,nHBint7,nHBint8,nHBint9,nHBint10,nHsOH,nHdNH,nHsSH,nHsNH2,nHssNH,nHaaNH,nHsNH3p,nHssNH2p,nHsssNHp,nHtCH,nHdCH2,nHdsCH,nHaaCH,nHCHnX,nHCsats,nHCsatu,nHAvin,nHother,nHmisc,nsLi,nssBe,nssssBem,nsBH2,nssBH,nsssB,nssssBm,nsCH3,ndCH2,nssCH2,ntCH,ndsCH,naaCH,nsssCH,nddC,ntsC,ndssC,naasC,naaaC,nssssC,nsNH3p,nsNH2,nssNH2p,ndNH,nssNH,naaNH,ntN,nsssNHp,ndsN,naaN,nsssN,nddsN,naasN,nssssNp,nsOH,ndO,nssO,naaO,naOm,nsOm,nsF,nsSiH3,nssSiH2,nsssSiH,nssssSi,nsPH2,nssPH,nsssP,ndsssP,nddsP,nsssssP,nsSH,ndS,nssS,naaS,ndssS,nddssS,nssssssS,nSm,nsCl,nsGeH3,nssGeH2,nsssGeH,nssssGe,nsAsH2,nssAsH,nsssAs,ndsssAs,nddsAs,nsssssAs,nsSeH,ndSe,nssSe,naaSe,ndssSe,nssssssSe,nddssSe,nsBr,nsSnH3,nssSnH2,nsssSnH,nssssSn,nsI,nsPbH3,nssPbH2,nsssPbH,nssssPb,SHBd,SwHBd,SHBa,SwHBa,SHBint2,SHBint3,SHBint4,SHBint5,SHBint6,SHBint7,SHBint8,SHBint9,SHBint10,SHsOH,SHdNH,SHsSH,SHsNH2,SHssNH,SHaaNH,SHsNH3p,SHssNH2p,SHsssNHp,SHtCH,SHdCH2,SHdsCH,SHaaCH,SHCHnX,SHCsats,SHCsatu,SHAvin,SHother,SHmisc,SsLi,SssBe,SssssBem,SsBH2,SssBH,SsssB,SssssBm,SsCH3,SdCH2,SssCH2,StCH,SdsCH,SaaCH,SsssCH,SddC,StsC,SdssC,SaasC,SaaaC,SssssC,SsNH3p,SsNH2,SssNH2p,SdNH,SssNH,SaaNH,StN,SsssNHp,SdsN,SaaN,SsssN,SddsN,SaasN,SssssNp,SsOH,SdO,SssO,SaaO,SaOm,SsOm,SsF,SsSiH3,SssSiH2,SsssSiH,SssssSi,SsPH2,SssPH,SsssP,SdsssP,SddsP,SsssssP,SsSH,SdS,SssS,SaaS,SdssS,SddssS,SssssssS,SSm,SsCl,SsGeH3,SssGeH2,SsssGeH,SssssGe,SsAsH2,SssAsH,SsssAs,SdsssAs,SddsAs,SsssssAs,SsSeH,SdSe,SssSe,SaaSe,SdssSe,SssssssSe,SddssSe,SsBr,SsSnH3,SssSnH2,SsssSnH,SssssSn,SsI,SsPbH3,SssPbH2,SsssPbH,SssssPb,minHBd,minwHBd,minHBa,minwHBa,minHBint2,minHBint3,minHBint4,minHBint5,minHBint6,minHBint7,minHBint8,minHBint9,minHBint10,minHsOH,minHdNH,minHsSH,minHsNH2,minHssNH,minHaaNH,minHsNH3p,minHssNH2p,minHsssNHp,minHtCH,minHdCH2,minHdsCH,minHaaCH,minHCHnX,minHCsats,minHCsatu,minHAvin,minHother,minHmisc,minsLi,minssBe,minssssBem,minsBH2,minssBH,minsssB,minssssBm,minsCH3,mindCH2,minssCH2,mintCH,mindsCH,minaaCH,minsssCH,minddC,mintsC,mindssC,minaasC,minaaaC,minssssC,minsNH3p,minsNH2,minssNH2p,mindNH,minssNH,minaaNH,mintN,minsssNHp,mindsN,minaaN,minsssN,minddsN,minaasN,minssssNp,minsOH,mindO,minssO,minaaO,minaOm,minsOm,minsF,minsSiH3,minssSiH2,minsssSiH,minssssSi,minsPH2,minssPH,minsssP,mindsssP,minddsP,minsssssP,minsSH,mindS,minssS,minaaS,mindssS,minddssS,minssssssS,minSm,minsCl,minsGeH3,minssGeH2,minsssGeH,minssssGe,minsAsH2,minssAsH,minsssAs,mindsssAs,minddsAs,minsssssAs,minsSeH,mindSe,minssSe,minaaSe,mindssSe,minssssssSe,minddssSe,minsBr,minsSnH3,minssSnH2,minsssSnH,minssssSn,minsI,minsPbH3,minssPbH2,minsssPbH,minssssPb,maxHBd,maxwHBd,maxHBa,maxwHBa,maxHBint2,maxHBint3,maxHBint4,maxHBint5,maxHBint6,maxHBint7,maxHBint8,maxHBint9,maxHBint10,maxHsOH,maxHdNH,maxHsSH,maxHsNH2,maxHssNH,maxHaaNH,maxHsNH3p,maxHssNH2p,maxHsssNHp,maxHtCH,maxHdCH2,maxHdsCH,maxHaaCH,maxHCHnX,maxHCsats,maxHCsatu,maxHAvin,maxHother,maxHmisc,maxsLi,maxssBe,maxssssBem,maxsBH2,maxssBH,maxsssB,maxssssBm,maxsCH3,maxdCH2,maxssCH2,maxtCH,maxdsCH,maxaaCH,maxsssCH,maxddC,maxtsC,maxdssC,maxaasC,maxaaaC,maxssssC,maxsNH3p,maxsNH2,maxssNH2p,maxdNH,maxssNH,maxaaNH,maxtN,maxsssNHp,maxdsN,maxaaN,maxsssN,maxddsN,maxaasN,maxssssNp,maxsOH,maxdO,maxssO,maxaaO,maxaOm,maxsOm,maxsF,maxsSiH3,maxssSiH2,maxsssSiH,maxssssSi,maxsPH2,maxssPH,maxsssP,maxdsssP,maxddsP,maxsssssP,maxsSH,maxdS,maxssS,maxaaS,maxdssS,maxddssS,maxssssssS,maxSm,maxsCl,maxsGeH3,maxssGeH2,maxsssGeH,maxssssGe,maxsAsH2,maxssAsH,maxsssAs,maxdsssAs,maxddsAs,maxsssssAs,maxsSeH,maxdSe,maxssSe,maxaaSe,maxdssSe,maxssssssSe,maxddssSe,maxsBr,maxsSnH3,maxssSnH2,maxsssSnH,maxssssSn,maxsI,maxsPbH3,maxssPbH2,maxsssPbH,maxssssPb,sumI,meanI,hmax,gmax,hmin,gmin,LipoaffinityIndex,MAXDN,MAXDP,DELS,MAXDN2,MAXDP2,DELS2,ETA_Alpha,ETA_AlphaP,ETA_dAlpha_A,ETA_dAlpha_B,ETA_Epsilon_1,ETA_Epsilon_2,ETA_Epsilon_3,ETA_Epsilon_4,ETA_Epsilon_5,ETA_dEpsilon_A,ETA_dEpsilon_B,ETA_dEpsilon_C,ETA_dEpsilon_D,ETA_Psi_1,ETA_dPsi_A,ETA_dPsi_B,ETA_Shape_P,ETA_Shape_Y,ETA_Shape_X,ETA_Beta,ETA_BetaP,ETA_Beta_s,ETA_BetaP_s,ETA_Beta_ns,ETA_BetaP_ns,ETA_dBeta,ETA_dBetaP,ETA_Beta_ns_d,ETA_BetaP_ns_d,ETA_Eta,ETA_EtaP,ETA_Eta_R,ETA_Eta_F,ETA_EtaP_F,ETA_Eta_L,ETA_EtaP_L,ETA_Eta_R_L,ETA_Eta_F_L,ETA_EtaP_F_L,ETA_Eta_B,ETA_EtaP_B,ETA_Eta_B_RC,ETA_EtaP_B_RC,FMF,fragC,nHBAcc,nHBAcc2,nHBAcc3,nHBAcc_Lipinski,nHBDon,nHBDon_Lipinski,HybRatio,IC0,IC1,IC2,IC3,IC4,IC5,TIC0,TIC1,TIC2,TIC3,TIC4,TIC5,SIC0,SIC1,SIC2,SIC3,SIC4,SIC5,CIC0,CIC1,CIC2,CIC3,CIC4,CIC5,BIC0,BIC1,BIC2,BIC3,BIC4,BIC5,MIC0,MIC1,MIC2,MIC3,MIC4,MIC5,ZMIC0,ZMIC1,ZMIC2,ZMIC3,ZMIC4,ZMIC5,Kier1,Kier2,Kier3,nAtomLC,nAtomP,nAtomLAC,MLogP,McGowan_Volume,MDEC-11,MDEC-12,MDEC-13,MDEC-14,MDEC-22,MDEC-23,MDEC-24,MDEC-33,MDEC-34,MDEC-44,MDEO-11,MDEO-12,MDEO-22,MDEN-11,MDEN-12,MDEN-13,MDEN-22,MDEN-23,MDEN-33,MLFER_A,MLFER_BH,MLFER_BO,MLFER_S,MLFER_E,MLFER_L,MPC2,MPC3,MPC4,MPC5,MPC6,MPC7,MPC8,MPC9,MPC10,TPC,piPC1,piPC2,piPC3,piPC4,piPC5,piPC6,piPC7,piPC8,piPC9,piPC10,TpiPC,R_TpiPCTPC,PetitjeanNumber,nRing,n3Ring,n4Ring,n5Ring,n6Ring,n7Ring,n8Ring,n9Ring,n10Ring,n11Ring,n12Ring,nG12Ring,nFRing,nF4Ring,nF5Ring,nF6Ring,nF7Ring,nF8Ring,nF9Ring,nF10Ring,nF11Ring,nF12Ring,nFG12Ring,nTRing,nT4Ring,nT5Ring,nT6Ring,nT7Ring,nT8Ring,nT9Ring,nT10Ring,nT11Ring,nT12Ring,nTG12Ring,nHeteroRing,n3HeteroRing,n4HeteroRing,n5HeteroRing,n6HeteroRing,n7HeteroRing,n8HeteroRing,n9HeteroRing,n10HeteroRing,n11HeteroRing,n12HeteroRing,nG12HeteroRing,nFHeteroRing,nF4HeteroRing,nF5HeteroRing,nF6HeteroRing,nF7HeteroRing,nF8HeteroRing,nF9HeteroRing,nF10HeteroRing,nF11HeteroRing,nF12HeteroRing,nFG12HeteroRing,nTHeteroRing,nT4HeteroRing,nT5HeteroRing,nT6HeteroRing,nT7HeteroRing,nT8HeteroRing,nT9HeteroRing,nT10HeteroRing,nT11HeteroRing,nT12HeteroRing,nTG12HeteroRing,nRotB,RotBFrac,nRotBt,RotBtFrac,LipinskiFailures,topoRadius,topoDiameter,topoShape,GGI1,GGI2,GGI3,GGI4,GGI5,GGI6,GGI7,GGI8,GGI9,GGI10,JGI1,JGI2,JGI3,JGI4,JGI5,JGI6,JGI7,JGI8,JGI9,JGI10,JGT,SpMax_D,SpDiam_D,SpAD_D,SpMAD_D,EE_D,VE1_D,VE2_D,VE3_D,VR1_D,VR2_D,VR3_D,TopoPSA,VABC,VAdjMat,MWC2,MWC3,MWC4,MWC5,MWC6,MWC7,MWC8,MWC9,MWC10,TWC,SRW2,SRW3,SRW4,SRW5,SRW6,SRW7,SRW8,SRW9,SRW10,TSRW,MW,AMW,WTPT-1,WTPT-2,WTPT-3,WTPT-4,WTPT-5,WPATH,WPOL,XLogP,Zagreb,TDB1u,TDB2u,TDB3u,TDB4u,TDB5u,TDB6u,TDB7u,TDB8u,TDB9u,TDB10u,TDB1m,TDB2m,TDB3m,TDB4m,TDB5m,TDB6m,TDB7m,TDB8m,TDB9m,TDB10m,TDB1v,TDB2v,TDB3v,TDB4v,TDB5v,TDB6v,TDB7v,TDB8v,TDB9v,TDB10v,TDB1e,TDB2e,TDB3e,TDB4e,TDB5e,TDB6e,TDB7e,TDB8e,TDB9e,TDB10e,TDB1p,TDB2p,TDB3p,TDB4p,TDB5p,TDB6p,TDB7p,TDB8p,TDB9p,TDB10p,TDB1i,TDB2i,TDB3i,TDB4i,TDB5i,TDB6i,TDB7i,TDB8i,TDB9i,TDB10i,TDB1s,TDB2s,TDB3s,TDB4s,TDB5s,TDB6s,TDB7s,TDB8s,TDB9s,TDB10s,TDB1r,TDB2r,TDB3r,TDB4r,TDB5r,TDB6r,TDB7r,TDB8r,TDB9r,TDB10r,PPSA-1,PPSA-2,PPSA-3,PNSA-1,PNSA-2,PNSA-3,DPSA-1,DPSA-2,DPSA-3,FPSA-1,FPSA-2,FPSA-3,FNSA-1,FNSA-2,FNSA-3,WPSA-1,WPSA-2,WPSA-3,WNSA-1,WNSA-2,WNSA-3,RPCG,RNCG,RPCS,RNCS,THSA,TPSA,RHSA,RPSA,GRAV-1,GRAV-2,GRAV-3,GRAVH-1,GRAVH-2,GRAVH-3,GRAV-4,GRAV-5,GRAV-6,LOBMAX,LOBMIN,MOMI-X,MOMI-Y,MOMI-Z,MOMI-XY,MOMI-XZ,MOMI-YZ,MOMI-R,geomRadius,geomDiameter,geomShape,RDF10u,RDF15u,RDF20u,RDF25u,RDF30u,RDF35u,RDF40u,RDF45u,RDF50u,RDF55u,RDF60u,RDF65u,RDF70u,RDF75u,RDF80u,RDF85u,RDF90u,RDF95u,RDF100u,RDF105u,RDF110u,RDF115u,RDF120u,RDF125u,RDF130u,RDF135u,RDF140u,RDF145u,RDF150u,RDF155u,RDF10m,RDF15m,RDF20m,RDF25m,RDF30m,RDF35m,RDF40m,RDF45m,RDF50m,RDF55m,RDF60m,RDF65m,RDF70m,RDF75m,RDF80m,RDF85m,RDF90m,RDF95m,RDF100m,RDF105m,RDF110m,RDF115m,RDF120m,RDF125m,RDF130m,RDF135m,RDF140m,RDF145m,RDF150m,RDF155m,RDF10v,RDF15v,RDF20v,RDF25v,RDF30v,RDF35v,RDF40v,RDF45v,RDF50v,RDF55v,RDF60v,RDF65v,RDF70v,RDF75v,RDF80v,RDF85v,RDF90v,RDF95v,RDF100v,RDF105v,RDF110v,RDF115v,RDF120v,RDF125v,RDF130v,RDF135v,RDF140v,RDF145v,RDF150v,RDF155v,RDF10e,RDF15e,RDF20e,RDF25e,RDF30e,RDF35e,RDF40e,RDF45e,RDF50e,RDF55e,RDF60e,RDF65e,RDF70e,RDF75e,RDF80e,RDF85e,RDF90e,RDF95e,RDF100e,RDF105e,RDF110e,RDF115e,RDF120e,RDF125e,RDF130e,RDF135e,RDF140e,RDF145e,RDF150e,RDF155e,RDF10p,RDF15p,RDF20p,RDF25p,RDF30p,RDF35p,RDF40p,RDF45p,RDF50p,RDF55p,RDF60p,RDF65p,RDF70p,RDF75p,RDF80p,RDF85p,RDF90p,RDF95p,RDF100p,RDF105p,RDF110p,RDF115p,RDF120p,RDF125p,RDF130p,RDF135p,RDF140p,RDF145p,RDF150p,RDF155p,RDF10i,RDF15i,RDF20i,RDF25i,RDF30i,RDF35i,RDF40i,RDF45i,RDF50i,RDF55i,RDF60i,RDF65i,RDF70i,RDF75i,RDF80i,RDF85i,RDF90i,RDF95i,RDF100i,RDF105i,RDF110i,RDF115i,RDF120i,RDF125i,RDF130i,RDF135i,RDF140i,RDF145i,RDF150i,RDF155i,RDF10s,RDF15s,RDF20s,RDF25s,RDF30s,RDF35s,RDF40s,RDF45s,RDF50s,RDF55s,RDF60s,RDF65s,RDF70s,RDF75s,RDF80s,RDF85s,RDF90s,RDF95s,RDF100s,RDF105s,RDF110s,RDF115s,RDF120s,RDF125s,RDF130s,RDF135s,RDF140s,RDF145s,RDF150s,RDF155s,L1u,L2u,L3u,P1u,P2u,E1u,E2u,E3u,Tu,Au,Vu,Ku,Du,L1m,L2m,L3m,P1m,P2m,E1m,E2m,E3m,Tm,Am,Vm,Km,Dm,L1v,L2v,L3v,P1v,P2v,E1v,E2v,E3v,Tv,Av,Vv,Kv,Dv,L1e,L2e,L3e,P1e,P2e,E1e,E2e,E3e,Te,Ae,Ve,Ke,De,L1p,L2p,L3p,P1p,P2p,E1p,E2p,E3p,Tp,Ap,Vp,Kp,Dp,L1i,L2i,L3i,P1i,P2i,E1i,E2i,E3i,Ti,Ai,Vi,Ki,Di,L1s,L2s,L3s,P1s,P2s,E1s,E2s,E3s,Ts,As,Vs,Ks,Ds +UMLYSI0001,L,"1,2-diphenylbenzene",C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=CC=C3,aromatic,C18H14,84-15-1,6766,PubChem,,1338.9,0,3.4278,11.74981284,87.987,41.015102,18,18,32,18,14,0,18,0,0,0,0,0,0,0,0,0,2610.979074,3054.781652,4089.86561,4173.684842,3884.140536,3907.338648,3117.444642,1872.571354,835.455268,8058.476654,10076.65066,14224.0647,15254.40559,14376.28804,14574.67753,12815.24705,8695.721374,4486.139845,229.787784,250.457168,395.347112,511.956008,490.156512,497.673312,515.2914,438.337,280.010128,56.42478067,71.36762034,103.6906407,115.2626485,109.2402356,111.0227113,102.3044159,73.75253883,40.54029268,4871.145538,4679.60279,7584.084594,10536.91405,10098.40769,10219.73513,10932.45724,9802.62792,6528.310811,81.11111111,100.3333333,146.2222222,166.4444444,160.6666667,169,164.6666667,125.3333333,72,81.59309606,89.84651918,75.73825204,58.78429355,57.11971376,56.62809635,43.29784225,30.20276377,20.8863817,251.8273954,296.3720784,263.4086056,214.850783,211.4160006,211.2272106,177.9895424,140.2535705,112.1534961,7.18086825,7.366387294,7.321242815,7.210648,7.208184,7.212656696,7.156825,7.069951613,7.0002532,1.763274396,2.099047657,1.92019705,1.623417584,1.606474053,1.609024802,1.420894665,1.189557078,1.013507317,152.2232981,137.6353762,140.446011,148.4072402,148.5059954,148.1121034,151.8396839,158.1069019,163.2077703,2.534722222,2.950980392,2.70781893,2.34428795,2.362745098,2.449275362,2.287037037,2.021505376,1.8,0.102124652,-0.006557121,-0.0421879,-9.12E-04,0.01113262,0.005767173,-0.030014442,-0.013856845,0.002370382,953.3948209,46.34558157,-231.7279079,10.87702425,-73.77459923,-171.6678174,-374.5479653,-91.74533495,109.7160707,1772.878381,86.18158796,-430.9079398,20.22629105,-137.1870176,-319.223637,-696.4879353,-170.604368,204.0217184,0.1867635,0.009078781,-0.045393906,0.002130734,-0.014451937,-0.033628547,-0.073371375,-0.017972281,0.021492625,7.925591243,0.385271797,-1.926358983,0.090420932,-0.613289799,-1.427078185,-3.113625131,-0.762680903,0.912072008,43.05193742,2.092802514,-10.46401257,0.491167937,-3.33139992,-7.751911351,-16.91326113,-4.142894772,4.954389624,7.097222222,-0.485243056,-2.629340278,0.134982639,0.598958333,0.092447917,-2.371527778,-0.959201389,0.267361111,0.003191395,-1.93E-04,-7.81E-04,-1.28E-05,1.64E-04,8.36E-05,-4.17E-04,-2.23E-04,5.93E-05,29.79358815,1.36310534,-4.291257553,0.153197525,-1.084920577,-2.487939383,-5.202055074,-1.479763467,2.742901766,55.4024494,2.534752587,-7.979776663,0.284877339,-2.017456141,-4.626429522,-9.673443546,-2.751683355,5.100542961,0.005836359,2.67E-04,-8.41E-04,3.00E-05,-2.13E-04,-4.87E-04,-0.001019047,-2.90E-04,5.37E-04,0.247674726,0.011331523,-0.035673314,0.001273534,-0.009018968,-0.020682293,-0.043244793,-0.012301305,0.0228018,1.345373044,0.061553015,-0.193778011,0.006917858,-0.048991175,-0.112346541,-0.234906405,-0.066820883,0.123859741,0.221788194,-0.014271855,-0.048691487,0.001901164,0.008808211,0.001339825,-0.032937886,-0.01547099,0.006684028,-0.060430149,-0.244801194,-0.004023593,0.051298879,0.026189867,-0.130622252,-0.07003128,0.018568539,0.045751634,-0.144032922,0.005141963,-0.036414566,-0.083505866,-0.174603175,-0.049667179,0.092063492,0.045751634,-0.144032922,0.005141963,-0.036414566,-0.083505866,-0.174603175,-0.049667179,0.092063492,0.045751634,-0.144032922,0.005141963,-0.036414566,-0.083505866,-0.174603175,-0.049667179,0.092063492,0.045751634,-0.144032922,0.005141963,-0.036414566,-0.083505866,-0.174603175,-0.049667179,0.092063492,0.045751634,-0.144032922,0.005141963,-0.036414566,-0.083505866,-0.174603175,-0.049667179,0.092063492,-0.064349027,-0.21954048,0.00857198,0.039714516,0.006041011,-0.148510546,-0.069755697,0.030136986,0.945287779,1.087040113,0.856066763,0.813720051,0.922115358,1.170561494,1.177703061,1.126450604,0.810457516,1.020576132,0.942544154,0.984126984,1.026915114,1.148148148,1.079365079,0.984126984,0.810457516,1.020576132,0.942544154,0.984126984,1.026915114,1.148148148,1.079365079,0.984126984,0.810457516,1.020576132,0.942544154,0.984126984,1.026915114,1.148148148,1.079365079,0.984126984,0.810457516,1.020576132,0.942544154,0.984126984,1.026915114,1.148148148,1.079365079,0.984126984,0.810457516,1.020576132,0.942544154,0.984126984,1.026915114,1.148148148,1.079365079,0.984126984,0.942097387,1.060520403,0.861277253,0.849315068,0.949544797,1.179604262,1.15851272,1.091976517,100.0955063,50.04775315,73.15105667,100.0955063,5.560861461,50.04775315,-9.95E-14,6.11E-16,3.39E-17,-63.05769446,173.5687417,9.64270787,9.281832708,100.0955063,50.04775315,73.15105667,100.0955063,5.560861461,50.04775315,-9.95E-14,6.11E-16,3.39E-17,-63.05769446,173.5687417,9.64270787,9.281832708,100.0955063,50.04775315,73.15105667,100.0955063,5.560861461,50.04775315,-9.95E-14,6.11E-16,3.39E-17,-63.05769446,173.5687417,9.64270787,9.281832708,100.0955063,50.04775315,73.15105667,100.0955063,5.560861461,50.04775315,-9.95E-14,6.11E-16,3.39E-17,-63.05769446,173.5687417,9.64270787,9.281832708,100.0955063,50.04775315,73.15105667,100.0955063,5.560861461,50.04775315,-9.95E-14,6.11E-16,3.39E-17,-63.05769446,173.5687417,9.64270787,9.281832708,100.0955063,50.04775315,73.15105667,100.0955063,5.560861461,50.04775315,-9.95E-14,6.11E-16,3.39E-17,-63.05769446,173.5687417,9.64270787,9.281832708,116.5424455,57.78706694,86.64869843,116.4848323,6.471379573,57.78706694,-0.103703704,0.009094201,5.05E-04,-8.460212976,171.6141571,9.534119839,9.261447632,0,11.85,12.15023662,-0.20764077,0.092708196,6.735529297,10.97867025,20,34,25,16,2,9,0,0,0,18,15.304898,3.947353982,3.72986586,3.551415418,2.829591358,2.763780578,2.619181914,2.619181914,2.402020662,2.070114849,1.917565027,1.777594196,1.121936397,1.103685507,1.082250302,1.082250302,0.895289185,3.954513151,3.741211892,3.565135077,2.845509288,2.781408793,2.645815032,2.645815032,2.428939936,2.049324753,1.886932551,1.740946485,1.070827707,1.043021863,1.007167592,1.007167592,0.81319331,3.987501259,3.792942278,3.627705531,2.921372981,2.86739694,2.771820215,2.771820215,2.559609059,1.994431981,1.803682352,1.64068706,0.937756171,0.886335099,0.798620231,0.798620231,0.587992164,3.959860526,3.749660871,3.575354463,2.857536876,2.79483092,2.665925019,2.665925019,2.449442383,2.036697162,1.868080416,1.718317272,1.039867029,1.006287639,0.960278991,0.960278991,0.762091537,4.004642713,3.819416426,3.659691293,2.962115903,2.914687032,2.838078588,2.838078588,2.630077997,1.978883103,1.779522058,1.611477,0.901194976,0.844235662,0.738564276,0.738564276,0.524647306,3.936426623,3.767138879,3.606292064,2.847922001,2.798823396,2.718005218,2.718005218,2.478986578,2.057538451,1.844673954,1.679928471,1.033677044,0.982676965,0.893921273,0.893921273,0.711456101,0,0,0,14,4,0,0,0,0,0,0,0,0.287457479,0.214076175,0,0,0,0.091927808,0.059852793,0.60549886,0,0.191638319,0,0.311004234,0,0.068945856,0,1.82649207,3.299659829,4.845184606,0.777510585,1.160683603,1.408689248,12.20889601,8.949489743,7.408346464,6.385515811,5.483444671,4.62176866,2.612166271,1.95538547,0.678272001,0.447474487,0.284936402,0.182443309,0.119205319,0.079685667,0.050233967,0.034305008,10.08290377,6.148717474,4.27763459,3.096652039,2.221996364,1.55502117,0.742865495,0.458653793,0.56016132,0.307435874,0.164524407,0.088475773,0.048304269,0.02681071,0.014285875,0.008046558,21.79279463,31.21485798,30.07843137,30.32,23.58988144,235.3674263,0.681024832,0.975464312,0.93995098,0.9475,0.737183795,7.355232073,5.0206,77.314,144.7773805,212.0998082,289.5547609,16.08637561,144.7773805,1.67E-16,9.25E-18,-65.39640383,202.6720793,11.25955996,9.56086074,274,0,0,0,18,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,0,0,0,0,14,0,0,0,0,0,0,0,0,0,0,0,0,0,14,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,34.66666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.3,0,0,0,0,6.3,0,0,0,0,0,0,0,0,0,0,0,0,0,29.58101285,0,0,0,0,5.085653817,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.261067649,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,2.050228647,0,0,0,0,1.261067649,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.178240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,2.178240741,0,0,0,0,1.281759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,34.66666667,1.925925926,0.45,2.178240741,0.25,1.261067649,9.861853605,0.405599017,0.178240741,3.162025699,0.405599017,0.178240741,3.162025699,9,0.5,0,0,0.525,0.7,0.444,0.444,0.7,0.081,0.081,0,0,0.71429,0,0,0,0.22222,0,28,1.55556,10,0.55556,18,1,8,0.44444,0,0,9.19869,0.51104,25.93284,16.73414,0.92967,3.18779,0.1771,8.94947,5.76168,0.32009,-0.03547,-0.00197,0.22253,0.01236,0.5625,94,0,0,0,0,0,0,0,0.988699408,1.418564443,1.974601753,2.905639062,3.577819531,3.75,31.63838107,45.39406218,63.18725609,92.98044999,114.490225,120,0.197739882,0.283712889,0.394920351,0.581127812,0.715563906,0.75,4.011300592,3.581435557,3.025398247,2.094360938,1.422180469,1.25,0.18220626,0.261425586,0.363897053,0.535476832,0.659352187,0.691083124,6.128871424,11.28725184,17.95969956,24.39410975,26.96418789,27.13771568,57.73200726,60.13465772,53.60645422,41.01842031,34.71691719,34,13.005,6.437869822,3.134693878,0,18,0,3.44,1.932,0,0,0,0,24.05774204,20.17978593,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0.003,0.301,0.304,1.461,2.4,9.672,26,35,46,58,52,57,56,52,44,464,3.401197382,3.979681654,4.59764192,5.204693265,5.789004056,5.901266279,6.372839726,6.710675351,6.998052917,7.195714657,8.497216862,10.56058055,0.444444444,3,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.1,2,0.1,1,5,9,0.8,1.5,1.555555556,1,0.444444444,0.333333333,0.158367347,0.048611111,0.032249937,0,0,0.075,0.05982906,0.038461538,0.018518519,0.013888889,0.008798186,0.004861111,0.008062484,0,0,0.227419787,67.08432649,96.10944607,134.168653,7.453814055,67.08432649,8.60E-16,4.78E-17,-62.44039391,155.2657495,8.62587497,9.081248691,0,226.3866776,5.169925001,4.532599493,5.370638028,6.224558429,7.084226422,7.949797216,8.816853241,9.686636661,10.5566197,11.42811893,109.6500481,3.713572067,0,4.976733742,0,6.472346295,0,8.066207568,0,9.708749226,9.927838643,230.1095504,7.190923452,37.39552446,2.077529136,0,0,0,585,26,5.754,92,1.245747145,2.22458633,3.04496936,3.928389796,4.58504481,5.194573558,5.667081115,5.849914955,5.749249649,5.769853803,119.8028372,175.4204827,182.2347672,231.2651654,267.0050777,221.8614657,156.3987013,106.8825841,69.97657781,27.19175037,387.6085206,602.176705,667.1538293,843.9099957,989.2908786,919.6289904,757.2245391,606.4668053,475.5219192,340.221962,9.201860573,16.30892516,22.00040969,28.32167069,33.11660105,37.18062385,39.99915505,40.81455368,39.75702827,39.53219725,2.714736783,4.359549045,5.033478063,6.373494792,7.50374672,7.362203458,6.525701299,5.60803328,4.714001461,3.851777147,169.8896702,311.0528513,448.4970229,583.3935039,675.7882108,788.2329722,900.5397655,964.9075504,975.0560415,1005.802477,3.772327375,6.109429983,7.24673568,9.359056317,11.41702734,11.87758052,11.18914484,10.09837017,8.837937051,7.692959337,0.554526446,0.896250928,1.043674945,1.322112079,1.557304129,1.543107834,1.386507257,1.206766153,1.026577127,0.855452351,259.2040396,225.0881379,16.04618656,226.9963662,-197.1195722,-11.98149459,32.20767333,422.2077101,28.02768115,0.533121808,0.462953414,0.033003236,0.466878192,-0.405428646,-0.024643119,126.0251092,109.437944,7.801662418,110.3657254,-95.83961599,-5.825407532,0.071834644,0.07107769,0.904214669,1.242825405,486.2004058,0,1,0,1589.389195,39.8671443,11.67015843,1727.980072,41.56897968,11.99995387,3444.82439,58.69262637,15.10273826,1.481977681,1.043414518,1733.508463,898.2442658,835.5746348,1.929885365,2.074630309,1.075001835,5.460136765,5.806279351,8.942458945,0.540135843,6.02152164,4.362106526,9.035891299,18.5378978,0.026121716,18.28466174,20.80787549,16.77106801,6.616878351,8.268716727,19.41912638,4.209024134,6.973749476,0.565032208,7.659732396,3.51E-04,1.153251651,3.22E-14,2.69E-49,4.40E-106,1.39E-184,8.46E-285,0,0,0,0,0,0,0,0,0.468421557,2.738449759,1.000940801,4.270214887,0.004946886,12.21624717,12.84826753,5.539728748,1.761628702,1.595178232,6.104262246,0.592533804,0.586546662,0.012619713,0.070242116,2.47E-06,0.008122446,2.27E-16,1.89E-51,3.10E-108,9.78E-187,5.96E-287,0,0,0,0,0,0,0,0,1.474392593,3.052532037,2.557322768,6.179422585,0.009268741,13.2185712,13.89436488,7.665141927,2.49127568,2.695950324,8.550760966,0.886367735,1.890310917,0.063668372,0.604043444,2.57E-05,0.084642146,2.36E-15,1.97E-50,3.23E-107,1.02E-185,6.21E-286,0,0,0,0,0,0,0,0,5.636447146,4.256572863,8.514379059,17.30956611,0.024825274,17.82953831,20.11589446,16.02436395,6.227164192,7.767678887,18.50800568,3.830422209,6.582729494,0.509382777,6.835903044,3.12E-04,1.027526458,2.87E-14,2.39E-49,3.92E-106,1.24E-184,7.54E-285,0,0,0,0,0,0,0,0,2.202827978,3.273288482,3.650589207,7.787884045,0.012235671,13.97681799,14.78428464,9.173799543,3.069774383,3.529222623,10.31077475,1.220017825,2.785304209,0.117034803,1.271967308,5.59E-05,0.183854052,5.13E-15,4.28E-50,7.01E-107,2.21E-185,1.35E-285,0,0,0,0,0,0,0,0,7.498506911,4.759815511,11.00044578,23.48879034,0.030922011,20.06472254,23.60239073,19.60291418,8.164817719,10.22884818,22.9015905,5.789308824,8.421520476,0.795864616,11.11785334,5.11E-04,1.681909148,4.70E-14,3.92E-49,6.41E-106,2.02E-184,1.23E-284,0,0,0,0,0,0,0,0,3.015186496,3.421852215,4.770567166,9.335989681,0.01556953,14.13349206,15.35805222,10.28599401,3.767282829,4.34128603,12.59525626,1.679106915,3.761012183,0.182632037,2.12220771,9.45E-05,0.310917327,8.68E-15,7.24E-50,1.19E-106,3.74E-185,2.28E-285,0,0,0,0,0,0,0,0,5.250630908,4.897382582,0.001332908,0.517336851,0.482531819,0.465969245,0.461985705,0.373323507,10.1493464,25.72787472,35.91149598,0.499803006,1.301278457,3.906772656,3.630456833,6.86E-04,0.518282898,0.481626103,0.257928929,0.253817593,0.095760947,7.537915431,14.18853958,21.73618398,0.499863502,0.607507469,4.309558513,4.010190447,8.82E-04,0.517936502,0.481957492,0.313872381,0.309717038,0.161053763,8.320630993,17.28948867,25.62536308,0.499840992,0.784643183,5.200092752,4.849738523,0.001308889,0.51736347,0.482506307,0.457040006,0.453037478,0.359895524,10.05114016,25.23224426,35.31639341,0.499804666,1.269973007,4.534311952,4.222078161,9.91E-04,0.517770341,0.482116553,0.347474183,0.343324932,0.204328885,8.757380624,19.15289277,27.92923596,0.499830341,0.895128001,5.417959241,5.055128378,0.001412308,0.517252306,0.482612861,0.496149938,0.49223717,0.419371104,10.47449993,27.40327073,37.91645162,0.499797751,1.407758211,5.204400661,4.852732488,0.001307362,0.517416259,0.482453764,0.457792014,0.453590055,0.359066792,10.05844051,25.26871248,35.36017116,0.499805035,1.270448862 +UMLYSI0002,L,cyclopenta[def]phenanthrene,C1C2=CC=CC3=C2C4=C(C=CC=C41)C=C3,aromatic,C15H10,203-64-5,9147,UML,,1312.8,0,2.5572,6.53927184,69.5106,33.06793,14,16,25,15,10,0,15,0,0,0,0,0,0,0,0,0,2174.122455,2717.825058,4138.289091,4263.424227,3449.316045,1718.146593,639.714603,79.754976,3.048192,6663.590971,8770.670395,13760.77242,15032.47356,13043.56985,7961.367028,3510.425245,906.0059092,93.25123329,180.29238,206.905608,352.665036,450.715212,454.098036,363.611844,223.843692,89.73504,20.155392,46.27962905,61.3356431,98.0157991,110.9296938,99.98430978,66.51750978,31.96337672,9.793556194,1.333838715,3751.091862,3813.523887,6670.816221,8941.712306,9348.189316,7826.657043,5234.273308,2213.15885,554.7529561,60.91666667,77.88888889,124.1111111,147.3333333,140.3333333,104.6666667,56.33333333,19,3,86.9648982,97.06518064,86.21435606,68.76490689,54.75104833,33.68914888,19.99108134,6.134998154,1.016064,266.5436388,313.2382284,286.6827587,242.459251,207.0407913,156.1052358,109.7007889,69.69276225,31.08374443,7.2116952,7.389486,7.34718825,7.269600194,7.207905333,7.129644,6.995115375,6.902695385,6.718464,1.851185162,2.190558682,2.041995815,1.78918861,1.587052536,1.304264898,0.998855523,0.753350476,0.444612905,150.0436745,136.1972817,138.9753379,144.2211662,148.3839574,153.4638636,163.5710409,170.2429885,184.917652,2.436666667,2.781746032,2.585648148,2.376344086,2.227513228,2.052287582,1.760416667,1.461538462,1,0.062197065,-0.003264915,-0.022444307,0.001909578,-2.79E-04,-0.02019673,-0.003593574,0.005246594,0.011523403,726.396054,58.11168432,-14.52792108,-130.7512897,-232.4467373,-464.8934746,159.8071319,130.7512897,130.7512897,1350.764481,108.0611585,-27.01528961,-243.1376065,-432.2446338,-864.4892676,297.1681857,243.1376065,243.1376065,0.142296,0.01138368,-0.00284592,-0.02561328,-0.04553472,-0.09106944,0.03130512,0.02561328,0.02561328,6.038545709,0.483083657,-0.120770914,-1.086938228,-1.932334627,-3.864669254,1.328480056,1.086938228,1.086938228,32.80147613,2.62411809,-0.656029523,-5.904265704,-10.49647236,-20.99294472,7.216324749,5.904265704,5.904265704,4.666666667,-0.111111111,-0.888888889,-0.666666667,-0.416666667,-1.583333333,0.333333333,0.25,0.75,0.002487883,-1.17E-04,-4.68E-04,3.08E-05,-4.42E-06,-3.96E-04,-1.12E-04,4.04E-04,0.003841134,29.05584216,2.075417297,-0.302665023,-2.10889177,-3.68963075,-9.115558325,4.993972871,10.05779152,43.58376324,54.03057923,3.859327088,-0.562818534,-3.921574299,-6.861025933,-16.95076995,9.286505804,18.70289281,81.04586884,0.00569184,4.07E-04,-5.93E-05,-4.13E-04,-7.23E-04,-0.001785675,9.78E-04,0.001970252,0.00853776,0.241541828,0.017252988,-0.002516061,-0.017531262,-0.030671978,-0.075777829,0.041515002,0.083610633,0.362312743,1.312059045,0.093718503,-0.013667282,-0.095230092,-0.166610672,-0.411626367,0.225510148,0.454174285,1.968088568,0.186666667,-0.003968254,-0.018518519,-0.010752688,-0.006613757,-0.031045752,0.010416667,0.019230769,0.25,-0.046868812,-0.187946864,0.01237986,-0.001777386,-0.159177251,-0.045138458,0.162219932,1.543937192,0.071428571,-0.010416667,-0.072580645,-0.126984127,-0.31372549,0.171875,0.346153846,1.5,0.071428571,-0.010416667,-0.072580645,-0.126984127,-0.31372549,0.171875,0.346153846,1.5,0.071428571,-0.010416667,-0.072580645,-0.126984127,-0.31372549,0.171875,0.346153846,1.5,0.071428571,-0.010416667,-0.072580645,-0.126984127,-0.31372549,0.171875,0.346153846,1.5,0.071428571,-0.010416667,-0.072580645,-0.126984127,-0.31372549,0.171875,0.346153846,1.5,-0.021258503,-0.099206349,-0.057603687,-0.035430839,-0.166316527,0.055803571,0.103021978,1.339285714,0.868842463,0.955964049,0.828911231,0.927967992,1.20772256,1.296701944,1.295631961,4.29E-05,0.714285714,0.833333333,0.967741935,1.079365079,1.333333333,1,0.923076923,0,0.714285714,0.833333333,0.967741935,1.079365079,1.333333333,1,0.923076923,0,0.714285714,0.833333333,0.967741935,1.079365079,1.333333333,1,0.923076923,0,0.714285714,0.833333333,0.967741935,1.079365079,1.333333333,1,0.923076923,0,0.714285714,0.833333333,0.967741935,1.079365079,1.333333333,1,0.923076923,0,0.846938776,0.875,0.910138249,0.968253968,1.238095238,1.196428571,1.186813187,0,57.34825603,28.67412802,40.50477248,57.34825603,3.823217069,28.67412802,-1.42E-14,7.91E-16,5.27E-17,-52.15978627,2000090.629,133339.3752,21.76305458,57.34825603,28.67412802,40.50477248,57.34825603,3.823217069,28.67412802,-1.42E-14,7.91E-16,5.27E-17,-52.15978627,2000090.629,133339.3752,21.76305458,57.34825603,28.67412802,40.50477248,57.34825603,3.823217069,28.67412802,-1.42E-14,7.91E-16,5.27E-17,-52.15978627,2000090.629,133339.3752,21.76305458,57.34825603,28.67412802,40.50477248,57.34825603,3.823217069,28.67412802,-1.42E-14,7.91E-16,5.27E-17,-52.15978627,2000090.629,133339.3752,21.76305458,57.34825603,28.67412802,40.50477248,57.34825603,3.823217069,28.67412802,-1.42E-14,7.91E-16,5.27E-17,-52.15978627,2000090.629,133339.3752,21.76305458,57.34825603,28.67412802,40.50477248,57.34825603,3.823217069,28.67412802,-1.42E-14,7.91E-16,5.27E-17,-52.15978627,2000090.629,133339.3752,21.76305458,65.33634914,31.66416903,45.80748029,65.28449729,4.352299819,31.66416903,-0.155555556,0.00155064,1.03E-04,-9.70363177,126.0650985,8.404339902,7.255197643,0,11.85,12.15018815,-0.203429114,0.096794211,7.459375,10.61320456,18,28,21,12,2,7,0,0,0,16,10.93207,4.162395301,3.572235035,3.300833214,2.9239224,2.609520318,2.317845925,2.154719408,1.86631417,2.144717394,1.885956877,1.398408688,1.338258199,1.034386142,0.877507384,0.724080194,0.510642523,4.166997564,3.582628379,3.314905741,2.942929729,2.625582937,2.345392582,2.172593554,1.92176103,2.131056631,1.857025314,1.348770163,1.276588248,0.994737932,0.800873564,0.62668978,0.391201969,4.188170662,3.631098878,3.381274496,3.034111307,2.706845404,2.477014973,2.267039238,2.171835988,2.095756503,1.780343218,1.216889983,1.113707165,0.89232381,0.601493514,0.352289513,0.022706859,4.170432495,3.590423852,3.325502224,2.957325639,2.637952728,2.366293236,2.186536618,1.96313325,2.122843482,1.839408957,1.318409572,1.238859892,0.970853858,0.75418259,0.565165528,0.313675663,4.199175597,3.656577298,3.416519693,3.083310664,2.753445735,2.546066635,2.324155731,2.293695297,2.085924091,1.758630094,1.180118194,1.069174804,0.86413479,0.548364052,0.274610213,0.097232708,4.142607086,3.635517927,3.337905913,3.004802994,2.666322794,2.373067441,2.190041684,2.004677172,2.135441864,1.834677488,1.238008663,1.235777508,0.955793883,0.701374026,0.469143844,0.232765768,0,0,0,8,6,0,1,0,0,0,0,0.07856742,0.393471272,0.81437535,0,0,0.044194174,0.164171066,0.288049114,0.888888889,0,0.259259259,0,0.495790812,0,0.108322703,0,2.554496711,5.004015431,7.784447864,1.213048803,2.030726726,2.663599044,9.828062646,7.43265299,6.869879009,6.43517564,6.121704735,5.429615408,4.014541268,3.119198765,0.655204176,0.412925166,0.254439963,0.156955503,0.098737173,0.063877828,0.041818138,0.027361393,8.325908935,5.355824255,4.272837293,3.439315588,2.806928345,2.100449775,1.325505262,0.868274941,0.555060596,0.297545792,0.158253233,0.083885746,0.045273038,0.024711174,0.013807346,0.007616447,17.70913902,24.43918427,23.62745098,23.8,18.99277246,182.5682216,0.708365561,0.977567371,0.945098039,0.952,0.759710898,7.302728862,3.65489,62.973,174.3421889,191.8268515,348.6843778,23.24562519,174.3421889,5.55E-16,3.70E-17,-52.69104399,2000061.608,133337.4406,21.76303281,174,0,0,0,14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,1,0,0,8,0,0,0,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26.39481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.473194444,0,0,0,0,3.473194444,0,0,0,0,0,0,0,0,0,0,1.105185185,0,0,17.70990741,0,0,0,0,2.970925926,5.713981481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.379583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,0,0,0,0.422222222,0,0,0,0,0,0,0,0,0,0,1.105185185,0,0,2.162083333,0,0,0,0,1.485462963,1.379583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.251759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.44,0,0,0,0,0.44,0,0,0,0,0,0,0,0,0,0,1.105185185,0,0,2.251759259,0,0,0,0,1.485462963,1.477407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,27.5,1.833333333,0.538611111,2.251759259,0.1875,1.105185185,8.330616574,0.394814815,0.251759259,3.419814815,0.394814815,0.251759259,3.419814815,7.5,0.5,0,0,0.54,0.7,0.45385,0.45385,0.7,0.08615,0.08615,0,0,0.71429,0,0,0,0.4,0,23,1.53333,9,0.6,14,0.93333,5,0.33333,0,0,8.22016,0.54801,20.20284,11.98268,0.79885,3.00802,0.20053,7.43262,4.4246,0.29497,-0.01862,-0.00124,0.32538,0.02169,0.6,114,0,0,0,0,0,0,0.066666667,0.970950594,2.24385619,2.88385619,3.52385619,3.68385619,3.68385619,24.27376486,56.09640474,72.09640474,88.09640474,92.09640474,92.09640474,0.20908283,0.48318813,0.621004629,0.758821127,0.793275252,0.793275252,3.672905595,2.4,1.76,1.12,0.96,0.96,0.187807482,0.434021033,0.557813931,0.68160683,0.712555054,0.712555054,5.839061168,17.93970434,25.61970434,28.02346035,28.18471236,28.18471236,45.08385446,44.80595511,33.5487318,29.04235801,28.51632403,28.51632403,9.074074074,3.245541838,1.199286139,0,14,0,3.11,1.4867,0,0,0,0,11.89429912,21.6585631,0,8.71337376,0,0,0,0,0,0,0,0,0,0,0,0.003,0.235,0.232,1.363,2.352,8.605,27,41,62,85,96,114,135,134,124,851,3.295836866,4.051784948,4.829313238,5.597958889,6.29185845,6.7469995,7.280288193,7.80615886,8.21148822,8.431324627,9.550792958,16.5156709,0.333333333,4,0,0,1,3,0,0,0,0,0,0,0,10,0,0,0,0,0,3,2,2,0,3,14,0,1,3,0,0,3,2,2,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,6,0.5,2,1.555555556,1.319444444,0.736111111,0.104444444,0.024444444,0,0,0,0,0.111111111,0.057613169,0.048868313,0.03505291,0.011604938,0.008148148,0,0,0,0,0.272398589,40.73083227,56.78344562,81.46166454,5.430777636,40.73083227,4.16E-17,2.78E-18,-56.57644473,2000087.034,133339.1356,21.76305188,0,167.4151824,4.906890596,4.510859507,5.424950017,6.357842267,7.289610521,8.229244417,9.165656764,10.10646921,11.04444068,11.98525763,107.114331,3.610917913,0,4.976733742,2.397895273,6.572282543,4.844187086,8.27614022,7.095893221,10.03569932,10.27525798,190.0782503,7.603130013,32.37100441,2.158066961,0,0,0,300,27,4.22,90,1.310727955,2.338794406,3.274165316,4.321578412,5.441979913,6.475892939,7.530427086,8.516895786,0,0,137.0117054,210.2935869,235.7571162,248.759762,186.3906878,130.6397716,46.19773344,8.6537112,0,0,433.4339542,691.3433557,822.3868311,929.7934904,859.4998349,715.8273449,524.805533,264.737012,0,0,9.716918611,17.21521005,23.85941987,31.23038434,38.82704536,45.32015076,51.98019309,57.22045773,0,0,2.995279382,4.89127731,6.026877535,7.073571203,7.162501811,6.507780725,5.672965018,3.786721776,0,0,176.5680951,322.9890217,468.1705926,635.4173783,833.0832537,1057.67028,1282.006491,1574.924371,0,0,3.723033562,6.133001739,7.93278461,9.853979152,11.25185099,11.46438669,11.00588053,8.516895786,0,0,0.610196439,1.001201318,1.242364769,1.468643735,1.511219049,1.395978455,1.249338128,0.872130128,0,0,253.2753306,144.2466514,14.21729088,156.1111058,-88.90918908,-7.438140357,97.16422479,233.1558405,21.65543124,0.618670547,0.352348389,0.03472829,0.381329453,-0.217176685,-0.018168996,103.6874851,59.05262258,5.82036605,63.90976932,-36.39821609,-3.045073775,0.109529857,0.106930392,2.374564294,1.311498482,409.3864365,0,1,0,1304.724844,36.12097513,10.92713505,1403.293704,37.46056198,11.19565548,2508.968138,50.08960109,13.58829756,1.849919143,1.849919143,1249.005478,849.4796982,402.8552573,1.470318221,3.10038272,2.108647418,4.990354711,5.249871427,9.052294721,0.724288841,3.44258307,4.701894285,2.539933662,20.12232487,0.92849356,7.696200922,5.725712687,11.61583983,8.92465525,6.890454857,11.26736589,3.074085375,3.899977867,1.71873332,3.759984101,0.004340435,0.760732278,1.97E-09,9.86E-40,9.51E-92,1.77E-165,6.35E-261,0,0,0,0,0,0,0,0,0.289196953,4.701851286,0.256956087,11.57796138,0.763957232,1.527195783,3.3537091,2.769394132,5.13433547,0.544841013,2.666767004,0.370332158,0.379934063,0.144241103,0.150438205,3.06E-05,0.0053579,1.39E-11,6.95E-42,6.70E-94,1.25E-167,4.47E-263,0,0,0,0,0,0,0,0,0.932870287,4.701854361,0.718079954,12.56323799,0.797542411,2.634931843,3.837864051,4.566994172,5.881287418,1.476493785,4.234740489,0.55767967,0.997242462,0.465628045,0.594429345,3.19E-04,0.055833445,1.45E-10,7.24E-41,6.98E-93,1.30E-166,4.66E-262,0,0,0,0,0,0,0,0,3.249535031,4.701889635,2.398444842,19.33080317,0.918420696,7.264946914,5.580492703,11.07138423,8.683157294,6.373343401,10.67447952,2.779599184,3.648679416,1.622343863,3.435429423,0.00386725,0.677798764,1.76E-09,8.79E-40,8.48E-92,1.58E-165,5.66E-261,0,0,0,0,0,0,0,0,1.374731852,4.701858164,1.036076162,13.46490594,0.820597641,3.440338262,4.170227646,5.803409592,6.401984131,2.224011193,5.36680511,0.794529166,1.451055953,0.686250249,0.986151981,6.92E-04,0.121277704,3.14E-10,1.57E-40,1.52E-92,2.82E-166,1.01E-261,0,0,0,0,0,0,0,0,4.157353064,4.701913791,3.065763468,23.35776906,0.965788921,9.353790021,6.263405578,13.63498678,9.829551527,8.951144071,13.53790847,4.310864529,4.871075549,2.075620292,5.079272281,0.006330117,1.109456533,2.88E-09,1.44E-39,1.39E-91,2.58E-165,9.26E-261,0,0,0,0,0,0,0,0,1.965618605,4.612557922,1.384970882,14.08634611,0.753548681,4.28173542,4.46235451,6.79022745,7.129244317,3.329057323,7.148276496,1.240157598,2.171042444,1.022716285,1.59837606,0.001291369,0.22633357,5.87E-10,2.93E-40,2.83E-92,5.27E-166,1.89E-261,0,0,0,0,0,0,0,0,6.024413415,3.522094011,0.066069419,0.626722003,0.36640477,0.493984871,0.50079479,0.080003507,9.612576845,21.84928261,32.86375675,0.48969016,1.074783168,4.460180731,2.112400032,0.008752027,0.677701747,0.320968427,0.270763287,0.180140333,0.001403864,6.58133279,9.479209323,16.14300096,0.516552621,0.452307484,4.91092699,2.518615018,0.025268503,0.658759466,0.337850977,0.328255161,0.256083747,0.011702185,7.454810511,12.55646787,20.32381778,0.494915665,0.596041093,5.962349785,3.466162024,0.063795254,0.628124411,0.365154857,0.483859239,0.485015552,0.074590718,9.492307063,21.2679647,32.07869449,0.489918902,1.043465509,5.168973898,2.751168185,0.034723987,0.649787671,0.345847204,0.363658008,0.305557258,0.022098722,7.95486607,14.49573545,22.9444015,0.493452312,0.691313987,6.231825061,3.70901417,0.073669495,0.622279658,0.370364066,0.528584651,0.555360254,0.099468014,10.01450873,23.84626406,35.56356415,0.488965585,1.183412919,5.982776294,3.464831649,0.06376469,0.629012922,0.364283031,0.48718025,0.484643321,0.074519259,9.511372633,21.33173644,32.16490727,0.489943929,1.046342831 +UMLYSI0003,L,fluoranthene,C1=CC=C2C(=C1)C3=CC=CC4=C3C2=CC=C4,aromatic,C16H10,206-44-0,9154,PubChem,,1291.9,0,2.5688,6.59873344,75.2282,34.82793,16,17,26,16,10,0,16,0,0,0,0,0,0,0,0,0,2318.386576,2862.089179,4281.537148,4505.556245,3854.84604,2436.419006,1190.529654,157.477824,6.096384,7087.107872,9194.187297,14153.20558,15482.72839,13991.39609,9985.700303,5835.09088,1749.84433,186.5024666,187.832896,214.446124,353.487088,450.762644,442.328928,381.159032,297.486168,166.033152,40.310784,49.06852905,64.1245431,100.3600862,112.9425424,104.7900824,79.12817106,50.13168111,18.69788658,2.667677429,3877.886218,3940.318243,6612.692925,8952.646131,8867.574333,7905.875868,6591.128897,4056.482397,1109.505912,66.66666667,84.66666667,130.7777778,152.5555556,148.3333333,123,85.33333333,36,6,89.16871446,98.69273031,89.19869058,72.67026202,63.19419738,45.97016992,28.34594414,6.561576,1.016064,272.581072,317.0409413,294.8584495,249.7214256,229.367149,188.4094397,138.9307352,72.9101804,31.08374443,7.224342154,7.394693931,7.364314333,7.270365226,7.251293902,7.191679849,7.083004,6.918048,6.718464,1.887251117,2.211191141,2.090835129,1.82165391,1.717870204,1.49298436,1.193611455,0.779078607,0.444612905,149.1494699,135.8730429,137.7644359,144.3975182,145.370071,149.1674692,156.9316404,169.0200999,184.917652,2.564102564,2.91954023,2.724537037,2.460573477,2.431693989,2.320754717,2.031746032,1.5,1,0.071303005,-0.007680457,-0.030944199,0.010190351,0.011795549,-0.017594265,-0.027150821,0.002687355,0.023044984,745.0215938,53.72751879,-71.63669172,95.27679998,-257.8920902,-494.2931728,-179.0917293,206.3136721,275.0848962,1385.399467,99.90861543,-133.2114872,177.171278,-479.5613541,-919.159262,-333.0287181,383.6490833,511.532111,0.145944615,0.010524852,-0.014033136,0.018664071,-0.05051929,-0.096828639,-0.03508284,0.040415432,0.053887243,6.193380214,0.446637996,-0.595517328,0.792038047,-2.143862382,-4.109069565,-1.488793321,1.715089906,2.286786541,33.64253962,2.426144684,-3.234859579,4.30236324,-11.64549448,-22.32053109,-8.087148947,9.316395587,12.42186078,5.128205128,-0.540433925,-1.76660092,0.839579224,0.40433925,-1.812623274,-1.92504931,0.49704142,1.73964497,0.002742423,-2.65E-04,-6.45E-04,1.64E-04,1.93E-04,-3.32E-04,-6.46E-04,1.12E-04,0.003840831,28.65467669,1.852673062,-1.492431077,1.53672258,-4.227739183,-9.32628628,-4.264088793,8.596403006,45.8474827,53.2845949,3.44512467,-2.775239318,2.857601259,-7.861661542,-17.34262758,-7.929255193,15.98537847,85.25535183,0.005613254,3.63E-04,-2.92E-04,3.01E-04,-8.28E-04,-0.001826955,-8.35E-04,0.001683976,0.008981207,0.238206931,0.01540131,-0.012406611,0.012774807,-0.035145285,-0.077529614,-0.03544746,0.071462079,0.38113109,1.293943832,0.083660162,-0.067392908,0.069392955,-0.190909746,-0.421142096,-0.192551165,0.388183149,2.070310131,0.197238659,-0.018635653,-0.036804186,0.0135416,0.006628512,-0.034200439,-0.045834507,0.020710059,0.289940828,-0.096572749,-0.235073417,0.059932579,0.07051051,-0.121048883,-0.235721496,0.040829999,1.400524397,0.064655172,-0.052083333,0.053629032,-0.147540984,-0.325471698,-0.148809524,0.3,1.6,0.064655172,-0.052083333,0.053629032,-0.147540984,-0.325471698,-0.148809524,0.3,1.6,0.064655172,-0.052083333,0.053629032,-0.147540984,-0.325471698,-0.148809524,0.3,1.6,0.064655172,-0.052083333,0.053629032,-0.147540984,-0.325471698,-0.148809524,0.3,1.6,0.064655172,-0.052083333,0.053629032,-0.147540984,-0.325471698,-0.148809524,0.3,1.6,-0.094482759,-0.186597222,0.068655914,0.033606557,-0.173396226,-0.232380952,0.105,1.47,0.91912104,0.990257209,0.760236981,0.809968762,1.171190313,1.465580376,1.276777222,4.01E-05,0.700431034,0.846354167,0.851814516,1.06557377,1.303066038,1.257440476,1.015625,0,0.700431034,0.846354167,0.851814516,1.06557377,1.303066038,1.257440476,1.015625,0,0.700431034,0.846354167,0.851814516,1.06557377,1.303066038,1.257440476,1.015625,0,0.700431034,0.846354167,0.851814516,1.06557377,1.303066038,1.257440476,1.015625,0,0.700431034,0.846354167,0.851814516,1.06557377,1.303066038,1.257440476,1.015625,0,0.896551724,0.936631944,0.768817204,0.852459016,1.216194969,1.444444444,1.21875,0,67.05103003,33.52551501,47.70989147,67.05103003,4.190689377,33.52551501,-2.13E-14,0.105085839,0.006567865,-3.604764404,124.7750833,7.798442706,7.722420453,67.05103003,33.52551501,47.70989147,67.05103003,4.190689377,33.52551501,-2.13E-14,0.105085839,0.006567865,-3.604764404,124.7750833,7.798442706,7.722420453,67.05103003,33.52551501,47.70989147,67.05103003,4.190689377,33.52551501,-2.13E-14,0.105085839,0.006567865,-3.604764404,124.7750833,7.798442706,7.722420453,67.05103003,33.52551501,47.70989147,67.05103003,4.190689377,33.52551501,-2.13E-14,0.105085839,0.006567865,-3.604764404,124.7750833,7.798442706,7.722420453,67.05103003,33.52551501,47.70989147,67.05103003,4.190689377,33.52551501,-2.13E-14,0.105085839,0.006567865,-3.604764404,124.7750833,7.798442706,7.722420453,67.05103003,33.52551501,47.70989147,67.05103003,4.190689377,33.52551501,-2.13E-14,0.105085839,0.006567865,-3.604764404,124.7750833,7.798442706,7.722420453,75.79796974,37.14672115,53.97080796,75.73546974,4.733466859,37.14672115,-0.125,0.078810303,0.004925644,-4.06513846,124.0041393,7.750258703,7.712503914,0,11.85,12.15020408,-0.207320051,0.093003554,7.278453125,10.7763928,19,29,21,12,2,8,0,0,0,17,10.93207,4.122088534,3.640057688,3.304021095,2.973687481,2.648513943,2.496547777,2.184361929,2.116789597,2.075934737,1.943029458,1.541512701,1.176701228,0.98226572,0.95315177,0.8301299,0.621547409,4.126341872,3.650619041,3.318698414,2.986941353,2.6698728,2.516471684,2.201572054,2.147208158,2.059221732,1.919669915,1.496086468,1.131487141,0.929438535,0.876578649,0.768925541,0.509461501,4.146011892,3.699539986,3.387226624,3.04970898,2.773832998,2.614932246,2.300295917,2.293090817,2.015902282,1.858790664,1.37280909,1.021668123,0.793448003,0.669388779,0.602846259,0.186283227,4.129521539,3.658523593,3.329716334,2.996934074,2.68613695,2.531712682,2.215026421,2.170667189,2.049155749,1.905553711,1.46809799,1.104914221,0.897611498,0.82913902,0.731030649,0.437956847,4.156301927,3.725047064,3.423161614,3.083218774,2.8305179,2.669630587,2.385468513,2.348711061,2.003825122,1.841806105,1.33739614,0.993432965,0.756438658,0.612456778,0.556014322,0.093468514,4.093650571,3.687911712,3.379171298,3.000391289,2.732705951,2.551652494,2.215683357,2.19738474,2.069189318,1.899305812,1.399774547,1.095247781,0.879325737,0.760436887,0.704479195,0.351669734,0,0,0,10,6,0,0,0,0,0,0,0.06415003,0.437896819,0.82746992,0,0,0.03125,0.163684084,0.261961332,0.822108832,0,0.312944065,0,0.434508468,0,0.119417725,0,2.61864674,5.249433048,8.259820846,1.16390653,1.953071304,2.563818808,10.53516943,7.949489743,7.139112737,6.732596295,6.412728213,5.726658095,4.087535127,3.212164553,0.658448089,0.418394197,0.254968312,0.156572007,0.098657357,0.064344473,0.041288234,0.027221734,8.773502692,5.565384141,4.254842699,3.412107774,2.742734667,2.047848098,1.227707868,0.804252619,0.548343918,0.292914955,0.151958668,0.079351344,0.042195918,0.023009529,0.01240109,0.0068157,18.70913902,25.43918427,24.62745098,24.8,19.99277246,189.3109162,0.71958227,0.978430164,0.947209653,0.953846154,0.768952787,7.281189083,4.29719,67.717,198.0973077,218.4145395,396.1946153,24.76216346,198.0973077,0.012473441,7.80E-04,-7.014645798,119.64377,7.477735627,7.655229992,187,0,0,0,16,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,30,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.5,0,0,0,0,4.5,0,0,0,0,0,0,0,0,0,0,0,0,0,21.75611111,0,0,0,0,0,8.243888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.339074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,2.11462963,0,0,0,0,0,1.339074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.219907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,2.219907407,0,0,0,0,0,1.408518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,30,1.875,0.45,2.219907407,0.25,1.339074074,9.258536111,0.327592593,0.219907407,3.512222222,0.327592593,0.219907407,3.512222222,8,0.5,0,0,0.54615,0.7,0.45238,0.45238,0.7,0.09377,0.09377,0,0,0.71429,0,0,0,0.375,0,25.5,1.59375,9.5,0.59375,16,1,6.5,0.40625,0,0,8.19058,0.51191,22.2236,14.03302,0.87706,2.94969,0.18436,7.94946,4.99977,0.31249,-0.03546,-0.00222,0.30854,0.01928,0.615384615,121,0,0,0,0,0,0,0,0.961236605,1.548580607,2.210860643,3.10390991,3.623516641,3.777362795,24.99215172,40.26309577,57.48237672,80.70165767,94.21143267,98.21143267,0.204499294,0.329454413,0.470351877,0.660344584,0.770888865,0.803619027,3.739203113,3.151859112,2.489579075,1.596529808,1.076923077,0.923076923,0.183834373,0.296162613,0.422822204,0.5936159,0.692989537,0.722412273,5.706823504,12.75495153,20.70231196,27.31395747,29.52873398,29.68378399,46.68179113,54.68850828,44.98784399,33.81017196,29.44967159,28.92645937,9.972299169,3.75,1.378042185,0,16,0,3.22,1.5846,0,0,0,0,13.89359559,22.86401309,0,9.375499762,0,0,0,0,0,0,0,0,0,0,0,0.003,0.295,0.292,1.503,2.728,9.284,28,43,65,89,99,118,135,126,117,855,3.349904087,4.060443011,4.820281566,5.568344504,6.24876795,6.663332229,7.209848633,7.708799989,8.053509549,8.30656282,9.437935251,14.6839364,0.333333333,4,0,0,1,3,0,0,0,0,0,0,0,8,0,0,0,0,0,3,1,1,0,3,12,0,1,3,0,0,3,1,1,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,6,0.5,1.5,1.777777778,1.861111111,0.513888889,0.218888889,0.048888889,0,0,0,0,0.078947368,0.063492063,0.064176245,0.021412037,0.015634921,0.008148148,0,0,0,0,0.251810783,46.56486065,64.72192503,93.1297213,5.820607581,46.56486065,0.050600915,0.003162557,-4.774056988,219.3719375,13.7107461,8.625229815,0,171.1747083,5,4.553876892,5.468060141,6.398594935,7.333676396,8.274102002,9.214631153,10.15762577,11.09975575,12.04343018,109.5437532,3.663561646,0,5.017279837,2.397895273,6.608000625,4.94875989,8.305731145,7.260522598,10.0574525,10.30531271,202.0782503,7.772240397,34.36007465,2.147504666,0,0,0,364,29,4.814,94,1.29463139,2.310857716,3.242443009,4.301227883,5.352728511,6.391955412,7.488127801,8.775265317,0,0,136.5947584,215.0467367,246.1571828,286.6936877,259.3799755,188.3330275,50.54134244,8.916231179,0,0,431.0682429,702.2201218,839.366341,1023.006942,1046.627784,911.1058423,556.5760858,272.7681044,0,0,9.601638616,17.04642936,23.63930764,31.24765093,38.58189938,45.33722515,51.85388096,58.95630413,0,0,2.974540031,4.944717298,6.086378082,7.592948211,8.224514516,7.778383357,5.918725876,3.901596204,0,0,174.1475877,316.5767264,463.5103168,621.44565,792.2059458,998.4132456,1261.609391,1622.701458,0,0,3.866339434,6.395015767,8.158292493,10.67963179,12.69701173,13.17655993,11.35908916,8.775265317,0,0,0.605791364,1.011106307,1.252304557,1.569070166,1.717082217,1.64877474,1.29942857,0.898587169,0,0,263.517839,163.7467378,16.36676815,217.5932194,-135.2097451,-9.820252411,45.92461953,298.9564829,26.18702056,0.54772767,0.340351224,0.03401869,0.45227233,-0.281036453,-0.020411612,126.7813464,78.78036633,7.874233146,104.6865041,-65.0509036,-4.724632032,0.100389151,0.098405615,3.026968999,1.336920723,481.1110584,0,1,0,1417.468517,37.64928309,11.23322542,1516.462001,38.94177707,11.48886635,2736.677461,52.31326277,13.98753561,1.264418651,1.256438326,1498.010484,1024.26076,473.7539863,1.462528433,3.162000801,2.162009797,5.2877773,5.278386999,9.058417336,0.71613361,3.606585694,9.569994348,5.293275862,15.56771748,2.897541373,12.40827423,5.908860275,6.714878438,7.45741508,10.31740763,11.66354172,7.151186528,8.366160754,4.916798174,3.205190154,0.522295231,1.692938757,3.40E-09,3.14E-39,5.58E-91,1.91E-164,1.27E-259,0,0,0,0,0,0,0,0,0.303588955,9.569993232,0.446881836,11.36851358,0.64458368,4.653896462,1.870340032,1.997828018,4.812320679,2.533697017,6.747993715,1.495604941,1.173430516,0.267889061,0.262589792,0.003678568,0.011923506,2.40E-11,2.21E-41,3.93E-93,1.35E-166,8.93E-262,0,0,0,0,0,0,0,0,0.977801007,9.56999346,1.43613401,11.65046237,1.070657298,6.236730283,2.690265372,2.941505825,5.141238698,4.06291037,7.558911501,2.350198019,2.589877315,0.96015432,0.851888742,0.038333515,0.124252127,2.50E-10,2.30E-40,4.10E-92,1.41E-165,9.30E-261,0,0,0,0,0,0,0,0,3.404378601,9.56999428,4.996583033,15.10715914,2.747658508,11.93355678,5.660060341,6.419321308,7.220838729,9.819807135,11.29453283,6.698885353,7.907522079,4.541391752,3.021031539,0.465355648,1.508377954,3.03E-09,2.79E-39,4.97E-91,1.71E-164,1.13E-259,0,0,0,0,0,0,0,0,1.440626444,9.569993616,2.115224664,12.01479965,1.373180313,7.323296079,3.254431617,3.595003842,5.42968151,5.130366224,8.172723634,3.025875613,3.577587142,1.511585195,1.259793606,0.083265517,0.269892222,5.43E-10,5.00E-40,8.90E-92,3.05E-165,2.02E-260,0,0,0,0,0,0,0,0,4.355267547,9.569994601,6.391795933,17.50400088,3.466068036,14.16593928,6.831830952,7.816894683,8.418105259,12.18374135,13.10711818,8.946289305,10.08507715,6.409859782,3.891605041,0.761718509,2.468992072,4.96E-09,4.57E-39,8.14E-91,2.79E-164,1.85E-259,0,0,0,0,0,0,0,0,2.052212688,8.923267462,2.857989241,12.18808009,1.545784793,8.258439821,3.632829999,4.047987709,6.156615912,6.581765952,9.513821502,4.103742932,4.796869007,2.261581694,1.799719477,0.148563977,0.481547024,9.68E-10,8.92E-40,1.59E-91,5.45E-165,3.60E-260,0,0,0,0,0,0,0,0,6.902697921,3.741085683,2.90E-05,0.648517423,0.351479852,0.537291809,0.499024356,0.138041587,10.64381261,25.8238931,36.46845476,0.499995912,1.174357753,5.068641452,2.344261478,1.06E-05,0.683758342,0.316240231,0.289714774,0.195952464,0.018337799,7.41291351,11.88229933,19.29533856,0.525637513,0.504005038,5.588899729,2.740495486,1.58E-05,0.670983781,0.329014316,0.352237174,0.267789494,0.041133272,8.329411059,15.31648645,23.64614018,0.506475672,0.661159939,6.828375136,3.68448176,2.83E-05,0.649524372,0.350472939,0.52578443,0.484038351,0.131063638,10.51288516,25.15932079,35.67291707,0.499995967,1.140886419,5.889708175,2.969592946,1.89E-05,0.66480364,0.33519423,0.391171783,0.314432347,0.058363485,8.859319991,17.49020303,26.34985307,0.499996805,0.763967615,7.152033475,3.930978292,3.15E-05,0.645313143,0.354684016,0.57680626,0.550967502,0.162758311,11.08304326,28.11483735,39.19876598,0.499995738,1.290532073,6.842143873,3.690057423,2.83E-05,0.649638696,0.350358621,0.52790658,0.485504076,0.131003018,10.53222956,25.24820145,35.78114457,0.499995975,1.144413674 +UMLYSI0004,L,"1,3-diphenylbenzene",C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=CC=C3,aromatic,C18H14,92-06-8,7076,PubChem,,1286.6,0,3.4278,11.74981284,87.987,41.015102,18,18,32,18,14,0,18,0,0,0,0,0,0,0,0,0,2610.979074,3054.781652,4089.86561,4052.618833,3476.578413,3285.918068,2707.84552,2058.146508,1430.629544,8058.476654,10076.65066,14224.0647,15029.27818,13366.29431,12545.99844,10820.84709,8438.35978,6223.178218,229.787784,250.457168,395.347112,511.932292,488.488692,465.914576,429.034048,356.166192,284.096672,56.42478067,71.36762034,103.6906407,114.2562242,103.5452371,97.19138568,85.59117278,67.75430692,51.25530387,4871.145538,4679.60279,7584.084594,10531.44714,10209.18737,9839.738125,9147.643049,7721.730338,6232.227419,81.11111111,100.2222222,146.7777778,168.2222222,157.1111111,149,133.3333333,108.6666667,85.33333333,81.59309606,89.84651918,75.73825204,57.07913849,51.12615313,50.55258566,45.13075867,41.16293016,35.7657386,251.8273954,296.3720784,263.4086056,211.6799743,196.5631517,193.0153606,180.3474514,168.7671956,155.5794555,7.18086825,7.366387294,7.321242815,7.210313972,7.183657235,7.167916554,7.150567467,7.12332384,7.1024168,1.763274396,2.099047657,1.92019705,1.609242594,1.522724075,1.495252087,1.426519546,1.355086138,1.281382597,152.2232981,137.6353762,140.446011,148.3302414,150.1351084,151.3805865,152.4607175,154.4346068,155.8056855,2.534722222,2.947712418,2.718106996,2.369327074,2.310457516,2.292307692,2.222222222,2.173333333,2.133333333,0.101166936,-0.006790007,-0.033332049,-0.004820093,-0.009916473,0.004930338,-0.008374241,0.004395962,-0.006888629,953.3948209,46.34558157,-231.7279079,-110.1889848,-164.574106,8.03953966,-122.9576654,-36.88729962,-87.01619397,1772.878381,86.18158796,-430.9079398,-204.9011224,-306.0325776,14.9498673,-228.6450293,-68.59350878,-161.8103284,0.1867635,0.009078781,-0.045393906,-0.021585266,-0.032238937,0.001574891,-0.024086563,-0.007225969,-0.017045875,7.925591243,0.385271797,-1.926358983,-0.916003353,-1.368108012,0.066832863,-1.022149664,-0.306644899,-0.723367455,43.05193742,2.092802514,-10.46401257,-4.975744752,-7.431584436,0.363037171,-5.552333199,-1.66569996,-3.929343495,7.097222222,-0.596354167,-2.073784722,-0.115017361,-0.928819444,0.243489583,-0.626736111,0.243923611,-0.59375,0.003161467,-2.00E-04,-6.17E-04,-6.79E-05,-1.46E-04,7.59E-05,-1.40E-04,8.79E-05,-1.72E-04,29.79358815,1.36310534,-4.291257553,-1.551957532,-2.420207441,0.123685226,-2.049294423,-0.737745992,-2.175404849,55.4024494,2.534752587,-7.979776663,-2.885931301,-4.500479083,0.229997958,-3.810750488,-1.371870176,-4.04525821,0.005836359,2.67E-04,-8.41E-04,-3.04E-04,-4.74E-04,2.42E-05,-4.01E-04,-1.45E-04,-4.26E-04,0.247674726,0.011331523,-0.035673314,-0.012901456,-0.020119235,0.001028198,-0.017035828,-0.006132898,-0.018084186,1.345373044,0.061553015,-0.193778011,-0.070080912,-0.109288006,0.005585187,-0.092538887,-0.033313999,-0.098233587,0.221788194,-0.017539828,-0.038403421,-0.001619963,-0.013659109,0.003745994,-0.010445602,0.004878472,-0.01484375,-0.063168813,-0.19524487,-0.021473779,-0.046127475,0.023992457,-0.044147446,0.027809634,-0.054473365,0.045751634,-0.144032922,-0.05209032,-0.081232493,0.004151404,-0.068783069,-0.024761905,-0.073015873,0.045751634,-0.144032922,-0.05209032,-0.081232493,0.004151404,-0.068783069,-0.024761905,-0.073015873,0.045751634,-0.144032922,-0.05209032,-0.081232493,0.004151404,-0.068783069,-0.024761905,-0.073015873,0.045751634,-0.144032922,-0.05209032,-0.081232493,0.004151404,-0.068783069,-0.024761905,-0.073015873,0.045751634,-0.144032922,-0.05209032,-0.081232493,0.004151404,-0.068783069,-0.024761905,-0.073015873,-0.079083688,-0.173153584,-0.007304099,-0.061586278,0.016889959,-0.047097195,0.021996086,-0.066927593,0.942072144,1.037829307,0.897032572,0.96497829,0.946360916,1.029649028,0.998196862,1.14873163,0.810457516,1.020576132,0.997987928,1.042016807,0.968986569,1.04973545,1.023492063,1.082539683,0.810457516,1.020576132,0.997987928,1.042016807,0.968986569,1.04973545,1.023492063,1.082539683,0.810457516,1.020576132,0.997987928,1.042016807,0.968986569,1.04973545,1.023492063,1.082539683,0.810457516,1.020576132,0.997987928,1.042016807,0.968986569,1.04973545,1.023492063,1.082539683,0.810457516,1.020576132,0.997987928,1.042016807,0.968986569,1.04973545,1.023492063,1.082539683,0.95637159,1.015583098,0.902290455,1.0063313,0.95571278,1.027266797,0.999765166,1.140508806,105.6437716,52.82188582,80.2730667,105.6437716,5.869098424,52.82188582,-3.55E-14,7.22E-16,4.01E-17,-62.75699711,4000080.158,222226.6755,27.36328493,105.6437716,52.82188582,80.2730667,105.6437716,5.869098424,52.82188582,-3.55E-14,7.22E-16,4.01E-17,-62.75699711,4000080.158,222226.6755,27.36328493,105.6437716,52.82188582,80.2730667,105.6437716,5.869098424,52.82188582,-3.55E-14,7.22E-16,4.01E-17,-62.75699711,4000080.158,222226.6755,27.36328493,105.6437716,52.82188582,80.2730667,105.6437716,5.869098424,52.82188582,-3.55E-14,7.22E-16,4.01E-17,-62.75699711,4000080.158,222226.6755,27.36328493,105.6437716,52.82188582,80.2730667,105.6437716,5.869098424,52.82188582,-3.55E-14,7.22E-16,4.01E-17,-62.75699711,4000080.158,222226.6755,27.36328493,105.6437716,52.82188582,80.2730667,105.6437716,5.869098424,52.82188582,-3.55E-14,7.22E-16,4.01E-17,-62.75699711,4000080.158,222226.6755,27.36328493,120.9442433,60.07930068,92.81152366,120.8981528,6.716564042,60.07930068,-0.103703704,0.00244045,1.36E-04,-10.82803086,730.6774797,40.59319331,11.86914988,0,11.85,12.15023662,-0.207649691,0.092697151,6.686213867,10.18963266,20,34,25,16,2,9,0,0,0,18,15.304898,3.934692449,3.756414127,3.539823924,2.854941262,2.735454608,2.619181914,2.619181914,2.33108726,2.065064084,1.934480805,1.763054124,1.123125322,1.102375558,1.082250302,1.082250302,0.840073252,3.942446162,3.767083561,3.553342518,2.86861974,2.755592682,2.645815032,2.645815032,2.35783693,2.043332372,1.905193101,1.726828725,1.073747407,1.039811582,1.007167592,1.007167592,0.753675618,3.977912111,3.815881141,3.615030188,2.935245044,2.851978032,2.771820215,2.771820215,2.489938396,1.985311095,1.826044037,1.627835966,0.949959033,0.872792682,0.798620231,0.798620231,0.519062989,3.94822408,3.77503641,3.563413826,2.87902191,2.770840821,2.665925019,2.665925019,2.378323922,2.030071163,1.887212076,1.70447118,1.044294932,1.001415222,0.960278991,0.960278991,0.700042531,3.996180238,3.840952419,3.646587684,2.972055277,2.903682955,2.838078588,2.838078588,2.562479406,1.968686944,1.803197549,1.599025024,0.91728448,0.826320371,0.738564276,0.738564276,0.454256766,3.931004107,3.786539857,3.590534846,2.85692174,2.788136443,2.718005218,2.718005218,2.401084972,2.043545639,1.870268904,1.669527895,1.048575672,0.967263343,0.893921273,0.893921273,0.651649647,0,0,0,14,4,0,0,0,0,0,0,0,0.287457479,0.214076175,0,0,0,0.091927808,0.059852793,0.666666667,0,0.166666667,0,0.333333333,0,0.055555556,0,1.842365912,2.958191595,4.022411373,0.756908647,1.004451501,1.13119933,12.20889601,8.93265299,7.482945424,6.388321936,5.334246752,4.430130341,2.494315141,1.927607692,0.678272001,0.44663265,0.287805593,0.187891822,0.12405225,0.082039451,0.050904391,0.034421566,10.08290377,6.14273441,4.3128554,3.076815883,2.139526612,1.47913087,0.706781103,0.451709349,0.56016132,0.307136721,0.165879054,0.090494585,0.049756433,0.027391312,0.014424104,0.008066238,21.79279463,31.21485798,30.07843137,30.32,23.58988144,235.3674263,0.681024832,0.975464312,0.93995098,0.9475,0.737183795,7.355232073,5.0206,77.314,140.5339849,201.5881609,281.0679699,15.61488721,140.5339849,3.89E-16,2.16E-17,-63.87126768,4000081.176,222226.732,27.36328538,304,0,0,0,18,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,0,0,0,0,14,0,0,0,0,0,0,0,0,0,0,0,0,0,14,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,34.66666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.3,0,0,0,0,6.3,0,0,0,0,0,0,0,0,0,0,0,0,0,29.62549225,0,0,0,0,5.041174414,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.259519558,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,2.046177721,0,0,0,0,1.259519558,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.240740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,2.240740741,0,0,0,0,1.261067649,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,34.66666667,1.925925926,0.45,2.240740741,0.25,1.259519558,9.866257066,0.407147109,0.240740741,3.250984505,0.407147109,0.240740741,3.250984505,9,0.5,0,0,0.525,0.7,0.444,0.444,0.7,0.081,0.081,0,0,0.71429,0,0,0,0.22222,0,28,1.55556,10,0.55556,18,1,8,0.44444,0,0,9.04989,0.50277,25.55447,16.50459,0.91692,3.18687,0.17705,8.93263,5.74576,0.31921,-0.01863,-0.00103,0.23937,0.0133,0.5625,94,0,0,0,0,0,0,0,0.988699408,1.418564443,1.985492864,3.166530173,3.827819531,4,31.63838107,45.39406218,63.53577163,101.3289655,122.490225,128,0.197739882,0.283712889,0.397098573,0.633306035,0.765563906,0.8,4.011300592,3.581435557,3.014507136,1.833469827,1.172180469,1,0.18220626,0.261425586,0.365904163,0.583556151,0.705424395,0.737155333,6.128871424,11.28725184,18.09039289,26.03106421,28.59016602,28.76369381,57.73200726,60.13465772,53.68888088,37.63140652,31.98345859,31.375,13.005,6.437869822,3.321799308,0,18,0,3.44,1.932,0,0,0,0,23.56260327,19.42287231,0,2.941682753,0,0,0,0,0,0,0,0,0,0,0,0.003,0.301,0.304,1.461,2.4,9.672,26,34,43,54,49,56,56,56,52,464,3.401197382,3.979681654,4.582413199,5.166926538,5.746802053,5.858825613,6.359790108,6.710675351,7.058623793,7.338715523,8.542851801,11.05377829,0.5,3,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.1,2,0.1,1,5,10,1,2,1.555555556,0.625,0.284444444,0.5,0.200816327,0.006944444,0.032249937,0.0225,0,0.1,0.05982906,0.025,0.013544974,0.025,0.01255102,5.79E-04,0.004031242,0.005625,0,0.24616,71.17039049,106.7338955,142.340781,7.907821166,71.17039049,1.55E-15,8.64E-17,-61.37593783,4000077.265,222226.5147,27.36328362,0,226.3866776,5.169925001,4.532599493,5.361292166,6.204557763,7.05012252,7.901377354,8.752897525,9.607302768,10.46153068,11.31745788,109.1891381,3.713572067,0,4.976733742,0,6.463029457,0,8.03818918,0,9.655090294,9.880167747,230.1095504,7.190923452,37.38796599,2.077109222,0,0,0,621,25,5.754,92,1.245747014,2.224586422,3.04450202,3.9236228,4.669016926,5.677990013,6.678512828,7.504858613,8.338009362,9.31490909,119.8028184,175.3548865,177.5781036,215.2605067,262.052558,277.6380604,290.1423065,283.6780366,227.8004202,138.7800604,387.6084652,602.0234497,658.1775132,802.485814,972.4354403,1082.677689,1170.228882,1210.555909,1102.024597,885.448208,9.201859586,16.30871591,21.99444671,28.21392601,33.61617702,40.72407422,47.66931707,53.3974275,58.80147703,64.84599444,2.714736418,4.358717569,4.99178701,6.132923424,7.406806651,8.450472379,9.311893839,9.876829614,9.510829042,8.468900832,169.8896536,311.0659335,448.3558129,587.6942449,696.2626283,856.9526109,1024.505829,1162.520441,1328.856128,1546.203656,3.768404745,6.135245968,7.317408716,9.196305649,11.17831469,13.01095614,14.81704065,16.33510382,16.41897258,15.5057375,0.554526372,0.896090874,1.035935012,1.275127236,1.538878202,1.763607401,1.950780282,2.078272786,2.021537378,1.831791355,276.0610403,240.0496914,17.09430284,226.0529067,-196.5649713,-12.09097977,50.00813366,436.6146627,29.18528261,0.549797595,0.478078119,0.034044668,0.450202405,-0.391474829,-0.024080151,138.6140986,120.532298,8.583287871,113.5043172,-98.6980136,-6.071049576,0.072412331,0.070981983,0.08650309,1.241151927,502.113947,0,1,0,1589.392876,39.86719048,11.67016744,1727.983754,41.56902397,11.99996239,3068.873791,55.39741683,14.53203191,1.811915567,1.811915567,2615.821148,2164.198364,451.705146,1.208679015,5.790992579,4.791174915,6.111004469,5.952090948,11.55089245,0.940644481,5.0481458,4.674812616,7.004342128,15.86068224,0.141215467,14.76667217,19.86507623,10.43457595,7.460013994,4.852769219,17.05087089,3.40103051,13.11886761,2.888766159,11.11951049,4.95774461,2.116915161,5.203654936,0.894689188,3.948210329,0.007773319,1.790232976,1.75E-09,7.56E-40,6.34E-92,1.02E-165,3.20E-261,0,0,0,0.423950365,2.61588443,0.589298635,3.260965903,0.003545467,9.116102113,10.72231368,2.004993436,2.171341771,0.991503233,4.679318888,0.214993801,6.040055538,1.378935969,0.616196158,2.688798512,0.075696206,2.112439264,0.006334034,0.331345934,5.47E-05,0.012608757,1.24E-11,5.32E-42,4.46E-94,7.22E-168,2.25E-263,0,0,0,1.367847238,2.753466122,1.898744273,4.868750241,0.012960979,10.26950393,11.89639848,3.343563328,2.891743719,1.597999304,6.920454992,0.697678574,7.15717701,1.482715248,2.093177514,3.000632187,0.311513589,2.738865536,0.065749048,1.069625066,5.71E-04,0.131392972,1.29E-10,5.55E-41,4.65E-93,7.52E-167,2.35E-262,0,0,0,4.765055869,4.448760347,6.611617231,14.74827481,0.126176966,14.42074832,19.06050384,9.783353009,7.009197396,4.552116229,16.19296644,3.146673462,12.56953773,2.724022215,10.24055357,4.765314095,1.927978379,5.012800901,0.797174451,3.726788482,0.006925887,1.595065351,1.56E-09,6.74E-40,5.65E-92,9.13E-166,2.85E-261,0,0,0,2.01580285,2.931847989,2.797638099,6.25870099,0.024972654,11.06127811,12.90788394,4.375899316,3.492909847,2.068281616,8.543298074,1.078806257,8.021380934,1.614649808,3.305115821,3.25962229,0.527089649,3.170240527,0.142735336,1.576430545,0.00123924,0.285403092,2.80E-10,1.21E-40,1.01E-92,1.63E-166,5.10E-262,0,0,0,6.096300395,5.625331909,8.458426259,20.36667634,0.204401926,16.04747249,23.12206467,12.9992367,9.273438263,6.038924597,20.34144563,4.410142409,15.28446424,3.580845064,14.64179762,5.731004381,2.889101628,5.91213186,1.304713551,4.768035764,0.011336655,2.610886547,2.56E-09,1.10E-39,9.24E-92,1.49E-165,4.66E-261,0,0,0,2.722114046,3.129180854,3.608558521,7.439601955,0.040375064,11.26763529,14.01638525,5.249100566,4.15199896,2.561733282,10.16496519,1.476984276,9.051509781,1.889724095,4.557689895,3.761944732,0.783839364,3.784651378,0.241323284,2.128879682,0.002095691,0.48264787,4.73E-10,2.04E-40,1.71E-92,2.76E-166,8.62E-262,0,0,0,11.0531926,3.146805486,3.64E-04,0.778373993,0.221600368,0.533507658,0.472593901,0.354255106,14.20036216,34.78741701,49.00044262,0.667560989,1.360356666,9.404713892,1.9638254,1.82E-04,0.827244625,0.172739333,0.386241375,0.184049549,0.083506908,11.36872167,18.4712894,29.84337947,0.740866937,0.653797832,9.898802626,2.318398542,2.39E-04,0.810219056,0.189761403,0.427889653,0.256514557,0.148012452,12.2174399,22.95228627,35.17520502,0.715328584,0.832416662,10.99119873,3.102318397,3.58E-04,0.779856426,0.220118205,0.527539921,0.459325432,0.341555534,14.09387466,34.103237,48.20930307,0.669784639,1.328420887,10.17450227,2.516246863,2.69E-04,0.80170888,0.198269891,0.452056097,0.302166086,0.190823299,12.69101855,25.60497849,38.30289445,0.702563321,0.945045482,11.25845003,3.294098711,3.86E-04,0.773620616,0.226352888,0.553506003,0.517873043,0.397392864,14.55293434,37.09205712,51.65929179,0.660430924,1.46877191,11.00256657,3.103324072,3.57E-04,0.779978273,0.219996428,0.528631719,0.459623292,0.34034271,14.10624751,34.14956364,48.26799623,0.669967409,1.328597721 +UMLYSI0005,L,pyrene,C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2,aromatic,C16H10,129-00-0,31423,PubChem,,1250.1,0,2.5688,6.59873344,75.2282,34.82793,16,19,26,16,10,0,16,0,0,0,0,0,0,0,0,0,2318.386576,2862.089179,4281.537148,4673.018478,3880.07628,2439.467198,877.787236,251.281465,28.278432,7087.107872,9194.187297,14153.20558,16104.63478,14251.95307,10078.95154,4758.583844,1652.247277,353.8082105,187.832896,214.446124,353.487088,465.81996,463.282656,401.314424,268.169872,131.666212,41.10912,49.06852905,64.1245431,100.3600862,117.5139181,107.461784,80.46200978,42.32679249,16.14338353,4.005540239,3877.886218,3940.318243,6612.692925,9200.767931,9358.737081,8460.628824,6031.29509,3200.951258,1045.915704,66.66666667,84.55555556,131.3333333,159.7777778,154.6666667,124.6666667,72.66666667,30,8,89.16871446,98.69273031,89.19869058,73.01591372,60.62619188,43.56191425,23.09966411,13.22534026,4.713072,272.581072,317.0409413,294.8584495,251.6349184,222.6867666,179.9812774,125.2258906,86.960383,58.96803508,7.224342154,7.394693931,7.364314333,7.278436875,7.2387915,7.166329,7.057101895,6.929800632,6.85152,1.887251117,2.211191141,2.090835129,1.83615497,1.679090375,1.436821603,1.11386296,0.849651765,0.66759004,149.1494699,135.8730429,137.7644359,143.7619989,146.2302669,151.0826576,158.7182918,168.4711188,174.3192839,2.564102564,2.915708812,2.736111111,2.496527778,2.416666667,2.226190476,1.912280702,1.578947368,1.333333333,0.070301654,-0.00814422,-0.023360133,0.007546784,-3.83E-04,-0.01733359,-0.019331872,0.014112527,0.007923861,745.0215938,53.72751879,-71.63669172,10.02913684,-269.3539609,-356.7507247,-157.6007218,247.1465864,126.0805774,1385.399467,99.90861543,-133.2114872,18.64960821,-500.875192,-663.3932065,-293.0652719,459.579631,234.4522175,0.145944615,0.010524852,-0.014033136,0.001964639,-0.052764592,-0.069885018,-0.030872899,0.04841432,0.02469832,6.193380214,0.446637996,-0.595517328,0.083372426,-2.239145154,-2.965676295,-1.310138122,2.054534783,1.048110498,33.64253962,2.426144684,-3.234859579,0.452880341,-12.16307202,-16.1096007,-7.116691074,11.16026555,5.693352859,5.128205128,-0.651545036,-1.211045365,0.487836949,-0.520710059,-1.250493097,-1.495069034,1.124260355,0.662721893,0.00270391,-2.81E-04,-4.87E-04,1.18E-04,-5.98E-06,-3.10E-04,-5.09E-04,7.43E-04,0.001320644,28.65467669,1.852673062,-1.492431077,0.156705263,-4.208655638,-6.370548656,-4.147387415,13.00771507,21.01342957,53.2845949,3.44512467,-2.775239318,0.291400128,-7.826174875,-11.84630726,-7.712243998,24.18840163,39.07536959,0.005613254,3.63E-04,-2.92E-04,3.07E-05,-8.24E-04,-0.001247947,-8.12E-04,0.002548122,0.004116387,0.238206931,0.01540131,-0.012406611,0.001302694,-0.034986643,-0.052958505,-0.034477319,0.10813341,0.174685083,1.293943832,0.083660162,-0.067392908,0.007076255,-0.190048,-0.287671441,-0.187281344,0.587382397,0.948892143,0.197238659,-0.02246707,-0.025230112,0.007622452,-0.008136095,-0.022330234,-0.039343922,0.059171598,0.110453649,-0.103862627,-0.179987306,0.043610369,-0.002211403,-0.114474381,-0.188147352,0.274700201,0.488419975,0.064655172,-0.052083333,0.00546875,-0.146875,-0.222321429,-0.144736842,0.453947368,0.733333333,0.064655172,-0.052083333,0.00546875,-0.146875,-0.222321429,-0.144736842,0.453947368,0.733333333,0.064655172,-0.052083333,0.00546875,-0.146875,-0.222321429,-0.144736842,0.453947368,0.733333333,0.064655172,-0.052083333,0.00546875,-0.146875,-0.222321429,-0.144736842,0.453947368,0.733333333,0.064655172,-0.052083333,0.00546875,-0.146875,-0.222321429,-0.144736842,0.453947368,0.733333333,-0.113908046,-0.127916667,0.038645833,-0.04125,-0.113214286,-0.199473684,0.3,0.56,0.917699569,0.935946737,0.789363867,0.935624706,1.162143946,1.378062123,1.067756003,0.888035796,0.700431034,0.846354167,0.888671875,1.079101563,1.233258929,1.282894737,0.855263158,0.677083333,0.700431034,0.846354167,0.888671875,1.079101562,1.233258929,1.282894737,0.855263158,0.677083333,0.700431034,0.846354167,0.888671875,1.079101563,1.233258929,1.282894737,0.855263158,0.677083333,0.700431034,0.846354167,0.888671875,1.079101563,1.233258929,1.282894737,0.855263158,0.677083333,0.700431034,0.846354167,0.888671875,1.079101563,1.233258929,1.282894737,0.855263158,0.677083333,0.915229885,0.880208333,0.804036458,0.973307292,1.160714286,1.396929825,1.026315789,0.8125,61.47599781,30.73799891,42.78998047,61.47599781,3.842249863,30.73799891,3.55E-15,5.27E-16,3.30E-17,-56.28584952,113.8395024,7.1149689,7.575663332,61.47599781,30.73799891,42.78998047,61.47599781,3.842249863,30.73799891,3.55E-15,5.27E-16,3.30E-17,-56.28584952,113.8395024,7.1149689,7.575663332,61.47599781,30.73799891,42.78998047,61.47599781,3.842249863,30.73799891,3.55E-15,5.27E-16,3.30E-17,-56.28584952,113.8395024,7.1149689,7.575663332,61.47599781,30.73799891,42.78998047,61.47599781,3.842249863,30.73799891,3.55E-15,5.27E-16,3.30E-17,-56.28584952,113.8395024,7.1149689,7.575663332,61.47599781,30.73799891,42.78998047,61.47599781,3.842249863,30.73799891,3.55E-15,5.27E-16,3.30E-17,-56.28584952,113.8395024,7.1149689,7.575663332,61.47599781,30.73799891,42.78998047,61.47599781,3.842249863,30.73799891,3.55E-15,5.27E-16,3.30E-17,-56.28584952,113.8395024,7.1149689,7.575663332,70.24808278,33.94327302,48.57925499,70.20120778,4.387575487,33.94327302,-0.125,0.020545256,0.001284078,-6.216200361,119.2243503,7.451521894,7.649611224,0,11.85,12.15020408,-0.203419386,0.096820426,7.486835938,10.95532742,19,29,21,10,0,8,0,0,0,19,10.93207,4.185036688,3.621415508,3.409075685,2.959364571,2.71260701,2.48143225,2.316618398,2.010192556,2.25741991,1.79135574,1.614219704,1.301699992,1.011362417,0.81392882,0.702192512,0.698651276,4.18928674,3.631090778,3.42070019,2.978830981,2.726551352,2.499160187,2.334813826,2.049116895,2.245135568,1.762224066,1.579071483,1.244567808,0.953853479,0.756357034,0.628688097,0.591065984,4.208767413,3.676187058,3.475060313,3.070574289,2.797119531,2.585104499,2.42665942,2.238683099,2.212845885,1.68575282,1.486617695,1.090119031,0.813230275,0.603877251,0.447553425,0.279472784,4.192454998,3.63834575,3.429427221,2.993496406,2.737286998,2.512638683,2.348814965,2.07886995,2.237697019,1.744554008,1.557719751,1.209356461,0.919790221,0.721094051,0.58500104,0.522468474,4.218850029,3.699892091,3.503710301,3.118978971,2.837725298,2.631854796,2.479262163,2.339434255,2.203690731,1.664332299,1.460747477,1.046361936,0.7776938,0.562060718,0.401426344,0.188137401,4.157517022,3.655464794,3.453287447,3.054786185,2.736730503,2.511433986,2.342076197,2.149470515,2.272378386,1.721579605,1.525223431,1.13683102,0.89805604,0.706273176,0.565186117,0.429718066,0,0,0,10,6,0,0,0,0,0,0,0,0.247193875,0.55645241,0,0,0,0.089779189,0.169391006,0.888888889,0,0.259259259,0,0.458333333,0,0.098958333,0,2.597748881,4.993820797,8.110489295,1.131908647,1.828810238,2.487458151,10.53516943,7.93265299,7.211527018,6.73792507,6.284591819,5.752239173,4.147471199,3.244198765,0.658448089,0.417508052,0.257554536,0.160426787,0.101364384,0.065366354,0.043202825,0.028457884,8.773502692,5.559401077,4.289600718,3.39273441,2.669586605,2.050878197,1.231433752,0.802480925,0.548343918,0.292600057,0.153200026,0.080779391,0.043057848,0.023305434,0.012827435,0.007039306,18.70913902,25.43918427,24.62745098,24.8,19.99277246,189.3109162,0.71958227,0.978430164,0.947209653,0.953846154,0.768952787,7.281189083,4.584,70.146,196.0476154,214.3353442,392.0952307,24.50595192,196.0476154,3.33E-16,2.08E-17,-57.02110125,82.31019889,5.144387431,7.056792037,200,0,0,0,16,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,30,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.5,0,0,0,0,4.5,0,0,0,0,0,0,0,0,0,0,0,0,0,21.85796296,0,0,0,0,0,8.142037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.335,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,2.126759259,0,0,0,0,0,1.335,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.212407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,2.212407407,0,0,0,0,0,1.401018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,30,1.875,0.45,2.212407407,0.25,1.335,9.254971296,0.331666667,0.212407407,3.715925926,0.331666667,0.212407407,3.715925926,8,0.5,0,0,0.54615,0.7,0.45238,0.45238,0.7,0.09377,0.09377,0,0,0.71429,0,0,0,0.375,0,25.5,1.59375,9.5,0.59375,16,1,6.5,0.40625,0,0,8.22104,0.51382,22.33605,14.11501,0.88219,2.94877,0.1843,7.93262,4.98385,0.31149,-0.01862,-0.00116,0.32538,0.02034,0.615384615,121,0,0,0,0,0,0,0,0.961236605,1.548580607,2.038159682,2.931208949,3.546593564,3.700439718,24.99215172,40.26309577,52.99215172,76.21143267,92.21143267,96.21143267,0.204499294,0.329454413,0.433610429,0.623603136,0.754523784,0.787253946,3.739203113,3.151859112,2.662280036,1.769230769,1.153846154,1,0.182509125,0.2940276,0.386983537,0.556545994,0.673388514,0.702599145,5.706823504,12.75495153,18.62990043,26.2943532,28.60565706,28.76070706,46.68179113,54.68850828,47.21858975,35.22059358,30.69602838,30.17281616,9.972299169,3.75,1.444444444,0,16,0,3.22,1.5846,0,0,0,0,14.16403174,23.31640249,0,8.480997324,0,0,0,0,0,0,0,0,0,0,0,0.003,0.295,0.292,1.503,2.728,9.284,28,42,62,88,96,114,132,156,132,885,3.384390263,4.158883083,4.961094849,5.752175735,6.506157682,6.998052917,7.574967474,8.126818338,8.699208712,8.93758437,9.964847749,24.0278381,0.428571429,4,0,0,0,4,0,0,0,0,0,0,0,10,0,0,0,0,0,0,5,0,2,3,14,0,0,4,0,0,0,5,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,7,0.75,2,1.777777778,1.125,1.075555556,0.111111111,0.078367347,0,0,0,0,0.105263158,0.063492063,0.0375,0.044814815,0.007936508,0.019591837,0,0,0,0,0.278598381,46.10699836,64.18497071,92.21399672,5.763374795,46.10699836,5.27E-16,3.30E-17,-56.28584952,113.8395024,7.1149689,7.575663332,0,171.1747083,5,4.553876892,5.459585514,6.381816017,7.304515946,8.232971791,9.159783648,10.08926148,11.01730039,11.94680309,109.1459148,3.663561646,0,5.017279837,0,6.616065185,0,8.331104548,0,10.10638758,10.29549586,202.0782503,7.772240397,34.43616484,2.152260302,0,0,0,362,30,4.814,94,1.30068629,2.327681173,3.222116462,4.254346724,5.329971284,6.359443988,7.287523235,8.151883726,9.118025253,0,137.4682632,216.8120195,245.0130125,271.1375202,231.7214051,146.7226882,93.68206677,37.92514406,9.264497211,0,433.6325952,707.7990116,837.6240983,984.5614543,962.7478894,794.4163445,626.7680125,476.9650374,283.4223667,0,9.647295683,17.17116944,23.50868956,30.8783129,38.22340078,44.86901128,50.48832941,55.8349695,61.25912441,0,2.991426541,4.983247375,6.076957235,7.368611353,7.693836031,7.067251574,6.151669154,5.412245177,4.053991694,0,174.9153148,318.8416767,459.1993017,616.2519799,803.0355665,1010.181651,1228.609897,1422.450348,1686.083821,0,3.883765285,6.47113565,8.224520148,10.55117432,11.93680919,12.14562083,11.45635782,10.82452319,9.118025253,0,0.609197245,1.018954675,1.250381029,1.524982668,1.61169989,1.508502235,1.337095492,1.202508084,0.933685786,0,242.3470388,150.8750798,15.08164684,195.2332283,-121.5440017,-9.206785442,47.11381053,272.4190815,24.28843229,0.553834478,0.344794067,0.034466012,0.446165522,-0.2777639,-0.021040221,106.046282,66.01995771,6.599431053,85.43020816,-53.18525672,-4.028707633,0.100199695,0.097355773,2.170073418,1.206312861,437.580267,0,1,0,1398.015346,37.39004341,11.18160071,1497.00883,38.69119835,11.4395284,2739.548599,52.34069735,13.99242549,1.290955702,1.098383998,1392.590253,882.9672269,509.6252035,1.577170942,2.732577281,1.732581554,5.158577001,5.210582308,9.118025253,0.749905234,3.606045903,10.47730346,4.548443928,24.87055415,0.947754194,13.70881239,11.72783683,7.219544885,14.168805,3.713549096,11.84506125,2.967761207,6.198606677,2.423469107,4.296768303,0.052039261,0.248330182,4.61E-07,1.65E-34,1.14E-83,1.51E-154,3.89E-247,0,0,0,0,0,0,0,0,0.303049163,10.47730234,0.381719882,17.47264369,0.944103062,3.013859275,2.795186125,0.901485083,9.786846968,0.862625478,1.63358599,1.41065775,0.902619751,0.195533006,0.179156151,3.67E-04,0.00174901,3.24E-09,1.16E-36,8.01E-86,1.07E-156,2.74E-249,0,0,0,0,0,0,0,0,0.977261215,10.47730257,1.232236926,18.02470971,0.944848333,5.196927214,4.618513658,2.156784911,10.51735685,1.444559701,3.448004209,1.616924555,1.836356668,0.63637826,0.697895094,0.003819387,0.01822603,3.38E-08,1.21E-35,8.35E-85,1.11E-155,2.85E-248,0,0,0,0,0,0,0,0,3.403838809,10.47730339,4.293360009,24.07874886,0.947530674,13.05407503,11.18098037,6.82060559,13.84254771,3.539017571,11.12441859,2.832966252,5.822284919,2.282150605,3.930865314,0.046366045,0.221257721,4.10E-07,1.47E-34,1.01E-83,1.35E-154,3.47E-247,0,0,0,0,0,0,0,0,1.440086653,10.47730273,1.816090262,18.68813731,0.94535994,6.695534917,5.870175871,3.028708375,11.06750652,1.844039321,4.773702617,1.791648051,2.521070324,0.943139032,1.149528385,0.00829622,0.039589373,7.34E-08,2.63E-35,1.81E-84,2.41E-155,6.20E-248,0,0,0,0,0,0,0,0,4.354727756,10.47730371,5.492904932,28.18706017,0.948581792,16.13301016,13.75260694,8.710435441,15.44264007,4.359760803,14.62171368,3.511661698,7.651118344,2.952300846,5.780782938,0.075894372,0.362166232,6.72E-07,2.40E-34,1.66E-83,2.21E-154,5.67E-247,0,0,0,0,0,0,0,0,2.051622821,9.88266216,2.408292056,18.99143325,0.891700924,7.893715021,6.887041084,3.960062536,11.99888902,2.306558903,6.36617849,2.21597187,3.508078623,1.34963356,1.773076118,0.014802279,0.070636141,1.31E-07,4.69E-35,3.24E-84,4.31E-155,1.11E-247,0,0,0,0,0,0,0,0,6.118500156,3.945812249,1.30E-05,0.607939418,0.392059286,0.501639553,0.499731736,0.260373127,10.06432545,24.14258418,34.20722462,0.499998055,1.261744416,4.369244784,2.521825389,5.52E-06,0.63404394,0.365955259,0.255810708,0.204124304,0.045655045,6.89107569,11.01851044,17.90964692,0.499998799,0.505590057,4.865444946,2.925767447,7.67E-06,0.624477926,0.37552109,0.317211411,0.27475449,0.088990982,7.791220058,14.23522016,22.02654934,0.499998524,0.680956882,6.047613318,3.888108098,1.27E-05,0.60867302,0.391325697,0.490083233,0.485222449,0.248347901,9.93573416,23.51390093,33.44993475,0.499998076,1.223653583,5.152344395,3.159320462,8.90E-06,0.61989252,0.380106409,0.355723528,0.320370526,0.12046082,8.311673759,16.27798107,24.58979974,0.499998393,0.796554875,6.356309176,4.139395615,1.41E-05,0.605609703,0.394388957,0.541392137,0.549968101,0.302731557,10.49571885,26.31142594,36.80751483,0.49999799,1.394091795,6.058669754,3.892195863,1.27E-05,0.608857785,0.391140935,0.491876842,0.486243285,0.248041718,9.950878354,23.58165609,33.53283479,0.49999808,1.226161844 +UMLYSI0006,L,4-benzyl-biphenyl,C1=CC=C(C=C1)CC2=CC=C(C=C2)C3=CC=CC=C3,aromatic,C19H16,613-42-3,69174,UML,,1192.6,0,3.884,15.085456,92.588,44.108688,18,18,35,19,16,0,19,0,0,0,0,0,0,0,0,0,2757.275323,3223.259949,4283.574147,4149.475537,3412.069268,3170.948443,2577.720615,1915.914515,1660.654474,8544.161044,10729.6408,15137.61182,15947.17111,13848.78332,12507.37349,10574.23429,8077.010367,6558.696429,250.765228,272.232948,438.07662,568.873348,570.683216,506.201644,442.048092,362.062604,277.026472,60.10290648,76.38360896,111.3783308,123.1645787,110.5498933,98.85263883,84.8050429,65.85463273,52.15460813,5367.775198,5112.642241,8508.286793,11756.42752,12295.55186,10943.77712,9543.806544,7964.771286,6090.038696,85.36111111,105.4444444,155.7777778,180.1111111,169.6111111,154.4444444,132.4444444,101,78.33333333,78.77929494,87.11513376,71.39290245,52.5250068,42.65086585,44.66124568,41.57613895,37.56695127,42.58088395,244.118887,289.9902919,252.2935303,201.8629254,173.1097915,176.16019,170.5521659,158.3727523,168.1717033,7.1647208,7.357647243,7.301277,7.200928456,7.1335402,7.12960062,7.129807935,7.099266745,7.103242872,1.717225899,2.064421864,1.856305514,1.5590453,1.381873666,1.392290688,1.367823273,1.291267308,1.337297644,153.3650057,138.17952,141.8047799,148.8155383,153.6943983,154.137706,153.9323636,156.171986,156.1548384,2.438888889,2.84984985,2.596296296,2.279887482,2.120138889,2.175273865,2.136200717,1.980392157,2.008547009,0.108545257,-0.001301382,-0.03910812,-0.019864686,0.001442239,0.009384077,-0.023888918,-0.001470862,0.025127206,1051.544764,50.60065029,-242.626165,-332.6597439,-113.6538044,101.3989594,-112.4678516,-3.360199433,170.3818772,1955.392391,94.09406994,-451.1737143,-618.5949989,-211.3441024,188.5556948,-209.1387726,-6.248434332,316.8323761,0.2059904,0.00991232,-0.0475288,-0.06516576,-0.022264,0.01986336,-0.02203168,-6.58E-04,0.03337664,8.741513788,0.420644273,-2.016956424,-2.765407464,-0.944806471,0.842931687,-0.934947621,-0.027933409,1.416388136,47.48404164,2.284946364,-10.95613931,-15.02173723,-5.132203748,4.578818301,-5.078650318,-0.15173472,7.693842837,7.607936508,-0.159342404,-2.070748299,-2.103151927,0.05170068,1.159614512,-1.584852608,-0.827913832,1.765442177,0.003101293,-3.52E-05,-6.52E-04,-2.51E-04,1.80E-05,1.32E-04,-3.85E-04,-2.88E-05,6.44E-04,30.04413611,1.367585143,-4.043769416,-4.210882834,-1.420672555,1.428154357,-1.813997607,-0.065886263,4.368766081,55.86835403,2.543082971,-7.519561905,-7.830316442,-2.64180128,2.655714012,-3.37320601,-0.12251832,8.12390708,0.00588544,2.68E-04,-7.92E-04,-8.25E-04,-2.78E-04,2.80E-04,-3.55E-04,-1.29E-05,8.56E-04,0.249757537,0.011368764,-0.03361594,-0.035005158,-0.011810081,0.011872277,-0.0150798,-5.48E-04,0.036317645,1.356686904,0.061755307,-0.182602322,-0.190148573,-0.064152547,0.064490399,-0.081913715,-0.002975191,0.197278021,0.217369615,-0.004306551,-0.034512472,-0.026622176,6.46E-04,0.016332599,-0.025562139,-0.016233605,0.045267748,-0.011341233,-0.210171045,-0.081079638,0.005813054,0.042617739,-0.124240152,-0.009299488,0.20774797,0.045519203,-0.134594298,-0.140156562,-0.047286184,0.047535211,-0.060377759,-0.002192982,0.145411606,0.045519203,-0.134594298,-0.140156562,-0.047286184,0.047535211,-0.060377759,-0.002192982,0.145411606,0.045519203,-0.134594298,-0.140156562,-0.047286184,0.047535211,-0.060377759,-0.002192982,0.145411606,0.045519203,-0.134594298,-0.140156562,-0.047286184,0.047535211,-0.060377759,-0.002192982,0.145411606,0.045519203,-0.134594298,-0.140156562,-0.047286184,0.047535211,-0.060377759,-0.002192982,0.145411606,-0.019812113,-0.158773211,-0.122474231,0.002973086,0.075137451,-0.117597572,-0.074682032,0.208252419,0.911434558,1.08191223,0.982108165,0.91504663,0.944235396,1.151478093,0.993327467,0.702842265,0.846372688,1.043859649,1.090106596,1.027549342,0.937268347,1.041755093,0.997807018,0.853154521,0.846372688,1.043859649,1.090106596,1.027549342,0.937268347,1.041755093,0.997807018,0.853154521,0.846372688,1.043859649,1.090106596,1.027549342,0.937268347,1.041755093,0.997807018,0.853154521,0.846372688,1.043859649,1.090106596,1.027549342,0.937268347,1.041755093,0.997807018,0.853154521,0.846372688,1.043859649,1.090106596,1.027549342,0.937268347,1.041755093,0.997807018,0.853154521,0.932722833,1.03035677,1.030828186,0.95742489,0.935416379,1.123261073,1.032060644,0.711414081,133.0219426,66.51097128,105.0886566,133.0219426,7.001154871,66.51097128,5.68E-14,0.081829229,0.004306802,-4.755929479,208.2859371,10.96241774,10.14393248,133.0219426,66.51097128,105.0886566,133.0219426,7.001154871,66.51097128,5.68E-14,0.081829229,0.004306802,-4.755929479,208.2859371,10.96241774,10.14393248,133.0219426,66.51097128,105.0886566,133.0219426,7.001154871,66.51097128,5.68E-14,0.081829229,0.004306802,-4.755929479,208.2859371,10.96241774,10.14393248,133.0219426,66.51097128,105.0886566,133.0219426,7.001154871,66.51097128,5.68E-14,0.081829229,0.004306802,-4.755929479,208.2859371,10.96241774,10.14393248,133.0219426,66.51097128,105.0886566,133.0219426,7.001154871,66.51097128,5.68E-14,0.081829229,0.004306802,-4.755929479,208.2859371,10.96241774,10.14393248,133.0219426,66.51097128,105.0886566,133.0219426,7.001154871,66.51097128,5.68E-14,0.081829229,0.004306802,-4.755929479,208.2859371,10.96241774,10.14393248,155.1728023,77.23948002,124.0307008,155.0790196,8.162053662,77.23948002,-0.161988304,0.137504228,0.007237065,-3.769791163,211.0534741,11.10807759,10.16901191,0,11.85,12.15025325,-0.207649803,0.092713012,6.610117323,9.754031995,21,37,28,19,3,9,0,0,0,18,17.491312,3.909707733,3.774838487,3.601034535,2.995584284,2.657137872,2.619181914,2.619181914,2.619181914,2.057043979,1.957932455,1.809800014,1.336411237,1.082250302,1.082250302,1.082250302,1.01173007,3.918514174,3.786038246,3.613609963,3.013563162,2.675922674,2.645815032,2.645815032,2.645815032,2.032624328,1.928323397,1.775716837,1.276608232,1.007167592,1.007167592,1.007167592,0.949345154,3.958744417,3.836859855,3.671074977,3.10087284,2.771820215,2.771820215,2.771820215,2.766860649,1.967124122,1.847364694,1.683024782,1.120001761,0.798620231,0.798620231,0.798620231,0.78673132,3.925074375,3.794365447,3.622982174,3.027235866,2.690194433,2.665925019,2.665925019,2.665925019,2.017690516,1.9100568,1.754728048,1.240170063,0.960278991,0.960278991,0.960278991,0.911453977,3.979424062,3.862727378,3.700538248,3.148563099,2.838078588,2.838078588,2.838078588,2.816378531,1.948289444,1.82371188,1.656150546,1.077425851,0.742482328,0.738564276,0.738564276,0.738564276,3.916627494,3.809173567,3.651404585,2.983500743,2.729188891,2.729188891,2.729188891,2.690237682,2.027774285,1.89433079,1.718570853,1.261243734,0.89123351,0.883735816,0.883735816,0.883735816,0,0,0,14,4,0,1,0,0,0,0,0,0.287457479,0.238132436,0,0,0,0.091927808,0.072248712,0.741581624,0,0.083333333,0,0.402368927,0,0.027777778,0,1.755861571,2.710997721,3.474423663,0.774916837,0.989898716,1.057693214,12.91600279,9.415816238,7.918633799,6.599319657,5.395156547,4.442616167,2.481517868,1.856760185,0.679789621,0.448372202,0.293282733,0.194097637,0.128456108,0.085434926,0.053946041,0.035706927,10.79001055,6.599841191,4.725324084,3.312131127,2.277213788,1.578349032,0.779893382,0.489235789,0.567895292,0.314278152,0.175012003,0.097415621,0.054219376,0.030352866,0.016954204,0.009408381,23.33462243,34.10269483,32.80392157,33.08,25.38843593,258.3956814,0.666703498,0.974362709,0.937254902,0.945142857,0.725383884,7.382733755,4.7568,80.105,148.883838,210.2197114,297.7676761,15.67198295,148.883838,0.012545291,6.60E-04,-8.318978826,257.5191433,13.55363912,10.54707871,383,0,0,0,18,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,0,0,0,0,14,0,0,0,0,0,0,0,0,0,0,1,0,0,14,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,35.17072452,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.095285888,0,0,0,0,6.095285888,0,0,0,0,0,0,0,0,0,0,0.995942145,0,0,29.91422913,0,0,0,0,5.256495391,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.272001029,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,0,0,0,0.422222222,0,0,0,0,0,0,0,0,0,0,0.995942145,0,0,2.048881173,0,0,0,0,1.272001029,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.217592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.44691358,0,0,0,0,0.44691358,0,0,0,0,0,0,0,0,0,0,0.995942145,0,0,2.217592593,0,0,0,0,1.356445473,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,36.16666667,1.903508772,0.546658557,2.217592593,0.1875,0.995942145,10.4756977,0.504057855,0.217592593,3.82845826,0.504057855,0.217592593,3.82845826,9.5,0.5,0,0,0.51714,0.7,0.4434,0.4434,0.7,0.07375,0.07375,0,0,0.71429,0,0,0,0.21053,0,28.5,1.5,10.5,0.55263,18,0.94737,7.5,0.39474,0,0,10.33351,0.54387,27.03248,16.69897,0.87889,3.57854,0.18834,9.41579,5.83725,0.30722,-0.00179,-9.00E-05,0.25621,0.01348,0.542857143,99,0,0,0,0,0,0,0.052631579,0.994693795,1.911970508,2.534633191,3.886146588,4.729283017,4.843568731,34.81428284,66.91896778,88.71216168,136.0151306,165.5249056,169.5249056,0.193924529,0.3727559,0.494149608,0.757639338,0.922016391,0.944297422,4.134589222,3.217312509,2.594649826,1.243136429,0.4,0.285714286,0.180081948,0.346148106,0.458876575,0.70355807,0.856201678,0.876892261,6.261684854,14.53759719,22.00954939,31.383293,33.48927556,34.23257985,62.80321351,58.83382175,47.28548264,28.02128492,22.98557843,21.73386522,13.95918367,7.135802469,3.98615917,0,12,0,3.55,2.0729,0,0,0,0,25.20845403,18.79680079,0,2.00414513,0,0,0,0,0,0,0,0,0,0,0,0.003,0.263,0.268,1.421,2.16,9.931,27,34,42,52,46,52,56,56,56,461,3.433987204,3.998200702,4.551241844,5.100628333,5.65664719,5.674182005,6.112713791,6.506157682,6.828323062,7.143111452,8.35270173,9.198752711,0.5,3,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.142857143,3,0.142857143,1,6,12,1,2.5,1.333333333,0.625,0.444444444,0.263888889,0.238367347,0.157986111,0.069790879,0.00875,0.016324865,0.119047619,0.049382716,0.025,0.022222222,0.013888889,0.015891156,0.014362374,0.006979088,8.75E-04,0.002040608,0.272745228,86.95142444,135.7474409,173.9028489,9.152781519,86.95142444,0.041020579,0.002158978,-6.06799469,511.0302877,26.89633093,11.84921483,0,243.6826622,5.247927513,4.574710979,5.38907173,6.22059017,7.048386409,7.885705391,8.718500048,9.558388209,10.39375326,11.23515412,111.0242603,3.761200116,0,5.017279837,0,6.484635236,0,8.034955025,0,9.622648679,9.855032332,244.1252005,6.975005729,39.3816683,2.072719384,0,0,0,798,25,5.854,96,1.251986492,2.231235052,3.065714565,3.911245361,4.692666299,5.420066317,6.360406924,7.266542852,8.115251575,8.616040739,117.6099724,167.47736,165.6997224,177.1260516,223.4267298,242.6240311,252.1794193,322.1556925,427.8512012,390.7542983,383.0243528,582.4436174,634.356092,703.3058827,860.878731,974.487829,1044.930173,1259.122684,1609.83548,1573.434715,9.239011372,16.31955731,22.11981468,27.94753111,33.51289702,38.7604993,45.23868724,51.70295064,58.24048808,61.71079363,2.692927983,4.249233013,4.880769244,5.555164383,6.726161967,7.721610127,8.441969836,9.946101532,12.37888712,12.45328781,171.2969644,314.5655845,452.9463744,597.9830155,719.6021606,825.9044775,987.255093,1128.412144,1223.787702,1305.490413,3.659335751,5.890726202,7.090924217,8.436363927,10.40159443,11.92017471,12.83146265,14.83363899,18.97141008,20.15524504,0.550488348,0.874918431,1.015429508,1.16221485,1.404890404,1.616064405,1.773772525,2.082323611,2.57704174,2.60527535,302.961451,284.9469556,17.68163342,208.5045592,-196.1065976,-11.52980095,94.45689187,481.0535531,29.21143437,0.592339364,0.557118068,0.034570496,0.407660636,-0.383420586,-0.022542653,154.9544846,145.7406825,9.0435545,106.642995,-100.301859,-5.897101288,0.066313206,0.065644798,0.755496726,0.887709362,511.4660102,0,1,0,1630.462719,40.37898858,11.76983273,1788.427668,42.28980572,12.13827931,3177.511846,56.36942297,14.7015252,2.536204614,2.536204614,3371.950914,2984.093956,391.5526026,1.129974781,8.611744352,7.62118279,6.376184872,7.176308331,13.07342484,0.821747929,5.606326061,5.054721994,7.732114569,17.19754633,1.899020148,16.14733444,18.5911068,12.81389823,8.755111949,5.605617926,19.03532049,8.001362808,7.856901639,3.607262718,10.50403607,5.057325193,5.671910388,2.289775397,6.189961227,2.782579638,1.976582706,2.452038903,3.196230242,0.564629908,0.583260891,1.25E-08,5.18E-38,4.13E-89,6.36E-162,1.89E-256,0.470797141,4.094495855,0.656273974,6.497162223,0.111743954,5.434954092,9.197413693,3.233525546,2.915499807,2.546092996,5.632930737,0.72810565,1.657617443,1.322264059,4.052133226,1.711898519,2.252907126,1.507675766,1.414779812,0.723250015,0.486456902,0.141147934,0.170868624,0.003976735,0.004107954,8.81E-11,3.65E-40,2.91E-91,4.48E-164,1.33E-258,1.519068079,4.163438591,2.095722136,7.615233461,0.38679994,7.124389852,10.64513558,4.802709166,3.438212663,3.04890337,8.027200371,1.868319191,2.920969164,1.549417654,4.912976952,2.081775871,2.715365168,1.663025841,2.339862185,1.106446673,0.686023704,0.498232384,0.615743847,0.041440641,0.042808049,9.18E-10,3.80E-39,3.03E-90,4.67E-163,1.39E-257,5.291932661,4.950988058,7.297209674,16.16532375,1.75784843,15.31564103,17.84985632,12.09070811,8.160847231,5.375261197,18.09404427,7.434257199,7.476659142,3.382733292,9.947692507,4.741793111,5.379312915,2.240377049,5.880069193,2.643364243,1.848354384,2.270019881,2.949936408,0.503075083,0.519674953,1.11E-08,4.61E-38,3.68E-89,5.66E-162,1.68E-256,2.238673215,4.24849233,3.085307666,8.699303043,0.602270394,8.431760377,11.77842416,5.994627171,3.995760693,3.430203333,9.772173159,2.753303482,3.788830492,1.776393716,5.639352788,2.428619936,3.10273317,1.770943518,2.989639583,1.380531676,0.854077857,0.777392021,0.972404726,0.090014609,0.092984804,1.99E-09,8.25E-39,6.58E-90,1.01E-162,3.01E-257,6.770383313,5.489838941,9.344332522,21.44763055,2.457771974,19.4264297,21.52430328,15.64674306,11.22423883,6.507410707,22.65759235,10.23944209,9.265593636,4.534700399,12.74714108,6.351321187,6.849835016,2.474399689,7.357288701,3.312956416,2.493369605,3.172012545,4.177501021,0.823459656,0.850631193,1.82E-08,7.55E-38,6.02E-89,9.27E-162,2.75E-256,3.017745983,3.864325719,4.09911644,9.175956083,0.865873959,9.780281934,13.21168892,6.948904732,4.630677323,3.622490896,11.90839183,3.760929383,4.673776196,1.900610319,6.684998097,2.855991176,3.78381715,1.98350792,3.809618353,1.768405865,1.107979522,1.121437529,1.414702529,0.155831092,0.16097302,3.45E-09,1.43E-38,1.14E-89,1.75E-162,5.21E-257,13.65336395,2.71288222,0.048603628,0.831769046,0.16527,0.539294284,0.51095651,0.06046247,16.4148498,37.83542725,56.05055389,0.747653568,1.110713265,12.21979155,1.596235941,0.007602989,0.883978458,0.115471543,0.431973091,0.176864351,0.00148319,13.82363048,19.61071356,33.58264543,0.825967686,0.610320632,12.65867037,1.938134097,0.020166844,0.866025533,0.13259478,0.463563105,0.260762765,0.0104271,14.61697131,24.82857214,39.94032084,0.799038299,0.73475297,13.60100741,2.672107969,0.047107699,0.83338367,0.163729868,0.53516503,0.49571152,0.056802488,16.32022308,37.10994931,55.14222446,0.750075506,1.087679037,12.90008342,2.126185305,0.02707233,0.856958158,0.141243415,0.48141583,0.313830566,0.018782246,15.05334106,27.83476392,43.63064398,0.785437237,0.814028642,13.82587438,2.847225768,0.053532088,0.826578488,0.170221102,0.553012357,0.562818386,0.073327112,16.72663224,40.25793166,59.09187518,0.739867732,1.189157854,13.62068331,2.670574057,0.047017783,0.833667152,0.163455079,0.536710307,0.495136827,0.056585127,16.33827515,37.1410223,55.18957137,0.750500728,1.088432261 +UMLYSI0007,L,9-methylanthracene,CC1=C2C=CC=CC2=CC3=CC=CC=C13,aromatic,C15H12,779-02-2,13068,PubChem,,1182.1,0,2.9386,8.63536996,71.6318,34.401516,14,16,27,15,12,0,15,0,0,0,0,0,0,0,0,0,2176.154583,2597.775113,3719.635944,3975.912049,3219.291115,2203.431564,1175.460054,446.006066,54.524736,6725.758459,8576.626726,12667.12582,14216.5235,12708.05164,9815.199176,5885.371348,2596.878133,645.4489321,193.729308,213.600356,350.598048,442.352644,461.168236,441.577776,343.71708,181.114184,68.781312,47.16885486,60.77383172,91.65186922,105.7965067,99.08500552,81.11683864,51.90610863,24.27568658,7.121854669,4120.927166,3992.974626,6813.391004,8873.041246,9490.378039,9559.20091,7949.14267,4310.071109,1721.996103,65.88888889,82.44444444,123.7777778,147.5555556,147,130,89.66666667,44,14,80.59831789,89.57845217,77.4924155,65.17888605,50.30142367,35.53921877,23.98898069,17.15407946,5.4524736,249.1021652,295.7457492,263.8984546,233.0577623,198.5633068,158.3096641,120.1096193,99.8799282,64.54489321,7.175159556,7.365529517,7.304126,7.251682689,7.205753688,7.122222194,7.014634286,6.965930154,6.8781312,1.746994624,2.09564937,1.909413942,1.734368963,1.548203211,1.308336107,1.059308339,0.933680253,0.712185467,152.6269321,137.6887802,141.9456459,145.4596926,148.2871569,154.1806598,162.2274014,165.7719657,172.1996103,2.440329218,2.842911877,2.578703704,2.418943534,2.296875,2.096774194,1.829931973,1.692307692,1.4,0.069532862,-0.006207067,-0.017045714,0.004835476,-0.017817212,-0.012693135,0.001312098,-0.002713669,0.007930158,807.1067267,47.82854677,58.29104137,-74.73210432,-487.2533202,-400.5640792,136.0124299,137.507072,104.624946,1500.849423,88.93922506,108.3946805,-138.9675392,-906.0683553,-744.8660099,252.9209213,255.7002721,194.5545548,0.158106667,0.009369284,0.011418815,-0.014639506,-0.09544958,-0.078467753,0.026643901,0.026936691,0.020495309,6.709495232,0.397599717,0.484574656,-0.621249559,-4.050547122,-3.329897634,1.130674197,1.143099188,0.869749382,36.44608459,2.159767976,2.63221722,-3.374637462,-22.00263625,-18.0880568,6.141840181,6.20933293,4.724492447,5.637860082,-0.730376467,-0.154549611,0.34903216,-1.976985216,-2.52644414,0.830056394,0.439262308,0.463344002,0.002575291,-2.14E-04,-3.55E-04,7.93E-05,-2.78E-04,-2.05E-04,2.68E-05,-1.04E-04,7.93E-04,29.89284173,1.649260233,1.214396695,-1.225116464,-7.613333128,-6.460710954,2.775763875,5.288733537,10.4624946,55.58701566,3.06686983,2.258222511,-2.27815638,-14.15731805,-12.0139679,5.161651455,9.834625848,19.45545548,0.005855802,3.23E-04,2.38E-04,-2.40E-04,-0.0014914,-0.001265609,5.44E-04,0.001036027,0.002049531,0.248499823,0.013710335,0.010095305,-0.010184419,-0.063289799,-0.053708026,0.023074984,0.043965353,0.086974938,1.349854985,0.074474758,0.054837859,-0.055321926,-0.343791191,-0.291742852,0.125343677,0.238820497,0.472449245,0.208809633,-0.025185395,-0.003219784,0.005721839,-0.030890394,-0.040749099,0.016939926,0.016894704,0.0463344,-0.083111684,-0.137894717,0.030781025,-0.108101924,-0.079497023,0.010397857,-0.040528195,0.307932468,0.055172414,0.040625,-0.040983607,-0.2546875,-0.216129032,0.092857143,0.176923077,0.35,0.055172414,0.040625,-0.040983607,-0.2546875,-0.216129032,0.092857143,0.176923077,0.35,0.055172414,0.040625,-0.040983607,-0.2546875,-0.216129032,0.092857143,0.176923077,0.35,0.055172414,0.040625,-0.040983607,-0.2546875,-0.216129032,0.092857143,0.176923077,0.35,0.055172414,0.040625,-0.040983607,-0.2546875,-0.216129032,0.092857143,0.176923077,0.35,-0.120614145,-0.015419708,0.027402178,-0.147935675,-0.195149517,0.081126173,0.080909601,0.22189781,0.956016093,0.946610205,0.839239265,1.006805027,1.04624165,1.061728733,1.308242586,1.130312916,0.806896552,0.853125,0.959016393,1.18828125,1.19516129,0.955102041,0.9,0.78,0.806896552,0.853125,0.959016393,1.18828125,1.19516129,0.955102041,0.9,0.78,0.806896552,0.853125,0.959016393,1.18828125,1.19516129,0.955102041,0.9,0.78,0.806896552,0.853125,0.959016393,1.18828125,1.19516129,0.955102041,0.9,0.78,0.806896552,0.853125,0.959016393,1.18828125,1.19516129,0.955102041,0.9,0.78,1.015982884,0.843339416,0.819014,1.064849453,1.223169296,1.024817518,1.064233577,0.922335766,60.80595373,30.40297686,43.43231269,60.80595373,4.053730248,30.40297686,-1.42E-14,1.94E-16,1.30E-17,-54.26577717,5000047.953,333336.5302,23.13743709,60.80595373,30.40297686,43.43231269,60.80595373,4.053730248,30.40297686,-1.42E-14,1.94E-16,1.30E-17,-54.26577717,5000047.953,333336.5302,23.13743709,60.80595373,30.40297686,43.43231269,60.80595373,4.053730248,30.40297686,-1.42E-14,1.94E-16,1.30E-17,-54.26577717,5000047.953,333336.5302,23.13743709,60.80595373,30.40297686,43.43231269,60.80595373,4.053730248,30.40297686,-1.42E-14,1.94E-16,1.30E-17,-54.26577717,5000047.953,333336.5302,23.13743709,60.80595373,30.40297686,43.43231269,60.80595373,4.053730248,30.40297686,-1.42E-14,1.94E-16,1.30E-17,-54.26577717,5000047.953,333336.5302,23.13743709,60.80595373,30.40297686,43.43231269,60.80595373,4.053730248,30.40297686,-1.42E-14,1.94E-16,1.30E-17,-54.26577717,5000047.953,333336.5302,23.13743709,69.48766834,33.63305229,48.75465399,69.45063131,4.630042087,33.63305229,-0.111111111,0.003330202,2.22E-04,-8.557083644,215.3139178,14.35426118,8.058145569,0,11.85,12.15018815,-0.185357739,0.117392075,7.079324627,10.16169465,17,29,22,13,1,7,0,0,0,16,13.118484,4.095220119,3.647740396,3.12916721,3.007701689,2.567540613,2.438045021,2.423381032,1.784018474,2.187634009,1.833527276,1.511294167,1.309520925,1.067524232,1.015736734,0.754944655,0.560327636,4.100581081,3.658614878,3.148321828,3.024496119,2.592031282,2.485026816,2.438213691,1.834247057,2.171814502,1.802441821,1.442452084,1.258236935,0.98759924,0.940486562,0.688259368,0.446139876,4.125275026,3.708823372,3.243246948,3.104151946,2.710351745,2.688202299,2.51383724,2.061008496,2.130468065,1.719371685,1.264466493,1.121264373,0.736009322,0.727186956,0.531297147,0.107203352,4.104583947,3.66674555,3.162976763,3.037166378,2.610646428,2.51962716,2.449650396,1.871595523,2.162256839,1.78344064,1.400572723,1.226771927,0.93467862,0.893867634,0.649425939,0.37287476,4.138126203,3.734898189,3.29641227,3.146631842,2.782012705,2.774072243,2.558025104,2.174048923,2.118821645,1.695701441,1.217441147,1.083027564,0.678744284,0.637779281,0.492896113,0.002750311,4.071482805,3.692903629,3.178632908,3.066625666,2.66250563,2.584907344,2.42482351,1.920989182,2.194159666,1.751554631,1.358739141,1.181066213,0.867177463,0.824498568,0.647085179,0.299785156,0,0,0,9,5,1,0,0,0,0,0,0,0.212027588,0.387737156,0,0,0,0.073597751,0.119561655,0.79794895,0,0.293217604,0,0.436004234,0,0.120281306,0,2.357343086,4.162302883,6.158024053,1.094960675,1.627074256,2.01726885,10.25071238,7.360173345,6.511601649,5.891933902,5.148738959,4.302128619,2.794906166,1.987288646,0.683380825,0.432951373,0.271316735,0.173292174,0.111929108,0.071702144,0.046581769,0.031051385,8.696152423,5.232050808,3.943838465,3.040597895,2.241372498,1.554445449,0.856873107,0.504905558,0.579743495,0.307767695,0.164326603,0.08942935,0.048725489,0.025907424,0.014281218,0.007889149,18.25096682,26.32702112,25.35294118,25.56,19.79132695,198.853782,0.675961734,0.975074856,0.938997821,0.946666667,0.733012109,7.36495489,4.02102,65.094,156.7509835,183.2819491,317.3750244,21.15833496,156.7509835,0.06771608,0.004514405,-4.038647424,117.102979,7.806865267,7.144580565,189,0,0,0,14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,9,0,0,0,0,0,0,0,0,1,0,0,0,0,9,0,0,0,0,1,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26.13425926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.954861111,0,0,0,0,3.954861111,0,0,0,0,0,0,0,0,2.199074074,0,0,0,0,19.38564815,0,0,0,0,1.378425926,5.370185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.3275,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.434375,0,0,0,0,0.434375,0,0,0,0,0,0,0,0,2.199074074,0,0,0,0,2.093796296,0,0,0,0,1.378425926,1.3275,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.261574074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.443055556,0,0,0,0,0.443055556,0,0,0,0,0,0,0,0,2.199074074,0,0,0,0,2.261574074,0,0,0,0,1.378425926,1.357592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,28.33333333,1.888888889,0.444444444,2.261574074,0.1875,1.3275,8.815635833,0.339166667,0.261574074,3.169444444,0.339166667,0.261574074,3.169444444,7.5,0.5,0,0,0.52222,0.7,0.44634,0.44634,0.7,0.07588,0.07588,0,0,0.71429,0,0,0.06667,0.33333,0,22.5,1.5,8.5,0.56667,14,0.93333,5.5,0.36667,0,0,8.34998,0.55667,20.65802,12.30803,0.82054,2.87527,0.19168,7.36014,4.48488,0.29899,0.05386,0.00359,0.31186,0.02079,0.518518519,79,0,0,0,0,0,0,0.066666667,0.99107606,2.169200927,2.78139815,3.541743521,4.060262039,4.282484261,26.75905362,58.56842503,75.09775004,95.62707506,109.6270751,115.6270751,0.208433125,0.456204469,0.584955616,0.744863789,0.853913376,0.900648913,3.763811442,2.585686575,1.973489352,1.213143982,0.694625463,0.472403241,0.190245692,0.416397033,0.533913629,0.679868553,0.779402704,0.822060197,6.177348133,16.35141939,23.69778606,27.72102189,30.68630338,31.72449968,48.63944534,46.24929308,35.24712086,28.36480326,23.09251066,21.34814955,10.17301038,4.107638889,1.743944637,0,14,0,3.11,1.5953,0,2.282501772,2.44179671,0,11.65677206,17.34526913,0,6.083643419,0,0,0,0,0,0,0,0,0,0,0,0.003,0.253,0.244,1.237,2.136,8.272,24,34,46,60,60,64,66,66,44,496,3.258096538,3.979681654,4.711779921,5.410529357,6.090036447,6.483202913,6.955533026,7.403213426,7.808475416,7.776739823,9.110746617,18.24808625,0.428571429,3,0,0,0,3,0,0,0,0,0,0,0,3,0,0,0,0,0,0,2,0,0,1,6,0,0,3,0,0,0,2,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.058823529,0,4,7,0.75,2,1.777777778,1.1875,1.08,0.236111111,0.078367347,0,0,0,0,0.117647059,0.074074074,0.0475,0.056842105,0.019675926,0.013061224,0,0,0,0,0.328800389,44.56630206,64.11030581,89.13260412,5.942173608,44.56630206,8.33E-16,5.55E-17,-52.08284632,5000047.953,333336.5302,23.13743709,0,179.7716411,4.906890596,4.418840608,5.293304825,6.184148891,7.075808864,7.974188669,8.870522545,9.77115544,10.66893214,11.57029774,103.8271997,3.555348061,0,4.875197323,0,6.434546519,0,8.103796713,0,9.827416116,10.02756187,192.0939004,7.114588903,31.34150067,2.089433378,0,0,0,326,25,4.758,82,1.278407238,2.272147278,3.173335437,4.114680583,4.960064009,6.03578635,7.158474855,8.352255571,9.430938674,0,124.055318,187.4500388,216.1260261,222.2651972,191.8910666,156.2846819,126.2553822,45.60591952,9.582437272,0,400.36772,627.7951886,765.4223397,855.1357461,833.3242629,759.5938288,732.8403577,539.5892181,293.1488875,0,9.446665153,16.64252736,23.0678454,29.71332265,35.4498066,42.42465165,49.93805322,57.45026578,63.36142196,0,2.800001249,4.497319635,5.659428647,6.586023493,6.793663064,6.610695227,6.816985899,5.952303506,4.193117039,0,174.1222667,319.4354179,457.618729,605.8862281,755.6832297,972.890675,1180.978237,1438.067479,1743.947036,0,3.730414879,6.008898205,7.845401316,9.671757086,10.78221902,11.3299702,12.30751774,11.69906046,9.430938674,0,0.571777175,0.922981409,1.168682038,1.370271395,1.428262322,1.407851374,1.468147893,1.315791323,0.96572812,0,256.9033465,165.1644825,13.8190302,140.4811261,-90.31603831,-6.915468867,116.4222205,255.4805208,20.73449907,0.646485618,0.415628928,0.034774963,0.353514382,-0.227276214,-0.017402464,102.0894009,65.63380077,5.491468028,55.8250182,-35.89019125,-2.748099948,0.09794068,0.095140191,1.581653371,1.130987606,397.3844726,0,1,0,1249.664109,35.35058852,10.77120849,1367.819352,36.98404186,11.10050955,2396.580789,48.95488524,13.38229783,2.583544385,2.583544385,1442.91326,1087.022883,359.2624558,1.327399159,4.016320761,3.025706876,5.198103253,5.289929508,9.446243152,0.78570303,4.081759174,7.038027206,3.385231432,24.83142877,0.982631505,10.52305134,11.31010102,7.54614081,20.78644171,2.859803287,12.64635189,2.314659343,7.347265695,3.695708862,3.606290291,0.703862297,0.671779006,1.239809039,4.96E-14,5.98E-49,1.43E-105,6.58E-184,5.85E-284,0,0,0,0,0,0,0,0.34257902,6.920243517,0.271626321,16.10064145,0.906837884,1.148495452,1.465435505,0.669280713,8.109211006,0.406818843,2.668465858,1.260539959,0.466478401,0.368568942,0.050980623,0.059070285,0.004731394,0.008732076,3.49E-16,4.21E-51,1.00E-107,4.63E-186,4.12E-286,0,0,0,0,0,0,0,1.105825406,6.928114302,0.885052706,17.0303553,0.921836393,3.004331914,3.429521016,1.826544395,10.21670779,0.725212105,3.961647883,1.377526945,1.479586019,1.047701673,0.330404419,0.190686081,0.049304778,0.090994969,3.64E-15,4.39E-50,1.05E-106,4.83E-185,4.29E-285,0,0,0,0,0,0,0,3.852849244,7.025095676,3.18679103,23.99537615,0.977824289,9.928731773,10.69134935,7.03795849,19.84047319,2.645136981,11.77248109,2.215393634,6.787561727,3.492021102,3.230753914,0.664388592,0.598543,1.104647533,4.42E-14,5.32E-49,1.27E-105,5.86E-184,5.21E-284,0,0,0,0,0,0,0,1.629770122,6.938318966,1.312720593,17.92167763,0.932272719,4.295440834,4.791290463,2.69414576,11.80601848,0.997911649,5.07014246,1.48698689,2.291269705,1.513907216,0.654733044,0.281036199,0.107096567,0.197653232,7.91E-15,9.53E-50,2.27E-106,1.05E-184,9.33E-285,0,0,0,0,0,0,0,4.92930961,7.092402492,4.128854717,28.26935411,1.000620289,12.74673001,13.61930431,9.526704214,24.48182051,3.727846765,16.18055495,2.721632607,9.576816557,4.449875955,5.175996604,0.850015659,0.979726545,1.808144964,7.24E-14,8.72E-49,2.08E-105,9.60E-184,8.53E-284,0,0,0,0,0,0,0,2.288060145,6.29918849,1.77404256,18.11384497,0.979962793,5.231190613,6.047181923,3.470538346,13.8351277,1.391502616,6.603496993,1.781993086,3.357064209,2.107374009,1.104019519,0.394552568,0.188284081,0.347489731,1.39E-14,1.67E-49,4.00E-106,1.84E-184,1.64E-284,0,0,0,0,0,0,0,7.05376759,3.360323929,0.061946766,0.673323961,0.320762853,0.499546441,0.541087229,0.074094019,10.47603829,24.34806332,36.29242233,0.509985941,1.11472769,5.649881503,1.886818963,0.008771064,0.748777791,0.250059782,0.320483456,0.170583453,0.001485422,7.54547153,10.72640844,18.36538217,0.623166686,0.49255233,6.073801259,2.331789889,0.02482863,0.720462494,0.276592382,0.370380602,0.260535786,0.011902852,8.430419778,14.37152768,23.15359108,0.580693741,0.64281924,7.00150985,3.305479703,0.059967467,0.675367886,0.318847633,0.492171446,0.523568525,0.069434813,10.36695702,23.76143275,35.51623776,0.513051829,1.085174783,6.309171266,2.578837287,0.033743959,0.707167259,0.289050529,0.399643242,0.318670519,0.021985569,8.921752512,16.57024271,26.04102043,0.560750888,0.740299329,7.22649304,3.541595593,0.068488815,0.6668612,0.326818648,0.524313247,0.601040975,0.090570177,10.83657745,26.33080953,38.92024284,0.5002918,1.215924399,7.016751164,3.306384252,0.059868101,0.675792043,0.318441985,0.494316457,0.523855025,0.069204898,10.38300352,23.81810207,35.59005006,0.513688065,1.08737638 +UMLYSI0008,L,1-phenylnaphthalene,C1=CC=C(C=C1)C2=CC=CC3=CC=CC=C32,aromatic,C16H12,605-02-7,11795,PubChem,,1103.7,0,2.96,8.7616,77.6684,36.161516,16,17,28,16,12,0,16,0,0,0,0,0,0,0,0,0,2320.418704,2742.039234,3752.909016,3834.69612,3280.837748,2836.954361,1961.294675,988.778285,275.495641,7149.275361,9000.143628,12918.08443,13886.25783,12390.57971,11036.37614,8442.705599,4931.14213,1881.72051,201.269824,221.140872,351.795552,454.96752,432.322256,409.30154,370.37774,274.512884,145.901476,49.95775486,63.56273172,93.65866344,104.3414454,94.96832116,85.93268975,68.97497125,43.10889827,18.37047215,4247.721522,4119.768982,6718.005691,9300.999846,8915.149865,8566.561901,8022.508521,6253.474759,3507.196353,71.11111111,88.33333333,130.2222222,149.7777778,141.3333333,133.3333333,113,74.66666667,34,82.87209657,91.4013078,78.1856045,60.86819238,54.68062913,49.77112914,37.71720529,25.35328936,13.11884005,255.3312629,300.0047876,269.1267591,220.416791,206.5096619,193.620634,162.3597231,126.4395418,89.60573856,7.188208,7.3713624,7.329074,7.221706667,7.205370933,7.180728772,7.122648846,7.038791897,6.947689333,1.784205531,2.118757724,1.951222155,1.65621342,1.582805353,1.507591048,1.326441755,1.105356366,0.874784388,151.7043401,137.3256327,139.9584519,147.6349182,148.5858311,150.2905597,154.27901,160.3455066,167.0093502,2.53968254,2.944444444,2.712962963,2.377425044,2.355555556,2.339181287,2.173076923,1.914529915,1.619047619,0.08686967,-0.006546046,-0.034441401,0.004910402,3.50E-04,-0.0041773,-0.018276027,-0.005747138,0.005117033,830.1669189,44.4732278,-177.8929112,-8.53E-14,-187.7758507,-185.3051158,-210.0124646,2.470734878,121.066009,1543.730835,82.69986616,-330.7994646,1.99E-13,-349.1772127,-344.5827757,-390.5271458,4.594437009,225.1274134,0.162624,0.008712,-0.034848,2.83E-16,-0.036784,-0.0363,-0.04114,4.84E-04,0.023716,6.901195096,0.36970688,-1.478827521,3.11E-15,-1.560984605,-1.540445334,-1.745838045,0.020539271,1.006424285,37.48740129,2.008253641,-8.033014563,-6.79E-14,-8.479293149,-8.367723503,-9.48341997,0.111569647,5.466912688,6.095238095,-0.482993197,-2.131519274,0.444444444,-0.235827664,-0.471655329,-1.430839002,-0.362811791,0.476190476,0.003102488,-2.18E-04,-7.18E-04,7.79E-05,5.84E-06,-7.33E-05,-3.51E-04,-1.47E-04,2.44E-04,29.64881853,1.482440927,-3.706102316,-1.35E-15,-3.129597512,-3.250966944,-4.038701242,0.063352176,5.765048048,55.13324411,2.756662205,-6.891655513,3.16E-15,-5.819620211,-6.045311854,-7.510137418,0.117806077,10.72035302,0.005808,2.90E-04,-7.26E-04,4.49E-18,-6.13E-04,-6.37E-04,-7.91E-04,1.24E-05,0.001129333,0.246471253,0.012323563,-0.030808907,4.93E-17,-0.02601641,-0.027025357,-0.033573809,5.27E-04,0.047924966,1.33883576,0.066941788,-0.16735447,-1.08E-15,-0.141321552,-0.146802167,-0.182373461,0.00286076,0.260329176,0.217687075,-0.016099773,-0.044406652,0.007054674,-0.003930461,-0.008274655,-0.027516135,-0.009302866,0.022675737,-0.070331143,-0.231275396,0.025122704,0.00188206,-0.023621676,-0.113283932,-0.047498169,0.078539613,0.05,-0.125,-4.56E-17,-0.105555556,-0.109649123,-0.136217949,0.002136752,0.194444444,0.05,-0.125,5.73E-17,-0.105555556,-0.109649123,-0.136217949,0.002136752,0.194444444,0.05,-0.125,7.73E-16,-0.105555556,-0.109649123,-0.136217949,0.002136752,0.194444444,0.05,-0.125,2.00E-16,-0.105555556,-0.109649123,-0.136217949,0.002136752,0.194444444,0.05,-0.125,-8.06E-16,-0.105555556,-0.109649123,-0.136217949,0.002136752,0.194444444,-0.073958333,-0.203993056,0.032407407,-0.018055556,-0.038011696,-0.126402244,-0.042735043,0.104166667,0.938793427,1.053842801,0.826403741,0.895453064,1.013757748,1.185047192,1.186409559,1.098376556,0.7875,0.984375,0.9375,1.05,1.070723684,1.135817308,1.060096154,0.9375,0.7875,0.984375,0.9375,1.05,1.070723684,1.135817308,1.060096154,0.9375,0.7875,0.984375,0.9375,1.05,1.070723684,1.135817308,1.060096154,0.9375,0.7875,0.984375,0.9375,1.05,1.070723684,1.135817308,1.060096154,0.9375,0.7875,0.984375,0.9375,1.05,1.070723684,1.135817308,1.060096154,0.9375,0.93515625,1.025390625,0.8359375,0.931054688,1.027549342,1.187875601,1.161057692,1.0546875,75.58667528,37.79333764,56.19921483,75.58667528,4.724167205,37.79333764,0,0.143596595,0.008974787,-3.105195733,129.7230707,8.107691919,7.784643125,75.58667528,37.79333764,56.19921483,75.58667528,4.724167205,37.79333764,0,0.143596595,0.008974787,-3.105195733,129.7230707,8.107691919,7.784643125,75.58667528,37.79333764,56.19921483,75.58667528,4.724167205,37.79333764,0,0.143596595,0.008974787,-3.105195733,129.7230707,8.107691919,7.784643125,75.58667528,37.79333764,56.19921483,75.58667528,4.724167205,37.79333764,0,0.143596595,0.008974787,-3.105195733,129.7230707,8.107691919,7.784643125,75.58667528,37.79333764,56.19921483,75.58667528,4.724167205,37.79333764,0,0.143596595,0.008974787,-3.105195733,129.7230707,8.107691919,7.784643125,75.58667528,37.79333764,56.19921483,75.58667528,4.724167205,37.79333764,0,0.143596595,0.008974787,-3.105195733,129.7230707,8.107691919,7.784643125,86.73935424,42.71994786,65.09605507,86.67685424,5.41730339,42.71994786,-0.1,0.121914697,0.007619669,-3.367093894,134.8187669,8.426172931,7.846290255,0,11.85,12.15020408,-0.183366233,0.119921066,6.719832899,10.71076105,18,30,22,13,1,8,0,0,0,17,13.118484,4.024890926,3.713979761,3.287635008,2.927791584,2.619181914,2.538826852,2.48578658,2.080053941,2.131475649,1.902533715,1.565549012,1.203915447,1.082250302,0.966579312,0.870570829,0.697365214,4.031151866,3.725336454,3.304115074,2.942411412,2.645815032,2.561600504,2.504969357,2.11385384,2.113481108,1.871683362,1.520072726,1.15449569,1.007167592,0.893313704,0.800385525,0.598286239,4.059895129,3.777194123,3.380169486,3.012707617,2.771820215,2.672648731,2.600184299,2.280135232,2.06591608,1.787975369,1.396097731,1.028034185,0.798620231,0.696956155,0.621464675,0.316357484,4.035822373,3.73379761,3.316441491,2.953486135,2.665925019,2.578958008,2.51965915,2.13975392,2.102550858,1.85270868,1.492000509,1.124770624,0.960278991,0.848168097,0.758081112,0.535504962,4.07477788,3.80377796,3.419485562,3.050922809,2.838078588,2.733161454,2.653493102,2.369909899,2.052400596,1.76372922,1.360320576,0.993904226,0.738564276,0.642815235,0.574296738,0.235479857,4.006437045,3.755075123,3.359279964,2.948646201,2.722592367,2.602020493,2.513559097,2.17432515,2.129829381,1.825542027,1.440267883,1.113606694,0.889742168,0.804409912,0.739748751,0.475299447,0,0,0,12,4,0,0,0,0,0,0,0,0.253436788,0.301472408,0,0,0,0.083909054,0.085769812,0.60549886,0,0.191638319,0,0.311004234,0,0.068945856,0,1.82649207,3.299659829,4.825542751,0.777510585,1.160683603,1.404679871,10.79468245,7.949489743,6.701239683,5.885515811,5.135843971,4.353039921,2.560085288,1.895305395,0.674667653,0.441638319,0.27921832,0.178348964,0.116723727,0.077732856,0.050197751,0.033844739,8.92820323,5.482050808,3.89273441,2.874429817,2.094847746,1.475409353,0.727780632,0.446197317,0.558012702,0.304558378,0.162197267,0.087103934,0.047610176,0.026346596,0.014270208,0.007967809,19.25096682,27.32702112,26.35294118,26.56,20.79132695,205.5964766,0.687534529,0.97596504,0.941176471,0.948571429,0.742547391,7.342731309,4.5068,69.384,139.6891872,194.7040633,279.3783745,17.46114841,139.6891872,0.062522789,0.003907674,-4.435558665,84.68895989,5.293059993,7.102376399,220,0,0,0,16,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,0,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,12,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,30.66666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.4,0,0,0,0,5.4,0,0,0,0,0,0,0,0,0,0,0,0,0,25.47402494,0,0,0,0,2.581481481,2.611160242,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.27712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,2.050228647,0,0,0,0,1.27712963,1.295234316,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.178240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,2.178240741,0,0,0,0,1.304351852,1.315925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,30.66666667,1.916666667,0.45,2.178240741,0.25,1.27712963,9.005157275,0.389537037,0.178240741,2.948049887,0.389537037,0.178240741,2.948049887,8,0.5,0,0,0.52857,0.7,0.44545,0.44545,0.7,0.08312,0.08312,0,0,0.71429,0,0,0,0.25,0,25,1.5625,9,0.5625,16,1,7,0.4375,0,0,7.81756,0.4886,21.89795,14.08038,0.88002,2.85445,0.1784,7.94947,5.09502,0.31844,-0.03547,-0.00222,0.22253,0.01391,0.571428571,84,0,0,0,0,0,0,0,0.985228136,1.448815636,2.020244207,3.056656707,4.021640636,4.593069208,27.58638781,40.5668378,56.5668378,85.58638781,112.6059378,128.6059378,0.204941834,0.301374802,0.420240286,0.635829215,0.836559959,0.955425443,3.822126786,3.358539286,2.787110715,1.750698215,0.785714286,0.214285714,0.187064376,0.275085315,0.383581942,0.580364646,0.763585273,0.872081899,6.0641299,11.6271799,18.48432275,26.21034063,31.10865236,34.04001844,50.57577389,53.63134404,47.10182396,33.71747059,24.87427702,20.14685751,11.11111111,5.104166667,2.339761249,0,16,0,3.22,1.6932,0,0,0,0,19.24716437,18.48992812,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0.003,0.279,0.28,1.361,2.264,8.734,24,33,44,56,51,56,57,55,41,451,3.314186005,3.951243719,4.627420795,5.281933887,5.901266279,6.123862485,6.593044534,6.998052917,7.355234171,7.363392285,8.728048108,13.68662088,0.5,3,0,0,0,3,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,4,0,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.055555556,1,0.055555556,1,4,8,1,1.5,1.555555556,0.875,0.546666667,0.173611111,0.118367347,0.048611111,0,0,0,0.083333333,0.064814815,0.036458333,0.027333333,0.010212418,0.010760668,0.009722222,0,0,0,0.242635123,52.95262094,77.31463387,105.9052419,6.619077618,52.95262094,0.097232158,0.00607701,-3.72904604,212.4367325,13.27729578,8.573830744,0,194.431167,5,4.442651256,5.293304825,6.159095388,7.029087564,7.904334842,8.780326391,9.65867338,10.53696434,11.4165357,105.2209737,3.610917913,0,4.890349128,0,6.408528791,0,8.031710375,0,9.706072662,9.917538376,204.0939004,7.289067871,33.45625675,2.091016047,0,0,0,412,24,5.06,84,1.255960529,2.244209175,3.089296542,4.036819211,4.814801197,5.526946831,6.334315455,7.293899353,8.255971573,8.972186337,122.9880844,183.802283,193.9918341,229.8326619,249.4210422,220.5033496,167.4688617,95.3177393,33.87180678,9.116315539,395.9336744,623.4568603,700.4016228,854.9865006,957.5438046,930.7262454,826.1282293,658.0276691,448.8309281,278.8891471,9.284352353,16.47465373,22.36407377,29.11645446,34.62046323,39.43801591,44.66562618,50.70804945,56.38459327,60.27931091,2.764921674,4.484644351,5.242883893,6.505642141,7.405109494,7.531746385,7.172636804,6.424548179,5.20767692,3.98914983,170.8436422,312.435067,452.0521763,597.9558263,720.4192293,847.609819,1009.615422,1215.498946,1453.621086,1659.115631,3.788621276,6.184617477,7.494379338,9.630353042,11.41030586,12.23963702,12.35433433,11.88019569,10.55361436,8.972186337,0.564448798,0.92083459,1.085419338,1.351103377,1.542599197,1.582055952,1.525912263,1.39390047,1.161567136,0.918751881,257.567008,191.8528446,15.95930967,234.6698372,-174.7975261,-12.5165335,22.89717081,366.6503708,28.47584317,0.523258286,0.38975718,0.032422014,0.476741714,-0.355108578,-0.025427868,126.7839714,94.43703897,7.855760243,115.5131403,-86.04178281,-6.161098964,0.083746813,0.082864046,1.083800852,1.420249568,492.2368452,0,1,0,1406.317845,37.5009046,11.20369204,1525.110026,39.05265709,11.5106644,2723.878329,52.19078778,13.96569548,1.303020664,1.301339798,1592.290742,1143.181685,451.7028289,1.392858863,3.525084724,2.530826932,5.370770879,5.210020969,9.366639976,0.797812337,4.327007228,4.342792393,7.122070504,15.5309213,1.948120868,8.594037701,13.13186033,7.074401847,10.21398095,4.173828594,17.19070309,0.59530039,7.535843855,1.107626349,5.351064976,0.037113493,2.853361094,0.1718445,3.79E-18,1.64E-56,1.37E-116,2.20E-198,6.84E-302,0,0,0,0,0,0,0,0.363386968,3.568393373,0.598293325,7.703402958,0.074931686,3.677820156,5.091470213,0.613151456,5.116183083,1.71678918,5.068246027,0.107269566,1.403427474,0.093819874,0.304910465,0.003114312,0.020096455,0.001210315,2.67E-20,1.15E-58,9.64E-119,1.55E-200,4.81E-304,0,0,0,0,0,0,0,1.172443045,3.642547673,1.929934109,8.665399987,0.205905457,4.681324967,6.479471234,1.82330957,5.836628106,1.90726022,7.18363841,0.161996627,2.157505272,0.300012296,1.079284117,0.01005362,0.209420561,0.012612414,2.78E-19,1.20E-57,1.00E-117,1.62E-199,5.02E-303,0,0,0,0,0,0,0,4.084356062,4.265697168,6.722689108,14.82681317,1.744514209,8.293070386,12.55005468,6.640386897,9.788648079,3.913366585,16.32155158,0.549542744,6.98435933,1.045297547,4.951701074,0.035031858,2.542293364,0.153110356,3.38E-18,1.46E-56,1.22E-116,1.96E-198,6.09E-302,0,0,0,0,0,0,0,1.727835664,3.718368984,2.844064123,9.514552977,0.37045598,5.37019956,7.507474905,2.686326645,6.426242531,2.130373687,8.742401176,0.212893938,2.822927273,0.441778757,1.686776337,0.01481743,0.454889442,0.027395849,6.04E-19,2.61E-57,2.18E-117,3.51E-199,1.09E-302,0,0,0,0,0,0,0,5.225436612,4.661948753,8.60080054,18.39328871,2.802959558,9.708384204,15.38773471,8.725034379,11.91738324,5.263148663,20.55300541,0.782751756,9.777648443,1.33870194,6.932419779,0.044821113,4.161358992,0.250619053,5.53E-18,2.39E-56,2.00E-116,3.21E-198,9.97E-302,0,0,0,0,0,0,0,2.355860005,3.447879053,3.816925894,9.847220551,0.580215832,5.652239249,8.623735051,3.411998918,7.339235269,2.433137095,10.60379313,0.280996449,3.725905615,0.579746693,2.402786763,0.020204158,0.776718332,0.046778087,1.03E-18,4.46E-57,3.72E-117,5.99E-199,1.86E-302,0,0,0,0,0,0,0,7.043716074,3.503134425,0.012150374,0.667081683,0.331767604,0.521917465,0.50993581,0.344001953,10.55900087,24.80323244,35.66204482,0.500622525,1.375855227,5.597509065,2.208383385,0.006354502,0.716504368,0.282682229,0.329744078,0.202789895,0.076354595,7.812246952,12.41104858,20.30184636,0.574756552,0.608888567,6.026825335,2.592792708,0.008109456,0.698541457,0.300518614,0.382208931,0.279484529,0.135527851,8.627727499,15.69620919,24.45065755,0.547812185,0.79722131,6.988607701,3.453807509,0.011934182,0.668488056,0.330370392,0.513789776,0.495691733,0.330289944,10.45434939,24.26192744,35.00433583,0.502732084,1.339771453,6.26791446,2.808645401,0.00907938,0.689870497,0.309130192,0.413368086,0.327921161,0.176340495,9.085639241,17.68675866,26.93223448,0.534805746,0.917629742,7.226584371,3.666811738,0.012866084,0.662608714,0.336211589,0.549344827,0.558641363,0.39144863,10.90626219,26.63867974,37.88587417,0.498230455,1.49943482,6.9953288,3.456084793,0.011936511,0.66855536,0.330303847,0.514775892,0.496337139,0.330218646,10.4633501,24.3012029,35.05313545,0.502833041,1.341331677 +UMLYSI0009,L,triphenylmethane,C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=CC=C3,aromatic,C19H16,519-73-3,10614,PubChem,,1093.3,0,3.6894,13.61167236,92.8546,44.108688,18,18,35,19,16,0,19,0,0,0,0,0,0,0,0,0,2757.275323,3223.259949,4294.665171,4415.821731,4385.596851,4848.614094,4131.362616,2336.695212,747.748011,8544.161044,10729.6408,15221.26469,16626.89917,16469.19179,17897.44987,16826.43909,11335.57027,4770.239364,250.765228,272.232948,438.475788,583.156044,602.113932,605.777592,666.101472,593.375664,354.687852,60.10290648,76.38360896,112.0472622,127.4045159,126.7315604,135.7712159,133.7341863,97.5876366,45.76247316,5367.775198,5112.642241,8476.491689,12073.60644,12723.74471,12453.98951,14085.4469,13309.43821,8493.347862,86.11111111,106,155.3333333,180,183,206,217,168,84,78.77929494,87.11513376,71.57775285,54.51631767,52.20948632,57.72159636,44.42325394,27.81780014,14.66172571,244.118887,289.9902919,253.6877448,205.2703601,196.061807,213.0648794,180.9294526,134.9472652,93.53410519,7.1647208,7.357647243,7.3079298,7.199457333,7.168023,7.211638,7.162381419,7.063996,6.954663765,1.717225899,2.064421864,1.86745437,1.572895258,1.508709052,1.616323999,1.438002003,1.161757579,0.897303395,153.3650057,138.17952,141.2748615,149.0568697,151.4731513,148.2617799,151.4564183,158.445693,166.5362326,2.46031746,2.864864865,2.588888889,2.222222222,2.178571429,2.452380952,2.333333333,2,1.647058824,0.118474147,-0.001450864,-0.060160577,-0.018709145,0.041290215,0.023579881,-0.047705656,-0.042308392,0.01188793,1051.544764,50.60065029,-308.3477127,-150.6159981,153.58088,-74.7150227,-480.014372,-282.2567524,211.0995879,1955.392391,94.09406994,-573.3857387,-280.0768801,285.5902045,-138.9357752,-892.6072221,-524.8684839,392.548698,0.2059904,0.00991232,-0.0604032,-0.02950464,0.03008544,-0.01463616,-0.09403152,-0.05529216,0.04135296,8.741513788,0.420644273,-2.563301036,-1.252073967,1.276721093,-0.621107559,-3.990369593,-2.346406333,1.754875324,47.48404164,2.284946364,-13.92389191,-6.801285663,6.935169239,-3.373866116,-21.67575096,-12.74571644,9.532510614,7.86031746,-0.176145125,-3.589115646,-2.248163265,2.973333333,2.04952381,-2.714557823,-3.055238095,0.651156463,0.003384976,-3.92E-05,-0.001002676,-2.31E-04,4.92E-04,2.81E-04,-5.13E-04,-5.04E-04,2.33E-04,30.04413611,1.367585143,-5.139128545,-1.859456767,1.828343809,-0.889464556,-5.16144486,-3.360199433,4.139207607,55.86835403,2.543082971,-9.556428979,-3.45773926,3.399883387,-1.653997323,-9.597927119,-6.248434332,7.697033295,0.00588544,2.68E-04,-0.00100672,-3.64E-04,3.58E-04,-1.74E-04,-0.001011092,-6.58E-04,8.11E-04,0.249757537,0.011368764,-0.042721684,-0.015457703,0.015199061,-0.007394138,-0.0429072,-0.027933409,0.03440932,1.356686904,0.061755307,-0.232064865,-0.08396649,0.082561539,-0.040165073,-0.233072591,-0.15173472,0.186911973,0.224580499,-0.004760679,-0.059818594,-0.027755102,0.035396825,0.024399093,-0.029188794,-0.036371882,0.012767774,-0.011584291,-0.296213737,-0.06823597,0.145215277,0.082929067,-0.15154143,-0.148796148,0.068862142,0.045519203,-0.171052632,-0.061890838,0.060855263,-0.029605263,-0.171795416,-0.111842105,0.137770898,0.045519203,-0.171052632,-0.061890838,0.060855263,-0.029605263,-0.171795416,-0.111842105,0.137770898,0.045519203,-0.171052632,-0.061890838,0.060855263,-0.029605263,-0.171795416,-0.111842105,0.137770898,0.045519203,-0.171052632,-0.061890838,0.060855263,-0.029605263,-0.171795416,-0.111842105,0.137770898,0.045519203,-0.171052632,-0.061890838,0.060855263,-0.029605263,-0.171795416,-0.111842105,0.137770898,-0.021198096,-0.266357027,-0.12358643,0.157613086,0.108642973,-0.129970295,-0.161954766,0.056851658,0.933231302,1.174523311,0.959947111,0.733937785,0.854624728,1.182820555,1.22923344,1.027743273,0.846372688,1.076480263,1.014863548,0.908717105,0.978618421,1.136460102,1.118421053,0.921052632,0.846372688,1.076480263,1.014863548,0.908717105,0.978618421,1.136460102,1.118421053,0.921052632,0.846372688,1.076480263,1.014863548,0.908717105,0.978618421,1.136460102,1.118421053,0.921052632,0.846372688,1.076480263,1.014863548,0.908717105,0.978618421,1.136460102,1.118421053,0.921052632,0.846372688,1.076480263,1.014863548,0.908717105,0.978618421,1.136460102,1.118421053,0.921052632,0.94174344,1.129442649,1.005729073,0.72092084,0.858239095,1.178279222,1.235864297,1.017770598,112.7653115,56.38265573,75.28311781,112.7653115,5.935016393,56.38265573,2.84E-14,8.50E-17,4.47E-18,-70.30734037,3001606.984,157979.3149,28.33785089,112.7653115,56.38265573,75.28311781,112.7653115,5.935016393,56.38265573,2.84E-14,8.50E-17,4.47E-18,-70.30734037,3001606.984,157979.3149,28.33785089,112.7653115,56.38265573,75.28311781,112.7653115,5.935016393,56.38265573,2.84E-14,8.50E-17,4.47E-18,-70.30734037,3001606.984,157979.3149,28.33785089,112.7653115,56.38265573,75.28311781,112.7653115,5.935016393,56.38265573,2.84E-14,8.50E-17,4.47E-18,-70.30734037,3001606.984,157979.3149,28.33785089,112.7653115,56.38265573,75.28311781,112.7653115,5.935016393,56.38265573,2.84E-14,8.50E-17,4.47E-18,-70.30734037,3001606.984,157979.3149,28.33785089,112.7653115,56.38265573,75.28311781,112.7653115,5.935016393,56.38265573,2.84E-14,8.50E-17,4.47E-18,-70.30734037,3001606.984,157979.3149,28.33785089,145.6672802,72.30557195,99.00793177,145.5638176,7.661253559,72.30557195,-0.218421053,0.003242697,1.71E-04,-10.88956462,512.9606013,26.99792638,11.85637818,0,11.85,12.15025325,-0.209585156,0.090728779,6.794085937,12.08056814,21,37,28,19,3,9,0,0,0,18,17.491312,3.918386781,3.685571875,3.685571875,3.012687334,2.619181914,2.619181914,2.619181914,2.504002052,2.067089259,1.887024474,1.887024474,1.312732124,1.082250302,1.082250302,1.082250302,0.918665126,3.92743267,3.697839778,3.697839778,3.029733631,2.645815032,2.645815032,2.645815032,2.524959487,2.042813741,1.85438747,1.85438747,1.262167988,1.007167592,1.007167592,1.007167592,0.844854126,3.968493509,3.753641659,3.753641659,3.10981275,2.771820215,2.771820215,2.771820215,2.62904968,1.976992546,1.765197588,1.765197588,1.126857275,0.798620231,0.798620231,0.798620231,0.652258884,3.934157714,3.706968874,3.706968874,3.042557404,2.665925019,2.665925019,2.665925019,2.541019993,2.027899556,1.834252271,1.834252271,1.231169624,0.960278991,0.960278991,0.960278991,0.799840051,3.989434742,3.782107253,3.782107253,3.152040033,2.838078588,2.838078588,2.838078588,2.687104756,1.95786391,1.739187207,1.739187207,1.088699692,0.738564276,0.738564276,0.738564276,0.600771853,3.908238133,3.738980843,3.738980843,3.000341235,2.724780968,2.724780968,2.724780968,2.55239744,2.062852716,1.796072785,1.796072785,1.255734367,0.887748932,0.887748932,0.887748932,0.764006768,0,0,0,15,3,0,0,1,0,0,0,0,0.306186218,0.176776695,0,0,0,0.096225045,0.055555556,0.611111111,0,0.166666667,0,0.360843918,0,0.072168784,0,1.755861571,3.382993162,5.046463508,0.872008468,1.388354503,1.70680177,12.91600279,9.449489743,7.771620558,6.582482905,5.711901453,4.78660705,2.662954467,2.041241452,0.679789621,0.449975702,0.287837798,0.182846747,0.118997947,0.079776784,0.049313972,0.034020691,10.73760431,6.598076211,4.665063509,3.398717474,2.513817295,1.769800359,0.88091147,0.555555556,0.565137069,0.314194105,0.17278013,0.094408819,0.052371194,0.029496673,0.016313175,0.009259259,23.33462243,34.10269483,32.80392157,33.08,25.38843593,258.3956814,0.666703498,0.974362709,0.937254902,0.945142857,0.725383884,7.382733755,4.8334,78.417,135.0058196,171.4032589,270.0116393,14.21113891,135.0058196,5.55E-16,2.92E-17,-66.74198905,3000107.283,157900.3833,28.33690135,261,0,0,0,18,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15,0,0,0,0,15,0,0,0,0,0,0,0,0,0,0,0,0,0,15,1,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,36.02444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.459583333,0,0,0,0,6.459583333,0,0,0,0,0,0,0,0,0,0,0,0,0,32.02472222,0.308888889,0,0,0,3.999722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.333240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,0,0,0,0.422222222,0,0,0,0,0,0,0,0,0,0,0,0,0,2.066018519,0.308888889,0,0,0,1.333240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.199074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.44,0,0,0,0,0.44,0,0,0,0,0,0,0,0,0,0,0,0,0,2.199074074,0.308888889,0,0,0,1.333240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,36.33333333,1.912280702,0.677916667,2.199074074,0.1875,0.308888889,10.50661417,1.024444444,0.199074074,4.049444444,1.024444444,0.199074074,4.049444444,9.5,0.5,0,0,0.51714,0.7,0.4434,0.4434,0.7,0.07375,0.07375,0,0,0.71429,0,0,0,0.21053,0,28.5,1.5,10.5,0.55263,18,0.94737,7.5,0.39474,0,0,10.68095,0.56216,28.22213,17.54118,0.92322,3.58054,0.18845,9.44947,5.86893,0.30889,-0.03547,-0.00187,0.22253,0.01171,0.542857143,99,0,0,0,0,0,0,0.052631579,0.994693795,1.644665721,2.060787404,2.884470873,3.292032659,3.292032659,34.81428284,57.56330022,72.12755914,100.9564806,115.2211431,115.2211431,0.193924529,0.32064242,0.401769097,0.56235362,0.641811467,0.641811467,4.134589222,3.484617296,3.068495613,2.244812144,1.837250358,1.837250358,0.180081948,0.297754553,0.373090303,0.522212097,0.595998141,0.595998141,6.261684854,12.3664673,17.3599275,22.67004678,23.08079775,23.08079775,62.80321351,61.50189579,57.26165174,45.75299948,43.95267533,43.95267533,13.95918367,7.135802469,3.555555556,0,6,0,3.55,2.0729,0,0,0,0,26.95889105,21.40626088,0,4.242640687,0,0,0,0,0,0,0,0,0,0,0,0.003,0.247,0.264,1.366,1.897,9.486,27,36,48,60,54,60,60,48,36,469,3.433987204,3.979681654,4.535284059,5.114244277,5.668371163,5.668371163,6.123862485,6.528597333,6.710675351,6.828323062,8.247764344,8.140891525,0.5,3,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.142857143,3,0.142857143,1,4,8,1,1.5,1.333333333,1.3125,0.573333333,0.041666667,0.235102041,0.145833333,0,0,0,0.071428571,0.049382716,0.048611111,0.021234568,0.001388889,0.009795918,0.012152778,0,0,0,0.213994552,72.46988319,95.22230165,144.9397664,7.628408757,72.46988319,0,0,0,3000103.228,157900.1699,28.33689879,0,243.6826622,5.247927513,4.574710979,5.407171771,6.259581464,7.115582126,7.982416347,8.847216104,9.719504616,10.58766967,11.46206366,111.9559167,3.761200116,0,5.017279837,0,6.502790046,0,8.085486772,0,9.717338681,9.93914423,244.1252005,6.975005729,39.36252464,2.071711823,0,0,0,666,27,5.7,96,1.255951609,2.244630441,3.078845583,3.943259195,4.687202839,5.26288762,6.080485449,6.96442809,7.8740363,8.657944809,118.2248582,169.2045683,173.0987804,215.5903771,282.8977481,250.411962,176.8095304,102.3952817,36.77780067,8.797026035,384.8037916,589.3862284,649.6996937,796.9078967,1025.201337,1000.813434,846.5015042,657.8572361,461.8040823,269.1213437,9.269047548,16.43092518,22.21704888,28.3033053,33.82729648,37.80955835,43.02775475,48.47257545,53.93712889,58.16809051,2.704529655,4.299993454,4.958998132,6.082332232,7.711302309,7.868156297,7.234867928,6.305707015,5.236538033,3.849433992,171.7911799,315.4087305,455.0924529,594.8055416,693.6626891,788.7783014,957.7749139,1156.811015,1373.551279,1601.006825,3.684279721,5.891391338,6.941000977,8.69593217,11.59584807,12.65685255,12.39297629,11.55844069,10.46868183,8.657944809,0.55282332,0.885300754,1.030353993,1.264661291,1.598339819,1.64356528,1.534516625,1.364375579,1.163324542,0.886573548,328.9991019,331.3054142,20.1085463,181.9304487,-183.205797,-10.93199358,147.0686532,514.5112112,31.04053988,0.643922634,0.648436588,0.039356789,0.356077366,-0.3585735,-0.021396284,168.0953632,169.2737264,10.27405053,92.95364238,-93.60525551,-5.585478565,0.061625291,0.061311209,0.02317572,0.829106575,510.9295505,0,1,0,1617.966857,40.22395874,11.7396876,1776.144118,42.14432486,12.11042545,3304.288257,57.48293884,14.89450161,1.087098425,1.087098425,2062.917303,1217.828171,1149.869124,1.693931337,1.794045305,1.05910155,6.054797642,5.364171757,9.21640279,0.718140881,5.691921292,5.727353208,8.543920761,19.47915639,5.020034907,15.13591215,11.59798827,18.46152106,18.49547315,18.38039993,22.14562279,8.814443625,13.01981587,5.635087562,2.521152379,3.068454233,0.244953178,4.00E-04,2.20E-27,2.79E-72,6.94E-139,3.34E-227,0,0,0,0,0,0,0,0,0.481587061,5.692549094,0.727264749,8.603413666,2.078614017,5.745050109,3.845450581,7.875380724,9.326009284,2.635684597,7.407322795,0.668418047,2.271904574,0.197406053,0.135930216,0.021619467,0.001725225,2.82E-06,1.55E-29,1.96E-74,4.89E-141,2.35E-229,0,0,0,0,0,0,0,0,1.545127358,5.699653356,2.319411616,9.590040102,2.640620259,7.441254133,5.241239375,9.493750001,10.6874668,5.185279309,10.40871594,1.999262462,3.592751297,0.818789374,0.488648984,0.225227973,0.017978177,2.94E-05,1.62E-28,2.05E-73,5.10E-140,2.45E-228,0,0,0,0,0,0,0,0,5.372948364,5.725222525,8.064188132,18.37703478,4.826378414,14.48294417,11.05734601,17.62153097,17.75362425,17.18153457,21.24087539,8.19832285,12.05298695,5.129359048,2.327670865,2.733943052,0.218248872,3.57E-04,1.96E-27,2.49E-72,6.19E-139,2.97E-227,0,0,0,0,0,0,0,0,2.27521443,5.704530209,3.413379841,10.63353374,3.037821819,8.671166844,6.254830642,10.76578559,11.77356123,7.13272197,12.4711591,3.011403231,4.758692172,1.390414131,0.770613032,0.489205338,0.039051004,6.38E-05,3.51E-28,4.45E-73,1.11E-139,5.32E-228,0,0,0,0,0,0,0,0,6.872934474,5.735242167,10.32152016,24.05522118,5.752482275,17.6421969,13.6747238,21.78953039,21.44715094,23.08606677,25.49831013,11.22899099,16.95022356,7.70381667,3.291414519,4.475025724,0.35724119,5.84E-04,3.21E-27,4.07E-72,1.01E-138,4.87E-227,0,0,0,0,0,0,0,0,3.063801521,4.707935062,4.501801665,10.22080935,3.174514189,9.874021712,7.343118551,12.05348521,13.12033569,9.285439616,14.972188,4.224195883,6.367646224,2.101980229,1.109781757,0.839133896,0.066985344,1.09E-04,6.02E-28,7.63E-73,1.90E-139,9.13E-228,0,0,0,0,0,0,0,0,5.409727317,5.007577054,1.160348104,0.467255977,0.432520933,0.469462021,0.398398341,0.321295917,11.57765248,39.17732576,82.18837485,0.349665365,1.189156278,4.364226629,4.085829509,0.624847665,0.480911613,0.45023392,0.316899808,0.28672124,0.102841986,9.074903803,23.11148379,43.32834995,0.396718299,0.706463035,4.679366938,4.369425611,0.792365461,0.475489463,0.443995067,0.359217183,0.318627849,0.161173305,9.841158011,27.61609643,53.65807414,0.379226795,0.839018337,5.370797695,4.974125494,1.141333357,0.467584689,0.433050183,0.463103127,0.39389256,0.312129648,11.48625655,38.52202765,80.49902963,0.350952307,1.169125336,4.854699686,4.524859282,0.88307005,0.473046398,0.440906446,0.384014532,0.336923754,0.196936915,10.26262902,30.24964054,59.91052182,0.370929265,0.917875201,5.538334019,5.117704923,1.222750944,0.466237224,0.430827127,0.490874614,0.413500643,0.351965473,11.87878989,41.37324095,87.90914468,0.345596527,1.25634073,5.379540731,4.982611849,1.140342524,0.467684679,0.433176611,0.464659412,0.395342777,0.311805168,11.5024951,38.62056661,80.68898905,0.351291935,1.171807357 +UMLYSI0010,L,dibenzosuberane,C1CC2=CC=CC=C2CC3=CC=CC=C31,aromatic,C15H14,833-48-7,70029,PubChem,,1067.2,0,2.6054,6.78810916,71.363,35.735102,12,12,29,15,14,0,15,0,0,0,0,0,0,0,0,0,2178.186711,2621.989289,3660.121439,4101.047185,3094.251401,2317.556485,1293.477871,611.436171,79.754976,6787.925948,8806.099959,13046.76523,15488.22464,13539.09631,10339.27701,6017.247528,3156.617034,906.0059092,207.166236,227.83562,392.880956,540.40282,578.927204,541.580116,323.585404,182.734572,89.73504,48.05808067,63.00092034,96.65777939,118.7104014,110.650959,87.45459369,51.5786942,27.95783648,9.793556194,4490.76247,4299.219722,7758.454482,11143.93733,12336.88836,12402.02281,7399.856627,4188.357604,2213.15885,63.86111111,80.13888889,125.4444444,157.1666667,158.3333333,137.3333333,86,49,19,75.10988659,84.58029965,67.78002665,54.68062913,38.20063458,30.09813617,28.11908415,23.51677581,6.134998154,234.066412,284.0677406,241.6067636,206.5096619,167.1493372,134.2763248,130.8097289,121.4083475,69.69276225,7.14366331,7.349536129,7.275573259,7.205370933,7.147249432,7.033508,7.034465304,7.028252769,6.902695385,1.657175195,2.032287753,1.789958878,1.582805353,1.366061222,1.135773944,1.121275961,1.075301403,0.753350476,154.8538783,138.6845071,143.675083,148.5858311,152.3072637,161.0652313,160.8664484,161.0906771,170.2429885,2.20210728,2.585125448,2.323045267,2.095555556,1.95473251,1.783549784,1.869565217,1.884615385,1.461538462,0.073995717,0.005055906,-0.023226365,-0.021332949,-0.023445629,0.02546345,-0.001300734,-0.013679253,0.004022345,876.6848928,56.43029195,-100.336514,-179.943533,-703.6511914,310.6545154,83.06193483,-47.07322823,45.34577032,1630.232994,104.9345375,-186.5800323,-334.6126835,-1308.469437,577.6753367,154.4572147,-87.534678,84.32239623,0.171736552,0.011054307,-0.019655234,-0.035249703,-0.137840438,0.060855087,0.016271263,-0.009221322,0.008882925,7.287899994,0.469106206,-0.834099556,-1.495874383,-5.849467187,2.582477535,0.690495615,-0.391320739,0.376960345,39.58798843,2.548192359,-4.530842026,-8.125613389,-31.7743986,14.02805896,3.750783141,-2.125660463,2.047654574,5.423371648,0.652794293,-0.91095257,-2.107378782,-3.518727705,2.436220108,1.25181662,-0.814440481,-0.229059321,0.002551576,1.63E-04,-4.30E-04,-2.84E-04,-2.89E-04,3.31E-04,-2.83E-05,-5.26E-04,3.09E-04,30.23051354,1.820331998,-1.858083593,-2.399247107,-8.687051746,4.034474226,1.805694235,-1.810508778,3.488136178,56.21493082,3.384985082,-3.455185783,-4.461502446,-16.15394367,7.502277101,3.357765537,-3.366718384,6.486338172,0.00592195,3.57E-04,-3.64E-04,-4.70E-04,-0.001701734,7.90E-04,3.54E-04,-3.55E-04,6.83E-04,0.251306896,0.015132458,-0.015446288,-0.019944992,-0.072215644,0.033538669,0.015010774,-0.015050798,0.02899695,1.365103049,0.082199754,-0.083904482,-0.108341512,-0.392276526,0.182182584,0.081538764,-0.081756172,0.15751189,0.187012815,0.02105788,-0.016869492,-0.028098384,-0.043441083,0.031639222,0.027213405,-0.031324634,-0.017619948,0.063918808,-0.168569464,-0.111475916,-0.113440542,0.12960386,-0.011082101,-0.206196104,0.121262738,0.060215054,-0.061463845,-0.079365079,-0.287360376,0.133457019,0.059730849,-0.05989011,0.115384615,0.060215054,-0.061463845,-0.079365079,-0.287360376,0.133457019,0.059730849,-0.05989011,0.115384615,0.060215054,-0.061463845,-0.079365079,-0.287360376,0.133457019,0.059730849,-0.05989011,0.115384615,0.060215054,-0.061463845,-0.079365079,-0.287360376,0.133457019,0.059730849,-0.05989011,0.115384615,0.060215054,-0.061463845,-0.079365079,-0.287360376,0.133457019,0.059730849,-0.05989011,0.115384615,0.112601269,-0.090205005,-0.15024844,-0.232289336,0.169182107,0.145516256,-0.167499932,-0.094217863,0.84482417,1.038927097,0.980021483,0.975651349,0.805652573,1.126259229,1.54199825,1.326453066,0.87311828,1.002469136,1.031111111,1.241152263,0.853679654,0.924637681,1.041025641,0.892307692,0.87311828,1.002469136,1.031111111,1.241152263,0.853679654,0.924637681,1.041025641,0.892307692,0.87311828,1.002469136,1.031111111,1.241152263,0.853679654,0.924637681,1.041025641,0.892307692,0.87311828,1.002469136,1.031111111,1.241152263,0.853679654,0.924637681,1.041025641,0.892307692,0.87311828,1.002469136,1.031111111,1.241152263,0.853679654,0.924637681,1.041025641,0.892307692,0.837342327,0.974671952,1.00197339,1.141986211,0.828810892,0.963356012,1.389995381,1.191424612,72.50498513,36.25249256,54.89516936,72.50498513,4.833665675,36.25249256,-1.42E-14,1.67E-16,1.11E-17,-54.49700319,2000068.961,133337.9307,21.76303833,72.50498513,36.25249256,54.89516936,72.50498513,4.833665675,36.25249256,-1.42E-14,1.67E-16,1.11E-17,-54.49700319,2000068.961,133337.9307,21.76303833,72.50498513,36.25249256,54.89516936,72.50498513,4.833665675,36.25249256,-1.42E-14,1.67E-16,1.11E-17,-54.49700319,2000068.961,133337.9307,21.76303833,72.50498513,36.25249256,54.89516936,72.50498513,4.833665675,36.25249256,-1.42E-14,1.67E-16,1.11E-17,-54.49700319,2000068.961,133337.9307,21.76303833,72.50498513,36.25249256,54.89516936,72.50498513,4.833665675,36.25249256,-1.42E-14,1.67E-16,1.11E-17,-54.49700319,2000068.961,133337.9307,21.76303833,72.50498513,36.25249256,54.89516936,72.50498513,4.833665675,36.25249256,-1.42E-14,1.67E-16,1.11E-17,-54.49700319,2000068.961,133337.9307,21.76303833,84.6050657,41.55843431,64.73362694,84.53395459,5.635596973,41.55843431,-0.213333333,0.002219276,1.48E-04,-9.165861642,127.0274006,8.468493373,7.266604224,0,11.85,12.15018815,-0.201110113,0.099450991,7.109953125,9.92638017,17,31,25,19,5,6,0,0,0,12,15.304898,3.923927451,3.691961975,3.103439291,2.95291649,2.654006651,2.517745465,2.339217433,1.678625769,2.005202477,1.970754173,1.52000456,1.351799487,1.066134414,0.999522518,0.776097476,0.680732032,3.933550099,3.702261183,3.129637946,2.975863617,2.675433096,2.538109432,2.376666463,1.740617462,1.979221898,1.940055932,1.455594544,1.287357683,0.994592357,0.922194898,0.656680479,0.592181139,3.977513536,3.749788018,3.25015712,3.083607506,2.781094397,2.638053027,2.548294495,2.01546795,1.90963574,1.858058099,1.2712002,1.111756509,0.804355242,0.712853983,0.348308875,0.286129927,3.940719113,3.709959929,3.14924146,2.993134407,2.691824595,2.553631938,2.404672555,1.786627222,1.96333801,1.921304211,1.414928075,1.247469953,0.95068989,0.874292667,0.578711902,0.537299557,4.000101313,3.774466678,3.311576007,3.140104503,2.839332411,2.693804123,2.634995092,2.146774539,1.889687553,1.834649335,1.216002327,1.061857574,0.752058534,0.65496961,0.27689341,0.166869895,3.940967207,3.768276775,3.134071431,2.995875317,2.751838153,2.588985859,2.453452319,1.826099508,1.951184167,1.916231726,1.393422341,1.21218271,0.882857282,0.770386223,0.511192026,0.484484638,0,0,0,8,4,0,3,0,0,0,0,0,0.166666667,0.23570226,0,0,0,0.055555556,0.07856742,0.666666667,0,0.166666667,0,0.40824829,0,0.083333333,0,1.842365912,2.927607692,4.014474452,1.006479295,1.390019852,1.634147518,10.08757567,7.43265299,6.422285252,5.646740313,4.766617186,4.062145655,2.776145694,1.981760185,0.672505045,0.437214882,0.279229794,0.182152913,0.11916543,0.078118186,0.050475376,0.034168279,8.740122497,5.568914101,4.214197352,3.281351188,2.4222037,1.782032857,1.131091307,0.683362797,0.582674833,0.327583182,0.183225972,0.105850038,0.060555092,0.034269863,0.020565296,0.011782117,18.79279463,28.21485798,27.07843137,27.32,20.58988144,215.1393425,0.648027401,0.972926137,0.933739013,0.942068966,0.709995912,7.418598018,3.1884,62.077,167.2220733,186.8102851,341.566994,22.77113293,167.2220733,0.072523386,0.004834892,-3.935769306,127.4274236,8.495161572,7.271320463,192,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,2,0,0,8,0,0,0,0,0,0,0,0,0,0,3,0,0,8,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.68777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.23875,0,0.890555556,0,0,3.23875,0,0,0,0,0,0,0,0,0,0,3.478888889,0,0,17.63935185,0,0,0,0,6.048425926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.502268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.390972222,0,0.445277778,0,0,0.390972222,0,0,0,0,0,0,0,0,0,0,1.103518519,0,0,2.145601852,0,0,0,0,1.502268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.265092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.417430556,0,0.445277778,0,0,0.417430556,0,0,0,0,0,0,0,0,0,0,1.187685185,0,0,2.265092593,0,0,0,0,1.521944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,27.16666667,1.811111111,0.518611111,2.265092593,0.131944444,1.103518519,8.160675833,0.396481481,0.265092593,3.278703704,0.396481481,0.265092593,3.278703704,7.5,0.5,0,0,0.5069,0.7,0.44634,0.44634,0.7,0.06056,0.06056,0,0,0.71429,0,0,0,0.26667,0,20.5,1.36667,8.5,0.56667,12,0.8,3.5,0.23333,0,0,9.57034,0.63802,20.14135,10.571,0.70473,3.47202,0.23147,7.43263,3.96061,0.26404,-0.01863,-0.00124,0.23937,0.01596,0.517241379,79,0,0,0,0,0,0,0.2,0.999142104,2.323161167,2.926946512,3.340739616,3.616601685,3.754532719,28.97512102,67.37167385,84.88144886,96.88144886,104.8814489,108.8814489,0.205670237,0.478215368,0.602502668,0.687680668,0.744466001,0.772858668,3.858838891,2.534819828,1.931034483,1.517241379,1.24137931,1.103448276,0.191794039,0.445951044,0.561852906,0.641284101,0.69423823,0.720715295,6.414487362,17.07453679,22.23153296,24.16472608,25.95890884,26.09791919,51.37568102,45.18309507,35.71466456,31.69264802,28.10482265,27.59227617,10.17301038,4.472589792,2.097814776,0,6,0,3.11,1.6383,0,0,0,0,17.47893819,18.03605461,0,3.086163688,0,0,0,0,0,0,0,0,0,0,0,0.003,0.159,0.16,1.081,1.512,7.875,23,31,40,52,55,58,62,64,62,479,3.17805383,3.761200116,4.324132656,4.850075229,5.391921547,5.481680048,5.816180668,6.218973556,6.586085444,6.852688426,8.08498137,6.77319285,0.428571429,3,0,0,0,2,1,0,0,0,0,0,0,3,0,0,0,0,0,0,0,2,0,1,6,0,0,2,1,0,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,7,0.75,2,1.555555556,0.5,0.784444444,0.166666667,0.068662132,0.014739229,0,0,0,0.117647059,0.06763285,0.02,0.046143791,0.012820513,0.009808876,0.004913076,0,0,0,0.278966165,45.584976,66.88562982,91.16995201,6.0779968,45.584976,0,0,0,2000075.333,133338.3555,21.76304311,0,193.3080998,4.906890596,4.394449155,5.241747015,6.102558595,6.965080346,7.831617276,8.6983474,9.566545205,10.43455688,11.30327793,102.5381798,3.555348061,0,4.844187086,0,6.343880434,2.708050201,7.934155234,5.293304825,9.564863001,9.798127037,194.1095504,6.693432774,31.54267634,2.102845089,0,0,0,334,25,4.252,80,1.253993549,2.197950074,3.032506095,3.946733586,4.85656483,5.883170188,6.764919081,7.71502488,8.7439463,0,114.8874444,160.5139301,175.4249797,162.8148577,155.0454125,172.488216,162.3158375,47.96376039,8.884409053,0,376.836769,559.215281,653.9773097,693.8594231,679.1173727,789.824407,834.5452655,542.4489192,271.7945921,0,9.244507397,16.03594929,21.91440208,28.28474266,34.22654931,41.43119998,47.59171582,53.27721592,58.74588843,0,2.660341375,4.091658768,4.970063467,5.599266189,5.685772518,6.720508631,7.36728339,5.850241248,3.887671364,0,172.1515102,312.8670179,445.9620521,595.6326381,777.2451294,943.0739931,1086.20781,1311.616833,1616.910019,0,3.332787545,5.238309016,6.501275141,7.921308429,8.839111394,11.14352787,12.88008605,11.33279736,8.7439463,0,0.544267016,0.843107966,1.031731351,1.17481534,1.203290793,1.425927325,1.571859335,1.28782404,0.895380101,0,297.0327421,206.1739732,15.58967761,152.1485758,-105.6081433,-8.148456558,144.8841663,311.7821165,23.73813417,0.661275815,0.45899944,0.03470687,0.338724185,-0.235112501,-0.018140684,133.4215586,92.60949699,7.002591934,68.34229777,-47.43720497,-3.660134455,0.08939026,0.088580086,1.728331196,1.434647987,449.1813179,0,1,0,1296.286793,36.00398302,10.90352772,1433.603797,37.86296075,11.27568793,2470.025934,49.69935547,13.51762843,2.095756841,2.095756841,1308.551966,1092.340307,371.0718062,1.197934341,3.526411719,2.943743742,5.119146934,5.272302247,8.909945637,0.6899535,4.558012141,4.501400878,12.0383703,19.22112292,10.29832738,8.997787579,12.49074758,15.97402818,12.94215857,9.047008671,9.447681095,1.659574479,5.716782311,0.199808931,4.109639466,0.162298352,0.444452509,7.58E-16,2.49E-52,1.58E-110,1.93E-190,4.56E-292,0,0,0,0,0,0,0,0,0.382648573,4.501177853,0.970031157,9.818069401,5.045278337,2.797021208,2.023553646,2.699197829,2.845965297,2.161258343,0.845308242,0.524701735,1.338062015,0.009159681,0.194017096,0.001143081,0.003130315,5.34E-18,1.75E-54,1.11E-112,1.36E-192,3.21E-294,0,0,0,0,0,0,0,0,1.234929293,4.501193152,3.15752653,10.83202378,6.084914295,3.906095694,4.00628297,4.880908642,3.957600116,3.043821817,2.094385345,0.601053259,2.042440105,0.034582286,0.725727641,0.011911781,0.0326203,5.56E-17,1.83E-53,1.16E-111,1.42E-191,3.34E-293,0,0,0,0,0,0,0,0,4.302399375,4.501376532,11.33537808,18.3251709,9.965198427,8.56276914,11.7955271,14.97457603,11.98827657,8.440460288,8.741743043,1.535158317,5.381712475,0.183364154,3.775277027,0.144604909,0.395999184,6.75E-16,2.22E-52,1.41E-110,1.72E-190,4.06E-292,0,0,0,0,0,0,0,0,1.819993288,4.501212629,4.680489052,11.79690644,6.808278333,4.713948473,5.413045182,6.535348477,5.002543699,3.804953098,3.102332051,0.69957803,2.582213947,0.05604045,1.170171827,0.02587398,0.07085565,1.21E-16,3.97E-53,2.52E-111,3.08E-191,7.27E-293,0,0,0,0,0,0,0,0,5.50443116,4.501503161,14.67006984,22.90211092,11.54485797,10.67138118,15.12663313,19.8866204,16.85523027,11.50284665,12.26504153,2.182611844,7.033477328,0.266116336,5.455102004,0.236696893,0.648192214,1.10E-15,3.63E-52,2.30E-110,2.82E-190,6.65E-292,0,0,0,0,0,0,0,0,2.524150945,4.14799688,6.205066109,12.2502252,6.796767566,5.512272724,7.236023522,8.561461674,6.398003929,5.329458974,4.628710317,0.979395408,3.704513868,0.091657144,1.907484783,0.049479342,0.135498714,2.31E-16,7.59E-53,4.82E-111,5.89E-191,1.39E-292,0,0,0,0,0,0,0,0,5.982642641,2.678348339,0.790046092,0.633014408,0.283392004,0.497169275,0.563878609,0.396974178,9.451037072,22.86618306,44.97660347,0.449521613,1.458022061,5.228458886,1.519867612,0.399980366,0.731426194,0.212619246,0.379722713,0.181649324,0.10248803,7.148306865,10.64576343,20.9725404,0.597139292,0.663860067,5.465986876,1.88464274,0.523011282,0.694213382,0.239361023,0.415003929,0.279237925,0.174768091,7.873640897,14.1458947,27.407301,0.541320073,0.869009946,5.956168802,2.637677176,0.776375411,0.635648674,0.281495716,0.492778207,0.546887439,0.383429189,9.370221388,22.38250121,43.94993006,0.453473011,1.423094834,5.594090702,2.081424513,0.589279109,0.676857824,0.251842264,0.434683447,0.340576162,0.2215743,8.264794324,16.16669828,31.29286852,0.515286736,0.996833908,6.069323814,2.811512327,0.834799868,0.6246965,0.289380162,0.511683465,0.621326229,0.442952977,9.715636009,24.47769956,48.43834276,0.437044751,1.575962671,5.984395222,2.63667141,0.77630855,0.636815611,0.280575305,0.497459494,0.546476414,0.383338397,9.397375182,22.47149152,44.1181491,0.455223417,1.427274304 +UMLYSI0011,L,1-methylfluorene,CC1=CC=CC2=C1CC3=CC=CC=C32,aromatic,C14H12,1730-37-6,15604,PubChem,,1014.9,0,2.927,8.567329,65.9142,32.641516,12,12,26,14,12,0,14,0,0,0,0,0,0,0,0,0,2031.890462,2453.510992,3576.387887,3566.317798,2788.53088,1680.894945,973.623005,180.675936,9.144576,6302.241558,8153.109824,12274.69266,13144.36228,11499.66842,7844.341751,4723.15428,1948.233818,279.7536999,186.188792,206.05984,349.775996,427.247896,451.983616,409.04442,247.23986,173.549952,60.466176,44.37995486,57.98493172,89.30758213,99.21228244,91.60753133,66.95407449,40.66151525,20.48036229,4.001516144,3994.13281,3866.18027,6871.5143,8613.985621,9479.830274,9248.261025,5545.599255,4177.80984,1664.258868,60.13888889,75.77777778,116.6111111,134.7222222,133.1666667,108,69.33333333,39,9,78.14963315,87.62539257,74.50808098,60.44606437,44.26239492,28.98094733,27.81780014,7.22703744,1.016064,242.3939061,291.1824937,255.7227638,222.7858014,182.5344194,135.2472716,134.9472652,77.92935272,31.08374443,7.161107385,7.35928,7.286999917,7.241489763,7.174343111,7.05249,7.063996,6.94199808,6.718464,1.706921341,2.070890419,1.860574628,1.681564109,1.454087799,1.154380595,1.161757579,0.819214492,0.444612905,153.6204927,138.0778668,143.1565479,145.9997563,150.4734964,159.4527763,158.445693,167.1123936,184.917652,2.313034188,2.706349206,2.429398148,2.283427495,2.113756614,1.862068966,1.980952381,1.56,1,0.062016205,-3.75E-04,-0.017564006,-0.00975565,-0.00948734,0.006982648,-0.01468093,-0.007896343,0.021768924,782.2726735,51.57841804,101.7241022,-219.9246436,-479.9658345,-3.581834586,-121.7823759,-35.10197894,315.9178105,1454.669441,95.91227081,189.1603119,-408.9592658,-892.5169645,-6.660574362,-226.4595283,-65.27362875,587.4626587,0.153241846,0.010103858,0.019927053,-0.043081728,-0.094022012,-7.02E-04,-0.023856331,-0.006876237,0.06188613,6.503049225,0.428772476,0.845634606,-1.828238198,-3.9899661,-0.029775866,-1.012379458,-0.291803491,2.626231418,35.3246666,2.329098897,4.593500602,-9.931018907,-21.67355918,-0.161742979,-5.499261284,-1.585081194,14.26573074,5.086538462,-0.261998685,-0.023011177,-1.304281723,-1.908407298,1.38387574,-1.100468442,-1.193252794,1.864275148,0.002385239,-1.34E-05,-3.66E-04,-1.65E-04,-1.51E-04,1.20E-04,-4.19E-04,-3.16E-04,0.002418769,30.08741052,1.842086358,2.11925213,-3.727536332,-7.618505309,-0.061755769,-3.479496455,-1.404079158,35.10197894,55.94882464,3.425438243,3.940839831,-6.93151298,-14.16693594,-0.114837489,-6.470272237,-2.61094515,65.27362875,0.005893917,3.61E-04,4.15E-04,-7.30E-04,-0.001492413,-1.21E-05,-6.82E-04,-2.75E-04,0.006876237,0.250117278,0.015313303,0.017617388,-0.030987088,-0.063332795,-5.13E-04,-0.028925127,-0.01167214,0.291803491,1.358641023,0.083182103,0.095697929,-0.168322354,-0.344024749,-0.002788672,-0.157121751,-0.063403248,1.585081194,0.195636095,-0.009357096,-4.79E-04,-0.02210647,-0.030292179,0.023859927,-0.031441955,-0.047730112,0.207141683,-0.005620953,-0.153408883,-0.069322204,-0.063135277,0.050473137,-0.175854583,-0.132420173,1.014057599,0.06122449,0.070436508,-0.123890234,-0.253212396,-0.002052545,-0.115646259,-0.046666667,1.166666667,0.06122449,0.070436508,-0.123890234,-0.253212396,-0.002052545,-0.115646259,-0.046666667,1.166666667,0.06122449,0.070436508,-0.123890234,-0.253212396,-0.002052545,-0.115646259,-0.046666667,1.166666667,0.06122449,0.070436508,-0.123890234,-0.253212396,-0.002052545,-0.115646259,-0.046666667,1.166666667,0.06122449,0.070436508,-0.123890234,-0.253212396,-0.002052545,-0.115646259,-0.046666667,1.166666667,-0.047829088,-0.002450466,-0.11299791,-0.154839419,0.121960759,-0.160716536,-0.243973955,1.058811174,0.89721146,0.988629278,0.96452522,0.959018035,0.904550641,1.371847756,1.328852002,0.155426766,0.829081633,0.846354167,1.049233253,1.197562358,1.000615764,1.105442177,1.083333333,0,0.829081633,0.846354167,1.049233253,1.197562358,1.000615764,1.105442177,1.083333333,0,0.829081633,0.846354167,1.049233253,1.197562358,1.000615764,1.105442177,1.083333333,0,0.829081633,0.846354167,1.049233253,1.197562358,1.000615764,1.105442177,1.083333333,0,0.829081633,0.846354167,1.049233253,1.197562358,1.000615764,1.105442177,1.083333333,0,0.975185285,0.841909963,0.969565573,1.075954431,0.88741861,1.326251988,1.376181474,0,59.99711524,29.99855762,44.2193109,59.99711524,4.285508232,29.99855762,-7.11E-15,0.003908911,2.79E-04,-7.762294957,104.4634668,7.461676199,6.508372374,59.99711524,29.99855762,44.2193109,59.99711524,4.285508232,29.99855762,-7.11E-15,0.003908911,2.79E-04,-7.762294957,104.4634668,7.461676199,6.508372374,59.99711524,29.99855762,44.2193109,59.99711524,4.285508232,29.99855762,-7.11E-15,0.003908911,2.79E-04,-7.762294957,104.4634668,7.461676199,6.508372374,59.99711524,29.99855762,44.2193109,59.99711524,4.285508232,29.99855762,-7.11E-15,0.003908911,2.79E-04,-7.762294957,104.4634668,7.461676199,6.508372374,59.99711524,29.99855762,44.2193109,59.99711524,4.285508232,29.99855762,-7.11E-15,0.003908911,2.79E-04,-7.762294957,104.4634668,7.461676199,6.508372374,59.99711524,29.99855762,44.2193109,59.99711524,4.285508232,29.99855762,-7.11E-15,0.003908911,2.79E-04,-7.762294957,104.4634668,7.461676199,6.508372374,68.52842181,33.7472449,51.19501184,68.46510468,4.89036462,33.7472449,-0.146825397,0.019264786,0.001376056,-5.529266945,92.15589228,6.582563735,6.332874274,0,11.85,12.15017245,-0.185238525,0.117531044,6.560209318,10.14921171,16,28,22,16,4,6,0,0,0,12,13.118484,4.004108499,3.593072558,2.967814535,2.914860672,2.647215285,2.175628833,2.168202813,1.759230268,1.982714908,1.917889772,1.400844295,1.346441402,1.058216047,0.926152162,0.734594831,0.4524304,4.010738133,3.604971663,2.989593298,2.939324582,2.672546183,2.226199685,2.187426748,1.818062185,1.960176048,1.887674536,1.321218297,1.277448336,0.996452316,0.852292796,0.641277151,0.331668043,4.041377054,3.660318337,3.093481522,3.062877699,2.790551548,2.438586149,2.289295428,2.070931139,1.902592253,1.80724771,1.122118467,1.067276127,0.828921072,0.643419527,0.357153798,0.046679276,4.015694141,3.613889103,3.006059282,2.958207622,2.691622401,2.262970619,2.202408921,1.861301152,1.946687289,1.869237308,1.273020144,1.232718294,0.958783146,0.805813823,0.581126901,0.252712022,4.057367938,3.6893237,3.149825805,3.131047945,2.850791686,2.53604471,2.352446239,2.185759341,1.886767236,1.784401365,1.07009095,1.006144702,0.778347152,0.582199815,0.264004135,0.171294768,3.992564909,3.659293142,3.016520886,2.996036824,2.752986334,2.322479738,2.201786531,1.875448674,1.942329507,1.864389111,1.228543013,1.186925538,0.909614589,0.733170086,0.501796847,0.185382199,0,0,0,7,5,1,1,0,0,0,0,0.07856742,0.363402303,0.671838943,0,0,0.044194174,0.15047768,0.248141952,0.810617218,0,0.275377538,0,0.479125555,0,0.12684267,0,2.292513715,3.994726583,5.724014632,1.174964742,1.726591415,2.097209203,9.543605595,6.860173345,6.179990342,5.570498068,4.906587877,4.077294197,2.734720112,1.914370173,0.681686114,0.428760834,0.268695232,0.168802972,0.106664954,0.070298176,0.046351188,0.030876938,8.248558666,5.028473986,3.934948401,3.085006396,2.316926815,1.627059264,0.951377083,0.554516849,0.589182762,0.314279624,0.171084713,0.093485042,0.050367974,0.028052746,0.016125035,0.00894382,17.25096682,25.32702112,24.35294118,24.56,18.79132695,192.1110874,0.663498724,0.974116197,0.936651584,0.944615385,0.722743344,7.388887978,3.09822,57.303,137.1396079,161.0443518,274.2792159,19.59137256,137.1396079,0.006415451,4.58E-04,-7.06866437,244.5906658,17.47076185,7.699420486,155,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,7,0,0,0,0,0,0,0,0,1,0,1,0,0,7,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.52490741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.962226474,0,0,0,0,2.962226474,0,0,0,0,0,0,0,0,2.19912037,0,1.109305556,0,0,15.27861111,0,0,0,0,7.246296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.415462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0,0.406597222,0,0,0,0,0,0,0,0,2.19912037,0,1.109305556,0,0,2.121296296,0,0,0,0,1.415462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.230925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.434897959,0,0,0,0,0.434897959,0,0,0,0,0,0,0,0,2.19912037,0,1.109305556,0,0,2.230925926,0,0,0,0,1.508055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,25.83333333,1.845238095,0.518611111,2.230925926,0.159722222,1.109305556,7.502269259,0.390694444,0.230925926,2.955462963,0.390694444,0.230925926,2.955462963,7,0.5,0,0,0.51538,0.7,0.44737,0.44737,0.7,0.06802,0.06802,0,0,0.71429,0,0,0.07143,0.35714,0,20,1.42857,8,0.57143,12,0.85714,4,0.28571,0,0,8.31505,0.59393,18.5444,10.22934,0.73067,2.93451,0.20961,6.86014,3.92563,0.2804,0.05386,0.00385,0.31186,0.02228,0.5,74,0,0,0,0,0,0,0.142857143,0.995727452,2.482459069,3.271160508,4.10390991,4.363713276,4.286790199,25.88891375,64.54393579,85.05017321,106.7016577,113.4565452,111.4565452,0.211837086,0.52813337,0.695926489,0.873090638,0.928362778,0.911997697,3.704712266,2.217980649,1.42927921,0.596529808,0.336726442,0.413649519,0.195721813,0.487956206,0.642984649,0.806671231,0.857738604,0.842618479,6.289566003,19.15916595,26.57111037,31.95728396,31.37356837,31.29604337,46.57293998,39.31701828,27.35703192,19.05080011,19.34562865,19.55335478,9.2421875,3.538752363,1.454545455,0,12,0,3,1.4974,0,2.002825496,2.006853904,0,9.68753633,16.50655332,0,6.083643419,0,0,0,0,0,0,0,0,0,0,0,0.003,0.193,0.184,1.097,1.76,7.593,23,33,46,58,59,62,65,46,36,458,3.135494216,3.784189634,4.424846632,5.051457289,5.626721429,5.850764665,6.25039745,6.640447566,6.715288685,6.840579951,8.289190196,8.689103439,0.333333333,3,0,0,1,2,0,0,0,0,0,0,0,3,0,0,0,0,0,2,0,0,0,1,6,0,1,2,0,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.0625,0,4,6,0.5,2,1.777777778,1.326388889,0.670555556,0.180555556,0.08,0,0,0,0,0.125,0.077294686,0.060290404,0.041909722,0.020061728,0.016,0,0,0,0,0.340556541,39.13996973,56.48006334,78.27993947,5.591424248,39.13996973,0.01767,0.001262143,-5.6502418,133.5331044,9.538078883,6.852089188,0,176.0121152,4.807354922,4.369447852,5.252273428,6.154858094,7.058758153,7.969357742,8.879193928,9.791941278,10.70358149,11.61689802,101.79631,3.496507561,0,4.828313737,2.397895273,6.381816017,4.844187086,8.034306936,7.065613364,9.734654614,10.00075037,180.0939004,6.926688476,29.30167359,2.092976685,0,0,0,267,22,4.164,78,1.316333792,2.351084244,3.311880346,4.30149182,5.202122662,6.371109934,7.358376237,8.610305812,0,0,127.2573038,186.1448454,212.2643695,205.7704964,167.0751964,188.9950557,55.41877985,8.748621765,0,0,411.1277539,629.383366,770.0524169,825.8214809,750.6987201,896.1847963,590.3248339,267.6405453,0,0,9.725389003,17.18336642,24.04678733,30.93934276,36.79687778,45.09940604,51.16243442,57.84802963,0,0,2.877004715,4.536552876,5.758818977,6.492908443,6.294485688,7.632566476,6.163160268,3.828253079,0,0,179.3832584,333.0931178,479.0779501,641.7760446,821.6255147,1002.553928,1223.255742,1592.197534,0,0,3.647205714,5.821999161,7.709729366,9.322129523,10.00457944,12.91176586,11.68098871,8.610305812,0,0,0.587572758,0.932223675,1.191623887,1.356078827,1.331409059,1.617927279,1.348289203,0.881695315,0,0,322.5837079,190.2642177,15.37181072,227.1536095,-133.9782598,-9.018888902,95.43009837,324.2424774,24.39069962,0.586796089,0.34610024,0.027962102,0.413203911,-0.243713235,-0.016405815,177.3363022,104.5953406,8.450457987,124.8748159,-73.6528491,-4.95801979,0.105746244,0.104195702,1.513542311,1.861230529,549.7373174,0,1,0,1121.788443,33.49311037,10.39051293,1239.519062,35.20680419,10.74198158,2089.996824,45.71648307,12.78542617,1.582300217,1.582300217,1364.263164,1041.546268,329.4179069,1.309844033,4.141435954,3.16177793,5.205043743,5.346863887,9.323581507,0.743747682,3.918578123,4.601957169,3.739381896,12.26611723,3.976250692,15.86567062,6.644723062,6.521208555,15.2013068,3.797617846,9.072501134,8.499864561,6.559466438,1.670899317,2.09945157,0.741941341,0.207404294,0.044622701,1.35E-20,7.86E-61,8.85E-123,1.92E-206,8.044223143267E-312,0,0,0,0,0,0,0,0.329008592,4.601853495,0.893763959,6.793998575,1.740130096,1.169592699,1.222534413,1.302941126,4.316078553,0.913361834,1.784165909,2.31319303,1.389381567,0.140233139,0.073198331,0.007055638,0.001460765,3.14E-04,9.48E-23,5.54E-63,6.23E-125,1.35E-208,5.6656121336E-314,0,0,0,0,0,0,0,1.06171626,4.601860727,1.327994068,7.257990472,1.924305851,3.4059755,2.329241977,2.033367442,6.486618561,1.452422183,2.960526608,3.017995861,2.307229396,0.441366708,0.304158879,0.059156139,0.015222302,0.003275054,9.88E-22,5.77E-62,6.49E-124,1.41E-207,5.90400466424E-313,0,0,0,0,0,0,0,3.698827248,4.601945894,3.513305489,11.70011388,3.743038961,14.69592163,6.312753411,6.083332404,14.51674893,3.603471402,8.516171315,7.923708886,6.194322839,1.573192624,1.910793485,0.662316499,0.184793492,0.039758023,1.20E-20,7.00E-61,7.88E-123,1.71E-206,7.167257996137E-312,0,0,0,0,0,0,0,1.564697104,4.601869828,1.669614287,7.770390884,2.131577589,5.16785145,3.088984808,2.63417146,7.991878199,1.837220578,3.860505799,3.667511189,2.978122839,0.65144305,0.516935929,0.123991621,0.033064874,0.007113854,2.15E-21,1.25E-61,1.41E-123,3.06E-207,1.282428706295E-312,0,0,0,0,0,0,0,4.7322167,4.60200451,4.635335241,14.62406079,4.949090654,20.5033639,7.873888081,8.276921099,17.75654939,4.536409105,11.25739933,10.85725628,7.96664989,2.037205387,2.871329971,1.076082487,0.302479671,0.065078015,1.96E-20,1.15E-60,1.29E-122,2.80E-206,1.173174344571E-311,0,0,0,0,0,0,0,2.219856147,4.554454242,1.88503919,8.554009711,2.449964124,7.203897179,3.832380364,3.287898506,9.591935313,2.370132056,4.825755421,5.009341974,4.049370127,0.930036688,0.839738759,0.224894993,0.060913411,0.013105422,3.95E-21,2.31E-61,2.60E-123,5.64E-207,2.362540624303E-312,0,0,0,0,0,0,0,7.476127651,3.144094474,0.127852118,0.695578341,0.292526308,0.544046272,0.535516028,0.153846956,10.74807424,24.86346952,38.6167911,0.543367512,1.233409256,5.791769796,1.828230297,0.018591352,0.758224843,0.239341286,0.33020078,0.184802664,0.003253067,7.638591444,10.73035511,18.5658046,0.637337264,0.51825651,6.305053666,2.237946345,0.052204773,0.733554793,0.260371498,0.389398124,0.276195502,0.025650284,8.595204785,14.55635719,23.88819073,0.600332189,0.691243911,7.414270396,3.097120472,0.123888751,0.697139207,0.291211946,0.535180862,0.520284432,0.144456387,10.63527962,24.26513172,37.74525494,0.54570881,1.199921681,6.588381735,2.460630532,0.070632507,0.722438417,0.269816489,0.424287496,0.332898016,0.046954947,9.119644774,16.85072768,27.11543651,0.583657626,0.804140459,7.680080488,3.298336813,0.140896703,0.690697329,0.296631322,0.573837145,0.586812483,0.186842173,11.11931401,26.87831501,41.56675276,0.536045994,1.347491801,7.434758723,3.097819969,0.12380336,0.697681322,0.290700911,0.538160324,0.520626817,0.14425732,10.65638205,24.33551267,37.84327727,0.546521984,1.20304446 +UMLYSI0012,L,fluorene,C1C2=CC=CC=C2C3=CC=CC=C31,aromatic,C13H10,86-73-7,6853,PubChem,,988.8,0,2.4806,6.15337636,61.6322,29.54793,12,12,23,13,10,0,13,0,0,0,0,0,0,0,0,0,1885.594213,2285.032695,3272.704365,3086.113147,2246.774725,1287.381487,611.436171,79.754976,3.048192,5816.557167,7500.11969,11219.67101,11445.94886,9196.488169,5830.745061,3156.617034,906.0059092,93.25123329,165.211348,184.28406,307.42194,382.874284,365.30338,283.27462,182.734572,89.73504,20.155392,40.70182905,52.9689431,81.2823991,86.83601811,73.21893254,48.91101677,27.95783648,9.793556194,1.333838715,3497.503149,3433.140818,5910.050084,7806.030014,7721.344277,6290.350715,4188.357604,2213.15885,554.7529561,55.36111111,69.66666667,107,120.3333333,108,80,49,19,3,81.98235709,91.4013078,77.9215325,58.22854994,44.05440637,32.18453717,23.51677581,6.134998154,1.016064,252.8937899,300.0047876,267.135024,215.9612992,180.3232974,145.7686265,121.4083475,69.69276225,31.08374443,7.183102087,7.3713624,7.31957,7.224043094,7.162811373,7.0818655,7.028252769,6.902695385,6.718464,1.769644741,2.118757724,1.935295217,1.638415436,1.435665344,1.222775419,1.075301403,0.753350476,0.444612905,152.0653543,137.3256327,140.7154782,147.2835852,151.3989074,157.2587679,161.0906771,170.2429885,184.917652,2.407004831,2.786666667,2.547619048,2.270440252,2.117647059,2,1.884615385,1.461538462,1,0.063730005,-0.001039228,-0.025016497,-0.003929838,-0.004946607,-6.90E-04,-0.01180239,0.00411332,0.011446633,684.2861378,45.77164802,-75.75207747,-166.1510823,-285.6150836,-68.88633026,0.22885824,92.22987075,116.0311277,1272.459293,85.114334,-140.8642228,-308.9650324,-531.1134442,-128.0970727,0.42557167,171.505383,215.7648367,0.134046957,0.008966352,-0.014839312,-0.032547856,-0.055950034,-0.013494359,4.48E-05,0.018067198,0.022729701,5.688485088,0.380500675,-0.629728617,-1.38121745,-2.374324211,-0.572653516,0.001902503,0.76670886,0.964569211,30.89994128,2.066885705,-3.420695841,-7.502795107,-12.8973668,-3.110662985,0.010334429,4.164774695,5.239555261,4.606280193,0.052352447,-1.355912623,-0.88621088,-0.797258979,0.406952321,-0.581495484,0.151281243,0.707151859,0.00277087,-4.16E-05,-5.96E-04,-7.41E-05,-9.70E-05,-1.73E-05,-4.54E-04,3.16E-04,0.003815544,29.75157121,1.830865921,-1.803620892,-3.134926081,-5.600295757,-1.722158257,0.00880224,7.094605442,38.67704257,55.3243171,3.40457336,-3.353910066,-5.829528914,-10.4139891,-3.202426817,0.016368141,13.19272177,71.92161223,0.005828129,3.59E-04,-3.53E-04,-6.14E-04,-0.001097059,-3.37E-04,1.72E-06,0.001389784,0.007576567,0.247325439,0.015220027,-0.014993538,-0.026060707,-0.046555377,-0.014316338,7.32E-05,0.058977605,0.32152307,1.343475708,0.082675428,-0.081445139,-0.141562172,-0.252889545,-0.077766575,3.97E-04,0.320367284,1.74651842,0.200273052,0.002094098,-0.032283634,-0.01672096,-0.015632529,0.010173808,-0.022365211,0.011637019,0.235717286,-0.01500219,-0.214961702,-0.026759786,-0.035004277,-0.006229059,-0.163825119,0.114191306,1.377020496,0.061538462,-0.060622711,-0.105370102,-0.188235294,-0.057884615,2.96E-04,0.238461538,1.3,0.061538462,-0.060622711,-0.105370102,-0.188235294,-0.057884615,2.96E-04,0.238461538,1.3,0.061538462,-0.060622711,-0.105370102,-0.188235294,-0.057884615,2.96E-04,0.238461538,1.3,0.061538462,-0.060622711,-0.105370102,-0.188235294,-0.057884615,2.96E-04,0.238461538,1.3,0.061538462,-0.060622711,-0.105370102,-0.188235294,-0.057884615,2.96E-04,0.238461538,1.3,0.010456214,-0.161198092,-0.083490813,-0.078056078,0.050799685,-0.111673591,0.058105764,1.176979549,0.873678609,1.023841656,0.882318287,0.940483393,1.04495882,1.381908961,1.207782857,9.92E-09,0.778461538,0.926739927,1.028156749,1.14479638,1.070384615,1.047928994,0.898224852,0,0.778461538,0.926739927,1.028156749,1.14479638,1.070384615,1.047928994,0.898224852,0,0.778461538,0.926739927,1.028156749,1.14479638,1.070384615,1.047928994,0.898224852,0,0.778461538,0.926739927,1.028156749,1.14479638,1.070384615,1.047928994,0.898224852,0,0.778461538,0.926739927,1.028156749,1.14479638,1.070384615,1.047928994,0.898224852,0,0.859695857,0.979224411,0.948709323,1.006724452,1.024868904,1.285869872,1.102174176,0,51.80311025,25.90155512,38.66642942,51.80311025,3.984854634,25.90155512,-3.55E-15,2.78E-17,2.14E-18,-49.56002341,2000057.793,153850.5995,18.86129263,51.80311025,25.90155512,38.66642942,51.80311025,3.984854634,25.90155512,-3.55E-15,2.78E-17,2.14E-18,-49.56002341,2000057.793,153850.5995,18.86129263,51.80311025,25.90155512,38.66642942,51.80311025,3.984854634,25.90155512,-3.55E-15,2.78E-17,2.14E-18,-49.56002341,2000057.793,153850.5995,18.86129263,51.80311025,25.90155512,38.66642942,51.80311025,3.984854634,25.90155512,-3.55E-15,2.78E-17,2.14E-18,-49.56002341,2000057.793,153850.5995,18.86129263,51.80311025,25.90155512,38.66642942,51.80311025,3.984854634,25.90155512,-3.55E-15,2.78E-17,2.14E-18,-49.56002341,2000057.793,153850.5995,18.86129263,51.80311025,25.90155512,38.66642942,51.80311025,3.984854634,25.90155512,-3.55E-15,2.78E-17,2.14E-18,-49.56002341,2000057.793,153850.5995,18.86129263,58.93973865,28.8395878,44.04205791,58.88714168,4.529780129,28.8395878,-0.136752137,0.004996645,3.84E-04,-6.88868505,101.0869161,7.77591662,6.000774912,0,11.85,12.15015697,-0.196923981,0.10407193,7.03440625,9.835831894,15,25,19,13,3,6,0,0,0,12,10.93207,3.991852756,3.563362852,2.967749058,2.767198464,2.54922698,2.168381414,1.889484443,0.92028003,1.970191467,1.903034249,1.351043479,1.10773206,0.93627897,0.918933347,0.535498452,0.246648516,3.998899901,3.575940571,2.989445253,2.78545305,2.573435245,2.188502034,1.944467959,1.020582851,1.947622718,1.872090641,1.28629521,1.050475609,0.854841649,0.848877139,0.411530436,0.082108603,4.031294943,3.633784886,3.092318439,2.873100865,2.691550726,2.293771684,2.190835736,1.453635178,1.888674933,1.788683594,1.109566082,0.906618098,0.67810919,0.604872102,0.027612479,0.462713594,4.004159486,3.585334134,3.00582645,2.799283056,2.59189862,2.204149289,1.985417964,1.094750659,1.933973329,1.853111815,1.246188464,1.016276819,0.81490988,0.794015927,0.330747604,0.028396802,4.048084643,3.663655696,3.146851456,2.920460882,2.755739661,2.35664139,2.309713559,1.650885248,1.872183082,1.764682828,1.059275849,0.868549956,0.627939805,0.535502834,0.096556889,0.651038085,3.984166268,3.640753542,3.003445447,2.834428868,2.656911017,2.208267116,1.987424554,1.18687451,1.921093499,1.848082727,1.234589429,0.97266424,0.762800173,0.710370769,0.253832496,0.149032766,0,0,0,8,4,0,1,0,0,0,0,0.07856742,0.388888889,0.606913276,0,0,0.044194174,0.157617628,0.214375401,0.60549886,0,0.191638319,0,0.348461713,0,0.079758898,0,1.783239899,3.269075925,4.513257301,0.864057262,1.336464453,1.533396345,8.673362107,6.449489743,5.652484893,5.091184757,4.574167096,3.820564031,2.413763491,1.759537963,0.667181701,0.429965983,0.269165947,0.169706159,0.10890874,0.073472385,0.04827527,0.032584036,7.325908935,4.61180732,3.491070806,2.705801478,2.079608951,1.449690283,0.787854673,0.478144606,0.563531457,0.307453821,0.166241467,0.090193383,0.049514499,0.027878659,0.015757093,0.00885453,15.70913902,22.43918427,21.62745098,21.8,16.99277246,169.0828323,0.683006044,0.975616707,0.940323956,0.947826087,0.738816194,7.351427493,3.0702,53.663,125.5083182,142.0722096,251.0166364,19.30897203,125.5083182,2.78E-16,2.14E-17,-46.56666279,2000058.531,153850.6562,18.8612931,144,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,1,0,0,8,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.06314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.461944444,0,0,0,0,3.461944444,0,0,0,0,0,0,0,0,0,0,1.103518519,0,0,17.30981481,0,0,0,0,5.753333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.414907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,0,0,0,0.422222222,0,0,0,0,0,0,0,0,0,0,1.103518519,0,0,2.112037037,0,0,0,0,1.414907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.217592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.44,0,0,0,0,0.44,0,0,0,0,0,0,0,0,0,0,1.103518519,0,0,2.217592593,0,0,0,0,1.461759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,24.16666667,1.858974359,0.518611111,2.217592593,0.1875,1.103518519,6.858197222,0.396481481,0.217592593,2.61962963,0.396481481,0.217592593,2.61962963,6.5,0.5,0,0,0.52609,0.7,0.44857,0.44857,0.7,0.07752,0.07752,0,0,0.71429,0,0,0,0.30769,0,19.5,1.5,7.5,0.57692,12,0.92308,4.5,0.34615,0,0,6.52507,0.50193,16.13596,9.61089,0.7393,2.58035,0.19849,6.44947,3.86911,0.29762,-0.03547,-0.00273,0.22253,0.01712,0.565217391,69,0,0,0,0,0,0,0.076923077,0.987692509,2.175735869,2.697475,3.393127173,3.567040217,3.567040217,22.7169277,50.04192499,62.04192499,78.04192499,82.04192499,82.04192499,0.218343977,0.480978461,0.596316581,0.750100741,0.788546781,0.788546781,3.535869447,2.347826087,1.826086957,1.130434783,0.956521739,0.956521739,0.199364831,0.439170298,0.544482865,0.684899621,0.72000381,0.72000381,6.109453737,16.91573061,23.17660018,25.78937845,25.96465237,25.96465237,41.51344936,38.82271086,31.27249914,26.83452296,26.30458837,26.30458837,8.32,3.292517007,1.333333333,0,12,0,2.89,1.3565,0,0,0,0,12.46043676,15.72444837,0,4.242640687,0,0,0,0,0,0,0,0,0,0,0,0.003,0.197,0.196,1.121,1.752,7.117,21,30,42,52,50,54,56,36,30,399,3.091042453,3.713572067,4.350277936,4.981892825,5.546641216,5.719491768,6.145793782,6.528597333,6.545102683,6.710675351,8.166078653,8.8183349,0.333333333,3,0,0,1,2,0,0,0,0,0,0,0,3,0,0,0,0,0,2,0,0,0,1,6,0,1,2,0,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,6,0.5,1.5,1.333333333,1.138888889,0.274444444,0.118333333,0.024444444,0,0,0,0,0.1,0.063492063,0.05994152,0.021111111,0.016904762,0.008148148,0,0,0,0,0.269597605,34.52164002,50.23705167,69.04328004,5.311021541,34.52164002,0,0,0,2000065.426,153851.1866,18.86129759,0,158.7161305,4.700439718,4.290459441,5.164785974,6.056784013,6.951772164,7.852827812,8.753529337,9.656883442,10.5593222,11.46322038,98.74958476,3.433987204,0,4.744932128,2.397895273,6.282266747,4.844187086,7.918264686,7.05012252,9.601774167,9.878989921,166.0782503,7.220793492,27.45172866,2.111671435,0,0,0,219,19,3.772,72,1.324893847,2.388121149,3.332000807,4.404601492,5.449756798,6.371733485,7.463758218,8.649955691,0,0,132.8058181,195.0864796,204.6953458,206.6063698,185.1936865,155.986475,46.82057603,8.78890858,0,0,424.8316704,659.764393,750.0357313,828.075799,821.1534163,796.4461226,527.9418596,268.873012,0,0,9.803739168,17.51376083,24.13935426,31.61767319,38.65011733,44.85541199,51.55713488,58.11441591,0,0,2.955561462,4.742995569,5.644929507,6.523690617,6.823351521,7.00728507,5.684974182,3.845881927,0,0,179.6092729,333.8506141,485.801416,662.0596276,853.0914651,1020.84256,1267.698519,1599.529497,0,0,3.772562668,6.147124685,7.714999783,9.523207784,11.07651272,12.22388805,11.00147665,8.649955691,0,0,0.602914189,0.973874898,1.169593751,1.363331161,1.440591939,1.494110832,1.251078897,0.885755463,0,0,295.5063208,167.9353154,16.1194359,259.3255799,-147.3739139,-10.0605388,36.18074084,315.3092293,26.1799747,0.532605138,0.302677829,0.029052828,0.467394862,-0.265619035,-0.018132589,163.9563336,93.17587025,8.943577261,143.8821044,-81.76774874,-5.581907862,0.109749601,0.108140715,1.570842223,2.088140116,554.8319007,0,1,0,1057.531672,32.51971206,10.1882078,1156.100532,34.00147837,10.49538885,1910.770674,43.71236295,12.40898299,1.581161882,1.581161882,1138.353103,875.6463267,266.0366098,1.300014708,4.278934032,3.291450479,4.930466812,5.346855077,9.202308143,0.721069304,3.442435345,3.602795595,3.622141143,10.99086906,1.744713769,12.12671246,4.29517225,4.684133382,12.97520015,3.676684983,8.551209565,7.294475037,6.873538816,1.572506756,3.135290153,0.409921513,0.016691453,1.42E-04,2.32E-28,7.32E-74,4.46E-141,5.24E-230,0,0,0,0,0,0,0,0,0.289049228,3.602752597,0.891830192,5.287863257,1.706368265,0.858459262,1.001646143,1.208078587,3.505851149,0.911613573,1.509754395,2.198459578,1.439631089,0.131969594,0.073920733,0.002887135,1.18E-04,9.98E-07,1.63E-30,5.16E-76,3.14E-143,3.69E-232,0,0,0,0,0,0,0,0,0.932722562,3.602755671,1.316542584,5.681888554,1.714195399,2.66203821,1.673813251,1.688272989,5.336216208,1.441243058,2.54238604,2.656744136,2.459332375,0.426013937,0.363296018,0.030085982,0.001225058,1.04E-05,1.70E-29,5.37E-75,3.27E-142,3.84E-231,0,0,0,0,0,0,0,0,3.249387307,3.602790946,3.408083168,10.36930642,1.742366284,11.26122866,4.093505396,4.390198023,12.35922133,3.49510509,7.976974532,6.776636306,6.509225542,1.484318102,2.829181049,0.365232705,0.014871784,1.26E-04,2.07E-28,6.52E-74,3.97E-141,4.67E-230,0,0,0,0,0,0,0,0,1.374584127,3.602759475,1.647466688,6.181027193,1.719568482,4.047563235,2.135268091,2.086007925,6.623148001,1.815144158,3.371413004,3.144126462,3.185892358,0.627866161,0.661564571,0.065350714,0.00266099,2.26E-05,3.70E-29,1.17E-74,7.11E-142,8.35E-231,0,0,0,0,0,0,0,0,4.15720534,3.602815102,4.46796459,13.6015581,1.753405446,15.53064612,5.041898742,5.864565022,15.29707664,4.362964094,10.83989334,9.445542249,8.258366874,1.899029647,4.403442807,0.597831922,0.024342915,2.07E-04,3.38E-28,1.07E-73,6.50E-141,7.64E-230,0,0,0,0,0,0,0,0,1.911611797,3.576647396,1.842586723,6.740857332,1.776312374,5.577006466,2.603641517,2.472216859,8.120878075,2.427183411,4.442832519,4.195920055,4.365022061,0.910071919,1.102374503,0.118618997,0.004830002,4.10E-05,6.71E-29,2.12E-74,1.29E-141,1.52E-230,0,0,0,0,0,0,0,0,6.706147617,2.934151084,0.071816504,0.690493005,0.302112467,0.526662498,0.493797494,0.086965713,9.712115205,20.36918285,31.49442066,0.535739508,1.107425705,5.262306507,1.592389849,0.010017903,0.766573277,0.23196739,0.324295706,0.145439809,0.001692206,6.864714259,8.448313146,15.39697386,0.649859916,0.471427721,5.69380664,1.993387213,0.028486869,0.737952599,0.258355327,0.379658568,0.227912554,0.013683243,7.715680722,11.56894543,19.60795102,0.606928898,0.621254366,6.651632668,2.883491099,0.069483198,0.692546055,0.300219583,0.518134775,0.476893371,0.081406512,9.604606966,19.84245449,30.77974389,0.538819083,1.076434658,5.935047514,2.217573103,0.038812365,0.724543255,0.27071858,0.412511122,0.282059553,0.025400356,8.191432982,13.47782422,22.18008233,0.586814882,0.719971031,6.886764391,3.101995336,0.079547111,0.684004223,0.308095034,0.555413575,0.551906835,0.106696052,10.06830684,22.15728799,33.92493676,0.526006334,1.214016462,6.67263866,2.878663896,0.069411634,0.693569992,0.299215197,0.521412516,0.475298015,0.081238908,9.62071419,19.87125552,30.82524808,0.540354987,1.077949439 +UMLYSI0013,L,"9,10-dihydroanthracene",C1C2=CC=CC=C2CC3=CC=CC=C31,aromatic,C14H12,613-31-0,11940,PubChem,,988.8,0,2.9368,8.62479424,66.2332,32.641516,12,12,26,14,12,0,14,0,0,0,0,0,0,0,0,0,2031.890462,2453.510992,3466.412902,3471.498093,2516.173982,1755.56473,1069.458774,439.909682,54.524736,6302.241558,8153.109824,12133.21812,13210.87559,10891.70621,7672.690188,4687.724717,2410.375667,645.4489321,186.188792,206.05984,350.151448,454.896372,470.894072,394.034536,226.309848,140.8034,68.781312,44.37995486,57.98493172,88.97008925,101.3221726,88.92172726,64.39554735,38.99623801,21.60800915,7.121854669,3994.13281,3866.18027,6834.252283,9284.599108,10119.03472,9011.073051,5059.90342,3200.565197,1721.996103,59.61111111,74.88888889,116.2222222,137.1388889,130,102.6666667,64.66666667,38,14,78.14963315,87.62539257,72.21693546,55.10314433,38.12384821,31.34937018,33.42058669,21.9954841,5.4524736,242.3939061,291.1824937,252.7753775,209.696438,165.0258517,137.0123248,146.4913974,120.5187833,64.54489321,7.161107385,7.35928,7.294821833,7.220577333,7.134758667,7.036331,7.07218275,7.04017,6.8781312,1.706921341,2.070890419,1.853543526,1.608288454,1.347298898,1.149920488,1.218632438,1.080400457,0.712185467,153.6204927,138.0778668,142.3802559,147.374589,153.3187078,160.9120188,158.1219819,160.0282598,172.1996103,2.292735043,2.674603175,2.421296296,2.17680776,1.96969697,1.833333333,2.020833333,1.9,1.4,0.070727376,0.004571817,-0.026391937,-0.025241365,-0.010375276,0.027225084,-0.006368063,-0.014185804,0.007771588,782.2726735,51.57841804,-84.53129622,-330.9615157,-421.2237473,308.0377744,24.35647518,-98.85863457,90.26223156,1454.669441,95.91227081,-157.1895549,-615.4370711,-783.283545,572.8093951,45.29190566,-183.8318524,167.8464739,0.153241846,0.010103858,-0.016559101,-0.064833089,-0.08251484,0.060342485,0.004771266,-0.019365728,0.017681751,6.503049225,0.428772476,-0.702710447,-2.751290057,-3.50164189,2.560724512,0.202475892,-0.821813913,0.750351834,35.3246666,2.329098897,-3.817134303,-14.94505125,-19.02097432,13.90989619,1.099852257,-4.464106219,4.075923069,5.042735043,0.372781065,-1.309664694,-2.513806706,-1.907626561,2.890861275,0.477317554,-1.152531229,0.21860618,0.002720284,1.63E-04,-5.50E-04,-4.01E-04,-1.57E-04,4.86E-04,-1.99E-04,-7.09E-04,7.77E-04,30.08741052,1.842086358,-1.761068671,-5.253357393,-6.382177989,5.500674542,0.761139849,-4.942931728,9.026223156,55.94882464,3.425438243,-3.274782395,-9.768842398,-11.8679325,10.2287392,1.415372052,-9.19159262,16.78464739,0.005893917,3.61E-04,-3.45E-04,-0.001029097,-0.001250225,0.001077544,1.49E-04,-9.68E-04,0.001768175,0.250117278,0.015313303,-0.014639801,-0.043671271,-0.05305518,0.045727223,0.006327372,-0.041090696,0.075035183,1.358641023,0.083182103,-0.079523631,-0.237223036,-0.288196581,0.248391003,0.034370383,-0.223205311,0.407592307,0.193951348,0.013313609,-0.027284681,-0.039901694,-0.028903433,0.051622523,0.014916174,-0.057626561,0.021860618,0.060022853,-0.202123045,-0.147284852,-0.057788512,0.178717471,-0.073154859,-0.260741266,0.285690345,0.06122449,-0.058531746,-0.174603175,-0.212121212,0.182823129,0.025297619,-0.164285714,0.3,0.06122449,-0.058531746,-0.174603175,-0.212121212,0.182823129,0.025297619,-0.164285714,0.3,0.06122449,-0.058531746,-0.174603175,-0.212121212,0.182823129,0.025297619,-0.164285714,0.3,0.06122449,-0.058531746,-0.174603175,-0.212121212,0.182823129,0.025297619,-0.164285714,0.3,0.06122449,-0.058531746,-0.174603175,-0.212121212,0.182823129,0.025297619,-0.164285714,0.3,0.068644068,-0.140677966,-0.205730428,-0.14902414,0.266162228,0.07690678,-0.297118644,0.112711864,0.828547803,1.060150966,1.021097826,0.93286028,0.773372511,1.228329535,1.583131895,1.073743002,0.829081633,0.967261905,1.105442177,1.172438672,0.829081633,0.967261905,1.160714286,0.773809524,0.829081633,0.967261905,1.105442177,1.172438672,0.829081633,0.967261905,1.160714286,0.773809524,0.829081633,0.967261905,1.105442177,1.172438672,0.829081633,0.967261905,1.160714286,0.773809524,0.829081633,0.967261905,1.105442177,1.172438672,0.829081633,0.967261905,1.160714286,0.773809524,0.829081633,0.967261905,1.105442177,1.172438672,0.829081633,0.967261905,1.160714286,0.773809524,0.84594431,0.998411017,1.062348668,1.068310221,0.752496973,1.067266949,1.487288136,0.991525424,63.60274646,31.80137323,48.55839238,63.60274646,4.543053319,31.80137323,0,5.55E-16,3.97E-17,-49.17830772,4000044.832,285717.488,21.28254258,63.60274646,31.80137323,48.55839238,63.60274646,4.543053319,31.80137323,0,5.55E-16,3.97E-17,-49.17830772,4000044.832,285717.488,21.28254258,63.60274646,31.80137323,48.55839238,63.60274646,4.543053319,31.80137323,0,5.55E-16,3.97E-17,-49.17830772,4000044.832,285717.488,21.28254258,63.60274646,31.80137323,48.55839238,63.60274646,4.543053319,31.80137323,0,5.55E-16,3.97E-17,-49.17830772,4000044.832,285717.488,21.28254258,63.60274646,31.80137323,48.55839238,63.60274646,4.543053319,31.80137323,0,5.55E-16,3.97E-17,-49.17830772,4000044.832,285717.488,21.28254258,63.60274646,31.80137323,48.55839238,63.60274646,4.543053319,31.80137323,0,5.55E-16,3.97E-17,-49.17830772,4000044.832,285717.488,21.28254258,74.29372146,36.2859948,57.03715791,74.2429278,5.303066272,36.2859948,-0.177777778,0.001589006,1.14E-04,-9.02250516,154.749182,11.053513,7.058527876,0,11.85,12.15017245,-0.199061613,0.101685268,7.072179687,9.576356717,16,28,22,16,4,6,0,0,0,12,13.118484,3.948247322,3.647740396,2.98824441,2.910856209,2.567540613,2.423381032,2.136710507,1.528165519,2.095642013,1.833527276,1.363820435,1.329814384,1.015736734,0.878860046,0.754944655,0.52913969,3.957111185,3.658614878,3.009747912,2.934649382,2.592031282,2.438213691,2.18665494,1.601405975,2.071353085,1.802441821,1.301734766,1.260728423,0.940486562,0.775104636,0.688259368,0.399141529,3.997522452,3.708823372,3.11098221,3.047406311,2.710351745,2.51383724,2.411004782,1.919839847,2.005922138,1.719371685,1.132508423,1.07148119,0.736009322,0.531297147,0.455958843,0.018623718,3.963710158,3.66674555,3.025945004,2.952616104,2.610646428,2.449650396,2.223836961,1.655440048,2.056470966,1.78344064,1.263318541,1.217848939,0.893867634,0.707640191,0.649425939,0.313277989,4.018239832,3.734898189,3.164257034,3.107014524,2.774072243,2.558025104,2.520390318,2.068300166,1.987033769,1.695701441,1.084291257,1.017588818,0.678744284,0.492896113,0.353855657,0.159486741,3.952472653,3.722783511,3.043242474,2.945413129,2.691475414,2.452472714,2.244215592,1.704377057,2.076120939,1.72269619,1.230241667,1.21938664,0.798075895,0.62596453,0.621143068,0.22419557,0,0,0,8,4,0,2,0,0,0,0,0,0.222222222,0.392837101,0,0,0,0.086805556,0.150736204,0.666666667,0,0.166666667,0,0.40824829,0,0.083333333,0,1.799113742,2.91638319,4.324775672,0.964203801,1.319205555,1.675174625,9.380468889,6.93265299,6.080637243,5.343990882,4.587856261,4.052465954,2.572882561,1.869246011,0.670033492,0.433290812,0.276392602,0.178133029,0.114696407,0.075045666,0.049478511,0.033379393,8.033015716,5.068914101,3.890974047,2.998576894,2.215180218,1.686169495,0.941778166,0.574522451,0.573786837,0.316807131,0.176862457,0.099952563,0.055379505,0.031225361,0.018111119,0.010259329,17.25096682,25.32702112,24.35294118,24.56,18.79132695,192.1110874,0.663498724,0.974116197,0.936651584,0.944615385,0.722743344,7.388887978,2.8064,56.454,145.1285003,163.2259899,293.8785699,20.99132642,145.1285003,0.067178317,0.004798451,-3.780566644,85.31611484,6.094008203,6.224908699,180,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,2,0,0,8,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.45962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.323888889,0,0,0,0,3.323888889,0,0,0,0,0,0,0,0,0,0,2.207037037,0,0,17.49222222,0,0,0,0,5.967407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.491851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0,0.406597222,0,0,0,0,0,0,0,0,0,0,1.103518519,0,0,2.131712963,0,0,0,0,1.491851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.241342593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.424375,0,0,0,0,0.424375,0,0,0,0,0,0,0,0,0,0,1.103518519,0,0,2.241342593,0,0,0,0,1.491851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,25.66666667,1.833333333,0.518611111,2.241342593,0.159722222,1.103518519,7.487447778,0.396481481,0.241342593,2.984444444,0.396481481,0.241342593,2.984444444,7,0.5,0,0,0.51538,0.7,0.44737,0.44737,0.7,0.06802,0.06802,0,0,0.71429,0,0,0,0.28571,0,20,1.42857,8,0.57143,12,0.85714,4,0.28571,0,0,7.95001,0.56786,17.99559,10.04559,0.71754,2.97202,0.21229,6.93263,3.96061,0.2829,-0.01863,-0.00133,0.23937,0.0171,0.538461538,74,0,0,0,0,0,0,0.142857143,0.995727452,2.16197818,2.469670487,2.777362795,2.777362795,2.777362795,25.88891375,56.21143267,64.21143267,72.21143267,72.21143267,72.21143267,0.211837086,0.459952326,0.52541265,0.590872974,0.590872974,0.590872974,3.704712266,2.538461538,2.230769231,1.923076923,1.923076923,1.923076923,0.195721813,0.42496196,0.485442462,0.545922964,0.545922964,0.545922964,6.289566003,15.6257739,19.31808159,19.6281816,19.6281816,19.6281816,46.57293998,44.34833828,39.17586037,38.31378071,38.31378071,38.31378071,9.2421875,3.867768595,1.76,0,6,0,3,1.4974,0,0,0,0,14.73270019,16.82742808,0,3.301927249,0,0,0,0,0,0,0,0,0,0,0,0.003,0.159,0.16,1.081,1.512,7.376,22,30,40,54,52,56,60,60,36,440,3.135494216,3.737669618,4.310799125,4.873287103,5.457988495,5.55971963,5.941978829,6.377152028,6.710675351,6.682539269,8.119110144,7.629616477,0.428571429,3,0,0,0,3,0,0,0,0,0,0,0,3,0,0,0,0,0,0,2,0,0,1,6,0,0,3,0,0,0,2,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,7,0.75,2,1.333333333,0.5,0.888888889,0.111111111,0.078367347,0,0,0,0,0.125,0.060606061,0.023809524,0.063492063,0.011111111,0.013061224,0,0,0,0,0.297079984,40.82916629,60.37317004,81.65833259,5.832738042,40.82916629,5.27E-16,3.77E-17,-49.25011833,4000047.953,285717.711,21.28254367,0,176.0121152,4.807354922,4.343805422,5.198497031,6.070737728,6.944087208,7.82284529,8.701679071,9.582248697,10.46278901,11.34390308,100.4705925,3.496507561,0,4.795790546,0,6.329720906,0,7.9686657,0,9.657139344,9.865110483,180.0939004,6.926688476,29.51003759,2.107859828,0,0,0,279,21,3.872,76,1.285725106,2.284649279,3.180468104,4.142698796,5.214761433,6.369064499,7.539163642,8.527433373,9.610752804,0,122.8982074,176.8457028,187.001215,174.645693,177.8481619,227.2116559,166.5726286,46.65879933,9.765139937,0,398.2967926,606.3264694,698.4244333,731.8693584,753.7028938,978.8689954,915.1201713,551.6331497,298.7381839,0,9.494764955,16.71112336,23.02787875,29.66841275,36.77431737,45.16670951,53.10941295,58.65867892,64.56949672,0,2.792358161,4.395270273,5.301037599,5.877236382,6.230360812,8.056231737,8.19839442,6.082956815,4.273064722,0,175.4909663,322.351298,464.3076384,627.1232602,833.3630807,997.9174293,1203.887421,1467.952869,1777.197843,0,3.525051534,5.644419081,7.074231376,8.467080803,9.833888904,13.26725043,14.40441166,11.95312078,9.610752804,0,0.570493586,0.903998623,1.099942451,1.232343859,1.315831151,1.698445083,1.752267561,1.344583765,0.984141087,0,285.99384,183.0045292,15.63784998,144.2235156,-92.28715056,-8.088519971,141.7703244,275.2916798,23.72636995,0.664765929,0.42537691,0.036348719,0.335234071,-0.214512849,-0.018801008,123.0395136,78.73172463,6.727674465,62.0474595,-39.70353387,-3.479821673,0.096965084,0.096071192,2.205128129,1.78861518,430.2173556,0,1,0,1166.760875,34.1578816,10.52754935,1284.703807,35.84276505,10.87095431,2131.133628,46.16420289,12.86876571,1.790835253,1.790835253,1417.139397,1181.187561,242.9650198,1.199758145,5.832688993,4.861553988,5.084515721,5.286487052,9.691199946,0.833202248,4.000493403,3.229307844,7.436039947,17.14370662,10.42298252,6.70248767,7.517632643,16.6212527,9.170390157,7.962256491,6.104552034,4.638690644,2.654645469,4.438564397,2.017090483,3.335575356,0.576483717,0.68326128,7.47E-05,3.89E-29,4.05E-75,8.12E-143,3.14E-232,0,0,0,0,0,0,0,0.336118561,3.229222739,0.631724696,6.563458746,3.168405462,1.469036952,3.996751171,4.714912846,1.249811044,1.358003752,1.838985959,2.563610101,0.196903939,2.120502924,0.0934426,0.224738136,0.004063894,0.004812265,5.26E-07,2.74E-31,2.85E-77,5.72E-145,2.21E-234,0,0,0,0,0,0,0,1.084095588,3.229228706,2.010868102,7.774947085,4.242999036,2.537295804,4.681802958,6.591289049,2.620008936,1.954640278,2.307065821,2.986551691,0.592848845,2.593661553,0.351613691,0.761850727,0.042320077,0.050147512,5.48E-06,2.86E-30,2.97E-76,5.96E-144,2.30E-233,0,0,0,0,0,0,0,3.776163001,3.229298599,7.016031029,16.16056177,9.835155239,6.382099562,7.290187788,15.69638184,8.598272807,7.29211703,5.700985953,4.511434034,2.466779625,4.29665181,1.851749286,3.110506983,0.513639142,0.608773499,6.65E-05,3.47E-29,3.61E-75,7.23E-143,2.80E-232,0,0,0,0,0,0,0,1.597558368,3.229236188,2.960505473,8.888125907,5.101289042,3.27062202,5.162056516,8.043845153,3.633815947,2.587328341,2.74793214,3.27707388,0.896046789,2.918472238,0.568771863,1.159622976,0.091915827,0.108927098,1.19E-05,6.21E-30,6.45E-76,1.29E-143,5.00E-233,0,0,0,0,0,0,0,4.831087909,3.229346654,8.995065239,21.16470466,12.76261118,7.888740628,8.373269002,20.26814611,11.38772083,10.74531337,7.760495494,5.110116278,3.392698325,4.964005698,2.683294456,4.208216489,0.840735346,0.996472363,1.09E-04,5.68E-29,5.90E-75,1.18E-142,4.58E-232,0,0,0,0,0,0,0,2.214746444,3.17566402,3.995015209,9.990654233,5.506828006,3.87159351,5.261141519,9.773994699,4.760920189,3.577177319,3.747200636,4.092992129,1.370799111,3.776539676,0.906760781,1.771209491,0.171530027,0.203284348,2.22E-05,1.16E-29,1.20E-75,2.41E-143,9.34E-233,0,0,0,0,0,0,0,7.780390434,2.479135728,0.128756962,0.748958258,0.238647301,0.518717215,0.577065457,0.152154083,10.38828312,20.60962933,33.48145965,0.623437387,1.247936755,6.539130843,1.329615547,0.019458956,0.828975737,0.168557421,0.366408782,0.16600233,0.003475078,7.888205346,8.847647621,16.90503944,0.743463606,0.535886189,6.920993335,1.683261775,0.053083854,0.799436566,0.194431774,0.410452554,0.266045203,0.025861749,8.657338964,12.10659055,21.38234811,0.699154849,0.702359507,7.735363932,2.437438123,0.124792248,0.751181655,0.236699762,0.512730615,0.557818984,0.142927913,10.2975943,20.12395778,32.77444389,0.626772483,1.213477511,7.130341457,1.877138428,0.071517871,0.785366584,0.206756129,0.435659357,0.330855713,0.04694238,9.078997757,14.02883374,24.06507231,0.678049876,0.81345745,7.928585976,2.616374333,0.141805984,0.74190693,0.244823763,0.538666316,0.642715488,0.184557754,10.68676629,22.23948732,35.86789806,0.612860395,1.365939558,7.767756818,2.436117697,0.124736713,0.752062078,0.235861109,0.517033829,0.557215257,0.142800695,10.32861123,20.19596762,32.88499285,0.628093116,1.217049781 +UMLYSI0014,L,"2,2’-dimethylbiphenyl",CC1=CC=CC=C1C2=CC=CC=C2C,aromatic,C14H14,605-39-0,11797,UML,,983.5,0,3.3084,10.94551056,68.0354,33.975102,12,12,28,14,14,0,14,0,0,0,0,0,0,0,0,0,2033.92259,2333.461047,3157.73474,3278.80562,2778.45592,2326.529701,1317.696918,365.411257,34.374816,6364.409047,7959.066155,11181.04606,12328.41223,11447.09929,10102.49408,7168.959511,3098.563863,540.3106771,199.62572,212.754588,347.709008,418.885328,458.302912,455.03842,408.973272,302.821156,81.419904,45.26918067,57.42312034,82.94365225,94.07909535,91.38321283,83.01248873,63.93480164,32.61015739,6.673217668,4363.968114,4045.631009,7014.089084,8545.314561,9696.543031,9934.503127,9231.860287,7569.531724,2155.421616,65.11111111,80.33333333,116.2222222,135.4444444,139.3333333,133.6666667,111.3333333,63,14,72.6400925,80.46417403,65.78614042,56.53113138,43.41337375,36.35202658,22.71891238,8.304801295,2.864568,227.3003231,274.4505571,232.9384596,212.5588315,178.8609265,157.85147,123.6027502,70.42190598,45.02588975,7.12949,7.336365103,7.243937667,7.222160828,7.160983,7.109975313,7.05126331,6.882299,6.784992,1.616756452,1.980107598,1.727992755,1.622053368,1.4278627,1.297070136,1.102324166,0.741139941,0.556101472,155.8560041,139.5045176,146.1268559,147.3330097,151.5084849,155.2266114,159.1700049,172.0348119,179.618468,2.325396825,2.770114943,2.421296296,2.335249042,2.177083333,2.088541667,1.91954023,1.431818182,1.166666667,0.0701294,-0.002963881,-0.018223312,-0.002900677,-0.005184938,-0.007282754,-0.02964962,0.009332178,0.01799317,847.462063,30.26650225,121.066009,-181.5990135,-363.198027,-242.132018,-423.7310315,363.198027,242.132018,1575.891894,56.28185336,225.1274134,-337.6911202,-675.3822403,-450.2548269,-787.945947,675.3822403,450.2548269,0.166012,0.005929,0.023716,-0.035574,-0.071148,-0.047432,-0.083006,0.071148,0.047432,7.044969994,0.251606071,1.006424285,-1.509636427,-3.019272855,-2.01284857,-3.522484997,3.019272855,2.01284857,38.26838882,1.366728172,5.466912688,-8.200369033,-16.40073807,-10.93382538,-19.13419441,16.40073807,10.93382538,6.047619048,-0.827097506,0.585034014,-0.733560091,-1.616780045,-0.505668934,-3.5430839,1.861678005,1.551020408,0.002504621,-1.02E-04,-3.80E-04,-5.00E-05,-8.10E-05,-1.14E-04,-5.11E-04,2.12E-04,0.001499431,30.26650225,1.043672491,2.522208521,-3.131017474,-5.674969172,-3.783312781,-7.30570744,8.254500614,20.17766817,56.28185336,1.940753564,4.690154447,-5.822260692,-10.5528475,-7.03523167,-13.58527495,15.34959637,37.52123557,0.005929,2.04E-04,4.94E-04,-6.13E-04,-0.001111687,-7.41E-04,-0.001431138,0.001617,0.003952667,0.251606071,0.008676071,0.020967173,-0.026028214,-0.047176138,-0.031450759,-0.0607325,0.068619838,0.167737381,1.366728172,0.047128558,0.113894014,-0.141385673,-0.256261532,-0.170841022,-0.329899904,0.372744047,0.911152115,0.215986395,-0.028520604,0.012188209,-0.012647588,-0.025262188,-0.007901077,-0.061087653,0.042310864,0.129251701,-0.040805687,-0.151580723,-0.019967755,-0.032346069,-0.045433226,-0.204102842,0.08468144,0.598665664,0.034482759,0.083333333,-0.103448276,-0.1875,-0.125,-0.24137931,0.272727273,0.666666667,0.034482759,0.083333333,-0.103448276,-0.1875,-0.125,-0.24137931,0.272727273,0.666666667,0.034482759,0.083333333,-0.103448276,-0.1875,-0.125,-0.24137931,0.272727273,0.666666667,0.034482759,0.083333333,-0.103448276,-0.1875,-0.125,-0.24137931,0.272727273,0.666666667,0.034482759,0.083333333,-0.103448276,-0.1875,-0.125,-0.24137931,0.272727273,0.666666667,-0.132048149,0.056430446,-0.058557336,-0.116961942,-0.036581365,-0.282831025,0.195895968,0.598425197,0.986688221,1.028901274,0.954662849,0.949494216,1.03308828,1.235563589,0.884044237,0.598535074,0.931034483,0.883928571,1.064039409,1.145089286,1.084821429,1.197044335,0.701298701,0.321428571,0.931034483,0.883928571,1.064039409,1.145089286,1.084821429,1.197044335,0.701298701,0.321428571,0.931034483,0.883928571,1.064039409,1.145089286,1.084821429,1.197044335,0.701298701,0.321428571,0.931034483,0.883928571,1.064039409,1.145089286,1.084821429,1.197044335,0.701298701,0.321428571,0.931034483,0.883928571,1.064039409,1.145089286,1.084821429,1.197044335,0.701298701,0.321428571,1.128970948,0.826771654,0.940809123,1.046382874,1.030880906,1.342791203,0.811739442,0.372047244,63.52818052,31.76409026,46.75524647,63.52818052,4.53772718,31.76409026,-3.55E-14,2.22E-16,1.59E-17,-50.46111474,69.78428547,4.984591819,5.943572387,63.52818052,31.76409026,46.75524647,63.52818052,4.53772718,31.76409026,-3.55E-14,2.22E-16,1.59E-17,-50.46111474,69.78428547,4.984591819,5.943572387,63.52818052,31.76409026,46.75524647,63.52818052,4.53772718,31.76409026,-3.55E-14,2.22E-16,1.59E-17,-50.46111474,69.78428547,4.984591819,5.943572387,63.52818052,31.76409026,46.75524647,63.52818052,4.53772718,31.76409026,-3.55E-14,2.22E-16,1.59E-17,-50.46111474,69.78428547,4.984591819,5.943572387,63.52818052,31.76409026,46.75524647,63.52818052,4.53772718,31.76409026,-3.55E-14,2.22E-16,1.59E-17,-50.46111474,69.78428547,4.984591819,5.943572387,63.52818052,31.76409026,46.75524647,63.52818052,4.53772718,31.76409026,-3.55E-14,2.22E-16,1.59E-17,-50.46111474,69.78428547,4.984591819,5.943572387,73.51378936,36.22889805,54.57459166,73.45936759,5.247097685,36.22889805,-0.095238095,0.00537034,3.84E-04,-7.317609689,67.35441737,4.811029812,5.893955885,0,11.89,12.11024183,-0.150949037,0.069311519,6.630986791,10.34369834,15,29,23,17,3,6,0,0,0,12,15.304898,3.917209834,3.6386399,2.893184382,2.869018568,2.760421945,2.414120389,2.118166502,1.872303311,2.053266176,1.853397482,1.412043266,1.412021103,1.10694815,0.969506144,0.821487655,0.59272991,3.924997093,3.651255369,2.92057072,2.900603738,2.78131873,2.447219048,2.174367997,1.923869242,2.029856456,1.817496787,1.327889089,1.327725178,1.048318,0.884262583,0.733227592,0.48670587,3.961121206,3.709393694,3.058713131,3.051541607,2.875061302,2.604246705,2.405592005,2.13963964,1.968760449,1.721588079,1.089214596,1.083643185,0.894460056,0.637208498,0.448513968,0.181403196,3.930825949,3.660681992,2.941766625,2.924571594,2.796769038,2.472322499,2.21497093,1.961159944,2.015709863,1.79556576,1.274634959,1.274023272,1.012778022,0.830141698,0.675128519,0.419798817,3.980045886,3.739527567,3.134422893,3.130713177,2.922994941,2.685255763,2.50850601,2.241319718,1.951645863,1.69421528,1.021242099,1.011629317,0.850856112,0.563030971,0.349576261,0.0862402,3.91105737,3.681292381,2.97572849,2.962339595,2.813948561,2.52789142,2.264976975,1.986922891,2.031953285,1.769182604,1.208500807,1.207724053,0.983932658,0.756193406,0.621514126,0.372149814,0,0,0,8,4,2,0,0,0,0,0,0,0.166666667,0.262891712,0,0,0,0.055555556,0.083333333,0.743570048,0,0.248005645,0,0.433012702,0,0.104166667,0,1.94548283,3.098141575,4.374484689,0.944177252,1.252189953,1.503187131,9.966255326,6.7876937,5.85119109,4.905593715,3.962018314,3.112737823,1.550714578,0.930668863,0.71187538,0.452512913,0.292559555,0.188676681,0.123813072,0.084128049,0.055382663,0.035794956,8.618802154,4.904700538,3.629842699,2.580306004,1.750195599,1.152510585,0.479819519,0.236188243,0.615628725,0.326980036,0.181492135,0.099242539,0.054693612,0.031148935,0.017136411,0.009084163,17.79279463,27.21485798,26.07843137,26.32,19.58988144,208.3966479,0.635456951,0.971959213,0.931372549,0.94,0.699638623,7.442737425,3.40964,59.158,88.29632943,128.8640859,176.5926589,12.61376135,88.29632943,2.78E-16,1.98E-17,-50.14871377,95.55398564,6.825284689,6.383567935,162,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,8,0,0,0,0,0,0,0,0,2,0,0,0,0,8,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.35759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.403962585,0,0,0,0,3.403962585,0,0,0,0,0,0,0,0,4.309074074,0,0,0,0,17.01055556,0,0,0,0,5.347037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.335,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.415277778,0,0,0,0,0.415277778,0,0,0,0,0,0,0,0,2.154537037,0,0,0,0,2.080462963,0,0,0,0,1.335,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.178240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.433055556,0,0,0,0,0.433055556,0,0,0,0,0,0,0,0,2.154537037,0,0,0,0,2.178240741,0,0,0,0,1.338518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26.66666667,1.904761905,0.433055556,2.178240741,0.1775,1.335,8.017083519,0.331666667,0.178240741,2.639259259,0.331666667,0.178240741,2.639259259,7,0.5,0,0,0.5,0.7,0.44,0.44,0.7,0.06,0.06,0,0,0.71429,0,0,0.14286,0.28571,0,19.5,1.39286,7.5,0.53571,12,0.85714,4.5,0.32143,0,0,8.41538,0.6011,19.02392,10.60854,0.75775,2.80176,0.20013,6.78767,3.98591,0.28471,0.12633,0.00902,0.29833,0.02131,0.428571429,43,0,0,0,0,0,0,0.142857143,1,2.324862958,2.753434386,3.324862958,3.4677201,3.4677201,28,65.09616281,77.09616281,93.09616281,97.09616281,97.09616281,0.208014598,0.483605433,0.572754546,0.69162003,0.721336402,0.721336402,3.807354922,2.482491964,2.053920536,1.482491964,1.339634822,1.339634822,0.194959022,0.453253008,0.536806875,0.64821203,0.676063319,0.676063319,6.503912516,16.98736798,22.13022512,24.27643585,24.42041086,24.42041086,49,41.56538167,32.93091091,28.39350972,27.8771226,27.8771226,10.51555556,4.68,2.343195266,0,12,0,3,1.606,0.2,4.213902806,3.614408014,0,9.460176034,12.74693699,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0.003,0.211,0.196,0.971,1.544,7.26,20,26,32,37,28,26,24,18,12,252,3.091042453,3.688879454,4.26969745,4.826311735,5.342932159,5.315666005,5.614495784,5.901266279,5.990643898,6.018745271,7.662225367,8.434461806,0.428571429,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.066666667,3,0.2,0,4,7,0.75,2,1.777777778,1.125,0.684444444,0.194444444,0.158367347,0,0,0,0,0.133333333,0.088888889,0.05625,0.042777778,0.014957265,0.026394558,0,0,0,0,0.362601823,42.11454281,61.35298548,84.22908562,6.016363259,42.11454281,2.78E-17,1.98E-18,-53.3723329,77.39090213,5.527921581,6.088416922,0,188.3685739,4.807354922,4.262679877,5.093750201,5.948034989,6.799055862,7.658699558,8.515391569,9.376109015,10.23462415,11.0954232,97.98376842,3.433987204,0,4.709530201,0,6.212606096,0,7.815610532,0,9.463508636,9.681031265,182.1095504,6.503912516,28.30607711,2.021862651,0,0,0,287,20,4.702,70,1.241199736,2.186014764,3.052963854,3.856341825,4.516471002,4.869658574,4.932130878,6.802260559,8.943535455,0,108.4887332,153.5775049,178.0355252,172.7885484,165.9284152,120.2428737,51.28903879,21.40851643,9.087204409,0,360.7803941,534.6074012,665.2574377,705.2917837,713.6391723,617.3987406,396.939994,320.7816954,277.9985704,0,9.13346641,15.88284785,22.08906552,27.65123282,32.09635125,34.32417568,34.13792267,46.22249183,60.08682099,0,2.566942004,3.924834988,5.054020149,5.601802237,5.849463941,5.42610573,4.019461506,3.898727451,3.976411278,0,171.4363756,316.168606,446.8754904,581.6652351,702.4559505,776.7538376,833.3859182,1216.298937,1653.817577,0,3.535882227,5.448171818,7.257851276,8.541645691,9.447797463,9.380631677,7.585411436,8.109352164,8.943535455,0,0.525959851,0.809561494,1.048939385,1.172364688,1.231967566,1.156466401,0.877388789,0.876407286,0.915818031,0,261.1507798,173.0204398,13.43506921,161.2686847,-106.8454736,-8.724796458,99.88209513,279.8659134,22.15986566,0.618226199,0.409593909,0.031805043,0.381773801,-0.252936909,-0.020654343,110.3151726,73.08720153,5.675234739,68.12303142,-45.13360774,-3.685523848,0.094139203,0.092787216,1.134990839,3.507475435,422.4194645,0,1,0,1161.909381,34.08679188,10.51293759,1299.226384,36.04478304,10.91176348,2376.068897,48.74493714,13.34400952,1.853703175,1.853703175,1133.865708,817.2662818,323.409075,1.387388337,3.505979873,2.527035711,4.805439398,5.122357316,8.943535455,0.745980396,8.962857499,4.776268656,9.032122203,13.1240909,3.406895261,12.58680431,14.63545863,12.82344969,2.992320434,6.546409352,9.142371785,2.263148539,3.995412736,0.020330637,4.083060206,3.01E-09,0.727003142,3.56E-14,3.37E-49,6.15E-106,2.16E-184,1.47E-284,0,0,0,0,0,0,0,0,0.61761626,3.899530614,0.662345291,4.840070684,0.289434653,6.024810315,6.400444899,1.640088343,1.295089479,0.876712181,1.302577797,0.019083723,0.268050504,0.001444477,0.041645769,2.12E-11,0.005120343,2.51E-16,2.37E-51,4.33E-108,1.52E-186,1.03E-286,0,0,0,0,0,0,0,0,1.931740927,4.020198529,2.196184304,5.884692747,0.924230599,7.089726758,7.888778255,3.608727017,1.479399824,1.519736768,2.864102019,0.169160824,0.907574806,0.00483541,0.332786418,2.21E-10,0.053357917,2.62E-15,2.47E-50,4.51E-107,1.59E-185,1.08E-285,0,0,0,0,0,0,0,0,8.314240358,4.701973245,8.457958908,12.38830142,3.215500261,12.08796539,14.06317848,12.02768573,2.831060709,6.017378802,8.648718563,2.016813831,3.724310904,0.019010244,3.64680759,2.68E-09,0.647746711,3.18E-14,3.00E-49,5.48E-106,1.93E-184,1.31E-284,0,0,0,0,0,0,0,0,2.949442585,4.120341671,3.300962289,6.793699743,1.360456629,7.902271091,8.967661898,5.053405609,1.654063052,2.113853805,3.947543597,0.363630983,1.382607579,0.00730099,0.691141082,4.80E-10,0.115900527,5.68E-15,5.37E-50,9.80E-107,3.45E-185,2.34E-285,0,0,0,0,0,0,0,0,11.52077401,5.074766009,11.22812741,16.10800042,4.116165078,14.54405093,16.8317206,15.89598137,3.65451657,8.711745739,10.98571034,3.298924929,5.047907994,0.025405889,5.912721055,4.39E-09,1.060265758,5.20E-14,4.91E-49,8.96E-106,3.15E-184,2.14E-284,0,0,0,0,0,0,0,0,4.204741852,4.045232948,4.286462307,7.74786624,1.749414601,8.41830425,10.13910019,6.55049998,1.944429071,2.908699145,5.204277253,0.626607963,1.957910731,0.010268916,1.171600251,8.30E-10,0.200380241,9.82E-15,9.29E-50,1.69E-106,5.96E-185,4.04E-285,0,0,0,0,0,0,0,0,5.265236348,3.057896976,0.119812353,0.623625515,0.362183661,0.44797588,0.585357554,0.143459874,8.442945678,17.0977645,27.469755,0.478713765,1.176793308,4.468993218,1.806289905,0.018698735,0.710042278,0.286986831,0.322720445,0.204260027,0.00349491,6.293981858,8.18963719,14.63456079,0.565063417,0.530475383,4.724759317,2.20833283,0.05117932,0.676485635,0.316186569,0.360719225,0.305301224,0.026179942,6.984271466,10.78867205,18.30694041,0.514728452,0.692200391,5.238055545,3.0151729,0.116360874,0.625843795,0.360253387,0.443362045,0.56911685,0.135314204,8.369589318,16.753996,26.96134743,0.479145774,1.1477931,4.860766437,2.422122442,0.068450762,0.661208252,0.329480416,0.381787093,0.367270885,0.046829675,7.351339641,12.27189077,20.42912666,0.491812379,0.795887654,5.353852624,3.197187512,0.131064978,0.616653744,0.368250265,0.463184169,0.639891987,0.171669721,8.682105115,18.23801264,29.16359248,0.477356014,1.274745877,5.246775264,3.016639233,0.116151775,0.626139241,0.359999448,0.444839234,0.569671026,0.134828345,8.379566272,16.78743837,27.00541174,0.479208033,1.149338605 +UMLYSI0015,L,anthracene,C1=CC=C2C=C3C=CC=CC3=CC2=C1,aromatic,C14H10,120-12-7,8418,PubChem,,962.6,0,2.4922,6.21106084,67.3498,31.30793,14,16,24,14,10,0,14,0,0,0,0,0,0,0,0,0,2029.858334,2429.296816,3415.952422,3374.641389,2391.038846,1695.959674,1065.394518,439.909682,54.524736,6240.074069,7923.636592,11612.10417,12292.98266,9620.005071,6871.822534,4563.389739,2410.375667,645.4489321,172.751864,191.824576,308.243992,397.955316,372.843896,291.660904,199.435992,140.8034,68.781312,43.49072905,55.7578431,83.6266862,92.41381811,76.00783254,55.05062815,37.21778639,21.60800915,7.121854669,3624.297506,3559.935175,5851.926788,8059.618726,7848.138633,6364.488687,4320.232812,3200.565197,1721.996103,61.11111111,76.22222222,114.8888889,134.2222222,116,85.66666667,60.66666667,38,14,84.57743058,93.43449292,81.33220052,61.35711616,45.98151627,41.3648701,38.04980421,21.9954841,5.4524736,260.0030862,304.7552535,276.4786706,223.5087757,185.0000975,167.6054276,162.978205,120.5187833,64.54489321,7.197994333,7.377868308,7.339142667,7.2355512,7.170074923,7.113680585,7.122714,7.04017,6.8781312,1.81211371,2.144532427,1.991111576,1.680251238,1.461689087,1.342698248,1.329206657,1.080400457,0.712185467,151.0123961,136.9205836,139.3315902,146.5385223,150.9257429,155.2314314,154.294029,160.0282598,172.1996103,2.546296296,2.931623932,2.735449735,2.44040404,2.230769231,2.089430894,2.166666667,1.9,1.4,0.070869274,-0.006185137,-0.017401601,-0.005781145,-0.023645668,0.017381923,-0.002315427,-0.013048262,0.00792806,706.2183858,42.03680868,-126.110426,-135.358524,-258.9467415,74.82551945,-97.52539614,-63.89594919,129.4733707,1313.243245,78.16924078,-234.5077223,-251.7049553,-481.5225232,139.1412486,-181.3526386,-118.817246,240.7612616,0.138343333,0.008234722,-0.024704167,-0.026515806,-0.050725889,0.014657806,-0.019104556,-0.012516778,0.025362944,5.870808328,0.349452877,-1.04835863,-1.125238263,-2.15262972,0.62202612,-0.810730674,-0.531168373,1.07631486,31.89032402,1.898233572,-5.694700717,-6.112312103,-11.69311881,3.378855759,-4.403901888,-2.88531503,5.846559403,5.092592593,-0.591049383,-0.967592593,-0.179783951,-1.978395062,1.087191358,-0.274691358,-0.87345679,0.674382716,0.002952886,-2.38E-04,-4.14E-04,-1.05E-04,-4.55E-04,4.24E-04,-8.27E-05,-6.52E-04,7.93E-04,29.42576608,1.616800334,-3.002629191,-2.461064072,-4.979745028,1.82501267,-3.483049862,-3.19479746,12.94733707,54.71846854,3.006509261,-5.583517198,-4.576453733,-9.260048523,3.39368899,-6.47687995,-5.940862299,24.07612616,0.005764306,3.17E-04,-5.88E-04,-4.82E-04,-9.75E-04,3.58E-04,-6.82E-04,-6.26E-04,0.002536294,0.244617014,0.013440495,-0.02496092,-0.020458878,-0.041396725,0.015171369,-0.028954667,-0.026558419,0.107631486,1.328763501,0.073008984,-0.135588112,-0.111132947,-0.224867669,0.082411116,-0.15728221,-0.144265752,0.58465594,0.212191358,-0.022732669,-0.023037919,-0.003268799,-0.038046059,0.026516862,-0.009810406,-0.04367284,0.067438272,-0.080561815,-0.140311473,-0.035596264,-0.153993188,0.143571165,-0.028004404,-0.220940812,0.268485092,0.054945055,-0.102040816,-0.083636364,-0.169230769,0.062020906,-0.118367347,-0.108571429,0.44,0.054945055,-0.102040816,-0.083636364,-0.169230769,0.062020906,-0.118367347,-0.108571429,0.44,0.054945055,-0.102040816,-0.083636364,-0.169230769,0.062020906,-0.118367347,-0.108571429,0.44,0.054945055,-0.102040816,-0.083636364,-0.169230769,0.062020906,-0.118367347,-0.108571429,0.44,0.054945055,-0.102040816,-0.083636364,-0.169230769,0.062020906,-0.118367347,-0.108571429,0.44,-0.107132867,-0.108571429,-0.015404959,-0.179300699,0.124966741,-0.046233766,-0.205818182,0.317818182,0.920426859,0.93951033,0.905764034,1.100778803,0.874004897,1.124608474,1.42088395,0.98110311,0.758241758,0.93877551,1.003636364,1.137362637,0.961672474,1.126530612,1.182857143,0.788571429,0.758241758,0.93877551,1.003636364,1.137362637,0.961672474,1.126530612,1.182857143,0.788571429,0.758241758,0.93877551,1.003636364,1.137362637,0.961672474,1.126530612,1.182857143,0.788571429,0.758241758,0.93877551,1.003636364,1.137362637,0.961672474,1.126530612,1.182857143,0.788571429,0.758241758,0.93877551,1.003636364,1.137362637,0.961672474,1.126530612,1.182857143,0.788571429,0.945734266,0.908051948,0.912396694,1.148391608,0.881241685,1.111168831,1.354909091,0.903272727,54.43888839,27.2194442,40.24878003,54.43888839,3.888492028,27.2194442,1.42E-14,3.33E-16,2.38E-17,-49.89346359,4000047.953,285717.711,21.28254367,54.43888839,27.2194442,40.24878003,54.43888839,3.888492028,27.2194442,1.42E-14,3.33E-16,2.38E-17,-49.89346359,4000047.953,285717.711,21.28254367,54.43888839,27.2194442,40.24878003,54.43888839,3.888492028,27.2194442,1.42E-14,3.33E-16,2.38E-17,-49.89346359,4000047.953,285717.711,21.28254367,54.43888839,27.2194442,40.24878003,54.43888839,3.888492028,27.2194442,1.42E-14,3.33E-16,2.38E-17,-49.89346359,4000047.953,285717.711,21.28254367,54.43888839,27.2194442,40.24878003,54.43888839,3.888492028,27.2194442,1.42E-14,3.33E-16,2.38E-17,-49.89346359,4000047.953,285717.711,21.28254367,54.43888839,27.2194442,40.24878003,54.43888839,3.888492028,27.2194442,1.42E-14,3.33E-16,2.38E-17,-49.89346359,4000047.953,285717.711,21.28254367,58.30740259,28.76060185,42.78322553,58.25298082,4.160927202,28.76060185,-0.095238095,0.017553343,0.00125381,-5.65951522,182.3262491,13.02330351,7.288116724,0,11.85,12.15017245,-0.186771484,0.11562907,7.061867187,9.535267555,16,26,19,10,0,7,0,0,0,16,10.93207,4.078281934,3.647740396,3.028541397,2.975272243,2.567540613,2.423381032,2.00908274,1.2933641,2.179517551,1.833527276,1.335618685,1.26722033,1.015736734,0.754944655,0.715118715,0.419819729,4.084347068,3.658614878,3.046301139,2.991002302,2.592031282,2.438213691,2.050189327,1.372168642,2.16267603,1.802441821,1.284656591,1.216098882,0.940486562,0.688259368,0.606885745,0.273913332,4.111973445,3.708823372,3.129221361,3.066419694,2.710351745,2.51383724,2.247869157,1.728344033,2.117718531,1.719371685,1.146760189,1.082784126,0.736009322,0.531297147,0.289911055,0.201514022,4.088859955,3.66674555,3.059636903,3.002912007,2.610646428,2.449650396,2.081487006,1.431292704,2.152405756,1.78344064,1.253268428,1.185072999,0.893867634,0.649425939,0.537615937,0.176830891,4.126150182,3.734898189,3.172602469,3.107151344,2.774072243,2.558025104,2.351441939,1.897751392,2.10480287,1.695701441,1.107442113,1.046297359,0.678744284,0.492896113,0.195544998,0.361717936,4.063221175,3.684688722,3.094096433,3.018876149,2.654543445,2.417222609,2.146722529,1.515584411,2.175532958,1.759494173,1.207196193,1.154361901,0.83177391,0.654226186,0.45180972,0.072095018,0,0,0,10,4,0,0,0,0,0,0,0,0.222222222,0.392837101,0,0,0,0.076388889,0.112262552,0.666666667,0,0.166666667,0,0.333333333,0,0.055555556,0,1.799113742,2.91638319,4.324775672,0.744016936,1.008903002,1.245744098,9.380468889,6.93265299,6.080637243,5.343990882,4.587856261,4.052465954,2.572882561,1.869246011,0.670033492,0.433290812,0.276392602,0.178133029,0.114696407,0.075045666,0.049478511,0.033379393,7.773502692,4.809401077,3.546509365,2.614031049,1.882638632,1.388200239,0.734846741,0.442117697,0.555250192,0.300587567,0.161204971,0.087134368,0.047065966,0.025707412,0.014131668,0.007894959,16.70913902,23.43918427,22.62745098,22.8,17.99277246,175.8255269,0.696214126,0.976632678,0.942810458,0.95,0.749698852,7.326063623,3.993,61.454,145.1285003,163.2259899,293.8785699,20.99132642,145.1285003,0.067178317,0.004798451,-3.780566644,85.31611484,6.094008203,6.224908699,180,0,0,0,14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26.66666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.5,0,0,0,0,4.5,0,0,0,0,0,0,0,0,0,0,0,0,0,21.42148148,0,0,0,0,0,5.245185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.311296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,2.080462963,0,0,0,0,0,1.311296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.240740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,2.240740741,0,0,0,0,0,1.311296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26.66666667,1.904761905,0.45,2.240740741,0.25,1.311296296,8.156914815,0.35537037,0.240740741,2.842962963,0.35537037,0.240740741,2.842962963,7,0.5,0,0,0.53333,0.7,0.44737,0.44737,0.7,0.08596,0.08596,0,0,0.71429,0,0,0,0.28571,0,22,1.57143,8,0.57143,14,1,6,0.42857,0,0,6.46977,0.46213,17.99559,11.52582,0.82327,2.52019,0.18001,6.93263,4.41244,0.31517,-0.01863,-0.00133,0.23937,0.0171,0.583333333,74,0,0,0,0,0,0,0,0.979868757,1.483355755,2.117492461,2.918295834,3.084962501,3.251629167,23.51685016,35.60053812,50.81981907,70.03910002,74.03910002,78.03910002,0.213713581,0.323526257,0.461834194,0.636492847,0.672843562,0.709194277,3.605093744,3.101606746,2.46747004,1.666666667,1.5,1.333333333,0.192604602,0.291570828,0.416217774,0.573624992,0.606385265,0.639145537,5.973635422,12.0154794,19.62511988,22.26421872,22.43218956,24.43218956,43.36541471,47.17835351,39.86715587,35.47869793,34.95037709,31.78045209,9.2421875,3.867768595,1.76,0,14,0,3,1.4544,0,0,0,0,14.73270019,16.82742808,0,3.301927249,0,0,0,0,0,0,0,0,0,0,0,0.003,0.257,0.256,1.261,2.128,7.796,22,30,40,54,52,56,60,60,36,440,3.218875825,3.921973336,4.627420795,5.315666005,6.018745271,6.385721242,6.864652039,7.338715523,7.743963979,7.638651613,9.020597124,18.79707919,0.428571429,3,0,0,0,3,0,0,0,0,0,0,0,3,0,0,0,0,0,0,2,0,0,1,6,0,0,3,0,0,0,2,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,7,0.75,2,1.333333333,0.5,0.888888889,0.111111111,0.078367347,0,0,0,0,0.125,0.060606061,0.023809524,0.063492063,0.011111111,0.013061224,0,0,0,0,0.297079984,40.82916629,60.37317004,81.65833259,5.832738042,40.82916629,5.00E-16,3.57E-17,-49.32581244,4000047.953,285717.711,21.28254367,0,162.4756565,4.807354922,4.343805422,5.198497031,6.070737728,6.944087208,7.82284529,8.701679071,9.582248697,10.46278901,11.34390308,100.4705925,3.496507561,0,4.795790546,0,6.329720906,0,7.9686657,0,9.657139344,9.865110483,178.0782503,7.419927097,29.51003759,2.107859828,0,0,0,279,21,4.366,76,1.282261919,2.297891257,3.17195865,4.165870482,5.254369647,6.295079778,7.363753342,8.349894211,9.426822844,0,129.0209681,196.2725495,203.0981748,203.6939971,227.5369333,251.3534536,162.1492971,45.59342746,9.578255326,0,412.3030204,657.2339548,733.3524923,806.0700769,906.2589266,1062.318107,892.2499719,539.4396946,293.0209521,0,9.489841407,16.89456644,23.00689026,29.95264865,37.42177812,44.93084775,51.87010625,57.43403783,63.33376991,0,2.866651568,4.694268174,5.479120094,6.307323497,7.200580528,8.597220453,7.997969035,5.950644892,4.191287088,0,173.7325509,318.3001693,460.7745865,622.7230178,812.6969645,964.4668079,1176.13929,1437.659755,1743.185946,0,3.856395441,6.400391428,7.92355087,9.551748755,11.16942977,13.95429166,14.05667641,11.6957891,9.426822844,0,0.584705983,0.962563196,1.133706708,1.316390362,1.508664729,1.805801542,1.709589853,1.315424304,0.965306659,0,229.0738098,142.5951478,14.240592,149.1924025,-92.87012209,-7.586623964,79.8814073,235.4652699,21.82721596,0.605588875,0.376970353,0.03764701,0.394411125,-0.245515246,-0.020056309,86.65088239,53.93892645,5.386734797,56.43444501,-35.12962932,-2.869763511,0.101153115,0.098261434,1.633531289,1.186632804,378.2662123,0,1,0,1185.407339,34.42974497,10.58333485,1284.400823,35.83853823,10.87009964,2186.182254,46.75662792,12.97862811,3.591567695,3.591567695,1321.277877,1083.505679,237.7733934,1.219447118,5.556878584,4.556883609,4.963780405,5.289929508,9.438011493,0.78414693,3.605616396,5.920308729,2.82536831,22.00484269,0.393151127,11.4149989,10.42771186,3.881311274,13.84864478,1.266551819,6.116284351,1.597729757,6.6910621,3.696585255,3.671311095,0.661014469,0.808355632,1.171737799,2.07E-14,1.05E-49,1.10E-106,2.22E-185,8.68E-286,0,0,0,0,0,0,0,0.302619656,5.920307613,0.23711851,13.94544076,0.392376843,1.255889867,1.121954629,0.322894232,4.972057889,0.304036771,2.404685667,1.255738977,0.462294383,0.368643788,0.05505779,0.055474364,0.005693315,0.008252645,1.46E-16,7.43E-52,7.74E-109,1.57E-187,6.11E-288,0,0,0,0,0,0,0,0.976831708,5.920307841,0.765435427,14.50653309,0.392534891,3.329580606,3.020245186,1.037625834,6.223098665,0.373041963,2.922837372,1.325546586,1.432548865,1.04794243,0.344475056,0.179078009,0.05932873,0.085998925,1.52E-15,7.74E-51,8.06E-108,1.63E-186,6.37E-287,0,0,0,0,0,0,0,3.403409302,5.920308661,2.666917496,21.12796737,0.393103726,10.79306553,9.857590989,3.65935776,13.10681285,1.162534567,5.804348255,1.576793327,6.203197505,3.492849237,3.291178328,0.623943737,0.720230315,1.043997283,1.84E-14,9.39E-50,9.79E-107,1.98E-185,7.73E-286,0,0,0,0,0,0,0,1.439657145,5.920307997,1.128108442,15.21356843,0.392643386,4.753104288,4.323722273,1.531716053,7.248429837,0.458258757,3.349634304,1.373467321,2.188021699,1.514261184,0.676390278,0.263928036,0.128869929,0.186801157,3.30E-15,1.68E-50,1.75E-107,3.54E-186,1.38E-286,0,0,0,0,0,0,0,4.354298249,5.920308982,3.412040376,25.68693516,0.393326632,13.71773826,12.5391,4.707771575,16.82059828,1.702880339,7.36743047,1.675247936,8.618377703,4.450930098,5.259018443,0.798270701,1.178910719,1.708869457,3.02E-14,1.54E-49,1.60E-106,3.24E-185,1.27E-285,0,0,0,0,0,0,0,1.987611047,5.346202314,1.522455772,15.67947514,0.398771171,5.64441327,5.622151365,2.117608848,8.106670412,0.602408695,3.909664415,1.555703824,3.122049283,2.072885213,1.116592609,0.364384226,0.222803021,0.322960231,5.70E-15,2.91E-50,3.03E-107,6.13E-186,2.39E-286,0,0,0,0,0,0,0,7.860019017,2.508567671,9.16E-06,0.75806012,0.241938996,0.552843515,0.545851921,0.25894676,10.36859585,19.71748461,30.08626115,0.63709018,1.357642196,6.084237972,1.335095033,3.37E-06,0.820051506,0.179948039,0.33125935,0.154612552,0.033424178,7.419336377,8.123060913,15.54242468,0.73007726,0.51929608,6.604872831,1.679144651,5.08E-06,0.797302613,0.202696774,0.390377005,0.244567378,0.077412541,8.28402256,11.09057895,19.37465784,0.695953919,0.712356924,7.791193624,2.463087,8.94E-06,0.75979848,0.240200648,0.543204067,0.526238678,0.246247772,10.25428956,19.19047941,29.44494054,0.63969772,1.315690517,6.899632752,1.873928662,6.04E-06,0.786411319,0.213587993,0.425997548,0.304599404,0.110482601,8.773567456,12.92947258,21.70311814,0.679616978,0.841079553,8.089076246,2.659931235,9.91E-06,0.752540996,0.247458083,0.585535092,0.613710769,0.303483417,10.74901739,21.51649305,32.26572358,0.628811493,1.502729278,7.80333408,2.46263285,8.93E-06,0.760116153,0.239882977,0.544898256,0.526044647,0.245706111,10.26597586,19.21683853,29.482986,0.64017423,1.316649014 +UMLYSI0016,L,"9,10-dihydrophenanthrene",C1CC2=CC=CC=C2C3=CC=CC=C31,aromatic,C14H12,776-35-2,13058,PubChem,,952.2,0,2.1492,4.61906064,66.762,32.641516,12,12,26,14,12,0,14,0,0,0,0,0,0,0,0,0,2031.890462,2453.510992,3466.412902,3571.398118,2776.423792,1845.308986,835.455268,251.281465,28.278432,6302.241558,8153.109824,12133.21812,13299.78101,11384.93181,8372.996908,4486.139845,1652.247277,353.8082105,186.188792,206.05984,350.151448,460.840216,444.865984,403.946344,280.010128,131.666212,41.10912,44.37995486,57.98493172,88.97008925,101.435347,90.49398702,70.19161149,40.54029268,16.14338353,4.005540239,3994.13281,3866.18027,6834.252283,9538.573881,9326.707727,8941.629868,6528.310811,3200.951258,1045.915704,59.61111111,74.91666667,116.2222222,138.1111111,130.3333333,110.6666667,70.33333333,30,8,78.14963315,87.62539257,72.21693546,55.80309559,44.7810289,32.37384186,20.8863817,13.22534026,4.713072,242.3939061,291.1824937,252.7753775,207.8090782,183.6279323,146.8946826,112.1534961,86.960383,58.96803508,7.161107385,7.35928,7.294821833,7.200628375,7.175257806,7.086777965,7.0002532,6.929800632,6.85152,1.706921341,2.070890419,1.853543526,1.584927296,1.459580436,1.231431781,1.013507317,0.849651765,0.66759004,153.6204927,138.0778668,142.3802559,149.0402169,150.4307698,156.8706994,163.2077703,168.4711188,174.3192839,2.292735043,2.675595238,2.421296296,2.157986111,2.102150538,1.941520468,1.758333333,1.578947368,1.333333333,0.066873364,-9.42E-04,-0.022736142,-6.14E-04,-0.012759556,-0.00695442,-0.00564426,0.004694533,0.007703276,782.2726735,51.57841804,-84.53129622,-44.41474886,-449.878424,-178.3753624,63.04028871,136.1097143,80.23309472,1454.669441,95.91227081,-157.1895549,-82.59112209,-836.5681399,-331.6966032,117.2261088,253.1018258,149.1968657,0.153241846,0.010103858,-0.016559101,-0.008700544,-0.088128095,-0.034942509,0.01234916,0.026662959,0.015717112,6.503049225,0.428772476,-0.702710447,-0.369220744,-3.739848822,-1.482838147,0.524055249,1.131482924,0.666979408,35.3246666,2.329098897,-3.817134303,-2.005612939,-20.31491816,-8.054800352,2.846676429,6.1462332,3.623042728,5.042735043,0.400558843,-0.826758711,-0.408612755,-2.242932281,-0.531722551,0.237672584,0.338428665,0.310650888,0.002572052,-3.36E-05,-4.74E-04,-9.59E-06,-2.06E-04,-1.22E-04,-1.41E-04,2.47E-04,0.001283879,30.08741052,1.842086358,-1.761068671,-0.693980451,-7.256103613,-3.129392322,1.576007218,7.163669172,13.37218245,55.94882464,3.425438243,-3.274782395,-1.290486283,-13.49303451,-5.819238653,2.930652719,13.32114872,24.86614429,0.005893917,3.61E-04,-3.45E-04,-1.36E-04,-0.001421421,-6.13E-04,3.09E-04,0.001403314,0.002619519,0.250117278,0.015313303,-0.014639801,-0.005769074,-0.060320142,-0.026014704,0.013101381,0.059551733,0.111163235,1.358641023,0.083182103,-0.079523631,-0.031337702,-0.32765997,-0.141312287,0.071166911,0.323485958,0.603840455,0.193951348,0.014305673,-0.01722414,-0.006384574,-0.036176327,-0.009328466,0.005941815,0.017812035,0.051775148,-0.013074891,-0.184160175,-0.003727809,-0.080013642,-0.047435802,-0.054861436,0.096063622,0.49916527,0.06122449,-0.058531746,-0.023065476,-0.241167435,-0.104010025,0.052380952,0.238095238,0.444444444,0.06122449,-0.058531746,-0.023065476,-0.241167435,-0.104010025,0.052380952,0.238095238,0.444444444,0.06122449,-0.058531746,-0.023065476,-0.241167435,-0.104010025,0.052380952,0.238095238,0.444444444,0.06122449,-0.058531746,-0.023065476,-0.241167435,-0.104010025,0.052380952,0.238095238,0.444444444,0.06122449,-0.058531746,-0.023065476,-0.241167435,-0.104010025,0.052380952,0.238095238,0.444444444,0.07375908,-0.088806497,-0.032918432,-0.18652269,-0.048096937,0.030635593,0.091837645,0.266949153,0.895025405,1.007269483,0.845105361,0.978281375,1.057571301,1.19550885,1.21426218,0.946210925,0.829081633,0.967261905,0.967261905,1.185675883,1.086048454,0.967261905,0.814536341,0.64484127,0.829081633,0.967261905,0.967261905,1.185675883,1.086048454,0.967261905,0.814536341,0.64484127,0.829081633,0.967261905,0.967261905,1.185675883,1.086048454,0.967261905,0.814536341,0.64484127,0.829081633,0.967261905,0.967261905,1.185675883,1.086048454,0.967261905,0.814536341,0.64484127,0.829081633,0.967261905,0.967261905,1.185675883,1.086048454,0.967261905,0.814536341,0.64484127,0.841026029,0.943900071,0.897278867,1.11502187,1.082366934,1.077595339,1.043710972,0.826271186,62.55033558,30.77673817,45.8402581,62.55033558,4.467881113,30.77673817,-7.11E-15,2.78E-17,1.98E-18,-53.3723329,81.20228199,5.800163,6.15572069,62.55033558,30.77673817,45.8402581,62.55033558,4.467881113,30.77673817,-7.11E-15,2.78E-17,1.98E-18,-53.3723329,81.20228199,5.800163,6.15572069,62.55033558,30.77673817,45.8402581,62.55033558,4.467881113,30.77673817,-7.11E-15,2.78E-17,1.98E-18,-53.3723329,81.20228199,5.800163,6.15572069,62.55033558,30.77673817,45.8402581,62.55033558,4.467881113,30.77673817,-7.11E-15,2.78E-17,1.98E-18,-53.3723329,81.20228199,5.800163,6.15572069,62.55033558,30.77673817,45.8402581,62.55033558,4.467881113,30.77673817,-7.11E-15,2.78E-17,1.98E-18,-53.3723329,81.20228199,5.800163,6.15572069,62.55033558,30.77673817,45.8402581,62.55033558,4.467881113,30.77673817,-7.11E-15,2.78E-17,1.98E-18,-53.3723329,81.20228199,5.800163,6.15572069,74.45223939,35.09839847,53.73618451,74.40144574,5.314388981,35.09839847,-0.177777778,0.005422278,3.87E-04,-7.304135069,78.39875796,5.599911283,6.106531319,0,11.85,12.15017245,-0.198953009,0.101807762,7.072179687,10.19857806,16,28,22,16,4,6,0,0,0,12,13.118484,3.964175151,3.603025503,3.102903534,2.779972455,2.652569698,2.303806465,2.256799277,1.419732098,2.098638588,1.805250456,1.524714513,1.107024492,1.066465634,0.84021677,0.816459948,0.5278143,3.971975104,3.614998897,3.128920546,2.79726027,2.674375437,2.329937271,2.292624497,1.508652177,2.075769828,1.771778835,1.459516628,1.048652383,0.99479734,0.744307534,0.733493586,0.394965635,4.007988705,3.670075167,3.248371707,2.880545944,2.78098456,2.46231189,2.455578872,1.879878273,2.015569461,1.681600706,1.273097731,0.898725777,0.804397595,0.492326154,0.488863214,0.051245393,3.977804903,3.623941213,3.148374796,2.810365689,2.691006141,2.350089443,2.319358306,1.573421988,2.06189741,1.751245421,1.418372165,1.013456808,0.95080964,0.6853602,0.68048204,0.305936602,4.026746447,3.698535662,3.30913255,2.925880402,2.839330374,2.537642909,2.537036808,2.044551747,1.998569017,1.655715029,1.21738172,0.85824907,0.752289993,0.425962382,0.413618623,0.210250227,3.971547947,3.684023307,3.121691613,2.854475099,2.738864494,2.376790463,2.334653917,1.618475548,2.07821956,1.687978803,1.422172912,0.953382577,0.89508358,0.624541401,0.623948164,0.217434374,0,0,0,8,4,0,2,0,0,0,0,0,0.222222222,0.371211015,0,0,0,0.086805556,0.139230271,0.60549886,0,0.191638319,0,0.348461713,0,0.079758898,0,1.82649207,3.269075925,4.823558521,0.906332757,1.389767667,1.759963302,9.380468889,6.949489743,5.994132902,5.393934187,4.744991101,4.108021509,2.577742913,1.872052136,0.670033492,0.434343109,0.272460586,0.173997877,0.112975979,0.0746913,0.049571979,0.033429502,8.033015716,5.11180732,3.81429411,2.988575772,2.27146739,1.692302444,0.931877469,0.572735121,0.573786837,0.319487957,0.173377005,0.09640567,0.054082557,0.030769135,0.017920721,0.010227413,17.25096682,25.32702112,24.35294118,24.56,18.79132695,192.1110874,0.663498724,0.974116197,0.936651584,0.944615385,0.722743344,7.388887978,3.39749,59.02,145.727038,163.7106448,293.6264347,20.97331676,145.727038,0.058089934,0.004149281,-3.984068028,132.0684828,9.433463061,6.836648837,170,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,2,0,0,8,0,0,0,0,0,0,0,0,0,0,2,0,0,8,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.2912963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.376805556,0,0.890555556,0,0,3.376805556,0,0,0,0,0,0,0,0,0,0,2.37537037,0,0,17.45694444,0,0,0,0,5.834351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.425324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0.445277778,0,0,0.406597222,0,0,0,0,0,0,0,0,0,0,1.187685185,0,0,2.125925926,0,0,0,0,1.425324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.241342593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.433055556,0,0.445277778,0,0,0.433055556,0,0,0,0,0,0,0,0,0,0,1.187685185,0,0,2.241342593,0,0,0,0,1.491851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,25.66666667,1.833333333,0.445277778,2.241342593,0.159722222,1.187685185,7.531425278,0.312314815,0.241342593,2.913888889,0.312314815,0.241342593,2.913888889,7,0.5,0,0,0.51538,0.7,0.44737,0.44737,0.7,0.06802,0.06802,0,0,0.71429,0,0,0,0.28571,0,20,1.42857,8,0.57143,12,0.85714,4,0.28571,0,0,7.97874,0.56991,18.11505,10.13631,0.72402,3.08035,0.22003,6.94947,3.86911,0.27637,-0.03547,-0.00253,0.22253,0.0159,0.538461538,74,0,0,0,0,0,0,0.142857143,0.995727452,2.315824334,2.777362795,3.39274741,3.546593564,3.546593564,25.88891375,60.21143267,72.21143267,88.21143267,92.21143267,92.21143267,0.211837086,0.492682488,0.590872974,0.721793622,0.754523784,0.754523784,3.704712266,2.384615385,1.923076923,1.307692308,1.153846154,1.153846154,0.195721813,0.455202211,0.545922964,0.666883969,0.69712422,0.69712422,6.289566003,17.47192774,23.01038928,25.32169314,25.47674315,25.47674315,46.57293998,41.20906496,32.89731371,28.37274851,27.84953629,27.84953629,9.2421875,3.867768595,1.648283039,0,12,0,3,1.4974,0,0,0,0,14.84736996,16.91630931,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0.003,0.197,0.196,1.121,1.752,7.616,22,31,42,55,52,56,58,58,36,440,3.135494216,3.737669618,4.363098625,4.961094849,5.531906176,5.658610756,6.055026029,6.402642473,6.696706262,6.682539269,8.151445969,7.880433239,0.428571429,3,0,0,0,3,0,0,0,0,0,0,0,3,0,0,0,0,0,0,2,0,0,1,6,0,0,3,0,0,0,2,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,7,0.75,1.5,1.555555556,0.75,0.648888889,0.125,0.078367347,0,0,0,0,0.09375,0.070707071,0.034090909,0.040555556,0.0125,0.019591837,0,0,0,0,0.271195372,39.63941003,57.38537672,79.27882005,5.662772861,39.63941003,1.11E-16,7.93E-18,-51.4315208,90.62870966,6.473479262,6.309479465,0,176.0121152,4.807354922,4.343805422,5.209486153,6.089044875,6.972606251,7.859799181,8.747828608,9.636979715,10.52623909,11.41591885,100.8017081,3.496507561,0,4.795790546,0,6.340359304,0,7.995980475,0,9.705219524,9.908624337,180.0939004,6.926688476,29.51387083,2.108133631,0,0,0,271,22,4.152,76,1.282452397,2.274060829,3.131543125,4.108370496,5.044246767,5.968093226,7.038046728,8.210477432,9.210186984,0,122.4260729,174.715682,184.5660098,197.3802865,172.2876246,132.0916189,94.36707495,38.3229278,9.358139428,0,396.9107451,600.4343912,678.9808874,789.8824346,767.192341,693.4036295,622.8014743,481.3375548,286.2870984,0,9.470087041,16.62935311,22.61376182,29.54767481,35.80911417,41.84403478,48.82528221,56.24080284,61.87830969,0,2.783230903,4.358102408,5.136045457,6.204426634,6.373361296,6.204129314,6.067244094,5.458697448,4.094967989,0,175.0760052,321.1287693,462.0634988,613.2262964,786.8276142,969.1350293,1181.472852,1432.315686,1703.126152,0,3.527890902,5.623347501,6.917543289,8.835918999,9.979542209,10.69735775,11.24407699,10.91361442,9.210186984,0,0.568652688,0.896572382,1.065470239,1.295649181,1.345291393,1.327269615,1.316893435,1.212704539,0.943123147,0,271.2605559,168.8650188,14.20779987,129.66279,-80.71763105,-7.002608827,141.5977659,249.5826499,21.2104087,0.676589574,0.421190286,0.035437697,0.323410426,-0.201329336,-0.017466204,108.7546897,67.70192834,5.69623866,51.98483958,-32.36158271,-2.807509361,0.10018999,0.098736747,1.524888568,1.822715743,400.9233458,0,1,0,1154.395981,33.9764033,10.49022819,1272.338913,35.66986,10.83596524,2173.997892,46.62615031,12.95447169,2.678114358,2.678114358,1207.262482,904.9929436,329.806606,1.334002094,3.660516374,2.744010966,4.982968071,5.346968406,9.210186984,0.722506341,4.00007784,7.134260508,3.194015842,23.99771869,5.055214327,7.809004031,8.770882386,4.501279733,18.27833756,3.057224877,9.443661521,2.771765154,5.304700798,3.612964499,2.397822216,0.04640775,0.012060051,2.25E-04,8.10E-28,5.62E-73,7.53E-140,1.94E-228,0,0,0,0,0,0,0,0,0.335702997,7.134175404,0.186149811,14.41019387,1.457682212,0.707904934,0.800975825,0.38959009,5.483114435,0.439692768,0.882870896,2.579754094,1.329556125,0.303210053,0.063335305,3.27E-04,8.49E-05,1.59E-06,5.71E-30,3.96E-75,5.30E-142,1.37E-230,0,0,0,0,0,0,0,0,1.083680024,7.134181371,0.654879213,15.1733981,2.131346959,2.157295841,2.386930764,1.10646944,7.351742507,0.700315802,1.829659054,2.614328508,2.096667037,0.978799686,0.295318546,0.00340616,8.85E-04,1.65E-05,5.95E-29,4.13E-74,5.53E-141,1.43E-229,0,0,0,0,0,0,0,0,3.775747437,7.134251264,2.958495275,22.98844545,4.81351357,7.374246293,8.268510939,4.206262501,17.2321214,2.800165676,8.636331997,2.758376277,5.045673111,3.410343063,2.168398108,0.041348495,0.010745289,2.01E-04,7.22E-28,5.01E-73,6.71E-140,1.73E-228,0,0,0,0,0,0,0,0,1.597142804,7.134188854,1.019772069,16.05178197,2.611810349,3.152285412,3.487775121,1.634928969,8.855153643,0.96048395,2.717329512,2.639434277,2.636418472,1.442571327,0.527175363,0.007398545,0.001922641,3.59E-05,1.29E-28,8.97E-74,1.20E-140,3.10E-229,0,0,0,0,0,0,0,0,4.830672346,7.134299318,4.124381949,28.2141293,5.974492404,9.418754333,10.64735539,5.642762537,22.45051028,4.118926417,12.75444171,2.823193534,6.281558311,4.363181204,3.345500315,0.067681223,0.017588452,3.28E-04,1.18E-27,8.20E-73,1.10E-139,2.84E-228,0,0,0,0,0,0,0,0,2.214256529,6.314365956,1.470166908,16.11821225,3.18482995,4.163431929,4.665205053,2.363830234,11.0729114,1.351224369,4.005709051,3.165519402,3.650510276,2.14985922,0.893149541,0.013807405,0.003588114,6.70E-05,2.41E-28,1.67E-73,2.24E-140,5.79E-229,0,0,0,0,0,0,0,0,6.134465646,3.03956065,0.23331664,0.652093337,0.323105118,0.490651248,0.566677104,0.135797487,9.407342936,20.78653337,34.54431713,0.478140005,1.193125839,4.948525342,1.766711156,0.076433648,0.728616855,0.260129117,0.319277304,0.191445597,0.01457114,6.791670145,9.255884945,16.71578504,0.592925283,0.525294041,5.313372389,2.158295672,0.1246978,0.699462412,0.284122133,0.368093355,0.285717037,0.038785426,7.596365861,12.3995292,21.42590806,0.549193618,0.692595818,6.091446337,2.993388826,0.227625812,0.654117784,0.321439073,0.48379367,0.5495919,0.129253121,9.312460975,20.30201038,33.76501575,0.481176676,1.162638691,5.513390991,2.372972295,0.151157422,0.685956676,0.29523685,0.396328741,0.345381893,0.056993217,8.037520708,14.27520641,24.29033842,0.528935015,0.79870385,6.276054669,3.191525475,0.252046799,0.645709419,0.328358845,0.51356234,0.624756239,0.15847837,9.719626942,22.41646162,37.18463342,0.468564129,1.296796949,6.115020702,2.99078804,0.227302945,0.655196349,0.320449186,0.487541956,0.548637302,0.128863614,9.333111686,20.35850792,33.84870196,0.482794524,1.165042872 +UMLYSI0017,L,phenanthrene,C1=CC=C2C(=C1)C=CC3=CC=CC=C32,aromatic,C14H10,85-01-8,995,PubChem,,941.7,0,2.4922,6.21106084,67.3498,31.30793,14,16,24,14,10,0,14,0,0,0,0,0,0,0,0,0,2029.858334,2429.296816,3415.952422,3495.707398,2677.53496,1766.570074,805.144708,249.249337,28.278432,6240.074069,7923.636592,11612.10417,12518.11008,10404.87139,7498.074743,4070.164146,1590.079788,353.8082105,172.751864,191.824576,308.243992,397.979032,374.488,320.929768,225.46408,118.229284,41.10912,43.49072905,55.7578431,83.6266862,93.42024239,80.69640673,60.8426682,35.64552663,15.25415772,4.005540239,3624.297506,3559.935175,5851.926788,8065.085639,7731.892041,6913.38867,5112.559803,2831.115954,1045.915704,61.11111111,76.33333333,114.2222222,133.1111111,122,97.66666667,61.33333333,28,8,84.57743058,93.43449292,81.33220052,63.55831633,51.49105692,39.25711276,25.16077212,14.66172571,4.713072,260.0030862,304.7552535,276.4786706,227.6020014,200.0936805,166.6238832,127.1926296,93.53410519,58.96803508,7.197994333,7.377868308,7.339142667,7.2359824,7.201692308,7.131772622,7.0457525,6.954663765,6.85152,1.81211371,2.144532427,1.991111576,1.698549862,1.551853976,1.352059293,1.113922707,0.897303395,0.66759004,151.0123961,136.9205836,139.3315902,146.6379207,148.6902316,153.6308593,159.7674939,166.5362326,174.3192839,2.546296296,2.935897436,2.71957672,2.42020202,2.346153846,2.17037037,1.916666667,1.647058824,1.333333333,0.071633103,-0.006446205,-0.026298643,0.009072841,-0.010877239,-0.01159458,-0.006421066,0.005151633,0.007780396,706.2183858,42.03680868,-126.110426,-14.29251495,-299.3020778,-184.121222,-33.62944694,115.1808558,105.9327579,1313.243245,78.16924078,-234.5077223,-26.57754186,-556.5649943,-342.3812746,-62.53539262,214.1837197,196.9864868,0.138343333,0.008234722,-0.024704167,-0.002799806,-0.058631222,-0.036068083,-0.006587778,0.022563139,0.0207515,5.870808328,0.349452877,-1.04835863,-0.118813978,-2.488104482,-1.5306036,-0.279562301,0.957500882,0.880621249,31.89032402,1.898233572,-5.694700717,-0.645399415,-13.51542304,-8.314263047,-1.518586858,5.201159988,4.783548602,5.092592593,-0.479938272,-1.634259259,0.746141975,-1.070987654,-1.002314815,-0.456790123,0.457561728,0.615740741,0.002984713,-2.48E-04,-6.26E-04,1.65E-04,-2.09E-04,-2.58E-04,-2.01E-04,3.03E-04,0.001296733,29.42576608,1.616800334,-3.002629191,-0.259863908,-5.755809189,-4.091582712,-1.050920217,6.775344458,17.65545965,54.71846854,3.006509261,-5.583517198,-0.483228034,-10.70317297,-7.608472769,-1.954231019,12.59904234,32.83108113,0.005764306,3.17E-04,-5.88E-04,-5.09E-05,-0.001127524,-8.02E-04,-2.06E-04,0.001327243,0.003458583,0.244617014,0.013440495,-0.02496092,-0.002160254,-0.047848163,-0.034013413,-0.008736322,0.056323581,0.146770208,1.328763501,0.073008984,-0.135588112,-0.011734535,-0.259911981,-0.184761401,-0.047455839,0.305950588,0.7972581,0.212191358,-0.018459164,-0.038910935,0.013566218,-0.020595916,-0.022273663,-0.014274691,0.026915396,0.102623457,-0.083066949,-0.209788426,0.055268552,-0.070083018,-0.086325674,-0.067228685,0.101529792,0.434458126,0.054945055,-0.102040816,-0.008831169,-0.195604396,-0.139047619,-0.035714286,0.230252101,0.6,0.054945055,-0.102040816,-0.008831169,-0.195604396,-0.139047619,-0.035714286,0.230252101,0.6,0.054945055,-0.102040816,-0.008831169,-0.195604396,-0.139047619,-0.035714286,0.230252101,0.6,0.054945055,-0.102040816,-0.008831169,-0.195604396,-0.139047619,-0.035714286,0.230252101,0.6,0.054945055,-0.102040816,-0.008831169,-0.195604396,-0.139047619,-0.035714286,0.230252101,0.6,-0.086993007,-0.183376623,0.063933884,-0.097062937,-0.104969697,-0.067272727,0.12684492,0.483636364,0.929744856,1.007284891,0.796013503,1.001711072,1.136370495,1.210995901,1.112306989,0.808865004,0.758241758,0.93877551,0.931948052,1.137362637,1.139047619,1.108928571,0.927731092,0.657142857,0.758241758,0.93877551,0.931948052,1.137362637,1.139047619,1.108928571,0.927731092,0.657142857,0.758241758,0.93877551,0.931948052,1.137362637,1.139047619,1.108928571,0.927731092,0.657142857,0.758241758,0.93877551,0.931948052,1.137362637,1.139047619,1.108928571,0.927731092,0.657142857,0.758241758,0.93877551,0.931948052,1.137362637,1.139047619,1.108928571,0.927731092,0.657142857,0.926433566,0.97974026,0.802909091,1.042237762,1.148606061,1.191818182,1.062673797,0.752727273,52.8525467,26.42627335,38.25691781,52.8525467,3.775181907,26.42627335,1.78E-14,2.08E-16,1.49E-17,-50.55146867,90.62870966,6.473479262,6.309479465,52.8525467,26.42627335,38.25691781,52.8525467,3.775181907,26.42627335,1.78E-14,2.08E-16,1.49E-17,-50.55146867,90.62870966,6.473479262,6.309479465,52.8525467,26.42627335,38.25691781,52.8525467,3.775181907,26.42627335,1.78E-14,2.08E-16,1.49E-17,-50.55146867,90.62870966,6.473479262,6.309479465,52.8525467,26.42627335,38.25691781,52.8525467,3.775181907,26.42627335,1.78E-14,2.08E-16,1.49E-17,-50.55146867,90.62870966,6.473479262,6.309479465,52.8525467,26.42627335,38.25691781,52.8525467,3.775181907,26.42627335,1.78E-14,2.08E-16,1.49E-17,-50.55146867,90.62870966,6.473479262,6.309479465,52.8525467,26.42627335,38.25691781,52.8525467,3.775181907,26.42627335,1.78E-14,2.08E-16,1.49E-17,-50.55146867,90.62870966,6.473479262,6.309479465,59.5288858,29.00832783,43.02894944,59.47788031,4.248420022,29.00832783,-0.095238095,0.026825321,0.001916094,-5.065772649,88.51699196,6.322642283,6.276472346,0,11.85,12.15017245,-0.183365997,0.119895591,7.061867187,10.18842111,16,26,19,10,0,7,0,0,0,16,10.93207,4.092149051,3.603216134,3.145235315,2.845312431,2.669290293,2.267334873,2.156900822,1.131577402,2.187015561,1.802241892,1.441231417,1.150476095,1.049922763,0.74051908,0.732320878,0.360169776,4.097755398,3.614939079,3.162396448,2.861403591,2.688754397,2.291982793,2.189210032,1.222134003,2.17104974,1.7691572,1.392136517,1.096062542,0.982243688,0.658107808,0.640142864,0.207194984,4.123419425,3.66896609,3.242408359,2.93908743,2.784702646,2.413220285,2.345572734,1.621666429,2.128782416,1.680293134,1.259313443,0.956067332,0.805987288,0.439950853,0.379243791,0.30150537,4.101933479,3.62369958,3.175276379,2.873611169,2.703630007,2.310824601,2.213823863,1.289592283,2.161348083,1.748887092,1.361906725,1.06322485,0.941037266,0.607597936,0.581988655,0.104727077,4.136669278,3.696949372,3.284213911,2.981435121,2.837903014,2.479878842,2.428881637,1.806321717,2.116738231,1.654863378,1.22140843,0.918269975,0.758728497,0.380500169,0.303913096,0.477825119,4.070754219,3.648276692,3.21760002,2.880706423,2.725239236,2.320801031,2.252692132,1.376951126,2.190945532,1.717803164,1.309202886,1.039173422,0.898049047,0.573171528,0.522861063,0.002748459,0,0,0,10,4,0,0,0,0,0,0,0,0.222222222,0.371211015,0,0,0,0.076388889,0.107965315,0.60549886,0,0.191638319,0,0.311004234,0,0.068945856,0,1.82649207,3.269075925,4.823558521,0.777510585,1.153240569,1.412410764,9.380468889,6.949489743,5.994132902,5.393934187,4.744991101,4.108021509,2.577742913,1.872052136,0.670033492,0.434343109,0.272460586,0.173997877,0.112975979,0.0746913,0.049571979,0.033429502,7.773502692,4.815384141,3.507834231,2.65420195,1.954807416,1.409033573,0.735511526,0.44245009,0.555250192,0.300961509,0.15944701,0.085619418,0.046543034,0.025618792,0.014144452,0.007900894,16.70913902,23.43918427,22.62745098,22.8,17.99277246,175.8255269,0.696214126,0.976632678,0.942810458,0.95,0.749698852,7.326063623,3.993,61.454,145.727038,163.7106448,293.6264347,20.97331676,145.727038,0.058089934,0.004149281,-3.984068028,132.0684828,9.433463061,6.836648837,170,0,0,0,14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26.66666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.5,0,0,0,0,4.5,0,0,0,0,0,0,0,0,0,0,0,0,0,21.36703704,0,0,0,0,0,5.29962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.311296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,2.080462963,0,0,0,0,0,1.311296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.178240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,2.178240741,0,0,0,0,0,1.338518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26.66666667,1.904761905,0.45,2.178240741,0.25,1.311296296,8.15882037,0.35537037,0.178240741,2.734074074,0.35537037,0.178240741,2.734074074,7,0.5,0,0,0.53333,0.7,0.44737,0.44737,0.7,0.08596,0.08596,0,0,0.71429,0,0,0,0.28571,0,22,1.57143,8,0.57143,14,1,6,0.42857,0,0,6.52043,0.46575,18.11505,11.59461,0.82819,2.52111,0.18008,6.94947,4.42836,0.31631,-0.03547,-0.00253,0.22253,0.0159,0.583333333,74,0,0,0,0,0,0,0,0.979868757,1.483355755,2.054585169,2.855388542,3.251629167,3.418295834,23.51685016,35.60053812,49.31004406,68.52932501,78.03910002,82.03910002,0.213713581,0.323526257,0.448113844,0.622772496,0.709194277,0.745544993,3.605093744,3.101606746,2.530377331,1.729573959,1.333333333,1.166666667,0.192604602,0.291570828,0.403852614,0.561259833,0.639145537,0.671905809,5.973635422,12.0154794,18.87023237,24.03284834,24.43218956,24.6001604,43.36541471,47.17835351,40.77241836,32.98797084,31.78045209,31.25213126,9.2421875,3.867768595,1.648283039,0,14,0,3,1.4544,0,0,0,0,14.84736996,16.91630931,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0.003,0.257,0.256,1.261,2.128,7.796,22,31,42,55,52,56,58,58,36,440,3.218875825,3.921973336,4.659895086,5.364222141,6.037050177,6.385721242,6.864652039,7.304836381,7.710077371,7.638651613,9.007570861,18.55378196,0.428571429,3,0,0,0,3,0,0,0,0,0,0,0,3,0,0,0,0,0,0,2,0,0,1,6,0,0,3,0,0,0,2,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,7,0.75,1.5,1.555555556,0.75,0.648888889,0.125,0.078367347,0,0,0,0,0.09375,0.070707071,0.034090909,0.040555556,0.0125,0.019591837,0,0,0,0,0.271195372,39.63941003,57.38537672,79.27882005,5.662772861,39.63941003,1.94E-16,1.39E-17,-50.64805869,90.62870966,6.473479262,6.309479465,0,162.4756565,4.807354922,4.343805422,5.209486153,6.089044875,6.972606251,7.859799181,8.747828608,9.636979715,10.52623909,11.41591885,100.8017081,3.496507561,0,4.795790546,0,6.340359304,0,7.995980475,0,9.705219524,9.908624337,178.0782503,7.419927097,29.51387083,2.108133631,0,0,0,271,22,4.366,76,1.273848602,2.279716351,3.149335553,4.15768629,5.111376907,6.083515442,7.107181016,8.152586452,9.141906879,0,127.8072284,194.515557,208.4980125,226.1220641,208.7179555,159.0954257,103.8569775,38.01213935,9.288762472,0,408.7398387,651.5576041,741.4813031,863.3713694,875.8242141,793.4373637,668.8893395,477.6376482,284.1646971,0,9.426400659,16.76028614,22.84807449,30.00179315,36.51244441,42.91732973,49.45803075,55.84279601,61.41957226,0,2.84318767,4.654545719,5.50268588,6.635087332,7.061693244,6.903981494,6.418063364,5.417761489,4.064609774,0,172.6657898,315.8233706,457.4775535,614.1092656,780.9362495,967.8920543,1181.143365,1422.332948,1690.499955,0,3.832273453,6.302687993,7.803747365,9.965106153,11.28546152,11.8312956,11.7718289,10.8330053,9.141906879,0,0.579973493,0.954450639,1.137275481,1.380131519,1.482223886,1.469073613,1.388942236,1.203650486,0.936131264,0,243.829216,151.5030638,15.13729992,185.2954544,-115.1331637,-9.56894844,58.53376162,266.6362275,24.70624836,0.568201348,0.353051396,0.03527483,0.431798652,-0.268297704,-0.022298761,104.633132,65.01370232,6.495788839,79.5148508,-49.40648094,-4.106271846,0.100394314,0.098440801,1.354765993,1.20118221,429.1246704,0,1,0,1209.733333,34.78122098,10.6552395,1308.726817,36.17632951,10.93829589,2254.232504,47.47875845,13.11191834,1.538804195,1.538804195,1185.66155,880.5641862,305.098399,1.346479414,3.886161164,2.886164559,4.909170008,5.267915304,9.141906879,0.735393671,3.605714103,4.936761992,4.281621831,19.24080075,0.557933587,6.987057417,7.164719021,5.934532849,11.07172614,2.35037392,9.333834384,1.252968178,5.014161392,3.389117039,3.115899673,0.002882338,0.133486325,2.70E-06,1.05E-32,7.91E-81,1.15E-150,3.21E-242,0,0,0,0,0,0,0,0,0.302717363,4.936758561,0.348688977,11.51036398,0.556015057,0.926367904,1.147655093,0.500103899,5.745236341,0.708088903,1.455464078,1.147473514,1.016258334,0.284422037,0.151639252,2.03E-05,9.40E-04,1.90E-08,7.41E-35,5.57E-83,8.08E-153,2.26E-244,0,0,0,0,0,0,0,0,0.976929415,4.936758943,1.132212172,12.19381507,0.556406669,2.163483843,2.368638861,1.597883808,6.616564907,0.836168808,2.54362329,1.155354185,1.745984672,0.918151031,0.561897645,2.12E-04,0.009797141,1.98E-07,7.72E-34,5.80E-82,8.42E-152,2.35E-243,0,0,0,0,0,0,0,0,3.403507009,4.936761669,4.034032617,18.45110594,0.557816136,6.616026348,6.793801914,5.597771659,10.66925636,2.176553199,8.667573039,1.241679878,4.738871616,3.199047909,2.865512323,0.002568111,0.118933912,2.40E-06,9.37E-33,7.04E-81,1.02E-150,2.86E-242,0,0,0,0,0,0,0,0,1.439754852,4.9367593,1.675798611,12.92857715,0.556675499,3.012725152,3.208951863,2.354890749,7.278816232,0.985597429,3.445004527,1.164817889,2.27255236,1.353187735,0.901370397,4.60E-04,0.021280699,4.30E-07,1.68E-33,1.26E-81,1.83E-151,5.11E-243,0,0,0,0,0,0,0,0,4.354395956,4.936763314,5.206074443,22.52398244,0.558368455,8.360818463,8.540961131,7.186028394,12.64862105,3.077159119,12.00956525,1.300247769,6.068112553,4.092859663,4.121221915,0.004203619,0.194677259,3.93E-06,1.53E-32,1.15E-80,1.67E-150,4.68E-242,0,0,0,0,0,0,0,0,1.987716186,4.43334763,2.27026403,13.14352783,0.583647567,3.572500757,4.031435155,3.124316572,8.248646641,1.247369075,4.593316181,1.294946306,2.977130618,1.868239758,1.323789092,7.94E-04,0.036792168,7.44E-07,2.90E-33,2.18E-81,3.16E-151,8.84E-243,0,0,0,0,0,0,0,0,6.550027901,2.956822118,8.43E-06,0.688979218,0.311019895,0.530359871,0.519984835,0.243408636,9.50685845,19.36734752,28.87436926,0.533468827,1.293753341,4.944637604,1.714414452,2.92E-06,0.742543443,0.257456119,0.302240427,0.174821296,0.028120314,6.659054972,8.477177587,15.13625728,0.613815164,0.505182036,5.415316597,2.078674382,4.54E-06,0.722620741,0.277378653,0.362519489,0.256997595,0.069151024,7.493995519,11.2567139,18.75076053,0.583931112,0.688668107,6.487806543,2.908669595,8.22E-06,0.690450417,0.309548708,0.520331457,0.503187597,0.231102854,9.396484356,18.87096285,28.2676023,0.535675626,1.254621908,5.681793611,2.284900758,5.46E-06,0.713192882,0.286806433,0.399075124,0.310518218,0.100513624,7.966699826,12.982378,20.94914867,0.569789323,0.810106966,6.757106265,3.117077891,9.14E-06,0.684319829,0.315679246,0.564424757,0.577873425,0.28665033,9.874193295,21.06251678,30.93690256,0.526479743,1.428948512,6.496892516,2.909727539,8.21E-06,0.690671762,0.309327366,0.52178988,0.503553914,0.230556789,9.406628263,18.90426429,28.31104773,0.536007643,1.255900583 +UMLYSI0018,L,"3,3’-dimethylbiphenyl",CC1=CC=CC(=C1)C2=CC(=CC=C2)C,aromatic,C14H14,612-75-9,11931,UML,,931.3,0,3.3084,10.94551056,68.0354,33.975102,12,12,28,14,14,0,14,0,0,0,0,0,0,0,0,0,2033.92259,2333.461047,3157.73474,3036.673602,2425.413662,2082.360684,1503.272072,836.471332,201.84192,6364.409047,7959.066155,11181.04606,11878.1574,10160.31575,8667.833013,6911.597917,4517.22359,2084.455817,199.62572,212.754588,347.709008,418.837896,454.2638,370.401456,326.802464,286.728592,167.629824,45.26918067,57.42312034,82.94365225,92.06624678,82.68105021,69.98139554,57.93656973,40.98490558,21.3736122,4363.968114,4045.631009,7014.089084,8534.380735,10003.56025,8027.975433,7150.962705,6713.228463,3929.30198,65.11111111,80.11111111,117.5555556,137.5555556,128.6666667,109.4444444,94.66666667,70.33333333,40,72.6400925,80.46417403,65.78614042,52.35644141,37.89708847,40.04539777,32.67982765,20.4017398,8.41008,227.3003231,274.4505571,232.9384596,204.7958172,158.7549336,166.6890964,150.2521286,110.1761851,86.85232572,7.12949,7.336365103,7.243937667,7.221343034,7.097871875,7.123104923,7.104401391,6.993380293,6.984576,1.616756452,1.980107598,1.727992755,1.587349082,1.291891409,1.345796068,1.259490646,0.999631843,0.890567175,155.8560041,139.5045176,146.1268559,147.1444954,156.3056289,154.3841429,155.455711,163.7372796,163.7209158,2.325396825,2.762452107,2.449074074,2.37164751,2.010416667,2.104700855,2.057971014,1.715447154,1.666666667,0.069718476,-0.001883458,-0.009321525,-0.031569236,0.006329612,0.006879113,-0.021201383,0.005467019,-0.010665942,847.462063,30.26650225,121.066009,-423.7310315,1.78E-13,-121.066009,-302.6650225,30.26650225,-242.132018,1575.891894,56.28185336,225.1274134,-787.945947,-1.14E-13,-225.1274134,-562.8185336,56.28185336,-450.2548269,0.166012,0.005929,0.023716,-0.083006,-2.48E-16,-0.023716,-0.05929,0.005929,-0.047432,7.044969994,0.251606071,1.006424285,-3.522484997,-5.33E-15,-1.006424285,-2.516060712,0.251606071,-2.01284857,38.26838882,1.366728172,5.466912688,-19.13419441,2.80E-14,-5.466912688,-13.66728172,1.366728172,-10.93382538,6.047619048,-1.049319728,1.918367347,-3.463718821,0.303854875,0.308390023,-2.919501134,0.930272109,-2.326530612,0.002489946,-6.49E-05,-1.94E-04,-5.44E-04,9.89E-05,1.32E-04,-4.61E-04,1.33E-04,-4.44E-04,30.26650225,1.043672491,2.522208521,-7.30570744,2.78E-15,-2.328192481,-6.579674402,0.738207372,-10.08883408,56.28185336,1.940753564,4.690154447,-13.58527495,-1.78E-15,-4.329373335,-12.23518551,1.372728131,-18.76061779,0.005929,2.04E-04,4.94E-04,-0.001431138,-3.88E-18,-4.56E-04,-0.001288913,1.45E-04,-0.001976333,0.251606071,0.008676071,0.020967173,-0.0607325,-8.33E-17,-0.019354313,-0.054696972,0.006136733,-0.08386869,1.366728172,0.047128558,0.113894014,-0.329899904,4.37E-16,-0.105132936,-0.29711482,0.033334833,-0.455576057,0.215986395,-0.036183439,0.039965986,-0.05971929,0.004747732,0.005930577,-0.063467416,0.022689564,-0.096938776,-0.026083638,-0.077993043,-0.218598018,0.039719819,0.053129933,-0.185104301,0.05355215,-0.178483522,0.034482759,0.083333333,-0.24137931,9.17E-17,-0.076923077,-0.217391304,0.024390244,-0.333333333,0.034482759,0.083333333,-0.24137931,-3.16E-17,-0.076923077,-0.217391304,0.024390244,-0.333333333,0.034482759,0.083333333,-0.24137931,-6.54E-16,-0.076923077,-0.217391304,0.024390244,-0.333333333,0.034482759,0.083333333,-0.24137931,-3.31E-16,-0.076923077,-0.217391304,0.024390244,-0.333333333,0.034482759,0.083333333,-0.24137931,3.20E-16,-0.076923077,-0.217391304,0.024390244,-0.333333333,-0.167526473,0.18503937,-0.27649561,0.021981627,0.027458106,-0.293849138,0.105050893,-0.448818898,0.967722159,0.971655953,1.211213841,0.944047494,0.959874713,1.237985976,0.961169235,1.041421655,0.931034483,0.883928571,1.197044335,0.964285714,1.038461538,1.173913043,0.940766551,1.285714286,0.931034483,0.883928571,1.197044335,0.964285714,1.038461538,1.173913043,0.940766551,1.285714286,0.931034483,0.883928571,1.197044335,0.964285714,1.038461538,1.173913043,0.940766551,1.285714286,0.931034483,0.883928571,1.197044335,0.964285714,1.038461538,1.173913043,0.940766551,1.285714286,0.931034483,0.883928571,1.197044335,0.964285714,1.038461538,1.173913043,0.940766551,1.285714286,1.163182188,0.702755906,1.248710291,0.914616142,0.925348274,1.326429305,0.846936816,1.488188976,66.51705711,33.25852856,50.06202175,66.51705711,4.751218365,33.25852856,-5.68E-14,2.22E-16,1.59E-17,-50.46111474,74.23490931,5.302493522,6.030128322,66.51705711,33.25852856,50.06202175,66.51705711,4.751218365,33.25852856,-5.68E-14,2.22E-16,1.59E-17,-50.46111474,74.23490931,5.302493522,6.030128322,66.51705711,33.25852856,50.06202175,66.51705711,4.751218365,33.25852856,-5.68E-14,2.22E-16,1.59E-17,-50.46111474,74.23490931,5.302493522,6.030128322,66.51705711,33.25852856,50.06202175,66.51705711,4.751218365,33.25852856,-5.68E-14,2.22E-16,1.59E-17,-50.46111474,74.23490931,5.302493522,6.030128322,66.51705711,33.25852856,50.06202175,66.51705711,4.751218365,33.25852856,-5.68E-14,2.22E-16,1.59E-17,-50.46111474,74.23490931,5.302493522,6.030128322,66.51705711,33.25852856,50.06202175,66.51705711,4.751218365,33.25852856,-5.68E-14,2.22E-16,1.59E-17,-50.46111474,74.23490931,5.302493522,6.030128322,74.78069233,37.1080629,56.84162038,74.739876,5.338562572,37.1080629,-0.095238095,0.004722065,3.37E-04,-7.497712703,70.32880134,5.02348581,5.95445397,0,11.85,12.15017245,-0.207514792,0.092755673,6.181359375,9.872137224,15,29,23,17,3,6,0,0,0,12,15.304898,3.906481092,3.655089338,2.966519086,2.830586325,2.723579409,2.315311663,2.076030495,2.053966957,2.048801944,1.866639169,1.431943129,1.368975724,1.10521606,0.897390251,0.829965305,0.763895617,3.914820596,3.667383592,2.989715338,2.86164158,2.747166717,2.347176826,2.135386903,2.10938364,2.024744348,1.830896998,1.352638331,1.284972403,1.044079512,0.807042294,0.732893449,0.666007647,3.953155728,3.724222946,3.108303442,3.010516162,2.854272135,2.507159322,2.380221708,2.33338796,1.961193687,1.736187829,1.135095452,1.042296415,0.876253225,0.542143767,0.425903069,0.374954325,3.921044561,3.676578555,3.00769299,2.885225698,2.764746767,2.371803954,2.178286034,2.149111127,2.010134817,1.809141326,1.303040546,1.231473675,1.006338725,0.749254061,0.669534741,0.603631174,3.973027657,3.753819649,3.175264719,3.088967169,2.90827809,2.593567271,2.489952881,2.433662832,1.943153721,1.70935218,1.075726723,0.971062087,0.826661649,0.463940049,0.320748661,0.279386375,3.909788817,3.687748759,3.010279734,2.929098026,2.799655576,2.413356955,2.241652352,2.206970958,2.015930417,1.790280306,1.263540336,1.162058476,0.963503095,0.682396749,0.601058525,0.53740118,0,0,0,8,4,2,0,0,0,0,0,0,0.166666667,0.262891712,0,0,0,0.055555556,0.083333333,0.910683603,0,0.083333333,0,0.5,0,0.027777778,0,1.641138495,2.492060319,3.385402294,0.731125224,0.933012702,1.069331515,9.966255326,6.754020195,6.063714582,4.620580145,3.818363512,3.00894074,1.682828881,1.079643338,0.71187538,0.450268013,0.303185729,0.192524173,0.127278784,0.083581687,0.056094296,0.037229081,8.618802154,4.89273441,3.738959455,2.369479727,1.64925186,1.092734924,0.527356321,0.284466962,0.615628725,0.326182294,0.186947973,0.098728322,0.054975062,0.030353748,0.017578544,0.009809206,17.79279463,27.21485798,26.07843137,26.32,19.58988144,208.3966479,0.635456951,0.971959213,0.931372549,0.94,0.699638623,7.442737425,3.40964,59.158,86.21843337,123.9291746,172.4368667,12.31691905,86.21843337,6.66E-16,4.76E-17,-48.92305754,91.64617973,6.546155695,6.325109406,166,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,8,0,0,0,0,0,0,0,0,2,0,0,0,0,8,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.41806122,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.391844529,0,0,0,0,3.391844529,0,0,0,0,0,0,0,0,4.248605442,0,0,0,0,17.20008692,0,0,0,0,5.217974301,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.299722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.415277778,0,0,0,0,0.415277778,0,0,0,0,0,0,0,0,2.124302721,0,0,0,0,2.104166667,0,0,0,0,1.299722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.217037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.433055556,0,0,0,0,0.433055556,0,0,0,0,0,0,0,0,2.124302721,0,0,0,0,2.217037037,0,0,0,0,1.309264928,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26.66666667,1.904761905,0.433055556,2.217037037,0.182397959,1.299722222,8.021818401,0.366944444,0.217037037,2.897384732,0.366944444,0.217037037,2.897384732,7,0.5,0,0,0.5,0.7,0.44,0.44,0.7,0.06,0.06,0,0,0.71429,0,0,0.14286,0.28571,0,19.5,1.39286,7.5,0.53571,12,0.85714,4.5,0.32143,0,0,8.16505,0.58322,18.727,10.56195,0.75443,2.79993,0.19999,6.75399,3.95407,0.28243,0.16001,0.01143,0.33201,0.02371,0.428571429,43,0,0,0,0,0,0,0.142857143,1,2.324862958,2.896291529,3.4677201,3.4677201,3.4677201,28,65.09616281,81.09616281,97.09616281,97.09616281,97.09616281,0.208014598,0.483605433,0.602470917,0.721336402,0.721336402,0.721336402,3.807354922,2.482491964,1.911063393,1.339634822,1.339634822,1.339634822,0.194959022,0.453253008,0.564658164,0.676063319,0.676063319,0.676063319,6.503912516,16.98736798,23.84451084,24.42041086,24.42041086,24.42041086,49,41.56538167,29.83258818,27.8771226,27.8771226,27.8771226,10.51555556,4.68,2.75,0,12,0,3,1.606,0.142857143,4.133483093,2.746356192,0,9.634349289,13.65293169,0,2.525064636,0,0,0,0,0,0,0,0,0,0,0,0.003,0.211,0.196,0.971,1.544,7.26,20,24,30,36,30,29,24,22,12,256,3.091042453,3.688879454,4.226833745,4.789572909,5.332114746,5.364222141,5.685703361,5.901266279,6.148501682,6.018745271,7.703212233,8.65020752,0.428571429,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.066666667,3,0.2,0,4,7,0.75,3,1.333333333,0.75,0.604444444,0.305555556,0.163265306,0.055555556,0,0,0,0.2,0.066666667,0.041666667,0.043174603,0.025462963,0.020408163,0.013888889,0,0,0,0.411267952,44.20499837,66.12125807,88.40999674,6.314999767,44.20499837,5.00E-16,3.57E-17,-49.32581244,83.34917041,5.953512172,6.192254119,0,188.3685739,4.807354922,4.262679877,5.068904202,5.916202063,6.741700695,7.592366129,8.425297177,9.275659838,10.11224816,10.96153823,97.35659637,3.433987204,0,4.709530201,0,6.188264123,0,7.75576717,0,9.364862411,9.591854259,182.1095504,6.503912516,28.30977922,2.022127087,0,0,0,301,18,4.702,70,1.241167329,2.185942901,3.057379308,3.84770311,4.808191144,5.741572708,6.505068809,7.804188742,8.917896849,0,108.4840581,153.8585367,166.7080507,161.1954291,208.5958367,203.3233693,147.4916387,67.97977578,9.061153944,0,360.7666694,535.2578096,644.0695582,653.530599,844.9894607,903.1878377,769.8570933,695.5058264,277.2016265,0,9.133222047,15.8832384,22.11491804,27.40227324,34.33850249,40.86486512,45.6570333,54.59337963,59.91456893,0,2.566851626,3.928328637,4.95946671,5.22759883,6.72936121,7.465546019,6.86045001,7.091643719,3.965012023,0,171.4322666,316.1014419,447.309842,594.8916399,736.0282277,887.4640104,1052.633588,1270.983769,1649.076546,0,3.523284181,5.524780035,7.361459138,8.008271473,10.4100591,12.05558618,11.59368165,13.21849679,8.917896849,0,0.525941623,0.810232166,1.031600531,1.09644982,1.409811593,1.573906485,1.466470553,1.544157715,0.913192637,0,307.0097859,203.8859245,13.35097683,177.3074969,-117.7503278,-8.936471473,129.7022889,321.6362523,22.2874483,0.633902189,0.420975942,0.027566592,0.366097811,-0.243126421,-0.018451688,148.6901453,98.74547695,6.466108821,85.87308513,-57.02851881,-4.328087582,0.09429877,0.091756934,0.761419906,1.171566528,484.3172828,0,1,0,1162.368046,34.09351911,10.51432073,1299.685049,36.05114491,10.91304739,2160.793155,46.48433237,12.92819017,1.86352926,1.86352926,1486.696583,1205.157523,288.349456,1.233611834,5.15588482,4.179503371,5.262002943,5.463280973,9.832268884,0.799700387,4.558190894,4.990939927,5.733390752,13.81992439,0.165439557,11.10213364,14.91342453,7.367694428,4.84714038,4.164343864,10.29665799,4.707581473,7.010234174,1.98505104,4.171292187,2.540631044,6.227528584,9.31E-04,0.107026723,5.99E-20,7.16E-60,1.77E-121,8.75E-205,8.53824032583994E-310,0,0,0,0,0,0,0.382827326,3.982741649,0.45776166,5.437163686,0.018083932,4.607866428,5.206656094,0.838013971,1.685839911,0.65528931,3.580363754,0.228964828,1.78090621,0.017113975,0.156875744,0.574088172,0.195747904,4.78E-05,7.54E-04,4.22E-22,5.04E-62,1.24E-123,6.16E-207,6.013552474655E-312,0,0,0,0,0,0,1.235108046,4.050111725,1.490699832,6.675201311,0.048161294,5.508166759,6.773501816,1.907140677,2.020402371,1.186139175,4.839661546,0.763370836,2.81246757,0.151713556,0.633713574,0.929649241,0.847292213,1.74E-04,0.007855156,4.40E-21,5.26E-61,1.30E-122,6.42E-206,6.266585325923E-311,0,0,0,0,0,0,4.302578128,4.880248682,5.39487947,13.13938392,0.156418175,10.55409581,14.17254227,6.874656569,4.543683137,3.883925551,9.845996369,4.29905191,6.677413811,1.770084802,3.804335443,2.404019689,5.653198994,8.58E-04,0.095358883,5.34E-20,6.38E-60,1.57E-121,7.79E-205,7.60741841175113E-310,0,0,0,0,0,0,1.820172041,4.137460325,2.212823289,7.665537391,0.068808775,6.252480449,7.972169672,2.719366655,2.342330101,1.605606886,5.73727854,1.242986905,3.531248481,0.323418972,1.062769903,1.187345252,1.466673192,2.77E-04,0.017062448,9.56E-21,1.14E-60,2.82E-122,1.39E-205,1.3611860710569E-310,0,0,0,0,0,0,5.504609912,5.456381619,7.004391357,16.52967714,0.198842101,13.30211097,17.82307771,9.299121735,6.095517199,5.27708657,12.01009865,6.372729008,8.256920643,2.888261173,5.667577989,3.06485914,8.5868522,0.001222509,0.156088417,8.74E-20,1.04E-59,2.58E-121,1.28E-204,0.00E+00,0,0,0,0,0,0,2.512831861,4.020325776,2.769809333,8.950748681,0.093601818,6.631488252,9.112879028,3.503837229,2.843035045,1.884885839,6.926487366,1.856171987,4.19709624,0.553121166,1.552650552,1.54053629,2.260997373,4.04E-04,0.029499241,1.65E-20,1.97E-60,4.87E-122,2.41E-205,2.35335248980964E-310,0,0,0,0,0,0,8.899120639,2.618983792,0.119826684,0.764665176,0.225038606,0.571466914,0.496083522,0.143344196,11.63793111,24.68682897,39.11751899,0.646997763,1.210894632,6.598822841,1.564567828,0.018685925,0.806497319,0.191218917,0.328124964,0.192290171,0.003485971,8.182076595,10.47684643,18.85184223,0.709745979,0.523901106,7.324549111,1.916441692,0.051174497,0.78824998,0.206242746,0.396639589,0.284370311,0.026145293,9.2921653,14.50997434,24.5204797,0.68237497,0.707155193,8.818866415,2.584722531,0.116374196,0.765529048,0.224368993,0.561677741,0.485082643,0.135203209,11.51996314,24.12140621,38.29404033,0.648293572,1.181963592,7.716106365,2.097908799,0.068450539,0.780787568,0.212285968,0.436740979,0.336003247,0.046777427,9.882465704,16.85946207,27.84998371,0.671181352,0.819521653,9.161427638,2.730024923,0.131082619,0.762021279,0.227075644,0.6041256,0.532167662,0.171538421,12.02253518,26.56968852,41.87072136,0.643031919,1.307831683,8.819495326,2.587130632,0.116165542,0.765395723,0.224522906,0.56184557,0.48633161,0.134718874,11.5227915,24.14224341,38.31560575,0.648093584,1.182896054 +UMLYSI0019,L,2-phenylindene,C1C2=CC=CC=C2C=C1C3=CC=CC=C3,aromatic,C15H12,4505-48-0,353435,PubChem,,931.3,0,2.9484,8.69306256,71.9508,34.401516,12,12,27,15,12,0,15,0,0,0,0,0,0,0,0,0,2176.154583,2597.775113,3609.660959,3304.03586,2574.672423,2036.980524,1681.820458,1090.624758,441.94181,6725.758459,8576.626726,12525.65128,12588.9692,10480.98306,8302.13778,6694.918428,4823.946716,2472.543155,193.729308,213.600356,350.9735,439.839056,421.8927,362.08632,271.106344,220.38972,154.240328,47.16885486,60.77383172,91.31437634,96.75079687,83.47120418,66.86105701,53.04785803,39.88948791,22.49723496,4120.927166,3992.974626,6776.128987,9036.477308,8989.053588,7970.238199,5841.530836,4811.39556,3570.400501,65.36111111,81.55555556,123.5555556,138.2222222,123.6666667,101.5,83.16666667,66.33333333,40,80.59831789,89.57845217,75.20126998,54.1645223,43.63851564,39.94079459,44.25843311,35.18144381,20.08826409,249.1021652,295.7457492,260.9510683,206.3765443,177.6437806,162.7870153,176.1820639,155.6111844,112.3883252,7.175159556,7.365529517,7.311947917,7.210476328,7.150723729,7.099731765,7.134377474,7.109345806,7.010924,1.746994624,2.09564937,1.902382841,1.586078637,1.414766173,1.311001118,1.395996264,1.286757675,1.022601589,152.6269321,137.6887802,141.1693539,148.1389723,152.3568405,156.2791804,153.7244957,155.2063084,162.2909319,2.420781893,2.812260536,2.574074074,2.265938069,2.096045198,1.990196078,2.188596491,2.139784946,1.818181818,0.07811699,-0.001076035,-0.02402369,-0.015958416,-0.017606237,0.019427133,0.006859278,-0.015535811,-0.006522258,807.1067267,47.82854677,-130.0338615,-276.508786,-216.7231025,130.0338615,7.473210432,-133.0231457,-11.95713669,1500.849423,88.93922506,-241.8035181,-514.1798949,-403.0058636,241.8035181,13.89675392,-247.3622197,-22.23480627,0.158106667,0.009369284,-0.025472741,-0.054166173,-0.042454568,0.025472741,0.001463951,-0.026058321,-0.002342321,6.709495232,0.397599717,-1.080974232,-2.298623367,-1.80162372,1.080974232,0.062124956,-1.105824214,-0.099399929,36.44608459,2.159767976,-5.871869184,-12.48615861,-9.78644864,5.871869184,0.337463746,-6.006854682,-0.539941994,5.606995885,-0.054221917,-1.297210791,-1.497904283,-1.884011584,1.634316415,0.895709496,-0.932517909,-0.570720927,0.002893222,-3.71E-05,-5.00E-04,-2.62E-04,-2.98E-04,3.81E-04,1.81E-04,-5.01E-04,-2.96E-04,29.89284173,1.649260233,-2.709038782,-4.532930918,-3.673272924,2.549683559,0.196663432,-4.291069216,-0.543506213,55.58701566,3.06686983,-5.037573295,-8.429178605,-6.830607857,4.741245454,0.36570405,-7.979426442,-1.010673012,0.005855802,3.23E-04,-5.31E-04,-8.88E-04,-7.20E-04,4.99E-04,3.85E-05,-8.41E-04,-1.06E-04,0.248499823,0.013710335,-0.022520296,-0.03768235,-0.030535995,0.021195573,0.001634867,-0.035671749,-0.004518179,1.349854985,0.074474758,-0.122330608,-0.204691125,-0.165872011,0.11513469,0.008880625,-0.193769506,-0.024542818,0.207666514,-0.001869721,-0.027025225,-0.024555808,-0.0319324,0.03204542,0.023571303,-0.030081223,-0.02594186,-0.012824685,-0.172988303,-0.090422853,-0.103141349,0.131660895,0.062389721,-0.173216996,-0.102469251,0.055172414,-0.090625,-0.151639344,-0.122881356,0.085294118,0.006578947,-0.143548387,-0.018181818,0.055172414,-0.090625,-0.151639344,-0.122881356,0.085294118,0.006578947,-0.143548387,-0.018181818,0.055172414,-0.090625,-0.151639344,-0.122881356,0.085294118,0.006578947,-0.143548387,-0.018181818,0.055172414,-0.090625,-0.151639344,-0.122881356,0.085294118,0.006578947,-0.143548387,-0.018181818,0.055172414,-0.090625,-0.151639344,-0.122881356,0.085294118,0.006578947,-0.143548387,-0.018181818,-0.00900348,-0.130137615,-0.118246353,-0.153767688,0.154311927,0.113505553,-0.144853507,-0.124920767,0.885074474,1.006492729,0.969044617,1.015199419,0.799494444,0.940784927,1.338376825,1.358224847,0.806896552,0.975,1.086885246,1.090677966,0.917647059,0.975,1.132258065,1.063636364,0.806896552,0.975,1.086885246,1.090677966,0.917647059,0.975,1.132258065,1.063636364,0.806896552,0.975,1.086885246,1.090677966,0.917647059,0.975,1.132258065,1.063636364,0.806896552,0.975,1.086885246,1.090677966,0.917647059,0.975,1.132258065,1.063636364,0.806896552,0.975,1.086885246,1.090677966,0.917647059,0.975,1.132258065,1.063636364,0.897209744,0.971422018,1.007231163,1.094862385,0.803151646,0.923684211,1.263142942,1.264653878,76.92615918,38.46307959,59.92071634,76.92615918,5.128410612,38.46307959,-4.97E-14,0.048424588,0.003228306,-4.541621371,122.5537364,8.170249091,7.212824397,76.92615918,38.46307959,59.92071634,76.92615918,5.128410612,38.46307959,-4.97E-14,0.048424588,0.003228306,-4.541621371,122.5537364,8.170249091,7.212824397,76.92615918,38.46307959,59.92071634,76.92615918,5.128410612,38.46307959,-4.97E-14,0.048424588,0.003228306,-4.541621371,122.5537364,8.170249091,7.212824397,76.92615918,38.46307959,59.92071634,76.92615918,5.128410612,38.46307959,-4.97E-14,0.048424588,0.003228306,-4.541621371,122.5537364,8.170249091,7.212824397,76.92615918,38.46307959,59.92071634,76.92615918,5.128410612,38.46307959,-4.97E-14,0.048424588,0.003228306,-4.541621371,122.5537364,8.170249091,7.212824397,76.92615918,38.46307959,59.92071634,76.92615918,5.128410612,38.46307959,-4.97E-14,0.048424588,0.003228306,-4.541621371,122.5537364,8.170249091,7.212824397,88.54062961,43.67762856,69.61097823,88.4914938,5.89943292,43.67762856,-0.147407407,0.013170516,8.78E-04,-6.494661891,112.2304048,7.48202699,7.080830916,0,11.85,12.15018815,-0.207797471,0.0924945,6.699743125,10.23732346,17,29,22,16,4,7,1,0,0,13,13.118484,3.953171576,3.71709061,3.212144266,2.714244394,2.619181914,2.595156522,2.090248653,1.999133014,1.971255227,1.934076485,1.549997065,1.166776577,1.082250302,1.012005145,0.881592561,0.531908723,3.96112106,3.72820147,3.228547365,2.737084106,2.645815032,2.613174355,2.11514706,2.053305811,1.9444522,1.907065764,1.504620514,1.104380196,1.007167592,0.940642067,0.797000431,0.405548626,3.997483925,3.779048915,3.305418639,2.846625742,2.771820215,2.70310514,2.296564443,2.243553036,1.873183591,1.834562326,1.384809709,0.937007241,0.798620231,0.75272952,0.559589218,0.008283831,3.967045076,3.736485261,3.240875325,2.754400364,2.665925019,2.626989867,2.134496899,2.093637578,1.928107042,1.890539801,1.476989985,1.065971709,0.960278991,0.897000964,0.743851722,0.322744618,4.016211539,3.805184907,3.345903511,2.905230439,2.838078588,2.753921142,2.414389145,2.3178183,1.8529541,1.813715255,1.351273908,0.890434393,0.738564276,0.701692056,0.491413451,0.122299473,3.947382301,3.773100665,3.256345117,2.779745606,2.742360059,2.639297767,2.152113168,2.089637631,1.908518106,1.884061677,1.487146813,1.047137916,0.871754989,0.836708281,0.681494187,0.246030334,0,0,0,10,4,0,1,0,0,0,0,0.096225045,0.377033725,0.478249103,0,0,0.051031036,0.144293876,0.161673471,0.666666667,0,0.166666667,0,0.370790812,0,0.068041382,0,1.799113742,2.919189316,3.800398277,0.847801343,1.165414368,1.270101213,10.08757567,7.43265299,6.434190634,5.593990882,4.769493308,3.849603133,2.385292823,1.744246011,0.672505045,0.437214882,0.279747419,0.180451319,0.116329105,0.076992063,0.048679445,0.032910302,8.480609473,5.272490922,3.911191796,2.910308548,2.11753903,1.430309277,0.774724314,0.47254974,0.565373965,0.310146525,0.170051817,0.093880921,0.051647293,0.028606186,0.0158107,0.008916033,18.25096682,26.32702112,25.35294118,25.56,19.79132695,198.853782,0.675961734,0.975074856,0.938997821,0.946666667,0.733012109,7.36495489,3.49169,62.605,120.3099463,168.6926161,240.6198925,16.04132617,120.3099463,0.057537025,0.003835802,-4.282989939,78.80335164,5.253556776,6.550433294,211,0,0,0,14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,9,0,0,1,1,10,0,0,0,0,0,0,0,0,0,0,1,0,1,9,0,0,0,1,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,27.09703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,3.922777778,0,0,0.535555556,0.422222222,4.345,0,0,0,0,0,0,0,0,0,0,1.06962963,0,2.296296296,19.21906841,0,0,0,1.427592593,4.154079743,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.341388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.422222222,0,0,0.535555556,0.422222222,0.422222222,0,0,0,0,0,0,0,0,0,0,1.06962963,0,2.296296296,2.061660998,0,0,0,1.427592593,1.341388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.296296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.443055556,0,0,0.535555556,0.422222222,0.443055556,0,0,0,0,0,0,0,0,0,0,1.06962963,0,2.296296296,2.210092593,0,0,0,1.427592593,1.441067649,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,28.16666667,1.877777778,0.535555556,2.296296296,0.1875,1.06962963,7.534551291,0.43037037,0.296296296,3.030729403,0.43037037,0.296296296,3.030729403,7.5,0.5,0,0,0.52222,0.7,0.44634,0.44634,0.7,0.07588,0.07588,0,0,0.71429,0,0,0,0.26667,0,22,1.46667,8.5,0.56667,13.5,0.9,5,0.33333,0,0,7.9502,0.53001,19.58834,11.63813,0.77588,2.98863,0.19924,7.43263,4.444,0.29627,-0.01863,-0.00124,0.23937,0.01596,0.555555556,79,0,0,0,0,0,0,0.066666667,0.99107606,2.071977802,2.696227912,3.824538781,4.356558335,4.458591206,26.75905362,55.94340066,72.79815363,103.2625471,117.6270751,120.3819626,0.208433125,0.435757481,0.567043471,0.804338437,0.916227426,0.93768595,3.763811442,2.6829097,2.05865959,0.930348721,0.398329167,0.296296296,0.191700278,0.400775215,0.521521668,0.739766782,0.842673411,0.862409262,6.177348133,15.97254229,23.46354361,30.1414076,32.61338857,31.90198467,48.63944534,45.4390763,35.56510841,24.46181983,20.1237551,20.81982871,10.17301038,4.472589792,2.097814776,0,14,0,3.11,1.5953,0,0,0,0,16.42595596,17.04569429,0,3.301927249,0,0,0,0,0,0,0,0,0,0,0,0.003,0.181,0.184,1.181,1.648,7.815,23,31,41,50,49,53,55,46,40,420,3.218875825,3.80666249,4.40060302,4.980176087,5.503296947,5.644784134,6.064874731,6.431582661,6.623774681,6.864652039,8.186890633,8.553645833,0.5,3,0,0,1,2,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,4,0,1,2,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.058823529,1,0.058823529,0,4,8,1,2,1.333333333,0.729166667,0.538333333,0.260555556,0.04585034,0.043438209,0.009566327,0,0,0.117647059,0.057971014,0.036458333,0.035888889,0.021712963,0.004585034,0.007239701,0.004783163,0,0,0.286286157,49.56513314,75.17719011,99.13026628,6.608684419,49.56513314,0.067935119,0.004529008,-4.033803249,122.7086,8.180573336,7.214718659,0,190.6716411,4.906890596,4.394449155,5.241747015,6.107022888,6.974478911,7.848933726,8.724044746,9.60231489,10.48080292,11.36085761,102.7346519,3.555348061,0,4.844187086,2.397895273,6.343880434,4.727387819,7.931284762,6.842683282,9.560645069,9.840441251,192.0939004,7.114588903,31.37265134,2.091510089,0,0,0,361,20,4.466,80,1.262702533,2.240333971,3.121508547,4.050032402,4.910948598,6.020989992,7.072111425,8.298395305,9.529294454,10.71729505,121.8443783,176.7048717,176.841845,190.3565222,218.9194005,292.0583968,271.8541615,173.0247447,52.58080543,10.88945768,393.8442832,604.3527081,666.721254,753.0602423,860.8486848,1128.136336,1170.053567,960.4238296,619.7630289,333.1336604,9.328418561,16.41074017,22.55992994,29.01543212,34.9909569,43.08561965,50.45075502,58.28156592,65.56614423,72.00376099,2.756895648,4.37094473,5.08938842,5.918754757,6.802007561,8.798918961,9.535969486,8.685120512,6.824174541,4.765047686,172.1201044,314.3665364,458.6315038,613.4266331,758.7388602,916.5928978,1084.997503,1338.830918,1639.156018,1981.817037,3.647293964,5.874487489,7.209245178,8.661429225,10.16137036,13.63549208,15.70242123,15.3711247,13.39714583,10.71729505,0.563076726,0.898513967,1.057249686,1.236811121,1.423808303,1.836742702,2.005313208,1.860015841,1.508016101,1.097451013,302.5411321,209.6530946,17.81471839,190.7675198,-132.1969036,-10.38508004,111.7736124,341.8499982,28.19979842,0.613289734,0.424993751,0.036112722,0.386710266,-0.267980103,-0.021051891,149.246158,103.4236855,8.78815471,94.10726799,-65.21387627,-5.123049833,0.090408871,0.089069487,2.262033264,1.54061339,493.3086519,0,1,0,1298.566839,36.0356329,10.90991673,1416.934395,37.64218902,11.23181429,2390.179338,48.8894604,13.37037216,1.988544187,1.988544187,1775.891016,1635.715443,211.891992,1.085696796,8.381114357,7.719571786,5.275166992,5.66851495,10.7339779,0.893613758,4.163554859,4.714508877,5.850823538,11.39568111,10.3662636,9.93451673,7.577759778,10.83238897,9.956114033,6.103222808,6.880757423,3.700965719,4.732094339,7.741395508,4.325673942,2.42081527,2.174005564,2.102288625,0.819700748,0.022063946,9.73E-04,3.30E-26,2.46E-70,3.55E-136,9.91E-224,0,0,0,0,0,0.349569394,4.714465655,0.473864805,4.093805373,1.738670643,5.142510714,1.592241432,3.784440528,2.117688253,3.227632353,2.194423773,0.517873519,1.136285926,2.103340387,2.710345988,0.611281999,0.146800979,0.050523738,0.005826969,1.55E-04,6.85E-06,2.32E-28,1.73E-72,2.50E-138,6.98E-226,0,0,0,0,0,1.128085139,4.714468776,1.512628977,4.788944514,3.381571289,6.10500383,2.574498161,5.033866772,3.269640481,3.670009881,2.736130459,1.028166131,1.848890141,2.935518861,3.040065499,0.86034954,0.497379293,0.246060351,0.060299489,0.001619369,7.14E-05,2.42E-27,1.81E-71,2.61E-137,7.27E-225,0,0,0,0,0,3.930065402,4.714504214,5.500852823,10.66730432,9.796282134,9.63561446,7.1265981,10.33398228,9.317750368,5.876029435,6.447094785,3.456768297,4.50439907,7.283503357,4.226783533,2.267479925,2.027537344,1.89769469,0.730375619,0.019658578,8.66E-04,2.94E-26,2.19E-70,3.17E-136,8.83E-224,0,0,0,0,0,1.662511791,4.714472611,2.243163313,5.502285494,4.544459684,6.770374208,3.319903624,5.947739171,4.193451205,4.016620481,3.231179771,1.41986993,2.344417851,3.60140265,3.266408604,1.067045202,0.756810858,0.446584286,0.130846284,0.003517485,1.55E-04,5.26E-27,3.92E-71,5.67E-137,1.58E-224,0,0,0,0,0,5.028061224,4.714528434,7.17022118,14.41199698,12.52411643,11.04750653,9.344415831,12.75376577,12.49965317,7.002496616,8.653059759,4.661130273,5.58373403,9.564765552,4.691821968,3.03686733,2.741704336,2.949490955,1.195281189,0.032178191,0.00141832,4.81E-26,3.59E-70,5.18E-136,1.45E-223,0,0,0,0,0,2.282574958,4.375286976,2.940586454,6.36792299,5.785003667,7.19451067,4.056185223,6.542481435,5.357701207,4.533901072,3.798723238,1.919649538,2.930190091,4.728513566,3.906937482,1.417555949,1.101604881,0.72797386,0.23266829,0.006257413,2.76E-04,9.36E-27,6.98E-71,1.01E-136,2.81E-224,0,0,0,0,0,9.832346469,1.794747715,0.406481923,0.81707602,0.149145001,0.545027078,0.544990474,0.425017034,12.03357611,22.37278496,41.57937738,0.72561403,1.515034585,8.329592246,0.917840721,0.186839974,0.882907702,0.097287913,0.391159732,0.142282031,0.088122761,9.434272941,9.373029091,20.23573828,0.824361554,0.621564524,8.783380624,1.182567562,0.25324077,0.859498798,0.115720295,0.434939696,0.236365918,0.163470266,10.21918896,12.91072541,25.76031131,0.789248197,0.834775879,9.776410959,1.762098998,0.398315144,0.819012667,0.147618733,0.538843587,0.525321559,0.407997305,11.9368251,21.82296721,40.62156888,0.728519,1.472162452,9.035329132,1.329583856,0.290069738,0.84799097,0.124785172,0.460249245,0.298882928,0.215173323,10.65498273,15.01977534,29.1594319,0.771986454,0.974305495,10.01722652,1.9026617,0.433472651,0.810890787,0.154019762,0.56571597,0.612575154,0.483732087,12.35336087,24.22633877,44.84142535,0.716336181,1.662023211,9.80317048,1.76232622,0.398422732,0.819394558,0.147303418,0.541797171,0.525482592,0.408353894,11.96391943,21.88434117,40.73156487,0.729091838,1.475633657 +UMLYSI0020,L,"4,4’-dimethylbiphenyl",CC1=CC=C(C=C1)C2=CC=C(C=C2)C,aromatic,C14H14,613-33-2,11941,UML,,899.9,0,3.3084,10.94551056,68.0354,33.975102,12,12,28,14,14,0,14,0,0,0,0,0,0,0,0,0,2033.92259,2333.461047,3157.73474,3036.673602,2183.281644,1729.318426,1380.169064,967.526621,494.434418,6364.409047,7959.066155,11181.04606,11878.1574,9710.060921,7381.049466,5702.064264,4536.651814,3055.824599,199.62572,212.754588,347.709008,418.837896,454.216368,366.362344,242.189216,206.929076,209.584712,45.26918067,57.42312034,82.94365225,92.06624678,80.66820164,61.27923292,45.91190082,37.99383782,28.72986382,4363.968114,4045.631009,7014.089084,8534.380735,9992.626423,8334.992651,5249.901924,4436.093343,4922.5613,65.11111111,80.11111111,117.3333333,138.8888889,130.8888889,98,70,61.44444444,50.66666667,72.6400925,80.46417403,65.78614042,52.35644141,34.11377569,33.25612358,40.59320776,33.36298693,16.48114727,227.3003231,274.4505571,232.9384596,204.7958172,151.7197019,141.943259,167.7077725,156.4362694,101.86082,7.12949,7.336365103,7.243937667,7.221343034,7.09713075,7.045429692,7.123212235,7.135485379,6.986157067,1.616756452,1.980107598,1.727992755,1.587349082,1.260440651,1.178446787,1.350350024,1.310132339,0.957662127,155.8560041,139.5045176,146.1268559,147.1444954,156.1347879,160.2883202,154.4088801,152.968736,164.0853767,2.325396825,2.762452107,2.444444444,2.394636015,2.045138889,1.884615385,2.058823529,2.118773946,1.688888889,0.069599077,-0.002039389,-0.007940618,-0.024511691,-0.022541383,0.018912446,0.006777312,-0.01313715,-0.004482634,847.462063,30.26650225,121.066009,-423.7310315,-242.132018,242.132018,-60.5330045,-332.9315247,-60.5330045,1575.891894,56.28185336,225.1274134,-787.945947,-450.2548269,450.2548269,-112.5637067,-619.100387,-112.5637067,0.166012,0.005929,0.023716,-0.083006,-0.047432,0.047432,-0.011858,-0.065219,-0.011858,7.044969994,0.251606071,1.006424285,-3.522484997,-2.01284857,2.01284857,-0.503212142,-2.767666783,-0.503212142,38.26838882,1.366728172,5.466912688,-19.13419441,-10.93382538,10.93382538,-2.733456344,-15.03400989,-2.733456344,6.047619048,-1.049319728,1.696145125,-2.130385488,-2.315192744,1.451247166,0.354875283,-2.287414966,-1.27324263,0.002485681,-7.03E-05,-1.65E-04,-4.23E-04,-3.52E-04,3.64E-04,1.99E-04,-4.53E-04,-1.49E-04,30.26650225,1.043672491,2.522208521,-7.30570744,-3.783312781,4.656384962,-1.780382485,-11.48039741,-2.017766817,56.28185336,1.940753564,4.690154447,-13.58527495,-7.03523167,8.658746671,-3.310697256,-21.34828921,-3.752123557,0.005929,2.04E-04,4.94E-04,-0.001431138,-7.41E-04,9.12E-04,-3.49E-04,-0.002248931,-3.95E-04,0.251606071,0.008676071,0.020967173,-0.0607325,-0.031450759,0.038708626,-0.014800357,-0.095436786,-0.016773738,1.366728172,0.047128558,0.113894014,-0.329899904,-0.170841022,0.210265873,-0.080395775,-0.518414134,-0.091115211,0.215986395,-0.036183439,0.035336357,-0.036730784,-0.036174887,0.027908599,0.010437508,-0.078876378,-0.042441421,-0.028291546,-0.066553001,-0.170019926,-0.141695198,0.146318385,0.08019238,-0.182245873,-0.060112741,0.034482759,0.083333333,-0.24137931,-0.125,0.153846154,-0.058823529,-0.379310345,-0.066666667,0.034482759,0.083333333,-0.24137931,-0.125,0.153846154,-0.058823529,-0.379310345,-0.066666667,0.034482759,0.083333333,-0.24137931,-0.125,0.153846154,-0.058823529,-0.379310345,-0.066666667,0.034482759,0.083333333,-0.24137931,-0.125,0.153846154,-0.058823529,-0.379310345,-0.066666667,0.034482759,0.083333333,-0.24137931,-0.125,0.153846154,-0.058823529,-0.379310345,-0.066666667,-0.167526473,0.163604549,-0.170060639,-0.167486877,0.129214617,0.048324842,-0.36519142,-0.196500437,0.969016812,0.961609859,1.182993445,1.164202512,0.938507101,1.027935302,1.15987124,0.936246544,0.931034483,0.883928571,1.197044335,1.084821429,0.815934066,1.021008403,1.330049261,1.028571429,0.931034483,0.883928571,1.197044335,1.084821429,0.815934066,1.021008403,1.330049261,1.028571429,0.931034483,0.883928571,1.197044335,1.084821429,0.815934066,1.021008403,1.330049261,1.028571429,0.931034483,0.883928571,1.197044335,1.084821429,0.815934066,1.021008403,1.330049261,1.028571429,0.931034483,0.883928571,1.197044335,1.084821429,0.815934066,1.021008403,1.330049261,1.028571429,1.163182188,0.723425197,1.146076568,1.185900591,0.829951545,0.846225104,1.368449633,1.207086614,69.84138344,34.92069172,53.69020199,69.84138344,4.988670246,34.92069172,7.11E-15,5.55E-17,3.97E-18,-52.40192685,78.53474721,5.609624801,6.108957633,69.84138344,34.92069172,53.69020199,69.84138344,4.988670246,34.92069172,7.11E-15,5.55E-17,3.97E-18,-52.40192685,78.53474721,5.609624801,6.108957633,69.84138344,34.92069172,53.69020199,69.84138344,4.988670246,34.92069172,7.11E-15,5.55E-17,3.97E-18,-52.40192685,78.53474721,5.609624801,6.108957633,69.84138344,34.92069172,53.69020199,69.84138344,4.988670246,34.92069172,7.11E-15,5.55E-17,3.97E-18,-52.40192685,78.53474721,5.609624801,6.108957633,69.84138344,34.92069172,53.69020199,69.84138344,4.988670246,34.92069172,7.11E-15,5.55E-17,3.97E-18,-52.40192685,78.53474721,5.609624801,6.108957633,69.84138344,34.92069172,53.69020199,69.84138344,4.988670246,34.92069172,7.11E-15,5.55E-17,3.97E-18,-52.40192685,78.53474721,5.609624801,6.108957633,76.41709662,38.06569117,59.04199512,76.36267485,5.454476775,38.06569117,-0.095238095,7.22E-16,5.15E-17,-48.81099775,72.75733389,5.196952421,6.001981595,0,11.85,12.15017245,-0.206039424,0.094182093,5.969361328,9.636357026,15,29,23,17,3,6,0,0,0,12,15.304898,3.903446863,3.660698279,3.026722901,2.662758537,2.619181914,2.619181914,2.134896065,1.862568247,2.047470674,1.87114112,1.448709342,1.304024701,1.082250302,1.082250302,0.816533339,0.591548546,3.911933341,3.672893327,3.047349462,2.702631078,2.645815032,2.645815032,2.191558699,1.913678589,2.023232878,1.835482574,1.374298107,1.211100973,1.007167592,1.007167592,0.733445357,0.484098682,3.950862523,3.729318586,3.152405694,2.889988342,2.771820215,2.771820215,2.421284507,2.130298664,1.95900863,1.741207513,1.176240604,0.928807593,0.798620231,0.798620231,0.463087176,0.172726508,3.918262793,3.682016041,3.063295057,2.732802666,2.665925019,2.665925019,2.23234103,1.950784422,2.008495223,1.813799195,1.328343529,1.150802519,0.960278991,0.960278991,0.678925062,0.415998001,3.970991934,3.758735534,3.212160056,2.984986401,2.838078588,2.838078588,2.520985129,2.233782283,1.940718161,1.714548082,1.123518633,0.841167101,0.738564276,0.738564276,0.366278155,0.076259533,3.909408897,3.690127232,3.049781964,2.776832903,2.728556664,2.728556664,2.274644814,1.979567338,2.011452964,1.797052721,1.304422177,1.078660623,0.884311307,0.884311307,0.64048502,0.363821966,0,0,0,8,4,2,0,0,0,0,0,0,0.166666667,0.262891712,0,0,0,0.055555556,0.083333333,0.910683603,0,0.083333333,0,0.5,0,0.027777778,0,1.759305623,2.198911849,2.88035495,0.769800359,0.788675135,0.884900179,9.966255326,6.754020195,6.039903819,4.7876937,3.514535198,3.006134615,1.839914836,1.040342345,0.71187538,0.450268013,0.301995191,0.199487238,0.125519114,0.083503739,0.057497339,0.037155084,8.618802154,4.89273441,3.732050808,2.436467026,1.492022581,1.092236335,0.581338979,0.267188949,0.615628725,0.326182294,0.18660254,0.101519459,0.053286521,0.030339898,0.018166843,0.009542462,17.79279463,27.21485798,26.07843137,26.32,19.58988144,208.3966479,0.635456951,0.971959213,0.931372549,0.94,0.699638623,7.442737425,3.40964,59.158,84.29344593,119.3438371,168.5868919,12.04192085,84.29344593,2.22E-16,1.59E-17,-50.46111474,87.51392979,6.250994985,6.26051717,200,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,8,0,0,0,0,0,0,0,0,2,0,0,0,0,8,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.44658436,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390355726,0,0,0,0,3.390355726,0,0,0,0,0,0,0,0,4.220082305,0,0,0,0,17.25869237,0,0,0,0,5.187891996,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.287592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.418315972,0,0,0,0,0.418315972,0,0,0,0,0,0,0,0,2.110041152,0,0,0,0,2.148006425,0,0,0,0,1.287592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.429272959,0,0,0,0,0.429272959,0,0,0,0,0,0,0,0,2.110041152,0,0,0,0,2.166666667,0,0,0,0,1.306353406,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26.66666667,1.904761905,0.429272959,2.166666667,0.18441358,1.287592593,8.021002972,0.379074074,0.166666667,2.957549341,0.379074074,0.166666667,2.957549341,7,0.5,0,0,0.5,0.7,0.44,0.44,0.7,0.06,0.06,0,0,0.71429,0,0,0.14286,0.28571,0,19.5,1.39286,7.5,0.53571,12,0.85714,4.5,0.32143,0,0,8.00144,0.57153,18.52395,10.5225,0.75161,2.79993,0.19999,6.75399,3.95407,0.28243,0.16001,0.01143,0.33201,0.02371,0.428571429,43,0,0,0,0,0,0,0.142857143,1,2.324862958,2.610577243,3.182005815,3.324862958,3.182005815,28,65.09616281,73.09616281,89.09616281,93.09616281,89.09616281,0.208014598,0.483605433,0.543038175,0.661903659,0.69162003,0.661903659,3.807354922,2.482491964,2.196777679,1.625349107,1.482491964,1.625349107,0.194959022,0.453253008,0.508955586,0.620360741,0.64821203,0.620360741,6.503912516,16.98736798,20.41593941,24.13246085,22.70612514,22.56215014,49,41.56538167,36.02923363,28.90989684,30.97544532,31.49183245,10.51555556,4.68,2.75,0,12,0,3,1.606,0.111111111,4.015779399,2.249365301,0,9.907484227,14.05993835,0,1.894848512,0,0,0,0,0,0,0,0,0,0,0,0.003,0.211,0.196,0.971,1.544,7.26,20,24,28,36,32,28,24,24,16,261,3.091042453,3.688879454,4.226833745,4.751432693,5.332114746,5.410529357,5.668371163,5.901266279,6.196030346,6.24140216,7.758466949,8.966714559,0.444444444,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.066666667,3,0.2,0,5,9,0.8,3,1.777777778,0.5,0.444444444,0.361111111,0.241632653,0.0625,0.065507685,0,0,0.2,0.088888889,0.027777778,0.037037037,0.036111111,0.030204082,0.0125,0.032753842,0,0,0.465272739,46.58448714,71.45177017,93.16897429,6.654926735,46.58448714,3.33E-16,2.38E-17,-49.89346359,88.94801047,6.353429319,6.283272866,0,188.3685739,4.807354922,4.262679877,5.068904202,5.905361848,6.732210706,7.571988449,8.405367376,9.246382963,10.0824284,10.92375985,97.19908367,3.433987204,0,4.709530201,0,6.188264123,0,7.748891337,0,9.34757739,9.576995349,182.1095504,6.503912516,28.31084503,2.022203216,0,0,0,315,18,4.702,70,1.241215695,2.185919309,3.060916572,3.849268807,4.757982428,5.726682727,6.832789778,7.45181111,8.759377221,10.105291,108.4910356,154.0724643,166.641765,142.8987756,172.1986979,249.9898957,241.2247991,133.8725158,112.2057896,122.3456474,360.7871531,535.7556044,644.3104212,618.2501851,711.6711436,1012.029755,1097.860421,808.0344077,700.2685111,1159.446897,9.133586751,15.88375593,22.14031238,27.40100247,33.58986972,40.91568036,48.78496671,52.24072046,60.35560426,71.92574259,2.566986513,3.931017948,4.962845425,5.064261024,5.817712051,8.052856998,9.101475573,7.488329945,6.91180746,11.25268929,171.4383991,316.055154,447.8271261,595.0223934,757.9835003,875.2904579,1043.597729,1208.66821,1503.556636,1547.347903,3.521489976,5.517298873,7.455245089,8.125214824,9.211193365,12.2044848,14.65036678,13.0529223,12.10518601,20.210582,0.525968828,0.810749244,1.032355401,1.066169963,1.226313056,1.686747306,1.918605762,1.609803644,1.506325257,2.42526984,293.33836,194.821021,13.01487836,152.2743704,-101.1332043,-7.639067647,141.0639897,295.9542253,20.653946,0.658280924,0.437198059,0.029206702,0.341719076,-0.226953131,-0.01714284,130.7153076,86.81472711,5.79959548,67.85539795,-45.06624332,-3.404065792,0.0939092,0.087725951,1.157147366,1.12009832,445.6127304,0,1,0,1161.354801,34.07865609,10.51126471,1298.671805,36.03708929,10.91021068,2144.708296,46.31099541,12.89603126,2.776258276,2.776258276,1656.431151,1486.634027,176.6088269,1.114215819,9.379096049,8.417665488,5.113110534,5.969602143,10.600093,0.775678302,4.558094811,4.669282833,5.80958578,12.39120406,0.136940224,11.55194337,15.50426588,11.64815934,2.72644355,4.504600566,13.81530325,4.394609983,3.753713551,1.360971811,4.721198391,5.948547314,3.066309154,0.019654175,2.116528056,5.309569001,1.57E-07,7.20E-36,7.87E-86,1.72E-157,7.35E-251,0,0,0,0,0,0.382731243,3.743780048,0.463713842,5.464394052,0.012867494,4.73673778,6.221110345,1.468982576,0.670896622,2.232845908,2.079363619,0.438004799,0.310917529,1.298069218,0.426048093,0.217131575,0.021597008,0.019654172,0.177726952,0.037396115,1.10E-09,5.07E-38,5.54E-88,1.21E-159,5.17E-253,0,0,0,0,0,1.235011963,3.805624254,1.511114074,6.502573989,0.038111434,5.669156875,7.67987628,3.188418941,0.85600887,2.518785191,4.253492174,0.9796935,1.006099422,1.302272562,1.301185425,0.886345959,0.22505165,0.019654172,0.57347723,0.389693317,1.15E-08,5.29E-37,5.77E-87,1.26E-158,5.39E-252,0,0,0,0,0,4.302482045,4.567670832,5.466818149,11.834229,0.12931559,10.97244509,14.78167151,10.89822485,2.51765718,4.302634724,13.01850392,4.058309122,3.540271384,1.354065681,4.457688317,5.420546699,2.732026762,0.019654174,1.997835914,4.730730655,1.40E-07,6.42E-36,7.01E-86,1.54E-157,6.55E-251,0,0,0,0,0,1.820075958,3.885808268,2.243128466,7.326813882,0.05546494,6.445433747,8.810767611,4.47515982,1.052701236,2.767858407,5.811709506,1.430508537,1.485566551,1.307722357,1.902413183,1.494405807,0.48884043,0.019654172,0.845147496,0.846465008,2.50E-08,1.15E-36,1.25E-86,2.75E-158,1.17E-251,0,0,0,0,0,5.50451383,5.09654753,7.096295927,14.60435346,0.165203731,13.88181722,18.35488798,14.56876995,3.593665886,5.323796783,16.85443433,5.746601847,4.547032972,1.390011139,5.697498025,8.104610854,4.471921304,0.019654176,2.55599178,7.743506126,2.28E-07,1.05E-35,1.15E-85,2.51E-157,1.07E-250,0,0,0,0,0,2.512750917,3.713038871,2.867973327,8.47810838,0.076078432,7.226761967,10.11721926,5.745625799,1.259221163,2.944832847,7.174401054,2.011903538,1.866088591,1.448090037,2.611666618,2.123098942,0.845153234,0.021668725,1.166796511,1.463451342,4.32E-08,1.98E-36,2.17E-86,4.75E-158,2.02E-251,0,0,0,0,0,11.16751391,1.813713928,0.119793437,0.852415524,0.138440652,0.545535758,0.503422041,0.143525095,13.10102128,21.80974142,37.33713989,0.778623286,1.192482894,8.144323663,0.951068794,0.01870117,0.893596664,0.10435144,0.290149425,0.138425452,0.003495818,9.114093627,7.91590657,17.17485595,0.840394996,0.432070695,9.115431208,1.228167557,0.051174743,0.876924466,0.118152411,0.363467396,0.230838557,0.026183467,10.39477351,11.72460788,22.6922968,0.815386699,0.620489421,11.06431513,1.784266957,0.116342675,0.853403728,0.137622623,0.535499808,0.487207823,0.135373673,12.96492476,21.23653029,36.4982563,0.780105592,1.158081304,9.631827416,1.375517454,0.068442549,0.869629134,0.124191392,0.405815051,0.289551472,0.046839547,11.07578742,14.00211746,25.98468287,0.8044437,0.74220607,11.50396691,1.909718154,0.13104372,0.849331655,0.140993458,0.578902436,0.558127469,0.171755953,13.54472878,23.72711364,40.15078574,0.773997482,1.308785858,11.06369156,1.78503551,0.116133719,0.853359842,0.137682582,0.535439453,0.487627634,0.13488762,12.96486079,21.24125278,36.49964796,0.780039764,1.157954707 +UMLYSI0021,L,2-methylbiphenyl,CC1=CC=CC=C1C2=CC=CC=C2,aromatic,C13H12,643-58-3,12563,PubChem,,863.3,0,2.862,8.191044,63.7534,30.881516,12,12,25,13,12,0,13,0,0,0,0,0,0,0,0,0,1887.626341,2164.98275,2854.051218,2798.600969,2247.790789,1792.816378,1015.024589,302.758009,31.326624,5878.724656,7306.076021,10126.02441,10629.9988,9227.571914,7789.715465,5222.782852,2204.444976,447.0594438,178.648276,190.978808,305.354952,374.511716,372.021844,348.60196,302.185076,180.292132,61.264512,41.59105486,52.40713172,74.91846922,81.70283101,73.66354544,63.95898263,46.2252127,21.93139948,5.339378954,3867.338453,3612.591558,6052.624868,7737.358954,7906.261929,7589.469069,6929.555158,4368.194405,1600.66866,60.33333333,74.22222222,106.7777778,120.3333333,114.3333333,105,80.66666667,41,11,75.50505364,83.26856731,67.95360043,53.8192494,43.22674594,36.58808935,23.605223,11.64453881,3.480736,235.1489862,281.0029239,241.0958193,204.4230538,177.453306,158.973785,121.4600663,84.78634522,49.67327153,7.14593104,7.345338769,7.270356,7.202148385,7.154266231,7.114325714,7.027559907,6.934312769,6.807168,1.663642194,2.015658912,1.783773077,1.571208289,1.416606643,1.30528536,1.075004947,0.843515365,0.593264328,154.6935381,138.9458291,144.1101159,148.7953645,152.0434986,154.8871239,161.1524455,168.0074771,177.8520733,2.413333333,2.854700855,2.542328042,2.314102564,2.198717949,2.142857143,1.875968992,1.576923077,1.222222222,0.071742712,-0.003341687,-0.023388355,-0.003282898,-0.003063336,-0.009542407,-0.013092223,0.003210517,0.012814405,755.4518962,27.89360847,-34.28589375,-142.7610378,-249.2991257,-207.0713018,-64.5039696,90.84793315,168.7175901,1404.79506,51.86935606,-63.75608349,-265.4702459,-463.5823698,-385.0579279,-119.9478859,168.935611,313.7375634,0.14798784,0.005464166,-0.006716371,-0.027965907,-0.048835987,-0.040563846,-0.012635885,0.017796486,0.033050618,6.280087537,0.231880155,-0.285019357,-1.186775517,-2.072428887,-1.721388097,-0.536222859,0.755220783,1.402552883,34.11353518,1.259576683,-1.548229673,-6.446583442,-11.25746661,-9.350607462,-2.91277108,4.102371281,7.618689523,5.573333333,-0.547377778,-0.532088889,-0.592533333,-0.672533333,-1.283733333,-0.7728,0.2704,1.1136,0.002869708,-1.29E-04,-5.57E-04,-6.31E-05,-5.89E-05,-1.95E-04,-3.04E-04,1.23E-04,0.001423823,30.21807585,1.072831095,-0.816330804,-2.745404573,-4.794213956,-4.225944935,-1.500092316,3.494151275,18.7463989,56.19180239,1.994975233,-1.518001988,-5.105197037,-8.915045572,-7.85832506,-2.789485718,6.497523502,34.85972926,0.005919514,2.10E-04,-1.60E-04,-5.38E-04,-9.39E-04,-8.28E-04,-2.94E-04,6.84E-04,0.003672291,0.251203501,0.008918468,-0.006786175,-0.022822606,-0.039854402,-0.035130369,-0.012470299,0.029046953,0.155839209,1.364541407,0.048445257,-0.036862611,-0.123972759,-0.216489742,-0.190828724,-0.067738862,0.157783511,0.846521058,0.222933333,-0.021052991,-0.012668783,-0.011394872,-0.012933333,-0.026198639,-0.017972093,0.0104,0.123733333,-0.04478727,-0.194049533,-0.021999678,-0.020528326,-0.0678616,-0.106097993,0.043029259,0.496155905,0.035502959,-0.027014652,-0.090853057,-0.158653846,-0.139848247,-0.049642218,0.115631164,0.62037037,0.035502959,-0.027014652,-0.090853057,-0.158653846,-0.139848247,-0.049642218,0.115631164,0.62037037,0.035502959,-0.027014652,-0.090853057,-0.158653846,-0.139848247,-0.049642218,0.115631164,0.62037037,0.035502959,-0.027014652,-0.090853057,-0.158653846,-0.139848247,-0.049642218,0.115631164,0.62037037,0.035502959,-0.027014652,-0.090853057,-0.158653846,-0.139848247,-0.049642218,0.115631164,0.62037037,-0.094436265,-0.056827675,-0.05111336,-0.058014354,-0.117517821,-0.080616446,0.046650718,0.555023923,0.96257865,1.058276367,0.931902523,0.929698652,1.051016783,1.150716007,1.041191163,0.630056183,0.887573964,0.961538462,1.035502959,1.109467456,1.098901099,1.02862254,0.887573964,0.427350427,0.887573964,0.961538462,1.035502959,1.109467456,1.098901099,1.02862254,0.887573964,0.427350427,0.887573964,0.961538462,1.035502959,1.109467456,1.098901099,1.02862254,0.887573964,0.427350427,0.887573964,0.961538462,1.035502959,1.109467456,1.098901099,1.02862254,0.887573964,0.427350427,0.887573964,0.961538462,1.035502959,1.109467456,1.098901099,1.02862254,0.887573964,0.427350427,1.039749724,0.934153566,0.929333824,0.984541774,1.13758422,1.123845555,0.993743099,0.4784689,56.18845437,28.09422718,42.2081177,56.18845437,4.322188797,28.09422718,-2.84E-14,0.031660876,0.002435452,-4.488475619,64.53834619,4.964488168,5.41743743,56.18845437,28.09422718,42.2081177,56.18845437,4.322188797,28.09422718,-2.84E-14,0.031660876,0.002435452,-4.488475619,64.53834619,4.964488168,5.41743743,56.18845437,28.09422718,42.2081177,56.18845437,4.322188797,28.09422718,-2.84E-14,0.031660876,0.002435452,-4.488475619,64.53834619,4.964488168,5.41743743,56.18845437,28.09422718,42.2081177,56.18845437,4.322188797,28.09422718,-2.84E-14,0.031660876,0.002435452,-4.488475619,64.53834619,4.964488168,5.41743743,56.18845437,28.09422718,42.2081177,56.18845437,4.322188797,28.09422718,-2.84E-14,0.031660876,0.002435452,-4.488475619,64.53834619,4.964488168,5.41743743,56.18845437,28.09422718,42.2081177,56.18845437,4.322188797,28.09422718,-2.84E-14,0.031660876,0.002435452,-4.488475619,64.53834619,4.964488168,5.41743743,64.63507693,31.84351401,49.00673474,64.60549113,4.969653164,31.84351401,-0.076923077,0.005429553,4.18E-04,-6.780668096,62.21657216,4.785890167,5.369807817,0,11.85,12.15015697,-0.207645672,0.092611394,6.557214982,10.02832072,14,26,20,14,2,6,0,0,0,12,13.118484,3.899971609,3.61626193,2.883749624,2.778989467,2.619181914,2.365212979,1.972344319,0.941428501,2.043183378,1.836936979,1.412032153,1.110424572,1.082250302,0.930367431,0.661695422,0.310513972,3.908350434,3.62953738,2.912381177,2.798581747,2.645815032,2.398597631,2.023324696,1.053336623,2.019019262,1.800826842,1.327807772,1.053618332,1.007167592,0.844638297,0.563121568,0.150156259,3.946930792,3.690210017,3.055386984,2.886885952,2.771820215,2.559014521,2.234109651,1.517793787,1.95502817,1.702830455,1.086595977,0.905365971,0.798620231,0.592851807,0.274360069,0.396843083,3.914607793,3.63943153,2.934499673,2.813054412,2.665925019,2.424054134,2.060065554,1.134811365,2.004322847,1.778615045,1.274333891,1.019221219,0.960278991,0.789885148,0.500580476,0.041902902,3.966951096,3.721330522,3.13265197,2.932672171,2.838078588,2.64213193,2.331776367,1.721464227,1.936857371,1.674450275,1.016875497,0.863934283,0.738564276,0.516721259,0.182374369,0.594311107,3.898983551,3.664912688,2.961025548,2.816289857,2.719411872,2.465501287,2.084106781,1.227894669,2.016771804,1.745724595,1.216131088,1.002043721,0.89263954,0.729103888,0.459859404,0.065332999,0,0,0,9,3,1,0,0,0,0,0,0,0.185395406,0.190371421,0,0,0,0.059852793,0.057704174,0.538451691,0,0.164266427,0,0.299839684,0,0.065722928,0,1.440177475,2.343625286,3.058913543,0.663675135,0.891346035,0.959793302,9.096011838,6.377010098,5.323685641,4.43315398,3.607583662,2.793300895,1.373130305,0.885919191,0.699693218,0.455500721,0.295760313,0.192745825,0.128842274,0.087290653,0.057213763,0.038518226,7.696152423,4.488033872,3.180946753,2.229860854,1.514505944,0.964511996,0.402932042,0.211965786,0.592011725,0.320573848,0.176719264,0.096950472,0.054089498,0.030141,0.016788835,0.009215904,16.25096682,24.32702112,23.35294118,23.56,17.79132695,185.3683928,0.650038673,0.973080845,0.934117647,0.9424,0.711653078,7.414735713,3.38162,55.518,79.04049967,114.6333454,158.0809993,12.16007687,79.04049967,0.045897258,0.003530558,-4.005754879,105.6620215,8.127847805,6.05831918,151,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,9,0,0,0,0,0,0,0,0,1,0,0,0,0,9,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.8587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.941981293,0,0,0,0,3.941981293,0,0,0,0,0,0,0,0,2.141203704,0,0,0,0,18.91675926,0,0,0,0,3.942037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.292222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,0,0,0,0.422222222,0,0,0,0,0,0,0,0,2.141203704,0,0,0,0,2.043425926,0,0,0,0,1.292222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.157407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.444897959,0,0,0,0,0.444897959,0,0,0,0,0,0,0,0,2.141203704,0,0,0,0,2.157407407,0,0,0,0,1.3275,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,25,1.923076923,0.444897959,2.157407407,0.1875,1.292222222,7.369518426,0.374444444,0.157407407,2.115925926,0.374444444,0.157407407,2.115925926,6.5,0.5,0,0,0.508,0.7,0.44054,0.44054,0.7,0.06746,0.06746,0,0,0.71429,0,0,0.07692,0.23077,0,19,1.46154,7,0.53846,12,0.92308,5,0.38462,0,0,6.58636,0.50664,16.5206,9.93424,0.76417,2.4476,0.18828,6.37699,3.92939,0.30226,0.03701,0.00285,0.20901,0.01608,0.48,40,0,0,0,0,0,0,0.076923077,0.998845536,2.091314689,2.65790657,3.528884071,4.07326969,4.10346519,24.9711384,52.28286722,66.44766425,88.22210176,101.8317422,102.5866297,0.215089679,0.450340106,0.572349027,0.759903823,0.877130885,0.883633132,3.645010654,2.552541501,1.98594962,1.114972119,0.5705865,0.540391,0.199769107,0.418262938,0.531581314,0.705776814,0.814653938,0.820693038,6.399164975,15.22829348,22.02739606,27.13042297,28.55844242,28.92078842,44.36419974,40.25711399,31.98814514,23.73160199,21.06939417,20.3438622,9.551020408,4.481481481,2.268431002,0,12,0,2.89,1.4651,0,2.356639785,1.650963624,0,12.40719569,11.39982444,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.215,0.208,0.995,1.536,6.784,18,23,28,32,24,23,20,14,10,219,3.044522438,3.610917913,4.182050143,4.731802837,5.247024072,5.182836367,5.527815684,5.768125664,5.83691014,5.88556135,7.540750138,8.594713185,0.428571429,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.071428571,2,0.142857143,0,4,7,0.75,1.5,1.333333333,0.8125,0.333333333,0.166666667,0.118367347,0,0,0,0,0.107142857,0.074074074,0.047794118,0.025641026,0.016666667,0.023673469,0,0,0,0,0.294992211,37.93055777,56.20556192,75.86111554,5.835470426,37.93055777,0.048322133,0.003717087,-3.938825257,72.21853769,5.55527213,5.563605798,0,171.0725892,4.700439718,4.17438727,4.990432587,5.826000107,6.66057515,7.503840747,8.343553835,9.189014585,10.03025235,10.87640433,94.59446097,3.36729583,0,4.615120517,0,6.09356977,0,7.669028289,0,9.288134399,9.51281253,168.0939004,6.723756015,26.4502542,2.034634939,0,0,0,240,17,4.31,64,1.240841226,2.199437568,3.045097272,3.884726946,4.557535629,5.114592471,6.0682332,7.152684041,8.944058804,0,111.6697775,158.0570498,167.743262,175.0680139,178.8943305,134.6933004,75.87165618,26.59854899,9.087736165,0,368.1818,551.8910084,636.135747,706.2553861,752.1482739,667.1481811,535.9599645,368.1339497,278.014838,0,9.141107455,16.02783131,21.97276802,27.81652943,32.45791373,36.07159972,42.1541742,48.7507752,60.09033709,0,2.606923934,4.046271521,4.875785078,5.595580663,6.095941052,5.796976508,5.269644615,4.346081416,3.976643966,0,170.7468905,314.4652927,449.9539317,589.1185897,703.8696612,814.6289066,1013.713539,1267.240651,1653.914354,0,3.641823175,5.722560608,7.162411323,8.651389563,9.92015455,9.991932541,9.781783937,8.895621774,8.944058804,0,0.533647036,0.834147256,1.013755792,1.170852287,1.281180322,1.233345814,1.144637561,0.972263078,0.915871622,0,250.2888541,160.5101574,13.43338276,145.5129103,-93.3173801,-7.801670418,104.7759438,253.8275375,21.23505317,0.632359117,0.405531687,0.033939674,0.367640883,-0.235767974,-0.019711055,99.06477007,63.5302035,5.316956597,57.59426664,-36.9351837,-3.087914917,0.097255655,0.0962461,1.198382326,1.337850049,395.8017644,0,1,0,1096.9063,33.11957578,10.3131146,1215.061543,34.8577329,10.67086008,2049.755767,45.27422851,12.70283642,1.315791166,1.315791166,1053.855714,810.1326819,247.2517728,1.300843353,4.262277687,3.276549537,4.717986655,5.122970789,8.944058804,0.745873473,4.966519761,2.832657624,6.664685649,11.24538562,1.607101591,9.200327038,11.84239735,11.81455698,3.820292375,4.223459655,7.012245512,1.803580256,3.982147524,0.0320146,3.522466704,4.72E-09,0.731292516,3.78E-14,3.76E-49,7.23E-106,2.68E-184,1.92E-284,0,0,0,0,0,0,0,0,0.349016108,2.744248741,0.558701449,3.453680939,0.131958282,4.853978209,5.594752848,1.850997827,0.794601625,1.003220591,1.164402917,0.015935293,0.259469372,0.002383172,0.037971769,3.33E-11,0.005150553,2.66E-16,2.65E-51,5.09E-108,1.89E-186,1.35E-286,0,0,0,0,0,0,0,0,1.170978232,2.751839267,1.783153829,4.377515202,0.425204581,5.469181938,6.639943784,3.556987925,1.067359278,1.459212929,2.268002856,0.135556457,0.884709639,0.007893216,0.292346773,3.47E-10,0.053672733,2.77E-15,2.76E-50,5.31E-107,1.97E-185,1.41E-285,0,0,0,0,0,0,0,0,4.641186244,2.823546447,6.283130933,10.5325554,1.514013095,8.838029613,11.37852405,11.08863564,3.513065131,3.955096066,6.622381207,1.607371641,3.706617474,0.03001013,3.147517749,4.21E-09,0.651568466,3.37E-14,3.35E-49,6.44E-106,2.39E-184,1.71E-284,0,0,0,0,0,0,0,0,1.771028838,2.760154413,2.630207288,5.209631375,0.628843332,5.972256126,7.425752041,4.825422719,1.356992059,1.83201556,3.052333088,0.290499944,1.353894204,0.011835539,0.602625763,7.53E-10,0.116584349,6.02E-15,6.00E-50,1.15E-106,4.27E-185,3.06E-285,0,0,0,0,0,0,0,0,6.219512905,2.870591979,8.086211405,14.15243964,1.954924326,10.65099858,13.65233155,14.63398011,5.096334581,5.297957447,8.49191625,2.628573566,5.05639198,0.039652496,5.094253408,6.89E-09,1.066521406,5.51E-14,5.49E-49,1.05E-105,3.91E-184,2.80E-284,0,0,0,0,0,0,0,0,2.446855713,2.667725264,3.450752276,6.01267629,0.854233718,6.296921434,8.222077143,6.017307127,1.744159987,2.313517724,3.959712348,0.490605127,1.887214843,0.016245714,0.998770622,1.28E-09,0.197741496,1.02E-14,1.02E-49,1.96E-106,7.25E-185,5.18E-285,0,0,0,0,0,0,0,0,5.836158529,2.69620099,0.067888296,0.67860353,0.313502709,0.491767807,0.561769989,0.081515342,8.600247814,16.31470375,25.98320488,0.517905296,1.135053138,4.808910909,1.477443533,0.010498566,0.763700678,0.234632051,0.333722213,0.168379983,0.00194828,6.296853008,7.17089203,13.54233624,0.645551016,0.504050475,5.131384266,1.860246807,0.028520418,0.730950646,0.264986704,0.380024764,0.267107965,0.014381986,7.020151492,9.74504544,17.03744261,0.596425969,0.661514715,5.799933187,2.653256804,0.065865456,0.680818809,0.311449646,0.485670405,0.543989099,0.07672903,8.519055447,15.9454854,25.47812539,0.521228214,1.106388534,5.305702568,2.067099373,0.038260139,0.715916627,0.278920801,0.406314287,0.329919102,0.025884846,7.41106208,11.24949888,19.08017577,0.573874941,0.762118236,5.954853389,2.836891675,0.074515751,0.671630749,0.319964835,0.512015736,0.622027628,0.098211382,8.866260815,17.54839749,27.67347331,0.507446123,1.232254745,5.807377822,2.65283823,0.065719581,0.681142583,0.311149221,0.486909007,0.543794911,0.07638952,8.525935633,15.96203576,25.50044949,0.521713875,1.107093438 +UMLYSI0022,L,4-pentylbiphenyl,CCCCCC1=CC=C(C=C1)C2=CC=CC=C2,aromatic,C17H20,7116-96-3,81546,PubChem,,863.3,0,1.4697,2.16001809,77.7502,43.25586,12,12,37,17,20,0,17,0,0,0,0,0,0,0,0,0,2472.811337,2838.895938,3628.885366,3574.536861,3009.587465,2650.448823,2153.056764,1675.814625,1328.783071,7821.462218,9918.036559,13780.21286,14573.53931,12994.20832,11520.9223,9552.353539,7688.923029,6330.373632,262.558052,278.081928,476.272984,625.652148,602.607716,558.25782,473.174256,375.4521,338.219836,56.3035581,72.4710862,105.6692298,117.120015,107.0779594,95.70811931,79.99524614,64.73100997,54.47471423,5853.857094,5344.749364,9749.433664,13684.97468,13330.9198,12528.43111,10642.76469,8323.672765,7674.306618,77.33333333,95.02777778,144.1666667,170.6944444,162.2777778,147.8333333,122.6666667,98.33333333,83.16666667,66.83273884,74.70778784,54.98311161,40.61973706,35.40691135,33.5499851,32.13517558,31.61914387,27.68298065,211.3908708,261.0009621,208.7911039,165.6084012,152.873039,145.8344595,142.5724409,145.0740194,131.882784,7.096163568,7.317945474,7.216257333,7.1096835,7.089502541,7.066554684,7.062302328,7.084001887,7.046246583,1.521717786,1.907133847,1.601048936,1.330909262,1.259740698,1.211495181,1.193958898,1.221339811,1.13488988,158.2123539,140.651299,147.7186919,155.5110759,156.8343506,158.5877355,158.8472342,157.0504295,159.8813879,2.09009009,2.500730994,2.184343434,1.939709596,1.909150327,1.871308017,1.830845771,1.855345912,1.732638889,0.088371986,-0.004685523,-0.029060243,-0.005786985,-0.012757851,0.003298631,-6.13E-04,-0.004766876,0.002818832,1112.498461,35.37355997,-155.3783622,63.31867235,-108.2430935,52.52973656,-5.482901795,-225.8601804,-95.15487632,2068.738394,65.77864527,-288.9326994,117.743775,-201.2826545,97.68128823,-10.19569002,-419.9966501,-176.9445558,0.217930811,0.006929438,-0.030437554,0.012403693,-0.021204079,0.010290215,-0.001074063,-0.044244459,-0.018640187,9.248223158,0.29406115,-1.2916636,0.526369458,-0.899827118,0.436680807,-0.045579478,-1.877580441,-0.791024493,50.23649497,1.597344832,-7.016337176,2.85924725,-4.887875187,2.372057076,-0.247588449,-10.19904675,-4.296857599,7.036036036,0.441218245,0.548332116,1.7934218,-0.147350053,-0.031896762,-0.443632822,-2.213781349,-1.609812515,0.002388432,-1.23E-04,-4.40E-04,-6.58E-05,-1.50E-04,4.18E-05,-9.16E-06,-8.99E-05,5.87E-05,30.06752598,0.930883157,-2.354217609,0.719530368,-1.273448159,0.664933374,-0.081834355,-4.261512838,-1.982393257,55.91184848,1.731016981,-4.377768172,1.337997444,-2.36803123,1.236472003,-0.152174478,-7.924465095,-3.686344912,0.005890022,1.82E-04,-4.61E-04,1.41E-04,-2.49E-04,1.30E-04,-1.60E-05,-8.35E-04,-3.88E-04,0.249951977,0.007738451,-0.019570661,0.005981471,-0.010586201,0.005527605,-6.80E-04,-0.035426046,-0.016479677,1.357743107,0.04203539,-0.106308139,0.032491446,-0.057504414,0.030026039,-0.00369535,-0.192434844,-0.089517867,0.190163136,0.011611006,0.008308062,0.020379793,-0.00173353,-4.04E-04,-0.006621385,-0.041769459,-0.033537761,-0.051625184,-0.184349695,-0.027533207,-0.062841382,0.017482106,-0.00383338,-0.037656945,0.02458754,0.030959752,-0.078297683,0.023930481,-0.042352941,0.022114669,-0.002721686,-0.14173141,-0.065931373,0.030959752,-0.078297683,0.023930481,-0.042352941,0.022114669,-0.002721686,-0.14173141,-0.065931373,0.030959752,-0.078297683,0.023930481,-0.042352941,0.022114669,-0.002721686,-0.14173141,-0.065931373,0.030959752,-0.078297683,0.023930481,-0.042352941,0.022114669,-0.002721686,-0.14173141,-0.065931373,0.030959752,-0.078297683,0.023930481,-0.042352941,0.022114669,-0.002721686,-0.14173141,-0.065931373,0.061058135,0.043689132,0.107170052,-0.009116015,-0.002123211,-0.0348195,-0.219650666,-0.176363103,1.087576301,1.097467353,0.918922065,1.018305554,1.008707341,1.053769447,1.066431737,0.900748583,1.030959752,1.098128342,0.957152406,1.013979239,0.942218913,0.964793679,1.108768036,1.020220588,1.030959752,1.098128342,0.957152406,1.013979239,0.942218913,0.964793679,1.108768036,1.020220588,1.030959752,1.098128342,0.957152406,1.013979239,0.942218913,0.964793679,1.108768036,1.020220588,1.030959752,1.098128342,0.957152406,1.013979239,0.942218913,0.964793679,1.108768036,1.020220588,1.030959752,1.098128342,0.957152406,1.013979239,0.942218913,0.964793679,1.108768036,1.020220588,1.006098794,0.899051333,0.826104353,1.001566619,1.015567513,1.003363464,1.198680936,1.098511524,122.8752175,61.43760875,95.34928049,122.8752175,7.22795397,61.43760875,2.13E-14,0.367076816,0.021592754,-1.703713047,218.8746633,12.87498019,9.160448729,122.8752175,61.43760875,95.34928049,122.8752175,7.22795397,61.43760875,2.13E-14,0.367076816,0.021592754,-1.703713047,218.8746633,12.87498019,9.160448729,122.8752175,61.43760875,95.34928049,122.8752175,7.22795397,61.43760875,2.13E-14,0.367076816,0.021592754,-1.703713047,218.8746633,12.87498019,9.160448729,122.8752175,61.43760875,95.34928049,122.8752175,7.22795397,61.43760875,2.13E-14,0.367076816,0.021592754,-1.703713047,218.8746633,12.87498019,9.160448729,122.8752175,61.43760875,95.34928049,122.8752175,7.22795397,61.43760875,2.13E-14,0.367076816,0.021592754,-1.703713047,218.8746633,12.87498019,9.160448729,122.8752175,61.43760875,95.34928049,122.8752175,7.22795397,61.43760875,2.13E-14,0.367076816,0.021592754,-1.703713047,218.8746633,12.87498019,9.160448729,145.4432784,72.21616934,113.6636637,145.3041781,8.547304594,72.21616934,-0.262745098,0.583496415,0.034323319,-0.915818851,168.5688594,9.915815259,8.716485357,0,11.85,12.15022023,-0.2076498,0.092673805,5.179396764,9.704129008,18,38,32,26,6,6,0,0,0,12,21.86414,3.898106394,3.65036342,3.370538501,2.994861328,2.682095025,2.619181914,2.619181914,2.332918796,2.047574909,1.895778082,1.783086261,1.49923491,1.153449458,1.082250302,1.082250302,0.9820381,3.906894582,3.663910379,3.39985289,3.023634204,2.712620103,2.645815032,2.645815032,2.372143101,2.022251001,1.851521602,1.728086247,1.421143271,1.073183243,1.007167592,1.007167592,0.894196778,3.947196075,3.727123691,3.527734584,3.163613221,2.842879505,2.771820215,2.771820215,2.564599901,1.95562915,1.740612781,1.552887837,1.193625658,0.868753208,0.798620231,0.798620231,0.60547071,3.913448256,3.674064164,3.421421073,3.045629029,2.734823092,2.665925019,2.665925019,2.402281602,2.006922973,1.825249251,1.691676383,1.371271628,1.025248834,0.960278991,0.960278991,0.83500234,3.968037017,3.760656114,3.588755888,3.237640155,2.906470494,2.838078588,2.838078588,2.664596268,1.936695013,1.710464037,1.495582351,1.126351658,0.810181864,0.738564276,0.738564276,0.513452425,3.949217562,3.722996895,3.360829819,3.030121759,2.771365908,2.771365908,2.755701111,2.431680488,1.982164148,1.825314345,1.670750921,1.35689961,0.991151349,0.845426652,0.845426652,0.774191328,0,0,0,9,3,1,4,0,0,0,0,0,0.185395406,0.165963653,0,0,0,0.059852793,0.049568251,0.537457479,0,0.083333333,0,0.284517797,0,0.027777778,0,1.375821743,2.044331054,2.539997488,0.604316276,0.755032669,0.796143426,11.92443896,8.398178148,6.67467761,5.423833945,4.236895676,3.375956014,2.061071113,1.4761261,0.701437586,0.466565453,0.303394437,0.200882739,0.13240299,0.086562975,0.057251975,0.038845424,10.52457955,6.542710979,4.52005561,3.130063395,2.073589508,1.378721079,0.78296471,0.473956603,0.619092915,0.363483943,0.205457073,0.115928274,0.064799672,0.035351823,0.02174902,0.012472542,22.41827804,35.87836854,34.25490196,34.6,24.98554491,277.4814132,0.605899406,0.969685636,0.925808161,0.935135135,0.675284998,7.499497653,5.0863,75.107,114.0144169,161.5995982,228.0288337,13.41346081,114.0144169,0.167628617,0.009860507,-3.036207411,143.1557962,8.42092919,8.438686986,320,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,5,0,0,9,0,0,0,0,0,0,0,0,1,0,4,0,0,9,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.6060214,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.765166621,0,1.458258911,0,0,3.765166621,0,0,0,0,0,0,0,0,2.248513374,0,5.145465225,0,0,19.54066877,0,0,0,0,4.065352629,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.298711289,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384550737,0,0.239631189,0,0,0.384550737,0,0,0,0,0,0,0,0,2.248513374,0,1.211219923,0,0,2.058152293,0,0,0,0,1.298711289,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.261898148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.439132063,0,0.387353001,0,0,0.439132063,0,0,0,0,0,0,0,0,2.248513374,0,1.333766562,0,0,2.261898148,0,0,0,0,1.456602891,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,31,1.823529412,0.439132063,2.261898148,0.127152778,1.211219923,10.1072025,0.367955378,0.261898148,3.578364292,0.367955378,0.261898148,3.578364292,8.5,0.5,0,0,0.48378,0.7,0.43878,0.43878,0.7,0.04501,0.04501,0,0,0.71429,0,0,0.05882,0.17647,0,21,1.23529,9,0.52941,12,0.70588,3,0.17647,0,0,12.06881,0.70993,23.30797,11.23915,0.66113,4.54309,0.26724,8.39816,3.85507,0.22677,0.01584,9.30E-04,0.18784,0.01105,0.324324324,52,0,0,0,0,0,0,0.294117647,0.995252549,2.456283492,3.383808095,4.303783771,4.625409028,4.756618568,36.82434433,90.8824892,125.2008995,159.2399995,171.1401341,175.994887,0.191047405,0.471505035,0.649551471,0.826148824,0.887887597,0.913074412,4.214200816,2.753169874,1.825645271,0.905669595,0.584044337,0.452834797,0.182299664,0.449915607,0.619809594,0.788320849,0.847232707,0.87126626,6.669607315,18.30319457,24.74277661,28.86507559,30.37756081,30.50979707,62.1768021,47.53202059,32.50177871,22.9104249,20.15900656,19.54468493,13.43209877,7.438016529,4.301783265,5,12,5,3.33,2.0287,0,2.295980745,0.421716333,0,20.78145732,14.02102691,0,1.310370697,0,0,0,0,0,0,0,0,0,0,0,0.003,0.215,0.208,0.995,1.536,8.78,22,27,32,39,36,38,36,34,30,329,3.218875825,3.713572067,4.248495242,4.774912961,5.324228748,5.391067454,5.77687803,6.014631606,6.224836856,6.381445814,7.830121269,7.642049772,0.5,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.277777778,6,0.333333333,1,6,12,1,2,1.333333333,0.4375,0.293333333,0.340277778,0.220408163,0.090277778,0.053162006,0.025625,0.020610142,0.111111111,0.060606061,0.020833333,0.017254902,0.022685185,0.018367347,0.010030864,0.007594572,0.004270833,0.004122028,0.290788848,74.800352,115.763433,149.600704,8.800041412,74.800352,0.18258676,0.010740398,-2.8909007,149.9256544,8.819156139,8.517237207,0,240.2565277,5.087462841,4.394449155,5.187385806,5.998936562,6.814542897,7.638679824,8.464003363,9.294405747,10.12474933,10.95854843,103.8757011,3.610917913,0,4.828313737,0,6.259581464,0,7.785305183,0,9.359363643,9.596282814,224.1565006,6.058283801,34.49465029,2.029097076,0,0,0,608,21,6.481,80,1.243583911,2.185372575,2.973738997,3.79093604,4.742707366,5.721353758,6.845311652,7.694082664,8.629139858,9.528399288,102.3639451,128.9016813,130.4368996,152.0771566,177.9077022,203.0511443,231.4597292,228.5888273,259.6876068,297.033793,346.6761501,478.9372349,519.7071206,629.7293773,744.4295552,872.815054,1034.988224,1062.143362,1184.632899,1363.724259,9.13074526,15.81218909,21.20278952,26.98643261,33.63064145,40.54457441,48.58324095,54.33353743,60.85691947,67.43095079,2.491586978,3.630065349,4.123019304,5.079565581,6.065197832,7.186577088,8.61327137,9.030200011,10.03843601,11.50417805,173.0273712,319.9395493,458.1211791,586.6436641,743.8431455,898.7150045,1068.57034,1221.401633,1376.527472,1501.731816,3.195693326,4.892489082,5.921988018,7.517190399,9.187437084,10.85416958,12.9737496,13.63104568,14.93893929,17.58658864,0.511515423,0.753114935,0.863487855,1.066866863,1.276734301,1.515405599,1.818655783,1.914636514,2.127956044,2.435325234,384.7909076,326.9575118,16.22237505,152.0856785,-129.2274688,-7.974485507,232.7052291,456.1849806,24.19686056,0.716721343,0.608999387,0.030216209,0.283278657,-0.240702374,-0.01485348,206.5852288,175.5358327,8.709413334,81.65123984,-69.37920228,-4.281314555,0.073402244,0.076822437,0.855746806,0.666805525,536.876586,0,1,0,1345.433579,36.68015239,11.03961906,1541.085111,39.2566569,11.55071518,2517.844981,50.17813249,13.60430404,3.045486795,3.045486795,3476.500054,3366.62419,272.0277681,1.032636807,12.77994551,12.37603137,6.421984442,7.471406055,14.15408175,0.894433477,6.313171583,7.335244785,6.518511903,26.52937104,7.651998311,11.10266271,16.03128649,16.81676138,10.48308397,5.617663157,16.97521931,8.823498098,9.950360844,3.206263057,10.79752987,8.898059703,6.510649719,1.850070598,4.502473108,8.372609678,7.221059275,1.77417065,3.560504227,3.181332421,1.847998469,0.880003065,0.264471469,1.03E-05,1.10E-31,2.46E-79,0.530036528,6.52768833,0.524188592,7.424430844,0.989483922,5.628538009,6.267297041,2.657823667,3.147402857,1.784810924,3.234416267,1.137846433,2.430232449,0.789619099,1.692003948,2.425984558,0.599970742,0.437236543,1.263784848,1.497671903,0.692193369,0.122796726,0.799268691,0.696399462,0.085980518,0.012046017,0.001863453,7.24E-08,7.73E-34,1.73E-81,1.710497685,6.581651352,1.705738704,9.206803508,1.528779749,6.497363436,7.795030335,4.728863969,4.305425364,2.349419465,5.545795066,2.125101468,3.615577171,1.083176978,3.129489413,3.388805383,1.41239278,0.578764128,1.878421226,2.542388366,1.600954235,0.413596808,1.09522841,1.196553738,0.323093545,0.079612103,0.019412659,7.55E-07,8.05E-33,1.80E-80,5.959132199,7.246582336,6.13667877,24.61073096,6.953799721,10.67960838,15.26893252,15.66019065,9.913949311,5.305983012,15.95946435,8.14725477,9.366280963,2.987659749,10.09110842,8.375100659,6.009392019,1.711623011,4.287770837,7.824868378,6.671397981,1.656702199,3.296771534,3.026704229,1.696774012,0.78809364,0.23563984,9.16E-06,9.77E-32,2.19E-79,2.520847262,6.651616793,2.529312146,11.05903238,2.142661972,7.167587502,8.981930068,6.393776176,5.201130481,2.801662479,7.278988401,2.975495428,4.533104554,1.34399943,4.241325233,4.156128789,2.087103635,0.719524736,2.314141483,3.366030686,2.350660661,0.626963599,1.377871447,1.541994243,0.52225255,0.158537339,0.042165023,1.64E-06,1.75E-32,3.92E-80,7.624020067,7.70805831,7.94914617,34.48372091,10.56675479,12.76888305,19.04084188,21.4280351,12.72664063,6.859142672,20.93429434,11.5609174,12.25340122,4.095879672,13.58225486,10.97824909,8.524871142,2.421670583,5.316076395,10.54469206,9.426485956,2.227693221,4.644503145,3.756692275,2.457140887,1.264326942,0.385704307,1.50E-05,1.60E-31,3.58E-79,3.461727196,5.623982077,3.521959623,12.80505563,2.946697675,8.318301631,11.13055821,8.341318899,5.931969065,3.133172741,9.371878673,4.050733552,5.668138637,1.686792265,5.897418416,4.909448839,3.014547281,0.90427738,2.891040582,4.388604451,3.378512977,0.863641668,1.97159715,2.182379793,0.841159488,0.287517636,0.079537053,3.09E-06,3.30E-32,7.39E-80,17.5790036,1.563628256,0.646743472,0.888305129,0.079013523,0.554005257,0.437495953,0.341297776,19.78937532,39.86739892,77.43382935,0.832457693,1.332798986,15.25546355,0.85243761,0.364243181,0.926137073,0.051750251,0.417387009,0.131858266,0.105385833,16.47214434,18.87152405,40.08040725,0.88920561,0.654631107,16.03785614,1.091111673,0.460717754,0.91177617,0.062031335,0.461212973,0.21416943,0.170619538,17.58968557,25.39071163,51.04253959,0.867664255,0.84600194,17.50490066,1.540876808,0.637874148,0.889311648,0.078282061,0.549347211,0.42491313,0.331811824,19.68365162,39.12170454,76.01066887,0.833967472,1.306072166,16.43952804,1.214076715,0.509584925,0.90510138,0.066842704,0.48457118,0.264584818,0.209710962,18.16318968,28.95485905,57.28877689,0.85765207,0.958866959,17.81822703,1.637086592,0.675337561,0.885129193,0.081323082,0.569178024,0.47938207,0.372800083,20.13065118,42.30888461,82.13911933,0.827693789,1.421360177,17.52961882,1.544155599,0.637220482,0.889332015,0.07833981,0.550901302,0.42674194,0.331042088,19.7109949,39.22265878,76.1822302,0.833998023,1.308685331 +UMLYSI0023,L,4-butylbiphenyl,CCCCC1=CC=C(C=C1)C2=CC=CC=C2,aromatic,C16H18,37909-95-8,2775237,PubChem,,847.7,0,1.7577,3.08950929,74.8386,40.162274,12,12,34,16,18,0,16,0,0,0,0,0,0,0,0,0,2326.515088,2670.417641,3435.176829,3377.780132,2812.830736,2453.692094,1846.32505,1316.675983,1095.705078,7335.777828,9265.046424,12866.66574,13566.74096,11987.40997,10514.12396,8404.080652,6215.637016,4979.365438,241.580608,256.306148,433.543476,562.767248,539.722816,495.37292,410.664808,331.102204,253.98204,52.62543229,67.45509758,97.98153966,108.0984862,98.0564305,86.68659045,70.6362244,53.36116992,42.11255244,5357.227434,4911.709912,8825.231465,12206.01952,11851.96465,11049.47595,9126.54752,7521.18407,5735.98382,73.08333333,89.77777778,134.9166667,158.4444444,150.1111111,135.6666667,110.6666667,82.16666667,62.33333333,68.42691435,76.29764689,57.25294715,42.75671053,37.01093074,35.0527442,31.83319052,28.01438262,30.43625217,215.7581714,264.7156121,214.4444291,171.7308983,157.7290786,150.2017708,144.8979423,132.2475961,138.3157066,7.105312,7.3230328,7.2257246,7.123636051,7.101616,7.076756,7.080427724,7.044727745,7.055056667,1.547806832,1.927288502,1.633025661,1.368335268,1.290216191,1.238379864,1.217865938,1.135344041,1.169793123,157.5655128,140.3345689,147.0871911,154.5065762,155.9469032,157.8496565,157.3542676,160.025193,159.3328839,2.149509804,2.565079365,2.248611111,2.005625879,1.975146199,1.938095238,1.908045977,1.74822695,1.731481481,0.084145358,-0.004704717,-0.027035977,-0.005748669,-0.010762897,0.003833886,-0.011582079,0.003598008,0.010866422,1025.500312,33.9319956,-121.9038361,38.54004439,-127.3497119,39.37787144,-196.8893572,-57.39115306,-17.59436809,1906.96162,63.09799477,-226.6853886,71.66685826,-236.8122273,73.22483344,-366.1241672,-106.7212998,-32.71747877,0.200888471,0.006647045,-0.023880125,0.00754973,-0.024946934,0.007713855,-0.038569273,-0.011242533,-0.003446616,8.525005707,0.282077395,-1.013389159,0.320384201,-1.058660839,0.327349075,-1.636745377,-0.477093865,-0.146262353,46.3079663,1.532248885,-5.504745994,1.740332067,-5.750662482,1.778165373,-8.890826864,-2.591581447,-0.794499422,6.723039216,0.222198193,0.319636678,1.32326509,-0.524702038,0.330017301,-1.988321799,-1.430867935,-0.356257209,0.002474863,-1.34E-04,-4.51E-04,-7.28E-05,-1.42E-04,5.48E-05,-2.00E-04,7.66E-05,3.02E-04,30.16177387,0.969485589,-2.031730601,0.487848663,-1.675654104,0.562541021,-3.39464409,-1.221088363,-0.488732447,56.08710646,1.802799851,-3.77808981,0.907175421,-3.115950359,1.046069049,-6.312485641,-2.270665953,-0.908818855,0.005908484,1.90E-04,-3.98E-04,9.56E-05,-3.28E-04,1.10E-04,-6.65E-04,-2.39E-04,-9.57E-05,0.250735462,0.008059354,-0.016889819,0.004055496,-0.013929748,0.004676415,-0.028219748,-0.010150933,-0.004062843,1.361999009,0.04377854,-0.091745767,0.02202952,-0.075666612,0.025402362,-0.153290118,-0.055140031,-0.022069428,0.197736448,0.00634852,0.005327278,0.016750191,-0.006903974,0.004714533,-0.03428141,-0.030443999,-0.009896034,-0.054314299,-0.182070495,-0.02940282,-0.057222171,0.022130433,-0.080687689,0.030932361,0.121964325,0.032142857,-0.067361111,0.016174402,-0.055555556,0.018650794,-0.112547893,-0.040484634,-0.016203704,0.032142857,-0.067361111,0.016174402,-0.055555556,0.018650794,-0.112547893,-0.040484634,-0.016203704,0.032142857,-0.067361111,0.016174402,-0.055555556,0.018650794,-0.112547893,-0.040484634,-0.016203704,0.032142857,-0.067361111,0.016174402,-0.055555556,0.018650794,-0.112547893,-0.040484634,-0.016203704,0.032142857,-0.067361111,0.016174402,-0.055555556,0.018650794,-0.112547893,-0.040484634,-0.016203704,0.032105967,0.026941305,0.084709679,-0.034915031,0.023842508,-0.173369203,-0.153962504,-0.050046583,1.065919106,1.079897855,0.922492321,1.023212711,1.036567961,1.177884877,0.93805527,0.757056469,1.001785714,1.071354167,0.961629747,1.025219298,0.946130952,1.074712644,0.994680851,0.973958333,1.001785714,1.071354167,0.961629747,1.025219298,0.946130952,1.074712644,0.994680851,0.973958333,1.001785714,1.071354167,0.961629747,1.025219298,0.946130952,1.074712644,0.994680851,0.973958333,1.001785714,1.071354167,0.961629747,1.025219298,0.946130952,1.074712644,0.994680851,0.973958333,1.001785714,1.071354167,0.961629747,1.025219298,0.946130952,1.074712644,0.994680851,0.973958333,1.012863913,0.90784421,0.85173768,1.036955312,0.997281392,1.182458169,1.06611801,0.888149633,104.0021027,52.00105135,80.11084694,104.0021027,6.500131419,52.00105135,-4.97E-14,0.302990002,0.018936875,-1.910488755,149.4814434,9.342590215,8.011475618,104.0021027,52.00105135,80.11084694,104.0021027,6.500131419,52.00105135,-4.97E-14,0.302990002,0.018936875,-1.910488755,149.4814434,9.342590215,8.011475618,104.0021027,52.00105135,80.11084694,104.0021027,6.500131419,52.00105135,-4.97E-14,0.302990002,0.018936875,-1.910488755,149.4814434,9.342590215,8.011475618,104.0021027,52.00105135,80.11084694,104.0021027,6.500131419,52.00105135,-4.97E-14,0.302990002,0.018936875,-1.910488755,149.4814434,9.342590215,8.011475618,104.0021027,52.00105135,80.11084694,104.0021027,6.500131419,52.00105135,-4.97E-14,0.302990002,0.018936875,-1.910488755,149.4814434,9.342590215,8.011475618,104.0021027,52.00105135,80.11084694,104.0021027,6.500131419,52.00105135,-4.97E-14,0.302990002,0.018936875,-1.910488755,149.4814434,9.342590215,8.011475618,121.7524795,60.41704762,93.8992731,121.6399795,7.602498719,60.41704762,-0.225,0.507561261,0.031722579,-1.085020582,200.8383205,12.55239503,8.484000334,0,11.85,12.15020408,-0.207649799,0.092656891,5.23180015,9.694304276,17,35,29,23,5,6,0,0,0,12,19.677726,3.89800411,3.649059753,3.307124644,2.895129797,2.619181914,2.619181914,2.548489357,2.192465229,2.047092875,1.885963184,1.741625379,1.382063137,1.082250302,1.082250302,1.052037203,0.881910684,3.906784619,3.662459135,3.337134432,2.919933503,2.645815032,2.645815032,2.585599368,2.231103553,2.021903182,1.844354753,1.681908979,1.300027875,1.007167592,1.007167592,0.981696683,0.772135357,3.947039472,3.724659456,3.469549529,3.044623856,2.771820215,2.771820215,2.744276801,2.415086038,1.955459608,1.737840234,1.495854996,1.072689636,0.798620231,0.798620231,0.774389752,0.455172322,3.91333208,3.672489014,3.359303299,2.938993786,2.665925019,2.665925019,2.612858187,2.260189887,2.00663301,1.819449331,1.642750574,1.248429506,0.960278991,0.960278991,0.93757398,0.701539159,3.967845693,3.757347415,3.533516833,3.11478047,2.838078588,2.838078588,2.816761864,2.514854935,1.936552744,1.708329552,1.43604663,1.010499448,0.738564276,0.738564276,0.705216702,0.365899938,3.938190132,3.711932648,3.308249675,2.933941317,2.76035159,2.76035159,2.637478774,2.288116457,1.98976047,1.810162921,1.628581891,1.228718193,0.893976767,0.855415159,0.855415159,0.64343256,0,0,0,9,3,1,3,0,0,0,0,0,0.185395406,0.165963653,0,0,0,0.059852793,0.049568251,0.537457479,0,0.083333333,0,0.284517797,0,0.027777778,0,1.375821743,2.044331054,2.569890777,0.604316276,0.755032669,0.813402325,11.21733218,7.898178148,6.321124219,5.173833945,4.046682254,3.316169436,1.916733546,1.366306329,0.701083261,0.464598715,0.301005915,0.198993613,0.130538137,0.087267617,0.056374516,0.037952954,9.817472766,6.042710979,4.166502219,2.880063395,1.875366204,1.313507657,0.67314494,0.407882168,0.613592048,0.355453587,0.198404868,0.110771669,0.060495684,0.034565991,0.019798381,0.01133006,20.87645023,32.99053168,31.52941176,31.84,23.18699042,254.4531581,0.614013242,0.970309755,0.92733564,0.936470588,0.681970306,7.483916414,4.6962,70.49,103.4833694,146.017827,206.9667389,12.93542118,103.4833694,0.167052438,0.010440777,-2.863116026,118.4608735,7.403804595,7.63933236,277,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,4,0,0,9,0,0,0,0,0,0,0,0,1,0,3,0,0,9,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.51882125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.792266946,0,1.218627722,0,0,3.792266946,0,0,0,0,0,0,0,0,2.234462449,0,3.746716298,0,0,19.47074615,0,0,0,0,4.048075108,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.295871782,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.389652778,0,0.251953983,0,0,0.389652778,0,0,0,0,0,0,0,0,2.234462449,0,1.199969923,0,0,2.054680071,0,0,0,0,1.295871782,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.248009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.440611353,0,0.387353001,0,0,0.440611353,0,0,0,0,0,0,0,0,2.234462449,0,1.282424257,0,0,2.248009259,0,0,0,0,1.44586215,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,29.5,1.84375,0.440611353,2.248009259,0.134097222,1.199969923,9.402573152,0.370794884,0.248009259,3.410417188,0.370794884,0.248009259,3.410417188,8,0.5,0,0,0.48824,0.7,0.43913,0.43913,0.7,0.0491,0.0491,0,0,0.71429,0,0,0.0625,0.1875,0,20.5,1.28125,8.5,0.53125,12,0.75,3.5,0.21875,0,0,10.57428,0.66089,21.54181,10.96753,0.68547,4.04309,0.25269,7.89816,3.85507,0.24094,0.01584,9.90E-04,0.18784,0.01174,0.352941176,49,0,0,0,0,0,0,0.25,0.997502546,2.452522399,3.321606958,4.219528282,4.653495562,4.653495562,33.91508658,83.38576156,112.9346366,143.4639616,158.2188491,158.2188491,0.196070729,0.482071806,0.652900485,0.829397366,0.914698683,0.914698683,4.089960295,2.634940442,1.765855883,0.867934559,0.433967279,0.433967279,0.186186255,0.457769219,0.619985948,0.787585128,0.868586167,0.868586167,6.630523011,18.27137449,24.2471237,29.27571703,30.35967864,30.35967864,57.87132895,45.00991376,31.9689964,21.774687,19.35235692,19.35235692,12.4567474,6.666666667,3.769230769,4,12,4,3.22,1.8878,0,2.268081332,0.493975317,0,18.71695319,13.8127023,0,1.310370697,0,0,0,0,0,0,0,0,0,0,0,0.003,0.215,0.208,0.995,1.536,8.281,21,26,31,38,34,36,34,30,24,307,3.17805383,3.688879454,4.234106505,4.766438334,5.319344734,5.377301822,5.762837237,5.998005608,6.190859571,6.319587291,7.80084775,7.953328583,0.454545455,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.235294118,5,0.294117647,1,6,11,0.833333333,2,1.333333333,0.4375,0.293333333,0.340277778,0.220408163,0.074652778,0.032753842,0.025625,0.020610142,0.117647059,0.063492063,0.021875,0.018333333,0.024305556,0.022040816,0.010664683,0.005458974,0.005125,0.006870047,0.305812531,64.75030549,99.7615435,129.500611,8.093788186,64.75030549,0.143664237,0.008979015,-3.10444222,151.8203174,9.488769839,8.036316319,0,222.9605431,5,4.343805422,5.141663557,5.958424693,6.778784898,7.60638739,8.435332165,9.267948685,10.10082087,10.93597784,101.5691455,3.555348061,0,4.779123493,0,6.22059017,0,7.75576717,0,9.337413455,9.572132202,210.1408506,6.180613252,32.4918489,2.030740556,0,0,0,496,20,5.912,76,1.243064433,2.187813879,2.984662428,3.810268044,4.714307964,5.687600619,6.747486245,7.618521872,8.447561208,9.406960124,104.0907109,134.0335429,136.4822813,157.8614042,184.1120451,197.9704242,200.3751676,248.6641319,279.6611047,219.3332493,350.6657697,491.7717382,538.1325726,647.0653952,760.8432794,875.6672975,925.9262437,1097.871025,1270.087464,1156.401783,9.132593343,15.84987936,21.3205999,27.15533325,33.47699962,40.40049707,47.61506137,53.83362897,59.97863487,66.22642448,2.512978469,3.703258315,4.240855114,5.191126513,6.156595665,7.251185027,7.869294563,9.169644475,10.61586281,10.26276542,172.60257,318.9725217,456.8960176,587.3964144,735.9495166,885.4380922,1073.883241,1208.030269,1316.388741,1506.152541,3.276309092,5.041683165,6.139062946,7.792386814,9.477951625,11.22205282,12.01152384,13.40285672,16.04823512,17.11407128,0.515619886,0.767363776,0.886964437,1.089166675,1.294268639,1.529675525,1.668653986,1.938830519,2.242786939,2.190905699,353.2006227,281.3754826,15.43056057,154.0040462,-122.6865414,-8.294577424,199.1965765,404.062024,23.725138,0.696367057,0.55475728,0.030422749,0.303632943,-0.241887642,-0.016353512,179.1450049,142.7149585,7.826452367,78.11157125,-62.22718661,-4.207048395,0.07829086,0.081927195,0.964698477,0.785832436,507.2046689,0,1,0,1283.342739,35.82377337,10.86711391,1459.620199,38.2049761,11.34348815,2394.118164,48.92972679,13.37771257,2.948617171,2.948617171,2691.951897,2572.70497,257.4845907,1.046350798,10.45480776,9.991685183,6.021888957,7.205747979,12.8345228,0.781150664,5.755355354,6.515673183,6.21736451,21.77811723,5.677294129,11.12988801,15.50266592,16.74728044,8.753363368,4.570268865,15.86566667,8.549574749,7.404437346,3.428685363,12.68388799,8.106011278,5.083053869,1.870027924,4.302931569,2.41076185,2.577818587,2.67267498,0.653982738,3.25E-04,0.100538455,6.44E-20,1.04E-59,3.44E-121,2.22E-204,0.00E+00,0.483209024,5.590104756,0.501695506,6.453649564,0.975539129,5.617837962,6.234250055,2.705587567,2.199208919,1.722715565,3.190668272,1.22484143,1.921387439,0.966270786,1.035454688,2.054890833,0.797960657,0.881034185,0.342818342,0.369845997,0.515864217,0.116206991,0.011380449,2.98E-06,7.08E-04,4.54E-22,7.31E-62,2.42E-123,1.57E-206,1.9571671123905E-311,1.559366488,5.651953483,1.631246195,7.993693324,1.383559214,6.494404778,7.629685089,4.784284557,3.181592983,2.21914025,5.393406143,2.10799775,2.821916206,1.297848633,2.817181854,2.955880764,1.274904209,0.973749765,1.057425262,0.698118826,0.810904472,0.446355175,0.065403364,2.56E-05,0.007378954,4.73E-21,7.62E-61,2.52E-122,1.63E-205,2.03951902948805E-310,5.432598333,6.414054022,5.854316727,20.2781801,5.194279919,10.70451192,14.7596339,15.60906244,8.226373255,4.365936602,14.95368916,7.884662312,6.99140771,3.217425057,11.75994608,7.617346768,4.68001795,1.770865553,4.027335365,2.254573185,2.407066156,2.4483593,0.587351418,2.90E-04,0.089577953,5.74E-20,9.25E-60,3.06E-121,1.98E-204,0.00E+00,2.29811485,5.732143235,2.417674731,9.522397176,1.82746584,7.169943058,8.735012658,6.445073453,3.961511858,2.585105538,7.019682504,2.895965786,3.50503118,1.576255744,4.21723646,3.673604915,1.720406857,1.069807709,1.575812851,0.949692345,1.05080741,0.729905739,0.12539462,5.39E-05,0.016028074,1.03E-20,1.65E-60,5.48E-122,3.54E-205,4.43010786609807E-310,6.950379326,6.942967956,7.576484957,27.96957306,7.687286187,12.80470476,18.45318941,21.27791375,10.84734964,5.360890061,19.39675305,11.25726289,9.021538071,4.279595209,16.34421425,10.04954509,6.735075094,2.281028121,5.360991988,3.024534821,3.260588309,3.580208756,0.931676164,4.72E-04,0.146625887,9.39E-20,1.51E-59,5.01E-121,3.24E-204,0.00E+00,3.140067386,4.91834595,3.314399833,10.81296583,2.301337978,8.145131982,10.65779078,8.162234256,4.880417916,2.797985121,9.033212689,4.030736686,4.472672673,1.89361546,5.783853888,4.560524779,2.459132232,1.270686308,2.285989213,1.26438931,1.483022207,1.092500228,0.218302101,9.82E-05,0.029575231,1.89E-20,3.05E-60,1.01E-121,6.54E-205,8.17449838717946E-310,14.63092239,1.654494003,0.615938281,0.865665662,0.097891207,0.564674516,0.461256152,0.319371712,16.90135467,34.23758474,66.0488178,0.798498494,1.345302381,12.33646803,0.897833667,0.333737422,0.909229987,0.066172692,0.402024025,0.138088813,0.092140473,13.56803912,15.49287806,32.75742501,0.86384498,0.632253311,13.09850255,1.149035108,0.428622133,0.89250204,0.078292627,0.452942633,0.224355341,0.152654351,14.67615979,21.15744928,42.28464619,0.83875306,0.829952326,14.55627257,1.629879553,0.6068905,0.866803765,0.097056834,0.558942505,0.447772547,0.309861624,16.79304263,33.548193,64.73969517,0.800205647,1.316576676,13.49385944,1.279453152,0.477313814,0.884806898,0.083895121,0.480574794,0.277409241,0.189914337,15.2506264,24.31626716,47.80760247,0.827210347,0.947898372,14.87258589,1.734168258,0.645184974,0.862081983,0.100520194,0.583433915,0.50626139,0.351128296,17.25193912,36.5059946,70.39826479,0.793122975,1.440823601,14.56830781,1.632822675,0.606764034,0.866753881,0.097146176,0.559863893,0.44935745,0.309746269,16.80789452,33.61772662,64.85899834,0.800130822,1.318967612 +UMLYSI0024,L,4-propylbiphenyl,CCCC1=CC=C(C=C1)C2=CC=CC=C2,aromatic,C15H16,10289-45-9,2734126,PubChem,,821.5,0,2.0457,4.18488849,71.927,37.068688,12,12,31,15,16,0,15,0,0,0,0,0,0,0,0,0,2180.218839,2501.939344,3241.468292,3181.023403,2616.074007,2146.96038,1487.186408,1083.59799,921.130397,6850.093437,8612.05629,11953.11863,12559.94262,10980.61163,9365.851072,6930.794639,4864.628822,4139.872837,220.603164,234.530368,390.813968,499.882348,476.837916,432.863472,366.314912,246.864408,191.895476,48.94730648,62.43910896,90.29384951,99.07695733,89.03490164,77.32756871,59.26638435,40.99900813,34.42888639,4860.597774,4478.670461,7901.029266,10727.06437,10373.00949,9533.25878,8324.058826,5582.861272,4193.438456,68.83333333,84.52777778,125.6666667,146.2777778,137.9444444,123.6666667,94.5,61.33333333,51.66666667,70.32963997,78.1856045,60.02719059,45.44319147,39.0458807,35.1960718,28.59973862,30.95994257,34.11594063,220.970756,269.1267591,221.3540487,179.4277517,163.8897258,153.5385422,133.2845123,138.9893949,153.3286236,7.116231097,7.329074,7.237295704,7.1411764,7.116983821,7.096122492,7.044517538,7.0532688,7.107239852,1.57894537,1.951222155,1.672108324,1.415385105,1.328879129,1.267665061,1.139738161,1.171400232,1.27514394,156.7934766,139.9584519,146.3153568,153.2437767,154.8210372,156.2829308,160.0780543,159.5103221,155.3125354,2.220430108,2.641493056,2.327160494,2.08968254,2.058872305,2.027322404,1.817307692,1.752380952,1.913580247,0.079885027,-0.004793688,-0.024886632,-0.003753922,-0.010227607,-0.007134625,-0.003217236,0.011645462,0.003084351,937.285231,32.25067461,-90.07512636,8.062668653,-151.1750373,-157.2220387,-17.88904607,19.65275484,-152.4348292,1742.92191,59.9715066,-167.4985438,14.99287665,-281.1164372,-292.3610947,-33.26544507,36.54513683,-283.4590742,0.183607742,0.006317686,-0.017645099,0.001579421,-0.029614152,-0.030798718,-0.003504341,0.00384984,-0.029860937,7.791671883,0.268100538,-0.748796424,0.067025134,-1.256721271,-1.306990122,-0.148712017,0.163373765,-1.267193949,42.32448533,1.456326377,-4.067474061,0.364081594,-6.826529892,-7.099591088,-0.807806037,0.887448886,-6.883417641,6.38172043,-0.038299225,0.023239681,0.82443057,-0.30529541,-1.35865418,-1.108047173,-0.156781131,-0.628165106,0.002576936,-1.50E-04,-4.61E-04,-5.36E-05,-1.53E-04,-1.17E-04,-6.19E-05,3.33E-04,1.14E-04,30.23500745,1.007833582,-1.668057896,0.115180981,-2.25634384,-2.577410471,-0.344020117,0.561507281,-5.645734416,56.22328744,1.874109581,-3.101824886,0.214183952,-4.195767719,-4.792804831,-0.639720097,1.044146767,-10.49848423,0.00592283,1.97E-04,-3.27E-04,2.26E-05,-4.42E-04,-5.05E-04,-6.74E-05,1.10E-04,-0.001105961,0.251344254,0.008378142,-0.0138666,9.58E-04,-0.018757034,-0.021426068,-0.002859846,0.004667822,-0.046933109,1.365305978,0.045510199,-0.075323594,0.005201166,-0.101888506,-0.116386739,-0.015534731,0.025355682,-0.254941394,0.205861949,-0.001196851,4.30E-04,0.01177758,-0.004556648,-0.022273019,-0.021308599,-0.004479461,-0.023265374,-0.058132115,-0.178841656,-0.020810548,-0.059237341,-0.045387641,-0.024009098,0.129117462,0.044329862,0.033333333,-0.055169753,0.003809524,-0.074626866,-0.085245902,-0.011378205,0.018571429,-0.186728395,0.033333333,-0.055169753,0.003809524,-0.074626866,-0.085245902,-0.011378205,0.018571429,-0.186728395,0.033333333,-0.055169753,0.003809524,-0.074626866,-0.085245902,-0.011378205,0.018571429,-0.186728395,0.033333333,-0.055169753,0.003809524,-0.074626866,-0.085245902,-0.011378205,0.018571429,-0.186728395,0.033333333,-0.055169753,0.003809524,-0.074626866,-0.085245902,-0.011378205,0.018571429,-0.186728395,-0.005813851,0.002090549,0.057211056,-0.022134483,-0.108193959,-0.10350917,-0.021759538,-0.113014447,1.042211154,1.060178037,0.920483013,1.051686889,1.144220408,1.067747522,0.812657418,0.86751434,0.96875,1.040509259,0.96875,1.041044776,1.048155738,0.96875,0.941071429,1.148148148,0.96875,1.040509259,0.96875,1.041044776,1.048155738,0.96875,0.941071429,1.148148148,0.96875,1.040509259,0.96875,1.041044776,1.048155738,0.96875,0.941071429,1.148148148,0.96875,1.040509259,0.96875,1.041044776,1.048155738,0.96875,0.941071429,1.148148148,0.96875,1.040509259,0.96875,1.041044776,1.048155738,0.96875,0.941071429,1.148148148,1.024247051,0.922532684,0.881423757,1.024186146,1.160246937,1.06348422,0.861836563,1.003541452,86.95894177,43.47947089,66.64704366,86.95894177,5.797262785,43.47947089,3.55E-14,0.215057664,0.014337178,-2.305273624,161.7321294,10.78214196,7.628912167,86.95894177,43.47947089,66.64704366,86.95894177,5.797262785,43.47947089,3.55E-14,0.215057664,0.014337178,-2.305273624,161.7321294,10.78214196,7.628912167,86.95894177,43.47947089,66.64704366,86.95894177,5.797262785,43.47947089,3.55E-14,0.215057664,0.014337178,-2.305273624,161.7321294,10.78214196,7.628912167,86.95894177,43.47947089,66.64704366,86.95894177,5.797262785,43.47947089,3.55E-14,0.215057664,0.014337178,-2.305273624,161.7321294,10.78214196,7.628912167,86.95894177,43.47947089,66.64704366,86.95894177,5.797262785,43.47947089,3.55E-14,0.215057664,0.014337178,-2.305273624,161.7321294,10.78214196,7.628912167,86.95894177,43.47947089,66.64704366,86.95894177,5.797262785,43.47947089,3.55E-14,0.215057664,0.014337178,-2.305273624,161.7321294,10.78214196,7.628912167,100.2031113,49.6947648,76.43243787,100.1180743,6.674538284,49.6947648,-0.182222222,0.372748526,0.024849902,-1.480276921,237.7019815,15.84679876,8.206526566,0,11.85,12.15018815,-0.207649797,0.092640196,5.336606494,9.674655498,16,32,26,20,4,6,0,0,0,12,17.491312,3.897662174,3.646495127,3.21619056,2.790649038,2.619181914,2.619181914,2.386531278,1.980653628,2.04613331,1.875333555,1.677397112,1.225436534,1.082250302,1.082250302,0.987108183,0.722703169,3.906426604,3.659709943,3.246541462,2.81361556,2.645815032,2.645815032,2.424188802,2.034514058,2.021137942,1.836103789,1.611672147,1.145707669,1.007167592,1.007167592,0.90601566,0.612605357,3.946590247,3.720765815,3.383731333,2.921568223,2.771820215,2.771820215,2.605701245,2.257681802,1.954986575,1.733627096,1.411495926,0.945109355,0.798620231,0.798620231,0.643460083,0.300433453,3.912961318,3.669589326,3.269161466,2.830811983,2.665925019,2.665925019,2.453007229,2.073368379,2.005957086,1.812406364,1.568989938,1.097677539,0.960278991,0.960278991,0.852186465,0.543816267,3.96733368,3.752599447,3.451488921,2.980540476,2.838078588,2.838078588,2.69765936,2.361611405,1.936130563,1.704790009,1.348588856,0.892804408,0.738564276,0.738564276,0.558069875,0.202833707,3.926017498,3.699641217,3.232572868,2.835958926,2.748161606,2.748161606,2.479551438,2.096216304,1.997063589,1.795423118,1.556107097,1.074439656,0.866482806,0.866482806,0.800547235,0.487080604,0,0,0,9,3,1,2,0,0,0,0,0,0.185395406,0.165963653,0,0,0,0.059852793,0.049568251,0.537457479,0,0.083333333,0,0.284517797,0,0.027777778,0,1.375821743,2.086606549,2.527615282,0.604316276,0.779440437,0.782660423,10.5102254,7.398178148,5.967570828,4.904831544,3.962131264,3.112045291,1.761424937,1.311156659,0.700681693,0.462386134,0.298378541,0.196193262,0.132071042,0.086445703,0.055044529,0.038563431,9.110365985,5.542710979,3.812948829,2.599733309,1.783140498,1.158199048,0.579701578,0.375252318,0.607357732,0.346419436,0.190647441,0.103989332,0.059438017,0.032172196,0.018115674,0.011036833,19.33462243,30.10269483,28.80392157,29.08,21.38843593,231.424903,0.623697498,0.971054672,0.92915876,0.938064516,0.689949546,7.465319451,4.3061,65.873,93.81036697,132.2816522,187.6207339,12.50804893,93.81036697,0.150901304,0.010060087,-2.83669391,198.476294,13.23175293,7.936004501,236,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,3,0,0,9,0,0,0,0,0,0,0,0,1,0,2,0,0,9,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.39795588,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.827228259,0,0.966673739,0,0,3.827228259,0,0,0,0,0,0,0,0,2.213399943,0,2.38864418,0,0,19.37649046,0,0,0,0,4.02146542,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.292174509,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0,0.271761135,0,0,0.396597222,0,0,0,0,0,0,0,0,2.213399943,0,1.175664368,0,0,2.05054784,0,0,0,0,1.292174509,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.228009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.442347465,0,0.387353001,0,0,0.442347465,0,0,0,0,0,0,0,0,2.213399943,0,1.212979812,0,0,2.228009259,0,0,0,0,1.427945484,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,28,1.866666667,0.442347465,2.228009259,0.144097222,1.175664368,8.705379001,0.374492158,0.228009259,3.179780801,0.374492158,0.228009259,3.179780801,7.5,0.5,0,0,0.49355,0.7,0.43953,0.43953,0.7,0.05401,0.05401,0,0,0.71429,0,0,0.06667,0.2,0,20,1.33333,8,0.53333,12,0.8,4,0.26667,0,0,9.13118,0.60875,19.78936,10.65818,0.71055,3.54309,0.23621,7.39816,3.85507,0.257,0.01584,0.00106,0.18784,0.01252,0.387096774,46,0,0,0,0,0,0,0.2,0.999249248,2.415159714,3.210999536,4.066784213,4.542748326,4.478232197,30.97672669,74.86995114,99.5409856,126.0703106,140.8251981,138.8251981,0.201697548,0.487497782,0.648137323,0.820876679,0.9169496,0.903927079,3.954947062,2.539036596,1.743196775,0.887412097,0.411447984,0.475964113,0.190408356,0.460212095,0.611860497,0.774931476,0.86562711,0.85333347,6.577472113,17.95912964,23.64542361,29.03061306,30.21947419,29.44528064,53.48828937,42.92511236,31.63633086,21.68200273,19.15422122,20.29778108,11.484375,5.915,3.2256,3,12,3,3.11,1.7469,0,2.23290119,0.598408481,0,16.6761882,13.4374646,0,1.310370697,0,0,0,0,0,0,0,0,0,0,0,0.003,0.215,0.208,0.995,1.536,7.782,20,25,30,36,32,34,30,24,20,282,3.135494216,3.663561646,4.219507705,4.757891273,5.304547916,5.35629142,5.741399338,5.955189491,6.115512638,6.263338737,7.758219995,8.296930408,0.5,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.1875,4,0.25,1,5,10,1,2,1.333333333,0.4375,0.293333333,0.340277778,0.2,0.046875,0.032753842,0.025625,0.012345679,0.125,0.066666667,0.023026316,0.019555556,0.028356481,0.025,0.0078125,0.006550768,0.008541667,0.012345679,0.322855634,55.55448324,85.27309283,111.1089665,7.407264431,55.55448324,0.098263278,0.006550885,-3.480157337,129.4753655,8.631691034,7.295235953,0,205.6645585,4.906890596,4.290459441,5.093750201,5.916202063,6.739336627,7.570958583,8.401333305,9.236495329,10.06997609,10.90667132,99.22518296,3.496507561,0,4.727387819,0,6.180016654,0,7.725330038,0,9.314069558,9.546669741,196.1252005,6.326619371,30.48624611,2.032416408,0,0,0,400,19,5.343,72,1.242445474,2.190800253,2.998406456,3.83507011,4.684385141,5.627794002,6.822176123,7.576275431,8.387038557,9.335706031,106.1409453,140.3058587,144.0838155,165.2416512,183.0758567,175.4981102,220.8978451,277.6018265,210.6634479,121.2635057,355.4025622,507.4586689,561.3082595,669.1638546,770.5685392,797.5282122,971.188228,1214.229196,1091.471951,837.3891,9.13477226,15.89596347,21.46883943,27.37159363,33.35466201,39.77633439,48.15184898,53.95720687,59.25274664,64.88091524,2.538375065,3.792719353,4.38909159,5.33330088,6.249544254,6.721641581,8.117484556,9.975390264,9.571688691,8.18509597,172.0978548,317.7909887,455.3534951,588.3947608,723.9526736,891.0983221,1086.097692,1168.845553,1326.958373,1557.503752,3.372033382,5.224000918,6.416459137,8.142748679,9.858848575,10.59483198,12.07752691,14.81408694,15.81267508,14.94348414,0.520492766,0.784779663,0.916498549,1.117585509,1.313647396,1.423075954,1.716946136,2.100866289,2.038372709,1.776327142,322.1633889,239.5595033,14.61678392,152.4945109,-113.3943538,-8.199175644,169.668878,352.9538571,22.81595956,0.67872754,0.504699286,0.030794355,0.32127246,-0.238897012,-0.017273863,152.9173976,113.7088107,6.937971957,72.3827243,-53.82352582,-3.891803492,0.083876179,0.087386419,1.033520669,0.774988181,474.6578999,0,1,0,1221.261169,34.94654732,10.68897799,1378.164557,37.12363879,11.12842472,2265.857357,47.60102264,13.13441866,3.048995678,3.048995678,2127.635959,1981.276765,210.6701868,1.07387115,10.09936902,9.404637625,5.549588602,6.37628395,11.87604761,0.862534308,5.197554247,5.567155875,5.921031705,16.86934116,3.797775776,11.11475471,13.85339523,13.12625818,6.559831417,4.321974565,14.89779221,7.521256961,6.792318187,1.340394941,6.416248162,6.642742846,4.297582127,0.507762228,2.527750729,3.086154453,0.481491648,0.480019549,0.347288092,1.36E-17,1.39E-55,2.94E-115,1.21E-196,9.61E-300,0,0,0.436396643,4.641629554,0.479578572,5.440708438,0.962144211,5.617715984,6.072318068,2.611672742,1.193922759,1.414513321,2.966803244,0.675735019,0.996643703,0.827277136,0.653685156,1.115238017,0.165036034,0.327109125,0.24656215,0.172011228,0.005204823,0.038054264,0.002445978,9.56E-20,9.81E-58,2.07E-117,8.51E-199,6.77E-302,0,0,1.408250414,4.703475388,1.558036516,6.717193072,1.245209024,6.493279729,7.221586662,4.342759201,1.77823831,1.937033467,5.15516016,1.538665719,1.976719689,0.862275334,1.489745978,1.767712727,0.611636689,0.341824462,0.711968716,0.546371839,0.03999835,0.124313509,0.025488981,9.97E-19,1.02E-56,2.16E-116,8.87E-198,7.05E-301,0,0,4.90607959,5.465541309,5.576497803,15.79598931,3.519554583,10.69102674,13.22173425,12.33569132,6.050566253,4.118880456,14.08000085,6.913130853,6.365716023,1.284310504,5.94311629,6.136028252,3.904166356,0.488863367,2.388015693,2.829754828,0.430249187,0.4515635,0.309427438,1.21E-17,1.24E-55,2.62E-115,1.08E-196,8.56E-300,0,0,2.07539756,4.783661462,2.307942346,7.907109846,1.52733786,7.167517462,8.140876206,5.654366748,2.331073395,2.316795079,6.730741641,2.289710937,2.709769621,0.907007774,2.164688283,2.356893068,1.036073772,0.358505787,1.031524814,0.868823188,0.082418815,0.184702185,0.055365473,2.16E-18,2.22E-56,4.68E-116,1.93E-197,1.53E-300,0,0,6.276753707,5.994431345,7.209643187,21.26778726,4.946698432,12.78264135,16.36849326,16.22013299,8.650659681,5.102441408,18.02492437,9.987524208,8.453351956,1.576063265,8.304693064,8.709998975,5.91366485,0.586637262,3.045220124,4.124047579,0.696294733,0.586968235,0.506487044,1.98E-17,2.03E-55,4.28E-115,1.76E-196,1.40E-299,0,0,2.823315948,4.185856148,3.111089258,8.783378482,1.705552045,7.94203295,9.684914352,6.939061654,2.870210114,2.479854887,8.655129235,3.225940145,3.414738796,0.862438773,3.012947523,3.246924102,1.595674092,0.42786659,1.419479719,1.330664477,0.144953425,0.267195245,0.099668139,3.90E-18,4.00E-56,8.43E-116,3.47E-197,2.76E-300,0,0,12.62834726,1.712786069,0.354430949,0.859330545,0.116551228,0.556493352,0.474104841,0.270184271,14.69556428,26.71259877,49.07438301,0.788995818,1.300782463,10.22475135,0.910601055,0.166752487,0.904676735,0.080569156,0.365048958,0.134310241,0.057490611,11.30210489,11.16751707,24.02219923,0.857015102,0.556849811,11.01112758,1.173148441,0.22842721,0.887085381,0.094511922,0.423239649,0.222719443,0.109685626,12.41270323,15.70090733,31.0643618,0.830628072,0.755644718,12.54842714,1.686128377,0.348223811,0.860496265,0.115624624,0.549478829,0.459490002,0.260572497,14.58277933,26.11507025,48.06565919,0.790744397,1.269541329,11.42371463,1.310863025,0.260663697,0.879069062,0.100872542,0.455498726,0.277973308,0.143831777,12.99524135,18.29436721,35.1930279,0.818603594,0.877303811,12.88788949,1.799350385,0.374577136,0.855666317,0.119464364,0.579581093,0.523134881,0.302601735,15.06181701,28.69133315,52.43952985,0.783499476,1.405317709,12.55657183,1.688365283,0.347483117,0.860485898,0.115701526,0.550193859,0.460715686,0.259460359,14.59242023,26.14995511,48.10904522,0.790728847,1.270369904 +UMLYSI0025,L,4-ethylbiphenyl,CCC1=CC=C(C=C1)C2=CC=CC=C2,aromatic,C14H14,5707-44-8,79786,PubChem,,811.1,0,2.5269,6.38522361,68.6018,33.975102,12,12,28,14,14,0,14,0,0,0,0,0,0,0,0,0,2033.92259,2333.461047,3047.759755,2984.266674,2309.342293,1787.821738,1254.108415,909.023309,620.495067,6364.409047,7959.066155,11039.57152,11553.14427,9832.33874,7892.565059,5579.786445,4025.136221,3178.102417,199.62572,212.754588,348.08446,436.997448,414.328468,388.513576,282.077116,184.777844,169.696812,45.26918067,57.42312034,82.60615937,90.05542847,79.6758799,65.95772866,46.90422256,33.31534208,27.73754208,4363.968114,4045.631009,6976.827067,9248.109213,8856.792319,8730.770086,6385.736028,4040.315908,3786.727196,64.58333333,79.27777778,116.5,134.1111111,125.9444444,107.5,73.66666667,50.66666667,45.66666667,72.6400925,80.46417403,63.4949949,48.92240449,39.81624643,32.50584978,31.35271037,34.96243496,25.85396112,227.3003231,274.4505571,229.9910733,189.3958077,169.5230817,143.5011829,139.4946611,154.8129316,132.4209341,7.12949,7.336365103,7.251759583,7.16389259,7.143594276,7.0638832,7.0519279,7.106840154,7.0707005,1.616756452,1.980107598,1.720961654,1.476318499,1.373722067,1.19923143,1.172605564,1.281359311,1.15573092,155.8560041,139.5045176,145.3505639,151.6083478,152.7033159,158.7412743,159.6434007,155.3967657,157.7802998,2.306547619,2.733716475,2.427083333,2.198542805,2.171455939,1.954545455,1.841666667,1.948717949,1.902777778,0.075495548,-0.00477322,-0.020785657,-0.003222916,-0.021194648,0.00123527,0.004827734,0.003858074,-0.004709317,847.462063,30.26650225,-60.5330045,-30.26650225,-363.198027,30.26650225,60.5330045,-121.066009,-181.5990135,1575.891894,56.28185336,-112.5637067,-56.28185336,-675.3822403,56.28185336,112.5637067,-225.1274134,-337.6911202,0.166012,0.005929,-0.011858,-0.005929,-0.071148,0.005929,0.011858,-0.023716,-0.035574,7.044969994,0.251606071,-0.503212142,-0.251606071,-3.019272855,0.251606071,0.503212142,-1.006424285,-1.509636427,38.26838882,1.366728172,-2.733456344,-1.366728172,-16.40073807,1.366728172,2.733456344,-5.466912688,-8.200369033,6.00297619,-0.353280896,-0.281887755,0.893317744,-2.219458617,-0.422512755,0.174319728,-0.526573129,-1.273384354,0.00269627,-1.65E-04,-4.33E-04,-5.28E-05,-3.65E-04,2.25E-05,1.21E-04,1.48E-04,-1.96E-04,30.26650225,1.043672491,-1.26110426,-0.496172168,-6.262034948,0.550300041,1.513325113,-4.656384962,-7.566625562,56.28185336,1.940753564,-2.345077223,-0.922653334,-11.64452138,1.023306425,2.814092668,-8.658746671,-14.07046334,0.005929,2.04E-04,-2.47E-04,-9.72E-05,-0.00122669,1.08E-04,2.96E-04,-9.12E-04,-0.00148225,0.251606071,0.008676071,-0.010483586,-0.00412469,-0.052056429,0.004574656,0.012580304,-0.038708626,-0.062901518,1.366728172,0.047128558,-0.056947007,-0.02240538,-0.282771346,0.024849603,0.068336409,-0.210265873,-0.341682043,0.214392007,-0.0121821,-0.005872662,0.014644553,-0.038266528,-0.00768205,0.004357993,-0.020252813,-0.053057681,-0.06104501,-0.160605058,-0.019595477,-0.135529832,0.008329826,0.044763084,0.055034352,-0.072775199,0.034482759,-0.041666667,-0.016393443,-0.206896552,0.018181818,0.05,-0.153846154,-0.25,0.034482759,-0.041666667,-0.016393443,-0.206896552,0.018181818,0.05,-0.153846154,-0.25,0.034482759,-0.041666667,-0.016393443,-0.206896552,0.018181818,0.05,-0.153846154,-0.25,0.034482759,-0.041666667,-0.016393443,-0.206896552,0.018181818,0.05,-0.153846154,-0.25,0.034482759,-0.041666667,-0.016393443,-0.206896552,0.018181818,0.05,-0.153846154,-0.25,-0.056821614,-0.027392167,0.068307366,-0.178488594,-0.035831793,0.020327219,-0.094466267,-0.247479755,1.012478352,1.027600767,0.942319472,1.160530805,1.036752084,0.99344455,0.940339208,1.001034236,0.931034483,1.004464286,0.980093677,1.163793103,0.946753247,0.916071429,1.112637363,1.205357143,0.931034483,1.004464286,0.980093677,1.163793103,0.946753247,0.916071429,1.112637363,1.205357143,0.931034483,1.004464286,0.980093677,1.163793103,0.946753247,0.916071429,1.112637363,1.205357143,0.931034483,1.004464286,0.980093677,1.163793103,0.946753247,0.916071429,1.112637363,1.205357143,0.931034483,1.004464286,0.980093677,1.163793103,0.946753247,0.916071429,1.112637363,1.205357143,1.042586292,0.938336639,0.860229037,1.196604722,1.050615225,0.896430342,0.980282979,1.23636589,71.90390354,35.95195177,55.10311364,71.90390354,5.13599311,35.95195177,-7.11E-15,0.115592653,0.008256618,-3.020756036,123.9255834,8.851827386,6.747553752,71.90390354,35.95195177,55.10311364,71.90390354,5.13599311,35.95195177,-7.11E-15,0.115592653,0.008256618,-3.020756036,123.9255834,8.851827386,6.747553752,71.90390354,35.95195177,55.10311364,71.90390354,5.13599311,35.95195177,-7.11E-15,0.115592653,0.008256618,-3.020756036,123.9255834,8.851827386,6.747553752,71.90390354,35.95195177,55.10311364,71.90390354,5.13599311,35.95195177,-7.11E-15,0.115592653,0.008256618,-3.020756036,123.9255834,8.851827386,6.747553752,71.90390354,35.95195177,55.10311364,71.90390354,5.13599311,35.95195177,-7.11E-15,0.115592653,0.008256618,-3.020756036,123.9255834,8.851827386,6.747553752,71.90390354,35.95195177,55.10311364,71.90390354,5.13599311,35.95195177,-7.11E-15,0.115592653,0.008256618,-3.020756036,123.9255834,8.851827386,6.747553752,81.19400768,40.25003923,61.92434279,81.13686483,5.795490345,40.25003923,-0.133333333,0.187598828,0.013399916,-2.342829283,136.5623209,9.75445149,6.883493503,0,11.85,12.15017245,-0.207649795,0.09262357,5.54621866,9.635358961,15,29,23,17,3,6,0,0,0,12,15.304898,3.896515719,3.641189224,3.091082225,2.661492046,2.619181914,2.619181914,2.223403084,1.578588372,2.044190036,1.863126771,1.572572191,1.082250302,1.082250302,1.072121864,0.859277778,0.609066174,3.905257111,3.654215688,3.119428748,2.689394188,2.645815032,2.645815032,2.256997683,1.665903342,2.019432247,1.825821896,1.499407264,1.007845356,1.007167592,1.007167592,0.753307015,0.48960607,3.945294478,3.714170487,3.255146991,2.808758906,2.771820215,2.771820215,2.421848091,2.019831412,1.953658682,1.726740244,1.283881427,0.832237574,0.798620231,0.798620231,0.458344857,0.083906356,3.91177377,3.663944085,3.140984079,2.709739344,2.665925019,2.665925019,2.282607512,1.728804994,2.004364051,1.803106334,1.452454866,0.968472547,0.960278991,0.960278991,0.686327175,0.409568204,3.96595373,3.745236103,3.325863402,2.866088738,2.838078588,2.838078588,2.512936479,2.172271293,1.934871631,1.698524902,1.219323391,0.778888029,0.738564276,0.738564276,0.377267525,0.06472418,3.912603262,3.685804085,3.122024284,2.734597139,2.734597139,2.726075711,2.305127343,1.753600152,2.003107939,1.781120895,1.431685977,0.942630332,0.87881441,0.87881441,0.634301243,0.350798152,0,0,0,9,3,1,1,0,0,0,0,0,0.185395406,0.165963653,0,0,0,0.059852793,0.049568251,0.537457479,0,0.083333333,0,0.284517797,0,0.027777778,0,1.435608321,2.026819971,2.372306673,0.638834073,0.735964822,0.706364237,9.803118619,6.898178148,5.587143984,4.785258388,3.67345613,2.89240575,1.683431525,1.187965607,0.700222759,0.459878543,0.29406021,0.199385766,0.131194862,0.085070757,0.056114384,0.039598854,8.403259204,5.042710979,3.416502219,2.469306465,1.563500957,1.026050179,0.533556002,0.316907921,0.6002328,0.336180732,0.179815906,0.102887769,0.05583932,0.030177946,0.0177852,0.010563597,17.79279463,27.21485798,26.07843137,26.32,19.58988144,208.3966479,0.635456951,0.971959213,0.931372549,0.94,0.699638623,7.442737425,3.916,61.256,85.03584683,120.369833,170.0716937,12.14797812,85.03584683,0.116459159,0.008318511,-3.010300491,95.84767895,6.846262782,6.387864355,201,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,2,0,0,9,0,0,0,0,0,0,0,0,1,0,1,0,0,9,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.21568106,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.874356104,0,0.694912604,0,0,3.874356104,0,0,0,0,0,0,0,0,2.178099017,0,1.106219923,0,0,19.24101978,0,0,0,0,3.974661281,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.28717876,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0.307559603,0,0,0.406597222,0,0,0,0,0,0,0,0,2.178099017,0,1.106219923,0,0,2.04554784,0,0,0,0,1.28717876,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.196759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.44441358,0,0.387353001,0,0,0.44441358,0,0,0,0,0,0,0,0,2.178099017,0,1.106219923,0,0,2.196759259,0,0,0,0,1.393223262,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26.5,1.892857143,0.44441358,2.196759259,0.159722222,1.106219923,8.022133948,0.393780077,0.196759259,2.838237591,0.393780077,0.196759259,2.838237591,7,0.5,0,0,0.5,0.7,0.44,0.44,0.7,0.06,0.06,0,0,0.71429,0,0,0.07143,0.21429,0,19.5,1.39286,7.5,0.53571,12,0.85714,4.5,0.32143,0,0,7.7464,0.55331,18.04578,10.29938,0.73567,3.04309,0.21736,6.89816,3.85507,0.27536,0.01584,0.00113,0.18784,0.01342,0.428571429,43,0,0,0,0,0,0,0.142857143,1,2.283487404,2.948815636,3.896291529,4.351823226,4.137537511,28,63.93764732,82.5668378,109.0961628,121.8510503,115.8510503,0.208014598,0.474998714,0.613396698,0.810485515,0.905242757,0.860668201,3.807354922,2.523867518,1.858539286,0.911063393,0.455531697,0.669817411,0.194959022,0.445186471,0.574898212,0.759617186,0.8484272,0.806650266,6.503912516,16.73786748,22.81593861,28.77811264,29.23720889,26.66578032,49,41.73097651,31.77369511,21.59192547,20.1537924,24.45526723,10.51555556,5.185595568,2.75,2,12,2,3,1.606,0,2.183242085,0.766309432,0,14.67718125,12.79901936,0,1.310370697,0,0,0,0,0,0,0,0,0,0,0,0.003,0.215,0.208,0.995,1.536,7.283,19,24,28,34,30,30,24,20,16,254,3.091042453,3.63758616,4.204692619,4.731802837,5.281933887,5.323924195,5.685703361,5.858825613,6.046078494,6.172548359,7.693588461,8.634781004,0.444444444,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.133333333,3,0.2,0,5,9,0.8,2,1.333333333,0.4375,0.293333333,0.3125,0.16,0.046875,0.032753842,0.015625,0,0.133333333,0.070175439,0.024305556,0.022564103,0.03125,0.022857143,0.009375,0.010917947,0.015625,0,0.34040352,47.26919412,72.35175243,94.53838823,6.752742017,47.26919412,0.052160699,0.003725764,-4.134796351,104.7835463,7.484539018,6.512655461,0,188.3685739,4.807354922,4.234106505,5.043425117,5.866468057,6.693323668,7.524561226,8.35678967,9.191055611,10.02530688,10.86078586,96.79582259,3.433987204,0,4.672828834,0,6.137727054,0,7.690286021,0,9.282754052,9.514068023,182.1095504,6.503912516,28.47504054,2.033931467,0,0,0,319,18,4.774,68,1.241696159,2.194536097,3.016218883,3.875549905,4.619980027,5.620335614,6.768266283,7.476986111,8.19594691,9.279435528,108.6150349,148.146299,153.9800142,166.7940902,166.3942968,191.1596615,247.0249646,207.0143111,113.7227792,43.63325968,361.1184088,527.0676875,591.4400133,687.2611553,710.6111705,827.8529338,1074.080611,1029.595825,773.8241862,546.4253709,9.137384682,15.95358912,21.66105027,27.73221357,32.74828081,39.73823363,48.14676611,52.95840806,57.11976718,63.57458913,2.569019729,3.904548989,4.581696887,5.492229135,5.835198568,6.861568865,8.822501445,8.883433732,7.476426986,6.188743729,171.4884248,316.3145108,453.349717,588.7601187,725.156755,889.6995278,1048.677229,1173.1653,1354.789747,1617.87521,3.487555048,5.455906815,6.774496805,8.583291012,9.379041263,10.66598086,13.35004196,14.47115333,13.51134049,12.36343925,0.526372538,0.806550238,0.954867992,1.150895126,1.229877513,1.448959925,1.858391649,1.886420223,1.618724377,1.37457311,294.2896081,203.3045397,13.96170123,154.3499814,-106.6298335,-7.975906894,139.9396268,309.9343732,21.93760812,0.655959962,0.453157823,0.031120083,0.344040038,-0.237673705,-0.017777983,132.029969,91.21046523,6.263771906,69.24751228,-47.83836473,-3.578307595,0.090282526,0.089345361,1.052542528,1.208210183,448.6395895,0,1,0,1159.188872,34.04686287,10.50472613,1296.718187,36.00997344,10.90473712,2133.899473,46.19414977,12.87433045,2.770600558,2.770600558,1613.520712,1461.644331,198.7739872,1.103907892,8.117363515,7.353297839,5.177453066,5.602406929,10.58459619,0.889294428,4.639768262,4.489692862,5.628228637,12.81030192,4.013943586,10.22401079,14.5030139,9.520158724,5.34644966,6.210219346,11.60507435,4.274151204,4.421292975,2.43937006,3.546785594,2.706889796,3.738142296,2.999126694,0.935270659,1.055400919,4.68E-08,4.80E-37,1.06E-87,4.78E-160,4.27E-254,0,0,0,0,0,0.389599383,3.682262723,0.457828745,4.386198283,0.964917297,5.657725738,5.965079026,1.865123942,1.155436551,1.577722913,1.87453114,0.289375889,1.207537872,0.754771765,0.274481045,0.085950357,0.213467647,0.176120402,0.040379097,0.007433275,3.30E-10,3.38E-39,7.47E-90,3.37E-162,3.00E-256,0,0,0,0,0,1.257149462,3.736217068,1.486015381,5.434521399,1.264481448,6.523932106,7.174130697,3.156362183,1.729008021,2.414609797,3.542587319,0.866828912,1.829352638,1.045409851,0.690272045,0.327846472,0.688323543,0.618336991,0.155461525,0.077460456,3.44E-09,3.52E-38,7.78E-89,3.51E-161,3.13E-255,0,0,0,0,0,4.379575969,4.401044198,5.302077219,12.05713034,3.713085917,9.921163551,13.79151418,8.955539816,4.990150666,5.888165218,10.89682471,3.946743816,4.212457026,2.317411151,3.257252971,2.44275099,3.435830972,2.778892726,0.856577052,0.940343218,4.17E-08,4.27E-37,9.45E-88,4.26E-160,3.80E-254,0,0,0,0,0,1.852695393,3.806171473,2.199910172,6.353460288,1.565970962,7.138113719,8.162580131,4.123316555,2.206449884,3.021382993,4.782122438,1.333283198,2.266358076,1.260727194,1.050569903,0.580926098,1.086925619,0.961697884,0.254529098,0.168254462,7.47E-09,7.65E-38,1.69E-88,7.63E-161,6.80E-255,0,0,0,0,0,5.60314321,4.862448476,6.846747003,15.86856848,5.2575479,11.37177608,17.35176064,11.71967008,6.778898316,7.44630474,14.35519914,5.581158563,5.208248239,2.912307931,4.720079566,3.802605448,4.955717084,3.868386202,1.253784525,1.539203052,6.83E-08,6.99E-37,1.55E-87,6.98E-160,6.22E-254,0,0,0,0,0,2.512215191,3.432649063,2.908612,7.02173215,2.069573094,7.865188101,9.560216111,5.05422415,2.822859952,3.379293821,5.987486766,1.923660133,2.797810045,1.42943064,1.529331914,0.900229128,1.608842092,1.396799409,0.383713905,0.29456544,1.31E-08,1.34E-37,2.96E-88,1.33E-160,1.19E-254,0,0,0,0,0,10.17488958,1.831435935,0.299768661,0.826817139,0.148823494,0.570366547,0.503290612,0.21426791,12.30609418,22.23377853,40.12595929,0.740225709,1.287925069,8.036533693,0.962909717,0.1315703,0.880135979,0.105454854,0.356380751,0.139591509,0.038268657,9.131013711,8.92251586,19.0716806,0.820203969,0.534240916,8.722835574,1.242037075,0.186039597,0.859315435,0.122357188,0.419553116,0.232006971,0.078869719,10.15091225,12.68794607,24.85442716,0.788973153,0.730429806,10.10181829,1.8018073,0.294085029,0.828173303,0.147716843,0.562220245,0.487194898,0.205847146,12.19771062,21.70220801,39.25271608,0.742259954,1.255262289,9.088030528,1.390407677,0.21481495,0.849884539,0.130026631,0.455289549,0.290582157,0.106583953,10.69325315,14.88699259,28.29466193,0.774826808,0.852455659,10.41314971,1.928024583,0.318276438,0.822559361,0.152299229,0.597338936,0.557564676,0.242903211,12.65945073,24.00471363,43.0541395,0.733839042,1.397806822,10.10288719,1.803085527,0.29375303,0.828124123,0.147797218,0.562331275,0.487861991,0.205567045,12.19972575,21.71378524,39.26462478,0.742186185,1.255760311 +UMLYSI0026,L,acenaphthene,C1CC2=CC=CC3=C2C1=CC=C3,aromatic,C12H10,83-32-9,6734,PubChem,,805.8,0,1.6814,2.82710596,56.4434,27.78793,10,11,22,12,10,0,12,0,0,0,0,0,0,0,0,0,1741.330092,2140.768574,3129.456308,2943.881154,2101.49454,637.687346,64.685376,2.032128,0,5393.040265,7076.602788,10827.23785,11084.59945,8741.887523,4370.496506,956.2863764,62.16748886,0,157.670832,176.743544,306.599888,388.770696,351.0444,281.559368,135.965952,13.436928,0,37.91292905,50.1800431,78.93811201,84.93634392,69.98541963,41.20316973,11.56798372,0.88922581,0,3370.708793,3306.346462,5968.17338,8049.070962,7409.632269,6390.196568,3571.172623,369.835304,0,49.61111111,62.91666667,100.3333333,116,101,70.33333333,24,2,0,79.15136782,89.19869058,74.51086448,54.51631767,42.88764367,15.94218365,3.2342688,1.016064,0,245.1381939,294.8584495,257.7913774,205.2703601,178.4058678,109.2624127,47.81431882,31.08374443,0,7.166856,7.364314333,7.299997333,7.199457333,7.164171429,7.0389842,6.7982976,6.718464,0,1.723314957,2.090835129,1.879478857,1.572895258,1.42827387,1.030079243,0.578399186,0.444612905,0,153.2140361,137.7644359,142.0993662,149.0568697,151.2169851,159.7549142,178.5586312,184.917652,0,2.255050505,2.621527778,2.388888889,2.148148148,2.06122449,1.758333333,1.2,1,0,0.051647425,-8.93E-04,-0.015344161,0.001523689,-0.01003951,-0.033034539,0.024297142,0.007667128,0,660.3600491,50.02727645,-28.01527481,-102.055644,-348.1898441,-430.2345774,456.2487612,72.03927808,0,1227.96771,93.02785679,-52.0955998,-189.7768279,-647.4738833,-800.0395684,848.414054,133.9601138,0,0.12936,0.0098,-0.005488,-0.019992,-0.068208,-0.08428,0.089376,0.014112,0,5.489587008,0.415877804,-0.23289157,-0.848390719,-2.894509513,-3.576549111,3.792805569,0.598864037,0,29.81952376,2.25905483,-1.265070705,-4.608471853,-15.72302162,-19.42787154,20.60258005,3.253038955,0,4.03030303,0.3684573,-0.249770432,-0.503673095,-1.393250689,-2.72681359,2.103764922,0.386134068,0,0.00234761,-3.72E-05,-3.65E-04,2.82E-05,-2.05E-04,-8.26E-04,0.001214857,0.003833564,0,30.01636587,2.084469852,-0.667030353,-1.889919332,-7.105915185,-10.75586444,22.81243806,36.01963904,0,55.81671408,3.8761607,-1.240371424,-3.514385701,-13.21375272,-20.00098921,42.4207027,66.98005689,0,0.00588,4.08E-04,-1.31E-04,-3.70E-04,-0.001392,-0.002107,0.0044688,0.007056,0,0.249526682,0.017328242,-0.005545037,-0.015710939,-0.059071623,-0.089413728,0.189640278,0.299432019,0,1.355432898,0.094127285,-0.030120731,-0.085342071,-0.320877992,-0.485696788,1.030129002,1.626519478,0,0.183195592,0.015352388,-0.005946915,-0.00932728,-0.028433688,-0.06817034,0.105188246,0.193067034,0,-0.015857662,-0.155620884,0.012019232,-0.087275115,-0.351789004,0.517486716,1.632964491,0,0.069444444,-0.022222222,-0.062962963,-0.236734694,-0.358333333,0.76,1.2,0,0.069444444,-0.022222222,-0.062962963,-0.236734694,-0.358333333,0.76,1.2,0,0.069444444,-0.022222222,-0.062962963,-0.236734694,-0.358333333,0.76,1.2,0,0.069444444,-0.022222222,-0.062962963,-0.236734694,-0.358333333,0.76,1.2,0,0.069444444,-0.022222222,-0.062962963,-0.236734694,-0.358333333,0.76,1.2,0,0.083803258,-0.032462108,-0.050914323,-0.155209452,-0.372117794,0.574185464,1.053884712,0,0.877220445,0.959138865,0.85428229,1.072334285,1.418429288,0.712502688,1.40E-05,0,0.802083333,0.916666667,0.998148148,1.178571429,1.3475,0.385,0,0,0.802083333,0.916666667,0.998148148,1.178571429,1.3475,0.385,0,0,0.802083333,0.916666667,0.998148148,1.178571429,1.3475,0.385,0,0,0.802083333,0.916666667,0.998148148,1.178571429,1.3475,0.385,0,0,0.802083333,0.916666667,0.998148148,1.178571429,1.3475,0.385,0,0,0.814144737,0.871867168,0.954191033,1.11358754,1.458223684,0.521052632,0,0,40.684237,20.3421185,27.425687,40.684237,3.390353083,20.34211851,-3.55E-15,4.44E-16,3.70E-17,-42.42060745,5000033.077,416669.4231,18.5099461,40.684237,20.3421185,27.425687,40.684237,3.390353083,20.34211851,-3.55E-15,4.44E-16,3.70E-17,-42.42060745,5000033.077,416669.4231,18.5099461,40.684237,20.3421185,27.425687,40.684237,3.390353083,20.34211851,-3.55E-15,4.44E-16,3.70E-17,-42.42060745,5000033.077,416669.4231,18.5099461,40.684237,20.3421185,27.425687,40.684237,3.390353083,20.34211851,-3.55E-15,4.44E-16,3.70E-17,-42.42060745,5000033.077,416669.4231,18.5099461,40.684237,20.3421185,27.425687,40.684237,3.390353083,20.34211851,-3.55E-15,4.44E-16,3.70E-17,-42.42060745,5000033.077,416669.4231,18.5099461,40.684237,20.3421185,27.425687,40.684237,3.390353083,20.34211851,-3.55E-15,4.44E-16,3.70E-17,-42.42060745,5000033.077,416669.4231,18.5099461,46.3163787,22.32501973,30.40519109,46.26390957,3.855325797,22.32501973,-0.157407407,0.025295855,0.002107988,-4.412537682,357.5250861,29.79375718,7.055046637,0,11.85,12.1501417,-0.207496795,0.0927497,7.28047827,9.929758607,14,24,19,13,3,5,0,0,0,11,10.93207,4.057707741,3.301358199,3.229488915,2.500501738,2.305533294,2.294392598,1.543243733,0.871184302,2.082183718,1.749327543,1.393194559,1.172873093,0.876910646,0.666154499,0.564809568,0.270656726,4.064242276,3.316725271,3.249427888,2.521654469,2.334639342,2.326968949,1.622616354,0.984964687,2.06479342,1.701676321,1.326226823,1.122045674,0.806668634,0.554918684,0.435100327,0.107501688,4.094391148,3.388078341,3.343285924,2.629375058,2.481037059,2.467365035,1.967295907,1.459249771,2.019422708,1.572586921,1.130175939,0.997132195,0.628927543,0.227917582,0.015404904,0.448107352,4.069124485,3.328240765,3.264449996,2.537984946,2.357071107,2.350884828,1.681272441,1.067920642,2.054289428,1.67233233,1.28357979,1.09197884,0.764601553,0.483646386,0.346452458,0.002668148,4.110097626,3.425251068,3.392572576,2.690969157,2.562746201,2.533067561,2.125909977,1.667782747,2.006695061,1.535596091,1.07003917,0.964857312,0.58183098,0.129829256,0.177541687,0.646448915,4.063898723,3.415055215,3.243877539,2.596526903,2.391160174,2.328335632,1.742042422,1.193984758,2.040851667,1.688506161,1.216513547,1.06595904,0.695960689,0.369307585,0.276300963,0.146752455,0,0,0,6,4,0,2,0,0,0,0,0.096225045,0.327721083,0.572489917,0,0,0.0625,0.151531306,0.220523514,0.611111111,0,0.166666667,0,0.349957479,0,0.07186437,0,1.755861571,3.352409259,4.496491567,0.878597136,1.45561725,1.636317457,7.966255326,5.949489743,5.296746824,4.840901281,4.455023179,3.552182478,2.353299641,1.666524929,0.663854611,0.424963553,0.264837341,0.16692763,0.108659102,0.07249352,0.049027076,0.032676959,6.878315178,4.445140653,3.432385463,2.740964657,2.187781683,1.466161589,0.846107717,0.51599539,0.573192931,0.317510047,0.171619273,0.094516023,0.053360529,0.029921665,0.017627244,0.010117557,14.70913902,21.43918427,20.62745098,20.8,15.99277246,162.3401377,0.668597228,0.974508376,0.937611408,0.945454545,0.726944203,7.379097169,2.88369,51.09,104.8626442,117.7473685,209.7252885,17.47710737,104.8626442,0.015197855,0.001266488,-5.023921142,119.7384574,9.978204786,5.742371811,114,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,2,0,0,6,0,0,0,0,0,0,0,0,0,0,2,0,0,6,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.20101852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.521944444,0,0.845416667,0,0,2.521944444,0,0,0,0,0,0,0,0,0,0,2.465648148,0,0,13.22074074,0,0,0,0,3.061296296,2.918981481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.405092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0.422708333,0,0,0.406597222,0,0,0,0,0,0,0,0,0,0,1.232824074,0,0,2.159490741,0,0,0,0,1.530648148,1.405092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.248842593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.43,0,0.422708333,0,0,0.43,0,0,0,0,0,0,0,0,0,0,1.232824074,0,0,2.248842593,0,0,0,0,1.530648148,1.513888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.66666667,1.805555556,0.43,2.248842593,0.159722222,1.232824074,6.728642963,0.267175926,0.248842593,2.441481481,0.267175926,0.248842593,2.441481481,6,0.5,0,0,0.51818,0.7,0.45,0.45,0.7,0.06818,0.06818,0,0,0.71429,0,0,0,0.33333,0,17,1.41667,7,0.58333,10,0.83333,3,0.25,0,0,6.5838,0.54865,14.43605,7.85225,0.65435,2.74701,0.22892,5.94947,3.20245,0.26687,-0.03547,-0.00296,0.22253,0.01854,0.545454545,64,0,0,0,0,0,0,0.166666667,0.994030211,2.413088436,2.936260028,3.368522528,3.368522528,3.368522528,21.86866465,53.0879456,64.59772061,74.10749561,74.10749561,74.10749561,0.222905136,0.541120179,0.658438177,0.755370374,0.755370374,0.755370374,3.465401407,2.046343182,1.523171591,1.090909091,1.090909091,1.090909091,0.203584452,0.494217663,0.601366923,0.689897356,0.689897356,0.689897356,6.244890829,18.42229006,24.70034916,25.13599413,25.13599413,25.13599413,39.51325774,34.58164546,26.1580349,24.9776845,24.9776845,24.9776845,7.408163265,2.75,1.070154578,0,10,0,2.78,1.2586,0,0,0,0,10.6222019,14.98699319,0,4.242640687,0,0,0,0,0,0,0,0,0,0,0,0.003,0.175,0.172,1.021,1.616,6.678,20,29,41,49,48,51,54,41,29,388,3.020424886,3.701301974,4.40976339,5.082180461,5.6407983,5.894316742,6.268148865,6.631311899,6.815914075,6.528597333,8.251845261,9.880658022,0.4,3,0,0,1,2,0,0,0,0,0,0,0,4,0,0,0,0,0,2,1,1,0,0,7,0,1,2,0,0,2,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,5,0.666666667,1.5,1.333333333,0.847222222,0.256666667,0,0,0,0,0,0,0.107142857,0.066666667,0.047067901,0.021388889,0,0,0,0,0,0,0.242266314,28.06534929,38.33676489,56.13069857,4.677558214,28.06534929,1.11E-16,9.25E-18,-44.08416068,5000037.86,416669.8217,18.50994725,0,144.0566046,4.584962501,4.234106505,5.117993812,6.018593214,6.91671502,7.82284529,8.723719437,9.630694093,10.53233618,11.43933274,96.4363363,3.36729583,0,4.691347882,2.397895273,6.244166901,4.727387819,7.904334842,6.86171134,9.618402106,9.877400218,154.0782503,7.003556833,25.46171132,2.121809277,0,0,0,166,18,3.458,68,1.331722311,2.393648487,3.312565691,4.349247741,5.450177598,6.403052285,7.145591412,0,0,0,131.2283957,186.2651135,190.0441496,197.6239053,84.43527165,19.95001407,7.260378192,0,0,0,421.7363908,637.1327921,705.5449447,810.1800977,593.070167,300.4315627,222.1117373,0,0,0,9.847029593,17.50892319,23.90085959,31.24670047,38.37665643,43.50253202,48.00739866,0,0,0,2.94212022,4.613610498,5.362040088,6.428751743,5.613227392,3.657732021,3.177022154,0,0,0,180.9855872,337.7479846,490.0930829,651.2036171,869.4899486,1145.496619,1321.345986,0,0,0,3.567776374,5.774574501,7.226330589,9.173629585,9.558163177,7.615212962,7.145591412,0,0,0,0.600501925,0.948728245,1.113327716,1.344841138,1.208774753,0.822465863,0.731708561,0,0,0,250.8419053,125.1668754,12.2531856,136.6129419,-68.16809601,-5.941230899,114.2289634,193.3349714,18.1944165,0.647409387,0.323048934,0.031624809,0.352590613,-0.175938168,-0.015333996,97.18991211,48.4965126,4.747556154,52.93134655,-26.41205923,-2.301958711,0.12497721,0.122065908,2.596102011,1.673720368,387.4548473,0,1,0,963.1505335,31.03466664,9.875628019,1061.294768,32.57751937,10.20027799,1749.899334,41.83179812,12.05048025,2.782526644,2.782526644,817.9971834,444.4799377,380.1758624,1.840346693,2.151628402,1.169142972,4.592127961,3.92550111,7.178802537,0.828760796,3.279379517,4.134528011,3.501098485,13.36269392,1.823942677,9.852732831,7.142552936,5.365761185,6.640744228,1.303164673,5.238680562,3.49470719,2.371580317,3.34E-05,5.16E-30,1.55E-76,9.01E-145,1.01E-234,0,0,0,0,0,0,0,0,0,0,0,0,0.275604022,4.13444313,0.69793929,8.256013454,0.816678985,0.985569301,1.854085212,1.001003484,3.876428759,0.104426636,0.42049206,0.025975096,0.016703234,2.35E-07,3.63E-32,1.09E-78,6.35E-147,7.11E-237,0,0,0,0,0,0,0,0,0,0,0,0,0.888738639,4.134449051,1.260362752,8.663835688,0.897748705,2.603921733,2.933422072,1.882725238,4.440321093,0.339277124,1.370020809,0.259989918,0.174060577,2.45E-06,3.79E-31,1.14E-77,6.62E-146,7.41E-236,0,0,0,0,0,0,0,0,0,0,0,0,3.095490533,4.13451878,3.326037937,12.82558025,1.718222615,9.242100968,6.818742906,5.0952927,6.471386262,1.226298607,4.931698382,3.114658723,2.113035366,2.97E-05,4.60E-30,1.38E-76,8.03E-145,8.99E-235,0,0,0,0,0,0,0,0,0,0,0,0,1.309636332,4.134456502,1.649347096,9.132206902,0.99037733,3.771767278,3.674398165,2.490736698,4.8275234,0.50341558,2.031927809,0.561382289,0.378082833,5.32E-06,8.23E-31,2.48E-77,1.44E-145,1.61E-235,0,0,0,0,0,0,0,0,0,0,0,0,3.960237653,4.13456677,4.153189691,15.60627148,2.265398876,12.19059876,8.341536843,6.370887029,7.267946512,1.591716601,6.388940815,5.092260877,3.458727008,4.87E-05,7.53E-30,2.26E-76,1.31E-144,1.47E-234,0,0,0,0,0,0,0,0,0,0,0,0,1.840941199,4.010031411,1.967161945,9.668642565,0.992186626,5.057752315,4.610036866,3.082824572,5.606558211,0.732509988,2.937573583,1.074702256,0.727471738,1.02E-05,1.58E-30,4.76E-77,2.77E-145,3.10E-235,0,0,0,0,0,0,0,0,0,0,0,0,4.215219869,3.823650412,0.150154946,0.514740125,0.466923755,0.535303048,0.492008799,0.181817439,8.189025227,17.32460332,27.93375498,0.472495821,1.209129285,2.873735094,2.45982441,0.021592921,0.536629934,0.459337889,0.243254904,0.201316974,0.003759924,5.355152425,7.184050862,12.69184114,0.493951735,0.448331802,3.272305386,2.887179774,0.060842636,0.52606639,0.464152352,0.313735986,0.276531134,0.029851921,6.220327796,9.822493239,16.61764607,0.485328112,0.620119042,4.164183143,3.775504387,0.145441575,0.515042257,0.466968967,0.521048688,0.479086389,0.170582072,8.085129105,16.87665238,27.24839817,0.473016836,1.170717148,3.495891396,3.118767202,0.082473429,0.52199828,0.465686982,0.35860842,0.322928532,0.054850975,6.697132028,11.44840501,19.04473423,0.481527892,0.736387927,4.384390953,3.981483209,0.165694854,0.513902067,0.466676552,0.584384946,0.535727354,0.221398306,8.531569017,18.84256126,30.26656245,0.470867928,1.341510606,4.169134428,3.778695721,0.145468507,0.515134138,0.466891917,0.520051702,0.478881336,0.170645245,8.093298655,16.91004941,27.29504298,0.473039082,1.169578283 +UMLYSI0027,L,"1,1-diphenylpropane",CCC(C1=CC=CC=C1)C2=CC=CC=C2,aromatic,C15H16,1530-03-6,73726,PubChem,,805.8,0,2.048,4.194304,72.0614,37.068688,12,12,31,15,16,0,15,0,0,0,0,0,0,0,0,0,2180.218839,2501.939344,3252.559316,3337.394612,3096.278658,2857.194832,1953.342394,892.012132,255.345721,6850.093437,8612.05629,12036.7715,13098.19614,12679.02505,12322.02146,9632.811028,5193.756266,1776.582255,220.603164,234.530368,391.213136,514.540496,521.211528,541.319488,534.790504,362.228368,158.540068,48.94730648,62.43910896,90.96278092,102.9794016,101.411166,100.7321561,83.99070793,48.55137316,17.92183515,4860.597774,4478.670461,7869.234161,11006.98127,11180.9651,11724.78423,12200.70442,8620.142218,3940.621866,69.58333333,85.11111111,125.1111111,146,149,160,144.3333333,88,34,70.32963997,78.1856045,60.23257993,46.35270294,42.41477614,37.59466884,25.70187361,17.15407946,11.10198787,220.970756,269.1267591,222.903176,181.9193908,173.6852747,162.1318613,126.7475135,99.8799282,77.24270673,7.116231097,7.329074,7.244687704,7.146395778,7.139883945,7.122624842,7.036717158,6.965930154,6.893046435,1.57894537,1.951222155,1.684495943,1.430269467,1.389194054,1.325423107,1.105140894,0.933680253,0.779210224,156.7934766,139.9584519,145.7265585,152.8747399,153.1639055,154.2734767,160.5355845,165.7719657,171.3313855,2.244623656,2.659722222,2.316872428,2.027777778,2.04109589,2.105263158,1.899122807,1.692307692,1.47826087,0.088579879,-0.00324698,-0.037732408,-0.004018818,0.010160225,-0.005452825,-0.021021587,-0.006906111,0.012482114,937.285231,32.25067461,-148.6554533,10.07833582,-203.7083627,-360.8044222,-149.9152453,83.65018728,187.2050878,1742.92191,59.9715066,-276.4311632,18.74109581,-378.8043991,-670.9312301,-278.7738002,155.5510952,348.1158547,0.183607742,0.006317686,-0.029120583,0.001974277,-0.03990507,-0.070679109,-0.029367367,0.016386497,0.036672191,7.791671883,0.268100538,-1.235775917,0.083781418,-1.693431913,-2.999374768,-1.246248594,0.69538577,1.556239841,42.32448533,1.456326377,-6.712754394,0.455101993,-9.198749029,-16.29265134,-6.769642143,3.77734654,8.453519516,6.657706093,-0.005087293,-1.306971904,-0.394958955,-0.114203954,-1.546132501,-1.065845763,-0.210775812,0.901809458,0.002857415,-1.01E-04,-6.99E-04,-5.58E-05,1.39E-04,-7.17E-05,-2.77E-04,-1.33E-04,5.43E-04,30.23500745,1.007833582,-2.752878765,0.139976886,-2.790525516,-4.747426608,-1.972569017,1.608657448,8.139351643,56.22328744,1.874109581,-5.119095615,0.260292997,-5.189101357,-8.828042501,-3.668076318,2.991367216,15.13547194,0.00592283,1.97E-04,-5.39E-04,2.74E-05,-5.47E-04,-9.30E-04,-3.86E-04,3.15E-04,0.001594443,0.251344254,0.008378142,-0.022884739,0.001163631,-0.023197697,-0.039465457,-0.016398008,0.013372803,0.067662602,1.365305978,0.045510199,-0.124310267,0.006320861,-0.126010261,-0.214376991,-0.089074239,0.07264128,0.367544327,0.214764713,-1.59E-04,-0.024203183,-0.005485541,-0.001564438,-0.020343849,-0.014024286,-0.004053381,0.039209107,-0.035510461,-0.244538574,-0.019534056,0.048708761,-0.0251093,-0.096800707,-0.046479004,0.189927086,0.033333333,-0.091049383,0.00462963,-0.092294521,-0.157017544,-0.065241228,0.053205128,0.269202899,0.033333333,-0.091049383,0.00462963,-0.092294521,-0.157017544,-0.065241228,0.053205128,0.269202899,0.033333333,-0.091049383,0.00462963,-0.092294521,-0.157017544,-0.065241228,0.053205128,0.269202899,0.033333333,-0.091049383,0.00462963,-0.092294521,-0.157017544,-0.065241228,0.053205128,0.269202899,0.033333333,-0.091049383,0.00462963,-0.092294521,-0.157017544,-0.065241228,0.053205128,0.269202899,-7.40E-04,-0.112696276,-0.025542097,-0.007284426,-0.094726217,-0.065300701,-0.018873589,0.182567734,1.019406865,1.123607529,0.897986094,0.873249587,0.996752621,1.092254901,1.100488441,0.962888073,0.96875,1.076388889,0.96875,1.061643836,1.121710526,1.019736842,0.894230769,0.673913043,0.96875,1.076388889,0.96875,1.061643836,1.121710526,1.019736842,0.894230769,0.673913043,0.96875,1.076388889,0.96875,1.061643836,1.121710526,1.019736842,0.894230769,0.673913043,0.96875,1.076388889,0.96875,1.061643836,1.121710526,1.019736842,0.894230769,0.673913043,0.96875,1.076388889,0.96875,1.061643836,1.121710526,1.019736842,0.894230769,0.673913043,1.024814939,1.026843128,0.907469717,0.898467892,1.118279379,1.108397677,1.039859199,0.783662005,80.02291703,40.01145851,58.91192059,80.02291703,5.334861135,40.01145851,1.42E-14,6.38E-16,4.26E-17,-52.48140107,4000044.952,266669.6634,22.80272424,80.02291703,40.01145851,58.91192059,80.02291703,5.334861135,40.01145851,1.42E-14,6.38E-16,4.26E-17,-52.48140107,4000044.952,266669.6634,22.80272424,80.02291703,40.01145851,58.91192059,80.02291703,5.334861135,40.01145851,1.42E-14,6.38E-16,4.26E-17,-52.48140107,4000044.952,266669.6634,22.80272424,80.02291703,40.01145851,58.91192059,80.02291703,5.334861135,40.01145851,1.42E-14,6.38E-16,4.26E-17,-52.48140107,4000044.952,266669.6634,22.80272424,80.02291703,40.01145851,58.91192059,80.02291703,5.334861135,40.01145851,1.42E-14,6.38E-16,4.26E-17,-52.48140107,4000044.952,266669.6634,22.80272424,80.02291703,40.01145851,58.91192059,80.02291703,5.334861135,40.01145851,1.42E-14,6.38E-16,4.26E-17,-52.48140107,4000044.952,266669.6634,22.80272424,103.2560055,51.02987271,76.65669247,103.1755734,6.878371562,51.02987271,-0.241296296,2.78E-16,1.85E-17,-53.73076476,4000043.049,266669.5366,22.80272352,0,11.85,12.15018815,-0.209747359,0.090480001,6.07633411,10.8106313,16,32,26,20,4,6,0,0,0,12,17.491312,3.870485858,3.685571875,3.21509721,2.724314483,2.619181914,2.619181914,2.504002052,1.916242595,2.042983505,1.887024474,1.671453521,1.220105365,1.082250302,1.082250302,0.918665126,0.824234051,3.880883415,3.697839778,3.242838204,2.758152788,2.645815032,2.645815032,2.524959487,1.981758906,2.014566444,1.85438747,1.601226138,1.147244787,1.007167592,1.007167592,0.844854126,0.70561075,3.928229204,3.753641659,3.371758905,2.905664879,2.771820215,2.771820215,2.62904968,2.268493643,1.938059268,1.765197588,1.398642794,0.934887342,0.798620231,0.798620231,0.652258884,0.32433442,3.888621186,3.706968874,3.263678142,2.783015732,2.665925019,2.665925019,2.541019993,2.0301691,1.997167141,1.834252271,1.556673494,1.101125185,0.960278991,0.960278991,0.799840051,0.627134539,3.95246893,3.782107253,3.437867932,2.976874363,2.838078588,2.838078588,2.687104756,2.403420976,1.915949452,1.739187207,1.338129761,0.868482867,0.738564276,0.738564276,0.600771853,0.196713539,3.884372232,3.757104241,3.225373066,2.800729689,2.742360059,2.742360059,2.569409089,2.046903539,2.021290689,1.778565198,1.551622587,1.075269344,0.871754989,0.871754989,0.748328518,0.568047376,0,0,0,10,2,1,1,1,0,0,0,0,0.204124145,0.11785113,0,0,0,0.06415003,0.037037037,0.469416097,0,0.136082763,0,0.294512162,0,0.068041382,0,1.420539814,2.542597881,3.228851735,0.792294364,1.215757703,1.265603704,10.5102254,7.4150149,5.868283094,4.98206207,4.176205131,3.17931264,1.574538213,1.082782745,0.700681693,0.463438431,0.293414155,0.191617772,0.13050641,0.08831424,0.056233508,0.038670812,9.057959742,5.514072546,3.782201353,2.812131127,2.034548065,1.27583394,0.578530876,0.328285308,0.603863983,0.344629534,0.189110068,0.10815889,0.063579627,0.035439832,0.020661817,0.011724475,19.33462243,30.10269483,28.80392157,29.08,21.38843593,231.424903,0.623697498,0.971054672,0.92915876,0.938064516,0.689949546,7.465319451,4.2118,64.091,89.86965424,126.2670935,179.7393085,11.98262057,89.86965424,1.11E-16,7.40E-18,-55.10520085,4000049.405,266669.9604,22.80272591,194,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,3,0,0,10,0,0,0,0,0,0,0,0,1,0,1,0,0,10,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,24.24444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.112018141,0,1.199787415,0,0,4.112018141,0,0,0,0,0,0,0,0,2.240740741,0,1.146851852,0,0,21.42740741,0.53462963,0,0,0,2.817037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.408518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0,0.309231859,0,0,0.396597222,0,0,0,0,0,0,0,0,2.240740741,0,1.146851852,0,0,2.070648148,0.53462963,0,0,0,1.408518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.209490741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.427953515,0,0.518611111,0,0,0.427953515,0,0,0,0,0,0,0,0,2.240740741,0,1.146851852,0,0,2.209490741,0.53462963,0,0,0,1.408518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,28.16666667,1.877777778,0.518611111,2.240740741,0.144097222,0.53462963,8.718202407,0.798703704,0.240740741,3.336296296,0.798703704,0.240740741,3.336296296,7.5,0.5,0,0,0.49355,0.7,0.43953,0.43953,0.7,0.05401,0.05401,0,0,0.71429,0,0,0.06667,0.2,0,20,1.33333,8,0.53333,12,0.8,4,0.26667,0,0,9.43905,0.62927,20.28966,10.85062,0.72337,3.50238,0.23349,7.415,3.91262,0.26084,-0.001,-7.00E-05,0.171,0.0114,0.419354839,46,0,0,0,0,0,0,0.2,0.999249248,2.246185443,2.841811038,3.461787842,3.768554778,3.768554778,30.97672669,69.63174872,88.09614217,107.3154231,116.8251981,116.8251981,0.201697548,0.45339048,0.573616962,0.698758714,0.76067934,0.76067934,3.954947062,2.708010868,2.112385273,1.492408468,1.185641532,1.185641532,0.190408356,0.428013809,0.541511107,0.659648563,0.718103436,0.718103436,6.577472113,16.12583906,20.16898313,24.16584711,24.4750145,24.4750145,53.48828937,45.54698107,38.50820971,30.1946732,28.97396154,28.97396154,11.484375,5.915,2.982248521,3,6,3,3.11,1.7469,0,2.671830007,1.144714243,0,16.65145183,13.51709168,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.199,0.204,0.94,1.273,7.337,20,26,32,36,28,28,24,16,12,253,3.135494216,3.63758616,4.166665224,4.684443367,5.166926538,4.98446242,5.315666005,5.557551738,5.614495784,5.731873777,7.382036854,6.347270257,0.5,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.1875,4,0.25,1,4,8,1,1.5,1.333333333,0.875,0.382222222,0.194444444,0.158367347,0.048611111,0,0,0,0.09375,0.066666667,0.04375,0.021234568,0.012152778,0.015836735,0.012152778,0,0,0,0.265543525,50.05776027,72.81017873,100.1155205,6.674368036,50.05776027,1.17E-15,7.77E-17,-51.57813797,4000047.605,266669.8403,22.80272523,0,205.6645585,4.906890596,4.290459441,5.105945474,5.937536205,6.771935556,7.61332498,8.452974619,9.297343416,10.13875728,10.98422436,99.59250133,3.496507561,0,4.727387819,0,6.192362489,0,7.75319427,0,9.358156747,9.586582621,196.1252005,6.326619371,30.43794118,2.029196079,0,0,0,364,20,5.012,72,1.247191072,2.20588464,3.016363953,3.835062025,4.507714655,5.133184324,6.013841141,6.847249043,7.76986845,8.59148721,106.8751237,142.1041833,146.4862388,172.951187,181.8072099,142.096908,106.9622436,76.6343056,36.43769631,8.72950086,357.5281958,514.9077897,569.9632573,691.6240663,762.5268523,684.927699,613.1625434,535.0537569,456.7992505,267.0555927,9.170715099,16.0207392,21.61302732,27.42422128,32.16418878,36.21980768,41.92696638,47.23006871,53.22884976,57.72159753,2.552238322,3.847781125,4.45041606,5.471726158,6.157138096,5.898378227,5.696316438,5.38639212,5.176094581,3.819886085,172.6896968,318.7830859,456.9047194,584.5785348,691.5029124,816.6226038,994.3136762,1170.61049,1354.960377,1588.717642,3.403210481,5.220920267,6.241082849,7.944753976,9.656998773,10.03657242,10.28697152,10.19928437,10.34339211,8.59148721,0.523283103,0.796063024,0.928991696,1.144912119,1.292888251,1.253169845,1.226792415,1.176376352,1.149751385,0.87976829,297.7627697,235.468641,14.51130593,124.5366598,-98.48268831,-7.433741705,173.2261099,333.9513294,21.94504763,0.705098679,0.557586927,0.034362599,0.294901321,-0.233205828,-0.017603011,125.7450478,99.43827277,6.128116215,52.59176037,-41.58918309,-3.139264881,0.078462288,0.081471726,0.322848852,0.599549161,422.2994295,0,1,0,1204.5885,34.70718225,10.64011293,1361.7042,36.9012764,11.08394237,2361.992512,48.60033448,13.31760631,2.08631902,2.08631902,1449.02514,1051.787741,453.2893753,1.377678293,3.196688956,2.320345012,5.322101165,5.283302063,9.15213733,0.732275994,5.378392197,6.213639584,8.07237092,18.65772977,7.121570748,12.16081537,9.503085269,18.26908987,11.98445972,5.88860302,15.1261347,7.169973017,8.72829697,2.264078199,5.398498419,0.433012434,1.15987048,6.08E-06,6.05E-32,1.26E-79,5.08E-149,3.95E-240,0,0,0,0,0,0,0,0,0.44394258,5.65216596,0.612350501,8.419736402,2.037609706,3.113754393,3.600712074,4.223033824,2.836967189,1.470314555,5.260768625,0.521035729,2.854438706,0.078095526,0.307009411,0.003049813,0.008169063,4.28E-08,4.26E-34,8.87E-82,3.58E-151,2.78E-242,0,0,0,0,0,0,0,0,1.437650425,5.766760012,2.004623365,9.419466235,2.612303912,4.583832596,4.752257304,6.461295941,3.756624368,2.298458715,7.153505595,1.395375076,3.747343554,0.325844449,1.087299753,0.031780844,0.085127931,4.46E-07,4.44E-33,9.25E-81,3.73E-150,2.90E-241,0,0,0,0,0,0,0,0,5.071526323,6.179261376,7.569515607,17.64533901,6.646522323,11.47372517,9.122906366,17.18673855,11.08924814,5.592037914,14.47938019,6.592113327,8.260424433,2.060046484,4.995178635,0.385806332,1.033423716,5.42E-06,5.39E-32,1.12E-79,4.53E-149,3.52E-240,0,0,0,0,0,0,0,0,2.123813637,5.845429597,2.999116167,10.42941166,3.144302785,5.704821416,5.558569508,8.184507548,4.669284746,2.888843518,8.48873598,2.138949936,4.451174699,0.554842234,1.699844433,0.069032067,0.184909241,9.69E-07,9.64E-33,2.01E-80,8.10E-150,6.30E-241,0,0,0,0,0,0,0,0,6.520008469,6.340932512,9.986626988,22.84400884,9.06645744,14.85608018,10.93210786,22.52913834,15.67962949,7.016262747,17.56937613,9.503476674,10.58356122,3.099231057,6.995840486,0.63150771,1.691562088,8.86E-06,8.82E-32,1.84E-79,7.41E-149,5.77E-240,0,0,0,0,0,0,0,0,2.890821952,4.767250316,4.125093181,9.991215306,3.540856893,6.846480527,6.516736839,10.0430086,5.839664772,3.606826265,10.46151997,3.18104717,5.734749258,0.871364334,2.523303783,0.122804109,0.328943345,1.72E-06,1.71E-32,3.57E-80,1.44E-149,1.12E-240,0,0,0,0,0,0,0,0,5.988986887,3.428095124,0.343957921,0.613560331,0.351201834,0.468923868,0.502268162,0.240511587,9.761039932,23.76989669,40.59267367,0.447143247,1.211703617,5.227368068,2.210608564,0.145588118,0.689302227,0.291499926,0.354822664,0.206381181,0.04307664,7.583564751,12.63854564,21.90447786,0.53395334,0.604280485,5.471685752,2.613581811,0.210932894,0.65954117,0.31503359,0.388960741,0.290400607,0.090434672,8.296200457,16.00614724,27.31883539,0.489311754,0.76979602,5.962877925,3.388372955,0.337418527,0.61544859,0.349725314,0.464601914,0.490755011,0.231448994,9.688669407,23.35973959,39.8657662,0.447760857,1.186805918,5.601612123,2.823360813,0.245023741,0.646091611,0.325647277,0.407997352,0.339789083,0.122031107,8.669996677,17.87969054,30.42482887,0.469137417,0.869817541,6.07421612,3.556663076,0.365173484,0.607661475,0.355806756,0.483270338,0.540244888,0.271114485,9.99605268,25.1208819,43.00612068,0.445202347,1.294629711,5.980055615,3.389513092,0.336751552,0.616099145,0.349206806,0.467236315,0.49110739,0.230490961,9.706320259,23.4246936,39.95679163,0.447958926,1.188834666 +UMLYSI0028,L,"1,5-dimethylnaphthalene",CC1=CC=CC2=C1C=CC=C2C,aromatic,C12H12,571-61-9,11306,PubChem,,779.7,0,2.8406,8.06900836,57.7168,29.121516,10,11,24,12,12,0,12,0,0,0,0,0,0,0,0,0,1743.36222,2020.718629,2820.778146,2939.816898,2175.153132,1123.988381,234.184608,17.273088,0,5455.207754,6882.559119,9875.065793,10960.26447,9461.390966,6255.412399,2562.599006,528.4236553,0,171.10776,183.438292,304.157448,361.89684,400.468656,366.243764,235.6128,114.213888,0,38.80215486,49.61823172,72.91167501,83.1578923,77.1112984,56.24711149,27.15760406,7.558419382,0,3740.544097,3485.797202,6148.010181,7309.400354,8513.285207,8307.658088,5714.888291,3143.600084,0,55.11111111,68.33333333,100.2222222,118.7777778,120.6666667,96.33333333,52,17,0,72.6400925,80.82874516,67.16138443,58.79633796,38.84202021,21.61516117,6.887782588,1.016064,0,227.3003231,275.3023648,235.1206141,219.2052894,168.9534101,120.2963923,75.37055899,31.08374443,0,7.12949,7.33753168,7.241844,7.2379368,7.151226,7.043149308,6.929788235,6.718464,0,1.616756452,1.984729269,1.735992262,1.663157846,1.376987471,1.081675221,0.798753061,0.444612905,0,155.8560041,139.4318881,146.3811948,146.1880071,152.0229501,159.7626555,168.0849497,184.917652,0,2.296296296,2.733333333,2.386243386,2.375555556,2.154761905,1.852564103,1.529411765,1,0,0.054874251,-0.002954656,-0.010503938,0.002745418,-0.017159414,-0.024735431,2.26E-04,0.024944669,0,726.396054,30.26650225,181.5990135,-181.5990135,-484.264036,-363.198027,-60.5330045,514.5305383,0,1350.764481,56.28185336,337.6911202,-337.6911202,-900.5096538,-675.3822403,-112.5637067,956.7915071,0,0.142296,0.005929,0.035574,-0.035574,-0.094864,-0.071148,-0.011858,0.100793,0,6.038545709,0.251606071,1.509636427,-1.509636427,-4.025697139,-3.019272855,-0.503212142,4.277303211,0,32.80147613,1.366728172,8.200369033,-8.200369033,-21.86765075,-16.40073807,-2.733456344,23.23437893,0,5.037037037,-0.839506173,1.037037037,-0.308641975,-2.271604938,-2.209876543,-1.283950617,3.358024691,0,0.002286427,-1.18E-04,-2.50E-04,5.49E-05,-3.06E-04,-4.76E-04,6.65E-06,0.001467333,0,30.26650225,1.21066009,4.323786036,-3.63198027,-8.647572071,-6.984577442,-1.780382485,30.26650225,0,56.28185336,2.251274134,8.040264766,-6.753822403,-16.08052953,-12.98812001,-3.310697256,56.28185336,0,0.005929,2.37E-04,8.47E-04,-7.11E-04,-0.001694,-0.001368231,-3.49E-04,0.005929,0,0.251606071,0.010064243,0.035943724,-0.030192729,-0.071887449,-0.05806294,-0.014800357,0.251606071,0,1.366728172,0.054669127,0.195246882,-0.164007381,-0.390493763,-0.315398809,-0.080395775,1.366728172,0,0.209876543,-0.033580247,0.024691358,-0.00617284,-0.040564374,-0.042497626,-0.037763253,0.197530864,0,-0.051690367,-0.109381908,0.024014922,-0.134016126,-0.208045715,0.002910093,0.64175825,0,0.04,0.142857143,-0.12,-0.285714286,-0.230769231,-0.058823529,1,0,0.04,0.142857143,-0.12,-0.285714286,-0.230769231,-0.058823529,1,0,0.04,0.142857143,-0.12,-0.285714286,-0.230769231,-0.058823529,1,0,0.04,0.142857143,-0.12,-0.285714286,-0.230769231,-0.058823529,1,0,0.04,0.142857143,-0.12,-0.285714286,-0.230769231,-0.058823529,1,0,-0.16,0.117647059,-0.029411765,-0.193277311,-0.202488688,-0.179930796,0.941176471,0,0.990137396,0.974761677,0.932592905,1.116148693,1.252700691,1.016343609,0.086851993,0,0.92,0.821428571,1.073333333,1.232142857,1.179487179,1.014705882,0,0,0.92,0.821428571,1.073333333,1.232142857,1.179487179,1.014705882,0,0,0.92,0.821428571,1.073333333,1.232142857,1.179487179,1.014705882,0,0,0.92,0.821428571,1.073333333,1.232142857,1.179487179,1.014705882,0,0,0.92,0.821428571,1.073333333,1.232142857,1.179487179,1.014705882,0,0,1.156764706,0.74894958,0.923382353,1.168723739,1.209841629,1.208693772,0,0,42.91365203,21.45682601,29.61130691,42.91365203,3.576137669,21.45682602,-7.11E-15,7.22E-16,6.01E-17,-41.83799807,94.91066814,7.909222345,5.463523337,42.91365203,21.45682601,29.61130691,42.91365203,3.576137669,21.45682602,-7.11E-15,7.22E-16,6.01E-17,-41.83799807,94.91066814,7.909222345,5.463523337,42.91365203,21.45682601,29.61130691,42.91365203,3.576137669,21.45682602,-7.11E-15,7.22E-16,6.01E-17,-41.83799807,94.91066814,7.909222345,5.463523337,42.91365203,21.45682601,29.61130691,42.91365203,3.576137669,21.45682602,-7.11E-15,7.22E-16,6.01E-17,-41.83799807,94.91066814,7.909222345,5.463523337,42.91365203,21.45682601,29.61130691,42.91365203,3.576137669,21.45682602,-7.11E-15,7.22E-16,6.01E-17,-41.83799807,94.91066814,7.909222345,5.463523337,42.91365203,21.45682601,29.61130691,42.91365203,3.576137669,21.45682602,-7.11E-15,7.22E-16,6.01E-17,-41.83799807,94.91066814,7.909222345,5.463523337,49.50671155,24.05063311,34.09077457,49.47708192,4.12309016,24.05063311,-0.088888889,0.017486283,0.00145719,-4.855606264,87.67880589,7.306567157,5.368416245,0,11.89,12.11019763,-0.150948923,0.069274639,6.497296537,9.809886897,13,25,20,14,2,5,0,0,0,11,13.118484,4.011593619,3.362955713,3.035904497,2.690024723,2.487686527,2.173894599,1.822680185,0.909977061,2.125244951,1.659508645,1.427944852,1.353609498,0.897164727,0.8708064,0.583261287,0.276149542,4.018105469,3.379470351,3.056669458,2.733055799,2.507041332,2.231819957,1.877933637,1.015110182,2.105624396,1.608082945,1.361883341,1.258829231,0.807183803,0.801037757,0.479907431,0.113456363,4.048254495,3.457267549,3.15865609,2.930091525,2.602343031,2.470913169,2.113790996,1.472973215,2.054623861,1.473910106,1.181110713,0.970188976,0.623520853,0.515258141,0.159562907,0.440988011,4.022975865,3.391899896,3.072530785,2.765307388,2.521820152,2.273742552,1.918251733,1.093371242,2.093795305,1.57694451,1.320654875,1.19736958,0.75906496,0.747919746,0.412548678,0.003592892,4.064033189,3.498580367,3.214593018,3.027949786,2.655342931,2.577116385,2.224729936,1.678629166,2.040352658,1.436703059,1.131146993,0.879384459,0.576531537,0.412973092,0.055090663,0.639486323,3.996642658,3.424726895,3.096351876,2.82590197,2.528359918,2.338332697,1.967497244,1.186892817,2.116747649,1.538280241,1.262458458,1.115082848,0.729592928,0.683189123,0.349825543,0.112775552,0,0,0,6,4,2,0,0,0,0,0,0,0.136082763,0.310875228,0,0,0,0.048112522,0.099946561,0.743570048,0,0.248005645,0,0.433012702,0,0.104166667,0,1.94548283,3.098141575,4.326243161,0.944177252,1.252189953,1.492022581,8.552041764,5.7876937,5.144084309,4.405593715,3.620370305,2.801346573,1.533372951,1.009236283,0.712670147,0.445207208,0.285782462,0.183566405,0.12067901,0.080038474,0.05476332,0.03881678,7.464101615,4.238033872,3.244942519,2.358083782,1.624198421,1.059739864,0.485843918,0.276282012,0.622008468,0.326002606,0.180274584,0.098253491,0.054139947,0.030278282,0.017351569,0.010626231,15.25096682,23.32702112,22.35294118,22.56,16.79132695,178.6256982,0.635456951,0.971959213,0.931372549,0.94,0.699638623,7.442737425,2.89584,51.228,86.47249794,106.9927553,172.9449959,14.41208299,86.47249794,0,0,0,120.1894986,10.01579155,5.746883583,108,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,6,0,0,0,0,0,0,0,0,2,0,0,0,0,6,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.35759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.528055556,0,0,0,0,2.528055556,0,0,0,0,0,0,0,0,4.309074074,0,0,0,0,12.89703704,0,0,0,0,2.715185185,2.74537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.357592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.415277778,0,0,0,0,0.415277778,0,0,0,0,0,0,0,0,2.154537037,0,0,0,0,2.115740741,0,0,0,0,1.357592593,1.372685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.178240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.424375,0,0,0,0,0.424375,0,0,0,0,0,0,0,0,2.154537037,0,0,0,0,2.178240741,0,0,0,0,1.357592593,1.372685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.66666667,1.888888889,0.424375,2.178240741,0.1775,1.357592593,7.177724815,0.309074074,0.178240741,2.412222222,0.309074074,0.178240741,2.412222222,6,0.5,0,0,0.5,0.7,0.44118,0.44118,0.7,0.05882,0.05882,0,0,0.71429,0,0,0.16667,0.33333,0,16.5,1.375,6.5,0.54167,10,0.83333,3.5,0.29167,0,0,7.02882,0.58574,15.35691,8.32808,0.69401,2.46842,0.2057,5.78767,3.31925,0.2766,0.12633,0.01053,0.29833,0.02486,0.416666667,37,0,0,0,0,0,0,0.166666667,1,2.396240625,2.79248125,3.188721876,3.188721876,3.188721876,24,57.509775,67.01955001,76.52932501,76.52932501,76.52932501,0.218104292,0.522630365,0.609052146,0.695473927,0.695473927,0.695473927,3.584962501,2.188721876,1.79248125,1.396240625,1.396240625,1.396240625,0.202809424,0.485980181,0.566341514,0.646702847,0.646702847,0.646702847,6.503912516,17.76271253,22.51760004,22.91694126,22.91694126,22.91694126,42,34.7548875,27.509775,26.30225625,26.30225625,26.30225625,8.591715976,3.395061728,1.5625,0,10,0,2.78,1.3672,0.2,3.570980654,3.614408014,0,6.120463943,11.10631515,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0.003,0.189,0.172,0.871,1.408,6.322,18,24,30,35,28,26,20,18,6,230,2.970414466,3.650658241,4.320815904,4.937168142,5.490228215,5.641796249,5.941978829,6.136257968,6.423399144,5.445271454,7.820306214,10.82464334,0.4,2,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,3,0,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.153846154,0,3,5,0.666666667,2,1.777777778,1,0.666666667,0.125,0,0,0,0,0,0.153846154,0.098765432,0.055555556,0.055555556,0.025,0,0,0,0,0,0.388722697,29.98366867,41.93661746,59.96733733,4.997278111,29.98366867,1.11E-16,9.25E-18,-44.08416068,90.83729691,7.569774742,5.410883952,0,156.4130633,4.584962501,4.143134726,4.990432587,5.860786223,6.725033642,7.598399329,8.466951975,9.339876293,10.20990551,11.08221947,93.41673975,3.295836866,0,4.59511985,0,6.12905021,0,7.771067086,0,9.463198053,9.670356795,156.0939004,6.503912516,24.35749109,2.029790924,0,0,0,176,18,4.008,62,1.252780295,2.202893944,3.116841143,3.97486901,4.807052593,5.87680786,6.884796308,0,0,0,110.508287,160.3958046,192.7877944,167.9839586,111.9394947,41.58541929,6.995393676,0,0,0,366.5001367,550.1116647,708.7406793,708.9198027,608.5506487,451.2895672,214.0052489,0,0,0,9.221906217,16.01227434,22.61045205,28.50391921,33.95498103,40.7648839,46.25525614,0,0,0,2.603661965,4.010221501,5.334322671,5.696845597,5.406819781,4.760899346,3.061069286,0,0,0,172.8352187,318.4017701,452.0818831,598.6967145,760.4903223,984.6287696,1273.120368,0,0,0,3.51511058,5.441415624,7.573136503,8.810759326,9.166147452,9.08789156,6.884796308,0,0,0,0.533325316,0.826142518,1.105069226,1.194404854,1.15359061,1.043630242,0.705003142,0,0,0,303.9348212,163.8252801,13.00529052,187.7170006,-101.1821879,-8.86196111,116.2178206,265.007468,21.86725163,0.618191183,0.33321402,0.026452237,0.381808817,-0.205800494,-0.018024872,149.4301085,80.54499741,6.394074775,92.2914053,-49.74640703,-4.356999324,0.115711588,0.113002727,1.702251926,1.421513345,491.6518217,0,1,0,977.8975263,31.27135313,9.925775523,1095.415833,33.09706683,10.30844136,1793.485091,42.34955833,12.14971033,1.238840527,1.238840527,848.2602592,538.5101105,316.4927254,1.57519839,2.680188804,1.701492853,4.596649447,4.407215106,7.718395069,0.751308907,3.836901901,4.605026118,5.70977506,16.09450012,1.164585621,7.53955509,7.694037295,8.841238853,9.838408137,1.940049031,9.1547733,2.678465932,5.211552631,0.017938808,6.73E-04,4.94E-27,7.11E-72,2.00E-138,1.10E-226,0,0,0,0,0,0,0,0,0,0,0,0.322137681,4.604903568,0.432646566,8.938618815,1.028957059,0.567272017,1.375276306,0.759822499,4.029350077,0.077096282,0.488265707,0.215989345,0.098838968,1.26E-04,4.74E-06,3.48E-29,5.01E-74,1.41E-140,7.73E-229,0,0,0,0,0,0,0,0,0,0,0,1.03957599,4.604912085,1.427160688,9.922325478,1.056641739,1.384012774,2.660845956,2.20610345,5.211607583,0.305332256,1.760550938,0.667176119,0.542131652,0.001316653,4.94E-05,3.63E-28,5.22E-73,1.47E-139,8.06E-228,0,0,0,0,0,0,0,0,0,0,0,3.621730554,4.605012779,5.357470556,15.4876891,1.156282537,6.898174691,7.3057129,8.274576551,9.481545319,1.772216372,8.448487975,2.509511029,4.686182219,0.015983167,5.99E-04,4.40E-27,6.33E-72,1.78E-138,9.78E-227,0,0,0,0,0,0,0,0,0,0,0,1.532074898,4.604922831,2.134407012,10.73922894,1.075646404,2.124747514,3.544603465,3.259296459,6.024228062,0.507150663,2.781425391,0.992180401,1.024685966,0.002859903,1.07E-04,7.88E-28,1.13E-72,3.19E-139,1.75E-227,0,0,0,0,0,0,0,0,0,0,0,4.633584549,4.605082133,7.047402702,18.53283197,1.195328202,10.15789461,9.133524492,11.02099835,11.16111442,2.622525548,11.96935583,3.324698998,7.397897233,0.026162007,9.81E-04,7.21E-27,1.04E-71,2.92E-138,1.60E-226,0,0,0,0,0,0,0,0,0,0,0,2.150864721,4.130477619,2.832395609,11.30698378,1.214168147,2.883899569,4.490757721,4.373209179,7.019966546,0.72440813,4.108982262,1.4080102,1.687194077,0.005027898,1.89E-04,1.39E-27,1.99E-72,5.60E-139,3.08E-227,0,0,0,0,0,0,0,0,0,0,0,5.318514495,3.032109438,0.139366526,0.626445285,0.357139322,0.54931704,0.472162841,0.166669221,8.489990458,17.29011544,28.0275748,0.475376911,1.188149102,3.428164925,2.005910806,0.021583152,0.628368635,0.367675261,0.252951551,0.229448278,0.003997313,5.455658883,6.993877552,12.59795499,0.494065844,0.486397141,4.014383894,2.356544704,0.059417497,0.624287377,0.366472453,0.32842124,0.307846046,0.030294734,6.430346096,9.838619739,16.83105982,0.486139744,0.66656202,5.251621635,2.999443917,0.135345909,0.626206055,0.35765523,0.536238076,0.463545605,0.15719138,8.386411461,16.86869253,27.38706525,0.475791927,1.156975061,4.336137119,2.532972051,0.079536276,0.624026244,0.364527457,0.37616753,0.348397368,0.054283638,6.948645447,11.5296575,19.35187485,0.482830551,0.778848536,5.537256055,3.137952227,0.152474706,0.627260411,0.355467254,0.593382839,0.500646791,0.199495945,8.827682989,18.6983948,30.17542415,0.474091496,1.293525575,5.252568699,3.004580675,0.135143383,0.625880061,0.358016666,0.536553375,0.465409496,0.156721304,8.392292757,16.89766551,27.42275958,0.47584509,1.158684174 +UMLYSI0029,L,3-methylbiphenyl,CC1=CC=CC(=C1)C2=CC=CC=C2,aromatic,C13H12,643-93-6,12564,PubChem,,779.7,0,2.862,8.191044,63.7534,30.881516,12,12,25,13,12,0,13,0,0,0,0,0,0,0,0,0,1887.626341,2164.98275,2854.051218,2677.53496,2071.26966,1731.264874,1141.085238,482.32733,81.787104,5878.724656,7306.076021,10126.02441,10404.87139,8584.180141,7184.948638,5345.060671,2941.087982,968.1733981,178.648276,190.978808,305.354952,374.488,370.002288,306.295336,262.297176,202.46708,103.171968,41.59105486,52.40713172,74.91846922,80.69640673,69.31246413,57.94664818,45.23289096,27.61631951,10.682782,3867.338453,3612.591558,6052.624868,7731.892041,8059.770538,6638.938679,5793.721054,4769.438752,2582.994154,60.33333333,74.11111111,107.4444444,121.4444444,108.6666667,92.33333333,75.66666667,49.66666667,21,75.50505364,83.26856731,67.95360043,51.49105692,39.83210885,40.26197381,30.84014157,16.6319769,5.4524736,235.1489862,281.0029239,241.0958193,200.0936805,165.0803873,167.0918288,144.4610992,101.416827,64.54489321,7.14593104,7.345338769,7.270356,7.201692308,7.115428615,7.123147349,7.089112865,6.981623448,6.8781312,1.663642194,2.015658912,1.783773077,1.551853976,1.332932003,1.347596469,1.222510567,0.95228688,0.712185467,154.6935381,138.9458291,144.1101159,148.6902316,154.9955873,154.3939228,156.5870555,164.4634052,172.1996103,2.413333333,2.85042735,2.558201058,2.335470085,2.08974359,2.147286822,2.045045045,1.712643678,1.4,0.071538875,-0.002795134,-0.018928616,-0.017823617,0.001790607,0.003560186,-0.016208965,-0.001051871,0.006715626,755.4518962,27.89360847,-34.28589375,-263.8270468,-55.59351133,-88.7171714,-202.8097783,-4.648934746,113.3177844,1404.79506,51.86935606,-63.75608349,-490.5976594,-103.3785083,-164.9733686,-377.133443,-8.644892676,210.719259,0.14798784,0.005464166,-0.006716371,-0.051681907,-0.010890387,-0.017379085,-0.039729043,-9.11E-04,0.022198176,6.280087537,0.231880155,-0.285019357,-2.193199802,-0.462150032,-0.737507716,-1.685961962,-0.038646693,0.942013131,34.11353518,1.259576683,-1.548229673,-11.91349613,-2.510406307,-4.006153618,-9.158172136,-0.209929447,5.117030276,5.573333333,-0.658488889,0.134577778,-1.948088889,0.074133333,0.040533333,-1.648533333,-0.2784,0.576,0.002861555,-1.08E-04,-4.51E-04,-3.43E-04,3.44E-05,8.28E-05,-4.38E-04,-3.63E-05,4.48E-04,30.21807585,1.072831095,-0.816330804,-5.073597054,-1.069105987,-2.063190032,-5.481345359,-0.160308095,7.554518962,56.19180239,1.994975233,-1.518001988,-9.434570372,-1.988048236,-3.836589967,-10.19279576,-0.298099747,14.0479506,0.005919514,2.10E-04,-1.60E-04,-9.94E-04,-2.09E-04,-4.04E-04,-0.001073758,-3.14E-05,0.001479878,0.251203501,0.008918468,-0.006786175,-0.042176919,-0.008887501,-0.017151342,-0.04556654,-0.001332645,0.062800875,1.364541407,0.048445257,-0.036862611,-0.229105695,-0.048277044,-0.093166363,-0.247518166,-0.007238946,0.341135352,0.222933333,-0.025326496,0.003204233,-0.037463248,0.001425641,9.43E-04,-0.044554955,-0.0096,0.0384,-0.037568794,-0.157495259,-0.119781677,0.012033577,0.028933578,-0.153091634,-0.012675426,0.156456342,0.035502959,-0.027014652,-0.167899408,-0.035379684,-0.068276685,-0.181392931,-0.00530504,0.25,0.035502959,-0.027014652,-0.167899408,-0.035379684,-0.068276685,-0.181392931,-0.00530504,0.25,0.035502959,-0.027014652,-0.167899408,-0.035379684,-0.068276685,-0.181392931,-0.00530504,0.25,0.035502959,-0.027014652,-0.167899408,-0.035379684,-0.068276685,-0.181392931,-0.00530504,0.25,0.035502959,-0.027014652,-0.167899408,-0.035379684,-0.068276685,-0.181392931,-0.00530504,0.25,-0.113605693,0.014373054,-0.168046865,0.006394921,0.00422833,-0.199857752,-0.043062201,0.172248804,0.953298777,1.029911272,1.057077773,0.93139318,0.973968024,1.197855805,1.029224134,0.795117876,0.887573964,0.961538462,1.109467456,0.99852071,1.02862254,1.143451143,0.99469496,0.769230769,0.887573964,0.961538462,1.109467456,0.99852071,1.02862254,1.143451143,0.99469496,0.769230769,0.887573964,0.961538462,1.109467456,0.99852071,1.02862254,1.143451143,0.99469496,0.769230769,0.887573964,0.961538462,1.109467456,0.99852071,1.02862254,1.143451143,0.99469496,0.769230769,0.887573964,0.961538462,1.109467456,0.99852071,1.02862254,1.143451143,0.99469496,0.769230769,1.058152374,0.865800866,1.090357011,0.933934487,0.968064983,1.222035433,1.072430292,0.861244019,57.56593763,28.78296881,43.7618614,57.56593763,4.428149048,28.78296881,3.55E-14,0.003958609,3.05E-04,-7.19142133,68.68012927,5.283086867,5.498297894,57.56593763,28.78296881,43.7618614,57.56593763,4.428149048,28.78296881,3.55E-14,0.003958609,3.05E-04,-7.19142133,68.68012927,5.283086867,5.498297894,57.56593763,28.78296881,43.7618614,57.56593763,4.428149048,28.78296881,3.55E-14,0.003958609,3.05E-04,-7.19142133,68.68012927,5.283086867,5.498297894,57.56593763,28.78296881,43.7618614,57.56593763,4.428149048,28.78296881,3.55E-14,0.003958609,3.05E-04,-7.19142133,68.68012927,5.283086867,5.498297894,57.56593763,28.78296881,43.7618614,57.56593763,4.428149048,28.78296881,3.55E-14,0.003958609,3.05E-04,-7.19142133,68.68012927,5.283086867,5.498297894,57.56593763,28.78296881,43.7618614,57.56593763,4.428149048,28.78296881,3.55E-14,0.003958609,3.05E-04,-7.19142133,68.68012927,5.283086867,5.498297894,64.80411019,32.09822792,49.7862343,64.77452439,4.982655723,32.09822792,-0.076923077,0.00880462,6.77E-04,-6.152222341,64.5437266,4.964902046,5.417545804,0,11.85,12.15015697,-0.207649742,0.092606667,6.162702019,9.713949394,14,26,20,14,2,6,0,0,0,12,13.118484,3.894295412,3.625591343,2.91630333,2.745347068,2.619181914,2.291532792,2.063944082,0.941428501,2.040858916,1.844468036,1.400830473,1.109138683,1.082250302,0.870218335,0.776101565,0.310513972,3.902975205,3.638657727,2.94056811,2.768302309,2.645815032,2.321937006,2.120823595,1.053336623,2.016354738,1.808384994,1.319742588,1.050527827,1.007167592,0.778603469,0.679787111,0.150156259,3.942750432,3.698524384,3.065422645,2.870650156,2.771820215,2.476784832,2.349867861,1.517793787,1.951061461,1.711009998,1.093618858,0.891421427,0.798620231,0.511395131,0.391757872,0.396843083,3.909447296,3.6484034,2.959433105,2.78529828,2.665925019,2.345483914,2.161629181,1.134811365,2.001414477,1.786245192,1.268677649,1.014540079,0.960278991,0.719986306,0.618432542,0.041902902,3.963277358,3.729334104,3.135779196,2.92165493,2.838078588,2.56272122,2.450468312,1.721464227,1.932393922,1.682949365,1.031088463,0.844491945,0.738564276,0.434423465,0.295054874,0.594311107,3.898301562,3.668410373,2.966884766,2.804543337,2.719411872,2.375354286,2.212850513,1.227894669,2.00818443,1.758511007,1.223971781,0.987275463,0.89263954,0.662347015,0.560742612,0.065332999,0,0,0,9,3,1,0,0,0,0,0,0,0.185395406,0.190371421,0,0,0,0.059852793,0.057704174,0.622008468,0,0.083333333,0,0.333333333,0,0.027777778,0,1.291973768,1.996030159,2.633525958,0.558012702,0.716506351,0.790978017,9.096011838,6.360173345,5.429947387,4.29345332,3.514753069,2.78210641,1.441171687,0.934031714,0.699693218,0.454298096,0.301663744,0.195156969,0.13017604,0.086940825,0.057646867,0.038917988,7.696152423,4.482050808,3.235505131,2.125195599,1.455228872,0.96079048,0.426988303,0.225854674,0.592011725,0.320146486,0.179750285,0.0965998,0.053897366,0.030024702,0.017079532,0.009410611,16.25096682,24.32702112,23.35294118,23.56,17.79132695,185.3683928,0.650038673,0.973080845,0.934117647,0.9424,0.711653078,7.414735713,3.38162,55.518,78.08938345,112.2911048,156.1787669,12.0137513,78.08938345,0.059040076,0.004541544,-3.678400445,88.54515906,6.811166081,5.828566502,153,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,9,0,0,0,0,0,0,0,0,1,0,0,0,0,9,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.8825,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.940820224,0,0,0,0,3.940820224,0,0,0,0,0,0,0,0,2.1175,0,0,0,0,18.99995087,0,0,0,0,3.882549131,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.283518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,0,0,0,0.422222222,0,0,0,0,0,0,0,0,2.1175,0,0,0,0,2.040969388,0,0,0,0,1.283518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.203703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.44609375,0,0,0,0,0.44609375,0,0,0,0,0,0,0,0,2.1175,0,0,0,0,2.203703704,0,0,0,0,1.30680839,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,25,1.923076923,0.44609375,2.203703704,0.1875,1.283518519,7.372255136,0.383148148,0.203703704,2.234901738,0.383148148,0.203703704,2.234901738,6.5,0.5,0,0,0.508,0.7,0.44054,0.44054,0.7,0.06746,0.06746,0,0,0.71429,0,0,0.07692,0.23077,0,19,1.46154,7,0.53846,12,0.92308,5,0.38462,0,0,6.48731,0.49902,16.39102,9.90371,0.76182,2.44669,0.18821,6.36015,3.91347,0.30104,0.05385,0.00414,0.22585,0.01737,0.48,40,0,0,0,0,0,0,0.076923077,0.998845536,2.091314689,2.722292189,3.67326969,3.94346519,3.94346519,24.9711384,52.28286722,68.05730473,91.83174224,98.58662974,98.58662974,0.215089679,0.450340106,0.586213715,0.790995573,0.849179007,0.849179007,3.645010654,2.552541501,1.921564001,0.9705865,0.700391,0.700391,0.199769107,0.418262938,0.544458438,0.734653938,0.788693038,0.788693038,6.399164975,15.22829348,22.80002349,27.27593841,26.6688742,27.5482482,44.36419974,40.25711399,30.5925608,23.28749611,23.48657411,22.42903164,9.551020408,4.481481481,2.479338843,0,12,0,2.89,1.4651,0,2.214567783,1.310370697,0,12.58450384,11.65071827,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0.003,0.215,0.208,0.995,1.536,6.784,18,22,27,32,25,24,20,16,10,221,3.044522438,3.610917913,4.158883083,4.711779921,5.247024072,5.210851341,5.557551738,5.768125664,5.931955026,5.88556135,7.563366888,8.711856618,0.428571429,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.071428571,2,0.142857143,0,4,7,0.75,2,1.111111111,0.5625,0.333333333,0.25,0.100408163,0.027777778,0,0,0,0.142857143,0.061728395,0.03515625,0.027777778,0.025,0.016734694,0.013888889,0,0,0,0.323143148,38.88848367,58.4361022,77.77696735,5.982843642,38.88848367,0.024303036,0.001869464,-4.832300171,78.8438344,6.064910338,5.677709851,0,171.0725892,4.700439718,4.17438727,4.976733742,5.80814249,6.629363253,7.466799475,8.294299609,9.132919225,9.962935011,10.80151248,94.24709255,3.36729583,0,4.615120517,0,6.079933195,0,7.634820678,0,9.231024963,9.461410326,168.0939004,6.723756015,26.45210158,2.034777045,0,0,0,246,16,4.31,64,1.240763537,2.199280986,3.048073622,3.883490871,4.749901073,5.685727673,6.54591224,7.718642598,8.599632212,0,111.6585697,158.2906921,161.5888369,168.1417101,208.2463286,189.586081,115.5729979,42.03432706,8.737776704,0,368.1488973,552.4233692,624.8012556,675.321541,840.5992689,861.2260901,696.2323618,497.811525,267.3087699,0,9.140521637,16.0274705,21.99170339,27.69337925,33.93398591,40.39385851,45.82778129,53.08798773,57.77631943,0,2.606707267,4.049083078,4.826132149,5.372592752,6.682378424,7.191690583,6.471432505,5.494006935,3.823507458,0,170.7370399,314.3943928,450.2144609,597.809748,726.2807997,884.0960348,1066.666335,1329.294506,1590.223797,0,3.63375123,5.766508113,7.227489081,8.320754568,10.52989546,11.91881366,11.54558654,10.80146815,8.599632212,0,0.533603336,0.834684455,1.0047006,1.125655939,1.399496828,1.518987426,1.392239054,1.214585798,0.880602339,0,274.4461308,176.2178348,14.24371411,170.0114098,-109.1618323,-8.998617399,104.434721,285.3796671,23.24233151,0.617485599,0.396478445,0.032047412,0.382514401,-0.245606886,-0.020246293,121.9796523,78.32134546,6.330726144,75.56285307,-48.51779953,-3.999503358,0.097532263,0.096128333,0.595501307,2.243144974,444.4575406,0,1,0,1097.143791,33.12316095,10.31385884,1215.299035,34.86113932,10.67155526,1990.963568,44.6202148,12.58020653,1.648685023,1.648685023,1200.676683,963.1125069,240.9798822,1.246662954,4.982476844,3.996651082,4.94148979,5.122724427,9.193357389,0.79462267,4.081952101,3.754542233,5.458369541,11.66251391,0.020127463,10.14994988,13.51264451,6.571446671,3.36648014,1.639875894,8.589292045,3.527143917,3.375047983,0.241562748,4.567386348,3.05E-04,0.68475679,8.25E-05,5.52E-29,7.12E-75,1.77E-142,8.50E-232,0,0,0,0,0,0,0,0,0.342771947,2.743543827,0.446595582,3.636303343,0.005858874,4.630220355,5.067835225,0.69147738,0.713731703,0.508705581,2.563143765,0.10965529,0.938249301,0.002119002,0.164798743,7.39E-06,0.004822798,5.81E-07,3.89E-31,5.01E-77,1.25E-144,5.98E-234,0,0,0,0,0,0,0,0,1.106018333,2.81110091,1.447732747,4.689229677,0.008771179,5.479555906,6.346669841,1.614291629,1.06299578,0.666521524,3.72284698,0.453498511,1.368523391,0.018793445,0.675973123,3.58E-05,0.050257274,6.05E-06,4.05E-30,5.22E-76,1.30E-143,6.24E-233,0,0,0,0,0,0,0,0,3.853042171,3.643543522,5.143814477,10.96406192,0.019253873,9.713915598,12.83825749,6.113339691,3.136080267,1.544773163,8.195483777,3.192786548,3.202121084,0.21551248,4.160782809,2.75E-04,0.610105972,7.35E-05,4.92E-29,6.34E-75,1.58E-142,7.57E-232,0,0,0,0,0,0,0,0,1.629963049,2.898692068,2.141476497,5.585846298,0.01077045,6.14495174,7.356658937,2.330144295,1.359828251,0.796556196,4.539838851,0.794568554,1.683824897,0.039801109,1.141931403,6.50E-05,0.109165515,1.31E-05,8.79E-30,1.13E-75,2.82E-143,1.35E-232,0,0,0,0,0,0,0,0,4.929502537,4.221276801,6.631811111,14.48370595,0.023362061,11.87579693,16.18831408,8.379040623,4.296756643,2.021352976,10.07564956,4.90720715,4.042282331,0.350949577,6.228500601,4.27E-04,0.998653423,1.20E-04,8.05E-29,1.04E-74,2.58E-142,1.24E-231,0,0,0,0,0,0,0,0,2.207622502,2.844297225,2.751000332,6.575326959,0.013312688,6.402186301,8.242502791,2.915436465,1.652398944,0.958300555,5.521165921,1.213472752,2.098889327,0.066764646,1.701504482,1.01E-04,0.185158236,2.23E-05,1.49E-29,1.92E-75,4.79E-143,2.30E-232,0,0,0,0,0,0,0,0,7.353149202,2.558056131,0.067158302,0.736909324,0.256360284,0.56515338,0.546105116,0.080503017,9.978363635,19.47538812,30.71698387,0.605363986,1.191761513,5.74653861,1.43561616,0.010155955,0.798983641,0.199604302,0.349443074,0.175573232,0.001840766,7.192310725,8.322765332,15.59886089,0.698475461,0.526857072,6.246321401,1.792793707,0.028055559,0.774288987,0.222233269,0.410725056,0.273692041,0.014048252,8.067170667,11.42390757,19.80525464,0.66143348,0.698465349,7.295823056,2.519185962,0.065149034,0.738431816,0.254974257,0.556511417,0.530440801,0.075757878,9.880158051,19.01897338,30.09654038,0.607647725,1.162710096,6.518327024,1.983936975,0.037729468,0.763270727,0.232311299,0.446266217,0.33421342,0.025407129,8.539993467,13.25273589,22.28064495,0.644906091,0.805886766,7.541282864,2.685093358,0.073741327,0.732155029,0.2606857,0.594014909,0.598534737,0.097059334,10.30011755,21.00315508,32.79646433,0.598232544,1.28960898,7.300175635,2.519536091,0.065004443,0.738531639,0.254892103,0.557207021,0.530766287,0.075422044,9.884716168,19.03138087,30.1117274,0.607797459,1.163395352 +UMLYSI0030,L,"2,6-dimethylnaphthalene",CC1=CC2=C(C=C1)C=C(C=C2)C,aromatic,C12H12,581-42-0,11387,PubChem,,774.5,0,2.8406,8.06900836,57.7168,29.121516,10,11,24,12,12,0,12,0,0,0,0,0,0,0,0,0,1743.36222,2020.718629,2820.778146,2697.68488,1822.110874,1144.13343,514.584338,230.115481,72.642528,5455.207754,6882.559119,9875.065793,10510.00964,8174.60742,5438.311904,3160.962854,1516.025278,688.4196982,171.10776,183.438292,304.157448,361.849408,396.429544,282.452568,196.94612,137.58634,42.705792,38.80215486,49.61823172,72.91167501,81.14504373,68.40913578,46.56672968,29.17850082,15.25013362,6.68126586,3740.544097,3485.797202,6148.010181,7298.466528,8820.302425,6348.474011,4489.135787,3449.459119,918.7352863,55.11111111,68.11111111,101.5555556,120.8888889,108.6666667,75.44444444,50.66666667,27,12,72.6400925,80.82874516,67.16138443,53.9536976,32.53769418,28.60333575,18.37801207,11.50577405,12.107088,227.3003231,275.3023648,235.1206141,210.2001928,145.9751325,135.9577976,112.8915305,75.80126388,114.7366164,7.12949,7.33753168,7.241844,7.23698816,7.079099,7.0613142,7.03379,6.879317,7.117632,1.616756452,1.984729269,1.735992262,1.622900875,1.22159171,1.164168242,1.042089315,0.762506681,1.11354431,155.8560041,139.4318881,146.3811948,145.9693306,157.5054004,158.7118503,160.3262781,172.4729559,153.1225477,2.296296296,2.724444444,2.417989418,2.417777778,1.94047619,1.886111111,1.80952381,1.35,2,0.054477796,-0.001813732,-0.001454244,-0.02813122,-0.005924736,0.005131525,-0.01325064,0.017881112,-0.006609278,726.396054,30.26650225,181.5990135,-423.7310315,-121.066009,-121.066009,-242.132018,242.132018,-181.5990135,1350.764481,56.28185336,337.6911202,-787.945947,-225.1274134,-225.1274134,-450.2548269,450.2548269,-337.6911202,0.142296,0.005929,0.035574,-0.083006,-0.023716,-0.023716,-0.047432,0.047432,-0.035574,6.038545709,0.251606071,1.509636427,-3.522484997,-1.006424285,-1.006424285,-2.01284857,2.01284857,-1.509636427,32.80147613,1.366728172,8.200369033,-19.13419441,-5.466912688,-5.466912688,-10.93382538,10.93382538,-8.200369033,5.037037037,-1.061728395,2.37037037,-3.012345679,-0.790123457,0.012345679,-2.617283951,2.283950617,-1.481481481,0.002269908,-7.25E-05,-3.46E-05,-5.63E-04,-1.06E-04,1.28E-04,-4.73E-04,8.94E-04,-0.001101546,30.26650225,1.21066009,4.323786036,-8.47462063,-2.161893018,-3.026650225,-8.647572071,12.1066009,-30.26650225,56.28185336,2.251274134,8.040264766,-15.75891894,-4.020132383,-5.628185336,-16.08052953,22.51274134,-56.28185336,0.005929,2.37E-04,8.47E-04,-0.00166012,-4.24E-04,-5.93E-04,-0.001694,0.0023716,-0.005929,0.251606071,0.010064243,0.035943724,-0.0704497,-0.017971862,-0.025160607,-0.071887449,0.100642428,-0.251606071,1.366728172,0.054669127,0.195246882,-0.382683888,-0.097623441,-0.136672817,-0.390493763,0.546691269,-1.366728172,0.209876543,-0.042469136,0.05643739,-0.060246914,-0.014109347,3.09E-04,-0.093474427,0.114197531,-0.24691358,-0.031961329,-0.015253856,-0.247862186,-0.046609312,0.056516881,-0.208482951,0.393873027,-0.485282324,0.04,0.142857143,-0.28,-0.071428571,-0.1,-0.285714286,0.4,-1,0.04,0.142857143,-0.28,-0.071428571,-0.1,-0.285714286,0.4,-1,0.04,0.142857143,-0.28,-0.071428571,-0.1,-0.285714286,0.4,-1,0.04,0.142857143,-0.28,-0.071428571,-0.1,-0.285714286,0.4,-1,0.04,0.142857143,-0.28,-0.071428571,-0.1,-0.285714286,0.4,-1,-0.202352941,0.268907563,-0.287058824,-0.067226891,0.001470588,-0.445378151,0.544117647,-1.176470588,0.96534938,0.901724437,1.272703716,1.083270883,0.989341095,1.203685222,0.532871795,0.960203001,0.92,0.821428571,1.226666667,1.026785714,1.054166667,1.232142857,0.575,1.916666667,0.92,0.821428571,1.226666667,1.026785714,1.054166667,1.232142857,0.575,1.916666667,0.92,0.821428571,1.226666667,1.026785714,1.054166667,1.232142857,0.575,1.916666667,0.92,0.821428571,1.226666667,1.026785714,1.054166667,1.232142857,0.575,1.916666667,0.92,0.821428571,1.226666667,1.026785714,1.054166667,1.232142857,0.575,1.916666667,1.197352941,0.603991597,1.288676471,1.023765756,0.938602941,1.485819328,0.304411765,2.283088235,45.65063517,22.82531758,33.24154911,45.65063517,3.804219597,22.82531758,1.07E-14,1.11E-16,9.25E-18,-44.08416068,99.50089631,8.291741359,5.520199983,45.65063517,22.82531758,33.24154911,45.65063517,3.804219597,22.82531758,1.07E-14,1.11E-16,9.25E-18,-44.08416068,99.50089631,8.291741359,5.520199983,45.65063517,22.82531758,33.24154911,45.65063517,3.804219597,22.82531758,1.07E-14,1.11E-16,9.25E-18,-44.08416068,99.50089631,8.291741359,5.520199983,45.65063517,22.82531758,33.24154911,45.65063517,3.804219597,22.82531758,1.07E-14,1.11E-16,9.25E-18,-44.08416068,99.50089631,8.291741359,5.520199983,45.65063517,22.82531758,33.24154911,45.65063517,3.804219597,22.82531758,1.07E-14,1.11E-16,9.25E-18,-44.08416068,99.50089631,8.291741359,5.520199983,45.65063517,22.82531758,33.24154911,45.65063517,3.804219597,22.82531758,1.07E-14,1.11E-16,9.25E-18,-44.08416068,99.50089631,8.291741359,5.520199983,49.8021053,24.5983794,36.00383496,49.75766085,4.146471738,24.5983794,-0.088888889,0.00418373,3.49E-04,-6.571862569,88.4127107,7.367725892,5.378418895,0,11.85,12.1501417,-0.206026258,0.094165172,6.114632813,9.338326696,13,25,20,14,2,5,0,0,0,11,13.118484,4.000301479,3.423905641,2.906439065,2.836947941,2.30743802,2.251627358,1.848007005,1.107257961,2.120373217,1.706933679,1.390095968,1.278465883,1.018459604,0.849952888,0.580260012,0.353200386,4.007357157,3.43937252,2.925849353,2.867490141,2.339863394,2.313185582,1.90263156,1.200619971,2.100055814,1.657446964,1.302931459,1.212874121,0.926325843,0.76257601,0.477590848,0.199331404,4.039717751,3.512861723,3.020391134,3.018403505,2.568865906,2.489560839,2.129896422,1.608220085,2.046492974,1.528707008,1.051182813,1.041201559,0.616473094,0.520798749,0.173134714,0.313930149,4.012618517,3.451044913,2.94061861,2.890962161,2.36415506,2.357835614,1.942139169,1.269874322,2.087734088,1.627476286,1.247393372,1.172808915,0.864476508,0.708130296,0.412351926,0.096169848,4.056464898,3.552263273,3.099480527,3.072352152,2.682841532,2.566600101,2.23448155,1.795144677,2.031283452,1.493339168,0.994937596,0.977898434,0.506706104,0.450572211,0.074126361,0.4927939,3.995834445,3.461365598,2.978145806,2.906845221,2.43393484,2.418064037,1.981011511,1.364568513,2.099559888,1.602366427,1.194364778,1.113146231,0.786633019,0.639651711,0.360802702,0.017047914,0,0,0,6,4,2,0,0,0,0,0,0,0.136082763,0.328532853,0,0,0,0.048112522,0.103668078,0.910683603,0,0.083333333,0,0.5,0,0.027777778,0,1.641138495,2.408503542,3.544448037,0.731125224,0.910683603,1.141500299,8.552041764,5.754020195,5.356607801,4.137416898,3.358548375,2.91238855,1.661518793,1.065754449,0.712670147,0.442616938,0.297589322,0.188064404,0.119948156,0.080899682,0.05538396,0.039472387,7.464101615,4.226067743,3.354059275,2.151246215,1.484579548,1.090740569,0.532804999,0.298189654,0.622008468,0.325082134,0.186336626,0.097783919,0.053020698,0.030298349,0.017760167,0.011044061,15.25096682,23.32702112,22.35294118,22.56,16.79132695,178.6256982,0.635456951,0.971959213,0.931372549,0.94,0.699638623,7.442737425,2.89584,51.228,85.51949316,102.9057736,171.0389863,14.25324886,85.51949316,0,0,0,88.04619703,7.337183086,5.373433972,130,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,6,0,0,0,0,0,0,0,0,2,0,0,0,0,6,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.41806122,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.509861111,0,0,0,0,2.509861111,0,0,0,0,0,0,0,0,4.248605442,0,0,0,0,13.09962963,0,0,0,0,2.650653817,2.667777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.325326909,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.415277778,0,0,0,0,0.415277778,0,0,0,0,0,0,0,0,2.124302721,0,0,0,0,2.154537037,0,0,0,0,1.325326909,1.333888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.217037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.424375,0,0,0,0,0.424375,0,0,0,0,0,0,0,0,2.124302721,0,0,0,0,2.217037037,0,0,0,0,1.325326909,1.333888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.66666667,1.888888889,0.424375,2.217037037,0.182397959,1.325326909,7.173355351,0.341339758,0.217037037,2.696470144,0.341339758,0.217037037,2.696470144,6,0.5,0,0,0.5,0.7,0.44118,0.44118,0.7,0.05882,0.05882,0,0,0.71429,0,0,0.16667,0.33333,0,16.5,1.375,6.5,0.54167,10,0.83333,3.5,0.29167,0,0,6.82309,0.56859,15.12551,8.30241,0.69187,2.46659,0.20555,5.75399,3.28741,0.27395,0.16001,0.01333,0.33201,0.02767,0.416666667,37,0,0,0,0,0,0,0.166666667,1,2.396240625,2.79248125,3.188721876,3.022055209,3.188721876,24,57.509775,67.01955001,76.52932501,72.52932501,76.52932501,0.218104292,0.522630365,0.609052146,0.695473927,0.659123212,0.695473927,3.584962501,2.188721876,1.79248125,1.396240625,1.562907292,1.396240625,0.202809424,0.485980181,0.566341514,0.646702847,0.612901277,0.646702847,6.503912516,17.76271253,22.51760004,22.91694126,20.91694126,22.91694126,42,34.7548875,27.509775,26.30225625,29.47218126,26.30225625,8.591715976,3.395061728,1.859504132,0,10,0,2.78,1.3672,0.142857143,3.681157266,2.746356192,0,5.999228805,12.58938076,0,2.525064636,0,0,0,0,0,0,0,0,0,0,0,0.003,0.189,0.172,0.871,1.408,6.322,18,22,28,36,30,27,22,19,4,231,2.970414466,3.650658241,4.259152537,4.887525597,5.517703869,5.694258095,5.961729948,6.207567748,6.450754248,5.041962354,7.817351779,10.74597538,0.428571429,2,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,3,0,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.153846154,0,4,7,0.75,3,1.333333333,0.625,0.826666667,0.111111111,0.120816327,0,0,0,0,0.230769231,0.074074074,0.0390625,0.082666667,0.018518519,0.060408163,0,0,0,0,0.505499153,31.89826802,47.10937057,63.79653604,5.316378004,31.89826802,9.44E-16,7.86E-17,-41.51608129,97.92057372,8.16004781,5.500988013,0,156.4130633,4.584962501,4.143134726,4.96284463,5.826000107,6.668228248,7.532088144,8.382289429,9.244451902,10.09810816,10.95875731,92.81590266,3.295836866,0,4.59511985,0,6.102558595,0,7.708410667,0,9.362803915,9.578795654,156.0939004,6.503912516,24.36053396,2.030044497,0,0,0,186,16,4.008,62,1.252780295,2.202790104,3.10517437,3.926432091,5.131394438,6.131544293,7.032940791,8.295440542,8.706031808,0,110.508287,159.7186071,177.7013191,142.5281858,155.5970835,116.9134357,86.28351625,100.4336286,8.845885503,0,366.5001367,548.5204397,678.0664593,621.4815348,720.3484655,711.1676918,544.4681765,951.7907791,270.6160677,0,9.221906217,16.00937233,22.51475738,27.92983782,36.27573721,43.1987786,48.39162009,59.04389306,58.49116129,0,2.603661965,4.001536972,5.182960134,5.11009673,6.104703124,6.526390107,5.41995331,9.237340614,3.870814092,0,172.8352187,318.5205301,450.41188,608.4164167,811.5883065,977.5476486,1212.52329,1270.21899,1609.89896,0,3.507119143,5.522795401,7.664323854,7.998501176,9.865215799,11.27764727,9.579630989,16.59088108,8.706031808,0,0.533325316,0.824468114,1.076487424,1.076578462,1.293457699,1.399476849,1.183134572,1.99090573,0.891497657,0,319.2654006,172.5902454,13.40581464,194.6042552,-105.2002381,-9.019822445,124.6611454,277.7904835,22.42563709,0.621296465,0.335863859,0.026087967,0.378703535,-0.204721639,-0.017552744,164.0608015,88.68889,6.888841358,100.0012217,-54.05921015,-4.635013056,0.115844834,0.107745325,1.840036554,1.192732705,513.8696558,0,1,0,977.8975263,31.27135313,9.925775523,1095.415833,33.09706683,10.30844136,1761.144608,41.96599347,12.07623825,1.626110541,1.626110541,1010.495684,837.5445956,179.6930866,1.206497767,5.623453317,4.660972836,4.635599359,4.716137875,8.942969504,0.896248528,3.836901901,4.605025808,4.359924829,15.29776994,0.232234908,7.006230882,8.500358516,7.568491083,6.645481528,4.431378447,6.875475196,2.543909174,6.372046401,0.605167561,0.326561487,2.702215852,1.443853606,6.45E-14,5.59E-49,9.35E-106,3.02E-184,1.88E-284,0,0,0,0,0,0,0,0,0.322137681,4.604903566,0.34121216,7.945159717,0.03479805,0.697468835,1.382162139,0.634257696,2.692297811,0.584329608,0.974082105,0.687361391,0.282132642,0.00426283,0.237979155,0.055972375,0.010169179,4.55E-16,3.94E-51,6.58E-108,2.13E-186,1.32E-286,0,0,0,0,0,0,0,0,1.03957599,4.604912062,1.117600181,8.850082069,0.075098013,1.542334895,2.831321313,2.024904232,3.213803586,1.094639314,2.030581648,0.838471493,1.077223047,0.044416421,0.256058213,0.29323451,0.105970686,4.74E-15,4.10E-50,6.86E-107,2.21E-185,1.38E-285,0,0,0,0,0,0,0,0,3.621730554,4.605012503,4.09836577,14.63683797,0.220147572,6.463334321,8.063237497,7.135216531,6.302497144,4.098594911,6.461803053,2.349646555,5.840741931,0.539193466,0.321137661,2.433061363,1.286447569,5.75E-14,4.98E-49,8.33E-106,2.69E-184,1.68E-284,0,0,0,0,0,0,0,0,1.532074898,4.604922781,1.663606057,9.648218578,0.102763003,2.253811209,3.827256841,2.986896682,3.656549037,1.526590753,2.799809597,1.009857484,1.756045434,0.096477711,0.268469657,0.546042603,0.23018249,1.03E-14,8.91E-50,1.49E-106,4.81E-185,3.00E-285,0,0,0,0,0,0,0,0,4.633584549,4.605081681,5.346000649,17.98426295,0.276989316,9.194229348,10.12035388,9.182664584,8.03004593,5.773968834,8.466605359,3.354698377,8.51917475,0.882579743,0.34664447,3.820438369,2.105724789,9.41E-14,8.15E-49,1.36E-105,4.40E-184,2.74E-284,0,0,0,0,0,0,0,0,2.15084959,4.235663406,2.107935246,10.94025757,0.136313192,2.922751204,4.820077634,4.10943187,4.354438618,2.141180591,3.843552235,1.195390241,2.525878622,0.169614933,0.311902081,0.892040058,0.404678692,1.81E-14,1.57E-49,2.62E-106,8.46E-185,5.27E-285,0,0,0,0,0,0,0,0,8.015243096,1.974668337,0.139363581,0.791294844,0.19494666,0.554757066,0.445932547,0.166671726,10.12927501,17.21967659,29.55472127,0.686942267,1.167361339,5.343715553,1.129539753,0.021581179,0.822763678,0.173913501,0.248208763,0.147963666,0.003996809,6.494836485,6.175639627,12.80073879,0.734145517,0.400169238,6.200502637,1.40237205,0.059415213,0.809223185,0.183022578,0.333145329,0.227033937,0.030294131,7.6622899,9.147138009,17.32606764,0.713834778,0.590473397,7.923883519,1.945984436,0.135342998,0.791975657,0.194497092,0.542244879,0.433261231,0.157193621,10.00521095,16.75557152,28.84773821,0.687963486,1.132699731,6.656726941,1.546833776,0.079533826,0.803652174,0.18674588,0.383523785,0.275535173,0.054283393,8.283094543,10.94931064,20.05135306,0.705478262,0.71334235,8.313152009,2.068130136,0.152471653,0.789191789,0.196333631,0.596556155,0.488460495,0.199499391,10.5337538,18.77553144,31.93068161,0.683787684,1.28451604,7.926134285,1.947336899,0.135140468,0.791931445,0.194566136,0.542569001,0.433911702,0.156723518,10.00861165,16.76915928,28.8636443,0.687897167,1.133204221 +UMLYSI0031,L,4-methylbiphenyl,CC1=CC=C(C=C1)C2=CC=CC=C2,aromatic,C13H12,644-08-6,12566,PubChem,,769.3,0,2.862,8.191044,63.7534,30.881516,12,12,25,13,12,0,13,0,0,0,0,0,0,0,0,0,1887.626341,2164.98275,2854.051218,2677.53496,1950.203651,1554.743745,1079.533734,608.387979,261.356425,5878.724656,7306.076021,10126.02441,10404.87139,8359.052727,6541.556865,4740.293844,3063.365801,1704.816405,178.648276,190.978808,305.354952,374.488,369.978572,304.27578,219.990552,162.57918,125.346916,41.59105486,52.40713172,74.91846922,80.69640673,68.30603985,53.59556687,39.22055651,26.62399777,16.36770203,3867.338453,3612.591558,6052.624868,7731.892041,8054.303625,6792.447287,4843.190664,3633.604648,2984.238502,60.33333333,74.11111111,107.3333333,122.1111111,109.7777778,86.66666667,63,44.66666667,29.66666667,75.50505364,83.26856731,67.95360043,51.49105692,37.50391637,36.15683128,34.82366884,26.45165126,14.51980139,235.1489862,281.0029239,241.0958193,200.0936805,160.751014,152.1292294,152.9127047,133.1898174,94.71202247,7.14593104,7.345338769,7.270356,7.201692308,7.114972538,7.07618093,7.096469419,7.06866,6.963717556,1.663642194,2.015658912,1.783773077,1.551853976,1.313577689,1.246408532,1.265179242,1.15756512,0.909316779,154.6935381,138.9458291,144.1101159,148.6902316,154.8904543,157.9638904,156.2319569,157.9828108,165.7910279,2.413333333,2.85042735,2.555555556,2.348290598,2.111111111,2.015503876,2.032258065,1.942028986,1.648148148,0.07147918,-0.002873044,-0.018237357,-0.014288623,-0.012637027,0.009356768,-0.003159723,-0.004028637,0.002290448,755.4518962,27.89360847,-34.28589375,-263.8270468,-176.6595203,104.988443,-84.45564788,-142.9547434,17.82091652,1404.79506,51.86935606,-63.75608349,-490.5976594,-328.5059217,195.2304929,-157.0488836,-265.8304498,33.13875526,0.14798784,0.005464166,-0.006716371,-0.051681907,-0.034606387,0.020566515,-0.016544282,-0.028003853,0.003490995,6.280087537,0.231880155,-0.285019357,-2.193199802,-1.468574316,0.87277114,-0.702081581,-1.188385796,0.148145655,34.11353518,1.259576683,-1.548229673,-11.91349613,-7.977318995,4.740906683,-3.813718291,-6.455330503,0.804729548,5.573333333,-0.658488889,0.023466667,-1.281422222,-1.281422222,0.7872,-0.324266667,-1.154133333,0.0272,0.002859167,-1.11E-04,-4.34E-04,-2.75E-04,-2.43E-04,2.18E-04,-1.02E-04,-1.75E-04,1.27E-04,30.21807585,1.072831095,-0.816330804,-5.073597054,-3.397298468,2.441591698,-2.724375738,-6.215423627,0.990050918,56.19180239,1.994975233,-1.518001988,-9.434570372,-6.317421571,4.540244022,-5.06609302,-11.55784564,1.841041959,0.005919514,2.10E-04,-1.60E-04,-9.94E-04,-6.66E-04,4.78E-04,-5.34E-04,-0.001217559,1.94E-04,0.251203501,0.008918468,-0.006786175,-0.042176919,-0.028241814,0.020297003,-0.022647793,-0.051668948,0.008230314,1.364541407,0.048445257,-0.036862611,-0.229105695,-0.153409981,0.110253644,-0.123023171,-0.280666544,0.044707197,0.222933333,-0.025326496,5.59E-04,-0.024642735,-0.024642735,0.018306977,-0.010460215,-0.05017971,0.001511111,-0.038648208,-0.151870369,-0.09610533,-0.084996688,0.076105813,-0.035649033,-0.06126194,0.044504963,0.035502959,-0.027014652,-0.167899408,-0.112426036,0.080799046,-0.090157155,-0.205685619,0.032763533,0.035502959,-0.027014652,-0.167899408,-0.112426036,0.080799046,-0.090157155,-0.205685619,0.032763533,0.035502959,-0.027014652,-0.167899408,-0.112426036,0.080799046,-0.090157155,-0.205685619,0.032763533,0.035502959,-0.027014652,-0.167899408,-0.112426036,0.080799046,-0.090157155,-0.205685619,0.032763533,0.035502959,-0.027014652,-0.167899408,-0.112426036,0.080799046,-0.090157155,-0.205685619,0.032763533,-0.113605693,0.002506266,-0.110538584,-0.110538584,0.082118616,-0.046920821,-0.225088413,0.006778309,0.953917856,1.024972076,1.04329581,1.048514012,0.964352658,1.127623104,1.070310722,0.823646417,0.887573964,0.961538462,1.109467456,1.072485207,0.894454383,1.054590571,1.170568562,0.961538462,0.887573964,0.961538462,1.109467456,1.072485207,0.894454383,1.054590571,1.170568562,0.961538462,0.887573964,0.961538462,1.109467456,1.072485207,0.894454383,1.054590571,1.170568562,0.961538462,0.887573964,0.961538462,1.109467456,1.072485207,0.894454383,1.054590571,1.170568562,0.961538462,0.887573964,0.961538462,1.109467456,1.072485207,0.894454383,1.054590571,1.170568562,0.961538462,1.058152374,0.877192982,1.035149061,1.094957674,0.906865472,1.003241241,1.216975244,1.01010101,59.11556975,29.55778487,45.5300928,59.11556975,4.547351519,29.55778487,-2.84E-14,0.033450595,0.002573123,-4.416991402,76.26556592,5.866581994,5.634487999,59.11556975,29.55778487,45.5300928,59.11556975,4.547351519,29.55778487,-2.84E-14,0.033450595,0.002573123,-4.416991402,76.26556592,5.866581994,5.634487999,59.11556975,29.55778487,45.5300928,59.11556975,4.547351519,29.55778487,-2.84E-14,0.033450595,0.002573123,-4.416991402,76.26556592,5.866581994,5.634487999,59.11556975,29.55778487,45.5300928,59.11556975,4.547351519,29.55778487,-2.84E-14,0.033450595,0.002573123,-4.416991402,76.26556592,5.866581994,5.634487999,59.11556975,29.55778487,45.5300928,59.11556975,4.547351519,29.55778487,-2.84E-14,0.033450595,0.002573123,-4.416991402,76.26556592,5.866581994,5.634487999,59.11556975,29.55778487,45.5300928,59.11556975,4.547351519,29.55778487,-2.84E-14,0.033450595,0.002573123,-4.416991402,76.26556592,5.866581994,5.634487999,65.74025211,32.59210988,50.90166697,65.71066631,5.054666639,32.59210988,-0.076923077,0.035019251,0.002693789,-4.357414548,67.94948644,5.226883572,5.484393957,0,11.85,12.15015697,-0.207649794,0.092606557,5.965441854,9.556768639,14,26,20,14,2,6,0,0,0,12,13.118484,3.892658725,3.629174555,2.945266524,2.619181914,2.619181914,2.471545438,1.961917283,0.941428501,2.040153011,1.847312193,1.389356407,1.082250302,1.082250302,0.993368646,0.655413395,0.310513972,3.901420428,3.642159244,2.966624034,2.645815032,2.645815032,2.506540637,2.011958383,1.053336623,2.015552461,1.811254083,1.311045862,1.007167592,1.007167592,0.920740229,0.554904072,0.150156259,3.94152394,3.701708933,3.076239889,2.771820215,2.771820215,2.666423905,2.221162367,1.517793787,1.949894217,1.714140865,1.101333662,0.798620231,0.798620231,0.698350469,0.261616847,0.396843083,3.907951145,3.651846817,2.983162246,2.665925019,2.665925019,2.532847644,2.048127058,1.134811365,2.000543348,1.789148895,1.262430211,0.960278991,0.960278991,0.874008483,0.491132485,0.041902902,3.962191645,3.732394279,3.139275468,2.838078588,2.838078588,2.743799524,2.319574976,1.721464227,1.931089189,1.68620702,1.045935096,0.738564276,0.738564276,0.625648332,0.169403613,0.594311107,3.898097131,3.669764511,2.974954836,2.719411872,2.719411872,2.562698191,2.072860444,1.227894669,2.005710837,1.763383205,1.231076464,0.89263954,0.89263954,0.836264872,0.447346363,0.065332999,0,0,0,9,3,1,0,0,0,0,0,0,0.185395406,0.190371421,0,0,0,0.059852793,0.057704174,0.622008468,0,0.083333333,0,0.333333333,0,0.027777778,0,1.351057332,1.849455925,2.382986517,0.577350269,0.644337567,0.699050209,9.096011838,6.360173345,5.418042006,4.377010098,3.362838912,2.78210641,1.509213069,0.934031714,0.699693218,0.454298096,0.301002334,0.198955004,0.129339958,0.086940825,0.058046656,0.038917988,7.696152423,4.482050808,3.232050808,2.158689248,1.376614233,0.96079048,0.451044564,0.225854674,0.592011725,0.320146486,0.179558378,0.098122239,0.052946701,0.030024702,0.017347868,0.009410611,16.25096682,24.32702112,23.35294118,23.56,17.79132695,185.3683928,0.650038673,0.973080845,0.934117647,0.9424,0.711653078,7.414735713,3.38162,55.518,77.20880129,110.1549779,154.4176026,11.87827712,77.20880129,0.065193789,0.005014907,-3.549508402,82.42142174,6.340109365,5.735398988,168,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,9,0,0,0,0,0,0,0,0,1,0,0,0,0,9,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.89407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.942091443,0,0,0,0,3.942091443,0,0,0,0,0,0,0,0,2.105925926,0,0,0,0,19.02520266,0,0,0,0,3.86887141,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.280092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,0,0,0,0.422222222,0,0,0,0,0,0,0,0,2.105925926,0,0,0,0,2.039375,0,0,0,0,1.280092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.157407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.44691358,0,0,0,0,0.44691358,0,0,0,0,0,0,0,0,2.105925926,0,0,0,0,2.157407407,0,0,0,0,1.305260299,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,25,1.923076923,0.44691358,2.157407407,0.1875,1.280092593,7.372069879,0.386574074,0.157407407,2.262257181,0.386574074,0.157407407,2.262257181,6.5,0.5,0,0,0.508,0.7,0.44054,0.44054,0.7,0.06746,0.06746,0,0,0.71429,0,0,0.07692,0.23077,0,19,1.46154,7,0.53846,12,0.92308,5,0.38462,0,0,6.42014,0.49386,16.30044,9.8803,0.76002,2.44669,0.18821,6.36015,3.91347,0.30104,0.05385,0.00414,0.22585,0.01737,0.48,40,0,0,0,0,0,0,0.076923077,0.998845536,2.091314689,2.642292189,3.62346519,3.97366069,3.73366069,24.9711384,52.28286722,66.05730473,90.58662974,99.34151724,93.34151724,0.215089679,0.450340106,0.568986653,0.780270758,0.855681254,0.804000067,3.645010654,2.552541501,2.001564001,1.020391,0.6701955,0.9101955,0.199769107,0.418262938,0.528458438,0.724693038,0.794732138,0.746732138,6.399164975,15.22829348,21.84002349,27.55765841,26.1518462,25.90996819,44.36419974,40.25711399,31.86161177,22.77347263,24.43668656,25.17422904,9.551020408,4.481481481,2.479338843,0,12,0,2.89,1.4651,0,2.090521377,1.10520945,0,12.78165687,11.70848086,0,1.310370697,0,0,0,0,0,0,0,0,0,0,0,0.003,0.215,0.208,0.995,1.536,6.784,18,22,26,32,26,24,20,16,12,223,3.044522438,3.610917913,4.158883083,4.691347882,5.247024072,5.238102817,5.557551738,5.768125664,5.931955026,6.018745271,7.59104939,8.876191143,0.5,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.071428571,2,0.142857143,0,4,8,1,2,1.333333333,0.4375,0.253333333,0.25,0.16,0.046875,0.020408163,0,0,0.142857143,0.074074074,0.02734375,0.023030303,0.027777778,0.026666667,0.015625,0.020408163,0,0,0.357782878,39.98890582,61.02714895,79.97781164,6.152139357,39.98890582,0.015255715,0.001173517,-5.437641394,97.90746311,7.531343316,5.959229612,0,171.0725892,4.700439718,4.17438727,4.976733742,5.802118375,6.624065228,7.455298486,8.283241441,9.116359309,9.946403354,10.78014309,94.15875029,3.36729583,0,4.615120517,0,6.079933195,0,7.630946581,0,9.221181395,9.452972776,168.0939004,6.723756015,26.4526294,2.034817646,0,0,0,252,16,4.31,64,1.240779044,2.199303727,3.048075129,3.883363158,4.722312327,5.678688906,6.790242987,7.52410599,8.762876983,9.712926552,111.6608069,158.2930641,161.5880681,157.0127666,186.5288926,213.0445333,189.0282976,117.6827712,47.90216717,9.868955004,368.1554651,552.4308771,624.7938817,653.9718919,761.0016361,915.0629496,928.9948722,750.2981278,566.5252538,301.9141266,9.140638574,16.02763907,21.99167564,27.68623963,33.50246645,40.41679975,48.04445707,52.53591473,60.2766376,65.25594737,2.606750516,4.04913498,4.82607162,5.274063455,6.138365353,7.478980607,8.00334524,7.113134242,6.248200765,4.318492489,170.7390062,314.3974572,450.2177731,597.6172564,739.8798786,878.5146648,1069.530954,1236.541922,1508.611932,1796.091572,3.633800701,5.760530776,7.275346471,8.393256757,9.821596279,11.92355073,13.36598343,12.7822152,12.27910085,9.712926552,0.533612059,0.834695029,1.004688114,1.107399603,1.290019145,1.574053449,1.699514628,1.535432006,1.381151008,0.994603679,261.5710987,167.9573514,13.45253199,157.3690519,-101.0482017,-8.310889654,104.2020468,269.0055531,21.76342164,0.624363882,0.400910133,0.032110868,0.375636118,-0.241199612,-0.019837892,109.5826355,70.36407808,5.635805778,65.92821431,-42.33314884,-3.481765364,0.097132784,0.096124678,1.196868303,1.735197118,418.9401506,0,1,0,1097.098031,33.12247018,10.31371545,1215.253275,34.860483,10.67142132,1983.814101,44.54002808,12.56513014,2.576328795,2.576328795,1281.584637,1111.905146,173.1203495,1.152602488,7.402853798,6.422729325,4.842144884,5.122818032,9.729050915,0.899159965,4.081952033,3.67012126,5.44059639,11.19053268,0.017106657,9.901000111,13.50508827,8.387349612,2.870718245,2.68388989,10.671612,3.096895161,2.7651095,0.85076231,3.452066224,3.48947744,2.060479333,0.057142192,9.97E-04,1.64E-26,7.11E-71,6.23E-137,1.06E-224,0,0,0,0,0,0,0,0.342771879,2.744679149,0.445123916,3.510319478,0.002856782,4.652366496,6.017364108,1.265248336,0.688920538,1.259262154,1.826856653,0.300094862,0.232135965,0.785735477,0.167923786,0.114987265,0.014519983,0.002017712,7.02E-06,1.16E-28,5.01E-73,4.39E-139,7.47E-227,0,0,0,0,0,0,0,1.106018265,2.806519199,1.442948104,4.486648641,0.005765267,5.446365592,7.106931,2.484729353,0.910294086,1.488594902,3.431093359,0.667573271,0.749025232,0.790372423,0.595687573,0.488153821,0.151247716,0.008343816,7.32E-05,1.20E-27,5.22E-72,4.57E-138,7.78E-226,0,0,0,0,0,0,0,3.853042103,3.568515884,5.127044422,10.5111498,0.016234213,9.481562123,12.89144908,7.868455036,2.657914199,2.574931223,10.0589764,2.853717983,2.609991509,0.843726136,3.16518964,3.171231008,1.835855401,0.052024863,8.88E-04,1.46E-26,6.34E-71,5.55E-137,9.44E-225,0,0,0,0,0,0,0,1.629962981,2.886697915,2.134413293,5.332456837,0.007761916,6.073774685,7.985184375,3.391430894,1.128763755,1.664274621,4.592082041,0.980231771,1.103896454,0.796119873,0.961366876,0.838040665,0.328510912,0.014149112,1.59E-04,2.62E-27,1.13E-71,9.93E-138,1.69E-225,0,0,0,0,0,0,0,4.929502469,4.097358122,6.610318121,13.94351909,0.020337013,11.56539853,15.95338824,10.40269195,3.748602319,3.112003447,13.02072954,4.078974915,3.339499696,0.880283135,4.611687499,4.794585191,3.004989826,0.078068003,0.00145407,2.39E-26,1.04E-70,9.09E-137,1.55E-224,0,0,0,0,0,0,0,2.207622461,2.822540209,2.741152716,6.253045454,0.010022986,6.546815151,8.967530244,4.156411958,1.363599008,1.786212478,5.663126852,1.360208731,1.407233019,0.867534693,1.39242514,1.261153999,0.557181253,0.021132375,2.70E-04,4.44E-27,1.92E-71,1.68E-137,2.87E-225,0,0,0,0,0,0,0,8.700692799,1.963141467,0.067274747,0.810791577,0.18293929,0.549486801,0.529789841,0.080750543,10.73110901,17.79809757,29.67830573,0.716187365,1.160027186,6.656169167,1.01956334,0.010243753,0.866014797,0.132652419,0.321594909,0.142959517,0.001871504,7.68597626,6.865014372,14.62050869,0.799022195,0.46642593,7.298169942,1.315868494,0.028152493,0.844481452,0.152260984,0.3866194,0.238094466,0.014137421,8.642190929,9.845938548,18.75849003,0.766722178,0.638851286,8.628624184,1.929882451,0.065264488,0.812199744,0.181657006,0.540421862,0.511997946,0.075995992,10.62377112,17.34132592,29.05189633,0.718299616,1.1284158,7.645146286,1.476004766,0.037831281,0.834715693,0.161153796,0.424253387,0.299549162,0.025531031,9.158982333,11.62933718,21.21521799,0.75207354,0.749333579,8.936813876,2.072108492,0.073861007,0.806369084,0.186966435,0.579714826,0.5902089,0.097338787,11.08278337,19.33117802,31.78172305,0.709553626,1.267262513,8.632209791,1.929772543,0.065119603,0.812282581,0.181589727,0.540871136,0.511940511,0.075658594,10.62710194,17.34599353,29.05787093,0.718423872,1.12847024 +UMLYSI0032,L,"2,3-dimethylnaphthalene",CC1=CC2=CC=CC=C2C=C1C,aromatic,C12H12,581-40-8,11386,PubChem,,748.4,0,2.8406,8.06900836,57.7168,29.121516,10,11,24,12,12,0,12,0,0,0,0,0,0,0,0,0,1743.36222,2020.718629,2820.778146,2818.750889,1888.657018,1153.278006,514.584338,109.049472,6.096384,5455.207754,6882.559119,9875.065793,10735.13705,8676.524651,5718.065604,3160.962854,1290.897864,186.5024666,171.10776,183.438292,304.157448,361.873124,398.824552,342.918744,196.94612,137.562624,40.310784,38.80215486,49.61823172,72.91167501,82.15146801,72.42272421,50.56824582,29.17850082,14.24370934,2.667677429,3740.544097,3485.797202,6148.010181,7303.933441,8629.531799,8012.732879,4489.135787,3443.992206,1109.505912,55.11111111,68.22222222,100.8888889,119.8888889,114.6666667,84.33333333,51.33333333,28,6,72.6400925,80.82874516,67.16138443,56.37501778,33.72601818,23.53628584,18.37801207,5.4524736,1.016064,227.3003231,275.3023648,235.1206141,214.7027411,154.9379402,116.6952164,112.8915305,64.54489321,31.08374443,7.12949,7.33753168,7.241844,7.23746248,7.121867,6.998341714,7.03379,6.8781312,6.718464,1.616756452,1.984729269,1.735992262,1.64302936,1.293262932,1.032005017,1.042089315,0.712185467,0.444612905,155.8560041,139.4318881,146.3811948,146.0786688,154.0987821,163.5251608,160.3262781,172.1996103,184.917652,2.296296296,2.728888889,2.402116402,2.397777778,2.047619048,1.721088435,1.833333333,1.4,1,0.054513586,-0.002197301,-0.003241141,-0.016525255,-0.022477162,0.013106476,-0.011828608,0.005616081,0.010290118,726.396054,30.26650225,181.5990135,-302.6650225,-484.264036,151.3325113,-242.132018,121.066009,181.5990135,1350.764481,56.28185336,337.6911202,-562.8185336,-900.5096538,281.4092668,-450.2548269,225.1274134,337.6911202,0.142296,0.005929,0.035574,-0.05929,-0.094864,0.029645,-0.047432,0.023716,0.035574,6.038545709,0.251606071,1.509636427,-2.516060712,-4.025697139,1.258030356,-2.01284857,1.006424285,1.509636427,32.80147613,1.366728172,8.200369033,-13.66728172,-21.86765075,6.833640861,-10.93382538,5.466912688,8.200369033,5.037037037,-0.950617284,1.703703704,-1.12345679,-3.456790123,1.679012346,-1.950617284,0.395061728,1.185185185,0.002271399,-8.79E-05,-7.72E-05,-3.31E-04,-4.01E-04,2.67E-04,-4.22E-04,2.81E-04,0.00171502,30.26650225,1.21066009,4.323786036,-6.05330045,-8.647572071,3.088418597,-8.647572071,6.05330045,30.26650225,56.28185336,2.251274134,8.040264766,-11.25637067,-16.08052953,5.743046261,-16.08052953,11.25637067,56.28185336,0.005929,2.37E-04,8.47E-04,-0.0011858,-0.001694,6.05E-04,-0.001694,0.0011858,0.005929,0.251606071,0.010064243,0.035943724,-0.050321214,-0.071887449,0.025674089,-0.071887449,0.050321214,0.251606071,1.366728172,0.054669127,0.195246882,-0.273345634,-0.390493763,0.139462058,-0.390493763,0.273345634,1.366728172,0.209876543,-0.038024691,0.040564374,-0.022469136,-0.061728395,0.034265558,-0.069664903,0.019753086,0.197530864,-0.038695111,-0.03397466,-0.145507261,-0.176709515,0.117759605,-0.185986795,0.123626009,0.755049805,0.04,0.142857143,-0.2,-0.285714286,0.102040816,-0.285714286,0.2,1,0.04,0.142857143,-0.2,-0.285714286,0.102040816,-0.285714286,0.2,1,0.04,0.142857143,-0.2,-0.285714286,0.102040816,-0.285714286,0.2,1,0.04,0.142857143,-0.2,-0.285714286,0.102040816,-0.285714286,0.2,1,0.04,0.142857143,-0.2,-0.285714286,0.102040816,-0.285714286,0.2,1,-0.181176471,0.193277311,-0.107058824,-0.294117647,0.163265306,-0.331932773,0.094117647,0.941176471,0.972810782,0.912348477,1.143227438,1.149001068,0.800128732,1.209744979,0.865602534,0.244074123,0.92,0.821428571,1.15,1.232142857,0.860544218,1.232142857,0.766666667,0,0.92,0.821428571,1.15,1.232142857,0.860544218,1.232142857,0.766666667,0,0.92,0.821428571,1.15,1.232142857,0.860544218,1.232142857,0.766666667,0,0.92,0.821428571,1.15,1.232142857,0.860544218,1.232142857,0.766666667,0,0.92,0.821428571,1.15,1.232142857,0.860544218,1.232142857,0.766666667,0,1.177058824,0.676470588,1.045147059,1.268382353,0.776560624,1.37710084,0.913235294,0,44.42383542,22.21191771,31.75733312,44.42383542,3.701986285,22.21191771,3.55E-15,0.100850637,0.00840422,-2.752937644,69.30537282,5.775447735,5.08622692,44.42383542,22.21191771,31.75733312,44.42383542,3.701986285,22.21191771,3.55E-15,0.100850637,0.00840422,-2.752937644,69.30537282,5.775447735,5.08622692,44.42383542,22.21191771,31.75733312,44.42383542,3.701986285,22.21191771,3.55E-15,0.100850637,0.00840422,-2.752937644,69.30537282,5.775447735,5.08622692,44.42383542,22.21191771,31.75733312,44.42383542,3.701986285,22.21191771,3.55E-15,0.100850637,0.00840422,-2.752937644,69.30537282,5.775447735,5.08622692,44.42383542,22.21191771,31.75733312,44.42383542,3.701986285,22.21191771,3.55E-15,0.100850637,0.00840422,-2.752937644,69.30537282,5.775447735,5.08622692,44.42383542,22.21191771,31.75733312,44.42383542,3.701986285,22.21191771,3.55E-15,0.100850637,0.00840422,-2.752937644,69.30537282,5.775447735,5.08622692,48.3559726,23.86977228,34.01249869,48.31152816,4.02596068,23.86977228,-0.088888889,0.153350433,0.012779203,-2.25003548,68.93012851,5.744177376,5.079712033,0,11.89,12.11019763,-0.153257817,0.067067938,6.405098638,9.338330606,13,25,20,14,2,5,0,0,0,11,13.118484,4.002292679,3.418792381,2.941300815,2.709639992,2.566990974,2.053964311,1.875015857,1.013554518,2.12112341,1.697632398,1.421271991,1.199132508,1.144786202,0.764451537,0.581429045,0.238507029,4.009230019,3.434129391,2.963514315,2.735963863,2.61173546,2.102134023,1.93120704,1.102280473,2.100916706,1.649271495,1.334468431,1.120919734,1.073483496,0.661320052,0.482415145,0.070689745,4.041129295,3.506912616,3.07813774,2.867286311,2.803973325,2.312941448,2.156307709,1.480406236,2.047823848,1.522577125,1.104826808,0.896166969,0.84011623,0.355033616,0.197434591,0.449913621,4.014407411,3.445700801,2.980699183,2.756232023,2.644704209,2.137524525,1.97141101,1.167695195,2.088678854,1.619882748,1.280609875,1.071081209,1.026680032,0.595216091,0.420786799,0.043249647,4.057686353,3.545840188,3.145597221,2.938939084,2.890314511,2.41567817,2.255079859,1.645665489,2.032802857,1.487596696,1.046185001,0.83177932,0.756745706,0.259555834,0.102499878,0.61148561,3.995852844,3.458994355,3.011434952,2.779765281,2.708171181,2.209820742,1.999836193,1.226978381,2.10401898,1.591650692,1.217347108,1.013619274,0.960317839,0.508032837,0.385479623,0.159456286,0,0,0,6,4,2,0,0,0,0,0,0,0.138888889,0.307529661,0,0,0,0.048611111,0.097797943,0.804737854,0,0.25,0,0.455341801,0,0.111111111,0,1.976460252,2.521209558,3.835803623,0.971687836,1.006178663,1.315188542,8.552041764,5.770856948,5.23058865,4.38697001,3.324758897,2.860337583,1.650096313,0.952700834,0.712670147,0.443912073,0.290588258,0.190737827,0.118741389,0.079453822,0.05500321,0.038108033,7.464101615,4.232050808,3.283617654,2.362036694,1.46796632,1.07132587,0.528507762,0.254540565,0.622008468,0.32554237,0.182423203,0.102697248,0.052427369,0.029759052,0.017616925,0.010181623,15.25096682,23.32702112,22.35294118,22.56,16.79132695,178.6256982,0.635456951,0.971959213,0.931372549,0.94,0.699638623,7.442737425,2.89584,51.228,85.83570828,105.5000513,171.6714166,14.30595138,85.83570828,1.11E-16,9.25E-18,-44.08416068,124.7847043,10.39872536,5.791907864,126,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,6,0,0,0,0,0,0,0,0,2,0,0,0,0,6,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.35759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.555212585,0,0,0,0,2.555212585,0,0,0,0,0,0,0,0,4.309074074,0,0,0,0,12.95148148,0,0,0,0,2.738333333,2.667777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.333888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0,0.406597222,0,0,0,0,0,0,0,0,2.154537037,0,0,0,0,2.080462963,0,0,0,0,1.369166667,1.333888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.240740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.437953515,0,0,0,0,0.437953515,0,0,0,0,0,0,0,0,2.154537037,0,0,0,0,2.240740741,0,0,0,0,1.369166667,1.333888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.66666667,1.888888889,0.437953515,2.240740741,0.159722222,1.333888889,7.172717407,0.332777778,0.240740741,2.521111111,0.332777778,0.240740741,2.521111111,6,0.5,0,0,0.5,0.7,0.44118,0.44118,0.7,0.05882,0.05882,0,0,0.71429,0,0,0.16667,0.33333,0,16.5,1.375,6.5,0.54167,10,0.83333,3.5,0.29167,0,0,6.99411,0.58284,15.24295,8.24883,0.6874,2.46751,0.20563,5.77083,3.30333,0.27528,0.14317,0.01193,0.31517,0.02626,0.416666667,37,0,0,0,0,0,0,0.166666667,1,2.396240625,2.79248125,3.188721876,3.022055209,3.188721876,24,57.509775,67.01955001,76.52932501,72.52932501,76.52932501,0.218104292,0.522630365,0.609052146,0.695473927,0.659123212,0.695473927,3.584962501,2.188721876,1.79248125,1.396240625,1.562907292,1.396240625,0.202809424,0.485980181,0.566341514,0.646702847,0.612901277,0.646702847,6.503912516,17.76271253,22.51760004,22.91694126,20.91694126,22.91694126,42,34.7548875,27.509775,26.30225625,29.47218126,26.30225625,8.591715976,3.395061728,1.701323251,0,10,0,2.78,1.3672,0.333333333,3.06523773,3.614408014,0,6.678722918,11.00922806,0,3.301927249,0,0,0,0,0,0,0,0,0,0,0,0.003,0.189,0.172,0.871,1.408,6.322,18,23,28,36,30,25,22,18,4,229,2.970414466,3.650658241,4.280132327,4.887525597,5.517703869,5.694258095,5.921829729,6.207567748,6.423399144,5.041962354,7.804882304,10.70544487,0.333333333,2,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,3,0,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.153846154,0,4,6,0.5,2.5,1.555555556,0.625,0.826666667,0.166666667,0.08,0,0,0,0,0.192307692,0.086419753,0.036764706,0.082666667,0.027777778,0.04,0,0,0,0,0.465936596,31.09701742,45.09701742,62.19403484,5.182836237,31.09701742,0,0,0,69.18552681,5.765460568,5.084150029,0,156.4130633,4.584962501,4.143134726,4.976733742,5.837730447,6.693323668,7.556427969,8.417372856,9.280519207,10.14285872,11.00587604,93.05397737,3.295836866,0,4.59511985,0,6.115892125,0,7.736743682,0,9.404837505,9.617470759,156.0939004,6.503912516,24.35409413,2.029507844,0,0,0,182,17,4.008,62,1.252780295,2.202784807,3.10425193,3.938438697,4.803571354,6.104206177,7.013291782,7.879798757,0,0,110.508287,159.7180246,184.5592082,146.0382706,127.3517531,116.6010732,38.04607182,8.006379844,0,0,366.5001367,548.5186208,691.208604,649.2984486,605.8803775,708.9533749,451.2110832,244.9336507,0,0,9.221906217,16.00933297,22.51252722,28.14307791,33.73791558,43.00979115,48.23136913,52.94014428,0,0,2.603661965,4.001524501,5.243379017,5.336113488,5.247674397,6.504225778,4.983080887,3.503460215,0,0,172.8352187,318.5198221,450.3375909,600.0653172,776.5441605,972.9075304,1208.241447,1457.113885,0,0,3.512975065,5.478779102,7.609602245,8.34242612,8.644019299,11.39777403,9.801142437,7.879798757,0,0,0.533325316,0.824465578,1.087665631,1.123235891,1.116995,1.394643612,1.101769329,0.806891393,0,0,291.6128403,157.5034262,13.19689792,197.3402879,-106.5857438,-9.667909779,94.27255237,264.0891699,22.8648077,0.596402443,0.322123772,0.026990108,0.403597557,-0.217987651,-0.019772672,142.5850105,77.01179293,6.45266452,96.49015109,-52.11543283,-4.72715473,0.115961774,0.113247831,1.84189399,1.980189308,488.9531282,0,1,0,977.8975263,31.27135313,9.925775523,1095.415833,33.09706683,10.30844136,1777.473889,42.1600983,12.11344699,1.495866381,1.495866381,936.0910151,723.0174257,219.8156428,1.29470049,4.258527752,3.289199152,4.618644172,4.705040575,8.06700649,0.714545573,3.836901901,4.605025808,6.287965764,14.91323172,0.326225212,7.422330194,9.092853707,7.924843804,8.641048851,3.300966497,7.873098674,1.603623159,6.089599751,1.869612998,2.261176881,7.21E-09,1.57E-38,6.59E-90,5.34E-163,8.34E-258,0,0,0,0,0,0,0,0,0,0,0.322137681,4.604903566,0.354787956,7.90018326,0.056082593,0.746505182,1.429423721,0.592074067,2.182334196,0.513079795,1.516597553,0.494003739,0.28978818,0.146048653,0.015925654,5.08E-11,1.11E-40,4.64E-92,3.76E-165,5.87E-260,0,0,0,0,0,0,0,0,0,0,1.03957599,4.604912062,1.259098879,8.728902763,0.103079469,1.801845367,2.990010633,1.936213609,3.092604805,0.867270229,2.604653915,0.593685509,1.081272501,0.47861553,0.16595759,5.29E-10,1.15E-39,4.84E-91,3.92E-164,6.12E-259,0,0,0,0,0,0,0,0,0,0,3.621730554,4.605012503,5.816213274,14.27064965,0.306805846,6.904914958,8.622401258,7.421939657,8.10128198,3.05427782,7.40986493,1.490830033,5.595728089,1.757287841,2.014667892,6.42E-09,1.40E-38,5.87E-90,4.76E-163,7.43E-258,0,0,0,0,0,0,0,0,0,0,1.532074898,4.604922781,1.970968466,9.476774501,0.137759767,2.617558341,4.062398042,2.904243785,3.838647632,1.174212192,3.413757875,0.69976798,1.741107677,0.712627796,0.360482062,1.15E-09,2.50E-39,1.05E-90,8.51E-164,1.33E-258,0,0,0,0,0,0,0,0,0,0,4.633584549,4.605081681,8.157877834,17.53455128,0.401398028,9.46153614,10.83620655,9.848181313,10.80348277,4.300654375,9.672372098,2.072183927,8.075794086,2.293234492,3.297713972,1.05E-08,2.29E-38,9.61E-90,7.79E-163,1.22E-257,0,0,0,0,0,0,0,0,0,0,2.150850923,4.236791851,2.719258699,10.37529713,0.169723911,3.389665104,5.028876094,3.983733044,4.835114048,1.624805977,4.393505582,0.901898309,2.606877332,1.00844489,0.633755458,2.02E-09,4.40E-39,1.85E-90,1.50E-163,2.34E-258,0,0,0,0,0,0,0,0,0,0,6.439339737,2.462785885,0.13936389,0.712198994,0.272387186,0.587960048,0.572185099,0.166670818,9.041489513,17.09934987,28.3509716,0.568298491,1.326815965,4.731338131,1.386537665,0.021581358,0.770644377,0.225840433,0.317414171,0.181361017,0.003996838,6.139457153,6.692210589,12.9732453,0.655966565,0.502772026,5.279981604,1.732250208,0.059415433,0.746640976,0.244957101,0.395298863,0.283075984,0.030294067,7.071647245,9.562884023,17.17795963,0.619961465,0.708668914,6.381035877,2.426047461,0.135343302,0.713568714,0.271296322,0.577360822,0.55524131,0.157192776,8.94242664,16.67267563,27.71031078,0.570353071,1.289794908,5.57172823,1.916086043,0.079534068,0.736285417,0.253204419,0.440191634,0.346347675,0.0542832,7.567348342,11.27144703,19.68789398,0.604428126,0.840822509,6.629424414,2.582561996,0.152471977,0.707934633,0.275783381,0.623185628,0.62919445,0.199498257,9.364458387,18.52546932,30.50038511,0.56190195,1.451878335,6.389424305,2.426901625,0.135140773,0.713785184,0.271117763,0.578880283,0.555632465,0.156722676,8.951466702,16.69794932,27.74497699,0.570677776,1.291235425 +UMLYSI0033,L,"1,2-dimethylnaphthalene",CC1=C(C2=CC=CC=C2C=C1)C,aromatic,C12H12,573-98-8,11317,PubChem,,743.1,0,2.8406,8.06900836,57.7168,29.121516,10,11,24,12,12,0,12,0,0,0,0,0,0,0,0,0,1743.36222,2020.718629,2820.778146,2939.816898,2065.178147,1082.672477,341.111401,58.588992,3.048192,5455.207754,6882.559119,9875.065793,10960.26447,9319.916424,6014.052145,2610.822314,769.7839098,93.25123329,171.10776,183.438292,304.157448,361.89684,400.844108,384.802484,215.081956,95.655168,20.155392,38.80215486,49.61823172,72.91167501,83.1578923,76.77380552,54.90522459,26.16125822,8.900306288,1.333838715,3740.544097,3485.797202,6148.010181,7309.400354,8476.02319,8989.591461,5197.397352,2461.666711,554.7529561,55.11111111,68.33333333,100.2222222,118.7777778,121,95.33333333,48.66666667,18,3,72.6400925,80.82874516,67.16138443,58.79633796,36.8781812,19.68495413,11.00359358,4.184928,1.016064,227.3003231,275.3023648,235.1206141,219.2052894,166.427079,109.3464026,84.22007464,54.98456499,31.08374443,7.12949,7.33753168,7.241844,7.2379368,7.1579305,6.9964088,6.938127613,6.832512,6.718464,1.616756452,1.984729269,1.735992262,1.663157846,1.370960813,0.998276811,0.843911556,0.635736163,0.444612905,155.8560041,139.4318881,146.3811948,146.1880071,151.357557,163.4471175,167.6579791,175.8333365,184.917652,2.296296296,2.733333333,2.386243386,2.375555556,2.160714286,1.733333333,1.569892473,1.285714286,1,0.054709761,-0.002775078,-0.007771324,-8.67E-04,-0.027168715,-0.008147518,0.002440099,0.011789443,0.005145059,726.396054,30.26650225,181.5990135,-181.5990135,-665.8630495,-30.26650225,30.26650225,181.5990135,90.79950675,1350.764481,56.28185336,337.6911202,-337.6911202,-1238.200774,-56.28185336,56.28185336,337.6911202,168.8455601,0.142296,0.005929,0.035574,-0.035574,-0.130438,-0.005929,0.005929,0.035574,0.017787,6.038545709,0.251606071,1.509636427,-1.509636427,-5.535333567,-0.251606071,0.251606071,1.509636427,0.754818214,32.80147613,1.366728172,8.200369033,-8.200369033,-30.06801979,-1.366728172,1.366728172,8.200369033,4.100184516,5.037037037,-0.839506173,1.037037037,0.172839506,-3.864197531,-0.320987654,-0.283950617,0.987654321,0.592592593,0.002279573,-1.11E-04,-1.85E-04,-1.73E-05,-4.85E-04,-1.48E-04,7.87E-05,8.42E-04,0.00171502,30.26650225,1.21066009,4.323786036,-3.63198027,-11.8904116,-0.550300041,0.976338782,12.97135811,30.26650225,56.28185336,2.251274134,8.040264766,-6.753822403,-22.11072811,-1.023306425,1.815543657,24.1207943,56.28185336,0.005929,2.37E-04,8.47E-04,-7.11E-04,-0.00232925,-1.08E-04,1.91E-04,0.002541,0.005929,0.251606071,0.010064243,0.035943724,-0.030192729,-0.098845242,-0.004574656,0.008116325,0.107831173,0.251606071,1.366728172,0.054669127,0.195246882,-0.164007381,-0.536928925,-0.024849603,0.044088006,0.585740645,1.366728172,0.209876543,-0.033580247,0.024691358,0.00345679,-0.069003527,-0.005836139,-0.009159697,0.070546737,0.197530864,-0.048694691,-0.081169364,-0.007605351,-0.212827377,-0.064984392,0.034529655,0.369412586,0.752342429,0.04,0.142857143,-0.12,-0.392857143,-0.018181818,0.032258065,0.428571429,1,0.04,0.142857143,-0.12,-0.392857143,-0.018181818,0.032258065,0.428571429,1,0.04,0.142857143,-0.12,-0.392857143,-0.018181818,0.032258065,0.428571429,1,0.04,0.142857143,-0.12,-0.392857143,-0.018181818,0.032258065,0.428571429,1,0.04,0.142857143,-0.12,-0.392857143,-0.018181818,0.032258065,0.428571429,1,-0.16,0.117647059,0.016470588,-0.328781513,-0.027807487,-0.043643264,0.336134454,0.941176471,0.985330949,0.949617139,0.974168521,1.15980397,1.005535988,1.046369706,0.668130076,0.24319893,0.92,0.821428571,1.073333333,1.334821429,0.975757576,0.927419355,0.547619048,0,0.92,0.821428571,1.073333333,1.334821429,0.975757576,0.927419355,0.547619048,0,0.92,0.821428571,1.073333333,1.334821429,0.975757576,0.927419355,0.547619048,0,0.92,0.821428571,1.073333333,1.334821429,0.975757576,0.927419355,0.547619048,0,0.92,0.821428571,1.073333333,1.334821429,0.975757576,0.927419355,0.547619048,0,1.156764706,0.74894958,0.867573529,1.313681723,1.028542781,1.063804554,0.652310924,0,43.40306447,21.70153224,30.50433654,43.40306447,3.616922039,21.70153224,1.42E-14,0.083565648,0.006963804,-2.978547309,91.10485374,7.592071145,5.414413299,43.40306447,21.70153224,30.50433654,43.40306447,3.616922039,21.70153224,1.42E-14,0.083565648,0.006963804,-2.978547309,91.10485374,7.592071145,5.414413299,43.40306447,21.70153224,30.50433654,43.40306447,3.616922039,21.70153224,1.42E-14,0.083565648,0.006963804,-2.978547309,91.10485374,7.592071145,5.414413299,43.40306447,21.70153224,30.50433654,43.40306447,3.616922039,21.70153224,1.42E-14,0.083565648,0.006963804,-2.978547309,91.10485374,7.592071145,5.414413299,43.40306447,21.70153224,30.50433654,43.40306447,3.616922039,21.70153224,1.42E-14,0.083565648,0.006963804,-2.978547309,91.10485374,7.592071145,5.414413299,43.40306447,21.70153224,30.50433654,43.40306447,3.616922039,21.70153224,1.42E-14,0.083565648,0.006963804,-2.978547309,91.10485374,7.592071145,5.414413299,49.39885905,24.09264408,34.29191579,49.3544146,4.112867884,24.09264408,-0.088888889,0.150173707,0.012514476,-2.27515513,74.80447373,6.233706144,5.177853231,0,11.85,12.1501417,-0.205896037,0.094292327,6.410349448,9.808884459,13,25,20,14,2,5,0,0,0,11,13.118484,4.008034643,3.389427354,2.987291946,2.713159744,2.479300636,2.237182767,1.716799759,1.045115407,2.123554628,1.67577063,1.424661775,1.305610177,1.040109928,0.78700601,0.500125399,0.270955968,4.014688122,3.405391064,3.008488047,2.747834845,2.518201613,2.279632588,1.775597735,1.139812049,2.103703371,1.626494176,1.343522268,1.223145005,0.961340126,0.708691696,0.390978227,0.125712632,4.045439705,3.480709749,3.114447099,2.921214089,2.689077485,2.450706141,2.01977424,1.549383956,2.051924807,1.49683539,1.138364617,0.958316073,0.72275079,0.482596628,0.066106736,0.3732785,4.019661843,3.41741282,3.024745,2.774716965,2.546951697,2.30996767,1.818108835,1.209873337,2.091717206,1.596509713,1.294487463,1.168227511,0.910644656,0.659597089,0.32156515,0.027280371,4.061497569,3.520736327,3.174562323,3.012096139,2.770865999,2.527757179,2.131765096,1.73447774,2.037388605,1.460786785,1.085482001,0.874869168,0.646070947,0.409375124,0.040050908,0.551438378,3.996258666,3.442122809,3.052628059,2.814375112,2.608402414,2.346577345,1.848072393,1.294519803,2.112797539,1.559434033,1.235530804,1.095011656,0.842730601,0.619464323,0.273902831,0.070637436,0,0,0,6,4,2,0,0,0,0,0,0,0.138888889,0.296716619,0,0,0,0.048611111,0.095649324,0.73090178,0,0.282691565,0,0.424839684,0,0.132309437,0,2.067282172,3.007723589,4.23125009,1.050934661,1.250596388,1.49252117,8.552041764,5.7876937,5.122142226,4.533585248,3.448796287,2.764112538,1.596970933,0.95093683,0.712670147,0.445207208,0.284563457,0.188899385,0.11892401,0.078974644,0.055067963,0.038037473,7.464101615,4.238033872,3.228596484,2.469194893,1.536048595,1.029659203,0.508006821,0.253798648,0.622008468,0.326002606,0.179366471,0.102883121,0.052967193,0.029418834,0.017517477,0.010151946,15.25096682,23.32702112,22.35294118,22.56,16.79132695,178.6256982,0.635456951,0.971959213,0.931372549,0.94,0.699638623,7.442737425,2.89584,51.228,86.16182629,105.7542396,172.3236526,14.36030438,86.16182629,0.014022392,0.001168533,-5.12051978,142.6835431,11.89029526,5.952755031,117,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,6,0,0,0,0,0,0,0,0,2,0,0,0,0,6,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.33388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.559411848,0,0,0,0,2.559411848,0,0,0,0,0,0,0,0,4.332777778,0,0,0,0,12.86175926,0,0,0,0,2.765555556,2.706574074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.333888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0,0.406597222,0,0,0,0,0,0,0,0,2.154537037,0,0,0,0,2.080462963,0,0,0,0,1.369166667,1.333888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.178240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.437953515,0,0,0,0,0.437953515,0,0,0,0,0,0,0,0,2.178240741,0,0,0,0,2.178240741,0,0,0,0,1.396388889,1.372685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.66666667,1.888888889,0.437953515,2.178240741,0.159722222,1.333888889,7.17453287,0.332777778,0.178240741,2.389074074,0.332777778,0.178240741,2.389074074,6,0.5,0,0,0.5,0.7,0.44118,0.44118,0.7,0.05882,0.05882,0,0,0.71429,0,0,0.16667,0.33333,0,16.5,1.375,6.5,0.54167,10,0.83333,3.5,0.29167,0,0,7.07087,0.58924,15.33976,8.26889,0.68907,2.46842,0.2057,5.78767,3.31925,0.2766,0.12633,0.01053,0.29833,0.02486,0.416666667,37,0,0,0,0,0,0,0.166666667,1,2.396240625,2.927694271,3.573934896,4.022055209,4.188721876,24,57.509775,70.26466251,85.77443751,96.52932501,100.529325,0.218104292,0.522630365,0.638542686,0.77949054,0.877227504,0.913578219,3.584962501,2.188721876,1.65726823,1.011027604,0.562907292,0.396240625,0.202809424,0.485980181,0.593763989,0.724827678,0.815710701,0.849512271,6.503912516,17.76271253,24.14015629,27.88524149,28.33686835,29.42085377,42,34.7548875,25.65112813,19.96090261,18.65902292,17.15112813,8.591715976,3.395061728,1.5625,0,10,0,2.78,1.3672,0.333333333,3.122769989,3.941539889,0,6.631975708,10.56290511,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0.003,0.189,0.172,0.871,1.408,6.322,18,24,29,35,29,25,21,18,5,229,2.970414466,3.650658241,4.310799125,4.912654886,5.497168225,5.668371163,5.921829729,6.172548359,6.423399144,5.263812858,7.810706655,10.76800457,0.5,2,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,3,0,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.153846154,0,3,6,1,2,1.777777778,0.875,0.706666667,0.145833333,0.04,0,0,0,0,0.153846154,0.098765432,0.048611111,0.064242424,0.029166667,0.04,0,0,0,0,0.434631788,30.37353848,43.30376328,60.74707697,5.062256414,30.37353848,0.011977525,9.98E-04,-5.309667952,89.55263749,7.462719791,5.393791897,0,156.4130633,4.584962501,4.143134726,4.990432587,5.855071922,6.720220155,7.589335823,8.458079927,9.328034515,10.19761133,11.06768469,93.34960568,3.295836866,0,4.59511985,0,6.12905021,0,7.767687277,0,9.455401959,9.663515696,156.0939004,6.503912516,24.35276814,2.029397345,0,0,0,178,18,4.008,62,1.252780295,2.202925555,3.114303449,3.971733825,4.695663566,5.93519085,6.912872473,7.889182889,0,0,110.508287,160.2680272,192.3645854,158.8454154,102.864268,68.27529674,29.14969935,8.015914723,0,0,366.5001367,549.8158501,707.60437,693.8770591,552.5184759,512.1309933,381.7592983,245.2253447,0,0,9.221906217,16.01208924,22.59158655,28.49392975,32.97871254,41.22221967,47.2401957,53.00319123,0,0,2.603661965,4.008632015,5.327179066,5.638196882,4.954256081,5.095220451,4.408021346,3.507632521,0,0,172.8352187,318.4321423,451.7346616,596.6579681,757.8853174,991.7564696,1214.883248,1458.849176,0,0,3.516129803,5.440140916,7.570310276,8.79438821,8.494846402,9.438870012,8.907799045,7.889182889,0,0,0.533325316,0.825837358,1.103640021,1.184041432,1.059761971,1.108478757,0.982380038,0.807852328,0,0,286.3035487,154.4108117,13.1118929,199.85618,-107.7875392,-9.840425561,86.44736867,262.1983508,22.95231846,0.588908401,0.317613333,0.026970339,0.411091599,-0.221712192,-0.020241137,139.1892556,75.06831831,6.374474296,97.16202626,-52.40196081,-4.784018621,0.115644671,0.113412659,1.793366195,5.460579695,486.1597287,0,1,0,977.8975263,31.27135313,9.925775523,1095.415833,33.09706683,10.30844136,1791.023295,42.32048317,12.14414875,1.367350592,1.349047092,871.7575464,619.4199749,259.0796428,1.407377194,3.364824565,2.390847727,4.571541157,4.376012217,7.951876987,0.817151459,3.836901901,5.57729749,5.272314878,13.85067673,2.608292014,4.240786788,7.705523083,9.114566798,8.366281696,2.572130454,10.03945245,0.853513367,3.771009161,1.050278667,1.587169311,1.75E-13,3.73E-48,1.54E-104,1.22E-182,1.87E-282,0,0,0,0,0,0,0,0,0,0,0.322137681,4.611751355,0.417450614,8.851661625,0.691372809,0.58187842,1.354168715,0.56984102,3.428458537,0.196499876,0.724282729,0.316292682,0.137737889,0.077387072,0.011178563,1.23E-15,2.63E-50,1.08E-106,8.60E-185,1.32E-284,0,0,0,0,0,0,0,0,0,0,1.03957599,4.676271303,1.363928084,9.5676869,0.844876022,1.236843032,2.638672485,1.94141971,4.319540663,0.542193418,2.073582713,0.368313132,0.562409454,0.256902033,0.116489248,1.28E-14,2.74E-49,1.13E-105,8.96E-184,1.37E-283,0,0,0,0,0,0,0,0,0,0,3.621730554,5.471289067,4.959359586,13.43696094,2.4068206,3.984281069,7.312472659,8.459657636,8.022660108,2.377443459,9.273860984,0.800234777,3.436454166,0.983971561,1.414139282,1.56E-13,3.33E-48,1.37E-104,1.09E-182,1.67E-282,0,0,0,0,0,0,0,0,0,0,1.532074898,4.759924587,2.026869303,10.14959261,1.020853225,1.713741705,3.523990196,2.993592793,4.965930699,0.820839479,3.163772118,0.42113738,0.948044134,0.385796581,0.253030212,2.79E-14,5.95E-49,2.45E-105,1.95E-183,2.98E-283,0,0,0,0,0,0,0,0,0,0,4.633584549,6.023048552,6.448923568,15.50474223,3.449760773,5.227424636,9.165609125,11.68905779,9.685486691,3.348891389,13.09586813,1.073931687,5.137029478,1.303445179,2.314737276,2.55E-13,5.45E-48,2.24E-104,1.78E-182,2.73E-282,0,0,0,0,0,0,0,0,0,0,2.1508623,4.439054069,2.707087137,10.33995611,1.330468731,2.064978119,4.429194819,4.177515633,6.049901159,1.191546912,4.518745263,0.529546152,1.46224281,0.549526693,0.444846762,4.91E-14,1.05E-48,4.31E-105,3.42E-183,5.24E-283,0,0,0,0,0,0,0,0,0,0,5.557797787,2.760051722,0.139363972,0.657166548,0.326354742,0.525684056,0.520532537,0.166671591,8.457213481,16.4990179,27.09404814,0.485749822,1.212888184,4.021933131,1.660520772,0.021581417,0.705103125,0.29111334,0.274470557,0.186725095,0.003996876,5.70403532,6.801138916,12.64930581,0.557654688,0.465192528,4.514584426,2.014410579,0.0594155,0.685231198,0.305750617,0.346092606,0.275804407,0.030294246,6.588410505,9.482150129,16.61089865,0.527846798,0.652191259,5.505275031,2.722613435,0.135343384,0.658271244,0.325545612,0.515731457,0.50640289,0.15719351,8.363231849,16.10232603,26.49418409,0.487406866,1.179327857,4.776849015,2.202302407,0.079534139,0.676733504,0.311998939,0.387664108,0.330185952,0.054283492,7.058685562,11.07514688,18.97053684,0.515100256,0.772133552,5.729073267,2.882070956,0.152472061,0.653733925,0.328867771,0.558812074,0.567933464,0.199499165,8.763616284,17.82455458,29.10572789,0.480600887,1.326244703,5.512239256,2.724577834,0.135140855,0.658416979,0.325440937,0.517013565,0.507094677,0.156723411,8.371957944,16.13165539,26.53322962,0.487625468,1.180831652 +UMLYSI0034,L,"1,3-dimethylnaphthalene",CC1=CC2=CC=CC=C2C(=C1)C,aromatic,C12H12,575-41-7,11327,PubChem,,743.1,0,2.8406,8.06900836,57.7168,29.121516,10,11,24,12,12,0,12,0,0,0,0,0,0,0,0,0,1743.36222,2020.718629,2820.778146,2818.750889,2119.698012,1140.074045,350.255977,58.588992,3.048192,5455.207754,6882.559119,9875.065793,10735.13705,9043.126606,6236.215676,2890.576014,769.7839098,93.25123329,171.10776,183.438292,304.157448,361.873124,398.472816,326.731316,275.548132,95.655168,20.155392,38.80215486,49.61823172,72.91167501,82.15146801,73.76664137,54.91729687,30.16277437,8.900306288,1.333838715,3740.544097,3485.797202,6148.010181,7303.933441,8672.260728,7134.561967,6861.65622,2461.666711,554.7529561,55.11111111,68.22222222,101,119.1111111,114,92.33333333,57.66666667,18,3,72.6400925,80.82874516,67.16138443,56.37501778,37.85175021,24.78421837,8.756399425,4.184928,1.016064,227.3003231,275.3023648,235.1206141,214.7027411,161.4844037,135.569906,72.26440034,54.98456499,31.08374443,7.12949,7.33753168,7.241844,7.23746248,7.115586,7.102854696,6.8887033,6.832512,6.718464,1.616756452,1.984729269,1.735992262,1.64302936,1.317261453,1.19385428,0.754069359,0.635736163,0.444612905,155.8560041,139.4318881,146.3811948,146.0786688,154.8617987,155.0991732,171.5414055,175.8333365,184.917652,2.296296296,2.728888889,2.404761905,2.382222222,2.035714286,2.007246377,1.441666667,1.285714286,1,0.054699933,-0.002367332,-0.006382224,-0.01434614,0.001032751,-0.031635063,0.009415922,0.011788565,0.005143554,726.396054,30.26650225,181.5990135,-302.6650225,-181.5990135,-665.8630495,302.6650225,181.5990135,90.79950675,1350.764481,56.28185336,337.6911202,-562.8185336,-337.6911202,-1238.200774,562.8185336,337.6911202,168.8455601,0.142296,0.005929,0.035574,-0.05929,-0.035574,-0.130438,0.05929,0.035574,0.017787,6.038545709,0.251606071,1.509636427,-2.516060712,-1.509636427,-5.535333567,2.516060712,1.509636427,0.754818214,32.80147613,1.366728172,8.200369033,-13.66728172,-8.200369033,-30.06801979,13.66728172,8.200369033,4.100184516,5.037037037,-0.950617284,1.814814815,-2.382716049,0.691358025,-4.765432099,1.49382716,0.987654321,0.592592593,0.002279164,-9.47E-05,-1.52E-04,-2.87E-04,1.84E-05,-6.88E-04,2.35E-04,8.42E-04,0.001714518,30.26650225,1.21066009,4.323786036,-6.05330045,-3.242839527,-14.47528368,7.566625563,12.97135811,30.26650225,56.28185336,2.251274134,8.040264766,-11.25637067,-6.030198574,-26.91740813,14.07046334,24.1207943,56.28185336,0.005929,2.37E-04,8.47E-04,-0.0011858,-6.35E-04,-0.002835609,0.00148225,0.002541,0.005929,0.251606071,0.010064243,0.035943724,-0.050321214,-0.026957793,-0.120333338,0.062901518,0.107831173,0.251606071,1.366728172,0.054669127,0.195246882,-0.273345634,-0.146435161,-0.653652604,0.341682043,0.585740645,1.366728172,0.209876543,-0.038024691,0.043209877,-0.047654321,0.012345679,-0.10359635,0.037345679,0.070546737,0.197530864,-0.041547377,-0.066672567,-0.125889497,0.008091553,-0.301741688,0.103282629,0.369451437,0.752257503,0.04,0.142857143,-0.2,-0.107142857,-0.47826087,0.25,0.428571429,1,0.04,0.142857143,-0.2,-0.107142857,-0.47826087,0.25,0.428571429,1,0.04,0.142857143,-0.2,-0.107142857,-0.47826087,0.25,0.428571429,1,0.04,0.142857143,-0.2,-0.107142857,-0.47826087,0.25,0.428571429,1,0.04,0.142857143,-0.2,-0.107142857,-0.47826087,0.25,0.428571429,1,-0.181176471,0.205882353,-0.227058824,0.058823529,-0.493606138,0.177941176,0.336134454,0.941176471,0.977700287,0.941822074,1.107469694,0.98047964,1.286171301,0.811531994,0.668955635,0.243360894,0.92,0.821428571,1.15,1.061011905,1.416666667,0.71875,0.547619048,0,0.92,0.821428571,1.15,1.061011905,1.416666667,0.71875,0.547619048,0,0.92,0.821428571,1.15,1.061011905,1.416666667,0.71875,0.547619048,0,0.92,0.821428571,1.15,1.061011905,1.416666667,0.71875,0.547619048,0,0.92,0.821428571,1.15,1.061011905,1.416666667,0.71875,0.547619048,0,1.177058824,0.664390756,1.171985294,0.851628151,1.527573529,0.824448529,0.652310924,0,43.70303526,21.85151763,30.41321097,43.70303526,3.641919605,21.85151763,3.55E-15,0.090244376,0.007520365,-2.886280801,75.46190839,6.288492366,5.188353605,43.70303526,21.85151763,30.41321097,43.70303526,3.641919605,21.85151763,3.55E-15,0.090244376,0.007520365,-2.886280801,75.46190839,6.288492366,5.188353605,43.70303526,21.85151763,30.41321097,43.70303526,3.641919605,21.85151763,3.55E-15,0.090244376,0.007520365,-2.886280801,75.46190839,6.288492366,5.188353605,43.70303526,21.85151763,30.41321097,43.70303526,3.641919605,21.85151763,3.55E-15,0.090244376,0.007520365,-2.886280801,75.46190839,6.288492366,5.188353605,43.70303526,21.85151763,30.41321097,43.70303526,3.641919605,21.85151763,3.55E-15,0.090244376,0.007520365,-2.886280801,75.46190839,6.288492366,5.188353605,43.70303526,21.85151763,30.41321097,43.70303526,3.641919605,21.85151763,3.55E-15,0.090244376,0.007520365,-2.886280801,75.46190839,6.288492366,5.188353605,47.69051552,23.54467666,32.88185379,47.63125627,3.969271355,23.54467666,-0.088888889,0.122738739,0.010228228,-2.517236712,67.1026283,5.591885692,5.047467856,0,11.89,12.11019763,-0.150823254,0.069395571,6.253163033,9.651700869,13,25,20,14,2,5,0,0,0,11,13.118484,4.007004199,3.379854848,3.041466311,2.675543656,2.47082572,2.131319314,1.88873857,0.985555096,2.123209889,1.66724571,1.493865006,1.181405251,1.062341,0.809691572,0.623388662,0.243298822,4.013725745,3.396069104,3.064364031,2.70388215,2.507085264,2.189448574,1.940785519,1.078069903,2.103299895,1.618169369,1.415925332,1.100205027,0.978947814,0.72147991,0.519806699,0.078495518,4.044737474,3.472190581,3.179388541,2.842026497,2.679542578,2.416114648,2.164734567,1.479131417,2.051267167,1.4884157,1.205170628,0.871650447,0.715995728,0.456059477,0.208518119,0.444759721,4.018747443,3.408259733,3.081986389,2.725580932,2.534523605,2.230764585,1.978870503,1.146570821,2.091269044,1.588256107,1.367506664,1.04912845,0.923918011,0.665590774,0.453348465,0.031446657,4.060899958,3.512423077,3.243834136,2.915179183,2.768964274,2.511264979,2.271066953,1.662092716,2.03662632,1.452111639,1.147997145,0.80526165,0.634023252,0.363114834,0.108742847,0.619778783,3.996250344,3.438993014,3.094817865,2.760680074,2.584637873,2.293499199,2.029707433,1.216208845,2.110419069,1.544416274,1.322144134,0.987397344,0.852312597,0.607559885,0.388753549,0.134646267,0,0,0,6,4,2,0,0,0,0,0,0,0.138888889,0.296716619,0,0,0,0.048611111,0.095649324,0.827126825,0,0.164266427,0,0.466506351,0,0.065722928,0,1.72130082,3.004882897,4.000853184,0.812731396,1.222320022,1.368806207,8.552041764,5.770856948,5.262251437,4.178045384,3.700641387,2.740212001,1.671123947,0.892575149,0.712670147,0.443912073,0.292347302,0.181654147,0.123354713,0.078291771,0.055704132,0.037190631,7.464101615,4.232050808,3.302955221,2.212980433,1.688194187,1.023002619,0.54347096,0.232632923,0.622008468,0.32554237,0.183497512,0.096216541,0.05627314,0.029228646,0.018115699,0.009693038,15.25096682,23.32702112,22.35294118,22.56,16.79132695,178.6256982,0.635456951,0.971959213,0.931372549,0.94,0.699638623,7.442737425,2.89584,51.228,85.99886222,104.7368065,171.9977244,14.3331437,85.99886222,0.012200042,0.00101667,-5.287579021,161.6856974,13.47380811,6.102785173,117,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,6,0,0,0,0,0,0,0,0,2,0,0,0,0,6,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.3662963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.535106293,0,0,0,0,2.535106293,0,0,0,0,0,0,0,0,4.30037037,0,0,0,0,12.95435185,0,0,0,0,2.70537037,2.706574074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.339074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.394444444,0,0,0,0,0.394444444,0,0,0,0,0,0,0,0,2.138333333,0,0,0,0,2.084537037,0,0,0,0,1.339074074,1.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.224537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.436111111,0,0,0,0,0.436111111,0,0,0,0,0,0,0,0,2.162037037,0,0,0,0,2.224537037,0,0,0,0,1.366296296,1.363981481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.66666667,1.888888889,0.436111111,2.224537037,0.171875,1.339074074,7.176181019,0.327592593,0.224537037,2.509444444,0.327592593,0.224537037,2.509444444,6,0.5,0,0,0.5,0.7,0.44118,0.44118,0.7,0.05882,0.05882,0,0,0.71429,0,0,0.16667,0.33333,0,16.5,1.375,6.5,0.54167,10,0.83333,3.5,0.29167,0,0,6.99717,0.5831,15.29127,8.29409,0.69117,2.46751,0.20563,5.77083,3.30333,0.27528,0.14317,0.01193,0.31517,0.02626,0.416666667,37,0,0,0,0,0,0,0.166666667,1,2.396240625,3.04248125,3.688721876,4.022055209,4.105388542,24,57.509775,73.01955001,88.52932501,96.52932501,98.52932501,0.218104292,0.522630365,0.663578219,0.804526073,0.877227504,0.895402861,3.584962501,2.188721876,1.54248125,0.896240625,0.562907292,0.479573959,0.202809424,0.485980181,0.61704387,0.748107559,0.815710701,0.832611486,6.503912516,17.76271253,25.51760004,28.00092668,28.33686835,29.33686835,42,34.7548875,23.63233125,19.62443646,18.65902292,17.36654167,8.591715976,3.395061728,1.701323251,0,10,0,2.78,1.3672,0.25,3.341092813,3.561583341,0,6.332486322,11.19100813,0,3.532775529,0,0,0,0,0,0,0,0,0,0,0,0.003,0.189,0.172,0.871,1.408,6.322,18,23,30,35,30,24,21,18,6,230,2.970414466,3.650658241,4.290459441,4.92906364,5.497168225,5.685703361,5.901266279,6.172548359,6.423399144,5.38836693,7.820327387,10.82487262,0.5,2,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,3,0,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.153846154,0,3,6,1,2.5,1.333333333,1,0.706666667,0.145833333,0.04,0,0,0,0,0.192307692,0.074074074,0.058823529,0.058888889,0.029166667,0.04,0,0,0,0,0.453260851,30.56630745,43.16122143,61.1326149,5.094384575,30.56630745,0.003167258,2.64E-04,-6.905866892,78.25953096,6.52162758,5.232036748,0,156.4130633,4.584962501,4.143134726,4.976733742,5.84932478,6.70073111,7.577121931,8.433159196,9.309552022,10.16712024,11.04309782,93.19997557,3.295836866,0,4.59511985,0,6.115892125,0,7.743703258,0,9.423595191,9.633710884,156.0939004,6.503912516,24.35195108,2.029329257,0,0,0,179,17,4.008,62,1.252780295,2.202902183,3.111897349,3.954868765,4.999836555,5.880580111,6.947335243,7.889182889,0,0,110.508287,160.0915398,185.4722361,166.1376583,130.5417864,54.39033265,29.18471572,8.015914723,0,0,366.5001367,549.4014731,694.0027994,686.7961555,700.956151,438.0382146,382.8305302,245.2253447,0,0,9.221906217,16.01135906,22.56956987,28.25514422,35.58249733,40.55859705,47.47173257,53.00319123,0,0,2.603661965,4.006372245,5.26229356,5.507093961,6.12306076,4.528849933,4.423343938,3.507632521,0,0,172.8352187,318.4636669,451.3448248,604.193639,770.2307229,1004.951737,1221.256022,1458.849176,0,0,3.511171361,5.488398114,7.564995284,8.39971923,10.24696391,8.611763687,8.942261815,7.889182889,0,0,0.533325316,0.825401761,1.091502693,1.154905309,1.301346382,0.992404209,0.985909025,0.807852328,0,0,309.9741403,167.3192486,13.25502878,192.1198118,-103.7033041,-9.107467987,117.8543286,271.0225527,22.36249677,0.617362824,0.333242908,0.026399499,0.382637176,-0.206541632,-0.018138972,155.6361412,84.00998278,6.655269788,96.46219557,-52.06880181,-4.572804595,0.116017111,0.113316026,1.842772944,1.981381723,502.0939521,0,1,0,977.8975263,31.27135313,9.925775523,1095.415833,33.09706683,10.30844136,1778.714799,42.17481238,12.11626526,1.276085055,1.276085055,896.1505455,597.7441218,305.1486575,1.499221009,2.936767125,1.95886204,4.691678282,4.407498116,7.951876987,0.804170252,3.836901901,4.605026116,5.301083181,16.04887384,0.959238689,7.18100896,8.985542625,6.41739203,10.67511051,2.69931529,8.583097175,3.09570481,4.667408332,1.050277715,1.587169311,1.75E-13,3.73E-48,1.54E-104,1.22E-182,1.87E-282,0,0,0,0,0,0,0,0,0,0,0.322137681,4.604903568,0.398756945,8.403998957,0.894665276,0.615530782,1.427122887,0.674481215,3.234738103,0.236602277,0.65222983,0.332173847,0.144051302,0.077387065,0.011178563,1.23E-15,2.63E-50,1.08E-106,8.60E-185,1.32E-284,0,0,0,0,0,0,0,0,0,0,1.03957599,4.604912085,1.317491268,9.362680337,0.90784596,1.427626037,2.964942453,1.845989846,4.600793681,0.652230745,1.80792945,0.533106542,0.628200081,0.256901963,0.116489248,1.28E-14,2.74E-49,1.13E-105,8.96E-184,1.37E-283,0,0,0,0,0,0,0,0,0,0,3.621730554,4.605012778,4.971980402,15.36796297,0.955285506,6.592265375,8.521047429,6.065552685,10.16560204,2.517749489,7.933724676,2.798048424,4.235129689,0.983970712,1.414139282,1.56E-13,3.33E-48,1.37E-104,1.09E-182,1.67E-282,0,0,0,0,0,0,0,0,0,0,1.532074898,4.60492283,1.972501769,10.19947209,0.916894125,2.141895563,4.022096445,2.65041408,5.583882769,0.963397692,2.738802646,0.778871117,1.090950168,0.385796429,0.253030212,2.79E-14,5.95E-49,2.45E-105,1.95E-183,2.98E-283,0,0,0,0,0,0,0,0,0,0,4.633584549,4.60508213,6.552513933,18.81170897,0.973875595,9.57296986,10.70737369,7.720392764,12.62292013,3.406543123,11.17347117,4.343666146,6.444343424,1.30344379,2.314737276,2.55E-13,5.45E-48,2.24E-104,1.78E-182,2.73E-282,0,0,0,0,0,0,0,0,0,0,2.150857146,4.185956806,2.566032977,11.14696795,1.029711652,2.842916762,4.776825359,3.287040182,7.046704048,1.369622644,3.885277837,1.158305724,1.713482716,0.549526426,0.444846762,4.91E-14,1.05E-48,4.31E-105,3.42E-183,5.24E-283,0,0,0,0,0,0,0,0,0,0,5.346777355,3.326564737,0.139364847,0.606712261,0.377473659,0.50222286,0.50003075,0.166670935,8.812706938,18.99515999,30.28666598,0.476278881,1.168924544,3.858002068,1.943187679,0.021581954,0.662571412,0.333722114,0.26721144,0.175678379,0.003997009,5.822771701,7.622023096,13.60659087,0.494440288,0.446886828,4.332464418,2.391317369,0.059416146,0.638705292,0.352535396,0.333969626,0.263916839,0.03029441,6.783197933,10.75979862,18.15856549,0.486861032,0.628180875,5.295408243,3.27989095,0.135344247,0.60792389,0.376538309,0.49283984,0.486658617,0.157192924,8.71064344,18.52897898,29.59033024,0.476693298,1.136691382,4.586252766,2.628126261,0.079534843,0.628778026,0.360317699,0.372755745,0.317221258,0.054283563,7.29391387,12.62704584,20.87961316,0.483643587,0.744260567,5.514504291,3.47848131,0.152472973,0.602977341,0.380350672,0.53351681,0.544669633,0.199498257,9.145458574,20.55328736,32.62349777,0.474992018,1.2776847,5.302280997,3.281123366,0.135141718,0.608161148,0.376338364,0.494175249,0.487160517,0.15672283,8.71854608,18.55741408,29.62707982,0.476749268,1.138058595 +UMLYSI0035,L,"1,1-diphenylethylene",C=C(C1=CC=CC=C1)C2=CC=CC=C2,aromatic,C14H12,530-48-3,10740,PubChem,,743.1,0,2.9275,8.57025625,68.3985,32.641516,12,12,26,14,12,0,14,0,0,0,0,0,0,0,0,0,2031.890462,2309.246871,3008.390299,2943.881154,2391.038846,2058.146508,1456.875848,782.96266,249.249337,6302.241558,7729.592923,10602.11044,11084.59945,9620.005071,8438.35978,6514.81894,3902.858402,1590.079788,186.188792,198.519324,306.576172,388.770696,372.843896,356.166192,311.768864,224.665744,118.229284,44.37995486,55.19603172,77.93168772,84.93634392,76.00783254,67.75430692,54.3716183,34.30766382,15.25415772,3994.13281,3739.385914,5962.706467,8049.070962,7848.138633,7721.730338,6908.307818,5176.150012,2831.115954,69.33333333,81.88888889,114.4444444,133.3333333,128.6666667,116.6666667,93.33333333,60,28,78.14963315,85.52766189,71.62834045,54.51631767,45.98151627,41.16293016,33.11081473,24.46758313,14.66172571,242.3939061,286.2812194,252.4312009,205.2703601,185.0000975,168.7671956,148.0640668,121.9643251,93.53410519,7.161107385,7.352567556,7.299432667,7.199457333,7.170074923,7.12332384,7.085656,7.0208045,6.954663765,1.706921341,2.044297471,1.855516374,1.572895258,1.461689087,1.355086138,1.235718598,1.072114494,0.897303395,153.6204927,138.4957746,141.9692016,149.0568697,150.9257429,154.4346068,157.0069959,161.7546879,166.5362326,2.666666667,3.032921811,2.724867725,2.469135802,2.474358974,2.333333333,2.121212121,1.875,1.647058824,0.087697813,-0.011558143,-0.023997973,0.003787386,-0.014424533,-1.78E-04,-0.013349946,3.07E-04,0.004113802,782.2726735,25.78920902,-136.8260812,-97.42590073,-260.7575578,-51.57841804,-94.56043307,42.98201503,65.90575638,1454.669441,47.95613541,-254.4339406,-181.1676226,-484.8898136,-95.91227081,-175.8391632,79.92689235,122.5545683,0.153241846,0.005051929,-0.02680329,-0.019085065,-0.051080615,-0.010103858,-0.01852374,0.008419882,0.012910485,6.503049225,0.214386238,-1.137438097,-0.809903567,-2.167683075,-0.428772476,-0.786082873,0.357310397,0.547875942,35.3246666,1.164549448,-6.178581796,-4.399409027,-11.77488887,-2.329098897,-4.270014644,1.940915747,2.976070813,7.794871795,-1.89809336,-1.531886917,1.656804734,-1.58974359,-0.887573964,-1.499013807,0.355029586,0.544378698,0.003372993,-4.28E-04,-5.71E-04,7.01E-05,-2.77E-04,-3.56E-06,-3.03E-04,9.61E-06,2.42E-04,30.08741052,0.95515589,-3.257763838,-1.804183347,-5.01456842,-1.031568361,-2.149100751,1.34318797,3.876809199,55.94882464,1.776153163,-6.057950967,-3.354955975,-9.324804107,-1.918245416,-3.996344617,2.497715386,7.209092251,0.005893917,1.87E-04,-6.38E-04,-3.53E-04,-9.82E-04,-2.02E-04,-4.21E-04,2.63E-04,7.59E-04,0.250117278,0.007940231,-0.027081859,-0.014998214,-0.041686213,-0.00857545,-0.01786552,0.01116595,0.032227997,1.358641023,0.043131461,-0.14710909,-0.081470538,-0.226440171,-0.046581978,-0.097045787,0.060653617,0.175062989,0.299802761,-0.070299754,-0.036473498,0.030681569,-0.030571992,-0.017751479,-0.034068496,0.011094675,0.032022276,-0.126913807,-0.169398617,0.020793636,-0.082239983,-0.001055966,-0.08995212,0.002848478,0.071742914,0.031746032,-0.108276644,-0.059964727,-0.166666667,-0.034285714,-0.071428571,0.044642857,0.128851541,0.031746032,-0.108276644,-0.059964727,-0.166666667,-0.034285714,-0.071428571,0.044642857,0.128851541,0.031746032,-0.108276644,-0.059964727,-0.166666667,-0.034285714,-0.071428571,0.044642857,0.128851541,0.031746032,-0.108276644,-0.059964727,-0.166666667,-0.034285714,-0.071428571,0.044642857,0.128851541,0.031746032,-0.108276644,-0.059964727,-0.166666667,-0.034285714,-0.071428571,0.044642857,0.128851541,-0.23448668,-0.121658312,0.102339181,-0.101973684,-0.059210526,-0.113636364,0.037006579,0.106811146,1.043174932,1.003715408,0.854636484,1.041867702,1.002842525,1.110273729,1.053012426,1.018443528,0.85978836,1.013321995,1.00308642,1.116071429,1.005952381,1.055194805,0.967261905,0.910364146,0.85978836,1.013321995,1.00308642,1.116071429,1.005952381,1.055194805,0.967261905,0.910364146,0.85978836,1.013321995,1.00308642,1.116071429,1.005952381,1.055194805,0.967261905,0.910364146,0.85978836,1.013321995,1.00308642,1.116071429,1.005952381,1.055194805,0.967261905,0.910364146,0.85978836,1.013321995,1.00308642,1.116071429,1.005952381,1.055194805,0.967261905,0.910364146,1.201064003,0.882414369,0.785311079,1.267817982,1.183114035,1.052880781,0.801809211,0.754643963,68.56486316,34.28243158,53.18289366,68.56486316,4.897490225,34.28243158,0,4.72E-16,3.37E-17,-49.40583422,3000044.952,214288.9251,20.87979296,68.56486316,34.28243158,53.18289366,68.56486316,4.897490225,34.28243158,0,4.72E-16,3.37E-17,-49.40583422,3000044.952,214288.9251,20.87979296,68.56486316,34.28243158,53.18289366,68.56486316,4.897490225,34.28243158,0,4.72E-16,3.37E-17,-49.40583422,3000044.952,214288.9251,20.87979296,68.56486316,34.28243158,53.18289366,68.56486316,4.897490225,34.28243158,0,4.72E-16,3.37E-17,-49.40583422,3000044.952,214288.9251,20.87979296,68.56486316,34.28243158,53.18289366,68.56486316,4.897490225,34.28243158,0,4.72E-16,3.37E-17,-49.40583422,3000044.952,214288.9251,20.87979296,68.56486316,34.28243158,53.18289366,68.56486316,4.897490225,34.28243158,0,4.72E-16,3.37E-17,-49.40583422,3000044.952,214288.9251,20.87979296,84.87291032,42.02536327,66.97045959,84.78590737,6.05613624,42.02536327,-0.266666667,3.89E-16,2.78E-17,-49.67765264,3000043.701,214288.8358,20.87979238,0,11.85,12.15017245,-0.207649688,0.092621193,6.698011719,10.2253851,15,27,20,14,2,7,1,0,0,13,13.118484,3.87636824,3.685571875,3.13926902,2.619181914,2.619181914,2.504002052,2.33949295,1.06126093,2.025033675,1.887024474,1.453344975,1.082250302,1.082250302,0.926508876,0.918665126,0.310513972,3.885184977,3.697839778,3.1566462,2.645815032,2.645815032,2.524959487,2.375619698,1.144395198,2.000284194,1.85438747,1.399320986,1.007167592,1.007167592,0.844854126,0.838498298,0.150156259,3.925609497,3.753641659,3.239051411,2.771820215,2.771820215,2.62904968,2.544045166,1.517793787,1.934055682,1.765197588,1.256760223,0.798620231,0.798620231,0.652258884,0.579037409,0.396843083,3.89176101,3.706968874,3.169755745,2.665925019,2.665925019,2.541019993,2.402826246,1.206183734,1.985159487,1.834252271,1.366377816,0.960278991,0.960278991,0.799840051,0.782159667,0.041902902,3.94646657,3.782107253,3.283032522,2.838078588,2.838078588,2.687104756,2.629899572,1.721464227,1.915083059,1.739187207,1.217198277,0.738564276,0.738564276,0.600771853,0.50015936,0.57992983,3.870007064,3.695736395,3.274452946,2.68285955,2.68285955,2.511823112,2.508578672,1.238400997,2.009441184,1.837894632,1.293154462,0.926004789,0.926004789,0.801499737,0.672545188,0.041885322,0,0,1,10,3,0,0,0,0,0,0,0,0.204124145,0.11785113,0,0,0,0.06415003,0.032075015,0.525783423,0,0.19245009,0,0.255055014,0,0.058925565,0,1.541518998,2.285535934,2.98347837,0.597758698,0.73090178,0.7831855,9.803118619,6.877010098,5.655296949,4.786799924,3.70480061,2.845979306,1.338835953,0.916116078,0.700222759,0.45846734,0.297647208,0.199449997,0.132314307,0.088936853,0.055784831,0.038171503,7.980609473,4.674920596,3.210604198,2.244501562,1.445341299,0.920769189,0.364939672,0.205735996,0.570043534,0.311661373,0.168979168,0.093520898,0.051619332,0.028774037,0.01520582,0.008572333,17.25096682,25.32702112,24.35294118,24.56,18.79132695,192.1110874,0.663498724,0.974116197,0.936651584,0.944615385,0.722743344,7.388887978,3.56539,59.958,84.11148628,120.5089256,168.2229726,12.01592661,84.11148628,1.67E-16,1.19E-17,-50.86386965,3000049.405,214289.2432,20.87979504,183,0,0,0,14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,10,0,0,0,0,11,0,0,0,0,0,0,0,0,0,1,0,0,0,10,0,0,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,28,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,4.5,0,0,0,0,4.95,0,0,0,0,0,0,0,0,0,4.095185185,0,0,0,20.47092593,0,0,0,1.075185185,2.358703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.075185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0.45,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,4.095185185,0,0,0,2.015648148,0,0,0,1.075185185,1.179351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.095185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0.45,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,4.095185185,0,0,0,2.078703704,0,0,0,1.075185185,1.179351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,28,2,0.45,4.095185185,0.25,1.075185185,7.74321537,0.591481481,1.095185185,3.132222222,0.591481481,1.095185185,3.132222222,7,0.5,0,0,0.51538,0.7,0.44,0.44,0.7,0.07538,0.07538,0,0,0.71429,0,0,0.07143,0.21429,0,21,1.5,7.5,0.53571,13.5,0.96429,6,0.42857,0,0,6.41439,0.45817,18.30478,11.8904,0.84931,2.46332,0.17595,6.87699,4.41367,0.31526,0.03701,0.00264,0.20901,0.01493,0.5,43,0,0,0,0,0,0,0,0.995727452,1.5852967,2.258749585,3.10390991,3.071034796,3.209867122,25.88891375,41.21771421,58.72748922,80.70165767,79.8469047,83.45654517,0.211837086,0.337265617,0.48054006,0.660344584,0.653350533,0.682886563,3.704712266,3.115143018,2.441690133,1.596529808,1.629404922,1.490572596,0.195721813,0.311608507,0.443983505,0.610109598,0.603647612,0.630936721,6.289566003,13.36439698,18.14806536,24.18504356,19.77003793,23.12712968,46.57293998,45.54515774,40.97217774,30.96367987,37.51843655,32.23576421,10.51555556,5.185595568,2.75,2,14,2,3,1.563,0,2.68246152,1.889881575,0,13.99526164,11.77053417,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.2,0.208,0.995,1.423,6.936,19,24,28,32,24,24,20,16,12,228,3.135494216,3.663561646,4.226833745,4.711779921,5.192262165,5.029620594,5.364222141,5.432902891,5.614495784,5.731873777,7.380791415,7.034470943,0.5,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.133333333,2,0.133333333,0,4,8,1,1.5,1.333333333,0.875,0.382222222,0.138888889,0.078367347,0.048611111,0,0,0,0.1,0.070175439,0.048611111,0.027301587,0.011574074,0.009795918,0.012152778,0,0,0,0.279610907,45.12535533,67.87777379,90.25071066,6.446479333,45.12535533,7.22E-16,5.15E-17,-48.81099775,3000047.605,214289.1146,20.8797942,0,185.7321152,4.807354922,4.234106505,5.043425117,5.866468057,6.693323668,7.524561226,8.35678967,9.191055611,10.02530688,10.86078586,96.79582259,3.433987204,0,4.672828834,0,6.137727054,0,7.690286021,0,9.282754052,9.514068023,180.0939004,6.926688476,28.405439,2.028959929,0,0,0,307,18,4.773,68,1.237158624,2.212049145,3.034413258,3.896301934,4.559714789,5.317547637,6.110978735,7.01993551,8.000309846,8.831264925,113.8087599,165.6382624,168.423677,187.1279713,199.3796361,185.9382727,156.3262772,103.4868246,37.33610164,8.973130364,372.861101,575.6154519,634.9010546,736.3058058,803.2222633,815.6405012,767.7492898,664.4789134,468.9723585,274.5087819,9.121883159,16.17236144,21.88734157,27.94255078,32.55792694,37.74291331,42.96687663,48.86441867,54.8009689,59.33253547,2.630504301,4.199514718,4.856760129,5.767557594,6.385381478,6.744079773,6.697667943,6.366180772,5.318615349,3.926494352,169.7479928,312.3950075,449.1306384,588.0694588,698.5788512,830.239891,983.7790881,1165.599509,1395.668791,1633.056774,3.846150926,6.134045141,7.612733262,9.713514183,10.94869184,11.52287211,11.65514849,11.66532317,10.63372537,8.831264925,0.538091726,0.864722292,1.009528752,1.204387511,1.337414837,1.422580648,1.426760092,1.37732889,1.181589705,0.904321528,290.1749071,211.3226108,17.53098935,151.7082946,-110.4829953,-9.454661289,138.4666125,321.8056061,26.98565064,0.656677842,0.478231827,0.039673355,0.343322158,-0.250027597,-0.02139629,128.223417,93.37991188,7.746649704,67.03734697,-48.82057971,-4.177856002,0.085631169,0.124105598,1.585559954,2.25981019,441.8832018,0,1,0,1195.229929,34.57209755,10.61248656,1314.02211,36.24944289,10.95302866,2230.30404,47.2260949,13.06535929,1.782162071,1.726827513,1153.504997,1090.174424,310.2546021,1.058092147,3.717930336,3.513805812,5.049433768,5.123197704,8.831264925,0.723779841,4.327373231,2.274320304,6.335459835,11.31829876,5.13061745,12.12994955,8.499836319,15.07042311,9.460994593,11.3243115,11.04669996,2.625259728,8.193140673,1.549633029,0.782319712,0.25486558,0.058085378,3.78E-20,4.76E-60,1.16E-121,5.41E-205,4.88753713445783E-310,0,0,0,0,0,0,0,0,0.363777143,2.274318901,0.502020295,2.328561281,2.356399176,6.084045191,2.747866915,7.373680599,3.323614641,1.656961924,1.782853547,0.217177666,0.823635541,0.033275124,0.065654672,0.001795039,4.09E-04,2.67E-22,3.35E-62,8.14E-124,3.81E-207,3.442332366884E-312,0,0,0,0,0,0,0,0,1.172831606,2.274319178,1.63535382,3.375669479,2.809860914,7.313528379,3.64802367,8.633005695,4.292750914,3.023106574,3.461504496,0.668196052,1.532370443,0.171183856,0.211941286,0.018705692,0.004263138,2.78E-21,3.50E-61,8.49E-123,3.97E-206,3.5871757315153E-311,0,0,0,0,0,0,0,0,4.084724719,2.274320215,5.958036096,10.48922449,4.92087146,11.75819106,8.050792976,14.4889493,8.98492834,10.51768753,10.40447006,2.463503151,7.460549785,1.396091957,0.738445992,0.227080643,0.051753026,3.37E-20,4.24E-60,1.03E-121,4.82E-205,4.3547075938196E-310,0,0,0,0,0,0,0,0,1.72822213,2.274319372,2.430393771,4.328416947,3.154645395,8.15890027,4.347292359,9.590056182,5.042249336,4.141202647,4.676881299,0.989838004,2.255106497,0.316809105,0.31236246,0.040631262,0.009260106,6.03E-21,7.59E-61,1.84E-122,8.63E-206,7.791825031047E-311,0,0,0,0,0,0,0,0,5.225791455,2.274320637,7.75594458,14.70446345,5.952527636,13.50825757,10.27247788,17.34857897,11.33758246,14.5547614,13.50986299,3.240448429,11.22514337,2.187058978,0.94476435,0.371697496,0.084712065,5.52E-20,6.95E-60,1.69E-121,7.89E-205,7.1280135721794E-310,0,0,0,0,0,0,0,0,2.344216383,2.08395002,2.923056022,4.760280023,4.122547126,8.508646266,4.612404086,10.80698825,5.968416082,5.198902882,5.8456391,1.249078929,2.956859558,0.460122017,0.391159856,0.063716395,0.014521344,9.46E-21,1.19E-60,2.89E-122,1.35E-205,1.22188428361443E-310,0,0,0,0,0,0,0,0,6.449698087,1.748670294,1.312807313,0.678117858,0.183854273,0.527822572,0.34841338,0.467829961,9.511175694,22.04127342,46.35880914,0.517176787,1.344065913,5.367701998,1.037303885,0.685495811,0.757027109,0.14629485,0.368351672,0.12266572,0.128269716,7.090501695,9.958542842,20.86584281,0.635540663,0.619287108,5.699333757,1.256156592,0.879716878,0.727400513,0.160322064,0.414098306,0.179855638,0.211465045,7.835207227,13.27811792,27.4114432,0.59110077,0.80541899,6.410258064,1.722866663,1.290242471,0.680251329,0.182829198,0.521489987,0.338212805,0.452153872,9.423367198,21.53772286,45.21055361,0.520376994,1.311856664,5.881632238,1.376135129,0.985706549,0.713489519,0.166936311,0.440419887,0.215833383,0.265333826,8.243473915,15.24794956,31.46965415,0.570234278,0.921587096,6.57959821,1.833597187,1.386983485,0.671375318,0.187098339,0.548959661,0.383055551,0.521088714,9.800178882,23.73329584,50.26650503,0.507062976,1.453103926,6.403415462,1.732775061,1.287593461,0.679495145,0.183872536,0.520386089,0.342094172,0.450368489,9.423783984,21.57178433,45.28229155,0.519242717,1.31284875 +UMLYSI0036,L,1-ethylnaphthalene,CCC1=CC=CC2=CC=CC=C21,aromatic,C12H12,1127-76-0,14315,PubChem,,732.7,0,2.0591,4.23989281,58.2832,29.121516,10,11,24,12,12,0,12,0,0,0,0,0,0,0,0,0,1743.36222,2020.718629,2710.803161,2766.343961,2124.692652,1253.097222,391.571881,61.637184,3.048192,5455.207754,6882.559119,9733.591251,10410.12393,8940.277011,6470.941451,3131.936268,863.0351431,93.25123329,171.10776,183.438292,304.5329,380.032676,358.5612,346.511256,256.989412,115.81056,20.155392,38.80215486,49.61823172,72.57418213,80.1406497,71.76789535,56.58862847,31.50466127,10.234145,1.333838715,3740.544097,3485.797202,6110.748164,8017.661919,7530.959712,7726.57694,6179.722847,3016.419667,554.7529561,54.58333333,67.38888889,100.1111111,115,108.6666667,94.16666667,58.5,21,3,72.6400925,80.82874516,64.5429324,52.19516908,42.49385304,25.57341269,10.58302381,3.625716706,1.016064,227.3003231,275.3023648,231.7521726,196.4174326,178.8055402,132.0600296,84.64692617,50.76677312,31.08374443,7.12949,7.33753168,7.250783333,7.170427849,7.171224,7.071658286,6.945659784,6.812385882,6.718464,1.616756452,1.984729269,1.727956717,1.51208773,1.435357907,1.154869969,0.851477332,0.60200853,0.444612905,155.8560041,139.4318881,145.4940039,151.27664,150.6191942,157.6852437,167.0195364,177.436451,184.917652,2.274305556,2.695555556,2.383597884,2.169811321,2.173333333,1.921768707,1.581081081,1.235294118,1,0.060575093,-0.00510684,-0.018732718,0.009088317,-0.015034299,-0.020700329,-5.79E-04,0.016461114,0.00431588,726.396054,30.26650225,-5.47E-13,90.79950675,-423.7310315,-393.4645292,-30.26650225,272.3985203,90.79950675,1350.764481,56.28185336,3.69E-13,168.8455601,-787.945947,-731.6640937,-56.28185336,506.5366802,168.8455601,0.142296,0.005929,1.78E-15,0.017787,-0.083006,-0.077077,-0.005929,0.053361,0.017787,6.038545709,0.251606071,1.02E-14,0.754818214,-3.522484997,-3.270878926,-0.251606071,2.264454641,0.754818214,32.80147613,1.366728172,-1.11E-13,4.100184516,-19.13419441,-17.76746624,-1.366728172,12.30055355,4.100184516,4.989583333,-0.263454861,-0.214409722,1.227864583,-1.9609375,-2.475260417,-0.88671875,1.50390625,0.57421875,0.002523962,-2.04E-04,-4.46E-04,1.71E-04,-3.01E-04,-4.22E-04,-1.56E-05,9.68E-04,0.001438627,30.26650225,1.21066009,-1.30E-14,1.713198241,-8.47462063,-8.029888352,-0.818013574,16.02344237,30.26650225,56.28185336,2.251274134,8.80E-15,3.185765285,-15.75891894,-14.93192028,-1.521131172,29.79627531,56.28185336,0.005929,2.37E-04,4.23E-17,3.36E-04,-0.00166012,-0.001573,-1.60E-04,0.003138882,0.005929,0.251606071,0.010064243,2.43E-16,0.014241853,-0.0704497,-0.066752631,-0.006800164,0.133203214,0.251606071,1.366728172,0.054669127,-2.63E-15,0.077361972,-0.382683888,-0.362601352,-0.036938599,0.723561973,1.366728172,0.207899306,-0.010538194,-0.005104993,0.023167256,-0.03921875,-0.050515519,-0.023965372,0.088465074,0.19140625,-0.080933706,-0.176713063,0.067939877,-0.119132523,-0.167377982,-0.006196505,0.383643151,0.569987415,0.04,-4.30E-16,0.056603774,-0.28,-0.265306122,-0.027027027,0.529411765,1,0.04,1.56E-16,0.056603774,-0.28,-0.265306122,-0.027027027,0.529411765,1,0.04,7.14E-15,0.056603774,-0.28,-0.265306122,-0.027027027,0.529411765,1,0.04,9.67E-16,0.056603774,-0.28,-0.265306122,-0.027027027,0.529411765,1,0.04,-1.93E-15,0.056603774,-0.28,-0.265306122,-0.027027027,0.529411765,1,-0.050688935,-0.024555125,0.111434986,-0.188643006,-0.2429807,-0.115273938,0.425518851,0.920668058,1.02924763,1.018177938,0.821221892,1.115518933,1.203377609,1.041054463,0.580965175,0.281234307,0.92,0.958333333,0.90408805,1.226666667,1.212585034,0.984234234,0.450980392,0,0.92,0.958333333,0.90408805,1.226666667,1.212585034,0.984234234,0.450980392,0,0.92,0.958333333,0.90408805,1.226666667,1.212585034,0.984234234,0.450980392,0,0.92,0.958333333,0.90408805,1.226666667,1.212585034,0.984234234,0.450980392,0,0.92,0.958333333,0.90408805,1.226666667,1.212585034,0.984234234,0.450980392,0,1.034599861,0.922225536,0.777930962,1.143437717,1.259540142,1.136827851,0.542306275,0,45.71772674,22.85886337,32.00304516,45.71772674,3.809810561,22.85886337,-3.55E-15,0.242228868,0.020185739,-1.701446715,81.26794698,6.772328915,5.277302019,45.71772674,22.85886337,32.00304516,45.71772674,3.809810561,22.85886337,-3.55E-15,0.242228868,0.020185739,-1.701446715,81.26794698,6.772328915,5.277302019,45.71772674,22.85886337,32.00304516,45.71772674,3.809810561,22.85886337,-3.55E-15,0.242228868,0.020185739,-1.701446715,81.26794698,6.772328915,5.277302019,45.71772674,22.85886337,32.00304516,45.71772674,3.809810561,22.85886337,-3.55E-15,0.242228868,0.020185739,-1.701446715,81.26794698,6.772328915,5.277302019,45.71772674,22.85886337,32.00304516,45.71772674,3.809810561,22.85886337,-3.55E-15,0.242228868,0.020185739,-1.701446715,81.26794698,6.772328915,5.277302019,45.71772674,22.85886337,32.00304516,45.71772674,3.809810561,22.85886337,-3.55E-15,0.242228868,0.020185739,-1.701446715,81.26794698,6.772328915,5.277302019,53.32531037,25.9818402,37.38263651,53.26281037,4.438567531,25.9818402,-0.125,0.373930064,0.031160839,-1.180423793,102.5800475,8.548337293,5.556772134,0,11.85,12.1501417,-0.185509907,0.117149102,5.775385267,9.821417273,13,25,20,14,2,5,0,0,0,11,13.118484,3.998862379,3.351846781,3.091309975,2.713414561,2.490891818,2.186556358,1.598256121,1.027928061,2.119519877,1.688814507,1.518685159,1.154834985,0.888085552,0.867927764,0.636137708,0.302774327,4.005920879,3.370008748,3.117823019,2.744335452,2.510201849,2.226967121,1.684135565,1.125177654,2.099052838,1.628964532,1.457425826,1.089122559,0.805851909,0.771935072,0.514277279,0.146336756,4.038363921,3.456273214,3.242855395,2.876081208,2.605542262,2.419043937,2.036305204,1.544450288,2.045168277,1.474949392,1.268886853,0.901778058,0.626760977,0.459938593,0.100818752,0.37605966,4.011188256,3.383702624,3.137891203,2.766867591,2.524963348,2.257537616,1.746243951,1.196935219,2.086646207,1.592770573,1.417450082,1.048034569,0.762950241,0.703653118,0.432330067,0.041446746,4.055188956,3.502816011,3.306586148,2.938618719,2.658659784,2.520029277,2.190208361,1.735140702,2.029898474,1.433320349,1.210168603,0.843251697,0.579692788,0.368271798,0.048451497,0.55889746,4.000724295,3.421476713,3.151138701,2.809266763,2.538653876,2.315123628,1.786440555,1.286474749,2.097979041,1.572097005,1.352395837,0.995093143,0.726811792,0.630538873,0.357659,0.071712447,0,0,0,7,3,1,1,0,0,0,0,0,0.151374715,0.251375655,0,0,0,0.051834039,0.07471452,0.469416097,0,0.136082763,0,0.25756419,0,0.053519044,0,1.429497632,2.470938603,3.263750975,0.674646176,0.983556555,1.08401569,8.388905057,5.9150149,4.807622922,4.247577466,3.578538986,2.842613538,1.565580395,1.013134691,0.699075421,0.455001146,0.282801348,0.184677281,0.123397896,0.083606281,0.057984459,0.040525388,7.248558666,4.382027377,2.99182567,2.260836789,1.60079195,1.057616251,0.493729901,0.26953377,0.604046555,0.337079029,0.175989745,0.098297252,0.055199722,0.03110636,0.018286293,0.010781351,15.25096682,23.32702112,22.35294118,22.56,16.79132695,178.6256982,0.635456951,0.971959213,0.931372549,0.94,0.699638623,7.442737425,3.4022,53.326,86.60999699,110.9456674,173.219994,14.4349995,86.60999699,0.068092682,0.00567439,-3.224262644,114.2872857,9.523940472,5.686458394,119,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,2,0,0,7,0,0,0,0,0,0,0,0,1,0,1,0,0,7,0,0,0,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.19134259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.992467404,0,0.716838152,0,0,2.992467404,0,0,0,0,0,0,0,0,2.196203704,0,1.112453704,0,0,15.01777778,0,0,0,0,1.438055556,2.735509259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.344305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0.314963152,0,0,0.406597222,0,0,0,0,0,0,0,0,2.196203704,0,1.112453704,0,0,2.085092593,0,0,0,0,1.438055556,1.344305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.196759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.437953515,0,0.401875,0,0,0.437953515,0,0,0,0,0,0,0,0,2.196203704,0,1.112453704,0,0,2.196759259,0,0,0,0,1.438055556,1.391203704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.5,1.875,0.437953515,2.196759259,0.159722222,1.112453704,7.176549444,0.387546296,0.196759259,2.427962963,0.387546296,0.196759259,2.427962963,6,0.5,0,0,0.5,0.7,0.44118,0.44118,0.7,0.05882,0.05882,0,0,0.71429,0,0,0.08333,0.25,0,16.5,1.375,6.5,0.54167,10,0.83333,3.5,0.29167,0,0,6.65765,0.5548,14.78711,8.12946,0.67745,2.71067,0.22589,5.915,3.20433,0.26703,-0.001,-8.00E-05,0.171,0.01425,0.416666667,37,0,0,0,0,0,0,0.166666667,1,2.380270443,3.088456377,3.823934896,4.220175521,4.303508855,24,57.12649063,74.12295306,91.77443751,101.2842125,103.2842125,0.218104292,0.5191472,0.673605592,0.834016613,0.920438394,0.938613752,3.584962501,2.204692058,1.496506123,0.761027604,0.364786979,0.281453646,0.202809424,0.482741278,0.626368059,0.775530034,0.855891367,0.872792153,6.503912516,17.68171342,23.95643238,28.13719774,29.45255354,29.53653896,42,34.78598686,25.72921964,19.21090261,17.03007552,16.81466198,8.591715976,3.806228374,1.701323251,2,10,2,2.78,1.3672,0,2.155520584,1.040041912,0,10.64671375,11.76673101,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.193,0.184,0.895,1.4,6.345,17,23,29,34,27,25,21,18,6,225,2.970414466,3.597312261,4.26969745,4.887525597,5.447545235,5.576895625,5.880271081,6.123862485,6.380910097,5.263812858,7.765473822,10.47455729,0.5,2,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,3,0,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.076923077,2,0.153846154,0,3,6,1,1.5,1.333333333,0.6875,0.475555556,0.152777778,0.04,0,0,0,0,0.115384615,0.078431373,0.040441176,0.03962963,0.025462963,0.04,0,0,0,0,0.339349757,31.17080183,43.68044702,62.34160366,5.195133638,31.17080183,0.046205526,0.00385046,-3.689587064,117.0416075,9.753467289,5.715035389,0,156.4130633,4.584962501,4.110873864,4.94875989,5.802118375,6.658011046,7.518064181,8.377241231,9.238441802,10.09827278,10.95966196,92.71144513,3.295836866,0,4.553876892,0,6.061456919,0,7.681099002,0,9.352447389,9.56472269,156.0939004,6.503912516,24.53691027,2.044742522,0,0,0,182,17,4.08,60,1.253340295,2.212742921,3.063573692,4.002586607,4.755434338,5.434777249,6.063917725,6.38059823,0,0,110.6525103,153.6748803,169.6496232,179.8750078,125.2357111,57.12108002,20.87324511,6.48309616,0,0,366.8855207,540.3038354,630.6422283,741.9122812,641.6752614,460.3160352,299.4523391,198.3328847,0,0,9.22633189,16.09225819,22.03694319,28.75589877,33.67319933,37.75442265,41.26969753,42.8678195,0,0,2.60602792,3.98062956,4.812050885,5.899941746,5.58548664,4.633581183,3.583413878,2.836896314,0,0,172.893586,318.6880407,458.3635024,599.1972948,746.4717761,907.1765937,1079.150158,1179.885243,0,0,3.4692651,5.420394046,6.849131855,8.874090243,9.242598324,8.595513018,7.390388266,6.38059823,0,0,0.533795116,0.821470405,1.00019487,1.234641391,1.187657077,1.009459108,0.803467522,0.653373259,0,0,268.097103,151.8714339,12.68778788,148.877916,-84.33624357,-8.033956626,119.219187,236.2076774,20.72174451,0.642957229,0.364221901,0.030428173,0.357042771,-0.202257305,-0.019267237,111.7897946,63.32659402,5.290490592,62.07837185,-35.16610676,-3.349959216,0.110101358,0.10811851,0.830562633,0.996253135,416.975019,0,1,0,975.7223254,31.23655431,9.918410544,1093.452944,33.06740002,10.3022804,1781.195587,42.20421291,12.12189553,1.124210903,1.023654309,822.3871261,501.725943,360.6531053,1.63911621,2.280271857,1.39115936,4.618834009,4.083898127,7.320562977,0.792542994,3.91856023,4.554381543,5.766475836,12.84835498,3.071653683,6.692891941,7.082516495,9.097133764,8.0833186,3.920358832,10.84813687,0.649701673,1.410968961,0.066309667,1.09E-20,4.13E-61,3.28E-123,5.20E-207,1.60101457932E-312,0,0,0,0,0,0,0,0,0,0,0,0.328990699,4.55427787,0.435718288,8.231582039,0.820429753,1.377193137,1.296119398,1.834064326,3.674371441,0.291950575,0.605118266,0.022540519,0.00993757,4.67E-04,7.65E-23,2.91E-63,2.31E-125,3.66E-209,1.127607659E-314,0,0,0,0,0,0,0,0,0,0,0,1.061698367,4.554285101,1.43818808,8.874297136,1.093026679,2.281938487,2.465168244,2.968520179,4.352343644,0.86209097,2.154560264,0.093839003,0.103557139,0.004866754,7.97E-22,3.03E-62,2.41E-124,3.81E-208,1.17505411967E-313,0,0,0,0,0,0,0,0,0,0,0,3.698809355,4.554370268,5.409830026,12.4597073,2.867707186,6.303683758,6.724004557,8.529350629,7.734874046,3.637914765,10.02954555,0.591242198,1.257147942,0.05908072,9.67E-21,3.68E-61,2.93E-123,4.63E-207,1.426475166236E-312,0,0,0,0,0,0,0,0,0,0,0,1.564679211,4.554294202,2.151783859,9.404478143,1.335658083,2.956553233,3.271269884,3.850644117,4.883663112,1.304097998,3.378949502,0.159624068,0.224939943,0.010571241,1.73E-21,6.58E-62,5.24E-124,8.28E-208,2.5523745664E-313,0,0,0,0,0,0,0,0,0,0,0,4.732198807,4.554428884,7.121378862,14.40771123,3.901859351,8.206377634,8.414776338,11.33919904,9.462619098,5.034605817,14.09646986,0.888933232,2.057765624,0.096706418,1.58E-20,6.02E-61,4.79E-123,7.58E-207,2.33492929807E-312,0,0,0,0,0,0,0,0,0,0,0,2.149975757,3.882732473,3.001735502,9.296107289,1.677264458,3.592556056,4.218434833,4.94173327,5.60446053,1.892983798,4.88341955,0.251270423,0.401342282,0.018861416,3.09E-21,1.17E-61,9.34E-124,1.48E-207,4.5539970256E-313,0,0,0,0,0,0,0,0,0,0,0,4.467468014,3.21445989,0.326813852,0.557823957,0.401368903,0.542751061,0.459686444,0.234881322,8.008741756,16.87105719,29.57300821,0.438789289,1.237318826,3.145272337,2.218126072,0.130259769,0.572527856,0.40376121,0.270767219,0.224950813,0.037429616,5.493658178,7.675245612,14.07767547,0.464433598,0.533147648,3.560833846,2.5473126,0.193406236,0.565072455,0.404235706,0.344835578,0.295119924,0.082409135,6.301552682,10.25191053,18.30776549,0.453962243,0.722364637,4.421193043,3.181589094,0.320105511,0.558027987,0.401569382,0.531433734,0.450868366,0.225353668,7.922887647,16.50011202,28.92573809,0.439396053,1.207655767,3.785875328,2.718302315,0.226980754,0.562440386,0.403838709,0.389283949,0.334447688,0.113441853,6.731158397,11.76747681,20.83452903,0.449418642,0.83717349,4.618721489,3.321241124,0.348684262,0.55723468,0.400697626,0.580654252,0.488853446,0.267311004,8.288646875,18.10842775,31.74585206,0.436898459,1.336818703,4.421851882,3.188156309,0.319698457,0.557631206,0.402052239,0.53152957,0.45296665,0.22494679,7.929706648,16.53046285,28.96713607,0.439525167,1.20944301 +UMLYSI0037,L,"2,2-diphenylpropane",CC(C)(C1=CC=CC=C1)C2=CC=CC=C2,aromatic,C15H16,778-22-3,13065,PubChem,,727.5,0,3.3298,11.08756804,73.0961,37.068688,12,12,31,15,16,0,15,0,0,0,0,0,0,0,0,0,2180.218839,2501.939344,3494.691334,3690.43687,3219.381666,2605.073534,1594.203752,791.091172,249.249337,6850.093437,8612.05629,12487.02633,14384.97968,13888.55871,12077.46582,8159.525015,4151.528358,1590.079788,220.603164,234.530368,391.260568,518.579608,605.824776,621.095288,490.440608,278.413456,118.229284,48.94730648,62.43910896,92.97562949,111.6815643,113.4358349,102.7167996,72.62086788,37.86456706,15.25415772,4860.597774,4478.670461,7880.167987,10699.96405,13082.02588,13996.45244,11398.21573,6655.491228,2831.115954,71.11805556,86.5,127.6111111,161.6666667,178.3333333,171.8333333,127.3333333,68,28,70.32963997,78.1856045,64.71650619,51.25606764,37.87507842,29.60310834,22.77433931,19.7772793,14.66172571,220.970756,269.1267591,231.2412283,199.7913845,163.3948083,137.2439298,116.5646431,103.7882089,93.53410519,7.116231097,7.329074,7.245566074,7.202494556,7.127350306,7.057901,7.0062944,6.9603364,6.954663765,1.57894537,1.951222155,1.721770916,1.551132837,1.334539234,1.167236359,1.03744097,0.946614176,0.897303395,156.7934766,139.9584519,145.9290368,148.6106119,153.9061868,159.0505959,162.8316533,166.3872807,166.5362326,2.294130824,2.703125,2.363168724,2.24537037,2.098039216,1.952651515,1.819047619,1.7,1.647058824,0.08624254,-0.009303606,-0.017551945,-0.004691346,-0.016811767,-1.52E-04,-0.013781422,0.0037622,0.003962081,937.285231,32.25067461,93.4765647,-333.5929155,-449.3677982,-145.6319526,23.68408917,212.1489689,17.13317089,1742.92191,59.9715066,173.8236637,-620.3302714,-835.6186095,-270.8088345,44.04157516,394.5000668,31.85986288,0.183607742,0.006317686,0.018311417,-0.065348562,-0.088028067,-0.0285283,0.00463955,0.041558527,0.003356271,7.791671883,0.268100538,0.777072653,-2.773164939,-3.735603979,-1.210641491,0.196886333,1.763598851,0.142428411,42.32448533,1.456326377,4.221070983,-15.06387596,-20.2918601,-6.576223796,1.069489683,9.579896948,0.773673388,6.999551971,-1.197566193,0.804543878,-1.016880564,-2.764228524,-0.662258643,-0.176855706,1.163660539,-0.117809862,0.002782017,-2.91E-04,-3.25E-04,-6.52E-05,-1.98E-04,-1.73E-06,-1.97E-04,9.41E-05,2.33E-04,30.23500745,1.007833582,1.731047494,-4.633234938,-5.286679979,-1.654908552,0.338344131,5.303724224,1.007833582,56.22328744,1.874109581,3.218956734,-8.615698213,-9.830807171,-3.077373119,0.629165359,9.862501671,1.874109581,0.00592283,1.97E-04,3.39E-04,-9.08E-04,-0.001035624,-3.24E-04,6.63E-05,0.001038963,1.97E-04,0.251344254,0.008378142,0.014390234,-0.03851618,-0.043948282,-0.01375729,0.002812662,0.044089971,0.008378142,1.365305978,0.045510199,0.078167981,-0.209220499,-0.238727766,-0.074729816,0.015278424,0.239497424,0.045510199,0.225791999,-0.037423944,0.014898961,-0.014123341,-0.032520336,-0.007525666,-0.00252651,0.029091513,-0.006929992,-0.104506068,-0.116834642,-0.023420985,-0.07109427,-6.21E-04,-0.070767873,0.033808202,0.083775026,0.033333333,0.057253086,-0.153240741,-0.174852941,-0.054734848,0.011190476,0.175416667,0.033333333,0.033333333,0.057253086,-0.153240741,-0.174852941,-0.054734848,0.011190476,0.175416667,0.033333333,0.033333333,0.057253086,-0.153240741,-0.174852941,-0.054734848,0.011190476,0.175416667,0.033333333,0.033333333,0.057253086,-0.153240741,-0.174852941,-0.054734848,0.011190476,0.175416667,0.033333333,0.033333333,0.057253086,-0.153240741,-0.174852941,-0.054734848,0.011190476,0.175416667,0.033333333,-0.165745215,0.065985335,-0.062550229,-0.144027847,-0.033330084,-0.011189547,0.128842092,-0.030691929,1.083488981,0.98043659,0.945385748,0.952453596,0.936207747,1.068612324,1.117147813,1.245756124,0.96875,0.93287037,1.130208333,1.139705882,1.012784091,0.941071429,0.775,0.911764706,0.96875,0.93287037,1.130208333,1.139705882,1.012784091,0.941071429,0.775,0.911764706,0.96875,0.93287037,1.130208333,1.139705882,1.012784091,0.941071429,0.775,0.911764706,0.96875,0.93287037,1.130208333,1.139705882,1.012784091,0.941071429,0.775,0.911764706,0.96875,0.93287037,1.130208333,1.139705882,1.012784091,0.941071429,0.775,0.911764706,1.199853581,0.844961488,0.960709638,1.121570385,1.025836762,1.006867165,0.857197721,1.008467907,76.41172812,38.20586406,57.10632614,76.41172812,5.094115208,38.20586406,-2.13E-14,3.89E-16,2.59E-17,-53.2260564,4000044.952,266669.6634,22.80272424,76.41172812,38.20586406,57.10632614,76.41172812,5.094115208,38.20586406,-2.13E-14,3.89E-16,2.59E-17,-53.2260564,4000044.952,266669.6634,22.80272424,76.41172812,38.20586406,57.10632614,76.41172812,5.094115208,38.20586406,-2.13E-14,3.89E-16,2.59E-17,-53.2260564,4000044.952,266669.6634,22.80272424,76.41172812,38.20586406,57.10632614,76.41172812,5.094115208,38.20586406,-2.13E-14,3.89E-16,2.59E-17,-53.2260564,4000044.952,266669.6634,22.80272424,76.41172812,38.20586406,57.10632614,76.41172812,5.094115208,38.20586406,-2.13E-14,3.89E-16,2.59E-17,-53.2260564,4000044.952,266669.6634,22.80272424,76.41172812,38.20586406,57.10632614,76.41172812,5.094115208,38.20586406,-2.13E-14,3.89E-16,2.59E-17,-53.2260564,4000044.952,266669.6634,22.80272424,102.1284356,50.51201775,78.19484617,102.0469542,6.803130278,50.51201775,-0.244444444,1.78E-15,1.18E-16,-50.94631777,4000042.898,266669.5266,22.80272347,0,11.85,12.15018815,-0.209618828,0.090614936,6.754011719,11.43938004,16,32,26,20,4,6,0,0,0,12,17.491312,3.889191012,3.685571875,3.213304004,2.619181914,2.619181914,2.504002052,2.448068523,2.333552793,2.051557082,1.887024474,1.618558422,1.249629723,1.082250302,1.082250302,0.994974785,0.918665126,3.898745346,3.697839778,3.236560527,2.645815032,2.645815032,2.524959487,2.485937766,2.405454588,2.024290947,1.85438747,1.552847413,1.134540686,1.007167592,1.007167592,0.917964535,0.844854126,3.942649442,3.753641659,3.346664684,2.771820215,2.771820215,2.704236987,2.652363669,2.62904968,1.951845066,1.765197588,1.370116041,0.798620231,0.798620231,0.76031856,0.685210702,0.652258884,3.905876218,3.706968874,3.25412055,2.665925019,2.665925019,2.541019993,2.513901489,2.457539916,2.007685864,1.834252271,1.511761347,1.058262671,0.960278991,0.960278991,0.868467692,0.799840051,3.965373003,3.782107253,3.404666102,2.838982085,2.838078588,2.838078588,2.732140109,2.687104756,1.931200439,1.739187207,1.317582219,0.738564276,0.738564276,0.631337262,0.610422039,0.600771853,3.883991101,3.742461566,3.234406513,2.72815669,2.72815669,2.555664313,2.550551592,2.538985034,2.040792099,1.792709433,1.492414612,0.96464101,0.884675405,0.884675405,0.823088536,0.760994056,0,0,0,10,2,2,0,0,1,0,0,0,0.204124145,0.102062073,0,0,0,0.06415003,0.032075015,1.199358737,0.166666667,0.622008468,0.166666667,0.916666667,0.125,0.333333333,0.083333333,2.911570849,4.103001927,5.200784411,1.763817295,2.03269207,2.100450688,10.72576835,7.210343431,6.491234937,5.314741114,4.026544559,3.037023368,1.448141081,0.997503941,0.715051223,0.450646464,0.295056134,0.189812183,0.125829517,0.08436176,0.051719324,0.035625141,9.273502692,5.321367205,4.357050808,2.99095381,1.876305705,1.169586605,0.508594474,0.288675135,0.618233513,0.33258545,0.198047764,0.106819779,0.058634553,0.032488517,0.018164088,0.010309826,19.33462243,30.10269483,28.80392157,29.08,21.38843593,231.424903,0.623697498,0.971054672,0.92915876,0.938064516,0.689949546,7.465319451,3.7798,64.079,88.41065979,124.8080991,176.8213196,11.78808797,88.41065979,2.22E-16,1.48E-17,-54.06548008,4000049.405,266669.9604,22.80272591,192,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,2,0,0,10,0,0,0,0,0,0,0,0,2,0,0,0,0,10,0,0,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.97435185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.073611111,0,0.743888889,0,0,4.073611111,0,0,0,0,0,0,0,0,4.523148148,0,0,0,0,21.25916667,0,0,0,0,2.715185185,0,0.085833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.357592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.390972222,0,0.371944444,0,0,0.390972222,0,0,0,0,0,0,0,0,2.261574074,0,0,0,0,2.060092593,0,0,0,0,1.357592593,0,0.085833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.1875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.426111111,0,0.371944444,0,0,0.426111111,0,0,0,0,0,0,0,0,2.261574074,0,0,0,0,2.1875,0,0,0,0,1.357592593,0,0.085833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,28.58333333,1.905555556,0.426111111,2.261574074,0.131944444,0.085833333,8.874557037,1.164166667,0.261574074,3.56462963,1.164166667,0.261574074,3.56462963,7.5,0.5,0,0,0.49355,0.7,0.43953,0.43953,0.7,0.05401,0.05401,0,0,0.71429,0,0,0.13333,0.13333,0.06667,20,1.33333,8,0.53333,12,0.8,4,0.26667,0,0,10.16399,0.6776,21.43857,11.27459,0.75164,3.32855,0.2219,7.21033,3.88178,0.25879,0.20367,0.01358,0.37567,0.02504,0.419354839,46,0,0,0,0,0,0,0.2,0.999249248,2.181669314,2.494879183,3.114855988,3.421622923,3.421622923,30.97672669,67.63174872,77.34125466,96.56053561,106.0703106,106.0703106,0.201697548,0.440367958,0.503589084,0.628730836,0.690651462,0.690651462,3.954947062,2.772526997,2.459317128,1.839340323,1.532573387,1.532573387,0.190408356,0.415720169,0.475402752,0.593540208,0.651995081,0.651995081,6.577472113,15.35164552,19.11016395,23.10702792,23.41619532,23.41619532,53.48828937,46.69054093,40.75494155,32.44140504,31.22069338,31.22069338,11.484375,4.888429752,2.571428571,3,6,3,3.11,1.7469,0.5,5.36492304,2,2,13.99526164,8.079390911,3.701071725,0.5,2,0,0,0,0,0,0,0,0,0,0,0.003,0.232,0.231,0.9,1.267,7.153,22,28,32,36,28,28,20,16,12,253,3.135494216,3.688879454,4.226833745,4.711779921,5.192262165,5.029620594,5.364222141,5.432902891,5.614495784,5.731873777,7.382036854,6.347270257,0.5,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.125,4,0.25,1,4,8,1,3,2.222222222,1.375,0.497777778,0.263888889,0.078367347,0.048611111,0,0,0,0.1875,0.101010101,0.0625,0.027654321,0.018849206,0.009795918,0.012152778,0,0,0,0.419462324,48.36957397,71.12199243,96.73914793,6.449276529,48.36957397,9.16E-16,6.11E-17,-51.93988105,4000047.605,266669.8403,22.80272523,0,205.6645585,4.906890596,4.343805422,5.176149733,6.042632834,6.900730664,7.775275846,8.642062173,9.519955154,10.39037903,11.26974501,101.0607359,3.496507561,0,4.795790546,0,6.329720906,0,7.957527402,0,9.631219406,9.842462851,196.1252005,6.326619371,30.15919468,2.010612978,0,0,0,352,22,5.364,76,1.247080196,2.204752215,3.050732261,3.796722205,4.448926843,5.358424593,6.120977842,6.953103162,7.853976106,8.635743598,106.8591283,153.402311,161.9040628,156.815958,144.1229251,127.2183812,125.2347822,102.0698812,36.67331636,8.774468183,357.4812381,537.2845068,626.3157645,651.0354745,652.1286292,639.1523033,649.060865,656.0823624,460.5462069,268.431247,9.16987904,16.02416529,22.01498494,27.10386584,31.51868629,37.57464177,42.64270964,48.3911423,53.79932835,58.01893248,2.551929101,3.954023108,4.837696548,5.234262178,5.464965967,5.647069842,5.883892027,6.290383884,5.222546587,3.839563047,172.6756384,318.3663362,450.2842951,581.611921,698.7149812,870.2393527,1015.564346,1155.132644,1370.082894,1596.90143,3.447814854,5.359944616,6.95397362,8.114922345,9.023215181,9.855120592,10.52672895,11.53242886,10.44103876,8.635743598,0.523220735,0.815885023,1.00707875,1.098282914,1.155498152,1.205907016,1.263191355,1.361130043,1.160226974,0.884300144,322.5837079,251.1787365,16.12058029,125.8575031,-97.99852829,-7.514926265,196.7262047,349.1772648,23.63550655,0.719344476,0.560115195,0.035948035,0.280655524,-0.218531495,-0.016757885,144.6598286,112.6388968,7.229132545,56.43969112,-43.9465787,-3.370002635,0.079697457,0.079292731,1.107208584,1.673238784,448.441211,0,1,0,1207.92837,34.75526392,10.64993753,1365.04407,36.94650281,11.09299688,2382.019441,48.80593654,13.35513966,1.49767364,1.49767364,1262.022404,1124.036613,433.4608271,1.122759161,2.911502783,2.593167693,5.219786756,5.18814759,8.796565811,0.695511868,5.281500395,6.403612476,7.761270777,18.56019963,6.611781332,14.34658,11.67295036,14.04175333,12.88602486,14.51537281,12.5590974,3.624305343,5.220248546,0.723024264,0.242216625,0.161697622,0.0291747,4.45E-22,1.51E-63,1.05E-126,1.46E-211,4.013103E-318,0,0,0,0,0,0,0,0,0.44549589,6.185588714,0.619709871,9.541549113,2.252669062,3.303262412,2.918183956,2.914734644,4.556264339,1.06105854,3.631876905,0.047277706,0.472626743,0.005403758,0.020327563,0.00113885,2.05E-04,3.14E-24,1.06E-65,7.38E-129,1.03E-213,2.8265E-320,0,0,0,0,0,0,0,0,1.432621799,6.200157864,2.017393413,10.63177372,2.804939992,4.998846413,4.470422864,4.614927034,5.826331863,3.528249907,4.950021904,0.321747444,1.021644485,0.053866036,0.065619851,0.011867691,0.002141258,3.27E-23,1.11E-64,7.69E-128,1.07E-212,2.94537E-319,0,0,0,0,0,0,0,0,4.985441645,6.379675508,7.30282184,17.74252063,6.225517333,13.47290447,11.05392695,13.1585398,12.22388736,13.59296556,11.83424866,3.244118542,4.780994599,0.644416046,0.228632736,0.14406967,0.025994133,3.97E-22,1.34E-63,9.33E-127,1.30E-211,3.575602E-318,0,0,0,0,0,0,0,0,2.110254485,6.219047197,2.994692789,11.60306945,3.284272401,6.328669366,5.605701875,5.951618119,6.825932899,5.30477624,6.004562183,0.645462505,1.523256347,0.11623785,0.096711587,0.02577821,0.004651098,7.10E-23,2.40E-64,1.67E-127,2.33E-212,6.3978E-319,0,0,0,0,0,0,0,0,6.377674985,6.504264117,9.482826001,21.88922453,8.177515372,17.80578031,14.05922713,17.54128017,15.51042857,18.04274779,15.44536719,5.215000678,7.015341358,1.053447112,0.292511653,0.235820785,0.042548559,6.50E-22,2.20E-63,1.53E-126,2.13E-211,5.85273E-318,0,0,0,0,0,0,0,0,2.909925699,4.811229669,3.907152549,11.40657047,3.899432069,7.807389072,7.053601568,7.265663953,8.308203986,7.317027287,7.468829366,1.075799234,2.189892697,0.200233216,0.133410716,0.04453079,0.00803458,1.23E-22,4.15E-64,2.89E-127,4.02E-212,1.10519E-318,0,0,0,0,0,0,0,0,5.509424319,2.379886703,1.427788669,0.591323964,0.255432139,0.451082778,0.505882992,0.57289175,9.31709969,24.37607456,52.41406182,0.386985945,1.52985752,4.977873016,1.487305726,0.753258661,0.689605345,0.206042616,0.372926851,0.197731083,0.161251918,7.218437403,12.27357092,25.06884849,0.534408018,0.731909853,5.149718695,1.779439875,0.976120958,0.65142778,0.225095124,0.397196192,0.282967529,0.270757573,7.905279528,15.92731169,32.77738767,0.47714167,0.950921294,5.491441646,2.350223035,1.405683908,0.593839585,0.254151016,0.448283478,0.493364463,0.55579028,9.247348589,23.92901451,51.31827796,0.390759377,1.497438222,5.240665798,1.932666915,1.092213622,0.634037435,0.233822041,0.410414016,0.333754596,0.33850846,8.265546335,17.9632731,37.29126295,0.451056153,1.082677073,5.567975783,2.47621402,1.499416437,0.583424718,0.259463138,0.460278022,0.547612913,0.629811128,9.54360624,25.84909011,56.06590003,0.375137078,1.637702063,5.503228211,2.350881822,1.4062842,0.594275802,0.253864119,0.45023015,0.493642683,0.556332118,9.260394232,23.98255,51.43666052,0.391413703,1.50020495 +UMLYSI0038,L,"1,4-dimethylnaphthalene",CC1=CC=C(C2=CC=CC=C12)C,aromatic,C12H12,571-58-4,11304,PubChem,,711.8,0,2.8406,8.06900836,57.7168,29.121516,10,11,24,12,12,0,12,0,0,0,0,0,0,0,0,0,1743.36222,2020.718629,2820.778146,2939.816898,2175.153132,1123.988381,234.184608,17.273088,0,5455.207754,6882.559119,9875.065793,10960.26447,9461.390966,6255.412399,2562.599006,528.4236553,0,171.10776,183.438292,304.157448,361.89684,400.468656,366.243764,235.6128,114.213888,0,38.80215486,49.61823172,72.91167501,83.1578923,77.1112984,56.24711149,27.15760406,7.558419382,0,3740.544097,3485.797202,6148.010181,7309.400354,8513.285207,8307.658088,5714.888291,3143.600084,0,55.11111111,68.33333333,100.2222222,118.7777778,120.6666667,96.33333333,52,17,0,72.6400925,80.82874516,67.16138443,58.79633796,38.84202021,21.61516117,6.887782588,1.016064,0,227.3003231,275.3023648,235.1206141,219.2052894,168.9534101,120.2963923,75.37055899,31.08374443,0,7.12949,7.33753168,7.241844,7.2379368,7.151226,7.043149308,6.929788235,6.718464,0,1.616756452,1.984729269,1.735992262,1.663157846,1.376987471,1.081675221,0.798753061,0.444612905,0,155.8560041,139.4318881,146.3811948,146.1880071,152.0229501,159.7626555,168.0849497,184.917652,0,2.296296296,2.733333333,2.386243386,2.375555556,2.154761905,1.852564103,1.529411765,1,0,0.054877471,-0.002942033,-0.010487076,0.002195474,-0.016742575,-0.024154411,-2.09E-04,0.02490097,0,726.396054,30.26650225,181.5990135,-181.5990135,-484.264036,-363.198027,-60.5330045,514.5305383,0,1350.764481,56.28185336,337.6911202,-337.6911202,-900.5096538,-675.3822403,-112.5637067,956.7915071,0,0.142296,0.005929,0.035574,-0.035574,-0.094864,-0.071148,-0.011858,0.100793,0,6.038545709,0.251606071,1.509636427,-1.509636427,-4.025697139,-3.019272855,-0.503212142,4.277303211,0,32.80147613,1.366728172,8.200369033,-8.200369033,-21.86765075,-16.40073807,-2.733456344,23.23437893,0,5.037037037,-0.839506173,1.037037037,-0.308641975,-2.271604938,-2.209876543,-1.283950617,3.358024691,0,0.002286561,-1.18E-04,-2.50E-04,4.39E-05,-2.99E-04,-4.65E-04,-6.15E-06,0.001464763,0,30.26650225,1.21066009,4.323786036,-3.63198027,-8.647572071,-6.984577442,-1.780382485,30.26650225,0,56.28185336,2.251274134,8.040264766,-6.753822403,-16.08052953,-12.98812001,-3.310697256,56.28185336,0,0.005929,2.37E-04,8.47E-04,-7.11E-04,-0.001694,-0.001368231,-3.49E-04,0.005929,0,0.251606071,0.010064243,0.035943724,-0.030192729,-0.071887449,-0.05806294,-0.014800357,0.251606071,0,1.366728172,0.054669127,0.195246882,-0.164007381,-0.390493763,-0.315398809,-0.080395775,1.366728172,0,0.209876543,-0.033580247,0.024691358,-0.00617284,-0.040564374,-0.042497626,-0.037763253,0.197530864,0,-0.051466501,-0.109199912,0.01920328,-0.130752911,-0.203146932,-0.002689432,0.640596411,0,0.04,0.142857143,-0.12,-0.285714286,-0.230769231,-0.058823529,1,0,0.04,0.142857143,-0.12,-0.285714286,-0.230769231,-0.058823529,1,0,0.04,0.142857143,-0.12,-0.285714286,-0.230769231,-0.058823529,1,0,0.04,0.142857143,-0.12,-0.285714286,-0.230769231,-0.058823529,1,0,0.04,0.142857143,-0.12,-0.285714286,-0.230769231,-0.058823529,1,0,-0.16,0.117647059,-0.029411765,-0.193277311,-0.202488688,-0.179930796,0.941176471,0,0.989948754,0.97458004,0.936466487,1.105263226,1.249500122,1.03449699,0.085526499,0,0.92,0.821428571,1.073333333,1.232142857,1.179487179,1.014705882,0,0,0.92,0.821428571,1.073333333,1.232142857,1.179487179,1.014705882,0,0,0.92,0.821428571,1.073333333,1.232142857,1.179487179,1.014705882,0,0,0.92,0.821428571,1.073333333,1.232142857,1.179487179,1.014705882,0,0,0.92,0.821428571,1.073333333,1.232142857,1.179487179,1.014705882,0,0,1.156764706,0.74894958,0.923382353,1.168723739,1.209841629,1.208693772,0,0,42.97980767,21.48990384,28.88120703,42.97980767,3.58165064,21.48990384,-1.78E-14,0.040580282,0.00338169,-3.845367587,93.50582159,7.792151799,5.445628437,42.97980767,21.48990384,28.88120703,42.97980767,3.58165064,21.48990384,-1.78E-14,0.040580282,0.00338169,-3.845367587,93.50582159,7.792151799,5.445628437,42.97980767,21.48990384,28.88120703,42.97980767,3.58165064,21.48990384,-1.78E-14,0.040580282,0.00338169,-3.845367587,93.50582159,7.792151799,5.445628437,42.97980767,21.48990384,28.88120703,42.97980767,3.58165064,21.48990384,-1.78E-14,0.040580282,0.00338169,-3.845367587,93.50582159,7.792151799,5.445628437,42.97980767,21.48990384,28.88120703,42.97980767,3.58165064,21.48990384,-1.78E-14,0.040580282,0.00338169,-3.845367587,93.50582159,7.792151799,5.445628437,42.97980767,21.48990384,28.88120703,42.97980767,3.58165064,21.48990384,-1.78E-14,0.040580282,0.00338169,-3.845367587,93.50582159,7.792151799,5.445628437,47.85587398,23.44471236,32.1626847,47.81142954,3.984285795,23.44471236,-0.088888889,0.075546146,0.006295512,-3.099613929,71.37329731,5.947774776,5.121508575,0,11.85,12.1501417,-0.185512319,0.117148209,6.501375,9.821507326,13,25,20,14,2,5,0,0,0,11,13.118484,4.012102497,3.341951144,3.102142205,2.512930405,2.506606849,2.365249307,1.707727133,0.974946052,2.125437818,1.633899792,1.528829227,1.196917467,1.048614666,0.846673523,0.515752669,0.242963499,4.018584944,3.358827728,3.123913627,2.548568753,2.533642911,2.418502539,1.765809298,1.071071313,2.105846357,1.584882028,1.455072822,1.095918472,0.971604153,0.780250742,0.400609061,0.076301967,4.048618039,3.437303637,3.232675029,2.726056448,2.709016035,2.578639271,2.011602195,1.485825426,2.054966903,1.453879059,1.256932346,0.772229639,0.741191478,0.602386103,0.059240601,0.436126583,4.023434398,3.371478089,3.14064278,2.575131614,2.557295722,2.45405008,1.808031684,1.142162235,2.094039116,1.554888957,1.40944571,1.029016927,0.92231005,0.739706753,0.327072261,0.032874451,4.064348304,3.478315502,3.293261153,2.838709943,2.78734263,2.636166299,2.127318682,1.672487022,2.040743504,1.41672022,1.203089575,0.668628573,0.668122661,0.547037439,0.049410344,0.616056299,3.996647755,3.418308423,3.141457136,2.637301996,2.617833767,2.477690594,1.845021364,1.219337001,2.117814515,1.496840174,1.375621166,0.934555339,0.851942874,0.718684049,0.266816327,0.125442364,0,0,0,6,4,2,0,0,0,0,0,0,0.138888889,0.285903576,0,0,0,0.048611111,0.093500706,0.743570048,0,0.248005645,0,0.433012702,0,0.104166667,0,1.94548283,3.054889404,4.438166043,0.944177252,1.239298242,1.55502117,8.552041764,5.7876937,5.144084309,4.414012092,3.555176052,2.933179445,1.535016741,0.889408082,0.712670147,0.445207208,0.285782462,0.18391717,0.118505868,0.081477207,0.054822026,0.03705867,7.464101615,4.238033872,3.244942519,2.360078137,1.600409353,1.131677252,0.486265375,0.23172481,0.622008468,0.326002606,0.180274584,0.098336589,0.053346978,0.031435479,0.017366621,0.0096552,15.25096682,23.32702112,22.35294118,22.56,16.79132695,178.6256982,0.635456951,0.971959213,0.931372549,0.94,0.699638623,7.442737425,2.89584,51.228,86.16164294,103.6138301,172.3232859,14.36027382,86.16164294,4.44E-16,3.70E-17,-42.42060745,86.26995568,7.189162973,5.348977679,108,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,6,0,0,0,0,0,0,0,0,2,0,0,0,0,6,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.35759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.528055556,0,0,0,0,2.528055556,0,0,0,0,0,0,0,0,4.309074074,0,0,0,0,12.89703704,0,0,0,0,2.715185185,2.74537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.357592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0,0.406597222,0,0,0,0,0,0,0,0,2.154537037,0,0,0,0,2.092037037,0,0,0,0,1.357592593,1.372685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.178240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.433055556,0,0,0,0,0.433055556,0,0,0,0,0,0,0,0,2.154537037,0,0,0,0,2.178240741,0,0,0,0,1.357592593,1.372685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.66666667,1.888888889,0.433055556,2.178240741,0.1775,1.357592593,7.177724815,0.309074074,0.178240741,2.412222222,0.309074074,0.178240741,2.412222222,6,0.5,0,0,0.5,0.7,0.44118,0.44118,0.7,0.05882,0.05882,0,0,0.71429,0,0,0.16667,0.33333,0,16.5,1.375,6.5,0.54167,10,0.83333,3.5,0.29167,0,0,7.02882,0.58574,15.35691,8.32808,0.69401,2.46842,0.2057,5.78767,3.31925,0.2766,0.12633,0.01053,0.29833,0.02486,0.416666667,37,0,0,0,0,0,0,0.166666667,1,2.396240625,2.79248125,3.188721876,3.188721876,3.188721876,24,57.509775,67.01955001,76.52932501,76.52932501,76.52932501,0.218104292,0.522630365,0.609052146,0.695473927,0.695473927,0.695473927,3.584962501,2.188721876,1.79248125,1.396240625,1.396240625,1.396240625,0.202809424,0.485980181,0.566341514,0.646702847,0.646702847,0.646702847,6.503912516,17.76271253,22.51760004,22.91694126,22.91694126,22.91694126,42,34.7548875,27.509775,26.30225625,26.30225625,26.30225625,8.591715976,3.395061728,1.5625,0,10,0,2.78,1.3672,0.2,3.570980654,3.614408014,0,6.120463943,11.10631515,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0.003,0.189,0.172,0.871,1.408,6.322,18,24,30,36,28,24,20,19,6,230,2.970414466,3.650658241,4.320815904,4.937168142,5.504060403,5.641796249,5.901266279,6.136257968,6.450754248,5.445271454,7.822421254,10.84757133,0.4,2,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,3,0,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.153846154,0,3,5,0.666666667,2,1.777777778,1,0.666666667,0.125,0,0,0,0,0,0.153846154,0.098765432,0.055555556,0.055555556,0.025,0,0,0,0,0,0.388722697,30.02861723,41.01805106,60.05723445,5.004769538,30.02861723,0.027271324,0.00227261,-4.322303452,110.3420069,9.195167238,5.644301635,0,156.4130633,4.584962501,4.143134726,4.990432587,5.860786223,6.727431725,7.600402335,8.471149253,9.344084242,10.21592321,11.08862916,93.44197346,3.295836866,0,4.59511985,0,6.12905021,0,7.771067086,0,9.465525079,9.672248824,156.0939004,6.503912516,24.3500965,2.029174708,0,0,0,176,18,4.008,62,1.252780295,2.202872615,3.11679775,3.973253333,4.800526941,5.869994495,6.609841823,0,0,0,110.508287,160.3922801,192.6201969,167.6920267,110.4167004,40.47439261,6.716022322,0,0,0,366.5001367,550.1015861,708.3774086,707.9599188,605.041516,442.750196,205.458634,0,0,0,9.221906217,16.01211208,22.60981056,28.49067789,33.90777472,40.67937165,44.40798434,0,0,0,2.603661965,4.010156345,5.332449792,5.690329766,5.386859026,4.691278371,2.938820974,0,0,0,172.8352187,318.3991549,452.0920918,598.5743532,759.4646474,986.5340391,1222.27643,0,0,0,3.515109231,5.441816055,7.569576365,8.809383667,9.164470606,8.981528879,6.609841823,0,0,0,0.533325316,0.826129429,1.104712496,1.193088013,1.149674646,1.029234567,0.676847803,0,0,0,313.8012547,169.1433726,13.89227915,209.9511971,-113.1667036,-10.4008106,103.8500576,282.3100762,24.29308975,0.599140402,0.322945262,0.026524514,0.400859598,-0.216069067,-0.019858257,164.3541765,88.58925613,7.276115267,109.9624543,-59.27133846,-5.447450051,0.115711439,0.113462848,3.765427623,4.121332847,523.7524518,0,1,0,977.8975263,31.27135313,9.925775523,1095.415833,33.09706683,10.30844136,1795.333132,42.37137161,12.15388199,1.065371055,1.02243704,837.4226804,438.0586427,406.1062722,1.911667979,2.062077682,1.078679825,4.619692234,4.534786738,7.207987677,0.589487686,3.836901901,4.605025808,5.499386181,15.10063602,2.324218451,5.921014723,6.303814894,8.372613102,9.549491757,0.270877228,12.38937257,2.548194421,1.371535391,1.98E-04,5.72E-28,3.19E-73,3.42E-140,7.10E-229,0,0,0,0,0,0,0,0,0,0,0,0,0.322137681,4.604903566,0.434223815,9.214688429,1.149403111,0.553228348,1.24300511,0.531503395,3.924148594,0.024647156,0.628944487,0.017987459,0.009659836,1.40E-06,4.03E-30,2.24E-75,2.41E-142,5.00E-231,0,0,0,0,0,0,0,0,0,0,0,0,1.03957599,4.604912062,1.419578616,9.989560118,1.389207266,1.313425913,2.267837789,1.787359915,4.953986872,0.074656343,2.298311178,0.187126636,0.100662938,1.46E-05,4.20E-29,2.34E-74,2.51E-141,5.21E-230,0,0,0,0,0,0,0,0,0,0,0,0,3.621730554,4.605012503,5.172124191,14.58939418,2.25229685,5.473720244,5.991099636,7.770649215,9.163221262,0.255714185,11.41073771,2.270423113,1.222013341,1.77E-04,5.10E-28,2.84E-73,3.05E-140,6.32E-229,0,0,0,0,0,0,0,0,0,0,0,0,1.532074898,4.604922781,2.110410135,10.6481444,1.55382551,1.934889281,2.973784034,2.75180901,5.696098189,0.109060794,3.661383752,0.406364847,0.218653352,3.16E-05,9.12E-29,5.08E-74,5.46E-141,1.13E-229,0,0,0,0,0,0,0,0,0,0,0,0,4.633584549,4.605081681,6.730592522,17.16487956,2.590512051,7.711899852,7.464947052,10.73986447,11.02724164,0.327120221,16.3065172,3.716170576,2.000255469,2.89E-04,8.34E-28,4.65E-73,5.00E-140,1.04E-228,0,0,0,0,0,0,0,0,0,0,0,0,2.150864625,4.130113727,2.786815435,11.09780969,1.87806065,2.467786479,3.744452245,3.706440073,7.059795435,0.152078338,5.442636963,0.714346802,0.384409573,5.56E-05,1.60E-28,8.93E-74,9.60E-141,1.99E-229,0,0,0,0,0,0,0,0,0,0,0,0,4.469687225,3.751924308,0.139364857,0.534589146,0.448742364,0.541701346,0.469690577,0.166672653,8.360976389,17.91573186,28.61384688,0.474997264,1.178064576,2.792083484,2.580048139,0.021581953,0.517655127,0.478343557,0.258999536,0.182994782,0.003997046,5.393713577,7.319650892,12.8688346,0.493998026,0.445991363,3.199192005,3.088248825,0.059416148,0.504059256,0.486579237,0.287154576,0.324115433,0.030294701,6.346856978,10.25347647,17.1873591,0.485957739,0.64156471,4.405447657,3.718894916,0.135344256,0.533367396,0.450246479,0.526265408,0.461502998,0.157194541,8.25968683,17.48298,27.9600655,0.475420813,1.144962947,3.515294949,3.258870404,0.079534846,0.512904686,0.475490656,0.33663076,0.356038499,0.054284097,6.853700199,11.99467287,19.75951557,0.482593013,0.746953356,4.67915609,3.859575723,0.152472985,0.538378303,0.444078331,0.593604186,0.496898634,0.199500331,8.691204798,19.36148317,30.80628256,0.473684951,1.290003151,4.406153697,3.72529539,0.135141727,0.533007354,0.450644706,0.526441876,0.463107601,0.156724441,8.266590813,17.51312213,27.99795953,0.475478091,1.146273918 +UMLYSI0039,L,2-ethylnaphthalene,CCC1=CC2=CC=CC=C2C=C1,aromatic,C12H12,939-27-5,13652,PubChem,,701.3,0,2.0591,4.23989281,58.2832,29.121516,10,11,24,12,12,0,12,0,0,0,0,0,0,0,0,0,1743.36222,2020.718629,2710.803161,2645.277952,1827.105514,1147.181622,635.650347,285.570601,56.556864,5455.207754,6882.559119,9733.591251,10184.99651,8071.757825,5531.563137,3386.090267,1934.289637,707.6164209,171.10776,183.438292,304.5329,380.00896,356.517928,302.60796,196.969836,139.58218,82.21824,38.80215486,49.61823172,72.57418213,79.13422542,66.41038975,47.90056839,30.1849251,18.59479065,8.011080479,3740.544097,3485.797202,6110.748164,8012.195006,7679.001408,6903.226967,4494.6027,3290.483597,2091.831407,54.58333333,67.27777778,100.6111111,116.9444444,104,76.83333333,49.66666667,33.5,16,72.6400925,80.82874516,64.5429324,49.91090475,36.54211028,26.67864237,22.70179811,14.27853005,4.713072,227.3003231,275.3023648,231.7521726,192.1697456,161.4351565,128.6410032,120.9317953,96.71448186,58.96803508,7.12949,7.33753168,7.250783333,7.169980377,7.13035856,7.037394419,7.034637,6.979109,6.85152,1.616756452,1.984729269,1.727956717,1.493098593,1.328207795,1.113966707,1.078033039,0.929739532,0.66759004,155.8560041,139.4318881,145.4940039,151.1734907,153.5800282,160.540162,160.521525,164.5241799,174.3192839,2.274305556,2.691111111,2.395502646,2.206498952,2.08,1.786821705,1.773809524,1.675,1.333333333,0.06031452,-0.004627152,-0.013623637,-0.002894845,-0.023239354,0.004639025,0.002511809,-0.001689996,0.004451051,726.396054,30.26650225,-5.47E-13,-30.26650225,-363.198027,-30.26650225,-121.066009,-60.5330045,121.066009,1350.764481,56.28185336,3.69E-13,-56.28185336,-675.3822403,-56.28185336,-225.1274134,-112.5637067,225.1274134,0.142296,0.005929,1.78E-15,-0.005929,-0.071148,-0.005929,-0.023716,-0.011858,0.023716,6.038545709,0.251606071,1.02E-14,-0.251606071,-3.019272855,-0.251606071,-1.006424285,-0.503212142,1.006424285,32.80147613,1.366728172,-1.11E-13,-1.366728172,-16.40073807,-1.366728172,-5.466912688,-2.733456344,5.466912688,4.989583333,-0.374565972,0.285590278,0.776475694,-2.794270833,-0.342447917,-0.526041667,-0.640625,0.546875,0.002513105,-1.85E-04,-3.24E-04,-5.46E-05,-4.65E-04,1.08E-04,8.97E-05,-8.45E-05,3.71E-04,30.26650225,1.21066009,-1.30E-14,-0.57106608,-7.26396054,-0.703872145,-4.323786036,-3.026650225,10.08883408,56.28185336,2.251274134,8.80E-15,-1.061921762,-13.50764481,-1.308880311,-8.040264766,-5.628185336,18.76061779,0.005929,2.37E-04,4.23E-17,-1.12E-04,-0.00142296,-1.38E-04,-8.47E-04,-5.93E-04,0.001976333,0.251606071,0.010064243,2.43E-16,-0.004747284,-0.060385457,-0.005851304,-0.035943724,-0.025160607,0.08386869,1.366728172,0.054669127,-2.63E-15,-0.025787324,-0.328014761,-0.031784376,-0.195246882,-0.136672817,0.455576057,0.207899306,-0.014982639,0.006799769,0.014650485,-0.055885417,-0.007963905,-0.018787202,-0.03203125,0.045572917,-0.073648363,-0.129072329,-0.021733958,-0.184945344,0.04292869,0.035695871,-0.03362367,0.147594663,0.04,-4.30E-16,-0.018867925,-0.24,-0.023255814,-0.142857143,-0.1,0.333333333,0.04,1.56E-16,-0.018867925,-0.24,-0.023255814,-0.142857143,-0.1,0.333333333,0.04,7.14E-15,-0.018867925,-0.24,-0.023255814,-0.142857143,-0.1,0.333333333,0.04,9.67E-16,-0.018867925,-0.24,-0.023255814,-0.142857143,-0.1,0.333333333,0.04,-1.93E-15,-0.018867925,-0.24,-0.023255814,-0.142857143,-0.1,0.333333333,-0.072066806,0.032707029,0.070469138,-0.268810021,-0.038306549,-0.090366836,-0.154070981,0.219206681,1.019115014,0.980003447,0.94916786,1.235965327,0.969611221,0.924875797,0.988682006,0.753917862,0.92,0.958333333,0.976415094,1.188333333,0.980620155,1.095238095,1.054166667,0.638888889,0.92,0.958333333,0.976415094,1.188333333,0.980620155,1.095238095,1.054166667,0.638888889,0.92,0.958333333,0.976415094,1.188333333,0.980620155,1.095238095,1.054166667,0.638888889,0.92,0.958333333,0.976415094,1.188333333,0.980620155,1.095238095,1.054166667,0.638888889,0.92,0.958333333,0.976415094,1.188333333,0.980620155,1.095238095,1.054166667,0.638888889,1.055086987,0.867349306,0.874568349,1.268921364,0.969267369,1.031215827,1.181210856,0.768267223,47.81002025,23.90501012,35.15288181,47.81002025,3.984168354,23.90501012,2.49E-14,0.258125069,0.021510422,-1.625173258,83.76571055,6.980475879,5.31362849,47.81002025,23.90501012,35.15288181,47.81002025,3.984168354,23.90501012,2.49E-14,0.258125069,0.021510422,-1.625173258,83.76571055,6.980475879,5.31362849,47.81002025,23.90501012,35.15288181,47.81002025,3.984168354,23.90501012,2.49E-14,0.258125069,0.021510422,-1.625173258,83.76571055,6.980475879,5.31362849,47.81002025,23.90501012,35.15288181,47.81002025,3.984168354,23.90501012,2.49E-14,0.258125069,0.021510422,-1.625173258,83.76571055,6.980475879,5.31362849,47.81002025,23.90501012,35.15288181,47.81002025,3.984168354,23.90501012,2.49E-14,0.258125069,0.021510422,-1.625173258,83.76571055,6.980475879,5.31362849,47.81002025,23.90501012,35.15288181,47.81002025,3.984168354,23.90501012,2.49E-14,0.258125069,0.021510422,-1.625173258,83.76571055,6.980475879,5.31362849,53.91369624,26.55331499,39.4061574,53.85119624,4.487599686,26.55331499,-0.125,0.393724354,0.032810363,-1.118525067,106.6852025,8.890433546,5.603858959,0,11.85,12.1501417,-0.205896322,0.094288659,5.61148721,9.337324329,13,25,20,14,2,5,0,0,0,11,13.118484,3.991602074,3.407641206,2.977030597,2.820455239,2.420697,2.206239338,1.594860171,1.123697914,2.116116865,1.728025248,1.44752053,1.195882847,0.903134491,0.847724226,0.641796924,0.361867009,3.998988102,3.425121218,3.005739278,2.844998923,2.446813793,2.244181371,1.682897992,1.216810964,2.09523509,1.672189369,1.379882881,1.13610542,0.811599792,0.753040459,0.521902674,0.20888517,4.032762844,3.508240605,3.143448744,2.951336963,2.567367518,2.424805154,2.041987487,1.62184673,2.039811511,1.526189338,1.172196393,0.972696826,0.593162645,0.463239997,0.107426613,0.300878455,4.004490929,3.438313731,3.027663362,2.862932588,2.466266788,2.272910296,1.746441509,1.285752586,2.082533549,1.638231521,1.335820198,1.099237985,0.758458103,0.690551064,0.440668217,0.106363763,4.050170755,3.552892906,3.213771451,3.003782417,2.631701213,2.519646236,2.197856332,1.8073981,2.023976823,1.48614179,1.107322983,0.924404954,0.535615047,0.377057725,0.044164305,0.478430521,4.000701415,3.44947343,3.056185767,2.902075305,2.482112071,2.340067176,1.782693268,1.385601933,2.085136428,1.630612925,1.271564618,1.042992444,0.726277788,0.602805364,0.372327209,0.011319697,0,0,0,7,3,1,1,0,0,0,0,0,0.151374715,0.262188697,0,0,0,0.051834039,0.076863138,0.537457479,0,0.083333333,0,0.284517797,0,0.027777778,0,1.387495799,2.056519751,2.721373273,0.623272401,0.765625485,0.851828654,8.388905057,5.898178148,4.891942585,4.225635383,3.341370826,2.787943437,1.679304123,1.05952882,0.699075421,0.453706011,0.287761329,0.192074336,0.123754475,0.081998336,0.057907039,0.040751108,7.248558666,4.376044313,3.035056364,2.222124991,1.458702605,1.026932181,0.539870637,0.286631006,0.604046555,0.336618793,0.178532727,0.101005681,0.054026022,0.030203888,0.018616229,0.011024269,15.25096682,23.32702112,22.35294118,22.56,16.79132695,178.6256982,0.635456951,0.971959213,0.931372549,0.94,0.699638623,7.442737425,3.4022,53.326,85.98439716,109.1971306,171.9687943,14.33073286,85.98439716,0.090172102,0.007514342,-2.887242232,132.2334918,11.01945765,5.861483084,135,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,2,0,0,7,0,0,0,0,0,0,0,0,1,0,1,0,0,7,0,0,0,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.19946334,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.987523739,0,0.695323484,0,0,2.987523739,0,0,0,0,0,0,0,0,2.18462963,0,1.115907029,0,0,15.11589853,0,0,0,0,1.410833333,2.672731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.328425926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0.307026998,0,0,0.406597222,0,0,0,0,0,0,0,0,2.18462963,0,1.115907029,0,0,2.077333711,0,0,0,0,1.410833333,1.328425926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.440991709,0,0.388296485,0,0,0.440991709,0,0,0,0,0,0,0,0,2.18462963,0,1.115907029,0,0,2.259259259,0,0,0,0,1.410833333,1.344305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.5,1.875,0.440991709,2.259259259,0.159722222,1.115907029,7.176139829,0.384092971,0.259259259,2.601056311,0.384092971,0.259259259,2.601056311,6,0.5,0,0,0.5,0.7,0.44118,0.44118,0.7,0.05882,0.05882,0,0,0.71429,0,0,0.08333,0.25,0,16.5,1.375,6.5,0.54167,10,0.83333,3.5,0.29167,0,0,6.55128,0.54594,14.64363,8.09236,0.67436,2.70975,0.22581,5.89816,3.18841,0.2657,0.01584,0.00132,0.18784,0.01565,0.416666667,37,0,0,0,0,0,0,0.166666667,1,2.380270443,3.119910023,3.855388542,3.938721876,4.136842188,24,57.12649063,74.87784056,92.52932501,94.52932501,99.28421252,0.218104292,0.5191472,0.680465767,0.840876788,0.859052146,0.902263036,3.584962501,2.204692058,1.465052477,0.729573959,0.646240625,0.448120313,0.202809424,0.482741278,0.632747155,0.78190913,0.798809915,0.838990582,6.503912516,17.68171342,24.33387613,27.25288293,26.99112437,28.45255354,42,34.78598686,25.00290402,20.16691771,20.55676719,18.32255677,8.591715976,3.806228374,1.859504132,2,10,2,2.78,1.3672,0,2.094140694,0.877205321,0,10.60202202,11.91479019,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0.003,0.193,0.184,0.895,1.4,6.345,17,22,27,34,29,26,22,19,5,226,2.970414466,3.597312261,4.237723145,4.844187086,5.454786785,5.623679001,5.901266279,6.160597299,6.409435762,5.041962354,7.769617874,10.47153277,0.428571429,2,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,3,0,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.076923077,2,0.153846154,0,4,7,0.75,2,1.111111111,0.4375,0.595555556,0.145833333,0.060408163,0.027777778,0,0,0,0.153846154,0.065359477,0.02734375,0.059555556,0.024305556,0.020136054,0.027777778,0,0,0,0.378324324,32.66101906,48.20647664,65.32203813,5.443503177,32.66101906,0.08915149,0.007429291,-2.900901867,112.2168638,9.351405318,5.66451994,0,156.4130633,4.584962501,4.110873864,4.934473933,5.777652323,6.621405652,7.471363088,8.319961022,9.171495588,10.02140391,10.87330009,92.30192948,3.295836866,0,4.553876892,0,6.047372179,0,7.643482907,0,9.287949351,9.506511312,156.0939004,6.503912516,24.53519635,2.044599696,0,0,0,190,16,4.08,60,1.253340295,2.212600385,3.054313933,3.961230994,4.878438583,5.948980343,6.903446704,7.609622845,8.38898923,0,110.6525103,153.1258426,162.1531996,157.7601098,140.9277763,144.1351395,100.4488089,35.665217,8.523749953,0,366.8855207,539.0087059,614.8223687,676.9657421,661.1420603,746.3675079,674.859596,447.2199248,260.7611973,0,9.22633189,16.08949235,21.96312683,28.33128095,34.41884932,41.91404306,48.20360878,52.13030367,56.36112214,0,2.60602792,3.973532561,4.730965759,5.491122559,5.647847037,6.580727351,6.467915139,5.068077007,3.72985287,0,172.893586,318.7752501,457.1378867,602.1414304,776.7375193,950.196229,1133.970463,1327.075873,1551.272191,0,3.466292975,5.452099767,6.935029561,8.483194102,8.947198223,10.75810511,11.6177468,10.12817778,8.38898923,0,0.533795116,0.820100603,0.984730599,1.153400478,1.198558258,1.403323724,1.398139398,1.125778538,0.859032497,0,299.1785808,169.7210843,13.80231173,163.9418201,-93.00259192,-7.901531045,135.2367607,262.7236762,21.70384277,0.64600605,0.366472917,0.029802858,0.35399395,-0.200817307,-0.017061505,138.5557043,78.60129659,6.392132139,75.92480142,-43.07139765,-3.659360225,0.11040683,0.107995928,2.515697977,1.158147263,463.1204008,0,1,0,975.7223254,31.23655431,9.918410544,1093.452944,33.06740002,10.3022804,1749.289311,41.8245061,12.0490798,1.649329637,1.649329637,986.7551676,837.3838979,192.0704761,1.178378483,5.137464058,4.359774156,4.668664905,5.210020969,8.910252447,0.710214316,3.91856023,4.554381543,4.373174487,13.55213386,2.750037932,6.378957725,6.847229241,6.78912265,7.104308094,4.239701231,8.983944835,2.460240308,5.475213804,2.41850899,1.427167721,0.001560418,0.456713533,7.85E-16,2.66E-52,1.74E-110,2.20E-190,5.34E-292,0,0,0,0,0,0,0,0,0.328990699,4.55427787,0.351736883,7.301850141,0.986061033,1.201870631,1.187927332,0.916764435,2.541113312,0.537802925,0.797693725,0.460880783,0.837667414,0.095454048,0.041959411,1.16E-05,0.003216671,5.53E-18,1.88E-54,1.23E-112,1.55E-192,3.76E-294,0,0,0,0,0,0,0,0,1.061698367,4.554285101,1.14537298,8.058327017,1.126338592,2.074464494,2.237504713,2.03089062,3.144731604,1.069220891,2.00102931,0.739613192,1.485173698,0.378981479,0.186723223,1.16E-04,0.033520189,5.77E-17,1.95E-53,1.28E-111,1.61E-191,3.92E-293,0,0,0,0,0,0,0,0,3.698809355,4.554370268,4.117353637,12.98577093,2.564294911,5.99687046,6.463410649,6.399711046,6.70897823,3.933752627,8.317348341,2.292070771,5.085489275,2.208844885,1.293551125,0.001390752,0.406923536,7.00E-16,2.37E-52,1.55E-110,1.96E-190,4.76E-292,0,0,0,0,0,0,0,0,1.564679211,4.554294202,1.698262962,8.731827261,1.287894266,2.728153737,2.989363524,2.820807169,3.656435274,1.500597749,2.965937258,0.969369703,2.018480136,0.630224363,0.327070159,2.51E-04,0.072810331,1.25E-16,4.25E-53,2.78E-111,3.50E-191,8.52E-293,0,0,0,0,0,0,0,0,4.732198807,4.554428884,5.331299591,15.85772682,3.52604413,7.867627479,8.31075641,8.264899147,8.699716807,5.46255429,11.63989638,3.134865011,7.038335876,3.271383331,1.977315758,0.002273604,0.666073766,1.15E-15,3.88E-52,2.54E-110,3.20E-190,7.79E-292,0,0,0,0,0,0,0,0,2.149962927,3.956871907,2.272108381,9.340168107,1.645920442,3.361141744,3.882774775,3.652653617,4.209350641,1.896062613,4.141474867,1.231920571,2.731208555,0.841118722,0.524003834,4.46E-04,0.129909627,2.23E-16,7.57E-53,4.95E-111,6.25E-191,1.52E-292,0,0,0,0,0,0,0,0,7.25971759,1.920056202,0.331143511,0.763303618,0.201879182,0.571538782,0.447821027,0.238445426,9.510917303,16.97888831,31.10563679,0.644955427,1.257805235,5.366177353,1.094375661,0.139908396,0.813000337,0.165802903,0.312587369,0.145730051,0.041443745,6.600461409,6.776499495,14.19858889,0.719500506,0.499761165,5.974094465,1.359724565,0.201538278,0.792808386,0.180445931,0.387235798,0.224842574,0.086941997,7.535357307,9.601168251,18.77364578,0.689212579,0.69902037,7.195038242,1.891887979,0.324640667,0.764488881,0.201017323,0.561408638,0.43480316,0.229030764,9.411566888,16.56219215,30.39283479,0.646733322,1.225242562,6.297501805,1.500774951,0.234220485,0.784002984,0.186837904,0.430218375,0.273830975,0.117985996,8.032497242,11.27764913,21.52379532,0.676004476,0.822035347,7.470603517,2.011884539,0.352335581,0.759607268,0.204567424,0.605199431,0.491587037,0.270459152,9.834823637,18.37100965,33.50143415,0.639410902,1.367245621,7.199256555,1.893523413,0.324271504,0.76449158,0.201073916,0.562056507,0.43559029,0.228671256,9.417051472,16.58049028,30.4179982,0.646737369,1.226318053 +UMLYSI0040,L,1-methylnaphthalene,CC1=CC=CC2=CC=CC=C12,aromatic,C11H10,90-12-0,7002,PubChem,,649.1,0,2.3942,5.73219364,53.4348,26.02793,10,11,21,11,10,0,11,0,0,0,0,0,0,0,0,0,1597.065971,1852.240332,2517.094624,2459.612247,1644.488001,722.432091,111.0816,5.08032,0,4969.523364,6229.568985,8820.04414,9261.851041,7241.863585,4251.414071,1353.065353,155.4187222,0,150.130316,161.662512,261.803392,317.523228,314.187588,260.230188,150.999552,33.59232,0,35.12402905,44.6022431,64.88649198,70.78162796,59.39163101,38.86896108,15.13293515,2.223064524,0,3243.914437,3052.75775,5186.545965,6501.444747,6723.004105,5936.295838,3813.82751,924.5882601,0,50.33333333,62.22222222,90.77777778,103.6666667,95,68.66666667,30,5,0,76.05076052,84.19274236,69.91929511,55.90027834,37.3747273,19.52519165,5.049163636,1.016064,0,236.6439697,283.1622266,245.0012261,210.4966146,164.5878088,114.903083,61.50297059,31.08374443,0,7.149062667,7.348296,7.272316444,7.216437,7.140627,7.033248324,6.863616,6.718464,0,1.672572812,2.027374686,1.802402555,1.608673363,1.349809796,1.050512462,0.687860689,0.444612905,0,154.4721161,138.7617159,144.0707212,147.7601079,152.7955478,160.4404281,173.3557959,184.917652,0,2.396825397,2.828282828,2.521604938,2.356060606,2.159090909,1.855855856,1.363636364,1,0,0.056487036,-0.003336586,-0.015706404,0.002245335,-0.015709271,-0.020846755,0.012314004,0.012796158,0,634.1552852,27.45260975,25.53092707,-146.8714622,-365.943288,-246.7989617,223.4642434,166.088289,0,1179.238832,51.0493001,47.47584909,-273.1137555,-680.4871703,-458.9332079,415.5413028,308.8482656,0,0.124226667,0.005377778,0.005001333,-0.028771111,-0.071685778,-0.048346222,0.043775111,0.032535556,0,5.271746254,0.228214124,0.212239135,-1.220945561,-3.042094267,-2.051644971,1.857662966,1.380695447,0,28.63620932,1.239662741,1.152886349,-6.632195665,-16.52470434,-11.14456804,10.09085471,7.499959584,0,4.571428571,-0.551020408,-0.0430839,-0.229024943,-1.514739229,-2.260770975,1.179138322,1.133786848,0,0.002689859,-1.52E-04,-4.36E-04,5.10E-05,-3.57E-04,-5.63E-04,5.60E-04,0.002559232,0,30.19787073,1.247845898,0.709192419,-3.337987776,-8.316892909,-6.670242207,10.15746561,33.2176578,0,56.15423011,2.320422732,1.318773586,-6.207130808,-15.46561751,-12.40360021,18.88824104,61.76965312,0,0.005915556,2.44E-04,1.39E-04,-6.54E-04,-0.001629222,-0.001306655,0.001989778,0.006507111,0,0.251035536,0.010373369,0.005895532,-0.027748763,-0.069138506,-0.055449864,0.084439226,0.276139089,0,1.363629015,0.056348306,0.032024621,-0.15073172,-0.375561462,-0.301204542,0.458675214,1.499991917,0,0.217687075,-0.025046382,-0.001196775,-0.005205112,-0.034425892,-0.061101918,0.053597196,0.22675737,0,-0.056383251,-0.162197733,0.018971386,-0.132731462,-0.209462961,0.208088045,0.95143716,0,0.041322314,0.023484848,-0.11053719,-0.275413223,-0.220884521,0.336363636,1.1,0,0.041322314,0.023484848,-0.11053719,-0.275413223,-0.220884521,0.336363636,1.1,0,0.041322314,0.023484848,-0.11053719,-0.275413223,-0.220884521,0.336363636,1.1,0,0.041322314,0.023484848,-0.11053719,-0.275413223,-0.220884521,0.336363636,1.1,0,0.041322314,0.023484848,-0.11053719,-0.275413223,-0.220884521,0.336363636,1.1,0,-0.115056818,-0.005497685,-0.023910985,-0.158143939,-0.280686937,0.246212121,1.041666667,0,0.958423605,1.006141706,0.904148751,1.093978505,1.234996093,0.839408612,0.122827028,0,0.867768595,0.901515152,1.041322314,1.214876033,1.186732187,0.694214876,0,0,0.867768595,0.901515152,1.041322314,1.214876033,1.186732187,0.694214876,0,0,0.867768595,0.901515152,1.041322314,1.214876033,1.186732187,0.694214876,0,0,0.867768595,0.901515152,1.041322314,1.214876033,1.186732187,0.694214876,0,0,0.867768595,0.901515152,1.041322314,1.214876033,1.186732187,0.694214876,0,0,1.049558081,0.864197531,0.905934343,1.121369949,1.326951952,0.795454545,0,0,36.07996325,18.03998162,25.2932609,36.07996325,3.279996659,18.03998171,0,0.034468496,0.0031335,-3.704480482,162.773403,14.79758209,5.601594974,36.07996325,18.03998162,25.2932609,36.07996325,3.279996659,18.03998171,0,0.034468496,0.0031335,-3.704480482,162.773403,14.79758209,5.601594974,36.07996325,18.03998162,25.2932609,36.07996325,3.279996659,18.03998171,0,0.034468496,0.0031335,-3.704480482,162.773403,14.79758209,5.601594974,36.07996325,18.03998162,25.2932609,36.07996325,3.279996659,18.03998171,0,0.034468496,0.0031335,-3.704480482,162.773403,14.79758209,5.601594974,36.07996325,18.03998162,25.2932609,36.07996325,3.279996659,18.03998171,0,0.034468496,0.0031335,-3.704480482,162.773403,14.79758209,5.601594974,36.07996325,18.03998162,25.2932609,36.07996325,3.279996659,18.03998171,0,0.034468496,0.0031335,-3.704480482,162.773403,14.79758209,5.601594974,40.86933405,19.79630442,28.39428692,40.8362762,3.712388745,19.79630444,-0.072727273,0.0723131,0.006573918,-2.889424973,111.0127706,10.09207006,5.18060977,0,11.85,12.15012665,-0.185626232,0.116987395,6.423772469,9.508234582,12,22,17,11,1,5,0,0,0,11,10.93207,3.994305139,3.32510385,2.985816627,2.508420549,2.468505006,1.945200867,1.045692808,0.803593918,2.115800137,1.620511443,1.408029581,1.072890841,0.870843509,0.687942752,0.304755044,0.242552779,4.001435452,3.342192268,3.007297468,2.540438778,2.496623639,1.998328711,1.13995272,0.921893241,2.095278724,1.570705581,1.335181848,0.994361054,0.801057303,0.584604488,0.148926868,0.07612974,4.034186206,3.421550566,3.114402387,2.713427751,2.600891763,2.225712924,1.55151819,1.41369408,2.041049002,1.438294113,1.138362308,0.748847748,0.622483103,0.270077653,0.369870863,0.49630913,4.006755479,3.354996199,3.023774926,2.567277745,2.514929761,2.037108583,1.209879923,1.008242044,2.082815242,1.540337266,1.289843581,0.943223945,0.75901609,0.517773019,0.044539751,0.036567747,4.051150826,3.462972323,3.174332015,2.79928426,2.654720174,2.333445176,1.740287645,1.628130726,2.025644721,1.400750986,1.085235808,0.668265007,0.574308649,0.168961529,0.550477749,0.704745151,3.98486929,3.396385387,3.040786222,2.621809377,2.516099551,2.088966586,1.287739496,1.100705873,2.101712999,1.491329542,1.239873705,0.879080642,0.738369198,0.450996335,0.057184874,0.14831554,0,0,0,7,3,1,0,0,0,0,0,0,0.151374715,0.271304514,0,0,0,0.051834039,0.081760435,0.538451691,0,0.164266427,0,0.299839684,0,0.065722928,0,1.440177475,2.343625286,3.032808549,0.663675135,0.891346035,0.953923167,7.681798276,5.377010098,4.61657886,3.93315398,3.259982962,2.51337767,1.371433079,0.810480387,0.698345298,0.448084175,0.288536179,0.187293047,0.12538396,0.083779256,0.059627525,0.040524019,6.541451884,3.821367205,2.796046574,2.007638632,1.387357326,0.881178663,0.404172547,0.196120185,0.594677444,0.318447267,0.174752911,0.09560184,0.053359897,0.029372622,0.017572719,0.009806009,13.70913902,20.43918427,19.62745098,19.8,14.99277246,155.5974431,0.652816144,0.973294489,0.934640523,0.942857143,0.713941545,7.409402053,2.86782,47.588,77.56646343,94.77890869,155.1329269,14.10299335,77.56646343,0.024472618,0.002224783,-4.081220465,146.7616978,13.34197253,5.487691185,99,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,7,0,0,0,0,0,0,0,0,1,0,0,0,0,7,0,0,0,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.8587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.054027778,0,0,0,0,3.054027778,0,0,0,0,0,0,0,0,2.141203704,0,0,0,0,14.82583333,0,0,0,0,1.350092593,2.68287037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.326388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,0,0,0,0.422222222,0,0,0,0,0,0,0,0,2.141203704,0,0,0,0,2.071203704,0,0,0,0,1.350092593,1.326388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.157407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.443055556,0,0,0,0,0.443055556,0,0,0,0,0,0,0,0,2.141203704,0,0,0,0,2.157407407,0,0,0,0,1.350092593,1.356481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21,1.909090909,0.443055556,2.157407407,0.1875,1.326388889,6.524021389,0.340277778,0.157407407,1.934074074,0.340277778,0.157407407,1.934074074,5.5,0.5,0,0,0.50952,0.7,0.44194,0.44194,0.7,0.06759,0.06759,0,0,0.71429,0,0,0.09091,0.27273,0,16,1.45455,6,0.54545,10,0.90909,4,0.36364,0,0,5.34393,0.48581,13.07157,7.72763,0.70251,2.11426,0.19221,5.37699,3.26273,0.29661,0.03701,0.00336,0.20901,0.019,0.476190476,34,0,0,0,0,0,0,0.090909091,0.998363673,2.199086165,2.777262806,3.522571589,3.975418018,4.070656113,20.96563712,46.18080947,58.32251892,73.97400337,83.48377838,85.48377838,0.227297706,0.500666494,0.632300114,0.80198475,0.905084409,0.92676729,3.39395375,2.193231258,1.615054617,0.869745834,0.416899405,0.32166131,0.208803297,0.459929036,0.580852095,0.736730094,0.831440899,0.851359521,6.377551321,16.17321944,23.11133913,26.74649954,28.24976331,29.39262046,37.34828698,33.47770282,25.61396243,20.35711754,18.06656238,16.69952386,7.638888889,3.1640625,1.451247166,0,10,0,2.67,1.2263,0,2.0318649,1.650963624,0,8.737028661,10.12736582,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.193,0.184,0.895,1.4,5.846,16,21,26,30,23,20,17,15,3,194,2.917770732,3.569532696,4.226833745,4.835289351,5.38764377,5.497168225,5.768125664,6.018745271,6.2900996,4.756431651,7.649501943,10.81752376,0.4,2,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,3,0,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.083333333,0,3,5,0.666666667,1.5,1.333333333,0.6875,0.435555556,0.0625,0,0,0,0,0,0.125,0.083333333,0.045833333,0.048395062,0.020833333,0,0,0,0,0,0.323395062,25.96497222,36.72895314,51.92994444,4.72090404,25.96497222,0.018645903,0.001695082,-4.380341732,117.1701981,10.65183619,5.239990318,0,139.1170787,4.459431619,4.043051268,4.875197323,5.726847748,6.575075841,7.431891917,8.283241441,9.140883107,9.992916837,10.85063721,89.91974269,3.218875825,0,4.48863637,0,5.998936562,0,7.617267814,0,9.28405541,9.497172083,142.0782503,6.765630968,22.50823268,2.046202971,0,0,0,140,15,3.616,56,1.253841244,2.221343462,3.111027964,4.027160338,4.892596564,5.850218692,6.659280577,0,0,0,114.5294601,166.4342639,181.6914877,160.982842,97.87561133,29.19255359,6.76625526,0,0,0,375.9871849,572.1007215,677.740016,692.1930128,576.6020538,357.194969,206.9953755,0,0,0,9.242283752,16.20178866,22.5049972,28.8208843,34.47469457,40.14119633,44.74013682,0,0,0,2.655656985,4.161997764,5.14623859,5.613555366,5.251328806,4.003257684,2.960802081,0,0,0,172.1991389,316.847651,455.7310194,610.729935,779.9195621,1015.161663,1231.418528,0,0,0,3.639596705,5.760038073,7.503860485,8.915448084,9.241520644,7.946360309,6.659280577,0,0,0,0.543361382,0.856793645,1.068015186,1.178964879,1.12486113,0.887491481,0.681910331,0,0,0,244.9131964,126.8119771,12.75060863,187.9056925,-97.29444036,-9.761084899,57.00750392,224.1064175,22.51169353,0.565856072,0.292990857,0.029459455,0.434143928,-0.224792501,-0.022552354,106.0030575,54.88661904,5.518704259,81.32913302,-42.11087157,-4.22478192,0.120455821,0.118131149,1.545543098,1.486026132,432.8188889,0,1,0,913.6407562,30.22649097,9.703427266,1011.997303,31.81190505,10.03983214,1615.492425,40.19318879,11.73369987,1.236468942,1.139581568,681.3749424,429.0364862,255.7096597,1.588151508,2.664642952,1.677826668,4.316456332,3.806611387,7.114111634,0.868883086,3.360759123,3.605864235,5.15708543,10.91144169,0.302367179,5.820028361,5.08865075,5.895232105,6.881455997,0.73118265,10.93320111,0.142017213,1.358986802,3.86E-07,8.30E-35,3.85E-84,3.47E-155,6.02E-248,0,0,0,0,0,0,0,0,0,0,0,0,0.282178317,3.605802667,0.420385223,7.262928176,0.155774958,0.548549383,1.129559555,0.387291425,2.772844549,0.018490331,0.536313305,0.00100024,0.009571455,2.72E-09,5.85E-37,2.71E-86,2.44E-157,4.24E-250,0,0,0,0,0,0,0,0,0,0,0,0,0.910582293,3.605807007,1.365095607,7.724167065,0.185696983,1.325595213,1.926995287,1.302087497,3.482538409,0.087939127,1.982491005,0.010423263,0.099741942,2.83E-08,6.09E-36,2.83E-85,2.54E-156,4.42E-249,0,0,0,0,0,0,0,0,0,0,0,0,3.172290612,3.605857555,4.859271708,10.58778922,0.293392705,5.391544598,4.842493007,5.483928577,6.584307502,0.660656338,10.05754744,0.126534781,1.210832774,3.44E-07,7.40E-35,3.43E-84,3.09E-155,5.36E-248,0,0,0,0,0,0,0,0,0,0,0,0,1.341961921,3.605812429,2.020186793,8.124970271,0.206237685,1.947784805,2.477586727,1.992268847,4.008012283,0.158187509,3.175979529,0.022640717,0.216652827,6.15E-08,1.32E-35,6.14E-85,5.53E-156,9.59E-249,0,0,0,0,0,0,0,0,0,0,0,0,4.058573188,3.605892273,6.268653158,12.22365637,0.335595844,7.526602035,6.004359681,7.502251807,8.03346376,1.022848,14.44690491,0.207118754,1.981954531,5.62E-07,1.21E-34,5.62E-84,5.06E-155,8.78E-248,0,0,0,0,0,0,0,0,0,0,0,0,1.844305284,3.193013766,2.705440824,8.28124376,0.23873618,2.42178526,3.055668741,2.687788111,4.874187269,0.248209885,4.639040133,0.038966178,0.37287393,1.06E-07,2.28E-35,1.06E-84,9.51E-156,1.65E-248,0,0,0,0,0,0,0,0,0,0,0,0,4.287105813,3.04827903,0.079637831,0.578164896,0.411095038,0.545167679,0.551802201,0.095243761,7.415022674,13.65246889,22.10822221,0.483889901,1.192213641,3.018096532,1.815920473,0.011855734,0.622817951,0.374735485,0.270686623,0.194768896,0.00211084,4.845872739,5.537934101,10.44878365,0.496330155,0.467566359,3.407846468,2.208293508,0.033049713,0.603245183,0.390904471,0.344281251,0.290857998,0.016403384,5.64918969,7.711137048,13.60904319,0.491224481,0.651542633,4.241012148,3.005672264,0.077234226,0.579063253,0.410391269,0.533393555,0.53703854,0.089581288,7.323918638,13.30678464,21.61521511,0.484181782,1.160013382,3.621833794,2.418278289,0.044538515,0.595241047,0.397439138,0.388644392,0.349565344,0.029789925,6.084650597,9.02761965,15.50236537,0.489020278,0.767999661,4.438794174,3.187475611,0.087520234,0.57543622,0.413217835,0.584913015,0.600993971,0.11503092,7.71379002,14.81600109,23.76807537,0.482981083,1.300937905,4.244555582,3.006859366,0.077082394,0.579184979,0.410296849,0.534247769,0.537646016,0.089229424,7.328497341,13.32173812,21.63402123,0.484222742,1.161123209 +UMLYSI0041,L,2-methylnaphthalene,CC1=CC2=CC=CC=C2C=C1,aromatic,C11H10,91-57-6,7055,PubChem,,649.1,0,2.3942,5.73219364,53.4348,26.02793,10,11,21,11,10,0,11,0,0,0,0,0,0,0,0,0,1597.065971,1852.240332,2517.094624,2338.546238,1467.966872,793.03762,284.554537,55.5408,3.048192,4969.523364,6229.568985,8820.04414,9036.723628,6598.471812,3955.42753,1903.205893,676.5326765,93.25123329,150.130316,161.662512,261.803392,317.499512,312.168032,218.346448,132.863716,75.499776,20.155392,35.12402905,44.6022431,64.88649198,69.77520368,55.0405497,34.53198232,18.15017774,7.566467574,1.333838715,3243.914437,3052.75775,5186.545965,6495.977834,6876.512714,4959.437256,3105.565945,1906.913755,554.7529561,50.33333333,62.11111111,91.44444444,104.7777778,88.66666667,57.66666667,32.66666667,15,3,76.05076052,84.19274236,69.91929511,53.14877814,33.36288345,25.58185871,14.97655458,5.049163636,1.016064,236.6439697,283.1622266,245.0012261,205.3800825,149.9652685,127.5944364,100.1687312,61.50297059,31.08374443,7.149062667,7.348296,7.272316444,7.215898,7.094728,7.043433806,6.992827158,6.863616,6.718464,1.672572812,2.027374686,1.802402555,1.585800084,1.250921584,1.113934913,0.955272513,0.687860689,0.444612905,154.4721161,138.7617159,144.0707212,147.6358599,156.2843799,159.981847,163.4508392,173.3557959,184.917652,2.396825397,2.823232323,2.540123457,2.381313131,2.015151515,1.860215054,1.719298246,1.363636364,1,0.056290434,-0.002759782,-0.011172708,-0.013407966,-0.011029853,4.06E-04,-0.001948096,0.006623602,0.005143527,634.1552852,27.45260975,25.53092707,-267.9374712,-169.9316544,-71.37678535,-72.20036364,111.7321217,99.65297339,1179.238832,51.0493001,47.47584909,-498.241169,-315.9951676,-132.7281803,-134.2596593,207.7706514,185.3089594,0.124226667,0.005377778,0.005001333,-0.052487111,-0.033288444,-0.013982222,-0.014143556,0.021887556,0.019521333,5.271746254,0.228214124,0.212239135,-2.227369846,-1.412645425,-0.593356721,-0.600203145,0.928831483,0.828417268,28.63620932,1.239662741,1.152886349,-12.09910835,-7.673512368,-3.223123127,-3.260313009,5.045427356,4.49997575,4.571428571,-0.662131519,0.623582766,-1.578231293,-0.959183673,-0.256235828,-0.723356009,0.589569161,0.680272109,0.002680497,-1.25E-04,-3.10E-04,-3.05E-04,-2.51E-04,1.31E-05,-1.03E-04,6.02E-04,0.001714509,30.19787073,1.247845898,0.709192419,-6.089487981,-3.862083054,-2.302476947,-3.800019139,10.15746561,33.2176578,56.15423011,2.320422732,1.318773586,-11.32366293,-7.181708355,-4.281554202,-7.066297856,18.88824104,61.76965312,0.005915556,2.44E-04,1.39E-04,-0.001192889,-7.57E-04,-4.51E-04,-7.44E-04,0.001989778,0.006507111,0.251035536,0.010373369,0.005895532,-0.050622042,-0.032105578,-0.019140539,-0.031589639,0.084439226,0.276139089,1.363629015,0.056348306,0.032024621,-0.274979735,-0.174398008,-0.103971714,-0.171595422,0.458675214,1.499991917,0.217687075,-0.030096887,0.017321744,-0.035868893,-0.021799629,-0.008265672,-0.038071369,0.053597196,0.22675737,-0.046799027,-0.11578189,-0.113682839,-0.093519405,0.004886655,-0.038250881,0.224639562,0.639623543,0.041322314,0.023484848,-0.201652893,-0.127892562,-0.076246334,-0.125837321,0.336363636,1.1,0.041322314,0.023484848,-0.201652893,-0.127892562,-0.076246334,-0.125837321,0.336363636,1.1,0.041322314,0.023484848,-0.201652893,-0.127892562,-0.076246334,-0.125837321,0.336363636,1.1,0.041322314,0.023484848,-0.201652893,-0.127892562,-0.076246334,-0.125837321,0.336363636,1.1,0.041322314,0.023484848,-0.201652893,-0.127892562,-0.076246334,-0.125837321,0.336363636,1.1,-0.138257576,0.079571759,-0.164772727,-0.100142045,-0.03797043,-0.174890351,0.246212121,1.041666667,0.946410026,0.970267269,1.068373857,1.082273887,1.034132032,1.034088336,0.663469917,0.205638847,0.867768595,0.901515152,1.128099174,1.084710744,1.046920821,1.105263158,0.694214876,0,0.867768595,0.901515152,1.128099174,1.084710744,1.046920821,1.105263158,0.694214876,0,0.867768595,0.901515152,1.128099174,1.084710744,1.046920821,1.105263158,0.694214876,0,0.867768595,0.901515152,1.128099174,1.084710744,1.046920821,1.105263158,0.694214876,0,0.867768595,0.901515152,1.128099174,1.084710744,1.046920821,1.105263158,0.694214876,0,1.07165404,0.783179012,1.09927399,1.066130051,1.011424731,1.20248538,0.795454545,0,37.25766909,18.62883454,27.06826548,37.25766909,3.387060826,18.62883459,-3.55E-15,0.095659385,0.008696308,-2.581657618,72.04665479,6.54969589,4.705045282,37.25766909,18.62883454,27.06826548,37.25766909,3.387060826,18.62883459,-3.55E-15,0.095659385,0.008696308,-2.581657618,72.04665479,6.54969589,4.705045282,37.25766909,18.62883454,27.06826548,37.25766909,3.387060826,18.62883459,-3.55E-15,0.095659385,0.008696308,-2.581657618,72.04665479,6.54969589,4.705045282,37.25766909,18.62883454,27.06826548,37.25766909,3.387060826,18.62883459,-3.55E-15,0.095659385,0.008696308,-2.581657618,72.04665479,6.54969589,4.705045282,37.25766909,18.62883454,27.06826548,37.25766909,3.387060826,18.62883459,-3.55E-15,0.095659385,0.008696308,-2.581657618,72.04665479,6.54969589,4.705045282,37.25766909,18.62883454,27.06826548,37.25766909,3.387060826,18.62883459,-3.55E-15,0.095659385,0.008696308,-2.581657618,72.04665479,6.54969589,4.705045282,40.64404042,19.96791513,29.09541527,40.61098257,3.691907506,19.96791515,-0.072727273,0.124068496,0.011278954,-2.295613625,65.40980566,5.946345969,4.598739399,0,11.85,12.15012665,-0.206030368,0.094142035,6.095978034,9.180137524,12,22,17,11,1,5,0,0,0,11,10.93207,3.988346138,3.365521151,2.90191713,2.670698567,2.303297764,1.992947083,1.129867096,0.751172825,2.113229353,1.657535938,1.308017046,1.158512855,0.850404159,0.696849293,0.362669505,0.238375889,3.995768091,3.382005763,2.921734622,2.699403386,2.337951112,2.045704383,1.221903706,0.878556609,2.092347519,1.607566734,1.233710159,1.088559894,0.763934828,0.600749996,0.209870692,0.070575758,4.029697076,3.459327101,3.020174238,2.841073086,2.493453495,2.265854234,1.624257592,1.3952894,2.03677463,1.475797064,1.042404439,0.871313885,0.524939245,0.307873388,0.298759451,0.511931622,4.001297335,3.394395914,2.936886249,2.721509189,2.363718352,2.08388299,1.290194508,0.970705445,2.079627736,1.577158976,1.188204394,1.042981219,0.710279261,0.538872103,0.107501177,0.043340819,4.047173321,3.500163978,3.076130982,2.915172326,2.570656691,2.367469932,1.809177823,1.615691339,2.020873121,1.438941163,0.993291576,0.803308547,0.453723134,0.211701018,0.475563017,0.727527075,3.984414965,3.418994356,2.962239632,2.74416172,2.408831982,2.128786738,1.377347118,1.071057525,2.092535819,1.541794881,1.135838787,0.993054442,0.655004925,0.483923787,0.001321528,0.157607154,0,0,0,7,3,1,0,0,0,0,0,0,0.151374715,0.282117557,0,0,0,0.051834039,0.083909054,0.622008468,0,0.083333333,0,0.333333333,0,0.027777778,0,1.291973768,1.954251771,2.7110646,0.558012702,0.705341801,0.826774549,7.681798276,5.360173345,4.722840606,3.801871697,3.108068805,2.609602715,1.437044285,0.81192906,0.698345298,0.446681112,0.295177538,0.190093585,0.124322752,0.084180733,0.059876845,0.040596453,6.541451884,3.815384141,2.850604952,1.904967731,1.308742686,0.92284533,0.427896416,0.196836391,0.594677444,0.317948678,0.178162809,0.095248387,0.052349707,0.029769204,0.017829017,0.00984182,13.70913902,20.43918427,19.62745098,19.8,14.99277246,155.5974431,0.652816144,0.973294489,0.934640523,0.942857143,0.713941545,7.409402053,2.86782,47.588,77.22193473,93.59608077,154.4438695,14.04035177,77.22193473,0.045824348,0.00416585,-3.391233682,93.03013459,8.457284963,4.986215815,108,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,7,0,0,0,0,0,0,0,0,1,0,0,0,0,7,0,0,0,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.8825,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.049828515,0,0,0,0,3.049828515,0,0,0,0,0,0,0,0,2.1175,0,0,0,0,14.91555556,0,0,0,0,1.32287037,2.644074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.317685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,0,0,0,0.422222222,0,0,0,0,0,0,0,0,2.1175,0,0,0,0,2.06712963,0,0,0,0,1.32287037,1.317685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.203703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.444897959,0,0,0,0,0.444897959,0,0,0,0,0,0,0,0,2.1175,0,0,0,0,2.203703704,0,0,0,0,1.32287037,1.326388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21,1.909090909,0.444897959,2.203703704,0.1875,1.317685185,6.522205926,0.348981481,0.203703704,2.066111111,0.348981481,0.203703704,2.066111111,5.5,0.5,0,0,0.50952,0.7,0.44194,0.44194,0.7,0.06759,0.06759,0,0,0.71429,0,0,0.09091,0.27273,0,16,1.45455,6,0.54545,10,0.90909,4,0.36364,0,0,5.26718,0.47883,12.97475,7.70757,0.70069,2.11335,0.19212,5.36015,3.24681,0.29516,0.05385,0.0049,0.22585,0.02053,0.476190476,34,0,0,0,0,0,0,0.090909091,0.998363673,2.199086165,2.81320983,3.522571589,3.594465637,3.844232899,20.96563712,46.18080947,59.07740642,73.97400337,75.48377838,80.72889087,0.227297706,0.500666494,0.640484182,0.80198475,0.818352885,0.87521746,3.39395375,2.193231258,1.579107593,0.869745834,0.797851786,0.548084524,0.208803297,0.459929036,0.588370254,0.736730094,0.751766412,0.804004118,6.377551321,16.17321944,23.54270341,25.30448976,24.72520855,28.11755167,37.34828698,33.47770282,24.89397034,22.09630973,22.84388049,18.41440082,7.638888889,3.1640625,1.6,0,10,0,2.67,1.2263,0,1.968115314,1.310370697,0,8.780973945,10.61787552,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0.003,0.193,0.184,0.895,1.4,5.846,16,20,25,31,24,20,18,15,2,194,2.917770732,3.569532696,4.193435465,4.80811103,5.410529357,5.527815684,5.768125664,6.059469952,6.2900996,4.355255447,7.642655271,10.74367751,0.5,2,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,3,0,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.083333333,0,3,6,1,2,1.111111111,0.4375,0.555555556,0.083333333,0.04,0,0,0,0,0.166666667,0.069444444,0.03125,0.069444444,0.020833333,0.04,0,0,0,0,0.397638889,26.78480967,39.18469577,53.56961934,4.869965394,26.78480967,0.024155823,0.002195984,-4.095552783,76.75535012,6.977759101,4.774685402,0,139.1170787,4.459431619,4.043051268,4.859812404,5.707110265,6.543911846,7.394493107,8.236685323,9.087155271,9.93105408,10.78109982,89.58437339,3.218875825,0,4.48863637,0,5.983936281,0,7.581209826,0,9.225721474,9.444146871,142.0782503,6.765630968,22.50972442,2.046338584,0,0,0,144,14,3.616,56,1.253841244,2.22117717,3.099771326,3.990137164,5.137074258,6.126236498,7.03293796,7.901391512,0,0,114.5294601,165.7937199,173.1620802,145.1114484,136.1083506,94.73311856,35.34465272,8.028319465,0,0,375.9871849,570.589737,659.8444958,637.4478189,668.6864495,626.3087553,431.2960334,245.6048344,0,0,9.242283752,16.19856184,22.41695519,28.41692631,36.21189655,42.88504311,48.26541827,53.08521442,0,0,2.655656985,4.153717931,5.054812404,5.24448067,5.802537928,5.942028779,4.827681561,3.513060633,0,0,172.1991389,316.9493953,454.1390305,615.5435889,819.7454569,997.8330988,1219.675869,1461.106766,0,0,3.636219289,5.803823996,7.549803574,8.362419634,9.676974092,10.66219208,9.57542075,7.901391512,0,0,0.543361382,0.855195542,1.050587182,1.104757412,1.23442516,1.281869596,1.070018479,0.809102491,0,0,281.414576,145.9328038,13.75069426,204.1646453,-105.8734041,-9.66861014,77.24993076,251.8062078,23.4193044,0.579544107,0.300533461,0.028318127,0.420455893,-0.218035285,-0.019911499,136.6490707,70.86193722,6.67705141,99.13810947,-51.4099251,-4.694876183,0.120763229,0.117952638,2.960055222,1.617320807,485.5792213,0,1,0,913.6407562,30.22649097,9.703427266,1011.997303,31.81190505,10.03983214,1600.181155,40.00226437,11.69651235,1.463236081,1.463236081,756.0970027,589.4744823,169.9936405,1.282662821,4.447795814,3.467626674,4.3261539,4.359645623,7.951795461,0.823954548,3.360759123,3.605864235,4.191081727,13.4834775,0.185547822,5.54133003,6.114329061,5.585721599,5.163524826,2.68668839,7.337938642,2.038579773,2.81394116,1.122860371,1.601593687,1.74E-13,3.70E-48,1.51E-104,1.20E-182,1.82E-282,0,0,0,0,0,0,0,0,0,0,0.282178317,3.605802667,0.339413311,6.375883263,0.030880228,0.655863165,1.173020293,0.470529612,2.036652272,0.407027127,0.769458735,0.372800349,0.122440967,0.081941421,0.011280155,1.23E-15,2.60E-50,1.07E-106,8.42E-185,1.28E-284,0,0,0,0,0,0,0,0,0,0,0.910582293,3.605807007,1.103641737,7.121181375,0.062450606,1.441642344,2.171613309,1.502247418,2.377282017,0.647524593,1.872852961,0.493861609,0.47018351,0.272616754,0.117547915,1.28E-14,2.71E-49,1.11E-105,8.77E-184,1.34E-283,0,0,0,0,0,0,0,0,0,0,3.172290612,3.605857555,3.947509829,12.7987684,0.176078979,5.167441681,5.808276177,5.268185819,4.866807726,2.467591755,6.851846461,1.859141214,2.577832347,1.051424501,1.42699114,1.55E-13,3.29E-48,1.35E-104,1.07E-182,1.62E-282,0,0,0,0,0,0,0,0,0,0,1.341961921,3.605812429,1.634786677,7.842286697,0.084122851,2.043838631,2.860095247,2.214171738,2.699486643,0.879375245,2.700779333,0.641980076,0.768771932,0.409981793,0.255329779,2.78E-14,5.89E-49,2.41E-105,1.91E-183,2.91E-283,0,0,0,0,0,0,0,0,0,0,4.058573188,3.605892273,5.101747347,16.30203469,0.220606915,7.010604128,7.251535327,6.766395222,6.381686083,3.588213362,9.233065989,2.790910837,3.76914374,1.396111138,2.335773872,2.54E-13,5.39E-48,2.21E-104,1.74E-182,2.66E-282,0,0,0,0,0,0,0,0,0,0,1.844292908,3.264529004,2.118879894,8.727743512,0.108734158,2.480581916,3.550601141,2.999181836,3.202186864,1.205983504,3.630147515,0.872805532,1.138326517,0.57230231,0.439439538,4.78E-14,1.01E-48,4.15E-105,3.28E-183,5.00E-283,0,0,0,0,0,0,0,0,0,0,6.04664537,2.119768826,0.079637339,0.733277659,0.257064708,0.559192105,0.481493167,0.095243273,8.246051535,13.46784186,22.73464422,0.599916489,1.135928545,4.187657378,1.186080418,0.011855427,0.777566594,0.220232084,0.269261508,0.151751615,0.002110742,5.385593222,5.030606367,10.47508429,0.666349891,0.423123865,4.768136124,1.478810455,0.033049347,0.759257837,0.235479525,0.348469672,0.23550003,0.016403123,6.279995927,7.257627059,13.77065954,0.638886756,0.600372824,5.980618514,2.086765225,0.077233741,0.73430318,0.256214025,0.547086345,0.466742628,0.089580805,8.14461748,13.10322096,22.21172686,0.60145477,1.103409778,5.083141692,1.63715266,0.044538118,0.751406885,0.242009343,0.395753749,0.28830598,0.029789588,6.76483247,8.621188203,15.7566615,0.627110327,0.713849317,6.263214928,2.227960586,0.087519722,0.730089455,0.25970856,0.599835318,0.531426931,0.115030416,8.578695235,14.69734132,24.4973039,0.595134182,1.246292666,5.984451262,2.086893843,0.077081908,0.734430247,0.256110025,0.547800223,0.466838308,0.089228941,8.148427013,13.11106917,22.22216555,0.60164537,1.103867472 +UMLYSI0042,L,diphenylacetylene,C1=CC=C(C=C1)C#CC2=CC=CC=C2,aromatic,C14H10,501-65-5,10390,PubChem,,638.6,0,3.006,9.036036,68.0348,31.30793,12,12,24,14,10,0,14,0,0,0,0,0,0,0,0,0,2029.858334,2285.032695,2838.895938,2462.660439,1668.697306,1567.776346,1612.140442,1376.104808,778.898404,6240.074069,7500.11969,9918.036559,9355.102275,6549.098068,5506.870159,5841.481647,5577.729286,3778.523424,172.751864,184.28406,278.081928,337.67862,257.270248,173.455336,175.052008,215.31536,197.791888,43.49072905,52.9689431,72.4710862,72.11546668,51.48970082,40.80289472,43.47862034,44.1334492,32.5292122,3624.297506,3433.140818,5344.749364,7056.197703,5503.490636,3538.839646,3411.659229,4510.231316,4436.479404,68.05555556,79.91666667,112.3333333,122.1111111,90.66666667,65,66.33333333,71.33333333,56,84.57743058,91.4013078,74.70778784,52.39703062,46.35270294,65.32401442,67.17251842,45.87016027,27.81780014,260.0030862,300.0047876,261.0009621,199.0447292,181.9193908,229.4529233,243.3950686,185.9243095,134.9472652,7.197994333,7.3713624,7.317945474,7.184651489,7.146395778,7.227305667,7.293833667,7.177178667,7.063996,1.81211371,2.118757724,1.907133847,1.534371631,1.430269467,1.700120613,1.811609181,1.471114973,1.161757579,151.0123961,137.3256327,140.651299,150.131866,152.8747399,147.4516519,142.1524679,150.3410439,158.445693,2.835648148,3.196666667,2.956140351,2.598108747,2.518518519,2.708333333,2.763888889,2.377777778,2,0.078376863,-0.012127009,-0.025405352,0.00293054,-0.005285621,0.00928933,-0.005288001,-0.008324089,-0.010855504,706.2183858,21.01840434,-210.1840434,-61.37374067,10.08883408,80.71067267,-201.7766817,-196.7322646,-57.17005981,1313.243245,39.08462039,-390.8462039,-114.1270915,18.76061779,150.0849423,-375.2123557,-365.8320468,-106.3101675,0.138343333,0.004117361,-0.041173611,-0.012022694,0.001976333,0.015810667,-0.039526667,-0.0385385,-0.011199222,5.870808328,0.174726438,-1.747264383,-0.5102012,0.08386869,0.670949523,-1.677373808,-1.635439463,-0.475255912,31.89032402,0.949116786,-9.491167862,-2.771421016,0.455576057,3.644608459,-9.111521147,-8.883733119,-2.581597658,6.828703704,-0.055362654,-1.02507716,0.300733025,-1.173611111,-0.486111111,-1.814814815,-1.207175926,-0.346450617,0.003265703,-4.85E-04,-6.69E-04,6.24E-05,-1.47E-04,3.87E-04,-2.20E-04,-2.77E-04,-3.88E-04,29.42576608,0.840736174,-5.531159037,-1.30582427,0.280245391,3.362944694,-8.407361736,-6.557742154,-2.04178785,54.71846854,1.563384816,-10.28542642,-2.42823599,0.521128272,6.253539262,-15.63384816,-12.19440156,-3.796791695,0.005764306,1.65E-04,-0.001083516,-2.56E-04,5.49E-05,6.59E-04,-0.001646944,-0.001284617,-4.00E-04,0.244617014,0.006989058,-0.045980642,-0.010855345,0.002329686,0.02795623,-0.069890575,-0.054514649,-0.016973425,1.328763501,0.037964671,-0.249767575,-0.058966405,0.01265489,0.151858686,-0.379646714,-0.296124437,-0.092199916,0.284529321,-0.002214506,-0.026975715,0.006398575,-0.032600309,-0.02025463,-0.075617284,-0.040239198,-0.012373236,-0.148537827,-0.204722222,0.019092956,-0.044959028,0.118521334,-0.067468904,-0.084964753,-0.118717659,0.028571429,-0.187969925,-0.0443769,0.00952381,0.114285714,-0.285714286,-0.222857143,-0.069387755,0.028571429,-0.187969925,-0.0443769,0.00952381,0.114285714,-0.285714286,-0.222857143,-0.069387755,0.028571429,-0.187969925,-0.0443769,0.00952381,0.114285714,-0.285714286,-0.222857143,-0.069387755,0.028571429,-0.187969925,-0.0443769,0.00952381,0.114285714,-0.285714286,-0.222857143,-0.069387755,0.028571429,-0.187969925,-0.0443769,0.00952381,0.114285714,-0.285714286,-0.222857143,-0.069387755,-0.007783051,-0.094808207,0.02248828,-0.114576271,-0.071186441,-0.265762712,-0.141423729,-0.043486683,1.023588849,1.083520581,0.937330573,1.030667204,0.768508199,0.9036241,1.072475448,1.198690766,0.788571429,1.037593985,1.00668693,0.985714286,0.821428571,1.15,1.182857143,1.126530612,0.788571429,1.037593985,1.00668693,0.985714286,0.821428571,1.15,1.182857143,1.126530612,0.788571429,1.037593985,1.00668693,0.985714286,0.821428571,1.15,1.182857143,1.126530612,0.788571429,1.037593985,1.00668693,0.985714286,0.821428571,1.15,1.182857143,1.126530612,0.788571429,1.037593985,1.00668693,0.985714286,0.821428571,1.15,1.182857143,1.126530612,0.797125424,0.913434434,1.039105662,1.348813559,1.138305085,1.017457627,0.948067797,0.962324455,71.55025114,35.77512557,56.61237966,71.55025114,5.110732225,35.77512557,4.97E-14,5.00E-16,3.57E-17,-49.32581244,108.2219459,7.730138996,6.557857843,71.55025114,35.77512557,56.61237966,71.55025114,5.110732225,35.77512557,4.97E-14,5.00E-16,3.57E-17,-49.32581244,108.2219459,7.730138996,6.557857843,71.55025114,35.77512557,56.61237966,71.55025114,5.110732225,35.77512557,4.97E-14,5.00E-16,3.57E-17,-49.32581244,108.2219459,7.730138996,6.557857843,71.55025114,35.77512557,56.61237966,71.55025114,5.110732225,35.77512557,4.97E-14,5.00E-16,3.57E-17,-49.32581244,108.2219459,7.730138996,6.557857843,71.55025114,35.77512557,56.61237966,71.55025114,5.110732225,35.77512557,4.97E-14,5.00E-16,3.57E-17,-49.32581244,108.2219459,7.730138996,6.557857843,71.55025114,35.77512557,56.61237966,71.55025114,5.110732225,35.77512557,4.97E-14,5.00E-16,3.57E-17,-49.32581244,108.2219459,7.730138996,6.557857843,74.72454856,37.1486401,58.40882895,74.62481195,5.330343711,37.1486401,-0.166666667,0.00512412,3.66E-04,-7.383315075,138.90024,9.921445715,6.907258369,0,11.85,12.15017245,-0.203630474,0.096913018,6.544537109,8.661690314,15,25,18,12,2,6,0,1,0,13,10.93207,3.850897761,3.716525095,3.13415796,2.619181914,2.619181914,2.59111513,2.147051952,0.941428501,1.9906673,1.908624082,1.293026523,1.082250302,1.082250302,0.963502752,0.617647829,0.310513972,3.858824187,3.728170613,3.143076512,2.645815032,2.645815032,2.609812251,2.17015554,1.053336623,1.966610695,1.877359234,1.264882597,1.007167592,1.007167592,0.896138608,0.536430439,0.150156259,3.895813611,3.78121561,3.184577508,2.771820215,2.771820215,2.702447785,2.288417744,1.517793787,1.903669339,1.792217564,1.193392772,0.798620231,0.798620231,0.723114383,0.315276617,0.396843083,3.864770018,3.736840099,3.149757334,2.665925019,2.665925019,2.624121913,2.188056661,1.134811365,1.952042297,1.858100745,1.248119818,0.960278991,0.960278991,0.855374796,0.48562582,0.041902902,3.915287504,3.8083281,3.206451491,2.838078588,2.838078588,2.754190695,2.355706806,1.721464227,1.886082831,1.767462682,1.173665949,0.738564276,0.738564276,0.677288142,0.255855679,0.594311107,3.873585448,3.712309526,3.251598276,2.672117103,2.672117103,2.586838707,2.238469108,1.193442018,1.957377404,1.875035589,1.173907911,0.935833948,0.935833948,0.869235409,0.374686397,0.03498071,0,2,0,10,2,0,0,0,0,0,0,0,0.204124145,0.144337567,0,0,0,0.06415003,0.032075015,0.40824829,0,0,0,0.166666667,0,0,0,0.866025404,1.187287393,1.337429925,0.275783423,0.304558378,0.28008066,9.639981913,6.949489743,5.585421959,4.43265299,3.423034123,2.707908119,1.28445705,0.870790812,0.688570137,0.463299316,0.31030122,0.211078714,0.142626422,0.096711004,0.064222853,0.043539541,7.773502692,4.571367205,2.982050808,1.898753271,1.187309939,0.758903002,0.264043153,0.143186126,0.555250192,0.304757814,0.165669489,0.090416822,0.049471247,0.027103679,0.013202158,0.007159306,16.70913902,23.43918427,22.62745098,22.8,17.99277246,175.8255269,0.696214126,0.976632678,0.942810458,0.95,0.749698852,7.326063623,3.16599,58.219,89.45993032,131.4802725,178.9198606,12.77999005,89.45993032,9.99E-16,7.14E-17,-48.35540639,99.91013751,7.136438393,6.44597962,212,0,0,0,14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,28.33333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.81,0,0,0,0,4.81,0,0,0,0,0,0,0,0,0,0,0,0,0,20.00712396,0,0,6.221851852,0,2.104357521,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.05217876,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.466944444,0,0,0,0,0.466944444,0,0,0,0,0,0,0,0,0,0,0,0,0,1.993747166,0,0,3.110925926,0,1.05217876,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.110925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.493402778,0,0,0,0,0.493402778,0,0,0,0,0,0,0,0,0,0,0,0,0,2.009861111,0,0,3.110925926,0,1.05217876,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,28.33333333,2.023809524,0.493402778,3.110925926,0.254722222,1.05217876,7.18073305,0.614487906,0.610925926,2.522592593,0.614487906,0.610925926,2.522592593,7,0.5,0,0,0.53333,0.7,0.44,0.44,0.7,0.09333,0.09333,0,0,0.71429,0,0,0,0.14286,0,22.5,1.60714,7.5,0.53571,15,1.07143,7.5,0.53571,0,0,5.7494,0.41067,17.32207,11.57266,0.82662,2.34285,0.16735,6.94948,4.60663,0.32904,-0.03548,-0.00253,0.13652,0.00975,0.583333333,43,0,0,0,0,0,0,0,0.979868757,1.650022422,2.054585169,2.688721876,3.022055209,2.855388542,23.51685016,39.60053812,49.31004406,64.52932501,72.52932501,68.52932501,0.213713581,0.359876972,0.448113844,0.586421781,0.659123212,0.622772496,3.605093744,2.934940079,2.530377331,1.896240625,1.562907292,1.729573959,0.194249048,0.327100219,0.407300683,0.533011857,0.599091811,0.566051834,5.973635422,14.0154794,18.87023237,22.03284834,21.67730206,22.20081918,43.36541471,44.0084285,40.77241836,36.15789584,35.85563959,35.62957501,10.51555556,5.777777778,3.591836735,2,14,2,3,1.52,0,0,0,0,19.67152367,9.627407799,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.209,0.216,1.013,1.328,6.4,18,21,24,28,20,20,20,20,16,216,3.17805383,3.688879454,4.26969745,4.789572909,5.332114746,5.364222141,5.814503597,6.123862485,6.528597333,6.710675351,7.999196081,13.78501157,0.444444444,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,9,0.8,1.5,0.666666667,0.125,0.302222222,0.180555556,0.001632653,0.048611111,0.032249937,0,0,0.1,0.037037037,0.008333333,0.030222222,0.018055556,1.63E-04,0.006076389,0.008062484,0,0,0.207950287,50.32729725,78.88440053,100.6545945,7.189613893,50.32729725,1.39E-16,9.91E-18,-51.11911983,80.61658045,5.758327175,6.145586078,0,183.0956565,4.807354922,4.204692619,4.976733742,5.765191103,6.549650742,7.342779189,8.13123655,8.925720274,9.715771471,10.51061377,95.12238947,3.433987204,0,4.634728988,0,6.042632834,0,7.529943371,0,9.049114723,9.300089664,178.0782503,7.419927097,28.59004649,2.042146178,0,0,0,343,15,4.578,66,1.241042779,2.231118425,3.070944299,4.12923831,5.247139831,6.176890494,6.92711718,7.966023639,9.125881668,10.36475349,120.8359882,174.2391055,166.8498992,206.1396291,363.1639663,442.9446475,346.2939703,236.2152223,136.4533602,48.62596079,389.6157548,599.9811505,631.3205931,784.1110844,1254.934657,1568.909625,1369.3791,1122.47643,870.4347236,609.5006417,9.171864814,16.35138491,22.12162195,29.54680246,38.00874419,45.14289545,49.90148719,56.40268898,63.54304868,71.00625877,2.723317559,4.350843938,4.84386821,6.078917245,9.209572574,11.54541454,10.6875487,9.56186446,8.319819463,6.905904036,168.9521556,312.3041703,456.6946925,629.0952956,767.9445854,872.4766454,1028.178598,1252.440191,1513.801028,1807.41818,4.064826759,6.718015013,8.187805987,10.59673013,14.54165609,17.45162665,17.10046758,16.34536955,15.22459008,13.79948665,0.556057563,0.894742753,1.007515654,1.267734432,1.900161738,2.380867943,2.229072748,2.026861893,1.799280566,1.53397004,291.1802822,196.0040527,17.49428321,197.3717366,-132.8581041,-11.12577595,93.80854568,328.8621569,28.62005917,0.596006712,0.401193824,0.035808435,0.403993288,-0.271942596,-0.022772961,142.2567147,95.75817566,8.546867381,96.42636035,-64.90809499,-5.435520303,0.093550622,0.091640258,2.760754844,1.965498453,488.5520188,0,1,0,1217.393719,34.89116964,10.67768289,1316.387203,36.2820507,10.95959614,2090.303769,45.71983999,12.78605204,2.901228337,2.901228337,2001.179362,1831.290312,169.9442243,1.092770135,11.77550676,10.77583142,5.489583502,6.308382131,11.40455985,0.807842267,3.61709534,1.719118271,5.199320326,10.84127816,0.00215151,9.251299297,3.326725797,5.919716261,2.760694923,3.813933178,5.908292,5.390617438,6.917256279,0.670221327,3.182552083,4.753189355,3.8068806,0.898555511,0.9294246,1.799248274,7.80E-08,0.4021693,4.00E-16,7.68E-53,2.84E-111,2.03E-191,2.79E-293,0,0,0,0.3140986,1.719117154,0.437341641,3.491466571,0.001096914,5.919685469,2.096677738,0.981994694,0.281485047,0.382329718,3.318297774,4.409983941,2.861307213,0.249268352,0.658164731,1.879848325,0.290820634,0.07555059,0.006941701,0.015997797,5.49E-10,0.002832511,2.82E-18,5.41E-55,2.00E-113,1.43E-193,1.97E-295,0,0,0,0.988310652,1.719117382,1.409362994,4.273236182,0.00131218,6.599738879,2.207147661,1.986232937,0.563816439,1.082793039,3.7039587,4.487337642,3.689211445,0.334279938,0.852039333,2.466345899,0.932052718,0.243543261,0.069231104,0.140598611,5.72E-09,0.029516951,2.94E-17,5.63E-54,2.08E-112,1.49E-192,2.05E-294,0,0,0,3.414888246,1.719118202,4.907795396,10.13715225,0.002086949,9.047340285,3.201680291,5.616139115,2.529771845,3.603852836,5.699141462,5.287136056,6.668953473,0.644127583,2.914307864,4.577281023,3.564577123,0.848171676,0.828373039,1.605387654,6.95E-08,0.358325606,3.56E-16,6.84E-53,2.53E-111,1.81E-191,2.49E-293,0,0,0,1.451136089,1.719117539,2.076625186,5.023229173,0.001459953,7.066574225,2.324731555,2.67669655,0.824057622,1.563639181,4.011166091,4.5769047,4.257542175,0.39290908,1.080560465,2.868961834,1.394944179,0.358865016,0.149405514,0.297215571,1.24E-08,0.064114762,6.38E-17,1.22E-53,4.53E-112,3.23E-192,4.45E-294,0,0,0,4.365777193,1.719118524,6.278705929,13.73693688,0.002390553,10.00646771,3.846192286,7.04519432,3.705565325,4.591766167,6.740126798,5.823094024,7.836610384,0.767201802,4.304840945,5.404503787,4.734737745,1.085104246,1.354187808,2.613187507,1.14E-07,0.586526128,5.83E-16,1.12E-52,4.14E-111,2.96E-191,4.07E-293,0,0,0,1.777996799,1.568554365,2.481604404,5.952793433,0.001502765,8.824777704,2.848256802,3.130513393,1.141135685,2.331199621,3.660849275,4.251166,4.591942447,0.392228042,1.283529599,3.110386626,1.729675562,0.438843617,0.228177713,0.449851638,1.90E-08,0.098190539,9.77E-17,1.87E-53,6.94E-112,4.95E-192,6.81E-294,0,0,0,12.53775344,1.977362097,3.17E-04,0.863753369,0.136224817,0.645721576,0.51933936,0.308965927,14.51543217,24.79627439,39.31955639,0.795630054,1.474026864,10.28322665,0.954132806,1.66E-04,0.91507925,0.084905951,0.43438167,0.120931371,0.085523349,11.23752576,9.813432757,21.05259026,0.872618875,0.640836389,10.94422294,1.254133737,2.10E-04,0.897172825,0.102809922,0.492017072,0.208928436,0.136553782,12.19856714,13.72808646,25.92954224,0.845759238,0.837499289,12.45037286,1.937704632,3.11E-04,0.865306982,0.134671416,0.636752664,0.498718832,0.297701991,14.38838831,24.12961723,38.52550405,0.797960473,1.433173486,11.31844929,1.423979129,2.35E-04,0.888232589,0.111748936,0.526238934,0.269345776,0.170768498,12.74266384,16.1202354,28.86669357,0.832348883,0.966353208,12.82856407,2.109345446,3.36E-04,0.858773145,0.141204363,0.676022704,0.590973848,0.347965286,14.93824549,27.064892,42.01222899,0.788159718,1.614961838,12.42465945,1.931811541,3.10E-04,0.865420979,0.134557429,0.634125229,0.495689853,0.296182361,14.35678098,24.0065509,38.37077232,0.798131468,1.425997443 +UMLYSI0043,L,biphenyl,C1=CC=C(C=C1)C2=CC=CC=C2,aromatic,C12H10,92-52-4,7095,PubChem,,612.5,0,2.4156,5.83512336,59.4714,27.78793,12,12,22,12,10,0,12,0,0,0,0,0,0,0,0,0,1741.330092,1996.504453,2550.367696,2318.396318,1717.125658,1380.169064,778.898404,249.249337,28.278432,5393.040265,6653.085886,9071.002755,8931.585373,7008.044533,5702.064264,3778.523424,1590.079788,353.8082105,157.670832,169.203028,263.000896,330.138104,285.740776,242.189216,197.791888,118.229284,41.10912,37.91292905,47.3911431,66.8932862,69.32656668,55.94387806,45.91190082,32.5292122,15.25415772,4.005540239,3370.708793,3179.552106,5091.160652,6929.403347,6115.980827,5249.901924,4436.479404,2831.115954,1045.915704,55.55555556,68.11111111,97.33333333,105.3333333,88.66666667,75.33333333,56,28,8,79.15136782,86.80454143,70.84354711,50.39991996,42.92814145,40.59320776,27.81780014,14.66172571,4.713072,245.1381939,289.2646038,251.9722988,194.1648994,175.2011133,167.7077725,134.9472652,93.53410519,58.96803508,7.166856,7.356653391,7.305580444,7.176915304,7.1435194,7.123212235,7.063996,6.954663765,6.85152,1.723314957,2.060484483,1.858146839,1.507099276,1.398596951,1.350350024,1.161757579,0.897303395,0.66759004,153.2140361,138.2413959,141.4211292,150.6392032,152.8995207,154.4088801,158.445693,166.5362326,174.3192839,2.525252525,2.961352657,2.703703704,2.289855072,2.216666667,2.215686275,2,1.647058824,1.333333333,0.073359284,-0.003706698,-0.028534076,-0.004065114,-0.002726515,-1.56E-04,-0.013056063,0.0041138,0.007637013,660.3600491,25.01363822,-200.1091058,-82.04473337,-122.0665545,-52.0283675,-92.05018866,73.03982361,84.04582443,1227.96771,46.5139284,-372.1114272,-152.5656851,-226.9879706,-96.74897106,-171.1712565,135.8206709,156.2867994,0.12936,0.0049,-0.0392,-0.016072,-0.023912,-0.010192,-0.018032,0.014308,0.016464,5.489587008,0.207938902,-1.663511215,-0.682039598,-1.014741841,-0.432512916,-0.765215159,0.607181593,0.69867471,29.81952376,1.129527415,-9.03621932,-3.704849921,-5.512093785,-2.349417023,-4.156660887,3.298220052,3.795212114,5.050505051,-0.300275482,-1.840220386,-0.17630854,-0.314049587,-0.148760331,-0.932966024,0.359963269,0.561983471,0.003334513,-1.61E-04,-7.93E-04,-8.84E-05,-6.82E-05,-4.59E-06,-4.66E-04,2.42E-04,0.001272835,30.01636587,1.087549488,-5.558586272,-1.78358116,-3.051663863,-1.530246103,-3.287506738,4.296460212,14.0076374,55.81671408,2.022344713,-10.33642853,-3.316645329,-5.674699264,-2.845557972,-6.113259161,7.98945123,26.0477999,0.00588,2.13E-04,-0.001088889,-3.49E-04,-5.98E-04,-3.00E-04,-6.44E-04,8.42E-04,0.002744,0.249526682,0.009040822,-0.046208645,-0.014826948,-0.025368546,-0.012720968,-0.027329113,0.035716564,0.116445785,1.355432898,0.049109888,-0.251006092,-0.080540216,-0.137802345,-0.069100501,-0.148452175,0.194012944,0.632535352,0.229568411,-0.013055456,-0.051117233,-0.003832794,-0.00785124,-0.004375304,-0.033320215,0.02117431,0.093663912,-0.048331134,-0.237699856,-0.026502234,-0.020441628,-0.001376964,-0.13983691,0.072570795,0.38171557,0.036231884,-0.185185185,-0.05942029,-0.101666667,-0.050980392,-0.10952381,0.143137255,0.466666667,0.036231884,-0.185185185,-0.05942029,-0.101666667,-0.050980392,-0.10952381,0.143137255,0.466666667,0.036231884,-0.185185185,-0.05942029,-0.101666667,-0.050980392,-0.10952381,0.143137255,0.466666667,0.036231884,-0.185185185,-0.05942029,-0.101666667,-0.050980392,-0.10952381,0.143137255,0.466666667,0.036231884,-0.185185185,-0.05942029,-0.101666667,-0.050980392,-0.10952381,0.143137255,0.466666667,-0.056869565,-0.222666667,-0.016695652,-0.0342,-0.019058824,-0.145142857,0.092235294,0.408,0.937152124,1.092909364,0.910344937,0.949667027,1.020107851,1.207277415,1.022703949,0.727469029,0.836956522,1.069444444,1.004347826,1.05875,1.019117647,1.1,0.905882353,0.641666667,0.836956522,1.069444444,1.004347826,1.05875,1.019117647,1.1,0.905882353,0.641666667,0.836956522,1.069444444,1.004347826,1.05875,1.019117647,1.1,0.905882353,0.641666667,0.836956522,1.069444444,1.004347826,1.05875,1.019117647,1.1,0.905882353,0.641666667,0.836956522,1.069444444,1.004347826,1.05875,1.019117647,1.1,0.905882353,0.641666667,0.944086957,1.078,0.913956522,0.98175,1.032705882,1.188,0.978352941,0.693,49.0807446,24.5403723,37.90482833,49.0807446,4.09006205,24.5403723,1.07E-14,5.55E-17,4.63E-18,-44.9159373,58.48804452,4.87400371,4.882586839,49.0807446,24.5403723,37.90482833,49.0807446,4.09006205,24.5403723,1.07E-14,5.55E-17,4.63E-18,-44.9159373,58.48804452,4.87400371,4.882586839,49.0807446,24.5403723,37.90482833,49.0807446,4.09006205,24.5403723,1.07E-14,5.55E-17,4.63E-18,-44.9159373,58.48804452,4.87400371,4.882586839,49.0807446,24.5403723,37.90482833,49.0807446,4.09006205,24.5403723,1.07E-14,5.55E-17,4.63E-18,-44.9159373,58.48804452,4.87400371,4.882586839,49.0807446,24.5403723,37.90482833,49.0807446,4.09006205,24.5403723,1.07E-14,5.55E-17,4.63E-18,-44.9159373,58.48804452,4.87400371,4.882586839,49.0807446,24.5403723,37.90482833,49.0807446,4.09006205,24.5403723,1.07E-14,5.55E-17,4.63E-18,-44.9159373,58.48804452,4.87400371,4.882586839,54.96833283,27.27335405,43.17114555,54.94055505,4.578379588,27.27335405,-0.055555556,0.006813328,5.68E-04,-5.98664953,54.35369272,4.529474393,4.794615065,0,11.85,12.1501417,-0.207649793,0.092587243,6.636898437,9.400572611,13,23,17,11,1,6,0,0,0,12,10.93207,3.879853034,3.59688308,2.803693984,2.619181914,2.619181914,2.266033763,0.941428501,0.941428501,2.031481834,1.82212017,1.114628882,1.082250302,1.082250302,0.802202505,0.310513972,0.310513972,3.888962508,3.610673704,2.820259897,2.645815032,2.645815032,2.293956355,1.053336623,1.053336623,2.006499463,1.78588592,1.059714863,1.007167592,1.007167592,0.711443203,0.150156259,0.150156259,3.930523779,3.673332884,2.900004248,2.771820215,2.771820215,2.432899526,1.517793787,1.517793787,1.939166759,1.68628746,0.917375808,0.798620231,0.798620231,0.463671366,0.396843083,0.396843083,3.895746174,3.620933504,2.832817883,2.665925019,2.665925019,2.315402584,1.134811365,1.134811365,1.991187077,1.76346998,1.026468458,0.960278991,0.960278991,0.654928651,0.041902902,0.041902902,3.951842614,3.705226153,2.943286024,2.838078588,2.838078588,2.509576103,1.721464227,1.721464227,1.919732867,1.65711688,0.878676357,0.738564276,0.738564276,0.395245533,0.594311107,0.594311107,3.885167207,3.6471986,2.819737464,2.708963957,2.708963957,2.330114246,1.220276214,1.220276214,1.997114374,1.729936826,1.02173006,0.902163942,0.902163942,0.611571179,0.058638057,0.058638057,0,0,0,10,2,0,0,0,0,0,0,0,0.204124145,0.11785113,0,0,0,0.06415003,0.032075015,0.333333333,0,0.083333333,0,0.166666667,0,0.027777778,0,0.942809042,1.5,1.885618083,0.384900179,0.5,0.513200239,8.22576835,5.966326495,4.796180193,3.966326495,3.211142626,2.558078205,1.178511302,0.833333333,0.685480696,0.458948192,0.299761262,0.198316325,0.133797609,0.091359936,0.058925565,0.041666667,6.773502692,4.071367205,2.732050808,1.88091147,1.261205885,0.829344624,0.32075015,0.185185185,0.564458558,0.313182093,0.170753175,0.094045574,0.052550245,0.029619451,0.016037507,0.009259259,14.70913902,21.43918427,20.62745098,20.8,15.99277246,162.3401377,0.668597228,0.974508376,0.937611408,0.945454545,0.726944203,7.379097169,3.3536,51.878,70.38474912,101.4858646,140.7694982,11.73079152,70.38474912,5.55E-17,4.63E-18,-44.9159373,75.88583335,6.323819446,5.195076022,140,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.33333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.5,0,0,0,0,4.5,0,0,0,0,0,0,0,0,0,0,0,0,0,20.7812963,0,0,0,0,2.552037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.276018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,2.034166667,0,0,0,0,1.276018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,1.276018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.33333333,1.944444444,0.45,2.12037037,0.25,1.276018519,6.724015,0.390648148,0.12037037,1.562592593,0.390648148,0.12037037,1.562592593,6,0.5,0,0,0.51818,0.7,0.44118,0.44118,0.7,0.07701,0.07701,0,0,0.71429,0,0,0,0.16667,0,18.5,1.54167,6.5,0.54167,12,1,5.5,0.45833,0,0,4.94251,0.41188,14.15801,9.2155,0.76796,2.09345,0.17445,5.96631,3.87287,0.32274,-0.05231,-0.00436,0.11969,0.00997,0.545454545,37,0,0,0,0,0,0,0,0.994030211,1.348587896,1.789929075,2.663532755,3.095795255,3.095795255,21.86866465,29.66893371,39.37843966,58.59772061,68.10749561,68.10749561,0.222905136,0.302412507,0.401380541,0.597280771,0.694212967,0.694212967,3.465401407,3.110843723,2.669502543,1.795898864,1.363636364,1.363636364,0.20461797,0.277602547,0.36845123,0.548279781,0.637259647,0.637259647,6.244890829,10.49958304,15.79567719,21.42762189,21.86326685,21.86326685,39.51325774,39.96721934,38.08033982,30.6837575,29.5034071,29.5034071,8.591715976,4.296875,2.25,0,12,0,2.78,1.3242,0,0,0,0,15.69030319,9.490205613,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.219,0.22,1.019,1.528,6.308,16,20,24,28,20,20,16,12,8,189,2.995732274,3.526360525,4.085976313,4.627420795,5.154013877,5.029620594,5.432902891,5.614495784,5.731873777,5.731873777,7.417599171,8.804398148,0.428571429,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.076923077,1,0.076923077,0,4,7,0.75,1,0.888888889,0.375,0.062222222,0.138888889,0.078367347,0,0,0,0,0.076923077,0.055555556,0.026785714,0.006222222,0.017361111,0.019591837,0,0,0,0,0.202439517,33.87359092,51.31509801,67.74718183,5.645598486,33.87359092,4.72E-16,3.93E-17,-42.3478579,66.34663729,5.528886441,5.033871694,0,153.7766046,4.584962501,4.077537444,4.875197323,5.686975356,6.502790046,7.323170718,8.144098463,8.966866554,9.789366553,10.61277871,90.97878117,3.295836866,0,4.510859507,0,5.958424693,0,7.497207223,0,9.076466063,9.311361486,154.0782503,7.003556833,24.59443372,2.049536144,0,0,0,198,14,3.918,58,1.240225591,2.217132049,3.033576072,3.942397078,4.670614279,5.621282045,6.722178929,7.913392022,8.907348258,0,115.6570577,164.019137,155.2976105,179.6241183,208.4516585,168.2999464,100.2233415,36.90145808,9.0504359,0,377.4447198,574.8934457,600.576862,711.4559895,836.5745955,797.6291741,641.9716062,463.6584736,276.8737368,0,9.149508183,16.21967441,21.81684417,28.17365341,33.38818113,39.81731792,46.81458295,54.20455016,59.84369861,0,2.656879667,4.207857524,4.656769535,5.613266828,6.63036278,6.784105773,6.138302439,5.25908244,3.960321983,0,169.8567961,312.164818,453.451436,602.5250112,712.704006,882.5616178,1114.374371,1380.588988,1647.125926,0,3.774708188,6.085796428,7.05343649,8.828896842,10.75798403,11.58424758,11.23147273,10.51558144,8.907348258,0,0.543247547,0.866859673,0.970461632,1.174140234,1.387810042,1.43760755,1.327487803,1.168392607,0.912112462,0,234.0291486,145.114056,14.48497455,201.7745478,-125.1140005,-11.56248,32.25460087,270.2280565,26.04745455,0.537005883,0.332980324,0.033237383,0.462994117,-0.287087975,-0.026531395,101.990768,63.241242,6.312605452,87.93409375,-54.52514389,-5.038971523,0.100572313,0.099541603,1.172504157,3.781582608,435.8036964,0,1,0,1032.850532,32.13799204,10.10832413,1131.844016,33.64288953,10.42146705,1823.735458,42.70521582,12.21763877,2.419192305,2.419192305,965.0753466,795.3581125,169.7715964,1.213384677,5.684551286,4.684871495,4.547234915,5.122357316,8.907348258,0.738915837,3.605824377,2.542013981,5.198678201,9.581269674,0.002583263,7.789131285,11.11285126,5.592291778,3.117367967,1.886335326,7.633021392,1.314971874,2.07035943,0.068615696,2.91409608,6.35E-08,0.423825047,5.57E-16,1.41E-52,6.91E-111,6.52E-191,1.19E-292,0,0,0,0,0,0,0,0,0.302827638,1.734686622,0.437118963,1.914945695,0.001528714,4.551164147,5.713433273,1.031619517,0.723164625,0.345741919,1.593800595,0.026334791,0.17391033,0.001186151,0.024170975,4.47E-10,0.002985034,3.92E-18,9.95E-55,4.87E-113,4.59E-193,8.35E-295,0,0,0,0,0,0,0,0,0.97703969,1.788633918,1.409054146,2.761249056,0.00174397,5.212102271,6.404507458,1.793444328,0.988217749,0.578400951,2.657894395,0.116676474,0.561016022,0.006841852,0.223247392,4.66E-09,0.031106361,4.09E-17,1.04E-53,5.07E-112,4.78E-192,8.70E-294,0,0,0,0,0,0,0,0,3.403617284,2.453376537,4.907178754,8.857741219,0.002518705,7.590905257,10.63688259,5.25326672,2.891674887,1.763080014,7.203645407,1.174988092,1.954260175,0.061619328,2.598918152,5.66E-08,0.377620486,4.96E-16,1.26E-52,6.16E-111,5.81E-191,1.06E-292,0,0,0,0,0,0,0,0,1.439865127,1.858579347,2.076257348,3.555564171,0.001891736,5.665815573,7.000961079,2.366624139,1.236576155,0.762404846,3.438434111,0.229970408,0.826751944,0.013131778,0.475949335,1.01E-08,0.067567172,8.88E-17,2.25E-53,1.10E-111,1.04E-191,1.89E-293,0,0,0,0,0,0,0,0,4.35450623,2.914722457,6.277969675,12.5487967,0.002822296,8.523073045,13.04026268,6.915474591,4.042844568,2.375554932,9.290545964,1.902636849,2.500222714,0.097776927,4.238040547,9.26E-08,0.618108999,8.13E-16,2.06E-52,1.01E-110,9.51E-191,1.73E-292,0,0,0,0,0,0,0,0,1.90752048,1.899079252,2.687775605,4.251451875,0.002083793,5.788989807,7.63718863,2.779890504,1.515184925,0.973992169,4.315882862,0.36827291,1.095269936,0.020566284,0.783294599,1.68E-08,0.1120974,1.47E-16,3.74E-53,1.83E-111,1.72E-191,3.14E-293,0,0,0,0,0,0,0,0,6.502475625,2.156036159,3.89E-04,0.750958544,0.248996516,0.549749015,0.566105453,0.290739805,8.658900922,14.02294193,22.68729839,0.626437815,1.406594273,5.161709472,1.101565733,1.87E-04,0.824098477,0.175871705,0.346430492,0.147809436,0.068327345,6.263461972,5.687132052,11.95165597,0.736147715,0.562567273,5.571035036,1.423500598,2.49E-04,0.796455574,0.203508859,0.403545785,0.246814509,0.12035368,6.994784416,7.932111823,14.92886918,0.694683361,0.770713974,6.453318944,2.117378071,3.82E-04,0.752917937,0.247037523,0.54146934,0.545991785,0.27997272,8.571078766,13.66738789,22.24368296,0.629376906,1.367433845,5.796620161,1.600918335,2.83E-04,0.783557737,0.216404027,0.436884699,0.312160579,0.155049906,7.397821358,9.282007978,16.68245427,0.675336605,0.904095183,6.66454498,2.283490654,4.13E-04,0.744770954,0.25518284,0.577492113,0.63499489,0.32762294,8.94844911,15.22212597,24.17686753,0.617156431,1.540109942,6.458137317,2.11594422,3.81E-04,0.753182773,0.246772816,0.542278316,0.545253168,0.278599228,8.574462338,13.66832334,22.24798934,0.629774159,1.366130712 +UMLYSI0044,L,diphenylmethane,C1=CC=C(C=C1)CC2=CC=CC=C2,aromatic,C13H12,101-81-5,7580,PubChem,,612.5,0,2.8718,8.24723524,64.0724,30.881516,12,12,25,13,12,0,13,0,0,0,0,0,0,0,0,0,1887.626341,2164.98275,2744.076233,2415.253022,1773.682522,1672.761562,1380.169064,778.898404,249.249337,5878.724656,7306.076021,9984.549867,9849.478304,7715.660954,6673.433045,5702.064264,3778.523424,1590.079788,178.648276,190.978808,305.730404,387.07916,367.959016,284.144104,242.189216,197.791888,118.229284,41.59105486,52.40713172,74.58097634,78.23492116,63.95495854,53.26815244,45.91190082,32.5292122,15.25415772,3867.338453,3612.591558,6015.362851,8154.383728,8207.812234,6243.161244,5249.901924,4436.479404,2831.115954,59.80555556,73.33333333,106.4444444,116.6666667,99.33333333,84.33333333,75.33333333,56,28,75.50505364,83.26856731,65.3351484,44.72690781,34.10927927,41.81903905,40.59320776,27.81780014,14.66172571,235.1489862,281.0029239,237.7273778,182.3977464,148.3780953,166.8358261,167.7077725,134.9472652,93.53410519,7.14593104,7.345338769,7.279295333,7.168132593,7.076134923,7.1036026,7.123212235,7.063996,6.954663765,1.663642194,2.015658912,1.775737532,1.448794836,1.229903049,1.331703811,1.350350024,1.161757579,0.897303395,154.6935381,138.9458291,143.222925,151.0071061,157.842543,156.0790311,154.4088801,158.445693,166.5362326,2.392222222,2.820512821,2.534391534,2.160493827,1.91025641,2.108333333,2.215686275,2,1.647058824,0.080935766,0.002308286,-0.033955761,-0.026584037,0.009023633,0.01838616,-0.01078903,-0.014256814,0.003953284,755.4518962,27.89360847,-218.3062274,-314.5779178,17.04609407,127.8457055,-58.88650678,-110.024789,48.03899237,1404.79506,51.86935606,-405.9497519,-584.9710711,31.69793981,237.7345486,-109.5019739,-204.5957933,89.33055765,0.14798784,0.005464166,-0.042764691,-0.061623654,0.003339213,0.025044096,-0.011535462,-0.021553101,0.009410509,6.280087537,0.231880155,-1.81478427,-2.615092862,0.141704539,1.062784045,-0.489524772,-0.91463839,0.399349156,34.11353518,1.259576683,-9.85793696,-14.20522593,0.769741307,5.773059799,-2.659106332,-4.968330251,2.169270955,5.537777778,0.118488889,-1.7768,-2.830488889,0.541422222,1.728444444,-0.160266667,-1.086755556,0.075422222,0.003237431,8.88E-05,-8.08E-04,-4.92E-04,1.74E-04,4.60E-04,-3.17E-04,-5.09E-04,2.33E-04,30.21807585,1.072831095,-5.19776732,-5.825516996,0.327809501,3.196142638,-1.731956082,-3.929456749,2.825823081,56.19180239,1.994975233,-9.665470284,-10.83279761,0.609575766,5.943363715,-3.220646291,-7.306992619,5.254738685,0.005919514,2.10E-04,-0.001018207,-0.001141179,6.42E-05,6.26E-04,-3.39E-04,-7.70E-04,5.54E-04,0.251203501,0.008918468,-0.043209149,-0.048427646,0.002725087,0.026569601,-0.014397787,-0.032665657,0.023491127,1.364541407,0.048445257,-0.234712785,-0.263059739,0.014802717,0.144326495,-0.07820901,-0.177440366,0.127604174,0.221511111,0.004557265,-0.042304762,-0.052416461,0.010411966,0.043211111,-0.004713725,-0.038812698,0.004436601,0.027423052,-0.249725968,-0.152064103,0.053601582,0.141981109,-0.09801736,-0.157276549,0.071830447,0.035502959,-0.172008547,-0.192782526,0.010848126,0.105769231,-0.057315234,-0.13003663,0.093514329,0.035502959,-0.172008547,-0.192782526,0.010848126,0.105769231,-0.057315234,-0.13003663,0.093514329,0.035502959,-0.172008547,-0.192782526,0.010848126,0.105769231,-0.057315234,-0.13003663,0.093514329,0.035502959,-0.172008547,-0.192782526,0.010848126,0.105769231,-0.057315234,-0.13003663,0.093514329,0.035502959,-0.172008547,-0.192782526,0.010848126,0.105769231,-0.057315234,-0.13003663,0.093514329,0.020573528,-0.190982573,-0.236631294,0.04700426,0.195074238,-0.02127986,-0.17521784,0.020028798,0.891899821,1.142351361,1.057208439,0.830625721,0.787001996,1.142406373,1.273202254,1.062102091,0.887573964,1.098901099,1.13960114,0.961538462,0.865384615,1.018099548,1.098901099,0.904977376,0.887573964,1.098901099,1.13960114,0.961538462,0.865384615,1.018099548,1.098901099,0.904977376,0.887573964,1.098901099,1.13960114,0.961538462,0.865384615,1.018099548,1.098901099,0.904977376,0.887573964,1.098901099,1.13960114,0.961538462,0.865384615,1.018099548,1.098901099,0.904977376,0.887573964,1.098901099,1.13960114,0.961538462,0.865384615,1.018099548,1.098901099,0.904977376,0.916779849,1.083467095,1.141430355,0.858902334,0.785513644,1.07638561,1.238248108,1.019733736,64.07283282,32.03641641,50.93687849,64.07283282,4.928679448,32.03641641,4.26E-14,7.49E-16,5.76E-17,-45.27543548,2000044.952,153849.6117,18.86128428,64.07283282,32.03641641,50.93687849,64.07283282,4.928679448,32.03641641,4.26E-14,7.49E-16,5.76E-17,-45.27543548,2000044.952,153849.6117,18.86128428,64.07283282,32.03641641,50.93687849,64.07283282,4.928679448,32.03641641,4.26E-14,7.49E-16,5.76E-17,-45.27543548,2000044.952,153849.6117,18.86128428,64.07283282,32.03641641,50.93687849,64.07283282,4.928679448,32.03641641,4.26E-14,7.49E-16,5.76E-17,-45.27543548,2000044.952,153849.6117,18.86128428,64.07283282,32.03641641,50.93687849,64.07283282,4.928679448,32.03641641,4.26E-14,7.49E-16,5.76E-17,-45.27543548,2000044.952,153849.6117,18.86128428,64.07283282,32.03641641,50.93687849,64.07283282,4.928679448,32.03641641,4.26E-14,7.49E-16,5.76E-17,-45.27543548,2000044.952,153849.6117,18.86128428,76.26759927,37.8637755,62.35106248,76.20454865,5.861888357,37.8637755,-0.117094017,0.004427427,3.41E-04,-7.045917706,244.7447146,18.82651651,7.150280392,0,11.85,12.15015697,-0.20988415,0.090303206,6.596824219,9.079993031,14,26,20,14,2,6,0,0,0,12,13.118484,3.843525291,3.685571875,2.962419617,2.619181914,2.619181914,2.504002052,1.837312481,0.941428501,2.023761737,1.887024474,1.351998901,1.082250302,1.082250302,0.918665126,0.713889694,0.310513972,3.854603472,3.697839778,2.984626541,2.645815032,2.645815032,2.524959487,1.89882987,1.053336623,1.994693233,1.85438747,1.287572817,1.007167592,1.007167592,0.844854126,0.596209254,0.150156259,3.904757861,3.753641659,3.089475183,2.771820215,2.771820215,2.62904968,2.171125304,1.517793787,1.915104702,1.765197588,1.111814708,0.798620231,0.798620231,0.652258884,0.22473876,0.396843083,3.862833797,3.706968874,3.001371124,2.665925019,2.665925019,2.541019993,1.944451978,1.134811365,1.976753329,1.834252271,1.247679554,0.960278991,0.960278991,0.799840051,0.518939223,0.041902902,3.930226228,3.782107253,3.144779105,2.838078588,2.838078588,2.687104756,2.301003751,1.721464227,1.891798828,1.739187207,1.061792832,0.738564276,0.738564276,0.600771853,0.102490207,0.594311107,3.859935902,3.740025958,2.969976343,2.725794533,2.725794533,2.553378329,1.952401492,1.232550919,1.984393509,1.795062866,1.257472569,0.886825992,0.886825992,0.763102097,0.463388928,0.069420137,0,0,0,10,2,0,1,0,0,0,0,0,0.204124145,0.144337567,0,0,0,0.06415003,0.045360921,0.40824829,0,0,0,0.23570226,0,0,0,0.81305253,1.279039102,1.579084876,0.390016657,0.507867787,0.51535522,8.932875131,6.449489743,5.24377395,4.116156409,3.317088374,2.632993162,1.231484176,0.833333333,0.687144241,0.460677839,0.308457291,0.20580782,0.138212016,0.09403547,0.061574209,0.041666667,7.480609473,4.528473986,3.147973815,2.093897615,1.427425663,0.95028331,0.404991523,0.226804606,0.575431498,0.323462428,0.18517493,0.104694881,0.059476069,0.03393869,0.020249576,0.01134023,16.25096682,24.32702112,23.35294118,23.56,17.79132695,185.3683928,0.650038673,0.973080845,0.934117647,0.9424,0.711653078,7.414735713,3.0898,54.669,79.59091319,115.9883525,159.1818264,12.24475588,79.59091319,5.55E-16,4.27E-17,-45.66557145,2000049.405,153849.9543,18.86128717,174,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,1,0,0,10,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.80388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.306388889,0,0,0,0,4.306388889,0,0,0,0,0,0,0,0,0,0,1.029444444,0,0,21.06555556,0,0,0,0,2.738333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.369166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,0,0,0,0.422222222,0,0,0,0,0,0,0,0,0,0,1.029444444,0,0,2.050092593,0,0,0,0,1.369166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.159722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.44,0,0,0,0,0.44,0,0,0,0,0,0,0,0,0,0,1.029444444,0,0,2.159722222,0,0,0,0,1.369166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,24.83333333,1.91025641,0.518611111,2.159722222,0.1875,1.029444444,7.34246,0.470555556,0.159722222,2.131111111,0.470555556,0.159722222,2.131111111,6.5,0.5,0,0,0.508,0.7,0.44054,0.44054,0.7,0.06746,0.06746,0,0,0.71429,0,0,0,0.15385,0,19,1.46154,7,0.53846,12,0.92308,5,0.38462,0,0,6.15695,0.47361,15.71889,9.56194,0.73553,2.48511,0.19116,6.44948,3.96436,0.30495,-0.03548,-0.00273,0.13652,0.0105,0.52,40,0,0,0,0,0,0,0.076923077,0.998845536,1.826313714,2.214693952,2.98346519,3.36385619,3.36385619,24.9711384,45.65784285,55.36734879,74.58662974,84.09640474,84.09640474,0.215089679,0.393275252,0.476908384,0.642454259,0.724367003,0.724367003,3.645010654,2.817542476,2.429162238,1.660391,1.28,1.28,0.199769107,0.365262743,0.44293879,0.596693038,0.672771238,0.672771238,6.399164975,12.89910622,17.55966907,22.5157804,22.89914797,22.89914797,44.36419974,42.20963107,38.42460604,30.49923289,29.28347695,29.28347695,9.551020408,5.024221453,3,0,6,0,2.89,1.4651,0,0,0,0,17.65505994,9.650677328,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.181,0.184,0.979,1.288,6.567,17,20,24,28,20,20,20,16,12,204,3.044522438,3.555348061,4.034240638,4.535284059,5.029620594,4.721841493,5.029620594,5.432902891,5.614495784,5.731873777,7.272127088,7.05200674,0.5,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.142857143,2,0.142857143,0,4,8,1,1.5,0.444444444,0.375,0.302222222,0.013888889,0.078367347,0.048611111,0,0,0,0.107142857,0.026143791,0.026785714,0.030222222,0.001388889,0.009795918,0.012152778,0,0,0,0.21363217,41.71068999,64.46310845,83.42137999,6.41702923,41.71068999,5.55E-16,4.27E-17,-45.66557145,2000047.605,153849.8158,18.861286,0,171.0725892,4.700439718,4.143134726,4.919980926,5.720311777,6.51174533,7.319202459,8.115221973,8.924922401,9.722505099,10.53297582,92.91000051,3.36729583,0,4.574710979,0,5.993961427,0,7.496097345,0,9.032289682,9.278559611,168.0939004,6.723756015,26.5915089,2.045500685,0,0,0,264,14,4.018,62,1.24955473,2.227442091,3.063832702,3.916733001,4.749981733,5.261734498,6.045787736,6.956392851,7.912604357,8.742306208,112.9878191,154.1183032,141.1621,140.9377553,204.9676242,229.2868833,177.6427217,103.1919977,37.10659346,8.882742615,372.0146303,550.1531653,573.7889767,602.5650886,802.9291512,926.9014638,847.2741747,660.6837184,465.1872382,271.7436119,9.207006951,16.24523886,22.00861963,27.76562874,33.73500199,37.57976929,42.79629786,48.42869762,54.20666993,58.73486953,2.631998267,4.069379727,4.539778794,4.949206495,6.366231355,7.375482275,7.228822436,6.323278694,5.271152806,3.886942158,171.8395622,317.0211146,459.1167171,614.583813,742.3270154,805.337863,951.2768339,1154.552146,1379.852971,1616.606737,3.62032211,5.746694908,6.715123532,7.607837234,10.01058722,11.99351396,12.36885742,11.57981853,10.53336156,8.742306208,0.538697228,0.840085364,0.949271661,1.043161778,1.334049702,1.544956628,1.532742282,1.36780588,1.170866877,0.895212156,265.9733863,183.7928837,15.30766636,172.7788911,-119.3936396,-9.338118918,93.19449522,303.1865233,24.64578528,0.606204002,0.418898985,0.034889087,0.393795998,-0.272120843,-0.021283351,116.696429,80.6395463,6.716273478,75.80713197,-52.3842313,-4.097120943,0.089778173,0.089348334,0,1.562295838,438.7522775,0,1,0,1074.465145,32.77903515,10.24229886,1192.832701,34.53741017,10.60538679,1941.538076,44.06288774,12.47523219,1.779035516,1.76159419,1240.15156,1037.553157,205.965119,1.195265566,6.021172742,5.037518787,4.900311871,5.135181678,9.297929097,0.81063294,4.16360046,4.008393714,5.592975542,12.44847429,0.25990022,8.348659877,6.414407394,9.162610615,5.868311929,2.599002317,7.593068232,4.022347847,2.736159967,1.739800258,1.648543956,0.007447813,0.126967196,0.018729114,3.93E-22,1.76E-63,1.52E-126,2.54E-211,8.193516E-318,0,0,0,0,0,0,0,0.349613543,3.276345531,0.467352326,5.815955529,0.032526631,2.147392854,2.507830158,1.906883487,3.223628551,1.291702945,1.764813511,0.369536701,0.988971431,0.058849906,0.051891556,4.08E-04,8.94E-04,1.32E-04,2.76E-24,1.24E-65,1.07E-128,1.79E-213,5.7707E-320,0,0,0,0,0,0,0,1.128129584,3.42576647,1.508720756,6.415311906,0.078561939,2.98797509,3.298292762,3.027290796,3.452682418,1.535012272,2.927799402,0.999133447,1.321096406,0.247277246,0.224482775,0.001460829,0.009318674,0.001374611,2.88E-23,1.29E-64,1.12E-127,1.87E-212,6.01357E-319,0,0,0,0,0,0,0,3.930110914,3.963576231,5.277461987,11.77552547,0.245847382,7.818590972,6.17278976,8.59083726,5.596461792,2.5106433,7.226826332,3.757681374,2.620526288,1.58216932,1.496558653,0.006880879,0.113125486,0.016687303,3.50E-22,1.57E-63,1.36E-126,2.27E-211,7.300274E-318,0,0,0,0,0,0,0,1.66255644,3.528340953,2.225036671,7.050772624,0.110275522,3.691267608,3.842985077,3.903497152,3.702198443,1.70902552,3.734076131,1.46578058,1.556368341,0.422557508,0.388484992,0.002297494,0.020241405,0.002985839,6.26E-23,2.81E-64,2.43E-127,4.06E-212,1.30623E-318,0,0,0,0,0,0,0,5.028107155,4.174334969,6.763140617,15.24315801,0.312082778,10.48207044,7.311801628,11.42449084,6.999684366,2.93561077,8.959815919,5.048891039,3.17414589,2.385572073,2.272861873,0.00970131,0.185169723,0.027314653,5.72E-22,2.57E-63,2.22E-126,3.71E-211,1.194947E-317,0,0,0,0,0,0,0,2.205679103,3.193228231,2.955753419,7.045082178,0.14509857,4.687501074,4.396353052,4.884157207,4.020975299,2.004884824,4.59785245,2.029641127,1.912951286,0.642656083,0.595352019,0.003309389,0.034794307,0.005132558,1.08E-22,4.82E-64,4.18E-127,6.97E-212,2.245365E-318,0,0,0,0,0,0,0,7.206554172,2.23924143,0.06627986,0.757621636,0.235410394,0.522702475,0.554791259,0.080446649,9.512075462,16.76328068,27.34492847,0.636432454,1.157940383,6.162337668,1.215252867,0.01000781,0.834146279,0.164499044,0.38219896,0.163396473,0.001834083,7.387598346,7.562632046,15.02517687,0.751219418,0.547429516,6.490229687,1.536805903,0.027678559,0.805767848,0.190795834,0.423953378,0.261310447,0.014029082,8.054714149,10.19640007,18.52718634,0.708651772,0.699292907,7.169745535,2.203147827,0.064296403,0.759733111,0.233453802,0.517376364,0.537050295,0.075703861,9.437189765,16.39865262,26.85146896,0.639599666,1.13013052,6.667443283,1.710588628,0.037228593,0.792303848,0.203272213,0.447421276,0.323752836,0.025380269,8.415260503,11.71715499,20.557017,0.688455773,0.796554382,7.327151949,2.357495493,0.072778288,0.750930845,0.241610396,0.540343805,0.614935414,0.096994886,9.75742573,17.97855976,28.99313782,0.626396268,1.252274105,7.183387795,2.200343402,0.064169857,0.760315731,0.232892299,0.519347048,0.535683877,0.075405986,9.447901054,16.40807263,26.87023731,0.640473596,1.130436911 +UMLYSI0045,L,"1,5-dimethyltetralin",CC1CCCC2=C1C=CC=C2C,aromatic,C12H16,21564-91-0,89516,PubChem,,607.3,0,1.622,2.630884,53.5617,31.788688,6,6,28,12,16,0,12,0,0,0,0,0,0,0,0,0,1747.426476,2069.146981,2932.79013,3084.17157,2329.582764,1245.144941,284.730768,22.353408,0,5579.542732,7341.505585,11000.94657,12564.28844,11117.98406,7661.04688,3341.981277,683.8423775,0,197.981616,211.90882,388.371528,514.093896,546.346416,510.92402,351.024192,147.806208,0,40.58060648,54.07240896,84.26741251,100.2976217,94.47534626,71.60436514,36.72281766,9.781483907,0,4480.214705,4098.287393,8080.866066,11027.84255,12015.01465,11904.77284,8763.103063,4068.188345,0,52.86111111,65.77777778,105.4166667,134.7222222,137.8333333,116.6666667,69.5,22,0,62.40808843,71.3498959,54.31092833,42.83571625,30.25432161,17.05678001,5.582956235,1.016064,0,199.2693833,253.155365,203.7212328,174.5040061,144.3894034,104.9458477,65.52904464,31.08374443,0,7.070772,7.30720069,7.192065333,7.140193,7.095408,6.998959178,6.882827294,6.718464,0,1.449307374,1.864565826,1.560507639,1.393022523,1.226952549,0.980881714,0.720055248,0.444612905,0,160.0076681,141.3202549,149.6456679,153.1644799,156.0391513,163.07908,171.8255502,184.917652,0,1.887896825,2.268199234,1.952160494,1.871141975,1.79004329,1.598173516,1.362745098,1,0,0.048217843,-7.76E-04,-0.00250434,-0.005255953,-0.025024579,-0.015647233,0.003634859,0.021464542,0,830.1669189,39.53175804,111.1830695,-111.1830695,-570.7397567,-417.5541943,44.4732278,489.2055058,0,1543.730835,73.51099214,206.7496654,-206.7496654,-1061.314949,-776.4598545,82.69986616,909.6985278,0,0.162624,0.007744,0.02178,-0.02178,-0.111804,-0.081796,0.008712,0.095832,0,6.901195096,0.328628338,0.9242672,-0.9242672,-4.744571629,-3.471136819,0.36970688,4.066775682,0,37.48740129,1.785114347,5.020634102,-5.020634102,-25.77258839,-18.85527029,2.008253641,22.09079005,0,4.407738095,-0.238768424,1.32178288,-0.051445578,-2.758184524,-1.906285431,-0.760522959,2.189554989,0,0.001722066,-2.68E-05,-4.64E-05,-7.30E-05,-3.25E-04,-2.14E-04,7.13E-05,9.76E-04,0,29.64881853,1.36316407,2.058945731,-1.544209298,-7.412204633,-5.71992047,0.872024074,22.2366139,0,55.13324411,2.534861798,3.828697507,-2.871523131,-13.78331103,-10.63643636,1.621566003,41.34993308,0,0.005808,2.67E-04,4.03E-04,-3.02E-04,-0.001452,-0.001120493,1.71E-04,0.004356,0,0.246471253,0.011332012,0.017116059,-0.012837044,-0.061617813,-0.047549819,0.007249155,0.18485344,0,1.33883576,0.061555667,0.092974706,-0.069731029,-0.33470894,-0.258291374,0.039377522,1.00412682,0,0.157419218,-0.008233394,0.024477461,-7.15E-04,-0.035820578,-0.026113499,-0.014912215,0.099525227,0,-0.015543045,-0.026930835,-0.042390563,-0.188723643,-0.124470068,0.041387352,0.566564295,0,0.045977011,0.069444444,-0.052083333,-0.25,-0.192922374,0.029411765,0.75,0,0.045977011,0.069444444,-0.052083333,-0.25,-0.192922374,0.029411765,0.75,0,0.045977011,0.069444444,-0.052083333,-0.25,-0.192922374,0.029411765,0.75,0,0.045977011,0.069444444,-0.052083333,-0.25,-0.192922374,0.029411765,0.75,0,0.045977011,0.069444444,-0.052083333,-0.25,-0.192922374,0.029411765,0.75,0,-0.052302343,0.155492202,-0.004538975,-0.227548953,-0.165885077,-0.094729316,0.632230475,0,1.096756309,0.964822127,1.009110432,1.170618141,1.123344583,0.914543039,0.120648849,0,1.086206897,0.984375,1.06640625,1.227272727,1.105736301,0.810661765,0,0,1.086206897,0.984375,1.06640625,1.227272727,1.105736301,0.810661765,0,0,1.086206897,0.984375,1.06640625,1.227272727,1.105736301,0.810661765,0,0,1.086206897,0.984375,1.06640625,1.227272727,1.105736301,0.810661765,0,0,1.086206897,0.984375,1.06640625,1.227272727,1.105736301,0.810661765,0,0,1.220424224,0.735764123,0.946488859,1.251856853,1.1712745,1.035945506,0,0,51.02418305,25.30876211,35.17266565,51.02418305,4.252015254,25.30876211,-1.42E-14,0.188262433,0.015688536,-2.003902041,88.43760443,7.369800369,5.378756722,51.02418305,25.30876211,35.17266565,51.02418305,4.252015254,25.30876211,-1.42E-14,0.188262433,0.015688536,-2.003902041,88.43760443,7.369800369,5.378756722,51.02418305,25.30876211,35.17266565,51.02418305,4.252015254,25.30876211,-1.42E-14,0.188262433,0.015688536,-2.003902041,88.43760443,7.369800369,5.378756722,51.02418305,25.30876211,35.17266565,51.02418305,4.252015254,25.30876211,-1.42E-14,0.188262433,0.015688536,-2.003902041,88.43760443,7.369800369,5.378756722,51.02418305,25.30876211,35.17266565,51.02418305,4.252015254,25.30876211,-1.42E-14,0.188262433,0.015688536,-2.003902041,88.43760443,7.369800369,5.378756722,51.02418305,25.30876211,35.17266565,51.02418305,4.252015254,25.30876211,-1.42E-14,0.188262433,0.015688536,-2.003902041,88.43760443,7.369800369,5.378756722,61.49106139,29.56125116,41.9568963,61.41120028,5.117600023,29.56125116,-0.239583333,0.374221404,0.031185117,-1.179489202,85.45571158,7.121309298,5.337597898,0,11.89,12.11019763,-0.153289667,0.067036224,6.512951594,9.871762865,13,29,26,23,7,3,0,0,0,6,17.491312,3.899480348,3.33652679,3.02136874,2.735325865,2.536801166,2.210209363,1.926056373,1.302383302,2.075193285,1.718086154,1.511494845,1.373305014,1.107267711,0.917983,0.733636823,0.504065326,3.90936976,3.361122553,3.050114726,2.778314363,2.563867528,2.270561095,1.987259803,1.401692183,2.044713623,1.660483236,1.434228916,1.283394662,1.007136051,0.83410324,0.62430352,0.363900923,3.955605817,3.471602249,3.185823724,2.970200568,2.701042859,2.516682695,2.242544314,1.810171117,1.965449734,1.494054545,1.214523819,1.008647156,0.732929313,0.560824673,0.290848181,0.114939953,3.916791384,3.379377057,3.071820492,2.810207958,2.584639421,2.31419726,2.031634639,1.473628492,2.026303121,1.624051682,1.385467785,1.225041096,0.943749347,0.779770969,0.553988031,0.2693122,3.980027115,3.526574109,3.256616858,3.063842393,2.781850176,2.621001709,2.359051564,1.988804309,1.943425477,1.443281476,1.150106415,0.921370144,0.662963734,0.457989694,0.18002425,0.288215329,3.936228215,3.379916881,3.111609975,2.904588533,2.603780609,2.412507767,2.112960574,1.542386534,2.032489788,1.583144011,1.349986849,1.081977702,0.891515113,0.677960636,0.442279981,0.161656989,0,0,0,3,3,2,3,1,0,0,0,0,0.136082763,0.310875228,0,0,0,0.075087298,0.160964833,0.743570048,0,0.248005645,0,0.520183394,0,0.139419384,0,1.94548283,3.098141575,4.326243161,1.216760069,1.763754128,2.265493833,8.552041764,5.7876937,5.144084309,4.405593715,3.620370305,2.801346573,1.533372951,1.009236283,0.712670147,0.445207208,0.285782462,0.183566405,0.12067901,0.080038474,0.05476332,0.03881678,7.93072142,4.871844021,3.935967412,3.041308711,2.268704088,1.591515055,0.795472819,0.481519213,0.660893452,0.374757232,0.218664856,0.126721196,0.07562347,0.045471859,0.028409744,0.01851997,16.33462243,27.10269483,25.80392157,26.08,18.38843593,211.1968192,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,3.15442,51.435,86.47249794,106.9927553,172.9449959,14.41208299,86.47249794,0,0,0,120.1894986,10.01579155,5.746883583,108,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,5,0,0,3,0,0,0,0,0,0,0,0,2,0,3,0,0,3,1,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.42638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.109861111,0,1.576527778,0,0,1.109861111,0,0,0,0,0,0,0,0,4.577685185,0,4.043472222,0,0,6.72125,0.785787037,0,0,0,4.705138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.485231481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.355347222,0,0.285972222,0,0,0.355347222,0,0,0,0,0,0,0,0,2.233009259,0,1.297962963,0,0,2.190462963,0.785787037,0,0,0,1.485231481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.297777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.381805556,0,0.359305556,0,0,0.381805556,0,0,0,0,0,0,0,0,2.344675926,0,1.374027778,0,0,2.297777778,0.785787037,0,0,0,1.621527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.83333333,1.736111111,0.381805556,2.344675926,0.072916667,0.785787037,7.21115463,0.547546296,0.344675926,2.59787037,0.547546296,0.344675926,2.59787037,6,0.5,0,0,0.47143,0.7,0.44118,0.44118,0.7,0.03025,0.03025,0,0,0.71429,0,0,0.16667,0.33333,0,12.5,1.04167,6.5,0.54167,6,0.5,-0.5,-0.04167,0,0,10.13402,0.8445,15.35691,5.22289,0.43524,3.77672,0.31473,5.78767,2.01095,0.16758,0.12633,0.01053,0.29833,0.02486,0.357142857,37,0,0,0,0,0,0,0.5,0.985228136,2.508412821,3.79790269,4.182005815,4.253434386,4.182005815,27.58638781,70.23555898,106.3412753,117.0961628,119.0961628,117.0961628,0.204941834,0.521786484,0.7900192,0.869918257,0.884776443,0.869918257,3.822126786,2.298942102,1.009452232,0.625349107,0.553920536,0.625349107,0.197045627,0.501682564,0.759580538,0.836401163,0.850686877,0.836401163,6.75154531,20.65668325,24.90443345,26.8618529,26.9338404,26.07669755,45.10106829,27.53005782,20.1951829,16.95232166,16.75179631,17.95494842,8.591715976,3.395061728,1.5625,0,6,0,2.78,1.4532,0.2,3.570980654,3.614408014,0,6.120463943,11.10631515,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.12,0.616,0.873,5.997,18,24,30,35,28,26,20,18,6,230,2.833213344,3.384390263,3.926911618,4.411281993,4.837768896,4.751432693,4.80504511,4.696495163,4.729321788,3.725693427,6.698229521,3.521603261,0.4,2,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,3,0,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.153846154,0,3,5,0.666666667,2,1.777777778,1,0.666666667,0.125,0,0,0,0,0,0.153846154,0.098765432,0.055555556,0.055555556,0.025,0,0,0,0,0,0.388722697,29.98366867,41.93661746,59.96733733,4.997278111,29.98366867,1.11E-16,9.25E-18,-44.08416068,90.83729691,7.569774742,5.410883952,0,172.5859807,4.584962501,4.143134726,4.990432587,5.860786223,6.725033642,7.598399329,8.466951975,9.339876293,10.20990551,11.08221947,93.41673975,3.295836866,0,4.59511985,0,6.12905021,0,7.771067086,0,9.463198053,9.670356795,160.1252005,5.718757161,24.35749109,2.029790924,0,0,0,176,18,4.35,62,1.260613697,2.192038452,3.014459636,3.82083832,4.667523905,5.589121209,6.440500855,0,0,0,100.8718514,130.5092971,139.8190742,129.0692748,86.49564445,32.18791395,6.54396106,0,0,0,344.6621305,476.8665784,555.2424976,590.6102201,516.232759,373.6722042,200.1948826,0,0,0,9.246522774,15.82418967,21.58464671,27.20040282,32.75479905,38.50437376,43.27027313,0,0,0,2.489021357,3.598254867,4.373414803,4.926890644,4.759919945,4.083829636,2.863529794,0,0,0,175.9733442,323.9369856,457.4133596,589.7021713,754.519289,957.5326811,1190.962296,0,0,0,2.937940261,4.423116927,5.789585733,7.049058479,7.649632369,7.702403129,6.440500855,0,0,0,0.511458308,0.746182931,0.914276655,1.040088269,1.022303114,0.901208147,0.659507288,0,0,0,323.3358575,176.222962,11.01799987,59.09201609,-32.20604787,-3.156929707,264.2438414,208.4290098,14.17492958,0.845481932,0.460800517,0.028810661,0.154518068,-0.084214698,-0.008254968,123.6526444,67.39257263,4.213590262,22.59843406,-12.3164904,-1.207297915,0.113842806,0.1123419,1.747794621,1.455596524,382.4278736,0,1,0,902.2871045,30.03809422,9.663065354,1057.916619,32.52563018,10.18944384,1708.065289,41.32874652,11.95367624,1.633491011,1.633238452,851.0780271,551.8387698,349.5975763,1.542258489,2.434450593,1.578497127,4.635697143,4.383766436,7.594940191,0.732514791,4.707386811,7.833427401,5.486490513,25.32736949,6.884327373,11.83510207,12.20160351,14.87323341,11.34893256,8.049587266,9.2114726,3.738638143,3.009758724,1.429171957,7.49E-08,2.66E-36,1.83E-86,2.42E-158,6.17E-252,0,0,0,0,0,0,0,0,0,0,0,0.395061075,7.35919404,0.357974581,11.50176521,1.355950335,1.469188085,1.57498946,0.85066238,4.357544673,0.173007778,0.859835744,0.168355478,0.09178381,0.010065775,5.27E-10,1.88E-38,1.29E-88,1.70E-160,4.35E-254,0,0,0,0,0,0,0,0,0,0,0,1.275298693,7.390883769,1.223075158,13.14652318,2.103888875,3.280992804,3.267344634,2.962074287,5.526700918,0.889626996,1.973767431,0.639281797,0.402247919,0.104893136,5.50E-09,1.96E-37,1.34E-87,1.78E-159,4.53E-253,0,0,0,0,0,0,0,0,0,0,0,4.443389319,7.781360914,5.108233254,24.06447109,6.411268341,11.09292798,11.38238675,13.74914031,10.82967592,7.252126329,8.491180442,3.428851158,2.730243368,1.273366483,6.67E-08,2.37E-36,1.63E-86,2.15E-158,5.50E-252,0,0,0,0,0,0,0,0,0,0,0,1.879554223,7.431970699,1.870901614,14.62517536,2.730309818,4.615033327,4.5706543,4.634448279,6.40587629,1.646167052,2.913871948,1.039117317,0.700040748,0.227841907,1.19E-08,4.25E-37,2.91E-87,3.86E-159,9.84E-253,0,0,0,0,0,0,0,0,0,0,0,5.684850695,8.052359838,6.960006973,30.47622378,8.788698119,14.70518799,15.42629869,19.33685999,13.37511243,11.36018293,12.11570647,4.989209784,4.15921883,2.084312983,1.09E-07,3.88E-36,2.67E-86,3.53E-158,9.00E-252,0,0,0,0,0,0,0,0,0,0,0,2.784311379,6.649945367,2.698247123,16.53226125,3.540640042,6.207993785,6.758483621,7.158619418,7.940569455,3.040515754,4.728185794,1.853295345,1.30317925,0.474164955,2.48E-08,8.84E-37,6.06E-87,8.02E-159,2.05E-252,0,0,0,0,0,0,0,0,0,0,0,4.637192513,2.930390073,0.501360355,0.574696407,0.363169017,0.531319588,0.494747879,0.31864173,8.068942941,17.3828688,32.26468876,0.406798135,1.344709197,3.31133555,2.042883964,0.15936665,0.600577456,0.37051819,0.296233392,0.262862096,0.031936186,5.513586164,7.617958321,14.20960797,0.456643468,0.591031675,3.759829241,2.368770998,0.279091581,0.586768113,0.369676174,0.365697275,0.346307966,0.098276756,6.40769182,10.61661519,19.50994532,0.434666432,0.810281997,4.595586353,2.905281801,0.491060149,0.575028476,0.36352701,0.522537497,0.487853697,0.305626743,7.991928302,17.03485083,31.58315565,0.407833229,1.316017937,3.990282422,2.524070078,0.33869883,0.582263612,0.368313319,0.405263305,0.386490769,0.144945491,6.853051331,12.27815604,22.54249815,0.425865396,0.936699565,4.770963888,3.010357735,0.534357474,0.573731121,0.362009849,0.56018649,0.51694028,0.362174267,8.315679098,18.52031541,34.51060116,0.403611455,1.439301037,4.60692018,2.911331351,0.491634898,0.575154245,0.363467245,0.524973723,0.489581538,0.306191634,8.009886429,17.10850597,31.71233296,0.407932234,1.320746896 +UMLYSI0046,L,hexamethylbenzene,CC1=C(C(=C(C(=C1C)C)C)C)C,aromatic,C12H18,87-85-4,6908,PubChem,,565.4,0,4.0818,16.66109124,56.6478,33.122274,6,6,30,12,18,0,12,0,0,0,0,0,0,0,0,0,1749.458604,1949.097036,2832.970914,3465.401709,2602.879788,1141.442571,272.79504,27.433728,0,5641.710221,7147.461916,10248.07073,13024.37313,13343.2392,9144.850189,3743.781294,839.2610996,0,211.418544,218.603568,384.779016,414.585588,602.955696,769.770732,490.914432,181.398528,0,41.46983229,53.51059758,78.24702987,98.65449516,113.6419903,92.5071896,44.05289444,12.00454843,0,4850.05001,4277.738132,8367.022005,8175.093196,12546.35571,18634.55385,12741.75907,4992.776605,0,58.66666667,72.66666667,104.6666667,132.3333333,176,168,90,27,0,58.3152868,64.9699012,52.46242433,60.79652121,30.98666414,10.28326641,3.78882,1.016064,0,188.0570074,238.2487305,189.7790875,228.4977741,158.8480857,82.38603773,51.99696242,31.08374443,0,7.0472848,7.2867856,7.125537333,7.273431368,7.178044,6.934871459,6.818256,6.718464,0,1.382327743,1.783686586,1.449019072,1.730780617,1.352880837,0.833398105,0.611845756,0.444612905,0,161.6683337,142.5912711,154.9448519,143.4226876,149.3613775,167.8788636,176.9688759,184.917652,0,1.955555556,2.422222222,1.938271605,2.321637427,2.095238095,1.513513514,1.25,1,0,0.034775509,0.002459549,0.024255697,-0.008298026,-0.063694951,-0.014983249,0.0220515,0.020821726,0,871.6752648,-8.60E-13,610.1726854,-130.7512897,-1569.015477,-392.2538692,523.0051589,523.0051589,0,1620.917377,4.12E-13,1134.642164,-243.1376065,-2917.651278,-729.4128195,972.5504261,972.5504261,0,0.1707552,2.73E-15,0.11952864,-0.02561328,-0.30735936,-0.07683984,0.10245312,0.10245312,0,7.246254851,1.85E-14,5.072378396,-1.086938228,-13.04325873,-3.260814683,4.347752911,4.347752911,0,39.36177136,-3.45E-13,27.55323995,-5.904265704,-70.85118844,-17.71279711,23.61706281,23.61706281,0,5.333333333,-2,3.333333333,1.666666667,-8,-2.666666667,2,3,0,0.001159184,8.20E-05,4.49E-04,-1.46E-04,-7.58E-04,-1.35E-04,3.06E-04,7.71E-04,0,29.05584216,-2.87E-14,11.29949417,-2.293882276,-18.67875567,-3.533818641,7.26396054,19.37056144,0,54.03057923,1.37E-14,21.01189192,-4.265572044,-34.73394379,-6.571286663,13.50764481,36.02038615,0,0.00569184,9.10E-17,0.002213493,-4.49E-04,-0.00365904,-6.92E-04,0.00142296,0.00379456,0,0.241541828,6.16E-16,0.093932933,-0.019069092,-0.15527689,-0.029376709,0.060385457,0.161027886,0,1.312059045,-1.15E-14,0.510245184,-0.103583609,-0.843466529,-0.159574749,0.328014761,0.87470603,0,0.177777778,-0.066666667,0.061728395,0.029239766,-0.095238095,-0.024024024,0.027777778,0.111111111,0,0.070726464,0.387496472,-0.125587864,-0.65414418,-0.116447661,0.264212523,0.665274249,0,-9.86E-16,0.388888889,-0.078947368,-0.642857143,-0.121621622,0.25,0.666666667,0,2.54E-16,0.388888889,-0.078947368,-0.642857143,-0.121621622,0.25,0.666666667,0,1.60E-14,0.388888889,-0.078947368,-0.642857143,-0.121621622,0.25,0.666666667,0,2.55E-15,0.388888889,-0.078947368,-0.642857143,-0.121621622,0.25,0.666666667,0,-8.76E-15,0.388888889,-0.078947368,-0.642857143,-0.121621622,0.25,0.666666667,0,-0.375,0.347222222,0.164473684,-0.535714286,-0.135135135,0.15625,0.625,0,1.123881692,0.720457214,1.362951558,1.725469403,0.955813608,0.467442786,0,0,1.208333333,0.671296296,1.271929825,1.726190476,0.97972973,0.503472222,0,0,1.208333333,0.671296296,1.271929825,1.726190476,0.97972973,0.503472222,0,0,1.208333333,0.671296296,1.271929825,1.726190476,0.97972973,0.503472222,0,0,1.208333333,0.671296296,1.271929825,1.726190476,0.97972973,0.503472222,0,0,1.208333333,0.671296296,1.271929825,1.726190476,0.97972973,0.503472222,0,0,1.691666667,0.469907407,0.826754386,1.704613095,1.077702703,0.6796875,0,0,48,24,30.51466792,48,4,24,-3.55E-15,5.55E-17,4.63E-18,-44.9159373,59.35892837,4.946577364,4.900323055,48,24,30.51466792,48,4,24,-3.55E-15,5.55E-17,4.63E-18,-44.9159373,59.35892837,4.946577364,4.900323055,48,24,30.51466792,48,4,24,-3.55E-15,5.55E-17,4.63E-18,-44.9159373,59.35892837,4.946577364,4.900323055,48,24,30.51466792,48,4,24,-3.55E-15,5.55E-17,4.63E-18,-44.9159373,59.35892837,4.946577364,4.900323055,48,24,30.51466792,48,4,24,-3.55E-15,5.55E-17,4.63E-18,-44.9159373,59.35892837,4.946577364,4.900323055,48,24,30.51466792,48,4,24,-3.55E-15,5.55E-17,4.63E-18,-44.9159373,59.35892837,4.946577364,4.900323055,53.2178574,26.5589287,34.15661078,53.13452406,4.427877005,26.5589287,-0.1,1.18E-16,9.83E-18,-44.01141114,123.3499599,10.27916332,5.778030621,0,11.89,12.11019763,-0.151682587,0.068570113,6.785002961,9.55084706,12,30,27,24,6,3,0,0,0,6,19.677726,3.917805944,3.114235642,3.114235642,2.566614454,2.566614454,2.496756719,1.945993478,1.553095134,2.054788941,1.565186434,1.565186434,1.358662834,1.358662834,1.33038661,0.80753445,0.14224982,3.924823467,3.139304727,3.139304727,2.625173334,2.625173334,2.5599847,2.01823149,1.610684582,2.02921825,1.491549968,1.491549968,1.254330536,1.254330536,1.222651312,0.709342291,0.087454335,3.958742861,3.260496293,3.260496293,2.875597779,2.875597779,2.826984197,2.312510413,1.831989888,1.966201269,1.286650949,1.286650949,0.923822882,0.923822882,0.877845105,0.366354244,0.130226725,3.930144588,3.158384812,3.158384812,2.668013134,2.668013134,2.60603662,2.070278575,1.651463849,2.014122476,1.445452089,1.445452089,1.185826545,1.185826545,1.151656175,0.642126641,0.048028671,3.977397907,3.325297431,3.325297431,2.992074991,2.992074991,2.94956202,2.440951365,1.920562246,1.94962918,1.228184919,1.228184919,0.813469983,0.813469983,0.761214706,0.241777759,0.21900988,3.885792507,3.182346212,3.182346212,2.766250673,2.766250673,2.711270248,2.144100199,1.661542289,2.045736128,1.389967454,1.389967454,1.073689085,1.073689085,1.034948418,0.569569318,0.055573545,0,0,0,0,6,6,0,0,0,0,0,0,0.037037037,0.222222222,0,0,0,0.015625,0.09375,1.154700538,0,0.666666667,0,0.75,0,0.375,0,3.64273441,4.976067743,7.019657171,2.25,2.8125,3.5625,9.464101615,5.464101615,5.154700538,4.976067743,2.872934051,1.658689248,0.829344624,0.222222222,0.788675135,0.455341801,0.286372252,0.207336156,0.119705585,0.069112052,0.046074701,0.037037037,9,4.5,3.75,3.375,1.6875,0.84375,0.375,0.09375,0.75,0.375,0.208333333,0.140625,0.0703125,0.03515625,0.020833333,0.015625,16.87645023,28.99053168,27.52941176,27.84,19.18699042,227.4823796,0.562548341,0.966351056,0.917647059,0.928,0.639566347,7.582745988,1.85472,48.282,53.45906044,66.54182297,106.9181209,8.909843406,53.45906044,9.99E-16,8.33E-17,-41.44749119,50.54811257,4.212342714,4.707510728,102,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.725555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.27444444,0,0,0,0,0,0,0,0,0,8.725555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.454259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.212407407,0,0,0,0,0,0,0,0,0,1.454259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.454259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.212407407,0,0,0,0,0,0,0,0,0,1.454259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22,1.833333333,0.359305556,2.212407407,0.090694444,1.454259259,7.479671111,0.212407407,0.212407407,2.548888889,0.212407407,0.212407407,2.548888889,6,0.5,0,0,0.46,0.7,0.43333,0.43333,0.7,0.02667,0.02667,0,0,0.71429,0,0,0.5,0.5,0,12,1,6,0.5,6,0.5,0,0,0,0,12.14304,1.01192,17.53688,5.39383,0.44949,3.12497,0.26041,5.46406,2.33909,0.19492,0.44994,0.03749,0.53594,0.04466,0.2,12,0,0,0,0,0,0,0.5,0.970950594,1.370950594,1.370950594,1.370950594,1.370950594,1.370950594,29.12851783,41.12851783,41.12851783,41.12851783,41.12851783,41.12851783,0.197874922,0.279392941,0.279392941,0.279392941,0.279392941,0.279392941,3.935940001,3.535940001,3.535940001,3.535940001,3.535940001,3.535940001,0.192481113,0.271777058,0.271777058,0.271777058,0.271777058,0.271777058,6.79089428,11.59089428,11.59089428,11.59089428,11.59089428,11.59089428,46.03075755,41.39499298,41.39499298,41.39499298,41.39499298,41.39499298,10.08333333,3.395061728,1.5625,0,6,0,2.78,1.5618,4.02369228,0,15.72444837,0,0,0,0,9.125465128,0,0,0,0,0,0,0,0,0,0,0,0.003,0.113,0.064,0.433,0.704,5.8,18,24,24,24,18,6,0,0,0,138,2.772588722,3.481240089,4.047427642,4.447053318,4.848606441,4.80811103,3.840795496,0,0,0,6.202029316,3.570652174,0.2,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0.5,0,4,5,0.25,3,2.666666667,1.5,0.906666667,0,0,0,0,0,0,0.25,0.148148148,0.071428571,0.075555556,0,0,0,0,0,0,0.545132275,29.8113883,38.93449393,59.6227766,4.968564717,29.8113883,5.55E-17,4.63E-18,-44.9159373,52.05477612,4.33789801,4.742755861,0,184.9424394,4.584962501,4.110873864,4.976733742,5.855071922,6.73459166,7.61529834,8.496378052,9.37763289,10.25895677,11.14030986,92.5658471,3.218875825,0,4.574710979,0,6.150602768,0,7.82284529,0,9.5428763,9.743377484,162.1408506,5.404695019,22.89748676,1.908123897,0,0,0,174,21,4.434,60,1.236810125,2.1265773,3.090848557,3.794646603,4.300122153,5.815805694,6.564769362,0,0,0,90.17285885,125.6657585,198.9074102,132.0400675,53.96136805,22.91592095,6.670225817,0,0,0,317.6065175,442.2551437,731.9404446,636.5497538,401.9037133,309.0481742,204.0576131,0,0,0,9.043784599,15.23421796,22.51625594,27.28439947,30.00862571,39.6853551,44.10516662,0,0,0,2.330537227,3.312634973,5.488959023,5.31697145,3.934797534,3.611504428,2.918781176,0,0,0,174.4025097,323.7569594,441.1074799,563.8936088,707.2145374,1026.691341,1213.941736,0,0,0,3.082517013,4.339119189,7.308745185,8.096350174,6.994389005,7.349179903,6.564769362,0,0,0,0.480340195,0.686825308,1.135875082,1.120818176,0.853044948,0.806530794,0.672232383,0,0,0,337.4276022,168.6667932,9.370377399,106.1706473,-53.07053275,-4.322426257,231.2569549,221.7373259,13.69280366,0.760660356,0.380224208,0.021123567,0.239339644,-0.119636479,-0.009744011,149.6822937,74.82029422,4.156683012,47.09711331,-23.54199543,-1.917420722,0.055555556,0.088255173,0.816057781,0.543999212,443.5982496,0,1,0,861.9233667,29.35853141,9.516769519,1036.290016,32.19145875,10.11953223,1695.220261,41.17305261,11.92363605,1.129058954,1.041561498,909.228944,476.7800368,452.6802777,1.907019745,2.008545521,1.053237926,4.745742351,4.655762072,6.723519066,0.444128579,5.020329611,7.847915274,10.22184723,14.9757066,3.137764899,6.328577118,15.82305911,9.652054919,17.83772492,9.776614684,13.51549966,12.70341436,0.001592827,1.76E-26,4.32E-71,2.06E-137,1.90E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421431084,6.875179723,0.333528365,10.37646005,1.361994084,0.771526003,1.483161958,0.595195335,4.517458328,0.496979272,0.364985024,0.089477549,1.12E-05,1.24E-28,3.05E-73,1.45E-139,1.34E-227,0,0,0,0,0,0,0,0,0,0,0,0,0,1.360164319,6.940180462,1.421518646,11.31525143,1.55356825,1.742967888,4.404320382,2.061563811,6.663721855,1.664539351,1.684559693,0.932375088,1.17E-04,1.29E-27,3.17E-72,1.51E-138,1.39E-226,0,0,0,0,0,0,0,0,0,0,0,0,0,4.738788339,7.741117651,9.287337389,14.69413946,2.968595248,5.930760165,14.94308647,8.9623449,16.8196701,8.95147103,12.22763983,11.31851787,0.001419181,1.57E-26,3.85E-71,1.83E-137,1.69E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,2.004575255,7.024456772,2.444652727,11.95970611,1.735821216,2.458191976,6.411361921,3.181701387,8.307107066,2.681778691,2.995621654,2.025227625,2.54E-04,2.81E-27,6.89E-72,3.28E-138,3.02E-226,0,0,0,0,0,0,0,0,0,0,0,0,0,6.06275022,8.296984733,14.05564622,16.01822817,3.832769754,7.866935447,19.08357973,12.35931322,21.83715808,13.12361237,18.83204216,18.5267152,0.002322989,2.57E-26,6.31E-71,3.00E-137,2.77E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,2.987331258,6.958571058,3.715853486,12.33545415,2.226020288,3.484572868,8.198529544,4.230333553,11.53606818,4.287812503,5.064218848,3.779552863,4.74E-04,5.24E-27,1.29E-71,6.13E-138,5.64E-226,0,0,0,0,0,0,0,0,0,0,0,0,0,4.325064932,4.124378091,0.334498194,0.492383183,0.469536167,0.584173962,0.564434801,0.399954446,8.783941217,20.66452648,35.41531439,0.442879025,1.548563209,2.877936767,2.729323188,0.062347132,0.507607798,0.481395473,0.258709451,0.247261814,0.013894916,5.669607087,8.204416127,14.36374868,0.483504907,0.519866181,3.403022876,3.235526508,0.161097461,0.500470532,0.475837434,0.361692331,0.347435197,0.092768463,6.799646845,12.08002417,20.653446,0.46446195,0.801895991,4.283777243,4.084577286,0.326733627,0.492666338,0.469756857,0.573076603,0.553597923,0.381602,8.695088156,20.23164205,34.64372545,0.443634793,1.508276526,3.656841971,3.480212441,0.208831428,0.497808168,0.47376348,0.417643305,0.401946968,0.155888719,7.34588584,14.21702818,24.22062534,0.457357472,0.975478991,4.456425184,4.25100736,0.359201782,0.491519237,0.468862778,0.620188968,0.59961169,0.461211303,9.066634326,22.07202154,37.94348085,0.440573023,1.681011961,4.290767875,4.091251399,0.326628114,0.492701987,0.469791831,0.574947985,0.555407659,0.381355577,8.708647388,20.29241322,34.73488979,0.443740727,1.511711221 +UMLYSI0047,L,"4,4’-dimethylbibenzyl",CC1=CC=C(C=C1)CCC2=CC=C(C=C2)C,aromatic,C16H18,538-39-6,10854,UML,,549.8,0,3.4332,11.78686224,77.7662,40.162274,12,12,34,16,18,0,16,0,0,0,0,0,0,0,0,0,2326.515088,2670.417641,3545.151814,3330.287035,2336.695212,2078.467788,2054.082252,1773.682522,1392.361832,7335.777828,9265.046424,13008.14029,13802.84867,11335.57027,9060.034668,8314.024802,7715.660954,6075.069197,241.580608,256.306148,433.168024,538.663852,593.375664,490.535472,329.292336,367.959016,322.810784,52.62543229,67.45509758,98.31903254,109.9961301,97.5876366,76.64656502,65.9758553,63.95495854,51.24725568,5357.227434,4911.709912,8862.493482,11238.31627,13309.43821,11420.08338,6982.05973,8207.812234,7468.913748,73.61111111,90.58333333,135.6666667,162.3333333,153,117.6666667,97.88888889,101,82,68.42691435,76.29764689,59.08586357,44.40382713,27.81780014,29.69239697,44.653962,34.10927927,30.26873548,215.7581714,264.7156121,216.8023381,184.0379823,134.9472652,129.4290667,180.7396696,148.3780953,132.0667217,7.105312,7.3230328,7.219467067,7.182184693,7.063996,7.0076496,7.158529043,7.076134923,7.017625739,1.547806832,1.927288502,1.638650542,1.466615068,1.161757579,1.094950929,1.434257724,1.229903049,1.114070776,157.5655128,140.3345689,147.7082247,149.844217,158.445693,163.1440483,151.7839072,157.842543,162.3676902,2.16503268,2.588095238,2.261111111,2.164444444,1.821428571,1.680952381,2.128019324,1.942307692,1.782608696,0.080523755,0.004631479,-0.010403793,-0.048782012,-0.025222375,0.049756622,-0.00631046,-0.011826288,0.01298307,1025.500312,33.9319956,56.13441248,-588.573504,-397.1300226,480.9127278,-162.5384481,-15.91871399,264.7533484,1906.96162,63.09799477,104.384337,-1094.477564,-738.4802351,894.277753,-302.2471848,-29.60152841,492.3201567,0.200888471,0.006647045,0.010996346,-0.115297509,-0.077795045,0.094207502,-0.031840166,-0.003118367,0.051863363,8.525005707,0.282077395,0.466646554,-4.892823945,-3.301350249,3.997837644,-1.351185545,-0.132332605,2.200900166,46.3079663,1.532248885,2.534831489,-26.57789733,-17.93298695,21.71631753,-7.339661326,-0.71883281,11.95532463,6.784313725,-0.447904652,1.710688197,-4.293829296,-4.81680123,3.832948866,0.438869666,-0.078623606,2.308150711,0.002368346,1.32E-04,-1.73E-04,-6.50E-04,-3.00E-04,7.11E-04,-1.37E-04,-2.27E-04,2.82E-04,30.16177387,0.969485589,0.935573541,-7.847646719,-4.727738364,6.870181826,-3.533444523,-0.306129115,5.755507574,56.08710646,1.802799851,1.73973895,-14.59303418,-8.79143137,12.77539647,-6.570590974,-0.569260162,10.7026121,0.005908484,1.90E-04,1.83E-04,-0.0015373,-9.26E-04,0.001345821,-6.92E-04,-6.00E-05,0.001127464,0.250735462,0.008059354,0.007777443,-0.065237653,-0.039301789,0.057111966,-0.029373599,-0.002544858,0.047845656,1.361999009,0.04377854,0.042247191,-0.354371964,-0.21348794,0.310233108,-0.159557855,-0.013823708,0.259898362,0.199538639,-0.012797276,0.02851147,-0.057251057,-0.057342872,0.054756412,0.009540645,-0.001511992,0.050177189,0.055873591,-0.073214204,-0.274633395,-0.126783165,0.300128853,-0.057923939,-0.096028467,0.119172063,0.032142857,0.031018519,-0.260185185,-0.156746032,0.227777778,-0.117149758,-0.010149573,0.190821256,0.032142857,0.031018519,-0.260185185,-0.156746032,0.227777778,-0.117149758,-0.010149573,0.190821256,0.032142857,0.031018519,-0.260185185,-0.156746032,0.227777778,-0.117149758,-0.010149573,0.190821256,0.032142857,0.031018519,-0.260185185,-0.156746032,0.227777778,-0.117149758,-0.010149573,0.190821256,0.032142857,0.031018519,-0.260185185,-0.156746032,0.227777778,-0.117149758,-0.010149573,0.190821256,-0.064134324,0.142886962,-0.286917148,-0.287377282,0.274415084,0.047813521,-0.007577442,0.25146603,0.923659245,1.011074974,1.297983113,1.130539489,0.684815188,1.044835182,1.060096342,0.90139582,1.001785714,0.973958333,1.246666667,1.113095238,0.723511905,1.100996377,0.973958333,0.762228261,1.001785714,0.973958333,1.246666667,1.113095238,0.723511905,1.100996377,0.973958333,0.762228261,1.001785714,0.973958333,1.246666667,1.113095238,0.723511905,1.100996377,0.973958333,0.762228261,1.001785714,0.973958333,1.246666667,1.113095238,0.723511905,1.100996377,0.973958333,0.762228261,1.001785714,0.973958333,1.246666667,1.113095238,0.723511905,1.100996377,0.973958333,0.762228261,1.123389761,0.767907033,1.307919075,1.265904555,0.563625103,0.928185474,1.036752446,0.681452626,106.0997345,53.04986724,84.94455812,106.0997345,6.631233405,53.04986724,-2.84E-14,0,0,0,92.94994989,5.809371868,7.25129788,106.0997345,53.04986724,84.94455812,106.0997345,6.631233405,53.04986724,-2.84E-14,0,0,0,92.94994989,5.809371868,7.25129788,106.0997345,53.04986724,84.94455812,106.0997345,6.631233405,53.04986724,-2.84E-14,0,0,0,92.94994989,5.809371868,7.25129788,106.0997345,53.04986724,84.94455812,106.0997345,6.631233405,53.04986724,-2.84E-14,0,0,0,92.94994989,5.809371868,7.25129788,106.0997345,53.04986724,84.94455812,106.0997345,6.631233405,53.04986724,-2.84E-14,0,0,0,92.94994989,5.809371868,7.25129788,106.0997345,53.04986724,84.94455812,106.0997345,6.631233405,53.04986724,-2.84E-14,0,0,0,92.94994989,5.809371868,7.25129788,125.4461794,62.48072856,102.9097026,125.3255196,7.832844977,62.48072856,-0.193055556,1.22E-15,7.63E-17,-54.94224848,85.0734956,5.317093475,7.109624859,0,11.85,12.15020408,-0.208447731,0.091775143,5.935621582,9.096535501,17,35,29,23,5,6,0,0,0,12,19.677726,3.84745129,3.770593245,3.200243703,2.897643361,2.619181914,2.619181914,2.531469845,2.120717333,2.032242417,1.951816786,1.604830817,1.394526135,1.24781206,1.082250302,1.082250302,0.86589343,3.858535006,3.781263838,3.22405979,2.923866995,2.645815032,2.645815032,2.581154189,2.17780886,2.001794129,1.92141356,1.539790917,1.312709461,1.150460802,1.007167592,1.007167592,0.76488617,3.909158219,3.830292577,3.335343598,3.054694401,2.801630505,2.771820215,2.771820215,2.414144418,1.919693702,1.84056003,1.358778965,1.083603873,0.845293738,0.798620231,0.798620231,0.458566165,3.866792135,3.789227651,3.241966146,2.944040975,2.665925019,2.665925019,2.617996769,2.21910153,1.983124792,1.902889026,1.499197105,1.261160342,1.086659566,0.960278991,0.960278991,0.700151373,3.935148041,3.855663385,3.393177178,3.126594588,2.907582672,2.838078588,2.838078588,2.521193122,1.896007555,1.817508214,1.306164897,1.019252783,0.745877889,0.738564276,0.738564276,0.356529114,3.872444645,3.815673347,3.193902641,2.965441701,2.754772753,2.754772753,2.655146273,2.26480158,1.985369629,1.870437763,1.517481444,1.204893755,1.012436943,0.860478659,0.860478659,0.655490208,0,0,0,8,4,2,2,0,0,0,0,0,0.166666667,0.284517797,0,0,0,0.055555556,0.094839266,0.98559856,0,0,0,0.569035594,0,0,0,1.682521985,1.872452091,2.511844635,0.823732373,0.793994808,0.940197724,11.38046889,7.737183443,6.829145585,5.254020195,3.706985288,3.276142375,1.801925798,0.934031714,0.711279306,0.455128438,0.310415708,0.210160808,0.132392332,0.091003955,0.064354493,0.038917988,10.03301572,5.849841191,4.471197119,2.943555149,1.798166463,1.397568447,0.728353666,0.338782012,0.627063482,0.344108305,0.203236233,0.117742206,0.064220231,0.038821346,0.026012631,0.014115917,20.87645023,32.99053168,31.52941176,31.84,23.18699042,254.4531581,0.614013242,0.970309755,0.92733564,0.936470588,0.681970306,7.483916414,3.52784,67.572,105.4036001,153.4597352,210.8072002,13.17545001,105.4036001,1.11E-16,6.94E-18,-58.77888091,113.6416475,7.102602966,7.572880087,284,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,2,0,0,8,0,0,0,0,0,0,0,0,2,0,2,0,0,8,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.15259221,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.127932099,0,0.890555556,0,0,3.127932099,0,0,0,0,0,0,0,0,4.257445583,0,2.256628874,0,0,17.64284979,0,0,0,0,5.509742416,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.332486949,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.387885802,0,0.445277778,0,0,0.387885802,0,0,0,0,0,0,0,0,2.128722791,0,1.128314437,0,0,2.184994856,0,0,0,0,1.332486949,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.225717593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.394097222,0,0.445277778,0,0,0.394097222,0,0,0,0,0,0,0,0,2.128722791,0,1.128314437,0,0,2.225717593,0,0,0,0,1.422384259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,29.66666667,1.854166667,0.445277778,2.225717593,0.145815972,1.128314437,9.304072181,0.371685563,0.225717593,3.800590754,0.371685563,0.225717593,3.800590754,8,0.5,0,0,0.48824,0.7,0.43913,0.43913,0.7,0.0491,0.0491,0,0,0.71429,0,0,0.125,0.25,0,20.5,1.28125,8.5,0.53125,12,0.75,3.5,0.21875,0,0,10.8367,0.67729,21.85532,11.01861,0.68866,3.6916,0.23072,7.73716,4.04556,0.25285,0.17684,0.01105,0.34884,0.0218,0.411764706,49,0,0,0,0,0,0,0.25,0.997502546,2.345719284,2.748940047,3.219528282,3.572469459,3.4548224,33.91508658,79.75445565,93.4639616,109.4639616,121.4639616,117.4639616,0.196070729,0.461078411,0.540336143,0.632835734,0.702210428,0.67908553,4.089960295,2.741743557,2.338522794,1.867934559,1.514993382,1.632640441,0.186186255,0.43783416,0.513096288,0.600932717,0.666810039,0.644850931,6.630523011,17.04166897,18.74124201,24.38830083,23.45080673,23.33223908,57.87132895,47.1862199,43.14909422,31.11411486,32.05529133,32.54645905,12.4567474,6.074380165,4.0768,2,6,2,3.22,1.8878,0.090909091,4.228838706,1.95569209,0,13.91101436,14.34924961,0,1.321802152,0,0,0,0,0,0,0,0,0,0,0,0.003,0.173,0.16,0.931,1.304,8.018,22,25,28,36,28,24,28,28,24,276,3.17805383,3.737669618,4.197201948,4.641984159,5.179674586,4.912654886,4.835289351,5.264631309,5.668371163,5.901266279,7.333798857,5.544157609,0.454545455,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.176470588,5,0.294117647,1,6,11,0.833333333,3.5,1.555555556,0.25,0.684444444,0.291666667,0.08,0.173611111,0.131015369,0.04,0.041220284,0.205882353,0.070707071,0.013157895,0.057037037,0.024305556,0.006666667,0.017361111,0.016376921,0.008,0.020610142,0.440104752,65.56577876,103.0884537,131.1315575,8.195722345,65.56577876,1.11E-15,6.94E-17,-55.09474476,102.6083738,6.413023361,7.409471272,0,222.9605431,5,4.369447852,5.153291594,5.96870756,6.769641977,7.583247524,8.390041406,9.202610574,10.01166909,10.82383006,101.2724876,3.555348061,0,4.812184355,0,6.255750042,0,7.77443551,0,9.326789185,9.568364405,210.1408506,6.180613252,32.30593039,2.01912065,0,0,0,508,19,5.182,78,1.248770655,2.193744832,3.057607828,3.834033569,4.744422179,5.662985732,6.437191461,7.194837283,8.348605552,8.90941915,104.8686031,140.4848744,144.1791205,117.4172307,152.5560378,268.4215209,234.0539715,234.3080688,289.805843,155.8862628,352.9765838,503.8270127,585.2826685,551.9776042,644.2396304,1063.189227,994.6690408,1001.233393,1331.924362,947.6521411,9.175476215,15.89026826,22.00559251,27.17748555,33.30275332,40.60942381,45.63259493,50.6217609,59.60467592,62.39116259,2.528318145,3.758428438,4.61764221,4.677021053,5.36933849,8.349816507,8.152778123,8.338697007,11.07667985,8.820681886,173.3351136,320.4189265,454.9943658,600.5057811,770.2225771,854.7422019,1010.263896,1158.555004,1275.053376,1450.372635,3.319923537,5.123869521,6.747473849,7.213455962,8.130439886,12.25869816,12.75212326,13.22676226,17.86311911,15.43039074,0.518719065,0.777595791,0.964862706,0.990407936,1.136539494,1.744358079,1.717847582,1.763960813,2.336097258,1.897872869,376.6057497,297.2573623,15.87868278,149.0351593,-117.6344184,-7.424894394,227.5705905,414.8917807,23.30357717,0.716469634,0.565514132,0.030208232,0.283530366,-0.223792358,-0.014125412,197.9593886,156.2506301,8.346485248,78.33897659,-61.83346262,-3.902828238,0.078596968,0.074217547,1.081487516,0.947620963,525.640909,0,1,0,1265.228835,35.57005532,10.81574303,1441.293983,37.96437782,11.29581379,2353.791702,48.51589123,13.30217558,2.551733637,2.551733637,2589.533283,2379.638723,311.9576016,1.088204381,8.300914194,7.628083788,6.097746119,6.700045517,12.26970906,0.831287419,5.673695483,6.189177801,6.493843746,18.14697114,6.847693369,12.07107879,10.73351602,15.45812863,11.81262004,9.852430585,9.078283959,8.840460082,6.230840332,12.3509654,6.954974133,7.041719616,6.452154697,7.892259364,2.70412559,1.100363195,3.859325004,3.041891752,0.077834751,0.00499218,6.89E-24,1.84E-66,9.47E-131,9.40E-217,0,0,0.476354465,6.188971125,0.515100975,10.29267116,1.639926948,2.395111481,1.219642695,2.845074486,4.692844621,1.825186354,3.363906485,1.109942219,1.685351575,2.742869566,1.515708933,2.513180568,0.442765596,3.214461498,0.226939214,0.074276553,0.156707836,0.107402817,5.49E-04,3.52E-05,4.85E-26,1.29E-68,6.67E-133,6.62E-219,0,0,1.53724257,6.188985452,1.681314015,11.46224329,2.337860685,3.77952271,2.989218377,4.899892262,5.555079098,2.977758347,4.153285047,1.934922836,2.418684137,4.102589318,2.572008254,3.181503345,1.494347177,3.684881724,0.732585711,0.251655708,0.515357447,0.444153101,0.005713458,3.66E-04,5.05E-25,1.35E-67,6.95E-132,6.90E-218,0,0,5.35551799,6.189155293,6.108663787,17.51272271,6.399723575,11.26976707,10.09009103,14.50208715,11.16765381,9.189092005,8.595066876,8.100822915,5.883761606,11.54997479,6.602893181,6.673904192,6.022332765,7.434516873,2.552473996,1.026202662,3.492160761,2.769472097,0.069349583,0.004447942,6.14E-24,1.64E-66,8.44E-131,8.38E-217,0,0,2.265508996,6.189003559,2.49796863,12.39387992,2.925370842,4.905256793,4.255168316,6.464792345,6.322475016,3.913254379,4.807121951,2.724822373,2.979844611,5.214591344,3.313149632,3.716312106,2.268204749,4.151644207,1.079696196,0.382942295,0.879476316,0.753186535,0.012409601,7.96E-04,1.10E-24,2.93E-67,1.51E-131,1.50E-217,0,0,6.851763526,6.189272331,7.941752877,20.66949746,8.652968622,15.27522919,13.18508154,19.20670111,14.43805551,12.50367298,11.01887023,11.88145854,7.594041998,15.55828003,8.280250131,8.506423075,8.113910342,9.781652741,3.265623205,1.387826804,5.378287813,4.155875144,0.113513618,0.007280625,1.00E-23,2.68E-66,1.38E-130,1.37E-216,0,0,3.138501555,5.36285165,3.32984912,13.29343495,3.447408246,6.222163415,5.986806651,8.177356997,7.154039305,5.102110828,5.339705077,3.667258088,3.58205265,6.872778401,4.225885445,4.862446324,3.285944889,4.874940887,1.487968554,0.570282575,1.433888794,1.210098557,0.022641197,0.001452087,2.00E-24,5.35E-67,2.75E-131,2.74E-217,0,0,13.26147624,2.162801484,0.512942946,0.832107211,0.13570757,0.540916009,0.534321396,0.273812705,15.93722067,36.59371494,67.24313467,0.748160816,1.34905011,11.08089147,1.244326601,0.243231489,0.881643469,0.099003986,0.378680121,0.177243004,0.060557235,12.56844956,16.78612918,32.70831484,0.822465203,0.616480361,11.80460896,1.549620294,0.334127754,0.862383188,0.11320718,0.42924682,0.274611908,0.115055552,13.68835701,22.75468024,42.55512319,0.793574783,0.81891428,13.1904678,2.132954805,0.504333929,0.833375708,0.1347604,0.535167009,0.519700089,0.264610689,15.82775653,35.8627936,65.87981965,0.750063561,1.319477787,12.18029892,1.707916775,0.380718369,0.853623604,0.11969477,0.456780151,0.333462511,0.149842194,14.26893406,26.09043567,48.27942991,0.780435406,0.940084855,13.49137551,2.259407996,0.540750668,0.828121856,0.138686018,0.559744524,0.583034342,0.304603815,16.29153418,38.99976842,71.77474659,0.742182783,1.447382681,13.21217866,2.132676958,0.50347039,0.833663988,0.134567964,0.536929887,0.519537554,0.263402477,15.84832601,35.90298945,65.93775623,0.750495982,1.319869919 +UMLYSI0048,L,"2-ethynyl-1,4-dimethylbenzene",CC1=CC(=C(C=C1)C)C#C,aromatic,C10H10,74331-70-7,15312288,PubChem,,512.7,0,2.8655,8.21109025,46.0639,24.26793,6,6,20,10,10,0,10,0,0,0,0,0,0,0,0,0,1452.80185,1563.71209,2038.922101,2010.64854,1322.686687,649.789563,149.349312,13.208832,0,4546.006462,5382.535181,7183.798202,7752.228742,6143.871166,3562.994372,1501.174374,404.0886776,0,142.5898,146.58148,230.866708,260.910192,297.909052,217.524396,112.28544,87.340032,0,32.33512905,39.0244431,53.39945346,59.52293203,51.8070368,32.18769522,15.14098334,5.779967763,0,3117.120081,2799.169038,4748.425662,5228.268523,6564.800706,5017.560552,2577.141181,2403.929476,0,60.58333333,62.94444444,80.44444444,99.11111111,101.6666667,72.66666667,36,13,0,72.6400925,78.1856045,63.71631566,55.85134833,31.49254017,20.96095365,9.334332,1.016064,0,227.3003231,269.1267591,224.4936938,215.3396873,146.2826468,114.9353023,93.82339839,31.08374443,0,7.12949,7.329074,7.214584625,7.247505333,7.093072667,7.016916,7.01784,6.718464,0,1.616756452,1.951222155,1.668732921,1.653414779,1.233500876,1.038312749,0.946311459,0.444612905,0,155.8560041,139.9584519,148.3883019,145.2296812,156.3047787,161.856792,161.0713238,184.917652,0,3.029166667,3.147222222,2.513888889,2.75308642,2.420634921,2.344086022,2.25,1,0,0.065877912,-0.012997532,-0.011437995,-9.24E-04,-0.003643179,-0.011648586,-0.017329859,0.025042455,0,605.330045,1.21E-13,181.5990135,-302.6650225,-242.132018,-90.79950675,-242.132018,393.4645292,0,1125.637067,3.13E-13,337.6911202,-562.8185336,-450.2548269,-168.8455601,-450.2548269,731.6640937,0,0.11858,1.37E-15,0.035574,-0.05929,-0.047432,-0.017787,-0.047432,0.077077,0,5.032121424,7.88E-15,1.509636427,-2.516060712,-2.01284857,-0.754818214,-2.01284857,3.270878926,0,27.33456344,4.00E-14,8.200369033,-13.66728172,-10.93382538,-4.100184516,-10.93382538,17.76746624,0,10.97083333,-0.843055556,2.061944444,-1.111388889,-0.997083333,-2.683958333,-6.21,4.298125,0,0.003293896,-6.50E-04,-3.57E-04,-2.57E-05,-8.67E-05,-3.76E-04,-0.001083116,0.001926343,0,30.26650225,6.04E-15,5.674969172,-8.407361736,-5.765048048,-2.929016347,-15.13325113,30.26650225,0,56.28185336,1.56E-14,10.5528475,-15.63384816,-10.72035302,-5.44663097,-28.14092668,56.28185336,0,0.005929,6.84E-17,0.001111688,-0.001646944,-0.001129333,-5.74E-04,-0.0029645,0.005929,0,0.251606071,3.94E-16,0.047176138,-0.069890575,-0.047924966,-0.024348975,-0.125803036,0.251606071,0,1.366728172,2.00E-15,0.256261532,-0.379646714,-0.260329176,-0.132264017,-0.683364086,1.366728172,0,0.548541667,-0.042152778,0.064435764,-0.030871914,-0.023740079,-0.086579301,-0.388125,0.330625,0,-0.197297269,-0.108515084,-0.007794378,-0.026334277,-0.114077941,-0.328825294,0.584822013,0,2.00E-16,0.1875,-0.277777778,-0.19047619,-0.096774194,-0.5,1,0,2.78E-16,0.1875,-0.277777778,-0.19047619,-0.096774194,-0.5,1,0,1.15E-14,0.1875,-0.277777778,-0.19047619,-0.096774194,-0.5,1,0,1.57E-15,0.1875,-0.277777778,-0.19047619,-0.096774194,-0.5,1,0,1.46E-15,0.1875,-0.277777778,-0.19047619,-0.096774194,-0.5,1,0,-0.07684517,0.117467401,-0.056279979,-0.043278534,-0.157835414,-0.707557919,0.602734523,0,1.04697948,0.78360348,0.813116335,0.940135028,1.303971156,1.892922381,0.347490452,0,0.95,0.771875,1.213888889,1.130952381,1.041935484,1.425,0,0,0.95,0.771875,1.213888889,1.130952381,1.041935484,1.425,0,0,0.95,0.771875,1.213888889,1.130952381,1.041935484,1.425,0,0,0.95,0.771875,1.213888889,1.130952381,1.041935484,1.425,0,0,0.95,0.771875,1.213888889,1.130952381,1.041935484,1.425,0,0,0.935688062,0.423194392,0.737646116,1.018272355,1.623235281,2.38131409,0,0,35.33924959,17.6696248,24.50917107,35.33924959,3.533924959,17.6696249,-2.49E-14,0.034339551,0.003433955,-3.371457499,51.72874533,5.172874533,3.946013629,35.33924959,17.6696248,24.50917107,35.33924959,3.533924959,17.6696249,-2.49E-14,0.034339551,0.003433955,-3.371457499,51.72874533,5.172874533,3.946013629,35.33924959,17.6696248,24.50917107,35.33924959,3.533924959,17.6696249,-2.49E-14,0.034339551,0.003433955,-3.371457499,51.72874533,5.172874533,3.946013629,35.33924959,17.6696248,24.50917107,35.33924959,3.533924959,17.6696249,-2.49E-14,0.034339551,0.003433955,-3.371457499,51.72874533,5.172874533,3.946013629,35.33924959,17.6696248,24.50917107,35.33924959,3.533924959,17.6696249,-2.49E-14,0.034339551,0.003433955,-3.371457499,51.72874533,5.172874533,3.946013629,35.33924959,17.6696248,24.50917107,35.33924959,3.533924959,17.6696249,-2.49E-14,0.034339551,0.003433955,-3.371457499,51.72874533,5.172874533,3.946013629,47.58261072,23.326587,32.34568794,47.19711072,4.719711072,23.326587,-0.6425,0.030836685,0.003083669,-3.479050217,45.57427995,4.557427995,3.819343521,0,11.69,12.3100528,-0.402848162,0.218809361,4.900855288,8.81475865,10,20,16,13,3,3,0,1,0,7,10.93207,3.851001899,3.165037101,2.970319931,2.467410818,2.321343437,1.79763594,0.85643018,0.38727116,1.997712089,1.523317499,1.347742288,1.192512729,0.906749952,0.543879064,0.115485314,0.083923071,3.859141264,3.17899044,2.99688828,2.507632218,2.370702697,1.85491813,0.960021608,0.499660563,1.971792133,1.449812205,1.296586952,1.094295483,0.822343707,0.439368666,0.02313874,0.270913902,3.897302011,3.253228026,3.117409911,2.725571225,2.549412239,2.088807738,1.397056182,0.95980082,1.905458695,1.271557088,1.141073178,0.772107171,0.581916329,0.132549414,0.522719892,0.943918427,3.865253546,3.189827692,3.016809714,2.540202908,2.404391397,1.896107246,1.036151839,0.581859472,1.95626073,1.405387583,1.264682302,1.028259631,0.769242639,0.373352082,0.119149043,0.399277246,3.917564653,3.300618954,3.174173637,2.838709888,2.628633956,2.194361074,1.58781677,1.207644823,1.887227279,1.231923322,1.08686866,0.666815077,0.507619697,0.032080831,0.708648158,1.148357175,3.83774855,3.466450103,2.96618529,2.525636682,2.420692947,1.846985822,1.074562149,0.633655177,2.057200043,1.450590688,1.110983707,1.02630517,0.647510939,0.371440159,0.144397416,0.465116279,1,1,0,3,3,2,0,0,0,0,0,0,0.068041382,0.184195286,0,0,0,0.024056261,0.060140653,0.691044062,0,0.11785113,0,0.383173018,0,0.041666667,0,1.41820032,1.837206481,2.347559179,0.609980337,0.61878554,0.720957852,7.560477932,4.736382105,4.063836075,3.149041354,2.219131906,1.671267628,0.587806669,0.212378949,0.756047793,0.473638211,0.312602775,0.20993609,0.138695744,0.09830986,0.065311852,0.053094737,6.309401077,3.276709006,2.46271324,1.548575314,0.891346035,0.60762099,0.167031659,0.03794515,0.630940108,0.327670901,0.18943948,0.103238354,0.055709127,0.035742411,0.018559073,0.009486288,12.70913902,19.43918427,18.62745098,18.8,13.99277246,148.8547485,0.635456951,0.971959213,0.931372549,0.94,0.699638623,7.442737425,1.80353,41.012,42.60022158,58.59403027,85.20044317,8.520044317,42.60022158,0.005572597,5.57E-04,-5.189894143,64.21742664,6.421742664,4.162274617,80,1,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,2,0,0,1,0,3,0,0,1,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.580138889,0,0,17.43560185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.580138889,0,0,1.305763889,0,0,0,0,1.305763889,0,0,0,0,0,0,0,0,4.064398148,0,0,5.269537037,0,6.134953704,0,0,2.636064815,0,3.395046296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.580138889,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.580138889,0,0,0.423541667,0,0,0,0,0.423541667,0,0,0,0,0,0,0,0,2.022453704,0,0,5.269537037,0,2.023148148,0,0,2.636064815,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.580138889,0,0,5.269537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.580138889,0,0,0.45,0,0,0,0,0.45,0,0,0,0,0,0,0,0,2.041944444,0,0,5.269537037,0,2.065648148,0,0,2.636064815,0,1.22087963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.5,2.15,0.580138889,5.269537037,0.203125,1,5.246841574,0.666666667,1.269537037,3.209907407,0.666666667,1.269537037,3.209907407,5,0.5,0,0,0.5,0.7,0.43333,0.43333,0.7,0.06667,0.06667,0,0,0.71429,0,0,0.3,0.3,0,14,1.4,5,0.5,9,0.9,4,0.4,0,0,5.21223,0.52122,12.04465,6.83243,0.68324,1.94996,0.195,4.73636,2.78641,0.27864,0.17764,0.01776,0.26364,0.02636,0.3,10,0,0,0,0,0,0,0.25,1,2.870950594,3.10869497,3.446439345,3.846439345,3.746439345,20,57.41901189,62.17389939,68.92878689,76.92878689,74.92878689,0.231378213,0.664275419,0.719284287,0.797430977,0.889982263,0.866844441,3.321928095,1.4509775,1.213233125,0.87548875,0.47548875,0.57548875,0.215338279,0.61822556,0.669421025,0.742150317,0.828285629,0.806751801,6.503912516,21.83534802,24.68828052,27.22710275,27.63023276,26.43023276,35,23.82643881,20.32636699,17.18890078,16.29343894,17.6865958,8.1,3.408284024,1.991111111,1,8,0,2.56,1.194,0.646330407,4.431312644,3.807442432,0,2.620741394,7.485690587,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0.085,0.146,0.132,0.614,0.824,4.383,13,15,16,17,9,4,1,0,0,95,2.772588722,3.277144733,3.81220267,4.274928499,4.706710916,4.406719247,4.23907602,3.168897455,0,0,6.105769318,4.709868421,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,0,3,5,0.666666667,2.5,1.333333333,0.6875,0.533333333,0.0625,0,0,0,0,0,0.25,0.102564103,0.057291667,0.076190476,0.020833333,0,0,0,0,0,0.506879579,23.74880641,33.19882277,47.49761282,4.749761282,23.74880641,0.044471669,0.004447167,-3.112902943,47.56259181,4.756259181,3.862046566,0,145.0775528,4.321928095,3.850147602,4.634728988,5.459585514,6.267200549,7.090909822,7.905072849,8.726967775,9.543449818,10.36429276,83.84235567,3.044522438,0,4.290459441,0,5.752572639,0,7.311218384,0,8.913415718,9.142382679,130.0782503,6.503912516,19.39764338,1.939764338,0,0,0,115,12,3.282,46,1.233915187,2.181274685,3.10489358,3.879919372,4.907006511,5.940039494,6.764096028,0,0,0,104.8541642,150.6452172,182.0958121,133.5373953,111.562354,57.9238725,6.872754467,0,0,0,351.6586101,520.7466976,689.9694953,603.8411754,584.4316528,576.0015141,210.2534323,0,0,0,9.070269772,15.79834097,22.53728553,27.61833996,34.46054422,41.77541502,45.44433566,0,0,0,2.513872923,3.82272191,5.253586627,5.01906116,5.206300679,5.770556883,3.007404384,0,0,0,171.0274521,319.3972415,448.6422934,599.1879717,792.4464259,949.6674656,1250.800756,0,0,0,3.950073666,5.729211095,8.745250349,9.765560328,11.64414652,13.73813747,6.764096028,0,0,0,0.515557418,0.788773876,1.090329481,1.058991668,1.112677987,1.252009938,0.692643433,0,0,0,266.8996326,135.2660419,12.6065213,142.2422506,-72.08906972,-9.482246421,124.657382,207.3551116,22.08876772,0.65234004,0.33060913,0.030812102,0.34765996,-0.176195771,-0.023175937,109.1998183,55.3430031,5.157855863,58.19726225,-29.49465774,-3.879584157,0.244080384,0.225499324,7.300202478,9.119861452,409.1418831,0,1,0,786.4540755,28.04378854,9.230483616,884.374497,29.73843468,9.598692302,1354.538266,36.8040523,11.06446517,1.434546803,1.434546803,649.4551015,445.1819351,211.0162678,1.458853224,3.077748973,2.109704336,4.36098563,4.340761948,7.502699066,0.728429054,3.211284689,2.902542065,2.970558212,8.914477197,0.163104233,8.240863228,5.176592995,7.720426596,1.833398209,3.113506033,1.565244174,5.171731641,0.067148129,2.65268734,2.96E-11,8.87E-44,5.37E-98,6.49E-174,1.55E-271,0,0,0,0,0,0,0,0,0,0,0,0.27989528,2.902420112,0.226412407,5.203203746,0.038694573,3.151960731,1.325218975,0.602555137,0.036591615,0.203476359,0.195346225,0.201929535,0.005633135,0.018683094,2.08E-13,6.25E-46,3.78E-100,4.57E-176,1.09E-273,0,0,0,0,0,0,0,0,0,0,0,0.878254353,2.902428549,0.742841311,5.806273565,0.064007288,3.821178619,2.108199657,1.934102862,0.177799562,0.62330533,0.474970849,0.804789184,0.018185857,0.194692242,2.17E-12,6.51E-45,3.94E-99,4.77E-175,1.14E-272,0,0,0,0,0,0,0,0,0,0,0,3.03182713,2.902528778,2.787100508,8.632625713,0.155458972,7.798594809,4.939694306,7.241741896,1.643603842,2.873740481,1.481379737,4.721879517,0.063380881,2.363496662,2.63E-11,7.90E-44,4.79E-98,5.79E-174,1.38E-271,0,0,0,0,0,0,0,0,0,0,0,1.289009099,2.902439228,1.110331896,6.266130463,0.081408006,4.39029849,2.646631656,2.884203399,0.341707405,0.963219473,0.66692461,1.340840921,0.026804035,0.422897567,4.71E-12,1.41E-44,8.56E-99,1.04E-174,2.48E-272,0,0,0,0,0,0,0,0,0,0,0,3.875735255,2.902597872,3.667376664,10.02009733,0.191444109,10.0268176,6.054994265,9.541528583,2.626722732,4.071209863,1.87575674,7.002654439,0.081098079,3.868695182,4.31E-11,1.29E-43,7.83E-98,9.47E-174,2.27E-271,0,0,0,0,0,0,0,0,0,0,0,1.601284776,2.100088742,1.069901842,6.142142766,0.080721042,5.540920333,2.814683731,3.166168873,0.463724469,1.510211815,0.767698691,2.488274219,0.029046704,0.573864216,6.39E-12,1.92E-44,1.16E-98,1.40E-174,3.36E-272,0,0,0,0,0,0,0,0,0,0,0,5.127647531,2.499856652,0.16724565,0.657833496,0.320710312,0.595571272,0.499250311,0.200014999,7.794749834,14.09405069,24.03261945,0.486750244,1.294836581,3.419863309,1.603989348,0.025901947,0.677233564,0.317637088,0.263743038,0.228302639,0.00479751,5.049754605,5.615551887,10.80738966,0.515850346,0.496843187,3.945918199,1.914278731,0.07130434,0.665247805,0.322730898,0.350900772,0.328224071,0.036356632,5.93150127,7.971444758,14.44154959,0.497871707,0.715481476,5.066658101,2.471968645,0.162420786,0.65791804,0.32099122,0.581284327,0.491500253,0.188640989,7.701047532,13.74904964,23.48435579,0.486877061,1.261425569,4.235947211,2.068983875,0.0954475,0.661827602,0.323259608,0.404678445,0.375892144,0.065145011,6.400378586,9.365896385,16.60278702,0.492741403,0.8457156,5.32732689,2.589939193,0.18297587,0.657675033,0.319736029,0.643612263,0.524263283,0.239409132,8.100241954,15.24612136,25.87096423,0.486512549,1.407284678,5.081483393,2.492935198,0.161461356,0.656872059,0.32225619,0.58409693,0.510181137,0.186418865,7.735879947,13.89078471,23.67202625,0.485308089,1.280696931 +UMLYSI0049,L,2-methylindene,CC1=CC2=CC=CC=C2C1,aromatic,C10H10,2177-47-1,16587,PubChem,,500.1,0,2.3826,5.67678276,47.7172,24.26793,6,6,20,10,10,0,10,0,0,0,0,0,0,0,0,0,1452.80185,1707.976211,2373.846567,1928.951987,1148.197686,477.24701,106.00128,6.096384,0,4546.006462,5806.052083,8427.610982,7964.562411,5562.646882,2785.66926,1197.646631,186.5024666,0,142.5898,154.121996,260.98134,302.394764,309.326424,168.87476,117.407232,40.310784,0,32.33512905,41.8133431,62.54220489,63.19097939,48.3451813,25.39325498,12.90987062,2.667677429,0,3117.120081,2925.963394,5244.669261,6236.922209,7088.144619,3844.850492,2889.23925,1109.505912,0,44.58333333,55.44444444,84.05555556,92.16666667,77.33333333,43.83333333,25,6,0,72.6400925,81.33220052,65.94018242,45.92742826,26.09540195,19.88529208,6.235369412,1.016064,0,227.3003231,276.4786706,234.1003051,189.6324384,126.4237928,116.0695525,70.44980181,31.08374443,0,7.12949,7.339142667,7.249481667,7.199875333,7.030146,7.036448333,6.906307765,6.718464,0,1.616756452,1.991111576,1.737283469,1.504547128,1.09875412,1.058052291,0.759404154,0.444612905,0,155.8560041,139.3315902,145.6852572,148.4981478,161.0941959,160.2021038,169.95525,184.917652,0,2.229166667,2.64021164,2.334876543,2.194444444,1.757575758,1.826388889,1.470588235,1,0,0.049179765,0.001178283,-0.014824804,-0.016464232,0.00142325,-0.009167514,0.003089572,0.010175563,0,605.330045,30.26650225,60.5330045,-423.7310315,-1.49E-13,-181.5990135,30.26650225,181.5990135,0,1125.637067,56.28185336,112.5637067,-787.945947,-3.13E-13,-337.6911202,56.28185336,337.6911202,0,0.11858,0.005929,0.011858,-0.083006,-1.34E-15,-0.035574,0.005929,0.035574,0,5.032121424,0.251606071,0.503212142,-3.522484997,-8.88E-15,-1.509636427,0.251606071,1.509636427,0,27.33456344,1.366728172,2.733456344,-19.13419441,-5.02E-14,-8.200369033,1.366728172,8.200369033,0,3.970833333,-0.237430556,0.408055556,-2.334583333,0.668333333,-1.244166667,-0.329375,1.08375,0,0.002458988,5.61E-05,-4.12E-04,-3.92E-04,3.23E-05,-3.82E-04,1.82E-04,0.001695927,0,30.26650225,1.441262012,1.681472347,-10.08883408,-3.39E-15,-7.566625563,1.780382485,30.26650225,0,56.28185336,2.680088255,3.126769631,-18.76061779,-7.11E-15,-14.07046334,3.310697256,56.28185336,0,0.005929,2.82E-04,3.29E-04,-0.001976333,-3.06E-17,-0.00148225,3.49E-04,0.005929,0,0.251606071,0.011981241,0.013978115,-0.08386869,-2.02E-16,-0.062901518,0.014800357,0.251606071,0,1.366728172,0.065082294,0.075929343,-0.455576057,-1.14E-15,-0.341682043,0.080395775,1.366728172,0,0.198541667,-0.011306217,0.011334877,-0.055585317,0.015189394,-0.051840278,-0.019375,0.180625,0,0.022817796,-0.1674673,-0.159417401,0.013154429,-0.155340204,0.073908251,0.68968495,0,0.047619048,0.055555556,-0.333333333,-1.12E-16,-0.25,0.058823529,1,0,0.047619048,0.055555556,-0.333333333,-1.26E-16,-0.25,0.058823529,1,0,0.047619048,0.055555556,-0.333333333,-5.15E-15,-0.25,0.058823529,1,0,0.047619048,0.055555556,-0.333333333,-8.02E-16,-0.25,0.058823529,1,0,0.047619048,0.055555556,-0.333333333,-8.34E-16,-0.25,0.058823529,1,0,-0.056946318,0.057090669,-0.279968021,0.076504817,-0.261105282,-0.097586569,0.909758657,0,0.909863335,1.086765137,1.077895897,0.919599398,1.234265274,0.885180117,0.227482549,0,0.904761905,0.897222222,1.266666667,0.95,1.1875,0.894117647,0,0,0.904761905,0.897222222,1.266666667,0.95,1.1875,0.894117647,0,0,0.904761905,0.897222222,1.266666667,0.95,1.1875,0.894117647,0,0,0.904761905,0.897222222,1.266666667,0.95,1.1875,0.894117647,0,0,0.904761905,0.897222222,1.266666667,0.95,1.1875,0.894117647,0,0,1.037991972,0.812249815,1.226286247,0.838261948,1.309752827,1.125856429,0,0,34.84247444,17.42123722,25.89322398,34.84247444,3.484247444,17.42123736,0,0.144136258,0.014413626,-1.936996194,59.6256456,5.96256456,4.088085777,34.84247444,17.42123722,25.89322398,34.84247444,3.484247444,17.42123736,0,0.144136258,0.014413626,-1.936996194,59.6256456,5.96256456,4.088085777,34.84247444,17.42123722,25.89322398,34.84247444,3.484247444,17.42123736,0,0.144136258,0.014413626,-1.936996194,59.6256456,5.96256456,4.088085777,34.84247444,17.42123722,25.89322398,34.84247444,3.484247444,17.42123736,0,0.144136258,0.014413626,-1.936996194,59.6256456,5.96256456,4.088085777,34.84247444,17.42123722,25.89322398,34.84247444,3.484247444,17.42123736,0,0.144136258,0.014413626,-1.936996194,59.6256456,5.96256456,4.088085777,34.84247444,17.42123722,25.89322398,34.84247444,3.484247444,17.42123736,0,0.144136258,0.014413626,-1.936996194,59.6256456,5.96256456,4.088085777,39.37368443,19.19000477,29.04619285,39.32835109,3.932835109,19.1900048,-0.113333333,0.204230219,0.020423022,-1.588507399,56.14486144,5.614486144,4.027935162,0,11.9,12.10017173,-0.122197501,0.080225249,6.263055916,9.054036033,11,21,17,14,4,4,1,0,0,7,10.93207,3.913947315,3.30428318,2.715389307,2.570018602,1.999669985,1.938996414,0.800251095,0.7509397,1.934746524,1.739796889,1.229075475,1.121680075,0.9400784,0.528536622,0.240033893,0.005731322,3.922827292,3.322974919,2.739100014,2.606865278,2.053949061,1.988091705,0.902153461,0.87960224,1.908207819,1.689135278,1.143984828,1.049526322,0.849682673,0.401320748,0.072585005,0.130745638,3.963584245,3.410598481,2.858630189,2.780807777,2.296351414,2.188656019,1.397541212,1.324758307,1.837807439,1.553694485,0.942199535,0.811316069,0.559750451,3.82E-04,0.507611219,0.625548866,3.929451999,3.337027365,2.757245766,2.634980171,2.094281013,2.023282526,0.977309418,0.971498816,1.892046841,1.658090305,1.093427818,1.001115752,0.790650848,0.317870981,0.04103732,0.225338747,3.98465718,3.456680249,2.931051959,2.862764592,2.413910198,2.281578369,1.617662663,1.506849766,1.817830988,1.515519971,0.892876312,0.73704619,0.456487098,0.131651898,0.721468149,0.812768005,3.923687831,3.372625947,2.794581455,2.689682947,2.11994723,2.059239463,1.094071624,1.051922282,1.870089704,1.660395885,1.061081007,0.919027812,0.701731819,0.227794097,0.173584306,0.31011182,0,0,0,5,3,1,1,0,0,0,0,0.096225045,0.315641142,0.398271461,0,0,0.051031036,0.137734379,0.145635964,0.622008468,0,0.083333333,0,0.389519551,0,0.034020691,0,1.232890204,2.063907969,2.403703061,0.628749153,0.900893513,0.888873397,6.974691495,4.860173345,4.381192597,3.476733295,3.034935746,2.232974876,1.110941608,0.679283084,0.697469149,0.44183394,0.292079506,0.182985963,0.12139743,0.085883649,0.058470611,0.039957828,6.093858127,3.61180732,2.866280655,1.9262858,1.452890865,0.902831748,0.377590272,0.195204215,0.609385813,0.32834612,0.191085377,0.101383463,0.058115635,0.034724298,0.019873172,0.011482601,12.70913902,19.43918427,18.62745098,18.8,13.99277246,148.8547485,0.635456951,0.971959213,0.931372549,0.94,0.699638623,7.442737425,2.46329,42.735,62.71559328,77.14518177,125.4311866,12.54311866,62.71559328,0.036276497,0.00362765,-3.316585204,568.5599968,56.85599968,6.343106843,87,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,4,0,0,2,1,5,0,0,0,0,0,0,0,0,1,0,1,0,1,4,0,0,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.17046296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.394444444,1.697083333,0,0,0.805,0.394444444,2.091527778,0,0,0,0,0,0,0,0,2.180555556,0,1.148981481,0,2.259259259,8.56287037,0,0,0,1.473333333,2.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.402777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.394444444,0.412222222,0,0,0.355416667,0.394444444,0.394444444,0,0,0,0,0,0,0,0,2.180555556,0,1.148981481,0,2.259259259,2.091203704,0,0,0,1.473333333,1.402777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.394444444,0.433055556,0,0,0.449583333,0.394444444,0.433055556,0,0,0,0,0,0,0,0,2.180555556,0,1.148981481,0,2.259259259,2.196759259,0,0,0,1.473333333,1.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.5,1.85,0.449583333,2.259259259,0.125,1.148981481,5.055959907,0.351018519,0.259259259,2.00537037,0.351018519,0.259259259,2.00537037,5,0.5,0,0,0.5,0.7,0.44286,0.44286,0.7,0.05714,0.05714,0,0,0.71429,0,0,0.1,0.3,0,13,1.3,5.5,0.55,7.5,0.75,2,0.2,0,0,5.49019,0.54902,11.22841,5.73822,0.57382,2.26729,0.22673,4.86015,2.59287,0.25929,0.05385,0.00538,0.22585,0.02258,0.45,31,0,0,0,0,0,0,0.2,1,2.580482024,3.303701696,3.88418372,3.98418372,3.98418372,20,51.60964047,66.07403392,77.6836744,79.6836744,79.6836744,0.231378213,0.59706732,0.764404595,0.898715489,0.92185331,0.92185331,3.321928095,1.741446071,1.018226399,0.437744375,0.337744375,0.337744375,0.215338279,0.555676558,0.711413438,0.836413438,0.857947266,0.857947266,6.503912516,19.97360932,25.98403068,27.66827249,27.76905499,27.76905499,35,26.48289214,18.75496128,16.17447925,15.94228644,15.94228644,6.694214876,2.56,1.24099723,0,8,0,2.56,1.1284,0,1.754410643,1.44224957,0,6.861717649,9.594153733,0,1.889881575,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.755,1.024,5.167,15,19,25,26,19,17,15,2,0,159,2.772588722,3.349904087,3.865979067,4.452892751,4.860296783,4.80811103,5.024086092,5.196941955,3.168897455,0,6.669775653,4.951061321,0.4,2,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,3,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.090909091,0,3,5,0.666666667,2,0.888888889,0.791666667,0.257222222,0.08,0,0,0,0,0,0.181818182,0.059259259,0.071969697,0.04287037,0.04,0,0,0,0,0,0.395917508,22.10781918,32.25733988,44.21563836,4.421563836,22.10781918,0.003386663,3.39E-04,-5.687910251,339.2764706,33.92764706,5.826815322,0,135.3575528,4.321928095,3.970291914,4.795790546,5.659482216,6.50578406,7.372118028,8.224967479,9.089866219,9.945636666,10.80902063,87.37295775,3.135494216,0,4.418840608,2.397895273,5.899897354,4.727387819,7.470224136,6.803505258,9.085117227,9.399058096,130.0782503,6.503912516,20.43398604,2.043398604,0,0,0,108,11,2.985,52,1.263027991,2.216497168,3.163928409,4.006377711,5.38965274,6.281104274,7.548390869,0,0,0,112.543987,157.100545,156.0388577,118.3503142,115.6260677,41.27955155,7.66964822,0,0,0,372.1423798,546.958801,627.8590001,551.5486481,648.3635909,458.4512909,234.6322527,0,0,0,9.300962496,16.11925476,22.8319198,28.29019978,37.97022241,43.45534212,50.71359231,0,0,0,2.639306979,4.012347731,4.921992261,4.694107133,5.837515014,4.897431007,3.356111991,0,0,0,174.023539,319.4470167,466.2602323,636.0964823,860.1908419,1061.444789,1395.830716,0,0,0,3.436500321,5.341001079,7.095063673,7.386984435,10.00922546,9.42757187,7.548390869,0,0,0,0.540449674,0.827416302,1.027043982,0.995438576,1.248507648,1.076139019,0.772955225,0,0,0,291.2146434,135.2123467,13.4939512,210.7688621,-97.86098707,-10.980762,80.44578133,233.0733338,24.4747132,0.580127913,0.269356155,0.026881264,0.419872087,-0.194948611,-0.021874747,146.1849476,67.87436778,6.773740925,105.8024922,-49.12460134,-5.512161401,0.134291673,0.145906079,3.876902955,3.790141836,501.9835055,0,1,0,806.1276077,28.39238644,9.306818939,904.0595299,30.06758271,9.669388493,1370.213241,37.01639152,11.10698162,1.491117565,1.426063466,644.5990691,521.1369498,130.1636414,1.236909165,4.95222062,4.003705981,4.125463606,4.295117509,7.698779905,0.792449191,3.19735246,4.822021391,4.034848739,8.427544935,7.501770221,5.654273182,3.060883571,3.653014078,3.091283199,4.166781099,2.72105552,3.15275441,0.410436888,2.354801568,1.18E-04,1.32E-28,2.93E-74,1.25E-141,1.03E-230,0,0,0,0,0,0,0,0,0,0,0,0.268382277,4.821917941,0.338888763,4.538267542,0.613330982,0.99624002,0.371905955,0.724526586,1.323662414,0.278904443,0.70622097,0.25783501,0.03443991,0.016585375,8.33E-07,9.29E-31,2.06E-76,8.82E-144,7.28E-233,0,0,0,0,0,0,0,0,0,0,0,0.866247535,4.821925128,1.06640075,4.930063917,1.953117639,1.796294498,0.821324546,1.316159447,1.494726062,0.946979408,0.841407077,0.836772355,0.111179663,0.172829921,8.68E-06,9.68E-30,2.15E-75,9.19E-143,7.59E-232,0,0,0,0,0,0,0,0,0,0,0,3.018043004,4.82201013,3.799064059,8.047200725,7.056613471,5.315781587,2.861080965,3.471564212,2.91594507,3.884362003,2.500039214,2.971292303,0.387415352,2.098086019,1.05E-04,1.18E-28,2.61E-74,1.12E-141,9.21E-231,0,0,0,0,0,0,0,0,0,0,0,1.276663291,4.821934197,1.573805723,5.318408114,2.892522242,2.390267432,1.159367776,1.724118131,1.668495242,1.442862467,1.016183328,1.237751037,0.163861844,0.375408909,1.89E-05,2.10E-29,4.67E-75,2.00E-142,1.65E-231,0,0,0,0,0,0,0,0,0,0,0,3.861254667,4.822068682,4.918663274,9.997297359,9.176612642,6.968107574,3.840612981,4.327305085,3.816697503,5.262871653,3.650275891,3.829437953,0.495678989,3.434255752,1.73E-04,1.92E-28,4.27E-74,1.83E-141,1.51E-230,0,0,0,0,0,0,0,0,0,0,0,1.786961152,4.519157273,1.983744592,6.020206309,3.93327239,3.005567406,1.50392283,2.150342471,2.145822863,2.145963114,1.402542134,1.816699847,0.23982643,0.688036717,3.46E-05,3.85E-29,8.55E-75,3.66E-142,3.02E-231,0,0,0,0,0,0,0,0,0,0,0,5.751552802,1.778959239,0.166211159,0.747272918,0.231132028,0.554498663,0.480653171,0.199998058,7.6967232,11.48343313,20.880792,0.620909377,1.235149892,4.060544364,0.976923369,0.025742248,0.801970367,0.192945458,0.27636442,0.144960592,0.004797299,5.063209981,4.09651642,9.261841795,0.70295555,0.426122311,4.603728848,1.234553938,0.070863638,0.779085255,0.20892255,0.355254233,0.23149335,0.036353931,5.909146423,6.097273533,12.4091771,0.668627882,0.623101513,5.69382896,1.751581297,0.161416156,0.748515695,0.230264397,0.5434238,0.465973528,0.188625058,7.606826413,11.17501382,20.39167654,0.622773543,1.198022386,4.892572804,1.371551132,0.094857372,0.769395689,0.215687241,0.40123362,0.285717782,0.065139878,6.358981307,7.304612099,14.30012562,0.654093533,0.75209128,5.9397465,1.868217897,0.181844025,0.743415385,0.233825118,0.591381262,0.530093207,0.239388681,7.989808422,12.51657239,22.5242568,0.615123077,1.36086315,5.706601705,1.752078013,0.16129725,0.748900125,0.229932193,0.545855551,0.466251602,0.188347264,7.619976968,11.20147591,20.43416914,0.623350188,1.200454416 +UMLYSI0050,L,azulene,C1=CC=C2C=CC=C2C=C1,aromatic,C10H8,275-51-4,9231,PubChem,,492.3,0,1.9478,3.79392484,49.1528,22.934344,10,10,18,10,8,0,10,0,0,0,0,0,0,0,0,0,1450.769722,1683.762035,2213.411102,2123.671717,1138.037046,298.693753,30.31056,1.016064,0,4483.838973,5576.57885,7765.022486,7986.954517,5251.809437,2080.109998,415.9756993,31.08374443,0,129.152872,139.886732,219.449336,280.690132,242.141784,153.418276,54.546048,6.718464,0,31.44590324,39.58625448,56.86130896,61.19426363,43.89905225,20.15294786,4.894766049,0.444612905,0,2747.284777,2619.718299,4225.081749,5820.283496,5238.968098,3628.523797,1415.751008,184.917652,0,45.55555556,56.11111111,81.33333333,92.66666667,72.66666667,37,10,1,0,80.59831789,88.61905447,73.78037007,54.45312095,33.47167782,13.57698877,3.78882,1.016064,0,249.1021652,293.50415,258.8340829,204.7937056,154.4649834,94.55045446,51.99696242,31.08374443,0,7.175159556,7.362459579,7.314977867,7.197182872,7.121817176,6.973558,6.818256,6.718464,0,1.746994624,2.083487078,1.895376965,1.569083683,1.291148596,0.916043085,0.611845756,0.444612905,0,152.6269321,137.8799105,140.8360583,149.2380383,154.087297,164.9328999,176.9688759,184.917652,0,2.530864198,2.953216374,2.711111111,2.376068376,2.137254902,1.681818182,1.25,1,0,0.058104253,-0.003696255,-0.020798102,0.004940967,-0.023600905,-0.005199337,0.015485194,0.00381631,0,538.0711511,23.91427338,-143.4856403,-62.77496763,-289.9605648,1.494642086,164.4106295,37.36605216,0,1000.566282,44.46961253,-266.8176752,-116.7327329,-539.1940519,2.779350783,305.7285862,69.48376958,0,0.105404444,0.004684642,-0.028107852,-0.012297185,-0.056801284,2.93E-04,0.032206914,0.007319753,0,4.472996822,0.198799859,-1.192799152,-0.521849629,-2.410448287,0.012424991,1.366749029,0.310624779,0,24.29738973,1.079883988,-6.479303927,-2.834695468,-13.09359335,0.067492749,7.424202416,1.687318731,0,4.049382716,-0.299039781,-1.341563786,0.374485597,-1.796982167,-0.34430727,1.113854595,0.268861454,0,0.003228014,-1.95E-04,-6.93E-04,1.27E-04,-6.94E-04,-2.36E-04,0.001935649,0.00381631,0,29.89284173,1.258645968,-4.782854677,-1.609614555,-8.528251905,0.067938277,20.55132869,37.36605216,0,55.58701566,2.340505923,-8.893922506,-2.993146997,-15.85864859,0.126334127,38.21607327,69.48376958,0,0.005855802,2.47E-04,-9.37E-04,-3.15E-04,-0.001670626,1.33E-05,0.004025864,0.007319753,0,0.248499823,0.01046315,-0.039759972,-0.01338076,-0.070895538,5.65E-04,0.170843629,0.310624779,0,1.349854985,0.056835999,-0.215976798,-0.072684499,-0.385105687,0.003067852,0.928025302,1.687318731,0,0.224965706,-0.015738936,-0.044718793,0.009602195,-0.052852417,-0.01565033,0.139231824,0.268861454,0,-0.06026608,-0.214766741,0.039247495,-0.215037554,-0.073213278,0.59964091,1.182247131,0,0.042105263,-0.16,-0.053846154,-0.285294118,0.002272727,0.6875,1.25,0,0.042105263,-0.16,-0.053846154,-0.285294118,0.002272727,0.6875,1.25,0,0.042105263,-0.16,-0.053846154,-0.285294118,0.002272727,0.6875,1.25,0,0.042105263,-0.16,-0.053846154,-0.285294118,0.002272727,0.6875,1.25,0,0.042105263,-0.16,-0.053846154,-0.285294118,0.002272727,0.6875,1.25,0,-0.069961489,-0.198780488,0.042682927,-0.234935438,-0.069567627,0.618902439,1.195121951,0,0.924413598,1.041820142,0.855766886,1.19887616,1.164647384,0.552824595,1.84E-07,0,0.805263158,1.02,0.980769231,1.2375,1.043181818,0.478125,0,0,0.805263158,1.02,0.980769231,1.2375,1.043181818,0.478125,0,0,0.805263158,1.02,0.980769231,1.2375,1.043181818,0.478125,0,0,0.805263158,1.02,0.980769231,1.2375,1.043181818,0.478125,0,0,0.805263158,1.02,0.980769231,1.2375,1.043181818,0.478125,0,0,0.932926829,1.026219512,0.861163227,1.221036585,1.144955654,0.524771341,0,0,30.3743855,15.18719275,21.90127064,30.3743855,3.03743855,15.18719417,-7.11E-15,0.036954164,0.003695416,-3.298076935,52.98135876,5.298135876,3.96994013,30.3743855,15.18719275,21.90127064,30.3743855,3.03743855,15.18719417,-7.11E-15,0.036954164,0.003695416,-3.298076935,52.98135876,5.298135876,3.96994013,30.3743855,15.18719275,21.90127064,30.3743855,3.03743855,15.18719417,-7.11E-15,0.036954164,0.003695416,-3.298076935,52.98135876,5.298135876,3.96994013,30.3743855,15.18719275,21.90127064,30.3743855,3.03743855,15.18719417,-7.11E-15,0.036954164,0.003695416,-3.298076935,52.98135876,5.298135876,3.96994013,30.3743855,15.18719275,21.90127064,30.3743855,3.03743855,15.18719417,-7.11E-15,0.036954164,0.003695416,-3.298076935,52.98135876,5.298135876,3.96994013,30.3743855,15.18719275,21.90127064,30.3743855,3.03743855,15.18719417,-7.11E-15,0.036954164,0.003695416,-3.298076935,52.98135876,5.298135876,3.96994013,33.4172307,16.32240953,23.70280895,33.40656403,3.340656403,16.32241005,-0.053333333,0.011120311,0.001112031,-4.498982003,50.28836533,5.028836533,3.917773745,0,11.85,12.1501118,-0.207649789,0.092557879,6.850571188,8.866760996,11,19,14,9,1,5,0,0,0,10,8.745656,3.904747689,3.315879637,2.984401743,2.349973684,2.054934502,1.178857079,1.057278389,0.677747664,1.798564612,1.716542142,1.536944578,0.833959253,0.670853995,0.357597677,0.279575343,0.21978367,3.91333285,3.332524165,3.00222344,2.37462453,2.091545412,1.254998195,1.154511224,0.817750771,1.761847505,1.691370925,1.489689851,0.744145799,0.560829118,0.206033257,0.117441644,0.04951352,3.952486371,3.408921308,3.086737408,2.496767224,2.270825991,1.609425271,1.57643541,1.362397235,1.661173729,1.626992952,1.360432516,0.493570593,0.242712744,0.292373182,0.434612761,0.546821377,3.91972486,3.344951433,3.015673622,2.393513144,2.119568059,1.312759361,1.226529138,0.917080688,1.739154532,1.676282571,1.460475547,0.687820085,0.490664832,0.104838473,0.008002797,0.066370108,3.972570324,3.448177181,3.131714427,2.56438038,2.366930576,1.782074684,1.768311346,1.589023266,1.63177536,1.609361663,1.323025507,0.422117784,0.150164679,0.461834627,0.632443878,0.77119031,3.908471286,3.382718629,3.036129067,2.401728701,2.15783452,1.36369723,1.305903177,1.016415142,1.707676569,1.701365329,1.413208726,0.632783829,0.423027012,0.010548072,0.094018509,0.175550779,0,0,0,8,2,0,0,0,0,0,0,0.11785113,0.166666667,0.176776695,0,0,0.048112522,0.055555556,0.048112522,0.333333333,0,0.083333333,0,0.166666667,0,0.027777778,0,0.942809042,1.5,1.414213562,0.384900179,0.5,0.384900179,6.811554788,4.966326495,4.089073412,3.466326495,2.863541926,1.899829914,1.375821743,0.704124145,0.681155479,0.451484227,0.292076672,0.192573694,0.130160997,0.090468091,0.062537352,0.044007759,5.618802154,3.404700538,2.347150628,1.658689248,1.134057266,0.617711231,0.367711231,0.153877798,0.561880215,0.309518231,0.167653616,0.092149403,0.051548058,0.029414821,0.016714147,0.009617362,12.16731122,17.55134741,16.90196078,17.04,13.19421796,132.569188,0.675961734,0.975074856,0.938997821,0.946666667,0.733012109,7.36495489,2.7914,43.064,68.86665128,80.39907969,137.7333026,13.77333026,68.86665128,2.78E-16,2.78E-17,-35.82050984,4000020.395,400002.0395,15.20181002,82,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.33333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.6,0,0,0,0,3.6,0,0,0,0,0,0,0,0,0,0,0,0,0,16.71296296,0,0,0,0,0,2.62037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.310185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,2.041666667,0,0,0,0,0,1.310185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,0,1.310185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.33333333,1.933333333,0.45,2.12037037,0.25,1.310185185,5.87237963,0.356481481,0.12037037,1.425925926,0.356481481,0.12037037,1.425925926,5,0.5,0,0,0.52222,0.7,0.44286,0.44286,0.7,0.07937,0.07937,0,0,0.71429,0,0,0,0.2,0,15.5,1.55,5.5,0.55,10,1,4.5,0.45,0,0,3.86643,0.38664,10.99363,7.1272,0.71272,1.76011,0.17601,4.96631,3.20621,0.32062,-0.05231,-0.00523,0.11969,0.01197,0.555555556,31,0,0,0,0,0,0,0,0.99107606,1.392147224,1.836591668,2.836591668,3.614369446,3.836591668,17.83936908,25.05865003,33.05865003,51.05865003,65.05865003,69.05865003,0.237672394,0.33385426,0.440437578,0.680250045,0.866770852,0.920062511,3.178848942,2.777777778,2.333333333,1.333333333,0.555555556,0.333333333,0.216157942,0.303633285,0.400568525,0.618672817,0.788309489,0.836777109,6.177348133,10.9902021,16.32353543,23.43812434,26.6646938,26.88865492,32.42629689,33.34470004,31.53216669,23.54386112,19.36959167,18.88738612,6.694214876,2.93877551,1.382716049,0,10,0,2.56,1.0854,0,0,0,0,11.89364936,8.596559455,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.197,0.196,0.919,1.392,5.37,14,18,22,21,22,16,14,12,0,160,2.833213344,3.384390263,3.965563772,4.523146351,4.887525597,5.328027856,5.48148492,5.785770405,6.079226781,0,7.335998058,9.584741211,0.4,2,0,0,1,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,3,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,5,0.666666667,1,0.888888889,0.444444444,0.09,0,0,0,0,0,0,0.090909091,0.063492063,0.034188034,0.015,0,0,0,0,0,0,0.203589189,21.70735981,31.46731853,43.41471962,4.341471962,21.70735981,0.059300728,0.005930073,-2.8251337,54.66236715,5.466236715,4.001175486,0,121.8210941,4.321928095,3.931825633,4.744932128,5.572154032,6.401917197,7.236339343,8.07059354,8.906935339,9.742790492,10.57976829,86.18725599,3.135494216,0,4.369447852,2.397895273,5.777652323,4.727387819,7.271703707,6.762729507,8.81774213,9.170455438,128.0626003,7.114588903,20.61781011,2.061781011,0,0,0,107,13,3.224,50,1.297129417,2.312370079,3.162031022,4.115111863,5.071724671,5.976048805,6.702500635,0,0,0,125.8640169,177.4286199,176.4026067,143.9490463,68.25630615,22.06433257,6.810169605,0,0,0,406.2121922,614.4574497,662.230736,652.9590737,482.4931373,306.3780832,208.3388168,0,0,0,9.584985004,16.93676251,22.80149357,29.34464552,35.39354369,40.72543403,45.03050922,0,0,0,2.840904604,4.469284116,5.05897069,5.417653463,4.678239176,3.621568875,2.980018277,0,0,0,176.6738846,324.3061946,468.5917407,631.4093593,834.3766965,1059.23116,1239.41068,0,0,0,3.959106685,6.357775283,7.648078626,8.937570511,8.583538127,7.417961158,6.702500635,0,0,0,0.580131087,0.919625901,1.05136776,1.142433375,1.012958506,0.810354537,0.686336065,0,0,0,220.0480141,109.2652806,13.65497241,172.0241235,-85.41892187,-9.223359772,48.02389065,194.6842025,22.87833219,0.561243692,0.278686676,0.034827704,0.438756308,-0.21786532,-0.02352465,86.27469528,42.83987214,5.353734223,67.44586582,-33.49037929,-3.616222382,0.12558991,0.124302375,3.670142298,1.352563155,392.0721376,0,1,0,770.4463533,27.75691541,9.16742716,849.6411403,29.14860443,9.4713491,1350.829844,36.75363715,11.0543586,1.382564025,1.382564025,507.830127,380.8247343,179.6944512,1.333500903,2.826075728,2.119290449,4.001644033,3.881832121,6.702500635,0.726633308,2.884538857,7.26653697,2.461088506,9.915276132,8.429885373,6.527435565,6.210508854,5.292267247,4.375430296,3.093737841,1.683771741,1.044595829,1.43E-04,2.39E-28,7.70E-74,4.78E-141,5.72E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0.242141466,7.266536077,0.206989948,7.590457925,5.841433851,1.23681089,0.737062056,1.37023529,0.240646932,0.186830994,0.031936328,0.007357174,1.01E-06,1.68E-30,5.42E-76,3.37E-143,4.03E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0.781511107,7.266536259,0.667097205,7.970561159,6.171577452,2.309781504,1.808903225,2.169908726,0.764271808,0.651086502,0.175162006,0.076667424,1.05E-05,1.76E-29,5.65E-75,3.51E-142,4.20E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,2.722773183,7.266536915,2.323093389,9.739542073,8.201300488,6.201085565,5.85936522,5.051845967,4.008964623,2.870105607,1.514034778,0.930716077,1.28E-04,2.13E-28,6.86E-74,4.26E-141,5.10E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,1.151771457,7.266536384,0.9829471,8.259531816,6.457064683,3.048408367,2.55817057,2.719125779,1.218849115,1.008117643,0.33106946,0.166531889,2.28E-05,3.81E-29,1.23E-74,7.62E-142,9.12E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,3.48348434,7.266537173,2.972023243,10.6038752,9.355850284,7.738557855,7.528874172,6.182799295,5.860973613,3.973606153,2.390135979,1.523444843,2.09E-04,3.49E-28,1.12E-73,6.97E-141,8.34E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,1.543481679,6.932249922,1.284496237,8.415099889,6.729490584,3.620309867,3.202621036,3.371234395,1.74410023,1.402031027,0.520342341,0.279469752,3.83E-05,6.40E-29,2.06E-74,1.28E-141,1.53E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,3.900178685,2.036756198,0.458145035,0.609871766,0.318487998,0.573314179,0.532020389,0.33501206,6.395079918,10.66369035,20.69814299,0.414807649,1.440346628,2.768875109,1.198300117,0.211323433,0.662648318,0.286777672,0.29380538,0.186635299,0.081797445,4.17849866,4.156300456,9.035958299,0.493972477,0.562238124,3.108752287,1.452123664,0.286967537,0.641264986,0.299540129,0.367853602,0.273149984,0.144376802,4.847843488,5.823116098,11.96641506,0.461897479,0.785380389,3.857810475,2.005657058,0.449107018,0.611131076,0.317724098,0.561137045,0.516204766,0.323361976,6.31257455,10.37076922,20.15828453,0.416696613,1.400703787,3.298180704,1.592822976,0.328467216,0.631899434,0.305169433,0.412810242,0.327944367,0.184612485,5.219470896,6.859952368,13.80499885,0.447849151,0.925367095,4.040328172,2.139487974,0.487963362,0.605948077,0.320869635,0.6145486,0.585869506,0.374659127,6.667779507,11.65975739,22.54560616,0.408922116,1.575077233,3.860388018,2.004580332,0.448073958,0.611494083,0.317530001,0.561890322,0.515677798,0.321847389,6.313042308,10.36639748,20.14684124,0.417241125,1.399415508 +UMLYSI0051,L,1-ethynyl-2-methylbenzene,CC1=CC=CC=C1C#C,aromatic,C9H8,766-47-2,136598,PubChem,,485,0,2.4191,5.85204481,41.7819,21.174344,6,6,17,9,8,0,9,0,0,0,0,0,0,0,0,0,1306.505601,1395.233793,1735.238579,1651.509898,968.542685,309.784777,32.342688,1.016064,0,4060.322071,4729.545047,6128.776549,6278.942729,4567.735558,2163.76287,478.1431882,31.08374443,0,121.612356,124.8057,188.512652,216.560296,213.64754,153.817444,67.982976,6.718464,0,28.65700324,34.00845448,45.37427043,48.15309198,38.43845072,20.82187927,5.783991859,0.444612905,0,2620.490421,2366.129587,3786.961446,4425.779828,4621.010995,3596.728693,1785.586312,184.917652,0,55.80555556,56.94444444,70.33333333,83.16666667,81.5,52.5,14,1,0,76.85327065,82.07257606,66.73994535,55.05032993,32.28475617,14.08112623,3.2342688,1.016064,0,238.8424748,278.2085322,235.722175,209.298091,152.2578519,98.35285773,47.81431882,31.08374443,0,7.153668,7.341511765,7.250486615,7.218676533,7.121584667,6.991702,6.7982976,6.718464,0,1.685706073,2.000497322,1.745164247,1.605103066,1.281281691,0.946449058,0.578399186,0.444612905,0,154.1464954,139.1840933,145.6523633,147.5259943,154.0336998,163.4876678,178.5586312,184.917652,0,3.282679739,3.349673203,2.705128205,2.772222222,2.716666667,2.386363636,1.4,1,0,0.06762655,-0.01412123,-0.020807014,0.018055511,-0.015100473,-0.025729964,0.016216887,0.007673008,0,512.7501558,2.38E-13,34.76982265,-142.8495123,-299.5231711,-93.83662981,211.1324171,33.9319956,0,953.4808099,-3.55E-14,64.65596995,-265.6347681,-556.9761267,-174.4932201,392.6097452,63.09799477,0,0.100444235,8.08E-16,0.00681117,-0.027983239,-0.058674533,-0.018381952,0.041359391,0.006647045,0,4.262502853,5.33E-15,0.289042269,-1.187511007,-2.489942435,-0.780065882,1.755148234,0.282077395,0,23.15398315,1.64E-14,1.570082191,-6.450578639,-13.52540682,-4.23733025,9.533993062,1.532248885,0,10.23529412,-0.632352941,0.04373318,0.950788158,-1.807381776,-5.590445982,1.511918493,0.40609381,0,0.003978032,-8.31E-04,-8.00E-04,6.02E-04,-5.03E-04,-0.001169544,0.001621689,0.007673008,0,30.16177387,1.40E-14,1.337300871,-4.761650412,-9.984105702,-4.265301355,21.11324171,33.9319956,0,56.08710646,-2.09E-15,2.486768075,-8.85449227,-18.56587089,-7.931510005,39.26097452,63.09799477,0,0.005908484,4.76E-17,2.62E-04,-9.33E-04,-0.001955818,-8.36E-04,0.004135939,0.006647045,0,0.250735462,3.13E-16,0.01111701,-0.0395837,-0.082998081,-0.03545754,0.175514823,0.282077395,0,1.361999009,9.67E-16,0.060387777,-0.215019288,-0.450846894,-0.19260592,0.953399306,1.532248885,0,0.602076125,-0.037197232,0.001682045,0.031692939,-0.060246059,-0.254111181,0.151191849,0.40609381,0,-0.20881193,-0.201172265,0.151293482,-0.126532176,-0.294000577,0.407661018,1.928845026,0,4.64E-16,0.044337607,-0.15787037,-0.331018519,-0.141414141,0.7,1.125,0,-3.73E-17,0.044337607,-0.15787037,-0.331018519,-0.141414141,0.7,1.125,0,8.05E-15,0.044337607,-0.15787037,-0.331018519,-0.141414141,0.7,1.125,0,1.25E-15,0.044337607,-0.15787037,-0.331018519,-0.141414141,0.7,1.125,0,7.10E-16,0.044337607,-0.15787037,-0.331018519,-0.141414141,0.7,1.125,0,-0.061781609,0.002793742,0.052639421,-0.100063857,-0.422058226,0.251117497,0.674489144,0,1.031378267,0.865153283,0.627527901,1.037980156,1.511287745,1.230907016,0.449941845,0,0.888888889,0.871794872,1.07037037,1.259259259,1.116161616,0.377777778,0,0,0.888888889,0.871794872,1.07037037,1.259259259,1.116161616,0.377777778,0,0,0.888888889,0.871794872,1.07037037,1.259259259,1.116161616,0.377777778,0,0,0.888888889,0.871794872,1.07037037,1.259259259,1.116161616,0.377777778,0,0,0.888888889,0.871794872,1.07037037,1.259259259,1.116161616,0.377777778,0,0,0.88633461,0.523577955,0.631077054,1.16807152,2.069487983,0.781609195,0,0,28.389302,14.194651,20.13693152,28.389302,3.154366889,14.19465422,5.33E-15,0.099608183,0.011067576,-2.075859868,61.01374401,6.77930489,3.699989235,28.389302,14.194651,20.13693152,28.389302,3.154366889,14.19465422,5.33E-15,0.099608183,0.011067576,-2.075859868,61.01374401,6.77930489,3.699989235,28.389302,14.194651,20.13693152,28.389302,3.154366889,14.19465422,5.33E-15,0.099608183,0.011067576,-2.075859868,61.01374401,6.77930489,3.699989235,28.389302,14.194651,20.13693152,28.389302,3.154366889,14.19465422,5.33E-15,0.099608183,0.011067576,-2.075859868,61.01374401,6.77930489,3.699989235,28.389302,14.194651,20.13693152,28.389302,3.154366889,14.19465422,5.33E-15,0.099608183,0.011067576,-2.075859868,61.01374401,6.77930489,3.699989235,28.389302,14.194651,20.13693152,28.389302,3.154366889,14.19465422,5.33E-15,0.099608183,0.011067576,-2.075859868,61.01374401,6.77930489,3.699989235,39.15401955,19.0036435,27.09738078,38.95864918,4.328738798,19.00364353,-0.586111111,0.01828828,0.002032031,-3.60134538,48.52878472,5.392087191,3.493941409,0,11.69,12.31004605,-0.402852563,0.218795621,4.820061983,8.500384663,9,17,13,10,2,3,0,1,0,7,8.745656,3.824252322,3.11242961,2.865449544,2.444520181,1.987627493,0.856514747,0.758207364,0.368925281,1.97862261,1.412060312,1.33430764,0.969070219,0.670831246,0.241702174,0.107793917,0.083923071,3.833018583,3.124674587,2.897000885,2.473709397,2.039848865,0.96042338,0.882588786,0.49043628,1.951962898,1.328309194,1.293796959,0.885324191,0.575349874,0.074784998,0.033310762,0.270913902,3.873841055,3.182758654,3.047934162,2.616524028,2.253465764,1.413068483,1.375325926,0.959796712,1.882501071,1.195299391,1.080046347,0.64738414,0.293551166,0.498553263,0.54102463,0.943918427,3.839588912,3.133907205,2.920951926,2.496052474,2.077411538,1.037089942,0.972377741,0.576724458,1.935857835,1.280589892,1.263770031,0.832464129,0.514810113,0.03832642,0.130724856,0.399277246,3.895307991,3.21400773,3.127094625,2.692833233,2.350286185,1.625305593,1.572248245,1.207644823,1.863111339,1.1673284,1.008005235,0.578343292,0.201559751,0.700533187,0.738033974,1.148566193,3.808006672,3.420235447,2.840486777,2.4817023,2.039101475,1.059697845,0.980692758,0.617439137,2.038701142,1.322862538,1.117864504,0.794328783,0.466040011,0.073544282,0.141579361,0.453781513,1,1,0,4,2,1,0,0,0,0,0,0,0.083333333,0.142258898,0,0,0,0.027777778,0.041666667,0.402368927,0,0.11785113,0,0.216506351,0,0.041666667,0,1.069035594,1.408291245,1.304737854,0.436004234,0.43128554,0.338782012,6.690234444,4.342535255,3.43006888,2.813496153,1.999552237,1.209772801,0.469913203,0.176776695,0.743359383,0.482503917,0.311824444,0.216422781,0.153811711,0.1008144,0.078318867,0.058925565,5.386751346,2.866025404,1.959258917,1.300569669,0.734846741,0.374002823,0.11325973,0.029926396,0.598527927,0.318447267,0.178114447,0.100043821,0.056526672,0.031166902,0.018876622,0.009975465,11.16731122,16.55134741,15.90196078,16.04,12.19421796,125.8264934,0.65690066,0.973608671,0.935409458,0.943529412,0.717306939,7.401558436,1.77551,37.372,37.21619288,52.5703477,74.43238575,8.270265084,37.21619288,0.046958593,0.005217621,-2.752640152,68.11258832,7.568065368,3.799045842,67,1,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,0,0,0,0,4,0,0,0,0,0,0,0,0,1,0,0,1,0,4,0,0,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.594027778,0,0,17.82421296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.594027778,0,0,1.842569444,0,0,0,0,1.842569444,0,0,0,0,0,0,0,0,2.00912037,0,0,5.200648148,0,7.87787037,0,0,2.595231481,0,2.150462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.594027778,0,0,0.983796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.594027778,0,0,0.447847222,0,0,0,0,0.447847222,0,0,0,0,0,0,0,0,2.00912037,0,0,5.200648148,0,1.939814815,0,0,2.595231481,0,0.983796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.594027778,0,0,5.200648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.594027778,0,0,0.477777778,0,0,0,0,0.477777778,0,0,0,0,0,0,0,0,2.00912037,0,0,5.200648148,0,2.00912037,0,0,2.595231481,0,1.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.83333333,2.203703704,0.594027778,5.200648148,0.230902778,0.983796296,4.617599491,0.68287037,1.200648148,2.628240741,0.68287037,1.200648148,2.628240741,4.5,0.5,0,0,0.51176,0.7,0.43333,0.43333,0.7,0.07843,0.07843,0,0,0.71429,0,0,0.22222,0.22222,0,13.5,1.5,4.5,0.5,9,1,4.5,0.5,0,0,3.75991,0.41777,9.99821,6.23831,0.69315,1.59672,0.17741,4.34252,2.74581,0.30509,0.07148,0.00794,0.15748,0.0175,0.352941176,9,0,0,0,0,0,0,0.142857143,0.997502546,2.866587106,3.219528282,3.690116518,3.807763576,3.690116518,16.95754329,48.7319808,54.7319808,62.7319808,64.7319808,62.7319808,0.244039539,0.701312089,0.78765934,0.902789007,0.931571423,0.902789007,3.089960295,1.220875735,0.867934559,0.397346324,0.279699265,0.397346324,0.223683786,0.642814455,0.721959334,0.82748584,0.853867466,0.82748584,6.344815581,21.50275711,25.73805123,27.50551889,27.62408654,26.21232183,30.32476541,22.5311582,17.9871717,15.75633743,15.51075357,16.98425675,7.111111111,3.239669421,1.704142012,1,8,0,2.45,1.0531,0.25,3.377018974,2.149139864,0,5.085675265,5.676240019,0,1,0,0,0,0,0,0,0,0,0,0,0,0.085,0.15,0.144,0.638,0.816,3.907,11,13,13,12,6,3,1,0,0,77,2.708050201,3.157000421,3.70745584,4.141148628,4.466626252,4.123093976,3.991873387,3.168897455,0,0,5.915865079,4.803571429,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,0,3,5,0.666666667,1.5,1.111111111,0.5,0.262222222,0.0625,0,0,0,0,0,0.166666667,0.101010101,0.05,0.052444444,0.0625,0,0,0,0,0,0.432621212,19.67321585,27.79929374,39.34643171,4.371825745,19.67321587,0.085014734,0.009446082,-2.218437623,74.26283141,8.251425712,3.876849519,0,127.7815681,4.169925001,3.713572067,4.48863637,5.283203729,6.075346031,6.874198495,7.669961995,8.469472455,9.266058861,10.06564892,79.90609892,2.944438979,0,4.143134726,0,5.579729826,0,7.115582126,0,8.689296048,8.925587339,116.0626003,6.82721178,17.54892744,1.949880827,0,0,0,86,10,2.89,40,1.231959044,2.201823827,3.091120752,3.940155337,4.828825918,5.582581239,7.434814507,0,0,0,109.060249,156.6715285,175.7222634,133.6509293,70.2200856,19.73489971,7.554247367,0,0,0,361.3168736,544.2184991,663.639437,618.6705498,478.7132831,279.593498,231.101874,0,0,0,9.069881328,16.01105423,22.35484716,28.10404215,33.75992664,38.01248809,49.95053361,0,0,0,2.56531547,3.988526358,5.065795429,5.163948134,4.585505826,3.330245727,3.305614475,0,0,0,169.8852723,317.4908089,453.0208784,603.7397027,789.7346314,992.0038546,1374.828442,0,0,0,4.197408392,6.163636745,8.788237214,10.92097097,11.39647373,8.119532603,7.434814507,0,0,0,0.525409756,0.822382636,1.052259374,1.089858174,0.990810315,0.74612346,0.761325005,0,0,0,207.6905594,100.619828,12.20445676,145.450013,-70.46615569,-11.61663781,62.24054643,171.0859837,23.82109458,0.588124321,0.284928541,0.034559769,0.411875679,-0.199541376,-0.032895223,73.34396304,35.53294367,4.309888848,51.36430085,-24.88445856,-4.102306127,0.255332953,0.235895547,7.608513206,14.72591473,353.1405724,0,1,0,722.1973054,26.87372891,8.97191784,800.9559671,28.30116547,9.286873867,1202.999891,34.68428882,10.63543349,1.336007917,1.336007917,472.9064393,321.4982366,154.7799154,1.470945671,3.055347577,2.077131492,3.938992509,3.821429894,7.434814507,0.945558263,2.735141911,1.903380492,2.601319613,6.87237354,1.144623759,5.838824984,3.227504244,6.22788995,0.453122181,1.795591073,0.045036012,1.349891582,6.90E-07,0.653825454,1.34E-14,5.30E-50,4.04E-107,5.94E-186,1.68E-286,0,0,0,0,0,0,0,0,0,0,0,0.239935916,1.903319213,0.207749684,3.322391678,0.096534344,2.342532835,1.12516408,0.496046378,0.021040296,0.123701891,0.003596484,0.021405933,4.86E-09,0.004604946,9.44E-17,3.73E-52,2.84E-109,4.18E-188,1.19E-288,0,0,0,0,0,0,0,0,0,0,0,0.749260655,1.903323494,0.67447131,3.756911738,0.310471738,2.784252468,1.548979767,1.578868818,0.071076827,0.414747982,0.011730524,0.129644045,5.06E-08,0.047987089,9.84E-16,3.89E-51,2.96E-108,4.36E-187,1.24E-287,0,0,0,0,0,0,0,0,0,0,0,2.582387188,1.90337383,2.447054686,6.552415976,1.080460476,5.528578243,3.096919592,5.846153078,0.413170484,1.675472288,0.042384263,1.210921944,6.15E-07,0.582546708,1.19E-14,4.72E-50,3.60E-107,5.29E-186,1.50E-286,0,0,0,0,0,0,0,0,0,0,0,1.098896122,1.903328875,1.001350879,4.141334888,0.457333052,3.168226179,1.841494606,2.348074766,0.116756007,0.629453991,0.017410683,0.252324633,1.10E-07,0.10423437,2.14E-15,8.45E-51,6.44E-108,9.47E-187,2.69E-287,0,0,0,0,0,0,0,0,0,0,0,3.300723895,1.903408464,3.18127264,8.173561291,1.382191516,7.096763982,3.713136049,7.67630345,0.616373517,2.260509881,0.05498465,1.929880283,1.01E-06,0.953542977,1.95E-14,7.73E-50,5.89E-107,8.66E-186,2.46E-286,0,0,0,0,0,0,0,0,0,0,0,1.328100682,1.374071133,0.975287147,4.216244019,0.936432299,3.967040453,1.888189534,2.910338409,0.152373396,1.248301544,0.018059861,0.347228189,1.42E-07,0.134634208,2.76E-15,1.09E-50,8.32E-108,1.22E-186,3.47E-287,0,0,0,0,0,0,0,0,0,0,0,3.857063535,2.350245867,0.098383433,0.611679578,0.372718102,0.479541356,0.573361992,0.117671301,6.305692835,9.675744042,16.87328738,0.476596521,1.170574649,2.755523108,1.359546341,0.014515398,0.667263953,0.32922107,0.226582926,0.171917181,0.002561449,4.129584846,3.805993228,7.989956547,0.500895929,0.401061556,3.090458843,1.674740527,0.04057605,0.64307184,0.348484975,0.290871003,0.272484804,0.02001552,4.805775419,5.369069637,10.38485519,0.487335223,0.583371328,3.816537486,2.315928253,0.095383304,0.612817918,0.371866472,0.468029998,0.555527493,0.110604136,6.227849043,9.423761839,16.49468741,0.477026586,1.134161627,3.275704726,1.843455768,0.054764683,0.633117916,0.356297338,0.330984949,0.337045519,0.036460976,5.173925177,6.318965975,11.82359409,0.484122881,0.704491443,3.990671729,2.462420033,0.108235685,0.608211031,0.375292965,0.518752452,0.633279237,0.142418843,6.561327447,10.52516482,18.15009295,0.475255994,1.294450532,3.848994621,2.313056145,0.094709222,0.615173769,0.369689128,0.470675979,0.549160447,0.10904637,6.256759988,9.486543694,16.58649426,0.477294345,1.128882796 +UMLYSI0052,L,pentamethylbenzene,CC1=CC(=C(C(=C1C)C)C)C,aromatic,C11H16,700-12-9,12784,PubChem,,481.8,0,3.6354,13.21613316,52.3658,30.028688,6,6,27,11,16,0,11,0,0,0,0,0,0,0,0,0,1603.162355,1780.618739,2529.287392,2864.131049,1994.577489,815.48645,184.911552,18.289152,0,5156.02583,6494.471781,9193.049073,11100.83229,10538.14172,6742.015724,2589.105429,559.5073998,0,190.4411,196.827788,342.42496,370.18826,513.880452,581.9618,347.43168,120.932352,0,37.79170648,48.49460896,70.22184684,85.27180654,91.2398031,68.7933144,30.70243501,8.003032287,0,4353.420349,3844.69868,7405.557789,7361.670676,10978.64034,14145.03201,9049.259002,3328.517736,0,53.88888889,66.44444444,95.77777778,118.8888889,145,126,63,18,0,59.37638352,65.94884219,52.69348733,56.15943233,27.70246512,9.708172024,3.625716706,1.016064,0,190.9639196,240.5359919,191.5218557,217.6633782,146.3630794,80.26209196,50.76677312,31.08374443,0,7.053374074,7.289918074,7.133853333,7.258593333,7.1372285,6.928116667,6.812385882,6.718464,0,1.399692833,1.796096628,1.462955143,1.671996207,1.267219487,0.818968029,0.60200853,0.444612905,0,161.2377907,142.3962474,154.2824539,144.3464838,152.4811158,168.3932382,177.436451,184.917652,0,1.995884774,2.46090535,1.99537037,2.331154684,2.013888889,1.5,1.235294118,1,0,0.03654352,0.00239731,0.018545313,-0.018157936,-0.047520967,-0.007254383,0.019841941,0.013876962,0,789.1710216,-9.45E-13,484.76225,-271.0284317,-1162.831543,-240.1391619,432.947991,361.7033849,0,1467.497214,5.40E-13,901.436104,-503.988942,-2162.334909,-446.5490258,805.0852769,672.6028895,0,0.154593185,1.50E-15,0.094961597,-0.053092609,-0.227790716,-0.047041613,0.084811539,0.07085521,0,6.560395338,1.73E-14,4.029838803,-2.253065066,-9.666643131,-1.996281915,3.599105776,3.006847863,0,35.6361716,-1.87E-13,21.89014834,-12.2386852,-52.50935891,-10.84383504,19.5503997,16.33324532,0,4.995884774,-1.736625514,3.27480567,-0.029263832,-6.314128944,-1.789666209,1.94604481,2.150891632,0,0.001353464,8.88E-05,3.86E-04,-3.56E-04,-6.60E-04,-8.64E-05,3.89E-04,7.71E-04,0,29.22855636,-3.50E-14,10.09921354,-5.314282974,-16.1504381,-2.858799546,8.489176295,20.0946325,0,54.35174865,2.00E-14,18.77991883,-9.882136118,-30.0324293,-5.316059831,15.78598582,37.3668272,0,0.005725674,5.54E-17,0.001978367,-0.001041032,-0.00316376,-5.60E-04,0.001662971,0.003936401,0,0.242977605,6.39E-16,0.083954975,-0.044177746,-0.134258932,-0.023765261,0.070570701,0.167047104,0,1.319858207,-6.91E-15,0.456044757,-0.23997422,-0.729296652,-0.129093274,0.383341171,0.907402518,0,0.185032769,-0.064319463,0.068225118,-5.74E-04,-0.087696235,-0.02130555,0.038157741,0.11949398,0,0.065601494,0.285460698,-0.263056887,-0.487647673,-0.063807918,0.287453335,0.569606938,0,-1.20E-15,0.345525568,-0.181818182,-0.552556818,-0.097808442,0.290441176,0.6875,0,3.68E-16,0.345525568,-0.181818182,-0.552556818,-0.097808442,0.290441176,0.6875,0,9.68E-15,0.345525568,-0.181818182,-0.552556818,-0.097808442,0.290441176,0.6875,0,2.63E-15,0.345525568,-0.181818182,-0.552556818,-0.097808442,0.290441176,0.6875,0,-5.23E-15,0.345525568,-0.181818182,-0.552556818,-0.097808442,0.290441176,0.6875,0,-0.347611203,0.36871911,-0.003101076,-0.473949753,-0.11514474,0.206221533,0.645799012,0,1.07599046,0.779904419,1.485546094,1.572243145,0.893595121,0.401696031,2.38E-08,0,1.181818182,0.706321023,1.329545455,1.578835227,0.949675325,0.469251337,0,0,1.181818182,0.706321023,1.329545455,1.578835227,0.949675325,0.469251337,0,0,1.181818182,0.706321023,1.329545455,1.578835227,0.949675325,0.469251337,0,0,1.181818182,0.706321023,1.329545455,1.578835227,0.949675325,0.469251337,0,0,1.181818182,0.706321023,1.329545455,1.578835227,0.949675325,0.469251337,0,0,1.616968699,0.469831137,1.048793488,1.574135091,1.032595905,0.612268631,0,0,41.77729507,20.88864753,27.40331545,41.77729507,3.797935915,20.88864754,0,5.55E-17,5.05E-18,-41.17294253,5000018.715,454547.1559,16.96744743,41.77729507,20.88864753,27.40331545,41.77729507,3.797935915,20.88864754,0,5.55E-17,5.05E-18,-41.17294253,5000018.715,454547.1559,16.96744743,41.77729507,20.88864753,27.40331545,41.77729507,3.797935915,20.88864754,0,5.55E-17,5.05E-18,-41.17294253,5000018.715,454547.1559,16.96744743,41.77729507,20.88864753,27.40331545,41.77729507,3.797935915,20.88864754,0,5.55E-17,5.05E-18,-41.17294253,5000018.715,454547.1559,16.96744743,41.77729507,20.88864753,27.40331545,41.77729507,3.797935915,20.88864754,0,5.55E-17,5.05E-18,-41.17294253,5000018.715,454547.1559,16.96744743,41.77729507,20.88864753,27.40331545,41.77729507,3.797935915,20.88864754,0,5.55E-17,5.05E-18,-41.17294253,5000018.715,454547.1559,16.96744743,45.63682335,22.77295713,29.71610478,45.56244318,4.142040289,22.77295713,-0.090909091,2.78E-16,2.52E-17,-39.40256082,5000018.462,454547.1329,16.96744738,0,11.89,12.11017617,-0.151813741,0.068419665,6.47453125,9.387145688,11,27,24,21,5,3,0,0,0,6,17.491312,3.892082128,3.114235642,3.018636027,2.566614454,2.522295901,2.163890734,1.746889455,1.553095134,2.040826886,1.565186434,1.512457468,1.358662834,1.340150944,1.007603413,0.501962587,0.14224982,3.90000446,3.139304727,3.046711593,2.625173334,2.583684945,2.230206533,1.810243251,1.610684582,2.013837471,1.491549968,1.433409674,1.254330536,1.2336537,0.90325783,0.410963339,0.087454335,3.937758669,3.260496293,3.18140571,2.875597779,2.844291962,2.506999818,2.064672422,1.831989888,1.945949784,1.286650949,1.210247576,0.923822882,0.894156144,0.558975628,0.110876948,0.130226725,3.905985028,3.158384812,3.068031028,2.668013134,2.628481443,2.278353432,1.855636522,1.651463849,1.997767911,1.445452089,1.383625451,1.185826545,1.163571225,0.833618366,0.350523755,0.048028671,3.958178174,3.325297431,3.252715689,2.992074991,2.964571297,2.631783698,2.174983602,1.920562246,1.927697863,1.228184919,1.145662609,0.813469983,0.779908617,0.439397365,0.003916186,0.21900988,3.872326638,3.174808039,3.10583381,2.758988702,2.724120942,2.37595912,1.897312897,1.654812296,2.020197584,1.397083911,1.316773838,1.080285299,1.054904358,0.732814195,0.30689152,0.062059498,0,0,0,1,5,5,0,0,0,0,0,0,0.045360921,0.226804606,0,0,0,0.018042196,0.09021098,1.04875479,0,0.494387749,0,0.663675135,0,0.269337567,0,2.887046085,3.690160397,5.039108979,1.721687836,1.979112971,2.405047632,8.593858127,5.03658126,4.767620298,4.197396189,2.530980686,1.523392697,0.753461502,0.181443685,0.78125983,0.457871024,0.297976269,0.209869809,0.126549034,0.076169635,0.053818679,0.045360921,8.077350269,4.077350269,3.385362971,2.741025404,1.414022228,0.728765877,0.319925135,0.072168784,0.73430457,0.370668206,0.211585186,0.13705127,0.070701111,0.036438294,0.022851795,0.018042196,15.33462243,26.10269483,24.80392157,25.08,17.38843593,204.4541246,0.567948979,0.966766475,0.918663762,0.928888889,0.644016145,7.572374983,1.8267,44.642,47.66031849,60.74308102,95.32063698,8.665512453,47.66031849,8.88E-16,8.07E-17,-38.12309493,5000017.58,454547.0527,16.96744718,89,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,5,0,0,0,0,1,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.40037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.353194444,0,0,0,0,0.353194444,0,0,0,0,0,0,0,0,10.93296296,0,0,0,0,2.261574074,0,0,0,0,7.138796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.407962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.353194444,0,0,0,0,0.353194444,0,0,0,0,0,0,0,0,2.17537037,0,0,0,0,2.261574074,0,0,0,0,1.407962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.261574074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.353194444,0,0,0,0,0.353194444,0,0,0,0,0,0,0,0,2.199074074,0,0,0,0,2.261574074,0,0,0,0,1.446759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.33333333,1.848484848,0.359305556,2.261574074,0.100694444,1.407962963,6.827009907,0.258703704,0.261574074,2.389074074,0.258703704,0.261574074,2.389074074,5.5,0.5,0,0,0.46296,0.7,0.43333,0.43333,0.7,0.02963,0.02963,0,0,0.71429,0,0,0.45455,0.45455,0,11.5,1.04545,5.5,0.5,6,0.54545,0.5,0.04545,0,0,9.77017,0.8882,14.98471,5.21454,0.47405,2.76989,0.25181,5.03655,2.26666,0.20606,0.37745,0.03431,0.46345,0.04213,0.222222222,11,0,0,0,0,0,0,0.454545455,0.975119065,1.724419358,1.904225024,2.18606356,2.799554631,3.253801391,26.32821475,46.55932268,51.41407565,59.02371612,75.58797504,87.85263755,0.20507721,0.362662494,0.400477408,0.459750848,0.588774104,0.684306703,3.779768437,3.030468144,2.850662478,2.568823942,1.955332871,1.501086112,0.198724436,0.351428124,0.388071628,0.445508926,0.570535368,0.663108608,6.784181073,13.57871708,15.73638507,19.1184475,20.55097434,20.19454042,41.99082118,35.3322718,31.49335843,25.70891451,25.06600001,24.70543196,9.090909091,3.1640625,1.6,0,6,0,2.67,1.4209,2.68246152,1.850535862,11.28761037,0,0,3.041821709,0,6.083643419,0,0,0,0,0,0,0,0,0,0,0,0.003,0.117,0.076,0.457,0.696,5.324,16,20,20,20,14,4,0,0,0,116,2.708050201,3.384390263,3.907010464,4.305752857,4.706710916,4.576642102,3.446011397,0,0,0,6.02253919,3.548491379,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.454545455,0,3,5,0.666666667,3,2.222222222,1.1875,0.715555556,0,0,0,0,0,0,0.272727273,0.138888889,0.069852941,0.079506173,0,0,0,0,0,0,0.560975276,26.17037909,35.29348471,52.34075818,4.758250743,26.17037909,5.55E-16,5.05E-17,-38.64009892,5000017.986,454547.0897,16.96744727,0,167.6464548,4.459431619,4.007333185,4.844187086,5.707110265,6.561030666,7.424761762,8.28172399,9.145375093,10.00310662,10.86660462,88.84123328,3.135494216,0,4.465908119,0,6.008813185,0,7.647308832,0,9.331052447,9.539787994,148.1252005,5.486118537,21.06316894,1.91483354,0,0,0,140,17,4.042,54,1.235900139,2.130854973,3.084421717,3.789334859,4.368919565,5.810822225,6.570271339,0,0,0,91.18987827,125.8818705,183.7865997,117.7245183,50.69398799,21.92509411,6.675816178,0,0,0,319.9040806,445.3297955,696.0556068,587.8817822,391.3730523,301.4582541,204.2286352,0,0,0,9.040597226,15.27904716,22.42237656,27.1080161,30.42947469,39.61639604,44.14213146,0,0,0,2.342556346,3.339611351,5.291102225,4.995325839,3.878501455,3.549834506,2.921227426,0,0,0,174.0583659,323.2519935,443.1202371,573.4829281,723.0975063,1028.595738,1214.959149,0,0,0,3.130158035,4.473202467,7.325658913,7.815988367,6.972225123,7.255317056,6.570271339,0,0,0,0.482630495,0.692464422,1.097623526,1.056508134,0.842619599,0.793790685,0.672795785,0,0,0,323.7119323,154.9929629,9.651392535,112.1773398,-53.71040276,-4.803955593,211.5345926,208.7033657,14.45534813,0.742647165,0.355578751,0.022141845,0.257352835,-0.123220291,-0.011021046,141.1025585,67.55976979,4.206938466,48.89689897,-23.41178836,-2.093992706,0.130114606,0.115712904,2.498452588,1.390103647,435.8892721,0,1,0,797.6665966,28.24299199,9.274143295,952.8714862,30.86861653,9.84037035,1503.108939,38.76994891,11.45504552,1.225195128,1.165194424,773.9631182,466.4698107,324.3509029,1.6591923,2.386190732,1.438164058,4.555806214,4.492217363,6.684998586,0.488128923,4.544186833,5.869485804,8.121448988,12.4424874,1.320712885,7.737429197,13.22924584,9.181677633,14.16410042,3.752978729,11.19005846,6.501004694,2.13E-04,4.28E-29,2.03E-75,1.94E-143,3.68E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0.38147172,5.86918176,0.311867741,8.802069846,0.548146045,0.573044273,1.232466606,0.590155099,3.129115964,0.200828303,0.244607273,0.04579317,1.50E-06,3.02E-31,1.43E-77,1.37E-145,2.59E-235,0,0,0,0,0,0,0,0,0,0,0,0,0,1.231170621,5.869202683,1.249717795,9.539079618,0.670905003,1.476223197,3.677689131,2.022667991,4.811349214,0.637495211,1.246743683,0.477152539,1.56E-05,3.14E-30,1.49E-76,1.43E-144,2.70E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,4.289348397,5.869452637,7.411191811,12.21747379,1.261056847,7.100995484,12.49354658,8.542080852,13.28681373,3.433491295,10.08412252,5.792282316,1.90E-04,3.82E-29,1.81E-75,1.73E-143,3.28E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,1.814462278,5.869229261,2.08837725,10.04681813,0.765549115,2.262272627,5.35731949,3.101414118,6.135466356,1.022886092,2.300504076,1.036424157,3.39E-05,6.83E-30,3.24E-76,3.10E-144,5.86E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,5.487738859,5.869625131,11.01481211,13.27805256,1.555626252,10.31848379,15.95464538,11.67883488,17.64135066,5.051741265,15.77973146,9.481084597,3.10E-04,6.25E-29,2.96E-75,2.84E-143,5.36E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,2.659866847,5.638458987,3.022797433,10.63020274,0.963029702,3.366143198,6.820677242,4.158578281,8.511737405,1.608597187,3.905162055,1.902628323,6.23E-05,1.25E-29,5.95E-76,5.69E-144,1.08E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,4.676345829,3.29409978,0.309711047,0.564765381,0.397830611,0.618105177,0.578877326,0.370360106,8.280156657,17.87288483,30.92393878,0.443893988,1.567342609,3.092096136,2.142145187,0.056865736,0.584394929,0.404857653,0.270213165,0.244700616,0.012485653,5.291107059,6.921367842,12.58913755,0.483878874,0.527399433,3.661467733,2.556167606,0.147738547,0.575216444,0.401573836,0.378906946,0.348498373,0.084274848,6.365373886,10.27790962,18.02601661,0.46518542,0.811680166,4.630484404,3.260754122,0.302391733,0.565132213,0.397962078,0.606039591,0.567212872,0.353061708,8.193630259,17.4851164,30.24452046,0.444641437,1.526314171,3.938911715,2.757905471,0.192018458,0.571781926,0.400344211,0.438513748,0.405706072,0.142362774,6.888835644,12.14905868,21.1238189,0.458189206,0.986582594,4.8225205,3.400382391,0.333039948,0.563645713,0.397429302,0.65735559,0.61684755,0.42825606,8.555942839,19.13696894,33.15423865,0.441612522,1.702459201,4.636405831,3.26526663,0.302216743,0.5651473,0.398014472,0.607590364,0.568783251,0.352653203,8.203889204,17.52711896,30.30629803,0.444742658,1.529026818 +UMLYSI0053,L,(1-butynyl)-benzene,CCC#CC1=CC=CC=C1,aromatic,C10H10,622-76-4,69328,UML,,480.8,0,2.1051,4.43144601,48.6496,24.26793,6,6,20,10,10,0,10,0,0,0,0,0,0,0,0,0,1452.80185,1563.71209,1796.790083,1514.358225,1039.148214,868.637789,618.462939,287.602729,56.556864,4546.006462,5382.535181,6733.543375,6073.012038,4271.749017,3556.591394,3115.934929,1996.457126,707.6164209,142.5898,146.58148,230.819276,256.049028,171.7638,136.551092,156.259884,153.019108,82.21824,32.33512905,39.0244431,51.38660489,48.47648232,34.10147196,28.19625753,26.84831627,19.48401646,8.011080479,3117.120081,2799.169038,4737.491836,5593.409036,3644.152413,2841.277657,3416.891892,3660.318901,2091.831407,51.52777778,58.83333333,82.41666667,85.66666667,58.83333333,44.5,44.5,35.5,16,72.6400925,78.1856045,56.14969009,42.06550625,43.29784225,45.71777837,28.11195177,13.07285132,4.713072,227.3003231,269.1267591,210.4232305,168.6947788,177.9895424,187.1890207,141.6334058,90.74805119,58.96803508,7.12949,7.329074,7.213102375,7.112473,7.156825,7.186899579,7.102722,6.955414,6.85152,1.616756452,1.951222155,1.605831403,1.346568953,1.420894665,1.484013554,1.220378012,0.885637112,0.66759004,155.8560041,139.9584519,148.0466199,155.3724732,151.8396839,149.5409293,155.3132678,166.3781319,174.3192839,2.576388889,2.941666667,2.575520833,2.37962963,2.451388889,2.342105263,2.022727273,1.613636364,1.333333333,0.057122543,-0.005930778,-0.016475271,0.001676926,-0.005572791,-0.002796112,-0.012113427,0.00227341,0.005953679,605.330045,1.49E-13,-60.5330045,60.5330045,-121.066009,-151.3325112,-242.132018,-2.06E-13,121.066009,1125.637067,2.84E-13,-112.5637067,112.5637067,-225.1274134,-281.4092668,-450.2548269,-3.13E-13,225.1274134,0.11858,1.37E-15,-0.011858,0.011858,-0.023716,-0.029645,-0.047432,-1.21E-15,0.023716,5.032121424,7.77E-15,-0.503212142,0.503212142,-1.006424285,-1.258030356,-2.01284857,-7.55E-15,1.006424285,27.33456344,4.04E-14,-2.733456344,2.733456344,-5.466912688,-6.833640861,-10.93382538,-3.42E-14,5.466912688,6.026388889,0.259722222,0.111944444,-0.107222222,-2.203888889,-1.265347222,-1.981805556,0.330694444,1.0675,0.002856127,-2.97E-04,-5.15E-04,4.66E-05,-2.32E-04,-1.47E-04,-5.51E-04,1.03E-04,4.96E-04,30.26650225,7.46E-15,-1.891656391,1.681472347,-5.044417042,-7.964869013,-11.00600082,-9.37E-15,10.08883408,56.28185336,1.42E-14,-3.517615835,3.126769631,-9.380308893,-14.81101404,-20.46612849,-1.42E-14,18.76061779,0.005929,6.85E-17,-3.71E-04,3.29E-04,-9.88E-04,-0.001560263,-0.002156,-5.51E-17,0.001976333,0.251606071,3.89E-16,-0.015725379,0.013978115,-0.041934345,-0.066212124,-0.091493117,-3.43E-16,0.08386869,1.366728172,2.02E-15,-0.085420511,0.075929343,-0.227788029,-0.359665308,-0.496992063,-1.55E-15,0.455576057,0.301319444,0.012986111,0.003498264,-0.002978395,-0.091828704,-0.066597222,-0.090082071,0.015031566,0.088958333,-0.103825519,-0.180262365,0.016309246,-0.081298772,-0.051525638,-0.192782144,0.036180751,0.173710732,2.47E-16,-0.0625,0.055555556,-0.166666667,-0.263157895,-0.363636364,-3.09E-16,0.333333333,2.52E-16,-0.0625,0.055555556,-0.166666667,-0.263157895,-0.363636364,-2.52E-16,0.333333333,1.16E-14,-0.0625,0.055555556,-0.166666667,-0.263157895,-0.363636364,-9.30E-15,0.333333333,1.54E-15,-0.0625,0.055555556,-0.166666667,-0.263157895,-0.363636364,-1.36E-15,0.333333333,1.48E-15,-0.0625,0.055555556,-0.166666667,-0.263157895,-0.363636364,-1.14E-15,0.333333333,0.043097488,0.011609818,-0.00988451,-0.30475532,-0.221018668,-0.298958704,0.049885814,0.295229316,1.03074713,1.097233731,1.043741501,1.239431034,0.991056849,1.024120931,0.790077691,0.624495636,0.95,1.009375,0.897222222,1.108333333,1.2,1.295454545,0.95,0.633333333,0.95,1.009375,0.897222222,1.108333333,1.2,1.295454545,0.95,0.633333333,0.95,1.009375,0.897222222,1.108333333,1.2,1.295454545,0.95,0.633333333,0.95,1.009375,0.897222222,1.108333333,1.2,1.295454545,0.95,0.633333333,0.95,1.009375,0.897222222,1.108333333,1.2,1.295454545,0.95,0.633333333,0.840746716,0.926408735,1.139727536,1.474226012,1.106245679,1.074818245,0.734459134,0.525466697,41.00722647,20.50361323,31.72263833,41.00722647,4.100722647,20.50361324,-1.42E-14,0.252900058,0.025290006,-1.374760896,45.23127746,4.523127746,3.811788827,41.00722647,20.50361323,31.72263833,41.00722647,4.100722647,20.50361324,-1.42E-14,0.252900058,0.025290006,-1.374760896,45.23127746,4.523127746,3.811788827,41.00722647,20.50361323,31.72263833,41.00722647,4.100722647,20.50361324,-1.42E-14,0.252900058,0.025290006,-1.374760896,45.23127746,4.523127746,3.811788827,41.00722647,20.50361323,31.72263833,41.00722647,4.100722647,20.50361324,-1.42E-14,0.252900058,0.025290006,-1.374760896,45.23127746,4.523127746,3.811788827,41.00722647,20.50361323,31.72263833,41.00722647,4.100722647,20.50361324,-1.42E-14,0.252900058,0.025290006,-1.374760896,45.23127746,4.523127746,3.811788827,41.00722647,20.50361323,31.72263833,41.00722647,4.100722647,20.50361324,-1.42E-14,0.252900058,0.025290006,-1.374760896,45.23127746,4.523127746,3.811788827,44.40719075,21.96115121,33.69119984,44.33573405,4.433573405,21.96115121,-0.217777778,0.276252124,0.027625212,-1.286441338,47.97126126,4.797126126,3.870602108,0,11.85,12.1501118,-0.203635495,0.096836142,5.078143494,8.343193729,10,20,16,13,3,3,0,1,0,7,10.93207,3.800990572,3.341484781,2.787129149,2.619181914,2.292323553,1.541342908,0.941428501,0.772455188,1.962200641,1.705888006,1.19623308,1.082250302,0.890724218,0.503271522,0.310513972,0.227947123,3.810311151,3.359763034,2.817866803,2.645815032,2.324571911,1.626945622,1.053336623,0.890922215,1.934879446,1.641870531,1.141202111,1.007167592,0.79014582,0.401516211,0.150156259,0.060869082,3.853506796,3.451400557,2.948250523,2.771820215,2.479811937,1.969612405,1.517793787,1.390528708,1.862617609,1.471964274,0.973000502,0.798620231,0.513857698,0.030561701,0.396843083,0.51794401,3.817287901,3.373813582,2.840330612,2.665925019,2.348966726,1.688406806,1.134811365,0.978126523,1.918261929,1.602458442,1.106062854,0.960278991,0.72700252,0.331047392,0.041902902,0.052594194,3.876052612,3.502861405,3.007813651,2.838078588,2.564753111,2.113813837,1.721464227,1.608401274,1.842191053,1.426389816,0.916169644,0.738564276,0.438142091,0.111436611,0.594311107,0.730055171,3.823436691,3.424567389,2.850184313,2.675312809,2.386709263,1.700260016,1.195767255,1.040432788,1.923507009,1.610197766,1.046178912,0.93290882,0.691048298,0.227439621,0.037035368,0.137386235,0,2,0,5,1,1,1,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.016037507,0.204124145,0,0,0,0.083333333,0,0,0,0.433012702,0.612372436,0.679412342,0.137891712,0.160908638,0.155411281,7.234204519,4.931851653,3.64626437,2.690670698,1.968614081,1.513420006,0.637136847,0.348461713,0.723420452,0.493185165,0.331478579,0.224222558,0.151431852,0.108101429,0.079642106,0.058076952,6.093858127,3.471343774,2.02135549,1.183291679,0.711936606,0.457105805,0.152799049,0.069700053,0.609385813,0.347134377,0.18375959,0.09860764,0.054764354,0.032650415,0.019099881,0.011616676,12.70913902,19.43918427,18.62745098,18.8,13.99277246,148.8547485,0.635456951,0.971959213,0.931372549,0.94,0.699638623,7.442737425,2.52769,42.966,44.38801919,65.39551953,88.77603837,8.877603837,44.38801919,0.155799856,0.015579986,-1.859183073,41.5279113,4.15279113,3.726365763,107,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,2,1,0,5,0,0,0,0,0,0,0,0,1,0,1,0,0,5,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.18964853,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.33800985,0,0.759976261,0.435171485,0,2.33800985,0,0,0,0,0,0,0,0,2.051527778,0,0.925490363,0,0,10.02955593,0,0,6.058842593,0,1.10125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.10125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.457936154,0,0.324804776,0.435171485,0,0.457936154,0,0,0,0,0,0,0,0,2.051527778,0,0.925490363,0,0,1.997148526,0,0,3.014537037,0,1.10125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.044305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.476458333,0,0.435171485,0.435171485,0,0.476458333,0,0,0,0,0,0,0,0,2.051527778,0,0.925490363,0,0,2.016527778,0,0,3.044305556,0,1.10125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.16666667,2.016666667,0.476458333,3.044305556,0.233472222,0.925490363,5.308788903,0.574509637,0.544305556,2.286851852,0.574509637,0.544305556,2.286851852,5,0.5,0,0,0.5,0.7,0.43333,0.43333,0.7,0.06667,0.06667,0,0,0.71429,0,0,0.1,0.1,0,14,1.4,5,0.5,9,0.9,4,0.4,0,0,4.65079,0.46508,10.92787,6.27707,0.62771,2.19103,0.2191,4.93185,2.74081,0.27408,-0.01785,-0.00178,0.06815,0.00682,0.3,10,0,0,0,0,0,0,0.25,1,2.580482024,3.065957321,3.546439345,3.78418372,3.78418372,20,51.60964047,61.31914642,70.92878689,75.6836744,75.6836744,0.231378213,0.59706732,0.709395727,0.820568799,0.875577667,0.875577667,3.321928095,1.741446071,1.255970774,0.77548875,0.537744375,0.537744375,0.215338279,0.555676558,0.660217973,0.763684145,0.81487961,0.81487961,6.503912516,19.97360932,23.13109818,26.22866776,26.46827249,26.46827249,35,26.48289214,22.2550331,18.15098141,17.56763611,17.56763611,8.1,4.760330579,3.111111111,4,8,4,2.56,1.194,0,2.142414564,0.25,0,11.46750113,4.68730728,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.161,0.156,0.587,0.704,4.251,11,12,13,14,8,6,4,2,0,90,2.772588722,3.198673118,3.70745584,4.153006475,4.599529306,4.385925275,4.576642102,4.342993404,3.840795496,0,6.305019937,6.070138889,0.428571429,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,0,4,7,0.75,1,0.444444444,0.1875,0.151111111,0.090277778,0.060408163,0.027777778,0,0,0,0.1,0.04040404,0.020833333,0.025185185,0.018055556,0.020136054,0.027777778,0,0,0,0.252391947,27.56160995,42.5576848,55.12321989,5.512321989,27.56160995,0.162869141,0.016286914,-1.814808216,52.10125507,5.210125507,3.953189038,0,145.0775528,4.321928095,3.761200116,4.48863637,5.241747015,5.993961427,6.758094504,7.518064181,8.285765421,9.048409505,9.817439348,80.91331789,3.044522438,0,4.17438727,0,5.517452896,0,6.955592608,0,8.438366411,8.701346403,130.0782503,6.503912516,19.70454557,1.970454557,0,0,0,133,9,3.561,42,1.233815187,2.1825911,3.028290571,4.16057408,5.249054681,5.991847194,6.76650729,7.823028977,8.628946269,0,104.8463457,132.414306,136.714423,195.0480969,255.5097734,183.7096547,94.43212664,36.68793757,8.767561661,0,351.6316974,484.8847882,539.6672616,774.5043869,1020.956733,894.2158665,641.5477373,459.9316982,268.2199605,0,9.069536865,15.79102153,21.61267572,29.81879109,37.78733421,42.669628,47.16826728,53.59306908,57.97326486,0,2.513677801,3.653448992,4.26025224,6.092832258,8.005772491,7.596439182,6.192313979,5.211565435,3.836540866,0,171.0134562,319.8417495,465.0595703,629.2104188,780.7801601,922.4996006,1117.670179,1364.228165,1595.644483,0,3.735092818,5.816017774,7.457861583,10.33441604,12.51999814,12.42929819,11.18127212,10.41424503,8.628946269,0,0.515517293,0.757235977,0.891392046,1.273297147,1.671143503,1.607849887,1.340440619,1.157629496,0.883604098,0,298.5234278,147.3017066,12.80433741,121.7377298,-60.06957473,-7.441388436,176.785698,207.3712813,20.24572584,0.710328381,0.350500407,0.030467573,0.289671619,-0.14293392,-0.017706581,125.4578014,61.90518573,5.381165661,51.16163925,-25.24490901,-3.127326518,0.127620237,0.19706788,2.972851766,2.919031483,420.2611576,0,1,0,786.661005,28.04747769,9.231293111,884.5929273,29.74210697,9.599482493,1270.150878,35.63917617,10.82975016,2.464753784,2.464753784,922.3678725,854.7259052,110.4747616,1.079138782,8.349127521,7.736843174,4.627537069,5.097145774,9.109654633,0.787207005,3.208643834,2.766728652,3.763457364,6.721360851,1.731361339,5.441059635,2.158734204,3.578110867,4.659660352,9.169586948,2.794845045,1.231443636,3.888072963,3.702251176,2.938890263,1.404305192,0.918743395,2.50E-07,3.74E-35,1.12E-84,6.44E-156,7.16E-249,0,0,0,0,0,0,0,0,0.279673651,2.766625202,0.301105274,2.527669208,0.0317341,3.924521598,2.007862519,0.374903645,0.333681969,2.011162243,0.816142864,0.139156765,0.134535161,0.244375504,0.167476762,0.044543786,0.006470785,1.76E-09,2.64E-37,7.87E-87,4.54E-158,5.04E-251,0,0,0,0,0,0,0,0,0.877538909,2.766632388,0.980779459,3.009142665,0.176396726,4.234079343,2.035459092,0.992375361,0.988984407,3.177384457,1.208074151,0.341127163,0.524555038,0.748000096,0.592798774,0.192098698,0.067430567,1.84E-08,2.75E-36,8.20E-86,4.73E-157,5.26E-250,0,0,0,0,0,0,0,0,3.029334379,2.766717391,3.541919705,6.332123232,1.555755826,5.348218263,2.148366052,3.369145902,4.314266563,8.627004513,2.669477844,1.157149531,3.525212108,3.419030294,2.719563612,1.275071391,0.818583825,2.23E-07,3.33E-35,9.96E-85,5.74E-156,6.38E-249,0,0,0,0,0,0,0,0,1.287954666,2.766641457,1.455390843,3.450870276,0.335760499,4.44658103,2.055353288,1.42704969,1.506444355,4.065540625,1.480675056,0.486005471,0.903980319,1.153760416,0.926451491,0.331990621,0.146468202,3.99E-08,5.97E-36,1.78E-85,1.03E-156,1.14E-249,0,0,0,0,0,0,0,0,3.872546041,2.766775942,4.594583232,8.312979559,2.462795468,5.784809447,2.198407991,4.366423491,6.029968476,11.29700571,3.263829015,1.514951891,5.382676603,4.832110076,3.8073464,1.935018184,1.339900897,3.65E-07,5.46E-35,1.63E-84,9.39E-156,1.04E-248,0,0,0,0,0,0,0,0,1.521092457,2.377874099,1.801738564,4.198157879,0.517182286,5.540725568,1.914418641,1.671401246,1.954413842,4.861404707,1.510767369,0.585685103,1.18244518,1.481519932,1.191186417,0.456128339,0.225905076,6.15E-08,9.20E-36,2.75E-85,1.58E-156,1.76E-249,0,0,0,0,0,0,0,0,8.897951992,1.360063153,0.392819458,0.835422981,0.127695453,0.657102714,0.395828362,0.286312481,10.6508346,16.13132459,31.53597254,0.753134471,1.339243557,6.563491151,0.685065973,0.169876407,0.884754325,0.092346446,0.357897686,0.100543343,0.05305013,7.418433531,5.727783292,13.91005325,0.827131487,0.511491159,7.313138408,0.901881231,0.241724938,0.864769929,0.106646384,0.44412341,0.174156008,0.107945817,8.456744577,8.581357382,18.63241867,0.797154894,0.726225235,8.818234659,1.337021237,0.385238471,0.836605414,0.12684616,0.645394274,0.382537472,0.275341815,10.54049437,15.70236227,30.78488255,0.754908122,1.30327356,7.711870908,1.017179415,0.279826194,0.85603026,0.112908576,0.493784663,0.221487872,0.14490302,9.008876516,10.28697327,21.49090616,0.78404539,0.860175556,9.15786014,1.435185249,0.417525014,0.831733489,0.130346131,0.696008954,0.440735777,0.32353955,11.0105704,17.56608722,34.06428315,0.747600234,1.460284281,8.79330657,1.333782777,0.384007776,0.83657362,0.126892822,0.641743627,0.380686915,0.273600701,10.51109712,15.61724192,30.63212081,0.75486043,1.296031243 +UMLYSI0054,L,bibenzyl,C1=CC=C(C=C1)CCC2=CC=CC=C2,aromatic,C14H14,103-29-7,7647,PubChem,,471.4,0,2.5404,6.45363216,69.2022,33.975102,12,12,28,14,14,0,14,0,0,0,0,0,0,0,0,0,2033.92259,2333.461047,2937.78477,2612.009751,1870.539226,1729.318426,1672.761562,1380.169064,778.898404,6364.409047,7959.066155,10898.09698,10856.27665,8633.553885,7381.049466,6673.433045,5702.064264,3778.523424,199.62572,212.754588,348.459912,449.96406,424.900072,366.362344,284.144104,242.189216,197.791888,45.26918067,57.42312034,82.26866649,87.25645002,72.86331302,61.27923292,53.26815244,45.91190082,32.5292122,4363.968114,4045.631009,6939.56505,9633.338883,9432.792616,8334.992651,6243.161244,5249.901924,4436.479404,64.05555556,78.58333333,115.6666667,128.7777778,110.6666667,95,84.33333333,75.33333333,56,72.6400925,80.46417403,61.20384938,41.46047224,31.17565377,33.25612358,41.81903905,40.59320776,27.81780014,227.3003231,274.4505571,227.0436871,172.3218516,143.8925647,141.943259,166.8358261,167.7077725,134.9472652,7.12949,7.336365103,7.2595815,7.142286667,7.081667867,7.045429692,7.1036026,7.123212235,7.063996,1.616756452,1.980107598,1.713930552,1.385023016,1.21438855,1.178446787,1.331703811,1.350350024,1.161757579,155.8560041,139.5045176,144.5742719,152.910141,157.2132103,160.2883202,156.0790311,154.4088801,158.445693,2.287698413,2.709770115,2.409722222,2.044091711,1.844444444,1.826923077,2.108333333,2.215686275,2,0.084303102,0.003058477,-0.030557584,-0.029391823,-0.011533675,0.031041673,0.006644071,-0.012470927,-0.014336608,847.462063,30.26650225,-242.132018,-272.3985203,-242.132018,242.132018,121.066009,-60.5330045,-121.066009,1575.891894,56.28185336,-450.2548269,-506.5366802,-450.2548269,450.2548269,225.1274134,-112.5637067,-225.1274134,0.166012,0.005929,-0.047432,-0.053361,-0.047432,0.047432,0.023716,-0.011858,-0.023716,7.044969994,0.251606071,-2.01284857,-2.264454641,-2.01284857,2.01284857,1.006424285,-0.503212142,-1.006424285,38.26838882,1.366728172,-10.93382538,-12.30055355,-10.93382538,10.93382538,5.466912688,-2.733456344,-5.466912688,5.956349206,0.471797052,-1.286281179,-2.665674603,-2.513605442,2.192176871,1.677437642,-0.085884354,-1.138888889,0.003010825,1.05E-04,-6.37E-04,-4.67E-04,-1.92E-04,5.97E-04,1.66E-04,-3.67E-04,-5.12E-04,30.26650225,1.043672491,-5.044417042,-4.323786036,-4.035533633,4.656384962,3.026650225,-1.780382485,-4.323786036,56.28185336,1.940753564,-9.380308893,-8.040264766,-7.504247115,8.658746671,5.628185336,-3.310697256,-8.040264766,0.005929,2.04E-04,-9.88E-04,-8.47E-04,-7.91E-04,9.12E-04,5.93E-04,-3.49E-04,-8.47E-04,0.251606071,0.008676071,-0.041934345,-0.035943724,-0.033547476,0.038708626,0.025160607,-0.014800357,-0.035943724,1.366728172,0.047128558,-0.227788029,-0.195246882,-0.182230423,0.210265873,0.136672817,-0.080395775,-0.195246882,0.212726757,0.016268864,-0.026797525,-0.042312295,-0.041893424,0.042157248,0.041935941,-0.00252601,-0.040674603,0.035028514,-0.211442482,-0.154953162,-0.063845595,0.198269654,0.055168196,-0.121824403,-0.170060265,0.034482759,-0.166666667,-0.142857143,-0.133333333,0.153846154,0.1,-0.058823529,-0.142857143,0.034482759,-0.166666667,-0.142857143,-0.133333333,0.153846154,0.1,-0.058823529,-0.142857143,0.034482759,-0.166666667,-0.142857143,-0.133333333,0.153846154,0.1,-0.058823529,-0.142857143,0.034482759,-0.166666667,-0.142857143,-0.133333333,0.153846154,0.1,-0.058823529,-0.142857143,0.034482759,-0.166666667,-0.142857143,-0.133333333,0.153846154,0.1,-0.058823529,-0.142857143,0.07647775,-0.125971575,-0.198904434,-0.196935376,0.198175575,0.197135243,-0.011874437,-0.191205863,0.902026157,1.108183582,1.056852979,0.940120653,0.659208555,0.899072243,1.249346852,1.376863277,0.931034483,1.125,1.102040816,1.092857143,0.815934066,0.867857143,1.021008403,1.102040816,0.931034483,1.125,1.102040816,1.092857143,0.815934066,0.867857143,1.021008403,1.102040816,0.931034483,1.125,1.102040816,1.092857143,0.815934066,0.867857143,1.021008403,1.102040816,0.931034483,1.125,1.102040816,1.092857143,0.815934066,0.867857143,1.021008403,1.102040816,0.931034483,1.125,1.102040816,1.092857143,0.815934066,0.867857143,1.021008403,1.102040816,0.898780124,1.041430713,1.107261825,1.089173884,0.707067083,0.821602265,1.125837677,1.295136576,80.70381375,40.35190688,65.26062442,80.70381375,5.764558125,40.35190688,-1.42E-14,6.66E-16,4.76E-17,-48.92305754,74.08347067,5.291676476,6.027269415,80.70381375,40.35190688,65.26062442,80.70381375,5.764558125,40.35190688,-1.42E-14,6.66E-16,4.76E-17,-48.92305754,74.08347067,5.291676476,6.027269415,80.70381375,40.35190688,65.26062442,80.70381375,5.764558125,40.35190688,-1.42E-14,6.66E-16,4.76E-17,-48.92305754,74.08347067,5.291676476,6.027269415,80.70381375,40.35190688,65.26062442,80.70381375,5.764558125,40.35190688,-1.42E-14,6.66E-16,4.76E-17,-48.92305754,74.08347067,5.291676476,6.027269415,80.70381375,40.35190688,65.26062442,80.70381375,5.764558125,40.35190688,-1.42E-14,6.66E-16,4.76E-17,-48.92305754,74.08347067,5.291676476,6.027269415,80.70381375,40.35190688,65.26062442,80.70381375,5.764558125,40.35190688,-1.42E-14,6.66E-16,4.76E-17,-48.92305754,74.08347067,5.291676476,6.027269415,99.33053739,49.34397969,82.77388718,99.23348523,7.088106088,49.34397969,-0.16984127,0.003138059,2.24E-04,-8.069810954,68.78786094,4.913418639,5.923438205,0,11.85,12.15017245,-0.210039336,0.090160014,6.576787109,8.919696707,15,29,23,17,3,6,0,0,0,12,15.304898,3.821835482,3.730499184,3.102501626,2.660613129,2.619181914,2.619181914,2.202810951,1.504026177,2.018233728,1.923178218,1.522472871,1.082250302,1.082250302,1.060945469,0.827104614,0.634064321,3.833864325,3.74224393,3.128396871,2.681502641,2.645815032,2.645815032,2.242070125,1.592268517,1.986489537,1.891951837,1.457447097,1.007167592,1.007167592,0.990562968,0.733064146,0.49586656,3.888412805,3.795624699,3.247229844,2.783632224,2.771820215,2.771820215,2.421772389,1.965214975,1.899681811,1.806673784,1.271827573,0.806111584,0.798620231,0.798620231,0.458719164,0.03531327,3.842806009,3.750981131,3.147755104,2.697427756,2.665925019,2.665925019,2.271423467,1.656787483,1.966906637,1.872695167,1.41644419,0.960278991,0.960278991,0.947638172,0.673200095,0.40329651,3.91615904,3.822840313,3.307681307,2.839715304,2.838078588,2.838078588,2.512351019,2.133302438,1.874305698,1.781802329,1.216403104,0.756118132,0.738564276,0.738564276,0.375316519,0.126067794,3.852083786,3.790496282,3.098581141,2.740715257,2.740715257,2.704015366,2.283317685,1.672463473,1.973571892,1.829503047,1.429933792,0.925461265,0.873250273,0.873250273,0.617310804,0.340722106,0,0,0,10,2,0,2,0,0,0,0,0,0.204124145,0.144337567,0,0,0,0.06415003,0.045360921,0.40824829,0,0,0,0.23570226,0,0,0,0.866025404,1.187287393,1.337429925,0.438832194,0.511485683,0.485004885,9.639981913,6.949489743,5.585421959,4.43265299,3.423034123,2.707908119,1.28445705,0.870790812,0.688570137,0.463299316,0.31030122,0.211078714,0.142626422,0.096711004,0.064222853,0.043539541,8.187716254,5.028473986,3.471197119,2.387999593,1.57802961,1.067818443,0.490508088,0.286372252,0.584836875,0.335231599,0.192844284,0.113714266,0.065751234,0.038136373,0.024525404,0.014318613,17.79279463,27.21485798,26.07843137,26.32,19.58988144,208.3966479,0.635456951,0.971959213,0.931372549,0.94,0.699638623,7.442737425,3.4718,60.292,89.45993032,131.4802725,178.9198606,12.77999005,89.45993032,9.99E-16,7.14E-17,-48.35540639,99.91013751,7.136438393,6.44597962,212,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,2,0,0,10,0,0,0,0,0,0,0,0,0,0,2,0,0,10,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,24.0737037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.19,0,0.890555556,0,0,4.19,0,0,0,0,0,0,0,0,0,0,2.25962963,0,0,21.24712396,0,0,0,0,2.826579743,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.413289872,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0.445277778,0,0,0.406597222,0,0,0,0,0,0,0,0,0,0,1.129814815,0,0,2.061524943,0,0,0,0,1.413289872,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.183472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.433055556,0,0.445277778,0,0,0.433055556,0,0,0,0,0,0,0,0,0,0,1.129814815,0,0,2.183472222,0,0,0,0,1.413289872,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26.33333333,1.880952381,0.445277778,2.183472222,0.159722222,1.129814815,8.007347494,0.370185185,0.183472222,2.494247921,0.370185185,0.183472222,2.494247921,7,0.5,0,0,0.5,0.7,0.44,0.44,0.7,0.06,0.06,0,0,0.71429,0,0,0,0.14286,0,19.5,1.39286,7.5,0.53571,12,0.85714,4.5,0.32143,0,0,7.47312,0.53379,17.32207,9.84894,0.7035,2.98511,0.21322,6.94948,3.96436,0.28317,-0.03548,-0.00253,0.13652,0.00975,0.5,43,0,0,0,0,0,0,0.142857143,1,2.005977711,2.352745781,3.039148672,3.378783493,3.378783493,28,56.16737592,65.87688186,85.09616281,94.60593782,94.60593782,0.208014598,0.417272647,0.489405467,0.632187288,0.702836289,0.702836289,3.807354922,2.801377211,2.454609141,1.76820625,1.428571429,1.428571429,0.194959022,0.391083453,0.458689016,0.592509452,0.658724325,0.658724325,6.503912516,13.8318589,17.99307573,22.41817513,22.76046761,22.76046761,49,45.26676764,40.20557976,32.00821957,30.78258142,30.78258142,10.51555556,5.777777778,3.591836735,2,6,2,3,1.606,0,0,0,0,19.67152367,9.627407799,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.181,0.184,0.979,1.288,7.066,18,21,24,28,20,20,20,20,16,216,3.091042453,3.583518938,4.051784948,4.502583597,4.968944867,4.523146351,4.721841493,5.029620594,5.432902891,5.614495784,7.102653665,5.621238426,0.444444444,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.2,3,0.2,0,5,9,0.8,1.5,0.666666667,0.125,0.302222222,0.180555556,0.001632653,0.048611111,0.032249937,0,0,0.1,0.037037037,0.008333333,0.030222222,0.018055556,1.63E-04,0.006076389,0.008062484,0,0,0.207950287,50.32729725,78.88440053,100.6545945,7.189613893,50.32729725,1.39E-16,9.91E-18,-51.11911983,80.61658045,5.758327175,6.145586078,0,188.3685739,4.807354922,4.204692619,4.976733742,5.765191103,6.549650742,7.342779189,8.13123655,8.925720274,9.715771471,10.51061377,95.12238947,3.433987204,0,4.634728988,0,6.042632834,0,7.529943371,0,9.049114723,9.300089664,182.1095504,6.503912516,28.59004649,2.042146178,0,0,0,343,15,4.398,66,1.249642795,2.219256525,3.037428234,3.893622114,4.688068599,5.525880037,6.225382724,7.135239624,8.113416799,9.145558776,109.8161352,144.5599675,131.7426033,131.8026163,168.3310219,247.4681146,273.6212965,209.4987402,120.5692532,42.88856046,364.6117149,525.2388513,542.4241644,588.1828181,700.096751,960.8521299,1104.911955,999.1571912,770.76245,537.6731371,9.19748141,16.14490535,21.74700849,27.62923133,33.10466607,39.31025194,44.48725204,50.50497185,56.48235036,62.65323678,2.591875355,3.923202625,4.330289888,4.893195211,5.733643249,7.572569887,8.781403496,8.525525283,7.374880618,6.092509654,172.4851191,318.6123999,460.5111027,608.2182728,746.0833878,858.8706186,950.9370874,1122.949983,1346.69921,1594.863941,3.479362706,5.452286732,6.320880548,7.321406594,8.76515139,11.86019141,14.26804291,14.58913436,13.50461386,12.17468282,0.530975969,0.811450175,0.907186428,1.033157748,1.208873452,1.584871563,1.83894711,1.807734497,1.595236325,1.353312687,293.9798994,219.0806463,16.24162219,159.161625,-118.6109382,-9.39076041,134.8182744,337.6915845,25.6323826,0.648759568,0.483470692,0.035842273,0.351240432,-0.261752525,-0.020723681,133.2144998,99.27453806,7.359753441,72.12274141,-53.74754135,-4.255343488,0.083235334,0.082849949,0.482430053,1.026574556,453.1415245,0,1,0,1136.625076,33.71387068,10.43612033,1274.366704,35.69827313,10.8417188,2032.211014,45.08005117,12.66648948,2.046432403,2.046432403,1683.25605,1509.430156,246.4295348,1.115159945,6.83057756,6.125199878,5.433289732,5.748735656,10.30982476,0.793407346,4.721430866,4.265596398,5.912146733,16.41320484,5.901448451,7.052479275,5.660886394,8.98908556,9.368708248,10.26256152,10.61415907,2.372153976,8.436668982,3.822585211,5.659292772,1.24765754,2.425701939,0.182983591,1.713314132,0.026872219,2.05E-21,3.03E-62,8.62E-125,4.73E-209,5.002914253E-315,0,0,0,0,0,0.396456676,4.265511071,0.49103484,6.237592764,1.797425248,2.117260033,0.651260538,1.789641307,3.702872196,2.24655305,4.350190875,0.329447048,3.054766992,1.022699442,1.817660846,0.031328455,0.201598683,0.002611585,0.012067012,1.89E-04,1.45E-23,2.13E-64,6.07E-127,3.33E-211,3.523593E-317,0,0,0,0,0,1.279276113,4.265517084,1.587212849,7.299055237,2.331745513,2.979761001,1.609125948,3.149234201,4.532258499,3.386719461,5.360502711,0.644530367,3.986067448,1.512905988,2.367831785,0.146252225,0.652085633,0.016828532,0.125747564,0.001972269,1.51E-22,2.22E-63,6.33E-126,3.47E-210,3.671856E-316,0,0,0,0,0,4.456659045,4.26558714,5.576595747,15.43097662,5.5428708,6.699094062,5.33130984,8.509438002,8.906121492,9.596333448,10.13576862,2.211060315,8.048021583,3.622413486,5.341333602,1.126018189,2.288305768,0.163945923,1.526532046,0.023942663,1.83E-21,2.70E-62,7.68E-125,4.21E-209,4.45750653E-315,0,0,0,0,0,1.885303981,4.265524597,2.342788655,8.329267687,2.788624879,3.614859488,2.285883083,4.115203628,5.198738346,4.316701948,6.133713229,0.891074493,4.675039114,1.873559986,2.814982779,0.264739628,0.962370006,0.033298673,0.273140512,0.004284031,3.28E-22,4.83E-63,1.37E-125,7.54E-210,7.9757619E-316,0,0,0,0,0,5.701761743,4.265635258,7.158713007,20.45789443,7.350967852,8.419101437,6.907150873,10.80917572,11.21285962,12.92856419,12.49319223,3.009532696,9.942839845,4.596391195,6.930539778,1.751598743,2.935823957,0.26254971,2.498707642,0.039190605,3.00E-21,4.42E-62,1.26E-124,6.90E-209,7.29628026E-315,0,0,0,0,0,2.511460009,3.546511368,3.177028881,8.701528834,2.964338241,4.10930069,2.942231651,4.934216127,5.8123467,5.465664249,6.941914341,1.221706344,5.691927826,2.453732978,3.624044252,0.429943733,1.363978663,0.056583061,0.48426312,0.007595352,5.81E-22,8.56E-63,2.44E-125,1.34E-209,1.414058763E-315,0,0,0,0,0,8.749315212,2.084015343,0.415769619,0.777779118,0.185260626,0.533534574,0.525032319,0.240632514,11.24910017,22.73787686,41.56799851,0.666668677,1.299199407,8.089170471,1.155342862,0.199510172,0.856538579,0.122335873,0.457146871,0.161561402,0.056485239,9.444023506,11.19013981,22.49873857,0.784807868,0.675193512,8.300732805,1.453452024,0.269664943,0.828098285,0.144999382,0.480933915,0.255482641,0.102314876,10.02384977,14.69507858,27.97235954,0.742147428,0.838731432,8.726709301,2.05229278,0.40848056,0.780042265,0.183445449,0.530813233,0.509171705,0.232365731,11.18748264,22.31277529,40.81604773,0.670063398,1.272350668,8.413426942,1.612072193,0.30667886,0.814293651,0.156024431,0.493871348,0.314225712,0.131888327,10.332178,16.63766027,31.12933948,0.721440476,0.939985386,8.823048918,2.187444391,0.439494901,0.770572751,0.191043375,0.54246295,0.578437283,0.268527956,11.44998821,24.13898453,44.07119307,0.655859127,1.389428189,8.752681338,2.051916641,0.407276957,0.780661699,0.183012801,0.533972962,0.508980013,0.230882557,11.21187494,22.36023628,40.88671272,0.670992549,1.273835533 +UMLYSI0055,L,"1-ethenyl-2,5-dimethylbenzene",CC1=CC(=C(C=C1)C)C=C,aromatic,C10H12,2039-89-6,16265,UML,,469.3,0,2.8081,7.88542561,48.4469,25.601516,6,6,22,10,12,0,10,0,0,0,0,0,0,0,0,0,1454.833978,1587.926266,2076.259429,2049.001932,1384.238191,715.405323,181.692,17.273088,0,4608.173951,5612.008414,7559.091796,8158.60608,6748.637992,4292.096176,1979.317562,528.4236553,0,156.026728,160.816744,258.938068,295.700016,340.215676,286.704876,180.268416,114.213888,0,33.22435486,41.25153172,57.18469929,63.75279077,57.81937125,39.9784813,20.9249752,7.558419382,0,3486.955385,3105.414133,5392.710957,6057.47147,7515.331096,6707.76155,4362.727492,3143.600084,0,53.33333333,62.11111111,84.11111111,99.44444444,101.3333333,77.33333333,44,17,0,66.12881718,72.17846664,57.67387303,49.97565688,28.83829565,17.44891032,6.988153846,1.016064,0,209.4624523,255.0912915,209.9747721,198.9903922,140.5966248,104.6852726,76.12759855,31.08374443,0,7.092124,7.309852,7.192724111,7.212195512,7.087826583,6.992801854,6.933400615,6.718464,0,1.510197948,1.875069624,1.588463869,1.554946116,1.204570234,0.97508491,0.804806738,0.444612905,0,158.4979721,141.1551879,149.7975266,147.7432066,156.5693978,163.6039403,167.7972112,184.917652,0,2.424242424,2.823232323,2.336419753,2.425474255,2.111111111,1.886178862,1.692307692,1,0,0.056602053,-0.006712214,-0.003208746,-0.009328391,-0.018280755,-0.006445992,-0.006807231,0.0224823,0,660.3600491,-6.39E-14,163.0889212,-273.1489294,-373.2034823,-152.0829204,-120.0654635,425.2318498,0,1227.96771,4.69E-13,303.2708131,-507.9320981,-693.9878117,-282.8046847,-223.2668563,790.7367827,0,0.12936,1.87E-15,0.031948,-0.053508,-0.073108,-0.029792,-0.02352,0.0833,0,5.489587008,1.12E-14,1.35576164,-2.270692808,-3.102448415,-1.264268523,-0.998106729,3.534961331,0,29.81952376,-4.04E-14,7.364518746,-12.33443937,-16.85254903,-6.867526683,-5.421731592,19.20196605,0,6.787878788,-1.888888889,1.246097337,-0.963269054,-1.719008264,-0.771349862,-2.809917355,3.512396694,0,0.002572821,-3.05E-04,-8.91E-05,-2.28E-04,-3.81E-04,-1.57E-04,-2.62E-04,0.001322488,0,30.01636587,-2.91E-15,4.530247812,-6.66216901,-7.775072548,-3.709339522,-4.617902441,25.01363822,0,55.81671408,2.13E-14,8.424189254,-12.38858776,-14.45807941,-6.897675235,-8.587186781,46.5139284,0,0.00588,8.52E-17,8.87E-04,-0.001305073,-0.001523083,-7.27E-04,-9.05E-04,0.0049,0,0.249526682,5.07E-16,0.037660046,-0.055382751,-0.064634342,-0.030835818,-0.03838872,0.207938902,0,1.355432898,-1.84E-15,0.204569965,-0.300839985,-0.351094771,-0.167500651,-0.208528138,1.129527415,0,0.308539945,-0.085858586,0.034613815,-0.023494367,-0.035812672,-0.018813411,-0.108073744,0.20661157,0,-0.118586047,-0.034643623,-0.088432798,-0.148027831,-0.061107763,-0.101762463,0.51402273,0,-9.68E-17,0.150925926,-0.22195122,-0.259027778,-0.123577236,-0.153846154,0.833333333,0,3.82E-16,0.150925926,-0.22195122,-0.259027778,-0.123577236,-0.153846154,0.833333333,0,1.45E-14,0.150925926,-0.22195122,-0.259027778,-0.123577236,-0.153846154,0.833333333,0,2.03E-15,0.150925926,-0.22195122,-0.259027778,-0.123577236,-0.153846154,0.833333333,0,-1.36E-15,0.150925926,-0.22195122,-0.259027778,-0.123577236,-0.153846154,0.833333333,0,-0.27827381,0.112185847,-0.076146922,-0.116071429,-0.06097561,-0.350274725,0.669642857,0,1.136423886,0.89921271,1.043739627,1.150789613,1.144931979,1.072647972,0.04498426,0,1.05,0.855555556,1.220731707,1.203125,1.032926829,1.036538462,0,0,1.05,0.855555556,1.220731707,1.203125,1.032926829,1.036538462,0,0,1.05,0.855555556,1.220731707,1.203125,1.032926829,1.036538462,0,0,1.05,0.855555556,1.220731707,1.203125,1.032926829,1.036538462,0,0,1.05,0.855555556,1.220731707,1.203125,1.032926829,1.036538462,0,0,1.390625,0.658854167,0.888719512,1.067057292,1.19054878,1.546875,0,0,36.03311887,18.01655944,24.9456713,36.03311887,3.603311887,18.01655951,-7.11E-15,0.071832798,0.00718328,-2.633414108,53.95871733,5.395871733,3.98821926,36.03311887,18.01655944,24.9456713,36.03311887,3.603311887,18.01655951,-7.11E-15,0.071832798,0.00718328,-2.633414108,53.95871733,5.395871733,3.98821926,36.03311887,18.01655944,24.9456713,36.03311887,3.603311887,18.01655951,-7.11E-15,0.071832798,0.00718328,-2.633414108,53.95871733,5.395871733,3.98821926,36.03311887,18.01655944,24.9456713,36.03311887,3.603311887,18.01655951,-7.11E-15,0.071832798,0.00718328,-2.633414108,53.95871733,5.395871733,3.98821926,36.03311887,18.01655944,24.9456713,36.03311887,3.603311887,18.01655951,-7.11E-15,0.071832798,0.00718328,-2.633414108,53.95871733,5.395871733,3.98821926,36.03311887,18.01655944,24.9456713,36.03311887,3.603311887,18.01655951,-7.11E-15,0.071832798,0.00718328,-2.633414108,53.95871733,5.395871733,3.98821926,43.07922852,21.40628092,29.59564917,42.86589518,4.286589518,21.40628093,-0.266666667,0.057856226,0.005785623,-2.849794215,49.89675618,4.989675618,3.909955994,0,11.79,12.21007879,-0.290582969,0.131111211,5.690874903,9.241506557,10,22,18,15,3,4,1,0,0,7,13.118484,3.84913199,3.168453094,2.974504769,2.481742896,2.340145823,1.815340977,1.131564226,0.702558176,2.00931989,1.560513875,1.481086447,1.200725693,0.960240609,0.586311867,0.398888521,0.008964554,3.858297335,3.190972469,3.004258856,2.51992165,2.395683543,1.874559134,1.232821319,0.82067997,1.981778821,1.495606751,1.402485171,1.098011027,0.87732525,0.480538841,0.247362892,0.125995403,3.900832057,3.296851868,3.14537342,2.7265076,2.598708315,2.11801852,1.657217099,1.291283732,1.909829529,1.319317116,1.175256592,0.772393284,0.633492233,0.163677122,0.263917494,0.62581699,3.865158746,3.207932229,3.026771163,2.550194928,2.4344371,1.917257345,1.306734825,0.905535838,1.965124859,1.455571059,1.352436106,1.030226731,0.824709906,0.413128944,0.145446109,0.220195518,3.923122137,3.352418716,3.219048723,2.83871004,2.682390864,2.228107813,1.845826703,1.487061086,1.889672946,1.268970559,1.108179539,0.669355205,0.552817417,0.058803846,0.445937211,0.819342432,3.819001179,3.350838442,3.021659048,2.58589056,2.48200951,1.920870142,1.404313424,0.945909436,2.012922487,1.414138184,1.259584738,0.978042762,0.762671952,0.392988471,0.049082287,0.259711226,0,0,1,4,3,2,0,0,0,0,0,0,0.068041382,0.184195286,0,0,0,0.024056261,0.062001411,0.691044062,0,0.11785113,0,0.394337567,0,0.048112522,0,1.41820032,1.837206481,2.347559179,0.661596466,0.706120849,0.806798752,7.560477932,4.736382105,4.063836075,3.149041354,2.219131906,1.671267628,0.587806669,0.212378949,0.756047793,0.473638211,0.312602775,0.20993609,0.138695744,0.09830986,0.065311852,0.053094737,6.516507858,3.434957297,2.564166485,1.654653067,0.979813382,0.651753193,0.184711284,0.050541089,0.651650786,0.34349573,0.197243576,0.110310204,0.061238336,0.038338423,0.020523476,0.012635272,13.25096682,21.32702112,20.35294118,20.56,14.79132695,165.140309,0.602316674,0.969410051,0.92513369,0.934545455,0.672333043,7.506377681,2.20293,42.751,42.60022158,58.59403027,85.20044317,8.520044317,42.60022158,0.005572597,5.57E-04,-5.189894143,64.21742664,6.421742664,4.162274617,80,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,3,0,0,0,1,5,0,0,0,0,0,0,0,0,2,1,0,0,1,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.81657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.433055556,0.424375,1.219791667,0,0,0,0.424375,2.077222222,0,0,0,0,0,0,0,0,4.183425926,3.73287037,0,0,1.891203704,6.372037037,0,0,0,0,3.820462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.433055556,0.424375,0.406597222,0,0,0,0.424375,0.406597222,0,0,0,0,0,0,0,0,2.089722222,3.73287037,0,0,1.891203704,2.113425926,0,0,0,0,1.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.73287037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.433055556,0.424375,0.406597222,0,0,0,0.424375,0.433055556,0,0,0,0,0,0,0,0,2.093703704,3.73287037,0,0,1.891203704,2.141203704,0,0,0,0,1.292222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20,2,0.433055556,3.73287037,0.1775,1.236111111,6.193161481,0.430555556,0.73287037,2.576666667,0.430555556,0.73287037,2.576666667,5,0.5,0,0,0.48182,0.7,0.43333,0.43333,0.7,0.04848,0.04848,0,0,0.71429,0,0,0.3,0.3,0,12.5,1.25,5,0.5,7.5,0.75,2.5,0.25,0,0,5.60707,0.56071,12.04465,6.43759,0.64376,2.07533,0.20753,4.73636,2.66103,0.2661,0.17764,0.01776,0.26364,0.02636,0.272727273,10,0,0,0,0,0,0,0.2,0.994030211,2.503997527,3.118078209,3.572623664,3.936260028,3.845350937,21.86866465,55.0879456,68.59772061,78.59772061,86.59772061,84.59772061,0.222905136,0.561505981,0.699209782,0.801138793,0.882682002,0.862296199,3.465401407,1.955434091,1.341353409,0.886807955,0.523171591,0.614080682,0.211476005,0.532715592,0.663358834,0.760061585,0.837423787,0.818083236,6.685280239,18.80915623,23.42519665,25.8818762,26.24835803,25.15744894,36.74662124,26.8469595,20.33008075,16.89277734,15.95371792,17.29522607,8.1,3.408284024,1.991111111,1,8,0,2.56,1.237,0.646330407,4.431312644,3.807442432,0,2.620741394,7.485690587,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0.003,0.148,0.136,0.545,0.807,4.764,13,15,16,17,9,4,1,0,0,95,2.708050201,3.238678452,3.743604354,4.187759007,4.621904385,4.274928499,3.893731735,2.784239339,0,0,5.96734794,4.099671053,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,3,0.3,0,3,5,0.666666667,2.5,1.333333333,0.6875,0.533333333,0.0625,0,0,0,0,0,0.25,0.102564103,0.057291667,0.076190476,0.020833333,0,0,0,0,0,0.506879579,23.74880641,33.19882277,47.49761282,4.749761282,23.74880641,0.044471669,0.004447167,-3.112902943,47.56259181,4.756259181,3.862046566,0,147.7140115,4.321928095,3.850147602,4.634728988,5.459585514,6.267200549,7.090909822,7.905072849,8.726967775,9.543449818,10.36429276,83.84235567,3.044522438,0,4.290459441,0,5.752572639,0,7.311218384,0,8.913415718,9.142382679,132.0939004,6.004268199,19.39764338,1.939764338,0,0,0,115,12,3.721,46,1.229104715,2.158260221,3.048820278,3.796069525,4.627837015,5.291866644,6.565771611,0,0,0,97.51689202,135.3617149,160.6208493,117.5459901,88.43151688,41.3627743,6.671244166,0,0,0,334.0994705,482.1891212,627.6305114,561.43448,501.424573,435.9108568,204.0887667,0,0,0,9.012738725,15.58111079,22.02555085,26.98749672,32.37990335,36.84835469,44.1119002,0,0,0,2.416239914,3.599020741,4.860570704,4.75601684,4.600865557,4.523244784,2.919226788,0,0,0,171.7409818,319.3024271,447.9479125,588.2021772,756.1083254,875.3972663,1214.12707,0,0,0,3.560786666,5.237445311,7.544532399,8.239155896,8.787782511,9.477287258,6.565771611,0,0,0,0.496640039,0.744990597,1.012117998,1.006543489,0.988235385,0.988343641,0.672335013,0,0,0,294.1789979,153.5712215,12.49418254,113.5296318,-59.26624385,-6.168916686,180.6493661,212.8374653,18.66309923,0.72154224,0.376669048,0.030644881,0.27845776,-0.145364212,-0.015130699,119.9393161,62.61231226,5.093986042,46.28701059,-24.16335907,-2.515120568,0.119942843,0.187971527,2.539285959,3.150803405,407.7086296,0,1,0,766.0089484,27.67686667,9.149793254,883.5272551,29.72418637,9.5956261,1350.982874,36.75571893,11.05477602,1.446908979,1.446908979,630.6615341,465.4459783,194.0145895,1.354961829,3.250588194,2.399025658,4.278207573,4.288153178,7.481575064,0.744707979,3.836899642,3.012332187,4.598048295,9.213551017,2.359401765,8.272735849,8.560197404,10.04495762,2.328699625,4.072984814,5.437318133,3.58673185,0.931273997,0.967617864,2.13E-12,9.02E-46,7.39E-101,1.17E-177,3.55E-276,0,0,0,0,0,0,0,0,0,0,0,0.322135423,3.012209881,0.328731902,4.356887745,0.813110011,1.632889206,1.349619151,1.503298955,0.311216779,0.279195396,0.272883614,0.092575403,0.006601707,0.006815012,1.50E-14,6.36E-48,5.20E-103,8.21E-180,2.50E-278,0,0,0,0,0,0,0,0,0,0,0,1.039573732,3.012218382,1.097805859,5.097616195,0.955018473,2.710742038,2.642184554,2.865394399,0.581274257,0.872608379,0.989373226,0.436187886,0.068459864,0.071017677,1.56E-13,6.62E-47,5.42E-102,8.56E-179,2.61E-277,0,0,0,0,0,0,0,0,0,0,0,3.621728295,3.012318875,4.300463547,8.827568495,2.203281572,7.768085459,8.055352122,9.387102844,2.155042978,3.776706903,5.001694596,3.242063018,0.829777744,0.862130096,1.89E-12,8.04E-46,6.58E-101,1.04E-177,3.16E-276,0,0,0,0,0,0,0,0,0,0,0,1.53207264,3.012229106,1.656151108,5.68051734,1.104016034,3.533044196,3.582718366,3.913687412,0.808749881,1.333704591,1.581485532,0.781814717,0.148598977,0.154259884,3.39E-13,1.44E-46,1.18E-101,1.86E-178,5.66E-277,0,0,0,0,0,0,0,0,0,0,0,4.63358229,3.012388089,5.740996057,10.74333856,3.007224736,10.25268665,10.50141959,12.6339126,3.028611077,5.242663962,7.185874499,5.011352514,1.358036432,1.411179717,3.10E-12,1.32E-45,1.08E-100,1.70E-177,5.18E-276,0,0,0,0,0,0,0,0,0,0,0,2.098785296,2.558456471,2.017270595,5.81250061,1.502949804,4.3371952,4.221975745,4.901340758,1.330884991,1.652075583,2.292300104,1.332966656,0.232957247,0.241904466,5.32E-13,2.26E-46,1.85E-101,2.92E-178,8.88E-277,0,0,0,0,0,0,0,0,0,0,0,5.127944665,2.168863233,0.365315744,0.669258929,0.283062938,0.582779707,0.554898296,0.287736509,7.662123641,13.78744945,25.51254561,0.503888394,1.425414512,3.415547004,1.359640126,0.109705885,0.699206102,0.278335702,0.261416323,0.217963176,0.026027803,4.884893015,5.167780888,10.56213868,0.548809153,0.505407302,3.991669446,1.637859366,0.196550134,0.685138235,0.281125502,0.354860039,0.318794227,0.083542371,5.826078946,7.644277828,14.7553609,0.527707353,0.757196637,5.073378335,2.14373309,0.357263254,0.669808209,0.283024432,0.570508283,0.542471196,0.275239201,7.574374679,13.45437773,24.91433649,0.504712313,1.38821868,4.287927275,1.778137746,0.240810091,0.679881431,0.281936413,0.408697703,0.375711697,0.125330799,6.306875113,9.085295013,17.22823277,0.519822146,0.909740199,5.304010481,2.249755464,0.391271087,0.667587887,0.283164881,0.623288522,0.595736814,0.329889025,7.945037032,14.88829677,27.50226469,0.50138183,1.548914362,5.081171786,2.145677012,0.357160471,0.669984912,0.282921201,0.572379635,0.544164937,0.275220011,7.584009269,13.48369822,24.96166863,0.504977369,1.391764583 +UMLYSI0056,L,1-phenyl-1-cyclohexene,C1CCC(=CC1)C2=CC=CC=C2,cyclic alkenes,C12H14,771-98-2,13043,PubChem,,468,0,1.222,1.493284,53.9746,30.455102,6,6,26,12,14,0,12,0,0,0,0,0,0,0,0,0,1745.394348,2044.932805,2651.288656,2437.52075,1822.110874,1471.015064,869.744404,304.790137,44.449776,5517.375243,7112.032352,10113.23066,10275.05236,8174.60742,6691.723045,4768.182206,2266.612465,592.8798046,184.544688,197.673556,346.815808,461.381432,396.429544,332.323424,287.926096,193.72906,75.100608,39.69138067,51.84532034,77.5800923,83.79459452,68.40913578,56.37438842,42.9916998,22.82062529,6.897536169,4110.379401,3792.042297,7055.811641,10156.6828,8820.302425,7431.26567,6617.84315,4738.029709,1938.708859,52.55555556,65.02777778,102.5,120.0833333,101.3333333,85,68.5,40,13.5,67.13055185,75.73825204,55.23518033,37.50031923,32.53769418,31.29819285,21.21327815,10.88536204,4.040888727,212.2067401,263.4086056,210.6923055,158.0777287,145.9751325,142.3770861,116.297127,80.95044517,53.89816405,7.097872615,7.321242815,7.225329333,7.098175877,7.079099,7.070711149,7.022587707,6.918895,6.827328,1.526591564,1.92019705,1.616251923,1.289147608,1.22159171,1.199455073,1.048578044,0.815022332,0.627048743,158.0915154,140.446011,146.9960759,156.2566584,157.5054004,158.1120355,161.4108085,169.2153468,176.2462599,2.021367521,2.408436214,2.135416667,1.847435897,1.80952381,1.808510638,1.670731707,1.428571429,1.227272727,0.062078439,-0.001335484,-0.019651313,-0.005469955,-0.008744581,-0.003003425,-0.010030806,0.006494714,0.007387501,782.2726735,35.10197894,-177.6589955,-37.25107969,-138.9751819,-110.3205052,-190.5536,60.89118796,116.0514406,1454.669441,65.27362875,-330.3644884,-69.26997337,-258.4302852,-205.1456904,-354.3425561,113.2297642,215.8026093,0.153241846,0.006876237,-0.034802178,-0.007297231,-0.027224284,-0.02161103,-0.037328142,0.011928166,0.02273368,6.503049225,0.291803491,-1.476882974,-0.309669011,-1.155303617,-0.917096686,-1.584076093,0.506189729,0.964738072,35.3246666,1.585081194,-8.022451756,-1.682126981,-6.275627583,-4.981683752,-8.60472648,2.749630642,5.240472518,4.538461538,0.737836949,-0.015450362,0.493589744,-0.903353057,-1.469099277,-1.870479947,-0.020052597,0.520052597,0.002387632,-4.95E-05,-4.09E-04,-8.42E-05,-1.56E-04,-6.39E-05,-2.45E-04,2.32E-04,6.72E-04,30.08741052,1.300073294,-3.701229072,-0.573093534,-2.481699677,-2.347244792,-4.64764878,2.174685284,10.55013096,55.94882464,2.417541806,-6.882593508,-1.065691898,-4.614826522,-4.364801922,-8.642501367,4.043920148,19.61841903,0.005893917,2.55E-04,-7.25E-04,-1.12E-04,-4.86E-04,-4.60E-04,-9.10E-04,4.26E-04,0.002066698,0.250117278,0.010807537,-0.030768395,-0.004764139,-0.020630422,-0.019512695,-0.038636002,0.018078205,0.087703461,1.358641023,0.058706711,-0.167134412,-0.025878877,-0.112064778,-0.105993271,-0.209871378,0.098201094,0.476406593,0.174556213,0.027327294,-3.22E-04,0.007593688,-0.016131305,-0.031257431,-0.045621462,-7.16E-04,0.047277509,-0.020716077,-0.171467926,-0.035245439,-0.065400872,-0.026764026,-0.10246712,0.097148157,0.281279078,0.043209877,-0.123015873,-0.019047619,-0.082482993,-0.078014184,-0.154471545,0.072278912,0.350649351,0.043209877,-0.123015873,-0.019047619,-0.082482993,-0.078014184,-0.154471545,0.072278912,0.350649351,0.043209877,-0.123015873,-0.019047619,-0.082482993,-0.078014184,-0.154471545,0.072278912,0.350649351,0.043209877,-0.123015873,-0.019047619,-0.082482993,-0.078014184,-0.154471545,0.072278912,0.350649351,0.043209877,-0.123015873,-0.019047619,-0.082482993,-0.078014184,-0.154471545,0.072278912,0.350649351,0.156552975,-0.001844005,0.043502825,-0.092413236,-0.179067997,-0.261356851,-0.004102771,0.270844034,1.02253313,1.093343745,0.927219622,0.994248605,1.038783677,1.142398205,0.903865226,0.682113056,1.00308642,1.128472222,0.982142857,1.036352041,1.029002026,1.085220674,0.829081633,0.527597403,1.00308642,1.128472222,0.982142857,1.036352041,1.029002026,1.085220674,0.829081633,0.527597403,1.00308642,1.128472222,0.982142857,1.036352041,1.029002026,1.085220674,0.829081633,0.527597403,1.00308642,1.128472222,0.982142857,1.036352041,1.029002026,1.085220674,0.829081633,0.527597403,1.00308642,1.128472222,0.982142857,1.036352041,1.029002026,1.085220674,0.829081633,0.527597403,0.878409012,0.953144617,0.870998117,1.051965631,1.206199663,1.259559735,0.909881961,0.563366718,57.38349287,28.12705422,43.02006141,57.38349287,4.781957739,28.12705422,-2.84E-14,0.180750951,0.015062579,-2.052762189,70.19567247,5.849639373,5.101543996,57.38349287,28.12705422,43.02006141,57.38349287,4.781957739,28.12705422,-2.84E-14,0.180750951,0.015062579,-2.052762189,70.19567247,5.849639373,5.101543996,57.38349287,28.12705422,43.02006141,57.38349287,4.781957739,28.12705422,-2.84E-14,0.180750951,0.015062579,-2.052762189,70.19567247,5.849639373,5.101543996,57.38349287,28.12705422,43.02006141,57.38349287,4.781957739,28.12705422,-2.84E-14,0.180750951,0.015062579,-2.052762189,70.19567247,5.849639373,5.101543996,57.38349287,28.12705422,43.02006141,57.38349287,4.781957739,28.12705422,-2.84E-14,0.180750951,0.015062579,-2.052762189,70.19567247,5.849639373,5.101543996,57.38349287,28.12705422,43.02006141,57.38349287,4.781957739,28.12705422,-2.84E-14,0.180750951,0.015062579,-2.052762189,70.19567247,5.849639373,5.101543996,66.12889933,31.51425757,48.85718826,66.09433143,5.507860953,31.51425757,-0.207407407,0.37164097,0.030970081,-1.187792431,140.9927065,11.74939221,5.938449794,0,11.85,12.1501417,-0.207807045,0.092425217,6.669502797,9.753452348,13,27,23,20,6,4,1,0,0,7,15.304898,3.842013973,3.528702209,2.867467379,2.682680949,2.619181914,2.352576204,1.400921169,1.259727535,2.031377254,1.845215742,1.305360076,1.266418524,1.082250302,0.900762373,0.584416581,0.53931174,3.852860609,3.549156935,2.891804911,2.724278954,2.645815032,2.384465747,1.495180919,1.367616555,1.998723902,1.797932799,1.216210286,1.202688661,1.007167592,0.813584283,0.43892408,0.392725626,3.903111086,3.641090635,3.003010836,2.910181734,2.771820215,2.535142049,1.886642949,1.806729748,1.913729514,1.659784026,1.026056762,0.94750782,0.798620231,0.56711922,0.040512139,0.113486668,3.860975485,3.564339705,2.909955862,2.755149736,2.665925019,2.408535117,1.563603997,1.445495553,1.979019223,1.767826438,1.16314573,1.158684768,0.960278991,0.758662743,0.342022389,0.293304728,3.929415529,3.686855524,3.059743774,3.001173909,2.838078588,2.614115208,2.061195515,1.996754173,1.889938166,1.61751386,0.974173012,0.862824147,0.738564276,0.495415233,0.208439327,0.298384847,3.915371079,3.56053153,2.906567615,2.797226853,2.719826296,2.459140481,1.620793648,1.501979947,1.972694041,1.723721696,1.171955339,1.128935808,0.82201793,0.669193575,0.240372736,0.195321636,0,0,0,6,2,0,4,0,0,0,0,0,0.204124145,0.11785113,0,0,0,0.104243799,0.052121899,0.333333333,0,0.083333333,0,0.185395406,0,0.034020691,0,0.942809042,1.5,1.885618083,0.46545183,0.670418786,0.761517716,8.22576835,5.966326495,4.796180193,3.966326495,3.211142626,2.558078205,1.178511302,0.833333333,0.685480696,0.458948192,0.299761262,0.198316325,0.133797609,0.091359936,0.058925565,0.041666667,7.29252874,4.711160418,3.341169873,2.435555495,1.752560714,1.254916442,0.501131192,0.312476377,0.607710728,0.362396955,0.208823117,0.121777775,0.073023363,0.044818444,0.02505656,0.015623819,15.79279463,25.21485798,24.07843137,24.32,17.58988144,194.9112587,0.607415178,0.96980223,0.926093514,0.935384615,0.676533901,7.496586872,3.46129,51.825,70.38474912,101.4858646,140.7694982,11.73079152,70.38474912,5.55E-17,4.63E-18,-44.9159373,75.88583335,6.323819446,5.195076022,140,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,5,0,4,2,0,6,0,0,0,0,0,0,0,0,0,0,4,0,1,5,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.06418438,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,2.085824476,0,1.300564413,0.721143707,0,2.40214392,0,0,0,0,0,0,0,0,0,0,5.269148951,0,2.387731481,10.7189992,0,0,0,1.54337963,1.414074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.414074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0.407430556,0,0.281401998,0.344893707,0,0.316319444,0,0,0,0,0,0,0,0,0,0,1.26787037,0,2.387731481,2.076276219,0,0,0,1.54337963,1.414074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.387731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0.428945224,0,0.37625,0.37625,0,0.428945224,0,0,0,0,0,0,0,0,0,0,1.37136267,0,2.387731481,2.205509259,0,0,0,1.54337963,1.414074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.33333333,1.777777778,0.428945224,2.387731481,0.116319444,1.26787037,6.478473656,0.252592593,0.387731481,2.213461357,0.252592593,0.387731481,2.213461357,6,0.5,0,0,0.48462,0.7,0.44118,0.44118,0.7,0.04344,0.04344,0,0,0.71429,0,0,0,0.16667,0,14,1.16667,6.5,0.54167,7.5,0.625,1,0.08333,0,0,7.83591,0.65299,14.15801,6.32211,0.52684,3.41708,0.28476,5.96631,2.54923,0.21244,-0.05231,-0.00436,0.11969,0.00997,0.461538462,37,0,0,0,0,0,0,0.333333333,0.995727452,2.5804622,3.301804027,3.902174814,4.238901257,4.238901257,25.88891375,67.09201719,85.8469047,101.4565452,110.2114327,110.2114327,0.211837086,0.548983149,0.702445776,0.830172292,0.901809514,0.901809514,3.704712266,2.119977518,1.398635691,0.798264904,0.461538462,0.461538462,0.200986677,0.520863938,0.666466127,0.787650422,0.855618347,0.855618347,6.662682473,19.84806865,23.47307977,26.93395252,27.27331386,27.27331386,43.80065138,30.9227341,24.5172065,18.89188397,17.83259575,17.83259575,8.591715976,4.296875,2.25,0,8,0,2.78,1.4102,0,0,0,0,15.69030319,9.490205613,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.137,0.136,0.779,1.016,6.188,16,20,24,28,20,20,16,12,8,189,2.890371758,3.349904087,3.844814256,4.298984642,4.731252024,4.52517956,4.784884179,4.706710916,4.576642102,4.342993404,6.659454163,4.122354497,0.428571429,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.076923077,1,0.076923077,0,4,7,0.75,1,0.888888889,0.375,0.062222222,0.138888889,0.078367347,0,0,0,0,0.076923077,0.055555556,0.026785714,0.006222222,0.017361111,0.019591837,0,0,0,0,0.202439517,33.87359092,51.31509801,67.74718183,5.645598486,33.87359092,4.72E-16,3.93E-17,-42.3478579,66.34663729,5.528886441,5.033871694,0,169.949522,4.584962501,4.077537444,4.875197323,5.686975356,6.502790046,7.323170718,8.144098463,8.966866554,9.789366553,10.61277871,90.97878117,3.295836866,0,4.510859507,0,5.958424693,0,7.497207223,0,9.076466063,9.311361486,158.1095504,6.081136556,24.59443372,2.049536144,0,0,0,198,14,4.441,58,1.274606144,2.261492768,3.055867056,3.887477909,4.659155821,5.600731161,6.659245687,7.809185487,8.770684967,0,107.9630615,132.9491108,118.3903232,137.6414359,164.0139399,131.7090148,76.47148189,31.663846,8.91157725,0,362.4401254,497.3891803,497.1597042,592.5475596,716.0583235,694.432621,558.7448627,421.7138034,272.62573,0,9.368264655,16.37919662,21.73616418,27.54933071,33.06599395,39.45443901,46.1526805,53.31975034,58.9255312,0,2.592350305,3.776550656,4.035419274,4.881283834,5.912378294,6.154779543,5.572811936,4.90324145,3.89955972,0,176.7369487,329.7352128,474.0638891,610.5810439,727.8185981,894.8156198,1120.739754,1376.030711,1621.854471,0,3.156794588,4.911518915,5.724774508,7.106366261,8.711218576,9.623388789,9.660167148,9.57676678,8.770684967,0,0.531707622,0.783634483,0.848501865,1.029369239,1.246905111,1.313500947,1.21360875,1.094055396,0.898118141,0,328.3354404,196.6781791,13.8629134,106.5165825,-63.80513618,-5.782519216,221.8188579,260.4833153,19.64543262,0.755050967,0.452287603,0.031879611,0.244949033,-0.146728388,-0.013297671,142.7773305,85.52590404,6.028315936,46.31895137,-27.74579254,-2.514540178,0.10409078,0.133998315,1.832950196,0.750103801,434.8520229,0,1,0,920.4843823,30.33948553,9.727594864,1057.376761,32.51733017,10.18771031,1661.767197,40.76477888,11.84468168,2.329335053,2.329335053,1010.856251,936.4508686,198.0703017,1.079454657,5.103522549,4.727871167,4.769503151,5.122357316,9.208423228,0.79769248,4.395952743,3.407979464,5.362137136,19.99254395,11.73255307,12.61673156,14.28622266,9.584245112,11.00176983,8.322395986,4.328320164,5.523857434,3.229463923,2.99346463,1.036872072,0.154152042,0.012984172,2.03E-04,6.13E-28,3.57E-73,4.00E-140,8.67E-229,0,0,0,0,0,0,0,0,0.370199798,3.407810373,1.13341266,5.696233306,4.669868177,3.112786506,2.1445191,3.117848455,1.547749223,1.096723954,1.264317236,2.20461157,0.634869256,0.187929353,0.033557988,0.001088872,9.14E-05,1.43E-06,4.32E-30,2.51E-75,2.82E-142,6.10E-231,0,0,0,0,0,0,0,0,1.1919418,3.407822079,1.976889425,7.599207932,5.708651836,4.649126825,3.947420017,3.942332936,3.016458654,2.113321609,1.714819141,2.7003361,0.968819028,0.648363321,0.143555264,0.011322023,9.53E-04,1.49E-05,4.50E-29,2.62E-74,2.94E-141,6.36E-230,0,0,0,0,0,0,0,0,4.149499032,3.407961043,5.096289842,18.75818739,11.15766172,11.89212036,13.30395395,9.013104936,10.25989451,7.717908485,4.078860929,5.256339237,3.001405851,2.782006535,0.94191262,0.137348874,0.011568664,1.81E-04,5.46E-28,3.18E-73,3.57E-140,7.72E-229,0,0,0,0,0,0,0,0,1.756041923,3.407836887,2.561757947,9.206976376,6.541361992,5.823618676,5.385618861,4.655423542,4.161579217,2.947267553,2.076013849,3.094616914,1.256161268,0.997761877,0.247213182,0.024585154,0.002069967,3.24E-05,9.77E-29,5.69E-74,6.38E-141,1.38E-229,0,0,0,0,0,0,0,0,5.308459903,3.40805683,6.354361432,24.97059476,14.02293642,15.46176403,18.19444533,11.89792831,13.9337959,10.74463555,5.322219121,6.587383286,4.152453113,3.821481087,1.426543248,0.224805938,0.018936195,2.96E-04,8.94E-28,5.20E-73,5.84E-140,1.26E-228,0,0,0,0,0,0,0,0,2.429433565,2.926937996,3.372555209,10.56426944,7.387321981,7.335432235,7.760040677,5.742079819,5.818155732,4.202773445,2.623749444,3.636312248,1.703612154,1.535896526,0.430396236,0.048781221,0.004108273,6.43E-05,1.94E-28,1.13E-73,1.27E-140,2.74E-229,0,0,0,0,0,0,0,0,6.811183428,1.558984337,0.834293647,0.739987178,0.169372684,0.55093157,0.525974341,0.429388877,9.204461412,17.60170607,35.66513817,0.609980767,1.506294789,5.644427686,0.862639521,0.391037484,0.818257759,0.125054571,0.378352573,0.161528226,0.096469016,6.898104692,7.413613587,16.2157214,0.727386638,0.636349815,6.036386068,1.096413587,0.540354119,0.786689052,0.142889563,0.432704717,0.260607033,0.182865721,7.673153774,10.47261337,21.72203372,0.680033578,0.87617747,6.773845149,1.536686845,0.820154916,0.74187684,0.16829915,0.544905283,0.511073543,0.415244704,9.130686911,17.2252024,34.89311044,0.612815259,1.47122353,6.237972357,1.216728265,0.616959357,0.772823976,0.150740773,0.462085516,0.320774313,0.237431902,8.071659979,12.18916459,24.94349506,0.659235964,1.02029173,6.931779307,1.631002478,0.879944649,0.734086639,0.1727258,0.570622949,0.575559193,0.476620556,9.442726434,18.84052324,38.2316832,0.601129958,1.622802698,6.781528008,1.537807995,0.82026238,0.741994092,0.168257721,0.546139942,0.511729839,0.414473298,9.139598383,17.25272634,34.94658515,0.612991139,1.472343079 +UMLYSI0057,L,indene,C1C=CC2=CC=CC=C21,aromatic,C9H8,95-13-6,7219,PubChem,,467.7,0,1.8012,3.24432144,43.5888,21.174344,6,6,17,9,8,0,9,0,0,0,0,0,0,0,0,0,1306.505601,1539.497914,2070.163045,1558.722321,802.096516,118.108368,5.08032,0,0,4060.322071,5153.061948,7372.589329,6407.623526,3976.912913,1312.383247,155.4187222,0,0,121.612356,132.346216,218.627284,257.6457,205.308688,124.524864,33.59232,0,0,28.65700324,36.79735448,54.51702186,51.15220794,34.31168791,14.02341493,2.223064524,0,0,2620.490421,2492.923943,4283.205045,5466.228619,4557.806847,3042.361798,924.5882601,0,0,39.80555556,49.27777778,74.66666667,76.66666667,56.33333333,26.5,5,0,0,76.85327065,85.52766189,69.00543483,43.29784225,27.65850055,6.561576,1.016064,0,0,238.8424748,286.2812194,245.7529776,177.9895424,137.134928,72.9101804,31.08374443,0,0,7.153668,7.352567556,7.287576133,7.156825,7.079609931,6.918048,6.718464,0,0,1.685706073,2.044297471,1.817234062,1.420894665,1.183161652,0.779078607,0.444612905,0,0,154.1464954,138.4957746,142.7735015,151.8396839,157.1657534,169.0200999,184.917652,0,0,2.341503268,2.737654321,2.488888889,2.12962963,1.942528736,1.472222222,1,0,0,0.050368443,-0.001738403,-0.018052148,-0.002615117,-0.016550853,-0.00156578,0.01533808,0,0,512.7501558,26.81046566,-100.1203327,-188.5110867,-198.1460978,33.9319956,169.659978,0,0,953.4808099,49.85520574,-186.178034,-350.5444154,-368.46113,63.09799477,315.4899739,0,0,0.100444235,0.005251986,-0.019612886,-0.036928028,-0.03881546,0.006647045,0.033235225,0,0,4.262502853,0.222875966,-0.832302436,-1.567096637,-1.647192688,0.282077395,1.410386974,0,0,23.15398315,1.210665786,-4.521080043,-8.512493806,-8.947576822,1.532248885,7.661244425,0,0,3.529411765,0.040753556,-1.06497501,-0.382545175,-1.324682814,-0.094867359,1.061610919,0,0,0.00296285,-9.66E-05,-6.02E-04,-7.26E-05,-5.71E-04,-8.70E-05,0.003067616,0,0,30.16177387,1.489470314,-3.337344423,-5.236419074,-6.832624061,1.885110867,33.9319956,0,0,56.08710646,2.769733652,-6.205934465,-9.737344872,-12.70555621,3.505444154,63.09799477,0,0,0.005908484,2.92E-04,-6.54E-04,-0.001025779,-0.001338464,3.69E-04,0.006647045,0,0,0.250735462,0.012381998,-0.027743415,-0.043530462,-0.056799748,0.015670966,0.282077395,0,0,1.361999009,0.06725921,-0.150702668,-0.236458161,-0.308537132,0.085124938,1.532248885,0,0,0.207612457,0.002264086,-0.035499167,-0.010626255,-0.045678718,-0.005270409,0.212322184,0,0,-0.032596303,-0.203094438,-0.024517665,-0.19262506,-0.029359495,1.035360031,0,0,0.049382716,-0.110648148,-0.173611111,-0.226532567,0.0625,1.125,0,0,0.049382716,-0.110648148,-0.173611111,-0.226532567,0.0625,1.125,0,0,0.049382716,-0.110648148,-0.173611111,-0.226532567,0.0625,1.125,0,0,0.049382716,-0.110648148,-0.173611111,-0.226532567,0.0625,1.125,0,0,0.049382716,-0.110648148,-0.173611111,-0.226532567,0.0625,1.125,0,0,0.01090535,-0.170987654,-0.051183128,-0.220019157,-0.025385802,1.022685185,0,0,0.922345645,1.065178335,0.905478443,1.203963192,1.094809911,0.044738688,0,0,0.839506173,1.007407407,1.101851852,1.172413793,0.944444444,0,0,0,0.839506173,1.007407407,1.101851852,1.172413793,0.944444444,0,0,0,0.839506173,1.007407407,1.101851852,1.172413793,0.944444444,0,0,0,0.839506173,1.007407407,1.101851852,1.172413793,0.944444444,0,0,0,0.839506173,1.007407407,1.101851852,1.172413793,0.944444444,0,0,0,0.895473251,1.040987654,0.958436214,1.222349936,1.038888889,0,0,0,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,26.88196288,13.44098144,19.79638361,26.88196288,2.986884765,13.44098867,0,0.06857086,0.007618984,-2.411898858,81.02787287,9.003096986,3.955313885,30.317021,14.66707332,21.92343639,30.28286463,3.364762736,14.66707563,-0.102469136,0.144770163,0.016085574,-1.739347092,216.0523556,24.00581728,4.837968689,0,11.85,12.15009716,-0.197483701,0.10336398,6.851794432,8.733662621,10,18,14,11,3,4,1,0,0,7,8.745656,3.896642869,3.213856999,2.711209086,2.265275095,1.999283045,0.936349217,0.751386979,0.634275881,1.934663649,1.635236263,1.166563237,0.992187746,0.55514387,0.294610037,0.237639127,0.004773746,3.906018791,3.233726211,2.734050231,2.287507301,2.053559467,1.04484566,0.879623337,0.764597328,1.908081025,1.583761609,1.103231272,0.913134037,0.42960752,0.133317731,0.069566919,0.133169099,3.948865863,3.325185468,2.843673216,2.401360429,2.295920056,1.502669846,1.396578303,1.263883454,1.837512721,1.441000237,0.935421825,0.694878529,0.030291288,0.415822314,0.514960157,0.637614483,3.913004563,3.248580273,2.75136921,2.30466166,2.093975113,1.124382985,0.972041416,0.856620342,1.891888708,1.551742321,1.064476098,0.863838385,0.346984783,0.024461402,0.044590564,0.229106292,3.970886389,3.372202182,2.902425032,2.470703929,2.408863196,1.705744533,1.616773175,1.466689105,1.817471268,1.399189685,0.889108699,0.632767116,0.102491581,0.61276886,0.732013266,0.830489281,3.910423864,3.299254781,2.783105405,2.322194358,2.099619403,1.227102121,1.085719563,0.945399274,1.880422863,1.535027537,1.038359787,0.78198663,0.272552999,0.09656656,0.171181567,0.310357178,0,0,0,6,2,0,1,0,0,0,0,0.11785113,0.25,0.294627825,0,0,0.058925565,0.09581916,0.094604928,0.333333333,0,0.083333333,0,0.185395406,0,0.034020691,0,0.942809042,1.5,1.414213562,0.438965393,0.58115787,0.449778435,6.104448007,4.466326495,3.735520021,3.216326495,2.686765231,1.779039102,0.936856351,0.560395406,0.678272001,0.44663265,0.287347694,0.189195676,0.127941201,0.088951955,0.06245709,0.043107339,5.171208396,3.211160418,2.305306794,1.690268696,1.195541839,0.647631238,0.291807263,0.146769731,0.574578711,0.321116042,0.177331292,0.09942757,0.056930564,0.032381562,0.019453818,0.011289979,11.16731122,16.55134741,15.90196078,16.04,12.19421796,125.8264934,0.65690066,0.973608671,0.935409458,0.943529412,0.717306939,7.401558436,2.07319,38.118,55.16228989,65.35541437,110.3245798,12.25828664,55.16228989,5.55E-17,6.17E-18,-33.68695298,2000024.663,222224.9625,13.05780306,70,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,4,0,0,1,1,6,0,0,0,0,0,0,0,0,0,0,1,0,2,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.71212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.809722222,1.730972222,0,0,0.449583333,0.422222222,2.540694444,0,0,0,0,0,0,0,0,0,0,1.121203704,0,4.375,8.494537037,0,0,0,0,2.842592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.386574074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.3875,0.422222222,0,0,0.449583333,0.422222222,0.3875,0,0,0,0,0,0,0,0,0,0,1.121203704,0,2.175925926,2.07787037,0,0,0,0,1.386574074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.199074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.44,0,0,0.449583333,0.422222222,0.44,0,0,0,0,0,0,0,0,0,0,1.121203704,0,2.199074074,2.175925926,0,0,0,0,1.456018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.83333333,1.87037037,0.449583333,2.199074074,0.1875,1.121203704,4.873805278,0.378796296,0.199074074,1.739074074,0.378796296,0.199074074,1.739074074,4.5,0.5,0,0,0.51176,0.7,0.444,0.444,0.7,0.06776,0.06776,0,0,0.71429,0,0,0,0.22222,0,12.5,1.38889,5,0.55556,7.5,0.83333,2.5,0.27778,0,0,3.96363,0.4404,9.28813,5.3245,0.59161,1.90401,0.21156,4.46631,2.56231,0.2847,-0.05231,-0.00581,0.11969,0.0133,0.529411765,28,0,0,0,0,0,0,0.111111111,0.997502546,2.374556048,3.051601637,3.734521665,3.969815782,3.969815782,16.95754329,40.36745282,51.87722783,63.4868683,67.4868683,67.4868683,0.244039539,0.580936425,0.746575995,0.91365275,0.971217583,0.971217583,3.089960295,1.712906793,1.035861204,0.352941176,0.117647059,0.117647059,0.223683786,0.532479529,0.684302821,0.83744342,0.890206672,0.890206672,6.344815581,18.67288768,24.2756135,27.55027151,27.78740681,27.78740681,30.32476541,25.25701081,19.49398732,15.64396901,15.15280128,15.15280128,5.76,2.319526627,0.996539792,0,8,0,2.45,0.9875,0,0,0,0,9.480406828,8.052870517,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.137,0.136,0.779,1.016,4.691,13,17,21,20,15,13,11,0,0,129,2.708050201,3.238678452,3.801091445,4.342180726,4.710093106,4.627420795,4.801199445,4.906431517,0,0,6.452443198,4.908914729,0.25,2,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,3,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,4,0.333333333,1,0.888888889,0.319444444,0.097222222,0,0,0,0,0,0,0.1,0.068376068,0.035493827,0.024305556,0,0,0,0,0,0,0.228175451,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,0,118.0615681,4.169925001,3.850147602,4.672828834,5.509388337,6.34738921,7.189167738,8.030409562,8.873047799,9.715168044,10.55791989,83.74546702,3.044522438,0,4.290459441,2.397895273,5.752572639,4.59511985,7.311218384,6.580639137,8.914760527,9.22818029,116.0626003,6.82721178,18.55905426,2.06211714,0,0,0,79,9,2.923,46,1.266032656,2.24068407,3.145944771,4.196552669,5.269082866,6.298029617,0,0,0,0,117.7980375,163.4385491,145.7124652,121.5203329,35.00702698,6.399201165,0,0,0,0,384.6780348,572.0748998,588.506467,595.3132706,387.4397065,195.766343,0,0,0,0,9.339044419,16.3625057,22.58546616,29.77202508,36.46737134,42.31308526,0,0,0,0,2.708797283,4.191100429,4.648728755,5.099125382,4.131177738,2.800185243,0,0,0,0,173.4441615,317.7360472,472.525205,654.8379348,889.3380668,1164.616849,0,0,0,0,3.569549712,5.693123284,6.903241497,8.328535063,7.794921594,6.298029617,0,0,0,0,0.553903369,0.863702879,0.971889141,1.081327551,0.907445661,0.644918233,0,0,0,0,228.3880263,100.1953686,12.68954492,187.6226546,-82.31132491,-10.6417581,40.76537172,182.5066935,23.33130301,0.548995583,0.240848068,0.030502931,0.451004417,-0.197858682,-0.025580492,95.01185835,41.68234353,5.278986223,78.0530283,-34.24239033,-4.427085032,0.142127198,0.180347364,4.103108866,5.966608809,416.0106809,0,1,0,741.8708376,27.23730599,9.052657716,820.641,28.64683229,9.362339889,1220.28383,34.93256117,10.68612587,1.319167367,1.219497294,442.4080688,319.0929384,126.6448893,1.386455216,3.493295869,2.51958796,3.762660785,3.873610987,6.748577395,0.742192858,2.721209682,3.822859818,3.558054949,8.207652392,6.908287372,4.287311887,1.942166748,3.418199767,2.166748297,1.112986013,0.734252855,0.007638464,0.002443511,3.16E-25,9.77E-69,6.05E-134,7.25E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0.228422913,3.822817043,0.311298794,2.872405008,0.56381672,0.955912127,0.275845259,0.704820248,0.042001668,0.026587266,0.005209767,5.38E-05,1.72E-05,2.23E-27,6.88E-71,4.26E-136,5.11E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0.737253837,3.822820072,0.969150423,3.241493333,1.793086738,1.635920847,0.517984739,1.252544986,0.227728075,0.129855179,0.053988569,5.61E-04,1.79E-04,2.32E-26,7.17E-70,4.44E-135,5.32E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,2.568603062,3.822855182,3.357564297,7.626338118,6.496615576,4.083365629,1.805489325,3.249918658,1.948945835,1.004559895,0.65423249,0.006805734,0.002177124,2.82E-25,8.71E-69,5.39E-134,6.46E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,1.086550314,3.822823844,1.422194071,3.70862878,2.656471047,2.10272581,0.713301832,1.63036212,0.428853731,0.23592727,0.117175982,0.001217742,3.90E-04,5.04E-26,1.56E-69,9.64E-135,1.16E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,3.286243306,3.822879273,4.302341977,10.64918369,8.458941635,5.042433482,2.487582839,4.043732798,3.072780193,1.562033373,1.07071365,0.011139982,0.003563631,4.61E-25,1.43E-68,8.82E-134,1.06E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,1.47604419,3.490189992,1.96740902,4.411232111,3.558754243,2.555346474,0.94267032,2.086163511,0.717723362,0.382161119,0.210032,0.002183488,6.98E-04,9.03E-26,2.79E-69,1.73E-134,2.07E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,4.01189037,1.980175895,0.097163904,0.658850176,0.325193143,0.564901957,0.506910216,0.117660855,6.089230169,8.526461156,15.38758553,0.488275264,1.189473028,2.739523755,1.081213652,0.014334839,0.714334328,0.281927845,0.263285052,0.152397061,0.002560983,3.835072246,3.016780139,6.894312329,0.571501492,0.418243096,3.133964941,1.361477995,0.040072646,0.690983172,0.300181527,0.344473216,0.241235978,0.020013249,4.535515581,4.446968594,9.153467113,0.536474757,0.605722443,3.96624416,1.948149272,0.094200941,0.660095176,0.324227124,0.552084633,0.490843812,0.110594252,6.008594373,8.2839771,15.02044667,0.490142764,1.153522696,3.349105361,1.513678809,0.054085508,0.681145847,0.307854165,0.39340869,0.297783264,0.036457221,4.916869677,5.332475962,10.52353049,0.521718771,0.727649175,4.161844459,2.085295,0.106894106,0.65499252,0.328184448,0.608058997,0.561398877,0.14240645,6.354033565,9.346455827,16.62818843,0.482488781,1.311864324,3.970829382,1.948192822,0.094087592,0.660362028,0.323990895,0.55331789,0.491115645,0.110328261,6.013109796,8.292847845,15.03381373,0.490543043,1.154761796 +UMLYSI0058,L,"1,2-dihydronaphthalene",C1CC2=CC=CC=C2C=C1,aromatic,C10H10,447-53-0,9938,PubChem,,466.1,0,1.798,3.232804,48.1514,24.26793,6,6,20,10,10,0,10,0,0,0,0,0,0,0,0,0,1452.80185,1707.976211,2263.871582,2044.007292,1177.406502,482.32733,69.680016,3.048192,0,4546.006462,5806.052083,8286.136441,8261.455675,5689.27052,2941.087982,853.4367817,93.25123329,0,142.5898,154.121996,261.356792,335.611632,283.650072,202.46708,96.054336,20.155392,0,32.33512905,41.8133431,62.20471201,65.7515368,48.57352389,27.61631951,9.569237694,1.333838715,0,3117.120081,2925.963394,5207.407244,7198.772486,6253.088698,4769.438752,2429.871607,554.7529561,0,44.05555556,54.52777778,83.83333333,95.66666667,76.33333333,47.5,18.5,3,0,72.6400925,81.33220052,62.88532172,43.48951685,29.43516255,16.6319769,4.977144,1.016064,0,227.3003231,276.4786706,230.1704567,175.7756527,142.231763,101.416827,60.95977012,31.08374443,0,7.12949,7.339142667,7.259910889,7.140673021,7.0912518,6.981623448,6.861024,6.718464,0,1.616756452,1.991111576,1.727908667,1.398968868,1.214338097,0.95228688,0.683516978,0.444612905,0,155.8560041,139.3315902,144.6502012,153.165372,156.3272174,164.4634052,173.5622576,184.917652,0,2.202777778,2.596560847,2.328703704,2.035460993,1.908333333,1.637931034,1.321428571,1,0,0.054140335,-9.40E-04,-0.018391406,-0.003323062,-0.016880805,-0.003109255,0.008202058,0.007371897,0,605.330045,30.26650225,-121.066009,-90.79950675,-302.6650225,-30.26650225,121.066009,90.79950675,0,1125.637067,56.28185336,-225.1274134,-168.8455601,-562.8185336,-56.28185336,225.1274134,168.8455601,0,0.11858,0.005929,-0.023716,-0.017787,-0.05929,-0.005929,0.023716,0.017787,0,5.032121424,0.251606071,-1.006424285,-0.754818214,-2.516060712,-0.251606071,1.006424285,0.754818214,0,27.33456344,1.366728172,-5.466912688,-4.100184516,-13.66728172,-1.366728172,5.466912688,4.100184516,0,3.916666667,0.340277778,-0.694444444,-0.3125,-1.819444444,-0.548611111,0.555555556,0.520833333,0,0.002707017,-4.47E-05,-5.11E-04,-7.07E-05,-4.22E-04,-1.07E-04,5.86E-04,0.002457299,0,30.26650225,1.441262012,-3.362944694,-1.931904399,-7.566625562,-1.043672491,8.647572071,30.26650225,0,56.28185336,2.680088255,-6.253539262,-3.592458725,-14.07046334,-1.940753564,16.08052953,56.28185336,0,0.005929,2.82E-04,-6.59E-04,-3.78E-04,-0.00148225,-2.04E-04,0.001694,0.005929,0,0.251606071,0.011981241,-0.02795623,-0.016059962,-0.062901518,-0.008676071,0.071887449,0.251606071,0,1.366728172,0.065082294,-0.151858686,-0.087237968,-0.341682043,-0.047128558,0.390493763,1.366728172,0,0.195833333,0.016203704,-0.019290123,-0.006648936,-0.045486111,-0.018917625,0.03968254,0.173611111,0,-0.016528402,-0.188721546,-0.026118581,-0.1558986,-0.039606581,0.216423234,0.907751659,0,0.047619048,-0.111111111,-0.063829787,-0.25,-0.034482759,0.285714286,1,0,0.047619048,-0.111111111,-0.063829787,-0.25,-0.034482759,0.285714286,1,0,0.047619048,-0.111111111,-0.063829787,-0.25,-0.034482759,0.285714286,1,0,0.047619048,-0.111111111,-0.063829787,-0.25,-0.034482759,0.285714286,1,0,0.047619048,-0.111111111,-0.063829787,-0.25,-0.034482759,0.285714286,1,0,0.082742317,-0.098502758,-0.033952014,-0.232269504,-0.096600636,0.202634245,0.886524823,0,0.943701569,1.065452111,0.915613843,1.12519207,1.097020798,0.831145419,0.111606212,0,0.904761905,1.055555556,1.010638298,1.1875,0.982758621,0.678571429,0,0,0.904761905,1.055555556,1.010638298,1.1875,0.982758621,0.678571429,0,0,0.904761905,1.055555556,1.010638298,1.1875,0.982758621,0.678571429,0,0,0.904761905,1.055555556,1.010638298,1.1875,0.982758621,0.678571429,0,0,0.904761905,1.055555556,1.010638298,1.1875,0.982758621,0.678571429,0,0,0.8790949,1.006895193,0.957597706,1.21108156,1.08730741,0.736322188,0,0,36.07691775,17.55520125,25.96536744,36.07691775,3.607691775,17.5552014,3.55E-15,0.147185622,0.014718562,-1.916060756,60.43237213,6.043237213,4.101524924,36.07691775,17.55520125,25.96536744,36.07691775,3.607691775,17.5552014,3.55E-15,0.147185622,0.014718562,-1.916060756,60.43237213,6.043237213,4.101524924,36.07691775,17.55520125,25.96536744,36.07691775,3.607691775,17.5552014,3.55E-15,0.147185622,0.014718562,-1.916060756,60.43237213,6.043237213,4.101524924,36.07691775,17.55520125,25.96536744,36.07691775,3.607691775,17.5552014,3.55E-15,0.147185622,0.014718562,-1.916060756,60.43237213,6.043237213,4.101524924,36.07691775,17.55520125,25.96536744,36.07691775,3.607691775,17.5552014,3.55E-15,0.147185622,0.014718562,-1.916060756,60.43237213,6.043237213,4.101524924,36.07691775,17.55520125,25.96536744,36.07691775,3.607691775,17.5552014,3.55E-15,0.147185622,0.014718562,-1.916060756,60.43237213,6.043237213,4.101524924,43.59670041,19.92441558,30.30225524,43.56781152,4.356781152,19.9244156,-0.144444444,0.255585238,0.025558524,-1.364199312,51.42543146,5.142543146,3.940132826,0,11.8,12.20008287,-0.271080279,0.129789861,6.935474269,9.096392264,11,21,17,14,4,4,1,0,0,7,10.93207,3.875762452,3.286973396,2.854577415,2.481326762,2.341375968,1.400537415,0.909077765,0.748421145,2.045672117,1.632019489,1.274151275,0.940799622,0.926472943,0.539764601,0.292696535,0.238247898,3.885777363,3.308247249,2.879131912,2.504033471,2.379314986,1.491672861,1.021790289,0.875579055,2.017247571,1.577958651,1.206675205,0.850974649,0.846831351,0.403312335,0.130867449,0.070339177,3.931803542,3.405397567,2.994315449,2.615855154,2.552481277,1.872597412,1.491492632,1.393913364,1.941441524,1.425483015,1.018637844,0.640666659,0.58799549,0.056565135,0.422108636,0.513052583,3.893252704,3.32411482,2.897619755,2.521378656,2.407653713,1.558064661,1.104035328,0.967883069,1.999901293,1.544071748,1.16451853,0.798573472,0.793605599,0.311584076,0.021545873,0.043677664,3.955616403,3.454785315,3.054360893,2.677896804,2.639498333,2.042065496,1.697602375,1.614859873,1.919801878,1.380231006,0.964057171,0.585587721,0.507785795,0.220004422,0.621981263,0.729299082,3.906129123,3.368420529,2.910666251,2.528947517,2.452758235,1.60841979,1.217453767,1.093997633,1.997765186,1.504808887,1.121659091,0.775065551,0.698100984,0.22271967,0.111931678,0.182196934,0,0,0,6,2,0,2,0,0,0,0,0,0.166666667,0.23570226,0,0,0,0.069444444,0.083791885,0.333333333,0,0.083333333,0,0.185395406,0,0.034020691,0,0.942809042,1.5,1.885618083,0.452208611,0.619387749,0.668714962,6.811554788,4.966326495,4.089073412,3.466326495,2.857589235,2.316496581,1.140119483,0.704124145,0.681155479,0.451484227,0.292076672,0.192573694,0.12989042,0.089096022,0.063339971,0.044007759,5.878315178,3.711160418,2.639857784,1.932846164,1.3735965,0.958764477,0.403685745,0.213517183,0.587831518,0.33737822,0.18856127,0.107380342,0.062436205,0.036875557,0.022426986,0.013344824,12.70913902,19.43918427,18.62745098,18.8,13.99277246,148.8547485,0.635456951,0.971959213,0.931372549,0.94,0.699638623,7.442737425,2.46329,42.735,69.06175437,80.55467971,138.1235087,13.81235087,69.06175437,1.11E-16,1.11E-17,-36.73680057,35.25843786,3.525843786,3.562704872,90,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,4,0,2,1,1,6,0,0,0,0,0,0,0,0,0,0,2,0,2,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.91300926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.766319444,1.688402778,0,0.778958333,0.37625,0.406597222,2.454722222,0,0,0,0,0,0,0,0,0,0,2.420324074,0,4.445601852,8.579675926,0,0,0,0,2.887731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.396990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0.406597222,0,0.37625,0.37625,0.406597222,0.359722222,0,0,0,0,0,0,0,0,0,0,1.20537037,0,2.207175926,2.091759259,0,0,0,0,1.396990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.238425926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0.433055556,0,0.402708333,0.37625,0.406597222,0.433055556,0,0,0,0,0,0,0,0,0,0,1.214953704,0,2.238425926,2.207175926,0,0,0,0,1.490740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.33333333,1.833333333,0.433055556,2.238425926,0.159722222,1.20537037,5.55423412,0.29462963,0.238425926,2.050555556,0.29462963,0.238425926,2.050555556,5,0.5,0,0,0.5,0.7,0.44286,0.44286,0.7,0.05714,0.05714,0,0,0.71429,0,0,0,0.2,0,13,1.3,5.5,0.55,7.5,0.75,2,0.2,0,0,5.19566,0.51957,10.92696,5.73131,0.57313,2.40401,0.2404,4.96631,2.56231,0.25623,-0.05231,-0.00523,0.11969,0.01197,0.5,31,0,0,0,0,0,0,0.2,1,2.465957321,3.141446071,3.921928095,4.121928095,4.121928095,20,49.31914642,62.82892142,78.4385619,82.4385619,82.4385619,0.231378213,0.570568799,0.726862179,0.907448715,0.953724357,0.953724357,3.321928095,1.855970774,1.180482024,0.4,0.2,0.2,0.215338279,0.531015006,0.676473591,0.844541246,0.887608902,0.887608902,6.503912516,18.75897096,24.7212879,27.70631222,27.90787722,27.90787722,35,27.86012954,20.32573688,16.05551957,15.59113395,15.59113395,6.694214876,2.93877551,1.382716049,0,8,0,2.56,1.1284,0,0,0,0,11.67863166,8.596559455,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.137,0.136,0.779,1.016,5.19,14,18,22,26,18,16,14,12,0,161,2.772588722,3.277144733,3.823191792,4.329087249,4.804533209,4.663439094,4.828563706,4.918839764,5.012924339,0,6.692587648,5.002523292,0.4,2,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,3,0,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,5,0.666666667,1,0.888888889,0.25,0.284444444,0,0,0,0,0,0,0.090909091,0.063492063,0.020833333,0.047407407,0,0,0,0,0,0,0.222641895,22.1589889,32.1589889,44.3179778,4.43179778,22.1589889,2.78E-16,2.78E-17,-35.82050984,5000017.121,500001.7121,15.42495189,0,135.3575528,4.321928095,3.931825633,4.744932128,5.572154032,6.401917197,7.23489842,8.068089626,8.902047346,9.735956081,10.57005972,86.16188019,3.135494216,0,4.369447852,0,5.84932478,0,7.43543802,0,9.066816362,9.288504393,130.0782503,6.503912516,20.65842448,2.065842448,0,0,0,109,12,3.303,50,1.249369253,2.191350139,3.010602877,4.014593304,5.020659369,5.932653854,6.855703353,0,0,0,110.6490394,148.9431614,139.7570404,126.2654613,83.71173049,29.33784017,6.965833371,0,0,0,366.5341191,531.610028,557.4148475,595.543127,513.5262883,360.2214247,213.1009309,0,0,0,9.198210208,15.95220423,21.57384248,28.52983292,35.07733483,40.69724838,46.05979617,0,0,0,2.60217147,3.938639696,4.393180411,5.029178335,4.819071759,4.043620302,3.048134182,0,0,0,172.2766434,314.145617,455.4676365,623.0946201,823.6951781,1030.228997,1267.740567,0,0,0,3.347178071,5.250473155,6.331050643,7.840355806,8.272524677,7.819373047,6.855703353,0,0,0,0.532950919,0.813483073,0.918388063,1.063941855,1.038657136,0.896696174,0.702024023,0,0,0,249.2712399,122.7877292,12.4412059,134.6316769,-66.31779058,-7.321560095,114.639563,189.1055198,19.76276599,0.649308012,0.319840574,0.032407167,0.350691988,-0.172746253,-0.019071384,95.69595607,47.13856738,4.776215233,51.68549345,-25.45959324,-2.810768276,0.126580817,0.168774436,2.797426712,3.497793017,383.9029168,0,1,0,833.7395622,28.87454869,9.411889144,931.8837968,30.5267718,9.76758622,1417.020722,37.6433357,11.23204239,1.361790264,1.331746315,564.9448483,408.4451161,163.1588361,1.383159759,3.462545221,2.503358849,4.02385771,3.864294517,7.141487852,0.84807028,3.279007852,3.088311546,10.85159116,10.99961175,5.180326849,8.622779929,8.166494524,5.590736893,3.399875808,3.406976624,3.618750891,0.215951627,0.135832596,2.62E-06,9.79E-33,7.06E-81,9.81E-151,2.63E-242,0,0,0,0,0,0,0,0,0,0,0,0,0.275232358,3.088226662,0.770125974,5.925223873,0.461402511,0.969434209,0.841578857,0.250724856,1.770693904,0.10373878,0.212124837,0.001520965,9.57E-04,1.84E-08,6.89E-35,4.97E-83,6.91E-153,1.85E-244,0,0,0,0,0,0,0,0,0,0,0,0,0.888366975,3.088232584,2.578624172,6.277779353,1.424623709,2.531645231,1.965175523,0.949267022,1.955825241,0.454928423,0.745104133,0.015849629,0.009969344,1.92E-07,7.18E-34,5.18E-82,7.20E-152,1.93E-243,0,0,0,0,0,0,0,0,0,0,0,0,3.095118869,3.088302315,10.14620152,10.44725536,4.891433485,8.154247587,7.586617586,5.125336724,3.247986351,3.090462732,3.352753,0.192409012,0.121024397,2.33E-06,8.72E-33,6.29E-81,8.74E-151,2.34E-242,0,0,0,0,0,0,0,0,0,0,0,0,1.309264667,3.088240035,3.894136817,6.722664332,2.085848387,3.604054124,2.846817655,1.545029313,2.126683979,0.791935756,1.159193389,0.034427511,0.021654747,4.17E-07,1.56E-33,1.12E-81,1.56E-151,4.20E-243,0,0,0,0,0,0,0,0,0,0,0,0,3.959865988,3.088350306,13.56348685,13.31917788,6.249973706,10.3575443,10.46277039,7.471147484,4.021468904,4.708655129,4.668847748,0.314945151,0.198099075,3.82E-06,1.43E-32,1.03E-80,1.43E-150,3.84E-242,0,0,0,0,0,0,0,0,0,0,0,0,1.785210404,3.042119081,5.120077463,7.527463935,2.928701436,4.709505943,3.979244373,2.285512641,2.497615873,1.321484672,1.655321314,0.064250073,0.040413004,7.79E-07,2.91E-33,2.10E-81,2.92E-151,7.83E-243,0,0,0,0,0,0,0,0,0,0,0,0,4.346098041,2.162217123,0.165174861,0.651248151,0.324000952,0.552148918,0.524872448,0.199992441,6.673490025,10.47221765,18.69789014,0.476872227,1.277013808,3.140851691,1.237695081,0.025579003,0.713161216,0.281030821,0.287940426,0.173538408,0.004796161,4.404125775,3.999415548,8.502977566,0.569741823,0.466274995,3.526779148,1.535891279,0.070419952,0.687067417,0.299213761,0.363050666,0.26678664,0.036351104,5.133090379,5.773262344,11.28779995,0.530601126,0.66618841,4.304786887,2.130827166,0.16040966,0.652633628,0.323047226,0.541642186,0.509976681,0.188619565,6.596023714,10.20509151,18.27251403,0.478950442,1.240238432,3.732503444,1.693956353,0.094264559,0.676089441,0.306835887,0.406727424,0.324058531,0.06513627,5.520724356,6.834220761,12.95095145,0.514134162,0.795922225,4.480853527,2.264484805,0.180710564,0.64695667,0.326951894,0.587143257,0.574811396,0.239382672,6.926048896,11.36577862,20.12546593,0.470435004,1.401337325,4.310598615,2.132745979,0.160345236,0.652756069,0.322962773,0.543025713,0.511211509,0.188468074,6.603689831,10.22657148,18.3043811,0.479134104,1.242705297 +UMLYSI0059,L,naphthalene,C1=CC=C2C=CC=CC2=C1,aromatic,C10H8,91-20-3,931,PubChem,,466.1,0,1.9478,3.79392484,49.1528,22.934344,10,11,18,10,8,0,10,0,0,0,0,0,0,0,0,0,1450.769722,1683.762035,2213.411102,1979.407596,1113.82287,441.94181,54.524736,2.032128,0,4483.838973,5576.57885,7765.022486,7563.437615,5022.336204,2472.543155,645.4489321,62.16748886,0,129.152872,139.886732,219.449336,273.149616,227.90652,154.240328,68.781312,13.436928,0,31.44590324,39.58625448,56.86130896,58.40536363,41.67196363,22.49723496,7.121854669,0.88922581,0,2747.284777,2619.718299,4225.081749,5693.489139,4932.723003,3570.400501,1721.996103,369.835304,0,45.55555556,56.11111111,81.33333333,88.66666667,68.66666667,40,14,2,0,80.59831789,88.61905447,73.78037007,52.08967358,34.80696469,20.08826409,5.4524736,1.016064,0,249.1021652,293.50415,258.8340829,199.037832,156.9480064,112.3883252,64.54489321,31.08374443,0,7.175159556,7.362459579,7.314977867,7.188147789,7.12207875,7.010924,6.8781312,6.718464,0,1.746994624,2.083487078,1.895376965,1.536983253,1.302248863,1.022601589,0.712185467,0.444612905,0,152.6269321,137.8799105,140.8360583,149.8286616,154.1475938,162.2909319,172.1996103,184.917652,0,2.530864198,2.953216374,2.711111111,2.333333333,2.145833333,1.818181818,1.4,1,0,0.058103099,-0.003705496,-0.020886301,0.001347802,-0.016093198,-0.005274927,0.007927949,0.007632621,0,538.0711511,23.91427338,-143.4856403,-86.68924101,-230.1748813,-11.95713669,104.624946,74.73210432,0,1000.566282,44.46961253,-266.8176752,-161.2023454,-428.0200206,-22.23480627,194.5545548,138.9675392,0,0.105404444,0.004684642,-0.028107852,-0.016981827,-0.045089679,-0.002342321,0.020495309,0.014639506,0,4.472996822,0.198799859,-1.192799152,-0.720649488,-1.91344864,-0.099399929,0.869749382,0.621249559,0,24.29738973,1.079883988,-6.479303927,-3.914579456,-10.39388338,-0.539941994,4.724492447,3.374637462,0,4.049382716,-0.299039781,-1.341563786,0.14266118,-1.297668038,-0.381344307,0.614540466,0.537722908,0,0.00322795,-1.95E-04,-6.96E-04,3.55E-05,-5.03E-04,-2.40E-04,7.93E-04,0.003816311,0,29.89284173,1.258645968,-4.782854677,-2.281295816,-7.192965041,-0.543506213,10.4624946,37.36605216,0,55.58701566,2.340505923,-8.893922506,-4.242166985,-13.37562564,-1.010673012,19.45545548,69.48376958,0,0.005855802,2.47E-04,-9.37E-04,-4.47E-04,-0.001409052,-1.06E-04,0.002049531,0.007319753,0,0.248499823,0.01046315,-0.039759972,-0.01896446,-0.05979527,-0.004518179,0.086974938,0.310624779,0,1.349854985,0.056835999,-0.215976798,-0.103015249,-0.324808856,-0.024542818,0.472449245,1.687318731,0,0.224965706,-0.015738936,-0.044718793,0.003754242,-0.040552126,-0.017333832,0.061454047,0.268861454,0,-0.060417946,-0.215681788,0.010987925,-0.155799332,-0.07427916,0.245603226,1.182270669,0,0.042105263,-0.16,-0.076315789,-0.240625,-0.018181818,0.35,1.25,0,0.042105263,-0.16,-0.076315789,-0.240625,-0.018181818,0.35,1.25,0,0.042105263,-0.16,-0.076315789,-0.240625,-0.018181818,0.35,1.25,0,0.042105263,-0.16,-0.076315789,-0.240625,-0.018181818,0.35,1.25,0,0.042105263,-0.16,-0.076315789,-0.240625,-0.018181818,0.35,1.25,0,-0.069961489,-0.198780488,0.016688062,-0.180259146,-0.077050998,0.273170732,1.195121951,0,0.92454762,1.042678671,0.876624209,1.136708667,1.164630694,0.884496253,0,0,0.805263158,1.02,1.006578947,1.1953125,1.043181818,0.765,0,0,0.805263158,1.02,1.006578947,1.1953125,1.043181818,0.765,0,0,0.805263158,1.02,1.006578947,1.1953125,1.043181818,0.765,0,0,0.805263158,1.02,1.006578947,1.1953125,1.043181818,0.765,0,0,0.805263158,1.02,1.006578947,1.1953125,1.043181818,0.765,0,0,0.932926829,1.026219512,0.883825417,1.166158537,1.144955654,0.839634146,0,0,29.54531853,14.77265927,21.43932593,29.54531853,2.954531853,14.77266154,-1.24E-14,1.39E-16,1.39E-17,-36.51365702,5000017.121,500001.7121,15.42495189,29.54531853,14.77265927,21.43932593,29.54531853,2.954531853,14.77266154,-1.24E-14,1.39E-16,1.39E-17,-36.51365702,5000017.121,500001.7121,15.42495189,29.54531853,14.77265927,21.43932593,29.54531853,2.954531853,14.77266154,-1.24E-14,1.39E-16,1.39E-17,-36.51365702,5000017.121,500001.7121,15.42495189,29.54531853,14.77265927,21.43932593,29.54531853,2.954531853,14.77266154,-1.24E-14,1.39E-16,1.39E-17,-36.51365702,5000017.121,500001.7121,15.42495189,29.54531853,14.77265927,21.43932593,29.54531853,2.954531853,14.77266154,-1.24E-14,1.39E-16,1.39E-17,-36.51365702,5000017.121,500001.7121,15.42495189,29.54531853,14.77265927,21.43932593,29.54531853,2.954531853,14.77266154,-1.24E-14,1.39E-16,1.39E-17,-36.51365702,5000017.121,500001.7121,15.42495189,31.72127567,15.53500242,22.71232825,31.69994234,3.169994234,15.53500349,-0.053333333,0.023860644,0.002386064,-3.735524879,173.1286975,17.31286975,5.154035234,0,11.85,12.1501118,-0.1870418,0.115228085,6.89796875,8.88276888,11,19,14,8,0,5,0,0,0,11,8.745656,3.975199043,3.293268817,2.873955553,2.492115958,2.224169807,1.166655372,0.812014368,0.684205018,2.105400332,1.581960777,1.209898513,0.873657424,0.839666259,0.383312778,0.251080249,0.227666917,3.983038392,3.310654292,2.89227622,2.51145985,2.259742497,1.257086905,0.931087541,0.824552762,2.083921908,1.53531769,1.152086069,0.804967144,0.743106961,0.231894637,0.085365173,0.05806156,4.018735748,3.390424932,2.98001206,2.606912126,2.429892988,1.653114109,1.424492364,1.369277282,2.026150334,1.407037685,0.998990591,0.628125582,0.46612964,0.270959397,0.485511265,0.535172324,3.988871895,3.323634333,2.906147588,2.526246395,2.28674448,1.324217248,1.017910967,0.92401932,2.070774007,1.506420904,1.11674025,0.763385179,0.681873961,0.130533276,0.026882614,0.057321742,4.037022391,3.431373898,3.027189272,2.65997655,2.519318628,1.835582011,1.6387908,1.595644291,2.009475478,1.369678298,0.95663812,0.581048914,0.384871146,0.445260153,0.694083713,0.757949754,3.970963936,3.367060991,2.920789463,2.512916929,2.340027449,1.404551053,1.104541332,1.024435524,2.084901446,1.454390215,1.085977134,0.753066068,0.609760873,0.031369353,0.131569254,0.166341976,0,0,0,8,2,0,0,0,0,0,0,0,0.166666667,0.23570226,0,0,0,0.055555556,0.06415003,0.333333333,0,0.083333333,0,0.166666667,0,0.027777778,0,0.942809042,1.5,1.885618083,0.384900179,0.5,0.513200239,6.811554788,4.966326495,4.089073412,3.466326495,2.857589235,2.316496581,1.140119483,0.704124145,0.681155479,0.451484227,0.292076672,0.192573694,0.12989042,0.089096022,0.063339971,0.044007759,5.618802154,3.404700538,2.347150628,1.658689248,1.132905825,0.75660012,0.303561201,0.153877798,0.561880215,0.309518231,0.167653616,0.092149403,0.051495719,0.029100005,0.016864511,0.009617362,12.16731122,17.55134741,16.90196078,17.04,13.19421796,132.569188,0.675961734,0.975074856,0.938997821,0.946666667,0.733012109,7.36495489,2.8398,43.948,69.06175437,80.55467971,138.1235087,13.81235087,69.06175437,1.05E-15,1.05E-16,-34.48550877,35.25843786,3.525843786,3.562704872,90,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.33333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.6,0,0,0,0,3.6,0,0,0,0,0,0,0,0,0,0,0,0,0,16.71296296,0,0,0,0,0,2.62037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.310185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,2.05787037,0,0,0,0,0,1.310185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,0,1.310185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.33333333,1.933333333,0.45,2.12037037,0.25,1.310185185,5.87237963,0.356481481,0.12037037,1.425925926,0.356481481,0.12037037,1.425925926,5,0.5,0,0,0.52222,0.7,0.44286,0.44286,0.7,0.07937,0.07937,0,0,0.71429,0,0,0,0.2,0,15.5,1.55,5.5,0.55,10,1,4.5,0.45,0,0,3.84421,0.38442,10.92696,7.08275,0.70828,1.76011,0.17601,4.96631,3.20621,0.32062,-0.05231,-0.00523,0.11969,0.01197,0.555555556,31,0,0,0,0,0,0,0,0.99107606,1.392147224,1.836591668,2.503258335,2.725480557,2.947702779,17.83936908,25.05865003,33.05865003,45.05865003,49.05865003,53.05865003,0.237672394,0.33385426,0.440437578,0.600312556,0.653604215,0.706895874,3.178848942,2.777777778,2.333333333,1.666666667,1.444444444,1.222222222,0.214764545,0.301676004,0.397986381,0.542451946,0.590607134,0.638762323,6.177348133,10.9902021,16.32353543,19.43812434,19.66208545,22.32875212,32.42629689,33.34470004,31.53216669,28.11027779,27.59031113,24.47051112,6.694214876,2.93877551,1.382716049,0,10,0,2.56,1.0854,0,0,0,0,11.67863166,8.596559455,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.197,0.196,0.919,1.392,5.37,14,18,22,26,18,16,14,12,0,161,2.862200881,3.481240089,4.123093976,4.721841493,5.290474189,5.328027856,5.614495784,5.88556135,6.136257968,0,7.454195362,10.72107919,0.4,2,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,3,0,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,5,0.666666667,1,0.888888889,0.25,0.284444444,0,0,0,0,0,0,0.090909091,0.063492063,0.020833333,0.047407407,0,0,0,0,0,0,0.222641895,22.1589889,32.1589889,44.3179778,4.43179778,22.1589889,5.27E-16,5.27E-17,-35.17865595,5000017.121,500001.7121,15.42495189,0,121.8210941,4.321928095,3.931825633,4.744932128,5.572154032,6.401917197,7.23489842,8.068089626,8.902047346,9.735956081,10.57005972,86.16188019,3.135494216,0,4.369447852,0,5.84932478,0,7.43543802,0,9.066816362,9.288504393,128.0626003,7.114588903,20.65842448,2.065842448,0,0,0,109,12,3.224,50,1.25523723,2.247121425,3.0991596,4.115872986,5.138001927,6.082544224,7.071921142,0,0,0,119.8204774,174.6414311,167.4315837,149.7412211,101.0546087,32.75642007,7.185524483,0,0,0,388.4701431,602.3046107,637.1329312,666.0540607,574.9549957,389.5161618,219.8217894,0,0,0,9.269096299,16.46595579,22.33590224,29.3653929,36.03128064,41.82183551,47.5124476,0,0,0,2.724071484,4.371308105,4.896760073,5.487199647,5.250073587,4.307262292,3.144267402,0,0,0,171.3621917,314.7130381,459.93525,630.632092,832.9757098,1048.582785,1307.723053,0,0,0,3.804814792,6.202034155,7.416657057,9.012655019,9.345869616,8.478731073,7.071921142,0,0,0,0.556566732,0.899092456,1.018728897,1.155763181,1.126279539,0.952567839,0.724164725,0,0,0,218.3667385,108.4304395,13.55074216,189.9184062,-94.30436337,-10.12711191,28.4483323,202.7348029,23.67785406,0.534838804,0.265575275,0.033189408,0.465161196,-0.23097672,-0.024804018,89.1558954,44.27053768,5.532566721,77.54086393,-38.50307064,-4.134749349,0.125589475,0.123182574,2.694947527,1.54957033,408.2851446,0,1,0,849.3839862,29.14419301,9.470393465,928.5787732,30.47259052,9.756025285,1439.491004,37.94062472,11.29110168,1.298151729,1.298151729,548.5689568,393.8027275,154.7665004,1.393004462,3.54449416,2.544495912,3.975940643,3.806801619,7.072781244,0.857932709,2.884616345,2.606702662,4.562713315,9.138015607,0.054058049,3.927403835,4.041062584,4.238598803,2.938648413,1.269335751,5.515741797,0.321451499,1.192342404,2.21E-08,7.93E-38,5.54E-89,7.52E-162,1.98E-256,0,0,0,0,0,0,0,0,0,0,0,0,0.242218953,2.606701769,0.38299448,5.156992602,0.019845339,0.543550485,0.982317129,0.363714816,1.051121373,0.013756341,0.343420159,0.002264009,0.008397765,1.55E-10,5.59E-40,3.90E-91,5.29E-164,1.39E-258,0,0,0,0,0,0,0,0,0,0,0,0,0.781588595,2.606701951,1.236163193,5.432411168,0.02682855,1.234267095,1.59964648,1.153530413,1.211461761,0.105536083,1.187329482,0.023592721,0.087511186,1.62E-09,5.82E-39,4.07E-90,5.52E-163,1.45E-257,0,0,0,0,0,0,0,0,0,0,0,0,2.72285067,2.606702607,4.306833566,8.704259107,0.051963454,3.720246758,3.851322881,4.00098113,2.743517581,1.134271614,5.124142751,0.286407498,1.062355616,1.97E-08,7.07E-38,4.94E-89,6.70E-162,1.76E-256,0,0,0,0,0,0,0,0,0,0,0,0,1.151848945,2.606702076,1.821837068,5.780981132,0.031622404,1.708422394,2.025509834,1.696049827,1.388320976,0.217386655,1.829555898,0.051246543,0.190085991,3.52E-09,1.26E-38,8.83E-90,1.20E-162,3.16E-257,0,0,0,0,0,0,0,0,0,0,0,0,3.483561827,2.606702864,5.51012126,10.95979811,0.061813526,4.69441325,4.746405396,5.118844322,3.751484644,1.835497447,7.050760559,0.4688068,1.738919338,3.22E-08,1.16E-37,8.08E-89,1.10E-161,2.89E-256,0,0,0,0,0,0,0,0,0,0,0,0,1.543570359,2.306439024,2.423411673,5.994032841,0.035693607,1.926483291,2.48580445,2.270803231,1.674972351,0.356356876,2.535571098,0.086000698,0.318997671,5.90E-09,2.12E-38,1.48E-89,2.01E-162,5.30E-257,0,0,0,0,0,0,0,0,0,0,0,0,4.403272089,2.261450183,2.57E-06,0.660683253,0.339316362,0.550353489,0.527257464,0.325612491,6.664724837,9.957797569,16.62254795,0.499999423,1.403223445,3.074927257,1.208400977,1.06E-06,0.717882527,0.282117226,0.268386597,0.150545,0.056687571,4.283329295,3.715749649,7.99908289,0.57682379,0.475619169,3.476048263,1.526393595,1.52E-06,0.694870087,0.30512961,0.342974867,0.240203627,0.114831509,5.002443374,5.305825389,10.30827681,0.542305131,0.698010003,4.353828328,2.222253931,2.51E-06,0.662069983,0.337929636,0.538063157,0.509138596,0.311693389,6.576084768,9.675328619,16.25143767,0.499999428,1.358895142,3.698755558,1.702945877,1.77E-06,0.684738761,0.315260912,0.38833081,0.298984763,0.15575404,5.401703203,6.298790079,11.70050442,0.527108141,0.843069613,4.566695428,2.391002873,2.75E-06,0.656351199,0.343648406,0.591963425,0.589398375,0.373760599,6.957701052,10.91900103,17.87673211,0.499999407,1.555122399,4.35699333,2.220469976,2.51E-06,0.662412159,0.33758746,0.538845723,0.508321476,0.311045109,6.577465813,9.674589365,16.25207943,0.499999428,1.358212308 +UMLYSI0060,L,(2-propynyl)-benzene,C#CCC1=CC=CC=C1,aromatic,C9H8,10147-11-2,575753,UML,,443.7,0,2.4289,5.89955521,42.1009,21.174344,6,6,17,9,8,0,9,0,0,0,0,0,0,0,0,0,1306.505601,1395.233793,1625.263594,1388.211896,900.980477,547.852539,208.863817,26.246304,1.016064,4060.322071,4729.545047,5987.302007,5692.465903,4034.734582,2489.682719,1121.534961,291.6407216,31.08374443,121.612356,124.8057,188.888104,222.432992,204.534068,126.99102,70.002532,27.672192,6.718464,28.65700324,34.00845448,45.03677755,45.24699351,33.98024939,21.05627622,10.13507317,3.11631443,0.444612905,2620.490421,2366.129587,3749.699429,4663.353863,4626.863969,2867.99191,1632.077703,676.0803995,184.917652,55.27777778,55.91666667,70,77.83333333,66.33333333,49.5,26.5,8,1,76.85327065,82.07257606,62.51013823,44.7810289,31.06829231,30.43625217,20.8863817,6.561576,1.016064,238.8424748,278.2085322,230.2808464,183.6279323,139.1287787,138.3157066,112.1534961,72.9101804,31.08374443,7.153668,7.341511765,7.264927077,7.175257806,7.052898897,7.055056667,7.0002532,6.918048,6.718464,1.685706073,2.000497322,1.732183752,1.459580436,1.171732738,1.169793123,1.013507317,0.779078607,0.444612905,154.1464954,139.1840933,144.2192088,150.4307698,159.5470334,159.3328839,163.2077703,169.0200999,184.917652,3.251633987,3.289215686,2.692307692,2.510752688,2.287356322,2.75,2.65,2,1,0.083678675,-0.003985655,-0.043077832,-0.010328226,0.020926579,-0.005307128,-0.007969975,2.54E-04,0.007648802,512.7501558,2.27E-13,-150.3899558,-222.8619958,51.10745017,12.56740578,11.72957873,7.540443467,33.9319956,953.4808099,-5.68E-14,-279.6565447,-414.4213977,95.03648595,23.36962769,21.81165251,14.02177662,63.09799477,0.100444235,8.08E-16,-0.02946036,-0.043657135,0.010011599,0.002461869,0.002297744,0.001477121,0.006647045,4.262502853,5.33E-15,-1.250194873,-1.852656469,0.424857311,0.104473109,0.097508235,0.062683865,0.282077395,23.15398315,1.64E-14,-6.791078392,-10.06365934,2.307831654,0.567499587,0.529666281,0.340499752,1.532248885,10.25163399,0.040849673,-2.995963091,-3.076509035,3.453094963,-0.472318339,-1.533640907,-0.93502499,0.393694733,0.004922275,-2.34E-04,-0.00165684,-3.33E-04,7.22E-04,-2.95E-04,-7.97E-04,6.35E-05,0.007648802,30.16177387,1.34E-14,-5.78422907,-7.189096639,1.762325868,0.69818921,1.172957873,1.885110867,33.9319956,56.08710646,-3.34E-15,-10.75602095,-13.36843219,3.277120205,1.29831265,2.181165251,3.505444154,63.09799477,0.005908484,4.76E-17,-0.001133091,-0.001408295,3.45E-04,1.37E-04,2.30E-04,3.69E-04,0.006647045,0.250735462,3.13E-16,-0.048084418,-0.059763112,0.014650252,0.005804062,0.009750824,0.015670966,0.282077395,1.361999009,9.67E-16,-0.261195323,-0.324634172,0.079580402,0.031527755,0.052966628,0.085124938,1.532248885,0.603037293,0.002402922,-0.11522935,-0.099242227,0.11907224,-0.026239908,-0.153364091,-0.233756248,0.393694733,-0.047630472,-0.336600388,-0.06768589,0.146600136,-0.059899216,-0.161916486,0.012905372,1.553916015,4.43E-16,-0.191773504,-0.238351254,0.058429119,0.023148148,0.038888889,0.0625,1.125,-5.96E-17,-0.191773504,-0.238351254,0.058429119,0.023148148,0.038888889,0.0625,1.125,8.05E-15,-0.191773504,-0.238351254,0.058429119,0.023148148,0.038888889,0.0625,1.125,1.25E-15,-0.191773504,-0.238351254,0.058429119,0.023148148,0.038888889,0.0625,1.125,7.10E-16,-0.191773504,-0.238351254,0.058429119,0.023148148,0.038888889,0.0625,1.125,0.003984699,-0.191081631,-0.164570629,0.19745419,-0.04351291,-0.254319413,-0.387631495,0.652853044,0.891390694,1.075846771,0.844911978,0.753539462,1.158526193,1.647084868,1.786429239,0.359389337,0.888888889,1.08974359,1.157706093,0.911877395,0.944444444,0.944444444,0.944444444,0,0.888888889,1.08974359,1.157706093,0.911877395,0.944444444,0.944444444,0.944444444,0,0.888888889,1.08974359,1.157706093,0.911877395,0.944444444,0.944444444,0.944444444,0,0.888888889,1.08974359,1.157706093,0.911877395,0.944444444,0.944444444,0.944444444,0,0.888888889,1.08974359,1.157706093,0.911877395,0.944444444,0.944444444,0.944444444,0,0.826267134,0.726171501,0.961469248,0.609191738,1.517373287,2.048453937,1.950908511,0,32.34528008,16.17264004,25.34547045,32.34528008,3.593920009,16.1726405,-3.55E-15,0.206632996,0.022959222,-1.419129925,48.19931943,5.355479936,3.487810411,32.34528008,16.17264004,25.34547045,32.34528008,3.593920009,16.1726405,-3.55E-15,0.206632996,0.022959222,-1.419129925,48.19931943,5.355479936,3.487810411,32.34528008,16.17264004,25.34547045,32.34528008,3.593920009,16.1726405,-3.55E-15,0.206632996,0.022959222,-1.419129925,48.19931943,5.355479936,3.487810411,32.34528008,16.17264004,25.34547045,32.34528008,3.593920009,16.1726405,-3.55E-15,0.206632996,0.022959222,-1.419129925,48.19931943,5.355479936,3.487810411,32.34528008,16.17264004,25.34547045,32.34528008,3.593920009,16.1726405,-3.55E-15,0.206632996,0.022959222,-1.419129925,48.19931943,5.355479936,3.487810411,32.34528008,16.17264004,25.34547045,32.34528008,3.593920009,16.1726405,-3.55E-15,0.206632996,0.022959222,-1.419129925,48.19931943,5.355479936,3.487810411,46.82992953,22.88997946,36.89002102,46.61285134,5.179205704,22.88997946,-0.651234568,0.239582452,0.026620272,-1.285971889,39.35968744,4.373298604,3.305467918,0,11.85,12.15009716,-0.209810918,0.090330015,4.556293453,8.31500579,9,17,13,10,2,3,0,1,0,7,8.745656,3.786358101,3.262714015,2.639552675,2.619181914,1.855370491,0.941428501,0.755067298,0.33352341,1.973671811,1.533648911,1.082250302,1.022335101,0.732385681,0.310513972,0.232545587,0.083923071,3.797808289,3.277626855,2.659541761,2.645815032,1.917424165,1.053336623,0.879944746,0.463506307,1.943356425,1.486737092,1.007167592,0.95510295,0.615416806,0.150156259,0.064698461,0.270913902,3.84977564,3.348430254,2.771820215,2.757244106,2.191046662,1.517793787,1.390894,0.957943471,1.860519576,1.363666817,0.798620231,0.778745374,0.244743484,0.396843083,0.516795196,0.943918427,3.806322122,3.28888113,2.674778895,2.665925019,1.963383332,1.134811365,0.970566218,0.555213138,1.924659784,1.458217087,0.960278991,0.91407785,0.538499766,0.041902902,0.049193145,0.399277246,3.876233584,3.386288005,2.838078588,2.810884783,2.321036384,1.721464227,1.610365023,1.207644823,1.836329601,1.329639062,0.738564276,0.730925652,0.12222442,0.594311107,0.731090208,1.155497356,3.752607413,3.556818495,2.663500883,2.605562469,1.949760778,1.145103915,0.986069675,0.634327241,2.02301512,1.431586311,0.99696743,0.807431647,0.437202105,0.007936242,0.088079573,0.457627119,1,1,0,5,1,0,1,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.65464793,0.637136847,0.195008329,0.219913203,0.169289262,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,5.171208396,2.906465518,1.8664994,1.14901088,0.713712832,0.407100273,0.123928341,0.045360921,0.574578711,0.322940613,0.18664994,0.104455535,0.059476069,0.033925023,0.020654724,0.01134023,11.16731122,16.55134741,15.90196078,16.04,12.19421796,125.8264934,0.65690066,0.973608671,0.935409458,0.943529412,0.717306939,7.401558436,1.94189,38.334,37.50463196,54.26687178,75.00926391,8.334362657,37.50463196,0.136437528,0.015159725,-1.792699594,35.3218919,3.924654656,3.208052645,81,1,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,5,0,0,1,0,5,0,0,0,0,0,0,0,0,0,0,1,1,0,5,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.589828515,0,0,18.92972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.589828515,0,0,2.250379819,0,0,0.539861111,0,2.250379819,0,0,0,0,0,0,0,0,0,0,0.736944444,5.110538549,0,10.02686886,0,0,2.583981481,0,1.208333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.589828515,0,0,1.208333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.589828515,0,0,0.447847222,0,0,0.539861111,0,0.447847222,0,0,0,0,0,0,0,0,0,0,0.736944444,5.110538549,0,1.986128118,0,0,2.583981481,0,1.208333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.589828515,0,0,5.110538549,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.589828515,0,0,0.452046485,0,0,0.539861111,0,0.452046485,0,0,0,0,0,0,0,0,0,0,0.736944444,5.110538549,0,2.027638889,0,0,2.583981481,0,1.208333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.66666667,2.185185185,0.589828515,5.110538549,0.230902778,0.736944444,4.546501604,0.763055556,1.110538549,2.499595616,0.763055556,1.110538549,2.499595616,4.5,0.5,0,0,0.51176,0.7,0.43333,0.43333,0.7,0.07843,0.07843,0,0,0.71429,0,0,0.11111,0.11111,0,12.5,1.38889,4.5,0.5,8,0.88889,3.5,0.38889,0,0,3.63145,0.40349,9.45555,5.8241,0.64712,1.71381,0.19042,4.43185,2.71803,0.302,-0.01785,-0.00198,0.06815,0.00757,0.352941176,9,0,0,0,0,0,0,0.142857143,0.997502546,2.603975727,2.889549431,3.4548224,3.734521665,3.734521665,16.95754329,44.26758735,49.12234032,58.7319808,63.4868683,63.4868683,0.244039539,0.637064073,0.706929835,0.845224173,0.91365275,0.91365275,3.089960295,1.483487115,1.19791341,0.632640441,0.352941176,0.352941176,0.223683786,0.583925475,0.647963615,0.774722587,0.83744342,0.83744342,6.344815581,18.90410257,22.33098703,25.97518653,26.25707445,26.25707445,30.32476541,24.912059,21.64170104,17.47542448,16.87188833,16.87188833,7.111111111,3.92,2.380165289,3,6,3,2.45,1.0531,0,2.085481947,0.333333333,0,9.563073858,4.445544946,0,0,0,0,0,0,0,0,0,0,0,0,0,0.085,0.154,0.156,0.662,0.808,3.93,10,11,12,12,6,4,2,0,0,75,2.708050201,3.068052935,3.457892725,3.944006051,4.342993404,3.840795496,3.840795496,3.840795496,0,0,5.824524092,4.5,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,1,0.111111111,0,3,6,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.04,0,0,0,0,0.111111111,0.044444444,0.0234375,0.030222222,0.030092593,0.04,0,0,0,0,0.27930787,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,0,127.7815681,4.169925001,3.663561646,4.394449155,5.153291594,5.905361848,6.673297968,7.430707083,8.200562797,8.959440144,9.729669736,78.11034197,2.944438979,0,4.077537444,0,5.433722004,0,6.886531643,0,8.379997952,8.639410824,116.0626003,6.82721178,17.70058553,1.966731726,0,0,0,94,8,2.561,38,1.240488455,2.228186196,3.097264354,3.959019484,4.917627062,5.709790114,6.646248406,7.43591864,0,0,110.3840244,148.4575749,142.206648,130.1634539,153.1570742,120.1250727,43.24975041,7.555369237,0,0,365.1471862,535.4537869,581.783718,571.338221,687.2474091,649.7989932,481.8630515,231.1361946,0,0,9.134496,16.22270788,22.26540107,27.96934215,34.69850885,40.01934903,45.96610494,49.95795169,0,0,2.590285751,3.984263397,4.609494027,4.764380614,5.786919175,5.865609961,5.15623047,3.306105387,0,0,170.948169,319.0524471,462.7433299,628.2820164,783.3968771,927.9186561,1124.381922,1375.032616,0,0,4.154795472,6.165461797,7.924866857,9.240272504,13.50975052,15.33261501,13.27063793,7.43591864,0,0,0.530435197,0.823484629,0.963956562,1.007182697,1.225438371,1.256503884,1.133370003,0.761438069,0,0,221.181311,123.3731051,16.03557313,149.0666079,-83.14812048,-12.84007261,72.11470304,206.5212256,28.87564574,0.597387047,0.333217552,0.043310367,0.402612953,-0.224574174,-0.034679662,81.89192008,45.67863542,5.93713758,55.19160136,-30.78541857,-4.754010163,0.221105132,0.21389563,11.294008,9.612495918,370.2479189,0,1,0,705.3080218,26.55763585,8.901426451,784.2789958,28.00498162,9.22196624,1138.081599,33.735465,10.44057619,1.787816338,1.787816338,512.6447054,458.6922858,128.1650802,1.117622252,3.999878162,3.578917792,4.104797036,4.49813541,7.43591864,0.653111337,2.816744617,2.787001821,3.377235659,7.283438332,1.52912983,3.425717612,1.608759429,6.113786599,2.761823757,2.877042228,0.648378609,1.099614561,0.202627742,0.663225141,1.52E-14,6.70E-50,5.71E-107,9.37E-186,2.97E-286,0,0,0,0,0,0,0,0,0,0,0,0.24673331,2.786959111,0.281037231,2.771225733,1.044070552,1.804224829,0.296140986,1.690042935,1.1726844,0.666855762,0.053977158,0.091083998,0.001428336,0.004671149,1.07E-16,4.72E-52,4.02E-109,6.60E-188,2.09E-288,0,0,0,0,0,0,0,0,0,0,0,0.771327408,2.786962127,0.908156572,3.163341948,1.143081492,2.079147327,0.560662268,2.428007311,1.385002227,0.977999966,0.174506177,0.294820325,0.014874844,0.048676973,1.11E-15,4.92E-51,4.19E-108,6.88E-187,2.18E-287,0,0,0,0,0,0,0,0,0,0,0,2.659410366,2.786997189,3.185961957,6.820088625,1.499434848,3.306619258,1.527194771,5.784590981,2.624894882,2.692208136,0.611706414,1.037120842,0.180538505,0.59092166,1.35E-14,5.97E-50,5.08E-107,8.35E-186,2.64E-286,0,0,0,0,0,0,0,0,0,0,0,1.131444811,2.78696589,1.34010354,3.589565498,1.211049398,2.284518006,0.743260966,2.983593391,1.564024513,1.233160192,0.2574834,0.435310258,0.032307166,0.10573289,2.42E-15,1.07E-50,9.10E-108,1.49E-186,4.73E-287,0,0,0,0,0,0,0,0,0,0,0,3.39928253,2.787021261,4.087396573,9.211469098,1.63907698,3.88920265,1.912127213,7.398932726,3.313821286,3.617635069,0.784480977,1.331854743,0.295509565,0.967251537,2.21E-14,9.77E-50,8.32E-107,1.37E-185,4.33E-286,0,0,0,0,0,0,0,0,0,0,0,1.326459243,1.926199854,1.416114693,3.031345259,1.327924755,2.776801402,0.846022599,3.389084187,2.330277236,1.942775703,0.336990879,0.485006429,0.042444729,0.13889432,3.18E-15,1.40E-50,1.20E-107,1.96E-186,6.22E-287,0,0,0,0,0,0,0,0,0,0,0,4.426265526,1.567352085,0.655224231,0.66571978,0.235733098,0.507498157,0.446521357,0.310023709,6.648841841,10.86467999,22.05915074,0.49857967,1.264043224,3.634840627,0.784672134,0.320472864,0.76684634,0.165543146,0.335248917,0.111994398,0.07941029,4.739985626,4.268492066,9.922516984,0.65026951,0.526653604,3.879313478,1.027876457,0.425942072,0.727398735,0.192734111,0.384321767,0.192111792,0.138129118,5.333132007,6.077633641,13.10919049,0.591098103,0.714562677,4.397739819,1.53935394,0.643464428,0.668292825,0.233924524,0.500612845,0.430716625,0.299947601,6.580558187,10.58998675,21.526592,0.502439237,1.231277071,4.013002342,1.16028871,0.482777572,0.709503828,0.205140494,0.412713053,0.244765316,0.175510343,5.656068625,7.153790206,15.05778771,0.564255742,0.832988712,4.520039285,1.659296434,0.693745783,0.657643778,0.241419578,0.530492361,0.500426414,0.343858477,6.873081502,11.78697316,23.86320705,0.486465667,1.374777252,4.450655062,1.530130238,0.645886271,0.67162753,0.230904795,0.5103171,0.425084492,0.307563179,6.626671571,10.67298901,21.69819897,0.507441296,1.242964771 +UMLYSI0061,L,1-ethynyl-4-ethylbenzene,CCC1=CC=C(C=C1)C#C,aromatic,C10H10,40307-11-7,142425,PubChem,,442.6,0,2.084,4.343056,46.6303,24.26793,6,6,20,10,10,0,10,0,0,0,0,0,0,0,0,0,1452.80185,1563.71209,1928.947116,1837.175603,1162.251222,616.516491,369.299282,216.906649,50.46048,4546.006462,5382.535181,7042.323661,7202.088202,5481.28267,3312.035756,1784.123457,1111.9366,521.1139543,142.5898,146.58148,231.24216,279.046028,256.377048,216.326892,111.534536,50.246308,41.907456,32.33512905,39.0244431,53.06196058,56.50568944,46.12614087,30.18090101,15.8159691,9.47016586,5.34340305,3117.120081,2799.169038,4711.163645,5936.530087,5545.213194,5112.945865,2651.665215,1045.529642,982.3254949,60.05555556,62,80.33333333,96.11111111,88.66666667,59.08333333,30.66666667,25,16,72.6400925,78.1856045,60.27959737,47.10706674,32.28475617,19.88762874,23.08120513,30.98666414,8.41008,227.3003231,269.1267591,220.0726144,184.6689283,152.2578519,106.8398631,111.5077161,158.8480857,86.85232572,7.12949,7.329074,7.2263175,7.155026359,7.121584667,6.978286839,6.9709085,7.178044,6.984576,1.616756452,1.951222155,1.658186268,1.448863832,1.281281691,0.973577452,0.988498069,1.352880837,0.890567175,155.8560041,139.9584519,147.2238639,152.2187202,154.0336998,164.9337376,165.7290759,149.3613775,163.7209158,3.002777778,3.1,2.510416667,2.464387464,2.462962963,1.905913978,1.916666667,3.571428571,2.666666667,0.071130861,-0.015144662,-0.013745406,0.008683561,-0.035920049,0.005091275,0.023497249,-0.008820149,-0.007865171,605.330045,1.49E-13,7.82E-14,-30.26650225,-363.198027,90.79950675,121.066009,-151.3325112,-60.5330045,1125.637067,2.84E-13,2.27E-13,-56.28185336,-675.3822403,168.8455601,225.1274134,-281.4092668,-112.5637067,0.11858,1.37E-15,1.10E-15,-0.005929,-0.071148,0.017787,0.023716,-0.029645,-0.011858,5.032121424,7.77E-15,6.22E-15,-0.251606071,-3.019272855,0.754818214,1.006424285,-1.258030356,-0.503212142,27.33456344,4.04E-14,3.15E-14,-1.366728172,-16.40073807,4.100184516,5.466912688,-6.833640861,-2.733456344,10.96666667,-0.144444444,0.642222222,2.79,-3.662222222,-0.606666667,1.526666667,-3.252222222,-3.74,0.003556543,-7.57E-04,-4.30E-04,2.23E-04,-9.98E-04,1.64E-04,0.001468578,-0.001260021,-0.001310862,30.26650225,7.46E-15,2.44E-15,-0.77606416,-10.08883408,2.929016347,7.566625562,-21.61893018,-10.08883408,56.28185336,1.42E-14,7.11E-15,-1.443124445,-18.76061779,5.44663097,14.07046334,-40.20132383,-18.76061779,0.005929,6.85E-17,3.43E-17,-1.52E-04,-0.001976333,5.74E-04,0.00148225,-0.004235,-0.001976333,0.251606071,3.89E-16,1.94E-16,-0.006451438,-0.08386869,0.024348975,0.062901518,-0.179718622,-0.08386869,1.366728172,2.02E-15,9.85E-16,-0.035044312,-0.455576057,0.132264017,0.341682043,-0.976234409,-0.455576057,0.548333333,-0.007222222,0.020069444,0.071538462,-0.101728395,-0.019569892,0.095416667,-0.464603175,-0.623333333,-0.212912676,-0.120775693,0.062604444,-0.280547468,0.046178178,0.412922906,-0.3542826,-0.368577514,2.47E-16,8.07E-17,-0.025641026,-0.333333333,0.096774194,0.25,-0.714285714,-0.333333333,2.52E-16,1.26E-16,-0.025641026,-0.333333333,0.096774194,0.25,-0.714285714,-0.333333333,1.16E-14,5.79E-15,-0.025641026,-0.333333333,0.096774194,0.25,-0.714285714,-0.333333333,1.54E-15,7.72E-16,-0.025641026,-0.333333333,0.096774194,0.25,-0.714285714,-0.333333333,1.48E-15,7.21E-16,-0.025641026,-0.333333333,0.096774194,0.25,-0.714285714,-0.333333333,-0.013171226,0.036600811,0.130465279,-0.185522909,-0.035689774,0.174012158,-0.847300622,-1.136778116,1.075598764,0.799327003,0.704745956,1.240661919,0.957047565,0.618952933,1.815317784,2.407538008,0.95,0.95,0.974358974,1.266666667,0.858064516,0.7125,1.628571429,1.266666667,0.95,0.95,0.974358974,1.266666667,0.858064516,0.7125,1.628571429,1.266666667,0.95,0.95,0.974358974,1.266666667,0.858064516,0.7125,1.628571429,1.266666667,0.95,0.95,0.974358974,1.266666667,0.858064516,0.7125,1.628571429,1.266666667,0.95,0.95,0.974358974,1.266666667,0.858064516,0.7125,1.628571429,1.266666667,0.873480243,0.505319149,0.567635674,1.196456715,0.990456581,0.691805978,3.588797221,4.042553191,39.54222794,19.77111397,29.86864412,39.54222794,3.954222794,19.77111398,2.13E-14,0.128335322,0.012833532,-2.05310874,63.83578688,6.383578688,4.156313956,39.54222794,19.77111397,29.86864412,39.54222794,3.954222794,19.77111398,2.13E-14,0.128335322,0.012833532,-2.05310874,63.83578688,6.383578688,4.156313956,39.54222794,19.77111397,29.86864412,39.54222794,3.954222794,19.77111398,2.13E-14,0.128335322,0.012833532,-2.05310874,63.83578688,6.383578688,4.156313956,39.54222794,19.77111397,29.86864412,39.54222794,3.954222794,19.77111398,2.13E-14,0.128335322,0.012833532,-2.05310874,63.83578688,6.383578688,4.156313956,39.54222794,19.77111397,29.86864412,39.54222794,3.954222794,19.77111398,2.13E-14,0.128335322,0.012833532,-2.05310874,63.83578688,6.383578688,4.156313956,39.54222794,19.77111397,29.86864412,39.54222794,3.954222794,19.77111398,2.13E-14,0.128335322,0.012833532,-2.05310874,63.83578688,6.383578688,4.156313956,54.47133933,26.73303173,40.94023495,54.05711711,5.405711711,26.73303173,-0.702222222,0.351485199,0.03514852,-1.045587675,83.9193874,8.39193874,4.429856664,0,11.69,12.3100528,-0.402983451,0.218653872,4.718799565,8.333168068,10,20,16,13,3,3,0,1,0,7,10.93207,3.827143373,3.249563587,2.868804588,2.619181914,2.28640908,1.577936987,0.941428501,0.636521065,1.98863185,1.617796144,1.276956659,1.082250302,0.896975257,0.611296613,0.310513972,0.063253331,3.836402393,3.266542513,2.900925244,2.645815032,2.319275096,1.665529522,1.053336623,0.742414424,1.960746127,1.551363966,1.225172208,1.007167592,0.793045881,0.491973459,0.150156259,0.205978401,3.879261858,3.355114975,3.03561721,2.771820215,2.476951602,2.020671334,1.517793787,1.195133468,1.888312526,1.375734798,1.060685923,0.798620231,0.511469749,0.085004568,0.396843083,0.721665329,3.843327461,3.279747171,2.924348165,2.665925019,2.344106566,1.728629559,1.134811365,0.820822016,1.943946061,1.510281249,1.191618944,0.960278991,0.72828248,0.411848868,0.041902902,0.304849955,3.901679915,3.407121225,3.095576775,2.838078588,2.563086883,2.173738754,1.721464227,1.392784029,1.86803135,1.330377391,1.002832818,0.738564276,0.434690944,0.064204822,0.594311107,0.914611808,3.841467562,3.479610246,2.964654576,2.625833736,2.331884596,1.68475664,1.159809186,0.907960385,2.035107143,1.561035235,1.022023284,0.978304058,0.632482729,0.383088677,0.005161135,0.352931779,1,1,0,4,2,1,1,0,0,0,0,0,0.083333333,0.11785113,0,0,0,0.027777778,0.033530744,0.40824829,0,0,0,0.201184464,0,0,0,0.98559856,1.114807748,1.040440115,0.398271461,0.374853711,0.297983517,7.397341225,4.863703305,3.703247927,3.121027034,2.047980757,1.471404521,0.902368927,0.402368927,0.739734123,0.486370331,0.308603994,0.222930502,0.14628434,0.091962783,0.075197411,0.067061488,6.093858127,3.420702511,2.194814383,1.52885073,0.83667297,0.507709789,0.255826903,0.089341908,0.609385813,0.342070251,0.182901199,0.109203624,0.059762355,0.031731862,0.021318909,0.014890318,12.70913902,19.43918427,18.62745098,18.8,13.99277246,148.8547485,0.635456951,0.971959213,0.931372549,0.94,0.699638623,7.442737425,2.30989,43.11,42.38504202,55.88860613,84.77008404,8.477008404,42.38504202,2.22E-16,2.22E-17,-36.04365339,48.66129513,4.866129513,3.884883953,100,1,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,0,2,0,0,4,0,0,0,0,0,0,0,0,1,0,1,1,0,4,0,0,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.596011196,0,0,18.12923375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.596011196,0,0,1.8,0,0.68738733,0,0,1.8,0,0,0,0,0,0,0,0,2.129842215,0,1.07425737,5.191344482,0,8.071481481,0,0,2.578259637,0,2.288148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.596011196,0,0,0.955740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.596011196,0,0,0.432222222,0,0.303988804,0,0,0.432222222,0,0,0,0,0,0,0,0,2.129842215,0,1.07425737,5.191344482,0,1.971064815,0,0,2.578259637,0,0.955740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.596011196,0,0,5.191344482,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.596011196,0,0,0.467777778,0,0.383398526,0,0,0.467777778,0,0,0,0,0,0,0,0,2.129842215,0,1.07425737,5.191344482,0,2.064675926,0,0,2.578259637,0,1.332407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.33333333,2.133333333,0.596011196,5.191344482,0.176666667,0.955740741,5.269704307,0.710925926,1.191344482,3.057596372,0.710925926,1.191344482,3.057596372,5,0.5,0,0,0.5,0.7,0.43333,0.43333,0.7,0.06667,0.06667,0,0,0.71429,0,0,0.2,0.2,0,14,1.4,5,0.5,9,0.9,4,0.4,0,0,4.8765,0.48765,11.43218,6.55568,0.65557,2.1922,0.21922,4.86369,2.67149,0.26715,0.05031,0.00503,0.13631,0.01363,0.3,10,0,0,0,0,0,0,0.25,1,2.941446071,3.38418372,3.68418372,3.88418372,3.78418372,20,58.82892142,67.6836744,73.6836744,77.6836744,75.6836744,0.231378213,0.680586536,0.783026382,0.852439846,0.898715489,0.875577667,3.321928095,1.380482024,0.937744375,0.637744375,0.437744375,0.537744375,0.215338279,0.633405935,0.728744298,0.793345782,0.836413438,0.81487961,6.503912516,22.3212879,24.96592498,26.36748999,26.56905499,25.36905499,35,23.49836431,19.72175702,17.79982892,17.3354433,18.72860016,8.1,4,2.285714286,2,8,2,2.56,1.194,0.142857143,3.888322594,1.264911064,0,6.580104012,7.559526299,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.085,0.15,0.144,0.638,0.816,4.406,12,14,14,16,12,6,0,0,0,94,2.772588722,3.198673118,3.743604354,4.141148628,4.610779425,4.593856426,4.406719247,0,0,0,6.066253091,4.575132979,0.428571429,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,2,0.2,0,4,7,0.75,2,0.888888889,0.25,0.382222222,0.180555556,0.040816327,0,0,0,0,0.2,0.074074074,0.022727273,0.063703704,0.060185185,0.020408163,0,0,0,0,0.441098399,26.03949385,39.44261809,52.0789877,5.20789877,26.03949385,1.11E-16,1.11E-17,-36.73680057,53.5839518,5.35839518,3.981249616,0,145.0775528,4.321928095,3.80666249,4.574710979,5.361292166,6.150602768,6.944087208,7.737616283,8.532475815,9.326967184,10.12202049,82.55643538,3.044522438,0,4.234106505,0,5.65248918,0,7.158513997,0,8.703008637,8.947285869,130.0782503,6.503912516,19.56874261,1.956874261,0,0,0,125,11,3.354,44,1.234615187,2.194155382,3.033880957,3.917246718,4.728663838,5.790928853,6.960743276,7.941023898,8.644557023,0,105.0344433,142.0771331,152.3158011,137.8423674,102.1701919,144.5919443,223.1346908,65.72172743,8.783423187,0,352.1403401,508.4613643,587.1544759,627.5851532,534.9907928,672.4839344,1123.094504,681.6794416,268.7052012,0,9.075801864,15.90380352,21.76863415,27.96222689,33.0919416,40.41064689,49.98834279,55.42643029,58.07814516,0,2.516830366,3.787047158,4.5599509,5.205171841,4.805490492,5.873979262,9.511429878,7.007907542,3.843481609,0,171.1004112,319.7153757,457.4141953,598.7770044,772.768316,956.9265463,1038.183123,1303.158819,1598.531188,0,3.890662371,5.704243212,7.757322731,9.985746364,9.42499303,11.45720832,25.13091588,20.72655629,8.644557023,0,0.516144668,0.783249734,0.950840598,1.097374629,1.029101693,1.253847801,2.009436371,1.528430413,0.885202639,0,244.9467722,130.2586883,12.58274562,131.5497091,-69.95598428,-10.21411643,113.3970631,200.2146725,22.79686205,0.650595117,0.345975845,0.033420619,0.349404883,-0.185807804,-0.027129381,92.2215978,49.04193778,4.737359451,49.52800256,-26.33818192,-3.845578895,0.232615276,0.214924821,6.957292446,11.27417175,376.4964812,0,1,0,784.2788746,28.00497946,9.221965765,882.4116084,29.70541379,9.591585539,1316.875154,36.28877448,10.96095011,2.407100756,2.407100756,746.9145589,677.4312743,111.1223107,1.102568758,6.72155352,6.096266985,4.302033556,5.14982236,9.111611376,0.769305956,3.292943018,2.8518978,3.123823476,8.724022263,4.012527706,7.304656433,4.537502152,7.011997958,3.453420948,5.618392008,2.561486045,1.542328691,0.553416957,0.129724957,1.71666789,0.588426329,0.655829697,3.93E-07,5.96E-35,2.00E-84,1.37E-155,1.83E-248,0,0,0,0,0,0,0,0,0.286748298,2.851794415,0.248009201,4.374106411,0.963946128,3.939711674,1.260986595,1.230834326,0.553477216,1.352724125,0.197159775,0.029244403,0.046613221,0.122417268,0.143172622,0.049280157,0.004619062,2.77E-09,4.20E-37,1.41E-86,9.62E-158,1.29E-250,0,0,0,0,0,0,0,0,0.90037673,2.851801588,0.807822554,4.953915107,1.263419504,4.560698878,1.802350801,2.248706078,0.96343341,2.166127989,0.559532385,0.137494882,0.150062627,0.122926019,0.462768694,0.159149821,0.048134189,2.89E-08,4.37E-36,1.47E-85,1.00E-156,1.34E-249,0,0,0,0,0,0,0,0,3.108905931,2.851886543,2.938145143,8.348727298,3.711697262,7.075354387,4.291831293,6.600702877,3.211508508,5.336976535,2.374207892,1.378732313,0.522390781,0.128929867,1.619777906,0.555355956,0.584332453,3.50E-07,5.31E-35,1.78E-84,1.22E-155,1.63E-248,0,0,0,0,0,0,0,0,1.321613411,2.851810648,1.200193603,5.443417422,1.564846704,5.006545221,2.211820665,2.995599803,1.298890345,2.741520735,0.843990613,0.271368412,0.221077413,0.123567106,0.682632846,0.234625811,0.104553891,6.27E-08,9.50E-36,3.19E-85,2.18E-156,2.92E-249,0,0,0,0,0,0,0,0,3.974349514,2.851945075,3.822233008,10.23732764,5.256031218,8.180116982,5.498301313,8.599985095,4.42221244,6.683366826,3.303188946,2.228629509,0.668292939,0.133063626,2.076045696,0.710943968,0.956465978,5.74E-07,8.69E-35,2.92E-84,1.99E-155,2.67E-248,0,0,0,0,0,0,0,0,1.601013979,1.8555218,1.215207905,5.319423564,1.62829471,6.422452758,2.269657479,3.310223173,1.351635186,3.324303572,1.144088476,0.382645329,0.376401115,0.216716281,1.492414155,0.258293163,0.144103205,8.64E-08,1.31E-35,4.39E-85,3.00E-156,4.02E-249,0,0,0,0,0,0,0,0,6.534279529,1.376204488,0.390211301,0.787196648,0.165793881,0.432591126,0.400214828,0.280793222,8.300695318,12.07926508,23.8889374,0.680794972,1.113599176,5.32364396,0.694390943,0.162960893,0.86129228,0.112342892,0.286804825,0.101916013,0.047969746,6.180995795,4.677394489,11.46080621,0.79193842,0.436690585,5.712182324,0.913548147,0.236154663,0.832450881,0.133133698,0.330295431,0.176364695,0.101557078,6.861885134,6.783050724,14.87727439,0.748676321,0.608217204,6.492906452,1.352951263,0.382480201,0.789090886,0.164425827,0.427108974,0.386804612,0.269639316,8.228337916,11.78547122,23.37373934,0.683636328,1.083552903,5.918932673,1.030029279,0.274992672,0.819347986,0.142585237,0.354707376,0.22419898,0.138218575,7.223954624,8.007587569,16.90808285,0.729021979,0.717124931,6.669185536,1.452006257,0.415406121,0.7812463,0.170091912,0.450713066,0.445516299,0.318729198,8.536597915,13.05729191,25.61655772,0.67186945,1.214958562,6.588272439,1.346292423,0.380458051,0.792333648,0.161910849,0.439691995,0.382984074,0.266359392,8.315022913,11.88851035,23.57809774,0.688500472,1.08903546 +UMLYSI0062,L,indane,C1CC2=CC=CC=C2C1,aromatic,C9H10,496-11-7,10326,PubChem,,439.5,0,0.849,0.720801,41.158,22.50793,6,6,19,9,10,0,9,0,0,0,0,0,0,0,0,0,1308.537729,1563.71209,2120.623525,1624.338081,853.57306,158.493888,8.128512,0,0,4122.48956,5382.535181,7893.703283,7136.72533,4529.110611,1780.928074,248.6699554,0,0,135.049284,146.58148,260.53474,326.82618,253.934608,172.751616,53.747712,0,0,29.54622905,39.0244431,59.86042491,58.94299401,40.09970387,19.14249948,3.556903239,0,0,2990.325725,2799.169038,5265.53054,7156.429618,5725.049994,4241.400049,1479.341216,0,0,38.30555556,47.94444444,76.58333333,84.66666667,62.33333333,35,8,0,0,68.87040679,78.1856045,58.90620903,35.31169741,23.71036278,6.33975552,1.016064,0,0,216.9731347,269.1267591,219.2695357,155.1462028,125.8086281,71.23712296,31.08374443,0,0,7.107857053,7.329074,7.237076111,7.104916957,7.053739111,6.91006464,6.718464,0,0,1.555064687,1.951222155,1.662789581,1.281369435,1.113880663,0.765699979,0.444612905,0,0,157.3855645,139.9584519,146.2647372,155.5745569,159.0291665,169.656002,184.917652,0,0,2.016081871,2.397222222,2.127314815,1.84057971,1.731481481,1.4,1,0,0,0.042495238,0.002218087,-0.011305978,-0.01130795,-0.0181052,0.002803385,0.014450037,0,0,573.4705689,33.53629058,-86.1882668,-184.1142353,-258.2294375,-9.054798457,217.315163,0,0,1066.393011,62.36216439,-160.2707625,-342.3682825,-480.1886658,-16.83778438,404.1068252,0,0,0.112338947,0.006569529,-0.01688369,-0.036066715,-0.050585374,-0.001773773,0.042570548,0,0,4.767272928,0.278787891,-0.716484879,-1.530545519,-2.146666757,-0.07527273,1.806545531,0,0,25.89590221,1.514380246,-3.891957232,-8.313947551,-11.6607279,-0.408882666,9.813183995,0,0,3.18128655,0.619113573,-0.081794398,-0.70498615,-2.094952293,-0.36280394,1.034779932,0,0,0.002236591,1.11E-04,-3.14E-04,-2.46E-04,-5.03E-04,1.12E-04,0.001806255,0,0,30.18266152,1.676814529,-2.394118522,-4.002483376,-7.17303993,-0.362191938,27.16439537,0,0,56.12594795,3.118108219,-4.451965624,-7.44278875,-13.33857405,-0.673511375,50.51335315,0,0,0.005912576,3.28E-04,-4.69E-04,-7.84E-04,-0.001405149,-7.10E-05,0.005321319,0,0,0.250909101,0.013939395,-0.019902358,-0.033272729,-0.059629632,-0.003010909,0.225818191,0,0,1.362942221,0.075719012,-0.108109923,-0.18073799,-0.323909108,-0.016355307,1.226647999,0,0,0.167436134,0.030955679,-0.002272067,-0.015325786,-0.058193119,-0.014512158,0.129347492,0,0,0.049586319,-0.140416772,-0.10991055,-0.224861016,0.050136745,0.807592588,0,0,0.055555556,-0.079320988,-0.132608696,-0.237654321,-0.012,0.9,0,0,0.055555556,-0.079320988,-0.132608696,-0.237654321,-0.012,0.9,0,0,0.055555556,-0.079320988,-0.132608696,-0.237654321,-0.012,0.9,0,0,0.055555556,-0.079320988,-0.132608696,-0.237654321,-0.012,0.9,0,0,0.055555556,-0.079320988,-0.132608696,-0.237654321,-0.012,0.9,0,0,0.184880515,-0.013569751,-0.091532129,-0.347554126,-0.086672794,0.772518382,0,0,0.90107546,1.022318269,0.988202306,1.226937315,0.989934995,0.224951103,0,0,0.95,1.055555556,1.073913043,1.161111111,0.912,0,0,0,0.95,1.055555556,1.073913043,1.161111111,0.912,0,0,0,0.95,1.055555556,1.073913043,1.161111111,0.912,0,0,0,0.95,1.055555556,1.073913043,1.161111111,0.912,0,0,0,0.95,1.055555556,1.073913043,1.161111111,0.912,0,0,0,0.817279412,0.921185662,1.018182545,1.366498162,1.018455882,0,0,0,28.14939172,14.07469586,20.43865032,28.14939172,3.127710191,14.07469955,3.55E-15,0.14295299,0.015883666,-1.750715499,236.8524676,26.31694085,4.920693703,28.14939172,14.07469586,20.43865032,28.14939172,3.127710191,14.07469955,3.55E-15,0.14295299,0.015883666,-1.750715499,236.8524676,26.31694085,4.920693703,28.14939172,14.07469586,20.43865032,28.14939172,3.127710191,14.07469955,3.55E-15,0.14295299,0.015883666,-1.750715499,236.8524676,26.31694085,4.920693703,28.14939172,14.07469586,20.43865032,28.14939172,3.127710191,14.07469955,3.55E-15,0.14295299,0.015883666,-1.750715499,236.8524676,26.31694085,4.920693703,28.14939172,14.07469586,20.43865032,28.14939172,3.127710191,14.07469955,3.55E-15,0.14295299,0.015883666,-1.750715499,236.8524676,26.31694085,4.920693703,28.14939172,14.07469586,20.43865032,28.14939172,3.127710191,14.07469955,3.55E-15,0.14295299,0.015883666,-1.750715499,236.8524676,26.31694085,4.920693703,31.46619172,15.32665189,22.61988074,31.416809,3.490756556,15.32665299,-0.148148148,0.339557633,0.037728626,-0.972100429,46.44605376,5.16067264,3.454462354,0,11.9,12.1001487,-0.136013049,0.06484136,6.82275,8.573995955,10,20,17,14,4,3,0,0,0,6,10.93207,3.874742737,3.186632043,2.733390637,2.306789784,2.100002148,1.246116182,0.75322539,0.730315644,1.947517402,1.705424172,1.240737157,1.01051039,0.60356293,0.583924036,0.239916874,0.012160111,3.885811795,3.212730471,2.758321219,2.335813307,2.156159703,1.353783091,0.881703045,0.844436469,1.920092915,1.639677238,1.169965584,0.931752057,0.464767009,0.455658087,0.072342401,0.121893504,3.936693867,3.330283972,2.8784592,2.473080285,2.403309297,1.789300054,1.398517017,1.302020466,1.846772839,1.446879061,0.980512301,0.711961221,0.085123488,0.043359313,0.509265774,0.614388651,3.894075243,3.232122762,2.777249181,2.357696071,2.197700541,1.431292318,0.974204865,0.926539732,1.903335385,1.597820779,1.126400376,0.88248626,0.386465848,0.356226307,0.041405944,0.215389016,3.963008157,3.388834277,2.943131191,2.546023937,2.520822007,1.977054612,1.618439592,1.494302825,1.82581545,1.387282874,0.928131475,0.648220306,0.042838118,0.221661379,0.724687028,0.802160743,3.923769608,3.245654452,2.848260511,2.376036653,2.221987402,1.515214791,1.129938476,1.041927865,1.845567355,1.64148315,1.071946556,0.756372039,0.285235871,0.26062874,0.205370305,0.332021019,0,0,0,4,2,0,3,0,0,0,0,0.11785113,0.25,0.294627825,0,0,0.088388348,0.12983985,0.127672058,0.333333333,0,0.083333333,0,0.204124145,0,0.041666667,0,0.942809042,1.5,1.414213562,0.524377395,0.760310363,0.58528719,6.104448007,4.466326495,3.735520021,3.216326495,2.686765231,1.779039102,0.936856351,0.560395406,0.678272001,0.44663265,0.287347694,0.189195676,0.127941201,0.088951955,0.06245709,0.043107339,5.43072142,3.53445705,2.622263719,2.010616132,1.514565212,0.814809122,0.397590793,0.210790227,0.603413491,0.353445705,0.201712594,0.118271537,0.072122153,0.040740456,0.026506053,0.016214633,11.70913902,18.43918427,17.62745098,17.8,12.99277246,142.1120539,0.616270475,0.970483383,0.927760578,0.936842105,0.683830129,7.479581784,2.1753,38.467,55.16228989,65.35541437,110.3245798,12.25828664,55.16228989,3.33E-16,3.70E-17,-32.07436945,2000024.663,222224.9625,13.05780306,70,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,4,0,0,0,0,0,0,0,0,0,0,3,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.86935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.610694444,0,1.025416667,0,0,1.610694444,0,0,0,0,0,0,0,0,0,0,3.963981481,0,0,8.735092593,0,0,0,0,3.134259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.56712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.390972222,0,0.306805556,0,0,0.390972222,0,0,0,0,0,0,0,0,0,0,1.301759259,0,0,2.12912037,0,0,0,0,1.56712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.238425926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.414375,0,0.359305556,0,0,0.414375,0,0,0,0,0,0,0,0,0,0,1.360462963,0,0,2.238425926,0,0,0,0,1.56712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.83333333,1.759259259,0.414375,2.238425926,0.131944444,1.301759259,5.149283611,0.198240741,0.238425926,1.470185185,0.198240741,0.238425926,1.470185185,4.5,0.5,0,0,0.48947,0.7,0.444,0.444,0.7,0.04547,0.04547,0,0,0.71429,0,0,0,0.22222,0,11,1.22222,5,0.55556,6,0.66667,1,0.11111,0,0,5.05896,0.56211,9.28813,4.22917,0.46991,2.48601,0.27622,4.46631,1.9803,0.22003,-0.05231,-0.00581,0.11969,0.0133,0.473684211,28,0,0,0,0,0,0,0.333333333,0.998000884,2.378991987,2.879506461,3.090032777,3.090032777,3.090032777,18.96201679,45.20084775,54.71062276,58.71062276,58.71062276,58.71062276,0.234938304,0.560035919,0.677861487,0.727421258,0.727421258,0.727421258,3.24992663,1.868935527,1.368421053,1.157894737,1.157894737,1.157894737,0.220622795,0.52591122,0.636557317,0.68309726,0.68309726,0.68309726,6.618775012,17.57337413,20.39194725,20.60412094,20.60412094,20.60412094,32.44785067,25.94856356,22.22178931,21.69634614,21.69634614,21.69634614,5.76,2.319526627,0.996539792,0,6,0,2.45,1.0305,0,0,0,0,9.480406828,8.052870517,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.115,0.112,0.679,0.88,4.751,13,17,21,20,15,13,11,0,0,129,2.63905733,3.157000421,3.682609841,4.156928049,4.52517956,4.274928499,4.286599261,4.274928499,0,0,6.113474747,3.495397287,0.25,2,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,3,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,4,0.333333333,1,0.888888889,0.319444444,0.097222222,0,0,0,0,0,0,0.1,0.068376068,0.035493827,0.024305556,0,0,0,0,0,0,0.228175451,17.79951894,25.81768473,35.59903787,3.955448652,17.79951902,0.054477105,0.006053012,-2.61897728,48.31496282,5.368329202,3.489967172,0,120.6980268,4.169925001,3.850147602,4.672828834,5.509388337,6.34738921,7.189167738,8.030409562,8.873047799,9.715168044,10.55791989,83.74546702,3.044522438,0,4.290459441,2.397895273,5.752572639,4.59511985,7.311218384,6.580639137,8.914760527,9.22818029,118.0782503,6.214644754,18.55905426,2.06211714,0,0,0,79,9,2.885,46,1.234938782,2.136671487,2.954928226,3.99660203,4.992498829,5.987118636,0,0,0,0,104.9291459,135.1410274,114.8061128,100.6290122,32.09916131,6.08329571,0,0,0,0,351.9222906,491.7198632,490.3139461,524.652048,359.0297876,186.1020656,0,0,0,0,9.077755619,15.5026142,21.07475079,28.26100068,34.51461104,40.22424102,0,0,0,0,2.515806181,3.684501347,3.986907982,4.600559864,3.849772751,2.661950209,0,0,0,0,171.1717186,309.8845246,453.8239587,630.2391966,845.7232648,1107.123921,0,0,0,0,3.053334015,4.679637776,5.62012794,7.065764525,7.000456184,5.987118636,0,0,0,0,0.515955815,0.762714067,0.838143655,0.979529198,0.84653377,0.613080948,0,0,0,0,254.4920433,108.7317985,10.88254979,116.0140752,-49.56704693,-5.151820465,138.4779681,158.2988454,16.03437026,0.686876763,0.293468294,0.029372119,0.313123237,-0.133781993,-0.013904819,94.29085915,40.28579663,4.032051284,42.98392471,-18.36489416,-1.908781004,0.145200901,0.143908275,3.498021909,1.75597982,370.5061185,0,1,0,777.9247291,27.89130203,9.196993067,875.6443391,29.59128823,9.567003102,1283.456464,35.82536063,10.8674349,1.240812914,1.171154257,428.2530259,309.9090564,128.332611,1.381866767,3.337055347,2.414889356,3.700384901,3.843827416,6.243179937,0.624209222,3.115752906,1.883914241,15.16028165,6.059289579,13.31897484,5.687062243,3.657343393,3.368426825,6.845137054,1.7854586,0.053101469,0.003267822,2.25E-25,3.72E-69,1.24E-134,8.07E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.261588035,1.883787478,1.254382012,3.43005419,0.837902296,3.49784997,1.226611374,2.084560729,0.062305149,0.146111489,3.74E-04,2.30E-05,1.59E-27,2.62E-71,8.71E-137,5.69E-224,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844183934,1.883796246,3.669553862,3.605758504,2.879771795,3.905389699,1.711726971,2.337007855,0.538605287,0.47412329,0.003897348,2.40E-04,1.65E-26,2.73E-70,9.07E-136,5.92E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.941022978,1.883900429,14.1592163,5.770627373,12.37596308,5.539128295,3.504627082,3.286427175,6.108598632,1.682759168,0.047312453,0.002911571,2.01E-25,3.32E-69,1.10E-134,7.19E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.244117754,1.883807344,5.453185716,3.833556051,4.431628783,4.196829404,2.048024187,2.513160473,1.135239854,0.70125691,0.00846556,5.21E-04,3.59E-26,5.93E-70,1.97E-135,1.29E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.762699184,1.883972253,19.03681294,7.273072173,17.01368389,6.250591033,4.227221122,3.675897661,9.937017415,2.168365012,0.077443501,0.004765812,3.28E-25,5.43E-69,1.80E-134,1.18E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.743090284,1.994302543,7.220535775,4.452636119,6.403914329,4.550191212,2.520581171,2.679374455,2.250012487,0.857642358,0.017157217,0.001055842,7.27E-26,1.20E-69,4.00E-135,2.61E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.729887615,1.828070464,0.260803998,0.641010505,0.314168278,0.561613568,0.516026417,0.315811121,5.818762077,8.268035069,15.86508852,0.461515757,1.393451107,2.635037293,1.04445386,0.042268017,0.708008544,0.280634456,0.280304148,0.168444507,0.008295159,3.721759171,2.907699669,6.745787816,0.562012817,0.457043813,2.997671529,1.304006074,0.114651594,0.678769946,0.295269219,0.36276041,0.262568156,0.061032392,4.416329197,4.402176075,9.266676276,0.518154919,0.686360958,3.694121954,1.802472466,0.25366511,0.642426996,0.313459324,0.550894922,0.501675997,0.298758632,5.750259531,8.052847339,15.49214948,0.463640493,1.351329551,3.186188843,1.43893386,0.152280361,0.666929041,0.301195826,0.409819907,0.319717163,0.107668246,4.777403064,5.289030366,10.76459549,0.500393561,0.837205315,3.845741847,1.910988799,0.283928677,0.636642731,0.316354341,0.597043126,0.563900363,0.3742978,6.040659322,8.983670508,17.11096983,0.454964096,1.535241289,3.700962461,1.80525726,0.253944738,0.64250986,0.31340377,0.552937162,0.503227337,0.299417651,5.760164458,8.079464873,15.53628221,0.46376479,1.35558215 +UMLYSI0063,L,(2-methyl-1-propenyl)-benzene,CC(=CC1=CC=CC=C1)C,aromatic,C10H12,768-49-0,13030,UML,,436.9,0,2.764,7.639696,49.8384,25.601516,0,0,22,10,12,0,10,0,0,0,0,0,0,0,0,0,1454.833978,1587.926266,1955.19342,1641.439809,1237.006687,967.526621,507.55757,109.049472,6.096384,4608.173951,5612.008414,7333.964382,7148.612352,5567.899424,4536.651814,3201.644959,1290.897864,186.5024666,156.026728,160.816744,258.914352,294.032196,314.8711,206.929076,223.420808,137.562624,40.310784,33.22435486,41.25153172,56.17827501,58.0577923,47.78942427,37.99383782,30.28802103,14.24370934,2.667677429,3486.955385,3105.414133,5387.244044,6168.251149,7373.914496,4436.093343,5260.6015,3443.992206,1109.505912,49.55555556,60,84.11111111,92,78.66666667,62.66666667,54.66666667,28,6,66.12881718,72.17846664,54.31092833,40.03511729,27.48903749,33.36298693,15.86117406,5.4524736,1.016064,209.4624523,255.0912915,203.7212328,174.3563988,123.7310983,156.4362694,100.051405,64.54489321,31.08374443,7.092124,7.309852,7.192065333,7.171516976,6.997135556,7.135485379,6.98190025,6.8781312,6.718464,1.510197948,1.875069624,1.560507639,1.416043715,1.061987206,1.310132339,0.946500657,0.712185467,0.444612905,158.4979721,141.1551879,149.6456679,150.44515,163.8647666,152.968736,164.3937969,172.1996103,184.917652,2.252525253,2.727272727,2.336419753,2.243902439,1.748148148,2.16091954,1.708333333,1.4,1,0.05810288,2.90E-04,-0.015464703,-0.02671841,0.018443623,-0.014717422,-0.005827196,0.004775711,0.010166609,660.3600491,-6.39E-14,42.02291221,-416.22694,267.1456562,-320.1745693,-113.0616448,60.03273174,150.0818293,1227.96771,4.69E-13,78.14339971,-773.9917685,496.7687553,-595.3782835,-210.2429564,111.6334282,279.0835704,0.12936,1.88E-15,0.008232,-0.081536,0.052332,-0.06272,-0.022148,0.01176,0.0294,5.489587008,1.12E-14,0.349337355,-3.460103326,2.220787472,-2.661617943,-0.939883836,0.499053364,1.247633411,29.81952376,-4.22E-14,1.897606057,-18.79533619,12.06335279,-14.45795091,-5.105463916,2.710865796,6.77716449,4.929292929,-0.767676768,1.418732782,-3.812672176,2.836547291,-2.416896235,-1.008264463,0.205693297,1.079889807,0.00264104,1.32E-05,-4.30E-04,-6.52E-04,4.10E-04,-5.07E-04,-1.82E-04,2.39E-04,0.001694435,30.01636587,-2.91E-15,1.167303117,-10.15187659,5.936570138,-11.04050239,-3.533176399,3.001636587,25.01363822,55.81671408,2.13E-14,2.170649992,-18.87784801,11.03930567,-20.53028564,-6.570092386,5.581671408,46.5139284,0.00588,8.53E-17,2.29E-04,-0.001988683,0.001162933,-0.002162759,-6.92E-04,5.88E-04,0.0049,0.249526682,5.07E-16,0.009703815,-0.084392764,0.049350833,-0.091779929,-0.02937137,0.024952668,0.207938902,1.355432898,-1.92E-15,0.052711279,-0.458422834,0.268074506,-0.498550031,-0.159545747,0.13554329,1.129527415,0.22405877,-0.034894399,0.039409244,-0.092992004,0.063034384,-0.083341249,-0.031508264,0.010284665,0.179981635,0.004997143,-0.162653762,-0.246746941,0.155188217,-0.192158126,-0.068950065,0.090413447,0.641578649,-9.68E-17,0.038888889,-0.338211382,0.197777778,-0.367816092,-0.117708333,0.1,0.833333333,3.82E-16,0.038888889,-0.338211382,0.197777778,-0.367816092,-0.117708333,0.1,0.833333333,1.45E-14,0.038888889,-0.338211382,0.197777778,-0.367816092,-0.117708333,0.1,0.833333333,2.03E-15,0.038888889,-0.338211382,0.197777778,-0.367816092,-0.117708333,0.1,0.833333333,-1.41E-15,0.038888889,-0.338211382,0.197777778,-0.367816092,-0.117708333,0.1,0.833333333,-0.155737705,0.175887978,-0.415033986,0.28132969,-0.37196156,-0.140625,0.045901639,0.803278689,1.004785225,1.148648184,1.248982342,0.74645526,1.208132972,0.976010713,0.759956562,0.212882905,1.05,0.9625,1.314634146,0.727222222,1.327586207,1.02265625,0.77,0,1.05,0.9625,1.314634146,0.727222222,1.327586207,1.02265625,0.77,0,1.05,0.9625,1.314634146,0.727222222,1.327586207,1.02265625,0.77,0,1.05,0.9625,1.314634146,0.727222222,1.327586207,1.02265625,0.77,0,1.05,0.9625,1.314634146,0.727222222,1.327586207,1.02265625,0.77,0,1.226434426,0.749487705,1.425854658,0.578551913,1.395597795,1.094646516,0.85204918,0,41.00210446,20.35493517,30.80486297,41.00210446,4.100210446,20.35493518,-3.55E-15,0.128539035,0.012853904,-2.051522643,49.17230916,4.917230916,3.895330643,41.00210446,20.35493517,30.80486297,41.00210446,4.100210446,20.35493518,-3.55E-15,0.128539035,0.012853904,-2.051522643,49.17230916,4.917230916,3.895330643,41.00210446,20.35493517,30.80486297,41.00210446,4.100210446,20.35493518,-3.55E-15,0.128539035,0.012853904,-2.051522643,49.17230916,4.917230916,3.895330643,41.00210446,20.35493517,30.80486297,41.00210446,4.100210446,20.35493518,-3.55E-15,0.128539035,0.012853904,-2.051522643,49.17230916,4.917230916,3.895330643,41.00210446,20.35493517,30.80486297,41.00210446,4.100210446,20.35493518,-3.55E-15,0.128539035,0.012853904,-2.051522643,49.17230916,4.917230916,3.895330643,41.00210446,20.35493517,30.80486297,41.00210446,4.100210446,20.35493518,-3.55E-15,0.128539035,0.012853904,-2.051522643,49.17230916,4.917230916,3.895330643,44.51618881,21.919012,33.37745224,44.48418881,4.448418881,21.919012,-0.053333333,0.178108299,0.01781083,-1.725363493,45.03093263,4.503093263,3.807349645,0,11.85,12.1501118,-0.207934131,0.092255903,6.095796875,8.933131493,10,22,18,18,6,4,4,0,0,4,13.118484,3.777960215,3.371412409,2.670416513,2.64911457,2.333552793,1.903815594,0.926938202,0.76065722,1.962776577,1.72335231,1.249629723,1.127677787,1.102295258,0.702158617,0.305911373,0.231845178,3.788934908,3.39200807,2.697314064,2.675203415,2.405454588,1.960967758,1.040358538,0.882111232,1.931960796,1.666291727,1.134540686,1.056003609,1.028724763,0.592502036,0.145009386,0.063813204,3.839201747,3.488193344,2.824495443,2.79848862,2.704236987,2.20766894,1.509333156,1.389380056,1.849694817,1.508492472,0.851359665,0.824694856,0.76031856,0.255710328,0.404709933,0.518308207,3.797117787,3.407481326,2.71764637,2.694893082,2.457539916,2.002899591,1.122815948,0.971195398,1.913161916,1.630750608,1.058262671,1.010727403,0.982818829,0.521426262,0.03633571,0.050215565,3.865109307,3.538337815,2.890708226,2.863278479,2.838982085,2.324101819,1.714330405,1.608939802,1.826120186,1.462951383,0.791032153,0.765965708,0.631337262,0.146072262,0.603646471,0.73245906,3.798977832,3.409588832,2.743039857,2.729421452,2.527114381,2.055007618,1.212831295,1.058096656,1.906914214,1.607575396,0.976707453,0.975390243,0.920387284,0.454529464,0.067964407,0.156379683,0,0,0,6,2,2,0,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.018518519,0.612372436,0,0,0,0.384900179,0,0,0,0.642228525,1.041888478,1.093412989,0.303561201,0.414672312,0.361597767,7.397341225,4.7876937,4.133584955,2.529482726,2.089508593,1.454567768,0.595522031,0.319035594,0.739734123,0.47876937,0.344465413,0.210790227,0.149250614,0.103897698,0.074440254,0.053172599,6.464101615,3.488033872,2.632371439,1.254914293,0.882597297,0.504605765,0.180223163,0.082668548,0.646410162,0.348803387,0.219364287,0.104576191,0.063042664,0.036043269,0.022527895,0.013778091,13.25096682,21.32702112,20.35294118,20.56,14.79132695,165.140309,0.602316674,0.969410051,0.92513369,0.934545455,0.672333043,7.506377681,2.92709,44.705,42.8834899,62.95133481,85.7669798,8.57669798,42.8834899,0.20866802,0.020866802,-1.567010712,39.432933,3.9432933,3.67460133,92,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,2,0,6,0,0,0,0,0,0,0,0,2,0,0,0,6,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.566462585,0,0,0,0.689787415,0,2.566462585,0,0,0,0,0,0,0,0,4.208333333,0,0,0,12.50583333,0,0,0,0,2.619166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.280092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.394444444,0,0,0,0.344893707,0,0.394444444,0,0,0,0,0,0,0,0,2.104166667,0,0,0,2.030092593,0,0,0,0,1.280092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.439795918,0,0,0,0.344893707,0,0.439795918,0,0,0,0,0,0,0,0,2.104166667,0,0,0,2.166666667,0,0,0,0,1.339074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.33333333,1.933333333,0.439795918,2.166666667,0.125,1.280092593,4.950330833,0.386574074,0.166666667,1.428333333,0.386574074,0.166666667,1.428333333,5,0.5,0,0,0.48182,0.7,0.43333,0.43333,0.7,0.04848,0.04848,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.0132,0.60132,11.44878,5.43557,0.54356,2.34681,0.23468,4.78768,2.44087,0.24409,0.12632,0.01263,0.21232,0.02123,0.272727273,10,0,0,0,0,0,0,0.2,0.994030211,2.253553209,2.651502641,3.265583323,3.481714573,3.265583323,21.86866465,49.5781706,58.3330581,71.8428331,76.59772061,71.8428331,0.222905136,0.50534539,0.594583092,0.732286893,0.780752991,0.732286893,3.465401407,2.20587841,1.807928978,1.193848296,0.977717046,1.193848296,0.211476005,0.479434552,0.564096723,0.694739964,0.740721035,0.694739964,6.685280239,15.80382441,20.57921759,23.57385599,23.79167847,21.19810347,36.74662124,30.74484747,24.38661799,19.92002383,19.35220896,22.7590982,8.1,4,3.111111111,4,8,3,2.56,1.237,0.5,2.921736458,2.309401077,0,7.732315986,5.638173476,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.151,0.136,0.629,0.808,4.834,12,12,14,14,8,6,4,0,0,90,2.708050201,3.135494216,3.496507561,3.931825633,4.290459441,3.970291914,4.043051268,3.891820298,0,0,5.877735782,3.955555556,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,3,0.3,0,3,6,1,2,0.444444444,0.4375,0.311111111,0.118055556,0.08,0,0,0,0,0.2,0.037037037,0.048611111,0.044444444,0.023611111,0.04,0,0,0,0,0.393703704,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,0,147.7140115,4.321928095,3.80666249,4.532599493,5.323009979,6.070737728,6.865891075,7.621195163,8.416046009,9.174609562,9.968479096,81.7792306,3.044522438,0,4.234106505,0,5.609471795,0,7.067319849,0,8.564267599,8.822174761,132.0939004,6.004268199,19.53512296,1.953512296,0,0,0,126,9,3.523,44,1.241115861,2.192982041,3.118300912,3.88294419,4.905090908,5.472927512,6.558817126,7.397557429,0,0,100.5156662,132.1818393,131.8853181,119.7448724,176.776607,95.27323941,35.83270499,7.516391792,0,0,342.1443511,481.4616563,563.8915845,518.8095736,797.0249085,585.3139478,423.8731161,229.9437845,0,0,9.107359974,15.84003603,22.40903346,27.26136553,35.03602347,38.35164151,45.11495741,49.70022328,0,0,2.46578685,3.625905662,4.539151292,4.361534673,6.583752307,5.451785009,4.675372093,3.289049497,0,0,173.0117166,323.4401986,465.8144694,629.5979274,748.2136773,888.8265415,1129.222421,1367.938951,0,0,3.513452064,5.362465776,7.131713422,7.074100267,10.760906,9.727422963,9.188739036,7.397557429,0,0,0.506485693,0.751622468,0.951629199,0.924379346,1.387021721,1.172919776,1.033500129,0.757509881,0,0,274.97706,147.6354872,12.1345685,125.0398382,-67.13402724,-6.967544184,149.9372218,214.7695145,19.10211269,0.68741361,0.369073126,0.03033514,0.31258639,-0.167827978,-0.017418125,109.9954706,59.05668966,4.854032454,50.01804823,-26.85474534,-2.787135413,0.116117721,0.139970218,2.535367926,1.003627407,400.0168982,0,1,0,713.6665841,26.71453882,8.936451872,835.003097,28.89642014,9.416641326,1209.227756,34.77395226,10.65375493,1.664422876,1.586316106,814.5932015,677.4951968,147.174381,1.202360113,5.534884508,4.603350068,4.538981226,4.720491121,8.465007125,0.793247124,5.40219029,5.17191659,2.41945597,15.42933581,2.658460698,9.39611661,5.993495094,2.687632138,9.156459401,4.16338749,5.351512286,5.622516033,4.021854908,1.295037027,1.265604936,0.884834654,3.71E-13,3.01E-47,4.69E-103,1.41E-180,8.21E-280,0,0,0,0,0,0,0,0,0,0.453371133,5.146223202,0.197221849,8.327789714,1.040063311,0.647115115,0.988531511,1.956110778,2.329802411,1.664660886,1.183661649,0.496601692,0.140704768,0.046971708,0.01012468,0.006231963,2.62E-15,2.12E-49,3.30E-105,9.95E-183,5.78E-282,0,0,0,0,0,0,0,0,0,1.463530628,5.147940162,0.640493121,9.150835516,1.342835335,2.181566145,1.750698293,2.09306178,3.246361564,1.952307022,1.739916388,1.542259501,0.583108284,0.192294047,0.095999333,0.064941857,2.73E-14,2.21E-48,3.44E-104,1.04E-181,6.02E-281,0,0,0,0,0,0,0,0,0,5.099227128,5.169095708,2.279756531,14.77293827,2.549627604,8.771569646,5.595308938,2.638473499,8.569822426,3.931740463,4.99217779,5.308481074,3.660498252,1.179917096,1.128465004,0.788371747,3.31E-13,2.68E-47,4.18E-103,1.26E-180,7.31E-280,0,0,0,0,0,0,0,0,0,2.156973453,5.150166221,0.947853358,9.901860727,1.558867134,3.309566525,2.350938858,2.190746696,4.017154273,2.21580142,2.209208727,2.260263979,0.990673812,0.324546615,0.20554358,0.141062392,5.92E-14,4.79E-48,7.48E-104,2.25E-181,1.31E-280,0,0,0,0,0,0,0,0,0,6.523926517,5.183777999,2.940851064,18.11134277,3.072497825,11.80951687,7.572015171,2.874612416,11.52007406,5.110403733,6.800256647,6.785507467,5.500310947,1.765231454,1.841816167,1.290448185,5.42E-13,4.38E-47,6.84E-103,2.06E-180,1.20E-279,0,0,0,0,0,0,0,0,0,2.890590596,4.820773722,1.180733165,10.87635411,1.699903903,4.442780718,2.841048592,2.249755009,4.830830601,2.630991767,2.745796748,3.013050483,1.465774751,0.478190904,0.342812176,0.236727464,9.93E-14,8.04E-48,1.26E-103,3.78E-181,2.20E-280,0,0,0,0,0,0,0,0,0,6.646021232,1.984766922,0.177213023,0.754543636,0.225336814,0.584716521,0.584585682,0.250791408,8.808001176,14.72029116,25.86587444,0.631815454,1.420093611,5.241790327,1.081964051,0.038148485,0.823934354,0.17006925,0.363690979,0.173562427,0.011427533,6.361902864,5.912670348,12.49092963,0.735901531,0.54868094,5.71767231,1.387898133,0.085299701,0.795129407,0.193008371,0.432742083,0.285695693,0.057614084,7.190870143,8.541649756,16.40941966,0.69269411,0.77605186,6.601652998,1.956240109,0.172821515,0.756141196,0.224064145,0.576933667,0.567889195,0.238449825,8.730714621,14.39340643,25.35601039,0.634211794,1.383272687,5.960773542,1.544191818,0.109375086,0.782835176,0.20280047,0.470331843,0.353721797,0.095003652,7.614340446,10.02543396,18.64652589,0.674252764,0.919057292,6.789069977,2.076741333,0.191371176,0.749578579,0.229292204,0.610164603,0.640066109,0.292708888,9.057182487,15.79580298,27.5511549,0.624367868,1.542939601,6.604242159,1.955567037,0.17249642,0.756299934,0.223946243,0.57738477,0.567492347,0.237547636,8.732305616,14.39157471,25.3516782,0.634449901,1.382424753 +UMLYSI0064,L,(1-propynyl)-benzene,CC#CC1=CC=CC=C1,aromatic,C9H8,673-32-5,69601,UML,,427.5,0,2.4402,5.95457604,43.8012,21.174344,6,6,17,9,8,0,9,0,0,0,0,0,0,0,0,0,1306.505601,1395.233793,1603.081546,1339.783544,870.669917,568.002459,259.324297,54.524736,3.048192,4060.322071,4729.545047,5819.996264,5233.519437,3618.758883,2594.820974,1642.648916,645.4489321,93.25123329,121.612356,124.8057,188.089768,193.962464,149.98802,114.352428,111.909988,68.781312,20.155392,28.65700324,34.00845448,43.69891474,40.79281627,29.08548334,21.50491322,15.47847622,7.121854669,1.333838715,2620.490421,2366.129587,3813.289637,4050.863673,3211.112961,2434.566397,2614.403198,1721.996103,554.7529561,47.27777778,54.08333333,71.66666667,70.5,51.66666667,38.5,28.5,14,3,76.85327065,82.07257606,61.65698254,49.62161274,41.46047224,35.50015369,16.20776856,5.4524736,1.016064,238.8424748,278.2085322,223.8460101,193.8340532,172.3218516,162.1763109,102.6655572,64.54489321,31.08374443,7.153668,7.341511765,7.234221846,7.183794963,7.142286667,7.14702675,6.99437425,6.8781312,6.718464,1.685706073,2.000497322,1.68072749,1.510845047,1.385023016,1.344057076,0.967404764,0.712185467,0.444612905,154.1464954,139.1840933,146.664986,150.0319879,152.910141,152.1603998,163.4001999,172.1996103,184.917652,2.781045752,3.181372549,2.756410256,2.611111111,2.46031746,2.40625,1.78125,1.4,1,0.05387598,-0.001347699,-0.019961095,-0.002539218,0.002056222,-0.012603103,-0.005821176,0.00657798,0.006700099,512.7501558,2.27E-13,-22.20241688,-102.2149003,-92.16097571,-183.4841244,-41.05352554,82.94487814,101.7959868,953.4808099,-5.68E-14,-41.28634226,-190.0729719,-171.3772697,-341.1965643,-76.3407838,154.2395428,189.2939843,0.100444235,8.08E-16,-0.004349301,-0.020023197,-0.018053702,-0.03594328,-0.008042104,0.016248332,0.019941135,4.262502853,5.33E-15,-0.18456916,-0.849714621,-0.766136134,-1.525307394,-0.341278823,0.68952252,0.846232184,23.15398315,1.64E-14,-1.002582604,-4.615663308,-4.161663638,-8.285493971,-1.853831984,3.745497274,4.596746655,5.447712418,0.227124183,-0.567089581,-1.364667436,-0.451749327,-2.13052672,-0.365820838,0.958861976,0.970011534,0.003169175,-7.93E-05,-7.68E-04,-9.40E-05,9.79E-05,-7.88E-04,-3.64E-04,6.58E-04,0.002233366,30.16177387,1.34E-14,-0.853939111,-3.785737049,-4.388617891,-11.46775777,-2.565845346,8.294487814,33.9319956,56.08710646,-3.34E-15,-1.587936241,-7.0397397,-8.160822369,-21.32478527,-4.771298987,15.42395428,63.09799477,0.005908484,4.76E-17,-1.67E-04,-7.42E-04,-8.60E-04,-0.002246455,-5.03E-04,0.001624833,0.006647045,0.250735462,3.13E-16,-0.007098814,-0.031470912,-0.036482673,-0.095331712,-0.021329926,0.068952252,0.282077395,1.361999009,9.67E-16,-0.038560869,-0.170950493,-0.198174459,-0.517843373,-0.115864499,0.374549727,1.532248885,0.320453672,0.013360246,-0.021811138,-0.050543238,-0.021511873,-0.13315792,-0.022863802,0.095886198,0.323337178,-0.025014837,-0.242250538,-0.029674943,0.030896153,-0.248548554,-0.114800693,0.207561253,0.704715295,4.43E-16,-0.028311966,-0.125514403,-0.145502646,-0.380208333,-0.085069444,0.275,1.125,-5.96E-17,-0.028311966,-0.125514403,-0.145502646,-0.380208333,-0.085069444,0.275,1.125,8.05E-15,-0.028311966,-0.125514403,-0.145502646,-0.380208333,-0.085069444,0.275,1.125,1.25E-15,-0.028311966,-0.125514403,-0.145502646,-0.380208333,-0.085069444,0.275,1.125,7.10E-16,-0.028311966,-0.125514403,-0.145502646,-0.380208333,-0.085069444,0.275,1.125,0.041691662,-0.06806331,-0.157724011,-0.067129431,-0.415529394,-0.07134823,0.299220156,1.0089982,0.901557693,1.193121668,1.049361945,1.05382246,1.175755812,0.914184264,0.545841004,0.097286804,0.888888889,0.944444444,1.049382716,1.079365079,1.298611111,1.0625,0.755555556,0,0.888888889,0.944444444,1.049382716,1.079365079,1.298611111,1.0625,0.755555556,0,0.888888889,0.944444444,1.049382716,1.079365079,1.298611111,1.0625,0.755555556,0,0.888888889,0.944444444,1.049382716,1.079365079,1.298611111,1.0625,0.755555556,0,0.888888889,0.944444444,1.049382716,1.079365079,1.298611111,1.0625,0.755555556,0,0.791841632,0.977435282,1.161812082,1.085839975,1.376724655,0.940761848,0.587402519,0,30.71500398,15.35750199,23.5421974,30.71500398,3.41277822,15.35750301,5.33E-15,0.170900652,0.018988961,-1.590005585,72.21880878,8.024312087,3.851730469,30.71500398,15.35750199,23.5421974,30.71500398,3.41277822,15.35750301,5.33E-15,0.170900652,0.018988961,-1.590005585,72.21880878,8.024312087,3.851730469,30.71500398,15.35750199,23.5421974,30.71500398,3.41277822,15.35750301,5.33E-15,0.170900652,0.018988961,-1.590005585,72.21880878,8.024312087,3.851730469,30.71500398,15.35750199,23.5421974,30.71500398,3.41277822,15.35750301,5.33E-15,0.170900652,0.018988961,-1.590005585,72.21880878,8.024312087,3.851730469,30.71500398,15.35750199,23.5421974,30.71500398,3.41277822,15.35750301,5.33E-15,0.170900652,0.018988961,-1.590005585,72.21880878,8.024312087,3.851730469,30.71500398,15.35750199,23.5421974,30.71500398,3.41277822,15.35750301,5.33E-15,0.170900652,0.018988961,-1.590005585,72.21880878,8.024312087,3.851730469,32.74120025,16.19531706,24.8731174,32.6712414,3.630137933,16.19531752,-0.125925926,0.081021203,0.009002356,-2.261739952,53.81064221,5.978960245,3.586924132,0,11.85,12.15009716,-0.203635543,0.096818894,5.029292286,8.186005852,9,17,13,10,2,3,0,1,0,7,8.745656,3.797675753,3.258608742,2.619181914,2.572766819,1.950004054,0.941428501,0.776042934,0.373763841,1.95936471,1.574532387,1.082250302,1.063878527,0.566941747,0.310513972,0.22845249,0.083923071,3.807074954,3.273289127,2.645815032,2.604409681,1.999288561,1.053336623,0.893494176,0.4975069,1.932119378,1.513902701,1.007167592,0.996420604,0.48763088,0.150156259,0.061334227,0.270913902,3.85056307,3.347598176,2.771820215,2.752769678,2.199211427,1.517793787,1.391369998,0.960746779,1.859719769,1.364625836,0.798620231,0.783168497,0.236289681,0.396843083,0.517218361,0.943918427,3.814107033,3.284581946,2.665925019,2.628371264,2.034651885,1.134811365,0.980169481,0.584002397,1.915509606,1.477766129,0.960278991,0.952101155,0.435522767,0.041902902,0.052124632,0.399277246,3.873211751,3.390571327,2.838078588,2.82677247,2.288379951,1.721464227,1.609011815,1.207644823,1.839182467,1.327106414,0.738564276,0.714297958,0.150940745,0.594311107,0.729003864,1.145155699,3.796737944,3.376505273,2.650260228,2.596420436,2.10144842,1.177549138,1.024904419,0.615426084,1.944463044,1.406157491,0.959947654,0.955865438,0.321992489,0.020913215,0.121118103,0.482142857,0,2,0,5,1,1,0,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.016037507,0.204124145,0,0,0,0.083333333,0,0,0,0.433012702,0.65464793,0.637136847,0.137891712,0.173112522,0.14004033,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,5.386751346,2.910683603,1.741025404,1.043126636,0.665823753,0.379451501,0.107965315,0.043815285,0.598527927,0.323409289,0.17410254,0.094829694,0.055485313,0.031620958,0.017994219,0.010953821,11.16731122,16.55134741,15.90196078,16.04,12.19421796,125.8264934,0.65690066,0.973608671,0.935409458,0.943529412,0.717306939,7.401558436,2.13759,38.349,37.50463196,54.26687178,75.00926391,8.334362657,37.50463196,0.136437528,0.015159725,-1.792699594,35.3218919,3.924654656,3.208052645,81,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,1,0,5,0,0,0,0,0,0,0,0,1,0,0,0,0,5,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.82638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.36600907,0,0,0.435171485,0,2.36600907,0,0,0,0,0,0,0,0,1.840277778,0,0,0,0,9.951574074,0,0,5.791481481,0,1.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.461842404,0,0,0.435171485,0,0.461842404,0,0,0,0,0,0,0,0,1.840277778,0,0,0,0,1.985787037,0,0,2.833981481,0,1.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.9575,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.483402778,0,0,0.435171485,0,0.483402778,0,0,0,0,0,0,0,0,1.840277778,0,0,0,0,1.996527778,0,0,2.9575,0,1.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.66666667,2.074074074,0.483402778,2.9575,0.285138889,1.083333333,4.7111225,0.583333333,0.4575,1.582962963,0.583333333,0.4575,1.582962963,4.5,0.5,0,0,0.51176,0.7,0.43333,0.43333,0.7,0.07843,0.07843,0,0,0.71429,0,0,0.11111,0.11111,0,13.5,1.5,4.5,0.5,9,1,4.5,0.5,0,0,3.51664,0.39074,9.45555,5.93891,0.65988,1.58748,0.17639,4.43185,2.84437,0.31604,-0.01785,-0.00198,0.06815,0.00757,0.352941176,9,0,0,0,0,0,0,0.142857143,0.997502546,2.441923521,2.727497225,3.292770194,3.572469459,3.572469459,16.95754329,41.51269985,46.36745282,55.9770933,60.7319808,60.7319808,0.244039539,0.597417913,0.667283675,0.805578013,0.87400659,0.87400659,3.089960295,1.645539321,1.359965616,0.794692647,0.514993382,0.514993382,0.223683786,0.547586269,0.611624408,0.738383381,0.801104213,0.801104213,6.344815581,18.7407823,22.16766676,25.81186626,26.09375418,26.09375418,30.32476541,25.27001129,21.99965332,17.83337677,17.22984062,17.22984062,7.111111111,3.92,2.380165289,3,8,3,2.45,1.0531,0,2.085481947,0.333333333,0,9.563073858,4.445544946,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.161,0.156,0.587,0.704,3.752,10,11,12,12,6,4,2,0,0,75,2.708050201,3.157000421,3.630985476,4.104707349,4.504659004,4.201890189,4.342993404,3.840795496,0,0,6.039361455,5.581666667,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,6,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.04,0,0,0,0,0.111111111,0.044444444,0.0234375,0.030222222,0.030092593,0.04,0,0,0,0,0.27930787,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,0,127.7815681,4.169925001,3.663561646,4.394449155,5.153291594,5.905361848,6.673297968,7.430707083,8.200562797,8.959440144,9.729669736,78.11034197,2.944438979,0,4.077537444,0,5.433722004,0,6.886531643,0,8.379997952,8.639410824,116.0626003,6.82721178,17.70058553,1.966731726,0,0,0,94,8,3.097,38,1.231017867,2.187495262,3.105993609,4.190311223,5.25959164,6.016211651,7.283023453,8.197890585,0,0,108.8389576,145.2856131,160.4938072,186.3108164,200.77326,106.9891437,39.67564718,8.329581499,0,0,360.7184705,516.3770182,622.56462,750.818574,888.3887765,660.7476973,469.8191493,254.8211358,0,0,9.062510741,15.87319054,22.36869796,29.96454101,37.6515724,42.24186863,50.09233673,55.07723277,0,0,2.561606569,3.830430703,4.824985766,5.957161242,7.270853151,6.131901864,5.184761801,3.644887946,0,0,169.7829723,317.5305131,461.8418961,638.5697537,796.1873395,970.4315447,1254.233695,1515.934678,0,0,4.037138609,6.241971977,8.30922516,10.49271136,12.91235021,11.17077517,10.19309102,8.197890585,0,0,0.524671668,0.791582306,1.005248618,1.247049862,1.529089379,1.317940599,1.146206899,0.839463996,0,0,235.000948,104.504585,11.83903981,115.6681401,-51.43745622,-6.814738683,119.3328079,155.9420412,18.65377849,0.670150167,0.298014819,0.033761287,0.329849833,-0.146683748,-0.019433531,82.40756811,36.64652751,4.151585293,40.56124119,-18.03752586,-2.389718199,0.141606495,0.22564322,3.896986388,4.662186968,350.669088,0,1,0,724.5794358,26.91801322,8.981771483,803.137286,28.33967689,9.295296832,1147.265833,33.87131283,10.46858587,2.251607525,2.251607525,652.8982699,567.866417,88.40478153,1.149739182,7.385327565,6.423480803,4.162634955,4.47479374,8.220970318,0.837173018,2.650842728,1.818211344,3.711397868,5.700593247,0.03409871,4.441143222,2.131967966,4.666869053,4.047940719,4.851619461,0.642320782,2.30830358,2.833207956,1.49341839,0.08056726,5.43E-04,4.49E-27,8.99E-72,3.53E-138,2.68E-226,0,0,0,0,0,0,0,0,0,0,0.23286127,1.81815,0.299675941,1.773380534,0.003356443,2.924539603,2.005616214,0.446280727,0.241226019,0.318196035,0.642243112,0.233773765,0.133757216,0.01055262,0.00111846,3.83E-06,3.16E-29,6.33E-74,2.49E-140,1.89E-228,0,0,0,0,0,0,0,0,0,0,0.726422835,1.818154293,0.974228377,2.201279997,0.009631595,3.234110735,2.028207746,1.244247198,0.718713439,1.085486936,0.642258966,0.657229527,0.500275008,0.109696717,0.007328853,3.99E-05,3.30E-28,6.60E-73,2.59E-139,1.97E-227,0,0,0,0,0,0,0,0,0,0,2.502815635,1.818204678,3.494803919,5.327959379,0.03221669,4.348297835,2.123100906,4.386007337,3.708927555,4.518163955,0.642316027,2.181302351,2.602680358,1.330632552,0.072163387,4.84E-04,4.00E-27,8.01E-72,3.15E-138,2.39E-226,0,0,0,0,0,0,0,0,0,0,1.065237376,1.818159684,1.443776009,2.605987255,0.01393929,3.446621611,2.044666138,1.810894164,1.13543446,1.659144558,0.642269849,0.947918633,0.806659154,0.238191396,0.01456332,8.66E-05,7.16E-28,1.43E-72,5.63E-139,4.28E-227,0,0,0,0,0,0,0,0,0,0,3.198920422,1.818239331,4.522125488,7.230406349,0.041066981,4.784907899,2.166083882,5.73229829,5.423473507,6.149750991,0.642338388,2.778531967,3.76085612,2.177898322,0.115702509,7.92E-04,6.55E-27,1.31E-71,5.15E-138,3.91E-226,0,0,0,0,0,0,0,0,0,0,1.243553319,1.852168744,1.767112851,2.963983783,0.019921524,4.075998475,1.990491033,2.0174038,1.45536056,2.216262933,0.597229208,1.096468466,1.002649734,0.3472665,0.020394917,1.26E-04,1.04E-27,2.09E-72,8.21E-139,6.23E-227,0,0,0,0,0,0,0,0,0,0,7.251664167,1.494875414,0.098390774,0.819866735,0.169009292,0.559836201,0.413973825,0.11664036,8.844930355,11.70091327,21.61243252,0.729800102,1.090450386,4.920096601,0.747166007,0.014521629,0.865942175,0.131502003,0.257712413,0.103398536,0.002536324,5.681784237,3.758426818,9.493594437,0.798913263,0.363647274,5.644590335,0.979508042,0.040582663,0.846940806,0.14696998,0.339196601,0.177717267,0.019822534,6.66468104,5.797745184,12.68680459,0.77041121,0.536736402,7.168258822,1.468128776,0.09539061,0.820939178,0.168136288,0.54703231,0.39929071,0.109630745,8.731778209,11.34775734,21.08341937,0.731408767,1.055953766,6.039040098,1.106004422,0.054771488,0.838777004,0.153615651,0.388259424,0.226590668,0.036117922,7.199816008,7.070549775,14.63619578,0.758165505,0.650968014,7.525562766,1.582709698,0.108243139,0.816530139,0.171725386,0.602925372,0.464057271,0.14118882,9.216515603,12.89668917,23.40246512,0.724795208,1.208171464,7.15581985,1.462365473,0.094913317,0.82127153,0.167835294,0.545135454,0.396160839,0.108532291,8.71309864,11.28240444,20.98871626,0.731907295,1.049828583 +UMLYSI0065,L,"1,3-diphenylpropane",C1=CC=C(C=C1)CCCC2=CC=CC=C2,aromatic,C15H16,1081-75-0,14125,PubChem,,413.9,0,2.2524,5.07330576,72.1138,37.068688,12,12,31,15,16,0,15,0,0,0,0,0,0,0,0,0,2180.218839,2501.939344,3131.493307,2808.76648,2067.295955,1826.17513,1729.318426,1672.761562,1380.169064,6850.093437,8612.05629,11811.64409,11863.07499,9640.35223,8298.942397,7381.049466,6673.433045,5702.064264,220.603164,234.530368,391.18942,512.84896,487.784972,423.3034,366.362344,284.144104,242.189216,48.94730648,62.43910896,89.95635663,96.27797888,81.88484188,70.1875874,61.27923292,53.26815244,45.91190082,4860.597774,4478.670461,7863.767249,11112.29404,10911.74777,9559.973033,8334.992651,6243.161244,5249.901924,68.30555556,83.83333333,124.9166667,141,122.7777778,106.3333333,95,84.33333333,75.33333333,70.32963997,78.1856045,57.9906168,39.01064556,29.96081094,30.43625217,33.25612358,41.81903905,40.59320776,220.970756,269.1267591,218.7341498,164.7649305,139.7152497,138.3157066,141.943259,166.8358261,167.7077725,7.116231097,7.329074,7.244248519,7.122902222,7.06934742,7.055056667,7.045429692,7.1036026,7.123212235,1.57894537,1.951222155,1.665858456,1.337194151,1.186736839,1.169793123,1.178446787,1.331703811,1.350350024,156.7934766,139.9584519,145.6253194,154.3374172,158.141272,159.3328839,160.2883202,156.0790311,154.4088801,2.203405018,2.619791667,2.313271605,1.958333333,1.779388084,1.772222222,1.826923077,2.108333333,2.215686275,0.088169466,0.002519601,-0.031806836,-0.023728413,-0.014349744,0.01058668,0.01925411,0.004969405,-0.012585303,937.285231,32.25067461,-269.7214623,-239.8643924,-227.2664727,-17.63708768,224.2429719,118.4204458,-59.46218132,1742.92191,59.9715066,-501.5585767,-446.0380803,-422.6117106,-32.79691767,416.9893818,220.2078758,-110.5724653,0.183607742,0.006317686,-0.052836583,-0.046987788,-0.044519942,-0.003454984,0.043927659,0.023197752,-0.011648233,7.791671883,0.268100538,-2.242200202,-1.993997751,-1.889270978,-0.146617482,1.864136553,0.984431663,-0.494310367,42.32448533,1.456326377,-12.17966708,-10.83142743,-10.26254994,-0.796428487,10.12601934,5.347448415,-2.685101757,6.326164875,0.758295757,-0.897011215,-2.085501214,-2.739420742,-0.885767141,1.951092612,1.699213782,0.027575442,0.002844176,7.87E-05,-5.89E-04,-3.30E-04,-2.08E-04,1.76E-04,3.70E-04,1.24E-04,-3.70E-04,30.23500745,1.007833582,-4.994841894,-3.331449895,-3.293716995,-0.293951461,4.312364845,2.960511146,-1.748887686,56.22328744,1.874109581,-9.28812179,-6.194973338,-6.124807399,-0.546615295,8.019026573,5.505196895,-3.252131332,0.00592283,1.97E-04,-9.78E-04,-6.53E-04,-6.45E-04,-5.76E-05,8.45E-04,5.80E-04,-3.43E-04,0.251344254,0.008378142,-0.041522226,-0.027694413,-0.027380739,-0.002443625,0.03584878,0.024610792,-0.01453854,1.365305978,0.045510199,-0.22554939,-0.150436492,-0.148732608,-0.013273808,0.194731141,0.13368621,-0.078973581,0.204069835,0.023696742,-0.016611319,-0.028965295,-0.03970175,-0.014762786,0.037521012,0.042480345,8.11E-04,0.027683774,-0.207095278,-0.115872312,-0.073120398,0.062037176,0.13018579,0.043680526,-0.130145224,0.033333333,-0.165200617,-0.110185185,-0.108937198,-0.009722222,0.142628205,0.097916667,-0.057843137,0.033333333,-0.165200617,-0.110185185,-0.108937198,-0.009722222,0.142628205,0.097916667,-0.057843137,0.033333333,-0.165200617,-0.110185185,-0.108937198,-0.009722222,0.142628205,0.097916667,-0.057843137,0.033333333,-0.165200617,-0.110185185,-0.108937198,-0.009722222,0.142628205,0.097916667,-0.057843137,0.033333333,-0.165200617,-0.110185185,-0.108937198,-0.009722222,0.142628205,0.097916667,-0.057843137,0.116120751,-0.081400168,-0.141938149,-0.194549821,-0.072341832,0.183863587,0.208165722,0.003974338,0.933798638,1.113215583,1.004616022,0.956155814,0.789846362,0.742680682,0.966344877,1.328398676,0.96875,1.148148148,1.076388889,1.067028986,0.96875,0.819711538,0.871875,1.025735294,0.96875,1.148148148,1.076388889,1.067028986,0.96875,0.819711538,0.871875,1.025735294,0.96875,1.148148148,1.076388889,1.067028986,0.96875,0.819711538,0.871875,1.025735294,0.96875,1.148148148,1.076388889,1.067028986,0.96875,0.819711538,0.871875,1.025735294,0.96875,1.148148148,1.076388889,1.067028986,0.96875,0.819711538,0.871875,1.025735294,0.889164306,1.012354422,1.048335694,1.071006282,0.966005666,0.739703639,0.859525496,1.177803699,98.93397046,49.46698523,80.79598193,98.93397046,6.595598031,49.46698523,-7.82E-14,5.55E-17,3.70E-18,-56.14492163,2000055.626,133337.0417,21.76302833,98.93397046,49.46698523,80.79598193,98.93397046,6.595598031,49.46698523,-7.82E-14,5.55E-17,3.70E-18,-56.14492163,2000055.626,133337.0417,21.76302833,98.93397046,49.46698523,80.79598193,98.93397046,6.595598031,49.46698523,-7.82E-14,5.55E-17,3.70E-18,-56.14492163,2000055.626,133337.0417,21.76302833,98.93397046,49.46698523,80.79598193,98.93397046,6.595598031,49.46698523,-7.82E-14,5.55E-17,3.70E-18,-56.14492163,2000055.626,133337.0417,21.76302833,98.93397046,49.46698523,80.79598193,98.93397046,6.595598031,49.46698523,-7.82E-14,5.55E-17,3.70E-18,-56.14492163,2000055.626,133337.0417,21.76302833,98.93397046,49.46698523,80.79598193,98.93397046,6.595598031,49.46698523,-7.82E-14,5.55E-17,3.70E-18,-56.14492163,2000055.626,133337.0417,21.76302833,123.9002487,61.58433701,104.1526494,123.7766802,8.251778681,61.58433701,-0.215555556,0.002353004,1.57E-04,-9.078093618,390.9523243,26.06348829,8.95287843,0,11.85,12.15018815,-0.210044109,0.090171403,6.566768555,8.839549723,16,32,26,20,4,6,0,0,0,12,17.491312,3.808353284,3.754237062,3.215064104,2.789397494,2.619181914,2.619181914,2.415832202,1.896369364,2.014111914,1.945239433,1.635046815,1.220602776,1.082250302,1.082250302,0.923472149,0.757746961,3.820825426,3.76590489,3.242432944,2.812761328,2.645815032,2.645815032,2.44535102,1.958692326,1.980542743,1.914328271,1.572702207,1.147335041,1.007167592,1.007167592,0.841162005,0.644341728,3.877592707,3.818884933,3.365133188,2.925669797,2.771820215,2.771820215,2.583852207,2.230242828,1.889363318,1.829841798,1.389988899,0.950214537,0.798620231,0.798620231,0.613166823,0.283017845,3.830107306,3.774582063,3.262738295,2.830513376,2.665925019,2.665925019,2.467567746,2.004656137,1.959894525,1.895260563,1.532993754,1.10213519,0.960278991,0.960278991,0.789843979,0.569676821,3.90660101,3.84586845,3.425920651,2.986693856,2.838078588,2.838078588,2.656291974,2.357770058,1.862878685,1.805173752,1.33373392,0.895474458,0.738564276,0.738564276,0.547429185,0.162381229,3.852888775,3.820955526,3.200921817,2.826304391,2.754033714,2.754033714,2.484968106,2.013346433,1.964224348,1.849096489,1.544185948,1.095482348,0.861149644,0.861149644,0.739631833,0.504234382,0,0,0,10,2,0,3,0,0,0,0,0,0.204124145,0.144337567,0,0,0,0.06415003,0.045360921,0.40824829,0,0,0,0.23570226,0,0,0,0.866025404,1.224744871,1.272551669,0.438832194,0.54600348,0.487563124,10.34708869,7.449489743,5.938975349,4.674234614,3.646831001,2.782823076,1.337429925,0.90824829,0.689805913,0.465593109,0.31257765,0.21246521,0.14587324,0.099386538,0.066871496,0.045412415,8.894823035,5.528473986,3.82475051,2.616552984,1.785991114,1.174311515,0.573617977,0.346841595,0.592988202,0.345529624,0.201302658,0.118934227,0.071439645,0.041939697,0.028680899,0.01734208,19.33462243,30.10269483,28.80392157,29.08,21.38843593,231.424903,0.623697498,0.971054672,0.92915876,0.938064516,0.689949546,7.465319451,3.8619,64.909,99.99346304,147.9853593,199.9869261,13.33246174,99.99346304,6.66E-16,4.44E-17,-52.41756165,2000064.83,133337.6554,21.76303523,252,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,3,0,0,10,0,0,0,0,0,0,0,0,0,0,3,0,0,10,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,24.25050076,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.112018141,0,1.199787415,0,0,4.112018141,0,0,0,0,0,0,0,0,0,0,3.582832577,0,0,21.37377646,0,0,0,0,2.876724301,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.43836215,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0,0.371944444,0,0,0.396597222,0,0,0,0,0,0,0,0,0,0,1.176323696,0,0,2.070134637,0,0,0,0,1.43836215,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.199398148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.427953515,0,0.413921485,0,0,0.427953515,0,0,0,0,0,0,0,0,0,0,1.230185185,0,0,2.199398148,0,0,0,0,1.43836215,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,27.83333333,1.855555556,0.427953515,2.199398148,0.144097222,1.176323696,8.693029323,0.323676304,0.199398148,2.74755291,0.323676304,0.199398148,2.74755291,7.5,0.5,0,0,0.49355,0.7,0.43953,0.43953,0.7,0.05401,0.05401,0,0,0.71429,0,0,0,0.13333,0,20,1.33333,8,0.53333,12,0.8,4,0.26667,0,0,8.85757,0.5905,18.96093,10.10336,0.67356,3.48511,0.23234,7.44948,3.96436,0.26429,-0.03548,-0.00237,0.13652,0.0091,0.483870968,46,0,0,0,0,0,0,0.2,0.999249248,2.181669314,2.67261386,3.292590665,3.599357601,3.510490262,30.97672669,67.63174872,82.85102967,102.0703106,111.5800856,108.8251981,0.201697548,0.440367958,0.539464666,0.664606418,0.726527044,0.708589253,3.954947062,2.772526997,2.28158245,1.661605645,1.35483871,1.443706048,0.190408356,0.415720169,0.509270346,0.627407802,0.685862675,0.668928878,6.577472113,15.35164552,19.2892894,23.28615338,23.59532077,22.52891271,53.48828937,46.69054093,40.03853862,31.7250021,30.50429045,32.35308839,11.484375,6.55401662,4.165289256,3,6,3,3.11,1.7469,0,0,0,0,21.70952965,9.546510447,0,0.25,0,0,0,0,0,0,0,0,0,0,0,0.003,0.181,0.184,0.979,1.288,7.565,19,22,25,28,20,20,20,20,20,225,3.135494216,3.610917913,4.069026754,4.513602992,4.947872972,4.420345499,4.523146351,4.721841493,5.029620594,5.432902891,6.933362108,4.555277778,0.5,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.25,4,0.25,0,5,10,1,1.5,0.666666667,0.25,0.142222222,0.180555556,0.120816327,0.006944444,0.032249937,0.0225,0,0.09375,0.035087719,0.015625,0.012929293,0.018055556,0.012081633,6.94E-04,0.004031242,0.005625,0,0.197879887,59.71121215,94.51145262,119.4224243,7.961494953,59.71121215,1.11E-15,7.40E-17,-51.65132322,2000058.061,133337.2041,21.76303015,0,205.6645585,4.906890596,4.262679877,5.030437921,5.814130532,6.591673732,7.379632153,8.159660737,8.948845729,9.729669736,10.51929462,97.43602504,3.496507561,0,4.691347882,0,6.089044875,0,7.566828479,0,9.077151778,9.330786525,196.1252005,6.326619371,30.58931529,2.039287686,0,0,0,436,16,4.967,70,1.249590389,2.212678011,3.017182249,3.85518168,4.725325034,5.576521505,6.602820091,7.325519703,8.161491621,9.089543377,107.221259,137.1120401,124.8566287,128.7540667,160.2441805,205.2698348,293.2899589,316.1140981,237.1910049,134.461581,358.5443471,505.8107964,519.1300304,575.2571291,698.2198,848.9039098,1144.819367,1282.505655,1135.145028,860.0792894,9.188807188,16.06532398,21.54729574,27.33174181,33.42942536,39.42202547,46.97841569,52.30518828,57.74850833,63.26331397,2.558929777,3.809132577,4.173643501,4.794953215,5.793140665,6.923994,9.039202625,10.22260791,9.702334224,8.236255009,172.9939166,319.8198213,461.529145,604.1174031,746.4195587,884.2393543,1025.541255,1122.186651,1285.983165,1509.857875,3.36441999,5.224122089,6.030639821,7.038567413,8.600033558,10.54271929,14.17317373,16.64639283,16.62144482,15.0915289,0.524632719,0.789100404,0.875678785,1.012881288,1.223392684,1.458609215,1.892335664,2.142019379,2.057919124,1.781871066,336.6754526,268.7701194,17.86602985,190.0127521,-151.6883684,-10.83195824,146.6627005,420.4584877,28.69798808,0.639231047,0.510302143,0.033921454,0.360768953,-0.288004111,-0.020566168,177.3229897,141.5580517,9.409827186,100.0774753,-79.89247441,-5.705064637,0.077700488,0.077340878,1.368239588,1.352340073,526.6882047,0,1,0,1198.532299,34.61982523,10.62225152,1355.648,36.81912546,11.06748595,2139.861788,46.25864014,12.88630999,2.459887214,2.459887214,2257.757227,2092.812563,297.7427178,1.078814829,7.582913343,7.028929467,5.991855325,5.841848756,11.17034022,0.912124173,5.27919812,5.095415241,6.144421358,20.59083916,6.404432705,10.33488681,8.769275528,13.38697112,9.057043204,9.975930072,10.4701199,6.303436613,6.50002399,5.707480037,7.406720269,4.623351531,4.819496316,2.078305924,1.865898358,0.567907283,0.183305998,1.91E-05,1.28E-30,1.65E-77,4.10E-146,1.97E-236,0,0,0,0,0.443235205,5.095287809,0.507606746,7.876309446,1.581456217,1.988237103,0.649802312,2.684911398,3.199155345,1.044617186,4.574822204,1.314885778,4.087122537,1.243865462,2.396591909,0.834782185,1.051059039,0.111201472,0.155668202,0.004019969,0.001291039,1.34E-07,8.99E-33,1.16E-79,2.89E-148,1.39E-238,0,0,0,0,1.430358335,5.095296714,1.642839209,9.1485224,2.165522211,3.369823577,2.016410857,4.423479531,3.865037034,2.241972268,5.620300894,2.134621039,4.491609219,1.94162349,3.313434844,1.462963649,1.487950089,0.39998633,0.503124597,0.041732955,0.013453623,1.40E-06,9.37E-32,1.21E-78,3.01E-147,1.45E-237,0,0,0,0,4.983143935,5.095401388,5.793905192,19.34439807,5.967523044,9.709947487,8.169349817,12.57403621,8.510988335,9.207803802,10.05336226,5.927806241,6.321162983,5.358740744,7.062564272,4.340070074,4.471228883,1.917996426,1.760619809,0.50600904,0.163322344,1.70E-05,1.14E-30,1.47E-77,3.66E-146,1.76E-236,0,0,0,0,2.107987417,5.095307906,2.426701875,10.41471059,2.685354133,4.413890207,3.040874188,5.74936396,4.479463841,3.249707113,6.384866264,2.756292545,4.795416935,2.48396376,3.974242213,1.937287475,1.886536965,0.631703841,0.742128887,0.090599967,0.029223067,3.04E-06,2.03E-31,2.63E-78,6.54E-147,3.14E-237,0,0,0,0,6.375353509,5.095473405,7.448395325,25.73730408,8.182946021,12.77815272,11.10731724,16.57603065,11.2916617,13.07129095,12.07660133,7.773973222,7.197628496,7.084406548,8.723484792,5.730517006,6.242461688,2.717146006,2.256355402,0.82817367,0.267334571,2.78E-05,1.86E-30,2.40E-77,5.99E-146,2.87E-236,0,0,0,0,2.82365517,4.149167573,3.359690973,10.96443378,3.113056672,5.51012673,4.296714193,7.131465722,5.046295808,4.363439803,7.084449201,3.492192421,5.374757759,3.227961495,5.091031002,2.711518393,2.620372214,0.967279962,1.080362561,0.165017468,0.053238861,5.54E-06,3.71E-31,4.79E-78,1.19E-146,5.72E-237,0,0,0,0,10.5566773,2.054748595,0.670975783,0.794786783,0.154697068,0.556993097,0.50629614,0.384797224,13.28240168,30.15327921,57.99002987,0.692180174,1.44808646,10.33221563,1.18406268,0.339086154,0.871522395,0.099875688,0.533631478,0.169015492,0.101523105,11.85536447,16.13900145,32.14274284,0.807283593,0.804170075,10.40561801,1.468483042,0.448298666,0.844447368,0.11917184,0.541211346,0.259189612,0.175151733,12.32239972,20.60361725,39.7762329,0.766671052,0.975552692,10.54920829,2.025753658,0.660010749,0.79707065,0.15306066,0.556206938,0.492137444,0.372610828,13.23497269,29.66970733,57.00917393,0.695605975,1.420955211,10.44414175,1.617930892,0.505299377,0.831052167,0.12874059,0.545212589,0.314349745,0.221228976,12.56737202,22.99285738,44.09872754,0.746578251,1.08079131,10.58093623,2.14891999,0.706564178,0.787481778,0.159932477,0.559550727,0.553671053,0.425677545,13.43642039,31.73204576,61.23402947,0.681222667,1.538899326,10.58751164,2.026265781,0.659284292,0.797669134,0.152660014,0.560251894,0.492375811,0.371483251,13.27306171,29.76917784,57.18593965,0.696503701,1.424110956 +UMLYSI0066,L,1-methyl-4-tert-butylbenzene,CC1=CC=C(C=C1)C(C)(C)C,aromatic,C11H16,98-51-1,7390,PubChem,,410.8,0,3.2104,10.30666816,53.1445,30.028688,6,6,27,11,16,0,11,0,0,0,0,0,0,0,0,0,1603.162355,1780.618739,2562.560464,2422.284661,1649.744552,930.365524,596.366571,217.927584,27.433728,5156.02583,6494.471781,9444.007689,10731.03495,8836.057691,5600.133604,3206.897501,2065.259095,839.2610996,190.4411,196.827788,343.622464,431.757076,565.940384,397.018192,228.965484,128.117376,181.398528,37.79170648,48.49460896,72.22864106,87.25441976,80.18733545,52.7812319,29.73226401,20.04379758,12.00454843,4353.420349,3844.69868,7310.172476,8908.67658,13305.12948,9449.345165,5546.371377,2756.205859,4992.776605,55.11805556,66.25,99.25,133.9444444,138.9166667,91.5,48.75,36,27,59.37638352,65.94884219,53.38667633,40.37141102,20.36721669,16.32220218,18.07171427,12.107088,1.016064,190.9639196,240.5359919,196.7501602,178.8505825,109.087132,98.24795797,97.17871217,114.7366164,31.08374443,7.053374074,7.289918074,7.158801333,7.195951267,6.986918321,6.965231439,6.938348,7.117632,6.718464,1.399692833,1.796096628,1.504763355,1.454240329,0.989967104,0.925986524,0.900977697,1.11354431,0.444612905,161.2377907,142.3962474,152.2952599,148.477943,164.2608578,165.7779854,168.0718599,153.1225477,184.917652,2.041409465,2.453703704,2.067708333,2.232407407,1.715020576,1.605263158,1.477272727,2,1,0.051815708,-0.007558449,0.014704538,-0.033053648,-0.020884841,0.004157832,0.021395026,-0.02250551,0.017837197,789.1710216,-8.88E-13,336.7926835,-722.4103418,-67.25889389,-96.65352159,138.5035,-526.1140144,542.5550774,1467.497214,5.40E-13,626.2803765,-1343.352879,-125.0707852,-179.7313506,257.5531726,-978.3314757,1008.904334,0.154593185,1.50E-15,0.065975374,-0.141515226,-0.013175556,-0.018933761,0.027131885,-0.103062123,0.106282815,6.560395338,1.68E-14,2.799764677,-6.005412399,-0.559124603,-0.803482762,1.151382515,-4.373596892,4.510271795,35.6361716,-1.87E-13,15.20836616,-32.62149547,-3.037173716,-4.364531118,6.254328096,-23.75744773,24.49986797,5.549897119,-2.061471193,4.341592364,-3.857796068,-1.093621399,-2.01583219,2.631915866,-4.121227709,3.40149177,0.0019191,-2.80E-04,3.06E-04,-5.51E-04,-2.58E-04,7.29E-05,6.48E-04,-0.001250306,6.61E-04,29.22855636,-3.29E-14,7.016514239,-12.04017236,-0.830356715,-1.695675817,4.197075758,-29.22855636,20.0946325,54.35174865,2.00E-14,13.04750784,-22.38921464,-1.544083768,-3.15318159,7.804641593,-54.35174865,37.3668272,0.005725674,5.54E-17,0.001374487,-0.002358587,-1.63E-04,-3.32E-04,8.22E-04,-0.005725674,0.003936401,0.242977605,6.23E-16,0.058328431,-0.100090207,-0.006902773,-0.014096189,0.034890379,-0.242977605,0.167047104,1.319858207,-6.91E-15,0.316840962,-0.543691591,-0.037495972,-0.076570721,0.189525094,-1.319858207,0.907402518,0.205551745,-0.076350785,0.090449841,-0.064296601,-0.013501499,-0.035365477,0.079755026,-0.228957095,0.125981177,-0.145871766,0.159629253,-0.287058542,-0.134353346,0.038009701,0.337832334,-0.651506407,0.344243051,-1.13E-15,0.240056818,-0.411931818,-0.028409091,-0.058014354,0.143595041,-1,0.6875,3.68E-16,0.240056818,-0.411931818,-0.028409091,-0.058014354,0.143595041,-1,0.6875,9.68E-15,0.240056818,-0.411931818,-0.028409091,-0.058014354,0.143595041,-1,0.6875,2.56E-15,0.240056818,-0.411931818,-0.028409091,-0.058014354,0.143595041,-1,0.6875,-5.23E-15,0.240056818,-0.411931818,-0.028409091,-0.058014354,0.143595041,-1,0.6875,-0.371443137,0.44003441,-0.312800074,-0.065684185,-0.172051456,0.388004617,-1.113865975,0.612892761,1.264761185,0.737555948,1.421586255,1.07092067,1.120483342,0.620360628,1.386883554,0.003913251,1.181818182,0.830965909,1.495738636,0.935606061,0.944677033,0.725206612,1.994318182,0,1.181818182,0.830965909,1.495738636,0.935606061,0.944677033,0.725206612,1.994318182,0,1.181818182,0.830965909,1.495738636,0.935606061,0.944677033,0.725206612,1.994318182,0,1.181818182,0.830965909,1.495738636,0.935606061,0.944677033,0.725206612,1.994318182,0,1.181818182,0.830965909,1.495738636,0.935606061,0.944677033,0.725206612,1.994318182,0,1.597738437,0.467324937,1.445555659,1.052908827,1.077874151,0.297234557,2.342385763,0,46.99514182,23.49757091,34.77679524,46.99514182,4.27228562,23.49757091,3.55E-15,0.095869095,0.008715372,-2.579248774,73.11493064,6.646811876,4.721235855,46.99514182,23.49757091,34.77679524,46.99514182,4.27228562,23.49757091,3.55E-15,0.095869095,0.008715372,-2.579248774,73.11493064,6.646811876,4.721235855,46.99514182,23.49757091,34.77679524,46.99514182,4.27228562,23.49757091,3.55E-15,0.095869095,0.008715372,-2.579248774,73.11493064,6.646811876,4.721235855,46.99514182,23.49757091,34.77679524,46.99514182,4.27228562,23.49757091,3.55E-15,0.095869095,0.008715372,-2.579248774,73.11493064,6.646811876,4.721235855,46.99514182,23.49757091,34.77679524,46.99514182,4.27228562,23.49757091,3.55E-15,0.095869095,0.008715372,-2.579248774,73.11493064,6.646811876,4.721235855,46.99514182,23.49757091,34.77679524,46.99514182,4.27228562,23.49757091,3.55E-15,0.095869095,0.008715372,-2.579248774,73.11493064,6.646811876,4.721235855,59.47432253,29.55913096,44.4092209,59.32969444,5.393608585,29.55913096,-0.227272727,0.293606247,0.026691477,-1.348067274,51.85930311,4.714482101,4.343387776,0,11.89,12.11017617,-0.146476368,0.077905474,5.964664963,9.623501875,11,27,24,21,5,3,0,0,0,6,17.491312,3.841045439,3.368089636,2.747935422,2.619181914,2.333552793,2.333552793,2.023575979,0.941428501,2.023503687,1.753717872,1.347964888,1.249629723,1.249629723,1.082250302,0.715473391,0.310513972,3.851548621,3.391457924,2.784796964,2.645815032,2.405454588,2.405454588,2.078380908,1.053336623,1.992206894,1.693489322,1.258588452,1.134540686,1.134540686,1.007167592,0.624139445,0.150156259,3.900145511,3.499644748,2.957081366,2.771820215,2.704236987,2.704236987,2.301980036,1.517793787,1.910398931,1.522199825,0.992956923,0.798620231,0.76031856,0.76031856,0.343409385,0.396843083,3.859403694,3.408980476,2.812575003,2.665925019,2.457539916,2.457539916,2.117829653,1.134811365,1.973286602,1.65553933,1.201095254,1.058262671,1.058262671,0.960278991,0.565430625,0.041902902,3.925533788,3.555153569,3.045122,2.838982085,2.838982085,2.838078588,2.401489129,1.721464227,1.887417149,1.471447482,0.912118773,0.738564276,0.631337262,0.631337262,0.247960516,0.594311107,3.854162372,3.381891744,2.859218034,2.745779789,2.554160246,2.554160246,2.16479964,1.247140914,1.984954146,1.64786146,1.125484822,0.95092138,0.95092138,0.868646919,0.515643902,0.082203948,0,0,0,4,2,4,0,0,1,0,0,0,0.083333333,0.125,0,0,0,0.027777778,0.041666667,1.799038106,0.288675135,0.433012702,0.144337567,1.5,0.25,0.25,0.083333333,2.270130009,2.456705871,2.490303221,1.404700538,1.30502117,1.11257108,8.483127663,4.999018566,5.322821083,3.240600189,2.126105059,1.520220057,1.103553391,0.25,0.771193424,0.454456233,0.332676318,0.202537512,0.132881566,0.08445667,0.068972087,0.041666667,7.809401077,4.071367205,4.116025404,1.91759225,1.053561201,0.644337567,0.477670901,0.083333333,0.709945552,0.370124291,0.257251588,0.119849516,0.065847575,0.035796532,0.029854431,0.013888889,15.33462243,26.10269483,24.80392157,25.08,17.38843593,204.4541246,0.567948979,0.966766475,0.918663762,0.928888889,0.644016145,7.572374983,3.01212,48.782,45.91353418,64.34759544,91.82706836,8.347915306,45.91353418,0.244542166,0.022231106,-1.549204279,44.56069417,4.050972197,4.176537391,99,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,4,0,0,0,0,0,0,0,0,4,0,0,0,0,4,0,0,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.47902778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.472638889,0,0.857916667,0,0,1.472638889,0,0,0,0,0,0,0,0,8.818888889,0,0,0,0,8.741898148,0,0,0,0,2.73712963,0,0.285416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.331481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0.285972222,0,0,0.359722222,0,0,0,0,0,0,0,0,2.1175,0,0,0,0,2.16724537,0,0,0,0,1.331481481,0,0.285416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.203703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.376597222,0,0.285972222,0,0,0.376597222,0,0,0,0,0,0,0,0,2.233796296,0,0,0,0,2.203703704,0,0,0,0,1.405648148,0,0.285416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.58333333,1.871212121,0.376597222,2.233796296,0.094166667,0.285416667,7.040940556,0.964583333,0.233796296,3.121574074,0.964583333,0.233796296,3.121574074,5.5,0.5,0,0,0.46296,0.7,0.43333,0.43333,0.7,0.02963,0.02963,0,0,0.71429,0,0,0.36364,0.18182,0.09091,11.5,1.04545,5.5,0.5,6,0.54545,0.5,0.04545,0,0,9.13652,0.83059,14.53152,5.395,0.49045,3.01752,0.27432,4.99901,1.98149,0.18014,0.41499,0.03773,0.50099,0.04554,0.222222222,11,0,0,0,0,0,0,0.454545455,0.975119065,2.318797224,2.753439353,2.975661576,3.123809724,3.04973565,26.32821475,62.60752505,74.34286254,80.34286254,84.34286254,82.34286254,0.20507721,0.487666054,0.579075604,0.625811142,0.656968166,0.641389654,3.779768437,2.436090278,2.001448149,1.779225927,1.631077778,1.705151852,0.198724436,0.472559389,0.561137303,0.606425091,0.63661695,0.62152102,6.784181073,17.62374945,18.87602785,21.54269451,20.06353156,19.98887785,41.99082118,29.45809262,27.80562733,23.46143288,24.98212362,25.18618936,9.090909091,3.1640625,2.5,3,6,0,2.67,1.4209,1.732050808,5.036839464,2.836824624,2.67496122,3.301927249,5.656854249,1.632993162,0.333333333,1,0,0,0,0,0,0,0,0,0,0,0.003,0.18,0.159,0.45,0.651,4.981,16,16,16,18,16,6,0,0,0,110,2.708050201,3.277144733,3.669951444,4.066887716,4.541298109,4.406719247,3.840795496,0,0,0,5.903998521,3.322727273,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.090909091,5,0.454545455,0,3,6,1,4,1.777777778,0.75,0.422222222,0.354166667,0,0,0,0,0,0.363636364,0.111111111,0.057692308,0.052777778,0.088541667,0,0,0,0,0,0.673759227,28.5019117,42.81012943,57.00382339,5.182165763,28.5019117,0.046748068,0.004249824,-3.369280574,68.85886453,6.259896775,4.655264865,0,167.6464548,4.459431619,4.007333185,4.779123493,5.645446898,6.447305863,7.311218384,8.120588712,8.983565234,9.795178249,10.65775335,87.74751337,3.135494216,0,4.465908119,0,5.978885765,0,7.563719668,0,9.182249492,9.406071616,148.1252005,5.486118537,21.15662001,1.923329092,0,0,0,152,13,4.246,54,1.237455694,2.154660835,3.032499911,3.644297456,4.478561012,5.542153983,6.686128345,7.012931392,0,0,91.5904985,127.7610117,129.114176,84.93091445,81.11347995,110.1888179,80.94954425,7.125587122,0,0,320.9745917,458.3780738,559.1602665,430.0055531,470.6305324,563.8059643,767.1437429,217.9881671,0,0,9.052890763,15.49514871,21.85049066,25.54355406,31.29479607,38.49674385,47.58940106,47.11612709,0,0,2.349128443,3.44667803,4.505470897,3.811576104,4.357542833,5.136880767,7.445300174,3.118039798,0,0,174.2204973,323.198552,448.3275374,592.6682741,734.75394,928.5664136,1023.797006,1296.814807,0,0,3.102857929,4.674278081,6.868699008,6.484860865,7.432496101,8.357030739,13.37225669,7.012931392,0,0,0.483935495,0.714694565,0.94434677,0.814408308,0.937447189,1.104539966,1.604670803,0.718124175,0,0,308.7574277,168.4768704,10.44777053,84.69121838,-46.21269043,-4.614101102,224.0662093,214.6895608,15.06187163,0.784746449,0.42820549,0.026554344,0.215253551,-0.117455457,-0.011727327,121.4801919,66.28699656,4.110661169,33.32164521,-18.18232048,-1.815411831,0.113723332,0.107325383,1.280538657,1.370346853,393.4486461,0,1,0,791.1409939,28.12722869,9.248783844,946.9828204,30.77308597,9.820057561,1465.980147,38.28812018,11.35993979,1.822908521,1.822908521,815.4129451,730.4346219,196.5280072,1.116339397,4.149092826,3.716694796,4.555499359,4.424210609,7.720528635,0.745063542,4.789172172,5.791950338,5.171228229,16.78511965,3.645184662,9.403700465,9.255931129,9.728516003,5.621182964,6.648314342,2.707489141,5.535392644,6.762216423,4.563567756,6.07E-04,4.32E-27,8.07E-72,3.02E-138,2.19E-226,0,0,0,0,0,0,0,0,0,0,0,0.402030846,5.717828658,0.362285957,10.08534472,0.994995386,1.785360577,1.456139792,1.67399423,1.452250154,0.533967708,0.07552023,0.573803268,0.559630549,0.032141584,4.28E-06,3.04E-29,5.69E-74,2.13E-140,1.54E-228,0,0,0,0,0,0,0,0,0,0,0,1.29753851,5.722782143,1.216106827,11.23558807,1.318568557,3.013092079,2.533340909,3.001804882,2.059504134,1.670253999,0.343641743,1.184557814,1.811744968,0.334940061,4.46E-05,3.17E-28,5.93E-73,2.22E-139,1.61E-227,0,0,0,0,0,0,0,0,0,0,0,4.520594024,5.783812613,4.831621503,16.29808236,3.406037668,8.821511199,8.596278016,9.123531395,5.279745914,6.23445358,2.451156343,5.089429303,6.377557996,4.066056712,5.41E-04,3.85E-27,7.19E-72,2.69E-138,1.95E-226,0,0,0,0,0,0,0,0,0,0,0,1.912276866,5.729204118,1.840170624,12.08972194,1.605238084,3.953083533,3.425690941,4.007218007,2.54872871,2.483469368,0.607605893,1.723187236,2.675428936,0.727534562,9.68E-05,6.88E-28,1.29E-72,4.82E-139,3.50E-227,0,0,0,0,0,0,0,0,0,0,0,5.78359673,5.826168254,6.479967922,18.67569311,4.617957402,11.69076742,11.90515356,12.09554729,6.983264705,8.225554665,3.764672867,7.348072475,8.192043079,6.655534672,8.86E-04,6.30E-27,1.18E-71,4.41E-138,3.20E-226,0,0,0,0,0,0,0,0,0,0,0,2.735602362,4.447519395,2.362444188,13.12079132,2.121480544,5.368580303,4.784878509,5.24434646,3.170908479,3.391481583,0.833250554,2.529103722,3.833284297,1.303342215,1.73E-04,1.23E-27,2.31E-72,8.63E-139,6.26E-227,0,0,0,0,0,0,0,0,0,0,0,6.182496169,1.679555759,0.800479298,0.713705499,0.193887412,0.538002365,0.525845682,0.317845859,8.662531226,16.67725686,33.65184268,0.570558248,1.381693906,4.599092975,0.950180896,0.376475981,0.77612,0.160347791,0.29772216,0.168260442,0.070300758,5.925749852,6.459138606,14.03007731,0.66418,0.536283361,5.168166977,1.212321159,0.52886314,0.74799598,0.175460924,0.375954492,0.273934871,0.138734661,6.909351276,9.63988317,19.86281491,0.62199397,0.788624023,6.13665988,1.658442218,0.788205339,0.714952823,0.193217152,0.53005482,0.51270546,0.308172861,8.583307438,16.32143692,32.92654326,0.572429234,1.350933141,5.445462719,1.340054115,0.603117352,0.737005322,0.181366959,0.417378386,0.334714365,0.18042948,7.388634187,11.38967767,23.17938868,0.605507983,0.93252223,6.328590569,1.746851013,0.839600171,0.709877838,0.195944232,0.563728293,0.56883724,0.34967418,8.915041752,17.83524698,36.03215664,0.564816758,1.482239713,6.139502007,1.660468924,0.788746074,0.714833427,0.193331428,0.530545898,0.513959488,0.308595686,8.588717005,16.34664874,32.97619996,0.57225014,1.353101072 +UMLYSI0067,L,1-ethenyl-2-methylbenzene,CC1=CC=CC=C1C=C,aromatic,C9H10,611-15-4,11904,PubChem,,408.1,0,2.3617,5.57762689,44.1649,22.50793,6,6,19,9,10,0,9,0,0,0,0,0,0,0,0,0,1308.537729,1419.447969,1772.575907,1689.86329,1030.094189,364.309513,50.54616,2.032128,0,4122.48956,4959.018279,6504.070143,6685.320067,5172.502385,2809.211802,779.3822711,62.16748886,0,135.049284,139.040964,216.584012,251.35012,255.954164,222.598756,115.411392,13.436928,0,29.54622905,36.2355431,49.15951627,52.38295072,44.45078518,27.94373394,9.565213598,0.88922581,0,2990.325725,2672.374682,4431.246741,5254.982775,5571.541385,5318.724796,3048.214771,369.835304,0,48.55555556,56.11111111,74,83.33333333,81.66666667,59,21,2,0,68.87040679,74.70778784,59.08586357,48.28180829,28.61372747,11.38467228,2.973303529,1.016064,0,216.9731347,261.0009621,216.8023381,191.0091448,143.6806218,87.78786882,45.84601595,31.08374443,0,7.107857053,7.317945474,7.219467067,7.181432,7.109837889,6.956211125,6.788905412,6.718464,0,1.555064687,1.907133847,1.638650542,1.496655735,1.234744033,0.873241686,0.562659623,0.444612905,0,157.3855645,140.651299,147.7082247,150.142365,154.7650385,166.2101499,179.3067513,184.917652,0,2.555555556,2.953216374,2.466666667,2.380952381,2.268518519,1.84375,1.235294118,1,0,0.05842429,-0.007610962,-0.012705023,0.004953911,-0.026246715,-0.012697971,0.018485727,0.006608888,0,573.4705689,3.77E-13,24.81685503,-132.4683478,-423.898713,-99.26742012,289.7535506,54.32879074,0,1066.393011,-4.26E-14,46.14800165,-246.3305493,-788.2577579,-184.5920066,538.8091003,101.0267063,0,0.112338947,9.37E-16,0.004861452,-0.02594964,-0.083038848,-0.019445806,0.056760731,0.010642637,0,4.767272928,8.33E-15,0.206303039,-1.101212168,-3.523878936,-0.825212156,2.408727374,0.451636383,0,25.89590221,5.55E-14,1.120641382,-5.981801972,-19.14176631,-4.482565528,13.08424533,2.453295999,0,6.304093567,-1.549707602,-0.456755925,0.609418283,-1.815943367,-2.558941213,2.137273007,0.482610034,0,0.003074963,-4.01E-04,-4.24E-04,1.42E-04,-7.29E-04,-3.97E-04,0.001087396,0.003304444,0,30.18266152,1.98E-14,0.827228501,-3.784809937,-11.77496425,-3.102106879,17.04432651,27.16439537,0,56.12594795,-2.24E-15,1.538266722,-7.038015695,-21.89604883,-5.768500206,31.69465296,50.51335315,0,0.005912576,4.93E-17,1.62E-04,-7.41E-04,-0.002306635,-6.08E-04,0.003338867,0.005321319,0,0.250909101,4.38E-16,0.006876768,-0.031463205,-0.097885526,-0.02578788,0.141689846,0.225818191,0,1.362942221,2.92E-15,0.037354713,-0.170908628,-0.531715731,-0.140080173,0.76966149,1.226647999,0,0.331794398,-0.081563558,-0.015225197,0.017411951,-0.050442871,-0.079966913,0.125721942,0.241305017,0,-0.130270508,-0.137725496,0.046029927,-0.237100578,-0.129045993,0.353628924,1.07462898,0,6.57E-16,0.027407407,-0.125396825,-0.390123457,-0.102777778,0.564705882,0.9,0,-4.00E-17,0.027407407,-0.125396825,-0.390123457,-0.102777778,0.564705882,0.9,0,8.34E-15,0.027407407,-0.125396825,-0.390123457,-0.102777778,0.564705882,0.9,0,1.75E-15,0.027407407,-0.125396825,-0.390123457,-0.102777778,0.564705882,0.9,0,2.14E-15,0.027407407,-0.125396825,-0.390123457,-0.102777778,0.564705882,0.9,0,-0.245825603,-0.045887446,0.052478134,-0.152030509,-0.241013451,0.378915202,0.727272727,0,1.115486222,0.982359529,0.85654922,1.211531132,1.172463919,0.541219167,0.010530621,0,1,0.95,1.085714286,1.319444444,1.009375,0.335294118,0,0,1,0.95,1.085714286,1.319444444,1.009375,0.335294118,0,0,1,0.95,1.085714286,1.319444444,1.009375,0.335294118,0,0,1,0.95,1.085714286,1.319444444,1.009375,0.335294118,0,0,1,0.95,1.085714286,1.319444444,1.009375,0.335294118,0,0,1.310760668,0.814285714,0.711555791,1.141233766,1.472257653,0.503874277,0,0,29.0845017,14.54225085,20.61852642,29.0845017,3.2316113,14.54225307,-3.55E-15,0.13978437,0.015531597,-1.770888833,58.84893901,6.538771001,3.667476424,29.0845017,14.54225085,20.61852642,29.0845017,3.2316113,14.54225307,-3.55E-15,0.13978437,0.015531597,-1.770888833,58.84893901,6.538771001,3.667476424,29.0845017,14.54225085,20.61852642,29.0845017,3.2316113,14.54225307,-3.55E-15,0.13978437,0.015531597,-1.770888833,58.84893901,6.538771001,3.667476424,29.0845017,14.54225085,20.61852642,29.0845017,3.2316113,14.54225307,-3.55E-15,0.13978437,0.015531597,-1.770888833,58.84893901,6.538771001,3.667476424,29.0845017,14.54225085,20.61852642,29.0845017,3.2316113,14.54225307,-3.55E-15,0.13978437,0.015531597,-1.770888833,58.84893901,6.538771001,3.667476424,29.0845017,14.54225085,20.61852642,29.0845017,3.2316113,14.54225307,-3.55E-15,0.13978437,0.015531597,-1.770888833,58.84893901,6.538771001,3.667476424,35.64857189,17.50289536,25.13600443,35.51825639,3.946472932,17.50289547,-0.234567901,0.121231532,0.01347017,-1.89904777,96.83153552,10.7590595,4.115675449,0,11.79,12.2100686,-0.290586768,0.131092941,5.611225517,8.927131319,9,19,15,12,2,4,1,0,0,7,10.93207,3.822146991,3.119567804,2.866237057,2.467655696,2.013900938,1.13229887,0.758283436,0.7013925,1.992136786,1.514362031,1.412010102,0.995144806,0.729771968,0.404220183,0.239398036,0.006977885,3.832107441,3.143181243,2.898115313,2.499438786,2.069267288,1.233761787,0.88312121,0.820679667,1.963555347,1.451142197,1.327661312,0.913142361,0.634101703,0.251832869,0.071745616,0.129905982,3.877983936,3.252491481,3.050218889,2.64768,2.297708466,1.659265912,1.397318801,1.286509299,1.887610559,1.275351224,1.082525068,0.678664649,0.340551401,0.261613934,0.510057185,0.631283986,3.839547379,3.160875904,2.922293066,2.523350334,2.109255701,1.307839359,0.974285307,0.905181766,1.946141895,1.411756518,1.273818217,0.86136145,0.572472889,0.149400098,0.042058478,0.22520449,3.901780806,3.308837102,3.129869915,2.723911933,2.400885108,1.848515136,1.617379286,1.481028197,1.86600588,1.22396478,1.010032306,0.608950532,0.242097866,0.444196585,0.725249333,0.822911724,3.795645364,3.315169962,2.904090409,2.548711366,2.118421409,1.393896084,1.033027903,0.931281126,1.992753637,1.291221811,1.259230056,0.8232146,0.549376706,0.062126746,0.119246097,0.254797473,0,0,1,5,2,1,0,0,0,0,0,0,0.083333333,0.142258898,0,0,0,0.027777778,0.043815285,0.402368927,0,0.11785113,0,0.227670901,0,0.048112522,0,1.069035594,1.408291245,1.304737854,0.488483943,0.509788457,0.393697344,6.690234444,4.342535255,3.43006888,2.813496153,1.999552237,1.209772801,0.469913203,0.176776695,0.743359383,0.482503917,0.311824444,0.216422781,0.153811711,0.1008144,0.078318867,0.058925565,5.593858127,3.024273694,2.060712161,1.408374583,0.815816676,0.403491938,0.129952886,0.038717968,0.621539792,0.33603041,0.187337469,0.108336506,0.062755129,0.033624328,0.021658814,0.012905989,11.70913902,18.43918427,17.62745098,17.8,12.99277246,142.1120539,0.616270475,0.970483383,0.927760578,0.936842105,0.683830129,7.479581784,2.17491,39.111,37.21619288,52.5703477,74.43238575,8.270265084,37.21619288,0.046958593,0.005217621,-2.752640152,68.11258832,7.568065368,3.799045842,67,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,4,0,0,0,1,6,0,0,0,0,0,0,0,0,1,1,0,0,1,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.25296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.44,0.434375,1.730972222,0,0,0,0.434375,2.605347222,0,0,0,0,0,0,0,0,2.08037037,3.691759259,0,0,1.87037037,8.186203704,0,0,0,0,2.50462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.219907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.44,0.434375,0.422222222,0,0,0,0.434375,0.422222222,0,0,0,0,0,0,0,0,2.08037037,3.691759259,0,0,1.87037037,2.01787037,0,0,0,0,1.219907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.691759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.44,0.434375,0.44,0,0,0,0.434375,0.44,0,0,0,0,0,0,0,0,2.08037037,3.691759259,0,0,1.87037037,2.08037037,0,0,0,0,1.284722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.33333333,2.037037037,0.44,3.691759259,0.1875,1.219907407,5.545003981,0.446759259,0.691759259,1.916666667,0.446759259,0.691759259,1.916666667,4.5,0.5,0,0,0.48947,0.7,0.43333,0.43333,0.7,0.05614,0.05614,0,0,0.71429,0,0,0.22222,0.22222,0,12,1.33333,4.5,0.5,7.5,0.83333,3,0.33333,0,0,4.1088,0.45653,9.99821,5.88942,0.65438,1.72209,0.19134,4.34252,2.62043,0.29116,0.07148,0.00794,0.15748,0.0175,0.315789474,9,0,0,0,0,0,0,0.111111111,0.998000884,2.352347912,3.031116172,3.642149882,3.892407119,3.787143961,18.96201679,44.69461032,57.59120728,69.20084775,73.95573525,71.95573525,0.234938304,0.553763666,0.713551764,0.857394546,0.91630733,0.891527445,3.24992663,1.895579602,1.216811341,0.605777632,0.355520395,0.460783553,0.220622795,0.520021155,0.670072877,0.805150878,0.860473927,0.837203955,6.618775012,17.77235842,22.42215617,25.78884257,26.04105808,24.77790019,32.44785067,25.54762712,20.09652009,15.72679058,15.1361115,16.55585519,7.111111111,3.239669421,1.704142012,1,8,0,2.45,1.0961,0.25,3.377018974,2.149139864,0,5.085675265,5.676240019,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.152,0.148,0.569,0.799,4.288,11,13,13,12,6,3,1,0,0,77,2.63905733,3.113515309,3.630985476,4.040855877,4.385925275,3.944006051,3.662760043,2.784239339,0,0,5.769004356,4.145698052,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,2,0.222222222,0,3,5,0.666666667,1.5,1.111111111,0.5,0.262222222,0.0625,0,0,0,0,0,0.166666667,0.101010101,0.05,0.052444444,0.0625,0,0,0,0,0,0.432621212,19.67321585,27.79929374,39.34643171,4.371825745,19.67321587,0.085014734,0.009446082,-2.218437623,74.26283141,8.251425712,3.876849519,0,130.4180268,4.169925001,3.713572067,4.48863637,5.283203729,6.075346031,6.874198495,7.669961995,8.469472455,9.266058861,10.06564892,79.90609892,2.944438979,0,4.143134726,0,5.579729826,0,7.115582126,0,8.689296048,8.925587339,118.0782503,6.214644754,17.54892744,1.949880827,0,0,0,86,10,3.329,40,1.226594934,2.171466562,3.027563492,3.824506001,4.50543358,5.223570015,6.354639827,0,0,0,100.1217143,137.5278142,151.7863774,115.6472349,53.77916911,16.11322203,6.456720761,0,0,0,339.9685791,494.8198241,595.1134162,566.9014608,406.5182988,243.8692674,197.5260003,0,0,0,9.00330732,15.72201607,21.78358123,27.22961349,31.3813726,35.4832677,42.69341891,0,0,0,2.446851718,3.697977632,4.636317062,4.827371663,4.013311607,2.974191784,2.825354873,0,0,0,170.831694,317.6312197,451.5452429,589.1884449,745.6957692,934.953032,1175.085076,0,0,0,3.720619789,5.514267089,7.356706093,8.834852142,8.431288058,6.547354017,6.354639827,0,0,0,0.502468334,0.765361521,0.966869157,1.022147306,0.871479981,0.668954221,0.650715118,0,0,0,237.5465543,118.7771506,11.92091019,97.36502492,-48.6841001,-6.091439067,140.1815294,167.4612507,18.01234925,0.709281402,0.354652266,0.035594201,0.290718598,-0.14536404,-0.018188201,79.55709165,39.77984308,3.992450856,32.60867426,-16.30486885,-2.040093478,0.124699593,0.196248586,2.460680498,3.69688028,334.9115792,0,1,0,701.7521784,26.49060547,8.886442255,800.1087252,28.28619319,9.283598196,1190.300242,34.50072813,10.59787617,1.394650811,1.377580835,462.0775059,303.7727846,181.3324936,1.521128717,2.54823334,1.675225319,3.956624457,3.821429894,7.024636473,0.838221992,3.360756864,2.013170614,4.096042581,7.226571341,1.167768891,4.940742127,5.388786146,8.125157704,1.775463983,3.279793893,2.415348237,0.24621394,0.941109688,1.54E-10,4.83E-42,2.93E-95,3.43E-170,7.75E-267,0,0,0,0,0,0,0,0,0,0,0,0,0.282176059,2.013108982,0.299569497,2.386608091,0.458592976,1.33358995,1.141594889,1.408011714,0.256649726,0.136613264,0.12612406,0.001734105,0.006628312,1.08E-12,3.40E-44,2.07E-97,2.42E-172,5.46E-269,0,0,0,0,0,0,0,0,0,0,0,0,0.910580034,2.013113326,0.995120366,2.969127706,0.532645276,1.763042123,1.99434451,2.506228671,0.486348021,0.532356212,0.457604178,0.01807071,0.069072127,1.13E-11,3.55E-43,2.15E-96,2.52E-171,5.69E-268,0,0,0,0,0,0,0,0,0,0,0,0,3.172288353,2.013163927,3.835539587,6.786848069,1.099340342,4.61136344,5.123755247,7.617397366,1.654067265,3.000398021,2.227162264,0.219372187,0.838511789,1.37E-10,4.30E-42,2.61E-95,3.06E-170,6.91E-267,0,0,0,0,0,0,0,0,0,0,0,0,1.341959663,2.013118754,1.496166833,3.48938677,0.604473821,2.148956057,2.583944486,3.341148579,0.66787858,0.877018471,0.725476522,0.039251997,0.150033889,2.45E-11,7.70E-43,4.67E-96,5.47E-171,1.24E-267,0,0,0,0,0,0,0,0,0,0,0,0,4.05857093,2.013198681,5.09245704,9.017516096,1.44952974,6.283535129,6.375777121,10.11478129,2.257205617,4.413021908,3.166663487,0.359079891,1.372520033,2.24E-10,7.05E-42,4.28E-95,5.01E-170,1.13E-266,0,0,0,0,0,0,0,0,0,0,0,0,1.793670388,1.734919043,1.802565586,3.623818894,0.864037254,2.356664297,2.939517836,4.360091982,1.100578822,1.274469612,1.095462579,0.059335525,0.226799657,3.70E-11,1.16E-42,7.07E-96,8.27E-171,1.87E-267,0,0,0,0,0,0,0,0,0,0,0,0,3.491963159,2.475911303,0.306113863,0.556577886,0.394631162,0.48261861,0.517778338,0.280618801,6.273988325,10.47264016,19.39322499,0.426813572,1.281015749,2.49969881,1.452913493,0.098393415,0.617056352,0.358655009,0.247429397,0.178050247,0.026542246,4.051005717,4.02075715,8.42911261,0.463567042,0.452021891,2.828317714,1.791352274,0.167632796,0.590795661,0.374188213,0.31669825,0.270733983,0.080236176,4.787302784,5.840921564,11.47753815,0.447475811,0.667668408,3.459544267,2.442450025,0.299376123,0.557867703,0.393856496,0.473704681,0.503849351,0.267951262,6.201370415,10.21668015,18.94770815,0.427586299,1.245505295,2.999168529,1.967482362,0.20341766,0.580102275,0.380552471,0.356085328,0.326677451,0.12000267,5.170068551,6.911115684,13.28151344,0.440982119,0.80276545,3.596977837,2.584312923,0.327925526,0.552597683,0.397023668,0.512063821,0.564210951,0.323686977,6.509216287,11.32271933,20.88023828,0.424432026,1.399961749,3.471688613,2.439133224,0.298953734,0.55906829,0.392789272,0.476006066,0.500597619,0.267672178,6.209775571,10.2349733,18.9762625,0.427786343,1.244275863 +UMLYSI0068,L,"1,2,3,4-tetramethylbenzene",CC1=C(C(=C(C=C1)C)C)C,aromatic,C10H14,488-23-3,10263,PubChem,,393,0,3.189,10.169721,48.0838,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2225.60387,2383.926398,1452.821334,498.674905,97.028064,9.144576,0,4670.34144,5841.481647,8138.02742,9402.41886,8234.961463,4618.93496,1434.429565,279.7536999,0,169.463656,175.052008,300.070904,325.814648,427.200216,454.619044,203.948928,60.466176,0,34.11358067,43.47862034,62.19666382,72.8955422,72.85120431,49.08095535,17.35197558,4.001516144,0,3856.790689,3411.659229,6444.093573,6553.715069,9220.154339,11319.76903,5356.758935,1664.258868,0,49.11111111,60.33333333,86.22222222,104.4444444,120,93,36,9,0,60.70275442,67.17251842,52.99056833,52.97614218,24.2136889,7.555680379,3.2342688,1.016064,0,194.59756,243.3950686,193.7625576,208.9426413,137.2493577,69.98386303,47.81431882,31.08374443,0,7.060985667,7.293833667,7.144545333,7.240325511,7.1200036,6.888167333,6.7982976,6.718464,0,1.421399194,1.811609181,1.480872948,1.619900938,1.214186738,0.743650839,0.578399186,0.444612905,0,160.6996121,142.1524679,153.4307994,145.6381126,153.669239,171.5116519,178.5586312,184.917652,0,2.046296296,2.513888889,2.052910053,2.320987654,2,1.409090909,1.2,1,0,0.038346943,0.001951,0.01105773,-0.016371542,-0.047873149,0.007484154,0.017641948,0.006936387,0,706.2183858,-7.82E-14,358.15361,-285.0095629,-1039.149911,95.84392379,327.8871077,189.1656391,0,1313.243245,1.28E-13,666.0019314,-529.9874525,-1932.343632,178.225869,609.7200781,351.7615835,0,0.138343333,2.23E-15,0.070159833,-0.055831417,-0.203562333,0.018775167,0.064230833,0.03705625,0,5.870808328,1.39E-14,2.977338509,-2.369290504,-8.638475112,0.796752559,2.725732438,1.572537945,0,31.89032402,-1.07E-13,16.17295004,-12.87002362,-46.92433391,4.327972545,14.80622186,8.542051076,0,4.648148148,-1.37037037,2.513888889,-0.020833333,-6.583333333,0.217592593,1.74537037,1.173611111,0,0.001597789,8.13E-05,2.63E-04,-3.64E-04,-7.98E-04,1.13E-04,5.88E-04,7.71E-04,0,29.42576608,-3.26E-15,8.527466904,-6.333545841,-17.31916518,1.452180664,10.92957026,21.01840434,0,54.71846854,5.33E-15,15.85718884,-11.77749894,-32.2057272,2.700391954,20.3240026,39.08462039,0,0.005764306,9.28E-17,0.001670472,-0.001240698,-0.003392706,2.84E-04,0.002141028,0.004117361,0,0.244617014,5.81E-16,0.070889012,-0.0526509,-0.143974585,0.012072008,0.090857748,0.174726438,0,1.328763501,-4.44E-15,0.385070239,-0.286000525,-0.782072232,0.065575342,0.493540729,0.949116786,0,0.19367284,-0.057098765,0.059854497,-4.63E-04,-0.109722222,0.003296857,0.058179012,0.130401235,0,0.050877596,0.164777229,-0.227697139,-0.499368616,0.070970735,0.368049111,0.482360052,0,-1.11E-16,0.289795918,-0.215238095,-0.588571429,0.049350649,0.371428571,0.714285714,0,9.74E-17,0.289795918,-0.215238095,-0.588571429,0.049350649,0.371428571,0.714285714,0,1.61E-14,0.289795918,-0.215238095,-0.588571429,0.049350649,0.371428571,0.714285714,0,2.37E-15,0.289795918,-0.215238095,-0.588571429,0.049350649,0.371428571,0.714285714,0,-3.34E-15,0.289795918,-0.215238095,-0.588571429,0.049350649,0.371428571,0.714285714,0,-0.294820717,0.309049516,-0.002390438,-0.566533865,0.017022818,0.300398406,0.673306773,0,1.042489875,0.853117715,1.398634313,1.53212258,0.75820756,0.341390039,0,0,1.15,0.751020408,1.314285714,1.577142857,0.776623377,0.394285714,0,0,1.15,0.751020408,1.314285714,1.577142857,0.776623377,0.394285714,0,0,1.15,0.751020408,1.314285714,1.577142857,0.776623377,0.394285714,0,0,1.15,0.751020408,1.314285714,1.577142857,0.776623377,0.394285714,0,0,1.15,0.751020408,1.314285714,1.577142857,0.776623377,0.394285714,0,0,1.511952191,0.549800797,1.014077025,1.667729084,0.849692141,0.494820717,0,0,35.33244653,17.66622327,23.70303142,35.33244653,3.533244653,17.66622336,-2.49E-14,3.61E-16,3.61E-17,-35.55814557,44.91843988,4.491843988,3.804848398,35.33244653,17.66622327,23.70303142,35.33244653,3.533244653,17.66622336,-2.49E-14,3.61E-16,3.61E-17,-35.55814557,44.91843988,4.491843988,3.804848398,35.33244653,17.66622327,23.70303142,35.33244653,3.533244653,17.66622336,-2.49E-14,3.61E-16,3.61E-17,-35.55814557,44.91843988,4.491843988,3.804848398,35.33244653,17.66622327,23.70303142,35.33244653,3.533244653,17.66622336,-2.49E-14,3.61E-16,3.61E-17,-35.55814557,44.91843988,4.491843988,3.804848398,35.33244653,17.66622327,23.70303142,35.33244653,3.533244653,17.66622336,-2.49E-14,3.61E-16,3.61E-17,-35.55814557,44.91843988,4.491843988,3.804848398,35.33244653,17.66622327,23.70303142,35.33244653,3.533244653,17.66622336,-2.49E-14,3.61E-16,3.61E-17,-35.55814557,44.91843988,4.491843988,3.804848398,39.97889398,19.7763426,26.92250745,39.94149166,3.994149166,19.77634261,-0.08,0.001201837,1.20E-04,-6.723904361,46.22418591,4.622418591,3.833503166,0,11.85,12.1501118,-0.208324148,0.091801547,6.31734375,9.073764748,10,24,21,18,4,3,0,0,0,6,15.304898,3.86608836,3.074108768,2.930341262,2.526189969,2.414345328,1.752003504,1.727886093,0.642274226,2.026218595,1.543722231,1.457339391,1.342058293,1.191515532,0.529337856,0.493106069,0.083923071,3.874881016,3.100516907,2.960308976,2.58738709,2.473602253,1.816107662,1.789198531,0.75812932,1.997853511,1.467781577,1.373278009,1.235749843,1.092367894,0.418650007,0.40848047,0.259512969,3.916338787,3.227667877,3.104192224,2.847252568,2.724040832,2.071891253,2.041320332,1.215779999,1.925239687,1.254997295,1.135020999,0.896989736,0.771663849,0.117830704,0.088644508,0.705413466,3.881496846,3.12059166,2.983069863,2.632047319,2.516796779,1.861974594,1.833409531,0.841353756,1.98083883,1.420105698,1.320218527,1.165802121,1.02672174,0.351281176,0.348173596,0.338064813,3.938468372,3.29530796,3.180415135,2.967233885,2.838709674,2.181157343,2.155493005,1.400331531,1.905361359,1.193850758,1.06599297,0.78304047,0.662390182,0.011177143,0.020019443,0.890545473,3.856848636,3.137099096,3.030759072,2.718776455,2.610219652,1.892529733,1.877120783,0.913836778,1.996651788,1.372262947,1.246089781,1.065150334,0.923017701,0.323420728,0.288749583,0.392438371,0,0,0,2,4,4,0,0,0,0,0,0,0.055555556,0.222222222,0,0,0,0.020833333,0.083333333,0.8563047,0,0.383276638,0,0.538675135,0,0.206837567,0,2.341091489,2.755763801,3.510558351,1.369016936,1.421848152,1.577350269,7.723614639,4.625897658,4.25015155,3.701831787,2.087989615,1.345596221,0.636894534,0.166666667,0.772361464,0.462589766,0.303582254,0.217754811,0.130499351,0.084099764,0.063689453,0.055555556,7.154700538,3.660683603,2.949358737,2.328846035,1.091506351,0.593002117,0.25,0.0625,0.715470054,0.36606836,0.210668481,0.136990943,0.068219147,0.037062632,0.025,0.020833333,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,1.79868,41.002,42.11558273,54.12612461,84.23116546,8.423116546,42.11558273,4.44E-16,4.44E-17,-35.35050621,55.74143817,5.574143817,4.020723823,76,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,2,0,0,0,0,0,0,0,0,4,0,0,0,0,2,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.00111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.761944444,0,0,0,0,0.761944444,0,0,0,0,0,0,0,0,8.665555556,0,0,0,0,4.356481481,0,0,0,0,5.64462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.391759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0,0,0,0.380972222,0,0,0,0,0,0,0,0,2.154537037,0,0,0,0,2.178240741,0,0,0,0,1.391759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.178240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0,0,0,0.380972222,0,0,0,0,0,0,0,0,2.178240741,0,0,0,0,2.178240741,0,0,0,0,1.430555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.66666667,1.866666667,0.380972222,2.178240741,0.116319444,1.391759259,6.175033889,0.274907407,0.178240741,2.044074074,0.274907407,0.178240741,2.044074074,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.4,0.4,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.70126,0.77013,12.65295,4.95169,0.49517,2.41574,0.24157,4.62587,2.21014,0.22101,0.28813,0.02881,0.37413,0.03741,0.25,10,0,0,0,0,0,0,0.4,0.979868757,1.959147917,2.125814584,2.29248125,2.79248125,2.79248125,23.51685016,47.01955001,51.01955001,55.01955001,67.01955001,67.01955001,0.213713581,0.427298569,0.463649285,0.5,0.609052146,0.609052146,3.605093744,2.625814584,2.459147917,2.29248125,1.79248125,1.79248125,0.206076118,0.412028238,0.44707989,0.482131543,0.587286502,0.587286502,6.772325919,14.7298096,16.7298096,18.7298096,19.23372211,19.23372211,37.92632204,30.86215626,27.69223126,24.52230625,24.52230625,24.52230625,8.1,2.93877551,1.55017301,0,6,0,2.56,1.28,1.668817935,2.746356192,7.883079778,0,1,4.298279727,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.088,0.481,0.688,4.848,14,17,16,16,10,3,0,0,0,96,2.63905733,3.277144733,3.778491613,4.141148628,4.541298109,4.274928499,3.168897455,0,0,0,5.830690418,3.537434896,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.4,0,3,5,0.666666667,2.5,2,0.875,0.524444444,0,0,0,0,0,0,0.25,0.142857143,0.0625,0.087407407,0,0,0,0,0,0,0.54276455,22.38592246,30.81456194,44.77184491,4.477184491,22.38592246,5.00E-16,5.00E-17,-35.23272317,42.18307695,4.218307695,3.742019121,0,150.3504702,4.321928095,3.891820298,4.709530201,5.549076085,6.385194399,7.22620901,8.065579427,8.90666441,9.74689222,10.58782101,85.06878706,3.044522438,0,4.343805422,0,5.860786223,0,7.471363088,0,9.122710622,9.338997404,134.1095504,5.587897935,19.22532837,1.922532837,0,0,0,109,14,3.65,48,1.234762656,2.136286397,3.076576182,3.799060094,4.377213257,5.802564583,6.552566751,0,0,0,92.46115255,126.2257952,172.6171713,101.2701606,38.70682904,19.47390442,6.657827183,0,0,0,322.7760344,449.4313647,666.1560596,547.5869914,335.2723585,282.7770203,203.6783102,0,0,0,9.03661301,15.33641161,22.3114192,27.10726185,30.26836288,39.47300057,44.02318382,0,0,0,2.357580245,3.375067083,5.113386499,4.771451803,3.47088135,3.398830828,2.913355737,0,0,0,173.6281861,322.578945,445.7260584,579.6521705,741.5378524,1034.07163,1211.685258,0,0,0,3.194995143,4.601016549,7.29049443,7.770231032,6.472098507,7.026809291,6.552566751,0,0,0,0.485493369,0.699861528,1.062734701,1.013251001,0.759959437,0.762638685,0.670982835,0,0,0,300.4174155,137.3697178,9.88395895,99.40918726,-45.45612636,-4.536823692,201.0082282,182.8258441,14.42078264,0.751369252,0.343573231,0.024720614,0.248630748,-0.1136896,-0.011346978,120.1148746,54.92406758,3.951869729,39.74643763,-18.17456858,-1.813942804,0.135669539,0.127550598,3.232387278,1.676721019,399.8266028,0,1,0,733.4098266,27.08154033,9.018110965,869.4529563,29.48648769,9.544401409,1326.978677,36.42771853,10.9889108,1.401189173,1.380747812,623.5093488,394.2647408,242.7310989,1.581448413,2.568724616,1.624286062,4.27907042,4.288153178,6.664765497,0.554227478,4.068044056,5.849592127,7.414163714,11.84599185,2.170232746,4.161435662,9.574914906,8.790058298,3.775262925,8.284653087,2.451060082,2.574079702,2.73E-05,7.61E-31,4.94E-78,6.44E-147,1.67E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,0.341512356,4.876977926,0.306571399,7.255657378,0.886922934,0.56293831,0.915481107,0.55199714,1.389157888,0.317688322,0.129364959,0.018130078,1.93E-07,5.36E-33,3.48E-80,4.54E-149,1.17E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,1.102176923,4.94197035,1.196998069,8.043898828,1.010293532,1.247607553,2.679816282,1.9035328,1.860022487,1.20507882,0.467855704,0.18892449,2.01E-06,5.58E-32,3.62E-79,4.73E-148,1.22E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,3.839908455,5.742807755,6.78079655,11.51235427,2.042644322,3.92349914,9.043644413,8.168977034,3.62345969,7.535545206,2.261021618,2.293459101,2.44E-05,6.78E-31,4.40E-78,5.74E-147,1.48E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,1.624349301,5.026236067,1.974637806,8.629166949,1.136130938,1.732416223,3.891939054,2.92931188,2.188063511,2.033620535,0.740427018,0.410367701,4.36E-06,1.21E-31,7.87E-79,1.03E-147,2.65E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.912727499,6.298605917,9.984330066,13.14104833,2.698299593,5.062435376,11.54327179,11.222207,4.343825232,11.35503522,3.209080587,3.754051294,3.99E-05,1.11E-30,7.20E-78,9.39E-147,2.43E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,2.335014304,4.887965987,2.818577711,9.129813534,1.417910996,2.354250379,5.268687104,4.208225859,2.810436307,3.224387025,1.121813862,0.738736937,7.85E-06,2.18E-31,1.42E-78,1.85E-147,4.78E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.459063589,2.718822548,0.278742959,0.597999918,0.364618182,0.561871519,0.55573595,0.333324277,7.456629096,14.12418785,24.96013006,0.443927151,1.450931747,2.889561782,1.792668771,0.050248333,0.610581019,0.378801219,0.235943286,0.241412812,0.010831774,4.732478887,5.41530145,10.40806807,0.484073357,0.488187872,3.446984207,2.121650915,0.131404843,0.604729831,0.372216849,0.335750902,0.338285382,0.07407647,5.700039964,8.045042817,14.70608545,0.465420021,0.748112754,4.412808745,2.691532688,0.27200943,0.598237371,0.364886749,0.550274264,0.54462877,0.317414672,7.376350863,13.80966685,24.41673328,0.44468618,1.412317707,3.721287779,2.283515969,0.171339114,0.602526182,0.369731727,0.391315245,0.391925144,0.125942143,6.176142861,9.526477821,17.15859538,0.458386864,0.909182532,4.606824878,2.805998915,0.300253133,0.597274593,0.363797605,0.599729423,0.591968136,0.386753641,7.713076926,15.15246917,26.74684196,0.441608297,1.578451199,4.41663043,2.695280839,0.271766615,0.598161309,0.365032289,0.551227584,0.546144957,0.316848222,7.383677884,13.83683943,24.45564323,0.444790397,1.414220762 +UMLYSI0069,L,"1,2,4,5-tetramethylbenzene",CC1=CC(=C(C=C1C)C)C,aromatic,C10H14,95-93-2,7269,PubChem,,393,0,3.189,10.169721,48.0838,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2225.60387,2262.860389,1386.27519,610.596338,163.574208,18.289152,0,4670.34144,5841.481647,8138.02742,9177.291447,7733.044231,4564.308674,1936.346796,559.5073998,0,169.463656,175.052008,300.070904,325.790932,424.805208,394.176584,206.343936,120.932352,0,34.11358067,43.47862034,62.19666382,71.88911792,68.83761588,46.08586349,21.36556401,8.003032287,0,3856.790689,3411.659229,6444.093573,6548.248156,9410.924965,9660.97707,5165.988309,3328.517736,0,49.11111111,60.22222222,86.88888889,105.5555556,113.3333333,83,42,18,0,60.70275442,67.17251842,52.99056833,50.28578642,23.1045865,10.71221646,5.4524736,1.016064,0,194.59756,243.3950686,193.7625576,203.9398099,128.8840705,80.07559077,64.54489321,31.08374443,0,7.060985667,7.293833667,7.144545333,7.239798489,7.0800868,6.915378667,6.8781312,6.718464,0,1.421399194,1.811609181,1.480872948,1.597535954,1.147293598,0.808523921,0.712185467,0.444612905,0,160.6996121,142.1524679,153.4307994,145.5166257,156.8487494,169.4908258,172.1996103,184.917652,0,2.046296296,2.509259259,2.068783069,2.345679012,1.888888889,1.456140351,1.4,1,0,0.038317988,0.002360597,0.012874355,-0.028962901,-0.032763149,0.01272953,7.30E-04,0.013872774,0,706.2183858,-7.82E-14,358.15361,-406.0755719,-736.4848881,27.74429373,25.22208521,378.3312781,0,1313.243245,7.11E-14,666.0019314,-755.1148659,-1369.525098,51.59169891,46.90154447,703.523167,0,0.138343333,2.23E-15,0.070159833,-0.079547417,-0.144272333,0.005434917,0.004940833,0.0741125,0,5.870808328,1.39E-14,2.977338509,-3.375714789,-6.122414399,0.230638899,0.209671726,3.14507589,0,31.89032402,-1.07E-13,16.17295004,-18.33693631,-33.25705219,1.252834158,1.138940143,17.08410215,0,4.648148148,-1.481481481,3.180555556,-1.631944444,-5.083333333,0.766203704,-0.421296296,2.347222222,0,0.001596583,9.84E-05,3.07E-04,-6.44E-04,-5.46E-04,2.23E-04,2.43E-05,7.71E-04,0,29.42576608,-3.26E-15,8.527466904,-9.023901597,-12.27474813,0.486741995,0.840736174,21.01840434,0,54.71846854,2.96E-15,15.85718884,-16.78033035,-22.82541831,0.905117525,1.563384816,39.08462039,0,0.005764306,9.28E-17,0.001670472,-0.00176772,-0.002404539,9.53E-05,1.65E-04,0.004117361,0,0.244617014,5.81E-16,0.070889012,-0.075015884,-0.10204024,0.004046296,0.006989058,0.174726438,0,1.328763501,-4.44E-15,0.385070239,-0.407487474,-0.554284203,0.021979547,0.037964671,0.949116786,0,0.19367284,-0.061728395,0.075727513,-0.036265432,-0.084722222,0.01344217,-0.01404321,0.130401235,0,0.061605442,0.191992704,-0.403123485,-0.342013254,0.139876923,0.015236723,0.482724533,0,-1.11E-16,0.289795918,-0.306666667,-0.417142857,0.016541353,0.028571429,0.714285714,0,5.41E-17,0.289795918,-0.306666667,-0.417142857,0.016541353,0.028571429,0.714285714,0,1.61E-14,0.289795918,-0.306666667,-0.417142857,0.016541353,0.028571429,0.714285714,0,2.37E-15,0.289795918,-0.306666667,-0.417142857,0.016541353,0.028571429,0.714285714,0,-3.34E-15,0.289795918,-0.306666667,-0.417142857,0.016541353,0.028571429,0.714285714,0,-0.3187251,0.391007399,-0.187250996,-0.437450199,0.069406584,-0.07250996,0.673306773,0,1.030876253,0.836871806,1.60925524,1.44302212,0.71653481,0.542335231,0,0,1.15,0.751020408,1.401904762,1.38,0.830075188,0.788571429,0,0,1.15,0.751020408,1.401904762,1.38,0.830075188,0.788571429,0,0,1.15,0.751020408,1.401904762,1.38,0.830075188,0.788571429,0,0,1.15,0.751020408,1.401904762,1.38,0.830075188,0.788571429,0,0,1.15,0.751020408,1.401904762,1.38,0.830075188,0.788571429,0,0,1.534860558,0.471257826,1.295086321,1.475298805,0.752358985,0.989641434,0,0,36,18,24.51466792,36,3.6,18.00000007,-1.07E-14,9.44E-16,9.44E-17,-34.59673441,4000018.715,400001.8715,15.2018096,36,18,24.51466792,36,3.6,18.00000007,-1.07E-14,9.44E-16,9.44E-17,-34.59673441,4000018.715,400001.8715,15.2018096,36,18,24.51466792,36,3.6,18.00000007,-1.07E-14,9.44E-16,9.44E-17,-34.59673441,4000018.715,400001.8715,15.2018096,36,18,24.51466792,36,3.6,18.00000007,-1.07E-14,9.44E-16,9.44E-17,-34.59673441,4000018.715,400001.8715,15.2018096,36,18,24.51466792,36,3.6,18.00000007,-1.07E-14,9.44E-16,9.44E-17,-34.59673441,4000018.715,400001.8715,15.2018096,36,18,24.51466792,36,3.6,18.00000007,-1.07E-14,9.44E-16,9.44E-17,-34.59673441,4000018.715,400001.8715,15.2018096,39.09766998,19.50232735,26.30751866,39.04966998,3.904966998,19.50232736,-0.08,6.66E-16,6.66E-17,-34.9450411,4000018.506,400001.8506,15.20180955,0,11.89,12.11015511,-0.153431754,0.066858297,6.312699899,8.607294594,10,24,21,18,4,3,0,0,0,6,15.304898,3.862770856,3.114235642,2.903468527,2.566614454,2.189069102,2.102850254,1.553095134,0.645175736,2.024941693,1.565186434,1.451474268,1.358662834,1.054437144,0.852950413,0.14224982,0.016161325,3.871763401,3.139304727,2.935002402,2.625173334,2.257129552,2.16174716,1.610684582,0.758777258,1.996396445,1.491549968,1.365362209,1.254330536,0.947312247,0.755735327,0.087454335,0.164042062,3.913989313,3.260496293,3.086146585,2.875597779,2.5409734,2.404410502,1.831989888,1.225764335,1.923022514,1.286650949,1.118405945,0.923822882,0.594250283,0.449739378,0.130226725,0.689807692,3.878520409,3.158384812,2.958950779,2.668013134,2.306527111,2.204278377,1.651463849,0.841373131,1.979246793,1.445452089,1.310745307,1.185826545,0.875852857,0.692375982,0.048028671,0.265680113,3.936429632,3.325297431,3.165790854,2.992074991,2.668882254,2.513371404,1.920562246,1.42626671,1.902834005,1.228184919,1.046098212,0.813469983,0.471673676,0.345445867,0.21900988,0.885890198,3.85666104,3.165925463,3.00821033,2.750433156,2.398074093,2.288356443,1.646882495,0.916023159,1.990576088,1.405474031,1.235442893,1.088063087,0.778380093,0.60342767,0.069703997,0.354787394,0,0,0,2,4,4,0,0,0,0,0,0,0.055555556,0.222222222,0,0,0,0.020833333,0.083333333,0.942809042,0,0.333333333,0,0.577350269,0,0.166666667,0,2.153806762,2.172732147,3.373594683,1.199358737,1.05502117,1.482852386,7.723614639,4.609060905,4.380540058,3.429949137,2.102101648,1.576834247,0.601579285,0.111111111,0.772361464,0.460906091,0.312895718,0.214371821,0.131381353,0.087601903,0.060157928,0.055555556,7.154700538,3.654700538,3.020725942,2.11004234,1.104860854,0.724679369,0.23883545,0.041666667,0.715470054,0.365470054,0.215766139,0.131877646,0.069053803,0.040259965,0.023883545,0.020833333,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,1.79868,41.002,41.71394906,54.79671159,83.42789812,8.342789812,41.71394906,1.67E-16,1.67E-17,-36.33133546,4000017.58,400001.758,15.20180931,80,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,2,0,0,0,0,0,0,0,0,4,0,0,0,0,2,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.726388889,0,0,0,0,0.726388889,0,0,0,0,0,0,0,0,8.618148148,0,0,0,0,4.481481481,0,0,0,0,5.567037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.391759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0,0.363194444,0,0,0,0,0,0,0,0,2.154537037,0,0,0,0,2.240740741,0,0,0,0,1.391759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.240740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0,0.363194444,0,0,0,0,0,0,0,0,2.154537037,0,0,0,0,2.240740741,0,0,0,0,1.391759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.66666667,1.866666667,0.363194444,2.240740741,0.134097222,1.391759259,6.17641037,0.274907407,0.240740741,2.199259259,0.274907407,0.240740741,2.199259259,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.4,0.4,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.58246,0.75825,12.57327,4.99081,0.49908,2.41482,0.24148,4.60903,2.19422,0.21942,0.30497,0.0305,0.39097,0.0391,0.25,10,0,0,0,0,0,0,0.4,0.979868757,1.959147917,1.959147917,2.125814584,2.125814584,2.459147917,23.51685016,47.01955001,47.01955001,51.01955001,51.01955001,59.01955001,0.213713581,0.427298569,0.427298569,0.463649285,0.463649285,0.536350715,3.605093744,2.625814584,2.625814584,2.459147917,2.459147917,2.125814584,0.206076118,0.412028238,0.412028238,0.44707989,0.44707989,0.517183196,6.772325919,14.7298096,14.7298096,16.7298096,16.7298096,15.23372211,37.92632204,30.86215626,30.86215626,27.69223126,27.69223126,30.86215626,8.1,2.93877551,1.75,0,6,0,2.56,1.28,1.532618865,3.265986324,7.228816029,0,0.333333333,5.656854249,0,3.301927249,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.088,0.481,0.688,4.848,14,16,16,18,10,2,0,0,0,96,2.63905733,3.277144733,3.743604354,4.141148628,4.610779425,4.274928499,2.784239339,0,0,0,5.823785267,3.513020833,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.4,0,3,5,0.666666667,3,1.777777778,0.75,0.604444444,0,0,0,0,0,0,0.3,0.126984127,0.057692308,0.100740741,0,0,0,0,0,0,0.585417175,22.83896268,31.9620683,45.67792536,4.567792536,22.83896268,2.78E-16,2.78E-17,-35.82050984,4000017.986,400001.7986,15.20180942,0,150.3504702,4.321928095,3.891820298,4.691347882,5.533389489,6.357842267,7.19518732,8.026496939,8.861775311,9.695047868,10.52955966,84.78246704,3.044522438,0,4.343805422,0,5.843544417,0,7.434257382,0,9.066585468,9.287579152,134.1095504,5.587897935,19.22486968,1.922486968,0,0,0,111,13,3.65,48,1.234762656,2.136350065,3.074688312,3.785427292,4.517987656,5.895250326,6.570271339,0,0,0,92.46115255,126.0725121,164.8031283,97.86836979,56.6248799,33.22552724,6.675816178,0,0,0,322.7760344,449.078728,650.8599483,520.6834334,395.4017422,388.6678943,204.2286352,0,0,0,9.03661301,15.33637183,22.29273039,26.8879013,31.36061317,40.58724048,44.14213146,0,0,0,2.357580245,3.373185037,5.041103938,4.552575243,3.888949268,4.263759899,2.921227426,0,0,0,173.6281861,322.6193845,445.3882249,587.3183773,756.740582,1012.05848,1214.959149,0,0,0,3.190259428,4.643945189,7.352596352,7.38440789,6.900038429,8.350891538,6.570271339,0,0,0,0.485493369,0.699500874,1.049250117,0.968048854,0.844978803,0.941569864,0.672795785,0,0,0,312.3411995,142.9701211,9.987527676,121.5804865,-55.65188618,-5.384920099,190.760713,198.6220073,15.37244777,0.719810071,0.329483696,0.02301689,0.280189929,-0.128253295,-0.012409889,135.5316199,62.037836,4.333804849,52.75640971,-24.14856028,-2.336633608,0.136101178,0.12107301,2.613406364,1.454496665,433.9216861,0,1,0,733.4098266,27.08154033,9.018110965,869.4529563,29.48648769,9.544401409,1314.963797,36.26242955,10.95564452,1.409853068,1.409853068,662.8269971,462.6995503,213.6124342,1.432521377,3.102942015,2.166070304,4.346213045,4.346686233,6.684998586,0.537952874,4.068044056,4.87032423,7.199811373,10.68097021,0.568470403,6.845827847,9.52046262,9.385930952,6.695128721,4.080307647,6.499786605,4.290675732,2.13E-04,4.28E-29,2.03E-75,1.94E-143,3.68E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0.341512356,4.870080862,0.288245746,7.193602174,0.111044909,0.468916282,0.887757139,0.606779209,1.776774851,0.155278562,0.20533782,0.030225643,1.50E-06,3.02E-31,1.43E-77,1.37E-145,2.59E-235,0,0,0,0,0,0,0,0,0,0,0,0,0,1.102176923,4.870097627,1.138062412,7.865957983,0.195981528,1.307017162,2.648956916,2.076746732,2.468357813,0.538570177,0.886484097,0.314926899,1.56E-05,3.14E-30,1.49E-76,1.43E-144,2.70E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,3.839908455,4.870297689,6.578233702,10.45350566,0.537483587,6.291444755,8.991649304,8.734548893,6.283528736,3.692184363,5.900881236,3.822919004,1.90E-04,3.82E-29,1.81E-75,1.73E-143,3.28E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,1.624349301,4.870118908,1.888001851,8.339234672,0.256791987,2.01998851,3.858238355,3.181455036,3.035853367,0.925768195,1.533316209,0.684048389,3.39E-05,6.83E-30,3.24E-76,3.10E-144,5.86E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,4.912727499,4.870435722,9.726566249,11.53903139,0.686588239,9.084660793,11.47878963,11.92706299,8.34456479,5.685209937,8.959749187,6.257527536,3.10E-04,6.25E-29,2.96E-75,2.84E-143,5.36E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,2.335010543,4.64447422,2.657095098,9.133903884,0.326986531,3.014115361,5.087581882,4.414313876,4.056857317,1.492712284,2.460120992,1.231402784,6.11E-05,1.23E-29,5.83E-76,5.58E-144,1.06E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,5.187336993,2.514637064,0.27873322,0.649984621,0.3150895,0.677490675,0.6095691,0.333349291,7.980707277,15.1910659,26.80764452,0.474976931,1.620409066,3.399623937,1.542469916,0.050243156,0.680968438,0.308967506,0.290976606,0.229317925,0.010831183,4.992337008,5.492124039,10.74792699,0.521452658,0.531125714,4.034578793,1.887766682,0.13139804,0.666460147,0.311834599,0.409826973,0.343506021,0.074079808,6.053743515,8.394528008,15.44904412,0.499690221,0.827412802,5.134654372,2.485988522,0.271999826,0.650562119,0.314975428,0.663798764,0.595757363,0.317438299,7.89264272,14.83750537,26.20214204,0.475843179,1.576994426,4.347019414,2.057673532,0.171331514,0.661040639,0.312905395,0.475762814,0.40813372,0.125949537,6.576024459,10.04207253,18.15061399,0.491560959,1.009846071,5.355631073,2.606154388,0.300242967,0.6482223,0.315437596,0.72216577,0.654750793,0.386783338,8.262028428,16.34807151,28.8007716,0.47233345,1.763699902,5.138986205,2.488383665,0.271756994,0.650576487,0.315020091,0.664919213,0.596905767,0.316871757,7.899126864,14.86056044,26.23485306,0.47586473,1.578696736 +UMLYSI0070,L,"1,2,3,5-tetramethylbenzene",CC1=CC(=C(C(=C1)C)C)C,aromatic,C10H14,527-53-7,10695,PubChem,,386.2,0,3.189,10.169721,48.0838,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2225.60387,2262.860389,1507.341199,556.076473,106.17264,9.144576,0,4670.34144,5841.481647,8138.02742,9177.291447,7958.171645,4841.098492,1714.183264,279.7536999,0,169.463656,175.052008,300.070904,325.790932,424.828924,396.547876,264.415104,60.466176,0,34.11358067,43.47862034,62.19666382,71.88911792,69.84404016,49.09302764,21.35349172,4.001516144,0,3856.790689,3411.659229,6444.093573,6548.248156,9416.391877,9464.739531,7021.017803,1664.258868,0,49.11111111,60.22222222,87,104.7777778,113,90,45,9,0,60.70275442,67.17251842,52.99056833,50.28578642,25.12235332,9.755727596,2.722375385,1.016064,0,194.59756,243.3950686,193.7625576,203.9398099,132.6361941,84.93155249,43.95341704,31.08374443,0,7.060985667,7.293833667,7.144545333,7.239798489,7.080482067,6.956980281,6.779874462,6.718464,0,1.421399194,1.811609181,1.480872948,1.597535954,1.164067336,0.861281187,0.547525429,0.444612905,0,160.6996121,142.1524679,153.4307994,145.5166257,156.9398646,166.048062,180.0260975,184.917652,0,2.046296296,2.509259259,2.071428571,2.328395062,1.883333333,1.578947368,1.153846154,1,0,0.038336885,0.002358133,0.012447521,-0.029850523,-0.019673337,-0.015996091,0.024609466,0.006936388,0,706.2183858,-7.82E-14,358.15361,-406.0755719,-615.4188791,-395.9867378,517.0527468,189.1656391,0,1313.243245,1.28E-13,666.0019314,-755.1148659,-1144.397685,-736.3542481,961.4816616,351.7615835,0,0.138343333,2.23E-15,0.070159833,-0.079547417,-0.120556333,-0.077571083,0.101287083,0.03705625,0,5.870808328,1.39E-14,2.977338509,-3.375714789,-5.115990115,-3.291846098,4.298270383,1.572537945,0,31.89032402,-1.07E-13,16.17295004,-18.33693631,-27.7901395,-17.88136025,23.34827294,8.542051076,0,4.648148148,-1.481481481,3.291666667,-2.409722222,-2.694444444,-3.122685185,2.918981481,1.173611111,0,0.00159737,9.83E-05,2.96E-04,-6.63E-04,-3.28E-04,-2.81E-04,6.31E-04,7.71E-04,0,29.42576608,-3.26E-15,8.527466904,-9.023901597,-10.25698132,-6.94713575,13.25776274,21.01840434,0,54.71846854,5.33E-15,15.85718884,-16.78033035,-19.07329475,-12.91849558,24.65337594,39.08462039,0,0.005764306,9.28E-17,0.001670472,-0.00176772,-0.002009272,-0.001360896,0.002597105,0.004117361,0,0.244617014,5.81E-16,0.070889012,-0.075015884,-0.085266502,-0.057751686,0.110212061,0.174726438,0,1.328763501,-4.44E-15,0.385070239,-0.407487474,-0.463168992,-0.313708075,0.598673665,0.949116786,0,0.19367284,-0.061728395,0.078373016,-0.053549383,-0.044907407,-0.054783951,0.074845679,0.130401235,0,0.061510817,0.185535913,-0.41527315,-0.205267974,-0.175684496,0.395031757,0.482486661,0,-1.11E-16,0.289795918,-0.306666667,-0.348571429,-0.236090226,0.450549451,0.714285714,0,9.74E-17,0.289795918,-0.306666667,-0.348571429,-0.236090226,0.450549451,0.714285714,0,1.61E-14,0.289795918,-0.306666667,-0.348571429,-0.236090226,0.450549451,0.714285714,0,2.37E-15,0.289795918,-0.306666667,-0.348571429,-0.236090226,0.450549451,0.714285714,0,-3.34E-15,0.289795918,-0.306666667,-0.348571429,-0.236090226,0.450549451,0.714285714,0,-0.3187251,0.404667046,-0.276494024,-0.23187251,-0.282868526,0.386454183,0.673306773,0,1.031172631,0.842507594,1.612064138,1.29296501,0.973137131,0.263511127,8.01E-08,0,1.15,0.751020408,1.401904762,1.314285714,1.106766917,0.303296703,0,0,1.15,0.751020408,1.401904762,1.314285714,1.106766917,0.303296703,0,0,1.15,0.751020408,1.401904762,1.314285714,1.106766917,0.303296703,0,0,1.15,0.751020408,1.401904762,1.314285714,1.106766917,0.303296703,0,0,1.15,0.751020408,1.401904762,1.314285714,1.106766917,0.303296703,0,0,1.534860558,0.458167331,1.38061089,1.200398406,1.244286014,0.380631321,0,0,35.65532449,17.82766224,23.75524232,35.65532449,3.565532449,17.82766233,-7.11E-15,0.001413429,1.41E-04,-6.561736792,49.75169593,4.975169593,3.907044552,35.65532449,17.82766224,23.75524232,35.65532449,3.565532449,17.82766233,-7.11E-15,0.001413429,1.41E-04,-6.561736792,49.75169593,4.975169593,3.907044552,35.65532449,17.82766224,23.75524232,35.65532449,3.565532449,17.82766233,-7.11E-15,0.001413429,1.41E-04,-6.561736792,49.75169593,4.975169593,3.907044552,35.65532449,17.82766224,23.75524232,35.65532449,3.565532449,17.82766233,-7.11E-15,0.001413429,1.41E-04,-6.561736792,49.75169593,4.975169593,3.907044552,35.65532449,17.82766224,23.75524232,35.65532449,3.565532449,17.82766233,-7.11E-15,0.001413429,1.41E-04,-6.561736792,49.75169593,4.975169593,3.907044552,35.65532449,17.82766224,23.75524232,35.65532449,3.565532449,17.82766233,-7.11E-15,0.001413429,1.41E-04,-6.561736792,49.75169593,4.975169593,3.907044552,38.7024859,19.31124295,25.65184901,38.6384859,3.86384859,19.31124297,-0.08,0.043152683,0.004315268,-3.143010678,55.6046519,5.56046519,4.018266865,0,11.89,12.11015511,-0.153307697,0.066974336,6.161142302,8.91558154,10,24,21,18,4,3,0,0,0,6,15.304898,3.863656792,3.063612197,2.978981869,2.545898232,2.211311252,2.024738679,1.639227294,0.441365589,2.025276195,1.536058947,1.493916978,1.349788852,1.073690757,0.783323018,0.333321986,0.083923071,3.87259452,3.090217742,3.0085188,2.60573553,2.279192289,2.082600027,1.699799591,0.545672476,1.996778778,1.459721192,1.412300855,1.24444576,0.966821781,0.682662645,0.252433987,0.270913902,3.914611273,3.218224297,3.149926772,2.860799081,2.561971893,2.324156623,1.939313271,0.963720007,1.923608704,1.245723146,1.180117151,0.909776979,0.615028525,0.369849397,0.018023478,0.943918427,3.879312905,3.110437007,3.030937363,2.649461921,2.328433577,2.124567978,1.743011532,0.621114151,1.979665099,1.411787043,1.360731895,1.175207016,0.895574198,0.617333107,0.198678551,0.399277246,3.936967706,3.286277043,3.224500232,2.979025221,2.689356826,2.434292052,2.040677079,1.207644823,1.90350418,1.184191623,1.11246322,0.797638168,0.492956933,0.264988018,0.117218732,1.133948601,3.856708678,3.130280503,3.066236341,2.734162526,2.421382256,2.204006623,1.756834428,0.665465327,1.992247981,1.360768411,1.297017265,1.075878442,0.796310762,0.531548169,0.187992313,0.535714286,0,0,0,2,4,4,0,0,0,0,0,0,0.055555556,0.222222222,0,0,0,0.020833333,0.083333333,0.952529745,0,0.272165527,0,0.580341801,0,0.144337567,0,2.006134615,2.69851557,3.277369638,1.138354503,1.346687836,1.44118572,7.723614639,4.609060905,4.390260761,3.343444796,2.355719545,1.30466872,0.69780433,0.111111111,0.772361464,0.460906091,0.313590054,0.2089653,0.138571738,0.081541795,0.063436757,0.055555556,7.154700538,3.654700538,3.023717474,2.071367205,1.252189953,0.580341801,0.280502117,0.041666667,0.715470054,0.365470054,0.21597982,0.12946045,0.073658233,0.036271363,0.025500192,0.020833333,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,1.79868,41.002,41.91134528,54.47993516,83.82269057,8.382269057,41.91134528,0.018579962,0.001857996,-3.985671571,45.28973342,4.528973342,3.813080371,76,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,2,0,0,0,0,0,0,0,0,4,0,0,0,0,2,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.03351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.737638889,0,0,0,0,0.737638889,0,0,0,0,0,0,0,0,8.633148148,0,0,0,0,4.449074074,0,0,0,0,5.584444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.361666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368819444,0,0,0,0,0.368819444,0,0,0,0,0,0,0,0,2.138333333,0,0,0,0,2.224537037,0,0,0,0,1.361666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.224537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368819444,0,0,0,0,0.368819444,0,0,0,0,0,0,0,0,2.170740741,0,0,0,0,2.224537037,0,0,0,0,1.421851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.66666667,1.866666667,0.368819444,2.224537037,0.121944444,1.361666667,6.176682037,0.305,0.224537037,2.164444444,0.305,0.224537037,2.164444444,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.4,0.4,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.62756,0.76276,12.60445,4.97689,0.49769,2.41482,0.24148,4.60903,2.19422,0.21942,0.30497,0.0305,0.39097,0.0391,0.25,10,0,0,0,0,0,0,0.4,0.979868757,1.959147917,2.209147917,2.54248125,3.29248125,3.459147917,23.51685016,47.01955001,53.01955001,61.01955001,79.01955001,83.01955001,0.213713581,0.427298569,0.481824642,0.554526073,0.718104292,0.754455007,3.605093744,2.625814584,2.375814584,2.04248125,1.29248125,1.125814584,0.206076118,0.412028238,0.464605717,0.534709023,0.692441461,0.727493114,6.772325919,14.7298096,17.7298096,21.7298096,22.48567837,21.73763463,37.92632204,30.86215626,26.39975,20.6448625,19.8948625,20.43734375,8.1,2.93877551,1.75,0,6,0,2.56,1.28,1.590691044,3.039342743,7.493496595,0,0.5,5.111544834,0,3.532775529,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.088,0.481,0.688,4.848,14,16,17,16,11,2,0,0,0,96,2.63905733,3.277144733,3.743604354,4.1763085,4.541298109,4.342993404,2.784239339,0,0,0,5.825446857,3.518880208,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.4,0,3,5,0.666666667,3,1.555555556,1,0.524444444,0,0,0,0,0,0,0.3,0.111111111,0.076923077,0.074920635,0,0,0,0,0,0,0.562954823,22.60340992,30.88608135,45.20681984,4.520681984,22.60340992,0.031980419,0.003198042,-3.442631484,45.7788899,4.57788899,3.823823066,0,150.3504702,4.321928095,3.891820298,4.691347882,5.541263545,6.357842267,7.208600338,8.029107055,8.879472402,9.701187753,10.55119271,84.85183425,3.044522438,0,4.343805422,0,5.843544417,0,7.438971592,0,9.078065333,9.297526734,134.1095504,5.587897935,19.22495568,1.922495568,0,0,0,110,13,3.65,48,1.234762656,2.13629117,3.079273027,3.786520656,4.561843963,5.779375095,6.552566751,0,0,0,92.46115255,126.3130119,164.9288553,107.8188303,50.52091004,16.31692839,6.657827183,0,0,0,322.7760344,449.6355558,651.5500485,540.1937659,419.357904,258.4227614,203.6783102,0,0,0,9.03661301,15.33672448,22.3255874,26.90333788,31.86837611,39.20443068,44.02318382,0,0,0,2.357580245,3.376177311,5.047099395,4.644693042,4.168687528,3.199535313,2.913355737,0,0,0,173.6281861,322.5623122,446.076259,587.4701916,747.1375816,1038.766174,1211.685258,0,0,0,3.188291876,4.652653533,7.294070671,7.395437079,7.548054868,6.721101794,6.552566751,0,0,0,0.485493369,0.700075365,1.050521804,0.985222846,0.905218861,0.721389604,0.670982835,0,0,0,311.4341955,142.5501504,9.880212082,116.4543564,-53.30367137,-5.153317857,194.9798392,195.8538218,15.03352994,0.727839514,0.333147848,0.02309062,0.272160486,-0.124573726,-0.012043598,133.2591269,60.99557742,4.22762964,49.8294859,-22.80803075,-2.205045715,0.136088224,0.121584771,2.613157627,1.460644643,427.8885519,0,1,0,733.4098266,27.08154033,9.018110965,869.4529563,29.48648769,9.544401409,1314.517994,36.25628213,10.9544063,1.225195128,1.165194424,649.1985232,382.1755857,280.5086595,1.698691773,2.314361789,1.362437746,4.390235674,4.355172234,6.664765497,0.530310431,4.068044056,4.87032423,6.162296804,11.1748446,0.905417239,6.493853319,10.31511476,7.298260412,8.653641637,4.654827283,6.90577382,4.395466644,2.73E-05,7.61E-31,4.94E-78,6.44E-147,1.67E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,0.341512356,4.870080862,0.308017876,7.314412968,0.503936206,0.468809511,0.979053351,0.48532974,2.345696647,0.199763006,0.166580599,0.030958255,1.93E-07,5.36E-33,3.48E-80,4.54E-149,1.17E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,1.102176923,4.870097627,1.131487012,8.010977374,0.583309945,1.152414416,2.882981669,1.64974791,3.440302844,0.70137904,0.809812445,0.322603986,2.01E-06,5.58E-32,3.62E-79,4.73E-148,1.22E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,3.839908455,4.870297689,5.672472696,10.90616613,0.879927165,5.931764611,9.742944841,6.801139258,8.199203884,4.237840321,6.234113045,3.916282075,2.44E-05,6.78E-31,4.40E-78,5.74E-147,1.48E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,1.624349301,4.870118908,1.807082956,8.516295053,0.638562723,1.783876226,4.190491606,2.516261668,4.249015396,1.166794383,1.468830071,0.700737431,4.36E-06,1.21E-31,7.87E-79,1.03E-147,2.65E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.912727499,4.870435722,8.125123159,12.20636604,1.000830665,8.794424136,12.43430974,9.229753905,10.41373541,6.362528624,9.686811083,6.410372972,3.99E-05,1.11E-30,7.20E-78,9.39E-147,2.43E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,2.335016897,4.587812281,2.426423173,9.317830322,0.770951469,2.619670193,5.340153647,3.403202729,5.643647247,1.837887444,2.422074438,1.261456404,7.85E-06,2.18E-31,1.42E-78,1.85E-147,4.78E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.294573541,3.226363802,0.278738928,0.550609204,0.413653553,0.497718224,0.477072355,0.333332977,7.799676271,15.95223463,27.61407752,0.446394135,1.308123556,2.810417606,2.041450888,0.050245405,0.573307284,0.416442973,0.21308518,0.190947074,0.010831172,4.902113898,5.981113612,11.17150195,0.484625386,0.414863426,3.337557062,2.462308763,0.131401517,0.562705552,0.415140411,0.300555909,0.27782603,0.074077044,5.931267342,8.980207171,15.9913448,0.466768944,0.652458983,4.250836645,3.191445663,0.272005432,0.551034235,0.413705811,0.48762885,0.46679892,0.317422843,7.71428774,15.59065539,26.99505427,0.447110069,1.271850613,3.596944676,2.669397413,0.171335596,0.558733266,0.414652231,0.349107149,0.326539741,0.125944188,6.437677685,10.67532227,18.75810863,0.460078245,0.801591078,4.434290568,3.33790932,0.300249,0.549311693,0.413494017,0.530640879,0.510639982,0.386764127,8.072448888,17.13485506,29.65136741,0.444208566,1.428044988,4.254908269,3.194363131,0.271762608,0.55108011,0.413722194,0.488562415,0.467651865,0.316856366,7.721034008,15.61615553,27.03091139,0.447203456,1.273070646 +UMLYSI0071,L,1-ethynyl-3-methylbenzene,CC1=CC=CC(=C1)C#C,aromatic,C9H8,766-82-5,136600,PubChem,,384.6,0,2.4191,5.85204481,41.7819,21.174344,6,6,17,9,8,0,9,0,0,0,0,0,0,0,0,0,1306.505601,1395.233793,1735.238579,1530.443889,924.178589,427.802594,76.706784,4.064256,0,4060.322071,4729.545047,6128.776549,6053.815316,4233.124071,2295.63905,812.7546759,124.3349777,0,121.612356,124.8057,188.512652,216.53658,212.050868,133.685768,69.579648,26.873856,0,28.65700324,34.00845448,45.37427043,47.1466677,35.7627251,20.49446484,8.459717479,1.778451619,0,2620.490421,2366.129587,3786.961446,4420.312915,4748.191412,3047.442649,1658.405894,739.6706081,0,55.80555556,56.83333333,71.27777778,83.16666667,72.5,47.66666667,24,4,0,76.85327065,82.07257606,66.73994535,51.0147963,30.80595297,22.515926,7.6706784,1.016064,0,238.8424748,278.2085322,235.722175,201.7938439,141.1041357,120.8231079,81.27546759,31.08374443,0,7.153668,7.341511765,7.250486615,7.217886,7.068362267,7.036093053,6.9579648,6.718464,0,1.685706073,2.000497322,1.745164247,1.57155559,1.192090837,1.078656044,0.845971748,0.444612905,0,154.1464954,139.1840933,145.6523633,147.3437638,158.2730471,160.3917184,165.8405894,184.917652,0,3.282679739,3.343137255,2.741452991,2.772222222,2.416666667,2.50877193,2.4,1,0,0.067227234,-0.013096345,-0.012586001,-0.009038238,2.11E-04,-0.001233246,-0.015915503,0.018044949,0,512.7501558,2.38E-13,34.76982265,-263.9155213,-43.14809317,-74.56660762,-45.2426608,135.7279824,0,953.4808099,-3.55E-14,64.65596995,-490.7621815,-80.23572174,-138.659791,-84.13065969,252.3919791,0,0.100444235,8.08E-16,0.00681117,-0.051699239,-0.008452415,-0.014607087,-0.008862727,0.02658818,0,4.262502853,5.33E-15,0.289042269,-2.193935292,-0.358691008,-0.619873781,-0.376103193,1.128309579,0,23.15398315,1.64E-14,1.570082191,-11.91749133,-1.948415249,-3.367164216,-2.042998513,6.12899554,0,10.23529412,-0.743464052,0.988177624,-1.232218378,-0.165224913,-0.728662053,-4.860630527,1.62437524,0,0.003954543,-7.70E-04,-4.84E-04,-3.01E-04,7.03E-06,-6.49E-05,-0.00159155,0.004511237,0,30.16177387,1.40E-14,1.337300871,-8.797184045,-1.438269772,-3.924558296,-4.52426608,33.9319956,0,56.08710646,-2.09E-15,2.486768075,-16.35873938,-2.674524058,-7.297883736,-8.413065969,63.09799477,0,0.005908484,4.76E-17,2.62E-04,-0.001723308,-2.82E-04,-7.69E-04,-8.86E-04,0.006647045,0,0.250735462,3.13E-16,0.01111701,-0.073131176,-0.011956367,-0.032624936,-0.037610319,0.282077395,0,1.361999009,9.67E-16,0.060387777,-0.397249711,-0.064947175,-0.177219169,-0.204299851,1.532248885,0,0.602076125,-0.04373318,0.038006832,-0.041073946,-0.005507497,-0.038350634,-0.486063053,0.40609381,0,-0.194807134,-0.12241034,-0.076184428,0.001776579,-0.016413442,-0.402461222,1.140773302,0,4.64E-16,0.044337607,-0.291666667,-0.047685185,-0.130116959,-0.15,1.125,0,-3.73E-17,0.044337607,-0.291666667,-0.047685185,-0.130116959,-0.15,1.125,0,8.05E-15,0.044337607,-0.291666667,-0.047685185,-0.130116959,-0.15,1.125,0,1.25E-15,0.044337607,-0.291666667,-0.047685185,-0.130116959,-0.15,1.125,0,7.10E-16,0.044337607,-0.291666667,-0.047685185,-0.130116959,-0.15,1.125,0,-0.072637292,0.063126289,-0.068220519,-0.00914751,-0.063697318,-0.807311622,0.674489144,0,1.012609752,0.801086474,0.860010539,0.9029203,1.177206225,1.897466922,0.931968307,0,0.888888889,0.871794872,1.196296296,1.007407407,1.093567251,1.133333333,0,0,0.888888889,0.871794872,1.196296296,1.007407407,1.093567251,1.133333333,0,0,0.888888889,0.871794872,1.196296296,1.007407407,1.093567251,1.133333333,0,0,0.888888889,0.871794872,1.196296296,1.007407407,1.093567251,1.133333333,0,0,0.888888889,0.871794872,1.196296296,1.007407407,1.093567251,1.133333333,0,0,0.896551724,0.466794381,0.758450404,1.053001277,1.293540364,2.970114943,0,0,29.07163415,14.53581708,21.26182308,29.07163415,3.230181573,14.53581938,8.88E-15,0.050069841,0.005563316,-2.694902788,50.44972426,5.605524918,3.528879553,29.07163415,14.53581708,21.26182308,29.07163415,3.230181573,14.53581938,8.88E-15,0.050069841,0.005563316,-2.694902788,50.44972426,5.605524918,3.528879553,29.07163415,14.53581708,21.26182308,29.07163415,3.230181573,14.53581938,8.88E-15,0.050069841,0.005563316,-2.694902788,50.44972426,5.605524918,3.528879553,29.07163415,14.53581708,21.26182308,29.07163415,3.230181573,14.53581938,8.88E-15,0.050069841,0.005563316,-2.694902788,50.44972426,5.605524918,3.528879553,29.07163415,14.53581708,21.26182308,29.07163415,3.230181573,14.53581938,8.88E-15,0.050069841,0.005563316,-2.694902788,50.44972426,5.605524918,3.528879553,29.07163415,14.53581708,21.26182308,29.07163415,3.230181573,14.53581938,8.88E-15,0.050069841,0.005563316,-2.694902788,50.44972426,5.605524918,3.528879553,38.93452033,19.0572175,27.97170426,38.62079625,4.291199583,19.05721752,-0.586111111,0.049743474,0.005527053,-2.700788402,63.44207446,7.049119385,3.735114549,0,11.69,12.31004605,-0.402979166,0.218650861,4.739078397,8.186009867,9,17,13,10,2,3,0,1,0,7,8.745656,3.81954176,3.159663877,2.816606744,2.394622319,2.066283033,0.883702661,0.673749508,0.315461271,1.977929701,1.45299727,1.279853619,0.909368341,0.794013695,0.27505922,0.063129096,0.083923071,3.828669792,3.172520274,2.846284338,2.421288025,2.123988927,0.995273302,0.777378183,0.449175662,1.950838137,1.390863188,1.218331405,0.823624559,0.698166352,0.111956298,0.204684846,0.270913902,3.870914047,3.237031324,2.985740825,2.555208387,2.359538041,1.466866662,1.212731216,0.956864766,1.879826193,1.251884905,1.014685267,0.585054906,0.403115743,0.445963982,0.707218325,0.943918427,3.835497328,3.182365171,2.868710645,2.441829356,2.165552158,1.077286167,0.853286479,0.543459778,1.934436237,1.355327052,1.176702687,0.769748067,0.636449716,0.001718233,0.302058384,0.399277246,3.892978407,3.274753887,3.056458013,2.629590203,2.464163728,1.674851749,1.403273188,1.207644823,1.859849459,1.219247499,0.949336588,0.518744984,0.302671775,0.647534901,0.892614115,1.159501053,3.806704867,3.431582873,2.813748877,2.451444878,2.115986823,1.089023674,0.905560253,0.525872964,2.035172555,1.349774327,1.097859033,0.725442418,0.567261954,0.029660668,0.328613484,0.453781513,1,1,0,4,2,1,0,0,0,0,0,0,0.083333333,0.142258898,0,0,0,0.027777778,0.041666667,0.49279928,0,0,0,0.25,0,0,0,0.837103655,1.146659525,1.24013326,0.31745009,0.362838273,0.316874369,6.690234444,4.325698503,3.54605133,2.62234839,1.930516643,1.331224291,0.534517797,0.201184464,0.743359383,0.480633167,0.322368303,0.218529033,0.14850128,0.102401869,0.076359685,0.067061488,5.386751346,2.86004234,2.013817295,1.184739864,0.734846741,0.40450494,0.135167372,0.029926396,0.598527927,0.317782482,0.1830743,0.098728322,0.056526672,0.031115765,0.019309625,0.009975465,11.16731122,16.55134741,15.90196078,16.04,12.19421796,125.8264934,0.65690066,0.973608671,0.935409458,0.943529412,0.717306939,7.401558436,1.77551,37.372,36.7912283,50.73939382,73.58245661,8.175828512,36.7912283,0.054065423,0.006007269,-2.625804381,39.92247553,4.435830615,3.318245516,71,1,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,0,0,0,0,4,0,0,0,0,0,0,0,0,1,0,0,1,0,4,0,0,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.600138889,0,0,17.80472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.600138889,0,0,1.848194444,0,0,0,0,1.848194444,0,0,0,0,0,0,0,0,2.028611111,0,0,5.168703704,0,7.901157407,0,0,2.567777778,0,2.167083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.600138889,0,0,0.953703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.600138889,0,0,0.439166667,0,0,0,0,0.439166667,0,0,0,0,0,0,0,0,2.028611111,0,0,5.168703704,0,1.923611111,0,0,2.567777778,0,0.953703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.600138889,0,0,5.168703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.600138889,0,0,0.483402778,0,0,0,0,0.483402778,0,0,0,0,0,0,0,0,2.028611111,0,0,5.168703704,0,2.028611111,0,0,2.567777778,0,1.21337963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.83333333,2.203703704,0.600138889,5.168703704,0.213125,0.953703704,4.628945509,0.712962963,1.168703704,2.587407407,0.712962963,1.168703704,2.587407407,4.5,0.5,0,0,0.51176,0.7,0.43333,0.43333,0.7,0.07843,0.07843,0,0,0.71429,0,0,0.22222,0.22222,0,13.5,1.5,4.5,0.5,9,1,4.5,0.5,0,0,3.71887,0.41321,9.9286,6.20973,0.68997,1.5958,0.17731,4.32569,2.72989,0.30332,0.08831,0.00981,0.17431,0.01937,0.352941176,9,0,0,0,0,0,0,0.142857143,0.997502546,2.866587106,3.337175341,3.690116518,3.807763576,3.807763576,16.95754329,48.7319808,56.7319808,62.7319808,64.7319808,64.7319808,0.244039539,0.701312089,0.816441756,0.902789007,0.931571423,0.931571423,3.089960295,1.220875735,0.7502875,0.397346324,0.279699265,0.279699265,0.223683786,0.642814455,0.748340961,0.82748584,0.853867466,0.853867466,6.344815581,21.50275711,27.14981594,26.21232183,27.62408654,27.62408654,30.32476541,22.5311582,16.51366852,16.98425675,15.51075357,15.51075357,7.111111111,3.239669421,2,1,8,0,2.45,1.0531,0.2,3.516759154,1.807204007,0,4.941453946,6.26120069,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.085,0.15,0.144,0.638,0.816,3.907,11,12,13,13,7,3,0,0,0,77,2.708050201,3.157000421,3.669951444,4.104707349,4.541298109,4.201890189,4.123093976,0,0,0,5.896466818,4.711038961,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,0,3,5,0.666666667,2,0.666666667,0.5,0.342222222,0.0625,0,0,0,0,0,0.222222222,0.060606061,0.055555556,0.068444444,0.03125,0,0,0,0,0,0.438078283,20.13973017,29.36341876,40.27946033,4.475495593,20.13973017,0.079991382,0.008887931,-2.273252741,47.43521114,5.270579016,3.473428324,0,127.7815681,4.169925001,3.713572067,4.465908119,5.262690189,6.033086222,6.834108739,7.608374474,8.409830673,9.185125123,9.986495092,79.4991907,2.944438979,0,4.143134726,0,5.556828062,0,7.062191632,0,8.606851063,8.851090688,116.0626003,6.82721178,17.54944621,1.949938468,0,0,0,88,9,2.89,40,1.231959044,2.201726301,3.094310367,3.939582212,5.076441432,6.169879278,7.223909947,0,0,0,109.060249,157.0596836,164.9920978,134.3816349,121.3932249,48.38972478,7.339954836,0,0,0,361.3168736,545.1169787,643.6738316,594.9500281,635.3815209,509.4741077,224.5461706,0,0,0,9.069881328,16.01160589,22.37350922,27.94247454,35.77539245,42.96804475,48.53357892,0,0,0,2.56531547,3.993353371,4.977020972,4.9404423,5.615595283,5.283629898,3.211843586,0,0,0,169.8852723,317.3983122,453.1800819,616.5088284,810.0090999,1020.170316,1335.828466,0,0,0,4.185459127,6.263069728,8.804598433,9.971946401,13.14446432,14.93867959,7.223909947,0,0,0,0.525409756,0.823309318,1.035991212,1.042936963,1.197850894,1.154363509,0.739728379,0,0,0,231.551152,111.8815924,14.63376755,199.4787962,-96.38477363,-15.79375593,32.07235578,208.266366,30.42752348,0.537204324,0.259568025,0.033950698,0.462795676,-0.223615027,-0.036641899,99.80548104,48.22431697,6.307592067,85.98133519,-41.54472398,-6.807581802,0.256012707,0.236542596,13.11106143,16.77482247,431.0299482,0,1,0,722.1973054,26.87372891,8.97191784,800.9559671,28.30116547,9.286873867,1178.86866,34.33465683,10.56383982,1.647050737,1.647050737,530.4003643,386.5592255,147.2136706,1.37210634,3.602928737,2.625837831,4.105837433,4.421296769,7.787732795,0.761413721,2.735141911,1.903380492,2.9549889,6.589291202,0.015519414,7.201467063,3.285928553,4.282632209,1.786871285,1.32501166,0.783392849,0.98869411,0.292955793,0.352859711,0.011045451,9.27E-23,1.50E-64,4.69E-128,2.82E-213,3.28E-320,0,0,0,0,0,0,0,0,0,0,0.239935916,1.903319213,0.236093855,3.293754894,0.001759863,3.211020396,1.222941469,0.37927593,0.120881523,0.109915027,0.094819021,0.010348671,0.005778832,0.00248522,7.78E-05,6.53E-25,1.06E-66,3.30E-130,1.99E-215,2.3E-322,0,0,0,0,0,0,0,0,0,0,0.749260655,1.903323494,0.769221274,3.754805454,0.004568262,3.748196712,1.640882469,1.087749458,0.385942442,0.355272092,0.235046968,0.081261832,0.031047189,0.025897906,8.11E-04,6.81E-24,1.10E-65,3.44E-129,2.07E-214,2.406E-321,0,0,0,0,0,0,0,0,0,0,2.582387188,1.90337383,2.780807802,6.312670084,0.014676987,6.859054379,3.158516538,4.012439331,1.65834697,1.249679735,0.741124002,0.883239575,0.263576693,0.31439165,0.009841298,8.26E-23,1.34E-64,4.18E-128,2.52E-213,2.9224E-320,0,0,0,0,0,0,0,0,0,0,1.098896122,1.903328875,1.141686336,4.134142109,0.006496206,4.199305018,1.92872373,1.600307882,0.590168429,0.524494822,0.331405453,0.168181317,0.058295603,0.056253713,0.001760891,1.48E-23,2.39E-65,7.47E-129,4.50E-214,5.227E-321,0,0,0,0,0,0,0,0,0,0,3.300723895,1.903408464,3.608682542,7.698504804,0.018638629,8.580675456,3.758946646,5.318496645,2.292865902,1.605004369,0.94002577,1.430875801,0.415129493,0.514612727,0.016108752,1.35E-22,2.19E-64,6.84E-128,4.12E-213,4.7835E-320,0,0,0,0,0,0,0,0,0,0,1.328105239,1.324443588,1.089598469,4.267883462,0.006583423,5.238246973,1.85525788,1.739266711,0.765761239,0.978086274,0.668719954,0.224104866,0.07091478,0.072660046,0.002274453,1.91E-23,3.09E-65,9.65E-129,5.81E-214,6.754E-321,0,0,0,0,0,0,0,0,0,0,4.618852172,2.228206884,0.098389931,0.665018515,0.320815384,0.432776804,0.516402179,0.117685166,6.945448987,10.96543987,18.92349424,0.497527773,1.066864149,3.420977753,1.264425646,0.014518902,0.72787964,0.269031181,0.227334256,0.15839847,0.002562657,4.699922301,4.393598918,9.156323774,0.59181946,0.388295382,3.78798147,1.569121638,0.04058051,0.701779085,0.290702781,0.28193684,0.249108977,0.020019679,5.397683618,6.161197665,11.80008387,0.552668627,0.551065496,4.575217213,2.194515035,0.095389699,0.666443692,0.319661479,0.4238718,0.500500948,0.110617401,6.865121947,10.68614568,18.50901674,0.499665537,1.034990149,3.989877273,1.732930571,0.054769653,0.69057962,0.299940688,0.315032514,0.306644153,0.036467135,5.777577498,7.227616503,13.38388126,0.53586943,0.658143803,4.762507554,2.338488366,0.108242521,0.66061174,0.324373841,0.46288945,0.570026909,0.142434747,7.209238442,11.90569821,20.32044103,0.490917611,1.175351106,4.638150095,2.186735483,0.094715647,0.67029153,0.316020449,0.433106448,0.495437465,0.109059732,6.919601225,10.78883084,18.66907675,0.505437296,1.037603645 +UMLYSI0072,L,cyclohexylbenzene,C1CCC(CC1)C2=CC=CC=C2,aromatic,C12H16,827-52-1,13229,PubChem,,377.3,0,0.5489,0.30129121,50.1769,31.788688,6,6,28,12,16,0,12,0,0,0,0,0,0,0,0,0,1747.426476,2069.146981,2712.84016,2528.36675,1904.914042,1515.46484,884.899684,305.806201,44.449776,5579.542732,7341.505585,10717.99749,11264.71115,9173.864562,7284.60285,4976.170055,2297.696209,592.8798046,197.981616,211.90882,389.122432,551.51564,506.319976,407.424032,315.19912,200.447524,75.100608,40.58060648,54.07240896,83.59242675,94.25708212,79.53653069,63.27192459,45.43908282,23.2652382,6.897536169,4480.214705,4098.287393,8006.342032,12338.04654,11588.21423,9369.974529,7325.718654,4922.947361,1938.708859,51.80555556,64.22222222,104.3333333,129.1666667,116.3333333,96.66666667,73,41,13.5,62.40808843,71.3498959,50.23778074,32.41495833,26.45713947,26.12870414,19.66443742,10.54504141,4.040888727,199.2693833,253.155365,198.481435,144.4193737,127.4147856,125.5966009,110.5815568,79.23090376,53.89816405,7.070772,7.30720069,7.205970963,7.070713333,7.032221889,7.024552276,7.004424889,6.911983586,6.827328,1.449307374,1.864565826,1.548007903,1.20842413,1.104674037,1.090895251,1.009757396,0.802249593,0.627048743,160.0076681,141.3202549,148.2655932,158.1800839,160.9474199,161.551285,162.7937479,169.7568056,176.2462599,1.850198413,2.214559387,1.932098765,1.655982906,1.615740741,1.666666667,1.622222222,1.413793103,1.227272727,0.060504833,-8.16E-05,-0.023031192,-0.009142298,-0.004109319,0.002191916,-0.009472018,0.003553507,0.006561871,830.1669189,39.53175804,-234.7198134,-98.8293951,-93.88792535,-24.70734878,-175.4221763,39.53175804,88.94645559,1543.730835,73.51099214,-436.4715159,-183.7774804,-174.5886063,-45.94437009,-326.2050276,73.51099214,165.3997323,0.162624,0.007744,-0.04598,-0.01936,-0.018392,-0.00484,-0.034364,0.007744,0.017424,6.901195096,0.328628338,-1.951230756,-0.821570845,-0.780492303,-0.205392711,-1.458288249,0.328628338,0.73941376,37.48740129,1.785114347,-10.59911644,-4.462785868,-4.239646575,-1.115696467,-7.921444916,1.785114347,4.016507281,4.225198413,0.960211168,0.125212585,0.34587585,-0.739795918,-1.178784014,-1.745854592,-0.318558673,0.254783163,0.002160887,-2.82E-06,-4.27E-04,-1.17E-04,-5.71E-05,3.78E-05,-2.10E-04,1.23E-04,5.97E-04,29.64881853,1.36316407,-4.346663211,-1.267043527,-1.303998963,-0.425988772,-3.898270585,1.36316407,8.086041417,55.13324411,2.534861798,-8.082805849,-2.356121543,-2.424841755,-0.792144312,-7.249000614,2.534861798,15.0363393,0.005808,2.67E-04,-8.51E-04,-2.48E-04,-2.55E-04,-8.34E-05,-7.64E-04,2.67E-04,0.001584,0.246471253,0.011332012,-0.036133903,-0.01053296,-0.010840171,-0.003541254,-0.032406406,0.011332012,0.067219433,1.33883576,0.061555667,-0.196279934,-0.057215203,-0.05888398,-0.019236146,-0.176032109,0.061555667,0.365137026,0.150899943,0.03311073,0.002318752,0.004434306,-0.010274943,-0.020323862,-0.038796769,-0.010984782,0.023162106,-0.001302863,-0.197374308,-0.05424113,-0.026412248,0.017488954,-0.097408752,0.056705757,0.276059656,0.045977011,-0.146604938,-0.042735043,-0.043981481,-0.014367816,-0.131481481,0.045977011,0.272727273,0.045977011,-0.146604938,-0.042735043,-0.043981481,-0.014367816,-0.131481481,0.045977011,0.272727273,0.045977011,-0.146604938,-0.042735043,-0.043981481,-0.014367816,-0.131481481,0.045977011,0.272727273,0.045977011,-0.146604938,-0.042735043,-0.043981481,-0.014367816,-0.131481481,0.045977011,0.272727273,0.045977011,-0.146604938,-0.042735043,-0.043981481,-0.014367816,-0.131481481,0.045977011,0.272727273,0.219421752,0.015366153,0.029385735,-0.068091101,-0.13468436,-0.257102606,-0.072795136,0.153493138,1.073124211,1.130046051,0.897976094,0.896724347,0.989092134,1.215379287,1.034693464,0.784659914,1.086206897,1.203125,1.009615385,0.984375,0.950431034,1.05,0.814655172,0.536931818,1.086206897,1.203125,1.009615385,0.984375,0.950431034,1.05,0.814655172,0.536931818,1.086206897,1.203125,1.009615385,0.984375,0.950431034,1.05,0.814655172,0.536931818,1.086206897,1.203125,1.009615385,0.984375,0.950431034,1.05,0.814655172,0.536931818,1.086206897,1.203125,1.009615385,0.984375,0.950431034,1.05,0.814655172,0.536931818,0.881411372,0.917116694,0.815846985,0.993543085,1.211940637,1.349049073,1.019131899,0.6535465,58.52759735,29.26379867,44.87165434,58.52759735,4.877299779,29.26379867,-1.42E-14,0.17798268,0.01483189,-2.071282844,73.29275716,6.107729764,5.153354152,58.52759735,29.26379867,44.87165434,58.52759735,4.877299779,29.26379867,-1.42E-14,0.17798268,0.01483189,-2.071282844,73.29275716,6.107729764,5.153354152,58.52759735,29.26379867,44.87165434,58.52759735,4.877299779,29.26379867,-1.42E-14,0.17798268,0.01483189,-2.071282844,73.29275716,6.107729764,5.153354152,58.52759735,29.26379867,44.87165434,58.52759735,4.877299779,29.26379867,-1.42E-14,0.17798268,0.01483189,-2.071282844,73.29275716,6.107729764,5.153354152,58.52759735,29.26379867,44.87165434,58.52759735,4.877299779,29.26379867,-1.42E-14,0.17798268,0.01483189,-2.071282844,73.29275716,6.107729764,5.153354152,58.52759735,29.26379867,44.87165434,58.52759735,4.877299779,29.26379867,-1.42E-14,0.17798268,0.01483189,-2.071282844,73.29275716,6.107729764,5.153354152,70.21066431,34.58515114,54.41495866,70.07490042,5.839575035,34.58515114,-0.271527778,0.328556138,0.027379678,-1.335657076,89.56124955,7.463437462,5.393907292,0,11.85,12.1501417,-0.209908169,0.09026362,6.646907704,9.709946455,13,29,26,23,7,3,0,0,0,6,17.491312,3.821770131,3.510577566,2.870199572,2.750129472,2.619181914,2.357793006,1.456797487,1.365837495,2.042823007,1.852790392,1.372874417,1.338469096,1.082250302,0.92507461,0.666206401,0.578771637,3.83449387,3.534413256,2.897852352,2.792995694,2.645815032,2.393841506,1.556142907,1.461067915,2.005015399,1.804817364,1.285229005,1.264073153,1.007167592,0.839689134,0.522081792,0.4312875,3.893375545,3.638341646,3.027306112,2.981537655,2.771820215,2.55776891,1.9628467,1.862907355,1.905806066,1.658862555,1.05457528,1.018928274,0.798620231,0.591298974,0.037619229,0.061772794,3.844009333,3.551933765,2.918660412,2.824624264,2.665925019,2.420733186,1.62787375,1.530684658,1.982088556,1.77379913,1.228596505,1.217356618,0.960278991,0.785465865,0.425347018,0.33240342,3.924160384,3.688234615,3.094570508,3.072480534,2.838078588,2.63990205,2.141548494,2.043386128,1.877948952,1.612173052,0.993345188,0.933903671,0.738564276,0.515538249,0.135164289,0.235287957,3.931334278,3.520169272,2.922176608,2.839170715,2.786621233,2.477738304,1.689470796,1.592095944,1.989634507,1.694466648,1.226056162,1.209523693,0.784181447,0.669487329,0.323206599,0.222831856,0,0,0,5,1,0,5,1,0,0,0,0,0.204124145,0.11785113,0,0,0,0.134137088,0.069549555,0.333333333,0,0.083333333,0,0.240562612,0,0.048112522,0,0.942809042,1.5,1.885618083,0.617984686,0.898018586,1.029974477,8.22576835,5.966326495,4.796180193,3.966326495,3.211142626,2.558078205,1.178511302,0.833333333,0.685480696,0.458948192,0.299761262,0.198316325,0.133797609,0.091359936,0.058925565,0.041666667,7.499635521,5.015855318,3.745617469,2.876148728,2.161126456,1.598597313,0.643681493,0.409171905,0.624969627,0.385835024,0.234101092,0.143807436,0.090046936,0.057092761,0.032184075,0.020458595,16.33462243,27.10269483,25.80392157,26.08,18.38843593,211.1968192,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,3.7343,52.268,70.38474912,101.4858646,140.7694982,11.73079152,70.38474912,5.55E-17,4.63E-18,-44.9159373,75.88583335,6.323819446,5.195076022,140,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,6,0,0,5,0,0,0,0,0,0,0,0,0,0,5,0,0,5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.51742512,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.930824476,0,1.67848108,0,0,1.930824476,0,0,0,0,0,0,0,0,0,0,7.121510062,0,0,10.96446216,0.861064815,0,0,0,1.552962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.552962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.364027778,0,0.237999221,0,0,0.364027778,0,0,0,0,0,0,0,0,0,0,1.406759259,0,0,2.103498441,0.861064815,0,0,0,1.552962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.273796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.412000779,0,0.359305556,0,0,0.412000779,0,0,0,0,0,0,0,0,0,0,1.447751559,0,0,2.273796296,0.861064815,0,0,0,1.552962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.5,1.708333333,0.412000779,2.273796296,0.090694444,0.861064815,7.387487175,0.472268519,0.273796296,1.92892432,0.472268519,0.273796296,1.92892432,6,0.5,0,0,0.47143,0.7,0.44118,0.44118,0.7,0.03025,0.03025,0,0,0.71429,0,0,0,0.16667,0,12.5,1.04167,6.5,0.54167,6,0.5,-0.5,-0.04167,0,0,9.15972,0.76331,14.15801,4.99829,0.41652,4.01,0.33417,5.96631,1.95631,0.16303,-0.05231,-0.00436,0.11969,0.00997,0.428571429,37,0,0,0,0,0,0,0.5,0.985228136,2.20440245,2.72383005,3.512188404,3.878783493,3.878783493,27.58638781,61.72326859,76.26724139,98.34127531,108.6059378,108.6059378,0.204941834,0.458547889,0.566596412,0.730586458,0.806843588,0.806843588,3.822126786,2.602952472,2.083524872,1.295166518,0.928571429,0.928571429,0.197045627,0.44088049,0.54476601,0.702437681,0.775756699,0.775756699,6.75154531,15.75340334,20.08863077,23.83132808,24.20079179,24.20079179,45.10106829,36.73395349,28.71233518,22.18415871,20.95421243,20.95421243,8.591715976,4.296875,2.25,0,6,0,2.78,1.4532,0,0,0,0,15.69030319,9.490205613,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.137,0.144,0.664,0.857,6.043,16,20,24,28,20,20,16,12,8,189,2.833213344,3.238678452,3.682609841,4.112920948,4.534613593,4.203759348,4.383587915,4.305752857,4.1763085,3.944006051,6.358708442,3.05026455,0.428571429,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.076923077,1,0.076923077,0,4,7,0.75,1,0.888888889,0.375,0.062222222,0.138888889,0.078367347,0,0,0,0,0.076923077,0.055555556,0.026785714,0.006222222,0.017361111,0.019591837,0,0,0,0,0.202439517,33.87359092,51.31509801,67.74718183,5.645598486,33.87359092,4.72E-16,3.93E-17,-42.3478579,66.34663729,5.528886441,5.033871694,0,172.5859807,4.584962501,4.077537444,4.875197323,5.686975356,6.502790046,7.323170718,8.144098463,8.966866554,9.789366553,10.61277871,90.97878117,3.295836866,0,4.510859507,0,5.958424693,0,7.497207223,0,9.076466063,9.311361486,160.1252005,5.718757161,24.59443372,2.049536144,0,0,0,198,14,4.809,58,1.235940011,2.142212722,2.899283876,3.785566711,4.622765038,5.67790004,6.684827013,7.780767975,8.646607714,0,97.42169516,118.258865,102.6339691,113.7734286,138.1998428,121.5169548,73.12372386,31.19997497,8.78550682,0,334.4679497,451.7826291,447.0473261,517.3509032,634.9709371,661.5657837,544.4392607,417.5495618,268.7689444,0,9.060820423,15.48169914,20.57881128,26.68464783,32.61475528,39.86905215,46.2682878,53.11317269,58.09192265,0,2.421595415,3.466914761,3.68752602,4.383693452,5.38889637,5.955776698,5.47536868,4.864370742,3.844393373,0,172.8230712,314.6075179,452.7266993,604.926886,736.3336901,916.9057983,1129.840878,1372.022835,1598.910396,0,2.808964666,4.250309687,4.956506967,6.28225274,8.023409509,9.422515774,9.56781667,9.517459597,8.646607714,0,0.497846256,0.720822887,0.777554257,0.929346534,1.142506666,1.27476714,1.194177137,1.085748683,0.88541263,0,308.912282,189.028277,12.34271671,69.53296838,-42.54831539,-4.102471502,239.3793137,231.5765924,16.44518821,0.81626677,0.499486456,0.032614273,0.18373323,-0.112429249,-0.01084033,116.9063859,71.53685361,4.671042515,26.31442163,-16.10220787,-1.552560855,0.101382624,0.100898677,2.108223834,1.364444746,378.4452504,0,1,0,976.4701304,31.24852205,9.920943759,1132.524269,33.65299792,10.42355444,1713.976389,41.40019793,11.96744972,2.071556004,2.071556004,1003.415517,981.5821229,193.2280513,1.022243064,5.19290812,5.079915241,4.751196507,5.162961838,8.931986558,0.730012121,4.871440103,5.750299219,9.29647663,15.72595028,16.72056254,9.869488208,7.355654746,11.19979769,11.4147921,5.470061002,5.259130128,5.431530753,3.868967101,2.704518268,1.175064716,0.169633562,0.629655247,9.73E-15,2.90E-50,1.67E-107,1.85E-186,3.95E-287,0,0,0,0,0,0,0,0,0.409503745,5.74962478,0.75950113,5.435660502,1.101157037,1.368034814,0.250155507,2.486572795,3.036300811,0.412509045,0.855712387,0.9610338,0.488750006,0.137535338,0.090266646,0.001194743,0.004434713,6.85E-17,2.04E-52,1.17E-109,1.30E-188,2.78E-289,0,0,0,0,0,0,0,0,1.320280081,5.749670746,2.464749103,6.389108423,3.546288543,2.703810806,0.935983442,3.919416479,4.286511883,0.979609387,1.285990766,1.65796128,0.895959217,0.502912857,0.29689273,0.012450144,0.046213133,7.14E-16,2.13E-51,1.22E-108,1.35E-187,2.90E-288,0,0,0,0,0,0,0,0,4.598283557,5.75022549,8.760642732,14.69020858,15.50146173,9.2076871,6.650186608,10.54407911,10.73912787,4.9958499,4.823797498,5.08157932,3.561999685,2.491262544,1.103416875,0.15114045,0.561011489,8.67E-15,2.58E-50,1.48E-107,1.64E-186,3.52E-287,0,0,0,0,0,0,0,0,1.945499483,5.749729529,3.646432643,7.384194395,5.445443016,3.739414375,1.633795306,5.005667583,5.281331345,1.507049488,1.720486487,2.200395139,1.259454404,0.800824224,0.443130771,0.027043376,0.1003811,1.55E-15,4.62E-51,2.65E-108,2.94E-187,6.29E-288,0,0,0,0,0,0,0,0,5.882815846,5.75060904,11.29542322,20.02156556,21.53283825,12.48033013,10.27478928,13.76649228,14.10125054,7.412732435,7.059177298,6.813843177,5.119109173,3.557813362,1.446290965,0.247394608,0.918293002,1.42E-14,4.23E-50,2.43E-107,2.69E-186,5.75E-287,0,0,0,0,0,0,0,0,2.79701325,4.699675778,5.147098792,8.668719215,7.887600423,5.588334674,2.979824227,6.923486434,7.426776741,2.572398213,2.642513946,3.336457823,1.89143568,1.232680174,0.596766054,0.05812548,0.215753374,3.33E-15,9.93E-51,5.71E-108,6.32E-187,1.35E-287,0,0,0,0,0,0,0,0,6.469124269,1.29819008,1.025003402,0.735770072,0.147650496,0.52339977,0.460049511,0.382173627,8.792317752,16.35967659,33.76012969,0.603655109,1.365622908,5.748699463,0.671463937,0.535184165,0.826515053,0.096539236,0.413363813,0.137578776,0.118171709,6.955347565,7.296014161,16.31719635,0.73977258,0.669114298,6.000739885,0.889112733,0.708240981,0.789769145,0.11701787,0.450381887,0.227276699,0.194612217,7.598093599,10.21501021,21.59180616,0.684653718,0.872270803,6.44740763,1.279159778,1.010386805,0.737946826,0.146407975,0.519892796,0.447332962,0.372097928,8.736954212,16.05408627,33.12396772,0.606920239,1.339323686,6.126295876,0.998395507,0.793557957,0.773693226,0.12608791,0.469416161,0.281149744,0.238847565,7.91824934,11.77032182,24.54234164,0.660539839,0.989413469,6.538700783,1.359184803,1.07180347,0.72897742,0.151530872,0.534715126,0.502051246,0.415369657,8.969689055,17.35228391,35.84741488,0.593466129,1.452136029,6.47142359,1.283473593,1.009624053,0.738365898,0.146439669,0.523774007,0.447956581,0.368813278,8.764521236,16.13543201,33.28579097,0.607548847,1.340543866 +UMLYSI0073,L,"1,2-diethylbenzene",CCC1=CC=CC=C1CC,aromatic,C10H14,135-01-3,8657,PubChem,,376.3,0,1.626,2.643876,49.2166,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2005.6539,2036.980524,1571.850344,839.524395,197.949024,15.24096,0,4670.34144,5841.481647,7855.078337,8302.13778,7475.682637,5532.713573,2476.657473,466.2561665,0,169.463656,175.052008,300.821808,362.08632,342.6344,378.036588,287.76384,100.77696,0,34.11358067,43.47862034,61.52167806,66.86105701,62.83938397,52.44776311,28.03878168,6.669193573,0,3856.790689,3411.659229,6369.569539,7970.238199,7330.027383,8793.739984,7321.409925,2773.76478,0,48.05555556,58.44444444,86,96.91666667,95.33333333,91,56,15,0,60.70275442,67.17251842,47.75366429,39.94079459,32.74688217,15.54674806,4.713072,1.016064,0,194.59756,243.3950686,187.0256747,162.7870153,155.7433883,102.4576588,58.96803508,31.08374443,0,7.060985667,7.293833667,7.162424,7.099731765,7.138216667,7.000677556,6.85152,6.718464,0,1.421399194,1.811609181,1.464801859,1.311001118,1.309153833,0.971254872,0.66759004,0.444612905,0,160.6996121,142.1524679,151.6564176,156.2791804,152.7089038,162.8470367,174.3192839,184.917652,0,2.002314815,2.435185185,2.047619048,1.900326797,1.986111111,1.685185185,1.333333333,1,0,0.05009305,-0.002638831,-0.010632331,0.001211528,-0.023348571,-0.012083861,0.008934377,0.013511164,0,706.2183858,-4.97E-14,15.13325113,103.4105494,-544.7970405,-418.6866145,176.5545965,315.2760651,0,1313.243245,2.42E-13,28.14092668,192.2963323,-1013.07336,-778.5656381,328.3108113,586.2693058,0,0.138343333,2.23E-15,0.0029645,0.020257417,-0.106722,-0.082017833,0.034585833,0.061760417,0,5.870808328,1.35E-14,0.125803036,0.859654077,-4.528909282,-3.480550652,1.467702082,2.620896575,0,31.89032402,-1.08E-13,0.683364086,4.669654588,-24.6011071,-18.90640638,7.972581004,14.23675179,0,4.49537037,-0.384259259,0.114583333,0.870949074,-2.564814815,-2.295138889,0.202546296,1.808449074,0,0.00208721,-1.10E-04,-2.53E-04,2.38E-05,-4.86E-04,-2.24E-04,2.13E-04,9.01E-04,0,29.42576608,-2.07E-15,0.360315503,2.02765783,-11.34993834,-7.753455823,4.203680868,21.01840434,0,54.71846854,1.01E-14,0.670022064,3.77051632,-21.10569501,-14.41788219,7.816924078,39.08462039,0,0.005764306,9.31E-17,7.06E-05,3.97E-04,-0.002223375,-0.001518849,8.23E-04,0.004117361,0,0.244617014,5.62E-16,0.00299531,0.016855962,-0.094352277,-0.064454642,0.034945288,0.174726438,0,1.328763501,-4.51E-15,0.016270573,0.091561855,-0.512523065,-0.350118637,0.189823357,0.949116786,0,0.187307099,-0.016010802,0.002728175,0.017077433,-0.053433642,-0.042502572,0.004822531,0.120563272,0,-0.052678578,-0.121286643,0.011381435,-0.233051999,-0.107212576,0.101917499,0.43155412,0,-7.04E-17,0.012244898,0.068907563,-0.385714286,-0.263492063,0.142857143,0.714285714,0,1.84E-16,0.012244898,0.068907563,-0.385714286,-0.263492063,0.142857143,0.714285714,0,1.62E-14,0.012244898,0.068907563,-0.385714286,-0.263492063,0.142857143,0.714285714,0,2.30E-15,0.012244898,0.068907563,-0.385714286,-0.263492063,0.142857143,0.714285714,0,-3.40E-15,0.012244898,0.068907563,-0.385714286,-0.263492063,0.142857143,0.714285714,0,-0.085478888,0.014565249,0.091173442,-0.285272915,-0.226913835,0.025746653,0.643666323,0,1.147997249,1.038829437,0.942369913,1.302827722,1.117550233,0.757938881,0.135965859,0,1.15,1.032653061,0.927731092,1.396428571,1.168253968,0.657142857,0,0,1.15,1.032653061,0.927731092,1.396428571,1.168253968,0.657142857,0,0,1.15,1.032653061,0.927731092,1.396428571,1.168253968,0.657142857,0,0,1.15,1.032653061,0.927731092,1.396428571,1.168253968,0.657142857,0,0,1.15,1.032653061,0.927731092,1.396428571,1.168253968,0.657142857,0,0,1.255406797,0.937325291,0.810928697,1.308702369,1.231719876,0.852729145,0,0,39.82915254,19.91457627,26.99552793,39.82915254,3.982915254,19.91457628,-3.55E-15,4.44E-16,4.44E-17,-35.35050621,57.92265274,5.792265274,4.059108547,39.82915254,19.91457627,26.99552793,39.82915254,3.982915254,19.91457628,-3.55E-15,4.44E-16,4.44E-17,-35.35050621,57.92265274,5.792265274,4.059108547,39.82915254,19.91457627,26.99552793,39.82915254,3.982915254,19.91457628,-3.55E-15,4.44E-16,4.44E-17,-35.35050621,57.92265274,5.792265274,4.059108547,39.82915254,19.91457627,26.99552793,39.82915254,3.982915254,19.91457628,-3.55E-15,4.44E-16,4.44E-17,-35.35050621,57.92265274,5.792265274,4.059108547,39.82915254,19.91457627,26.99552793,39.82915254,3.982915254,19.91457628,-3.55E-15,4.44E-16,4.44E-17,-35.35050621,57.92265274,5.792265274,4.059108547,39.82915254,19.91457627,26.99552793,39.82915254,3.982915254,19.91457628,-3.55E-15,4.44E-16,4.44E-17,-35.35050621,57.92265274,5.792265274,4.059108547,46.62438538,22.97525521,31.85780542,46.56660761,4.656660761,22.97525521,-0.144444444,0.040323678,0.004032368,-3.210816427,69.17644539,6.917644539,4.23666042,0,11.89,12.11015511,-0.156849162,0.065468159,5.67659641,9.073758544,10,24,21,18,4,3,0,0,0,6,15.304898,3.826287613,3.077096534,3.073783289,2.527852499,2.381856673,1.692831666,1.473685407,0.752380606,2.010336631,1.633870482,1.569961949,1.050359384,1.006726464,0.785382394,0.564797783,0.239968967,3.836936761,3.113793731,3.104992317,2.560897017,2.422994678,1.780730424,1.565333455,0.881137192,1.978997445,1.553310243,1.496172287,0.969186659,0.912586583,0.653237904,0.436616072,0.072414489,3.886174919,3.278814967,3.248493654,2.709393916,2.604724999,2.144314002,1.936456256,1.398381397,1.896549565,1.31212228,1.2780418,0.739776898,0.641301459,0.211825867,0.003952014,0.509010678,3.844900291,3.141086444,3.128371843,2.585392127,2.453330284,1.84440781,1.631267922,0.97377569,1.959991471,1.501525794,1.448881961,0.918292227,0.853058781,0.564668781,0.350655816,0.041315244,3.911850018,3.360100373,3.320902625,2.783993946,2.694220743,2.305979731,2.097389966,1.618359911,1.873287573,1.236634162,1.21133905,0.671209452,0.558483016,0.056126503,0.152366896,0.724252643,3.857069384,3.162439397,3.149743435,2.672826554,2.506781008,1.889780759,1.686414948,1.101002842,1.955724007,1.473373878,1.380822206,0.821890442,0.782907377,0.48380315,0.266833067,0.179540217,0,0,0,4,2,2,2,0,0,0,0,0,0.083333333,0.11785113,0,0,0,0.027777778,0.03928371,0.333333333,0,0.083333333,0,0.204124145,0,0.041666667,0,1.040440115,1.609475708,1.609475708,0.584163973,0.811834874,0.700446883,7.397341225,4.880540058,3.621112942,3.115251371,2.359372008,1.561834874,0.606493072,0.277368927,0.739734123,0.488054006,0.301759412,0.207683425,0.14746075,0.104122325,0.075811634,0.055473785,6.723614639,3.948670613,2.47581711,1.880189288,1.2473215,0.692209362,0.225176222,0.092456309,0.672361464,0.394867061,0.206318092,0.125345953,0.077957594,0.046147291,0.028147028,0.018491262,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.8114,45.198,43.86422515,62.93606994,87.7284503,8.77284503,43.86422515,1.67E-16,1.67E-17,-36.33133546,65.76402323,6.576402323,4.186072929,80,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,4,0,0,4,0,0,0,0,0,0,0,0,2,0,2,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.61407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.576805556,0,1.290555556,0,0,1.576805556,0,0,0,0,0,0,0,0,4.405740741,0,2.313518519,0,0,8.632592593,0,0,0,0,2.981481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.490740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.285972222,0,0,0.380972222,0,0,0,0,0,0,0,0,2.20287037,0,1.156759259,0,0,2.10912037,0,0,0,0,1.490740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.207175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.407430556,0,0.359305556,0,0,0.407430556,0,0,0,0,0,0,0,0,2.20287037,0,1.156759259,0,0,2.207175926,0,0,0,0,1.490740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.33333333,1.833333333,0.407430556,2.207175926,0.116319444,1.156759259,6.195837407,0.343240741,0.207175926,2.076666667,0.343240741,0.207175926,2.076666667,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.81301,0.6813,11.60458,4.79158,0.47916,2.90022,0.29002,4.88053,1.9803,0.19803,0.03347,0.00335,0.11947,0.01195,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.284159128,2.855388542,3.022055209,3.022055209,3.022055209,23.51685016,54.81981907,68.52932501,72.52932501,72.52932501,72.52932501,0.213713581,0.498184909,0.622772496,0.659123212,0.659123212,0.659123212,3.605093744,2.300803373,1.729573959,1.562907292,1.562907292,1.562907292,0.206076118,0.480381319,0.60051653,0.635568183,0.635568183,0.635568183,6.772325919,16.88939319,19.29712166,19.4650925,19.4650925,19.4650925,37.92632204,28.0806892,24.37142917,23.84310834,23.84310834,23.84310834,8.1,4,1.991111111,2,6,2,2.56,1.28,0.2,3.820639317,1.632993162,0,6.678722918,7.065551058,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.894,12,15,16,15,8,5,2,1,0,94,2.63905733,3.113515309,3.630985476,4.040855877,4.404430044,3.944006051,3.662760043,2.784239339,2.151035195,0,5.800039176,3.503324468,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,0,3,5,0.666666667,1.5,1.111111111,0.5,0.382222222,0.125,0,0,0,0,0,0.15,0.092592593,0.041666667,0.047777778,0.041666667,0,0,0,0,0,0.373703704,24.21752584,32.64616533,48.43505169,4.843505169,24.21752584,3.89E-16,3.89E-17,-35.4840376,44.53434318,4.453434318,3.796260648,0,150.3504702,4.321928095,3.80666249,4.59511985,5.398162702,6.204557763,7.01301579,7.822044008,8.631414336,9.440896383,10.25044039,83.16231371,3.044522438,0,4.234106505,0,5.673323267,0,7.218909708,0,8.808518619,9.041092975,134.1095504,5.587897935,19.56950894,1.956950894,0,0,0,117,12,3.794,44,1.235929323,2.155957082,2.970930824,3.81435209,4.406040861,4.834494033,4.692617447,0,0,0,92.76161773,112.7642324,127.6916724,131.9807635,69.12811475,21.90307864,4.767999654,0,0,0,323.5789178,429.7672866,510.4212114,613.291688,456.7010888,278.4264134,145.8641214,0,0,0,9.045833162,15.49612319,21.15756715,27.26735118,30.87121719,33.09188058,31.52718139,0,0,0,2.362509317,3.315607101,4.061465685,5.107999862,4.322127163,3.174249655,2.086398275,0,0,0,173.7497847,323.1511724,459.5784243,579.6896462,715.438378,845.2746918,867.7478002,0,0,0,3.099754555,4.559745349,5.81065983,7.72938987,7.511048437,6.366446654,4.692617447,0,0,0,0.486472119,0.690463454,0.851164788,1.077299775,0.931882061,0.70584887,0.480524027,0,0,0,277.9192924,142.1751233,10.72528108,95.79259235,-49.00459955,-5.033902765,182.1267001,191.1797229,15.75918384,0.743672609,0.380440465,0.028699331,0.256327391,-0.131129358,-0.01347001,103.8617426,53.13253331,4.008165006,35.79883023,-18.31360126,-1.88122929,0.121267934,0.120188802,3.050224322,2.078876659,373.7118847,0,1,0,729.0594248,27.00110044,9.00024454,865.5271791,29.41984329,9.530014688,1301.910221,36.08199303,10.91927186,1.349953873,1.349953873,587.9536888,392.7083428,261.9109184,1.497176466,2.244861315,1.499396609,4.288622833,4.001863032,6.697982109,0.673715981,4.231360714,4.769139419,3.789941911,14.41020219,9.165238807,6.773026915,9.479119314,8.781229092,5.495860591,6.987007593,3.786320957,0.971326219,1.67E-04,1.24E-28,2.41E-74,9.42E-142,7.16E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0.355218392,4.7688302,0.280150629,5.668710036,2.835733217,1.871706453,0.607640767,1.673110364,1.271873487,0.366803201,0.169337606,0.00684113,1.17E-06,8.77E-31,1.70E-76,6.63E-144,5.05E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,1.146421676,4.768851318,0.928701099,6.698684722,3.628089961,2.600003852,2.00131657,2.864678381,1.926555473,1.328765014,0.64444197,0.071289849,1.22E-05,9.14E-30,1.77E-75,6.91E-143,5.26E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,3.994066058,4.76910563,3.551063871,13.60819019,8.600998365,6.376688061,8.788428546,8.254325522,5.163856069,6.443979678,3.471780723,0.865434174,1.48E-04,1.11E-28,2.15E-74,8.39E-142,6.38E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,1.689557927,4.768878285,1.394063492,7.629712251,4.3203686,3.180769081,3.081901319,3.759659018,2.437592255,2.104731588,1.048735467,0.154851078,2.65E-05,1.98E-29,3.84E-75,1.50E-142,1.14E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,5.109956015,4.769281393,4.701662612,17.68269584,11.45505655,8.349814011,12.20400826,10.83629067,6.808481183,9.153993222,5.056642535,1.416588004,2.43E-04,1.82E-28,3.51E-74,1.37E-141,1.04E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,2.351929816,4.135677306,1.922961349,8.355182968,5.304422198,4.119395092,4.543525753,5.098589703,3.41973114,3.301062045,1.678633451,0.288989619,4.95E-05,3.70E-29,7.17E-75,2.80E-142,2.13E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,3.53121316,2.65796621,0.57565714,0.521995344,0.392909157,0.484742305,0.568160603,0.377422206,6.76483651,12.94869055,25.1165559,0.372356751,1.430325115,2.813321115,1.704281462,0.252108883,0.589830462,0.357313325,0.307941174,0.23309932,0.072255132,4.76971146,5.933618761,11.91211442,0.420715681,0.613295626,3.068154532,2.04311347,0.367070074,0.560052061,0.372944028,0.366100248,0.335261281,0.153294786,5.478338075,8.144781373,15.92413045,0.399494134,0.854656315,3.510037451,2.629877104,0.566127432,0.523414178,0.39216532,0.478950121,0.5561863,0.365014341,6.706041987,12.70694119,24.63888689,0.373369247,1.400150763,3.193604785,2.209804093,0.42361952,0.548067482,0.379233452,0.396587178,0.392348075,0.204232679,5.827028398,9.346230403,18.16284382,0.390951401,0.993167932,3.598868489,2.747688442,0.606097963,0.517625072,0.395199889,0.503484869,0.607262289,0.418447837,6.952654893,13.73520458,26.68130121,0.369237441,1.529194996,3.520236873,2.630076711,0.565376325,0.524180973,0.391631649,0.481766293,0.556248174,0.364006186,6.715689909,12.73573471,24.68595738,0.373718933,1.402020654 +UMLYSI0074,L,1-ethynyl-4-methylbenzene,CC1=CC=C(C=C1)C#C,aromatic,C9H8,766-97-2,13018,PubChem,,374.7,0,2.4191,5.85204481,41.7819,21.174344,6,6,17,9,8,0,9,0,0,0,0,0,0,0,0,0,1306.505601,1395.233793,1735.238579,1530.443889,803.11258,383.438498,194.724601,48.428352,3.048192,4060.322071,4729.545047,6128.776549,6053.815316,4007.996657,1961.027562,944.6308561,458.9464655,93.25123329,121.612356,124.8057,188.512652,216.53658,212.027152,132.089096,49.447972,28.470528,20.155392,28.65700324,34.00845448,45.37427043,47.1466677,34.75630082,17.81873922,8.13230305,4.45417724,1.333838715,2620.490421,2366.129587,3786.961446,4420.312915,4742.724499,3174.623066,1109.119851,612.4901909,554.7529561,55.80555556,56.83333333,71.16666667,84.11111111,72.5,38.66666667,19.16666667,14,3,76.85327065,82.07257606,66.73994535,51.0147963,26.77041933,20.18097358,27.81780014,12.107088,1.016064,238.8424748,278.2085322,235.722175,201.7938439,133.5998886,103.211977,134.9472652,114.7366164,31.08374443,7.153668,7.341511765,7.250486615,7.217886,7.067571733,6.952057684,7.063996,7.117632,6.718464,1.685706073,2.000497322,1.745164247,1.57155559,1.158543361,0.93782838,1.161757579,1.11354431,0.444612905,154.1464954,139.1840933,145.6523633,147.3437638,158.0908166,167.0854245,158.445693,153.1225477,184.917652,3.282679739,3.343137255,2.737179487,2.803703704,2.416666667,2.035087719,2.738095238,3.5,1,0.06710721,-0.013249781,-0.011276375,-0.002573288,-0.026341282,0.016186913,0.0078299,-0.014468947,0.010339255,512.7501558,2.45E-13,34.76982265,-263.9155213,-164.2141022,181.8084703,-25.97263861,-120.6470955,101.7959868,953.4808099,-2.13E-14,64.65596995,-490.7621815,-305.3631352,338.080614,-48.29723056,-224.3484258,189.2939843,0.100444235,8.08E-16,0.00681117,-0.051699239,-0.032168415,0.035615031,-0.005087862,-0.023633938,0.019941135,4.262502853,5.33E-15,0.289042269,-2.193935292,-1.365115293,1.511377646,-0.215911092,-1.002941848,0.846232184,23.15398315,1.64E-14,1.570082191,-11.91749133,-7.415327937,8.209827359,-1.17283248,-5.447996036,4.596746655,10.23529412,-0.743464052,0.877066513,-0.287773933,-2.348231449,0.91349481,0.001153403,-4.748173779,1.21828143,0.003947483,-7.79E-04,-4.34E-04,-8.58E-05,-8.78E-04,8.52E-04,0.001118557,-0.003617237,0.003446418,30.16177387,1.44E-14,1.337300871,-8.797184045,-5.473803406,9.568866856,-3.710376944,-30.16177387,33.9319956,56.08710646,-1.25E-15,2.486768075,-16.35873938,-10.17877117,17.79371652,-6.899604366,-56.08710646,63.09799477,0.005908484,4.76E-17,2.62E-04,-0.001723308,-0.001072281,0.001874475,-7.27E-04,-0.005908484,0.006647045,0.250735462,3.13E-16,0.01111701,-0.073131176,-0.045503843,0.079546192,-0.030844442,-0.250735462,0.282077395,1.361999009,9.67E-16,0.060387777,-0.397249711,-0.247177598,0.432096177,-0.167547497,-1.361999009,1.532248885,0.602076125,-0.04373318,0.033733327,-0.009592464,-0.078274382,0.048078674,1.65E-04,-1.187043445,0.40609381,-0.197441987,-0.109869186,-0.021729356,-0.222431036,0.215819242,0.283359593,-0.916340076,0.8730673,4.78E-16,0.044337607,-0.291666667,-0.181481481,0.317251462,-0.123015873,-1,1.125,-2.24E-17,0.044337607,-0.291666667,-0.181481481,0.317251462,-0.123015873,-1,1.125,8.05E-15,0.044337607,-0.291666667,-0.181481481,0.317251462,-0.123015873,-1,1.125,1.25E-15,0.044337607,-0.291666667,-0.181481481,0.317251462,-0.123015873,-1,1.125,7.10E-16,0.044337607,-0.291666667,-0.181481481,0.317251462,-0.123015873,-1,1.125,-0.072637292,0.056028343,-0.015932312,-0.13000745,0.079854809,2.74E-04,-1.971583653,0.674489144,1.013988545,0.789714602,0.825418272,1.116241412,0.929682484,1.231317571,2.602905907,1.095003572,0.888888889,0.871794872,1.196296296,1.133333333,0.695906433,1.079365079,1.888888889,0,0.888888889,0.871794872,1.196296296,1.133333333,0.695906433,1.079365079,1.888888889,0,0.888888889,0.871794872,1.196296296,1.133333333,0.695906433,1.079365079,1.888888889,0,0.888888889,0.871794872,1.196296296,1.133333333,0.695906433,1.079365079,1.888888889,0,0.888888889,0.871794872,1.196296296,1.133333333,0.695906433,1.079365079,1.888888889,0,0.896551724,0.473474801,0.709237974,1.180374628,1.111850507,1.249954388,5.471264368,0,29.8623666,14.9311833,22.54527489,29.8623666,3.318040733,14.93118485,-3.55E-15,0.018784798,0.0020872,-3.577236604,69.51668236,7.724075817,3.817410082,29.8623666,14.9311833,22.54527489,29.8623666,3.318040733,14.93118485,-3.55E-15,0.018784798,0.0020872,-3.577236604,69.51668236,7.724075817,3.817410082,29.8623666,14.9311833,22.54527489,29.8623666,3.318040733,14.93118485,-3.55E-15,0.018784798,0.0020872,-3.577236604,69.51668236,7.724075817,3.817410082,29.8623666,14.9311833,22.54527489,29.8623666,3.318040733,14.93118485,-3.55E-15,0.018784798,0.0020872,-3.577236604,69.51668236,7.724075817,3.817410082,29.8623666,14.9311833,22.54527489,29.8623666,3.318040733,14.93118485,-3.55E-15,0.018784798,0.0020872,-3.577236604,69.51668236,7.724075817,3.817410082,29.8623666,14.9311833,22.54527489,29.8623666,3.318040733,14.93118485,-3.55E-15,0.018784798,0.0020872,-3.577236604,69.51668236,7.724075817,3.817410082,39.61325582,19.39657581,29.2679118,39.28763853,4.36529317,19.39657583,-0.586111111,0.086631671,0.009625741,-2.201480833,53.40632896,5.934036551,3.580136333,0,11.69,12.31004605,-0.402983445,0.218645931,4.698507738,8.028822888,9,17,13,10,2,3,0,1,0,7,8.745656,3.818094527,3.187868275,2.636049265,2.619181914,1.976840929,0.941428501,0.640916134,0.309580924,1.977707554,1.472797713,1.183476077,1.082250302,0.662929758,0.310513972,0.06325333,0.083923071,3.827329768,3.200817406,2.670760245,2.645815032,2.027843083,1.053336623,0.745233983,0.446081524,1.950479534,1.415450696,1.109459427,1.007167592,0.564998778,0.150156259,0.205978033,0.270913902,3.870000272,3.265977406,2.835445805,2.771820215,2.238412348,1.517793787,1.195410016,0.956863266,1.878988942,1.280913589,0.869551568,0.798620231,0.278485912,0.396843083,0.721504606,0.943918427,3.834233812,3.210752167,2.697145503,2.665925019,2.064596183,1.134811365,0.822813209,0.541690455,1.933984717,1.382061615,1.059958931,0.960278991,0.502964577,0.041902902,0.304847493,0.399277246,3.892246491,3.30376101,2.918638963,2.838078588,2.335555524,1.721464227,1.392852912,1.207644823,1.858834518,1.248031478,0.792447032,0.738564276,0.186823706,0.594311107,0.914084246,1.15957688,3.806327831,3.436511234,2.728913648,2.598557135,2.025945066,1.140025603,0.885848428,0.524625084,2.034088105,1.372295885,1.003425936,0.874982889,0.461440743,0.012467726,0.334636331,0.453781513,1,1,0,4,2,1,0,0,0,0,0,0,0.083333333,0.142258898,0,0,0,0.027777778,0.041666667,0.49279928,0,0,0,0.25,0,0,0,0.90104757,0.937443702,1.069035594,0.336787657,0.283226456,0.290669489,6.690234444,4.325698503,3.534145948,2.712778743,1.73736354,1.373773448,0.686886724,0.11785113,0.743359383,0.480633167,0.321285995,0.226064895,0.144780295,0.098126675,0.08586084,0.058925565,5.386751346,2.86004234,2.010362971,1.218233513,0.649786246,0.44245009,0.159223634,0.016037507,0.598527927,0.317782482,0.18276027,0.101519459,0.054148854,0.031603578,0.019902954,0.008018754,11.16731122,16.55134741,15.90196078,16.04,12.19421796,125.8264934,0.65690066,0.973608671,0.935409458,0.943529412,0.717306939,7.401558436,1.77551,37.372,36.40309101,49.22239066,72.80618203,8.089575781,36.40309101,0.096723867,0.010747096,-2.102305585,57.28426909,6.364918788,3.643223445,77,1,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,0,0,0,0,4,0,0,0,0,0,0,0,0,1,0,0,1,0,4,0,0,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.603823696,0,0,17.79137188,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.603823696,0,0,1.85125,0,0,0,0,1.85125,0,0,0,0,0,0,0,0,2.041961451,0,0,5.149890401,0,7.89787037,0,0,2.554166667,0,2.189444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.603823696,0,0,0.945,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.603823696,0,0,0.447847222,0,0,0,0,0.447847222,0,0,0,0,0,0,0,0,2.041961451,0,0,5.149890401,0,1.939814815,0,0,2.554166667,0,0.945,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.603823696,0,0,5.149890401,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.603823696,0,0,0.477777778,0,0,0,0,0.477777778,0,0,0,0,0,0,0,0,2.041961451,0,0,5.149890401,0,2.00912037,0,0,2.554166667,0,1.244444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.83333333,2.203703704,0.603823696,5.149890401,0.204444444,0.945,4.634186829,0.721666667,1.149890401,2.528518519,0.721666667,1.149890401,2.528518519,4.5,0.5,0,0,0.51176,0.7,0.43333,0.43333,0.7,0.07843,0.07843,0,0,0.71429,0,0,0.22222,0.22222,0,13.5,1.5,4.5,0.5,9,1,4.5,0.5,0,0,3.69243,0.41027,9.88205,6.18962,0.68774,1.5958,0.17731,4.32569,2.72989,0.30332,0.08831,0.00981,0.17431,0.01937,0.352941176,9,0,0,0,0,0,0,0.142857143,0.997502546,2.866587106,3.101881223,3.4548224,3.572469459,3.4548224,16.95754329,48.7319808,52.7319808,58.7319808,60.7319808,58.7319808,0.244039539,0.701312089,0.758876923,0.845224173,0.87400659,0.845224173,3.089960295,1.220875735,0.985581618,0.632640441,0.514993382,0.632640441,0.223683786,0.642814455,0.695577708,0.774722587,0.801104213,0.774722587,6.344815581,21.50275711,24.32628652,25.97518653,24.80055713,24.68198948,30.32476541,22.5311582,19.46067488,17.47542448,18.45775993,18.7033438,7.111111111,3.239669421,2,1,8,0,2.45,1.0531,0.166666667,3.619399318,1.590541458,0,4.883593419,6.597539554,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.085,0.15,0.144,0.638,0.816,3.907,11,12,12,14,8,2,0,0,0,77,2.708050201,3.157000421,3.669951444,4.066887716,4.541298109,4.406719247,3.840795496,0,0,0,5.890262042,4.681818182,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,0,3,6,1,2,0.888888889,0.25,0.342222222,0.118055556,0,0,0,0,0,0.222222222,0.080808081,0.027777778,0.085555556,0.059027778,0,0,0,0,0,0.475391414,20.69044905,31.20338714,41.3808981,4.597877567,20.69044905,0.05682378,0.006313753,-2.581020349,58.78058292,6.53117588,3.66643042,0,127.7815681,4.169925001,3.713572067,4.465908119,5.252273428,6.02827852,6.816735881,7.598399329,8.386400901,9.169830829,9.957265258,79.38866433,2.944438979,0,4.143134726,0,5.556828062,0,7.055312843,0,8.590257762,8.836955157,116.0626003,6.82721178,17.54959443,1.949954937,0,0,0,90,9,2.89,40,1.231959044,2.201774391,3.094424406,3.93977241,5.029854769,6.270643919,7.30180155,8.216472377,0,0,109.060249,157.0675687,165.0076238,115.1036643,107.1089398,181.8327653,88.40355392,8.348461789,0,0,361.3168736,545.1395594,643.7107969,558.0069201,538.0604179,859.1662855,837.7840032,255.3987275,0,0,9.069881328,16.01197155,22.37430842,27.93304456,35.02249396,44.29224233,51.97153637,55.20207387,0,0,2.56531547,3.993499501,4.977243379,4.770197615,4.841509774,7.339182881,8.130879569,3.653149651,0,0,169.8852723,317.4042211,453.1994241,616.2373378,836.3115247,994.2981476,1118.070456,1519.37078,0,0,4.18545573,6.253572977,8.920599558,9.938034422,10.57624768,17.3962891,25.30900894,8.216472377,0,0,0.525409756,0.823338681,1.036035547,1.011406868,1.038480819,1.557100929,1.752432372,0.841366771,0,0,213.1352667,102.9422244,12.05665519,136.6129419,-65.98269889,-10.4100201,76.52232481,168.9249233,22.46667529,0.609396307,0.294332385,0.034472386,0.390603693,-0.188657718,-0.029764327,74.54367775,36.00385859,4.216793555,47.78013173,-23.07733074,-3.640885882,0.256114979,0.236637365,7.660145292,12.4131326,349.7482087,0,1,0,722.1973054,26.87372891,8.97191784,800.9559671,28.30116547,9.286873867,1176.213355,34.29596704,10.55590246,2.257931759,2.257931759,559.9319802,475.1450414,88.15940818,1.17844433,6.351358202,5.389612422,3.93681893,4.398462865,8.22224436,0.869344954,2.735141911,1.903380492,2.941006116,6.882629066,0.01554531,6.954404821,3.273929605,5.786647433,0.838633447,2.552055011,2.139833435,1.114620923,0.46243428,1.59E-04,0.044161993,0.001007764,8.72E-27,1.68E-71,6.71E-138,5.40E-226,0,0,0,0,0,0,0,0,0,0,0.239935916,1.903319213,0.235680525,3.455616287,0.001764062,2.945036967,1.223760517,0.577545913,0.019295776,1.100545591,0.179581392,0.023223741,0.038974606,1.33E-05,0.001528447,7.10E-06,6.14E-29,1.18E-73,4.72E-140,3.80E-228,0,0,0,0,0,0,0,0,0,0,0.749260655,1.903323494,0.766038129,3.937947578,0.00457689,3.486075501,1.640838018,1.498179805,0.074048071,1.348666265,0.579710625,0.098406068,0.125411712,4.31E-05,0.006369003,7.40E-05,6.40E-28,1.23E-72,4.92E-139,3.96E-227,0,0,0,0,0,0,0,0,0,0,2.582387188,1.90337383,2.767655731,6.595993376,0.014701555,6.610833795,3.147922426,5.417283434,0.748678242,2.446156049,2.01982821,0.99559211,0.436510368,1.50E-04,0.0401858,8.98E-04,7.77E-27,1.49E-71,5.98E-138,4.81E-226,0,0,0,0,0,0,0,0,0,0,1.098896122,1.903328875,1.136601801,4.333542604,0.006507874,3.939835098,1.927566033,2.172523268,0.145035006,1.533294023,0.8543868,0.19384042,0.184748088,6.35E-05,0.010838559,1.61E-04,1.39E-27,2.67E-72,1.07E-138,8.61E-227,0,0,0,0,0,0,0,0,0,0,3.300723895,1.903408464,3.591624004,8.031154002,0.018669444,8.337902032,3.741042115,7.21153703,1.216882384,2.963497247,2.58415877,1.614616411,0.558418876,1.92E-04,0.060435261,0.001469729,1.27E-26,2.44E-71,9.78E-138,7.88E-226,0,0,0,0,0,0,0,0,0,0,1.328105255,1.32442167,1.08404705,4.485657896,0.006586913,5.195805931,1.802425699,2.495093065,0.188715366,2.077498713,1.099437913,0.252296801,0.381042363,6.79E-05,0.012354483,2.08E-04,1.79E-27,3.45E-72,1.38E-138,1.11E-226,0,0,0,0,0,0,0,0,0,0,5.671014644,1.49186471,0.098387822,0.780995177,0.205455146,0.423960948,0.412584603,0.117668541,7.261267176,9.165126714,17.2587929,0.671492766,0.954214092,4.23616354,0.744997612,0.014518766,0.847965364,0.149128372,0.236554266,0.10292357,0.002562266,4.995679918,3.228252035,8.269752189,0.771948046,0.342040102,4.682011437,0.977083547,0.040579752,0.821452391,0.171427948,0.288971526,0.177017661,0.020016518,5.699674735,4.80436101,10.6896766,0.732178586,0.486005705,5.619685818,1.465149052,0.095387659,0.78266179,0.204053432,0.41632029,0.397944421,0.11060168,7.180222529,8.909483161,16.8750969,0.673992685,0.924866391,4.924755613,1.103438251,0.05476856,0.80959823,0.18139817,0.3197147,0.225747552,0.036461512,6.082962424,5.764319218,12.14490296,0.714397345,0.581923765,5.839576159,1.579596868,0.108240185,0.775774625,0.209845909,0.449541377,0.462521213,0.142415015,7.527413213,10.02722888,18.55306863,0.663661937,1.054477605,5.69773269,1.455260043,0.094713617,0.786142873,0.200789046,0.427962824,0.392599205,0.109043733,7.24770635,8.969168534,17.00221015,0.679214309,0.929605762 +UMLYSI0075,L,"1,3-diisopropylbenzene",CC(C)C1=CC(=CC=C1)C(C)C,aromatic,C12H18,99-62-7,7450,PubChem,,353.3,0,2.158,4.656964,57.0512,33.122274,6,6,30,12,18,0,12,0,0,0,0,0,0,0,0,0,1749.458604,1949.097036,2635.202992,2662.470231,2120.804627,1593.187688,979.72426,314.955648,36.578304,5641.710221,7147.461916,10132.42739,11377.3906,10254.71742,8128.44127,5831.895497,3499.688659,1119.0148,211.418544,218.603568,386.328256,491.871516,549.84782,483.722144,358.703248,332.066304,241.864704,41.46983229,53.51059758,78.90990692,92.59985307,88.56208364,72.17625497,53.45821149,37.39577316,16.00606457,4850.05001,4277.738132,8228.907762,10615.66438,12448.82622,11213.29808,8180.863732,8112.964794,6657.035473,59.11111111,71.11111111,107.4444444,139.1111111,142.7777778,115,87,72,36,58.3152868,64.9699012,48.80005541,38.58652509,27.18980291,23.08967664,19.21027961,6.561576,1.016064,188.0570074,238.2487305,187.6375442,164.8897189,131.4707361,117.8034967,114.3508921,72.9101804,31.08374443,7.0472848,7.2867856,7.154226963,7.128572696,7.049331026,7.010465855,7.03339702,6.918048,6.718464,1.382327743,1.783686586,1.461294573,1.342026856,1.135411329,1.046032681,1.048200225,0.779078607,0.444612905,161.6683337,142.5912711,152.3871808,153.8502084,159.6003362,162.5115663,160.4090928,169.0200999,184.917652,1.97037037,2.37037037,1.989711934,2.01610306,1.83048433,1.666666667,1.705882353,1.5,1,0.056619232,-0.008304682,0.003015977,-0.012062369,-0.025927658,0.009429522,-0.008507668,-0.005910089,0.01995735,871.6752648,-1.03E-12,174.335053,-237.2893776,-256.6599391,-116.2233686,-464.8934746,-232.4467373,697.3402118,1620.917377,5.83E-13,324.1834754,-441.2497303,-477.2701165,-216.1223169,-864.4892676,-432.2446338,1296.733901,0.1707552,2.73E-15,0.03415104,-0.04648336,-0.05027792,-0.02276736,-0.09106944,-0.04553472,0.13660416,7.246254851,1.72E-14,1.44925097,-1.972591598,-2.133619484,-0.966167313,-3.864669254,-1.932334627,5.797003881,39.36177136,-3.45E-13,7.872354271,-10.71514887,-11.5898549,-5.248236181,-20.99294472,-10.49647236,31.48941709,5.777777778,-1.777777778,2.555555556,-0.444444444,-3,-0.555555556,-1,-2.666666667,4,0.001887308,-2.77E-04,5.59E-05,-1.75E-04,-3.32E-04,1.37E-04,-1.67E-04,-1.23E-04,5.54E-04,29.05584216,-3.43E-14,3.228426907,-3.438976488,-3.290512039,-1.684396647,-9.115558325,-4.84264036,19.37056144,54.03057923,1.94E-14,6.003397692,-6.394923628,-6.118847647,-3.132207491,-16.95076995,-9.005096538,36.02038615,0.00569184,9.10E-17,6.32E-04,-6.74E-04,-6.45E-04,-3.30E-04,-0.001785675,-9.49E-04,0.00379456,0.241541828,5.72E-16,0.026837981,-0.028588284,-0.027354096,-0.014002425,-0.075777829,-0.040256971,0.161027886,1.312059045,-1.15E-14,0.145784338,-0.155292013,-0.148587883,-0.076061394,-0.411626367,-0.218676508,0.87470603,0.192592593,-0.059259259,0.047325103,-0.006441224,-0.038461538,-0.00805153,-0.019607843,-0.055555556,0.111111111,-0.146675987,0.029593176,-0.092627681,-0.176127008,0.072409887,-0.088388883,-0.065239417,0.293736322,-1.18E-15,0.111111111,-0.118357488,-0.113247863,-0.057971014,-0.31372549,-0.166666667,0.666666667,3.59E-16,0.111111111,-0.118357488,-0.113247863,-0.057971014,-0.31372549,-0.166666667,0.666666667,1.60E-14,0.111111111,-0.118357488,-0.113247863,-0.057971014,-0.31372549,-0.166666667,0.666666667,2.37E-15,0.111111111,-0.118357488,-0.113247863,-0.057971014,-0.31372549,-0.166666667,0.666666667,-8.76E-15,0.111111111,-0.118357488,-0.113247863,-0.057971014,-0.31372549,-0.166666667,0.666666667,-0.307692308,0.245726496,-0.033444816,-0.199704142,-0.04180602,-0.101809955,-0.288461538,0.576923077,1.300411833,0.865397711,1.157580375,1.227351911,1.039454208,1.088055105,0.967427561,0,1.208333333,0.969650206,1.16747182,1.084401709,0.992351047,1.263616558,1.006944444,0,1.208333333,0.969650206,1.16747182,1.084401709,0.992351047,1.263616558,1.006944444,0,1.208333333,0.969650206,1.16747182,1.084401709,0.992351047,1.263616558,1.006944444,0,1.208333333,0.969650206,1.16747182,1.084401709,0.992351047,1.263616558,1.006944444,0,1.208333333,0.969650206,1.16747182,1.084401709,0.992351047,1.263616558,1.006944444,0,1.561538462,0.671296296,1.091137124,1.265532544,0.929487179,1.049773756,1.254807692,0,57.25928245,28.62964123,41.12354887,57.25928245,4.771606871,28.62964123,-3.55E-15,6.11E-16,5.09E-17,-42.03846297,4000032.03,333336.0025,18.24217551,57.25928245,28.62964123,41.12354887,57.25928245,4.771606871,28.62964123,-3.55E-15,6.11E-16,5.09E-17,-42.03846297,4000032.03,333336.0025,18.24217551,57.25928245,28.62964123,41.12354887,57.25928245,4.771606871,28.62964123,-3.55E-15,6.11E-16,5.09E-17,-42.03846297,4000032.03,333336.0025,18.24217551,57.25928245,28.62964123,41.12354887,57.25928245,4.771606871,28.62964123,-3.55E-15,6.11E-16,5.09E-17,-42.03846297,4000032.03,333336.0025,18.24217551,57.25928245,28.62964123,41.12354887,57.25928245,4.771606871,28.62964123,-3.55E-15,6.11E-16,5.09E-17,-42.03846297,4000032.03,333336.0025,18.24217551,57.25928245,28.62964123,41.12354887,57.25928245,4.771606871,28.62964123,-3.55E-15,6.11E-16,5.09E-17,-42.03846297,4000032.03,333336.0025,18.24217551,72.08970797,35.68187025,51.42873969,71.9480413,5.995670109,35.68187025,-0.283333333,1.11E-16,9.25E-18,-44.08416068,4000036.442,333336.3702,18.24217684,0,11.89,12.11019763,-0.151635906,0.071654363,6.228058449,9.388139657,12,30,27,24,6,3,0,0,0,6,19.677726,3.845512612,3.340371362,3.098333688,2.52972195,2.425252947,2.333552793,2.333552793,1.278579048,2.02720021,1.766079734,1.591081682,1.249629723,1.249629723,1.017399658,0.931053291,0.469546971,3.856002839,3.366623878,3.131032052,2.559597049,2.45685011,2.405454588,2.405454588,1.37238096,1.996104384,1.700343809,1.520221647,1.134540686,1.134540686,0.940952308,0.852427074,0.324006038,3.904479906,3.487254786,3.277464272,2.704236987,2.704236987,2.696582038,2.600368401,1.766181616,1.914696975,1.512226714,1.306964996,0.76031856,0.76031856,0.724989298,0.629862709,0.160091604,3.863844992,3.386262515,3.155304961,2.581912753,2.48038509,2.457539916,2.457539916,1.440777584,1.977292862,1.658849616,1.474528043,1.058262671,1.058262671,0.892963973,0.803097692,0.226637126,3.929772019,3.54861304,3.349445892,2.838982085,2.838982085,2.766466851,2.672794983,1.942903631,1.89179166,1.455953671,1.240088994,0.661023287,0.631337262,0.631337262,0.563328478,0.329920456,3.868827094,3.355696847,3.190587376,2.658285743,2.571572866,2.571572866,2.534485271,1.472760299,1.979621846,1.668129912,1.411076018,0.935209229,0.935209229,0.803437298,0.737603728,0.154054155,0,0,0,4,2,4,0,2,0,0,0,0,0.083333333,0.096225045,0,0,0,0.027777778,0.032075015,1,0,0.333333333,0,0.769800359,0,0.19245009,0,2.037628058,2.011746865,2.566134155,1.258903002,1.004605765,1.148943332,9.137828202,5.609060905,5.174799103,3.640946858,2.477797146,1.942739908,1.090334534,0.54203502,0.761485683,0.467421742,0.323424944,0.202274825,0.130410376,0.088306359,0.064137326,0.045169585,8.464101615,4.708118551,3.979522067,2.244016936,1.277243392,0.884900179,0.494859849,0.19245009,0.705341801,0.392343213,0.248720129,0.124667608,0.067223336,0.040222735,0.029109403,0.016037507,16.87645023,28.99053168,27.52941176,27.84,19.18699042,227.4823796,0.562548341,0.966351056,0.917647059,0.928,0.639566347,7.582745988,3.9334,54.62,54.48701467,77.3502201,108.9740293,9.081169112,54.48701467,2.22E-16,1.85E-17,-43.25238407,4000028.139,333335.6782,18.24217434,112,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,6,0,0,4,0,0,0,0,0,0,0,0,4,0,0,0,0,4,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.77314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.444861111,0,1.8625,0,0,1.444861111,0,0,0,0,0,0,0,0,8.942222222,0,0,0,0,8.882037037,1.28462963,0,0,0,2.891111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.445555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331944444,0,0.285972222,0,0,0.331944444,0,0,0,0,0,0,0,0,2.235555556,0,0,0,0,2.157407407,0.642314815,0,0,0,1.445555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.314814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.37875,0,0.359305556,0,0,0.37875,0,0,0,0,0,0,0,0,2.235555556,0,0,0,0,2.314814815,0.642314815,0,0,0,1.445555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22,1.833333333,0.37875,2.314814815,0.096319444,0.642314815,7.642958889,0.691018519,0.314814815,3.648518519,0.691018519,0.314814815,3.648518519,6,0.5,0,0,0.46,0.7,0.43333,0.43333,0.7,0.02667,0.02667,0,0,0.71429,0,0,0.33333,0.33333,0,12,1,6,0.5,6,0.5,0,0,0,0,10.39174,0.86598,15.99011,5.59836,0.46653,3.69639,0.30803,5.60903,1.91264,0.15939,0.30497,0.02541,0.39097,0.03258,0.2,12,0,0,0,0,0,0,0.5,0.970950594,2.196791632,2.672905595,2.939572262,3.006238929,2.939572262,29.12851783,65.90374896,80.18716786,88.18716786,90.18716786,88.18716786,0.197874922,0.447695254,0.544724922,0.599070268,0.612656604,0.599070268,3.935940001,2.710098964,2.233985,1.967318334,1.900651667,1.967318334,0.192481113,0.435491673,0.529876439,0.582740403,0.595956394,0.582740403,6.79089428,16.46082494,19.13909951,20.14066451,20.20785285,19.40785285,46.03075755,33.58909948,29.05785883,27.19280572,26.99901302,28.16176925,10.08333333,4.296875,2.777777778,3,6,3,2.78,1.5618,1.44224957,4.36819338,6.36216583,0,3.532775529,7.883079778,0,2.941682753,0,0,0,0,0,0,0,0,0,0,0,0.003,0.165,0.152,0.451,0.642,5.436,16,18,19,22,17,12,4,0,0,132,2.772588722,3.277144733,3.743604354,4.1763085,4.632906941,4.453620288,4.406719247,3.056356895,0,0,6.102278913,3.377840909,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.166666667,6,0.5,0,3,6,1,3,1.555555556,0.75,0.542222222,0.472222222,0,0,0,0,0,0.25,0.097222222,0.05,0.049292929,0.059027778,0,0,0,0,0,0.505542929,33.88885828,49.37217306,67.77771656,5.648143047,33.88885828,5.00E-16,4.16E-17,-42.27926781,4000028.891,333335.7409,18.24217457,0,184.9424394,4.584962501,4.043051268,4.828313737,5.659482216,6.475432717,7.305860033,8.129469765,8.958925939,9.784760321,10.61371306,89.79900906,3.218875825,0,4.48863637,0,5.953243334,0,7.500529485,0,9.089866219,9.321971188,162.1408506,5.404695019,23.24219801,1.936849834,0,0,0,197,15,4.802,56,1.238676791,2.155925876,2.979863631,3.688090172,4.475798596,5.67327447,6.645838501,7.339653928,0,0,90.65360312,116.2419264,123.5692811,115.1551494,120.5424179,121.9537983,45.89902275,7.457558129,0,0,318.8911308,434.5067139,515.3158185,524.9073798,582.6885866,687.4231615,501.835307,228.1439269,0,0,9.058536843,15.48571966,21.29424333,26.0793818,31.528468,39.99666249,46.05871379,49.31120069,0,0,2.338423743,3.328704873,4.143637322,4.424336917,5.039316527,6.18779625,5.315858538,3.263304854,0,0,174.5970674,324.1871461,454.7413776,582.9550493,716.1328729,903.1680853,1116.710149,1357.231571,0,0,3.005641011,4.465373207,6.14501401,6.947711953,7.776308229,9.909629886,10.17539767,7.339653928,0,0,0.481906195,0.692466329,0.869315789,0.936621581,1.071701399,1.323172211,1.166201205,0.751580562,0,0,350.7893194,210.2621651,11.33409302,83.46472097,-50.02852701,-4.808348173,267.3245984,260.2906921,16.14244119,0.80779748,0.484191615,0.026100144,0.19220252,-0.115205668,-0.011072662,152.3316793,91.30719473,4.921875688,36.24489231,-21.72508999,-2.088044622,0.103965904,0.102148393,1.872150137,1.458442866,434.2540404,0,1,0,853.222563,29.20997369,9.48463838,1028.438462,32.06927598,10.0939102,1597.490952,39.96862459,11.689954,1.685481032,1.685481032,1046.780272,1000.178583,252.0611861,1.046593368,4.152881641,3.967999195,4.985937737,4.475177781,8.68255832,0.940159418,5.346962927,6.666030739,4.921214252,17.22887675,8.399050043,9.635402907,12.75803341,8.32009658,9.249026429,10.99612775,13.51577575,6.43716537,8.92788369,8.880776314,1.888875384,2.42578057,4.26E-05,9.55E-30,4.18E-76,3.54E-144,5.76E-234,0,0,0,0,0,0,0,0,0,0.448843155,6.665779595,0.310732355,9.579352547,2.125897395,3.067054482,0.952998382,1.735079828,3.351301145,0.594120081,2.68783769,1.636905521,0.795326382,0.383037467,0.042043274,0.017084971,3.00E-07,6.73E-32,2.95E-78,2.49E-146,4.06E-236,0,0,0,0,0,0,0,0,0,1.448653825,6.66579699,1.069830038,10.88934753,2.770443317,4.348577169,2.518847344,2.888425442,4.49257103,2.134295852,4.356856675,2.089952267,1.463412361,1.475197972,0.212470795,0.178038569,3.12E-06,7.01E-31,3.07E-77,2.59E-145,4.23E-235,0,0,0,0,0,0,0,0,0,5.047103545,6.666003382,4.574578296,16.67162863,7.790038239,9.212344219,11.73682547,7.849469024,8.865832623,10.15304433,12.66144062,5.956936536,8.079098015,8.133287751,1.702742997,2.161326815,3.79E-05,8.51E-30,3.73E-76,3.15E-144,5.13E-234,0,0,0,0,0,0,0,0,0,2.134992506,6.665818987,1.644966357,11.86327457,3.401727124,5.245885148,3.844298332,3.736812536,5.294598795,3.364711436,5.66327759,2.557369104,2.216560658,2.415676497,0.390793001,0.386723563,6.78E-06,1.52E-30,6.67E-77,5.64E-145,9.19E-235,0,0,0,0,0,0,0,0,0,6.457207253,6.666145633,6.277756142,19.39311141,10.9093876,11.22558494,16.8780449,10.13925699,10.69295811,14.35190159,16.89637866,8.426834789,12.46899415,11.90643018,2.661006069,3.537772983,6.21E-05,1.39E-29,6.10E-76,5.16E-144,8.40E-234,0,0,0,0,0,0,0,0,0,3.071077065,5.286157351,2.153542862,12.87843438,4.748899162,7.033819848,5.817684817,4.770105139,6.087249984,4.656939267,7.192862588,3.493568491,3.439112271,3.882487957,0.673200535,0.721719839,1.27E-05,2.84E-30,1.24E-76,1.05E-144,1.71E-234,0,0,0,0,0,0,0,0,0,7.614686703,1.455611192,1.198759912,0.741517561,0.141747298,0.64404784,0.338300992,0.429090385,10.26905781,21.9571327,45.51327318,0.612276342,1.411439218,5.534681968,0.929271063,0.633498045,0.779812627,0.130930253,0.340236586,0.137883796,0.119767386,7.097451076,9.238121405,19.59379217,0.66971894,0.597887768,6.289408591,1.120255401,0.838608272,0.762512244,0.135816977,0.439362067,0.200380714,0.209929844,8.248272264,13.25954946,27.41644087,0.643768366,0.849672625,7.555342864,1.440594644,1.182633231,0.742279349,0.141532115,0.634047728,0.331357234,0.417618701,10.17857074,21.5230811,44.57365245,0.613419024,1.383023663,6.654231129,1.212572914,0.93775255,0.755771294,0.137721065,0.491815226,0.234765744,0.262527063,8.804556593,15.44585598,31.81689449,0.633656941,0.989108034,7.803494029,1.503387506,1.250068107,0.739180757,0.142407377,0.67638454,0.360872041,0.466622532,10.55694964,23.36591121,48.58825414,0.608771136,1.503879113,7.556780386,1.442637147,1.184773861,0.742010838,0.14165456,0.634290405,0.332297594,0.419139953,10.18419139,21.56396675,44.66419799,0.613016256,1.385727952 +UMLYSI0076,L,(1-propenyl)-benzene,CC=CC1=CC=CC=C1,aromatic,C9H10,637-50-3,252325,UML,,352.2,0,2.1151,4.47364801,45.7868,22.50793,0,0,19,9,10,0,9,0,0,0,0,0,0,0,0,0,1308.537729,1419.447969,1651.509898,1392.276152,924.178589,608.387979,274.479577,55.5408,3.048192,4122.48956,4959.018279,6278.942729,5816.80088,4233.124071,3063.365801,1850.636765,676.5326765,93.25123329,135.049284,139.040964,216.560296,249.306848,212.050868,162.57918,139.183012,75.499776,20.155392,29.54622905,36.2355431,48.15309198,47.02544513,35.7627251,26.62399777,17.92585924,7.566467574,1.333838715,2990.325725,2672.374682,4425.779828,5403.024471,4748.191412,3633.604648,3322.278701,1906.913755,554.7529561,44.77777778,54,74,75.66666667,59.66666667,46,33,15,3,68.87040679,74.70778784,55.05032993,39.77931863,30.80595297,26.45165126,13.72397885,5.049163636,1.016064,216.9731347,261.0009621,209.298091,166.1943109,141.1041357,133.1898174,92.53183827,61.50297059,31.08374443,7.107857053,7.317945474,7.218676533,7.1230528,7.068362267,7.06866,6.9591506,6.863616,6.718464,1.555064687,1.907133847,1.605103066,1.343584147,1.192090837,1.15756512,0.896292962,0.687860689,0.444612905,157.3855645,140.651299,147.5259943,154.3721278,158.2730471,157.9828108,166.1139351,173.3557959,184.917652,2.356725146,2.842105263,2.466666667,2.161904762,1.988888889,2,1.65,1.363636364,1,0.059541121,-0.002941259,-0.022583921,-0.005582548,-0.002376537,-0.006324647,-6.83E-04,0.005685963,0.005035755,573.4705689,3.91E-13,-96.24915397,-87.86508132,-70.76157313,-158.9620174,-23.81076631,69.4201215,81.49318611,1066.393011,-2.84E-14,-178.9794118,-163.3888707,-131.5841669,-295.5966592,-44.27713672,129.0896803,151.5400595,0.112338947,9.37E-16,-0.018854548,-0.017212166,-0.013861706,-0.031139568,-0.004664366,0.013598925,0.015963956,4.767272928,8.22E-15,-0.800121246,-0.730424273,-0.588242449,-1.321454601,-0.197939402,0.577090933,0.677454574,25.89590221,5.55E-14,-4.346271306,-3.967676245,-3.195342319,-7.178162367,-1.075209975,3.134767109,3.679943998,4.49122807,-0.362573099,-0.72299169,-0.58910434,-0.009541397,-1.337334564,-0.312403817,0.464142813,0.624192059,0.003133743,-1.55E-04,-7.53E-04,-1.60E-04,-7.92E-05,-2.75E-04,-3.42E-05,5.17E-04,0.001678585,30.18266152,2.06E-14,-3.208305132,-2.510430895,-2.358719104,-6.911392059,-1.190538316,6.310920137,27.16439537,56.12594795,-1.50E-15,-5.965980393,-4.668253448,-4.386138895,-12.85202866,-2.213856836,11.73542548,50.51335315,0.005912576,4.93E-17,-6.28E-04,-4.92E-04,-4.62E-04,-0.001353894,-2.33E-04,0.001236266,0.005321319,0.250909101,4.32E-16,-0.026670708,-0.020869265,-0.019608082,-0.057454548,-0.00989697,0.052462812,0.225818191,1.362942221,2.92E-15,-0.14487571,-0.113362178,-0.106511411,-0.312094016,-0.053760499,0.284978828,1.226647999,0.236380425,-0.019082795,-0.024099723,-0.016831553,-3.18E-04,-0.058144981,-0.015620191,0.042194801,0.20806402,-0.049398784,-0.240223054,-0.050898032,-0.025279001,-0.087749587,-0.010903352,0.164948331,0.535648525,6.81E-16,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,-2.67E-17,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,8.34E-15,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,1.72E-15,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,2.14E-15,-0.106296296,-0.083174603,-0.078148148,-0.228985507,-0.039444444,0.209090909,0.9,-0.080729167,-0.101953125,-0.071205357,-0.001345486,-0.245980525,-0.066080729,0.178503788,0.880208333,1.031178003,1.173701408,1.012748308,1.043998422,1.095532648,0.862302711,0.585901658,0.180736288,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1,1.076666667,1.031428571,1.013333333,1.156521739,0.95,0.690909091,0,1.08984375,1.046484375,1.005133929,0.9203125,1.219769022,1.001953125,0.728693182,0,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,33.64855921,16.67862746,25.36668014,33.64855921,3.738728801,16.67862772,3.55E-15,0.169966034,0.018885115,-1.594940997,69.80113671,7.755681857,3.821085265,35.86316424,17.61124769,27.02949208,35.84670333,3.982967037,17.6112478,-0.02962963,0.173747988,0.019305332,-1.575134436,63.76202664,7.084669626,3.739642037,0,11.85,12.15009716,-0.207938173,0.092233994,5.456042062,8.612755408,9,19,15,15,5,4,4,0,0,4,10.93207,3.765428653,3.258839911,2.64911457,2.625632713,2.020475955,0.932607949,0.926938202,0.705636383,1.952505542,1.650956488,1.152402844,1.102295258,0.801603097,0.305911373,0.298796655,0.228496171,3.776691301,3.282125781,2.675203415,2.656953789,2.079793726,1.042649032,1.040358538,0.841603787,1.921759287,1.588063217,1.071392144,1.028724763,0.698724205,0.145009386,0.137862753,0.059540287,3.828060316,3.390255786,2.804946338,2.79848862,2.32886479,1.509333156,1.504217428,1.375970038,1.838735379,1.412948404,0.83613095,0.824694856,0.376126744,0.404709933,0.410437301,0.529562477,3.785078284,3.299589378,2.694893082,2.680630738,2.122918188,1.123129086,1.122815948,0.938483976,1.902900841,1.548795732,1.019796144,0.982818829,0.631647147,0.03633571,0.02924343,0.055298127,3.854384749,3.446236968,2.881717314,2.863278479,2.442783452,1.714330405,1.707986516,1.600004556,1.814727766,1.361976954,0.766049172,0.765965708,0.26770109,0.603646471,0.607690939,0.749546954,3.781442792,3.330074143,2.728739464,2.686701954,2.168972452,1.202484343,1.195717719,1.025879058,1.899605372,1.504204009,0.988912544,0.933462583,0.574045556,0.05884255,0.063790468,0.154431551,0,0,0,7,1,1,0,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.018518519,0.204124145,0,0,0,0.096225045,0,0,0,0.433012702,0.65464793,0.637136847,0.166666667,0.21593063,0.175261141,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,5.541451884,3.11004234,1.910683603,1.158689248,0.75660012,0.431861261,0.138224104,0.05842038,0.615716876,0.34556026,0.19106836,0.105335386,0.06305001,0.035988438,0.023037351,0.014605095,11.70913902,18.43918427,17.62745098,17.8,12.99277246,142.1120539,0.616270475,0.970483383,0.927760578,0.936842105,0.683830129,7.479581784,2.53699,40.088,37.50463196,54.26687178,75.00926391,8.334362657,37.50463196,0.136437528,0.015159725,-1.792699594,35.3218919,3.924654656,3.208052645,81,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,1,0,7,0,0,0,0,0,0,0,0,1,0,0,0,7,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.64583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.020731293,0,0,0,0.344893707,0,3.020731293,0,0,0,0,0,0,0,0,2.020833333,0,0,0,14.38194444,0,0,0,0,1.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.3875,0,0,0,0.344893707,0,0.3875,0,0,0,0,0,0,0,0,2.020833333,0,0,0,2.020833333,0,0,0,0,1.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.444897959,0,0,0,0.344893707,0,0.444897959,0,0,0,0,0,0,0,0,2.020833333,0,0,0,2.083333333,0,0,0,0,1.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.66666667,1.962962963,0.444897959,2.083333333,0.234375,1.263888889,4.721736111,0.402777778,0.083333333,0.805555556,0.402777778,0.083333333,0.805555556,4.5,0.5,0,0,0.48947,0.7,0.43333,0.43333,0.7,0.05614,0.05614,0,0,0.71429,0,0,0.11111,0.11111,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,4.35638,0.48404,9.45555,5.09916,0.56657,1.99494,0.22166,4.43185,2.4369,0.27077,-0.01785,-0.00198,0.06815,0.00757,0.315789474,9,0,0,0,0,0,0,0.111111111,0.998000884,2.147077673,2.825845934,3.536886724,3.787143961,3.576617645,18.96201679,40.79447579,53.69107275,67.20084775,71.95573525,67.95573525,0.234938304,0.505441222,0.665229321,0.83261466,0.891527445,0.841967673,3.24992663,2.10084984,1.422081579,0.71104079,0.460783553,0.671309869,0.220622795,0.474643145,0.624694867,0.781880907,0.837203955,0.790664012,6.618775012,15.30911556,21.05820864,24.52568468,24.77790019,22.2515844,32.44785067,27.90620421,21.67273602,17.14653427,16.55585519,19.39534258,7.111111111,3.92,2.380165289,3,8,3,2.45,1.0961,0,2.085481947,0.333333333,0,9.563073858,4.445544946,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.155,0.148,0.653,0.8,4.358,10,11,12,12,6,4,2,0,0,75,2.63905733,2.995732274,3.433987204,3.80666249,4.17438727,3.713572067,3.713572067,3.218875825,0,0,5.648974238,3.773333333,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,2,0.222222222,0,3,6,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.04,0,0,0,0,0.111111111,0.044444444,0.0234375,0.030222222,0.030092593,0.04,0,0,0,0,0.27930787,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,0,130.4180268,4.169925001,3.663561646,4.394449155,5.153291594,5.905361848,6.673297968,7.430707083,8.200562797,8.959440144,9.729669736,78.11034197,2.944438979,0,4.077537444,0,5.433722004,0,6.886531643,0,8.379997952,8.639410824,118.0782503,6.214644754,17.70058553,1.966731726,0,0,0,94,8,3.461,38,1.240744976,2.212079357,3.078832142,3.999723395,4.996007734,5.87137918,7.135712427,8.143504137,0,0,103.2922557,132.8279657,130.894965,137.8007448,146.9144287,88.96764557,36.43982885,8.274321388,0,0,348.5996928,491.3225574,537.301269,604.4879457,707.4846881,580.4077124,441.9632806,253.1306014,0,0,9.113619219,16.01949427,21.99505205,28.35615898,35.41004026,40.99699323,48.99156212,54.71183938,0,0,2.500629623,3.713741124,4.297788747,5.008128452,6.039670943,5.529115014,4.933131426,3.62070703,0,0,172.4008819,322.8485249,470.5639297,627.0518918,782.4600769,964.6705792,1235.840455,1505.877664,0,0,3.667184027,5.644891484,6.855567918,8.251315993,10.3246145,10.06720054,9.767524272,8.143504137,0,0,0.513183291,0.770045296,0.900963637,1.056950364,1.280393113,1.194258191,1.092834262,0.833894824,0,0,254.7796299,130.0664923,12.25887764,143.1542614,-73.08108834,-8.275749913,111.6253685,203.1475806,20.53462756,0.640256172,0.326854523,0.030806317,0.359743828,-0.18365133,-0.020796796,101.3854496,51.75786541,4.878222884,56.96593232,-29.08144187,-3.293201367,0.122121285,0.169540335,2.247708696,3.609638693,397.9338914,0,1,0,653.4594853,25.56285362,8.677731774,754.7687479,27.47305494,9.104818717,1055.514835,32.4886878,10.18172698,1.72933966,1.72933966,675.1181501,577.5394221,101.7136239,1.168955961,6.637440731,5.678093062,4.260151412,4.61174436,8.273275657,0.793957993,4.584446986,4.092858712,2.915095108,11.23181249,2.640668464,4.693406213,3.994078347,3.004296506,8.112093026,0.840346624,2.377663436,3.033550485,4.074828455,0.262231204,2.092880717,0.005856668,1.16E-23,4.42E-66,3.25E-130,4.61E-216,1.5E-323,0,0,0,0,0,0,0,0,0,0.384746842,4.091192578,0.190848378,7.066673875,1.055057194,0.396827858,0.587716695,1.186103973,2.037345528,0.020111173,0.163205285,0.421247684,0.230484465,0.00324439,0.01475056,4.12E-05,8.16E-26,3.11E-68,2.29E-132,3.25E-218,0,0,0,0,0,0,0,0,0,0,1.241995176,4.09130397,0.651528722,7.358992253,1.19362367,1.273764719,1.269730431,1.4000468,3.055596667,0.098088788,0.348133898,0.954319368,0.817492253,0.022836668,0.153631887,4.30E-04,8.50E-25,3.24E-67,2.38E-131,3.38E-217,0,0,0,0,0,0,0,0,0,0,4.327344353,4.092675806,2.714570556,10.77946792,2.47811956,4.430342206,3.780839184,2.83737979,7.661759074,0.758487976,2.147608475,2.873572342,3.769539069,0.234605525,1.864726084,0.005218186,1.03E-23,3.94E-66,2.89E-130,4.11E-216,1.5E-323,0,0,0,0,0,0,0,0,0,1.830469283,4.091448344,0.99609653,7.725304353,1.343702438,1.875780031,1.741859722,1.593584522,3.820431665,0.178177511,0.554385996,1.320302394,1.279157338,0.046165433,0.333683813,9.34E-04,1.85E-24,7.04E-67,5.18E-131,7.35E-217,0,0,0,0,0,0,0,0,0,0,5.536382315,4.093627796,3.69586572,13.13072575,3.31686029,5.66744852,4.788948191,3.685452993,9.868542249,1.179362215,3.336736777,3.625939805,5.284590848,0.377881393,3.052236466,0.0085414,1.69E-23,6.44E-66,4.74E-130,6.72E-216,2.0E-323,0,0,0,0,0,0,0,0,0,2.379541874,3.951829913,1.320074857,8.015072568,1.543743815,2.354145384,2.117708457,1.814317575,4.627919831,0.265917618,0.790434689,1.66873702,1.738672115,0.072772458,0.543185136,0.00151994,3.01E-24,1.15E-66,8.43E-131,1.20E-216,4.9E-324,0,0,0,0,0,0,0,0,0,6.778064569,1.615727182,0.091875886,0.798766209,0.190406607,0.571200039,0.466026028,0.1161668,8.485667636,11.72269021,21.2145369,0.698149314,1.153392867,4.993440032,0.844100138,0.017692303,0.852816699,0.144161678,0.310033418,0.127196755,0.00430068,5.855232473,4.318242952,10.24804784,0.779225049,0.441530852,5.584536478,1.099673154,0.042276484,0.830230879,0.163484044,0.387766071,0.215876202,0.024579703,6.726486115,6.423749721,13.40986269,0.745346318,0.628221976,6.719765514,1.59052015,0.089453857,0.799996892,0.189353509,0.561417299,0.451598651,0.110121031,8.399739522,11.43130956,20.78712497,0.699995339,1.123136981,5.891822619,1.232536736,0.055050022,0.820655615,0.17167662,0.431607687,0.27119139,0.041688362,7.179409377,7.654083962,15.23326043,0.730983423,0.74448744,6.966910439,1.697379173,0.099721138,0.794945447,0.193676072,0.603469086,0.514317383,0.13685866,8.76401075,12.6895015,22.63276343,0.69241817,1.254645129,6.719363371,1.58880459,0.089217329,0.800173285,0.189202297,0.561350491,0.450625464,0.109537574,8.39738529,11.41698792,20.76683559,0.700259927,1.121513529 +UMLYSI0077,L,cyclopropylbenzene,C1CC1C2=CC=CC=C2,aromatic,C9H10,873-49-4,70112,PubChem,,343.9,0,1.4129,1.99628641,41.4421,22.50793,6,6,19,9,10,0,9,0,0,0,0,0,0,0,0,0,1308.537729,1563.71209,1698.922186,1528.497441,981.665837,470.220242,81.787104,4.064256,0,4122.48956,5382.535181,6706.80545,6249.916144,4713.555919,2826.351366,968.1733981,124.3349777,0,135.049284,146.58148,238.31236,276.603588,227.483636,195.349448,103.171968,26.873856,0,29.54622905,39.0244431,52.16265632,50.47925244,39.99660794,26.5027752,10.682782,1.778451619,0,2990.325725,2799.169038,4853.352367,6116.366888,4959.051195,4616.316204,2582.994154,739.6706081,0,39.05555556,48.47222222,70.33333333,73.33333333,59,43.33333333,20,4,0,68.87040679,78.1856045,51.48249048,39.19224208,30.67705741,16.79358007,5.4524736,1.016064,0,216.9731347,269.1267591,203.2365288,160.2542601,147.2986225,100.9411202,64.54489321,31.08374443,0,7.107857053,7.329074,7.221586667,7.092399692,7.108863625,6.976766,6.8781312,6.718464,0,1.555064687,1.951222155,1.580686555,1.294339806,1.249893998,0.946527686,0.712185467,0.444612905,0,157.3855645,139.9584519,147.0712838,156.8299202,154.9703498,164.8684359,172.1996103,184.917652,0,2.055555556,2.423611111,2.131313131,1.88034188,1.84375,1.547619048,1.333333333,1,0,0.047854926,6.31E-06,-0.019763029,-0.001476607,-0.015931298,0.003317811,0.003218638,0.006700711,0,573.4705689,33.53629058,-244.1441954,84.51145227,-303.1680669,-29.51193571,63.3835892,108.6575815,0,1066.393011,62.36216439,-453.9965567,157.1526543,-563.7539661,-54.87870466,117.8644907,202.0534126,0,0.112338947,0.006569529,-0.047826172,0.016555213,-0.059388543,-0.005781186,0.01241641,0.021285274,0,4.767272928,0.278787891,-2.029575843,0.702545484,-2.52024253,-0.245333344,0.526909113,0.903272765,0,25.89590221,1.514380246,-11.02468819,3.81623822,-13.68999742,-1.332654617,2.862178665,4.906591997,0,3.476608187,0.625500154,-0.152354571,-0.057248384,-2.41089566,-0.480147738,0.193905817,0.542936288,0,0.00251868,3.16E-07,-5.99E-04,-3.79E-05,-4.98E-04,1.18E-04,2.15E-04,0.001675178,0,30.18266152,1.676814529,-7.398308953,2.166960315,-9.474002089,-1.053997704,4.225572613,27.16439537,0,56.12594795,3.118108219,-13.75747142,4.029555237,-17.61731144,-1.959953738,7.857632713,50.51335315,0,0.005912576,3.28E-04,-0.001449278,4.24E-04,-0.001855892,-2.06E-04,8.28E-04,0.005321319,0,0.250909101,0.013939395,-0.061502298,0.018013987,-0.078757579,-0.008761905,0.035127274,0.225818191,0,1.362942221,0.075719012,-0.33408146,0.097852262,-0.42781242,-0.047594808,0.190811911,1.226647999,0,0.182979378,0.031275008,-0.004616805,-0.001467907,-0.075340489,-0.017148133,0.012927054,0.135734072,0,1.25E-04,-0.237775182,-0.015032363,-0.19766425,0.047045766,0.085193763,0.665101387,0,0.055555556,-0.245117845,0.071794872,-0.313888889,-0.034920635,0.14,0.9,0,0.055555556,-0.245117845,0.071794872,-0.313888889,-0.034920635,0.14,0.9,0,0.055555556,-0.245117845,0.071794872,-0.313888889,-0.034920635,0.14,0.9,0,0.055555556,-0.245117845,0.071794872,-0.313888889,-0.034920635,0.14,0.9,0,0.055555556,-0.245117845,0.071794872,-0.313888889,-0.034920635,0.14,0.9,0,0.170920942,-0.025231287,-0.008022255,-0.411743061,-0.093716208,0.070647603,0.741799832,0,0.953219793,1.110645961,0.947916065,1.237608165,0.91383406,0.814826787,0.225586025,0,0.95,1.209090909,0.876923077,1.246875,0.95,0.76,0,0,0.95,1.209090909,0.876923077,1.246875,0.95,0.76,0,0,0.95,1.209090909,0.876923077,1.246875,0.95,0.76,0,0,0.95,1.209090909,0.876923077,1.246875,0.95,0.76,0,0,0.95,1.209090909,0.876923077,1.246875,0.95,0.76,0,0,0.841337258,0.976221424,0.988290095,1.384251472,0.981046498,0.776619008,0,0,31.58773981,15.79386991,24.2480829,31.58773981,3.509748868,15.79387054,-8.88E-15,0.186817445,0.020757494,-1.50986103,61.35923196,6.81769244,3.705071076,31.58773981,15.79386991,24.2480829,31.58773981,3.509748868,15.79387054,-8.88E-15,0.186817445,0.020757494,-1.50986103,61.35923196,6.81769244,3.705071076,31.58773981,15.79386991,24.2480829,31.58773981,3.509748868,15.79387054,-8.88E-15,0.186817445,0.020757494,-1.50986103,61.35923196,6.81769244,3.705071076,31.58773981,15.79386991,24.2480829,31.58773981,3.509748868,15.79387054,-8.88E-15,0.186817445,0.020757494,-1.50986103,61.35923196,6.81769244,3.705071076,31.58773981,15.79386991,24.2480829,31.58773981,3.509748868,15.79387054,-8.88E-15,0.186817445,0.020757494,-1.50986103,61.35923196,6.81769244,3.705071076,31.58773981,15.79386991,24.2480829,31.58773981,3.509748868,15.79387054,-8.88E-15,0.186817445,0.020757494,-1.50986103,61.35923196,6.81769244,3.705071076,38.16755177,18.65203785,29.76018256,38.09594683,4.232882981,18.65203788,-0.214814815,0.392063537,0.043562615,-0.842698231,37.89154412,4.210171569,3.271255179,0,11.85,12.15009716,-0.209908167,0.090216472,6.31709375,8.564880944,10,20,17,14,4,3,0,0,0,6,10.93207,3.857862232,3.466331034,2.619181914,2.537990943,1.456797487,1.276234598,0.941428501,0.728127792,1.952286053,1.372874417,1.312467168,1.082250302,0.852179711,0.380455786,0.310513972,0.229820252,3.870645513,3.487750305,2.645815032,2.561790728,1.556142907,1.363596446,1.053336623,0.859045883,1.922545019,1.285229005,1.248743116,1.007167592,0.756727631,0.222292503,0.150156259,0.061273833,3.929066943,3.582623413,2.771820215,2.676059627,1.9628467,1.743687118,1.517793787,1.382675144,1.84149777,1.07669357,1.018928274,0.798620231,0.476973144,0.320267451,0.396843083,0.525239217,3.880171361,3.503568084,2.665925019,2.579835689,1.62787375,1.428216502,1.134811365,0.953072436,1.904223548,1.228596505,1.20945162,0.960278991,0.695756386,0.115365956,0.041902902,0.053221667,3.959061961,3.629201158,2.838078588,2.737401783,2.141548494,1.918782194,1.721464227,1.604586507,1.817893835,1.028249129,0.933903671,0.738564276,0.392444951,0.518307599,0.594311107,0.743505145,3.906505917,3.457584838,2.797226853,2.641263352,1.662285852,1.456493638,1.284773059,1.096696191,1.833136418,1.256035852,1.231238889,0.82201793,0.612550468,0.011184348,0.115018019,0.209501208,0,0,0,5,1,0,2,1,0,0.288675135,0.166666667,0,0.268728739,0.294627825,0.288675135,0.144337567,0,0.12830006,0.12962963,0.333333333,0,0.083333333,0,0.240562612,0,0.048112522,0,0.707106781,0.916666667,0.942809042,0.413860541,0.445809975,0.387018139,6.104448007,4.466326495,3.735520021,2.649829914,2.076975834,1.445705769,0.589255651,0.333333333,0.678272001,0.44663265,0.287347694,0.189273565,0.12981099,0.090356611,0.058925565,0.041666667,5.378315178,3.515855318,2.684957297,1.559652147,1.058537779,0.60618505,0.23886999,0.11652831,0.597590575,0.351585532,0.206535177,0.111403725,0.066158611,0.037886566,0.023886999,0.014566039,11.70913902,18.43918427,17.62745098,17.8,12.99277246,142.1120539,0.616270475,0.970483383,0.927760578,0.936842105,0.683830129,7.479581784,2.564,38.417,39.32289261,56.41072351,78.64578523,8.738420581,39.32289261,0.069274938,0.007697215,-2.402704872,37.69437265,4.188263628,3.266559735,79,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,3,0,0,5,0,0,0,0,0,0,0,0,0,0,2,0,0,5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.27796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.036805556,0,0.93125,0,0,2.036805556,0,0,0,0,0,0,0,0,0,0,2.813518519,0,0,10.7525,0.908518519,0,0,0,1.525462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.525462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.390972222,0,0.285972222,0,0,0.390972222,0,0,0,0,0,0,0,0,0,0,1.406759259,0,0,2.075277778,0.908518519,0,0,0,1.525462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.219907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.426111111,0,0.359305556,0,0,0.426111111,0,0,0,0,0,0,0,0,0,0,1.406759259,0,0,2.219907407,0.908518519,0,0,0,1.525462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,1.777777778,0.426111111,2.219907407,0.131944444,0.908518519,5.262326389,0.424814815,0.219907407,1.505,0.424814815,0.219907407,1.505,4.5,0.5,0,0,0.48947,0.7,0.444,0.444,0.7,0.04547,0.04547,0,0,0.71429,0,0,0,0.22222,0,11,1.22222,5,0.55556,6,0.66667,1,0.11111,0,0,4.66828,0.5187,8.90136,4.23308,0.47034,2.51,0.27889,4.46631,1.95631,0.21737,-0.05231,-0.00581,0.11969,0.0133,0.473684211,28,0,0,0,0,0,0,0.333333333,0.998000884,2.309563228,2.75505762,3.260828171,3.511085408,3.511085408,18.96201679,43.88170133,52.34609478,61.95573525,66.71062276,66.71062276,0.234938304,0.54369177,0.648565121,0.767628016,0.826540801,0.826540801,3.24992663,1.938364285,1.492869894,0.987099342,0.736842105,0.736842105,0.220622795,0.51056297,0.609046067,0.720854097,0.776177146,0.776177146,6.618775012,16.5721679,19.82979535,23.09039491,23.34261042,23.34261042,32.44785067,27.05922496,23.10739551,18.97428994,18.38361086,18.38361086,5.76,2.319526627,1.28,0,6,0,2.45,1.0305,0,0,0,0,8.857542076,7.44510156,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.137,0.144,0.664,0.857,4.546,13,14,16,16,10,8,4,0,0,100,2.63905733,3.113515309,3.518980417,3.972647627,4.371818458,3.910772224,3.944006051,3.446011397,0,0,5.82156551,3.365,0.4,2,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,1,0.1,0,3,5,0.666666667,1,0.5,0.381944444,0.121111111,0.045,0,0,0,0,0,0.1,0.05,0.042438272,0.024222222,0.0225,0,0,0,0,0,0.239160494,19.76693487,29.99446426,39.53386974,4.392652194,19.76693488,0.013580412,0.001508935,-3.869214146,52.63913003,5.848792226,3.567113784,0,120.6980268,4.169925001,3.850147602,4.672828834,5.509388337,6.350885717,7.196686571,8.043984431,8.893298144,9.743142729,10.59420679,83.85456915,3.044522438,1.945910149,4.290459441,3.713572067,5.771441123,5.476463552,7.342779189,7.239214974,8.954286157,9.339788439,118.0782503,6.214644754,17.992276,1.999141777,0,0,0,87,9,3.102,46,1.241142903,2.186806608,3.014879262,4.00531587,4.828259464,5.951418799,6.821330869,0,0,0,106.7955322,122.7738003,128.0904622,136.9227639,88.60313318,32.56060505,6.930908728,0,0,0,356.819376,469.6977267,514.4644717,625.1211679,519.9019744,384.9682655,212.0325054,0,0,0,9.127646093,15.83393624,21.46561729,28.53277524,33.80394604,40.93862168,45.82886588,0,0,0,2.545422719,3.599090469,4.102420918,5.205514603,4.802323261,4.245187665,3.032851733,0,0,0,171.764854,318.8448951,466.6869005,616.7207441,786.8623711,1024.51479,1261.384488,0,0,0,3.090193441,4.775350245,5.840108504,7.53751828,7.701274122,7.91470322,6.821330869,0,0,0,0.521816008,0.747947052,0.860070436,1.098486315,1.032270206,0.938364162,0.698504281,0,0,0,242.1036963,109.611174,10.72698936,92.20744608,-41.74643581,-4.988249987,149.8962502,151.3576098,15.71523935,0.72418674,0.327871734,0.032086844,0.27581326,-0.124873002,-0.01492098,80.93796326,36.64423679,3.586152067,30.82597663,-13.95629865,-1.667627552,0.137025602,0.136371514,1.870304074,1.844141087,334.3111423,0,1,0,750.4940025,27.3951456,9.087597331,850.8642423,29.16957734,9.475891752,1169.5107,34.19810959,10.53581331,1.86043457,1.86043457,549.5270766,450.7254663,107.5438281,1.219205742,5.1097965,4.191086315,3.986722965,3.785524729,7.34246399,0.93961591,4.189438074,3.944648304,4.617623105,10.72539758,5.833741318,1.936306808,2.411137989,5.963454259,3.557625376,1.342060576,0.970941149,1.043396837,4.05E-04,0.115158775,1.71E-19,6.46E-59,4.80E-120,6.88E-203,1.90E-307,0,0,0,0,0,0,0,0,0,0,0,0.351700129,3.943447109,0.259226093,3.089642393,1.265762793,0.376812493,0.27765678,0.321712758,2.217377725,0.331402958,0.080668959,0.008226093,2.94E-05,8.11E-04,1.20E-21,4.55E-61,3.38E-122,4.85E-205,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,1.135064261,3.943537895,0.920711943,3.785746364,1.907717195,0.695138527,0.577480882,1.155487772,2.328299076,0.509456369,0.260945851,0.078833542,9.78E-05,0.008452003,1.25E-20,4.74E-60,3.52E-121,5.05E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,3.954494507,3.944520145,4.270091164,9.952812371,5.451335202,1.840835682,2.232534052,5.505635035,3.418035568,1.270197278,0.91592755,0.930251914,3.79E-04,0.102604395,1.52E-19,5.75E-59,4.27E-120,6.13E-203,1.70E-307,0,0,0,0,0,0,0,0,0,0,0,1.67281918,3.943646062,1.442545451,4.519698906,2.43464455,0.91365937,0.823582445,1.822216915,2.452737782,0.64007049,0.385129823,0.169077997,1.47E-04,0.018358879,2.72E-20,1.03E-59,7.65E-121,1.10E-203,3.04E-308,0,0,0,0,0,0,0,0,0,0,0,5.059328353,3.94518484,5.996022138,13.93238479,7.366292747,2.289793415,3.126921273,7.786215244,4.139796873,1.619482696,1.175212828,1.518834509,5.04E-04,0.167948251,2.49E-19,9.41E-59,6.99E-120,1.00E-202,2.78E-307,0,0,0,0,0,0,0,0,0,0,0,2.248470097,3.088472979,2.285844687,5.352598219,3.034738998,1.18337045,1.104270276,2.722837558,2.543661832,0.864273513,0.462699853,0.332361121,1.83E-04,0.036436956,5.41E-20,2.04E-59,1.52E-120,2.18E-203,6.02E-308,0,0,0,0,0,0,0,0,0,0,0,5.03417786,1.59954651,0.224079429,0.734080182,0.233244717,0.592835932,0.486702941,0.253824171,6.857803798,9.538882791,18.20106414,0.601120273,1.333363043,3.837977878,0.876118801,0.039079787,0.807455373,0.184322801,0.344315388,0.145782946,0.0077701,4.753176466,3.54675047,8.43133368,0.71118306,0.497868434,4.234104443,1.115675607,0.100491807,0.776861146,0.20470091,0.419161949,0.236527115,0.051320689,5.450271857,5.26149611,11.18647991,0.66529172,0.707009753,4.995091933,1.575908377,0.218051876,0.735756892,0.232124947,0.583651924,0.472401052,0.240424128,6.789052186,9.304626166,17.81014068,0.603635337,1.296477104,4.440066312,1.240237806,0.132354423,0.763861541,0.213368426,0.460993091,0.292373987,0.088923927,5.812658541,6.258551476,12.80005116,0.645792312,0.842291005,5.160790694,1.676118022,0.243599118,0.728872959,0.236722854,0.623079585,0.534499272,0.299679049,7.080507833,10.31555922,19.50322239,0.593309438,1.457257905,4.995600161,1.580010845,0.218179961,0.735318497,0.232566891,0.583805609,0.474930108,0.240638444,6.793790967,9.327768986,17.84367673,0.602977745,1.299374161 +UMLYSI0078,L,tetralin,C1CCC2=CC=CC=C2C1,aromatic,C10H12,119-64-2,8404,PubChem,,336,0,0.561,0.314721,44.0696,25.601516,6,6,22,10,12,0,10,0,0,0,0,0,0,0,0,0,1454.833978,1732.190387,2314.332062,2109.623052,1243.022262,523.728914,84.835296,4.064256,0,4608.173951,6035.525316,8807.250395,8990.557479,6418.372324,3440.716553,1061.424631,124.3349777,0,156.026728,168.35726,303.264248,404.792112,352.830552,257.412296,123.32736,26.873856,0,33.22435486,44.04043172,67.54811506,73.54232287,56.36430997,33.18001696,12.01662072,1.778451619,0,3486.955385,3232.20849,6189.732738,8888.973485,7943.289696,6153.394655,3137.747111,739.6706081,0,42.55555556,53.19444444,85.83333333,101.9166667,85,56,23,4,0,66.12881718,75.31262552,55.10314433,37.01093074,24.86044524,14.15483551,4.713072,1.016064,0,209.4624523,262.4141442,209.696438,157.7290786,128.3674465,92.99233928,58.96803508,31.08374443,0,7.092124,7.31988087,7.220577333,7.101616,7.05661104,6.957089081,6.85152,6.718464,0,1.510197948,1.914801379,1.608288454,1.290216191,1.127286199,0.896757215,0.66759004,0.444612905,0,158.4979721,140.5308039,147.374589,155.9469032,158.8657939,166.3079637,174.3192839,184.917652,0,1.934343434,2.312801932,2.043650794,1.788011696,1.7,1.513513514,1.277777778,1,0,0.046659955,0.002027332,-0.013973144,-0.008576438,-0.017766071,-8.44E-05,0.008409237,0.006633513,0,660.3600491,36.01963904,-116.0632814,-93.05073419,-334.1822067,-43.02345774,120.0654635,100.0545529,0,1227.96771,66.98005689,-215.8246278,-173.0318136,-621.4260834,-80.00395684,223.2668563,186.0557136,0,0.12936,0.007056,-0.022736,-0.018228,-0.065464,-0.008428,0.02352,0.0196,0,5.489587008,0.299432019,-0.964836504,-0.773532715,-2.778063728,-0.357654911,0.998106729,0.831755607,0,29.81952376,1.626519478,-5.241007205,-4.201841984,-15.09048626,-1.942787154,5.421731592,4.51810966,0,3.444444444,0.75,0.055555556,-0.305555556,-2.111111111,-0.888888889,0.333333333,0.444444444,0,0.002120907,8.81E-05,-3.33E-04,-1.50E-04,-3.55E-04,-2.28E-06,4.67E-04,0.001658378,0,30.01636587,1.566071263,-2.763411461,-1.632469021,-6.683644133,-1.162796155,6.670303526,25.01363822,0,55.81671408,2.912176387,-5.138681613,-3.035645853,-12.42852167,-2.162269104,12.40371424,46.5139284,0,0.00588,3.07E-04,-5.41E-04,-3.20E-04,-0.00130928,-2.28E-04,0.001306667,0.0049,0,0.249526682,0.013018783,-0.022972298,-0.013570749,-0.055561275,-0.009666349,0.055450374,0.207938902,0,1.355432898,0.070718238,-0.124785886,-0.073716526,-0.301809725,-0.052507761,0.301207311,1.129527415,0,0.156565657,0.032608696,0.001322751,-0.005360624,-0.042222222,-0.024024024,0.018518519,0.111111111,0,0.04155999,-0.156863974,-0.070943151,-0.167532763,-0.001075612,0.220273614,0.781919372,0,0.052173913,-0.092063492,-0.054385965,-0.222666667,-0.038738739,0.222222222,0.833333333,0,0.052173913,-0.092063492,-0.054385965,-0.222666667,-0.038738739,0.222222222,0.833333333,0,0.052173913,-0.092063492,-0.054385965,-0.222666667,-0.038738739,0.222222222,0.833333333,0,0.052173913,-0.092063492,-0.054385965,-0.222666667,-0.038738739,0.222222222,0.833333333,0,0.052173913,-0.092063492,-0.054385965,-0.222666667,-0.038738739,0.222222222,0.833333333,0,0.208274895,0.008448541,-0.034238823,-0.269677419,-0.153443766,0.11827957,0.709677419,0,0.957956913,1.070764968,0.940200295,1.09920784,1.048056862,0.864859964,0.274367579,0,1.004347826,1.1,1.013157895,1.155,0.936486486,0.641666667,0,0,1.004347826,1.1,1.013157895,1.155,0.936486486,0.641666667,0,0,1.004347826,1.1,1.013157895,1.155,0.936486486,0.641666667,0,0,1.004347826,1.1,1.013157895,1.155,0.936486486,0.641666667,0,0,1.004347826,1.1,1.013157895,1.155,0.936486486,0.641666667,0,0,0.832047686,0.923387097,0.941850594,1.26,1.153443766,0.762096774,0,0,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,37.74068856,18.4237568,27.14525878,37.74068856,3.774068856,18.42375687,1.42E-14,0.219282516,0.021928252,-1.517394353,53.40082442,5.340082442,3.977826184,43.80845579,20.57579644,31.08689565,43.80409215,4.380409215,20.57579645,-0.168888889,0.396237976,0.039623798,-0.925740298,48.21065101,4.821065101,3.875579972,0,11.9,12.10017173,-0.136149425,0.064701075,6.9134375,8.936746114,11,23,20,17,5,3,0,0,0,6,13.118484,3.859257449,3.26603328,2.85748856,2.539816796,2.350475535,1.497315508,1.237267249,0.751328949,2.053489417,1.666412717,1.350290776,1.017671733,0.96709204,0.560658892,0.558549147,0.239945645,3.870555062,3.292828811,2.886123794,2.56564159,2.392125201,1.582151547,1.349619342,0.880447418,2.02070718,1.608211373,1.271973869,0.935409257,0.878464308,0.431838524,0.405755516,0.07238178,3.922762979,3.411592901,3.021737613,2.689753709,2.57664947,1.936158912,1.80215351,1.398225657,1.933750742,1.4354006,1.050516214,0.71673229,0.613469192,0.002051678,0.11598811,0.509133616,3.87900294,3.312633685,2.907765452,2.585208322,2.422938245,1.643877923,1.430332416,0.973259429,2.000738782,1.570956036,1.222656736,0.884900704,0.821618538,0.345688827,0.302643471,0.041356809,3.949942256,3.469681049,3.09278911,2.756903945,2.66634246,2.093887079,1.997147002,1.618269983,1.909106109,1.381402153,0.985972155,0.656595211,0.529849954,0.149920177,0.305761186,0.72446841,3.926253365,3.31720277,2.939257165,2.610550116,2.488349721,1.719552514,1.507173628,1.139579527,1.987536625,1.51610254,1.209776418,0.827598908,0.688123653,0.22732514,0.190703702,0.214836949,0,0,0,4,2,0,4,0,0,0,0,0,0.166666667,0.23570226,0,0,0,0.090277778,0.111452494,0.333333333,0,0.083333333,0,0.204124145,0,0.041666667,0,0.942809042,1.5,1.885618083,0.524377395,0.760310363,0.873962325,6.811554788,4.966326495,4.089073412,3.466326495,2.857589235,2.316496581,1.140119483,0.704124145,0.681155479,0.451484227,0.292076672,0.192573694,0.12989042,0.089096022,0.063339971,0.044007759,6.137828202,4.03445705,2.97581711,2.260616132,1.676176864,1.232084617,0.536873346,0.295028034,0.61378282,0.366768823,0.212558365,0.125589785,0.076189857,0.04738787,0.029826297,0.018439252,13.25096682,21.32702112,20.35294118,20.56,14.79132695,165.140309,0.602316674,0.969410051,0.92513369,0.934545455,0.672333043,7.506377681,2.5654,43.084,69.06175437,80.55467971,138.1235087,13.81235087,69.06175437,1.05E-15,1.05E-16,-34.48550877,35.25843786,3.525843786,3.562704872,90,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,4,0,0,4,0,0,0,0,0,0,0,0,0,0,4,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.95796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.576805556,0,1.290555556,0,0,1.576805556,0,0,0,0,0,0,0,0,0,0,5.37537037,0,0,8.80287037,0,0,0,0,3.155092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.577546296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.285972222,0,0,0.380972222,0,0,0,0,0,0,0,0,0,0,1.301759259,0,0,2.143009259,0,0,0,0,1.577546296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.258425926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.407430556,0,0.359305556,0,0,0.407430556,0,0,0,0,0,0,0,0,0,0,1.385925926,0,0,2.258425926,0,0,0,0,1.577546296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.33333333,1.733333333,0.407430556,2.258425926,0.116319444,1.301759259,5.854005278,0.198240741,0.258425926,1.605740741,0.198240741,0.258425926,1.605740741,5,0.5,0,0,0.48182,0.7,0.44286,0.44286,0.7,0.03896,0.03896,0,0,0.71429,0,0,0,0.2,0,11.5,1.15,5.5,0.55,6,0.6,0.5,0.05,0,0,6.41361,0.64136,10.92696,4.51335,0.45133,2.98601,0.2986,4.96631,1.9803,0.19803,-0.05231,-0.00523,0.11969,0.01197,0.454545455,31,0,0,0,0,0,0,0.4,0.994030211,2.368522528,2.913977073,3.095795255,3.095795255,3.095795255,21.86866465,52.10749561,64.10749561,68.10749561,68.10749561,68.10749561,0.222905136,0.531126549,0.653441363,0.694212967,0.694212967,0.694212967,3.465401407,2.090909091,1.545454545,1.363636364,1.363636364,1.363636364,0.211476005,0.503893821,0.619937122,0.658618223,0.658618223,0.658618223,6.685280239,17.6733325,20.22163251,20.40487343,20.40487343,20.40487343,36.74662124,28.08813825,24.23565963,23.70495723,23.70495723,23.70495723,6.694214876,2.93877551,1.382716049,0,6,0,2.56,1.1714,0,0,0,0,11.67863166,8.596559455,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.115,0.112,0.679,0.88,5.25,14,18,22,26,18,16,14,12,0,161,2.708050201,3.198673118,3.70745584,4.172462341,4.613262356,4.345427482,4.375363863,4.385925275,4.375363863,0,6.335608176,3.498835404,0.4,2,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,3,0,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,5,0.666666667,1,0.888888889,0.25,0.284444444,0,0,0,0,0,0,0.090909091,0.063492063,0.020833333,0.047407407,0,0,0,0,0,0,0.222641895,22.1589889,32.1589889,44.3179778,4.43179778,22.1589889,5.27E-16,5.27E-17,-35.17865595,5000017.121,500001.7121,15.42495189,0,137.9940115,4.321928095,3.931825633,4.744932128,5.572154032,6.401917197,7.23489842,8.068089626,8.902047346,9.735956081,10.57005972,86.16188019,3.135494216,0,4.369447852,0,5.84932478,0,7.43543802,0,9.066816362,9.288504393,132.0939004,6.004268199,20.65842448,2.065842448,0,0,0,109,12,3.454,50,1.26407814,2.2115582,2.997464741,3.875003081,4.888970194,5.725451817,6.536119692,0,0,0,105.8939133,131.4784064,119.0040356,105.8284698,70.42551243,26.77244013,6.641115919,0,0,0,356.6954994,488.3868363,497.1567436,527.8928496,461.2158995,336.0194561,203.1670741,0,0,0,9.287117082,16.01314024,21.34745465,27.42695893,34.04035647,39.22041676,43.91268485,0,0,0,2.556012155,3.698534641,4.020179734,4.56441283,4.43377781,3.809466681,2.906043163,0,0,0,175.5116945,322.901804,463.0072922,609.4683663,810.9240105,998.6644862,1208.643907,0,0,0,3.01512687,4.63160213,5.496206538,6.77952659,7.436249807,7.27995977,6.536119692,0,0,0,0.52444265,0.767144899,0.844623045,0.969697879,0.959600068,0.846263164,0.669298656,0,0,0,266.5928037,128.0462724,10.92006714,82.8671966,-39.8016581,-4.769739591,183.7256071,167.8479305,15.68980673,0.762870725,0.366411813,0.031248404,0.237129275,-0.113894746,-0.013648886,93.16352125,44.74705037,3.816126666,28.95877055,-13.90908745,-1.666833199,0.129161521,0.128011686,2.717308857,1.658627492,349.4600003,0,1,0,775.9487653,27.85585693,9.189199539,893.0424475,29.88381581,9.629950039,1352.238598,36.77279698,11.05820006,1.347212784,1.347212784,573.6590913,419.2773241,179.9054061,1.368209198,3.188670667,2.330543218,4.086753357,3.868376546,7.157029755,0.850137821,3.673442926,5.408424979,3.684304781,21.51468933,5.022378492,8.070012956,7.41531405,7.199506241,5.616695033,1.183624192,4.37596869,0.616000474,0.897873633,7.79E-06,1.38E-31,4.70E-79,3.09E-148,3.92E-239,0,0,0,0,0,0,0,0,0,0,0,0,0.308289329,5.40825611,0.298079602,7.584607809,1.098408806,1.153643338,1.267345778,0.387983358,1.611143039,0.037260529,0.258545722,0.004338547,0.006323797,5.49E-08,9.70E-34,3.31E-81,2.18E-150,2.76E-241,0,0,0,0,0,0,0,0,0,0,0,0,0.995188921,5.408267771,0.969533762,8.99320581,1.633869952,2.437850811,2.421203171,1.354411912,2.042720224,0.161183098,0.906241981,0.045210962,0.065898845,5.72E-07,1.01E-32,3.45E-80,2.27E-149,2.88E-240,0,0,0,0,0,0,0,0,0,0,0,0,3.467430634,5.408406571,3.470016812,20.15430489,4.688229104,7.601467363,7.003183204,6.632530761,5.234909361,1.074503849,4.055711771,0.548845335,0.799989242,6.94E-06,1.23E-31,4.19E-79,2.75E-148,3.50E-239,0,0,0,0,0,0,0,0,0,0,0,0,1.466723957,5.408282548,1.436329164,10.3861945,2.08028109,3.357297457,3.243301062,2.143713898,2.453608106,0.278935512,1.408098864,0.098204239,0.143141097,1.24E-06,2.20E-32,7.49E-80,4.93E-149,6.25E-240,0,0,0,0,0,0,0,0,0,0,0,0,4.436213716,5.408502294,4.485648403,27.12791642,6.366230076,9.85606857,8.981848041,9.469051054,7.185338979,1.631862036,5.63916194,0.898378782,1.30946431,1.14E-05,2.01E-31,6.85E-79,4.51E-148,5.72E-239,0,0,0,0,0,0,0,0,0,0,0,0,2.074023417,4.82940734,2.021028669,12.3526983,2.566591022,4.481939368,4.610322257,3.518479827,3.288863166,0.471984862,2.195407342,0.205029758,0.298848472,2.59E-06,4.58E-32,1.56E-79,1.03E-148,1.31E-239,0,0,0,0,0,0,0,0,0,0,0,0,4.085920218,2.144047536,0.378660461,0.618270553,0.324431556,0.509523243,0.539911457,0.230409761,6.608628214,11.11944964,21.04529767,0.427405829,1.279844461,3.146742035,1.265242337,0.096581299,0.697947477,0.280630788,0.302224421,0.188031645,0.014950717,4.508565671,4.407506431,9.300600042,0.546921215,0.505206783,3.465015226,1.563059066,0.192189321,0.6637625,0.299421482,0.366443771,0.286957272,0.059269515,5.220263613,6.382365647,12.64353113,0.49564375,0.712670558,4.05624501,2.11628055,0.369749393,0.620005279,0.323477776,0.502149496,0.526017961,0.219681055,6.542274954,10.86644,20.5827001,0.430007919,1.247848512,3.62760563,1.71519862,0.241023704,0.649662859,0.307172541,0.401636351,0.34553369,0.093259046,5.583827953,7.509806639,14.59329955,0.474494288,0.840429087,4.181597149,2.233571713,0.407390385,0.612907415,0.327380332,0.533663274,0.585938983,0.266743705,6.822559246,11.95337522,22.58091874,0.419361122,1.386345961,4.06741877,2.117864382,0.369975604,0.620481803,0.323078686,0.504919986,0.526803608,0.219971792,6.555258756,10.90264521,20.64496311,0.430722704,1.251695385 +UMLYSI0079,L,1-isopropyl-4-methylbenzene,CC1=CC=C(C=C1)C(C)C,aromatic,C10H14,99-87-6,7463,PubChem,,330.3,0,2.2271,4.95997441,48.2855,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2126.719909,1982.460659,1272.316758,697.287531,421.79189,148.333248,18.289152,4670.34144,5841.481647,8080.20575,8578.927599,6803.264279,4249.12541,2367.4049,1470.09063,559.5073998,169.463656,175.052008,300.845524,364.457612,400.658136,312.780396,166.87892,105.566976,120.932352,34.11358067,43.47862034,62.52810234,69.86822116,60.81446311,40.41907011,22.04859796,14.69637043,8.003032287,3856.790689,3411.659229,6375.036452,7774.00066,9174.123052,7511.022367,4003.826014,2392.223529,3328.517736,49.33333333,59.55555556,87.66666667,107.4444444,103.2222222,70,36,27,18,60.70275442,67.17251842,50.63618831,38.87177763,22.32134663,15.49527847,17.57466208,9.8888832,1.016064,194.59756,243.3950686,192.3858512,168.2142666,119.3555137,94.42500911,98.64187085,98.00604198,31.08374443,7.060985667,7.293833667,7.162988667,7.146227686,7.029090105,6.950675467,6.953288333,7.0377984,6.718464,1.421399194,1.811609181,1.488764342,1.369965121,1.066920405,0.898201558,0.918691582,0.979758029,0.444612905,160.6996121,142.1524679,151.7865822,152.4313855,160.9495272,166.9116082,166.8260839,159.4815686,184.917652,2.055555556,2.481481481,2.087301587,2.106753813,1.810916179,1.555555556,1.5,1.8,1,0.049285068,-0.003402752,2.96E-04,-0.019867303,-0.022847155,0.010028907,0.011904254,-0.012516513,0.011762161,706.2183858,-1.07E-13,136.1992601,-320.3204821,-295.0983969,-2.522208521,40.35533633,-290.0539799,378.3312781,1313.243245,1.85E-13,253.2683401,-595.6496147,-548.7480703,-4.690154447,75.04247115,-539.3677614,703.523167,0.138343333,2.23E-15,0.0266805,-0.062748583,-0.05780775,-4.94E-04,0.007905333,-0.056819583,0.0741125,5.870808328,1.37E-14,1.13222732,-2.66283092,-2.453159194,-0.020967173,0.335474762,-2.411224849,3.14507589,31.89032402,-1.08E-13,6.150276775,-14.46453982,-13.32559968,-0.113894014,1.822304229,-13.09781165,17.08410215,4.87037037,-1.240740741,2.143518519,-1.331018519,-2.604166667,-0.891203704,1.518518519,-2.377314815,2.347222222,0.002053545,-1.42E-04,7.04E-06,-3.90E-04,-4.01E-04,2.23E-04,4.96E-04,-8.34E-04,6.53E-04,29.42576608,-4.44E-15,3.242839527,-6.280793768,-5.177164859,-0.056049078,1.681472347,-19.33693199,21.01840434,54.71846854,7.70E-15,6.030198574,-11.67940421,-9.627159127,-0.104225654,3.126769631,-35.95785076,39.08462039,0.005764306,9.28E-17,6.35E-04,-0.001230364,-0.001014171,-1.10E-05,3.29E-04,-0.003787972,0.004117361,0.244617014,5.71E-16,0.026957793,-0.052212371,-0.043037881,-4.66E-04,0.013978115,-0.160748323,0.174726438,1.328763501,-4.51E-15,0.146435161,-0.283618428,-0.23378245,-0.002530978,0.075929343,-0.873187443,0.949116786,0.202932099,-0.051697531,0.051036155,-0.026098402,-0.045687135,-0.019804527,0.063271605,-0.158487654,0.130401235,-0.069042259,0.00343039,-0.189698818,-0.195188014,0.108526793,0.241538759,-0.406338507,0.318207557,-1.51E-16,0.110204082,-0.213445378,-0.17593985,-0.001904762,0.057142857,-0.657142857,0.714285714,1.41E-16,0.110204082,-0.213445378,-0.17593985,-0.001904762,0.057142857,-0.657142857,0.714285714,1.61E-14,0.110204082,-0.213445378,-0.17593985,-0.001904762,0.057142857,-0.657142857,0.714285714,2.34E-15,0.110204082,-0.213445378,-0.17593985,-0.001904762,0.057142857,-0.657142857,0.714285714,-3.40E-15,0.110204082,-0.213445378,-0.17593985,-0.001904762,0.057142857,-0.657142857,0.714285714,-0.254752852,0.251493753,-0.128606576,-0.225135081,-0.097591888,0.311787072,-0.780988593,0.642585551,1.158498124,0.913373931,1.259193342,1.235210956,0.979917383,0.623083053,1.072253381,0.004132155,1.15,0.93877551,1.23697479,1.106766917,0.876190476,0.821428571,1.577142857,0,1.15,0.93877551,1.23697479,1.106766917,0.876190476,0.821428571,1.577142857,0,1.15,0.93877551,1.23697479,1.106766917,0.876190476,0.821428571,1.577142857,0,1.15,0.93877551,1.23697479,1.106766917,0.876190476,0.821428571,1.577142857,0,1.15,0.93877551,1.23697479,1.106766917,0.876190476,0.821428571,1.577142857,0,1.442965779,0.662140141,1.183180497,1.261156694,0.967807351,0.393536122,1.888973384,0,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,40.25751709,20.12875855,30.00350533,40.25751709,4.025751709,20.12875855,3.55E-15,0.148734863,0.014873486,-1.905590003,63.53412928,6.353412928,4.151577231,48.20642229,23.94987781,36.25686402,48.10242229,4.810242229,23.94987781,-0.173333333,0.327350035,0.032735004,-1.116725237,62.94720677,6.294720677,4.142296387,0,11.89,12.11015511,-0.1516392,0.071609308,5.925361354,8.915569697,10,24,21,18,4,3,0,0,0,6,15.304898,3.823473119,3.269532186,2.72417595,2.619181914,2.333552793,2.03423475,1.208656838,0.941428501,2.010155309,1.706442598,1.344886195,1.249629723,1.082250302,0.75545327,0.431896806,0.310513972,3.834368761,3.296501826,2.763929326,2.645815032,2.405454588,2.09041174,1.307107336,1.053336623,1.978530921,1.639567799,1.254436901,1.134540686,1.007167592,0.659785591,0.284416005,0.150156259,3.884550649,3.420774242,2.945651656,2.771820215,2.704236987,2.321654126,1.715238132,1.517793787,1.895088756,1.446511978,0.982853538,0.798620231,0.76031856,0.364891188,0.209063308,0.396843083,3.842505949,3.316703901,2.793650836,2.665925019,2.457539916,2.130959572,1.3785471,1.134811365,1.959333563,1.597168741,1.196073579,1.058262671,0.960278991,0.598058675,0.185560998,0.041902902,3.91061153,3.483988683,3.036663921,2.838982085,2.838078588,2.425693774,1.896403367,1.721464227,1.871444508,1.388505361,0.898762531,0.738564276,0.631337262,0.265461596,0.383723076,0.594311107,3.846903513,3.293825076,2.846399753,2.748161606,2.556211565,2.181511415,1.39678778,1.248880791,1.958493972,1.587802241,1.116493412,0.949068708,0.866482806,0.545489769,0.122074907,0.083726123,0,0,0,4,2,3,0,1,0,0,0,0,0.083333333,0.131445856,0,0,0,0.027777778,0.043815285,0.788675135,0,0.166666667,0,0.551566846,0,0.096225045,0,1.448688405,1.404193779,1.498266827,0.829344624,0.654083483,0.604819519,7.560477932,4.698377303,4.263968845,3.003322558,1.952529745,1.449135293,0.919957418,0.19245009,0.756047793,0.46983773,0.327997603,0.21452304,0.13946641,0.090570956,0.076663118,0.048112522,6.886751346,3.764742878,3.065384141,1.744016936,0.951353092,0.607122402,0.391191771,0.06415003,0.688675135,0.376474288,0.23579878,0.124572638,0.067953792,0.03794515,0.032599314,0.016037507,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.83802,44.171,41.38554761,57.2454538,82.77109522,8.277109522,41.38554761,0.164516426,0.016451643,-1.804744859,43.26675075,4.326675075,3.767384459,88,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,4,0,0,0,0,0,0,0,0,3,0,0,0,0,4,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.47222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.523888889,0,0.93125,0,0,1.523888889,0,0,0,0,0,0,0,0,6.541111111,0,0,0,0,8.712962963,0.653333333,0,0,0,2.759259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.337407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375347222,0,0.285972222,0,0,0.375347222,0,0,0,0,0,0,0,0,2.115185185,0,0,0,0,2.162037037,0.653333333,0,0,0,1.337407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.194444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.386597222,0,0.359305556,0,0,0.386597222,0,0,0,0,0,0,0,0,2.212962963,0,0,0,0,2.194444444,0.653333333,0,0,0,1.421851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.66666667,1.866666667,0.386597222,2.212962963,0.121944444,0.653333333,6.260454444,0.68,0.212962963,2.508148148,0.68,0.212962963,2.508148148,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.3,0.3,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.98832,0.69883,11.95289,4.96457,0.49646,2.70145,0.27014,4.69836,1.99691,0.19969,0.21564,0.02156,0.30164,0.03016,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.367492461,2.990601563,3.240601563,3.272055209,3.188721876,23.51685016,56.81981907,71.77443751,77.77443751,78.52932501,76.52932501,0.213713581,0.516360267,0.652263036,0.706789109,0.713649285,0.695473927,3.605093744,2.21747004,1.594360938,1.344360938,1.312907292,1.396240625,0.206076118,0.497907145,0.628953169,0.681530649,0.688145662,0.670619836,6.772325919,17.88939319,19.43339272,22.43339272,20.63306334,20.54907792,37.92632204,26.78820795,24.54912344,20.08671719,22.1198,22.33521355,8.1,3.408284024,2.285714286,2,6,0,2.56,1.28,0.721124785,3.888322594,3.867776753,0,3.301927249,7.065551058,0,1.310370697,0,0,0,0,0,0,0,0,0,0,0,0.003,0.147,0.132,0.49,0.657,4.666,13,14,14,16,12,4,0,0,0,93,2.63905733,3.157000421,3.590439381,3.986666548,4.466626252,4.1763085,3.446011397,0,0,0,5.7531677,3.378360215,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,6,1,2.5,1.333333333,0.5,0.382222222,0.236111111,0,0,0,0,0,0.25,0.102564103,0.045454545,0.063703704,0.078703704,0,0,0,0,0,0.540426055,24.79457074,37.39674508,49.58914148,4.958914148,24.79457074,0.015455772,0.001545577,-4.169772747,91.09660652,9.109660652,4.511920553,0,150.3504702,4.321928095,3.850147602,4.615120517,5.424950017,6.216606101,7.027314514,7.824445931,8.635331719,9.43356392,10.24448525,83.27196557,3.044522438,0,4.290459441,0,5.733341277,0,7.25629724,0,8.815963561,9.055672892,134.1095504,5.587897935,19.38570823,1.938570823,0,0,0,120,11,3.834,46,1.235929323,2.155114745,3.005584582,3.7271005,4.548111905,5.595663245,6.669378682,7.027030183,0,0,92.76161773,120.3296862,124.7880974,93.20469372,77.66654732,107.350237,66.21312854,7.139912396,0,0,323.5789178,444.8255627,527.7268846,476.0769814,455.3360163,576.0966087,655.6036105,218.4264103,0,0,9.045833162,15.49833667,21.52645001,26.27952167,31.69263058,38.95649931,46.94711524,47.21084931,0,0,2.362509317,3.387415228,4.250943409,4.175138544,4.259345903,5.283090959,6.550084093,3.124308302,0,0,173.7497847,322.8172038,454.738142,593.8649743,753.0492902,930.1286139,1062.896412,1299.421922,0,0,3.145468642,4.686431591,6.477988407,6.974434916,7.267088984,8.563075774,12.02836203,7.027030183,0,0,0.486472119,0.703875269,0.891754348,0.889512086,0.918300826,1.13624445,1.420340486,0.719567891,0,0,297.2982067,150.7370022,10.56391736,97.86820334,-49.62142136,-5.052360291,199.4300033,200.3584236,15.61627765,0.752336735,0.381451961,0.026732832,0.247663265,-0.12557095,-0.012785399,117.482265,59.56620002,4.174505298,38.67422657,-19.60871894,-1.996523078,0.122372365,0.115675334,1.377927834,1.087712147,395.16641,0,1,0,729.0594248,27.00110044,9.00024454,865.5271791,29.41984329,9.530014688,1280.84199,35.78885288,10.86005069,1.800381234,1.800381234,715.4922217,616.3925228,151.2657497,1.160773688,4.730034546,4.074898145,4.359371282,4.340761948,7.720528635,0.778611389,4.231371065,4.843393602,4.797889436,11.40981788,3.859301977,7.190473533,6.122310636,9.07644779,4.42338765,4.321434605,1.918199925,4.21250798,4.367577103,3.24974088,5.79E-04,4.31E-27,8.07E-72,3.02E-138,2.19E-226,0,0,0,0,0,0,0,0,0,0,0,0.355218465,4.769353178,0.356415754,6.981740852,0.496416354,1.010263736,1.367476253,1.474789668,1.108009213,0.340452457,0.087636402,0.441713072,0.36166201,0.022888193,4.08E-06,3.04E-29,5.69E-74,2.13E-140,1.54E-228,0,0,0,0,0,0,0,0,0,0,0,1.146422436,4.774301154,1.180379765,7.623341568,0.855337158,1.858271955,2.212985113,2.709768428,1.54256222,1.044401065,0.331162167,0.851357463,1.17070362,0.238512601,4.25E-05,3.17E-28,5.93E-73,2.22E-139,1.61E-227,0,0,0,0,0,0,0,0,0,0,0,3.994075281,4.83526477,4.496751913,11.04595379,3.537564272,6.665841374,5.786983047,8.499048223,4.134745028,4.03928329,1.760098003,3.854287001,4.119277392,2.895460619,5.16E-04,3.84E-27,7.19E-72,2.69E-138,1.95E-226,0,0,0,0,0,0,0,0,0,0,0,1.689559577,4.780716059,1.770541405,8.141652018,1.198971273,2.563181016,2.830531622,3.65157199,1.912779396,1.559901552,0.53697364,1.239473349,1.728654001,0.518081235,9.22E-05,6.88E-28,1.29E-72,4.82E-139,3.50E-227,0,0,0,0,0,0,0,0,0,0,0,5.109971111,4.87757414,5.946058798,12.862388,5.182107045,9.299044939,7.414109007,11.34150185,5.589381764,5.409757888,2.555850753,5.683464476,5.290394096,4.73944165,8.44E-04,6.29E-27,1.18E-71,4.41E-138,3.20E-226,0,0,0,0,0,0,0,0,0,0,0,2.375413794,3.919233551,2.321934724,8.664242836,1.741403933,3.606731084,3.803252205,4.826192735,2.399911705,2.160744513,0.693538864,1.842422472,2.488688994,0.932642482,1.66E-04,1.24E-27,2.32E-72,8.67E-139,6.29E-227,0,0,0,0,0,0,0,0,0,0,0,6.21280456,1.656985349,0.496589371,0.742591789,0.198052861,0.57223012,0.537395831,0.363705395,8.366379281,14.20258016,27.6811117,0.613887684,1.473331345,4.433847299,0.933659656,0.196853931,0.796829571,0.167792793,0.291438973,0.170491977,0.056796641,5.564360886,5.196319187,11.57559715,0.695244357,0.518727592,5.065684711,1.190576398,0.303318002,0.772257583,0.18150195,0.380421139,0.277335656,0.135238411,6.559579111,7.928721277,16.31763694,0.658386375,0.792995206,6.160379137,1.635670346,0.487756861,0.743665277,0.197453957,0.562613115,0.523652608,0.350841249,8.283806344,13.8789261,27.07754103,0.615497915,1.437106972,5.376594724,1.316993255,0.355703143,0.76271424,0.186826339,0.428553032,0.339403247,0.186189576,7.049291122,9.461869269,19.02987264,0.644071361,0.954145855,6.380277289,1.725075618,0.524804609,0.739300213,0.199889239,0.603497677,0.58249059,0.406355342,8.630157517,15.26018736,29.66658623,0.608950319,1.592343608,6.161976284,1.637762567,0.487597401,0.743541241,0.197622314,0.562907969,0.525002313,0.350685883,8.287336251,13.89498648,27.10308456,0.615311862,1.438596165 +UMLYSI0080,L,n-tetradecylbenzene,CCCCCCCCCCCCCCC1=CC=CC=C1,aromatic,C20H34,1459-10-5,15086,PubChem,,330.3,0,-2.1345,4.55609025,75.439,57.870962,6,6,54,20,34,0,20,0,0,0,0,0,0,0,0,0,2919.828596,3296.923412,3832.764285,3611.124907,3142.01128,2923.072503,2726.315774,2529.559045,2332.802316,9527.185346,12371.38299,16849.07491,17537.03161,15922.27105,14748.16696,13741.36862,12734.57027,11727.77193,379.238096,392.809808,728.49234,1009.82206,965.847616,902.16438,839.27948,776.39458,713.50968,70.89483876,93.63850654,138.0610866,153.3841173,141.6767843,131.3173927,122.2958638,113.2743349,104.2528061,8823.087291,7742.053744,15574.32951,23393.52728,22553.77657,21138.41162,19659.45647,18180.50131,16701.54616,90.02777778,110.1666667,178.0833333,217.5,202.25,187.8333333,175.5833333,163.3333333,151.0833333,54.07089993,61.05413726,37.57612044,25.0772563,22.76819768,22.65947677,22.71929812,22.78882023,22.87061094,176.4293583,229.099685,165.1870089,121.7849417,115.3787757,114.3268757,114.5114052,114.7258583,114.9781562,7.022927704,7.274255704,7.142081765,7.012653194,6.998895768,6.993522326,6.993995667,6.994545766,6.995192941,1.312867385,1.734046417,1.353540065,1.065167481,1.026643365,1.017964284,1.019132198,1.020489504,1.022086334,163.3905054,143.3713656,152.689505,162.4550506,163.4331635,163.863656,163.8288039,163.7883001,163.7406486,1.66718107,2.040123457,1.745915033,1.510416667,1.46557971,1.456072351,1.463194444,1.471471471,1.48120915,0.098767117,-0.001062082,-0.042765068,-0.011845503,-0.004270619,0.006789505,8.95E-04,5.84E-05,1.75E-06,1524.534928,1.59E-12,-561.4872105,-16.44106295,-75.72853238,12.45535072,10.96070863,9.466066547,7.971424461,2834.937799,-6.93E-12,-1044.109444,-30.57285862,-140.8204397,23.16125653,20.38190574,17.60255496,14.82320418,0.298645926,-5.77E-15,-0.10999149,-0.003220691,-0.0148347,0.002439918,0.002147128,0.001854337,0.001561547,12.67349099,2.73E-14,-4.667655017,-0.136674903,-0.629532886,0.103541593,0.091116602,0.078691611,0.06626662,68.84260422,-1.09E-12,-25.35477613,-0.742420242,-3.419632628,0.562439577,0.494946828,0.427454079,0.359961329,6.484053498,0.91718107,-0.152491998,0.590363512,-0.516860997,-0.042152492,-0.095736168,-0.149319845,-0.202903521,0.001829021,-1.97E-05,-4.19E-04,-8.23E-05,-3.09E-05,5.26E-05,7.46E-06,5.26E-07,1.71E-08,28.2321283,2.95E-14,-5.504776573,-0.114174048,-0.548757481,0.096553106,0.091339239,0.085279879,0.07815122,52.49884813,-1.28E-13,-10.2363671,-0.212311518,-1.020437969,0.179544624,0.169849215,0.158581576,0.145325531,0.00553048,-1.07E-16,-0.001078348,-2.24E-05,-1.07E-04,1.89E-05,1.79E-05,1.67E-05,1.53E-05,0.234694278,5.06E-16,-0.045761324,-9.49E-04,-0.004561833,8.03E-04,7.59E-04,7.09E-04,6.50E-04,1.274863041,-2.02E-14,-0.248576237,-0.005155696,-0.024779947,0.004359997,0.004124557,0.003850938,0.003529033,0.120075065,0.016984835,-0.00149502,0.004099747,-0.00374537,-3.27E-04,-7.98E-04,-0.001345224,-0.00198925,-0.010753396,-0.229229433,-0.044975127,-0.016919717,0.028775956,0.004077615,2.88E-04,9.36E-06,1.04E-15,-0.194982699,-0.004044118,-0.01943734,0.003419973,0.003235294,0.003020668,0.002768166,-2.45E-15,-0.194982699,-0.004044118,-0.01943734,0.003419973,0.003235294,0.003020668,0.002768166,-1.93E-14,-0.194982699,-0.004044118,-0.01943734,0.003419973,0.003235294,0.003020668,0.002768166,2.16E-15,-0.194982699,-0.004044118,-0.01943734,0.003419973,0.003235294,0.003020668,0.002768166,-1.58E-14,-0.194982699,-0.004044118,-0.01943734,0.003419973,0.003235294,0.003020668,0.002768166,0.141451805,-0.012450708,0.034143197,-0.031191901,-0.002721327,-0.006644189,-0.01120319,-0.016566722,1.28176719,1.295423581,0.956534705,0.923486322,0.861258647,0.885425986,0.899659005,0.912690123,1.325,1.341046713,0.979136029,0.975959079,0.946169631,0.946985294,0.947933227,0.949048443,1.325,1.341046713,0.979136029,0.975959079,0.946169631,0.946985294,0.947933227,0.949048443,1.325,1.341046713,0.979136029,0.975959079,0.946169631,0.946985294,0.947933227,0.949048443,1.325,1.341046713,0.979136029,0.975959079,0.946169631,0.946985294,0.947933227,0.949048443,1.325,1.341046713,0.979136029,0.975959079,0.946169631,0.946985294,0.947933227,0.949048443,1.135263784,1.02285041,0.834891908,0.847334564,0.805245242,0.831580722,0.86218682,0.898193994,245.6556042,122.8278021,198.7063095,245.6556042,12.28278021,122.8278021,-8.53E-14,0.211242458,0.010562123,-3.109497429,195.5491172,9.777455859,10.55162317,245.6556042,122.8278021,198.7063095,245.6556042,12.28278021,122.8278021,-8.53E-14,0.211242458,0.010562123,-3.109497429,195.5491172,9.777455859,10.55162317,245.6556042,122.8278021,198.7063095,245.6556042,12.28278021,122.8278021,-8.53E-14,0.211242458,0.010562123,-3.109497429,195.5491172,9.777455859,10.55162317,245.6556042,122.8278021,198.7063095,245.6556042,12.28278021,122.8278021,-8.53E-14,0.211242458,0.010562123,-3.109497429,195.5491172,9.777455859,10.55162317,245.6556042,122.8278021,198.7063095,245.6556042,12.28278021,122.8278021,-8.53E-14,0.211242458,0.010562123,-3.109497429,195.5491172,9.777455859,10.55162317,245.6556042,122.8278021,198.7063095,245.6556042,12.28278021,122.8278021,-8.53E-14,0.211242458,0.010562123,-3.109497429,195.5491172,9.777455859,10.55162317,287.9424851,143.3719857,234.6624176,287.7029296,14.38514648,143.3719857,-0.342222222,0.268986926,0.013449346,-2.626185003,168.8389901,8.441949507,10.25789108,0,11.85,12.15027013,-0.21004417,0.090255799,5.127069809,8.758237526,20,54,51,48,14,3,0,0,0,6,37.169038,3.785298535,3.536256451,3.432506171,3.275306867,3.079477032,2.862749759,2.639981851,2.619181914,1.996734267,1.939132915,1.859565329,1.744027166,1.599958901,1.437496443,1.269237466,1.10883828,3.797680933,3.564161544,3.461937554,3.30726752,3.114377609,2.900169855,2.680512255,2.645815032,1.960319384,1.88212089,1.798741722,1.676804663,1.524937273,1.353871494,1.176775698,1.008159544,3.854404651,3.68574739,3.590499339,3.44771272,3.269455107,3.0695399,2.864071791,2.771820215,1.866265184,1.709795903,1.61596856,1.475652082,1.300526062,1.103917455,0.901574997,0.798620231,3.806911849,3.584659632,3.483578566,3.330822074,3.140211318,2.928058138,2.710674413,2.665925019,1.9385497,1.845287073,1.759610265,1.633649566,1.476759108,1.300120903,1.117359132,0.960278991,3.883717434,3.744276636,3.65250008,3.515772291,3.345214905,3.153521408,2.955875508,2.838078588,1.839633108,1.655115139,1.558072172,1.412186024,1.230026662,1.026085811,0.816817499,0.738564276,3.956445657,3.548893085,3.465183586,3.331024369,3.158958929,2.966915962,2.871581952,2.765979184,1.877700367,1.823492809,1.730582379,1.597386512,1.429902396,1.24010764,1.042632856,0.852449445,0,0,0,5,1,1,13,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.612372436,0.649519053,0.219416097,0.27300174,0.255985446,14.30527233,9.931851653,7.181798276,5.190670698,3.749817761,2.707707785,1.537575054,1.024729747,0.715263617,0.496592583,0.341990394,0.235939577,0.163035555,0.112821158,0.080925003,0.05692943,13.5791395,8.971343774,6.124685856,4.161829883,2.814791641,1.894596295,1.160571698,0.758148118,0.678956975,0.448567189,0.291651707,0.189174086,0.122382245,0.078941512,0.061082721,0.04211934,29.21107266,52.09322651,49.33333333,49.92,33.57542635,411.7084204,0.54094579,0.96468938,0.913580247,0.924444444,0.621767155,7.624230007,6.9302,91.224,150.7743999,233.3532306,301.5487999,15.07743999,150.7743999,0.142371552,0.007118578,-3.898630156,201.2660279,10.0633014,10.60925511,527,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,14,0,0,5,0,0,0,0,0,0,0,0,1,0,13,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.39695801,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.927658406,0,3.267451665,0,0,1.927658406,0,0,0,0,0,0,0,0,2.289479401,0,18.48022925,0,0,10.89734759,0,0,0,0,1.499610418,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.499610418,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.366413367,0,0.205565945,0,0,0.366413367,0,0,0,0,0,0,0,0,2.289479401,0,1.262171202,0,0,2.102931148,0,0,0,0,1.499610418,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.248553475,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.408179488,0,0.359305556,0,0,0.408179488,0,0,0,0,0,0,0,0,2.289479401,0,1.466276957,0,0,2.248553475,0,0,0,0,1.499610418,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,33.16666667,1.658333333,0.408179488,2.289479401,0.104889929,1.262171202,13.45475462,0.237828798,0.289479401,2.373653992,0.237828798,0.289479401,2.373653992,10,0.5,0,0,0.44815,0.7,0.43333,0.43333,0.7,0.01481,0.01481,0,0,0.71429,0,0,0.05,0.05,0,16,0.8,10,0.5,6,0.3,-4,-0.2,0,0,21.84788,1.09239,27.52099,5.67311,0.28366,7.94966,0.39748,9.93185,1.98218,0.09911,-0.01785,-8.90E-04,0.06815,0.00341,0.111111111,20,0,0,0,0,0,0,0.7,0.950956048,1.919326765,2.636780161,3.311399782,3.757215225,4.038757234,51.35162662,103.6436453,142.3861287,178.8155882,202.8896221,218.0928907,0.165243204,0.333512473,0.458181009,0.575406518,0.652873792,0.701796036,4.803931454,3.835560737,3.118107342,2.44348772,1.997672277,1.716130268,0.163033427,0.329052453,0.452053811,0.567711679,0.644142992,0.692411005,6.792227135,14.24325272,17.94947885,21.0668247,22.68360705,23.8354617,77.9749164,61.73091565,51.62898483,42.34567804,36.707381,32.75239277,18.05,13.95918367,11.38016529,14,6,14,3.66,2.689,0,2.389569309,0.071428571,0,31.83302779,4.479105658,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,9.907,21,22,23,24,19,18,17,16,15,215,3.17805383,3.417726684,3.70745584,4.036450584,4.393677252,3.903234499,3.882851628,3.862044636,3.840795496,3.81908501,6.177165803,2.235465116,0.470588235,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13,0.65,14,0.7,2,9,17,0.888888889,1,0.444444444,0.1875,0.151111111,0.090277778,0.060408163,0.043402778,0.032753842,0.025625,0.020610142,0.05,0.021164021,0.009868421,0.009444444,0.006018519,0.004314869,0.003338675,0.002729487,0.002329545,0.002061014,0.126715067,128.3022874,205.2545865,256.6045749,12.83022874,128.3022874,0.136533446,0.006826672,-3.98237134,341.0130892,17.05065446,11.66384172,0,323.3103164,5.321928095,4.418840608,5.129898715,5.855071922,6.580639137,7.31521839,8.048468744,8.789203094,9.527848201,10.2734291,105.9386179,3.713572067,0,4.828313737,0,6.107022888,0,7.466799475,0,8.873608102,9.161255164,274.2660511,5.079000946,39.70850173,1.985425087,0,0,0,1238,19,9.766,82,1.24382044,2.162882147,2.90304634,3.669853311,4.90290959,5.910288177,7.17887602,8.293323921,9.552176621,10.70047044,86.97279165,89.43291622,85.18930672,104.3737464,130.6030053,157.9630861,185.8981163,214.0158939,242.5911537,271.4774683,310.7357059,379.4547853,385.8984737,489.9210056,616.6822588,750.8684946,889.8683037,1029.027919,1170.677429,1312.718709,9.083170088,15.49317349,20.41914664,25.86401464,34.4176229,41.53031136,50.37353786,58.20845732,66.99738689,75.06276801,2.296700293,3.059440437,3.280441002,4.194941978,5.335012414,6.495036778,7.738255398,8.955291808,10.21553897,11.45797636,176.1303698,327.030817,467.4017247,586.4781015,794.1048328,953.9581499,1164.11648,1343.57337,1551.067548,1736.578324,2.612500426,3.867568645,4.504968882,5.671038792,7.351319404,8.96138016,10.82996829,12.60836444,14.55183988,16.46002793,0.474006497,0.641880879,0.696119256,0.890738723,1.135531565,1.382093905,1.64844634,1.907803269,2.177489228,2.442322312,609.550918,656.9100277,20.32015777,89.28272149,-96.21955003,-5.262520893,520.2681965,753.1295777,25.58267866,0.872240378,0.940009168,0.029077246,0.127759622,-0.137685916,-0.007530434,425.9746865,459.0708255,14.20040981,62.39376921,-67.24145834,-3.677626628,0.057556897,0.060570267,1.401877385,0.580980232,698.8336395,0,1,0,1347.699915,36.71103261,11.0458142,1678.120704,40.96487158,11.88340956,2375.618274,48.74031467,13.3431659,4.149923898,4.149923898,11324.66518,11267.02781,236.1723583,1.00511558,47.9508494,47.70680146,8.443927689,10.73218028,21.21923696,0.977159943,9.891030111,14.20356451,7.037044919,66.53260359,25.42438698,4.386359738,12.23844728,12.41820714,47.93776059,3.308523665,4.522454425,44.42684071,7.096319952,50.4110158,4.603530491,3.614467526,24.70826886,8.749977802,43.18209693,4.405696557,5.986131985,14.96592148,7.670684697,28.10115861,5.100730398,5.57844307,8.22995047,7.111680429,12.58234181,6.373988526,0.830195226,14.2029558,0.542467274,15.27480675,1.115121019,1.167536707,1.667779651,1.633681534,12.24647898,0.474844116,1.298591812,3.6493344,1.214217408,10.08636637,1.212125653,0.415922365,1.984588038,1.251483053,7.273378255,0.435906742,0.527608044,1.320643152,1.133701956,4.480678672,0.273665741,0.90101756,1.171954754,1.226642917,2.100389089,0.309784967,2.679704796,14.20299769,1.782205838,18.90076739,2.835881595,1.576006824,3.764518687,3.020644333,16.9924931,0.838453884,1.792920888,10.47617799,1.851336698,16.36273618,1.668809185,0.990955069,4.728460438,2.273555105,12.67216351,1.011255516,1.325277162,2.641122145,1.913469962,8.022087845,0.93755517,1.580168745,1.908092326,1.955012582,3.700324725,1.07918311,9.336332292,14.20349811,6.609047675,60.97598749,22.78953404,4.101373303,11.5697531,11.46988243,44.85443247,3.059057068,4.26716961,41.40098288,6.536858918,47.25084356,4.312572663,3.391111106,22.64692464,8.111024049,40.30068484,4.07954428,5.539986529,13.61236492,7.074306966,26.202296,4.691514138,5.194592362,7.548618641,6.584109141,11.74973233,5.837025513,3.949335134,14.2030509,2.65876581,23.41987754,4.979532575,1.930211448,5.221964465,4.214559705,21.00446484,1.151840534,2.180877131,15.6069977,2.456026771,21.25167327,2.052255057,1.40881481,7.174563633,3.126168785,16.9515993,1.475981857,1.966836906,3.982522944,2.613419427,10.83322292,1.488729923,2.128219377,2.622623118,2.595426933,4.958864939,1.746438889,11.94482646,14.20384344,8.656247364,89.85244798,36.48200444,5.541376867,14.73880683,16.25654689,60.37392699,4.318467999,5.533425558,56.23142429,9.394113979,62.89688711,5.775440922,4.472729706,33.10147946,11.32000034,54.62628461,5.70767336,7.765151013,20.56591206,10.10156012,35.64595087,6.744979575,7.11037575,11.03561612,9.254988664,15.88188601,8.550279874,5.874966384,12.44432217,4.178053241,32.40279414,10.02780893,2.879129783,7.311452434,6.736923835,26.47550095,1.762642156,3.010497849,23.19793993,3.780653025,27.85399723,2.984156782,2.287235374,12.10149105,4.901887201,23.15092021,2.468963061,3.286153014,6.985622239,4.200807466,15.15600594,2.593494275,3.182656994,4.273356007,4.067008728,7.140712437,3.025302368,40.19614063,1.027933597,0.759800798,0.957418547,0.02448401,0.566723526,0.429303548,0.410559916,41.98387503,72.64104793,146.0191043,0.936127821,1.40658699,41.58087259,0.535877513,0.32545423,0.979705773,0.012626053,0.606267676,0.124255233,0.076697849,42.44220433,35.98932908,85.68338743,0.969558659,0.807220759,41.0576194,0.721896306,0.489741934,0.971335237,0.017078519,0.591147068,0.220177564,0.172697764,42.26925765,50.10052463,106.8854118,0.957002856,0.984022396,40.23324617,1.01476073,0.748177478,0.958021467,0.024163165,0.567763379,0.419087683,0.398331496,41.99618438,71.68794803,144.2300628,0.937032201,1.385182558,40.81342871,0.808681565,0.56633796,0.967407677,0.019168317,0.584164473,0.273271342,0.23020898,42.18844823,56.57724839,117.4577191,0.951111516,1.087644795,40.07896274,1.069526805,0.796502367,0.955512468,0.025498319,0.563446891,0.462231062,0.450319605,41.94499191,75.64039429,151.7278783,0.933268702,1.475997559,40.39582932,1.018192829,0.751076447,0.958039484,0.024147763,0.572352876,0.421116561,0.401204583,42.16509859,72.23584032,145.2932718,0.937059227,1.394674019 +UMLYSI0081,L,1-ethenyl-3-methylbenzene,CC1=CC=CC(=C1)C=C,aromatic,C9H10,100-80-1,7529,PubChem,,322.4,0,2.3617,5.57762689,44.1649,22.50793,6,6,19,9,10,0,9,0,0,0,0,0,0,0,0,0,1308.537729,1419.447969,1772.575907,1568.797281,974.639069,479.279138,106.00128,8.128512,0,4122.48956,4959.018279,6504.070143,6460.192654,4754.238025,2847.836749,1197.646631,248.6699554,0,135.049284,139.040964,216.584012,251.326404,253.958324,182.311688,117.407232,53.747712,0,29.54622905,36.2355431,49.15951627,51.37652644,41.10612815,26.28248079,12.90987062,3.556903239,0,2990.325725,2672.374682,4431.246741,5249.515863,5730.516907,4214.685796,2889.23925,1479.341216,0,48.55555556,56,74.77777778,84,74,51.33333333,29,8,0,68.87040679,74.70778784,59.08586357,44.82277946,27.07330747,18.433813,6.235369412,1.016064,0,216.9731347,261.0009621,216.8023381,184.576933,132.0621674,109.5321827,70.44980181,31.08374443,0,7.107857053,7.317945474,7.219467067,7.1807544,7.054397889,7.011988,6.906307765,6.718464,0,1.555064687,1.907133847,1.638650542,1.467900755,1.141836893,1.010864646,0.759404154,0.444612905,0,157.3855645,140.651299,147.7082247,149.9861675,159.1810252,162.1032998,169.95525,184.917652,0,2.555555556,2.947368421,2.492592593,2.4,2.055555556,1.974358974,1.705882353,1,0,0.058287523,-0.006954367,-0.008828319,-0.014006945,-0.00675212,-0.004125694,-0.004020983,0.015544666,0,573.4705689,3.77E-13,24.81685503,-253.5343568,-137.1634285,-141.1877833,3.018266152,217.315163,0,1066.393011,-4.26E-14,46.14800165,-471.4579628,-255.0612523,-262.5447121,5.612594795,404.1068252,0,0.112338947,9.37E-16,0.004861452,-0.04966564,-0.026869374,-0.027657717,5.91E-04,0.042570548,0,4.767272928,8.33E-15,0.206303039,-2.107636452,-1.140242472,-1.173697019,0.02509091,1.806545531,0,25.89590221,5.55E-14,1.120641382,-11.44871466,-6.193815207,-6.375540836,0.136294222,9.813183995,0,6.304093567,-1.660818713,0.321021853,-1.209295168,-0.535241613,-0.205601724,-1.792551554,1.930440135,0,0.003067764,-3.66E-04,-2.94E-04,-4.00E-04,-1.88E-04,-1.59E-04,-2.37E-04,0.001943083,0,30.18266152,1.98E-14,0.827228501,-7.243838766,-3.810095236,-5.43029936,0.177545068,27.16439537,0,56.12594795,-2.24E-15,1.538266722,-13.47022751,-7.085034787,-10.09787354,0.330152635,50.51335315,0,0.005912576,4.93E-17,1.62E-04,-0.001419018,-7.46E-04,-0.001063758,3.48E-05,0.005321319,0,0.250909101,4.38E-16,0.006876768,-0.060218184,-0.031673402,-0.045142193,0.001475936,0.225818191,0,1.362942221,2.92E-15,0.037354713,-0.327106133,-0.172050422,-0.245213109,0.008017307,1.226647999,0,0.331794398,-0.087411511,0.010700728,-0.034551291,-0.014867823,-0.007907759,-0.105444209,0.241305017,0,-0.119311414,-0.095925657,-0.13045279,-0.061138619,-0.051725134,-0.077101239,0.633387383,0,6.57E-16,0.027407407,-0.24,-0.126234568,-0.17991453,0.005882353,0.9,0,-4.00E-17,0.027407407,-0.24,-0.126234568,-0.17991453,0.005882353,0.9,0,8.34E-15,0.027407407,-0.24,-0.126234568,-0.17991453,0.005882353,0.9,0,1.75E-15,0.027407407,-0.24,-0.126234568,-0.17991453,0.005882353,0.9,0,2.14E-15,0.027407407,-0.24,-0.126234568,-0.17991453,0.005882353,0.9,0,-0.263450835,0.032251082,-0.104134641,-0.044810348,-0.02383331,-0.317799847,0.727272727,0,1.1028468,0.951230124,1.062555408,1.038737869,1.049966662,1.117022856,0.079560346,0,1,0.95,1.194285714,1.055555556,1.096153846,0.894117647,0,0,1,0.95,1.194285714,1.055555556,1.096153846,0.894117647,0,0,1,0.95,1.194285714,1.055555556,1.096153846,0.894117647,0,0,1,0.95,1.194285714,1.055555556,1.096153846,0.894117647,0,0,1,0.95,1.194285714,1.055555556,1.096153846,0.894117647,0,0,1.327458256,0.74025974,0.906440498,1.009044527,1.037177109,1.679580923,0,0,29.77315952,14.88657976,21.72471592,29.77315952,3.308128836,14.88658135,-7.11E-15,0.089692473,0.00996583,-2.17023158,51.67860555,5.742067283,3.550539489,29.77315952,14.88657976,21.72471592,29.77315952,3.308128836,14.88658135,-7.11E-15,0.089692473,0.00996583,-2.17023158,51.67860555,5.742067283,3.550539489,29.77315952,14.88657976,21.72471592,29.77315952,3.308128836,14.88658135,-7.11E-15,0.089692473,0.00996583,-2.17023158,51.67860555,5.742067283,3.550539489,29.77315952,14.88657976,21.72471592,29.77315952,3.308128836,14.88658135,-7.11E-15,0.089692473,0.00996583,-2.17023158,51.67860555,5.742067283,3.550539489,29.77315952,14.88657976,21.72471592,29.77315952,3.308128836,14.88658135,-7.11E-15,0.089692473,0.00996583,-2.17023158,51.67860555,5.742067283,3.550539489,29.77315952,14.88657976,21.72471592,29.77315952,3.308128836,14.88658135,-7.11E-15,0.089692473,0.00996583,-2.17023158,51.67860555,5.742067283,3.550539489,35.37707842,17.55759081,25.79133125,35.24676292,3.916306991,17.55759092,-0.234567901,0.065925151,0.007325017,-2.447311725,56.68316473,6.298129415,3.633729524,0,11.79,12.2100686,-0.290701912,0.130957374,5.531478875,8.612756818,9,19,15,12,2,4,1,0,0,7,10.93207,3.817568946,3.163755438,2.820049246,2.431276121,2.06849183,1.152884771,0.84834556,0.406394083,1.990691687,1.553711493,1.357011384,0.960256827,0.813489254,0.417767756,0.271625319,0.083923071,3.82782153,3.186468941,2.851334595,2.46277624,2.126859647,1.253465718,0.967441829,0.519011701,1.961800189,1.490154788,1.273866079,0.877561487,0.71609197,0.265859913,0.1076846,0.270913902,3.874835981,3.292790392,3.00069575,2.610489759,2.367202099,1.675962287,1.455422463,0.961842418,1.884662153,1.315253678,1.032461868,0.641531883,0.412076747,0.245363629,0.455848878,0.943918427,3.835468607,3.203550624,2.875061516,2.486511312,2.169006005,1.326940329,1.053757771,0.599720599,1.944165365,1.450687225,1.220811633,0.825345748,0.652869195,0.163790167,0.003263784,0.399277246,3.899104066,3.348289459,3.079043625,2.68695052,2.475095472,1.864195805,1.666721575,1.207644823,1.862591642,1.264865016,0.961204414,0.571766448,0.308828546,0.426866834,0.661510121,1.140951707,3.794773647,3.330273067,2.875112979,2.520378411,2.178146208,1.420101013,1.109477508,0.598008052,1.986833838,1.37816526,1.167766066,0.777832748,0.629259759,0.072345157,0.077732058,0.490909091,0,0,1,5,2,1,0,0,0,0,0,0,0.083333333,0.142258898,0,0,0,0.027777778,0.043815285,0.49279928,0,0,0,0.262891712,0,0,0,0.837103655,1.146659525,1.24013326,0.351267838,0.408940617,0.368958172,6.690234444,4.325698503,3.54605133,2.62234839,1.930516643,1.331224291,0.534517797,0.201184464,0.743359383,0.480633167,0.322368303,0.218529033,0.14850128,0.102401869,0.076359685,0.067061488,5.593858127,3.01829063,2.118262071,1.277831719,0.797087937,0.450677233,0.154692058,0.042322316,0.621539792,0.335365626,0.192569279,0.106485977,0.061314457,0.034667479,0.022098865,0.014107439,11.70913902,18.43918427,17.62745098,17.8,12.99277246,142.1120539,0.616270475,0.970483383,0.927760578,0.936842105,0.683830129,7.479581784,2.17491,39.111,36.7912283,50.73939382,73.58245661,8.175828512,36.7912283,0.054065423,0.006007269,-2.625804381,39.92247553,4.435830615,3.318245516,71,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,4,0,0,0,1,6,0,0,0,0,0,0,0,0,1,1,0,0,1,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.25694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.443055556,0.44,1.718819444,0,0,0,0.44,2.601875,0,0,0,0,0,0,0,0,2.076388889,3.672037037,0,0,1.854166667,8.256296296,0,0,0,0,2.474444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.189814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.443055556,0.44,0.422222222,0,0,0,0.44,0.422222222,0,0,0,0,0,0,0,0,2.076388889,3.672037037,0,0,1.854166667,2.034074074,0,0,0,0,1.189814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.672037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.443055556,0.44,0.44,0,0,0,0.44,0.443055556,0,0,0,0,0,0,0,0,2.076388889,3.672037037,0,0,1.854166667,2.104166667,0,0,0,0,1.28462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.33333333,2.037037037,0.443055556,3.672037037,0.1875,1.189814815,5.547395926,0.476851852,0.672037037,2.009444444,0.476851852,0.672037037,2.009444444,4.5,0.5,0,0,0.48947,0.7,0.43333,0.43333,0.7,0.05614,0.05614,0,0,0.71429,0,0,0.22222,0.22222,0,12,1.33333,4.5,0.5,7.5,0.83333,3,0.33333,0,0,4.05464,0.45052,9.9286,5.87396,0.65266,1.72117,0.19124,4.32569,2.60451,0.28939,0.08831,0.00981,0.17431,0.01937,0.315789474,9,0,0,0,0,0,0,0.111111111,0.998000884,2.352347912,3.176110252,3.681880803,3.892407119,3.787143961,18.96201679,44.69461032,60.34609478,69.95573525,73.95573525,71.95573525,0.234938304,0.553763666,0.747684663,0.866747559,0.91630733,0.891527445,3.24992663,1.895579602,1.071817262,0.566046711,0.355520395,0.460783553,0.220622795,0.520021155,0.702125953,0.813933984,0.860473927,0.837203955,6.618775012,17.77235842,24.16208512,24.67181334,26.04105808,24.77790019,32.44785067,25.54762712,17.97218929,16.79247914,15.1361115,16.55585519,7.111111111,3.239669421,2,1,8,0,2.45,1.0961,0.2,3.516759154,1.807204007,0,4.941453946,6.26120069,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.152,0.148,0.569,0.799,4.288,11,12,13,13,7,3,0,0,0,77,2.63905733,3.113515309,3.590439381,4.027581346,4.440442938,4.037553728,3.725693427,0,0,0,5.752175735,4.076298701,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,2,0.222222222,0,3,5,0.666666667,2,0.666666667,0.5,0.342222222,0.0625,0,0,0,0,0,0.222222222,0.060606061,0.055555556,0.068444444,0.03125,0,0,0,0,0,0.438078283,20.13973017,29.36341876,40.27946033,4.475495593,20.13973017,0.079991382,0.008887931,-2.273252741,47.43521114,5.270579016,3.473428324,0,130.4180268,4.169925001,3.713572067,4.465908119,5.262690189,6.033086222,6.834108739,7.608374474,8.409830673,9.185125123,9.986495092,79.4991907,2.944438979,0,4.143134726,0,5.556828062,0,7.062191632,0,8.606851063,8.851090688,118.0782503,6.214644754,17.54944621,1.949938468,0,0,0,88,9,3.329,40,1.226594934,2.171403253,3.032291431,3.818858461,4.7783316,5.677149438,5.928619167,0,0,0,100.1217143,137.8672758,142.4514574,114.1406549,91.78451879,34.46154146,6.023856506,0,0,0,339.9685791,495.6074913,577.8508379,537.2860089,539.472589,392.8824363,184.283683,0,0,0,9.00330732,15.72265414,21.81325206,27.0235238,33.56432774,39.17439748,39.83121445,0,0,0,2.446851718,3.702220209,4.560394217,4.568537358,4.945275563,4.254702584,2.63594059,0,0,0,170.831694,317.5537459,452.0192559,601.7313289,770.0322199,967.5491592,1096.306336,0,0,0,3.709928342,5.586424096,7.419930728,8.129075681,9.662795791,9.586150248,5.928619167,0,0,0,0.502468334,0.766176578,0.953008795,0.968260328,1.061024653,0.937320176,0.607090603,0,0,0,261.9029295,131.1548369,12.92257913,102.2395659,-51.19917373,-6.463268628,159.6633636,182.3540106,19.38584775,0.719231984,0.360174488,0.035487699,0.280768016,-0.140602029,-0.017749284,95.36998627,47.75904958,4.705660209,37.22977065,-18.64379488,-2.353550766,0.125017533,0.195966867,1.902763007,4.246233764,364.1424954,0,1,0,701.7521784,26.49060547,8.886442255,800.1087252,28.28619319,9.283598196,1170.367264,34.21063087,10.53838487,1.370616817,1.098551045,506.8201053,358.9874556,170.9604111,1.4118045,2.9645466,2.099827985,4.091096472,3.94895603,7.177513558,0.817572418,3.360756864,2.013170614,4.450023886,7.170909657,1.120812667,5.483559812,5.859184448,5.564421172,2.733806761,5.153267896,2.05319824,0.559674801,1.033955191,3.04E-05,4.18E-30,1.10E-76,5.64E-145,5.55E-235,0,0,0,0,0,0,0,0,0,0,0,0,0.282176059,2.013108982,0.329226144,2.582232693,0.497825286,2.102757003,1.420315174,1.224873357,0.281905726,0.284070252,0.099728345,0.00394644,0.007282231,2.14E-07,2.94E-32,7.78E-79,3.97E-147,3.91E-237,0,0,0,0,0,0,0,0,0,0,0,0,0.910580034,2.013113326,1.091115952,3.193623014,0.56890732,2.486132851,2.213037907,1.923807352,0.667092602,1.014777431,0.369761838,0.041088795,0.075886461,2.23E-06,3.06E-31,8.11E-78,4.14E-146,4.07E-236,0,0,0,0,0,0,0,0,0,0,0,0,3.172288353,2.013163927,4.169714563,6.774929175,1.062833528,5.168082789,5.547342303,5.232652205,2.542914383,4.762067711,1.888074398,0.498663343,0.921235461,2.71E-05,3.72E-30,9.84E-77,5.02E-145,4.94E-235,0,0,0,0,0,0,0,0,0,0,0,0,1.341959663,2.013118754,1.637661236,3.709898682,0.634355103,2.840379299,2.790871723,2.459086299,0.965745798,1.594534491,0.593348432,0.089239021,0.164835534,4.85E-06,6.66E-31,1.76E-77,8.98E-146,8.84E-236,0,0,0,0,0,0,0,0,0,0,0,0,4.05857093,2.013198681,5.51971709,8.767694777,1.358010489,6.774830433,7.059323532,6.867869543,3.486907882,6.707427097,2.716277734,0.816218079,1.507926474,4.44E-05,6.09E-30,1.61E-76,8.22E-145,8.09E-235,0,0,0,0,0,0,0,0,0,0,0,0,1.793675721,1.67683841,1.937454138,3.918730704,0.904759865,3.064825515,2.992832192,3.213606953,1.437939916,2.266745361,0.915806593,0.134891629,0.249174656,7.34E-06,1.01E-30,2.66E-77,1.36E-145,1.34E-235,0,0,0,0,0,0,0,0,0,0,0,0,4.326832101,2.233924343,0.310055565,0.629741011,0.325132508,0.545620017,0.486344494,0.261425561,6.870812009,11.7000146,21.56776651,0.444611517,1.293390073,2.945584735,1.378879831,0.098814922,0.66592779,0.311732468,0.250223967,0.181879139,0.026076347,4.423279488,4.48892901,9.313555915,0.498891685,0.458179452,3.401342044,1.663737985,0.168872024,0.649861139,0.317874136,0.334762979,0.267255969,0.076780282,5.233952054,6.514292278,12.70388132,0.474791709,0.678799229,4.281502987,2.206190782,0.303164984,0.630480348,0.324876553,0.534065088,0.474218974,0.249844112,6.790858753,11.412654,21.06715233,0.445720521,1.258128173,3.639046293,1.811086852,0.205248955,0.643466034,0.320241289,0.383897319,0.317756083,0.113784536,5.6553821,7.70926303,14.71736483,0.465199052,0.815437938,4.473734758,2.323693293,0.332372977,0.627469791,0.325912783,0.58393786,0.526614597,0.300749656,7.129801028,12.65486885,23.23988222,0.441204686,1.411302114,4.295617454,2.203656189,0.302744921,0.631520984,0.323970917,0.537046345,0.472873365,0.249551756,6.802018564,11.43368607,21.10150743,0.447281475,1.259471466 +UMLYSI0082,L,"1,3-diethylbenzene",CCC1=CC(=CC=C1)CC,aromatic,C10H14,141-93-5,8864,PubChem,,320.9,0,1.626,2.643876,49.2166,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2005.6539,1915.914515,1384.238191,884.899684,376.416601,90.93168,9.144576,4670.34144,5841.481647,7855.078337,8077.010367,6748.637992,4976.170055,2923.948418,1247.927098,279.7536999,169.463656,175.052008,300.821808,362.062604,340.215676,315.19912,229.716388,163.638144,60.466176,34.11358067,43.47862034,61.52167806,65.85463273,57.81937125,45.43908282,29.05727825,14.68429815,4.001516144,3856.790689,3411.659229,6369.569539,7964.771286,7515.331096,7325.718654,5471.847343,4247.253023,1664.258868,48.05555556,58.33333333,86.44444444,99,90.91666667,74,51,30,9,60.70275442,67.17251842,47.75366429,37.56695127,28.83829565,19.66443742,11.40656367,3.78882,1.016064,194.59756,243.3950686,187.0256747,158.3727523,140.5966248,110.5815568,88.60449753,51.99696242,31.08374443,7.060985667,7.293833667,7.162424,7.099266745,7.087826583,7.004424889,6.961102667,6.818256,6.718464,1.421399194,1.811609181,1.464801859,1.291267308,1.204570234,1.009757396,0.880523583,0.611845756,0.444612905,160.6996121,142.1524679,151.6564176,156.171986,156.5693978,162.7937479,165.8135559,176.9688759,184.917652,2.002314815,2.430555556,2.058201058,1.941176471,1.894097222,1.644444444,1.545454545,1.25,1,0.050038363,-0.002252934,-0.008460761,-0.009773565,-0.016699774,0.002214172,-0.00371096,0.008783889,0.004880752,706.2183858,-7.82E-14,15.13325113,-17.65545965,-363.198027,-184.121222,-194.2100561,201.7766817,189.1656391,1313.243245,2.42E-13,28.14092668,-32.83108113,-675.3822403,-342.3812746,-361.1418924,375.2123557,351.7615835,0.138343333,2.23E-15,0.0029645,-0.003458583,-0.071148,-0.036068083,-0.038044417,0.039526667,0.03705625,5.870808328,1.35E-14,0.125803036,-0.146770208,-3.019272855,-1.5306036,-1.61447229,1.677373808,1.572537945,31.89032402,-1.08E-13,0.683364086,-0.7972581,-16.40073807,-8.314263047,-8.769839104,9.111521147,8.542051076,4.49537037,-0.49537037,0.559027778,0.259837963,-2.939814815,-0.602430556,-0.924189815,0.810185185,1.085069444,0.002084932,-9.39E-05,-2.01E-04,-1.92E-04,-3.48E-04,4.92E-05,-1.12E-04,3.66E-04,5.42E-04,29.42576608,-3.26E-15,0.360315503,-0.346185483,-7.566625562,-4.091582712,-5.885153215,8.407361736,21.01840434,54.71846854,1.01E-14,0.670022064,-0.643746689,-14.07046334,-7.608472769,-10.94369371,15.63384816,39.08462039,0.005764306,9.31E-17,7.06E-05,-6.78E-05,-0.00148225,-8.02E-04,-0.001152861,0.001646944,0.004117361,0.244617014,5.62E-16,0.00299531,-0.002877847,-0.062901518,-0.034013413,-0.048923403,0.069890575,0.174726438,1.328763501,-4.51E-15,0.016270573,-0.015632512,-0.341682043,-0.184761401,-0.2657527,0.379646714,0.949116786,0.187307099,-0.020640432,0.013310185,0.005094862,-0.061246142,-0.013387346,-0.028005752,0.033757716,0.120563272,-0.04502414,-0.096620273,-0.091915969,-0.166869708,0.023599725,-0.053936218,0.175543092,0.260107178,-1.11E-16,0.012244898,-0.011764706,-0.257142857,-0.139047619,-0.2,0.285714286,0.714285714,1.84E-16,0.012244898,-0.011764706,-0.257142857,-0.139047619,-0.2,0.285714286,0.714285714,1.62E-14,0.012244898,-0.011764706,-0.257142857,-0.139047619,-0.2,0.285714286,0.714285714,2.30E-15,0.012244898,-0.011764706,-0.257142857,-0.139047619,-0.2,0.285714286,0.714285714,-3.40E-15,0.012244898,-0.011764706,-0.257142857,-0.139047619,-0.2,0.285714286,0.714285714,-0.110195675,0.071060762,0.027200582,-0.326982492,-0.071472709,-0.149517835,0.180226571,0.643666323,1.139392832,1.023219236,1.079622031,1.324478752,0.977165269,0.938699789,0.503922097,0,1.15,1.032653061,1.005042017,1.232142857,1.051428571,1.075324675,0.492857143,0,1.15,1.032653061,1.005042017,1.232142857,1.051428571,1.075324675,0.492857143,0,1.15,1.032653061,1.005042017,1.232142857,1.051428571,1.075324675,0.492857143,0,1.15,1.032653061,1.005042017,1.232142857,1.051428571,1.075324675,0.492857143,0,1.15,1.032653061,1.005042017,1.232142857,1.051428571,1.075324675,0.492857143,0,1.279093718,0.883183758,0.9697704,1.379763131,0.947476828,1.046531224,0.639546859,0,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,41.08370899,20.5418545,29.470289,41.08370899,4.108370899,20.5418545,-7.11E-15,0,0,0,4000021.864,400002.1864,15.20181039,47.36437185,23.38781855,33.68508962,47.30659407,4.730659407,23.38781855,-0.144444444,6.66E-16,6.66E-17,-34.9450411,4000024.041,400002.4041,15.20181093,0,11.89,12.11015511,-0.156960901,0.065322989,5.558256921,8.602201025,10,24,21,18,4,3,0,0,0,6,15.304898,3.821183088,3.187113103,2.957533536,2.506369281,2.408211274,1.608166766,1.603815697,0.855384625,2.007909421,1.675744272,1.520534873,1.04643109,1.010726892,0.725289572,0.686200459,0.272911904,3.832097664,3.217440143,2.994645901,2.541662255,2.447240048,1.696371143,1.695911688,0.973504521,1.976346355,1.601606812,1.440288491,0.963826287,0.91873368,0.591872591,0.558041529,0.10921766,3.882355278,3.35720401,3.162504313,2.697422216,2.620868137,2.072934023,2.058906935,1.45869598,1.892905126,1.386096379,1.196424465,0.728858084,0.65602962,0.14231256,0.125717527,0.452912596,3.840248665,3.240168173,3.022324042,2.567654668,2.476088112,1.762386402,1.760155049,1.059190678,1.957167475,1.554472888,1.388319553,0.911937169,0.860798102,0.502182141,0.471893803,0.001531568,3.908441391,3.428107175,3.245229397,2.774427119,2.707013602,2.238774667,2.218589849,1.66925518,1.869232078,1.320941753,1.119531764,0.657740328,0.576511551,0.017971902,0.028624583,0.657723944,3.856962273,3.227465597,3.070421639,2.648201686,2.541007049,1.817141377,1.812182168,1.18306542,1.943525969,1.543335035,1.315869829,0.819226463,0.785926279,0.419263867,0.380800473,0.137962042,0,0,0,4,2,2,2,0,0,0,0,0,0.083333333,0.11785113,0,0,0,0.027777778,0.03928371,0.40824829,0,0,0,0.23570226,0,0,0,0.932625685,1.22850154,1.352305361,0.489636154,0.551917411,0.542579092,7.397341225,4.863703305,3.715153309,3.046112076,2.143889804,1.593412989,0.745812289,0.353553391,0.739734123,0.486370331,0.309596109,0.217579434,0.142925987,0.099588312,0.074581229,0.058925565,6.723614639,3.942687549,2.527057686,1.807889833,1.069490284,0.701020891,0.310875228,0.126679943,0.672361464,0.394268755,0.21058814,0.129134988,0.071299352,0.043813806,0.031087523,0.021113324,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.8114,45.198,43.09324379,59.79346001,86.18648758,8.618648758,43.09324379,3.89E-16,3.89E-17,-35.4840376,4000018.863,400001.8863,15.20180963,90,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,4,0,0,4,0,0,0,0,0,0,0,0,2,0,2,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.66148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.54125,0,1.290555556,0,0,1.54125,0,0,0,0,0,0,0,0,4.378518519,0,2.293333333,0,0,8.773796296,0,0,0,0,2.887685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.443842593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0.285972222,0,0,0.363194444,0,0,0,0,0,0,0,0,2.189259259,0,1.146666667,0,0,2.136574074,0,0,0,0,1.443842593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.277777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.39875,0,0.359305556,0,0,0.39875,0,0,0,0,0,0,0,0,2.189259259,0,1.146666667,0,0,2.277777778,0,0,0,0,1.443842593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.33333333,1.833333333,0.39875,2.277777778,0.134097222,1.146666667,6.197808796,0.353333333,0.277777778,2.30462963,0.353333333,0.277777778,2.30462963,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.67902,0.6679,11.50267,4.82364,0.48236,2.89931,0.28993,4.86369,1.96438,0.19644,0.05031,0.00503,0.13631,0.01363,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.284159128,2.938721876,3.272055209,3.355388542,3.272055209,23.51685016,54.81981907,70.52932501,78.52932501,80.52932501,78.52932501,0.213713581,0.498184909,0.640947854,0.713649285,0.731824642,0.713649285,3.605093744,2.300803373,1.646240625,1.312907292,1.229573959,1.312907292,0.206076118,0.480381319,0.618042356,0.688145662,0.705671489,0.688145662,6.772325919,16.88939319,20.29712166,21.54907792,21.63306334,20.63306334,37.92632204,28.0806892,23.07894792,21.0427323,20.82731875,22.1198,8.1,4,2.285714286,2,6,2,2.56,1.28,0.166666667,3.861957538,1.414213562,0,6.603502479,7.412576046,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.894,12,14,15,16,10,6,1,0,0,94,2.63905733,3.113515309,3.590439381,4.027581346,4.440442938,4.07647756,3.725693427,1.802122256,0,0,5.77823265,3.427526596,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,0,3,6,1,2,0.666666667,0.5,0.382222222,0.180555556,0,0,0,0,0,0.2,0.055555556,0.045454545,0.054603175,0.045138889,0,0,0,0,0,0.400752165,25.06409266,36.35559528,50.12818532,5.012818532,25.06409266,2.22E-16,2.22E-17,-36.04365339,4000019.454,400001.9454,15.20180978,0,150.3504702,4.321928095,3.80666249,4.574710979,5.370638028,6.159095388,6.961296046,7.75319427,8.556606194,9.349145335,10.15280554,82.68415427,3.044522438,0,4.234106505,0,5.65248918,0,7.164720379,0,8.719480761,8.961237781,134.1095504,5.587897935,19.5689129,1.95689129,0,0,0,121,11,3.794,44,1.235929323,2.155957118,2.971810538,3.799774681,4.618309803,5.696812287,6.512070774,7.548772374,0,0,92.76161773,112.7646566,120.94984,123.0965996,101.9539536,70.6051698,26.61560324,7.670035854,0,0,323.5789178,429.7682809,497.4731145,571.7486397,549.0176111,522.5150598,353.2592955,234.6441113,0,0,9.045833162,15.4961248,21.15940378,27.01274811,32.46168676,39.70313665,44.47087797,50.71615544,0,0,2.362509317,3.315612513,4.00180521,4.802717414,4.917068935,5.129669507,4.101542969,3.356281613,0,0,173.7497847,323.1510935,459.6605685,589.1970381,743.3130033,941.1254289,1146.865086,1395.901263,0,0,3.093648486,4.590750711,5.92606654,7.380086239,7.828746841,8.918068011,8.315233634,7.548772374,0,0,0.486472119,0.690464497,0.840120244,1.015173092,1.051432538,1.112904854,0.914951257,0.772994291,0,0,306.9655418,157.1849429,10.9210592,89.66010531,-45.91140246,-5.034427789,217.3054365,203.0963453,15.95548699,0.773942744,0.396305544,0.027534929,0.226057256,-0.115755002,-0.012693147,121.7504066,62.34357968,4.331572174,35.56149729,-18.20963971,-1.99678318,0.121664159,0.119644362,2.190848765,1.147609419,396.6256471,0,1,0,729.0594248,27.00110044,9.00024454,865.5271791,29.41984329,9.530014688,1262.242732,35.52805556,10.80722748,1.534866669,1.534866669,740.737183,627.0928508,176.9721251,1.181224092,4.185615009,3.543455504,4.513777929,4.389329297,8.621033032,0.964088919,4.231360714,4.769035699,3.691802671,11.73008266,8.033630783,6.022030283,7.139713855,7.076058136,6.232359651,7.420134298,4.31923933,2.475466921,0.572471613,1.256133305,0.09857933,0.231164319,5.79E-07,2.80E-34,2.61E-83,4.69E-154,1.63E-246,0,0,0,0,0,0,0,0,0,0.355218392,4.768829469,0.279487503,5.583306477,1.860630198,1.763495673,0.5127027,1.547034419,2.310853052,0.342339141,0.260577683,0.069356756,0.24008568,0.010072389,0.001034192,0.001628109,4.08E-09,1.97E-36,1.84E-85,3.31E-156,1.15E-248,0,0,0,0,0,0,0,0,0,1.146421676,4.768843705,0.92157037,6.32935028,2.481358468,2.42232696,1.629711524,2.465107818,3.073723379,1.28967198,0.812930845,0.315081644,0.263699797,0.095341212,0.008108408,0.016966153,4.25E-08,2.06E-35,1.92E-84,3.45E-155,1.20E-247,0,0,0,0,0,0,0,0,0,3.994066058,4.769013218,3.463642908,11.17383993,7.429556437,5.68688395,6.650628205,6.663100895,5.978988749,6.810874506,3.973093742,2.241347416,0.536475036,1.120035879,0.088066443,0.205963247,5.16E-07,2.49E-34,2.33E-83,4.18E-154,1.45E-246,0,0,0,0,0,0,0,0,0,1.689557927,4.76886175,1.378505503,6.992512973,3.097294157,2.937073943,2.466488886,3.157843641,3.608572015,2.087673457,1.274085623,0.556632422,0.293043823,0.204078574,0.016776155,0.036852752,9.23E-08,4.46E-35,4.16E-84,7.48E-155,2.60E-247,0,0,0,0,0,0,0,0,0,5.109956015,4.769130128,4.558444174,13.99390914,10.5270426,7.347449482,9.045255025,8.689612983,7.185578161,9.875740992,5.711765798,3.440882709,0.723518033,1.827955654,0.142660062,0.337131435,8.45E-07,4.08E-34,3.81E-83,6.85E-154,2.37E-246,0,0,0,0,0,0,0,0,0,2.35192853,4.134393285,1.813620252,7.568372385,4.382097001,3.970114796,3.620928264,3.975932942,4.047202973,2.971887517,1.929546242,0.937228758,0.383568744,0.378467598,0.03064474,0.068776161,1.72E-07,8.33E-35,7.77E-84,1.40E-154,4.84E-247,0,0,0,0,0,0,0,0,0,6.463346586,1.704480258,0.559525116,0.740585073,0.195303256,0.573888824,0.371788391,0.366078081,8.72735196,15.58675092,30.47819337,0.610877609,1.311755296,4.439578269,1.103844243,0.236057223,0.768162269,0.190993704,0.271925271,0.155939378,0.065905561,5.779479735,6.209167838,13.14547029,0.652243404,0.49377021,5.158040446,1.317180164,0.351281576,0.755590536,0.192950962,0.366333762,0.222033602,0.145536744,6.826502185,9.068694259,18.28182755,0.633385804,0.733904108,6.40367332,1.68678032,0.550027203,0.741124648,0.195218339,0.563386178,0.364107445,0.353903885,8.640480843,15.25155972,29.83320897,0.611686971,1.281397509,5.511728572,1.42215406,0.407822608,0.750742286,0.193708956,0.417981733,0.258831176,0.1957457,7.341705239,10.66632126,21.20475509,0.626113428,0.872558608,6.653981872,1.761022426,0.589856381,0.73893224,0.195563539,0.608092175,0.396862152,0.406297403,9.004860679,16.68145528,32.59814172,0.60839836,1.41125173,6.402860356,1.689894174,0.549391401,0.740887785,0.195541037,0.563143253,0.365453099,0.352753126,8.642145931,15.26624616,29.85289298,0.611331677,1.281349478 +UMLYSI0083,L,benzophenone,C1=CC=C(C=C1)C(=O)C2=CC=CC=C2,aromatic,C13H10O,119-61-9,3102,PubChem,,319.8,0,2.1518,4.63024324,64.8174,30.34993,12,12,24,14,10,0,13,0,1,0,0,0,0,0,0,0,2141.562214,2332.932563,3078.959795,3087.052274,2501.86123,2065.040644,1408.358792,778.898404,249.249337,6032.947944,7379.33229,10099.97866,10142.50338,8088.070598,6899.330151,5741.756548,3778.523424,1590.079788,178.563064,186.777428,290.60918,370.27364,335.290456,259.878304,234.257696,197.791888,118.229284,41.34503305,51.5193831,72.3608662,74.68392668,58.98613276,50.0748239,45.20298517,32.5292122,15.25415772,3682.954435,3459.689791,5524.641665,7542.77666,6857.601056,5198.753601,4880.599869,4436.479404,2831.115954,107.3333333,82.55555556,123.4444444,158.6666667,160.6666667,124.6666667,85.33333333,56,28,89.23175892,93.31730252,78.94768705,61.74104548,56.8604825,60.73648953,44.01121225,27.81780014,14.66172571,251.372831,295.1732916,258.9738118,202.8500676,183.8197863,202.921475,179.4298921,134.9472652,93.53410519,7.440127667,7.47109712,7.451517436,7.4054728,7.620237636,7.643479529,7.320553,7.063996,6.954663765,1.72270971,2.060775324,1.855406826,1.493678534,1.340593926,1.472788938,1.412593287,1.161757579,0.897303395,153.4564348,138.3875916,141.6574786,150.8555332,155.8545695,152.9045177,152.5187459,158.445693,166.5362326,4.472222222,3.302222222,3.165242165,3.173333333,3.651515152,3.666666667,2.666666667,2,1.647058824,0.192885887,-0.059398759,-0.0848414,0.045240304,0.038690528,0.005952656,-0.045561694,-0.012289101,0.004214933,758.0264938,19.52240584,-175.7016526,70.49740335,-54.44262786,-185.7819506,-304.7810941,-40.55139914,133.6288453,1272.869547,42.20221927,-379.8199734,-140.2827787,1.190971463,-75.4138663,-378.3765427,-136.4366175,179.1184867,1.044981333,6.93E-04,-0.006241,0.157829556,-0.301905778,-0.402861556,-0.228337778,0.079373778,0.104188556,5.867186598,0.20627001,-1.856430094,-1.437026201,0.142863858,0.310418273,-1.178064517,-0.753080795,0.622957932,32.62372082,1.150182964,-10.35164667,-9.173114821,0.877545718,2.656219736,-5.570391196,-4.3020869,3.106528347,33.83333333,-1.881944444,-3.284722222,7.291666667,-6.75,-11.54166667,-8,1.75,3.0625,0.008036912,-0.00237595,-0.002175421,9.05E-04,8.79E-04,1.75E-04,-0.001423803,-4.39E-04,2.48E-04,31.58443724,0.780896234,-4.505170579,1.409948067,-1.237332451,-5.464175018,-9.524409191,-1.448264255,7.860520311,53.03623111,1.688088771,-9.738973677,-2.805655574,0.027067533,-2.218054891,-11.82426696,-4.872736338,10.53638157,0.043540889,2.77E-05,-1.60E-04,0.003156591,-0.006861495,-0.011848869,-0.007135556,0.002834778,0.006128739,0.244466108,0.0082508,-0.047600772,-0.028740524,0.003246906,0.009129949,-0.036814516,-0.026895743,0.036644584,1.359321701,0.046007319,-0.265426838,-0.183462296,0.019944221,0.07812411,-0.174074725,-0.153645961,0.182736962,1.409722222,-0.075277778,-0.084223647,0.145833333,-0.153409091,-0.339460784,-0.25,0.0625,0.180147059,-0.295629758,-0.270678655,0.112581311,0.109411449,0.021784253,-0.17715796,-0.054610085,0.030849813,0.024724083,-0.142638938,0.044640595,-0.039175384,-0.173002133,-0.301553867,-0.04585373,0.248873211,0.031828973,-0.183628691,-0.052900734,5.10E-04,-0.041821503,-0.222946969,-0.091875615,0.198663845,6.37E-04,-0.003675296,0.072497167,-0.157587388,-0.272132002,-0.163881715,0.065106107,0.140758233,0.033750283,-0.194713173,-0.117564452,0.01328162,0.037346482,-0.150591493,-0.110018288,0.149896378,0.033845791,-0.19526418,-0.134966062,0.014672186,0.057472863,-0.128059991,-0.113031345,0.134432461,-0.053399015,-0.059744853,0.103448276,-0.108822212,-0.240799768,-0.177339901,0.044334975,0.127789047,1.083383551,1.070198921,0.975951003,1.415570032,1.31533212,0.882223787,0.500489093,0.429150947,0.744326949,0.95426532,0.900913342,1.083250643,1.171579666,1.246223581,1.049536708,0.864324347,0.82603319,1.05901691,1.001199303,0.928906653,0.944517268,1.191222367,1.162262638,0.957157466,0.467326089,0.599136012,0.851134055,2.059962417,2.101410236,0.922553082,0.149139506,0.12282077,0.848128258,1.087343921,1.065009955,0.944498889,0.903349009,1.111852573,1.127226003,0.928303768,0.8492266,1.088752051,1.081778026,0.966517815,0.908800369,1.084007798,1.101205667,0.906875255,0.528735632,0.65849859,0.820295567,1.986191969,2.04829518,0.944170772,0.194229416,0.159953637,67.92289062,34.08644531,52.98690739,68.13717633,4.866941167,34.08644531,0.25,4.16E-16,2.97E-17,-49.58106262,3000044.952,214288.9251,20.87979296,67.92475834,34.08701196,52.98747404,68.13841455,4.867029611,34.08701196,0.249265579,7.22E-16,5.15E-17,-48.81099775,3000044.952,214288.9251,20.87979296,69.6140142,34.60750986,53.50797194,69.50001578,4.964286842,34.60750986,-0.398994478,7.22E-16,5.15E-17,-48.81099775,3000044.952,214288.9251,20.87979296,67.92671865,34.08760673,52.9880688,68.13971419,4.867122442,34.08760673,0.2484948,5.27E-16,3.77E-17,-49.25011833,3000044.952,214288.9251,20.87979296,71.47466518,35.19618546,54.09664754,71.16543825,5.083245589,35.19618546,-1.082294264,9.99E-16,7.14E-17,-48.35540639,3000044.952,214288.9251,20.87979296,68.11895865,34.14604642,53.04650849,68.26735938,4.876239956,34.14604642,0.173134186,3.33E-16,2.38E-17,-49.89346359,3000044.952,214288.9251,20.87979296,77.05054628,38.49747068,61.60227069,77.35309962,5.525221401,38.49747068,0.648351648,0.004406607,3.15E-04,-7.594510251,2057.293048,146.9495034,10.68080488,0,11.85,15.9949179,-0.287699773,0.192894253,5.385181002,9.240986406,15,25,18,12,2,7,1,0,0,13,11.89007,3.88226928,3.685571875,3.120038978,2.619181914,2.619181914,2.504002052,2.197868762,0.941428501,2.003539948,1.887024474,1.230417505,1.082250302,1.082250302,0.918665126,0.486136545,0.310513972,3.870632754,3.697839778,3.046899846,2.645815032,2.645815032,2.524959487,2.047226585,1.053336623,1.991592399,1.85438747,1.255582618,1.007167592,1.007167592,0.844854126,0.522490039,0.150156259,3.925249333,3.753641659,3.174180877,2.771820215,2.771820215,2.62904968,2.314253943,1.517793787,1.915701172,1.765197588,1.103933098,0.798620231,0.798620231,0.652258884,0.17651974,0.396843083,3.871898495,3.706968874,3.033486203,2.665925019,2.665925019,2.541019993,2.00857326,1.134811365,1.984990324,1.834252271,1.273488259,0.960278991,0.960278991,0.799840051,0.531940552,0.041902902,3.940045931,3.782107253,3.179945238,2.838078588,2.838078588,2.687104756,2.340787965,1.721464227,1.900283617,1.739187207,1.091337138,0.738564276,0.738564276,0.600771853,0.146160716,0.594311107,4.468069148,3.733444276,3.724960395,2.719411872,2.719411872,2.675869685,2.547201356,1.227894669,1.94384052,1.801423539,1.099493008,0.89263954,0.89263954,0.768800462,0.110482732,0.065332999,0,0,0,11,2,0,0,0,0,0,0,0,0.204124145,0.11785113,0,0,0,0.06415003,0.032075015,0.525783423,0,0.19245009,0,0.217697703,0,0.034020691,0,1.541518998,2.285535934,2.98347837,0.461675935,0.57376694,0.606190642,9.803118619,6.877010098,5.655296949,4.786799924,3.70480061,2.845979306,1.338835953,0.916116078,0.700222759,0.45846734,0.297647208,0.199449997,0.132314307,0.088936853,0.055784831,0.038171503,7.681750982,4.52549135,3.061174953,2.071955532,1.345721802,0.863253845,0.331733173,0.186564215,0.548696499,0.301699423,0.161114471,0.08633148,0.048061493,0.026976683,0.013822216,0.007773509,16.42393812,23.76984705,22.97647059,23.2,17.47301198,177.2373533,0.684330755,0.990410294,0.957352941,0.966666667,0.728042166,7.384889721,2.9176,56.3165,84.11148628,120.5089256,168.2229726,12.01592661,84.11148628,7.22E-16,5.15E-17,-48.81099775,3000049.405,214289.2432,20.87979504,183,0,0,1,13,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.8462963,20.1537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.965555556,0,0,0,0,4.965555556,0,0,0,0,0,0,0,0,0,0,0,0,0,18.6087037,0,0,0,0.075185185,1.469814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.8462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.8462963,0.075185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.477777778,0,0,0,0,0.477777778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.828703704,0,0,0,0.075185185,0.734907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.8462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.8462963,1.904537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0,0,0,0,0.5125,0,0,0,0,0,0,0,0,0,0,0,0,0,1.904537037,0,0,0,0.075185185,0.734907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.8462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,32,2.285714286,0.5125,11.8462963,0.312222222,0.075185185,5.847364259,1.591481481,4.846296296,9.692592593,1.591481481,4.846296296,9.692592593,6.83333,0.4881,0,0.0119,0.56528,0.75476,0.44,0.47685,0.75476,0.12528,0.08843,-0.03685,0,0.64669,0.0676,0,0.04878,0.21951,0,21.25,1.51786,7.75,0.55357,13.5,0.96429,5.75,0.41071,0,0,6.15213,0.43944,18.30478,12.15266,0.86805,2.39807,0.17129,6.87699,4.47893,0.31992,0.03701,0.00264,0.20901,0.01493,0.541666667,43.01,1,1,1,1,0,0,0,1.196420947,1.733355755,2.137918503,2.938721876,3.220175521,3.220175521,28.71410273,41.60053812,51.31004406,70.52932501,77.28421252,77.28421252,0.260944544,0.37805233,0.466289201,0.640947854,0.702334102,0.702334102,3.388541554,2.851606746,2.447043998,1.646240625,1.364786979,1.364786979,0.239284189,0.346671151,0.427583701,0.587744375,0.644035104,0.644035104,9.335450613,15.77866831,20.63342128,25.79603725,24.81793472,24.81793472,44.16205176,43.09802746,39.86201732,32.0775698,32.88884792,32.88884792,10.51555556,5.185595568,2.75,1,14,0,2.78,1.4808,0,0,0,0,13.99526164,11.77053417,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.515,0.523,1.45,1.427,7.187,19,24,28,32,24,24,20,16,12,228,3.135494216,3.663561646,4.226833745,4.711779921,5.192262165,5.029620594,5.364222141,5.432902891,5.614495784,5.731873777,7.380791415,7.034470943,0.5,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.133333333,2,0.133333333,0,4,8,1,1.5,1.333333333,0.875,0.382222222,0.138888889,0.078367347,0.048611111,0,0,0,0.1,0.070175439,0.048611111,0.027301587,0.011574074,0.009795918,0.012152778,0,0,0,0.279610907,45.12535533,67.87777379,90.25071066,6.446479333,45.12535533,4.72E-16,3.37E-17,-49.40583422,3000047.605,214289.1146,20.8797942,17.07,177.2263572,4.807354922,4.234106505,5.043425117,5.866468057,6.693323668,7.524561226,8.35678967,9.191055611,10.02530688,10.86078586,96.79582259,3.433987204,0,4.672828834,0,6.137727054,0,7.690286021,0,9.282754052,9.514068023,182.0731649,7.586381873,28.405439,2.028959929,2.571147955,2.571147955,0,307,18,2.266,68,1.244010382,2.221420681,3.037644731,3.918618818,4.665359031,5.173841978,6.000642032,6.939466472,7.930385625,8.784732971,123.5786285,182.0179286,190.0640999,231.757751,293.0321725,246.3609337,176.7825331,103.0286224,37.16429674,8.925850922,385.0361378,591.0789071,627.4330869,733.73469,964.1840196,982.0520512,842.4059686,659.6342723,466.0388998,273.0623946,9.314721615,16.57148742,22.53928314,29.76288691,35.81148734,38.10902741,42.48054208,48.31336568,54.32755926,59.01991222,2.661551168,4.208229851,4.618316003,5.318989266,6.935071622,7.627334621,7.184131583,6.312236637,5.28144917,3.905805645,170.6112772,313.3156978,454.9456,609.3470739,714.118221,780.6801063,943.8913396,1151.544422,1383.027413,1624.452195,4.188407659,7.106160009,9.741615542,14.2869807,17.49558814,14.44385193,12.28887211,11.5580602,10.55471656,8.784732971,0.55374044,0.889201923,1.011339328,1.215053934,1.550288992,1.624902021,1.523141387,1.365367922,1.173179425,0.899556656,228.5068833,196.6973148,14.49762798,187.6475583,-161.5258601,-18.94181447,40.85932498,358.2231749,33.43944244,0.54909154,0.472654609,0.034837134,0.45090846,-0.388139219,-0.04551631,95.09415438,81.8564612,6.033252274,78.09036482,-67.21970408,-7.882720221,0.224007549,0.33417209,1.507573361,11.6105469,381.4102266,34.74421488,0.916511248,0.083488752,1241.428118,35.2339058,10.74749354,1340.421601,36.61176862,11.02589382,2363.859401,48.61953724,13.32111407,1.926072051,1.82373858,1283.303851,1006.710329,276.7373601,1.27474986,4.637262748,3.637782512,4.94933933,5.137057572,9.216062741,0.794035323,3.619036696,2.805052448,5.305582759,12.17616221,0.005207314,9.224788215,9.356995008,11.19191293,3.658146142,3.473063951,9.386478027,2.367731738,4.559319723,0.589689425,2.90649811,3.23E-04,0.885583444,4.18E-04,2.14E-27,2.57E-72,6.15E-139,2.86E-227,0,0,0,0,0,0,0,0,0.320427498,1.964017395,0.590216778,2.948050271,0.00382042,6.821391589,6.983860975,4.574889921,0.668179498,0.647799758,2.590979858,0.196001094,2.306635317,0.004968665,0.243080478,3.92E-06,0.006237237,2.94E-06,1.51E-29,1.81E-74,4.33E-141,2.01E-229,0,0,0,0,0,0,0,0,0.986482883,2.135581696,1.489404779,3.794960447,0.003176818,6.739568813,6.80336375,4.451693577,1.028876618,1.044532353,3.944601535,0.634249408,2.500031115,0.04537454,0.785248079,2.79E-05,0.064996814,3.07E-05,1.57E-28,1.89E-73,4.52E-140,2.10E-228,0,0,0,0,0,0,0,0,3.421199309,2.753626384,5.05267563,11.80933052,0.005542824,9.403065427,9.582634782,11.22746535,3.401068172,3.861705939,9.074985571,2.232994055,4.327159618,0.525964017,2.742917516,2.89E-04,0.789038905,3.73E-04,1.91E-27,2.29E-72,5.48E-139,2.55E-227,0,0,0,0,0,0,0,0,1.446208639,2.253392693,2.128466035,4.597708692,0.003048713,6.879683504,6.907413204,4.831492298,1.350914676,1.211780907,4.854258353,0.936592054,2.711898399,0.096553231,1.15787236,5.66E-05,0.141181766,6.67E-05,3.41E-28,4.10E-73,9.81E-140,4.56E-228,0,0,0,0,0,0,0,0,4.370485646,2.995744128,6.407206244,15.89808502,0.006135563,10.06782139,10.24893406,14.08084074,4.746708247,4.582465673,11.01406812,2.868632478,5.525920594,0.857347461,3.512763009,4.65E-04,1.291540224,6.10E-04,3.12E-27,3.75E-72,8.98E-139,4.17E-227,0,0,0,0,0,0,0,0,1.991832228,2.338916878,3.107660306,8.491649118,0.008170849,10.54114604,10.89407052,11.79515478,1.770406515,4.496912429,6.480008654,1.270539734,3.161772508,0.162319487,1.568873537,9.30E-05,0.239461763,1.13E-04,5.79E-28,6.95E-73,1.66E-139,7.73E-228,0,0,0,0,0,0,0,0,7.323546942,2.1767819,7.84E-04,0.77080941,0.229108106,0.541135793,0.524406241,0.255318046,9.50111253,15.94920972,25.46281561,0.656214115,1.320860079,5.528945259,1.579690509,4.38E-04,0.777730756,0.222207643,0.308436104,0.276200046,0.047421749,7.109073696,8.737135423,15.850034,0.666596134,0.632057899,6.249010618,1.599394033,5.52E-04,0.796158143,0.20377155,0.393993832,0.283119223,0.104019445,7.848956487,9.998961325,17.85343321,0.694237214,0.7811325,7.157870802,2.207466995,7.81E-04,0.76423022,0.235686426,0.516931032,0.539300554,0.244270477,9.366118504,15.80807513,25.1865294,0.64634533,1.300502063,6.610627072,1.662177079,6.03E-04,0.799021118,0.200905992,0.44090941,0.305773691,0.139597526,8.273407206,10.99302175,19.27305534,0.698531676,0.886280627,7.479077687,2.299702376,8.25E-04,0.764762756,0.235152889,0.564364063,0.585302797,0.285481986,9.779605014,17.20771974,27.00151362,0.647144135,1.435148845,7.166653057,2.20585305,7.78E-04,0.764582968,0.235334076,0.51820025,0.538512123,0.242608238,9.373283676,15.81587128,25.20144723,0.646874453,1.299320611 +UMLYSI0084,L,n-tridecylbenzene,CCCCCCCCCCCCCC1=CC=CC=C1,aromatic,C19H32,123-02-4,31238,PubChem,,319.8,0,-1.8465,3.40956225,72.5274,54.777376,6,6,51,19,32,0,19,0,0,0,0,0,0,0,0,0,2773.532347,3128.445115,3639.055748,3414.368178,2945.254551,2726.315774,2529.559045,2332.802316,2136.045587,9041.500955,11718.39286,15935.5278,16530.23326,14915.47271,13741.36862,12734.57027,11727.77193,10720.97358,358.260652,371.034028,685.762832,946.93716,902.962716,839.27948,776.39458,713.50968,650.62478,67.21671296,88.62251792,130.3733965,144.3625884,132.6552555,122.2958638,113.2743349,104.2528061,95.23127721,8326.45763,7309.014293,14650.12731,21914.57212,21074.82141,19659.45647,18180.50131,16701.54616,15222.591,85.77777778,104.9166667,168.8333333,205.25,190,175.5833333,163.3333333,151.0833333,138.8333333,54.3829872,61.34206108,37.90683071,25.29161613,22.83143063,22.71929812,22.78882023,22.87061094,22.96823212,177.2843325,229.772409,165.9950813,122.4461723,115.6238194,114.5114052,114.7258583,114.9781562,115.2792858,7.024718667,7.27517702,7.143362833,7.014349333,6.999710977,6.993995667,6.994545766,6.995192941,6.995965376,1.317974764,1.73769643,1.358056213,1.069352507,1.028335314,1.019132198,1.020489504,1.022086334,1.023992228,163.2638751,143.3140057,152.6054928,162.3301639,163.3707086,163.8288039,163.7883001,163.7406486,163.6837742,1.681917211,2.057189542,1.758680556,1.52037037,1.472868217,1.463194444,1.471471471,1.48120915,1.492831541,0.094544564,-0.001062082,-0.040653792,-0.011845503,-0.004270619,0.006789505,8.95E-04,5.84E-05,1.61E-06,1443.296735,-1.12E-12,-520.9887884,-17.59436809,-75.68371036,12.84668146,11.17102736,9.495373255,7.819719151,2683.871909,-6.10E-12,-968.8008991,-32.71747877,-140.7370912,23.88895275,20.77300239,17.65705203,14.54110168,0.282731922,1.38E-15,-0.102058127,-0.003446616,-0.014825919,0.002516577,0.002188328,0.001860078,0.001531829,11.99815618,2.20E-14,-4.330990781,-0.146262353,-0.62916028,0.106794734,0.092864986,0.078935238,0.06500549,65.1741748,-1.07E-12,-23.52601066,-0.794499422,-3.417608624,0.580110689,0.504444077,0.428777466,0.353110854,6.298474946,0.886165577,-0.099961553,0.554690504,-0.534922466,-0.056869153,-0.116942202,-0.177015251,-0.237088299,0.001853815,-2.08E-05,-4.23E-04,-8.77E-05,-3.31E-05,5.66E-05,8.06E-06,5.73E-07,1.73E-08,28.29993598,-2.19E-14,-5.426966546,-0.130328653,-0.586695429,0.107055679,0.100639886,0.093091895,0.084083002,52.6249394,-1.20E-13,-10.09167603,-0.242351695,-1.090985203,0.199074606,0.187144166,0.173108353,0.156355932,0.005543763,2.70E-17,-0.001063105,-2.55E-05,-1.15E-04,2.10E-05,1.97E-05,1.82E-05,1.65E-05,0.235257964,4.32E-16,-0.045114487,-0.001083425,-0.004877211,8.90E-04,8.37E-04,7.74E-04,6.99E-04,1.277924996,-2.10E-14,-0.245062611,-0.005885181,-0.02649309,0.004834256,0.004544541,0.004203701,0.003796891,0.123499509,0.017375796,-0.001041266,0.004108819,-0.004146686,-4.74E-04,-0.001053533,-0.001735444,-0.002549337,-0.011233665,-0.228435416,-0.047331836,-0.017858078,0.030520416,0.004349273,3.09E-04,9.35E-06,-7.73E-16,-0.191766036,-0.004605263,-0.020731334,0.003782895,0.003556188,0.003289474,0.002971138,-2.27E-15,-0.191766036,-0.004605263,-0.020731334,0.003782895,0.003556188,0.003289474,0.002971138,4.88E-15,-0.191766036,-0.004605263,-0.020731334,0.003782895,0.003556188,0.003289474,0.002971138,1.84E-15,-0.191766036,-0.004605263,-0.020731334,0.003782895,0.003556188,0.003289474,0.002971138,-1.65E-14,-0.191766036,-0.004605263,-0.020731334,0.003782895,0.003556188,0.003289474,0.002971138,0.140695261,-0.008431339,0.033269918,-0.033576537,-0.00383734,-0.008530668,-0.014052231,-0.020642483,1.271847916,1.286687102,0.955915634,0.921688081,0.856628613,0.883012459,0.899194745,0.914495726,1.315789474,1.332493832,0.978618421,0.975367197,0.943667763,0.944612376,0.945723684,0.947050085,1.315789474,1.332493832,0.978618421,0.975367197,0.943667763,0.944612376,0.945723684,0.947050085,1.315789474,1.332493832,0.978618421,0.975367197,0.943667763,0.944612376,0.945723684,0.947050085,1.315789474,1.332493832,0.978618421,0.975367197,0.943667763,0.944612376,0.945723684,0.947050085,1.315789474,1.332493832,0.978618421,0.975367197,0.943667763,0.944612376,0.945723684,0.947050085,1.128502248,1.014125195,0.835495215,0.849569233,0.807624957,0.837349369,0.872319267,0.914057531,219.194228,109.597114,177.4177248,219.194228,11.53653832,109.597114,1.42E-14,0.222599356,0.011715756,-2.854525293,155.4691804,8.182588441,9.588250279,219.194228,109.597114,177.4177248,219.194228,11.53653832,109.597114,1.42E-14,0.222599356,0.011715756,-2.854525293,155.4691804,8.182588441,9.588250279,219.194228,109.597114,177.4177248,219.194228,11.53653832,109.597114,1.42E-14,0.222599356,0.011715756,-2.854525293,155.4691804,8.182588441,9.588250279,219.194228,109.597114,177.4177248,219.194228,11.53653832,109.597114,1.42E-14,0.222599356,0.011715756,-2.854525293,155.4691804,8.182588441,9.588250279,219.194228,109.597114,177.4177248,219.194228,11.53653832,109.597114,1.42E-14,0.222599356,0.011715756,-2.854525293,155.4691804,8.182588441,9.588250279,219.194228,109.597114,177.4177248,219.194228,11.53653832,109.597114,1.42E-14,0.222599356,0.011715756,-2.854525293,155.4691804,8.182588441,9.588250279,258.368212,128.596557,210.8341874,258.1401418,13.58632325,128.596557,-0.333333333,0.283630744,0.014927934,-2.394155962,175.9333122,9.259648013,9.823199529,0,11.85,12.15025325,-0.21004417,0.090237879,5.12714847,8.758083098,19,51,48,45,13,3,0,0,0,6,34.982624,3.78529845,3.530962202,3.413569129,3.2380015,3.023145699,2.791012944,2.619181914,2.553968953,1.996683371,1.934511836,1.845372299,1.716773935,1.558007092,1.381929282,1.204298575,1.082250302,3.797680816,3.558932246,3.443297777,3.27055051,3.058717225,2.828992804,2.645815032,2.596410532,1.960304299,1.877482588,1.783839649,1.648045921,1.48071608,1.295410896,1.108675668,1.007167592,3.854404096,3.680796673,3.573238357,3.413861613,3.217615089,3.002009428,2.786428936,2.771820215,1.866264402,1.704896653,1.598991062,1.442407371,1.249563865,1.037338387,0.825022095,0.798620231,3.8069117,3.579478214,3.465162665,3.294557087,3.085101234,2.857353255,2.665925019,2.627852545,1.93854235,1.840616093,1.744259157,1.603922402,1.431069387,1.239811801,1.047299371,0.960278991,3.883716122,3.739447031,3.635932602,3.483410284,3.295553923,3.088412868,2.880886493,2.838078588,1.839632742,1.650096351,1.540454029,1.377577103,1.177114635,0.957445883,0.738564276,0.737745587,3.950867383,3.540954111,3.446447721,3.296362898,3.107471487,2.901390017,2.866042802,2.685169901,1.880113807,1.820222608,1.716418349,1.567633131,1.382598077,1.176768672,0.968139428,0.774370261,0,0,0,5,1,1,12,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.612372436,0.649519053,0.219416097,0.27300174,0.255985446,13.59816555,9.431851653,6.828244885,4.940670698,3.573041065,2.582707785,1.449186706,0.962229747,0.715692924,0.496413245,0.341412244,0.235270033,0.162410958,0.112291643,0.080510373,0.05660175,12.87203272,8.471343774,5.771132466,3.911829883,2.638014945,1.769596295,1.07218335,0.695648118,0.677475406,0.445860199,0.288556623,0.186277613,0.11990977,0.076938969,0.059565742,0.040920478,27.66924486,49.20538966,46.60784314,47.16,31.77687186,388.6801653,0.542534213,0.964811562,0.913879277,0.924705882,0.623075919,7.621179711,6.5401,86.607,137.0636833,211.7604816,274.1273667,14.42775614,137.0636833,0.148565099,0.007819216,-3.62279087,167.726121,8.82769058,9.732431592,471,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,13,0,0,5,0,0,0,0,0,0,0,0,1,0,12,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.38580768,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.93211324,0,3.06188572,0,0,1.93211324,0,0,0,0,0,0,0,0,2.287147579,0,16.99371141,0,0,10.8872668,0,0,0,0,1.498540879,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.498540879,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.367389929,0,0.206315909,0,0,0.367389929,0,0,0,0,0,0,0,0,2.287147579,0,1.261763642,0,0,2.101201045,0,0,0,0,1.498540879,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.246331253,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.408951093,0,0.359305556,0,0,0.408951093,0,0,0,0,0,0,0,0,2.287147579,0,1.462316813,0,0,2.246331253,0,0,0,0,1.498540879,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,31.66666667,1.666666667,0.408951093,2.287147579,0.10600104,1.261763642,12.7340176,0.238236358,0.287147579,2.348828752,0.238236358,0.287147579,2.348828752,9.5,0.5,0,0,0.44902,0.7,0.43333,0.43333,0.7,0.01569,0.01569,0,0,0.71429,0,0,0.05263,0.05263,0,15.5,0.81579,9.5,0.5,6,0.31579,-3.5,-0.18421,0,0,20.13442,1.05971,25.73264,5.59822,0.29464,7.44966,0.39209,9.43185,1.98218,0.10433,-0.01785,-9.40E-04,0.06815,0.00359,0.117647059,19,0,0,0,0,0,0,0.684210526,0.95260921,1.953700022,2.696812869,3.393603587,3.843461864,4.11113803,48.58306969,99.63870113,137.5374563,173.073783,196.0165551,209.6680395,0.167936844,0.344420579,0.475425009,0.598263244,0.677569405,0.72475842,4.719816132,3.71872532,2.975612473,2.278821755,1.828963478,1.561287312,0.165530466,0.339485354,0.468612613,0.589690691,0.667860469,0.714373309,6.793558664,14.49418174,18.3422941,21.55177217,23.14466336,24.19243017,74.0005068,58.11684711,47.9524978,38.70640751,33.36330928,30.00692577,17.05263158,13.005,10.44897959,13,6,13,3.55,2.5481,0,2.375789767,0.076923077,0,29.73917078,4.532727543,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,9.408,20,21,22,23,18,17,16,15,14,204,3.135494216,3.384390263,3.682609841,4.01863274,4.381245079,3.882851628,3.862044636,3.840795496,3.81908501,3.796892698,6.154061599,2.302083333,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,0.631578947,13,0.684210526,2,8,16,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.060408163,0.043402778,0.032753842,0.025625,0.020610142,0.052631579,0.022222222,0.010416667,0.010074074,0.006448413,0.004646782,0.003616898,0.002977622,0.0025625,0.002290016,0.13355805,114.9800685,183.8971737,229.9601371,12.10316511,114.9800685,0.14306924,0.00752996,-3.694410481,151.2989354,7.963101865,9.536589411,0,306.0143318,5.247927513,4.369447852,5.081404365,5.80814249,6.535241271,7.271703707,8.006700845,8.749415407,9.489864257,10.23742085,103.549341,3.663561646,0,4.779123493,0,6.061456919,0,7.425953657,0,8.837681216,9.123692565,260.250401,5.10294904,37.70849787,1.984657783,0,0,0,1054,18,9.197,78,1.243476544,2.163003749,2.9047318,3.672944695,4.89850825,5.904258336,7.167695509,8.28126001,9.533836249,10.67943993,87.25227677,90.17355469,85.71131131,104.4547556,130.6397594,158.0651243,186.0779768,214.3386667,243.0934271,272.2752893,311.3589837,381.2588743,387.7665566,490.3939725,616.6182423,750.7985797,889.9418097,1029.349193,1171.402733,1314.058039,9.081630001,15.49680169,20.4359147,25.88626101,34.38803637,41.48929457,50.29887174,58.12793344,66.87632782,74.92459438,2.299913166,3.069523654,3.293276753,4.199087334,5.333362841,6.492489842,7.735472956,8.953383522,10.2147047,11.45973393,176.0212034,326.8698482,467.3022787,586.9343532,793.294791,952.8908583,1162.024101,1341.320129,1547.532191,1732.48572,2.633515157,3.896740224,4.537594334,5.701514535,7.380186881,9.002222731,10.88581134,12.68913611,14.66378449,16.62072811,0.474616144,0.643834634,0.698710228,0.891618489,1.135136426,1.381481562,1.647718807,1.907219857,2.177032245,2.442319131,578.1154874,592.3592002,19.48629029,87.77318622,-89.93575768,-5.172962825,490.3423012,682.2949578,24.65925311,0.868186396,0.889576927,0.029263586,0.131813604,-0.135061252,-0.00776851,384.9605551,394.4452821,12.97569999,58.44717056,-59.88720239,-3.444617354,0.060537258,0.063706663,1.474468156,0.564983796,665.8886736,0,1,0,1285.618346,35.85552044,10.87353326,1596.665062,39.95829153,11.68793912,2258.489469,47.52356751,13.12016681,3.989438143,3.989438143,9516.047554,9465.125731,221.1267207,1.005379942,43.03436293,42.80407948,8.090242959,10.58234902,20.04111843,0.893825122,9.333229005,13.2550472,6.740712413,61.55972583,23.44953733,4.386344098,11.44413421,12.28017967,43.57336205,3.277711913,4.522048347,39.87761451,6.985781367,44.44597919,4.60346231,3.612427006,21.6598738,8.749966814,36.37084191,4.40569594,5.980046047,12.35064268,7.670684677,20.94977245,5.100730383,5.563853495,6.170016789,7.047740825,5.605719502,6.213374824,0.783382844,13.25448059,0.520350342,14.26141415,1.101054675,1.167521195,1.545220584,1.632709039,11.16752682,0.474627079,1.298185736,3.33697118,1.213438875,8.936730402,1.212125173,0.413883377,1.882609736,1.251482974,6.162420741,0.435906738,0.521585704,1.283910905,1.13370195,3.477707792,0.273665741,0.887121626,1.153019179,1.226192567,1.239937976,0.308653752,2.528588722,13.2545196,1.708996182,17.61956244,2.690534627,1.575991303,3.504855466,3.010512985,15.49788559,0.836192405,1.792514811,9.434622317,1.843223791,14.47549123,1.66880418,0.988915768,4.30085291,2.273554297,10.68238823,1.01125547,1.319241874,2.403024603,1.913469955,6.116563285,0.937555169,1.566132637,1.745832094,1.950319759,1.990410892,1.067394974,8.809813549,13.2549854,6.331229016,56.43668324,21.02987024,4.101357677,10.81656969,11.34690219,40.78136806,3.031604333,4.266763533,37.1591199,6.438371029,41.66738734,4.312511915,3.38907068,19.87647504,8.111014259,33.93912758,4.079543731,5.533904495,11.26990688,7.074306948,19.55200327,4.691514125,5.180045751,5.710313136,6.527140103,5.288682917,5.693921596,3.726617845,13.25456913,2.549033472,21.79437097,4.664206658,1.930195915,4.86817904,4.192553937,19.14881581,1.146928368,2.180471055,14.02459947,2.438404453,18.78524321,2.052244186,1.406775294,6.441531937,3.126167032,14.27399961,1.475981759,1.960792719,3.509703814,2.613419418,8.203468221,1.48872992,2.114086624,2.280830563,2.585233518,2.547356689,1.720833481,11.27120084,13.25530683,8.289406028,83.05717588,33.60238495,5.541361167,13.79220304,16.05524795,54.8284323,4.273532044,5.53301948,50.48968649,9.232903841,55.42049221,5.775341487,4.470688839,28.91319644,11.31998431,46.03563028,5.707672462,7.759050602,16.80996783,10.10156009,26.49766312,6.744979554,7.095626531,8.045320478,9.161738769,6.836069477,8.316039883,5.515150997,11.55191003,3.982801368,29.84222164,9.216467333,2.850397853,6.793134068,6.620032297,23.93884624,1.733967506,2.980139211,20.68696289,3.703147121,24.44686086,2.954365272,2.262767831,10.69828769,4.85298692,19.4115619,2.444334932,3.24846281,5.932600879,4.158904401,11.43113883,2.567624165,3.139298506,3.47913581,4.00342205,3.697915617,2.937304045,35.76890224,1.013853647,0.755386901,0.952868192,0.027008626,0.565650494,0.403645472,0.396136278,37.53814279,64.04964396,128.9814636,0.929302288,1.365432245,36.83334583,0.523101717,0.327056531,0.977439512,0.013881451,0.599595831,0.114474488,0.075522388,37.68350408,31.48525661,75.47035068,0.966159268,0.789592708,36.4325978,0.707603437,0.488612586,0.968210105,0.01880483,0.586690756,0.203763439,0.167444936,37.62881382,43.92700119,94.15216511,0.952315158,0.957899131,35.79759073,1.000603215,0.74387072,0.953532818,0.026652855,0.566551379,0.393698802,0.384306847,37.54206467,63.19228341,127.3791906,0.930299228,1.344557028,36.24496816,0.794110355,0.564114677,0.963880061,0.021118163,0.580700509,0.253791858,0.222514094,37.60319319,49.67679233,103.5166188,0.945820092,1.057006461,35.67824411,1.055731997,0.791771602,0.950767041,0.028133537,0.562808729,0.435838856,0.434663722,37.52574771,66.75158303,134.1007256,0.926150561,1.433311307,35.94445652,1.003771176,0.746301924,0.953572226,0.026629094,0.571190289,0.39520885,0.386382994,37.69452962,63.6545428,128.2756528,0.930358339,1.352782133 +UMLYSI0085,L,1-ethenyl-4-methylbenzene,CC1=CC=C(C=C1)C=C,aromatic,C9H10,622-97-9,12161,PubChem,,318.8,0,2.3617,5.57762689,44.1649,22.50793,6,6,19,9,10,0,9,0,0,0,0,0,0,0,0,0,1308.537729,1419.447969,1772.575907,1568.797281,853.57306,423.824018,220.970905,63.583632,6.096384,4122.48956,4959.018279,6504.070143,6460.192654,4529.110611,2429.572389,1236.271578,666.9343151,186.5024666,135.049284,139.040964,216.584012,251.326404,253.934608,180.315848,77.120164,55.743552,40.310784,29.54622905,36.2355431,49.15951627,51.37652644,40.09970387,22.93782377,11.24861748,6.901560265,2.667677429,2990.325725,2672.374682,4431.246741,5249.515863,5725.049994,4373.661318,1785.20025,1320.365695,1109.505912,48.55555556,56,74.66666667,84.77777778,74.66666667,43.66666667,21.33333333,16,6,68.87040679,74.70778784,59.08586357,44.82277946,23.71036278,16.30092377,20.08826409,7.947954,1.016064,216.9731347,261.0009621,216.8023381,184.576933,125.8086281,93.44509189,112.3883252,83.36678939,31.08374443,7.107857053,7.317945474,7.219467067,7.1807544,7.053739111,6.935224923,7.010924,6.967944,6.718464,1.555064687,1.907133847,1.638650542,1.467900755,1.113880663,0.882223991,1.022601589,0.862695033,0.444612905,157.3855645,140.651299,147.7082247,149.9861675,159.0291665,168.217743,162.2909319,165.0457118,184.917652,2.555555556,2.947368421,2.488888889,2.422222222,2.074074074,1.679487179,1.939393939,2,1,0.058235079,-0.007002113,-0.008063828,-0.011095862,-0.025409095,0.016632463,0.004189255,-0.007276937,0.008908578,573.4705689,3.48E-13,24.81685503,-253.5343568,-258.2294375,145.5475011,-38.90209707,-69.4201215,162.9863722,1066.393011,-7.11E-14,46.14800165,-471.4579628,-480.1886658,270.6517934,-72.34011069,-129.0896803,303.0801189,0.112338947,9.37E-16,0.004861452,-0.04966564,-0.050585374,0.028511756,-0.007620654,-0.013598925,0.031927911,4.767272928,8.10E-15,0.206303039,-2.107636452,-2.146666757,1.209939445,-0.323393953,-0.577090933,1.354909148,25.89590221,5.46E-14,1.120641382,-11.44871466,-11.6607279,6.572410268,-1.756681085,-3.134767109,7.359887996,6.304093567,-1.660818713,0.209910742,-0.43151739,-2.353955063,1.075100031,0.560787935,-1.999384426,1.447830102,0.003065004,-3.69E-04,-2.69E-04,-3.17E-04,-7.06E-04,6.40E-04,3.81E-04,-9.10E-04,0.001484763,30.18266152,1.83E-14,0.827228501,-7.243838766,-7.17303993,5.597980812,-3.53655428,-8.677515188,27.16439537,56.12594795,-3.74E-15,1.538266722,-13.47022751,-13.33857405,10.40968436,-6.576373699,-16.13621004,50.51335315,0.005912576,4.93E-17,1.62E-04,-0.001419018,-0.001405149,0.001096606,-6.93E-04,-0.001699866,0.005321319,0.250909101,4.27E-16,0.006876768,-0.060218184,-0.059629632,0.046536132,-0.02939945,-0.072136367,0.225818191,1.362942221,2.87E-15,0.037354713,-0.327106133,-0.323909108,0.25278501,-0.15969828,-0.391845889,1.226647999,0.331794398,-0.087411511,0.006997025,-0.012329068,-0.065387641,0.041350001,0.050980721,-0.249923053,0.241305017,-0.120238741,-0.087697847,-0.103433672,-0.23027969,0.208714273,0.124254755,-0.296775151,0.484424444,6.07E-16,0.027407407,-0.24,-0.237654321,0.185470085,-0.117171717,-0.2875,0.9,-6.66E-17,0.027407407,-0.24,-0.237654321,0.185470085,-0.117171717,-0.2875,0.9,8.34E-15,0.027407407,-0.24,-0.237654321,0.185470085,-0.117171717,-0.2875,0.9,1.70E-15,0.027407407,-0.24,-0.237654321,0.185470085,-0.117171717,-0.2875,0.9,2.11E-15,0.027407407,-0.24,-0.237654321,0.185470085,-0.117171717,-0.2875,0.9,-0.263450835,0.021088435,-0.03715876,-0.197072769,0.124625375,0.153651543,-0.753246753,0.727272727,1.103303484,0.944014527,1.048309492,1.225809074,0.78853204,0.837369409,1.32116536,0.102436614,1,0.95,1.194285714,1.161111111,0.730769231,1.036363636,1.1875,0,1,0.95,1.194285714,1.161111111,0.730769231,1.036363636,1.1875,0,1,0.95,1.194285714,1.161111111,0.730769231,1.036363636,1.1875,0,1,0.95,1.194285714,1.161111111,0.730769231,1.036363636,1.1875,0,1,0.95,1.194285714,1.161111111,0.730769231,1.036363636,1.1875,0,1.327458256,0.750834879,0.842989663,1.19851577,0.854145854,0.764294147,2.498376623,0,30.56903365,15.28451682,22.99620886,30.56903365,3.396559294,15.28451789,1.78E-15,0.054917113,0.006101901,-2.611737234,84.74488308,9.41609812,3.995680831,30.56903365,15.28451682,22.99620886,30.56903365,3.396559294,15.28451789,1.78E-15,0.054917113,0.006101901,-2.611737234,84.74488308,9.41609812,3.995680831,30.56903365,15.28451682,22.99620886,30.56903365,3.396559294,15.28451789,1.78E-15,0.054917113,0.006101901,-2.611737234,84.74488308,9.41609812,3.995680831,30.56903365,15.28451682,22.99620886,30.56903365,3.396559294,15.28451789,1.78E-15,0.054917113,0.006101901,-2.611737234,84.74488308,9.41609812,3.995680831,30.56903365,15.28451682,22.99620886,30.56903365,3.396559294,15.28451789,1.78E-15,0.054917113,0.006101901,-2.611737234,84.74488308,9.41609812,3.995680831,30.56903365,15.28451682,22.99620886,30.56903365,3.396559294,15.28451789,1.78E-15,0.054917113,0.006101901,-2.611737234,84.74488308,9.41609812,3.995680831,35.93754434,17.85148822,26.83166394,35.7701918,3.974465756,17.8514883,-0.234567901,0.02294642,0.002549602,-3.397134021,96.51472008,10.72385779,4.112725983,0,11.79,12.2100686,-0.290705628,0.130952956,5.491565344,8.455569756,9,19,15,12,2,4,1,0,0,7,10.93207,3.816160388,3.190431908,2.66130596,2.619181914,2.004857408,1.108179745,0.941428501,0.340081511,1.990232186,1.570243569,1.295278187,1.082250302,0.717485083,0.395839361,0.310513972,0.083923071,3.826499906,3.212274347,2.701378672,2.645815032,2.059050617,1.212253856,1.053336623,0.462888087,1.961244651,1.507881592,1.203552042,1.007167592,0.620208218,0.242713533,0.150156259,0.270913902,3.873855624,3.315112171,2.887182566,2.771820215,2.283389784,1.645180859,1.517793787,0.956873364,1.88374212,1.336949328,0.925444391,0.798620231,0.325767684,0.274769268,0.396843083,0.943918427,3.834208782,3.228732347,2.731525097,2.665925019,2.098203412,1.287993769,1.134811365,0.551691193,1.943541644,1.469202268,1.14409908,0.960278991,0.557816949,0.139689524,0.041902902,0.399277246,3.89826642,3.369122677,2.980776895,2.838078588,2.385690902,1.836488122,1.721464227,1.207644823,1.861531025,1.288014549,0.83899913,0.738564276,0.228568198,0.459673335,0.594311107,1.159082743,3.794498266,3.338525078,2.780549643,2.666259176,2.107308455,1.376500284,1.189180732,0.569568549,1.985032551,1.41074596,1.051440683,0.941198331,0.533631984,0.051729913,0.031212968,0.490909091,0,0,1,5,2,1,0,0,0,0,0,0,0.083333333,0.142258898,0,0,0,0.027777778,0.043815285,0.49279928,0,0,0,0.262891712,0,0,0,0.90104757,0.937443702,1.069035594,0.371602583,0.317978591,0.325655962,6.690234444,4.325698503,3.534145948,2.712778743,1.73736354,1.373773448,0.686886724,0.11785113,0.743359383,0.480633167,0.321285995,0.226064895,0.144780295,0.098126675,0.08586084,0.058925565,5.593858127,3.01829063,2.114807748,1.31305253,0.702535676,0.482713694,0.194955662,0.022680461,0.621539792,0.335365626,0.19225525,0.109421044,0.05854464,0.03447955,0.024369458,0.01134023,11.70913902,18.43918427,17.62745098,17.8,12.99277246,142.1120539,0.616270475,0.970483383,0.927760578,0.936842105,0.683830129,7.479581784,2.17491,39.111,36.40309101,49.22239066,72.80618203,8.089575781,36.40309101,0.096723867,0.010747096,-2.102305585,57.28426909,6.364918788,3.643223445,77,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,4,0,0,0,1,6,0,0,0,0,0,0,0,0,1,1,0,0,1,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.25707483,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.444897959,0.443055556,1.713194444,0,0,0,0.443055556,2.601147959,0,0,0,0,0,0,0,0,2.076258503,3.660593348,0,0,1.846666667,8.276481481,0,0,0,0,2.473333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.181111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.444897959,0.443055556,0.422222222,0,0,0,0.443055556,0.422222222,0,0,0,0,0,0,0,0,2.076258503,3.660593348,0,0,1.846666667,2.05787037,0,0,0,0,1.181111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.660593348,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.444897959,0.443055556,0.434375,0,0,0,0.443055556,0.444897959,0,0,0,0,0,0,0,0,2.076258503,3.660593348,0,0,1.846666667,2.08037037,0,0,0,0,1.292222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.33333333,2.037037037,0.444897959,3.660593348,0.1875,1.181111111,5.547413655,0.485555556,0.660593348,2.026666667,0.485555556,0.660593348,2.026666667,4.5,0.5,0,0,0.48947,0.7,0.43333,0.43333,0.7,0.05614,0.05614,0,0,0.71429,0,0,0.22222,0.22222,0,12,1.33333,4.5,0.5,7.5,0.83333,3,0.33333,0,0,4.01987,0.44665,9.88205,5.86219,0.65135,1.72117,0.19124,4.32569,2.60451,0.28939,0.08831,0.00981,0.17431,0.01937,0.315789474,9,0,0,0,0,0,0,0.111111111,0.998000884,2.352347912,3.070847094,3.576617645,3.681880803,3.576617645,18.96201679,44.69461032,58.34609478,67.95573525,69.95573525,67.95573525,0.234938304,0.553763666,0.722904777,0.841967673,0.866747559,0.841967673,3.24992663,1.895579602,1.17708042,0.671309869,0.566046711,0.671309869,0.220622795,0.520021155,0.678855982,0.790664012,0.813933984,0.790664012,6.618775012,17.77235842,22.89892723,24.5657265,23.51474229,23.40865545,32.44785067,25.54762712,19.39193298,17.02910309,17.97559888,18.21222283,7.111111111,3.239669421,2,1,8,0,2.45,1.0961,0.166666667,3.619399318,1.590541458,0,4.883593419,6.597539554,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.152,0.148,0.569,0.799,4.288,11,12,12,14,8,2,0,0,0,77,2.63905733,3.113515309,3.590439381,3.986666548,4.466626252,4.1763085,3.446011397,0,0,0,5.746802053,4.054383117,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,2,0.222222222,0,3,6,1,2,0.888888889,0.25,0.342222222,0.118055556,0,0,0,0,0,0.222222222,0.080808081,0.027777778,0.085555556,0.059027778,0,0,0,0,0,0.475391414,20.69044905,31.20338714,41.3808981,4.597877567,20.69044905,0.05682378,0.006313753,-2.581020349,58.78058292,6.53117588,3.66643042,0,130.4180268,4.169925001,3.713572067,4.465908119,5.252273428,6.02827852,6.816735881,7.598399329,8.386400901,9.169830829,9.957265258,79.38866433,2.944438979,0,4.143134726,0,5.556828062,0,7.055312843,0,8.590257762,8.836955157,118.0782503,6.214644754,17.54959443,1.949954937,0,0,0,90,9,3.329,40,1.226594934,2.171403983,3.032224471,3.817420064,4.730644942,5.743486031,6.659554083,7.107665621,0,0,100.1217143,137.8682021,142.3903796,98.02941637,82.33465594,122.6022715,53.259775,7.221843161,0,0,339.9685791,495.6097186,577.6944838,506.2482343,458.0614074,665.8783207,557.6742215,220.9328617,0,0,9.00330732,15.72266227,21.81253311,27.00417723,32.84877583,40.31227982,46.41527471,47.7525956,0,0,2.446851718,3.702232652,4.559483732,4.424494946,4.274513889,5.996878865,5.765064186,3.160159858,0,0,170.831694,317.5536748,452.0250361,601.2688566,792.7872678,928.8852956,1098.184975,1314.332838,0,0,3.709925303,5.577981891,7.500238711,8.166471066,8.119664515,11.42650364,13.37055293,7.107665621,0,0,0.502468334,0.766178992,0.95283061,0.941525349,0.922236318,1.283765647,1.258753434,0.72782496,0,0,253.6071614,127.0066255,12.53617262,135.9525203,-68.08510743,-8.687267088,117.6546411,195.0917329,21.22343971,0.651009777,0.326026105,0.032180365,0.348990223,-0.174774523,-0.022300221,98.79512503,49.47666059,4.883587415,52.96162051,-26.52321277,-3.384209001,0.124504101,0.195957639,3.247302868,6.600148323,389.5596816,0,1,0,701.7521784,26.49060547,8.886442255,800.1087252,28.28619319,9.283598196,1166.848189,34.15915966,10.52781195,2.031035713,2.031035713,540.1916412,461.5008945,103.2792326,1.170510497,5.230399449,4.468477185,3.964214801,4.340761948,7.880307595,0.815420355,3.360756864,2.013170614,4.435224528,7.171090487,1.539719131,6.701594714,6.903215804,6.675439405,1.776977951,2.784608453,5.750079129,3.706282133,0.055205647,0.375698547,0.406029226,2.46E-17,3.72E-55,1.18E-114,7.39E-196,8.98E-299,0,0,0,0,0,0,0,0,0,0,0.282176059,2.013108982,0.32799624,2.600685214,0.886455388,1.88278757,1.426091934,1.267438117,0.129407272,1.061228697,0.35818559,0.106741444,0.004577381,0.018647875,0.002859697,1.73E-19,2.62E-57,8.30E-117,5.20E-198,6.32E-301,0,0,0,0,0,0,0,0,0,0,0.910580034,2.013113326,1.087116233,3.216414458,0.964717761,2.485350196,2.415666403,2.223822658,0.351974571,1.310507965,1.237840702,0.460244303,0.014813012,0.068685864,0.029800248,1.81E-18,2.73E-56,8.65E-116,5.42E-197,6.59E-300,0,0,0,0,0,0,0,0,0,0,3.172288353,2.013163927,4.155745918,6.779082976,1.480240364,6.271784868,6.522478302,6.292183477,1.635878471,2.642843529,5.341828138,3.3510507,0.052071312,0.345758828,0.361764731,2.19E-17,3.31E-55,1.05E-114,6.58E-196,8.00E-299,0,0,0,0,0,0,0,0,0,0,1.341959663,2.013118754,1.631760126,3.733272938,1.034797616,3.012134749,3.133109784,2.9241476,0.538530914,1.512064526,1.907299596,0.816111022,0.021868751,0.109818132,0.064730121,3.93E-18,5.92E-56,1.88E-115,1.18E-196,1.43E-299,0,0,0,0,0,0,0,0,0,0,4.05857093,2.013198681,5.501841978,8.749924536,1.782067611,8.446049119,8.364499912,8.153712301,2.345091208,3.350671631,7.350397158,5.17467914,0.066850315,0.495727593,0.592155467,3.59E-17,5.42E-55,1.72E-114,1.08E-195,1.31E-298,0,0,0,0,0,0,0,0,0,0,1.793675739,1.676812758,1.92997002,3.940916116,1.515309543,3.528867054,3.429890763,3.750698753,0.905856532,1.664365861,2.350573837,1.340163533,0.039563261,0.140700259,0.097849688,5.94E-18,8.96E-56,2.84E-115,1.78E-196,2.16E-299,0,0,0,0,0,0,0,0,0,0,5.611599145,1.434783919,0.312595374,0.762551377,0.194970529,0.530872851,0.425776466,0.294592342,7.358978439,10.25409897,20.12991787,0.643827066,1.25124166,3.816332613,0.771815729,0.106314547,0.812943398,0.164409805,0.245581299,0.121891964,0.031052525,4.694462888,3.433292447,8.440905421,0.719415097,0.398525789,4.410949792,0.991096301,0.174958555,0.79091736,0.17771122,0.328042604,0.201844324,0.087721438,5.577004648,5.316810202,11.65867697,0.68637604,0.617608365,5.552952016,1.413094569,0.30589044,0.763613876,0.194321618,0.519836679,0.412893299,0.281576805,7.271937024,9.977693387,19.64990569,0.645420814,1.214306783,4.720068189,1.105241322,0.210486554,0.782012536,0.183114424,0.375618847,0.251499387,0.129060822,6.035796065,6.442963728,13.57682908,0.673018804,0.756179056,5.80157263,1.505049663,0.334305522,0.759275937,0.196972109,0.567417883,0.468881031,0.338817641,7.640927816,11.17429911,21.73426739,0.638913906,1.375116554,5.5715914,1.409701646,0.305612574,0.764603206,0.193456828,0.52326237,0.410969904,0.281388968,7.28690562,9.987852508,19.67512534,0.646904809,1.215621241 +UMLYSI0086,L,"1,2,3-trimethylbenzene",CC1=C(C(=CC=C1)C)C,aromatic,C9H12,526-73-8,10686,PubChem,,315.1,0,2.7426,7.52185476,43.8018,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1921.920348,1903.721747,1032.131188,248.409504,18.289152,0,0,4184.657049,5188.491512,7083.005766,7704.005434,6156.908624,2997.771428,559.5073998,0,0,148.486212,153.276228,257.716848,281.441036,340.543696,329.671296,120.932352,0,0,30.43545486,38.46263172,54.17148079,60.51927787,55.4690298,33.38218473,8.003032287,0,0,3360.161029,2978.619777,5482.629357,5745.759462,7467.135254,8303.73542,3328.517736,0,0,44.33333333,54.22222222,76.77777778,89.33333333,94,66,18,0,0,62.40808843,68.74581643,53.38667633,48.81337813,21.50273308,5.175198,1.016064,0,0,199.2693833,247.0710244,196.7501602,197.5386009,128.2689297,62.45357141,31.08374443,0,0,7.070772,7.298868,7.158801333,7.216436821,7.094660333,6.868152,6.718464,0,0,1.449307374,1.831553891,1.504763355,1.551776356,1.155604788,0.695462182,0.444612905,0,0,160.0076681,141.839037,152.2952599,147.3271657,155.5653178,172.9944879,184.917652,0,0,2.111111111,2.582010582,2.132716049,2.290598291,1.958333333,1.375,1,0,0,0.040175925,0.001528222,0.003180759,-0.016421178,-0.036545608,0.00575496,0.022414883,0,0,622.6251891,4.19E-13,229.7783436,-291.5467156,-783.2229562,133.4196834,400.2590502,0,0,1157.798126,-1.14E-13,427.2826418,-542.1435671,-1456.436532,248.0995985,744.2987955,0,0,0.121968,1.86E-15,0.045012,-0.057112,-0.153428,0.026136,0.078408,0,0,5.175896322,9.60E-15,1.910152214,-2.423633992,-6.510948945,1.10912064,3.327361921,0,0,28.11555097,4.22E-14,10.37597714,-13.16521831,-35.367578,6.024760922,18.07428277,0,0,4.285714286,-1.015873016,1.811791383,-0.62585034,-5.034013605,0.108843537,2.612244898,0,0,0.001913139,7.28E-05,8.84E-05,-4.21E-04,-7.61E-04,1.20E-04,0.001245271,0,0,29.64881853,2.00E-14,6.382731767,-7.475556809,-16.31714492,2.779576737,22.2366139,0,0,55.13324411,-5.41E-15,11.86896227,-13.9011171,-30.34242775,5.168741635,41.34993308,0,0,0.005808,8.85E-17,0.001250333,-0.00146441,-0.003196417,5.44E-04,0.004356,0,0,0.246471253,4.57E-16,0.053059784,-0.062144461,-0.13564477,0.02310668,0.18485344,0,0,1.33883576,2.01E-15,0.288221587,-0.3375697,-0.736824542,0.125515853,1.00412682,0,0,0.204081633,-0.048374906,0.050327538,-0.016047445,-0.104875283,0.002267574,0.145124717,0,0,0.038038258,0.046182946,-0.220086355,-0.397967276,0.06266925,0.650904646,0,0,6.73E-16,0.215277778,-0.252136752,-0.550347222,0.09375,0.75,0,0,-9.82E-17,0.215277778,-0.252136752,-0.550347222,0.09375,0.75,0,0,1.52E-14,0.215277778,-0.252136752,-0.550347222,0.09375,0.75,0,0,1.86E-15,0.215277778,-0.252136752,-0.550347222,0.09375,0.75,0,0,1.50E-15,0.215277778,-0.252136752,-0.550347222,0.09375,0.75,0,0,-0.237037037,0.246604938,-0.078632479,-0.513888889,0.011111111,0.711111111,0,0,1.010128376,0.92975357,1.330977265,1.37188559,0.727926988,0.145392138,0,0,1.111111111,0.810185185,1.296296296,1.498842593,0.729166667,0,0,0,1.111111111,0.810185185,1.296296296,1.498842593,0.729166667,0,0,0,1.111111111,0.810185185,1.296296296,1.498842593,0.729166667,0,0,0,1.111111111,0.810185185,1.296296296,1.498842593,0.729166667,0,0,0,1.111111111,0.810185185,1.296296296,1.498842593,0.729166667,0,0,0,1.395061728,0.633744856,1.056980057,1.555555556,0.875,0,0,0,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,28.93825364,14.46912682,19.38398103,28.93825364,3.215361515,14.46912905,-5.33E-15,2.77E-17,3.07E-18,-34.31346783,5000011.018,555556.7798,13.88245561,33.20712428,16.19341682,22.14275614,33.18490205,3.687211339,16.19341724,-0.066666667,8.89E-17,9.87E-18,-33.26341335,5000010.682,555556.7425,13.88245555,0,11.85,12.15009716,-0.20991491,0.090205492,6.23875,8.758384778,9,21,18,15,3,3,0,0,0,6,13.118484,3.837367081,2.978981869,2.895422064,2.505534111,2.024738679,1.747803013,0.758189562,0.441365589,2.009891347,1.493916978,1.412097968,1.300321342,0.783323018,0.504273083,0.182039807,0.083923071,3.847131707,3.0085188,2.924654716,2.56616622,2.082600027,1.811386711,0.882494449,0.545672476,1.980075811,1.412300855,1.328237853,1.199849988,0.682662645,0.411135567,0.028878977,0.270913902,3.892686795,3.149926772,3.064662777,2.822720652,2.324156623,2.066152029,1.384071661,0.963720007,1.902365083,1.180117151,1.094655717,0.87156837,0.369849397,0.112224304,0.526193268,0.943918427,3.854454913,3.030937363,2.946831905,2.610375339,2.124567978,1.856928308,0.97215515,0.621114151,1.962054508,1.360731895,1.2757869,1.132925399,0.617333107,0.350539445,0.077669619,0.399277246,3.916684571,3.224500232,3.138866256,2.940349198,2.434292052,2.176025562,1.59693027,1.207644823,1.880701512,1.11246322,1.027514451,0.759509312,0.264988018,0.005459046,0.734907754,1.133948601,3.838651519,3.055466305,2.993656732,2.688847821,2.193688616,1.880015497,1.071558134,0.657550841,1.971239809,1.3069968,1.20234035,1.040006601,0.540885432,0.325476185,0.1839803,0.529411765,0,0,0,3,3,3,0,0,0,0,0,0,0.068041382,0.204124145,0,0,0,0.024056261,0.072168784,0.663854611,0,0.272165527,0,0.413675135,0,0.144337567,0,1.733969088,1.979392051,2.190389772,0.994016936,0.968233513,0.904237747,6.853371151,4.215214055,3.744588185,3.114068787,1.848425766,1.072102901,0.526099421,0.136082763,0.761485683,0.468357117,0.312049015,0.222433485,0.142186597,0.089341908,0.07515706,0.068041382,6.232050808,3.244016936,2.516808827,1.875462792,0.897791891,0.42012099,0.19245009,0.048112522,0.69245009,0.360446326,0.209734069,0.133961628,0.069060915,0.035010083,0.02749287,0.024056261,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,1.77066,37.362,36.67290345,48.67889424,73.3458069,8.1495341,36.67290345,0.016616204,0.001846245,-3.687639223,421.5163183,46.83514647,5.439472642,63,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.56018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.201944444,0,0,0,0,1.201944444,0,0,0,0,0,0,0,0,6.439814815,0,0,0,0,6.377314815,0,0,0,0,4.18287037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.384259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0,0,0,0,0.396597222,0,0,0,0,0,0,0,0,2.141203704,0,0,0,0,2.094907407,0,0,0,0,1.384259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.141203704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40875,0,0,0,0,0.40875,0,0,0,0,0,0,0,0,2.157407407,0,0,0,0,2.141203704,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17,1.888888889,0.40875,2.157407407,0.131944444,1.384259259,5.525391204,0.282407407,0.157407407,1.634259259,0.282407407,0.157407407,1.634259259,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.33333,0.33333,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.86262,0.6514,10.4931,4.63048,0.5145,2.06158,0.22906,4.21519,2.15362,0.23929,0.19881,0.02209,0.28481,0.03165,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.128085279,2.390455517,2.652825755,3.236857303,3.332095399,20.68979086,44.68979086,50.19956586,55.70934087,67.97400337,69.97400337,0.224307135,0.484501705,0.544235602,0.6039695,0.736936107,0.758618988,3.407089287,2.264232144,2.001861906,1.739491667,1.155460119,1.060222024,0.214882485,0.464144533,0.521368608,0.578592683,0.70597247,0.726744308,6.75154531,15.36999611,18.51843897,20.22487205,21.86034747,20.909457,33.82580122,27.57483228,23.40077103,20.96590197,18.95755632,19.8604161,7.111111111,2.722222222,1.469387755,0,6,0,2.45,1.1391,0.908560296,2.9826782,5.181129588,0,2.381101578,4.585756412,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.1,0.505,0.68,4.372,12,14,13,12,7,2,0,0,0,78,2.564949357,3.157000421,3.630985476,3.986666548,4.342993404,3.944006051,2.784239339,0,0,0,5.619947865,3.524038462,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,4,0.333333333,2,1.555555556,0.6875,0.333333333,0,0,0,0,0,0,0.222222222,0.12962963,0.0625,0.083333333,0,0,0,0,0,0,0.497685185,18.64904007,25.47746719,37.29808014,4.144231127,18.6490401,3.10E-16,3.44E-17,-32.13980727,5000010.414,555556.7126,13.8824555,0,133.0544855,4.169925001,3.761200116,4.553876892,5.370638028,6.180016654,7.00033446,7.812378206,8.633552993,9.446123704,10.26747073,81.02559178,2.944438979,0,4.204692619,0,5.686975356,0,7.263329617,0,8.876125585,9.101863896,120.0939004,5.718757161,17.38253322,1.931392579,0,0,0,82,11,3.258,42,1.233300178,2.143629399,3.063002194,3.808373416,4.417137531,5.753812093,0,0,0,0,94.09564805,126.5087169,157.9266193,89.31497623,25.3200399,5.846241331,0,0,0,0,326.4685465,454.4984762,626.4631208,511.2230101,294.4239129,178.8500246,0,0,0,0,9.031490446,15.41305122,22.14189658,27.0767591,30.42612504,38.65677941,0,0,0,0,2.376896686,3.42021181,4.875732059,4.544322797,3.220350611,2.558219109,0,0,0,0,173.0750978,321.7322639,448.6912616,588.21507,757.0868878,1063.981422,0,0,0,0,3.280371767,4.776662573,7.164991882,7.631929236,6.295408236,5.753812093,0,0,0,0,0.489174207,0.709316992,1.015997098,0.968355347,0.710764932,0.589190358,0,0,0,0,254.4920433,110.8849962,9.44053182,77.6152718,-33.81783181,-3.902316437,176.8767715,144.702828,13.34284826,0.766294603,0.333883029,0.028426148,0.233705397,-0.101828024,-0.011750167,84.51866921,36.82571836,3.135269676,25.77659953,-11.23114932,-1.295987835,0.142361419,0.140564756,3.051697076,2.006939697,332.1073151,0,1,0,669.1530565,25.8679929,8.746651482,786.0344264,28.03630551,9.22884154,1158.124561,34.0312292,10.50151017,1.235244112,1.224160314,482.4556763,279.7379979,212.8332245,1.724669798,2.266825011,1.314353051,4.00314027,3.785389562,6.367568618,0.682143545,3.591901278,4.850430554,5.427785225,10.56066725,1.977932278,2.609761682,6.982469158,7.876717891,1.700725624,4.391223125,0.767629302,0.345905161,8.48E-18,4.01E-56,3.66E-116,6.45E-198,2.19E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,0.301552992,3.877877027,0.276499361,5.321234982,0.82780655,0.396421178,0.663107901,0.489602562,0.997041428,0.109068737,0.005406637,0.002436238,5.98E-20,2.83E-58,2.58E-118,4.54E-200,1.54E-303,0,0,0,0,0,0,0,0,0,0,0,0,0,0.973183225,3.942865295,1.009891843,6.073821689,0.92661062,0.819257222,1.950593857,1.692783718,1.135318736,0.523050257,0.056340061,0.025387482,6.23E-19,2.95E-57,2.69E-117,4.73E-199,1.61E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390468513,4.743652807,4.999895799,10.12780668,1.859423868,2.464019617,6.594742595,7.316695969,1.655750519,3.966305454,0.683943999,0.308195271,7.56E-18,3.58E-56,3.26E-116,5.74E-198,1.95E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,1.434236324,4.027125715,1.607791717,6.684540998,1.034806185,1.118117934,2.835134239,2.609197612,1.23183316,0.943848059,0.122377745,0.055145003,1.35E-18,6.40E-57,5.84E-117,1.03E-198,3.49E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,4.337716138,5.299416509,7.139838129,12.29064341,2.471327857,3.161009041,8.419022337,10.0726122,1.86940103,6.149311993,1.11951467,0.504470169,1.24E-17,5.85E-56,5.34E-116,9.40E-198,3.19E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,2.013495495,3.921882412,2.165315677,7.18895007,1.265050046,1.490571804,3.867392014,3.757069258,1.466937654,1.515632024,0.215149283,0.096949197,2.38E-18,1.13E-56,1.03E-116,1.81E-198,6.14E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,3.643898517,2.627863448,0.238927834,0.559679332,0.403622892,0.529869491,0.464723405,0.28569781,6.510689799,11.07416622,19.87274957,0.444953336,1.280290706,2.287925025,1.7951278,0.042087086,0.554629679,0.435167737,0.210232933,0.21810798,0.008864786,4.125139911,4.278961612,8.576958145,0.484696124,0.437205698,2.762095888,2.086774543,0.110960615,0.556893141,0.420735006,0.305249995,0.293812422,0.061618265,4.959831045,6.301905028,11.90129879,0.466442219,0.660680681,3.603007457,2.602790081,0.232995348,0.559578095,0.40423572,0.518080885,0.455933108,0.271686373,6.438792887,10.82379403,19.44758749,0.445720723,1.245700366,2.998430678,2.231898201,0.14526694,0.557785737,0.415190851,0.359355222,0.335780414,0.105610195,5.375595819,7.451985906,13.79973598,0.459464882,0.80074583,3.774908158,2.708187774,0.257934075,0.559989817,0.40174688,0.568536402,0.493452435,0.332959227,6.741030007,11.89537147,21.27330282,0.442605045,1.394948063,3.604454833,2.606457169,0.232695238,0.559384627,0.4045028,0.518511265,0.457232283,0.270986915,6.44360724,10.84010679,19.46985254,0.44583114,1.246730464 +UMLYSI0087,L,(2-propenyl)-benzene,C=CCC1=CC=CC=C1,aromatic,C9H10,300-57-2,9309,UML,,310.9,0,2.2365,5.00193225,44.6375,22.50793,6,6,19,9,10,0,9,0,0,0,0,0,0,0,0,0,1308.537729,1419.447969,1662.600922,1416.490328,939.333869,598.313019,249.249337,41.401584,2.032128,4122.48956,4959.018279,6362.595601,6046.274113,4441.11192,3010.796674,1590.079788,499.6285713,62.16748886,135.049284,139.040964,216.959464,263.542112,239.323892,168.898476,118.229284,54.945216,13.436928,29.54622905,36.2355431,48.82202339,49.25253375,38.21010813,26.39967927,15.25415772,5.563697454,0.88922581,2990.325725,2672.374682,4393.984724,5709.269567,5456.066916,3850.317405,2831.115954,1383.955903,369.835304,48.02777778,55.16666667,73.66666667,79.33333333,67,51.5,32,12,2,68.87040679,74.70778784,55.42003073,38.28352238,27.62746674,24.92970913,14.66172571,5.175198,1.016064,216.9731347,261.0009621,212.08652,163.4128139,130.6209388,125.4498614,93.53410519,62.45357141,31.08374443,7.107857053,7.317945474,7.231982133,7.122759784,7.038938,7.0374365,6.954663765,6.868152,6.718464,1.555064687,1.907133847,1.62740078,1.331149561,1.12382671,1.099986636,0.897303395,0.695462182,0.444612905,157.3855645,140.651299,146.4661575,154.3045829,160.4725563,160.4298919,166.5362326,172.9944879,184.917652,2.527777778,2.903508772,2.455555556,2.144144144,1.970588235,2.145833333,1.882352941,1.5,1,0.068739837,-0.005161092,-0.03060296,-0.004323125,0.005390259,-0.006355469,-0.003657572,0.003770945,0.006569095,573.4705689,3.91E-13,-153.5962109,-148.2304044,-19.45104854,-74.45056509,9.390161363,45.27399229,54.32879074,1066.393011,-2.84E-14,-285.6187129,-275.6407666,-36.17005534,-138.4440049,17.46140603,84.18892192,101.0267063,0.112338947,9.37E-16,-0.030088443,-0.029037319,-0.003810327,-0.014584355,0.001839468,0.008868864,0.010642637,4.767272928,8.22E-15,-1.276848539,-1.232242476,-0.161696977,-0.618909117,0.078060609,0.376363652,0.451636383,25.89590221,5.55E-14,-6.935861527,-6.693560688,-0.878340543,-3.361924146,0.424026469,2.044413332,2.453295999,6.271929825,-0.919590643,-2.224684518,-1.434518313,1.628885811,-0.268928901,-0.314943059,-0.067713143,0.465527855,0.003617886,-2.72E-04,-0.001020099,-1.17E-04,1.59E-04,-2.65E-04,-2.15E-04,4.71E-04,0.003284548,30.18266152,2.06E-14,-5.119873695,-4.006227145,-0.572089663,-3.102106879,0.552362433,5.659249036,27.16439537,56.12594795,-1.50E-15,-9.520623763,-7.449750448,-1.063825157,-5.768500206,1.027141531,10.52361524,50.51335315,0.005912576,4.93E-17,-0.001002948,-7.85E-04,-1.12E-04,-6.08E-04,1.08E-04,0.001108608,0.005321319,0.250909101,4.32E-16,-0.042561618,-0.033303851,-0.004755793,-0.02578788,0.004591801,0.047045457,0.225818191,1.362942221,2.92E-15,-0.231195384,-0.180907046,-0.025833545,-0.140080173,0.024942733,0.255551667,1.226647999,0.33010157,-0.048399508,-0.074156151,-0.038770765,0.047908406,-0.011205371,-0.018526062,-0.008464143,0.232763927,-0.075081523,-0.281959856,-0.03229544,0.043820351,-0.07319501,-0.059468784,0.130288262,0.90786374,6.81E-16,-0.16962963,-0.132732733,-0.018954248,-0.102777778,0.018300654,0.1875,0.9,-2.67E-17,-0.16962963,-0.132732733,-0.018954248,-0.102777778,0.018300654,0.1875,0.9,8.34E-15,-0.16962963,-0.132732733,-0.018954248,-0.102777778,0.018300654,0.1875,0.9,1.72E-15,-0.16962963,-0.132732733,-0.018954248,-0.102777778,0.018300654,0.1875,0.9,2.14E-15,-0.16962963,-0.132732733,-0.018954248,-0.102777778,0.018300654,0.1875,0.9,-0.146620047,-0.224646465,-0.117451017,0.145132319,-0.033945221,-0.056122309,-0.025641026,0.705128205,1.071530675,1.177759696,0.899874365,0.846686059,1.127783519,1.124376095,0.878124806,0.009626125,1,1.14,1.078378378,0.95,1.029166667,0.894117647,0.7125,0,1,1.14,1.078378378,0.95,1.029166667,0.894117647,0.7125,0,1,1.14,1.078378378,0.95,1.029166667,0.894117647,0.7125,0,1,1.14,1.078378378,0.95,1.029166667,0.894117647,0.7125,0,1,1.14,1.078378378,0.95,1.029166667,0.894117647,0.7125,0,1.208391608,1.00979021,0.958797959,0.678794735,1.210751748,1.266145619,1.076223776,0,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,33.07380107,16.53690053,25.84286027,33.07380107,3.674866785,16.53690085,-3.55E-15,0.233489178,0.025943242,-1.309157593,46.26850301,5.140944778,3.451015304,42.42855265,20.93947997,33.716216,42.30951421,4.701057135,20.93947997,-0.285185185,0.297465968,0.033051774,-1.091209907,37.38254931,4.15361659,3.2590836,0,11.85,12.15009716,-0.209893471,0.090224319,5.318792434,8.528380906,9,19,15,12,2,4,1,0,0,7,10.93207,3.785508504,3.262401811,2.659969356,2.619181914,1.925846213,0.959727413,0.941428501,0.744727258,1.981365574,1.643786832,1.141766734,1.082250302,0.778814321,0.356428861,0.310513972,0.232278944,3.797457395,3.286728087,2.686019585,2.645815032,1.988626361,1.079054691,1.053336623,0.872930974,1.949605717,1.585656155,1.060330712,1.007167592,0.667974583,0.196589796,0.150156259,0.064327708,3.851724481,3.39635421,2.812285422,2.771820215,2.260007251,1.560301238,1.517793787,1.389197011,1.862951357,1.418726352,0.839786049,0.798620231,0.312366743,0.352943724,0.396843083,0.518143877,3.806343921,3.304797075,2.705833948,2.665925019,2.034803841,1.16494069,1.134811365,0.965217967,1.930031842,1.548962927,1.009894615,0.960278991,0.594846724,0.088455115,0.041902902,0.049661526,3.87937647,3.451193644,2.88066792,2.838078588,2.386331092,1.766725721,1.721464227,1.60937037,1.837677693,1.368183706,0.778470925,0.738564276,0.192502856,0.554265436,0.594311107,0.73341648,3.770537103,3.428746661,2.71924511,2.674482089,2.051728856,1.24906029,1.195162774,1.027993705,1.968035766,1.495715701,0.942895994,0.933669113,0.554010772,0.00307107,0.036501315,0.13113769,0,0,1,6,1,0,1,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.65464793,0.637136847,0.204124145,0.244531073,0.191638319,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,5.378315178,3.080733574,1.978397839,1.22286449,0.780760001,0.445809975,0.146277398,0.058264155,0.597590575,0.34230373,0.197839784,0.111169499,0.065063333,0.037150831,0.024379566,0.014566039,11.70913902,18.43918427,17.62745098,17.8,12.99277246,142.1120539,0.616270475,0.970483383,0.927760578,0.936842105,0.683830129,7.479581784,2.34129,40.073,37.50463196,54.26687178,75.00926391,8.334362657,37.50463196,0.136437528,0.015159725,-1.792699594,35.3218919,3.924654656,3.208052645,81,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,5,0,0,1,0,7,0,0,0,0,0,0,0,0,0,1,1,0,1,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.19361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.3875,2.153194444,0,0,0.449583333,0,2.962916667,0,0,0,0,0,0,0,0,0,3.655963719,0.973055556,0,1.912037037,10.29922147,0,0,0,0,1.326388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.326388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.3875,0.422222222,0,0,0.449583333,0,0.3875,0,0,0,0,0,0,0,0,0,3.655963719,0.973055556,0,1.912037037,2.02042517,0,0,0,0,1.326388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.655963719,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0.3875,0.44,0,0,0.449583333,0,0.44,0,0,0,0,0,0,0,0,0,3.655963719,0.973055556,0,1.912037037,2.098888889,0,0,0,0,1.326388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.16666667,2.018518519,0.449583333,3.655963719,0.1875,0.973055556,5.511724607,0.526944444,0.655963719,1.91037037,0.526944444,0.655963719,1.91037037,4.5,0.5,0,0,0.48947,0.7,0.43333,0.43333,0.7,0.05614,0.05614,0,0,0.71429,0,0,0.11111,0.11111,0,11.5,1.27778,4.5,0.5,7,0.77778,2.5,0.27778,0,0,3.99002,0.44334,9.45555,5.46552,0.60728,1.88478,0.20942,4.43185,2.54706,0.28301,-0.01785,-0.00198,0.06815,0.00757,0.315789474,9,0,0,0,0,0,0,0.111111111,0.998000884,2.268472752,3.070847094,3.576617645,3.826874882,3.826874882,18.96201679,43.10098228,58.34609478,67.95573525,72.71062276,72.71062276,0.234938304,0.534018705,0.722904777,0.841967673,0.900880458,0.900880458,3.24992663,1.979454762,1.17708042,0.671309869,0.421052632,0.421052632,0.220622795,0.501479315,0.678855982,0.790664012,0.84598706,0.84598706,6.618775012,17.68782693,21.30512694,24.5657265,24.817942,24.817942,32.44785067,25.45838126,21.16220865,17.02910309,16.43842401,16.43842401,7.111111111,3.92,2.380165289,3,6,3,2.45,1.0961,0,2.085481947,0.333333333,0,9.563073858,4.445544946,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.156,0.16,0.593,0.791,4.311,10,11,12,12,6,4,2,0,0,75,2.63905733,3.020424886,3.425889994,3.884137802,4.282724121,3.684180933,3.595598464,3.446011397,0,0,5.690148283,3.9325,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.222222222,2,0.222222222,0,3,6,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.04,0,0,0,0,0.111111111,0.044444444,0.0234375,0.030222222,0.030092593,0.04,0,0,0,0,0.27930787,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,0,130.4180268,4.169925001,3.663561646,4.394449155,5.153291594,5.905361848,6.673297968,7.430707083,8.200562797,8.959440144,9.729669736,78.11034197,2.944438979,0,4.077537444,0,5.433722004,0,6.886531643,0,8.379997952,8.639410824,118.0782503,6.214644754,17.70058553,1.966731726,0,0,0,94,8,3.33,38,1.234384407,2.199485521,3.021962295,3.841739795,4.795809984,5.631663304,6.823369844,7.891858252,0,0,101.3289235,130.3824571,121.8330223,117.9230695,130.6964617,89.8042312,35.98668825,8.018633063,0,0,343.462572,487.6086729,512.7423441,535.883529,632.1279577,557.4891006,431.2303933,245.308505,0,0,9.062311056,15.94197313,21.57311859,27.12064441,33.81400411,39.27660755,46.88821296,53.02116556,0,0,2.469633901,3.698910925,4.142314705,4.526655884,5.457429068,5.271603385,4.786070569,3.508822022,0,0,171.802727,319.7942963,462.7398801,610.7971643,764.8818916,929.3463435,1178.472046,1459.343898,0,0,3.682106475,5.523120587,6.620866267,7.876871244,10.62566589,11.07458266,10.3534033,7.891858252,0,0,0.507053598,0.767340061,0.869811027,0.958915976,1.160095518,1.137905306,1.05916583,0.808126285,0,0,249.8685352,135.8724953,13.78947825,109.9759342,-59.80226598,-7.857726972,139.892601,195.6747613,21.64720522,0.694379257,0.377586727,0.038320662,0.305620743,-0.166189204,-0.021836453,89.91381046,48.89296599,4.962067482,39.57423167,-21.51951467,-2.827559593,0.114087926,0.188166619,2.869627232,4.710398785,359.8444694,0,1,0,685.4526174,26.18115004,8.817100947,784.0214766,28.00038351,9.220956781,1114.252481,33.38042062,10.36719347,2.139680182,2.139680182,585.5984553,519.1329616,109.9729061,1.128031735,5.324933898,4.720553273,4.140590823,4.557162436,7.912267499,0.736226788,3.442403505,2.942086905,4.360877271,9.779856507,3.936675562,4.345255588,2.951605387,7.067741441,4.642632662,4.814938657,1.157397363,0.611217223,0.666403773,0.416040123,0.654715896,1.00E-15,4.13E-52,3.30E-110,5.10E-190,1.52E-291,0,0,0,0,0,0,0,0,0,0,0.289017388,2.942043843,0.33122095,3.916771932,1.043520389,1.163021309,0.265384927,1.170937111,0.516843861,1.071927453,0.168419125,0.051597864,0.029924236,0.003644965,0.004611218,7.06E-18,2.91E-54,2.33E-112,3.59E-192,1.07E-293,0,0,0,0,0,0,0,0,0,0,0.932690722,2.942046922,1.091482971,4.493263288,1.333307376,1.751870912,0.775502742,2.068108481,1.130623272,1.535988715,0.369713883,0.165709778,0.113732815,0.032371349,0.048052443,7.36E-17,3.03E-53,2.42E-111,3.74E-191,1.11E-292,0,0,0,0,0,0,0,0,0,0,3.249355466,2.942082249,4.09215315,9.201484899,3.653157039,4.128963501,2.773644045,6.59831655,4.309260827,4.479675762,1.096648777,0.576915866,0.611126597,0.371176415,0.583340076,8.93E-16,3.68E-52,2.94E-110,4.54E-190,1.35E-291,0,0,0,0,0,0,0,0,0,0,1.374552287,2.942050731,1.631870269,5.073183236,1.621541204,2.17412443,1.137024125,2.774992352,1.619774952,1.943618672,0.508067682,0.244079163,0.184955928,0.068556034,0.104376326,1.60E-16,6.58E-53,5.27E-111,8.12E-191,2.42E-292,0,0,0,0,0,0,0,0,0,0,4.157173499,2.942106441,5.380856795,12.17046136,5.107228105,5.170474473,3.625858963,8.928920961,5.968694035,6.176755764,1.382553717,0.738267238,0.88959173,0.60442407,0.954841603,1.46E-15,6.02E-52,4.82E-110,7.43E-190,2.21E-291,0,0,0,0,0,0,0,0,0,0,1.79836366,2.254610588,2.03558746,5.033947587,1.869686818,2.320304126,1.617580705,3.149159246,2.004972061,2.719386709,0.64664148,0.310430196,0.244191593,0.106673987,0.160689467,2.46E-16,1.01E-52,8.11E-111,1.25E-190,3.72E-292,0,0,0,0,0,0,0,0,0,0,5.478788136,1.382040338,0.462242758,0.748154423,0.188724142,0.51782695,0.39368805,0.308351738,7.323071232,10.74327449,21.56640453,0.622231635,1.219866738,4.262891747,0.747061917,0.184194559,0.820710454,0.143827609,0.31303834,0.113768186,0.048736351,5.194148223,4.107450286,9.888192621,0.731065681,0.475542877,4.665117196,0.957031816,0.277141824,0.790792881,0.162228282,0.375028326,0.187436701,0.110887275,5.899290837,6.022798216,13.15943462,0.686189321,0.673352302,5.439005174,1.361260992,0.45325979,0.749842933,0.187668866,0.510303049,0.381820822,0.296548443,7.253525956,10.48619279,21.09561144,0.624764399,1.188672314,4.874432248,1.066355445,0.325073196,0.777934961,0.170184986,0.409536992,0.233170755,0.152700242,6.265860888,7.129068207,15.0846197,0.666902442,0.795407989,5.607678822,1.449359449,0.491307876,0.742901652,0.192010199,0.542586268,0.433395294,0.348068293,7.548346147,11.59472077,23.13619246,0.614352478,1.324049855,5.467914609,1.358011147,0.451826494,0.751319146,0.186597606,0.515668066,0.379893364,0.295099687,7.27775225,10.50962309,21.142408,0.62697872,1.190661116 +UMLYSI0088,L,"1,3,5-trimethylbenzene",CC1=CC(=CC(=C1)C)C,aromatic,C9H12,108-67-8,7947,PubChem,,310.9,0,2.7426,7.52185476,43.8018,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1921.920348,1661.589729,1141.170918,363.21264,36.578304,0,0,4184.657049,5188.491512,7083.005766,7253.750607,5603.328987,3442.098491,1119.0148,0,0,148.486212,153.276228,257.716848,281.393604,335.801112,213.52896,241.864704,0,0,30.43545486,38.46263172,54.17148079,58.5064293,49.45470151,33.4063293,16.00606457,0,0,3360.161029,2978.619777,5482.629357,5734.825636,7859.610331,4593.676431,6657.035473,0,0,44.33333333,54,78.33333333,90,80,60,36,0,0,62.40808843,68.74581643,53.38667633,42.60486485,23.77439412,12.107088,1.016064,0,0,199.2693833,247.0710244,196.7501602,185.9936053,116.7360206,114.7366164,31.08374443,0,0,7.070772,7.298868,7.158801333,7.215220615,6.9958565,7.117632,6.718464,0,0,1.449307374,1.831553891,1.504763355,1.500164854,1.030306281,1.11354431,0.444612905,0,0,160.0076681,141.839037,152.2952599,147.0468112,163.7418819,153.1225477,184.917652,0,0,2.111111111,2.571428571,2.175925926,2.307692308,1.666666667,2,1,0,0,0.040155602,0.002342023,0.005962364,-0.043375966,0.019847947,-0.041208049,0.03635388,0,0,622.6251891,3.91E-13,229.7783436,-533.6787336,81.53425096,-889.4645559,800.5181003,0,0,1157.798126,-1.14E-13,427.2826418,-992.3983939,151.6164213,-1653.997323,1488.597591,0,0,0.121968,1.86E-15,0.045012,-0.104544,0.015972,-0.17424,0.156816,0,0,5.175896322,9.60E-15,1.910152214,-4.436482562,0.677795947,-7.394137603,6.654723843,0,0,28.11555097,4.40E-14,10.37597714,-24.09904369,3.681798341,-40.16507281,36.14856553,0,0,4.285714286,-1.238095238,3.367346939,-5.482993197,3.06122449,-7.074829932,5.224489796,0,0,0.001912172,1.12E-04,1.66E-04,-0.001112204,4.13E-04,-0.001373602,0.00100983,0,0,29.64881853,1.86E-14,6.382731767,-13.68407009,1.698630228,-29.64881853,22.2366139,0,0,55.13324411,-5.41E-15,11.86896227,-25.44611267,3.158675444,-55.13324411,41.34993308,0,0,0.005808,8.88E-17,0.001250333,-0.002680615,3.33E-04,-0.005808,0.004356,0,0,0.246471253,4.57E-16,0.053059784,-0.113755963,0.014120749,-0.246471253,0.18485344,0,0,1.33883576,2.09E-15,0.288221587,-0.617924197,0.076704132,-1.33883576,1.00412682,0,0,0.204081633,-0.058956916,0.093537415,-0.140589569,0.06377551,-0.235827664,0.145124717,0,0,0.058323684,0.086614207,-0.581644603,0.216245713,-0.718346452,0.52810639,0,0,6.28E-16,0.215277778,-0.461538462,0.057291667,-1,0.75,0,0,-9.82E-17,0.215277778,-0.461538462,0.057291667,-1,0.75,0,0,1.53E-14,0.215277778,-0.461538462,0.057291667,-1,0.75,0,0,1.86E-15,0.215277778,-0.461538462,0.057291667,-1,0.75,0,0,1.56E-15,0.215277778,-0.461538462,0.057291667,-1,0.75,0,0,-0.288888889,0.458333333,-0.688888889,0.3125,-1.155555556,0.711111111,0,0,0.988654709,0.909607297,1.742568162,0.875330631,1.461474012,0.074226096,0,0,1.111111111,0.810185185,1.495726496,0.850694444,1.944444444,0,0,0,1.111111111,0.810185185,1.495726496,0.850694444,1.944444444,0,0,0,1.111111111,0.810185185,1.495726496,0.850694444,1.944444444,0,0,0,1.111111111,0.810185185,1.495726496,0.850694444,1.944444444,0,0,0,1.111111111,0.810185185,1.495726496,0.850694444,1.944444444,0,0,0,1.444444444,0.432098765,1.854700855,0.453703704,2.333333333,0,0,0,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,29.66522536,14.83261268,19.7474669,29.66522536,3.296136151,14.83261425,5.33E-15,1.73E-18,1.93E-19,-36.80611529,291.9079146,32.43421273,5.108794552,31.84632567,15.8898295,21.13524663,31.79447381,3.532719313,15.88983002,-0.066666667,3.33E-16,3.70E-17,-32.07436945,42.05922378,4.673247086,3.365170843,0,11.89,12.11013444,-0.154940595,0.065427332,6.0764172,8.135950041,9,21,18,15,3,3,0,0,0,6,13.118484,3.831659838,2.978981869,2.978981869,2.23863706,2.024738679,2.024738679,0.441365589,0.441365589,2.007621523,1.493916978,1.493916978,1.114523793,0.783323018,0.783323018,0.083923071,0.083923071,3.841767027,3.0085188,3.0085188,2.307509994,2.082600027,2.082600027,0.545672476,0.545672476,1.977512166,1.412300855,1.412300855,1.005637663,0.682662645,0.682662645,0.270913902,0.270913902,3.888629994,3.149926772,3.149926772,2.594323264,2.324156623,2.324156623,0.963720007,0.963720007,1.898531894,1.180117151,1.180117151,0.648152785,0.369849397,0.369849397,0.943918427,0.943918427,3.849331676,3.030937363,3.030937363,2.357458752,2.124567978,2.124567978,0.621114151,0.621114151,1.959268094,1.360731895,1.360731895,0.93313087,0.617333107,0.617333107,0.399277246,0.399277246,3.913152,3.224500232,3.224500232,2.723590331,2.434292052,2.434292052,1.207644823,1.207644823,1.876343207,1.11246322,1.11246322,0.52431895,0.264988018,0.264988018,1.133948601,1.133948601,3.838314638,3.055466305,3.055466305,2.442311884,2.193688616,2.193688616,0.657550841,0.657550841,1.960646187,1.3069968,1.3069968,0.839638827,0.540885432,0.540885432,0.529411765,0.529411765,0,0,0,3,3,3,0,0,0,0,0,0,0.068041382,0.204124145,0,0,0,0.024056261,0.072168784,0.866025404,0,0,0,0.5,0,0,0,1,1.995781916,1.747400241,0.5,0.913675135,0.683012702,6.853371151,4.18154055,4.022621928,2.414213562,2.349335306,0.98559856,0.696923425,0,0.761485683,0.464615617,0.335218494,0.201184464,0.156622354,0.082133213,0.077435936,0,6.232050808,3.232050808,2.665063509,1.366025404,1.202350269,0.394337567,0.269337567,0,0.69245009,0.359116756,0.222088626,0.11383545,0.080156685,0.032861464,0.029926396,0,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,1.77066,37.362,36.23240609,46.59629277,72.46481219,8.051645799,36.23240609,0,0,0,50.96615924,5.662906583,3.538045681,63,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.153333333,0,0,0,0,1.153333333,0,0,0,0,0,0,0,0,6.375,0,0,0,0,6.5625,0,0,0,0,4.0625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.354166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384444444,0,0,0,0,0.384444444,0,0,0,0,0,0,0,0,2.125,0,0,0,0,2.1875,0,0,0,0,1.354166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.1875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384444444,0,0,0,0,0.384444444,0,0,0,0,0,0,0,0,2.125,0,0,0,0,2.1875,0,0,0,0,1.354166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17,1.888888889,0.384444444,2.1875,0.15625,1.354166667,5.5286875,0.3125,0.1875,1.875,0.3125,0.1875,1.875,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.33333,0.33333,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.71523,0.63503,10.39611,4.68088,0.5201,2.05974,0.22886,4.18152,2.12178,0.23575,0.23248,0.02583,0.31848,0.03539,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.128085279,2.128085279,2.128085279,2.128085279,2.128085279,20.68979086,44.68979086,44.68979086,44.68979086,44.68979086,44.68979086,0.224307135,0.484501705,0.484501705,0.484501705,0.484501705,0.484501705,3.407089287,2.264232144,2.264232144,2.264232144,2.264232144,2.264232144,0.214882485,0.464144533,0.464144533,0.464144533,0.464144533,0.464144533,6.75154531,15.36999611,15.36999611,15.36999611,15.36999611,15.36999611,33.82580122,27.57483228,27.57483228,27.57483228,27.57483228,27.57483228,7.111111111,2.722222222,2,0,6,0,2.45,1.1391,0.75,3.571652367,4.326748711,0,1.5,6.240251469,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.1,0.505,0.68,4.372,12,12,15,12,9,0,0,0,0,78,2.564949357,3.157000421,3.548179572,4.066887716,4.342993404,4.123093976,0,0,0,0,5.606950304,3.478365385,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,4,0.333333333,3,0.666666667,0.9375,0.333333333,0,0,0,0,0,0,0.333333333,0.055555556,0.104166667,0.055555556,0,0,0,0,0,0,0.548611111,19.13022188,25.95864901,38.26044376,4.251160418,19.1302219,4.44E-16,4.93E-17,-31.81545559,34.85310704,3.872567448,3.196028059,0,133.0544855,4.169925001,3.761200116,4.510859507,5.351858133,6.11146734,6.957497371,7.719129841,8.566173814,9.328212293,10.17545936,80.48185778,2.944438979,0,4.204692619,0,5.645446898,0,7.181591945,0,8.760766624,8.995660899,120.0939004,5.718757161,17.38171618,1.931301798,0,0,0,84,9,3.258,42,1.233300178,2.143634968,3.067216359,3.776833311,5.127024075,5.718497301,0,0,0,0,94.09564805,126.6104696,139.9322291,105.4882059,62.07333166,5.810359242,0,0,0,0,326.4685465,454.7366992,592.1040208,491.8880052,588.2573945,177.7523086,0,0,0,0,9.031490446,15.41341623,22.16025386,26.56261715,36.49227062,38.41951825,0,0,0,0,2.376896686,3.421507076,4.718641822,4.22132494,5.709168486,2.542517696,0,0,0,0,173.0750978,321.7128589,449.180834,607.9603435,785.0629886,1057.451094,0,0,0,0,3.265286308,4.896798955,7.171554173,6.688641514,10.25404815,5.718497301,0,0,0,0,0.489174207,0.709566469,0.986985678,0.897048767,1.230485778,0.585574124,0,0,0,0,274.1143001,119.6860576,9.372117195,99.37773861,-43.39113188,-4.660144438,174.7365615,163.0771895,14.03226163,0.733922739,0.320451429,0.025093218,0.266077261,-0.116176859,-0.012477226,102.3795088,44.70178966,3.500411158,37.1167942,-16.20624231,-1.740526847,0.142643722,0.128028164,2.739035892,1.538051605,373.4920387,0,1,0,669.1530565,25.8679929,8.746651482,786.0344264,28.03630551,9.22884154,1134.665132,33.68479081,10.43011835,1.16066906,1.059964004,538.2183018,282.8358901,265.4963621,1.902934955,2.027215354,1.065309851,4.23758103,4.355172234,6.54925274,0.50378731,3.591901278,3.871162657,3.71050078,8.942055074,0.172544558,6.025544479,6.741029973,3.856699808,8.593259789,3.704356744,5.455509777,2.556234124,1.50E-09,5.54E-40,3.94E-92,5.41E-166,1.43E-261,0,0,0,0,0,0,0,0,0,0,0,0,0,0.301552992,3.870979963,0.274666938,5.369459264,0.014936667,0.296763751,0.643055458,0.280006755,2.345294522,0.151412689,0.044659248,0.018003766,1.06E-11,3.90E-42,2.77E-94,3.81E-168,1.01E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,0.973183225,3.870992572,0.91021939,5.961449222,0.047105475,0.769769305,1.884627296,0.931978508,3.435930635,0.593856828,0.416424133,0.187613122,1.10E-10,4.06E-41,2.89E-93,3.97E-167,1.05E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390468513,3.871142741,3.47689266,8.67478775,0.162895094,5.428483271,6.366600292,3.610105358,8.145420685,3.386807209,4.865054605,2.277558583,1.34E-09,4.93E-40,3.51E-92,4.82E-166,1.28E-261,0,0,0,0,0,0,0,0,0,0,0,0,0,1.434236324,3.871008556,1.36603603,6.40858503,0.069189042,1.301236704,2.737864155,1.402728426,4.239461407,0.981546319,0.889184373,0.407520771,2.39E-10,8.83E-41,6.28E-93,8.62E-167,2.28E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,4.337716138,3.871246314,4.601866512,9.986756879,0.208273113,8.515904588,8.128641743,4.801101969,10.32559865,4.993688609,7.936009344,3.72802723,2.19E-09,8.07E-40,5.75E-92,7.89E-166,2.09E-261,0,0,0,0,0,0,0,0,0,0,0,0,0,2.013498025,3.616537559,1.643321722,7.497545882,0.096902338,2.020948544,3.200401487,1.753694292,5.49480314,1.495126495,1.55178584,0.716453163,4.21E-10,1.55E-40,1.10E-92,1.52E-166,4.01E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,3.679997233,3.47222726,0.238917897,0.497892888,0.469782217,0.536899752,0.515760681,0.285728349,7.391142389,14.48658114,24.93056546,0.451512658,1.338388783,2.312861851,2.168451909,0.042080398,0.511311146,0.479386017,0.212133953,0.201296399,0.008863711,4.523394158,5.203905164,9.938346394,0.486045745,0.422294063,2.791198338,2.624652788,0.110952785,0.505029377,0.474895225,0.308917614,0.294817858,0.061621511,5.526803911,7.926830268,14.26646613,0.469886904,0.665356982,3.63879206,3.43293517,0.232985508,0.498143074,0.469961694,0.524946495,0.504162027,0.271715105,7.304712738,14.1393472,24.35445369,0.452157152,1.300823626,3.029468599,2.851881321,0.145258544,0.502682166,0.473214966,0.363893495,0.348031781,0.105618333,6.026608464,9.494001234,16.77559775,0.463845699,0.817543609,3.812009072,3.598109055,0.257923825,0.497129397,0.469234399,0.576101298,0.55380761,0.332995904,7.668041953,15.62727037,26.8330018,0.449545694,1.462904812,3.64022838,3.434249532,0.232685385,0.498172578,0.469983959,0.525360424,0.504546525,0.271015541,7.307163297,14.14758023,24.36364884,0.452234805,1.30092249 +UMLYSI0089,L,"1,2,4-trimethylbenzene",CC1=CC(=C(C=C1)C)C,aromatic,C9H12,95-63-6,7247,PubChem,,308.3,0,2.7426,7.52185476,43.8018,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1921.920348,1782.655738,965.585044,360.330937,84.835296,9.144576,0,4184.657049,5188.491512,7083.005766,7478.87802,5654.991392,2943.145141,1061.424631,279.7536999,0,148.486212,153.276228,257.716848,281.41732,338.148688,269.228836,123.32736,60.466176,0,30.43545486,38.46263172,54.17148079,59.51285358,51.45544137,30.38709287,12.01662072,4.001516144,0,3360.161029,2978.619777,5482.629357,5740.292549,7657.90588,6644.943464,3137.747111,1664.258868,0,44.33333333,54.11111111,77.44444444,90.44444444,87.33333333,56,24,9,0,62.40808843,68.74581643,53.38667633,45.70912149,20.11635508,9.239254795,4.713072,1.016064,0,199.2693833,247.0710244,196.7501602,191.7661031,117.8123207,75.46526003,58.96803508,31.08374443,0,7.070772,7.298868,7.158801333,7.215828718,7.044764333,6.903303487,6.85152,6.718464,0,1.449307374,1.831553891,1.504763355,1.525970605,1.071988362,0.779156227,0.66759004,0.444612905,0,160.0076681,141.839037,152.2952599,147.1869884,159.5397058,170.3831657,174.3192839,184.917652,0,2.111111111,2.576719577,2.151234568,2.319088319,1.819444444,1.435897436,1.333333333,1,0,0.040146768,0.001937395,0.00499964,-0.029010089,-0.021443503,0.0110004,0.005508478,0.006934296,0,622.6251891,3.91E-13,229.7783436,-412.6127246,-471.9103616,54.35616731,88.94645559,200.1295251,0,1157.798126,-1.14E-13,427.2826418,-767.2709805,-877.5374687,101.0776142,165.3997323,372.1493977,0,0.121968,1.86E-15,0.045012,-0.080828,-0.092444,0.010648,0.017424,0.039204,0,5.175896322,9.60E-15,1.910152214,-3.430058277,-3.923000784,0.451863965,0.73941376,1.663680961,0,28.11555097,4.22E-14,10.37597714,-18.632131,-21.30980252,2.454532227,4.016507281,9.037141383,0,4.285714286,-1.126984127,2.47845805,-2.276643991,-3.414965986,0.56462585,0.326530612,1.306122449,0,0.001911751,9.23E-05,1.39E-04,-7.44E-04,-4.47E-04,2.82E-04,3.06E-04,7.70E-04,0,29.64881853,1.86E-14,6.382731767,-10.57981345,-9.831465867,1.39374788,4.941469755,22.2366139,0,55.13324411,-5.41E-15,11.86896227,-19.67361488,-18.2820306,2.591733697,9.188874018,41.34993308,0,0.005808,8.88E-17,0.001250333,-0.002072513,-0.001925917,2.73E-04,9.68E-04,0.004356,0,0.246471253,4.57E-16,0.053059784,-0.087950212,-0.081729183,0.011586256,0.041078542,0.18485344,0,1.33883576,2.01E-15,0.288221587,-0.477746949,-0.443954219,0.062936724,0.223139293,1.00412682,0,0.204081633,-0.053665911,0.068846057,-0.058375487,-0.071145125,0.014477586,0.01814059,0.145124717,0,0.0482578,0.072644874,-0.389092774,-0.233680895,0.14754095,0.160076587,0.403021805,0,6.28E-16,0.215277778,-0.356837607,-0.331597222,0.047008547,0.166666667,0.75,0,-9.82E-17,0.215277778,-0.356837607,-0.331597222,0.047008547,0.166666667,0.75,0,1.53E-14,0.215277778,-0.356837607,-0.331597222,0.047008547,0.166666667,0.75,0,1.86E-15,0.215277778,-0.356837607,-0.331597222,0.047008547,0.166666667,0.75,0,1.50E-15,0.215277778,-0.356837607,-0.331597222,0.047008547,0.166666667,0.75,0,-0.262962963,0.337345679,-0.286039886,-0.348611111,0.070940171,0.088888889,0.711111111,0,0.99910729,0.914416065,1.535210358,1.278402195,0.697669819,0.425229786,1.66E-08,0,1.111111111,0.810185185,1.396011396,1.255787037,0.797720798,0.648148148,0,0,1.111111111,0.810185185,1.396011396,1.255787037,0.797720798,0.648148148,0,0,1.111111111,0.810185185,1.396011396,1.255787037,0.797720798,0.648148148,0,0,1.111111111,0.810185185,1.396011396,1.255787037,0.797720798,0.648148148,0,0,1.111111111,0.810185185,1.396011396,1.255787037,0.797720798,0.648148148,0,0,1.419753086,0.547325103,1.362773029,1.328703704,0.757834758,0.777777778,0,0,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,1.24E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,1.24E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,1.24E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,1.24E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,1.24E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,29.7112871,14.85564355,20.7152678,29.7112871,3.301254122,14.85564508,1.24E-14,0.002104183,2.34E-04,-5.547445182,43.24701142,4.805223491,3.390235318,32.38658668,16.15996001,22.53098671,32.33569689,3.59285521,16.15996041,-0.066666667,0.027970247,0.003107805,-3.218952539,47.3101853,5.256687255,3.471053046,0,11.85,12.15009716,-0.20845674,0.091650207,6.003955088,8.444013817,9,21,18,15,3,3,0,0,0,6,13.118484,3.833589318,3.056199074,2.831353951,2.417531953,2.136657421,1.730798785,0.76152284,0.330767393,2.008386927,1.532771074,1.41393354,1.195172722,0.897448804,0.526978276,0.020190969,0.083923071,3.843579971,3.083097614,2.86448923,2.476130793,2.198065434,1.792413519,0.873268248,0.456529511,1.978376491,1.455937329,1.322713195,1.094263321,0.801768394,0.417858969,0.10882679,0.270913902,3.889998998,3.21242987,3.024775228,2.724355126,2.448862671,2.044692629,1.326296579,0.95686777,1.89982516,1.240191848,1.059204514,0.771773068,0.495133778,0.091785634,0.593145692,0.943918427,3.851062547,3.103536082,2.889733747,2.518859121,2.242317085,1.83679047,0.954147239,0.547444914,1.960207534,1.407658425,1.264613753,1.027756549,0.739035505,0.348439505,0.199483539,0.399277246,3.914343526,3.281118172,3.109835287,2.838709742,2.559713213,2.158140105,1.516634173,1.207644823,1.877814409,1.17806021,0.982111373,0.663101833,0.388360527,0.016486101,0.780989778,1.159347194,3.838427226,3.11384971,2.939269672,2.601631839,2.318332939,1.869086755,1.026739527,0.613605714,1.964267489,1.365753417,1.19039519,0.933165298,0.658300466,0.301207513,0.268616579,0.529411765,0,0,0,3,3,3,0,0,0,0,0,0,0.068041382,0.204124145,0,0,0,0.024056261,0.072168784,0.760079655,0,0.166666667,0,0.455341801,0,0.083333333,0,1.478278096,1.558028605,2.075933094,0.790402296,0.711787657,0.838514819,6.853371151,4.198377303,3.872792013,2.860366219,1.816762979,1.33160016,0.504473335,0.068041382,0.761485683,0.466486367,0.322732668,0.220028171,0.139750998,0.095114297,0.072067619,0.068041382,6.232050808,3.238033872,2.58771324,1.662410764,0.891346035,0.562731396,0.186004234,0.024056261,0.69245009,0.359781541,0.21564277,0.127877751,0.06856508,0.0401951,0.026572033,0.024056261,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,1.77066,37.362,36.24670713,48.23696276,72.49341426,8.054823807,36.24670713,0.034470015,0.003830002,-3.030898907,80.37277837,8.930308707,3.948007987,67,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,3,0,0,0,0,3,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.60759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.166388889,0,0,0,0,1.166388889,0,0,0,0,0,0,0,0,6.392407407,0,0,0,0,6.502314815,0,0,0,0,4.105277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.345462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.378819444,0,0,0,0,0.378819444,0,0,0,0,0,0,0,0,2.1175,0,0,0,0,2.141203704,0,0,0,0,1.345462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.203703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0,0,0,0,0.396597222,0,0,0,0,0,0,0,0,2.141203704,0,0,0,0,2.203703704,0,0,0,0,1.384259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17,1.888888889,0.396597222,2.203703704,0.144097222,1.345462963,5.526767685,0.321203704,0.203703704,1.789444444,0.321203704,0.203703704,1.789444444,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.33333,0.33333,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.74382,0.6382,10.41343,4.66961,0.51885,2.06066,0.22896,4.19836,2.1377,0.23752,0.21564,0.02396,0.30164,0.03352,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.128085279,2.390455517,2.843301946,3.236857303,3.522571589,20.68979086,44.68979086,50.19956586,59.70934087,67.97400337,73.97400337,0.224307135,0.484501705,0.544235602,0.647335261,0.736936107,0.80198475,3.407089287,2.264232144,2.001861906,1.549015477,1.155460119,0.869745834,0.214882485,0.464144533,0.521368608,0.620136358,0.70597247,0.768287982,6.75154531,15.36999611,18.51843897,22.51058634,21.86034747,22.14829748,33.82580122,27.57483228,23.40077103,18.23182491,18.95755632,18.26553782,7.111111111,2.722222222,1.704142012,0,6,0,2.45,1.1391,0.766309432,3.479380736,4.441492163,0,1.650963624,5.853800636,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.1,0.505,0.68,4.372,12,13,13,14,7,1,0,0,0,78,2.564949357,3.157000421,3.590439381,3.986666548,4.427089623,3.944006051,2.151035195,0,0,0,5.611415875,3.493990385,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,5,0.666666667,2.5,1.333333333,0.5625,0.413333333,0,0,0,0,0,0,0.277777778,0.111111111,0.05625,0.103333333,0,0,0,0,0,0,0.548472222,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,0,133.0544855,4.169925001,3.761200116,4.532599493,5.351858133,6.146329258,6.963189986,7.764296006,8.579416535,9.382695764,10.19694044,80.67852573,2.944438979,0,4.204692619,0,5.666426688,0,7.217443432,0,8.806723555,9.038602609,120.0939004,5.718757161,17.38201719,1.931335244,0,0,0,84,10,3.258,42,1.233300178,2.143608143,3.065976102,3.792069948,4.631604102,5.883400279,6.552566751,0,0,0,94.09564805,126.607284,148.7991516,84.81547788,48.19408984,28.60812362,6.657827183,0,0,0,326.4685465,454.7269372,609.1090586,476.9160855,371.8126972,353.564087,203.6783102,0,0,0,9.031490446,15.41321615,22.1571405,26.80595817,32.05154208,40.34187849,44.02318382,0,0,0,2.376896686,3.421440939,4.796870299,4.266804385,3.765674569,3.980728577,2.913355737,0,0,0,173.0750978,321.7093214,449.068676,598.0455883,783.1178895,1023.069585,1211.685258,0,0,0,3.27231619,4.830695192,7.247086387,7.148033429,6.870405352,7.923808126,6.552566751,0,0,0,0.489174207,0.70955305,1.00146107,0.911091454,0.822064925,0.883220308,0.670982835,0,0,0,286.7017456,125.0549918,10.16448182,105.4158797,-45.98082212,-5.029564369,181.2858659,171.0358139,15.19404619,0.731162608,0.318922139,0.025922022,0.268837392,-0.117262829,-0.012826673,112.4208076,49.03626639,3.985672473,41.33542441,-18.02989078,-1.972180837,0.142807103,0.134284561,2.742173126,1.461181649,392.1176253,0,1,0,669.1530565,25.8679929,8.746651482,786.0344264,28.03630551,9.22884154,1145.15277,33.84010594,10.46215482,1.505113381,1.505113381,524.3757495,373.1769387,161.3126645,1.405166545,3.250679363,2.313376571,4.066590112,4.288153178,6.664765497,0.554227478,3.591901278,3.871162657,5.313765476,9.312772647,0.353180733,5.570287741,6.982724887,7.502513732,2.03066848,4.9821562,2.215501965,2.185137681,2.73E-05,7.61E-31,4.94E-78,6.44E-147,1.67E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,0.301552992,3.870979963,0.284910775,5.68126717,0.073074894,0.364456579,0.664797188,0.501953851,0.999313971,0.154213265,0.127311145,0.015390727,1.93E-07,5.36E-33,3.48E-80,4.54E-149,1.17E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0.973183225,3.870992572,1.025197217,6.267727015,0.127630286,0.980862862,1.953304168,1.703826651,1.159402949,0.602454007,0.449552859,0.160378346,2.01E-06,5.58E-32,3.62E-79,4.73E-148,1.22E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390468513,3.871142741,4.904650973,9.035688597,0.33510592,5.093734458,6.595550809,6.993607299,1.94968836,4.496533389,2.050871762,1.946918764,2.44E-05,6.78E-31,4.40E-78,5.74E-147,1.48E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,1.434236324,3.871008556,1.618362329,6.716278967,0.165858838,1.536496874,2.838155404,2.596302586,1.284273456,1.069676486,0.701642204,0.348361663,4.36E-06,1.21E-31,7.87E-79,1.03E-147,2.65E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.337716138,3.871246314,6.943495949,10.40087272,0.42115609,7.513983717,8.416704801,9.477982019,2.350758909,6.995997296,2.866828805,3.186815911,3.99E-05,1.11E-30,7.20E-78,9.39E-147,2.43E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,2.013498659,3.61819004,2.147023201,7.480305617,0.210014946,2.256941076,3.858667627,3.652083108,1.55922037,1.712177452,1.028112882,0.612445708,7.66E-06,2.13E-31,1.38E-78,1.81E-147,4.67E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.772263901,2.162641999,0.238916037,0.665233113,0.301463016,0.576716135,0.509850776,0.285726465,7.173821937,11.97755858,21.61716086,0.49784967,1.372293375,3.073718742,1.308343756,0.042080352,0.694760284,0.29572819,0.24028369,0.188008053,0.008863758,4.42414285,4.205879457,8.799247632,0.542140426,0.437155501,3.667884933,1.607403796,0.110952113,0.680973065,0.298427761,0.341476762,0.282881992,0.061621273,5.386240842,6.481076596,12.52146582,0.521459597,0.685980027,4.721057359,2.136909651,0.232983704,0.665786232,0.301357284,0.564453132,0.497873027,0.271713329,7.090950714,11.68626759,21.12766812,0.498679348,1.334039487,3.963911904,1.756298293,0.145257555,0.67580491,0.299430219,0.398517007,0.337266739,0.105617794,5.865467752,7.792715459,14.66943896,0.513707364,0.841401541,4.936321293,2.245078083,0.257921787,0.663544588,0.301785342,0.616892616,0.549177119,0.332993654,7.439321164,12.93466611,23.23238659,0.495316881,1.499063389,4.722938311,2.138393595,0.232683581,0.665763744,0.301436274,0.564920685,0.49859592,0.27101375,7.094015488,11.69602031,21.14002387,0.498645616,1.334530356 +UMLYSI0090,L,n-dodecylbenzene,CCCCCCCCCCCCC1=CC=CC=C1,aromatic,C18H30,123-01-3,31237,PubChem,,304.1,0,-1.5585,2.42892225,69.6158,51.68379,6,6,48,18,30,0,18,0,0,0,0,0,0,0,0,0,2627.236098,2959.966818,3445.347211,3217.611449,2748.497822,2529.559045,2332.802316,2136.045587,1939.288858,8555.816564,11065.40272,15021.98069,15523.43492,13908.67436,12734.57027,11727.77193,10720.97358,9714.175239,337.283208,349.258248,643.033324,884.05226,840.077816,776.39458,713.50968,650.62478,587.73988,63.53858715,83.6065293,122.6857063,135.3410595,123.6337266,113.2743349,104.2528061,95.23127721,86.20974835,7829.82797,6875.974841,13725.92511,20435.61697,19595.86626,18180.50131,16701.54616,15222.591,13743.63585,81.52777778,99.66666667,159.5833333,193,177.75,163.3333333,151.0833333,138.8333333,126.5833333,54.73408537,61.66597538,38.28163568,25.5365988,22.90414852,22.78882023,22.87061094,22.96823212,23.08677212,178.2461784,230.5292234,166.9108965,123.2018644,115.9056197,114.7258583,114.9781562,115.2792858,115.6449433,7.0267335,7.2762135,7.144814711,7.016287778,7.000648467,6.994545766,6.995192941,6.995965376,6.996903333,1.323720566,1.741802694,1.363174515,1.074135393,1.030281055,1.020489504,1.022086334,1.023992228,1.026306528,163.121416,143.2494759,152.510279,162.1874363,163.2988855,163.7883001,163.7406486,163.6837742,163.6147125,1.69849537,2.076388889,1.773148148,1.531746032,1.48125,1.471471471,1.48120915,1.492831541,1.506944444,0.090322011,-0.001062082,-0.038542515,-0.011845503,-0.004270619,0.006789504,8.95E-04,5.83E-05,-4.32E-07,1361.992601,-1.95E-12,-480.4807232,-18.91656391,-75.66625562,13.24159473,11.34993834,9.458281953,7.566625563,2532.683401,-2.63E-12,-893.4744221,-35.17615835,-140.7046334,24.62331084,21.10569501,17.58807917,14.07046334,0.266805,2.07E-15,-0.094122875,-0.003705625,-0.0148225,0.002593937,0.002223375,0.001852812,0.00148225,11.3222732,2.28E-14,-3.99424638,-0.157253795,-0.629015178,0.110077656,0.094352277,0.078626897,0.062901518,61.50276775,-8.41E-13,-21.69680973,-0.854205108,-3.41682043,0.597943575,0.512523065,0.427102554,0.341682043,6.110532407,0.851273148,-0.051576968,0.513671875,-0.556423611,-0.075050637,-0.142867477,-0.210684317,-0.278501157,0.001881709,-2.21E-05,-4.28E-04,-9.40E-05,-3.56E-05,6.12E-05,8.77E-06,6.27E-07,-5.14E-09,28.37484586,-4.07E-14,-5.338674702,-0.15013146,-0.63055213,0.119293646,0.111273905,0.101701956,0.090078876,52.76423752,-5.48E-14,-9.927493579,-0.27917586,-1.172538612,0.221831629,0.206918579,0.189119131,0.167505516,0.005558437,4.31E-17,-0.00104581,-2.94E-05,-1.24E-04,2.34E-05,2.18E-05,1.99E-05,1.76E-05,0.235880692,4.75E-16,-0.044380515,-0.001248046,-0.005241793,9.92E-04,9.25E-04,8.45E-04,7.49E-04,1.281307661,-1.75E-14,-0.241075664,-0.006779406,-0.028473504,0.005386879,0.005024736,0.004592501,0.004067643,0.127302758,0.017734857,-5.73E-04,0.004076761,-0.004636863,-6.76E-04,-0.001400662,-0.002265423,-0.00331549,-0.011758839,-0.227585811,-0.04996094,-0.018912859,0.032505941,0.004662843,3.33E-04,-2.73E-06,-1.43E-15,-0.188148148,-0.005291005,-0.022222222,0.004204204,0.003921569,0.003584229,0.003174603,-1.04E-15,-0.188148148,-0.005291005,-0.022222222,0.004204204,0.003921569,0.003584229,0.003174603,7.76E-15,-0.188148148,-0.005291005,-0.022222222,0.004204204,0.003921569,0.003584229,0.003174603,2.02E-15,-0.188148148,-0.005291005,-0.022222222,0.004204204,0.003921569,0.003584229,0.003174603,-1.37E-14,-0.188148148,-0.005291005,-0.022222222,0.004204204,0.003921569,0.003584229,0.003174603,0.139312435,-0.004501689,0.032024136,-0.036423904,-0.005311211,-0.011002602,-0.017795551,-0.026044133,1.260978612,1.277189634,0.955436392,0.919975911,0.851831564,0.880872702,0.899501654,0.917761547,1.305555556,1.322962963,0.978130511,0.974814815,0.940940941,0.94204793,0.943369176,0.944973545,1.305555556,1.322962963,0.978130511,0.974814815,0.940940941,0.94204793,0.943369176,0.944973545,1.305555556,1.322962963,0.978130511,0.974814815,0.940940941,0.94204793,0.943369176,0.944973545,1.305555556,1.322962963,0.978130511,0.974814815,0.940940941,0.94204793,0.943369176,0.944973545,1.305555556,1.322962963,0.978130511,0.974814815,0.940940941,0.94204793,0.943369176,0.944973545,1.12169713,1.005372984,0.836821669,0.852845913,0.811317616,0.845200359,0.885641052,0.934747609,194.1706613,97.08533064,157.2484782,194.1706613,10.78725896,97.08533064,-1.56E-13,0.234765208,0.013042512,-2.60850488,148.0417871,8.224543729,8.995490243,194.1706613,97.08533064,157.2484782,194.1706613,10.78725896,97.08533064,-1.56E-13,0.234765208,0.013042512,-2.60850488,148.0417871,8.224543729,8.995490243,194.1706613,97.08533064,157.2484782,194.1706613,10.78725896,97.08533064,-1.56E-13,0.234765208,0.013042512,-2.60850488,148.0417871,8.224543729,8.995490243,194.1706613,97.08533064,157.2484782,194.1706613,10.78725896,97.08533064,-1.56E-13,0.234765208,0.013042512,-2.60850488,148.0417871,8.224543729,8.995490243,194.1706613,97.08533064,157.2484782,194.1706613,10.78725896,97.08533064,-1.56E-13,0.234765208,0.013042512,-2.60850488,148.0417871,8.224543729,8.995490243,194.1706613,97.08533064,157.2484782,194.1706613,10.78725896,97.08533064,-1.56E-13,0.234765208,0.013042512,-2.60850488,148.0417871,8.224543729,8.995490243,230.2171478,114.5340259,188.1046349,230.0015099,12.77786166,114.5340259,-0.32345679,0.299424728,0.016634707,-2.170605992,134.1219368,7.451218711,8.817748852,0,11.85,12.15023662,-0.21004417,0.090220233,5.127305401,8.757775167,18,48,45,42,12,3,0,0,0,6,32.79621,3.785298223,3.524468072,3.390732549,3.193876448,2.958378237,2.710525924,2.619181914,2.455466349,1.996608397,1.928930204,1.828430439,1.684521172,1.509049645,1.318587213,1.133027429,1.082250302,3.797680512,3.552519303,3.420825709,3.227093998,2.994574444,2.74922552,2.645815032,2.501035496,1.960279248,1.871846242,1.766011537,1.613998671,1.429143289,1.228884019,1.034219852,1.007167592,3.854402846,3.674734812,3.552469117,3.373748844,3.157437763,2.925998949,2.771820215,2.701398193,1.866262694,1.698900527,1.578573762,1.403012644,1.190349713,0.962275969,0.798620231,0.741477898,3.80691132,3.573125245,3.442965858,3.251619845,3.02149456,2.778127682,2.665925019,2.534601008,1.938529279,1.834925848,1.725869481,1.568719064,1.377810133,1.171279954,0.970889973,0.960278991,3.883713386,3.73354076,3.616025207,3.445064222,3.237787135,3.01483728,2.838078588,2.799277596,1.839631888,1.643948112,1.519242153,1.33657072,1.115780206,0.880336977,0.738564276,0.650595699,3.944735207,3.531809023,3.424316947,3.255665442,3.048469537,2.859953855,2.827272305,2.591962339,1.882696308,1.816075458,1.699170229,1.532018511,1.327152701,1.104557783,0.886407887,0.765493071,0,0,0,5,1,1,11,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.612372436,0.649519053,0.219416097,0.27300174,0.255985446,12.89105877,8.931851653,6.474691495,4.690670698,3.39626437,2.457707785,1.360798358,0.899729747,0.716169932,0.496213981,0.340773237,0.234533535,0.161726875,0.11171399,0.080046962,0.056233109,12.16492594,7.971343774,5.417579075,3.661829883,2.46123825,1.644596295,0.983795003,0.633148118,0.675829219,0.442852432,0.285135741,0.183091494,0.117201821,0.074754377,0.057870294,0.039571757,26.12741706,46.3175528,43.88235294,44.4,29.97831737,365.6519102,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,6.15,81.99,124.0372929,191.2505066,248.0745859,13.78192144,124.0372929,0.154721055,0.008595614,-3.359036575,172.7599699,9.597776107,9.273425713,419,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,12,0,0,5,0,0,0,0,0,0,0,0,1,0,11,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.37305017,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.937153639,0,2.855569811,0,0,1.937153639,0,0,0,0,0,0,0,0,2.284460706,0,15.5091558,0,0,10.87576719,0,0,0,0,1.497282979,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.497282979,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.36850104,0,0.207229095,0,0,0.36850104,0,0,0,0,0,0,0,0,2.284460706,0,1.26125,0,0,2.09924792,0,0,0,0,1.497282979,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.243780232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.409816144,0,0.359305556,0,0,0.409816144,0,0,0,0,0,0,0,0,2.284460706,0,1.457029034,0,0,2.243780232,0,0,0,0,1.497282979,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,30.16666667,1.675925926,0.409816144,2.284460706,0.10727655,1.26125,12.0136111,0.23875,0.284460706,2.320455784,0.23875,0.284460706,2.320455784,9,0.5,0,0,0.45,0.7,0.43333,0.43333,0.7,0.01667,0.01667,0,0,0.71429,0,0,0.05556,0.05556,0,15,0.83333,9,0.5,6,0.33333,-3,-0.16667,0,0,18.45089,1.02505,23.96922,5.51834,0.30657,6.94966,0.38609,8.93185,1.98218,0.11012,-0.01785,-9.90E-04,0.06815,0.00379,0.125,18,0,0,0,0,0,0,0.666666667,0.954434003,1.990484029,2.760837972,3.480388542,3.931127543,4.175556575,45.81283214,95.54323339,132.5202227,167.05865,188.694122,200.4267156,0.170893538,0.356400608,0.4943342,0.623171336,0.70387716,0.747642723,4.630528498,3.594478472,2.824124529,2.104573959,1.653834958,1.409405926,0.168258539,0.350905285,0.486712086,0.613562688,0.693024113,0.736114858,6.794779896,14.76165509,18.76104215,22.06139498,23.60454759,24.48176857,70.02286694,54.53275904,44.31964683,35.15137917,30.20444735,27.65972311,16.05555556,12.05540166,9.6,12,6,12,3.44,2.4072,0,2.360658271,0.083333333,0,27.65379676,4.587741322,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,8.909,19,20,21,22,17,16,15,14,13,193,3.091042453,3.349904087,3.657130756,4.000491653,4.3686564,3.862044636,3.840795496,3.81908501,3.796892698,3.774196689,6.13041094,2.376295337,0.466666667,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,0.611111111,12,0.666666667,2,8,15,0.875,1,0.444444444,0.1875,0.151111111,0.090277778,0.060408163,0.043402778,0.032753842,0.025625,0.020610142,0.055555556,0.023391813,0.011029412,0.010793651,0.006944444,0.005034014,0.003945707,0.003275384,0.002847222,0.002576268,0.141142915,102.3701925,163.6529944,204.7403851,11.37446584,102.3701925,0.149844923,0.008324718,-3.416677861,261.6782251,14.53767917,10.02080808,0,288.7183472,5.169925001,4.317488114,5.030437921,5.758901774,6.487684018,7.22620901,7.963112059,8.707978827,9.450380371,10.20006742,101.1422595,3.610917913,0,4.727387819,0,6.013715156,0,7.383368147,0,8.800415333,9.084663764,246.234751,5.129890645,35.70849013,1.983805007,0,0,0,889,17,8.628,74,1.243089661,2.163141564,2.906658041,3.676499787,4.893393179,5.897164406,7.15435103,8.266610974,9.511094187,10.65267384,87.56669752,91.01294495,86.30788799,104.5479162,130.6824736,158.1851692,186.2926489,214.730605,243.716246,273.2906979,312.0601713,383.3035085,389.9015085,490.9378845,616.5438447,750.7163268,890.0295426,1029.739311,1172.302109,1315.76264,9.079897403,15.50091364,20.4550782,25.91184434,34.35365202,41.44103953,50.20975412,58.03015445,66.72621458,74.74873704,2.303527649,3.080951299,3.307946182,4.203854492,5.331445769,6.489493447,7.732151976,8.951066317,10.21367019,11.46197085,175.8983912,326.6874168,467.1886261,587.4590428,792.353391,951.6352211,1159.526747,1338.58405,1543.148347,1727.27695,2.65715673,3.929801346,4.574880564,5.73656164,7.413735571,9.050272815,10.95246272,12.78721599,14.80259581,16.82525561,0.475301997,0.64604889,0.701671339,0.89263022,1.13467721,1.380761157,1.646850461,1.906511428,2.176465586,2.442315082,549.9983641,534.3681111,18.73784016,88.87388902,-86.3482063,-5.249668013,461.124475,620.7163174,23.98750818,0.860889421,0.83642404,0.029329557,0.139110579,-0.135157234,-0.008217086,351.378694,341.3929591,11.97108616,56.77906172,-55.16547311,-3.353867231,0.063843126,0.067185609,1.55498712,0.693030146,638.8722531,0,1,0,1223.536777,34.97909057,10.69561289,1515.209421,38.92569101,11.48570226,2141.550256,46.27688684,12.88969844,3.893352255,3.893352255,7895.818448,7844.741083,218.1125765,1.006511033,36.20065645,35.96647754,7.796289764,9.770048772,18.75320652,0.919458844,8.775427898,12.3065299,6.444379906,56.58684806,21.47468768,4.386328457,10.64982113,12.14215219,39.20896351,3.246900162,4.52164227,35.32838832,6.875242782,38.48094257,4.603394129,3.610386487,18.61147875,8.749955826,29.55958689,4.405695324,5.973960108,9.735363883,7.670684657,13.7983863,5.100730369,5.48738929,3.977598893,6.594175477,2.19039138,5.576677898,0.736570462,12.30600539,0.49823341,13.24802155,1.086988331,1.167505682,1.422661517,1.631736545,10.08857467,0.474410042,1.29777966,3.02460796,1.212660342,7.787094438,1.212124692,0.411844389,1.780631435,1.251482895,5.051463226,0.435906733,0.515563364,1.247178658,1.133701944,2.474736913,0.273665741,0.872789903,1.133150507,1.230584047,0.453900645,0.390265587,2.377472647,12.3060415,1.635786525,16.33835748,2.54518766,1.575975781,3.245192245,3.000381636,14.00327808,0.833930927,1.792108735,8.393066641,1.835110883,12.58824629,1.668799175,0.986876468,3.873245382,2.273553489,8.692612954,1.011255425,1.313206586,2.16492706,1.913469948,4.211038726,0.937555168,1.547555281,1.57384827,1.936520504,0.668617545,1.241862665,8.283294806,12.30647269,6.053410357,51.897379,19.27020644,4.10134205,10.06338628,11.22392196,36.70830365,3.004151598,4.266357456,32.91725693,6.33988314,36.08393112,4.312451167,3.387030254,17.10602544,8.111004469,27.57757031,4.079543183,5.527822462,8.927448841,7.07430693,12.90171053,4.691514112,5.110369958,3.753966582,6.12824495,2.034650029,5.185918397,3.503900555,12.30608736,2.439301134,20.1688644,4.348880742,1.930180383,4.514393615,4.170548169,17.29316678,1.142016202,2.180064978,12.44220123,2.420782135,16.31881314,2.052233316,1.404735779,5.708500241,3.126165279,11.59639993,1.47598166,1.954748532,3.036884684,2.61341941,5.573713525,1.488729918,2.090089675,1.917917067,2.536592322,0.857505034,1.887937835,10.59757523,12.30677022,7.922564692,76.26190378,30.72276546,5.541345467,12.84559925,15.85394902,49.28293762,4.228596088,5.532613402,44.74794869,9.071693704,47.94409731,5.775242053,4.468647972,24.72491342,11.31996829,37.44497595,5.707671563,7.752950191,13.0540236,10.10156006,17.34937536,6.744979532,6.990638979,4.86180906,8.475512929,2.823160818,7.106655519,5.156484971,10.66480303,3.787030575,27.30068347,8.411433152,2.818976278,6.277800344,6.497941669,21.42753954,1.703890505,2.946975164,18.20455064,3.622986009,21.08266557,2.921786256,2.236199779,9.312042159,4.799506975,15.72789421,2.417400098,3.207810636,4.894724205,4.113076594,7.770870032,2.539330996,3.0711685,2.652136341,3.836705658,1.317400657,3.190499504,31.4949056,1.04614376,0.770149025,0.945475009,0.031405167,0.56733619,0.413524982,0.410981009,33.31119838,58.00965641,116.6958781,0.918212514,1.391842182,32.26844928,0.546738585,0.339147889,0.973279921,0.016490711,0.595353647,0.120077922,0.080977886,33.15433576,28.77160799,67.9093286,0.959919881,0.796409455,31.9777169,0.73423506,0.501207533,0.962802618,0.022106751,0.58472037,0.211352603,0.175924409,33.21315949,39.87463761,84.8557294,0.944203926,0.971997382,31.51580799,1.032629483,0.758506975,0.946223333,0.031003429,0.568081653,0.403536766,0.3988464,33.30694445,57.23236935,115.2242805,0.919335,1.370464819,31.84138712,0.822249414,0.577160196,0.95790084,0.024736152,0.579776807,0.262236195,0.232625248,33.24079673,45.03371278,93.38546492,0.93685126,1.07463825,31.42883339,1.08886769,0.806949795,0.943110657,0.032674542,0.564984076,0.445799288,0.450484629,33.32465088,60.46199345,121.4019521,0.914665986,1.461267993,31.64504088,1.036024207,0.761055219,0.946262994,0.030979621,0.572740771,0.405432545,0.40132082,33.4421203,57.65712353,116.0504608,0.919394491,1.379494135 +UMLYSI0091,L,(3-butynyl)-benzene,C#CCCC1=CC=CC=C1,aromatic,C10H10,16520-62-0,123360,UML,,298.9,0,2.0975,4.39950625,47.2307,24.26793,6,6,20,10,10,0,10,0,0,0,0,0,0,0,0,0,1452.80185,1563.71209,1818.972131,1584.968625,1117.887126,878.798429,547.852539,208.863817,26.246304,4546.006462,5382.535181,6900.849119,6699.264248,5146.671182,3867.428838,2489.682719,1121.534961,291.6407216,142.5898,146.58148,231.617612,285.317892,254.780376,203.735732,126.99102,70.002532,27.672192,32.33512905,39.0244431,52.7244677,54.26852237,43.45041525,32.64238658,21.05627622,10.13507317,3.11631443,3117.120081,2799.169038,4673.901628,6142.309018,5672.393611,4690.454177,2867.99191,1632.077703,676.0803995,59.52777778,61.16666667,79.08333333,89.66666667,76.83333333,64.16666667,49.5,26.5,8,72.6400925,78.1856045,56.84287909,39.62421562,31.05242017,30.3033941,30.43625217,20.8863817,6.561576,227.3003231,269.1267591,215.651535,167.4816062,142.9630884,133.3596151,138.3157066,112.1534961,72.9101804,7.12949,7.329074,7.238050375,7.1329473,7.077232667,7.025370069,7.055056667,7.0002532,6.918048,1.616756452,1.951222155,1.647639616,1.356713059,1.206955979,1.125599537,1.169793123,1.013507317,0.779078607,155.8560041,139.9584519,146.0594259,153.5577255,157.5664892,161.7397992,159.3328839,163.2077703,169.0200999,2.976388889,3.058333333,2.471354167,2.241666667,2.134259259,2.212643678,2.75,2.65,2,0.086392521,-0.001345511,-0.036662074,-0.02586963,0.005279549,0.027756927,-0.011383645,-0.00885273,2.33E-04,605.330045,1.42E-13,-181.5990135,-181.5990135,-121.066009,151.3325112,-9.24E-14,-6.39E-14,-2.84E-14,1125.637067,2.84E-13,-337.6911202,-337.6911202,-225.1274134,281.4092668,-8.53E-14,-8.53E-14,-5.68E-14,0.11858,1.37E-15,-0.035574,-0.035574,-0.023716,0.029645,-4.08E-16,-4.15E-16,-2.74E-16,5.032121424,7.77E-15,-1.509636427,-1.509636427,-1.006424285,1.258030356,-2.66E-15,-2.22E-15,-1.55E-15,27.33456344,4.00E-14,-8.200369033,-8.200369033,-5.466912688,6.833640861,-1.11E-14,-1.29E-14,-8.44E-15,10.95972222,0.651388889,-2.4175,-4.093055556,-1.446944444,4.209791667,-0.28875,-1.420138889,-0.986388889,0.004319626,-6.73E-05,-0.00114569,-6.47E-04,1.47E-04,9.57E-04,-6.32E-04,-8.85E-04,5.82E-05,30.26650225,7.11E-15,-5.674969172,-4.539975337,-3.362944694,5.218362457,-5.13E-15,-6.39E-15,-7.11E-15,56.28185336,1.42E-14,-10.5528475,-8.442278004,-6.253539262,9.703767821,-4.74E-15,-8.53E-15,-1.42E-14,0.005929,6.85E-17,-0.001111687,-8.89E-04,-6.59E-04,0.001022241,-2.26E-17,-4.15E-17,-6.85E-17,0.251606071,3.89E-16,-0.047176138,-0.037740911,-0.02795623,0.043380357,-1.48E-16,-2.22E-16,-3.89E-16,1.366728172,2.00E-15,-0.256261532,-0.205009226,-0.151858686,0.235642788,-6.17E-16,-1.29E-15,-2.11E-15,0.547986111,0.032569444,-0.075546875,-0.102326389,-0.040192901,0.14516523,-0.016041667,-0.142013889,-0.246597222,-0.015574388,-0.265228931,-0.149721466,0.033950655,0.221578306,-0.146407286,-0.204942035,0.013469188,2.35E-16,-0.1875,-0.15,-0.111111111,0.172413793,-1.70E-16,-2.11E-16,-2.35E-16,2.52E-16,-0.1875,-0.15,-0.111111111,0.172413793,-8.42E-17,-1.51E-16,-2.52E-16,1.16E-14,-0.1875,-0.15,-0.111111111,0.172413793,-3.82E-15,-6.99E-15,-1.16E-14,1.54E-15,-0.1875,-0.15,-0.111111111,0.172413793,-5.88E-16,-8.83E-16,-1.54E-15,1.46E-15,-0.1875,-0.15,-0.111111111,0.172413793,-4.51E-16,-9.42E-16,-1.54E-15,0.059434799,-0.137862755,-0.18673172,-0.073346569,0.264906769,-0.029273856,-0.259156001,-0.450006336,0.863637393,1.007611517,0.921269803,0.824761769,0.739030871,1.371542762,1.917711446,2.057866704,0.95,1.128125,1.0925,1.055555556,0.786206897,0.95,0.95,0.95,0.95,1.128125,1.0925,1.055555556,0.786206897,0.95,0.95,0.95,0.95,1.128125,1.0925,1.055555556,0.786206897,0.95,0.95,0.95,0.95,1.128125,1.0925,1.055555556,0.786206897,0.95,0.95,0.95,0.95,1.128125,1.0925,1.055555556,0.786206897,0.95,0.95,0.95,0.801799518,0.691491889,0.976967431,0.924330109,0.611084649,1.685464453,2.275377012,2.167025726,43.78240223,21.89120112,34.95475443,43.78240223,4.378240223,21.89120112,1.07E-14,0.249358199,0.02493582,-1.388864866,45.43650779,4.543650779,3.816315918,43.78240223,21.89120112,34.95475443,43.78240223,4.378240223,21.89120112,1.07E-14,0.249358199,0.02493582,-1.388864866,45.43650779,4.543650779,3.816315918,43.78240223,21.89120112,34.95475443,43.78240223,4.378240223,21.89120112,1.07E-14,0.249358199,0.02493582,-1.388864866,45.43650779,4.543650779,3.816315918,43.78240223,21.89120112,34.95475443,43.78240223,4.378240223,21.89120112,1.07E-14,0.249358199,0.02493582,-1.388864866,45.43650779,4.543650779,3.816315918,43.78240223,21.89120112,34.95475443,43.78240223,4.378240223,21.89120112,1.07E-14,0.249358199,0.02493582,-1.388864866,45.43650779,4.543650779,3.816315918,43.78240223,21.89120112,34.95475443,43.78240223,4.378240223,21.89120112,1.07E-14,0.249358199,0.02493582,-1.388864866,45.43650779,4.543650779,3.816315918,65.81471729,32.27071047,53.4434849,65.54518473,6.554518473,32.27071047,-0.759722222,0.299912639,0.029991264,-1.20426405,42.64394265,4.264394265,3.752885239,0,11.85,12.1501118,-0.210274484,0.089865531,4.476144787,8.536693842,10,20,16,13,3,3,0,1,0,7,10.93207,3.785695758,3.353956978,2.828543768,2.619181914,2.26326235,1.497941464,0.941428501,0.749796894,1.983253883,1.658822999,1.199469931,1.082250302,0.872741183,0.638381277,0.310513972,0.232414798,3.797729882,3.371267018,2.849851544,2.645815032,2.302158783,1.587608792,1.053336623,0.876332733,1.951173123,1.607940358,1.138205203,1.007167592,0.781382183,0.499373637,0.150156259,0.064514256,3.852413822,3.452910776,2.950076268,2.771820215,2.478709834,1.964906514,1.517793787,1.390017478,1.863733083,1.470317336,0.971349099,0.798620231,0.514769247,0.035614515,0.396843083,0.517489385,3.806681323,3.384310763,2.865900829,2.665925019,2.331155875,1.653054136,1.134811365,0.967799817,1.931410382,1.576565314,1.100347309,0.960278991,0.723272419,0.406233551,0.041902902,0.049427775,3.880297201,3.496026845,3.002695485,2.838078588,2.567011994,2.134384815,1.721464227,1.60985613,1.838254426,1.431353364,0.923677657,0.738564276,0.433270828,0.127248655,0.594311107,0.732295616,3.754319205,3.655331764,2.868620213,2.632563465,2.317818636,1.630457819,1.164694476,1.001507662,2.020661783,1.605588303,1.002496127,0.972116512,0.612905681,0.341530159,0.009504241,0.104993439,1,1,0,5,1,0,2,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.612372436,0.679412342,0.219416097,0.255742842,0.218446182,7.234204519,4.931851653,3.64626437,2.690670698,1.968614081,1.513420006,0.637136847,0.348461713,0.723420452,0.493185165,0.331478579,0.224222558,0.151431852,0.108101429,0.079642106,0.058076952,5.878315178,3.406465518,2.189722705,1.400837364,0.861183589,0.533909221,0.197141522,0.087630571,0.587831518,0.340646552,0.1990657,0.116736447,0.066244891,0.038136373,0.02464269,0.014605095,12.70913902,19.43918427,18.62745098,18.8,13.99277246,148.8547485,0.635456951,0.971959213,0.931372549,0.94,0.699638623,7.442737425,2.33199,42.951,44.38801919,65.39551953,88.77603837,8.877603837,44.38801919,0.155799856,0.015579986,-1.859183073,41.5279113,4.15279113,3.726365763,107,1,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,5,0,2,1,0,5,0,0,0,0,0,0,0,0,0,0,2,1,0,5,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.575195224,0,0,19.33199074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.575195224,0,0,2.16199015,0,0.912638889,0.466527778,0,2.16199015,0,0,0,0,0,0,0,0,0,0,1.834675926,5.126354875,0,10.26959845,0,0,2.616176304,0,1.319861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.575195224,0,0,1.319861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.575195224,0,0,0.423541667,0,0.446111111,0.466527778,0,0.423541667,0,0,0,0,0,0,0,0,0,0,0.837314815,5.126354875,0,2.013268141,0,0,2.616176304,0,1.319861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.575195224,0,0,5.126354875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.575195224,0,0,0.442063846,0,0.466527778,0.466527778,0,0.442063846,0,0,0,0,0,0,0,0,0,0,0.997361111,5.126354875,0,2.094583333,0,0,2.616176304,0,1.319861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.16666667,2.116666667,0.575195224,5.126354875,0.185347222,0.837314815,5.176459643,0.662685185,1.126354875,3.024259259,0.662685185,1.126354875,3.024259259,5,0.5,0,0,0.5,0.7,0.43333,0.43333,0.7,0.06667,0.06667,0,0,0.71429,0,0,0.1,0.1,0,13,1.3,5,0.5,8,0.8,3,0.3,0,0,4.78477,0.47848,10.92787,6.14309,0.61431,2.21381,0.22138,4.93185,2.71803,0.2718,-0.01785,-0.00178,0.06815,0.00682,0.3,10,0,0,0,0,0,0,0.25,1,2.760964047,3.203701696,3.68418372,3.921928095,3.921928095,20,55.21928095,64.07403392,73.6836744,78.4385619,78.4385619,0.231378213,0.638826928,0.741266774,0.852439846,0.907448715,0.907448715,3.321928095,1.560964047,1.118226399,0.637744375,0.4,0.4,0.215338279,0.594541246,0.68987961,0.793345782,0.844541246,0.844541246,6.503912516,20.15550362,23.26992041,26.36748999,26.60709472,26.60709472,35,26.05653102,21.9038806,17.79982892,17.21648362,17.21648362,8.1,4.760330579,3.111111111,4,6,4,2.56,1.194,0,2.142414564,0.25,0,11.46750113,4.68730728,0,0,0,0,0,0,0,0,0,0,0,0,0,0.085,0.154,0.156,0.662,0.808,4.429,11,12,13,14,8,6,4,2,0,90,2.772588722,3.113515309,3.488902962,3.884137802,4.342993404,3.840795496,3.840795496,3.840795496,3.840795496,0,5.953405659,4.267361111,0.428571429,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,2,0.2,0,4,7,0.75,1,0.444444444,0.1875,0.151111111,0.090277778,0.060408163,0.027777778,0,0,0,0.1,0.04040404,0.020833333,0.025185185,0.018055556,0.020136054,0.027777778,0,0,0,0.252391947,27.56160995,42.5576848,55.12321989,5.512321989,27.56160995,0.162869141,0.016286914,-1.814808216,52.10125507,5.210125507,3.953189038,0,145.0775528,4.321928095,3.761200116,4.48863637,5.241747015,5.993961427,6.758094504,7.518064181,8.285765421,9.048409505,9.817439348,80.91331789,3.044522438,0,4.17438727,0,5.517452896,0,6.955592608,0,8.438366411,8.701346403,130.0782503,6.503912516,19.70454557,1.970454557,0,0,0,133,9,2.941,42,1.241865187,2.215578153,3.046825258,3.921282464,4.748904605,5.852959862,7.078267354,8.646681649,9.666758708,0,106.1596524,135.1693242,127.6480607,134.9401364,164.0890219,199.3432561,157.7029301,56.39748467,9.82204552,0,355.3961058,500.7936585,531.3272696,593.8927142,689.3246619,868.7351054,838.6323946,627.878968,300.4790571,0,9.130724335,16.07504712,21.78567244,27.80980528,33.48319594,41.42154325,49.71812148,59.80598054,64.94577037,0,2.538055105,3.780620655,4.265970468,4.922814074,5.682273819,7.203756986,7.497790115,6.716036387,4.297965669,0,172.0038734,321.0313387,463.9886745,613.9511183,759.5264701,923.4041222,1142.126626,1462.433027,1787.554323,0,3.869863651,5.635443579,7.003466512,8.629040503,11.2101502,17.0077858,19.64567021,17.23453988,9.666758708,0,0.520416293,0.783574851,0.894687809,1.038954901,1.199609006,1.521048596,1.603147765,1.476113884,0.989876092,0,249.0043027,147.4541246,16.57470571,203.2211857,-120.342507,-19.12596232,45.78311696,267.7966316,35.70066803,0.550619788,0.326063277,0.036651419,0.449380212,-0.26611173,-0.042292977,112.6060924,66.68251351,7.495504387,91.90179998,-54.421949,-8.64924765,0.208248744,0.202033638,10.63269926,14.43557338,452.2254884,0,1,0,767.389591,27.70179761,9.155287103,865.7346371,29.42336889,9.530776043,1250.059145,35.35617548,10.77234335,2.564365668,2.564365668,862.9475003,792.4659089,108.3064176,1.088939588,7.96764882,7.316887832,4.504231957,5.282500282,9.666758708,0.829958957,3.374545723,3.735519129,3.746622757,10.66041565,2.406742014,6.912694065,2.744739951,8.257435362,2.948446364,2.346297283,2.373178015,0.714856582,0.858517268,2.326101432,0.724083917,1.834765765,0.229415021,0.061986004,1.50E-05,7.04E-31,6.35E-78,1.11E-146,3.71E-237,0,0,0,0,0,0,0,0.293545692,3.735434314,0.309284846,3.871049862,0.951681239,2.298806338,0.267751339,1.170013042,0.874301435,1.157567,0.638055798,0.095525142,0.771316122,1.104361239,0.060767346,0.086803641,0.001615794,4.37E-04,1.06E-07,4.96E-33,4.47E-80,7.78E-149,2.61E-239,0,0,0,0,0,0,0,0.922443483,3.735440222,1.001157031,4.435660383,1.143047556,2.996832755,0.769872132,2.14427278,1.163397964,1.344322809,0.962672471,0.213784107,0.789113531,1.353744459,0.196164399,0.32447661,0.016837779,0.004549422,1.10E-06,5.16E-32,4.66E-79,8.11E-148,2.72E-238,0,0,0,0,0,0,0,3.185929109,3.735509902,3.532738004,9.954246695,2.280291381,6.543998675,2.591867467,7.656416856,2.773964644,2.253752254,2.256498165,0.674054894,0.853178096,2.251307373,0.683476152,1.685614876,0.204404658,0.055228414,1.34E-05,6.27E-31,5.66E-78,9.85E-147,3.31E-237,0,0,0,0,0,0,0,1.354162101,3.735447663,1.479004066,5.067092083,1.305782011,3.548385308,1.1155972,2.953347058,1.401724379,1.489119532,1.194288249,0.297387989,0.801331549,1.524938222,0.289110232,0.523001846,0.036573893,0.009881953,2.40E-06,1.12E-31,1.01E-78,1.76E-147,5.92E-238,0,0,0,0,0,0,0,4.072908149,3.735557872,4.542462789,13.60491512,2.917365863,8.375722196,3.312157944,10.67250174,3.648410919,2.71139928,2.817064019,0.869204458,0.878286701,2.603030168,0.874436194,2.434853339,0.334580229,0.090400762,2.19E-05,1.03E-30,9.26E-78,1.61E-146,5.41E-237,0,0,0,0,0,0,0,1.600478897,2.5292587,1.644326407,4.381821682,1.026024974,4.424736084,1.265598905,2.942320541,1.487314873,2.225153086,1.215882839,0.343241328,1.405670392,2.845931748,0.381114675,0.82241243,0.051205574,0.013835304,3.36E-06,1.57E-31,1.42E-78,2.47E-147,8.28E-238,0,0,0,0,0,0,0,6.596602867,1.367953221,0.366866674,0.791773873,0.164192031,0.423787103,0.392106704,0.237870714,8.331422762,11.94577434,23.58774479,0.687660809,1.053764521,5.946754153,0.687147402,0.145364155,0.877197385,0.101360152,0.345502055,0.098941135,0.0375569,6.77926571,5.050628162,12.42389494,0.815796077,0.48200009,6.154428845,0.905858132,0.217562225,0.845638412,0.124467835,0.369529488,0.17194965,0.084099491,7.277849202,7.11109116,15.60185834,0.768457619,0.62557863,6.574265152,1.344716829,0.359456831,0.794143111,0.162436041,0.420944359,0.378900609,0.228447041,8.278438813,11.68705716,23.14328307,0.691214666,1.028292008,6.2652887,1.022150994,0.255536101,0.83061233,0.135510311,0.382735307,0.218932235,0.115925249,7.542975794,8.266274997,17.44572214,0.745918495,0.717592791,6.669499449,1.44370782,0.390955957,0.784262869,0.169764829,0.433139752,0.436730697,0.269774961,8.504163226,12.80071522,25.06931849,0.676394303,1.139645409,6.678880851,1.338303593,0.356752973,0.797579504,0.159817721,0.43446106,0.375287118,0.225137191,8.373937416,11.79852462,23.36125219,0.696369256,1.034885369 +UMLYSI0092,L,n-undecylbenzene,CCCCCCCCCCCC1=CC=CC=C1,aromatic,C17H28,6742-54-7,23194,PubChem,,293.7,0,-1.2705,1.61417025,66.7042,48.590204,6,6,45,17,28,0,17,0,0,0,0,0,0,0,0,0,2480.939849,2791.488521,3251.638674,3020.85472,2551.741093,2332.802316,2136.045587,1939.288858,1742.532129,8070.132174,10412.41259,14108.43358,14516.63657,12901.87602,11727.77193,10720.97358,9714.175239,8707.376894,316.305764,327.482468,600.303816,821.16736,777.192916,713.50968,650.62478,587.73988,524.85498,59.86046134,78.59054068,114.9980162,126.3195307,114.6121977,104.2528061,95.23127721,86.20974835,77.1882195,7333.19831,6442.935389,12801.72291,18956.66181,18116.9111,16701.54616,15222.591,13743.63585,12264.68069,77.27777778,94.41666667,150.3333333,180.75,165.5,151.0833333,138.8333333,126.5833333,114.3333333,55.13199664,62.03307824,38.70998421,25.81927111,22.9886585,22.87061094,22.96823212,23.08677212,23.23376172,179.3362705,231.3869464,167.9575426,124.0738169,116.2331173,114.9781562,115.2792858,115.6449433,116.0983586,7.029016978,7.277388178,7.146474,7.018524444,7.001737982,6.995192941,6.995965376,6.996903333,6.9980664,1.330232474,1.74645646,1.369024002,1.079654108,1.032542322,1.022086334,1.023992228,1.026306528,1.02917626,162.9599624,143.176342,152.4014633,162.0227506,163.2154153,163.7406486,163.6837742,163.6147125,163.5290759,1.717283951,2.098148148,1.78968254,1.544871795,1.490990991,1.48120915,1.492831541,1.506944444,1.524444444,0.086099458,-0.001062082,-0.036431239,-0.011845503,-0.004270619,0.006789499,8.95E-04,5.63E-05,-1.95E-05,1280.60934,-1.61E-12,-439.9628446,-20.44670374,-75.68867526,13.63113583,11.47885122,9.326566619,7.174282015,2381.347751,3.27E-13,-818.1296965,-38.02151871,-140.7463237,25.34767914,21.34541401,17.34314889,13.34088376,0.250862578,3.27E-15,-0.086185701,-0.004005369,-0.014826892,0.002670246,0.002248628,0.00182701,0.001405393,10.64573244,2.43E-14,-3.657420401,-0.169973879,-0.629201553,0.113315919,0.095423932,0.077531945,0.059639958,57.82778755,-8.04E-13,-19.86716567,-0.92330081,-3.417832822,0.615533873,0.518344314,0.421154755,0.323965196,5.919753086,0.811728395,-0.008230453,0.466049383,-0.582304527,-0.097736626,-0.174897119,-0.252057613,-0.329218107,0.001913321,-2.36E-05,-4.34E-04,-1.01E-04,-3.85E-05,6.66E-05,9.62E-06,6.70E-07,-2.60E-07,28.45798533,-3.58E-14,-5.237652911,-0.174758152,-0.681879957,0.133638587,0.123428508,0.111030555,0.095657094,52.91883891,7.26E-15,-9.739639245,-0.324970245,-1.267984898,0.248506658,0.229520581,0.206466058,0.17787845,0.005574724,7.27E-17,-0.00102602,-3.42E-05,-1.34E-04,2.62E-05,2.42E-05,2.18E-05,1.87E-05,0.236571832,5.39E-16,-0.043540719,-0.001452768,-0.005668482,0.00111094,0.001026064,9.23E-04,7.95E-04,1.285061946,-1.79E-14,-0.236513877,-0.00789146,-0.030791287,0.006034646,0.005573595,0.005013747,0.004319536,0.131550069,0.018038409,-9.80E-05,0.003983328,-0.005245987,-9.58E-04,-0.001880614,-0.003000686,-0.004389575,-0.012335524,-0.226676631,-0.052915114,-0.020108512,0.034789617,0.005028839,3.50E-04,-1.36E-04,-1.26E-15,-0.184048619,-0.006140918,-0.023960936,0.004695996,0.004337219,0.003901561,0.003361345,1.37E-16,-0.184048619,-0.006140918,-0.023960936,0.004695996,0.004337219,0.003901561,0.003361345,1.30E-14,-0.184048619,-0.006140918,-0.023960936,0.004695996,0.004337219,0.003901561,0.003361345,2.28E-15,-0.184048619,-0.006140918,-0.023960936,0.004695996,0.004337219,0.003901561,0.003361345,-1.39E-14,-0.184048619,-0.006140918,-0.023960936,0.004695996,0.004337219,0.003901561,0.003361345,0.137122002,-7.45E-04,0.030279939,-0.039878252,-0.007283935,-0.014295805,-0.022810219,-0.033368092,1.249014767,1.266831773,0.955165416,0.918427341,0.846916788,0.87919977,0.900978553,0.923290478,1.294117647,1.31227491,0.977698772,0.97433568,0.937963421,0.939278937,0.940876351,0.942857143,1.294117647,1.31227491,0.977698772,0.97433568,0.937963421,0.939278937,0.940876351,0.942857143,1.294117647,1.31227491,0.977698772,0.97433568,0.937963421,0.939278937,0.940876351,0.942857143,1.294117647,1.31227491,0.977698772,0.97433568,0.937963421,0.939278937,0.940876351,0.942857143,1.294117647,1.31227491,0.977698772,0.97433568,0.937963421,0.939278937,0.940876351,0.942857143,1.114911366,0.996685536,0.839095211,0.857481047,0.816751518,0.855831007,0.903284672,0.962127216,170.5910535,85.29552674,138.2023922,170.5910535,10.03476785,85.29552674,-5.68E-14,0.247751194,0.0145736,-2.372061487,132.9794107,7.822318276,8.313330326,170.5910535,85.29552674,138.2023922,170.5910535,10.03476785,85.29552674,-5.68E-14,0.247751194,0.0145736,-2.372061487,132.9794107,7.822318276,8.313330326,170.5910535,85.29552674,138.2023922,170.5910535,10.03476785,85.29552674,-5.68E-14,0.247751194,0.0145736,-2.372061487,132.9794107,7.822318276,8.313330326,170.5910535,85.29552674,138.2023922,170.5910535,10.03476785,85.29552674,-5.68E-14,0.247751194,0.0145736,-2.372061487,132.9794107,7.822318276,8.313330326,170.5910535,85.29552674,138.2023922,170.5910535,10.03476785,85.29552674,-5.68E-14,0.247751194,0.0145736,-2.372061487,132.9794107,7.822318276,8.313330326,170.5910535,85.29552674,138.2023922,170.5910535,10.03476785,85.29552674,-5.68E-14,0.247751194,0.0145736,-2.372061487,132.9794107,7.822318276,8.313330326,203.4940101,101.186978,166.4746893,203.2918571,11.95834453,101.186978,-0.312418301,0.316440497,0.018614147,-1.956054101,186.9242882,10.99554637,8.89219622,0,11.85,12.15022023,-0.210044169,0.090202855,5.127618873,8.757160228,17,45,42,39,11,3,0,0,0,6,30.609796,3.785297619,3.516392895,3.362916605,3.141429735,2.884095951,2.619450938,2.619181914,2.340459558,1.996497564,1.922114351,1.807992659,1.646012009,1.451640277,1.246610264,1.082250302,1.05621104,3.797679725,3.544547584,3.393459241,3.175382995,2.920807948,2.659452214,2.645815032,2.390735111,1.960237592,1.864918405,1.744459924,1.573345737,1.368738501,1.153504627,1.007167592,0.954366471,3.85440003,3.667214944,3.52722178,3.325881031,3.087521214,2.841001388,2.771820215,2.607804617,1.866258962,1.691466582,1.553767084,1.355990001,1.121448394,0.878242746,0.798620231,0.650295376,3.806910359,3.565230146,3.415940029,3.200490707,2.948200678,2.689228684,2.665925019,2.427594278,1.938506018,1.827911554,1.703610955,1.526683975,1.3154881,1.093807216,0.960278991,0.889084684,3.883707683,3.726225564,3.591858055,3.399282675,3.170444859,2.932282195,2.838078588,2.711064068,1.83962989,1.636316172,1.49344165,1.287658166,1.044674756,0.79416404,0.738564276,0.553491134,3.937962326,3.521152127,3.39788068,3.207603048,2.980858128,2.853228984,2.742347174,2.483182226,1.885466937,1.81075869,1.677921167,1.489045084,1.261971688,1.022625313,0.79830241,0.771535816,0,0,0,5,1,1,10,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.612372436,0.649519053,0.219416097,0.27300174,0.255985446,12.18395199,8.431851653,6.121138104,4.440670698,3.219487675,2.332707785,1.272410011,0.837229747,0.716703058,0.495991274,0.340063228,0.23371951,0.160974384,0.111081323,0.079525626,0.055815316,11.45781916,7.471343774,5.064025684,3.411829883,2.284461555,1.519596295,0.895406655,0.570648118,0.673989362,0.43949081,0.28133476,0.179569994,0.114223078,0.072361728,0.055962916,0.038043208,24.58558925,43.42971595,41.15686275,41.64,28.17976287,342.6236551,0.546346428,0.965104799,0.91459695,0.925333333,0.626216953,7.613859002,5.7599,77.373,111.6944582,171.8195343,223.3889164,13.1405245,111.6944582,0.160656774,0.009450398,-3.108424551,137.8107974,8.106517494,8.373998909,369,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,11,0,0,5,0,0,0,0,0,0,0,0,1,0,10,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.35830891,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.942903444,0,2.648340716,0,0,1.942903444,0,0,0,0,0,0,0,0,2.281330912,0,14.02702685,0,0,10.86252576,0,0,0,0,1.495783143,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.495783143,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.36977655,0,0.208356823,0,0,0.36977655,0,0,0,0,0,0,0,0,2.281330912,0,1.260589991,0,0,2.097025697,0,0,0,0,1.495783143,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.240821653,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.410792707,0,0.359305556,0,0,0.410792707,0,0,0,0,0,0,0,0,2.281330912,0,1.450917923,0,0,2.240821653,0,0,0,0,1.495783143,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,28.66666667,1.68627451,0.410792707,2.281330912,0.10875584,1.260589991,11.29361373,0.239410009,0.281330912,2.287713351,0.239410009,0.281330912,2.287713351,8.5,0.5,0,0,0.45111,0.7,0.43333,0.43333,0.7,0.01778,0.01778,0,0,0.71429,0,0,0.05882,0.05882,0,14.5,0.85294,8.5,0.5,6,0.35294,-2.5,-0.14706,0,0,16.79921,0.98819,22.23195,5.43274,0.31957,6.44966,0.37939,8.43185,1.98218,0.1166,-0.01785,-0.00105,0.06815,0.00401,0.133333333,17,0,0,0,0,0,0,0.647058824,0.956457405,2.029841297,2.828974208,3.571355665,4.017659842,4.221602886,43.04058322,91.34285838,127.3038394,160.7110049,180.7946929,189.9721299,0.174159321,0.36960954,0.515121974,0.650300655,0.731567246,0.768702806,4.535395692,3.462011799,2.662878888,1.920497431,1.474193254,1.27025021,0.171255833,0.363447614,0.506534146,0.639459202,0.719370961,0.755887418,6.795811891,15.04642355,19.20627794,22.59179215,24.04306508,24.61739757,66.04131713,50.98385107,40.74348618,31.71248822,27.30804383,25.9100707,15.05882353,11.11111111,8.686980609,11,6,11,3.33,2.2663,0,2.343951249,0.090909091,0,25.5779147,4.643316712,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,8.41,18,19,20,21,16,15,14,13,12,182,3.044522438,3.314186005,3.630985476,3.982015377,4.355907223,3.840795496,3.81908501,3.796892698,3.774196689,3.750973584,6.106187349,2.459478022,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0.588235294,11,0.647058824,1,7,14,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.060408163,0.043402778,0.032753842,0.025625,0.020610142,0.058823529,0.024691358,0.01171875,0.011623932,0.007523148,0.005491651,0.004340278,0.003639316,0.003203125,0.002944306,0.149592446,90.47493499,144.5251347,180.94987,10.64411,90.47493499,0.156763286,0.00922137,-3.15013118,123.758824,7.279930824,8.191168997,0,271.4223625,5.087462841,4.262679877,4.976733742,5.707110265,6.43775165,7.178545484,7.917536354,8.664750756,9.409273195,10.16126439,98.71564571,3.555348061,0,4.672828834,0,5.963579344,0,7.338888134,0,8.761706768,9.044049632,232.2191009,5.160424464,33.70847466,1.982851451,0,0,0,742,16,8.059,70,1.242651194,2.163299068,2.908880626,3.68063138,4.887375448,5.888697457,7.138147018,8.248446169,9.482149745,10.61745529,87.92304104,91.97224811,86.9962457,104.656184,130.7327255,158.3284486,186.5533223,215.2166085,244.5089247,274.6267618,312.8548505,385.6402333,392.3649146,491.5699984,616.4563182,750.6181541,890.1360754,1030.223058,1173.44677,1318.005537,9.077933792,15.50561302,20.47718993,25.94157631,34.31319984,41.3834448,50.10153986,57.9089085,66.53516135,74.51734581,2.307624063,3.094011465,3.324872447,4.209394704,5.329190391,6.485917104,7.728119357,8.948192983,10.21235356,11.46491416,175.7592041,326.4789238,467.0574885,588.0688172,791.2458617,950.1365574,1156.494245,1335.191313,1537.568909,1720.423307,2.683950512,3.967585486,4.617903137,5.777292059,7.453204617,9.107622916,11.03339654,12.90883504,14.97926477,17.09437074,0.476079297,0.648579468,0.705088005,0.893806015,1.134136957,1.379901319,1.645796041,1.905632975,2.175744384,2.442309754,516.1737523,474.1181699,17.84307414,86.64103477,-79.58190176,-5.112894373,429.5327175,553.7000717,22.95596851,0.856272546,0.786507199,0.029599596,0.143727454,-0.132017169,-0.0084817,311.1571705,285.8054436,10.75606894,52.22849692,-47.97314716,-3.082128332,0.067530909,0.071066464,1.644808149,0.630254338,602.814787,0,1,0,1161.455208,34.08012922,10.51156762,1433.75378,37.8649413,11.27608113,2024.767601,44.99741771,12.65100598,3.725406392,3.725406392,6479.474382,6433.298461,202.1629514,1.007177643,32.05075084,31.82234142,7.420789342,9.364340827,17.58574659,0.877948157,8.217626791,11.35801259,6.1480474,51.6139703,19.49983803,4.386312817,9.855508057,12.00412472,34.84456497,3.21608841,4.521236192,30.77916212,6.764704197,32.51590596,4.603325949,3.608345967,15.56308369,8.749944838,22.74833187,4.405694708,5.96787417,7.120085087,7.630240573,6.648281611,4.952480768,4.288572145,5.246866817,3.596749963,2.428826899,2.365715126,0.689758081,11.35753019,0.476116478,12.23462895,1.072921986,1.16749017,1.30010245,1.630764051,9.009622514,0.474193005,1.297373584,2.71224474,1.211881809,6.637458474,1.212124212,0.4098054,1.678653133,1.251482815,3.940505711,0.435906729,0.509541025,1.210446412,1.133417087,1.471775058,0.272621607,0.845549936,1.153548622,1.171462898,0.09661847,0.144039931,2.226356573,11.35756341,1.562576868,15.05715253,2.399840692,1.57596026,2.985529025,2.990250287,12.50867057,0.831669448,1.791702659,7.351510965,1.826997976,10.70100134,1.66879417,0.984837167,3.445637854,2.27355268,6.702837676,1.01125538,1.307171297,1.926829518,1.910501575,2.305608218,0.926674486,1.433748812,1.696746425,1.618871465,0.377725418,0.435563101,7.756776063,11.35795997,5.775591697,47.35807475,17.51054263,4.101326424,9.310202864,11.10094172,32.63523924,2.976698863,4.265951378,28.67539396,6.24139525,30.50047489,4.312390419,3.384989828,14.33557583,8.110994679,21.21601305,4.079542634,5.521740429,6.584990802,7.038271979,6.252559555,4.559426387,4.03725275,4.892858121,3.431420677,2.217085152,2.172406813,3.281183266,11.35760558,2.329568796,18.54335782,4.033554826,1.930164851,4.160608189,4.1485424,15.43751775,1.137104035,2.179658902,10.85980299,2.403159817,13.85238307,2.052222446,1.402696264,4.975468545,3.126163525,8.918800243,1.475981562,1.948704344,2.564065554,2.606971716,2.944163122,1.465095623,1.871554635,2.15643521,1.940149978,0.62858018,0.6837763,9.923949606,11.35823361,7.555723355,69.46663168,27.84314597,5.541329768,11.89899546,15.65265008,43.73744294,4.183660133,5.532207324,39.00621089,8.910483567,40.46770241,5.775142619,4.466607105,20.5366304,11.31995227,28.85432162,5.707670665,7.74684978,9.298079364,10.04257617,8.202956493,6.528771423,5.265124916,6.675025834,4.228027423,3.291116565,3.146507451,4.799140605,9.783789016,3.590666535,24.78100014,7.613640655,2.784470289,5.765894656,6.369889455,18.94532844,1.672205459,2.910593952,15.75492301,3.539780452,17.76775142,2.886010601,2.207222937,7.945258761,4.740775192,12.10813302,2.387819995,3.163761811,3.87422682,4.048524763,4.191249192,2.456123221,2.825682867,3.33009291,2.913068493,1.149731851,1.254738926,27.60588177,1.034523916,0.756866262,0.939062707,0.035191154,0.565339961,0.386446287,0.392618041,29.39727194,50.2359017,101.2484755,0.90859406,1.344404289,28.0760461,0.534960784,0.335913773,0.969914777,0.018480749,0.58453818,0.108717933,0.078095759,28.94692066,24.63041491,58.62262057,0.954872166,0.771351873,27.90021127,0.721397706,0.493568107,0.958270362,0.024777377,0.577312805,0.193128529,0.16786367,29.11517708,34.25386178,73.30315741,0.937405542,0.938305004,27.61868553,1.020881006,0.745421675,0.939890986,0.034741583,0.565857608,0.376693974,0.380904967,29.38498822,49.54394513,99.94638929,0.909836478,1.323456548,27.81739988,0.809383184,0.567704857,0.952830547,0.027723836,0.573928715,0.240967483,0.221688864,29.19448793,38.76649947,80.74282573,0.92924582,1.036585061,27.56537215,1.077699529,0.793072024,0.936446446,0.036611437,0.563704111,0.418099749,0.430836743,29.43614371,52.4232074,105.4192913,0.904669669,1.412640603,27.73314514,1.024109499,0.747286605,0.939961917,0.034710233,0.570534332,0.378332849,0.382445481,29.50454124,49.89168853,100.6204975,0.909942875,1.331312662 +UMLYSI0093,L,"(1,1-dimethylethyl)-benzene",CC(C)(C)C1=CC=CC=C1,aromatic,C10H14,98-06-6,7366,UML,,291.1,0,2.764,7.639696,48.8625,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2258.876942,2063.146019,1416.666559,755.790843,163.574208,9.144576,0,4670.34144,5841.481647,8388.986035,9257.748935,7485.049497,4760.641003,1936.346796,279.7536999,0,169.463656,175.052008,301.268408,387.40718,481.702588,334.931628,206.343936,60.466176,0,34.11358067,43.47862034,64.20345803,75.88457971,67.82517366,45.09756585,21.36556401,4.001516144,0,3856.790689,3411.659229,6348.70826,8106.187886,11366.80668,7906.799802,5165.988309,1664.258868,0,50.34027778,60.25,89.25,117.1666667,117.6666667,81.25,42,9,0,60.70275442,67.17251842,53.78278433,38.20640776,20.53139941,15.74564256,5.4524736,1.016064,0,194.59756,243.3950686,199.7377627,171.4397951,108.4789782,99.1800209,64.54489321,31.08374443,0,7.060985667,7.293833667,7.173057333,7.174207037,6.981196928,6.97774225,6.8781312,6.718464,0,1.421399194,1.811609181,1.528653763,1.405269995,0.982973531,0.939532622,0.712185467,0.444612905,0,160.6996121,142.1524679,151.1597205,150.1145905,164.7363288,164.7249959,172.1996103,184.917652,0,2.097511574,2.510416667,2.125,2.169753086,1.70531401,1.692708333,1.4,1,0,0.053704508,-0.008350903,0.004587263,-0.02328864,-0.012619251,-0.003266101,0.002854561,0.013230817,0,706.2183858,-6.39E-14,206.8210987,-610.374462,27.74429373,-191.6878476,25.22208521,189.1656391,0,1313.243245,2.13E-13,384.5926646,-1135.017376,51.59169891,-356.4517379,46.90154447,351.7615835,0,0.138343333,2.24E-15,0.040514833,-0.119568167,0.005434917,-0.037550333,0.004940833,0.03705625,0,5.870808328,1.36E-14,1.719308153,-5.074055769,0.230638899,-1.593505118,0.209671726,1.572537945,0,31.89032402,-1.08E-13,9.339309176,-27.56235147,1.252834158,-8.65594509,1.138940143,8.542051076,0,5.194155093,-1.583043981,3.100911458,-3.442057292,0.015299479,-1.613136574,-0.317346644,1.242296007,0,0.002237688,-3.48E-04,1.09E-04,-4.31E-04,-1.83E-04,-6.80E-05,9.52E-05,0.001470091,0,29.42576608,-2.66E-15,4.924311874,-11.30323078,0.402091213,-3.993496825,0.840736174,21.01840434,0,54.71846854,8.88E-15,9.156968205,-21.0188403,0.747705781,-7.426077874,1.563384816,39.08462039,0,0.005764306,9.32E-17,9.65E-04,-0.002214225,7.88E-05,-7.82E-04,1.65E-04,0.004117361,0,0.244617014,5.67E-16,0.040935908,-0.093963996,0.003342593,-0.033198023,0.006989058,0.174726438,0,1.328763501,-4.50E-15,0.222364504,-0.510413916,0.018157017,-0.180332189,0.037964671,0.949116786,0,0.216423129,-0.065960166,0.073831225,-0.063741802,2.22E-04,-0.033607012,-0.010578221,0.13803289,0,-0.155497246,0.048809559,-0.192730685,-0.081730659,-0.030408069,0.042522474,0.65696867,0,-9.06E-17,0.167346939,-0.384126984,0.013664596,-0.135714286,0.028571429,0.714285714,0,1.62E-16,0.167346939,-0.384126984,0.013664596,-0.135714286,0.028571429,0.714285714,0,1.62E-14,0.167346939,-0.384126984,0.013664596,-0.135714286,0.028571429,0.714285714,0,2.32E-15,0.167346939,-0.384126984,0.013664596,-0.135714286,0.028571429,0.714285714,0,-3.38E-15,0.167346939,-0.384126984,0.013664596,-0.135714286,0.028571429,0.714285714,0,-0.304774107,0.341142953,-0.294523982,0.001024528,-0.155283828,-0.0488775,0.637791766,0,1.239408888,0.811893886,1.230068907,0.893740584,1.098199622,0.952433814,0.308469542,0,1.15,0.891836735,1.423809524,0.885714286,1.026785714,0.788571429,0,0,1.15,0.891836735,1.423809524,0.885714286,1.026785714,0.788571429,0,0,1.15,0.891836735,1.423809524,0.885714286,1.026785714,0.788571429,0,0,1.15,0.891836735,1.423809524,0.885714286,1.026785714,0.788571429,0,0,1.15,0.891836735,1.423809524,0.885714286,1.026785714,0.788571429,0,0,1.483705643,0.586819676,1.322266169,0.934766865,1.109896385,0.885610829,0,0,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,38.37486009,19.18743005,28.31432369,38.37486009,3.837486009,19.18743007,7.11E-15,0.155490506,0.015549051,-1.861170606,52.8108682,5.28108682,3.966717007,51.01256141,25.17199555,38.17352836,50.92656141,5.092656141,25.17199555,-0.215,0.322160345,0.032216034,-1.132705892,37.60184285,3.760184285,3.627053061,0,11.85,12.1501118,-0.209784842,0.090356042,6.636294998,9.540697499,10,24,21,18,4,3,0,0,0,6,15.304898,3.816440743,3.321824474,2.619181914,2.480282572,2.333552793,2.333552793,0.953184807,0.941428501,2.01079436,1.721444008,1.249629723,1.249629723,1.082250302,0.950449026,0.310513972,0.239930612,3.827816466,3.346908079,2.645815032,2.508422564,2.405454588,2.405454588,1.053336623,1.043091076,1.977938475,1.660851284,1.134540686,1.134540686,1.007167592,0.875463655,0.150156259,0.075242244,3.880159401,3.46141569,2.771820215,2.704236987,2.704236987,2.638910267,1.517793787,1.446259996,1.891139127,1.484979849,0.798620231,0.76031856,0.76031856,0.666187822,0.396843083,0.473017856,3.83631002,3.365630997,2.665925019,2.529531816,2.457539916,2.457539916,1.134811365,1.109915352,1.957986757,1.622339173,1.058262671,1.058262671,0.960278991,0.828656609,0.041902902,0.035557662,3.907304368,3.519230963,2.838982085,2.838982085,2.838078588,2.706120674,1.721464227,1.641901296,1.86649785,1.431813264,0.738564276,0.631337262,0.631337262,0.604855658,0.594311107,0.656533452,3.83686469,3.349618626,2.735205432,2.560250613,2.545054156,2.545054156,1.239419255,1.149307729,1.972665668,1.597415238,0.959151073,0.959151073,0.878261043,0.781295632,0.075442523,0.138774239,0,0,0,5,1,3,0,0,1,0,0,0,0.102062073,0.051031036,0,0,0,0.032075015,0.016037507,1.510362971,0.288675135,0.433012702,0.144337567,1.333333333,0.25,0.25,0.083333333,1.861881719,2.103152481,2.150556853,1.212250449,1.160683603,0.974833632,7.612884175,4.605171716,4.70095927,2.829916587,1.968614081,1.369082439,0.535074775,0.306186218,0.761288418,0.460517172,0.335782805,0.202136899,0.140615291,0.097791603,0.066884347,0.051031036,6.886751346,3.660683603,3.616025404,1.639814472,0.938152853,0.53668078,0.198741682,0.096225045,0.688675135,0.36606836,0.258287529,0.117129605,0.067010918,0.038334341,0.02484271,0.016037507,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.9841,45.142,40.42054828,58.46993254,80.84109655,8.084109655,40.42054828,0.278590457,0.027859046,-1.278012472,37.98302013,3.798302013,3.637139221,78,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,3,0,0,5,0,0,0,0,0,0,0,0,3,0,0,0,0,5,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.95013889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.978611111,0,0.857916667,0,0,1.978611111,0,0,0,0,0,0,0,0,6.673611111,0,0,0,0,10.55199074,0,0,0,0,1.398148148,0,0.292916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.398148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375347222,0,0.285972222,0,0,0.375347222,0,0,0,0,0,0,0,0,2.224537037,0,0,0,0,2.050833333,0,0,0,0,1.398148148,0,0.292916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.419166667,0,0.285972222,0,0,0.419166667,0,0,0,0,0,0,0,0,2.224537037,0,0,0,0,2.166666667,0,0,0,0,1.398148148,0,0.292916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.91666667,1.891666667,0.419166667,2.224537037,0.104166667,0.292916667,6.389439444,0.957083333,0.224537037,2.451203704,0.957083333,0.224537037,2.451203704,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.3,0.1,0.1,11,1.1,5,0.5,6,0.6,1,0.1,0,0,7.4465,0.74465,12.42563,4.97913,0.49791,2.66428,0.26643,4.60517,1.94089,0.19409,0.30883,0.03088,0.39483,0.03948,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.230650273,2.432931647,2.833333333,3.031453646,2.833333333,23.51685016,53.53560655,58.39035953,68,72.7548875,68,0.213713581,0.486514398,0.530632834,0.617962161,0.661173051,0.617962161,3.605093744,2.354312228,2.152030854,1.751629167,1.553508855,1.751629167,0.206076118,0.469127876,0.511669655,0.595878101,0.637544767,0.595878101,6.772325919,15.75249458,18.17987107,20.76117905,20.96084966,18.58340591,37.92632204,30.31952535,26.51052282,22.56441094,22.01253125,25.32380937,8.1,2.93877551,2.285714286,4,6,3,2.56,1.28,1.5,4.02369228,1.5,3,6.083643419,3.041821709,1.850535862,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.184,0.171,0.474,0.643,4.505,14,14,14,14,8,6,0,0,0,90,2.63905733,3.157000421,3.548179572,3.944006051,4.342993404,3.840795496,3.840795496,0,0,0,5.696883733,3.299305556,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,5,0.666666667,3,1.333333333,0.6875,0.248888889,0.1875,0,0,0,0,0,0.3,0.095238095,0.0625,0.035555556,0.0625,0,0,0,0,0,0.555793651,23.37727465,34.54807559,46.75454929,4.675454929,23.37727465,0.032427167,0.003242717,-3.428758735,56.28586604,5.628586604,4.030443456,0,150.3504702,4.321928095,3.891820298,4.65396035,5.509388337,6.300785795,7.153833802,7.954723334,8.804925263,9.609988595,10.45826307,84.33768885,3.044522438,0,4.343805422,0,5.843544417,0,7.419979924,0,9.031333316,9.257128533,134.1095504,5.587897935,19.29949945,1.929949945,0,0,0,114,11,3.854,48,1.236512656,2.163579757,3.017039332,3.631564835,4.385138938,5.439742824,6.224299214,0,0,0,92.91185031,128.2228326,119.9043185,85.33572729,76.38277317,29.42691151,6.324286356,0,0,0,323.9803594,463.9994136,530.5052347,423.5071962,467.9632868,349.3491661,193.474526,0,0,0,9.050443239,15.58351653,21.67504464,25.41476129,30.72202289,37.40687399,41.81773019,0,0,0,2.364973853,3.495603645,4.320802798,3.746439119,4.358514005,3.860044284,2.767403754,0,0,0,173.8105839,322.5613406,450.7295741,593.8576646,712.7308269,937.3899542,1150.982796,0,0,0,3.172198876,4.798039684,6.628770119,6.38604629,7.748985559,7.594619115,6.224299214,0,0,0,0.486961494,0.724918253,0.90751501,0.800572679,0.93775659,0.853540643,0.637368239,0,0,0,268.4510557,140.566157,10.43332968,81.76649379,-42.81451519,-4.824606727,186.684562,183.3806722,15.25793641,0.766526566,0.401368113,0.029790996,0.233473434,-0.122251199,-0.013776028,94.01627091,49.22873506,3.653935154,28.63606109,-14.9943946,-1.689661945,0.118494841,0.117912504,1.475819255,1.594521369,350.2175495,0,1,0,726.8842238,26.96079049,8.991284665,863.5642905,29.38646441,9.522805011,1311.356274,36.21265351,10.94561663,1.60706476,1.60706476,576.4648566,491.5977576,193.0437467,1.172635244,2.986187672,2.546561419,4.217577998,3.785524729,6.668902549,0.76168511,4.313020202,4.901504018,4.951383489,15.51913342,3.941262212,6.928674604,8.601558586,6.354044017,5.436797567,7.020040549,4.262128814,2.597706692,6.85E-05,2.40E-30,1.89E-77,3.26E-146,1.19E-236,0,0,0,0,0,0,0,0,0,0,0,0,0,0.362071417,4.71949345,0.341577251,8.151651371,1.122454199,1.706385188,1.315663346,1.032566293,1.428488606,0.477069691,0.233553798,0.018295861,4.82E-07,1.69E-32,1.33E-79,2.29E-148,8.38E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,1.168544138,4.731656172,1.150744895,9.279146482,1.42825335,2.721594977,2.209102329,1.962072614,2.047165515,1.613887652,0.83573763,0.190656974,5.03E-06,1.76E-31,1.38E-78,2.39E-147,8.73E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.071145892,4.881520999,4.622550779,14.93495597,3.673328452,6.591008755,7.945466005,5.972824361,5.120833715,6.549176267,3.937626145,2.314509894,6.10E-05,2.14E-30,1.68E-77,2.90E-146,1.06E-236,0,0,0,0,0,0,0,0,0,0,0,0,0,1.722162424,4.747425403,1.745344914,10.1648871,1.718218661,3.433579577,2.998722063,2.646683193,2.531104805,2.453288121,1.314480358,0.414132424,1.09E-05,3.82E-31,3.01E-78,5.19E-147,1.90E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,5.208571964,4.985529826,6.221840683,17.83325631,5.041583932,8.199292661,11.26927612,7.828479731,6.686805568,8.843268836,5.552038706,3.788511073,9.99E-05,3.50E-30,2.75E-77,4.75E-146,1.74E-236,0,0,0,0,0,0,0,0,0,0,0,0,0,2.410643042,3.534666369,2.266910736,10.89242326,2.21471783,4.417246455,4.140326941,3.34125037,3.291456014,3.514330791,1.930909066,0.725940274,1.91E-05,6.70E-31,5.27E-78,9.10E-147,3.32E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,4.12366197,1.818929157,0.830846445,0.608798993,0.268538558,0.521431158,0.552809754,0.312358577,6.773437573,12.43802971,25.44335483,0.413198489,1.386599489,3.395668697,1.036027113,0.403251987,0.702317551,0.214278862,0.35359309,0.179466598,0.073588333,4.834947798,5.305094981,11.55868522,0.553476327,0.606648021,3.65423338,1.314100723,0.555124647,0.661584262,0.237912653,0.409484473,0.288667263,0.139450613,5.52345875,7.560075442,15.7492598,0.492376393,0.837602349,4.102208255,1.795858152,0.818245633,0.610782857,0.26738754,0.516020414,0.53888676,0.302956648,6.71631204,12.19305121,24.93736585,0.416174285,1.357863822,3.78146531,1.450929719,0.629855831,0.645053479,0.24750386,0.438491512,0.351869355,0.179520461,5.862250861,8.782294921,18.10033823,0.467580218,0.969881328,4.192195772,1.892629032,0.871099584,0.602679894,0.272088787,0.538904787,0.598473735,0.343355296,6.955924388,13.23475978,27.10222471,0.404019841,1.480733818,4.108327135,1.797316822,0.818540213,0.610977783,0.267291433,0.517560963,0.539762557,0.303174818,6.72418417,12.21797253,24.98622936,0.416466674,1.360498337 +UMLYSI0094,L,(1-methylethenyl)-benzene,CC(=C)C1=CC=CC=C1,aromatic,C9H10,98-83-9,7407,UML,,286.4,0,2.3617,5.57762689,44.1649,22.50793,6,6,19,9,10,0,9,0,0,0,0,0,0,0,0,0,1308.537729,1419.447969,1772.575907,1568.797281,985.730093,482.32733,94.910256,5.08032,0,4122.48956,4959.018279,6504.070143,6460.192654,4837.890897,2941.087982,1113.993759,155.4187222,0,135.049284,139.040964,216.584012,251.326404,254.357492,202.46708,117.008064,33.59232,0,29.54622905,36.2355431,49.15951627,51.37652644,41.77505956,27.61631951,12.24093922,2.223064524,0,2990.325725,2672.374682,4431.246741,5249.515863,5698.721803,4769.438752,2921.034354,924.5882601,0,48.55555556,55.77777778,75.33333333,86,76.33333333,53.66666667,25,5,0,68.87040679,74.70778784,59.08586357,44.82277946,27.38139147,16.6319769,5.582956235,1.016064,0,216.9731347,261.0009621,216.8023381,184.576933,134.3858582,101.416827,65.52904464,31.08374443,0,7.107857053,7.317945474,7.219467067,7.1807544,7.065485889,6.981623448,6.882827294,6.718464,0,1.555064687,1.907133847,1.638650542,1.467900755,1.160418321,0.95228688,0.720055248,0.444612905,0,157.3855645,140.651299,147.7082247,149.9861675,158.2978279,164.4634052,171.8255502,184.917652,0,2.555555556,2.935672515,2.511111111,2.457142857,2.12037037,1.850574713,1.470588235,1,0,0.058214249,-0.007081729,-0.008270057,-0.010135345,-0.015558531,-0.003307381,0.003463876,0.011782042,0,573.4705689,3.91E-13,24.81685503,-253.5343568,-194.5104854,-59.69459724,60.36532305,135.8219769,0,1066.393011,-2.84E-14,46.14800165,-471.4579628,-361.7005534,-111.0046526,112.2518959,252.5667658,0,0.112338947,9.37E-16,0.004861452,-0.04966564,-0.038103269,-0.011693762,0.011825152,0.026606593,0,4.767272928,8.22E-15,0.206303039,-2.107636452,-1.616969765,-0.496242445,0.501818203,1.129090957,0,25.89590221,5.55E-14,1.120641382,-11.44871466,-8.783405427,-2.695596838,2.725884443,6.133239997,0,6.304093567,-1.883040936,0.876577408,-1.694675285,-1.18436442,-0.645429363,0.172360726,1.206525085,0,0.003063908,-3.73E-04,-2.76E-04,-2.90E-04,-4.32E-04,-1.14E-04,2.04E-04,0.002356408,0,30.18266152,2.06E-14,0.827228501,-7.243838766,-5.403069038,-2.058434387,3.550901356,27.16439537,0,56.12594795,-1.50E-15,1.538266722,-13.47022751,-10.0472376,-3.827746642,6.6030527,50.51335315,0,0.005912576,4.93E-17,1.62E-04,-0.001419018,-0.001058424,-4.03E-04,6.96E-04,0.005321319,0,0.250909101,4.32E-16,0.006876768,-0.060218184,-0.044915827,-0.017111808,0.029518718,0.225818191,0,1.362942221,2.92E-15,0.037354713,-0.327106133,-0.243983484,-0.092951615,0.160346144,1.226647999,0,0.331794398,-0.099107418,0.029219247,-0.048419294,-0.032899012,-0.022256185,0.010138866,0.241305017,0,-0.121649411,-0.089972867,-0.094513708,-0.141055615,-0.037222926,0.066502468,0.769085933,0,6.81E-16,0.027407407,-0.24,-0.179012346,-0.068199234,0.117647059,0.9,0,-2.67E-17,0.027407407,-0.24,-0.179012346,-0.068199234,0.117647059,0.9,0,8.34E-15,0.027407407,-0.24,-0.179012346,-0.068199234,0.117647059,0.9,0,1.72E-15,0.027407407,-0.24,-0.179012346,-0.068199234,0.117647059,0.9,0,2.14E-15,0.027407407,-0.24,-0.179012346,-0.068199234,0.117647059,0.9,0,-0.298701299,0.088064317,-0.145931619,-0.099154813,-0.067078242,0.030557678,0.727272727,0,1.104643651,0.950521744,1.071946432,1.094678151,1.022857102,0.844153676,0.111222261,0,1,0.95,1.194285714,1.108333333,0.982758621,0.782352941,0,0,1,0.95,1.194285714,1.108333333,0.982758621,0.782352941,0,0,1,0.95,1.194285714,1.108333333,0.982758621,0.782352941,0,0,1,0.95,1.194285714,1.108333333,0.982758621,0.782352941,0,0,1,0.95,1.194285714,1.108333333,0.982758621,0.782352941,0,0,1.360853432,0.687384045,1.155711635,1.088358071,1.055690615,0.839790462,0,0,30.24126856,15.12063428,22.86798319,30.24126856,3.360140951,15.12063553,5.33E-15,0.145647719,0.01618308,-1.733908009,112.3960733,12.48845259,4.249826102,30.24126856,15.12063428,22.86798319,30.24126856,3.360140951,15.12063553,5.33E-15,0.145647719,0.01618308,-1.733908009,112.3960733,12.48845259,4.249826102,30.24126856,15.12063428,22.86798319,30.24126856,3.360140951,15.12063553,5.33E-15,0.145647719,0.01618308,-1.733908009,112.3960733,12.48845259,4.249826102,30.24126856,15.12063428,22.86798319,30.24126856,3.360140951,15.12063553,5.33E-15,0.145647719,0.01618308,-1.733908009,112.3960733,12.48845259,4.249826102,30.24126856,15.12063428,22.86798319,30.24126856,3.360140951,15.12063553,5.33E-15,0.145647719,0.01618308,-1.733908009,112.3960733,12.48845259,4.249826102,30.24126856,15.12063428,22.86798319,30.24126856,3.360140951,15.12063553,5.33E-15,0.145647719,0.01618308,-1.733908009,112.3960733,12.48845259,4.249826102,37.64057987,18.57745392,28.76185633,37.52157883,4.169064315,18.57745396,-0.234567901,0.215022191,0.023891355,-1.383312638,48.94500308,5.438333676,3.501627554,0,11.85,12.15009716,-0.207815487,0.092363376,6.11982997,8.939130402,9,19,15,12,2,4,1,0,0,7,10.93207,3.804776795,3.254951238,2.619181914,2.463086459,2.21554116,0.941428501,0.914745091,0.613457882,1.98247118,1.629352816,1.130459257,1.082250302,0.923134677,0.310513972,0.239256156,0.057730812,3.815386014,3.276727469,2.645815032,2.494283795,2.281593069,1.053336623,1.010013464,0.747084076,1.95307294,1.568324108,1.022339479,1.007167592,0.840964264,0.150156259,0.074106808,0.188289222,3.863927027,3.37868847,2.771820215,2.658071085,2.539864981,1.517793787,1.435271045,1.244946781,1.874045222,1.4002507,0.798620231,0.697959756,0.582681465,0.396843083,0.481232957,0.672526932,3.823294257,3.293102619,2.665925019,2.518374517,2.328943319,1.134811365,1.080975787,0.8408986,1.935073452,1.53039183,0.960278991,0.951717215,0.788367711,0.041902902,0.037206907,0.279140427,3.888896838,3.431976781,2.838078588,2.759306923,2.639315946,1.721464227,1.636552971,1.438148296,1.851304692,1.351895182,0.738564276,0.611254524,0.480879937,0.594311107,0.672047311,0.867313386,3.793314214,3.366885324,2.666259176,2.494123211,2.483527434,1.189180732,1.106051383,0.881422678,1.965132733,1.487517931,0.941198331,0.893015278,0.694289365,0.031212968,0.106777493,0.29876266,0,0,1,5,2,1,0,0,0,0,0,0,0.102062073,0.058925565,0,0,0,0.032075015,0.016037507,0.5,0,0.166666667,0,0.260110029,0,0.058925565,0,1.040440115,1.054737854,1.040440115,0.442608089,0.36545089,0.295072059,6.690234444,4.304530453,3.642107032,2.592638956,1.800833459,1.250443623,0.451184464,0.23570226,0.743359383,0.478281161,0.331100639,0.216053246,0.150069455,0.104203635,0.075197411,0.058925565,5.593858127,3.014236993,2.14635549,1.266588348,0.722670649,0.412272072,0.126914281,0.054755476,0.621539792,0.334915221,0.195123226,0.105549029,0.060222554,0.034356006,0.02115238,0.013688869,11.70913902,18.43918427,17.62745098,17.8,12.99277246,142.1120539,0.616270475,0.970483383,0.927760578,0.936842105,0.683830129,7.479581784,2.53699,40.088,36.08872406,51.75280153,72.17744812,8.019716458,36.08872406,0.19041988,0.021157764,-1.492671377,35.89962077,3.988846752,3.222654059,69,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,5,0,0,1,0,6,0,0,0,0,0,0,0,0,1,1,0,0,0,5,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.32407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,2.191805556,0,0,0.37625,0,2.614027778,0,0,0,0,0,0,0,0,2.009259259,3.82537037,0,0,0,10.15787037,0,0,0,1.120925926,1.219907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.120925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,0.434375,0,0,0.37625,0,0.422222222,0,0,0,0,0,0,0,0,2.009259259,3.82537037,0,0,0,2.006388889,0,0,0,1.120925926,1.219907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.82537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,0.443055556,0,0,0.37625,0,0.443055556,0,0,0,0,0,0,0,0,2.009259259,3.82537037,0,0,0,2.05787037,0,0,0,1.120925926,1.219907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.33333333,2.037037037,0.443055556,3.82537037,0.1875,1.120925926,5.207601944,0.545740741,0.82537037,1.985,0.545740741,0.82537037,1.985,4.5,0.5,0,0,0.48947,0.7,0.43333,0.43333,0.7,0.05614,0.05614,0,0,0.71429,0,0,0.22222,0.22222,0,12,1.33333,4.5,0.5,7.5,0.83333,3,0.33333,0,0,4.08202,0.45356,9.97476,5.89274,0.65475,1.74198,0.19355,4.30452,2.56254,0.28473,0.10948,0.01216,0.19548,0.02172,0.315789474,9,0,0,0,0,0,0,0.111111111,0.998000884,2.352347912,2.925853015,3.326360408,3.576617645,3.260828171,18.96201679,44.69461032,55.59120728,63.20084775,67.95573525,61.95573525,0.234938304,0.553763666,0.688771879,0.783054889,0.841967673,0.767628016,3.24992663,1.895579602,1.322074499,0.921567105,0.671309869,0.987099342,0.220622795,0.520021155,0.646802905,0.735340964,0.790664012,0.720854097,6.618775012,17.77235842,21.15899828,23.15643994,23.40865545,19.61918176,32.44785067,25.54762712,21.51626379,18.80290192,18.21222283,22.78462551,7.111111111,3.239669421,2,3,8,3,2.45,1.0961,0.5,2.68246152,2.828427125,0,6.083643419,4.745102806,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.152,0.148,0.569,0.799,4.288,11,12,12,12,6,4,0,0,0,75,2.63905733,3.113515309,3.548179572,3.944006051,4.342993404,3.840795496,3.840795496,0,0,0,5.690148283,3.9325,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,2,0.222222222,0,3,5,0.666666667,1.5,0.888888889,0.4375,0.191111111,0.125,0,0,0,0,0,0.166666667,0.080808081,0.048611111,0.038222222,0.0625,0,0,0,0,0,0.396808081,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,0,130.4180268,4.169925001,3.713572067,4.465908119,5.252273428,6.02827852,6.816735881,7.598399329,8.386400901,9.169830829,9.957265258,79.38866433,2.944438979,0,4.143134726,0,5.556828062,0,7.055312843,0,8.590257762,8.836955157,118.0782503,6.214644754,17.52861439,1.947623821,0,0,0,88,9,3.329,40,1.226594934,2.17149231,3.029353162,3.803415874,4.476847341,5.520399395,6.314412047,0,0,0,100.1217143,137.6362631,139.0139582,113.3304966,80.9073107,30.57285621,6.415846762,0,0,0,339.9685791,495.0754372,570.5369258,532.6257916,483.7421473,359.8813246,196.2755703,0,0,0,9.00330732,15.72254536,21.78757322,26.90259335,31.36855816,37.98705555,42.42315002,0,0,0,2.446851718,3.69937716,4.522887396,4.53033498,4.479022653,3.960077667,2.807469083,0,0,0,170.831694,317.6136194,451.7491714,600.2247934,727.4873368,949.254586,1167.64625,0,0,0,3.696337469,5.636954039,7.544609854,8.206421857,8.650120089,8.115319972,6.314412047,0,0,0,0.502468334,0.765631585,0.945862162,0.960291335,0.96288988,0.875000222,0.646595794,0,0,0,250.9967597,125.6966531,12.52300693,95.79259235,-47.97196692,-6.204735249,155.2041673,173.66862,18.72774218,0.723772971,0.362458225,0.036111279,0.276227029,-0.138331718,-0.017891943,87.04300364,43.59026089,4.342845458,33.21985103,-16.63616732,-2.151736116,0.12450695,0.190106629,2.556035656,4.149146392,346.789352,0,1,0,701.7521784,26.49060547,8.886442255,800.1087252,28.28619319,9.283598196,1179.609381,34.34544193,10.56605189,1.936874232,1.936874232,469.4029498,393.6333783,136.725171,1.192487669,3.433186051,2.879011783,3.951687971,3.785524729,7.066029032,0.866591698,3.360756864,2.013170614,4.256793929,8.96112246,1.523967104,9.438767465,6.073077612,7.429369482,6.172247167,3.352107493,6.388965306,0.572775451,1.346652765,6.62E-09,1.31E-38,4.98E-90,3.66E-163,5.18E-258,0,0,0,0,0,0,0,0,0,0,0,0,0.282176059,2.013108982,0.313273932,2.915033183,1.303112941,2.889822545,1.425700795,1.023699271,1.32330264,0.181889848,0.200415802,0.004034104,0.009484586,4.66E-11,9.21E-41,3.51E-92,2.58E-165,3.65E-260,0,0,0,0,0,0,0,0,0,0,0,0,0.910580034,2.013113326,1.038802361,3.688290406,1.348193979,3.936968567,2.17136575,1.943145586,2.199396813,0.652679405,0.868212284,0.042038478,0.098836694,4.86E-10,9.60E-40,3.65E-91,2.68E-164,3.80E-259,0,0,0,0,0,0,0,0,0,0,0,0,3.172288353,2.013163927,3.987275439,8.427941662,1.510446569,8.935383098,5.716766689,6.899926425,5.835182471,3.09565306,5.799467432,0.510332615,1.19984337,5.90E-09,1.16E-38,4.44E-90,3.26E-163,4.62E-258,0,0,0,0,0,0,0,0,0,0,0,0,1.341959663,2.013118754,1.560438722,4.355951614,1.379140699,4.741799592,2.743505498,2.68954788,2.834561581,1.028214572,1.503425684,0.091313191,0.214686506,1.06E-09,2.08E-39,7.94E-91,5.83E-164,8.26E-259,0,0,0,0,0,0,0,0,0,0,0,0,4.05857093,2.013198681,5.286603917,11.12037467,1.574027564,11.41891184,7.473862189,9.545544154,7.465908027,4.372466071,8.810775717,0.835339165,1.963966498,9.66E-09,1.91E-38,7.26E-90,5.34E-163,7.56E-258,0,0,0,0,0,0,0,0,0,0,0,0,1.793674535,1.722190538,1.786700249,5.053667726,1.521895284,5.138128075,3.037706014,3.411613774,3.266179361,1.323102441,2.052189236,0.13803415,0.324532187,1.60E-09,3.15E-39,1.20E-90,8.82E-164,1.25E-258,0,0,0,0,0,0,0,0,0,0,0,0,4.318367076,1.664756649,0.542450797,0.661760441,0.255112656,0.56122372,0.541145656,0.330612122,6.525574523,10.43458054,20.85985028,0.492640662,1.432981498,3.126943482,0.900753669,0.259235275,0.729412823,0.210116134,0.29461792,0.156483592,0.06984698,4.286932427,3.860726995,8.877823005,0.594119234,0.520948492,3.520846504,1.154145963,0.353423766,0.700189949,0.229524747,0.373239556,0.258679965,0.134643575,5.028416234,5.715824226,12.18040295,0.550284923,0.766563097,4.27935586,1.63984819,0.533241015,0.663214613,0.254143689,0.551129099,0.525022219,0.319020018,6.452445066,10.17385634,20.36831701,0.49482192,1.395171336,3.725927259,1.285745183,0.402205899,0.688217766,0.237490594,0.417891239,0.321757072,0.176777017,5.413878341,6.806317244,14.14700036,0.53232665,0.916425328,4.444768487,1.745419656,0.572271372,0.657270994,0.258104267,0.594568164,0.59499347,0.369583499,6.762459514,11.30045374,22.50258671,0.485906491,1.559145133,4.280336121,1.639588981,0.534230648,0.663190708,0.254036166,0.551385945,0.525714641,0.321422083,6.454155751,10.18059737,20.3839795,0.494786062,1.398522669 +UMLYSI0095,L,n-nonylbenzene,CCCCCCCCCC1=CC=CC=C1,aromatic,C15H24,1081-77-2,14126,PubChem,,283.2,0,-0.6945,0.48233025,60.881,42.403032,6,6,39,15,24,0,15,0,0,0,0,0,0,0,0,0,2188.347351,2454.531927,2864.2216,2627.341262,2158.227635,1939.288858,1742.532129,1545.7754,1349.018671,7098.763393,9106.432319,12281.33935,12503.03988,10888.27933,9714.175239,8707.376894,7700.578549,6693.780204,274.350876,283.930908,514.8448,695.39756,651.423116,587.73988,524.85498,461.97008,399.08518,52.50420972,68.55856344,99.6226359,108.276473,96.56914002,86.20974835,77.1882195,68.16669064,59.14516178,6339.93899,5576.856486,10953.31852,15998.7515,15159.00079,13743.63585,12264.68069,10785.72554,9306.770382,68.77777778,83.91666667,131.8333333,156.25,141,126.5833333,114.3333333,102.0833333,89.83333333,56.11147054,62.93671608,39.78085556,26.53880063,23.20674876,23.08677212,23.23376172,23.42083939,23.66699423,182.0195742,233.4982646,170.5741577,126.2933321,117.0782723,115.6449433,116.0983586,116.6754326,117.4347404,7.034637846,7.280279692,7.150622222,7.024217778,7.004549634,6.996903333,6.9980664,6.999546667,7.001494386,1.346261788,1.757911883,1.383647721,1.093701747,1.03837785,1.026306528,1.02917626,1.032828646,1.037634417,162.5625382,142.9963202,152.1294238,161.6035506,163.0000085,163.6147125,163.5290759,163.4200839,163.2766734,1.763532764,2.151709402,1.831018519,1.578282828,1.516129032,1.506944444,1.524444444,1.546717172,1.576023392,0.077654353,-0.001062082,-0.032208686,-0.011845509,-0.004270758,0.006787321,8.74E-04,-4.98E-05,-6.76E-05,1117.532391,-1.53E-12,-358.8998255,-24.35647518,-75.93489322,14.32733834,11.46187067,8.596403006,5.730935337,2078.099201,-1.56E-13,-667.3895511,-45.29190566,-141.2041765,26.64229745,21.31383796,15.98537847,10.65691898,0.218916923,3.30E-15,-0.070306012,-0.004771266,-0.014875124,0.002806627,0.002245302,0.001683976,0.001122651,9.290070322,1.82E-14,-2.983541815,-0.202475892,-0.631248368,0.119103466,0.095282773,0.071462079,0.047641386,50.46380943,-5.92E-13,-16.20664649,-1.099852257,-3.428951154,0.646971916,0.517577533,0.388183149,0.258788766,5.527065527,0.714387464,0.058294981,0.343688363,-0.652859961,-0.162995836,-0.265724304,-0.368452772,-0.47118124,0.001991137,-2.72E-05,-4.47E-04,-1.20E-04,-4.59E-05,8.08E-05,1.16E-05,-7.54E-07,-1.19E-06,28.65467669,-3.92E-14,-4.984719799,-0.246025002,-0.816504228,0.170563552,0.152824942,0.13024853,0.100542725,53.2845949,-4.01E-15,-9.269299321,-0.457493997,-1.518324478,0.317170208,0.284184506,0.242202704,0.186963491,0.005613254,8.46E-17,-9.76E-04,-4.82E-05,-1.60E-04,3.34E-05,2.99E-05,2.55E-05,1.97E-05,0.238206931,4.65E-16,-0.041438081,-0.002045211,-0.006787617,0.001417898,0.001270437,0.001082759,8.36E-04,1.293943832,-1.52E-14,-0.225092312,-0.011109619,-0.036870443,0.007702047,0.006901034,0.005881563,0.004540154,0.141719629,0.018317627,8.10E-04,0.0034716,-0.00702,-0.001940427,-0.003542991,-0.005582618,-0.008266338,-0.013677043,-0.224667016,-0.060092092,-0.023063266,0.040580548,0.005850731,-3.79E-04,-5.96E-04,-1.37E-15,-0.173958333,-0.008585859,-0.028494624,0.005952381,0.005333333,0.004545455,0.003508772,-7.52E-17,-0.173958333,-0.008585859,-0.028494624,0.005952381,0.005333333,0.004545455,0.003508772,1.51E-14,-0.173958333,-0.008585859,-0.028494624,0.005952381,0.005333333,0.004545455,0.003508772,1.95E-15,-0.173958333,-0.008585859,-0.028494624,0.005952381,0.005333333,0.004545455,0.003508772,-1.17E-14,-0.173958333,-0.008585859,-0.028494624,0.005952381,0.005333333,0.004545455,0.003508772,0.129252577,0.005713058,0.024496251,-0.04953442,-0.01369201,-0.025,-0.039391987,-0.058328812,1.221060156,1.243052367,0.955692952,0.916355368,0.837172659,0.878772171,0.910981785,0.946510495,1.266666667,1.286458333,0.977188552,0.973835125,0.931150794,0.933111111,0.935606061,0.938888889,1.266666667,1.286458333,0.977188552,0.973835125,0.931150794,0.933111111,0.935606061,0.938888889,1.266666667,1.286458333,0.977188552,0.973835125,0.931150794,0.933111111,0.935606061,0.938888889,1.266666667,1.286458333,0.977188552,0.973835125,0.931150794,0.933111111,0.935606061,0.938888889,1.266666667,1.286458333,0.977188552,0.973835125,0.931150794,0.933111111,0.935606061,0.938888889,1.101804124,0.980095576,0.847832709,0.872755238,0.835534794,0.889963918,0.959237348,1.050386598,127.7946838,63.8973419,103.5006829,127.7946838,8.519645587,63.8973419,-1.07E-13,0.27597982,0.018398655,-1.931141296,119.0327495,7.935516633,7.169097992,127.7946838,63.8973419,103.5006829,127.7946838,8.519645587,63.8973419,-1.07E-13,0.27597982,0.018398655,-1.931141296,119.0327495,7.935516633,7.169097992,127.7946838,63.8973419,103.5006829,127.7946838,8.519645587,63.8973419,-1.07E-13,0.27597982,0.018398655,-1.931141296,119.0327495,7.935516633,7.169097992,127.7946838,63.8973419,103.5006829,127.7946838,8.519645587,63.8973419,-1.07E-13,0.27597982,0.018398655,-1.931141296,119.0327495,7.935516633,7.169097992,127.7946838,63.8973419,103.5006829,127.7946838,8.519645587,63.8973419,-1.07E-13,0.27597982,0.018398655,-1.931141296,119.0327495,7.935516633,7.169097992,127.7946838,63.8973419,103.5006829,127.7946838,8.519645587,63.8973419,-1.07E-13,0.27597982,0.018398655,-1.931141296,119.0327495,7.935516633,7.169097992,154.3567046,76.65313409,126.520347,154.1851491,10.27900994,76.65313409,-0.285925926,0.354266677,0.023617778,-1.556557987,143.9924477,9.59949651,7.454641277,0,11.85,12.15018815,-0.210044169,0.090168878,5.129498135,8.753474288,15,39,36,33,9,3,0,0,0,6,26.236968,3.785291716,3.493099484,3.286060159,3.004307203,2.702122778,2.619181914,2.389172823,2.042568668,1.996086964,1.903120151,1.752165096,1.543090424,1.304557863,1.082250302,1.076155408,0.895743654,3.79767241,3.521568762,3.317838776,3.039698576,2.739818232,2.645815032,2.436414624,2.107612852,1.960052182,1.845397441,1.685436087,1.464814429,1.214582063,1.007167592,0.97647132,0.786236737,3.854379373,3.645636832,3.457570562,3.198932031,2.913183091,2.771820215,2.641662119,2.383182945,1.866232978,1.670162236,1.485375288,1.231117166,0.94901457,0.798620231,0.68222255,0.435468221,3.806901752,3.542485522,3.341265376,3.066018446,2.768026625,2.665925019,2.471091969,2.155114302,1.938390598,1.808041963,1.642550587,1.414547438,1.156930029,0.960278991,0.912803396,0.714345153,3.883670969,3.705306367,3.525300404,3.277515644,3.001077944,2.838078588,2.740491225,2.508934115,1.839614271,1.614385476,1.422216134,1.158199772,0.868205211,0.738564276,0.590026297,0.315391972,3.922046011,3.49345634,3.326743545,3.082810189,2.837426526,2.813698575,2.524356987,2.205922145,1.891657826,1.794731406,1.617881554,1.372748875,1.095275225,0.82959172,0.78575163,0.611851709,0,0,0,5,1,1,8,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.612372436,0.649519053,0.219416097,0.27300174,0.255985446,10.76973842,7.431851653,5.414031323,3.940670698,2.865934284,2.082707785,1.095633315,0.712229747,0.717982562,0.495456777,0.338376958,0.231804159,0.159218571,0.109616199,0.078259523,0.054786904,10.0436056,6.471343774,4.356918903,2.911829883,1.930908164,1.269596295,0.71862996,0.445648118,0.669573706,0.431422918,0.272307431,0.171284111,0.107272676,0.066820858,0.051330711,0.034280624,21.50193365,37.65404224,35.70588235,36.12,24.58265389,296.5671449,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,4.9797,68.139,89.05643653,136.173997,178.1128731,11.87419154,89.05643653,0.170713734,0.011380916,-2.651650789,110.6807426,7.378716176,7.059974797,279,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,9,0,0,5,0,0,0,0,0,0,0,0,1,0,8,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.3206662,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.957230468,0,2.230211465,0,0,1.957230468,0,0,0,0,0,0,0,0,2.273217199,0,11.07278327,0,0,10.82894565,0,0,0,0,1.491720548,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.491720548,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.372991952,0,0.211583744,0,0,0.372991952,0,0,0,0,0,0,0,0,2.273217199,0,1.258549383,0,0,2.091516097,0,0,0,0,1.491720548,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.233217199,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.413179328,0,0.359305556,0,0,0.413179328,0,0,0,0,0,0,0,0,2.273217199,0,1.433164368,0,0,2.233217199,0,0,0,0,1.491720548,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,25.66666667,1.711111111,0.413179328,2.273217199,0.112558067,1.258549383,9.855310225,0.241450617,0.273217199,2.204325701,0.241450617,0.273217199,2.204325701,7.5,0.5,0,0,0.45385,0.7,0.43333,0.43333,0.7,0.02051,0.02051,0,0,0.71429,0,0,0.06667,0.06667,0,13.5,0.9,7.5,0.5,6,0.4,-1.5,-0.1,0,0,13.60053,0.9067,18.84122,5.24069,0.34938,5.44966,0.36331,7.43185,1.98218,0.13215,-0.01785,-0.00119,0.06815,0.00454,0.153846154,15,0,0,0,0,0,0,0.6,0.961236605,2.116648676,2.976888761,3.760172899,4.160420091,4.166133387,37.48822758,82.54929838,116.0986617,146.6467431,162.2563836,162.4792021,0.181866311,0.400470691,0.563228424,0.711426064,0.787152977,0.788233935,4.324165614,3.168753543,2.308513458,1.525229319,1.124982128,1.119268832,0.17826039,0.39253043,0.552061114,0.697320392,0.771545843,0.772605368,6.796774065,15.66765343,20.16953903,23.66743571,24.63451613,23.7256371,58.06266587,44.02101245,33.84580187,25.4036954,22.88883244,24.63927622,13.06666667,9.2421875,6.975778547,9,6,9,3.11,1.9845,0,2.304613957,0.111111111,0,21.45972453,4.749617114,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,7.412,16,17,18,19,14,13,12,11,10,160,2.944438979,3.238678452,3.576550269,3.944006051,4.329910634,3.796892698,3.774196689,3.750973584,3.727198318,3.702843994,6.055905407,2.66015625,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0.533333333,9,0.6,1,6,12,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.060408163,0.043402778,0.032753842,0.025625,0.020610142,0.066666667,0.027777778,0.013392857,0.013737374,0.009027778,0.006712018,0.005425347,0.00467912,0.004270833,0.004122028,0.169724411,68.83980427,109.6361671,137.6796085,9.178640569,68.83980427,0.170231113,0.011348741,-2.655897411,99.71121164,6.647414109,6.903417187,0,236.8303933,4.906890596,4.143134726,4.859812404,5.59471138,6.329720906,7.075808864,7.819636302,8.572249397,9.321613374,10.07882645,93.79551381,3.433987204,0,4.553876892,0,5.855071922,0,7.243512975,0,8.679482094,8.95751051,204.1878008,5.235584635,29.70838185,1.98055879,0,0,0,498,14,6.921,62,1.241571891,2.163692827,2.914538115,3.691293555,4.871471446,5.865667356,7.092481168,8.194907799,9.391698363,10.49824811,88.80019432,94.37050601,88.74842895,104.9355846,130.8655344,158.7181685,187.2879471,216.64904,246.9860455,279.2162582,314.8109839,391.4820453,398.6354027,493.2012601,616.224998,750.3511242,890.4363042,1031.648837,1177.023836,1325.731015,9.073100288,15.51736146,20.53347433,26.01830399,34.20629052,41.22678715,49.79657241,57.55155202,65.93812003,73.73420494,2.317707542,3.12666188,3.367957484,4.223692024,5.323229748,6.476189452,7.716754704,8.939724209,10.20823907,11.47551568,175.4165895,325.9576914,466.7236837,589.6424284,788.3188197,946.060192,1147.948103,1325.191667,1520.133166,1697.223739,2.749904436,4.062045835,4.727415142,5.882402818,7.557515668,9.26361519,11.26148275,13.26729118,15.55061925,18.05509231,0.47799265,0.654905914,0.713784974,0.896840324,1.132709143,1.37756256,1.642824494,1.903043852,2.173490627,2.442411179,454.4974817,369.2385529,16.20689812,85.50888332,-69.46831965,-5.05282592,368.9885984,438.7068726,21.25972404,0.841652083,0.683767038,0.030012421,0.158347917,-0.12864352,-0.009356975,245.431533,199.3911688,8.751828142,46.17534126,-37.51333478,-2.728558158,0.076351525,0.080348881,1.859646395,0.712575633,540.006365,0,1,0,1037.29207,32.20701895,10.12279292,1270.842497,35.64887792,10.83171546,1791.743298,42.32898886,12.14577587,3.370396984,3.370396984,4160.08885,4115.467424,182.0739336,1.010842371,22.84834939,22.60327628,6.705017684,8.108225633,15.14071245,0.867327469,7.102024577,9.460977973,5.555382387,41.66821477,15.55013873,4.386281536,8.266881908,11.72806978,26.1157679,3.154464906,4.520424037,21.68070973,6.543627027,20.58583274,4.603189587,3.604264928,9.46629358,8.729115742,9.098868546,4.271586573,6.227778534,5.993084797,4.65799835,2.134887762,0.922799303,2.385358583,2.151044897,2.067461666,0.285223289,4.58E-06,0.596133317,9.460579785,0.431882613,10.20784375,1.044789298,1.167459145,1.054984316,1.628819062,6.851718206,0.473758931,1.296561432,2.0875183,1.210324743,4.338186546,1.212123251,0.405727424,1.47469653,1.251336111,1.718400847,0.434962194,0.509252963,1.23911122,1.108912835,0.050321246,0.070597429,0.709727475,0.115587821,0.057133802,0.002008852,3.22E-08,1.924124424,9.460607217,1.416157554,12.49474262,2.109146757,1.575929218,2.466202584,2.96998759,9.519455544,0.827146491,1.790890506,5.268399614,1.810772162,6.926511453,1.668784161,0.980758565,2.590422797,2.272023939,2.7213089,1.001412601,1.340351372,1.939948221,1.683182557,0.246679699,0.191915554,1.046556728,0.415918725,0.261116976,0.020933779,3.36E-07,6.703738576,9.460934547,5.219954379,38.27946626,13.99121502,4.101295171,7.80383604,10.85498124,24.48911043,2.921793393,4.265139223,20.19166801,6.044419472,19.33356245,4.312268923,3.380908977,8.794676629,8.092436329,8.468883631,3.960054699,5.758767068,5.606691954,4.387599187,1.926207824,0.852007791,2.280937076,1.985699672,1.871384813,0.254128816,4.08E-06,2.835748687,9.460642037,2.11010412,15.29234468,3.402902994,1.930133786,3.453037339,4.104530863,11.72621969,1.127279703,2.178846749,7.695006519,2.367915181,8.919522937,2.052200705,1.398617233,3.509405153,3.122842899,3.559303919,1.454601732,2.010691566,2.501085932,2.121990575,0.449511816,0.290824899,1.279324263,0.65627668,0.462419843,0.045470962,7.30E-07,8.576698368,9.461160387,6.822040683,55.87608747,22.08390699,5.541298368,10.00578788,15.2500522,32.64645358,4.093788223,5.531395168,27.5227353,8.588063292,25.5149126,5.77494375,4.462525371,12.16006436,11.28957499,11.63370412,5.512086553,8.099350052,7.531995411,5.71948611,2.999578033,1.206050386,2.774074252,2.809496509,2.876338851,0.415971356,6.68E-06,4.08929683,8.044053514,3.195783839,19.82155804,6.044536892,2.704200401,4.754626415,6.092029081,14.08726167,1.602966873,2.826089106,10.97548834,3.362260079,11.31801408,2.802791765,2.140477439,5.282816842,4.59703626,5.085590671,2.27320164,3.324592143,3.692456675,3.213242007,0.866410835,0.510876593,1.998485449,1.180869203,0.895253679,0.097415617,1.56E-06,20.50373727,1.068000094,0.744726993,0.918771762,0.047857047,0.563860603,0.375950508,0.388438028,22.31646435,37.96304841,76.58753948,0.878157642,1.328249139,20.42919886,0.555189969,0.336592489,0.95817348,0.026039607,0.559599972,0.104626489,0.079445497,21.32098132,18.40527395,43.54391632,0.93726022,0.743671958,20.45671266,0.744869353,0.487960252,0.943160183,0.034342327,0.561165777,0.185674936,0.166809412,21.68954227,25.58310763,54.70798246,0.914740275,0.913650124,20.5016657,1.053799403,0.733461984,0.919813934,0.047279055,0.56374138,0.366212494,0.376770694,22.28892708,37.41475728,75.54986874,0.8797209,1.306724567,20.46981878,0.835081019,0.559752734,0.936205995,0.038193199,0.561914444,0.232191729,0.219456344,21.86465254,29.01943304,60.45247481,0.904308993,1.013562518,20.51030731,1.113015312,0.780427577,0.915485449,0.049679866,0.56423904,0.407652039,0.426595108,22.4037502,39.70372336,79.92329756,0.873228174,1.398486186,20.58562779,1.057126623,0.734564896,0.919932701,0.047240986,0.568342286,0.368109035,0.377635173,22.37731931,37.65962283,76.02226073,0.879899051,1.314086494 +UMLYSI0096,L,n-decylbenzene,CCCCCCCCCCC1=CC=CC=C1,aromatic,C16H26,104-72-3,7716,PubChem,,283.2,0,-0.9825,0.96530625,63.7926,45.496618,6,6,42,16,26,0,16,0,0,0,0,0,0,0,0,0,2334.6436,2623.010224,3057.930137,2824.097991,2354.984364,2136.045587,1939.288858,1742.532129,1545.7754,7584.447783,9759.422454,13194.88647,13509.83823,11895.07767,10720.97358,9714.175239,8707.376894,7700.578549,295.32832,305.706688,557.574308,758.28246,714.308016,650.62478,587.73988,524.85498,461.97008,56.18233553,73.57455206,107.310326,117.2980018,105.5906689,95.23127721,86.20974835,77.1882195,68.16669064,6836.56865,6009.895938,11877.52072,17477.70666,16637.95595,15222.591,13743.63585,12264.68069,10785.72554,73.02777778,89.16666667,141.0833333,168.5,153.25,138.8333333,126.5833333,114.3333333,102.0833333,55.58675238,62.45262438,39.20423253,26.14905547,23.088082,22.96823212,23.08677212,23.23376172,23.42083939,180.5820901,232.3672013,169.1652111,125.0910947,116.6184086,115.2792858,115.6449433,116.0983586,116.6754326,7.031626667,7.278730667,7.148388564,7.021133889,7.003019765,6.995965376,6.996903333,6.9980664,6.999546667,1.337674655,1.751775049,1.375773411,1.086092609,1.035202636,1.023992228,1.026306528,1.02917626,1.032828646,162.775444,143.0927604,152.2759066,161.8306172,163.1172152,163.6837742,163.6147125,163.5290759,163.4200839,1.738756614,2.123015873,1.808760684,1.560185185,1.50245098,1.492831541,1.506944444,1.524444444,1.546717172,0.081876906,-0.001062082,-0.034319963,-0.011845503,-0.004270624,0.006789365,8.93E-04,3.72E-05,-1.06E-04,1199.129994,-1.58E-12,-399.4354719,-22.2366139,-75.76920291,14.00083097,11.5300961,9.059361218,6.58862634,2229.833428,-7.11E-14,-742.7673164,-41.34993308,-140.8960683,26.03514305,21.44070604,16.84626903,12.25183202,0.234901333,2.60E-15,-0.078246667,-0.004356,-0.014842667,0.002742667,0.002258667,0.001774667,0.001290667,9.968392917,1.78E-14,-3.320515498,-0.18485344,-0.629870981,0.116389203,0.095849932,0.075310661,0.05477139,54.14846853,-6.35E-13,-18.03709288,-1.00412682,-3.421469166,0.632227998,0.520658351,0.409088705,0.297519058,5.725529101,0.766534392,0.028911565,0.410147392,-0.613851096,-0.126369992,-0.21494709,-0.303524187,-0.392101285,0.00194945,-2.53E-05,-4.40E-04,-1.10E-04,-4.19E-05,7.30E-05,1.06E-05,4.96E-07,-1.61E-06,28.55071414,-3.77E-14,-5.120967588,-0.205894573,-0.742835323,0.15054657,0.137263049,0.120791483,0.099827672,53.0912721,-1.69E-15,-9.522657903,-0.382869751,-1.381334003,0.279947775,0.2552465,0.22461692,0.185633819,0.005592889,6.20E-17,-0.001003162,-4.03E-05,-1.46E-04,2.95E-05,2.69E-05,2.37E-05,1.96E-05,0.237342688,4.24E-16,-0.042570712,-0.001711606,-0.006175206,0.001251497,0.001141071,0.001004142,8.30E-04,1.289249251,-1.51E-14,-0.231244781,-0.009297471,-0.033543815,0.006798151,0.006198314,0.005454516,0.004507865,0.136322121,0.018250819,3.71E-04,0.003797661,-0.006018148,-0.001358817,-0.002558894,-0.004046989,-0.005940929,-0.012971691,-0.225704424,-0.056262319,-0.02147727,0.037448473,0.005451974,2.54E-04,-8.28E-04,-1.32E-15,-0.179363905,-0.007211538,-0.0260181,0.005272953,0.004807692,0.004230769,0.003496503,-3.19E-17,-0.179363905,-0.007211538,-0.0260181,0.005272953,0.004807692,0.004230769,0.003496503,1.11E-14,-0.179363905,-0.007211538,-0.0260181,0.005272953,0.004807692,0.004230769,0.003496503,1.79E-15,-0.179363905,-0.007211538,-0.0260181,0.005272953,0.004807692,0.004230769,0.003496503,-1.17E-14,-0.179363905,-0.007211538,-0.0260181,0.005272953,0.004807692,0.004230769,0.003496503,0.133880097,0.002719009,0.027857995,-0.044146525,-0.009967693,-0.018770937,-0.029686959,-0.043580077,1.235780632,1.255497675,0.955202039,0.917159996,0.841974431,0.878305079,0.904336119,0.932634086,1.28125,1.300203402,0.977363782,0.9739819,0.934708437,0.936298077,0.938269231,0.940777972,1.28125,1.300203402,0.977363782,0.9739819,0.934708437,0.936298077,0.938269231,0.940777972,1.28125,1.300203402,0.977363782,0.9739819,0.934708437,0.936298077,0.938269231,0.940777972,1.28125,1.300203402,0.977363782,0.9739819,0.934708437,0.936298077,0.938269231,0.940777972,1.28125,1.300203402,0.977363782,0.9739819,0.934708437,0.936298077,0.938269231,0.940777972,1.10823611,0.988195413,0.842622541,0.863911557,0.824531332,0.870249509,0.926940049,0.999091644,148.4627584,74.23137922,120.2843483,148.4627584,9.278922403,74.23137922,-1.71E-13,0.261525995,0.016345375,-2.145954546,112.012241,7.000765061,7.549773056,148.4627584,74.23137922,120.2843483,148.4627584,9.278922403,74.23137922,-1.71E-13,0.261525995,0.016345375,-2.145954546,112.012241,7.000765061,7.549773056,148.4627584,74.23137922,120.2843483,148.4627584,9.278922403,74.23137922,-1.71E-13,0.261525995,0.016345375,-2.145954546,112.012241,7.000765061,7.549773056,148.4627584,74.23137922,120.2843483,148.4627584,9.278922403,74.23137922,-1.71E-13,0.261525995,0.016345375,-2.145954546,112.012241,7.000765061,7.549773056,148.4627584,74.23137922,120.2843483,148.4627584,9.278922403,74.23137922,-1.71E-13,0.261525995,0.016345375,-2.145954546,112.012241,7.000765061,7.549773056,148.4627584,74.23137922,120.2843483,148.4627584,9.278922403,74.23137922,-1.71E-13,0.261525995,0.016345375,-2.145954546,112.012241,7.000765061,7.549773056,178.2046878,88.55864073,145.9458218,178.0171878,11.12607424,88.55864073,-0.3,0.334724137,0.020920259,-1.751117692,105.4657521,6.591609507,7.453418041,0,11.85,12.15020408,-0.210044169,0.090185738,5.128245424,8.755931274,16,42,39,36,10,3,0,0,0,6,28.423382,3.785296008,3.506196953,3.328674806,3.078891331,2.799196119,2.619181914,2.514297235,2.204299931,1.996332956,1.913687622,1.783041699,1.59959491,1.384085745,1.165561461,1.082250302,0.975995835,3.797677687,3.53448639,3.359772542,3.113602958,2.836317571,2.645815032,2.556885812,2.261037641,1.960168184,1.856293223,1.718101256,1.524367158,1.29780323,1.069024754,1.007167592,0.871103481,3.854393682,3.657749179,3.49618626,3.268379027,3.006474335,2.771820215,2.746597847,2.503051779,1.866250807,1.682115994,1.523287257,1.299467462,1.041401703,0.798620231,0.785043977,0.549512486,3.806907924,3.555269056,3.382676196,3.139330176,2.864095253,2.665925019,2.588374676,2.302530873,1.938464576,1.819150124,1.676356724,1.476055429,1.242419829,1.007274441,0.960278991,0.803421927,3.883695789,3.717035976,3.562186278,3.344212108,3.091984755,2.84073105,2.838078588,2.615278807,1.839625214,1.626701372,1.461710191,1.228959315,0.962497667,0.738564276,0.698092794,0.443145378,3.930442804,3.508564371,3.365912131,3.150588851,2.903293954,2.845763081,2.643081429,2.35547097,1.88844682,1.803850805,1.651410678,1.436780121,1.185272356,0.930654846,0.778249264,0.705909051,0,0,0,5,1,1,9,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.612372436,0.649519053,0.219416097,0.27300174,0.255985446,11.47684521,7.931851653,5.767584714,4.190670698,3.042710979,2.207707785,1.184021663,0.774729747,0.717302825,0.495740728,0.339269689,0.232815039,0.160142683,0.110385389,0.078934778,0.055337839,10.75071238,6.971343774,4.710472294,3.161829883,2.10768486,1.394596295,0.807018307,0.508148118,0.671919524,0.435708986,0.277086606,0.175657216,0.110930782,0.069729815,0.05380122,0.036296294,23.04376145,40.5418791,38.43137255,38.88,26.38120838,319.5954,0.548660987,0.965282836,0.91503268,0.925714286,0.628124009,7.609414286,5.3698,72.756,100.0344128,153.4627491,200.0688256,12.5043016,100.0344128,0.166110359,0.010381897,-2.872164638,144.7448209,9.046551309,7.959955738,323,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,10,0,0,5,0,0,0,0,0,0,0,0,1,0,9,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.34107887,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.949524155,0,2.439983893,0,0,1.949524155,0,0,0,0,0,0,0,0,2.277638687,0,12.54794911,0,0,10.84711314,0,0,0,0,1.493965727,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.493965727,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.37125584,0,0.209772428,0,0,0.37125584,0,0,0,0,0,0,0,0,2.277638687,0,1.259722222,0,0,2.094474677,0,0,0,0,1.493965727,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.23734943,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.411903818,0,0.359305556,0,0,0.411903818,0,0,0,0,0,0,0,0,2.277638687,0,1.44362796,0,0,2.23734943,0,0,0,0,1.493965727,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,27.16666667,1.697916667,0.411903818,2.277638687,0.110491952,1.259722222,10.57413136,0.240277778,0.277638687,2.249503651,0.240277778,0.277638687,2.249503651,8,0.5,0,0,0.45238,0.7,0.43333,0.43333,0.7,0.01905,0.01905,0,0,0.71429,0,0,0.0625,0.0625,0,14,0.875,8,0.5,6,0.375,-2,-0.125,0,0,15.18158,0.94885,20.52214,5.34056,0.33379,5.94966,0.37185,7.93185,1.98218,0.12389,-0.01785,-0.00112,0.06815,0.00426,0.142857143,16,0,0,0,0,0,0,0.625,0.958711883,2.071890117,2.901146221,3.665428732,4.0979239,4.210139221,40.26589909,87.01938493,121.8481413,153.9480067,172.1128038,176.8258473,0.177792182,0.384229999,0.538014733,0.679750179,0.759955985,0.780766207,4.43360554,3.320427305,2.491171202,1.726888691,1.294393523,1.182178201,0.174569834,0.377266121,0.528263624,0.667430222,0.746182359,0.766615412,6.796536395,15.34870622,19.67707825,23.13379287,24.41897815,24.20620264,62.05497356,47.47689848,37.2428435,28.43794098,24.79773552,25.17023685,14.0625,10.17301038,7.864197531,10,6,10,3.22,2.1254,0,2.32538887,0.1,0,23.51273329,4.698051033,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,7.911,17,18,19,20,15,14,13,12,11,171,2.995732274,3.277144733,3.604138226,3.963191292,4.342993404,3.81908501,3.796892698,3.774196689,3.750973584,3.727198318,6.081362379,2.553362573,0.461538462,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0.5625,10,0.625,1,7,13,0.857142857,1,0.444444444,0.1875,0.151111111,0.090277778,0.060408163,0.043402778,0.032753842,0.025625,0.020610142,0.0625,0.026143791,0.0125,0.012592593,0.008207071,0.006040816,0.004822531,0.00409423,0.003660714,0.003435024,0.15905731,79.2970288,126.5176831,158.5940576,9.9121286,79.2970288,0.163654708,0.010228419,-2.895994413,148.0659251,9.254120318,7.996252183,0,254.1263779,5,4.204692619,4.919980926,5.65248918,6.385194399,7.128495946,7.869783903,8.619569258,9.366403508,10.12089468,96.26750442,3.496507561,0,4.615120517,0,5.910796644,0,7.292337176,0,8.721439306,9.001715907,218.2034508,5.195320258,31.70844373,1.981777733,0,0,0,612,15,7.49,66,1.242150089,2.163480803,2.911473642,3.685492077,4.880192996,5.878416162,7.118054044,8.225327328,9.444064953,10.56902978,88.33029077,93.07913637,87.79932969,104.7835578,130.7927037,158.5024307,186.8765572,215.8351585,245.5519229,276.4638497,313.7630553,388.3364542,395.2388883,492.3136618,616.351851,750.4989443,890.2681761,1030.838735,1174.952903,1321.089519,9.075689665,15.51103538,20.50298694,25.9765551,34.26491821,41.31350835,49.96735418,57.75459547,66.28377554,74.19918286,2.312305678,3.109080887,3.344619755,4.2159126,5.326498487,6.481574402,7.72311891,8.944536012,10.21062114,11.46896121,175.600133,326.238355,466.9044947,588.7861988,789.9239718,948.3167514,1152.733942,1330.873284,1530.227543,1710.999547,2.714571977,4.01118257,4.668096139,5.825210199,7.500312834,9.177262324,11.13375447,13.06362292,15.21172392,17.48578528,0.476967639,0.651499366,0.709074116,0.895189303,1.133492138,1.37885723,1.64448856,1.904514945,2.174795434,2.442302429,485.5347154,420.2144986,17.0301999,87.01841859,-75.31161002,-5.142383989,398.5162968,495.5261087,22.17258388,0.848016868,0.733931008,0.029744313,0.151983132,-0.131536456,-0.008981497,277.994423,240.5951281,9.750694323,49.82266828,-43.11989834,-2.944288069,0.071670846,0.075423146,1.745642014,0.723446653,572.553134,0,1,0,1099.373639,33.15680381,10.32084145,1352.298138,36.77360654,11.05836236,1908.191371,43.68284984,12.40339694,3.543185988,3.543185988,5227.061219,5180.779742,199.1422169,1.008933303,26.24788104,26.0154769,7.106543738,8.302825165,16.29356092,0.962411661,7.659825684,10.40949528,5.851714893,46.64109254,17.52498838,4.386297176,9.061194983,11.86609725,30.48016644,3.185276658,4.520830115,26.22993593,6.654165612,26.55086935,4.603257768,3.606305447,12.51468864,8.74993385,15.93707686,4.405694092,5.955051692,4.502873964,7.59163506,2.583422095,5.884734461,3.806642149,4.706109618,2.015856589,2.212189719,0.455794639,0.642945699,10.40905499,0.453999546,11.22123635,1.058855642,1.167474657,1.177543383,1.629791557,7.93067036,0.473975968,1.296967508,2.39988152,1.211103276,5.48782251,1.212123731,0.407766412,1.576674832,1.251482736,2.829548196,0.435906725,0.503471239,1.173700555,1.138015432,0.550695696,0.371213353,0.785988421,0.60983324,0.366757626,0.139235848,0.018870088,2.075240499,10.40908531,1.489367211,13.77594758,2.254493724,1.575944739,2.725865804,2.980118939,11.01406306,0.82940797,1.791296582,6.309955289,1.818885069,8.813756398,1.668789165,0.982797866,3.018030325,2.273551872,4.713062397,1.011255335,1.300641585,1.688590154,1.920180763,0.781161575,1.231528727,1.307560652,1.238765943,0.702707582,0.479984053,0.073686032,7.230257319,10.40944726,5.497773038,42.8187705,15.75087883,4.101310797,8.557019452,10.97796148,28.56217484,2.949246128,4.265545301,24.43353098,6.142907361,24.91701867,4.312329671,3.382949403,11.56512623,8.110984889,14.85445579,4.079542085,5.50965626,4.240811094,7.007228618,2.393725296,5.453412867,3.588109353,4.382036378,1.914664217,2.056139575,0.416887579,3.058465976,10.40912381,2.219836458,16.91785125,3.71822891,1.930149319,3.806822764,4.126536632,13.58186872,1.132191869,2.179252825,9.277404755,2.385537499,11.385953,2.052211575,1.400656749,4.242436849,3.126161772,6.241200559,1.475981464,1.941586203,2.090938367,2.616011643,0.994138253,1.900825451,1.693813359,1.732031872,0.933524533,0.738359084,0.121520526,9.250323987,10.409697,7.188882019,62.67135958,24.96352648,5.541314068,10.95239167,15.45135114,38.19194826,4.138724178,5.531801246,33.26447309,8.74927343,32.99130751,5.775043185,4.464566238,16.34834738,11.31993624,20.26366729,5.707669767,7.730924759,5.539317015,9.97038825,3.359875825,7.588213166,4.653932973,5.989236033,2.390794031,2.823065568,0.61365543,4.443326358,8.909819361,3.393620167,22.28657604,6.824217438,2.746404325,5.257952469,6.234957256,16.49673431,1.638664606,2.87049955,13.34317026,3.453061669,14.50976532,2.846545442,2.175465938,6.600958149,4.675981832,8.562186128,2.355186768,3.113453578,2.878947389,4.000158695,1.52584616,3.217603653,2.598335477,2.837966329,1.450659951,1.325102916,0.228756631,23.84388198,1.072728174,0.774901444,0.928084044,0.041754187,0.567511399,0.39998425,0.412591558,25.6915116,44.88592115,90.39786496,0.892126066,1.380087207,24.0507558,0.562379075,0.350219711,0.963442462,0.022528185,0.577209967,0.115705018,0.085232513,24.96335458,22.14564677,51.84594772,0.945163693,0.778147498,23.97326627,0.752357942,0.508630569,0.9500287,0.029814946,0.573542162,0.202715787,0.179025268,25.23425478,30.61268559,65.02084407,0.92504305,0.955283218,23.84950067,1.058733676,0.763285491,0.92902566,0.041241566,0.567770757,0.390090174,0.400438408,25.67151983,44.26236341,89.20704762,0.893538491,1.358299339,23.93681868,0.84220827,0.583395058,0.943790726,0.033206934,0.571831183,0.251767425,0.235053333,25.36242201,34.6157485,71.7392904,0.915686089,1.058651941,23.82611151,1.117038706,0.811673788,0.925112573,0.043372019,0.566692684,0.432058139,0.452235214,25.754824,46.86038999,94.21765925,0.88766886,1.450986036,23.94701798,1.062125245,0.765308256,0.929099034,0.041208452,0.572413878,0.391978224,0.402354075,25.77445148,44.57443612,89.81429825,0.893648551,1.366746176 +UMLYSI0097,L,1-ethyl-3-methylbenzene,CCC1=CC=CC(=C1)C,aromatic,C9H12,620-14-4,12100,PubChem,,278,0,1.9611,3.84591321,44.3682,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1811.945363,1609.182801,1025.099549,530.755682,135.295776,12.192768,0,4184.657049,5188.491512,6941.531225,6928.73748,5275.351979,3400.034448,1582.538586,373.0049332,0,148.486212,153.276228,258.0923,299.553156,295.86578,230.937608,165.234816,80.621568,0,30.43545486,38.46263172,53.83398791,56.49561099,46.4495312,32.07049675,17.36002377,5.335354858,0,3360.161029,2978.619777,5445.36734,6448.554114,6712.842402,5381.928943,4120.072605,2219.011824,0,43.80555556,53.16666667,77.27777778,86.83333333,75.5,55,34,12,0,62.40808843,68.74581643,50.33181564,38.31387621,24.40713212,16.08350552,5.637324,1.016064,0,199.2693833,247.0710244,192.8203118,164.96994,125.6036186,103.0313469,65.93910774,31.08374443,0,7.070772,7.298868,7.169230556,7.132218,7.044423333,6.998109333,6.884784,6.718464,0,1.449307374,1.831553891,1.495388553,1.345133595,1.105941219,0.971833235,0.723334324,0.444612905,0,160.0076681,141.839037,151.2602039,153.5370027,159.829581,163.0887558,171.6696919,184.917652,0,2.085978836,2.531746032,2.146604938,2.067460317,1.797619048,1.666666667,1.416666667,1,0,0.04601962,-3.58E-04,-0.005868395,-0.020339902,-0.007399644,-0.001911997,0.002718902,0.010149633,0,622.6251891,4.05E-13,56.82690218,-207.5417297,-224.8368739,-217.4246692,14.82440927,266.8393668,0,1157.798126,-5.68E-14,105.6720512,-385.9327088,-418.0937678,-404.3104568,27.56662205,496.199197,0,0.121968,1.87E-15,0.011132,-0.040656,-0.044044,-0.042592,0.002904,0.052272,0,5.175896322,1.00E-14,0.472403236,-1.725298774,-1.869073672,-1.807455859,0.123235627,2.218241281,0,28.11555097,4.40E-14,2.566101874,-9.371850323,-10.15283785,-9.81812891,0.66941788,12.04952184,0,4.216931217,-0.60978836,1.206160242,-1.497354497,-1.617724868,-0.86866969,-0.390778534,1.669690098,0,0.00219141,-1.71E-05,-1.63E-04,-4.84E-04,-1.76E-04,-5.79E-05,1.13E-04,8.46E-04,0,29.64881853,1.93E-14,1.578525061,-4.941469755,-5.353258901,-6.58862634,0.617683719,22.2366139,0,55.13324411,-2.71E-15,2.935334756,-9.188874018,-9.954613519,-12.25183202,1.148609252,41.34993308,0,0.005808,8.91E-17,3.09E-04,-9.68E-04,-0.001048667,-0.001290667,1.21E-04,0.004356,0,0.246471253,4.78E-16,0.013122312,-0.041078542,-0.044501754,-0.05477139,0.005134818,0.18485344,0,1.33883576,2.09E-15,0.071280608,-0.223139293,-0.241734235,-0.297519058,0.027892412,1.00412682,0,0.200806248,-0.029037541,0.033504451,-0.035651298,-0.038517259,-0.026323324,-0.016282439,0.139140842,0,-0.007788141,-0.074386328,-0.22099164,-0.080396618,-0.02643927,0.051696198,0.385962731,0,6.50E-16,0.053240741,-0.166666667,-0.180555556,-0.222222222,0.020833333,0.75,0,-4.91E-17,0.053240741,-0.166666667,-0.180555556,-0.222222222,0.020833333,0.75,0,1.53E-14,0.053240741,-0.166666667,-0.180555556,-0.222222222,0.020833333,0.75,0,1.94E-15,0.053240741,-0.166666667,-0.180555556,-0.222222222,0.020833333,0.75,0,1.56E-15,0.053240741,-0.166666667,-0.180555556,-0.222222222,0.020833333,0.75,0,-0.144604768,0.166849645,-0.177540778,-0.191813049,-0.131088172,-0.08108532,0.692910916,0,1.060870967,1.010933383,1.24386906,1.163921443,0.956712779,0.733849505,0.084749746,0,1.111111111,0.972222222,1.157407407,1.111111111,1.11952862,0.810185185,0,0,1.111111111,0.972222222,1.157407407,1.111111111,1.11952862,0.810185185,0,0,1.111111111,0.972222222,1.157407407,1.111111111,1.11952862,0.810185185,0,0,1.111111111,0.972222222,1.157407407,1.111111111,1.11952862,0.810185185,0,0,1.111111111,0.972222222,1.157407407,1.111111111,1.11952862,0.810185185,0,0,1.279799247,0.763017566,1.204516939,1.127666248,1.029998859,0.988080301,0,0,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,31.99274582,15.99637291,23.26616083,31.99274582,3.554749536,15.99637341,-5.33E-15,0.215740589,0.023971177,-1.380310714,72.38206753,8.042451948,3.853762724,36.0445205,17.8821372,26.44963274,35.98759321,3.998621467,17.88213728,-0.102469136,0.342844979,0.038093887,-0.963429201,92.35480443,10.26164494,4.073073957,0,11.89,12.11013444,-0.155069761,0.065305538,5.526181955,8.44400789,9,21,18,15,3,3,0,0,0,6,13.118484,3.811285705,3.122192905,2.817988544,2.468695058,2.072430701,1.606108825,0.85823382,0.431113469,1.999248879,1.626172431,1.376660503,1.035030141,0.841567723,0.699412517,0.27320129,0.083923071,3.822315902,3.153465597,2.850918831,2.506318825,2.131695888,1.696155547,0.975778978,0.537848538,1.967623911,1.55023931,1.290717475,0.949607411,0.739807893,0.570594071,0.109579262,0.270913902,3.873057964,3.298046656,3.007379085,2.671558514,2.377566354,2.065162602,1.459663611,0.963169409,1.883696799,1.327955732,1.040485206,0.704660144,0.423834148,0.133013822,0.452074688,0.943918427,3.830551211,3.176937509,2.875860457,2.5340056,2.174588336,1.761195241,1.06113048,0.61483492,1.94837221,1.501799577,1.235856452,0.89581381,0.673822429,0.483694096,0.001108919,0.399277246,3.8993543,3.371419543,3.088935136,2.75248408,2.488997533,2.227257367,1.669945758,1.207644823,1.859817245,1.260502019,0.966140406,0.629643658,0.317553779,0.023797965,0.65654804,1.136002642,3.838881493,3.168751813,2.937162405,2.590658693,2.252841084,1.800435742,1.171115561,0.660313009,1.939430029,1.480848296,1.15240141,0.825365771,0.591649195,0.409096936,0.125147872,0.534653465,0,0,0,4,2,2,1,0,0,0,0,0,0.083333333,0.142258898,0,0,0,0.027777778,0.047419633,0.49279928,0,0,0,0.284517797,0,0,0,0.837103655,1.146659525,1.24013326,0.424376455,0.503923769,0.482896135,6.690234444,4.325698503,3.54605133,2.62234839,1.930516643,1.331224291,0.534517797,0.201184464,0.743359383,0.480633167,0.322368303,0.218529033,0.14850128,0.102401869,0.076359685,0.067061488,6.016507858,3.382027377,2.342606274,1.490732573,0.932061801,0.559962113,0.196901338,0.073304401,0.668500873,0.37578082,0.212964207,0.124227714,0.071697062,0.043074009,0.028128763,0.0244348,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,2.27702,39.46,36.7912283,50.73939382,73.58245661,8.175828512,36.7912283,0.054065423,0.006007269,-2.625804381,39.92247553,4.435830615,3.318245516,71,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,4,0,0,0,0,0,0,0,0,2,0,1,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.39324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.589444444,0,0.645277778,0,0,1.589444444,0,0,0,0,0,0,0,0,4.299537037,0,1.140555556,0,0,8.611435185,0,0,0,0,2.781805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.35587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.378819444,0,0.285972222,0,0,0.378819444,0,0,0,0,0,0,0,0,2.124166667,0,1.140555556,0,0,2.105324074,0,0,0,0,1.35587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.222222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40875,0,0.359305556,0,0,0.40875,0,0,0,0,0,0,0,0,2.17537037,0,1.140555556,0,0,2.222222222,0,0,0,0,1.425925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.83333333,1.87037037,0.40875,2.222222222,0.144097222,1.140555556,5.538328009,0.359444444,0.222222222,1.821944444,0.359444444,0.222222222,1.821944444,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.22222,0.22222,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.37176,0.59686,9.9286,4.55684,0.50632,2.3029,0.25588,4.32569,2.02278,0.22475,0.08831,0.00981,0.17431,0.01937,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.392317423,3.368042423,3.653756708,3.517816091,3.613054186,20.68979086,50.23866588,70.72889087,76.72889087,73.8741379,75.8741379,0.224307135,0.544659503,0.766803056,0.831851698,0.800902064,0.822584945,3.407089287,2,1.024275,0.738560714,0.874501332,0.779263237,0.214882485,0.521774698,0.734584508,0.79690002,0.767250788,0.788022625,6.75154531,17.86857762,23.03943292,23.32738293,23.19037858,24.33323572,33.82580122,24.64405706,17.536747,16.77850061,17.16610224,15.79906372,7.111111111,3.239669421,2,2,6,2,2.45,1.1391,0.2,3.516759154,1.807204007,0,4.941453946,6.26120069,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.395,11,12,13,13,7,3,0,0,0,77,2.564949357,3.068052935,3.504054767,3.944006051,4.328263187,3.840795496,3.056356895,0,0,0,5.583496309,3.441558442,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,3,0.333333333,0,3,5,0.666666667,2,0.666666667,0.5,0.342222222,0.0625,0,0,0,0,0,0.222222222,0.060606061,0.055555556,0.068444444,0.03125,0,0,0,0,0,0.438078283,20.13973017,29.36341876,40.27946033,4.475495593,20.13973017,0.079991382,0.008887931,-2.273252741,47.43521114,5.270579016,3.473428324,0,133.0544855,4.169925001,3.713572067,4.465908119,5.262690189,6.033086222,6.834108739,7.608374474,8.409830673,9.185125123,9.986495092,79.4991907,2.944438979,0,4.143134726,0,5.556828062,0,7.062191632,0,8.606851063,8.851090688,120.0939004,5.718757161,17.54944621,1.949938468,0,0,0,88,9,3.33,40,1.233966845,2.155024606,3.006602061,3.803575253,4.732338347,5.627310793,5.90603021,0,0,0,94.26734244,118.9857577,123.2933378,103.9474775,80.49995019,31.0266226,6.000904679,0,0,0,326.927337,443.7910469,519.2072207,512.2762041,506.2240303,365.8076947,183.5815336,0,0,0,9.036759105,15.50670926,21.49665094,26.88352142,33.18433047,38.71775749,39.67945135,0,0,0,2.379713299,3.389629213,4.186165788,4.425811404,4.731469263,4.028428089,2.625897248,0,0,0,173.1445827,321.9880536,457.8151978,601.3196506,766.6160736,968.0349704,1092.129239,0,0,0,3.215736753,4.804779339,6.364171796,7.065236819,8.049029972,7.909238475,5.90603021,0,0,0,0.489733493,0.704622443,0.878528449,0.940413619,1.018243483,0.890229874,0.604777493,0,0,0,273.3621505,126.6593352,10.3082173,97.67951143,-45.2587235,-5.035003642,175.682639,171.9180587,15.34322095,0.73674247,0.341361492,0.027781833,0.26325753,-0.121977471,-0.013569915,101.4287466,46.99589024,3.82477808,36.24316825,-16.79287198,-1.868196119,0.134438829,0.132225353,1.778489238,1.268284253,371.0416619,0,1,0,666.9778556,25.82591442,8.737163679,784.0715378,28.00127743,9.221153035,1121.219548,33.48461658,10.38875618,1.580629161,1.357998571,534.1249022,391.5036196,181.5358324,1.364291096,2.942256055,2.156618968,4.193560552,4.001863032,7.138102735,0.783694914,3.673559607,3.820518392,3.862882887,8.972241623,4.024349708,5.514497767,5.89076772,4.441774876,6.001203548,5.287974103,3.262359994,2.512684418,0.14850832,2.05E-06,5.47E-33,2.81E-81,2.78E-151,5.32E-243,0,0,0,0,0,0,0,0,0,0,0,0,0.30840601,3.820354267,0.296883239,4.738655281,0.964935454,1.295409127,0.493010609,0.874350095,0.825867472,0.347228098,0.091285455,0.017890989,0.001045956,1.44E-08,3.85E-35,1.98E-83,1.96E-153,3.75E-245,0,0,0,0,0,0,0,0,0,0,0,0,0.995305602,3.82036561,0.975724002,5.261440042,1.266618686,1.819692579,1.46562783,1.496204909,1.661726367,1.180477549,0.414936222,0.184915109,0.01089967,1.51E-07,4.01E-34,2.06E-82,2.04E-152,3.91E-244,0,0,0,0,0,0,0,0,0,0,0,0,3.467547315,3.820500505,3.627220631,8.592295399,3.722855627,5.137016168,5.514621264,4.185762722,5.606354308,4.923503233,2.953738395,2.238890124,0.132318239,1.83E-06,4.87E-33,2.50E-81,2.48E-151,4.74E-243,0,0,0,0,0,0,0,0,0,0,0,0,1.466840637,3.820379977,1.456292584,5.721678319,1.569563276,2.279635993,2.171655301,1.954661106,2.300999453,1.804516132,0.733205709,0.401183066,0.023675541,3.27E-07,8.71E-34,4.48E-82,4.44E-152,8.49E-244,0,0,0,0,0,0,0,0,0,0,0,0,4.436330396,3.820593517,4.75513867,10.51613572,5.270310901,7.047475801,7.335357244,5.432383889,7.55173713,6.707844232,4.535042443,3.663881474,0.216585427,2.99E-06,7.97E-33,4.10E-81,4.06E-151,7.77E-243,0,0,0,0,0,0,0,0,0,0,0,0,2.020537851,3.329195805,1.903437708,6.277355803,2.125103568,2.995191084,2.890802357,2.522860417,2.922713617,2.655470146,1.186350406,0.71898285,0.042451746,5.86E-07,1.56E-33,8.03E-82,7.96E-152,1.52E-243,0,0,0,0,0,0,0,0,0,0,0,0,4.600745398,2.14214627,0.425526081,0.641807657,0.298831115,0.599068656,0.456810161,0.322663013,7.168417749,12.72474586,24.08692296,0.462711485,1.37854183,3.121693706,1.385814711,0.163683872,0.668286277,0.296672589,0.278005386,0.191005115,0.047525802,4.67119229,5.063895494,10.44319879,0.502429416,0.516536304,3.637194514,1.652390951,0.255372643,0.655946257,0.297998816,0.375830319,0.272329934,0.115951367,5.544958109,7.360882725,14.44064761,0.483919385,0.76411162,4.555958106,2.119555077,0.417641918,0.642303466,0.298816965,0.58752452,0.44730985,0.310795719,7.093155101,12.44457826,23.57073604,0.463455199,1.345630089,3.894907513,1.784269202,0.301009507,0.651302045,0.298363485,0.430378631,0.317562076,0.161224383,5.980186222,8.659049702,16.73112061,0.476953067,0.90916509,4.744293368,2.214464607,0.450782977,0.640295181,0.29886664,0.6368365,0.487864128,0.36217723,7.409540952,13.64295938,25.78845773,0.460442772,1.486877858,4.554889737,2.123182148,0.417059345,0.641973994,0.299244944,0.587233755,0.448868357,0.310018183,7.09513123,12.45601286,23.58446687,0.462960992,1.346120294 +UMLYSI0098,L,(3-butenyl)-benzene,C=CCCC1=CC=CC=C1,aromatic,C10H12,768-56-9,13033,UML,,275.9,0,2.2333,4.98762889,49.2001,25.601516,6,6,22,10,12,0,10,0,0,0,0,0,0,0,0,0,1454.833978,1587.926266,1856.309459,1613.247057,1146.165558,917.151821,598.313019,249.249337,41.401584,4608.173951,5612.008414,7276.142713,7053.072458,5500.479393,4273.806176,3010.796674,1590.079788,499.6285713,156.026728,160.816744,259.688972,326.427012,295.889496,238.525556,168.898476,118.229284,54.945216,33.22435486,41.25153172,56.50971353,58.27406261,47.45595549,36.87224532,26.39967927,15.25415772,5.563697454,3486.955385,3105.414133,5318.186923,7188.224722,6718.309315,5519.657124,3850.317405,2831.115954,1383.955903,52.27777778,60.41666667,82.83333333,91.33333333,78.33333333,64.83333333,51.5,32,12,66.12881718,72.17846664,51.56415164,35.0705882,27.28965614,26.97505356,24.92970913,14.66172571,5.175198,209.4624523,255.0912915,202.1150754,153.3276621,130.9637951,125.7001817,125.4498614,93.53410519,62.45357141,7.092124,7.309852,7.213582556,7.096239391,7.044988,7.015457529,7.0374365,6.954663765,6.868152,1.510197948,1.875069624,1.569714265,1.266827448,1.129903702,1.084477803,1.099986636,0.897303395,0.695462182,158.4979721,141.1551879,147.7274145,156.2657548,159.9597456,162.3428566,160.4298919,166.5362326,172.9944879,2.376262626,2.746212121,2.300925926,1.985507246,1.865079365,1.906862745,2.145833333,1.882352941,1.5,0.072705975,-0.003851871,-0.030521838,-0.013445177,0.002732066,0.015228334,-0.01229103,-0.004503102,0.003731688,660.3600491,-2.13E-14,-189.103105,-126.0687366,-94.05127972,80.04364231,-82.04473337,-4.002182116,35.01909351,1227.96771,4.26E-13,-351.6452987,-234.4301991,-174.8923708,148.8445709,-152.5656851,-7.442228543,65.11949976,0.12936,1.87E-15,-0.037044,-0.024696,-0.018424,0.01568,-0.016072,-7.84E-04,0.00686,5.489587008,1.09E-14,-1.572018098,-1.048012065,-0.781850271,0.665404486,-0.682039598,-0.033270224,0.291114463,29.81952376,-4.31E-14,-8.539227257,-5.692818171,-4.24702308,3.614487728,-3.704849921,-0.180724386,1.581338381,6.696969697,-0.517676768,-1.8728191,-1.92194674,-0.898760331,2.372359963,-0.252754821,-0.429981635,-0.213039486,0.003304817,-1.75E-04,-8.48E-04,-2.92E-04,6.50E-05,4.48E-04,-5.12E-04,-2.65E-04,4.66E-04,30.01636587,-9.69E-16,-5.252864027,-2.74062471,-2.239316184,2.354224774,-3.418530557,-0.235422477,4.377386689,55.81671408,1.94E-14,-9.767924963,-5.096308676,-4.164104066,4.377781496,-6.356903548,-0.43777815,8.139937469,0.00588,8.52E-17,-0.001029,-5.37E-04,-4.39E-04,4.61E-04,-6.70E-04,-4.61E-05,8.57E-04,0.249526682,4.97E-16,-0.043667169,-0.022782871,-0.018615483,0.01957072,-0.028418317,-0.001957072,0.036389308,1.355432898,-1.96E-15,-0.237200757,-0.123756917,-0.101119597,0.106308463,-0.154368747,-0.010630846,0.197667298,0.304407713,-0.023530762,-0.052022753,-0.041781451,-0.021399055,0.069775293,-0.010531451,-0.025293037,-0.026629936,-0.052978738,-0.256543352,-0.088442554,0.019683146,0.135527069,-0.154963571,-0.080152199,0.141145795,-3.23E-17,-0.175,-0.091304348,-0.074603175,0.078431373,-0.113888889,-0.007843137,0.145833333,3.47E-16,-0.175,-0.091304348,-0.074603175,0.078431373,-0.113888889,-0.007843137,0.145833333,1.45E-14,-0.175,-0.091304348,-0.074603175,0.078431373,-0.113888889,-0.007843137,0.145833333,1.99E-15,-0.175,-0.091304348,-0.074603175,0.078431373,-0.113888889,-0.007843137,0.145833333,-1.44E-15,-0.175,-0.091304348,-0.074603175,0.078431373,-0.113888889,-0.007843137,0.145833333,-0.077300151,-0.170898274,-0.137254902,-0.07029735,0.229216574,-0.034596531,-0.083089344,-0.087481146,1.07339185,1.152596331,0.950362657,0.840221968,0.788080656,1.289714643,1.256105393,0.970367394,1.05,1.176388889,1.046195652,1.008333333,0.849264706,1.042708333,0.905882353,0.721875,1.05,1.176388889,1.046195652,1.008333333,0.849264706,1.042708333,0.905882353,0.721875,1.05,1.176388889,1.046195652,1.008333333,0.849264706,1.042708333,0.905882353,0.721875,1.05,1.176388889,1.046195652,1.008333333,0.849264706,1.042708333,0.905882353,0.721875,1.05,1.176388889,1.046195652,1.008333333,0.849264706,1.042708333,0.905882353,0.721875,1.175904977,0.970242584,0.971399764,0.930147059,0.640471121,1.3228931,1.38341762,1.175904977,44.53139283,22.26569642,35.45377323,44.53139283,4.453139283,22.26569642,-3.55E-15,0.269513692,0.026951369,-1.311136084,45.7904675,4.57904675,3.824075936,44.53139283,22.26569642,35.45377323,44.53139283,4.453139283,22.26569642,-3.55E-15,0.269513692,0.026951369,-1.311136084,45.7904675,4.57904675,3.824075936,44.53139283,22.26569642,35.45377323,44.53139283,4.453139283,22.26569642,-3.55E-15,0.269513692,0.026951369,-1.311136084,45.7904675,4.57904675,3.824075936,44.53139283,22.26569642,35.45377323,44.53139283,4.453139283,22.26569642,-3.55E-15,0.269513692,0.026951369,-1.311136084,45.7904675,4.57904675,3.824075936,44.53139283,22.26569642,35.45377323,44.53139283,4.453139283,22.26569642,-3.55E-15,0.269513692,0.026951369,-1.311136084,45.7904675,4.57904675,3.824075936,44.53139283,22.26569642,35.45377323,44.53139283,4.453139283,22.26569642,-3.55E-15,0.269513692,0.026951369,-1.311136084,45.7904675,4.57904675,3.824075936,59.19248466,29.25357274,48.26268275,59.04937355,5.904937355,29.25357274,-0.357777778,0.340161272,0.034016127,-1.078335443,45.09221757,4.509221757,3.808709672,0,11.85,12.1501118,-0.210039452,0.090090296,5.238643776,8.643381796,10,22,18,15,3,4,1,0,0,7,13.118484,3.785377045,3.350941832,2.841814051,2.619181914,2.298008268,1.565540239,0.941428501,0.921812188,1.987445313,1.728466715,1.324340708,1.082250302,0.929186864,0.672262988,0.350528138,0.310513972,3.79759521,3.375720919,2.869435854,2.645815032,2.340109827,1.652420183,1.053336623,1.047530069,1.95437566,1.672256355,1.246822261,1.007167592,0.836772913,0.537089259,0.189475581,0.150156259,3.853241038,3.486076971,3.001025993,2.771820215,2.527126604,2.017884257,1.544441955,1.517793787,1.864787653,1.508352272,1.029112056,0.798620231,0.564587234,0.086463107,0.367072906,0.396843083,3.806689661,3.394055154,2.890349225,2.665925019,2.371277129,1.715795412,1.137232975,1.134811365,1.93406118,1.636555088,1.198128903,0.960278991,0.777910404,0.446510144,0.080357586,0.041902902,3.881703723,3.540541663,3.070462971,2.838078588,2.618501038,2.182325973,1.754635115,1.721464227,1.838811547,1.457914298,0.966197938,0.738564276,0.479595363,0.071438599,0.572803953,0.594311107,3.785860654,3.502377659,2.907951007,2.698342557,2.386681986,1.735290653,1.231885248,1.212535637,1.965902303,1.619142962,1.115356767,0.911856779,0.726975738,0.398321997,0.025105586,0.051826044,0,0,1,6,1,0,2,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.612372436,0.679412342,0.219416097,0.262188697,0.235853644,7.234204519,4.931851653,3.64626437,2.690670698,1.968614081,1.513420006,0.637136847,0.348461713,0.723420452,0.493185165,0.331478579,0.224222558,0.151431852,0.108101429,0.079642106,0.058076952,6.085421959,3.580733574,2.312948829,1.479961509,0.913405977,0.58131873,0.224513414,0.10343374,0.608542196,0.358073357,0.210268075,0.123330126,0.070261998,0.041522766,0.028064177,0.017238957,13.25096682,21.32702112,20.35294118,20.56,14.79132695,165.140309,0.602316674,0.969410051,0.92513369,0.934545455,0.672333043,7.506377681,2.73139,44.69,44.38801919,65.39551953,88.77603837,8.877603837,44.38801919,0.155799856,0.015579986,-1.859183073,41.5279113,4.15279113,3.726365763,107,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,5,0,2,1,0,7,0,0,0,0,0,0,0,0,0,1,2,0,1,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.47782407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0.359722222,2.095,0,0.778958333,0.37625,0,2.861319444,0,0,0,0,0,0,0,0,0,3.675746882,2.188842593,0,1.951388889,10.45957719,0,0,0,0,1.391111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.391111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0.359722222,0.406597222,0,0.37625,0.37625,0,0.359722222,0,0,0,0,0,0,0,0,0,3.675746882,1.073425926,0,1.951388889,2.039097222,0,0,0,0,1.391111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.675746882,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0.359722222,0.433055556,0,0.402708333,0.37625,0,0.433055556,0,0,0,0,0,0,0,0,0,3.675746882,1.115416667,0,1.951388889,2.142361111,0,0,0,0,1.391111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.66666667,1.966666667,0.433055556,3.675746882,0.159722222,1.073425926,6.17593433,0.426574074,0.675746882,2.270648148,0.426574074,0.675746882,2.270648148,5,0.5,0,0,0.48182,0.7,0.43333,0.43333,0.7,0.04848,0.04848,0,0,0.71429,0,0,0.1,0.1,0,12,1.2,5,0.5,7,0.7,2,0.2,0,0,5.17522,0.51752,10.92787,5.75264,0.57526,2.38478,0.23848,4.93185,2.54706,0.25471,-0.01785,-0.00178,0.06815,0.00682,0.272727273,10,0,0,0,0,0,0,0.2,0.994030211,2.386266143,3.170134892,3.788754914,4.004886164,4.004886164,21.86866465,52.49785514,69.74296763,83.35260811,88.10749561,88.10749561,0.222905136,0.535105445,0.710883172,0.849604891,0.898070989,0.898070989,3.465401407,2.073165476,1.289296726,0.670676705,0.454545455,0.454545455,0.211476005,0.507668705,0.674433688,0.806042656,0.852023726,0.852023726,6.685280239,17.88625588,22.10119679,25.10041005,25.31823253,25.31823253,36.74662124,28.03073573,21.95983145,17.39816528,16.83035041,16.83035041,8.1,4.760330579,3.111111111,4,6,4,2.56,1.237,0,2.142414564,0.25,0,11.46750113,4.68730728,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.156,0.16,0.593,0.791,4.81,11,12,13,14,8,6,4,2,0,90,2.708050201,3.068052935,3.457892725,3.863357833,4.303220142,3.739156607,3.684180933,3.595598464,3.446011397,0,5.833347679,3.783333333,0.428571429,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.3,3,0.3,0,4,7,0.75,1,0.444444444,0.1875,0.151111111,0.090277778,0.060408163,0.027777778,0,0,0,0.1,0.04040404,0.020833333,0.025185185,0.018055556,0.020136054,0.027777778,0,0,0,0.252391947,27.56160995,42.5576848,55.12321989,5.512321989,27.56160995,0.162869141,0.016286914,-1.814808216,52.10125507,5.210125507,3.953189038,0,147.7140115,4.321928095,3.761200116,4.48863637,5.241747015,5.993961427,6.758094504,7.518064181,8.285765421,9.048409505,9.817439348,80.91331789,3.044522438,0,4.17438727,0,5.517452896,0,6.955592608,0,8.438366411,8.701346403,132.0939004,6.004268199,19.70454557,1.970454557,0,0,0,133,9,3.71,42,1.236468352,2.19306123,2.993277369,3.810039414,4.764927177,5.752123239,6.773270594,7.974465425,8.839692658,0,98.72337185,121.5828397,113.1510793,118.7773003,145.3965945,160.4260396,106.8835034,41.42741842,8.981693481,0,337.5549462,464.7729671,482.4194104,541.8452086,646.2319151,772.3636068,667.4330155,499.2254,274.7707474,0,9.068725671,15.85750294,21.2946743,26.94121467,33.53174275,40.60382659,47.23210462,54.77552642,59.3891569,0,2.438604021,3.565448791,3.935555382,4.568414969,5.453338564,6.64355566,6.32195899,5.555467403,3.930241431,0,172.6459276,321.4296497,463.8807696,602.2601881,766.154224,913.795778,1118.184379,1379.085672,1634.615211,0,3.487535137,5.164173154,6.088981334,7.425888224,9.51778052,12.90559458,13.25312894,12.027139,8.839692658,0,0.501133902,0.741221132,0.828118662,0.967167384,1.155827762,1.411126642,1.364990227,1.230027654,0.905184528,0,277.6759499,165.9497239,14.44546699,111.8314046,-66.83470688,-8.151647516,165.8445453,232.7844308,22.59711451,0.712890133,0.426050297,0.037086506,0.287109867,-0.171587792,-0.020928097,108.1568246,64.63863794,5.626615632,43.55915455,-26.03260986,-3.175126659,0.103790076,0.171710882,2.541726318,4.293060167,389.5073545,0,1,0,747.5341866,27.34107142,9.075634965,865.4771179,29.41899247,9.52983095,1231.917234,35.09867853,10.71997676,2.418682765,2.418682765,878.3440766,818.4194866,122.2599272,1.073219896,7.184235231,6.694094338,4.599027202,5.282500282,9.430874326,0.78530503,4.000204612,3.890604213,4.691314933,14.45731912,4.580782458,5.359630979,5.347596461,8.386035843,5.708207447,2.469889309,4.96915903,1.702937797,3.566734611,0.774577736,1.108212127,0.497029844,0.00680676,0.620123965,8.57E-15,2.28E-50,1.17E-107,1.17E-186,2.23E-287,0,0,0,0,0,0,0,0.335829769,3.890519045,0.356199842,4.985508896,0.966820831,1.25723382,0.488068492,1.273512142,1.24109747,0.633401439,1.040294201,0.438442987,1.089975588,0.154392001,0.084058537,0.041392155,4.79E-05,0.004367584,6.04E-17,1.61E-52,8.27E-110,8.21E-189,1.57E-289,0,0,0,0,0,0,0,1.083806796,3.890525017,1.173931551,5.801230907,1.302232928,1.85317564,1.46784933,2.180841264,1.933738101,0.95239048,1.641427701,0.694928949,1.380609733,0.280980014,0.277245998,0.133829855,5.00E-04,0.04551359,6.29E-16,1.68E-51,8.62E-109,8.55E-188,1.64E-288,0,0,0,0,0,0,0,3.775874209,3.890594962,4.402164123,13.48206481,4.217226918,5.023069957,5.045800516,7.757990208,5.357191395,2.337693305,4.657589183,1.624951676,3.339075791,0.736608599,1.039901977,0.468935209,0.006064701,0.552519288,7.64E-15,2.04E-50,1.05E-107,1.04E-186,1.99E-287,0,0,0,0,0,0,0,1.597269576,3.890532505,1.755219245,6.693059751,1.651926449,2.333961005,2.144046465,2.965364197,2.474296749,1.187957579,2.113718054,0.871480835,1.643936695,0.367880236,0.414573519,0.19745399,0.00108515,0.0988616,1.37E-15,3.64E-51,1.87E-108,1.86E-187,3.55E-288,0,0,0,0,0,0,0,4.830799118,3.890643052,5.788885853,18.51719036,6.08844889,6.70274751,6.469892336,10.93011399,7.095905898,2.98179616,6.203431101,1.992337776,4.495982974,0.915162414,1.367506096,0.601279646,0.00992702,0.904392522,1.25E-14,3.33E-50,1.71E-107,1.70E-186,3.25E-287,0,0,0,0,0,0,0,2.110768926,2.926831781,2.273923256,6.853177423,1.745527585,2.443900891,3.195244972,3.41725766,3.141583794,1.546943707,2.576585083,1.158610694,2.467582448,0.501607933,0.550078718,0.323317796,0.001759863,0.160330815,2.22E-15,5.91E-51,3.04E-108,3.01E-187,5.76E-288,0,0,0,0,0,0,0,7.050292115,1.286630987,0.569309117,0.791613327,0.144464119,0.512234398,0.386397791,0.332351554,8.906232219,13.81741063,27.88791662,0.68741999,1.230983742,6.043037306,0.689534409,0.236148005,0.867166072,0.098947072,0.376287563,0.109526129,0.05612797,6.968719721,5.756765541,13.70948617,0.800749108,0.541941662,6.384256383,0.891524535,0.34954956,0.837243238,0.116916183,0.41998076,0.183998302,0.124142526,7.625330478,8.23496722,17.84983634,0.755864858,0.728121588,7.018450047,1.267727358,0.55883746,0.793492171,0.143326764,0.507614048,0.374998629,0.32015392,8.845014865,13.52810747,27.34536809,0.690238256,1.202766597,6.558620538,0.994883911,0.407249589,0.82386926,0.124973577,0.443241539,0.229680301,0.169070308,7.960754038,9.601227633,20.21931214,0.73580389,0.841992148,7.152961531,1.347588818,0.60305411,0.785728506,0.14802805,0.527275518,0.424332386,0.373200189,9.103604459,14.7655428,29.68213718,0.678592759,1.324808093,7.063770498,1.266214836,0.557884287,0.794765315,0.142465505,0.51416052,0.373980519,0.319368383,8.887869621,13.59141893,27.46914564,0.692147972,1.207509422 +UMLYSI0099,L,"(2,2-dimethylpropyl)-benzene",CC(C)(C)CC1=CC=CC=C1,aromatic,C11H16,1007-26-7,13877,UML,,272.8,0,3.2202,10.36968804,53.4635,30.028688,6,6,27,11,16,0,11,0,0,0,0,0,0,0,0,0,1603.162355,1780.618739,2452.585479,2039.952778,1618.584417,1367.050783,755.790843,163.574208,9.144576,5156.02583,6494.471781,9302.533147,9981.598197,7983.296131,6478.482654,4760.641003,1936.346796,279.7536999,190.4411,196.827788,343.997916,451.042984,580.53114,299.505724,334.931628,206.343936,60.466176,37.79170648,48.49460896,71.89114818,84.23112281,73.16255878,54.48276242,45.09756585,21.36556401,4.001516144,4353.420349,3844.69868,7272.910459,9510.619007,14310.48081,6437.620288,7906.799802,5165.988309,1664.258868,54.59027778,65.54166667,98.16666667,128.1666667,123.1666667,88.5,81.25,42,9,59.37638352,65.94884219,51.09553081,32.38020283,19.26886211,32.54882817,15.74564256,5.4524736,1.016064,190.9639196,240.5359919,193.8027739,158.4380666,95.03923965,154.249587,99.1800209,64.54489321,31.08374443,7.053374074,7.289918074,7.16662325,7.159412444,6.911085,7.131088667,6.97774225,6.8781312,6.718464,1.399692833,1.796096628,1.497732254,1.337001949,0.870982843,1.297208629,0.939532622,0.712185467,0.444612905,161.2377907,142.3962474,151.5189679,150.9622065,170.3628668,153.2766735,164.7249959,172.1996103,184.917652,2.02186214,2.427469136,2.045138889,2.034391534,1.466269841,2.107142857,1.692708333,1.4,1,0.058937008,-0.004596353,-0.002934013,-0.046788086,0.035651818,-0.016851789,-0.009007467,0.001995746,0.013061641,789.1710216,-9.17E-13,166.4034856,-926.6780936,804.6156565,-429.4604928,-201.2784676,10.96070863,180.8516925,1467.497214,3.69E-13,309.4343872,-1723.197486,1496.217172,-798.600125,-374.2859055,20.38190574,336.3014448,0.154593185,1.50E-15,0.0325973,-0.181529877,0.157618683,-0.084128362,-0.03942907,0.002147128,0.035427605,6.560395338,1.65E-14,1.383315684,-7.703494526,6.688786914,-3.57011413,-1.673232144,0.091116602,1.503423932,35.6361716,-1.87E-13,7.514192749,-41.84550453,36.33359667,-19.39291661,-9.089023564,0.494946828,8.166622658,5.472736626,-1.334619342,3.178612254,-6.74734225,5.998914037,-2.679040924,-1.711562643,-0.536065386,1.09473594,0.002182852,-1.70E-04,-6.11E-05,-7.43E-04,4.24E-04,-4.01E-04,-1.88E-04,6.65E-05,0.001451293,29.22855636,-3.39E-14,3.466739284,-14.70917609,9.578757816,-10.22524983,-4.193301409,0.365356954,20.0946325,54.35174865,1.37E-14,6.446549733,-27.35234104,17.81210919,-19.01428869,-7.797623031,0.679396858,37.3668272,0.005725674,5.57E-17,6.79E-04,-0.002881427,0.001876413,-0.002003056,-8.21E-04,7.16E-05,0.003936401,0.242977605,6.11E-16,0.028819077,-0.122277691,0.079628416,-0.085002717,-0.034859003,0.00303722,0.167047104,1.319858207,-6.91E-15,0.156545682,-0.664214358,0.432542818,-0.46173611,-0.189354658,0.016498228,0.907402518,0.202693949,-0.049430346,0.066221089,-0.107100671,0.071415643,-0.063786689,-0.035657555,-0.017868846,0.121637327,-0.077987554,-0.028002478,-0.340228277,0.194436624,-0.183811387,-0.085968061,0.030476115,0.664861077,-1.16E-15,0.118607955,-0.503246753,0.327719156,-0.349837662,-0.143465909,0.0125,0.6875,2.52E-16,0.118607955,-0.503246753,0.327719156,-0.349837662,-0.143465909,0.0125,0.6875,9.73E-15,0.118607955,-0.503246753,0.327719156,-0.349837662,-0.143465909,0.0125,0.6875,2.51E-15,0.118607955,-0.503246753,0.327719156,-0.349837662,-0.143465909,0.0125,0.6875,-5.23E-15,0.118607955,-0.503246753,0.327719156,-0.349837662,-0.143465909,0.0125,0.6875,-0.243866905,0.326704812,-0.528386127,0.352332389,-0.314694587,-0.175918202,-0.088156782,0.600103393,1.19358449,0.927491908,1.362214962,0.502241972,1.352217486,1.177839265,1.000351792,0.322862889,1.181818182,0.955610795,1.551136364,0.522321429,1.377029221,1.038707386,0.797727273,0,1.181818182,0.955610795,1.551136364,0.522321429,1.377029221,1.038707386,0.797727273,0,1.181818182,0.955610795,1.551136364,0.522321429,1.377029221,1.038707386,0.797727273,0,1.181818182,0.955610795,1.551136364,0.522321429,1.377029221,1.038707386,0.797727273,0,1.181818182,0.955610795,1.551136364,0.522321429,1.377029221,1.038707386,0.797727273,0,1.451640192,0.599351443,1.572610208,0.408470184,1.523515234,1.190798595,0.950164489,0,50.93994562,25.46997281,39.21302533,50.93994562,4.630904147,25.46997281,1.07E-14,0.177477013,0.016134274,-1.901805598,48.29051636,4.390046942,4.264958712,50.93994562,25.46997281,39.21302533,50.93994562,4.630904147,25.46997281,1.07E-14,0.177477013,0.016134274,-1.901805598,48.29051636,4.390046942,4.264958712,50.93994562,25.46997281,39.21302533,50.93994562,4.630904147,25.46997281,1.07E-14,0.177477013,0.016134274,-1.901805598,48.29051636,4.390046942,4.264958712,50.93994562,25.46997281,39.21302533,50.93994562,4.630904147,25.46997281,1.07E-14,0.177477013,0.016134274,-1.901805598,48.29051636,4.390046942,4.264958712,50.93994562,25.46997281,39.21302533,50.93994562,4.630904147,25.46997281,1.07E-14,0.177477013,0.016134274,-1.901805598,48.29051636,4.390046942,4.264958712,50.93994562,25.46997281,39.21302533,50.93994562,4.630904147,25.46997281,1.07E-14,0.177477013,0.016134274,-1.901805598,48.29051636,4.390046942,4.264958712,68.34751977,33.78613498,53.71542849,68.22929203,6.202662912,33.78613498,-0.26010101,0.32382353,0.029438503,-1.240312229,80.83558507,7.348689552,4.831659006,0,11.85,12.15012665,-0.210035514,0.09011501,6.543796875,9.22010767,11,27,24,21,5,3,0,0,0,6,17.491312,3.798204829,3.448340697,2.735485438,2.619181914,2.333552793,2.333552793,1.962208982,0.941428501,2.006450065,1.814398259,1.249629723,1.249629723,1.225556415,1.082250302,0.782848853,0.310513972,3.810509716,3.471975255,2.762740406,2.645815032,2.405454588,2.405454588,2.023274364,1.053336623,1.971393403,1.759805755,1.145197774,1.134540686,1.134540686,1.007167592,0.675295478,0.150156259,3.866870293,3.578321094,2.894065996,2.771820215,2.704236987,2.704236987,2.284194652,1.517793787,1.878645945,1.599958258,0.922403891,0.798620231,0.76031856,0.76031856,0.334231418,0.396843083,3.819683124,3.489526415,2.783448606,2.665925019,2.457539916,2.457539916,2.06797601,1.134811365,1.950106866,1.72499676,1.094949447,1.058262671,1.058262671,0.960278991,0.604749021,0.041902902,3.895959046,3.631294835,2.964311445,2.838982085,2.838982085,2.838078588,2.404897408,1.721464227,1.852197661,1.551035422,0.859073016,0.738564276,0.631337262,0.631337262,0.21960669,0.594311107,3.843020267,3.452903898,2.797414871,2.753765251,2.561037979,2.561037979,2.084659527,1.252975057,1.96098994,1.708179994,1.067545579,0.944711449,0.944711449,0.861393398,0.539132125,0.087306151,0,0,0,5,1,3,1,0,1,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,1.764784317,0.353553391,0,0,1.678511302,0.353553391,0,0,1.003109643,1.826859552,2.030983697,0.725338414,1.151818338,1.068583929,8.319990956,5.078298262,5.268820162,2.625792442,2.257289215,1.573206584,0.679412342,0.378355001,0.756362814,0.461663478,0.351254677,0.201984034,0.141080576,0.098325411,0.067941234,0.047294375,7.593858127,4.117790384,4.223035427,1.577278893,1.208234137,0.692612282,0.288768776,0.140531591,0.690350739,0.37434458,0.281535695,0.121329146,0.075514634,0.043288268,0.028876878,0.017566449,15.33462243,26.10269483,24.80392157,25.08,17.38843593,204.4541246,0.567948979,0.966766475,0.918663762,0.928888889,0.644016145,7.572374983,3.2752,49.601,47.75157792,70.65353146,95.50315584,8.682105076,47.75157792,0.290517227,0.026410657,-1.359701643,45.49453131,4.135866483,4.199351341,103,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,4,0,0,5,0,0,0,0,0,0,0,0,3,0,1,0,0,5,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.06032407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.978027211,0,1.123153345,0,0,1.978027211,0,0,0,0,0,0,0,0,6.791666667,0,1.160555556,0,0,10.62976852,0,0,0,0,1.430555556,0,0.40412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.430555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.376597222,0,0.25461593,0,0,0.376597222,0,0,0,0,0,0,0,0,2.263888889,0,1.160555556,0,0,2.061666667,0,0,0,0,1.430555556,0,0.40412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.185763889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.417749433,0,0.359305556,0,0,0.417749433,0,0,0,0,0,0,0,0,2.263888889,0,1.160555556,0,0,2.185763889,0,0,0,0,1.430555556,0,0.40412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.41666667,1.856060606,0.417749433,2.263888889,0.085972222,0.40412037,7.056809167,0.84587963,0.263888889,2.84287037,0.84587963,0.263888889,2.84287037,5.5,0.5,0,0,0.46296,0.7,0.43333,0.43333,0.7,0.02963,0.02963,0,0,0.71429,0,0,0.27273,0.09091,0.09091,11.5,1.04545,5.5,0.5,6,0.54545,0.5,0.04545,0,0,8.91811,0.81074,13.94256,5.02446,0.45677,3.09611,0.28146,5.07829,1.98218,0.1802,0.33571,0.03052,0.42171,0.03834,0.222222222,11,0,0,0,0,0,0,0.454545455,0.975119065,2.309409122,2.767897114,3.123809724,3.299916668,3.299916668,26.32821475,62.3540463,74.73322207,84.34286254,89.09775004,89.09775004,0.20507721,0.485691643,0.582116215,0.656968166,0.694005203,0.694005203,3.779768437,2.44547838,1.986990389,1.631077778,1.454970834,1.454970834,0.198724436,0.470646141,0.564083723,0.63661695,0.672506673,0.672506673,6.784181073,16.95897493,19.39750594,21.69200192,21.86948691,21.86948691,41.99082118,31.0845179,26.75121011,22.94146621,22.41314538,22.41314538,9.090909091,3.6,3.786982249,5,6,3,2.67,1.4209,1.5,4.382604687,1,3,7.732315986,3.965406457,2.00414513,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.184,0.171,0.474,0.643,5.004,15,13,16,16,10,8,6,0,0,106,2.708050201,3.198673118,3.457892725,3.944006051,4.342993404,3.840795496,3.840795496,3.840795496,0,0,5.839187112,3.231132075,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.181818182,5,0.454545455,0,3,6,1,3.5,0.666666667,0.6875,0.471111111,0.1875,0.12,0,0,0,0,0.318181818,0.044444444,0.06875,0.052345679,0.026785714,0.04,0,0,0,0,0.550507656,29.8697982,45.45188901,59.73959639,5.430872399,29.8697982,0.008424707,7.66E-04,-5.25424525,56.42187957,5.129261779,4.436142721,0,167.6464548,4.459431619,3.970291914,4.691347882,5.549076085,6.289715571,7.149131599,7.897668151,8.754791764,9.507551895,10.36220903,86.17178389,3.135494216,0,4.418840608,0,5.866468057,0,7.379632153,0,8.92305822,9.166597449,148.1252005,5.486118537,21.30577922,1.93688902,0,0,0,160,10,4.621,52,1.237974213,2.163185325,3.007650409,3.568194497,4.448587349,4.879170395,5.821540851,6.561875853,0,0,91.72403858,122.0087082,100.9566212,76.17691365,153.8196626,83.55221619,31.57783453,6.667285827,0,0,321.3314287,450.0883999,486.9181596,362.6737491,703.0043885,513.6858637,374.514057,203.967672,0,0,9.056988609,15.56488486,21.55736936,24.72298627,31.72524195,34.15563428,40.03542069,44.08572669,0,0,2.351319141,3.422324507,4.085270453,3.258786244,5.846052892,4.798004304,4.136127695,2.917494684,0,0,174.2745411,323.4089166,452.2778626,603.2250399,682.2555787,795.1803387,1002.937106,1213.406676,0,0,3.072264742,4.608663142,6.172195541,5.388087099,9.395146917,8.546439979,8.135373771,6.561875853,0,0,0.484370495,0.710900405,0.862163821,0.699881328,1.233168935,1.032925649,0.914509193,0.671936087,0,0,284.4895407,166.2844212,11.18233277,84.56542377,-49.42857481,-4.980057556,199.924117,215.712996,16.16239032,0.770859542,0.450568173,0.030299912,0.229140458,-0.133932827,-0.013494081,104.9922774,61.36809117,4.126895423,31.20928947,-18.24186092,-1.837914965,0.106123012,0.105631478,2.162193371,1.408514241,369.0549645,0,1,0,788.965793,28.0885349,9.240299714,945.0199318,30.74117649,9.813267923,1458.444086,38.18958086,11.34044059,1.881577856,1.881577856,763.8106439,688.9066543,204.4607651,1.108728794,3.735732102,3.369383138,4.491914012,4.443441828,7.963232428,0.792131581,4.892245715,5.667025129,5.618495381,22.3552774,5.231482439,10.42485406,8.954431943,9.807046105,8.082286836,3.15026346,7.628596872,2.958415076,3.138516016,1.271597639,1.71814109,4.99E-13,2.93E-47,3.44E-103,8.03E-181,3.71E-280,0,0,0,0,0,0,0,0,0,0,0.409034693,5.666679795,0.412812432,9.588478441,1.849085875,2.001303699,0.749939531,2.639217171,1.663638625,0.187709982,1.37139717,0.327708938,0.092600331,0.06848817,0.012101008,3.52E-15,2.06E-49,2.42E-105,5.66E-183,2.61E-282,0,0,0,0,0,0,0,0,0,0,1.321232642,5.666703381,1.370652675,11.43098903,2.334891032,3.229511148,1.655128355,3.881867588,2.418496251,0.615453971,2.550381277,0.667171945,0.411465907,0.246277818,0.126101835,3.67E-14,2.15E-48,2.52E-104,5.89E-182,2.72E-281,0,0,0,0,0,0,0,0,0,0,4.616753396,5.666987395,5.262749899,21.3036144,4.952028857,9.735393417,8.179927053,9.290246624,7.492886091,2.906289695,7.210780205,2.727489027,2.844901602,1.173962055,1.530832778,4.45E-13,2.61E-47,3.06E-103,7.16E-181,3.30E-280,0,0,0,0,0,0,0,0,0,0,1.948295242,5.666733499,2.059282603,12.92250343,2.729135202,4.218490078,2.504999411,4.800366176,3.101569928,0.961634748,3.388887509,0.958850493,0.720285725,0.388453283,0.273910037,7.96E-14,4.67E-48,5.48E-104,1.28E-181,5.91E-281,0,0,0,0,0,0,0,0,0,0,5.913443066,5.667183683,6.977736562,26.55577759,6.34836178,13.17492714,12.13117364,11.8090739,10.4876332,4.124675598,9.215046057,3.892769361,4.347293863,1.660328116,2.505747306,7.28E-13,4.27E-47,5.01E-103,1.17E-180,5.40E-280,0,0,0,0,0,0,0,0,0,0,2.753116188,4.255545658,2.746418994,14.25676146,2.86926231,5.443622713,3.70518579,5.875220304,3.954375723,1.284083054,4.530628136,1.417899174,1.177218336,0.593896435,0.498740364,1.45E-13,8.49E-48,9.98E-104,2.33E-181,1.08E-280,0,0,0,0,0,0,0,0,0,0,4.999605096,1.665481051,0.853566741,0.664960222,0.221513225,0.487219997,0.521854637,0.336255077,7.518652888,14.01584341,28.64193106,0.497440334,1.345329711,4.373819674,0.943092183,0.441397163,0.759566682,0.163779363,0.376405487,0.167255669,0.090529473,5.75830902,6.471784953,14.05081981,0.639350022,0.634190629,4.597871939,1.202692031,0.590414051,0.719431662,0.188185913,0.414346921,0.2720536,0.161681198,6.39097802,8.954558408,18.61042218,0.579147493,0.848081718,4.981388854,1.644566923,0.841739036,0.66705844,0.220224174,0.483779632,0.5088247,0.32708748,7.467694813,13.76955297,28.13296532,0.50058766,1.319691812,4.707403061,1.329201589,0.662656208,0.702674991,0.198410185,0.433595367,0.332325425,0.203433564,6.699260859,10.25728118,21.10284,0.554012486,0.969354355,5.05770379,1.732141412,0.891226708,0.658463278,0.225507772,0.498279635,0.564485285,0.366263384,7.68107191,14.81194957,30.30075403,0.487694917,1.429028305,4.99282096,1.646918101,0.841006516,0.667422907,0.220154273,0.486027683,0.510329202,0.326569265,7.480745576,13.80683102,28.2029774,0.501134361,1.32292615 +UMLYSI0100,L,"1,4-diethylbenzene",CCC1=CC=C(C=C1)CC,aromatic,C10H14,105-05-5,7734,PubChem,,270.7,0,1.626,2.643876,49.2166,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2005.6539,1915.914515,1263.172182,697.287531,421.79189,269.399257,84.835296,4670.34144,5841.481647,7855.078337,8077.010367,6523.510579,4249.12541,2367.4049,1695.218043,1061.424631,169.463656,175.052008,300.821808,362.062604,340.19196,312.780396,166.87892,105.590692,123.32736,34.11358067,43.47862034,61.52167806,65.85463273,56.81294697,40.41907011,22.04859796,15.70279472,12.01662072,3856.790689,3411.659229,6369.569539,7964.771286,7509.864184,7511.022367,4003.826014,2397.690441,3137.747111,48.05555556,58.33333333,86.33333333,99.44444444,93,69.58333333,34,25,24,60.70275442,67.17251842,47.75366429,37.56695127,26.31608712,15.49527847,17.57466208,17.95995047,4.713072,194.59756,243.3950686,187.0256747,158.3727523,135.9064704,94.42500911,98.64187085,113.0145362,58.96803508,7.060985667,7.293833667,7.162424,7.099266745,7.0873325,6.950675467,6.953288333,7.039379467,6.85152,1.421399194,1.811609181,1.464801859,1.291267308,1.183603062,0.898201558,0.918691582,1.046852981,0.66759004,160.6996121,142.1524679,151.6564176,156.171986,156.4555038,166.9116082,166.8260839,159.8460294,174.3192839,2.002314815,2.430555556,2.055555556,1.949891068,1.9375,1.546296296,1.416666667,1.666666667,1.333333333,0.050013515,-0.002270437,-0.008026888,-0.00814019,-0.027731218,0.009794285,0.010634473,-0.004264409,1.17E-04,706.2183858,-7.82E-14,15.13325112,-17.65545965,-484.264036,-2.522208521,40.35533633,-168.9879709,75.66625563,1313.243245,2.42E-13,28.14092668,-32.83108113,-900.5096538,-4.690154447,75.04247115,-314.2403479,140.7046334,0.138343333,2.23E-15,0.0029645,-0.003458583,-0.094864,-4.94E-04,0.007905333,-0.033103583,0.0148225,5.870808328,1.35E-14,0.125803036,-0.146770208,-4.025697139,-0.020967173,0.335474762,-1.404800564,0.629015178,31.89032402,-1.08E-13,0.683364086,-0.7972581,-21.86765075,-0.113894014,1.822304229,-7.630898961,3.41682043,4.49537037,-0.49537037,0.447916667,0.704282407,-3.550925926,-0.977430556,0.768518519,-0.316550926,0.086805556,0.002083896,-9.46E-05,-1.91E-04,-1.60E-04,-5.78E-04,2.18E-04,4.43E-04,-2.84E-04,6.49E-06,29.42576608,-3.26E-15,0.360315503,-0.346185483,-10.08883408,-0.056049078,1.681472347,-11.26586473,4.203680868,54.71846854,1.01E-14,0.670022064,-0.643746689,-18.76061779,-0.104225654,3.126769631,-20.94935653,7.816924078,0.005764306,9.31E-17,7.06E-05,-6.78E-05,-0.001976333,-1.10E-05,3.29E-04,-0.002206906,8.23E-04,0.244617014,5.62E-16,0.00299531,-0.002877847,-0.08386869,-4.66E-04,0.013978115,-0.093653371,0.034945288,1.328763501,-4.51E-15,0.016270573,-0.015632512,-0.455576057,-0.002530978,0.075929343,-0.508726597,0.189823357,0.187307099,-0.020640432,0.010664683,0.013809459,-0.073977623,-0.021720679,0.032021605,-0.021103395,0.004822531,-0.04539647,-0.091711069,-0.076592854,-0.277237249,0.104444141,0.212631992,-0.136424205,0.003115833,-1.11E-16,0.012244898,-0.011764706,-0.342857143,-0.001904762,0.057142857,-0.382857143,0.142857143,1.84E-16,0.012244898,-0.011764706,-0.342857143,-0.001904762,0.057142857,-0.382857143,0.142857143,1.62E-14,0.012244898,-0.011764706,-0.342857143,-0.001904762,0.057142857,-0.382857143,0.142857143,2.30E-15,0.012244898,-0.011764706,-0.342857143,-0.001904762,0.057142857,-0.382857143,0.142857143,-3.40E-15,0.012244898,-0.011764706,-0.342857143,-0.001904762,0.057142857,-0.382857143,0.142857143,-0.110195675,0.056936884,0.073726298,-0.394953656,-0.115962925,0.170957775,-0.112667353,0.025746653,1.139555048,1.019166524,1.073945316,1.461837621,0.978799807,0.62488832,0.78889843,0.557193361,1.15,1.032653061,1.005042017,1.314285714,0.876190476,0.821428571,1.314285714,0.657142857,1.15,1.032653061,1.005042017,1.314285714,0.876190476,0.821428571,1.314285714,0.657142857,1.15,1.032653061,1.005042017,1.314285714,0.876190476,0.821428571,1.314285714,0.657142857,1.15,1.032653061,1.005042017,1.314285714,0.876190476,0.821428571,1.314285714,0.657142857,1.15,1.032653061,1.005042017,1.314285714,0.876190476,0.821428571,1.314285714,0.657142857,1.279093718,0.896719141,0.925183256,1.548532441,1.023274974,0.444129763,0.93800206,0.852729145,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,42.48692342,21.24346171,31.61183316,42.48692342,4.248692342,21.24346171,-2.13E-14,8.88E-16,8.88E-17,-34.65735903,62.52018243,6.252018243,4.135489423,47.90330554,23.79609721,35.21145022,47.81663887,4.781663887,23.79609721,-0.144444444,4.44E-16,4.44E-17,-35.35050621,79.44653361,7.944653361,4.375084262,0,11.89,12.11015511,-0.156964492,0.065318248,5.499062742,8.366422458,10,24,21,18,4,3,0,0,0,6,15.304898,3.819612023,3.220958077,2.868110111,2.619181914,2.358697108,1.692954427,1.469983674,0.941428501,2.007143858,1.68895318,1.495098636,1.082250302,0.998265407,0.795641239,0.564763347,0.310513972,3.83060556,3.249474872,2.913334396,2.645815032,2.400317283,1.781060768,1.562752625,1.053336623,1.975512742,1.616884266,1.410559618,1.007167592,0.901611951,0.661051036,0.436582117,0.150156259,3.881168252,3.381837113,3.108430974,2.771820215,2.585426489,2.146465415,1.93615817,1.517793787,1.891770834,1.409394393,1.146412189,0.798620231,0.622886063,0.214487985,0.003797392,0.396843083,3.838812445,3.27089294,2.946492122,2.665925019,2.431080677,1.844946852,1.629330305,1.134811365,1.956281337,1.571234051,1.355301317,0.960278991,0.840420913,0.57113121,0.350637418,0.041902902,3.90737822,3.449579908,3.200418815,2.838078588,2.677168039,2.309455932,2.097347768,1.721464227,1.867974208,1.34734449,1.059712184,0.738564276,0.538152491,0.057695502,0.152954976,0.594311107,3.856927041,3.251018072,2.995046797,2.765994816,2.481928701,1.889840822,1.681250695,1.261914887,1.939880605,1.565694996,1.282703987,0.850296122,0.77397203,0.493991063,0.265924794,0.095113692,0,0,0,4,2,2,2,0,0,0,0,0,0.083333333,0.11785113,0,0,0,0.027777778,0.03928371,0.40824829,0,0,0,0.23570226,0,0,0,0.98559856,1.114807748,1.040440115,0.507867787,0.486815711,0.389442649,7.397341225,4.863703305,3.703247927,3.121027034,2.047980757,1.471404521,0.902368927,0.402368927,0.739734123,0.486370331,0.308603994,0.222930502,0.14628434,0.091962783,0.075197411,0.067061488,6.723614639,3.942687549,2.523603362,1.839467948,1.010667982,0.621785024,0.38131685,0.161900753,0.672361464,0.394268755,0.21030028,0.131390568,0.07219057,0.038861564,0.031776404,0.026983459,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.8114,45.198,42.38504202,55.88860613,84.77008404,8.477008404,42.38504202,2.22E-16,2.22E-17,-36.04365339,48.66129513,4.866129513,3.884883953,100,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,4,0,0,4,0,0,0,0,0,0,0,0,2,0,2,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.68462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.523888889,0,1.290555556,0,0,1.523888889,0,0,0,0,0,0,0,0,4.363000756,0,2.285702948,0,0,8.828703704,0,0,0,0,2.855925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.427962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.285972222,0,0,0.380972222,0,0,0,0,0,0,0,0,2.181500378,0,1.142851474,0,0,2.207175926,0,0,0,0,1.427962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.207175926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.359305556,0,0,0.380972222,0,0,0,0,0,0,0,0,2.181500378,0,1.142851474,0,0,2.207175926,0,0,0,0,1.427962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.33333333,1.833333333,0.380972222,2.207175926,0.142777778,1.142851474,6.19749274,0.357148526,0.207175926,2.383408919,0.357148526,0.207175926,2.383408919,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.58952,0.65895,11.43218,4.84266,0.48427,2.89931,0.28993,4.86369,1.96438,0.19644,0.05031,0.00503,0.13631,0.01363,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.284159128,2.688721876,2.855388542,3.022055209,2.855388542,23.51685016,54.81981907,64.52932501,68.52932501,72.52932501,68.52932501,0.213713581,0.498184909,0.586421781,0.622772496,0.659123212,0.622772496,3.605093744,2.300803373,1.896240625,1.729573959,1.562907292,1.729573959,0.206076118,0.480381319,0.565464877,0.60051653,0.635568183,0.60051653,6.772325919,16.88939319,17.29712166,19.29712166,19.4650925,17.4650925,37.92632204,28.0806892,27.54135417,24.37142917,23.84310834,27.01303334,8.1,4,2.285714286,2,6,2,2.56,1.28,0.142857143,3.888322594,1.264911064,0,6.580104012,7.559526299,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.894,12,14,14,16,12,6,0,0,0,94,2.63905733,3.113515309,3.590439381,3.986666548,4.466626252,4.1763085,3.640870235,0,0,0,5.7712464,3.403590426,0.428571429,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,0,4,7,0.75,2,0.888888889,0.25,0.382222222,0.180555556,0.040816327,0,0,0,0,0.2,0.074074074,0.022727273,0.063703704,0.060185185,0.020408163,0,0,0,0,0.441098399,26.03949385,39.44261809,52.0789877,5.20789877,26.03949385,1.11E-16,1.11E-17,-36.73680057,53.5839518,5.35839518,3.981249616,0,150.3504702,4.321928095,3.80666249,4.574710979,5.361292166,6.150602768,6.944087208,7.737616283,8.532475815,9.326967184,10.12202049,82.55643538,3.044522438,0,4.234106505,0,5.65248918,0,7.158513997,0,8.703008637,8.947285869,134.1095504,5.587897935,19.56874261,1.956874261,0,0,0,125,11,3.794,44,1.235929323,2.155875194,2.975641686,3.803836732,4.566033795,5.594309301,6.664643899,7.101571633,7.770062243,0,92.76161773,113.0020016,120.975645,110.0616251,77.59777087,107.0996996,124.5612713,34.88035524,7.894880523,0,323.5789178,430.315747,497.9720754,546.4760998,455.6354473,575.2974203,765.3068138,429.4015325,241.522629,0,9.045833162,15.49630435,21.18728354,27.0302283,31.81241711,38.94550368,46.93517949,48.70731116,52.20288346,0,2.362509317,3.318542686,4.006793867,4.685587632,4.265713631,5.27772955,7.045334901,4.825987878,3.454669945,0,173.7497847,323.0910679,460.1962355,589.9496882,756.4085721,930.0175256,1063.968971,1233.898383,1436.821666,0,3.091288087,4.586447867,5.971488447,7.554762251,7.230356102,8.027118635,11.20708468,9.595904344,7.770062243,0,0.486472119,0.691026444,0.84119524,0.993469427,0.919819599,1.135162869,1.511542492,1.070421116,0.795654374,0,319.5529872,163.6354549,11.3677643,95.28941392,-48.79543369,-4.907043392,224.2635733,212.4308886,16.27480769,0.770299724,0.394452097,0.027402609,0.229700276,-0.117624027,-0.011828693,132.5641285,67.88292504,4.715830638,39.53008928,-20.24241488,-2.035649663,0.121147959,0.119640932,3.04720661,1.147576518,414.8424012,0,1,0,729.0594248,27.00110044,9.00024454,865.5271791,29.41984329,9.530014688,1258.155968,35.47049433,10.79555135,2.113369874,2.00345672,775.0858015,710.1285047,130.7156286,1.091472594,5.929557237,5.432621274,4.414610774,5.14982236,8.719547178,0.69317436,4.231360714,4.769035699,4.031030525,10.73286412,7.303408908,6.465956902,5.937996307,8.930645953,6.373713909,5.21506595,2.504294461,3.752799098,3.841630156,3.10071201,2.006713434,0.442036949,3.86E-04,3.52E-27,6.24E-72,2.13E-138,1.40E-226,0,0,0,0,0,0,0,0,0,0.355218392,4.768829469,0.307969799,5.980646177,1.448965751,1.919301943,0.479116068,2.022312659,1.009859546,0.359875331,0.070195457,0.303867386,0.321941761,0.022184003,0.167756177,0.003113302,2.72E-06,2.48E-29,4.39E-74,1.50E-140,9.87E-229,0,0,0,0,0,0,0,0,0,1.146421676,4.768843705,1.013505975,6.588798835,2.059372658,2.654626464,1.431845705,3.112824574,1.796372003,1.143719377,0.318751029,0.734297423,1.010599468,0.228253569,0.541967916,0.032443011,2.83E-05,2.59E-28,4.58E-73,1.56E-139,1.03E-227,0,0,0,0,0,0,0,0,0,3.994066058,4.769013218,3.783855461,10.31391688,6.738188528,6.119427258,5.546658584,8.39464958,5.936253418,4.844532794,2.26744179,3.444877806,3.615620149,2.76284262,1.893723899,0.393846964,3.44E-04,3.14E-27,5.56E-72,1.90E-138,1.25E-226,0,0,0,0,0,0,0,0,0,1.689557927,4.76886175,1.513992834,7.113725146,2.651980601,3.216633583,2.13383055,3.956330449,2.427847973,1.743326858,0.563100838,1.111002881,1.492185395,0.495110495,0.799196569,0.070470555,6.15E-05,5.62E-28,9.94E-73,3.39E-139,2.23E-227,0,0,0,0,0,0,0,0,0,5.109956015,4.769130128,4.968067684,12.42939411,9.63098911,7.82642106,7.451832134,11.04358534,8.117295765,6.670212208,3.480987738,5.002779655,4.690407687,4.521327431,2.425528222,0.644669347,5.63E-04,5.14E-27,9.09E-72,3.10E-138,2.04E-226,0,0,0,0,0,0,0,0,0,2.351936423,4.063910293,2.051071843,7.471117297,3.819363791,4.313713073,3.193763487,5.184129208,3.400638457,2.519395191,0.846704007,1.682555816,1.714018635,0.923483806,1.191548891,0.131515125,1.15E-04,1.05E-27,1.86E-72,6.33E-139,4.17E-227,0,0,0,0,0,0,0,0,0,7.243996809,1.328376478,0.573011576,0.792093162,0.14525102,0.586457691,0.405966166,0.375935773,9.145384863,14.53482409,29.19415895,0.688139742,1.368359629,5.049650915,0.73281729,0.245119385,0.837756538,0.121577211,0.286163529,0.123552658,0.069534908,6.02758759,5.11786655,12.05251144,0.756634808,0.479251095,5.828642935,0.944348538,0.361972385,0.816912748,0.132355056,0.380530556,0.20517268,0.151318422,7.134963857,7.955906306,17.08326406,0.725369123,0.737021658,7.179290805,1.310826002,0.563389403,0.792984578,0.144786558,0.576073108,0.395310053,0.363577973,9.05350621,14.1940429,28.5494947,0.689476868,1.334961134,6.212140915,1.048435134,0.41928886,0.808886743,0.136517393,0.431935113,0.252892358,0.202630106,7.679864909,9.557305448,19.96800994,0.713330115,0.887457577,7.450710944,1.384441226,0.603737927,0.789363036,0.146674155,0.62025587,0.44095643,0.416736848,9.438890097,15.64918785,31.31567777,0.684044554,1.477949148,7.175032745,1.313403603,0.562642729,0.792726777,0.145110168,0.575284757,0.396866256,0.362234173,9.051079077,14.19967085,28.55293401,0.689090165,1.334385187 +UMLYSI0101,L,1-ethyl-2-methylbenzene,CCC1=CC=CC=C1C,aromatic,C9H12,611-14-3,11903,PubChem,,267,0,1.9611,3.84591321,44.3682,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1811.945363,1730.24881,1091.645693,418.834249,68.749632,3.048192,0,4184.657049,5188.491512,6941.531225,7153.864894,5777.269211,3454.660734,1080.621354,93.25123329,0,148.486212,153.276228,258.0923,299.576872,298.260788,291.380068,162.839808,20.155392,0,30.43545486,38.46263172,53.83398791,57.50203527,50.46311963,35.06558861,13.34643534,1.333838715,0,3360.161029,2978.619777,5445.36734,6454.021027,6522.071776,7040.720899,4310.843231,554.7529561,0,43.80555556,53.27777778,76.66666667,85.5,81.83333333,65.5,28,3,0,62.40808843,68.74581643,50.33181564,41.19640024,25.99156412,9.972244024,2.864568,1.016064,0,199.2693833,247.0710244,192.8203118,170.3301165,137.5540288,82.253827,45.02588975,31.08374443,0,7.070772,7.298868,7.169230556,7.132782667,7.101447333,6.937620667,6.784992,6.718464,0,1.449307374,1.831553891,1.495388553,1.369096078,1.201502848,0.834894967,0.556101472,0.444612905,0,160.0076681,141.839037,151.2602039,153.6671673,155.2874232,167.6362119,179.618468,184.917652,0,2.085978836,2.537037037,2.12962963,2.035714286,1.948412698,1.55952381,1.166666667,1,0,0.046050618,-7.60E-04,-0.007650617,-0.007931562,-0.024413667,-0.001953469,0.015368504,0.004315177,0,622.6251891,4.05E-13,56.82690218,-86.47572071,-536.1494684,-138.3611531,326.1370038,66.70984169,0,1157.798126,-5.68E-14,105.6720512,-160.8052953,-996.9928309,-257.2884725,606.4656852,124.0497992,0,0.121968,1.87E-15,0.011132,-0.01694,-0.105028,-0.027104,0.063888,0.013068,0,5.175896322,1.00E-14,0.472403236,-0.718874489,-4.457021833,-1.150199183,2.711183788,0.55456032,0,28.11555097,4.49E-14,2.566101874,-3.904937635,-24.21061333,-6.247900215,14.72719336,3.012380461,0,4.216931217,-0.498677249,0.595049131,-0.084656085,-2.835978836,-1.548941799,1.847316704,0.417422525,0,0.002192887,-3.62E-05,-2.13E-04,-1.89E-04,-5.81E-04,-4.65E-05,6.40E-04,0.001438392,0,29.64881853,1.93E-14,1.578525061,-2.058945731,-12.76546353,-3.29431317,13.58904183,22.2366139,0,55.13324411,-2.71E-15,2.935334756,-3.828697507,-23.73792455,-6.125916012,25.26940355,41.34993308,0,0.005808,8.91E-17,3.09E-04,-4.03E-04,-0.002500667,-6.45E-04,0.002662,0.004356,0,0.246471253,4.78E-16,0.013122312,-0.017116059,-0.106119567,-0.027385695,0.112965991,0.18485344,0,1.33883576,2.14E-15,0.071280608,-0.092974706,-0.576443175,-0.148759529,0.613633057,1.00412682,0,0.200806248,-0.023746536,0.016529143,-0.002015621,-0.067523306,-0.036879567,0.076971529,0.139140842,0,-0.016496526,-0.096912048,-0.086117864,-0.265074258,-0.021210021,0.292014342,0.655935523,0,6.50E-16,0.053240741,-0.069444444,-0.430555556,-0.111111111,0.458333333,0.75,0,-4.91E-17,0.053240741,-0.069444444,-0.430555556,-0.111111111,0.458333333,0.75,0,1.53E-14,0.053240741,-0.069444444,-0.430555556,-0.111111111,0.458333333,0.75,0,1.94E-15,0.053240741,-0.069444444,-0.430555556,-0.111111111,0.458333333,0.75,0,1.60E-15,0.053240741,-0.069444444,-0.430555556,-0.111111111,0.458333333,0.75,0,-0.11825596,0.082313885,-0.010037641,-0.336260979,-0.183657465,0.383312422,0.692910916,0,1.070326308,1.023853146,1.07960917,1.275491815,0.944577253,0.463057509,0.321522682,0,1.111111111,0.972222222,1.064814815,1.388888889,0.972222222,0.324074074,0,0,1.111111111,0.972222222,1.064814815,1.388888889,0.972222222,0.324074074,0,0,1.111111111,0.972222222,1.064814815,1.388888889,0.972222222,0.324074074,0,0,1.111111111,0.972222222,1.064814815,1.388888889,0.972222222,0.324074074,0,0,1.111111111,0.972222222,1.064814815,1.388888889,0.972222222,0.324074074,0,0,1.254705144,0.843527813,0.941028858,1.339397742,1.143350063,0.39523212,0,0,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,31.29066774,15.64533387,22.22882638,31.29066774,3.47674086,15.64533458,-1.07E-14,0.26577473,0.029530526,-1.192595589,61.72763881,6.858626534,3.710458607,36.23576186,17.81607589,25.97236485,36.17883457,4.019870507,17.81607597,-0.102469136,0.37732554,0.04192506,-0.877182266,72.05083751,8.005648612,3.849634752,0,11.89,12.11013444,-0.153436031,0.066826687,5.60477583,8.758382517,9,21,18,15,3,3,0,0,0,6,13.118484,3.815451989,3.075118137,2.865431575,2.491428186,2.065863181,1.546866472,0.758537801,0.747197571,2.001089275,1.602785818,1.412022506,1.039832623,0.874599477,0.593247241,0.240146238,0.01471024,3.826248511,3.108616922,2.897776128,2.527345752,2.126045991,1.635373201,0.883828322,0.860754725,1.96965727,1.524738108,1.327729192,0.956313159,0.765275453,0.471444993,0.072641088,0.118207023,3.876099621,3.262098246,3.05086035,2.686069931,2.379384915,1.993484364,1.399095904,1.311220731,1.886586455,1.293564866,1.083183019,0.718064375,0.427869257,0.058398234,0.508412398,0.608368734,3.834319181,3.133690294,2.922237609,2.553825451,2.169785349,1.699057902,0.975709513,0.941301543,1.950554195,1.474727355,1.27402322,0.903816696,0.694237042,0.389755254,0.041045521,0.211082119,3.902039899,3.339127454,3.130478172,2.764392088,2.496632893,2.148060088,1.618834385,1.501590733,1.863064053,1.222463142,1.01057788,0.645649001,0.316911535,0.092088778,0.723335556,0.795599327,3.839034369,3.139635782,2.976334468,2.618386285,2.227845203,1.737148036,1.089192619,1.015538651,1.948311357,1.441557916,1.19230821,0.828731117,0.622025831,0.32252006,0.167128766,0.28778457,0,0,0,4,2,2,1,0,0,0,0,0,0.083333333,0.142258898,0,0,0,0.027777778,0.047419633,0.402368927,0,0.11785113,0,0.24639964,0,0.058925565,0,1.069035594,1.408291245,1.304737854,0.590704015,0.686226046,0.511653807,6.690234444,4.342535255,3.43006888,2.813496153,1.999552237,1.209772801,0.469913203,0.176776695,0.743359383,0.482503917,0.311824444,0.216422781,0.153811711,0.1008144,0.078318867,0.058925565,6.016507858,3.388010441,2.280038013,1.642156173,1.006776424,0.470606092,0.168143667,0.058925565,0.668500873,0.376445605,0.207276183,0.126319706,0.07744434,0.039217174,0.028023944,0.019641855,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,2.27702,39.46,37.21619288,52.5703477,74.43238575,8.270265084,37.21619288,0.046958593,0.005217621,-2.752640152,68.11258832,7.568065368,3.799045842,67,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,4,0,0,0,0,0,0,0,0,2,0,1,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.35333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.619375,0,0.645277778,0,0,1.619375,0,0,0,0,0,0,0,0,4.334490741,0,1.145509259,0,0,8.494537037,0,0,0,0,2.858796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.402777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.390972222,0,0.285972222,0,0,0.390972222,0,0,0,0,0,0,0,0,2.15162037,0,1.145509259,0,0,2.07787037,0,0,0,0,1.402777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.175925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.417430556,0,0.359305556,0,0,0.417430556,0,0,0,0,0,0,0,0,2.18287037,0,1.145509259,0,0,2.175925926,0,0,0,0,1.456018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.83333333,1.87037037,0.417430556,2.18287037,0.131944444,1.145509259,5.536261296,0.354490741,0.18287037,1.658055556,0.354490741,0.18287037,1.658055556,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.22222,0.22222,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.47,0.60778,9.99821,4.52821,0.50313,2.30382,0.25598,4.34252,2.0387,0.22652,0.07148,0.00794,0.15748,0.0175,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.392317423,3.272804327,3.463280518,3.517816091,3.748994804,20.68979086,50.23866588,68.72889087,72.72889087,73.8741379,78.72889087,0.224307135,0.544659503,0.745120175,0.788485937,0.800902064,0.853534579,3.407089287,2,1.119513095,0.929036905,0.874501332,0.643322619,0.214882485,0.521774698,0.713812671,0.755356345,0.767250788,0.817671857,6.75154531,17.86857762,21.89657578,22.08854245,24.23725238,23.42336627,33.82580122,24.64405706,18.90378553,18.37337889,16.02690347,16.55066085,7.111111111,3.239669421,1.704142012,2,6,2,2.45,1.1391,0.25,3.377018974,2.149139864,0,5.085675265,5.676240019,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.395,11,13,13,12,6,3,1,0,0,77,2.564949357,3.068052935,3.548179572,3.929371644,4.298135385,3.725693427,3.168897455,2.151035195,0,0,5.596800274,3.487824675,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,3,0.333333333,0,3,5,0.666666667,1.5,1.111111111,0.5,0.262222222,0.0625,0,0,0,0,0,0.166666667,0.101010101,0.05,0.052444444,0.0625,0,0,0,0,0,0.432621212,19.67321585,27.79929374,39.34643171,4.371825745,19.67321587,0.085014734,0.009446082,-2.218437623,74.26283141,8.251425712,3.876849519,0,133.0544855,4.169925001,3.713572067,4.48863637,5.283203729,6.075346031,6.874198495,7.669961995,8.469472455,9.266058861,10.06564892,79.90609892,2.944438979,0,4.143134726,0,5.579729826,0,7.115582126,0,8.689296048,8.925587339,120.0939004,5.718757161,17.54892744,1.949880827,0,0,0,86,10,3.33,40,1.233966845,2.155093317,3.000666189,3.819210269,4.420215118,4.777148637,6.220278543,0,0,0,94.26734244,118.7051746,131.6302254,103.7908291,45.61340059,14.80906016,6.320201097,0,0,0,326.927337,443.1414145,534.7234087,540.4876822,367.2491985,223.5774916,193.3495485,0,0,0,9.036759105,15.50629783,21.45958117,27.16518487,30.6712233,32.4533896,41.79071746,0,0,0,2.379713299,3.386138227,4.254589692,4.687961117,3.710644342,2.724406816,2.765616112,0,0,0,173.1445827,322.0546381,456.9986303,589.8320892,740.6386675,854.8402013,1150.239303,0,0,0,3.225409968,4.753000374,6.276400712,7.584604518,6.907612954,5.674736759,6.220278543,0,0,0,0.489733493,0.703952203,0.891019855,0.995442579,0.809070336,0.612688146,0.636956523,0,0,0,259.5801144,120.1504104,10.44255981,99.94381434,-46.26044003,-5.266602834,159.6363001,166.4108505,15.70916264,0.722010675,0.334193084,0.029045521,0.277989325,-0.12867138,-0.014648824,93.32526254,43.1969476,3.754350127,35.93219278,-16.63173514,-1.893469742,0.134028234,0.132854339,3.371181196,1.796578619,359.5239287,0,1,0,666.9778556,25.82591442,8.737163679,784.0715378,28.00127743,9.221153035,1144.579632,33.83163656,10.46040913,1.347313736,1.347313736,474.6571509,338.7134069,177.4974476,1.401353301,2.674163248,1.908271986,3.998773862,3.785524729,6.661528955,0.759737271,3.673559607,3.820521846,4.590786654,10.23740683,4.813842919,6.319166611,6.877168027,7.357090679,3.122708575,3.634518214,1.761155313,0.549171909,1.80E-05,4.16E-31,1.96E-78,1.86E-147,3.51E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0.30840601,3.820354291,0.274931965,4.666165069,1.86286297,1.323321946,0.563264368,1.002141587,0.537807051,0.196045131,0.078625717,0.003867863,1.27E-07,2.93E-33,1.38E-80,1.31E-149,2.47E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0.995305602,3.820365864,0.9595795,5.33783913,2.197420708,2.070768121,1.745147155,1.98526584,0.926787916,0.70466418,0.299395334,0.040306111,1.32E-06,3.06E-32,1.44E-79,1.37E-148,2.58E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,3.467547315,3.820503583,4.257125,9.731648482,4.538447208,5.916989534,6.452810772,6.85694252,2.915412043,3.355653106,1.614755282,0.489302284,1.61E-05,3.71E-31,1.75E-78,1.66E-147,3.13E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,1.466840637,3.820380527,1.487857196,5.93714934,2.506599524,2.664721625,2.588219267,2.753399647,1.234979925,1.111194132,0.487370178,0.087550259,2.87E-06,6.64E-32,3.13E-79,2.97E-148,5.59E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,4.436330396,3.820598555,5.905038706,12.29699651,5.941078111,7.917628514,8.491318928,9.335062998,3.945927727,4.744652664,2.352482511,0.800915617,2.63E-05,6.07E-31,2.86E-78,2.71E-147,5.12E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,2.020531525,3.398089614,2.053022472,6.382626863,3.002149286,3.285271819,3.625681586,3.729530452,1.715392115,1.67143586,0.749658872,0.156983167,5.15E-06,1.19E-31,5.61E-79,5.32E-148,1.00E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,3.667802899,2.169309956,0.445355239,0.583815603,0.345295817,0.515577832,0.504739303,0.339826193,6.282468095,10.55619014,20.38217233,0.393667131,1.360143328,2.765226974,1.307792774,0.174104215,0.651082238,0.307924324,0.2934515,0.184772012,0.051735008,4.247123963,4.325473761,9.202218433,0.476623357,0.529958521,3.080908201,1.609343915,0.269027862,0.62124103,0.324511607,0.364075534,0.279115564,0.1237562,4.959279978,6.220049366,12.51323429,0.431861545,0.766947298,3.640584829,2.143359406,0.437181626,0.585197103,0.344529182,0.507970246,0.492846308,0.327444953,6.221125861,10.33171588,19.9642057,0.394589428,1.328261507,3.238202038,1.759504082,0.316303136,0.609370794,0.331106703,0.402101548,0.33321384,0.171187974,5.314009257,7.278419826,14.39460723,0.41405619,0.906503362,3.755009346,2.252443246,0.471541089,0.579566755,0.347653256,0.54033365,0.543773079,0.381040541,6.47899368,11.29070617,21.75796866,0.390830016,1.465147271,3.646201704,2.144521794,0.436674449,0.585509668,0.344368838,0.509585099,0.493696982,0.326898846,6.227397947,10.34802001,19.98993225,0.394817759,1.330180927 +UMLYSI0102,L,(3-methylbutyl)-benzene,CC(C)CCC1=CC=CC=C1,aromatic,C11H16,2049-94-7,16294,UML,,258.1,0,2.0987,4.40454169,53.3207,30.028688,6,6,27,11,16,0,11,0,0,0,0,0,0,0,0,0,1603.162355,1780.618739,2210.453461,1906.86049,1380.345295,1262.236927,1007.912141,522.71285,110.065536,5156.02583,6494.471781,8852.27832,8977.763734,7140.839648,5828.456401,5005.196641,3409.632809,1321.981609,190.4411,196.827788,343.950484,446.252968,460.349692,335.824828,255.155828,250.693832,144.281088,37.79170648,48.49460896,69.87829961,76.20394595,64.48454073,50.4611258,43.11292237,32.73540406,14.68832224,4353.420349,3844.69868,7261.976634,9892.160259,10907.43904,7865.077244,5635.131594,5968.477003,3628.909858,53.05555556,64.08333333,96,114.3888889,102.3333333,79.5,70.83333333,59.33333333,29,59.37638352,65.94884219,46.05111377,30.26762683,20.91432265,26.29660265,27.99755947,14.51980139,5.241216,190.9639196,240.5359919,184.422465,142.5041863,108.1945401,121.426175,139.03324,94.71202247,62.95150517,7.053374074,7.289918074,7.165635083,7.083380444,6.974995333,6.996350583,7.087661889,6.963717556,6.870528,1.399692833,1.796096628,1.455797909,1.209586444,0.977038496,1.051273454,1.197581177,0.909316779,0.699443916,161.2377907,142.3962474,151.2911799,157.0184168,165.2642279,163.8557759,156.5314332,165.7910279,172.8052313,1.965020576,2.37345679,2,1.815696649,1.550505051,1.65625,1.967592593,1.648148148,1.380952381,0.060104318,-0.002120181,-0.015709921,-0.025649827,0.002066526,0.020310842,-0.01496788,-0.005290967,0.002700127,789.1710216,-9.17E-13,-75.72853238,-334.7998274,102.1338759,184.3391907,-298.9284173,-119.5713669,27.40177158,1467.497214,3.69E-13,-140.8204397,-622.5745754,189.9223035,342.7865966,-555.8701566,-222.3480627,50.95476436,0.154593185,1.50E-15,-0.0148347,-0.065584988,0.020007325,0.036110782,-0.058558025,-0.02342321,0.005367819,6.560395338,1.65E-14,-0.629532886,-2.783198022,0.849041063,1.532415578,-2.484998234,-0.993999294,0.227791505,35.6361716,-1.87E-13,-3.419632628,-15.11837583,4.612004531,8.32410574,-13.49854985,-5.399419939,1.237367069,5.055555556,-0.361111111,1.111111111,-2.277777778,-0.111111111,1.722222222,-1.833333333,-1.111111111,-0.333333333,0.002226086,-7.85E-05,-3.27E-04,-4.07E-04,3.13E-05,4.23E-04,-4.16E-04,-1.47E-04,1.29E-04,29.22855636,-3.39E-14,-1.577677758,-5.314282974,1.547482968,3.840399805,-8.303567147,-3.321426859,1.304846266,54.35174865,1.37E-14,-2.93375916,-9.882136118,2.877610659,7.141387429,-15.44083768,-6.176335074,2.42641735,0.005725674,5.57E-17,-3.09E-04,-0.001041032,3.03E-04,7.52E-04,-0.001626612,-6.51E-04,2.56E-04,0.242977605,6.11E-16,-0.013115268,-0.044177746,0.012864259,0.031925325,-0.069027729,-0.027611091,0.010847215,1.319858207,-6.91E-15,-0.071242346,-0.23997422,0.069878857,0.17341887,-0.374959718,-0.149983887,0.058922241,0.187242798,-0.013374486,0.023148148,-0.036155203,-0.001683502,0.03587963,-0.050925926,-0.030864198,-0.015873016,-0.035275017,-0.147024885,-0.182895065,0.014065496,0.190083658,-0.186773771,-0.066022296,0.057759447,-1.16E-15,-0.053977273,-0.181818182,0.052944215,0.131392045,-0.284090909,-0.113636364,0.044642857,2.52E-16,-0.053977273,-0.181818182,0.052944215,0.131392045,-0.284090909,-0.113636364,0.044642857,9.73E-15,-0.053977273,-0.181818182,0.052944215,0.131392045,-0.284090909,-0.113636364,0.044642857,2.51E-15,-0.053977273,-0.181818182,0.052944215,0.131392045,-0.284090909,-0.113636364,0.044642857,-5.23E-15,-0.053977273,-0.181818182,0.052944215,0.131392045,-0.284090909,-0.113636364,0.044642857,-0.071428571,0.123626374,-0.193092622,-0.008991009,0.191620879,-0.271978022,-0.164835165,-0.08477237,1.154605298,1.084985412,1.129895834,0.779171591,0.717725493,1.316036715,1.145521717,0.95926607,1.181818182,1.121803977,1.171266234,0.84607438,0.789417614,1.274147727,0.997159091,0.75974026,1.181818182,1.121803977,1.171266234,0.84607438,0.789417614,1.274147727,0.997159091,0.75974026,1.181818182,1.121803977,1.171266234,0.84607438,0.789417614,1.274147727,0.997159091,0.75974026,1.181818182,1.121803977,1.171266234,0.84607438,0.789417614,1.274147727,0.997159091,0.75974026,1.181818182,1.121803977,1.171266234,0.84607438,0.789417614,1.274147727,0.997159091,0.75974026,1.264550265,0.813988095,1.141723356,0.827922078,0.68452381,1.494047619,1.222222222,0.979591837,56.52394965,28.26197482,44.74682708,56.52394965,5.138540877,28.26197482,-3.91E-14,0.262668061,0.023878915,-1.470550587,82.38526733,7.489569758,4.852547289,56.52394965,28.26197482,44.74682708,56.52394965,5.138540877,28.26197482,-3.91E-14,0.262668061,0.023878915,-1.470550587,82.38526733,7.489569758,4.852547289,56.52394965,28.26197482,44.74682708,56.52394965,5.138540877,28.26197482,-3.91E-14,0.262668061,0.023878915,-1.470550587,82.38526733,7.489569758,4.852547289,56.52394965,28.26197482,44.74682708,56.52394965,5.138540877,28.26197482,-3.91E-14,0.262668061,0.023878915,-1.470550587,82.38526733,7.489569758,4.852547289,56.52394965,28.26197482,44.74682708,56.52394965,5.138540877,28.26197482,-3.91E-14,0.262668061,0.023878915,-1.470550587,82.38526733,7.489569758,4.852547289,56.52394965,28.26197482,44.74682708,56.52394965,5.138540877,28.26197482,-3.91E-14,0.262668061,0.023878915,-1.470550587,82.38526733,7.489569758,4.852547289,72.42561005,35.80162558,58.52567365,72.31541721,6.574128837,35.80162558,-0.242424242,0.389118896,0.035374445,-1.038257369,51.98213581,4.72564871,4.345990129,0,11.85,12.15012665,-0.210044112,0.090104583,5.834898438,8.758383396,11,27,24,21,5,3,0,0,0,6,17.491312,3.786708553,3.414938335,2.896122454,2.619181914,2.34809265,2.333552793,1.611908317,0.984747854,1.995946122,1.824309784,1.421246166,1.249629723,1.082250302,0.961581507,0.688283049,0.380048069,3.799096531,3.442648415,2.927629472,2.645815032,2.405454588,2.38999029,1.696737551,1.106838981,1.960730845,1.765507319,1.340616211,1.134540686,1.007167592,0.871818889,0.556586618,0.221746726,3.855786091,3.564849485,3.075656528,2.771820215,2.704236987,2.572829816,2.052026711,1.590359358,1.867619252,1.589252194,1.106714313,0.798620231,0.76031856,0.609044565,0.118602788,0.323289599,3.808329406,3.463091039,2.951400671,2.665925019,2.457539916,2.420796569,1.758484449,1.193981071,1.939365228,1.727671031,1.289308258,1.058262671,0.960278991,0.814849211,0.468434597,0.114633945,3.885010236,3.624343541,3.152066205,2.838982085,2.838078588,2.6610644,2.211680408,1.795621205,1.841036369,1.533864308,1.036864766,0.738564276,0.631337262,0.526742011,0.034696164,0.523930796,3.859037267,3.419284302,2.95789367,2.774320393,2.578745991,2.453267407,1.78382405,1.26800435,1.927380265,1.719045304,1.261084605,0.928745991,0.842749222,0.752398738,0.39355702,0.03290404,0,0,0,5,1,2,2,1,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.612372436,0,0,0,0.526099421,0,0,0,0.721687836,0.760310363,0.953232759,0.508091231,0.406526265,0.464724665,8.104448007,5.2876937,4.475232964,2.877010098,2.044850395,1.658691914,0.739859598,0.421097666,0.736768001,0.480699427,0.34424869,0.221308469,0.146060742,0.103668245,0.07398596,0.052637208,7.378315178,4.327185822,3.418120544,1.853187633,1.100019039,0.796800933,0.348922122,0.175261141,0.670755925,0.393380529,0.26293235,0.142552895,0.078572789,0.049800058,0.034892212,0.021907643,15.33462243,26.10269483,24.80392157,25.08,17.38843593,204.4541246,0.567948979,0.966766475,0.918663762,0.928888889,0.644016145,7.572374983,3.2752,49.601,50.37495849,75.09746338,100.749917,9.159083361,50.37495849,0.217880865,0.019807351,-1.67618754,52.55140991,4.777400901,4.357971119,120,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,5,0,0,5,0,0,0,0,0,0,0,0,2,0,2,0,0,5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.13499433,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.000010629,0,1.375892149,0,0,2.000010629,0,0,0,0,0,0,0,0,4.533611111,0,2.516388889,0,0,10.67554989,0.815005669,0,0,0,1.459444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.459444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.382708333,0,0.237999221,0,0,0.382708333,0,0,0,0,0,0,0,0,2.266805556,0,1.220740741,0,0,2.068327664,0.815005669,0,0,0,1.459444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.196805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.420141015,0,0.359305556,0,0,0.420141015,0,0,0,0,0,0,0,0,2.266805556,0,1.295648148,0,0,2.196805556,0.815005669,0,0,0,1.459444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20,1.818181818,0.420141015,2.266805556,0.124097222,0.815005669,7.001675159,0.518327664,0.266805556,2.418321995,0.518327664,0.266805556,2.418321995,5.5,0.5,0,0,0.46296,0.7,0.43333,0.43333,0.7,0.02963,0.02963,0,0,0.71429,0,0,0.18182,0.18182,0,11.5,1.04545,5.5,0.5,6,0.54545,0.5,0.04545,0,0,8.14834,0.74076,12.96813,4.81979,0.43816,3.3055,0.3005,5.28768,1.98218,0.1802,0.12632,0.01148,0.21232,0.0193,0.222222222,11,0,0,0,0,0,0,0.454545455,0.975119065,2.411441993,3.278061466,3.633974076,3.810081021,3.810081021,26.32821475,65.1089338,88.50765958,98.11730005,102.8721876,102.8721876,0.20507721,0.507150167,0.689408838,0.764260789,0.801297826,0.801297826,3.779768437,2.343445509,1.476826036,1.120913426,0.944806482,0.944806482,0.198724436,0.491439934,0.668052691,0.740585918,0.776475641,0.776475641,6.784181073,18.18336937,21.03322551,23.32772149,23.50520648,23.50520648,41.99082118,29.13898734,23.67641196,19.86666807,19.33834723,19.33834723,9.090909091,4.792899408,3.786982249,5,6,4,2.67,1.4209,0.5,3.105994166,2,0,9.563073858,6.08969744,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.151,0.144,0.514,0.649,5.188,13,13,14,16,10,8,6,4,0,106,2.708050201,3.113515309,3.457892725,3.863357833,4.303220142,3.739156607,3.684180933,3.595598464,3.446011397,0,5.839187112,3.231132075,0.428571429,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.272727273,5,0.454545455,0,4,7,0.75,2,0.666666667,0.1875,0.311111111,0.201388889,0.08244898,0.055555556,0,0,0,0.181818182,0.051282051,0.01875,0.044444444,0.028769841,0.016489796,0.027777778,0,0,0,0.369332093,32.6230062,50.62993133,65.2460124,5.931455673,32.6230062,0.10643298,0.009675725,-2.464263768,56.18853653,5.108048775,4.431584036,0,167.6464548,4.459431619,3.891820298,4.615120517,5.38907173,6.137727054,6.914730893,7.673688129,8.450412158,9.21443199,9.990353086,84.27735585,3.135494216,0,4.317488114,0,5.680172609,0,7.118826249,0,8.594709634,8.858795106,148.1252005,5.486118537,21.53837725,1.958034295,0,0,0,174,10,4.584,48,1.237974213,2.164398561,2.95853536,3.65753289,4.561617429,5.649296347,6.38717184,7.536174652,8.372690454,0,91.72403858,109.176079,96.5615252,89.6530058,138.8622426,175.1597445,101.3831536,39.50900125,8.507189353,0,321.3314287,424.6237431,442.3152099,434.3651334,610.3304608,831.1565305,643.3289314,474.4910891,260.2545703,0,9.056988609,15.56020938,21.00611166,25.60311591,32.05236316,40.13254876,44.62071139,51.77786901,56.2516194,0,2.351319141,3.301194379,3.707085572,3.812611406,5.147328232,7.035930173,6.084003284,5.271751654,3.722606224,0,174.2745411,323.8926642,460.9314963,597.7918608,737.401375,877.826289,1047.891562,1302.260928,1548.25826,0,3.015312581,4.467937285,5.483746425,5.879807646,7.906710208,11.39326973,10.90034056,10.40802539,8.372690454,0,0.484370495,0.688289585,0.78350199,0.813751085,1.091239777,1.48910798,1.312667204,1.166870946,0.857363502,0,311.655416,185.4767167,12.28335157,88.52795386,-52.68599026,-5.266879298,223.1274622,238.1627069,17.55023086,0.778781527,0.463479321,0.030694308,0.221218473,-0.131654622,-0.013161165,124.7193146,74.2246975,4.915593023,35.4274149,-21.08405713,-2.107717506,0.104226597,0.105279711,2.441742459,0.970095148,400.1833699,0,1,0,788.965793,28.0885349,9.240299714,945.0199318,30.74117649,9.813267923,1364.719372,36.94210839,11.09211726,2.208022134,2.208022134,1099.268102,1009.86247,171.5785324,1.088532483,6.406792778,5.885715746,4.94056811,5.282500282,9.005339077,0.704749379,4.87082015,5.666909527,4.576146325,20.36797191,5.556354292,8.325279666,6.721335584,11.35430144,7.765827738,3.108711782,5.895242533,3.890015223,3.431335939,4.483607925,3.636030583,1.118332441,1.999108356,3.98E-11,1.58E-43,1.25E-97,1.96E-173,6.08E-271,0,0,0,0,0,0,0,0,0.408883791,5.666678981,0.342833985,7.374392777,1.470119376,1.265282745,0.54801669,1.701388141,1.75413086,0.499441806,1.407937031,1.653012567,1.332446325,0.246000865,0.239658531,0.011524048,0.014079884,2.80E-13,1.11E-45,8.82E-100,1.38E-175,4.28E-273,0,0,0,0,0,0,0,0,1.319660127,5.666694896,1.133223335,8.829117718,1.842917944,2.04520681,1.573400665,3.121006779,2.509300557,0.889787135,2.090077149,1.955001059,1.740033217,0.842954919,0.816799074,0.091450512,0.146723243,2.92E-12,1.16E-44,9.19E-99,1.44E-174,4.46E-272,0,0,0,0,0,0,0,0,4.597663603,5.666884395,4.290906301,19.14886376,5.143009118,7.659171025,6.260372549,10.56852104,7.230837172,2.898646454,5.537817045,3.698364042,3.295470486,4.129363854,3.387023677,0.998925619,1.781169554,3.54E-11,1.41E-43,1.12E-97,1.75E-173,5.41E-271,0,0,0,0,0,0,0,0,1.944879529,5.666715069,1.697689824,10.18331567,2.235798755,2.77691583,2.346988446,4.259058583,3.167831357,1.199987588,2.627769351,2.208219967,2.026017032,1.332329379,1.24746978,0.189666974,0.31870249,6.34E-12,2.52E-44,2.00E-98,3.13E-174,9.69E-272,0,0,0,0,0,0,0,0,5.882195893,5.667015087,5.661873261,25.362804,7.272074051,11.05715681,8.522356356,14.48491415,9.936226168,3.943632451,7.312545882,4.66172498,3.942755971,5.902876176,4.604638242,1.619085496,2.915511657,5.80E-11,2.31E-43,1.83E-97,2.87E-173,8.86E-271,0,0,0,0,0,0,0,0,2.721930695,4.494445633,2.335898871,11.43095037,2.641130948,3.855430229,3.358669139,5.495161173,4.126350104,1.594687387,3.261394912,2.803801947,2.724359851,1.975484629,1.942121348,0.352647558,0.604730278,1.20E-11,4.78E-44,3.79E-98,5.94E-174,1.84E-271,0,0,0,0,0,0,0,0,7.505555487,1.569162364,0.634879758,0.773003763,0.161609412,0.57477311,0.529079639,0.379322851,9.709597609,17.53878986,34.72564268,0.659505644,1.4831756,6.817320346,0.881003912,0.27811938,0.854681692,0.110450716,0.474210047,0.166523759,0.072875818,7.976443638,8.147139061,17.79399158,0.782022538,0.713609624,7.064639707,1.128360176,0.406340684,0.821532727,0.131214733,0.509231643,0.273323532,0.155487401,8.599340567,11.30060728,23.13907559,0.732299091,0.938042575,7.485628584,1.549245551,0.624552487,0.77495579,0.160386906,0.571725093,0.515714708,0.367092495,9.659426621,17.23982989,34.14223965,0.662433684,1.454532296,7.185165267,1.248877507,0.468818961,0.807062435,0.14027821,0.526752241,0.334919326,0.206937,8.902861735,12.92743046,26.03718818,0.710593652,1.068608567,7.569070235,1.632641821,0.667795885,0.766914651,0.165422819,0.584542621,0.572819362,0.419640431,9.869507942,18.50244606,36.62429549,0.650371976,1.577002414,7.508110007,1.552530736,0.624466001,0.775222226,0.160300839,0.575169078,0.517894008,0.366896866,9.685106744,17.31463364,34.27887301,0.662833339,1.459959951 +UMLYSI0103,L,(2-methylpropyl)-benzene,CC(C)CC1=CC=CC=C1,aromatic,C10H14,538-93-2,10870,UML,,257.6,0,2.1019,4.41798361,48.7581,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2016.744924,1710.103761,1293.563551,1007.912141,522.71285,110.065536,6.096384,4670.34144,5841.481647,7938.731209,7970.965389,6275.515845,5005.196641,3409.632809,1321.981609,186.5024666,169.463656,175.052008,301.220976,383.368068,397.08934,255.155828,250.693832,144.281088,40.310784,34.11358067,43.47862034,62.19060946,67.18241709,55.80050475,43.11292237,32.73540406,14.68832224,2.667677429,3856.790689,3411.659229,6337.774435,8413.205104,9465.745903,5635.131594,5968.477003,3628.909858,1109.505912,48.80555556,58.83333333,86.72222222,102.3333333,90.66666667,70.83333333,59.33333333,29,6,60.70275442,67.17251842,48.01773629,31.66858817,22.69409739,27.99755947,14.51980139,5.241216,1.016064,194.59756,243.3950686,189.0174097,147.6104702,110.0967692,139.03324,94.71202247,62.95150517,31.08374443,7.060985667,7.293833667,7.171928,7.099408667,6.966479649,7.087661889,6.963717556,6.870528,6.718464,1.421399194,1.811609181,1.480728797,1.244118835,0.978956224,1.197581177,0.909316779,0.699443916,0.444612905,160.6996121,142.1524679,150.8993913,155.8000945,166.0657176,156.5314332,165.7910279,172.8052313,184.917652,2.033564815,2.451388889,2.064814815,1.895061728,1.590643275,1.967592593,1.648148148,1.380952381,1,0.055969628,-0.002325399,-0.015537944,-0.022174919,0.014215111,-0.009076265,-0.004455644,0.002757718,0.008612528,706.2183858,-6.39E-14,-35.31091929,-348.0647759,279.9651458,-302.6650225,-110.9771749,37.83312781,126.110426,1313.243245,2.13E-13,-65.66216225,-647.2413136,520.6071436,-562.8185336,-206.3667957,70.3523167,234.5077223,0.138343333,2.24E-15,-0.006917167,-0.0681835,0.05484325,-0.05929,-0.021739667,0.00741125,0.024704167,5.870808328,1.36E-14,-0.293540416,-2.893469819,2.327356159,-2.516060712,-0.922555594,0.314507589,1.04835863,31.89032402,-1.08E-13,-1.594516201,-15.71737398,12.64223559,-13.66728172,-5.011336631,1.708410215,5.694700717,4.795138889,-0.524305556,1.014756944,-2.671006944,2.22265625,-1.953125,-1.039930556,-0.19921875,0.752604167,0.002332068,-9.69E-05,-3.70E-04,-4.11E-04,2.49E-04,-2.52E-04,-1.24E-04,1.31E-04,0.001435421,29.42576608,-2.66E-15,-0.840736174,-6.445643998,4.911669225,-8.407361736,-3.082699303,1.801577515,21.01840434,54.71846854,8.88E-15,-1.563384816,-11.98595025,9.133458659,-15.63384816,-5.73241099,3.350110319,39.08462039,0.005764306,9.32E-17,-1.65E-04,-0.001262657,9.62E-04,-0.001646944,-6.04E-04,3.53E-04,0.004117361,0.244617014,5.67E-16,-0.006989058,-0.053582774,0.04083081,-0.069890575,-0.025626544,0.014976552,0.174726438,1.328763501,-4.50E-15,-0.037964671,-0.291062481,0.221793607,-0.379646714,-0.139203795,0.081352867,0.949116786,0.199797454,-0.021846065,0.02416088,-0.049463092,0.038993969,-0.054253472,-0.02888696,-0.009486607,0.125434028,-0.041547521,-0.158636483,-0.17608692,0.106938532,-0.10810941,-0.053072163,0.056310503,0.615514368,-9.06E-17,-0.028571429,-0.219047619,0.166917293,-0.285714286,-0.104761905,0.06122449,0.714285714,1.62E-16,-0.028571429,-0.219047619,0.166917293,-0.285714286,-0.104761905,0.06122449,0.714285714,1.62E-14,-0.028571429,-0.219047619,0.166917293,-0.285714286,-0.104761905,0.06122449,0.714285714,2.32E-15,-0.028571429,-0.219047619,0.166917293,-0.285714286,-0.104761905,0.06122449,0.714285714,-3.38E-15,-0.028571429,-0.219047619,0.166917293,-0.285714286,-0.104761905,0.06122449,0.714285714,-0.109341057,0.120926865,-0.247566176,0.195167499,-0.271542361,-0.144581221,-0.047481121,0.627805938,1.132449451,1.072368745,1.118579938,0.703183479,1.208976695,1.078929313,0.909690408,0.304806016,1.15,1.079591837,1.204761905,0.726315789,1.25952381,0.985714286,0.751020408,0,1.15,1.079591837,1.204761905,0.726315789,1.25952381,0.985714286,0.751020408,0,1.15,1.079591837,1.204761905,0.726315789,1.25952381,0.985714286,0.751020408,0,1.15,1.079591837,1.204761905,0.726315789,1.25952381,0.985714286,0.751020408,0,1.15,1.079591837,1.204761905,0.726315789,1.25952381,0.985714286,0.751020408,0,1.276852522,0.813696079,1.201598412,0.629952869,1.393434709,1.139914716,0.913623668,0,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,43.57645389,21.78822694,33.7892003,43.57645389,4.357645389,21.78822695,0,0.253482826,0.025348283,-1.372459205,43.5129844,4.35129844,3.773059386,55.69519662,27.48193295,44.1417483,55.61286329,5.561286329,27.48193295,-0.205833333,0.393826147,0.039382615,-0.931845719,44.79299697,4.479299697,3.80205181,0,11.85,12.1501118,-0.210039885,0.090093376,5.915046875,8.758382354,10,24,21,18,4,3,0,0,0,6,15.304898,3.789006766,3.342782532,2.714137024,2.619181914,2.333552793,1.991026675,1.03455174,0.941428501,1.995474402,1.769108092,1.249629723,1.227481199,1.082250302,0.800475879,0.388803438,0.310513972,3.801300174,3.371187395,2.743216118,2.645815032,2.405454588,2.052252479,1.149393199,1.053336623,1.960998231,1.707192926,1.144381645,1.134540686,1.007167592,0.695427315,0.232322697,0.150156259,3.857488743,3.497438938,2.882184644,2.771820215,2.704236987,2.31168365,1.613351017,1.517793787,1.869199643,1.522809906,0.911976488,0.798620231,0.76031856,0.361064127,0.302656236,0.396843083,3.810459515,3.392201239,2.765246681,2.665925019,2.457539916,2.096944796,1.232027611,1.134811365,1.940003944,1.667461651,1.092229137,1.058262671,0.960278991,0.626486411,0.126668645,0.041902902,3.886396736,3.559369045,2.955930475,2.838982085,2.838078588,2.43062749,1.813415419,1.721464227,1.842881827,1.46529297,0.845311077,0.738564276,0.631337262,0.24777654,0.49737482,0.594311107,3.843075836,3.358724458,2.788464865,2.756996632,2.56382137,2.121028081,1.262297895,1.255336616,1.934162481,1.654344749,1.055177718,0.942199748,0.858459866,0.557880517,0.058638967,0.089369861,0,0,0,5,1,2,1,1,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.612372436,0,0,0,0.526099421,0,0,0,0.642228525,1.041888478,1.093412989,0.40824829,0.568203574,0.497341749,7.397341225,4.7876937,4.133584955,2.529482726,2.089508593,1.454567768,0.595522031,0.319035594,0.739734123,0.47876937,0.344465413,0.210790227,0.149250614,0.103897698,0.074440254,0.053172599,6.671208396,3.827185822,3.083569555,1.486775213,1.085497855,0.621750457,0.247856683,0.116910982,0.66712084,0.382718582,0.25696413,0.123897934,0.077535561,0.044410747,0.030982085,0.019485164,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,2.8851,44.984,42.8834899,62.95133481,85.7669798,8.57669798,42.8834899,0.20866802,0.020866802,-1.567010712,39.432933,3.9432933,3.67460133,92,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,4,0,0,5,0,0,0,0,0,0,0,0,2,0,1,0,0,5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.0525,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.017018141,0,1.154509637,0,0,2.017018141,0,0,0,0,0,0,0,0,4.486111111,0,1.195277778,0,0,10.61037037,0.766111111,0,0,0,1.44212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.44212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.386597222,0,0.25461593,0,0,0.386597222,0,0,0,0,0,0,0,0,2.243055556,0,1.195277778,0,0,2.059351852,0.766111111,0,0,0,1.44212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422851474,0,0.359305556,0,0,0.422851474,0,0,0,0,0,0,0,0,2.243055556,0,1.195277778,0,0,2.180555556,0.766111111,0,0,0,1.44212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.5,1.85,0.422851474,2.243055556,0.128472222,0.766111111,6.300647778,0.567222222,0.243055556,2.192962963,0.567222222,0.243055556,2.192962963,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.77025,0.67703,11.44878,4.67852,0.46785,2.8055,0.28055,4.78768,1.98218,0.19822,0.12632,0.01263,0.21232,0.02123,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.345437252,3.006866543,3.40726823,3.605388542,3.605388542,23.51685016,56.29049406,72.16479704,81.77443751,86.52932501,86.52932501,0.213713581,0.511549931,0.655810498,0.743139825,0.786350715,0.786350715,3.605093744,2.239525248,1.578095958,1.177694271,0.979573959,0.979573959,0.206076118,0.493268716,0.632373856,0.716582301,0.758248968,0.758248968,6.772325919,17.12993833,20.02005558,22.60136356,22.80103417,22.80103417,37.92632204,28.30072848,23.50450824,19.55839636,19.00651667,19.00651667,8.1,4,3.111111111,4,6,3,2.56,1.28,0.5,2.921736458,2.309401077,0,7.732315986,5.638173476,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.151,0.144,0.514,0.649,4.689,12,12,14,14,8,6,4,0,0,90,2.63905733,3.068052935,3.425889994,3.884137802,4.282724121,3.684180933,3.595598464,3.446011397,0,0,5.696883733,3.299305556,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,0,3,6,1,2,0.444444444,0.4375,0.311111111,0.118055556,0.08,0,0,0,0,0.2,0.037037037,0.048611111,0.044444444,0.023611111,0.04,0,0,0,0,0.393703704,25.9494466,39.59018999,51.8988932,5.18988932,25.9494466,0.07959737,0.007959737,-2.530774231,62.14969837,6.214969837,4.129545965,0,150.3504702,4.321928095,3.80666249,4.532599493,5.323009979,6.070737728,6.865891075,7.621195163,8.416046009,9.174609562,9.968479096,81.7792306,3.044522438,0,4.234106505,0,5.609471795,0,7.067319849,0,8.564267599,8.822174761,134.1095504,5.587897935,19.53512296,1.953512296,0,0,0,126,9,4.015,44,1.236512656,2.164893139,2.972026835,3.659293596,4.56951502,5.133377958,6.110736059,6.89017668,0,0,92.91185031,113.6894188,99.73067898,92.7325331,137.5065357,80.5737165,31.89507067,7.000860479,0,0,323.9803594,435.2000833,456.3252826,432.892308,657.7118569,513.18148,383.6797834,214.172491,0,0,9.050443239,15.57807896,21.14601639,25.56987818,32.41802114,35.84784872,41.97921029,46.29140398,0,0,2.364973853,3.358778008,3.809983369,3.77263303,5.594015405,4.862277544,4.266118654,3.063461469,0,0,173.8105839,323.0764279,459.6115134,601.9717126,713.3483057,843.2648233,1056.347337,1274.115294,0,0,3.110320404,4.618841899,5.739753288,6.017712973,9.089989763,8.722258016,8.426678369,6.89017668,0,0,0.486961494,0.699385126,0.804487555,0.8047512,1.185056689,1.049443129,0.944413034,0.705554092,0,0,281.4809422,152.5063086,11.40627028,80.22550987,-43.46616247,-4.772238689,201.2554323,195.9724711,16.17850897,0.778202713,0.421630048,0.031534606,0.221797287,-0.120169718,-0.013193679,101.8134729,55.1625158,4.125721553,29.01808454,-15.72199141,-1.726149524,0.114486752,0.115112832,2.33259961,0.999159556,361.706452,0,1,0,726.8842238,26.96079049,8.991284665,863.5642905,29.38646441,9.522805011,1260.551292,35.50424329,10.80239799,1.881577856,1.881577856,684.7027254,638.0471834,158.228628,1.073122401,4.327299896,4.032438324,4.385273631,4.443441828,7.963232428,0.792131581,4.313019043,4.718376127,4.219904881,16.92688574,3.969805921,7.606660033,6.852271374,9.032516812,6.173743988,2.460685802,5.145077108,2.958414696,2.061758656,1.271597638,1.71814109,4.99E-13,2.93E-47,3.44E-103,8.03E-181,3.71E-280,0,0,0,0,0,0,0,0,0,0,0.362071409,4.718203665,0.320295109,6.364459695,1.352085774,1.915353795,0.351300988,2.554590092,0.728437032,0.182850464,1.173155587,0.327708936,0.085016641,0.06848817,0.012101008,3.52E-15,2.06E-49,2.42E-105,5.66E-183,2.61E-282,0,0,0,0,0,0,0,0,0,0,1.168544053,4.718215621,1.055616701,7.641507844,1.626550945,2.852846605,1.174909508,3.621617746,1.332154153,0.564835768,1.903723397,0.667171917,0.332438009,0.246277818,0.126101835,3.67E-14,2.15E-48,2.52E-104,5.89E-182,2.72E-281,0,0,0,0,0,0,0,0,0,0,4.07114486,4.718357344,3.959709857,15.96931176,3.71761852,7.178919274,6.276208117,8.545641913,5.66074829,2.291886512,4.87355175,2.727488689,1.885530179,1.173962054,1.530832778,4.45E-13,2.61E-47,3.06E-103,7.16E-181,3.30E-280,0,0,0,0,0,0,0,0,0,0,1.722162239,4.71823073,1.578406665,8.779145213,1.892122666,3.562982814,1.889754324,4.42988936,1.89735924,0.851692051,2.429044194,0.958850433,0.54862657,0.388453283,0.273910037,7.96E-14,4.67E-48,5.48E-104,1.28E-181,5.91E-281,0,0,0,0,0,0,0,0,0,0,5.208570274,4.718455007,5.207660369,20.82541137,5.007924748,9.28045692,9.187369097,10.93772527,8.277101509,3.119000411,6.182622083,3.892768808,2.776944448,1.660328114,2.505747306,7.28E-13,4.27E-47,5.01E-103,1.17E-180,5.40E-280,0,0,0,0,0,0,0,0,0,0,2.384635892,3.717617015,2.114971537,9.693640947,1.941373299,4.451261201,2.872713161,5.416432489,2.497737768,1.111302522,3.168745491,1.427204365,0.870332758,0.597794022,0.502013467,1.46E-13,8.55E-48,1.00E-103,2.35E-181,1.08E-280,0,0,0,0,0,0,0,0,0,0,5.376272826,1.388346215,0.815192893,0.709288419,0.183163676,0.523255776,0.467385863,0.349228402,7.579811935,12.9785974,26.64311345,0.563932629,1.339870041,4.521775699,0.765469119,0.41851386,0.792493331,0.134157289,0.372708675,0.143888474,0.0939162,5.705758678,5.674064896,12.82841708,0.688739996,0.610513349,4.824583392,0.986749627,0.56005011,0.757227009,0.154872122,0.423069918,0.237802631,0.166884015,6.371383129,8.01529356,17.05288253,0.635840514,0.827756564,5.351010315,1.369996933,0.80357804,0.711136908,0.182069427,0.518429292,0.455241907,0.339530973,7.524585287,12.73172155,26.14723115,0.566705362,1.313202172,4.973877438,1.095616111,0.629420045,0.742490162,0.163551313,0.449104426,0.292525601,0.210050152,6.698913594,9.269721159,19.39863427,0.613735243,0.95168018,5.457003209,1.446960056,0.852269518,0.703563619,0.186554491,0.53883371,0.507234735,0.38106449,7.756232783,13.78010311,28.26591197,0.555345429,1.427132935,5.362975835,1.372072858,0.80293302,0.711460446,0.182021251,0.52077895,0.456634472,0.338951839,7.537981713,12.76618657,26.21246546,0.56719067,1.316365261 +UMLYSI0104,L,n-heptylbenzene,CCCCCCCC1=CC=CC=C1,aromatic,C13H20,1078-71-3,14115,PubChem,,257.1,0,-0.1185,0.01404225,55.0578,36.21586,6,6,33,13,20,0,13,0,0,0,0,0,0,0,0,0,1895.754853,2117.575333,2476.804526,2233.827804,1764.714177,1545.7754,1349.018671,1152.261942,955.505213,6127.394611,7800.45205,10454.24513,10489.44319,8874.682638,7700.578549,6693.780204,5686.981859,4680.183514,232.395988,240.379348,429.385784,569.62776,525.653316,461.97008,399.08518,336.20028,273.31538,45.1479581,58.5265862,84.24725561,90.23341524,78.52608231,68.16669064,59.14516178,50.12363292,41.10210406,5346.67967,4710.777583,9104.914119,13040.84119,12201.09048,10785.72554,9306.770382,7827.815227,6348.860072,60.27777778,73.41666667,113.3333333,131.75,116.5,102.0833333,89.83333333,77.66666667,65.5,57.44711676,64.16894948,41.28007543,27.57812104,23.52952236,23.42083939,23.66699423,24.00545712,24.50013367,185.6786246,236.3773349,174.2374188,129.4992987,118.3291018,116.6754326,117.4347404,118.4787887,120.0047055,7.042302667,7.284222667,7.156429733,7.032441481,7.00871088,6.999546667,7.001494386,7.0041725,7.008086667,1.368119942,1.773532915,1.404120927,1.113992781,1.047014431,1.032828646,1.037634417,1.044242352,1.053900104,162.0205961,142.7508359,151.7485686,160.9980394,162.6812064,163.4200839,163.2766734,163.0794839,162.7912839,1.826599327,2.224747475,1.888888889,1.62654321,1.553333333,1.546717172,1.576023392,1.618055556,1.679487179,0.069209247,-0.001062088,-0.027986273,-0.011847687,-0.004291863,0.006681281,8.26E-04,0.00199142,0.002529238,953.8534042,-1.16E-12,-277.8181419,-30.01636587,-76.70849055,14.67466776,10.67248564,6.670303526,2.66812141,1773.731136,9.95E-14,-516.6146981,-55.81671408,-142.6427137,27.28817133,19.84594278,12.40371424,4.961485696,0.186853333,2.69E-15,-0.054422667,-0.00588,-0.015026667,0.002874667,0.002090667,0.001306667,5.23E-04,7.929403456,1.90E-14,-2.30950807,-0.249526682,-0.637679299,0.121990822,0.088720598,0.055450374,0.02218015,43.07264542,-3.53E-13,-12.54528449,-1.355432898,-3.463884073,0.662656083,0.481931697,0.301207311,0.120482924,5.112794613,0.581649832,0.084481175,0.165059688,-0.764768901,-0.273569024,-0.417049281,-0.477196204,0.109121518,0.00209725,-3.22E-05,-4.66E-04,-1.46E-04,-5.72E-05,1.01E-04,1.45E-05,4.15E-05,6.49E-05,28.90464861,-3.51E-14,-4.630302364,-0.370572418,-1.022779874,0.222343451,0.18723659,0.138964657,0.068413369,53.74942837,3.01E-15,-8.610244968,-0.689095236,-1.90190285,0.413457141,0.348174435,0.258410713,0.127217582,0.005662222,8.16E-17,-9.07E-04,-7.26E-05,-2.00E-04,4.36E-05,3.67E-05,2.72E-05,1.34E-05,0.240284953,5.77E-16,-0.038491801,-0.003080576,-0.008502391,0.001848346,0.001556502,0.001155216,5.69E-04,1.30523168,-1.07E-14,-0.209088075,-0.016733739,-0.046185121,0.010040244,0.008454942,0.006275152,0.003089306,0.15493317,0.017625752,0.00140802,0.002037774,-0.010196919,-0.004144985,-0.007316654,-0.009941588,0.002797988,-0.015346036,-0.222404527,-0.069742635,-0.027285657,0.048268701,0.006906041,0.019782056,0.03092252,-1.21E-15,-0.160192308,-0.012820513,-0.035384615,0.007692308,0.006477733,0.004807692,0.002366864,5.61E-17,-0.160192308,-0.012820513,-0.035384615,0.007692308,0.006477733,0.004807692,0.002366864,1.44E-14,-0.160192308,-0.012820513,-0.035384615,0.007692308,0.006477733,0.004807692,0.002366864,2.40E-15,-0.160192308,-0.012820513,-0.035384615,0.007692308,0.006477733,0.004807692,0.002366864,-8.19E-15,-0.160192308,-0.012820513,-0.035384615,0.007692308,0.006477733,0.004807692,0.002366864,0.113763582,0.009087916,0.013152599,-0.065814949,-0.026753375,-0.047224581,-0.064166941,0.01805932,1.186014406,1.214179091,0.959056173,0.917568634,0.830005279,0.887691042,0.924796737,1.012589779,1.230769231,1.252307692,0.977777778,0.974769231,0.923076923,0.926315789,0.930769231,0.937278107,1.230769231,1.252307692,0.977777778,0.974769231,0.923076923,0.926315789,0.930769231,0.937278107,1.230769231,1.252307692,0.977777778,0.974769231,0.923076923,0.926315789,0.930769231,0.937278107,1.230769231,1.252307692,0.977777778,0.974769231,0.923076923,0.926315789,0.930769231,0.937278107,1.230769231,1.252307692,0.977777778,0.974769231,0.923076923,0.926315789,0.930769231,0.937278107,1.090549885,0.96634837,0.866059342,0.901731972,0.873230161,0.956206783,1.059433652,1.069881715,90.88582347,45.44291173,73.37306168,90.88582347,6.99121719,45.44291173,-1.42E-14,0.305633642,0.02351028,-1.540978585,224.0174619,17.23211245,7.035241205,90.88582347,45.44291173,73.37306168,90.88582347,6.99121719,45.44291173,-1.42E-14,0.305633642,0.02351028,-1.540978585,224.0174619,17.23211245,7.035241205,90.88582347,45.44291173,73.37306168,90.88582347,6.99121719,45.44291173,-1.42E-14,0.305633642,0.02351028,-1.540978585,224.0174619,17.23211245,7.035241205,90.88582347,45.44291173,73.37306168,90.88582347,6.99121719,45.44291173,-1.42E-14,0.305633642,0.02351028,-1.540978585,224.0174619,17.23211245,7.035241205,90.88582347,45.44291173,73.37306168,90.88582347,6.99121719,45.44291173,-1.42E-14,0.305633642,0.02351028,-1.540978585,224.0174619,17.23211245,7.035241205,90.88582347,45.44291173,73.37306168,90.88582347,6.99121719,45.44291173,-1.42E-14,0.305633642,0.02351028,-1.540978585,224.0174619,17.23211245,7.035241205,111.0278519,55.03413891,90.99647836,110.8925462,8.530195863,55.03413891,-0.251282051,0.39641459,0.03049343,-1.202883071,78.67474963,6.051903818,5.674918939,0,11.85,12.15015697,-0.210044168,0.090135903,5.137012829,8.738736069,13,33,30,27,7,3,0,0,0,6,21.86414,3.785249766,3.452977354,3.16444889,2.811525164,2.619181914,2.453603046,2.045484668,1.634507947,1.995151929,1.872132294,1.663712857,1.387589573,1.104976069,1.082250302,0.887531919,0.731038139,3.797623308,3.48204016,3.197954451,2.847427352,2.645815032,2.496862918,2.110013921,1.722605714,1.959528369,1.813069033,1.591787877,1.301665008,1.008001738,1.007167592,0.779707958,0.59908012,3.85427418,3.608829655,3.346729097,3.013442878,2.771820215,2.687336441,2.382557433,2.087978041,1.866108506,1.63390611,1.376530779,1.047776068,0.798620231,0.725575557,0.434139172,0.155894557,3.806846428,3.503402622,3.222747229,2.874372003,2.665925019,2.528727382,2.157087927,1.786502644,1.938019879,1.774875964,1.545578541,1.246609135,0.960278991,0.946315819,0.708912294,0.510387997,3.883510593,3.669840888,3.419395279,3.09762689,2.838078588,2.780856665,2.50656799,2.250595942,1.83952859,1.576879386,1.30891093,0.970328182,0.738564276,0.638954247,0.315625418,7.29E-04,3.901926174,3.451839686,3.216916782,2.906946111,2.817451889,2.579445747,2.20269778,1.839751539,1.898836845,1.765604594,1.518777746,1.196480972,0.87237671,0.80375336,0.613832722,0.410458387,0,0,0,5,1,1,6,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.612372436,0.649519053,0.219416097,0.27300174,0.255985446,9.355524862,6.431851653,4.706924542,3.440670698,2.512380893,1.832707785,0.91885662,0.582479147,0.719655759,0.494757819,0.336208896,0.229378047,0.157023806,0.10780634,0.076571385,0.05295265,8.629392033,5.471343774,3.649812122,2.411829883,1.577354774,1.019596295,0.541853264,0.313065596,0.663799387,0.420872598,0.260700866,0.160788659,0.098584673,0.059976253,0.045154439,0.028460509,18.41827804,31.87836854,30.25490196,30.6,20.98554491,250.5106347,0.558129638,0.966011168,0.916815211,0.927272727,0.635925603,7.591231355,4.1995,58.905,69.14448784,104.7671279,138.2889757,10.63761351,69.14448784,0.175157056,0.01347362,-2.264693918,86.20688746,6.631299036,5.793775098,201,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,7,0,0,5,0,0,0,0,0,0,0,0,1,0,6,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.26591482,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.977182554,0,1.804672959,0,0,1.977182554,0,0,0,0,0,0,0,0,2.261106859,0,8.139644983,0,0,10.78073106,0,0,0,0,1.485183768,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.485183768,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.377558067,0,0.217145205,0,0,0.377558067,0,0,0,0,0,0,0,0,2.261106859,0,1.254518141,0,0,2.083911643,0,0,0,0,1.485183768,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.222044359,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.416394729,0,0.359305556,0,0,0.416394729,0,0,0,0,0,0,0,0,2.261106859,0,1.406084892,0,0,2.222044359,0,0,0,0,1.485183768,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.66666667,1.743589744,0.416394729,2.261106859,0.118144487,1.254518141,8.420582384,0.245481859,0.261106859,2.083675831,0.245481859,0.261106859,2.083675831,6.5,0.5,0,0,0.45758,0.7,0.43333,0.43333,0.7,0.02424,0.02424,0,0,0.71429,0,0,0.07692,0.07692,0,12.5,0.96154,6.5,0.5,6,0.46154,-0.5,-0.03846,0,0,10.5605,0.81235,15.5724,5.0119,0.38553,4.44966,0.34228,6.43185,1.98218,0.15248,-0.01785,-0.00137,0.06815,0.00524,0.181818182,13,0,0,0,0,0,0,0.538461538,0.967294779,2.213112896,3.132467334,3.922589574,4.124256908,4.024652166,31.92072771,73.03272558,103.371422,129.4454559,136.100478,132.8135215,0.191756385,0.438727198,0.620979896,0.77761362,0.817592125,0.797846495,4.07709934,2.831281223,1.911926786,1.121804546,0.920137211,1.019741953,0.18710035,0.428074468,0.605901891,0.758732394,0.797740181,0.778473994,6.794523439,16.33966746,21.16660794,24.46439051,23.74999331,24.56725175,50.05321735,37.31935894,27.5647458,20.66811556,21.40199927,20.36861168,11.07692308,7.408163265,5.333333333,7,6,7,2.89,1.7027,0,2.254391182,0.142857143,0,17.39806907,4.825338664,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,6.414,14,15,16,17,12,11,10,8,6,135,2.833213344,3.157000421,3.518980417,3.904494739,4.303220142,3.750973584,3.727198318,3.702843994,3.626006212,3.49839971,5.984251093,2.934259259,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0.461538462,7,0.538461538,1,5,10,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.060408163,0.043402778,0.032753842,0.025625,0.012345679,0.076923077,0.031746032,0.015625,0.016790123,0.011284722,0.008629738,0.007233796,0.006550768,0.008541667,0.012345679,0.195670602,50.10504864,79.28487163,100.2100973,7.708469022,50.10504864,0.18016176,0.013858597,-2.228070212,79.73543388,6.133494914,5.692328301,0,202.238424,4.700439718,4.007333185,4.727387819,5.468060141,6.208590026,6.961296046,7.711101252,8.470311206,9.225327502,9.988609646,88.76801682,3.295836866,0,4.418840608,0,5.733341277,0,7.138073034,0,8.589885877,8.862766742,176.1565006,5.338075777,25.7080106,1.977539277,0,0,0,314,12,5.783,54,1.240100113,2.164244089,2.922710044,3.707073574,4.846892534,5.828091927,7.01256593,8.091942003,9.206098797,10.22004761,89.99631242,97.72806707,91.27936032,105.3490975,131.0707844,159.3540273,188.5735406,219.4711554,216.348866,131.4925696,317.4784386,399.6605821,407.6927743,495.6155274,615.8675033,749.9154438,890.9617046,1034.524907,1138.923852,911.839188,9.066509146,15.53380928,20.61477402,26.13186095,34.04106703,40.97118781,49.26287937,56.86434822,64.83820314,71.0106691,2.331457742,3.172372461,3.430191426,4.244852057,5.314017845,6.460318019,7.696866562,8.924077815,10.09485673,8.926799724,174.9493879,325.2279659,466.2415212,591.971373,783.7952095,939.40928,1132.992354,1305.958648,1471.991557,1706.282777,2.839841607,4.194290324,4.885599148,6.037966742,7.718723657,9.518128899,11.6755911,13.99654647,16.84240915,16.3140465,0.480601768,0.663762937,0.726347263,0.901331103,1.130502523,1.37374669,1.637624286,1.898184242,2.154481787,1.93782064,392.8212111,277.4483441,14.57072203,84.37673187,-59.59501135,-4.99275749,308.4444792,337.0433555,19.56347952,0.823182951,0.581411442,0.030533916,0.176817049,-0.124885306,-0.010462655,187.4534739,132.3977791,6.953118582,40.26440288,-28.43861683,-2.382533604,0.087822555,0.092420472,2.139039108,0.819632781,477.197943,0,1,0,913.1289313,30.21802329,9.701614962,1107.931214,33.28560071,10.34755157,1559.254145,39.48739222,11.59593135,2.907956139,2.907956139,2470.640603,2422.857757,160.499545,1.019721688,15.39344303,15.09572975,5.932973987,6.901696073,12.71198248,0.841863558,5.986422363,7.563943357,4.962717374,31.72245924,11.60043944,4.386250255,6.678255759,11.45201483,17.38697082,3.092841403,4.519611882,12.58225734,6.315385639,8.578768405,4.493432878,3.947500704,5.749692408,6.933116421,3.584292302,0.821752088,2.205527086,2.793890806,1.009682832,0.026957072,4.63E-04,1.78E-27,1.34E-72,1.97E-139,5.70E-228,0,0.502508554,7.56362938,0.387648749,8.181058551,1.01665661,1.167428119,0.809866181,1.626874074,4.693813898,0.473324857,1.29574928,1.462791861,1.208717219,2.038372364,1.211350225,0.41850522,1.326739338,1.231881346,0.055727174,0.224251826,0.286934896,0.146823221,0.013747466,1.90E-04,3.26E-06,1.25E-29,9.42E-75,1.39E-141,4.02E-230,0,1.621892276,7.563651028,1.269738241,9.932332714,1.818452821,1.575898176,1.946876143,2.949724893,6.530240521,0.822623534,1.790078353,3.185288262,1.794020534,3.146370852,1.660728638,1.039192081,2.010703847,2.122723398,0.338118423,0.292361966,0.608618622,0.531714193,0.091154657,0.001979996,3.40E-05,1.30E-28,9.81E-74,1.45E-140,4.18E-229,0,5.650701089,7.563909121,4.664317061,29.20085776,10.47188741,4.101263918,6.297469215,10.60902077,16.34298161,2.866887923,4.264327069,11.70794206,5.841060504,8.098052308,4.214477671,3.696203013,5.401498916,6.487547359,3.213374253,0.766122355,2.06332914,2.576852548,0.904178634,0.024018668,4.13E-04,1.58E-27,1.19E-72,1.76E-139,5.08E-228,0,2.390314108,7.56367849,1.890639444,12.04133154,2.772251161,1.930102722,2.745466489,4.060519326,8.014921634,1.117455371,2.178034596,4.530210045,2.331528408,3.974388702,2.034703034,1.494864187,2.545206474,2.815288666,0.661982084,0.355107335,0.850211596,0.842080744,0.181669965,0.00429938,7.38E-05,2.83E-28,2.13E-73,3.15E-140,9.09E-229,0,7.229447131,7.564087165,6.08835801,42.28554327,16.32466801,5.541266969,8.112580293,14.84745433,21.55546421,4.003916313,5.530583013,16.0392597,8.255194679,10.4498385,5.614873906,4.917972481,7.126804728,8.692476041,5.133514273,1.049355155,2.760116017,3.659919028,1.450882117,0.039312453,6.75E-04,2.59E-27,1.95E-72,2.88E-139,8.31E-228,0,3.387926818,6.343192292,2.797186302,15.00139418,4.521574285,2.604370944,3.765233657,5.776379033,9.414400769,1.523534395,2.721182955,6.404655312,3.163089247,5.1371619,2.663243619,2.241236856,3.593061526,4.093530519,1.299353141,0.54356224,1.383414177,1.463005385,0.360514375,0.008869649,1.52E-04,5.84E-28,4.40E-73,6.49E-140,1.88E-228,0,14.48007978,1.123704382,0.705590644,0.88783782,0.068899292,0.560263711,0.375605658,0.378162191,16.3093748,27.28121321,55.07148558,0.831756731,1.31403156,13.92804719,0.591142624,0.31987817,0.938606603,0.039836911,0.518352724,0.105046784,0.077653375,14.83906799,12.87783424,30.35060711,0.907909904,0.701052882,14.1299153,0.785822197,0.461056755,0.918911645,0.051104423,0.533488152,0.184666096,0.161396547,15.37679426,17.98060262,38.47678716,0.878367467,0.879550794,14.46451602,1.108684401,0.694728566,0.889143051,0.068151539,0.559059564,0.365697877,0.36660392,16.26792899,26.85573048,54.26473198,0.833714577,1.291361361,14.22685277,0.879344738,0.528788432,0.909937036,0.056242119,0.540834311,0.230820601,0.212332118,15.63498594,20.49829061,42.74858277,0.864905555,0.98398703,14.52952542,1.171422948,0.740095879,0.88373495,0.071249912,0.564097934,0.407958211,0.416068929,16.44104424,28.64042668,57.67806524,0.825602425,1.388125074,14.52050678,1.112032179,0.694945548,0.88932908,0.068107992,0.563371047,0.367748964,0.366654777,16.3274845,27.01103414,54.5599926,0.83399362,1.297774788 +UMLYSI0105,L,n-octylbenzene,CCCCCCCCC1=CC=CC=C1,aromatic,C14H22,2189-60-8,16607,PubChem,,257.1,0,-0.4065,0.16524225,57.9694,39.309446,6,6,36,14,22,0,14,0,0,0,0,0,0,0,0,0,2042.051102,2286.05363,2670.513063,2430.584533,1961.470906,1742.532129,1545.7754,1349.018671,1152.261942,6613.079002,8453.442185,11367.79224,11496.24154,9881.480983,8707.376894,7700.578549,6693.780204,5686.981859,253.373432,262.155128,472.115292,632.51266,588.538216,524.85498,461.97008,399.08518,336.20028,48.82608391,63.54257482,91.93494576,99.25494409,87.54761116,77.1882195,68.16669064,59.14516178,50.12363292,5843.30933,5143.817035,10029.11632,14519.79635,13680.04564,12264.68069,10785.72554,9306.770382,7827.815227,64.52777778,78.66666667,122.5833333,144,128.75,114.3333333,102.0833333,89.83333333,77.66666667,56.72364172,63.50148972,40.46231914,27.00649481,23.35084412,23.23376172,23.42083939,23.66699423,24.00545712,183.6966389,234.8178385,172.2392764,127.7360171,117.6366784,116.0983586,116.6754326,117.4347404,118.4787887,7.038150889,7.282086889,7.153262,7.027918444,7.006407333,6.9980664,6.999546667,7.001494386,7.0041725,1.356280109,1.765071523,1.392953724,1.102832712,1.042233466,1.02917626,1.032828646,1.037634417,1.044242352,162.314148,142.8838065,151.9563078,161.3310706,162.8576862,163.5290759,163.4200839,163.2766734,163.0794839,1.792438272,2.185185185,1.857323232,1.6,1.532738095,1.524444444,1.546717172,1.576023392,1.618055556,0.0734318,-0.001062082,-0.030097415,-0.011845642,-0.004272802,0.00676826,7.87E-04,-1.10E-05,0.001934737,1035.786966,-1.34E-12,-318.3587644,-26.90355756,-76.22674641,14.57276034,11.20981565,7.846870954,4.483926259,1926.090093,-1.42E-14,-592.0017168,-50.0283141,-141.7468899,27.09867014,20.84513087,14.59159161,8.33805235,0.202903556,2.18E-15,-0.062364296,-0.005270222,-0.014932296,0.002854704,0.002195926,0.001537148,8.78E-04,8.610518881,2.01E-14,-2.646523119,-0.223649841,-0.63367455,0.121143664,0.093187434,0.065231204,0.037274974,46.77247522,-4.39E-13,-14.37595559,-1.214869486,-3.442130211,0.658054305,0.506195619,0.354336934,0.202478248,5.323302469,0.653549383,0.077803498,0.263503086,-0.701903292,-0.210583848,-0.331147119,-0.451710391,-0.488940329,0.002039772,-2.95E-05,-4.56E-04,-1.32E-04,-5.09E-05,9.02E-05,1.19E-05,-1.92E-07,4.03E-05,28.77186016,-3.71E-14,-4.823617643,-0.298928417,-0.907461267,0.194303471,0.169845692,0.137664403,0.09341513,53.50250258,-3.95E-16,-8.969722982,-0.555870157,-1.687462976,0.361315602,0.315835316,0.255992835,0.173709424,0.00563621,6.06E-17,-9.45E-04,-5.86E-05,-1.78E-04,3.81E-05,3.33E-05,2.70E-05,1.83E-05,0.23918108,5.58E-16,-0.040098835,-0.002484998,-0.007543745,0.001615249,0.001411931,0.001144407,7.77E-04,1.299235423,-1.22E-14,-0.217817509,-0.01349855,-0.040977741,0.008774057,0.007669631,0.006216437,0.004218297,0.147869513,0.01815415,0.001178841,0.002927812,-0.008355992,-0.002807785,-0.005017381,-0.007924744,-0.010186257,-0.014463517,-0.223564886,-0.064525953,-0.024937438,0.044241935,0.005843949,-9.43E-05,0.019760547,-1.29E-15,-0.167650531,-0.01038961,-0.031539889,0.006753247,0.005903188,0.004784689,0.003246753,-7.38E-18,-0.167650531,-0.01038961,-0.031539889,0.006753247,0.005903188,0.004784689,0.003246753,1.07E-14,-0.167650531,-0.01038961,-0.031539889,0.006753247,0.005903188,0.004784689,0.003246753,2.33E-15,-0.167650531,-0.01038961,-0.031539889,0.006753247,0.005903188,0.004784689,0.003246753,-9.39E-15,-0.167650531,-0.01038961,-0.031539889,0.006753247,0.005903188,0.004784689,0.003246753,0.122771416,0.00797217,0.019799971,-0.056509225,-0.018988259,-0.033931136,-0.053592817,-0.068886795,1.204584482,1.229339208,0.956860029,0.916307342,0.832886827,0.881810612,0.921450316,0.953885699,1.25,1.270661157,0.977272727,0.974025974,0.927272727,0.929752066,0.933014354,0.9375,1.25,1.270661157,0.977272727,0.974025974,0.927272727,0.929752066,0.933014354,0.9375,1.25,1.270661157,0.977272727,0.974025974,0.927272727,0.929752066,0.933014354,0.9375,1.25,1.270661157,0.977272727,0.974025974,0.927272727,0.929752066,0.933014354,0.9375,1.25,1.270661157,0.977272727,0.974025974,0.927272727,0.929752066,0.933014354,0.9375,1.095810987,0.972670611,0.855341354,0.884910857,0.851079867,0.917326622,1.004493405,1.112933034,108.5977888,54.2988944,87.85978701,108.5977888,7.756984915,54.2988944,0,0.290858007,0.020775572,-1.728888112,83.88384585,5.991703275,6.201206276,108.5977888,54.2988944,87.85978701,108.5977888,7.756984915,54.2988944,0,0.290858007,0.020775572,-1.728888112,83.88384585,5.991703275,6.201206276,108.5977888,54.2988944,87.85978701,108.5977888,7.756984915,54.2988944,0,0.290858007,0.020775572,-1.728888112,83.88384585,5.991703275,6.201206276,108.5977888,54.2988944,87.85978701,108.5977888,7.756984915,54.2988944,0,0.290858007,0.020775572,-1.728888112,83.88384585,5.991703275,6.201206276,108.5977888,54.2988944,87.85978701,108.5977888,7.756984915,54.2988944,0,0.290858007,0.020775572,-1.728888112,83.88384585,5.991703275,6.201206276,108.5977888,54.2988944,87.85978701,108.5977888,7.756984915,54.2988944,0,0.290858007,0.020775572,-1.728888112,83.88384585,5.991703275,6.201206276,131.9599461,65.47586029,108.2019293,131.8057511,9.414696506,65.47586029,-0.26984127,0.374946707,0.026781908,-1.373359927,82.36949264,5.883535189,6.175701187,0,11.85,12.15017245,-0.210044169,0.090152268,5.132003164,8.748561239,14,36,33,30,8,3,0,0,0,6,24.050554,3.785280275,3.475944488,3.232460862,2.915754778,2.619181914,2.589485495,2.235906752,1.852338569,1.995716345,1.88964734,1.713358887,1.47363728,1.211516471,1.082250302,0.9815572,0.816304055,3.797658739,3.504660234,3.265054262,2.951579564,2.645815032,2.628750807,2.290390404,1.927726321,1.959857442,1.831401337,1.644348021,1.391780427,1.117790118,1.007167592,0.87893316,0.697710329,3.854347092,3.629848063,3.408897794,3.114856158,2.807053138,2.771820215,2.522662639,2.244709087,1.866193972,1.654597956,1.437592048,1.14818157,0.843758511,0.798620231,0.567340965,0.304354471,3.806886108,3.525761545,3.289115687,2.978344792,2.665925019,2.657968374,2.330210692,1.982656362,1.938258146,1.793716825,1.600003423,1.33924139,1.057938722,0.960278991,0.812966838,0.618466061,3.88361912,3.690062575,3.478820108,3.196356609,2.897161013,2.838078588,2.630700848,2.38784175,1.839588647,1.598310808,1.372439373,1.072812245,0.760980435,0.738564276,0.46512678,0.167123755,3.912609027,3.4749743,3.278101072,3.002310646,2.828057599,2.708180197,2.379759825,2.033205908,1.895118857,1.782465294,1.574851522,1.29385829,0.990751066,0.794190641,0.72258938,0.515552748,0,0,0,5,1,1,7,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.612372436,0.649519053,0.219416097,0.27300174,0.255985446,10.06263164,6.931851653,5.060477932,3.690670698,2.689157589,1.957707785,1.007244968,0.649729747,0.718759403,0.495132261,0.337365195,0.230666919,0.158185741,0.108761544,0.077480382,0.054144146,9.336498814,5.971343774,4.003365513,2.661829883,1.754131469,1.144596295,0.630241612,0.383148118,0.666892772,0.426524555,0.266891034,0.166364368,0.103184204,0.063588683,0.048480124,0.03192901,19.96010584,34.76620539,32.98039216,33.36,22.7840994,273.5388898,0.554447384,0.965727927,0.916122004,0.926666667,0.63289165,7.598302495,4.5896,63.522,78.75992345,119.9454339,157.5198469,11.25141764,78.75992345,0.173958922,0.012425637,-2.448510526,115.6939955,8.263856821,6.65132823,239,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,8,0,0,5,0,0,0,0,0,0,0,0,1,0,7,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.29609001,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.966314211,0,2.018627722,0,0,1.966314211,0,0,0,0,0,0,0,0,2.267826252,0,9.602750406,0,0,10.80720897,0,0,0,0,1.488881042,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.488881042,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375058067,0,0.213954762,0,0,0.375058067,0,0,0,0,0,0,0,0,2.267826252,0,1.256909722,0,0,2.088043875,0,0,0,0,1.488881042,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.228217199,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.414658618,0,0.359305556,0,0,0.414658618,0,0,0,0,0,0,0,0,2.267826252,0,1.421914368,0,0,2.228217199,0,0,0,0,1.488881042,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,24.16666667,1.726190476,0.414658618,2.267826252,0.115058067,1.256909722,9.137358326,0.243090278,0.267826252,2.150070438,0.243090278,0.267826252,2.150070438,7,0.5,0,0,0.45556,0.7,0.43333,0.43333,0.7,0.02222,0.02222,0,0,0.71429,0,0,0.07143,0.07143,0,13,0.92857,7,0.5,6,0.42857,-1,-0.07143,0,0,12.05901,0.86136,17.19076,5.13174,0.36655,4.94966,0.35355,6.93185,1.98218,0.14158,-0.01785,-0.00127,0.06815,0.00487,0.166666667,14,0,0,0,0,0,0,0.571428571,0.964078765,2.163927105,3.054953738,3.850209029,4.159799224,4.103081336,34.70683553,77.9013758,109.9783346,138.607525,149.7527721,147.7109281,0.186478288,0.418560638,0.590908715,0.744732086,0.804615004,0.793644267,4.205846237,3.005997896,2.114971264,1.319715972,1.010125777,1.066843665,0.182404049,0.409415786,0.577998346,0.728460933,0.787035509,0.776304464,6.796248325,16.00032442,20.673686,24.14836573,24.22988249,24.17272078,54.06281141,40.62893259,30.59598918,22.73650904,22.04636452,22.33877872,12.07142857,8.32,6.1875,8,6,8,3,1.8436,0,2.281159011,0.125,0,19.42072037,4.79417185,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,6.913,15,16,17,18,13,12,11,10,8,148,2.890371758,3.198673118,3.548179572,3.924445525,4.316654433,3.774196689,3.750973584,3.727198318,3.702843994,3.626006212,6.024959766,2.788006757,0.454545455,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0.5,8,0.571428571,1,6,11,0.833333333,1,0.444444444,0.1875,0.151111111,0.090277778,0.060408163,0.043402778,0.032753842,0.025625,0.020610142,0.071428571,0.02962963,0.014423077,0.015111111,0.010030864,0.00755102,0.006200397,0.005458974,0.005125,0.006870047,0.181828692,59.10739415,93.88824729,118.2147883,8.44391345,59.10739415,0.176007175,0.012571941,-2.432122728,99.51819463,7.108442474,6.440476683,0,219.5344087,4.807354922,4.077537444,4.795790546,5.533389489,6.270988432,7.020190708,7.766840537,8.522578664,9.274722631,10.03482279,91.29686124,3.36729583,0,4.48863637,0,5.796057751,0,7.192182059,0,8.635687085,8.911260255,190.1721507,5.282559742,27.7082581,1.979161293,0,0,0,399,13,6.352,58,1.240897326,2.1639434,2.918215483,3.698338207,4.860656725,5.849441602,7.058832647,8.153080947,9.31516736,10.39878019,89.34841512,95.89667013,89.88734807,105.1201886,130.9558444,158.9927439,187.8292497,217.768127,249.1533922,242.2026478,316.0335673,395.199562,402.7112199,494.279058,616.0677003,750.1629895,890.6575254,1032.762727,1180.19468,1279.752464,9.070079348,15.52483775,20.57005919,26.06899906,34.13359218,41.11641471,49.57185955,57.27236726,65.4330487,73.22091616,2.324009717,3.147439417,3.395962758,4.233138467,5.31917651,6.469335879,7.708380749,8.933107979,10.20545625,11.36009084,175.2024555,325.625998,466.5067106,590.6821358,786.3284312,943.1882073,1141.650945,1317.379444,1505.378144,1663.967285,2.791125639,4.122156966,4.798597945,5.951850998,7.628447183,9.373518837,11.42954628,13.56439726,16.04154326,18.96586346,0.479188496,0.658931833,0.719438004,0.898845136,1.13173823,1.375914798,1.640634933,1.9010211,2.171714704,2.425152948,423.8584448,321.8584586,15.39402388,85.88626714,-65.21805073,-5.082315536,337.9721777,387.0765094,20.47633941,0.831511215,0.631411079,0.030199477,0.168488785,-0.127942574,-0.009970315,216.0596009,164.0656473,7.847022268,43.7800705,-33.24455648,-2.590683469,0.081686293,0.085962949,1.989582008,0.824542737,509.744712,0,1,0,975.2105004,31.22836051,9.916675974,1189.386856,34.48748839,10.59516469,1675.496558,40.93282983,11.87721213,3.080745142,3.080745142,3231.333107,3186.656112,178.9789267,1.014020024,18.05426575,17.80464422,6.365017141,7.449430423,13.84370381,0.858357354,6.54422347,8.512460665,5.25904988,36.69533701,13.57528909,4.386265895,7.472568833,11.5900423,21.75136936,3.123653154,4.52001796,17.13148354,6.433088442,14.62079613,4.603121407,3.602196297,6.407129055,9.293299219,4.279830235,5.370750038,4.172484178,6.124640176,1.86642632,1.860665524,0.450893553,0.519757337,0.167263745,3.38E-19,1.34E-58,1.04E-119,0.549320936,8.512104583,0.409765681,9.19445115,1.030722954,1.167443632,0.932425248,1.627846568,5.772766052,0.473541894,1.296155356,1.77515508,1.20954621,3.188550582,1.21212277,0.403688238,1.372642378,1.257784836,0.689525774,0.507512891,0.451354125,0.943323358,0.474069505,0.104800473,0.028514039,0.003665816,0.001178052,2.38E-21,9.45E-61,7.32E-122,1.77300835,8.512129123,1.342947898,11.21353767,1.963799789,1.575913697,2.206539363,2.959856242,8.024848032,0.824885013,1.79048443,4.226843938,1.802659254,5.039266509,1.668779156,0.978717201,2.162024851,2.319790918,1.052587485,1.248592345,1.103469718,1.648749626,0.748091531,0.371717898,0.098192181,0.038160408,0.012276213,2.48E-20,9.84E-60,7.63E-121,6.177219833,8.512421834,4.94213572,33.74016201,12.23155122,4.101279544,7.050652627,10.732001,20.41604602,2.894340658,4.264733146,15.94980504,5.945931583,13.75010622,4.312208175,3.378843504,6.014631623,8.596817928,3.929212804,4.984014533,3.906668292,5.682850179,1.777583168,1.720805862,0.419185001,0.463097957,0.149028986,3.02E-19,1.20E-58,9.26E-120,2.613031397,8.512160264,2.000371782,13.66683811,3.087577077,1.930118254,3.099251914,4.082525095,9.870570664,1.122367537,2.178440672,6.112608282,2.350292863,6.45309287,2.052189834,1.396573236,2.774656563,3.220508421,1.411618046,1.832028651,1.583029685,2.237575429,0.939223996,0.582114231,0.15093467,0.082876901,0.026665574,5.40E-20,2.14E-59,1.66E-120,7.90307275,8.512623776,6.455199346,49.08081537,19.2042875,5.541282669,9.059184084,15.04875326,27.10095889,4.048852268,5.530989091,21.7809975,8.426853155,18.0385177,5.774844316,4.460443507,7.95607508,12.10431036,5.726546833,6.90372354,5.199839363,7.901856236,2.199464666,2.415253042,0.574939174,0.758000521,0.243938453,4.94E-19,1.96E-58,1.52E-119,3.737366229,7.18791885,2.997026361,17.39104832,5.276288612,2.657149206,4.256720012,5.93973566,11.723679,1.564742842,2.776622789,8.659494329,3.266676921,8.203937382,2.754014452,2.10169406,4.007953283,4.715526821,2.222445879,2.908158836,2.558933342,3.552514869,1.450038552,1.023836199,0.261928397,0.17445317,0.056133793,1.14E-19,4.50E-59,3.49E-120,17.25315233,1.114569456,0.766062365,0.901711454,0.058251387,0.566799542,0.392162124,0.411435994,19.13378416,33.30065701,67.16569528,0.852567181,1.37039766,16.95378492,0.587963492,0.353044293,0.947414435,0.032856681,0.547159018,0.112794486,0.087822102,17.89479271,16.16122076,37.57523192,0.921121652,0.747775607,17.06364273,0.781897581,0.505390484,0.92985162,0.042608061,0.55430389,0.196677871,0.179555173,18.3509308,22.36098724,47.45484848,0.89477743,0.930536934,17.24475724,1.099886141,0.754568547,0.902904125,0.057588038,0.566241355,0.382186623,0.399221828,19.09921193,32.80956039,66.22087729,0.854356188,1.347649806,17.11623824,0.874474217,0.577995968,0.92177861,0.047093971,0.557750042,0.244603134,0.234646639,18.56870842,25.36626829,52.58625218,0.882667915,1.036999815,17.27980615,1.161153876,0.802522445,0.897956291,0.060340111,0.56857463,0.424620338,0.451393679,19.24348247,34.86379821,70.20950342,0.846934437,1.444588647,17.31271587,1.103273472,0.755869001,0.903027529,0.057546507,0.570705456,0.384140761,0.400366821,19.17185834,33.02073563,66.63019089,0.854541294,1.355213038 +UMLYSI0106,L,1-ethyl-4-methylbenzene,CCC1=CC=C(C=C1)C,aromatic,C9H12,622-96-8,12160,PubChem,,257.1,0,1.9611,3.84591321,44.3682,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1811.945363,1609.182801,904.03354,464.209538,247.217209,78.738912,9.144576,4184.657049,5188.491512,6941.531225,6928.73748,5050.224566,2898.117216,1527.912299,874.9221648,279.7536999,148.486212,153.276228,258.0923,299.553156,295.842064,228.5426,104.792356,83.016576,60.466176,30.43545486,38.46263172,53.83398791,56.49561099,45.44310692,28.05690832,14.36493191,9.348943289,4.001516144,3360.161029,2978.619777,5445.36734,6448.554114,6707.375489,5572.699569,2461.28065,2028.241198,1664.258868,43.80555556,53.16666667,77.16666667,87.44444444,76.83333333,48.66666667,23.5,18,9,62.40808843,68.74581643,50.33181564,38.31387621,21.5246081,14.0669557,16.48114727,6.561576,1.016064,199.2693833,247.0710244,192.8203118,164.96994,120.243442,87.82173382,101.86082,72.9101804,31.08374443,7.070772,7.298868,7.169230556,7.132218,7.043858667,6.925533333,6.986157067,6.918048,6.718464,1.449307374,1.831553891,1.495388553,1.345133595,1.081978736,0.850209343,0.957662127,0.779078607,0.444612905,160.0076681,141.839037,151.2602039,153.5370027,159.6994164,168.8696839,164.0853767,169.0200999,184.917652,2.085978836,2.531746032,2.143518519,2.082010582,1.829365079,1.474747475,1.566666667,1.5,1,0.045997755,-3.65E-04,-0.005432588,-0.01907959,-0.019622593,0.015820017,0.002569065,-0.002704489,0.005816732,622.6251891,3.91E-13,56.82690218,-207.5417297,-345.9028829,93.88792535,-64.23910682,-44.4732278,200.1295251,1157.798126,-5.68E-14,105.6720512,-385.9327088,-643.2211813,174.5886063,-119.4553622,-82.69986616,372.1493977,0.121968,1.87E-15,0.011132,-0.040656,-0.06776,0.018392,-0.012584,-0.008712,0.039204,5.175896322,1.00E-14,0.472403236,-1.725298774,-2.875497957,0.780492303,-0.534021049,-0.36970688,1.663680961,28.11555097,4.49E-14,2.566101874,-9.371850323,-15.61975054,4.239646575,-2.900810814,-2.008253641,9.037141383,4.216931217,-0.60978836,1.095049131,-0.886243386,-3.03042328,0.349584278,0.289493575,-0.56840514,1.252267574,0.002190369,-1.74E-05,-1.51E-04,-4.54E-04,-4.67E-04,4.79E-04,1.71E-04,-2.25E-04,6.46E-04,29.64881853,1.86E-14,1.578525061,-4.941469755,-8.235782925,2.845088647,-4.282607121,-3.706102316,22.2366139,55.13324411,-2.71E-15,2.935334756,-9.188874018,-15.31479003,5.290563829,-7.963690816,-6.891655513,41.34993308,0.005808,8.91E-17,3.09E-04,-9.68E-04,-0.001613333,5.57E-04,-8.39E-04,-7.26E-04,0.004356,0.246471253,4.78E-16,0.013122312,-0.041078542,-0.068464237,0.023651282,-0.035601403,-0.030808907,0.18485344,1.33883576,2.14E-15,0.071280608,-0.223139293,-0.371898822,0.128474139,-0.193387388,-0.16735447,1.00412682,0.200806248,-0.029037541,0.030418031,-0.021101033,-0.072152935,0.010593463,0.019299572,-0.047367095,0.139140842,-0.007944536,-0.068894872,-0.207396973,-0.21329947,0.218864668,0.078192755,-0.10289318,0.295066007,6.28E-16,0.053240741,-0.166666667,-0.277777778,0.095959596,-0.144444444,-0.125,0.75,-4.91E-17,0.053240741,-0.166666667,-0.277777778,0.095959596,-0.144444444,-0.125,0.75,1.53E-14,0.053240741,-0.166666667,-0.277777778,0.095959596,-0.144444444,-0.125,0.75,1.94E-15,0.053240741,-0.166666667,-0.277777778,0.095959596,-0.144444444,-0.125,0.75,1.60E-15,0.053240741,-0.166666667,-0.277777778,0.095959596,-0.144444444,-0.125,0.75,-0.144604768,0.151479506,-0.105081556,-0.359316186,0.052754648,0.096110414,-0.235884567,0.692910916,1.060816136,1.006431046,1.240481104,1.316051044,0.79733817,0.666338393,0.647561309,0.004335783,1.111111111,0.972222222,1.157407407,1.203703704,0.765993266,1.037037037,0.972222222,0,1.111111111,0.972222222,1.157407407,1.203703704,0.765993266,1.037037037,0.972222222,0,1.111111111,0.972222222,1.157407407,1.203703704,0.765993266,1.037037037,0.972222222,0,1.111111111,0.972222222,1.157407407,1.203703704,0.765993266,1.037037037,0.972222222,0,1.111111111,0.972222222,1.157407407,1.203703704,0.765993266,1.037037037,0.972222222,0,1.279799247,0.777655793,1.135508156,1.391154329,0.760522414,0.645545797,1.185696361,0,32.79798255,16.39899128,24.48303964,32.79798255,3.644220284,16.39899161,-1.42E-14,0.170774182,0.018974909,-1.590671852,89.17213872,9.908015413,4.04151178,32.79798255,16.39899128,24.48303964,32.79798255,3.644220284,16.39899161,-1.42E-14,0.170774182,0.018974909,-1.590671852,89.17213872,9.908015413,4.04151178,32.79798255,16.39899128,24.48303964,32.79798255,3.644220284,16.39899161,-1.42E-14,0.170774182,0.018974909,-1.590671852,89.17213872,9.908015413,4.04151178,32.79798255,16.39899128,24.48303964,32.79798255,3.644220284,16.39899161,-1.42E-14,0.170774182,0.018974909,-1.590671852,89.17213872,9.908015413,4.04151178,32.79798255,16.39899128,24.48303964,32.79798255,3.644220284,16.39899161,-1.42E-14,0.170774182,0.018974909,-1.590671852,89.17213872,9.908015413,4.04151178,32.79798255,16.39899128,24.48303964,32.79798255,3.644220284,16.39899161,-1.42E-14,0.170774182,0.018974909,-1.590671852,89.17213872,9.908015413,4.04151178,36.62820657,18.1980539,27.42615969,36.57127928,4.063475475,18.19805396,-0.102469136,0.307015841,0.034112871,-1.062770339,60.28583722,6.698426357,3.689187484,0,11.85,12.15009716,-0.208457005,0.091647312,5.486884731,8.286821152,9,21,18,15,3,3,0,0,0,6,13.118484,3.809998702,3.151679818,2.669377422,2.619181914,2.06444048,1.54607677,0.941428501,0.355212062,1.998667264,1.636861694,1.336988313,1.082250302,0.890153661,0.592374288,0.310513972,0.083923071,3.821098891,3.18110915,2.715423699,2.645815032,2.124695427,1.634964439,1.053336623,0.47280926,1.966982952,1.562521936,1.24391233,1.007167592,0.776324046,0.470479515,0.150156259,0.270913902,3.872109481,3.318459634,2.918132064,2.771820215,2.379982448,1.993402581,1.517793787,0.956901234,1.882794413,1.347129464,0.958357474,0.798620231,0.429255525,0.058210061,0.396843083,0.943918427,3.829383618,3.203263,2.749405894,2.665925019,2.168559058,1.698841878,1.134811365,0.55862046,1.947685651,1.515276368,1.183450565,0.960278991,0.702694033,0.388848806,0.041902902,0.399277246,3.898513937,3.388937547,3.015955316,2.838078588,2.499406736,2.147675529,1.721464227,1.207644823,1.858806684,1.282591409,0.866890681,0.738564276,0.31671372,0.092095034,0.594311107,1.158268529,3.838831345,3.189478797,2.808393933,2.74621998,2.222579587,1.735861929,1.247462449,0.623451771,1.936777483,1.499047181,1.101229856,0.868246924,0.639005395,0.319772401,0.082485288,0.534653465,0,0,0,4,2,2,1,0,0,0,0,0,0.083333333,0.142258898,0,0,0,0.027777778,0.047419633,0.49279928,0,0,0,0.284517797,0,0,0,0.90104757,0.937443702,1.069035594,0.446383983,0.395188456,0.393802676,6.690234444,4.325698503,3.534145948,2.712778743,1.73736354,1.373773448,0.686886724,0.11785113,0.743359383,0.480633167,0.321285995,0.226064895,0.144780295,0.098126675,0.08586084,0.058925565,6.016507858,3.382027377,2.33915195,1.52885073,0.823781258,0.566635354,0.280731778,0.03928371,0.668500873,0.37578082,0.212650177,0.127404228,0.068648438,0.040473954,0.035091472,0.019641855,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,2.27702,39.46,36.40309101,49.22239066,72.80618203,8.089575781,36.40309101,0.096723867,0.010747096,-2.102305585,57.28426909,6.364918788,3.643223445,77,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,4,0,0,0,0,0,0,0,0,2,0,1,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.41231481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.575138889,0,0.645277778,0,0,1.575138889,0,0,0,0,0,0,0,0,4.281851852,0,1.139166667,0,0,8.655092593,0,0,0,0,2.757222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.34,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.390972222,0,0.285972222,0,0,0.390972222,0,0,0,0,0,0,0,0,2.110555556,0,1.139166667,0,0,2.15162037,0,0,0,0,1.34,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.175925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0,0.359305556,0,0,0.396597222,0,0,0,0,0,0,0,0,2.171296296,0,1.139166667,0,0,2.175925926,0,0,0,0,1.417222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.83333333,1.87037037,0.396597222,2.175925926,0.149722222,1.139166667,5.538155463,0.360833333,0.175925926,1.873888889,0.360833333,0.175925926,1.873888889,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.22222,0.22222,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.30874,0.58986,9.88205,4.57331,0.50815,2.3029,0.25588,4.32569,2.02278,0.22475,0.08831,0.00981,0.17431,0.01937,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.392317423,3.082328137,3.368042423,3.3273399,3.232101805,20.68979086,50.23866588,64.72889087,70.72889087,69.8741379,67.8741379,0.224307135,0.544659503,0.701754413,0.766803056,0.757536303,0.735853422,3.407089287,2,1.309989286,1.024275,1.064977523,1.160215618,0.214882485,0.521774698,0.672268996,0.734584508,0.725707113,0.704935276,6.75154531,17.86857762,19.6108615,23.03943292,20.90466429,20.80868095,33.82580122,24.64405706,22.08622535,17.536747,19.9001793,20.12801905,7.111111111,3.239669421,2,2,6,2,2.45,1.1391,0.166666667,3.619399318,1.590541458,0,4.883593419,6.597539554,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,4.395,11,12,12,14,8,2,0,0,0,77,2.564949357,3.068052935,3.504054767,3.899444223,4.385925275,3.876395828,2.784239339,0,0,0,5.579258017,3.426948052,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,3,0.333333333,0,3,6,1,2,0.888888889,0.25,0.342222222,0.118055556,0,0,0,0,0,0.222222222,0.080808081,0.027777778,0.085555556,0.059027778,0,0,0,0,0,0.475391414,20.69044905,31.20338714,41.3808981,4.597877567,20.69044905,0.05682378,0.006313753,-2.581020349,58.78058292,6.53117588,3.66643042,0,133.0544855,4.169925001,3.713572067,4.465908119,5.252273428,6.02827852,6.816735881,7.598399329,8.386400901,9.169830829,9.957265258,79.38866433,2.944438979,0,4.143134726,0,5.556828062,0,7.055312843,0,8.590257762,8.836955157,120.0939004,5.718757161,17.54959443,1.949954937,0,0,0,90,9,3.33,40,1.233966845,2.154997781,3.006507819,3.803357615,4.677762613,5.698942706,6.622885574,7.003494044,0,0,94.26734244,118.9825721,123.2890104,89.80065866,71.52288664,100.5293468,43.76375752,7.115998172,0,0,326.927337,443.7812849,519.1824133,485.0010793,428.4286507,600.808917,485.1927336,217.694819,0,0,9.036759105,15.50650918,21.49592871,26.87322772,32.4410923,39.86557499,45.82849614,47.05272261,0,0,2.379713299,3.389563076,4.185960522,4.299309639,4.088514364,5.586031346,5.178276008,3.113843831,0,0,173.1445827,321.9845161,457.8047579,601.1336056,786.6135783,931.2972722,1118.520145,1295.069675,0,0,3.215734004,4.797634439,6.420202747,7.171621845,7.012487519,9.090083388,9.962025577,7.003494044,0,0,0.489733493,0.704609024,0.878485517,0.916943776,0.885106439,1.202060892,1.137649147,0.71715779,0,0,296.1036161,137.2008957,10.99396077,103.9063444,-48.14545567,-5.320593125,192.1972717,185.3463513,16.31455389,0.740240607,0.342993698,0.027484218,0.259759393,-0.120360642,-0.013301152,118.4443958,54.88172486,4.397693812,41.56357273,-19.25866182,-2.128290246,0.133886452,0.132221195,3.36761499,1.268244373,400.0099605,0,1,0,666.9778556,25.82591442,8.737163679,784.0715378,28.00127743,9.221153035,1117.89636,33.43495716,10.37848226,1.982909949,1.982909949,569.5083595,498.6384272,113.4177856,1.142126897,5.021332029,4.39647472,4.080254558,4.389329297,7.686849735,0.751258385,3.673559607,3.820518392,3.848758485,9.258305979,4.132518983,5.158503539,5.566539024,7.133680978,3.49939436,3.585697631,1.960502612,3.134467293,2.350105866,1.77048424,7.09E-05,2.00E-29,1.30E-75,1.68E-143,4.20E-233,0,0,0,0,0,0,0,0,0,0,0,0.30840601,3.820354267,0.295644964,5.070115366,0.973968008,1.280955538,0.467225662,1.040810252,0.540416533,0.235812194,0.096642002,0.176481569,0.193038827,0.012469665,4.99E-07,1.41E-31,9.17E-78,1.18E-145,2.96E-235,0,0,0,0,0,0,0,0,0,0,0,0.995305602,3.82036561,0.971761574,5.613566045,1.295806752,1.825225253,1.380904297,2.072745936,0.95432264,0.734874251,0.356643229,0.492285686,0.625913296,0.129943526,5.20E-06,1.47E-30,9.55E-77,1.23E-144,3.09E-234,0,0,0,0,0,0,0,0,0,0,0,3.467547315,3.820500505,3.613851918,8.891727854,3.824927377,4.833664406,5.209363591,6.685769971,3.251002312,3.315271882,1.803786311,2.851502387,2.215423669,1.577469582,6.32E-05,1.78E-29,1.16E-75,1.50E-143,3.75E-233,0,0,0,0,0,0,0,0,0,0,0,1.466840637,3.820379977,1.450487967,6.07910335,1.612611343,2.272254232,2.04588433,2.844010131,1.294896186,1.13231219,0.570890748,0.794583673,0.925273843,0.282254703,1.13E-05,3.19E-30,2.07E-76,2.68E-144,6.70E-234,0,0,0,0,0,0,0,0,0,0,0,4.436330396,3.820593517,4.738253975,10.740681,5.401088861,6.46053911,6.940092014,8.87714831,4.495430582,4.661160391,2.589135364,4.297835089,2.851757431,2.58208487,1.03E-04,2.92E-29,1.90E-75,2.45E-143,6.13E-233,0,0,0,0,0,0,0,0,0,0,0,2.020537873,3.329165379,1.894741964,6.685653767,2.186741056,2.987154852,2.937313618,3.761790212,1.749322633,1.619699927,0.760436502,1.235494341,1.327999355,0.506100583,2.03E-05,5.72E-30,3.72E-76,4.80E-144,1.20E-233,0,0,0,0,0,0,0,0,0,0,0,5.90905068,1.394627522,0.442551027,0.762829308,0.180039537,0.574934963,0.424080919,0.332868187,7.74622923,11.473175,22.86643392,0.644243962,1.33188407,3.989303602,0.768419059,0.181819906,0.807626121,0.155564822,0.26206185,0.128904228,0.05637943,4.939542567,3.930505606,9.427409262,0.711439181,0.447345508,4.661011816,0.987509985,0.273065404,0.787122043,0.166764408,0.357732493,0.212758646,0.126965207,5.921587204,6.145211592,13.32366306,0.680683064,0.697456345,5.851192263,1.37575297,0.43469465,0.763699724,0.179563774,0.563731849,0.412688308,0.32117588,7.661639883,11.19130956,22.35215232,0.645549586,1.297596037,4.99559427,1.096648424,0.318506968,0.779252745,0.171063991,0.410929812,0.262328803,0.172634421,6.410749661,7.418832328,15.57449393,0.668879117,0.845893036,6.094414996,1.455097378,0.467720532,0.760164394,0.181496209,0.611569284,0.461624914,0.371732462,8.017232905,12.39902922,24.56399249,0.640246592,1.444926659,5.84974144,1.37730455,0.434234969,0.763546132,0.179774708,0.563433541,0.413615191,0.320447172,7.661280959,11.19511159,22.35496963,0.645319198,1.297495904 +UMLYSI0107,L,n-pentylbenzene,CCCCCC1=CC=CC=C1,aromatic,C11H16,538-68-1,10864,PubChem,,255,0,0.4575,0.20930625,49.2346,30.028688,6,6,27,11,16,0,11,0,0,0,0,0,0,0,0,0,1603.162355,1780.618739,2089.387452,1840.314346,1371.200719,1152.261942,955.505213,648.773499,289.634857,5156.02583,6494.471781,8627.150907,8475.846502,6861.085948,5686.981859,4680.183514,3531.910628,2058.624615,190.4411,196.827788,343.926768,443.85796,399.883516,336.20028,273.31538,210.805932,166.456036,37.79170648,48.49460896,68.87187532,72.19035752,60.48302459,50.12363292,41.10210406,31.74308232,20.37324227,4353.420349,3844.69868,7256.509721,10082.93088,9243.180173,7827.815227,6348.860072,4832.6429,4030.154205,51.77777778,62.91666667,94.83333333,107.25,92,77.66666667,65.5,53.5,37.5,59.37638352,65.94884219,43.52890525,29.21133883,24.05615296,24.00545712,24.50013367,21.6257833,12.06811904,190.9639196,240.5359919,179.7323106,134.5372461,120.3699289,118.4787887,120.0047055,117.7303543,85.77602562,7.053374074,7.289918074,7.165141,7.045364444,7.015500281,7.0041725,7.008086667,7.0268644,6.935668167,1.399692833,1.796096628,1.434830736,1.145878691,1.061105695,1.044242352,1.053900104,1.058102744,0.848885095,161.2377907,142.3962474,151.1772859,160.046522,162.1610557,163.0794839,162.7912839,161.0880967,167.9230919,1.917695473,2.330246914,1.975694444,1.702380952,1.614035088,1.618055556,1.679487179,1.783333333,1.5625,0.060763864,-0.001064271,-0.023784825,-0.011953727,-0.004340014,0.00872249,0.003422451,-0.008222923,-8.90E-04,789.1710216,-9.17E-13,-196.7945414,-38.86069425,-78.71781655,13.94999281,7.971424461,-168.3963417,-37.86426619,1467.497214,3.69E-13,-365.9478531,-72.26312036,-146.3791412,25.94060731,14.82320418,-313.1401882,-70.41021984,0.154593185,1.50E-15,-0.0385507,-0.007612543,-0.01542028,0.002732708,0.001561547,-0.032987687,-0.00741735,6.560395338,1.64E-14,-1.635957171,-0.32304977,-0.654382868,0.115966584,0.06626662,-1.399882339,-0.314766443,35.6361716,-1.86E-13,-8.886545317,-1.75481148,-3.554618127,0.629932326,0.359961329,-7.604183081,-1.709816314,4.66255144,0.389917695,0.040237769,-0.116941015,-0.958390489,-0.39391861,0.135573845,-1.149748514,-0.539551898,0.002250513,-3.94E-05,-4.96E-04,-1.90E-04,-7.61E-05,1.82E-04,8.78E-05,-2.74E-04,-3.71E-05,29.22855636,-3.39E-14,-4.099886279,-0.616836417,-1.381014325,0.29062485,0.204395499,-5.613211391,-1.577677758,54.35174865,1.37E-14,-7.623913607,-1.147033657,-2.56805511,0.540429319,0.380082158,-10.43800627,-2.93375916,0.005725674,5.57E-17,-8.03E-04,-1.21E-04,-2.71E-04,5.69E-05,4.00E-05,-0.00109959,-3.09E-04,0.242977605,6.07E-16,-0.034082441,-0.005127774,-0.011480401,0.002415971,0.001699144,-0.046662745,-0.013115268,1.319858207,-6.88E-15,-0.185136361,-0.02785415,-0.062361722,0.01312359,0.009229778,-0.253472769,-0.071242346,0.17268709,0.014441396,8.38E-04,-0.001856207,-0.016813868,-0.008206638,0.003476252,-0.03832495,-0.022481329,-0.017514869,-0.220179616,-0.0843104,-0.033832541,0.080745366,0.038993394,-0.12179329,-0.016486688,-1.16E-15,-0.140269886,-0.021103896,-0.047248804,0.009943182,0.006993007,-0.192045455,-0.053977273,2.52E-16,-0.140269886,-0.021103896,-0.047248804,0.009943182,0.006993007,-0.192045455,-0.053977273,9.73E-15,-0.140269886,-0.021103896,-0.047248804,0.009943182,0.006993007,-0.192045455,-0.053977273,2.50E-15,-0.140269886,-0.021103896,-0.047248804,0.009943182,0.006993007,-0.192045455,-0.053977273,-5.21E-15,-0.140269886,-0.021103896,-0.047248804,0.009943182,0.006993007,-0.192045455,-0.053977273,0.083627538,0.004854369,-0.01074896,-0.097366098,-0.047523169,0.020130355,-0.221932921,-0.130185349,1.140747488,1.178877028,0.96976739,0.927731944,0.816704294,0.928106274,1.227734979,1.079698648,1.181818182,1.204900568,0.981331169,0.979665072,0.9140625,0.920454545,1.130113636,0.9140625,1.181818182,1.204900568,0.981331169,0.979665072,0.9140625,0.920454545,1.130113636,0.9140625,1.181818182,1.204900568,0.981331169,0.979665072,0.9140625,0.920454545,1.130113636,0.9140625,1.181818182,1.204900568,0.981331169,0.979665072,0.9140625,0.920454545,1.130113636,0.9140625,1.181818182,1.204900568,0.981331169,0.979665072,0.9140625,0.920454545,1.130113636,0.9140625,1.084289497,0.960047992,0.903574581,0.95928369,0.943912732,0.953221536,1.394086496,1.190782215,59.99336577,29.99668289,47.93384902,59.99336577,5.453942343,29.99668289,3.55E-14,0.329569039,0.029960822,-1.220966362,64.17512907,5.834102643,4.577777312,59.99336577,29.99668289,47.93384902,59.99336577,5.453942343,29.99668289,3.55E-14,0.329569039,0.029960822,-1.220966362,64.17512907,5.834102643,4.577777312,59.99336577,29.99668289,47.93384902,59.99336577,5.453942343,29.99668289,3.55E-14,0.329569039,0.029960822,-1.220966362,64.17512907,5.834102643,4.577777312,59.99336577,29.99668289,47.93384902,59.99336577,5.453942343,29.99668289,3.55E-14,0.329569039,0.029960822,-1.220966362,64.17512907,5.834102643,4.577777312,59.99336577,29.99668289,47.93384902,59.99336577,5.453942343,29.99668289,3.55E-14,0.329569039,0.029960822,-1.220966362,64.17512907,5.834102643,4.577777312,59.99336577,29.99668289,47.93384902,59.99336577,5.453942343,29.99668289,3.55E-14,0.329569039,0.029960822,-1.220966362,64.17512907,5.834102643,4.577777312,73.64333945,36.40367326,59.97117654,73.55059382,6.68641762,36.40367326,-0.204040404,0.437369622,0.039760875,-0.909674286,51.04695638,4.640632398,4.326020515,0,11.85,12.15012665,-0.210044168,0.090103887,5.167069235,8.679788829,11,27,24,21,5,3,0,0,0,6,17.491312,3.784950451,3.37705281,2.968138691,2.619181914,2.541369777,2.049918072,1.532949974,1.176699101,1.992907842,1.816898348,1.512368598,1.150336295,1.082250302,0.876097562,0.687833891,0.540021341,3.797292189,3.407348314,3.002860007,2.645815032,2.579659574,2.113647325,1.627406565,1.296157496,1.957995891,1.75462288,1.432184311,1.056798699,1.007167592,0.770529509,0.550479965,0.385155814,3.853733575,3.540006644,3.161598785,2.771820215,2.752675541,2.38163516,2.015427303,1.768239217,1.865505868,1.566310926,1.194083098,0.798620231,0.788259002,0.432191275,0.086954406,0.147460824,3.806488942,3.429648672,3.028828747,2.665925019,2.608091235,2.160063286,1.69569063,1.381307314,1.936796967,1.714423842,1.380752678,0.997543548,0.960278991,0.701213769,0.458051064,0.280407236,3.88280068,3.604030915,3.241086113,2.840120424,2.838078588,2.503130463,2.186427584,1.968657992,1.839054952,1.506517942,1.120654222,0.738564276,0.708036826,0.315972145,0.078257207,0.343315573,3.875694249,3.382428439,3.040308532,2.791401635,2.65423166,2.200572825,1.742056639,1.448338562,1.906860402,1.707349673,1.345183178,0.934761822,0.827285437,0.616042254,0.369182662,0.181755924,0,0,0,5,1,1,4,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.612372436,0.649519053,0.219416097,0.27300174,0.255985446,7.9413113,5.431851653,3.999817761,2.940670698,2.158827503,1.573206584,0.781474414,0.450523785,0.721937391,0.493804696,0.333318147,0.226205438,0.154201964,0.104880439,0.078147441,0.056315473,7.215178471,4.471343774,2.942705341,1.911829883,1.223801383,0.754431252,0.396628759,0.202804581,0.655925316,0.406485798,0.245225445,0.147063837,0.087414385,0.050295417,0.039662876,0.025350573,15.33462243,26.10269483,24.80392157,25.08,17.38843593,204.4541246,0.567948979,0.966766475,0.918663762,0.928888889,0.644016145,7.572374983,3.4193,49.671,51.9574535,77.50879761,103.914907,9.446809727,51.9574535,0.167455243,0.015223204,-1.965743086,60.22890153,5.475354685,4.507967562,135,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,5,0,0,5,0,0,0,0,0,0,0,0,1,0,4,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.17865623,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.006906848,0,1.365940374,0,0,2.006906848,0,0,0,0,0,0,0,0,2.241064815,0,5.246945625,0,0,10.70555437,0,0,0,0,1.473101852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.473101852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384550737,0,0.228047446,0,0,0.384550737,0,0,0,0,0,0,0,0,2.241064815,0,1.244722222,0,0,2.072738804,0,0,0,0,1.473101852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.204027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.420960845,0,0.359305556,0,0,0.420960845,0,0,0,0,0,0,0,0,2.241064815,0,1.356045918,0,0,2.204027778,0,0,0,0,1.473101852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.66666667,1.787878788,0.420960845,2.241064815,0.127152778,1.244722222,6.99274892,0.255277778,0.241064815,1.893238379,0.255277778,0.241064815,1.893238379,5.5,0.5,0,0,0.46296,0.7,0.43333,0.43333,0.7,0.02963,0.02963,0,0,0.71429,0,0,0.09091,0.09091,0,11.5,1.04545,5.5,0.5,6,0.54545,0.5,0.04545,0,0,7.71013,0.70092,12.43916,4.72903,0.42991,3.44966,0.31361,5.43185,1.98218,0.1802,-0.01785,-0.00162,0.06815,0.0062,0.222222222,11,0,0,0,0,0,0,0.454545455,0.975119065,2.309409122,3.250102669,3.884155095,3.954530448,4.134336113,26.32821475,62.3540463,87.75277208,104.8721876,106.7723221,111.6270751,0.20507721,0.485691643,0.683528825,0.816876339,0.831676974,0.869491888,3.779768437,2.44547838,1.504784833,0.870732408,0.800357055,0.620551389,0.198724436,0.470646141,0.662354827,0.79157157,0.805913719,0.842557223,6.784181073,16.95897493,21.81928312,23.57986019,24.46502141,24.64623406,41.99082118,31.0845179,22.77627261,18.96652871,17.85363233,17.21381343,9.090909091,5.625,3.786982249,5,6,5,2.67,1.4209,0,2.186856613,0.2,0,13.41571659,4.797076866,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,5.416,12,13,14,15,10,8,6,4,2,106,2.708050201,3.068052935,3.457892725,3.863357833,4.275797686,3.702843994,3.626006212,3.49839971,3.270044111,2.784239339,5.839187112,3.231132075,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.363636364,5,0.454545455,0,4,8,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.060408163,0.043402778,0.020408163,0,0,0.090909091,0.037037037,0.01875,0.021587302,0.015046296,0.012081633,0.014467593,0.020408163,0,0,0.230287114,34.32060963,53.5859143,68.64121927,6.240110842,34.32060963,0.17694249,0.016085681,-1.905123564,65.6628702,5.969351836,4.602986987,0,167.6464548,4.459431619,3.850147602,4.574710979,5.323009979,6.070737728,6.831953566,7.588323677,8.354909528,9.115040192,9.884151816,83.59298507,3.135494216,0,4.262679877,0,5.59471138,0,7.020190708,0,8.491465043,8.758098072,148.1252005,5.486118537,21.70652558,1.973320508,0,0,0,182,10,4.645,46,1.237974213,2.165070982,2.935551647,3.732819922,4.803879438,5.755821528,6.85015009,7.847245303,9.080821211,10.159981,91.72403858,102.7644087,95.25653819,106.0237765,131.4299719,160.6443036,164.3086487,102.5083112,43.53963766,10.32319094,321.3314287,411.9283872,421.925787,499.5545951,615.2418874,749.2120249,857.6958542,706.7701495,541.0676517,315.8102529,9.056988609,15.55848102,20.74253067,26.31713809,33.75192591,40.47965522,48.27151445,54.54802227,62.24409952,68.25946661,2.351319141,3.240938333,3.527987622,4.279376322,5.297897015,6.430437251,7.57618277,6.901513539,6.106962057,4.517258667,174.2745411,324.1333777,465.4838373,595.7712301,775.8788916,926.6155285,1093.366023,1308.275015,1580.837785,1878.759832,2.969750853,4.392657058,5.134174016,6.291781564,8.011497157,10.03797914,12.60844363,12.59180312,12.17457902,10.159981,0.484370495,0.677048473,0.746088002,0.908658162,1.126640937,1.366528236,1.615959753,1.497474562,1.355577167,1.040382055,333.2686572,200.0221614,12.98841826,83.81065614,-50.30172573,-4.969674478,249.458001,250.3238871,17.95809274,0.799053433,0.479578236,0.031141363,0.200946567,-0.120604701,-0.011915418,138.9994627,83.42510571,5.417200568,34.95569091,-20.97980922,-2.072748419,0.103349798,0.10876044,2.517226456,1.026110747,417.0793133,0,1,0,788.965793,28.0885349,9.240299714,945.0199318,30.74117649,9.813267923,1326.554667,36.42189818,10.98774024,2.445515293,2.445515293,1322.464392,1265.949253,136.9668613,1.044642499,9.655360274,9.242741205,5.095749307,5.645455692,10.31108427,0.826439677,4.87082015,5.666908742,4.370052361,21.77670372,7.65074014,4.386218973,5.089629609,11.17513359,8.595295475,2.956840294,4.666002459,3.271324443,4.43976254,3.341925054,3.652503669,1.401032455,1.704930523,1.016452392,0.436623736,0.052998374,3.98E-21,5.93E-62,1.74E-124,1.01E-208,1.1478544394E-314,0,0,0,0,0,0.408883791,5.666678976,0.343414885,6.154273353,0.988523922,1.167397094,0.564748047,1.624923266,2.535466734,0.472366936,1.297656773,0.857398494,1.190373228,0.186025434,1.088120879,0.193156039,0.097855539,0.008776621,0.003463658,3.73E-04,2.81E-23,4.18E-64,1.23E-126,7.12E-211,8.0844327E-317,0,0,0,0,0,1.319660127,5.666694839,1.123318927,7.369922806,1.527758886,1.575867134,1.427549702,2.929401551,3.536410589,0.812641682,1.804393704,1.140097292,1.64317063,0.625703264,1.394000965,0.437538768,0.344753324,0.078757945,0.033043795,0.003889781,2.92E-22,4.35E-63,1.28E-125,7.42E-210,8.42460216E-316,0,0,0,0,0,4.597663603,5.666883696,4.108679743,20.12224927,6.952559804,4.101232665,4.791102391,10.36232408,8.1408294,2.745713346,4.395828664,3.049242218,4.166379151,3.076374786,3.418546663,1.326319241,1.57784173,0.906754639,0.389291381,0.047220598,3.55E-21,5.29E-62,1.55E-124,9.00E-209,1.02271764E-314,0,0,0,0,0,1.944879529,5.666714944,1.671174768,8.790318397,2.141599329,1.930071658,2.037895638,4.01637606,4.293599377,1.095773588,2.205940211,1.396524879,2.016495413,0.988251136,1.66857764,0.605944346,0.538333202,0.167092083,0.070819575,0.008449124,6.35E-22,9.46E-63,2.78E-125,1.61E-209,1.829936164E-315,0,0,0,0,0,5.882195893,5.667013942,5.354675337,28.69499907,10.56542903,5.54123557,6.21937271,14.44365138,10.37277281,3.805571656,5.738963105,4.177960903,5.536519761,4.407284299,4.606131783,1.678533736,2.208075282,1.477123917,0.635507568,0.077293148,5.81E-21,8.65E-62,2.54E-124,1.47E-208,1.6740378225E-314,0,0,0,0,0,2.69864605,4.697544141,2.393404189,10.37883899,3.064064932,2.47691707,2.806915878,5.407119331,4.966960833,1.406440978,2.639048823,1.761519308,2.570488763,1.50769035,2.400930109,0.916654319,0.880913514,0.324570742,0.138174679,0.016580072,1.25E-21,1.86E-62,5.46E-125,3.16E-209,3.590960887E-315,0,0,0,0,0,9.567097904,1.217144222,0.615098304,0.839267672,0.106773215,0.553951554,0.386756286,0.353549001,11.39934043,18.27790697,36.83978293,0.758901508,1.294256842,8.630593796,0.653019677,0.271621675,0.903231963,0.06834156,0.451053861,0.111542135,0.069216013,9.555235148,8.15757821,19.24365888,0.854847944,0.63181201,8.967111741,0.855742486,0.395153841,0.877579239,0.083748465,0.486808324,0.191362474,0.146332455,10.21800807,11.55507707,24.80531334,0.816368858,0.824503253,9.539980859,1.200811923,0.605164865,0.840826412,0.105836101,0.550823031,0.376458674,0.342272173,11.34595765,17.95567317,36.23423174,0.761239618,1.269553878,9.131114167,0.954536107,0.455309475,0.866250738,0.090554952,0.50472931,0.238019738,0.194142444,10.54095975,13.3080703,27.81749749,0.799376108,0.936891493,9.653530958,1.269200706,0.646756078,0.834395712,0.109702412,0.563982775,0.420505031,0.390692853,11.56948774,19.3166114,38.81032813,0.751593568,1.375180659,9.571385668,1.203880433,0.604553494,0.84108413,0.105790819,0.554440393,0.378345739,0.341539406,11.3798196,18.0370287,36.38299967,0.761626196,1.274325538 +UMLYSI0108,L,n-hexylbenzene,CCCCCCC1=CC=CC=C1,aromatic,C12H18,1077-16-3,14109,PubChem,,246.7,0,0.1695,0.02873025,52.1462,33.122274,6,6,30,12,18,0,12,0,0,0,0,0,0,0,0,0,1749.458604,1949.097036,2283.095989,2037.071075,1567.957448,1349.018671,1152.261942,955.505213,648.773499,5641.710221,7147.461916,9540.698018,9482.644847,7867.884293,6693.780204,5686.981859,4680.183514,3531.910628,211.418544,218.603568,386.656276,506.74286,462.768416,399.08518,336.20028,273.31538,210.805932,41.46983229,53.51059758,76.55956547,81.21188638,69.50455345,59.14516178,50.12363292,41.10210406,31.74308232,4850.05001,4277.738132,8180.71192,11561.88604,10722.13533,9306.770382,7827.815227,6348.860072,4832.6429,56.02777778,68.16666667,104.0833333,119.5,104.25,89.83333333,77.66666667,65.5,53.5,58.3152868,64.9699012,42.27955535,28.29265382,23.75693103,23.66699423,24.00545712,24.50013367,21.6257833,188.0570074,238.2487305,176.6795929,131.7034007,119.2103681,117.4347404,118.4787887,120.0047055,117.7303543,7.0472848,7.2867856,7.160301407,7.038095278,7.011642667,7.001494386,7.0041725,7.008086667,7.0268644,1.382327743,1.783686586,1.417769731,1.127942866,1.053099295,1.037634417,1.044242352,1.053900104,1.058102744,161.6683337,142.5912711,151.4946652,160.5817505,162.4565959,163.2766734,163.0794839,162.7912839,161.0880967,1.867592593,2.272222222,1.927469136,1.659722222,1.579545455,1.576023392,1.618055556,1.679487179,1.783333333,0.064986683,-0.001062221,-0.025877041,-0.011866747,-0.004378842,0.00672011,0.00282795,0.002585921,-0.008279606,871.6752648,-1.06E-12,-237.2893776,-33.89848252,-77.48224576,14.52792108,9.68528072,4.84264036,-169.4924126,1620.917377,4.41E-13,-441.2497303,-63.03567576,-144.0815446,27.01528961,18.01019308,9.005096538,-315.1783788,0.1707552,2.72E-15,-0.04648336,-0.00664048,-0.01517824,0.00284592,0.00189728,9.49E-04,-0.0332024,7.246254851,1.72E-14,-1.972591598,-0.2817988,-0.644111542,0.120770914,0.080513943,0.040256971,-1.408993999,39.36177136,-3.46E-13,-10.71514887,-1.530735553,-3.498824121,0.656029523,0.437353015,0.218676508,-7.653677764,4.893518519,0.49537037,0.074074074,0.041666667,-0.847222222,-0.358796296,-0.449074074,0.113425926,-1.115740741,0.002166223,-3.54E-05,-4.79E-04,-1.65E-04,-6.63E-05,1.18E-04,5.89E-05,6.63E-05,-2.76E-04,29.05584216,-3.53E-14,-4.394247734,-0.470812257,-1.173973421,0.254875808,0.201776682,0.124170266,-5.649747087,54.03057923,1.47E-14,-8.171291303,-0.875495497,-2.183053706,0.473952449,0.375212356,0.230899911,-10.50594596,0.00569184,9.06E-17,-8.61E-04,-9.22E-05,-2.30E-04,4.99E-05,3.95E-05,2.43E-05,-0.001106747,0.241541828,5.72E-16,-0.036529474,-0.003913872,-0.009759266,0.002118788,0.001677374,0.00103223,-0.046966467,1.312059045,-1.15E-14,-0.198428683,-0.021260216,-0.053012487,0.01150929,0.009111521,0.00560709,-0.255122592,0.163117284,0.016512346,0.001371742,5.79E-04,-0.0128367,-0.006294672,-0.00935571,0.002908357,-0.037191358,-0.016345214,-0.221216608,-0.076084481,-0.03062755,0.054424997,0.027197399,0.030608886,-0.127404662,-1.21E-15,-0.151234568,-0.016203704,-0.04040404,0.00877193,0.006944444,0.004273504,-0.194444444,2.72E-16,-0.151234568,-0.016203704,-0.04040404,0.00877193,0.006944444,0.004273504,-0.194444444,1.59E-14,-0.151234568,-0.016203704,-0.04040404,0.00877193,0.006944444,0.004273504,-0.194444444,2.37E-15,-0.151234568,-0.016203704,-0.04040404,0.00877193,0.006944444,0.004273504,-0.194444444,-8.78E-15,-0.151234568,-0.016203704,-0.04040404,0.00877193,0.006944444,0.004273504,-0.194444444,0.101229896,0.008409545,0.003547777,-0.078696138,-0.038589852,-0.057355724,0.017829852,-0.228003784,1.164916513,1.197384661,0.962926074,0.921282859,0.828344029,0.885472322,0.976647366,1.281244965,1.208333333,1.230709877,0.978973765,0.976430976,0.918615984,0.923032407,0.929487179,1.141203704,1.208333333,1.230709877,0.978973765,0.976430976,0.918615984,0.923032407,0.929487179,1.141203704,1.208333333,1.230709877,0.978973765,0.976430976,0.918615984,0.923032407,0.929487179,1.141203704,1.208333333,1.230709877,0.978973765,0.976430976,0.918615984,0.923032407,0.929487179,1.141203704,1.208333333,1.230709877,0.978973765,0.976430976,0.918615984,0.923032407,0.929487179,1.141203704,1.086471145,0.961789131,0.881385998,0.925346177,0.905392621,1.003133869,1.013026708,1.481551561,74.67648576,37.33824288,60.0565357,74.67648576,6.22304048,37.33824288,-3.55E-14,0.319250438,0.026604203,-1.370135294,62.27888196,5.18990683,4.957946874,74.67648576,37.33824288,60.0565357,74.67648576,6.22304048,37.33824288,-3.55E-14,0.319250438,0.026604203,-1.370135294,62.27888196,5.18990683,4.957946874,74.67648576,37.33824288,60.0565357,74.67648576,6.22304048,37.33824288,-3.55E-14,0.319250438,0.026604203,-1.370135294,62.27888196,5.18990683,4.957946874,74.67648576,37.33824288,60.0565357,74.67648576,6.22304048,37.33824288,-3.55E-14,0.319250438,0.026604203,-1.370135294,62.27888196,5.18990683,4.957946874,74.67648576,37.33824288,60.0565357,74.67648576,6.22304048,37.33824288,-3.55E-14,0.319250438,0.026604203,-1.370135294,62.27888196,5.18990683,4.957946874,74.67648576,37.33824288,60.0565357,74.67648576,6.22304048,37.33824288,-3.55E-14,0.319250438,0.026604203,-1.370135294,62.27888196,5.18990683,4.957946874,91.57948121,45.33829729,74.91382944,91.46466639,7.622055533,45.33829729,-0.22962963,0.417845426,0.034820452,-1.04717245,65.70513696,5.47542808,5.022212533,0,11.85,12.1501417,-0.210044168,0.090119777,5.147031763,8.719086669,12,30,27,24,6,3,0,0,0,6,19.677726,3.785168331,3.421465843,3.077805684,2.689223392,2.619181914,2.280350512,1.810841527,1.399003984,1.994280099,1.848822888,1.598900118,1.2807743,1.082250302,0.98956026,0.794373808,0.63456542,3.797531372,3.451029363,3.11216002,2.725314636,2.645815032,2.331490768,1.888508502,1.502265592,1.958966972,1.788495815,1.523278667,1.190619921,1.007167592,0.890036457,0.674421646,0.489574575,3.854109098,3.580170468,3.266343272,2.892832801,2.771820215,2.549800917,2.213559708,1.921399684,1.865920708,1.605734023,1.297460653,0.927807963,0.798620231,0.592011045,0.274466004,0.00212105,3.806745646,3.472770856,3.137683507,2.752393064,2.665925019,2.368855873,1.945010734,1.576600871,1.93758813,1.749516228,1.474712622,1.133095544,0.960278991,0.826391596,0.594080704,0.391914385,3.883282618,3.642374738,3.342306434,2.978849627,2.838078588,2.652074339,2.359595908,2.103909377,1.839387541,1.547607829,1.226946272,0.849106969,0.738564276,0.495587506,0.134218306,0.179106647,3.889734537,3.422064449,3.139211077,2.805347209,2.793471301,2.415546676,1.988863221,1.635963211,1.902785985,1.741838579,1.444592328,1.077104486,0.814680205,0.745080957,0.5005061,0.293643086,0,0,0,5,1,1,5,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.612372436,0.649519053,0.219416097,0.27300174,0.255985446,8.648418081,5.931851653,4.353371151,3.190670698,2.335604198,1.707707785,0.823749909,0.552585858,0.720701507,0.494320971,0.334874704,0.22790505,0.155706947,0.106731737,0.074886355,0.055258586,7.922285252,4.971343774,3.296258731,2.161829883,1.400578078,0.894596295,0.442741612,0.280458885,0.660190438,0.414278648,0.253558364,0.15441642,0.093371872,0.055912268,0.040249237,0.028045889,16.87645023,28.99053168,27.52941176,27.84,19.18699042,227.4823796,0.562548341,0.966351056,0.917647059,0.928,0.639566347,7.582745988,3.8094,54.288,60.21012617,90.62665699,120.4202523,10.03502103,60.21012617,0.173390108,0.014449176,-2.102653514,84.98603113,7.082169261,5.330984284,167,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,6,0,0,5,0,0,0,0,0,0,0,0,1,0,5,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.2279484,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.990421509,0,1.587527754,0,0,1.990421509,0,0,0,0,0,0,0,0,2.252497166,0,6.686221104,0,0,10.74776038,0,0,0,0,1.48018802,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.48018802,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380644487,0,0.22158738,0,0,0.380644487,0,0,0,0,0,0,0,0,2.252497166,0,1.250833333,0,0,2.078911643,0,0,0,0,1.48018802,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.214231859,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.418460845,0,0.359305556,0,0,0.418460845,0,0,0,0,0,0,0,0,2.252497166,0,1.381779337,0,0,2.214231859,0,0,0,0,1.48018802,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.16666667,1.763888889,0.418460845,2.252497166,0.122050737,1.250833333,7.705455304,0.249166667,0.252497166,2.000515086,0.249166667,0.252497166,2.000515086,6,0.5,0,0,0.46,0.7,0.43333,0.43333,0.7,0.02667,0.02667,0,0,0.71429,0,0,0.08333,0.08333,0,12,1,6,0.5,6,0.5,0,0,0,0,9.10917,0.7591,13.98793,4.87875,0.40656,3.94966,0.32914,5.93185,1.98218,0.16518,-0.01785,-0.00149,0.06815,0.00568,0.2,12,0,0,0,0,0,0,0.5,0.970950594,2.262724019,3.20291008,3.923231429,4.053235913,4.11990258,29.12851783,67.88172058,96.08730239,117.6969429,121.5970774,123.5970774,0.197874922,0.461131948,0.652737211,0.799535134,0.826029404,0.83961574,3.935940001,2.644166576,1.703980516,0.983659167,0.853654682,0.786988016,0.192481113,0.4485621,0.634944456,0.777740862,0.803512933,0.816728924,6.79089428,16.67030326,21.5950911,24.0632675,24.19428928,24.99428928,46.03075755,34.12147213,24.87705198,19.7292234,19.35146811,18.18871187,10.08333333,6.50887574,4.591836735,6,6,6,2.78,1.5618,0,2.223412378,0.166666667,0,15.39491067,4.832409738,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,5.915,13,14,15,16,11,10,8,6,4,121,2.772588722,3.113515309,3.488902962,3.884137802,4.28960291,3.727198318,3.702843994,3.626006212,3.49839971,3.270044111,5.926592637,3.089876033,0.444444444,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.416666667,6,0.5,1,5,9,0.8,1,0.444444444,0.1875,0.151111111,0.090277778,0.060408163,0.043402778,0.032753842,0.015625,0,0.083333333,0.034188034,0.017045455,0.018888889,0.012896825,0.010068027,0.008680556,0.010917947,0.015625,0,0.211644067,41.83964908,65.84230423,83.67929815,6.973274846,41.83964908,0.181288381,0.015107365,-2.049199501,69.10955535,5.759129612,5.082831605,0,184.9424394,4.584962501,3.931825633,4.65396035,5.398162702,6.142037406,6.898714534,7.652070746,8.4147174,9.172949983,9.938902958,86.20334171,3.218875825,0,4.343805422,0,5.666426688,0,7.080867897,0,8.541885804,8.811801224,162.1408506,5.404695019,23.70751559,1.975626299,0,0,0,242,11,5.214,50,1.239143458,2.164611597,2.928328246,3.718191315,4.828781757,5.798736124,6.944950413,8.008062535,9.001978983,10.15053667,90.77378919,99.96644111,93.01937564,105.6404361,131.2220212,159.8507921,189.7336878,189.6334517,115.6484704,48.10494404,319.2122842,405.1129399,413.9197174,497.3164885,615.6040861,749.5750685,891.5529382,995.1960846,803.5716664,600.5539297,9.062224904,15.5447745,20.67066755,26.21186698,33.9193234,40.77150083,48.81141677,56.41216176,62.55187844,69.55613284,2.340395372,3.202846182,3.472977262,4.259760262,5.307230127,6.447918462,7.680751506,8.809687565,7.868110503,6.792364039,174.6457068,324.7414822,465.9100345,593.6122204,780.462023,934.2132551,1120.335544,1279.571391,1502.5391,1768.67536,2.898300767,4.282453317,4.994350653,6.147568597,7.83750849,9.729709232,12.03113352,14.67392548,14.37239628,13.5579181,0.482297695,0.66966762,0.734983836,0.90449506,1.128876592,1.370765542,1.633358076,1.879771143,1.707996724,1.508270639,362.049442,236.5051207,13.75432242,84.75411568,-55.36476524,-5.022248563,277.2953263,291.869886,18.77657098,0.810310115,0.529326852,0.030783825,0.189689885,-0.123912991,-0.011240395,161.7649787,105.6713293,6.14548019,37.86844041,-24.73717408,-2.243958525,0.094955606,0.099926971,2.312774369,0.958483384,446.8035577,0,1,0,851.0473621,29.17271606,9.476571492,1026.475573,32.03865748,10.08748433,1443.127861,37.98852275,11.30060263,2.618304297,2.618304297,1820.898261,1773.001272,157.2042501,1.027014639,11.58300911,11.27832912,5.56011162,5.921549863,11.40994206,0.926850626,5.428621256,6.615426049,4.666384867,26.74958148,9.625589788,4.386234614,5.883942684,11.31398736,13.02257228,3.062029651,4.519205805,8.137878422,6.94203733,5.148325513,4.051578385,3.026212055,6.408722408,3.442082872,3.816741269,1.032218952,0.977599578,0.864854052,1.29E-15,3.78E-52,2.18E-110,2.47E-190,5.50E-292,0,0,0,0.455696173,6.615154178,0.365531817,7.167665952,1.002590266,1.167412607,0.687307114,1.625901579,3.614861744,0.47310782,1.295343203,1.151167089,1.213921796,0.973817573,1.201508374,0.378814396,1.279429464,0.783785222,0.10753196,0.079096076,0.007001315,0.006091238,9.06E-18,2.66E-54,1.54E-112,1.74E-192,3.87E-294,0,0,0,1.470776201,6.615172933,1.196528584,8.65112776,1.673105853,1.575882655,1.687212922,2.939593544,5.035633009,0.820362056,1.789672277,2.151427783,1.8420455,1.617877161,1.611008775,0.895975566,2.025445091,1.193659689,0.484071304,0.260294104,0.072048308,0.063475394,9.44E-17,2.77E-53,1.60E-111,1.82E-191,4.04E-293,0,0,0,5.124182346,6.615396408,4.386498402,24.66155352,8.712223608,4.101248291,5.544285803,10.48604053,12.26991721,2.839435188,4.263920991,7.559496126,6.399940542,4.819165175,3.816159383,2.85592257,5.988233161,3.232384512,3.455026227,0.969145012,0.871103497,0.770569389,1.15E-15,3.36E-52,1.94E-110,2.20E-190,4.90E-292,0,0,0,2.167596818,6.615196717,1.780907106,10.41582497,2.456925245,1.93008719,2.391681063,4.038513558,6.159272605,1.112543204,2.177628519,2.964526804,2.43389854,2.121777184,1.943265418,1.257887707,2.626929341,1.514439139,0.855558616,0.388646148,0.1562131,0.137877038,2.05E-16,6.02E-53,3.48E-111,3.94E-191,8.76E-293,0,0,0,6.555821512,6.615550554,5.721516674,35.49027117,13.44504852,5.541251269,7.165976501,14.64615539,16.00996953,3.958980358,5.530176935,10.4504318,9.166527196,6.450625304,4.992421503,3.66604795,8.086502152,4.271820251,5.308882762,1.271117607,1.425358743,1.261308354,1.88E-15,5.51E-52,3.18E-110,3.61E-190,8.02E-292,0,0,0,3.041474642,5.512113434,2.596062986,12.66058933,3.783040373,2.54476148,3.281428392,5.599828897,7.170015374,1.478766742,2.658617971,4.270135307,3.294786068,3.0003575,2.449901961,1.854058249,4.021020094,2.299390784,1.556692802,0.632044062,0.314693915,0.277971567,4.14E-16,1.21E-52,7.01E-111,7.95E-191,1.77E-292,0,0,0,11.74056204,1.183754237,0.727845862,0.859978216,0.086708188,0.564730694,0.393304162,0.397580091,13.65216214,23.30485018,47.07257048,0.789967324,1.355614947,11.01910542,0.632405371,0.337170251,0.919125747,0.052750204,0.497450193,0.113934836,0.085399565,11.98868104,10.89708428,25.23535019,0.878688621,0.696784594,11.28071537,0.832520417,0.479041309,0.895843959,0.066113572,0.521339839,0.196214949,0.172247657,12.59227709,15.19416618,32.2853242,0.843765939,0.889802446,11.71995833,1.168032406,0.716711695,0.861463776,0.08585505,0.562748299,0.383060891,0.385503986,13.60470243,22.92626482,46.34224231,0.792195664,1.331313177,11.40724314,0.929233155,0.54756726,0.885377567,0.072122789,0.533100896,0.243822194,0.225016515,12.88404355,17.35503905,36.04328928,0.828066351,1.001939605,11.80612215,1.233770492,0.763266351,0.855320304,0.089383198,0.571062499,0.426770377,0.437240375,13.80315899,24.51895641,49.43988752,0.782980456,1.435073251,11.76126035,1.171274721,0.717149236,0.861650723,0.085809656,0.566718765,0.384976801,0.385771152,13.6496843,23.05022458,46.5791179,0.792476084,1.337466719 +UMLYSI0109,L,n-butylbenzene,CCCCC1=CC=CC=C1,aromatic,C10H14,104-51-8,7705,PubChem,,245.1,0,0.7455,0.55577025,46.323,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,1895.678915,1643.557617,1174.44399,955.505213,648.773499,289.634857,56.556864,4670.34144,5841.481647,7713.603795,7469.048158,5854.287603,4680.183514,3531.910628,2058.624615,707.6164209,169.463656,175.052008,301.19726,380.97306,336.998616,273.31538,210.805932,166.456036,82.21824,34.11358067,43.47862034,61.18418518,63.16882866,51.46149573,41.10210406,31.74308232,20.37324227,8.011080479,3856.790689,3411.659229,6332.307522,8603.975729,7764.225018,6348.860072,4832.6429,4030.154205,2091.831407,47.52777778,57.66666667,85.58333333,95,79.83333333,65.5,53.5,37.5,16,60.70275442,67.17251842,45.13521226,30.43625217,24.46758312,24.50013367,21.6257833,12.06811904,4.713072,194.59756,243.3950686,183.6572332,138.3157066,121.9643251,120.0047055,117.7303543,85.77602562,58.96803508,7.060985667,7.293833667,7.171363333,7.055056667,7.0208045,7.008086667,7.0268644,6.935668167,6.85152,1.421399194,1.811609181,1.456766314,1.169793123,1.072114494,1.053900104,1.058102744,0.848885095,0.66759004,160.6996121,142.1524679,150.7692267,159.3328839,161.7546879,162.7912839,161.0880967,167.9230919,174.3192839,1.980324074,2.402777778,2.037698413,1.759259259,1.663194444,1.679487179,1.783333333,1.5625,1.333333333,0.056537236,-0.001083464,-0.021760538,-0.011914902,-0.002337638,0.009316995,-0.00738639,-8.34E-04,0.00347394,706.2183858,-4.97E-14,-156.3769283,-45.39975338,-80.71067267,12.6110426,-166.4657624,-30.26650225,50.44417042,1313.243245,2.42E-13,-290.7895757,-84.42278004,-150.0849423,23.45077223,-309.5501935,-56.28185336,93.80308893,0.138343333,2.24E-15,-0.030633167,-0.0088935,-0.015810667,0.002470417,-0.0326095,-0.005929,0.009881667,5.870808328,1.36E-14,-1.299964701,-0.377409107,-0.670949523,0.104835863,-1.383833392,-0.251606071,0.419343452,31.89032402,-1.08E-13,-7.061428889,-2.050092258,-3.644608459,0.569470072,-7.517004947,-1.366728172,2.277880287,4.415509259,0.258101852,-0.026909722,-0.327256944,-1.030092593,0.189380787,-1.172164352,-0.474537037,0.028356481,0.002355718,-4.51E-05,-5.18E-04,-2.21E-04,-4.87E-05,2.39E-04,-2.46E-04,-3.47E-05,2.89E-04,29.42576608,-2.07E-15,-3.723260197,-0.840736174,-1.681472347,0.323360067,-5.548858746,-1.26110426,4.203680868,54.71846854,1.01E-14,-6.923561326,-1.563384816,-3.126769631,0.601301852,-10.31833978,-2.345077223,7.816924078,0.005764306,9.32E-17,-7.29E-04,-1.65E-04,-3.29E-04,6.33E-05,-0.001086983,-2.47E-04,8.23E-04,0.244617014,5.67E-16,-0.030951541,-0.006989058,-0.013978115,0.002688099,-0.04612778,-0.010483586,0.034945288,1.328763501,-4.50E-15,-0.168129259,-0.037964671,-0.075929343,0.014601797,-0.250566832,-0.056947007,0.189823357,0.183979552,0.010754244,-6.41E-04,-0.006060314,-0.021460262,0.004855918,-0.039072145,-0.019772377,0.00236304,-0.019163723,-0.219936344,-0.093664148,-0.020673435,0.101411664,-0.104517172,-0.014747839,0.122890324,-7.04E-17,-0.126530612,-0.028571429,-0.057142857,0.010989011,-0.188571429,-0.042857143,0.142857143,1.84E-16,-0.126530612,-0.028571429,-0.057142857,0.010989011,-0.188571429,-0.042857143,0.142857143,1.62E-14,-0.126530612,-0.028571429,-0.057142857,0.010989011,-0.188571429,-0.042857143,0.142857143,2.32E-15,-0.126530612,-0.028571429,-0.057142857,0.010989011,-0.188571429,-0.042857143,0.142857143,-3.38E-15,-0.126530612,-0.028571429,-0.057142857,0.010989011,-0.188571429,-0.042857143,0.142857143,0.058453473,-0.003482494,-0.032940149,-0.116644823,0.02639379,-0.212372215,-0.107470511,0.012844037,1.11295963,1.158972095,0.980141584,0.927112102,0.844491744,1.156886063,1.025556928,0.834187917,1.15,1.173469388,0.985714286,0.985714286,0.90989011,1.117142857,0.903571429,0.657142857,1.15,1.173469388,0.985714286,0.985714286,0.90989011,1.117142857,0.903571429,0.657142857,1.15,1.173469388,0.985714286,0.985714286,0.90989011,1.117142857,0.903571429,0.657142857,1.15,1.173469388,0.985714286,0.985714286,0.90989011,1.117142857,0.903571429,0.657142857,1.15,1.173469388,0.985714286,0.985714286,0.90989011,1.117142857,0.903571429,0.657142857,1.085190039,0.962890844,0.936478812,1.00078637,0.89041234,1.302228047,1.11231979,0.868152031,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,46.86954033,23.43477016,37.0424096,46.86954033,4.686954033,23.43477016,1.78E-14,0.33207622,0.033207622,-1.102390757,47.7489103,4.77489103,3.865956246,57.26513058,28.25463308,46.2009397,57.19579725,5.719579725,28.25463308,-0.173333333,0.450610852,0.045061085,-0.797151169,80.75064815,8.075064815,4.391365989,0,11.85,12.1501118,-0.210044168,0.090088222,5.207143774,8.601194161,10,24,21,18,4,3,0,0,0,6,15.304898,3.784364516,3.312688401,2.83232124,2.619181914,2.346140264,1.742618974,1.239038839,0.941428501,1.99069284,1.771563753,1.394274641,1.082250302,1.002126503,0.761949393,0.56588451,0.310513972,3.796666404,3.344032745,2.866363615,2.645815032,2.392041045,1.824240739,1.353628363,1.053336623,1.956282132,1.706284368,1.30894997,1.007167592,0.907101456,0.638963584,0.413706806,0.150156259,3.852871796,3.481937591,3.025869471,2.771820215,2.589553982,2.163417764,1.810352352,1.517793787,1.864580578,1.509374337,1.059237931,0.798620231,0.628239066,0.226572726,0.107555542,0.396843083,3.80583111,3.367146821,2.892024727,2.665925019,2.425626214,1.883475757,1.43557583,1.134811365,1.93532215,1.664191716,1.254445418,0.960278991,0.846765677,0.556404819,0.310901952,0.041902902,3.881770447,3.548754759,3.107887283,2.838078588,2.683638968,2.31466653,2.00573419,1.721464227,1.838264548,1.447043516,0.984138956,0.738564276,0.540146324,0.080971679,0.298059637,0.594311107,3.859363052,3.327500427,2.91562892,2.775160709,2.470270584,1.919815676,1.489213202,1.268619127,1.9107639,1.655585484,1.211380533,0.841987852,0.777206439,0.475473054,0.223638393,0.100960309,0,0,0,5,1,1,3,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.612372436,0.679412342,0.219416097,0.27300174,0.273244345,7.234204519,4.931851653,3.64626437,2.690670698,1.968614081,1.513420006,0.637136847,0.348461713,0.723420452,0.493185165,0.331478579,0.224222558,0.151431852,0.108101429,0.079642106,0.058076952,6.50807169,3.971343774,2.58915195,1.661829883,1.025578078,0.68921783,0.286808989,0.139400107,0.650807169,0.397134377,0.23537745,0.138485824,0.078890621,0.049229845,0.035851124,0.023233351,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,3.0292,45.054,44.38801919,65.39551953,88.77603837,8.877603837,44.38801919,0.155799856,0.015579986,-1.859183073,41.5279113,4.15279113,3.726365763,107,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,4,0,0,5,0,0,0,0,0,0,0,0,1,0,3,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.11191704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.02800985,0,1.137892928,0,0,2.02800985,0,0,0,0,0,0,0,0,2.225138889,0,3.829610733,0,0,10.64955593,0,0,0,0,1.462361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.462361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.389652778,0,0.237999221,0,0,0.389652778,0,0,0,0,0,0,0,0,2.225138889,0,1.233472222,0,0,2.064926304,0,0,0,0,1.462361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.190138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.424047265,0,0.359305556,0,0,0.424047265,0,0,0,0,0,0,0,0,2.225138889,0,1.309537037,0,0,2.190138889,0,0,0,0,1.462361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.16666667,1.816666667,0.424047265,2.225138889,0.134097222,1.233472222,6.28382182,0.266527778,0.225138889,1.749389645,0.266527778,0.225138889,1.749389645,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.1,0.1,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.36978,0.63698,10.92787,4.55808,0.45581,2.94966,0.29497,4.93185,1.98218,0.19822,-0.01785,-0.00178,0.06815,0.00682,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.345437252,3.204986856,3.772055209,3.970175521,3.970175521,23.51685016,56.29049406,76.91968454,90.52932501,95.28421252,95.28421252,0.213713581,0.511549931,0.699021389,0.822701431,0.865912321,0.865912321,3.605093744,2.239525248,1.379975645,0.812907292,0.614786979,0.614786979,0.206076118,0.493268716,0.674040522,0.793300621,0.834967288,0.834967288,6.772325919,17.12993833,21.13574077,23.88501959,24.0846902,24.0846902,37.92632204,28.30072848,21.86929522,17.3948625,16.84298282,16.84298282,8.1,4.760330579,3.111111111,4,6,4,2.56,1.28,0,2.142414564,0.25,0,11.46750113,4.68730728,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,4.917,11,12,13,14,8,6,4,2,0,90,2.63905733,3.020424886,3.425889994,3.842136878,4.261799208,3.626006212,3.49839971,3.270044111,2.784239339,0,5.696883733,3.299305556,0.428571429,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.3,4,0.4,0,4,7,0.75,1,0.444444444,0.1875,0.151111111,0.090277778,0.060408163,0.027777778,0,0,0,0.1,0.04040404,0.020833333,0.025185185,0.018055556,0.020136054,0.027777778,0,0,0,0.252391947,27.56160995,42.5576848,55.12321989,5.512321989,27.56160995,0.162869141,0.016286914,-1.814808216,52.10125507,5.210125507,3.953189038,0,150.3504702,4.321928095,3.761200116,4.48863637,5.241747015,5.993961427,6.758094504,7.518064181,8.285765421,9.048409505,9.817439348,80.91331789,3.044522438,0,4.17438727,0,5.517452896,0,6.955592608,0,8.438366411,8.701346403,134.1095504,5.587897935,19.70454557,1.970454557,0,0,0,133,9,4.076,42,1.236512656,2.16566162,2.945182849,3.752934256,4.767487734,5.70139675,6.658625651,7.775499893,8.599688969,0,92.91185031,106.3617955,98.23942158,106.5508694,131.8079791,138.0204277,86.57532591,36.67440266,8.737834373,0,323.9803594,420.6911052,432.6005465,502.6319918,614.8636585,717.4181332,599.5062014,458.7164725,267.3105341,0,9.050443239,15.57610368,20.83834816,26.46188586,33.50739295,40.18431718,46.28900726,53.27499758,57.77670075,0,2.364973853,3.289913955,3.601334769,4.306348404,5.284995284,6.327195255,5.857758582,5.192529726,3.823532693,0,173.8105839,323.3515289,464.9155743,598.7398684,769.1777534,909.4526376,1109.813217,1355.339557,1590.234292,0,3.059063459,4.534347582,5.320605167,6.498488625,8.262315242,10.50381416,10.68101121,10.36984981,8.599688969,0,0.486961494,0.686538141,0.760893556,0.914382427,1.123512383,1.349201219,1.271076539,1.153193737,0.88060815,0,299.8422422,164.051516,12.10474298,83.62196423,-45.75175899,-4.96214732,216.220278,209.803275,17.0668903,0.781930196,0.427814417,0.031566813,0.218069804,-0.119311681,-0.012940314,114.9787675,62.9078844,4.641735662,32.06603016,-17.54416195,-1.902805884,0.11337201,0.119290386,2.761331203,1.144214144,383.4642065,0,1,0,726.8842238,26.96079049,8.991284665,863.5642905,29.38646441,9.522805011,1209.714033,34.78094353,10.65518283,2.155863452,2.056590322,906.0635104,849.0992892,133.2421099,1.067087821,6.800128814,6.372604653,4.682917228,5.282500282,9.005334831,0.704748575,4.313019043,4.718391434,4.073719855,16.80382595,5.675890491,4.386203333,4.295354568,11.04892899,6.708138006,2.253333605,4.956034934,3.103237048,2.344910266,3.311506518,2.735291752,0.12706343,1.99694085,3.97E-11,1.58E-43,1.25E-97,1.96E-173,6.07E-271,0,0,0,0,0,0,0,0,0.362071409,4.718203773,0.321297953,5.140880753,0.974457577,1.167381582,0.442189248,1.624103257,1.516130279,0.466716066,1.336112737,0.870591671,1.007443431,0.207141069,0.171716765,0.004542459,0.014064618,2.80E-13,1.11E-45,8.81E-100,1.38E-175,4.27E-273,0,0,0,0,0,0,0,0,1.168544053,4.718216744,1.050109271,6.088717852,1.382411918,1.575851612,1.167889273,2.920315765,2.331957044,0.759220074,1.921508578,1.171657439,1.153490169,0.678300196,0.592433308,0.018696975,0.14656416,2.92E-12,1.16E-44,9.18E-99,1.44E-174,4.45E-272,0,0,0,0,0,0,0,0,4.07114486,4.718370983,3.830861083,15.58294502,5.192895999,4.101217038,4.037952865,10.24992547,6.303977553,2.118422304,4.680120039,2.911840832,2.218117702,3.063969527,2.542067865,0.115722777,1.779238345,3.54E-11,1.41E-43,1.11E-97,1.75E-173,5.41E-271,0,0,0,0,0,0,0,0,1.722162239,4.718233171,1.56144243,7.164811825,1.826273413,1.930056125,1.684116276,3.996471068,2.964437087,0.98144745,2.368944012,1.424252817,1.291443359,1.049988168,0.91169533,0.03163657,0.318356941,6.34E-12,2.52E-44,2.00E-98,3.13E-174,9.67E-272,0,0,0,0,0,0,0,0,5.208570274,4.718477331,4.987834001,21.89972696,7.685809543,5.54121987,5.272824386,14.25936922,8.302560158,2.781843474,6.039283815,3.874016161,2.86536231,4.293300112,3.491910207,0.173412805,2.912350554,5.80E-11,2.31E-43,1.83E-97,2.86E-173,8.85E-271,0,0,0,0,0,0,0,0,2.360270699,3.903198195,2.188889187,8.169371273,2.369025778,2.399027317,2.334252143,5.199080202,3.817638826,1.236995723,2.937549482,1.892827422,1.720305088,1.542113335,1.42966056,0.052876773,0.605082658,1.20E-11,4.79E-44,3.79E-98,5.95E-174,1.84E-271,0,0,0,0,0,0,0,0,7.338824502,1.3021147,0.628376278,0.791733167,0.140475821,0.56273327,0.406320533,0.358775434,9.269315479,14.98575247,30.25982617,0.687599751,1.327829237,6.316060999,0.70912196,0.285260366,0.863977835,0.097001225,0.416959952,0.121063333,0.074103684,7.310443325,6.482863817,15.07094769,0.795966753,0.612126968,6.679265393,0.919787576,0.407140703,0.834262281,0.114884502,0.466225371,0.203307865,0.150796945,8.006193671,9.23738909,19.74485384,0.751393421,0.820330182,7.308677453,1.284645654,0.618266188,0.793421984,0.139459719,0.558123876,0.395538583,0.347338117,9.211589296,14.70202185,29.71854993,0.690132976,1.301000576,6.858010555,1.023429983,0.467107496,0.821461472,0.122587782,0.491482014,0.251505795,0.198411375,8.348548034,10.70017358,22.32720601,0.732192208,0.941399184,7.435131557,1.357916974,0.660672533,0.786476722,0.143638358,0.577585588,0.441725458,0.396551605,9.453721064,15.90561699,32.02968043,0.679715084,1.415862651,7.327320093,1.287290407,0.617878745,0.793645126,0.13943048,0.560973763,0.397074103,0.346858202,9.232489245,14.75517359,29.81573543,0.690467689,1.304906068 +UMLYSI0110,L,diphenyl ether,C1=CC=C(C=C1)OC2=CC=CC=C2,aromatic,C12H10O,101-84-8,7583,PubChem,,241.4,0,1.7591,3.09443281,62.1861,28.58993,12,12,23,13,10,0,12,0,1,0,0,0,0,0,0,0,1997.298093,2236.56831,2886.231289,2526.075406,1780.576658,1624.244506,1376.104808,778.898404,249.249337,5609.431042,6835.027989,9011.370058,8317.543831,6176.631325,5900.370653,5577.729286,3778.523424,1590.079788,171.022548,181.73028,280.514884,349.52572,271.671128,206.632936,215.31536,197.791888,118.229284,38.55613305,47.2809231,63.8839462,61.21322138,46.27547552,44.09951931,44.1334492,32.5292122,15.25415772,3556.160079,3359.444407,5324.150897,7163.846152,5684.835497,4215.453295,4510.231316,4436.479404,2831.115954,67.80555556,77,114.7777778,124.6666667,91.33333333,72.33333333,71.33333333,56,28,86.83904752,93.19034625,78.00625105,54.91468274,49.46046272,58.00873236,45.87016027,27.81780014,14.66172571,243.8883062,284.7928329,243.5505421,180.8161702,171.5730924,210.7275233,185.9243095,134.9472652,93.53410519,7.435762957,7.572095,7.581483351,7.598385217,7.546420222,7.379747714,7.177178667,7.063996,6.954663765,1.676353611,1.970038463,1.726593141,1.330722204,1.285429876,1.574982833,1.471114973,1.161757579,0.897303395,154.6156556,139.9768503,143.8959702,155.7357859,157.9120971,150.5519034,150.3410439,158.445693,166.5362326,2.948067633,3.208333333,3.102102102,2.710144928,2.537037037,2.583333333,2.377777778,2,1.647058824,0.175215363,-0.069828002,0.010694427,-0.014184505,-0.013803381,-0.013377213,0.002559434,-0.006437818,0.00518668,737.6552877,39.6436714,-154.538675,-111.2626337,-56.22783803,-87.57942612,-196.9974809,-59.62469047,112.3858573,1228.832448,6.165110735,-493.1390815,-119.6503346,110.6676354,46.08615161,-365.4073651,-167.063451,141.1502194,1.044257739,0.025705316,0.043105028,-0.304531478,-0.336592635,-0.206854291,0.007492688,0.075456665,0.10100428,5.651948327,-0.186762706,-2.844086444,-0.442344715,0.987024652,0.773656385,-1.597743468,-0.873854859,0.459071596,31.4235299,-1.386172591,-16.54844964,-2.377018847,6.075963069,5.117240421,-8.592849712,-4.929567017,2.227157584,8.81884058,-0.774732199,0.413411048,-1.847826087,-1.573934047,-1.588636841,-1.196072254,-0.306028145,1.135108171,0.007618059,-0.0029095,2.89E-04,-3.08E-04,-3.83E-04,-4.78E-04,8.53E-05,-2.30E-04,3.05E-04,32.07196903,1.651819642,-4.176720945,-2.418752907,-1.56188439,-3.127836647,-6.566582696,-2.129453231,6.610932784,53.42749775,0.256879614,-13.32808328,-2.60109423,3.074100984,1.645933986,-12.1802455,-5.966551821,8.302954081,0.04540251,0.001071055,0.001165001,-0.00662025,-0.009349795,-0.007387653,2.50E-04,0.002694881,0.005941428,0.245736884,-0.007781779,-0.076867201,-0.009616189,0.027417351,0.027630585,-0.053258116,-0.031209102,0.027004212,1.36624043,-0.057757191,-0.447255396,-0.051674323,0.168776752,0.182758586,-0.286428324,-0.176055965,0.13100927,0.383427851,-0.032280508,0.011173272,-0.040170132,-0.04372039,-0.05673703,-0.039869075,-0.010929577,0.066771069,-0.381921429,0.037941233,-0.040477343,-0.050331355,-0.062713821,0.011198975,-0.030181185,0.040049419,0.051503531,-0.130229639,-0.075416414,-0.048699361,-0.097525557,-0.204745231,-0.066396087,0.206128061,0.004808004,-0.249461117,-0.04868456,0.057537806,0.03080687,-0.227977091,-0.111675674,0.155406007,0.023590211,0.025659391,-0.145812411,-0.205931243,-0.162714643,0.005500935,0.059355328,0.130861227,-0.03166712,-0.312802865,-0.039132056,0.111571983,0.112439715,-0.216728213,-0.127002107,0.109890754,-0.042274544,-0.327362143,-0.037822276,0.123533712,0.133767514,-0.209647085,-0.128861627,0.095890348,-0.084189263,0.02914048,-0.104765818,-0.114025077,-0.147973158,-0.103980645,-0.028504911,0.174142459,1.280528489,1.040704435,1.508318419,1.492557251,0.896853998,0.41357687,0.486921383,0.445122411,0.771992939,1.001504353,1.096966602,1.087612052,1.013092977,1.083210102,1.031628668,0.849576551,0.865383992,1.122660314,0.967964633,0.883837428,0.917033608,1.209148514,1.151570013,0.948351776,0.827819577,1.0739281,1.896897018,1.899690866,0.955671292,0.149891731,0.142754029,0.117562142,0.93833424,1.217298474,0.982225201,0.84714656,0.841999067,1.175240801,1.119276954,0.921757491,0.959549088,1.244820439,1.001280316,0.852350614,0.820178081,1.148235856,1.093557958,0.900577142,0.892187072,0.917704886,1.422076144,1.407095469,1.002318347,0.70220031,0.712759714,0.586978588,57.49794284,28.87397142,44.96242749,57.70948131,4.43919087,28.87397142,0.25,4.16E-16,3.20E-17,-46.03955815,2000046.706,153849.7466,18.86128542,57.51722686,28.88324622,44.97985672,57.72814389,4.440626453,28.88324622,0.249265579,5.83E-16,4.48E-17,-45.60214424,2000046.699,153849.7461,18.86128541,74.60120679,37.10110616,60.59149457,74.50913114,5.731471626,37.10110616,-0.398994478,6.11E-16,4.70E-17,-45.54166822,2000043.565,153849.505,18.86128338,57.53746576,28.89298028,44.99814969,57.74773059,4.442133122,28.89298028,0.2484948,1.11E-16,8.54E-18,-47.75784074,2000046.692,153849.7455,18.86128541,92.69747662,45.80759118,77.30287591,92.4477164,7.1113628,45.80759118,-1.082294264,3.33E-16,2.56E-17,-46.32964477,2000042.59,153849.43,18.86128274,59.51729546,29.84521482,46.79092675,59.66379362,4.589522586,29.84521482,0.173134186,1.94E-16,1.49E-17,-47.03034022,2000046.044,153849.6957,18.86128499,56.46996933,28.23792586,43.77922962,56.67937104,4.359951619,28.23792586,0.388888889,0.006567581,5.05E-04,-6.533292584,255.9688516,19.68991166,7.208572493,0,11.85,15.99491765,-0.309928702,0.105638119,6.498449219,8.292988271,14,24,18,12,2,6,0,0,0,12,12.84807,3.827656048,3.685571875,2.886365473,2.619181914,2.619181914,2.504002052,1.512125399,0.941428501,1.959523964,1.887024474,1.082250302,1.082250302,1.076225295,0.918665126,0.310513972,0.310513972,3.803112344,3.697839778,2.807147555,2.645815032,2.645815032,2.524959487,1.318829248,1.053336623,1.955171274,1.85438747,1.086815975,1.007167592,1.007167592,0.844854126,0.150156259,0.150156259,3.87903639,3.753641659,2.962819359,2.771820215,2.771820215,2.62904968,1.751685002,1.517793787,1.856834898,1.765197588,0.889586036,0.798620231,0.798620231,0.652258884,0.370425025,0.396843083,3.801647559,3.706968874,2.792700528,2.665925019,2.665925019,2.541019993,1.289713416,1.134811365,1.952529949,1.834252271,1.094892041,0.960278991,0.960278991,0.799840051,0.117301435,0.041902902,3.894083996,3.782107253,2.978818535,2.838078588,2.838078588,2.687104756,1.830896772,1.721464227,1.840043098,1.739187207,0.867971426,0.738564276,0.738564276,0.600771853,0.472227433,0.594311107,3.876496462,3.722668816,3.005367556,2.708963957,2.708963957,2.537089705,1.802437366,1.220276214,1.892406328,1.811840462,0.951091166,0.902163942,0.902163942,0.77813561,0.058638057,0.058638057,0,0,0,12,0,0,0,0,0,0,0,0,0.204124145,0.144337567,0,0,0,0.06415003,0.02618914,0.40824829,0,0,0,0.136082763,0,0,0,0.81305253,1.279039102,1.579084876,0.225176222,0.293217604,0.297540475,8.932875131,6.449489743,5.24377395,4.116156409,3.317088374,2.632993162,1.231484176,0.833333333,0.687144241,0.460677839,0.308457291,0.20580782,0.138212016,0.09403547,0.061574209,0.041666667,7.181750982,4.229615496,2.728167132,1.722112591,1.113155983,0.711324282,0.233821965,0.1309457,0.552442383,0.302115393,0.16048042,0.08610563,0.046381499,0.025404439,0.011691098,0.006547285,15.42393812,22.76984705,21.97647059,22.2,16.47301198,170.4946587,0.670606005,0.98999335,0.955498721,0.965217391,0.716217912,7.412811247,3.97969,55.019,79.59091319,115.9883525,159.1818264,12.24475588,79.59091319,5.55E-16,4.27E-17,-45.66557145,2000049.405,153849.9543,18.86128717,174,0,0,1,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.578333333,21.255,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.080833333,0,0,0,0,5.080833333,0,0,0,0,0,0,0,0,0,0,0,0,0,19.51666667,0,0,0,0,1.738333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.578333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.578333333,0.869166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.48,0,0,0,0,0.48,0,0,0,0,0,0,0,0,0,0,0,0,0,1.9375,0,0,0,0,0.869166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.578333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.578333333,1.970092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.533333333,0,0,0,0,0.533333333,0,0,0,0,0,0,0,0,0,0,0,0,0,1.970092593,0,0,0,0,0.869166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.578333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26.83333333,2.064102564,0.533333333,5.578333333,0.044166667,0.869166667,6.18315,0.7975,2.078333333,4.156666667,0.7975,2.078333333,4.156666667,6.33333,0.48718,0,0.01282,0.55942,0.75897,0.44054,0.47048,0.75897,0.11888,0.08894,-0.02994,0,0.64189,0.0724,0,0,0.15789,0,20,1.53846,7.5,0.57692,12.5,0.96154,5,0.38462,0.5,0.03846,5.39888,0.4153,15.71889,10.32,0.79385,2.22778,0.17137,6.44948,4.22169,0.32475,-0.03548,-0.00273,0.13652,0.0105,0.565217391,40.01,0,1,1,1,0,0,0,1.208830175,1.547972308,1.970124741,2.805745652,3.21921413,3.21921413,27.80309403,35.60336309,45.31286904,64.53214998,74.04192499,74.04192499,0.267229716,0.34220208,0.435525093,0.620251403,0.711654701,0.711654701,3.314731781,2.975589648,2.553437215,1.717816305,1.304347826,1.304347826,0.246353602,0.315469089,0.401501664,0.571797067,0.656059895,0.656059895,9.548811986,13.61851758,18.68434677,24.0714243,24.48812818,24.48812818,42.05660049,41.8216385,39.21377386,31.60343317,30.40748374,30.40748374,9.551020408,5.024221453,3,0,13,0,2.67,1.3829,0,0,0,0,13.99526164,8.079390911,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.392,0.41,1.164,1.302,6.428,17,20,24,28,20,20,20,16,12,204,3.044522438,3.555348061,4.034240638,4.535284059,5.029620594,4.721841493,5.029620594,5.432902891,5.614495784,5.731873777,7.272127088,7.05200674,0.5,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.142857143,2,0.142857143,0,4,8,1,1.5,0.444444444,0.375,0.302222222,0.013888889,0.078367347,0.048611111,0,0,0,0.107142857,0.026143791,0.026785714,0.030222222,0.001388889,0.009795918,0.012152778,0,0,0,0.21363217,41.71068999,64.46310845,83.42137999,6.41702923,41.71068999,5.55E-16,4.27E-17,-45.66557145,2000047.605,153849.8158,18.861286,9.23,162.5668313,4.700439718,4.143134726,4.919980926,5.720311777,6.51174533,7.319202459,8.115221973,8.924922401,9.722505099,10.53297582,92.91000051,3.36729583,0,4.574710979,0,5.993961427,0,7.496097345,0,9.032289682,9.278559611,170.0731649,7.394485432,26.5915089,2.045500685,3.108163248,3.108163248,0,264,14,2.163,62,1.254169515,2.236375636,3.064243063,4.042573915,4.748673797,5.333990521,6.23320884,7.211348534,8.246215652,9.132271206,126.1131572,183.6314318,175.0699642,206.5283623,291.4944795,267.0746053,184.0849824,107.2446731,38.64436569,9.278972011,374.8618584,561.018433,565.7484051,702.7687164,1035.370261,1056.745942,876.4003064,686.1399239,484.5989619,283.8651843,9.565443235,17.0357178,23.38204445,30.65358389,35.16940186,38.4345721,44.13024021,50.20834117,56.4911705,61.35483534,2.553404377,3.932600235,4.137721081,5.209974498,7.64846423,8.246970011,7.470952243,6.564037911,5.491783861,4.060325629,174.3191107,320.7677547,473.3503578,640.4157235,713.5383662,790.9561089,980.2344159,1196.500925,1438.106932,1688.718149,4.170271254,7.11423303,8.552516724,10.40693104,12.50093442,13.18768575,12.77617983,12.01710464,10.97506042,9.132271206,0.547519191,0.866191833,0.951403053,1.181889807,1.616427448,1.719969609,1.583832541,1.419763882,1.219901523,0.935144572,251.2850335,200.10487,16.2319454,170.254286,-135.5779582,-12.76170072,81.03074752,335.6828282,28.99364612,0.596112917,0.474700368,0.038506361,0.403887083,-0.321625889,-0.030274046,105.926522,84.35207072,6.842403217,71.76887586,-57.15144023,-5.379558637,0.103620364,0.389148802,1.182915616,6.01780623,406.075296,15.46402351,0.963315347,0.036684653,1136.066443,33.70558474,10.43441031,1235.059926,35.14341939,10.72908478,2043.960196,45.21017801,12.69085293,2.166287732,2.166287732,1280.791054,1086.266054,194.6420288,1.179076755,6.580238925,5.580840173,4.889268123,5.341296784,9.436868051,0.766774705,3.605889202,2.541819198,5.194280685,13.01361785,2.361198328,3.170421208,4.857767485,3.127355445,11.2272439,3.014572317,5.272565899,0.841650726,6.704644208,2.524938171,1.936902668,0.564824066,1.002890792,0.990454481,1.70E-14,8.20E-50,7.68E-107,1.39E-185,4.83E-286,0,0,0,0,0,0,0,0.302820815,2.811750329,0.438013847,6.058116871,0.613460774,1.89958151,1.590266547,0.270587956,4.479881353,1.332945139,3.123126912,0.653055767,0.403776151,0.267876177,0.055258879,0.04740177,0.007063442,0.006975852,1.20E-16,5.78E-52,5.41E-109,9.77E-188,3.40E-288,0,0,0,0,0,0,0,0.977035653,2.28501591,1.4082226,5.44984288,0.732707502,1.448130071,1.768378782,0.606258452,5.425064753,1.447179343,3.561873233,0.69154982,1.243556681,0.728573354,0.249080116,0.153018692,0.07360651,0.072693755,1.25E-15,6.02E-51,5.64E-108,1.02E-186,3.54E-287,0,0,0,0,0,0,0,3.403675232,2.824727168,4.903470686,13.30823208,2.172844204,3.494118007,4.927537365,3.417451349,10.71150808,2.858447929,5.140978784,0.8301043,6.161001855,2.386756335,1.754401257,0.533147844,0.89355764,0.882477111,1.51E-14,7.31E-50,6.84E-107,1.24E-185,4.30E-286,0,0,0,0,0,0,0,1.439866606,2.085789202,2.074463121,5.610647005,0.884411482,1.382934339,2.058609769,0.770255619,6.189475745,1.586539267,3.863058829,0.717975434,1.952573499,1.044832659,0.438625156,0.225521397,0.159883176,0.15790055,2.71E-15,1.31E-50,1.22E-107,2.21E-186,7.70E-287,0,0,0,0,0,0,0,4.354605352,2.7249661,6.272706618,16.69256215,3.164530287,3.826739562,5.859846669,4.339748716,13.50911639,3.794885985,5.759773757,0.884402828,8.896799507,3.036570261,2.689047022,0.682106859,1.462621968,1.444484776,2.48E-14,1.20E-49,1.12E-106,2.02E-185,7.04E-286,0,0,0,0,0,0,0,1.907536349,2.972759991,2.687381869,9.746716198,1.004122471,3.371350799,3.652456963,2.125441243,6.994801784,1.892088062,4.272379096,0.781526229,2.734256846,1.367935409,0.655466121,0.298780404,0.265254381,0.261965103,4.50E-15,2.17E-50,2.03E-107,3.67E-186,1.28E-286,0,0,0,0,0,0,0,8.171685995,2.014517417,6.28E-04,0.8021813,0.197757011,0.577693483,0.523305674,0.279564317,10.18683183,16.46840494,26.66558177,0.703271949,1.380563474,6.386970419,1.169512309,3.86E-04,0.845187427,0.154761496,0.352921608,0.176392136,0.065586302,7.556868708,7.47255718,15.03230903,0.76778114,0.594900046,7.157250836,1.39554607,4.50E-04,0.836787631,0.163159811,0.44316933,0.251143954,0.123110492,8.553246451,9.992118143,18.54985477,0.755181447,0.817423776,7.992489007,1.982729865,6.30E-04,0.801183878,0.198753004,0.55263739,0.506927354,0.273890493,9.975848528,15.85322761,25.83905426,0.701775817,1.333455237,7.530121853,1.536480393,4.83E-04,0.830489831,0.169456931,0.490544303,0.304421138,0.15514109,9.06708496,11.57426116,20.64693107,0.745734746,0.950106531,8.306566162,2.122200704,6.62E-04,0.796454589,0.203481975,0.596921601,0.580745195,0.312161115,10.42942847,17.63510023,28.0761915,0.694681883,1.489827912,8.078809996,1.980161217,6.20E-04,0.803095222,0.196843101,0.564637485,0.505611419,0.269679261,10.05959165,16.00358723,26.0731043,0.704642833,1.339928165 +UMLYSI0111,L,propylbenzene,CCCC1=CC=CC=C1,aromatic,C9H12,103-65-1,7668,PubChem,,235.7,0,1.0335,1.06812225,43.4114,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1701.970378,1446.800888,977.687261,648.773499,289.634857,56.556864,3.048192,4184.657049,5188.491512,6800.056683,6462.249813,4847.489258,3531.910628,2058.624615,707.6164209,93.25123329,148.486212,153.276228,258.467752,318.08816,274.113716,210.805932,166.456036,82.21824,20.155392,30.43545486,38.46263172,53.49649503,54.1472998,42.43996687,31.74308232,20.37324227,8.011080479,1.333838715,3360.161029,2978.619777,5408.105323,7125.020574,6285.269863,4832.6429,4030.154205,2091.831407,554.7529561,43.27777778,52.41666667,76.33333333,82.83333333,67.66666667,53.5,37.5,16,3,62.40808843,68.74581643,47.27695494,32.15113084,25.06890413,21.6257833,12.06811904,4.713072,1.016064,199.2693833,247.0710244,188.8904634,143.6055514,124.2945964,117.7303543,85.77602562,58.96803508,31.08374443,7.070772,7.298868,7.179659778,7.068625778,7.028556821,7.0268644,6.935668167,6.85152,6.718464,1.449307374,1.831553891,1.486013751,1.203273329,1.088204279,1.058102744,0.848885095,0.66759004,0.444612905,160.0076681,141.839037,150.2251479,158.3337905,161.1607657,161.0880967,167.9230919,174.3192839,184.917652,2.060846561,2.496031746,2.12037037,1.840740741,1.735042735,1.783333333,1.5625,1.333333333,1,0.052276906,-0.001172414,-0.019610677,-0.009912737,-0.001743149,-0.001491751,2.81E-06,0.003530592,0.004258875,622.6251891,4.05E-13,-116.1245392,-54.35616731,-84.00498584,-163.0685019,-19.76587902,59.29763706,66.70984169,1157.798126,-2.84E-14,-215.9385394,-101.0776142,-156.2108583,-303.2328426,-36.75549607,110.2664882,124.0497992,0.121968,1.88E-15,-0.022748,-0.010648,-0.016456,-0.031944,-0.003872,0.011616,0.013068,5.175896322,1.02E-14,-0.965345743,-0.451863965,-0.698335218,-1.355591894,-0.164314169,0.492942507,0.55456032,28.11555097,4.40E-14,-5.243773395,-2.454532227,-3.793367988,-7.363596682,-0.892557174,2.677671521,3.012380461,4.145502646,0.088624339,-0.143613001,-0.534013605,-0.489795918,-1.168178382,-0.364701436,0.139077853,0.399848828,0.002489376,-5.58E-05,-5.45E-04,-2.20E-04,-4.47E-05,-4.97E-05,1.17E-07,2.94E-04,0.001419625,29.64881853,1.93E-14,-3.225681646,-1.207914829,-2.153973996,-5.435616731,-0.823578293,4.941469755,22.2366139,55.13324411,-1.35E-15,-5.998292762,-2.246169204,-4.005406623,-10.10776142,-1.531479003,9.188874018,41.34993308,0.005808,8.94E-17,-6.32E-04,-2.37E-04,-4.22E-04,-0.0010648,-1.61E-04,9.68E-04,0.004356,0.246471253,4.84E-16,-0.02681516,-0.010041421,-0.017906031,-0.045186396,-0.006846424,0.041078542,0.18485344,1.33883576,2.09E-15,-0.145660372,-0.054545161,-0.097265846,-0.245453223,-0.037189882,0.223139293,1.00412682,0.197404888,0.004220207,-0.00398925,-0.011866969,-0.01255887,-0.038939279,-0.015195893,0.011589821,0.133282943,-0.022427003,-0.218826293,-0.088489248,-0.017954752,-0.019974893,4.70E-05,0.118188631,0.570273371,6.50E-16,-0.108796296,-0.040740741,-0.072649573,-0.183333333,-0.027777778,0.166666667,0.75,-2.45E-17,-0.108796296,-0.040740741,-0.072649573,-0.183333333,-0.027777778,0.166666667,0.75,1.54E-14,-0.108796296,-0.040740741,-0.072649573,-0.183333333,-0.027777778,0.166666667,0.75,1.96E-15,-0.108796296,-0.040740741,-0.072649573,-0.183333333,-0.027777778,0.166666667,0.75,1.56E-15,-0.108796296,-0.040740741,-0.072649573,-0.183333333,-0.027777778,0.166666667,0.75,0.02137843,-0.020208466,-0.060114869,-0.063619852,-0.197255903,-0.076978302,0.058710913,0.675175495,1.08103745,1.135884545,0.984899871,0.967972223,1.041064875,0.95201655,0.782663158,0.287552565,1.111111111,1.134259259,0.99382716,0.997150997,1.101851852,0.891203704,0.648148148,0,1.111111111,1.134259259,0.99382716,0.997150997,1.101851852,0.891203704,0.648148148,0,1.111111111,1.134259259,0.99382716,0.997150997,1.101851852,0.891203704,0.648148148,0,1.111111111,1.134259259,0.99382716,0.997150997,1.101851852,0.891203704,0.648148148,0,1.111111111,1.134259259,0.99382716,0.997150997,1.101851852,0.891203704,0.648148148,0,1.091257179,0.973463093,0.978302489,0.96043395,1.206126356,1.030232929,0.804084237,0,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,35.35514039,17.67757019,27.44812676,35.35514039,3.928348932,17.67757029,-3.55E-15,0.316615752,0.035179528,-1.035059742,42.45923778,4.717693086,3.373690054,42.5255533,20.93370521,33.67217425,42.48028581,4.720031757,20.93370521,-0.135802469,0.446314879,0.049590542,-0.726057512,36.50784149,4.056426832,3.237774366,0,11.85,12.15009716,-0.210044223,0.090072698,5.287292424,8.444005922,9,21,18,15,3,3,0,0,0,6,13.118484,3.782771282,3.217181512,2.666935933,2.619181914,2.057455151,1.358834672,0.941428501,0.749263518,1.986993095,1.704083039,1.231816315,1.082250302,0.859123734,0.6145015,0.310513972,0.232410074,3.795009657,3.24984449,2.700116221,2.645815032,2.119778364,1.464765672,1.053336623,0.876009767,1.953168085,1.634195773,1.142552134,1.007167592,0.756638472,0.468245882,0.150156259,0.064507002,3.850861647,3.395068557,2.855919381,2.771820215,2.380138286,1.89267219,1.517793787,1.389965584,1.862480449,1.424178606,0.888893523,0.798620231,0.429056668,0.029582283,0.396843083,0.517527975,3.804124236,3.274026461,2.725091602,2.665925019,2.165054536,1.540896411,1.134811365,0.967572151,1.932500126,1.58918854,1.086148251,0.960278991,0.689411384,0.36961218,0.041902902,0.049437603,3.879525295,3.466046858,2.937335231,2.838078588,2.497666914,2.078051399,1.721464227,1.609830081,1.836357816,1.358132532,0.814930271,0.738564276,0.316540888,0.209646882,0.594311107,0.732373528,3.840167169,3.247866331,2.760003471,2.756006987,2.202509977,1.579410962,1.254613319,1.084563756,1.913739634,1.574874618,1.035303012,0.85935819,0.618019006,0.294932158,0.088737885,0.180833734,0,0,0,5,1,1,2,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.433012702,0.65464793,0.637136847,0.219416097,0.297409508,0.242502443,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,5.800964908,3.471343774,2.23559856,1.381499797,0.933352372,0.533909221,0.197141522,0.087630571,0.644551656,0.385704864,0.223559856,0.125590891,0.077779364,0.044492435,0.03285692,0.021907643,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,2.6391,40.437,37.50463196,54.26687178,75.00926391,8.334362657,37.50463196,0.136437528,0.015159725,-1.792699594,35.3218919,3.924654656,3.208052645,81,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,3,0,0,5,0,0,0,0,0,0,0,0,1,0,2,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.01601852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.05600907,0,0.899893707,0,0,2.05600907,0,0,0,0,0,0,0,0,2.201388889,0,2.449259259,0,0,10.57157407,0,0,0,0,1.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.396597222,0,0.25461593,0,0,0.396597222,0,0,0,0,0,0,0,0,2.201388889,0,1.209166667,0,0,2.054722222,0,0,0,0,1.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.170138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.427953515,0,0.359305556,0,0,0.427953515,0,0,0,0,0,0,0,0,2.201388889,0,1.240092593,0,0,2.170138889,0,0,0,0,1.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.66666667,1.851851852,0.427953515,2.201388889,0.144097222,1.209166667,5.5813325,0.290833333,0.201388889,1.545925926,0.290833333,0.201388889,1.545925926,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.11111,0.11111,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.09633,0.56626,9.45555,4.35922,0.48436,2.44966,0.27218,4.43185,1.98218,0.22024,-0.01785,-0.00198,0.06815,0.00757,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.350852404,3.100916686,3.558518613,3.784941827,3.784941827,20.68979086,49.36790048,65.1192504,74.72889087,79.48377838,79.48377838,0.224307135,0.535219151,0.705986473,0.810168818,0.861718647,0.861718647,3.407089287,2.041465019,1.291400737,0.83379881,0.607375595,0.607375595,0.214882485,0.512730999,0.676323238,0.776128183,0.825512057,0.825512057,6.75154531,16.98424291,20.28133333,23.2313996,23.45959458,23.45959458,33.82580122,25.97128157,21.0758509,17.00634036,16.43066217,16.43066217,7.111111111,3.92,2.380165289,3,6,3,2.45,1.1391,0,2.085481947,0.333333333,0,9.563073858,4.445544946,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,4.418,10,11,12,12,6,4,2,0,0,75,2.564949357,2.970414466,3.392829132,3.820455812,4.218588165,3.49839971,3.270044111,2.784239339,0,0,5.534870605,3.365,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.222222222,3,0.333333333,0,3,6,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.04,0,0,0,0,0.111111111,0.044444444,0.0234375,0.030222222,0.030092593,0.04,0,0,0,0,0.27930787,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,0,133.0544855,4.169925001,3.663561646,4.394449155,5.153291594,5.905361848,6.673297968,7.430707083,8.200562797,8.959440144,9.729669736,78.11034197,2.944438979,0,4.077537444,0,5.433722004,0,6.886531643,0,8.379997952,8.639410824,120.0939004,5.718757161,17.70058553,1.966731726,0,0,0,94,8,3.507,38,1.234633511,2.166449137,2.958666532,3.782312058,4.72259859,5.575264779,6.787610533,7.865256659,0,0,94.43903682,111.1583113,102.4154583,107.3888626,114.0098427,74.3429148,32.63329359,7.991604142,0,0,327.3861275,432.3747292,447.5452097,507.2652264,590.8444671,508.5544907,405.1002799,244.4816279,0,0,9.042027763,15.59960057,20.97249264,26.67338378,33.26775782,38.77791975,46.52858368,52.84244372,0,0,2.382529912,3.355214785,3.704020774,4.346417111,5.212510633,4.948853681,4.57011008,3.496994611,0,0,173.2140676,322.309064,464.1200062,603.0726964,754.7526436,927.7201056,1181.368676,1454.424794,0,0,3.173893953,4.72326828,5.588418796,6.801800452,8.672114792,9.00954508,9.108103832,7.865256659,0,0,0.490292779,0.699191032,0.781621332,0.922869701,1.111688981,1.073116906,1.014351197,0.805402282,0,0,268.8050085,132.8104995,11.29096632,82.11242896,-40.56990144,-4.86674546,186.6925796,173.3804009,16.15771178,0.766006416,0.378466515,0.032175564,0.233993584,-0.115610959,-0.013868634,94.32836477,46.60552014,3.962196969,28.81468316,-14.23668585,-1.707825846,0.125544653,0.131518276,3.057812665,1.166372427,350.9174375,0,1,0,664.8026547,25.78376727,8.727655225,782.1086491,27.96620548,9.213451688,1090.582516,33.02396881,10.29325765,2.110422115,2.110422115,623.668647,553.177662,111.3475087,1.127429197,5.601101045,4.968029089,4.201869872,4.443439901,7.963231373,0.792132121,3.755217936,3.769874126,3.77738705,11.89504989,3.796372138,4.371070036,2.646083883,7.427906738,4.514606055,2.005039305,3.988160472,2.07491926,1.732791107,1.271591476,1.718141754,4.99E-13,2.93E-47,3.44E-103,8.03E-181,3.70E-280,0,0,0,0,0,0,0,0,0,0,0.315259028,3.769728571,0.299181019,4.127939628,0.961062659,1.167259603,0.280257261,1.530188432,0.510844119,0.158513821,1.112247709,0.32148526,0.082699695,0.068488127,0.012101013,3.52E-15,2.06E-49,2.42E-105,5.65E-183,2.61E-282,0,0,0,0,0,0,0,0,0,0,1.017427978,3.769738649,0.976899592,4.812217599,1.244061728,1.574726564,0.759790846,2.47879041,0.928602371,0.477113291,1.683262596,0.602325408,0.308293652,0.246277366,0.126101884,3.67E-14,2.15E-48,2.52E-104,5.89E-182,2.72E-281,0,0,0,0,0,0,0,0,0,0,3.544626116,3.76985827,3.553042159,11.10075424,3.518170663,4.087731858,2.500053209,6.976554339,4.12817055,1.871366158,3.80643173,1.940309373,1.592426015,1.173956564,1.53083337,4.45E-13,2.61E-47,3.06E-103,7.15E-181,3.30E-280,0,0,0,0,0,0,0,0,0,0,1.49944495,3.769751397,1.451710045,5.549524496,1.526145433,1.927630529,1.089979825,3.205764363,1.333998624,0.713136992,2.080003149,0.817997969,0.4961818,0.3884523,0.273910142,7.96E-14,4.66E-48,5.48E-104,1.28E-181,5.91E-281,0,0,0,0,0,0,0,0,0,0,4.534944655,3.76994072,4.620992231,15.19794117,4.945221789,5.519156461,3.188128231,9.20158846,6.1058702,2.523394821,4.66745514,2.604277482,2.297176196,1.660319128,2.505748275,7.28E-13,4.27E-47,5.01E-103,1.17E-180,5.40E-280,0,0,0,0,0,0,0,0,0,0,2.027450266,3.133978895,1.982105109,6.067799633,1.731562731,2.304326115,1.522146935,3.962951826,1.752456214,0.93657141,2.666803348,1.16671977,0.772666025,0.596597235,0.501010135,1.46E-13,8.53E-48,1.00E-103,2.34E-181,1.08E-280,0,0,0,0,0,0,0,0,0,0,5.82067991,1.379224787,0.428798298,0.762997316,0.180794139,0.550262161,0.412913493,0.307145907,7.628702995,11.11533289,22.18643977,0.644495974,1.27032156,4.63341997,0.756982164,0.17066108,0.833189588,0.136121841,0.348869054,0.124390932,0.048613373,5.561063214,4.427348126,10.58699079,0.749784382,0.52187336,5.048693385,0.974700008,0.26112591,0.803353947,0.155095396,0.414095341,0.206226152,0.113914545,6.284519304,6.493825568,14.06333542,0.70503092,0.734236038,5.784881323,1.360471187,0.421034908,0.764549977,0.17980459,0.543518918,0.401761232,0.296136106,7.566387418,10.8786072,21.75860855,0.646824965,1.241416256,5.255605949,1.083147384,0.306123886,0.790925968,0.163004876,0.448688989,0.254666672,0.156581472,6.644877219,7.633039638,16.02055642,0.686388953,0.859937133,5.935375438,1.439306783,0.453664712,0.758190138,0.183858329,0.572147888,0.449670752,0.343754749,7.828346933,11.88845922,23.59238491,0.637285206,1.365573389,5.796311733,1.362526877,0.420032466,0.76479883,0.179779662,0.545667976,0.402972355,0.294802094,7.578871076,10.90457516,21.80070746,0.647198245,1.243442425 +UMLYSI0112,L,ethylbenzene,CCC1=CC=CC=C1,aromatic,C8H10,100-41-4,7500,PubChem,,223.7,0,1.5147,2.29431609,40.0862,20.74793,6,6,18,8,10,0,8,0,0,0,0,0,0,0,0,0,1164.273608,1275.183848,1508.261841,1250.044159,670.955547,289.634857,56.556864,3.048192,0,3698.972658,4535.501378,5886.509572,5455.451468,3699.216372,2058.624615,707.6164209,93.25123329,0,127.508768,131.500448,215.738244,255.20326,211.604268,166.456036,82.21824,20.155392,0,26.75732905,33.4466431,45.80880489,45.12577094,33.08094513,20.37324227,8.011080479,1.333838715,0,2863.531369,2545.580326,4483.903124,5646.065419,4769.052691,4030.154205,2091.831407,554.7529561,0,39.02777778,47.16666667,67.16666667,70.66666667,55.66666667,37.5,16,3,0,64.68186711,70.84354711,50.2753947,34.72344886,22.3651849,12.06811904,4.713072,1.016064,0,205.498481,251.9722988,196.2169857,151.5403185,123.3072124,85.77602562,58.96803508,31.08374443,0,7.083820444,7.305580444,7.1912748,7.088979444,7.0534756,6.935668167,6.85152,6.718464,0,1.48651828,1.858146839,1.526960163,1.253493637,1.102698171,0.848885095,0.66759004,0.444612905,0,159.0850761,141.4211292,149.4634375,156.8351505,158.968423,167.9230919,174.3192839,184.917652,0,2.168209877,2.62037037,2.238888889,1.962962963,1.855555556,1.5625,1.333333333,1,0,0.04788747,-0.001151418,-0.01550177,-0.009323014,-0.012553398,0.005902742,0.004368538,0.004314585,0,538.0711511,3.13E-13,-76.22674641,-67.25889389,-264.5516493,-4.483926259,71.74282015,71.74282015,0,1000.566282,-7.11E-14,-141.7468899,-125.0707852,-491.9450886,-8.33805235,133.4088376,133.4088376,0,0.105404444,1.52E-15,-0.014932296,-0.013175556,-0.051823852,-8.78E-04,0.014053926,0.014053926,0,4.472996822,4.05E-15,-0.63367455,-0.559124603,-2.199223437,-0.037274974,0.596399576,0.596399576,0,24.29738973,4.44E-14,-3.442130211,-3.037173716,-11.94621662,-0.202478248,3.239651964,3.239651964,0,3.841049383,-0.137345679,-0.255144033,-0.172839506,-1.968106996,-0.172325103,0.309670782,0.475565844,0,0.002660415,-6.40E-05,-5.17E-04,-2.59E-04,-4.18E-04,2.46E-04,3.64E-04,0.001438195,0,29.89284173,1.74E-14,-2.540891547,-1.868302608,-8.81838831,-0.186830261,5.978568346,23.91427338,0,55.58701566,-3.95E-15,-4.724896331,-3.474188479,-16.39816962,-0.347418848,11.11740313,44.46961253,0,0.005855802,8.46E-17,-4.98E-04,-3.66E-04,-0.001727462,-3.66E-05,0.00117116,0.004684642,0,0.248499823,2.25E-16,-0.021122485,-0.015531239,-0.073307448,-0.001553124,0.049699965,0.198799859,0,1.349854985,2.47E-15,-0.114737674,-0.084365937,-0.398207221,-0.008436594,0.269970997,1.079883988,0,0.213391632,-0.007630316,-0.008504801,-0.004801097,-0.065603567,-0.007180213,0.025805898,0.158521948,0,-0.024044254,-0.194227463,-0.097342939,-0.157286208,0.092447074,0.136837597,0.540590514,0,5.81E-16,-0.085,-0.0625,-0.295,-0.00625,0.2,0.8,0,-7.10E-17,-0.085,-0.0625,-0.295,-0.00625,0.2,0.8,0,1.44E-14,-0.085,-0.0625,-0.295,-0.00625,0.2,0.8,0,9.06E-16,-0.085,-0.0625,-0.295,-0.00625,0.2,0.8,0,1.83E-15,-0.085,-0.0625,-0.295,-0.00625,0.2,0.8,0,-0.035757332,-0.039855364,-0.022498996,-0.307432704,-0.033648051,0.120932101,0.742868622,0,1.037989453,1.092800598,1.034797131,1.17255776,0.827777597,0.703998097,0.262700961,0,1.0625,1.08375,1.009375,1.21125,0.8765625,0.6375,0,0,1.0625,1.08375,1.009375,1.21125,0.8765625,0.6375,0,0,1.0625,1.08375,1.009375,1.21125,0.8765625,0.6375,0,0,1.0625,1.08375,1.009375,1.21125,0.8765625,0.6375,0,0,1.0625,1.08375,1.009375,1.21125,0.8765625,0.6375,0,0,1.106468461,0.985576537,0.942547208,1.268340699,0.945108477,0.737645641,0,0,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,25.53626968,12.76813484,19.28700653,25.53626968,3.19203371,12.76814678,-5.33E-15,0.259258271,0.032407284,-1.079944424,54.18975052,6.773718815,3.193993429,29.58989952,14.52678098,22.56708671,29.5676773,3.695959662,14.52678306,-0.088888889,0.390319451,0.048789931,-0.752631815,44.37253524,5.546566905,3.034096562,0,11.85,12.15008271,-0.210048528,0.090052896,5.447589186,8.129630703,8,18,15,12,2,3,0,0,0,6,10.93207,3.778338104,3.075106369,2.619181914,2.448940185,1.606133526,0.941428501,0.75010044,0.300101453,1.980511646,1.597047606,1.082250302,1.02499888,0.704115424,0.310513972,0.232431167,0.083923071,3.790516618,3.108532991,2.645815032,2.486516783,1.696155841,1.053336623,0.876575401,0.439305893,1.947260401,1.520375278,1.007167592,0.937107614,0.573754293,0.150156259,0.064536432,0.270913902,3.846032039,3.261037153,2.771820215,2.652915224,2.065523568,1.517793787,1.390101534,0.95638392,1.857564115,1.292203597,0.798620231,0.686507289,0.133546331,0.396843083,0.517420027,0.943918427,3.799583847,3.133513591,2.665925019,2.51424211,1.761202509,1.134811365,0.968002687,0.536342993,1.926879097,1.471135889,0.960278991,0.881838091,0.486048778,0.041902902,0.049400346,0.399277246,3.87446845,3.33728395,2.838078588,2.735176144,2.228105818,1.721464227,1.609909583,1.207644823,1.831627387,1.221738067,0.738564276,0.610498143,0.023603472,0.594311107,0.732186947,1.161353349,3.817371663,3.127691873,2.733079799,2.555167963,1.79092411,1.237867602,1.069479236,0.607031115,1.913847807,1.444075762,0.880194891,0.827340462,0.42168787,0.074082655,0.166758469,0.527472527,0,0,0,5,1,1,1,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.022680461,0.204124145,0,0,0,0.11785113,0,0,0,0.49279928,0.594861352,0.49279928,0.253933894,0.253933894,0.169289262,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,5.093858127,2.971343774,1.83915195,1.251072953,0.713712832,0.407100273,0.123928341,0.045360921,0.636732266,0.371417972,0.204350217,0.125107295,0.071371283,0.040710027,0.030982085,0.022680461,10.70913902,17.43918427,16.62745098,16.8,11.99277246,135.3693593,0.594952168,0.96884357,0.923747277,0.933333333,0.666265136,7.52051996,2.249,35.82,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,2,0,0,5,0,0,0,0,0,0,0,0,1,0,1,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.86490741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.095,0,0.645277778,0,0,2.095,0,0,0,0,0,0,0,0,2.162037037,0,1.139722222,0,0,10.45518519,0,0,0,0,1.409722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.409722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0.285972222,0,0,0.406597222,0,0,0,0,0,0,0,0,2.162037037,0,1.139722222,0,0,2.040833333,0,0,0,0,1.409722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.138888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.433055556,0,0.359305556,0,0,0.433055556,0,0,0,0,0,0,0,0,2.162037037,0,1.139722222,0,0,2.138888889,0,0,0,0,1.409722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.16666667,1.895833333,0.433055556,2.162037037,0.159722222,1.139722222,4.891390926,0.360277778,0.162037037,1.234444444,0.360277778,0.162037037,1.234444444,4,0.5,0,0,0.47778,0.7,0.43333,0.43333,0.7,0.04444,0.04444,0,0,0.71429,0,0,0.125,0.125,0,10,1.25,4,0.5,6,0.75,2,0.25,0,0,3.90009,0.48751,8.02289,4.12281,0.51535,1.94966,0.24371,3.93185,1.98218,0.24777,-0.01785,-0.00223,0.06815,0.00852,0.333333333,8,0,0,0,0,0,0,0.25,0.99107606,2.234984922,2.774401919,3.308270835,3.572431251,3.308270835,17.83936908,40.2297286,49.93923455,59.54887502,64.30376252,59.54887502,0.237672394,0.535977247,0.665336168,0.793364589,0.85671355,0.793364589,3.178848942,1.934940079,1.395523082,0.861654167,0.59749375,0.861654167,0.225638533,0.508839573,0.631648775,0.753194844,0.813336311,0.753194844,6.714395846,15.53453833,19.04285928,22.48460326,22.75083074,19.58090574,29.66949396,24.70322396,20.71495057,16.56023473,15.96274098,19.54770348,6.125,3.111111111,1.8,2,6,2,2.34,0.9982,0,2.00414513,0.5,0,7.732315986,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,3.919,9,10,10,10,4,2,0,0,0,61,2.48490665,2.917770732,3.358637767,3.752440936,4.150055169,3.270044111,2.784239339,0,0,0,5.346214275,3.423155738,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,2,0.25,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,0,115.7585009,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,106.0782503,5.893236129,15.69266546,1.961583183,0,0,0,64,7,2.938,34,1.232127986,2.167551661,2.978890941,3.844102222,4.583801355,5.496638831,6.220278543,0,0,0,96.47528551,117.8734334,108.7637669,93.02847258,58.56735403,25.49527965,6.320201097,0,0,0,331.9271515,448.7318028,470.1371881,493.6253954,408.5537546,321.0277651,193.3495485,0,0,0,9.03080713,15.63249621,21.17383392,27.1566162,31.8511339,37.64554702,41.79071746,0,0,0,2.40593799,3.446635947,3.858917542,4.357022195,4.003514552,3.644726325,2.765616112,0,0,0,172.4187124,320.849613,462.9208533,608.0778515,765.0916594,959.3477307,1150.239303,0,0,0,3.327001279,4.994226217,5.987842291,7.250041466,7.308954228,7.291815075,6.220278543,0,0,0,0.494734492,0.71690508,0.812876677,0.928724972,0.869167433,0.809872067,0.636956523,0,0,0,240.0242237,105.9257391,10.65412288,81.92373705,-36.1539859,-4.781169785,158.1004867,142.079725,15.43529266,0.745537332,0.329015096,0.033092686,0.254462668,-0.112297608,-0.014850753,77.27530936,34.10257571,3.430073134,26.37518008,-11.63970204,-1.539287863,0.140554929,0.139904669,3.535345639,1.891919658,321.9479608,0,1,0,602.7210856,24.55037852,8.447057718,700.6530078,26.46985092,8.881800151,969.535829,31.1373703,9.897403764,1.77494952,1.77494952,392.1575765,320.6629682,107.029726,1.22295873,3.664006172,2.996017838,3.753839471,3.785524729,6.661528955,0.759737271,3.197416829,2.821356819,3.479769094,8.057634602,4.012685415,3.507567048,3.561349468,3.91434869,3.440288179,2.690364695,1.746453417,0.549171909,1.80E-05,4.16E-31,1.96E-78,1.86E-147,3.51E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0.268446646,2.821253369,0.277055038,3.116040792,0.963957297,1.196584823,0.262529379,0.837052438,0.540023393,0.186568429,0.07852217,0.003867863,1.27E-07,2.93E-33,1.38E-80,1.31E-149,2.47E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0.866311904,2.821260555,0.903595604,3.597640697,1.263460585,1.602435804,0.806647968,1.371286835,0.950044058,0.628105668,0.298316298,0.040306111,1.32E-06,3.06E-32,1.44E-79,1.37E-148,2.58E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,3.018107373,2.821345557,3.274078191,7.568648648,3.711846,3.342787833,3.31367691,3.692737501,3.198355708,2.512482794,1.601656158,0.489302284,1.61E-05,3.71E-31,1.75E-78,1.66E-147,3.13E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,1.27672766,2.821269624,1.341772794,4.084746305,1.564908318,1.900597874,1.218542626,1.765905043,1.285545566,0.951855291,0.485026368,0.087550259,2.87E-06,6.64E-32,3.13E-79,2.97E-148,5.59E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,3.861319036,2.821404109,4.252276169,10.07984664,5.256222143,4.144128596,4.530282411,4.772595489,4.409154262,3.376914221,2.331041178,0.800915617,2.63E-05,6.07E-31,2.86E-78,2.71E-147,5.12E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,1.701678481,2.396487163,1.769637182,4.383235991,2.061906597,2.347466492,1.728822478,2.163383445,1.757908138,1.35391928,0.72556628,0.1527946,5.01E-06,1.16E-31,5.46E-79,5.18E-148,9.76E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,4.097047474,1.517507408,0.403595622,0.680781823,0.252155111,0.572840039,0.438784969,0.282292953,6.018150504,8.483309663,17.01073518,0.521172735,1.293917961,2.958917988,0.841450761,0.169651946,0.745315507,0.211951228,0.298859634,0.13508198,0.049917895,3.970020695,3.134523747,7.526941108,0.617973261,0.483859508,3.349355568,1.073429626,0.249925534,0.716790694,0.229723107,0.382890143,0.219728722,0.108302674,4.672710729,4.700664449,10.27193183,0.575186042,0.710921538,4.061726859,1.496533368,0.396337575,0.682116071,0.251324005,0.563008438,0.426754904,0.272236872,5.954597802,8.281457156,16.64519678,0.523174107,1.262000214,3.546919407,1.190787799,0.290536081,0.705399322,0.236819846,0.429372935,0.270341065,0.146338846,5.028243287,5.600103238,11.85546295,0.558098984,0.846052846,4.210646571,1.584962358,0.426938438,0.676675696,0.254712783,0.605037913,0.478606271,0.315869851,6.222547367,9.148084542,18.21989793,0.515013544,1.399514036,4.063590645,1.497373563,0.395527447,0.682212094,0.251385152,0.563497625,0.427196243,0.271139614,5.956491655,8.284227176,16.64738991,0.523318141,1.261833482 +UMLYSI0113,L,"1,3-dimethylbenzene",CC1=CC(=CC=C1)C,aromatic,C8H10,108-38-3,7929,PubChem,,221.6,0,2.2962,5.27253444,39.5198,20.74793,6,6,18,8,10,0,8,0,0,0,0,0,0,0,0,0,1164.273608,1275.183848,1618.236826,1302.451087,665.960907,176.61168,15.24096,0,0,3698.972658,4535.501378,6027.984113,5780.464594,3802.065966,1823.89884,466.2561665,0,0,127.508768,131.500448,215.362792,237.043708,251.515884,146.676096,100.77696,0,0,26.75732905,33.4466431,46.14629777,47.13658925,35.07969115,18.70191067,6.669193573,0,0,2863.531369,2545.580326,4521.165141,4932.336942,5910.353707,3438.139232,2773.76478,0,0,39.55555556,48,68.11111111,74.66666667,60.33333333,35,15,0,0,64.68186711,70.84354711,53.94122753,39.46821476,18.49891408,8.41008,1.016064,0,0,205.498481,251.9722988,200.9328038,175.1655938,105.6129435,86.85232572,31.08374443,0,0,7.083820444,7.305580444,7.178759733,7.183142667,6.986552333,6.984576,6.718464,0,0,1.48651828,1.858146839,1.538209926,1.428381492,0.974435865,0.890567175,0.444612905,0,0,159.0850761,141.4211292,150.7055047,149.4647558,164.1764919,163.7209158,184.917652,0,0,2.197530864,2.666666667,2.27037037,2.262626263,1.675925926,1.666666667,1,0,0,0.042001109,0.001537727,-0.003264416,-0.030893485,0.001555872,-0.007196137,0.017259884,0,0,538.0711511,3.27E-13,98.6463777,-408.0372896,-67.25889389,-251.0998705,358.7141007,0,0,1000.566282,-9.95E-14,183.4371517,-758.7627638,-125.0707852,-466.9309316,667.044188,0,0,0.105404444,1.52E-15,0.019324148,-0.079931704,-0.013175556,-0.049188741,0.07026963,0,0,4.472996822,3.72E-15,0.820049417,-3.39202259,-0.559124603,-2.087398517,2.981997881,0,0,24.29738973,4.40E-14,4.45452145,-18.42552054,-3.037173716,-11.33878187,16.19825982,0,0,3.901234568,-0.790123457,1.806584362,-3.522633745,0.283950617,-2.218106996,2.489711934,0,0,0.002333395,8.54E-05,-1.09E-04,-9.36E-04,4.32E-05,-3.43E-04,0.001150659,0,0,29.89284173,1.82E-14,3.28821259,-12.36476635,-1.868302608,-11.95713669,23.91427338,0,0,55.58701566,-5.53E-15,6.114571723,-22.99281102,-3.474188479,-22.23480627,44.46961253,0,0,0.005855802,8.46E-17,6.44E-04,-0.002422173,-3.66E-04,-0.002342321,0.004684642,0,0,0.248499823,2.07E-16,0.027334981,-0.102788563,-0.015531239,-0.099399929,0.198799859,0,0,1.349854985,2.44E-15,0.148484048,-0.558349107,-0.084365937,-0.539941994,1.079883988,0,0,0.216735254,-0.043895748,0.060219479,-0.106746477,0.007887517,-0.105624143,0.165980796,0,0,0.036611584,-0.046633285,-0.401203496,0.018521801,-0.146856051,0.493126509,0,0,6.07E-16,0.11,-0.413636364,-0.0625,-0.4,0.8,0,0,-9.94E-17,0.11,-0.413636364,-0.0625,-0.4,0.8,0,0,1.44E-14,0.11,-0.413636364,-0.0625,-0.4,0.8,0,0,8.31E-16,0.11,-0.413636364,-0.0625,-0.4,0.8,0,0,1.81E-15,0.11,-0.413636364,-0.0625,-0.4,0.8,0,0,-0.202531646,0.277848101,-0.492520138,0.036392405,-0.487341772,0.765822785,0,0,0.967589144,0.998047666,1.479359411,0.977165594,0.962826089,0.09505304,0,0,1.0625,0.8925,1.390909091,0.95625,1.275,0,0,0,1.0625,0.8925,1.390909091,0.95625,1.275,0,0,0,1.0625,0.8925,1.390909091,0.95625,1.275,0,0,0,1.0625,0.8925,1.390909091,0.95625,1.275,0,0,0,1.0625,0.8925,1.390909091,0.95625,1.275,0,0,0,1.291139241,0.62943038,1.540563867,0.820411392,1.452531646,0,0,0,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,23.52060395,11.76030198,16.67515619,23.52060395,2.940075494,11.76033396,1.78E-15,4.44E-16,5.55E-17,-28.28040497,4000011.018,500001.3773,12.16144614,25.79125018,12.71880932,18.0863666,25.77875018,3.222343772,12.71882167,-0.05,0,0,0,4000010.951,500001.3688,12.16144613,0,11.85,12.15008271,-0.21004645,0.090053194,5.924375,7.816266735,8,18,15,12,2,3,0,0,0,6,10.93207,3.800632445,2.978981869,2.762974573,2.137605186,2.024738679,0.860890511,0.441365589,0.253203243,1.989439978,1.493916978,1.314765021,0.90192186,0.783323018,0.273486817,0.083923071,0.083923071,3.811772059,3.0085188,2.794146532,2.199274719,2.082600027,0.977923291,0.545672476,0.401991169,1.957882549,1.412300855,1.22747324,0.806161123,0.682662645,0.10993525,0.270913902,0.270913902,3.862952392,3.149926772,2.944768167,2.451527919,2.324156623,1.460601384,0.963720007,0.953535121,1.873665992,1.180117151,0.977203845,0.498101568,0.369849397,0.45126013,0.943918427,0.943918427,3.820086262,3.030937363,2.817868956,2.243741401,2.124567978,1.062971497,0.621114151,0.505640746,1.938619327,1.360731895,1.172002931,0.7432712,0.617333107,6.94E-04,0.399277246,0.399277246,3.889420246,3.224500232,3.025008359,2.563088883,2.434292052,1.670619542,1.207644823,1.207644823,1.849609417,1.11246322,0.904639601,0.390633335,0.264988018,0.655413836,1.133948601,1.171910778,3.816589501,3.042359773,2.866202961,2.307372677,2.181134851,1.156292388,0.647919901,0.582515195,1.934675418,1.319153661,1.099544559,0.674207407,0.552260864,0.109889444,0.52173913,0.52173913,0,0,0,4,2,2,0,0,0,0,0,0,0.083333333,0.166666667,0,0,0,0.027777778,0.055555556,0.577350269,0,0,0,0.333333333,0,0,0,0.741581624,1.093412989,1.020220057,0.359116756,0.470227868,0.36655979,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,5.309401077,2.821367205,2.158154862,1.173575314,0.807015525,0.359116756,0.159223634,0,0.663675135,0.352670901,0.215815486,0.117357531,0.073365048,0.035911676,0.031844727,0,10.70913902,17.43918427,16.62745098,16.8,11.99277246,135.3693593,0.594952168,0.96884357,0.923747277,0.933333333,0.666265136,7.52051996,1.74264,33.722,30.91733718,41.28122386,61.83467437,7.729334296,30.91733718,0,0,0,4000010.293,500001.2866,12.16144599,54,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,4,0,0,0,0,0,0,0,0,2,0,0,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.637638889,0,0,0,0,1.637638889,0,0,0,0,0,0,0,0,4.208333333,0,0,0,0,8.449074074,0,0,0,0,2.675925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.337962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.394444444,0,0,0,0,0.394444444,0,0,0,0,0,0,0,0,2.104166667,0,0,0,0,2.074074074,0,0,0,0,1.337962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.41875,0,0,0,0,0.41875,0,0,0,0,0,0,0,0,2.104166667,0,0,0,0,2.166666667,0,0,0,0,1.337962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.33333333,1.916666667,0.41875,2.166666667,0.171875,1.337962963,4.879458333,0.328703704,0.166666667,1.314814815,0.328703704,0.166666667,1.314814815,4,0.5,0,0,0.47778,0.7,0.43333,0.43333,0.7,0.04444,0.04444,0,0,0.71429,0,0,0.25,0.25,0,10,1.25,4,0.5,6,0.75,2,0.25,0,0,4.13545,0.51693,8.42549,4.29004,0.53626,1.7065,0.21331,3.78768,2.08118,0.26015,0.12632,0.01579,0.21232,0.02654,0.333333333,8,0,0,0,0,0,0,0.25,0.99107606,2.197159723,2.530493057,2.974937501,2.974937501,2.86382639,17.83936908,39.54887502,45.54887502,53.54887502,53.54887502,51.54887502,0.237672394,0.526906293,0.606843782,0.7134271,0.7134271,0.68678127,3.178848942,1.972765278,1.639431945,1.1949875,1.1949875,1.306098611,0.225638533,0.500227901,0.576117984,0.677304761,0.677304761,0.652008066,6.714395846,15.2580338,19.2580338,20.92730881,19.70595603,19.59397548,29.66949396,25.1248139,20.55839723,18.35071112,19.55622501,19.79732779,6.125,2.52,1.8,0,6,0,2.34,0.9982,0.25,3.039342743,2.309401077,0,3.532775529,5.111544834,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,3.896,10,10,11,10,5,0,0,0,0,62,2.48490665,3.020424886,3.409496184,3.852803646,4.201890189,3.595598464,0,0,0,0,5.375856944,3.469758065,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,2,0.666666667,0.5,0.222222222,0,0,0,0,0,0,0.25,0.066666667,0.071428571,0.074074074,0,0,0,0,0,0,0.462169312,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,2.22E-16,2.78E-17,-28.83492271,4000010.414,500001.3017,12.16144602,0,115.7585009,4,3.610917913,4.343805422,5.141663557,5.888877958,6.690842277,7.44132039,8.24407127,8.995288991,9.798182591,76.15497037,2.833213344,0,4.043051268,0,5.451038454,0,6.947937069,0,8.479906607,8.727292029,106.0782503,5.893236129,15.53295821,1.941619777,0,0,0,61,7,2.866,36,1.231350208,2.153884096,3.048006828,3.801921238,5.033060421,5.75809861,0,0,0,0,96.27497539,127.0230877,127.107041,80.01405079,42.56457584,5.850596706,0,0,0,0,331.391896,461.8665856,551.8270398,436.9629257,438.9140267,178.9832656,0,0,0,0,9.024660361,15.52054458,21.92874492,26.67397594,35.16229157,38.68557822,0,0,0,0,2.402651941,3.484889382,4.45845756,3.944669592,4.496520382,2.560124949,0,0,0,0,172.3376467,320.5193794,453.1807557,615.6944526,823.3403233,1064.774075,0,0,0,0,3.384809093,5.095897651,7.009292642,6.680793934,8.409724681,5.75809861,0,0,0,0,0.494081992,0.722837911,0.93508506,0.844808092,0.980014389,0.589629298,0,0,0,0,240.7763734,99.83006889,9.720575199,83.62196423,-34.67111965,-4.403997454,157.1544091,134.5011885,14.12457265,0.742224437,0.307739151,0.029964935,0.257775563,-0.106878229,-0.013575894,78.10745525,32.38470839,3.153338435,27.12682618,-11.24725358,-1.428649453,0.150215797,0.147755314,2.884434414,2.109604246,324.3983376,0,1,0,604.8962865,24.59463938,8.457207237,702.6158965,26.50690281,8.890086578,982.3420843,31.34233693,9.940790395,1.421498417,1.334421864,399.4980654,275.8168409,130.423858,1.448417958,3.06307505,2.114772904,3.795090543,3.785389562,6.367568618,0.682143545,3.1157585,2.872001084,3.327386987,8.027448053,0.160880265,4.018613761,4.41103667,4.071777981,1.971544996,4.031685661,0.765237922,0.345905161,8.48E-18,4.01E-56,3.66E-116,6.45E-198,2.19E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,0.261593628,2.871879065,0.254838737,3.746844774,0.01395851,0.197939448,0.412570178,0.296707105,0.998920709,0.105862948,0.005389794,0.002436238,5.98E-20,2.83E-58,2.58E-118,4.54E-200,1.54E-303,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844189527,2.871887516,0.838090992,4.297649877,0.043947373,0.552512531,1.225605229,0.986851732,1.155123096,0.494931795,0.056164547,0.025387482,6.23E-19,2.95E-57,2.69E-117,4.73E-199,1.61E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,2.941028572,2.871987793,3.123750221,7.651140998,0.151885467,3.634254936,4.165143577,3.812218148,1.897026341,3.645500276,0.681813322,0.308195271,7.56E-18,3.58E-56,3.26E-116,5.74E-198,1.95E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,1.244123348,2.871898203,1.25151624,4.771653016,0.064534085,0.922198585,1.784659803,1.484495067,1.274920078,0.884428422,0.121996505,0.055145003,1.35E-18,6.40E-57,5.84E-117,1.03E-198,3.49E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,3.762704777,2.872056906,4.099004012,9.550467799,0.194184354,5.612557382,5.322728253,5.065117114,2.264457356,5.62715728,1.116027066,0.504470169,1.24E-17,5.85E-56,5.34E-116,9.40E-198,3.19E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,1.696338999,2.686835266,1.514815456,5.587864036,0.087758258,1.383638377,2.335247233,2.025209977,1.498346475,1.371763877,0.2083073,0.094159439,2.31E-18,1.09E-56,9.97E-117,1.76E-198,5.96E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,4.152900762,1.992380639,0.18582572,0.655951745,0.314697035,0.589257875,0.45351132,0.222234263,6.331107121,9.416110416,17.2847691,0.483927617,1.265003458,2.568142385,1.222708234,0.03176021,0.671829412,0.319862076,0.2253605,0.170816521,0.006491846,3.822610829,3.260487051,7.182827761,0.507744118,0.402668867,3.111844286,1.486784735,0.084618344,0.664462934,0.31746876,0.330868612,0.252560869,0.046081815,4.683247364,5.015770952,10.09051715,0.496694402,0.629511296,4.103725219,1.968499074,0.181045126,0.656252745,0.31479518,0.575386083,0.442705644,0.21094687,6.253269419,9.177525905,16.89331031,0.484379117,1.229038598,3.386940511,1.62039151,0.111362403,0.661680544,0.316563439,0.391948137,0.29998696,0.079813684,5.118694425,6.045798177,11.77566836,0.492520816,0.77174878,4.31105839,2.069187744,0.201200966,0.65503199,0.314397079,0.63499245,0.489147434,0.260530971,6.5814471,10.20410087,18.58033889,0.482547985,1.384670855,4.102520715,1.969487289,0.180718805,0.656117057,0.314980544,0.57504854,0.443150533,0.210187127,6.252726809,9.177188431,16.89009832,0.484175586,1.228386199 +UMLYSI0114,L,phenylacetylene,C#CC1=CC=CC=C1,aromatic,C8H6,536-74-3,10821,PubChem,,216.3,0,1.9727,3.89154529,37.4999,18.080758,6,6,14,8,6,0,8,0,0,0,0,0,0,0,0,0,1160.209352,1226.755496,1431.555057,1171.305247,570.034587,208.863817,26.246304,1.016064,0,3574.637681,4076.554912,5073.754896,4580.529303,2656.988463,1121.534961,291.6407216,31.08374443,0,100.634912,103.02992,146.158596,172.186684,127.789356,70.002532,27.672192,6.718464,0,24.97887743,28.99246586,37.34908741,35.77682765,22.39413903,10.13507317,3.11631443,0.444612905,0,2123.860761,1933.090135,2825.49723,3617.824221,2804.401701,1632.077703,676.0803995,184.917652,0,51.02777778,50.83333333,61.16666667,67.33333333,51.66666667,26.5,8,1,0,82.87209657,87.62539257,71.57775285,48.80438529,31.66858817,20.8863817,6.561576,1.016064,0,255.3312629,291.1824937,253.6877448,190.8553876,147.6104702,112.1534961,72.9101804,31.08374443,0,7.188208,7.35928,7.3079298,7.174445167,7.099408667,7.0002532,6.918048,6.718464,0,1.784205531,2.070890419,1.867454371,1.490701152,1.244118835,1.013507317,0.779078607,0.444612905,0,151.7043401,138.0778668,141.2748615,150.7426759,155.8000945,163.2077703,169.0200999,184.917652,0,3.64484127,3.630952381,3.058333333,2.805555556,2.87037037,2.65,2,1,0,0.068982637,-0.014194271,-0.02191921,0.008987517,-0.012650579,-0.00298973,6.03E-04,0.00767188,0,415.0834594,1.78E-13,-126.0074788,-71.65131145,-101.30013,32.11955341,19.76587902,39.53175804,0,771.8654175,2.84E-14,-234.3162875,-133.2386733,-188.3719174,59.72768112,36.75549607,73.51099214,0,0.081312,7.03E-16,-0.024684,-0.014036,-0.019844,0.006292,0.003872,0.007744,0,3.450597548,1.72E-15,-1.047502827,-0.595638862,-0.842110116,0.267010525,0.164314169,0.328628338,0,18.74370065,2.80E-14,-5.690051982,-3.235519754,-4.574355515,1.450405407,0.892557174,1.785114347,0,9.311507937,-0.66468254,-1.510487528,1.327097506,-2.009637188,-1.530045351,-0.795351474,0.527352608,0,0.004927331,-0.001013877,-0.00109596,3.74E-04,-7.03E-04,-2.99E-04,1.51E-04,0.00767188,0,29.64881853,1.27E-14,-6.300373938,-2.98547131,-5.627784999,3.211955341,4.941469755,39.53175804,0,55.13324411,2.03E-15,-11.71581437,-5.551611386,-10.46510652,5.972768112,9.188874018,73.51099214,0,0.005808,5.02E-17,-0.0012342,-5.85E-04,-0.001102444,6.29E-04,9.68E-04,0.007744,0,0.246471253,1.23E-16,-0.052375141,-0.024818286,-0.046783895,0.026701052,0.041078542,0.328628338,0,1.33883576,2.00E-15,-0.284502599,-0.134813323,-0.254130862,0.145040541,0.223139293,1.785114347,0,0.66510771,-0.047477324,-0.075524376,0.055295729,-0.11164651,-0.153004535,-0.198837868,0.527352608,0,-0.205765852,-0.222424762,0.076000552,-0.142635015,-0.060676452,0.030598412,1.557005065,0,4.28E-16,-0.2125,-0.100694444,-0.189814815,0.108333333,0.166666667,1.333333333,0,3.68E-17,-0.2125,-0.100694444,-0.189814815,0.108333333,0.166666667,1.333333333,0,8.64E-15,-0.2125,-0.100694444,-0.189814815,0.108333333,0.166666667,1.333333333,0,4.99E-16,-0.2125,-0.100694444,-0.189814815,0.108333333,0.166666667,1.333333333,0,1.49E-15,-0.2125,-0.100694444,-0.189814815,0.108333333,0.166666667,1.333333333,0,-0.071382911,-0.113552099,0.083138007,-0.167862301,-0.230044747,-0.298955892,0.792883017,0,0.99367217,0.900993529,0.685848381,1.138265021,1.4868597,1.72312394,0.358494745,0,0.8125,1.042708333,1.026909722,1.158564815,0.947916667,0.947916667,0,0,0.8125,1.042708333,1.026909722,1.158564815,0.947916667,0.947916667,0,0,0.8125,1.042708333,1.026909722,1.158564815,0.947916667,0.947916667,0,0,0.8125,1.042708333,1.026909722,1.158564815,0.947916667,0.947916667,0,0,0.8125,1.042708333,1.026909722,1.158564815,0.947916667,0.947916667,0,0,0.855955679,0.60401662,0.652816251,1.442443829,1.832409972,1.745152355,0,0,22.64713885,11.32356942,17.23377663,22.64713885,2.830892356,11.3236238,0,0.100551479,0.012568935,-1.837668362,47.12306365,5.890382957,3.082210044,22.64713885,11.32356942,17.23377663,22.64713885,2.830892356,11.3236238,0,0.100551479,0.012568935,-1.837668362,47.12306365,5.890382957,3.082210044,22.64713885,11.32356942,17.23377663,22.64713885,2.830892356,11.3236238,0,0.100551479,0.012568935,-1.837668362,47.12306365,5.890382957,3.082210044,22.64713885,11.32356942,17.23377663,22.64713885,2.830892356,11.3236238,0,0.100551479,0.012568935,-1.837668362,47.12306365,5.890382957,3.082210044,22.64713885,11.32356942,17.23377663,22.64713885,2.830892356,11.3236238,0,0.100551479,0.012568935,-1.837668362,47.12306365,5.890382957,3.082210044,22.64713885,11.32356942,17.23377663,22.64713885,2.830892356,11.3236238,0,0.100551479,0.012568935,-1.837668362,47.12306365,5.890382957,3.082210044,30.28347788,14.75735134,22.50002621,30.15457163,3.769321453,14.75735308,-0.515625,0.053110029,0.006638754,-2.348311592,47.06042954,5.882553693,3.081146009,0,11.85,12.15008271,-0.20380096,0.096635358,4.716590404,7.871631132,8,14,10,7,1,3,0,1,0,7,6.559242,3.788141233,3.112061599,2.619181914,2.365858986,0.941428501,0.839016035,0.54708924,0.063253658,1.954692477,1.336733712,1.082250302,0.851401855,0.310513972,0.236900424,0.063253658,0.54708924,3.798015719,3.124404431,2.645815032,2.39080953,1.053336623,0.945402981,0.681323825,0.206013925,1.927035525,1.297252152,1.007167592,0.767493278,0.150156259,0.070533848,0.206013925,0.681323825,3.84334155,3.182755204,2.771820215,2.514949813,1.517793787,1.412947798,1.186613841,0.72706059,1.852816428,1.195295179,0.798620231,0.542536266,0.396843083,0.498652787,0.72706059,1.186613841,3.805384199,3.133701923,2.665925019,2.409959146,1.134811365,1.024828701,0.775434324,0.305017896,1.910107365,1.273454059,0.960278991,0.71566818,0.041902902,0.042012397,0.305017896,0.775434324,3.866737949,3.21392649,2.838078588,2.583806014,1.721464227,1.624308005,1.390132723,0.929310657,1.831533813,1.167290574,0.738564276,0.481260766,0.594311107,0.702442608,0.929310657,1.390132723,3.771153525,3.376914532,2.574133624,2.39584162,1.122334516,1.030250039,0.819510283,0.318879647,2.010777469,1.159775589,1.02597847,0.603521103,0.028287835,0.061524516,0.318879647,0.819510283,1,1,0,5,1,0,0,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.016037507,0.204124145,0,0,0,0.083333333,0,0,0,0.49279928,0.594861352,0.49279928,0.144337567,0.138888889,0.096225045,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,4.464101615,2.449358737,1.510362971,0.940455735,0.534377897,0.303561201,0.06415003,0.018518519,0.558012702,0.306169842,0.167818108,0.094045574,0.05343779,0.03035612,0.016037507,0.009259259,9.625483411,13.66351056,13.17647059,13.28,10.39566347,102.7982383,0.687534529,0.97596504,0.941176471,0.948571429,0.742547391,7.342731309,1.74749,33.732,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,1,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,5,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,1,0,5,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.614027778,0,0,18.16666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.614027778,0,0,2.405,0,0,0,0,2.405,0,0,0,0,0,0,0,0,0,0,0,5.099814815,0,9.602407407,0,0,2.526944444,0,0.9375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.614027778,0,0,0.9375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.614027778,0,0,0.466944444,0,0,0,0,0.466944444,0,0,0,0,0,0,0,0,0,0,0,5.099814815,0,1.902777778,0,0,2.526944444,0,0.9375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.614027778,0,0,5.099814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.614027778,0,0,0.493402778,0,0,0,0,0.493402778,0,0,0,0,0,0,0,0,0,0,0,5.099814815,0,1.945277778,0,0,2.526944444,0,0.9375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.16666667,2.270833333,0.614027778,5.099814815,0.340277778,0.9375,4.001765093,0.729166667,1.099814815,2.253518519,0.729166667,1.099814815,2.253518519,4,0.5,0,0,0.52857,0.7,0.43333,0.43333,0.7,0.09524,0.09524,0,0,0.71429,0,0,0.125,0.125,0,13,1.625,4,0.5,9,1.125,5,0.625,0,0,2.45172,0.30646,8.02289,5.57118,0.6964,1.24256,0.15532,3.93185,2.68929,0.33616,-0.01785,-0.00223,0.06815,0.00852,0.428571429,8,0,0,0,0,0,0,0,0.985228136,2.148834854,2.495602924,3.182005815,3.521640636,3.182005815,13.7931939,30.08368796,34.93844093,44.54808141,49.30296891,44.54808141,0.258769712,0.564390475,0.655468948,0.835752348,0.924957276,0.835752348,2.822126786,1.658520068,1.311751998,0.625349107,0.285714286,0.625349107,0.231931485,0.505854878,0.587487172,0.749072531,0.829025595,0.749072531,6.0641299,16.96519901,21.12641584,25.55151524,25.89380772,21.81818986,25.28788695,23.73495988,21.20436593,17.10568584,16.49286676,20.1697812,6.125,3.111111111,1.8,2,8,2,2.34,0.9122,0,2.00414513,0.5,0,7.732315986,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0.085,0.154,0.156,0.662,0.808,3.431,9,10,10,10,4,2,0,0,0,61,2.63905733,3.020424886,3.548179572,3.944006051,4.342993404,3.840795496,3.840795496,0,0,0,5.679959276,4.785860656,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,0,110.4855835,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,102.0469502,7.289067871,15.69266546,1.961583183,0,0,0,64,7,2.498,34,1.229164553,2.234545885,3.076855126,4.102303061,5.1181186,6.410999529,7.397908995,0,0,0,115.0689415,166.8160428,153.5036042,137.1587705,110.372409,41.46569408,7.516749005,0,0,0,375.114393,582.933724,601.0966356,620.5787306,594.0681672,462.8974226,229.9547125,0,0,0,9.069326408,16.35189476,22.12358089,29.13519716,35.91443215,44.32998797,49.70258526,0,0,0,2.638804823,4.260032293,4.684453151,5.178289754,5.34051721,4.958450696,3.289205808,0,0,0,168.2535869,314.3160737,460.0432024,638.6648698,828.50785,1085.30945,1368.003961,0,0,0,4.536311168,6.983434922,8.891944414,11.97106397,13.97559646,12.71654148,7.397908995,0,0,0,0.539484525,0.877349738,0.977048985,1.093671082,1.143036075,1.090112233,0.757545881,0,0,0,191.5974893,88.29723495,14.82149921,149.1924025,-68.7549543,-11.51108767,42.40508674,157.0521893,26.33258688,0.562215881,0.259095816,0.043491605,0.437784119,-0.201751742,-0.033777668,65.29448763,30.09080514,5.051017113,50.84326271,-23.43099344,-3.92286232,0.268420649,0.248007188,13.81182183,11.51204963,340.7898918,0,1,0,657.9405354,25.65035156,8.697522241,717.5374372,26.78688928,8.952579543,1028.20263,32.06559885,10.09313859,2.054512025,2.054512025,385.336341,300.3477038,84.98939268,1.282967494,4.533934516,3.533943406,3.632380917,3.785524729,7.397908995,0.954262493,2.258999133,0.904218919,2.571962602,5.683986886,0.00111219,4.706840429,1.135134687,2.549930147,1.224683431,1.987695597,0.002006808,1.906239914,1.34E-07,0.352657719,1.80E-16,1.78E-53,3.39E-112,1.24E-192,8.80E-295,0,0,0,0,0,0,0,0,0,0,0,0.199976552,0.904218315,0.216374137,1.738605964,5.51E-04,2.946837729,1.008128656,0.299230696,0.052027464,0.166989117,1.68E-04,0.016629867,9.40E-10,0.002483797,1.27E-18,1.25E-55,2.39E-114,8.76E-195,6.20E-297,0,0,0,0,0,0,0,0,0,0,0,0.620266958,0.904218438,0.697199955,2.170213945,6.66E-04,3.306091802,1.030763955,0.749569209,0.179335561,0.538634126,5.44E-04,0.148139082,9.80E-09,0.025883081,1.32E-17,1.31E-54,2.49E-113,9.12E-194,6.46E-296,0,0,0,0,0,0,0,0,0,0,0,2.132947246,0.904218882,2.427755162,5.310240773,0.001077832,4.599094325,1.12619581,2.408932716,1.113252577,1.876233251,0.001894263,1.700631631,1.19E-07,0.314211678,1.61E-16,1.59E-53,3.02E-112,1.11E-192,7.84E-295,0,0,0,0,0,0,0,0,0,0,0,0.908783145,0.904218523,1.027271808,2.577466985,7.44E-04,3.55270846,1.047279051,1.061407697,0.30000032,0.793756773,8.01E-04,0.31389342,2.13E-08,0.056221511,2.88E-17,2.84E-54,5.40E-113,1.98E-193,1.40E-295,0,0,0,0,0,0,0,0,0,0,0,2.725712534,0.904219056,3.105897848,7.21791813,0.001239402,5.105775756,1.169552576,3.07562627,1.682271896,2.400390495,0.002423511,2.769620998,1.95E-07,0.51431814,2.63E-16,2.60E-53,4.94E-112,1.81E-192,1.28E-294,0,0,0,0,0,0,0,0,0,0,0,1.066076271,0.659114986,0.968371044,2.902317661,6.07E-04,4.173502301,1.015836164,1.177276949,0.369130411,1.538744159,8.07E-04,0.387609632,2.59E-08,0.068388468,3.50E-17,3.45E-54,6.57E-113,2.41E-193,1.71E-295,0,0,0,0,0,0,0,0,0,0,0,4.131379977,1.695403245,1.19E-05,0.709031281,0.290966685,0.395695136,0.445626682,0.328894583,5.826795079,7.004424109,12.83130224,0.563546921,1.170216401,2.964228292,0.832774953,3.70E-06,0.780674972,0.219324053,0.203720918,0.107521608,0.030687452,3.797006947,2.468549132,6.265565217,0.671012458,0.341929978,3.310737646,1.088884581,6.14E-06,0.752503933,0.247494673,0.254124579,0.183822956,0.08589774,4.399628362,3.605038167,8.004688647,0.6287559,0.523845275,4.086910637,1.662537851,1.15E-05,0.710833819,0.289164172,0.387223663,0.42851778,0.311694819,5.749460036,6.794710023,12.54424852,0.566250729,1.127436262,3.505312859,1.232694279,7.50E-06,0.73982736,0.260171058,0.284867768,0.235583176,0.129246191,4.738014635,4.321014626,9.059061652,0.60974104,0.649697135,4.278941408,1.804458937,1.29E-05,0.703378391,0.296619491,0.424462573,0.504797494,0.389261743,6.083413227,7.721252431,13.80476512,0.555067587,1.31852181,4.142544995,1.648059801,1.15E-05,0.715389313,0.284608706,0.397835079,0.421085363,0.306715323,5.790616269,6.827228315,12.61792291,0.57308397,1.125635765 +UMLYSI0115,L,"1,4-dimethylbenzene",CC1=CC=C(C=C1)C,aromatic,C8H10,106-42-3,7809,PubChem,,211.1,0,2.2962,5.27253444,39.5198,20.74793,6,6,18,8,10,0,8,0,0,0,0,0,0,0,0,0,1164.273608,1275.183848,1618.236826,1302.451087,544.894898,231.131545,72.642528,9.144576,0,3698.972658,4535.501378,6027.984113,5780.464594,3576.938553,1547.109022,688.4196982,279.7536999,0,127.508768,131.500448,215.362792,237.043708,251.492168,144.304804,42.705792,60.466176,0,26.75732905,33.4466431,46.14629777,47.13658925,34.07326687,15.69474653,6.68126586,4.001516144,0,2863.531369,2545.580326,4521.165141,4932.336942,5904.886795,3634.376771,918.7352863,1664.258868,0,39.55555556,48,68,75.44444444,60.66666667,28,12,9,0,64.68186711,70.84354711,53.94122753,39.46821476,15.13596939,11.00626405,12.107088,1.016064,0,205.498481,251.9722988,200.9328038,175.1655938,99.35940425,73.67185819,114.7366164,31.08374443,0,7.083820444,7.305580444,7.178759733,7.183142667,6.985893556,6.871657333,7.117632,6.718464,0,1.48651828,1.858146839,1.538209926,1.428381492,0.946479635,0.747368882,1.11354431,0.444612905,0,159.0850761,141.4211292,150.7055047,149.4647558,164.0246332,173.0655605,153.1225477,184.917652,0,2.197530864,2.666666667,2.266666667,2.286195286,1.685185185,1.333333333,2,1,0,0.041982015,0.001539808,-0.002835092,-0.03000414,-0.01154366,0.021532128,-0.006612255,0.006932205,0,538.0711511,3.27E-13,98.6463777,-408.0372896,-188.3249029,192.8088291,-179.3570504,215.2284604,0,1000.566282,-4.26E-14,183.4371517,-758.7627638,-350.1981987,358.536251,-333.522094,400.2265128,0,0.105404444,1.52E-15,0.019324148,-0.079931704,-0.036891556,0.037769926,-0.035134815,0.042161778,0,4.472996822,3.94E-15,0.820049417,-3.39202259,-1.565548888,1.602823861,-1.490998941,1.789198729,0,24.29738973,4.40E-14,4.45452145,-18.42552054,-8.504086404,8.706564652,-8.099129909,9.718955891,0,3.901234568,-0.790123457,1.695473251,-2.744855967,-2.197530864,2.041152263,-1.448559671,1.49382716,0,0.002332334,8.55E-05,-9.45E-05,-9.09E-04,-3.21E-04,0.001025339,-0.001102043,7.70E-04,0,29.89284173,1.82E-14,3.28821259,-12.36476635,-5.231247302,9.181372817,-29.89284173,23.91427338,0,55.58701566,-2.37E-15,6.114571723,-22.99281102,-9.727727741,17.07315481,-55.58701566,44.46961253,0,0.005855802,8.46E-17,6.44E-04,-0.002422173,-0.001024765,0.001798568,-0.005855802,0.004684642,0,0.248499823,2.19E-16,0.027334981,-0.102788563,-0.043487469,0.076324946,-0.248499823,0.198799859,0,1.349854985,2.44E-15,0.148484048,-0.558349107,-0.236224622,0.414598317,-1.349854985,1.079883988,0,0.216735254,-0.043895748,0.056515775,-0.083177454,-0.061042524,0.097197727,-0.241426612,0.165980796,0,0.036677806,-0.040518661,-0.389831097,-0.137483401,0.439619435,-0.472506291,0.330246396,0,6.07E-16,0.11,-0.413636364,-0.175,0.307142857,-1,0.8,0,-4.26E-17,0.11,-0.413636364,-0.175,0.307142857,-1,0.8,0,1.44E-14,0.11,-0.413636364,-0.175,0.307142857,-1,0.8,0,8.81E-16,0.11,-0.413636364,-0.175,0.307142857,-1,0.8,0,1.81E-15,0.11,-0.413636364,-0.175,0.307142857,-1,0.8,0,-0.202531646,0.260759494,-0.383774453,-0.28164557,0.448462929,-1.113924051,0.765822785,0,0.96731211,0.993093135,1.479049058,1.143847354,0.48951253,0.921450203,0,0,1.0625,0.8925,1.390909091,1.0625,0.546428571,1.9125,0,0,1.0625,0.8925,1.390909091,1.0625,0.546428571,1.9125,0,0,1.0625,0.8925,1.390909091,1.0625,0.546428571,1.9125,0,0,1.0625,0.8925,1.390909091,1.0625,0.546428571,1.9125,0,0,1.0625,0.8925,1.390909091,1.0625,0.546428571,1.9125,0,0,1.291139241,0.64556962,1.437859609,1.223892405,0.276672694,2.178797468,0,0,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,24,12,17.62977266,24,3,12.0000252,-3.55E-15,2.22E-16,2.78E-17,-28.83492271,35.49890881,4.437363601,2.855601567,25.6517298,12.75919824,18.61519495,25.6267298,3.203341226,12.75920965,-0.05,3.33E-16,4.16E-17,-28.51055062,39.04919554,4.881149442,2.93185782,0,11.85,12.15008271,-0.208589204,0.091499259,5.84578125,7.659085743,8,18,15,12,2,3,0,0,0,6,10.93207,3.799577752,3.025396389,2.619181914,2.384946851,1.842719103,0.941428501,0.362339541,0.280919995,1.98899578,1.517066688,1.216938438,1.082250302,0.637206443,0.310513972,0.083923071,0.083923071,3.810779039,3.053343152,2.645815032,2.448321326,1.904489599,1.053336623,0.477714833,0.427232027,1.957388135,1.4383458,1.110593711,1.007167592,0.531896723,0.150156259,0.270913902,0.270913902,3.862194007,3.18743532,2.771820215,2.716126481,2.158952528,1.517793787,0.957008449,0.956724315,1.87294753,1.216149863,0.798620231,0.767072651,0.206597349,0.396843083,0.943918427,0.943918427,3.819136668,3.074565934,2.665925019,2.494510478,1.949078733,1.134811365,0.562249297,0.528462823,1.938086149,1.388772714,1.040211722,0.960278991,0.463824367,0.041902902,0.399277246,0.399277246,3.888755316,3.258431154,2.838821757,2.838078588,2.273637886,1.721464227,1.207644823,1.207644823,1.848797093,1.151850519,0.738564276,0.650190428,0.097067588,0.594311107,1.157463255,1.161375552,3.8165219,3.077733288,2.722592367,2.567249127,1.986153783,1.230214688,0.609872562,0.598673466,1.932706055,1.354128395,0.954599352,0.889742168,0.414770323,0.067369896,0.52173913,0.52173913,0,0,0,4,2,2,0,0,0,0,0,0,0.083333333,0.166666667,0,0,0,0.027777778,0.055555556,0.577350269,0,0,0,0.333333333,0,0,0,0.816496581,0.760079655,1.138071187,0.384900179,0.303561201,0.414672312,5.983127663,3.7876937,3.365043969,2.304530453,1.426746322,1.304737854,0.333333333,0,0.747890958,0.473461713,0.336504397,0.230453045,0.142674632,0.108728155,0.083333333,0,5.309401077,2.821367205,2.154700538,1.218233513,0.636894534,0.525783423,0.111111111,0,0.663675135,0.352670901,0.215470054,0.121823351,0.063689453,0.043815285,0.027777778,0,10.70913902,17.43918427,16.62745098,16.8,11.99277246,135.3693593,0.594952168,0.96884357,0.923747277,0.933333333,0.666265136,7.52051996,1.74264,33.722,30.70152702,40.30404889,61.40305404,7.675381755,30.70152702,0.094421893,0.011802737,-1.887985849,23.37145629,2.921432036,2.521212369,58,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,4,0,0,0,0,0,0,0,0,2,0,0,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.14,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.626388889,0,0,0,0,1.626388889,0,0,0,0,0,0,0,0,4.193333333,0,0,0,0,8.481481481,0,0,0,0,2.658518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.329259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0,0.406597222,0,0,0,0,0,0,0,0,2.096666667,0,0,0,0,2.12037037,0,0,0,0,1.329259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0,0.406597222,0,0,0,0,0,0,0,0,2.096666667,0,0,0,0,2.12037037,0,0,0,0,1.329259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.33333333,1.916666667,0.406597222,2.12037037,0.1775,1.329259259,4.879186667,0.337407407,0.12037037,1.34962963,0.337407407,0.12037037,1.34962963,4,0.5,0,0,0.47778,0.7,0.43333,0.43333,0.7,0.04444,0.04444,0,0,0.71429,0,0,0.25,0.25,0,10,1.25,4,0.5,6,0.75,2,0.25,0,0,4.09034,0.51129,8.39431,4.30397,0.538,1.7065,0.21331,3.78768,2.08118,0.26015,0.12632,0.01579,0.21232,0.02654,0.333333333,8,0,0,0,0,0,0,0.25,0.99107606,2.197159723,2.197159723,2.419381946,2.419381946,2.197159723,17.83936908,39.54887502,39.54887502,43.54887502,43.54887502,39.54887502,0.237672394,0.526906293,0.526906293,0.580197952,0.580197952,0.526906293,3.178848942,1.972765278,1.972765278,1.750543056,1.750543056,1.972765278,0.225638533,0.500227901,0.500227901,0.550821289,0.550821289,0.500227901,6.714395846,15.2580338,15.2580338,17.92470047,15.48199492,15.2580338,29.66949396,25.1248139,25.1248139,22.0050139,24.60484724,25.1248139,6.125,2.52,1.8,0,6,0,2.34,0.9982,0.2,3.265986324,2,0,3.301927249,5.656854249,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,3.896,10,10,10,12,4,0,0,0,0,62,2.48490665,3.020424886,3.409496184,3.803880847,4.298135385,3.446011397,0,0,0,0,5.373250891,3.460685484,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,5,0.666666667,2,0.888888889,0.25,0.302222222,0,0,0,0,0,0,0.25,0.088888889,0.035714286,0.151111111,0,0,0,0,0,0,0.525714286,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,0,115.7585009,4,3.610917913,4.343805422,5.129898715,5.888877958,6.670766321,7.438971592,8.217438538,8.989319566,9.765890765,76.05588679,2.833213344,0,4.043051268,0,5.451038454,0,6.940222469,0,8.463159303,8.712924435,106.0782503,5.893236129,15.53282921,1.941603651,0,0,0,62,7,2.866,36,1.231350208,2.153769403,3.054081916,3.803147509,4.921182279,6.121223541,6.552566751,0,0,0,96.27497539,127.3553707,126.9106336,62.84478792,58.47853179,74.11019208,6.657827183,0,0,0,331.391896,462.6330381,552.0594153,403.2552061,370.313278,702.3284771,203.6783102,0,0,0,9.024660361,15.52079594,21.97216747,26.66740925,33.81586865,43.56861655,44.02318382,0,0,0,2.402651941,3.488991624,4.463319945,3.785854084,3.711402594,6.816253644,2.913355737,0,0,0,172.3376467,320.4353436,454.0796648,616.0766503,852.0166314,937.2973437,1211.685258,0,0,0,3.381661893,5.092398481,7.113058049,6.66284114,6.618832576,12.24244708,6.552566751,0,0,0,0.494081992,0.723624636,0.936202266,0.815232167,0.811309312,1.46909365,0.670982835,0,0,0,264.2921107,109.5841137,10.46647079,108.9695773,-45.18233448,-5.519303014,155.3225334,154.7664482,15.98577381,0.708061178,0.293585217,0.028040571,0.291938822,-0.12104734,-0.014786685,98.65011935,40.90355124,3.906732555,40.67416836,-16.86483444,-2.06014436,0.149598018,0.141303915,3.8620868,1.804189934,373.261688,0,1,0,604.8962865,24.59463938,8.457207237,702.6158965,26.50690281,8.890086578,980.0983618,31.30652267,9.933216191,1.833740952,1.833740952,413.5027283,328.6159416,91.62968927,1.258316095,4.512759256,3.586347877,3.705446905,4.288153178,6.664765497,0.554227478,3.1157585,2.872001084,3.665941125,7.416912782,0.135536587,4.808251928,4.302966477,5.908330452,0.88460686,1.326164933,1.452645365,1.83923252,2.73E-05,7.61E-31,4.94E-78,6.44E-147,1.67E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,0.261593628,2.871879065,0.283316288,4.151625241,0.011785942,0.286280831,0.429999584,0.38752184,0.006235093,0.051674526,0.121938123,0.012954489,1.93E-07,5.36E-33,3.48E-80,4.54E-149,1.17E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844189527,2.871887516,0.92997715,4.597598516,0.036964138,0.750601875,1.219391513,1.322219663,0.064937302,0.136838387,0.393563087,0.134990864,2.01E-06,5.58E-32,3.62E-79,4.73E-148,1.22E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,2.941028572,2.871987793,3.443362505,7.138993932,0.12793167,4.369143814,4.065454723,5.502350528,0.788172046,1.18623701,1.371180155,1.638723492,2.44E-05,6.78E-31,4.40E-78,5.74E-147,1.48E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,1.244123348,2.871898203,1.386896165,4.969228532,0.054272513,1.20554411,1.761629698,2.020933597,0.141040847,0.247257912,0.580025334,0.29321666,4.36E-06,1.21E-31,7.87E-79,1.03E-147,2.65E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,3.762704777,2.872056906,4.507644971,8.534507365,0.163727087,6.618324159,5.182832816,7.488700245,1.290100527,1.914543001,1.754274673,2.682345742,3.99E-05,1.11E-30,7.20E-78,9.39E-147,2.43E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,1.69634622,2.622347992,1.731884555,5.706314981,0.073846163,1.756600806,2.368033919,2.779708344,0.24081158,0.395814483,0.790869376,0.500662857,7.44E-06,2.07E-31,1.34E-78,1.75E-147,4.53E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.913938494,1.503401335,0.185827252,0.744179033,0.227678827,0.566059351,0.437948295,0.222237974,6.60316708,8.580138312,16.55612683,0.61626855,1.22624562,3.065824818,0.831967049,0.031761634,0.780196736,0.211720504,0.220350474,0.134116491,0.006492399,3.929553502,2.674465469,6.685032267,0.670295105,0.360959364,3.69988704,1.062333065,0.084619795,0.763360688,0.219180556,0.32091327,0.218672541,0.046083283,4.8468399,4.333490428,9.512929475,0.645041032,0.585669094,4.856591742,1.482567454,0.181046653,0.744852518,0.227380468,0.552924691,0.425894436,0.210950454,6.52020585,8.347908412,16.17169087,0.617278776,1.189769581,4.020698892,1.17888672,0.111363873,0.757058395,0.221972874,0.378975327,0.269288291,0.079815662,5.310949484,5.318994517,11.15780303,0.635587592,0.728079281,5.098376038,1.570406691,0.201202512,0.742123288,0.228589529,0.609348171,0.477855969,0.260535109,6.869985241,9.348299677,17.82921762,0.613184933,1.347739249,4.854883392,1.482877352,0.180720336,0.744787525,0.227488173,0.55253579,0.426072507,0.210190707,6.518481079,8.344558878,16.16408119,0.617181288,1.188799004 +UMLYSI0116,L,"1,2-dimethylbenzene",CC1=CC=CC=C1C,aromatic,C8H10,95-47-6,7237,PubChem,,204.8,0,2.2962,5.27253444,39.5198,20.74793,6,6,18,8,10,0,8,0,0,0,0,0,0,0,0,0,1164.273608,1275.183848,1618.236826,1423.517096,611.441042,119.210112,6.096384,0,0,3698.972658,4535.501378,6027.984113,6005.592007,4078.855785,1601.735308,186.5024666,0,0,127.508768,131.500448,215.362792,237.067424,253.887176,204.747264,40.310784,0,0,26.75732905,33.4466431,46.14629777,48.14301353,38.0868553,18.68983839,2.667677429,0,0,2863.531369,2545.580326,4521.165141,4937.803854,5714.116169,5293.168726,1109.505912,0,0,39.55555556,48.11111111,67.33333333,74.33333333,67.33333333,38,6,0,0,64.68186711,70.84354711,53.94122753,43.1368817,16.98447339,3.9736704,1.016064,0,0,205.498481,251.9722988,200.9328038,181.9876366,113.3015496,53.39117695,31.08374443,0,0,7.083820444,7.305580444,7.178759733,7.183861333,7.052421556,6.8249088,6.718464,0,0,1.48651828,1.858146839,1.538209926,1.458879198,1.057968203,0.622994613,0.444612905,0,0,159.0850761,141.4211292,150.7055047,149.6304198,158.7254491,176.4389575,184.917652,0,0,2.197530864,2.672839506,2.244444444,2.252525253,1.87037037,1.266666667,1,0,0,0.042011374,0.00113106,-0.00465623,-0.017417678,-0.026637868,0.016286619,0.010288411,0,0,538.0711511,2.98E-13,98.6463777,-286.9712806,-511.1675936,286.9712806,143.4856403,0,0,1000.566282,-7.11E-14,183.4371517,-533.6353504,-950.5379679,533.6353504,266.8176752,0,0,0.105404444,1.52E-15,0.019324148,-0.056215704,-0.100134222,0.056215704,0.028107852,0,0,4.472996822,4.16E-15,0.820049417,-2.385598305,-4.24934698,2.385598305,1.192799152,0,0,24.29738973,4.40E-14,4.45452145,-12.95860785,-23.08252024,12.95860785,6.479303927,0,0,3.901234568,-0.679012346,1.028806584,-1.041152263,-3.975308642,1.720164609,0.995884774,0,0,0.002333965,6.28E-05,-1.55E-04,-5.28E-04,-7.40E-04,5.43E-04,0.001714735,0,0,29.89284173,1.66E-14,3.28821259,-8.696099412,-14.19909982,9.565709353,23.91427338,0,0,55.58701566,-3.95E-15,6.114571723,-16.17076819,-26.40383244,17.78784501,44.46961253,0,0,0.005855802,8.46E-17,6.44E-04,-0.001703506,-0.002781506,0.001873857,0.004684642,0,0,0.248499823,2.31E-16,0.027334981,-0.072290858,-0.118037416,0.079519943,0.198799859,0,0,1.349854985,2.44E-15,0.148484048,-0.392685086,-0.641181118,0.431953595,1.079883988,0,0,0.216735254,-0.037722908,0.034293553,-0.031550069,-0.11042524,0.05733882,0.165980796,0,0,0.026922699,-0.06649956,-0.226142374,-0.317031624,0.232602992,0.734687544,0,0,5.55E-16,0.11,-0.290909091,-0.475,0.32,0.8,0,0,-7.10E-17,0.11,-0.290909091,-0.475,0.32,0.8,0,0,1.44E-14,0.11,-0.290909091,-0.475,0.32,0.8,0,0,9.31E-16,0.11,-0.290909091,-0.475,0.32,0.8,0,0,1.81E-15,0.11,-0.290909091,-0.475,0.32,0.8,0,0,-0.174050633,0.158227848,-0.14556962,-0.509493671,0.264556962,0.765822785,0,0,0.977767684,1.007673912,1.2804113,1.246278799,0.55488696,0.233957644,0,0,1.0625,0.8925,1.275,1.38125,0.51,0,0,0,1.0625,0.8925,1.275,1.38125,0.51,0,0,0,1.0625,0.8925,1.275,1.38125,0.51,0,0,0,1.0625,0.8925,1.275,1.38125,0.51,0,0,0,1.0625,0.8925,1.275,1.38125,0.51,0,0,0,1.264240506,0.742405063,1.100402762,1.506329114,0.581012658,0,0,0,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,23.1119749,11.55598745,15.81012296,23.1119749,2.888996862,11.5560264,-8.88E-15,0.142194222,0.017774278,-1.560449118,32.75997361,4.094996701,2.791365963,25.80371302,12.63947897,17.28024625,25.77871302,3.222339127,12.63949246,-0.05,0.170468282,0.021308535,-1.415364823,180.8229575,22.60286969,4.158014734,0,11.89,12.11011416,-0.153572681,0.066679311,6.076517438,8.135706971,8,18,15,12,2,3,0,0,0,6,10.93207,3.80402576,2.90795096,2.82224519,2.2840747,1.849087084,0.762088806,0.757343017,0.083923071,1.990836888,1.414070796,1.410684643,0.967505521,0.642456651,0.240317338,0.017405256,0.083923071,3.814961154,2.937007014,2.856180768,2.337690339,1.911715578,0.884873518,0.871721925,0.270913902,1.959441359,1.331448037,1.322266262,0.878049989,0.53889727,0.072857973,0.114294004,0.270913902,3.865369425,3.075578314,3.020159645,2.558179261,2.168564572,1.399718817,1.318436933,0.943918427,1.875952483,1.105089135,1.055275398,0.599306628,0.21632519,0.507877804,0.601574622,0.943918427,3.823131875,2.959027702,2.882037162,2.376388319,1.956880895,0.976843348,0.951179337,0.399277246,1.940303412,1.281274819,1.263652779,0.820034811,0.471833165,0.04078926,0.206484562,0.399277246,3.891532095,3.148440862,3.106818782,2.657056976,2.283298423,1.619268826,1.50782532,1.207644823,1.85220322,1.038929329,0.976578969,0.504666614,0.106344136,0.722573095,0.787776827,1.207644823,3.816796135,2.99042733,2.918477145,2.443380612,1.992665874,1.07434737,1.010212234,0.52173913,1.941170267,1.220615524,1.201263501,0.746473786,0.42637853,0.152342848,0.267686842,0.52173913,0,0,0,4,2,2,0,0,0,0,0,0,0.083333333,0.166666667,0,0,0,0.027777778,0.055555556,0.471404521,0,0.166666667,0,0.288675135,0,0.083333333,0,1.138071187,1.040440115,1.138071187,0.622008468,0.455341801,0.414672312,5.983127663,3.804530453,3.239024819,2.540336414,1.501661279,1.024377395,0.333333333,0.083333333,0.747890958,0.475566307,0.323902482,0.230939674,0.150166128,0.102437739,0.083333333,0.083333333,5.309401077,2.827350269,2.084258917,1.425569669,0.662677957,0.374002823,0.111111111,0.027777778,0.663675135,0.353418784,0.208425892,0.129597243,0.066267796,0.037400282,0.027777778,0.027777778,10.70913902,17.43918427,16.62745098,16.8,11.99277246,135.3693593,0.594952168,0.96884357,0.923747277,0.933333333,0.666265136,7.52051996,1.74264,33.722,31.15378298,42.72358734,62.30756596,7.788445745,31.15378298,3.33E-16,4.16E-17,-28.51055062,41.24325189,5.155406487,2.975590007,54,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,4,0,0,0,0,0,0,0,0,2,0,0,0,0,4,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.09259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.661944444,0,0,0,0,1.661944444,0,0,0,0,0,0,0,0,4.240740741,0,0,0,0,8.356481481,0,0,0,0,2.736111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.368055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0,0,0.406597222,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,2.05787037,0,0,0,0,1.368055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.424375,0,0,0,0,0.424375,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,2.12037037,0,0,0,0,1.368055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.33333333,1.916666667,0.424375,2.12037037,0.159722222,1.368055556,4.877810185,0.298611111,0.12037037,1.194444444,0.298611111,0.12037037,1.194444444,4,0.5,0,0,0.47778,0.7,0.43333,0.43333,0.7,0.04444,0.04444,0,0,0.71429,0,0,0.25,0.25,0,10,1.25,4,0.5,6,0.75,2,0.25,0,0,4.20915,0.52614,8.47399,4.26484,0.53311,1.70742,0.21343,3.80452,2.0971,0.26214,0.10948,0.01369,0.19548,0.02444,0.333333333,8,0,0,0,0,0,0,0.25,0.99107606,2.197159723,2.419381946,2.641604168,2.641604168,2.641604168,17.83936908,39.54887502,43.54887502,47.54887502,47.54887502,47.54887502,0.237672394,0.526906293,0.580197952,0.633489611,0.633489611,0.633489611,3.178848942,1.972765278,1.750543056,1.528320834,1.528320834,1.528320834,0.225638533,0.500227901,0.550821289,0.601414678,0.601414678,0.601414678,6.714395846,15.2580338,17.92470047,18.14866158,18.14866158,18.14866158,29.66949396,25.1248139,22.0050139,21.48504723,21.48504723,21.48504723,6.125,2.52,1.487603306,0,6,0,2.34,0.9982,0.333333333,2.746356192,2.828427125,0,3.965406457,4.298279727,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.129,0.112,0.529,0.672,3.896,10,11,10,10,4,1,0,0,0,62,2.48490665,3.020424886,3.457892725,3.803880847,4.201890189,3.446011397,2.151035195,0,0,0,5.384064924,3.498487903,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,1.5,1.111111111,0.375,0.222222222,0,0,0,0,0,0,0.1875,0.111111111,0.046875,0.111111111,0,0,0,0,0,0,0.456597222,15.30662386,21.30662386,30.61324773,3.826655966,15.30662474,1.11E-16,1.39E-17,-29.38944046,30.83444818,3.854306023,2.74290601,0,115.7585009,4,3.610917913,4.369447852,5.153291594,5.932245187,6.717804695,7.501634458,8.287276756,9.072341874,9.857914707,76.50287504,2.833213344,0,4.043051268,0,5.476463552,0,7.00033446,0,8.555836815,8.796490207,106.0782503,5.893236129,15.53340973,1.941676217,0,0,0,60,8,2.866,36,1.231350208,2.153884046,3.046647115,3.822580672,4.468708192,5.750098393,0,0,0,0,96.27497539,127.0224938,137.5267254,68.86344329,18.82367219,5.842467974,0,0,0,0,331.391896,461.8651935,571.838864,448.4080984,246.6335433,178.7345889,0,0,0,0,9.024660361,15.52054232,21.92590697,27.00948005,30.53690935,38.63182905,0,0,0,0,2.402651941,3.484881805,4.550666162,4.149925192,2.848304721,2.55656795,0,0,0,0,172.3376467,320.5194899,453.0536842,602.8301581,785.3968383,1063.294694,0,0,0,0,3.392950518,5.025400425,7.009036361,7.297529309,5.756522435,5.750098393,0,0,0,0,0.494081992,0.722836451,0.952155061,0.890312262,0.634798959,0.588810075,0,0,0,0,233.8521723,96.85195566,9.952212092,103.1515768,-42.72114236,-5.322744102,130.7005955,139.573098,15.27495619,0.69391564,0.28739133,0.029531458,0.30608436,-0.126767558,-0.015794317,78.80905877,32.63947216,3.353932786,34.7624681,-14.39718514,-1.793784718,0.149769187,0.148478697,3.866505788,2.568200138,337.003749,0,1,0,604.8962865,24.59463938,8.457207237,702.6158965,26.50690281,8.890086578,994.7851316,31.54021451,9.982586801,1.272637786,1.208406765,365.9172357,225.2800829,147.3796166,1.624276905,2.482821194,1.528570151,3.690318969,3.785524729,5.780049759,0.52688205,3.1157585,2.872001084,5.182997632,7.584438973,0.23099269,4.432855542,4.835012059,5.207544078,0.321704875,1.319846809,0.017083217,3.52E-23,2.37E-65,3.37E-129,9.38E-215,5.04E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.261593628,2.871879065,0.268061334,3.709885671,0.039745246,0.306369819,0.448259713,0.34234365,0.002314075,0.012800904,1.20E-04,2.48E-25,1.67E-67,2.37E-131,6.61E-217,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844189527,2.871887516,0.974676375,4.179904137,0.072969214,0.853966727,1.340751044,1.166907941,0.023735362,0.105874606,0.001253811,2.58E-24,1.74E-66,2.47E-130,6.88E-216,3.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.941028572,2.871987793,4.777171508,7.233731792,0.217227959,4.075977539,4.565418734,4.850080781,0.286666497,1.178373224,0.015220839,3.13E-23,2.11E-65,3.00E-129,8.36E-215,4.5E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.244123348,2.871898203,1.547820513,4.597827192,0.097502638,1.317379387,1.954290819,1.782984584,0.051437568,0.221348512,0.002723446,5.61E-24,3.78E-66,5.37E-130,1.50E-215,7.9E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.762704777,2.872056906,6.804737465,9.011831666,0.284292518,5.872590722,5.834375055,6.59876291,0.469018846,1.913439817,0.024914267,5.13E-23,3.45E-65,4.91E-129,1.37E-214,7.36E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.696340176,2.687981827,2.093977049,5.021848526,0.11495975,1.849305557,2.648011178,2.498820822,0.087742789,0.371688456,0.004650252,9.57E-24,6.45E-66,9.17E-130,2.55E-215,1.4E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.189333731,2.312523021,0.185824622,0.560744093,0.406584488,0.567887108,0.576490819,0.222242366,5.687681374,8.397788127,15.45600184,0.450992871,1.366620294,2.174190113,1.357503556,0.03175933,0.610135763,0.380951722,0.263924691,0.19870254,0.006491786,3.563452998,3.063635033,6.720824766,0.486631227,0.469119017,2.522466012,1.685168187,0.084617385,0.587678975,0.39260704,0.355244006,0.30618113,0.046082949,4.292251584,4.606818479,9.258759906,0.470429022,0.707508085,3.157833141,2.282890186,0.181044034,0.561715371,0.406080515,0.556725378,0.561815958,0.210954504,5.621767362,8.193996788,15.12090811,0.45169383,1.32949584,2.69868287,1.850949731,0.111361406,0.578992993,0.397114806,0.406607845,0.369372019,0.079816056,4.660994007,5.501779818,10.71903812,0.464161698,0.85579592,3.290645691,2.407827094,0.201199847,0.557767506,0.408128933,0.60453645,0.624969086,0.260540678,5.899672633,9.069837708,16.56367827,0.448844658,1.490046215,3.160475876,2.282685646,0.180717711,0.56197435,0.405891654,0.557657991,0.561717816,0.210194723,5.623879233,8.198048609,15.1256928,0.451799006,1.329570529 +UMLYSI0117,L,(1-methylpropyl)-benzene,CCC(C)C1=CC=CC=C1,aromatic,C10H14,135-98-8,8680,UML,,199.1,0,1.1045,1.21992025,47.0813,26.935102,6,6,24,10,14,0,10,0,0,0,0,0,0,0,0,0,1456.866106,1612.140442,2016.744924,1941.144755,1412.516623,890.996068,343.143529,59.605056,3.048192,4670.34144,5841.481647,7938.731209,8337.567344,7102.446203,5162.672522,2672.989803,800.8676542,93.25123329,169.463656,175.052008,301.220976,383.016332,381.324796,355.509904,228.518884,102.373632,20.155392,34.11358067,43.47862034,62.19060946,68.52633425,61.82491149,48.10676025,27.05048403,9.344919193,1.333838715,3856.790689,3411.659229,6337.774435,8455.934033,8561.2468,8435.224566,5567.232656,2646.584363,554.7529561,48.80555556,58.88888889,86.16666667,101.8333333,100,84.33333333,50.5,19,3,60.70275442,67.17251842,48.01773629,35.94712509,26.15771524,17.47051114,10.39828876,3.9736704,1.016064,194.59756,243.3950686,189.0174097,154.3993953,131.5267815,101.228873,80.99969099,53.39117695,31.08374443,7.060985667,7.293833667,7.171928,7.092895037,7.061570296,6.970782431,6.924814667,6.8249088,6.718464,1.421399194,1.811609181,1.480728797,1.26900619,1.144905768,0.943269809,0.819711637,0.622994613,0.444612905,160.6996121,142.1524679,150.8993913,156.591371,158.5416074,165.3965601,168.7040199,176.4389575,184.917652,2.033564815,2.453703704,2.051587302,1.885802469,1.851851852,1.653594771,1.53030303,1.266666667,1,0.055581834,-0.00450474,-0.015137878,-0.002509593,-0.015954422,-0.001129692,-7.58E-04,0.007943012,0.00426043,706.2183858,-6.39E-14,-35.31091929,-55.48858746,-337.9759418,-58.01079598,-42.87754485,113.4993834,63.05521302,1313.243245,2.13E-13,-65.66216225,-103.1833978,-628.4806959,-107.8735523,-79.73262559,211.0569501,117.2538612,0.138343333,2.24E-15,-0.006917167,-0.010869833,-0.066207167,-0.011363917,-0.008399417,0.02223375,0.012352083,5.870808328,1.36E-14,-0.293540416,-0.461277797,-2.809601129,-0.48224497,-0.356441934,0.943522767,0.524179315,31.89032402,-1.08E-13,-1.594516201,-2.505668316,-15.26179792,-2.61956233,-1.936198244,5.125230645,2.847350359,4.795138889,-0.46875,0.233506944,0.665798611,-2.296006944,-0.668836806,-0.704427083,0.46484375,0.376302083,0.00231591,-1.88E-04,-3.60E-04,-4.65E-05,-2.95E-04,-2.22E-05,-2.30E-05,5.30E-04,0.001420143,29.42576608,-2.66E-15,-0.840736174,-1.027566434,-6.258813737,-1.137466588,-1.299319541,7.566625563,21.01840434,54.71846854,8.88E-15,-1.563384816,-1.910803663,-11.6385314,-2.115167692,-2.416140169,14.07046334,39.08462039,0.005764306,9.32E-17,-1.65E-04,-2.01E-04,-0.001226059,-2.23E-04,-2.55E-04,0.00148225,0.004117361,0.244617014,5.67E-16,-0.006989058,-0.008542181,-0.052029651,-0.009455784,-0.010801271,0.062901518,0.174726438,1.328763501,-4.50E-15,-0.037964671,-0.046401265,-0.282625887,-0.051363967,-0.058672674,0.341682043,0.949116786,0.199797454,-0.01953125,0.005559689,0.012329604,-0.042518647,-0.013114447,-0.021346275,0.030989583,0.125434028,-0.081046983,-0.155630267,-0.020067249,-0.127575028,-0.009564636,-0.009918669,0.228650587,0.613211824,-9.06E-17,-0.028571429,-0.034920635,-0.212698413,-0.038655462,-0.044155844,0.257142857,0.714285714,1.62E-16,-0.028571429,-0.034920635,-0.212698413,-0.038655462,-0.044155844,0.257142857,0.714285714,1.62E-14,-0.028571429,-0.034920635,-0.212698413,-0.038655462,-0.044155844,0.257142857,0.714285714,2.32E-15,-0.028571429,-0.034920635,-0.212698413,-0.038655462,-0.044155844,0.257142857,0.714285714,-3.38E-15,-0.028571429,-0.034920635,-0.212698413,-0.038655462,-0.044155844,0.257142857,0.714285714,-0.09775525,0.027826627,0.061710516,-0.212808754,-0.06563871,-0.106839576,0.155104996,0.627805938,1.173200921,1.049672908,0.945006845,1.097084388,0.938267977,1.019858679,0.736288102,0.310888129,1.15,1.079591837,1.022222222,1.168253968,0.927731092,0.896103896,0.525714286,0,1.15,1.079591837,1.022222222,1.168253968,0.927731092,0.896103896,0.525714286,0,1.15,1.079591837,1.022222222,1.168253968,0.927731092,0.896103896,0.525714286,0,1.15,1.079591837,1.022222222,1.168253968,0.927731092,0.896103896,0.525714286,0,1.15,1.079591837,1.022222222,1.168253968,0.927731092,0.896103896,0.525714286,0,1.265749457,0.904106755,0.845066645,1.218869847,1.028013233,1.035613192,0.639536568,0,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,41.62847744,20.81423872,31.17538522,41.62847744,4.162847744,20.81423873,-2.49E-14,0.250427186,0.025042719,-1.384587075,45.49304776,4.549304776,3.817559518,53.47018582,26.36974711,40.8158777,53.38785249,5.338785249,26.36974711,-0.205833333,0.40961866,0.040961866,-0.89252865,40.7712947,4.07712947,3.707978272,0,11.85,12.1501118,-0.209912607,0.090223817,5.601666108,9.072760389,10,24,21,18,4,3,0,0,0,6,15.304898,3.800553388,3.300106495,2.740218449,2.619181914,2.444398039,1.804739059,1.163709156,0.941428501,2.001824673,1.732960006,1.42816176,1.082250302,1.013929276,0.832448724,0.433950696,0.310513972,3.812484671,3.328394347,2.785434122,2.645815032,2.484334788,1.888110927,1.267709641,1.053336623,1.968123094,1.669338321,1.331598489,1.007167592,0.927631179,0.71011407,0.283171921,0.150156259,3.867115504,3.45536442,2.992419406,2.771820215,2.652140743,2.231870042,1.695660318,1.517793787,1.878521577,1.481081079,1.034252875,0.798620231,0.68494011,0.295587422,0.225606429,0.396843083,3.821379157,3.349394459,2.819379244,2.665925019,2.513196408,1.948416887,1.343018712,1.134811365,1.947607648,1.628606968,1.26876728,0.960278991,0.873919006,0.627461673,0.181813002,0.041902902,3.89528271,3.518232671,3.094272604,2.838078588,2.732168434,2.384378828,1.883760183,1.721464227,1.852898206,1.422866863,0.939332824,0.738564276,0.610366649,0.148591038,0.407574243,0.594311107,3.847762949,3.320838122,2.870322016,2.756996632,2.577474451,1.985955602,1.374562599,1.255336616,1.947732517,1.609247132,1.193106268,0.858459866,0.802501385,0.557014447,0.113589126,0.089369861,0,0,0,5,1,2,1,1,0,0,0,0,0.102062073,0.058925565,0,0,0,0.032075015,0.018518519,0.402368927,0,0.11785113,0,0.30034919,0,0.068041382,0,1.089255651,1.339255651,1.373773448,0.715203943,0.725729982,0.623411431,7.397341225,4.842535255,3.783622271,3.098518319,2.036535719,1.41711029,0.569035594,0.319035594,0.739734123,0.484253526,0.315301856,0.221322737,0.145466837,0.101222164,0.071129449,0.053172599,6.671208396,3.892064078,2.719979463,1.980980521,1.017274032,0.582361414,0.225115408,0.108587098,0.66712084,0.389206408,0.226664955,0.141498609,0.072662431,0.041597244,0.028139426,0.01809785,13.79279463,23.21485798,22.07843137,22.32,15.58988144,181.4258695,0.574699776,0.967285749,0.919934641,0.93,0.649578393,7.559411228,3.2001,45.148,41.88157561,60.63834098,83.76315123,8.376315123,41.88157561,0.23147766,0.023147766,-1.463271913,38.30092131,3.830092131,3.645473951,90,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,4,0,0,5,0,0,0,0,0,0,0,0,2,0,1,0,0,5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.08518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.997814626,0,1.18586593,0,0,1.997814626,0,0,0,0,0,0,0,0,4.479166667,0,1.226203704,0,0,10.63611111,0.709444444,0,0,0,1.449074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.449074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0,0.25461593,0,0,0.380972222,0,0,0,0,0,0,0,0,2.219907407,0,1.226203704,0,0,2.061388889,0.709444444,0,0,0,1.449074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.188657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.42100907,0,0.359305556,0,0,0.42100907,0,0,0,0,0,0,0,0,2.259259259,0,1.226203704,0,0,2.188657407,0.709444444,0,0,0,1.449074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.5,1.85,0.42100907,2.259259259,0.116319444,0.709444444,6.297556111,0.623888889,0.259259259,2.230555556,0.623888889,0.259259259,2.230555556,5,0.5,0,0,0.46667,0.7,0.43333,0.43333,0.7,0.03333,0.03333,0,0,0.71429,0,0,0.2,0.2,0,11,1.1,5,0.5,6,0.6,1,0.1,0,0,6.80028,0.68003,11.56742,4.76714,0.47671,2.88621,0.28862,4.84252,1.95631,0.19563,0.07148,0.00715,0.15748,0.01575,0.25,10,0,0,0,0,0,0,0.4,0.979868757,2.345437252,3.090199877,3.740601563,3.938721876,3.855388542,23.51685016,56.29049406,74.16479704,89.77443751,94.52932501,92.52932501,0.213713581,0.511549931,0.673985856,0.815841255,0.859052146,0.840876788,3.605093744,2.239525248,1.494762624,0.844360938,0.646240625,0.729573959,0.206076118,0.493268716,0.649899682,0.786685607,0.828352274,0.810826448,6.772325919,17.12993833,21.02005558,23.85331982,24.05299043,23.05299043,37.92632204,28.30072848,22.21202699,17.51591511,16.96403542,18.25651667,8.1,4,2.285714286,4,6,4,2.56,1.28,0.333333333,3.422158352,2.149139864,0,6.945629182,6.085553735,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.151,0.144,0.514,0.649,4.689,12,14,14,14,8,6,2,0,0,90,2.63905733,3.068052935,3.518980417,3.914519886,4.313312742,3.765551102,3.725693427,2.784239339,0,0,5.696883733,3.299305556,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.2,4,0.4,0,3,6,1,1.5,1.111111111,0.4375,0.191111111,0.152777778,0.04,0,0,0,0,0.15,0.092592593,0.039772727,0.027301587,0.038194444,0.04,0,0,0,0,0.387861352,24.96027687,37.10029833,49.92055373,4.992055373,24.96027687,0.054700231,0.005470023,-2.905887347,107.3580669,10.73580669,4.676169667,0,150.3504702,4.321928095,3.80666249,4.574710979,5.361292166,6.150602768,6.944087208,7.737616283,8.532475815,9.326967184,10.12202049,82.55643538,3.044522438,0,4.234106505,0,5.65248918,0,7.158513997,0,8.703008637,8.947285869,134.1095504,5.587897935,19.52724104,1.952724104,0,0,0,121,11,4.011,44,1.236512656,2.164930193,2.965069029,3.722678127,4.377382855,5.526216698,6.674735984,7.865256659,0,0,92.91185031,113.623177,113.7825863,109.9191829,89.83009648,62.79788839,27.37127644,7.991604142,0,0,323.9803594,435.048515,479.9816946,521.5386142,490.6483874,470.167588,362.7685305,244.4816279,0,0,9.050443239,15.5781293,21.08772308,26.3444751,30.65935821,38.34859606,45.58498675,52.84244372,0,0,2.364973853,3.357973835,3.902985892,4.444923356,4.447755108,4.689780193,4.20947443,3.496994611,0,0,173.8105839,323.0953877,460.1231939,586.3675213,712.9773203,926.0664688,1175.252245,1454.424794,0,0,3.114146793,4.578796416,5.731753281,7.060622534,7.637206833,8.676222211,8.531130624,7.865256659,0,0,0.486961494,0.699231276,0.820900107,0.942370207,0.953502675,1.020891038,0.938932867,0.805402282,0,0,278.7156861,149.7492451,10.98142046,79.87957471,-42.91795046,-4.776660073,198.8361114,192.6671956,15.75808053,0.777243083,0.417599621,0.03062344,0.222756917,-0.119683541,-0.013320477,99.94612417,53.69936961,3.937885333,28.64443693,-15.39017364,-1.712887665,0.115465203,0.12048862,1.438085983,0.954879563,358.5952608,0,1,0,726.8842238,26.96079049,8.991284665,863.5642905,29.38646441,9.522805011,1267.367914,35.60011115,10.82183487,2.065462657,2.065462657,710.0231553,603.0350707,163.6959785,1.177416024,4.337450202,3.683872237,4.395404959,4.443439901,7.963231373,0.792132121,4.313020202,4.901461064,4.567414572,16.895635,5.163184263,8.070454164,5.380535607,8.837713579,5.556137655,4.514281356,4.865549702,3.022609564,1.732812076,1.271591476,1.718141754,4.99E-13,2.93E-47,3.44E-103,8.03E-181,3.70E-280,0,0,0,0,0,0,0,0,0,0,0.362071417,4.719493148,0.355661999,6.191825066,1.545866239,1.405964561,1.139685742,1.6100042,0.870635021,0.313646507,1.18595271,0.32815992,0.082699843,0.068488127,0.012101013,3.52E-15,2.06E-49,2.42E-105,5.65E-183,2.61E-282,0,0,0,0,0,0,0,0,0,0,1.168544138,4.731653019,1.165698124,7.381465906,1.888466846,2.336716091,1.923670042,2.757506624,1.337557848,1.014438501,1.921144012,0.671880515,0.308295191,0.246277366,0.126101884,3.67E-14,2.15E-48,2.52E-104,5.89E-182,2.72E-281,0,0,0,0,0,0,0,0,0,0,4.071145892,4.881482728,4.29200166,15.88827427,4.801723934,7.510476081,5.092023951,8.279264004,5.096129847,4.201704934,4.634665033,2.784684372,1.592444698,1.173956564,1.53083337,4.45E-13,2.61E-47,3.06E-103,7.15E-181,3.30E-280,0,0,0,0,0,0,0,0,0,0,1.722162424,4.747418556,1.736511283,8.49362291,2.241164061,3.103208795,2.486098291,3.642569731,1.803424895,1.542022011,2.430548721,0.969080954,0.496185143,0.3884523,0.273910142,7.96E-14,4.66E-48,5.48E-104,1.28E-181,5.91E-281,0,0,0,0,0,0,0,0,0,0,5.208571964,4.985467182,5.607096806,21.02520011,6.660480817,10.31636602,6.481566678,11.0370812,7.455955018,5.734532505,5.726795498,3.986394724,2.297206777,1.660319128,2.505748275,7.28E-13,4.27E-47,5.01E-103,1.17E-180,5.40E-280,0,0,0,0,0,0,0,0,0,0,2.384636231,3.782398704,2.369421375,9.037798896,2.648092105,4.08826445,3.381710932,4.58325567,2.377842649,2.193597684,3.185136179,1.44595673,0.774219805,0.597792222,0.502013661,1.46E-13,8.55E-48,1.00E-103,2.35E-181,1.08E-280,0,0,0,0,0,0,0,0,0,0,5.384201833,1.756302876,0.509811045,0.703788184,0.2295726,0.523560275,0.518297971,0.320056083,7.650315754,13.09659733,25.56783374,0.555682276,1.361914329,4.477368459,1.01061179,0.211747492,0.78554076,0.177308783,0.362571404,0.172748268,0.055819327,5.699727741,5.686947405,12.34480742,0.678311139,0.591139,4.799340808,1.275520723,0.317674203,0.750772621,0.199532826,0.416355674,0.274505767,0.125025191,6.392535734,8.051485451,16.38871422,0.626158932,0.815886632,5.357464391,1.73433548,0.501033826,0.705594855,0.22841742,0.518391753,0.505507237,0.30919977,7.592833697,12.8448722,25.09313212,0.558392282,1.33309876,4.957820471,1.405852638,0.369769159,0.736298059,0.208786618,0.444193525,0.333087679,0.169068414,6.733442268,9.323055039,18.6337754,0.604447088,0.946349619,5.469619519,1.826474168,0.537847795,0.698195095,0.233148814,0.540243903,0.560210276,0.355980273,7.833941481,13.91430666,27.12141148,0.547292643,1.456434452,5.370334282,1.736748875,0.500394414,0.705928375,0.228294971,0.52091244,0.507022724,0.308262593,7.60747757,12.88326673,25.15788398,0.558892563,1.336197757 +UMLYSI0118,L,methylcyclopentadiene dimer,CC1=CC2C3CC(C=C3C)C2C1,aromatic,C12H16,26472-00-4,n/a,UML,"2,5-Dimethyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoindene",189.2,0,1.5312,2.34457344,51.5726,31.788688,0,0,28,12,16,0,12,0,0,0,0,0,0,0,0,0,1747.426476,2213.411102,3545.151814,2841.028359,1841.420961,1030.265549,399.614713,87.883488,9.144576,5579.542732,7765.022486,13008.14029,13005.18862,9687.437314,5689.039018,3122.337907,1154.675865,279.7536999,197.981616,219.449336,433.168024,578.480604,595.232964,402.962036,237.233188,143.482752,60.466176,40.58060648,56.86130896,98.31903254,107.969179,86.98579978,52.89440628,30.83975396,13.35045943,4.001516144,4480.214705,4225.081749,8862.493482,12357.74964,13859.49638,9703.319939,5593.174787,3692.500067,1664.258868,49.16666667,62.05555556,108.5555556,139.75,128.1111111,85,52,27,9,62.40808843,73.78037007,59.08586357,35.07442419,21.66377601,17.76319912,11.75337391,4.184928,1.016064,199.2693833,258.8340829,216.8023381,160.5578841,113.9698508,98.08687962,91.83346785,54.98456499,31.08374443,7.070772,7.314977867,7.219467067,7.141735852,7.002740753,6.94762131,6.977446706,6.832512,6.718464,1.449307374,1.895376965,1.638650542,1.332952827,1.02336235,0.911972522,0.907051587,0.635736163,0.444612905,160.0076681,140.8360583,147.7082247,152.5648103,163.0528986,167.2986196,164.5051408,175.8333365,184.917652,1.755952381,2.068518519,1.809259259,1.725308642,1.507189542,1.465517241,1.529411765,1.285714286,1,0.050905529,0.004217743,-0.00827758,-0.043317236,0.017157192,0.004599518,-0.013864359,0.007255213,0.006776745,830.1669189,79.06351608,158.1270322,-793.1058957,-133.4196834,182.8343809,-264.3686319,155.6562973,200.1295251,1543.730835,147.0219843,294.0439686,-1474.81428,-248.0995985,339.9883387,-491.60476,289.4495316,372.1493977,0.162624,0.015488,0.030976,-0.155364,-0.026136,0.035816,-0.051788,0.030492,0.039204,6.901195096,0.657256676,1.314513352,-6.593106029,-1.10912064,1.519906063,-2.19770201,1.293974081,1.663680961,37.48740129,3.570228694,7.140457389,-35.81385659,-6.024760922,8.256153856,-11.9379522,7.028887742,9.037141383,3.734126984,-0.512755102,0.615362812,-3.326105442,0.654336735,1.201530612,-1.105725624,-0.068452381,0.674744898,0.001818055,1.41E-04,-1.38E-04,-5.35E-04,2.02E-04,7.93E-05,-4.08E-04,3.45E-04,7.53E-04,29.64881853,2.635450536,2.635450536,-9.791430811,-1.569643334,3.152316913,-7.775547997,7.412204633,22.2366139,55.13324411,4.90073281,4.90073281,-18.2075837,-2.918818806,5.861867908,-14.45896353,13.78331103,41.34993308,0.005808,5.16E-04,5.16E-04,-0.001918074,-3.07E-04,6.18E-04,-0.001523176,0.001452,0.004356,0.246471253,0.021908556,0.021908556,-0.081396371,-0.013048478,0.026205277,-0.064638294,0.061617813,0.18485344,1.33883576,0.119007623,0.119007623,-0.442146378,-0.07087954,0.14234748,-0.351116241,0.33470894,1.00412682,0.133361678,-0.017091837,0.010256047,-0.04106303,0.007698079,0.020716045,-0.032521342,-0.003259637,0.074971655,0.07733069,-0.075883124,-0.294149962,0.111024893,0.043619174,-0.224292093,0.190030769,0.414163409,0.088888889,0.088888889,-0.330246914,-0.052941176,0.106321839,-0.262254902,0.25,0.75,0.088888889,0.088888889,-0.330246914,-0.052941176,0.106321839,-0.262254902,0.25,0.75,0.088888889,0.088888889,-0.330246914,-0.052941176,0.106321839,-0.262254902,0.25,0.75,0.088888889,0.088888889,-0.330246914,-0.052941176,0.106321839,-0.262254902,0.25,0.75,0.088888889,0.088888889,-0.330246914,-0.052941176,0.106321839,-0.262254902,0.25,0.75,-0.12816153,0.076904003,-0.30790727,0.057723323,0.155337315,-0.243858223,-0.024442083,0.562167906,1.000096072,1.120584679,1.344555968,0.840885103,0.870775307,1.208667786,0.418004626,2.10E-08,1.05,0.984375,1.336805556,0.972794118,0.780711207,1.158088235,0.5625,0,1.05,0.984375,1.336805556,0.972794118,0.780711207,1.158088235,0.5625,0,1.05,0.984375,1.336805556,0.972794118,0.780711207,1.158088235,0.5625,0,1.05,0.984375,1.336805556,0.972794118,0.780711207,1.158088235,0.5625,0,1.05,0.984375,1.336805556,0.972794118,0.780711207,1.158088235,0.5625,0,1.325611052,0.76825186,1.345200142,0.831755954,0.806863571,1.293711321,1.032943677,0,55.3363945,27.46917609,40.3399889,55.3363945,4.611366208,27.46917609,2.84E-14,0.039877988,0.003323166,-3.866316929,75.94180065,6.328483388,5.195960719,55.3363945,27.46917609,40.3399889,55.3363945,4.611366208,27.46917609,2.84E-14,0.039877988,0.003323166,-3.866316929,75.94180065,6.328483388,5.195960719,55.3363945,27.46917609,40.3399889,55.3363945,4.611366208,27.46917609,2.84E-14,0.039877988,0.003323166,-3.866316929,75.94180065,6.328483388,5.195960719,55.3363945,27.46917609,40.3399889,55.3363945,4.611366208,27.46917609,2.84E-14,0.039877988,0.003323166,-3.866316929,75.94180065,6.328483388,5.195960719,55.3363945,27.46917609,40.3399889,55.3363945,4.611366208,27.46917609,2.84E-14,0.039877988,0.003323166,-3.866316929,75.94180065,6.328483388,5.195960719,55.3363945,27.46917609,40.3399889,55.3363945,4.611366208,27.46917609,2.84E-14,0.039877988,0.003323166,-3.866316929,75.94180065,6.328483388,5.195960719,67.32643169,32.51168984,49.17408102,67.15328354,5.596106962,32.51168984,-0.346296296,0.016876808,0.001406401,-4.898177875,63.72935048,5.310779207,4.985574261,0,11.9,12.10021925,-0.12619101,0.074031502,6.383538305,10.2043968,14,30,28,28,12,2,2,0,0,2,17.491312,3.952816403,3.452264818,2.856817309,2.594286997,2.488953029,2.110423132,1.882425298,1.84073512,1.871157324,1.789821072,1.5862349,1.472925437,1.156114152,1.017493501,0.587119801,0.535336802,3.965682795,3.469449049,2.891431275,2.625952664,2.542100406,2.166666633,1.942863586,1.901552573,1.833380796,1.740985216,1.522619093,1.401137705,1.049165462,0.920164331,0.457103953,0.39547313,4.023330585,3.549768342,3.054384678,2.779702419,2.769159209,2.412019599,2.201663649,2.164046371,1.73169673,1.607078656,1.344681762,1.202036348,0.702837996,0.601266458,0.041777092,0.064659579,3.975210617,3.48235491,2.917575671,2.649746731,2.581386236,2.208127074,1.9870539,1.946149427,1.81022204,1.710761537,1.482850061,1.356318433,0.97833832,0.855530111,0.371316286,0.302235761,4.052225737,3.591895118,3.13842837,2.888764309,2.846764241,2.528275424,2.323045549,2.287851278,1.702500023,1.56825278,1.29252419,1.144712786,0.58457329,0.490407594,0.096370225,0.223518493,3.948571827,3.568673693,3.013287887,2.70411647,2.625132035,2.354717724,2.049263819,1.981485737,1.829663556,1.683811233,1.440567028,1.267377681,0.818253303,0.690053546,0.218377201,0.195744031,0,0,0,2,2,2,2,4,0,0,0,0.27101751,0.672060821,1.140413984,0,0,0.214650184,0.510853727,0.813408446,1.099292352,0,0.275377538,0,0.87191858,0,0.208241569,0,2.53832181,4.483122167,6.036016505,1.989786073,3.329056312,4.197373466,8.29252874,5.754020195,5.776908128,5.034805569,4.686194486,3.564336147,2.422948029,1.505909631,0.691044062,0.411001443,0.262586733,0.157337674,0.097629052,0.06364886,0.041066916,0.026891243,7.878315178,5.110990332,4.875081908,4.131526387,3.646898872,2.612887827,1.653565013,0.949965815,0.656526265,0.365070738,0.221594632,0.1291102,0.07597706,0.046658711,0.028026526,0.016963675,16.33462243,27.10269483,25.80392157,26.08,18.38843593,211.1968192,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,3.01718,50.168,86.3358262,104.5132983,172.6716524,14.38930437,86.3358262,0.061671074,0.005139256,-3.343128334,206.7008757,17.22507298,6.397527244,125,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,6,6,0,2,0,0,0,0,0,0,0,0,2,0,2,0,2,0,4,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.402222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.473333333,0,0,1.884930556,1.916180556,0,0.473333333,0,0,0,0,0,0,0,0,4.620509259,0,2.847777778,0,5.087407407,0,3.796157407,0,0,3.314814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.641481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.235138889,0,0,0.281180556,0.304166667,0,0.235138889,0,0,0,0,0,0,0,0,2.298703704,0,1.384537037,0,2.539953704,0,0.928194444,0,0,1.641481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.547453704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.238194444,0,0,0.333680556,0.333680556,0,0.238194444,0,0,0,0,0,0,0,0,2.321805556,0,1.463240741,0,2.547453704,0,0.998796296,0,0,1.673333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.66666667,1.638888889,0.333680556,2.547453704,0.009097222,0.928194444,5.939140972,0.405138889,0.547453704,3.429166667,0.405138889,0.547453704,3.429166667,6,0.5,0,0,0.47143,0.7,0.45,0.45,0.7,0.02143,0.02143,0,0,0.71429,0,0,0.16667,0.5,0,9,0.75,7,0.58333,2,0.16667,-5,-0.41667,0,0,12.46432,1.03869,14.93641,2.47209,0.20601,4.71814,0.39318,5.75398,1.03584,0.08632,0.16002,0.01333,0.41802,0.03483,0.357142857,64,0,0,0,0,0,0,0.666666667,0.985228136,2.448145765,3.655045547,3.9677201,4.324862958,4.324862958,27.58638781,68.54808141,102.3412753,111.0961628,121.0961628,121.0961628,0.204941834,0.509250056,0.760302829,0.8253437,0.899634628,0.899634628,3.822126786,2.359209158,1.152309375,0.839634822,0.482491964,0.482491964,0.197045627,0.489629153,0.731009109,0.79354402,0.864972592,0.864972592,6.75154531,20.89229659,23.97530309,26.6458904,27.00582791,27.00582791,45.10106829,26.63930548,21.66777159,17.73814536,16.55127096,16.55127096,7.408163265,2.272727273,0.87890625,0,2,0,2.78,1.3876,0.166666667,2.472819013,4.246635601,0,2.182247272,12.95827778,0,7.944178808,0,0,0,0,0,0,0,0,0,0,0,0.003,0.151,0.168,0.573,0.892,5.752,22,32,48,56,59,56,46,25,4,374,2.833213344,3.36729583,3.784189634,4.276666119,4.532599493,4.744932128,4.890349128,4.912654886,4.418840608,2.708050201,6.606650186,1.975935829,0.5,3,0,0,3,0,0,0,0,0,0,0,0,3,0,0,1,0,1,1,0,0,0,0,6,0,3,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.142857143,0,3,6,1,3,1.555555556,1.201388889,0.568333333,0.278055556,0,0,0,0,0,0.214285714,0.070707071,0.080092593,0.063148148,0.055611111,0,0,0,0,0,0.483844637,29.23358554,42.39094894,58.46717108,4.872264257,29.23358554,0.062323765,0.005193647,-3.330494959,85.55401726,7.129501438,5.338977549,0,173.7659807,4.584962501,4.290459441,5.198497031,6.142037406,7.072421901,8.017307508,8.954027759,9.897922094,10.83693034,11.78000934,98.18961283,3.36729583,0,4.762173935,3.433987204,6.343880434,5.860786223,8.026496939,8.002694162,9.771611931,10.113789,160.1252005,5.718757161,24.96202421,2.080168684,0,0,0,170,15,3.846,72,1.284842329,2.211557796,3.071612419,3.854066604,4.729700677,5.671246553,6.412832187,7.737564766,0,0,107.01396,140.1073732,116.9776934,92.08065133,94.65416319,73.68305736,29.93744882,7.861861006,0,0,361.1074892,504.4849044,518.296567,466.2898918,495.6856981,546.2165496,375.9897769,240.5124857,0,0,9.437688503,16.01515634,21.98845292,27.06046628,32.93770762,39.64992066,43.92732993,51.98455033,0,0,2.590145918,3.770744415,4.24378274,4.116826467,4.511419257,5.315439182,4.263851741,3.440221147,0,0,178.5181078,323.2646625,464.9699637,623.129868,785.6145711,926.9436317,1118.702184,1430.812309,0,0,2.717109976,4.108960873,5.400847146,5.958550745,7.141054364,8.900695823,8.524593995,7.737564766,0,0,0.53154581,0.780423417,0.892545176,0.878768849,0.969180425,1.150873054,0.947252441,0.792326632,0,0,338.666437,180.8353259,11.37192566,49.02844763,-26.17937397,-2.658847579,289.6379893,207.0146999,14.03077323,0.873538575,0.466437224,0.029332153,0.126461425,-0.067525714,-0.006858093,131.2992452,70.10893081,4.408837404,19.00807834,-10.14960937,-1.030821605,0.107608764,0.152333103,2.206747855,1.485107904,387.6948846,0,1,0,926.7757349,30.44299156,9.74970671,1082.192937,32.896701,10.26679519,1782.59224,42.22075603,12.125063,1.221936891,1.164765232,816.3632676,731.6255457,216.1715931,1.115821163,3.776459505,3.384466641,4.453675238,4.406196027,8.520002394,0.93364125,4.625834802,8.733527754,5.767565302,16.75890956,14.75542414,17.89393949,13.55456923,10.85026443,7.455598424,6.517565265,3.312268583,3.203068536,3.372736199,2.534238132,1.025634759,1.069935151,9.86E-11,1.95E-42,7.45E-96,5.49E-171,7.80E-268,0,0,0,0,0,0,0,0,0,0.388314377,8.733308036,2.436072857,8.727271628,2.358438673,2.412201161,1.786370972,1.10867029,0.435869814,0.788518339,1.784495079,0.16745142,0.999156605,0.062542397,0.007666459,0.007535641,6.95E-13,1.38E-44,5.25E-98,3.87E-173,5.49E-270,0,0,0,0,0,0,0,0,0,1.253282637,8.733323966,3.050559643,10.06414303,4.597605165,4.749878866,3.253883399,2.42907867,1.531623478,1.573228479,2.067054051,0.607342539,1.314574018,0.300825116,0.076413503,0.078527187,7.24E-12,1.43E-43,5.47E-97,4.03E-172,5.72E-269,0,0,0,0,0,0,0,0,0,4.366416838,8.733504073,5.540427188,16.16018375,13.89342931,16.6551941,12.50348823,10.01755399,6.90659286,6.030739295,3.208376784,2.953643094,3.167612176,2.28873471,0.91412702,0.953292957,8.79E-11,1.74E-42,6.64E-96,4.89E-171,6.95E-268,0,0,0,0,0,0,0,0,0,1.84705623,8.733343488,3.491846289,11.07169881,6.221222455,6.598831222,4.538794992,3.533858076,2.383922695,2.226135894,2.269719378,0.962683434,1.581301768,0.543451813,0.164890638,0.170571543,1.57E-11,3.11E-43,1.19E-96,8.75E-172,1.24E-268,0,0,0,0,0,0,0,0,0,5.586342757,8.733627053,6.634882073,19.0972516,18.0640202,22.81082439,17.82166631,14.20175932,9.623732879,8.474591568,3.708699108,4.1987771,4.200133775,3.550170181,1.494347519,1.560399864,1.44E-10,2.85E-42,1.09E-95,8.01E-171,1.14E-267,0,0,0,0,0,0,0,0,0,2.959942236,8.105061395,3.76720146,12.00307266,8.897758552,9.999667233,7.160992964,5.687967786,3.993178122,3.593886551,3.303918156,1.812101948,2.708897457,1.159951619,0.383995295,0.398344141,3.67E-11,7.27E-43,2.78E-96,2.04E-171,2.90E-268,0,0,0,0,0,0,0,0,0,5.552465755,1.608805851,0.880802288,0.6904271,0.200048628,0.471475974,0.47625777,0.342576423,8.042073894,15.24050381,31.15064309,0.53564065,1.290310166,4.164067918,0.945469495,0.414122877,0.753860248,0.171167205,0.268649652,0.167068234,0.07527044,5.523660291,6.052975529,13.20703725,0.630790372,0.510988326,4.646198765,1.180250092,0.57839087,0.725419989,0.184274727,0.332238394,0.260006125,0.147237698,6.404839728,8.853641348,18.43018951,0.588129984,0.739482217,5.51020737,1.589111549,0.866853748,0.69170072,0.199482438,0.464407253,0.465058944,0.331776316,7.966172668,14.91040539,30.46703915,0.53755108,1.261242513,4.887968923,1.295994773,0.659796914,0.714222662,0.189368806,0.366856006,0.31263665,0.191810268,6.84376061,10.41494234,21.43837268,0.571333993,0.871302925,5.687988351,1.671806913,0.925447685,0.686520406,0.201781278,0.494527303,0.512876699,0.378306538,8.285242949,16.32032374,33.4058507,0.529780609,1.38571054,5.54498289,1.593019772,0.866862853,0.692701568,0.199006438,0.470264251,0.46757614,0.33165479,8.004865515,15.02093673,30.6830336,0.539052351,1.269495181 +UMLYSI0119,L,isopropylbenzene,CC(C)C1=CC=CC=C1,aromatic,C9H12,98-82-8,7406,PubChem,,187.6,0,1.7807,3.17089249,44.0035,23.841516,6,6,21,9,12,0,9,0,0,0,0,0,0,0,0,0,1310.569857,1443.662145,1823.036387,1623.322017,1039.238765,522.71285,110.065536,6.096384,0,4184.657049,5188.491512,7025.184097,7105.641586,5452.256084,3409.632809,1321.981609,186.5024666,0,148.486212,153.276228,258.491468,320.107716,316.42034,250.693832,144.281088,40.310784,0,30.43545486,38.46263172,54.50291932,58.49838111,48.45230132,32.73540406,14.68832224,2.667677429,0,3360.161029,2978.619777,5413.572236,6971.511966,7235.800254,5968.477003,3628.909858,1109.505912,0,44.55555556,53.55555556,77.66666667,90.66666667,82,59.33333333,29,6,0,62.40808843,68.74581643,50.63989964,36.0738226,23.09419478,14.51980139,5.241216,1.016064,0,199.2693833,247.0710244,195.1440027,157.9031463,121.1612463,94.71202247,62.95150517,31.08374443,0,7.070772,7.298868,7.180318556,7.1135048,7.031563111,6.963717556,6.870528,6.718464,0,1.449307374,1.831553891,1.513969981,1.299964025,1.076717807,0.909316779,0.699443916,0.444612905,0,160.0076681,141.839037,150.3770065,154.9224881,160.7955612,165.7910279,172.8052313,184.917652,0,2.121693122,2.55026455,2.157407407,2.014814815,1.822222222,1.648148148,1.380952381,1,0,0.051174327,-0.004191973,-0.009797429,-0.010107486,-0.015183945,0.001362904,0.003606133,0.008724633,0,622.6251891,3.91E-13,4.941469755,-192.7173204,-210.0124646,-98.8293951,51.88543243,133.4196834,0,1157.798126,-2.84E-14,9.188874018,-358.3660867,-390.5271458,-183.7774804,96.48317719,248.0995985,0,0.121968,1.88E-15,9.68E-04,-0.037752,-0.04114,-0.01936,0.010164,0.026136,0,5.175896322,1.02E-14,0.041078542,-1.602063147,-1.745838045,-0.821570845,0.431324694,1.10912064,0,28.11555097,4.40E-14,0.223139293,-8.702432443,-9.48341997,-4.462785868,2.342962581,6.024760922,0,4.507936508,-0.761904762,0.859410431,-0.739229025,-1.580498866,-0.902494331,-1.44E-15,0.870748299,0,0.002436873,-2.00E-04,-2.72E-04,-2.25E-04,-3.37E-04,3.79E-05,1.72E-04,0.001454105,0,29.64881853,1.86E-14,0.137263049,-4.282607121,-4.666943658,-2.745260975,2.470734878,22.2366139,0,55.13324411,-1.35E-15,0.2552465,-7.963690816,-8.678381017,-5.10493001,4.594437009,41.34993308,0,0.005808,8.94E-17,2.69E-05,-8.39E-04,-9.14E-04,-5.38E-04,4.84E-04,0.004356,0,0.246471253,4.84E-16,0.001141071,-0.035601403,-0.038796401,-0.022821412,0.020539271,0.18485344,0,1.33883576,2.09E-15,0.006198314,-0.193387388,-0.210742666,-0.123966274,0.111569647,1.00412682,0,0.214663643,-0.036281179,0.023872512,-0.016427312,-0.035122197,-0.025069287,-6.87E-17,0.145124717,0,-0.081915544,-0.111680355,-0.092171743,-0.138464762,0.015535664,0.070467622,0.596709655,0,6.28E-16,0.00462963,-0.144444444,-0.157407407,-0.092592593,0.083333333,0.75,0,-2.45E-17,0.00462963,-0.144444444,-0.157407407,-0.092592593,0.083333333,0.75,0,1.54E-14,0.00462963,-0.144444444,-0.157407407,-0.092592593,0.083333333,0.75,0,1.96E-15,0.00462963,-0.144444444,-0.157407407,-0.092592593,0.083333333,0.75,0,1.56E-15,0.00462963,-0.144444444,-0.157407407,-0.092592593,0.083333333,0.75,0,-0.169014085,0.11120892,-0.076525822,-0.163615023,-0.116784038,-3.20E-16,0.676056338,0,1.134820555,0.990588833,1.065844153,1.063182194,0.978397925,0.846045967,0.28534903,0,1.111111111,1.026234568,1.12345679,1.080246914,0.972222222,0.740740741,0,0,1.111111111,1.026234568,1.12345679,1.080246914,0.972222222,0.740740741,0,0,1.111111111,1.026234568,1.12345679,1.080246914,0.972222222,0.740740741,0,0,1.111111111,1.026234568,1.12345679,1.080246914,0.972222222,0.740740741,0,0,1.111111111,1.026234568,1.12345679,1.080246914,0.972222222,0.740740741,0,0,1.302816901,0.821596244,1.024256651,1.139280125,1.054381847,0.845070423,0,0,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,32.26852518,16.13426259,24.14735686,32.26852518,3.585391687,16.13426302,3.55E-15,0.21536973,0.02392997,-1.381859148,70.36797817,7.818664241,3.828364474,40.45136923,19.91583039,30.72690265,40.39766553,4.488629503,19.9158304,-0.161111111,0.370015917,0.04111288,-0.894788329,35.86776469,3.985307188,3.221855075,0,11.85,12.15009716,-0.20991693,0.090203616,6.07534375,8.758381125,9,21,18,15,3,3,0,0,0,6,13.118484,3.794979351,3.215828339,2.619181914,2.470833146,2.333552793,1.260641077,0.941428501,0.729217022,1.994710453,1.673106271,1.249629723,1.082250302,0.969383414,0.464978854,0.310513972,0.230270252,3.806876826,3.245226722,2.645815032,2.501835524,2.405454588,1.356365801,1.053336623,0.860003957,1.961466708,1.605357719,1.134540686,1.007167592,0.891855888,0.318671338,0.150156259,0.061869484,3.861289558,3.37839396,2.771820215,2.704236987,2.6430235,1.756172129,1.517793787,1.383146172,1.872633866,1.405550007,0.798620231,0.76031856,0.672110206,0.169275876,0.396843083,0.52344722,3.815743304,3.267124209,2.665925019,2.524945597,2.457539916,1.426031146,1.134811365,0.953928232,1.941179501,1.562024883,1.058262671,0.960278991,0.84316282,0.220705965,0.041902902,0.052494885,3.889291755,3.444858672,2.838982085,2.838078588,2.714479928,1.934748586,1.721464227,1.604929216,1.847140569,1.34415258,0.738564276,0.631337262,0.606526415,0.341130169,0.594311107,0.740644743,3.827769307,3.253330133,2.736627811,2.560684849,2.546278942,1.438457997,1.240457652,1.057756794,1.941032174,1.538234426,0.958043648,0.876967229,0.792725102,0.168568392,0.076352355,0.172031066,0,0,0,5,1,2,0,1,0,0,0,0,0.102062073,0.058925565,0,0,0,0.032075015,0.018518519,0.5,0,0.166666667,0,0.384900179,0,0.096225045,0,1.040440115,1.054737854,1.040440115,0.636894534,0.510897357,0.424596356,6.690234444,4.304530453,3.642107032,2.592638956,1.800833459,1.250443623,0.451184464,0.23570226,0.743359383,0.478281161,0.331100639,0.216053246,0.150069455,0.104203635,0.075197411,0.058925565,5.964101615,3.354059275,2.565384141,1.466239158,0.837939098,0.478822342,0.165337097,0.074074074,0.662677957,0.372673253,0.23321674,0.122186597,0.069828258,0.039901862,0.027556183,0.018518519,12.25096682,20.32702112,19.35294118,19.56,13.79132695,158.3976144,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,2.81,40.531,36.08872406,51.75280153,72.17744812,8.019716458,36.08872406,0.19041988,0.021157764,-1.492671377,35.89962077,3.988846752,3.222654059,69,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,3,0,0,5,0,0,0,0,0,0,0,0,2,0,0,0,0,5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.93407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.036805556,0,0.93125,0,0,2.036805556,0,0,0,0,0,0,0,0,4.407407407,0,0,0,0,10.51972222,0.658518519,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.390972222,0,0.285972222,0,0,0.390972222,0,0,0,0,0,0,0,0,2.203703704,0,0,0,0,2.0475,0.658518519,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.157407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.426111111,0,0.359305556,0,0,0.426111111,0,0,0,0,0,0,0,0,2.203703704,0,0,0,0,2.157407407,0.658518519,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17,1.888888889,0.426111111,2.203703704,0.131944444,0.658518519,5.612137685,0.674814815,0.203703704,1.854259259,0.674814815,0.203703704,1.854259259,4.5,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0.22222,0.22222,0,10.5,1.16667,4.5,0.5,6,0.66667,1.5,0.16667,0,0,5.44402,0.60489,9.97476,4.53073,0.50341,2.34821,0.26091,4.30452,1.95631,0.21737,0.10948,0.01216,0.19548,0.02172,0.285714286,9,0,0,0,0,0,0,0.333333333,0.985228136,2.255614308,2.684017281,3.141619208,3.368042423,3.141619208,20.68979086,47.36790048,56.3643629,65.97400337,70.72889087,65.97400337,0.224307135,0.513536271,0.611070882,0.715253226,0.766803056,0.715253226,3.407089287,2.136703114,1.708300142,1.250698215,1.024275,1.250698215,0.214882485,0.491959162,0.585395689,0.685200633,0.734584508,0.685200633,6.75154531,15.84138577,18.81429787,21.76436413,21.99255912,19.27548055,33.82580122,27.3383201,23.25490662,19.18539608,18.60971788,22.06378703,7.111111111,3.239669421,2,3,6,3,2.45,1.1391,0.5,2.68246152,2.828427125,0,6.083643419,4.745102806,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.151,0.144,0.514,0.649,4.19,11,12,12,12,6,4,0,0,0,75,2.564949357,3.020424886,3.457892725,3.852803646,4.251170232,3.595598464,3.446011397,0,0,0,5.534870605,3.365,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,3,0.333333333,0,3,5,0.666666667,1.5,0.888888889,0.4375,0.191111111,0.125,0,0,0,0,0,0.166666667,0.080808081,0.048611111,0.038222222,0.0625,0,0,0,0,0,0.396808081,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,0,133.0544855,4.169925001,3.713572067,4.465908119,5.252273428,6.02827852,6.816735881,7.598399329,8.386400901,9.169830829,9.957265258,79.38866433,2.944438979,0,4.143134726,0,5.556828062,0,7.055312843,0,8.590257762,8.836955157,120.0939004,5.718757161,17.52861439,1.947623821,0,0,0,88,9,3.442,40,1.234633511,2.165595806,2.983279347,3.728956613,4.441743034,5.453257175,6.221758101,0,0,0,94.43903682,119.629923,113.1596629,96.02638748,70.40193768,28.28779332,6.321704423,0,0,0,327.3861275,449.1250406,489.136045,478.3676264,447.7327491,341.0739967,193.3955387,0,0,0,9.042027763,15.60196379,21.2715503,26.27358154,31.03335007,37.4561784,41.80065782,0,0,0,2.382529912,3.434617978,3.995250006,4.171856971,4.235013524,3.796521277,2.766273943,0,0,0,173.2140676,322.0102326,458.4498113,595.8781709,728.4394239,943.1939187,1150.5129,0,0,0,3.230802684,4.832721108,6.137552208,6.955271635,7.585330914,7.504189084,6.221758101,0,0,0,0.490292779,0.71399969,0.840509935,0.888245297,0.913729154,0.840621765,0.63710803,0,0,0,256.9475906,124.6147701,10.47614321,79.50219089,-38.55707391,-4.713928236,177.4453998,163.1718441,15.19007145,0.763702653,0.370381486,0.031137316,0.236297347,-0.114599789,-0.014010793,86.44996074,41.92661219,3.524696096,26.74849476,-12.97251909,-1.586000125,0.127917102,0.12730695,1.593170819,1.72156171,336.4497815,0,1,0,664.8026547,25.78376727,8.727655225,782.1086491,27.96620548,9.213451688,1129.49505,33.6079611,10.41425268,1.805695877,1.805695877,502.7228234,402.7110761,147.8383833,1.248346155,3.400489185,2.723995401,4.030673812,3.785524729,6.66215613,0.759902948,3.755219095,3.952947272,4.388315065,10.82161521,4.574289234,4.99852406,5.171874534,5.320057409,3.837949899,5.215262055,2.610180677,1.506570157,3.87E-05,9.57E-31,4.65E-78,4.44E-147,8.32E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0.315259036,3.77101797,0.334370755,5.054835437,0.974736133,1.353166965,1.020806147,0.91731173,0.897453671,0.342837866,0.15213095,0.010610897,2.73E-07,6.74E-33,3.27E-80,3.12E-149,5.86E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,1.017428063,3.783175183,1.101092723,5.721823913,1.320026181,2.031311455,1.64849649,1.650915924,1.317329081,1.169217139,0.535195005,0.110573726,2.84E-06,7.02E-32,3.41E-79,3.26E-148,6.11E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,3.544627149,3.932973147,4.118635497,10.28810849,4.216150725,4.75202677,4.840050854,4.992121078,3.594135604,4.857476968,2.417716891,1.342326887,3.45E-05,8.52E-31,4.14E-78,3.95E-147,7.41E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,1.499445135,3.798937343,1.645468523,6.331160001,1.672694369,2.516418488,2.144599286,2.203530862,1.659107826,1.786438621,0.833393919,0.240180908,6.17E-06,1.53E-31,7.41E-79,7.07E-148,1.33E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.534946345,4.036935697,5.411228759,13.00185896,6.056749742,5.937683334,6.488688788,6.600570706,4.813123721,6.607535578,3.370456835,2.197190985,5.65E-05,1.40E-30,6.78E-78,6.47E-147,1.21E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,2.052948038,3.007962276,2.169594293,6.694594516,2.251300059,3.210094238,2.867500263,2.767303992,2.194855449,2.576022586,1.219167492,0.422256688,1.09E-05,2.68E-31,1.30E-78,1.24E-147,2.33E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,4.201391824,1.817859552,0.483541124,0.646090403,0.279550601,0.564426063,0.573958078,0.327010915,6.5027925,10.54809584,20.74395314,0.469135604,1.465395056,3.280607491,1.031995626,0.200532498,0.726902041,0.228664883,0.344300516,0.184909211,0.055843114,4.513135614,4.250389655,9.442442595,0.590353062,0.585052841,3.602728895,1.307015856,0.299561155,0.691594804,0.250900193,0.415153313,0.296699129,0.125027984,5.209305907,6.179592601,12.7994792,0.537392205,0.836880426,4.173633807,1.794181195,0.475012209,0.647795396,0.278477311,0.55699891,0.559110908,0.315534061,6.442827211,10.32304028,20.32288018,0.471693094,1.431643879,3.76320271,1.443984599,0.348885291,0.677313452,0.25989304,0.452921992,0.362168862,0.169802397,5.556072599,7.250717812,14.70263544,0.515970177,0.984893251,4.290324481,1.893716656,0.510865551,0.640834097,0.282859305,0.588552919,0.622827052,0.365164119,6.694906688,11.28387251,22.12938756,0.461251145,1.57654409,4.178567342,1.795652595,0.474635957,0.647954833,0.278445142,0.558315455,0.560036332,0.315085661,6.448855894,10.33883489,20.34900554,0.471932249,1.433437448 +UMLYSI0120,L,"1-methyl-1,4-cyclohexadiene",CC1=CCC=CC1,aliphatic,C7H10,4313-57-9,78006,PubChem,,175.6,0,1.7656,3.11734336,34.5392,18.98793,0,0,17,7,10,0,7,0,0,0,0,0,0,0,0,0,1020.009487,1130.919727,1365.013784,1006.896077,354.234553,62.653248,3.048192,0,0,3275.455757,4111.984476,5494.076414,4974.112896,2756.642675,894.1188875,93.25123329,0,0,119.968252,123.959932,214.916192,248.437364,228.918052,122.529024,20.155392,0,0,23.96842905,30.6577431,43.46451779,42.66830946,27.71941544,10.67875791,1.333838715,0,0,2736.737013,2418.78597,4542.02642,5450.213942,5535.437552,3201.337319,554.7529561,0,0,33.27777778,40.16666667,61.33333333,65.58333333,48.16666667,22,3,0,0,60.00055806,66.52468982,45.50045947,28.76845934,10.73438039,3.480736,1.016064,0,0,192.673868,241.8814398,183.1358805,142.1175113,83.5346265,49.67327153,31.08374443,0,0,7.056956,7.291760706,7.163873067,7.0982104,6.936910667,6.807168,6.718464,0,0,1.409907591,1.803396653,1.44881726,1.219094556,0.839982286,0.593264328,0.444612905,0,0,160.9845302,142.2815276,151.4008807,155.7203983,167.7405319,177.8520733,184.917652,0,0,1.95751634,2.362745098,2.044444444,1.873809524,1.45959596,1.222222222,1,0,0,0.04524038,9.51E-04,-0.018393701,-0.019265792,8.76E-05,0.009289661,0.004710606,0,0,498.5070959,4.19E-13,-60.74246126,-321.3066744,-98.86359212,170.0788915,61.58028831,0,0,926.9952318,-1.56E-13,-112.9532005,-597.4834813,-183.8410712,316.2689614,114.5111757,0,0,0.097654118,1.08E-15,-0.011899031,-0.062941772,-0.019366699,0.033317287,0.012063156,0,0,4.144099996,2.22E-15,-0.504953361,-2.671029157,-0.821855125,1.413869411,0.511918235,0,0,22.51081695,6.71E-14,-2.742914671,-14.50907278,-4.464330085,7.680161078,2.780747976,0,0,3.055555556,-0.277777778,-0.444444444,-1.75,-0.055555556,0.666666667,0.333333333,0,0,0.002661199,5.60E-05,-6.13E-04,-5.50E-04,2.66E-06,5.16E-04,0.001570202,0,0,29.32394682,2.47E-14,-2.024748709,-9.180190697,-2.995866428,9.448827308,20.52676277,0,0,54.52913128,-9.20E-15,-3.765106684,-17.07095661,-5.570941551,17.57049786,38.1703919,0,0,0.00574436,6.38E-17,-3.97E-04,-0.001798336,-5.87E-04,0.00185096,0.004021052,0,0,0.243770588,1.31E-16,-0.016831779,-0.076315119,-0.024904701,0.078548301,0.170639412,0,0,1.324165703,3.94E-15,-0.091430489,-0.414544936,-0.13528273,0.426675615,0.926915992,0,0,0.179738562,-0.016339869,-0.014814815,-0.05,-0.001683502,0.037037037,0.111111111,0,0,0.021029731,-0.230393667,-0.206843323,9.98E-04,0.193932252,0.590035582,0,0,8.41E-16,-0.069047619,-0.313061224,-0.102164502,0.322222222,0.7,0,0,-1.69E-16,-0.069047619,-0.313061224,-0.102164502,0.322222222,0.7,0,0,1.11E-14,-0.069047619,-0.313061224,-0.102164502,0.322222222,0.7,0,0,5.36E-16,-0.069047619,-0.313061224,-0.102164502,0.322222222,0.7,0,0,2.98E-15,-0.069047619,-0.313061224,-0.102164502,0.322222222,0.7,0,0,-0.090909091,-0.082424242,-0.278181818,-0.009366391,0.206060606,0.618181818,0,0,1.061941562,1.348149791,1.245480502,0.743660424,0.4944347,0.156687857,0,0,1.142857143,1.100952381,1.276734694,0.941991342,0.431746032,0,0,0,1.142857143,1.100952381,1.276734694,0.941991342,0.431746032,0,0,0,1.142857143,1.100952381,1.276734694,0.941991342,0.431746032,0,0,0,1.142857143,1.100952381,1.276734694,0.941991342,0.431746032,0,0,0,1.142857143,1.100952381,1.276734694,0.941991342,0.431746032,0,0,0,1.232085561,1.095757576,1.286233766,0.808815427,0.581818182,0,0,0,20.96857592,10.48428796,15.86492594,20.96857592,2.995510846,10.48439384,-3.55E-15,0.026367568,0.003766795,-2.544934354,33.20649335,4.743784764,2.451921808,20.96857592,10.48428796,15.86492594,20.96857592,2.995510846,10.48439384,-3.55E-15,0.026367568,0.003766795,-2.544934354,33.20649335,4.743784764,2.451921808,20.96857592,10.48428796,15.86492594,20.96857592,2.995510846,10.48439384,-3.55E-15,0.026367568,0.003766795,-2.544934354,33.20649335,4.743784764,2.451921808,20.96857592,10.48428796,15.86492594,20.96857592,2.995510846,10.48439384,-3.55E-15,0.026367568,0.003766795,-2.544934354,33.20649335,4.743784764,2.451921808,20.96857592,10.48428796,15.86492594,20.96857592,2.995510846,10.48439384,-3.55E-15,0.026367568,0.003766795,-2.544934354,33.20649335,4.743784764,2.451921808,20.96857592,10.48428796,15.86492594,20.96857592,2.995510846,10.48439384,-3.55E-15,0.026367568,0.003766795,-2.544934354,33.20649335,4.743784764,2.451921808,23.20093587,11.38783498,17.44497023,23.15059573,3.307227961,11.38787904,-0.117460317,0.017982094,0.002568871,-2.812865139,26.63577334,3.805110477,2.297578622,0,11.9,12.10010405,-0.154648599,0.057303147,6.063307385,7.939133584,7,17,15,15,5,2,2,0,0,2,10.93207,3.696563336,2.959142225,2.602928275,2.150087585,1.345102307,0.780319516,0.341958188,0.083923071,1.960671419,1.448380004,1.220729624,0.953837216,0.526132333,0.262812411,0.083923071,0.083923071,3.713032358,2.986246395,2.644292094,2.214106567,1.439329099,0.909886431,0.47078288,0.270913902,1.918990204,1.368321889,1.131359273,0.854143618,0.383002854,0.096374575,0.270913902,0.270913902,3.787453608,3.117155612,2.828232951,2.478973425,1.832018686,1.426508142,0.958552846,0.943918427,1.802743325,1.145480746,0.865068222,0.528317708,0.094869787,0.481355507,0.943918427,0.943918427,3.725266011,3.006850421,2.674929986,2.26044949,1.507842436,1.002793584,0.561416043,0.399277246,1.893038553,1.318128739,1.074084431,0.788090141,0.287134909,0.016592277,0.399277246,0.399277246,3.825029281,3.187404299,2.918038945,2.597280022,2.0070954,1.645283387,1.207644823,1.207644823,1.768264939,1.082213619,0.781476316,0.414622907,0.263451337,0.695612845,1.153251204,1.207644823,3.735849686,3.086205164,2.668500828,2.335657809,1.572789769,1.137707795,0.650879912,0.552631579,1.879160129,1.230554555,1.056975157,0.685980671,0.181182988,0.162052012,0.552631579,0.552631579,0,0,0,3,1,1,2,0,0,0,0,0,0.102062073,0.102062073,0,0,0,0.048112522,0.048112522,0.288675135,0,0,0,0.204124145,0,0,0,0.40824829,0.433012702,0.40824829,0.262188697,0.234708048,0.19245009,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,4.64626437,2.70030673,1.961707742,1.208888679,0.718010069,0.44004985,0.096225045,0,0.663752053,0.385758104,0.245213468,0.151111085,0.089751259,0.055006231,0.048112522,0,9.709139019,16.43918427,15.62745098,15.8,10.99277246,128.6266647,0.571125825,0.967010839,0.919261822,0.929411765,0.646633674,7.566274392,2.13508,31.591,25.81164286,34.91599912,51.62328572,7.374755103,25.81164286,0.063309915,0.009044274,-1.931799329,26.80913824,3.829876892,2.302119966,45,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,3,0,3,0,0,0,0,0,0,0,0,1,0,2,0,3,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.185185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.025763889,0,0,0,1.077013889,0,1.025763889,0,0,0,0,0,0,0,0,2.170138889,0,2.311342593,0,6.68287037,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331944444,0,0,0,0.315902778,0,0.331944444,0,0,0,0,0,0,0,0,2.170138889,0,1.144675926,0,2.201388889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.263888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.349722222,0,0,0,0.380555556,0,0.349722222,0,0,0,0,0,0,0,0,2.170138889,0,1.166666667,0,2.263888889,0,0,0,0,1.502314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.80952381,0.380555556,2.263888889,0.097222222,1.144675926,3.710944444,0.355324074,0.263888889,1.706018519,0.355324074,0.263888889,1.706018519,3.5,0.5,0,0,0.46471,0.7,0.43333,0.43333,0.7,0.03137,0.03137,0,0,0.71429,0,0,0.14286,0.14286,0,5.5,0.78571,3.5,0.5,2,0.28571,-1.5,-0.21429,0,0,4.67841,0.66834,6.62679,1.94838,0.27834,2.29771,0.32824,3.39384,1.09613,0.15659,0.02016,0.00288,0.10616,0.01517,0.352941176,7,0,0,0,0,0,0,0.428571429,0.977417818,2.254447579,2.939829017,3.337175341,3.4548224,3.4548224,16.6161029,38.32560884,49.9770933,56.7319808,58.7319808,58.7319808,0.239125799,0.551551822,0.719230763,0.816441756,0.845224173,0.845224173,3.110045024,1.833015262,1.147633824,0.7502875,0.632640441,0.632640441,0.230092866,0.530717055,0.692061954,0.785600821,0.813295987,0.813295987,6.779077413,16.40502057,20.1702684,20.57072397,20.68929162,20.68929162,26.64148252,20.20773363,16.18631794,15.31661844,15.07103457,15.07103457,5.142857143,2.34375,1.5,0,2,0,2.23,0.9003,0,1.850535862,1,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.111,0.1,0.453,0.528,3.48,8,8,8,8,2,0,0,0,0,48,2.302585093,2.63905733,2.772588722,3.044522438,3.295836866,1.945910149,0,0,0,0,4.574710979,2,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,0,3,4,0.333333333,1,0.444444444,0.1875,0.111111111,0,0,0,0,0,0,0.142857143,0.055555556,0.0375,0.111111111,0,0,0,0,0,0,0.34702381,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,0,111.998975,3.807354922,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,71.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.388905171,94.07825032,5.534014725,13.67682532,1.953832189,0,0,0,42,5,2.822,30,1.272872388,2.239049153,3.136468968,3.972088997,4.805194246,5.789047079,0,0,0,0,97.38569132,114.6180947,94.73887241,45.08892554,17.01802873,5.882042331,0,0,0,0,337.5765887,443.8086248,462.5095875,343.1028706,240.8952362,179.9452599,0,0,0,0,9.322145488,16.10616944,22.31698578,27.59694785,32.72028862,38.89350439,0,0,0,0,2.456596391,3.442001672,3.93780773,3.418515761,2.86838679,2.573885038,0,0,0,0,178.574503,334.4108787,484.3215382,662.9383708,853.7754777,1070.496993,0,0,0,0,3.112315955,4.749956218,5.996688523,5.920955525,5.899380305,5.789047079,0,0,0,0,0.505531013,0.717311528,0.833866266,0.74376372,0.642611893,0.592798421,0,0,0,0,256.1069528,101.0651389,10.06470414,78.52728269,-30.98850168,-4.428930932,177.5796701,132.0536406,14.49363507,0.765333985,0.302016734,0.030076732,0.234666015,-0.092604098,-0.01323514,85.70215436,33.81985551,3.367994576,26.27791721,-10.36981357,-1.482071916,0.145634669,0.212593273,3.350606661,2.680994466,334.6342355,0,1,0,473.2006678,21.75317604,7.792589213,570.7079655,23.88949488,8.294775662,727.8719183,26.97910151,8.995355292,1.324575519,1.118662213,311.0101368,218.2794547,113.783942,1.424825516,2.733339444,1.918367837,3.633735786,3.915555478,6.020326834,0.537540936,3.034127391,1.257106607,6.946572294,6.816314382,4.189526592,3.696652333,5.618568294,4.331938377,5.943679702,1.232942361,0.963687862,1.02E-10,2.08E-42,8.21E-96,6.24E-171,9.16E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.25476783,1.256961274,0.862063853,1.483719496,1.378109774,0.212814573,0.686724236,0.133231608,0.168397048,0.017297121,0.006787332,7.17E-13,1.47E-44,5.78E-98,4.40E-173,6.45E-270,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.82209437,1.256971307,2.070308221,2.518292347,1.858596647,0.727904851,1.444677157,0.524821851,0.76132593,0.112620502,0.070729237,7.47E-12,1.53E-43,6.02E-97,4.58E-172,6.72E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.86397699,1.257090764,6.562149244,6.470780413,3.984377773,3.414023493,5.228647799,3.910233883,5.382838613,1.104460287,0.858628535,9.06E-11,1.85E-42,7.31E-96,5.56E-171,8.16E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.211546255,1.256984024,2.909746282,3.244505164,2.216163238,1.139705113,2.038844604,0.931839596,1.342327597,0.223431168,0.153633353,1.62E-11,3.32E-43,1.31E-96,9.95E-172,1.46E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.664117739,1.25717315,8.383467753,8.117330883,4.98661011,4.821842327,7.162181844,6.080282408,8.255575444,1.770036015,1.405448177,1.48E-10,3.03E-42,1.20E-95,9.10E-171,1.34E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.682974308,1.26429557,4.055428643,4.345512874,2.340715331,1.675493439,2.808782553,1.613180065,2.317864109,0.410758947,0.294311875,3.11E-11,6.35E-43,2.51E-96,1.91E-171,2.80E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.224532634,1.860033184,0.403199983,0.587585686,0.338941794,0.541902264,0.511580489,0.302619641,5.487765801,8.047834554,15.95388809,0.38979122,1.356102395,2.229924451,1.097469866,0.111894765,0.648367845,0.319097883,0.257024322,0.177819878,0.022792688,3.439289083,2.819592895,6.532719226,0.472551768,0.457636888,2.584183976,1.371161359,0.216072733,0.619497718,0.328703893,0.345990645,0.277936652,0.085810974,4.171418068,4.397975489,9.335011249,0.429246578,0.709738271,3.195363199,1.837898354,0.394702696,0.588685381,0.338598095,0.531985239,0.499493021,0.289859196,5.427964249,7.859394668,15.60535026,0.390925213,1.321337455,2.758144396,1.504636855,0.267042195,0.608885629,0.332162362,0.394714557,0.33477919,0.131588088,4.529823445,5.288348168,10.92639825,0.413328443,0.861081835,3.317646504,1.930617012,0.430310084,0.584239413,0.33998274,0.574197443,0.551076033,0.345195631,5.6785736,8.663485495,17.09824027,0.386333229,1.470469107,3.202423553,1.835188975,0.394651989,0.589519075,0.337831298,0.53407034,0.498048652,0.289602806,5.432264517,7.8651562,15.61681113,0.39102556,1.321721798 +UMLYSI0121,L,styrene,C=CC1=CC=CC=C1,aromatic,C8H8,100-42-5,7501,PubChem,,174,0,1.9153,3.66837409,39.8829,19.414344,6,6,16,8,8,0,8,0,0,0,0,0,0,0,0,0,1162.24148,1250.969672,1468.892385,1209.658639,620.495067,249.249337,41.401584,2.032128,0,3636.805169,4306.028145,5449.048489,4986.906641,3178.102417,1590.079788,499.6285713,62.16748886,0,114.07184,117.265184,174.229956,206.976508,169.696812,118.229284,54.945216,13.436928,0,25.86810324,31.21955448,41.13433324,40.00668639,27.73754208,15.25415772,5.563697454,0.88922581,0,2493.696065,2239.33523,3469.782525,4447.027168,3786.727196,2831.115954,1383.955903,369.835304,0,43.77777778,50,64.66666667,68,53.66666667,32,12,2,0,72.6400925,78.1856045,61.20384937,41.71236686,25.85396112,14.66172571,5.175198,1.016064,0,227.3003231,269.1267591,227.0436871,171.962298,132.4209341,93.53410519,62.45357141,31.08374443,0,7.12949,7.329074,7.2595815,7.137120966,7.0707005,6.954663765,6.868152,6.718464,0,1.616756452,1.951222155,1.713930552,1.37954091,1.15573092,0.897303395,0.695462182,0.444612905,0,155.8560041,139.9584519,144.5742719,153.3457644,157.7802998,166.5362326,172.9944879,184.917652,0,2.736111111,3.125,2.694444444,2.344827586,2.236111111,1.882352941,1.5,1,0,0.060116247,-0.007827441,-0.01828461,-6.73E-04,-0.016138408,0.001887748,0.004369269,0.006607999,0,484.264036,2.84E-13,-121.066009,-90.79950675,-181.5990135,30.26650225,60.5330045,60.5330045,0,900.5096538,0,-225.1274134,-168.8455601,-337.6911202,56.28185336,112.5637067,112.5637067,0,0.094864,1.10E-15,-0.023716,-0.017787,-0.035574,0.005929,0.011858,0.011858,0,4.025697139,2.66E-15,-1.006424285,-0.754818214,-1.509636427,0.251606071,0.503212142,0.503212142,0,21.86765075,3.20E-14,-5.466912688,-4.100184516,-8.200369033,1.366728172,2.733456344,2.733456344,0,5.75,-1.388888889,-1.625,0.744791667,-1.319444444,-0.053819444,0.180555556,0.586805556,0,0.003757265,-4.89E-04,-7.62E-04,-2.32E-05,-6.72E-04,1.11E-04,5.46E-04,0.003304,0,30.26650225,1.78E-14,-5.044417042,-3.131017474,-7.566625562,1.780382485,7.566625562,30.26650225,0,56.28185336,0,-9.380308893,-5.822260692,-14.07046334,3.310697256,14.07046334,56.28185336,0,0.005929,6.85E-17,-9.88E-04,-6.13E-04,-0.00148225,3.49E-04,0.00148225,0.005929,0,0.251606071,1.67E-16,-0.041934345,-0.026028214,-0.062901518,0.014800357,0.062901518,0.251606071,0,1.366728172,2.00E-15,-0.227788029,-0.141385673,-0.341682043,0.080395775,0.341682043,1.366728172,0,0.359375,-0.086805556,-0.067708333,0.025682471,-0.054976852,-0.00316585,0.022569444,0.293402778,0,-0.130205091,-0.202769478,-0.006173602,-0.178968898,0.029554465,0.145360665,0.879362865,0,5.87E-16,-0.166666667,-0.103448276,-0.25,0.058823529,0.25,1,0,0,-0.166666667,-0.103448276,-0.25,0.058823529,0.25,1,0,1.16E-14,-0.166666667,-0.103448276,-0.25,0.058823529,0.25,1,0,6.62E-16,-0.166666667,-0.103448276,-0.25,0.058823529,0.25,1,0,1.46E-15,-0.166666667,-0.103448276,-0.25,0.058823529,0.25,1,0,-0.241545894,-0.188405797,0.071464268,-0.152979066,-0.008809321,0.062801932,0.816425121,0,1.079824717,1.047778526,0.888013533,1.179827091,0.997322345,0.81704671,0.008511861,0,0.9375,1.09375,1.034482759,1.171875,0.882352941,0.703125,0,0,0.9375,1.09375,1.034482759,1.171875,0.882352941,0.703125,0,0,0.9375,1.09375,1.034482759,1.171875,0.882352941,0.703125,0,0,0.9375,1.09375,1.034482759,1.171875,0.882352941,0.703125,0,0,0.9375,1.09375,1.034482759,1.171875,0.882352941,0.703125,0,0,1.25,0.942028986,0.714642679,1.219806763,1.150895141,0.97826087,0,0,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,23.34317042,11.67158521,17.70943037,23.34317042,2.917896302,11.6716227,5.33E-15,0.139124307,0.017390538,-1.577909961,46.73554789,5.841943487,3.075604058,27.86605434,13.72677795,20.99826265,27.76883211,3.471104014,13.72678277,-0.194444444,0.153109648,0.019138706,-1.501280767,43.2491459,5.406143238,3.013581988,0,11.85,12.15008271,-0.207942191,0.092213119,5.479089237,8.298380197,8,16,12,9,1,4,1,0,0,7,8.745656,3.785864566,3.119114842,2.619181914,2.405784561,1.156381864,0.941428501,0.725052607,0.280174019,1.97015401,1.510684438,1.082250302,0.923353579,0.418558502,0.310513972,0.230006578,0.083923071,3.797092469,3.142658279,2.645815032,2.436280005,1.256520403,1.053336623,0.856879173,0.423280306,1.940232039,1.448493337,1.007167592,0.84110369,0.266782494,0.150156259,0.061529565,0.270913902,3.848106914,3.251531273,2.771820215,2.579349753,1.677747189,1.517793787,1.382064135,0.955137705,1.858666052,1.274269266,0.798620231,0.609505433,0.243738908,0.396843083,0.524357009,0.943918427,3.805443782,3.160295577,2.665925019,2.459251261,1.329712097,1.134811365,0.951373269,0.523078219,1.92179759,1.409589943,0.960278991,0.789465099,0.164816966,0.041902902,0.052901622,0.399277246,3.874117747,3.30755171,2.838078588,2.653730538,1.865625664,1.721464227,1.604206803,1.207644823,1.834898222,1.223139785,0.738564276,0.541794863,0.42484266,0.594311107,0.742016485,1.165965378,3.766653884,3.288458759,2.646350658,2.472789285,1.405901381,1.174708269,1.00012017,0.545084816,1.96120136,1.311557416,0.959453141,0.757374811,0.087295333,0.018394213,0.118420625,0.48,0,0,1,6,1,0,0,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.018518519,0.204124145,0,0,0,0.096225045,0,0,0,0.49279928,0.594861352,0.49279928,0.179152493,0.174792465,0.119434995,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,4.671208396,2.607607028,1.614807748,1.035274752,0.589121682,0.33516754,0.082397958,0.02618914,0.58390105,0.325950878,0.179423083,0.103527475,0.058912168,0.033516754,0.02059949,0.01309457,10.16731122,15.55134741,14.90196078,15.04,11.19421796,119.0837988,0.635456951,0.971959213,0.931372549,0.94,0.699638623,7.442737425,2.14689,35.471,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,5,0,0,0,1,7,0,0,0,0,0,0,0,0,0,1,0,0,1,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.66666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0.45,2.25,0,0,0,0.45,3.15,0,0,0,0,0,0,0,0,0,3.630925926,0,0,1.833333333,10.0287963,0,0,0,0,1.173611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.173611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0.45,0.45,0,0,0,0.45,0.45,0,0,0,0,0,0,0,0,0,3.630925926,0,0,1.833333333,1.993055556,0,0,0,0,1.173611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.630925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0.45,0.45,0,0,0,0.45,0.45,0,0,0,0,0,0,0,0,0,3.630925926,0,0,1.833333333,2.020833333,0,0,0,0,1.173611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.66666667,2.083333333,0.45,3.630925926,0.25,1.173611111,4.901300093,0.493055556,0.630925926,1.345185185,0.493055556,0.630925926,1.345185185,4,0.5,0,0,0.5,0.7,0.43333,0.43333,0.7,0.06667,0.06667,0,0,0.71429,0,0,0.125,0.125,0,11.5,1.4375,4,0.5,7.5,0.9375,3.5,0.4375,0,0,2.74153,0.34269,8.02289,5.28136,0.66017,1.36793,0.17099,3.93185,2.56391,0.32049,-0.01785,-0.00223,0.06815,0.00852,0.375,8,0,0,0,0,0,0,0,1,1.530639062,2.280639062,3.125,3.5,3.125,16,24.490225,36.490225,50,56,50,0.25,0.382659766,0.570159766,0.78125,0.875,0.78125,3,2.469360938,1.719360938,0.875,0.5,0.875,0.231378213,0.354156531,0.527690191,0.723056916,0.809823746,0.723056916,6.503912516,12.87158126,17.41272572,23.75978129,22.76369381,18.26369381,28,26.10300624,23.43383437,17,17.5,22,6.125,3.111111111,1.8,2,8,2,2.34,0.9552,0,2.00414513,0.5,0,7.732315986,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.156,0.16,0.593,0.791,3.812,9,10,10,10,4,2,0,0,0,61,2.564949357,2.970414466,3.457892725,3.852803646,4.251170232,3.595598464,3.446011397,0,0,0,5.526945848,4.104508197,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,1,0.125,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,0,113.1220422,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,104.0626003,6.503912516,15.69266546,1.961583183,0,0,0,64,7,2.937,34,1.223143984,2.191162888,3.004142699,3.877279722,4.62405939,5.562832053,6.325978194,0,0,0,103.703345,141.1981378,128.2664022,106.1071097,71.06657574,28.49988778,6.427598708,0,0,0,348.0386033,514.7401536,528.8885067,527.4954839,448.5479303,345.239961,196.6350895,0,0,0,8.990339138,15.93392046,21.4842862,27.43612349,32.22215453,38.19597962,42.50085676,0,0,0,2.488942949,3.851643538,4.231059399,4.558736803,4.267505549,3.851316768,2.812611541,0,0,0,169.5814233,315.0228985,457.3260991,610.4049996,765.1174798,963.1673967,1169.785034,0,0,0,3.927761855,6.018668497,7.187084409,8.784626209,8.962288575,8.361660245,6.325978194,0,0,0,0.510482241,0.796921869,0.886843263,0.968473156,0.922135537,0.853092297,0.647780167,0,0,0,219.7161834,105.1911401,13.04942476,105.1642905,-50.34836961,-6.949340052,114.5518929,155.5395097,19.99876482,0.676298519,0.323784125,0.040166848,0.323701481,-0.154975056,-0.021390452,71.38149779,34.17454744,4.239503301,34.16582453,-16.35720218,-2.257704889,0.130218973,0.204979273,3.531750969,4.654244287,324.8804739,0,1,0,637.4954083,25.24867142,8.60648244,716.6901953,26.77107012,8.949054529,1018.6297,31.91597876,10.06171731,1.900871391,1.900871391,368.2596053,290.9102002,97.06016757,1.265887566,3.794137333,2.997215104,3.630487172,3.785524729,6.992606262,0.847196033,2.884614086,1.014009041,4.066987988,6.276305684,1.0109625,3.585627192,3.799295941,4.525879818,1.530518317,2.425067599,1.499623542,0.203038918,0.994548179,6.59E-12,8.43E-45,2.08E-99,9.89E-176,9.08E-274,0,0,0,0,0,0,0,0,0,0,0,0,0.242216695,1.014008084,0.309496826,0.987959533,0.373309899,2.069769955,1.213767347,1.194756836,0.122975693,0.131996748,0.079671977,0.00143002,0.007004684,4.64E-14,5.94E-47,1.46E-101,6.97E-178,6.39E-276,0,0,0,0,0,0,0,0,0,0,0,0,0.781586336,1.014008271,1.019085033,1.563948485,0.447943909,2.359024596,1.613947194,1.715180083,0.286210354,0.473229722,0.287620853,0.014901908,0.072994209,4.84E-13,6.19E-46,1.53E-100,7.26E-177,6.66E-275,0,0,0,0,0,0,0,0,0,0,0,0,2.722848411,1.014008979,3.816652323,5.77444406,0.952283143,3.485694094,3.595877568,4.265514437,1.400456013,2.2398186,1.383723913,0.180904021,0.886124522,5.88E-12,7.51E-45,1.85E-99,8.82E-176,8.09E-274,0,0,0,0,0,0,0,0,0,0,0,0,1.151846686,1.014008401,1.523237107,2.108839064,0.515664184,2.563575989,1.92653975,2.119802077,0.435106207,0.74513441,0.454687116,0.032368935,0.158553177,1.05E-12,1.34E-45,3.32E-100,1.58E-176,1.45E-274,0,0,0,0,0,0,0,0,0,0,0,0,3.483559569,1.014009273,5.016922797,8.336707167,1.250528584,3.963733918,4.603709072,5.553974947,2.061918317,3.161906464,1.961642333,0.29611318,1.450455049,9.62E-12,1.23E-44,3.03E-99,1.44E-175,1.32E-273,0,0,0,0,0,0,0,0,0,0,0,0,1.49543903,0.904323087,1.783644588,2.349905471,0.695300632,2.683067569,2.066869428,2.726270099,0.633655627,1.021951342,0.656032338,0.046780167,0.2291439,1.52E-12,1.94E-45,4.79E-100,2.28E-176,2.09E-274,0,0,0,0,0,0,0,0,0,0,0,0,3.938520537,1.568156216,0.260291614,0.68294471,0.271920378,0.515722639,0.44003137,0.218828273,5.766968367,7.609557243,14.9841427,0.524417064,1.174582282,2.714091167,0.838198403,0.096013002,0.743932586,0.229750243,0.244897178,0.124453405,0.026382271,3.648302572,2.616012867,6.482739919,0.615898879,0.395732854,3.107333258,1.072212656,0.149313944,0.717817938,0.24768939,0.320996961,0.204408245,0.067387627,4.328859857,3.955786527,8.782118942,0.576726907,0.592792832,3.89671494,1.543189623,0.254741689,0.68427691,0.27098955,0.504829981,0.426019726,0.209095838,5.694646252,7.399140534,14.62564283,0.526415365,1.139945545,3.316473559,1.196883773,0.177395442,0.707023738,0.255158144,0.365662334,0.255176493,0.097171769,4.690752774,4.770082406,10.16499457,0.560535607,0.718010596,4.074820149,1.649565551,0.278370219,0.678824894,0.27480137,0.552044524,0.487302881,0.252119165,6.002755919,8.315181445,16.18905372,0.518237341,1.291466571,3.909379121,1.53733322,0.254358235,0.685727193,0.269656935,0.508055554,0.422781929,0.208717263,5.701070576,7.39543453,14.62520278,0.528590789,1.139554745 +UMLYSI0122,L,toluene,CC1=CC=CC=C1,aromatic,C7H8,108-88-3,1140,PubChem,,170.9,0,1.8498,3.42176004,35.2378,17.654344,6,6,15,7,8,0,7,0,0,0,0,0,0,0,0,0,1017.977359,1106.705551,1314.553304,943.312445,311.816905,56.556864,3.048192,0,0,3213.288268,3882.511243,4972.96246,4307.178581,2225.930359,707.6164209,93.25123329,0,0,106.531324,109.724668,173.008736,192.693812,167.254372,82.21824,20.155392,0,0,23.07920324,28.43065448,38.12111474,35.7667492,21.71110508,8.011080479,1.333838715,0,0,2366.901709,2112.540874,3559.700925,4129.848247,3966.563997,2091.831407,554.7529561,0,0,34.77777778,42,58,58.66666667,39.66666667,16,3,0,0,67.86515727,73.78037007,54.77305433,34.93749796,12.99237104,4.713072,1.016064,0,0,214.2192178,258.8340829,207.2067692,159.5251326,92.74709829,58.96803508,31.08374443,0,0,7.102088267,7.314977867,7.208697333,7.136807852,6.968932167,6.85152,6.718464,0,0,1.538613549,1.895376965,1.588379781,1.324694415,0.904629378,0.66759004,0.444612905,0,0,157.7934473,140.8360583,148.3208719,152.9573425,165.2734999,174.3192839,184.917652,0,0,2.318518519,2.8,2.416666667,2.172839506,1.652777778,1.333333333,1,0,0,0.043872186,7.57E-04,-0.012880025,-0.02024884,-0.005060112,0.01035384,0.005141992,0,0,451.9797669,3.06E-13,-37.12690943,-264.7310063,-93.62438029,90.39595339,79.09645921,0,0,840.4756768,5.68E-14,-69.03907345,-492.2786107,-174.0985331,168.0951354,147.0832434,0,0,0.088539733,9.45E-16,-0.007272907,-0.051858987,-0.018340373,0.017707947,0.015494453,0,0,3.75731733,1.11E-16,-0.308636781,-2.200714436,-0.778301447,0.751463466,0.657530533,0,0,20.40980737,4.71E-14,-1.676519891,-11.95431575,-4.227745812,4.081961474,3.57171629,0,0,3.481481481,-0.37037037,0.222222222,-2,-0.777777778,0.592592593,0.592592593,0,0,0.002924812,5.05E-05,-5.37E-04,-7.50E-04,-2.11E-04,8.63E-04,0.001713997,0,0,30.13198446,2.04E-14,-1.546954559,-9.804852087,-3.901015846,7.532996116,26.3654864,0,0,56.03171179,3.79E-15,-2.876628061,-18.23254114,-7.254105544,14.00792795,49.02774782,0,0,0.005902649,6.30E-17,-3.03E-04,-0.001920703,-7.64E-04,0.001475662,0.005164818,0,0,0.250487822,7.40E-18,-0.012859866,-0.081507942,-0.032429227,0.062621956,0.219176844,0,0,1.360653825,3.14E-15,-0.069854995,-0.442752435,-0.176156076,0.340163456,1.190572097,0,0,0.232098765,-0.024691358,0.009259259,-0.074074074,-0.032407407,0.049382716,0.197530864,0,0,0.017255851,-0.183487905,-0.256412017,-0.072085992,0.295000125,0.586019573,0,0,6.76E-16,-0.051339286,-0.325396825,-0.129464286,0.25,0.875,0,0,6.76E-17,-0.051339286,-0.325396825,-0.129464286,0.25,0.875,0,0,1.07E-14,-0.051339286,-0.325396825,-0.129464286,0.25,0.875,0,0,2.95E-17,-0.051339286,-0.325396825,-0.129464286,0.25,0.875,0,0,2.31E-15,-0.051339286,-0.325396825,-0.129464286,0.25,0.875,0,0,-0.106382979,0.039893617,-0.319148936,-0.13962766,0.212765957,0.85106383,0,0,0.944384683,1.097895847,1.248592783,0.984799144,0.548670436,0.184499874,0,0,1,1.015625,1.25,1.015625,0.625,0,0,0,1,1.015625,1.25,1.015625,0.625,0,0,0,1,1.015625,1.25,1.015625,0.625,0,0,0,1,1.015625,1.25,1.015625,0.625,0,0,0,1,1.015625,1.25,1.015625,0.625,0,0,0,1.117021277,0.875,1.265957447,1.042553191,0.670212766,0,0,0,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,17.59312983,8.796564914,12.87648366,17.59312983,2.513304261,8.797148847,-5.33E-15,0.122212635,0.017458948,-1.471394987,38.55519078,5.507884398,2.556463519,19.08329983,9.350309923,13.70634192,19.07921819,2.725602599,9.350652787,-0.028571429,0.188653171,0.026950453,-1.167491516,74.42522834,10.63217548,3.016856482,0,11.85,12.15006846,-0.210179625,0.089903792,5.768181322,7.500882457,7,15,12,9,1,3,0,0,0,6,8.745656,3.765416021,2.875673982,2.619181914,2.07300089,0.941428501,0.758222679,0.307866889,0.083923071,1.968342676,1.412036142,1.082250302,0.83114831,0.310513972,0.232961051,0.083923071,0.083923071,3.777737878,2.906585378,2.645815032,2.132252827,1.053336623,0.88274137,0.445525863,0.270913902,1.93529437,1.327827619,1.007167592,0.732846177,0.150156259,0.065219542,0.270913902,0.270913902,3.833794233,3.054562707,2.771820215,2.377281051,1.517793787,1.392274143,0.956863265,0.943918427,1.845410498,1.08613326,0.798620231,0.42315009,0.396843083,0.515592156,0.943918427,0.943918427,3.786906761,2.930047673,2.665925019,2.175105381,1.134811365,0.973074417,0.541478295,0.399277246,1.914955466,1.274383397,0.960278991,0.668747584,0.041902902,0.048582902,0.399277246,0.399277246,3.862417112,3.132507981,2.838078588,2.48756005,1.721464227,1.611361544,1.207644823,1.207644823,1.819269484,1.015368102,0.738564276,0.317644508,0.594311107,0.729436768,1.15957793,1.207644823,3.790012053,2.946255921,2.705142425,2.218788872,1.217490681,1.055013792,0.592427746,0.512195122,1.905765741,1.228574674,0.905650187,0.616845831,0.056187812,0.148687862,0.512195122,0.512195122,0,0,0,5,1,1,0,0,0,0,0,0,0.102062073,0.102062073,0,0,0,0.032075015,0.032075015,0.288675135,0,0,0,0.166666667,0,0,0,0.40824829,0.433012702,0.40824829,0.19245009,0.166666667,0.12830006,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,4.386751346,2.410683603,1.654700538,0.940455735,0.534377897,0.303561201,0.06415003,0,0.626678764,0.344383372,0.206837567,0.117556967,0.066797237,0.03794515,0.032075015,0,9.167311215,14.55134741,13.90196078,14.04,10.19421796,112.3411042,0.611154081,0.970089828,0.926797386,0.936,0.679614531,7.489406946,1.71462,30.082,25.81164286,34.91599912,51.62328572,7.374755103,25.81164286,0.063309915,0.009044274,-1.931799329,26.80913824,3.829876892,2.302119966,45,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,5,0,0,0,0,0,0,0,0,1,0,0,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.58333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.153194444,0,0,0,0,2.153194444,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,10.26157407,0,0,0,0,1.321759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.321759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,0,0,0,0.422222222,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,2.020833333,0,0,0,0,1.321759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.44,0,0,0,0,0.44,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,2.083333333,0,0,0,0,1.321759259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.952380952,0.44,2.083333333,0.1875,1.321759259,4.2325625,0.344907407,0.083333333,0.689814815,0.344907407,0.083333333,0.689814815,3.5,0.5,0,0,0.48667,0.7,0.43333,0.43333,0.7,0.05333,0.05333,0,0,0.71429,0,0,0.14286,0.14286,0,9.5,1.35714,3.5,0.5,6,0.85714,2.5,0.35714,0,0,2.78594,0.39799,6.62679,3.84085,0.54869,1.35326,0.19332,3.39384,2.04058,0.29151,0.02016,0.00288,0.10616,0.01517,0.4,7,0,0,0,0,0,0,0.142857143,0.996791632,2.041946032,2.36559623,2.872905595,3.006238929,2.872905595,14.95187448,30.62919048,35.48394346,43.09358393,45.09358393,43.09358393,0.255136817,0.522652473,0.605493339,0.735343242,0.769470978,0.735343242,2.910098964,1.864944563,1.541294365,1.033985,0.900651667,1.033985,0.23904306,0.489684115,0.567299467,0.688958577,0.720933573,0.688958577,6.644859528,13.59134937,17.47515175,20.00524452,18.12080749,17.98643082,25.42029908,23.00989851,20.1702396,17.55180316,19.08518437,19.33943645,5.142857143,2.34375,1.5,0,6,0,2.23,0.8573,0,1.850535862,1,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.133,0.124,0.553,0.664,3.42,8,8,8,8,2,0,0,0,0,48,2.397895273,2.862200881,3.248434627,3.640870235,4.037553728,2.784239339,0,0,0,0,5.119489699,3.463541667,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,0,3,4,0.333333333,1,0.444444444,0.1875,0.111111111,0,0,0,0,0,0,0.142857143,0.055555556,0.0375,0.111111111,0,0,0,0,0,0,0.34702381,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,0,98.46251628,3.807354922,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,71.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.388905171,92.06260026,6.137506684,13.67682532,1.953832189,0,0,0,42,5,2.474,30,1.228620249,2.169154658,3.027831434,3.853973214,4.915824513,5.732538454,0,0,0,0,99.32603367,128.0621471,108.3484474,53.40161996,22.78420042,5.824625951,0,0,0,0,338.2845852,473.5341237,493.9717822,373.1626646,286.9769563,178.1887602,0,0,0,0,9.015098242,15.68185143,21.64853859,26.91873561,33.6670341,38.51385323,0,0,0,0,2.438709299,3.585189849,4.088898066,3.601267001,3.258569141,2.548760574,0,0,0,0,171.3052152,318.6294216,460.0733268,632.2284801,858.0250833,1060.047551,0,0,0,0,3.548368201,5.411829214,6.690545286,6.535514595,6.51977092,5.732538454,0,0,0,0,0.50095289,0.743748609,0.861549758,0.779102857,0.724083456,0.587011938,0,0,0,0,208.2127183,81.74242267,10.12659926,86.98696994,-34.15029457,-4.981305312,121.2257484,115.8927172,15.10790457,0.705328381,0.276905518,0.034304234,0.294671619,-0.115685402,-0.016874358,61.46432953,24.13033769,2.989368944,25.67852641,-10.08115631,-1.470479775,0.157976185,0.157267841,4.078381183,2.126720455,295.1996882,0,1,0,540.6395164,23.25165621,8.146466238,619.1973665,24.88367671,8.523337786,835.3178834,28.90186643,9.417824499,1.625780523,1.625780523,271.5903268,186.8193823,88.14246263,1.453758831,3.081265472,2.119516255,3.353501576,3.785389562,5.736871498,0.515530014,2.639615722,1.872839511,3.296951735,6.216241405,0.015703019,3.157315437,2.29777692,2.688998165,0.825492883,0.375694394,0.002381322,8.99E-26,7.25E-70,1.22E-135,4.17E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.221634264,1.872778166,0.264726363,2.197550668,0.001775231,0.201910116,0.225303301,0.183764026,0.005841898,0.00332421,1.68E-05,6.33E-28,5.10E-72,8.58E-138,2.93E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.715195829,1.87278246,0.86181118,2.581673168,0.004617971,0.527812427,0.645135184,0.620760562,0.060658147,0.029316176,1.75E-04,6.60E-27,5.32E-71,8.94E-137,3.06E-224,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.49158863,1.872832845,3.103588779,5.815914726,0.014850293,2.878267242,2.169768042,2.509318058,0.735518496,0.335203897,0.002121715,8.01E-26,6.46E-70,1.09E-135,3.71E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.054010371,1.872787851,1.278180992,2.974871487,0.006569488,0.833887752,0.934287994,0.942828509,0.131688984,0.062009847,3.80E-04,1.43E-26,1.16E-70,1.94E-136,6.64E-224,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.187693417,1.872867498,4.021667165,7.873673,0.018860369,4.301913645,2.773023213,3.384147424,1.203812838,0.545702985,0.003472934,1.31E-25,1.06E-69,1.78E-135,6.08E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.385029616,1.731608989,1.598808389,3.496679939,0.008476251,1.164904998,1.218200876,1.267785269,0.216658126,0.100875263,6.25E-04,2.36E-26,1.90E-70,3.19E-136,1.09E-223,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.276735353,1.690829113,0.111499579,0.645145508,0.332901711,0.564606018,0.467262948,0.133353426,5.079064045,6.094280878,11.79109714,0.467718262,1.165222392,2.057805299,0.939027824,0.01829864,0.682492661,0.311438404,0.222676311,0.144105854,0.003591677,3.015131763,1.987174403,5.037665294,0.523738991,0.370373842,2.464919506,1.190124521,0.049427124,0.665390391,0.321267051,0.319499195,0.231486165,0.026205323,3.704471151,3.114219461,6.963688102,0.498085586,0.577190682,3.237395043,1.666565162,0.108491571,0.645870561,0.332485027,0.551130214,0.453947533,0.126255341,5.012451776,5.92736814,11.52516772,0.468805842,1.131333088,2.675228073,1.319836862,0.065507585,0.658830266,0.325037136,0.37634438,0.284699912,0.046030073,4.060572519,3.792571679,8.084442611,0.488245399,0.707074364,3.403949887,1.769291301,0.121226558,0.642925795,0.334177369,0.609296818,0.511638516,0.157635178,5.294467747,6.649713149,12.67427741,0.465654746,1.278570512,3.235853692,1.665539947,0.108220252,0.645928761,0.332468726,0.550605604,0.453388455,0.125624649,5.009613891,5.919873642,11.51273448,0.468893141,1.129618707 +UMLYSI0123,L,1-tert-butyl-1-cyclohexene,CC(C)(C)C1=CCCCC1,cyclic alkenes,C10H18,3419-66-7,137926,PubChem,,161,0,1.5704,2.46615616,43.3657,29.602274,0,0,28,10,18,0,10,0,0,0,0,0,0,0,0,0,1460.930362,1660.568794,2359.797902,2182.270451,1533.758863,853.749291,218.184624,18.289152,0,4794.676417,6300.428112,9431.213944,10601.21593,8766.349,5967.885995,2840.064045,559.5073998,0,196.337512,203.522536,385.08332,518.650508,599.508988,472.095084,348.629184,120.932352,0,35.89203229,47.93279758,74.89026413,90.35260755,81.40397569,58.67234378,32.70922922,8.003032287,0,4596.461297,4024.14942,8313.35925,11333.46734,14224.25083,11382.58711,8953.873689,3328.517736,0,47.34027778,57.16666667,94.625,130.9166667,128.2083333,95.5,61.5,18,0,52.17608436,59.30602836,43.69996115,29.89411577,17.83440538,12.55513663,4.278129882,1.016064,0,171.2384435,225.0152897,174.6521101,145.222136,101.9342907,87.76302934,55.6875303,31.08374443,0,7.012054,7.268662,7.131172593,7.104801479,6.971034744,6.942574765,6.835866353,6.718464,0,1.281858296,1.711885628,1.386856743,1.237706953,0.946557857,0.862828585,0.641357436,0.444612905,0,164.159332,143.7196221,153.9510972,155.2529772,165.3982655,167.3909869,175.5661508,184.917652,0,1.690724206,2.041666667,1.752314815,1.793378995,1.490794574,1.404411765,1.205882353,1,0,0.043601394,-0.005841678,0.013382997,-0.029984768,-0.01837041,0.002493542,0.005027927,0.011491692,0,778.2814864,-4.05E-13,150.7148275,-567.6513381,-159.3623996,-229.7783436,138.9788369,277.9576737,0,1447.247658,4.97E-13,280.2606575,-1055.571903,-296.3411871,-427.2826418,258.4370818,516.8741635,0,0.15246,3.18E-15,0.029524,-0.111199,-0.031218,-0.045012,0.027225,0.05445,0,6.469870403,1.67E-14,1.252895538,-4.71889754,-1.324782987,-1.910152214,1.155334,2.310668001,0,35.14443871,-2.48E-13,6.805748449,-25.63312633,-7.196242212,-10.37597714,6.275792627,12.55158525,0,3.798363095,-1.547371032,2.664416808,-2.577974419,-1.281728316,-0.7732072,0.518308886,1.098373724,0,0.001557193,-2.09E-04,2.48E-04,-4.11E-04,-2.14E-04,3.67E-05,9.86E-05,6.38E-04,0,27.79576737,-1.45E-14,2.791015325,-7.776045728,-1.853051158,-3.379093288,2.725075233,15.44209298,0,51.68741635,1.78E-14,5.190012177,-14.45988908,-3.445827757,-6.283568262,5.06739376,28.71523131,0,0.005445,1.13E-16,5.47E-04,-0.001523274,-3.63E-04,-6.62E-04,5.34E-04,0.003025,0,0.2310668,5.97E-16,0.023201769,-0.064642432,-0.015404453,-0.028090474,0.022653608,0.128370444,0,1.255158525,-8.87E-15,0.126032379,-0.351138717,-0.083677235,-0.152587899,0.123054757,0.697310292,0,0.135655825,-0.055263251,0.049341052,-0.035314718,-0.014903818,-0.011370694,0.010162919,0.061020762,0,-0.133979145,0.159153898,-0.263776124,-0.137175973,0.023548619,0.063310605,0.409986077,0,-5.20E-16,0.100411523,-0.279756469,-0.066666667,-0.121568627,0.098039216,0.555555556,0,3.44E-16,0.100411523,-0.279756469,-0.066666667,-0.121568627,0.098039216,0.555555556,0,2.08E-14,0.100411523,-0.279756469,-0.066666667,-0.121568627,0.098039216,0.555555556,0,2.58E-15,0.100411523,-0.279756469,-0.066666667,-0.121568627,0.098039216,0.555555556,0,-7.06E-15,0.100411523,-0.279756469,-0.066666667,-0.121568627,0.098039216,0.555555556,0,-0.407378387,0.363722325,-0.260325851,-0.10986493,-0.083820169,0.07491694,0.449820437,0,1.428446318,0.912903653,1.51909994,1.084885501,0.829264903,0.550408777,0.002855337,0,1.35,1.05,1.380821918,0.976744186,0.988235294,0.617647059,0,0,1.35,1.05,1.380821918,0.976744186,0.988235294,0.617647059,0,0,1.35,1.05,1.380821918,0.976744186,0.988235294,0.617647059,0,0,1.35,1.05,1.380821918,0.976744186,0.988235294,0.617647059,0,0,1.35,1.05,1.380821918,0.976744186,0.988235294,0.617647059,0,0,1.808814887,0.569964087,1.539393289,1.082837164,0.908140808,0.574938065,0,0,43.2739092,21.6369546,31.60706672,43.2739092,4.32739092,21.6369546,-7.11E-15,0.002188303,2.19E-04,-6.124629096,92.498208,9.2498208,4.527189271,43.2739092,21.6369546,31.60706672,43.2739092,4.32739092,21.6369546,-7.11E-15,0.002188303,2.19E-04,-6.124629096,92.498208,9.2498208,4.527189271,43.2739092,21.6369546,31.60706672,43.2739092,4.32739092,21.6369546,-7.11E-15,0.002188303,2.19E-04,-6.124629096,92.498208,9.2498208,4.527189271,43.2739092,21.6369546,31.60706672,43.2739092,4.32739092,21.6369546,-7.11E-15,0.002188303,2.19E-04,-6.124629096,92.498208,9.2498208,4.527189271,43.2739092,21.6369546,31.60706672,43.2739092,4.32739092,21.6369546,-7.11E-15,0.002188303,2.19E-04,-6.124629096,92.498208,9.2498208,4.527189271,43.2739092,21.6369546,31.60706672,43.2739092,4.32739092,21.6369546,-7.11E-15,0.002188303,2.19E-04,-6.124629096,92.498208,9.2498208,4.527189271,51.05107642,25.39414932,37.19569537,50.8408542,5.08408542,25.39414932,-0.262777778,0.025323223,0.002532322,-3.676033388,65.02091736,6.502091736,4.174709024,0,11.9,12.10017173,-0.140548328,0.060401353,6.8305625,9.793647728,10,28,27,27,9,1,1,0,0,1,19.677726,3.740346464,3.294032751,2.697990952,2.603888656,2.333552793,2.333552793,1.414008243,1.272768837,2.012540522,1.753802143,1.304908183,1.249629723,1.249629723,1.176240574,0.586815851,0.550954495,3.756789647,3.324441171,2.736826763,2.643607459,2.405454588,2.405454588,1.50783269,1.37962618,1.968769229,1.6860215,1.216071397,1.134540686,1.134540686,1.094507838,0.442966495,0.403681407,3.832214168,3.45967452,2.914441868,2.816409365,2.704236987,2.704236987,1.896714102,1.816245194,1.847907712,1.48689664,0.950777176,0.850468475,0.76031856,0.76031856,0.031060344,0.104094937,3.769066508,3.346936874,2.765874282,2.672793763,2.457539916,2.457539916,1.575889511,1.45685067,1.941601692,1.642838261,1.158956535,1.058262671,1.058262671,1.042168428,0.347283508,0.303714018,3.870883318,3.526173357,3.003310625,2.899250602,2.838982085,2.838982085,2.069690164,2.006152644,1.812606475,1.425213868,0.868624676,0.772967902,0.631337262,0.631337262,0.197632119,0.288546592,3.768122985,3.368744511,2.80179028,2.680511282,2.643787882,2.643787882,1.661768149,1.542972355,1.940036357,1.60273836,1.126118164,0.964114291,0.870388868,0.870388868,0.214879798,0.181598076,0,0,0,1,1,3,4,0,1,0,0,0,0.102062073,0.051031036,0,0,0,0.072168784,0.036084392,1.510362971,0.288675135,0.433012702,0.144337567,1.352062073,0.25,0.306186218,0.102062073,1.861881719,2.103152481,2.150556853,1.413866573,1.588406291,1.592269954,7.612884175,4.605171716,4.70095927,2.829916587,1.968614081,1.369082439,0.535074775,0.306186218,0.761288418,0.460517172,0.335782805,0.202136899,0.140615291,0.097791603,0.066884347,0.051031036,7.405777394,4.300476816,4.225144469,2.254318403,1.519329207,1.028215132,0.412761893,0.216506351,0.740577739,0.430047682,0.301796033,0.161022743,0.108523515,0.073443938,0.051595237,0.036084392,14.87645023,26.99053168,25.52941176,25.84,17.18699042,213.9969904,0.531301794,0.96394756,0.911764706,0.922857143,0.613821086,7.642749658,3.45909,45.736,40.42054828,58.46993254,80.84109655,8.084109655,40.42054828,0.278590457,0.027859046,-1.278012472,37.98302013,3.798302013,3.637139221,78,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,7,2,0,1,0,0,0,0,0,0,0,0,3,0,4,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.099537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.241666667,0,0,1.797569444,0.580555556,0,0.241666667,0,0,0,0,0,0,0,0,6.929027778,0,5.45712963,0,2.434027778,0,0,0,0,1.665509259,0,0,0.430972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.665509259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.241666667,0,0,0.243402778,0.290277778,0,0.241666667,0,0,0,0,0,0,0,0,2.309675926,0,1.312106481,0,2.434027778,0,0,0,0,1.665509259,0,0,0.430972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.434027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.241666667,0,0,0.290277778,0.290277778,0,0.241666667,0,0,0,0,0,0,0,0,2.309675926,0,1.405856481,0,2.434027778,0,0,0,0,1.665509259,0,0,0.430972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.91666667,1.691666667,0.290277778,2.434027778,-0.029513889,0.430972222,6.175955648,0.819027778,0.434027778,2.726111111,0.819027778,0.434027778,2.726111111,5,0.5,0,0,0.44286,0.7,0.43333,0.43333,0.7,0.00952,0.00952,0,0,0.71429,0,0,0.3,0.1,0.1,6,0.6,5,0.5,1,0.1,-4,-0.4,0,0,11.16542,1.11654,12.42563,1.26021,0.12602,4.11699,0.4117,4.60517,0.48817,0.04882,0.30883,0.03088,0.39483,0.03948,0.214285714,10,0,0,0,0,0,0,0.8,0.940285959,2.013006501,2.975775904,3.190061618,3.332918761,3.145593314,26.32800684,56.36418201,83.3217253,89.3217253,93.3217253,88.0766128,0.195593205,0.418734737,0.619004827,0.663579384,0.693295755,0.654329328,3.867068963,2.794348422,1.831579018,1.617293304,1.474436161,1.661761608,0.193554886,0.414371012,0.612554044,0.656664079,0.68607077,0.64751042,6.779097864,17.46438724,19.2198457,20.22096356,20.36493856,18.11703321,39.20654966,23.4339565,22.74574616,21.02620693,20.50981981,24.09342736,8.1,2.93877551,2.285714286,4,2,3,2.56,1.366,1.5,4.02369228,1.5,3,6.083643419,3.041821709,1.850535862,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.14,0.123,0.274,0.371,4.625,14,14,14,14,8,6,0,0,0,90,2.48490665,2.890371758,3.091042453,3.135494216,3.17805383,2.564949357,2.302585093,0,0,0,4.836281907,1.388888889,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.1,4,0.4,0,3,5,0.666666667,3,1.333333333,0.6875,0.248888889,0.1875,0,0,0,0,0,0.3,0.095238095,0.0625,0.035555556,0.0625,0,0,0,0,0,0.555793651,23.37727465,34.54807559,46.75454929,4.675454929,23.37727465,0.032427167,0.003242717,-3.428758735,56.28586604,5.628586604,4.030443456,0,166.5233876,4.321928095,3.891820298,4.65396035,5.509388337,6.300785795,7.153833802,7.954723334,8.804925263,9.609988595,10.45826307,84.33768885,3.044522438,0,4.343805422,0,5.843544417,0,7.419979924,0,9.031333316,9.257128533,138.1408506,4.933601806,19.29949945,1.929949945,0,0,0,114,11,4.34,48,1.270463578,2.214663456,3.038109686,3.640760469,4.38657721,5.41711639,6.032250017,0,0,0,88.78059289,108.6466581,95.99354153,75.84478099,63.36231211,23.78363976,6.129152081,0,0,0,317.2628384,419.9313845,455.7835863,400.3257118,422.4279688,306.2554722,187.5049179,0,0,0,9.277558668,15.86520098,21.61745445,25.43814153,30.59456302,37.05258413,40.52745458,0,0,0,2.345196885,3.271361302,3.848718559,3.618469426,4.055403756,3.511008993,2.682016203,0,0,0,179.9141488,335.8131606,469.3648614,598.1016023,723.3563161,949.3178251,1115.46951,0,0,0,2.663732828,4.052458013,5.506846703,5.530782856,6.42685864,6.580800265,6.032250017,0,0,0,0.484025227,0.682642575,0.814017717,0.775899259,0.877114712,0.781496069,0.617702402,0,0,0,313.7791326,157.5742051,8.631361709,45.72633922,-22.96294051,-2.702806524,268.0527934,180.5371457,11.33416823,0.872807668,0.438308225,0.024008986,0.127192332,-0.063873688,-0.007518123,112.8053151,56.64878897,3.103021764,16.43886916,-8.255302764,-0.971673735,0.113862154,0.167786782,1.46094116,1.641043755,359.5054719,0,1,0,611.717556,24.73292453,8.488878446,786.2965177,28.04097926,9.229867165,1148.811485,33.89412169,10.47328503,1.673251309,1.673251309,651.0627259,562.2494421,222.5119544,1.157960644,2.925967405,2.526828024,4.440614143,4.102852983,7.166776112,0.746778679,5.102083583,6.134723779,4.902912081,26.10579064,12.91540378,10.95101034,18.31750635,14.17588656,12.76096434,11.55176625,7.335577203,6.164358801,1.018541717,2.13E-05,7.85E-31,6.57E-78,1.12E-146,3.75E-237,0,0,0,0,0,0,0,0,0,0,0,0,0.42831035,6.108160286,0.425541442,11.01228871,4.954272668,1.78803063,2.248778432,2.462256351,3.225374797,1.081946964,0.253654776,0.115364083,0.007173673,1.50E-07,5.53E-33,4.63E-80,7.90E-149,2.64E-239,0,0,0,0,0,0,0,0,0,0,0,0,1.382317581,6.109935993,1.184157518,13.4331129,5.889918416,3.306564072,4.205770947,3.864057442,4.490357772,2.416871846,1.057340482,0.637277386,0.074755199,1.56E-06,5.76E-32,4.82E-79,8.23E-148,2.75E-238,0,0,0,0,0,0,0,0,0,0,0,0,4.815955164,6.131807581,4.573866869,24.94826236,12.1841454,10.26559488,16.86576475,13.10884012,11.93613356,10.62702372,6.674949109,5.541873175,0.907502333,1.89E-05,6.99E-31,5.86E-78,9.99E-147,3.34E-237,0,0,0,0,0,0,0,0,0,0,0,0,2.037216465,6.112237673,1.751038641,15.29092463,6.7369043,4.453454115,5.942004341,5.120064069,5.56106083,3.571442282,1.799634659,1.207204178,0.162378282,3.39E-06,1.25E-31,1.05E-78,1.79E-147,5.98E-238,0,0,0,0,0,0,0,0,0,0,0,0,6.161492157,6.146985843,6.183602943,30.65673551,15.89983599,13.63011527,24.22405995,18.52401708,16.08865703,15.29789123,10.03941556,8.755463559,1.48544737,3.10E-05,1.14E-30,9.59E-78,1.64E-146,5.47E-237,0,0,0,0,0,0,0,0,0,0,0,0,3.175935371,5.072822012,2.53914624,19.52228765,8.23525847,6.873616509,8.980171016,6.800318563,7.795634324,5.694155241,3.194561864,2.4810809,0.355917414,7.43E-06,2.74E-31,2.30E-78,3.92E-147,1.31E-237,0,0,0,0,0,0,0,0,0,0,0,0,4.553553187,1.784763635,1.010240742,0.619652653,0.242872648,0.60128476,0.543543638,0.426855452,7.348557564,14.53024203,30.0890424,0.429478979,1.571683851,3.596554183,1.130585007,0.483836312,0.690188273,0.216962257,0.37553828,0.218344356,0.097585156,5.210975502,6.353371828,13.5317275,0.53528241,0.691467792,3.964054863,1.382014871,0.686145364,0.657147465,0.229105701,0.45596605,0.326226423,0.19654758,6.032215097,9.146563732,18.93774577,0.485721198,0.978740053,4.528550711,1.767694584,0.996504053,0.620966181,0.242390695,0.594713154,0.533227241,0.415298563,7.292749348,14.27932852,29.54918705,0.431449271,1.543238958,4.133087021,1.497565712,0.779125246,0.644809701,0.233637689,0.495579595,0.382986784,0.25357435,6.409777979,10.57655311,21.80878088,0.467214551,1.132140729,4.632285,1.838506499,1.053492186,0.615644651,0.24434306,0.622214783,0.576662374,0.464282033,7.524283684,15.33341436,31.82974957,0.423466976,1.663159191,4.528210237,1.771213433,1.000152221,0.620338812,0.242646074,0.594630849,0.535396101,0.418356816,7.299575891,14.32080937,29.64203294,0.430508218,1.548383765 +UMLYSI0124,L,dicyclopentadiene,C1C=CC2C1C3CC2C=C3,aromatic,C10H12,77-73-6,6492,PubChem,,157.8,0,0.1078,0.01162084,42.3493,25.601516,0,0,22,10,12,0,10,0,0,0,0,0,0,0,0,0,1454.833978,1876.454508,2937.78477,1979.503018,1049.399405,161.54208,7.112448,0,0,4608.173951,6459.042217,10898.09698,9666.183432,5763.093529,1874.179307,217.586211,0,0,156.026728,175.897776,348.459912,488.95876,383.60498,192.907008,47.029248,0,0,33.22435486,46.82933172,82.26866649,82.88521181,52.89843037,20.4763382,3.112290334,0,0,3486.955385,3359.002846,6939.56505,10810.89554,9084.976774,4796.153005,1294.423564,0,0,39.61111111,49.66666667,89.66666667,111.4166667,84.83333333,39,7,0,0,66.12881718,78.1856045,61.20384938,28.68844954,19.07998918,5.76936,1.016064,0,0,209.4624523,269.1267591,227.0436871,140.089615,104.7835187,66.93497526,31.08374443,0,0,7.092124,7.329074,7.2595815,7.086358841,6.974636,6.889536,6.718464,0,0,1.510197948,1.951222155,1.713930552,1.201234954,0.961789643,0.731297793,0.444612905,0,0,158.4979721,139.9584519,144.5742719,156.6796456,165.1813959,171.2911787,184.917652,0,0,1.800505051,2.069444444,1.868055556,1.6147343,1.542424242,1.392857143,1,0,0,0.053883271,-0.001727711,-0.021858794,-0.017040043,0.015121768,-0.017919597,0.016482741,0,0,660.3600491,72.03927808,-142.0774651,-530.2891303,55.03000409,40.02182116,175.0954676,0,0,1227.96771,133.9601138,-264.1991133,-986.095282,102.3306425,74.42228543,325.5974988,0,0,0.12936,0.014112,-0.027832,-0.10388,0.01078,0.00784,0.0343,0,0,5.489587008,0.598864037,-1.181092962,-4.408304719,0.457465584,0.332702243,1.455572313,0,0,29.81952376,3.253038955,-6.415715717,-23.9459812,2.484960313,1.807243864,7.906691905,0,0,3.121212121,0.180899908,-1.362947658,-1.233700643,1.121212121,-0.846189164,0.580119376,0,0,0.00244924,-7.20E-05,-4.55E-04,-2.47E-04,2.75E-04,-6.40E-04,0.002354677,0,0,30.01636587,3.001636587,-2.95994719,-7.685349715,1.000545529,1.429350756,25.01363822,0,0,55.81671408,5.581671408,-5.504148194,-14.29123597,1.860557136,2.657938766,46.5139284,0,0,0.00588,5.88E-04,-5.80E-04,-0.001505507,1.96E-04,2.80E-04,0.0049,0,0,0.249526682,0.024952668,-0.024606103,-0.063888474,0.008317556,0.011882223,0.207938902,0,0,1.355432898,0.13554329,-0.133660744,-0.347043206,0.045181097,0.064544424,1.129527415,0,0,0.141873278,0.007537496,-0.028394743,-0.017879719,0.020385675,-0.030221042,0.082874197,0,0,-0.029391962,-0.185931807,-0.100830128,0.112255755,-0.261299711,0.961391151,0,0,0.1,-0.098611111,-0.256038647,0.033333333,0.047619048,0.833333333,0,0,0.1,-0.098611111,-0.256038647,0.033333333,0.047619048,0.833333333,0,0,0.1,-0.098611111,-0.256038647,0.033333333,0.047619048,0.833333333,0,0,0.1,-0.098611111,-0.256038647,0.033333333,0.047619048,0.833333333,0,0,0.1,-0.098611111,-0.256038647,0.033333333,0.047619048,0.833333333,0,0,0.053128371,-0.200141586,-0.126025984,0.14368932,-0.213014332,0.584142395,0,0,1.028621818,1.071985823,0.976488537,0.880529769,1.373247504,0.085711492,0,0,0.9625,1.122916667,1.199637681,0.875,0.825,0,0,0,0.9625,1.122916667,1.199637681,0.875,0.825,0,0,0,0.9625,1.122916667,1.199637681,0.875,0.825,0,0,0,0.9625,1.122916667,1.199637681,0.875,0.825,0,0,0,0.9625,1.122916667,1.199637681,0.875,0.825,0,0,0,0.996763754,1.127199636,1.021141128,0.858009709,1.261529126,0,0,0,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,39.11102716,19.07016039,28.23659564,39.11102716,3.911102716,19.07016042,-7.11E-15,0.03137978,0.003137978,-3.461591553,54.11916567,5.411916567,3.991188387,51.07126949,23.65962904,36.14011418,51.0023806,5.10023806,23.65962904,-0.344444444,0.021131425,0.002113142,-3.856994031,47.71653426,4.771653426,3.865277968,0,11.8,12.20008287,-0.284116548,0.115994747,7.229990757,9.563653879,12,24,22,22,10,2,2,0,0,2,13.118484,3.924496123,3.334613846,2.619821451,2.513840825,2.148760675,1.952541824,0.916951974,0.848037925,1.83925593,1.735673169,1.509079677,1.310682496,0.644706107,0.585467999,0.359940978,0.330305947,3.938686808,3.354604103,2.649603633,2.548081358,2.194899589,2.007323963,1.037117756,0.973891901,1.800157868,1.685243917,1.445094537,1.247225664,0.515559101,0.448458557,0.205029689,0.171928522,4.00178965,3.4458246,2.789508727,2.708396636,2.405086451,2.254546524,1.520803052,1.475676956,1.692254405,1.542769424,1.263268085,1.069354187,0.102621805,7.93E-04,0.316106163,0.365957075,3.949170337,3.369505515,2.672048999,2.573877882,2.229389283,2.048198198,1.123485477,1.064033653,1.775934004,1.653641406,1.404848413,1.207536974,0.430303631,0.357328503,0.100920638,0.065166415,4.033123113,3.492284326,2.862276356,2.791046315,2.509509028,2.375187786,1.728371358,1.689050719,1.660503916,1.500197419,1.209026818,1.017010369,0.034743609,0.152256589,0.500539769,0.558989443,3.944004565,3.49762675,2.704301905,2.630116164,2.249648149,2.0955655,1.28071553,1.214926233,1.79637798,1.638191713,1.325339285,1.080819941,0.288129307,0.240439249,0.056814303,0.100637309,0,0,0,4,0,0,2,4,0,0,0,0.314269681,0.549943305,0.995781916,0,0,0.23570226,0.410119041,0.664934689,0.60549886,0,0.191638319,0,0.519359402,0,0.146277398,0,1.783239899,3.238492022,3.743456942,1.406276641,2.328372981,2.432082526,6.552041764,4.949489743,4.591824721,4.349603133,4.018442913,2.638605413,1.78720836,1.047137179,0.655204176,0.412457479,0.255101373,0.161096412,0.103036998,0.065965135,0.044680209,0.029918205,6.033015716,4.299659829,3.853371151,3.455101994,2.972928357,1.802560446,1.104858789,0.581431086,0.603301572,0.358304986,0.214076175,0.127966741,0.076228932,0.045064011,0.02762147,0.016612317,13.25096682,21.32702112,20.35294118,20.56,14.79132695,165.140309,0.602316674,0.969410051,0.92513369,0.934545455,0.672333043,7.506377681,2.23698,40.934,69.06457753,80.68215568,138.1291551,13.81291551,69.06457753,0.106208875,0.010620887,-2.242347608,63.62998505,6.362998505,4.153084822,84,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,6,4,0,4,0,0,0,0,0,0,0,0,0,0,2,0,4,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.695092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.115069444,0,0,1.884930556,1.304791667,0,1.115069444,0,0,0,0,0,0,0,0,0,0,2.815324074,0,9.695092593,0,3.822916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.376481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272916667,0,0,0.281180556,0.315902778,0,0.272916667,0,0,0,0,0,0,0,0,0,0,1.357314815,0,2.376481481,0,0.924768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.443287037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,0.333680556,0.333680556,0,0.290694444,0,0,0,0,0,0,0,0,0,0,1.458009259,0,2.443287037,0,1.009259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.33333333,1.633333333,0.333680556,2.443287037,0.272916667,0.924768519,5.696351713,0.408564815,0.443287037,3.390185185,0.408564815,0.443287037,3.390185185,5,0.5,0,0,0.48182,0.7,0.45385,0.45385,0.7,0.02797,0.02797,0,0,0.71429,0,0,0,0.4,0,8,0.8,6,0.6,2,0.2,-4,-0.4,0,0,8.413,0.8413,10.7571,2.3441,0.23441,3.9443,0.39443,4.94947,1.00516,0.10052,-0.03547,-0.00355,0.22253,0.02225,0.454545455,54,0,0,0,0,0,0,0.6,0.994030211,2.42511855,3.481714573,3.970573096,4.186704346,4.277613437,21.86866465,53.35260811,76.59772061,87.35260811,92.10749561,94.10749561,0.222905136,0.543817858,0.780752991,0.890376495,0.938842593,0.959228396,3.465401407,2.034313068,0.977717046,0.488858523,0.272727273,0.181818182,0.211476005,0.515934401,0.740721035,0.844723756,0.890704827,0.910045377,6.685280239,18.35248477,23.41450322,25.28365096,26.50076208,26.59238254,36.74662124,27.47050302,19.99424877,16.95099589,15.26525756,15.04167286,5.625,1.777777778,0.614540466,0,2,0,2.56,1.1058,0,0,0,0,6.137143265,12.89483918,0,4.242640687,0,0,0,0,0,0,0,0,0,0,0,0.003,0.159,0.192,0.621,0.876,4.8,18,27,39,40,40,35,25,10,0,256,2.708050201,3.135494216,3.610917913,4.077537444,4.234106505,4.418840608,4.48863637,4.394449155,3.713572067,0,6.212606096,1.9453125,0.25,3,0,0,3,0,0,0,0,0,0,0,0,3,0,0,1,0,1,1,0,0,0,0,6,0,3,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,4,0.333333333,1.5,1.333333333,0.375,0.097222222,0,0,0,0,0,0,0.125,0.074074074,0.0375,0.019444444,0,0,0,0,0,0,0.256018519,19.93805946,28.6921748,39.87611892,3.987611892,19.93805947,0.04889705,0.004889705,-3.018038216,55.07549411,5.507549411,4.008704864,0,139.1740115,4.321928095,4.110873864,5.017279837,5.937536205,6.857514063,7.78113851,8.703672758,9.627536403,10.55072168,11.47450683,92.06078015,3.218875825,0,4.574710979,3.433987204,6.137727054,5.777652323,7.806696373,7.867488569,9.535679436,9.896211144,132.0939004,6.004268199,21.19820746,2.119820746,0,0,0,98,10,3.722,60,1.294802911,2.240524453,3.024818184,3.881970769,4.606541731,5.59407332,0,0,0,0,113.512529,142.8446017,92.92683832,78.38719007,27.90389255,5.683936514,0,0,0,0,377.152249,523.0695464,443.6552599,418.8628046,318.3482297,173.8847454,0,0,0,0,9.52899289,16.28996976,21.48952899,27.10177977,31.78469748,37.58358021,0,0,0,0,2.682091109,3.921875463,3.76218156,3.806736152,3.448794696,2.487197189,0,0,0,0,178.7726836,322.2620301,469.8628409,639.3417605,785.2555242,1034.442904,0,0,0,0,2.738538277,4.231765869,4.984330498,6.074802123,6.53404671,5.59407332,0,0,0,0,0.549500388,0.811740153,0.796435287,0.817063227,0.759828729,0.572833108,0,0,0,0,280.48545,135.2200598,11.85318594,52.8651831,-25.48593241,-3.853047669,227.6202669,160.7059922,15.70623361,0.841412681,0.405639127,0.035557712,0.158587319,-0.076453829,-0.011558543,93.50000234,45.07569254,3.951267039,17.62264226,-8.495751703,-1.28441588,0.118650558,0.181178447,3.233745428,1.424454457,333.3506331,0,1,0,798.2621948,28.2535342,9.27645098,915.355877,30.25484882,9.70949535,1458.555464,38.19103906,11.34072927,1.137435863,1.092239603,425.5866821,370.8312794,160.1954003,1.147655836,2.656672298,2.31486846,3.736637101,3.885360026,6.5637765,0.689361206,3.673549246,6.735196842,4.943847362,14.88133977,11.67192746,10.56587754,12.11719505,6.538914105,3.464155767,1.353063282,0.973306239,1.506282188,5.44E-09,8.58E-39,2.61E-90,1.53E-163,1.73E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,0.308395649,6.735106184,2.360527956,7.131649475,2.041998401,0.787183567,1.221154059,0.539836973,0.091037989,0.106986065,0.006859064,0.010608869,3.83E-11,6.04E-41,1.84E-92,1.08E-165,1.22E-260,0,0,0,0,0,0,0,0,0,0,0,0,0,0.995295241,6.735113285,2.810919164,8.232885185,3.625765573,2.383210716,2.515707091,1.229996346,0.425452732,0.349691348,0.07144542,0.11055259,3.99E-10,6.30E-40,1.91E-91,1.12E-164,1.27E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,3.467536954,6.735187257,4.758486878,14.23687431,10.94728418,9.825721638,11.12129926,5.982608901,3.132383346,1.272659486,0.867201083,1.342070311,4.85E-09,7.64E-39,2.32E-90,1.36E-163,1.54E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,1.466830276,6.735121545,3.142937558,9.131561326,4.826368077,3.597605389,3.680383135,1.862437652,0.760160709,0.519758748,0.155179183,0.240134999,8.68E-10,1.37E-39,4.16E-91,2.44E-164,2.76E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,4.436320036,6.73523691,5.661050438,17.46056721,14.50835799,13.46701712,16.17793108,8.813309416,4.834797301,1.655440124,1.419462666,2.196771009,7.94E-09,1.25E-38,3.80E-90,2.23E-163,2.52E-258,0,0,0,0,0,0,0,0,0,0,0,0,0,2.266222565,5.935681891,3.346708405,9.994808557,7.004371959,5.169966372,6.376014055,3.620831256,1.623194379,0.981768783,0.364857273,0.564620562,2.04E-09,3.22E-39,9.78E-91,5.73E-164,6.49E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,3.013545021,1.499532961,0.880652545,0.558712566,0.278014067,0.484704816,0.534890439,0.360870448,5.393730528,8.493363701,17.8666839,0.338068848,1.380465702,2.411238129,0.813944645,0.403121264,0.664563417,0.224331984,0.31133452,0.159080373,0.075010117,3.628304039,3.262754121,7.682229743,0.496845125,0.545425011,2.613348363,1.047973467,0.565274103,0.618310433,0.247947399,0.364978043,0.264592604,0.14825379,4.226595933,4.808370158,10.58309344,0.42746565,0.777824437,2.994232163,1.478116916,0.865601298,0.560932933,0.276907204,0.478499587,0.520346063,0.348638401,5.337950377,8.29709638,17.46604681,0.3413994,1.34748405,2.717369792,1.166895179,0.647962868,0.599566017,0.257466134,0.394340346,0.327778664,0.195081175,4.532227839,5.687745181,12.27458922,0.399349025,0.917200185,3.07594363,1.568461583,0.929167345,0.551880073,0.281410454,0.505059355,0.582694529,0.401708838,5.573572558,9.139929075,19.19626895,0.327820109,1.489462721,3.016533864,1.480804817,0.865833883,0.562453255,0.276106129,0.485297735,0.523208393,0.348252554,5.363172564,8.360846088,17.59161018,0.343679882,1.356758682 +UMLYSI0125,L,ethoxybenzene,CCOC1=CC=CC=C1,aromatic,C8H10O,103-73-1,7674,PubChem,,112.3,0,1.1552,1.33448704,41.8931,21.54993,6,6,19,9,10,0,8,0,1,0,0,0,0,0,0,0,1420.241609,1515.247705,1804.265374,1485.99336,975.037945,624.514971,287.602729,56.556864,3.048192,3915.363435,4717.44348,5882.218303,5244.305409,3891.471977,3145.379432,1996.457126,707.6164209,93.25123329,140.860484,144.0277,235.465936,265.262928,185.658988,172.050348,153.019108,82.21824,20.155392,27.40053305,33.3364231,43.09147224,39.8945807,30.93254793,27.15876576,19.48401646,8.011080479,1.333838715,3048.982655,2725.472627,4754.467855,5680.02127,3914.275582,3818.788925,3660.318901,2091.831407,554.7529561,51.27777778,55.75,85,84.83333333,57.66666667,47.5,35.5,16,3,74.74955837,79.74987921,58.20210884,42.45695314,39.0015178,26.02145712,13.07285132,4.713072,1.016064,206.0717598,248.286499,189.7489775,149.8372974,155.6588791,131.0574763,90.74805119,58.96803508,31.08374443,7.413709684,7.580405263,7.595675355,7.5789408,7.42635952,7.1687645,6.955414,6.85152,6.718464,1.442133318,1.754548584,1.390047492,1.139845163,1.237301917,1.13161524,0.885637112,0.66759004,0.444612905,160.4727713,143.4459277,153.3699308,162.286322,156.5710233,159.1162052,166.3781319,174.3192839,184.917652,2.698830409,2.934210526,2.741935484,2.423809524,2.306666667,1.979166667,1.613636364,1.333333333,1,0.170659884,-0.052136453,-0.01224314,-0.018236428,-0.010768661,-0.014299013,0.008442301,0.009204713,0.004706738,634.7270885,22.25765768,-61.81558465,-34.86057729,-231.8173604,-205.6984581,-7.748683978,114.130347,88.18911544,1006.329214,-48.16277968,-154.8207997,155.6804054,-339.3911887,-317.5809659,-84.1382823,146.5957374,138.6532663,1.040601684,0.030202947,-0.127548853,-0.401387524,-0.189470848,-0.079086759,0.102703313,0.100554726,0.043732155,4.564428638,-0.497961093,-0.90808195,1.157031263,-1.311338856,-1.229052713,-0.536524605,0.490253649,0.553459985,25.35940736,-3.194029034,-5.372625652,6.910231639,-6.828269898,-6.356740754,-3.1480778,2.408290146,2.90151767,8.026315789,-0.57748538,0.416128039,-2.212219144,-1.850415512,-1.971837488,0.335026162,1.0710988,0.77654663,0.008982099,-0.002744024,-3.95E-04,-5.21E-04,-4.31E-04,-5.96E-04,3.84E-04,7.67E-04,0.001568913,33.40668887,1.171455668,-1.994051118,-0.996016494,-9.272694415,-8.570769089,-0.352212908,9.510862253,29.39637181,52.96469549,-2.534883141,-4.994219346,4.448011582,-13.57564755,-13.23254025,-3.824467377,12.21631145,46.21775544,0.05476851,0.001589629,-0.004114479,-0.011468215,-0.007578834,-0.003295282,0.004668332,0.00837956,0.014577385,0.240233086,-0.026208479,-0.029292966,0.033058036,-0.052453554,-0.05121053,-0.024387482,0.040854471,0.184486662,1.334705651,-0.168106791,-0.173310505,0.19743519,-0.273130796,-0.264864198,-0.143094445,0.200690846,0.967172557,0.422437673,-0.030393967,0.013423485,-0.063206261,-0.07401662,-0.082159895,0.015228462,0.089258233,0.258848877,-0.305499171,-0.043969675,-0.0580088,-0.047956098,-0.066331066,0.042722859,0.085398683,0.174671046,0.0350665,-0.059690175,-0.029814882,-0.277569994,-0.256558473,-0.010543185,0.284699339,0.879954668,-0.047859864,-0.094293365,0.083980688,-0.256315031,-0.249836993,-0.072207861,0.230650084,0.87261439,0.029024504,-0.075124906,-0.209394322,-0.138379407,-0.060167451,0.085237529,0.152999607,0.266163624,-0.109096041,-0.121935603,0.137608173,-0.218344422,-0.213170178,-0.101515917,0.170061799,0.767948598,-0.12595046,-0.129849233,0.147924143,-0.204637476,-0.198443903,-0.107210489,0.150363374,0.724633597,-0.071948998,0.03177625,-0.149622691,-0.175213115,-0.194489982,0.036049015,0.21129326,0.612750455,1.233797915,1.331120031,1.606177342,1.108601335,0.606319949,0.245604475,0.18279392,0.071124685,0.927229456,1.058034839,1.056663683,1.225257043,1.134141493,0.858316984,0.572211323,0,1.092116359,1.052190965,0.814529341,1.199533609,1.205581261,1.006701729,0.671134486,0,0.85855147,1.418638934,1.871298144,1.180454903,0.526090346,0.102557974,0.068371982,0,1.200816897,1.106302359,0.770417796,1.173591205,1.159089837,0.992218225,0.661478817,0,1.228826394,1.129736294,0.777965004,1.165435412,1.131786534,0.970097871,0.646731914,0,0.963934426,1.126335272,1.481733021,1.144983607,0.887704918,0.52242921,0.373770492,0,31.35148193,15.80074097,24.04072025,31.54592638,3.505102931,15.80074162,0.25,0.24465453,0.027183837,-1.267117329,60.02051905,6.668946562,3.685217839,31.36319064,15.80622811,24.05055039,31.55706387,3.50634043,15.80622876,0.249265579,0.244907372,0.02721193,-1.26618769,59.88444197,6.653826886,3.683175064,41.80032496,20.70066524,33.05312813,41.6673268,4.629702978,20.70066524,-0.398994478,0.391544076,0.043504897,-0.84389147,36.72504943,4.080561048,3.243113161,31.37547937,15.81198709,24.06086854,31.5687531,3.507639234,15.81198773,0.2484948,0.245172426,0.027241381,-1.265214182,59.74313788,6.638126431,3.681048903,52.93086772,25.92428673,42.87589019,52.57010297,5.841122552,25.92428673,-1.082294264,0.464595405,0.051621712,-0.689929515,34.06149249,3.784610277,3.175350744,32.57877404,16.37595411,25.0760381,32.71343396,3.634825996,16.37595448,0.173134186,0.269646902,0.029960767,-1.179577752,50.64294249,5.62699361,3.532319894,30.84894125,15.37705065,23.23132913,30.9720894,3.441343267,15.37705171,0.369444444,0.277664459,0.030851607,-1.153207688,67.89519329,7.543910365,3.796168717,0,11.85,15.99491665,-0.345725397,0.105194251,4.893792202,7.657007845,9,19,16,13,3,3,0,0,0,6,12.84807,3.770454701,3.166660152,2.643564668,2.619181914,1.918690593,1.111029994,0.941428501,0.684008337,1.931271872,1.635611274,1.082250302,1.021081929,0.82281426,0.310513972,0.23921441,0.083923071,3.757833793,3.129224574,2.645815032,2.641328037,1.901081062,1.053336623,1.052839285,0.757330776,1.918324193,1.581276053,1.007167592,0.993527261,0.710298155,0.150156259,0.081486701,0.11464345,3.830055609,3.336754767,2.789037688,2.771820215,2.266330748,1.522635547,1.517793787,1.329139347,1.818235978,1.318967078,0.798620231,0.770775238,0.282371094,0.396843083,0.477785145,0.688865454,3.760336305,3.138211573,2.665925019,2.649857849,1.935560936,1.134811365,1.084402974,0.818709545,1.910683778,1.548252447,0.97394584,0.960278991,0.637777268,0.041902902,0.013315022,0.146890877,3.85018271,3.398828882,2.838358499,2.838078588,2.396078,1.721464227,1.669115468,1.512897553,1.797567972,1.253094897,0.738564276,0.725835327,0.148144516,0.594311107,0.651087534,0.855704254,3.842380074,3.28412203,2.750648914,2.733079799,2.155029928,1.415046126,1.237867602,1.03993928,1.836208005,1.479975928,0.880194891,0.849698645,0.547688789,0.074082655,0.154124529,0.445906859,0,0,0,6,0,2,0,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.01309457,0.204124145,0,0,0,0.068041382,0,0,0,0.433012702,0.65464793,0.637136847,0.126679943,0.17170946,0.140008851,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,5.502106418,3.110589664,1.746065231,1.054209399,0.683386939,0.389591611,0.113819711,0.050593533,0.611345158,0.345621074,0.174606523,0.095837218,0.056948912,0.032465968,0.018969952,0.012648383,11.42393812,18.76984705,17.97647059,18.2,12.47301198,143.5238802,0.601259901,0.987886687,0.946130031,0.957894737,0.656474315,7.553888434,2.58609,39.672,37.50463196,54.26687178,75.00926391,8.334362657,37.50463196,0.136437528,0.015159725,-1.792699594,35.3218919,3.924654656,3.208052645,81,0,0,1,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,2,0,0,5,0,0,0,0,0,0,0,0,1,0,1,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.205833333,10.74157407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.443231293,0,0.901699263,0,0,2.443231293,0,0,0,0,0,0,0,0,1.979166667,0,0.740092593,0,0,9.79712963,0,0,0,0,0.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.205833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.205833333,0.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.467953515,0,0.365727041,0,0,0.467953515,0,0,0,0,0,0,0,0,1.979166667,0,0.740092593,0,0,1.947916667,0,0,0,0,0.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.205833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.205833333,1.974722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.507708333,0,0.535972222,0,0,0.507708333,0,0,0,0,0,0,0,0,1.979166667,0,0.740092593,0,0,1.974722222,0,0,0,0,0.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.205833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.66666667,2.074074074,0.535972222,5.205833333,0.160972222,0.740092593,4.329955278,0.759907407,1.705833333,3.411666667,0.759907407,1.705833333,3.411666667,4.33333,0.48148,0,0.01852,0.52982,0.78519,0.43333,0.47467,0.78519,0.09649,0.05516,-0.04133,0,0.61321,0.10108,0,0.11538,0.11538,0,11.5,1.27778,5,0.55556,6.5,0.72222,1.5,0.16667,0.5,0.05556,4.19687,0.46632,9.45555,5.25868,0.5843,2.00455,0.22273,4.43185,2.4273,0.2697,-0.01785,-0.00198,0.06815,0.00757,0.315789474,9.01,0,1,1,1,0,0,0.25,1.236386411,2.414826386,2.925853015,3.431623566,3.681880803,3.681880803,23.49134181,45.88170133,55.59120728,65.20084775,69.95573525,69.95573525,0.291056381,0.568471655,0.688771879,0.807834775,0.866747559,0.866747559,3.011541103,1.833101128,1.322074499,0.816303948,0.566046711,0.566046711,0.277252017,0.541509904,0.656104469,0.769520392,0.825639032,0.825639032,10.3725649,18.72848935,22.05216184,25.3127614,25.56497691,25.56497691,31.88355406,26.08663153,21.96341405,17.83030849,17.2396294,17.2396294,7.111111111,3.92,2.380165289,3,7,2,2.23,1.0569,0,1.639769145,0.333333333,0,6.945629182,3.532775529,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.344,0.35,0.738,0.678,4.279,10,11,12,12,6,4,2,0,0,75,2.564949357,2.970414466,3.392829132,3.820455812,4.218588165,3.49839971,3.270044111,2.784239339,0,0,5.534870605,3.365,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.222222222,3,0.333333333,0,3,6,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.04,0,0,0,0,0.111111111,0.044444444,0.0234375,0.030222222,0.030092593,0.04,0,0,0,0,0.27930787,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,9.23,124.5487276,4.169925001,3.663561646,4.394449155,5.153291594,5.905361848,6.673297968,7.430707083,8.200562797,8.959440144,9.729669736,78.11034197,2.944438979,0,4.077537444,0,5.433722004,0,6.886531643,0,8.379997952,8.639410824,122.0731649,6.424903418,17.70058553,1.966731726,2.907635014,2.907635014,0,94,8,1.69,38,1.233594934,2.15482594,2.943616485,3.887424573,4.502814718,5.356763192,6.583075893,7.660933542,0,0,107.9151509,134.3406618,132.7723676,160.9384568,132.6160464,77.87471712,31.66328286,7.783998779,0,0,325.0162717,428.1020135,458.0637362,620.2621712,635.081868,519.9426799,392.9938369,238.1305003,0,0,9.417357583,16.43889315,22.38217557,28.9968088,32.45394774,37.38120279,45.12699369,51.46970621,0,0,2.253918994,3.096641346,3.452751827,4.856940798,5.365904133,4.985390927,4.433201452,3.406149916,0,0,175.6049068,327.8997534,473.5466868,610.2008056,709.1503481,881.7460979,1145.731614,1416.641843,0,0,3.758325773,6.09939605,7.357260304,9.135767996,9.29678348,8.97658286,8.834847815,7.660933542,0,0,0.494027282,0.704012537,0.803267063,1.087489602,1.156301874,1.077915871,0.983950788,0.784479595,0,0,254.2523659,160.4510394,12.60229913,90.47340147,-57.09504904,-8.542670875,163.7789645,217.5460884,21.14497001,0.737549641,0.465445448,0.036557462,0.262450359,-0.165624547,-0.024781063,87.64734197,55.31160768,4.344337239,31.18851275,-19.6821346,-2.944878773,0.119649566,0.547804524,0.696121238,7.457206724,331.1128701,13.6128973,0.960510938,0.039489062,740.7179539,27.21613407,9.047965941,838.6498762,28.95945228,9.430330114,1226.835246,35.02620799,10.70521552,2.056242991,2.056242991,584.336767,511.2657124,104.9497806,1.142921876,5.56777502,4.871527213,4.028948341,4.234270173,7.791535624,0.840113008,3.197420288,2.327146843,5.359418352,7.961714941,2.797978172,3.599444679,3.347662942,5.558930669,4.927099074,2.646858818,0.480976953,1.958625848,1.319504979,1.43129548,0.01446536,1.59E-22,3.77E-64,1.72E-127,1.52E-212,2.57724E-319,0,0,0,0,0,0,0,0,0,0,0.268451254,2.494681643,0.43448859,1.965746847,0.130479058,2.349554941,2.181045132,1.214661881,0.18331569,0.861349101,0.10445029,0.110089306,0.009546977,0.010197652,1.02E-04,1.12E-24,2.65E-66,1.21E-129,1.07E-214,1.813E-321,0,0,0,0,0,0,0,0,0,0,0.866314377,2.183055376,1.166762988,2.31796875,0.333666654,1.860494498,1.795293198,1.866139686,0.721528013,1.030992547,0.181298977,0.391125647,0.097495736,0.105349382,0.001061676,1.17E-23,2.77E-65,1.26E-128,1.11E-213,1.892E-320,0,0,0,0,0,0,0,0,0,0,3.018111977,2.494084055,5.521125656,7.977180833,2.786020084,3.908615349,3.490839477,5.605240893,4.534716713,2.468632089,0.457923278,1.811395774,1.175829796,1.275339011,0.012888375,1.42E-22,3.36E-64,1.53E-127,1.35E-212,2.29627E-319,0,0,0,0,0,0,0,0,0,0,1.276729322,2.064637557,1.608760434,2.756385154,0.505504162,1.779171554,1.738158769,2.282943505,1.205974814,1.205292509,0.234055696,0.612638594,0.211149727,0.22854522,0.002306101,2.54E-23,6.01E-65,2.74E-128,2.42E-213,4.1086E-320,0,0,0,0,0,0,0,0,0,0,3.86132322,2.432911157,7.086207211,10.4140665,4.056820967,4.313282522,4.114309988,7.048153808,6.751395455,3.385008471,0.566337722,2.542429648,1.923546844,2.08702858,0.021096367,2.32E-22,5.50E-64,2.51E-127,2.21E-212,3.75865E-319,0,0,0,0,0,0,0,0,0,0,1.70168408,2.458859678,3.348221199,5.204978009,1.355526174,3.829766739,3.045846979,3.679216736,1.953653209,1.525412282,0.30593568,0.893387632,0.368040023,0.398648564,0.004024657,4.43E-23,1.05E-64,4.79E-128,4.22E-213,7.1704E-320,0,0,0,0,0,0,0,0,0,0,5.841705404,1.412441729,0.265911591,0.776816461,0.187823231,0.564819186,0.410178565,0.299373622,7.520058724,10.18003029,19.89414376,0.665224691,1.274371373,4.138058146,0.732874681,0.148960188,0.82433194,0.145994084,0.283250243,0.110514405,0.0910414,5.019893015,3.758253115,9.229894422,0.736497909,0.484806048,4.86625175,0.992445105,0.17213169,0.806896053,0.164561983,0.392109508,0.202395865,0.124682474,6.030828544,5.837955117,12.70009154,0.71034408,0.719187847,5.705463793,1.368420857,0.266152913,0.777307165,0.186432405,0.538638917,0.384842663,0.29932059,7.340037564,9.690210663,19.10823062,0.665960748,1.22280217,5.21583389,1.125019873,0.189427599,0.798715032,0.172277397,0.450605472,0.2602229,0.15148505,6.530281363,7.069049487,14.71087624,0.698072549,0.862313422,5.96179091,1.468848553,0.281696617,0.773020113,0.190454427,0.588199861,0.443583015,0.336008824,7.71233608,10.85015395,21.02929828,0.65953017,1.3677917,5.766251967,1.384397741,0.262691139,0.77782097,0.18674411,0.550262565,0.393975402,0.291954577,7.413340848,9.861198516,19.37154656,0.666731455,1.236192544 +UMLYSI0126,L,methoxybenzene,COC1=CC=CC=C1,aromatic,C7H8O,100-66-3,7519,PubChem,,107.1,0,0.9048,0.81866304,37.5993,18.456344,6,6,16,8,8,0,7,0,1,0,0,0,0,0,0,0,1273.94536,1346.769408,1566.676873,1299.358967,674.402615,265.376329,54.524736,3.048192,0,3429.679045,4064.453346,5056.735605,4502.981765,2929.701557,1672.093419,645.4489321,93.25123329,0,119.88304,122.25192,192.596596,196.115756,163.460324,127.700452,68.781312,20.155392,0,23.72240724,28.32043448,36.27456577,33.94724362,24.24120362,15.7889257,7.121854669,1.333838715,0,2552.352995,2292.433175,3835.778413,4041.290719,3507.564322,3016.300231,1721.996103,554.7529561,0,47.02777778,51.5,72.83333333,68.66666667,51.66666667,31.5,14,3,0,79.621585,84.173088,62.66707492,49.97534488,30.65466432,14.74312939,5.4524736,1.016064,0,214.3549403,254.0283341,202.2694242,173.1916063,133.1682526,92.89407882,64.54489321,31.08374443,0,7.49269,7.640745,7.70386384,7.542913692,7.430014727,7.094469556,6.8781312,6.718464,0,1.482650452,1.770027155,1.450982631,1.305663216,1.101872892,0.877162539,0.712185467,0.444612905,0,159.5220622,143.2770734,153.4311365,155.4342584,159.4347419,167.572235,172.1996103,184.917652,0,2.939236111,3.21875,2.913333333,2.641025641,2.348484848,1.75,1.4,1,0,0.170369255,-0.043221815,-0.03926932,0.006435707,-0.022354319,-0.00927398,0.012598153,0.009900947,0,543.054135,20.945973,-72.07837669,-131.6542736,-262.9447669,-2.618246625,77.60924662,99.21337669,0,844.7408722,-46.18524912,13.3734264,-213.728811,-415.2253393,5.773156141,80.88520285,152.7371779,0,1.007631,0.018387,-0.305412937,-0.172315875,-0.192343125,-0.002298375,0.096500625,0.053667187,0,3.861248463,-0.482480838,0.348461208,-0.954988721,-1.708400336,0.060310105,0.206098889,0.600375462,0,21.56644259,-3.103814896,2.262620707,-5.25843266,-9.086578759,0.387976862,0.883320451,3.131686999,0,7.442708333,-0.144097222,-1.896592882,-0.705512153,-2.697265625,-0.253255208,0.990668403,0.984700521,0,0.010648078,-0.002701363,-0.001570773,2.48E-04,-0.001016105,-5.15E-04,0.001259815,0.003300316,0,33.94088344,1.309123313,-2.883135067,-5.063625909,-11.95203486,-0.145458146,7.760924662,33.07112556,0,52.79630451,-2.88657807,0.534937056,-8.220338883,-18.87387906,0.320730897,8.088520285,50.91239262,0,0.062976938,0.001149188,-0.012216517,-0.006627534,-0.008742869,-1.28E-04,0.009650062,0.017889062,0,0.241328029,-0.030155052,0.013938448,-0.036730335,-0.077654561,0.003350561,0.020609889,0.200125154,0,1.347902662,-0.193988431,0.090504828,-0.20224741,-0.413026307,0.02155427,0.088332045,1.043895666,0,0.465169271,-0.009006076,-0.075863715,-0.027135083,-0.122602983,-0.014069734,0.09906684,0.328233507,0,-0.253694924,-0.14751702,0.023246185,-0.095426177,-0.0483863,0.118313864,0.309944705,0,0.038570691,-0.084945787,-0.149189573,-0.352142715,-0.004285632,0.228660066,0.97437433,0,-0.054673866,0.010132093,-0.155699134,-0.357484851,0.006074874,0.153202395,0.964317353,0,0.018247751,-0.193983988,-0.105237471,-0.138826524,-0.002027528,0.153231689,0.284057358,0,-0.124954621,0.057757271,-0.152200868,-0.321780114,0.013883847,0.085401969,0.829266102,0,-0.143918724,0.067144929,-0.150046005,-0.306421464,0.015990969,0.065532955,0.774459236,0,-0.019360858,-0.163088407,-0.058333782,-0.263566385,-0.030246482,0.212969443,0.705621647,0,1.158205327,1.46756067,1.083418225,1.067530584,0.629391909,0.178585127,0.003415232,0,0.863463951,1.058821854,1.091649861,1.280147627,0.915545735,0.6688063,0,0,1.037624036,0.912888206,1.079910675,1.262355741,0.929509189,0.799514103,0,0,0.855342878,1.56891362,1.206063071,1.146408574,0.54483073,0.070609181,0,0,1.160356841,0.90327782,1.092730885,1.224889528,0.870797283,0.781942132,0,0,1.192244431,0.915147457,1.099312093,1.211313994,0.844979528,0.76047489,0,0,0.871238628,1.308887334,1.059374495,1.245626312,0.797760672,0.403079076,0,0,22.61050027,11.43025014,17.04465439,22.79800027,2.849750034,11.43029839,0.25,0.135029887,0.016878736,-1.601807311,47.9674372,5.99592965,3.096417911,22.61899796,11.43413177,17.05094403,22.80594715,2.850743393,11.43417983,0.249265579,0.135437054,0.016929632,-1.599398637,47.94204961,5.992756201,3.095994385,30.30456665,14.95278609,23.16382983,30.20481803,3.775602254,14.95278735,-0.398994478,0.399477746,0.049934718,-0.734077777,43.0990853,5.387385662,3.010801419,22.62791705,11.43820592,17.05754718,22.81428815,2.851786018,11.43825377,0.2484948,0.135864135,0.016983017,-1.596879922,47.91573316,5.989466645,3.095555127,38.62629667,18.7720012,30.20860857,38.3557231,4.794465388,18.77200123,-1.082294264,0.535704345,0.066963043,-0.499338292,31.49186427,3.936483034,2.759783388,23.50330425,11.83821922,17.71328539,23.63315489,2.954144361,11.83825066,0.173134186,0.176367443,0.02204593,-1.388148572,46.73298945,5.841623681,3.075560262,21.95815569,10.99997319,16.38868148,22.10545212,2.763181514,11.00005364,0.413605442,0.065440248,0.008180031,-2.181294239,50.14853684,6.268567105,3.131991471,0,11.85,15.99491639,-0.348675213,0.105164645,4.660590023,7.342634063,8,16,13,10,2,3,0,0,0,6,10.661656,3.766842139,2.984172865,2.619181914,2.445171661,1.228883067,0.941428501,0.690660533,0.107770261,1.929136121,1.419804803,1.082250302,0.967287576,0.310513972,0.239550769,0.083923071,0.083923071,3.755775342,2.88551421,2.645815032,2.48201622,1.091979087,1.053336623,0.76719018,0.270913902,1.914982218,1.38838197,1.007167592,0.904292275,0.150156259,0.08379992,0.107436056,0.270913902,3.826651508,3.138270217,2.771820215,2.651594666,1.562583604,1.517793787,1.336607129,0.943918427,1.816325779,1.064557485,0.798620231,0.681602348,0.396843083,0.472373782,0.680741196,0.943918427,3.758630551,2.873051932,2.665925019,2.51148735,1.134811365,1.104720884,0.828417247,0.399277246,1.906589605,1.370157479,0.960278991,0.861166487,0.041902902,0.003678515,0.135275596,0.399277246,3.84717544,3.188769109,2.838078588,2.728062377,1.721464227,1.684105313,1.523663297,1.207644823,1.795444599,1.006587679,0.738564276,0.610165105,0.594311107,0.634761391,0.845625821,1.207644823,3.81268455,3.172827911,2.705142425,2.529043438,1.555473184,1.217490681,1.024048234,0.512195122,1.860148589,1.176597971,0.905650187,0.824167992,0.056187812,0.135938595,0.423581568,0.512195122,0,0,0,6,0,0,0,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.032075015,0.01309457,0.204124145,0,0,0,0.068041382,0,0,0,0.49279928,0.594861352,0.49279928,0.146608802,0.146608802,0.097739201,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,4.794999636,2.523056038,1.517176675,0.978907426,0.556577991,0.316378431,0.071550061,0.02618914,0.599374955,0.315382005,0.168575186,0.097890743,0.055657799,0.031637843,0.017887515,0.01309457,9.88211032,15.8820102,15.25098039,15.44,10.67445749,120.4956251,0.617631895,0.992625637,0.953186275,0.965,0.667153593,7.530976572,2.19599,35.055,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,1,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,5,0,0,0,0,0,0,0,0,1,0,0,0,0,5,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.914166667,10.59046296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.482222222,0,0,0,0,2.482222222,0,0,0,0,0,0,0,0,1.662037037,0,0,0,0,9.680740741,0,0,0,0,0.909722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.914166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.914166667,0.909722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.473055556,0,0,0,0,0.473055556,0,0,0,0,0,0,0,0,1.662037037,0,0,0,0,1.916666667,0,0,0,0,0.909722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.914166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.914166667,1.960833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.517708333,0,0,0,0,0.517708333,0,0,0,0,0,0,0,0,1.662037037,0,0,0,0,1.960833333,0,0,0,0,0.909722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.914166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.16666667,2.145833333,0.535972222,4.914166667,0.272083333,0.909722222,3.794485926,0.756944444,1.414166667,2.828333333,0.756944444,1.414166667,2.828333333,3.83333,0.47917,0,0.02083,0.54792,0.79583,0.43333,0.4803,0.79583,0.11458,0.06761,-0.04697,0,0.60209,0.1122,0,0.13043,0.13043,0,11,1.375,4.5,0.5625,6.5,0.8125,2,0.25,0.5,0.0625,3.01453,0.37682,8.02289,5.00837,0.62605,1.44723,0.1809,3.93185,2.48462,0.31058,-0.01785,-0.00223,0.06815,0.00852,0.375,8.01,0,1,1,1,0,0,0.142857143,1.271782222,2.251614472,2.555036533,3.155639062,3.452819531,3.155639062,20.34851555,36.02583155,40.88058452,50.490225,55.2451125,50.490225,0.317945555,0.562903618,0.638759133,0.788909766,0.863204883,0.788909766,2.728217778,1.748385528,1.444963467,0.844360938,0.547180469,0.844360938,0.299388871,0.530050116,0.601478374,0.742865563,0.812824494,0.742865563,10.76402783,17.27636205,20.91742678,24.78938876,25.08889467,21.52272905,27.91485331,24.71237006,21.63119751,17.46691719,16.85845859,20.50921015,6.125,3.111111111,1.8,2,7,0,2.12,0.916,0,1.34123076,0.5,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.344,0.35,0.738,0.678,3.78,9,10,10,10,4,2,0,0,0,61,2.48490665,2.917770732,3.358637767,3.752440936,4.150055169,3.270044111,2.784239339,0,0,0,5.346214275,3.423155738,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,2,0.25,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,9.23,107.252743,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,108.0575149,6.75359468,15.69266546,1.961583183,2.761188405,2.761188405,0,64,7,1.267,34,1.230581484,2.153332839,2.997369304,3.834379809,4.328101472,5.260649928,6.027313303,0,0,0,112.7327021,144.4420694,154.413897,123.1832738,69.10432689,28.37859096,6.124136064,0,0,0,329.6805758,456.9908928,526.1777068,514.9408208,424.6835529,337.24793,187.3514663,0,0,0,9.47510871,16.63935364,22.68066968,28.63184122,30.90452194,36.17246469,40.49428744,0,0,0,2.256138535,3.242158557,3.948755066,4.20255789,3.946423903,3.72816518,2.679821276,0,0,0,175.1584146,327.4747931,462.9757421,614.6039907,719.4668832,906.7561203,1114.556624,0,0,0,4.122105605,6.454405824,8.117356653,9.129328364,7.894312679,7.33741344,6.027313303,0,0,0,0.499724428,0.732961502,0.902554042,0.967369107,0.877300444,0.824453212,0.617196882,0,0,0,224.1649731,132.9296361,13.21739452,85.9321393,-50.95768461,-10.74798404,138.2328338,183.8873207,23.96537856,0.722886361,0.42867099,0.042623404,0.277113639,-0.164328149,-0.034660058,69.51291087,41.2210963,4.098675874,26.64730826,-15.80183085,-3.332918815,0.12672565,0.587953769,0.737289899,12.50795909,288.8234005,21.2737119,0.931396614,0.068603386,678.6363847,26.05065037,8.787777387,757.1942348,27.51716255,9.114561218,1091.059634,33.03119183,10.29475849,1.741276564,1.741276564,372.7513824,299.2814426,101.2476025,1.24548779,3.68158231,2.955936093,3.612210444,3.785524729,6.494290706,0.715558918,2.639619182,1.378629535,5.135810553,6.836322367,2.049408197,3.753677201,3.065173644,2.967191568,4.03719978,1.108196692,0.009307524,1.683519806,7.84E-12,1.18E-44,3.46E-99,1.95E-175,2.11E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0.221638872,1.546206441,0.488022997,1.620528328,0.194008258,1.956249937,2.181725602,0.644368576,0.146598501,0.090605565,4.08E-04,0.011857168,5.52E-14,8.34E-47,2.43E-101,1.37E-177,1.49E-275,0,0,0,0,0,0,0,0,0,0,0,0,0,0.715198302,1.234577282,1.175624585,1.761882495,0.572652645,1.605088808,1.869958519,0.94783167,0.577983743,0.294065399,0.001562332,0.123560829,5.76E-13,8.69E-46,2.54E-100,1.43E-176,1.55E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,2.491593233,1.545571343,5.588748009,6.799576713,1.935867367,4.038573736,3.272307093,3.160108531,3.720866175,1.044396953,0.00852847,1.499985838,6.99E-12,1.05E-44,3.08E-99,1.73E-175,1.88E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,1.054012032,1.116155784,1.514952581,2.069939831,0.832585682,1.610669343,1.824482428,1.106551597,0.969106745,0.434996576,0.002551485,0.268390631,1.25E-12,1.89E-45,5.51E-100,3.10E-176,3.37E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,3.187697601,1.484374546,6.848952979,9.289612263,2.470127018,4.546893118,3.542081854,3.887645492,5.552878801,1.346129392,0.012457944,2.455255417,1.14E-11,1.73E-44,5.04E-99,2.84E-175,3.08E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,1.385034939,1.74771407,3.558863509,4.037860328,0.914311629,3.646996579,3.195265337,2.124295631,1.505215827,0.573275924,0.003609534,0.441661056,2.06E-12,3.11E-45,9.06E-100,5.10E-176,5.54E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,3.886035496,1.562935907,0.210799764,0.686606469,0.276148251,0.542804265,0.432429203,0.321093812,5.659771167,7.222266299,14.16235606,0.529909703,1.296327279,2.643742926,0.815318523,0.159029343,0.730701101,0.22534496,0.254181544,0.117503888,0.135926634,3.618090792,2.705584849,6.66646221,0.596051652,0.507612066,3.036045754,1.098539839,0.15875721,0.707151954,0.255870516,0.331433925,0.213520983,0.173172304,4.293342803,3.991612487,8.814445069,0.560727932,0.718127212,3.820715063,1.510553917,0.217576846,0.688560321,0.272228489,0.524696025,0.403856776,0.332784415,5.548845826,6.931356795,13.73592478,0.532840481,1.261337216,3.266599182,1.245145097,0.16044903,0.69915754,0.266501194,0.383499388,0.274425699,0.186551448,4.672193308,4.791294946,10.11609703,0.548736311,0.844476535,4.01206714,1.626291966,0.221905301,0.684622205,0.277511705,0.578590121,0.468201849,0.35505202,5.860264407,7.775974331,15.08412479,0.526933308,1.40184399,3.835173888,1.528663366,0.211235035,0.687914647,0.274196152,0.528651267,0.41364587,0.319118945,5.575072289,6.995720176,13.80919796,0.531871971,1.261416082 +UMLYSI0127,L,cis + trans decahydronaphthalene,C1CCC2CCCCC2C1,aromatic,C10H18,91-17-8,7044,UML,"stereochemistry not specifiied (see below) +cis: C1C[C@H]2CCCC[C@H]2CC1 +trans: C1C[C@H]2CCCC[C@@H]2CC1",105.5,0,-0.7418,0.55026724,35.0592,29.602274,0,0,28,10,18,0,10,0,0,0,0,0,0,0,0,0,1460.930362,1804.832915,2487.89555,2345.839788,1438.939158,619.740914,121.24224,8.128512,0,4794.676417,6723.945014,10537.898,11615.32397,8832.862308,4844.062374,1663.902797,248.6699554,0,196.337512,211.063052,429.784952,653.84184,627.157464,454.64276,218.184192,53.747712,0,35.89203229,50.72169758,84.91618702,101.5891527,83.51386583,50.08737963,19.5790642,3.556903239,0,4596.461297,4150.943776,9073.119015,14973.69708,14894.86432,11325.23594,5663.00403,1479.341216,0,39.55555556,49.94444444,92.83333333,128.3333333,118.1666667,80.5,36,8,0,52.17608436,62.23561776,41.46492583,25.22408374,15.98821287,9.390013848,3.78882,1.016064,0,171.2384435,231.8601729,175.6316334,124.8959567,98.14291453,73.39488445,51.99696242,31.08374443,0,7.012054,7.278036276,7.163082533,7.030557419,6.968416267,6.888526667,6.818256,6.718464,0,1.281858296,1.749024054,1.415269784,1.092356481,0.927931843,0.758899691,0.611845756,0.444612905,0,164.159332,143.1359923,151.2186502,161.0074955,165.4984924,171.5944839,176.9688759,184.917652,0,1.412698413,1.722222222,1.547222222,1.379928315,1.312962963,1.21969697,1.125,1,0,0.036870922,9.44E-04,-0.012645419,-0.008225513,-0.011527987,0.001703548,0.005737944,0.005578082,0,778.2814864,50.03238127,-232.2490785,-224.2191901,-305.1357574,50.65006499,148.2440927,123.5367439,0,1447.247658,93.03734943,-431.8770788,-416.9451586,-567.4129706,94.18595868,275.6662205,229.7218504,0,0.15246,0.009801,-0.045496,-0.043923,-0.059774,0.009922,0.02904,0.0242,0,6.469870403,0.41592024,-1.930691485,-1.863938854,-2.536599983,0.421055058,1.232356267,1.026963556,0,35.14443871,2.259285346,-10.48754679,-10.12494544,-13.77885137,2.287177757,6.694178802,5.578482335,0,1.444444444,-0.027777778,-0.5,-0.194444444,-0.444444444,-2.57E-15,0.222222222,0.222222222,0,0.001316819,3.25E-05,-2.11E-04,-8.84E-05,-1.28E-04,2.58E-05,1.79E-04,6.97E-04,0,27.79576737,1.725254527,-3.870817975,-2.410959034,-3.390397304,0.767425227,4.632627895,15.44209298,0,51.68741635,3.208184463,-7.197951314,-4.483281275,-6.304588562,1.42705998,8.614569392,28.71523131,0,0.005445,3.38E-04,-7.58E-04,-4.72E-04,-6.64E-04,1.50E-04,9.07E-04,0.003025,0,0.2310668,0.014342077,-0.032178191,-0.020042353,-0.028184444,0.006379622,0.038511133,0.128370444,0,1.255158525,0.077906391,-0.174792447,-0.108870381,-0.153098349,0.034654208,0.209193088,0.697310292,0,0.051587302,-9.58E-04,-0.008333333,-0.0020908,-0.004938272,-3.90E-17,0.006944444,0.027777778,0,0.024716904,-0.160050119,-0.06716671,-0.09727136,0.019601279,0.136169674,0.529503674,0,0.062068966,-0.139259259,-0.086738351,-0.121975309,0.027609428,0.166666667,0.555555556,0,0.062068966,-0.139259259,-0.086738351,-0.121975309,0.027609428,0.166666667,0.555555556,0,0.062068966,-0.139259259,-0.086738351,-0.121975309,0.027609428,0.166666667,0.555555556,0,0.062068966,-0.139259259,-0.086738351,-0.121975309,0.027609428,0.166666667,0.555555556,0,0.062068966,-0.139259259,-0.086738351,-0.121975309,0.027609428,0.166666667,0.555555556,0,-0.018567639,-0.161538462,-0.040529363,-0.095726496,-7.56E-16,0.134615385,0.538461538,0,1.342958085,1.317299795,1.036601397,1.018917915,0.812883116,0.57060625,0,0,1.303448276,1.33,1.083870968,1.026666667,0.763636364,0.525,0,0,1.303448276,1.33,1.083870968,1.026666667,0.763636364,0.525,0,0,1.303448276,1.33,1.083870968,1.026666667,0.763636364,0.525,0,0,1.303448276,1.33,1.083870968,1.026666667,0.763636364,0.525,0,0,1.303448276,1.33,1.083870968,1.026666667,0.763636364,0.525,0,0,1.396551724,1.298076923,0.993796526,1.026923077,0.84965035,0.584134615,0,0,44.3179778,22.1589889,32.1589889,44.3179778,4.43179778,22.1589889,-7.11E-15,5.27E-16,5.27E-17,-35.17865595,5000017.121,500001.7121,15.42495189,44.3179778,22.1589889,32.1589889,44.3179778,4.43179778,22.1589889,-7.11E-15,5.27E-16,5.27E-17,-35.17865595,5000017.121,500001.7121,15.42495189,44.3179778,22.1589889,32.1589889,44.3179778,4.43179778,22.1589889,-7.11E-15,5.27E-16,5.27E-17,-35.17865595,5000017.121,500001.7121,15.42495189,44.3179778,22.1589889,32.1589889,44.3179778,4.43179778,22.1589889,-7.11E-15,5.27E-16,5.27E-17,-35.17865595,5000017.121,500001.7121,15.42495189,44.3179778,22.1589889,32.1589889,44.3179778,4.43179778,22.1589889,-7.11E-15,5.27E-16,5.27E-17,-35.17865595,5000017.121,500001.7121,15.42495189,44.3179778,22.1589889,32.1589889,44.3179778,4.43179778,22.1589889,-7.11E-15,5.27E-16,5.27E-17,-35.17865595,5000017.121,500001.7121,15.42495189,46.18351955,22.82289526,33.2900438,46.17463066,4.617463066,22.82289526,-0.022222222,0.015709334,0.001570933,-4.153500225,259.8331903,25.98331903,5.560039849,0,11.9,12.10017173,-0.143946198,0.056569926,7.2238125,9.245567794,11,29,29,29,11,0,0,0,0,0,19.677726,3.743078852,3.249775395,2.928531694,2.641561682,2.459820995,1.654987929,1.35766293,1.206347075,2.06430613,1.724171079,1.463302891,1.233185461,1.189098848,0.757863935,0.599975085,0.547818336,3.764442493,3.282201666,2.964117745,2.680442741,2.510897621,1.741743155,1.459126341,1.314693054,2.016427941,1.655976007,1.385504819,1.146920766,1.088863242,0.62194973,0.452121925,0.393253775,3.858666694,3.424346443,3.122523201,2.854988672,2.734801489,2.104797839,1.876942851,1.778468089,1.877563723,1.452583651,1.154354357,0.890259254,0.778913401,0.172849073,0.046080835,0.137605973,3.780191068,3.306076094,2.990466187,2.709324748,2.548571849,1.804861679,1.532597305,1.39352899,1.986131194,1.612285733,1.335684977,1.091608351,1.023618422,0.531260614,0.352776267,0.28876486,3.904834438,3.493124,3.200205685,2.941128325,2.841861735,2.268045511,2.060904076,1.978039144,1.834731193,1.38842831,1.082182257,0.810360657,0.678434677,0.016182923,0.22393272,0.332554811,3.806025351,3.381570076,3.055649123,2.763935841,2.654572333,1.964241149,1.705927834,1.594952224,1.938833505,1.508440758,1.234970512,0.994538839,0.877729683,0.33199289,0.139731373,0.058990633,0,0,0,0,0,0,8,2,0,0,0,0,0.166666667,0.23570226,0,0,0,0.166666667,0.23570226,0.333333333,0,0.083333333,0,0.333333333,0,0.083333333,0,0.942809042,1.5,1.885618083,0.942809042,1.5,1.885618083,6.811554788,4.966326495,4.089073412,3.466326495,2.857589235,2.316496581,1.140119483,0.704124145,0.681155479,0.451484227,0.292076672,0.192573694,0.12989042,0.089096022,0.063339971,0.044007759,6.811554788,4.966326495,4.089073412,3.466326495,2.857589235,2.316496581,1.140119483,0.704124145,0.681155479,0.451484227,0.292076672,0.192573694,0.12989042,0.089096022,0.063339971,0.044007759,14.87645023,26.99053168,25.52941176,25.84,17.18699042,213.9969904,0.531301794,0.96394756,0.911764706,0.922857143,0.613821086,7.642749658,3.3668,43.916,69.06175437,80.55467971,138.1235087,13.81235087,69.06175437,1.05E-15,1.05E-16,-34.48550877,35.25843786,3.525843786,3.562704872,90,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,12.35648148,0,0,0,2.310185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.528935185,0,0,0,1.155092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.560185185,0,0,0,1.155092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66666667,1.466666667,0.2,1.560185185,0.2,1.155092593,6.937652778,0.178240741,0.060185185,0.712962963,0.178240741,0.060185185,0.712962963,5,0.5,0,0,0.44286,0.7,0.44286,0.44286,0.7,0,0,0,0,0.71429,0,0,0,0.2,0,5.5,0.55,5.5,0.55,0,0,-5.5,-0.55,0,0,10.92696,1.0927,10.92696,0,0,4.96631,0.49663,4.96631,0,0,-0.05231,-0.00523,0.11969,0.01197,0.357142857,31,0,0,0,0,0,0,1,0.940285959,1.198117421,1.807354922,2.378783493,2.182005815,2.120952031,26.32800684,33.54728779,50.60593782,66.60593782,61.09616281,59.38665687,0.195593205,0.249225913,0.375956207,0.494821691,0.453889062,0.441188983,3.867068963,3.609237501,3,2.428571429,2.625349107,2.686402891,0.193554886,0.246628676,0.372038286,0.489665047,0.449158985,0.436591257,6.779097864,9.873075414,13.62770164,14.20360166,11.84226951,13.94375265,39.20654966,35.42600366,30.43931939,31.3199826,35.57548876,31.9500736,6.694214876,2.93877551,1.382716049,0,0,0,2.56,1.3004,0,0,0,0,11.67863166,8.596559455,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.093,0.104,0.349,0.426,5.02,14,18,22,26,18,16,14,12,0,161,2.48490665,2.708050201,2.944438979,3.135494216,3.295836866,2.944438979,2.833213344,2.708050201,2.564949357,0,5.087596335,1,0.4,2,0,0,0,2,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,3,0,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,3,5,0.666666667,1,0.888888889,0.25,0.284444444,0,0,0,0,0,0,0.090909091,0.063492063,0.020833333,0.047407407,0,0,0,0,0,0,0.222641895,22.1589889,32.1589889,44.3179778,4.43179778,22.1589889,5.27E-16,5.27E-17,-35.17865595,5000017.121,500001.7121,15.42495189,0,156.8033876,4.321928095,3.931825633,4.744932128,5.572154032,6.401917197,7.23489842,8.068089626,8.902047346,9.735956081,10.57005972,86.16188019,3.135494216,0,4.369447852,0,5.84932478,0,7.43543802,0,9.066816362,9.288504393,138.1408506,4.933601806,20.65842448,2.065842448,0,0,0,109,12,5.228,50,1.270785685,2.19826069,2.916146598,3.63107027,4.682064841,5.473553678,6.348633768,0,0,0,92.03105568,100.0206354,81.68676499,67.7685383,47.14499191,21.48875073,6.450618221,0,0,0,324.8852768,409.7395091,387.0347176,390.6898338,357.7638378,290.2682871,197.3393095,0,0,0,9.290239855,15.79316746,20.55224329,25.40714085,32.30486504,37.34709872,42.65306742,0,0,0,2.386712269,3.250396779,3.323532718,3.598942682,3.654782148,3.394231839,2.822684502,0,0,0,179.3166937,329.1490399,465.9418552,593.0426408,799.3531702,966.4973209,1173.97445,0,0,0,2.251524163,3.466013791,4.095301022,4.911406611,5.779415433,6.191578897,6.348633768,0,0,0,0.492025051,0.679927327,0.706002754,0.773432704,0.799571081,0.758092437,0.650100098,0,0,0,347.0506932,168.2209424,9.273338275,31.41720281,-15.2284135,-1.630747056,315.6334904,183.4493559,10.90408533,0.91698846,0.444478763,0.024502311,0.08301154,-0.040237002,-0.004308812,131.3475457,63.66622613,3.509660826,11.89040265,-5.763465618,-0.617185407,0.062153552,0.108408697,0.567860086,1.486457999,378.4678961,0,1,0,680.4474022,26.08538676,8.795587501,854.8140517,29.23720321,9.490531847,1229.04773,35.05777703,10.71164694,1.830130358,1.830130358,619.3488166,473.5784152,205.7930662,1.307806261,3.009570867,2.301236013,4.224271539,3.959912203,7.268697914,0.835570473,5.020209997,7.823463834,6.572015318,32.93681581,9.704162098,16.34440588,18.07766377,8.01949668,12.02718399,4.822135872,6.153177405,0.095724794,0.068412829,0.004766654,5.94E-24,1.43E-66,6.67E-131,5.99E-217,0,0,0,0,0,0,0,0,0,0,0,0,0.42131147,7.823126418,0.50692399,11.83897913,2.788685022,1.105172193,1.385872457,0.505760001,1.609644429,0.115782287,0.132474382,7.40E-04,4.82E-04,3.36E-05,4.18E-26,1.01E-68,4.70E-133,4.22E-219,0,0,0,0,0,0,0,0,0,0,0,0,1.360044705,7.823149673,1.665812494,14.0016981,3.449631013,3.735725229,4.053639738,1.633683763,2.896790904,0.563983417,0.68061873,0.007194147,0.005021115,3.50E-04,4.36E-25,1.05E-67,4.90E-132,4.40E-218,0,0,0,0,0,0,0,0,0,0,0,0,4.738668725,7.823427039,6.172722637,30.8868162,9.015246332,15.24162763,16.79423499,7.415956016,11.09251475,4.352722792,5.543746433,0.085334224,0.060954599,0.004247003,5.29E-24,1.28E-66,5.94E-131,5.34E-217,0,0,0,0,0,0,0,0,0,0,0,0,2.004455641,7.823179182,2.484847251,16.12287527,4.126233332,5.684068886,6.104516514,2.528455541,4.029580797,1.023821197,1.259049073,0.015465271,0.010906532,7.60E-04,9.47E-25,2.29E-67,1.06E-131,9.55E-218,0,0,0,0,0,0,0,0,0,0,0,0,6.062630606,7.823618392,8.082199361,41.38815378,12.5564251,20.62034165,23.12661514,10.41713212,15.82496805,6.766006357,8.683090629,0.13939171,0.099773682,0.006951717,8.66E-24,2.09E-66,9.73E-131,8.74E-217,0,0,0,0,0,0,0,0,0,0,0,0,3.457444913,7.599861973,4.312725741,22.34960461,6.155691548,10.16649555,11.24430237,4.923695317,7.364381168,2.488852504,3.129960569,0.044698438,0.031803485,0.002215903,2.76E-24,6.66E-67,3.10E-131,2.78E-217,0,0,0,0,0,0,0,0,0,0,0,0,3.953262618,1.878818653,0.72933402,0.60250151,0.286343505,0.533605778,0.506382947,0.394753044,6.56141529,11.68099882,23.65951596,0.403752264,1.434741769,3.210871592,1.272428172,0.21718646,0.683093501,0.270701394,0.35189167,0.232314081,0.03495653,4.700486224,5.059315474,10.64713945,0.524640252,0.619162281,3.496011253,1.505455356,0.413971644,0.645563866,0.277993264,0.417207817,0.325192611,0.12707615,5.415438254,7.333554223,14.92776203,0.468345798,0.869476578,3.933871907,1.86299291,0.715965143,0.604018826,0.286049678,0.528377823,0.497894995,0.380402141,6.51282996,11.47912862,23.23910636,0.406028239,1.406674959,3.627138092,1.612564333,0.504433264,0.631450629,0.280732284,0.449118144,0.373097219,0.188728912,5.744135689,8.492073715,17.1866363,0.447175943,1.010944275,4.014321816,1.928648005,0.77142853,0.597867688,0.287240629,0.550237007,0.533574824,0.441677412,6.71439835,12.32679023,25.01375316,0.396801531,1.525489243,3.942802891,1.868342534,0.719970421,0.603695139,0.286067891,0.530781217,0.500746052,0.384682141,6.531115845,11.55035916,23.38514167,0.405542709,1.416209409 +UMLYSI0128,L,"1,4-cyclohexadiene",C1C=CCC=C1,aliphatic,C6H8,628-41-1,12343,PubChem,,101.4,0,1.0604,1.12444816,30.368,15.894344,0,0,14,6,8,0,6,0,0,0,0,0,0,0,0,0,873.713238,962.44143,1061.330262,636.666411,107.017344,6.096384,0,0,0,2789.771366,3458.994341,4439.054761,3417.174011,1228.730375,186.5024666,0,0,0,98.990808,102.184152,172.562136,203.6883,124.125696,40.310784,0,0,0,20.29030324,25.64175448,35.43933477,30.62953801,13.35448353,2.667677429,0,0,0,2240.107353,1985.746518,3580.562204,4679.520352,3074.156902,1109.505912,0,0,0,28.5,34,52,50.25,24,6,0,0,0,62.40808843,68.74581643,44.22209425,21.95401417,5.945408,1.016064,0,0,0,199.2693833,247.0710244,184.9606151,117.8335866,68.26279863,31.08374443,0,0,0,7.070772,7.298868,7.190089,7.023734483,6.895872,6.718464,0,0,0,1.449307374,1.831553891,1.476638949,1.056190966,0.741915752,0.444612905,0,0,0,160.0076681,141.839037,149.1900918,161.3627708,170.7864946,184.917652,0,0,0,2.035714286,2.428571429,2.166666667,1.732758621,1.333333333,1,0,0,0,0.046692287,-0.001885002,-0.024380482,-0.009550722,0.001034338,0.011435724,0,0,0,415.0834594,2.77E-13,-192.7173204,-133.4196834,-14.82440927,133.4196834,0,0,0,771.8654175,1.85E-13,-358.3660867,-248.0995985,-27.56662205,248.0995985,0,0,0,0.081312,1.25E-15,-0.037752,-0.026136,-0.002904,0.026136,0,0,0,3.450597548,-1.67E-16,-1.602063147,-1.10912064,-0.123235627,1.10912064,0,0,0,18.74370065,2.89E-14,-8.702432443,-6.024760922,-0.66941788,6.024760922,0,0,0,2.714285714,0.071428571,-1.510204082,-0.836734694,0.153061224,0.765306122,0,0,0,0.003335163,-1.35E-04,-0.001015853,-3.29E-04,5.75E-05,0.001905954,0,0,0,29.64881853,1.98E-14,-8.029888352,-4.600678738,-0.823578293,22.2366139,0,0,0,55.13324411,1.32E-14,-14.93192028,-8.555158568,-1.531479003,41.34993308,0,0,0,0.005808,8.92E-17,-0.001573,-9.01E-04,-1.61E-04,0.004356,0,0,0,0.246471253,-1.19E-17,-0.066752631,-0.038245539,-0.006846424,0.18485344,0,0,0,1.33883576,2.06E-15,-0.362601352,-0.207750377,-0.037189882,1.00412682,0,0,0,0.193877551,0.005102041,-0.06292517,-0.02885292,0.008503401,0.12755102,0,0,0,-0.040370733,-0.3045888,-0.098746358,0.01722951,0.571472439,0,0,0,6.68E-16,-0.270833333,-0.155172414,-0.027777778,0.75,0,0,0,2.39E-16,-0.270833333,-0.155172414,-0.027777778,0.75,0,0,0,1.54E-14,-0.270833333,-0.155172414,-0.027777778,0.75,0,0,0,-4.83E-17,-0.270833333,-0.155172414,-0.027777778,0.75,0,0,0,1.54E-15,-0.270833333,-0.155172414,-0.027777778,0.75,0,0,0,0.026315789,-0.324561404,-0.148820327,0.043859649,0.657894737,0,0,0,1.078164008,1.349279935,1.048472548,0.728737864,0,0,0,0,1.083333333,1.263888889,1.045977011,0.842592593,0,0,0,0,1.083333333,1.263888889,1.045977011,0.842592593,0,0,0,0,1.083333333,1.263888889,1.045977011,0.842592593,0,0,0,0,1.083333333,1.263888889,1.045977011,0.842592593,0,0,0,0,1.083333333,1.263888889,1.045977011,0.842592593,0,0,0,0,1.026315789,1.396929825,1.073502722,0.665204678,0,0,0,0,15,7.5,11.5,15,2.5,7.501971149,-1.78E-15,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,15,7.5,11.5,15,2.5,7.501971149,-1.78E-15,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,15,7.5,11.5,15,2.5,7.501971149,-1.78E-15,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,15,7.5,11.5,15,2.5,7.501971149,-1.78E-15,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,15,7.5,11.5,15,2.5,7.501971149,-1.78E-15,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,15,7.5,11.5,15,2.5,7.501971149,-1.78E-15,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,16.21114958,7.966685902,12.36483405,16.17411254,2.695685424,7.967926453,-0.111111111,7.22E-16,1.20E-16,-20.91899904,4000004,666667.3333,9.121083551,0,11.8,12.2000406,-0.283910476,0.116140617,6.469625,6.892446621,6,14,12,12,4,2,2,0,0,2,8.745656,3.651216332,2.78450423,2.575436568,1.397562325,0.86540559,0.688243524,0.083923071,0.083923071,1.936543057,1.224439863,1.195696082,0.573504456,0.286367597,0.24227909,0.083923071,0.083923071,3.669512741,2.808317244,2.618897294,1.491194037,0.985397903,0.832040601,0.270913902,0.270913902,1.892596353,1.131777236,1.128697564,0.4307273,0.12318978,0.072888175,0.270913902,0.270913902,3.751324343,2.920211412,2.812965486,1.88172052,1.473624795,1.383117029,0.943918427,0.943918427,1.767959019,0.943919931,0.851903085,0.045499794,0.437920577,0.520908638,0.943918427,0.943918427,3.683058556,2.826249575,2.65114032,1.559288667,1.07208815,0.933369068,0.399277246,0.399277246,1.865043076,1.087024467,1.071994059,0.335125384,0.012758767,0.042414889,0.399277246,0.399277246,3.792101957,2.978812762,2.907866796,2.056040928,1.684196176,1.610293121,1.207644823,1.207644823,1.730364943,0.890764915,0.763549211,0.213281109,0.643045624,0.744909534,1.207644823,1.207644823,3.707549542,2.925315304,2.606599917,1.609149698,1.201343608,1.061896424,0.545454545,0.545454545,1.840780113,1.082739379,0.979193534,0.241929791,0.125261895,0.180253701,0.545454545,0.545454545,0,0,0,4,0,0,2,0,0,0,0,0,0.125,0,0,0,0,0.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,3.723614639,2.299659829,1.414213562,0.877664387,0.54203502,0.333333333,0,0,0.62060244,0.383276638,0.23570226,0.146277398,0.09033917,0.055555556,0,0,8.167311215,13.55134741,12.90196078,13.04,9.194217964,105.5984096,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,1.74498,26.974,21,27,42,7,21,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,36,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,2,0,4,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.722222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.438888889,0,0,0,0.761111111,0,1.438888889,0,0,0,0,0,0,0,0,0,0,2.277777778,0,8.722222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0,0,0.380555556,0,0.359722222,0,0,0,0,0,0,0,0,0,0,1.138888889,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0,0,0.380555556,0,0.359722222,0,0,0,0,0,0,0,0,0,0,1.138888889,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.380555556,2.180555556,0.359722222,1.138888889,3.540111111,0.361111111,0.180555556,1.444444444,0.361111111,0.180555556,1.444444444,3,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0,0,0,5,0.83333,3,0.5,2,0.33333,-1,-0.16667,0,0,3.20465,0.53411,5,1.79535,0.29922,1.91421,0.31904,3,1.08579,0.18096,-0.086,-0.01433,0,0,0.428571429,6,0,0,0,0,0,0,0.333333333,0.985228136,1.950212065,1.950212065,1.950212065,1.950212065,1.950212065,13.7931939,27.30296891,27.30296891,27.30296891,27.30296891,27.30296891,0.258769712,0.512222292,0.512222292,0.512222292,0.512222292,0.512222292,2.822126786,1.857142857,1.857142857,1.857142857,1.857142857,1.857142857,0.246307034,0.487553016,0.487553016,0.487553016,0.487553016,0.487553016,6.75154531,12.05010962,12.05010962,12.05010962,12.05010962,12.05010962,22.55053414,21.3369963,21.3369963,21.3369963,21.3369963,21.3369963,4.166666667,2.222222222,1.333333333,0,2,0,2.12,0.7594,0,0,0,0,9.125465128,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.115,0.112,0.477,0.52,3.004,6,6,6,6,0,0,0,0,0,36,2.197224577,2.397895273,2.564949357,2.833213344,3.044522438,0,0,0,0,0,4.290459441,2,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,13,18,3,9.000420062,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,0,94.70299035,3.584962501,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,65.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921172722,80.06260026,5.718757161,11.8125,1.96875,0,0,0,27,3,2.76,24,1.278845043,2.2770053,3.089788061,4.038656586,4.555454764,0,0,0,0,0,100.8926929,110.2353161,67.11151225,22.96312626,4.628633589,0,0,0,0,0,346.2869042,445.6602336,370.8222624,267.7830463,141.6005917,0,0,0,0,0,9.375647173,16.41632717,21.75262506,27.8123291,30.60565884,0,0,0,0,0,2.506788799,3.503500714,3.331373449,2.933114857,2.025413976,0,0,0,0,0,178.8047956,336.6729662,494.4021489,692.7533068,842.3839989,0,0,0,0,0,3.232064494,5.056255723,5.434434786,5.32436844,4.555454764,0,0,0,0,0,0.515346051,0.731471187,0.712398491,0.647538629,0.466478568,0,0,0,0,0,226.6403845,83.56119038,10.42669045,88.99968363,-32.81374378,-5.882894554,137.6407009,116.3749342,16.309585,0.718034266,0.264735687,0.033033482,0.281965734,-0.103959374,-0.018637984,71.53678641,26.37525983,3.291081283,28.09186621,-10.35733232,-1.856877238,0.155174427,0.227587741,3.98202034,4.917084024,315.6400681,0,1,0,408.9438978,20.22236133,7.422574706,487.2894356,22.07463331,7.869171288,595.2610613,24.39797248,8.412062513,1.112675271,1.050926565,199.4273886,109.1072508,104.1055791,1.827810592,1.915626332,1.048044223,3.210631455,3.915300274,4.993676917,0.275426294,2.557984613,0.257945033,6.888108942,5.492687565,2.191802853,2.333973162,5.883262652,2.334835678,2.721071645,7.91E-12,1.05E-44,2.87E-99,1.52E-175,1.55E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.214808466,0.257860375,0.87030454,0.662293357,1.037833122,0.16292089,0.306727785,0.016444453,0.01916473,5.57E-14,7.40E-47,2.02E-101,1.07E-177,1.09E-275,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.693100673,0.257866251,2.088247157,1.590883995,1.126080273,0.547642361,1.113383325,0.171363766,0.199711264,5.81E-13,7.71E-46,2.11E-100,1.12E-176,1.14E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.414537048,0.257935816,6.516017175,5.17666956,2.069046846,2.18038997,5.42455002,2.080296564,2.424425847,7.05E-12,9.36E-45,2.56E-99,1.35E-175,1.38E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.021433278,0.257873671,2.927420364,2.245374358,1.230396388,0.829092621,1.765596098,0.372224962,0.433799551,1.26E-12,1.67E-45,4.58E-100,2.42E-176,2.48E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.089106378,0.257983742,8.269982557,6.685814497,2.705480997,2.926095147,7.714878432,3.405138358,3.968427264,1.15E-11,1.53E-44,4.19E-99,2.22E-175,2.26E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.356233524,0.246099228,4.110975339,3.11639327,1.182469529,1.114366256,2.575110362,0.694661882,0.809575035,2.35E-12,3.12E-45,8.55E-100,4.52E-176,4.62E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.194041394,1.838305441,0.332277699,0.502687316,0.421182951,0.548441493,0.449672453,0.255220347,4.364624534,5.373177162,11.0779834,0.385805401,1.253334292,1.276568812,1.214122285,0.086984294,0.49524033,0.471014422,0.185679502,0.196139311,0.017485385,2.577675391,1.76656165,4.479054924,0.449382129,0.399304197,1.597587041,1.432520674,0.172811615,0.498790908,0.447254684,0.29079791,0.273059842,0.069023211,3.20291933,2.812214273,6.410626199,0.419068388,0.632880963,2.166390095,1.81949349,0.32488497,0.502553099,0.422080997,0.534705678,0.440516167,0.243988813,4.310768555,5.236686343,10.8280646,0.386951144,1.219210658,1.757488466,1.5413062,0.215562505,0.500088176,0.438574147,0.351917188,0.31610847,0.107403057,3.51435717,3.419924309,7.5182032,0.407993485,0.775428715,2.282629437,1.898574355,0.355962191,0.503095863,0.418449394,0.593620692,0.479641154,0.292905454,4.537165984,5.822092177,11.90190636,0.382317886,1.3661673,2.159501547,1.824674567,0.324720882,0.501172701,0.423466741,0.531315837,0.443034804,0.243740745,4.308896995,5.234132729,10.82255584,0.386959163,1.218091386 +UMLYSI0129,L,bicyclohexyl,C1CCC(CC1)C2CCCCC2,aromatic,C12H22,92-51-3,7094,PubChem,,100.3,0,-1.3178,1.73659684,40.8824,35.789446,0,0,34,12,22,0,12,0,0,0,0,0,0,0,0,0,1753.52286,2141.789509,2875.312624,2739.353246,2096.766682,1658.889128,1001.061604,370.491577,64.685376,5766.045198,8029.925283,12364.99223,13628.92066,11464.01957,9115.811391,6484.65413,3253.982585,956.2863764,238.2924,254.614612,515.243968,779.61164,753.773032,626.40656,499.790992,336.413476,135.965952,43.24828391,60.75367482,100.2915673,119.6322105,104.9076349,84.18885159,62.79508249,34.83322192,11.56798372,5589.720618,5017.022679,10921.52341,17931.60739,17800.11824,14969.38835,12064.13442,8494.119984,3571.172623,48.05555556,60.44444444,111.3333333,152.3333333,143,118.3333333,93,58.25,22,51.57420176,61.19398597,39.93489756,24.67885807,19.41450631,18.43210142,13.90363339,7.561052592,3.2342688,169.5895647,229.4264367,171.7360031,122.783069,106.1483293,101.2867932,90.0646407,66.40780787,47.81431882,7.0086,7.2747032,7.156166222,7.023528288,6.979379926,6.960072889,6.941541556,6.865581143,6.7982976,1.27200835,1.735819281,1.392938435,1.077767662,0.97136699,0.935431684,0.872153924,0.71088208,0.578399186,164.4035476,143.3435051,151.6878252,161.5460125,164.8159097,166.3265372,167.5574226,173.3493874,178.5586312,1.413398693,1.726984127,1.546296296,1.372372372,1.324074074,1.314814815,1.291666667,1.18877551,1.1,0.045233616,9.44E-04,-0.016829988,-0.009806476,-0.004204542,0.003124878,-0.007161851,0.002950323,0.005579573,940.0419522,50.68853664,-309.9960092,-220.3485147,-151.6466964,18.43219514,-139.0792906,90.90423513,130.7010201,1748.048151,94.25749836,-576.4508164,-409.7474722,-281.9935075,34.27545395,-258.6238798,169.040307,243.044128,0.184147765,0.009929536,-0.06072609,-0.043164761,-0.029706547,0.00361074,-0.027244678,0.017807516,0.025603433,7.814588565,0.421374874,-2.577003359,-1.831761847,-1.260642184,0.153227227,-1.156169075,0.755688823,1.086520335,42.44896911,2.288915001,-13.99832315,-9.950159426,-6.84782835,0.832332728,-6.280328763,4.10491368,5.901995705,1.777777778,-0.027777778,-0.666666667,-0.305555556,-0.111111111,0.111111111,-0.333333333,0.111111111,0.222222222,0.0013304,2.70E-05,-2.34E-04,-8.83E-05,-3.89E-05,3.47E-05,-9.95E-05,6.02E-05,2.79E-04,27.64829271,1.448243904,-4.305500128,-1.985121754,-1.404136078,0.204802168,-1.931656814,1.855188472,6.535051005,51.41318092,2.693071382,-8.006261339,-3.691418669,-2.611050995,0.380838377,-3.591998331,3.449802183,12.1522064,0.005416111,2.84E-04,-8.43E-04,-3.89E-04,-2.75E-04,4.01E-05,-3.78E-04,3.63E-04,0.001280172,0.22984084,0.012039282,-0.035791713,-0.016502359,-0.011672613,0.001702525,-0.016057904,0.015422221,0.054326017,1.248499091,0.065397571,-0.194421155,-0.089641076,-0.063405818,0.009248141,-0.087226788,0.083773749,0.295099785,0.052287582,-7.94E-04,-0.009259259,-0.002752753,-0.001028807,0.001234568,-0.00462963,0.002267574,0.011111111,0.020266314,-0.175698852,-0.066406042,-0.029262579,0.026098053,-0.074767074,0.04525755,0.209695256,0.052380952,-0.155723906,-0.071799072,-0.050785634,0.007407407,-0.06986532,0.067099567,0.236363636,0.052380952,-0.155723906,-0.071799072,-0.050785634,0.007407407,-0.06986532,0.067099567,0.236363636,0.052380952,-0.155723906,-0.071799072,-0.050785634,0.007407407,-0.06986532,0.067099567,0.236363636,0.052380952,-0.155723906,-0.071799072,-0.050785634,0.007407407,-0.06986532,0.067099567,0.236363636,0.052380952,-0.155723906,-0.071799072,-0.050785634,0.007407407,-0.06986532,0.067099567,0.236363636,-0.015178571,-0.177083333,-0.052646396,-0.019675926,0.023611111,-0.088541667,0.043367347,0.2125,1.370049667,1.347884307,1.031614027,0.949729485,0.906092126,0.996295982,0.744710475,0.457411739,1.335714286,1.357638889,1.072072072,0.983796296,0.897222222,0.944444444,0.693877551,0.425,1.335714286,1.357638889,1.072072072,0.983796296,0.897222222,0.944444444,0.693877551,0.425,1.335714286,1.357638889,1.072072072,0.983796296,0.897222222,0.944444444,0.693877551,0.425,1.335714286,1.357638889,1.072072072,0.983796296,0.897222222,0.944444444,0.693877551,0.425,1.335714286,1.357638889,1.072072072,0.983796296,0.897222222,0.944444444,0.693877551,0.425,1.414285714,1.33203125,0.998733108,0.935763889,0.922395833,1.03125,0.757653061,0.4640625,67.74718183,33.87359092,51.31509801,67.74718183,5.645598486,33.87359092,-7.11E-15,4.72E-16,3.93E-17,-42.3478579,66.34663729,5.528886441,5.033871694,67.74718183,33.87359092,51.31509801,67.74718183,5.645598486,33.87359092,-7.11E-15,4.72E-16,3.93E-17,-42.3478579,66.34663729,5.528886441,5.033871694,67.74718183,33.87359092,51.31509801,67.74718183,5.645598486,33.87359092,-7.11E-15,4.72E-16,3.93E-17,-42.3478579,66.34663729,5.528886441,5.033871694,67.74718183,33.87359092,51.31509801,67.74718183,5.645598486,33.87359092,-7.11E-15,4.72E-16,3.93E-17,-42.3478579,66.34663729,5.528886441,5.033871694,67.74718183,33.87359092,51.31509801,67.74718183,5.645598486,33.87359092,-7.11E-15,4.72E-16,3.93E-17,-42.3478579,66.34663729,5.528886441,5.033871694,67.74718183,33.87359092,51.31509801,67.74718183,5.645598486,33.87359092,-7.11E-15,4.72E-16,3.93E-17,-42.3478579,66.34663729,5.528886441,5.033871694,71.71861017,35.67860463,54.76997107,71.7070361,5.975586341,35.67860463,-0.023148148,0.005187864,4.32E-04,-6.313719841,62.181931,5.181827584,4.956077351,0,11.9,12.10021925,-0.151149975,0.049095887,6.956296875,9.783134821,13,35,35,35,13,0,0,0,0,0,24.050554,3.72473176,3.464619147,2.919703115,2.750129472,2.750129472,2.453753229,1.504373858,1.456797487,2.05241239,1.880331698,1.432967349,1.372874417,1.372874417,1.153836476,0.666206401,0.666206401,3.746515406,3.492952892,2.95361264,2.792995694,2.792995694,2.501210265,1.592737658,1.556142907,2.003593814,1.820089747,1.357647122,1.285229005,1.285229005,1.055305488,0.522081792,0.522081792,3.842637607,3.617028447,3.104833071,2.981537655,2.981537655,2.712447964,1.965223675,1.9628467,1.861920006,1.64169228,1.135300014,1.018928274,1.018928274,0.754632099,0.037619229,0.037619229,3.76257674,3.513799914,2.978730066,2.824624264,2.824624264,2.536394912,1.657228624,1.62787375,1.972692077,1.781623723,1.309546712,1.228596505,1.228596505,0.991468567,0.425347018,0.425347018,3.889747223,3.677133262,3.17924508,3.072480534,3.072480534,2.815119251,2.141548494,2.141548494,1.818215232,1.585672972,1.066264797,0.933903671,0.933903671,0.65880285,0.125967492,0.135164289,3.7878884,3.574273946,3.025548709,2.913871994,2.913871994,2.61942469,1.801304711,1.801304711,1.925649602,1.695641494,1.226412223,1.103191503,1.103191503,0.864309242,0.215758786,0.215758786,0,0,0,0,0,0,10,2,0,0,0,0,0.204124145,0.11785113,0,0,0,0.204124145,0.11785113,0.333333333,0,0.083333333,0,0.333333333,0,0.083333333,0,0.942809042,1.5,1.885618083,0.942809042,1.5,1.885618083,8.22576835,5.966326495,4.796180193,3.966326495,3.211142626,2.558078205,1.178511302,0.833333333,0.685480696,0.458948192,0.299761262,0.198316325,0.133797609,0.091359936,0.058925565,0.041666667,8.22576835,5.966326495,4.796180193,3.966326495,3.211142626,2.558078205,1.178511302,0.833333333,0.685480696,0.458948192,0.299761262,0.198316325,0.133797609,0.091359936,0.058925565,0.041666667,17.96010584,32.76620539,30.98039216,31.36,20.7840994,260.0535006,0.528238407,0.963711923,0.911188005,0.922352941,0.611297041,7.648632371,4.147,53.15,70.38474912,101.4858646,140.7694982,11.73079152,70.38474912,5.55E-17,4.63E-18,-44.9159373,75.88583335,6.323819446,5.195076022,140,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.4,0,0,0,0,0,0,0,0,0,0,0,0,0,15.39064815,0,0,0,2.276018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.517083333,0,0,0,1.138009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.560185185,0,0,0,1.138009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.66666667,1.472222222,0.2,1.560185185,0.2,1.138009259,8.385600278,0.195324074,0.060185185,0.781296296,0.195324074,0.060185185,0.781296296,6,0.5,0,0,0.44118,0.7,0.44118,0.44118,0.7,0,0,0,0,0.71429,0,0,0,0.16667,0,6.5,0.54167,6.5,0.54167,0,0,-6.5,-0.54167,0,0,14.15801,1.17983,14.15801,0,0,5.96631,0.49719,5.96631,0,0,-0.05231,-0.00436,0.11969,0.00997,0.352941176,37,0,0,0,0,0,0,1,0.936667382,1.16608706,1.736041168,2.469240782,2.631292988,2.418961196,31.84669098,39.64696004,59.0253997,83.95418659,89.4639616,82.24468065,0.184112869,0.229207976,0.341239086,0.485357999,0.517211245,0.475474961,4.150795459,3.921375781,3.351421674,2.618222059,2.456169853,2.668501646,0.182611757,0.227339193,0.338456888,0.481400768,0.512994307,0.471598309,6.773083881,9.52612002,13.23961016,15.75985329,14.14186735,13.92787406,47.12139429,42.98197258,36.9882166,33.97937071,37.29353279,38.07606225,8.591715976,4.296875,2.25,0,0,0,2.78,1.5822,0,0,0,0,15.69030319,9.490205613,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.093,0.104,0.349,0.426,6.018,16,20,24,28,20,20,16,12,8,189,2.63905733,2.833213344,3.044522438,3.218875825,3.36729583,3.044522438,3.044522438,2.833213344,2.564949357,2.197224577,5.247024072,1,0.428571429,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.076923077,1,0.076923077,1,4,7,0.75,1,0.888888889,0.375,0.062222222,0.138888889,0.078367347,0,0,0,0,0.076923077,0.055555556,0.026785714,0.006222222,0.017361111,0.019591837,0,0,0,0,0.202439517,33.87359092,51.31509801,67.74718183,5.645598486,33.87359092,4.72E-16,3.93E-17,-42.3478579,66.34663729,5.528886441,5.033871694,0,191.3953568,4.584962501,4.077537444,4.875197323,5.686975356,6.502790046,7.323170718,8.144098463,8.966866554,9.789366553,10.61277871,90.97878117,3.295836866,0,4.510859507,0,5.958424693,0,7.497207223,0,9.076466063,9.311361486,166.1721507,4.887416197,24.59443372,2.049536144,0,0,0,198,14,6.366,58,1.230313532,2.100246016,2.820666528,3.641800831,4.34610485,5.294970135,6.279108097,7.353484219,8.154997371,0,85.03303992,93.64352154,76.57217059,79.76738272,93.47893853,82.88576687,50.96881751,24.12981549,8.285999249,0,305.0358875,385.7833408,370.3772678,409.8161624,483.6216765,510.9223828,435.2854486,354.2165674,253.4878541,0,8.981349224,15.07525422,19.8823241,25.45954119,30.36869436,36.86289693,43.18479629,50.00365087,54.78905626,0,2.259142568,3.070119098,3.199482076,3.671349904,4.346418073,4.848799594,4.600799434,4.274158,3.62581707,0,174.4160149,315.4735534,450.2929696,597.361292,713.9689999,879.0209073,1082.585862,1312.03426,1508.002966,0,2.171147733,3.311204635,3.959769647,4.87993053,5.878522899,6.985650627,7.561056125,8.104461085,8.154997371,0,0.466430362,0.642621574,0.680217293,0.78614127,0.931227932,1.047683869,1.012006404,0.959665618,0.835071731,0,374.459911,221.0476733,9.998359392,43.46203632,-25.65610288,-2.274744096,330.9978747,246.7037762,12.27310349,0.896004418,0.52892095,0.023923987,0.103995582,-0.0613897,-0.005442988,156.4950152,92.38067408,4.178533827,18.16373885,-10.72224848,-0.950665482,0.051035513,0.089416173,0.791436065,0.253081624,417.9219474,0,1,0,931.1974037,30.51552726,9.765187476,1144.312198,33.82768389,10.45959436,1679.848726,40.98595767,11.88748709,1.866614501,1.866614501,1065.324239,912.324811,219.8006787,1.167702803,4.846774112,4.15069151,4.754638456,5.063261847,8.601420311,0.698790339,6.137051318,8.30214955,13.34291562,20.02215349,28.93075911,13.94873815,20.63813224,14.76387452,12.22510059,15.77098829,11.37780523,6.534103284,7.121276416,5.862422924,2.278252365,1.298729479,1.26E-07,8.57E-36,1.12E-85,2.84E-157,1.39E-250,0,0,0,0,0,0,0,0,0,0.51617534,8.296575825,0.915651795,7.071186137,1.548398799,1.758749855,3.460498792,1.126401106,3.228714238,1.565002821,1.504305017,0.735393061,0.3767924,0.117723627,0.024047552,0.009147058,8.88E-10,6.04E-38,7.92E-88,2.00E-159,9.78E-253,0,0,0,0,0,0,0,0,0,1.66351596,8.296961116,3.090330503,8.261283849,5.5349743,3.607444664,5.202806225,2.86717947,4.473072266,3.258087357,2.692241234,1.661548183,1.183291712,0.626642666,0.187768579,0.095319396,9.25E-09,6.29E-37,8.25E-87,2.09E-158,1.02E-251,0,0,0,0,0,0,0,0,0,5.792945319,8.301542147,12.45406708,18.71511472,26.68743148,12.97622714,18.96248019,13.56004738,11.46491961,14.47443172,10.48063022,6.088020645,6.506668308,5.275942692,2.03539144,1.157144584,1.12E-07,7.64E-36,1.00E-85,2.53E-157,1.24E-250,0,0,0,0,0,0,0,0,0,2.451129327,8.297449016,4.690661816,9.509814195,8.747522464,5.066408859,6.92261786,4.371833988,5.503060975,4.778619134,3.753410924,2.373777344,1.906230508,1.17306488,0.388168266,0.207046465,2.01E-08,1.37E-36,1.79E-86,4.53E-158,2.21E-251,0,0,0,0,0,0,0,0,0,7.411120951,8.30470072,16.77932456,25.4453537,37.88057654,17.80639706,27.55087905,19.64002052,15.2774991,21.05623969,15.03200934,8.28917209,9.625926551,8.300486037,3.29651785,1.894074888,1.84E-07,1.25E-35,1.64E-85,4.15E-157,2.02E-250,0,0,0,0,0,0,0,0,0,4.204715872,8.092765344,8.442923647,13.24137165,17.01753729,8.871221623,12.18938624,8.497177694,8.365388444,9.219696753,6.857803531,4.211804601,4.001574133,2.934119565,1.075136564,0.599200215,5.82E-08,3.95E-36,5.19E-86,1.31E-157,6.40E-251,0,0,0,0,0,0,0,0,0,6.101321845,1.766585199,0.682563867,0.713565593,0.206606773,0.565742571,0.575777546,0.43827611,8.550470911,16.14885392,32.05634279,0.570348389,1.579796227,5.289250211,1.121951282,0.200982711,0.799924813,0.169679375,0.425363694,0.232442281,0.037866637,6.612184205,7.222821714,15.02769382,0.699887219,0.695672612,5.602970418,1.371109889,0.38709457,0.761151652,0.186262371,0.477220823,0.34707756,0.140686052,7.361174877,10.38191676,20.71686367,0.641727478,0.964984435,6.080305306,1.749914844,0.670107326,0.715302478,0.205864403,0.561856976,0.564983206,0.422395321,8.500327476,15.8871044,31.51738488,0.572953717,1.549235502,5.746476056,1.485030701,0.472199119,0.745936585,0.192768354,0.501938019,0.407086568,0.209477043,7.703705875,11.94840448,23.68171284,0.618904878,1.11850163,6.167433348,1.819020642,0.721746061,0.708232851,0.20888595,0.578053024,0.610390838,0.490145112,8.708200052,16.98288028,33.78812463,0.562349276,1.678588973,6.090306587,1.755604406,0.673603554,0.714865448,0.206068597,0.563705521,0.568654953,0.426815891,8.519514547,15.97720261,31.69900024,0.572298173,1.559176364 +UMLYSI0130,L,benzene,C1=CC=CC=C1,aromatic,C6H6,71-43-2,241,PubChem,,100.3,0,1.4034,1.96953156,30.9558,14.560758,6,6,12,6,6,0,6,0,0,0,0,0,0,0,0,0,871.68111,938.227254,1010.869782,584.173803,78.738912,3.048192,0,0,0,2727.603877,3229.521109,3917.940807,2833.892568,874.9221648,93.25123329,0,0,0,85.55388,87.948888,130.65468,148.343916,83.016576,20.155392,0,0,0,19.40107743,23.41466586,30.09593172,24.39690915,9.348943289,1.333838715,0,0,0,1870.272049,1679.501423,2598.236709,3327.359553,2028.241198,554.7529561,0,0,0,30,36,48,42,18,3,0,0,0,72.6400925,78.1856045,56.15943233,27.81780014,6.561576,1.016064,0,0,0,227.3003231,269.1267591,217.6633782,134.9472652,72.9101804,31.08374443,0,0,0,7.12949,7.329074,7.258593333,7.063996,6.918048,6.718464,0,0,0,1.616756452,1.951222155,1.671996207,1.161757579,0.779078607,0.444612905,0,0,0,155.8560041,139.9584519,144.3464838,158.445693,169.0200999,184.917652,0,0,0,2.5,3,2.666666667,2,1.5,1,0,0,0,0.045768832,5.20E-18,-0.022884416,-0.011442208,-1.13E-17,0.011442208,0,0,0,363.198027,2.13E-13,-181.5990135,-90.79950675,-2.06E-13,90.79950675,0,0,0,675.3822403,1.71E-13,-337.6911202,-168.8455601,-1.99E-13,168.8455601,0,0,0,0.071148,8.22E-16,-0.035574,-0.017787,-8.17E-16,0.017787,0,0,0,3.019272855,-6.66E-16,-1.509636427,-0.754818214,4.44E-16,0.754818214,0,0,0,16.40073807,2.40E-14,-8.200369033,-4.100184516,-2.35E-14,4.100184516,0,0,0,3,0,-1.5,-0.75,0,0.75,0,0,0,0.003814069,4.34E-19,-0.001271356,-5.45E-04,-9.40E-19,0.003814069,0,0,0,30.26650225,1.78E-14,-10.08883408,-4.323786036,-1.72E-14,30.26650225,0,0,0,56.28185336,1.42E-14,-18.76061779,-8.040264766,-1.66E-14,56.28185336,0,0,0,0.005929,6.85E-17,-0.001976333,-8.47E-04,-6.81E-17,0.005929,0,0,0,0.251606071,-5.55E-17,-0.08386869,-0.035943724,3.70E-17,0.251606071,0,0,0,1.366728172,2.00E-15,-0.455576057,-0.195246882,-1.96E-15,1.366728172,0,0,0,0.25,0,-0.083333333,-0.035714286,0,0.25,0,0,0,1.14E-16,-0.333333333,-0.142857143,-2.46E-16,1,0,0,0,5.87E-16,-0.333333333,-0.142857143,-5.67E-16,1,0,0,0,2.52E-16,-0.333333333,-0.142857143,-2.95E-16,1,0,0,0,1.16E-14,-0.333333333,-0.142857143,-1.15E-14,1,0,0,0,-2.21E-16,-0.333333333,-0.142857143,1.47E-16,1,0,0,0,1.46E-15,-0.333333333,-0.142857143,-1.44E-15,1,0,0,0,0,-0.333333333,-0.142857143,0,1,0,0,0,0.916666667,1.222222222,1.047619048,0.916666667,0,0,0,0,0.916666667,1.222222222,1.047619048,0.916666667,0,0,0,0,0.916666667,1.222222222,1.047619048,0.916666667,0,0,0,0,0.916666667,1.222222222,1.047619048,0.916666667,0,0,0,0,0.916666667,1.222222222,1.047619048,0.916666667,0,0,0,0,0.916666667,1.222222222,1.047619048,0.916666667,0,0,0,0,0.916666667,1.222222222,1.047619048,0.916666667,0,0,0,0,12,6,8.666666667,12,2,6.009012619,-3.55E-15,6.66E-16,1.11E-16,-20.96702466,16.82065258,2.803442097,1.693564471,12,6,8.666666667,12,2,6.009012619,-3.55E-15,6.66E-16,1.11E-16,-20.96702466,16.82065258,2.803442097,1.693564471,12,6,8.666666667,12,2,6.009012619,-3.55E-15,6.66E-16,1.11E-16,-20.96702466,16.82065258,2.803442097,1.693564471,12,6,8.666666667,12,2,6.009012619,-3.55E-15,6.66E-16,1.11E-16,-20.96702466,16.82065258,2.803442097,1.693564471,12,6,8.666666667,12,2,6.009012619,-3.55E-15,6.66E-16,1.11E-16,-20.96702466,16.82065258,2.803442097,1.693564471,12,6,8.666666667,12,2,6.009012619,-3.55E-15,6.66E-16,1.11E-16,-20.96702466,16.82065258,2.803442097,1.693564471,12,6,8.666666667,12,2,6.009012619,-3.55E-15,6.66E-16,1.11E-16,-20.96702466,16.82065258,2.803442097,1.693564471,0,11.85,12.1500544,-0.211758152,0.08829625,6.093375,6.393429402,6,12,9,6,0,3,0,0,0,6,6.559242,3.724194531,2.619181914,2.619181914,0.941428501,0.941428501,0.577311388,0.190781718,0.310513972,1.94287806,1.082250302,1.082250302,0.310513972,0.310513972,0.190781718,0.577311388,0.941428501,3.737922806,2.645815032,2.645815032,1.053336623,1.053336623,0.729782652,0.017519162,0.150156259,1.908358493,1.007167592,1.007167592,0.150156259,0.150156259,0.017519162,0.729782652,1.053336623,3.799661322,2.771820215,2.771820215,1.517793787,1.517793787,1.306733712,0.593746847,0.396843083,1.812305028,0.798620231,0.798620231,0.396843083,0.396843083,0.593746847,1.306733712,1.517793787,3.748101967,2.665925019,2.665925019,1.134811365,1.134811365,0.836688466,0.100665021,0.041902902,1.886900963,0.960278991,0.960278991,0.041902902,0.041902902,0.100665021,0.836688466,1.134811365,3.830721456,2.838078588,2.838078588,1.721464227,1.721464227,1.541933825,0.826413109,0.594311107,1.783778745,0.738564276,0.738564276,0.594311107,0.594311107,0.826413109,1.541933825,1.721464227,3.756562044,2.68285955,2.68285955,1.201259917,1.201259917,0.921724808,0.192927699,0.041885322,1.87121455,0.926004789,0.926004789,0.041885322,0.041885322,0.192927699,0.921724808,1.201259917,0,0,0,6,0,0,0,0,0,0,0,0,0.125,0,0,0,0,0.037037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,3.464101615,2,1.154700538,0.666666667,0.384900179,0.222222222,0,0,0.577350269,0.333333333,0.19245009,0.111111111,0.06415003,0.037037037,0,0,7.625483411,11.66351056,11.17647059,11.28,8.395663473,89.3128491,0.635456951,0.971959213,0.931372549,0.94,0.699638623,7.442737425,1.6866,26.442,21,27,42,7,21,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,36,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.7,0,0,0,0,2.7,0,0,0,0,0,0,0,0,0,0,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,2,0.45,2,0.45,2,3.588,0,0,0,0,0,0,3,0.5,0,0,0.5,0.7,0.43333,0.43333,0.7,0.06667,0.06667,0,0,0.71429,0,0,0,0,0,9,1.5,3,0.5,6,1,3,0.5,0,0,1.6667,0.27778,5,3.3333,0.55555,1.00002,0.16667,3,1.99998,0.33333,-0.086,-0.01433,0,0,0.5,6,0,0,0,0,0,0,0,1,1,1,1,1,1,12,12,12,12,12,12,0.278942946,0.278942946,0.278942946,0.278942946,0.278942946,0.278942946,2.584962501,2.584962501,2.584962501,2.584962501,2.584962501,2.584962501,0.255958025,0.255958025,0.255958025,0.255958025,0.255958025,0.255958025,6.503912516,6.503912516,6.503912516,6.503912516,6.503912516,6.503912516,21,21,21,21,21,21,4.166666667,2.222222222,1.333333333,0,6,0,2.12,0.7164,0,0,0,0,9.125465128,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.137,0.136,0.577,0.656,2.944,6,6,6,6,0,0,0,0,0,36,2.302585093,2.674148649,3.056356895,3.446011397,3.840795496,0,0,0,0,0,4.833798668,3.463541667,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,13,18,3,9.000420062,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,0,81.16653165,3.584962501,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,65.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921172722,78.04695019,6.503912516,11.8125,1.96875,0,0,0,27,3,2.082,24,1.224525312,2.194753941,2.990248634,4.019699157,4.89834867,0,0,0,0,0,103.9026211,129.4371991,79.3526106,25.14298673,4.977035743,0,0,0,0,0,348.623619,492.1593961,403.5063626,283.7804261,152.2590182,0,0,0,0,0,9.000755064,15.95060486,21.16708507,27.76411112,32.9093792,0,0,0,0,0,2.492795335,3.747977654,3.50709143,3.057321508,2.177869031,0,0,0,0,0,169.7565679,315.573629,469.9801923,682.9434268,905.7911349,0,0,0,0,0,3.797101247,5.946218376,6.051216874,5.918416094,4.89834867,0,0,0,0,0,0.511259238,0.777760513,0.745611807,0.672880644,0.501590904,0,0,0,0,0,174.5429608,64.67670431,10.77945072,100.7614793,-37.33705656,-6.22284276,73.78148157,102.0137609,17.00229348,0.633999803,0.234927938,0.039154656,0.366000197,-0.135620975,-0.022603496,48.05245211,17.80578387,2.967630645,27.74008264,-10.27905745,-1.713176242,0.166666667,0.166666667,5.596878212,2.914241702,275.3044401,0,1,0,476.3827464,21.82619404,7.810017517,535.7788366,23.14689691,8.121978801,694.3401308,26.35033455,8.855044655,1.419404744,1.078410158,167.1667771,86.32704914,80.84022103,1.936435668,2.067866403,1.067872502,2.911360528,3.785388983,4.922407598,0.30037035,2.163472944,0.873677938,3.050218658,4.828602352,0.001325092,1.072694178,0.166197337,0.0170459,1.096942663,3.33E-15,3.71E-51,8.18E-109,3.48E-188,2.85E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.1816749,0.873677268,0.256345256,0.644788204,5.69E-04,0.090023789,0.010588676,1.20E-04,0.007725857,2.35E-17,2.62E-53,5.76E-111,2.45E-190,2.01E-291,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.586202132,0.873677404,0.826634369,0.924368354,7.23E-04,0.290607765,0.036394954,0.001251073,0.080509385,2.45E-16,2.73E-52,6.01E-110,2.55E-189,2.09E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.042148688,0.873677897,2.879179726,4.369259529,0.001278787,1.012535801,0.15456378,0.01518759,0.977356164,2.97E-15,3.31E-51,7.29E-109,3.10E-188,2.54E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.863897394,0.873677498,1.21811997,1.286850187,8.29E-04,0.428302377,0.055878842,0.002717497,0.174877143,5.32E-16,5.92E-52,1.30E-109,5.55E-189,4.55E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.612682056,0.873678089,3.683498842,6.760074852,0.001496539,1.29543357,0.211663854,0.024859844,1.599787782,4.86E-15,5.42E-51,1.19E-108,5.07E-188,4.16E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.081796297,0.873677572,1.525306642,1.668499683,9.12E-04,0.536347089,0.072175428,0.004261475,0.274235666,8.34E-16,9.28E-52,2.05E-109,8.70E-189,7.14E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.001477987,1.906797044,1.10E-05,0.512111441,0.487885747,0.52850557,0.515916133,0.389442273,3.908286022,3.816455266,7.724783236,0.499995781,1.433863977,1.105975762,1.035678097,3.16E-06,0.516411243,0.483587283,0.16137738,0.152202488,0.032149584,2.141657016,1.145441635,3.287102269,0.499997788,0.345729452,1.393628363,1.315499097,5.67E-06,0.514418559,0.485579347,0.256238273,0.245557271,0.103792277,2.709133134,1.833332225,4.542475761,0.499996858,0.605587821,1.970909352,1.877060849,1.07E-05,0.512193119,0.487804094,0.512485191,0.499950439,0.370724542,3.847980925,3.699558047,7.547578645,0.49999582,1.383160172,1.54659059,1.464296445,7.01E-06,0.5136649,0.486332771,0.315573227,0.304249142,0.158512841,3.010894047,2.264688216,5.275598143,0.499996507,0.77833521,2.101139131,2.0037442,1.19E-05,0.511861821,0.488135289,0.582448169,0.569710804,0.453667726,4.104895194,4.210194045,8.315139185,0.499995665,1.605826699,1.967297976,1.873547817,1.07E-05,0.512202938,0.487794278,0.510608829,0.498080827,0.368543676,3.840856485,3.685867896,7.526763792,0.499995824,1.377233332 +UMLYSI0131,L,"2,2,4,6,6-pentamethylheptane",CC(CC(C)(C)C)CC(C)(C)C,linear alkanes,C12H26,13475-82-6,26058,PubChem,,99.3,0,3.8882,15.11809924,56.2981,38.456618,0,0,38,12,26,0,12,0,0,0,0,0,0,0,0,0,1757.587116,1901.689619,2863.286345,2442.534874,2394.777349,1682.941686,1607.750433,653.782752,82.301184,5890.380176,7641.837945,11586.28518,13861.15777,12701.64159,10673.22549,8674.448209,6195.777284,2517.783299,265.166256,268.004108,510.477668,706.080232,1052.18338,635.93916,800.64378,384.352128,544.195584,45.02673553,59.63005206,93.27081473,122.3119238,121.2451745,98.23035675,85.15905902,60.13139274,36.01364529,6329.391226,5375.924158,11308.53158,15118.41604,26455.76437,14195.37202,20539.94375,8268.617576,14978.32981,63.40277778,74.75,118.4166667,180.25,198.0625,156,148.5,108,81,46.25229253,51.39701673,39.7678659,24.67206943,15.65213954,18.69935207,13.74145669,12.107088,1.016064,155.0100046,206.5361607,160.9206274,140.0116947,83.01726529,118.5913943,74.14058298,114.7366164,31.08374443,6.978059368,7.24335427,7.089967611,7.132123556,6.877015556,7.065990667,6.843109231,7.117632,6.718464,1.184914093,1.611623029,1.295427982,1.235473977,0.792452121,1.091448408,0.727855205,1.11354431,0.444612905,166.562927,145.2952475,157.0629386,152.7112731,172.9134926,157.7263558,175.5550748,153.1225477,184.917652,1.668494152,2.02027027,1.644675926,1.820707071,1.294526144,1.733333333,1.269230769,2,1,0.049744272,-0.01249864,0.029856353,-0.081163146,0.065526164,-0.064291906,0.069180087,-0.076176385,0.044695337,994.0156528,-56.67633108,404.1123015,-1493.706383,1127.154726,-1169.07509,1125.813275,-1412.548559,977.9182334,1848.414552,-105.3920578,751.4640809,-2777.610802,2095.992345,-2173.945051,2093.497858,-2626.694364,1818.480714,0.194720842,-0.011102504,0.079162825,-0.292606825,0.220801873,-0.229013784,0.220539091,-0.276708565,0.191567468,8.263273076,-0.471151535,3.359394081,-12.41721264,9.370061001,-9.718545864,9.358909485,-11.74254595,8.129454888,44.88623049,-2.559302616,18.24828197,-67.45049616,50.89832007,-52.79129538,50.83774486,-63.78569597,44.15932798,5.682748538,-3.79745691,5.938827331,-10.14825716,8.961565097,-8.630193906,10.09193213,-9.634695291,4.376904432,0.00130906,-3.38E-04,4.15E-04,-8.20E-04,4.28E-04,-7.14E-04,5.91E-04,-0.001410674,5.52E-04,26.15830665,-1.531792732,5.612670854,-15.08794326,7.367024356,-12.98972322,9.622335682,-26.15830665,12.07306461,48.64248822,-2.848433995,10.43700112,-28.05667477,13.69929637,-24.15494501,17.89314409,-48.64248822,22.45037918,0.005124233,-3.00E-04,0.001099484,-0.002955624,0.001443149,-0.002544598,0.001884949,-0.005124233,0.00236503,0.217454555,-0.012733825,0.046658251,-0.12542639,0.061242229,-0.107983843,0.079990679,-0.217454555,0.100363641,1.181216592,-0.069170341,0.253448361,-0.681318143,0.332668759,-0.586569949,0.43451064,-1.181216592,0.545176889,0.149546014,-0.102633971,0.082483713,-0.102507648,0.058572321,-0.095891043,0.08625583,-0.178420283,0.054035857,-0.258048616,0.316770528,-0.626273723,0.327162732,-0.545700443,0.45168509,-1.077623645,0.421519538,-0.058558559,0.214565527,-0.576793577,0.281632311,-0.496581197,0.367850099,-1,0.461538462,-0.058558559,0.214565527,-0.576793577,0.281632311,-0.496581197,0.367850099,-1,0.461538462,-0.058558559,0.214565527,-0.576793577,0.281632311,-0.496581197,0.367850099,-1,0.461538462,-0.058558559,0.214565527,-0.576793577,0.281632311,-0.496581197,0.367850099,-1,0.461538462,-0.058558559,0.214565527,-0.576793577,0.281632311,-0.496581197,0.367850099,-1,0.461538462,-0.686303618,0.551560758,-0.685458911,0.391667549,-0.641214304,0.576784548,-1.193079496,0.361332647,1.786186335,0.714165546,1.96310956,0.410304575,1.812606013,0.214219688,2.595712874,0,1.583333333,1.001424501,1.866291116,0.500712251,1.652350427,0.346646943,2.253205128,0,1.583333333,1.001424501,1.866291116,0.500712251,1.652350427,0.346646943,2.253205128,0,1.583333333,1.001424501,1.866291116,0.500712251,1.652350427,0.346646943,2.253205128,0,1.583333333,1.001424501,1.866291116,0.500712251,1.652350427,0.346646943,2.253205128,0,1.583333333,1.001424501,1.866291116,0.500712251,1.652350427,0.346646943,2.253205128,0,2.297401595,0.256217306,2.073030927,0.215435312,2.021102393,0.031302567,3.255466941,0,72.38259585,36.19129792,54.70200778,72.38259585,6.031882987,36.19129792,1.42E-14,3.89E-16,3.24E-17,-42.58084512,3000026.752,250002.2293,17.89695812,72.38259585,36.19129792,54.70200778,72.38259585,6.031882987,36.19129792,1.42E-14,3.89E-16,3.24E-17,-42.58084512,3000026.752,250002.2293,17.89695812,72.38259585,36.19129792,54.70200778,72.38259585,6.031882987,36.19129792,1.42E-14,3.89E-16,3.24E-17,-42.58084512,3000026.752,250002.2293,17.89695812,72.38259585,36.19129792,54.70200778,72.38259585,6.031882987,36.19129792,1.42E-14,3.89E-16,3.24E-17,-42.58084512,3000026.752,250002.2293,17.89695812,72.38259585,36.19129792,54.70200778,72.38259585,6.031882987,36.19129792,1.42E-14,3.89E-16,3.24E-17,-42.58084512,3000026.752,250002.2293,17.89695812,72.38259585,36.19129792,54.70200778,72.38259585,6.031882987,36.19129792,1.42E-14,3.89E-16,3.24E-17,-42.58084512,3000026.752,250002.2293,17.89695812,103.0923767,51.31065593,79.51020943,102.6998227,8.558318555,51.31065593,-0.471064815,1.44E-15,1.20E-16,-41.00622145,3000026.395,250002.1996,17.89695797,0,11.89,12.11019763,-0.15933589,0.062010349,6.576014969,9.528265706,11,37,37,37,11,0,0,0,0,0,28.423382,3.654886328,3.454645884,3.056034808,2.333552793,2.333552793,2.333552793,2.333552793,2.241324738,1.990990995,1.852281463,1.60803073,1.249629723,1.249629723,1.249629723,1.249629723,1.143190025,3.67659081,3.480041536,3.09305131,2.405454588,2.405454588,2.405454588,2.405454588,2.311248158,1.939832334,1.79183148,1.5284733,1.134540686,1.134540686,1.134540686,1.134540686,1.029079832,3.773594926,3.594509757,3.257509205,2.704236987,2.704236987,2.704236987,2.704236987,2.603891649,1.793278723,1.61786126,1.290462565,0.76031856,0.76031856,0.76031856,0.76031856,0.659115325,3.692662398,3.498908327,3.120448039,2.457539916,2.457539916,2.457539916,2.457539916,2.362037484,1.907605772,1.753638123,1.477379207,1.058262671,1.058262671,1.058262671,1.058262671,0.95351374,3.821805964,3.65173786,3.337860693,2.838982085,2.838982085,2.838982085,2.838982085,2.73669351,1.748767275,1.565098852,1.215694065,0.631337262,0.631337262,0.631337262,0.631337262,0.532227335,3.642297198,3.500430735,3.159788353,2.619831427,2.619831427,2.619831427,2.619831427,2.453947202,1.948959625,1.738021655,1.414897218,0.891831427,0.891831427,0.891831427,0.891831427,0.836363004,0,0,0,0,0,7,2,1,2,0,0,0,0,0,0,0,0,0,0,3.409995478,0.707106781,0,0,3.409995478,0.707106781,0,0,1.513420006,3.437212753,2.428974233,1.513420006,3.437212753,2.428974233,9.991563832,5.100953631,6.63474035,1.921668296,2.162939059,0.433012702,0.649519053,0,0.832630319,0.463723057,0.390278844,0.19216683,0.166379928,0.072168784,0.072168784,0,9.991563832,5.100953631,6.63474035,1.921668296,2.162939059,0.433012702,0.649519053,0,0.832630319,0.463723057,0.390278844,0.19216683,0.166379928,0.072168784,0.072168784,0,19.04376145,36.5418791,34.43137255,34.88,22.38120838,292.6246216,0.501151617,0.961628397,0.906088751,0.917894737,0.588979168,7.700647936,4.4949,57.308,36.19129792,54.70200778,72.38259585,6.031882987,36.19129792,3.89E-16,3.24E-17,-42.58084512,3000026.752,250002.2293,17.89695812,105,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,7,0,2,0,0,0,1,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,16.32486111,0,2.675138889,0,0,0,0.851851852,0,0,0,0,0,0.981481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.325555556,0,1.337569444,0,0,0,0.851851852,0,0,0,0,0,0.490740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.371527778,0,1.337569444,0,0,0,0.851851852,0,0,0,0,0,0.490740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.83333333,1.736111111,0.2,2.371527778,0,0.490740741,8.944256944,0.759259259,0.371527778,4.649722222,0.759259259,0.371527778,4.649722222,6,0.5,0,0,0.42632,0.7,0.42632,0.42632,0.7,0,0,0,0,0.71429,0,0,0.58333,0.08333,0.16667,5.5,0.45833,5.5,0.45833,0,0,-5.5,-0.45833,0,0,17.91494,1.49291,17.91494,0,0,5.10095,0.42508,5.10095,0,0,0.81305,0.06775,0.81305,0.06775,0,11,0,0,0,0,0,0,1,0.899743759,1.409429694,2.096652753,2.423629815,2.423629815,2.28552646,34.19026283,53.55832838,79.67280463,92.09793298,92.09793298,86.85000546,0.171447444,0.268568819,0.399520144,0.461826084,0.461826084,0.435510295,4.348183755,3.838497819,3.15127476,2.824297698,2.824297698,2.962401054,0.17271366,0.27055232,0.402470779,0.465236877,0.465236877,0.438726734,6.679290299,12.79552153,14.68618515,15.01572082,15.01572082,13.35848055,47.55009265,34.81626782,33.59512924,33.72448317,33.72448317,32.89586303,12,3.806228374,9,12,0,7,2.78,1.7994,5.378983241,5.200980012,2.729838563,6.003565914,0.5,2,2.309401077,0,1,0.25,0,0,0,0,0,0,0,0,0,0.003,0.205,0.178,-0.07,-0.017,4.71,17,10,13,6,9,0,0,0,0,78,2.48490665,2.890371758,2.397895273,2.63905733,1.945910149,2.302585093,0,0,0,0,4.369447852,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.363636364,11,1,1,3,6,1,6.5,1.111111111,1.375,0.24,0.5,0,0,0,0,0,0.590909091,0.065359477,0.1375,0.018461538,0.083333333,0,0,0,0,0,0.89556344,36.19129792,54.70200778,72.38259585,6.031882987,36.19129792,3.89E-16,3.24E-17,-42.58084512,3000026.752,250002.2293,17.89695812,0,216.1082742,4.584962501,4.043051268,4.709530201,5.631211782,6.311734809,7.23489842,7.919719761,8.842604481,9.528866828,10.45146444,87.67308199,3.135494216,0,4.510859507,0,5.978885765,0,7.492760301,0,9.031572493,9.275659838,170.2034508,4.47903818,21.86287565,1.821906304,0,0,0,211,10,7.059,56,1.234891892,2.129540917,2.963881535,3.451539053,4.191752528,4.75893467,6.318517514,6.534823963,0,0,74.78950626,96.91164861,77.55700556,61.64775741,91.6629793,81.9008789,76.49884757,6.639799375,0,0,281.4980232,376.8131446,426.23555,308.4846803,534.4585654,406.6361765,724.96532,203.126798,0,0,8.980981064,15.17254001,21.1586351,23.78672544,29.70121529,32.71471781,44.97288245,43.90397954,0,0,2.133680728,2.964550285,3.726239711,2.86965944,4.80130438,3.812513843,7.035949225,2.905467065,0,0,177.1688144,329.1854705,451.2727796,593.1802777,655.2634487,824.3578654,967.5074995,1208.404304,0,0,2.530204955,3.687907811,5.429746188,4.558924939,7.357446587,6.38872731,12.63703503,6.534823963,0,0,0.442396824,0.620123398,0.791588546,0.62043006,1.025300903,0.825942227,1.516444203,0.669165974,0,0,379.3710058,239.5978278,9.126585276,95.47810583,-60.30072517,-5.72822852,283.8928999,299.8985529,14.8548138,0.798929589,0.504576763,0.019219969,0.201070411,-0.126989234,-0.01206326,180.1439851,113.7728157,4.33375091,45.33769373,-28.63374577,-2.720044224,0.047257764,0.098772002,0.037635787,0.54048685,474.8491116,0,1,0,682.8972606,26.13230301,8.806130631,934.7601987,30.57384828,9.777625614,1418.764177,37.66648613,11.23664701,1.833544673,1.833544673,1151.484485,1118.992409,261.1349964,1.029036905,4.409537215,4.285110859,5.06750403,4.466158665,8.836778877,0.978608361,7.251431254,10.52037993,4.624235216,48.63098059,8.288658165,29.12404599,16.2014316,27.79731418,24.93510912,12.85578862,10.87044169,4.340518291,7.656700855,12.63016453,3.599756839,0.320539291,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.60856108,10.4404914,0.248702659,20.230783,3.040577243,3.340138372,0.863869637,1.408814468,5.530294533,1.939107888,0.264181165,2.200080599,0.568097748,1.242659135,0.120675437,0.002257651,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.964510204,10.45671597,0.894682211,24.31441726,3.432179642,7.037602823,2.718062858,4.915428519,7.883580738,3.457293227,1.278541006,2.4449703,1.882963061,2.49481639,0.509102581,0.023525941,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,6.844758688,10.51546007,4.268931253,46.28617845,7.726939302,26.99172302,14.81088296,25.51680355,23.17842691,11.93625255,9.814088424,4.141552174,7.176019765,11.5536941,3.272953422,0.285594783,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,2.895327452,10.4678781,1.41151382,27.62646339,3.902802429,10.0406496,4.369936605,7.880772936,9.976382551,4.710335707,2.316505397,2.670093897,2.824791106,3.672763844,0.871273205,0.051101324,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,8.757157642,10.53862905,6.039044004,58.00097939,10.64144629,37.64793397,21.86275847,36.9961052,32.08506669,16.54566355,15.24381208,5.154329742,9.489495766,17.04655696,4.938992939,0.467476214,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,4.564942756,8.055779142,1.809978613,33.78553707,4.428099842,16.77124986,6.509652827,12.15166245,14.36059525,7.113796365,4.38988792,3.813133222,4.380531347,6.341625983,1.605675761,0.10634753,0.046226055,5.23E-20,1.14E-59,4.82E-121,3.91E-204,0.00E+00,0,0,0,0,0,0,0,0,6.704900669,1.446185404,1.20783456,0.716418157,0.154524807,0.56714089,0.61513808,0.486765303,9.358920634,19.54169295,40.61241701,0.574627235,1.669044274,5.902618567,0.864428762,0.672407593,0.793420839,0.116195174,0.439537267,0.21977117,0.151258522,7.439454922,9.652607267,20.52295016,0.690131259,0.810566958,6.229391694,1.101203094,0.890667196,0.75771721,0.133945749,0.48955055,0.356727006,0.26518571,8.221261984,13.38894571,27.72002915,0.636575815,1.111463266,6.685838956,1.432348064,1.195128327,0.717879585,0.153795723,0.563920765,0.603431275,0.476618006,9.313315346,19.27872375,40.03712395,0.576819377,1.643970045,6.371533225,1.204279434,0.985523962,0.744221785,0.140664885,0.512146452,0.426630645,0.324517411,8.561336621,15.13925133,31.2626182,0.616332678,1.263294507,6.764326651,1.489327854,1.247443218,0.711952118,0.15675324,0.577238656,0.652357099,0.519075738,9.501097724,20.37026544,42.4384805,0.567928178,1.748671493,6.700944158,1.436522435,1.197806202,0.717809142,0.153881142,0.566471756,0.60692145,0.478606515,9.335272795,19.37316457,40.23858769,0.576713713,1.651999721 +UMLYSI0132,L,"1,3-cyclohexadiene",C1CC=CC=C1,aliphatic,C6H8,592-57-4,11605,PubChem,,98.8,0,1.4468,2.09323024,29.5408,15.894344,0,0,14,6,8,0,6,0,0,0,0,0,0,0,0,0,873.713238,962.44143,1061.330262,637.682475,107.017344,5.08032,0,0,0,2789.771366,3458.994341,4439.054761,3448.257756,1228.730375,155.4187222,0,0,0,98.990808,102.184152,172.562136,210.406764,124.125696,33.59232,0,0,0,20.29030324,25.64175448,35.43933477,31.07415091,13.35448353,2.223064524,0,0,0,2240.107353,1985.746518,3580.562204,4864.438004,3074.156902,924.5882601,0,0,0,28.5,34.25,51,51,25,5,0,0,0,62.40808843,68.74581643,44.22209425,21.2560825,5.945408,1.016064,0,0,0,199.2693833,247.0710244,184.9606151,114.9419252,68.26279863,31.08374443,0,0,0,7.070772,7.298868,7.190089,7.0135588,6.895872,6.718464,0,0,0,1.449307374,1.831553891,1.476638949,1.03580503,0.741915752,0.444612905,0,0,0,160.0076681,141.839037,149.1900918,162.1479335,170.7864946,184.917652,0,0,0,2.035714286,2.446428571,2.125,1.7,1.388888889,1,0,0,0,0.042599657,1.89E-05,-0.021477086,-0.010919659,1.77E-04,0.010900741,0,0,0,415.0834594,2.63E-13,-192.7173204,-111.1830695,-14.82440927,111.1830695,0,0,0,771.8654175,2.13E-13,-358.3660867,-206.7496654,-27.56662205,206.7496654,0,0,0,0.081312,1.25E-15,-0.037752,-0.02178,-0.002904,0.02178,0,0,0,3.450597548,-5.55E-17,-1.602063147,-0.9242672,-0.123235627,0.9242672,0,0,0,18.74370065,2.89E-14,-8.702432443,-5.020634102,-0.66941788,5.020634102,0,0,0,2.714285714,0.321428571,-1.153061224,-0.959183673,-0.204081633,0.637755102,0,0,0,0.003042833,1.35E-06,-8.95E-04,-3.64E-04,9.85E-06,0.002180148,0,0,0,29.64881853,1.88E-14,-8.029888352,-3.706102316,-0.823578293,22.2366139,0,0,0,55.13324411,1.52E-14,-14.93192028,-6.891655513,-1.531479003,41.34993308,0,0,0,0.005808,8.92E-17,-0.001573,-7.26E-04,-1.61E-04,0.004356,0,0,0,0.246471253,-3.97E-18,-0.066752631,-0.030808907,-0.006846424,0.18485344,0,0,0,1.33883576,2.06E-15,-0.362601352,-0.16735447,-0.037189882,1.00412682,0,0,0,0.193877551,0.022959184,-0.048044218,-0.031972789,-0.011337868,0.12755102,0,0,0,4.44E-04,-0.294093919,-0.119621634,0.003236337,0.71648637,0,0,0,6.33E-16,-0.270833333,-0.125,-0.027777778,0.75,0,0,0,2.76E-16,-0.270833333,-0.125,-0.027777778,0.75,0,0,0,1.54E-14,-0.270833333,-0.125,-0.027777778,0.75,0,0,0,-1.61E-17,-0.270833333,-0.125,-0.027777778,0.75,0,0,0,1.54E-15,-0.270833333,-0.125,-0.027777778,0.75,0,0,0,0.118421053,-0.247807018,-0.164912281,-0.058479532,0.657894737,0,0,0,1.022176466,1.254065288,1.020847089,0.855690726,0.112823359,0,0,0,1.083333333,1.263888889,1.011111111,0.842592593,0,0,0,0,1.083333333,1.263888889,1.011111111,0.842592593,0,0,0,0,1.083333333,1.263888889,1.011111111,0.842592593,0,0,0,0,1.083333333,1.263888889,1.011111111,0.842592593,0,0,0,0,1.083333333,1.263888889,1.011111111,0.842592593,0,0,0,0,0.940789474,1.247258772,1.077631579,0.864766082,0,0,0,0,16.218912,7.691322909,11.69132291,16.218912,2.703152,7.693125513,-8.88E-16,2.22E-16,3.70E-17,-21.62619203,16.7261622,2.7876937,1.690184455,16.218912,7.691322909,11.69132291,16.218912,2.703152,7.693125513,-8.88E-16,2.22E-16,3.70E-17,-21.62619203,16.7261622,2.7876937,1.690184455,16.218912,7.691322909,11.69132291,16.218912,2.703152,7.693125513,-8.88E-16,2.22E-16,3.70E-17,-21.62619203,16.7261622,2.7876937,1.690184455,16.218912,7.691322909,11.69132291,16.218912,2.703152,7.693125513,-8.88E-16,2.22E-16,3.70E-17,-21.62619203,16.7261622,2.7876937,1.690184455,16.218912,7.691322909,11.69132291,16.218912,2.703152,7.693125513,-8.88E-16,2.22E-16,3.70E-17,-21.62619203,16.7261622,2.7876937,1.690184455,16.218912,7.691322909,11.69132291,16.218912,2.703152,7.693125513,-8.88E-16,2.22E-16,3.70E-17,-21.62619203,16.7261622,2.7876937,1.690184455,20.41925683,8.773303356,13.7601902,20.41925683,3.403209472,8.774152093,-0.111111111,3.33E-16,5.55E-17,-21.38291297,16.85211441,2.808685735,1.69468568,0,11.8,12.2000406,-0.275047159,0.125393045,6.507411101,6.916271118,6,14,12,12,4,2,2,0,0,2,8.745656,3.652770264,2.732532155,2.637748054,1.34343628,0.949935497,0.648139694,0.083923071,0.083923071,1.937045977,1.214178576,1.204666848,0.564841549,0.321114365,0.219176207,0.083923071,0.083923071,3.670755159,2.760499175,2.67597618,1.443083845,1.063332417,0.793869375,0.270913902,0.270913902,1.89277851,1.130709784,1.129630039,0.419295879,0.161222395,0.048396132,0.270913902,0.270913902,3.751607716,2.891173213,2.846919161,1.853556316,1.529944724,1.35179833,0.943918427,0.943918427,1.768132002,0.91865211,0.881335689,0.070778177,0.384695112,0.551157612,0.943918427,0.943918427,3.684093435,2.781531637,2.704336978,1.515242343,1.145577488,0.896535888,0.399277246,0.399277246,1.865103366,1.082564334,1.07710956,0.321525244,0.053265205,0.067913415,0.399277246,0.399277246,3.792163666,2.958935448,2.930904426,2.034410177,1.733502026,1.581442371,1.207644823,1.207644823,1.730827448,0.856931064,0.803313304,0.245578961,0.582287225,0.777716454,1.207644823,1.207644823,3.718129218,2.848492662,2.684878755,1.563843045,1.267843568,1.030236881,0.545454545,0.545454545,1.847451661,1.040795598,1.011512662,0.231058406,0.082038308,0.208083163,0.545454545,0.545454545,0,0,0,4,0,0,2,0,0,0,0,0,0.125,0,0,0,0,0.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,3.723614639,2.316496581,1.433654969,0.883276638,0.54203502,0.333333333,0,0,0.62060244,0.386082763,0.238942495,0.147212773,0.09033917,0.055555556,0,0,8.167311215,13.55134741,12.90196078,13.04,9.194217964,105.5984096,0.583379373,0.967953387,0.921568627,0.931428571,0.656729855,7.542743541,1.74498,26.974,21,27,42,7,21,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,36,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,2,2,0,4,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.534722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.532638889,0,0,0.667361111,0.667361111,0,1.532638889,0,0,0,0,0,0,0,0,0,0,2.465277778,0,8.534722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.359722222,0,0,0.333680556,0.333680556,0,0.359722222,0,0,0,0,0,0,0,0,0,0,1.232638889,0,2.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.406597222,0,0,0.333680556,0.333680556,0,0.406597222,0,0,0,0,0,0,0,0,0,0,1.232638889,0,2.180555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.406597222,2.180555556,0.333680556,1.232638889,3.577986111,0.267361111,0.180555556,1.069444444,0.267361111,0.180555556,1.069444444,3,0.5,0,0,0.47143,0.7,0.43333,0.43333,0.7,0.0381,0.0381,0,0,0.71429,0,0,0,0,0,6,1,3,0.5,3,0.5,0,0,0,0,2.8424,0.47373,5,2.1576,0.3596,1.73246,0.28874,3,1.26754,0.21126,-0.086,-0.01433,0,0,0.428571429,6,0,0,0,0,0,0,0.333333333,0.985228136,2.235926351,2.521640636,2.521640636,2.521640636,2.521640636,13.7931939,31.30296891,35.30296891,35.30296891,35.30296891,35.30296891,0.258769712,0.587265016,0.662307741,0.662307741,0.662307741,0.662307741,2.822126786,1.571428571,1.285714286,1.285714286,1.285714286,1.285714286,0.246307034,0.558981588,0.630410159,0.630410159,0.630410159,0.630410159,6.75154531,15.47868105,15.76663106,15.76663106,15.76663106,15.76663106,22.55053414,18.56892228,18.10757661,18.10757661,18.10757661,18.10757661,4.166666667,2.222222222,1.333333333,0,4,0,2.12,0.7594,0,0,0,0,9.125465128,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.115,0.112,0.477,0.52,3.004,6,6,6,6,0,0,0,0,0,36,2.197224577,2.397895273,2.63905733,2.833213344,3.044522438,0,0,0,0,0,4.304065093,2.027777778,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,13,18,3,9.000420062,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,0,94.70299035,3.584962501,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,65.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921172722,80.06260026,5.718757161,11.8125,1.96875,0,0,0,27,3,2.454,24,1.202074622,2.08432327,2.82538533,3.807954152,4.566733754,0,0,0,0,0,89.81747552,99.59552426,59.62612621,21.56880863,4.640093765,0,0,0,0,0,313.7733332,404.1435963,333.0554811,251.8634589,141.9511849,0,0,0,0,0,8.796758583,15.01830624,19.87324445,26.22061776,30.68143632,0,0,0,0,0,2.29268377,3.18363317,3.00624455,2.760584134,2.03042876,0,0,0,0,0,169.0707394,308.8239098,453.4477042,653.4175147,844.4696831,0,0,0,0,0,3.027692968,4.532658881,4.910086631,5.194958705,4.566733754,0,0,0,0,0,0.472162689,0.664956169,0.643425958,0.609524369,0.467633536,0,0,0,0,0,198.6559935,71.80422764,9.164764411,47.70760426,-17.24391808,-3.290051553,150.9483892,89.04814572,12.45481596,0.806352867,0.29145632,0.037200157,0.193647133,-0.069993774,-0.013354455,48.94160526,17.68994785,2.257864333,11.75341703,-4.248273697,-0.810548937,0.169978361,0.231643218,4.478480987,2.170890318,246.3635977,0,1,0,489.9536316,22.13489624,7.883486477,568.2991694,23.83902618,8.283089241,714.3009316,26.72640888,8.93909883,1.21056403,1.019071054,166.5373105,88.56483118,84.63123913,1.880400022,1.967799506,1.046479197,2.907071034,3.413860202,4.857016775,0.422734526,2.55819661,0.463739155,10.79392988,4.513363313,6.672799583,2.461728473,4.676928847,3.924964194,0.12945522,1.11E-18,1.83E-57,5.85E-118,3.59E-200,4.26E-304,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.215020463,0.463654449,0.769188712,0.467834178,0.56002596,0.206595595,0.033889961,0.027643844,9.12E-04,7.81E-21,1.29E-59,4.12E-120,2.53E-202,3.00E-306,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.69331267,0.463660335,2.570496247,0.738165228,1.807766683,0.666915909,0.34570077,0.288070165,0.009501281,8.14E-20,1.35E-58,4.29E-119,2.64E-201,3.13E-305,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.414749045,0.463729935,10.09356514,4.069199924,6.298577594,2.323670718,4.167713511,3.497072433,0.11534227,9.88E-19,1.63E-57,5.21E-118,3.20E-200,3.80E-304,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.021645275,0.463667761,3.879769865,1.088662938,2.66430356,0.982911488,0.748570613,0.625726893,0.020638051,1.77E-19,2.92E-58,9.32E-119,5.73E-201,6.80E-305,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.089318375,0.463777874,13.48545809,6.381010273,8.058377857,2.972894353,6.817762643,5.724191402,0.188798272,1.62E-18,2.67E-57,8.52E-118,5.24E-200,6.22E-304,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.356398773,0.445819096,5.286818521,1.640669507,3.970342712,1.441599476,1.394100202,1.167757942,0.038515603,3.30E-19,5.46E-58,1.74E-118,1.07E-200,1.27E-304,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.818031904,1.701287095,0.235960958,0.484126863,0.453038685,0.54307121,0.485390492,0.285713345,3.755279957,3.923416098,8.408521932,0.405748322,1.314175047,1.085920388,1.018044265,0.041556948,0.506133514,0.474497327,0.193511999,0.175522221,0.00886217,2.145521601,1.192949373,3.384412804,0.470946262,0.37789639,1.34170336,1.257486193,0.109577879,0.495318773,0.464228187,0.295548995,0.266561371,0.061616559,2.708767432,1.971987128,4.865631447,0.439320439,0.623726925,1.79593141,1.680730921,0.230101912,0.484501115,0.453422665,0.529931095,0.473815214,0.271700685,3.706764243,3.818464102,8.219785778,0.40688567,1.275446994,1.469300623,1.376563493,0.143459517,0.491516076,0.460493296,0.354515728,0.318881683,0.105611191,2.989323634,2.430851892,5.71033468,0.428014059,0.779008603,1.888844707,1.767135874,0.254731914,0.482992475,0.451870567,0.586258994,0.523412161,0.332978949,3.910712495,4.269140172,9.030108374,0.402294564,1.442650103,1.795719687,1.682519969,0.230022372,0.484248328,0.453721974,0.52976962,0.475009349,0.271512855,3.708262028,3.821407167,8.22464366,0.406955454,1.276291824 +UMLYSI0133,L,1-methyl-1-cyclopentene,CC1=CCCC1,aliphatic,C6H10,693-89-0,12746,PubChem,,97.7,0,0.9442,0.89151364,26.8294,17.22793,0,0,16,6,10,0,6,0,0,0,0,0,0,0,0,0,875.745366,986.655606,1221.765727,577.151906,138.343968,12.192768,0,0,0,2851.938855,3688.467574,5101.643257,3796.813424,1675.789819,373.0049332,0,0,0,112.427736,116.419416,214.09414,245.971208,185.390208,80.621568,0,0,0,21.17952905,27.8688431,41.1202307,35.63544818,18.69386248,5.335354858,0,0,0,2609.942657,2291.991614,4600.149716,5624.58383,4674.825562,2219.011824,0,0,0,27.52777778,33.66666667,53.75,56.16666667,34,12,0,0,0,54.73408538,61.66597537,40.72552423,16.49005446,5.123850667,1.016064,0,0,0,178.2461784,230.5292234,170.0547752,108.4803836,62.06628959,31.08374443,0,0,0,7.0267335,7.2762135,7.136471333,7.0277488,6.866304,6.718464,0,0,0,1.323720566,1.741802694,1.370674357,1.018155662,0.692365277,0.444612905,0,0,0,163.121416,143.2494759,153.3383239,160.7023951,173.1416875,184.917652,0,0,0,1.720486111,2.104166667,1.791666667,1.604761905,1.259259259,1,0,0,0,0.030096513,0.003196455,-0.008016671,-0.028352693,0.008597938,0.009526714,0,0,0,453.9975338,3.98E-13,-49.18306616,-387.7895601,5.674969172,204.2988902,0,0,0,844.2278004,1.56E-13,-91.45801171,-721.1112462,10.5528475,379.9025102,0,0,0,0.088935,1.37E-15,-0.009634625,-0.075965312,0.001111687,0.04002075,0,0,0,3.774091068,1.17E-15,-0.408859866,-3.223702787,0.047176138,1.698340981,0,0,0,20.50092258,5.11E-14,-2.22093328,-17.51120471,0.256261532,9.225415162,0,0,0,2.109375,-0.154513889,0.156032986,-1.878146701,0.008138021,0.813802083,0,0,0,0.001881032,2.00E-04,-2.67E-04,-8.10E-04,3.18E-04,7.94E-04,0,0,0,28.37484586,2.49E-14,-1.639435539,-11.07970172,0.210184043,17.02490752,0,0,0,52.76423752,9.77E-15,-3.04860039,-20.60317846,0.390846204,31.65854251,0,0,0,0.005558437,8.55E-17,-3.21E-04,-0.002170437,4.12E-05,0.003335062,0,0,0,0.235880692,7.29E-17,-0.013628662,-0.092105794,0.001747264,0.141528415,0,0,0,1.281307661,3.19E-15,-0.074031109,-0.500320134,0.009491168,0.768784597,0,0,0,0.131835938,-0.009657118,0.0052011,-0.053661334,3.01E-04,0.06781684,0,0,0,0.106206836,-0.142061567,-0.430655577,0.169291192,0.422051722,0,0,0,8.76E-16,-0.057777778,-0.39047619,0.007407407,0.6,0,0,0,1.85E-16,-0.057777778,-0.39047619,0.007407407,0.6,0,0,0,1.54E-14,-0.057777778,-0.39047619,0.007407407,0.6,0,0,0,3.09E-16,-0.057777778,-0.39047619,0.007407407,0.6,0,0,0,2.49E-15,-0.057777778,-0.39047619,0.007407407,0.6,0,0,0,-0.073251029,0.039451303,-0.407031158,0.002286237,0.514403292,0,0,0,1.066622541,1.292128641,1.444070588,0.504116527,0.001380277,0,0,0,1.25,1.133333333,1.314285714,0.740740741,0,0,0,0,1.25,1.133333333,1.314285714,0.740740741,0,0,0,0,1.25,1.133333333,1.314285714,0.740740741,0,0,0,0,1.25,1.133333333,1.314285714,0.740740741,0,0,0,0,1.25,1.133333333,1.314285714,0.740740741,0,0,0,0,1.333333333,0.915226337,1.475837743,0.724279835,0,0,0,0,16.07350083,8.036750417,11.87553838,16.07350083,2.678916806,8.03768869,-5.33E-15,0.014311245,0.002385207,-2.548025817,21.47271448,3.578785747,1.840069821,16.07350083,8.036750417,11.87553838,16.07350083,2.678916806,8.03768869,-5.33E-15,0.014311245,0.002385207,-2.548025817,21.47271448,3.578785747,1.840069821,16.07350083,8.036750417,11.87553838,16.07350083,2.678916806,8.03768869,-5.33E-15,0.014311245,0.002385207,-2.548025817,21.47271448,3.578785747,1.840069821,16.07350083,8.036750417,11.87553838,16.07350083,2.678916806,8.03768869,-5.33E-15,0.014311245,0.002385207,-2.548025817,21.47271448,3.578785747,1.840069821,16.07350083,8.036750417,11.87553838,16.07350083,2.678916806,8.03768869,-5.33E-15,0.014311245,0.002385207,-2.548025817,21.47271448,3.578785747,1.840069821,16.07350083,8.036750417,11.87553838,16.07350083,2.678916806,8.03768869,-5.33E-15,0.014311245,0.002385207,-2.548025817,21.47271448,3.578785747,1.840069821,17.15886309,8.529431546,12.70051937,17.09219643,2.848699404,8.530023638,-0.1,0.142485381,0.023747563,-1.169109526,21.01766797,3.502944662,1.82721805,0,11.9,12.1000824,-0.139077747,0.061495464,5.839745305,7.492007203,6,16,15,15,5,1,1,0,0,1,10.93207,3.678137484,2.747103276,2.355813088,1.975963684,1.150869371,0.343083398,0.083923071,0.083923071,1.754520439,1.687517145,1.188384144,0.645277741,0.555655479,0.083923071,0.083923071,0.083923071,3.696932743,2.791500679,2.405207026,2.043503576,1.268172845,0.471247769,0.270913902,0.270913902,1.702396596,1.619861007,1.080219324,0.505502562,0.41401564,0.270913902,0.270913902,0.270913902,3.781815199,2.989913008,2.625219407,2.326004333,1.732417956,0.958552952,0.943918427,0.943918427,1.5621384,1.417595025,0.730798023,0.051001877,0.067202604,0.943918427,0.943918427,0.943918427,3.710895962,2.824454472,2.44183568,2.092543643,1.35183446,0.561642133,0.399277246,0.399277246,1.670393235,1.576439685,1.00866449,0.41269785,0.318624864,0.399277246,0.399277246,0.399277246,3.824544477,3.086859989,2.732257719,2.454405997,1.929708226,1.207644823,1.207644823,1.207644823,1.522230422,1.353855165,0.611658759,0.104051087,0.240894356,1.15324661,1.207644823,1.207644823,3.733539337,2.903808337,2.486849224,2.181706543,1.461610347,0.695456946,0.590163934,0.590163934,1.615708018,1.560802866,0.865063101,0.285077235,0.18549984,0.590163934,0.590163934,0.590163934,0,0,0,1,1,1,3,0,0,0,0,0.144337567,0.144337567,0,0,0,0.102062073,0.102062073,0,0.288675135,0,0,0,0.204124145,0,0,0,0.40824829,0.433012702,0,0.288675135,0.306186218,0,4.405777394,2.89384685,2.389628766,1.64384685,1.129936127,0.288675135,0,0,0.734296232,0.482307808,0.341375538,0.234835264,0.161419447,0.144337567,0,0,4.198670613,2.550476816,1.942705341,1.268037688,0.831424626,0.204124145,0,0,0.699778435,0.425079469,0.277529334,0.181148241,0.118774947,0.102062073,0,0,8.709139019,15.43918427,14.62745098,14.8,9.992772455,121.8839701,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,2.04279,27.338,18.09925825,25.29161865,36.19851651,6.033086084,18.09925827,0.064833572,0.010805595,-1.641559038,30.97618464,5.16269744,2.059931203,29,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,3,0,1,0,0,0,0,0,0,0,0,1,0,3,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.898148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.836111111,0.870833333,0,0.304166667,0,0,0,0,0,0,0,0,2.201388889,0,4.06712963,0,2.319444444,0,0,0,0,1.578703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.578703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.255555556,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.201388889,0,1.325231481,0,2.319444444,0,0,0,0,1.578703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.319444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.290277778,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.201388889,0,1.394675926,0,2.319444444,0,0,0,0,1.578703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.16666667,1.694444444,0.304166667,2.319444444,0.069444444,1.325231481,3.338203704,0.174768519,0.319444444,1.041666667,0.174768519,0.319444444,1.041666667,3,0.5,0,0,0.45,0.7,0.43333,0.43333,0.7,0.01667,0.01667,0,0,0.71429,0,0,0.16667,0.16667,0,4,0.66667,3,0.5,1,0.16667,-2,-0.33333,0,0,4.33534,0.72256,5.2306,0.89526,0.14921,2.3406,0.3901,2.89384,0.55324,0.09221,0.02016,0.00336,0.10616,0.01769,0.3125,6,0,0,0,0,0,0,0.666666667,0.954434003,2.091917187,3.077819531,3.327819531,3.202819531,3.327819531,15.27094405,33.47067499,49.2451125,53.2451125,51.2451125,53.2451125,0.238608501,0.522979297,0.769454883,0.831954883,0.800704883,0.831954883,3.045565997,1.908082813,0.922180469,0.672180469,0.797180469,0.672180469,0.233502796,0.511788674,0.752990217,0.814152852,0.783571535,0.814152852,6.794779896,17.22252709,19.59016602,19.84212228,18.34212228,19.84212228,23.34095565,14.95225468,13.35845859,12.85845859,14.35845859,12.85845859,4.166666667,1.632653061,0.979591837,0,2,0,2.12,0.8024,0,1.632993162,1,0,4.242640687,2.828427125,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.076,0.353,0.392,3.041,7,7,7,2,0,0,0,0,0,35,2.079441542,2.397895273,2.48490665,2.564949357,1.386294361,0,0,0,0,0,3.912023005,1.4,0.333333333,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,0,2,3,0.5,1,0.444444444,0.222222222,0,0,0,0,0,0,0,0.166666667,0.063492063,0.111111111,0,0,0,0,0,0,0,0.341269841,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,0,97.33944905,3.584962501,3.295836866,4.007333185,4.762173935,5.493061443,6.251903883,6.989335266,7.747164967,8.487764381,9.243871855,68.27844578,2.564949357,0,3.713572067,2.397895273,5.017279837,4.442651256,6.385194399,6.224558429,7.788626066,8.245646901,82.07825032,5.129890645,11.57549817,1.929249695,0,0,0,26,2,2.391,26,1.295717689,2.289582472,3.190700003,3.966973218,5.076861149,0,0,0,0,0,95.09295523,103.1201837,59.40088957,22.69898255,5.158415846,0,0,0,0,0,334.1946406,417.814637,364.9886981,264.1119324,157.8078545,0,0,0,0,0,9.476528449,16.40506449,22.46407952,27.32384174,34.10870886,0,0,0,0,0,2.449464279,3.312749328,3.36215228,2.889705124,2.257237983,0,0,0,0,0,182.5844923,346.353569,509.861496,680.0462197,938.8012433,0,0,0,0,0,2.815573595,4.221018964,5.195342397,5.152475038,5.076861149,0,0,0,0,0,0.504744013,0.693191781,0.721440427,0.637824793,0.519870582,0,0,0,0,0,290.6615922,92.1991131,8.954808848,174.0682858,-55.21521248,-7.559710382,116.5933064,147.4143256,16.51451923,0.625442017,0.198392911,0.019268847,0.374557983,-0.118811411,-0.016266891,135.0791263,42.84768259,4.161567224,80.89473324,-25.66015896,-3.513223284,0.180180067,0.268011928,3.985952137,3.540017761,464.729878,0,1,0,357.9912854,18.92065764,7.100530843,455.0739585,21.33246255,7.691788393,529.7668003,23.01666354,8.091485237,1.369174524,1.17802809,248.8399156,180.318201,81.90868291,1.380004427,3.038016322,2.201454041,3.437326443,3.479064736,5.62183571,0.615904313,2.870679673,2.71586654,6.151082813,8.648896109,4.224785942,9.471957244,4.32281053,3.865527016,2.860035925,1.694293765,6.46E-07,3.23E-34,3.26E-83,6.35E-154,2.39E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.240930735,2.715679326,1.703134986,2.300154101,0.303045613,0.58168188,0.130252105,0.12819085,0.14477582,0.01193305,4.55E-09,2.27E-36,2.29E-85,4.47E-156,1.68E-248,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.777718558,2.715692206,2.574479676,3.158550606,0.97159408,2.017735232,0.553699042,0.541046817,0.530115075,0.124351576,4.74E-08,2.37E-35,2.39E-84,4.66E-155,1.75E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.709688327,2.715846117,5.865843155,8.10545162,3.938015904,8.793750178,3.913196256,3.512906607,2.634057283,1.509585242,5.75E-07,2.88E-34,2.90E-83,5.66E-154,2.13E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.14620657,2.71570857,3.183490747,3.877720776,1.469713995,3.115967303,0.972753859,0.928385903,0.844789256,0.270108241,1.03E-07,5.15E-35,5.19E-84,1.01E-154,3.80E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.466758163,2.715952336,7.221888686,10.83676644,5.339572387,12.1351438,6.01308975,5.311713805,3.764577444,2.470968224,9.42E-07,4.71E-34,4.75E-83,9.26E-154,3.48E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.708267584,2.816418708,3.991112953,5.397314519,2.397776709,4.866971678,1.712579211,1.610889611,1.505814819,0.590111454,2.25E-07,1.12E-34,1.13E-83,2.21E-154,8.31E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.120503119,1.545098728,0.41449155,0.614260974,0.304147701,0.576141885,0.597877651,0.498383376,5.080093396,6.755337939,13.83389629,0.421391461,1.672402911,2.118729875,0.917825073,0.081497026,0.679504348,0.294358491,0.264964669,0.210367845,0.019268803,3.118051975,2.192093601,5.4686266,0.519256523,0.494601317,2.494374334,1.153075626,0.206370696,0.647247124,0.29920324,0.367631437,0.33245961,0.123552271,3.853820656,3.628929034,8.076313549,0.470870685,0.823643317,3.093334055,1.528089908,0.405461142,0.615358018,0.303983456,0.566124003,0.584754149,0.476904619,5.026885105,6.600700388,13.54415674,0.423037027,1.627782771,2.670874124,1.263593534,0.265040169,0.635996939,0.300890863,0.421677827,0.39944448,0.203784502,4.199507827,4.417691246,9.511682946,0.453995409,1.024906809,3.206422234,1.598886268,0.443049002,0.610938228,0.304645076,0.608401671,0.640338461,0.569420414,5.248357504,7.255691614,14.77543042,0.416407342,1.818160547,3.097466431,1.528620035,0.406267636,0.615510429,0.303758441,0.56764435,0.585167561,0.478802302,5.032354102,6.614278458,13.57024857,0.423265643,1.631614214 +UMLYSI0134,L,1-dodecene,CCCCCCCCCCC=C,alkenes,C12H24,112-41-4,8183,PubChem,,90.3,0,-1.2896,1.66306816,43.7905,37.123032,0,0,36,12,24,0,12,0,0,0,0,0,0,0,0,0,1755.554988,1877.475443,1976.454826,1825.335297,1630.610696,1433.853967,1237.097238,1040.340509,843.58378,5828.212687,7412.364712,9572.932199,9706.634037,8762.003181,7755.204836,6748.406491,5741.608146,4734.809801,251.729328,253.768844,468.803368,634.745412,585.29744,522.41254,459.52764,396.64274,333.75784,44.13750972,57.40296344,81.55137309,88.3156144,80.18331135,71.16178249,62.14025364,53.11872478,44.09719592,5959.555922,5069.679062,10256.14259,15032.5925,13923.47265,12444.51749,10965.56234,9486.607182,8007.652027,61.25,71,108.25,131,120.75,108.5,96.25,84,71.75,48.76541633,53.64215551,29.94628524,20.05862964,19.4120321,19.11805289,18.74389755,18.25158788,17.57466208,161.8947969,211.7818489,145.0444273,106.6663081,104.3095617,103.4027311,102.2485832,100.7299675,98.64187085,6.992481333,7.2505384,7.103081333,6.975224308,6.967826667,6.965500533,6.96254,6.958644561,6.953288333,1.226041937,1.64008467,1.235626865,0.970501257,0.95456323,0.948823767,0.941518994,0.931907452,0.918691582,165.54322,144.8479732,155.3960998,165.1933242,165.7556268,165.9268999,166.1448839,166.431705,166.8260839,1.701388889,2.028571429,1.640151515,1.43956044,1.4375,1.446666667,1.458333333,1.473684211,1.494791667,0.070393724,-0.007612276,-0.033385028,0.001676797,0.001215078,9.05E-05,9.71E-07,-1.72E-05,-7.06E-05,968.528072,-53.80711511,-443.9086997,-26.90355756,2.10E-13,2.10E-13,2.66E-13,2.66E-13,3.23E-13,1801.019308,-100.0566282,-825.4671826,-50.0283141,1.35E-13,2.13E-14,-9.24E-14,-9.24E-14,-2.06E-13,0.189728,-0.010540444,-0.086958667,-0.005270222,-4.17E-16,-4.31E-16,-4.31E-16,-4.45E-16,-4.45E-16,8.051394279,-0.447299682,-3.690222378,-0.223649841,-3.55E-15,-3.55E-15,-3.55E-15,-3.55E-15,-3.55E-15,43.73530151,-2.429738973,-20.04534652,-1.214869486,9.61E-14,9.61E-14,9.26E-14,8.90E-14,9.08E-14,6.243055556,-0.368248457,-1.66087963,-0.044945988,0.023148148,-0.02025463,-0.063657407,-0.107060185,-0.150462963,0.001955381,-2.17E-04,-5.06E-04,1.84E-05,1.45E-05,1.21E-06,1.47E-08,-3.01E-07,-1.47E-06,26.90355756,-1.537346146,-6.725889389,-0.29564349,2.50E-15,2.79E-15,4.04E-15,4.67E-15,6.74E-15,50.0283141,-2.858760806,-12.50707852,-0.549761693,1.61E-15,2.84E-16,-1.40E-15,-1.62E-15,-4.29E-15,0.005270222,-3.01E-04,-0.001317556,-5.79E-05,-4.97E-18,-5.75E-18,-6.53E-18,-7.81E-18,-9.27E-18,0.223649841,-0.012779991,-0.05591246,-0.002457691,-4.23E-17,-4.74E-17,-5.38E-17,-6.23E-17,-7.40E-17,1.214869486,-0.069421114,-0.303717372,-0.013350214,1.14E-15,1.28E-15,1.40E-15,1.56E-15,1.89E-15,0.17341821,-0.010521384,-0.025164843,-4.94E-04,2.76E-04,-2.70E-04,-9.65E-04,-0.001878249,-0.003134645,-0.111228237,-0.258688053,0.0094234,0.007397644,6.17E-04,7.52E-06,-1.54E-04,-7.52E-04,-0.057142857,-0.25,-0.010989011,9.28E-17,1.04E-16,1.50E-16,1.74E-16,2.50E-16,-0.057142857,-0.25,-0.010989011,3.21E-17,5.68E-18,-2.80E-17,-3.24E-17,-8.58E-17,-0.057142857,-0.25,-0.010989011,-9.42E-16,-1.09E-15,-1.24E-15,-1.48E-15,-1.76E-15,-0.057142857,-0.25,-0.010989011,-1.89E-16,-2.12E-16,-2.41E-16,-2.79E-16,-3.31E-16,-0.057142857,-0.25,-0.010989011,9.42E-16,1.06E-15,1.15E-15,1.29E-15,1.56E-15,-0.060670586,-0.145110729,-0.002848097,0.001589067,-0.001557286,-0.005561735,-0.010830748,-0.01807564,1.471534648,1.299647205,0.831017471,0.843519281,0.867370247,0.890877515,0.921202472,0.963274682,1.5,1.425189394,0.961538462,0.9375,0.933333333,0.928030303,0.921052632,0.911458333,1.5,1.425189394,0.961538462,0.9375,0.933333333,0.928030303,0.921052632,0.911458333,1.5,1.425189394,0.961538462,0.9375,0.933333333,0.928030303,0.921052632,0.911458333,1.5,1.425189394,0.961538462,0.9375,0.933333333,0.928030303,0.921052632,0.911458333,1.5,1.425189394,0.961538462,0.9375,0.933333333,0.928030303,0.921052632,0.911458333,1.44160178,0.923753666,0.716180371,0.742491657,0.794215795,0.860046516,0.946665886,1.065767519,97.02270756,48.51135378,77.70594487,97.02270756,8.08522563,48.51135378,-4.97E-14,0.03189205,0.002657671,-4.134478202,68.6026667,5.716888891,5.073997689,97.02270756,48.51135378,77.70594487,97.02270756,8.08522563,48.51135378,-4.97E-14,0.03189205,0.002657671,-4.134478202,68.6026667,5.716888891,5.073997689,97.02270756,48.51135378,77.70594487,97.02270756,8.08522563,48.51135378,-4.97E-14,0.03189205,0.002657671,-4.134478202,68.6026667,5.716888891,5.073997689,97.02270756,48.51135378,77.70594487,97.02270756,8.08522563,48.51135378,-4.97E-14,0.03189205,0.002657671,-4.134478202,68.6026667,5.716888891,5.073997689,97.02270756,48.51135378,77.70594487,97.02270756,8.08522563,48.51135378,-4.97E-14,0.03189205,0.002657671,-4.134478202,68.6026667,5.716888891,5.073997689,97.02270756,48.51135378,77.70594487,97.02270756,8.08522563,48.51135378,-4.97E-14,0.03189205,0.002657671,-4.134478202,68.6026667,5.716888891,5.073997689,120.8336396,60.10830336,97.36328358,120.4817877,10.04014897,60.10830336,-0.527777778,0.060987513,0.005082293,-3.356503377,68.34234974,5.695195812,5.069435555,0,11.79,12.21009945,-0.306948042,0.113337828,5.122884013,7.545369788,11,35,34,34,10,1,1,0,0,1,26.236968,3.534437823,3.414371147,3.211369072,2.935422761,2.607244663,2.255190003,1.911720091,1.607829398,1.938701991,1.841120936,1.691007374,1.504159944,1.29743691,1.089040798,0.898966626,0.742936157,3.561899369,3.443046039,3.243875807,2.974654165,2.655992466,2.316110089,1.987101215,1.698900093,1.879937385,1.778635052,1.621596518,1.423820294,1.202760904,0.978731014,0.773733593,0.604928399,3.68231511,3.569425445,3.386900198,3.146661775,2.868453113,2.578667792,2.30633442,2.075921826,1.706281712,1.594693193,1.415409655,1.180732199,0.910155612,0.629492774,0.366970229,0.145980737,3.582113485,3.464189521,3.267838639,3.003559607,2.691867,2.360813238,2.042130871,1.764897403,1.842448147,1.738820822,1.577193527,1.372015698,1.141171947,0.906287907,0.690697481,0.512647822,3.740738296,3.631078543,3.456393793,3.229537591,2.969617939,2.701513024,2.452241466,2.243724215,1.651860439,1.537368912,1.350681107,1.103252474,0.815109531,0.513289088,0.227771601,0.01556609,3.695539838,3.491532996,3.32228716,3.066910605,2.755336243,2.424083937,2.110128617,1.843071319,1.869914734,1.727020812,1.514021489,1.263916407,1.01167913,0.780480944,0.574571804,0.397364031,0,0,1,1,0,1,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.071067812,5.914213562,3.828427125,2.457106781,1.560660172,0.978553391,0.603553391,0.364276695,0.755922318,0.537655778,0.382842712,0.273011865,0.195082521,0.139793342,0.100592232,0.072855339,8.648418081,5.523603362,3.552224003,2.261801681,1.422558611,0.880900841,0.53450261,0.31545042,0.720701507,0.50214576,0.3552224,0.251311298,0.177819826,0.125842977,0.089083768,0.063090084,18.50193365,34.65404224,32.70588235,33.12,21.58265389,276.3390611,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,4.62939,57.154,49.62873849,78.97647876,99.25747698,8.271456415,49.62873849,0,0,0,68.72631161,5.727192634,5.076158542,182,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,10,1,0,2,0,0,0,0,0,0,0,0,1,1,9,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.743876601,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.37125584,0.310491952,0,0,2.218252208,0.290277778,0,0.681747792,0,0,0,0,0,0,0,0,2.267939421,3.718992735,12.48818398,0,2.024883866,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.024883866,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.37125584,0.310491952,0,0,0.203802227,0.290277778,0,0.310491952,0,0,0,0,0,0,0,0,2.267939421,3.718992735,1.203333333,0,2.024883866,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.718992735,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.37125584,0.310491952,0,0,0.290277778,0.290277778,0,0.37125584,0,0,0,0,0,0,0,0,2.267939421,3.718992735,1.446358418,0,2.024883866,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.5,1.708333333,0.37125584,3.718992735,0.203802227,1.203333333,8.748661679,0.296666667,0.718992735,2.023632044,0.296666667,0.718992735,2.023632044,6,0.5,0,0,0.43333,0.7,0.42632,0.42632,0.7,0.00702,0.00702,0,0,0.71429,0,0,0.16667,0,0,6.5,0.54167,5.5,0.45833,1,0.08333,-4.5,-0.375,0,0,12.40958,1.03413,13.87794,1.46835,0.12236,5.34933,0.44578,5.91421,0.56488,0.04707,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,11,0,0,0,0,0,0,0.833333333,0.918295834,1.808992963,2.718128821,3.26633264,3.524944975,3.331569183,33.05865003,65.12374667,97.85263755,117.587975,126.8980191,119.9364906,0.177622661,0.349907003,0.525757882,0.631794976,0.681817429,0.644413445,4.251629167,3.360932038,2.451796181,1.903592361,1.644980026,1.838355819,0.177622661,0.349907003,0.525757882,0.631794976,0.681817429,0.644413445,6.73287657,13.43793847,16.94657831,18.34024422,18.33989147,16.30019678,47.39850003,37.01441681,30.96566634,27.37184758,27.25052872,31.97168273,12,11,11.11111111,12,2,12,2.78,1.7564,0.090909091,4.416250426,0,0,15.15959565,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,5.655,10,9,8,7,6,5,4,3,2,77,2.564949357,2.48490665,2.397895273,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,4.477336814,1.12987013,0.454545455,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0.818181818,10,0.909090909,1,6,11,0.833333333,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.045454545,0.022222222,0.013888889,0.01,0.007936508,0.006802721,0.00625,0.00617284,0.006666667,0.008264463,0.133658855,49.62873849,78.97647876,99.25747698,8.271456415,49.62873849,0,0,0,68.72631161,5.727192634,5.076158542,0,213.4718155,4.584962501,3.761200116,4.394449155,5.043425117,5.693732139,6.350885717,7.007600614,7.668093709,8.327726166,8.989818381,80.23693111,3.135494216,0,4.143134726,0,5.283203729,0,6.484635236,0,7.72001794,8.07059354,168.1878008,4.671883355,22.82859468,1.90238289,0,0,0,286,9,6.802,42,1.234771429,2.144445143,2.874713624,3.616221145,4.952849041,5.977129637,7.297643145,8.410216756,9.714305699,10.86558412,77.40690014,71.70032239,70.47724067,91.16393429,113.140348,133.7075067,152.6559275,168.4547804,179.2606578,180.2600239,287.6030586,332.1316802,339.0298918,446.7522551,567.0217938,682.332182,795.3484337,897.9171932,986.8667642,1044.941167,8.988503611,15.27884866,20.10823579,25.39379047,34.63226482,41.81473722,50.93710065,58.67117333,67.62840017,75.5055719,2.166745798,2.777618598,2.97481978,3.905825842,5.041011542,6.090287521,7.182730316,8.171836115,9.112144536,9.829446071,176.6286436,329.8980227,471.0730128,584.6972097,812.1028308,978.226441,1203.106599,1388.644,1614.447651,1815.748714,2.572371429,3.604491075,4.259953919,5.557768527,7.432841289,9.10997414,11.09061938,13.00229939,15.22195975,17.72092929,0.448758643,0.586500862,0.635024903,0.83253633,1.078202404,1.303196399,1.540407146,1.754670455,1.961620534,2.122526304,543.8926787,390.4464706,16.58798263,192.8116821,-138.414514,-13.10524631,351.0809966,528.8609846,29.69322894,0.738278077,0.529990715,0.022516471,0.261721923,-0.187883392,-0.017789017,400.6881083,287.6436176,12.22043914,142.045207,-101.970576,-9.654692108,0.078885462,0.142964423,1.628185756,3.713727649,736.7043608,0,1,0,703.5472233,26.52446462,8.89401282,936.6730262,30.60511438,9.784290485,1135.180147,33.69243456,10.43169616,3.62506598,3.62506598,3183.023992,3146.741124,69.61681433,1.0115303,45.72205756,45.20087789,5.756058046,8.108225633,15.14836533,0.86827131,6.938599958,9.605983292,4.608838005,42.78304065,18.28595042,1.027449124,8.79828189,8.952189784,30.05585516,0.738702524,2.065871007,25.04950743,3.580523388,27.69030752,1.35348856,2.540730501,10.21578186,3.735823167,16.9990383,2.14355274,2.655510119,3.044657458,5.433879708,5.025117237,3.702572261,1.566011537,0.174123443,2.646367615,0.221334571,8.53E-06,0.582319321,9.605543159,0.316966068,10.00077753,0.132630836,0.084881889,1.148936932,0.24206967,8.201321105,0.023737939,0.064826377,1.685432641,0.135080968,6.149123022,0.057193879,0.101194429,0.3654821,0.112341951,3.543357184,0.093140709,0.17050868,0.066602327,0.126438648,1.104751669,0.157160006,0.149229249,0.014277348,0.091466847,0.001558877,6.01E-08,1.87977171,9.605573442,1.069212655,12.32732459,1.351954583,0.267596509,2.701283735,1.116973647,11.07613565,0.101837092,0.250334236,5.648200028,0.545049555,9.596367557,0.22178911,0.327037283,1.494030742,0.495216545,5.798080806,0.357833468,0.452423419,0.33830633,0.625334894,1.71313688,0.608524115,0.310893852,0.046300966,0.381338305,0.016244705,6.26E-07,6.549473012,9.605935278,4.30229069,39.23193743,16.29509764,0.96632015,8.326793738,8.099504889,28.15680475,0.670933232,1.864496868,23.33391971,3.265829091,26.03557431,1.238751466,2.295117351,9.300693141,3.387788081,16.00128462,1.963604471,2.423666871,2.743413518,4.902197392,4.717246867,3.389183288,1.434160945,0.164123971,2.408012479,0.197205118,7.60E-06,2.770432101,9.605611915,1.62236988,15.22048854,2.92717323,0.395899584,3.769607564,1.985692308,13.52056998,0.17559292,0.443877446,8.607934165,0.913572819,12.24479937,0.364472472,0.562868928,2.530659994,0.863975946,7.491923606,0.585215044,0.712853309,0.624641571,1.141351469,2.187737001,0.999231875,0.459738088,0.068463629,0.649104167,0.035285671,1.36E-06,8.379361891,9.606184989,5.793578603,57.68449672,26.65581059,1.257671804,10.54762449,12.47201825,37.72430672,1.016871535,2.901021607,31.72544314,4.863514112,34.19853951,1.818478419,3.559428823,13.95826469,5.167740327,20.8908424,2.871613997,3.604429709,4.295063734,7.637225659,6.242082113,4.972298962,2.105420986,0.211389751,3.621932864,0.322795671,1.24E-05,4.142080575,7.996399228,2.568419678,20.1968463,6.283788232,0.520420456,5.829320584,3.466438787,16.93355607,0.294424734,0.79873647,12.56157769,1.471706858,16.60573445,0.569989745,1.003301632,4.295882809,1.471809522,11.22894736,0.90841462,1.15601381,1.179431876,2.082661252,4.109788679,1.852924381,1.050545221,0.118377701,1.234333124,0.075840995,2.92E-06,19.409825,0.819248444,0.459376838,0.938196179,0.039599314,0.53301812,0.645558783,0.555547763,20.68845028,25.1942367,53.18745348,0.907294268,1.734124666,18.68285379,0.314740465,0.099034402,0.97833257,0.016481468,0.493912463,0.095409472,0.025819949,19.09662866,7.761665483,27.44064119,0.967498855,0.615141885,18.97144258,0.515255239,0.242150721,0.961609216,0.026116843,0.509251263,0.255718657,0.154367101,19.72884854,14.49385311,36.58975767,0.942413824,0.919337021,19.39181316,0.806772326,0.450455774,0.939114456,0.039070692,0.532030509,0.626104713,0.534179887,20.64904126,24.74334767,52.4396696,0.908671685,1.692315109,19.10013847,0.604572935,0.305943555,0.954498416,0.030212551,0.516170109,0.351978611,0.246414258,20.01065496,17.57595622,41.11947198,0.931747625,1.114562978,19.46621981,0.858303276,0.487306305,0.935344003,0.041241126,0.536116476,0.708355341,0.625154378,20.81182939,26.61218848,55.56589274,0.903016004,1.869626196,19.53872192,0.807178047,0.45115641,0.939494588,0.03881213,0.540121565,0.626705653,0.535842899,20.79705637,24.95041058,52.86275728,0.909241883,1.702670117 +UMLYSI0135,L,"2,4,4-trimethyl-2-pentene",CC(=CC(C)(C)C)C,alkenes,C8H16,107-40-4,7869,PubChem,,89.3,0,3.1124,9.68703376,39.2295,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1663.702666,1254.032477,1099.01031,435.855168,54.867456,0,0,3885.475125,4800.404174,6651.947662,7165.995629,5847.421622,4130.518189,1678.522199,0,0,167.819552,166.665724,297.181864,350.878388,494.64924,256.234752,362.797056,0,0,29.42500648,37.33900896,53.48844684,62.94044964,56.1118228,40.08759516,24.00909686,0,0,3973.037281,3337.521256,6644.791652,7371.36388,12488.40461,5512.411718,9985.553209,0,0,44.34027778,52,77.25,103,97.5,72,54,0,0,48.76541633,52.3287937,39.61196824,25.59249953,15.26403208,12.107088,1.016064,0,0,161.8947969,208.713225,158.3797062,146.2448088,81.21418919,114.7366164,31.08374443,0,0,6.992481333,7.246335826,7.075758667,7.160783429,6.870128333,7.117632,6.718464,0,0,1.226041937,1.623435172,1.273534449,1.284498972,0.779330872,1.11354431,0.444612905,0,0,165.54322,145.1096198,158.2093251,150.4359975,173.450064,153.1225477,184.917652,0,0,1.847511574,2.260869565,1.839285714,2.102040816,1.354166667,2,1,0,0,0.039438195,-0.005821201,0.020418294,-0.061448704,0.038695793,-0.046791997,0.035228717,0,0,645.6853813,-53.80711511,282.4873543,-914.7209569,605.330045,-968.528072,726.396054,0,0,1200.679538,-100.0566282,525.297298,-1700.962679,1125.637067,-1801.019308,1350.764481,0,0,0.126485333,-0.010540444,0.055337333,-0.179187556,0.11858,-0.189728,0.142296,0,0,5.367596186,-0.447299682,2.348323331,-7.604094597,5.032121424,-8.051394279,6.038545709,0,0,29.15686767,-2.429738973,12.75612961,-41.30556253,27.33456344,-43.73530151,32.80147613,0,0,4.513599537,-2.582766686,5.137948495,-8.272268036,6.360243056,-7.384982639,4.485026042,0,0,0.001643258,-2.53E-04,4.86E-04,-0.001254055,5.37E-04,-0.001299778,6.52E-04,0,0,26.90355756,-2.339439787,6.725889389,-18.66777463,8.407361736,-26.90355756,13.45177878,0,0,50.0283141,-4.350288182,12.50707852,-34.71352407,15.63384816,-50.0283141,25.01415705,0,0,0.005270222,-4.58E-04,0.001317556,-0.003656889,0.001646944,-0.005270222,0.002635111,0,0,0.223649841,-0.019447812,0.05591246,-0.155185604,0.069890575,-0.223649841,0.111824921,0,0,1.214869486,-0.105640825,0.303717372,-0.842970664,0.379646714,-1.214869486,0.607434743,0,0,0.188066647,-0.112294204,0.122332107,-0.168821797,0.088336709,-0.205138407,0.083056038,0,0,-0.154020659,0.295845097,-0.763151672,0.327058518,-0.790975967,0.397006195,0,0,-0.086956522,0.25,-0.693877551,0.3125,-1,0.5,0,0,-0.086956522,0.25,-0.693877551,0.3125,-1,0.5,0,0,-0.086956522,0.25,-0.693877551,0.3125,-1,0.5,0,0,-0.086956522,0.25,-0.693877551,0.3125,-1,0.5,0,0,-0.086956522,0.25,-0.693877551,0.3125,-1,0.5,0,0,-0.597097919,0.6504721,-0.897670049,0.469709597,-1.09077505,0.441630874,0,0,1.49548127,0.81484193,2.233681592,0.507327567,1.699828658,0.003865837,0,0,1.5,0.872767857,1.93622449,0.44921875,2.15625,0,0,0,1.5,0.872767857,1.93622449,0.44921875,2.15625,0,0,0,1.5,0.872767857,1.93622449,0.44921875,2.15625,0,0,0,1.5,0.872767857,1.93622449,0.44921875,2.15625,0,0,0,1.5,0.872767857,1.93622449,0.44921875,2.15625,0,0,0,2.0585935,0.237176376,2.3636994,0.154817617,2.547855632,0,0,0,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,30.35084196,15.17542098,21.99380878,30.35084196,3.793855245,15.17542174,-7.11E-15,0.001330722,1.66E-04,-5.297626823,24.98845439,3.123556799,2.574731115,38.51339261,19.15461297,27.88185843,38.36026761,4.795033452,19.15461299,-0.204166667,0.100468985,0.012558623,-1.838324964,23.30135062,2.912668828,2.51880906,0,11.89,12.11011416,-0.149585895,0.073619716,6.0926875,9.078895313,7,23,22,22,6,1,1,0,0,1,17.491312,3.636381628,3.154776519,2.333552793,2.333552793,2.333552793,2.041566206,0.586636054,0.293902613,1.935388355,1.657005365,1.249629723,1.249629723,1.249629723,0.86910009,0.083923071,0.083923071,3.654187565,3.187392962,2.405454588,2.405454588,2.405454588,2.104520267,0.666603054,0.432521154,1.886862917,1.582665948,1.134540686,1.134540686,1.134540686,0.76295443,0.270913902,0.270913902,3.736376012,3.334211987,2.704236987,2.704236987,2.704236987,2.370836971,0.973746946,0.955639676,1.753573626,1.364004428,0.76031856,0.76031856,0.76031856,0.421478257,0.943918427,0.943918427,3.667509136,3.21163431,2.457539916,2.457539916,2.457539916,2.150438439,0.723235299,0.529946743,1.856795931,1.535235373,1.058262671,1.058262671,1.058262671,0.692900887,0.399277246,0.399277246,3.778804038,3.407069517,2.838982085,2.838982085,2.838982085,2.492774593,1.207644823,1.207644823,1.714933345,1.296585846,0.631337262,0.631337262,0.631337262,0.305274178,1.097028706,1.164050983,3.640767746,3.227818486,2.557155175,2.557155175,2.557155175,2.238146707,0.67242173,0.576478853,1.874452504,1.490716036,0.948216627,0.948216627,0.948216627,0.599403529,0.536312849,0.536312849,0,0,0,1,1,5,0,0,1,0,0,0,0,0,0,0,0,0,0,1.968908462,0.353553391,0,0,1.654700538,0.288675135,0,0,0.816496581,2.041241452,1.020620726,0.577350269,1.443375673,0.721687836,6.78445705,3.416502219,4.158631167,1.020620726,1.224744871,0,0,0,0.848057131,0.488071746,0.415863117,0.204124145,0.204124145,0,0,0,6.577350269,3.077350269,3.58771324,0.721687836,0.866025404,0,0,0,0.822168784,0.439621467,0.358771324,0.144337567,0.144337567,0,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,2,0,1,0,0,0,0,0,0,0,0,5,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.671296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.248611111,0,0,0.730208333,0.580555556,0,0.248611111,0,0,0,0,0,0,0,0,10.88541667,0,0,0,2.270833333,0,0,0,0,1.400462963,0,0,0.359953704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.400462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.248611111,0,0,0.243402778,0.290277778,0,0.248611111,0,0,0,0,0,0,0,0,2.130208333,0,0,0,2.270833333,0,0,0,0,1.400462963,0,0,0.359953704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.270833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.248611111,0,0,0.243402778,0.290277778,0,0.248611111,0,0,0,0,0,0,0,0,2.208333333,0,0,0,2.270833333,0,0,0,0,1.400462963,0,0,0.359953704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.91666667,1.864583333,0.290277778,2.270833333,0.050347222,0.359953704,5.229056713,0.890046296,0.270833333,2.3125,0.890046296,0.270833333,2.3125,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.625,0.125,0.125,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,8.51038,1.0638,9.73928,1.22889,0.15361,2.86803,0.3585,3.41649,0.54846,0.06856,0.49751,0.06219,0.49751,0.06219,0,7,0,0,0,0,0,0,0.75,0.918295834,1.861702233,2.468546354,2.468546354,2.27750625,1.704385937,22.03910002,44.68085358,59.2451125,59.2451125,54.66015,40.90526249,0.200284263,0.406045247,0.538400555,0.538400555,0.496733888,0.371733888,3.666666667,2.723260268,2.116416147,2.116416147,2.307456251,2.880576563,0.200284263,0.406045247,0.538400555,0.538400555,0.496733888,0.371733888,6.73287657,15.5820524,16.1936451,16.1936451,13.90116385,9.123666347,31.59900002,20.32164859,21.74047604,21.74047604,20.59423542,18.11071406,8,2.52,7.2,8,2,5,2.34,1.1928,3.298769777,2.5,2.58640929,3.221970075,0,1,1,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.123,0.124,0.163,3.271,10,5,6,0,0,0,0,0,0,36,2.197224577,2.63905733,2.397895273,2.564949357,0,0,0,0,0,0,3.951243719,1.416666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,6,0.857142857,0,2,4,1,4,0.666666667,0.75,0,0,0,0,0,0,0,0.571428571,0.066666667,0.15,0,0,0,0,0,0,0,0.788095238,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,0,144.287877,4,3.555348061,4.17438727,5.056245805,5.686975356,6.577861358,7.211556733,8.105005538,8.739536423,9.633841843,73.74075839,2.708050201,0,4.007333185,0,5.416100402,0,6.882437471,0,8.379079889,8.635687085,112.1252005,4.671883355,14.27908074,1.784885093,0,0,0,66,5,3.752,34,1.218234807,2.11124019,3.063442969,3.599612989,4.55223179,4.876615308,0,0,0,0,75.1764349,97.82528134,83.4437156,62.71068912,55.11427088,4.954953256,0,0,0,0,280.962083,374.7521455,459.7943795,316.4101925,522.3076726,151.5834639,0,0,0,0,8.864305492,15.02945255,21.95278711,24.79197536,32.40111066,32.76336439,0,0,0,0,2.12259398,2.934647382,3.998913825,2.957959119,5.069111808,2.168206098,0,0,0,0,174.5009793,327.496271,459.8475266,619.7697894,697.0493295,901.7722526,0,0,0,0,2.823150934,4.162775429,6.474745989,5.047872825,9.104463581,4.876615308,0,0,0,0,0.439835466,0.613498007,0.848343829,0.640099268,1.09253563,0.499365408,0,0,0,0,325.6586726,142.0891177,8.783961403,53.33691288,-23.27158933,-2.853423847,272.3217597,165.360707,11.63738525,0.85926772,0.374909691,0.023176949,0.14073228,-0.061403326,-0.007528911,123.4231993,53.85114834,3.329082595,20.21445452,-8.819829623,-1.081435042,0.13218865,0.183091419,2.058695725,0.541249953,378.9955854,0,1,0,449.1673716,21.19356911,7.658365102,609.6128881,24.69033997,8.479131683,792.7621189,28.15603166,9.255096753,1.670193965,1.651961581,437.199984,398.1151386,162.9926951,1.098174728,2.6823287,2.442533626,4.134386849,3.472760359,6.829753145,0.966664106,6.624711656,5.566311739,2.993764114,17.37541856,7.204583772,15.81534086,6.848665315,7.583764733,9.507939002,2.262424705,4.888018021,2.48E-04,0.055111374,3.09E-20,3.34E-60,6.98E-122,2.81E-205,2.18049540372147E-310,0,0,0,0,0,0,0,0,0,0,0,0,0.555969185,5.544026026,0.109883521,8.939759627,0.754077264,1.096874553,0.860492109,1.991173,1.25286984,0.083057818,0.127402044,1.75E-06,3.88E-04,2.18E-22,2.36E-62,4.92E-124,1.98E-207,1.535740741725E-312,0,0,0,0,0,0,0,0,0,0,0,0,1.794728905,5.545515342,0.44786508,9.776281457,1.606962952,3.678188786,1.483807251,2.411867251,2.24490202,0.338502107,0.59762448,1.82E-05,0.004044863,2.27E-21,2.45E-61,5.12E-123,2.06E-206,1.60036025911E-311,0,0,0,0,0,0,0,0,0,0,0,0,6.253187591,5.563865013,2.728532747,16.54577687,6.645611235,14.76462988,6.270167754,6.986369304,8.757407927,2.061998105,4.419155085,2.21E-04,0.049103242,2.75E-20,2.98E-60,6.22E-122,2.50E-205,1.9427821480742E-310,0,0,0,0,0,0,0,0,0,0,0,0,2.645098617,5.547446191,0.754310891,10.61341393,2.330154122,5.575788978,2.089548661,2.914702767,3.131668075,0.570096637,1.069329341,3.96E-05,0.008785983,4.93E-21,5.33E-61,1.11E-122,4.48E-206,3.476196333531E-311,0,0,0,0,0,0,0,0,0,0,0,0,8.000298046,5.576599863,4.076488532,20.80284238,9.460504762,19.87557498,9.231184618,10.08520828,12.56518041,3.080595976,6.825455157,3.62E-04,0.080374759,4.51E-20,4.88E-60,1.02E-121,4.10E-205,3.1800476199401E-310,0,0,0,0,0,0,0,0,0,0,0,0,3.810952406,4.501082852,1.058357236,12.77865904,3.115814995,8.029747327,2.664730127,3.941510524,4.538491823,0.901873557,1.753796881,7.14E-05,0.015851766,8.89E-21,9.62E-61,2.01E-122,8.08E-206,6.27179103046E-311,0,0,0,0,0,0,0,0,0,0,0,0,3.937195871,1.575898296,1.04726388,0.600149541,0.240215288,0.570631814,0.629391476,0.383545603,6.560358047,11.97828465,25.0365174,0.400224311,1.583568893,3.000029784,0.905178403,0.552455876,0.673004906,0.203061153,0.3305196,0.205852351,0.106733304,4.457664064,4.87301738,10.83090972,0.509507359,0.643105255,3.372136811,1.171671497,0.748977555,0.637119449,0.221371415,0.418007206,0.34630015,0.196174414,5.292785863,7.354247021,15.6062706,0.455679173,0.96048177,3.913984391,1.55930305,1.035013828,0.601383407,0.239586796,0.563892172,0.616105558,0.374625264,6.508301269,11.76801598,24.59309752,0.402075111,1.554622994,3.538047025,1.290411642,0.836575355,0.624541179,0.22778533,0.460345918,0.420691214,0.244745599,5.665034022,8.604906595,18.08935641,0.436811768,1.125782731,4.009867672,1.627850728,1.085615522,0.596410608,0.242119571,0.591993323,0.671904999,0.412151464,6.723333923,12.64786062,26.45751296,0.394615912,1.676049785,3.917144157,1.560916642,1.035897732,0.601346192,0.239626432,0.564798205,0.617365886,0.375265399,6.513958531,11.78904626,24.63683108,0.402019288,1.55742949 +UMLYSI0136,L,"2,3,4-trimethyl-2-pentene",CC(C)C(=C(C)C)C,alkenes,C8H16,565-77-5,11270,PubChem,,87,0,2.5755,6.63320025,38.6525,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1531.545633,1547.636168,1058.463172,333.2448,36.578304,0,0,3885.475125,4800.404174,6343.167377,7246.209404,6706.817662,4059.196059,1119.0148,0,0,167.819552,166.665724,296.75898,328.399136,441.719824,452.998656,241.864704,0,0,29.42500648,37.33900896,51.81309115,60.61229535,62.80715478,45.39880544,16.00606457,0,0,3973.037281,3337.521256,6671.119844,7023.782288,10209.10493,11441.48253,6657.035473,0,0,43.33333333,51.66666667,73.22222222,90.66666667,107,90,36,0,0,48.76541633,52.3287937,36.46537221,33.64426452,16.80100273,5.049163636,1.016064,0,0,161.8947969,208.713225,151.0277947,157.5262914,106.4574232,61.50297059,31.08374443,0,0,6.992481333,7.246335826,7.06569,7.139111652,7.011425778,6.863616,6.718464,0,0,1.226041937,1.623435172,1.233645027,1.317658595,0.996938965,0.687860689,0.444612905,0,0,165.54322,145.1096198,158.8361868,152.6909193,162.0492846,173.3557959,184.917652,0,0,1.805555556,2.246376812,1.743386243,1.971014493,1.698412698,1.363636364,1,0,0,0.035512751,1.14E-04,0.008014436,-0.024868276,-0.023270707,-9.91E-04,0.023245231,0,0,645.6853813,-53.80711511,201.7766817,-349.7462482,-524.6193723,-80.71067267,484.264036,0,0,1200.679538,-100.0566282,375.2123557,-650.3680833,-975.5521249,-150.0849423,900.5096538,0,0,0.126485333,-0.010540444,0.039526667,-0.068512889,-0.102769333,-0.015810667,0.094864,0,0,5.367596186,-0.447299682,1.677373808,-2.907447934,-4.361171901,-0.670949523,4.025697139,0,0,29.15686767,-2.429738973,9.111521147,-15.79330332,-23.68995498,-3.644608459,21.86765075,0,0,4.148148148,-1.929012346,2.092592593,-1.191358025,-2.25,-1.574074074,2.777777778,0,0,0.001479698,4.95E-06,1.91E-04,-5.41E-04,-3.69E-04,-1.50E-05,6.46E-04,0,0,26.90355756,-2.339439787,4.804206706,-7.603179309,-8.327291624,-1.22288898,13.45177878,0,0,50.0283141,-4.350288182,8.933627517,-14.13843659,-15.48495436,-2.274014277,25.01415705,0,0,0.005270222,-4.58E-04,9.41E-04,-0.001489411,-0.001631259,-2.40E-04,0.002635111,0,0,0.223649841,-0.019447812,0.039937472,-0.06320539,-0.069224951,-0.010165902,0.111824921,0,0,1.214869486,-0.105640825,0.21694098,-0.343332681,-0.376031031,-0.05522134,0.607434743,0,0,0.172839506,-0.083870102,0.049823633,-0.025899087,-0.035714286,-0.023849607,0.077160494,0,0,0.00334634,0.128958679,-0.365354752,-0.249629527,-0.010146883,0.436373409,0,0,-0.086956522,0.178571429,-0.282608696,-0.30952381,-0.045454545,0.5,0,0,-0.086956522,0.178571429,-0.282608696,-0.30952381,-0.045454545,0.5,0,0,-0.086956522,0.178571429,-0.282608696,-0.30952381,-0.045454545,0.5,0,0,-0.086956522,0.178571429,-0.282608696,-0.30952381,-0.045454545,0.5,0,0,-0.086956522,0.178571429,-0.282608696,-0.30952381,-0.045454545,0.5,0,0,-0.485248447,0.288265306,-0.14984472,-0.206632653,-0.137987013,0.446428571,0,0,1.367281663,1.100673576,1.726577575,1.141776942,0.708976255,0.004924526,0,0,1.5,0.924107143,1.5,1.300595238,0.784090909,0,0,0,1.5,0.924107143,1.5,1.300595238,0.784090909,0,0,0,1.5,0.924107143,1.5,1.300595238,0.784090909,0,0,0,1.5,0.924107143,1.5,1.300595238,0.784090909,0,0,0,1.5,0.924107143,1.5,1.300595238,0.784090909,0,0,0,1.982142857,0.542729592,1.299107143,1.290816327,1.008116883,0,0,0,29.9519137,14.97595685,21.1419228,29.9519137,3.743989212,14.97595777,-1.07E-14,0.093201439,0.01165018,-1.898393698,29.24729855,3.655912318,2.70062977,29.9519137,14.97595685,21.1419228,29.9519137,3.743989212,14.97595777,-1.07E-14,0.093201439,0.01165018,-1.898393698,29.24729855,3.655912318,2.70062977,29.9519137,14.97595685,21.1419228,29.9519137,3.743989212,14.97595777,-1.07E-14,0.093201439,0.01165018,-1.898393698,29.24729855,3.655912318,2.70062977,29.9519137,14.97595685,21.1419228,29.9519137,3.743989212,14.97595777,-1.07E-14,0.093201439,0.01165018,-1.898393698,29.24729855,3.655912318,2.70062977,29.9519137,14.97595685,21.1419228,29.9519137,3.743989212,14.97595777,-1.07E-14,0.093201439,0.01165018,-1.898393698,29.24729855,3.655912318,2.70062977,29.9519137,14.97595685,21.1419228,29.9519137,3.743989212,14.97595777,-1.07E-14,0.093201439,0.01165018,-1.898393698,29.24729855,3.655912318,2.70062977,36.86849545,18.35508106,26.85532019,36.74974545,4.593718182,18.35508109,-0.158333333,0.185443518,0.02318044,-1.348003945,24.71757382,3.089696728,2.566011585,0,11.89,12.11011416,-0.17134312,0.05119783,6.1625,8.955005645,7,23,22,22,6,1,1,0,0,1,17.491312,3.647315261,3.076082947,2.598503701,2.333552793,2.333552793,1.665348817,1.032963379,0.083923071,1.932787121,1.628756031,1.375964296,1.249629723,1.249629723,0.607548492,0.139465883,0.083923071,3.663785966,3.113498505,2.655823718,2.405454588,2.405454588,1.73956501,1.132120857,0.270913902,1.885422716,1.549587777,1.273175685,1.134540686,1.134540686,0.487361073,0.025591198,0.270913902,3.740825106,3.278955332,2.901102362,2.704236987,2.704236987,2.04622848,1.528057366,0.943918427,1.75713853,1.31197897,0.948392105,0.76031856,0.76031856,0.10350369,0.401518355,0.943918427,3.676162167,3.141145858,2.697759789,2.457539916,2.457539916,1.79324141,1.203223593,0.399277246,1.856231902,1.498689345,1.205754265,1.058262671,1.058262671,0.408472013,0.05472369,0.399277246,3.781180752,3.359415287,3.015361049,2.838982085,2.838982085,2.183801392,1.694727824,1.207644823,1.720574067,1.236994104,0.840211351,0.631337262,0.631337262,0.02832406,0.565548448,1.207644823,3.644982069,3.171136371,2.793847321,2.571572866,2.571572866,1.831363779,1.226325614,0.545454545,1.87413922,1.443701663,1.095476817,0.935209229,0.935209229,0.359238118,0.104900665,0.545454545,0,0,0,0,2,5,0,1,0,0,0,0,0,0,0,0,0,0,0,0.859116756,0,0.384900179,0,0.683012702,0,0.288675135,0,1.821367205,1.539600718,0.962250449,1.404700538,1.154700538,0.721687836,6.732050808,3.553418013,3.347150628,2.103133692,0.769800359,0,0,0,0.841506351,0.507631145,0.371905625,0.262891712,0.19245009,0,0,0,6.577350269,3.193375673,2.83771324,1.654700538,0.577350269,0,0,0,0.822168784,0.456196525,0.315301471,0.206837567,0.144337567,0,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,1.12E-17,1.40E-18,-31.22250001,3000010.529,375001.3161,11.93130108,43,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,4,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,1,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.976851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.777083333,1.161111111,0,0,0,0,0,0,0,0,0,0,10.96759259,0,0,0,0,0,0.722222222,0,0,2.976851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.458333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.243402778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.162037037,0,0,0,0,0,0.722222222,0,0,1.458333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.518518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290277778,0.290277778,0,0,0,0,0,0,0,0,0,0,2.224537037,0,0,0,0,0,0.722222222,0,0,1.518518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66666667,1.833333333,0.290277778,2.224537037,0.013888889,0.722222222,4.625208333,0.611111111,0.224537037,1.935185185,0.611111111,0.224537037,1.935185185,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.625,0.375,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,8.50671,1.06334,9.55523,1.04852,0.13107,2.95453,0.36932,3.5534,0.59886,0.07486,0.3606,0.04508,0.3606,0.04508,0,7,0,0,0,0,0,0,0.75,0.918295834,1.553508855,2.468546354,2.468546354,2.56408294,1.996867188,22.03910002,37.28421252,59.2451125,59.2451125,61.53799056,47.9248125,0.200284263,0.338826949,0.538400555,0.538400555,0.559237494,0.435525304,3.666666667,3.031453646,2.116416147,2.116416147,2.020879561,2.588095313,0.200284263,0.338826949,0.538400555,0.538400555,0.559237494,0.435525304,6.73287657,14.35543282,16.1936451,16.1936451,15.45174157,6.74821942,31.59900002,21.30576563,21.74047604,21.74047604,18.36292902,17.65589011,8,3.111111111,2.8125,8,2,5,2.34,1.1928,3.221970075,0,8.480997324,0,0,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.117,0.084,0.14,0.177,3.432,9,8,4,0,0,0,0,0,0,36,2.197224577,2.63905733,2.708050201,2.197224577,0,0,0,0,0,0,3.951243719,1.416666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,6,0.857142857,0,2,4,1,2.5,1.333333333,0.5,0,0,0,0,0,0,0,0.357142857,0.148148148,0.0625,0,0,0,0,0,0,0,0.567791005,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,1.12E-17,1.40E-18,-31.22250001,3000010.529,375001.3161,11.93130108,0,144.287877,4,3.496507561,4.204692619,4.976733742,5.713732806,6.487684018,7.229113878,8.004031508,8.746239288,9.521421538,73.38015696,2.708050201,0,3.931825633,0,5.332718793,0,6.801283034,0,8.297792626,8.554681636,112.1252005,4.671883355,14.33508904,1.79188613,0,0,0,65,8,3.402,32,1.218878147,2.10407079,3.055045719,3.741537785,4.425468799,4.886058059,0,0,0,0,75.26298518,90.39706334,113.3391498,68.45624439,22.91646515,4.964547695,0,0,0,0,281.2199207,356.7755241,508.7796325,419.6529617,276.4903252,151.87698,0,0,0,0,8.869136575,14.95492519,21.86216004,26.30348607,30.39528861,32.82680517,0,0,0,0,2.124308825,2.833587001,4.185563542,3.876651801,3.078577772,2.172404467,0,0,0,0,174.5837985,327.8615689,462.9046878,600.9630593,765.5421824,903.5183839,0,0,0,0,2.820252088,3.892384402,6.175254031,6.535265557,6.086262755,4.886058059,0,0,0,0,0.440182067,0.59386021,0.880977035,0.83244794,0.681693253,0.500332345,0,0,0,0,320.371503,135.2625237,8.439034335,59.62664317,-25.17468052,-3.177655256,260.7448599,160.4372042,11.61668959,0.843087016,0.355955746,0.022208093,0.156912984,-0.066249482,-0.008362291,121.7405772,51.39950826,3.206817403,22.65801387,-9.566331928,-1.207503107,0.080587248,0.181132674,1.757796412,0.956991558,379.9981462,0,1,0,447.8080964,21.16147671,7.65063202,608.2380812,24.66248327,8.472752803,784.3619961,28.00646347,9.222291549,1.278848635,1.079119807,474.1529379,329.0923757,194.798063,1.440789799,2.434074193,1.689402711,4.1822029,3.559961601,6.663897192,0.871901424,6.620667104,5.660462696,3.14966447,15.04456871,11.29573581,9.712751607,10.71590626,12.3307489,13.44301236,4.279209287,3.808678732,0.087727712,1.24E-05,4.36E-31,2.96E-78,3.87E-147,9.75E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0.55562903,5.631213232,0.122095053,6.236987251,3.01958439,0.665530831,3.278335726,1.034315677,0.674336655,0.034938451,0.051443603,6.18E-04,8.74E-08,3.07E-33,2.08E-80,2.72E-149,6.87E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,1.793632603,5.633167883,0.487860047,7.102254885,4.051387557,2.072120256,4.663484194,2.611536485,1.954576026,0.326400928,0.342785845,0.006438718,9.11E-07,3.20E-32,2.17E-79,2.84E-148,7.16E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,6.249369819,5.657251412,2.87508947,14.17547047,10.55646138,9.003179852,10.21352607,11.38142701,12.19218601,3.816003264,3.410415662,0.078163812,1.11E-05,3.89E-31,2.64E-78,3.45E-147,8.69E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,2.643483245,5.63570206,0.813837508,7.973126651,4.954924069,3.168386837,5.653841062,3.910592092,3.227172567,0.697175648,0.683995542,0.013985755,1.98E-06,6.96E-32,4.72E-79,6.17E-148,1.55E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,7.995413827,5.67396568,4.267605356,18.63703001,14.29705246,12.51677047,12.62942416,16.13833034,18.60692934,6.225169518,5.474300396,0.127942623,1.81E-05,6.36E-31,4.31E-78,5.64E-147,1.42E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,3.865846835,4.934792553,1.202692898,9.279502443,6.384332965,4.588237062,6.868200816,5.854036324,5.296087397,1.291727438,1.228433676,0.026100807,3.69E-06,1.30E-31,8.80E-79,1.15E-147,2.90E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,3.662372401,2.404386157,0.580369623,0.55097063,0.361718037,0.557968796,0.548893016,0.401470999,6.647128181,12.32671988,24.08444222,0.369033,1.508332811,2.713801537,1.515958006,0.223173304,0.609441379,0.340440348,0.306847003,0.218288502,0.059389426,4.452932847,5.05797858,10.42904845,0.42482259,0.584524931,3.090458505,1.868873937,0.365063571,0.58043363,0.351002054,0.397646442,0.331716408,0.158902048,5.324396013,7.586148965,15.01903438,0.397153526,0.888264897,3.638880361,2.382397176,0.571528551,0.551947124,0.36136315,0.550849922,0.538907097,0.389339241,6.592806087,12.11059032,23.65812503,0.369965412,1.47909626,3.258387349,2.026156628,0.428299038,0.570361787,0.354666953,0.441912853,0.389871438,0.218701843,5.712843015,8.865368225,17.40584283,0.38754311,1.050486134,3.735922125,2.473225919,0.608048111,0.548014468,0.362792248,0.580552452,0.580746469,0.440653017,6.817196155,13.01524017,25.45066676,0.366210074,1.601951937,3.643136952,2.386784776,0.571528235,0.551869206,0.361554626,0.552117181,0.540894651,0.389320745,6.601449964,12.14165434,23.71276167,0.370135749,1.482332577 +UMLYSI0137,L,3-methyl-1-cyclohexene,CC1CCCC=C1,cyclic alkenes,C7H12,591-48-0,11573,PubChem,,85,0,0.8244,0.67963536,30.6691,20.321516,0,0,19,7,12,0,7,0,0,0,0,0,0,0,0,0,1022.041615,1155.133903,1426.565288,1065.485069,384.545113,75.7764,6.096384,0,0,3337.623245,4341.457709,6098.843241,5743.896806,3172.618374,1039.939248,186.5024666,0,0,133.40518,138.195196,257.222816,344.092532,283.4641,136.36512,40.310784,0,0,24.85765486,32.88483172,49.47685225,51.56861575,32.61418149,12.23691512,2.667677429,0,0,3106.572317,2725.031065,5492.556811,7911.880653,6951.188559,3539.377519,1109.505912,0,0,32.52777778,39.16666667,63.91666667,78.5,56.66666667,23.5,6,0,0,53.79166395,60.79652121,39.62681356,21.74459324,9.379149098,3.78882,1.016064,0,0,175.6643813,228.4977741,169.4123122,117.2223838,77.38093595,51.99696242,31.08374443,0,0,7.021325263,7.273431368,7.145078222,7.022296571,6.913758537,6.818256,6.718464,0,0,1.308297624,1.730780617,1.374357007,1.05242073,0.795467841,0.611845756,0.444612905,0,0,163.5038062,143.4226876,152.5710225,161.4669521,169.5411844,176.9688759,184.917652,0,0,1.711988304,2.061403509,1.775462963,1.602040816,1.382113821,1.175,1,0,0,0.038990161,-0.00277958,-0.010230875,-0.01374254,-0.007056542,0.009974626,0.00433983,0,0,535.2391977,4.76E-13,-134.8158881,-239.7844777,-97.25524269,105.6393153,98.59669431,0,0,995.3001436,-8.53E-14,-250.6959008,-445.8894754,-180.8502767,196.4408178,183.3447633,0,0,0.104849684,1.51E-15,-0.026409507,-0.046972133,-0.019051634,0.020694017,0.019314416,0,0,4.449454733,4.16E-15,-1.12072732,-1.993333417,-0.808484883,0.878181855,0.819636398,0,0,24.16950873,7.99E-14,-6.087808589,-10.82781876,-4.391702714,4.770297775,4.452277924,0,0,2.631578947,-0.346491228,-0.06802093,-0.988457987,-0.70498615,0.403893506,0.388273315,0,0,0.002052114,-1.46E-04,-2.84E-04,-2.80E-04,-1.72E-04,4.99E-04,7.23E-04,0,0,28.17048409,2.51E-14,-3.744885782,-4.893560769,-2.37207909,5.281965767,16.43278239,0,0,52.38421809,-4.49E-15,-6.963775023,-9.099785212,-4.410982359,9.822040891,30.55746055,0,0,0.005518404,7.93E-17,-7.34E-04,-9.59E-04,-4.65E-04,0.001034701,0.003219069,0,0,0.234181828,2.19E-16,-0.031131314,-0.040680274,-0.019719143,0.043909093,0.136606066,0,0,1.272079407,4.21E-15,-0.169105794,-0.220975893,-0.1071147,0.238514889,0.742046321,0,0,0.138504155,-0.01823638,-0.00188947,-0.020172612,-0.017194784,0.020194675,0.064712219,0,0,-0.071289277,-0.138486948,-0.136668835,-0.083869999,0.243032974,0.352468294,0,0,8.89E-16,-0.132936508,-0.173712342,-0.084204413,0.1875,0.583333333,0,0,-8.57E-17,-0.132936508,-0.173712342,-0.084204413,0.1875,0.583333333,0,0,1.44E-14,-0.132936508,-0.173712342,-0.084204413,0.1875,0.583333333,0,0,9.36E-16,-0.132936508,-0.173712342,-0.084204413,0.1875,0.583333333,0,0,3.31E-15,-0.132936508,-0.173712342,-0.084204413,0.1875,0.583333333,0,0,-0.131666667,-0.013641975,-0.145646259,-0.124146341,0.145805556,0.467222222,0,0,1.266187484,1.155998707,1.165011412,0.987278092,0.38453976,0.011954702,0,0,1.285714286,1.244047619,1.121720117,0.893728223,0.508928571,0,0,0,1.285714286,1.244047619,1.121720117,0.893728223,0.508928571,0,0,0,1.285714286,1.244047619,1.121720117,0.893728223,0.508928571,0,0,0,1.285714286,1.244047619,1.121720117,0.893728223,0.508928571,0,0,0,1.285714286,1.244047619,1.121720117,0.893728223,0.508928571,0,0,0,1.4,1.010694444,1.176836735,0.998658537,0.47025,0,0,0,23.54710825,11.50195223,16.89240684,23.54710825,3.363872607,11.50199216,-5.33E-15,0.024442977,0.003491854,-2.597988644,38.95351231,5.564787473,2.56365826,23.54710825,11.50195223,16.89240684,23.54710825,3.363872607,11.50199216,-5.33E-15,0.024442977,0.003491854,-2.597988644,38.95351231,5.564787473,2.56365826,23.54710825,11.50195223,16.89240684,23.54710825,3.363872607,11.50199216,-5.33E-15,0.024442977,0.003491854,-2.597988644,38.95351231,5.564787473,2.56365826,23.54710825,11.50195223,16.89240684,23.54710825,3.363872607,11.50199216,-5.33E-15,0.024442977,0.003491854,-2.597988644,38.95351231,5.564787473,2.56365826,23.54710825,11.50195223,16.89240684,23.54710825,3.363872607,11.50199216,-5.33E-15,0.024442977,0.003491854,-2.597988644,38.95351231,5.564787473,2.56365826,23.54710825,11.50195223,16.89240684,23.54710825,3.363872607,11.50199216,-5.33E-15,0.024442977,0.003491854,-2.597988644,38.95351231,5.564787473,2.56365826,29.34002898,13.64934332,20.62099073,29.31366844,4.18766692,13.64934904,-0.18452381,0.005171158,7.39E-04,-3.685261074,71.11914852,10.15987836,2.985049633,0,11.8,12.20005101,-0.286391132,0.113683041,5.924745234,7.980006655,7,19,18,18,6,1,1,0,0,1,13.118484,3.657313458,2.90445804,2.766087319,2.153332411,1.314031512,1.135769239,0.694488565,0.083923071,1.978532077,1.495598159,1.289571258,1.029416411,0.583416448,0.42344593,0.238038766,0.083923071,3.678067222,2.943871317,2.800123383,2.220508673,1.419853995,1.242032604,0.836086689,0.270913902,1.929564555,1.410484921,1.211675781,0.917772534,0.434295453,0.271414266,0.068939061,0.270913902,3.770731652,3.119832224,2.952843073,2.503372076,1.850373042,1.677292084,1.381826029,0.943918427,1.789527478,1.155184722,0.983806268,0.557005711,0.071019735,0.242897653,0.522765599,0.943918427,3.693428277,2.973100598,2.825381363,2.269412755,1.496124374,1.318840498,0.936101408,0.399277246,1.898745849,1.355739222,1.162109569,0.84391688,0.33391709,0.169124366,0.046104422,0.399277246,3.816769312,3.206052119,3.028581482,2.632460642,2.037954383,1.8678553,1.60778593,1.207644823,1.747022977,1.075001623,0.9137407,0.433879231,0.252927137,0.427464912,0.745307072,1.207644823,3.721333362,3.032246626,2.882981094,2.356842003,1.588566841,1.423379116,1.103451711,0.591549296,1.884776449,1.288924807,1.061588117,0.721146501,0.204752951,0.036052992,0.229286133,0.591549296,0,0,0,2,0,1,3,1,0,0,0,0,0.102062073,0.102062073,0,0,0,0.068041382,0.068041382,0.288675135,0,0,0,0.23570226,0,0,0,0.40824829,0.433012702,0.40824829,0.30274943,0.31030122,0.272165527,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,4.853371151,3.060513517,2.336339894,1.494872375,0.982435434,0.622324466,0.136082763,0,0.693338736,0.437216217,0.292042487,0.186859047,0.122804429,0.077790558,0.068041382,0,10.25096682,18.32702112,17.35294118,17.56,11.79132695,144.9122251,0.53952457,0.964580059,0.913312693,0.924210526,0.620596155,7.626959218,2.28879,31.885,25.81164286,34.91599912,51.62328572,7.374755103,25.81164286,0.063309915,0.009044274,-1.931799329,26.80913824,3.829876892,2.302119966,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,1,0,3,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.594907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.589236111,0,0,1.310763889,0.580555556,0,0.589236111,0,0,0,0,0,0,0,0,2.273472222,0,4.10962963,0,4.594907407,0,0.855324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.28587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.243402778,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.273472222,0,1.309861111,0,2.28587963,0,0.855324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.309027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.290277778,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.273472222,0,1.400462963,0,2.309027778,0,0.855324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.69047619,0.300694444,2.309027778,0.243402778,0.855324074,4.613068287,0.478009259,0.309027778,1.736759259,0.478009259,0.309027778,1.736759259,3.5,0.5,0,0,0.44737,0.7,0.43333,0.43333,0.7,0.01404,0.01404,0,0,0.71429,0,0,0.14286,0.14286,0,4.5,0.64286,3.5,0.5,1,0.14286,-2.5,-0.35714,0,0,5.56109,0.79444,6.62679,1.0657,0.15224,2.87782,0.41112,3.39384,0.51602,0.07372,0.02016,0.00288,0.10616,0.01517,0.315789474,7,0,0,0,0,0,0,0.714285714,0.949452015,2.183754832,3.366091329,3.576617645,3.536886724,3.681880803,18.03958829,41.49134181,63.95573525,67.95573525,67.20084775,69.95573525,0.223509467,0.514075352,0.792407902,0.841967673,0.83261466,0.866747559,3.298475498,2.064172682,0.881836184,0.671309869,0.71104079,0.566046711,0.219682511,0.505273291,0.778840197,0.8275514,0.81835853,0.851907001,6.790838447,17.08973949,20.59546991,19.65057255,20.76760178,20.91373045,27.3155423,17.78709831,14.13567519,14.79335177,13.72766321,13.37360807,5.142857143,2.34375,1.5,0,2,0,2.23,0.9433,0,1.850535862,1,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.111,0.108,0.338,0.369,3.335,8,8,8,8,2,0,0,0,0,48,2.197224577,2.397895273,2.564949357,2.63905733,2.708050201,1.609437912,0,0,0,0,4.234106505,1.416666667,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,0,3,4,0.333333333,1,0.444444444,0.1875,0.111111111,0,0,0,0,0,0,0.142857143,0.055555556,0.0375,0.111111111,0,0,0,0,0,0,0.34702381,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,0,114.6354337,3.807354922,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,71.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.388905171,96.09390038,5.057573704,13.67682532,1.953832189,0,0,0,42,5,3.402,30,1.281051588,2.254817382,3.030303348,3.709319034,4.03914628,4.531285913,0,0,0,0,92.07727792,99.49020689,66.71773773,33.56231252,15.25802922,4.604076489,0,0,0,0,325.8807487,409.8368866,363.3529009,280.4388647,209.6796381,140.8493332,0,0,0,0,9.36305897,16.16945253,21.32141743,25.61795911,27.53829332,30.44328128,0,0,0,0,2.397154139,3.26546353,3.256398604,2.901013807,2.468586114,2.014668192,0,0,0,0,180.9041876,339.8715613,485.9495867,631.0344697,714.9338114,837.9147516,0,0,0,0,2.727231066,4.129762117,4.926749409,5.067724598,4.754905961,4.531285913,0,0,0,0,0.49429836,0.683734635,0.696225277,0.635415984,0.551989863,0.464003677,0,0,0,0,280.6845484,108.9118976,9.264796772,56.45032937,-21.90399339,-3.487050878,224.2342191,130.815891,12.75184765,0.832558619,0.32305141,0.02748098,0.167441381,-0.06497101,-0.010343192,94.62855094,36.7179993,3.123486128,19.03137489,-7.384600134,-1.175606472,0.147322444,0.225959549,3.66971756,2.337914495,337.1348778,0,1,0,423.2976476,20.57419859,7.508421046,539.9667052,23.23718368,8.143085483,691.3981169,26.29445031,8.842520272,1.382239201,1.255103735,253.5077578,178.2466084,156.0539468,1.422230471,1.624487961,1.142211473,3.541222395,3.820078341,5.51721948,0.444268674,3.510268705,4.159124453,2.631189657,14.89631073,10.69811237,11.64494145,9.560791032,5.05313339,2.060577001,0.970919373,7.54E-11,1.13E-42,3.27E-96,1.82E-171,1.96E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.294725731,3.218592821,0.301312327,4.942312756,4.029004235,1.492396956,0.489893236,0.122723818,0.014512909,0.006838265,5.31E-13,7.96E-45,2.30E-98,1.28E-173,1.38E-270,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.951086605,3.281441349,0.739363212,6.346910793,4.971233177,3.215406349,1.787335546,0.594735979,0.151234942,0.071259989,5.54E-12,8.30E-44,2.40E-97,1.34E-172,1.44E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.313415468,4.055862438,2.475280516,14.06504262,10.14157836,10.89982454,8.809447403,4.56224793,1.835937077,0.865071681,6.72E-11,1.01E-42,2.91E-96,1.62E-171,1.75E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.401657768,3.36292746,1.051213881,7.497359446,5.742476802,4.501924969,2.842519106,1.077428848,0.328502265,0.154786218,1.20E-11,1.80E-43,5.21E-97,2.91E-172,3.12E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.239127636,4.593327218,3.223524616,18.2260635,12.92704085,14.54409593,12.56525538,7.085312603,3.005157584,1.415994657,1.10E-10,1.65E-42,4.77E-96,2.66E-171,2.86E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.098951041,3.039277623,1.644458925,9.024695852,7.170353727,6.368937757,4.822762366,2.133735541,0.721059103,0.339754369,2.64E-11,3.96E-43,1.14E-96,6.38E-172,6.86E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.147551682,1.759101104,0.87293041,0.449317774,0.368044876,0.477260203,0.423590668,0.478251234,4.779583197,7.187996555,15.26530181,0.226043975,1.379102105,1.441514515,1.214650339,0.424112584,0.467982039,0.394331473,0.22027639,0.211388414,0.110007721,3.080277438,2.877449034,6.700320504,0.293470267,0.541672524,1.706934744,1.422004113,0.594246342,0.458460875,0.381932146,0.30405187,0.282602207,0.218497744,3.723185199,4.286628697,9.452209161,0.260589531,0.805151821,2.128523221,1.744650686,0.860958453,0.449612106,0.368525963,0.468912497,0.416906786,0.464981912,4.734132359,7.04817131,14.97949828,0.227207103,1.350801195,1.831515476,1.51795999,0.673405558,0.455274582,0.377331564,0.348745378,0.319552406,0.281868818,4.022881024,5.035722609,10.93078369,0.248909219,0.950166602,2.207661865,1.804704486,0.910720563,0.448430406,0.366579855,0.504141108,0.445058735,0.521384658,4.923086914,7.638321814,16.1898809,0.222515392,1.470584501,2.131014533,1.749147339,0.861791978,0.449395882,0.368866377,0.470100247,0.419911081,0.465492811,4.74195385,7.071350775,15.02559837,0.227393389,1.355504139 +UMLYSI0138,L,"1,2,4-trimethylcyclohexane",CC1CCC(C(C1)C)C,cyclic alkanes,C9H18,2234-75-5,91517,PubChem,,82.8,0,0.9738,0.94828644,39.3749,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,2106.57486,2021.920666,1141.35202,421.037737,93.979872,9.144576,0,4371.159516,5876.91121,8897.306245,10196.89575,7964.343121,4033.364857,1341.178331,279.7536999,0,188.796996,195.98202,384.63672,550.62244,625.114192,451.824868,183.793536,60.466176,0,33.10313229,45.14389758,72.20848416,88.89352217,78.15636024,44.39843551,16.01813686,4.001516144,0,4469.666941,3897.355064,8334.220529,12379.7691,15042.90601,11542.33476,4802.005979,1664.258868,0,42.08333333,51.02777778,84.69444444,120.6944444,126.1666667,82.5,33,9,0,48.76541633,56.15943233,39.01064556,25.92205982,12.68168911,6.379359652,3.480736,1.016064,0,161.8947969,217.6633782,164.7649305,130.7294327,88.49270135,61.11158874,49.67327153,31.08374443,0,6.992481333,7.258593333,7.122902222,7.059262051,6.945713244,6.845831333,6.807168,6.718464,0,1.226041937,1.671996207,1.337194151,1.139660541,0.868404003,0.672703568,0.593264328,0.444612905,0,165.54322,144.3464838,154.3374172,158.7149885,167.1434001,174.8838599,177.8520733,184.917652,0,1.558641975,1.889917695,1.568415638,1.547364672,1.401851852,1.25,1.222222222,1,0,0.035774736,-0.004474707,-3.52E-04,-0.014854912,-0.01512125,0.008060806,0.004024938,0.004830077,0,726.396054,6.89E-13,6.93E-13,-403.5533633,-363.198027,161.4213453,121.066009,121.066009,0,1350.764481,-6.39E-13,-6.75E-13,-750.4247115,-675.3822403,300.1698846,225.1274134,225.1274134,0,0.142296,2.05E-15,2.03E-15,-0.079053333,-0.071148,0.031621333,0.023716,0.023716,0,6.038545709,1.68E-14,1.67E-14,-3.354747616,-3.019272855,1.341899046,1.006424285,1.006424285,0,32.80147613,-1.98E-13,-1.97E-13,-18.22304229,-16.40073807,7.289216918,5.466912688,5.466912688,0,2.962962963,-1.333333333,0.435185185,-0.411522634,-1.024691358,0.58127572,-0.101851852,0.37345679,0,0.00132499,-1.66E-04,-6.52E-06,-1.90E-04,-1.68E-04,1.22E-04,1.49E-04,5.37E-04,0,26.90355756,2.55E-14,1.28E-14,-5.173761068,-4.035533633,2.44577796,4.483926259,13.45177878,0,50.0283141,-2.37E-14,-1.25E-14,-9.620829634,-7.504247115,4.548028554,8.33805235,25.01415705,0,0.005270222,7.59E-17,3.76E-17,-0.001013504,-7.91E-04,4.79E-04,8.78E-04,0.002635111,0,0.223649841,6.23E-16,3.08E-16,-0.043009585,-0.033547476,0.020331804,0.037274974,0.111824921,0,1.214869486,-7.34E-15,-3.65E-15,-0.233628747,-0.182230423,0.110442681,0.202478248,0.607434743,0,0.109739369,-0.049382716,0.008058985,-0.005275931,-0.01138546,0.008807208,-0.003772291,0.041495199,0,-0.125080081,-0.00492415,-0.14373509,-0.126803869,0.092176851,0.112507833,0.405040876,0,9.49E-16,4.77E-16,-0.192307692,-0.15,0.090909091,0.166666667,0.5,0,-4.73E-16,-2.50E-16,-0.192307692,-0.15,0.090909091,0.166666667,0.5,0,1.44E-14,7.14E-15,-0.192307692,-0.15,0.090909091,0.166666667,0.5,0,2.79E-15,1.38E-15,-0.192307692,-0.15,0.090909091,0.166666667,0.5,0,-6.04E-15,-3.01E-15,-0.192307692,-0.15,0.090909091,0.166666667,0.5,0,-0.45,0.0734375,-0.048076923,-0.10375,0.080255682,-0.034375,0.378125,0,1.570719345,1.082116933,1.228948011,1.058006254,0.652550768,0.592940917,1.65E-08,0,1.444444444,1.203703704,1.277777778,1.035185185,0.623737374,0.481481481,0,0,1.444444444,1.203703704,1.277777778,1.035185185,0.623737374,0.481481481,0,0,1.444444444,1.203703704,1.277777778,1.035185185,0.623737374,0.481481481,0,0,1.444444444,1.203703704,1.277777778,1.035185185,0.623737374,0.481481481,0,0,1.444444444,1.203703704,1.277777778,1.035185185,0.623737374,0.481481481,0,0,1.995138889,0.740277778,1.0515625,1.096875,0.758948864,0.975,0,0,38.33189522,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,-3.55E-15,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,38.33189522,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,-3.55E-15,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,38.33189522,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,-3.55E-15,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,38.33189522,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,-3.55E-15,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,38.33189522,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,-3.55E-15,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,38.33189522,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,-3.55E-15,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,46.0019026,22.86900686,32.68306569,45.79665569,5.088517299,22.86900686,-0.263888889,0.011931265,0.001325696,-3.985733706,39.52764968,4.391961075,3.309300377,0,11.89,12.11013444,-0.161883947,0.059292989,6.076143106,8.759332881,9,27,27,27,9,0,0,0,0,0,19.677726,3.692343094,3.111153377,2.910586584,2.491966121,2.228162312,1.888359015,1.293197769,1.016999831,2.025554051,1.624398772,1.507597489,1.297318073,1.122296208,0.873203622,0.540839862,0.377195559,3.714367331,3.144779676,2.950975494,2.552323956,2.297474018,1.965717227,1.397136819,1.132451016,1.975683879,1.548767931,1.422228425,1.192289103,1.009131631,0.750063592,0.393944648,0.219976496,3.811787904,3.295407213,3.129789259,2.8086968,2.587586062,2.287760743,1.819792765,1.598241094,1.831374797,1.325862984,1.165496808,0.857784143,0.642333563,0.348169673,0.103000863,0.317422958,3.730619117,3.169726474,2.980834872,2.596374262,2.347821619,2.021823684,1.472019226,1.215444133,1.944151858,1.500484016,1.367285652,1.123196853,0.934204221,0.668332448,0.295130444,0.113824519,3.859665742,3.369840593,3.216785994,2.927121813,2.719243076,2.432834875,2.004069614,1.799143569,1.78700034,1.256898942,1.084420877,0.745333283,0.516539854,0.209190496,0.281637788,0.512918933,3.706994019,3.242200096,3.064843146,2.752095718,2.485409433,2.124732094,1.573823068,1.325333559,1.954456694,1.415974167,1.275933994,0.944397598,0.768509969,0.531719765,0.154566123,0.036570631,0,0,0,0,0,3,3,3,0,0,0,0,0.068041382,0.204124145,0,0,0,0.068041382,0.204124145,0.760079655,0,0.166666667,0,0.760079655,0,0.166666667,0,1.478278096,1.558028605,2.075933094,1.478278096,1.558028605,2.075933094,6.853371151,4.198377303,3.872792013,2.860366219,1.816762979,1.33160016,0.504473335,0.068041382,0.761485683,0.466486367,0.322732668,0.220028171,0.139750998,0.095114297,0.072067619,0.068041382,6.853371151,4.198377303,3.872792013,2.860366219,1.816762979,1.33160016,0.504473335,0.068041382,0.761485683,0.466486367,0.322732668,0.220028171,0.139750998,0.095114297,0.072067619,0.068041382,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.0786,41.343,36.24670713,48.23696276,72.49341426,8.054823807,36.24670713,0.034470015,0.003830002,-3.030898907,80.37277837,8.930308707,3.948007987,67,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,7.152037037,0,4.383935185,0,0,0,2.964027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.377361111,0,1.459490741,0,0,0,0.980324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.389212963,0,1.463796296,0,0,0,0.996481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.5,1.611111111,0.2,2.389212963,0.2,0.980324074,6.462448565,0.353009259,0.389212963,2.304074074,0.353009259,0.389212963,2.304074074,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.33333,0.33333,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,10.41343,1.15705,10.41343,0,0,4.19836,0.46648,4.19836,0,0,0.21564,0.02396,0.30164,0.03352,0.222222222,9,0,0,0,0,0,0,1,0.918295834,1.446616668,2.623447687,3.003620372,3.276511689,3.355834261,24.79398752,39.05865003,70.83308754,81.09775004,88.4658156,90.60752505,0.193126721,0.304237833,0.551737067,0.631691154,0.689082904,0.705765228,3.836591668,3.308270835,2.131439816,1.75126713,1.478375813,1.399053241,0.193126721,0.304237833,0.551737067,0.631691154,0.689082904,0.705765228,6.73287657,13.07272657,16.50189266,17.69927539,17.97430209,18.36157335,35.54887502,26.03910002,23.8332514,21.58017408,20.84045497,19.97850325,7.111111111,2.722222222,1.704142012,0,0,0,2.45,1.2681,0.766309432,3.479380736,4.441492163,0,1.650963624,5.853800636,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0.003,0.125,0.124,0.16,0.203,3.937,12,13,13,14,7,1,0,0,0,78,2.302585093,2.564949357,2.63905733,2.63905733,2.708050201,2.079441542,0.693147181,0,0,0,4.369447852,1,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.333333333,0,3,5,0.666666667,2.5,1.333333333,0.5625,0.413333333,0,0,0,0,0,0,0.277777778,0.111111111,0.05625,0.103333333,0,0,0,0,0,0,0.548472222,19.16594761,27.34372995,38.33189522,4.259099469,19.16594763,0.023258625,0.002584292,-3.384971326,39.75439693,4.417155214,3.314448405,0,151.8638616,4.169925001,3.761200116,4.532599493,5.351858133,6.146329258,6.963189986,7.764296006,8.579416535,9.382695764,10.19694044,80.67852573,2.944438979,0,4.204692619,0,5.666426688,0,7.217443432,0,8.806723555,9.038602609,126.1408506,4.671883355,17.38201719,1.931335244,0,0,0,84,10,4.938,42,1.22699952,2.101630972,2.840238819,3.49035819,4.115963512,5.00809732,5.363830398,0,0,0,78.95148878,91.11723762,78.97458155,47.80761064,28.50346413,17.43290426,5.449994969,0,0,0,290.5400635,371.1463514,388.787801,321.293913,262.9894382,248.7764193,166.7279333,0,0,0,8.938429587,15.02120526,20.09851051,24.28045834,28.22348218,34.09099723,36.03670143,0,0,0,2.17886504,2.958404881,3.350345758,3.113871491,2.854104933,2.971188195,2.384828214,0,0,0,175.1121323,320.7291171,447.1681217,580.5617808,716.1870648,890.6975112,991.866923,0,0,0,2.362218352,3.387448363,4.473521501,4.967935765,5.269979306,6.121101571,5.363830398,0,0,0,0.45089223,0.619797973,0.711458912,0.674828803,0.630576096,0.665978551,0.549256233,0,0,0,328.4460507,150.515495,8.315569353,97.86820334,-44.84962154,-5.241575002,230.5778473,195.3651165,13.55714436,0.770431783,0.353062309,0.019505727,0.229568217,-0.105203195,-0.012295097,140.0212331,64.16690095,3.545045745,41.7226101,-19.12003295,-2.234558137,0.065203351,0.135969721,1.198660715,1.12888099,426.314254,0,1,0,620.8036052,24.91593075,8.530701456,795.1702547,28.19876335,9.264458536,1127.068646,33.57184305,10.40678996,1.450520005,1.450520005,436.4429157,334.4183774,202.7853414,1.305080537,2.15224095,1.649125006,3.925554801,4.044879394,6.288840458,0.554765877,5.020831515,7.454349673,11.74682904,13.10114814,20.10526751,11.80611298,14.75382903,11.01362749,10.23532752,1.423595462,2.970298503,0.011609476,1.09E-22,1.96E-64,6.85E-128,4.61E-213,5.981E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,0.4219314,6.526131582,0.761410327,5.933496736,2.193337405,1.77845177,2.138110388,0.643069395,0.340230257,0.049344093,0.020971772,8.18E-05,7.65E-25,1.38E-66,4.82E-130,3.25E-215,4.2E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,1.36066474,6.588157768,2.564143159,6.903192801,4.931372622,3.406546434,3.568085136,1.798852462,1.440116212,0.205498354,0.218135976,8.52E-04,7.97E-24,1.44E-65,5.03E-129,3.38E-214,4.39E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,4.739290068,7.352439744,10.9187847,12.48781014,18.68389329,11.04408165,13.57638326,10.038755,9.304121532,1.295470421,2.6465181,0.010343834,9.67E-23,1.75E-64,6.10E-128,4.11E-213,5.329E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,2.005075814,6.668577239,3.932196593,7.715351821,7.083572112,4.64852231,4.889740389,2.877622564,2.468295053,0.349618341,0.473693224,0.00185081,1.73E-23,3.13E-65,1.09E-128,7.35E-214,9.535E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,6.063252857,7.882866992,14.98929134,15.57023921,25.7367837,14.79577968,19.57336468,15.00917957,14.05267142,1.947937108,4.331732527,0.016931329,1.58E-22,2.86E-64,9.99E-128,6.72E-213,8.7227E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,3.331366715,6.124293858,6.455003502,9.20925574,11.05311429,7.203324135,8.265153368,5.744189697,5.196264407,0.74547378,1.144583435,0.004472616,4.18E-23,7.56E-65,2.64E-128,1.78E-213,2.3043E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,3.069862231,1.788559275,0.879265371,0.535034814,0.311721311,0.509235924,0.56899666,0.468303782,5.737686877,9.762472353,20.32788055,0.302552221,1.546536366,2.251611658,1.209649669,0.402263491,0.582786902,0.313094836,0.273373051,0.257874187,0.098965292,3.863524819,4.116000363,9.075154685,0.374180352,0.63021253,2.576002246,1.439386401,0.592492508,0.559042684,0.312374897,0.35801811,0.36669987,0.214354388,4.607881155,6.086950291,12.89171226,0.338564025,0.939072369,3.049550758,1.77420851,0.867528637,0.535827885,0.311741128,0.502482583,0.559804146,0.456078387,5.691287905,9.595288208,19.98037355,0.303741827,1.518365116,2.720867095,1.541869726,0.67693459,0.550819451,0.31214014,0.39957205,0.421456377,0.279310338,4.939671411,7.080816606,14.86037931,0.326229177,1.100338765,3.133466565,1.833493531,0.915989574,0.532635283,0.311662284,0.530680705,0.598267124,0.507544987,5.88294967,10.29487434,21.44035877,0.298952925,1.636492815,3.064786581,1.778389115,0.869115648,0.536524907,0.311326753,0.507449986,0.562358959,0.457378632,5.712291345,9.659662883,20.10896747,0.30478736,1.527187577 +UMLYSI0139,L,cyclopentene,C1CC=CC1,aliphatic,C5H8,142-29-0,8882,PubChem,,80.5,0,0.691,0.477481,22.1338,14.134344,0,0,13,5,8,0,5,0,0,0,0,0,0,0,0,0,729.449117,818.177309,918.082205,206.92224,12.192768,0,0,0,0,2366.254464,3035.47744,4046.621604,2239.87454,373.0049332,0,0,0,0,91.450292,94.643636,171.740084,201.222144,80.621568,0,0,0,0,17.50140324,22.85285448,33.09504767,23.59667672,5.335354858,0,0,0,0,2113.312997,1858.952162,3638.6855,4853.89024,2219.011824,0,0,0,0,22.75,27.5,44.25,41,12,0,0,0,0,56.11147054,62.93671608,38.25342521,7.135249655,1.016064,0,0,0,0,182.0195742,233.4982646,168.6092335,77.23705309,31.08374443,0,0,0,0,7.034637846,7.280279692,7.155836833,6.938694621,6.718464,0,0,0,0,1.346261788,1.757911883,1.37896032,0.813678508,0.444612905,0,0,0,0,162.5625382,142.9963202,151.6118958,167.3755255,184.917652,0,0,0,0,1.75,2.115384615,1.84375,1.413793103,1,0,0,0,0,0.031695836,2.29E-04,-0.016160245,-0.016864274,0.016947218,0,0,0,0,372.5107969,2.13E-14,-175.5098947,-225.6555789,214.9100751,0,0,0,0,692.6997337,2.42E-13,-326.3681437,-419.6161848,399.6344617,0,0,0,0,0.072972308,5.43E-16,-0.034381183,-0.044204379,0.042099408,0,0,0,0,3.096690107,-1.17E-15,-1.459017454,-1.875879584,1.786551985,0,0,0,0,16.82126981,3.15E-14,-7.925405968,-10.18980767,9.704578737,0,0,0,0,1.807692308,0.211538462,-0.856508876,-1.128698225,0.869822485,0,0,0,0,0.002438141,1.76E-05,-6.73E-04,-5.82E-04,0.001412268,0,0,0,0,28.65467669,1.64E-15,-7.312912279,-7.781226859,17.90917293,0,0,0,0,53.2845949,1.86E-14,-13.59867266,-14.46952361,33.30287181,0,0,0,0,0.005613254,4.18E-17,-0.001432549,-0.001524289,0.003508284,0,0,0,0,0.238206931,-8.97E-17,-0.060792394,-0.064685503,0.148879332,0,0,0,0,1.293943832,2.43E-15,-0.330225249,-0.351372678,0.808714895,0,0,0,0,0.139053254,0.016272189,-0.03568787,-0.038920628,0.072485207,0,0,0,0,0.007237003,-0.276170852,-0.238512299,0.579239673,0,0,0,0,5.72E-17,-0.255208333,-0.271551724,0.625,0,0,0,0,3.49E-16,-0.255208333,-0.271551724,0.625,0,0,0,0,7.44E-15,-0.255208333,-0.271551724,0.625,0,0,0,0,-3.76E-16,-0.255208333,-0.271551724,0.625,0,0,0,0,1.87E-15,-0.255208333,-0.271551724,0.625,0,0,0,0,0.117021277,-0.256648936,-0.279897285,0.521276596,0,0,0,0,1.102152261,1.285721545,1.090524023,0.099125573,0,0,0,0,1.2,1.3,1.075862069,0,0,0,0,0,1.2,1.3,1.075862069,0,0,0,0,0,1.2,1.3,1.075862069,0,0,0,0,0,1.2,1.3,1.075862069,0,0,0,0,0,1.2,1.3,1.075862069,0,0,0,0,0,1.021276596,1.313829787,1.144534116,0,0,0,0,0,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,10.83457442,5.417287212,8.130465975,10.83457442,2.166914885,5.4292179,1.78E-15,0.102804754,0.020560951,-1.137461842,16.36037378,3.272074757,1.397431089,11.83033946,5.865169728,8.879772264,11.77033946,2.354067891,5.873442411,-0.1,0.177576857,0.035515371,-0.864175883,31.27150805,6.254301611,1.721353699,0,11.9,12.10006119,-0.164711685,0.042369812,6.16983725,6.412469435,5,13,12,12,4,1,1,0,0,1,8.745656,3.620859225,2.457043703,2.327176487,1.172599198,0.757912782,0.083923071,0.083923071,0.083923071,1.68994998,1.654416234,0.677040456,0.635465568,0.259103803,0.083923071,0.083923071,0.083923071,3.64248339,2.497756349,2.379581864,1.290331218,0.892820568,0.270913902,0.270913902,0.270913902,1.621062059,1.600960531,0.54382766,0.490847486,0.091706145,0.270913902,0.270913902,0.270913902,3.738694411,2.681331202,2.611518213,1.756775348,1.420292581,0.943918427,0.943918427,0.943918427,1.450772367,1.416054141,0.107415136,0.007199954,0.492421976,0.943918427,0.943918427,0.943918427,3.658471199,2.528052663,2.41837923,1.374324936,0.988683955,0.399277246,0.399277246,0.399277246,1.576960957,1.567535916,0.45518634,0.393916432,0.022073891,0.399277246,0.399277246,0.399277246,3.78628053,2.772175182,2.723231627,1.955311318,1.641104289,1.207644823,1.207644823,1.207644823,1.406175444,1.351583295,0.042915611,0.163649465,0.711314831,1.207644823,1.207644823,1.207644823,3.703950215,2.599250803,2.434751473,1.477157836,1.168651885,0.588235294,0.588235294,0.588235294,1.590512755,1.45905695,0.323265853,0.27704188,0.207291696,0.588235294,0.588235294,0.588235294,0,0,0,2,0,0,3,0,0,0,0,0.176776695,0,0,0,0,0.11785113,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.535533906,2.5,1.767766953,1.25,0.883883476,0,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0,0,0,3.276020882,2.149829914,1.402308181,0.90824829,0.589255651,0,0,0,0.655204176,0.429965983,0.280461636,0.181649658,0.11785113,0,0,0,7.167311215,12.55134741,11.90196078,12.04,8.194217964,98.85571497,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,1.65269,22.721,14,18.61803399,28,5.6,14.000001,1.11E-16,2.22E-17,-18.36840028,19.22543377,3.845086753,1.478117039,20,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,3,2,0,2,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.663888889,0,0,0.836111111,0.580555556,0,0.663888889,0,0,0,0,0,0,0,0,0,0,4.027777778,0,4.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331944444,0,0,0.255555556,0.290277778,0,0.331944444,0,0,0,0,0,0,0,0,0,0,1.319444444,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331944444,0,0,0.290277778,0.290277778,0,0.331944444,0,0,0,0,0,0,0,0,0,0,1.388888889,0,2.236111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.5,1.7,0.331944444,2.236111111,0.255555556,1.319444444,3.193611111,0.180555556,0.236111111,0.944444444,0.180555556,0.236111111,0.944444444,2.5,0.5,0,0,0.45385,0.7,0.43333,0.43333,0.7,0.02051,0.02051,0,0,0.71429,0,0,0,0,0,3.5,0.7,2.5,0.5,1,0.2,-1.5,-0.3,0,0,2.91421,0.58284,3.75,0.83579,0.16716,1.95711,0.39142,2.5,0.54289,0.10858,-0.086,-0.0172,0,0,0.384615385,5,0,0,0,0,0,0,0.6,0.961236605,2.045841641,2.469670487,2.469670487,2.469670487,2.469670487,12.49607586,26.59594133,32.10571634,32.10571634,32.10571634,32.10571634,0.259762806,0.552864469,0.667399195,0.667399195,0.667399195,0.667399195,2.739203113,1.654598077,1.230769231,1.230769231,1.230769231,1.230769231,0.252468347,0.537339356,0.648657805,0.648657805,0.648657805,0.648657805,6.796774065,14.32421229,14.75135761,14.75135761,14.75135761,14.75135761,19.35422196,15.59866796,15.43340754,15.43340754,15.43340754,15.43340754,3.2,1.44,0.64,0,2,0,2.01,0.6615,0,0,0,0,7.071067812,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.093,0.088,0.377,0.384,2.565,5,5,5,0,0,0,0,0,0,25,1.945910149,2.079441542,2.197224577,2.302585093,0,0,0,0,0,0,3.583518938,1.4,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,8.618033989,12,2.4,6.006204681,0,0,0,13.96759521,2.793519041,1.318370009,0,80.04346443,3.321928095,3.044522438,3.713572067,4.394449155,5.081404365,5.771441123,6.463029457,7.155396302,7.848153086,8.541105011,62.013073,2.397895273,0,3.433987204,2.397895273,4.615120517,4.262679877,5.860786223,5.888877958,7.147559271,7.6989362,68.06260026,5.235584635,9.6875,1.9375,0,0,0,15,0,2.329,20,1.307421772,2.338722016,3.174417217,4.228503302,0,0,0,0,0,0,98.3406332,97.29960195,24.08891716,4.296429979,0,0,0,0,0,0,342.7945308,416.3991437,256.033555,131.437716,0,0,0,0,0,0,9.569772486,16.78427923,22.07808923,28.40904721,0,0,0,0,0,0,2.501871769,3.358755992,2.669724635,1.880047136,0,0,0,0,0,0,183.7578818,351.0896017,527.1954892,781.9249021,0,0,0,0,0,0,2.861522469,4.380867935,4.569784245,4.228503302,0,0,0,0,0,0,0.515132439,0.704522243,0.583901927,0.432998738,0,0,0,0,0,0,273.8488355,79.68637153,9.618153015,190.9562117,-55.56571968,-9.87138648,82.89262386,135.2520912,19.48953949,0.589169238,0.171440418,0.020692876,0.410830762,-0.119546292,-0.021237692,127.2863209,37.03862768,4.470566066,88.75741097,-25.82722696,-4.588270259,0.195526966,0.302151885,5.718254113,11.65928446,464.8050472,0,1,0,293.7345153,17.13868476,6.647397669,371.6554286,19.27836685,7.189745101,402.18915,20.05465407,7.381480046,1.151022885,1.012539233,151.2400741,84.78170838,76.46624545,1.783876227,1.977867139,1.108746845,3.028578014,3.430406433,4.581102973,0.335440294,2.394536895,1.716704967,5.562929419,7.8741723,3.60744996,7.595450386,5.385121388,2.949763906,3.20E-08,2.25E-37,3.71E-88,1.22E-160,7.79E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.200971372,1.716578428,1.666144685,0.803103081,0.269415205,0.531285181,0.056167488,0.020775428,2.26E-10,1.58E-39,2.61E-90,8.59E-163,5.49E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.64872486,1.71658715,2.446919965,1.601561867,0.851052844,1.784997494,0.442098598,0.216495982,2.35E-09,1.65E-38,2.72E-89,8.96E-162,5.72E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.260248386,1.716691169,5.319191351,7.213143246,3.36781796,7.096396156,4.810605277,2.628186534,2.85E-08,2.00E-37,3.30E-88,1.09E-160,6.94E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.956093593,1.716598217,2.9872451,2.341162119,1.279939687,2.701522385,0.915413683,0.470258202,5.11E-09,3.58E-38,5.91E-89,1.95E-161,1.24E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.891746802,1.716762928,6.471262938,10.5807049,4.534757075,9.518832765,7.794200805,4.301953433,4.67E-08,3.28E-37,5.41E-88,1.78E-160,1.14E-254,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.367613753,1.802875767,3.925140017,3.527280786,2.252042725,4.30231823,1.9044102,1.020679552,1.11E-08,7.78E-38,1.28E-88,4.22E-161,2.70E-255,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.815087021,1.764702996,0.381422245,0.458215036,0.445495692,0.459690922,0.574946159,0.460235192,3.961212262,4.568501049,9.751442901,0.355566092,1.494872273,1.179457438,1.049852074,0.07347322,0.512187894,0.455905831,0.19186788,0.201457431,0.017079103,2.302782732,1.402050385,3.795811761,0.452140587,0.410404414,1.414635865,1.314666435,0.187486239,0.484997745,0.450723944,0.276172504,0.316153337,0.111206184,2.916788539,2.371480913,5.636951538,0.403582535,0.703532025,1.797470513,1.744962214,0.372903696,0.459084564,0.445673635,0.450165316,0.561526116,0.439908159,3.915336424,4.457504385,9.542460012,0.357137297,1.451599591,1.5264102,1.440448135,0.241655959,0.475737385,0.448945525,0.321815471,0.379873121,0.184747357,3.208514294,2.915673721,6.655520529,0.387024366,0.886435949,1.870963793,1.827238939,0.408423788,0.455596287,0.444948897,0.491514656,0.61938656,0.527700138,4.106626519,4.929131862,10.43203592,0.350817775,1.638601354,1.800889577,1.744139754,0.37362662,0.459568178,0.445086217,0.451196602,0.5603276,0.441611128,3.91865595,4.465520428,9.55773875,0.356981594,1.453135329 +UMLYSI0140,L,cycloheptene,C1CCC=CCC1,cyclic alkenes,C7H12,628-92-2,12363,PubChem,,79,0,0.115,0.013225,27.957,20.321516,0,0,19,7,12,0,7,0,0,0,0,0,0,0,0,0,1022.041615,1155.133903,1305.499279,1321.756303,310.891392,20.32128,0,0,0,3337.623245,4341.457709,5873.715827,6371.055738,3375.353682,621.6748886,0,0,0,133.40518,138.195196,257.1991,364.694524,305.192448,134.36928,0,0,0,24.85765486,32.88483172,48.47042796,55.58423444,35.61732154,8.892258097,0,0,0,3106.572317,2725.031065,5487.089898,8445.77233,7373.294186,3698.35304,0,0,0,31.25,38,62.75,79.75,60,20,0,0,0,53.79166395,60.79652121,36.26386886,25.41839044,7.065713455,1.016064,0,0,0,175.6643813,228.4977741,163.158773,122.5203027,76.71258367,31.08374443,0,0,0,7.021325263,7.273431368,7.144419444,7.013356231,6.936192,6.718464,0,0,0,1.308297624,1.730780617,1.346400777,1.068927585,0.80948458,0.444612905,0,0,0,163.5038062,143.4226876,152.4191638,162.4186987,167.5748679,184.917652,0,0,0,1.644736842,2,1.743055556,1.533653846,1.363636364,1,0,0,0,0.040097785,1.14E-04,-0.020517919,-1.75E-04,-0.021988124,0.022517856,0,0,0,535.2391977,4.90E-13,-255.8818971,7.042621022,-347.4359704,328.6556477,0,0,0,995.3001436,-5.68E-14,-475.8233143,13.09605452,-646.0720231,611.149211,0,0,0,0.104849684,1.51E-15,-0.050125507,0.001379601,-0.068060321,0.064381385,0,0,0,4.449454733,4.05E-15,-2.127151605,0.058545457,-2.888242546,2.732121327,0,0,0,24.16950873,7.99E-14,-11.55472128,0.318019852,-15.68897935,14.84092641,0,0,0,2.184210526,0.276315789,-0.914819945,-0.254155125,-1.32132964,1.121883657,0,0,0,0.00211041,6.01E-06,-5.70E-04,-3.36E-06,-5.00E-04,0.001125893,0,0,0,28.17048409,2.58E-14,-7.107830476,0.13543502,-7.896272055,16.43278239,0,0,0,52.38421809,-2.99E-15,-13.21731429,0.251847202,-14.68345507,30.55746055,0,0,0,0.005518404,7.95E-17,-0.001392375,2.65E-05,-0.001546825,0.003219069,0,0,0,0.234181828,2.13E-16,-0.059087545,0.001125874,-0.065641876,0.136606066,0,0,0,1.272079407,4.21E-15,-0.32096448,0.006115766,-0.356567712,0.742046321,0,0,0,0.114958449,0.014542936,-0.025411665,-0.004887599,-0.030030219,0.056094183,0,0,0,0.002845922,-0.270062335,-0.00159303,-0.236792926,0.533494893,0,0,0,9.16E-16,-0.252314815,0.004807692,-0.28030303,0.583333333,0,0,0,-5.71E-17,-0.252314815,0.004807692,-0.28030303,0.583333333,0,0,0,1.44E-14,-0.252314815,0.004807692,-0.28030303,0.583333333,0,0,0,9.11E-16,-0.252314815,0.004807692,-0.28030303,0.583333333,0,0,0,3.31E-15,-0.252314815,0.004807692,-0.28030303,0.583333333,0,0,0,0.126506024,-0.22105087,-0.042516219,-0.261226725,0.487951807,0,0,0,1.194099278,1.332058466,0.964044377,1.103666209,0.083319407,0,0,0,1.285714286,1.357142857,0.93956044,1.11038961,0,0,0,0,1.285714286,1.357142857,0.93956044,1.11038961,0,0,0,0,1.285714286,1.357142857,0.93956044,1.11038961,0,0,0,0,1.285714286,1.357142857,0.93956044,1.11038961,0,0,0,0,1.285714286,1.357142857,0.93956044,1.11038961,0,0,0,0,1.084337349,1.31626506,1.030120482,1.123767798,0,0,0,0,22.31849682,11.15924841,16.27824842,22.31849682,3.188356689,11.15930192,0,0.083218875,0.011888411,-1.740396766,23.62298504,3.374712149,2.213554126,22.31849682,11.15924841,16.27824842,22.31849682,3.188356689,11.15930192,0,0.083218875,0.011888411,-1.740396766,23.62298504,3.374712149,2.213554126,22.31849682,11.15924841,16.27824842,22.31849682,3.188356689,11.15930192,0,0.083218875,0.011888411,-1.740396766,23.62298504,3.374712149,2.213554126,22.31849682,11.15924841,16.27824842,22.31849682,3.188356689,11.15930192,0,0.083218875,0.011888411,-1.740396766,23.62298504,3.374712149,2.213554126,22.31849682,11.15924841,16.27824842,22.31849682,3.188356689,11.15930192,0,0.083218875,0.011888411,-1.740396766,23.62298504,3.374712149,2.213554126,22.31849682,11.15924841,16.27824842,22.31849682,3.188356689,11.15930192,0,0.083218875,0.011888411,-1.740396766,23.62298504,3.374712149,2.213554126,24.0976643,11.94864498,17.76448717,24.04664389,3.435234841,11.94867201,-0.119047619,0.173343904,0.024763415,-1.226734441,20.79250793,2.970358275,2.124214908,0,11.9,12.10010405,-0.142459059,0.058179804,6.934514166,7.151670524,7,19,18,18,6,1,1,0,0,1,13.118484,3.608379472,2.970705279,2.894993742,1.726243318,1.610560234,1.115969468,0.749387631,0.083923071,1.828419532,1.801692734,1.038738296,1.036864364,0.578828861,0.544088849,0.260145014,0.083923071,3.631373016,3.00143231,2.933448587,1.802685597,1.696569327,1.239642959,0.885926273,0.270913902,1.76528633,1.749152723,0.936930927,0.929112123,0.431332393,0.389897763,0.092968496,0.270913902,3.733520643,3.138806053,3.103232362,2.129681667,2.05993379,1.724256037,1.417119124,0.943918427,1.599728621,1.577697024,0.6317141,0.586762676,0.068699163,0.138242809,0.489839761,0.943918427,3.648367164,3.024203115,2.961848051,1.858726113,1.759388377,1.327498258,0.982734603,0.399277246,1.724913337,1.716145595,0.872166518,0.857446097,0.332040744,0.285743114,0.020630443,0.399277246,3.783903387,3.206768495,3.185667663,2.280081432,2.224432714,1.928535654,1.638753615,1.207644823,1.554737366,1.518640623,0.534338338,0.475010365,0.248942618,0.331275218,0.707879656,1.207644823,3.707358343,3.09681888,2.962267347,1.951528587,1.849618323,1.455898108,1.186388164,0.608695652,1.723955035,1.620595678,0.776468926,0.745997315,0.176329187,0.134572568,0.228910521,0.608695652,0,0,0,2,0,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.949747468,3.5,2.474873734,1.75,1.237436867,0.875,0.618718434,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0.088388348,0,4.690234444,3.149829914,2.109414962,1.40824829,0.936856351,0.620790812,0.412478956,0,0.670033492,0.449975702,0.301344995,0.201178327,0.133836622,0.088684402,0.058925565,0,10.25096682,18.32702112,17.35294118,17.56,11.79132695,144.9122251,0.53952457,0.964580059,0.913312693,0.924210526,0.620596155,7.626959218,2.43289,31.955,30,36.69202147,60,8.571428571,30,1.00E-16,1.43E-17,-25.78731353,175.0832053,25.01188648,3.615682924,42,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,0,0,5,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.597222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.601388889,0,0,1.298611111,0.580555556,0,0.601388889,0,0,0,0,0,0,0,0,0,0,6.902777778,0,4.597222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.298611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.23125,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,0,0,1.319444444,0,2.298611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.298611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.290277778,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,0,0,1.4375,0,2.298611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.5,1.642857143,0.300694444,2.298611111,0.23125,1.319444444,4.614361111,0.180555556,0.298611111,1.194444444,0.180555556,0.298611111,1.194444444,3.5,0.5,0,0,0.44737,0.7,0.43333,0.43333,0.7,0.01404,0.01404,0,0,0.71429,0,0,0,0,0,4.5,0.64286,3.5,0.5,1,0.14286,-2.5,-0.35714,0,0,5.38562,0.76937,6.41667,1.03105,0.14729,2.95711,0.42244,3.5,0.54289,0.07756,-0.086,-0.01229,0,0,0.368421053,7,0,0,0,0,0,0,0.714285714,0.949452015,1.933497595,2.589518303,2.879506461,2.879506461,2.879506461,18.03958829,36.7364543,49.20084775,54.71062276,54.71062276,54.71062276,0.223509467,0.455162568,0.60959569,0.677861487,0.677861487,0.677861487,3.298475498,2.314429918,1.658409211,1.368421053,1.368421053,1.368421053,0.219682511,0.447369219,0.599158118,0.66625506,0.66625506,0.66625506,6.790838447,14.08665265,16.34160703,16.63386435,16.63386435,16.63386435,27.3155423,21.3311728,19.37703351,18.80291824,18.80291824,18.80291824,5.142857143,3.06122449,1.959183673,0,2,0,2.23,0.9433,0,0,0,0,11.55674537,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.093,0.088,0.377,0.384,3.563,7,7,7,7,7,0,0,0,0,49,2.197224577,2.302585093,2.397895273,2.48490665,2.564949357,2.63905733,0,0,0,0,4.262679877,1.428571429,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,17.04891734,24,3.428571429,12.00002171,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,0,114.6354337,3.807354922,3.36729583,4.043051268,4.727387819,5.416100402,6.107022888,6.799055862,7.491645474,8.184513753,8.877521454,69.01359475,2.708050201,0,3.761200116,0,4.94875989,2.708050201,6.196444128,4.844187086,7.475905969,7.862497197,96.09390038,5.057573704,13.890625,1.984375,0,0,0,42,7,3.467,28,1.243266607,2.155383097,2.848369068,3.490303182,4.176094681,0,0,0,0,0,86.62626079,84.59685806,75.40755476,25.24960761,4.243179466,0,0,0,0,0,309.8781705,369.4126641,359.5480946,272.1860487,129.8086598,0,0,0,0,0,9.078140713,15.43661554,20.0085464,24.23057975,28.05694177,0,0,0,0,0,2.291775604,3.008369531,3.115209256,2.860818136,1.856745587,0,0,0,0,0,176.1132652,325.8515394,460.2154015,583.2010905,772.233623,0,0,0,0,0,2.570392784,3.835189927,4.430551098,4.79852014,4.176094681,0,0,0,0,0,0.473044308,0.632149085,0.663098784,0.626666701,0.427632095,0,0,0,0,0,254.8902402,101.2168643,8.768734922,35.19104098,-13.97435547,-2.354251698,219.6991992,115.1912198,11.12298662,0.878685585,0.348925873,0.030228545,0.121314415,-0.04817393,-0.008115835,73.93888741,29.36111768,2.54364586,10.20826225,-4.053698937,-0.682924349,0.143277914,0.221434656,3.923965947,2.040399649,290.0812811,0,1,0,470.0151547,21.6798329,7.775063662,586.6842123,24.22156502,8.371465025,761.6474732,27.5979614,9.132394599,1.408695674,1.408695674,244.3148236,150.5146965,138.0848063,1.623195803,1.769309964,1.09001635,3.352620718,3.892096001,5.168959834,0.328065863,3.510159364,5.242184271,5.721654336,10.68110042,10.51544192,7.672739117,11.48879461,2.000058851,4.097553092,2.60E-05,1.19E-30,1.21E-77,2.53E-146,1.04E-236,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.29461639,5.241970887,0.387313695,2.559521884,3.012578434,0.328227918,0.669459268,0.014134218,0.028859401,1.83E-07,8.39E-33,8.53E-80,1.78E-148,7.35E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.950977264,5.24198557,1.311461035,3.614679612,3.899838731,1.26743626,2.355292668,0.146915399,0.300737214,1.91E-06,8.74E-32,8.89E-79,1.86E-147,7.66E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.313306127,5.242160993,5.336822542,9.970712815,9.828213308,7.025017054,10.64155573,1.782049231,3.650846035,2.32E-05,1.06E-30,1.08E-77,2.25E-146,9.30E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.401548427,5.242004223,1.994763628,4.517945516,4.700201548,2.07843794,3.667742212,0.319002649,0.653241415,4.15E-06,1.90E-31,1.93E-78,4.03E-147,1.66E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.239018295,5.242282055,7.212671377,13.55340766,13.31871332,10.29588591,14.83566403,2.916742479,5.975896091,3.79E-05,1.74E-30,1.77E-77,3.69E-146,1.52E-236,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.084450024,4.934515605,3.097611204,6.274304192,6.242762884,3.817276685,6.011390099,0.741243196,1.518186023,9.64E-06,4.41E-31,4.49E-78,9.37E-147,3.87E-237,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.832469045,1.78116662,0.665827148,0.428200717,0.416212664,0.487240128,0.41546129,0.3995438,4.279462813,5.669989423,12.12266723,0.266620072,1.302245219,1.349945044,1.206456393,0.230550835,0.484380396,0.43289453,0.243787429,0.211261516,0.047779959,2.786952272,2.218030316,5.380469167,0.375912388,0.502828905,1.512523122,1.443190799,0.395908132,0.451280931,0.430594732,0.303153914,0.30236808,0.141097721,3.351622053,3.35305063,7.568884492,0.322813495,0.746619715,1.815743031,1.769540078,0.654259958,0.428287436,0.417389339,0.478388516,0.410338266,0.38577201,4.239543067,5.558737241,11.90043722,0.268515163,1.274498793,1.588656773,1.553480437,0.472709502,0.43948109,0.429750017,0.333291716,0.350536725,0.201243445,3.614846711,3.953265332,8.734734142,0.303846661,0.885071886,1.885292136,1.817889252,0.702321609,0.427940269,0.412640566,0.515737724,0.431952965,0.444574006,4.405502997,6.028076622,12.84061298,0.260871253,1.392264696,1.815448645,1.77645978,0.655311494,0.427443994,0.418264138,0.47825582,0.413628853,0.387020985,4.247219919,5.578890377,11.93953672,0.268562198,1.278905658 +UMLYSI0141,L,cyclooctene,C1CCC/C=C\CC1,cyclic alkenes,C8H14,931-88-4,638079,PubChem,,78,0,-0.173,0.029929,30.8686,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1323.6122,1499.207816,1518.513032,940.440484,193.884768,12.192768,0,0,3823.307636,4994.447843,6787.262939,7377.854083,5652.702732,2352.322496,373.0049332,0,0,154.382624,159.970976,299.928608,427.579424,390.698896,260.889984,80.621568,0,0,28.53578067,37.90082034,56.15811811,64.6057633,53.0055504,26.26033006,5.335354858,0,0,3603.201977,3158.070517,6411.292097,9924.727485,9232.632409,6581.739317,2219.011824,0,0,35.5,43.25,72,92,80.5,47,12,0,0,53.10626655,60.16419091,35.69542419,24.89365626,16.79358007,5.102230737,1.016064,0,0,173.7867107,227.0203565,161.6014985,120.9484276,100.9411202,61.90322357,31.08374443,0,0,7.017392,7.271408,7.141157333,7.009498754,6.976766,6.865525895,6.718464,0,0,1.297080939,1.722764561,1.33709805,1.059110874,0.946527686,0.691061317,0.444612905,0,0,163.781908,143.5486599,152.6498118,162.7004506,164.8684359,173.2036662,184.917652,0,0,1.613636364,1.965909091,1.714285714,1.508196721,1.4375,1.236842105,1,0,0,0.04432006,1.12E-04,-0.0226489,-2.68E-04,-0.012144916,1.56E-04,0.012633786,0,0,616.3360458,5.47E-13,-296.1614766,8.004364231,-204.1112879,-8.004364231,192.1047416,0,0,1146.103196,1.42E-14,-550.7249122,14.88445709,-379.5536557,-14.88445709,357.2269701,0,0,0.120736,1.74E-15,-0.058016,0.001568,-0.039984,-0.001568,0.037632,0,0,5.123614541,1.06E-14,-2.461996598,0.066540449,-1.696781439,-0.066540449,1.596970766,0,0,27.8315555,-2.75E-14,-13.37360459,0.361448773,-9.216943706,-0.361448773,8.674770547,0,0,2.363636364,0.295454545,-0.966942149,-0.212809917,-0.834710744,-0.082644628,0.619834711,0,0,0.002014548,5.09E-06,-5.39E-04,-4.40E-06,-2.17E-04,4.11E-06,0.001052816,0,0,28.01527481,2.49E-14,-7.051463728,0.131219086,-3.644844427,-0.210641164,16.00872846,0,0,52.0955998,6.46E-16,-13.11249791,0.244007493,-6.777743852,-0.391696239,29.76891417,0,0,0.005488,7.92E-17,-0.001381333,2.57E-05,-7.14E-04,-4.13E-05,0.003136,0,0,0.23289157,4.82E-16,-0.058618967,0.001090827,-0.030299669,-0.001751064,0.133080897,0,0,1.265070705,-1.25E-15,-0.318419157,0.00592539,-0.16458828,-0.00951181,0.722897546,0,0,0.107438017,0.013429752,-0.023022432,-0.003488687,-0.014905549,-0.002174859,0.051652893,0,0,0.002526891,-0.267682619,-0.002182556,-0.107653666,0.00204064,0.522606273,0,0,8.88E-16,-0.25170068,0.004683841,-0.130102041,-0.007518797,0.571428571,0,0,1.24E-17,-0.25170068,0.004683841,-0.130102041,-0.007518797,0.571428571,0,0,1.44E-14,-0.25170068,0.004683841,-0.130102041,-0.007518797,0.571428571,0,0,2.07E-15,-0.25170068,0.004683841,-0.130102041,-0.007518797,0.571428571,0,0,-9.89E-16,-0.25170068,0.004683841,-0.130102041,-0.007518797,0.571428571,0,0,0.125,-0.214285714,-0.032471627,-0.138736264,-0.020242915,0.480769231,0,0,1.224973386,1.348280112,0.966545556,1.035176692,0.778718594,0.075195046,0,0,1.3125,1.375,0.946721311,1.03125,0.759868421,0,0,0,1.3125,1.375,0.946721311,1.03125,0.759868421,0,0,0,1.3125,1.375,0.946721311,1.03125,0.759868421,0,0,0,1.3125,1.375,0.946721311,1.03125,0.759868421,0,0,0,1.3125,1.375,0.946721311,1.03125,0.759868421,0,0,0,1.110576923,1.322115385,1.019546028,1.070913462,0.759868421,0,0,0,32.18047075,15.26401271,22.36361114,32.18047075,4.022558844,15.26401399,-8.88E-15,0.07050922,0.008813653,-2.121609438,28.35671512,3.544589391,2.675891094,32.18047075,15.26401271,22.36361114,32.18047075,4.022558844,15.26401399,-8.88E-15,0.07050922,0.008813653,-2.121609438,28.35671512,3.544589391,2.675891094,32.18047075,15.26401271,22.36361114,32.18047075,4.022558844,15.26401399,-8.88E-15,0.07050922,0.008813653,-2.121609438,28.35671512,3.544589391,2.675891094,32.18047075,15.26401271,22.36361114,32.18047075,4.022558844,15.26401399,-8.88E-15,0.07050922,0.008813653,-2.121609438,28.35671512,3.544589391,2.675891094,32.18047075,15.26401271,22.36361114,32.18047075,4.022558844,15.26401399,-8.88E-15,0.07050922,0.008813653,-2.121609438,28.35671512,3.544589391,2.675891094,32.18047075,15.26401271,22.36361114,32.18047075,4.022558844,15.26401399,-8.88E-15,0.07050922,0.008813653,-2.121609438,28.35671512,3.544589391,2.675891094,37.23147107,16.54162607,24.68150557,37.23147107,4.653933884,16.54162654,-0.125,0.14879791,0.018599739,-1.524132964,27.15366654,3.394208317,2.641209668,0,11.9,12.10012615,-0.142464,0.058195125,7.11588611,7.333055406,8,22,21,21,7,1,1,0,0,1,15.304898,3.604563197,3.110110108,3.047082505,2.010740482,1.919942697,1.254869013,1.15545056,0.747978793,1.960655835,1.570525661,1.550724218,0.880132103,0.872153395,0.557463679,0.52750675,0.26019115,3.627971634,3.139057512,3.082659583,2.072838976,1.989797097,1.366274695,1.275563574,0.884888782,1.907368887,1.495376485,1.485099134,0.764080357,0.748240257,0.406918613,0.371628419,0.093028485,3.731933355,3.267913788,3.239364928,2.344367629,2.29212788,1.812622263,1.750635436,1.416777624,1.752889678,1.293907267,1.270579916,0.397441074,0.350553487,0.106792295,0.164503714,0.489679923,3.645271782,3.160473573,3.10890471,2.118663858,2.041195988,1.446091516,1.36121568,0.981895183,1.873634184,1.447147674,1.443448196,0.687878371,0.666393847,0.30535539,0.266195069,0.020558406,3.783174432,3.331461166,3.315412688,2.472825904,2.433154483,2.004573415,1.952388221,1.638530996,1.705431994,1.235042362,1.19968573,0.276290544,0.216856011,0.293644241,0.36165691,0.707642767,3.70966514,3.231033749,3.108649286,2.204207936,2.11291066,1.572132907,1.494579508,1.193219346,1.834734869,1.416324792,1.335839802,0.555683175,0.549560174,0.141899055,0.105609311,0.23632957,0,0,0,2,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.656854249,4,2.828427125,2,1.414213562,1,0.707106781,0.5,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0.088388348,0.0625,5.397341225,3.649829914,2.462968352,1.65824829,1.113633046,0.745790812,0.497890958,0.333333333,0.674667653,0.456228739,0.307871044,0.207281036,0.139204131,0.093223851,0.06223637,0.041666667,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.82299,36.572,40,48,80,10,40,3.33E-16,4.16E-17,-28.51055062,26.73718884,3.342148605,2.628844349,64,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,6,2,0,2,0,0,0,0,0,0,0,0,0,0,6,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.637222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.581388889,0,0,1.518611111,0.580555556,0,0.581388889,0,0,0,0,0,0,0,0,0,0,8.362777778,0,4.637222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.318611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,0.225625,0.290277778,0,0.290694444,0,0,0,0,0,0,0,0,0,0,1.319444444,0,2.318611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.318611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290694444,0,0,0.290277778,0.290277778,0,0.290694444,0,0,0,0,0,0,0,0,0,0,1.44875,0,2.318611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13,1.625,0.290694444,2.318611111,0.225625,1.319444444,5.329281111,0.180555556,0.318611111,1.274444444,0.180555556,0.318611111,1.274444444,4,0.5,0,0,0.44545,0.7,0.43333,0.43333,0.7,0.01212,0.01212,0,0,0.71429,0,0,0,0,0,5,0.625,4,0.5,1,0.125,-3,-0.375,0,0,6.72906,0.84113,7.83333,1.10427,0.13803,3.45711,0.43214,4,0.54289,0.06786,-0.086,-0.01075,0,0,0.363636364,8,0,0,0,0,0,0,0.75,0.945660305,1.867633891,2.55034071,2.913977073,2.913977073,2.913977073,20.8045267,41.0879456,56.10749561,64.10749561,64.10749561,64.10749561,0.212058483,0.418805366,0.571898154,0.653441363,0.653441363,0.653441363,3.513771314,2.591797728,1.909090909,1.545454545,1.545454545,1.545454545,0.209052139,0.412867981,0.563790379,0.644177553,0.644177553,0.644177553,6.786633838,13.7115537,16.39817999,16.76466182,16.76466182,16.76466182,31.28312609,24.63270148,21.75898597,21.0907218,21.0907218,21.0907218,6.125,3.9375,2.8125,0,2,0,2.34,1.0842,0,0,0,0,13.76640469,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.093,0.088,0.377,0.384,4.062,8,8,8,8,8,8,0,0,0,64,2.302585093,2.397895273,2.48490665,2.564949357,2.63905733,2.708050201,2.772588722,0,0,0,4.532599493,1.4375,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,22.82842712,32,4,16.00000052,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,0,131.9314183,4,3.496507561,4.17438727,4.859812404,5.549076085,6.240275845,6.932447892,7.625107148,8.318010278,9.01103541,72.20665989,2.833213344,0,3.891820298,0,5.081404365,0,6.357842267,0,7.685703061,8.001355026,110.1095504,5.004979566,15.9375,1.9921875,0,0,0,64,8,4.036,32,1.257403977,2.191009707,2.910858949,3.53859191,3.997018933,4.462733501,0,0,0,0,87.93922864,85.80849845,76.55420695,57.81592941,19.9698676,4.534422852,0,0,0,0,314.1680331,374.9070615,365.9593756,354.8680698,244.2315487,138.7184676,0,0,0,0,9.182418933,15.69006652,20.44405578,24.69184471,27.42638272,29.98271437,0,0,0,0,2.321992869,3.05412276,3.174458481,3.342142214,2.736621848,1.984188905,0,0,0,0,178.0505461,331.3647075,470.5620136,582.985123,693.5133882,825.2382006,0,0,0,0,2.559804712,3.838905107,4.46136083,5.092833587,4.907191682,4.462733501,0,0,0,0,0.479223601,0.641806416,0.675851225,0.720928145,0.606664156,0.45698391,0,0,0,0,274.2027883,123.4342242,9.166854633,29.37304046,-13.22247116,-1.918116779,244.8297478,136.6566953,11.08497141,0.903243152,0.406600962,0.03019626,0.096756848,-0.043555744,-0.006318411,83.2413387,37.4716469,2.782835492,8.916945102,-4.014022641,-0.582293891,0.126390723,0.195335664,3.226609004,1.320754289,303.5758288,0,1,0,506.1458097,22.49768454,7.969392472,642.1889395,25.34144707,8.627552429,869.6083524,29.48912261,9.544969994,1.39066618,1.383054236,330.0379037,211.304082,196.8249632,1.561909739,1.676809173,1.073563427,3.69657383,3.787350503,5.449822609,0.438953856,4.068556629,6.174346752,3.454586538,25.17453313,9.603247976,19.33236941,7.027214861,7.406648457,1.959967237,1.252855044,7.15E-14,1.27E-48,4.33E-105,2.86E-183,3.64E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.341402408,6.168715653,0.132868607,7.945831768,0.989004582,3.29546341,0.329944414,0.266091574,0.013804233,0.008823961,5.04E-16,8.93E-51,3.05E-107,2.01E-185,2.56E-285,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.102108573,6.169092437,0.532401345,10.28443037,1.871905286,5.672635182,1.236291094,1.093223213,0.143850565,0.091952472,5.25E-15,9.30E-50,3.18E-106,2.10E-184,2.67E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.840352682,6.173728684,3.152709022,23.70301512,8.766184951,18.03351934,6.454229181,6.746491125,1.746295538,1.116271288,6.37E-14,1.13E-48,3.86E-105,2.55E-183,3.24E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.624334886,6.169580501,0.88936067,12.23962113,2.737928174,7.570619887,1.995263715,1.848204413,0.312462594,0.199733056,1.14E-14,2.02E-49,6.91E-106,4.56E-184,5.80E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.913527464,6.176945529,4.684170077,31.09613486,13.05416261,24.50144963,9.333778548,10.10413361,2.858427939,1.827171336,1.04E-13,1.85E-48,6.32E-105,4.17E-183,5.30E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.447562063,5.86835275,1.673861044,16.32765781,4.525531896,11.07411597,3.387594019,3.511242909,0.74223617,0.474453981,2.71E-14,4.80E-49,1.64E-105,1.08E-183,1.38E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.202377161,1.839567691,0.86555631,0.448777716,0.374848142,0.507169174,0.503771712,0.558254083,4.907501161,7.549952738,15.96418766,0.235438786,1.569194969,1.565026712,1.444330862,0.355594883,0.465096233,0.429227717,0.256008617,0.29923137,0.094500989,3.364952457,3.330528535,7.499273491,0.341485925,0.649740976,1.806482975,1.596068462,0.549800013,0.457065369,0.403827565,0.340716692,0.375775139,0.225683458,3.95235145,4.753993327,10.29156694,0.291339402,0.942175288,2.185421886,1.829182778,0.85205615,0.449059832,0.375859927,0.499363818,0.498030931,0.541026111,4.866660814,7.418204671,15.69099068,0.237379638,1.53842086,1.919126081,1.665658119,0.639800185,0.454275712,0.394277393,0.384703878,0.411089921,0.305461578,4.224584385,5.490153532,11.75992827,0.272829658,1.101255377,2.255857694,1.872310276,0.90813103,0.447919731,0.371763129,0.532184236,0.522054006,0.61433836,5.036299,7.972582971,16.84452371,0.229524291,1.668576602,2.184542646,1.835576796,0.853952415,0.448196643,0.376600274,0.498945973,0.500681005,0.542820709,4.874071856,7.442886495,15.74121855,0.237195376,1.542447687 +UMLYSI0142,L,butylcyclohexane,CCCCC1CCCCC1,cyclic alkanes,C10H20,1678-93-9,15506,PubChem,,76.8,0,-0.928,0.861184,36.6149,30.93586,0,0,30,10,20,0,10,0,0,0,0,0,0,0,0,0,1462.96249,1684.78297,2058.151379,1843.453089,1329.975366,1046.436893,722.517771,338.148889,76.792464,4856.843906,6529.901345,9360.59853,9749.604803,7800.232761,5928.110612,4509.682387,2775.839397,1071.022993,209.77444,217.7578,427.318796,608.669892,563.098776,436.953524,333.734124,268.4305,143.083584,36.7812581,50.1598862,77.88332573,87.87502559,73.49196704,55.7864022,43.09077163,29.04923006,12.68152803,4966.296601,4330.394515,9247.488902,14229.33168,13516.76139,10596.11309,8002.185115,6708.533673,3724.295171,43.77777778,53.83333333,92.75,119.5,106.75,82.75,66.25,50,24.5,48.76541633,56.15943233,34.30252298,21.18911597,16.41944896,16.61010941,15.05245356,8.670484333,3.656784,161.8947969,217.6633782,156.0099755,112.064423,96.29916989,94.09699385,93.9517164,71.17536916,51.00109489,6.992481333,7.258593333,7.121979933,6.996205655,6.951836741,6.935770222,6.95279425,6.882833333,6.813504,1.226041937,1.671996207,1.298055429,1.010057765,0.907308235,0.885498448,0.897724409,0.744852053,0.603882287,165.54322,144.3464838,154.124815,163.5555366,166.8735974,168.1922713,166.7121899,172.0136839,177.3473891,1.459259259,1.794444444,1.545833333,1.373563218,1.317901235,1.313492063,1.380208333,1.282051282,1.166666667,0.041253682,-0.001625969,-0.016021924,-0.00763751,-0.002599076,0.006360746,-0.004958147,-7.29E-04,0.002953886,807.1067267,-5.90E-13,-282.4873543,-161.4213453,-80.71067267,80.71067267,-121.066009,4.58E-13,80.71067267,1500.849423,5.26E-13,-525.297298,-300.1698846,-150.0849423,150.0849423,-225.1274134,-3.20E-13,150.0849423,0.158106667,3.66E-15,-0.055337333,-0.031621333,-0.015810667,0.015810667,-0.023716,-1.85E-15,0.015810667,6.709495232,1.85E-14,-2.348323331,-1.341899046,-0.670949523,0.670949523,-1.006424285,-9.33E-15,0.670949523,36.44608459,-3.02E-13,-12.75612961,-7.289216918,-3.644608459,3.644608459,-5.466912688,1.60E-13,3.644608459,2.162962963,-0.344444444,-0.687037037,-0.28,-0.152962963,0.541111111,-0.255185185,-0.134074074,0.041481481,0.001375123,-5.42E-05,-2.67E-04,-8.78E-05,-3.21E-05,1.01E-04,-1.03E-04,-1.87E-05,1.41E-04,26.90355756,-1.97E-14,-4.708122572,-1.855417762,-0.996428058,1.281121788,-2.522208521,1.18E-14,3.843365365,50.0283141,1.75E-14,-8.754954967,-3.450228558,-1.852900522,2.382300671,-4.690154447,-8.20E-15,7.146902014,0.005270222,1.22E-16,-9.22E-04,-3.63E-04,-1.95E-04,2.51E-04,-4.94E-04,-4.74E-17,7.53E-04,0.223649841,6.16E-16,-0.039138722,-0.015424127,-0.008283327,0.010649992,-0.020967173,-2.39E-16,0.031949977,1.214869486,-1.01E-14,-0.21260216,-0.083784103,-0.044995166,0.057850928,-0.113894014,4.09E-15,0.173552784,0.072098765,-0.011481481,-0.011450617,-0.003218391,-0.001888432,0.008589065,-0.005316358,-0.003437797,0.001975309,-0.03941391,-0.194187802,-0.063839739,-0.023334179,0.073421973,-0.075116728,-0.013589465,0.102289949,-7.31E-16,-0.175,-0.068965517,-0.037037037,0.047619048,-0.09375,4.37E-16,0.142857143,3.50E-16,-0.175,-0.068965517,-0.037037037,0.047619048,-0.09375,-1.64E-16,0.142857143,2.32E-14,-0.175,-0.068965517,-0.037037037,0.047619048,-0.09375,-8.99E-15,0.142857143,2.76E-15,-0.175,-0.068965517,-0.037037037,0.047619048,-0.09375,-1.07E-15,0.142857143,-8.29E-15,-0.175,-0.068965517,-0.037037037,0.047619048,-0.09375,3.37E-15,0.142857143,-0.159246575,-0.158818493,-0.04463864,-0.026192288,0.119129159,-0.073737158,-0.04768177,0.02739726,1.490856034,1.351813003,1.014821861,0.915974618,0.816404663,1.046007634,0.846842902,0.570847537,1.45,1.3775,1.05,0.939814815,0.828571429,0.996875,0.780769231,0.517857143,1.45,1.3775,1.05,0.939814815,0.828571429,0.996875,0.780769231,0.517857143,1.45,1.3775,1.05,0.939814815,0.828571429,0.996875,0.780769231,0.517857143,1.45,1.3775,1.05,0.939814815,0.828571429,0.996875,0.780769231,0.517857143,1.45,1.3775,1.05,0.939814815,0.828571429,0.996875,0.780769231,0.517857143,1.663527397,1.173159247,0.883989726,0.83912037,0.72712818,1.256956336,1.160267387,0.877874266,55.12321989,27.56160995,42.5576848,55.12321989,5.512321989,27.56160995,3.20E-14,0.162869141,0.016286914,-1.814808216,52.10125507,5.210125507,3.953189038,55.12321989,27.56160995,42.5576848,55.12321989,5.512321989,27.56160995,3.20E-14,0.162869141,0.016286914,-1.814808216,52.10125507,5.210125507,3.953189038,55.12321989,27.56160995,42.5576848,55.12321989,5.512321989,27.56160995,3.20E-14,0.162869141,0.016286914,-1.814808216,52.10125507,5.210125507,3.953189038,55.12321989,27.56160995,42.5576848,55.12321989,5.512321989,27.56160995,3.20E-14,0.162869141,0.016286914,-1.814808216,52.10125507,5.210125507,3.953189038,55.12321989,27.56160995,42.5576848,55.12321989,5.512321989,27.56160995,3.20E-14,0.162869141,0.016286914,-1.814808216,52.10125507,5.210125507,3.953189038,55.12321989,27.56160995,42.5576848,55.12321989,5.512321989,27.56160995,3.20E-14,0.162869141,0.016286914,-1.814808216,52.10125507,5.210125507,3.953189038,59.54683721,29.61417586,46.02165617,59.49017054,5.949017054,29.61417586,-0.094444444,0.123827688,0.012382769,-2.088864295,52.94017589,5.294017589,3.969162519,0,11.9,12.10017173,-0.151270341,0.048916831,5.216167653,8.911568439,10,30,30,30,10,0,0,0,0,0,21.86414,3.651218667,3.305595329,2.888757465,2.750129472,2.422507131,1.813168671,1.456797487,1.334261163,2.009715587,1.790151187,1.473452691,1.372874417,1.186192899,0.85864057,0.666206401,0.600615592,3.675358959,3.33893243,2.928487805,2.792995694,2.477952898,1.895168016,1.556142907,1.439976054,1.956982951,1.720872734,1.390107586,1.285229005,1.084051511,0.728794522,0.522081792,0.451765523,3.781404037,3.484669513,3.104026005,2.981537655,2.716984589,2.237921793,1.9628467,1.869392923,1.802574865,1.513545339,1.139016594,1.018928274,0.763368856,0.302263541,0.037619229,0.052237044,3.693133959,3.363455455,2.957839821,2.824624264,2.518622345,1.954764314,1.62787375,1.516108685,1.923478018,1.676429725,1.336434052,1.228596505,1.017209141,0.64235934,0.425347018,0.351603611,3.833063294,3.554961205,3.189243744,3.072480534,2.829202084,2.39238001,2.141548494,2.056415205,1.754539027,1.44790393,1.059540215,0.933903671,0.657393523,0.154215059,0.135164289,0.233597641,3.698822018,3.44974751,3.043876092,2.877147817,2.629180786,2.096297644,1.7690192,1.666524911,1.895432209,1.579060307,1.224269936,1.138584417,0.869787917,0.464277569,0.246713034,0.164639049,0,0,0,0,0,1,8,1,0,0,0,0,0.102062073,0.072168784,0,0,0,0.102062073,0.072168784,0.204124145,0,0,0,0.204124145,0,0,0,0.433012702,0.612372436,0.679412342,0.433012702,0.612372436,0.679412342,7.234204519,4.931851653,3.64626437,2.690670698,1.968614081,1.513420006,0.637136847,0.348461713,0.723420452,0.493185165,0.331478579,0.224222558,0.151431852,0.108101429,0.079642106,0.058076952,7.234204519,4.931851653,3.64626437,2.690670698,1.968614081,1.513420006,0.637136847,0.348461713,0.723420452,0.493185165,0.331478579,0.224222558,0.151431852,0.108101429,0.079642106,0.058076952,15.41827804,28.87836854,27.25490196,27.6,17.98554491,230.2825509,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.7569,46.1,44.38801919,65.39551953,88.77603837,8.877603837,44.38801919,0.155799856,0.015579986,-1.859183073,41.5279113,4.15279113,3.726365763,107,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,1,0,8,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,2.294470663,0,11.93358489,0,0,0,1.105277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.294470663,0,1.385416667,0,0,0,1.105277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.294470663,0,1.527777778,0,0,0,1.105277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.33333333,1.533333333,0.2,2.294470663,0.2,1.105277778,7.2129423,0.228055556,0.294470663,0.759351852,0.228055556,0.294470663,0.759351852,5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.1,0.1,0,5,0.5,5,0.5,0,0,-5,-0.5,0,0,10.92787,1.09279,10.92787,0,0,4.93185,0.49318,4.93185,0,0,-0.01785,-0.00178,0.06815,0.00682,0.2,10,0,0,0,0,0,0,1,0.918295834,1.225605199,2.189898095,2.898068512,2.944531749,3.238920595,27.54887502,36.76815597,65.69694286,86.94205536,88.33595246,97.16761785,0.187144143,0.249772269,0.446290385,0.590612009,0.600080986,0.660075975,3.988594762,3.681285397,2.7169925,2.008822084,1.962358847,1.667970001,0.187144143,0.249772269,0.446290385,0.590612009,0.600080986,0.660075975,6.73287657,10.42058895,15.51270227,15.77019766,16.69286615,18.03555674,39.49875002,34.17045587,27.12459603,27.21399451,26.51576342,22.9446904,8.1,4.760330579,3.111111111,4,0,4,2.56,1.409,0,2.142414564,0.25,0,11.46750113,4.68730728,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,4.892,11,12,13,14,8,6,4,2,0,90,2.397895273,2.48490665,2.564949357,2.63905733,2.708050201,2.197224577,1.945910149,1.609437912,1.098612289,0,4.510859507,1,0.428571429,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.3,4,0.4,1,4,7,0.75,1,0.444444444,0.1875,0.151111111,0.090277778,0.060408163,0.027777778,0,0,0,0.1,0.04040404,0.020833333,0.025185185,0.018055556,0.020136054,0.027777778,0,0,0,0.252391947,27.56160995,42.5576848,55.12321989,5.512321989,27.56160995,0.162869141,0.016286914,-1.814808216,52.10125507,5.210125507,3.953189038,0,169.1598463,4.321928095,3.761200116,4.48863637,5.241747015,5.993961427,6.758094504,7.518064181,8.285765421,9.048409505,9.817439348,80.91331789,3.044522438,0,4.17438727,0,5.517452896,0,6.955592608,0,8.438366411,8.701346403,140.1565006,4.671883355,19.70454557,1.970454557,0,0,0,133,9,5.629,42,1.229266235,2.108487799,2.819923633,3.546497599,4.296175875,5.047498298,5.824276113,6.622563587,7.58844816,0,79.27849437,80.19553315,65.73807256,65.42453596,80.5174708,85.08603428,55.14751017,25.43724605,7.710348992,0,291.5000555,350.3782966,335.5031083,363.5947563,432.5901294,505.8608844,434.9909879,346.959424,235.8773832,0,8.955521785,15.06098183,19.78258284,24.71084367,29.87028315,35.18860143,40.16277171,45.16677013,50.98271578,0,2.185186681,2.864574472,2.9745295,3.357117484,3.983819686,4.741507815,4.48486061,4.072828214,3.37392198,0,175.3995389,321.8411656,457.2017701,587.6866596,717.2048699,834.3577264,996.0175105,1170.997046,1403.238016,0,2.261208984,3.329710618,3.95251138,4.767493613,5.772470583,7.130604081,7.59360492,7.815409199,7.58844816,0,0.452167257,0.602547813,0.635442878,0.722524451,0.857634826,1.022395828,0.982500222,0.910253674,0.777057092,0,393.0203095,205.1673582,10.16880303,84.87991029,-44.30963627,-4.545969632,308.1403993,249.4769945,14.71477266,0.822389891,0.429310031,0.021278088,0.177610109,-0.092717338,-0.009512382,187.8244923,98.04952561,4.859673203,40.56412779,-21.17558491,-2.172519887,0.057237135,0.124832175,1.006631119,1.177741068,477.9002198,0,1,0,682.8851744,26.13207176,8.806078679,876.625896,29.60786882,9.57057649,1188.847309,34.47966515,10.59356233,1.418197253,1.4010958,789.6624102,733.9111696,194.0586472,1.075964562,4.069194655,3.781903976,4.652106009,4.681932691,8.190537083,0.749392318,5.578631074,8.80491323,8.814704087,19.89662066,20.47298534,9.185370855,13.64938399,16.95804765,8.895927531,7.006867243,6.35217335,9.807935645,5.852504408,1.717652168,2.154574736,6.95E-05,3.50E-29,3.40E-75,6.39E-143,2.31E-232,0,0,0,0,0,0,0,0,0,0,0.468743771,7.477438473,0.660593984,6.657306147,1.022874031,1.54778163,1.92762426,1.922075751,1.621131474,0.790188922,1.114375269,0.600551363,0.192598207,0.134500382,0.015174846,4.90E-07,2.46E-31,2.40E-77,4.50E-145,1.63E-234,0,0,0,0,0,0,0,0,0,0,1.511780701,7.566143894,2.160230268,7.742623914,3.707244568,2.807208249,3.192256953,3.882967386,2.631333452,1.586493936,1.75176213,1.927093776,0.818452131,0.440542462,0.158133596,5.10E-06,2.57E-30,2.50E-76,4.69E-144,1.70E-233,0,0,0,0,0,0,0,0,0,0,5.265807432,8.659168457,8.257217561,18.51403986,18.82738582,8.611825821,12.53272719,15.64548674,8.282622801,6.459078184,5.878776934,9.048675189,5.318705862,1.614678755,1.9196873,6.20E-05,3.12E-29,3.03E-75,5.69E-143,2.06E-232,0,0,0,0,0,0,0,0,0,0,2.227792857,7.681154294,3.23861355,8.967813548,5.93176494,3.760713131,4.395322623,5.558126558,3.465765274,2.273472398,2.317506529,3.001885373,1.405286962,0.655711945,0.3434873,1.11E-05,5.58E-30,5.42E-76,1.02E-143,3.68E-233,0,0,0,0,0,0,0,0,0,0,6.736876218,9.417750131,10.94501848,25.66524828,27.08237903,11.42927922,18.23696311,22.2630354,11.35741002,9.224936225,8.278374467,12.84121424,8.041588812,2.105790225,3.142244762,1.01E-04,5.10E-29,4.96E-75,9.31E-143,3.37E-232,0,0,0,0,0,0,0,0,0,0,3.717476959,7.816492496,5.324887888,12.38572437,10.93782367,5.722080342,7.581291914,9.481691491,5.620900503,4.22933827,3.809641343,5.776602172,3.112653429,1.206726206,0.916407024,2.96E-05,1.49E-29,1.45E-75,2.72E-143,9.83E-233,0,0,0,0,0,0,0,0,0,0,5.578111037,1.442105188,0.958443945,0.699128791,0.180745283,0.506742913,0.54341102,0.42380272,7.97866017,14.77270659,30.46130346,0.548693186,1.473956654,4.759605794,0.892631759,0.493951992,0.774399448,0.14523336,0.370128505,0.209049389,0.112742443,6.146189545,7.040509291,15.28529106,0.661599173,0.691920336,5.084458507,1.110972191,0.678556699,0.739666545,0.16161976,0.421780148,0.323353925,0.212687798,6.873987397,9.852643012,20.55958821,0.609499817,0.957821872,5.557824827,1.428512139,0.946956394,0.700569685,0.180065463,0.503097441,0.533276614,0.41373176,7.93329336,14.55517669,30.00675481,0.550854527,1.450105815,5.229359897,1.208248407,0.760788551,0.726461739,0.167849652,0.445909168,0.382181622,0.267285656,7.198396856,11.21602446,23.22136166,0.589692608,1.095376445,5.641628511,1.484658264,0.994404763,0.69472267,0.182824117,0.51824257,0.575743554,0.456104114,8.120691538,15.4623039,31.91202074,0.542084006,1.550090239,5.577325783,1.431520273,0.949412688,0.700822374,0.179878579,0.506522255,0.535364113,0.41576168,7.958258744,14.6383423,30.17676409,0.551233561,1.457648048 +UMLYSI0143,L,1-decene,CCCCCCCCC=C,alkenes,C10H20,872-05-9,13381,PubChem,,74.8,0,-0.7136,0.50922496,37.9673,30.93586,0,0,30,10,20,0,10,0,0,0,0,0,0,0,0,0,1462.96249,1540.518849,1589.037752,1431.821839,1237.097238,1040.340509,843.58378,646.827051,450.070322,4856.843906,6106.384443,7745.837976,7693.037347,6748.406491,5741.608146,4734.809801,3728.011456,2721.213111,209.77444,210.217284,383.344352,508.975612,459.52764,396.64274,333.75784,270.87294,207.98804,36.7812581,47.3709862,66.1759928,70.27255668,62.14025364,53.11872478,44.09719592,35.07566706,26.0541382,4966.296601,4203.600159,8407.738191,12074.68219,10965.56234,9486.607182,8007.652027,6528.696872,5049.741717,52.75,60.5,89.75,106.5,96.25,84,71.75,59.5,47.5,48.76541633,53.12133962,29.42662504,19.61399779,18.74389755,18.25158788,17.57466208,16.585309,15.00234407,161.8947969,210.5649808,143.441444,105.3840732,102.2485832,100.7299675,98.64187085,95.59003733,90.70710369,6.992481333,7.248871862,7.098969481,6.972268658,6.96254,6.958644561,6.953288333,6.94546,6.932934667,1.226041937,1.633482283,1.225481348,0.962637763,0.941518994,0.931907452,0.918691582,0.899376078,0.868471273,165.54322,144.9517296,155.6988554,165.4066053,166.1448839,166.431705,166.8260839,167.4024839,168.3247239,1.758333333,2.086206897,1.662037037,1.45890411,1.458333333,1.473684211,1.494791667,1.525641026,1.583333333,0.061948619,-0.007612276,-0.029162481,0.001676669,0.001213163,7.34E-05,-6.77E-05,9.61E-05,0.00176792,807.1067267,-53.80711511,-363.198027,-26.90355756,4.01E-13,3.45E-13,2.88E-13,2.31E-13,1.74E-13,1500.849423,-100.0566282,-675.3822403,-50.0283141,-9.24E-14,-9.24E-14,-2.06E-13,-2.06E-13,-1.49E-13,0.158106667,-0.010540444,-0.071148,-0.005270222,-6.83E-16,-7.10E-16,-7.38E-16,-7.38E-16,-7.24E-16,6.709495232,-0.447299682,-3.019272855,-0.223649841,-3.55E-15,-3.55E-15,-3.55E-15,-3.55E-15,-3.77E-15,36.44608459,-2.429738973,-16.40073807,-1.214869486,5.84E-14,6.91E-14,6.91E-14,6.73E-14,6.55E-14,5.875,-0.4375,-1.5,-0.0625,0,-0.0625,-0.125,-0.1875,0,0.002064954,-2.62E-04,-5.40E-04,2.30E-05,1.84E-05,1.29E-06,-1.41E-06,2.46E-06,5.89E-05,26.90355756,-1.855417762,-6.725889389,-0.368541884,6.08E-15,6.05E-15,6.00E-15,5.92E-15,5.80E-15,50.0283141,-3.450228558,-12.50707852,-0.685319371,-1.40E-15,-1.62E-15,-4.29E-15,-5.28E-15,-4.97E-15,0.005270222,-3.63E-04,-0.001317556,-7.22E-05,-1.03E-17,-1.25E-17,-1.54E-17,-1.89E-17,-2.41E-17,0.223649841,-0.015424127,-0.05591246,-0.003063696,-5.38E-17,-6.23E-17,-7.40E-17,-9.11E-17,-1.26E-16,1.214869486,-0.083784103,-0.303717372,-0.016642048,8.85E-16,1.21E-15,1.44E-15,1.73E-15,2.18E-15,0.195833333,-0.015086207,-0.027777778,-8.56E-04,0,-0.001096491,-0.002604167,-0.004807692,0,-0.127117744,-0.26152929,0.011122798,0.008901531,6.24E-04,-6.83E-04,0.001193602,0.028538483,-0.068965517,-0.25,-0.01369863,2.26E-16,2.25E-16,2.23E-16,2.20E-16,2.16E-16,-0.068965517,-0.25,-0.01369863,-2.80E-17,-3.24E-17,-8.58E-17,-1.06E-16,-9.94E-17,-0.068965517,-0.25,-0.01369863,-1.96E-15,-2.36E-15,-2.92E-15,-3.59E-15,-4.58E-15,-0.068965517,-0.25,-0.01369863,-2.41E-16,-2.79E-16,-3.31E-16,-4.07E-16,-5.63E-16,-0.068965517,-0.25,-0.01369863,7.28E-16,9.97E-16,1.18E-15,1.42E-15,1.80E-15,-0.07703595,-0.141843972,-0.004371903,0,-0.005599104,-0.013297872,-0.024549918,0,1.467654129,1.275940415,0.812883118,0.831107247,0.866607824,0.906919775,0.962558714,1.033362421,1.5,1.409722222,0.953424658,0.922727273,0.915789474,0.90625,0.892307692,0.87,1.5,1.409722222,0.953424658,0.922727273,0.915789474,0.90625,0.892307692,0.87,1.5,1.409722222,0.953424658,0.922727273,0.915789474,0.90625,0.892307692,0.87,1.5,1.409722222,0.953424658,0.922727273,0.915789474,0.90625,0.892307692,0.87,1.5,1.409722222,0.953424658,0.922727273,0.915789474,0.90625,0.892307692,0.87,1.446808511,0.902679275,0.718449432,0.757253385,0.83351997,0.938386525,1.091653028,1.295744681,66.53592808,33.26796404,53.52036394,66.53592808,6.653592808,33.26796404,-1.42E-14,0.040892628,0.004089263,-3.196805467,49.216614,4.9216614,3.896231249,66.53592808,33.26796404,53.52036394,66.53592808,6.653592808,33.26796404,-1.42E-14,0.040892628,0.004089263,-3.196805467,49.216614,4.9216614,3.896231249,66.53592808,33.26796404,53.52036394,66.53592808,6.653592808,33.26796404,-1.42E-14,0.040892628,0.004089263,-3.196805467,49.216614,4.9216614,3.896231249,66.53592808,33.26796404,53.52036394,66.53592808,6.653592808,33.26796404,-1.42E-14,0.040892628,0.004089263,-3.196805467,49.216614,4.9216614,3.896231249,66.53592808,33.26796404,53.52036394,66.53592808,6.653592808,33.26796404,-1.42E-14,0.040892628,0.004089263,-3.196805467,49.216614,4.9216614,3.896231249,66.53592808,33.26796404,53.52036394,66.53592808,6.653592808,33.26796404,-1.42E-14,0.040892628,0.004089263,-3.196805467,49.216614,4.9216614,3.896231249,85.47367855,42.47208944,69.30234087,85.17367855,8.517367855,42.47208944,-0.5,0.075599271,0.007559927,-2.582308636,48.9045195,4.89045195,3.889869816,0,11.79,12.21007879,-0.306948039,0.113311142,5.119156399,7.448485494,9,29,28,28,8,1,1,0,0,1,21.86414,3.52108408,3.357442808,3.081433849,2.715335633,2.30029729,1.888862952,1.533683524,1.270833524,1.926650081,1.796235141,1.601124015,1.366541273,1.11889197,0.889876864,0.7078572,0.583297216,3.548497649,3.386864148,3.116946261,2.761083058,2.360057948,1.965817151,1.629333267,1.383461819,1.867480706,1.731928797,1.526761479,1.276545205,1.010389032,0.763563779,0.566793707,0.431818797,3.668973442,3.516690464,3.272942385,2.960671443,2.617551385,2.290629368,2.022275763,1.833651535,1.693000219,1.542671317,1.303946671,0.999928585,0.667410494,0.352142065,0.094798109,0.085189605,3.568691731,3.408567599,3.143118662,2.794752475,2.40390105,2.021931462,1.698464613,1.464075869,1.829762437,1.69095372,1.479012186,1.218134783,0.939180116,0.679729714,0.472270138,0.329627854,3.727568483,3.58009365,3.348444081,3.055968484,2.738081354,2.438558447,2.195749173,2.026932228,1.638464244,1.483739079,1.233500967,0.910503613,0.553427686,0.210848224,0.072649224,0.273414305,3.66655985,3.443279297,3.203611627,2.857541608,2.46255365,2.082258195,1.768782245,1.546938347,1.868002172,1.670365381,1.391952823,1.092316188,0.816499394,0.57314683,0.36815834,0.219360273,0,0,1,1,0,1,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.656854249,4.914213562,3.121320344,1.957106781,1.207106781,0.728553391,0.426776695,0.239276695,0.765685425,0.546023729,0.390165043,0.279586683,0.201184464,0.145710678,0.106694174,0.079758898,7.234204519,4.523603362,2.845117222,1.761801681,1.06900522,0.630900841,0.357725915,0.19045042,0.723420452,0.502622596,0.355639653,0.251685954,0.178167537,0.126180168,0.089431479,0.063483473,15.41827804,28.87836854,27.25490196,27.6,17.98554491,230.2825509,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.84919,47.92,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,122,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,8,1,0,2,0,0,0,0,0,0,0,0,1,1,7,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.708362623,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375058067,0.315058067,0,0,1.809883866,0.290277778,0,0.690116134,0,0,0,0,0,0,0,0,2.253711026,3.694651597,9.537926351,0,2.013711026,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.013711026,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375058067,0.315058067,0,0,0.20558642,0.290277778,0,0.315058067,0,0,0,0,0,0,0,0,2.253711026,3.694651597,1.200520833,0,2.013711026,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.694651597,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375058067,0.315058067,0,0,0.290277778,0.290277778,0,0.375058067,0,0,0,0,0,0,0,0,2.253711026,3.694651597,1.424248866,0,2.013711026,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.5,1.75,0.375058067,3.694651597,0.20558642,1.200520833,7.30962196,0.299479167,0.694651597,1.924147298,0.299479167,0.694651597,1.924147298,5,0.5,0,0,0.43333,0.7,0.425,0.425,0.7,0.00833,0.00833,0,0,0.71429,0,0,0.2,0,0,5.5,0.55,4.5,0.45,1,0.1,-3.5,-0.35,0,0,9.44177,0.94418,10.82617,1.3844,0.13844,4.34933,0.43493,4.91421,0.56488,0.05649,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,9,0,0,0,0,0,0,0.8,0.918295834,1.915172902,2.914409345,3.456564762,3.532914564,3.105587262,27.54887502,57.45518706,87.43228036,103.6969429,105.9874369,93.16761785,0.187144143,0.390302752,0.59394219,0.704430778,0.71999049,0.632903302,3.988594762,2.991717694,1.99248125,1.450325833,1.373976032,1.801303334,0.187144143,0.390302752,0.59394219,0.704430778,0.71999049,0.632903302,6.73287657,14.2264205,17.98510136,18.98771564,17.28585308,15.42614989,39.49875002,29.53379389,23.73755242,21.32372335,24.30433692,28.10135861,10,9,9.142857143,10,2,10,2.56,1.4746,0.111111111,4.250401119,0,0,11.24058363,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,4.657,8,7,6,5,4,3,2,1,0,55,2.397895273,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,4.17438727,1.163636364,0.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0.777777778,8,0.888888889,1,5,9,0.8,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0,0,0.055555556,0.027777778,0.017857143,0.013333333,0.011111111,0.010204082,0.010416667,0.012345679,0,0,0.158601348,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,0,178.8798463,4.321928095,3.555348061,4.17438727,4.812184355,5.451038454,6.098074282,6.744059186,7.394493107,8.04334217,8.695004593,73.96793148,2.944438979,0,3.931825633,0,5.056245805,0,6.244166901,0,7.466799475,7.82284529,140.1565006,4.671883355,18.82909733,1.882909733,0,0,0,165,7,5.664,34,1.231689655,2.140780394,2.87396137,3.613678691,4.950087435,5.974307171,7.293976072,8.405556204,9.706559382,10.88477305,76.41076678,70.39312721,68.78030987,87.8779307,107.7805786,125.0835909,138.2541873,143.1193033,129.1280163,64.63215985,285.0092121,328.0299733,334.3826029,436.8278303,551.0699985,656.3077083,752.1083709,821.2426552,835.3848023,742.4046567,8.963500586,15.24412117,20.09359169,25.35251061,34.5754716,41.73169429,50.80664532,58.44955491,67.20101429,75.05704124,2.151159112,2.750842958,2.946935817,3.843180558,4.94122359,5.926726971,6.911779807,7.689931323,8.161001213,8.070623427,176.3477702,329.9628458,471.6104478,585.9950417,814.3757066,982.3908264,1210.157291,1401.716284,1640.487429,1859.208042,2.637982759,3.649750561,4.320208748,5.646009088,7.580132314,9.354593776,11.50302199,13.82189369,16.70497151,18.59205706,0.445679224,0.581140877,0.62954359,0.820102034,1.058434716,1.270777743,1.486737345,1.65917361,1.773177836,1.779244588,482.4376287,295.1361865,14.95191132,191.3650441,-117.0695361,-13.02849217,291.0725845,412.2057226,27.98040349,0.715992453,0.438015755,0.022190341,0.284007547,-0.173744541,-0.019335768,325.0677636,198.8635513,10.07463781,128.9422782,-78.8817663,-8.778632848,0.092568659,0.167762534,1.910605186,4.357897911,673.8026728,0,1,0,579.384085,24.07039852,8.336597885,773.7617436,27.81657318,9.180558123,909.12671,30.15172814,9.687420225,3.224745971,3.224745971,1857.036957,1826.841183,56.87125387,1.016528954,32.65334999,32.12240032,5.089974808,6.901696073,12.66751418,0.83542046,5.822997744,7.708948676,4.016172992,32.83728512,14.33625112,1.027417843,7.209655741,8.676134838,21.32705808,0.67707902,2.065058852,15.95105504,3.359446219,15.76023429,1.353352199,2.53662135,4.108222281,4.654626843,5.033314881,3.088409028,2.558767404,0.386070917,2.877315227,0.120880501,3.16E-05,1.60E-30,1.55E-77,2.92E-146,1.06E-236,0,0.488694558,7.708592754,0.272732204,7.973992336,0.104498148,0.084850864,0.903818798,0.240124681,6.043416797,0.023303865,0.064014225,1.060706201,0.133523902,3.849851094,0.057192918,0.097116255,0.161449647,0.121288294,1.336322859,0.127877309,0.143936349,0.031414291,0.088310846,8.51E-04,2.23E-07,1.12E-32,1.09E-79,2.05E-148,7.44E-239,0,1.577539562,7.708617253,0.922793342,9.764914678,1.061260648,0.267565467,2.181957294,1.09671095,8.086920629,0.097314135,0.249522084,3.565088676,0.528823741,5.821877668,0.2217791,0.322956619,0.638025267,0.569010638,1.948380804,0.499328405,0.414105977,0.10203263,0.38600117,0.008871945,2.32E-06,1.17E-31,1.14E-78,2.14E-147,7.75E-238,0,5.496435526,7.708909852,3.746653372,30.15332894,12.77577003,0.966288897,6.820426914,7.853544413,20.01067594,0.616027762,1.863684713,14.85019376,3.068853313,14.86866186,1.23862997,2.291011453,3.750198532,4.208129893,4.756548679,2.824790466,2.332132005,0.363731284,2.61048955,0.10770235,2.82E-05,1.42E-30,1.38E-77,2.60E-146,9.41E-237,0,2.324997522,7.708648368,1.402905204,11.9694754,2.296521398,0.395868519,3.062036713,1.941680771,9.809271919,0.165768587,0.443065292,5.443137691,0.878328183,7.311939237,0.364450731,0.558785416,1.062879708,1.01817584,2.410873441,0.823457866,0.665707708,0.151036834,0.67100137,0.01927105,5.04E-06,2.54E-31,2.48E-78,4.65E-147,1.68E-237,0,7.032110653,7.709111766,5.059895931,44.09395252,20.89657161,1.257640405,8.654416907,12.06942037,26.63331736,0.926999625,2.900209451,20.24196754,4.541093837,19.2457497,1.81827955,3.555306092,5.565992386,6.49965593,6.115325251,4.158002727,3.487369091,0.469497352,3.974347714,0.176292849,4.61E-05,2.33E-30,2.27E-77,4.25E-146,1.54E-236,0,3.40076935,6.226446152,2.168974459,15.18784797,4.697756562,0.495910675,4.747080892,3.213193475,12.01423508,0.26044934,0.760557514,7.835240242,1.330271416,10.14767734,0.543125972,0.953087393,1.779496592,1.718486626,4.285383868,1.459202439,1.460671682,0.248076361,1.235387922,0.039471184,1.03E-05,5.21E-31,5.07E-78,9.52E-147,3.45E-237,0,13.73179825,0.813329515,0.441139405,0.916292102,0.054271655,0.52727823,0.624671825,0.533324247,14.98626717,17.58490582,37.49802821,0.874438153,1.685274302,13.00548891,0.3105245,0.095102699,0.969754404,0.023154262,0.473091501,0.091168081,0.024787077,13.41111611,5.304911754,19.10010229,0.954631606,0.589046658,13.2937743,0.510403437,0.232537247,0.947071613,0.036362029,0.494235815,0.246369727,0.148191971,14.03671498,9.995173579,25.60969752,0.920607419,0.888797513,13.7137988,0.800899559,0.432572511,0.917478443,0.053581658,0.52589863,0.605786719,0.512811149,14.94727087,17.26203494,36.96041209,0.876217664,1.644496497,13.42235243,0.599420243,0.293797481,0.937605159,0.041871908,0.50382047,0.339729569,0.236556976,14.31557015,12.16519125,28.84454717,0.906407738,1.080107015,13.78815556,0.852238561,0.467960062,0.912617972,0.056408431,0.531609944,0.685631974,0.600146397,15.10835419,18.60191761,39.20917589,0.868926958,1.817388315,13.82533389,0.800812008,0.432970157,0.918070745,0.053177889,0.53448697,0.605628373,0.513754393,15.05911606,17.40417808,37.25692036,0.877106117,1.653869736 +UMLYSI0144,L,isopropylcyclohexane,CC(C)C1CCCCC1,cyclic alkanes,C9H18,696-29-7,12763,PubChem,,74.7,0,-0.086,0.007396,34.709,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,1985.508851,1834.308513,1208.909357,605.601698,147.488544,12.192768,0,4371.159516,5876.91121,8672.178832,9469.851103,7575.105347,4667.158268,1955.543519,373.0049332,0,188.796996,195.98202,384.613004,548.203716,563.07506,434.0882,245.856384,80.621568,0,33.10313229,45.14389758,71.20205987,83.87350945,72.48554276,48.08460951,22.69537863,5.335354858,0,4469.666941,3897.355064,8328.753616,12565.07281,13511.29447,10802.27809,6339.08443,2219.011824,0,40.80555556,49.77777778,84.33333333,114.1666667,111.5,82.16666667,43,12,0,48.76541633,56.15943233,36.76868243,23.51677581,14.92480688,9.612725365,4.096904,1.016064,0,161.8947969,217.6633782,160.5959043,121.4083475,93.5198191,74.08187728,54.3206533,31.08374443,0,6.992481333,7.258593333,7.122463037,7.028252769,6.951543951,6.890288889,6.829344,6.718464,0,1.226041937,1.671996207,1.318556664,1.075301403,0.894883244,0.76324777,0.630427184,0.444612905,0,165.54322,144.3464838,154.2361781,161.0906771,166.8061046,171.4647315,176.0856786,184.917652,0,1.511316872,1.843621399,1.561728395,1.463675214,1.37654321,1.304232804,1.194444444,1,0,0.036407824,-0.003076168,-0.007014982,-0.010613783,-0.007278173,1.14E-04,0.002327761,0.007337676,0,726.396054,7.32E-13,-121.066009,-282.4873543,-201.7766817,-8.42E-13,80.71067267,161.4213453,0,1350.764481,-5.26E-13,-225.1274134,-525.297298,-375.2123557,7.11E-15,150.0849423,300.1698846,0,0.142296,2.04E-15,-0.023716,-0.055337333,-0.039526667,-1.68E-15,0.015810667,0.031621333,0,6.038545709,1.65E-14,-1.006424285,-2.348323331,-1.677373808,-1.42E-14,0.670949523,1.341899046,0,32.80147613,-2.00E-13,-5.466912688,-12.75612961,-9.111521147,1.84E-13,3.644608459,7.289216918,0,2.483539095,-0.854938272,0.144032922,-0.490512117,-0.28909465,-0.169410151,-0.021262003,0.439414723,0,0.001348438,-1.14E-04,-1.30E-04,-1.36E-04,-8.99E-05,1.81E-06,6.47E-05,6.11E-04,0,26.90355756,2.71E-14,-2.24196313,-3.621632748,-2.491070144,-1.34E-14,2.24196313,13.45177878,0,50.0283141,-1.95E-14,-4.169026175,-6.734580744,-4.632251305,1.13E-16,4.169026175,25.01415705,0,0.005270222,7.55E-17,-4.39E-04,-7.09E-04,-4.88E-04,-2.67E-17,4.39E-04,0.002635111,0,0.223649841,6.11E-16,-0.018637487,-0.030106709,-0.020708319,-2.26E-16,0.018637487,0.111824921,0,1.214869486,-7.40E-15,-0.101239124,-0.163540123,-0.112487915,2.92E-15,0.101239124,0.607434743,0,0.091982929,-0.03166438,0.002667276,-0.006288617,-0.00356907,-0.00268905,-5.91E-04,0.036617894,0,-0.084491955,-0.096338935,-0.100912429,-0.066635609,0.001339084,0.047951803,0.453467656,0,1.01E-15,-0.083333333,-0.134615385,-0.092592593,-4.97E-16,0.083333333,0.5,0,-3.89E-16,-0.083333333,-0.134615385,-0.092592593,2.25E-18,0.083333333,0.5,0,1.43E-14,-0.083333333,-0.134615385,-0.092592593,-5.06E-15,0.083333333,0.5,0,2.73E-15,-0.083333333,-0.134615385,-0.092592593,-1.01E-15,0.083333333,0.5,0,-6.09E-15,-0.083333333,-0.134615385,-0.092592593,2.40E-15,0.083333333,0.5,0,-0.344241922,0.028997514,-0.068367217,-0.038801436,-0.029234229,-0.006420878,0.398094449,0,1.530079947,1.211094284,1.118285243,0.989705134,0.843745748,0.658209306,0.003739006,0,1.444444444,1.283950617,1.166666667,0.989711934,0.791005291,0.601851852,0,0,1.444444444,1.283950617,1.166666667,0.989711934,0.791005291,0.601851852,0,0,1.444444444,1.283950617,1.166666667,0.989711934,0.791005291,0.601851852,0,0,1.444444444,1.283950617,1.166666667,0.989711934,0.791005291,0.601851852,0,0,1.444444444,1.283950617,1.166666667,0.989711934,0.791005291,0.601851852,0,0,1.874067937,0.856255178,1.0495029,0.998066832,0.994733105,0.799710025,0,0,40.14219446,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,1.78E-14,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,40.14219446,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,1.78E-14,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,40.14219446,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,1.78E-14,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,40.14219446,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,1.78E-14,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,40.14219446,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,1.78E-14,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,40.14219446,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,1.78E-14,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,47.10182096,23.36777262,35.37777518,47.00065498,5.222294998,23.36777262,-0.182098765,0.035273929,0.003919325,-3.01015003,47.79540835,5.310600928,3.480236618,0,11.9,12.1001487,-0.151156961,0.04901184,6.1114375,9.068755296,9,27,27,27,9,0,0,0,0,0,19.677726,3.664750317,3.219157313,2.750129472,2.592338226,2.333552793,1.499631818,1.456797487,1.151713741,2.013537918,1.716752167,1.372874417,1.258063942,1.249629723,0.666206401,0.635930541,0.505325169,3.687986481,3.252710913,2.792995694,2.638583645,2.405454588,1.589768807,1.556142907,1.269866432,1.96177185,1.644684894,1.285229005,1.165486243,1.134540686,0.522081792,0.49658748,0.351430425,3.790509853,3.400847878,2.981537655,2.841612656,2.704236987,1.965208078,1.9628467,1.738170588,1.811063426,1.43044514,1.018928274,0.881733676,0.76031856,0.037619229,0.035307892,0.178057588,3.705120264,3.277477673,2.824624264,2.672698925,2.457539916,1.655239663,1.62787375,1.354189917,1.928955643,1.598552216,1.228596505,1.105452968,1.058262671,0.425347018,0.403570735,0.247308696,3.840711395,3.473015731,3.072480534,2.939085759,2.838982085,2.141548494,2.133257619,1.937367216,1.764468612,1.363272377,0.933903671,0.790417671,0.631337262,0.126189495,0.135164289,0.372637902,3.698128699,3.36340787,2.854261372,2.724027945,2.713878329,1.758082461,1.74890333,1.498840181,1.920425873,1.499078803,1.160668036,1.011278079,0.807995976,0.266026078,0.257784547,0.072150721,0,0,0,0,0,2,5,2,0,0,0,0,0.102062073,0.058925565,0,0,0,0.102062073,0.058925565,0.5,0,0.166666667,0,0.5,0,0.166666667,0,1.040440115,1.054737854,1.040440115,1.040440115,1.054737854,1.040440115,6.690234444,4.304530453,3.642107032,2.592638956,1.800833459,1.250443623,0.451184464,0.23570226,0.743359383,0.478281161,0.331100639,0.216053246,0.150069455,0.104203635,0.075197411,0.058925565,6.690234444,4.304530453,3.642107032,2.592638956,1.800833459,1.250443623,0.451184464,0.23570226,0.743359383,0.478281161,0.331100639,0.216053246,0.150069455,0.104203635,0.075197411,0.058925565,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.2227,41.413,36.08872406,51.75280153,72.17744812,8.019716458,36.08872406,0.19041988,0.021157764,-1.492671377,35.89962077,3.988846752,3.222654059,69,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,4.714259259,0,7.462546296,0,0,0,1.989861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.35712963,0,1.488935185,0,0,0,0.935462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.35712963,0,1.497685185,0,0,0,1.054398148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.16666667,1.574074074,0.2,2.35712963,0.2,0.935462963,6.479198287,0.39787037,0.35712963,1.428518519,0.39787037,0.35712963,1.428518519,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.22222,0.22222,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,9.97476,1.10831,9.97476,0,0,4.30452,0.47828,4.30452,0,0,0.10948,0.01216,0.19548,0.02172,0.222222222,9,0,0,0,0,0,0,1,0.918295834,1.396802669,2.551778485,2.865274539,2.661208798,2.550821761,24.79398752,37.71367206,68.8980191,77.36241255,71.85263755,68.87218755,0.193126721,0.293761455,0.536664324,0.602595653,0.559678604,0.536463115,3.836591668,3.358084833,2.203109017,1.889612963,2.093678704,2.204065741,0.193126721,0.293761455,0.536664324,0.602595653,0.559678604,0.536463115,6.73287657,12.47495859,16.42966265,15.42446943,15.21880687,12.86442972,35.54887502,27.21134672,23.88525893,25.29835928,25.72319909,29.73478428,7.111111111,3.239669421,2,3,0,3,2.45,1.2681,0.5,2.68246152,2.828427125,0,6.083643419,4.745102806,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,4.165,11,12,12,12,6,4,0,0,0,75,2.302585093,2.48490665,2.564949357,2.564949357,2.564949357,1.945910149,1.609437912,0,0,0,4.33073334,1,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.111111111,3,0.333333333,0,3,5,0.666666667,1.5,0.888888889,0.4375,0.191111111,0.125,0,0,0,0,0,0.166666667,0.080808081,0.048611111,0.038222222,0.0625,0,0,0,0,0,0.396808081,20.07109723,29.89720831,40.14219446,4.460243829,20.07109724,0.030857049,0.003428561,-3.130551061,48.71948229,5.41327581,3.497471097,0,151.8638616,4.169925001,3.713572067,4.465908119,5.252273428,6.02827852,6.816735881,7.598399329,8.386400901,9.169830829,9.957265258,79.38866433,2.944438979,0,4.143134726,0,5.556828062,0,7.055312843,0,8.590257762,8.836955157,126.1408506,4.671883355,17.52861439,1.947623821,0,0,0,88,9,4.999,40,1.22699952,2.102062456,2.83197678,3.514067012,4.097457258,5.004203446,5.748921289,0,0,0,78.95148878,86.18511041,71.40133381,58.14924337,44.52003758,21.27286722,5.84127196,0,0,0,290.5400635,361.6396057,360.820155,343.7404246,326.6522086,277.6477373,178.6980001,0,0,0,8.938429587,15.02094699,19.95558373,24.45766187,28.31908648,34.20317975,38.62392072,0,0,0,2.17886504,2.914409346,3.158941835,3.233274784,3.294128701,3.20129471,2.556044594,0,0,0,175.1121323,320.7644033,452.2897494,584.1187481,695.8524241,878.95794,1063.077026,0,0,0,2.308999694,3.372944974,4.226930937,4.890072701,5.50374382,6.037864861,5.748921289,0,0,0,0.45089223,0.611642914,0.672940116,0.697845438,0.71906359,0.71326913,0.58868954,0,0,0,349.3292642,162.0024082,8.930833424,86.95552129,-40.32586245,-4.687805996,262.3737429,202.3282707,13.61863942,0.800690915,0.371322617,0.020470192,0.199309085,-0.092430137,-0.01074483,152.4070431,70.67918593,3.896386745,37.93737095,-17.59356025,-2.045218433,0.064933444,0.134373977,0.68806471,0.988856004,436.2847855,0,1,0,620.8036052,24.91593075,8.530701456,795.1702547,28.19876335,9.264458536,1092.564988,33.05397084,10.29949094,1.680324685,1.680324685,473.969352,427.83029,168.1634146,1.107844309,2.818504566,2.544134174,4.019304462,3.779648656,6.970405536,0.844194043,5.80083534,6.962468225,9.05018823,16.89334382,17.44905721,17.48262381,11.97472315,8.807939841,9.765871124,6.143337884,5.800147904,0.026069729,0.934935504,6.60E-13,9.16E-47,2.45E-102,1.27E-179,1.26E-278,0,0,0,0,0,0,0,0,0,0,0,0,0.427425031,6.522667268,0.674944612,6.756573561,0.852607223,2.151959771,1.200971686,1.33688221,0.569634207,0.249677484,0.080147897,2.79E-04,0.006584827,4.65E-15,6.45E-49,1.73E-104,8.93E-182,8.90E-281,0,0,0,0,0,0,0,0,0,0,0,0,1.417912608,6.552056574,2.210121915,7.831349357,3.10255621,4.396824764,2.111361122,2.080625853,1.964245975,0.981060516,0.526659584,0.002158156,0.068618976,4.84E-14,6.72E-48,1.80E-103,9.31E-181,9.27E-280,0,0,0,0,0,0,0,0,0,0,0,0,5.434259433,6.914182263,8.475768952,15.92100811,16.03053961,16.2312023,10.85924018,8.07418367,9.032178751,5.615682067,5.19488566,0.023293263,0.833010702,5.88E-13,8.16E-47,2.19E-102,1.13E-179,1.13E-278,0,0,0,0,0,0,0,0,0,0,0,0,2.129425833,6.590160505,3.315752554,8.864393866,4.984894294,6.200465831,3.118975319,2.823154367,3.064878233,1.623171333,1.04727417,0.004453348,0.149049586,1.05E-13,1.46E-47,3.91E-103,2.02E-180,2.01E-279,0,0,0,0,0,0,0,0,0,0,0,0,7.200815129,7.165503974,11.24705188,20.89287363,23.15819203,22.47133663,16.6225193,11.83852124,12.67622683,8.286455687,8.330794762,0.037709482,1.363515566,9.62E-13,1.34E-46,3.58E-102,1.85E-179,1.84E-278,0,0,0,0,0,0,0,0,0,0,0,0,3.654735808,6.141831075,5.189517117,11.86997331,8.837137873,10.31606385,5.674928835,4.868606607,5.638815644,3.232310894,2.444678472,0.011021885,0.377338675,2.66E-13,3.70E-47,9.90E-103,5.12E-180,5.10E-279,0,0,0,0,0,0,0,0,0,0,0,0,3.615945384,1.396271638,1.007648627,0.600668785,0.231943987,0.51828912,0.54501318,0.433491251,6.019865648,10.09939558,21.20671992,0.401003177,1.496793551,2.9156181,0.851050302,0.483862966,0.685942026,0.200222096,0.3375202,0.199222992,0.099103408,4.250531368,4.303889009,9.755047779,0.52891304,0.6358466,3.19373212,1.067185225,0.692336168,0.644774614,0.215451364,0.404700849,0.315254621,0.203750414,4.953253513,6.358290918,13.67123638,0.46716192,0.923705884,3.598604036,1.382733555,0.994724325,0.602169805,0.23137872,0.513348424,0.534278494,0.422386214,5.976061916,9.930968226,20.85668941,0.403254707,1.470013131,3.317713532,1.163703327,0.785068838,0.629967254,0.220963921,0.436605425,0.375939617,0.262388317,5.266485697,7.379055001,15.67656138,0.444950881,1.074933358,3.670237491,1.438668042,1.048097904,0.596107754,0.233663674,0.533909895,0.579349263,0.469176334,6.157003436,10.63488656,22.3261125,0.394161631,1.582435491,3.609648988,1.384978044,0.999360847,0.602211593,0.231061202,0.516490711,0.536745809,0.426588194,5.993987878,9.990719292,20.98079645,0.403317389,1.479824714 +UMLYSI0145,L,1-octyne,CCCCCCC#C,alkynes/alkadienes,C8H14,629-05-0,12370,PubChem,,74.1,0,-0.2734,0.07474756,30.1747,23.415102,0,0,22,8,14,0,8,0,0,0,0,0,0,0,0,0,1168.337864,1179.348079,1164.28335,1010.029949,815.305348,618.548619,421.79189,225.035161,50.46048,3823.307636,4570.930941,5543.450159,5325.632446,4381.00159,3374.203245,2367.4049,1360.606555,521.1139543,154.382624,152.43046,269.813976,342.096692,292.64872,229.76382,166.87892,103.99402,41.907456,28.53578067,35.11192034,47.01536668,48.22395873,40.09165568,31.07012682,22.04859796,13.0270691,5.34340305,3603.201977,3031.276161,5915.048498,8070.856175,6961.736324,5482.781169,4003.826014,2524.870859,982.3254949,51.5,50.75,67.5,80.25,70,57.75,46,33,16,53.10626655,56.15943233,30.63903553,20.6128561,19.4120321,18.74389755,17.57466208,15.00234407,8.41008,173.7867107,217.6633782,145.8802673,108.6863765,104.3095617,102.2485832,98.64187085,90.70710369,86.85232572,7.017392,7.258593333,7.100367789,6.981565143,6.967826667,6.96254,6.953288333,6.932934667,6.984576,1.297080939,1.671996207,1.237246492,0.984162423,0.95456323,0.941518994,0.918691582,0.868471273,0.890567175,163.781908,144.3464838,155.659171,164.7113505,165.7556268,166.1448839,166.8260839,168.3247239,163.7209158,2.340909091,2.416666667,1.776315789,1.637755102,1.666666667,1.75,1.916666667,2.2,2.666666667,0.066170033,-0.006401259,-0.030620264,-0.003615239,0.0040653,3.84E-04,0.005059751,-6.45E-04,-0.009823631,616.3360458,-49.02673092,-250.1363822,-19.01036505,12.00654635,11.00600082,10.00545529,9.00490976,-80.04364231,1146.103196,-91.16729966,-465.139284,-35.35058558,22.32668563,20.46612849,18.60557136,16.74501422,-148.8445709,0.120736,-0.009604,-0.049,-0.003724,0.002352,0.002156,0.00196,0.001764,-0.01568,5.123614541,-0.407560248,-2.079389018,-0.158033565,0.099810673,0.091493117,0.083175561,0.074858005,-0.665404486,27.8315555,-2.213873733,-11.29527415,-0.858440835,0.542173159,0.496992063,0.451810966,0.406629869,-3.614487728,10.59090909,1.16322314,-0.929752066,-0.452479339,-0.537190083,-0.886363636,-0.73553719,-0.47107438,-2.842975207,0.003007729,-3.05E-04,-8.06E-04,-7.38E-05,9.68E-05,1.16E-05,2.11E-04,-4.30E-05,-0.001637272,28.01527481,-2.334606234,-6.582536375,-0.387966634,0.285870151,0.333515176,0.41689397,0.600327317,-13.34060705,52.0955998,-4.341299984,-12.24050747,-0.721440522,0.531587753,0.620185712,0.77523214,1.116334282,-24.80742848,0.005488,-4.57E-04,-0.001289474,-7.60E-05,5.60E-05,6.53E-05,8.17E-05,1.18E-04,-0.002613333,0.23289157,-0.019407631,-0.054720764,-0.003225175,0.002376445,0.002772519,0.003465648,0.004990534,-0.110900748,1.265070705,-0.105422559,-0.297244057,-0.017519201,0.012908885,0.015060366,0.018825457,0.027108658,-0.602414621,0.481404959,0.055391578,-0.02446716,-0.009234272,-0.01279024,-0.026859504,-0.030647383,-0.031404959,-0.473829201,-0.1013462,-0.267908605,-0.02453027,0.032181378,0.00386842,0.070093735,-0.014302925,-0.5443549,-0.083333333,-0.234962406,-0.013848397,0.010204082,0.011904762,0.014880952,0.021428571,-0.476190476,-0.083333333,-0.234962406,-0.013848397,0.010204082,0.011904762,0.014880952,0.021428571,-0.476190476,-0.083333333,-0.234962406,-0.013848397,0.010204082,0.011904762,0.014880952,0.021428571,-0.476190476,-0.083333333,-0.234962406,-0.013848397,0.010204082,0.011904762,0.014880952,0.021428571,-0.476190476,-0.083333333,-0.234962406,-0.013848397,0.010204082,0.011904762,0.014880952,0.021428571,-0.476190476,0.115062334,-0.050824486,-0.019181922,-0.026568567,-0.055793991,-0.063662375,-0.065236052,-0.984263233,1.126897613,1.017198099,0.694134128,0.786246664,0.911203435,1.039255213,1.568208123,3.053577917,1.375,1.302631579,0.926020408,0.883928571,0.875,0.859375,0.825,1.375,1.375,1.302631579,0.926020408,0.883928571,0.875,0.859375,0.825,1.375,1.375,1.302631579,0.926020408,0.883928571,0.875,0.859375,0.825,1.375,1.375,1.302631579,0.926020408,0.883928571,0.875,0.859375,0.825,1.375,1.375,1.302631579,0.926020408,0.883928571,0.875,0.859375,0.825,1.375,0.849785408,0.54788796,0.728387492,0.826180258,1.021459227,1.321888412,1.916738197,4.626609442,40.98770734,20.49385367,33.35390971,40.98770734,5.123463417,20.49385367,1.07E-14,0.072265229,0.009033154,-2.101929756,32.6354243,4.079428038,2.788318667,40.98770734,20.49385367,33.35390971,40.98770734,5.123463417,20.49385367,1.07E-14,0.072265229,0.009033154,-2.101929756,32.6354243,4.079428038,2.788318667,40.98770734,20.49385367,33.35390971,40.98770734,5.123463417,20.49385367,1.07E-14,0.072265229,0.009033154,-2.101929756,32.6354243,4.079428038,2.788318667,40.98770734,20.49385367,33.35390971,40.98770734,5.123463417,20.49385367,1.07E-14,0.072265229,0.009033154,-2.101929756,32.6354243,4.079428038,2.788318667,40.98770734,20.49385367,33.35390971,40.98770734,5.123463417,20.49385367,1.07E-14,0.072265229,0.009033154,-2.101929756,32.6354243,4.079428038,2.788318667,40.98770734,20.49385367,33.35390971,40.98770734,5.123463417,20.49385367,1.07E-14,0.072265229,0.009033154,-2.101929756,32.6354243,4.079428038,2.788318667,66.08619873,32.34516094,53.85219756,65.60286539,8.200358174,32.34516094,-0.966666667,0.130289162,0.016286145,-1.630399181,33.42189358,4.177736698,2.807368945,0,11.69,12.31003934,-0.42298357,0.197214494,4.303055109,7.105963639,7,21,20,20,6,0,0,1,0,1,15.304898,3.501656631,3.262054573,2.855034817,2.340964818,1.818129763,1.394676134,1.1387503,0.309280163,1.89553741,1.681014114,1.383208254,1.082583786,0.828492947,0.637263069,0.524986126,0.083923071,3.526363255,3.288099724,2.891722952,2.3959536,1.89703543,1.498791624,1.261553679,0.443798515,1.83565292,1.615221419,1.307157659,0.985681691,0.703285697,0.491352246,0.368569834,0.270913902,3.639331989,3.405843108,3.050937162,2.631482646,2.228123674,1.920436488,1.743536691,0.956385838,1.662555825,1.430127078,1.082268459,0.676798203,0.290425354,0.002719486,0.170806825,0.943918427,3.544827076,3.307430318,2.918652159,2.436221305,1.954469589,1.573667286,1.348843628,0.538809313,1.79772084,1.57398301,1.258737904,0.921935964,0.619749297,0.393164647,0.262688294,0.399277246,3.696284651,3.465588269,3.127129879,2.740849708,2.377714939,2.103799317,1.94702925,1.207644823,1.610136364,1.375422734,1.010955214,0.573055757,0.147120341,0.180577452,0.369975265,1.16125544,3.790990452,3.301858396,2.939052712,2.441938427,1.946032126,1.568336393,1.354386427,0.692360567,1.919368775,1.603310724,1.189891974,0.79128148,0.493474731,0.318775731,0.218852085,0.5,1,1,0,0,0,1,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.612884175,3.349335306,2.014784317,1.174667653,0.653838768,0.337333827,0.139419384,0.051031036,0.701610522,0.478476472,0.335797386,0.234933531,0.163459692,0.112444609,0.069709692,0.051031036,11.79279463,21.21485798,20.07843137,20.32,13.58988144,167.9404802,0.536036119,0.964311726,0.912655971,0.923636364,0.617721884,7.633658193,2.66959,36.947,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,1,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,6,1,0,0,0,0,0,0,0,0,0,0,1,0,5,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561288974,0,0,7.687335601,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561288974,0,0,0,0,1.594609552,0.380555556,0,0,0,0,0,0,0,0,0,0,2.204240363,0,6.108424036,5.06074263,0,0,0,0,2.626592971,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561288974,0,0,2.626592971,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561288974,0,0,0,0,0.218016582,0.380555556,0,0,0,0,0,0,0,0,0,0,2.204240363,0,0.958333333,5.06074263,0,0,0,0,2.626592971,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561288974,0,0,5.06074263,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561288974,0,0,0,0,0.380555556,0.380555556,0,0,0,0,0,0,0,0,0,0,2.204240363,0,1.335,5.06074263,0,0,0,0,2.626592971,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,2,0.561288974,5.06074263,0.218016582,0.958333333,4.847287687,0.541666667,1.06074263,2.783151927,0.541666667,1.06074263,2.783151927,4,0.5,0,0,0.44545,0.7,0.42308,0.42308,0.7,0.02238,0.02238,0,0,0.71429,0,0,0.25,0,0,5.5,0.6875,3.5,0.4375,2,0.25,-1.5,-0.1875,0,0,6.25508,0.78188,7.95768,1.7026,0.21283,3.17836,0.3973,3.91421,0.73585,0.09198,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,1,0.945660305,1.909171785,2.970573096,3.390805482,3.11353887,2.895505621,20.8045267,42.00177927,65.35260811,74.59772061,68.49785514,63.70112365,0.212058483,0.428119982,0.666132671,0.760367188,0.698191863,0.649299253,3.513771314,2.550259833,1.488858523,1.068626137,1.345892749,1.563925998,0.209052139,0.422050544,0.656688938,0.749587497,0.688293628,0.640094167,6.786633838,15.75199389,19.8195666,18.86662344,15.96649656,18.36744784,31.28312609,21.63003896,17.32440458,18.19081909,22.08604088,19.43655014,8,7,7.2,8,2,8,2.34,1.1498,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.085,0.106,0.096,0.236,0.184,3.278,6,5,4,3,2,1,0,0,0,36,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,0,0,0,3.931825633,1.388888889,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,5,0.714285714,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,141.6514183,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,110.1095504,5.004979566,14.83110795,1.853888494,0,0,0,84,5,3.757,26,1.231238095,2.147854781,2.901329138,3.673667757,4.975630376,6.054506166,7.351678726,8.804398433,9.691616274,0,79.70770648,74.17536608,72.02381284,90.81492161,109.8526505,124.0809616,122.5762112,74.86910971,9.847302398,0,292.6733596,336.8430026,347.495688,446.5662818,560.0132218,654.9118249,709.8567202,770.8929973,301.2517234,0,8.970853788,15.30229913,20.31766333,25.77201657,34.77484566,42.25849982,51.09812682,61.52462483,65.11277504,0,2.192520915,2.799766238,3.043324385,3.916871522,5.009342412,5.936235431,6.671353127,7.890570727,4.309017664,0,175.620724,330.6353515,473.5971949,595.9238046,816.9653639,998.1317097,1227.691424,1439.103658,1792.150926,0,3.030547619,3.966364773,4.955395511,6.563890727,9.143904942,12.21867053,16.91505556,23.50671583,9.691616274,0,0.453629643,0.590642631,0.649284717,0.835472457,1.072492148,1.273749112,1.440312963,1.71944285,0.992421506,0,385.3307707,190.7938327,15.2888325,214.5427003,-106.2293156,-17.412782,170.7880704,297.0231483,32.70161451,0.642353412,0.318056793,0.025486762,0.357646588,-0.177086204,-0.029027425,231.1497068,114.4521586,9.171365019,128.6984743,-63.72414827,-10.44546598,0.249058451,0.241647419,12.81552284,11.54361843,599.8734709,0,1,0,475.0763511,21.79624626,7.802871785,611.1079801,24.7205983,8.48605779,705.7968942,26.56683824,8.9034826,2.816948797,2.816948797,912.5979228,881.837284,50.77765269,1.034882443,17.97243225,17.36664137,4.43367814,5.645455692,10.0483478,0.779900216,4.081736643,5.656828977,2.379319309,19.78143002,7.876493693,2.604267173,3.530276234,7.228041612,8.944197005,0.632761025,4.868511948,4.926257734,3.791462088,2.176761048,1.727059559,1.758529162,1.838471724,0.282775253,1.583117746,2.77E-09,9.32E-40,6.06E-92,7.60E-166,1.84E-261,0,0,0,0,0,0,0.352785717,5.656557618,0.173233238,4.853890686,0.05874647,1.129130348,0.472320222,0.263443287,3.386946845,0.023210782,1.098361112,0.267905502,0.137359549,0.699145326,0.144940147,0.661177082,0.080993355,0.023731368,0.011150028,1.95E-11,6.57E-42,4.27E-94,5.35E-168,1.29E-263,0,0,0,0,0,0,1.113944099,5.656576268,0.576644386,5.929233404,0.586429744,1.420567081,1.096197947,1.076542382,4.20431797,0.094624231,1.72055741,0.946926396,0.562536758,1.000746678,0.467884449,0.745234566,0.309753798,0.076607747,0.116191886,2.03E-10,6.84E-41,4.45E-93,5.58E-167,1.35E-262,0,0,0,0,0,0,3.853452939,5.656799367,2.227673324,18.17005946,7.020043505,2.510539378,3.342958465,6.586398294,8.491848362,0.576692056,4.585570731,4.544905893,3.454306443,2.086298397,1.630203342,1.64184552,1.68489812,0.266916772,1.41052941,2.46E-09,8.31E-40,5.40E-92,6.77E-166,1.64E-261,0,0,0,0,0,0,1.636455467,5.65659998,0.867498494,7.252856947,1.265804494,1.623500527,1.52456436,1.815392764,4.859536173,0.15938672,2.191433419,1.493770283,0.949630948,1.207789971,0.689575587,0.844487132,0.505383936,0.112905724,0.252384302,4.41E-10,1.49E-40,9.66E-93,1.21E-166,2.93E-262,0,0,0,0,0,0,4.926968446,5.656953365,2.959633945,26.53958844,11.4765673,2.955183273,4.223956666,9.848187287,10.74636444,0.861651509,5.975311619,6.447426739,5.168616301,2.511708152,2.085674534,2.246764848,2.45929481,0.341492071,2.308828448,4.03E-09,1.36E-39,8.84E-92,1.11E-165,2.68E-261,0,0,0,0,0,0,1.937014426,3.702928897,1.015146714,7.00265839,1.985728105,3.049940358,1.68433172,2.152574604,5.048444705,0.190464846,3.873864663,2.091420171,1.137672353,2.331210913,1.231924063,1.582175708,1.123426881,0.141387678,0.395779436,6.92E-10,2.33E-40,1.51E-92,1.90E-166,4.59E-262,0,0,0,0,0,0,8.007726908,0.85559955,0.451399916,0.85968461,0.091854502,0.473274766,0.608600576,0.545442758,9.314726373,10.85231236,23.25976351,0.789526915,1.6273181,8.199070434,0.370227733,0.090837065,0.946760093,0.042750803,0.494339694,0.111896163,0.022087798,8.660135232,3.813933155,12.74980641,0.920140139,0.628323655,8.125789893,0.555473569,0.228138568,0.912046607,0.062346897,0.486139434,0.2539576,0.139323268,8.909402031,6.494192529,16.43333483,0.868069911,0.879420302,8.012744724,0.842797073,0.441853694,0.861826813,0.090648728,0.473812134,0.590332708,0.522616615,9.297395491,10.66597166,22.9472572,0.792740219,1.586761456,8.091994754,0.641159572,0.291771621,0.896627274,0.071043195,0.482411377,0.339480163,0.227883209,9.024925947,7.736346485,18.27505943,0.844940912,1.049774749,7.991921195,0.895955676,0.48150575,0.85298269,0.095625903,0.471587885,0.667998804,0.620624889,9.369382621,11.43997098,24.25713082,0.779474035,1.760211578,8.148195758,0.842513041,0.440715894,0.863941135,0.089330411,0.48957452,0.588410782,0.519928542,9.431424694,10.82730946,23.28423166,0.795911703,1.597913844 +UMLYSI0146,L,"2,3,3-trimethyl-1-butene",CC(=C)C(C)(C)C,alkenes,C7H14,594-56-9,11669,PubChem,,72.8,0,2.7101,7.34464201,33.556,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1481.085153,1313.546982,433.064016,45.72288,0,0,0,3399.790734,4147.41404,5822.053423,6786.356216,4812.071906,1398.768499,0,0,0,146.842108,144.889944,254.851524,308.59548,456.591168,302.33088,0,0,0,25.74688067,32.32302034,46.4696881,57.93453947,51.41918809,20.00758072,0,0,0,3476.407621,2904.481805,5688.794349,6426.300402,11155.32659,8321.294341,0,0,0,43.34027778,47.91666667,66.83333333,100.25,108,45,0,0,0,48.76541633,51.7541979,41.14125425,30.54760423,6.561576,1.016064,0,0,0,161.8947969,207.370702,161.7237062,157.8222376,72.9101804,31.08374443,0,0,0,6.992481333,7.2444972,7.079209,7.17663907,6.918048,6.718464,0,0,0,1.226041937,1.616151017,1.29082467,1.347314871,0.779078607,0.444612905,0,0,0,165.54322,145.2240902,158.0220653,149.4488466,169.0200999,184.917652,0,0,0,2.063822751,2.395833333,1.856481481,2.331395349,1.636363636,1,0,0,0,0.040156877,-0.011460777,0.02133683,-0.031997989,-0.038479845,0.040523342,0,0,0,564.9747087,-53.80711511,282.4873543,-672.5889389,-443.9086997,605.330045,0,0,0,1050.594596,-100.0566282,525.297298,-1250.707852,-825.4671826,1125.637067,0,0,0,0.110674667,-0.010540444,0.055337333,-0.131755556,-0.086958667,0.11858,0,0,0,4.696646663,-0.447299682,2.348323331,-5.591246027,-3.690222378,5.032121424,0,0,0,25.51225921,-2.429738973,12.75612961,-30.37173716,-20.04534652,27.33456344,0,0,0,6.228835979,-3.147833207,4.052484883,-2.227166793,-6.67356387,4.881660998,0,0,0,0.001912232,-5.73E-04,5.93E-04,-7.44E-04,-5.83E-04,9.01E-04,0,0,0,26.90355756,-2.690355756,7.846870954,-15.64160323,-6.725889389,13.45177878,0,0,0,50.0283141,-5.00283141,14.59159161,-29.08622913,-12.50707852,25.01415705,0,0,0,0.005270222,-5.27E-04,0.001537148,-0.003064083,-0.001317556,0.002635111,0,0,0,0.223649841,-0.022364984,0.065231204,-0.130028977,-0.05591246,0.111824921,0,0,0,1.214869486,-0.121486949,0.354336934,-0.706319469,-0.303717372,0.607434743,0,0,0,0.296611237,-0.15739166,0.112569025,-0.051794577,-0.101114604,0.108481356,0,0,0,-0.299670118,0.309946524,-0.389146922,-0.304893902,0.470925393,0,0,0,-0.1,0.291666667,-0.581395349,-0.25,0.5,0,0,0,-0.1,0.291666667,-0.581395349,-0.25,0.5,0,0,0,-0.1,0.291666667,-0.581395349,-0.25,0.5,0,0,0,-0.1,0.291666667,-0.581395349,-0.25,0.5,0,0,0,-0.1,0.291666667,-0.581395349,-0.25,0.5,0,0,0,-0.530632831,0.37951706,-0.174621087,-0.340899438,0.365735825,0,0,0,1.605932855,0.624845364,1.686388322,1.194557626,0.089586859,0,0,0,1.5,0.833333333,1.843853821,1.071428571,0,0,0,0,1.5,0.833333333,1.843853821,1.071428571,0,0,0,0,1.5,0.833333333,1.843853821,1.071428571,0,0,0,0,1.5,0.833333333,1.843853821,1.071428571,0,0,0,0,1.5,0.833333333,1.843853821,1.071428571,0,0,0,0,1.906455723,0.34530509,1.467760893,1.459487635,0,0,0,0,23.01945622,11.50972811,16.32996587,23.01945622,3.288493746,11.50975494,1.78E-15,0.020465962,0.002923709,-2.722294498,20.11403613,2.873433732,2.10099252,23.01945622,11.50972811,16.32996587,23.01945622,3.288493746,11.50975494,1.78E-15,0.020465962,0.002923709,-2.722294498,20.11403613,2.873433732,2.10099252,23.01945622,11.50972811,16.32996587,23.01945622,3.288493746,11.50975494,1.78E-15,0.020465962,0.002923709,-2.722294498,20.11403613,2.873433732,2.10099252,23.01945622,11.50972811,16.32996587,23.01945622,3.288493746,11.50975494,1.78E-15,0.020465962,0.002923709,-2.722294498,20.11403613,2.873433732,2.10099252,23.01945622,11.50972811,16.32996587,23.01945622,3.288493746,11.50975494,1.78E-15,0.020465962,0.002923709,-2.722294498,20.11403613,2.873433732,2.10099252,23.01945622,11.50972811,16.32996587,23.01945622,3.288493746,11.50975494,1.78E-15,0.020465962,0.002923709,-2.722294498,20.11403613,2.873433732,2.10099252,36.11052007,17.84414892,26.17595947,35.80893277,5.115561824,17.84414896,-0.422222222,0.076894926,0.010984989,-1.795720768,19.13488141,2.733554488,2.066059045,0,11.89,12.11009426,-0.148521395,0.075008929,6.113608975,9.084888987,6,20,19,19,5,1,1,0,0,1,15.304898,3.619371295,2.953347622,2.333552793,2.333552793,2.225322918,0.977127045,0.083923071,0.083923071,1.927005095,1.52948598,1.249629723,1.249629723,1.112399965,0.045491371,0.083923071,0.083923071,3.637760192,2.991875462,2.405454588,2.405454588,2.294225232,1.064312868,0.270913902,0.270913902,1.877329382,1.44647093,1.134540686,1.134540686,1.000294617,0.148662881,0.270913902,0.270913902,3.722590248,3.163443782,2.704236987,2.704236987,2.582340748,1.411894457,0.943918427,0.943918427,1.740319726,1.197865034,0.76031856,0.76031856,0.636663489,0.526334294,0.943918427,0.943918427,3.651517155,3.020418018,2.457539916,2.457539916,2.344258586,1.126803921,0.399277246,0.399277246,1.846492744,1.393125338,1.058262671,1.058262671,0.926052429,0.220504568,0.399277246,0.399277246,3.766311832,3.247382844,2.838982085,2.838982085,2.71295285,1.558158691,1.207644823,1.207644823,1.700471972,1.119779056,0.631337262,0.631337262,0.51182397,0.67020325,1.207644823,1.207644823,3.628379077,3.091825682,2.505389412,2.504705503,2.504705503,1.083368948,0.502994012,0.502994012,1.904615159,1.327202216,0.995723467,0.995723467,0.751411325,0.171271569,0.502994012,0.502994012,0,0,1,0,1,4,0,0,1,0,0,0,0,0,0,0,0,0,0,1.654700538,0.288675135,0.866025404,0.288675135,1.426776695,0.25,0.530330086,0.176776695,2.598076211,0.577350269,0,1.810660172,0.426776695,0,6.077350269,2.943375673,3.520725942,1.732050808,0,0,0,0,0.868192896,0.490562612,0.391191771,0.288675135,0,0,0,0,5.707106781,2.603553391,3.030330086,1.280330086,0,0,0,0,0.815300969,0.433925565,0.336703343,0.213388348,0,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,29,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,3,1,0,1,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.069444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.347569444,0,0,0,0.730208333,0.290277778,0,0.347569444,0,0,0,0,0,0,0,0,8.541666667,3.826388889,0,0,0,0,0,0,0,1.243055556,0,0,0.305555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.243055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.347569444,0,0,0,0.243402778,0.290277778,0,0.347569444,0,0,0,0,0,0,0,0,2.055555556,3.826388889,0,0,0,0,0,0,0,1.243055556,0,0,0.305555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.826388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.347569444,0,0,0,0.243402778,0.290277778,0,0.347569444,0,0,0,0,0,0,0,0,2.162037037,3.826388889,0,0,0,0,0,0,0,1.243055556,0,0,0.305555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.91666667,1.988095238,0.347569444,3.826388889,0.041666667,0.305555556,4.806381944,0.944444444,0.826388889,2.736111111,0.944444444,0.826388889,2.736111111,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.71429,0.14286,0.14286,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.8602,0.98003,8.30939,1.44919,0.20703,2.42902,0.347,2.94337,0.51435,0.07348,0.47063,0.06723,0.47063,0.06723,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.022106113,2.485693612,2.485693612,2.067377667,1.248011019,19.28421252,42.46422837,52.19956586,52.19956586,43.41493102,26.2082314,0.209068641,0.460373402,0.565918483,0.565918483,0.470680388,0.284134979,3.474021589,2.37021131,1.90662381,1.90662381,2.324939755,3.144306404,0.209068641,0.460373402,0.565918483,0.565918483,0.470680388,0.284134979,6.73287657,15.64275278,16.10996786,16.10996786,11.09017652,1.257776745,27.64912502,18.42100773,18.802954,18.802954,16.29305833,6.564250006,7,1.851851852,2.666666667,7,2,4,2.23,1.0519,3.920263408,0,3.298769777,3.789291416,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.155,0.135,0.064,0.154,2.725,9,6,0,0,0,0,0,0,0,28,2.079441542,2.48490665,2.302585093,0,0,0,0,0,0,0,3.555348061,1.214285714,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,5,0.833333333,0,2,3,0.5,3.5,1.333333333,0,0,0,0,0,0,0,0,0.583333333,0.148148148,0,0,0,0,0,0,0,0,0.731481481,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,0,126.9918924,3.807354922,3.433987204,4.110873864,4.934473933,5.666426688,6.475432717,7.221835825,8.026496939,8.776630098,9.580040124,71.22619739,2.564949357,0,3.891820298,0,5.379897354,0,6.91671502,0,8.466531277,8.706821323,98.10955045,4.671883355,12.29305504,1.75615072,0,0,0,42,6,3.228,30,1.2229,2.116561414,3.011412209,3.521725732,4.026504672,0,0,0,0,0,73.6156376,100.3594849,96.81001708,23.925122,4.091186443,0,0,0,0,0,277.7186352,379.2035108,486.5262772,262.9321786,125.1588422,0,0,0,0,0,8.892335553,15.06307534,21.62723733,24.39287347,27.05192669,0,0,0,0,0,2.107286619,2.954224617,4.118405739,2.792979861,1.790235939,0,0,0,0,0,175.5375183,328.8078369,449.0921268,592.9001607,744.5717898,0,0,0,0,0,2.9767125,4.187724238,7.124976389,5.848761227,4.026504672,0,0,0,0,0,0.4370085,0.617107812,0.870011179,0.61305613,0.412314078,0,0,0,0,0,351.1211501,141.6346931,10.85549502,167.1810312,-67.43721939,-11.43586148,183.940119,209.0719125,22.2913565,0.677444863,0.273266635,0.020944336,0.322555137,-0.13011178,-0.022064081,181.986858,73.40957036,5.626426746,86.65029312,-34.95285791,-5.927231951,0.132502459,0.245942531,4.223896361,11.74879808,518.3021813,0,1,0,395.3145785,19.88251942,7.339181199,531.3577082,23.05119754,8.099576812,689.4601971,26.25757409,8.834250974,1.148891779,1.117485267,260.8016125,212.0302183,160.182701,1.230020959,1.628150923,1.323677382,3.640420319,3.201922285,5.27386672,0.647093918,4.068092278,4.929674236,5.374655805,14.05417779,7.041797296,15.08027083,12.26793421,10.95634938,3.191534082,0.018065918,2.85E-23,1.06E-65,8.06E-130,1.20E-215,4.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.341405495,4.913902949,0.239361455,8.697665973,1.950413763,2.674271062,0.690854886,0.36651712,0.022478241,1.27E-04,2.01E-25,7.46E-68,5.68E-132,8.48E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.102080425,4.91495732,0.912180587,9.790134,2.334549912,4.475252122,2.233555244,1.547531851,0.234240558,0.001325936,2.09E-24,7.78E-67,5.92E-131,8.84E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.839939651,4.927942865,4.927471291,13.72593396,6.498345355,14.06205773,11.26895334,9.961145127,2.843599412,0.016096408,2.54E-23,9.44E-66,7.18E-130,1.07E-215,4.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.62426624,4.916323911,1.485515025,10.54034932,2.792767145,5.928721514,3.536172836,2.649420631,0.50880178,0.002880111,4.54E-24,1.69E-66,1.29E-130,1.92E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.912847316,4.936954308,7.181169419,15.26988254,9.317102539,19.14402038,16.29625688,15.03502431,4.654552496,0.026347444,4.16E-23,1.54E-65,1.18E-129,1.76E-215,5.9E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.240893204,3.26173207,1.916776138,11.05606323,3.303131885,8.556682676,5.184381535,3.882992803,0.807467638,0.004570731,7.21E-24,2.68E-66,2.04E-130,3.05E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.257484076,1.718760446,1.028185129,0.451097175,0.343447818,0.529637478,0.528444755,0.408481366,5.004429652,7.968389826,16.96225421,0.191817489,1.466563599,1.599781838,1.068335754,0.567709854,0.494396523,0.330158444,0.27787667,0.221926301,0.124532563,3.235827447,3.223820786,7.429923493,0.241594784,0.624335534,1.856788841,1.330874231,0.750595763,0.471474557,0.337934678,0.368459881,0.338089443,0.217691826,3.938258836,4.863798818,10.65689419,0.214113853,0.92424115,2.24078289,1.703076088,1.016785066,0.45171209,0.343317536,0.522429297,0.520537307,0.399473471,4.960644044,7.82628067,16.66720404,0.192544439,1.442440076,1.973145088,1.446100823,0.832115506,0.464120759,0.340150056,0.412773853,0.393135034,0.267545133,4.251361417,5.698574278,12.3242664,0.206406222,1.07345402,2.309901402,1.767733615,1.063875681,0.449265116,0.343815995,0.552548799,0.553207266,0.437332079,5.141510698,8.421387088,17.9070111,0.189621667,1.543088143,2.242849389,1.709910305,1.015618166,0.451424882,0.344158668,0.525066026,0.529365171,0.398557107,4.968377861,7.849565837,16.71291176,0.193375325,1.452988304 +UMLYSI0147,L,n-dodecane,CCCCCCCCCCCC,linear alkanes,C12H26,112-40-3,8182,PubChem,,71.7,0,-2.7774,7.71395076,40.9134,38.456618,0,0,38,12,26,0,12,0,0,0,0,0,0,0,0,0,1757.587116,1901.689619,2015.824282,1855.645857,1658.889128,1462.132399,1265.37567,1068.618941,871.862212,5890.380176,7641.837945,10010.39328,10122.60974,9115.811391,8109.013046,7102.214701,6095.416356,5088.618011,265.166256,268.004108,510.311656,689.29146,626.40656,563.52166,500.63676,437.75186,374.86696,45.02673553,59.63005206,86.22584474,93.21038045,84.18885159,75.16732273,66.14579387,57.12426502,48.10273616,6329.391226,5375.924158,11270.26319,16448.34351,14969.38835,13490.4332,12011.47804,10532.52289,9053.567731,56.5,68.25,111,134.75,122.5,110.25,98,85.75,73.5,46.25229253,51.39701673,27.99755947,18.74389755,18.43210142,18.05101727,17.57466208,16.96220541,16.14559652,155.0100046,206.5361607,139.03324,102.2485832,101.2867932,100.1112722,98.64187085,96.75264057,94.23366687,6.978059368,7.24335427,7.087661889,6.96254,6.960072889,6.957057531,6.953288333,6.948442222,6.941980741,1.184914093,1.611623029,1.197581177,0.941518994,0.935431684,0.927991639,0.918691582,0.906734365,0.89079141,166.562927,145.2952475,156.5314332,166.1448839,166.3265372,166.548558,166.8260839,167.1829029,167.6586617,1.486842105,1.844594595,1.541666667,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,0.054072211,-0.004413885,-0.025307803,-9.91E-05,-2.82E-06,-2.44E-08,3.61E-09,9.63E-08,1.51E-06,994.0156528,-56.67633108,-443.3497615,-9.054798457,-9.390161363,-9.725524269,-10.06088717,-10.39625008,-10.73161299,1848.414552,-105.3920578,-824.4278132,-16.83778438,-17.46140603,-18.08502767,-18.70864932,-19.33227096,-19.9558926,0.194720842,-0.011102504,-0.086849175,-0.001773773,-0.001839468,-0.001905163,-0.001970859,-0.002036554,-0.002102249,8.263273076,-0.471151535,-3.685575913,-0.07527273,-0.078060609,-0.080848488,-0.083636367,-0.086424246,-0.089212125,44.88623049,-2.559302616,-20.02010685,-0.408882666,-0.424026469,-0.439170271,-0.454314074,-0.469457876,-0.484601679,3.210526316,-0.652354571,-1.188365651,0.030470914,0.027700831,0.024930748,0.022160665,0.019390582,0.016620499,0.001422953,-1.19E-04,-3.51E-04,-1.00E-06,-3.13E-08,-3.01E-10,5.01E-11,1.53E-09,2.80E-08,26.15830665,-1.531792732,-6.157635576,-0.091462611,-0.104335126,-0.120068201,-0.139734544,-0.165019843,-0.198733574,48.64248822,-2.848433995,-11.45038629,-0.17007863,-0.194015623,-0.223271947,-0.259842352,-0.306861444,-0.369553567,0.005124233,-3.00E-04,-0.001206239,-1.79E-05,-2.04E-05,-2.35E-05,-2.74E-05,-3.23E-05,-3.89E-05,0.217454555,-0.012733825,-0.051188554,-7.60E-04,-8.67E-04,-9.98E-04,-0.001161616,-0.001371813,-0.001652076,1.181216592,-0.069170341,-0.27805704,-0.004130128,-0.004711405,-0.005421855,-0.006309918,-0.007451712,-0.008974105,0.084487535,-0.017631205,-0.016505078,3.08E-04,3.08E-04,3.08E-04,3.08E-04,3.08E-04,3.08E-04,-0.083835647,-0.247019607,-7.04E-04,-2.20E-05,-2.12E-07,3.52E-08,1.07E-06,1.97E-05,-0.058558559,-0.23539886,-0.003496503,-0.003988604,-0.00459006,-0.00534188,-0.006308506,-0.007597341,-0.058558559,-0.23539886,-0.003496503,-0.003988604,-0.00459006,-0.00534188,-0.006308506,-0.007597341,-0.058558559,-0.23539886,-0.003496503,-0.003988604,-0.00459006,-0.00534188,-0.006308506,-0.007597341,-0.058558559,-0.23539886,-0.003496503,-0.003988604,-0.00459006,-0.00534188,-0.006308506,-0.007597341,-0.058558559,-0.23539886,-0.003496503,-0.003988604,-0.00459006,-0.00534188,-0.006308506,-0.007597341,-0.208684094,-0.195355191,0.003642987,0.003642987,0.003642987,0.003642987,0.003642987,0.003642987,1.609035919,1.418249548,0.936982518,0.934596942,0.93244755,0.929787539,0.926366832,0.921789145,1.583333333,1.439547721,0.955905206,0.951353276,0.945789807,0.93883547,0.92989418,0.91797246,1.583333333,1.439547721,0.955905206,0.951353276,0.945789807,0.93883547,0.92989418,0.91797246,1.583333333,1.439547721,0.955905206,0.951353276,0.945789807,0.93883547,0.92989418,0.91797246,1.583333333,1.439547721,0.955905206,0.951353276,0.945789807,0.93883547,0.92989418,0.91797246,1.583333333,1.439547721,0.955905206,0.951353276,0.945789807,0.93883547,0.92989418,0.91797246,1.790983607,1.200478142,0.814870012,0.832331512,0.853673345,0.880350638,0.914650013,0.960382514,99.25747698,49.62873849,78.97647876,99.25747698,8.271456415,49.62873849,-1.42E-14,0,0,0,68.72631161,5.727192634,5.076158542,99.25747698,49.62873849,78.97647876,99.25747698,8.271456415,49.62873849,-1.42E-14,0,0,0,68.72631161,5.727192634,5.076158542,99.25747698,49.62873849,78.97647876,99.25747698,8.271456415,49.62873849,-1.42E-14,0,0,0,68.72631161,5.727192634,5.076158542,99.25747698,49.62873849,78.97647876,99.25747698,8.271456415,49.62873849,-1.42E-14,0,0,0,68.72631161,5.727192634,5.076158542,99.25747698,49.62873849,78.97647876,99.25747698,8.271456415,49.62873849,-1.42E-14,0,0,0,68.72631161,5.727192634,5.076158542,99.25747698,49.62873849,78.97647876,99.25747698,8.271456415,49.62873849,-1.42E-14,0,0,0,68.72631161,5.727192634,5.076158542,108.2394884,54.05029977,86.54088184,108.1237477,9.010312307,54.05029977,-0.138888889,2.78E-16,2.31E-17,-42.98461181,68.13911138,5.678259282,5.065861645,0,11.89,12.11019763,-0.170505179,0.049911191,5.116124313,7.525212172,11,37,37,37,11,0,0,0,0,0,28.423382,3.52894746,3.399237023,3.193005327,2.924908085,2.614822097,2.286848729,1.967238684,1.680588916,1.942487737,1.854270987,1.714265622,1.534314666,1.331941168,1.128249307,0.943048402,0.789380648,3.557364259,3.430519255,3.229070828,2.967707579,2.666371748,2.349206476,2.04228093,1.769457302,1.882894522,1.788968513,1.640340702,1.449638723,1.234963378,1.018022302,0.819627242,0.654119861,3.681319979,3.567149418,3.386573208,3.154040823,2.889287507,2.615989679,2.35858844,2.137101907,1.705877538,1.594221836,1.417718005,1.190684542,0.93272357,0.667317926,0.418483741,0.205457901,3.578244335,3.453519596,3.255597664,2.999172989,2.704210161,2.394845485,2.096960386,1.833822784,1.844802616,1.747146488,1.592786453,1.394808121,1.171681479,0.945513608,0.737788127,0.563769007,3.74112476,3.633064887,3.462337093,3.243023134,2.994490432,2.739906474,2.50265244,2.300875329,1.650062983,1.532686302,1.346882005,1.107225182,0.833579322,0.54982705,0.280916655,0.047872875,3.58776797,3.493419117,3.326395621,3.091102139,2.806488016,2.501394518,2.207776023,1.952522827,1.814060284,1.692388138,1.507208268,1.281367708,1.039650088,0.803595146,0.589340773,0.407936188,0,0,0,0,0,2,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.071067812,5.914213562,3.828427125,2.457106781,1.560660172,0.978553391,0.603553391,0.364276695,0.755922318,0.537655778,0.382842712,0.273011865,0.195082521,0.139793342,0.100592232,0.072855339,9.071067812,5.914213562,3.828427125,2.457106781,1.560660172,0.978553391,0.603553391,0.364276695,0.755922318,0.537655778,0.382842712,0.273011865,0.195082521,0.139793342,0.100592232,0.072855339,19.04376145,36.5418791,34.43137255,34.88,22.38120838,292.6246216,0.501151617,0.961628397,0.906088751,0.917894737,0.588979168,7.700647936,4.9272,57.518,49.62873849,78.97647876,99.25747698,8.271456415,49.62873849,0,0,0,68.72631161,5.727192634,5.076158542,182,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,2,0,10,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.4,0,0,0,0,0,0,0,0,0,0,0,4.558032194,0,14.44196781,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.279016097,0,1.370867769,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.279016097,0,1.475907029,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19,1.583333333,0.2,2.279016097,0.2,1.370867769,8.93009839,0.129132231,0.279016097,1.116064388,0.129132231,0.279016097,1.116064388,6,0.5,0,0,0.42632,0.7,0.42632,0.42632,0.7,0,0,0,0,0.71429,0,0,0.16667,0,0,5.5,0.45833,5.5,0.45833,0,0,-5.5,-0.45833,0,0,13.87794,1.15649,13.87794,0,0,5.91421,0.49285,5.91421,0,0,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,11,0,0,0,0,0,0,1,0.899743759,1.105013997,1.828234437,2.273728829,2.359806304,2.266270437,34.19026283,41.99053189,69.47290861,86.4016955,89.67263955,86.1182766,0.171447444,0.210561978,0.348372654,0.43326224,0.449664424,0.431841033,4.348183755,4.142913516,3.419693076,2.974198684,2.88812121,2.981657077,0.17271366,0.212117072,0.350945542,0.436462076,0.452985398,0.435030372,6.679290299,9.14253316,11.95971807,13.12904028,13.21579131,12.40118171,47.55009265,42.83293845,40.35187352,38.32249391,38.76277601,40.66555565,12,11,11.11111111,12,0,12,2.78,1.7994,0.090909091,4.416250426,0,0,15.15959565,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,5.762,10,9,8,7,6,5,4,3,2,77,2.48490665,2.397895273,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,4.356708827,1,0.454545455,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0.818181818,11,1,1,6,11,0.833333333,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0.016528926,0.045454545,0.022222222,0.013888889,0.01,0.007936508,0.006802721,0.00625,0.00617284,0.006666667,0.008264463,0.133658855,49.62873849,78.97647876,99.25747698,8.271456415,49.62873849,0,0,0,68.72631161,5.727192634,5.076158542,0,216.1082742,4.584962501,3.761200116,4.394449155,5.043425117,5.693732139,6.350885717,7.007600614,7.668093709,8.327726166,8.989818381,80.23693111,3.135494216,0,4.143134726,0,5.283203729,0,6.484635236,0,7.72001794,8.07059354,170.2034508,4.47903818,22.82859468,1.90238289,0,0,0,286,9,7.168,42,1.234891892,2.132503406,2.857894351,3.598054302,4.934820668,5.950691509,7.270218118,8.373373657,9.673339258,10.80946752,74.78950626,66.97813564,65.78900354,86.44758844,106.690979,125.1792705,141.6643964,154.4875406,161.8496639,159.2634752,281.4980232,317.4695572,323.4163141,432.0974426,546.924099,655.7484842,761.0404991,854.3261576,932.3803458,979.0885251,8.980981064,15.16284931,19.9539809,25.2370927,34.46214778,41.57275631,50.66838776,58.31671856,67.21803645,74.96591324,2.133680728,2.682531355,2.869906545,3.809702439,4.910188898,5.916785523,6.959818851,7.888285196,8.758169356,9.400108443,177.1688144,330.3118942,471.0336093,583.8691957,812.3618894,978.0537198,1204.236233,1389.678559,1616.804219,1817.323534,2.343912162,3.367361481,3.991382611,5.202528276,6.934579334,8.418404998,10.15533133,11.72205812,13.44818352,15.04401699,0.442396824,0.567493413,0.613907709,0.813251129,1.052026226,1.268450956,1.495837101,1.697954024,1.890860591,2.036613951,565.9704829,376.0709086,14.18614997,175.8923076,-116.8753176,-10.44109382,390.0781753,492.9462262,24.62724378,0.762904529,0.506927849,0.019122337,0.237095471,-0.157543038,-0.014074158,419.8724418,278.9930137,10.5241768,130.4879582,-86.70544925,-7.745858994,0.039728936,0.098071827,0.603794291,6.51388679,741.8627905,0,1,0,682.8972606,26.13230301,8.806130631,934.7601987,30.57384828,9.777625614,1112.858278,33.35953054,10.3628677,3.971916895,3.971916895,3275.079927,3239.758867,75.3550872,1.010902373,43.46196187,42.9932336,5.853876814,8.108225633,14.98111926,0.847644594,7.251414389,10.43377051,3.891744555,45.79180571,19.36622154,0.143592657,7.538811728,9.307428062,30.31477674,1.333009131,2.191146801,30.3071148,4.891994661,28.88687709,2.706752457,0.75682336,10.32626676,4.699808696,19.10947617,4.287084871,1.746932257,2.848391874,5.278308512,5.222744109,5.795344082,2.233802734,1.989911868,0.130272743,2.290155724,4.06E-12,0.608560961,10.43322789,0.27371406,10.17600195,0.140224588,0.001272345,1.1357648,0.339892248,8.480201019,0.04645854,0.020306952,1.903083318,0.152788176,6.595073366,0.114385935,0.066541017,0.396576633,0.087008431,4.082193119,0.186279772,0.159162009,0.057239027,0.070902328,1.641441482,0.251813889,0.18311135,0.014214733,0.010932693,0.016129754,2.86E-14,1.964508966,10.43326517,0.918435115,12.702439,1.431202641,0.010982686,2.442633294,1.387943203,11.313443,0.193075451,0.168723708,6.477607229,0.663066262,10.16391581,0.443561115,0.196248078,1.575074558,0.483437621,6.580095965,0.715661566,0.476200674,0.30187882,0.474048555,2.372458181,0.96743707,0.571504177,0.146259318,0.035292194,0.168084473,2.98E-13,6.844743662,10.4337113,3.637069366,41.9333358,17.25758965,0.128037963,7.146775832,8.481649689,28.40368239,1.213212063,1.953995172,28.1354616,4.440158769,27.17500559,2.477302595,0.710604604,9.418255338,4.224563299,17.98805139,3.927189547,1.647232827,2.562512006,4.726100729,5.003498084,5.308831051,2.097578177,1.773006326,0.122966708,2.04048752,3.61E-12,2.895324763,10.43331258,1.388865912,15.84520449,3.099346739,0.023391057,3.339796113,2.339712326,13.74047319,0.328164827,0.358109076,9.981110779,1.149077137,12.90520926,0.72890838,0.288611723,2.63597313,0.917437682,8.463920141,1.170422119,0.695933769,0.566343509,0.946703008,2.874279272,1.582188033,0.847089792,0.317439761,0.052014331,0.365101936,6.47E-13,8.757133046,10.43401927,4.872367764,61.98333498,28.2313324,0.208953203,8.990396369,12.67919051,38.04288388,1.823156327,3.187585543,38.8391569,6.748543555,35.61936725,3.636629969,0.932447083,14.02899141,6.67839867,23.49035608,5.743202834,2.118909837,4.03745872,7.587909569,6.03451487,7.763751638,2.750310355,2.901964906,0.157323842,3.339976892,5.92E-12,4.672549992,9.931618995,2.243322926,23.99477829,7.735365756,0.057674353,4.857630517,4.424364118,18.87115158,0.627895712,0.881014599,17.07234538,2.258364048,18.56488649,1.326991147,0.440729643,5.145471416,2.014564969,12.76177786,2.115008627,1.04394244,1.275618902,2.192970545,4.690494318,2.859094864,1.704775143,0.794060728,0.103928486,0.913524721,1.62E-12,20.59087311,0.792764996,0.522673587,0.939951618,0.036188885,0.557453063,0.644619608,0.631565298,21.90631169,27.50038627,57.93867705,0.909927426,1.833637969,18.91671345,0.325043614,0.117532518,0.977138824,0.016790059,0.470591353,0.108339475,0.031935464,19.35928958,8.410289051,28.49225751,0.965708236,0.610866292,19.59851142,0.515643469,0.282548307,0.960866628,0.025280726,0.505074018,0.272789483,0.18456212,20.3967032,15.78906482,39.04115725,0.941299942,0.962425621,20.55108734,0.781661027,0.513047692,0.940734194,0.035780844,0.55530313,0.626707579,0.608516878,21.84579606,27.00870136,57.09608736,0.91110129,1.790527588,19.8951253,0.598509887,0.354327761,0.954295887,0.028708315,0.520457976,0.367525933,0.290246848,20.84796295,19.16889308,44.23598877,0.931443831,1.178230758,20.71491007,0.827379686,0.552682864,0.937539522,0.037446513,0.564182526,0.702066084,0.706169817,22.09497262,29.04515019,60.61260737,0.906309283,1.972418427,20.61946639,0.783492374,0.514825074,0.940764201,0.035746879,0.558999082,0.629597328,0.612740425,21.91778384,27.1739745,57.40885763,0.911146301,1.801336835 +UMLYSI0148,L,propylcyclohexane,CCCC1CCCCC1,cyclic alkanes,C9H18,1678-92-8,15505,PubChem,,69.2,0,-0.64,0.4096,33.7033,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1516.304673,1864.442842,1646.69636,1133.218637,728.614155,338.148889,76.792464,6.096384,4371.159516,5876.91121,8447.051418,8742.806458,6793.434416,4696.184854,2775.839397,1071.022993,186.5024666,188.796996,195.98202,384.589288,545.784992,500.213876,374.044908,268.4305,143.083584,40.310784,33.10313229,45.14389758,70.19563559,78.85349674,64.47043818,45.75844906,29.04923006,12.68152803,2.667677429,4469.666941,3897.355064,8323.286703,12750.37653,12037.80623,9111.691027,6708.533673,3724.295171,1109.505912,39.52777778,48.58333333,83.5,107.1666667,94.91666667,72.25,50,24.5,6,48.76541633,56.15943233,34.5267193,21.11149179,15.73914774,13.49285472,8.670484333,3.656784,1.016064,161.8947969,217.6633782,156.4268781,112.0872623,94.35325577,86.96638618,71.17536916,51.00109489,31.08374443,6.992481333,7.258593333,7.122023852,6.997243487,6.947414944,6.926757556,6.882833333,6.813504,6.718464,1.226041937,1.671996207,1.299919178,1.010942266,0.895422753,0.847378686,0.744852053,0.603882287,0.444612905,165.54322,144.3464838,154.134939,163.4663657,167.1917532,168.735019,172.0136839,177.3473891,184.917652,1.46399177,1.799382716,1.546296296,1.373931624,1.318287037,1.337962963,1.282051282,1.166666667,1,0.037069505,-0.00163772,-0.013958174,-0.007365088,-0.001077498,-3.91E-04,-6.90E-04,0.002954977,0.003629962,726.396054,7.32E-13,-242.132018,-161.4213453,-80.71067267,-40.35533633,-5.01E-13,80.71067267,80.71067267,1350.764481,-5.26E-13,-450.2548269,-300.1698846,-150.0849423,-75.04247115,7.11E-15,150.0849423,150.0849423,0.142296,2.04E-15,-0.047432,-0.031621333,-0.015810667,-0.007905333,-1.12E-15,0.015810667,0.015810667,6.038545709,1.65E-14,-2.01284857,-1.341899046,-0.670949523,-0.335474762,-9.33E-15,0.670949523,0.670949523,32.80147613,-2.00E-13,-10.93382538,-7.289216918,-3.644608459,-1.822304229,1.11E-13,3.644608459,3.644608459,1.995884774,-0.345679012,-0.602880658,-0.363625972,0.268175583,-0.062757202,-0.129858253,0.046410608,0.192272519,0.001372945,-6.07E-05,-2.58E-04,-9.44E-05,-1.50E-05,-7.24E-06,-1.77E-05,1.41E-04,6.05E-04,26.90355756,2.71E-14,-4.483926259,-2.069504427,-1.120981565,-0.747321043,-1.28E-14,3.843365365,13.45177878,50.0283141,-1.95E-14,-8.33805235,-3.848331854,-2.084513087,-1.389675392,1.82E-16,7.146902014,25.01415705,0.005270222,7.55E-17,-8.78E-04,-4.05E-04,-2.20E-04,-1.46E-04,-2.88E-17,7.53E-04,0.002635111,0.223649841,6.11E-16,-0.037274974,-0.017203834,-0.009318743,-0.006212496,-2.39E-16,0.031949977,0.111824921,1.214869486,-7.40E-15,-0.202478248,-0.093451499,-0.050619562,-0.033746375,2.85E-15,0.173552784,0.607434743,0.073921658,-0.012802926,-0.011164457,-0.004661871,0.003724661,-0.00116217,-0.003329699,0.002210029,0.03204542,-0.044179719,-0.18827031,-0.068774959,-0.010900115,-0.005272312,-0.012892493,0.102490081,0.440654094,1.01E-15,-0.166666667,-0.076923077,-0.041666667,-0.027777778,-4.77E-16,0.142857143,0.5,-3.89E-16,-0.166666667,-0.076923077,-0.041666667,-0.027777778,3.64E-18,0.142857143,0.5,1.43E-14,-0.166666667,-0.076923077,-0.041666667,-0.027777778,-5.47E-15,0.142857143,0.5,2.73E-15,-0.166666667,-0.076923077,-0.041666667,-0.027777778,-1.07E-15,0.142857143,0.5,-6.09E-15,-0.166666667,-0.076923077,-0.041666667,-0.027777778,2.34E-15,0.142857143,0.5,-0.173195876,-0.151030928,-0.063065028,0.050386598,-0.015721649,-0.045043616,0.029896907,0.433505155,1.490006862,1.335971829,1.014712935,0.899664261,0.922097328,0.844236315,0.569520263,0.004250454,1.444444444,1.364197531,1.055555556,0.93287037,0.882716049,0.777777778,0.515873016,0,1.444444444,1.364197531,1.055555556,0.93287037,0.882716049,0.777777778,0.515873016,0,1.444444444,1.364197531,1.055555556,0.93287037,0.882716049,0.777777778,0.515873016,0,1.444444444,1.364197531,1.055555556,0.93287037,0.882716049,0.777777778,0.515873016,0,1.444444444,1.364197531,1.055555556,0.93287037,0.882716049,0.777777778,0.515873016,0,1.675257732,1.145876289,0.888402062,0.751353093,1.08556701,1.127319588,0.852945508,0,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,43.1686076,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,7.11E-15,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,47.01947686,23.35246984,35.77305197,46.9671792,5.218575466,23.35246984,-0.094135802,0.102001372,0.011333486,-2.054492115,60.42094305,6.713438117,3.691202206,0,11.9,12.1001487,-0.15127037,0.048894141,5.305339789,8.754380452,9,27,27,27,9,0,0,0,0,0,19.677726,3.647140482,3.219455432,2.750129472,2.750129472,2.139618252,1.456797487,1.456797487,1.217470913,2.00709515,1.732765063,1.372874417,1.372874417,1.042600721,0.666206401,0.666206401,0.554117655,3.671375225,3.254744234,2.792995694,2.792995694,2.208065273,1.556142907,1.556142907,1.333166878,1.954149085,1.659580172,1.285229005,1.285229005,0.92664415,0.522081792,0.522081792,0.40079495,3.777847985,3.409272454,2.981537655,2.981537655,2.498084193,1.9628467,1.9628467,1.793350348,1.799105768,1.439907919,1.018928274,1.018928274,0.553346211,0.037619229,0.037619229,0.124006526,3.689220616,3.280722665,2.824624264,2.824624264,2.258008815,1.62787375,1.62787375,1.415821611,1.920507121,1.612560919,1.228596505,1.228596505,0.850035057,0.425347018,0.425347018,0.297260455,3.829719829,3.483840753,3.072480534,3.072480534,2.631210132,2.141548494,2.141548494,1.990035365,1.750873166,1.37026739,0.933903671,0.933903671,0.426596575,0.135164289,0.135164289,0.315806421,3.695193978,3.381381152,2.909049071,2.875016701,2.395729905,1.775724201,1.76714593,1.576445279,1.8929542,1.502701124,1.140639906,1.111884327,0.677472207,0.248510677,0.241059616,0.105111035,0,0,0,0,0,1,7,1,0,0,0,0,0.102062073,0.072168784,0,0,0,0.102062073,0.072168784,0.204124145,0,0,0,0.204124145,0,0,0,0.433012702,0.65464793,0.637136847,0.433012702,0.65464793,0.637136847,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,6.527097737,4.431851653,3.292710979,2.421668296,1.884063091,1.309295861,0.49279928,0.24639964,0.725233082,0.492427961,0.329271098,0.220151663,0.157005258,0.109107988,0.082133213,0.06159991,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.3668,41.483,37.50463196,54.26687178,75.00926391,8.334362657,37.50463196,0.136437528,0.015159725,-1.792699594,35.3218919,3.924654656,3.208052645,81,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,1,0,7,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,2.300204082,0,10.43243481,0,0,0,1.100694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.300204082,0,1.393518519,0,0,0,1.100694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.300204082,0,1.521666667,0,0,0,1.100694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.83333333,1.537037037,0.2,2.300204082,0.2,1.100694444,6.489916879,0.232638889,0.300204082,0.706018519,0.232638889,0.300204082,0.706018519,4.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.11111,0.11111,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,9.45555,1.05062,9.45555,0,0,4.43185,0.49243,4.43185,0,0,-0.01785,-0.00198,0.06815,0.00757,0.222222222,9,0,0,0,0,0,0,1,0.918295834,1.247104744,2.252382635,3.105653242,3.259904985,2.875076854,24.79398752,33.67182808,60.81433114,83.85263755,88.01743458,77.62707506,0.193126721,0.262278496,0.473698407,0.653149678,0.68559035,0.604657177,3.836591668,3.507782759,2.502504867,1.64923426,1.494982518,1.879810648,0.193126721,0.262278496,0.473698407,0.653149678,0.68559035,0.604657177,6.73287657,10.67858349,15.82059603,17.80210667,16.63642306,15.43434845,35.54887502,30.33929922,23.96075827,21.47958936,22.91350502,25.1084403,7.111111111,3.92,2.380165289,3,0,3,2.45,1.2681,0,2.085481947,0.333333333,0,9.563073858,4.445544946,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,4.393,10,11,12,12,6,4,2,0,0,75,2.302585093,2.397895273,2.48490665,2.564949357,2.564949357,1.945910149,1.609437912,1.098612289,0,0,4.33073334,1,0.5,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.222222222,3,0.333333333,1,3,6,1,1,0.444444444,0.1875,0.151111111,0.090277778,0.04,0,0,0,0,0.111111111,0.044444444,0.0234375,0.030222222,0.030092593,0.04,0,0,0,0,0.27930787,21.5843038,32.83143626,43.1686076,4.796511956,21.5843038,0.132149135,0.014683237,-1.821441765,74.38584677,8.265094086,3.878339123,0,151.8638616,4.169925001,3.663561646,4.394449155,5.153291594,5.905361848,6.673297968,7.430707083,8.200562797,8.959440144,9.729669736,78.11034197,2.944438979,0,4.077537444,0,5.433722004,0,6.886531643,0,8.379997952,8.639410824,126.1408506,4.671883355,17.70058553,1.966731726,0,0,0,94,8,5.06,38,1.22699952,2.102660164,2.813249694,3.536616865,4.185726271,4.839380925,5.818571873,7.033430929,0,0,78.95148878,80.48584787,64.39716888,60.70102619,62.9354078,47.71045708,22.94728141,7.146415963,0,0,290.5400635,350.354845,332.9214789,348.6513742,384.5054268,368.9167075,309.3494916,218.6253695,0,0,8.938429587,15.01941066,19.73815481,24.60655538,29.04818235,33.39656385,39.70496709,47.25385249,0,0,2.17886504,2.860848416,2.961447741,3.259816517,3.678166202,3.778504474,3.61445623,3.127154156,0,0,175.1121323,320.9783708,455.8527342,588.6551804,702.2255793,825.6393825,1027.121011,1300.605533,0,0,2.261871093,3.321809198,3.941138566,4.732459675,5.708772528,6.371511819,6.901467372,7.033430929,0,0,0.45089223,0.601650815,0.632926132,0.703073914,0.796354051,0.826845369,0.807168253,0.720223327,0,0,362.4255168,170.0609301,9.36471338,84.31383456,-39.56258172,-4.515393867,278.1116822,209.6235118,13.88010725,0.811268396,0.38067148,0.020962365,0.188731604,-0.088558533,-0.010107446,161.9097403,75.97290959,4.183585981,37.66630776,-17.67416209,-2.017204127,0.063677283,0.138863406,1.119894183,1.310120061,446.7393514,0,1,0,620.8036052,24.91593075,8.530701456,795.1702547,28.19876335,9.264458536,1065.609694,32.64367771,10.21408312,1.491001818,1.442559414,546.8135834,492.8780426,159.6464513,1.10942979,3.425153387,3.087309731,4.178127543,4.301363014,7.285318514,0.693723243,5.020829967,7.856395922,8.518371581,14.92374289,18.49787271,9.022398136,12.29566,13.32567637,7.129792284,3.638205135,3.06210891,2.372835368,2.305700509,0.009974898,6.57E-23,8.36E-65,2.05E-128,9.70E-214,8.85E-321,0,0,0,0,0,0,0,0,0,0,0,0.421931389,6.528963271,0.638477052,5.643913548,1.008805835,1.546618387,1.774232507,1.959061803,0.452720353,0.225986165,0.592521029,0.142877237,0.016240519,7.03E-05,4.63E-25,5.88E-67,1.44E-130,6.83E-216,6.4E-323,0,0,0,0,0,0,0,0,0,0,0,1.360664627,6.6176658,2.087020611,6.46141896,3.561878299,2.795232573,2.822443568,3.777129059,1.257080305,0.781454234,0.957803412,0.498295397,0.169228667,7.32E-04,4.82E-24,6.13E-66,1.50E-129,7.12E-215,6.47E-322,0,0,0,0,0,0,0,0,0,0,0,4.739288689,7.710655744,7.979398902,13.97473562,17.06748771,8.466618364,11.2626015,12.45219363,6.523422178,3.379416761,2.861815014,2.201025789,2.054338526,0.008887455,5.85E-23,7.44E-65,1.83E-128,8.64E-214,7.885E-321,0,0,0,0,0,0,0,0,0,0,0,2.005075568,6.732672521,3.128881212,7.342306977,5.616397099,3.73471857,3.868453085,5.174259446,1.975100016,1.20464292,1.249774815,0.771900769,0.367584122,0.001590221,1.05E-23,1.33E-65,3.27E-129,1.55E-214,1.413E-321,0,0,0,0,0,0,0,0,0,0,0,6.063250599,8.46921352,10.57817714,18.86997618,24.20237601,11.19160597,16.56222764,16.76147161,9.599272976,4.653033769,3.859464926,3.049041618,3.362643317,0.014547452,9.58E-23,1.22E-64,2.99E-128,1.41E-213,1.2905E-320,0,0,0,0,0,0,0,0,0,0,0,3.345420989,6.875533994,5.118684202,9.69545247,10.04870925,5.674050906,6.713307382,8.425553634,3.986995032,2.092770559,2.165202268,1.514665477,0.975972031,0.00422221,2.78E-23,3.54E-65,8.68E-129,4.10E-214,3.745E-321,0,0,0,0,0,0,0,0,0,0,0,4.3022739,1.38364657,0.877642221,0.65547845,0.210807245,0.478784388,0.511651514,0.407214877,6.56356269,10.94303039,22.73104497,0.483217675,1.397650779,3.501241792,0.847000919,0.419961299,0.734289427,0.17763521,0.317579078,0.191438602,0.093133508,4.768204011,4.791648674,10.80527102,0.601434141,0.602151188,3.819255417,1.060153892,0.601852894,0.69678393,0.193414191,0.377621766,0.30011216,0.191426803,5.481262203,6.985685108,14.90384877,0.545175894,0.869160729,4.282430217,1.370362132,0.866322319,0.656903649,0.210206784,0.474391414,0.50185726,0.396777849,6.519114668,10.76562038,22.36873043,0.485355474,1.373026523,3.961064958,1.155158396,0.682878235,0.683048037,0.199196096,0.406075155,0.356406884,0.24648775,5.799101588,8.069415015,16.99313348,0.524572056,1.008969789,4.364402807,1.425236192,0.913078583,0.651139296,0.212635573,0.492669788,0.542927876,0.440760226,6.702717581,11.50670021,23.88904491,0.476708944,1.47635789,4.300435464,1.37262968,0.868564861,0.657395093,0.209829917,0.47833197,0.503496387,0.39883673,6.541630005,10.83033039,22.49901656,0.486092639,1.380665087 +UMLYSI0149,L,"2,4,4-trimethyl-1-pentene",CC(=C)CC(C)(C)C,alkenes,C8H16,107-39-1,7868,PubChem,,68.5,0,3.1663,10.02545569,38.157,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1674.79369,1290.353741,1097.063862,399.533904,45.72288,0,0,3885.475125,4800.404174,6735.600534,7510.205478,6043.52245,3786.30834,1398.768499,0,0,167.819552,166.665724,297.581032,372.231284,554.716248,234.881856,302.33088,0,0,29.42500648,37.33900896,54.15737825,66.28108257,59.44440754,36.74696223,20.00758072,0,0,3973.037281,3337.521256,6612.996548,7830.731523,14184.45858,5053.044075,8321.294341,0,0,47.59027778,53.20833333,76,108.25,112.25,75,45,0,0,48.76541633,52.3287937,39.87604024,24.81449502,13.5439983,12.107088,1.016064,0,0,161.8947969,208.713225,160.3714413,144.4270284,74.61138827,114.7366164,31.08374443,0,0,6.992481333,7.246335826,7.085262667,7.158293923,6.848348741,7.117632,6.718464,0,0,1.226041937,1.623435172,1.289461387,1.274636203,0.733881575,1.11354431,0.444612905,0,0,165.54322,145.1096198,157.4522988,150.5909908,175.1167726,153.1225477,184.917652,0,0,1.982928241,2.313405797,1.80952381,2.081730769,1.385802469,2.272727273,1,0,0,0.045694943,-0.00805536,0.008393324,-0.050392712,0.051517313,-0.064313591,0.040003554,0,0,645.6853813,-53.80711511,242.132018,-995.4316296,766.7513903,-887.8173993,605.330045,0,0,1200.679538,-100.0566282,450.2548269,-1851.047622,1425.806952,-1650.934365,1125.637067,0,0,0.126485333,-0.010540444,0.047432,-0.194998222,0.150201333,-0.173917333,0.11858,0,0,5.367596186,-0.447299682,2.01284857,-8.27504412,6.374020471,-7.380444756,5.032121424,0,0,29.15686767,-2.429738973,10.93382538,-44.95017099,34.62378036,-40.09069305,27.33456344,0,0,6.464988426,-2.938958816,4.194372106,-8.817081404,9.859483507,-9.827727141,4.297417535,0,0,0.001903956,-3.50E-04,2.00E-04,-9.69E-04,6.36E-04,-0.001948897,8.89E-04,0,0,26.90355756,-2.339439787,5.765048048,-19.14291595,9.466066547,-26.90355756,13.45177878,0,0,50.0283141,-4.350288182,10.72035302,-35.59706965,17.60255496,-50.0283141,25.01415705,0,0,0.005270222,-4.58E-04,0.001129333,-0.003749966,0.001854337,-0.005270222,0.002635111,0,0,0.223649841,-0.019447812,0.047924966,-0.159135464,0.078691611,-0.223649841,0.111824921,0,0,1.214869486,-0.105640825,0.260329176,-0.864426365,0.427454079,-1.214869486,0.607434743,0,0,0.269374518,-0.127780818,0.099866003,-0.169559258,0.121722019,-0.297809913,0.095498167,0,0,-0.183950175,0.104960961,-0.508987935,0.334049855,-1.023603878,0.466905689,0,0,-0.086956522,0.214285714,-0.711538462,0.351851852,-1,0.5,0,0,-0.086956522,0.214285714,-0.711538462,0.351851852,-1,0.5,0,0,-0.086956522,0.214285714,-0.711538462,0.351851852,-1,0.5,0,0,-0.086956522,0.214285714,-0.711538462,0.351851852,-1,0.5,0,0,-0.086956522,0.214285714,-0.711538462,0.351851852,-1,0.5,0,0,-0.474361195,0.370732924,-0.629455448,0.451869091,-1.105560822,0.354518194,0,0,1.509126189,0.874871905,1.640375021,0.417348028,2.46294679,0.092523161,0,0,1.5,0.924107143,1.948918269,0.372685185,2.15625,0,0,0,1.5,0.924107143,1.948918269,0.372685185,2.15625,0,0,0,1.5,0.924107143,1.948918269,0.372685185,2.15625,0,0,0,1.5,0.924107143,1.948918269,0.372685185,2.15625,0,0,0,1.5,0.924107143,1.948918269,0.372685185,2.15625,0,0,0,1.869041758,0.348233068,1.897114567,0.160587209,3.23420392,0,0,0,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,32.19501901,16.09750951,24.2916178,32.19501901,4.024377376,16.09750982,2.13E-14,0.01532986,0.001916233,-3.34236216,29.99484803,3.749356004,2.720820508,49.38217786,24.4515056,38.12820114,49.02280286,6.127850358,24.4515056,-0.479166667,0.047167883,0.005895985,-2.443233646,24.13005029,3.016256286,2.546766371,0,11.89,12.11011416,-0.157663215,0.06393858,5.956422937,8.994597207,7,23,22,22,6,1,1,0,0,1,17.491312,3.610670307,3.211917666,2.333552793,2.333552793,2.256677967,2.079746185,0.52987105,0.387029567,1.939401255,1.662868225,1.249629723,1.249629723,1.154114088,0.983836891,0.083923071,0.083923071,3.631157042,3.240456119,2.405454588,2.405454588,2.32661669,2.147221647,0.620760598,0.507406576,1.887974042,1.594388963,1.134540686,1.134540686,1.041028853,0.866571206,0.270913902,0.270913902,3.724077235,3.370020408,2.704236987,2.704236987,2.618578049,2.435540579,0.970133649,0.96148215,1.743193029,1.396566423,0.76031856,0.76031856,0.673552967,0.490845944,0.943918427,0.943918427,3.64639981,3.26171786,2.457539916,2.457539916,2.377370979,2.19660799,0.685161021,0.591961865,1.855794442,1.551021429,1.058262671,1.058262671,0.966078727,0.789215945,0.399277246,0.399277246,3.771044676,3.435106011,2.838982085,2.838982085,2.750724254,2.568931756,1.207644823,1.207644823,1.700088386,1.336624416,0.631337262,0.631337262,0.547183156,0.364153036,1.110382943,1.142438647,3.629789626,3.318148699,2.534091447,2.529754755,2.529754755,2.230317096,0.651809066,0.569766724,1.921925189,1.484793163,0.972997998,0.972997998,0.893857215,0.633347091,0.518918919,0.518918919,0,0,1,0,1,4,1,0,1,0,0,0,0,0,0,0,0,0,0,1.968908462,0.353553391,0,0,1.810660172,0.353553391,0,0,0.816496581,2.041241452,1.020620726,0.655330086,1.457106781,0.676776695,6.78445705,3.416502219,4.158631167,1.020620726,1.224744871,0,0,0,0.848057131,0.488071746,0.415863117,0.204124145,0.204124145,0,0,0,6.414213562,3.060660172,3.694543648,0.832106781,0.905330086,0,0,0,0.801776695,0.437237167,0.369454365,0.166421356,0.150888348,0,0,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.92489,38.616,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,4,1,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.115949074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348819444,0,0,0,0.967152778,0.580555556,0,0.348819444,0,0,0,0,0,0,0,0,8.746319444,3.840486111,1.131944444,0,0,0,0,0,0,1.275462963,0,0,0.422453704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.275462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348819444,0,0,0,0.225625,0.290277778,0,0.348819444,0,0,0,0,0,0,0,0,2.074652778,3.840486111,1.131944444,0,0,0,0,0,0,1.275462963,0,0,0.422453704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.840486111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348819444,0,0,0,0.290277778,0.290277778,0,0.348819444,0,0,0,0,0,0,0,0,2.223888889,3.840486111,1.131944444,0,0,0,0,0,0,1.275462963,0,0,0.422453704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.41666667,1.927083333,0.348819444,3.840486111,0.043402778,0.422453704,5.468942685,0.827546296,0.840486111,3.173611111,0.827546296,0.840486111,3.173611111,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.625,0.125,0.125,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,8.28712,1.03589,9.73928,1.45216,0.18152,2.87519,0.3594,3.41649,0.5413,0.06766,0.49751,0.06219,0.49751,0.06219,0,7,0,0,0,0,0,0,0.75,0.918295834,2.082551817,2.833333333,2.833333333,2.642293229,1.961466146,22.03910002,49.98124361,68,68,63.4150375,47.0751875,0.200284263,0.45421349,0.617962161,0.617962161,0.576295494,0.427804185,3.666666667,2.502410684,1.751629167,1.751629167,1.942669272,2.623496355,0.200284263,0.45421349,0.617962161,0.617962161,0.576295494,0.427804185,6.73287657,16.72064472,17.47730113,17.47730113,15.18481988,10.2987728,31.59900002,19.42915877,19.57694219,19.57694219,18.43070156,15.54072656,8,2.52,7.2,8,2,5,2.34,1.1928,3.298769777,2.5,2.58640929,3.221970075,0,1,1,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.155,0.135,0.064,0.154,3.224,10,5,6,0,0,0,0,0,0,36,2.197224577,2.564949357,1.945910149,2.302585093,0,0,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,2,4,1,4,0.666666667,0.75,0,0,0,0,0,0,0,0.571428571,0.066666667,0.15,0,0,0,0,0,0,0,0.788095238,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,0,144.287877,4,3.555348061,4.17438727,5.056245805,5.686975356,6.577861358,7.211556733,8.105005538,8.739536423,9.633841843,73.74075839,2.708050201,0,4.007333185,0,5.416100402,0,6.882437471,0,8.379079889,8.635687085,112.1252005,4.671883355,14.27908074,1.784885093,0,0,0,66,5,3.995,34,1.226391304,2.122827541,3.001081423,3.466999628,4.267526705,4.641581648,0,0,0,0,74.73814722,97.23810673,77.48127974,51.73940796,51.66732135,4.716144016,0,0,0,0,280.6431588,375.4189098,440.4722741,273.5326822,489.6415744,144.2777377,0,0,0,0,8.920641989,15.11613074,21.49225756,23.78171194,30.37468463,31.18429921,0,0,0,0,2.124868553,2.947816891,3.86345699,2.63867727,4.75208008,2.0637071,0,0,0,0,175.8569114,328.8841386,451.3359847,604.2908036,653.4545614,858.3103801,0,0,0,0,2.884896739,4.074284291,6.268878606,4.892084028,9.501570859,4.641581648,0,0,0,0,0.4404825,0.616488906,0.820669503,0.574353434,1.024206409,0.475297961,0,0,0,0,378.5082459,175.4856545,11.28326625,174.4771183,-80.89184748,-11.66436902,204.0311276,256.377502,22.94763527,0.68448149,0.317342313,0.020404276,0.31551851,-0.146282077,-0.02109345,209.3095202,97.04099855,6.239481095,96.4832928,-44.73200774,-6.45022535,0.115248115,0.215030286,1.708181319,8.094607765,552.9853642,0,1,0,457.3961477,21.38682182,7.704849633,612.8133496,24.75506715,8.493944243,831.5107869,28.83592875,9.403494954,1.568682102,1.568682102,395.9470608,360.8314307,150.0026356,1.097318657,2.639600692,2.405500604,3.945557205,3.480903102,6.533428096,0.876934779,4.625737202,5.969182007,4.833867253,20.01946838,1.938096873,11.40167649,6.391314562,6.214192258,6.435939819,0.716710377,3.023401943,1.788546757,7.03E-10,5.33E-41,7.79E-94,2.20E-168,1.19E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,0.388216777,5.863019005,0.300572887,10.16693754,0.81919738,0.447997192,0.312378409,0.367137864,1.037611936,0.012675959,0.057447806,0.012596881,4.95E-12,3.75E-43,5.49E-96,1.55E-170,8.41E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.253185036,5.870113599,1.039539364,11.94517149,0.946779649,1.781373764,0.887242419,1.235825554,1.634041975,0.072200573,0.314786545,0.131269213,5.16E-11,3.91E-42,5.72E-95,1.61E-169,8.77E-266,0,0,0,0,0,0,0,0,0,0,0,0,0,4.366319238,5.957526442,4.490408725,19.33391911,1.833935773,10.41182446,5.783566037,5.74132895,5.926634641,0.643828447,2.718690692,1.593562961,6.26E-10,4.75E-41,6.94E-94,1.96E-168,1.06E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,1.84695863,5.879311595,1.602155443,13.23501954,1.064293147,2.964666772,1.479610736,1.928598429,2.193561093,0.138058273,0.594792412,0.285134271,1.12E-10,8.49E-42,1.24E-94,3.50E-169,1.90E-265,0,0,0,0,0,0,0,0,0,0,0,0,0,5.586245157,6.018191959,6.180402123,22.65129007,2.364251059,15.4291665,8.90904037,8.095464862,8.52470821,1.020373953,4.291424123,2.608427355,1.03E-09,7.77E-41,1.14E-93,3.20E-168,1.74E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,2.610296131,4.087026154,1.905552413,14.90293494,1.149313142,4.098193008,2.063288755,2.549292647,2.928322062,0.219711424,0.940762809,0.481614227,1.89E-10,1.43E-41,2.10E-94,5.92E-169,3.22E-265,0,0,0,0,0,0,0,0,0,0,0,0,0,3.498140359,1.4237705,0.969412012,0.593778415,0.241672462,0.486935862,0.535861851,0.404148783,5.89132287,9.751908555,20.4714355,0.390667623,1.426946496,2.711650873,0.825400572,0.512235797,0.669661279,0.203838484,0.292814365,0.182216045,0.112840326,4.049287242,4.050002546,9.245775016,0.504491919,0.587870735,3.023774367,1.063298286,0.69381135,0.632471812,0.222406209,0.363940278,0.301069596,0.207017606,4.780884003,6.050831496,13.06243978,0.448707718,0.87202748,3.478645727,1.408979914,0.958093617,0.595075742,0.241027639,0.481526317,0.524950372,0.394766577,5.845719258,9.584144886,20.12580859,0.392613614,1.401243266,3.163008678,1.169231066,0.774747048,0.619349297,0.228947345,0.398175733,0.363289589,0.258133483,5.106986792,7.054677961,15.02690247,0.429023945,1.019598805,3.559179767,1.470068952,1.004846885,0.589844775,0.243627057,0.504070663,0.570717314,0.434234438,6.034095604,10.28586458,21.57755992,0.384767163,1.509022415,3.482104661,1.412405141,0.9578763,0.594988882,0.241338339,0.482501108,0.528309592,0.394587513,5.852386102,9.606477463,20.16983573,0.392483322,1.405398213 +UMLYSI0150,L,"1,1-dimethylcyclohexane",CC1(CCCCC1)C,cyclic alkanes,C8H16,590-66-9,11549,PubChem,,67.9,0,0.175,0.030625,32.0903,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1912.866323,1583.031919,701.528018,153.584928,12.192768,0,0,3885.475125,5223.921076,7983.759134,8739.842576,5812.235772,2142.045985,373.0049332,0,0,167.819552,174.20624,341.907212,487.690108,557.814728,286.167168,80.621568,0,0,29.42500648,40.12790896,64.52079401,77.85914474,60.77016164,25.36305606,5.335354858,0,0,3973.037281,3464.315612,7410.01833,10889.88012,13908.23009,7448.590342,2219.011824,0,0,36.8125,44.75,76.25,109.375,103.5,49,12,0,0,48.76541633,56.15943233,39.85138173,22.94249158,8.660839728,3.656784,1.016064,0,0,161.8947969,217.6633782,166.3283153,126.6643852,71.75599718,51.00109489,31.08374443,0,0,6.992481333,7.258593333,7.123066917,7.06797258,6.88660158,6.813504,6.718464,0,0,1.226041937,1.671996207,1.344183209,1.128393402,0.750248909,0.603882287,0.444612905,0,0,165.54322,144.3464838,154.3753819,157.8243496,171.7065444,177.3473891,184.917652,0,0,1.533854167,1.864583333,1.588541667,1.585144928,1.277777778,1.166666667,1,0,0,0.031757682,-0.00388786,0.005049717,-0.029313225,-0.002099041,0.006890853,0.007480714,0,0,645.6853813,5.47E-13,40.35533633,-645.6853813,-40.35533633,161.4213453,161.4213453,0,0,1200.679538,-5.68E-14,75.04247115,-1200.679538,-75.04247115,300.1698846,300.1698846,0,0,0.126485333,2.94E-15,0.007905333,-0.126485333,-0.007905333,0.031621333,0.031621333,0,0,5.367596186,1.14E-14,0.335474762,-5.367596186,-0.335474762,1.341899046,1.341899046,0,0,29.15686767,-1.15E-13,1.822304229,-29.15686767,-1.822304229,7.289216918,7.289216918,0,0,2.372395833,-1.0703125,1.380208333,-2.143554687,-0.082356771,0.259765625,0.470052083,0,0,0.001323237,-1.62E-04,1.05E-04,-4.25E-04,-2.59E-05,1.64E-04,6.23E-04,0,0,26.90355756,2.28E-14,0.840736174,-9.35775915,-0.498214029,3.843365365,13.45177878,0,0,50.0283141,-2.37E-15,1.563384816,-17.40115273,-0.926450261,7.146902014,25.01415705,0,0,0.005270222,1.22E-16,1.65E-04,-0.001833121,-9.76E-05,7.53E-04,0.002635111,0,0,0.223649841,4.74E-16,0.006989058,-0.077791249,-0.004141664,0.031949977,0.111824921,0,0,1.214869486,-4.81E-15,0.037964671,-0.4225633,-0.022497583,0.173552784,0.607434743,0,0,0.098849826,-0.044596354,0.02875434,-0.03106601,-0.00101675,0.006184896,0.039171007,0,0,-0.122422657,0.079503871,-0.321053168,-0.019583858,0.123989853,0.471112103,0,0,8.47E-16,0.03125,-0.347826087,-0.018518519,0.142857143,0.5,0,0,-4.73E-17,0.03125,-0.347826087,-0.018518519,0.142857143,0.5,0,0,2.32E-14,0.03125,-0.347826087,-0.018518519,0.142857143,0.5,0,0,2.12E-15,0.03125,-0.347826087,-0.018518519,0.142857143,0.5,0,0,-3.96E-15,0.03125,-0.347826087,-0.018518519,0.142857143,0.5,0,0,-0.45115258,0.290889133,-0.314274806,-0.010285807,0.062568606,0.396267838,0,0,1.56031225,1.017589676,1.43827378,0.82501031,0.561942253,0.003325082,0,0,1.4375,1.16796875,1.4375,0.798611111,0.513392857,0,0,0,1.4375,1.16796875,1.4375,0.798611111,0.513392857,0,0,0,1.4375,1.16796875,1.4375,0.798611111,0.513392857,0,0,0,1.4375,1.16796875,1.4375,0.798611111,0.513392857,0,0,0,1.4375,1.16796875,1.4375,0.798611111,0.513392857,0,0,0,1.969264544,0.580680571,1.567508233,0.81538399,0.634781245,0,0,0,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,30.05297087,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,8.88E-15,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,35.86878211,17.67109353,25.80643342,35.77815711,4.472269638,17.67109361,-0.18125,0.047796088,0.005974511,-2.432649186,44.49953227,5.562441534,3.036382943,0,11.9,12.10012615,-0.150248744,0.049932191,6.468125,9.068753977,8,24,24,24,8,0,0,0,0,0,17.491312,3.673255551,3.052196949,2.750129472,2.333552793,2.145105355,1.456797487,1.210901199,0.441713938,2.013708642,1.589242385,1.372874417,1.249629723,1.037732619,0.666206401,0.546797064,0.083923071,3.69558268,3.08800298,2.792995694,2.405454588,2.212954426,1.556142907,1.325510656,0.551555594,1.962583172,1.511208006,1.285229005,1.134540686,0.923130647,0.522081792,0.393028903,0.270913902,3.794782305,3.247217301,2.981537655,2.704236987,2.499839866,1.9628467,1.784358262,0.964952343,1.814793638,1.27918801,1.018928274,0.76031856,0.554434314,0.037619229,0.132939592,0.943918427,3.712084697,3.114503178,2.824624264,2.457539916,2.262420155,1.62787375,1.407627065,0.628608479,1.930259744,1.461220842,1.228596505,1.058262671,0.847449473,0.425347018,0.289204533,0.399277246,3.843725716,3.325230945,3.072480534,2.838982085,2.631339642,2.141548494,1.981263671,1.207644823,1.769484866,1.206690516,0.933903671,0.631337262,0.429191875,0.135164289,0.324777273,1.129609302,3.709736497,3.186847507,2.843630456,2.701410456,2.365021292,1.7395605,1.540572959,0.686584958,1.919274411,1.365446615,1.170933049,0.819057515,0.709144434,0.275003005,0.122348732,0.62745098,0,0,0,0,0,2,5,0,1,0,0,0,0.088388348,0.176776695,0,0,0,0.088388348,0.176776695,1.207106781,0.25,0,0,1.207106781,0.25,0,0,1.207106781,1.457106781,1.207106781,1.207106781,1.457106781,1.207106781,6.035533906,3.707106781,3.724873734,2.207106781,1.508883476,1.030330086,0.353553391,0,0.754441738,0.463388348,0.338624885,0.220710678,0.150888348,0.103033009,0.088388348,0,6.035533906,3.707106781,3.724873734,2.207106781,1.508883476,1.030330086,0.353553391,0,0.754441738,0.463388348,0.338624885,0.220710678,0.150888348,0.103033009,0.088388348,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.9767,36.866,29.99704517,41.45422905,59.99409034,7.499261292,29.99704517,0.157950336,0.019743792,-1.476379698,43.07086986,5.383858732,3.010277516,52,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,4.762222222,0,7.308958333,0,0,0,0,0,0,0,0,0,0.678819444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.381111111,0,1.451388889,0,0,0,0,0,0,0,0,0,0.678819444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.381111111,0,1.475625,0,0,0,0,0,0,0,0,0,0.678819444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.75,1.59375,0.2,2.381111111,0,0.678819444,5.746508681,0.571180556,0.381111111,1.524444444,0.571180556,0.381111111,1.524444444,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0,0.125,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.72242,1.0903,8.72242,0,0,3.70711,0.46339,3.70711,0,0,0.20689,0.02586,0.29289,0.03661,0.25,8,0,0,0,0,0,0,1,0.918295834,1.351227481,2.18979819,2.625814584,2.621653522,2.217090775,22.03910002,32.42945954,52.55515656,63.01955001,62.91968454,53.21017859,0.200284263,0.294708513,0.477604384,0.572701431,0.571793885,0.483557014,3.666666667,3.23373502,2.395164311,1.959147917,1.963308978,2.367871726,0.200284263,0.294708513,0.477604384,0.572701431,0.571793885,0.483557014,6.73287657,11.92805633,14.99670114,15.78187335,13.2084235,12.80069503,31.59900002,25.11476817,23.32880898,22.06315834,25.91927858,26.4586136,6.125,2.082644628,1.8,0,0,0,2.34,1.1272,0.5,3.701071725,0,2,6.083643419,0,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.111,0.198,0.227,3.71,11,10,10,10,4,0,0,0,0,61,2.197224577,2.48490665,2.397895273,2.397895273,2.397895273,1.609437912,0,0,0,0,4.127134385,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,2.5,0.888888889,0.375,0.222222222,0,0,0,0,0,0,0.3125,0.080808081,0.053571429,0.111111111,0,0,0,0,0,0,0.55799062,15.02648543,21.75770147,30.05297087,3.756621358,15.02648658,0.039689319,0.004961165,-2.581338532,42.88612548,5.360765685,3.006838687,0,134.567877,4,3.663561646,4.394449155,5.241747015,5.993961427,6.842683282,7.601402335,8.449556543,9.210440367,10.05813811,77.45593988,2.833213344,0,4.110873864,0,5.59471138,0,7.158513997,0,8.750999691,8.981304495,112.1252005,4.671883355,15.45878878,1.932348597,0,0,0,59,7,4.528,38,1.224166127,2.094237924,2.837703581,3.462235659,4.287288804,4.69929817,0,0,0,0,78.54273178,92.80959504,69.84087384,32.29304135,15.56996024,4.774787695,0,0,0,0,289.3400736,373.7598447,374.9085729,260.3705478,217.8438897,146.0717833,0,0,0,0,8.917064339,14.96986736,20.09971422,23.89163696,29.20758224,31.57206558,0,0,0,0,2.17096299,2.966341993,3.302402898,2.686663873,2.582520332,2.08936861,0,0,0,0,174.752874,319.6015529,444.6579025,590.6758662,760.6483066,868.9831837,0,0,0,0,2.325621618,3.430510401,4.571499896,4.519241808,4.999155808,4.69929817,0,0,0,0,0.449298446,0.62102891,0.703340051,0.588468819,0.578141591,0.481208133,0,0,0,0,321.8536803,131.4459954,8.222891172,81.8922884,-33.44505292,-4.382288063,239.9613919,164.8910484,12.60517924,0.797168778,0.325566088,0.020366497,0.202831222,-0.082836871,-0.010854073,129.9471259,53.07079076,3.319959162,33.06368131,-13.50330529,-1.769331139,0.066216686,0.146451469,0.684084356,1.160636704,403.7459687,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,966.5133885,31.08879844,9.887108304,1.3716744,1.3716744,303.3101519,266.3945771,159.8266801,1.138574798,1.897744179,1.666771636,3.626145416,3.651473827,5.904977379,0.617149036,4.463030152,6.231246365,6.837633902,10.88430292,22.36974835,11.7646149,11.76944373,6.257713045,6.330015961,0.094381613,0.405386603,4.20E-16,8.41E-53,3.25E-111,2.42E-191,3.47E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375119016,5.57572249,0.490820653,4.350945273,1.123392107,3.325383454,0.917545023,0.204858185,0.122884835,6.65E-04,0.002855171,2.96E-18,5.92E-55,2.29E-113,1.70E-193,2.44E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.209548647,5.619526722,1.614479357,5.024266163,4.100689585,4.838265802,1.899561946,0.872367458,0.665760378,0.006927076,0.029753083,3.09E-17,6.17E-54,2.38E-112,1.77E-192,2.54E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212771097,6.159275878,6.388287747,10.25075143,20.58810256,11.17377047,10.66887295,5.686219389,5.693845838,0.084092318,0.361192165,3.75E-16,7.49E-53,2.89E-111,2.15E-191,3.09E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.782358484,5.67632046,2.436864976,5.682529664,6.548185581,5.93908965,2.93981482,1.499244817,1.253437274,0.015046536,0.064627672,6.70E-17,1.34E-53,5.17E-112,3.85E-192,5.53E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389626864,6.533872369,8.570392928,13.49527606,29.51247367,14.03649524,16.33966306,8.601851619,8.976333924,0.137646712,0.591218261,6.13E-16,1.23E-52,4.73E-111,3.52E-191,5.06E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.965149212,5.241737519,3.874484604,7.734461384,11.47984904,8.55956034,5.772694665,3.079795162,2.863265266,0.037157544,0.15959857,1.66E-16,3.31E-53,1.28E-111,9.51E-192,1.36E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.479514822,1.414230778,1.107091766,0.495819928,0.282798794,0.516392398,0.476757773,0.448349385,5.000837366,7.817339868,16.70031206,0.243729892,1.441499556,1.832699571,0.877549636,0.548044161,0.562472241,0.269328,0.281717939,0.185185915,0.110759795,3.258293368,3.093621094,7.233325578,0.343708361,0.577663649,2.089455252,1.090578613,0.770341419,0.528925761,0.276069622,0.366358508,0.284969525,0.218187825,3.950375283,4.728427008,10.434191,0.293388641,0.869515858,2.463488409,1.400929584,1.093278893,0.49690178,0.282576692,0.50971709,0.467923087,0.437329334,4.957696886,7.676060418,16.40685277,0.24535267,1.414969511,2.203963347,1.185580374,0.869320957,0.517500206,0.278379442,0.407716922,0.336250167,0.277464407,4.258864678,5.55957708,12.08995628,0.276250309,1.021431496,2.529693049,1.455879247,1.150326394,0.492551197,0.283471177,0.537576151,0.504949315,0.483707885,5.13589869,8.267636618,17.64010415,0.238826796,1.526233351,2.470440157,1.402063718,1.09898729,0.496921361,0.28202076,0.512587991,0.46847145,0.441487345,4.971491164,7.719547048,16.49761644,0.245382042,1.422546787 +UMLYSI0151,L,"2-methyl-1,5-hexadiene",CC(=C)CCC=C,alkynes/alkadienes,C7H12,4049-81-4,19965,PubChem,,67.7,0,2.1794,4.74978436,33.8936,20.321516,0,0,19,7,12,0,7,0,0,0,0,0,0,0,0,0,1022.041615,1010.869782,1078.51767,863.64802,624.645003,411.71693,114.044112,10.16064,0,3337.623245,3917.940807,4709.2101,4581.679739,3560.705712,2314.835773,1188.048269,310.8374443,0,133.40518,130.65468,213.272088,247.615312,270.074604,173.198216,97.651008,67.18464,0,24.85765486,30.09593172,38.7759436,40.32402237,33.73780425,21.82427946,12.24496331,4.446129048,0,3106.572317,2598.236709,4658.273012,5508.337238,6592.287081,4220.53877,2302.69119,1849.17652,0,45.27777778,48.08333333,60.66666667,71.66666667,65.16666667,47.33333333,30,10,0,53.79166395,56.15943233,35.950589,24.67565771,16.01653854,16.4686772,8.146008,1.016064,0,175.6643813,217.6633782,156.97367,130.9051354,91.30014646,92.59343091,84.86059068,31.08374443,0,7.021325263,7.258593333,7.1090696,7.0747232,6.924989846,6.92792864,6.975072,6.718464,0,1.308297624,1.671996207,1.292531453,1.152114925,0.865071904,0.872971178,0.874640237,0.444612905,0,163.5038062,144.3464838,155.2757671,157.3810639,169.0330021,168.8215508,164.4779421,184.917652,0,2.383040936,2.671296296,2.022222222,2.047619048,1.670940171,1.893333333,2.142857143,1,0,0.059487091,-0.007311604,-0.019878788,-0.021201164,0.023137653,-6.22E-04,-0.023983047,0.020115517,0,535.2391977,-48.29225844,-74.11520219,-323.2898412,112.0112105,73.10911347,-171.3704449,164.3278239,0,995.3001436,-89.80151672,-137.8203833,-601.1712647,208.2896291,135.9495184,-318.67066,305.5746055,0,0.104849684,-0.009460122,-0.014518659,-0.06333026,0.021942227,0.014321573,-0.033570294,0.032190693,0,4.449454733,-0.401454562,-0.616121238,-2.687515265,0.931151554,0.607757601,-1.424606121,1.366060664,0,24.16950873,-2.180707554,-3.346780344,-14.59862557,5.058030022,3.301348937,-7.738483058,7.420463206,0,7.850877193,-2.073638042,-0.004309018,-4.652200677,1.873345645,3.479839951,-4.176669745,1.62819329,0,0.0031309,-4.06E-04,-6.63E-04,-6.06E-04,5.93E-04,-2.49E-05,-0.001713075,0.002011552,0,28.17048409,-2.682903247,-2.47050674,-9.236852606,2.872082322,2.924364539,-12.24074606,16.43278239,0,52.38421809,-4.988973151,-4.594012777,-17.17632185,5.340759719,5.437980735,-22.76219,30.55746055,0,0.005518404,-5.26E-04,-4.84E-04,-0.001809436,5.63E-04,5.73E-04,-0.002397878,0.003219069,0,0.234181828,-0.022303031,-0.020537375,-0.07678615,0.023875681,0.024310304,-0.10175758,0.136606066,0,1.272079407,-0.12115042,-0.111559345,-0.417103588,0.129693077,0.132053957,-0.55274879,0.742046321,0,0.413204063,-0.115202113,-1.44E-04,-0.132920019,0.048034504,0.139193598,-0.298333553,0.162819329,0,-0.129739143,-0.211640861,-0.193473966,0.189489682,-0.007948038,-0.547150993,0.642483647,0,-0.095238095,-0.087698413,-0.327891156,0.101953602,0.103809524,-0.43452381,0.583333333,0,-0.095238095,-0.087698413,-0.327891156,0.101953602,0.103809524,-0.43452381,0.583333333,0,-0.095238095,-0.087698413,-0.327891156,0.101953602,0.103809524,-0.43452381,0.583333333,0,-0.095238095,-0.087698413,-0.327891156,0.101953602,0.103809524,-0.43452381,0.583333333,0,-0.095238095,-0.087698413,-0.327891156,0.101953602,0.103809524,-0.43452381,0.583333333,0,-0.278801986,-3.48E-04,-0.321681298,0.116248866,0.33686406,-0.722000532,0.394040968,0,1.306279412,1.17444841,1.121417808,0.582527656,0.972687931,1.811879925,0.060179922,0,1.357142857,1.153571429,1.337755102,0.730769231,0.732857143,1.308673469,0,0,1.357142857,1.153571429,1.337755102,0.730769231,0.732857143,1.308673469,0,0,1.357142857,1.153571429,1.337755102,0.730769231,0.732857143,1.308673469,0,0,1.357142857,1.153571429,1.337755102,0.730769231,0.732857143,1.308673469,0,0,1.357142857,1.153571429,1.337755102,0.730769231,0.732857143,1.308673469,0,0,1.539106145,0.702681564,1.36745411,0.675247099,0.545162011,2.456504389,0,0,27.02042357,13.51021178,21.93915647,27.02042357,3.86006051,13.51021611,-8.88E-15,0.057307395,0.008186771,-2.001527925,24.75131003,3.535901434,2.246214893,27.02042357,13.51021178,21.93915647,27.02042357,3.86006051,13.51021611,-8.88E-15,0.057307395,0.008186771,-2.001527925,24.75131003,3.535901434,2.246214893,27.02042357,13.51021178,21.93915647,27.02042357,3.86006051,13.51021611,-8.88E-15,0.057307395,0.008186771,-2.001527925,24.75131003,3.535901434,2.246214893,27.02042357,13.51021178,21.93915647,27.02042357,3.86006051,13.51021611,-8.88E-15,0.057307395,0.008186771,-2.001527925,24.75131003,3.535901434,2.246214893,27.02042357,13.51021178,21.93915647,27.02042357,3.86006051,13.51021611,-8.88E-15,0.057307395,0.008186771,-2.001527925,24.75131003,3.535901434,2.246214893,27.02042357,13.51021178,21.93915647,27.02042357,3.86006051,13.51021611,-8.88E-15,0.057307395,0.008186771,-2.001527925,24.75131003,3.535901434,2.246214893,42.34318792,20.90016539,35.13486911,41.95543282,5.99363326,20.90016539,-0.542857143,0.053050097,0.007578585,-2.05556301,22.7722738,3.253181972,2.187880614,0,11.79,12.21004853,-0.306798895,0.113428937,5.147520542,7.59280111,6,18,16,16,4,2,2,0,0,2,13.118484,3.538774595,3.199190793,2.494268124,2.218893252,1.608421099,0.921984114,0.424366813,0.083923071,1.878964188,1.62061792,1.234496474,1.091515703,0.72610693,0.350659152,0.083923071,0.083923071,3.560441657,3.225619898,2.545748843,2.286804697,1.696358357,1.047892263,0.536914421,0.270913902,1.826727436,1.555570876,1.132874924,0.980898185,0.588586516,0.189638788,0.270913902,0.270913902,3.657917259,3.345581855,2.772635653,2.570125102,2.064577169,1.54480273,0.963715902,0.943918427,1.677806501,1.370225813,0.817501285,0.623468631,0.133586507,0.366743629,0.943918427,0.943918427,3.57652198,3.245296968,2.583796208,2.336074927,1.760360758,1.137650215,0.616162691,0.399277246,1.79387628,1.514631529,1.066576556,0.907792663,0.496776652,0.080546595,0.399277246,0.399277246,3.706686568,3.406080052,2.881572158,2.698375876,2.230100595,1.754921597,1.207644823,1.207644823,1.632878946,1.314626133,0.715366223,0.500857327,0.025299651,0.572404496,1.134156575,1.207644823,3.553898545,3.358851922,2.577485322,2.459047424,1.748021333,1.192541037,0.591684811,0.477272727,1.871212407,1.464955656,1.024617639,0.770909412,0.47433308,0.011865838,0.477272727,0.477272727,0,0,2,1,1,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.25,0,0,0,0.288675135,0.204124145,0.204124145,0.176776695,0.102062073,0.072168784,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,4.905777394,2.523603362,1.78445705,0.775238408,0.348461713,0.174230856,0,0,0.700825342,0.42060056,0.297409508,0.193809602,0.116153904,0.087115428,0,0,10.25096682,18.32702112,17.35294118,17.56,11.79132695,144.9122251,0.53952457,0.964580059,0.913312693,0.924210526,0.620596155,7.626959218,2.38108,33.705,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,1,0,0,2,3,0,3,0,0,0,0,0,0,0,0,1,2,2,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.4837963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.778472222,0.349722222,0,0,0.667361111,0.974583333,0,1.128194444,0,0,0,0,0,0,0,0,2.03125,7.336388889,2.15162037,0,1.911388889,0,0,0,0,1.236018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.236018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.378819444,0.349722222,0,0,0.333680556,0.307222222,0,0.349722222,0,0,0,0,0,0,0,0,2.03125,3.591527778,1.064814815,0,1.911388889,0,0,0,0,1.236018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.744861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.399652778,0.349722222,0,0,0.333680556,0.333680556,0,0.399652778,0,0,0,0,0,0,0,0,2.03125,3.744861111,1.086805556,0,1.911388889,0,0,0,0,1.236018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66666667,2.095238095,0.399652778,3.744861111,0.097222222,1.064814815,4.608462963,0.435185185,0.744861111,2.735277778,0.435185185,0.744861111,2.735277778,3.5,0.5,0,0,0.44737,0.7,0.42174,0.42174,0.7,0.02563,0.02563,0,0,0.71429,0,0,0.42857,0.14286,0,5,0.71429,3,0.42857,2,0.28571,-1,-0.14286,0,0,4.57549,0.65364,7.02591,2.45042,0.35006,2.16387,0.30912,3.27005,1.10618,0.15803,0.14395,0.02056,0.14395,0.02056,0,6,0,0,0,0,0,0,0.428571429,0.949452015,2.392078833,3.155565013,3.471354487,3.471354487,2.918941065,18.03958829,45.44949783,59.95573525,65.95573525,65.95573525,55.45988023,0.223509467,0.563116679,0.742848131,0.817187788,0.817187788,0.687144744,3.298475498,1.85584868,1.0923625,0.776573026,0.776573026,1.328986449,0.219682511,0.553474926,0.730128994,0.803195798,0.803195798,0.675379368,6.790838447,17.29969364,20.38329622,19.54448571,19.54448571,15.22966673,27.3155423,18.4790136,14.66111835,15.02997571,15.02997571,11.4527736,7,4.166666667,6,7,2,6,2.23,1.0089,0.814325285,3.639717277,1.889881575,0,2.381101578,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.127,0.124,0.183,0.302,3.03,6,4,3,2,0,0,0,0,0,28,2.197224577,2.302585093,1.945910149,1.791759469,1.945910149,0,0,0,0,0,3.737669618,1.464285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,4,0.666666667,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,0,124.3554337,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,96.09390038,5.057573704,12.67036528,1.810052182,0,0,0,52,4,3.084,24,1.221333333,2.142559445,2.979472755,3.619883845,4.598201308,5.858706904,6.619931154,0,0,0,78.57458474,86.81911373,82.11452763,70.84939641,90.21281654,49.7966886,6.726273728,0,0,0,289.1696052,363.1753404,412.075784,369.4850518,475.612414,512.798267,205.7722481,0,0,0,8.897113227,15.28794112,21.11883896,25.16500163,32.0031559,40.9394603,44.47576914,0,0,0,2.16864713,2.929789636,3.559647622,3.376210792,4.344165514,5.249205842,2.94330682,0,0,0,174.3059311,328.7027717,466.192218,604.7472565,765.190084,957.6892685,1224.142125,0,0,0,3.340402778,4.526436405,6.227698893,6.368913766,9.372861736,12.78850795,6.619931154,0,0,0,0.44878,0.615114922,0.755918591,0.72607347,0.933867899,1.143877408,0.67788095,0,0,0,352.1608864,167.8902047,13.66774135,218.8511655,-104.3357408,-15.75603053,133.3097209,272.2259455,29.42377188,0.616731092,0.294022174,0.023935995,0.383268908,-0.182720733,-0.027593166,201.0881103,95.86733028,7.80444503,124.9666531,-59.57696546,-8.996883324,0.118804652,0.215254563,2.578266397,5.347877917,571.0120519,0,1,0,415.9645413,20.39520878,7.464810208,533.2705357,23.09265112,8.109284358,634.5931383,25.19113214,8.593401908,2.005676971,2.005676971,493.1839566,437.2666611,65.94661011,1.127879165,7.478533859,6.630616197,3.98042964,4.57798827,7.996921792,0.74682007,3.755121664,4.086253798,5.731356969,10.99916447,3.528576604,7.138031623,4.920849952,4.056409442,4.588596819,1.007235661,2.570411453,2.512748902,1.060225836,0.007765143,0.999052913,1.02E-11,2.01E-44,7.63E-99,5.59E-175,7.89E-273,0,0,0,0,0,0,0,0,0,0,0.315162755,4.086108115,0.257863896,5.470437352,0.047846278,0.348722614,0.423701936,0.126876861,2.080010483,0.009077939,0.071196381,0.213058844,0.077861087,5.48E-05,0.007036411,7.18E-14,1.41E-46,5.37E-101,3.93E-177,5.56E-275,0,0,0,0,0,0,0,0,0,0,1.017331706,4.086118202,0.979442263,6.040592132,0.317506178,1.283162766,1.10289386,0.549955225,2.499111879,0.079022212,0.322528577,0.682470508,0.258669941,5.70E-04,0.073324831,7.49E-13,1.47E-45,5.60E-100,4.10E-176,5.79E-274,0,0,0,0,0,0,0,0,0,0,3.544529844,4.086237928,5.256295784,10.46316473,3.159537253,6.562703718,4.561068198,3.681760488,4.402138718,0.898794799,2.32585258,2.371962072,0.993112457,0.006918672,0.890138159,9.09E-12,1.79E-44,6.79E-99,4.98E-175,7.03E-273,0,0,0,0,0,0,0,0,0,0,1.499348678,4.086130961,1.592268256,6.597778994,0.633511203,2.058657399,1.640034132,0.952925036,2.81441198,0.166765049,0.571906558,1.004708118,0.38864267,0.001238253,0.159271332,1.63E-12,3.20E-45,1.22E-99,8.90E-176,1.26E-273,0,0,0,0,0,0,0,0,0,0,4.534848383,4.08632045,7.649229059,13.20801649,5.072034469,9.449529345,6.348868707,5.59581023,5.316304829,1.462487972,3.579860926,3.034020812,1.316634596,0.0113244,1.45702478,1.49E-11,2.93E-44,1.11E-98,8.15E-175,1.15E-272,0,0,0,0,0,0,0,0,0,0,1.912236038,2.672292416,1.902148658,6.654913368,0.901384563,2.173823671,2.28178964,1.178171482,3.545507296,0.235315401,0.752112264,1.520718724,0.618782564,0.001769117,0.22757352,2.32E-12,4.57E-45,1.74E-99,1.27E-175,1.80E-273,0,0,0,0,0,0,0,0,0,0,5.413305624,1.269907368,0.261880113,0.779443204,0.182849581,0.506292288,0.512322865,0.3157786,6.945093105,8.624597271,17.36995816,0.669164807,1.334393753,4.503695543,0.634326538,0.052151102,0.867735119,0.122216835,0.351813822,0.132668805,0.012522892,5.190173184,3.124767117,8.463926279,0.801602678,0.497005519,4.84671103,0.875911688,0.131499041,0.827914285,0.149623073,0.406647771,0.24981098,0.079620119,5.854121759,4.997810239,11.41018367,0.741871427,0.73607887,5.388857256,1.253026964,0.256270552,0.781202718,0.181646687,0.501757187,0.499360984,0.302395319,6.898154772,8.454502783,17.08309459,0.671804077,1.30351349,5.007091016,0.988047265,0.168487622,0.812361278,0.160302926,0.433700362,0.31579264,0.130711457,6.163625903,5.957349175,12.95452421,0.718541917,0.880204459,5.490537329,1.323164622,0.279591401,0.77404628,0.186537417,0.520758992,0.554180182,0.359935991,7.093293352,9.169937224,18.29442988,0.661069419,1.434875165,5.416963586,1.255294104,0.255304521,0.781943694,0.181202863,0.507063225,0.502278101,0.300119812,6.927562211,8.503340005,17.16694295,0.672915541,1.309461137 +UMLYSI0152,L,"1,3-dimethylcyclohexane",CC1CCCC(C1)C,cyclic alkanes,C8H16,591-21-9,11564,PubChem,,67.6,0,0.5524,0.30514576,33.7512,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1516.485775,813.449451,220.131072,21.337344,0,0,3885.475125,5223.921076,7758.63172,8237.925345,5757.609485,2643.963217,652.758633,0,0,167.819552,174.20624,341.883496,485.2951,497.372268,288.562176,141.087744,0,0,29.42500648,40.12790896,63.51436973,73.84555631,57.77506978,29.37664449,9.336871002,0,0,3973.037281,3464.315612,7404.551417,11080.65075,12249.43814,7257.819716,3883.270693,0,0,36.55555556,44.5,75.19444444,102.5833333,94.33333333,55,21,0,0,48.76541633,56.15943233,37.32917321,21.97805471,11.29790904,5.241216,1.016064,0,0,161.8947969,217.6633782,161.6381608,119.3902224,79.96679841,62.95150517,31.08374443,0,0,6.992481333,7.258593333,7.122572833,7.033262319,6.907948167,6.870528,6.718464,0,0,1.226041937,1.671996207,1.323216036,1.070225454,0.802431525,0.699443916,0.444612905,0,0,165.54322,144.3464838,154.2614879,160.5891412,170.1310852,172.8052313,184.917652,0,0,1.523148148,1.854166667,1.566550926,1.486714976,1.310185185,1.30952381,1,0,0,0.032199942,-0.002797727,-0.003697588,-0.018142177,0.001119485,-0.004814924,0.012232959,0,0,645.6853813,6.32E-13,-80.71067267,-403.5533633,-40.35533633,-80.71067267,282.4873543,0,0,1200.679538,0,-150.0849423,-750.4247115,-75.04247115,-150.0849423,525.297298,0,0,0.126485333,2.94E-15,-0.015810667,-0.079053333,-0.007905333,-0.015810667,0.055337333,0,0,5.367596186,1.20E-14,-0.670949523,-3.354747616,-0.335474762,-0.670949523,2.348323331,0,0,29.15686767,-1.14E-13,-3.644608459,-18.22304229,-1.822304229,-3.644608459,12.75612961,0,0,2.314814815,-0.888888889,0.342592593,-1.233796296,0.768518519,-0.939814815,0.793981481,0,0,0.001341664,-1.17E-04,-7.70E-05,-2.63E-04,1.55E-05,-1.15E-04,5.83E-04,0,0,26.90355756,2.63E-14,-1.681472347,-5.848599469,-0.560490782,-1.921682683,13.45177878,0,0,50.0283141,0,-3.126769631,-10.87572046,-1.042256544,-3.573451007,25.01415705,0,0,0.005270222,1.22E-16,-3.29E-04,-0.0011457,-1.10E-04,-3.76E-04,0.002635111,0,0,0.223649841,5.02E-16,-0.013978115,-0.048619531,-0.004659372,-0.015974989,0.111824921,0,0,1.214869486,-4.74E-15,-0.075929343,-0.264102062,-0.025309781,-0.086776392,0.607434743,0,0,0.096450617,-0.037037037,0.007137346,-0.017881106,0.010673868,-0.022376543,0.037808642,0,0,-0.086886076,-0.057416064,-0.195973098,0.011588896,-0.085446892,0.434178552,0,0,9.79E-16,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,0,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,2.32E-14,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,2.24E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,-3.90E-15,-0.0625,-0.217391304,-0.020833333,-0.071428571,0.5,0,0,-0.384,0.074,-0.185391304,0.110666667,-0.232,0.392,0,0,1.52427482,1.164805064,1.242354694,0.820810083,0.919861694,0.002465251,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.4375,1.2578125,1.25,0.838541667,0.821428571,0,0,0,1.909,0.78775,1.196,0.732166667,1.360285714,0,0,0,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,31.14138756,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,-1.07E-14,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,35.83226547,17.82585496,25.82505281,35.72762192,4.46595274,17.82585502,-0.180555556,0.003886333,4.86E-04,-4.440231442,56.95949686,7.119937107,3.233872347,0,11.89,12.11011416,-0.163184458,0.057757171,5.99173565,8.131494617,8,24,24,24,8,0,0,0,0,0,17.491312,3.657350533,3.042364541,2.853663763,2.228199052,2.17548746,1.377970367,1.099508061,0.848898167,2.009882053,1.585950347,1.461105401,1.122580275,1.066605404,0.622488404,0.413035098,0.330410394,3.680932934,3.078435564,2.895085076,2.297520321,2.243749091,1.481273271,1.209688389,0.983826043,1.957719315,1.506815679,1.37483188,1.009371871,0.952794097,0.47545632,0.259521562,0.166688749,3.784792767,3.239284907,3.077882533,2.587690342,2.531187307,1.901999654,1.656579633,1.505179962,1.805580128,1.271648566,1.11426999,0.642452217,0.585704835,0.021015099,0.262056834,0.403334114,3.698311237,3.105160529,2.925676806,2.347875851,2.293440723,1.555731248,1.289020676,1.079174122,1.924629286,1.45612622,1.31921624,0.934416605,0.877571657,0.376614638,0.156092313,0.055506268,3.83554735,3.318282267,3.166469981,2.719383743,2.662420938,2.08581738,1.850629028,1.722040714,1.758439799,1.19828528,1.031595087,0.516627122,0.460560939,0.199076829,0.450448455,0.616550127,3.693337584,3.202528088,2.992569805,2.501366942,2.414575883,1.676969391,1.403180493,1.232251244,1.913934192,1.349624362,1.230310518,0.753942722,0.722583699,0.2174035,7.08E-04,0.124359124,0,0,0,0,0,2,4,2,0,0,0,0,0.083333333,0.166666667,0,0,0,0.083333333,0.166666667,0.577350269,0,0,0,0.577350269,0,0,0,0.741581624,1.093412989,1.020220057,0.741581624,1.093412989,1.020220057,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,5.983127663,3.7876937,3.376949351,2.198584704,1.73736354,0.971404521,0.451184464,0,0.747890958,0.473461713,0.337694935,0.21985847,0.15794214,0.097140452,0.090236893,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,30.91733718,41.28122386,61.83467437,7.729334296,30.91733718,1.11E-16,1.39E-17,-29.38944046,4000010.293,500001.2866,12.16144599,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.741388889,0,5.899814815,0,0,0,2.025462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.472222222,0,0,0,1.012731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.370694444,0,1.476527778,0,0,0,1.012731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.370694444,0.2,1.012731481,5.7528125,0.320601852,0.370694444,1.482777778,0.320601852,0.370694444,1.482777778,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.42549,1.05319,8.42549,0,0,3.78768,0.47346,3.78768,0,0,0.12632,0.01579,0.21232,0.02654,0.25,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.605388542,3.105388542,3.105388542,3.105388542,22.03910002,34.03910002,62.52932501,74.52932501,74.52932501,74.52932501,0.200284263,0.309336409,0.568246423,0.677298569,0.677298569,0.677298569,3.666666667,3.166666667,1.979573959,1.479573959,1.479573959,1.479573959,0.200284263,0.309336409,0.568246423,0.677298569,0.677298569,0.677298569,6.73287657,12.73287657,16.67730206,17.18121457,17.18121457,17.18121457,31.59900002,23.74937501,20.87142917,19.56315834,19.56315834,19.56315834,6.125,2.52,1.8,0,0,0,2.34,1.1272,0.25,3.039342743,2.309401077,0,3.532775529,5.111544834,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,10,11,10,5,0,0,0,0,62,2.197224577,2.397895273,2.397895273,2.48490665,2.397895273,1.791759469,0,0,0,0,4.143134726,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,4,0.333333333,2,0.666666667,0.5,0.222222222,0,0,0,0,0,0,0.25,0.066666667,0.071428571,0.074074074,0,0,0,0,0,0,0.462169312,15.57069378,22.3991209,31.14138756,3.892673444,15.57069445,6.66E-16,8.33E-17,-27.95603288,4000010.414,500001.3017,12.16144602,0,134.567877,4,3.610917913,4.343805422,5.141663557,5.888877958,6.690842277,7.44132039,8.24407127,8.995288991,9.798182591,76.15497037,2.833213344,0,4.043051268,0,5.451038454,0,6.947937069,0,8.479906607,8.727292029,112.1252005,4.671883355,15.53295821,1.941619777,0,0,0,61,7,4.43,36,1.224166127,2.094794846,2.815360989,3.489894013,4.439762854,5.234822833,0,0,0,0,78.54273178,86.43663066,67.8113012,45.08600372,24.51685715,5.318915027,0,0,0,0,289.3400736,361.1040737,354.6330967,300.4382172,288.8958816,162.7178951,0,0,0,0,8.917064339,14.96718785,19.8493851,24.17740647,30.5483984,35.16996875,0,0,0,0,2.17096299,2.906091803,3.130761575,2.946641408,3.180581352,2.327469786,0,0,0,0,174.752874,319.837531,448.5568451,588.4393715,763.6391302,968.0111471,0,0,0,0,2.316970341,3.363889538,4.261770818,4.721366424,5.924555878,5.234822833,0,0,0,0,0.449298446,0.609779712,0.667645828,0.640414087,0.702831927,0.536045858,0,0,0,0,321.0794086,132.0896224,8.183305806,78.87321786,-32.4478409,-4.160308244,242.2061907,164.5374633,12.34361405,0.802793599,0.33026317,0.020460688,0.197206401,-0.081129211,-0.010402003,128.4165528,52.82959141,3.27293465,31.54555064,-12.97759919,-1.663926209,0.072048215,0.151462109,1.219298384,1.257505672,399.9526264,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,944.3601888,30.73044401,9.810983759,1.450520005,1.450520005,381.2891891,275.4956943,155.7912984,1.384011427,2.447435723,1.768363812,3.772133311,3.780722771,6.119384403,0.618575276,4.463030408,6.04063106,10.54903683,10.27695489,18.11070208,7.982806813,8.977707478,8.889325298,6.051727121,1.418965368,2.063211621,5.11E-07,2.09E-34,1.66E-83,2.53E-154,7.43E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375119018,5.574379929,0.709898736,4.143463853,0.980576918,1.563715784,1.875205062,0.452500548,0.215868777,0.048916832,0.014531368,3.60E-09,1.48E-36,1.17E-85,1.78E-156,5.23E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.209548666,5.605536529,2.36556285,4.903279592,3.501264153,2.643424374,2.573215013,1.406741644,0.88926181,0.204144599,0.15142806,3.75E-08,1.54E-35,1.22E-84,1.85E-155,5.45E-248,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212771325,5.989441044,9.821913408,9.727356866,16.71675408,7.508268493,8.276948801,8.101173223,5.511268929,1.291073351,1.83828441,4.55E-07,1.87E-34,1.48E-83,2.25E-154,6.62E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.782358525,5.645931995,3.606852369,5.57100193,5.521412669,3.453069916,3.275590724,2.289802073,1.505279484,0.347648947,0.328921981,8.15E-08,3.34E-35,2.64E-84,4.03E-155,1.18E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389627238,6.255877998,13.3829241,12.50955793,23.66387409,9.832420878,11.87426607,12.11594233,8.260800307,1.94247179,3.009000246,7.45E-07,3.06E-34,2.42E-83,3.68E-154,1.08E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.967193635,5.314903157,6.001497642,7.323199855,9.59201458,5.152280359,5.42735884,4.72040677,3.229093153,0.767965652,0.822998542,2.04E-07,8.36E-35,6.61E-84,1.01E-154,2.96E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.058983373,1.717931863,0.67707967,0.560870229,0.314985968,0.522422968,0.507720656,0.420623378,5.453994906,8.489477195,17.5016104,0.341305344,1.450767002,2.233968092,1.169777309,0.222885384,0.615989943,0.322552082,0.279600997,0.235449416,0.046118985,3.626630785,3.371890284,7.580975225,0.423984915,0.561169398,2.561347011,1.387521326,0.403532162,0.588490653,0.318794497,0.366920236,0.331241845,0.150505751,4.3524005,5.147418981,10.93394196,0.382735979,0.848667832,3.038531807,1.704364152,0.66585856,0.561780313,0.315112129,0.515490141,0.499735204,0.406921799,5.408754519,8.33686256,17.19394188,0.34267047,1.422147145,2.707405743,1.484562455,0.483937736,0.579012021,0.317491942,0.409710374,0.379182186,0.216003492,4.675905934,6.047964516,12.66896764,0.368518031,1.004896052,3.123018961,1.760407985,0.712203533,0.55811744,0.314604045,0.544431012,0.533129594,0.464948749,5.595630479,8.975781441,18.48695561,0.337176161,1.542509355,3.054454474,1.707393034,0.667643312,0.562567389,0.314466511,0.52083036,0.501525612,0.40879914,5.42949082,8.394369934,17.30572364,0.343851083,1.431155113 +UMLYSI0153,L,"1,4-dimethylcyclohexane",CC1CCC(CC1)C,cyclic alkanes,C8H16,589-90-2,11523,PubChem,,67.6,0,1.2892,1.66203664,34.8778,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1791.800314,1516.485775,692.383442,274.650937,78.738912,9.144576,0,3885.475125,5223.921076,7758.63172,8237.925345,5532.482072,2367.173399,874.9221648,279.7536999,0,167.819552,174.20624,341.883496,485.2951,497.348552,286.190884,83.016576,60.466176,0,29.42500648,40.12790896,63.51436973,73.84555631,56.76864549,26.36948034,9.348943289,4.001516144,0,3973.037281,3464.315612,7404.551417,11080.65075,12243.97122,7454.057255,2028.241198,1664.258868,0,36.55555556,44.5,75.16666667,102.9444444,94,49,18,9,0,48.76541633,56.15943233,37.32917321,21.97805471,9.616436694,6.539308024,6.561576,1.016064,0,161.8947969,217.6633782,161.6381608,119.3902224,76.84002878,56.3612714,72.9101804,31.08374443,0,6.992481333,7.258593333,7.122572833,7.033262319,6.907618778,6.814068667,6.918048,6.718464,0,1.226041937,1.671996207,1.323216036,1.070225454,0.78845341,0.62784477,0.779078607,0.444612905,0,165.54322,144.3464838,154.2614879,160.5891412,170.0551559,177.4775537,169.0200999,184.917652,0,1.523148148,1.854166667,1.565972222,1.49194847,1.305555556,1.166666667,1.5,1,0,0.032184881,-0.002794163,-0.003374751,-0.017556483,-0.008175392,0.015521998,-0.004542298,0.004828648,0,645.6853813,6.32E-13,-80.71067267,-403.5533633,-161.4213453,282.4873543,-80.71067267,121.066009,0,1200.679538,-5.68E-14,-150.0849423,-750.4247115,-300.1698846,525.297298,-150.0849423,225.1274134,0,0.126485333,2.94E-15,-0.015810667,-0.079053333,-0.031621333,0.055337333,-0.015810667,0.023716,0,5.367596186,1.20E-14,-0.670949523,-3.354747616,-1.341899046,2.348323331,-0.670949523,1.006424285,0,29.15686767,-1.15E-13,-3.644608459,-18.22304229,-7.289216918,12.75612961,-3.644608459,5.466912688,0,2.314814815,-0.888888889,0.314814815,-0.872685185,-0.759259259,1.421296296,-0.712962963,0.340277778,0,0.001341037,-1.16E-04,-7.03E-05,-2.54E-04,-1.14E-04,3.70E-04,-3.79E-04,5.37E-04,0,26.90355756,2.63E-14,-1.681472347,-5.848599469,-2.24196313,6.725889389,-6.725889389,13.45177878,0,50.0283141,-2.37E-15,-3.126769631,-10.87572046,-4.169026175,12.50707852,-12.50707852,25.01415705,0,0.005270222,1.22E-16,-3.29E-04,-0.0011457,-4.39E-04,0.001317556,-0.001317556,0.002635111,0,0.223649841,5.02E-16,-0.013978115,-0.048619531,-0.018637487,0.05591246,-0.05591246,0.111824921,0,1.214869486,-4.81E-15,-0.075929343,-0.264102062,-0.101239124,0.303717372,-0.303717372,0.607434743,0,0.096450617,-0.037037037,0.006558642,-0.012647611,-0.010545267,0.033840388,-0.05941358,0.037808642,0,-0.086816021,-0.052427578,-0.18973514,-0.084671142,0.275586333,-0.28226284,0.400075908,0,9.79E-16,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,-4.73E-17,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,2.32E-14,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,2.24E-15,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,-3.96E-15,-0.0625,-0.217391304,-0.083333333,0.25,-0.25,0.5,0,-0.384,0.068,-0.131130435,-0.109333333,0.350857143,-0.616,0.392,0,1.523968426,1.160656604,1.242993329,0.924081426,0.372814716,1.312885028,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.4375,1.2578125,1.25,0.8984375,0.410714286,1.078125,0,0,1.909,0.7935,1.144,0.973666667,0.315428571,2.484,0,0,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,31.77638883,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,0,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,36.37046045,18.09495245,27.0767301,36.23504379,4.529380473,18.0949525,-0.180555556,4.44E-16,5.55E-17,-28.28040497,32.36841845,4.046052306,2.781746567,0,11.9,12.10012615,-0.149968906,0.050155463,5.91796875,7.969458799,8,24,24,24,8,0,0,0,0,0,17.491312,3.655766806,3.083686372,2.750129472,2.44126965,1.98485383,1.456797487,1.048635851,0.862362243,2.009462833,1.609084769,1.372874417,1.28028651,0.944510797,0.666206401,0.389383891,0.340307529,3.679464424,3.118291847,2.792995694,2.504797867,2.060065054,1.556142907,1.161811883,0.99706418,1.957193507,1.532051243,1.285229005,1.171855019,0.8242471,0.522081792,0.233630849,0.177034125,3.78376187,3.273013991,2.981537655,2.773435551,2.373411403,1.9628467,1.619577835,1.517277249,1.804623849,1.304234134,1.018928274,0.824648026,0.432252462,0.037619229,0.297324512,0.39146662,3.696923778,3.143950862,2.824624264,2.551095198,2.114622617,1.62787375,1.243233128,1.092231731,1.92402584,1.482803942,1.228596505,1.100379875,0.744460974,0.425347018,0.128567758,0.066155451,3.834691516,3.349275902,3.072480534,2.896868808,2.514757382,2.141548494,1.817637207,1.733584328,1.75730828,1.233507639,0.933903671,0.707223716,0.296913179,0.135164289,0.489848852,0.604157756,3.69204087,3.236430581,2.849225422,2.747143852,2.240598706,1.744477468,1.36150057,1.245632369,1.913033002,1.380144269,1.1655301,0.892837838,0.586754488,0.270278054,0.030577606,0.113581886,0,0,0,0,0,2,4,2,0,0,0,0,0.083333333,0.166666667,0,0,0,0.083333333,0.166666667,0.577350269,0,0,0,0.577350269,0,0,0,0.816496581,0.760079655,1.138071187,0.816496581,0.760079655,1.138071187,5.983127663,3.7876937,3.365043969,2.304530453,1.426746322,1.304737854,0.333333333,0,0.747890958,0.473461713,0.336504397,0.230453045,0.142674632,0.108728155,0.083333333,0,5.983127663,3.7876937,3.365043969,2.304530453,1.426746322,1.304737854,0.333333333,0,0.747890958,0.473461713,0.336504397,0.230453045,0.142674632,0.108728155,0.083333333,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.8326,36.796,30.70152702,40.30404889,61.40305404,7.675381755,30.70152702,0.094421893,0.011802737,-1.887985849,23.37145629,2.921432036,2.521212369,58,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.733888889,0,5.893518519,0,0,0,2.039259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.366944444,0,1.47337963,0,0,0,1.01962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.366944444,0,1.47337963,0,0,0,1.01962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.583333333,0.2,2.366944444,0.2,1.01962963,5.752401111,0.313703704,0.366944444,1.467777778,0.313703704,0.366944444,1.467777778,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.25,0.25,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.39431,1.04929,8.39431,0,0,3.78768,0.47346,3.78768,0,0,0.12632,0.01579,0.21232,0.02654,0.25,8,0,0,0,0,0,0,1,0.918295834,1.418295834,2.355388542,2.188721876,2.084962501,2.355388542,22.03910002,34.03910002,56.52932501,52.52932501,50.03910002,56.52932501,0.200284263,0.309336409,0.51372035,0.477369635,0.45473927,0.51372035,3.666666667,3.166666667,2.229573959,2.396240625,2.5,2.229573959,0.200284263,0.309336409,0.51372035,0.477369635,0.45473927,0.51372035,6.73287657,12.73287657,13.67730206,11.67730206,13.40475992,13.67730206,31.59900002,23.74937501,25.33383542,28.50376042,25.96290834,25.33383542,6.125,2.52,1.8,0,0,0,2.34,1.1272,0.2,3.265986324,2,0,3.301927249,5.656854249,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.107,0.104,0.199,0.218,3.666,10,10,10,12,4,0,0,0,0,62,2.197224577,2.397895273,2.397895273,2.397895273,2.564949357,1.609437912,0,0,0,0,4.143134726,1,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.25,0,3,5,0.666666667,2,0.888888889,0.25,0.302222222,0,0,0,0,0,0,0.25,0.088888889,0.035714286,0.151111111,0,0,0,0,0,0,0.525714286,15.88819442,23.72040607,31.77638883,3.972048604,15.88819491,6.66E-16,8.33E-17,-27.95603288,32.54481954,4.068102443,2.786094562,0,134.567877,4,3.610917913,4.343805422,5.129898715,5.888877958,6.670766321,7.438971592,8.217438538,8.989319566,9.765890765,76.05588679,2.833213344,0,4.043051268,0,5.451038454,0,6.940222469,0,8.463159303,8.712924435,112.1252005,4.671883355,15.53282921,1.941603651,0,0,0,62,7,4.43,36,1.224166127,2.094798552,2.82656971,3.506154152,4.094152582,4.693536152,5.363830398,0,0,0,78.54273178,87.22116534,65.92326671,34.54950735,28.44780847,32.54373606,5.449994969,0,0,0,289.3400736,362.9374319,352.5785436,273.9466147,234.4065243,355.381183,166.7279333,0,0,0,8.917064339,14.96972448,19.93143019,24.2381409,27.90156847,32.53297395,36.03670143,0,0,0,2.17096299,2.916040913,3.130286752,2.798675984,2.589360106,3.761984613,2.384828214,0,0,0,174.752874,319.6818132,449.9652141,594.7476774,726.4189345,788.2944908,991.866923,0,0,0,2.314325495,3.369627379,4.298678651,4.616683582,4.80951116,7.197795718,5.363830398,0,0,0,0.449298446,0.611694975,0.668054201,0.61184664,0.574989934,0.825204218,0.549256233,0,0,0,322.5837079,132.7125234,8.265006903,103.4346146,-42.55350899,-5.576661616,219.1490932,175.2660324,13.84166852,0.757206183,0.311518346,0.01940059,0.242793817,-0.09988657,-0.013090192,137.4265701,56.53796658,3.521044376,44.06504102,-18.12857452,-2.375760027,0.072029729,0.151474141,1.000683555,1.257605575,426.0183225,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,953.5049109,30.87887483,9.842550341,1.426147299,1.244647151,334.3919452,284.8973579,145.3027614,1.173727786,2.301346113,1.960715372,3.668354502,3.898790099,6.288840458,0.613023604,4.463030152,5.745298896,9.55497363,13.96362463,18.00146,11.87690117,11.9841974,5.329056094,8.23265695,0.006095332,1.3124671,0.011608965,1.09E-22,1.96E-64,6.85E-128,4.61E-213,5.981E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375119016,5.572299922,0.568812495,5.08323662,2.082131923,1.369235279,1.049144739,0.286667208,0.231181307,4.38E-04,0.00929553,8.18E-05,7.65E-25,1.38E-66,4.82E-130,3.25E-215,4.2E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,1.209548647,5.583860927,1.965362255,6.223271142,4.529394214,2.926458704,2.249542795,0.816226742,1.0492052,0.001461295,0.09646053,8.52E-04,7.97E-24,1.44E-65,5.03E-129,3.38E-214,4.39E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212771097,5.726305431,8.849997401,13.18201518,16.74309413,11.0257506,10.94978734,4.843587516,7.454404654,0.005702571,1.169420167,0.010343378,9.67E-23,1.75E-64,6.10E-128,4.11E-213,5.329E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,1.782358484,5.598849587,3.054017212,7.205590433,6.447556392,4.169918882,3.379905373,1.328123897,1.852816927,0.002202986,0.209397898,0.001850728,1.73E-23,3.13E-65,1.09E-128,7.35E-214,9.535E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389626864,5.825163655,12.3410037,17.12775655,22.98285151,15.26435937,16.22855277,7.327244896,11.44164018,0.00760223,1.913941231,0.016930584,1.58E-22,2.86E-64,9.99E-128,6.72E-213,8.7227E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,2.967224414,5.111836721,5.150767528,9.761240052,10.2274532,7.121915049,6.467548924,2.848369428,4.142302887,0.004479022,0.523800916,0.004630723,4.33E-23,7.83E-65,2.73E-128,1.84E-213,2.386E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,2.860439142,1.404774445,0.918608677,0.551801161,0.270992016,0.46148101,0.498458458,0.475363433,5.183822264,7.936334017,16.81137563,0.327701741,1.4353029,2.115485183,0.86856724,0.428570359,0.619900094,0.254516041,0.254274819,0.189846748,0.104550325,3.412622782,3.116317546,7.316413131,0.429850141,0.548671892,2.4104981,1.081380827,0.624206799,0.585628741,0.262720677,0.328892773,0.294720739,0.221584426,4.116085725,4.786320995,10.52950563,0.378443111,0.845197939,2.841916266,1.391484983,0.906571107,0.552904971,0.270718379,0.455572044,0.489028588,0.46323125,5.139972355,7.79236306,16.51735618,0.329357456,1.407831881,2.542383791,1.1763066,0.710957722,0.573947123,0.265553057,0.365397038,0.348964935,0.286895314,4.429648113,5.634454483,12.19030899,0.360920685,1.001257286,2.918451816,1.446384515,0.95626829,0.548467287,0.271820349,0.480239001,0.528571186,0.514256639,5.321104621,8.395158088,17.75286578,0.322700931,1.523066825,2.857087733,1.392467197,0.909098066,0.553843752,0.269928448,0.460330435,0.489744147,0.465362539,5.158652995,7.841663113,16.61707271,0.330765629,1.415437121 +UMLYSI0154,L,"2,2,4,4-tetramethyl-3-pentanone",CC(C)(C)C(=O)C(C)(C)C,saturated alkanone,C9H18O,815-24-7,13152,PubChem,,65.8,0,2.8486,8.11452196,43.5996,28.644274,0,0,28,10,18,0,9,0,1,0,0,0,0,0,0,0,1572.634242,1564.204541,2495.978287,2672.351412,1861.457985,653.782752,82.301184,0,0,4587.550292,5756.123811,8735.945221,10553.25571,9031.678761,6195.777284,2517.783299,0,0,202.148712,198.475388,367.144204,489.798528,729.2601,384.352128,544.195584,0,0,33.74633629,43.69433758,66.98120987,84.90083274,78.77881819,60.13139274,36.01364529,0,0,4655.118227,3923.904036,8039.736881,9949.443684,17216.22525,8268.617576,14978.32981,0,0,96.90277778,66.83333333,103.5625,201,238.5,108,81,0,0,56.16550864,57.93350152,48.94075073,40.49017291,18.80260591,12.107088,1.016064,0,0,163.8410819,213.1897708,171.2930436,159.8978137,91.22907839,114.7366164,31.08374443,0,0,7.219596857,7.350940296,7.198905961,7.421189818,7.366263636,7.117632,6.718464,0,0,1.205226296,1.618308799,1.313357056,1.286376254,0.795745638,1.11354431,0.444612905,0,0,166.2542224,145.3297791,157.6418996,150.7491467,173.9012652,153.1225477,184.917652,0,0,3.460813492,2.475308642,2.030637255,3.045454545,2.409090909,2,1,0,0,0.137557877,-0.066357182,-0.021388662,0.10431026,-0.063026467,-0.068955191,0.046638304,0,0,850.0347219,-48.03777086,566.3011804,-781.7582461,19.40920765,-1524.054755,1343.123023,0,0,1367.240348,-97.12506318,905.0095044,-1921.780579,1022.975406,-2740.222453,2147.523011,0,0,1.127262857,-0.004431755,0.220193224,0.10156898,-1.185812816,-0.314293224,0.619144163,0,0,6.076807391,-0.456866205,3.625749872,-9.983684206,7.04576688,-11.94589363,8.676523592,0,0,33.4170586,-2.519512673,19.00296035,-56.57857864,42.07931912,-64.35802967,45.66531222,0,0,36.37797619,-4.184417517,5.765412415,6.245960884,-30.47480867,-13.45216837,17.91103316,0,0,0.004912781,-0.002457673,-4.19E-04,0.001580458,-6.37E-04,-0.001276948,5.76E-04,0,0,30.35838292,-1.779176699,11.10394471,-11.84482191,0.196052603,-28.22323621,16.58176572,0,0,48.83001241,-3.597224562,17.7452844,-29.11788756,10.33308491,-50.74486025,26.51262977,0,0,0.040259388,-1.64E-04,0.004317514,0.001538924,-0.011977907,-0.005820245,0.007643755,0,0,0.217028835,-0.016920971,0.071093135,-0.151267943,0.071169362,-0.221220252,0.107117575,0,0,1.193466379,-0.093315284,0.372607066,-0.857251192,0.425043627,-1.191815364,0.563769287,0,0,1.299213435,-0.154978427,0.113047302,0.094635771,-0.30782635,-0.249114229,0.221123866,0,0,-0.500261106,-0.085366211,0.321703405,-0.129586672,-0.259923635,0.117200724,0,0,-0.05860578,0.365762061,-0.390166431,0.00645794,-0.929668628,0.546200559,0,0,-0.073668311,0.363409377,-0.596311287,0.211613399,-1.039214568,0.54295767,0,0,-0.004077039,0.107242421,0.038225219,-0.297518365,-0.144568639,0.189862676,0,0,-0.077966462,0.327574604,-0.696994675,0.327925837,-1.019312719,0.493563793,0,0,-0.078188448,0.31220575,-0.718286838,0.356142104,-0.998616623,0.472379697,0,0,-0.119286348,0.08701211,0.072840819,-0.236932856,-0.191742344,0.17019826,0,0,1.326491063,0.837649912,1.283422721,1.850145685,0.585079138,0,0,0,1.291178025,0.688517482,1.596108708,0.998514765,1.922734542,0,0,0,1.494522204,0.797887106,1.849647383,0.553970312,2.222886479,0,0,0,0.555040021,0.48744683,1.129990378,2.507450987,0.284020713,0,0,0,1.552547244,0.854755944,1.981479689,0.41389917,2.235833222,0,0,0,1.555544051,0.867557599,2.011156253,0.401583199,2.20855229,0,0,0,0.689519758,0.494198498,1.109796732,2.433259206,0.371103657,0,0,0,43.38258141,21.8162907,31.3988664,43.58258141,4.358258141,21.81629071,0.25,2.22E-16,2.22E-17,-36.04365339,3000018.164,300001.8164,14.9141289,43.38433659,21.81680109,31.39937678,43.58374906,4.358374906,21.81680109,0.249265579,5.55E-17,5.55E-18,-37.42994775,3000018.164,300001.8164,14.9141289,44.96770791,22.28435672,31.86693241,44.64851233,4.464851233,22.28435672,-0.398994478,2.78E-16,2.78E-17,-35.82050984,3000018.164,300001.8164,14.9141289,43.38617877,21.81733678,31.39991248,43.58497461,4.358497461,21.81733679,0.2484948,6.66E-16,6.66E-17,-34.9450411,3000018.164,300001.8164,14.9141289,46.70139108,22.80954841,32.3921241,45.83555567,4.583555567,22.80954841,-1.082294264,5.55E-17,5.55E-18,-37.42994775,3000018.164,300001.8164,14.9141289,43.56678419,21.86995919,31.45253488,43.70529153,4.370529153,21.86995919,0.173134186,1.11E-16,1.11E-17,-36.73680057,3000018.164,300001.8164,14.9141289,60.30419821,30.13864291,44.55604353,60.54578551,6.054578551,30.13864291,0.402645503,2.78E-16,2.78E-17,-35.82050984,3000017.732,300001.7732,14.91412876,0,11.89,15.99491689,-0.298024705,0.143309071,5.372744483,9.379503656,9,27,26,26,8,1,1,0,0,1,20.635726,3.719876152,3.266371875,2.565815452,2.333552793,2.333552793,2.333552793,2.333552793,0.801021882,1.942843798,1.739868226,1.249629723,1.249629723,1.249629723,1.249629723,0.727917644,0.083923071,3.692520314,3.297227287,2.405454588,2.405454588,2.405454588,2.405454588,2.388495328,0.665449763,1.917358989,1.669665875,1.134540686,1.134540686,1.134540686,1.134540686,0.84339341,0.270913902,3.794688851,3.43566814,2.704236987,2.704236987,2.704236987,2.704236987,2.694313729,1.080060517,1.775526958,1.4637126,0.76031856,0.76031856,0.76031856,0.76031856,0.518954929,0.943918427,3.693274481,3.32012911,2.457539916,2.457539916,2.457539916,2.457539916,2.346925168,0.704087041,1.903698968,1.624938906,1.058262671,1.058262671,1.058262671,1.058262671,0.893447341,0.399277246,3.821442115,3.504244805,2.838982085,2.838982085,2.838982085,2.838982085,2.704432855,1.207644823,1.746978939,1.40023621,0.631337262,0.631337262,0.631337262,0.631337262,0.497567659,1.103636228,4.652950625,3.403451483,3.332220349,2.589326043,2.589326043,2.589326043,2.589326043,1.35306475,1.864568696,1.592922434,0.91922295,0.91922295,0.91922295,0.91922295,0.354176512,0.556701031,0,0,0,1,0,6,0,0,2,0,0,0,0,0,0,0,0,0,0,2.876388375,0.577350269,0.866025404,0.288675135,2.551031036,0.5,0.306186218,0.102062073,3.464101615,4.763139721,4.763139721,1.668558654,3.163403472,2.793558654,8.577350269,4.154700538,5.453738644,2.598076211,1.299038106,0,0,0,0.857735027,0.461633393,0.363582576,0.216506351,0.144337567,0,0,0,7.90824829,3.704124145,4.829124145,1.362372436,1.125,0,0,0,0.790824829,0.411569349,0.32194161,0.113531036,0.125,0,0,0,14.59124934,27.32119446,25.87843137,26.24,16.66722994,215.4088168,0.521116048,0.975756945,0.924229692,0.937142857,0.595258212,7.693172027,2.6477,43.917,22.84770066,32.43027636,45.69540133,4.569540133,22.84770066,0,0,0,3000018.164,300001.8164,14.9141289,57,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,1,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.48611111,0.319444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.835416667,0,0,0,0,0,0,0,0,0,0,0,11.75347222,0,0,0,0,0,0,0,0,0.319444444,0,0,-0.392361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.48611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.48611111,0.319444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305902778,0,0,0,0,0,0,0,0,0,0,0,1.958912037,0,0,0,0,0,0,0,0,0.319444444,0,0,-0.196180556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.48611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.48611111,0.319444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305902778,0,0,0,0,0,0,0,0,0,0,0,1.958912037,0,0,0,0,0,0,0,0,0.319444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.48611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.16666667,2.316666667,0.305902778,11.48611111,0.201388889,-0.196180556,4.936329861,1.446180556,4.486111111,8.972222222,1.446180556,4.486111111,8.972222222,4.83333,0.48333,0,0.01667,0.47024,0.77667,0.425,0.47024,0.77667,0.04524,0,-0.04524,0,0.62232,0.09197,0,0.68965,0.10345,0.2069,6.25,0.625,4.75,0.475,1.5,0.15,-3.25,-0.325,0,0,12.05718,1.20572,14.76174,2.70456,0.27046,3.54321,0.35432,4.15469,0.61148,0.06115,0.75931,0.07593,0.75931,0.07593,0,9.01,1,1,1,1,0,0,0.888888889,1.107784385,1.501339742,1.501339742,1.501339742,1.329648495,0.886003325,31.01796278,42.03751279,42.03751279,42.03751279,37.23015787,24.8080931,0.230435323,0.312300582,0.312300582,0.312300582,0.276586297,0.184301625,3.699570537,3.30601518,3.30601518,3.30601518,3.477706427,3.921351597,0.230435323,0.312300582,0.312300582,0.312300582,0.276586297,0.184301625,9.474970853,14.19763514,14.19763514,14.19763514,12.13734018,6.12770626,37.17060982,30.18726944,30.18726944,30.18726944,29.15712196,24.5201449,10,2.56,3.111111111,10,1,5,2.34,1.3924,4.948154665,0,3,6.92820323,0,0,0,0,2,0.5,0,0,0,0,0,0,0,0,0,0.003,0.521,0.497,0.44,0.137,4.061,15,12,9,0,0,0,0,0,0,55,2.397895273,2.890371758,2.944438979,2.302585093,0,0,0,0,0,0,4.17438727,1.163636364,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.222222222,8,0.888888889,0,2,4,1,5.5,2,1.125,0,0,0,0,0,0,0,0.611111111,0.133333333,0.09375,0,0,0,0,0,0,0,0.838194444,22.84770066,32.43027636,45.69540133,4.569540133,22.84770066,0,0,0,3000018.164,300001.8164,14.9141289,17.07,170.3740883,4.321928095,3.891820298,4.634728988,5.556828062,6.326149473,7.247792582,8.02059915,8.942591637,9.715892113,10.63799258,83.97439489,2.944438979,0,4.369447852,0,5.937536205,0,7.563719668,0,9.220191688,9.434203664,142.1357652,5.076277328,17.87489261,1.787489261,2.410683603,2.410683603,0,111,12,1.679,48,1.236962963,2.132348238,3.00128099,3.493912661,4.216143938,4.492193896,0,0,0,0,82.53193165,119.2547705,127.8007693,71.66105219,51.04522568,4.564356499,0,0,0,0,289.3556322,404.0096095,491.2900515,336.8952174,483.7460896,139.634207,0,0,0,0,9.125114217,15.45968017,22.32612417,25.80047862,30.00896101,30.18064297,0,0,0,0,2.141797697,3.026204178,3.911399565,2.892742123,4.694863092,1.997287377,0,0,0,0,177.5632613,330.3574578,451.6980945,604.3278159,645.5867013,830.6859477,0,0,0,0,3.08495679,4.630770058,9.329387653,8.581499477,8.432287876,4.492193896,0,0,0,0,0.452805556,0.649842537,0.886294809,0.67923876,1.011874545,0.460000655,0,0,0,0,344.4415678,212.6210384,8.306716216,126.3239724,-77.97878274,-16.40521661,218.1175954,290.5998211,24.71193283,0.731662661,0.451649537,0.017645124,0.268337339,-0.165642504,-0.034847956,162.1512207,100.094658,3.910515747,59.4689731,-36.70972378,-7.72301066,0.23201884,0.482744742,0.131340233,19.09600281,431.2083972,39.557143,0.91597273,0.08402727,630.5403057,25.11056164,8.575068888,804.9069552,28.37088217,9.30211905,1300.174567,36.05793348,10.91441732,1.355712503,1.355712503,504.4748048,453.5035388,267.4960716,1.112394417,1.885914817,1.69536523,4.174051541,3.225612586,6.375709831,0.976588838,5.201846337,7.675316245,6.170831708,24.46826427,8.742534073,15.29293855,17.1214231,13.18498147,3.323125734,8.222148267,1.470145592,0.399190157,1.78E-17,1.64E-55,3.07E-115,1.15E-196,8.51E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,0.440100451,7.6749822,0.438118447,13.83750473,3.726100422,3.397840207,0.800576472,2.176668694,0.511884072,0.240944686,0.010354359,0.002811529,1.26E-19,1.16E-57,2.16E-117,8.10E-199,6.00E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,1.381851938,7.674887961,1.192766026,15.36680721,4.599228833,3.983484971,2.462403529,3.671660184,1.076449162,1.073712565,0.107900378,0.029298299,1.31E-18,1.21E-56,2.26E-116,8.44E-198,6.25E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,4.906313827,7.675338353,6.309212046,23.95817554,8.382219122,15.41167388,15.86925216,12.26439289,3.147744375,7.451816818,1.309873257,0.355671243,1.59E-17,1.46E-55,2.74E-115,1.03E-196,7.58E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,2.037652109,7.674876649,1.672849257,16.62577908,5.243353687,4.841192347,4.013332989,4.916307745,1.466757634,1.881839135,0.234374031,0.06363982,2.85E-18,2.62E-56,4.90E-116,1.83E-197,1.36E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,6.324239346,7.675540007,8.34526467,27.49711417,10.1377787,20.05552056,23.7653171,16.9723251,3.976207209,11.39421974,2.144069167,0.582181328,2.60E-17,2.40E-55,4.48E-115,1.68E-196,1.24E-299,0,0,0,0,0,0,0,0,0,0,0,0,0,3.211665071,5.690957851,5.73245893,21.90326818,5.575478559,16.71280153,7.595472048,6.644419679,2.199894944,3.286021886,0.455621712,0.123715432,5.53E-18,5.09E-56,9.53E-116,3.57E-197,2.64E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,3.464901713,1.425708659,1.365387406,0.553852772,0.227894688,0.570764645,0.537681544,0.451481231,6.255997778,11.61751818,24.61844833,0.330779159,1.559927421,2.428975418,1.198001506,0.761644658,0.553471146,0.272978994,0.280494817,0.345456964,0.152977512,4.388621582,5.672383806,12.27732752,0.33020672,0.778929293,2.926200323,1.133854084,1.050099957,0.572624644,0.22188255,0.407083465,0.30987526,0.29139435,5.110154364,7.581347144,16.17561155,0.358936966,1.008353075,3.39805797,1.401212238,1.388955513,0.549116681,0.226431986,0.548955275,0.540635148,0.570560805,6.188225721,11.42737323,24.2289723,0.323675022,1.660151227,3.135524725,1.1796454,1.141719836,0.574599222,0.216175406,0.467407343,0.369366345,0.31723323,5.456889962,8.625522648,18.3054143,0.361898833,1.154006919,3.521076153,1.468793608,1.408742787,0.550287445,0.229548765,0.589421671,0.570805655,0.48077656,6.398612548,12.20117718,25.8854329,0.325431168,1.641003885,3.399853312,1.406441952,1.391420264,0.548565564,0.226929091,0.549535525,0.519102169,0.551819599,6.197715528,11.46927295,24.32033765,0.322848345,1.620457294 +UMLYSI0155,L,n-undecane,CCCCCCCCCCC,linear alkanes,C11H24,1120-21-4,14257,PubChem,,64.7,0,-2.4894,6.19711236,38.0018,35.363032,0,0,35,11,24,0,11,0,0,0,0,0,0,0,0,0,1611.290867,1733.211322,1822.115745,1658.889128,1462.132399,1265.37567,1068.618941,871.862212,675.105483,5404.695786,6988.84781,9096.84617,9115.811391,8109.013046,7102.214701,6095.416356,5088.618011,4081.819666,244.188812,246.228328,467.582148,626.40656,563.52166,500.63676,437.75186,374.86696,311.98206,41.34860972,54.61406344,78.53815459,84.18885159,75.16732273,66.14579387,57.12426502,48.10273616,39.0812073,5832.761566,4942.884706,10346.06099,14969.38835,13490.4332,12011.47804,10532.52289,9053.567731,7574.612576,52.25,63,101.75,122.5,110.25,98,85.75,73.5,61.25,46.03688191,50.97680359,27.60781432,18.43210142,18.05101727,17.57466208,16.96220541,16.14559652,15.00234407,154.4198796,205.5543474,137.8310026,101.2867932,100.1112722,98.64187085,96.75264057,94.23366687,90.70710369,6.9768232,7.242009647,7.084578,6.960072889,6.957057531,6.953288333,6.948442222,6.941980741,6.932934667,1.181388849,1.606295984,1.189972039,0.935431684,0.927991639,0.918691582,0.906734365,0.89079141,0.868471273,166.6503304,145.3789619,156.7584998,166.3265372,166.548558,166.8260839,167.1829029,167.6586617,168.3247239,1.492857143,1.852941176,1.541666667,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,0.049890856,-0.004413885,-0.023217126,-9.91E-05,-2.82E-06,-2.09E-08,9.63E-08,1.51E-06,1.32E-05,913.1836107,-56.92573158,-404.1133966,-9.88293951,-10.27825709,-10.67357467,-11.06889225,-11.46420983,-11.85952741,1698.103919,-105.8558287,-751.4661172,-18.37774804,-19.11285796,-19.84796788,-20.5830778,-21.31818772,-22.05329764,0.1788864,-0.01115136,-0.07916304,-0.001936,-0.00201344,-0.00209088,-0.00216832,-0.00224576,-0.0023232,7.591314606,-0.473224807,-3.359403184,-0.082157084,-0.085443368,-0.088729651,-0.092015935,-0.095302218,-0.098588501,41.23614142,-2.57056466,-18.24833141,-0.446278587,-0.46412973,-0.481980874,-0.499832017,-0.517683161,-0.535534304,3.042857143,-0.655918367,-1.102244898,0.032653061,0.029387755,0.026122449,0.022857143,0.019591837,0.016326531,0.001425453,-1.30E-04,-3.52E-04,-1.10E-06,-3.48E-08,-2.90E-10,1.53E-09,2.80E-08,2.94E-07,26.09096031,-1.674286223,-6.122930251,-0.109810439,-0.126892063,-0.148244093,-0.175696702,-0.212300182,-0.263545054,48.51725481,-3.113406726,-11.38585026,-0.2041972,-0.235961209,-0.275666221,-0.326715521,-0.394781254,-0.490073281,0.00511104,-3.28E-04,-0.00119944,-2.15E-05,-2.49E-05,-2.90E-05,-3.44E-05,-4.16E-05,-5.16E-05,0.216894703,-0.013918377,-0.050900048,-9.13E-04,-0.001054856,-0.001232356,-0.00146057,-0.001764856,-0.002190856,1.178175469,-0.075604843,-0.27648987,-0.004958651,-0.005729997,-0.006694179,-0.007933842,-0.009586725,-0.011900762,0.086938776,-0.019291717,-0.01670068,3.63E-04,3.63E-04,3.63E-04,3.63E-04,3.63E-04,3.63E-04,-0.091072896,-0.246780939,-7.73E-04,-2.44E-05,-2.03E-07,1.07E-06,1.96E-05,2.06E-04,-0.064171123,-0.234676309,-0.004208754,-0.004863449,-0.005681818,-0.006734007,-0.008136925,-0.01010101,-0.064171123,-0.234676309,-0.004208754,-0.004863449,-0.005681818,-0.006734007,-0.008136925,-0.01010101,-0.064171123,-0.234676309,-0.004208754,-0.004863449,-0.005681818,-0.006734007,-0.008136925,-0.01010101,-0.064171123,-0.234676309,-0.004208754,-0.004863449,-0.005681818,-0.006734007,-0.008136925,-0.01010101,-0.064171123,-0.234676309,-0.004208754,-0.004863449,-0.005681818,-0.006734007,-0.008136925,-0.01010101,-0.221900028,-0.192097027,0.004173187,0.004173187,0.004173187,0.004173187,0.004173187,0.004173187,1.618174224,1.411365182,0.931504846,0.928679708,0.926006849,0.922599811,0.918040739,0.911501667,1.590909091,1.43422865,0.951599327,0.946034418,0.939078283,0.93013468,0.918209877,0.901515152,1.590909091,1.43422865,0.951599327,0.946034418,0.939078283,0.93013468,0.918209877,0.901515152,1.590909091,1.43422865,0.951599327,0.946034418,0.939078283,0.93013468,0.918209877,0.901515152,1.590909091,1.43422865,0.951599327,0.946034418,0.939078283,0.93013468,0.918209877,0.901515152,1.590909091,1.43422865,0.951599327,0.946034418,0.939078283,0.93013468,0.918209877,0.901515152,1.807511737,1.18509034,0.806990089,0.827682142,0.853547209,0.886802295,0.93114241,0.993218571,83.27678045,41.63839023,66.32546527,83.27678045,7.570616405,41.63839023,0,5.55E-17,5.05E-18,-41.17294253,2000029.956,181820.9051,15.95953999,83.27678045,41.63839023,66.32546527,83.27678045,7.570616405,41.63839023,0,5.55E-17,5.05E-18,-41.17294253,2000029.956,181820.9051,15.95953999,83.27678045,41.63839023,66.32546527,83.27678045,7.570616405,41.63839023,0,5.55E-17,5.05E-18,-41.17294253,2000029.956,181820.9051,15.95953999,83.27678045,41.63839023,66.32546527,83.27678045,7.570616405,41.63839023,0,5.55E-17,5.05E-18,-41.17294253,2000029.956,181820.9051,15.95953999,83.27678045,41.63839023,66.32546527,83.27678045,7.570616405,41.63839023,0,5.55E-17,5.05E-18,-41.17294253,2000029.956,181820.9051,15.95953999,83.27678045,41.63839023,66.32546527,83.27678045,7.570616405,41.63839023,0,5.55E-17,5.05E-18,-41.17294253,2000029.956,181820.9051,15.95953999,91.34176648,45.60270142,73.14465899,91.23019623,8.293654203,45.60270142,-0.136363636,3.89E-16,3.53E-17,-39.03244136,2000029.683,181820.8803,15.95953984,0,11.89,12.11017617,-0.170505172,0.049887945,5.114887429,7.484885087,10,34,34,34,10,0,0,0,0,0,26.236968,3.521812292,3.371723967,3.134916014,2.830975742,2.486296728,2.132339609,1.801869306,1.522445731,1.938023015,1.836951549,1.677628261,1.475738567,1.254363309,1.040066353,0.855100536,0.710724983,3.550414912,3.403743108,3.172620231,2.876653656,2.5422882,2.200948401,1.884916904,1.620397766,1.878062249,1.770311168,1.601068533,1.387020453,1.151963396,0.923318777,0.72475258,0.569024034,3.675187702,3.543576632,3.337118155,3.074986979,2.783193021,2.492141128,2.231035536,2.020007199,1.699906814,1.571273499,1.369597118,1.113857568,0.829863643,0.54769664,0.295859212,0.093378249,3.571432156,3.427285741,3.20034697,2.910212397,2.583328716,2.251041483,1.945209541,1.691004135,1.839730604,1.727603127,1.551735787,1.329413248,1.084902314,0.846198425,0.63793571,0.473977822,3.735384887,3.611002781,3.416090676,3.169288201,2.896065841,2.626002035,2.386586888,2.195360083,1.643724557,1.508311984,1.295699151,1.025256287,0.723200071,0.420302284,0.146638755,0.076183921,3.579431219,3.470829905,3.277713606,3.008030128,2.689032257,2.359512561,2.058748821,1.814361101,1.811077785,1.670150559,1.459266147,1.208340936,0.947698283,0.701610121,0.487230072,0.315204682,0,0,0,0,0,2,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.363961031,5.414213562,3.474873734,2.207106781,1.383883476,0.853553391,0.515165043,0.301776695,0.760360094,0.541421356,0.386097082,0.275888348,0.197697639,0.142258898,0.103033009,0.075444174,8.363961031,5.414213562,3.474873734,2.207106781,1.383883476,0.853553391,0.515165043,0.301776695,0.760360094,0.541421356,0.386097082,0.275888348,0.197697639,0.142258898,0.103033009,0.075444174,17.50193365,33.65404224,31.70588235,32.12,20.58265389,269.5963665,0.500055247,0.961544064,0.905882353,0.917714286,0.588075825,7.702753328,4.5371,52.901,41.63839023,66.32546527,83.27678045,7.570616405,41.63839023,5.55E-17,5.05E-18,-41.17294253,2000029.956,181820.9051,15.95953999,150,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,0,0,0,0,0,0,0,0,0,0,0,2,0,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.2,0,0,0,0,0,0,0,0,0,0,0,4.549767731,0,12.95023227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.274883866,0,1.37,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.274883866,0,1.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.5,1.590909091,0.2,2.274883866,0.2,1.37,8.207511613,0.13,0.274883866,1.099535462,0.13,0.274883866,1.099535462,5.5,0.5,0,0,0.42571,0.7,0.42571,0.42571,0.7,0,0,0,0,0.71429,0,0,0.18182,0,0,5,0.45455,5,0.45455,0,0,-5,-0.45455,0,0,12.33112,1.12101,12.33112,0,0,5.41421,0.4922,5.41421,0,0,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,10,0,0,0,0,0,0,1,0.898058793,1.113042302,1.865857032,2.317214892,2.366333748,2.191776048,31.43205777,38.95648056,65.30499611,81.10252121,82.82168119,76.71216168,0.175084664,0.216997638,0.363765662,0.451761949,0.461338113,0.427306515,4.231224223,4.016240715,3.263425985,2.812068125,2.762949269,2.937506969,0.176523902,0.218781412,0.366755904,0.455475541,0.465130424,0.430819077,6.673894308,9.253696408,12.17247128,13.26862692,13.11241251,11.7633608,43.5954495,38.99655444,36.66514229,34.89654782,35.7602527,38.52243264,11,10,10,11,0,11,2.67,1.6585,0.1,4.340313074,0,0,13.18512474,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,5.263,9,8,7,6,5,4,3,2,1,66,2.397895273,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,4.204692619,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0.8,10,1,1,5,10,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0,0.05,0.024691358,0.015625,0.011428571,0.009259259,0.008163265,0.0078125,0.008230453,0.01,0,0.145210407,41.63839023,66.32546527,83.27678045,7.570616405,41.63839023,5.55E-17,5.05E-18,-41.17294253,2000029.956,181820.9051,15.95953999,0,198.8122896,4.459431619,3.663561646,4.290459441,4.934473933,5.579729826,6.232448017,6.884486652,7.540621529,8.195609567,8.853236765,77.17462738,3.044522438,0,4.043051268,0,5.176149733,0,6.371611847,0,7.601402335,7.954372273,156.1878008,4.462508593,20.82876223,1.893523839,0,0,0,220,8,6.599,38,1.233588235,2.129918578,2.855907343,3.59499995,4.931473986,5.945839409,7.264323059,8.364451519,9.660835715,10.78738181,74.13373816,66.01408427,64.63198011,84.5848078,103.7632326,120.6756498,134.6318462,143.2489336,142.8362625,124.0749803,279.8531444,314.4586659,319.9702225,426.4258459,538.0976348,642.0367279,739.7080428,820.0497711,874.4984501,871.5988236,8.969654255,15.13809722,19.93261642,25.20286411,34.4184025,41.5065522,50.57649341,58.1719548,66.99072768,74.5498127,2.124115959,2.66293339,2.848106726,3.773499908,4.854336669,5.829690742,6.824823701,7.670940082,8.391880312,8.719034628,177.0966923,330.3760375,471.2476287,584.3059405,813.2939518,979.6154779,1206.970588,1394.242899,1624.989218,1832.870259,2.351735294,3.364319489,3.98896216,5.199006995,6.930599287,8.412797839,10.14837315,11.71172496,13.43347353,15.13354299,0.440522206,0.563572742,0.609573012,0.806042505,1.040929494,1.251137358,1.469027998,1.654778456,1.818137138,1.901368994,541.0610566,330.9526801,13.52004402,178.6283403,-109.2622122,-10.64305479,362.4327163,440.2148923,24.16309881,0.75179801,0.459854878,0.018785943,0.24820199,-0.151818566,-0.0147884,389.3959055,238.1831348,9.730232324,128.5569225,-78.63485559,-7.659693685,0.043158194,0.106537033,0.655911633,7.076141967,719.6893969,0,1,0,620.8156915,24.91617329,8.530756816,853.3045574,29.21137719,9.484942193,999.4577212,31.61420126,9.998192077,3.395219386,3.395219386,2536.360189,2503.515097,69.54988714,1.01311959,36.4682143,35.99596203,5.535275894,6.901696073,13.74176127,0.991070184,6.693613282,9.485253205,3.595412048,40.81892795,17.39137189,0.143577017,6.744498654,9.169400589,25.9503782,1.302197379,2.190740723,25.75788861,4.781456076,22.92184048,2.706684276,0.754782841,7.277871709,4.699797708,12.29822116,4.287084255,1.740846318,0.233327501,4.92083639,0.657097957,2.828408649,0.485123803,0.002541069,2.15E-25,3.51E-69,1.10E-134,0.56174858,9.484752684,0.251597128,9.162609346,0.126158244,0.001256832,1.013205733,0.338919754,7.401248865,0.046241503,0.019900876,1.590720098,0.152009643,5.445437402,0.114385455,0.064502029,0.294598332,0.087008352,2.971235604,0.186279768,0.153139669,0.02050829,0.068384616,0.65668218,0.23091752,0.003416768,1.79E-05,1.51E-27,2.47E-71,7.78E-137,1.813392892,9.484787075,0.845225458,11.42123404,1.285855673,0.010967165,2.182970074,1.377811855,9.818835492,0.190813972,0.168317632,5.436051553,0.654953355,8.276670868,0.44355611,0.194208777,1.14746703,0.483436812,4.590320687,0.715661521,0.470165386,0.063797015,0.447812118,0.656712307,0.749680796,0.035605346,1.87E-04,1.58E-26,2.57E-70,8.10E-136,6.318224919,9.485198587,3.359250707,37.39403156,15.49792584,0.128022337,6.39359242,8.358669451,24.33061798,1.185759328,1.953589095,23.89359863,4.34167088,21.59154937,2.477241847,0.708564178,6.647805735,4.224553509,11.62649413,3.927188998,1.641150794,0.220245013,4.407599503,0.657053137,2.665344996,0.432236576,0.002264046,1.92E-25,3.13E-69,9.84E-135,2.672607474,9.484830807,1.279133574,14.21969792,2.784020823,0.023375525,2.986010688,2.317706557,11.88482416,0.32325266,0.357702999,8.398712543,1.131454819,10.43877919,0.728897509,0.286572208,1.902941434,0.917435929,5.786320457,1.170422021,0.689889582,0.093558563,0.889713968,0.656749243,1.109192306,0.077339566,4.05E-04,3.43E-26,5.59E-70,1.76E-135,8.083507427,9.485482657,4.505526427,55.18806288,25.35171291,0.208937504,8.043792578,12.47789157,32.4973892,1.778220372,3.187179466,33.09741911,6.587333418,28.14297235,3.636530535,0.930406216,9.840708385,6.678382646,14.89970175,5.743201935,2.112809426,0.281827204,7.066570078,0.657285891,3.436755146,0.70750747,0.00370591,3.13E-25,5.12E-69,1.61E-134,4.297572936,8.994065668,2.053458512,21.3112913,6.881199643,0.057112541,4.322663171,4.327791793,16.19770502,0.609756134,0.872282967,14.40828941,2.193233008,14.95408249,1.314356288,0.434728726,3.689042476,1.995419975,8.790007008,2.094913404,1.028634143,0.184362814,2.061778296,1.03799231,2.201865924,0.191673412,0.001003981,8.49E-26,1.39E-69,4.36E-135,17.44733597,0.79395896,0.52028298,0.929950351,0.042318347,0.558249813,0.631822062,0.628556885,18.76157791,23.343104,49.31188561,0.894925527,1.818628759,15.91109403,0.32797232,0.117428387,0.972769183,0.020051504,0.464269788,0.10781348,0.032019279,16.35649474,7.125325808,24.09460866,0.959153775,0.604102546,16.53818421,0.518186918,0.281872639,0.95385579,0.029886932,0.501586672,0.26913586,0.184489304,17.33824376,13.37759505,33.13145088,0.930783685,0.955211836,17.41096737,0.782927312,0.510745904,0.930836778,0.041857383,0.555924919,0.614386359,0.605724491,18.70464059,22.92397906,48.59086361,0.896255167,1.77603577,16.81036988,0.60074871,0.353248928,0.946297123,0.033817624,0.518232776,0.36172987,0.289752409,17.76436752,16.249267,37.58102763,0.919445685,1.169715055,17.56067622,0.828338338,0.550004627,0.927222051,0.04373713,0.565526303,0.687724035,0.702421887,18.93901918,24.66022443,51.59971066,0.890833077,1.955672225,17.47121568,0.78477564,0.512441447,0.930883036,0.041813595,0.559778982,0.61729066,0.609752861,18.76843276,23.06611107,48.86062055,0.896324554,1.786822504 +UMLYSI0156,L,2-methyl-2-heptene,CCCCC=C(C)C,alkenes,C8H16,627-97-4,12330,PubChem,,64.5,0,1.2871,1.65662641,36.2764,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1300.504639,1076.576093,846.631972,646.827051,461.161346,157.477824,18.289152,3885.475125,4800.404174,5976.565422,5827.549678,4828.061034,3728.011456,2804.865983,1749.84433,559.5073998,167.819552,166.665724,297.110716,344.4917,353.913232,270.87294,208.387208,166.033152,120.932352,29.42500648,37.33900896,50.46917399,52.23754716,45.43103463,35.07566706,26.7230696,18.69788658,8.003032287,3973.037281,3337.521256,6628.390914,7880.085549,8562.404983,6528.696872,5017.946613,4056.482397,3328.517736,41.52777778,49.5,72.41666667,81.83333333,73.83333333,57.66666667,45,36,18,48.76541633,52.3287937,30.96439617,21.97094067,16.6006269,16.585309,15.37204487,6.561576,1.016064,161.8947969,208.713225,142.2991767,118.9295853,94.66786341,95.59003733,93.49553276,72.9101804,31.08374443,6.992481333,7.246335826,7.074064667,7.030442857,6.939475137,6.94546,6.946240267,6.918048,6.718464,1.226041937,1.623435172,1.201647,1.066072391,0.890804601,0.899376078,0.890768987,0.779078607,0.444612905,165.54322,145.1096198,157.8188313,160.8180724,167.8902938,167.4024839,167.2648871,169.0200999,184.917652,1.730324074,2.152173913,1.724206349,1.670068027,1.447712418,1.478632479,1.5,1.5,1,0.042597834,5.34E-04,-0.012571057,-0.02354656,0.01113114,7.34E-04,-7.59E-04,-0.008166093,0.011343702,645.6853813,-53.80711511,-80.71067267,-269.0355756,40.35533633,-2.74E-13,-40.35533633,-161.4213453,242.132018,1200.679538,-100.0566282,-150.0849423,-500.283141,75.04247115,1.42E-13,-75.04247115,-300.1698846,450.2548269,0.126485333,-0.010540444,-0.015810667,-0.052702222,0.007905333,-7.38E-16,-0.007905333,-0.031621333,0.047432,5.367596186,-0.447299682,-0.670949523,-2.236498411,0.335474762,-2.69E-15,-0.335474762,-1.341899046,2.01284857,29.15686767,-2.429738973,-3.644608459,-12.14869486,1.822304229,2.73E-14,-1.822304229,-7.289216918,10.93382538,3.609953704,-0.891251929,0.718460648,-2.268470293,0.433015046,-0.126591435,0.640335648,-1.498842593,1.188368056,0.00177491,2.32E-05,-2.99E-04,-4.81E-04,2.18E-04,1.88E-05,-2.53E-05,-3.40E-04,6.30E-04,26.90355756,-2.339439787,-1.921682683,-5.49052195,0.791281105,-7.01E-15,-1.345177878,-6.725889389,13.45177878,50.0283141,-4.350288182,-3.573451007,-10.20986002,1.471421003,3.64E-15,-2.501415705,-12.50707852,25.01415705,0.005270222,-4.58E-04,-3.76E-04,-0.001075556,1.55E-04,-1.89E-17,-2.64E-04,-0.001317556,0.002635111,0.223649841,-0.019447812,-0.015974989,-0.045642825,0.006577937,-6.90E-17,-0.011182492,-0.05591246,0.111824921,1.214869486,-0.105640825,-0.086776392,-0.247932548,0.035731455,7.00E-16,-0.060743474,-0.303717372,0.607434743,0.150414738,-0.038750084,0.017106206,-0.046295312,0.008490491,-0.003245934,0.021344522,-0.062451775,0.066020448,0.013090252,-0.168634425,-0.270741673,0.122968313,0.010606145,-0.014246842,-0.191702068,0.355063516,-0.086956522,-0.071428571,-0.204081633,0.029411765,-2.61E-16,-0.05,-0.25,0.5,-0.086956522,-0.071428571,-0.204081633,0.029411765,7.28E-17,-0.05,-0.25,0.5,-0.086956522,-0.071428571,-0.204081633,0.029411765,-3.59E-15,-0.05,-0.25,0.5,-0.086956522,-0.071428571,-0.204081633,0.029411765,-3.09E-16,-0.05,-0.25,0.5,-0.086956522,-0.071428571,-0.204081633,0.029411765,5.76E-16,-0.05,-0.25,0.5,-0.25762159,0.113726927,-0.307784415,0.056447202,-0.021579895,0.141904457,-0.415197179,0.438922732,1.332180143,1.357281851,1.365813411,0.753693676,0.909375461,0.874327482,0.883296614,0.005344343,1.5,1.180803571,1.232142857,0.845588235,0.884615385,0.934375,1.078125,0,1.5,1.180803571,1.232142857,0.845588235,0.884615385,0.934375,1.078125,0,1.5,1.180803571,1.232142857,0.845588235,0.884615385,0.934375,1.078125,0,1.5,1.180803571,1.232142857,0.845588235,0.884615385,0.934375,1.078125,0,1.5,1.180803571,1.232142857,0.845588235,0.884615385,0.934375,1.078125,0,1.70823982,0.806943617,1.424867991,0.744356223,0.898512837,0.725617185,1.592818211,0,37.2538728,18.6269364,29.46437487,37.2538728,4.6567341,18.62693643,0,0.152176307,0.019022038,-1.506172411,117.2294631,14.65368288,3.81130659,37.2538728,18.6269364,29.46437487,37.2538728,4.6567341,18.62693643,0,0.152176307,0.019022038,-1.506172411,117.2294631,14.65368288,3.81130659,37.2538728,18.6269364,29.46437487,37.2538728,4.6567341,18.62693643,0,0.152176307,0.019022038,-1.506172411,117.2294631,14.65368288,3.81130659,37.2538728,18.6269364,29.46437487,37.2538728,4.6567341,18.62693643,0,0.152176307,0.019022038,-1.506172411,117.2294631,14.65368288,3.81130659,37.2538728,18.6269364,29.46437487,37.2538728,4.6567341,18.62693643,0,0.152176307,0.019022038,-1.506172411,117.2294631,14.65368288,3.81130659,37.2538728,18.6269364,29.46437487,37.2538728,4.6567341,18.62693643,0,0.152176307,0.019022038,-1.506172411,117.2294631,14.65368288,3.81130659,42.81395947,21.33406307,34.46307057,42.70458447,5.338073059,21.33406307,-0.145833333,0.23781305,0.029726631,-1.149016334,29.4050585,3.675632312,2.704933374,0,11.89,12.11011416,-0.173262233,0.049716441,5.148838661,7.613982403,7,23,22,22,6,1,1,0,0,1,17.491312,3.562470018,3.236379977,2.693124251,2.333552793,2.09525884,1.567614257,1.190357327,0.354660587,1.905810649,1.724255375,1.393573128,1.249629723,0.984731436,0.668813277,0.519142968,0.083923071,3.583519303,3.269735863,2.743313396,2.405454588,2.161998246,1.655758046,1.306821571,0.480308841,1.851662065,1.654143448,1.298572975,1.134540686,0.86938415,0.533596664,0.368612553,0.270913902,3.679796034,3.415958743,2.960625058,2.704236987,2.446001513,2.020044381,1.767326116,0.959218208,1.699737379,1.445002078,1.00302623,0.76031856,0.500342653,0.087775106,0.150423952,0.943918427,3.599226415,3.294295873,2.780167495,2.457539916,2.210765292,1.719568294,1.389852349,0.569017035,1.817803255,1.609224769,1.236622823,1.058262671,0.793364165,0.443539047,0.266675219,0.399277246,3.728855742,3.486696067,3.063354135,2.838982085,2.57703404,2.182365302,1.962850134,1.207644823,1.654829125,1.379012473,0.906271989,0.631337262,0.375813069,0.068349439,0.341520314,1.150770421,3.624213454,3.300568446,2.833280786,2.601972834,2.29631296,1.787556062,1.462759614,0.670046087,1.810205253,1.554447278,1.162800176,0.907855187,0.693774026,0.337571058,0.157116089,0.564705882,0,0,0,1,1,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.288675135,0,0,0,0.288675135,0.204124145,0.144337567,0.204124145,0.144337567,0.102062073,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,6.198670613,3.404030206,2.42370294,1.110263394,0.594861352,0.306186218,0.204124145,0,0.774833827,0.486290029,0.346243277,0.222052679,0.148715338,0.102062073,0.102062073,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,3,0,1,0,0,0,0,0,0,0,0,3,0,3,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.738148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.278541667,0,0,0.97625,0.870833333,0,0.278541667,0,0,0,0,0,0,0,0,6.518009259,0,3.910509259,0,2.295138889,0,0,0,0,1.443009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.443009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.278541667,0,0,0.216944444,0.290277778,0,0.278541667,0,0,0,0,0,0,0,0,2.148472222,0,1.262731481,0,2.295138889,0,0,0,0,1.443009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.295138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.278541667,0,0,0.290277778,0.290277778,0,0.278541667,0,0,0,0,0,0,0,0,2.221064815,0,1.338472222,0,2.295138889,0,0,0,0,1.443009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.16666667,1.770833333,0.290277778,2.295138889,0.064652778,1.262731481,5.139820046,0.237268519,0.295138889,1.626296296,0.237268519,0.295138889,1.626296296,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.375,0.125,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.31073,0.91384,8.40872,1.09799,0.13725,3.17869,0.39734,3.77005,0.59135,0.07392,0.14395,0.01799,0.14395,0.01799,0,7,0,0,0,0,0,0,0.75,0.918295834,1.976489212,3.240601563,3.40726823,3.40726823,3.216228125,22.03910002,47.43574108,77.77443751,81.77443751,81.77443751,77.18947501,0.200284263,0.43108078,0.706789109,0.743139825,0.743139825,0.701473158,3.666666667,2.608473289,1.344360938,1.177694271,1.177694271,1.368734375,0.200284263,0.43108078,0.706789109,0.743139825,0.743139825,0.701473158,6.73287657,16.95949615,19.1495148,19.31748564,19.31748564,17.02500439,31.59900002,18.30285172,17.09924844,16.57092761,16.57092761,15.42468698,8,5.142857143,7.2,8,2,7,2.34,1.1928,0.721124785,4.146039495,1.754410643,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,3.683,7,5,4,3,2,0,0,0,0,36,2.197224577,2.397895273,2.197224577,2.079441542,1.945910149,1.609437912,0,0,0,0,3.951243719,1.416666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,0,144.287877,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,112.1252005,4.671883355,14.66595917,1.833244896,0,0,0,79,5,3.974,28,1.214417213,2.102596126,2.940903626,3.646453952,4.718549572,5.838274471,6.853197868,7.835037254,0,0,74.53447109,75.033347,75.03735951,75.51638572,93.97357672,103.786293,48.46076608,7.960899292,0,0,279.1321305,327.871147,377.4817592,392.6230112,503.0673674,592.7052397,526.01338,243.5422956,0,0,8.835226969,14.94017017,20.73042368,25.43061033,32.91917474,40.68747015,47.53646506,52.63941573,0,0,2.110790671,2.702554491,3.298170437,3.551807522,4.58300166,5.507088194,5.549851922,3.483558673,0,0,174.0351032,327.0447126,469.1479947,602.8584733,778.9246434,966.5427995,1148.314694,1448.836692,0,0,2.702289201,3.794005638,5.048225102,5.561362879,7.315105383,9.112905938,10.59473503,7.835037254,0,0,0.437465462,0.56968832,0.702343443,0.762076801,0.984193806,1.186191443,1.216602975,0.802307815,0,0,377.5127537,173.0117041,10.23867865,86.92407263,-39.83675196,-5.455943126,290.5886811,212.848456,15.69462178,0.812839836,0.372519349,0.022045363,0.187160164,-0.085774318,-0.011747439,175.3308252,80.35300676,4.755219418,40.37074043,-18.50165465,-2.53394091,0.124691145,0.186095391,1.652295699,1.685505341,464.4368263,0,1,0,457.8334098,21.39704208,7.707304082,617.9872394,24.85934913,8.517781642,716.3503618,26.76472234,8.947639846,2.130308929,2.130308929,817.2929717,752.8234856,83.52427277,1.085636922,9.785095333,9.013230054,4.564734821,4.642455412,9.034097082,0.945973904,6.500553359,5.981495678,2.568694641,21.1945674,10.49436088,5.854318255,5.573129798,9.65185009,10.57638494,2.59526187,4.956828955,5.493342225,4.607163592,5.48889011,1.556763875,0.580539527,1.780572197,7.48E-10,6.06E-41,9.46E-94,2.85E-168,1.66E-264,0,0,0,0,0,0,0,0,0.545551511,5.97272424,0.210446078,6.93660553,1.13595818,0.332928619,0.807526426,1.196255127,3.291390599,0.142034748,0.238286675,0.339874801,0.239654016,1.270671334,0.049180344,0.036370059,0.012540716,5.27E-12,4.26E-43,6.66E-96,2.01E-170,1.17E-266,0,0,0,0,0,0,0,0,1.761094344,5.973310517,0.682723698,8.091937118,1.955515114,1.178582185,1.665374221,2.04575354,4.280219129,0.345538432,0.884318473,1.112637895,0.856549581,2.090346174,0.212441772,0.125545146,0.130683925,5.49E-11,4.44E-42,6.94E-95,2.09E-169,1.22E-265,0,0,0,0,0,0,0,0,6.135992413,5.980532704,2.421108193,19.70083641,9.53559527,5.416759896,5.240730402,8.824139003,9.954158231,2.339919056,4.555775467,5.07908973,4.24264119,5.216024266,1.413362518,0.539477836,1.586457771,6.66E-10,5.40E-41,8.43E-94,2.54E-168,1.48E-264,0,0,0,0,0,0,0,0,2.595526392,5.974070518,1.00962684,9.406138514,2.841964457,1.842644326,2.288380022,2.889149295,5.106943064,0.573497684,1.421959515,1.72600673,1.361565327,2.665305977,0.367411316,0.193264058,0.283862948,1.19E-10,9.65E-42,1.51E-94,4.54E-169,2.64E-265,0,0,0,0,0,0,0,0,7.850358451,5.985544816,3.11879254,27.43013083,14.4823431,7.587423331,6.850013092,13.06854792,13.08032288,3.660080398,6.569130223,7.139268358,6.067128636,6.515800226,2.145744047,0.741369788,2.596797208,1.09E-09,8.83E-41,1.38E-93,4.16E-168,2.42E-264,0,0,0,0,0,0,0,0,3.772495921,5.485118347,1.362237447,11.82901642,4.43889855,2.947006061,2.98537677,4.051732234,6.573031771,0.951551779,2.123188902,2.690598848,2.056030025,3.984192473,0.654957646,0.319030258,0.567811535,2.38E-10,1.93E-41,3.02E-94,9.09E-169,5.28E-265,0,0,0,0,0,0,0,0,7.983640768,1.27785718,0.393892499,0.826858407,0.132346505,0.596886717,0.54270217,0.499967155,9.655390447,13.84998725,27.52385033,0.740287611,1.639556043,6.641537896,0.660633259,0.084917012,0.899073863,0.089430807,0.412803719,0.144372803,0.023236754,7.387088167,5.007699379,12.76737119,0.848610795,0.580413276,7.174397396,0.905954764,0.207632046,0.865638401,0.109309422,0.481813707,0.272172679,0.138923214,8.287984206,8.177419551,17.81494551,0.798457602,0.8929096,7.95039705,1.262593487,0.386243136,0.828232474,0.131530654,0.591915425,0.529781894,0.480737061,9.599233674,13.5965739,27.07296234,0.74234871,1.60243438,7.411995006,1.015224457,0.262331188,0.852977939,0.116832791,0.514314906,0.342067479,0.221761375,8.689550651,9.735561102,20.3991116,0.779466909,1.078143761,8.087722919,1.325638781,0.417840611,0.822658579,0.134839945,0.612586553,0.584151364,0.562609873,9.831202311,14.65468396,28.96572224,0.733987868,1.75934779,7.967016482,1.264937321,0.386479466,0.828307091,0.131511784,0.594399155,0.531770492,0.481325536,9.618433269,13.64573706,27.159024,0.742460637,1.607495183 +UMLYSI0157,L,1-nonene,CCCCCCCC=C,alkenes,C9H18,124-11-8,31285,PubChem,,64.4,0,-0.4256,0.18113536,35.0557,27.842274,0,0,27,9,18,0,9,0,0,0,0,0,0,0,0,0,1316.666241,1372.040552,1395.329215,1235.06511,1040.340509,843.58378,646.827051,450.070322,253.313593,4371.159516,5453.394309,6832.290864,6686.239002,5741.608146,4734.809801,3728.011456,2721.213111,1714.414766,188.796996,188.441504,340.614844,446.090712,396.64274,333.75784,270.87294,207.98804,145.10314,33.10313229,42.35499758,58.48830266,61.25102783,53.11872478,44.09719592,35.07566706,26.0541382,17.03260934,4469.666941,3770.560708,7483.535992,10595.72703,9486.607182,8007.652027,6528.696872,5049.741717,3570.786562,48.5,55.25,80.5,94.25,84,71.75,59.5,47.5,35,48.76541633,52.77079046,29.06935865,19.29789234,18.25158788,17.57466208,16.585309,15.00234407,12.06255205,161.8947969,209.7459349,142.339393,104.4724844,100.7299675,98.64187085,95.59003733,90.70710369,81.63879838,6.992481333,7.247750154,7.096142583,6.970167375,6.958644561,6.953288333,6.94546,6.932934667,6.909673333,1.226041937,1.629038368,1.218506305,0.95704731,0.931907452,0.918691582,0.899376078,0.868471273,0.811076635,165.54322,145.0215657,155.9069998,165.5582349,166.431705,166.8260839,167.4024839,168.3247239,170.0374553,1.796296296,2.125,1.677083333,1.47265625,1.473684211,1.494791667,1.525641026,1.583333333,1.666666667,0.057726066,-0.007612282,-0.027051327,0.001674876,0.001197881,2.00E-05,9.90E-05,0.001767956,-0.001763488,726.396054,-53.80711511,-322.8426907,-26.90355756,-3.30E-13,-2.74E-13,-2.74E-13,-2.45E-13,-1.88E-13,1350.764481,-100.0566282,-600.3397692,-50.0283141,-2.20E-13,-1.07E-13,-1.07E-13,-4.97E-14,7.11E-15,0.142296,-0.010540444,-0.063242667,-0.005270222,-4.45E-16,-4.45E-16,-4.45E-16,-4.52E-16,-4.59E-16,6.038545709,-0.447299682,-2.683798093,-0.223649841,-3.55E-15,-3.55E-15,-3.55E-15,-3.77E-15,-3.77E-15,32.80147613,-2.429738973,-14.57843384,-1.214869486,4.53E-14,4.35E-14,4.35E-14,4.71E-14,4.62E-14,5.685185185,-0.48388203,-1.4218107,-0.077846365,-0.020576132,-0.097736626,-0.174897119,-0.002057613,0.300411523,0.002138002,-2.93E-04,-5.64E-04,2.62E-05,2.10E-05,4.18E-07,2.54E-06,5.89E-05,-8.40E-05,26.90355756,-2.069504427,-6.725889389,-0.420368087,-5.80E-15,-5.70E-15,-7.01E-15,-8.17E-15,-8.97E-15,50.0283141,-3.848331854,-12.50707852,-0.781692408,-3.86E-15,-2.22E-15,-2.73E-15,-1.66E-15,3.38E-16,0.005270222,-4.05E-04,-0.001317556,-8.23E-05,-7.81E-18,-9.27E-18,-1.14E-17,-1.51E-17,-2.18E-17,0.223649841,-0.017203834,-0.05591246,-0.003494529,-6.23E-17,-7.40E-17,-9.11E-17,-1.26E-16,-1.80E-16,1.214869486,-0.093451499,-0.303717372,-0.018982336,7.95E-16,9.07E-16,1.12E-15,1.57E-15,2.20E-15,0.210562414,-0.018610847,-0.029621056,-0.001216349,-3.61E-04,-0.00203618,-0.004484542,-6.86E-05,0.014305311,-0.13694094,-0.263596203,0.012240371,0.009829484,1.95E-04,0.001187057,0.027563988,-0.039277602,-0.076923077,-0.25,-0.015625,-2.15E-16,-2.12E-16,-2.61E-16,-3.04E-16,-3.33E-16,-0.076923077,-0.25,-0.015625,-7.72E-17,-4.44E-17,-5.46E-17,-3.31E-17,6.76E-18,-0.076923077,-0.25,-0.015625,-1.48E-15,-1.76E-15,-2.16E-15,-2.86E-15,-4.15E-15,-0.076923077,-0.25,-0.015625,-2.79E-16,-3.31E-16,-4.07E-16,-5.63E-16,-8.04E-16,-0.076923077,-0.25,-0.015625,6.54E-16,7.46E-16,9.19E-16,1.29E-15,1.81E-15,-0.088386369,-0.140675896,-0.005776669,-0.001714384,-0.009670195,-0.02129792,-3.26E-04,0.067938576,1.465288178,1.262212595,0.802947877,0.825917212,0.871772174,0.92607624,0.994231318,1.258723447,1.5,1.399305556,0.947916667,0.912280702,0.902777778,0.888888889,0.866666667,0.825396825,1.5,1.399305556,0.947916667,0.912280702,0.902777778,0.888888889,0.866666667,0.825396825,1.5,1.399305556,0.947916667,0.912280702,0.902777778,0.888888889,0.866666667,0.825396825,1.5,1.399305556,0.947916667,0.912280702,0.902777778,0.888888889,0.866666667,0.825396825,1.5,1.399305556,0.947916667,0.912280702,0.902777778,0.888888889,0.866666667,0.825396825,1.451140065,0.893220684,0.723508754,0.772244128,0.869401466,1.011400651,1.200488599,1.46998604,53.38801749,26.69400875,43.0798778,53.38801749,5.932001944,26.69400875,3.55E-15,0.047031647,0.005225739,-2.751241111,63.13970138,7.015522375,3.730814778,53.38801749,26.69400875,43.0798778,53.38801749,5.932001944,26.69400875,3.55E-15,0.047031647,0.005225739,-2.751241111,63.13970138,7.015522375,3.730814778,53.38801749,26.69400875,43.0798778,53.38801749,5.932001944,26.69400875,3.55E-15,0.047031647,0.005225739,-2.751241111,63.13970138,7.015522375,3.730814778,53.38801749,26.69400875,43.0798778,53.38801749,5.932001944,26.69400875,3.55E-15,0.047031647,0.005225739,-2.751241111,63.13970138,7.015522375,3.730814778,53.38801749,26.69400875,43.0798778,53.38801749,5.932001944,26.69400875,3.55E-15,0.047031647,0.005225739,-2.751241111,63.13970138,7.015522375,3.730814778,53.38801749,26.69400875,43.0798778,53.38801749,5.932001944,26.69400875,3.55E-15,0.047031647,0.005225739,-2.751241111,63.13970138,7.015522375,3.730814778,69.85826146,34.68838999,56.88868035,69.58000559,7.731111732,34.68838999,-0.481481481,0.084954253,0.009439361,-2.219078135,47.15445713,5.239384125,3.468085682,0,11.79,12.2100686,-0.306948038,0.113298045,5.114156485,7.369861536,8,26,25,25,7,1,1,0,0,1,19.677726,3.51159031,3.31635993,2.98834124,2.562029962,2.097534406,1.667439732,1.334597827,1.128481888,1.918070247,1.764881619,1.539930246,1.275286749,1.006292201,0.775903511,0.612879995,0.519579118,3.538971699,3.346441096,3.026321316,2.612908677,2.16564068,1.755784923,1.442857031,1.251738157,1.858614895,1.699218321,1.461758002,1.178337247,0.888817846,0.640282409,0.463880073,0.362690307,3.659489251,3.479210345,3.192848192,2.83379323,2.456083844,2.122547387,1.878694685,1.735546857,1.683557566,1.505779444,1.225852736,0.876973302,0.511699368,0.190904848,0.042264004,0.178485122,3.559152313,3.368634168,3.054301709,2.650306971,2.215455044,1.819860123,1.520546126,1.339359411,1.82073547,1.657359055,1.411410083,1.115129655,0.811269991,0.549717034,0.363521315,0.25647763,3.718203213,3.544045139,3.273151783,2.938441022,2.59017427,2.28638441,2.067135746,1.93976831,1.628942535,1.445510999,1.15081057,0.778474012,0.384251709,0.033380753,0.225374274,0.378387249,3.648063016,3.408303993,3.116994093,2.710178462,2.269913005,1.879041347,1.592006834,1.419927752,1.864503637,1.628158597,1.309747573,0.987701388,0.701846909,0.453525013,0.263945892,0.150826894,0,0,1,1,0,1,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.949747468,4.414213562,2.767766953,1.707106781,1.030330086,0.603553391,0.338388348,0.176776695,0.772194163,0.551776695,0.395395279,0.284517797,0.206066017,0.150888348,0.112796116,0.088388348,6.527097737,4.023603362,2.491563832,1.511801681,0.892228525,0.505900841,0.269337567,0.12319982,0.725233082,0.50295042,0.35593769,0.251966947,0.178445705,0.12647521,0.089779189,0.06159991,13.87645023,25.99053168,24.52941176,24.84,16.18699042,207.2542958,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.45909,43.303,27.74218932,44.32390806,55.48437864,6.16493096,27.74218932,1.22E-15,1.36E-16,-30.90501477,2000019.329,222224.3699,13.05780066,96,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,7,1,0,2,0,0,0,0,0,0,0,0,1,1,6,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.684377283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.377558067,0.318144487,0,0,1.604297446,0.290277778,0,0.695702554,0,0,0,0,0,0,0,0,2.243552847,3.678478757,8.07206987,0,2.005898526,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.005898526,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.377558067,0.318144487,0,0,0.20699267,0.290277778,0,0.318144487,0,0,0,0,0,0,0,0,2.243552847,3.678478757,1.198129252,0,2.005898526,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.678478757,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.377558067,0.318144487,0,0,0.290277778,0.290277778,0,0.377558067,0,0,0,0,0,0,0,0,2.243552847,3.678478757,1.407083333,0,2.005898526,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,1.777777778,0.377558067,3.678478757,0.20699267,1.198129252,6.591360339,0.301870748,0.678478757,1.855860261,0.301870748,0.678478757,1.855860261,4.5,0.5,0,0,0.43333,0.7,0.42414,0.42414,0.7,0.0092,0.0092,0,0,0.71429,0,0,0.22222,0,0,5,0.55556,4,0.44444,1,0.11111,-3,-0.33333,0,0,8.03117,0.89235,9.36685,1.33569,0.14841,3.84933,0.4277,4.41421,0.56488,0.06276,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,8,0,0,0,0,0,0,0.777777778,0.918295834,1.978299098,3.024181726,3.531941206,3.450469689,2.971962854,24.79398752,53.41407565,81.65290661,95.36241255,93.16268161,80.24299707,0.193126721,0.416055921,0.63601541,0.742802265,0.725667997,0.625033264,3.836591668,2.776588404,1.730705776,1.222946297,1.304417813,1.782924648,0.193126721,0.416055921,0.63601541,0.742802265,0.725667997,0.625033264,6.73287657,14.68947561,18.53423282,19.04596554,16.17316598,15.69091482,35.54887502,25.86629038,20.33226494,19.03080047,23.50953274,24.89912079,9,8,8,9,2,9,2.45,1.3337,0.125,4.141993258,0,0,9.333258269,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,4.158,7,6,5,4,3,2,1,0,0,45,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,0,3.988984047,1.177777778,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0.75,7,0.875,1,4,8,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0,0,0,0.0625,0.031746032,0.020833333,0.016,0.013888889,0.013605442,0.015625,0,0,0,0.174198696,27.74218932,44.32390806,55.48437864,6.16493096,27.74218932,1.22E-15,1.36E-16,-30.90501477,2000019.329,222224.3699,13.05780066,0,161.5838616,4.169925001,3.433987204,4.043051268,4.672828834,5.303304908,5.942799375,6.580639137,7.22329568,7.863651265,8.507344855,70.57090253,2.833213344,0,3.80666249,0,4.919980926,0,6.098074282,0,7.311218384,7.671360923,126.1408506,4.671883355,16.82976754,1.869974171,0,0,0,120,6,5.095,30,1.229615385,2.138260878,2.873426563,3.611805304,4.947929931,5.97191893,7.290492353,8.400216134,9.727008235,10.7870266,75.7402924,69.49443052,67.57389813,85.45666489,103.5932588,117.7864314,124.5725342,114.2897172,57.65276042,10.9603094,283.2633539,325.2100498,331.0786709,429.5150962,538.6076585,634.2869997,711.0303113,733.8638144,662.6482056,335.3011781,8.946671626,15.22024603,20.08318066,25.32209386,34.5311019,41.66142719,50.68271276,58.19631427,67.06978768,72.4722499,2.140668074,2.732434706,2.927112061,3.797020875,4.863264252,5.788329582,6.654376824,7.140371024,7.205868521,4.796051233,176.1587208,330.0074117,471.9925306,586.951339,816.1513909,985.9145372,1216.855449,1416.650596,1661.752699,1994.711632,2.682144231,3.680866457,4.363046166,5.711028449,7.695203426,9.561579623,11.96721576,14.5946489,16.59883102,10.7870266,0.443606538,0.577455887,0.625646718,0.810939922,1.042991209,1.243346573,1.435751034,1.550256236,1.588694515,1.104591524,431.733894,241.2111906,13.1278098,205.7370778,-114.946003,-14.6002575,225.9968162,356.1571937,27.7280673,0.677260476,0.378387725,0.020593581,0.322739524,-0.180315666,-0.022903408,275.217825,153.7651321,8.368597673,131.151415,-73.27474028,-9.307240337,0.101359382,0.183693994,2.08307546,8.676946458,637.4709719,0,1,0,517.3025159,22.74428535,8.027522476,692.3061023,26.31171036,8.846389421,797.4056523,28.23837198,9.273131887,3.18171488,3.18171488,1362.112682,1335.088678,50.37025088,1.020241355,27.04200709,26.50549986,4.738871125,5.904073573,11.44855748,0.93909465,5.265196638,6.760431369,3.719840485,27.86440736,12.36140148,1.027402202,6.415342666,8.538107366,16.96265954,0.646267268,2.064652775,11.40182885,3.241743415,9.71820657,1.24366367,2.736081002,1.174394241,2.075962892,1.134384638,1.726294071,0.07714253,1.534974699,1.24E-13,1.94E-48,5.85E-105,3.40E-183,3.81E-283,0,0,0,0.441882176,6.760117552,0.250615271,6.960599737,0.090431804,0.084835351,0.781259731,0.239152187,4.964464643,0.023086828,0.063608149,0.748342981,0.132694911,2.699672876,0.056420372,0.110906041,0.070607723,0.088503029,0.552604469,0.139441425,0.006424722,0.010810952,8.76E-16,1.37E-50,4.12E-107,2.40E-185,2.69E-285,0,0,0,1.426423487,6.760139158,0.849583685,8.483709724,0.91591368,0.267549946,1.922294073,1.086579601,6.592313117,0.095052657,0.249116007,2.523533001,0.520185021,3.928982012,0.213728582,0.372727318,0.245364725,0.342180652,0.671300165,0.453714847,0.020772282,0.112658458,9.13E-15,1.43E-49,4.30E-106,2.50E-184,2.80E-284,0,0,0,4.969916782,6.76039714,3.468834712,25.6140247,11.01610623,0.966273271,6.067243502,7.730564175,15.93761153,0.588575027,1.863278636,10.60833079,2.963982234,9.216607946,1.140899465,2.47842591,1.088938533,1.900517581,1.09874794,1.625738826,0.072782298,1.367634822,1.11E-13,1.73E-48,5.22E-105,3.03E-183,3.40E-283,0,0,0,2.102280232,6.760166595,1.293172866,10.34396883,1.981195481,0.395852987,2.708251288,1.919675003,7.95362289,0.160856421,0.442659216,3.860739454,0.859563728,4.833235068,0.34696393,0.633825458,0.38033908,0.56145591,0.752798272,0.672315133,0.030647399,0.244709226,1.98E-14,3.10E-49,9.33E-106,5.42E-184,6.08E-284,0,0,0,6.358485034,6.760575155,4.693054594,37.29868042,18.01695212,1.257624705,7.707813115,11.86812143,21.08782267,0.88206367,2.899803373,14.50022974,4.369435361,11.6570705,1.65830914,3.800134196,1.511102714,2.786614749,1.266354602,2.102475846,0.09332163,2.23861634,1.81E-13,2.83E-48,8.54E-105,4.96E-183,5.56E-283,0,0,0,3.030587939,5.358143719,1.966744819,12.75051073,3.926920086,0.480523455,4.208440479,3.069892164,9.644354813,0.242624797,0.736686683,5.588766889,1.251783305,7.039794441,0.491579748,1.099129276,0.517025212,0.847766707,1.349720241,1.593895511,0.048613795,0.485675588,3.93E-14,6.15E-49,1.85E-105,1.08E-183,1.21E-283,0,0,0,11.27670814,0.809827751,0.428981117,0.901018163,0.064705897,0.523912532,0.612249598,0.518508633,12.51551701,14.31708686,30.75014145,0.851527244,1.654670763,10.55433109,0.307053624,0.092481564,0.963525647,0.028031529,0.458936772,0.088021066,0.024098498,10.95386628,4.245223452,15.49879895,0.94528847,0.571056336,10.84123567,0.506739326,0.226128264,0.9366804,0.043782167,0.484228186,0.239729568,0.144075235,11.57410326,8.059778338,20.87615802,0.9050206,0.86803299,11.25882411,0.797380494,0.420650336,0.902376774,0.063908773,0.522251996,0.593573904,0.498565384,12.47685494,14.04901325,30.30228465,0.853565161,1.614391284,10.96912091,0.595747403,0.285700099,0.925619812,0.050271631,0.4957202,0.33134014,0.229985482,11.85056841,9.838909314,23.55647796,0.888429719,1.057045822,11.33269829,0.848796785,0.455062567,0.89681847,0.067169937,0.52912827,0.672588498,0.583474481,12.63655764,15.16250029,32.1763766,0.845227705,1.785191249,11.35287721,0.797002432,0.420865258,0.903118892,0.063401369,0.531012942,0.593017602,0.499074975,12.5707449,14.16173298,30.54058069,0.854678339,1.623105519 +UMLYSI0158,L,isoamyl ether,CC(C)CCOCCC(C)C,saturated ethers,C10H22O,544-01-4,10989,PubChem,,63.6,0,0.4389,0.19263321,45.4023,33.071446,0,0,33,11,22,0,10,0,1,0,0,0,0,0,0,0,1720.962619,1804.796882,2126.682699,1847.303904,1623.503967,1212.693558,1044.233405,871.862212,796.171492,5135.402172,6517.799778,8684.604044,9039.562691,7412.308455,5667.310963,5349.40649,5088.618011,4306.94708,236.563084,236.9798,446.841468,563.379216,616.916316,445.06428,276.508724,374.86696,312.005776,38.31368791,49.48785482,70.43798772,78.99072268,68.20348189,48.51367189,46.4535553,48.10273616,40.08763158,5521.583191,4689.737555,9740.931832,12677.36055,14897.43887,10431.5678,6094.499237,9053.567731,7580.079488,62.80555556,68.33333333,111.0833333,136.1666667,137.25,104.3333333,64.11111111,75.33333333,65,52.15038239,56.39990256,34.8636508,23.68338338,18.66096514,20.2115593,26.77521551,16.14559652,17.69269982,155.6182476,203.6812431,142.3705581,115.8918294,85.19894776,94.45518272,137.164269,94.23366687,95.7099351,7.168578303,7.40561875,7.325269967,7.222810462,7.090992138,7.417738,7.089967282,6.941980741,6.933461689,1.161020846,1.546495463,1.15472111,1.012701573,0.783948068,0.808561198,1.191116803,0.89079141,0.890836257,167.3207028,146.5542986,159.6874071,162.5302635,171.2349296,173.8594633,156.2692112,167.6586617,168.4462109,1.903198653,2.135416667,1.821038251,1.745726496,1.577586207,1.738888889,1.643874644,1.395061728,1.444444444,0.194877108,-0.037603966,-0.065242326,-0.03610642,0.099035734,-0.08157743,-0.002934664,0.021289793,0.012895504,961.7462182,-23.27742605,-130.0036972,-499.3135175,346.8866048,-11.02739911,-335.5700796,8.766810512,129.7013803,1566.919922,-163.3999282,-163.5282013,-877.6194649,233.2540412,625.7870365,-572.419884,-14.30351288,210.5392008,1.159840242,0.062589826,-0.189773781,-0.228087361,0.302382391,-0.756662744,-0.076089741,0.066306512,0.08320876,6.949992824,-1.086528191,-0.584776176,-3.844845227,-0.174937444,4.434248046,-2.392942125,-0.120964437,0.879233203,38.13088181,-6.501206483,-2.997334772,-20.80967877,-2.997051501,26.62275521,-12.70881941,-0.726667241,4.694303423,8.925925926,-1.660493827,-0.154320988,-4.814814815,6.277777778,-4.703703704,-1.268518519,-0.055555556,3.027777778,0.005905367,-0.001175124,-0.001069546,-4.63E-04,0.001138342,-0.001359624,-7.52E-05,3.94E-04,2.87E-04,29.1438248,-0.727419564,-2.13120815,-6.401455353,3.987202354,-0.183789985,-8.604361014,0.162348343,2.882252896,47.48242188,-5.106247755,-2.680790185,-11.2515316,2.681080933,10.42978394,-14.67743292,-0.264879868,4.678648906,0.035146674,0.001955932,-0.003111046,-0.002924197,0.00347566,-0.012611046,-0.001951019,0.001227898,0.001849084,0.210605843,-0.033954006,-0.009586495,-0.049292888,-0.002010775,0.073904134,-0.06135749,-0.002240082,0.019538516,1.155481267,-0.203162703,-0.049136636,-0.266790753,-0.034448868,0.443712587,-0.325867164,-0.013456801,0.104317854,0.270482604,-0.051890432,-0.002529852,-0.061728395,0.072158365,-0.078395062,-0.032526116,-0.001028807,0.067283951,-0.198992535,-0.181114289,-0.078386801,0.192763937,-0.230235286,-0.012742272,0.066762224,0.048526496,-0.024959646,-0.073127263,-0.219650489,0.136811224,-0.00630631,-0.295237879,0.005570592,0.098897551,-0.10753975,-0.056458581,-0.236962041,0.056464705,0.219655686,-0.30911298,-0.005578483,0.098534336,0.055650559,-0.088516074,-0.08319982,0.098890144,-0.358811924,-0.055510772,0.034936403,0.052610485,-0.161220627,-0.045518655,-0.234052801,-0.009547576,0.350912078,-0.291338025,-0.010636372,0.092772904,-0.175825181,-0.042524822,-0.230891457,-0.029813437,0.384006733,-0.282018561,-0.011646057,0.09028087,-0.19184388,-0.009353105,-0.228215768,0.266776363,-0.289834025,-0.120252154,-0.003803596,0.248755187,1.262217895,1.591845022,1.253997418,0.859851929,2.8636518,0.329194537,0.207609523,0.165187519,1.401232693,1.244378275,1.283029658,0.746329224,1.083424016,1.342735472,0.820560566,0.716125585,1.602411321,1.197966172,1.290532823,0.775605427,0.553551582,1.532534652,0.936548954,0.817351814,0.935766807,1.554037428,1.265669624,0.985881636,3.166249396,0.218108199,0.133288344,0.116324373,1.701309833,1.199112465,1.294221346,0.826399936,0.394575527,1.544633591,0.94394275,0.823804582,1.722882386,1.20466455,1.295025917,0.845534292,0.382358428,1.529304663,0.934575072,0.815629153,1.347510373,1.243997007,1.386530482,0.711975962,2.330290456,0.59495691,0.43153527,0.212448133,71.1292351,35.68961755,56.24115134,71.33378055,6.484889141,35.68961755,0.25,5.55E-17,5.05E-18,-41.17294253,2000029.963,181820.9058,15.95953999,71.14545523,35.69736041,56.25536891,71.3493998,6.486309073,35.69736041,0.249265579,2.78E-16,2.52E-17,-39.40256082,2000029.958,181820.9053,15.95953999,85.51928418,42.56014485,69.01519098,85.19283415,7.744803105,42.56014485,-0.398994478,2.22E-16,2.02E-17,-39.64801873,2000027.331,181820.6665,15.95953854,71.16247854,35.70548667,56.27029107,71.36579247,6.487799315,35.70548667,0.2484948,3.33E-16,3.03E-17,-39.20200711,2000029.952,181820.9048,15.95953999,100.7613594,49.83953256,82.75815996,99.87584589,9.079622353,49.83953256,-1.082294264,1.33E-15,1.21E-16,-37.67708331,2000026.355,181820.5777,15.95953801,72.82776335,36.50044877,57.73275605,72.9694186,6.633583509,36.50044877,0.173134186,1.39E-15,1.26E-16,-37.63217912,2000029.451,181820.8592,15.95953971,79.10733305,39.6766824,62.18238922,79.30863175,7.209875614,39.6766824,0.246031746,5.55E-17,5.05E-18,-41.17294253,2000033.869,181821.2608,15.95954214,0,11.89,15.99491714,-0.38062842,0.05728171,5.650339255,7.452178015,10,32,32,32,10,0,0,0,0,0,25.966554,3.525306372,3.414151418,3.038391929,2.63562661,2.333552793,2.333552793,1.987861898,1.606353178,1.890304419,1.849455712,1.4966013,1.338305168,1.249629723,1.249629723,0.837312582,0.730598231,3.514906578,3.443368613,2.983126076,2.685713071,2.405454588,2.405454588,1.969181319,1.696158484,1.849143617,1.785761683,1.465184361,1.242664608,1.134540686,1.134540686,0.746760998,0.593303286,3.661869824,3.572288207,3.218203032,2.903156547,2.704236987,2.704236987,2.323044497,2.068570834,1.655763571,1.598077949,1.175264342,0.945676396,0.76031856,0.76031856,0.319158052,0.137912782,3.526588746,3.464922761,2.984988855,2.722526392,2.457539916,2.457539916,1.996402416,1.761267965,1.824805791,1.745156693,1.442798239,1.180336987,1.058262671,1.058262671,0.686863653,0.501585674,3.710520963,3.63521567,3.277002318,3.006216651,2.838982085,2.838982085,2.441909709,2.23473463,1.605919531,1.539572801,1.112590104,0.848691783,0.631337262,0.631337262,0.19765212,0.021910865,3.652130738,3.485392173,3.284757257,2.769256072,2.657839583,2.657839583,2.275856437,1.831685943,1.762206657,1.714913703,1.246899279,1.096824427,0.857839583,0.857839583,0.500599037,0.389845039,0,0,0,0,0,6,2,2,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.816496581,0,0,0,0.577350269,0.40824829,0.288675135,0.577350269,0.23570226,0.166666667,8.690234444,5.125897658,4.425704141,2.062948829,1.281948411,0.781474414,0.467173856,0.23570226,0.790021313,0.512589766,0.40233674,0.257868604,0.183135487,0.130245736,0.093434771,0.058925565,8.391375954,4.703247927,3.977416405,1.679077933,0.74013326,0.451184464,0.269722951,0.136082763,0.762852359,0.470324793,0.36158331,0.209884742,0.105733323,0.075197411,0.05394459,0.034020691,16.67490495,32.09686817,30.32941176,30.76,19.26433892,254.7226323,0.50530015,0.972632369,0.919073084,0.932121212,0.583767846,7.718867647,3.0952,49.729,38.32991157,61.1165275,76.65982313,6.96907483,38.32991157,7.22E-16,6.56E-17,-38.35149823,2000028.564,181820.7785,15.95953922,126,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,4,0,4,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.455277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.007222222,0,0,0,0,0,0,0,0,0,0,0,8.911927438,0,4.254924414,0,0,0,1.544537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.455277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.455277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,2.227981859,0,0.934907407,0,0,0,0.772268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.455277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.455277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.227981859,0,1.1925548,0,0,0,0.772268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.455277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.16666667,1.833333333,0.45,5.455277778,-0.007222222,0.772268519,6.557254461,0.565092593,1.955277778,5.734410431,0.565092593,1.955277778,5.734410431,5.33333,0.48485,0,0.01515,0.45657,0.7697,0.42571,0.45657,0.7697,0.03085,0,-0.03085,0,0.62992,0.08437,0,0.375,0.1875,0,5.5,0.5,5.5,0.5,0,0,-5.5,-0.5,0,0,12.05725,1.09611,13.36873,1.31148,0.11923,4.61659,0.41969,5.12588,0.50929,0.0463,0.28812,0.02619,0.28812,0.02619,0,10.01,1,1,1,1,0,0,1,1.06479483,1.647197283,2.771074422,2.771074422,2.771074422,2.649862301,35.13822938,54.35751033,91.44545593,91.44545593,91.44545593,87.44545593,0.211084781,0.326540164,0.549337414,0.549337414,0.549337414,0.52530834,3.97959929,3.397196837,2.273319697,2.273319697,2.273319697,2.394531818,0.212958966,0.329439457,0.554214884,0.554214884,0.554214884,0.52997246,9.101528876,16.09035831,17.22302983,17.22302983,17.22302983,15.76848437,41.11989751,27.48288531,28.71423353,28.71423353,28.71423353,31.6878977,11,6.694214876,10,11,0,4,2.45,1.5763,1.190550789,4.36819338,3.023715784,0,2.941682753,3.181082915,0,0.166666667,0,0,0,0,0,0,0,0,0,0,0,0.003,0.332,0.33,0.234,0.024,4.668,11,8,7,6,5,4,4,0,0,66,2.397895273,2.48490665,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.609437912,0,0,4.204692619,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0.6,10,1,0,4,8,1,2.5,0.666666667,0.375,0.24,0.166666667,0.081632653,0.125,0,0,0,0.25,0.060606061,0.046875,0.034285714,0.027777778,0.016326531,0.03125,0,0,0,0.467121083,38.32991157,61.1165275,76.65982313,6.96907483,38.32991157,7.22E-16,6.56E-17,-38.35149823,2000028.564,181820.7785,15.95953922,9.23,190.3065317,4.459431619,3.761200116,4.394449155,5.117993812,5.771441123,6.49375384,7.155396302,7.875879159,8.541105011,9.260367866,79.37158638,3.044522438,0,4.17438727,0,5.416100402,0,6.705639095,0,8.019941688,8.33710913,158.1670653,4.792941373,20.4955842,1.863234928,2.939826406,2.939826406,0,204,8,3.736,42,1.2335625,2.11753216,2.882847238,3.513339754,4.47912333,5.766309998,6.53605442,7.672488771,8.692920738,9.195700449,81.03112601,82.7789236,78.23807494,81.37789359,109.5745722,175.0997944,122.7644994,150.7474971,75.02742744,9.343420181,275.5757576,325.1579323,355.5771204,335.0721032,479.1657126,849.8770153,673.8907367,784.130892,769.4762632,285.8368026,9.196593589,15.57557923,20.88717678,25.16086024,33.54617902,41.01576464,45.53982199,53.33780793,60.78544039,61.78098242,2.031303529,2.585673066,3.034159438,2.944254817,3.951587505,7.227528816,6.202750392,7.160054076,7.857386447,4.088527089,178.8811197,334.2299659,465.5868825,595.3719113,769.814705,891.5570167,1083.32134,1281.855654,1417.710896,1700.447336,2.717119792,3.989018875,5.152704648,5.931860328,8.184268728,9.709661728,9.419280198,11.4297378,14.66124825,9.195700449,0.439876875,0.573241921,0.679431684,0.68837834,0.930425992,1.530328863,1.334407848,1.539664252,1.711396949,0.941639726,482.8710375,374.3072402,13.53561369,132.3633161,-102.6040986,-10.87138731,350.5077214,476.9113388,24.40700099,0.784857079,0.608397821,0.022000744,0.215142921,-0.166772382,-0.017670319,297.0788507,230.286673,8.327574537,81.43445923,-63.12556629,-6.688450944,0.072662525,0.490991188,0.499915052,5.201628232,604.640216,10.59413765,0.982780322,0.017219678,692.012351,26.30612763,8.845138045,905.1271448,30.08533106,9.673193229,1196.789577,34.59464665,10.61710061,2.224558928,2.224558928,1752.537952,1716.440306,141.5117413,1.021030528,12.3843996,12.12931373,5.466927383,5.518795453,11.03420746,0.999386923,6.135812367,8.353712919,6.853225765,29.2535102,7.208721053,7.726743467,13.03633463,12.98322932,9.488067996,5.697601512,7.613170869,5.244609578,10.79914421,4.763916433,6.32044971,4.00069825,5.087828559,5.570979814,2.919853054,1.445785464,2.271338053,7.56E-10,6.19E-41,9.78E-94,2.98E-168,1.75E-264,0,0,0,0,0.514936453,8.60744333,0.559017314,9.330658513,1.047871598,1.109794247,0.896408045,0.424467667,2.393404976,0.50208857,3.786100031,0.44845566,0.37212012,0.883531346,0.171011522,2.085056468,0.259159639,0.26171288,0.020652673,0.0271855,0.01599722,5.32E-12,4.36E-43,6.89E-96,2.10E-170,1.23E-266,0,0,0,0,1.662276955,8.134996171,1.330519252,11.87812874,1.478152339,1.78047667,2.347580553,1.726315131,2.898271075,1.030275963,4.536522153,1.061568136,1.495108586,1.36622597,0.788863298,2.329282971,0.943283985,0.940124848,0.214401443,0.149795736,0.166703362,5.55E-11,4.54E-42,7.18E-95,2.19E-169,1.29E-265,0,0,0,0,5.791706431,8.606781496,7.404671321,27.99124725,6.538894594,7.436526922,12.65298853,11.90026856,9.061895418,6.525617307,7.367996829,4.821554554,9.805135784,4.416915518,5.7185017,3.831492179,4.685556685,5.102560587,2.601552775,1.299876196,2.023721313,6.73E-10,5.52E-41,8.72E-94,2.66E-168,1.56E-264,0,0,0,0,2.449890277,7.955483289,1.728986927,13.99580572,2.019162982,2.357919063,3.475396428,2.961102345,3.467765873,1.212593859,5.060798068,1.591089398,2.564525901,1.789440449,1.402250387,2.540523825,1.502438439,1.526182068,0.465590167,0.283536589,0.362101979,1.20E-10,9.87E-42,1.56E-94,4.75E-169,2.79E-265,0,0,0,0,7.40988204,8.514191146,9.446356806,36.27598713,10.02108752,10.45508461,17.68027759,18.02320383,12.64811242,8.129925823,8.533297389,6.957958947,14.88335053,6.172972938,8.805212181,4.68615689,6.698369462,7.468133622,4.258258654,2.053084083,3.312533086,1.10E-09,9.03E-41,1.43E-93,4.35E-168,2.56E-264,0,0,0,0,3.882296066,7.991391111,5.737844934,20.0644939,3.347279321,4.700382925,7.66347083,5.676907002,6.043516376,5.660901636,5.305593617,2.699661426,4.830951946,2.463379003,2.777538483,2.813456792,2.66274826,2.958686229,1.051283836,0.60010007,0.817681699,2.72E-10,2.23E-41,3.52E-94,1.07E-168,6.31E-265,0,0,0,0,12.4441725,1.062078149,0.803779686,0.869611888,0.07421914,0.635645671,0.457412134,0.516963084,14.31003034,24.07273361,49.00606582,0.804417832,1.61002089,10.51922794,0.568251333,0.333179021,0.921070193,0.049756443,0.454039369,0.130941002,0.088088176,11.42065829,9.671680789,23.08393844,0.88160529,0.673068547,11.64321498,0.771830259,0.534495954,0.899121815,0.059602904,0.556317008,0.241567405,0.227742461,12.94954119,15.62237708,33.37521192,0.848682722,1.025626874,12.27544715,1.043690106,0.784201026,0.870393016,0.074003054,0.618518612,0.441710645,0.492040399,14.10333828,23.25664383,47.40697958,0.805589525,1.552269656,12.0568228,0.864212427,0.623681184,0.890149519,0.063804394,0.596582326,0.302855697,0.310538169,13.54471641,18.47826264,38.5215225,0.835224279,1.209976192,12.50268935,1.09646872,0.834859739,0.86619606,0.075964207,0.641660896,0.487514151,0.557857102,14.43401781,25.06219735,50.94114685,0.799294089,1.68703215,12.3870506,1.050733947,0.791597908,0.870526226,0.073842554,0.629829784,0.447692956,0.501449895,14.22938246,23.65281671,48.18523744,0.805789338,1.578972634 +UMLYSI0159,L,"2,3-dimethyl-2-butene",CC(=C(C)C)C,alkenes,C6H12,563-79-1,11250,PubChem,,62.4,0,2.6446,6.99390916,29.8868,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,1023.06255,867.626596,308.859264,36.578304,0,0,0,2914.106344,3494.423905,4290.94574,4447.7464,3313.186193,1119.0148,0,0,0,125.864664,123.114164,211.276248,200.985232,291.75552,241.864704,0,0,0,22.06875486,27.30703172,35.43128658,37.88066344,34.72809573,16.00606457,0,0,0,2979.777961,2471.442353,4817.248533,4182.118569,7003.458882,6657.035473,0,0,0,33.55555556,40.11111111,53.33333333,60,66,36,0,0,0,48.76541633,50.97680359,34.102085,30.98666414,7.353792,1.016064,0,0,0,161.8947969,205.5543474,143.0315247,158.8480857,78.88538554,31.08374443,0,0,0,6.992481333,7.242009647,7.0425416,7.178044,6.94656,6.718464,0,0,0,1.226041937,1.606295984,1.181042886,1.352880837,0.826859422,0.444612905,0,0,0,165.54322,145.3789619,160.5749511,149.3613775,166.749021,184.917652,0,0,0,1.864197531,2.359477124,1.777777778,2.142857143,1.571428571,1,0,0,0,0.028563285,0.004993622,0.001018674,-0.032089973,-0.015300317,0.027096351,0,0,0,484.264036,-53.80711511,161.4213453,-430.4569209,-403.5533633,484.264036,0,0,0,900.5096538,-100.0566282,300.1698846,-800.4530256,-750.4247115,900.5096538,0,0,0,0.094864,-0.010540444,0.031621333,-0.084323556,-0.079053333,0.094864,0,0,0,4.025697139,-0.447299682,1.341899046,-3.578397457,-3.354747616,4.025697139,0,0,0,21.86765075,-2.429738973,7.289216918,-19.43791178,-18.22304229,21.86765075,0,0,0,3.308641975,-1.322359396,1.769547325,-1.838134431,-3.423868313,3.160493827,0,0,0,0.001586849,2.94E-04,3.40E-05,-0.00114607,-3.64E-04,7.53E-04,0,0,0,26.90355756,-3.165124418,5.380711511,-15.37346146,-9.608413413,13.45177878,0,0,0,50.0283141,-5.885684011,10.00566282,-28.58760806,-17.86725503,25.01415705,0,0,0,0.005270222,-6.20E-04,0.001054044,-0.003011556,-0.001882222,0.002635111,0,0,0,0.223649841,-0.026311746,0.044729968,-0.127799909,-0.079874943,0.111824921,0,0,0,1.214869486,-0.142925822,0.242973897,-0.694211135,-0.433881959,0.607434743,0,0,0,0.183813443,-0.077785847,0.058984911,-0.065647658,-0.081520674,0.087791495,0,0,0,0.185110519,0.021398262,-0.722230264,-0.229570187,0.474321349,0,0,0,-0.117647059,0.2,-0.571428571,-0.357142857,0.5,0,0,0,-0.117647059,0.2,-0.571428571,-0.357142857,0.5,0,0,0,-0.117647059,0.2,-0.571428571,-0.357142857,0.5,0,0,0,-0.117647059,0.2,-0.571428571,-0.357142857,0.5,0,0,0,-0.117647059,0.2,-0.571428571,-0.357142857,0.5,0,0,0,-0.423178227,0.320895522,-0.357142857,-0.443496802,0.47761194,0,0,0,1.143370934,1.341487022,2.037953361,0.863223555,0,0,0,0,1.5,0.85,1.821428571,1.214285714,0,0,0,0,1.5,0.85,1.821428571,1.214285714,0,0,0,0,1.5,0.85,1.821428571,1.214285714,0,0,0,0,1.5,0.85,1.821428571,1.214285714,0,0,0,0,1.5,0.85,1.821428571,1.214285714,0,0,0,0,1.880597015,0.494776119,1.590351812,1.468017058,0,0,0,0,17.10468636,8.552343178,11.73848384,17.10468636,2.850781059,8.552804898,3.55E-15,2.22E-16,3.70E-17,-21.62619203,19.11354926,3.185591544,1.770238481,17.10468636,8.552343178,11.73848384,17.10468636,2.850781059,8.552804898,3.55E-15,2.22E-16,3.70E-17,-21.62619203,19.11354926,3.185591544,1.770238481,17.10468636,8.552343178,11.73848384,17.10468636,2.850781059,8.552804898,3.55E-15,2.22E-16,3.70E-17,-21.62619203,19.11354926,3.185591544,1.770238481,17.10468636,8.552343178,11.73848384,17.10468636,2.850781059,8.552804898,3.55E-15,2.22E-16,3.70E-17,-21.62619203,19.11354926,3.185591544,1.770238481,17.10468636,8.552343178,11.73848384,17.10468636,2.850781059,8.552804898,3.55E-15,2.22E-16,3.70E-17,-21.62619203,19.11354926,3.185591544,1.770238481,17.10468636,8.552343178,11.73848384,17.10468636,2.850781059,8.552804898,3.55E-15,2.22E-16,3.70E-17,-21.62619203,19.11354926,3.185591544,1.770238481,19.01928889,9.487422222,13.14343006,18.98965926,3.16494321,9.487587743,-0.044444444,3.89E-16,6.48E-17,-21.29042256,17.26440334,2.877400556,1.709188063,0,11.89,12.11007471,-0.171641681,0.050926005,5.93534507,7.704530162,5,17,16,16,4,1,1,0,0,1,13.118484,3.577678359,2.754514655,2.333552793,2.333552793,1.380180602,0.083923071,0.083923071,0.083923071,1.884441385,1.459722328,1.249629723,1.249629723,0.200363762,0.083923071,0.083923071,0.083923071,3.595476868,2.805077402,2.405454588,2.405454588,1.453787495,0.270913902,0.270913902,0.270913902,1.833962164,1.364136899,1.134540686,1.134540686,0.114414899,0.270913902,0.270913902,0.270913902,3.678680972,3.023972383,2.704236987,2.704236987,1.746119582,0.943918427,0.943918427,0.943918427,1.696272366,1.066668566,0.76031856,0.76031856,0.202004847,0.943918427,0.943918427,0.943918427,3.608851245,2.842205793,2.457539916,2.457539916,1.506439339,0.399277246,0.399277246,0.399277246,1.802748674,1.301799776,1.058262671,1.058262671,0.054393436,0.399277246,0.399277246,0.399277246,3.722170417,3.127406898,2.838982085,2.838982085,1.868921379,1.207644823,1.207644823,1.207644823,1.65682606,0.969233411,0.631337262,0.631337262,0.322850423,1.207644823,1.207644823,1.207644823,3.588132899,2.904174121,2.546278942,2.546278942,1.518899637,0.529411765,0.529411765,0.529411765,1.802208064,1.222230739,0.958043648,0.958043648,0.045591384,0.529411765,0.529411765,0.529411765,0,0,0,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0.666666667,0,0.333333333,0,0.5,0,0.25,0,1.333333333,0,0,1,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,5,2.25,2,1,0,0,0,0,0.833333333,0.45,0.333333333,0.25,0,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,24,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.851851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.161111111,0,0,0,0,0,0,0,0,0,0,8.481481481,0,0,0,0,0,0,0,0,2.851851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.425925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290277778,0,0,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,0,0,0,0,1.425925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.425925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290277778,0,0,0,0,0,0,0,0,0,0,2.12037037,0,0,0,0,0,0,0,0,1.425925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.33333333,1.888888889,0.290277778,2.12037037,0.069444444,1.425925926,3.261888889,0.240740741,0.12037037,0.962962963,0.240740741,0.12037037,0.962962963,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.66667,0.33333,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,5.21661,0.86944,6.13075,0.91413,0.15236,1.98885,0.33148,2.64272,0.65387,0.10898,0.27128,0.04521,0.27128,0.04521,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.224394445,1.224394445,1.224394445,0.872180556,0.389975,16.52932501,22.03910002,22.03910002,22.03910002,15.69925001,7.019550009,0.220218789,0.293625052,0.293625052,0.293625052,0.209159771,0.093520867,3.251629167,2.945530556,2.945530556,2.945530556,3.297744445,3.779950001,0.220218789,0.293625052,0.293625052,0.293625052,0.209159771,0.093520867,6.73287657,10.40605991,10.40605991,10.40605991,6.179493238,0.393026567,23.69925001,20.47920002,20.47920002,20.47920002,16.25263335,4.679700006,6,2.222222222,3,6,2,4,2.12,0.911,2.289428485,0,5.656854249,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.099,0.064,0.179,0.192,2.662,6,4,0,0,0,0,0,0,0,21,1.945910149,2.397895273,2.197224577,0,0,0,0,0,0,0,3.433987204,1.428571429,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.8,0,2,3,0.5,2,0.888888889,0,0,0,0,0,0,0,0,0.4,0.148148148,0,0,0,0,0,0,0,0,0.548148148,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,0,109.6959078,3.584962501,3.135494216,3.761200116,4.465908119,5.141663557,5.837730447,6.52649486,7.220373837,7.912423121,8.605753368,63.60704164,2.397895273,0,3.555348061,0,4.875197323,0,6.244166901,0,7.626082758,7.917536354,84.09390038,4.671883355,10.52364588,1.75394098,0,0,0,29,4,2.434,22,1.207392331,2.076061929,3.099010827,3.706316675,4.288007044,0,0,0,0,0,72.12641322,84.02972582,103.0793086,28.49141066,4.35688959,0,0,0,0,0,272.8984947,335.0622194,508.7470556,301.6960813,133.2873151,0,0,0,0,0,8.777793145,14.70847095,22.26739925,25.79063247,28.80882096,0,0,0,0,0,2.073519376,2.685580166,4.281981757,3.139145265,1.906503268,0,0,0,0,0,173.4222224,327.0359232,461.4677729,614.4815882,792.9281945,0,0,0,0,0,2.950636552,3.943333739,6.753942307,5.935646962,4.288007044,0,0,0,0,0,0.430110706,0.563975682,0.903745594,0.686282675,0.439091921,0,0,0,0,0,273.9594458,90.19276118,7.516063432,71.64002802,-23.58528621,-3.638457329,202.3194177,113.7780474,11.15452076,0.792707937,0.260974822,0.021747902,0.207292063,-0.068244566,-0.01052796,94.6802403,31.1705708,2.597547567,24.75875599,-8.151062504,-1.257448938,0.083333333,0.233834161,1.99835836,2.551757851,345.5994738,0,1,0,330.7679148,18.187026,6.915779296,451.0846313,21.23875305,7.669246148,516.7412589,22.73194358,8.024618222,1.1070891,1.063222609,269.6609046,166.9357444,115.5319234,1.615357487,2.334081323,1.444931752,3.598177127,3.239591358,5.351270731,0.651835105,4.960107942,4.101271936,1.758183247,10.05324696,3.378283859,6.286782609,2.6370337,5.690936778,3.845820312,0.296330615,1.07E-18,9.81E-58,1.76E-118,6.08E-201,4.06E-305,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.416270135,4.087647145,0.085462484,5.758305693,1.638274579,0.310963161,1.331191172,0.420644105,0.027100052,0.002087081,7.54E-21,6.91E-60,1.24E-120,4.28E-203,2.86E-307,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.343764303,4.088557685,0.316795958,6.277750322,1.954535784,1.146579157,1.538709801,1.395420895,0.282296457,0.021748991,7.86E-20,7.20E-59,1.29E-119,4.46E-202,2.98E-306,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.681937448,4.09977609,1.616829157,9.663932486,3.257996037,5.785038427,2.536207507,5.332561968,3.426566042,0.264025243,9.54E-19,8.74E-58,1.57E-118,5.42E-201,3.61E-305,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.980459972,4.089738154,0.508291439,6.740406048,2.183192901,1.834273194,1.698692559,2.094564277,0.6131521,0.047241714,1.71E-19,1.56E-58,2.80E-119,9.69E-202,6.47E-306,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.990048078,4.107561741,2.325780119,11.63819967,3.839285439,8.298829707,3.034059301,7.058407567,5.608723049,0.432170353,1.56E-18,1.43E-57,2.56E-118,8.87E-201,5.92E-305,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.780407158,3.802437968,0.670392295,7.334959354,2.642555141,2.69272016,2.056354196,2.982431317,1.077943946,0.083054602,3.00E-19,2.75E-58,4.93E-119,1.70E-201,1.14E-305,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.786196654,2.153591246,0.352981332,0.526415669,0.406893094,0.698226101,0.691713032,0.444440683,5.292769233,7.743981638,15.1547549,0.399963143,1.834379816,1.908817854,1.297581126,0.076097209,0.581514111,0.395303163,0.327750801,0.251146916,0.020656074,3.282496189,2.720844034,6.191821292,0.465225911,0.599553791,2.257283494,1.637561301,0.186066595,0.5531322,0.401273428,0.458321533,0.399973472,0.123494368,4.080911391,4.421140606,9.18983602,0.431608441,0.981789373,2.764475154,2.132398921,0.346126461,0.527269668,0.406713466,0.687383301,0.678168889,0.427346288,5.243000536,7.589901529,14.87330504,0.400974702,1.792898478,2.412609292,1.78910414,0.235084477,0.543772635,0.403242198,0.523557714,0.477415795,0.197132503,4.436797909,5.304166876,10.7556856,0.42052225,1.198106012,2.854200896,2.219938736,0.374442102,0.523842907,0.407434236,0.732720493,0.73498166,0.500126286,5.448581734,8.236122639,16.05722612,0.396915715,1.967828439,2.766449385,2.134029427,0.345777631,0.527318749,0.406771848,0.688365406,0.679206352,0.426485354,5.246256443,7.598160351,14.8857788,0.401135895,1.794057112 +UMLYSI0160,L,methyl cyclopentyl ether,COC1CCCC1,saturated ethers,C6H12O,5614-37-9,138539,PubChem,,62.3,0,-1.2542,1.57301764,22.3601,19.363516,0,0,19,7,12,0,6,0,1,0,0,0,0,0,0,0,1133.745495,1250.933639,1539.460704,1019.977148,493.412306,133.263648,12.192768,0,0,3130.497121,4099.882909,5757.460243,4802.092801,2913.045634,1520.371097,373.0049332,0,0,139.21638,143.181932,278.34216,337.1168,251.79284,151.797888,80.621568,0,0,22.71195886,29.98571172,44.70723986,42.00733324,27.29996024,16.47079796,5.335354858,0,0,3165.229247,2778.12901,5858.819323,7628.390958,6038.986685,3750.237301,2219.011824,0,0,39.02777778,41.75,71.25,78.83333333,56,29,12,0,0,59.67081553,65.83861258,41.60704605,22.17341626,14.09749446,6.057438545,1.016064,0,0,164.7630063,215.783311,155.6070336,104.3933218,83.22987525,69.10777713,31.08374443,0,0,7.327177895,7.535891158,7.522761081,7.328626087,7.194081143,6.899904,6.718464,0,0,1.195366256,1.578195354,1.20830378,0.913202897,0.779998864,0.748672634,0.444612905,0,0,166.591013,146.2173163,158.3464682,165.834586,172.5424767,170.4653319,184.917652,0,0,2.054093567,2.197368421,1.925675676,1.713768116,1.6,1.318181818,1,0,0,0.17425776,-0.032912391,-0.062189939,0.007823315,-0.023004127,0.006286656,0.016867606,0,0,605.7336044,26.87660126,-155.8097235,-288.8158183,-34.06132325,-69.19918933,218.1426509,0,0,916.6964704,-57.43271798,-159.1814099,-501.3254135,116.5784434,-183.838887,326.8517497,0,0,1.062550737,0.044922105,-0.307502593,-0.239646626,-0.239553252,0.079395989,0.131109008,0,0,4.063287563,-0.589622532,-0.469423799,-2.250984255,0.960572831,-0.941263339,1.259077313,0,0,22.47243353,-3.774319208,-2.255651425,-12.33449313,5.883815553,-5.279417207,6.523848651,0,0,6.570175439,0.578947368,-1.908587258,-1.16989843,-1.841258849,-0.075407818,1.131117267,0,0,0.009171461,-0.001732231,-0.001680809,1.70E-04,-6.57E-04,2.86E-04,0.001405634,0,0,31.88071602,1.414557961,-4.211073608,-6.278604745,-0.973180664,-3.145417697,18.17855424,0,0,48.24718265,-3.022774631,-4.302200268,-10.89837855,3.330812669,-8.356313043,27.23764581,0,0,0.055923723,0.002364321,-0.008310881,-0.005209709,-0.006844379,0.003608909,0.010925751,0,0,0.21385724,-0.031032765,-0.01268713,-0.04893444,0.027444938,-0.042784697,0.104923109,0,0,1.18275966,-0.198648379,-0.060963552,-0.268141155,0.168109016,-0.239973509,0.543654054,0,0,0.345798707,0.030470914,-0.051583439,-0.025432575,-0.052607396,-0.003427628,0.094259772,0,0,-0.188871883,-0.183265146,0.018543617,-0.071663693,0.031157205,0.153261714,0,0,0.044370332,-0.132088426,-0.196940519,-0.030525684,-0.098662078,0.570205331,0,0,-0.062651837,-0.089169979,-0.22588632,0.069036418,-0.173197948,0.564543758,0,0,0.04227761,-0.148611009,-0.093157411,-0.12238775,0.064532696,0.195368801,0,0,-0.145109723,-0.059325229,-0.228818254,0.128332985,-0.200061954,0.490622199,0,0,-0.167953293,-0.051543483,-0.226708066,0.142132862,-0.202892876,0.459648797,0,0,0.08811749,-0.149171869,-0.073547338,-0.152133003,-0.009912206,0.27258567,0,0,1.137859597,1.552443196,1.09979563,1.064486986,0.166980977,0.03492037,0,0,1.160958813,1.248843117,1.160921705,0.895548028,0.817636719,0,0,0,1.43156131,1.182118376,1.143031738,0.725137002,1.004668188,0,0,0,0.861961564,1.507965587,1.230396571,1.149170644,0.091308581,0,0,0,1.583569344,1.179051126,1.14220936,0.641537515,1.013265783,0,0,0,1.617158618,1.185494994,1.143937064,0.625574034,0.995203425,0,0,0,0.873164219,1.386280807,1.154757067,1.213274843,0.342456609,0,0,0,22.60063903,11.42531951,17.12488541,22.77921045,3.254172922,11.42535575,0.25,0.021614538,0.003087791,-2.684072389,30.6537432,4.379106172,2.395928348,22.6084634,11.42886449,17.13055115,22.78651024,3.255215749,11.42890059,0.249265579,0.021942112,0.003134587,-2.673543287,30.65712487,4.379589267,2.396005566,29.68143312,14.64121932,22.61591384,29.39643707,4.199491009,14.64122056,-0.398994478,0.248892996,0.035556142,-0.973512547,43.61524406,6.230749152,2.642784707,22.61667575,11.43258527,17.13649912,22.79417204,3.256310291,11.43262123,0.2484948,0.02228576,0.00318368,-2.662665147,30.66073225,4.380104607,2.396087929,37.34388756,18.13079665,28.96918336,36.57082022,5.224402889,18.13079668,-1.082294264,0.379183998,0.054169143,-0.678813596,26.43808895,3.776869851,2.292364014,23.42256909,11.79785164,17.72638287,23.54623637,3.363748053,11.79787593,0.173134186,0.055139079,0.007877011,-2.028527607,31.31035603,4.472908004,2.410764234,22.06399524,11.12222646,16.78400731,22.26240794,3.180343992,11.12228215,0.462962963,0.123504965,0.017643566,-1.464031744,30.91320117,4.416171596,2.401828321,0,11.9,15.99491614,-0.380643746,0.062620335,4.605996791,7.290257643,7,19,19,19,7,0,0,0,0,0,15.034484,3.630153092,2.929105813,2.459820995,2.33392851,1.339831126,1.19006016,0.609828573,0.083923071,1.724171079,1.705975535,1.3746601,0.757863935,0.672830169,0.421660054,0.083923071,0.083923071,3.624033324,2.839024126,2.510897621,2.388975008,1.315890779,1.30885592,0.467434621,0.270913902,1.6927742,1.655976007,1.303527982,0.62194973,0.553716502,0.286884461,0.270913902,0.270913902,3.753155433,3.123055884,2.734801489,2.626525992,1.782811922,1.778468089,1.106325192,0.943918427,1.478812281,1.452583651,0.962942285,0.172849073,0.105711813,0.261928447,0.943918427,0.943918427,3.634720799,2.833732511,2.548571849,2.42916832,1.39352899,1.361352463,0.434281941,0.399277246,1.685227808,1.612285733,1.255876035,0.531260614,0.477841492,0.196962196,0.399277246,0.399277246,3.797359237,3.184145567,2.841861735,2.73716236,1.978039144,1.938339158,1.208391018,1.207644823,1.437822306,1.38842831,0.870556907,0.016182923,0.033781626,0.449165613,1.207644823,1.207644823,3.786852445,3.328306409,2.602772128,2.523091163,1.844317282,1.550284617,1.155778095,0.642857143,1.561175749,1.55326361,0.932378368,0.377595282,0.29525776,0.035411486,0.642857143,0.642857143,0,0,0,0,0,0,5,0,0,0,0,0.144337567,0.102062073,0.102062073,0,0,0.144337567,0.058925565,0.058925565,0.204124145,0,0,0,0.11785113,0,0,0,0.49279928,0.594861352,0.204124145,0.284517797,0.343443362,0.11785113,5.112884175,3.431851653,2.558730745,2.052095141,1.418611262,0.49279928,0.204124145,0,0.730412025,0.490264522,0.319841343,0.228010571,0.157623474,0.12319982,0.102062073,0,4.814025684,2.960447132,2.142167779,1.635532175,1.124056764,0.284517797,0.11785113,0,0.687717955,0.422921019,0.267770972,0.181725797,0.124895196,0.071129449,0.058925565,0,9.965765927,18.6576839,17.70196078,17.96,11.27156647,146.3240515,0.524513996,0.981983363,0.931682147,0.945263158,0.59324034,7.701265868,1.5754,29.265,22.87726984,33.16178179,45.75453968,6.536362811,22.87726984,0.106509552,0.01521565,-1.567664427,23.73191568,3.390273668,2.216774557,44,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,1,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.597222222,0,0,0,0,0,0,0,0,0,0,0,1.801574074,0,5.323425926,0,0,0,0.597222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.801574074,0,1.288194444,0,0,0,0.597222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.801574074,0,1.373518519,0,0,0,0.597222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.83333333,1.833333333,0.45,5.111111111,0.152777778,0.597222222,3.597990741,0.736111111,1.611111111,3.222222222,0.736111111,1.611111111,3.222222222,3.33333,0.47619,0,0.02381,0.48772,0.80952,0.43333,0.48772,0.80952,0.05439,0,-0.05439,0,0.58823,0.12606,0,0.15,0.15,0,4,0.57143,4,0.57143,0,0,-4,-0.57143,0,0,5.4681,0.78116,6.53706,1.06895,0.15271,2.8928,0.41326,3.43185,0.53905,0.07701,-0.01785,-0.00255,0.06815,0.00974,0.263157895,7.01,1,1,1,1,0,0,1,1.167436723,1.562688039,2.523986066,2.945038698,2.945038698,2.945038698,22.18129774,29.69107275,47.95573525,55.95573525,55.95573525,55.95573525,0.27482501,0.367870693,0.594168817,0.69328836,0.69328836,0.69328836,3.08049079,2.685239474,1.723941447,1.302888816,1.302888816,1.302888816,0.27482501,0.367870693,0.594168817,0.69328836,0.69328836,0.69328836,10.29981851,15.0428343,18.32579661,18.75014399,18.75014399,18.75014399,25.71846446,20.85402913,18.36531813,17.947756,17.947756,17.947756,5.142857143,2.34375,1.185185185,2,0,0,2.01,0.9041,0,1.154700538,0.5,0,4.242640687,2.828427125,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.3,0.31,0.423,0.247,3.256,8,9,9,4,2,0,0,0,0,46,2.079441542,2.197224577,2.302585093,2.302585093,1.609437912,1.098612289,0,0,0,0,3.850147602,1,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,2,0.285714286,0,2,4,1,1,0.444444444,0.222222222,0.125,0,0,0,0,0,0,0.142857143,0.055555556,0.055555556,0.0625,0,0,0,0,0,0,0.316468254,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,9.23,108.7661345,3.807354922,3.433987204,4.17438727,4.934473933,5.693732139,6.459904454,7.22329568,7.990576882,8.755107122,9.522446728,72.18791141,2.708050201,0,3.850147602,2.397895273,5.176149733,4.442651256,6.577861358,6.259581464,8.017966703,8.436416881,100.088815,5.267832369,13.58523637,1.940748052,2.740355072,2.740355072,0,43,4,1.279,30,1.354604085,2.407556418,3.26139922,4.003410324,4.856423048,5.913665131,0,0,0,0,109.5903411,111.8082688,82.16787689,66.81806206,32.76164604,6.008662247,0,0,0,0,338.8157587,406.0351346,358.4243495,362.6482595,360.8395878,183.8188556,0,0,0,0,10.2851172,18.14016018,23.99529344,29.07318951,33.62920982,39.73074629,0,0,0,0,2.386243919,3.105310616,3.06464798,3.282399054,3.837567013,2.629291832,0,0,0,0,194.1815551,375.0009635,538.0447986,686.9235228,818.2649174,1093.541071,0,0,0,0,3.079612051,4.711075744,5.738296163,6.728820366,6.618542697,5.913665131,0,0,0,0,0.523089008,0.702215826,0.719551523,0.757538511,0.842534013,0.605559309,0,0,0,0,290.7214461,155.6436714,10.56653138,59.72925216,-31.97727661,-8.681917658,230.9921939,187.620948,19.24844904,0.829564465,0.444124301,0.030151264,0.170435535,-0.091246149,-0.024773578,101.8835338,54.54543333,3.703048302,20.93215813,-11.20645892,-3.042584105,0.111967511,0.710963512,1.186459376,12.59390372,332.7368444,17.71385381,0.949454078,0.050545922,411.538791,20.28641888,7.438241235,527.783224,22.97353312,8.081373774,642.4761531,25.34711331,8.628838437,1.468623676,1.248681511,428.3149188,372.2792948,102.6860333,1.150520388,4.171111736,3.625413142,3.992862624,4.183011763,7.376069934,0.763339515,3.346806833,2.364060148,4.093808879,8.091676861,11.07240931,7.461263525,5.120840995,8.351496995,3.370851606,2.943656567,0.64010436,2.445003116,0.249601576,0.216010603,1.24E-17,1.38E-55,2.95E-115,1.22E-196,9.72E-300,0,0,0,0,0,0,0,0,0,0,0,0.280874545,2.615333315,0.993539128,2.679467554,1.826092601,1.254683875,0.281828358,2.032204611,0.205472153,0.176916839,0.030622455,0.090703798,0.001758395,0.00152138,8.73E-20,9.70E-58,2.08E-117,8.59E-199,6.85E-302,0,0,0,0,0,0,0,0,0,0,0,0.906696583,2.14304996,1.324532011,3.416324427,2.459258808,2.019988428,0.814153441,2.452100707,0.67823877,0.514591429,0.113668806,0.368242566,0.018320449,0.015853956,9.10E-19,1.01E-56,2.17E-116,8.95E-198,7.14E-301,0,0,0,0,0,0,0,0,0,0,0,3.159112715,2.616858803,4.701702209,8.009603461,10.5798123,6.916994417,4.698640251,8.276654257,3.19947221,2.890116648,0.58815985,2.229051463,0.222390807,0.192461558,1.10E-17,1.23E-55,2.63E-115,1.09E-196,8.66E-300,0,0,0,0,0,0,0,0,0,0,0,1.336303829,1.963749817,1.412050245,3.97100401,3.276397817,2.691990984,1.305962565,2.928852211,1.033021874,0.764080927,0.182958726,0.619046233,0.039793405,0.034436911,1.98E-18,2.20E-56,4.71E-116,1.94E-197,1.55E-300,0,0,0,0,0,0,0,0,0,0,0,4.041753946,2.525673455,5.546023947,9.863045479,14.7274007,9.724630368,7.005822843,10.9868589,4.406598446,4.009940546,0.849045592,3.326124661,0.364019036,0.315031163,1.81E-17,2.01E-55,4.30E-115,1.78E-196,1.42E-299,0,0,0,0,0,0,0,0,0,0,0,2.228358966,3.238321483,4.802262791,6.197409498,7.27216863,4.135774024,2.601269585,7.004926969,2.093491153,2.042275351,0.403132248,1.228285293,0.103153985,0.089269688,5.12E-18,5.69E-56,1.22E-115,5.04E-197,4.02E-300,0,0,0,0,0,0,0,0,0,0,0,4.44583953,1.361339032,0.63038385,0.690609154,0.211468091,0.47438165,0.362965188,0.434302053,6.437562412,9.713046462,19.96587782,0.535913731,1.271648891,3.499357263,0.80194459,0.246813115,0.769408269,0.176324608,0.297025494,0.124037308,0.05599613,4.548114967,3.867908333,9.108652632,0.654112403,0.477058932,3.87471741,1.053084689,0.387070752,0.729032946,0.198139206,0.360631587,0.215682173,0.156673946,5.314872851,5.987813643,12.88209215,0.593549418,0.732987706,4.398462876,1.326380048,0.620103127,0.693223054,0.209045126,0.464374666,0.343456062,0.414332604,6.344946051,9.384026398,19.3466748,0.53983458,1.222163332,4.060942454,1.166202187,0.454703526,0.7147221,0.205250502,0.39583403,0.265914521,0.223598356,5.681848167,7.112681072,14.94795056,0.57208315,0.885346908,4.513201906,1.394787652,0.661880292,0.686954538,0.212300652,0.488859423,0.381067432,0.479184751,6.56986985,10.20534014,20.94171883,0.530431807,1.349111605,4.428870911,1.339055044,0.622265383,0.693073286,0.209548505,0.470779963,0.350579931,0.420024811,6.390191337,9.519682584,19.60021998,0.53960993,1.241384705 +UMLYSI0161,L,"3,5,5-trimethylhexanal",CC(CC=O)CC(C)(C)C,saturated aldehyde,C9H18O,5435-64-3,21574,PubChem,,62.3,0,1.8532,3.43435024,43.2598,28.644274,0,0,28,10,18,0,9,0,1,0,0,0,0,0,0,0,1572.634242,1564.204541,2099.99132,1848.765796,1763.869897,1131.4572,767.499903,154.287504,0,4587.550292,5756.123811,8232.280267,9447.959594,8332.961895,6319.565739,3683.796402,1017.876376,0,202.148712,198.475388,367.332392,498.107608,669.690484,416.069256,417.844116,145.706688,0,33.74633629,43.69433758,65.50165209,81.60990762,77.02681153,56.46496714,37.38813244,8.814428018,0,4655.118227,3923.904036,7997.053796,10731.65863,16519.267,9254.661531,10618.7949,3330.917358,0,94.84027778,66.375,98.66666667,140.7916667,154.75,132.5,111,72,0,56.16550864,57.93350152,41.17630039,26.79370719,18.37364476,19.85012632,12.79166505,8.571528,0,163.8410819,213.1897708,161.4172601,136.9269506,86.8016864,110.8695744,61.3966067,56.54868753,0,7.219596857,7.350940296,7.202595922,7.218950841,6.975942542,7.299460632,6.9640686,8.094816,0,1.205226296,1.618308799,1.284346119,1.182752284,0.80236262,0.990613459,0.623135541,0.489690445,0,166.2542224,145.3297791,156.8049764,155.5312845,172.0756979,162.362483,176.979915,185.0509644,0,3.387152778,2.458333333,1.934640523,2.040458937,1.611979167,2.324561404,1.85,4,0,0.147916744,-0.031195778,-0.017906957,-0.060318304,0.056405382,-0.069548409,0.090794755,-0.042189062,0,850.0347219,-48.03777086,114.4181875,-938.9085231,793.8701726,-729.9669698,634.5355649,-250.9280221,0,1367.240348,-97.12506318,240.434188,-1620.519174,1163.82208,-1126.109294,701.9757642,53.90132509,0,1.127262857,-0.004431755,-0.004250776,-0.296728327,0.409801061,-0.438728816,0.468761878,-0.698054694,0,6.076807391,-0.456866205,1.148922866,-6.902990474,4.333270356,-4.466745626,1.776153953,1.529851435,0,33.4170586,-2.519512673,6.359394293,-36.94621119,22.11933186,-23.40089626,7.399021022,10.28034365,0,36.01860119,-0.586637259,2.164779974,-11.26210849,12.91539116,-15.89575361,15.28752126,-20.63249362,0,0.005282741,-0.001155399,-3.51E-04,-8.74E-04,5.88E-04,-0.001220148,0.001513246,-0.002343837,0,30.35838292,-1.779176699,2.243493872,-13.6073699,8.269480964,-12.80643807,10.57559275,-13.94044567,0,48.83001241,-3.597224562,4.714395843,-23.48578512,12.12314667,-19.75630341,11.69959607,2.994518061,0,0.040259388,-1.64E-04,-8.33E-05,-0.004300411,0.004268761,-0.007696997,0.007812698,-0.038780816,0,0.217028835,-0.016920971,0.022527899,-0.10004334,0.045138233,-0.078363958,0.029602566,0.084991746,0,1.193466379,-0.093315284,0.124694006,-0.535452336,0.230409707,-0.41054204,0.123317017,0.571130203,0,1.286378614,-0.021727306,0.042446666,-0.163218964,0.134535325,-0.27887287,0.254792021,-1.146249646,0,-0.218712066,-0.066464892,-0.165478175,0.111221821,-0.23096865,0.286450908,-0.443678165,0,-0.05860578,0.073900309,-0.448224464,0.272395305,-0.421841904,0.348358237,-0.459195923,0,-0.073668311,0.096547095,-0.480970288,0.248272447,-0.404593455,0.239598466,0.061325359,0,-0.004077039,-0.002070288,-0.106817584,0.106031445,-0.191185142,0.194059036,-0.963273872,0,-0.077966462,0.103801411,-0.460967963,0.207982653,-0.361076252,0.136399229,0.391614996,0,-0.078188448,0.104480535,-0.448653054,0.193059236,-0.34399129,0.103326762,0.478547375,0,-0.016890288,0.032997024,-0.126882523,0.104584547,-0.216789107,0.19806923,-0.891067088,0,1.006913689,0.723818239,0.903898542,0.431849888,1.507897189,0.521995331,5.155675105,0,1.291178025,0.979751188,1.500398628,0.523123911,1.464404257,0.397176154,1.784548334,0,1.494522204,1.068889581,1.639599526,0.571390745,1.404176042,0.461584441,0.41197512,0,0.555040021,0.592101266,0.740415403,0.41740492,1.527459834,0.55048953,6.753479858,0,1.552547244,1.085772296,1.645603813,0.594251716,1.366581898,0.530855524,0.020306106,0,1.555544051,1.083356048,1.632951787,0.59892611,1.356794782,0.553997867,7.77E-05,0,0.577633636,0.53771236,0.761796899,0.402623996,1.574022229,0.54346919,6.746514078,0,51.43817997,25.84408999,39.1582487,51.63817997,5.163817997,25.84408999,0.25,0.041105562,0.004110556,-3.191611838,42.06713024,4.206713024,3.739266681,51.44023675,25.84475117,39.15922266,51.63964922,5.163964922,25.84475117,0.249265579,0.041142179,0.004114218,-3.190721421,42.06875469,4.206875469,3.739305296,53.26916322,26.43508437,40.05195769,52.94996764,5.294996764,26.43508437,-0.398994478,0.075186681,0.007518668,-2.587781182,43.95149567,4.395149567,3.783086655,51.44239539,25.8454451,39.16024493,51.64119123,5.164119123,25.8454451,0.2484948,0.041180614,0.004118061,-3.189787662,42.07046061,4.207046061,3.739345846,55.22277475,27.07024025,41.07015528,54.35693934,5.435693934,27.07024025,-1.082294264,0.114785915,0.011478591,-2.164686498,47.34656737,4.734656737,3.857494322,51.65364325,25.91338872,39.26063003,51.7921506,5.17921506,25.91338872,0.173134186,0.044961701,0.00449617,-3.101944248,42.24253646,4.224253646,3.743427686,68.62149627,34.18647076,53.28016816,68.88039839,6.888039839,34.18647076,0.431503527,0.014959031,0.001495903,-4.202440063,39.65007252,3.965007252,3.680092777,0,11.89,15.99491689,-0.302861015,0.120026268,3.670981535,9.0799602,9,27,26,26,8,1,1,0,0,1,20.635726,3.622892711,3.33788917,2.917966929,2.333552793,2.333552793,2.213901783,1.952910586,1.014372012,1.957991784,1.718609006,1.348043347,1.249629723,1.249629723,1.090014432,0.70023876,0.366999597,3.636288686,3.317907601,2.850594945,2.405454588,2.405454588,2.275891105,1.911098563,1.114621086,1.9092112,1.668389518,1.319351055,1.134540686,1.134540686,0.98459927,0.654841493,0.210929413,3.741679421,3.470523148,3.084188418,2.704236987,2.704236987,2.569110158,2.268433719,1.587880819,1.755238214,1.463145667,1.028144298,0.76031856,0.76031856,0.61636664,0.22438013,0.333047038,3.650986508,3.328501738,2.846520117,2.457539916,2.457539916,2.323965156,1.92224593,1.194537401,1.87917699,1.640352515,1.302795326,1.058262671,1.058262671,0.913887376,0.616252586,0.105523276,3.788759607,3.520291016,3.136020691,2.838982085,2.838982085,2.697643962,2.370879379,1.78795075,1.710564532,1.410894975,0.971242882,0.631337262,0.631337262,0.49308399,0.122067975,0.528946714,4.788231337,3.590370699,3.233834106,2.62226806,2.62226806,2.519632659,2.310824561,1.403346035,1.897278184,1.555235099,1.018962345,0.889647739,0.889647739,0.802977594,0.235467099,0.020090852,0,0,1,0,0,4,2,1,1,0,0,0,0,0,0,0,0,0,0,1.849335306,0.353553391,0,0,1.849335306,0.353553391,0,0,0.960834148,1.988708203,1.495908923,0.92337667,1.8338967,1.315495105,8.198670613,4.454507022,4.658631167,1.742308563,1.64024649,0.40824829,0.306186218,0,0.819867061,0.494945225,0.388219264,0.21778857,0.18224961,0.102062073,0.102062073,0,7.477162391,3.891350792,4.27232496,1.45942812,1.292984898,0.284020691,0.102062073,0,0.747716239,0.43237231,0.35602708,0.182428515,0.143664989,0.071005173,0.034020691,0,14.59124934,27.32119446,25.87843137,26.24,16.66722994,215.4088168,0.521116048,0.975756945,0.924229692,0.937142857,0.595258212,7.693172027,2.6477,43.917,27.1626537,40.85562788,54.32530741,5.432530741,27.1626537,0.113475394,0.011347539,-2.17616926,44.95990594,4.495990594,3.805771113,83,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,7,1,0,1,0,0,0,0,0,0,0,0,4,0,2,0,1,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.10112245,1.010324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.547638889,0,0,1.935905612,0.401388889,0,0.547638889,0,0,0,0,0,0,0,0,8.732696995,0,1.836319444,0,1.010324074,0,0.539351852,0,0,0,0,0,0.363518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.10112245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.10112245,1.010324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.547638889,0,0,0.232454649,0.401388889,0,0.547638889,0,0,0,0,0,0,0,0,2.124652778,0,0.705625,0,1.010324074,0,0.539351852,0,0,0,0,0,0.363518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.10112245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.10112245,1.010324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.547638889,0,0,0.401388889,0.401388889,0,0.547638889,0,0,0,0,0,0,0,0,2.202681406,0,1.130694444,0,1.010324074,0,0.539351852,0,0,0,0,0,0.363518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.10112245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.58333333,2.258333333,0.571733277,10.10112245,0.044722222,0.363518519,5.258808389,0.989675926,3.101122449,7.667638889,0.989675926,3.101122449,7.667638889,4.83333,0.48333,0,0.01667,0.47024,0.77667,0.425,0.47024,0.77667,0.04524,0,-0.04524,0,0.62232,0.09197,0,0.48276,0.10345,0.10345,6.25,0.625,4.75,0.475,1.5,0.15,-3.25,-0.325,0,0,10.79757,1.07976,12.95072,2.15315,0.21532,3.71303,0.3713,4.4545,0.74147,0.07415,0.4595,0.04595,0.4595,0.04595,0,9.01,1,1,1,1,0,0,0.888888889,1.107784385,2.039966768,2.958267868,3.234529921,3.305958493,2.891147427,31.01796278,57.11906952,82.83150031,90.5668378,92.5668378,80.95212796,0.230435323,0.424342867,0.6153629,0.67282944,0.687687626,0.601400869,3.699570537,2.767388154,1.849087054,1.572825001,1.501396429,1.916207495,0.230435323,0.424342867,0.6153629,0.67282944,0.687687626,0.601400869,9.474970853,18.47380233,20.67324789,20.16651635,21.0236592,16.04592641,37.17060982,23.75149021,21.48681661,22.17599896,20.97284685,20.115704,10,4,7,10,1,6,2.34,1.3924,2.121320344,3.879131282,1.754765351,3.039342743,1.650963624,2.381101578,1.310370697,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.492,0.482,0.504,0.135,4.268,12,8,9,4,3,0,0,0,0,55,2.397895273,2.63905733,2.302585093,2.48490665,1.791759469,1.945910149,0,0,0,0,4.17438727,1.163636364,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.444444444,8,0.888888889,0,3,6,1,4,0.888888889,0.875,0.24,0.166666667,0,0,0,0,0,0.444444444,0.074074074,0.109375,0.026666667,0.041666667,0,0,0,0,0,0.696226852,27.1626537,40.85562788,54.32530741,5.432530741,27.1626537,0.113475394,0.011347539,-2.17616926,44.95990594,4.495990594,3.805771113,17.07,170.3740883,4.321928095,3.761200116,4.418840608,5.272999559,5.948034989,6.812345094,7.492760301,8.360071436,9.042513261,9.910909938,80.0196753,2.944438979,0,4.204692619,0,5.602118821,0,7.065613364,0,8.563885919,8.820699399,142.1357652,5.076277328,18.26059821,1.826059821,2.399339971,2.399339971,0,131,8,3.916,42,1.237481481,2.140958785,2.954445602,3.468043433,4.214151485,4.785266588,6.273696816,0,0,0,82.60673527,99.73503084,85.66948103,74.56952925,100.4136389,81.11126152,58.37853576,0,0,0,289.5752335,376.6212541,418.9866642,326.62248,505.9952894,334.3089233,370.2845163,0,0,0,9.129024114,15.49293123,21.36333599,24.31493622,31.01676967,33.70733319,51.62300051,0,0,0,2.143243794,2.934037389,3.572117702,2.922880982,4.378398923,3.186164175,3.099634081,0,0,0,177.6290065,330.9315609,457.7515291,592.8681828,678.7040063,838.2115208,1161.03487,0,0,0,3.072979938,4.325956892,6.114723219,5.908714477,10.39805781,10.2503865,26.92261723,0,0,0,0.453097222,0.627432281,0.776472243,0.653734971,0.994542821,0.772198418,0.994834796,0,0,0,305.7552105,203.5166128,11.50285605,93.68725076,-62.36005564,-18.39275739,212.0679597,265.8766684,29.89561344,0.765454953,0.509501699,0.028797279,0.234545047,-0.156117743,-0.046046075,122.1316138,81.29317672,4.594729133,37.42266603,-24.90925411,-7.346848281,0.180204582,0.454960689,4.409074662,23.86635908,346.9843925,52.45806869,0.868671777,0.131328223,629.3830178,25.0875072,8.569819474,803.7496672,28.35047914,9.297658744,1155.423647,33.99152317,10.49334014,1.930323466,1.930323466,874.3603842,838.6592132,167.5737298,1.042569342,5.217765249,5.004717708,4.688297916,4.466158665,7.960230279,0.782343816,5.033433429,7.675108853,3.930058103,32.54128759,7.357148925,17.13275302,10.33227471,15.705994,13.01768187,4.522511571,4.70897083,2.530803235,1.72267969,0.080526281,1.707421114,4.44E-13,2.23E-47,2.16E-103,4.03E-181,1.45E-280,0,0,0,0,0,0,0,0,0,0,0.438914305,7.635155481,0.278364034,12.94044035,1.759579717,2.257111425,1.849700106,0.735130164,2.635250412,0.211354786,0.739706044,0.28428394,0.047314554,0.070503446,0.190869126,4.97E-14,2.49E-48,2.42E-104,4.51E-182,1.62E-281,0,0,0,0,0,0,0,0,0,0,1.369491384,7.643150926,0.787016616,15.44857596,2.156758982,4.147737344,2.318213523,2.604271016,3.973108025,0.610818208,0.716479733,0.433072105,0.204576212,0.04186041,0.330640416,8.61E-14,4.32E-48,4.18E-104,7.81E-182,2.81E-281,0,0,0,0,0,0,0,0,0,0,4.756260958,7.672706391,3.960517803,30.95480537,6.751454767,16.1266768,9.895680429,14.44466847,13.07260451,4.511711943,4.434314596,2.759922603,1.583069211,0.104905219,2.144584299,5.58E-13,2.80E-47,2.71E-103,5.07E-181,1.83E-280,0,0,0,0,0,0,0,0,0,0,2.010803332,7.648692176,1.120845777,17.6201073,2.650562475,5.760922905,3.034551102,4.220726449,4.893767467,0.920439088,0.961560562,0.52032694,0.360205541,0.029981086,0.327395801,8.52E-14,4.28E-48,4.14E-104,7.74E-182,2.79E-281,0,0,0,0,0,0,0,0,0,0,6.078624947,7.684308687,5.249923186,39.35910935,9.90188205,22.27142128,13.76721555,21.14981932,16.87879573,6.431101122,6.693174249,3.621973532,2.425844045,0.104952464,2.493703614,6.49E-13,3.26E-47,3.16E-103,5.89E-181,2.12E-280,0,0,0,0,0,0,0,0,0,0,3.162646803,6.097548864,3.513521461,22.4191409,3.522072956,11.31973774,8.672196624,7.624922475,12.61319194,4.140744777,2.97892406,3.795465206,0.853834294,0.305698324,3.986602967,1.04E-12,5.21E-47,5.04E-103,9.42E-181,3.39E-280,0,0,0,0,0,0,0,0,0,0,4.490542034,1.34563966,1.017840954,0.655168835,0.196328453,0.457452075,0.532004854,0.439409421,6.854022648,11.9829562,24.98743697,0.482753253,1.428866349,5.747224789,0.720985391,0.463846512,0.829079311,0.104007428,0.751057453,0.153956054,0.090321186,6.932056692,7.143921843,15.99800314,0.743618967,0.995334693,4.651632537,0.990809529,0.698482323,0.733589025,0.156256323,0.49068471,0.291206019,0.205901454,6.340924388,8.550027882,18.11017476,0.600383537,0.987792184,4.716803075,1.317549182,0.991718136,0.671328753,0.187522912,0.50445308,0.51185964,0.416029615,7.026070393,12.19899661,25.38821839,0.506993129,1.432342334,4.314219505,1.109185381,0.804835839,0.692686698,0.178089677,0.422082453,0.363460566,0.274387592,6.228240725,9.150219829,19.22981671,0.539030048,1.05993061,4.538233987,1.387273315,1.055290092,0.650102521,0.198727056,0.467244995,0.564997658,0.472376811,6.980797394,12.54890006,26.17356211,0.475153782,1.504619463,4.75600888,1.318592243,0.992727674,0.67295707,0.18657576,0.512838709,0.512903723,0.416666824,7.067328797,12.30166106,25.5946198,0.509435605,1.442409256 +UMLYSI0162,L,cyclohexene,C1CCC=CC1,aliphatic,C6H10,110-83-8,8079,PubChem,,62.2,0,0.403,0.162409,25.0454,17.22793,0,0,16,6,10,0,6,0,0,0,0,0,0,0,0,0,875.745366,986.655606,1111.790742,692.207211,137.327904,8.128512,0,0,0,2851.938855,3688.467574,4960.168716,4093.706688,1644.706075,248.6699554,0,0,0,112.427736,116.419416,214.469592,279.188076,178.671744,53.747712,0,0,0,21.17952905,27.8688431,40.78273782,38.19600558,18.24924958,3.556903239,0,0,0,2609.942657,2291.991614,4562.887699,6586.434107,4489.90791,1479.341216,0,0,0,27,32.75,53.5,59.25,33,8,0,0,0,54.73408538,61.66597537,37.0596914,17.30518028,5.281842462,1.016064,0,0,0,178.2461784,230.5292234,165.3389572,102.3426672,63.25792595,31.08374443,0,0,0,7.0267335,7.2762135,7.1489864,6.9797019,6.871990154,6.718464,0,0,0,1.323720566,1.741802694,1.359424594,0.95490014,0.701894215,0.444612905,0,0,0,163.121416,143.2494759,152.0962566,164.6608527,172.6887658,184.917652,0,0,0,1.6875,2.046875,1.783333333,1.48125,1.269230769,1,0,0,0,0.035879452,1.34E-04,-0.01831324,-0.010018029,3.74E-04,0.009884073,0,0,0,453.9975338,3.84E-13,-215.6488285,-136.1992601,-11.34993834,136.1992601,0,0,0,844.2278004,1.28E-13,-401.0082052,-253.2683401,-21.10569501,253.2683401,0,0,0,0.088935,1.38E-15,-0.042244125,-0.0266805,-0.002223375,0.0266805,0,0,0,3.774091068,1.28E-15,-1.792693257,-1.13222732,-0.094352277,1.13222732,0,0,0,20.50092258,5.02E-14,-9.737938226,-6.150276775,-0.512523065,6.150276775,0,0,0,2,0.25,-0.875,-0.75,-0.125,0.5,0,0,0,0.002242466,8.37E-06,-6.10E-04,-2.50E-04,1.44E-05,0.001235509,0,0,0,28.37484586,2.40E-14,-7.188294284,-3.404981503,-0.43653609,17.02490752,0,0,0,52.76423752,7.99E-15,-13.36694017,-6.331708503,-0.8117575,31.65854251,0,0,0,0.005558437,8.60E-17,-0.001408137,-6.67E-04,-8.55E-05,0.003335062,0,0,0,0.235880692,7.98E-17,-0.059756442,-0.028305683,-0.003628934,0.141528415,0,0,0,1.281307661,3.14E-15,-0.324597941,-0.153756919,-0.019712426,0.768784597,0,0,0,0.125,0.015625,-0.029166667,-0.01875,-0.004807692,0.0625,0,0,0,0.003733518,-0.272218804,-0.111685424,0.006406312,0.550960084,0,0,0,8.45E-16,-0.253333333,-0.12,-0.015384615,0.6,0,0,0,1.51E-16,-0.253333333,-0.12,-0.015384615,0.6,0,0,0,1.55E-14,-0.253333333,-0.12,-0.015384615,0.6,0,0,0,3.38E-16,-0.253333333,-0.12,-0.015384615,0.6,0,0,0,2.45E-15,-0.253333333,-0.12,-0.015384615,0.6,0,0,0,0.125,-0.233333333,-0.15,-0.038461538,0.5,0,0,0,1.154792043,1.311020534,1.019188882,0.794976307,0.094471504,0,0,0,1.25,1.333333333,1,0.769230769,0,0,0,0,1.25,1.333333333,1,0.769230769,0,0,0,0,1.25,1.333333333,1,0.769230769,0,0,0,0,1.25,1.333333333,1,0.769230769,0,0,0,0,1.25,1.333333333,1,0.769230769,0,0,0,0,1.0546875,1.3125,1.078125,0.793269231,0,0,0,0,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,18.13288029,8.513061098,12.78072643,18.13288029,3.022146714,8.513863339,-3.55E-15,0.078242963,0.013040494,-1.528761829,35.910372,5.985062,2.1486157,21.59580837,9.436456808,14.31225401,21.59580837,3.599301396,9.436862402,-0.111111111,0.145144578,0.024190763,-1.158014968,22.36835534,3.728059223,1.864588351,0,11.9,12.1000824,-0.164817529,0.042219604,6.532585361,6.775229999,6,16,15,15,5,1,1,0,0,1,10.93207,3.613534503,2.766129411,2.670733644,1.426915667,1.280358167,0.745385601,0.083923071,0.083923071,1.956102786,1.306637636,1.289247512,0.613571465,0.574012486,0.259946685,0.083923071,0.083923071,3.635963716,2.800130939,2.714019583,1.523146265,1.388936179,0.882843159,0.270913902,0.270913902,1.904564498,1.216636457,1.211610963,0.471095317,0.422928919,0.092720276,0.270913902,0.270913902,3.735659072,2.952913657,2.905601615,1.920183444,1.829282018,1.415929732,0.943918427,0.943918427,1.755782541,0.983897868,0.943775969,0.006408762,0.090576956,0.490411682,0.943918427,0.943918427,3.652542714,2.825381442,2.746030809,1.592839035,1.467119469,0.980162006,0.399277246,0.399277246,1.871998278,1.162145352,1.158511608,0.37555048,0.321126922,0.020920637,0.399277246,0.399277246,3.784885575,3.028693114,2.99852718,2.095780148,2.020397398,1.637930713,1.207644823,1.207644823,1.710226487,0.913781604,0.857043734,0.175873707,0.276154994,0.708677935,1.207644823,1.207644823,3.70535128,2.898715639,2.750631765,1.693321354,1.575987379,1.172323917,0.6,0.6,1.83694185,1.119307666,1.046222152,0.22999262,0.183294425,0.21942738,0.6,0.6,0,0,0,2,0,0,4,0,0,0,0,0,0.125,0,0,0,0,0.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,3.983127663,2.649829914,1.755861571,1.15824829,0.760079655,0.5,0,0,0.663854611,0.441638319,0.292643595,0.193041382,0.126679943,0.083333333,0,0,8.709139019,15.43918427,14.62745098,14.8,9.992772455,121.8839701,0.544321189,0.964949017,0.914215686,0.925,0.624548278,7.617748129,2.04279,27.338,21,27,42,7,21,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,36,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,4,2,0,2,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.534722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.632638889,0,0,1.067361111,0.580555556,0,0.632638889,0,0,0,0,0,0,0,0,0,0,5.465277778,0,4.534722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.243402778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,0,0,1.319444444,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.290277778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,0,0,1.413194444,0,2.267361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,1.666666667,0.316319444,2.267361111,0.243402778,1.319444444,3.903986111,0.180555556,0.267361111,1.069444444,0.180555556,0.267361111,1.069444444,3,0.5,0,0,0.45,0.7,0.43333,0.43333,0.7,0.01667,0.01667,0,0,0.71429,0,0,0,0,0,4,0.66667,3,0.5,1,0.16667,-2,-0.33333,0,0,4.06658,0.67776,5,0.93342,0.15557,2.45711,0.40952,3,0.54289,0.09048,-0.086,-0.01433,0,0,0.375,6,0,0,0,0,0,0,0.666666667,0.954434003,2,2.5,2.5,2.5,2.5,15.27094405,32,40,40,40,40,0.238608501,0.5,0.625,0.625,0.625,0.625,3.045565997,2,1.5,1.5,1.5,1.5,0.233502796,0.489301084,0.611626355,0.611626355,0.611626355,0.611626355,6.794779896,14.3818469,14.88575942,14.88575942,14.88575942,14.88575942,23.34095565,18.25,18.25,18.25,18.25,18.25,4.166666667,2.222222222,1.333333333,0,2,0,2.12,0.8024,0,0,0,0,9.125465128,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.093,0.088,0.377,0.384,3.064,6,6,6,6,0,0,0,0,0,36,2.079441542,2.197224577,2.302585093,2.397895273,2.48490665,0,0,0,0,0,3.951243719,1.416666667,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,13,18,3,9.000420062,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,0,97.33944905,3.584962501,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,65.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921172722,82.07825032,5.129890645,11.8125,1.96875,0,0,0,27,3,2.898,24,1.286936261,2.275065463,3.045601428,3.84949883,4.532904867,0,0,0,0,0,93.9252279,94.06960818,53.8150092,19.94454114,4.60572145,0,0,0,0,0,330.7071423,402.474825,321.5908996,240.5855778,140.8996564,0,0,0,0,0,9.410629108,16.31781763,21.30693373,26.43975728,30.45415816,0,0,0,0,0,2.426230269,3.248692958,2.989133528,2.678545282,2.015388,0,0,0,0,0,181.4513105,342.2803903,497.5287393,665.877226,838.2141248,0,0,0,0,0,2.737411054,4.165488916,4.597849607,4.852030788,4.532904867,0,0,0,0,0,0.500046334,0.681569136,0.643190798,0.593103484,0.464169458,0,0,0,0,0,242.435527,83.40823319,8.511748464,52.8651831,-18.18789339,-4.081485751,189.5703439,101.5961266,12.59323421,0.820978476,0.282451854,0.028824003,0.179021524,-0.061591093,-0.013821456,71.59138327,24.63051049,2.513525365,15.61112611,-5.370897834,-1.20526564,0.165373633,0.25558303,4.163263164,7.065174885,295.3007101,0,1,0,361.2160785,19.00568542,7.12178772,458.5110639,21.41287145,7.711104817,536.3589506,23.15942466,8.124909099,1.591158247,1.138944581,211.8600743,127.6170743,109.9160316,1.660123267,1.927472009,1.1610415,3.317739965,3.820078341,5.196394925,0.360284911,2.952467598,2.263616531,3.443858116,12.12771831,9.317275169,6.9358737,7.159935865,2.410155523,1.266887611,1.19E-04,9.14E-29,1.57E-74,5.30E-142,3.45E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.247913349,2.263447887,0.379470893,3.666571163,3.904138074,0.491047765,0.360400875,0.016975429,0.008922793,8.40E-07,6.44E-31,1.11E-76,3.73E-144,2.43E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.79997053,2.263459501,0.985108747,4.898160853,4.60084078,1.645145652,1.321879013,0.17689308,0.092982383,8.75E-06,6.71E-30,1.16E-75,3.89E-143,2.53E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.786896725,2.263598138,3.249229565,11.43443763,8.841467136,6.484218024,6.592808645,2.147405529,1.128774053,1.06E-04,8.14E-29,1.40E-74,4.72E-142,3.07E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.178940479,2.263474247,1.406759638,5.890735988,5.200318464,2.485329129,2.108526014,0.384234162,0.201970161,1.90E-05,1.46E-29,2.51E-75,8.45E-143,5.50E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.565502017,2.263693796,4.172460898,14.89365929,11.24295583,8.67299328,9.431048075,3.514983669,1.847636516,1.74E-04,1.33E-28,2.30E-74,7.73E-142,5.03E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.724264565,2.043236862,2.398474834,7.423130172,6.508416274,3.791344942,3.597253837,0.867657208,0.45607954,4.29E-05,3.29E-29,5.67E-75,1.91E-142,1.24E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.006735584,1.859520329,0.523146333,0.457177418,0.423638624,0.451826091,0.512962296,0.309917736,4.389402245,5.754183214,12.09574032,0.321224063,1.274706122,1.413652651,1.182850501,0.156335159,0.513525493,0.429683972,0.224206395,0.207605264,0.027297005,2.752838311,2.07806448,5.092317025,0.414814198,0.459108664,1.635970335,1.436577288,0.294004789,0.485948274,0.426720607,0.300181725,0.306152154,0.097148349,3.366552413,3.253541544,7.311063373,0.369003322,0.703482228,1.990639793,1.841170618,0.513210115,0.458142782,0.423742674,0.444581904,0.502882376,0.298176079,4.345020526,5.631631359,11.85762213,0.322828185,1.245640359,1.740454894,1.555805948,0.358633677,0.476198392,0.425677387,0.339734953,0.359062645,0.144905715,3.654894519,3.889960222,8.515966625,0.352813669,0.843703314,2.057642801,1.917545608,0.554565088,0.454250502,0.423322287,0.47514535,0.545501506,0.34855026,4.529753497,6.150124626,12.8679834,0.316359183,1.369197116,1.997472511,1.840329017,0.51400663,0.458998292,0.42288836,0.447573162,0.502434673,0.299144436,4.351808158,5.648662054,11.88996199,0.322829979,1.249152271 +UMLYSI0163,L,"2,2,4-trimethylpentane",CC(C)CC(C)(C)C,linear alkanes,C8H18,540-84-1,10907,PubChem,,61.7,0,2.4503,6.00397009,38.1492,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1725.25417,1334.803517,1150.572534,444.999744,54.867456,0,0,3947.642614,5029.877407,7256.714489,8103.085283,6657.887638,4410.271889,1678.522199,0,0,181.25648,180.900988,339.488488,447.331892,616.779096,316.700928,362.797056,0,0,30.31423229,39.56609758,59.5007813,73.17861874,66.1216493,44.0891113,24.00909686,0,0,4342.872585,3643.766351,7595.322043,9769.440382,15721.53703,7176.670586,9985.553209,0,0,43.59027778,51.04166667,78.58333333,112.75,115.5,81,54,0,0,45.09238923,49.11105724,35.94279521,21.18735741,12.78413927,9.8888832,1.016064,0,0,151.8324082,201.1950963,151.1815518,128.6204013,73.97652931,98.00604198,31.08374443,0,0,6.971403077,7.23603952,7.072676833,7.100506222,6.853101067,7.0377984,6.718464,0,0,1.165932011,1.582643903,1.23959961,1.161565377,0.734684992,0.979758029,0.444612905,0,0,167.033561,145.7506541,158.2358759,155.0704823,174.6837448,159.4815686,184.917652,0,0,1.676549145,2.041666667,1.637152778,1.78968254,1.283333333,1.8,1,0,0,0.034874423,-0.008917484,0.015414224,-0.049197905,0.041146175,-0.045353305,0.029471083,0,0,670.5194345,-58.02572029,196.2845353,-907.636884,640.4320239,-825.2546886,618.9410164,0,0,1246.859521,-107.9013047,364.999475,-1687.789543,1190.910696,-1534.596333,1150.94725,0,0,0.131350154,-0.01136684,0.038450793,-0.177799834,0.125456237,-0.161661728,0.121246296,0,0,5.574042193,-0.482369036,1.63171748,-7.54520455,5.323924915,-6.860359622,5.145269717,0,0,30.27828566,-2.620236259,8.863515246,-40.98567087,28.91964464,-37.26558235,27.94918676,0,0,4.000267094,-2.616442719,3.59566075,-6.340390779,6.364460059,-5.959596893,2.956176036,0,0,0.001341324,-3.57E-04,3.21E-04,-7.81E-04,4.57E-04,-0.001007851,5.46E-04,0,0,25.78920902,-2.321028812,4.089261152,-14.40693467,7.115911377,-18.33899308,11.46187067,0,0,47.95613541,-4.316052187,7.60415573,-26.79031021,13.23234107,-34.10214073,21.31383796,0,0,0.005051929,-4.55E-04,8.01E-04,-0.00282222,0.001393958,-0.003592483,0.002245302,0,0,0.214386238,-0.019294761,0.033994114,-0.119765152,0.059154721,-0.152452436,0.095282773,0,0,1.164549448,-0.10480945,0.184656568,-0.650566204,0.321329385,-0.828124052,0.517577533,0,0,0.153856427,-0.104657709,0.074909599,-0.100641123,0.070716223,-0.132435487,0.054744001,0,0,-0.265930799,0.239412456,-0.582200224,0.340842126,-0.751385368,0.406882155,0,0,-0.09,0.158564815,-0.558641975,0.275925926,-0.711111111,0.444444444,0,0,-0.09,0.158564815,-0.558641975,0.275925926,-0.711111111,0.444444444,0,0,-0.09,0.158564815,-0.558641975,0.275925926,-0.711111111,0.444444444,0,0,-0.09,0.158564815,-0.558641975,0.275925926,-0.711111111,0.444444444,0,0,-0.09,0.158564815,-0.558641975,0.275925926,-0.711111111,0.444444444,0,0,-0.680229686,0.486879882,-0.654123624,0.459624758,-0.860773186,0.355812245,0,0,1.801167903,0.78815335,1.85664522,0.360289243,2.06096631,2.36E-05,0,0,1.625,1.03443287,1.79122575,0.451388889,1.805555556,0,0,0,1.625,1.03443287,1.79122575,0.451388889,1.805555556,0,0,0,1.625,1.03443287,1.79122575,0.451388889,1.805555556,0,0,0,1.625,1.03443287,1.79122575,0.451388889,1.805555556,0,0,0,1.625,1.03443287,1.79122575,0.451388889,1.805555556,0,0,0,2.284569673,0.330924084,1.997427802,0.151899579,2.499833077,0,0,0,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,34.06763491,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,-1.42E-14,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,47.51137915,23.60404027,36.42074143,47.28390519,5.910488149,23.60404027,-0.303298611,0.069676456,0.008709557,-2.131114248,29.6799635,3.709995438,2.712377751,0,11.89,12.11011416,-0.159339712,0.061922972,5.9119375,8.904306431,7,25,25,25,7,0,0,0,0,0,19.677726,3.592008556,3.179705212,2.333552793,2.333552793,2.333552793,2.167113911,1.048880678,0.462707667,1.954137036,1.700210789,1.249629723,1.249629723,1.249629723,1.068398448,0.391977468,0.083923071,3.615439298,3.214821748,2.405454588,2.405454588,2.405454588,2.235900366,1.162535052,0.568769731,1.89931099,1.625172106,1.134540686,1.134540686,1.134540686,0.953162997,0.236164495,0.270913902,3.720228904,3.370103217,2.704236987,2.704236987,2.704236987,2.526266251,1.621470524,0.966353878,1.741484876,1.401130811,0.76031856,0.76031856,0.76031856,0.581431987,0.295298608,0.943918427,3.632796401,3.240763222,2.457539916,2.457539916,2.457539916,2.286022252,1.244238386,0.643043341,1.864692752,1.577040195,1.058262671,1.058262671,1.058262671,0.876980678,0.131040995,0.399277246,3.772273965,3.445738001,2.838982085,2.838982085,2.838982085,2.659090551,1.819820028,1.207644823,1.693409454,1.330703101,0.631337262,0.631337262,0.631337262,0.454834927,0.48816063,1.124443599,3.592231329,3.276863964,2.607254599,2.607254599,2.607254599,2.327374127,1.296485879,0.62512708,1.89351304,1.522549093,0.903112587,0.903112587,0.903112587,0.800458083,0.037656838,0.568047337,0,0,0,0,0,5,1,1,1,0,0,0,0,0,0,0,0,0,0,1.968908462,0.353553391,0,0,1.968908462,0.353553391,0,0,0.816496581,2.041241452,1.020620726,0.816496581,2.041241452,1.020620726,6.78445705,3.416502219,4.158631167,1.020620726,1.224744871,0,0,0,0.848057131,0.488071746,0.415863117,0.204124145,0.204124145,0,0,0,6.78445705,3.416502219,4.158631167,1.020620726,1.224744871,0,0,0,0.848057131,0.488071746,0.415863117,0.204124145,0.204124145,0,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,45,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,5,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,11.39236111,0,1.326388889,0,0,0,0.842592593,0,0,0,0,0,0.521990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.269097222,0,1.326388889,0,0,0,0.842592593,0,0,0,0,0,0.521990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.284722222,0,1.326388889,0,0,0,0.842592593,0,0,0,0,0,0.521990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.08333333,1.760416667,0.2,2.284722222,0,0.521990741,6.046809028,0.728009259,0.284722222,2.784722222,0.728009259,0.284722222,2.784722222,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.625,0.125,0.125,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.73928,1.21741,9.73928,0,0,3.41649,0.42706,3.41649,0,0,0.49751,0.06219,0.49751,0.06219,0,7,0,0,0,0,0,0,1,0.89049164,1.36704393,2.109737932,2.669901737,2.489115594,1.842894099,23.15278265,35.54314217,54.85318624,69.41744515,64.71700543,47.91524656,0.189448582,0.290833201,0.448838419,0.568011058,0.529549519,0.392068447,3.809948078,3.333395788,2.590701786,2.030537982,2.211324125,2.85754562,0.191756937,0.294376887,0.454307336,0.574932045,0.536001868,0.396845644,6.648700044,12.36732752,15.16830597,15.73285308,13.56341936,8.937675332,31.72521615,23.58736256,20.75788419,21.58789648,20.50317962,17.76444748,8,2.52,7.2,8,0,5,2.34,1.2358,3.298769777,2.5,2.58640929,3.221970075,0,1,1,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.131,0.009,0.004,3.126,10,5,6,0,0,0,0,0,0,36,2.079441542,2.397895273,1.791759469,1.945910149,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,7,1,0,2,4,1,4,0.666666667,0.75,0,0,0,0,0,0,0,0.571428571,0.066666667,0.15,0,0,0,0,0,0,0,0.788095238,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,0,146.9243357,4,3.555348061,4.17438727,5.056245805,5.686975356,6.577861358,7.211556733,8.105005538,8.739536423,9.633841843,73.74075839,2.708050201,0,4.007333185,0,5.416100402,0,6.882437471,0,8.379079889,8.635687085,114.1408506,4.390032714,14.27908074,1.784885093,0,0,0,66,5,4.807,34,1.2278,2.115728773,2.941571657,3.435863964,4.168456882,4.591747212,0,0,0,0,71.2221278,87.331823,66.2360442,49.51859867,42.38461035,4.665509039,0,0,0,0,272.5498825,351.7650236,389.2140277,271.2450924,417.3074773,142.7286968,0,0,0,0,8.919363223,15.034845,20.91004856,23.58942738,29.37862393,30.84948834,0,0,0,0,2.081648384,2.816384767,3.482229517,2.631808581,4.154236656,2.041550066,0,0,0,0,176.77647,329.6995075,454.4862559,597.024756,661.4573701,849.0951131,0,0,0,0,2.546391667,3.646097269,5.311626286,4.525357563,7.608102435,4.591747212,0,0,0,0,0.4321989,0.591022767,0.742723227,0.573088326,0.900145213,0.470194914,0,0,0,0,373.7077614,162.5423626,8.947225015,118.7815566,-51.66345693,-6.901876529,254.9262048,214.2058195,15.84910154,0.758813943,0.330042412,0.018167348,0.241186057,-0.104902695,-0.014014266,184.0470805,80.05037729,4.406412745,58.49864778,-25.44370067,-3.399100465,0.067974271,0.144036782,0.836073938,8.049388056,492.489318,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,801.7991682,28.31605849,9.290131623,1.404310375,1.404310375,410.0261221,373.1117009,161.6504711,1.098936649,2.536498158,2.308138655,4.005012793,3.22022378,6.424248771,0.99496967,5.020218393,6.683004489,3.186528603,26.75033514,4.692708239,14.65268939,10.09536312,12.72250273,5.546721246,8.179924101,2.32761958,1.126710559,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421311494,6.642958987,0.1725264,11.70491739,1.527764632,1.670896912,0.414037182,0.67966319,1.115878738,0.094794332,0.016394683,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.360045288,6.651078506,0.619466497,13.979447,1.765622122,3.525905859,1.423351546,2.329101507,1.654860668,0.695889075,0.170836853,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.738676201,6.680533608,2.942480948,25.54746859,4.354553874,13.57676117,9.160639552,11.69913552,5.146185028,7.313767434,2.073867876,1.003878823,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.00445695,6.65666852,0.976243274,15.7773557,2.050099432,5.035319258,2.40329219,3.701527375,2.133363791,1.420066592,0.371077844,0.17962281,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.062642867,6.692174986,4.157722022,31.52396775,6.10869562,18.95563992,13.94458422,16.8364309,7.176517963,11.80837168,3.394610919,1.64320146,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.089831421,5.141674799,1.242128226,18.98228424,2.343087082,8.193086423,3.640308071,5.528922222,3.318008076,2.795540533,0.751075597,0.363564459,2.59E-15,3.56E-51,9.43E-109,4.82E-188,4.75E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.400794242,1.424765966,1.037813733,0.580006371,0.242994218,0.523423263,0.584057321,0.464255295,5.863373941,9.853368547,20.74529862,0.370009557,1.57173588,2.722439864,0.871012702,0.546324625,0.657629563,0.210400865,0.335152069,0.217909949,0.128018615,4.139777191,4.334471328,9.769737012,0.486444344,0.681080632,3.00199774,1.099244856,0.748931772,0.618946354,0.226640276,0.407658717,0.347351679,0.241115369,4.850174369,6.371481461,13.69307868,0.42841953,0.996125764,3.384986923,1.411864347,1.026366062,0.581291532,0.242454345,0.518558464,0.573510195,0.454025145,5.823217333,9.702467702,20.43083455,0.371937298,1.546093803,3.1221914,1.197360968,0.836014827,0.605596103,0.232246215,0.441021943,0.412249757,0.300709038,5.155567194,7.349599941,15.6305167,0.408394154,1.153980737,3.4499796,1.464909442,1.073432357,0.576117975,0.244627725,0.538706255,0.617490156,0.496819176,5.9883214,10.32970862,21.74305807,0.364176963,1.653015587,3.39316235,1.415176613,1.028529824,0.581332642,0.242454759,0.521086913,0.57633231,0.456017766,5.836868787,9.747444029,20.52323486,0.371998962,1.553436989 +UMLYSI0164,L,1-methyl-1-cyclohexene,CC1=CCCCC1,cyclic alkenes,C7H12,591-49-1,11574,PubChem,,62,0,0.6562,0.43059844,29.741,20.321516,0,0,19,7,12,0,7,0,0,0,0,0,0,0,0,0,1022.041615,1155.133903,1415.474264,1062.436877,395.636137,78.824592,6.096384,0,0,3337.623245,4341.457709,6015.190369,5650.645573,3256.271246,1133.190482,186.5024666,0,0,133.40518,138.195196,256.823648,323.93714,283.863268,156.520512,40.310784,0,0,24.85765486,32.88483172,48.80792084,50.23477704,33.28311289,13.57075384,2.667677429,0,0,3106.572317,2725.031065,5524.351915,7357.127697,6919.393455,4094.130475,1109.505912,0,0,31.77777778,38.91666667,63,73.91666667,55.83333333,26.5,6,0,0,53.79166395,60.79652121,39.31872956,23.09645385,9.649661878,3.427156174,1.016064,0,0,175.6643813,228.4977741,167.0886214,122.8401211,79.4212499,49.26915137,31.08374443,0,0,7.021325263,7.273431368,7.133990222,7.042111739,6.923494341,6.805239652,6.718464,0,0,1.308297624,1.730780617,1.355775579,1.09206037,0.811783241,0.590032776,0.444612905,0,0,163.5038062,143.4226876,153.4542199,159.9375586,168.765694,178.0056728,184.917652,0,0,1.67251462,2.048245614,1.75,1.606884058,1.361788618,1.152173913,1,0,0,0.034276411,0.00308452,-0.010230164,-0.022051348,-0.002305469,0.009947485,0.00441677,0,0,535.2391977,5.47E-13,-90.21262166,-289.0828248,-141.8585092,154.9376625,98.59669431,0,0,995.3001436,-1.14E-13,-167.7542222,-537.561857,-263.7919554,288.1131995,183.3447633,0,0,0.104849684,1.51E-15,-0.017672033,-0.056629341,-0.027789108,0.030351224,0.019314416,0,0,4.449454733,3.83E-15,-0.749939426,-2.403151616,-1.179272777,1.288000054,0.819636398,0,0,24.16950873,7.99E-14,-4.073682862,-13.05395772,-6.405828441,6.996436737,4.452277924,0,0,2.298245614,-0.112573099,0.107417667,-1.486688212,-0.547091413,0.527854725,0.361957525,0,0,0.001804022,1.62E-04,-2.84E-04,-4.79E-04,-5.62E-05,4.32E-04,7.36E-04,0,0,28.17048409,2.88E-14,-2.505906157,-6.284409235,-3.459963638,6.736420108,16.43278239,0,0,52.38421809,-5.98E-15,-4.659839506,-11.68612733,-6.433950131,12.52666085,30.55746055,0,0,0.005518404,7.95E-17,-4.91E-04,-0.001231073,-6.78E-04,0.001319618,0.003219069,0,0,0.234181828,2.02E-16,-0.020831651,-0.052242426,-0.028762751,0.056000002,0.136606066,0,0,1.272079407,4.21E-15,-0.113157857,-0.28378169,-0.156239718,0.304192902,0.742046321,0,0,0.120960295,-0.0059249,0.002983824,-0.032319309,-0.013343693,0.022950205,0.060326254,0,0,0.089989588,-0.157520958,-0.265726924,-0.031169772,0.239741767,0.408048474,0,0,1.02E-15,-0.088955026,-0.223084886,-0.1228223,0.239130435,0.583333333,0,0,-1.14E-16,-0.088955026,-0.223084886,-0.1228223,0.239130435,0.583333333,0,0,1.44E-14,-0.088955026,-0.223084886,-0.1228223,0.239130435,0.583333333,0,0,8.61E-16,-0.088955026,-0.223084886,-0.1228223,0.239130435,0.583333333,0,0,3.31E-15,-0.088955026,-0.223084886,-0.1228223,0.239130435,0.583333333,0,0,-0.048982188,0.024667798,-0.267189401,-0.110314653,0.189733378,0.498727735,0,0,1.12219337,1.318729354,1.308812969,0.83506805,0.337404643,9.60E-05,0,0,1.285714286,1.1875,1.194875776,0.943379791,0.442546584,0,0,0,1.285714286,1.1875,1.194875776,0.943379791,0.442546584,0,0,0,1.285714286,1.1875,1.194875776,0.943379791,0.442546584,0,0,0,1.285714286,1.1875,1.194875776,0.943379791,0.442546584,0,0,0,1.285714286,1.1875,1.194875776,0.943379791,0.442546584,0,0,0,1.339694656,0.948791349,1.345544308,0.94451685,0.468221042,0,0,0,21.85514561,10.9275728,15.99555507,21.85514561,3.122163658,10.92763402,-1.24E-14,0.041583509,0.005940501,-2.226036127,42.5912128,6.084458972,2.626153572,21.85514561,10.9275728,15.99555507,21.85514561,3.122163658,10.92763402,-1.24E-14,0.041583509,0.005940501,-2.226036127,42.5912128,6.084458972,2.626153572,21.85514561,10.9275728,15.99555507,21.85514561,3.122163658,10.92763402,-1.24E-14,0.041583509,0.005940501,-2.226036127,42.5912128,6.084458972,2.626153572,21.85514561,10.9275728,15.99555507,21.85514561,3.122163658,10.92763402,-1.24E-14,0.041583509,0.005940501,-2.226036127,42.5912128,6.084458972,2.626153572,21.85514561,10.9275728,15.99555507,21.85514561,3.122163658,10.92763402,-1.24E-14,0.041583509,0.005940501,-2.226036127,42.5912128,6.084458972,2.626153572,21.85514561,10.9275728,15.99555507,21.85514561,3.122163658,10.92763402,-1.24E-14,0.041583509,0.005940501,-2.226036127,42.5912128,6.084458972,2.626153572,22.8472937,11.3680913,16.69513305,22.76792862,3.252561232,11.36812925,-0.111111111,0.160309706,0.022901387,-1.281453372,75.10526541,10.72932363,3.023223468,0,11.9,12.10010405,-0.140910337,0.059909795,6.021119715,7.854758048,7,19,18,18,6,1,1,0,0,1,13.118484,3.664877269,2.936402518,2.683104061,2.176056391,1.382221251,1.231689465,0.342717822,0.083923071,1.976510315,1.490154702,1.30468675,1.028917133,0.583527959,0.529733496,0.083923071,0.083923071,3.684520119,2.972032666,2.725159647,2.242392503,1.47866712,1.343586459,0.471107941,0.270913902,1.928179858,1.407657825,1.216050398,0.920890797,0.437098865,0.382105299,0.270913902,0.270913902,3.773201831,3.132972864,2.91160343,2.51943629,1.8775957,1.791787481,0.958552948,0.943918427,1.791365929,1.165766423,0.948833374,0.571608391,0.04837618,0.127557952,0.943918427,0.943918427,3.699113341,2.998536853,2.756274447,2.290545233,1.548562802,1.423802233,0.561579714,0.399277246,1.897875129,1.355054661,1.158944624,0.84949559,0.339306308,0.282074839,0.399277246,0.399277246,3.817785525,3.213251716,3.002288355,2.644856083,2.054891644,1.983651284,1.207644823,1.207644823,1.750369929,1.09162472,0.864290061,0.451684336,0.219114533,0.314753011,1.153245834,1.207644823,3.731313857,3.05615491,2.776490443,2.41985373,1.658492875,1.526695149,0.70712645,0.6,1.872811671,1.253565458,1.110088822,0.709902564,0.194197303,0.135561597,0.6,0.6,0,0,0,1,1,1,4,0,0,0,0,0,0.102062073,0.102062073,0,0,0,0.072168784,0.072168784,0.288675135,0,0,0,0.204124145,0,0,0,0.40824829,0.433012702,0.40824829,0.288675135,0.306186218,0.288675135,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,4.905777394,3.050476816,2.296258731,1.518037688,0.99870012,0.660074775,0.144337567,0,0.700825342,0.435782402,0.287032341,0.189754711,0.124837515,0.082509347,0.072168784,0,10.25096682,18.32702112,17.35294118,17.56,11.79132695,144.9122251,0.53952457,0.964580059,0.913312693,0.924210526,0.620596155,7.626959218,2.43289,31.955,25.81164286,34.91599912,51.62328572,7.374755103,25.81164286,0.063309915,0.009044274,-1.931799329,26.80913824,3.829876892,2.302119966,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,3,0,1,0,0,0,0,0,0,0,0,1,0,4,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.939814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,1.067361111,0.870833333,0,0.288541667,0,0,0,0,0,0,0,0,2.221388889,0,5.505462963,0,2.350694444,0,0,0,0,1.58912037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.58912037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.243402778,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.221388889,0,1.325231481,0,2.350694444,0,0,0,0,1.58912037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.350694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288541667,0,0,0.290277778,0.290277778,0,0.288541667,0,0,0,0,0,0,0,0,2.221388889,0,1.418981481,0,2.350694444,0,0,0,0,1.58912037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.66666667,1.666666667,0.290277778,2.350694444,0.053819444,1.325231481,4.04740162,0.174768519,0.350694444,1.144166667,0.174768519,0.350694444,1.144166667,3.5,0.5,0,0,0.44737,0.7,0.43333,0.43333,0.7,0.01404,0.01404,0,0,0.71429,0,0,0.14286,0.14286,0,4.5,0.64286,3.5,0.5,1,0.14286,-2.5,-0.35714,0,0,5.65204,0.80743,6.62679,0.97475,0.13925,2.8406,0.4058,3.39384,0.55324,0.07903,0.02016,0.00288,0.10616,0.01517,0.315789474,7,0,0,0,0,0,0,0.714285714,0.949452015,2.034572366,3.050301855,3.366091329,3.471354487,3.300559092,18.03958829,38.65687495,57.95573525,63.95573525,65.95573525,62.71062276,0.223509467,0.47895647,0.718068245,0.792407902,0.817187788,0.776981029,3.298475498,2.213355148,1.197625658,0.881836184,0.776573026,0.947368421,0.219682511,0.470755719,0.705773393,0.778840197,0.803195798,0.763677465,6.790838447,16.93938967,19.12013832,20.59546991,19.54448571,19.37235383,27.3155423,17.47469193,16.08086204,14.13567519,15.02997571,15.43798769,5.142857143,2.34375,1.5,0,2,0,2.23,0.9433,0,1.850535862,1,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.076,0.353,0.392,3.54,8,8,8,8,2,0,0,0,0,48,2.197224577,2.48490665,2.564949357,2.63905733,2.708050201,1.386294361,0,0,0,0,4.234106505,1.416666667,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,0,3,4,0.333333333,1,0.444444444,0.1875,0.111111111,0,0,0,0,0,0,0.142857143,0.055555556,0.0375,0.111111111,0,0,0,0,0,0,0.34702381,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,0,114.6354337,3.807354922,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,71.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.388905171,96.09390038,5.057573704,13.67682532,1.953832189,0,0,0,42,5,2.96,30,1.280314746,2.243921907,3.056942465,3.783299608,4.784264649,5.546580281,0,0,0,0,91.88751044,98.75144722,75.95911355,40.53261931,16.98430411,5.635680546,0,0,0,0,325.3736645,404.2538434,392.3223366,318.554372,240.1506967,172.4084839,0,0,0,0,9.357235716,16.0715998,21.57152559,26.26117751,32.57922548,37.26449994,0,0,0,0,2.394041041,3.218964267,3.445558809,3.201629158,2.858329795,2.466081171,0,0,0,0,180.8273885,339.8177913,485.6517221,633.2439391,849.9409418,1025.660602,0,0,0,0,2.719856273,4.060386226,5.001312719,5.279579739,5.553036225,5.546580281,0,0,0,0,0.493680202,0.674058306,0.734097439,0.697541877,0.640314132,0.567969821,0,0,0,0,272.4330244,100.8712237,8.360844597,37.07796007,-13.72850892,-2.263750775,235.3550644,114.5997326,10.62459537,0.880204704,0.32590515,0.027013079,0.119795296,-0.044355482,-0.007313959,84.3210136,31.22075176,2.587773243,11.47603592,-4.24912431,-0.700655731,0.154360939,0.22963286,3.431854054,3.148636688,309.5109845,0,1,0,425.4728485,20.6269932,7.52126026,541.9295938,23.2793813,8.152940807,675.4334633,25.98910278,8.773930523,1.821635921,1.788060884,324.4240951,235.6392707,117.8308484,1.376782801,2.753303565,1.999809675,3.688716546,3.820078341,6.188277901,0.619934815,3.428610376,3.262778105,3.192581131,15.39891681,9.892136779,7.366954725,8.190328071,7.613400721,3.01654657,2.475321824,0.806823903,6.02E-05,2.42E-29,1.88E-75,2.82E-143,8.14E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.287872713,3.262548785,0.343847096,5.004823022,3.952375937,0.414597816,1.128758136,1.201280261,0.070768594,0.073815149,0.005682527,4.24E-07,1.71E-31,1.33E-77,1.98E-145,5.73E-235,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.928964228,3.262564557,0.879688837,6.543885584,4.756562625,1.470502571,2.14348749,1.919069084,0.348631128,0.326528965,0.05921631,4.42E-06,1.78E-30,1.38E-76,2.07E-144,5.97E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.236336667,3.262753086,3.00203577,14.55649553,9.384085273,6.812841386,7.607075875,7.011757264,2.721788076,2.244289018,0.718865572,5.37E-05,2.16E-29,1.68E-75,2.51E-143,7.25E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.369053455,3.2625846,1.26108052,7.773387875,5.429828005,2.303195473,2.966759766,2.587307052,0.635409163,0.570523259,0.128625738,9.60E-06,3.87E-30,3.00E-76,4.49E-144,1.30E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.140513378,3.262883204,3.916419567,18.75203733,11.93720499,9.564483466,10.52123848,10.07843076,4.237820006,3.426124233,1.176676836,8.79E-05,3.54E-29,2.74E-75,4.11E-143,1.19E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.067052468,3.105312856,1.848615735,9.992020716,6.796480294,3.632837261,4.560743747,4.105435326,1.202003828,1.155126877,0.290456606,2.17E-05,8.73E-30,6.78E-76,1.01E-143,2.93E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.279851475,1.678405944,0.528502594,0.597775639,0.305901104,0.540005793,0.489659404,0.341982711,5.486760013,8.125374118,16.5214998,0.396663459,1.371647907,2.300973976,1.081531865,0.151072671,0.651173865,0.306072685,0.265460448,0.201839763,0.027599911,3.533578512,2.999580868,6.909115307,0.476760797,0.494900122,2.671096925,1.307474269,0.293965295,0.625178259,0.30601828,0.357858632,0.295944577,0.105087044,4.272536489,4.661952355,9.961130448,0.437767389,0.758890253,3.25364874,1.662452951,0.518417143,0.598700426,0.30590619,0.531391974,0.480323707,0.328974099,5.434518835,7.957629345,16.19628618,0.398050639,1.34068978,2.843735197,1.412740221,0.360531358,0.615926148,0.30598617,0.405699538,0.345960668,0.158413213,4.617006775,5.55205195,11.61747871,0.423889222,0.910073419,3.362588046,1.728772055,0.560343039,0.594968979,0.305885149,0.56766141,0.519726554,0.384720655,5.65170314,8.66605644,17.57511674,0.392453468,1.472108619,3.260547721,1.663838584,0.519276774,0.598962073,0.30564687,0.533619126,0.481097798,0.330109906,5.443663079,7.982144536,16.24289715,0.398443109,1.344826831 +UMLYSI0165,L,"4,4-dimethyl-1-pentene",CC(C)(C)CC=C,alkenes,C7H14,762-62-9,12984,PubChem,,61.4,0,2.5849,6.68170801,34.0286,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1371.110168,1041.190084,652.078731,190.750896,18.289152,0,0,3399.790734,4147.41404,5680.578881,6178.394007,4399.966812,2000.802945,559.5073998,0,0,146.842108,144.889944,255.226976,327.505936,451.473132,167.230656,120.932352,0,0,25.74688067,32.32302034,46.13219522,55.2487354,45.74235268,20.70468079,8.003032287,0,0,3476.407621,2904.481805,5651.532332,7065.504846,11585.06369,3961.097084,3328.517736,0,0,42.8125,47.375,65.25,91.5,93.5,48,18,0,0,48.76541633,51.7541979,38.08639356,22.63456704,9.879980773,7.947954,1.016064,0,0,161.8947969,207.370702,157.7938578,134.3129132,66.66616381,83.36678939,31.08374443,0,0,6.992481333,7.2444972,7.089638222,7.119694261,6.840502,6.967944,6.718464,0,0,1.226041937,1.616151017,1.281449867,1.201059465,0.69306595,0.862695033,0.444612905,0,0,165.54322,145.2240902,156.9870092,153.5979314,175.531268,165.0457118,184.917652,0,0,2.038690476,2.36875,1.8125,1.989130435,1.416666667,2,1,0,0,0.047328423,-0.011361899,-0.001123275,-0.025073475,0.020197363,-0.028795145,0.022492219,0,0,564.9747087,-53.80711511,121.066009,-753.2996116,443.9086997,-282.4873543,242.132018,0,0,1050.594596,-100.0566282,225.1274134,-1400.792795,825.4671826,-525.297298,450.2548269,0,0,0.110674667,-0.010540444,0.023716,-0.147566222,0.086958667,-0.055337333,0.047432,0,0,4.696646663,-0.447299682,1.006424285,-6.26219555,3.690222378,-2.348323331,2.01284857,0,0,25.51225921,-2.429738973,5.466912688,-34.01634562,20.04534652,-12.75612961,10.93382538,0,0,6.142857143,-2.272959184,1.915816327,-5.24744898,5.908163265,-5.234693878,1.859693878,0,0,0.002253734,-5.68E-04,-3.12E-05,-5.45E-04,3.06E-04,-0.001199798,0.001249568,0,0,26.90355756,-2.690355756,3.362944694,-16.37607851,6.725889389,-11.77030643,13.45177878,0,0,50.0283141,-5.00283141,6.253539262,-30.45201728,12.50707852,-21.88738742,25.01415705,0,0,0.005270222,-5.27E-04,6.59E-04,-0.003207961,0.001317556,-0.002305722,0.002635111,0,0,0.223649841,-0.022364984,0.02795623,-0.136134686,0.05591246,-0.097846805,0.111824921,0,0,1.214869486,-0.121486949,0.151858686,-0.739485774,0.303717372,-0.5315054,0.607434743,0,0,0.292517007,-0.113647959,0.05321712,-0.114074978,0.089517625,-0.218112245,0.103316327,0,0,-0.252068284,-0.01384462,-0.241854376,0.135783814,-0.532359834,0.554443197,0,0,-0.1,0.125,-0.608695652,0.25,-0.4375,0.5,0,0,-0.1,0.125,-0.608695652,0.25,-0.4375,0.5,0,0,-0.1,0.125,-0.608695652,0.25,-0.4375,0.5,0,0,-0.1,0.125,-0.608695652,0.25,-0.4375,0.5,0,0,-0.1,0.125,-0.608695652,0.25,-0.4375,0.5,0,0,-0.388517442,0.181928295,-0.38997725,0.30602537,-0.745639535,0.353197674,0,0,1.541805653,0.901827926,1.227291789,0.581584642,2.021203139,0.186066534,0,0,1.5,1.011904762,1.770186335,0.454545455,1.339285714,0,0,0,1.5,1.011904762,1.770186335,0.454545455,1.339285714,0,0,0,1.5,1.011904762,1.770186335,0.454545455,1.339285714,0,0,0,1.5,1.011904762,1.770186335,0.454545455,1.339285714,0,0,0,1.5,1.011904762,1.770186335,0.454545455,1.339285714,0,0,0,1.75,0.565245478,1.34036906,0.373062016,2.848837209,0,0,0,25.28522245,12.64261122,19.04265796,25.28522245,3.612174635,12.6426203,5.33E-15,0.051037396,0.007291057,-2.08263766,21.45879418,3.065542026,2.146294183,25.28522245,12.64261122,19.04265796,25.28522245,3.612174635,12.6426203,5.33E-15,0.051037396,0.007291057,-2.08263766,21.45879418,3.065542026,2.146294183,25.28522245,12.64261122,19.04265796,25.28522245,3.612174635,12.6426203,5.33E-15,0.051037396,0.007291057,-2.08263766,21.45879418,3.065542026,2.146294183,25.28522245,12.64261122,19.04265796,25.28522245,3.612174635,12.6426203,5.33E-15,0.051037396,0.007291057,-2.08263766,21.45879418,3.065542026,2.146294183,25.28522245,12.64261122,19.04265796,25.28522245,3.612174635,12.6426203,5.33E-15,0.051037396,0.007291057,-2.08263766,21.45879418,3.065542026,2.146294183,25.28522245,12.64261122,19.04265796,25.28522245,3.612174635,12.6426203,5.33E-15,0.051037396,0.007291057,-2.08263766,21.45879418,3.065542026,2.146294183,39.743938,19.63982614,30.23433399,39.41230535,5.630329335,19.63982615,-0.464285714,0.009633875,0.001376268,-3.249728842,18.78611619,2.683730885,2.053182668,0,11.79,12.21004853,-0.306698538,0.113536538,5.285170073,8.669503307,6,20,19,19,5,1,1,0,0,1,15.304898,3.571990513,3.086096242,2.333552793,2.333552793,2.081602508,0.968947737,0.462532469,0.083923071,1.924371986,1.567242636,1.249629723,1.249629723,0.985587762,0.358274801,0.083923071,0.083923071,3.594507583,3.117441122,2.405454588,2.405454588,2.149106565,1.087479385,0.568708837,0.270913902,1.870385549,1.495994651,1.134540686,1.134540686,0.86837619,0.198831496,0.270913902,0.270913902,3.695651842,3.258166219,2.704236987,2.704236987,2.437463642,1.565243433,0.966353878,0.943918427,1.716263563,1.286682201,0.76031856,0.76031856,0.492763459,0.348503915,0.943918427,0.943918427,3.611209759,3.140712048,2.457539916,2.457539916,2.198508613,1.17271113,0.643019113,0.399277246,1.836415191,1.45056785,1.058262671,1.058262671,0.791052675,0.091015967,0.399277246,0.399277246,3.746179623,3.327894888,2.838982085,2.838982085,2.570835787,1.770550101,1.207644823,1.207644823,1.6696926,1.222140369,0.631337262,0.631337262,0.366077787,0.548585918,1.124443729,1.207644823,3.58319263,3.270969672,2.514291495,2.514291495,2.242408973,1.273086931,0.560198167,0.509090909,1.914073143,1.332855862,0.987018768,0.987018768,0.699154765,0.016227396,0.509090909,0.509090909,0,0,1,1,0,3,1,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.560660172,0.353553391,0,0,0.75,1,0.25,0.612372436,0.637136847,0.144337567,5.914213562,3.060660172,3.310660172,1,0.75,0,0,0,0.844887652,0.510110029,0.413832521,0.25,0.25,0,0,0,5.491563832,2.670049972,3.053459452,0.756710003,0.433012702,0,0,0,0.784509119,0.445008329,0.381682431,0.189177501,0.144337567,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,4,1,0,2,0,0,0,0,0,0,0,0,3,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.604375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.376597222,0.312847222,0,0,0.967152778,0.290277778,0,0.689444444,0,0,0,0,0,0,0,0,6.609166667,3.646041667,1.104166667,0,1.958333333,0,0,0,0,0,0,0,0.432291667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.958333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.376597222,0.312847222,0,0,0.225625,0.290277778,0,0.312847222,0,0,0,0,0,0,0,0,2.203055556,3.646041667,1.104166667,0,1.958333333,0,0,0,0,0,0,0,0.432291667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.646041667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.376597222,0.312847222,0,0,0.290277778,0.290277778,0,0.376597222,0,0,0,0,0,0,0,0,2.203055556,3.646041667,1.104166667,0,1.958333333,0,0,0,0,0,0,0,0.432291667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.75,1.964285714,0.376597222,3.646041667,0.043402778,0.432291667,5.201054375,0.817708333,0.646041667,2.510416667,0.817708333,0.646041667,2.510416667,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.57143,0,0.14286,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.4148,0.9164,7.77542,1.36063,0.19438,2.49578,0.35654,3.06066,0.56488,0.0807,0.35334,0.05048,0.35334,0.05048,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.127387765,2.616878732,2.616878732,2.407720759,1.666326964,19.28421252,44.67514307,54.95445336,54.95445336,50.56213594,34.99286625,0.209068641,0.484342902,0.595785432,0.595785432,0.548166384,0.379373074,3.474021589,2.264929658,1.775438691,1.775438691,1.984596664,2.725990459,0.209068641,0.484342902,0.595785432,0.595785432,0.548166384,0.379373074,6.73287657,15.74885826,16.24217951,16.24217951,13.73228384,8.386886556,27.64912502,18.81705526,18.45511557,18.45511557,17.20016773,14.04411636,7,2.34375,6,7,2,5,2.23,1.0519,2.121320344,3.746748298,0,3.039342743,1,0,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.159,0.147,0.088,0.146,2.748,8,4,3,0,0,0,0,0,0,28,2.079441542,2.302585093,1.791759469,1.945910149,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,3,0.666666667,0.375,0,0,0,0,0,0,0,0.5,0.083333333,0.09375,0,0,0,0,0,0,0,0.677083333,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,0,126.9918924,3.807354922,3.36729583,3.970291914,4.812184355,5.433722004,6.285998095,6.91274282,7.767687277,8.395929104,9.25157828,69.19742968,2.564949357,0,3.80666249,0,5.198497031,0,6.650279049,0,8.123557835,8.386628821,98.10955045,4.671883355,12.44898539,1.778426484,0,0,0,46,4,3.933,28,1.2236,2.128188124,2.970473092,3.44893478,4.331238695,5.292209298,0,0,0,0,73.7959167,92.45740652,71.55148762,40.71533997,37.91829455,5.377223348,0,0,0,0,278.2003652,367.6302961,409.6035711,249.780336,387.4331452,164.5016813,0,0,0,0,8.897867644,15.15715904,21.16611167,23.6410227,30.3055715,35.55551765,0,0,0,0,2.110244062,2.919058182,3.627428368,2.514217988,3.94725971,2.352984549,0,0,0,0,175.6104775,329.1751612,455.1187844,601.8497258,704.8365256,978.6229174,0,0,0,0,2.94860625,4.05651428,5.975052415,5.116002123,9.120423327,5.292209298,0,0,0,0,0.43759575,0.611536828,0.772251791,0.550477804,0.859351058,0.541922232,0,0,0,0,348.0904295,152.1005579,10.46954152,120.9515135,-52.85061331,-7.64113451,227.138916,204.9511712,18.11067603,0.742130709,0.324279225,0.02232112,0.257869291,-0.112677798,-0.016290941,163.2690114,71.34154122,4.910654099,56.73133291,-24.78915435,-3.584012578,0.129639694,0.234836511,1.580210459,6.055939105,469.041943,0,1,0,393.1393776,19.82774263,7.32569526,529.3948196,23.00858143,8.089590956,657.1045344,25.63405029,8.693836893,1.544623655,1.281441922,322.5246562,317.8674282,116.173385,1.014651479,2.776235332,2.736146735,3.824577987,3.477616438,6.522110511,0.875454245,4.149594424,4.863415982,3.404129819,16.62774704,3.827229293,6.771185468,5.777380884,4.809792209,3.744880806,1.939333375,0.713258269,1.904596212,2.41E-10,5.90E-42,2.78E-95,2.53E-170,4.43E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348257413,4.863167282,0.194248329,8.295762281,0.811714195,0.389099397,0.401149427,0.309668544,0.864872204,0.064430472,0.035655945,0.013414227,1.70E-12,4.15E-44,1.96E-97,1.78E-172,3.12E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,1.124191339,4.86318438,0.687307528,9.694762114,1.033665749,1.36699113,0.955649968,1.061561893,1.185786022,0.272778128,0.131049703,0.139786586,1.77E-11,4.33E-43,2.04E-96,1.85E-171,3.25E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,3.916879296,4.863388847,3.150261275,16.01092474,3.503386278,6.265565312,5.256190779,4.475332768,3.47412808,1.762870371,0.656592506,1.696960935,2.15E-10,5.25E-42,2.48E-95,2.25E-170,3.95E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.656845653,4.863206114,1.073921729,10.74472327,1.302890393,2.134731333,1.497496321,1.627203204,1.485348457,0.467573355,0.209278162,0.303635144,3.85E-11,9.40E-43,4.43E-96,4.03E-171,7.06E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,5.011233796,4.863529977,4.409220899,19.03276235,5.184365492,8.773744882,7.92518417,6.115095413,4.854586561,2.662732628,0.940305734,2.777674578,3.52E-10,8.60E-42,4.05E-95,3.69E-170,6.46E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,2.26555339,3.190555999,1.355599262,10.79897481,1.637321154,3.216563717,2.184296857,2.481142198,2.420453071,0.844940477,0.288124044,0.493620969,6.25E-11,1.53E-42,7.20E-96,6.55E-171,1.15E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,3.237124687,1.205295638,1.028264292,0.591722045,0.220318977,0.409879533,0.491408057,0.408096509,5.470684617,8.469674457,17.95232991,0.387583067,1.309384099,2.690799754,0.616012449,0.568244257,0.694389819,0.158968638,0.283470647,0.128534574,0.124630254,3.87505646,3.536643189,8.353602093,0.541584729,0.536635474,2.907754366,0.850084523,0.750949283,0.644908178,0.188539468,0.330896964,0.244656478,0.217657975,4.508788172,5.293783401,11.65879578,0.467362267,0.793211418,3.223596371,1.190709496,1.016875492,0.593535026,0.21923582,0.406469698,0.479605035,0.39910662,5.43118136,8.327166264,17.66148877,0.390302539,1.285181353,3.004471714,0.954408332,0.832388433,0.627072293,0.199197423,0.353216665,0.308317299,0.267427118,4.79126848,6.162818798,13.34095515,0.44060844,0.928961082,3.279479188,1.250959997,1.063919584,0.586211811,0.223610971,0.420646874,0.529282928,0.436888866,5.594358769,8.92252025,18.88160621,0.379317717,1.386818669,3.251361799,1.188793008,1.016106066,0.595895591,0.217876864,0.413531162,0.478121732,0.398502875,5.456260872,8.376864404,17.76057455,0.393843387,1.290155769 +UMLYSI0166,L,4-methyl-1-cyclohexene,CC1CCC=CC1,cyclic alkenes,C7H12,591-47-9,11572,PubChem,,61,0,1.1748,1.38015504,32.6229,20.321516,0,0,19,7,12,0,7,0,0,0,0,0,0,0,0,0,1022.041615,1155.133903,1426.565288,1076.576093,387.593305,64.685376,3.048192,0,0,3337.623245,4341.457709,6098.843241,5827.549678,3265.869607,956.2863764,93.25123329,0,0,133.40518,138.195196,257.222816,344.4917,303.619492,135.965952,20.155392,0,0,24.85765486,32.88483172,49.47685225,52.23754716,33.9480202,11.56798372,1.333838715,0,0,3106.572317,2725.031065,5492.556811,7880.085549,7505.941516,3571.172623,554.7529561,0,0,32.52777778,39.25,63.25,77.91666667,60.33333333,24,3,0,0,53.79166395,60.79652121,39.62681356,21.97094067,8.80893875,3.2342688,1.016064,0,0,175.6643813,228.4977741,169.4123122,118.9295853,74.22430925,47.81431882,31.08374443,0,0,7.021325263,7.273431368,7.145078222,7.030442857,6.900443,6.7982976,6.718464,0,0,1.308297624,1.730780617,1.374357007,1.066072391,0.771545914,0.578399186,0.444612905,0,0,163.5038062,143.4226876,152.5710225,160.8180724,170.5895799,178.5586312,184.917652,0,0,1.711988304,2.065789474,1.756944444,1.590136054,1.371212121,1.2,1,0,0,0.039582689,-0.001341146,-0.015546466,-0.012327222,-0.001742791,0.007197649,0.003968631,0,0,535.2391977,4.76E-13,-134.8158881,-284.3877441,-47.95689553,150.2425818,49.29834716,0,0,995.3001436,-8.53E-14,-250.6959008,-528.831154,-89.17789507,279.3824965,91.67238165,0,0,0.104849684,1.51E-15,-0.026409507,-0.055709607,-0.009394427,0.02943149,0.009657208,0,0,4.449454733,4.05E-15,-1.12072732,-2.364121312,-0.398666683,1.24896975,0.409818199,0,0,24.16950873,7.99E-14,-6.087808589,-12.84194449,-2.165563752,6.784423503,2.226138962,0,0,2.631578947,-0.263157895,-0.525623269,-0.944598338,-0.053247153,0.276700523,0.194136657,0,0,0.002083299,-7.06E-05,-4.32E-04,-2.52E-04,-3.96E-05,3.60E-04,0.001322877,0,0,28.17048409,2.51E-14,-3.744885782,-5.803831513,-1.089929444,7.51212909,16.43278239,0,0,52.38421809,-4.49E-15,-6.963775023,-10.79247253,-2.026770343,13.96912482,30.55746055,0,0,0.005518404,7.93E-17,-7.34E-04,-0.001136931,-2.14E-04,0.001471575,0.003219069,0,0,0.234181828,2.13E-16,-0.031131314,-0.048247374,-0.009060606,0.062448487,0.136606066,0,0,1.272079407,4.21E-15,-0.169105794,-0.2620805,-0.049217358,0.339221175,0.742046321,0,0,0.138504155,-0.013850416,-0.014600646,-0.019277517,-0.001210163,0.013835026,0.064712219,0,0,-0.033882125,-0.207289583,-0.120758427,-0.019012578,0.172746386,0.634991342,0,0,8.89E-16,-0.132936508,-0.206025267,-0.038690476,0.266666667,0.583333333,0,0,-8.57E-17,-0.132936508,-0.206025267,-0.038690476,0.266666667,0.583333333,0,0,1.44E-14,-0.132936508,-0.206025267,-0.038690476,0.266666667,0.583333333,0,0,9.11E-16,-0.132936508,-0.206025267,-0.038690476,0.266666667,0.583333333,0,0,3.31E-15,-0.132936508,-0.206025267,-0.038690476,0.266666667,0.583333333,0,0,-0.1,-0.105416667,-0.139183673,-0.008737374,0.099888889,0.467222222,0,0,1.229597127,1.230891115,1.07613135,0.835366212,0.65334395,0.25738199,0,0,1.285714286,1.244047619,1.163265306,0.832792208,0.407142857,0,0,0,1.285714286,1.244047619,1.163265306,0.832792208,0.407142857,0,0,0,1.285714286,1.244047619,1.163265306,0.832792208,0.407142857,0,0,0,1.285714286,1.244047619,1.163265306,0.832792208,0.407142857,0,0,0,1.285714286,1.244047619,1.163265306,0.832792208,0.407142857,0,0,0,1.37,1.0925,1.10122449,0.863636364,0.684,0,0,0,24.614895,11.74659083,17.70814853,24.614895,3.516413571,11.7466246,-7.11E-15,0.071524786,0.010217827,-1.846397858,35.36741839,5.052488342,2.496053708,24.614895,11.74659083,17.70814853,24.614895,3.516413571,11.7466246,-7.11E-15,0.071524786,0.010217827,-1.846397858,35.36741839,5.052488342,2.496053708,24.614895,11.74659083,17.70814853,24.614895,3.516413571,11.7466246,-7.11E-15,0.071524786,0.010217827,-1.846397858,35.36741839,5.052488342,2.496053708,24.614895,11.74659083,17.70814853,24.614895,3.516413571,11.7466246,-7.11E-15,0.071524786,0.010217827,-1.846397858,35.36741839,5.052488342,2.496053708,24.614895,11.74659083,17.70814853,24.614895,3.516413571,11.7466246,-7.11E-15,0.071524786,0.010217827,-1.846397858,35.36741839,5.052488342,2.496053708,24.614895,11.74659083,17.70814853,24.614895,3.516413571,11.7466246,-7.11E-15,0.071524786,0.010217827,-1.846397858,35.36741839,5.052488342,2.496053708,31.65122395,14.1144668,21.52400731,31.6248634,4.517837629,14.1144712,-0.18452381,0.119565522,0.017080789,-1.486723532,63.08847788,9.012639697,2.901176706,0,11.9,12.10010405,-0.163703267,0.043969436,5.882557729,7.895632428,7,19,18,18,6,1,1,0,0,1,13.118484,3.654070868,2.961878717,2.692797761,2.163971157,1.407211911,1.010154434,0.732869898,0.083923071,1.979513556,1.48466777,1.301455562,1.029156198,0.608611649,0.374431327,0.257657191,0.083923071,3.675278003,2.994425545,2.734397571,2.230803658,1.505105098,1.125595494,0.87227568,0.270913902,1.930224776,1.405000108,1.215168311,0.91936484,0.464941106,0.216771399,0.090013197,0.270913902,3.769623985,3.143637494,2.917924989,2.511121,1.90806064,1.592792141,1.410310712,0.943918427,1.788696955,1.17444425,0.954409919,0.564090782,0.017596917,0.322537815,0.4954652,0.943918427,3.690955919,3.018755895,2.765125992,2.279391621,1.575946244,1.208716372,0.970775275,0.399277246,1.899156215,1.354435361,1.159556104,0.84673074,0.368521914,0.110289179,0.023962916,0.399277246,3.816305301,3.219266891,3.006713028,2.638528557,2.08581673,1.794485124,1.633549526,1.207644823,1.745536159,1.104978341,0.871484501,0.442408169,0.189292014,0.518799523,0.715164237,1.207644823,3.714447074,3.116424955,2.772082749,2.382334815,1.665742727,1.310427983,1.14439179,0.591549296,1.890513513,1.245821259,1.103336782,0.720013308,0.234587648,0.017476481,0.211789006,0.591549296,0,0,0,2,0,1,3,1,0,0,0,0,0.102062073,0.102062073,0,0,0,0.068041382,0.068041382,0.288675135,0,0,0,0.288675135,0,0,0,0.40824829,0.433012702,0.40824829,0.370790812,0.331927305,0.272165527,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,4.853371151,3.043676764,2.389628766,1.53125097,0.944977955,0.60069838,0.136082763,0,0.693338736,0.434810966,0.298703596,0.191406371,0.118122244,0.075087298,0.068041382,0,10.25096682,18.32702112,17.35294118,17.56,11.79132695,144.9122251,0.53952457,0.964580059,0.913312693,0.924210526,0.620596155,7.626959218,2.28879,31.885,25.81164286,34.91599912,51.62328572,7.374755103,25.81164286,0.063309915,0.009044274,-1.931799329,26.80913824,3.829876892,2.302119966,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,5,2,0,2,0,0,0,0,0,0,0,0,1,0,3,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.563657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.607013889,0,0,1.292986111,0.580555556,0,0.607013889,0,0,0,0,0,0,0,0,2.309027778,0,4.011574074,0,4.563657407,0,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.277777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.225625,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.309027778,0,1.305555556,0,2.277777778,0,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.28587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.306319444,0,0,0.290277778,0.290277778,0,0.306319444,0,0,0,0,0,0,0,0,2.309027778,0,1.399305556,0,2.28587963,0,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.69047619,0.306319444,2.309027778,0.225625,0.949074074,4.612259259,0.384259259,0.309027778,1.74537037,0.384259259,0.309027778,1.74537037,3.5,0.5,0,0,0.44737,0.7,0.43333,0.43333,0.7,0.01404,0.01404,0,0,0.71429,0,0,0.14286,0.14286,0,4.5,0.64286,3.5,0.5,1,0.14286,-2.5,-0.35714,0,0,5.59495,0.79928,6.62679,1.03183,0.1474,2.85095,0.40728,3.39384,0.54289,0.07756,0.02016,0.00288,0.10616,0.01517,0.315789474,7,0,0,0,0,0,0,0.714285714,0.949452015,2.183754832,3.260828171,3.576617645,3.576617645,3.431623566,18.03958829,41.49134181,61.95573525,67.95573525,67.95573525,65.20084775,0.223509467,0.514075352,0.767628016,0.841967673,0.841967673,0.807834775,3.298475498,2.064172682,0.987099342,0.671309869,0.671309869,0.816303948,0.219682511,0.505273291,0.754484596,0.8275514,0.8275514,0.794002929,6.790838447,17.08973949,19.33231201,20.8076436,19.65057255,19.50444389,27.3155423,17.78709831,15.55541888,13.61023202,14.79335177,15.1474069,5.142857143,2.34375,1.5,0,2,0,2.23,0.9433,0,1.850535862,1,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.111,0.108,0.338,0.369,3.335,8,8,8,8,2,0,0,0,0,48,2.197224577,2.397895273,2.48490665,2.63905733,2.772588722,1.609437912,0,0,0,0,4.234106505,1.416666667,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,0,3,4,0.333333333,1,0.444444444,0.1875,0.111111111,0,0,0,0,0,0,0.142857143,0.055555556,0.0375,0.111111111,0,0,0,0,0,0,0.34702381,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,0,114.6354337,3.807354922,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,71.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.388905171,96.09390038,5.057573704,13.67682532,1.953832189,0,0,0,42,5,3.406,30,1.281051588,2.254808579,3.066904949,3.825986133,4.854014819,6.014823744,0,0,0,0,92.07727792,101.2570853,73.58629285,37.3075768,16.25774625,6.111445873,0,0,0,0,325.8807487,413.9643752,385.3068424,300.700566,236.3042733,186.9632441,0,0,0,0,9.36305897,16.17504398,21.6197632,26.46479451,33.01913988,40.41037679,0,0,0,0,2.397154139,3.287853809,3.403697984,3.073542104,2.841246425,2.674268257,0,0,0,0,180.9041876,339.5181964,488.8692345,647.703783,865.1250013,1112.247084,0,0,0,0,2.727837359,4.094129259,5.015200031,5.402812609,5.875179008,6.014823744,0,0,0,0,0.49429836,0.688044458,0.725938016,0.671837236,0.63756331,0.615917951,0,0,0,0,270.4862842,105.8431066,9.048094419,55.88425364,-21.86788522,-4.351249479,214.6020305,127.7109918,13.3993439,0.828770532,0.324303497,0.02772338,0.171229468,-0.067003245,-0.013332237,88.27875404,34.54407162,2.953031442,18.23897392,-7.137033459,-1.420119633,0.145421045,0.224668786,4.272191121,6.210601184,326.3705378,0,1,0,423.2976476,20.57419859,7.508421046,539.9667052,23.23718368,8.143085483,663.7349019,25.76305304,8.722980168,1.85698587,1.816687252,331.2996917,245.15106,115.3064706,1.351410399,2.873209891,2.12608242,3.712701801,3.995698619,6.281368163,0.572032519,3.510268705,3.212110537,3.847999539,12.27548528,11.46019222,7.215865526,8.417714682,6.010222338,1.062051956,0.772010645,1.414137644,0.008396133,3.73E-23,3.20E-65,5.28E-129,1.68E-214,1.033E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0.294725731,3.211922925,0.403828243,4.582254276,4.07256161,0.501443234,0.43891349,1.251904842,0.060579458,0.044526009,0.00995989,5.91E-05,2.63E-25,2.25E-67,3.72E-131,1.19E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,0,0.951086605,3.211935886,1.070036229,5.675642514,5.038610214,1.687289846,1.521723704,1.834349303,0.214371077,0.157087579,0.10378971,6.16E-04,2.74E-24,2.35E-66,3.88E-130,1.24E-215,7.4E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,3.313415468,3.212090089,3.62412386,11.63577705,10.8162119,6.739469082,7.736160481,5.581366524,0.982831216,0.714762456,1.259971183,0.007480803,3.32E-23,2.85E-65,4.70E-129,1.50E-214,9.2E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,1.401657768,3.211952306,1.538299985,6.567839814,5.862680838,2.556180629,2.427108149,2.349630717,0.334977377,0.245026984,0.225445112,0.001338531,5.95E-24,5.09E-66,8.42E-130,2.68E-215,1.63E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,4.239127636,3.212196424,4.691700433,14.83562188,14.06223932,9.053940703,11.16045106,7.754265789,1.37570765,0.998408557,2.062386841,0.012244971,5.44E-23,4.66E-65,7.70E-129,2.45E-214,1.507E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,2.098951041,2.816337847,2.497674507,7.628706238,7.308721849,3.691366666,3.936646981,3.698052866,0.613333894,0.448067974,0.494850005,0.002938064,1.31E-23,1.12E-65,1.85E-129,5.89E-215,3.6E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,3.184728425,1.665368617,0.527461401,0.592225721,0.309688613,0.48546248,0.489082904,0.33856081,5.377558443,7.861985752,16.0370659,0.388338581,1.313106195,2.434727223,1.04929451,0.151887415,0.66963368,0.28859206,0.282368262,0.193565395,0.027864908,3.635909149,3.083924966,7.107867868,0.50445052,0.503798564,2.717706476,1.283057414,0.294073085,0.632784548,0.298744148,0.352297123,0.289960048,0.104828639,4.294836974,4.663490421,9.983752433,0.449176823,0.747085811,3.164587316,1.648962797,0.517424943,0.593622608,0.309317297,0.479257687,0.479490599,0.325756709,5.330975055,7.708937642,15.73998442,0.390433912,1.284504995,2.849953644,1.391735847,0.36031117,0.619285796,0.302419741,0.387745611,0.341353014,0.157576955,4.602000661,5.494710751,11.52584338,0.428928695,0.88667558,3.248347164,1.717143401,0.559147442,0.587974662,0.31081555,0.505336944,0.51996642,0.380609401,5.524638006,8.35431924,16.9978134,0.381961993,1.405912764,3.180679359,1.648412479,0.517925887,0.594851097,0.308286332,0.484019417,0.479216663,0.326421149,5.347017725,7.744183223,15.80672343,0.392276645,1.289657229 +UMLYSI0167,L,"2,3,4-trimethylpentane",CC(C)C(C)C(C)C,linear alkanes,C8H18,565-75-3,11269,PubChem,,60.9,0,1.2792,1.63635264,37.0709,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1604.188161,1631.4554,1098.934372,339.341184,36.578304,0,0,3947.642614,5029.877407,7031.587075,8276.550291,7433.630806,4245.698526,1119.0148,0,0,181.25648,180.900988,339.464772,445.008032,563.450512,493.30944,241.864704,0,0,30.31423229,39.56609758,58.49435701,72.18430316,72.14804988,48.06648287,16.00606457,0,0,4342.872585,3643.766351,7589.85513,9976.611746,13474.03246,12550.98844,6657.035473,0,0,43.33333333,50.88888889,76.11111111,106.3333333,125,96,36,0,0,45.09238923,49.11105724,33.42058669,25.89611746,13.56709101,4.713072,1.016064,0,0,151.8324082,201.1950963,146.4913974,131.3738141,91.77321982,58.96803508,31.08374443,0,0,6.971403077,7.23603952,7.07218275,7.063619556,6.95617916,6.85152,6.718464,0,0,1.165932011,1.582643903,1.218632438,1.14578259,0.890716665,0.66759004,0.444612905,0,0,167.033561,145.7506541,158.1219819,158.3589166,166.3460797,174.3192839,184.917652,0,0,1.666666667,2.035555556,1.585648148,1.687830688,1.543209877,1.333333333,1,0,0,0.035356454,-0.008760398,0.003804151,-0.009513052,-0.015444237,-0.007079366,0.019314675,0,0,670.5194345,-58.02572029,75.2185263,-320.9323789,-375.3762646,-68.77122405,412.6273443,0,0,1246.859521,-107.9013047,139.8720616,-596.7874628,-698.0281931,-127.8830278,767.2981665,0,0,0.131350154,-0.01136684,0.014734793,-0.06286845,-0.073533633,-0.013471811,0.080830864,0,0,5.574042193,-0.482369036,0.625293195,-2.667917631,-3.1205108,-0.571696635,3.430179811,0,0,30.27828566,-2.620236259,3.396602558,-14.49217091,-16.95066419,-3.105465196,18.63279117,0,0,3.948717949,-2.318211703,1.12886259,-0.08086785,-0.917159763,-1.704142012,1.917159763,0,0,0.001359864,-3.50E-04,7.93E-05,-1.51E-04,-1.91E-04,-9.83E-05,5.37E-04,0,0,25.78920902,-2.321028812,1.567052631,-5.094164744,-4.634274872,-0.95515589,11.46187067,0,0,47.95613541,-4.316052187,2.914001283,-9.472816871,-8.617632014,-1.776153163,21.31383796,0,0,0.005051929,-4.55E-04,3.07E-04,-9.98E-04,-9.08E-04,-1.87E-04,0.002245302,0,0,0.214386238,-0.019294761,0.013026942,-0.042347899,-0.038524825,-0.007940231,0.095282773,0,0,1.164549448,-0.10480945,0.070762553,-0.230034459,-0.209267459,-0.043131461,0.517577533,0,0,0.151873767,-0.092728468,0.023517971,-0.001283617,-0.01132296,-0.023668639,0.053254438,0,0,-0.257684617,0.058280223,-0.111041158,-0.140212289,-0.072304702,0.394538657,0,0,-0.09,0.060763889,-0.197530864,-0.179698217,-0.037037037,0.444444444,0,0,-0.09,0.060763889,-0.197530864,-0.179698217,-0.037037037,0.444444444,0,0,-0.09,0.060763889,-0.197530864,-0.179698217,-0.037037037,0.444444444,0,0,-0.09,0.060763889,-0.197530864,-0.179698217,-0.037037037,0.444444444,0,0,-0.09,0.060763889,-0.197530864,-0.179698217,-0.037037037,0.444444444,0,0,-0.610562771,0.154852092,-0.008451866,-0.074555075,-0.155844156,0.350649351,0,0,1.79331324,0.958682833,1.257129627,1.145383691,0.863543717,0,0,0,1.625,1.128472222,1.36133157,1.114540466,0.752314815,0,0,0,1.625,1.128472222,1.36133157,1.114540466,0.752314815,0,0,0,1.625,1.128472222,1.36133157,1.114540466,0.752314815,0,0,0,1.625,1.128472222,1.36133157,1.114540466,0.752314815,0,0,0,1.625,1.128472222,1.36133157,1.114540466,0.752314815,0,0,0,2.222943723,0.64484127,1.105442177,1.14638448,1.055194805,0,0,0,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,33.61580097,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,3.55E-15,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,47.4718515,23.57967575,35.53737955,47.2374765,5.904684562,23.57967575,-0.3125,3.33E-16,4.16E-17,-28.51055062,3000010.151,375001.2689,11.93130098,0,11.89,12.11011416,-0.163300419,0.057616875,6.064293842,8.899505149,7,25,25,25,7,0,0,0,0,0,19.677726,3.591951482,3.112599877,2.66223033,2.333552793,2.333552793,1.72757817,1.162837791,0.754694535,1.955119619,1.667247237,1.416069281,1.249629723,1.249629723,0.766521467,0.440344289,0.263051868,3.615591378,3.150713835,2.717732252,2.405454588,2.405454588,1.811000298,1.269690916,0.891155794,1.900329579,1.58857667,1.316029648,1.134540686,1.134540686,0.639289243,0.290000277,0.096175644,3.720996265,3.318028628,2.955102187,2.704236987,2.704236987,2.155018735,1.702702127,1.421438811,1.742324782,1.351217995,1.000891147,0.76031856,0.76031856,0.218931367,0.218324093,0.485265005,3.633084654,3.178805544,2.758321103,2.457539916,2.457539916,1.871324488,1.346550641,0.987848484,1.865714252,1.537907807,1.250496515,1.058262671,1.058262671,0.55445731,0.188893887,0.01719833,3.77319421,3.398793114,3.065768217,2.838982085,2.838982085,2.308177628,1.891182114,1.642628118,1.694062871,1.275766962,0.896165167,0.631337262,0.631337262,0.071596323,0.40108138,0.702635479,3.585679854,3.228626935,2.873197549,2.612600818,2.612600818,1.920880507,1.392442227,1.076301453,1.901729854,1.471882946,1.122645664,0.898315104,0.898315104,0.472596472,0.101567168,0.136150722,0,0,0,0,0,5,0,3,0,0,0,0,0,0,0,0,0,0,0,0.859116756,0,0.384900179,0,0.859116756,0,0.384900179,0,1.821367205,1.539600718,0.962250449,1.821367205,1.539600718,0.962250449,6.732050808,3.553418013,3.347150628,2.103133692,0.769800359,0,0,0,0.841506351,0.507631145,0.371905625,0.262891712,0.19245009,0,0,0,6.732050808,3.553418013,3.347150628,2.103133692,0.769800359,0,0,0,0.841506351,0.507631145,0.371905625,0.262891712,0.19245009,0,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,2.9345,38.84,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,43,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,11.44444444,0,0,0,0,0,2.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.282407407,0,0,0,0,0,0.842592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.314814815,0,0,0,0,0,0.87037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,1.75,0.2,2.314814815,0.2,0.842592593,6.030111111,0.490740741,0.314814815,2.888888889,0.490740741,0.314814815,2.888888889,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.625,0.375,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.55523,1.1944,9.55523,0,0,3.5534,0.44417,3.5534,0,0,0.3606,0.04508,0.3606,0.04508,0,7,0,0,0,0,0,0,1,0.89049164,1.184163641,1.740136375,1.77301149,1.902043713,1.574415253,23.15278265,30.78825467,45.24354576,46.09829873,49.45313654,40.93479657,0.189448582,0.251926141,0.370207147,0.377201197,0.404652294,0.334950632,3.809948078,3.516276077,2.960303343,2.927428228,2.798396005,3.126024465,0.191756937,0.254995761,0.374717972,0.381797243,0.40958282,0.339031871,6.648700044,10.17276405,11.8977875,11.12758867,11.59979807,6.153459083,31.72521615,26.80381852,26.16837625,27.36150411,22.46306766,17.79661485,8,3.111111111,2.8125,8,0,5,2.34,1.2358,3.221970075,0,8.480997324,0,0,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.139,0.124,0.01,-0.005,3.082,9,8,4,0,0,0,0,0,0,36,2.079441542,2.302585093,2.197224577,1.609437912,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,7,1,0,2,4,1,2.5,1.333333333,0.5,0,0,0,0,0,0,0,0.357142857,0.148148148,0.0625,0,0,0,0,0,0,0,0.567791005,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,0,146.9243357,4,3.496507561,4.204692619,4.976733742,5.713732806,6.487684018,7.229113878,8.004031508,8.746239288,9.521421538,73.38015696,2.708050201,0,3.931825633,0,5.332718793,0,6.801283034,0,8.297792626,8.554681636,114.1408506,4.390032714,14.33508904,1.79188613,0,0,0,65,8,4.709,32,1.2278,2.116269588,2.915232297,3.514234478,4.183463302,4.602106348,0,0,0,0,71.2221278,80.91086417,83.76920885,52.57707077,20.23817261,4.676034585,0,0,0,0,272.5498825,338.9957227,405.2777769,342.3104382,250.6217732,143.0506976,0,0,0,0,8.919363223,15.03189788,20.63719263,24.51392231,28.68184089,30.91908583,0,0,0,0,2.081648384,2.755510686,3.472185601,3.268709371,2.824274031,2.046155872,0,0,0,0,176.77647,329.9425416,458.4896421,579.3239784,727.7641558,851.0107003,0,0,0,0,2.542551111,3.495429444,5.046591668,5.593293361,5.624944824,4.602106348,0,0,0,0,0.4321989,0.579653059,0.736653075,0.706441499,0.6267345,0.47125569,0,0,0,0,374.0838362,163.4194675,8.966252161,105.4473283,-46.06493138,-6.117182888,268.6365079,209.4843989,15.08343505,0.780103284,0.340790087,0.018697955,0.219896716,-0.096062435,-0.012756591,179.3848576,78.36472757,4.299597341,50.56528016,-22.08957019,-2.933379834,0.06890302,0.142648544,1.012119214,6.814392482,479.5311646,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,795.6535896,28.2073322,9.266335254,1.229211372,1.011517918,455.1651294,307.5635354,187.0005608,1.479906026,2.434030826,1.644719856,4.043186758,3.22022378,6.424248771,0.99496967,5.020218391,6.682925857,3.075208294,30.0765073,6.811684238,3.739997043,10.36730004,22.56842953,7.993492681,6.855421146,1.605937463,1.126710556,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.421311494,6.642958761,0.181761173,10.80093783,2.032005543,0.169641049,0.845166273,1.149881212,1.08390685,0.085428216,0.011311817,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.360045288,6.651073579,0.63703648,13.43827702,2.371957712,0.64255922,2.347647934,4.12185993,1.708023462,0.59858162,0.117869469,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.7386762,6.680463775,2.850195102,28.43755888,6.294192446,3.430904925,9.628283833,20.76192645,7.292333973,6.133633302,1.430862103,1.00387882,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.004456949,6.656657009,0.989753637,15.63389782,2.794071409,1.043175107,3.510052593,6.577720205,2.369921916,1.208794159,0.256025607,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.062642864,6.692059238,3.962693228,36.66585554,8.983061505,4.987201836,13.28075925,29.8194448,10.90539623,9.876831019,2.342105377,1.643201455,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.09636808,5.258962225,1.301760281,18.62681102,3.769539692,1.823588774,5.347271606,10.64121537,3.94758552,2.396269649,0.524392281,0.367905488,2.62E-15,3.60E-51,9.54E-109,4.88E-188,4.81E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.201630821,2.138835353,0.5775025,0.541001651,0.361413767,0.489947275,0.527787822,0.486640039,5.917968674,9.931893753,19.80446163,0.353623127,1.504375135,2.521880782,1.465779915,0.173071123,0.606114715,0.352288967,0.303987654,0.247746037,0.043959465,4.16073182,4.386671113,9.187164181,0.437605523,0.595693156,2.802046377,1.743168211,0.339779506,0.573602818,0.356841416,0.37528178,0.350468208,0.169000674,4.884994094,6.428808937,12.97343502,0.395666351,0.894750661,3.185793906,2.123152879,0.568081529,0.542075644,0.361263,0.485112199,0.520070339,0.470947896,5.877028313,9.779842108,19.4993327,0.355007965,1.476130434,2.922486837,1.862423109,0.411437443,0.562411752,0.358410046,0.408236629,0.400100005,0.247548071,5.19634739,7.411598135,14.84736127,0.381232697,1.055884705,3.250907452,2.187631819,0.606815509,0.537752964,0.361869882,0.505144994,0.552165008,0.537100221,6.04535478,10.41197856,20.77287695,0.349434269,1.594410223,3.193883018,2.130491979,0.568233896,0.542015103,0.361553264,0.487578843,0.523681574,0.471113904,5.892608893,9.830032499,19.58921289,0.355352551,1.482374321 +UMLYSI0168,L,ethylcyclohexane,CCC1CCCCC1,cyclic alkanes,C8H16,1678-91-7,15504,PubChem,,60.7,0,-0.8956,0.80209936,29.2515,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1670.734305,1449.939631,815.395899,344.245273,76.792464,6.096384,0,3885.475125,5223.921076,7533.504307,7736.008113,5561.508657,2962.341864,1071.022993,186.5024666,0,167.819552,174.20624,341.85978,482.900092,437.30526,308.741284,143.083584,40.310784,0,29.42500648,40.12790896,62.50794544,69.83196788,54.44248504,31.71690749,12.68152803,2.667677429,0,3973.037281,3464.315612,7399.084504,11271.42137,10553.38416,7818.039585,3724.295171,1109.505912,0,35.27777778,43.33333333,74.16666667,95.33333333,84.41666667,56,24.5,6,0,48.76541633,56.15943233,34.80696469,21.01361784,12.94279205,7.649894956,3.656784,1.016064,0,161.8947969,217.6633782,156.9480064,112.1160596,88.2779152,65.8298192,51.00109489,31.08374443,0,6.992481333,7.258593333,7.12207875,6.998552058,6.941353333,6.860917422,6.813504,6.718464,0,1.226041937,1.671996207,1.302248863,1.012057505,0.864166429,0.704820166,0.603882287,0.444612905,0,165.54322,144.3464838,154.1475938,163.3539329,167.5140344,173.734213,177.3473891,184.917652,0,1.469907407,1.805555556,1.545138889,1.381642512,1.33994709,1.244444444,1.166666667,1,0,0.032865025,-0.001666055,-0.011594894,-0.005843866,-0.007829465,0.003877311,0.002993426,0.003631031,0,645.6853813,6.61E-13,-201.7766817,-161.4213453,-201.7766817,80.71067267,80.71067267,80.71067267,0,1200.679538,0,-375.2123557,-300.1698846,-375.2123557,150.0849423,150.0849423,150.0849423,0,0.126485333,2.94E-15,-0.039526667,-0.031621333,-0.039526667,0.015810667,0.015810667,0.015810667,0,5.367596186,1.23E-14,-1.677373808,-1.341899046,-1.677373808,0.670949523,0.670949523,0.670949523,0,29.15686767,-1.14E-13,-9.111521147,-7.289216918,-9.111521147,3.644608459,3.644608459,3.644608459,0,1.828703704,-0.347222222,-0.601851852,0.052662037,-0.337384259,0.071180556,0.052662037,0.195601852,0,0.001369376,-6.94E-05,-2.42E-04,-8.47E-05,-1.24E-04,8.62E-05,1.43E-04,6.05E-04,0,26.90355756,2.75E-14,-4.203680868,-2.339439787,-3.202804471,1.793570504,3.843365365,13.45177878,0,50.0283141,0,-7.816924078,-4.350288182,-5.955751678,3.33522094,7.146902014,25.01415705,0,0.005270222,1.22E-16,-8.23E-04,-4.58E-04,-6.27E-04,3.51E-04,7.53E-04,0.002635111,0,0.223649841,5.11E-16,-0.034945288,-0.019447812,-0.026624981,0.014909989,0.031949977,0.111824921,0,1.214869486,-4.74E-15,-0.189823357,-0.105640825,-0.14462732,0.080991299,0.173552784,0.607434743,0,0.076195988,-0.014467593,-0.01253858,7.63E-04,-0.005355306,0.00158179,0.002507716,0.032600309,0,-0.050693872,-0.17640172,-0.061848398,-0.090754632,0.062920968,0.104094184,0.44193255,0,1.02E-15,-0.15625,-0.086956522,-0.119047619,0.066666667,0.142857143,0.5,0,0,-0.15625,-0.086956522,-0.119047619,0.066666667,0.142857143,0.5,0,2.32E-14,-0.15625,-0.086956522,-0.119047619,0.066666667,0.142857143,0.5,0,2.29E-15,-0.15625,-0.086956522,-0.119047619,0.066666667,0.142857143,0.5,0,-3.90E-15,-0.15625,-0.086956522,-0.119047619,0.066666667,0.142857143,0.5,0,-0.189873418,-0.164556962,0.010016511,-0.070283303,0.020759494,0.032911392,0.427848101,0,1.489122222,1.312816003,1.010163939,1.001251096,0.723011392,0.566900348,0.004224615,0,1.4375,1.34765625,1.0625,0.992559524,0.670833333,0.513392857,0,0,1.4375,1.34765625,1.0625,0.992559524,0.670833333,0.513392857,0,0,1.4375,1.34765625,1.0625,0.992559524,0.670833333,0.513392857,0,0,1.4375,1.34765625,1.0625,0.992559524,0.670833333,0.513392857,0,0,1.4375,1.34765625,1.0625,0.992559524,0.670833333,0.513392857,0,0,1.688607595,1.135443038,0.802531646,1.045328511,0.943291139,0.823508137,0,0,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,32.85457982,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,7.11E-15,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,36.08995721,17.89017551,26.87195345,36.04308221,4.505385276,17.89017558,-0.09375,0.061027138,0.007628392,-2.237149297,50.07914531,6.259893164,3.130883728,0,11.9,12.10012615,-0.151273816,0.048868363,5.483683559,8.440005411,8,24,24,24,8,0,0,0,0,0,17.491312,3.638638944,3.100978895,2.750129472,2.552099332,1.716672328,1.456797487,1.243289836,0.880330962,2.002253948,1.648590297,1.372874417,1.256911807,0.816601941,0.666206401,0.560038642,0.34407524,3.663136432,3.138355093,2.792995694,2.602603315,1.804832855,1.556142907,1.35571534,1.01303218,1.948817412,1.57043837,1.285229005,1.161173652,0.682374106,0.522081792,0.407714027,0.181674237,3.770748098,3.302851471,2.981537655,2.821160048,2.16948975,1.9628467,1.806651079,1.526992008,1.792228366,1.335571047,1.018928274,0.863796018,0.237288442,0.037619229,0.111876679,0.382625301,3.681174793,3.165923945,2.824624264,2.639679926,1.868680449,1.62787375,1.436300009,1.106883605,1.914853167,1.520179056,1.228596505,1.098791895,0.592726987,0.425347018,0.304963532,0.071464617,3.823158968,3.38252605,3.072480534,2.924462786,2.331931225,2.141548494,2.000733801,1.741325713,1.743488171,1.261232024,0.933903671,0.766506013,0.080989445,0.135164289,0.30076327,0.593182778,3.68982186,3.277623729,2.872367319,2.74133094,2.021881544,1.76481714,1.589106111,1.273980694,1.885854115,1.399854449,1.143195518,0.960854844,0.406220799,0.250745698,0.11803023,0.123015505,0,0,0,0,0,1,6,1,0,0,0,0,0.102062073,0.072168784,0,0,0,0.102062073,0.072168784,0.204124145,0,0,0,0.204124145,0,0,0,0.49279928,0.594861352,0.49279928,0.49279928,0.594861352,0.49279928,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.9767,36.866,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,1,0,6,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,2.315462963,0,8.931064815,0,0,0,1.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.315462963,0,1.416666667,0,0,0,1.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.315462963,0,1.510416667,0,0,0,1.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.33333333,1.541666667,0.2,2.315462963,0.2,1.086805556,5.766945602,0.246527778,0.315462963,0.672592593,0.246527778,0.315462963,0.672592593,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.125,0.125,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,8.02289,1.00286,8.02289,0,0,3.93185,0.49148,3.93185,0,0,-0.01785,-0.00223,0.06815,0.00852,0.25,8,0,0,0,0,0,0,1,0.918295834,1.272055209,2.177694271,2.803508855,3.022055209,2.621653522,22.03910002,30.52932501,52.26466251,67.28421252,72.52932501,62.91968454,0.200284263,0.277440701,0.474964467,0.611457314,0.659123212,0.571793885,3.666666667,3.312907292,2.40726823,1.781453646,1.562907292,1.963308978,0.200284263,0.277440701,0.474964467,0.611457314,0.659123212,0.571793885,6.73287657,10.97798907,14.41423191,16.87697267,15.8354706,13.2084235,31.59900002,26.53208126,23.53333386,20.31328386,21.55213073,25.91927858,6.125,3.111111111,1.8,2,0,2,2.34,1.1272,0,2.00414513,0.5,0,7.732315986,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,3.894,9,10,10,10,4,2,0,0,0,61,2.197224577,2.302585093,2.397895273,2.397895273,2.397895273,1.609437912,1.098612289,0,0,0,4.127134385,1,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.125,2,0.25,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,0,134.567877,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,112.1252005,4.671883355,15.69266546,1.961583183,0,0,0,64,7,4.491,34,1.224166127,2.09537562,2.804834728,3.523444903,4.011401076,4.603236608,5.359741897,0,0,0,78.54273178,80.84874126,62.70646424,47.75628327,32.73388417,17.49019423,5.445840791,0,0,0,289.3400736,350.3255304,329.6663809,316.3518511,273.0975439,239.7266082,166.6008473,0,0,0,8.917064339,14.9674467,19.68213687,24.4661223,27.55517836,31.38782208,36.00923299,0,0,0,2.17096299,2.856190846,2.94495335,3.074689391,2.892108438,2.819447784,2.383010414,0,0,0,174.752874,319.8998773,454.1517758,589.6546239,694.3347566,814.4881079,991.1108871,0,0,0,2.26269873,3.307614664,3.947346105,4.726698278,5.046382926,5.425946435,5.359741897,0,0,0,0.449298446,0.600529567,0.629752844,0.666959671,0.636627062,0.630335141,0.54883757,0,0,0,333.4456336,138.8618521,8.651530001,82.80429929,-34.48345759,-4.414359259,250.6413343,173.3453097,13.06588926,0.80107072,0.333602101,0.02078446,0.19892928,-0.082843155,-0.010605069,138.7967226,57.80123662,3.601198782,34.46728402,-14.35373691,-1.837476745,0.071732167,0.155914138,1.261555649,1.235628924,416.2499329,0,1,0,558.7220361,23.63730179,8.23629576,713.7146134,26.71543774,8.93665234,939.6153436,30.65314574,9.79452472,1.415868361,1.241251818,355.1804338,291.6071816,145.3204218,1.218009899,2.444119206,2.006649706,3.71989429,3.779648656,6.126310731,0.620867781,5.243051683,6.014024931,8.513915367,13.18809304,17.55879253,12.43889378,9.700408074,7.298739803,6.162004989,0.651560198,1.479305349,8.62E-07,7.06E-34,1.12E-82,3.40E-153,2.00E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380612772,5.574192587,0.653170922,4.643853419,0.976697237,1.702879483,1.183325619,0.799535726,0.266661521,0.007844858,0.010418869,6.07E-09,4.97E-36,7.86E-85,2.40E-155,1.41E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.266797814,5.603583911,2.124525578,5.393484148,3.427454621,3.385652578,1.940256922,1.451372632,1.025859602,0.056185781,0.108572643,6.32E-08,5.18E-35,8.19E-84,2.50E-154,1.47E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.907756237,5.965735494,7.985567707,12.31322416,16.21322965,11.60168985,8.831745494,6.662145119,5.643964643,0.582770263,1.318034433,7.68E-07,6.29E-34,9.94E-83,3.03E-153,1.78E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.906711325,5.641690531,3.17411155,6.203349214,5.387147199,4.691860079,2.751319974,2.099197116,1.678907721,0.114031088,0.235834289,1.37E-07,1.13E-34,1.78E-83,5.42E-154,3.19E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.527214959,6.217075305,10.52364848,16.8267774,22.91597208,15.74300603,13.3109542,9.926809821,8.258486401,0.939619583,2.157427824,1.26E-06,1.03E-33,1.63E-82,4.96E-153,2.92E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.301511198,5.560300223,5.236860804,8.436831646,9.662088603,7.782191242,5.078698126,4.016452652,3.361698908,0.283109622,0.622410432,3.63E-07,2.97E-34,4.70E-83,1.43E-153,8.42E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.889365727,1.485315347,0.834371974,0.554681571,0.285141144,0.50704049,0.542585153,0.434089471,5.209053049,7.941730544,16.73159043,0.332022356,1.483715113,2.241579503,0.932625616,0.366139398,0.63315293,0.263427927,0.306404037,0.213186479,0.083386356,3.540344517,3.252756015,7.558534884,0.449729395,0.602976873,2.498542509,1.152109781,0.552449091,0.594452116,0.274109444,0.37996846,0.325837073,0.1902391,4.203101381,4.895394803,10.68877352,0.391678174,0.896044633,2.873297956,1.471630168,0.822812403,0.556006622,0.284772457,0.501454206,0.53259703,0.422162277,5.167740527,7.803492705,16.45043949,0.334009934,1.456213513,2.613220814,1.249955745,0.635342836,0.580906868,0.277859366,0.415352855,0.38376552,0.251715999,4.498519395,5.72085192,12.29466174,0.371360302,1.050834374,2.939678728,1.528160414,0.870552383,0.550667502,0.286258587,0.524733949,0.57445701,0.4724786,5.338391524,8.381788671,17.63096324,0.326001254,1.571669558,2.882852765,1.474154767,0.82555369,0.556260243,0.28444522,0.504634157,0.534419918,0.424939618,5.182561222,7.846714793,16.53769027,0.334390365,1.463993693 +UMLYSI0169,L,"2,3-dimethylheptane",CCCCC(C)C(C)C,linear alkanes,C9H20,3074-71-3,26375,PubChem,,60.2,0,0.4372,0.19114384,38.9768,29.17586,0,0,29,9,20,0,9,0,0,0,0,0,0,0,0,0,1318.698369,1396.254728,1676.830689,1640.599976,1220.000381,890.151364,554.039474,169.670592,18.289152,4433.327004,5682.867541,7720.006773,8556.303991,7658.758219,5648.125411,3856.692253,2122.849263,559.5073998,202.233924,202.676768,382.170564,505.474208,563.474228,495.799312,311.958344,246.65472,120.932352,33.9923581,44.5820862,65.17562287,76.18581931,73.15447416,56.10576844,38.07478301,24.03324144,8.003032287,4839.502245,4076.805803,8508.590417,11640.87061,13479.49937,12382.08547,7569.145663,6275.494221,3328.517736,46.30555556,54.94444444,84.58333333,111.3333333,118,94.33333333,66,48,18,45.47235755,49.86624029,31.05242017,22.78611078,15.0617331,12.36321339,12.31198831,4.713072,1.016064,152.873345,202.9595551,142.9630884,118.8375554,94.55257061,78.44618626,85.70427228,58.96803508,31.08374443,6.973583586,7.238456,7.077232667,7.020475111,6.956471951,6.886101556,6.932407644,6.85152,6.718464,1.172150279,1.592217364,1.206955979,1.058136379,0.903141656,0.779246784,0.846106289,0.66759004,0.444612905,166.8793878,145.6002072,157.5664892,161.6787585,166.4135725,171.9734093,168.203237,174.3192839,184.917652,1.596743295,1.962301587,1.566358025,1.546296296,1.456790123,1.310185185,1.466666667,1.333333333,1,0.040207709,-0.007289056,-0.005172458,-0.007023339,-0.012961796,0.011614815,-0.005286055,-0.003540923,0.009554957,751.4441938,-57.58193056,-84.21357344,-220.8267037,-253.6484041,196.6422929,-134.8856723,-31.0942425,209.8861369,1397.342566,-107.0760587,-156.5987359,-410.6366852,-471.6700386,365.6647405,-250.8256675,-57.8210717,390.292234,0.147202759,-0.011279905,-0.016496861,-0.043258435,-0.049687981,0.038520875,-0.026423177,-0.006091149,0.041115253,6.246771423,-0.478679803,-0.700069211,-1.835737043,-2.10858453,1.634691526,-1.121307437,-0.258487093,1.74478788,33.93256151,-2.600196285,-3.802787066,-9.971752752,-11.45386463,8.879670312,-6.090959797,-1.404105994,9.477715458,3.66091954,-1.701347602,0.283690052,0.146452636,-1.779924693,1.336107808,-0.005449861,-0.923900119,0.81391201,0.001386473,-2.60E-04,-9.58E-05,-9.75E-05,-1.60E-04,1.61E-04,-1.17E-04,-9.84E-05,5.31E-04,25.91186875,-2.05649752,-1.559510619,-3.067037551,-3.131461779,2.731142956,-2.997459385,-0.863728958,11.66034094,48.18422642,-3.824144954,-2.89997659,-5.703287294,-5.823086897,5.078676951,-5.573903723,-1.606140881,21.68290189,0.005075957,-4.03E-04,-3.05E-04,-6.01E-04,-6.13E-04,5.35E-04,-5.87E-04,-1.69E-04,0.002284181,0.215405911,-0.017095707,-0.012964245,-0.025496348,-0.026031908,0.022704049,-0.024917943,-0.007180197,0.09693266,1.170088328,-0.092864153,-0.070421983,-0.138496566,-0.141405736,0.123328754,-0.135354662,-0.039002944,0.526539748,0.126238605,-0.060762414,0.005253519,0.002034064,-0.021974379,0.018557053,-1.21E-04,-0.025663892,0.045217334,-0.187759506,-0.069086293,-0.070355781,-0.115416752,0.116350564,-0.084724275,-0.070941867,0.382864343,-0.079365079,-0.060185185,-0.118364198,-0.12085048,0.105401235,-0.115679012,-0.033333333,0.45,-0.079365079,-0.060185185,-0.118364198,-0.12085048,0.105401235,-0.115679012,-0.033333333,0.45,-0.079365079,-0.060185185,-0.118364198,-0.12085048,0.105401235,-0.115679012,-0.033333333,0.45,-0.079365079,-0.060185185,-0.118364198,-0.12085048,0.105401235,-0.115679012,-0.033333333,0.45,-0.079365079,-0.060185185,-0.118364198,-0.12085048,0.105401235,-0.115679012,-0.033333333,0.45,-0.481329895,0.041615792,0.016112855,-0.174070198,0.146999826,-9.59E-04,-0.203296703,0.35818943,1.720300521,1.145862323,1.121599445,1.081170224,0.674944427,1.054775825,0.876771759,2.10E-05,1.611111111,1.25308642,1.190432099,1.058161866,0.689197531,1.002469136,0.751851852,0,1.611111111,1.25308642,1.190432099,1.058161866,0.689197531,1.002469136,0.751851852,0,1.611111111,1.25308642,1.190432099,1.058161866,0.689197531,1.002469136,0.751851852,0,1.611111111,1.25308642,1.190432099,1.058161866,0.689197531,1.002469136,0.751851852,0,1.611111111,1.25308642,1.190432099,1.058161866,0.689197531,1.002469136,0.751851852,0,2.094191523,0.802604803,0.982600733,1.188169855,0.584249084,1.090598291,1.274725275,0,47.10818631,23.55409316,35.91182605,47.10818631,5.234242923,23.55409316,-3.20E-14,0.132882999,0.014764778,-1.816457618,39.2642408,4.362693422,3.303282781,47.10818631,23.55409316,35.91182605,47.10818631,5.234242923,23.55409316,-3.20E-14,0.132882999,0.014764778,-1.816457618,39.2642408,4.362693422,3.303282781,47.10818631,23.55409316,35.91182605,47.10818631,5.234242923,23.55409316,-3.20E-14,0.132882999,0.014764778,-1.816457618,39.2642408,4.362693422,3.303282781,47.10818631,23.55409316,35.91182605,47.10818631,5.234242923,23.55409316,-3.20E-14,0.132882999,0.014764778,-1.816457618,39.2642408,4.362693422,3.303282781,47.10818631,23.55409316,35.91182605,47.10818631,5.234242923,23.55409316,-3.20E-14,0.132882999,0.014764778,-1.816457618,39.2642408,4.362693422,3.303282781,47.10818631,23.55409316,35.91182605,47.10818631,5.234242923,23.55409316,-3.20E-14,0.132882999,0.014764778,-1.816457618,39.2642408,4.362693422,3.303282781,60.20302834,29.96725491,46.57890704,59.99418061,6.666020067,29.96725491,-0.268518519,0.091185656,0.01013174,-2.155371904,36.24638103,4.02737567,3.231305588,0,11.89,12.11013444,-0.163405954,0.057512156,5.205588323,8.742318375,8,28,28,28,8,0,0,0,0,0,21.86414,3.57434346,3.246754088,2.846003168,2.495835414,2.333552793,1.902558309,1.480312057,1.210751008,1.952000829,1.754383063,1.506152089,1.297597602,1.249629723,0.91441315,0.644839656,0.53832236,3.599326184,3.281688999,2.892884858,2.555719858,2.405454588,1.982325089,1.575248999,1.326489864,1.895808766,1.681996493,1.415575902,1.192747393,1.134540686,0.788628769,0.504337242,0.387060162,3.710016168,3.434537504,3.096310191,2.810474041,2.704236987,2.314167229,1.964345779,1.785194886,1.732275445,1.464824616,1.136139728,0.859323501,0.76031856,0.376327217,0.036128238,0.13268352,3.617776089,3.307398163,2.927323345,2.59944652,2.457539916,2.040174228,1.64378223,1.409066921,1.860178321,1.635503733,1.356715752,1.123809394,1.058262671,0.704987604,0.410363614,0.284765497,3.764411309,3.50825436,3.192910657,2.928362508,2.838982085,2.463377656,2.136090729,1.980516409,1.681841302,1.395970945,1.045331348,0.747451194,0.631337262,0.233267469,0.129595693,0.323388535,3.592157242,3.342165686,3.031777623,2.7110376,2.647389847,2.124692898,1.715976918,1.505117502,1.874345643,1.585395313,1.239384857,0.988304031,0.867170067,0.586927391,0.299479614,0.157875446,0,0,0,0,0,4,3,2,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.569035594,0,0.23570226,0,1.207106781,0.61785113,0.638071187,1.207106781,0.61785113,0.638071187,7.276020882,4.180739213,3.363529345,2.151090525,0.859432754,0.557677536,0.23570226,0,0.808446765,0.522592402,0.373725483,0.268886316,0.171886551,0.139419384,0.11785113,0,7.276020882,4.180739213,3.363529345,2.151090525,0.859432754,0.557677536,0.23570226,0,0.808446765,0.522592402,0.373725483,0.268886316,0.171886551,0.139419384,0.11785113,0,14.41827804,27.87836854,26.25490196,26.6,16.98554491,223.5398563,0.497182001,0.961323053,0.905341447,0.917241379,0.585708445,7.708270906,3.4687,43.527,23.55409316,35.91182605,47.10818631,5.234242923,23.55409316,0.132882999,0.014764778,-1.816457618,39.2642408,4.362693422,3.303282781,74,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,9.216296296,0,4.157314815,0,0,0,1.793055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.256990741,0,1.344305556,0,0,0,0.871805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.347546296,0,1.41087963,0,0,0,0.92125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.16666667,1.685185185,0.2,2.347546296,0.2,0.871805556,6.747314352,0.461527778,0.347546296,2.432592593,0.461527778,0.347546296,2.432592593,4.5,0.5,0,0,0.42414,0.7,0.42414,0.42414,0.7,0,0,0,0,0.71429,0,0,0.44444,0.22222,0,4,0.44444,4,0.44444,0,0,-4,-0.44444,0,0,10.50211,1.1669,10.50211,0,0,4.18073,0.46453,4.18073,0,0,0.23327,0.02592,0.23327,0.02592,0,8,0,0,0,0,0,0,1,0.893571102,1.368551705,2.606801253,3.270425822,3.164208048,3.108591893,25.91356195,39.68799946,75.59723634,94.84234884,91.76203338,90.14916488,0.183938781,0.281712034,0.536601781,0.673206796,0.651342204,0.639893794,3.964409893,3.48942929,2.251179742,1.587555173,1.693772948,1.749389103,0.185875833,0.284678732,0.542252714,0.680296312,0.658201464,0.646632492,6.65913786,12.35890511,17.39724916,17.30798558,17.20093665,14.83156558,35.68332321,26.14213373,21.80019198,20.96991456,21.47735328,21.10140159,9,4.839506173,4.5,9,0,7,2.45,1.3767,1.55976947,4.008290259,4.242042245,0,2.381101578,2.620741394,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,3.809,9,8,5,4,2,0,0,0,0,45,2.197224577,2.302585093,2.197224577,1.791759469,1.609437912,1.098612289,0,0,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.5,8,1,1,3,6,1,2,1.111111111,0.375,0.24,0.111111111,0,0,0,0,0,0.25,0.12345679,0.046875,0.048,0.027777778,0,0,0,0,0,0.496109568,23.55409316,35.91182605,47.10818631,5.234242923,23.55409316,0.132882999,0.014764778,-1.816457618,39.2642408,4.362693422,3.303282781,0,164.2203203,4.169925001,3.555348061,4.234106505,4.96284463,5.680172609,6.411818268,7.139660336,7.872836175,8.603921195,9.337941717,74.7986495,2.833213344,0,3.970291914,0,5.283203729,0,6.670766321,0,8.094683649,8.375168691,128.1565006,4.419189677,16.49144059,1.832382288,0,0,0,102,8,5.339,34,1.230142857,2.121830287,2.890320195,3.536755895,4.402279157,5.584733913,6.474327983,7.6460672,0,0,72.40063676,74.84180569,75.2651514,64.8290477,66.92514283,79.61699694,33.70367981,7.768893624,0,0,275.5059647,328.999144,368.6486019,371.8739144,388.4547966,516.6244677,405.8364178,237.6683987,0,0,8.939719117,15.07516428,20.34163194,24.70619326,30.44214827,38.82988453,44.47378577,51.36982723,0,0,2.098837641,2.71779401,3.206811917,3.43640986,3.716187775,4.978400014,4.514577168,3.399540149,0,0,176.9060838,330.119151,463.7933105,580.9034264,747.4575998,930.7407383,1119.456154,1413.892794,0,0,2.466323413,3.437899125,4.583841279,5.338514524,6.014848775,8.459698938,8.920030762,7.6460672,0,0,0.435567857,0.573101819,0.682696188,0.739146364,0.805541079,1.078271496,0.999499888,0.782957281,0,0,425.4733544,210.6633636,10.3104196,155.0418517,-76.76541348,-9.402329663,270.4315027,287.428777,19.71274926,0.732923703,0.362890345,0.017760809,0.267076297,-0.132236697,-0.016196526,246.993752,122.2932859,5.985355359,90.00415248,-44.56348982,-5.458195342,0.060321404,0.131614326,0.677891967,8.567922634,580.5152061,0,1,0,496.6525532,22.28570289,7.919253116,690.3932748,26.27533586,8.838234442,862.8260103,29.37390015,9.520090485,1.792271758,1.792271758,866.6360061,765.6698967,148.4460603,1.131866369,5.838053257,5.157899745,4.758726456,4.466158665,8.836778877,0.978608361,5.578011069,7.588230101,3.30989835,30.66474631,10.10613105,5.045377857,7.917140697,21.09577666,12.44522547,5.341313533,5.152153612,7.794584573,5.553528727,3.800250386,2.755731928,0.260945109,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.468123816,7.587802361,0.205461679,9.717566289,1.558930201,0.109130111,0.834062437,1.018861968,3.263351886,0.201811202,0.090383609,0.804906354,0.256409138,0.955317837,0.114730901,0.001837924,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.511160743,7.58783173,0.710905859,12.28504119,2.145051005,0.559256309,2.084609216,3.703809476,4.461150888,0.81341104,0.515804141,1.618344639,0.965870895,1.268292925,0.447155927,0.019152065,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,5.265187433,7.588183417,3.074480772,28.77803815,9.173022656,4.545970877,7.414443025,19.36674648,11.64382377,4.871910188,4.62725807,7.149714823,5.097714715,3.531369421,2.520942422,0.23249744,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,2.227172895,7.587869096,1.095953819,14.55475922,2.891400587,1.033777385,3.00104726,5.966543808,5.484244605,1.363152665,0.988308809,2.358847189,1.563287272,1.56263696,0.736716796,0.041600681,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,6.73625619,7.588426223,4.233053581,38.33655646,14.02637087,7.118378159,9.856835311,28.06523677,15.68415559,7.2550288,7.339741894,10.42859634,7.390543184,4.903338743,3.708061929,0.380563701,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,3.502810429,6.438695491,1.572039215,18.49004404,4.806458358,2.100266818,4.538220493,10.41982675,7.326186002,2.440474164,2.050419734,4.280681155,2.638239445,2.590157132,1.406980797,0.091887267,0.049062152,5.56E-20,1.21E-59,5.11E-121,4.15E-204,0.00E+00,0,0,0,0,0,0,0,0,6.723504872,1.555632757,0.601182155,0.757124184,0.175177561,0.509002043,0.428286351,0.448161966,8.880319783,15.43657422,30.60484117,0.635686276,1.38545036,5.78959957,0.973158537,0.185302504,0.833268432,0.140061895,0.377367138,0.167316017,0.042732167,6.948060611,6.887354258,14.87944591,0.749902648,0.587415322,6.173003683,1.212302574,0.356055983,0.797405352,0.156600678,0.429026371,0.259840947,0.157516981,7.74136224,10.11313073,20.5190551,0.696108028,0.846384299,6.701603934,1.541974703,0.591431054,0.758528193,0.174530052,0.505689647,0.420782608,0.433773382,8.835009691,15.20921214,30.15589512,0.637792289,1.360245636,6.338476334,1.315507436,0.429742597,0.784103277,0.162735275,0.452346799,0.306059135,0.229314182,8.083726367,11.62755561,23.29461015,0.676154915,0.987720116,6.79169355,1.598156721,0.631541812,0.752843185,0.177151897,0.519384553,0.452075328,0.494457888,9.021392082,16.15273193,32.02899927,0.629264778,1.465917769,6.721478252,1.54824999,0.592247172,0.758462751,0.174707096,0.508698521,0.42426355,0.434781625,8.861975413,15.3042518,30.32946436,0.637694127,1.367743695 +UMLYSI0170,L,3-ethyl-2-pentene,CCC(=CC)CC,alkenes,C7H14,816-79-5,13159,PubChem,,59.8,0,1.3255,1.75695025,35.532,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1106.796102,1110.860358,779.919339,248.409504,27.433728,0,0,3399.790734,4147.41404,5063.01831,5187.353288,4731.845919,2997.771428,839.2610996,0,0,146.842108,144.889944,254.381208,281.255064,275.662956,329.671296,181.398528,0,0,25.74688067,32.32302034,42.78148384,44.55993546,43.10284392,33.38218473,12.00454843,0,0,3476.407621,2904.481805,5704.188715,6443.859323,6147.15562,8303.73542,4992.776605,0,0,37.27777778,44.33333333,62.58333333,67,70,66,27,0,0,48.76541633,51.7541979,30.74433617,27.77150895,19.99793177,5.175198,1.016064,0,0,161.8947969,207.370702,140.6393975,129.6838322,121.3293825,62.45357141,31.08374443,0,0,6.992481333,7.2444972,7.066144667,7.0313766,7.068280923,6.868152,6.718464,0,0,1.226041937,1.616151017,1.188374551,1.113998387,1.105201126,0.695462182,0.444612905,0,0,165.54322,145.2240902,158.4496865,161.0964831,157.6193749,172.9944879,184.917652,0,0,1.775132275,2.216666667,1.738425926,1.675,1.794871795,1.375,1,0,0,0.037857571,-0.001636127,-0.008330421,-0.003883593,-0.02275288,0.00140958,0.016264655,0,0,564.9747087,-53.80711511,-40.35533633,13.45177878,-484.264036,-80.71067267,363.198027,0,0,1050.594596,-100.0566282,-75.04247115,25.01415705,-900.5096538,-150.0849423,675.3822403,0,0,0.110674667,-0.010540444,-0.007905333,0.002635111,-0.094864,-0.015810667,0.071148,0,0,4.696646663,-0.447299682,-0.335474762,0.111824921,-4.025697139,-0.670949523,3.019272855,0,0,25.51225921,-2.429738973,-1.822304229,0.607434743,-21.86765075,-3.644608459,16.40073807,0,0,3.415343915,-0.877047115,-0.424981104,0.70622323,-1.71579743,-1.362055933,1.965986395,0,0,0.001802741,-8.18E-05,-2.31E-04,-9.71E-05,-5.83E-04,2.94E-05,6.02E-04,0,0,26.90355756,-2.690355756,-1.120981565,0.336294469,-12.41702656,-1.681472347,13.45177878,0,0,50.0283141,-5.00283141,-2.084513087,0.625353926,-23.08999112,-3.126769631,25.01415705,0,0,0.005270222,-5.27E-04,-2.20E-04,6.59E-05,-0.00243241,-3.29E-04,0.002635111,0,0,0.223649841,-0.022364984,-0.009318743,0.002795623,-0.103223004,-0.013978115,0.111824921,0,0,1.214869486,-0.121486949,-0.050619562,0.015185869,-0.560708994,-0.075929343,0.607434743,0,0,0.162635425,-0.043852356,-0.011805031,0.017655581,-0.043994806,-0.028376165,0.072814311,0,0,-0.045378849,-0.128360386,-0.053856766,-0.323622213,0.016289775,0.334154764,0,0,-0.1,-0.041666667,0.0125,-0.461538462,-0.0625,0.5,0,0,-0.1,-0.041666667,0.0125,-0.461538462,-0.0625,0.5,0,0,-0.1,-0.041666667,0.0125,-0.461538462,-0.0625,0.5,0,0,-0.1,-0.041666667,0.0125,-0.461538462,-0.0625,0.5,0,0,-0.1,-0.041666667,0.0125,-0.461538462,-0.0625,0.5,0,0,-0.269635941,-0.072585851,0.108559256,-0.270511827,-0.174477149,0.44771495,0,0,1.37394002,1.266503852,1.217803159,1.397757423,0.700626151,0.002679253,0,0,1.5,1.130952381,1.017857143,1.538461538,0.803571429,0,0,0,1.5,1.130952381,1.017857143,1.538461538,0.803571429,0,0,0,1.5,1.130952381,1.017857143,1.538461538,0.803571429,0,0,0,1.5,1.130952381,1.017857143,1.538461538,0.803571429,0,0,0,1.5,1.130952381,1.017857143,1.538461538,0.803571429,0,0,0,1.707978311,1.021172218,0.76859024,1.426443425,1.097986057,0,0,0,25.80825086,12.90412543,18.14019341,25.80825086,3.68689298,12.90413257,1.78E-15,0,0,0,4000004.229,571429.1756,10.64126418,25.80825086,12.90412543,18.14019341,25.80825086,3.68689298,12.90413257,1.78E-15,0,0,0,4000004.229,571429.1756,10.64126418,25.80825086,12.90412543,18.14019341,25.80825086,3.68689298,12.90413257,1.78E-15,0,0,0,4000004.229,571429.1756,10.64126418,25.80825086,12.90412543,18.14019341,25.80825086,3.68689298,12.90413257,1.78E-15,0,0,0,4000004.229,571429.1756,10.64126418,25.80825086,12.90412543,18.14019341,25.80825086,3.68689298,12.90413257,1.78E-15,0,0,0,4000004.229,571429.1756,10.64126418,25.80825086,12.90412543,18.14019341,25.80825086,3.68689298,12.90413257,1.78E-15,0,0,0,4000004.229,571429.1756,10.64126418,29.54117308,14.71185638,21.26165,29.45727285,4.208181836,14.7118575,-0.117460317,2.22E-16,3.17E-17,-25.23055737,4000004.123,571429.1604,10.64126416,0,11.89,12.11009426,-0.158911248,0.062820356,5.524376364,8.314253756,6,20,19,19,5,1,1,0,0,1,15.304898,3.576870491,2.902564078,2.845468358,2.139109863,1.598026915,1.472511966,0.333124688,0.083923071,1.900191781,1.563026335,1.505026487,1.018476414,0.769718516,0.607698402,0.083923071,0.083923071,3.596407201,2.950308951,2.892294398,2.206084254,1.695309721,1.565969172,0.463338498,0.270913902,1.848460365,1.473453684,1.414493482,0.905522179,0.630337185,0.47196189,0.270913902,0.270913902,3.68617235,3.155598408,3.095489574,2.488819214,2.090117344,1.947317474,0.957943414,0.943918427,1.704859824,1.195492746,1.13527835,0.542566335,0.162386152,0.017363809,0.943918427,0.943918427,3.611004527,2.985267979,2.926692233,2.254882417,1.765276817,1.63333687,0.555128054,0.399277246,1.816261445,1.415133181,1.355669245,0.830985382,0.536857124,0.381019047,0.399277246,0.399277246,3.732211593,3.252217518,3.191994659,2.618263328,2.26277616,2.114748025,1.207644823,1.207644823,1.662823713,1.104407163,1.044565447,0.419247416,0.004703131,0.144497933,1.15550033,1.207644823,3.606550465,3.031713175,3.016242499,2.342880338,1.814483785,1.721308326,0.646722783,0.552631579,1.813941039,1.352696166,1.245068323,0.731347362,0.45402711,0.267031898,0.552631579,0.552631579,0,0,0,1,1,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0.204124145,0,0,0,0.144337567,0,0,0,0.612372436,0.612372436,0,0.433012702,0.433012702,0,5.698670613,3.346065215,2.090770275,1.732050808,0.866025404,0,0,0,0.814095802,0.557677536,0.348461713,0.288675135,0.288675135,0,0,0,5.491563832,2.987345747,1.654030206,1.316496581,0.65824829,0,0,0,0.784509119,0.497890958,0.275671701,0.219416097,0.219416097,0,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,36,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,3,0,1,0,0,0,0,0,0,0,0,3,0,2,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,1.067361111,0.870833333,0,0.300694444,0,0,0,0,0,0,0,0,6.486111111,0,2.430555556,0,2.194444444,0,0,0,0,1.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.243402778,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.099537037,0,1.215277778,0,2.194444444,0,0,0,0,1.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.194444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300694444,0,0,0.290277778,0.290277778,0,0.300694444,0,0,0,0,0,0,0,0,2.193287037,0,1.215277778,0,2.194444444,0,0,0,0,1.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,1.80952381,0.300694444,2.194444444,0.041666667,1.215277778,4.368638889,0.284722222,0.194444444,1.361111111,0.284722222,0.194444444,1.361111111,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,6.07079,0.86726,7.12629,1.0555,0.15079,2.77028,0.39575,3.34606,0.57578,0.08225,0.06794,0.00971,0.06794,0.00971,0,6,0,0,0,0,0,0,0.714285714,0.918295834,1.911092835,2.855904922,2.855904922,2.64674695,2.114511128,19.28421252,40.13294954,59.97400337,59.97400337,55.58168595,44.40473368,0.209068641,0.435098981,0.650204584,0.650204584,0.602585536,0.481411274,3.474021589,2.481224587,1.5364125,1.5364125,1.745570473,2.277806295,0.209068641,0.435098981,0.650204584,0.650204584,0.602585536,0.481411274,6.73287657,15.92600679,16.87821207,16.87821207,14.3683164,7.981486528,27.64912502,17.29583807,17.85206274,17.85206274,16.59711491,11.46523287,7,4.166666667,2.666666667,7,2,5,2.23,1.0519,0.75,4.326748711,1.5,0,1.5,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,3.184,6,6,3,0,0,0,0,0,0,28,2.079441542,2.302585093,2.397895273,1.791759469,0,0,0,0,0,0,3.663561646,1.357142857,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,1.5,0.666666667,0.375,0,0,0,0,0,0,0,0.25,0.111111111,0.0625,0,0,0,0,0,0,0,0.423611111,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,0,126.9918924,3.807354922,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,66.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921535632,98.10955045,4.671883355,12.6691974,1.809885343,0,0,0,48,6,3.3,24,1.214051837,2.103044007,2.985452573,3.867931062,4.510634632,4.826154631,0,0,0,0,73.93784783,76.22561596,94.86064756,81.9612378,23.41238135,4.903681979,0,0,0,0,277.7065547,328.7909252,422.0637421,486.8236131,282.2253205,150.0149571,0,0,0,0,8.830731397,14.93515914,21.07403058,27.39693905,30.98220593,32.42434614,0,0,0,0,2.102876489,2.700670886,3.541129855,4.395122711,3.141134617,2.14577063,0,0,0,0,174.0971332,327.8527879,474.9898055,605.2798647,780.1172548,892.4411826,0,0,0,0,2.787217269,3.835572679,5.198722707,7.047063771,6.208339721,4.826154631,0,0,0,0,0.43593264,0.569045843,0.749400291,0.939270482,0.695493207,0.494198234,0,0,0,0,321.1678968,128.793939,8.736486921,77.96120697,-31.26380637,-4.344988586,243.2066898,160.0577454,13.08147551,0.804671706,0.322687416,0.021888875,0.195328294,-0.078330059,-0.010886173,128.1874548,51.40540945,3.486986195,31.11658666,-12.47829502,-1.7342114,0.141853805,0.219139887,1.311724434,1.405897401,399.1291037,0,1,0,389.5645313,19.73738917,7.303423248,529.9400565,23.02042694,8.092367227,621.8607954,24.93713687,8.535541129,1.422667426,1.273130956,417.7499303,290.1544721,143.5388723,1.4397501,2.910360961,2.021434804,4.073960242,3.545648777,6.918651358,0.951307587,5.793167884,4.759904181,4.657160059,14.55483503,11.32954929,5.336642102,9.921453366,7.139723602,7.80189789,2.375029131,0.916701555,0.253492765,0.5159424,2.10E-15,1.65E-51,2.50E-109,7.30E-189,4.11E-290,0,0,0,0,0,0,0,0,0,0,0,0,0.486185323,4.743837193,0.231788973,3.467643792,2.654856121,0.268931067,2.913367565,0.432714975,0.099583344,0.155583837,0.072472846,0.00178538,0.003633825,1.48E-17,1.16E-53,1.76E-111,5.14E-191,2.90E-292,0,0,0,0,0,0,0,0,0,0,0,0,1.569453605,4.744910948,0.853048402,4.316222624,3.770801275,0.935165707,4.048166268,1.28332596,0.646233819,0.530940803,0.236889715,0.01860496,0.037867253,1.54E-16,1.21E-52,1.83E-110,5.36E-190,3.02E-291,0,0,0,0,0,0,0,0,0,0,0,0,5.468278215,4.758140211,4.286460949,13.37566304,10.56686382,4.896145898,9.387814151,6.545721108,6.967559926,2.211675975,0.862220816,0.225857497,0.459695389,1.87E-15,1.47E-51,2.23E-109,6.50E-189,3.66E-290,0,0,0,0,0,0,0,0,0,0,0,0,2.31308332,4.746303013,1.363270944,5.318755538,4.731269882,1.50183909,4.914969755,2.021177064,1.326001078,0.811676136,0.352104851,0.040412435,0.082252734,3.35E-16,2.63E-52,3.98E-110,1.16E-189,6.55E-291,0,0,0,0,0,0,0,0,0,0,0,0,6.996088096,4.767321407,6.142985912,19.48896986,14.41642533,7.11549555,12.0160551,9.547289209,11.30301683,3.011054161,1.121595746,0.369695341,0.752453501,3.06E-15,2.41E-51,3.64E-109,1.06E-188,6.00E-290,0,0,0,0,0,0,0,0,0,0,0,0,3.303174079,4.397218729,2.081584142,6.651800931,6.630152715,2.135419594,5.890824578,2.866020245,2.483204264,1.276710438,0.542208979,0.077417151,0.157569666,6.41E-16,5.04E-52,7.63E-110,2.23E-189,1.26E-290,0,0,0,0,0,0,0,0,0,0,0,0,4.010773365,2.073893994,0.376657738,0.620735423,0.320970383,0.548438663,0.531415678,0.476021084,6.461325097,10.60975584,20.20408941,0.431103134,1.555875425,2.877194753,1.382338293,0.081201469,0.662835919,0.318457231,0.282245691,0.236118,0.022123823,4.340734516,4.323136825,8.986830409,0.494253879,0.540487514,3.327415376,1.657001778,0.198547109,0.641990801,0.319701563,0.377480931,0.339256623,0.132269446,5.182964262,6.503174808,12.78083514,0.462986201,0.849007,3.982709152,2.056773024,0.369343073,0.621441371,0.320928243,0.540790843,0.522678629,0.45771202,6.408825249,10.42216965,19.8564793,0.432162057,1.521181493,3.528097242,1.779430594,0.25085289,0.634734721,0.320134709,0.424384088,0.391234928,0.21114005,5.558380726,7.60941287,14.74264909,0.452102082,1.026759066,4.098634924,2.12749518,0.399558,0.618597625,0.321097997,0.572729158,0.55923729,0.53566351,6.625688104,11.20752614,21.3172905,0.427896437,1.667629959,3.988552581,2.05774584,0.36936482,0.621689829,0.32073782,0.54234027,0.523087069,0.457765923,6.415663241,10.44071741,19.88791563,0.432534743,1.523193262 +UMLYSI0171,L,"2,4,4-trimethyl-1-pentanol",CC(CC(C)(C)C)CO,saturated alcohols,C8H18O,16325-63-6,85984,PubChem,,59,0,1.5621,2.44015641,39.6935,26.884274,0,0,27,9,18,0,8,0,1,0,0,0,0,0,0,0,1428.370121,1423.960324,1947.640015,1724.167463,1431.414315,1002.357855,227.187072,9.144576,0,4164.033391,5299.883923,7661.303763,8706.905046,7361.086931,5244.405885,2481.101024,279.7536999,0,194.608196,193.288408,355.02778,476.47166,654.412596,366.159636,408.924288,60.466176,0,30.95743629,40.32666126,61.02043146,75.72313532,69.46992192,48.10310721,28.16112552,4.001516144,0,4528.323871,3829.171409,7749.198621,10293.10642,16214.25368,8255.043736,10447.32047,1664.258868,0,77.84027778,62.375,94.5,135.4583333,148.25,112.75,105,9,0,52.90259707,54.76770477,39.74775541,26.12374944,15.39155177,19.65407559,3.985738105,1.016064,0,154.2234589,203.8416894,156.353138,131.9228037,79.15147238,102.8314879,43.52808814,31.08374443,0,7.207710963,7.434169538,7.245464898,7.219267576,7.036694581,7.179600706,7.174110316,6.718464,0,1.146571714,1.551025433,1.245314928,1.147320232,0.746988408,0.943198181,0.494054834,0.444612905,0,167.7156989,147.2758234,158.1469106,155.9561579,174.3468138,161.8636027,183.2863241,184.917652,0,2.882973251,2.399038462,1.928571429,2.05239899,1.594086022,2.210784314,1.842105263,1,0,0.236204017,-0.106403271,-0.015713061,0.001450275,-0.01948865,0.060508475,-0.082884562,0.044428786,0,800.2177743,-66.87771673,112.1505455,-836.4130218,558.5938266,-487.6203753,189.044395,131.0134596,0,1266.51806,-76.37381503,292.1180196,-1599.432229,1057.118957,-1208.571195,695.8983971,205.982836,0,1.122666963,-0.081912483,-0.078892192,-0.146723539,0.017102091,0.103986996,-0.4398627,0.064968346,0,5.603020215,-0.228978216,1.515193726,-7.286231276,4.722088668,-6.275711634,3.929910293,0.822218332,0,30.80423065,-1.077902146,8.552680593,-39.81200444,25.59862865,-35.54148031,22.56747723,4.310485098,0,25.52520576,-4.637440939,0.133525758,-4.731624371,0.636173983,4.511031093,-10.05707019,1.382801783,0,0.008748297,-0.004092434,-3.21E-04,2.20E-05,-2.10E-04,0.001186441,-0.001454115,0.004936532,0,29.63769534,-2.572219874,2.288786642,-12.67292457,6.006385232,-9.561183829,3.316568334,14.55705106,0,46.90807629,-2.937454424,5.961592237,-24.23382166,11.3668705,-23.69747441,12.20874381,22.88698177,0,0.041580258,-0.00315048,-0.001610045,-0.002223084,1.84E-04,0.002038961,-0.007716889,0.007218705,0,0.207519267,-0.008806854,0.030922321,-0.110397444,0.050775147,-0.123053169,0.068945795,0.091357592,0,1.140897431,-0.041457775,0.174544502,-0.603212188,0.275254072,-0.696891771,0.395920653,0.478942789,0,0.945377991,-0.178363113,0.002725015,-0.071691278,0.00684058,0.08845159,-0.176439828,0.153644643,0,-0.467797737,-0.036655674,0.002511787,-0.023953848,0.135619618,-0.166216937,0.564284886,0,-0.086788795,0.077225527,-0.427594805,0.202660334,-0.322602136,0.111903719,0.491166769,0,-0.062621507,0.127090956,-0.516623651,0.242322248,-0.505189645,0.260269548,0.487911328,0,-0.075768652,-0.038721374,-0.05346489,0.004422614,0.04903675,-0.185590226,0.173608954,0,-0.042438731,0.149009397,-0.531986476,0.244676784,-0.592972262,0.33223804,0.440236676,0,-0.036337863,0.152988776,-0.528717282,0.241261014,-0.610827715,0.347025633,0.419794782,0,-0.188668569,0.002882461,-0.075833454,0.007235815,0.093562142,-0.186634161,0.162521916,0,1.410620303,0.758301461,0.690714051,0.767122592,0.843674148,1.755031489,1.908155077,0,1.436331741,1.037335337,1.523336202,0.600878276,1.326389854,0.679968274,0,0,1.557444022,1.079673958,1.739278723,0.521948976,1.561325824,0.256862525,0,0,1.049055543,0.851193823,0.69106449,0.860908362,0.744665306,2.076550771,0,0,1.595649943,1.085810758,1.78723671,0.498136817,1.659549887,0.129596197,0,0,1.598755806,1.083745804,1.783974747,0.496587015,1.676097648,0.121454366,0,0,1.187279579,0.792533938,0.741818896,0.84267327,0.74210575,2.037201991,0,0,41.99280067,21.12140034,31.57738575,42.18724512,4.68747168,21.12140034,0.25,0.04755212,0.005283569,-2.741336007,38.71235373,4.301372637,3.29054289,41.9963521,21.12280884,31.57929038,42.19022532,4.687802814,21.12280884,0.249265579,0.047640338,0.005293371,-2.739667895,38.70600683,4.300667425,3.290395323,45.19928822,22.40014687,33.39275636,44.88895918,4.987662131,22.40014687,-0.398994478,0.133952897,0.014883655,-1.809240348,35.7701036,3.974455955,3.219401205,42.00007955,21.12428717,31.58128964,42.19335328,4.688150365,21.12428718,0.2484948,0.047732946,0.005303661,-2.737920089,38.69935514,4.299928349,3.290240643,48.69211377,23.80490975,35.62902857,47.85032934,5.31670326,23.80490975,-1.082294264,0.240435739,0.026715082,-1.282772179,37.66203349,4.184670387,3.265787266,42.3655511,21.26934264,31.778469,42.50021102,4.722245669,21.26934265,0.173134186,0.056901186,0.006322354,-2.579795191,38.09374179,4.232637977,3.27604501,53.71011937,27.0678201,41.84646767,54.04108001,6.004564446,27.0678201,0.425520833,0.017062697,0.001895855,-3.663774574,44.20615845,4.911795383,3.4099777,0,11.99629191,15.99794303,-0.421326805,0.072167535,4.340044759,8.958317725,8,26,26,26,8,0,0,0,0,0,19.677726,3.603620889,3.232028444,2.581314318,2.333552793,2.333552793,2.195284993,1.491744957,0.961657503,1.94840528,1.683651972,1.249629723,1.249629723,1.211975954,1.058774734,0.445442001,0.34444097,3.619524768,3.233155262,2.500447032,2.405454588,2.405454588,2.25365734,1.374130192,1.052435037,1.899484712,1.628022229,1.164264149,1.134540686,1.134540686,0.962627101,0.407143813,0.20026081,3.7270682,3.398553068,2.83279194,2.704236987,2.704236987,2.548403393,1.910699847,1.565241134,1.74139228,1.402100508,0.778645987,0.76031856,0.76031856,0.587741787,0.183534826,0.37140762,3.634777975,3.249921052,2.508960828,2.457539916,2.457539916,2.298101167,1.377928404,1.119902091,1.868972978,1.594189673,1.137246769,1.058262671,1.058262671,0.894183996,0.366859717,0.095265583,3.775773292,3.460591034,2.912857344,2.838982085,2.838982085,2.675327158,2.038250459,1.769191204,1.695620847,1.340733659,0.686801111,0.631337262,0.631337262,0.467963947,0.321423818,0.568516603,4.23144462,3.58499411,3.166649492,2.640341273,2.640341273,2.429711649,2.055820545,1.273117882,1.867043279,1.495168054,0.873470107,0.873470107,0.848588092,0.760526408,0.002520871,0.295605584,0,0,0,0,0,5,1,1,1,0,0,0,0,0,0,0,0,0,0,1.849335306,0.353553391,0,0,1.849335306,0.353553391,0,0,1.045385138,1.826859552,1.647499818,0.885809448,1.747071707,1.168772749,7.491563832,3.954507022,4.278204323,1.657757573,1.189722705,0.433012702,0,0,0.832395981,0.494313378,0.388927666,0.23682251,0.169960386,0.144337567,0,0,6.938777427,3.563628007,4.052530218,1.272507779,1.10993486,0.193649167,0,0,0.77097527,0.445453501,0.368411838,0.181786826,0.158562123,0.064549722,0,0,13.59124934,26.32119446,24.87843137,25.24,15.66722994,208.6661222,0.503379605,0.974859054,0.921423384,0.934814815,0.580267776,7.728374895,2.051,40.3218,21.60628242,32.24456881,43.21256483,4.801396093,21.60628242,0.078829326,0.008758814,-2.286423176,37.00061021,4.111178912,3.249840964,63,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.590555556,0,8.698101852,0,0,0,0,0,0,0,0,0,0,0.590555556,0,0,0,0,0,0,0,0,0,0,0,0,0,1.969444444,0,0,0,0,0,0,0,0,0,0,0,8.655486111,0,1.417430556,0,0,0,0.449074074,0,0,0,0,0,0.363240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.698101852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.590555556,0,8.698101852,0,0,0,0,0,0,0,0,0,0,0.590555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0.227777778,0,0,0,0,0,0,0,0,0,0,0,2.074652778,0,0.316736111,0,0,0,0.449074074,0,0,0,0,0,0.363240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.698101852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.590555556,0,8.698101852,0,0,0,0,0,0,0,0,0,0,0.590555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.193611111,0,1.100694444,0,0,0,0.449074074,0,0,0,0,0,0.363240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.698101852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.58333333,2.175925926,0.590555556,8.698101852,0.04,0.316736111,4.702221991,1.183263889,2.698101852,6.707175926,1.183263889,2.698101852,6.707175926,4.33333,0.48148,0,0.01852,0.46173,0.78519,0.42414,0.46173,0.73667,0.03759,0,-0.03759,0.04852,0.61321,0.10108,0,0.53846,0.11538,0.11538,4.25,0.47222,4.25,0.47222,0,0,-4.25,-0.47222,0,0,10.35321,1.15036,11.34151,0.9883,0.10981,3.62593,0.40288,3.9545,0.32857,0.03651,0.4595,0.05106,0.4595,0.05106,0,8.01,1,1,1,1,1,1,1,1.086048612,1.885003491,2.837315743,3.197883798,3.197883798,2.771595835,29.32331253,50.89509426,76.60752505,86.34286254,86.34286254,74.83308754,0.228406794,0.396434929,0.596715641,0.672546679,0.672546679,0.582894092,3.66883889,2.869884011,1.91757176,1.557003704,1.557003704,1.983291667,0.231052556,0.401027054,0.603627727,0.680337158,0.680337158,0.589646076,9.449442117,16.76853031,19.04943681,19.41282633,19.41282633,14.29737077,33.3868056,22.75060055,20.73628705,20.30821621,20.30821621,19.41932732,9,3.239669421,5.87755102,9,0,5,2.23,1.2945,2.121320344,3.084421651,1.754765351,3.039342743,0.5,2,1.154700538,0,0.5,0,0,0,0,0,0,0,0,0,0,0.348,0.454,0.442,0.331,0.169,3.976,11,7,7,3,0,0,0,0,0,45,2.197224577,2.48490665,2.079441542,2.079441542,1.386294361,0,0,0,0,0,3.828641396,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.375,8,1,0,3,5,0.666666667,4,0.888888889,0.75,0.24,0,0,0,0,0,0,0.5,0.080808081,0.107142857,0.034285714,0,0,0,0,0,0,0.722236652,21.60628242,32.24456881,43.21256483,4.801396093,21.60628242,0.078829326,0.008758814,-2.286423176,37.00061021,4.111178912,3.249840964,20.23,155.7145624,4.169925001,3.663561646,4.317488114,5.176149733,5.84932478,6.712956201,7.392031568,8.256088134,8.937612591,9.801399454,77.10661222,2.833213344,0,4.110873864,0,5.525452939,0,6.996681488,0,8.498418036,8.753687227,130.1357652,4.819843155,16.26675906,1.807417673,2.384466379,2.384466379,0,94,7,2.831,38,1.227923077,2.126245023,2.934027735,3.432127977,4.11059396,4.667937367,5.396668626,0,0,0,78.91090558,96.03769553,82.21020816,61.02399055,96.66548579,21.32733402,5.483360711,0,0,0,276.4511081,363.3319568,399.5780494,291.0072517,450.919799,213.5459662,167.7486683,0,0,0,9.155826991,15.47707739,21.22136385,24.24484967,29.80502219,33.94267061,36.25732388,0,0,0,2.045513112,2.831326916,3.434250993,2.669758801,4.002856001,2.337892018,2.399428514,0,0,0,178.400665,331.5001815,455.8435625,595.4203773,660.2351542,854.7979698,997.939291,0,0,0,2.983671474,4.274654589,6.114562294,5.65211184,9.960695998,9.431193511,5.396668626,0,0,0,0.438605158,0.61077018,0.755479413,0.606882626,0.930313099,0.607321345,0.552618867,0,0,0,291.1897397,214.7752495,10.72727699,104.6889855,-77.2163298,-17.92308009,186.5007542,291.9915793,28.65035708,0.735552888,0.54252789,0.027097382,0.264447112,-0.195050466,-0.045274168,115.275823,85.02495197,4.24670074,41.44414213,-30.56830221,-7.095366101,0.284358202,0.536125959,3.541599843,18.61200726,348.7082761,47.17044919,0.880846213,0.119153787,532.2508829,23.07056313,8.104112543,714.9614284,26.73876266,8.941853238,1000.233081,31.62646171,10.00077687,1.721722685,1.721722685,605.9777392,571.5353144,165.3977832,1.060262986,3.663759741,3.455519799,4.314460205,3.730373775,6.773216466,0.815693781,5.455655253,7.065708875,4.935567449,30.91559576,4.709968555,17.42483944,10.91957507,12.85652999,6.166329234,3.171809161,5.33718963,0.484708933,0.011680389,2.30E-23,8.71E-66,6.37E-130,8.98E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0.477759743,7.152778506,0.376504258,11.9736966,1.576383706,1.78446498,0.597390734,0.661346861,2.574751897,0.04767298,0.40474223,0.003539822,0.001305622,2.57E-24,9.73E-67,7.12E-131,1.00E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,1.422818036,6.924656198,0.999388117,14.37745285,1.787782362,3.923795903,1.637499137,2.194591761,2.529285861,0.288378717,0.808985853,0.035715578,0.002261775,4.45E-24,1.69E-66,1.23E-130,1.74E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,5.372651143,7.189799176,5.106781396,29.6213562,4.389064756,16.10347628,10.61173243,11.99193556,6.20229703,2.86216563,5.402989651,0.432287247,0.014670636,2.88E-23,1.09E-65,8.00E-130,1.13E-215,3.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,2.030071612,6.840467516,1.376572375,16.38645301,2.060054998,5.705514188,2.490439486,3.475157768,2.756614913,0.565899646,1.134796407,0.077311906,0.002239667,4.40E-24,1.67E-66,1.22E-130,1.72E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,6.769126134,7.155005752,6.639598948,37.70058723,6.129920968,22.76141416,15.26575658,17.31377277,7.622767307,4.565095203,7.550974655,0.706903717,0.017059309,3.35E-23,1.27E-65,9.30E-130,1.31E-215,3.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,4.517958403,6.502672305,4.800944913,22.97023328,2.67571956,10.12998231,7.666637871,7.097547434,7.589318168,1.253060181,5.19484634,0.170135816,0.024307747,4.78E-23,1.81E-65,1.33E-129,1.87E-215,4.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,3.759265799,1.374140688,1.040399967,0.608905677,0.222575926,0.521610384,0.53406552,0.455327759,6.173806453,10.50655603,22.0548191,0.413358516,1.511003663,3.985717529,0.772558022,0.503127695,0.757538881,0.146834977,0.587174013,0.172578474,0.103499743,5.261403247,5.473218263,12.28385133,0.636308322,0.86325223,3.53166679,1.046943713,0.737950397,0.664276561,0.19692123,0.461125054,0.314000065,0.229113339,5.3165609,7.076243779,15.12134405,0.496414841,1.004238458,3.871480317,1.34445256,1.015923136,0.621240335,0.215738707,0.552734238,0.513623042,0.430890168,6.231856013,10.50400851,22.02376641,0.431860502,1.497247448,3.431618456,1.163641305,0.84085636,0.631262905,0.214057478,0.435727356,0.384911496,0.300573256,5.43611612,7.857126372,16.65092739,0.446894358,1.121212108,3.82535969,1.409755612,1.074385718,0.606285612,0.223433772,0.539870186,0.561795011,0.484404831,6.30950102,11.01735541,23.12082768,0.409428419,1.586070028,3.868965479,1.348780166,1.019802543,0.620270235,0.216235631,0.551999098,0.516665397,0.434327786,6.237548188,10.53945418,22.09872354,0.430405352,1.502992281 +UMLYSI0172,L,ethylcyclopentane,CCC1CCCC1,cyclic alkanes,C7H14,1640-89-7,15431,PubChem,,58.6,0,-0.6076,0.36917776,26.3399,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1477.025768,964.65466,533.889554,141.39216,12.192768,0,0,3399.790734,4570.930941,6619.957195,5882.175964,3751.553998,1769.041052,373.0049332,0,0,146.842108,152.43046,299.130272,404.93416,324.596936,205.5456,80.621568,0,0,25.74688067,35.11192034,54.8202553,55.23263902,37.62614601,20.0277012,5.335354858,0,0,3476.407621,3031.276161,6474.882305,9538.877504,8002.571176,5229.578518,2219.011824,0,0,31.02777778,38.08333333,64.91666667,78.83333333,62,37,12,0,0,48.76541633,56.15943233,35.16728019,16.6319769,11.35935221,4.713072,1.016064,0,0,161.8947969,217.6633782,157.6180285,101.416827,79.82029783,58.96803508,31.08374443,0,0,6.992481333,7.258593333,7.122149333,6.981623448,6.906317787,6.85152,6.718464,0,0,1.226041937,1.671996207,1.305244174,0.95228688,0.800556298,0.66759004,0.444612905,0,0,165.54322,144.3464838,154.1638644,164.4634052,170.2674718,174.3192839,184.917652,0,0,1.477513228,1.813492063,1.545634921,1.359195402,1.319148936,1.233333333,1,0,0,0.028683677,-0.001665962,-0.009502807,-0.010467147,0.001210158,-0.00118001,0.00726393,0,0,564.9747087,5.76E-13,-161.4213453,-269.0355756,-13.45177878,-5.01E-13,161.4213453,0,0,1050.594596,0,-300.1698846,-500.283141,-25.01415705,1.42E-13,300.1698846,0,0,0.110674667,1.58E-15,-0.031621333,-0.052702222,-0.002635111,-1.12E-15,0.031621333,0,0,4.696646663,7.55E-15,-1.341899046,-2.236498411,-0.111824921,-5.02E-15,1.341899046,0,0,25.51225921,2.09E-14,-7.289216918,-12.14869486,-0.607434743,-1.13E-14,7.289216918,0,0,1.661375661,-0.349206349,-0.517195767,-0.096497858,0.010519022,-0.278155707,0.399848828,0,0,0.001365889,-7.93E-05,-2.26E-04,-1.80E-04,2.57E-05,-3.93E-05,6.05E-04,0,0,26.90355756,2.74E-14,-3.843365365,-4.638544406,-0.286208059,-1.67E-14,13.45177878,0,0,50.0283141,0,-7.146902014,-8.625571396,-0.532216107,4.74E-15,25.01415705,0,0,0.005270222,7.54E-17,-7.53E-04,-9.09E-04,-5.61E-05,-3.75E-17,0.002635111,0,0,0.223649841,3.60E-16,-0.031949977,-0.038560317,-0.002379254,-1.67E-16,0.111824921,0,0,1.214869486,9.94E-16,-0.173552784,-0.209460256,-0.012924143,-3.77E-16,0.607434743,0,0,0.079113127,-0.016628874,-0.012314185,-0.001663756,2.24E-04,-0.009271857,0.033320736,0,0,-0.058080487,-0.165648344,-0.13212494,0.018850759,-0.028797118,0.443174591,0,0,1.02E-15,-0.142857143,-0.172413793,-0.010638298,-6.21E-16,0.5,0,0,0,-0.142857143,-0.172413793,-0.010638298,9.47E-17,0.5,0,0,1.43E-14,-0.142857143,-0.172413793,-0.010638298,-7.12E-15,0.5,0,0,1.61E-15,-0.142857143,-0.172413793,-0.010638298,-7.49E-16,0.5,0,0,8.18E-16,-0.142857143,-0.172413793,-0.010638298,-3.11E-16,0.5,0,0,-0.210191083,-0.155652866,-0.02103009,0.002828974,-0.117197452,0.421178344,0,0,1.487348494,1.286575623,1.045604518,0.860117989,0.786939709,0.004225556,0,0,1.428571429,1.326530612,1.108374384,0.820668693,0.714285714,0,0,0,1.428571429,1.326530612,1.108374384,0.820668693,0.714285714,0,0,0,1.428571429,1.326530612,1.108374384,0.820668693,0.714285714,0,0,0,1.428571429,1.326530612,1.108374384,0.820668693,0.714285714,0,0,0,1.428571429,1.326530612,1.108374384,0.820668693,0.714285714,0,0,0,1.703821656,1.098726115,0.807160114,1.024529069,1.103503185,0,0,0,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,25.29352912,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,27.77813452,13.84244028,21.13062283,27.71152455,3.958789221,13.84244316,-0.093253968,0.096451767,0.013778824,-1.637098556,31.38905264,4.484150377,2.412521433,0,11.9,12.10010405,-0.151270271,0.048850063,5.392996342,8.077254951,7,21,21,21,7,0,0,0,0,0,15.304898,3.647787381,3.021440864,2.459820995,2.333928549,1.614437775,1.19006016,0.90129777,0.083923071,1.84856911,1.724171079,1.450086455,0.858665118,0.757863935,0.599202866,0.342753438,0.083923071,3.671939768,3.062393404,2.510897621,2.389140141,1.708805736,1.30885592,1.030454092,0.270913902,1.788978482,1.655976007,1.359643119,0.728794522,0.62194973,0.450646282,0.180101225,0.270913902,3.778083811,3.241304403,2.734801489,2.629214171,2.094567724,1.778468089,1.535538228,0.943918427,1.615918511,1.452583651,1.078375163,0.30272884,0.172849073,0.05241732,0.385488991,0.943918427,3.689726204,3.092533223,2.548571849,2.42975998,1.776860463,1.39352899,1.122168703,0.399277246,1.751218884,1.612285733,1.300689189,0.642372585,0.531260614,0.350686873,0.069694815,0.399277246,3.829816881,3.327119566,2.841861735,2.742891592,2.264406843,1.978039144,1.74770537,1.207644823,1.562710917,1.38842831,0.986158122,0.155202657,0.016182923,0.233608016,0.596747543,1.207644823,3.693106554,3.226609051,2.607153007,2.523408499,1.928706972,1.554062227,1.280899197,0.646153846,1.711484768,1.5567116,1.135299283,0.464111875,0.373734403,0.172430898,0.122904243,0.646153846,0,0,0,0,0,1,5,1,0,0,0,0.144337567,0.102062073,0.102062073,0,0,0.144337567,0.102062073,0.102062073,0.204124145,0,0,0,0.204124145,0,0,0,0.49279928,0.594861352,0.204124145,0.49279928,0.594861352,0.204124145,5.112884175,3.431851653,2.558730745,2.052095141,1.418611262,0.49279928,0.204124145,0,0.730412025,0.490264522,0.319841343,0.228010571,0.157623474,0.12319982,0.102062073,0,5.112884175,3.431851653,2.558730745,2.052095141,1.418611262,0.49279928,0.204124145,0,0.730412025,0.490264522,0.319841343,0.228010571,0.157623474,0.12319982,0.102062073,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.5866,32.249,22.87726984,33.16178179,45.75453968,6.536362811,22.87726984,0.106509552,0.01521565,-1.567664427,23.73191568,3.390273668,2.216774557,44,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,1,0,5,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,2.301574074,0,7.434537037,0,0,0,1.097222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.301574074,0,1.416666667,0,0,0,1.097222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.301574074,0,1.510416667,0,0,0,1.097222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.83333333,1.547619048,0.2,2.301574074,0.2,1.097222222,5.044046296,0.236111111,0.301574074,0.644814815,0.236111111,0.301574074,0.644814815,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.14286,0.14286,0,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.53706,0.93387,6.53706,0,0,3.43185,0.49026,3.43185,0,0,-0.01785,-0.00255,0.06815,0.00974,0.238095238,7,0,0,0,0,0,0,1,0.918295834,1.301240785,2.262362377,2.855904922,2.891851946,2.606137661,19.28421252,27.3260565,47.50960993,59.97400337,60.72889087,54.72889087,0.209068641,0.296253813,0.515072605,0.650204584,0.658388652,0.593340009,3.474021589,3.091076637,2.129955045,1.5364125,1.500465476,1.786179762,0.209068641,0.296253813,0.515072605,0.650204584,0.658388652,0.593340009,6.73287657,11.32821599,14.83801525,16.87821207,14.42555679,15.57961656,27.64912502,22.75804088,20.11514464,17.85206274,20.67668291,19.62950922,5.142857143,2.34375,1.185185185,2,0,2,2.23,0.9863,0,1.850535862,0.5,0,5.676240019,3.789291416,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,3.395,8,9,9,4,2,0,0,0,0,46,2.079441542,2.197224577,2.302585093,2.302585093,1.609437912,1.098612289,0,0,0,0,3.850147602,1,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,2,0.285714286,0,2,4,1,1,0.444444444,0.222222222,0.125,0,0,0,0,0,0,0.142857143,0.055555556,0.055555556,0.0625,0,0,0,0,0,0,0.316468254,12.64676456,19.13821665,25.29352912,3.613361303,12.64677442,0.124334235,0.017762034,-1.459347326,35.74373328,5.106247612,2.503462473,0,117.2718924,3.807354922,3.433987204,4.17438727,4.934473933,5.693732139,6.459904454,7.22329568,7.990576882,8.755107122,9.522446728,72.18791141,2.708050201,0,3.850147602,2.397895273,5.176149733,4.442651256,6.577861358,6.259581464,8.017966703,8.436416881,98.10955045,4.671883355,13.58523637,1.940748052,0,0,0,43,4,3.922,30,1.343117981,2.390692085,3.210325243,4.004198754,5.06631913,6.164327026,0,0,0,0,95.70321648,95.61595469,62.23573983,55.47485422,26.45975158,6.263350776,0,0,0,0,339.7181944,410.0402052,351.5421791,355.316314,318.2240234,191.6103659,0,0,0,0,9.8140227,17.10320877,22.47497521,27.76408163,34.80490719,41.41480921,0,0,0,0,2.502707816,3.324005922,3.217759812,3.445317846,3.537941431,2.740739346,0,0,0,0,189.8352978,363.0528976,523.5023825,673.461746,875.7556973,1139.89288,0,0,0,0,2.529045824,3.797345526,4.463666479,5.480270411,6.41522856,6.164327026,0,0,0,0,0.516208864,0.698107518,0.690818793,0.747477988,0.783197475,0.631227088,0,0,0,0,305.8151953,111.2090271,7.86049103,53.87153995,-19.59026772,-2.920773702,251.9436553,130.7992948,10.78126473,0.850226504,0.309183009,0.021853714,0.149773496,-0.054464805,-0.008120326,109.9976692,40.00041189,2.827314356,19.37687833,-7.046359437,-1.050563557,0.082146845,0.178551061,0.966780438,1.645250697,359.6867352,0,1,0,340.3421315,18.44836393,6.981872358,475.9606367,21.8165221,7.807710088,539.5784135,23.22882721,8.14113311,1.438297937,1.049065191,449.8613812,394.9927334,106.9611802,1.138910525,4.205837859,3.69286065,4.134407277,4.389230947,7.584798812,0.728047329,3.904607748,3.492895216,3.16846732,11.18985242,9.600371423,8.362736535,7.633129113,9.901339579,3.177345189,1.682803851,1.290182808,1.540262782,1.028073422,1.40269756,3.26E-08,4.21E-37,1.05E-87,5.02E-160,4.65E-254,0,0,0,0,0,0,0,0,0,0,0,0.327686671,3.492623617,0.7510435,4.341492281,0.721585455,1.886115837,0.307705479,0.565966676,0.140865553,0.04348663,0.71254889,0.090835969,0.029260869,0.009879314,2.30E-10,2.96E-39,7.37E-90,3.54E-162,3.28E-256,0,0,0,0,0,0,0,0,0,0,0,1.05781252,3.492642317,1.042890253,5.543208359,1.679539733,2.579331042,1.127561682,1.729186364,0.526423316,0.204783437,0.769235066,0.318550631,0.132028576,0.102950065,2.39E-09,3.09E-38,7.68E-89,3.69E-161,3.41E-255,0,0,0,0,0,0,0,0,0,0,0,3.685631203,3.492865592,2.949154615,10.70119866,8.754561779,7.743793437,6.945731082,9.067223349,2.908583318,1.521130165,1.233162434,1.427422732,0.931157029,1.249778272,2.90E-08,3.75E-37,9.32E-88,4.48E-160,4.14E-254,0,0,0,0,0,0,0,0,0,0,0,1.559021026,3.492666062,1.303093405,6.426398744,2.590832942,3.241905628,1.890913126,2.748113043,0.860651039,0.366971761,0.826326196,0.495103046,0.232597402,0.223621298,5.20E-09,6.70E-38,1.67E-88,8.01E-161,7.41E-255,0,0,0,0,0,0,0,0,0,0,0,4.715379333,3.493019659,4.061461773,13.07791821,13.07521365,10.90697839,10.449554,13.28787205,4.26654295,2.351028296,1.525894669,1.985430587,1.427525125,2.045702563,4.75E-08,6.13E-37,1.53E-87,7.33E-160,6.78E-254,0,0,0,0,0,0,0,0,0,0,0,2.600607385,3.386203908,1.861849295,8.045457924,4.839006396,4.918680024,3.71996943,5.312637361,1.636542112,0.846607209,1.150982387,0.866975643,0.548819194,0.585646981,1.36E-08,1.76E-37,4.37E-88,2.10E-160,1.94E-254,0,0,0,0,0,0,0,0,0,0,0,4.621272806,1.33590423,0.746594242,0.689354188,0.199276523,0.491832741,0.376293436,0.433667418,6.703771278,10.62117197,21.93410095,0.534031282,1.301793596,3.771716044,0.825314699,0.265397327,0.775685725,0.16973304,0.32795088,0.143684134,0.054514157,4.862428071,4.332892367,10.02146322,0.663528588,0.526149171,4.109103674,1.028097605,0.456548546,0.734588389,0.183793991,0.389076844,0.222922385,0.161685289,5.593749825,6.569941419,14.09240781,0.601882584,0.773684517,4.600237435,1.323262819,0.734684554,0.690914651,0.198742278,0.487375855,0.369208989,0.419894759,6.658184809,10.4392273,21.56967441,0.536371977,1.276479603,4.259503944,1.118489197,0.541736891,0.719543615,0.188942602,0.418005493,0.263823971,0.227863819,5.919730032,7.677666428,16.17834431,0.579315422,0.909693284,4.687129742,1.375481315,0.783879287,0.684603279,0.200903126,0.50591728,0.398908155,0.478230035,6.846490344,11.19941461,23.09962127,0.526904919,1.38305547,4.617212206,1.325136899,0.737077841,0.691258733,0.198390806,0.490949453,0.370267439,0.422666778,6.679426946,10.49841211,21.68760432,0.536888099,1.283883669 +UMLYSI0173,L,cyclooctane,C1CCCCCCC1,cyclic alkanes,C8H16,292-64-8,9266,PubChem,,57.7,0,-2.304,5.308416,23.2928,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1347.826376,1549.668296,1574.053832,996.997348,226.227456,16.257024,0,0,3885.475125,5223.921076,7308.376893,8054.38676,6360.319153,2830.465684,497.3399109,0,0,167.819552,174.20624,341.836064,503.0792,472.917136,328.87296,107.495424,0,0,29.42500648,40.12790896,61.50152116,72.17223088,61.01663088,32.04432192,7.113806478,0,0,3973.037281,3464.315612,7393.617592,11831.64124,11324.46382,8367.325628,2958.682432,0,0,34,42,74,98,89,56,16,0,0,48.76541633,56.15943233,32.28475617,21.86185878,14.66172571,4.713072,1.016064,0,0,161.8947969,217.6633782,152.2578519,111.8664828,93.53410519,58.96803508,31.08374443,0,0,6.992481333,7.258593333,7.121584667,6.987211111,6.954663765,6.85152,6.718464,0,0,1.226041937,1.671996207,1.281281691,1.002392095,0.897303395,0.66759004,0.444612905,0,0,165.54322,144.3464838,154.0336998,164.3283506,166.5362326,174.3192839,184.917652,0,0,1.416666667,1.75,1.541666667,1.361111111,1.308823529,1.166666667,1,0,0,0.033450839,1.73E-18,-0.016725419,-1.08E-18,-0.01115028,-4.55E-18,0.01115028,0,0,645.6853813,6.75E-13,-322.8426907,-1.60E-13,-215.2284604,-8.42E-13,215.2284604,0,0,1200.679538,0,-600.3397692,1.42E-13,-400.2265128,1.42E-13,400.2265128,0,0,0.126485333,2.94E-15,-0.063242667,3.90E-17,-0.042161778,-2.88E-15,0.042161778,0,0,5.367596186,1.24E-14,-2.683798093,-4.72E-16,-1.789198729,-1.25E-14,1.789198729,0,0,29.15686767,-1.14E-13,-14.57843384,6.66E-16,-9.718955891,1.14E-13,9.718955891,0,0,1.333333333,-4.58E-16,-0.666666667,-4.86E-16,-0.444444444,1.80E-16,0.444444444,0,0,0.001393785,7.23E-20,-3.48E-04,-1.51E-20,-1.64E-04,-9.49E-20,6.97E-04,0,0,26.90355756,2.81E-14,-6.725889389,-2.22E-15,-3.165124418,-1.75E-14,13.45177878,0,0,50.0283141,0,-12.50707852,1.97E-15,-5.885684011,2.96E-15,25.01415705,0,0,0.005270222,1.22E-16,-0.001317556,5.42E-19,-6.20E-04,-5.99E-17,0.002635111,0,0,0.223649841,5.16E-16,-0.05591246,-6.55E-18,-0.026311746,-2.60E-16,0.111824921,0,0,1.214869486,-4.74E-15,-0.303717372,9.25E-18,-0.142925822,2.38E-15,0.607434743,0,0,0.055555556,-1.91E-17,-0.013888889,-6.75E-18,-0.006535948,3.76E-18,0.027777778,0,0,5.19E-17,-0.25,-1.08E-17,-0.117647059,-6.81E-17,0.5,0,0,1.05E-15,-0.25,-8.25E-17,-0.117647059,-6.52E-16,0.5,0,0,0,-0.25,3.95E-17,-0.117647059,5.92E-17,0.5,0,0,2.32E-14,-0.25,1.03E-16,-0.117647059,-1.14E-14,0.5,0,0,2.31E-15,-0.25,-2.93E-17,-0.117647059,-1.16E-15,0.5,0,0,-3.90E-15,-0.25,7.62E-18,-0.117647059,1.96E-15,0.5,0,0,-3.43E-16,-0.25,-1.21E-16,-0.117647059,6.77E-17,0.5,0,0,1.4375,1.4375,0.958333333,1.014705882,0.71875,0,0,0,1.4375,1.4375,0.958333333,1.014705882,0.71875,0,0,0,1.4375,1.4375,0.958333333,1.014705882,0.71875,0,0,0,1.4375,1.4375,0.958333333,1.014705882,0.71875,0,0,0,1.4375,1.4375,0.958333333,1.014705882,0.71875,0,0,0,1.4375,1.4375,0.958333333,1.014705882,0.71875,0,0,0,1.4375,1.4375,0.958333333,1.014705882,0.71875,0,0,0,32,16,22.82842712,32,4,16.00000052,5.33E-15,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,32,16,22.82842712,32,4,16.00000052,5.33E-15,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,32,16,22.82842712,32,4,16.00000052,5.33E-15,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,32,16,22.82842712,32,4,16.00000052,5.33E-15,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,32,16,22.82842712,32,4,16.00000052,5.33E-15,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,32,16,22.82842712,32,4,16.00000052,5.33E-15,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,32,16,22.82842712,32,4,16.00000052,5.33E-15,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,0,11.9,12.10012615,-0.152797442,0.047328706,6.997875,7.198001148,8,24,24,24,8,0,0,0,0,0,17.491312,3.573186822,3.081433849,3.081433849,2.028500884,2.028500884,1.270833524,1.270833524,1.056465515,1.972542445,1.601124015,1.601124015,0.944577813,0.944577813,0.583297216,0.583297216,0.489263751,3.600648477,3.116946261,3.116946261,2.095899225,2.095899225,1.383461819,1.383461819,1.185878035,1.914964133,1.526761479,1.526761479,0.824985323,0.824985323,0.431818797,0.431818797,0.329734575,3.72034929,3.272942385,3.272942385,2.386450742,2.386450742,1.833651535,1.833651535,1.687973407,1.74405498,1.303946671,1.303946671,0.442532316,0.442532316,0.085189605,0.085189605,0.223569137,3.620820476,3.143118662,3.143118662,2.145396886,2.145396886,1.464075869,1.464075869,1.27745173,1.878174485,1.479012186,1.479012186,0.746119641,0.746119641,0.329627854,0.329627854,0.22154323,3.778078745,3.348444081,3.348444081,2.521841838,2.521841838,2.026932228,2.026932228,1.897819044,1.690174221,1.233500967,1.233500967,0.314197015,0.314197015,0.273414305,0.273414305,0.429566078,3.666666667,3.202811926,3.202811926,2.257333958,2.257333958,1.640186762,1.640186762,1.474809634,1.808142967,1.387733658,1.387733658,0.590667291,0.590667291,0.121931697,0.121931697,1.77E-15,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.656854249,4,2.828427125,2,1.414213562,1,0.707106781,0.5,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0.088388348,0.0625,5.656854249,4,2.828427125,2,1.414213562,1,0.707106781,0.5,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0.088388348,0.0625,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.1208,36.936,40,48,80,10,40,3.33E-16,4.16E-17,-28.51055062,26.73718884,3.342148605,2.628844349,64,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,0,0,12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,1.5,0.2,1.5,0.2,1.5,5.784,0,0,0,0,0,0,4,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0,0,0,4,0.5,4,0.5,0,0,-4,-0.5,0,0,7.83333,0.97917,7.83333,0,0,4,0.5,4,0,0,-0.086,-0.01075,0,0,0.333333333,8,0,0,0,0,0,0,1,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,22.03910002,22.03910002,22.03910002,22.03910002,22.03910002,22.03910002,0.200284263,0.200284263,0.200284263,0.200284263,0.200284263,0.200284263,3.666666667,3.666666667,3.666666667,3.666666667,3.666666667,3.666666667,0.200284263,0.200284263,0.200284263,0.200284263,0.200284263,0.200284263,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,31.59900002,31.59900002,31.59900002,31.59900002,31.59900002,31.59900002,6.125,3.9375,2.8125,0,0,0,2.34,1.1272,0,0,0,0,13.76640469,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.071,0.064,0.277,0.248,4.122,8,8,8,8,8,8,0,0,0,64,2.197224577,2.197224577,2.197224577,2.197224577,2.197224577,2.197224577,2.197224577,0,0,0,4.17438727,1,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,22.82842712,32,4,16.00000052,1.11E-16,1.39E-17,-29.38944046,4000009.514,500001.1892,12.16144584,0,134.567877,4,3.496507561,4.17438727,4.859812404,5.549076085,6.240275845,6.932447892,7.625107148,8.318010278,9.01103541,72.20665989,2.833213344,0,3.891820298,0,5.081404365,0,6.357842267,0,7.685703061,8.001355026,112.1252005,4.671883355,15.9375,1.9921875,0,0,0,64,8,4.552,32,1.24369445,2.144761693,2.837412989,3.440145052,3.889620775,4.164121839,0,0,0,0,81.35996807,76.13956799,65.75272132,49.25953794,17.74057831,4.231014292,0,0,0,0,297.6106482,345.8192376,330.3207034,320.7870502,224.9020855,129.436499,0,0,0,0,9.064317968,15.31600472,19.86405408,23.93243263,26.6285269,27.97650267,0,0,0,0,2.225425528,2.864285526,2.92993763,3.088110846,2.560997967,1.851422307,0,0,0,0,177.2289551,327.3780749,463.3667738,572.2363634,679.7315415,770.0196332,0,0,0,0,2.241812512,3.369482628,3.915051955,4.509255513,4.511225897,4.164121839,0,0,0,0,0.460283128,0.603695071,0.626278291,0.668649731,0.569362897,0.426406076,0,0,0,0,288.6484858,121.9192138,7.61995086,54.8778968,-23.17930063,-2.897412579,233.770589,145.0985144,10.51736344,0.840251289,0.35490495,0.022181559,0.159748711,-0.067474587,-0.008434323,99.15837018,41.88246647,2.617654155,18.85200537,-7.962701298,-0.995337662,0.0625,0.125,1.106102413,0.33021084,343.5263826,0,1,0,509.6870498,22.57624968,7.987935199,664.6796271,25.7813814,8.727116815,888.1957202,29.80261264,9.61249718,1.13975568,1.13975568,322.7245613,209.577726,198.3087774,1.53988006,1.627384151,1.056825264,3.649119862,3.615580989,5.455465417,0.508876563,4.463237866,8.375333797,7.343761211,18.81147766,15.53925671,17.03586309,13.35806737,4.114133286,4.209239483,0.822753343,1.33E-13,4.13E-48,2.48E-104,2.88E-182,6.45E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374504896,6.800227882,0.495738643,5.852388174,3.853918419,2.138598392,0.771591999,0.153107076,0.029646023,0.005794719,9.34E-16,2.91E-50,1.75E-106,2.03E-184,4.54E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208989444,6.90548007,1.679166921,7.460788833,5.002461582,3.957340825,2.721060885,0.620870392,0.308934377,0.06038544,9.73E-15,3.03E-49,1.82E-105,2.11E-183,4.73E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212888581,8.202401138,6.848682869,17.65133687,14.38639101,15.69152228,12.36830336,3.751090172,3.750356602,0.733058416,1.18E-13,3.68E-48,2.21E-104,2.57E-182,5.74E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781870483,7.041944619,2.555212871,8.872760499,6.15809739,5.568719322,4.243311642,1.043155896,0.671046735,0.131165246,2.11E-14,6.59E-49,3.96E-105,4.59E-183,1.03E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.390213985,9.102492194,9.262932396,23.52342455,20.3045452,22.50424266,17.27163605,5.595196188,6.138780178,1.199908427,1.93E-13,6.03E-48,3.62E-104,4.20E-182,9.40E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.975307689,7.494069027,4.546489958,12.61876749,9.52526758,9.873917735,7.895267012,2.187305038,1.870773119,0.365668152,5.89E-14,1.84E-48,1.10E-104,1.28E-182,2.86E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.006707551,1.886360124,0.874493221,0.420908635,0.395665659,0.501372473,0.478849791,0.555316132,4.767560897,7.189834398,15.26767842,0.224861442,1.535538396,1.489292526,1.388789456,0.379679153,0.457152156,0.426301806,0.276914447,0.262602476,0.104306936,3.257761136,3.161061488,7.20411824,0.325180943,0.643823859,1.694422217,1.586771938,0.576210439,0.439264841,0.411357403,0.358119243,0.34136407,0.240588509,3.857404594,4.579319951,9.985959441,0.275933367,0.940071822,1.993864028,1.874074745,0.862243735,0.421519471,0.396195018,0.495013235,0.472780134,0.539822492,4.730182509,7.071756196,15.02384195,0.226571734,1.507615861,1.786026052,1.67485488,0.663809433,0.433008516,0.406055905,0.397684095,0.37950656,0.319502118,4.124690365,5.288699858,11.39906625,0.258596631,1.096692773,2.046926247,1.924813539,0.912842865,0.419058575,0.394058956,0.521545869,0.498086496,0.605247762,4.884582651,7.565525678,16.04666481,0.219676297,1.624880127,1.997259441,1.87732287,0.865482239,0.421357013,0.396054284,0.496690507,0.474381298,0.54389725,4.74006455,7.102882999,15.08807392,0.226116945,1.514969055 +UMLYSI0174,L,n-decane,CCCCCCCCCC,linear alkanes,C10H22,124-18-5,15600,PubChem,,57.2,0,-2.2014,4.84616196,35.0902,32.269446,0,0,32,10,22,0,10,0,0,0,0,0,0,0,0,0,1464.994618,1564.733025,1628.407208,1462.132399,1265.37567,1068.618941,871.862212,675.105483,478.348754,4919.011395,6335.857676,8183.299058,8109.013046,7102.214701,6095.416356,5088.618011,4081.819666,3075.021321,223.211368,224.452548,424.85264,563.52166,500.63676,437.75186,374.86696,311.98206,249.09716,37.67048391,49.59807482,70.85046445,75.16732273,66.14579387,57.12426502,48.10273616,39.0812073,30.05967844,5336.131905,4509.845254,9421.85879,13490.4332,12011.47804,10532.52289,9053.567731,7574.612576,6095.657421,48,57.75,92.5,110.25,98,85.75,73.5,61.25,49,45.78108181,50.47525887,27.14012013,18.05101727,17.57466208,16.96220541,16.14559652,15.00234407,13.28746539,153.7191061,204.3825057,136.3883176,100.1112722,98.64187085,96.75264057,94.23366687,90.70710369,85.41725893,6.97535525,7.240404774,7.080877333,6.957057531,6.953288333,6.948442222,6.941980741,6.932934667,6.919365556,1.177202622,1.599937897,1.180841074,0.927991639,0.918691582,0.906734365,0.89079141,0.868471273,0.834991068,166.754122,145.4788792,157.0309798,166.548558,166.8260839,167.1829029,167.6586617,168.3247239,169.3238172,1.5,1.862903226,1.541666667,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,0.045709501,-0.004413885,-0.021126449,-9.91E-05,-2.81E-06,7.19E-08,1.51E-06,1.32E-05,4.11E-05,832.3288119,-57.22260582,-365.0896834,-10.87702425,-11.34993834,-11.82285244,-12.29576654,-12.76868064,-13.24159473,1547.750967,-106.407879,-678.8998562,-20.22629105,-21.10569501,-21.98509897,-22.86450293,-23.74390689,-24.62331084,0.1630475,-0.011209516,-0.071518562,-0.002130734,-0.002223375,-0.002316016,-0.002408656,-0.002501297,-0.002593938,6.919166958,-0.475692728,-3.034998234,-0.090420932,-0.094352277,-0.098283622,-0.102214966,-0.106146311,-0.110077656,37.58502473,-2.58397045,-16.48615858,-0.491167937,-0.512523065,-0.533878192,-0.55523332,-0.576588448,-0.597943575,2.875,-0.66015625,-1.015625,0.03515625,0.03125,0.02734375,0.0234375,0.01953125,0.015625,0.001428422,-1.42E-04,-3.52E-04,-1.22E-06,-3.91E-08,1.14E-09,2.80E-08,2.94E-07,1.14E-06,26.01027537,-1.84589051,-6.084828057,-0.13428425,-0.157638033,-0.187664324,-0.22769938,-0.283748459,-0.367822076,48.36721773,-3.432512226,-11.3149976,-0.249707297,-0.293134653,-0.348969825,-0.423416721,-0.527642375,-0.683980857,0.005095234,-3.62E-04,-0.001191976,-2.63E-05,-3.09E-05,-3.68E-05,-4.46E-05,-5.56E-05,-7.21E-05,0.216223967,-0.015344927,-0.050583304,-0.001116308,-0.001310448,-0.001560057,-0.00189287,-0.002358807,-0.003057713,1.174532023,-0.083353885,-0.27476931,-0.006063802,-0.007118376,-0.008474257,-0.010282099,-0.012813077,-0.016609544,0.08984375,-0.021295363,-0.016927083,4.34E-04,4.34E-04,4.34E-04,4.34E-04,4.34E-04,4.34E-04,-0.099678795,-0.246501033,-8.57E-04,-2.74E-05,7.99E-07,1.96E-05,2.06E-04,8.00E-04,-0.070967742,-0.233939394,-0.005162738,-0.006060606,-0.007215007,-0.008754209,-0.010909091,-0.014141414,-0.070967742,-0.233939394,-0.005162738,-0.006060606,-0.007215007,-0.008754209,-0.010909091,-0.014141414,-0.070967742,-0.233939394,-0.005162738,-0.006060606,-0.007215007,-0.008754209,-0.010909091,-0.014141414,-0.070967742,-0.233939394,-0.005162738,-0.006060606,-0.007215007,-0.008754209,-0.010909091,-0.014141414,-0.070967742,-0.233939394,-0.005162738,-0.006060606,-0.007215007,-0.008754209,-0.010909091,-0.014141414,-0.237026648,-0.188405797,0.004830918,0.004830918,0.004830918,0.004830918,0.004830918,0.004830918,1.628984413,1.403214125,0.924977432,0.921560946,0.918143875,0.913606549,0.907099062,0.896992195,1.6,1.427878788,0.946352413,0.939393939,0.93044733,0.918518519,0.901818182,0.876767677,1.6,1.427878788,0.946352413,0.939393939,0.93044733,0.918518519,0.901818182,0.876767677,1.6,1.427878788,0.946352413,0.939393939,0.93044733,0.918518519,0.901818182,0.876767677,1.6,1.427878788,0.946352413,0.939393939,0.93044733,0.918518519,0.901818182,0.876767677,1.6,1.427878788,0.946352413,0.939393939,0.93044733,0.918518519,0.901818182,0.876767677,1.826086957,1.168115942,0.798711755,0.823671498,0.855762595,0.898550725,0.958454106,1.048309179,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,68.68574351,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,0,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,75.83469465,37.85068066,60.84580395,75.72802798,7.572802798,37.85068066,-0.133333333,1.67E-16,1.67E-17,-36.33133546,48.66635119,4.866635119,3.884987851,0,11.89,12.11015511,-0.170505165,0.049865171,5.112413351,7.407268787,9,31,31,31,9,0,0,0,0,0,24.050554,3.512805123,3.337201265,3.062823148,2.716438049,2.333784739,1.956334141,1.624183802,1.365317391,1.932483317,1.815532584,1.632737175,1.405372919,1.164335932,0.942762779,0.763930039,0.634799578,3.541651349,3.370182286,3.102652658,2.765819865,2.395430027,2.032725436,1.716720514,1.473124754,1.872049897,1.747200105,1.552915661,1.311754829,1.055524963,0.818635077,0.626272471,0.486878003,3.667491355,3.514173242,3.276143496,2.979400328,2.658834882,2.35356873,2.097021803,1.906139155,1.692420704,1.542675643,1.31032137,1.021062963,0.709480343,0.414138296,0.167326491,0.015415667,3.562848207,3.394431523,3.131931389,2.80206165,2.440523319,2.088317692,1.783588016,1.550406129,1.833409087,1.703366429,1.501368098,1.250760393,0.983965445,0.73625379,0.534158895,0.387266279,3.728198738,3.583545209,3.359192445,3.080350168,2.781097802,2.499169271,2.265278097,2.093146298,1.635759561,1.477872193,1.232516296,0.925996536,0.593542969,0.274941482,0.005070189,0.197167147,3.56934017,3.442789514,3.216871357,2.905546292,2.548605827,2.198203331,1.90041371,1.678949589,1.806934966,1.642036503,1.400603284,1.122039913,0.842915067,0.590043505,0.381370055,0.225766441,0,0,0,0,0,2,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.656854249,4.914213562,3.121320344,1.957106781,1.207106781,0.728553391,0.426776695,0.239276695,0.765685425,0.546023729,0.390165043,0.279586683,0.201184464,0.145710678,0.106694174,0.079758898,7.656854249,4.914213562,3.121320344,1.957106781,1.207106781,0.728553391,0.426776695,0.239276695,0.765685425,0.546023729,0.390165043,0.279586683,0.201184464,0.145710678,0.106694174,0.079758898,15.96010584,30.76620539,28.98039216,29.36,18.7840994,246.5681114,0.498753308,0.961443918,0.905637255,0.9175,0.587003106,7.705253481,4.147,48.284,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,122,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,0,0,0,0,0,0,0,0,0,0,0,2,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,4.539767731,0,11.46023227,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.269883866,0,1.36882716,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.269883866,0,1.466111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,1.6,0.2,2.269883866,0.2,1.36882716,7.485011613,0.13117284,0.269883866,1.079535462,0.13117284,0.269883866,1.079535462,5,0.5,0,0,0.425,0.7,0.425,0.425,0.7,0,0,0,0,0.71429,0,0,0.2,0,0,4.5,0.45,4.5,0.45,0,0,-4.5,-0.45,0,0,10.82617,1.08262,10.82617,0,0,4.91421,0.49142,4.91421,0,0,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,9,0,0,0,0,0,0,1,0.896038233,1.121640762,1.905639062,2.358458593,2.352217001,2.021782222,28.67322344,35.89250439,60.98044999,75.47067499,75.27094405,64.69703109,0.179207647,0.224328152,0.381127812,0.471691719,0.4704434,0.404356444,4.103961767,3.878359238,3.094360938,2.641541407,2.647782999,2.978217778,0.180864499,0.226402163,0.384651504,0.476052713,0.474792853,0.408094895,6.667318507,9.374548863,12.39410975,13.36908858,12.84418217,10.28173396,39.63994499,35.17609677,33.01842031,31.58458593,33.04547782,37.3049511,10,9,9.142857143,10,0,10,2.56,1.5176,0.111111111,4.250401119,0,0,11.24058363,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,4.764,8,7,6,5,4,3,2,1,0,55,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,4.025351691,1,0.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0.777777778,9,1,1,5,9,0.8,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0,0,0.055555556,0.027777778,0.017857143,0.013333333,0.011111111,0.010204082,0.010416667,0.012345679,0,0,0.158601348,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,0,181.516305,4.321928095,3.555348061,4.17438727,4.812184355,5.451038454,6.098074282,6.744059186,7.394493107,8.04334217,8.695004593,73.96793148,2.944438979,0,3.931825633,0,5.056245805,0,6.244166901,0,7.466799475,7.82284529,142.1721507,4.44287971,18.82909733,1.882909733,0,0,0,165,7,6.03,34,1.232032258,2.126816784,2.853478777,3.591182009,4.927171109,5.939369942,7.256069977,8.351068313,9.639996477,10.7432104,73.3510472,64.85722262,63.21784037,82.25633201,99.99898706,114.6708222,124.7862759,126.3910231,111.1472603,53.69799054,277.889902,310.8455964,315.7583328,419.33635,526.7493238,623.7543861,709.8426041,768.6351914,778.0286238,656.6194205,8.95613516,15.1083947,19.90650427,25.16007837,34.36215858,41.41828006,50.44784132,57.95480916,66.61187972,73.71761161,2.112699944,2.639415831,2.821462502,3.728246744,4.782526661,5.713564368,6.635830492,7.34492241,7.781398572,7.356887,177.010611,330.4530093,471.509208,584.8518716,814.4923176,981.697822,1210.798686,1401.089409,1638.630883,1863.963709,2.361072581,3.360669099,3.986003833,5.194605394,6.925482084,8.405321627,10.13863169,11.69622522,13.51290248,14.60058202,0.438284758,0.558867937,0.604275049,0.797031725,1.026662266,1.228052559,1.431495255,1.590015103,1.696931383,1.63087908,518.806276,289.9483775,12.87982094,185.6728382,-103.7680936,-11.19483188,333.1334378,393.7164711,24.07465282,0.736439542,0.411578387,0.018282758,0.263560458,-0.147297615,-0.015890935,365.4881858,204.2625762,9.073564845,130.8026366,-73.10245464,-7.88652525,0.047235381,0.116601667,0.717876105,7.744630494,704.4791142,0,1,0,558.7341223,23.63755745,8.236355148,771.8489161,27.78216903,9.17298675,886.8236151,29.77958386,9.60754476,3.5468948,3.5468948,1919.023544,1889.905618,62.49348786,1.01540708,30.70757626,30.24164089,5.191248624,6.901696073,12.51757278,0.813695162,6.135812176,8.536735897,3.299079542,35.84605019,15.41652225,0.143561376,5.950185579,9.031373116,21.58597966,1.271385627,2.190334646,21.20866241,4.670917491,16.95680387,2.706616095,0.752742321,4.229476654,4.699786721,5.486966136,4.287083639,2.590008367,0.829633961,0.282376383,2.450972911,1.56E-10,2.42E-42,7.26E-96,4.19E-171,4.67E-268,0,0.514936198,8.536277482,0.229480196,8.149216747,0.1120919,0.00124132,0.890646665,0.33794726,6.322296711,0.046024466,0.0194948,1.278356878,0.15123111,4.295801438,0.114384975,0.062463041,0.19262003,0.087008273,1.860278089,0.186279763,0.153140911,0.006395501,0.02369758,0.017262403,1.10E-12,1.71E-44,5.11E-98,2.95E-173,3.29E-270,0,1.662276818,8.53630898,0.772015801,10.14002909,1.140508706,0.010951644,1.923306853,1.367680506,8.324227981,0.188552494,0.167911555,4.394495877,0.646840448,6.389425923,0.443551105,0.192169477,0.719859502,0.483436004,2.600545409,0.715661476,0.526900461,0.06141166,0.076498884,0.179887545,1.15E-11,1.78E-43,5.33E-97,3.08E-172,3.43E-269,0,5.791706176,8.536685874,3.081432048,32.85472731,13.73826204,0.12800671,5.640409008,8.235689213,20.25755357,1.158306593,1.953183017,19.65173565,4.24318299,16.00809315,2.477181099,0.706523752,3.877356132,4.224543719,5.264936868,3.927188449,2.397079319,0.739251617,0.266540056,2.183772738,1.39E-10,2.16E-42,6.47E-96,3.74E-171,4.16E-268,0,2.449890184,8.536349034,1.169401236,12.59419135,2.468694907,0.023359993,2.632225263,2.295700789,10.02917513,0.318340494,0.357296923,6.816314306,1.113832501,7.972349123,0.728886639,0.284532692,1.169909738,0.917434176,3.108720773,1.170421923,0.820191012,0.132737801,0.112745489,0.390739785,2.49E-11,3.86E-43,1.16E-96,6.68E-172,7.45E-269,0,7.409881809,8.536946046,4.138685091,48.39279078,22.47209342,0.208921804,7.097188786,12.27659263,26.95189452,1.733284417,3.186773388,27.35568131,6.426123281,20.66657745,3.6364311,0.928365349,5.652425365,6.678366622,6.309047419,5.743201037,3.354007826,1.209678239,0.341011397,3.574513645,2.28E-10,3.54E-42,1.06E-95,6.12E-171,6.81E-268,0,3.922039033,8.058513549,1.86354965,18.64212039,6.031401034,0.056451695,3.790406127,4.224834171,13.54827596,0.590810862,0.862041917,11.771524,2.125201575,11.38913255,1.299436218,0.428009726,2.25564885,1.972804874,4.883516439,2.071174959,1.673837389,0.324741455,0.22060496,0.957411294,6.10E-11,9.47E-43,2.84E-96,1.64E-171,1.82E-268,0,14.5824455,0.781085363,0.517444134,0.918233641,0.049183716,0.557853601,0.624350483,0.624984453,15.880975,19.33990367,41.11463708,0.877350462,1.807188537,13.17544307,0.322100342,0.117303726,0.967726111,0.023658021,0.4555665,0.106092527,0.032119287,13.61484714,5.827126863,19.93978928,0.951589166,0.593778314,13.7511616,0.510061604,0.281066426,0.945598111,0.035074367,0.4961626,0.266252103,0.184399704,14.54228963,11.02229057,27.53596311,0.918397166,0.946814407,14.54926899,0.770276725,0.508012006,0.919236514,0.048666809,0.555321902,0.607205602,0.602407305,15.82755773,18.98947642,40.51030604,0.878854772,1.764934808,14.00045607,0.591383708,0.351963501,0.936873687,0.039573842,0.514281772,0.357964695,0.289159548,14.94380328,13.41543665,31.2733716,0.90531053,1.161406014,14.68579654,0.814752275,0.546826121,0.915152578,0.050771686,0.565777426,0.679272743,0.697976469,16.04737494,20.44139112,43.03169706,0.872728867,1.943026639,14.60199397,0.771824156,0.509611983,0.919322456,0.04859304,0.559344875,0.609608846,0.606207829,15.88343011,19.10485362,40.73169827,0.878983683,1.775161549 +UMLYSI0175,L,2-methyl-1-heptene,CCCCCC(=C)C,alkenes,C8H16,15870-10-7,27519,PubChem,,56.6,0,0.4036,0.16289296,33.9281,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1311.595663,1090.715309,849.680164,646.827051,450.070322,143.338608,15.24096,3885.475125,4800.404174,6060.218294,6004.453783,4921.312267,3728.011456,2721.213111,1572.940224,466.2561665,167.819552,166.665724,297.509884,365.04626,374.068624,270.87294,207.98804,145.478592,100.77696,29.42500648,37.33900896,51.13810539,54.24031728,46.76487335,35.07566706,26.0541382,16.69511646,6.669193573,3973.037281,3337.521256,6596.59581,8403.043401,9117.157939,6528.696872,5049.741717,3533.524545,2773.76478,44.77777778,50.58333333,72.66666667,87.58333333,78.33333333,60.16666667,48.5,35,15,48.76541633,52.3287937,31.22846817,20.9752944,15.73481785,16.585309,15.00234407,6.825648,1.016064,161.8947969,208.713225,144.2909118,115.4702651,91.13541236,95.59003733,90.70710369,74.90191545,31.08374443,6.992481333,7.246335826,7.083568667,7.020120385,6.927196741,6.94546,6.932934667,6.927552,6.718464,1.226041937,1.623435172,1.217573938,1.043083025,0.866016173,0.899376078,0.868471273,0.795005546,0.444612905,165.54322,145.1096198,157.061805,161.5969885,168.8362581,167.4024839,168.3247239,168.2630736,184.917652,1.865740741,2.199275362,1.73015873,1.684294872,1.450617284,1.542735043,1.616666667,1.666666667,1,0.047606822,-0.004326056,-0.012636488,-0.020972032,0.011109566,0.00223103,7.24E-05,-0.012320079,0.013038287,645.6853813,-53.80711511,-121.066009,-269.0355756,80.71067267,-2.17E-13,-2.17E-13,-161.4213453,201.7766817,1200.679538,-100.0566282,-225.1274134,-500.283141,150.0849423,1.42E-13,1.42E-13,-300.1698846,375.2123557,0.126485333,-0.010540444,-0.023716,-0.052702222,0.015810667,-7.38E-16,-7.24E-16,-0.031621333,0.039526667,5.367596186,-0.447299682,-1.006424285,-2.236498411,0.670949523,-2.69E-15,-2.69E-15,-1.341899046,1.677373808,29.15686767,-2.429738973,-5.466912688,-12.14869486,3.644608459,2.73E-14,2.73E-14,-7.289216918,9.111521147,5.592592593,-1.308641975,0.898148148,-2.570987654,0.388888889,-0.101851852,1.009259259,-2.268518519,1.157407407,0.001983618,-1.88E-04,-3.01E-04,-4.03E-04,2.06E-04,5.72E-05,2.41E-06,-5.87E-04,8.69E-04,26.90355756,-2.339439787,-2.882524024,-5.173761068,1.494642086,-5.56E-15,-7.22E-15,-7.68673073,13.45177878,50.0283141,-4.350288182,-5.36017651,-9.620829634,2.779350783,3.64E-15,4.74E-15,-14.29380403,25.01415705,0.005270222,-4.58E-04,-5.65E-04,-0.001013504,2.93E-04,-1.89E-17,-2.41E-17,-0.001505778,0.002635111,0.223649841,-0.019447812,-0.023962483,-0.043009585,0.012424991,-6.90E-17,-8.97E-17,-0.063899955,0.111824921,1.214869486,-0.105640825,-0.130164588,-0.233628747,0.067492749,7.00E-16,9.10E-16,-0.347105568,0.607434743,0.233024691,-0.056897477,0.02138448,-0.04944207,0.007201646,-0.002611586,0.033641975,-0.108024691,0.077160494,-0.094821409,-0.151676793,-0.203319586,0.103715914,0.02883918,0.001215969,-0.295757824,0.438198937,-0.086956522,-0.107142857,-0.192307692,0.055555556,-2.07E-16,-2.69E-16,-0.285714286,0.5,-0.086956522,-0.107142857,-0.192307692,0.055555556,7.28E-17,9.47E-17,-0.285714286,0.5,-0.086956522,-0.107142857,-0.192307692,0.055555556,-3.59E-15,-4.58E-15,-0.285714286,0.5,-0.086956522,-0.107142857,-0.192307692,0.055555556,-3.09E-16,-4.01E-16,-0.285714286,0.5,-0.086956522,-0.107142857,-0.192307692,0.055555556,5.76E-16,7.49E-16,-0.285714286,0.5,-0.244169306,0.091769158,-0.212175242,0.030905077,-0.011207336,0.144370861,-0.463576159,0.331125828,1.42516029,1.204727669,1.140629057,0.753005874,0.862985534,0.989666076,1.329239531,0.092484987,1.5,1.232142857,1.202524038,0.798611111,0.884615385,0.8625,1.129464286,0,1.5,1.232142857,1.202524038,0.798611111,0.884615385,0.8625,1.129464286,0,1.5,1.232142857,1.202524038,0.798611111,0.884615385,0.8625,1.129464286,0,1.5,1.232142857,1.202524038,0.798611111,0.884615385,0.8625,1.129464286,0,1.5,1.232142857,1.202524038,0.798611111,0.884615385,0.8625,1.129464286,0,1.624172185,0.618791391,1.331316862,0.710816777,0.922694855,0.931043046,1.958372753,0,39.11172033,19.55586017,31.45134926,39.11172033,4.888965041,19.55586018,-7.11E-15,0.119590444,0.014948806,-1.698945869,35.74914687,4.468643358,2.861221124,39.11172033,19.55586017,31.45134926,39.11172033,4.888965041,19.55586018,-7.11E-15,0.119590444,0.014948806,-1.698945869,35.74914687,4.468643358,2.861221124,39.11172033,19.55586017,31.45134926,39.11172033,4.888965041,19.55586018,-7.11E-15,0.119590444,0.014948806,-1.698945869,35.74914687,4.468643358,2.861221124,39.11172033,19.55586017,31.45134926,39.11172033,4.888965041,19.55586018,-7.11E-15,0.119590444,0.014948806,-1.698945869,35.74914687,4.468643358,2.861221124,39.11172033,19.55586017,31.45134926,39.11172033,4.888965041,19.55586018,-7.11E-15,0.119590444,0.014948806,-1.698945869,35.74914687,4.468643358,2.861221124,39.11172033,19.55586017,31.45134926,39.11172033,4.888965041,19.55586018,-7.11E-15,0.119590444,0.014948806,-1.698945869,35.74914687,4.468643358,2.861221124,52.80344388,26.18505528,43.14011896,52.47844388,6.559805486,26.18505528,-0.433333333,0.159749533,0.019968692,-1.46731849,40.15791586,5.019739483,2.954255663,0,11.89,12.11011416,-0.173302395,0.049687067,5.13829153,7.665592601,7,23,22,22,6,1,1,0,0,1,17.491312,3.539105243,3.258370555,2.75516202,2.244829288,2.113690229,1.557472295,1.181034084,0.424404601,1.908875758,1.724610087,1.425824394,1.138280193,1.019916385,0.72464196,0.544458046,0.083923071,3.562541743,3.290012753,2.802551637,2.314357344,2.181915347,1.652735799,1.30063981,0.536926659,1.852197606,1.656997447,1.333508773,1.025523799,0.903077781,0.584444905,0.389533465,0.270913902,3.668413336,3.428986552,3.008710997,2.604787935,2.472117559,2.04345003,1.772732791,0.963715902,1.690070444,1.456664232,1.049161401,0.659504785,0.527578272,0.115504894,0.142997915,0.943918427,3.57996308,3.31332112,2.837395018,2.36482508,2.231768889,1.721536562,1.385840592,0.616167369,1.816480241,1.613804056,1.273548747,0.950827409,0.825924162,0.490519126,0.284773249,0.399277246,3.721530429,3.496452411,3.106857167,2.736329812,2.605789904,2.215796659,1.973080179,1.207644823,1.641167714,1.393818373,0.956974617,0.533742098,0.400440609,0.050878183,0.338785877,1.134156552,3.649270241,3.316572821,2.861491394,2.581905657,2.275935088,1.753404805,1.436946794,0.676941018,1.855165481,1.563612028,1.213388294,0.844104109,0.642486147,0.413793524,0.201736417,0.545454545,0,0,1,0,1,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.25,0,0,0,0.288675135,0.204124145,0.144337567,0.176776695,0.125,0.088388348,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,6.035533906,3.414213562,2.414213562,1.207106781,0.676776695,0.338388348,0.213388348,0,0.754441738,0.487744795,0.344887652,0.241421356,0.169194174,0.112796116,0.106694174,0,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,5,2,0,1,0,0,0,0,0,0,0,0,2,1,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.1449452,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.356772959,0,0,0,1.188296485,0.580555556,0,0.356772959,0,0,0,0,0,0,0,0,4.313573318,3.826935941,5.208148148,0,0,0,0,0,0,1.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.356772959,0,0,0,0.212046485,0.290277778,0,0.356772959,0,0,0,0,0,0,0,0,2.092916667,3.826935941,1.216111111,0,0,0,0,0,0,1.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.826935941,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.356772959,0,0,0,0.290277778,0.290277778,0,0.356772959,0,0,0,0,0,0,0,0,2.220656652,3.826935941,1.354027778,0,0,0,0,0,0,1.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66666667,1.833333333,0.356772959,3.826935941,0.064652778,1.216111111,5.404917405,0.348657407,0.826935941,2.281018519,0.348657407,0.826935941,2.281018519,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.375,0.125,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,7.0764,0.88455,8.40872,1.33232,0.16654,3.22875,0.40359,3.77005,0.5413,0.06766,0.14395,0.01799,0.14395,0.01799,0,7,0,0,0,0,0,0,0.75,0.918295834,2.082551817,3.375814584,3.573934896,3.371653522,3.378733731,22.03910002,49.98124361,81.01955001,85.77443751,80.91968454,81.08960954,0.200284263,0.45421349,0.73627965,0.77949054,0.735372104,0.736916328,3.666666667,2.502410684,1.209147917,1.011027604,1.213308978,1.20622877,0.200284263,0.45421349,0.73627965,0.77949054,0.735372104,0.736916328,6.73287657,16.72064472,20.20180045,18.22369792,18.01983369,18.10479619,31.59900002,19.42915877,15.6149125,17.71867188,18.35350563,13.89598688,8,5.142857143,7.2,8,2,7,2.34,1.1928,0.721124785,4.146039495,1.754410643,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.104,0.088,0.143,0.175,3.636,7,5,4,3,2,0,0,0,0,36,2.197224577,2.302585093,1.945910149,1.791759469,1.609437912,1.386294361,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,0,144.287877,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,112.1252005,4.671883355,14.66595917,1.833244896,0,0,0,79,5,4.019,28,1.226391304,2.124982577,2.913682593,3.59020099,4.707679399,5.788273043,6.813690802,7.783973498,0,0,74.73814722,75.24462153,70.57482386,70.69443806,92.68523106,99.9600607,49.91676879,7.909015248,0,0,280.6431588,331.8074668,361.725961,372.6521964,498.5821151,568.0757762,536.069863,241.9550429,0,0,8.920641989,15.10881206,20.5047046,24.99277592,32.83473137,40.24967507,47.32488478,52.29634572,0,0,2.124868553,2.740518407,3.188233503,3.401522377,4.551334499,5.306566586,5.622523323,3.460855068,0,0,175.8569114,329.7120941,467.3281188,597.0382083,777.7649404,965.3525927,1136.72008,1439.394103,0,0,2.764554348,3.827420194,5.025094693,5.423909313,7.572205855,9.673019565,11.67702254,7.783973498,0,0,0.4404825,0.577800983,0.680027566,0.731117061,0.977737305,1.144570415,1.231119261,0.797078886,0,0,406.4926369,194.8271203,11.88978728,166.6149554,-79.85658046,-10.87166135,239.8776815,274.6837008,22.76144863,0.709278052,0.339948594,0.02074617,0.290721948,-0.139339596,-0.018969669,232.9640165,111.6569019,6.814127364,95.48829596,-45.76641256,-6.23063166,0.111481197,0.208038405,3.511858013,4.344238128,573.1075924,0,1,0,457.3961477,21.38682182,7.704849633,612.8133496,24.75506715,8.493944243,723.0906222,26.8903444,8.975615566,2.070431731,2.070431731,789.3906172,732.0631161,77.38613036,1.078309506,10.20067309,9.459874951,4.460178277,4.466158665,8.866384695,0.985237283,4.625737202,5.862558327,5.36475223,20.27076062,6.193000528,3.953833738,4.663894636,9.834924744,10.10135279,0.668025582,6.112125077,3.605516397,5.130744551,2.052163217,4.104155385,0.091253426,0.335545995,7.34E-18,3.09E-56,2.52E-116,3.95E-198,1.20E-301,0,0,0,0,0,0,0,0,0.388216777,5.862268046,0.237110247,6.672690133,0.057166125,0.186886709,0.588322829,0.345612278,3.85198445,0.032876877,0.080997035,1.224221614,0.268240324,1.029277365,0.056695188,6.46E-04,0.002363278,5.17E-20,2.18E-58,1.77E-118,2.78E-200,8.42E-304,0,0,0,0,0,0,0,0,1.253185036,5.862288025,0.905849138,7.803277949,0.488791452,0.698619526,1.302915944,1.430399237,4.846228275,0.121408404,0.543759597,1.668980999,0.972887867,1.237625798,0.372617835,0.006705108,0.024627178,5.38E-19,2.27E-57,1.85E-117,2.90E-199,8.77E-303,0,0,0,0,0,0,0,0,4.366319238,5.862526662,4.917145322,18.85632583,5.526986932,3.632241687,4.372887835,8.952521357,9.619226073,0.614596802,5.47109784,3.445119836,4.731218437,1.989385673,3.675863129,0.081307202,0.298965441,6.54E-18,2.76E-56,2.24E-116,3.52E-198,1.06E-301,0,0,0,0,0,0,0,0,1.84695863,5.862313401,1.477130333,9.067845864,1.028809914,1.126270537,1.828295851,2.428102553,5.612294666,0.194390672,1.089561478,1.986561251,1.542087776,1.38078241,0.740992695,0.014557089,0.053493521,1.17E-18,4.93E-57,4.01E-117,6.30E-199,1.91E-302,0,0,0,0,0,0,0,0,5.586245157,5.862691341,7.17384129,26.16855998,8.988656291,5.247847869,5.788485618,13.44436894,11.99947672,0.88236355,8.794175591,4.215987353,6.725649645,2.284778705,5.894883972,0.133074868,0.489362299,1.07E-17,4.51E-56,3.67E-116,5.76E-198,1.74E-301,0,0,0,0,0,0,0,0,2.63514794,4.589803291,2.07057546,10.96531918,1.911995613,1.693012552,2.211604445,3.484312241,7.059796417,0.253339235,1.892996826,3.261822986,2.748035826,1.777017358,1.32861379,0.027161262,0.099831866,2.18E-18,9.21E-57,7.49E-117,1.18E-198,3.56E-302,0,0,0,0,0,0,0,0,7.554660235,1.134511903,0.414643513,0.829834492,0.124619385,0.558467684,0.483971085,0.499982783,9.103815651,12.17376082,24.83142463,0.744751738,1.542421553,6.465788702,0.601925496,0.089390603,0.903408415,0.084101814,0.409448378,0.1386788,0.02323748,7.1571048,4.5237103,12.02871645,0.855112622,0.571364658,6.898007479,0.813697182,0.218570501,0.869832047,0.102606425,0.465814447,0.251675374,0.138927556,7.930275162,7.298440401,16.45552758,0.804748071,0.856417377,7.527679316,1.121350092,0.406591167,0.831271502,0.123829182,0.554493733,0.473019583,0.480752088,9.055620575,11.95778286,24.44550611,0.746907253,1.508265404,7.09077347,0.907984247,0.276151299,0.856900475,0.109727399,0.492135206,0.31239214,0.221768307,8.274909016,8.647177942,18.70003479,0.785350713,1.026295653,7.639137296,1.175711013,0.439853257,0.825433132,0.127039322,0.5710027,0.519027486,0.562627459,9.254701566,12.85865759,26.06386504,0.738149697,1.652657645,7.548807956,1.127650747,0.406481239,0.831097421,0.124150413,0.557668533,0.479769172,0.480492165,9.082939941,12.03923661,24.58231514,0.746646131,1.51792987 +UMLYSI0176,L,"2,4-dimethylhexane",CCC(C)CC(C)C,linear alkanes,C8H18,589-43-5,11511,PubChem,,56.1,0,0.532,0.283024,36.4788,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1483.122152,1322.777238,1077.763517,629.730194,178.815168,18.289152,0,3947.642614,5029.877407,6806.459662,7324.378233,6375.170056,4638.363184,2402.602963,559.5073998,0,181.25648,180.900988,339.441056,442.565592,498.218036,374.819528,307.120896,120.932352,0,30.31423229,39.56609758,57.48793273,66.15786616,61.12578116,46.08988759,28.03475758,8.003032287,0,4342.872585,3643.766351,7584.388218,10156.44855,12196.78175,9042.633905,7939.753089,3328.517736,0,42.05555556,49.66666667,75.69444444,98.66666667,100.3333333,81,57,18,0,45.09238923,49.11105724,30.89837817,20.9964641,14.96893774,11.66167026,3.9736704,1.016064,0,151.8324082,201.1950963,141.801243,116.259972,88.54402856,85.89561452,53.39117695,31.08374443,0,6.971403077,7.23603952,7.071688667,7.024850667,6.919694944,6.94110237,6.8249088,6.718464,0,1.165932011,1.582643903,1.197665265,1.05012486,0.848969183,0.853516437,0.622994613,0.444612905,0,167.033561,145.7506541,158.0080879,161.213469,169.3997466,167.4561834,176.4389575,184.917652,0,1.617521368,1.986666667,1.576967593,1.566137566,1.393518519,1.5,1.266666667,1,0,0.036019739,-0.006995104,-0.002153772,-0.016225517,0.008513475,-0.012088906,0.00138496,0.009554995,0,670.5194345,-58.02572029,-45.8474827,-339.5579187,89.54586464,-256.4593563,68.77122405,206.3136721,0,1246.859521,-107.9013047,-85.25535183,-631.4224495,166.5143591,-476.8971243,127.8830278,383.6490833,0,0.131350154,-0.01136684,-0.008981207,-0.066517065,0.01754142,-0.050238627,0.013471811,0.040415432,0,5.574042193,-0.482369036,-0.38113109,-2.822752136,0.74439666,-2.131952035,0.571696635,1.715089906,0,30.27828566,-2.620236259,-2.070310131,-15.3332344,4.043574474,-11.58079729,3.105465196,9.316395587,0,3.487179487,-1.752629849,0.743754109,-1.533037475,1.304733728,-0.883629191,-0.477810651,0.855029586,0,0.001385375,-2.80E-04,-4.49E-05,-2.58E-04,1.18E-04,-2.24E-04,3.08E-05,5.31E-04,0,25.78920902,-2.321028812,-0.95515589,-5.389808234,1.243692565,-4.74924734,1.528249423,11.46187067,0,47.95613541,-4.316052187,-1.776153163,-10.02257856,2.312699431,-8.831428228,2.841845061,21.31383796,0,0.005051929,-4.55E-04,-1.87E-04,-0.001055826,2.44E-04,-9.30E-04,2.99E-04,0.002245302,0,0.214386238,-0.019294761,-0.007940231,-0.044805589,0.010338843,-0.039480593,0.01270437,0.095282773,0,1.164549448,-0.10480945,-0.043131461,-0.243384673,0.056160757,-0.214459209,0.069010338,0.517577533,0,0.134122288,-0.070105194,0.015494877,-0.024333928,0.018121302,-0.016363504,-0.010618014,0.047501644,0,-0.201970052,-0.032388529,-0.185904881,0.08535071,-0.161594291,0.022215568,0.383169348,0,-0.09,-0.037037037,-0.208994709,0.048225309,-0.184156379,0.059259259,0.444444444,0,-0.09,-0.037037037,-0.208994709,0.048225309,-0.184156379,0.059259259,0.444444444,0,-0.09,-0.037037037,-0.208994709,0.048225309,-0.184156379,0.059259259,0.444444444,0,-0.09,-0.037037037,-0.208994709,0.048225309,-0.184156379,0.059259259,0.444444444,0,-0.09,-0.037037037,-0.208994709,0.048225309,-0.184156379,0.059259259,0.444444444,0,-0.522696078,0.115527982,-0.181430906,0.135110294,-0.122004357,-0.079166667,0.354166667,0,1.736836292,1.097051805,1.26310628,0.77917945,1.144207119,0.699032655,1.87E-05,0,1.625,1.222511574,1.28968254,0.815007716,1.086676955,0.601851852,0,0,1.625,1.222511574,1.28968254,0.815007716,1.086676955,0.601851852,0,0,1.625,1.222511574,1.28968254,0.815007716,1.086676955,0.601851852,0,0,1.625,1.222511574,1.28968254,0.815007716,1.086676955,0.601851852,0,0,1.625,1.222511574,1.28968254,0.815007716,1.086676955,0.601851852,0,0,2.134803922,0.717741524,1.204335901,0.705295139,1.250170207,0.955882353,0,0,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,36.79288235,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,1.42E-14,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,47.89266769,23.81786162,36.90702939,47.69995936,5.96249492,23.81786163,-0.256944444,0.002779983,3.47E-04,-4.708248382,27.87218818,3.484023522,2.662103482,0,11.89,12.11011416,-0.164612092,0.056117657,5.441366761,8.27075799,7,25,25,25,7,0,0,0,0,0,19.677726,3.553387335,3.186361378,2.70465292,2.333552793,2.211476357,1.741961771,1.115201586,0.882379902,1.941354195,1.711809299,1.439357507,1.249629723,1.113400739,0.837005275,0.424899233,0.340133507,3.579223546,3.222241282,2.758533368,2.405454588,2.280960637,1.830507057,1.226270859,1.013471333,1.883956111,1.636692126,1.341388541,1.134540686,0.998783506,0.703877645,0.272406879,0.17770596,3.693390468,3.379997685,2.989220212,2.704236987,2.572763368,2.194586449,1.673112861,1.523992969,1.716289813,1.411364586,1.033791891,0.76031856,0.627978952,0.262023828,0.24590054,0.385913507,3.598287441,3.248695134,2.797945256,2.457539916,2.331494498,1.894476573,1.305958274,1.106400464,1.847506818,1.588430577,1.27729714,1.058262671,0.922937886,0.614951603,0.169673593,0.067519302,3.749315809,3.456381668,3.096993741,2.838982085,2.705612122,2.356081623,1.866169565,1.737742468,1.66437737,1.340097469,0.931889276,0.631337262,0.501173825,0.106465709,0.433539355,0.595681058,3.568361912,3.296195697,2.922472865,2.634654398,2.421479144,1.98003123,1.372769736,1.203799381,1.864903225,1.526265241,1.141956104,0.878556837,0.805262811,0.496493089,0.063443241,0.060043016,0,0,0,0,0,4,2,2,0,0,0,0,0,0,0,0,0,0,0,0.696923425,0,0,0,0.696923425,0,0,0,0.691044062,0.902368927,0.666666667,0.691044062,0.902368927,0.666666667,6.568914101,3.66390246,3.142969116,1.570696873,0.971404521,0.333333333,0,0,0.821114263,0.523414637,0.39287114,0.261782812,0.194280904,0.166666667,0,0,6.568914101,3.66390246,3.142969116,1.570696873,0.971404521,0.333333333,0,0,0.821114263,0.523414637,0.39287114,0.261782812,0.194280904,0.166666667,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.144212963,0,2.716944444,0,0,0,1.805509259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.256990741,0,1.331527778,0,0,0,0.879583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.319444444,0,1.385416667,0,0,0,0.925925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.708333333,0.2,2.319444444,0.2,0.879583333,6.027208657,0.45375,0.319444444,2.288425926,0.45375,0.319444444,2.288425926,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0.25,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.9638,1.12047,8.9638,0,0,3.66389,0.45799,3.66389,0,0,0.25011,0.03126,0.25011,0.03126,0,7,0,0,0,0,0,0,1,0.89049164,1.352030102,2.478345968,2.929705102,2.825251737,2.694448682,23.15278265,35.15278265,64.43699516,76.17233265,73.45654517,70.05566573,0.189448582,0.287639068,0.527258324,0.623283199,0.601061157,0.573233324,3.809948078,3.348409616,2.22209375,1.770734616,1.875187981,2.005991036,0.191756937,0.291143835,0.533682756,0.630877655,0.608384847,0.580217942,6.648700044,12.18716158,16.3853503,15.14913749,15.8894187,12.94782648,31.72521615,23.41346491,20.30332596,21.73364995,21.21916191,16.67704054,8,3.9375,5,8,0,6,2.34,1.2358,1.639769145,3.486742171,4.085857991,0,0.5,3.039342743,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,3.31,8,6,5,2,0,0,0,0,0,36,2.079441542,2.197224577,1.945910149,1.791759469,1.098612289,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,2.5,0.666666667,0.5,0.16,0,0,0,0,0,0,0.357142857,0.083333333,0.083333333,0.032,0,0,0,0,0,0,0.555809524,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,0,146.9243357,4,3.433987204,4.077537444,4.828313737,5.493061443,6.248042875,6.918695219,7.673688129,8.34640487,9.100860271,71.12059119,2.708050201,0,3.850147602,0,5.141663557,0,6.49677499,0,7.884199934,8.176110342,114.1408506,4.390032714,14.49663423,1.812079278,0,0,0,71,6,4.77,30,1.2278,2.116942009,2.891979167,3.494712307,4.279870039,5.192078801,6.36847156,0,0,0,71.2221278,74.49919381,67.46777057,62.0205237,59.75691026,23.19912597,6.470774688,0,0,0,272.5498825,326.3003669,355.4863844,338.636966,404.6633866,296.576416,197.9559424,0,0,0,8.919363223,15.03016952,20.35936831,24.25446154,29.82692731,35.52786968,42.78634691,0,0,0,2.081648384,2.695254639,3.154509661,3.149615746,3.906191255,3.38949137,2.83150464,0,0,0,176.77647,330.1832551,463.0874653,586.7295869,707.5373598,908.7245649,1177.642808,0,0,0,2.48996,3.463478713,4.617416705,5.011250482,6.693614991,6.808128105,6.36847156,0,0,0,0.4321989,0.568411947,0.673422292,0.679336469,0.845637409,0.754037253,0.652131488,0,0,0,388.7507542,172.1208008,9.346623055,138.6256556,-61.37700981,-8.276979589,250.1250986,233.4978106,17.62360264,0.737140962,0.326371824,0.017722869,0.262859038,-0.116381789,-0.015694634,205.0179771,90.77244997,4.929188511,73.10790058,-32.36878708,-4.36508378,0.066929334,0.146665375,0.67367935,8.357720016,527.3764099,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,748.7931004,27.36408413,9.080726832,1.797339331,1.797339331,542.0062692,526.9427783,126.043483,1.028586578,4.300153061,4.180642789,4.263641753,4.466158665,7.63628977,0.709811572,5.020209962,6.63971282,3.013538183,25.69200968,8.457113311,14.04206848,7.849651337,14.86089924,6.849924351,4.272270483,4.174760574,0.410757475,1.952300582,1.267677768,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327158,0.183344552,8.704174269,1.547136754,1.532895559,0.569539559,0.6875567,2.11321181,0.110147845,0.079120347,0.010595825,0.130750194,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639353638,0.637694172,11.00384553,2.023561827,3.137561585,1.599667013,2.507837792,2.743035391,0.519018754,0.433477155,0.037402441,0.443883397,0.093040376,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639670728,2.796637467,24.23885937,7.703654094,12.94063916,7.2426863,13.61369616,6.440712464,3.86156076,3.753636359,0.366846941,1.820026094,1.129478069,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.639387327,0.986217072,12.92927386,2.627951026,4.52080996,2.442182938,4.075940309,3.275463816,0.930550863,0.819744052,0.072097839,0.676264037,0.202096129,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.63988965,3.866171904,31.54149155,11.62201824,18.50124443,10.28009305,19.90964868,8.50043274,5.969965045,5.927461372,0.595380337,2.465625438,1.848788887,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.121827968,5.525099581,1.376101611,16.0368581,4.000028482,7.893983157,3.689071735,6.799999798,4.388511245,1.723789654,1.650701333,0.148861965,1.190429513,0.434373822,1.23E-06,2.74E-33,1.17E-81,9.71E-152,1.55E-243,0,0,0,0,0,0,0,0,0,0,0,4.954600449,1.111401696,0.963886788,0.704790715,0.158096622,0.525495677,0.460110478,0.483944379,7.029888933,11.35349067,23.69107169,0.557186073,1.469550534,4.130389097,0.618961639,0.486065225,0.788932365,0.118225876,0.365247722,0.143333672,0.124326241,5.235415961,4.865046639,11.34311382,0.683398548,0.632907635,4.469912605,0.821990887,0.683121971,0.74809934,0.13757111,0.427706881,0.252405025,0.244644254,5.975025464,7.289242974,15.77421392,0.62214901,0.924756161,4.9353815,1.099934271,0.95276527,0.70625705,0.157401476,0.521424681,0.450721232,0.472971255,6.98808104,11.17883451,23.33909257,0.559385575,1.445117169,4.615952375,0.909240888,0.76778312,0.733508612,0.144485031,0.45610249,0.308588145,0.308478525,6.292976383,8.439162759,17.9545346,0.600262919,1.073169161,5.014404814,1.147081284,0.998488274,0.700338375,0.160207457,0.538265858,0.489932733,0.518863821,7.159974371,11.90410153,24.80731047,0.550507562,1.547062411,4.950534442,1.102066604,0.955725475,0.706378966,0.157251036,0.524641684,0.452333393,0.475496612,7.008326521,11.24044369,23.46303511,0.559568449,1.452471688 +UMLYSI0177,L,"2,5-dimethylhexane",CC(C)CCC(C)C,linear alkanes,C8H18,592-13-2,11592,PubChem,,56.1,0,1.657,2.745649,37.4392,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1483.122152,1201.711229,890.151364,796.171492,302.76288,36.578304,0,3947.642614,5029.877407,6806.459662,7099.250819,5648.125411,4306.94708,3126.683726,1119.0148,0,181.25648,180.900988,339.441056,442.541876,495.799312,312.005776,251.444736,241.864704,0,30.31423229,39.56609758,57.48793273,65.15144188,56.10576844,40.08763158,32.0604183,16.00606457,0,4342.872585,3643.766351,7584.388218,10150.98163,12382.08547,7580.079488,5893.952969,6657.035473,0,42.05555556,49.58333333,76.33333333,100.1111111,93.33333333,65,60,36,0,45.09238923,49.11105724,30.89837817,19.07478141,12.36321339,17.69269982,8.41008,1.016064,0,151.8324082,201.1950963,141.801243,112.6865209,78.44618626,95.7099351,86.85232572,31.08374443,0,6.971403077,7.23603952,7.071688667,7.024474222,6.886101556,6.933461689,6.984576,6.718464,0,1.165932011,1.582643903,1.197665265,1.034149871,0.779246784,0.890836257,0.890567175,0.444612905,0,167.033561,145.7506541,158.0080879,161.1266926,171.9734093,168.4462109,163.7209158,184.917652,0,1.617521368,1.983333333,1.590277778,1.589065256,1.296296296,1.444444444,1.666666667,1,0,0.035978133,-0.006702682,-5.56E-04,-0.023706017,0.009164506,0.011105438,-0.026597569,0.01930326,0,670.5194345,-58.02572029,-45.8474827,-460.6239277,191.9863338,106.0223037,-481.3985683,412.6273443,0,1246.859521,-107.9013047,-85.25535183,-856.549863,357.0067858,197.1530011,-895.1811943,767.2981665,0,0.131350154,-0.01136684,-0.008981207,-0.090233065,0.037608805,0.020769041,-0.094302675,0.080830864,0,5.574042193,-0.482369036,-0.38113109,-3.829176421,1.59598644,0.881365646,-4.001876446,3.430179811,0,30.27828566,-2.620236259,-2.070310131,-20.80014709,8.669423672,4.787592177,-21.73825637,18.63279117,0,3.487179487,-1.835963182,1.382642998,-2.524490467,0.394477318,2.650394477,-3.520710059,1.710059172,0,0.001383774,-2.68E-04,-1.16E-05,-3.76E-04,1.27E-04,2.47E-04,-7.39E-04,5.36E-04,0,25.78920902,-2.321028812,-0.95515589,-7.311490916,2.666476858,2.356051194,-13.37218245,11.46187067,0,47.95613541,-4.316052187,-1.776153163,-13.59602957,4.958427581,4.381177803,-24.86614429,21.31383796,0,0.005051929,-4.55E-04,-1.87E-04,-0.001432271,5.22E-04,4.62E-04,-0.002619519,0.002245302,0,0.214386238,-0.019294761,-0.007940231,-0.060780578,0.022166478,0.019585903,-0.111163235,0.095282773,0,1.164549448,-0.10480945,-0.043131461,-0.330161065,0.120408662,0.106390937,-0.603840455,0.517577533,0,0.134122288,-0.073438527,0.028805062,-0.040071277,0.005478852,0.058897655,-0.097797502,0.047501644,0,-0.19375071,-0.008370881,-0.271927269,0.09198379,0.178343752,-0.533917517,0.387492134,0,-0.09,-0.037037037,-0.2835097,0.103395062,0.091358025,-0.518518519,0.444444444,0,-0.09,-0.037037037,-0.2835097,0.103395062,0.091358025,-0.518518519,0.444444444,0,-0.09,-0.037037037,-0.2835097,0.103395062,0.091358025,-0.518518519,0.444444444,0,-0.09,-0.037037037,-0.2835097,0.103395062,0.091358025,-0.518518519,0.444444444,0,-0.09,-0.037037037,-0.2835097,0.103395062,0.091358025,-0.518518519,0.444444444,0,-0.54754902,0.214767157,-0.298766729,0.040849673,0.439133987,-0.729166667,0.354166667,0,1.727684548,1.084849934,1.386610512,0.680708671,0.710031646,1.706004968,0,0,1.625,1.222511574,1.36133157,0.689621914,0.802469136,1.50462963,0,0,1.625,1.222511574,1.36133157,0.689621914,0.802469136,1.50462963,0,0,1.625,1.222511574,1.36133157,0.689621914,0.802469136,1.50462963,0,0,1.625,1.222511574,1.36133157,0.689621914,0.802469136,1.50462963,0,0,1.625,1.222511574,1.36133157,0.689621914,0.802469136,1.50462963,0,0,2.15870098,0.62231924,1.419282991,0.64721201,0.424836601,2.389705882,0,0,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,38.22296899,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,3.55E-15,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,49.16608976,24.45457266,38.99239413,48.97338142,6.121672678,24.45457266,-0.256944444,6.66E-16,8.33E-17,-27.95603288,28.13912446,3.517390557,2.66972875,0,11.89,12.11011416,-0.164718465,0.055995246,5.749051238,7.649059493,7,25,25,25,7,0,0,0,0,0,19.677726,3.53563143,3.244084744,2.571524722,2.333552793,2.333552793,1.729010799,1.049825983,0.930272334,1.934873803,1.742716603,1.319258135,1.249629723,1.249629723,0.796661299,0.397466728,0.365835021,3.562461002,3.277769689,2.625963664,2.405454588,2.405454588,1.813600416,1.165294468,1.05900151,1.876280062,1.670670664,1.21933619,1.134540686,1.134540686,0.664936838,0.242013658,0.205369926,3.680598535,3.426435801,2.860188687,2.704236987,2.704236987,2.165212408,1.627594413,1.560891682,1.704211162,1.456118324,0.905588564,0.76031856,0.76031856,0.230923741,0.289015115,0.350415709,3.58223573,3.302632688,2.665861445,2.457539916,2.457539916,1.87495387,1.248008524,1.150283289,1.838992329,1.624518621,1.153946055,1.058262671,1.058262671,0.577166797,0.137099727,0.096588544,3.738217315,3.498795116,2.970010819,2.838982085,2.838982085,2.322834187,1.826186331,1.771383615,1.650641827,1.38874006,0.801845208,0.631337262,0.631337262,0.079600261,0.482408586,0.556860324,3.558832738,3.345592379,2.725831247,2.634654398,2.634654398,1.930624674,1.322066015,1.245627897,1.850241512,1.567853699,1.061465701,0.878556837,0.878556837,0.482190769,0.024771883,0.028680321,0,0,0,0,0,4,2,2,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.816496581,0,0,0,0.577350269,0.333333333,0.666666667,0.577350269,0.333333333,0.666666667,6.568914101,3.625897658,3.365043969,1.321367205,0.666666667,0.666666667,0,0,0.821114263,0.51798538,0.420630496,0.264273441,0.166666667,0.166666667,0,0,6.568914101,3.625897658,3.365043969,1.321367205,0.666666667,0.666666667,0,0,0.821114263,0.51798538,0.420630496,0.264273441,0.166666667,0.166666667,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,56,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.120555556,0,2.773148148,0,0,0,1.772962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.280138889,0,1.386574074,0,0,0,0.886481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.280138889,0,1.386574074,0,0,0,0.886481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.708333333,0.2,2.280138889,0.2,0.886481481,6.030246667,0.446851852,0.280138889,2.241111111,0.446851852,0.280138889,2.241111111,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0.25,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.87961,1.10995,8.87961,0,0,3.62588,0.45324,3.62588,0,0,0.28812,0.03601,0.28812,0.03601,0,7,0,0,0,0,0,0,1,0.89049164,1.352030102,2.199687795,2.199687795,2.199687795,1.915038586,23.15278265,35.15278265,57.19188266,57.19188266,57.19188266,49.79100323,0.189448582,0.287639068,0.467974897,0.467974897,0.467974897,0.407416901,3.809948078,3.348409616,2.500751923,2.500751923,2.500751923,2.785401132,0.191756937,0.291143835,0.473676984,0.473676984,0.473676984,0.412381113,6.648700044,12.18716158,13.04145222,13.04145222,13.04145222,9.625661715,31.72521615,23.41346491,25.2115705,25.2115705,25.2115705,21.79577999,8,3.9375,7.2,8,0,6,2.34,1.2358,1.62865057,3.265986324,4,0,1,2.828427125,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,3.31,8,5,4,4,0,0,0,0,0,36,2.079441542,2.197224577,1.791759469,1.609437912,1.609437912,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,2.5,0.666666667,0.25,0.32,0,0,0,0,0,0,0.357142857,0.083333333,0.05,0.08,0,0,0,0,0,0,0.57047619,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,0,146.9243357,4,3.433987204,4.043051268,4.779123493,5.424950017,6.150602768,6.814542897,7.529943371,8.204398418,8.912338567,70.292938,2.708050201,0,3.850147602,0,5.105945474,0,6.408528791,0,7.738488122,8.049746291,114.1408506,4.390032714,14.50192071,1.812740089,0,0,0,74,5,4.77,30,1.2278,2.116942009,2.892507444,3.479983731,4.405708497,5.53224352,6.068060179,0,0,0,71.2221278,74.49919381,61.78741513,53.03174888,93.51446163,48.31318469,6.165537498,0,0,0,272.5498825,326.3003669,344.5032079,304.1038625,473.900847,493.9632619,188.6180318,0,0,0,8.919363223,15.03016952,20.35906012,24.04422866,30.69653004,38.70467445,40.76804386,0,0,0,2.081648384,2.695254639,3.103532047,2.909361266,4.267235108,5.034587882,2.697937863,0,0,0,176.77647,330.1832551,463.1518955,592.510468,730.8960688,900.6223286,1122.091441,0,0,0,2.484883333,3.501190982,4.681629088,4.65245786,6.729748087,9.381488749,6.068060179,0,0,0,0.4321989,0.568411947,0.663965988,0.630835353,0.915226043,1.09615788,0.621369362,0,0,0,405.165314,179.5694069,9.791475302,130.1345197,-57.67566401,-7.449843748,275.0307943,237.2450709,17.24131905,0.756894153,0.335455749,0.018291572,0.243105847,-0.107744595,-0.013917142,216.8849253,96.12347365,5.241375102,69.66098679,-30.87377336,-3.98790012,0.06630743,0.141139486,1.271764293,8.073897967,535.2998338,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,730.8637546,27.03449194,9.007663245,1.558857073,1.537100381,637.051562,548.5130061,127.6554937,1.1614156,4.990396759,4.296822567,4.418750872,4.466158665,7.636292013,0.709812074,5.020209962,6.639720803,3.093919498,23.182,7.17526138,6.313287287,6.074120505,12.39252649,4.615831286,3.987412726,5.844183274,1.906468719,3.348678494,1.267677843,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327215,0.183910687,8.568833001,1.046432751,0.179714311,0.476339346,0.683261464,2.013583349,0.156246655,0.230064712,0.021141123,0.140584998,0.008928359,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639354224,0.643593713,10.5173259,1.472605616,0.810765614,1.262032024,2.360303206,2.308645388,0.621250831,0.913600333,0.147207141,0.546369635,0.093040381,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639677841,2.868255774,21.92146795,6.508253668,5.718125738,5.605157,11.42343353,4.372994842,3.640720842,5.336900076,1.699506224,3.064173674,1.129478136,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.6393886,0.999031657,12.16202988,2.010075477,1.428332995,1.907366449,3.7232647,2.58130284,1.034590975,1.520129861,0.310581542,0.898877842,0.202096141,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.639901293,3.983400489,28.26466251,9.97621362,8.766319821,7.953852919,16.267064,5.609785892,5.398395357,7.908169787,2.776699124,4.502111389,1.848788996,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.121827968,5.498019155,1.382839025,15.31232514,3.172793453,2.750688293,2.846693618,6.100022966,3.023933388,1.825732438,2.843086419,0.661420682,1.668902849,0.434373847,1.23E-06,2.74E-33,1.17E-81,9.71E-152,1.55E-243,0,0,0,0,0,0,0,0,0,0,0,5.439334794,1.530513536,0.573990314,0.721030108,0.202882592,0.603920118,0.562536993,0.425972441,7.543838645,12.32560096,24.64789493,0.581545162,1.592429552,4.634076711,0.946940837,0.171278711,0.805604667,0.164619622,0.438733931,0.215031253,0.038893029,5.752296258,5.344105968,11.84800686,0.708407,0.692658213,4.965754364,1.187467515,0.337476012,0.765057078,0.182949127,0.503550105,0.338350765,0.149478172,6.490697891,7.973236775,16.45392001,0.647585617,0.991379042,5.420554319,1.516917512,0.564627199,0.722538359,0.202199079,0.599764305,0.552569964,0.412437518,7.502099029,12.13961905,24.28438429,0.583807538,1.564771787,5.108436299,1.290866924,0.408826337,0.750343579,0.189606692,0.532820412,0.399941494,0.218388932,6.80812956,9.210515145,18.7145729,0.625515368,1.151150839,5.497775737,1.572817586,0.603118314,0.716442837,0.204961779,0.616944969,0.594120884,0.469418614,7.673711638,12.91140269,25.8002774,0.574664256,1.680484467,5.437349847,1.522605483,0.564985957,0.722577046,0.202341178,0.60350173,0.556867583,0.412565596,7.524941287,12.21121571,24.4136411,0.583865569,1.572934909 +UMLYSI0178,L,1-octene,CCCCCCC=C,alkenes,C8H16,111-66-0,8125,PubChem,,56,0,-0.1376,0.01893376,32.1441,24.748688,0,0,24,8,16,0,8,0,0,0,0,0,0,0,0,0,1170.369992,1203.562255,1201.620678,1038.308381,843.58378,646.827051,450.070322,253.313593,67.647888,3885.475125,4800.404174,5918.743752,5679.440657,4734.809801,3728.011456,2721.213111,1714.414766,791.2692929,167.819552,166.665724,297.885336,383.205812,333.75784,270.87294,207.98804,145.10314,82.617408,29.42500648,37.33900896,50.80061251,52.22949897,44.09719592,35.07566706,26.0541382,17.03260934,8.680011884,3973.037281,3337.521256,6559.333793,9116.771878,8007.652027,6528.696872,5049.741717,3570.786562,2060.036303,44.25,50,71.25,82,71.75,59.5,47.5,35,20,48.76541633,52.3287937,28.61001614,18.8783342,17.57466208,16.585309,15.00234407,12.06255205,5.637324,161.8947969,208.713225,140.9224703,103.2625574,98.64187085,95.59003733,90.70710369,81.63879838,65.93910774,6.992481333,7.246335826,7.092508,6.9673784,6.953288333,6.94546,6.932934667,6.909673333,6.884784,1.226041937,1.623435172,1.209538393,0.949627254,0.918691582,0.899376078,0.868471273,0.811076635,0.723334324,165.54322,145.1096198,156.1746141,165.7594887,166.8260839,167.4024839,168.3247239,170.0374553,171.6696919,1.84375,2.173913043,1.696428571,1.490909091,1.494791667,1.525641026,1.583333333,1.666666667,1.666666667,0.053503502,-0.007612405,-0.024941843,0.001659595,0.00114453,1.87E-04,0.001770811,-0.001763451,-0.004526568,645.6853813,-53.80711511,-282.4873543,-26.90355756,-2.74E-13,-2.74E-13,-2.45E-13,-1.88E-13,-40.35533633,1200.679538,-100.0566282,-525.297298,-50.0283141,1.42E-13,1.42E-13,1.42E-13,8.53E-14,-75.04247115,0.126485333,-0.010540444,-0.055337333,-0.005270222,-7.38E-16,-7.38E-16,-7.24E-16,-7.17E-16,-0.007905333,5.367596186,-0.447299682,-2.348323331,-0.223649841,-3.14E-15,-2.69E-15,-2.91E-15,-2.91E-15,-0.335474762,29.15686767,-2.429738973,-12.75612961,-1.214869486,2.73E-14,2.73E-14,2.73E-14,2.73E-14,-1.822304229,5.489583333,-0.542100694,-1.346354167,-0.101128472,-0.052083333,-0.149739583,0.002604167,0.290364583,-1.286458333,0.002229313,-3.31E-04,-5.94E-04,3.02E-05,2.38E-05,4.79E-06,5.90E-05,-8.40E-05,-3.77E-04,26.90355756,-2.339439787,-6.725889389,-0.489155592,-5.70E-15,-7.01E-15,-8.17E-15,-8.97E-15,-3.362944694,50.0283141,-4.350288182,-12.50707852,-0.909605711,2.96E-15,3.64E-15,4.74E-15,4.06E-15,-6.253539262,0.005270222,-4.58E-04,-0.001317556,-9.58E-05,-1.54E-17,-1.89E-17,-2.41E-17,-3.42E-17,-6.59E-04,0.223649841,-0.019447812,-0.05591246,-0.004066361,-6.53E-17,-6.90E-17,-9.71E-17,-1.39E-16,-0.02795623,1.214869486,-0.105640825,-0.303717372,-0.022088536,5.69E-16,7.00E-16,9.10E-16,1.30E-15,-0.151858686,0.228732639,-0.023569595,-0.032056052,-0.001838699,-0.001085069,-0.003839476,8.68E-05,0.013826885,-0.107204861,-0.148464651,-0.266384094,0.013535318,0.010695838,0.002147222,0.026477682,-0.037668053,-0.169206412,-0.086956522,-0.25,-0.018181818,-2.12E-16,-2.61E-16,-3.04E-16,-3.33E-16,-0.125,-0.086956522,-0.25,-0.018181818,5.92E-17,7.28E-17,9.47E-17,8.12E-17,-0.125,-0.086956522,-0.25,-0.018181818,-2.92E-15,-3.59E-15,-4.58E-15,-6.48E-15,-0.125,-0.086956522,-0.25,-0.018181818,-2.92E-16,-3.09E-16,-4.34E-16,-6.21E-16,-0.125,-0.086956522,-0.25,-0.018181818,4.68E-16,5.76E-16,7.49E-16,1.07E-15,-0.125,-0.103044303,-0.140146381,-0.008038641,-0.004743833,-0.016785871,3.80E-04,0.060449986,-0.468690702,1.46255088,1.247155141,0.792871074,0.823120668,0.882929417,0.948883431,1.201363069,1.463148389,1.5,1.386160714,0.940909091,0.8984375,0.884615385,0.8625,0.821428571,0.8984375,1.5,1.386160714,0.940909091,0.8984375,0.884615385,0.8625,0.821428571,0.8984375,1.5,1.386160714,0.940909091,0.8984375,0.884615385,0.8625,0.821428571,0.8984375,1.5,1.386160714,0.940909091,0.8984375,0.884615385,0.8625,0.821428571,0.8984375,1.5,1.386160714,0.940909091,0.8984375,0.884615385,0.8625,0.821428571,0.8984375,1.457305503,0.885334779,0.733206831,0.796489564,0.926580061,1.099810247,1.346706425,2.44402277,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,41.63994127,20.81997064,33.74158593,41.63994127,5.204992659,20.81997064,1.07E-14,0.05477388,0.006846735,-2.323633468,32.52995445,4.066244307,2.785729072,55.64149358,27.59158012,45.54212847,55.35072685,6.918840856,27.59158012,-0.458333333,0.096068521,0.012008565,-1.874154867,32.16958652,4.021198315,2.77681719,0,11.79,12.21005852,-0.306948036,0.113285108,5.104114357,7.254850364,7,23,22,22,6,1,1,0,0,1,17.491312,3.499160109,3.261892624,2.866142824,2.367020356,1.854778102,1.428728893,1.154729458,0.911583284,1.90685943,1.724640433,1.462982189,1.163203169,0.876196978,0.658149334,0.530820245,0.349799307,3.526506373,3.292994309,2.907712769,2.425088861,1.934077794,1.531020425,1.275852041,1.039703963,1.847031613,1.657108886,1.379536666,1.05738938,0.748287346,0.512853664,0.374912327,0.188525437,3.647095365,3.43022517,3.089398352,2.675189698,2.267171913,1.946675374,1.753140211,1.541491986,1.67121938,1.457667125,1.12525037,0.723635115,0.329982017,0.022663773,0.161798045,0.36957908,3.546673641,3.315940082,2.938314837,2.467677392,1.991806547,1.604668603,1.362086193,1.130728725,1.808942169,1.614010834,1.32557352,0.988009577,0.663274327,0.415218402,0.269432974,0.079216254,3.705967436,3.497172465,3.176520053,2.792327443,2.4180915,2.128111279,1.955308783,1.75262374,1.616497054,1.395406539,1.043649345,0.612900335,0.185586541,0.153105649,0.359488595,0.576481456,3.62577018,3.361446783,3.001536348,2.52184971,2.041216797,1.662932024,1.430961668,1.275475833,1.85785137,1.572028124,1.210277112,0.869281739,0.571048337,0.327680367,0.17591631,0.076687118,0,0,1,1,0,1,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.819990956,3.523603362,2.138010441,1.261801681,0.71545183,0.380900841,0.174230856,0.072168784,0.72749887,0.503371909,0.356335073,0.252360336,0.178862957,0.126966947,0.087115428,0.072168784,12.33462243,23.10269483,21.80392157,22.08,14.38843593,184.2260407,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,3.06899,38.686,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,6,1,0,2,0,0,0,0,0,0,0,0,1,1,5,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.654015023,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380644487,0.322050737,0,0,1.397304776,0.290277778,0,0.702695224,0,0,0,0,0,0,0,0,2.230069444,3.658320578,6.615915533,0,1.995694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.995694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380644487,0.322050737,0,0,0.209008291,0.290277778,0,0.322050737,0,0,0,0,0,0,0,0,2.230069444,3.658320578,1.194444444,0,1.995694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.658320578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380644487,0.322050737,0,0,0.290277778,0.290277778,0,0.380644487,0,0,0,0,0,0,0,0,2.230069444,3.658320578,1.382777778,0,1.995694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.5,1.8125,0.380644487,3.658320578,0.209008291,1.194444444,5.874401675,0.305555556,0.658320578,1.776780045,0.305555556,0.658320578,1.776780045,4,0.5,0,0,0.43333,0.7,0.42308,0.42308,0.7,0.01026,0.01026,0,0,0.71429,0,0,0.25,0,0,4.5,0.5625,3.5,0.4375,1,0.125,-2.5,-0.3125,0,0,6.67662,0.83458,7.95768,1.28106,0.16013,3.34933,0.41867,3.91421,0.56488,0.07061,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,0.75,0.918295834,2.049104007,3.136842188,3.522055209,3.351227481,3.234697003,22.03910002,49.17849618,75.28421252,84.52932501,80.42945954,77.63272806,0.200284263,0.446918379,0.684158745,0.768175358,0.730917097,0.7055013,3.666666667,2.535858493,1.448120313,1.062907292,1.23373502,1.350265498,0.200284263,0.446918379,0.684158745,0.768175358,0.730917097,0.7055013,6.73287657,15.20065,19.04494351,18.17141227,16.51296263,17.88180548,31.59900002,22.2783271,17.20000052,17.91052656,20.46064886,18.69150037,8,7,7.2,8,2,8,2.34,1.1928,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,3.659,6,5,4,3,2,1,0,0,0,36,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,3.784189634,1.194444444,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.714285714,6,0.857142857,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,144.287877,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,112.1252005,4.671883355,14.83110795,1.853888494,0,0,0,84,5,4.526,26,1.227,2.135021502,2.87271673,3.609229398,4.944776656,5.968097746,7.284032002,8.421556588,9.604031182,0,74.89491166,68.33896335,65.97266073,82.12742441,97.47332984,106.1109762,99.29809039,50.71865096,9.758310339,0,281.0620545,321.5844338,326.6934522,419.4600868,520.3934691,599.0538661,635.0148623,579.7744956,298.5292508,0,8.925452504,15.18954941,20.06936237,25.28027084,34.46625388,41.54899984,50.45278224,58.0973361,64.52433775,0,2.127440242,2.708766954,2.900800532,3.733551311,4.749323681,5.56689376,6.177667548,6.287232216,4.270076202,0,175.9203541,330.0647106,472.4996586,588.2662477,818.7466217,991.5524744,1229.29127,1436.427438,1775.954896,0,2.737826087,3.720872609,4.419903102,5.80043007,7.863384284,9.954476016,12.63467659,14.48293826,9.604031182,0,0.440993152,0.572718043,0.620474507,0.798342017,1.02041993,1.1994567,1.341310964,1.385444896,0.983452793,0,415.7175311,210.2061087,13.19232656,173.7223507,-87.84209613,-12.06912162,241.9951804,298.0482048,25.26144818,0.70527554,0.356620099,0.022381123,0.29472446,-0.149026387,-0.020475577,245.0404923,123.9038639,7.776083408,102.3988818,-51.77763476,-7.114021619,0.111994905,0.202968794,2.311560402,5.272436358,589.4398817,0,1,0,455.2209468,21.33590745,7.692616449,610.8504609,24.71538915,8.484865622,686.8263951,26.20737291,8.8229874,2.777473789,2.777473789,964.4923415,940.4156404,44.09371502,1.025602191,21.873692,21.32765724,4.377916779,5.645455692,10.18967585,0.804934163,4.707395531,5.811914061,3.423507979,22.8915296,10.38655183,1.027386561,5.621029591,8.400079893,12.598261,0.615455517,2.064246697,6.957449928,4.169728739,4.577268803,1.829291087,3.154821331,1.076405436,2.577035344,0.054773684,1.31E-04,6.08E-29,5.43E-75,9.35E-143,3.11E-232,0,0,0,0,0,0,0.395069795,5.811642349,0.228498339,5.947207138,0.07636546,0.084819839,0.658700664,0.238179693,3.885512489,0.022869791,0.063202073,0.436718209,0.140021805,1.546726892,0.085352095,0.144811926,0.065410342,0.081404848,3.86E-04,9.26E-07,4.28E-31,3.82E-77,6.59E-145,2.19E-234,0,0,0,0,0,0,1.275307413,5.811661064,0.776374028,7.20250477,0.770566712,0.267534425,1.662630853,1.076448253,5.097705605,0.092791178,0.248709931,1.489672522,0.59032617,2.078805078,0.320444561,0.492697652,0.227498612,0.351653056,0.004020079,9.65E-06,4.46E-30,3.99E-76,6.86E-144,2.28E-233,0,0,0,0,0,0,4.443398039,5.811884427,3.191016053,21.07472045,9.256442423,0.966257644,5.314060089,7.607583937,11.86454712,0.561122292,1.862872558,6.459884848,3.791345114,4.36113328,1.67976411,2.876264282,0.99884917,2.339646622,0.048802366,1.17E-04,5.42E-29,4.84E-75,8.33E-143,2.77E-232,0,0,0,0,0,0,1.879562943,5.811684821,1.183440529,8.718462259,1.665869565,0.395837455,2.354465863,1.897669234,6.097973861,0.155944255,0.442253139,2.295056214,1.009973166,2.46974966,0.517720733,0.810646007,0.351914,0.608182478,0.008732148,2.10E-05,9.70E-30,8.66E-76,1.49E-143,4.95E-233,0,0,0,0,0,0,5.684859415,5.812038544,4.326213258,30.50340832,15.13733263,1.257609005,6.761209324,11.6668225,15.54232799,0.837127715,2.899397296,8.911401842,5.720234662,5.412274358,2.43147781,4.293247865,1.381346531,3.552044972,0.079882269,1.92E-04,8.87E-29,7.92E-75,1.36E-142,4.53E-232,0,0,0,0,0,0,2.660894079,4.505194832,1.762255734,10.3748601,3.1764498,0.462278281,3.672143472,2.911382206,7.356804651,0.224038733,0.708453377,3.493936244,1.491211858,3.931910824,0.843766728,1.644887007,0.55655195,1.051441862,0.016673084,4.00E-05,1.85E-29,1.65E-75,2.85E-143,9.45E-233,0,0,0,0,0,0,9.080188488,0.804072952,0.413783256,0.881739083,0.078080158,0.520606947,0.59589624,0.499989195,10.2980447,11.39107585,24.71020753,0.822608625,1.616492381,8.355894871,0.303918573,0.089205145,0.955066535,0.034737447,0.441044366,0.085171143,0.023237778,8.749018589,3.312011558,12.28756765,0.932599803,0.549453287,8.643324566,0.502799878,0.218117035,0.923013848,0.053693604,0.471807125,0.233279132,0.138929338,9.364241479,6.340788086,16.65293622,0.884520773,0.844015594,9.062233572,0.791713986,0.405747617,0.883284875,0.077167398,0.518552571,0.57777528,0.480758253,10.25969517,11.1729128,24.34372421,0.824927313,1.577086104,8.771545273,0.591347999,0.275578371,0.910055619,0.061352881,0.485873955,0.32265687,0.22177115,9.638471643,7.767246623,18.83515313,0.865083428,1.030301975,9.13640801,0.842758102,0.438940698,0.876973924,0.080893594,0.527066575,0.654396093,0.562634674,10.41810681,12.08004402,25.87789846,0.815460886,1.744097342,9.139061334,0.790939852,0.405754626,0.884218,0.076524626,0.527381383,0.576627893,0.480774863,10.33575581,11.25759173,24.52632369,0.826327,1.584784139 +UMLYSI0179,L,4-methyl-1-hexene,CCC(C)CC=C,alkenes,C7H14,3769-23-1,19589,PubChem,,55.8,0,0.6666,0.44435556,32.3582,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1128.97815,1029.163805,711.426747,324.009673,73.744272,6.096384,0,3399.790734,4147.41404,5230.324054,5399.686957,4426.029515,2598.935292,977.7717595,186.5024666,0,146.842108,144.889944,255.179544,322.739636,333.334956,247.87594,122.928192,40.310784,0,25.74688067,32.32302034,44.11934665,48.22798282,42.42184023,27.04645994,11.34768931,2.667677429,0,3476.407621,2904.481805,5640.598507,7452.51301,8033.980219,6185.575821,3169.542215,1109.505912,0,41.27777778,46,62.41666667,76.33333333,78.16666667,58,26,6,0,48.76541633,51.7541979,31.36050417,22.3731262,14.82139056,9.000268694,4.096904,1.016064,0,161.8947969,207.370702,145.2867793,117.3844991,92.20894824,72.192647,54.3206533,31.08374443,0,6.992481333,7.2444972,7.088320667,7.016079043,6.94447825,6.885442778,6.829344,6.718464,0,1.226041937,1.616151017,1.225537407,1.048434409,0.883788338,0.751290554,0.630427184,0.444612905,0,165.54322,145.2240902,156.6832919,162.0111524,167.3745879,171.8215506,176.0856786,184.917652,0,1.965608466,2.3,1.733796296,1.65942029,1.628472222,1.611111111,1.444444444,1,0,0.048701043,-0.009199337,-0.017610822,0.001816656,-7.77E-04,-0.008887812,0.002974695,0.007333598,0,564.9747087,-53.80711511,-121.066009,-147.9695666,-80.71067267,-4.44E-13,40.35533633,80.71067267,0,1050.594596,-100.0566282,-225.1274134,-275.1557275,-150.0849423,1.42E-13,75.04247115,150.0849423,0,0.110674667,-0.010540444,-0.023716,-0.028986222,-0.015810667,-1.01E-15,0.007905333,0.015810667,0,4.696646663,-0.447299682,-1.006424285,-1.230074126,-0.670949523,-4.14E-15,0.335474762,0.670949523,0,25.51225921,-2.429738973,-5.466912688,-6.681782175,-3.644608459,-7.77E-15,1.822304229,3.644608459,0,5.701058201,-1.249685059,-0.896258503,-0.191735954,0.474300831,-0.757369615,-0.775510204,0.545729403,0,0.002319097,-4.60E-04,-4.89E-04,3.95E-05,-1.62E-05,-2.47E-04,1.65E-04,0.001222266,0,26.90355756,-2.690355756,-3.362944694,-3.216729708,-1.681472347,-1.23E-14,2.24196313,13.45177878,0,50.0283141,-5.00283141,-6.253539262,-5.981646251,-3.126769631,3.95E-15,4.169026175,25.01415705,0,0.005270222,-5.27E-04,-6.59E-04,-6.30E-04,-3.29E-04,-2.82E-17,4.39E-04,0.002635111,0,0.223649841,-0.022364984,-0.02795623,-0.026740742,-0.013978115,-1.15E-16,0.018637487,0.111824921,0,1.214869486,-0.121486949,-0.151858686,-0.145256134,-0.075929343,-2.16E-16,0.101239124,0.607434743,0,0.271478962,-0.062484253,-0.02489607,-0.004168173,0.009881267,-0.021038045,-0.0430839,0.0909549,0,-0.198338739,-0.210939615,0.017029261,-0.006984569,-0.106456801,0.071260835,0.527044006,0,-0.1,-0.125,-0.119565217,-0.0625,-4.59E-16,0.083333333,0.5,0,-0.1,-0.125,-0.119565217,-0.0625,7.89E-17,0.083333333,0.5,0,-0.1,-0.125,-0.119565217,-0.0625,-5.34E-15,0.083333333,0.5,0,-0.1,-0.125,-0.119565217,-0.0625,-5.14E-16,0.083333333,0.5,0,-0.1,-0.125,-0.119565217,-0.0625,-1.78E-16,0.083333333,0.5,0,-0.230162413,-0.091705336,-0.015353576,0.036397912,-0.0774942,-0.158700696,0.335034803,0,1.493880561,1.134614324,0.827253336,0.89346431,1.093701366,0.991127461,0.187131557,0,1.5,1.25,1.118012422,0.9375,0.773809524,0.595238095,0,0,1.5,1.25,1.118012422,0.9375,0.773809524,0.595238095,0,0,1.5,1.25,1.118012422,0.9375,0.773809524,0.595238095,0,0,1.5,1.25,1.118012422,0.9375,0.773809524,0.595238095,0,0,1.5,1.25,1.118012422,0.9375,0.773809524,0.595238095,0,0,1.588399072,0.82424594,0.790174518,0.821200696,1.339907193,1.364269142,0,0,27.77145841,13.8857292,21.25186836,27.77145841,3.967351201,13.88573196,-3.55E-15,0.028464335,0.004066334,-2.491372353,25.18451546,3.597787923,2.258360538,27.77145841,13.8857292,21.25186836,27.77145841,3.967351201,13.88573196,-3.55E-15,0.028464335,0.004066334,-2.491372353,25.18451546,3.597787923,2.258360538,27.77145841,13.8857292,21.25186836,27.77145841,3.967351201,13.88573196,-3.55E-15,0.028464335,0.004066334,-2.491372353,25.18451546,3.597787923,2.258360538,27.77145841,13.8857292,21.25186836,27.77145841,3.967351201,13.88573196,-3.55E-15,0.028464335,0.004066334,-2.491372353,25.18451546,3.597787923,2.258360538,27.77145841,13.8857292,21.25186836,27.77145841,3.967351201,13.88573196,-3.55E-15,0.028464335,0.004066334,-2.491372353,25.18451546,3.597787923,2.258360538,27.77145841,13.8857292,21.25186836,27.77145841,3.967351201,13.88573196,-3.55E-15,0.028464335,0.004066334,-2.491372353,25.18451546,3.597787923,2.258360538,41.04362031,20.29165143,31.81843428,40.71482213,5.816403161,20.29165143,-0.46031746,0.090779919,0.01296856,-1.679522019,26.57223735,3.796033907,2.295906873,0,11.79,12.21004853,-0.30682145,0.113406162,5.204858732,8.040754737,6,20,19,19,5,1,1,0,0,1,15.304898,3.528447223,3.108626591,2.687175649,2.147976211,1.726311245,1.058745759,0.858937593,0.083923071,1.908813845,1.60339969,1.415539689,1.045724518,0.825692884,0.40049706,0.329091092,0.083923071,3.553418826,3.141392338,2.740513726,2.216211108,1.815025422,1.172977336,0.991456815,0.270913902,1.851840022,1.5307966,1.318506595,0.930560684,0.691939839,0.245272081,0.165682437,0.270913902,3.664384268,3.287275455,2.969183195,2.504826455,2.180322936,1.632381919,1.507026384,0.943918427,1.686764112,1.316633233,1.013401318,0.55975477,0.248045858,0.284531097,0.402096569,0.943918427,3.571877548,3.165647987,2.779549368,2.265966152,1.879155083,1.25496504,1.08537361,0.399277246,1.81577786,1.484459471,1.254971322,0.854478661,0.602593438,0.14053517,0.054778148,0.399277246,3.719112574,3.358966539,3.07610909,2.637125636,2.342519561,1.830316353,1.722579832,1.207644823,1.636088222,1.250098264,0.912318813,0.433745291,0.091850196,0.477144233,0.613740726,1.207644823,3.58775907,3.268775553,2.829845358,2.335180709,1.902612842,1.338264571,1.149448395,0.525,1.88641186,1.39239751,1.159663159,0.743928278,0.542928815,0.066126651,0.054569777,0.525,0,0,1,1,0,2,2,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.49279928,0.40824829,0.204124145,0.455341801,0.284517797,0.11785113,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.276020882,2.917450212,2.037797401,1.265959019,0.451184464,0.11785113,0,0,0.753717269,0.486241702,0.3396329,0.253191804,0.150394821,0.11785113,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.53479,33.999,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,5,1,0,2,0,0,0,0,0,0,0,0,2,1,2,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.628935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.379652778,0.318472222,0,0,1.201875,0.290277778,0,0.698125,0,0,0,0,0,0,0,0,4.440324074,3.648611111,2.433055556,0,1.980324074,0,0.831018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.980324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.379652778,0.318472222,0,0,0.216944444,0.290277778,0,0.318472222,0,0,0,0,0,0,0,0,2.202546296,3.648611111,1.163194444,0,1.980324074,0,0.831018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.648611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.379652778,0.318472222,0,0,0.290277778,0.290277778,0,0.379652778,0,0,0,0,0,0,0,0,2.237777778,3.648611111,1.269861111,0,1.980324074,0,0.831018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.904761905,0.379652778,3.648611111,0.216944444,0.831018519,5.158884722,0.502314815,0.648611111,2.17787037,0.502314815,0.648611111,2.17787037,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.78895,0.82699,7.07892,1.28997,0.18428,2.74317,0.39188,3.30805,0.56488,0.0807,0.10595,0.01514,0.10595,0.01514,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.258572884,3.368042423,3.558518613,3.653756708,3.140202668,19.28421252,47.43003057,70.72889087,74.72889087,76.72889087,65.94425603,0.209068641,0.51420985,0.766803056,0.810168818,0.831851698,0.714930722,3.474021589,2.133744538,1.024275,0.83379881,0.738560714,1.252114755,0.209068641,0.51420985,0.766803056,0.810168818,0.831851698,0.714930722,6.73287657,17.32307969,19.48810467,18.63319754,19.77605468,13.6134062,27.64912502,16.73002464,14.23974061,14.91476064,13.54772211,12.40486497,7,4.166666667,3.84,7,2,6,2.23,1.0519,0.766309432,4.112265279,1.650963624,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.126,0.12,0.128,0.152,2.932,6,5,3,1,0,0,0,0,0,28,2.079441542,2.079441542,1.945910149,1.791759469,1.098612289,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,0,126.9918924,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,98.10955045,4.671883355,12.66537523,1.809339318,0,0,0,50,5,3.896,24,1.2236,2.129805771,2.902518131,3.544298745,4.373808044,5.65104626,7.169405074,0,0,0,73.7959167,75.34723427,73.27507592,63.54370969,49.14608778,26.28506333,7.284574397,0,0,0,278.2003652,333.6774204,363.485232,360.892372,354.5412125,330.6008761,222.851955,0,0,0,8.897867644,15.15092507,20.41173476,24.70111509,30.24725373,38.70570581,48.16738989,0,0,0,2.110244062,2.757551346,3.178945668,3.348385806,3.555775454,3.751549622,3.187610016,0,0,0,175.6104775,329.820158,466.8904803,586.7549227,741.4022604,986.0860409,1325.749553,0,0,0,2.878066667,3.816783501,4.947816698,6.055845636,7.537408873,8.600969685,7.169405074,0,0,0,0.43759575,0.581389068,0.677404975,0.721075184,0.775475357,0.833535366,0.73414708,0,0,0,364.2395247,162.7496606,11.62269422,158.3754087,-70.76536804,-10.88878038,205.864116,233.5150286,22.5114746,0.69695583,0.311414103,0.022239499,0.30304417,-0.135406326,-0.020835188,190.357015,85.05540306,6.074193567,82.76935371,-36.98303811,-5.690639234,0.126758807,0.229671542,1.996565093,5.966082597,522.6149335,0,1,0,393.1393776,19.82774263,7.32569526,529.3948196,23.00858143,8.089590956,621.4347367,24.92859275,8.53359135,1.935016442,1.821544269,459.47904,415.8861691,74.31854339,1.104819237,6.182562507,5.595994622,3.938405998,4.466158665,7.71775273,0.728051623,4.149594424,4.863373452,3.192991441,18.79427771,7.104149077,6.182163639,6.121920309,8.992474967,5.844307512,1.16881717,1.56691833,1.598253814,1.550431541,0.017449186,6.94E-04,5.32E-27,7.87E-72,2.25E-138,1.24E-226,0,0,0,0,0,0,0,0,0,0,0,0.348257413,4.863166983,0.204812515,6.219078719,0.934435009,0.318072378,0.571785442,0.303560948,1.755224025,0.041325625,0.100413901,0.085980945,0.074062434,1.23E-04,4.89E-06,3.75E-29,5.55E-74,1.58E-140,8.71E-229,0,0,0,0,0,0,0,0,0,0,0,1.124191339,4.863181259,0.70277316,7.674187449,1.355549124,1.151911285,1.489642669,1.277177056,2.2886485,0.170808298,0.319747541,0.309023168,0.276018499,0.001280673,5.09E-05,3.91E-28,5.78E-73,1.65E-139,9.07E-228,0,0,0,0,0,0,0,0,0,0,0,3.916879296,4.863350953,2.970438782,17.63113007,6.429896376,5.694698747,5.706069718,8.177540697,5.487406376,1.064181927,1.448834675,1.47537522,1.424884026,0.015546911,6.18E-04,4.74E-27,7.01E-72,2.00E-138,1.10E-226,0,0,0,0,0,0,0,0,0,0,0,1.656845653,4.863199333,1.077859793,9.003177783,1.893526338,1.832141457,2.183573784,2.183063569,2.744273449,0.289582841,0.494070184,0.487564408,0.444169621,0.002781791,1.11E-04,8.48E-28,1.26E-72,3.58E-139,1.97E-227,0,0,0,0,0,0,0,0,0,0,0,5.011233796,4.863467949,4.061987582,23.54745586,9.937310446,8.132894113,7.74800567,12.33114089,7.286754432,1.596668015,2.036267502,2.087619419,2.055204989,0.025447997,0.001011965,7.76E-27,1.15E-71,3.28E-138,1.80E-226,0,0,0,0,0,0,0,0,0,0,0,2.28124299,3.469318146,1.47668396,9.41706967,2.706833347,2.781747927,3.215664215,3.212326129,3.796462658,0.440800151,0.82006061,0.708069786,0.698334073,0.004809434,1.91E-04,1.47E-27,2.17E-72,6.19E-139,3.41E-227,0,0,0,0,0,0,0,0,0,0,0,4.774810019,1.141436469,0.51862535,0.742020997,0.177382937,0.455917258,0.457933847,0.449923879,6.434871838,8.518457691,17.77991148,0.613031496,1.363774983,4.116625897,0.602360566,0.15699604,0.844265929,0.123536244,0.338954204,0.125489663,0.03919685,4.875982503,3.220555296,8.485839799,0.766398893,0.503640717,4.377899768,0.815418447,0.301804532,0.796688258,0.148389487,0.383291355,0.231258189,0.149247902,5.495122747,5.137187204,11.70969788,0.695032387,0.763797447,4.758502051,1.128003196,0.509772882,0.743948583,0.176353056,0.452807781,0.44702503,0.434485954,6.39627813,8.368386271,17.50092414,0.615922874,1.334318766,4.494419345,0.910894259,0.365785433,0.778780492,0.157837225,0.403951906,0.289454132,0.221080496,5.771099037,6.071125758,13.3397287,0.668170737,0.914486534,4.82586996,1.183512014,0.546316459,0.736133611,0.180531796,0.465722592,0.492980771,0.499933205,6.555698432,8.994499355,18.67047063,0.604200417,1.458636568,4.798796213,1.126402042,0.509155836,0.745808537,0.175060624,0.460515584,0.445753951,0.433304218,6.434354091,8.422223124,17.60875486,0.618712806,1.339573753 +UMLYSI0180,L,"2,6-dimethyl-4-heptanone",CC(C)CC(=O)CC(C)C,saturated alkanone,C9H18O,108-83-8,7958,PubChem,,55.8,0,0.9516,0.90554256,42.98,28.644274,0,0,28,10,18,0,9,0,1,0,0,0,0,0,0,0,1572.634242,1564.204541,2011.714251,1790.74704,1786.897073,1041.00058,796.171492,302.76288,36.578304,4587.550292,5756.123811,7835.435568,8331.94627,6987.641117,5326.771712,4306.94708,3126.683726,1119.0148,202.148712,198.475388,367.04934,481.160976,533.947172,327.27784,312.005776,251.444736,241.864704,33.74633629,43.69433758,62.95551273,70.9796422,60.86738718,43.84924227,40.08763158,32.0604183,16.00606457,4655.118227,3923.904036,8017.869231,10585.52915,12880.1315,6837.755402,7580.079488,5893.952969,6657.035473,93.83333333,64,100.6944444,147.3333333,158.1111111,135.3333333,65,60,36,56.16550864,57.93350152,39.44537747,27.13253091,23.82529431,24.7857281,17.69269982,8.41008,1.016064,163.8410819,213.1897708,153.6359915,126.2416102,93.16854822,126.8278979,95.7099351,86.85232572,31.08374443,7.219596857,7.350940296,7.197045882,7.290317818,7.119295627,7.792329524,6.933461689,6.984576,6.718464,1.205226296,1.618308799,1.234421818,1.075449124,0.811565162,1.044029578,0.890836257,0.890567175,0.444612905,166.2542224,145.3297791,157.2131222,160.3868052,171.7350867,162.8037001,168.4462109,163.7209158,184.917652,3.351190476,2.37037037,1.974400871,2.232323232,2.108148148,3.222222222,1.444444444,1.666666667,1,0.13929946,-0.04694934,-0.006289152,-0.062135877,0.122334586,-0.086882666,0.017168597,-0.026444181,0.019548303,850.0347219,-48.03777086,82.0371444,-545.4420995,708.7197675,-895.9849351,155.1234471,-478.3764804,596.9435659,1367.240348,-97.12506318,4.499850659,-924.8827769,907.879277,-868.1192774,239.398233,-899.7250887,954.4546717,1.127262857,-0.004431755,0.125329224,-0.28334302,0.358110776,-1.102208,0.11569698,-0.047960816,0.275175184,6.076807391,-0.456866205,-0.399947267,-3.959490089,2.836181572,-1.856519421,0.965880162,-4.023875155,3.856232708,33.4170586,-2.519512673,-2.864690403,-21.28350975,13.34350622,-6.944916752,5.103237031,-21.8383373,20.29569432,35.73412698,-1.936082766,3.410856009,-12.93679138,15.55541383,-31.04166667,5.683248299,-3.586734694,6.984693878,0.004974981,-0.001738864,-1.23E-04,-9.41E-04,0.001631128,-0.002068635,3.82E-04,-7.35E-04,5.43E-04,30.35838292,-1.779176699,1.608571459,-8.264274235,9.4495969,-21.33297464,3.447187713,-13.28823557,16.58176572,48.83001241,-3.597224562,0.088232366,-14.01337541,12.10505703,-20.66950661,5.319960734,-24.99236357,26.51262977,0.040259388,-1.64E-04,0.002457436,-0.004293076,0.00477481,-0.026243048,0.002571044,-0.001332245,0.007643755,0.217028835,-0.016920971,-0.007842103,-0.059992274,0.037815754,-0.044202843,0.021464004,-0.11177431,0.107117575,1.193466379,-0.093315284,-0.0561704,-0.32247742,0.177913416,-0.165355161,0.113405267,-0.606620481,0.563769287,1.276218821,-0.071706769,0.06687953,-0.196011991,0.207405518,-0.739087302,0.126294407,-0.099631519,0.194019274,-0.349521843,-0.024787375,-0.189237452,0.327866156,-0.415807619,0.076688613,-0.147650942,0.109147842,-0.05860578,0.052986072,-0.272223796,0.311268124,-0.702704577,0.11354978,-0.437712233,0.546200559,-0.073668311,0.001806929,-0.286982835,0.247901985,-0.423295133,0.108948585,-0.511823822,0.54295767,-0.004077039,0.061040068,-0.106635404,0.118601166,-0.651849148,0.063861974,-0.033091534,0.189862676,-0.077966462,-0.036133923,-0.276425361,0.174242995,-0.203672675,0.098899317,-0.515020549,0.493563793,-0.078188448,-0.04706492,-0.27020235,0.149072835,-0.13855033,0.095021753,-0.508284516,0.472379697,-0.056186892,0.052404438,-0.153588074,0.162515639,-0.57912271,0.098959837,-0.07806774,0.152026652,1.167926976,0.786369459,1.363563843,0.817308857,3.08691565,0.184584058,0.475305874,0,1.291178025,0.9901229,1.330991956,0.570103396,2.02688857,0.683638948,1.281823028,0,1.494522204,1.146575181,1.340087469,0.573605716,1.399783462,0.790359637,1.481924319,0,0.555040021,0.531999098,1.281333961,0.95494831,4.007904101,0.100985142,0.189347142,0,1.552547244,1.205474881,1.340479795,0.626951103,1.182754224,0.794962923,1.490555481,0,1.555544051,1.213997174,1.3396531,0.649829927,1.156905096,0.785263036,1.472368193,0,0.6094392,0.51688931,1.33721165,0.903058301,4.002776235,0.044775125,0.251860078,0,53.59703739,26.9235187,41.29193895,53.79703739,5.379703739,26.9235187,0.25,3.89E-16,3.89E-17,-35.4840376,3000018.186,300001.8186,14.91412891,53.59879923,26.9240324,41.29245266,53.79821169,5.379821169,26.9240324,0.249265579,5.00E-16,5.00E-17,-35.23272317,3000018.186,300001.8186,14.91412891,55.18126083,27.39113318,41.75955344,54.86206525,5.486206525,27.39113318,-0.398994478,1.11E-16,1.11E-17,-36.73680057,3000018.186,300001.8186,14.91412891,53.60064837,26.92457158,41.29299184,53.79944421,5.379944421,26.92457158,0.2484948,7.22E-16,7.22E-17,-34.86499839,3000018.186,300001.8186,14.91412891,56.90235594,27.91003084,42.2784511,56.03652053,5.603652053,27.91003084,-1.082294264,0,0,0,3000018.186,300001.8186,14.91412891,53.78183238,26.97748328,41.34590354,53.92033973,5.392033973,26.97748328,0.173134186,2.22E-16,2.22E-17,-36.04365339,3000018.186,300001.8186,14.91412891,65.54529731,32.75574025,50.94270054,65.84519149,6.584519149,32.75574025,0.499823633,1.11E-16,1.11E-17,-36.73680057,3000018.187,300001.8187,14.91412891,0,11.89,15.99491689,-0.299179482,0.133214696,4.743994618,7.804072997,9,27,26,26,8,1,1,0,0,1,20.635726,3.62266691,3.324378526,2.981357731,2.333552793,2.333552793,2.129651587,1.874818035,1.020416295,1.913105236,1.791374783,1.390831293,1.249629723,1.249629723,1.03180659,0.430962024,0.385169411,3.599885326,3.355738049,2.929431298,2.405454588,2.405454588,2.197884658,1.726313649,1.126073004,1.877234325,1.723341423,1.357724027,1.134540686,1.134540686,0.915781043,0.409597151,0.22783154,3.723651508,3.494300765,3.136458354,2.704236987,2.704236987,2.487337738,2.128381023,1.602337926,1.710835482,1.522024179,1.095183282,0.76031856,0.76031856,0.542544024,0.027444985,0.312347054,3.605294423,3.378888419,2.930405289,2.457539916,2.457539916,2.247693468,1.699123891,1.211747743,1.857237637,1.679880908,1.338817095,1.058262671,1.058262671,0.839146289,0.43169575,0.121470697,3.760590176,3.56193157,3.186884775,2.838982085,2.838982085,2.620352635,2.181596379,1.805266707,1.671817406,1.459126977,1.040361766,0.631337262,0.631337262,0.415944514,0.090226366,0.510455048,4.823001222,3.439479137,3.404427346,2.637173093,2.637173093,2.578267266,2.29574383,1.337228798,1.798809266,1.641971988,1.112450258,0.876303527,0.876303527,0.752386366,0.051425309,0.00279835,0,0,0,1,0,4,2,2,0,0,0,0,0,0,0,0,0,0,0,1.105171716,0,0,0,0.918558654,0,0,0,0.804737854,1.567629566,0.910683603,0.526099421,0.725064753,0.42060056,8.14626437,4.519744508,4.364269937,1.747546896,1.705700753,0.384900179,0.384900179,0,0.814626437,0.502193834,0.396751812,0.218443362,0.189522306,0.096225045,0.096225045,0,7.477162391,4.037128584,3.734617125,1.271838382,0.994016936,0.333333333,0.333333333,0,0.747716239,0.448569843,0.339510648,0.158979798,0.110446326,0.083333333,0.083333333,0,14.59124934,27.32119446,25.87843137,26.24,16.66722994,215.4088168,0.521116048,0.975756945,0.924229692,0.937142857,0.595258212,7.693172027,2.6477,43.917,27.94511868,42.31353894,55.89023737,5.589023737,27.94511868,3.89E-16,3.89E-17,-35.4840376,3000018.186,300001.8186,14.91412891,83,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,2,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,2,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.06388889,0.407407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.477083333,0.802777778,0,0,0,0,0,0,0,0,0,0,8.326296296,0,1.496388889,0,0,0,1.039351852,0,0,0.407407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.06388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.06388889,0.407407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.265625,0.401388889,0,0,0,0,0,0,0,0,0,0,2.081574074,0,0.748194444,0,0,0,0.519675926,0,0,0.407407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.06388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.06388889,0.407407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.081574074,0,0.748194444,0,0,0,0.519675926,0,0,0.407407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.06388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.33333333,2.233333333,0.401388889,11.06388889,0.256944444,0.407407407,4.702499537,1.259259259,4.063888889,8.78037037,1.259259259,4.063888889,8.78037037,4.83333,0.48333,0,0.01667,0.47024,0.77667,0.425,0.47024,0.77667,0.04524,0,-0.04524,0,0.62232,0.09197,0,0.48276,0.31035,0,6.25,0.625,4.75,0.475,1.5,0.15,-3.25,-0.325,0,0,10.24158,1.02416,12.57022,2.32863,0.23286,3.83156,0.38316,4.51972,0.68816,0.06882,0.39428,0.03943,0.39428,0.03943,0,9.01,1,1,1,1,0,0,0.888888889,1.107784385,1.698117421,2.485228136,2.485228136,2.485228136,2.313536889,31.01796278,47.54728779,69.58638781,69.58638781,69.58638781,64.77903289,0.230435323,0.353233212,0.516963731,0.516963731,0.516963731,0.481249445,3.699570537,3.109237501,2.322126786,2.322126786,2.322126786,2.493818033,0.230435323,0.353233212,0.516963731,0.516963731,0.516963731,0.481249445,9.474970853,16.55896729,17.35223717,17.35223717,17.35223717,15.2919422,37.17060982,25.93176328,26.99048874,26.99048874,26.99048874,25.96034126,10,4.760330579,7,10,1,7,2.34,1.3924,1.44224957,2.828427125,4.865761596,0,0.5,4.160167646,0,1.190550789,0,0,0,0,0,0,0,0,0,0,0,0.003,0.455,0.443,0.52,0.149,4.429,11,8,9,4,4,0,0,0,0,55,2.397895273,2.63905733,2.397895273,2.63905733,1.609437912,1.609437912,0,0,0,0,4.17438727,1.163636364,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.444444444,8,0.888888889,0,3,6,1,3.5,0.666666667,0.875,0.16,0.222222222,0,0,0,0,0,0.388888889,0.060606061,0.109375,0.017777778,0.055555556,0,0,0,0,0,0.632203283,27.94511868,42.31353894,55.89023737,5.589023737,27.94511868,3.89E-16,3.89E-17,-35.4840376,3000018.186,300001.8186,14.91412891,17.07,170.3740883,4.321928095,3.713572067,4.369447852,5.164785974,5.837730447,6.639875834,7.317876199,8.121777419,8.801318948,9.605687802,78.57207254,2.944438979,0,4.143134726,0,5.459585514,0,6.840546529,0,8.258163362,8.540323609,142.1357652,5.076277328,18.32237968,1.832237968,2.463427102,2.463427102,0,135,8,2.845,40,1.236962963,2.134411821,2.923220347,3.512380235,4.656567403,5.575865933,6.419893113,6.998058402,0,0,82.53193165,95.08376574,85.47468853,94.71219477,126.9670909,110.7316556,56.23270499,7.110475212,0,0,289.3556322,356.0209667,387.984984,363.2011439,628.7929046,571.681527,574.4843253,217.5258589,0,0,9.125114217,15.44927132,21.35429565,25.02047712,35.74057851,38.76038425,44.92088142,47.01620344,0,0,2.141797697,2.797787083,3.260448523,3.089289616,5.171905745,5.209918925,5.852500583,3.111427074,0,0,177.5632613,331.2368813,466.1044405,595.9300985,747.229493,931.8094048,1044.646726,1294.064528,0,0,2.975320988,4.433763175,6.603437476,7.36833733,13.77101961,8.315695088,10.90186725,6.998058402,0,0,0.452805556,0.607196915,0.726830575,0.707980251,1.193496665,1.120029099,1.274116696,0.71660118,0,0,431.8847232,271.588711,11.27168615,129.196288,-81.24448825,-10.28716755,302.6884352,352.8331992,21.55885371,0.769736838,0.484045451,0.020089231,0.230263162,-0.144799925,-0.018334549,242.3223172,152.3832686,6.324329064,72.48958391,-45.58473962,-5.771934374,0.211728704,0.475712086,0.319611946,6.001648871,548.4648742,12.61613704,0.977514589,0.022485411,630.5403057,25.11056164,8.575068888,804.9069552,28.37088217,9.30211905,1179.327603,34.34133956,10.56521051,2.073877421,2.073877421,922.4008721,872.6308839,150.9890681,1.057034411,6.109057321,5.779430886,4.679694589,4.434145682,8.849941834,0.995861767,5.033424998,7.675259412,3.029227129,21.08994723,6.318720857,4.283617537,6.602157803,8.832090996,14.28441359,0.697105862,8.654836626,8.117044437,6.832062949,5.497216145,4.01414631,0.160263487,0.210434626,8.89E-19,7.24E-58,1.14E-118,3.44E-201,2.01E-305,0,0,0,0,0,0,0,0,0.438914246,7.674981404,0.185797535,9.974910736,0.682748432,0.175796872,0.718628073,0.632140916,4.023295247,0.084300124,0.16458079,1.915050728,0.102338025,1.131194213,0.064390368,0.001129887,0.001482108,6.26E-21,5.10E-60,8.01E-121,2.43E-203,1.42E-307,0,0,0,0,0,0,0,0,1.369490765,7.674882772,0.644859409,10.98539071,1.152520002,0.68803835,1.246231302,1.823045178,5.364768441,0.136529901,0.894904893,2.630050547,0.640734498,1.65623238,0.387410801,0.011765357,0.015444711,6.52E-20,5.31E-59,8.34E-120,2.53E-202,1.48E-306,0,0,0,0,0,0,0,0,4.756253446,7.675287443,2.812228341,21.19613949,6.308315157,3.917073023,6.101498049,8.77277316,13.38987463,0.633815963,7.780340793,7.54245167,6.124578252,5.100396135,3.601401758,0.142792665,0.187493464,7.92E-19,6.45E-58,1.01E-118,3.07E-201,1.79E-305,0,0,0,0,0,0,0,0,2.010801988,7.674866352,0.996020164,11.86982613,1.531222782,1.13645824,1.811348029,2.628396349,6.509230728,0.194016739,1.693977261,3.284466734,1.258339865,2.125375102,0.752628945,0.025553127,0.033547976,1.42E-19,1.15E-58,1.81E-119,5.49E-202,3.21E-306,0,0,0,0,0,0,0,0,6.078612651,7.675458413,3.88141897,25.41956247,8.909256121,5.773202815,8.971607541,11.67515572,17.89912452,0.960704736,12.2954686,10.46580981,9.787073581,7.113539604,5.736446914,0.233725522,0.306899126,1.30E-18,1.06E-57,1.66E-118,5.02E-201,2.94E-305,0,0,0,0,0,0,0,0,3.191933677,6.502187804,1.396849959,21.95915008,6.054988345,2.099884793,3.643646164,8.003408429,8.344405832,0.337960332,3.132989255,5.359277717,2.500431449,3.521620245,1.544800872,0.055218749,0.072498508,3.06E-19,2.49E-58,3.92E-119,1.19E-201,6.93E-306,0,0,0,0,0,0,0,0,7.580848488,1.18377548,0.845297781,0.788856422,0.123182635,0.606658706,0.477540164,0.493838166,9.60992175,16.38273975,33.57838286,0.683284633,1.578037036,5.783506957,0.717944924,0.356013117,0.843388476,0.104695383,0.352708092,0.175651741,0.087066411,6.857464998,6.466841612,14.80255832,0.765082715,0.615426244,6.705172148,0.873007421,0.561202718,0.823793737,0.107257208,0.474288399,0.259720968,0.217036026,8.139382288,10.10656002,21.53103504,0.735690605,0.951045392,7.447035427,1.174389014,0.822724739,0.788534286,0.12435096,0.58541525,0.469997043,0.46777544,9.44414918,15.83877577,32.47824235,0.682801428,1.523187733,7.078692155,0.955139417,0.654857348,0.81470199,0.109929061,0.528704843,0.310888585,0.295834146,8.68868892,12.02215154,25.1384213,0.722052985,1.135427574,7.664369458,1.225250302,0.878836134,0.784603989,0.125429271,0.620151668,0.511588595,0.533935801,9.768455895,17.20329006,35.22469483,0.676905983,1.665676064,7.453576697,1.177531802,0.823567103,0.788348222,0.124544918,0.586476381,0.472515922,0.468814329,9.454675602,15.88512062,32.56809941,0.682522332,1.527806632 +UMLYSI0181,L,"2,2,3-trimethylbutane",CC(C)C(C)(C)C,linear alkanes,C7H16,464-06-2,10044,PubChem,,55.3,0,2.1291,4.53306681,33.3946,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1531.545633,1380.178806,481.578048,54.867456,0,0,0,3461.958223,4376.887272,6343.167377,7546.541765,5529.286689,1678.522199,0,0,0,160.279036,159.125208,296.75898,384.494424,558.565632,362.797056,0,0,0,26.63610648,34.55010896,51.81309115,66.16993845,60.09517588,24.00909686,0,0,0,3846.242925,3210.7269,6671.119844,8301.419053,13833.70606,9985.553209,0,0,0,39.34027778,45.83333333,68.5,103.5,117,54,0,0,0,44.61329874,48.14991518,36.46537221,25.55886678,5.945408,1.016064,0,0,0,150.5199227,198.9494215,151.0277947,139.7507734,68.26279863,31.08374443,0,0,0,6.968653739,7.232964,7.06569,7.120267111,6.895872,6.718464,0,0,0,1.158091586,1.570459498,1.233645027,1.225369231,0.741915752,0.444612905,0,0,0,167.2279533,145.9421318,158.8361868,153.7299825,170.7864946,184.917652,0,0,0,1.71044686,2.083333333,1.630952381,1.916666667,1.444444444,1,0,0,0,0.030588158,-0.009555993,0.016606589,-0.02663582,-0.025211088,0.029502233,0,0,0,589.5388264,-58.58770946,234.1219796,-657.738582,-418.1240046,605.5589032,0,0,0,1096.272622,-108.9463475,435.3598184,-1223.09298,-777.5194411,1126.062639,0,0,0,0.115486609,-0.01147693,0.045862888,-0.128846473,-0.081907622,0.118624832,0,0,0,4.900848691,-0.487040864,1.946260952,-5.467794697,-3.475873664,5.034023928,0,0,0,26.62148787,-2.645613702,10.57212038,-29.70114757,-18.88100091,27.34489787,0,0,0,3.818236715,-2.62505251,2.877205419,-1.377599244,-3.965855388,3.182183365,0,0,0,0.00132992,-4.34E-04,3.95E-04,-4.93E-04,-3.11E-04,5.46E-04,0,0,0,25.63212289,-2.663077703,5.574332848,-12.18034411,-5.162024748,11.21405376,0,0,0,47.66402704,-4.952106706,10.36570996,-22.64986999,-9.599005446,20.85301183,0,0,0,0.005021157,-5.22E-04,0.001091974,-0.002386046,-0.001011205,0.002196756,0,0,0,0.213080378,-0.022138221,0.046339546,-0.101255457,-0.042912021,0.093222665,0,0,0,1.157455995,-0.120255168,0.251717152,-0.550021251,-0.233098777,0.506386998,0,0,0,0.166010292,-0.119320569,0.068504891,-0.025511097,-0.048961178,0.058929322,0,0,0,-0.326608638,0.297307362,-0.370891452,-0.234035141,0.41080492,0,0,0,-0.103896104,0.21747449,-0.475198413,-0.201388889,0.4375,0,0,0,-0.103896104,0.21747449,-0.475198413,-0.201388889,0.4375,0,0,0,-0.103896104,0.21747449,-0.475198413,-0.201388889,0.4375,0,0,0,-0.103896104,0.21747449,-0.475198413,-0.201388889,0.4375,0,0,0,-0.103896104,0.21747449,-0.475198413,-0.201388889,0.4375,0,0,0,-0.718754044,0.412654481,-0.15367178,-0.294928568,0.354973905,0,0,0,1.865358531,0.68757046,1.680400774,1.140016188,2.22E-05,0,0,0,1.642857143,0.968112245,1.756944444,1.003968254,0,0,0,0,1.642857143,0.968112245,1.756944444,1.003968254,0,0,0,0,1.642857143,0.968112245,1.756944444,1.003968254,0,0,0,0,1.642857143,0.968112245,1.756944444,1.003968254,0,0,0,0,1.642857143,0.968112245,1.756944444,1.003968254,0,0,0,0,2.317096315,0.394410429,1.513812009,1.280404871,0,0,0,0,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,24.78895039,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,-7.11E-15,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,36.10604471,17.91284378,26.4792645,35.90578961,5.129398515,17.91284381,-0.280357143,0.059904311,0.008557759,-1.97050477,17.90059046,2.557227209,2.019383589,0,11.89,12.11009426,-0.158279836,0.063161064,6.069125,8.904305318,6,22,22,22,6,0,0,0,0,0,17.491312,3.592210092,2.93473753,2.333552793,2.333552793,2.333552793,1.348564318,0.407859446,0.083923071,1.94842146,1.567579594,1.249629723,1.249629723,1.249629723,0.515601121,0.083923071,0.083923071,3.614885488,2.979392306,2.405454588,2.405454588,2.405454588,1.443680088,0.523383986,0.270913902,1.893841151,1.480174507,1.134540686,1.134540686,1.134540686,0.374584505,0.270913902,0.270913902,3.71701589,3.173591803,2.704236987,2.704236987,2.704236987,1.833306235,0.962616639,0.943918427,1.737865518,1.211712533,0.76031856,0.76031856,0.76031856,0.094802763,0.943918427,0.943918427,3.631722385,3.012216013,2.457539916,2.457539916,2.457539916,1.512321251,0.604822485,0.399277246,1.859471835,1.423475741,1.058262671,1.058262671,1.058262671,0.280302821,0.399277246,0.399277246,3.768138429,3.266108607,2.838982085,2.838982085,2.838982085,2.005337396,1.207644823,1.207644823,1.690770406,1.124849596,0.631337262,0.631337262,0.631337262,0.260760981,1.138209059,1.207644823,3.583739518,3.07441959,2.588679096,2.588679096,2.588679096,1.529446746,0.602848506,0.556291391,1.893648603,1.343323548,0.919804923,0.919804923,0.919804923,0.222356381,0.556291391,0.556291391,0,0,0,0,0,5,0,1,1,0,0,0,0,0,0,0,0,0,0,1.654700538,0.288675135,0.866025404,0.288675135,1.654700538,0.288675135,0.866025404,0.288675135,2.598076211,0.577350269,0,2.598076211,0.577350269,0,6.077350269,2.943375673,3.520725942,1.732050808,0,0,0,0,0.868192896,0.490562612,0.391191771,0.288675135,0,0,0,0,6.077350269,2.943375673,3.520725942,1.732050808,0,0,0,0,0.868192896,0.490562612,0.391191771,0.288675135,0,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.6885,34.293,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,11.28472222,0,0,0,0,0,0.798611111,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.25,0,0,0,0,0,0.798611111,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.261574074,0,0,0,0,0,0.798611111,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.58333333,1.797619048,0.2,2.261574074,0,0.5,5.336909722,0.75,0.261574074,2.569444444,0.75,0.261574074,2.569444444,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.71429,0.14286,0.14286,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,8.30939,1.18706,8.30939,0,0,2.94337,0.42048,2.94337,0,0,0.47063,0.06723,0.47063,0.06723,0,6,0,0,0,0,0,0,1,0.886540893,1.236186283,1.681899068,2.315127716,1.921774503,1.035405623,20.39044053,28.43228451,38.68367855,53.24793747,44.20081356,23.81432932,0.195982923,0.273277186,0.371808562,0.511793082,0.42483656,0.228891664,3.637021063,3.287375673,2.841662889,2.20843424,2.601787454,3.488156333,0.19880132,0.27720714,0.377155479,0.519153093,0.430946064,0.232183316,6.634953582,10.83069827,13.60008547,14.23826915,9.518030588,1.043507705,27.76507516,22.54607319,19.16553126,20.93436246,18.57424318,7.801485814,7,1.851851852,2.666666667,7,0,4,2.23,1.0949,3.920263408,0,3.298769777,3.789291416,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.131,0.009,0.004,2.627,9,6,0,0,0,0,0,0,0,28,1.945910149,2.302585093,1.945910149,0,0,0,0,0,0,0,3.36729583,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,6,1,0,2,3,0.5,3.5,1.333333333,0,0,0,0,0,0,0,0,0.583333333,0.148148148,0,0,0,0,0,0,0,0,0.731481481,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,0,129.6283511,3.807354922,3.433987204,4.110873864,4.934473933,5.666426688,6.475432717,7.221835825,8.026496939,8.776630098,9.580040124,71.22619739,2.564949357,0,3.891820298,0,5.379897354,0,6.91671502,0,8.466531277,8.706821323,100.1252005,4.353269587,12.29305504,1.75615072,0,0,0,42,6,4.238,30,1.224818182,2.109270524,2.951680438,3.454650488,3.913077987,0,0,0,0,0,69.72220731,88.72455476,79.7464231,21.19017043,3.975937672,0,0,0,0,0,268.787596,351.9329754,424.3186102,240.7331816,121.6331161,0,0,0,0,0,8.893455721,14.97766252,21.04161946,23.84625228,26.28987359,0,0,0,0,0,2.059771149,2.80470988,3.687583662,2.602315071,1.739804971,0,0,0,0,0,176.6115071,329.7128201,452.0018764,588.1417883,723.5971936,0,0,0,0,0,2.588977273,3.627320952,5.748036126,5.048734536,3.913077987,0,0,0,0,0,0.427911136,0.588223049,0.782919996,0.573102175,0.400699186,0,0,0,0,0,342.4271852,130.4788689,8.116067026,101.5476956,-38.69385678,-5.796802571,240.8794896,169.1727257,13.9128696,0.771276034,0.293887953,0.018280464,0.228723966,-0.087153257,-0.0130566,152.0290687,57.92934027,3.60332989,45.08462602,-17.17910045,-2.57363473,0.078876995,0.163203804,1.326139724,7.088037123,443.9748807,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,669.3452909,25.87170831,8.747488981,1.095700112,1.095700112,263.0597656,215.3646754,165.3093865,1.221461993,1.591317778,1.30279762,3.637217467,3.220218461,5.261260744,0.633821061,4.462408855,5.691187896,2.838021923,31.37300548,4.13368779,4.853544508,10.19774657,13.31665696,4.946205101,0.01337715,7.94E-24,9.09E-67,2.01E-131,8.55E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851902,0.150027288,10.09099914,2.016656515,0.105484909,0.688668416,0.642338515,0.034836527,9.42E-05,5.59E-26,6.40E-69,1.41E-133,6.03E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690874984,0.54238975,13.2833959,2.184108306,0.539358425,2.134850283,2.386693723,0.36302347,9.82E-04,5.83E-25,6.67E-68,1.47E-132,6.28E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.69115123,2.618165909,29.66269788,3.91044984,4.373497933,9.440555381,12.24260957,4.406979696,0.0119188,7.08E-24,8.10E-67,1.79E-131,7.62E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690904339,0.858147305,15.81684405,2.377647511,0.996142624,3.274532199,3.834366846,0.788535486,0.002132616,1.27E-24,1.45E-67,3.20E-132,1.36E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691341932,3.714837547,38.16812044,5.06655274,6.845960596,13.20004339,17.63188057,7.213575288,0.019509317,1.16E-23,1.33E-66,2.93E-131,1.25E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.704336019,4.256075768,1.054784201,19.64477258,3.169610386,1.788023979,5.263983409,6.329010249,1.530653182,0.004139694,2.46E-24,2.81E-67,6.21E-132,2.65E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.145920909,1.661374042,1.067828051,0.440177798,0.340786077,0.583636037,0.606390022,0.455537188,4.875123002,7.63071364,16.31283296,0.171445813,1.645563248,1.563560077,1.063578484,0.588266478,0.486271576,0.330775896,0.313998379,0.248517108,0.141443713,3.215405039,3.208426404,7.402100274,0.229407365,0.7039592,1.804564262,1.311184862,0.787109591,0.462369866,0.33595499,0.415745816,0.377698325,0.250783718,3.902858715,4.818553362,10.58380573,0.197487285,1.044227859,2.13244559,1.647560472,1.056764982,0.440882062,0.340632305,0.576481191,0.596348228,0.446372078,4.836771044,7.507911101,16.0574495,0.172271551,1.619201497,1.907750409,1.417101191,0.872072922,0.454559142,0.337652294,0.463561223,0.441183165,0.306602276,4.196924522,5.602988427,12.15754062,0.188317153,1.211346664,2.187820796,1.704320559,1.102218241,0.438058324,0.341249068,0.606159754,0.638145589,0.484594954,4.994359596,8.01873716,17.12299078,0.168961089,1.728900296,2.136550383,1.651655338,1.058166822,0.440855581,0.340802388,0.578519861,0.599316254,0.447286699,4.846372543,7.537398453,16.11787753,0.172486954,1.625122814 +UMLYSI0182,L,"3,4-dimethylhexane",CCC(C)C(C)CC,linear alkanes,C8H18,583-48-2,11412,PubChem,,55.2,0,-0.2066,0.04268356,34.6912,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1483.122152,1564.909256,1089.789796,460.407193,103.124448,9.144576,0,3947.642614,5029.877407,6806.459662,7774.63306,7153.877106,4470.825939,1620.932031,279.7536999,0,181.25648,180.900988,339.441056,442.613024,502.984336,493.333156,244.259712,60.466176,0,30.31423229,39.56609758,57.48793273,68.17071473,68.14653374,49.07290716,20.01965301,4.001516144,0,4342.872585,3643.766351,7584.388218,10167.38237,11809.77359,12556.45535,6466.264847,1664.258868,0,42.05555556,49.77777778,74.66666667,97.91666667,113,94,42,9,0,45.09238923,49.11105724,30.89837817,24.83982946,15.13596939,6.394544347,2.864568,1.016064,0,151.8324082,201.1950963,141.801243,123.406874,99.35940425,62.09480471,45.02588975,31.08374443,0,6.971403077,7.23603952,7.071688667,7.025603556,6.985893556,6.851849389,6.784992,6.718464,0,1.165932011,1.582643903,1.197665265,1.082074837,0.946479635,0.681568155,0.556101472,0.444612905,0,167.033561,145.7506541,158.0080879,161.3870218,164.0246332,174.3952133,179.618468,184.917652,0,1.617521368,1.991111111,1.555555556,1.554232804,1.569444444,1.305555556,1.166666667,1,0,0.036047443,-0.007598785,-0.004383136,0.001712488,-0.021532739,0.001156633,0.007892153,0.004729664,0,670.5194345,-58.02572029,-45.8474827,-97.42590073,-478.5331007,52.29478495,189.1208661,103.1568361,0,1246.859521,-107.9013047,-85.25535183,-181.1676226,-889.8527348,97.24438569,351.6783263,191.8245416,0,0.131350154,-0.01136684,-0.008981207,-0.019085065,-0.093741349,0.010244189,0.037047479,0.020207716,0,5.574042193,-0.482369036,-0.38113109,-0.809903567,-3.978055753,0.43472765,1.572165747,0.857544953,0,30.27828566,-2.620236259,-2.070310131,-4.399409027,-21.60886199,2.361447493,8.540029288,4.658197794,0,3.487179487,-1.641518738,-0.284023669,1.370808679,-1.861932939,-0.156804734,0.402366864,0.427514793,0,0.00138644,-3.04E-04,-9.13E-05,2.72E-05,-2.99E-04,1.61E-05,2.19E-04,5.26E-04,0,25.78920902,-2.321028812,-0.95515589,-1.546442869,-6.646293065,0.726316458,5.253357393,11.46187067,0,47.95613541,-4.316052187,-1.776153163,-2.87567655,-12.35906576,1.350616468,9.768842398,21.31383796,0,0.005051929,-4.55E-04,-1.87E-04,-3.03E-04,-0.001301963,1.42E-04,0.001029097,0.002245302,0,0.214386238,-0.019294761,-0.007940231,-0.012855612,-0.055250774,0.006037884,0.043671271,0.095282773,0,1.164549448,-0.10480945,-0.043131461,-0.069831889,-0.300123083,0.032797882,0.237223036,0.517577533,0,0.134122288,-0.06566075,-0.00591716,0.021758868,-0.02586018,-0.002177844,0.011176857,0.047501644,0,-0.219231549,-0.065863163,0.01960586,-0.215707704,0.01158676,0.158121848,0.379041424,0,-0.09,-0.037037037,-0.059964727,-0.257716049,0.02816358,0.203703704,0.444444444,0,-0.09,-0.037037037,-0.059964727,-0.257716049,0.02816358,0.203703704,0.444444444,0,-0.09,-0.037037037,-0.059964727,-0.257716049,0.02816358,0.203703704,0.444444444,0,-0.09,-0.037037037,-0.059964727,-0.257716049,0.02816358,0.203703704,0.444444444,0,-0.09,-0.037037037,-0.059964727,-0.257716049,0.02816358,0.203703704,0.444444444,0,-0.489558824,-0.044117647,0.162231559,-0.192810458,-0.016237745,0.083333333,0.354166667,0,1.755319385,1.112007843,1.012429161,1.291865768,0.761583031,0.447480228,0,0,1.625,1.222511574,1.14638448,1.253858025,0.689621914,0.376157407,0,0,1.625,1.222511574,1.14638448,1.253858025,0.689621914,0.376157407,0,0,1.625,1.222511574,1.14638448,1.253858025,0.689621914,0.376157407,0,0,1.625,1.222511574,1.14638448,1.253858025,0.689621914,0.376157407,0,0,1.625,1.222511574,1.14638448,1.253858025,0.689621914,0.376157407,0,0,2.102941176,0.871246936,0.749153828,1.377399918,0.871246936,0.597426471,0,0,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,35.35173964,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,0,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,46.76293868,23.25299712,34.91578997,46.57023035,5.821278793,23.25299712,-0.256944444,3.89E-16,4.86E-17,-28.38723008,26.40131945,3.300164931,2.61873119,0,11.89,12.11011416,-0.169035856,0.051418417,5.512550154,8.586130947,7,25,25,25,7,0,0,0,0,0,19.677726,3.574523796,3.101489964,2.723753363,2.575306449,1.92423326,1.744095946,1.288136135,0.801764835,1.948704756,1.669661871,1.453341321,1.374341706,0.942319753,0.843000671,0.542599084,0.287950024,3.599119055,3.141133145,2.777312368,2.635344871,2.005548036,1.833272234,1.394339446,0.935634121,1.892730457,1.589990306,1.356067346,1.270102422,0.816906761,0.709742075,0.3960242,0.122828495,3.708371245,3.313949361,3.006450737,2.889784995,2.341449071,2.199235012,1.821569341,1.456885847,1.730395931,1.348016717,1.050703404,0.938446788,0.404011052,0.266914215,0.10092888,0.451211033,3.617297672,3.170283105,2.816477119,2.679119236,2.064367535,1.897651895,1.470513059,1.030547104,1.857286538,1.53855301,1.292438027,1.201566386,0.733390689,0.620692447,0.297377104,0.01073456,3.762224513,3.396740649,3.113447808,3.007175732,2.4914679,2.361262737,2.006377226,1.674868587,1.680519263,1.270473056,0.949523501,0.826955631,0.259873085,0.110752411,0.280447435,0.665242944,3.580148549,3.226731387,2.942340846,2.830174566,2.169152693,1.988854382,1.539160102,1.129587959,1.881570033,1.467991507,1.155748079,1.042203552,0.603807729,0.498450375,0.192759037,0.11930666,0,0,0,0,0,4,2,2,0,0,0,0,0,0,0,0,0,0,0,0.471404521,0,0.166666667,0,0.471404521,0,0.166666667,0,1.276142375,1.138071187,0.666666667,1.276142375,1.138071187,0.666666667,6.568914101,3.718744015,2.771064349,2.259305623,0.804737854,0.166666667,0,0,0.821114263,0.531249145,0.346383044,0.282413203,0.201184464,0.166666667,0,0,6.568914101,3.718744015,2.771064349,2.259305623,0.804737854,0.166666667,0,0,0.821114263,0.531249145,0.346383044,0.282413203,0.201184464,0.166666667,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.0786,38.91,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,52,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,9.176574074,0,2.656759259,0,0,0,1.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.260740741,0,1.32837963,0,0,0,0.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.327546296,0,1.32837963,0,0,0,0.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.66666667,1.708333333,0.2,2.327546296,0.2,0.916666667,6.02400463,0.416666667,0.327546296,2.353148148,0.416666667,0.327546296,2.353148148,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0.25,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.0653,1.13316,9.0653,0,0,3.71873,0.46484,3.71873,0,0,0.19527,0.02441,0.19527,0.02441,0,7,0,0,0,0,0,0,1,0.89049164,1.352030102,2.353533949,2.81507241,2.81507241,2.376577047,23.15278265,35.15278265,61.19188266,73.19188266,73.19188266,61.79100323,0.189448582,0.287639068,0.500705059,0.598895546,0.598895546,0.505607388,3.809948078,3.348409616,2.34690577,1.885367308,1.885367308,2.323862671,0.191756937,0.291143835,0.50680595,0.606192848,0.606192848,0.511768011,6.648700044,12.18716158,14.88760607,15.35275608,15.35275608,10.09081173,31.72521615,23.41346491,22.07229718,21.75251411,21.75251411,21.47599693,8,3.9375,2.8125,8,0,6,2.34,1.2358,1.668817935,3.614408014,4.298279727,0,0.333333333,2.828427125,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,3.31,8,8,4,1,0,0,0,0,0,36,2.079441542,2.197224577,2.197224577,1.609437912,0.693147181,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,2,1.333333333,0.375,0.08,0,0,0,0,0,0,0.285714286,0.166666667,0.046875,0.02,0,0,0,0,0,0,0.519255952,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,0,146.9243357,4,3.433987204,4.143134726,4.875197323,5.609471795,6.34738921,7.085901464,7.825245291,8.564649133,9.304285985,72.18926213,2.708050201,0,3.850147602,0,5.209486153,0,6.642486801,0,8.103191752,8.371242136,114.1408506,4.390032714,14.49160575,1.811450719,0,0,0,68,8,4.77,30,1.2278,2.116942009,2.891585598,3.540350992,4.221191693,5.420671653,7.058444873,0,0,0,71.2221278,74.49919381,80.64635164,63.03810421,33.48256727,17.83799085,7.171831732,0,0,0,272.5498825,326.3003669,381.1705458,380.9895487,291.396222,261.494311,219.4028965,0,0,0,8.919363223,15.03016952,20.36679815,24.80772697,29.03266459,36.86235503,47.42190778,0,0,0,2.081648384,2.695254639,3.274776271,3.536013851,3.088492415,3.153772732,3.138275679,0,0,0,176.77647,330.1832551,463.000294,575.1636384,727.6283361,967.0302533,1305.231053,0,0,0,2.496728889,3.403382069,4.613872086,5.717334224,5.765481153,6.532403224,7.058444873,0,0,0,0.4321989,0.568411947,0.695786993,0.760399123,0.679567967,0.708051041,0.722784755,0,0,0,386.3836951,170.7411405,9.288901912,130.1659684,-57.5197302,-7.813037154,256.2177267,228.2608707,17.10193907,0.748008802,0.330541577,0.017982592,0.251991198,-0.111353727,-0.015125433,199.5863677,88.19627866,4.798179157,67.23718717,-29.71179728,-4.035821712,0.067587796,0.146934612,0.985323937,8.373062457,516.5496635,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,758.5650936,27.54206045,9.120058373,1.68402738,1.526290971,549.2896212,455.6079474,134.9400024,1.205619051,4.070621102,3.376374236,4.21846949,4.466158665,7.63628977,0.709811572,5.020209962,6.639704814,2.933180332,28.20191537,8.625102626,7.28639905,9.679626432,15.96386685,9.217751689,3.704484017,3.632112305,0.073937924,1.544812114,1.267677695,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327102,0.182778582,8.839515583,2.040039688,0.190002846,0.810203283,0.829060378,2.140742745,0.063235935,0.028036494,0.008212694,0.127880219,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.63935305,0.631796352,11.49035953,2.492879758,0.890986114,2.219914354,2.932381448,2.972162498,0.367320732,0.272224788,0.01265383,0.413976048,0.093040371,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.639663595,2.725040067,26.55615867,7.90665325,6.58750699,8.994882664,14.68850519,8.567590592,3.326205067,3.237603876,0.066739291,1.456961205,1.129478003,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.639386051,0.973406227,13.69650368,3.068389154,1.59414999,3.306621036,4.669013865,3.724962619,0.706464541,0.585783105,0.018367329,0.611301281,0.202096118,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.639877975,3.748977542,34.81816638,11.64321554,10.17435144,12.37588682,21.08201557,11.87129252,5.281485259,5.290215196,0.104196175,1.871341804,1.848788779,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.121827968,5.561207718,1.376810661,16.69134363,4.67071267,3.109639664,5.139406057,7.680775806,5.414712886,1.352297888,1.254115694,0.033401165,1.050802293,0.434373797,1.23E-06,2.74E-33,1.17E-81,9.71E-152,1.55E-243,0,0,0,0,0,0,0,0,0,0,0,4.668059509,1.571847047,0.590241609,0.683449231,0.230133668,0.48986518,0.456156105,0.447267179,6.830148166,11.02052804,22.18155958,0.525173846,1.393288464,3.810735526,1.001383039,0.180658046,0.763249755,0.200566362,0.325425964,0.183089664,0.042367796,4.99277661,4.685353856,10.36752264,0.644874633,0.550883424,4.163911407,1.236642579,0.349513196,0.724150045,0.215065762,0.389038979,0.280601997,0.157819768,5.750067181,7.036835022,14.58664006,0.586225067,0.827460743,4.648069591,1.55856854,0.580702684,0.684814527,0.229628743,0.48564238,0.448379156,0.433029953,6.787340815,10.84854646,21.84269207,0.527221791,1.367051489,4.315818379,1.337716995,0.422083646,0.710350396,0.220177893,0.418176866,0.328990885,0.229709952,6.07561902,8.159608416,16.67206135,0.565525595,0.976877702,4.730262571,1.613159794,0.619921054,0.679309103,0.231664546,0.503124383,0.48078745,0.493017846,6.963343419,11.56309047,23.2568465,0.518963654,1.476929679,4.662997142,1.563792496,0.581220542,0.684928051,0.229698907,0.488862471,0.451653254,0.433421443,6.808010179,10.91109798,21.95734507,0.527392076,1.373937167 +UMLYSI0183,L,"2,5-dimethylfuran",CC1=CC=C(O1)C,furan,C6H8O,625-86-5,12266,PubChem,,55,0,0.7669,0.58813561,32.3767,16.696344,5,5,15,7,8,0,6,0,1,0,0,0,0,0,0,0,1129.681239,1202.505287,1617.143825,828.159364,319.859737,78.738912,9.144576,0,0,3006.162143,3640.936444,4662.371147,3528.62656,2216.331998,874.9221648,279.7536999,0,0,112.342524,114.711404,189.32522,183.826192,147.498148,83.016576,60.466176,0,0,20.93350724,25.53153448,33.10498053,27.01379989,21.04619777,9.348943289,4.001516144,0,0,2425.558639,2165.638819,3888.076483,3704.794767,3380.015936,2028.241198,1664.258868,0,0,41.80555556,45,68.77777778,63,36,18,9,0,0,75.3120826,80.16701913,64.685753,36.00692887,15.23141605,6.561576,1.016064,0,0,200.4108095,242.7290963,186.4948459,153.4185461,105.5396189,72.9101804,31.08374443,0,0,7.4895016,7.647426933,7.5730088,7.99244313,7.023721333,6.918048,6.718464,0,0,1.395567149,1.702102299,1.324199221,1.174513039,1.002199894,0.779078607,0.444612905,0,0,161.7039092,144.3759213,155.5230593,161.0780334,160.9531398,169.0200999,184.917652,0,0,2.787037037,3,2.751111111,2.739130435,1.714285714,1.5,1,0,0,0.124695282,-0.048055391,0.051511859,-0.095990295,0.013716601,0.008426605,0.008042979,0,0,513.6289296,22.3423712,244.2871244,-562.2005049,-217.2027322,-6.53904648,262.4983232,0,0,778.6923982,-49.26426573,144.3439326,-362.8604677,-444.1614858,-70.71551803,393.3116055,0,0,1.0071936,0.0196128,0.1592304,-0.99383472,0.06560736,0.08801952,0.15776784,0,0,3.531677142,-0.514646227,-0.317331639,0.044769678,-2.044165155,-0.449554928,1.5150897,0,0,19.71791966,-3.310735889,-3.378007883,2.769430554,-11.15491102,-2.63510014,7.850364543,0,0,7.048148148,-0.92037037,4.929012346,-9.542345679,-0.584074074,0.139259259,2.454444444,0,0,0.008313019,-0.003203693,0.002060474,-0.004173491,6.53E-04,7.02E-04,8.94E-04,0,0,34.24192864,1.489491413,9.771484976,-24.44350021,-10.34298725,-0.54492054,29.16648036,0,0,51.91282655,-3.284284382,5.773757306,-15.77654207,-21.15054694,-5.892959836,43.7012895,0,0,0.06714624,0.00130752,0.006369216,-0.043210205,0.00312416,0.00733496,0.01752976,0,0,0.235445143,-0.034309748,-0.012693266,0.001946508,-0.097341198,-0.037462911,0.1683433,0,0,1.314527977,-0.220715726,-0.135120315,0.120410024,-0.531186239,-0.219591678,0.872262727,0,0,0.469876543,-0.061358025,0.197160494,-0.414884595,-0.027813051,0.011604938,0.272716049,0,0,-0.385382595,0.247861146,-0.50204278,0.078572116,0.084471976,0.107501785,0,0,0.043499051,0.285366081,-0.713847064,-0.302056212,-0.015913839,0.851776799,0,0,-0.063265374,0.111220245,-0.303904509,-0.407424299,-0.113516451,0.841820652,0,0,0.019472721,0.094855885,-0.643523825,0.046527698,0.109238581,0.261068379,0,0,-0.145722898,-0.053911775,0.008267351,-0.413434725,-0.159115241,0.715000097,0,0,-0.167904928,-0.102789988,0.091599438,-0.404088957,-0.167049832,0.663555848,0,0,-0.13058329,0.419600631,-0.882965112,-0.059192253,0.024697846,0.580399369,0,0,1.278644194,0.865161225,2.621307562,0.130695021,0.096386424,0,0,0,0.908873328,0.694659989,1.782669563,1.09996668,0.82497501,0,0,0,1.120632197,0.859054583,1.140818028,1.349177928,1.011883446,0,0,0,0.851911159,0.982735077,2.798105634,0.109884204,0.082413153,0,0,0,1.263001368,1.036850972,0.879905043,1.329862973,0.997397229,0,0,0,1.298219785,1.092073564,0.843870257,1.293861607,0.970396205,0,0,0,1.004203889,0.587073043,2.552491489,0.504466632,0.496584341,0,0,0,17.2512011,8.75060055,12.42100359,17.42977253,2.489967504,8.751162606,0.25,4.44E-16,6.34E-17,-24.74535435,2000018.265,285716.895,10.15606681,17.25557748,8.752421529,12.42440573,17.43362432,2.49051776,8.752982423,0.249265579,7.77E-16,1.11E-16,-24.35362329,2000018.266,285716.8951,10.15606681,21.23794274,10.41947413,15.58751727,20.95294668,2.993278097,10.41956915,-0.398994478,3.33E-16,4.76E-17,-24.9467318,2000020.258,285717.1797,10.15606751,17.26017089,8.754332844,12.42797686,17.43766717,2.491095311,8.754892521,0.2484948,7.77E-16,1.11E-16,-24.35362329,2000018.267,285716.8952,10.15606681,25.76738659,12.27627688,19.14288819,25.30354619,3.614792312,12.27629223,-1.082294264,0,0,0,2000023.418,285717.6311,10.15606861,17.71110313,8.942118658,12.77980941,17.83477041,2.547824344,8.942571639,0.173134186,0,0,0,2000018.385,285716.9122,10.15606685,17.08405805,8.749965531,12.15254904,17.3811102,2.483015743,8.750545125,0.415873016,1.11E-16,1.59E-17,-25.7157604,2000019.616,285717.088,10.15606728,0,11.89,15.99491614,-0.319106959,0.135565102,5.358571458,6.709038668,7,15,13,10,2,2,0,0,0,5,10.661656,3.82425426,2.852587597,2.440965921,1.982838307,1.590045842,0.376234974,0.083923071,0.083923071,1.685394744,1.624782664,1.190372398,0.748730831,0.149925007,0.083923071,0.083923071,0.083923071,3.742696978,2.890505745,2.485428603,1.759011632,1.649787844,0.504005159,0.270913902,0.270913902,1.645302925,1.635270651,1.091945166,0.784306587,0.076155921,0.270913902,0.270913902,0.270913902,3.871489847,3.065817247,2.725312629,2.16011785,1.909679564,0.963466379,0.943918427,0.943918427,1.504200862,1.421874763,0.771670347,0.388994279,0.497193224,0.943918427,0.943918427,0.943918427,3.724494194,2.918990139,2.524595886,1.695899316,1.693578172,0.592657952,0.399277246,0.399277246,1.664736074,1.604865898,1.026550746,0.778523624,0.001809185,0.399277246,0.399277246,0.399277246,3.874293694,3.15430001,2.838709877,2.178533571,2.036200717,1.207644823,1.207644823,1.207644823,1.467905353,1.405069119,0.662508967,0.305553504,0.668506073,1.130458367,1.207644823,1.207644823,3.932979111,2.954522796,2.617701775,2.310837251,1.733918218,0.647550996,0.529411765,0.529411765,1.569510176,1.464847133,0.932403176,0.496146332,0.235984905,0.529411765,0.529411765,0.529411765,0,0,0,4,0,2,0,0,0,0,0,0.11785113,0.23570226,0.11785113,0,0,0.034020691,0.068041382,0.034020691,0.577350269,0,0,0,0.23570226,0,0,0,0.741581624,1.040440115,0.589255651,0.253933894,0.321975275,0.170103454,5.276020882,3.2876937,3.023395961,1.95700308,1.491624578,0.638071187,0,0,0.753717269,0.469670529,0.335932885,0.217444787,0.149162458,0.127614237,0,0,4.562948829,2.318931893,1.656696226,0.874724706,0.556683324,0.219416097,0,0,0.651849833,0.331275985,0.184077358,0.097191634,0.055668332,0.043883219,0,0,8.88211032,14.8820102,14.25098039,14.44,9.674457485,113.7529305,0.592140688,0.992134013,0.950065359,0.962666667,0.644963832,7.583528703,1.31644,28.417,22.47266809,30.16393587,44.94533619,6.420762312,22.47266809,3.33E-16,4.76E-17,-24.9467318,2000014.736,285716.3909,10.15606557,42,0,0,1,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,2,0,0,0,0,0,0,0,0,2,0,0,0,0,2,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.083333333,5.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.979861111,0,0,0,0,0.979861111,0,0,0,0,0,0,0,0,3.875,0,0,0,0,3.907407407,0,0,0,0,1.967592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.083333333,0.983796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.489930556,0,0,0,0,0.489930556,0,0,0,0,0,0,0,0,1.9375,0,0,0,0,1.953703704,0,0,0,0,0.983796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.083333333,1.953703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.489930556,0,0,0,0,0.489930556,0,0,0,0,0,0,0,0,1.9375,0,0,0,0,1.953703704,0,0,0,0,0.983796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.83333333,2.119047619,0.489930556,5.083333333,0.236111111,0.983796296,3.235833333,0.68287037,1.583333333,3.166666667,0.68287037,1.583333333,3.166666667,3.33333,0.47619,0,0.02381,0.53778,0.80952,0.43333,0.48772,0.80952,0.10444,0.05006,-0.05439,0,0.58823,0.12606,0,0.3,0.3,0,9,1.28571,4,0.57143,5,0.71429,1,0.14286,0,0,3.24466,0.46352,6.88311,3.63845,0.51978,1.42047,0.20292,3.28768,1.86721,0.26674,0.12632,0.01805,0.21232,0.03033,0.333333333,7.01,0,1,1,1,0,0,0.333333333,1.272905595,2.339572262,2.339572262,2.339572262,2.339572262,2.339572262,19.09358393,35.09358393,35.09358393,35.09358393,35.09358393,35.09358393,0.325810402,0.598832295,0.598832295,0.598832295,0.598832295,0.598832295,2.633985,1.567318334,1.567318334,1.567318334,1.567318334,1.567318334,0.308263103,0.566580748,0.566580748,0.566580748,0.566580748,0.566580748,10.99874005,19.04262746,19.04262746,19.04262746,19.04262746,19.04262746,24.98883943,19.9845481,19.9845481,19.9845481,19.9845481,19.9845481,5.142857143,1.851851852,1.185185185,0,5,0,2.01,0.8181,0.25,1.632993162,2.309401077,0,1,2.828427125,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.154,0.148,0.429,0.411,3.015,9,9,10,5,0,0,0,0,0,47,2.351375257,2.90416508,3.291196486,3.739156607,3.203762187,0,0,0,0,0,4.830810618,2.644946809,0.5,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,2,0.285714286,0,2,4,1,2,0.666666667,0.569444444,0,0,0,0,0,0,0,0.285714286,0.074074074,0.142361111,0,0,0,0,0,0,0,0.502149471,12.04649272,17.69224403,24.09298544,3.441855063,12.04651033,4.44E-16,6.34E-17,-24.74535435,2000016.674,285716.6677,10.15606625,13.14,92.59321705,3.807354922,3.496507561,4.234106505,5.043425117,5.802118375,6.610696045,7.378383713,8.182838711,8.955835144,9.75643661,73.46034778,2.708050201,0,3.931825633,2.397895273,5.303304908,4.59511985,6.736966958,6.502790046,8.206583614,8.621913502,96.05751488,6.403834325,13.45353991,1.921934272,2.895226194,2.895226194,0,41,4,1.181,32,1.345305484,2.305450102,3.452381606,4.272473722,5.533025255,6.288407111,0,0,0,0,127.2057797,174.7831279,136.7251856,74.63157529,38.2208363,6.389424083,0,0,0,0,358.3069224,476.4834387,560.4268986,484.3018823,417.8611031,195.4672395,0,0,0,0,10.48545941,17.78414114,27.71193351,30.10890469,38.34667244,42.24843679,0,0,0,0,2.416228405,3.261621367,4.221963345,4.504213048,4.426189124,2.795906952,0,0,0,0,192.4617248,353.1599369,553.0231848,680.0972407,929.7013212,1162.837478,0,0,0,0,4.349376817,7.002339625,9.685675569,7.603491684,8.472242457,6.288407111,0,0,0,0,0.546242611,0.772499992,0.99387824,0.967529136,0.971018073,0.643932888,0,0,0,0,267.5060254,112.6189988,10.51163985,110.0028995,-46.31079389,-12.12033717,157.5031259,158.9297927,22.63197702,0.70860848,0.298321421,0.027844745,0.29139152,-0.122674699,-0.032106094,100.9859121,42.51467717,3.968237859,41.52707632,-17.48273801,-4.575535453,0.153038853,0.757939762,3.541267415,24.26183662,345.498681,32.01024387,0.915206657,0.084793343,458.1364071,21.40412126,7.709003956,536.0573203,23.1529117,8.123385754,706.7320518,26.58443251,8.907413139,2.47410681,2.47410681,383.9712677,305.6160244,102.6950071,1.256384604,3.738947769,2.975957965,3.872798679,4.264305803,6.726399482,0.577372682,2.394553898,2.810475747,3.711715652,4.656174413,3.472449837,3.18988394,3.096018681,7.021744133,1.897575833,3.892920083,3.59531017,1.330572083,6.23E-04,1.02E-26,3.59E-71,2.43E-137,3.18E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,0.20098838,2.98997887,1.214669249,4.217481926,1.862478511,1.433798188,2.211672169,0.378962639,0.080709285,0.91734481,0.267281904,0.00937133,4.39E-06,7.21E-29,2.53E-73,1.71E-139,2.24E-227,0,0,0,0,0,0,0,0,0,0,0,0,0,0.648741857,2.656071039,1.596265216,3.54903144,1.641460859,1.042342893,2.334929114,1.361349924,0.312292382,1.265755134,0.88551705,0.097656468,4.58E-05,7.52E-28,2.63E-72,1.78E-138,2.33E-226,0,0,0,0,0,0,0,0,0,0,0,0,0,2.260265394,2.989348291,3.591046096,5.048663404,3.684975422,3.522288612,3.220610178,6.484266143,1.737076587,3.619143187,3.369960329,1.185515773,5.55E-04,9.13E-27,3.20E-71,2.17E-137,2.83E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,0.956110586,2.529186908,1.900249673,3.350035417,1.678720897,0.969466562,2.386090805,2.14630268,0.512621469,1.581820867,1.328053905,0.212122893,9.94E-05,1.63E-27,5.72E-72,3.88E-138,5.06E-226,0,0,0,0,0,0,0,0,0,0,0,0,0,2.891763809,2.923807646,4.396252991,5.16282367,4.122649265,4.277439198,3.445702838,9.167120349,2.547776932,5.010613864,4.454216115,1.940514328,9.09E-04,1.49E-26,5.23E-71,3.55E-137,4.63E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,1.342288273,3.047606263,2.316762126,5.493363705,3.454180536,3.071215046,2.926154581,3.015552411,0.777358356,2.100571692,1.889780733,0.372928515,1.75E-04,2.87E-27,1.01E-71,6.81E-138,8.90E-226,0,0,0,0,0,0,0,0,0,0,0,0,0,5.24945724,1.427021782,0.288111223,0.75373526,0.204896732,0.611667185,0.424205408,0.430227906,6.964590245,9.414658361,18.53751566,0.63060289,1.466100499,3.056545464,0.960913515,0.152988944,0.732905798,0.230410146,0.208439027,0.206620486,0.08574057,4.170447923,3.551702654,8.17149071,0.599358697,0.500800083,3.989266361,1.068525118,0.181060964,0.761477137,0.203961675,0.353446902,0.239681771,0.163715105,5.238852443,5.178399911,11.18904849,0.642215706,0.756843778,5.071179894,1.415227381,0.292456895,0.748086961,0.208770577,0.571024348,0.419275171,0.433222111,6.778864169,9.073867168,17.95165722,0.622130441,1.423521629,4.445740672,1.150072096,0.19564076,0.76763815,0.198580907,0.438672476,0.275177317,0.199499824,5.791453528,6.207691354,12.99944088,0.651457225,0.913349617,5.399810446,1.482249454,0.307147638,0.751099536,0.206177029,0.647229736,0.45790907,0.487831548,7.189207539,10.11767453,19.76525063,0.626649304,1.592970354,5.147160016,1.412838764,0.286413765,0.751803953,0.206361909,0.588142708,0.416553835,0.42183257,6.846412544,9.15098114,18.08022528,0.62770593,1.426529113 +UMLYSI0184,L,2-pentyne,CCC#CC,alkynes/alkadienes,C5H8,627-21-4,12310,PubChem,,54.7,0,1.5393,2.36944449,24.416,14.134344,0,0,13,5,8,0,5,0,0,0,0,0,0,0,0,0,729.449117,673.913188,560.975691,391.48133,241.120825,78.738912,9.144576,0,0,2366.254464,2611.960538,2635.50308,1951.429201,1341.409833,874.9221648,279.7536999,0,0,91.450292,87.10312,140.827116,112.332872,64.481572,83.016576,60.466176,0,0,17.50140324,20.06395448,22.61443343,17.15383191,11.69725448,9.348943289,4.001516144,0,0,2113.312997,1732.157806,3206.03211,2588.075006,1351.774738,2028.241198,1664.258868,0,0,30.75,33,41.75,34,20,18,9,0,0,56.11147054,56.15943233,28.04878455,24.46758312,26.79120278,6.561576,1.016064,0,0,182.0195742,217.6633782,131.775154,121.9643251,149.045537,72.9101804,31.08374443,0,0,7.034637846,7.258593333,7.0413558,7.0208045,7.164619111,6.918048,6.718464,0,0,1.346261788,1.671996207,1.130721672,1.072114494,1.299694942,0.779078607,0.444612905,0,0,162.5625382,144.3464838,160.3016055,161.7546879,150.1971931,169.0200999,184.917652,0,0,2.365384615,2.75,2.0875,2.125,2.222222222,1.5,1,0,0,0.03379252,0.006584711,-0.011167896,-0.015676729,-0.007021471,0.002549129,0.007835996,0,0,372.5107969,-45.8474827,-23.64010827,-30.08741052,-183.3899308,-64.47302254,161.1825564,0,0,692.6997337,-85.25535183,-43.95979079,-55.94882464,-341.0214073,-119.8903385,299.7258463,0,0,0.072972308,-0.008981207,-0.004630935,-0.005893917,-0.035924828,-0.012629822,0.031574556,0,0,3.096690107,-0.38113109,-0.196520718,-0.250117278,-1.52452436,-0.535965595,1.339913989,0,0,16.82126981,-2.070310131,-1.067503661,-1.358641023,-8.281240522,-2.911373621,7.278434053,0,0,4.423076923,0.378698225,-0.285502959,-1.905325444,-1.619822485,-0.390532544,1.610946746,0,0,0.002599425,5.49E-04,-5.58E-04,-9.80E-04,-7.80E-04,2.12E-04,8.71E-04,0,0,28.65467669,-3.820623558,-1.182005413,-1.880463158,-20.37665898,-5.372751879,17.90917293,0,0,53.2845949,-7.104612653,-2.197989539,-3.49680154,-37.89126748,-9.990861543,33.30287181,0,0,0.005613254,-7.48E-04,-2.32E-04,-3.68E-04,-0.003991648,-0.001052485,0.003508284,0,0,0.238206931,-0.031760924,-0.009826036,-0.01563233,-0.169391596,-0.0446638,0.148879332,0,0,1.293943832,-0.172525844,-0.053375183,-0.084915064,-0.920137836,-0.242614468,0.808714895,0,0,0.340236686,0.031558185,-0.014275148,-0.11908284,-0.179980276,-0.032544379,0.178994083,0,0,0.211095135,-0.214814768,-0.376927853,-0.300129287,0.081720939,0.334945745,0,0,-0.133333333,-0.04125,-0.065625,-0.711111111,-0.1875,0.625,0,0,-0.133333333,-0.04125,-0.065625,-0.711111111,-0.1875,0.625,0,0,-0.133333333,-0.04125,-0.065625,-0.711111111,-0.1875,0.625,0,0,-0.133333333,-0.04125,-0.065625,-0.711111111,-0.1875,0.625,0,0,-0.133333333,-0.04125,-0.065625,-0.711111111,-0.1875,0.625,0,0,0.092753623,-0.041956522,-0.35,-0.528985507,-0.095652174,0.526086957,0,0,0.762956312,1.293422575,1.708949916,1.179655915,0.397412912,0.027446215,0,0,1.3,0.975,0.975,1.733333333,0.975,0,0,0,1.3,0.975,0.975,1.733333333,0.975,0,0,0,1.3,0.975,0.975,1.733333333,0.975,0,0,0,1.3,0.975,0.975,1.733333333,0.975,0,0,0,1.3,0.975,0.975,1.733333333,0.975,0,0,0,0.904347826,1.051304348,1.568478261,1.431884058,0.67826087,0,0,0,13.44454689,6.722273447,10.84140414,13.44454689,2.688909379,6.725232671,4.44E-15,0.106177882,0.021235576,-1.12131973,12.78942251,2.557884502,1.274309231,13.44454689,6.722273447,10.84140414,13.44454689,2.688909379,6.725232671,4.44E-15,0.106177882,0.021235576,-1.12131973,12.78942251,2.557884502,1.274309231,13.44454689,6.722273447,10.84140414,13.44454689,2.688909379,6.725232671,4.44E-15,0.106177882,0.021235576,-1.12131973,12.78942251,2.557884502,1.274309231,13.44454689,6.722273447,10.84140414,13.44454689,2.688909379,6.725232671,4.44E-15,0.106177882,0.021235576,-1.12131973,12.78942251,2.557884502,1.274309231,13.44454689,6.722273447,10.84140414,13.44454689,2.688909379,6.725232671,4.44E-15,0.106177882,0.021235576,-1.12131973,12.78942251,2.557884502,1.274309231,13.44454689,6.722273447,10.84140414,13.44454689,2.688909379,6.725232671,4.44E-15,0.106177882,0.021235576,-1.12131973,12.78942251,2.557884502,1.274309231,15.24058457,7.530292286,12.43860329,15.13258457,3.026516914,7.531634385,-0.18,0.236422471,0.047284494,-0.721067472,12.07237022,2.414474045,1.245459695,0,11.89,12.11005553,-0.175990968,0.06721997,4.693077261,5.812135926,4,12,11,11,3,0,0,1,0,1,8.745656,3.459218291,2.835102784,2.115809982,1.459741922,0.083923071,0.083923071,0.083923071,0.083923071,1.773064797,1.481041878,0.948591919,0.415405172,0.083923071,0.083923071,0.083923071,0.083923071,3.475405324,2.8808782,2.179187902,1.548535214,0.270913902,0.270913902,0.270913902,0.270913902,1.717557932,1.391918201,0.838908253,0.322880549,0.270913902,0.270913902,0.270913902,0.270913902,3.554972317,3.079416084,2.444788347,1.89868416,0.943918427,0.943918427,0.943918427,0.943918427,1.57256383,1.118307432,0.495138325,0.039903959,0.943918427,0.943918427,0.943918427,0.943918427,3.487767652,2.91449341,2.225224325,1.611940854,0.399277246,0.399277246,0.399277246,0.399277246,1.683740426,1.334135451,0.76739422,0.256324407,0.399277246,0.399277246,0.399277246,0.399277246,3.598901869,3.173772756,2.566144883,2.043454752,1.207644823,1.207644823,1.207644823,1.207644823,1.533475085,1.029656016,0.379615206,0.183406516,1.207644823,1.207644823,1.207644823,1.207644823,3.549804763,2.888506828,2.269470537,1.612834447,0.476190476,0.476190476,0.476190476,0.476190476,1.692170265,1.312030745,0.730004884,0.157839254,0.476190476,0.476190476,0.476190476,0.476190476,0,2,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,3.707106781,1.810660172,0.780330086,0.353553391,0.176776695,0,0,0,0.741421356,0.452665043,0.260110029,0.176776695,0.176776695,0,0,0,7.167311215,12.55134741,11.90196078,12.04,8.194217964,98.85571497,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,1.49929,23.096,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.628472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.667361111,0.761111111,0,0,0,0,0,0,0,0,0,0,3.888888889,0,0.982638889,0,0,0,0,0,5.628472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.767361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.286805556,0.380555556,0,0,0,0,0,0,0,0,0,0,1.850694444,0,0.982638889,0,0,0,0,0,2.767361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.861111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380555556,0.380555556,0,0,0,0,0,0,0,0,0,0,2.038194444,0,0.982638889,0,0,0,0,0,2.861111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.5,2.1,0.380555556,2.861111111,0.263888889,0.982638889,2.857190972,0.517361111,0.361111111,1.333333333,0.517361111,0.361111111,1.333333333,2.5,0.5,0,0,0.45385,0.7,0.41765,0.41765,0.7,0.0362,0.0362,0,0,0.71429,0,0,0.4,0,0,4,0.8,2,0.4,2,0.4,0,0,0,0,2.74508,0.54902,4.09272,1.34764,0.26953,1.57071,0.31414,2.41421,0.84351,0.1687,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4,0,0,0,0,0,0,1,0.961236605,1.700439718,2.81507241,2.449311833,1.569636663,1.807278629,12.49607586,22.10571634,36.59594133,31.84105383,20.40527662,23.49462218,0.259762806,0.459523691,0.760739973,0.661897509,0.424175715,0.488395641,2.739203113,2,0.885367308,1.251127885,2.130803055,1.893161089,0.252468347,0.446619701,0.73937746,0.643310614,0.41226434,0.474680892,6.796774065,15.66721143,18.48167,14.09254307,14.09757476,6.388144622,19.35422196,13.55743155,12.2995031,15.96318424,10.27989963,8.745454002,5,4,4,5,2,5,2.01,0.7271,0.25,3.301927249,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.113,0.096,0.161,0.08,1.603,3,2,1,0,0,0,0,0,0,15,1.945910149,2.079441542,1.945910149,1.386294361,0,0,0,0,0,0,3.33220451,1.8,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,0,89.76346443,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,68.06260026,5.235584635,8.849873734,1.769974747,0,0,0,20,2,2.08,14,1.214916667,2.096998611,3.036428257,4.400185282,5.162407755,5.58892388,0,0,0,0,77.20836652,69.88926519,88.77551591,124.8711668,34.31357611,5.678704353,0,0,0,0,285.4227708,307.6510362,411.7459844,672.1479777,379.7110756,173.7246815,0,0,0,0,8.847318636,14.8354774,21.41221786,31.5480023,35.72962195,37.54898388,0,0,0,0,2.14516717,2.561353791,3.508290626,5.807446321,4.048461835,2.484907681,0,0,0,0,173.5800946,331.1532283,484.390267,659.5039515,871.289178,1033.490681,0,0,0,0,3.475125,4.660075578,6.756164821,9.756496789,7.783287435,5.58892388,0,0,0,0,0.444095625,0.541183525,0.744308675,1.230762903,0.889263598,0.572305805,0,0,0,0,360.7672467,96.14142667,9.324270677,146.9280996,-39.15509859,-10.10100026,213.8391471,135.2965253,19.42527094,0.7105979,0.189368343,0.018365878,0.2894021,-0.077123217,-0.019895791,183.1598523,48.81055491,4.733888831,74.59471243,-19.87886134,-5.128230827,0.149005065,0.398460084,4.21926047,8.696536409,507.6953464,0,1,0,293.388975,17.12860108,6.644790048,370.8852637,19.25838165,7.184775338,383.7152405,19.58865081,7.266685252,1.912549312,1.890885427,255.6870608,240.3843354,25.37365551,1.063659412,10.07687129,9.473776265,3.272140593,3.21244681,6.284680948,0.95635331,2.242375809,2.776752171,2.331148849,1.093625956,1.77862126,1.00108217,0.112988,1.0404788,3.528878171,2.684498382,1.969689795,0.019388363,1.20E-22,1.43E-64,3.29E-128,1.46E-213,1.252E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,0.198420908,2.776588493,0.168051306,0.827146044,0.03527986,0.9997037,0.100318787,0.086970451,0.30937486,0.224318744,0.013872691,1.37E-04,8.45E-25,1.01E-66,2.32E-130,1.03E-215,8.9E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0.615635679,2.776599745,0.560667207,0.880720238,0.188865478,0.999985075,0.102801831,0.280971533,0.64207308,0.724769125,0.1445641,0.001422996,8.80E-24,1.05E-65,2.42E-129,1.07E-214,9.2E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,2.117246355,2.776734312,2.18141985,1.077022144,1.600339597,1.000997781,0.112175957,0.981882723,3.216995379,2.533277795,1.75495815,0.017274682,1.07E-22,1.28E-64,2.93E-128,1.30E-213,1.1156E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,0.90204054,2.776614049,0.844710607,0.917740729,0.354354606,1.00017823,0.104536949,0.414334343,0.966802148,1.068824732,0.31401253,0.003090938,1.91E-23,2.28E-65,5.25E-129,2.33E-214,1.996E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,2.705673858,2.776827195,2.905177282,1.155431784,2.519963966,1.001394624,0.116036006,1.257686875,4.81397191,3.245092936,2.872607435,0.028276105,1.75E-22,2.09E-64,4.80E-128,2.13E-213,1.826E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,0.964473795,2.45896862,1.120790748,1.062939011,0.503685479,1.134160763,0.075043243,0.401540348,1.157844214,1.214590892,0.446641692,0.004396454,2.72E-23,3.25E-65,7.47E-129,3.32E-214,2.836E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,5.077682213,0.696283439,0.384336023,0.824526384,0.113064198,0.686233805,0.478944695,0.4615227,6.158301675,5.75464903,13.27177303,0.736789576,1.626701201,3.471927272,0.308203003,0.073934427,0.900848206,0.0799683,0.320518568,0.091453943,0.017079074,3.854064703,1.349540179,5.282719038,0.851272309,0.429051585,4.066312717,0.452001773,0.188855429,0.863855095,0.096024104,0.439828816,0.199061988,0.111437107,4.707169918,2.691288777,7.745571301,0.795782642,0.750327911,5.033252109,0.685559636,0.375749627,0.825859615,0.112487117,0.674260968,0.46407865,0.441131427,6.094561371,5.599435861,12.99055682,0.738789423,1.579471045,4.348772329,0.520267422,0.243456567,0.850616227,0.101763872,0.503143957,0.264925965,0.185188438,5.112496317,3.44792427,9.111247051,0.775924341,0.95325836,5.218516888,0.730272044,0.411552626,0.82047746,0.114816482,0.724882679,0.527631189,0.529202195,6.360341558,6.2591767,14.18791938,0.73071619,1.781716062,5.018059704,0.682431833,0.37425087,0.826053085,0.112339222,0.670149322,0.459179327,0.437619353,6.074742407,5.557897598,12.914256,0.739079627,1.566948002 +UMLYSI0185,L,sec-butyl ether,CCC(C)OC(C)CC,saturated ethers,C8H18O,6863-58-7,23294,PubChem,,54,0,-0.6257,0.39150049,37.8329,26.884274,0,0,27,9,18,0,8,0,1,0,0,0,0,0,0,0,1428.370121,1467.840288,1827.025553,1675.677792,1296.436182,944.50474,442.118041,103.124448,9.144576,4164.033391,5211.819509,6681.380993,6945.271426,6606.926364,5777.037709,3911.318539,1620.932031,279.7536999,194.608196,193.42824,361.662116,450.181392,414.779352,417.572752,372.400804,244.259712,60.466176,30.95743629,39.45587758,53.32104008,56.81212997,57.34180517,54.78400202,41.06987487,20.01965301,4.001516144,4528.323871,3823.658652,7881.501921,10049.93486,9366.493426,9972.303017,9227.937619,6466.264847,1664.258868,54.30555556,57.33333333,95.94444444,120,101.9166667,89,76,42,9,52.90259707,56.45539569,37.28623578,27.9279632,22.74449442,15.74174567,8.18737113,2.864568,1.016064,154.2234589,200.4545965,136.3547141,115.7545238,115.9109888,96.28396182,72.4318248,45.02588975,31.08374443,7.207710963,7.439547692,7.38085951,7.5030232,7.276830737,6.959545867,6.896311185,6.784992,6.718464,1.146571714,1.517533753,1.088184491,0.946868833,1.005996582,0.9130667,0.760553238,0.556101472,0.444612905,167.7156989,147.0637943,160.846978,167.4989143,164.3244461,166.2050503,170.8877337,179.618468,184.917652,2.011316872,2.205128205,1.958049887,2,1.788011696,1.483333333,1.407407407,1.166666667,1,0.176843491,-0.056808493,0.009088968,-0.03453541,-0.041818801,0.017042903,0.003899109,0.009910031,0.004799949,800.2177743,-22.99775273,39.97236872,-183.9812292,-382.2891058,-153.6116269,-100.385718,272.1707172,131.0134596,1266.51806,-164.438229,-194.5316132,33.13851516,-334.5603437,-310.3811826,-261.7153993,393.2463867,205.982836,1.122666963,0.057919517,0.087901289,-0.62511977,-0.48482507,0.056951638,0.099502963,0.181367605,0.064968346,5.603020215,-1.099761892,-1.716488945,0.991280407,-0.521766356,-1.40889383,-1.337630067,1.469532242,0.822218332,30.80423065,-6.590658804,-10.78806699,6.5928315,-1.306236116,-7.648391973,-7.505250087,7.533172052,4.310485098,8.502057613,-2.32296906,2.36766499,-2.239140375,-4.572245085,0.625057156,-0.411522634,1.478737997,0.823388203,0.006549759,-0.002184942,1.85E-04,-5.76E-04,-7.34E-04,2.84E-04,7.22E-05,2.75E-04,5.33E-04,29.63769534,-0.884528951,0.815762627,-3.06635382,-6.706826417,-2.560193781,-1.858994778,7.560297699,14.55705106,46.90807629,-6.324547268,-3.970032923,0.552308586,-5.869479713,-5.173019709,-4.846581468,10.92351074,22.88698177,0.041580258,0.002227674,0.001793904,-0.010418663,-0.008505703,9.49E-04,0.001842647,0.005037989,0.007218705,0.207519267,-0.042298534,-0.035030387,0.01652134,-0.009153796,-0.023481564,-0.024770927,0.04082034,0.091357592,1.140897431,-0.253486877,-0.220164633,0.109880525,-0.022916423,-0.1274732,-0.138986113,0.209254779,0.478942789,0.314891023,-0.089344964,0.048319694,-0.037319006,-0.080214826,0.010417619,-0.00762079,0.041076055,0.091487578,-0.333591215,0.028319995,-0.087879596,-0.112013769,0.043367761,0.011024179,0.04202882,0.081427063,-0.029844728,0.027524496,-0.103461277,-0.22629379,-0.086383025,-0.062723999,0.255090607,0.491166769,-0.134828536,-0.084634315,0.011774275,-0.125127274,-0.110279937,-0.103320832,0.232870576,0.487911328,0.053575275,0.043143164,-0.250567537,-0.204561093,0.022827996,0.044315441,0.121163006,0.173608954,-0.203829432,-0.168805466,0.079613524,-0.044110582,-0.113153656,-0.119366879,0.196706265,0.440236676,-0.222182004,-0.192974957,0.096310608,-0.020086313,-0.111730639,-0.121821742,0.183412438,0.419794782,-0.283732966,0.15344894,-0.118514037,-0.254738371,0.033083253,-0.024201355,0.130445305,0.29053727,1.37792265,1.445523692,2.358847701,1.417898334,0.15403675,0.174971716,0.091711262,0,1.381496713,1.133431062,1.272686481,1.281433131,0.917834051,0.801283695,0.327797875,0,1.626976717,1.195640481,0.924805037,1.144205597,1.078368338,0.941432676,0.385131549,0,0.924502131,1.44690926,2.586429602,1.499997104,0.128156498,0.111882657,0.045770178,0,1.75106321,1.288145393,0.843699316,1.06959019,1.089705271,0.951329998,0.389180454,0,1.77771683,1.321547852,0.847275874,1.052399574,1.076668246,0.939948469,0.384524374,0,1.414690223,1.107775056,1.945280736,1.461978397,0.399249758,0.495522749,0.254840271,0,41.60638475,20.92819237,30.64841956,41.80082919,4.644536577,20.92819238,0.25,5.00E-16,5.55E-17,-31.70945086,2000020.237,222224.4708,13.05780107,41.61966157,20.93446358,30.66000329,41.8135348,4.645948311,20.93446358,0.249265579,3.33E-16,3.70E-17,-32.07436945,2000020.232,222224.4702,13.05780107,53.40796809,26.50448681,41.11656875,53.09763905,5.899737672,26.50448681,-0.398994478,2.78E-16,3.08E-17,-32.23845885,2000018.211,222224.2456,13.05780016,41.63359591,20.94104535,30.67216148,41.82686964,4.64742996,20.94104536,0.2484948,3.89E-16,4.32E-17,-31.93563384,2000020.227,222224.4696,13.05780107,65.93433319,32.42601946,52.37390482,65.09254876,7.232505418,32.42601946,-1.082294264,1.67E-16,1.85E-17,-32.69820192,2000017.652,222224.1835,13.05779991,42.99711374,21.58512396,31.86548245,43.13177366,4.792419296,21.58512397,0.173134186,2.22E-16,2.47E-17,-32.43928805,2000019.778,222224.4197,13.05780086,46.02828947,23.14162489,33.47337513,46.22659194,5.136287993,23.14162489,0.254960317,3.33E-16,3.70E-17,-32.07436945,2000023.352,222224.8169,13.05780247,0,11.89,15.99491664,-0.374786684,0.06545117,5.275315794,7.641949495,8,26,26,26,8,0,0,0,0,0,21.593726,3.535323476,3.252053785,2.748536857,2.649358651,2.088335043,1.815788866,1.55834397,1.067670898,1.854462584,1.75064974,1.442160246,1.411751091,0.933245697,0.878433189,0.550131687,0.408345897,3.489411733,3.285871427,2.775446902,2.705847483,2.060409759,1.901164963,1.543873883,1.182745677,1.830896753,1.678803249,1.354662958,1.311044295,0.84133699,0.748403078,0.469376739,0.253723321,3.657045256,3.434837223,3.016160812,2.946681353,2.423990597,2.253119972,1.986875629,1.64278214,1.621933545,1.464530693,1.042313538,0.993013965,0.418272804,0.318499262,0.033899905,0.274296938,3.490096297,3.310815916,2.807626761,2.747112713,2.091395118,1.962890997,1.57373585,1.265122108,1.817095635,1.632755849,1.297783572,1.245016381,0.78512168,0.661671754,0.412038116,0.149388769,3.695986761,3.507198953,3.115869994,3.058601618,2.540079247,2.409790775,2.124203607,1.840246113,1.578706106,1.397105886,0.945451828,0.886989437,0.294430365,0.167781236,0.174188863,0.466618391,3.668486646,3.33410402,2.988521587,2.88523166,2.481497618,2.056027894,1.879764541,1.336369908,1.720305618,1.594713582,1.134843488,1.096883165,0.586228252,0.538662745,0.179547778,0.040010576,0,0,0,0,0,4,4,0,0,0,0,0,0,0,0,0,0,0,0,0.577350269,0,0,0,0.333333333,0,0,0,0.910683603,0.902368927,0.922588984,0.525783423,0.520982943,0.532656998,7.276020882,4.201907263,3.262542272,2.198584704,1.020220057,0.569035594,0.11785113,0,0.808446765,0.525238408,0.362504697,0.274823088,0.170036676,0.142258898,0.11785113,0,6.977162391,3.856815202,2.573813779,1.614445531,0.589024325,0.328532853,0.068041382,0,0.775240266,0.4821019,0.285979309,0.201805691,0.098170721,0.082133213,0.068041382,0,13.59124934,26.32119446,24.87843137,25.24,15.66722994,208.6661222,0.503379605,0.974859054,0.921423384,0.934814815,0.580267776,7.728374895,2.6,40.591,23.068725,34.63549724,46.13745001,5.126383334,23.06872501,2.22E-16,2.47E-17,-32.43928805,2000019.058,222224.3397,13.05780054,72,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.548611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.669444444,0,0,0,0,0,0,0,0,0,0,0,8.526203704,0,2.230833333,0,0,0,0.861018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.548611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.548611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,2.117222222,0,1.115416667,0,0,0,0.430509259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.548611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.548611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.14587963,0,1.115416667,0,0,0,0.430509259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.548611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.16666667,1.907407407,0.45,5.548611111,-0.069444444,0.430509259,5.124514537,0.902824074,2.048611111,5.14962963,0.902824074,2.048611111,5.14962963,4.33333,0.48148,0,0.01852,0.46173,0.78519,0.42414,0.46173,0.78519,0.03759,0,-0.03759,0,0.61321,0.10108,0,0.46154,0.23077,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,9.36691,1.04077,10.52199,1.15508,0.12834,3.74312,0.4159,4.20189,0.45877,0.05097,0.21211,0.02357,0.21211,0.02357,0,8.01,1,1,1,1,0,0,1,1.086048612,1.530493057,2.494904169,2.939348613,2.939348613,2.61509352,29.32331253,41.32331253,67.36241255,79.36241255,79.36241255,70.60752505,0.228406794,0.321877869,0.524703091,0.618174165,0.618174165,0.549980103,3.66883889,3.224394445,2.259983334,1.815538889,1.815538889,2.139793982,0.231052556,0.325606358,0.530781016,0.625334817,0.625334817,0.556350826,9.449442117,14.78277545,17.38320348,17.83112571,17.83112571,13.23653239,33.3868056,24.89891669,23.18797224,22.7348389,22.7348389,24.44578335,9,4.839506173,4.5,9,0,4,2.23,1.2945,1.432470291,3.181082915,3.614408014,0,0.25,2.309401077,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.332,0.33,0.234,0.024,3.67,9,8,6,4,1,0,0,0,0,45,2.197224577,2.302585093,2.197224577,1.945910149,1.609437912,0.693147181,0,0,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.5,8,1,0,3,6,1,2.5,0.888888889,0.5,0.24,0.055555556,0,0,0,0,0,0.3125,0.098765432,0.0625,0.04,0.013888889,0,0,0,0,0,0.527654321,23.068725,34.63549724,46.13745001,5.126383334,23.06872501,2.22E-16,2.47E-17,-32.43928805,2000019.058,222224.3397,13.05780054,9.23,155.7145624,4.169925001,3.555348061,4.234106505,4.976733742,5.680172609,6.428105273,7.136483209,7.885705391,8.59507973,9.344608993,74.83634351,2.833213344,0,3.970291914,0,5.283203729,0,6.66057515,0,8.069968149,8.354674262,130.1357652,4.819843155,16.48648897,1.831832108,2.856936695,2.856936695,0,100,8,2.502,34,1.229846154,2.107371967,2.85647963,3.507257913,4.023904184,4.846848189,6.173505338,7.922010606,0,0,80.75641399,87.96277038,88.3920463,88.60868893,78.12839957,49.8825629,20.28380034,8.049269784,0,0,269.9070902,309.0067549,348.3137472,427.7633657,432.1050076,397.6980293,297.5730771,246.2457531,0,0,9.216726363,15.66020371,21.50884909,25.73230991,28.11561507,33.60162574,41.9807363,53.22374306,0,0,1.982662472,2.411535746,2.797395165,3.628922718,3.954149378,4.024222167,3.589871125,3.522228148,0,0,179.08764,335.4528181,475.4782471,575.0415609,660.6608655,814.5517315,1101.423835,1464.919601,0,0,2.799846154,4.308848807,5.886149396,6.44796637,6.156187847,7.216470584,7.436790298,7.922010606,0,0,0.4343925,0.558097924,0.662303322,0.812069171,0.849321106,0.877864556,0.805994957,0.811213886,0,0,398.3452109,253.9578062,11.47363053,156.4278504,-99.72775529,-11.40100528,241.9173605,353.6855615,22.87463581,0.718032721,0.457768814,0.020681665,0.281967279,-0.179763154,-0.020550755,220.9911921,140.8889496,6.365261132,86.78195743,-55.3262721,-6.3249706,0.093605432,0.587838415,1.472298898,7.432990977,542.1284454,12.64461591,0.977207588,0.022792412,567.8492127,23.82958692,8.28090259,742.2158622,27.24363893,9.054060883,1039.072757,32.23465149,10.1285821,2.027339186,2.027339186,731.2749569,654.6289665,120.1662698,1.117083102,6.085525982,5.447693165,4.317489731,4.338526665,8.600791147,0.982422101,5.020215628,6.722333626,6.766664327,19.48975243,12.92269993,8.762306673,11.19851992,12.23705727,9.558245387,5.372684913,6.892933874,0.977347929,4.269743446,0.214813565,0.763177555,1.521487749,2.40E-07,1.53E-35,1.89E-85,4.48E-157,2.05E-250,0,0,0,0,0,0,0,0,0,0.421312149,6.732788993,0.46087081,5.759450142,2.264886997,1.182096757,2.024766026,0.51095717,1.480300922,0.242355326,2.060447782,0.035086443,0.189977928,0.002025066,0.064042037,0.010715963,1.69E-09,1.08E-37,1.33E-87,3.16E-159,1.45E-252,0,0,0,0,0,0,0,0,0,1.360046289,6.310013447,1.162038937,7.281686968,3.357891697,2.169181637,3.470629349,1.920588723,2.375964386,0.919763436,2.781796898,0.144190516,0.713853742,0.016244515,0.206739565,0.111668593,1.76E-08,1.12E-36,1.38E-86,3.29E-158,1.51E-251,0,0,0,0,0,0,0,0,0,4.738674112,6.960514029,6.557238943,18.95799032,12.30348375,8.117391168,10.49793134,11.27303729,8.797256115,4.927786279,6.503321562,0.890218779,3.910707613,0.191451428,0.720373111,1.355618193,2.14E-07,1.36E-35,1.68E-85,3.99E-157,1.83E-250,0,0,0,0,0,0,0,0,0,2.004457883,6.164594416,1.720022015,8.6231914,4.324094366,3.013982088,4.586870543,3.154560536,3.214455058,1.494584597,3.355683536,0.243800222,1.165194288,0.034680324,0.304700192,0.242559105,3.82E-08,2.44E-36,3.01E-86,7.14E-158,3.27E-251,0,0,0,0,0,0,0,0,0,6.062637414,6.937930444,9.29773912,24.43079827,17.29832618,11.41692628,14.01107431,16.60521138,12.6783952,7.168484599,8.441962799,1.333380064,5.72316567,0.313048085,0.921667539,2.218946891,3.50E-07,2.23E-35,2.75E-85,6.53E-157,2.99E-250,0,0,0,0,0,0,0,0,0,3.121832026,6.389523359,3.783909337,13.22906217,8.020803416,4.424740133,6.520141195,5.488339571,5.122187035,2.332378173,4.335387223,0.397996321,2.154087374,0.074137805,0.52298295,0.52134262,8.22E-08,5.25E-36,6.46E-86,1.54E-157,7.03E-251,0,0,0,0,0,0,0,0,0,6.269263405,1.23053224,0.572176958,0.776670551,0.152445047,0.517237674,0.501246569,0.447364099,8.071972603,12.005741,24.49179033,0.665005826,1.465848342,4.863309725,0.785375434,0.168111992,0.836080337,0.135018536,0.311258245,0.203325774,0.03971621,5.816797152,4.769135704,11.22804064,0.754120506,0.554300229,5.630036227,0.961831601,0.336224749,0.812638712,0.138830651,0.417137687,0.305562461,0.156228911,6.928092577,7.631495865,16.3802948,0.718958068,0.878929059,6.159890638,1.214841733,0.556378157,0.776674416,0.153174228,0.499347772,0.488159929,0.424597461,7.931110528,11.58643222,23.68108308,0.665011624,1.412105162,5.926319074,1.045142269,0.412388662,0.802605561,0.141544353,0.462197009,0.361306252,0.233260532,7.383850005,9.068798178,19.00692028,0.703908341,1.056763793,6.323254259,1.262618103,0.599674215,0.772490169,0.1542497,0.52618494,0.527772642,0.491198932,8.185546577,12.53290735,25.50616609,0.658735254,1.545156514,6.223460578,1.21964385,0.560573498,0.777575089,0.152385423,0.509707473,0.492276395,0.429972283,8.003677927,11.76281251,24.02147056,0.666362634,1.431956151 +UMLYSI0186,L,3-methyl-2-pentene,CCC(=CC)C,alkenes,C6H12,922-61-2,12014,PubChem,,53.7,0,1.6606,2.75759236,30.6836,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,913.087565,804.128644,409.689673,100.076256,9.144576,0,0,2914.106344,3494.423905,4149.471199,4039.080402,3174.907034,1527.680798,279.7536999,0,0,125.864664,123.114164,211.6517,218.745616,230.913892,224.10432,60.466176,0,0,22.06875486,27.30703172,35.0937937,35.20091372,31.06407246,18.68581429,4.001516144,0,0,2979.777961,2471.442353,4779.986516,4927.642151,5376.46203,5911.511891,1664.258868,0,0,33.02777778,39.16666667,53.16666667,56,55.5,39,9,0,0,48.76541633,50.97680359,30.43625217,25.93963368,12.41483858,3.032613818,1.016064,0,0,161.8947969,205.5543474,138.3157066,130.2929162,96.20930407,46.29335751,31.08374443,0,0,6.992481333,7.242009647,7.055056667,7.056310194,6.997390667,6.79104,6.718464,0,0,1.226041937,1.606295984,1.169793123,1.135513346,0.941335529,0.566236797,0.444612905,0,0,165.54322,145.3789619,159.3328839,158.9561984,162.9230918,179.136724,184.917652,0,0,1.834876543,2.303921569,1.772222222,1.806451613,1.681818182,1.181818182,1,0,0,0.034021616,2.45E-04,-0.007674848,-0.013650479,-0.01479181,0.013167381,0.005693895,0,0,484.264036,-53.80711511,2.10E-13,-147.9695666,-363.198027,201.7766817,121.066009,0,0,900.5096538,-100.0566282,1.35E-13,-275.1557275,-675.3822403,375.2123557,225.1274134,0,0,0.094864,-0.010540444,5.61E-16,-0.028986222,-0.071148,0.039526667,0.023716,0,0,4.025697139,-0.447299682,1.11E-15,-1.230074126,-3.019272855,1.677373808,1.006424285,0,0,21.86765075,-2.429738973,2.40E-14,-6.681782175,-16.40073807,9.111521147,5.466912688,0,0,3.211419753,-0.886402606,0.112139918,-0.117198217,-2.452417695,0.996656379,0.741512346,0,0,0.00189009,1.44E-05,-2.56E-04,-4.40E-04,-4.48E-04,3.99E-04,6.33E-04,0,0,26.90355756,-3.165124418,6.99E-15,-4.773211824,-11.00600082,6.114444899,13.45177878,0,0,50.0283141,-5.885684011,4.50E-15,-8.875991211,-20.46612849,11.37007139,25.01415705,0,0,0.005270222,-6.20E-04,1.87E-17,-9.35E-04,-0.002156,0.001197778,0.002635111,0,0,0.223649841,-0.026311746,3.70E-17,-0.039679811,-0.091493117,0.050829509,0.111824921,0,0,1.214869486,-0.142925822,7.99E-16,-0.21554136,-0.496992063,0.276106701,0.607434743,0,0,0.178412209,-0.05214133,0.003737997,-0.003780588,-0.074315688,0.030201708,0.082390261,0,0,0.007626523,-0.135352432,-0.23297202,-0.237150982,0.211107196,0.334722178,0,0,-0.117647059,2.60E-16,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.117647059,9.00E-17,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.117647059,3.55E-15,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.117647059,1.65E-16,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.117647059,6.58E-16,-0.177419355,-0.409090909,0.227272727,0.5,0,0,-0.292252028,0.020951466,-0.021190185,-0.416539251,0.169280503,0.461797213,0,0,1.296598248,1.313658388,1.422936665,1.11930576,0.317143651,0.003801213,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.5,1.0625,1.233870968,1.352272727,0.386363636,0,0,0,1.712638155,0.894521864,1.017454388,1.503866148,0.481237167,0,0,0,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,18.87543794,9.437718972,13.90796238,18.87543794,3.145906324,9.43792154,-7.11E-15,0.111454258,0.01857571,-1.316484609,20.12209817,3.353683029,1.801091174,21.39334399,10.65685718,16.22976098,21.34025757,3.556709594,10.65691428,-0.07962963,0.200050037,0.033341673,-0.965512657,16.1013119,2.683551983,1.667340452,0,11.89,12.11007471,-0.179299839,0.044676237,5.374547771,7.685503879,5,17,16,16,4,1,1,0,0,1,13.118484,3.540555378,2.865081898,2.54719039,1.886949926,1.505228104,0.344109736,0.083923071,0.083923071,1.875841698,1.524168067,1.355045439,0.886289331,0.628155545,0.083923071,0.083923071,0.083923071,3.560860944,2.912206141,2.607820635,1.965600326,1.598567031,0.471800875,0.270913902,0.270913902,1.822394366,1.434128227,1.249691962,0.761335285,0.494736601,0.270913902,0.270913902,0.270913902,3.654148109,3.115970063,2.865056506,2.292469171,1.977444195,0.958553255,0.943918427,0.943918427,1.673556754,1.155751879,0.914278472,0.35373006,0.046732001,0.943918427,0.943918427,0.943918427,3.576033742,2.946779797,2.652048431,2.022602679,1.665721835,0.561964105,0.399277246,0.399277246,1.789077632,1.375576207,1.180401024,0.678418554,0.405290945,0.399277246,0.399277246,0.399277246,3.701951025,3.212402365,2.98380042,2.439582945,2.142927699,1.207644823,1.207644823,1.207644823,1.629890309,1.06500317,0.801509977,0.212776649,0.113509522,1.153230243,1.207644823,1.207644823,3.573923729,2.996587406,2.741671856,2.090246595,1.72662782,0.63283836,0.537313433,0.537313433,1.782690817,1.303003175,1.077246187,0.600742919,0.311645504,0.537313433,0.537313433,0.537313433,0,0,0,1,1,3,1,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.204124145,0,0,0,0.577350269,0.288675135,0,0.40824829,0.204124145,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.78445705,2.426685576,1.488581196,1.050476816,0.204124145,0,0,0,0.797409508,0.485337115,0.297716239,0.262619204,0.204124145,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.51E-16,4.19E-17,-21.5515951,3000004.229,500000.7049,8.948474554,29,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,2,3,0,1,0,0,0,0,0,0,0,0,3,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.606481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.533680556,0.870833333,0,0.316319444,0,0,0,0,0,0,0,0,6.369212963,0,1.190972222,0,2.138888889,0,0,0,0,1.467592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.467592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.243402778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.068287037,0,1.190972222,0,2.138888889,0,0,0,0,1.467592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.138888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.316319444,0,0,0.290277778,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.162037037,0,1.190972222,0,2.138888889,0,0,0,0,1.467592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.16666667,1.861111111,0.316319444,2.162037037,0.069444444,1.190972222,3.717506944,0.309027778,0.162037037,1.016203704,0.309027778,0.162037037,1.016203704,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.74073,0.79012,5.73058,0.98984,0.16497,2.19415,0.36569,2.80805,0.6139,0.10232,0.10595,0.01766,0.10595,0.01766,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.94471679,2.932999307,3.26633264,3.03467014,2.075522223,16.52932501,35.00490222,52.79398752,58.79398752,54.62406252,37.35940001,0.220218789,0.46636733,0.703369798,0.783307287,0.727751731,0.497736104,3.251629167,2.225208211,1.236925695,0.903592361,1.135254862,2.094402779,0.220218789,0.46636733,0.703369798,0.783307287,0.727751731,0.497736104,6.73287657,16.01742989,18.23479853,18.5707402,15.7907902,5.963359945,23.69925001,14.79422358,13.73834653,13.15338403,11.76340903,9.39649167,6,3.2,3,6,2,5,2.12,0.911,0.908560296,3.301927249,1.889881575,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,2.685,5,4,1,0,0,0,0,0,0,21,1.945910149,2.197224577,2.079441542,1.098612289,0,0,0,0,0,0,3.401197382,1.380952381,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.51E-16,4.19E-17,-21.5515951,3000004.229,500000.7049,8.948474554,0,109.6959078,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,84.09390038,4.671883355,10.6758508,1.779308466,0,0,0,31,4,2.836,20,1.207894101,2.088943546,3.00730049,3.813720299,4.474607581,3.374767806,0,0,0,0,72.21484176,75.08609873,88.46624736,46.22255032,11.07607169,3.428980076,0,0,0,0,273.1484823,322.0976473,421.9102844,374.522628,188.3362532,104.90042,0,0,0,0,8.781628078,14.81398624,21.28946908,26.74695301,30.29749088,22.67325601,0,0,0,0,2.075122116,2.646958438,3.59906503,3.669382074,2.383286177,1.500465317,0,0,0,0,173.4826483,327.3274966,473.0527936,616.3232295,808.7152949,624.0541388,0,0,0,0,2.88694774,3.904979384,5.645208005,6.548983115,5.063334466,3.374767806,0,0,0,0,0.430432096,0.55791459,0.763086121,0.794488895,0.539208636,0.345576223,0,0,0,0,264.8009178,93.20973852,7.693993292,54.97224275,-19.35019114,-3.185928976,209.828675,112.5599297,10.87992227,0.828089879,0.29148706,0.024060785,0.171910121,-0.060512243,-0.009963091,84.67622639,29.80597268,2.460332552,17.57864781,-6.187671778,-1.018774578,0.161583694,0.250377291,3.18493499,2.692917633,319.7731605,0,1,0,330.2335045,18.17232799,6.91205276,450.5915348,21.22714146,7.666450622,503.2961974,22.43426392,7.954408364,1.106579753,1.008514813,281.3783552,160.453482,133.7560424,1.753644431,2.103668366,1.199598008,3.688896958,3.531232863,5.403319826,0.530151093,4.980045186,4.00172049,4.091308151,12.06456009,6.801032747,2.590998403,7.363304821,7.917924538,4.108496988,1.190322769,7.05E-16,1.16E-52,3.78E-111,2.37E-191,2.87E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.417946006,3.984280619,0.185072657,3.133621908,1.828356061,0.204383527,1.664721729,0.312755597,0.029470896,0.008383541,4.97E-18,8.18E-55,2.66E-113,1.67E-193,2.02E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.349167709,3.985446092,0.701733935,3.88749826,2.549789164,0.631743874,2.6257114,1.241385324,0.302913452,0.087362957,5.18E-17,8.52E-54,2.77E-112,1.74E-192,2.11E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.700756743,3.999805783,3.752874277,11.13959574,6.392744425,2.423736776,6.942905518,7.231680381,3.660964826,1.060556157,6.28E-16,1.03E-52,3.36E-111,2.11E-191,2.56E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.988422215,3.986957092,1.139746793,4.722454165,3.132205168,0.942868805,3.345441797,2.064064032,0.65665342,0.189764016,1.12E-16,1.85E-53,6.02E-112,3.78E-192,4.58E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.01412458,4.009771554,5.457120669,15.91872573,8.430671101,3.23431258,9.001078118,10.70932195,5.990113618,1.73597389,1.03E-15,1.69E-52,5.51E-111,3.46E-191,4.19E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.763095434,3.707292104,1.642357829,5.789978766,4.04956439,1.151856233,4.298526944,3.251015292,1.188153482,0.343652998,2.04E-16,3.35E-53,1.09E-111,6.85E-192,8.30E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.799266206,2.182673445,0.353654012,0.524640065,0.409077899,0.577177346,0.583722257,0.444309356,5.335593663,7.871766958,15.36814561,0.400576946,1.605208959,1.837453088,1.516673333,0.076242228,0.535643039,0.442131295,0.248275641,0.281176979,0.020649971,3.43036865,3.042542173,6.685383892,0.466661501,0.550102591,2.219409616,1.781231383,0.186421184,0.530063686,0.425413167,0.362553796,0.388384564,0.123457877,4.187062184,4.699086294,9.623124001,0.43321528,0.874396238,2.775451201,2.166188381,0.346786078,0.524816151,0.409609309,0.567385699,0.574923734,0.427220012,5.28842566,7.725841951,15.09919758,0.401638191,1.569529445,2.389687065,1.899132092,0.23553248,0.528183319,0.419757845,0.420434036,0.441662947,0.197074253,4.524351637,5.548487606,11.14176369,0.421911746,1.059171236,2.873825158,2.23428325,0.37515568,0.524108471,0.407473216,0.60837377,0.61169845,0.499978504,5.483264088,8.337275296,16.22939127,0.39737253,1.720050724,2.778906454,2.166669261,0.346562631,0.525100871,0.409412816,0.568755655,0.575128428,0.426669644,5.292138346,7.734922925,15.11370489,0.40177053,1.570553727 +UMLYSI0187,L,2-methyl-2-pentene,CCC=C(C)C,alkenes,C6H12,625-27-4,12243,PubChem,,53.6,0,1.3195,1.74108025,28.913,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,913.087565,683.062635,464.209538,157.477824,18.289152,0,0,2914.106344,3494.423905,4149.471199,3813.952988,2898.117216,1749.84433,559.5073998,0,0,125.864664,123.114164,211.6517,218.7219,228.5426,166.033152,120.932352,0,0,22.06875486,27.30703172,35.0937937,34.19448944,28.05690832,18.69788658,8.003032287,0,0,2979.777961,2471.442353,4779.986516,4922.175239,5572.699569,4056.482397,3328.517736,0,0,33.02777778,39,54.16666667,56.66666667,48,36,18,0,0,48.76541633,50.97680359,30.43625217,22.03427855,14.0669557,6.561576,1.016064,0,0,161.8947969,205.5543474,138.3157066,123.0307416,87.82173382,72.9101804,31.08374443,0,0,6.992481333,7.242009647,7.055056667,7.055545161,6.925533333,6.918048,6.718464,0,0,1.226041937,1.606295984,1.169793123,1.103048046,0.850209343,0.779078607,0.444612905,0,0,165.54322,145.3789619,159.3328839,158.7798464,168.8696839,169.0200999,184.917652,0,0,1.834876543,2.294117647,1.805555556,1.827956989,1.454545455,1.5,1,0,0,0.034016318,6.04E-04,-0.006571439,-0.024765097,0.008528589,-0.006292357,0.011487932,0,0,484.264036,-53.80711511,1.53E-13,-269.0355756,-2.74E-13,-161.4213453,242.132018,0,0,900.5096538,-100.0566282,2.20E-13,-500.283141,-2.63E-13,-300.1698846,450.2548269,0,0,0.094864,-0.010540444,5.72E-16,-0.052702222,-5.63E-16,-0.031621333,0.047432,0,0,4.025697139,-0.447299682,1.33E-15,-2.236498411,-1.33E-15,-1.341899046,2.01284857,0,0,21.86765075,-2.429738973,2.58E-14,-12.14869486,-3.11E-14,-7.289216918,10.93382538,0,0,3.211419753,-1.053069273,1.112139918,-2.668124143,0.987397119,-1.467078189,1.483024691,0,0,0.001889795,3.55E-05,-2.19E-04,-7.99E-04,2.58E-04,-2.62E-04,6.38E-04,0,0,26.90355756,-3.165124418,5.09E-15,-8.678566953,-8.29E-15,-6.725889389,13.45177878,0,0,50.0283141,-5.885684011,7.34E-15,-16.13816584,-7.97E-15,-12.50707852,25.01415705,0,0,0.005270222,-6.20E-04,1.91E-17,-0.001700072,-1.71E-17,-0.001317556,0.002635111,0,0,0.223649841,-0.026311746,4.44E-17,-0.07214511,-4.04E-17,-0.05591246,0.111824921,0,0,1.214869486,-0.142925822,8.59E-16,-0.391893383,-9.42E-16,-0.303717372,0.607434743,0,0,0.178412209,-0.061945251,0.037071331,-0.086068521,0.029921125,-0.061128258,0.082390261,0,0,0.018807272,-0.115910946,-0.422730447,0.136756647,-0.138735405,0.337718277,0,0,-0.117647059,1.89E-16,-0.322580645,-3.08E-16,-0.25,0.5,0,0,-0.117647059,1.47E-16,-0.322580645,-1.59E-16,-0.25,0.5,0,0,-0.117647059,3.62E-15,-0.322580645,-3.24E-15,-0.25,0.5,0,0,-0.117647059,1.99E-16,-0.322580645,-1.81E-16,-0.25,0.5,0,0,-0.117647059,7.07E-16,-0.322580645,-7.75E-16,-0.25,0.5,0,0,-0.347202985,0.207784719,-0.482413852,0.167707833,-0.342623739,0.461797213,0,0,1.284960032,1.309181463,1.642448455,0.670434642,0.78176079,0.004318407,0,0,1.5,1.0625,1.370967742,0.837121212,1.0625,0,0,0,1.5,1.0625,1.370967742,0.837121212,1.0625,0,0,0,1.5,1.0625,1.370967742,0.837121212,1.0625,0,0,0,1.5,1.0625,1.370967742,0.837121212,1.0625,0,0,0,1.5,1.0625,1.370967742,0.837121212,1.0625,0,0,0,1.764536281,0.718068236,1.664925362,0.548075663,1.32340221,0,0,0,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,19.22162312,9.610811559,14.61653357,19.22162312,3.203603853,9.610983178,-5.33E-15,0.12472948,0.020788247,-1.248964827,21.8153193,3.635886551,1.849567466,21.14453912,10.53245474,16.12985288,21.0914527,3.515242116,10.53251867,-0.07962963,0.159026208,0.026504368,-1.103211757,18.92599419,3.154332364,1.764321799,0,11.89,12.11007471,-0.17326705,0.049670123,5.214369888,7.378696616,5,17,16,16,4,1,1,0,0,1,13.118484,3.532959885,2.941834607,2.333552793,2.120755613,1.401922417,0.354682903,0.083923071,0.083923071,1.87177014,1.569635374,1.249629723,1.006050198,0.569007432,0.083923071,0.083923071,0.083923071,3.553546526,2.986235002,2.405454588,2.187757642,1.498877166,0.480315977,0.270913902,0.270913902,1.817909022,1.482975783,1.134540686,0.891919666,0.430272234,0.270913902,0.270913902,0.270913902,3.648008463,3.179027368,2.704236987,2.471606288,1.892477614,0.959218208,0.943918427,0.943918427,1.667637597,1.216833856,0.76031856,0.525715552,0.035522772,0.943918427,0.943918427,0.943918427,3.568923451,3.018851683,2.457539916,2.236638709,1.56863582,0.569019741,0.399277246,0.399277246,1.784308846,1.426769086,1.058262671,0.816632916,0.337249574,0.399277246,0.399277246,0.399277246,3.696339941,3.270769598,2.838982085,2.601986593,2.064456247,1.207644823,1.207644823,1.207644823,1.623463591,1.130673224,0.631337262,0.401629124,0.202022445,1.150770408,1.207644823,1.207644823,3.573162445,3.047259858,2.558732663,2.32544852,1.612346658,0.637303186,0.537313433,0.537313433,1.768167991,1.375024602,0.946792365,0.722269638,0.25543157,0.537313433,0.537313433,0.537313433,0,0,0,1,1,3,1,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.288675135,0,0,0,0.288675135,0.288675135,0,0.204124145,0.204124145,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.78445705,2.404030206,1.689722705,0.612372436,0.40824829,0,0,0,0.797409508,0.480806041,0.337944541,0.204124145,0.204124145,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,2,3,0,1,0,0,0,0,0,0,0,0,3,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.622685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.533680556,0.870833333,0,0.304166667,0,0,0,0,0,0,0,0,6.375,0,1.168981481,0,2.208333333,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.243402778,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.114583333,0,1.168981481,0,2.208333333,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.208333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.304166667,0,0,0.290277778,0.290277778,0,0.304166667,0,0,0,0,0,0,0,0,2.145833333,0,1.168981481,0,2.208333333,0,0,0,0,1.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.16666667,1.861111111,0.304166667,2.208333333,0.081597222,1.168981481,3.736358796,0.331018519,0.208333333,1.166666667,0.331018519,0.208333333,1.166666667,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.70728,0.78455,5.69868,0.9914,0.16523,2.17869,0.36312,2.77005,0.59135,0.09856,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.94471679,2.821888196,2.821888196,2.590225695,1.895238195,16.52932501,35.00490222,50.79398752,50.79398752,46.62406252,34.11428751,0.220218789,0.46636733,0.676723969,0.676723969,0.621168413,0.454501746,3.251629167,2.225208211,1.348036806,1.348036806,1.579699306,2.274686806,0.220218789,0.46636733,0.676723969,0.676723969,0.621168413,0.454501746,6.73287657,16.01742989,16.90146519,16.90146519,14.12151519,8.328139924,23.69925001,14.79422358,15.1849632,15.1849632,13.7949882,10.7833757,6,3.2,5.333333333,6,2,5,2.12,0.911,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,2.685,5,3,2,0,0,0,0,0,0,21,1.945910149,2.197224577,1.945910149,1.609437912,0,0,0,0,0,0,3.433987204,1.428571429,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,109.6959078,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,84.09390038,4.671883355,10.67917749,1.779862916,0,0,0,32,3,2.836,20,1.197508043,2.075098717,2.933120502,3.569848521,4.323365202,5.306046843,0,0,0,0,74.77846956,73.93685959,70.50869143,58.38329696,31.53423295,5.391283179,0,0,0,0,278.2404464,317.7181489,378.9831178,337.7949151,339.0976391,164.931804,0,0,0,0,8.716309556,14.7091694,20.74117771,24.78201525,30.02319808,35.6484847,0,0,0,0,2.097649978,2.614545598,3.350002894,3.186263422,3.559200525,2.3591369,0,0,0,0,171.3565345,325.6580034,462.3038317,598.545689,721.6591014,981.1817237,0,0,0,0,2.877677814,3.978434642,5.493081921,5.368976232,6.77051681,5.306046843,0,0,0,0,0.434502261,0.551244056,0.714072733,0.688495588,0.779440658,0.543339197,0,0,0,0,293.8250451,103.5603696,7.689407772,115.5108968,-40.71249667,-6.658849357,178.3141483,144.2728663,14.34825713,0.717809054,0.252996033,0.018785078,0.282190946,-0.099459863,-0.016267444,120.2731516,42.39098145,3.147550973,47.28276175,-16.66508817,-2.725706374,0.16210967,0.242711593,0,4.526340707,409.3359419,0,1,0,313.4282621,17.70390528,6.792756575,466.0178918,21.58744755,7.752959768,490.4166463,22.1453527,7.885969039,1.333058491,1.333058491,313.7168212,229.1052449,97.5403065,1.369313135,3.216278813,2.348826379,3.781787679,3.553441627,6.05946099,0.705237239,4.331521243,3.086195504,6.145770667,8.073602459,7.293104336,5.887893169,10.6362871,4.404013866,3.57757638,4.696277298,1.940783952,7.45E-09,7.61E-39,1.50E-90,5.71E-164,4.19E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.36352977,2.166230633,1.849933307,0.948696602,0.434831132,1.240237955,0.709678436,0.541353338,0.194494617,0.077881383,0.013669101,5.24E-11,5.36E-41,1.06E-92,4.02E-166,2.95E-261,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.173481424,2.35348529,2.615585294,1.982462748,1.232331564,1.889199888,2.411461266,0.82131885,0.697531672,0.459793198,0.142442564,5.47E-10,5.59E-40,1.10E-91,4.19E-165,3.08E-260,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.088603648,3.029688493,5.843436629,7.488633897,6.660129757,5.497334773,9.913807698,3.987659106,3.304127446,4.215149503,1.729203561,6.63E-09,6.78E-39,1.34E-90,5.09E-164,3.73E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.729487843,2.482187047,3.174204901,2.816989421,1.958661381,2.423686046,3.676017639,1.164486371,1.09853002,0.888477186,0.309404281,1.19E-09,1.21E-39,2.39E-91,9.11E-165,6.68E-260,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.230935757,3.295628333,7.3098519,10.40841413,9.878701518,7.454346801,13.44162666,6.149834557,4.665357758,6.702937209,2.830450994,1.09E-08,1.11E-38,2.19E-90,8.33E-164,6.11E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.397874578,2.428543276,3.730662603,3.805681007,3.004853636,2.873456814,4.933262389,1.740774994,1.668625609,1.524097815,0.560315442,2.15E-09,2.20E-39,4.34E-91,1.65E-164,1.21E-259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.655179489,1.701132501,0.356342948,0.639839012,0.297783171,0.579215125,0.487960487,0.444147959,5.712654937,8.126628628,16.05500428,0.459758517,1.511323571,2.648048794,1.086089099,0.076821934,0.694850881,0.28499096,0.303776392,0.197651244,0.020642477,3.810959826,3.162880622,7.19478163,0.542276322,0.522070112,3.047769942,1.330642847,0.187838608,0.667455573,0.291408145,0.40249603,0.297673781,0.123413042,4.566251397,4.877928237,10.20595785,0.501183359,0.823582853,3.630220966,1.685930564,0.349422795,0.640750744,0.297574521,0.571318562,0.479236592,0.427064824,5.665574324,7.977885005,15.78203183,0.461126117,1.477619978,3.22607139,1.43952124,0.237323309,0.657990353,0.293605123,0.451028967,0.348758263,0.197002676,4.902915938,5.751252166,11.75629714,0.48698553,0.996789905,3.733324366,1.748719302,0.378008098,0.637080441,0.298413627,0.604291369,0.515774843,0.499796882,5.860051766,8.600793281,16.92868467,0.455620662,1.619863093,3.63292005,1.688192851,0.34919765,0.640691549,0.297724937,0.572161282,0.480500918,0.426514655,5.670310552,7.991189778,15.80315384,0.461037323,1.479176855 +UMLYSI0188,L,methylcyclohexane,CC1CCCCC1,cyclic alkanes,C7H14,108-87-2,7962,PubChem,,53.6,0,-0.2194,0.04813636,26.1737,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1477.025768,1132.116893,431.027017,82.888848,6.096384,0,0,3399.790734,4570.930941,6619.957195,6504.082355,3827.665667,1257.525459,186.5024666,0,0,146.842108,152.43046,299.130272,419.991476,372.001636,183.394368,40.310784,0,0,25.74688067,35.11192034,54.8202553,59.80401473,40.40094347,15.34920546,2.667677429,0,0,3476.407621,3031.276161,6474.882305,9786.999304,9259.732723,4833.801083,1109.505912,0,0,31.02777778,38,65.33333333,84.83333333,68.16666667,30.5,6,0,0,48.76541633,56.15943233,35.16728019,18.86861488,7.981981796,3.069957333,1.016064,0,0,161.8947969,217.6633782,157.6180285,108.4013726,70.88269754,46.57501701,31.08374443,0,0,6.992481333,7.258593333,7.122149333,6.999857933,6.888919185,6.792384,6.718464,0,0,1.226041937,1.671996207,1.305244174,0.996733579,0.74816562,0.568489091,0.444612905,0,0,165.54322,144.3464838,154.1638644,163.1166551,171.4765319,179.0296697,184.917652,0,0,1.477513228,1.80952381,1.555555556,1.413888889,1.262345679,1.12962963,1,0,0,0.028633867,-0.001407354,-0.00797372,-0.012604541,-0.003573366,0.007573217,0.00366883,0,0,564.9747087,5.76E-13,-161.4213453,-282.4873543,-80.71067267,161.4213453,80.71067267,0,0,1050.594596,0,-300.1698846,-525.297298,-150.0849423,300.1698846,150.0849423,0,0,0.110674667,1.58E-15,-0.031621333,-0.055337333,-0.015810667,0.031621333,0.015810667,0,0,4.696646663,7.55E-15,-1.341899046,-2.348323331,-0.670949523,1.341899046,0.670949523,0,0,25.51225921,2.26E-14,-7.289216918,-12.75612961,-3.644608459,7.289216918,3.644608459,0,0,1.661375661,-0.432539683,-0.100529101,-0.56292517,-0.195389267,0.260770975,0.199924414,0,0,0.001363517,-6.70E-05,-1.90E-04,-2.10E-04,-6.62E-05,2.80E-04,6.11E-04,0,0,26.90355756,2.74E-14,-3.843365365,-4.708122572,-1.494642086,5.978568346,13.45177878,0,0,50.0283141,0,-7.146902014,-8.754954967,-2.779350783,11.11740313,25.01415705,0,0,0.005270222,7.54E-17,-7.53E-04,-9.22E-04,-2.93E-04,0.00117116,0.002635111,0,0,0.223649841,3.60E-16,-0.031949977,-0.039138722,-0.012424991,0.049699965,0.111824921,0,0,1.214869486,1.08E-15,-0.173552784,-0.21260216,-0.067492749,0.269970997,0.607434743,0,0,0.079113127,-0.020597128,-0.00239355,-0.009382086,-0.00361832,0.009658184,0.033320736,0,0,-0.049149977,-0.139235826,-0.154068928,-0.048531417,0.205710238,0.448451667,0,0,1.02E-15,-0.142857143,-0.175,-0.055555556,0.222222222,0.5,0,0,0,-0.142857143,-0.175,-0.055555556,0.222222222,0.5,0,0,1.43E-14,-0.142857143,-0.175,-0.055555556,0.222222222,0.5,0,0,1.61E-15,-0.142857143,-0.175,-0.055555556,0.222222222,0.5,0,0,8.88E-16,-0.142857143,-0.175,-0.055555556,0.222222222,0.5,0,0,-0.260350318,-0.030254777,-0.118590764,-0.045736023,0.122080679,0.421178344,0,0,1.477163724,1.274217785,1.13324702,0.849142722,0.429331252,0.003657132,0,0,1.428571429,1.326530612,1.142857143,0.833333333,0.396825397,0,0,0,1.428571429,1.326530612,1.142857143,0.833333333,0.396825397,0,0,0,1.428571429,1.326530612,1.142857143,0.833333333,0.396825397,0,0,0,1.428571429,1.326530612,1.142857143,0.833333333,0.396825397,0,0,0,1.428571429,1.326530612,1.142857143,0.833333333,0.396825397,0,0,0,1.751592357,0.979299363,1.100716561,0.916489738,0.613057325,0,0,0,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,24.34089927,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,7.11E-15,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,26.751821,13.22427373,19.43909809,26.71185501,3.815979287,13.22428042,-0.093253968,0.001166081,1.67E-04,-4.727874868,26.92918315,3.847026164,2.305247402,0,11.9,12.10010405,-0.151390191,0.048727336,5.84037006,7.811257143,7,21,21,21,7,0,0,0,0,0,15.304898,3.619709833,2.947870273,2.750129472,2.19778794,1.456797487,1.282157777,0.909056138,0.083923071,1.992782358,1.526948,1.372874417,1.089355281,0.666206401,0.569924766,0.357956204,0.083923071,3.644947749,2.986968346,2.792995694,2.266448281,1.556142907,1.390133583,1.040076644,0.270913902,1.938180965,1.443918105,1.285229005,0.975931258,0.522081792,0.419185133,0.196789634,0.270913902,3.755653422,3.160130501,2.981537655,2.554776995,1.9628467,1.827874832,1.548123573,0.943918427,1.777717199,1.194734652,1.018928274,0.609339375,0.037619229,0.092397527,0.362426509,0.943918427,3.663523346,3.015874385,2.824624264,2.316381118,1.62787375,1.467847241,1.132774638,0.399277246,1.903434383,1.390527877,1.228596505,0.900910738,0.425347018,0.317667215,0.087474289,0.399277246,3.809466638,3.244459316,3.072480534,2.686061155,2.141548494,2.018054307,1.760298992,1.207644823,1.727635969,1.116178837,0.933903671,0.484038304,0.135164289,0.2769767,0.570760117,1.207644823,3.681198327,3.12201655,2.868984444,2.470134731,1.76184368,1.610949006,1.296202187,0.646153846,1.867136902,1.270256483,1.146459064,0.71677011,0.253599829,0.137317573,0.103287959,0.646153846,0,0,0,0,0,1,5,1,0,0,0,0,0.102062073,0.102062073,0,0,0,0.102062073,0.102062073,0.288675135,0,0,0,0.288675135,0,0,0,0.40824829,0.433012702,0.40824829,0.40824829,0.433012702,0.40824829,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.5866,32.249,25.81164286,34.91599912,51.62328572,7.374755103,25.81164286,0.063309915,0.009044274,-1.931799329,26.80913824,3.829876892,2.302119966,45,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,1,0,5,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,2.360277778,0,7.437175926,0,0,0,1.03587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.360277778,0,1.486111111,0,0,0,1.03587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.360277778,0,1.490416667,0,0,0,1.03587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.83333333,1.547619048,0.2,2.360277778,0.2,1.03587963,5.044607639,0.297453704,0.360277778,0.720555556,0.297453704,0.360277778,0.720555556,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.14286,0.14286,0,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.62679,0.94668,6.62679,0,0,3.39384,0.48483,3.39384,0,0,0.02016,0.00288,0.10616,0.01517,0.285714286,7,0,0,0,0,0,0,1,0.918295834,1.301240785,2.262362377,2.629481708,2.41566147,2.297079328,19.28421252,27.3260565,47.50960993,55.21911587,50.72889087,48.23866588,0.209068641,0.296253813,0.515072605,0.598654754,0.549974248,0.522976622,3.474021589,3.091076637,2.129955045,1.762835715,1.976655953,2.095238095,0.209068641,0.296253813,0.515072605,0.598654754,0.549974248,0.522976622,6.73287657,11.32821599,14.83801525,14.16113349,13.29390227,13.17439222,27.64912502,22.75804088,20.11514464,21.30613189,22.81194905,22.78031708,5.142857143,2.34375,1.5,0,0,0,2.23,0.9863,0,1.850535862,1,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,3.395,8,8,8,8,2,0,0,0,0,48,2.079441542,2.197224577,2.197224577,2.197224577,2.197224577,1.098612289,0,0,0,0,3.891820298,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,0,3,4,0.333333333,1,0.444444444,0.1875,0.111111111,0,0,0,0,0,0,0.142857143,0.055555556,0.0375,0.111111111,0,0,0,0,0,0,0.34702381,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,0,117.2718924,3.807354922,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,71.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.388905171,98.10955045,4.671883355,13.67682532,1.953832189,0,0,0,42,5,3.922,30,1.220523193,2.086009777,2.795112973,3.520164747,4.282982798,5.172514281,0,0,0,0,78.01718708,81.31531848,56.59167441,30.17524231,13.80076908,5.255605551,0,0,0,0,287.7972294,350.2878403,318.299832,258.2859895,204.3991055,160.781112,0,0,0,0,8.889594735,14.90063589,19.61743961,24.28142782,29.11513643,34.75135099,0,0,0,0,2.16080321,2.850202542,2.892515813,2.695811098,2.474164722,2.2997666,0,0,0,0,174.2909705,318.5132428,451.9308122,601.2064839,764.9113221,956.489196,0,0,0,0,2.257719183,3.318228363,4.028833779,4.510597636,4.884513348,5.172514281,0,0,0,0,0.447249296,0.599087964,0.619984824,0.591387275,0.555805592,0.529665462,0,0,0,0,314.1330854,114.3742458,8.142541554,80.35130448,-29.255498,-4.270193301,233.7817809,143.6297439,12.41273486,0.796313095,0.289933515,0.020640973,0.203686905,-0.074161358,-0.010824746,123.9205985,45.11885459,3.212105537,31.69733532,-11.54083728,-1.684524599,0.081388859,0.171156848,1.42058525,1.421020146,394.4843899,0,1,0,496.6404669,22.28543172,7.919188876,632.2589721,25.14476033,8.582852854,790.8053427,28.1212614,9.247475689,1.427238702,1.217989365,271.952974,197.3815574,114.0262834,1.377803365,2.385002527,1.731018074,3.422933651,3.651473827,5.904977379,0.617149036,3.905229045,4.796804889,7.969768476,9.568090312,15.54889678,6.287160949,7.273722887,3.307207976,4.049061661,0.001465238,0.405380218,4.20E-16,8.41E-53,3.25E-111,2.42E-191,3.47E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.328306635,4.623824884,0.556474761,3.180278409,0.887608374,1.147577891,0.793745194,0.096819953,0.106819862,1.03E-05,0.002855126,2.96E-18,5.92E-55,2.29E-113,1.70E-193,2.44E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.058432573,4.635384542,1.846003496,3.788619827,3.120744162,2.047871652,1.332886012,0.431635473,0.498351173,1.08E-04,0.029752614,3.09E-17,6.17E-54,2.38E-112,1.77E-192,2.54E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.686252354,4.777813479,7.436800468,8.930971495,14.38264108,5.919877179,6.599825449,2.997290473,3.661556605,0.001305501,0.361186476,3.75E-16,7.49E-53,2.89E-111,2.15E-191,3.09E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559641195,4.650371529,2.797640528,4.412749493,4.879246726,2.710078294,1.935644696,0.756636873,0.889802172,2.34E-04,0.064626654,6.70E-17,1.34E-53,5.17E-112,3.85E-192,5.53E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.716001246,4.876661026,10.03295697,12.20643893,20.17210776,7.706818676,10.08359911,4.583427298,5.649776527,0.002136912,0.59120895,6.13E-16,1.23E-52,4.73E-111,3.52E-191,5.06E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.601157949,4.481400369,4.760347268,6.279492012,8.680432559,4.333192323,3.937932429,1.739735242,2.084171635,6.12E-04,0.169252238,1.76E-16,3.51E-53,1.35E-111,1.01E-191,1.45E-293,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.492100299,1.499463431,0.652442375,0.536627266,0.322881451,0.490173101,0.510450923,0.426935834,4.644006105,6.341078585,13.42314001,0.304940899,1.427559857,1.814781084,0.961300188,0.201585061,0.609464218,0.322836772,0.259632649,0.209085157,0.040822809,2.977666333,2.30416591,5.633507339,0.414196327,0.509540615,2.083545391,1.17518317,0.380753843,0.572483985,0.322898434,0.342319875,0.312954545,0.145579104,3.639482403,3.689320898,8.261097161,0.358725978,0.800853524,2.475309084,1.486152987,0.641290156,0.537788906,0.322883552,0.483568015,0.501394605,0.412490795,4.602752227,6.219134619,13.18099324,0.306683359,1.397453415,2.203455229,1.270454847,0.460570989,0.560037065,0.322902773,0.382937441,0.365972608,0.212949252,3.934481065,4.399372577,9.623171637,0.340055598,0.961859301,2.544675452,1.541131368,0.687354163,0.533121649,0.322874375,0.511147934,0.539327428,0.473754233,4.773160982,6.730075484,14.19881896,0.299682473,1.524229594,2.485740309,1.48801285,0.643571906,0.538350728,0.322267293,0.487582727,0.502657118,0.415300208,4.617325064,6.256209415,13.25398695,0.307526092,1.405540053 +UMLYSI0189,L,"2,3-dimethyl-1-butene",CC(C)C(=C)C,alkenes,C6H12,563-78-0,11249,PubChem,,53.4,0,1.7268,2.98183824,28.697,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,1045.244598,873.72298,286.677216,30.48192,0,0,0,2914.106344,3494.423905,4458.251484,4634.248866,3145.880449,932.5123329,0,0,0,125.864664,123.114164,212.074584,241.296016,290.957184,201.55392,0,0,0,22.06875486,27.30703172,36.76914939,40.54834087,33.39023292,13.33838715,0,0,0,2979.777961,2471.442353,4753.658325,5291.624482,7067.04909,5547.529561,0,0,0,37.55555556,41.22222222,55.33333333,72.66666667,70,30,0,0,0,48.76541633,50.97680359,34.8414866,25.69773471,6.825648,1.016064,0,0,0,161.8947969,205.5543474,148.6083828,136.3014372,74.90191545,31.08374443,0,0,0,6.992481333,7.242009647,7.0691528,7.096941647,6.927552,6.718464,0,0,0,1.226041937,1.606295984,1.225638313,1.192598261,0.795005546,0.444612905,0,0,0,165.54322,145.3789619,158.4552775,155.6360142,168.2630736,184.917652,0,0,0,2.086419753,2.424836601,1.844444444,2.137254902,1.666666667,1,0,0,0,0.037845127,-0.007313313,0.004195443,-0.020193286,-0.022327019,0.026715611,0,0,0,484.264036,-53.80711511,80.71067267,-349.7462482,-322.8426907,403.5533633,0,0,0,900.5096538,-100.0566282,150.0849423,-650.3680833,-600.3397692,750.4247115,0,0,0,0.094864,-0.010540444,0.015810667,-0.068512889,-0.063242667,0.079053333,0,0,0,4.025697139,-0.447299682,0.670949523,-2.907447934,-2.683798093,3.354747616,0,0,0,21.86765075,-2.429738973,3.644608459,-15.79330332,-14.57843384,18.22304229,0,0,0,5.555555556,-2.333333333,2,-1.111111111,-4.666666667,3.333333333,0,0,0,0.002102507,-4.30E-04,1.40E-04,-5.94E-04,-5.32E-04,8.91E-04,0,0,0,26.90355756,-3.165124418,2.690355756,-10.28665436,-7.68673073,13.45177878,0,0,0,50.0283141,-5.885684011,5.00283141,-19.12847304,-14.29380403,25.01415705,0,0,0,0.005270222,-6.20E-04,5.27E-04,-0.002015085,-0.001505778,0.002635111,0,0,0,0.223649841,-0.026311746,0.022364984,-0.085513175,-0.063899955,0.111824921,0,0,0,1.214869486,-0.142925822,0.121486949,-0.464508921,-0.347105568,0.607434743,0,0,0,0.308641975,-0.137254902,0.066666667,-0.032679739,-0.111111111,0.111111111,0,0,0,-0.204610432,0.066514929,-0.28248189,-0.252838951,0.423551655,0,0,0,-0.117647059,0.1,-0.382352941,-0.285714286,0.5,0,0,0,-0.117647059,0.1,-0.382352941,-0.285714286,0.5,0,0,0,-0.117647059,0.1,-0.382352941,-0.285714286,0.5,0,0,0,-0.117647059,0.1,-0.382352941,-0.285714286,0.5,0,0,0,-0.117647059,0.1,-0.382352941,-0.285714286,0.5,0,0,0,-0.444705882,0.216,-0.105882353,-0.36,0.36,0,0,0,1.490488958,0.90413532,1.442505656,1.167157836,0.082393556,0,0,0,1.5,0.991666667,1.5,1.113095238,0,0,0,0,1.5,0.991666667,1.5,1.113095238,0,0,0,0,1.5,0.991666667,1.5,1.113095238,0,0,0,0,1.5,0.991666667,1.5,1.113095238,0,0,0,0,1.5,0.991666667,1.5,1.113095238,0,0,0,0,1.8,0.498666667,1.36,1.457142857,0,0,0,0,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,18.30662442,9.153312212,13.55116877,18.30662442,3.051104071,9.153577608,3.55E-15,0.071030235,0.011838373,-1.586789786,15.23633164,2.539388607,1.634209689,27.35121281,13.49227307,20.7392081,27.10676837,4.517794728,13.49227607,-0.366666667,0.121228414,0.020204736,-1.266047278,14.2004966,2.366749433,1.591966161,0,11.89,12.11007471,-0.171717965,0.050870917,5.799201109,7.822760625,5,17,16,16,4,1,1,0,0,1,13.118484,3.54688642,2.882741093,2.333552793,2.225633185,1.311576857,0.377869599,0.083923071,0.083923071,1.888164914,1.504295285,1.249629723,1.113576313,0.502978359,0.083923071,0.083923071,0.083923071,3.567872114,2.925735049,2.405454588,2.294583306,1.408670279,0.499309956,0.270913902,0.270913902,1.83436842,1.417106347,1.134540686,1.001341106,0.359699224,0.270913902,0.270913902,0.270913902,3.663676216,3.11439833,2.704236987,2.582939642,1.807291365,0.960747317,0.943918427,0.943918427,1.683492613,1.151735752,0.76031856,0.637314864,0.119164066,0.943918427,0.943918427,0.943918427,3.583520973,2.957433039,2.457539916,2.344653769,1.478828883,0.584911008,0.399277246,0.399277246,1.800743558,1.360737634,1.058262671,0.927013719,0.263743778,0.399277246,0.399277246,0.399277246,3.712418321,3.205173364,2.838982085,2.713681341,1.983213056,1.207644823,1.207644823,1.207644823,1.638855195,1.066797447,0.631337262,0.512357958,0.288976647,1.145127163,1.207644823,1.207644823,3.584776845,3.006353795,2.5,2.5,1.463021768,0.601457103,0.5,0.5,1.845134323,1.305468963,1,0.761471008,0.243535217,0.5,0.5,0.5,0,0,1,0,1,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.666666667,0,0.333333333,0,0.49279928,0,0.204124145,0,1.333333333,0,0,0.90104757,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,4.78445705,2.296929064,2.001053209,0.98559856,0,0,0,0,0.797409508,0.459385813,0.333508868,0.24639964,0,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,24,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,3,2,0,1,0,0,0,0,0,0,0,0,3,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.013888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.777083333,0.580555556,0,0.363194444,0,0,0,0,0,0,0,0,6.328703704,3.75462963,0,0,0,0,0.657407407,0,0,1.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.243402778,0.290277778,0,0.363194444,0,0,0,0,0,0,0,0,2.046296296,3.75462963,0,0,0,0,0.657407407,0,0,1.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.75462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.290277778,0.290277778,0,0.363194444,0,0,0,0,0,0,0,0,2.141203704,3.75462963,0,0,0,0,0.657407407,0,0,1.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,2,0.363194444,3.75462963,0.069444444,0.657407407,4.029814815,0.675925926,0.75462963,2.166666667,0.675925926,0.75462963,2.166666667,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.66667,0.33333,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.86109,0.81018,6.13075,1.26965,0.21161,2.1183,0.35305,2.64272,0.52442,0.0874,0.27128,0.04521,0.27128,0.04521,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.102187171,2.821888196,2.821888196,2.358563195,1.311361806,16.52932501,37.83936908,50.79398752,50.79398752,42.45413752,23.60451251,0.220218789,0.504130691,0.676723969,0.676723969,0.565612857,0.314480909,3.251629167,2.06773783,1.348036806,1.348036806,1.811361806,2.858563195,0.220218789,0.504130691,0.676723969,0.676723969,0.565612857,0.314480909,6.73287657,16.17613249,16.90146519,16.90146519,11.34156519,1.321623254,23.69925001,15.20198837,15.1849632,15.1849632,12.4050132,5.16683403,6,2.222222222,3,6,2,4,2.12,0.911,2.289428485,0,5.656854249,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.122,0.108,0.104,0.16,2.41,6,4,0,0,0,0,0,0,0,21,1.945910149,2.197224577,1.945910149,0,0,0,0,0,0,0,3.295836866,1.238095238,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,3,0.5,2,0.888888889,0,0,0,0,0,0,0,0,0.4,0.148148148,0,0,0,0,0,0,0,0,0.548148148,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,0,109.6959078,3.584962501,3.135494216,3.761200116,4.465908119,5.141663557,5.837730447,6.52649486,7.220373837,7.912423121,8.605753368,63.60704164,2.397895273,0,3.555348061,0,4.875197323,0,6.244166901,0,7.626082758,7.917536354,84.09390038,4.671883355,10.52364588,1.75394098,0,0,0,29,4,2.816,22,1.218176471,2.109577003,2.965464999,3.556975226,4.053990696,0,0,0,0,0,72.09694811,84.47532388,81.56922727,24.99486158,4.119114003,0,0,0,0,0,273.7619267,344.3950826,419.6816095,271.8261257,126.0132107,0,0,0,0,0,8.854038609,14.9811238,21.08149346,24.66690704,27.23659055,0,0,0,0,0,2.083499297,2.772766011,3.631620955,2.871011147,1.80245658,0,0,0,0,0,175.1053983,329.3958065,458.9515989,596.4544215,749.6544409,0,0,0,0,0,3.014607843,4.114653341,6.479454464,5.978653571,4.053990696,0,0,0,0,0,0.432308382,0.582443448,0.770957677,0.629492981,0.415128647,0,0,0,0,0,320.5263574,116.8023746,9.515343608,120.3539891,-43.85795863,-7.047911932,200.1723682,160.6603332,16.56325554,0.727014393,0.264929874,0.021582599,0.272985607,-0.099478144,-0.015985997,141.3137715,51.49587138,4.195127987,53.06170843,-19.336112,-3.107285855,0.146648919,0.272946783,3.493975888,6.523694273,440.8803465,0,1,0,333.2330094,18.25467089,6.932917066,449.9020669,21.21089501,7.66253838,529.7674607,23.01667788,8.091488599,1.128899747,1.044625866,237.8401085,159.6500088,110.8199766,1.489759445,2.146184432,1.440624819,3.473358942,3.200382783,5.273083328,0.64764145,3.51029105,3.98112584,3.605910462,9.615812917,4.886256274,7.099059847,7.389380437,7.818133351,2.898681102,0.013494541,2.02E-23,6.74E-66,4.49E-130,5.85E-216,1.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.294593113,3.965427528,0.223657464,5.616238863,1.017038304,1.437220007,0.497125885,0.390097908,0.020415648,9.50E-05,1.42E-25,4.74E-68,3.16E-132,4.12E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.950964342,3.966476943,0.774023613,6.286675776,1.301180293,2.462660571,1.466047351,1.434574296,0.212746793,9.90E-04,1.48E-24,4.94E-67,3.29E-131,4.29E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.3134208,3.979402453,3.349315577,9.319325544,4.47050405,6.706363811,6.812514788,7.196506942,2.582672676,0.012023393,1.80E-23,6.00E-66,4.00E-130,5.21E-216,1.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.401548931,3.967837182,1.193408684,6.790248666,1.646372185,3.205270752,2.261213417,2.291645153,0.462114463,0.002151331,3.22E-24,1.07E-66,7.15E-131,9.32E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.239221521,3.988372358,4.612209984,10.77220136,6.628706107,8.605359456,9.701161989,10.30922426,4.227453965,0.019680519,2.95E-23,9.82E-66,6.54E-130,8.53E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.888911292,2.743932672,1.499812825,6.948803981,2.004744586,4.717038598,3.167466302,3.117641773,0.724670276,0.003373635,5.06E-24,1.68E-66,1.12E-130,1.46E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.456493695,1.76017599,0.524094047,0.518164126,0.371285322,0.552080646,0.504298169,0.422344983,4.740763733,6.533792705,13.54066637,0.334174172,1.478723798,1.709719081,1.127687354,0.194498023,0.563909287,0.371940267,0.287280117,0.23234941,0.05920089,3.031904458,2.479898528,5.886800734,0.403774331,0.578830416,2.002273056,1.382862366,0.325472472,0.539607825,0.372678118,0.380797109,0.333908721,0.164429976,3.710607894,3.87063645,8.482434675,0.368428915,0.879135805,2.437638932,1.744878186,0.515940074,0.518816887,0.371372583,0.544296001,0.496906667,0.409441921,4.698457192,6.411311189,13.30425912,0.335284205,1.45064459,2.134521069,1.494793189,0.383819693,0.531883833,0.372475279,0.427253319,0.381934347,0.227963184,4.013133951,4.58366984,9.821444832,0.356538669,1.03715085,2.515619586,1.807974047,0.549620585,0.516213627,0.371002375,0.576885268,0.527671145,0.464015288,4.873214217,6.924510983,14.29749576,0.330824002,1.568571702,2.436455244,1.752363361,0.514907106,0.517984125,0.372547948,0.545107525,0.503592432,0.407348987,4.70372571,6.426407363,13.32855723,0.335798109,1.456048945 +UMLYSI0190,L,"3,3-dimethyl-1-butene",CC(C)(C)C=C,alkenes,C6H12,558-37-2,11210,PubChem,,53.1,0,2.2637,5.12433769,29.274,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,1177.401631,822.251307,218.184624,18.289152,0,0,0,2914.106344,3494.423905,4767.031769,5004.289918,2840.064045,559.5073998,0,0,0,125.864664,123.114164,212.497468,263.8227,348.629184,120.932352,0,0,0,22.06875486,27.30703172,38.44450508,44.88934373,32.70922922,8.003032287,0,0,0,2979.777961,2471.442353,4727.330133,5650.139899,8953.873689,3328.517736,0,0,0,38.5625,42,57.25,82.5,75,18,0,0,0,48.76541633,50.97680359,39.24672103,22.2230083,4.278129882,1.016064,0,0,0,161.8947969,205.5543474,158.901059,135.2510789,55.6875303,31.08374443,0,0,0,6.992481333,7.242009647,7.083248933,7.130343243,6.835866353,6.718464,0,0,0,1.226041937,1.606295984,1.281483503,1.213225506,0.641357436,0.444612905,0,0,0,165.54322,145.3789619,157.5776711,152.7064838,175.5661508,184.917652,0,0,0,2.142361111,2.470588235,1.908333333,2.22972973,1.470588235,1,0,0,0,0.041805491,-0.014031132,0.01376157,-0.030988727,-0.012418079,0.022773623,0,0,0,484.264036,-53.80711511,161.4213453,-672.5889389,80.71067267,242.132018,0,0,0,900.5096538,-100.0566282,300.1698846,-1250.707852,150.0849423,450.2548269,0,0,0,0.094864,-0.010540444,0.031621333,-0.131755556,0.015810667,0.047432,0,0,0,4.025697139,-0.447299682,1.341899046,-5.591246027,0.670949523,2.01284857,0,0,0,21.86765075,-2.429738973,7.289216918,-30.37173716,3.644608459,10.93382538,0,0,0,5.892361111,-2.589313272,2.912037037,-3.254436728,-2.184606481,2.170138889,0,0,0,0.002322527,-8.25E-04,4.59E-04,-8.38E-04,-2.43E-04,0.001265201,0,0,0,26.90355756,-3.165124418,5.380711511,-18.17807943,1.582562209,13.45177878,0,0,0,50.0283141,-5.885684011,10.00566282,-33.80291493,2.942842006,25.01415705,0,0,0,0.005270222,-6.20E-04,0.001054044,-0.003560961,3.10E-04,0.002635111,0,0,0,0.223649841,-0.026311746,0.044729968,-0.151114757,0.013155873,0.111824921,0,0,0,1.214869486,-0.142925822,0.242973897,-0.820857761,0.071462911,0.607434743,0,0,0,0.327353395,-0.152312545,0.097067901,-0.087957749,-0.042835421,0.120563272,0,0,0,-0.355371819,0.197508552,-0.360612847,-0.104839133,0.544751972,0,0,0,-0.117647059,0.2,-0.675675676,0.058823529,0.5,0,0,0,-0.117647059,0.2,-0.675675676,0.058823529,0.5,0,0,0,-0.117647059,0.2,-0.675675676,0.058823529,0.5,0,0,0,-0.117647059,0.2,-0.675675676,0.058823529,0.5,0,0,0,-0.117647059,0.2,-0.675675676,0.058823529,0.5,0,0,0,-0.465284759,0.296523276,-0.268693561,-0.130853756,0.368296995,0,0,0,1.620066961,0.653424154,1.538731167,0.897225731,0.175809531,0,0,0,1.5,0.920833333,1.837837838,0.625,0,0,0,0,1.5,0.920833333,1.837837838,0.625,0,0,0,0,1.5,0.920833333,1.837837838,0.625,0,0,0,0,1.5,0.920833333,1.837837838,0.625,0,0,0,0,1.5,0.920833333,1.837837838,0.625,0,0,0,0,1.803182086,0.465822039,1.291468251,1.187978786,0,0,0,0,17.50479896,8.75239948,12.38729701,17.50479896,2.917466493,8.752787923,-8.88E-15,0.031650066,0.005275011,-2.071809035,19.90374672,3.31729112,1.794544795,17.50479896,8.75239948,12.38729701,17.50479896,2.917466493,8.752787923,-8.88E-15,0.031650066,0.005275011,-2.071809035,19.90374672,3.31729112,1.794544795,17.50479896,8.75239948,12.38729701,17.50479896,2.917466493,8.752787923,-8.88E-15,0.031650066,0.005275011,-2.071809035,19.90374672,3.31729112,1.794544795,17.50479896,8.75239948,12.38729701,17.50479896,2.917466493,8.752787923,-8.88E-15,0.031650066,0.005275011,-2.071809035,19.90374672,3.31729112,1.794544795,17.50479896,8.75239948,12.38729701,17.50479896,2.917466493,8.752787923,-8.88E-15,0.031650066,0.005275011,-2.071809035,19.90374672,3.31729112,1.794544795,17.50479896,8.75239948,12.38729701,17.50479896,2.917466493,8.752787923,-8.88E-15,0.031650066,0.005275011,-2.071809035,19.90374672,3.31729112,1.794544795,27.90831543,13.75554661,19.36557169,27.64350062,4.607250103,13.75554882,-0.397222222,0.097385288,0.016230881,-1.397448076,21.54508427,3.590847378,1.842088609,0,11.79,12.21003864,-0.304077287,0.116294059,5.445299596,8.439502485,5,17,16,16,4,1,1,0,0,1,13.118484,3.559595674,2.810292559,2.333552793,2.333552793,1.229078407,0.405152309,0.083923071,0.083923071,1.901745452,1.399051877,1.249629723,1.249629723,0.451552408,0.083923071,0.083923071,0.083923071,3.580871496,2.850375932,2.405454588,2.405454588,1.327202193,0.521938912,0.270913902,0.270913902,1.848223016,1.315586623,1.134540686,1.134540686,0.303837187,0.270913902,0.270913902,0.270913902,3.677524158,3.027651915,2.704236987,2.704236987,1.734420258,0.962615914,0.943918427,0.943918427,1.697428799,1.062968109,0.76031856,0.76031856,0.189939944,0.943918427,0.943918427,0.943918427,3.596710865,2.880008542,2.457539916,2.457539916,1.398418513,0.603988134,0.399277246,0.399277246,1.814714325,1.261729295,1.058262671,1.058262671,0.204850698,0.399277246,0.399277246,0.399277246,3.726436429,3.113625125,2.838982085,2.838982085,1.91549993,1.207644823,1.207644823,1.207644823,1.652553019,0.98273017,0.631337262,0.631337262,0.364410565,1.138245609,1.207644823,1.207644823,3.574635334,3.026751418,2.483972303,2.483972303,1.48022226,0.530922458,0.489795918,0.489795918,1.880062258,1.100553661,1.014584548,1.014584548,0.121711469,0.489795918,0.489795918,0.489795918,0,0,1,1,0,3,0,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.366025404,0.288675135,0,0,1.060660172,0.353553391,0,0.612372436,0.204124145,0,5.207106781,2.560660172,2.914213562,1.060660172,0,0,0,0,0.86785113,0.512132034,0.416316223,0.353553391,0,0,0,0,4.78445705,2.196923425,2.570149549,0.612372436,0,0,0,0,0.797409508,0.439384685,0.367164221,0.204124145,0,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,24,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,3,0,0,2,0,0,0,0,0,0,0,0,3,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.569444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375347222,0.304166667,0,0,0.730208333,0,0,0.679513889,0,0,0,0,0,0,0,0,6.375,3.631944444,0,0,1.9375,0,0,0,0,0,0,0,0.305555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.9375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375347222,0.304166667,0,0,0.243402778,0,0,0.304166667,0,0,0,0,0,0,0,0,2.125,3.631944444,0,0,1.9375,0,0,0,0,0,0,0,0.305555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.631944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.375347222,0.304166667,0,0,0.243402778,0,0,0.375347222,0,0,0,0,0,0,0,0,2.125,3.631944444,0,0,1.9375,0,0,0,0,0,0,0,0.305555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.25,2.041666667,0.375347222,3.631944444,0.090277778,0.305555556,4.526319444,0.944444444,0.631944444,2.013888889,0.944444444,0.631944444,2.013888889,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.66667,0,0.16667,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,5.01036,0.83506,6.37132,1.36096,0.22683,2.03867,0.33978,2.56066,0.52199,0.087,0.35334,0.05889,0.35334,0.05889,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.056641667,2.209690973,2.209690973,1.746365973,0.852213889,16.52932501,37.01955001,39.77443751,39.77443751,31.43458751,15.33985,0.220218789,0.493208311,0.529911443,0.529911443,0.418800331,0.204371515,3.251629167,2.113283334,1.960234029,1.960234029,2.423559029,3.317711112,0.220218789,0.493208311,0.529911443,0.529911443,0.418800331,0.204371515,6.73287657,14.44788584,14.60213276,14.60213276,9.042232759,0.85888249,23.69925001,17.71729375,17.36090278,17.36090278,14.58095278,5.204427778,6,1.632653061,5.333333333,6,2,4,2.12,0.911,2.449489743,2.37841423,0,3.363585661,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.159,0.147,0.088,0.146,2.249,7,3,0,0,0,0,0,0,0,21,1.945910149,2.197224577,1.945910149,0,0,0,0,0,0,0,3.295836866,1.238095238,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,3,0.5,3,0.666666667,0,0,0,0,0,0,0,0,0.6,0.095238095,0,0,0,0,0,0,0,0,0.695238095,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,0,109.6959078,3.584962501,3.218875825,3.80666249,4.634728988,5.252273428,6.084499413,6.708084084,7.5416831,8.166500319,9.000483165,65.41379081,2.397895273,0,3.663561646,0,5.081404365,0,6.532334292,0,7.989899375,8.256088134,84.09390038,4.671883355,10.46599026,1.74433171,0,0,0,28,3,3.166,24,1.219,2.121740888,2.976050395,3.459685345,4.07405775,0,0,0,0,0,72.30904117,95.24692031,69.16051878,15.4841909,4.139503414,0,0,0,0,0,274.3286679,370.6140945,410.285089,197.8143536,126.6369699,0,0,0,0,0,8.860546952,15.10169822,21.23438463,23.67453541,27.37141033,0,0,0,0,0,2.086978642,2.920995711,3.655414286,2.26010113,1.811378651,0,0,0,0,0,175.1912326,329.1418037,453.4979336,605.4450588,753.3651933,0,0,0,0,0,3.060529412,4.295449187,6.73112311,5.17692134,4.07405775,0,0,0,0,0,0.432999265,0.6112891,0.778667145,0.502763447,0.417183514,0,0,0,0,0,335.9896691,126.874683,10.67879275,105.8876095,-39.98473203,-6.701505292,230.1020596,166.859415,17.38029804,0.760368739,0.287126515,0.024166875,0.239631261,-0.090488319,-0.015165988,148.4662006,56.06303964,4.718715879,46.7893287,-17.66834457,-2.961242921,0.151369829,0.270458775,4.282873031,4.984260349,441.8772786,0,1,0,331.0578085,18.19499405,6.917799096,447.9391783,21.16457366,7.651378443,537.7963945,23.19043756,8.132160886,1.261634404,1.046346666,184.3227132,181.6081837,110.7545456,1.014947176,1.664245131,1.639735712,3.400819811,3.202420028,5.261876621,0.64309384,3.591793317,3.914899098,3.80939856,14.20215815,5.409798528,4.950629215,7.378137317,3.651959499,0.876159451,0.006350349,3.46E-24,3.76E-67,8.06E-132,3.41E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.301445031,3.914692083,0.165630573,6.998403852,2.05385036,0.254348843,0.33346884,0.11706845,0.006170864,4.47E-05,2.44E-26,2.65E-69,5.68E-134,2.40E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.973075264,3.914706317,0.636194058,8.148183727,2.342381706,0.920233596,1.263423184,0.502722304,0.06430515,4.66E-04,2.54E-25,2.76E-68,5.92E-133,2.50E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390360553,3.914876511,3.489678022,13.6477106,5.064085033,4.559569466,6.767149703,3.316728267,0.780642298,0.005658047,3.09E-24,3.35E-67,7.18E-132,3.04E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.434128364,3.914724408,1.040342024,9.032682145,2.658175287,1.46425907,2.052647167,0.867195101,0.139679376,0.001012387,5.52E-25,5.99E-68,1.29E-132,5.44E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.337608177,3.914993983,5.102920519,16.38382917,6.849080084,6.516128451,9.844405801,5.028089834,1.277796212,0.009261388,5.05E-24,5.48E-67,1.18E-131,4.98E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.896350131,2.406801239,1.27391149,9.556537797,3.807983562,2.127455247,3.040034627,1.315610492,0.210190693,0.001523449,8.31E-25,9.01E-68,1.93E-132,8.19E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.092492322,1.247639703,1.10663235,0.470565145,0.280572479,0.411198356,0.447884561,0.416315303,4.446764374,6.306974649,13.64279809,0.205847717,1.27539822,1.529798601,0.678356489,0.64229622,0.536686452,0.237982135,0.218891299,0.132806647,0.14024299,2.85045131,2.456038475,5.973031922,0.305029679,0.491940936,1.75143592,0.906302779,0.826716346,0.502642708,0.260098858,0.286712692,0.237244378,0.232340366,3.484455045,3.784527267,8.581254996,0.253964062,0.756297436,2.078374949,1.233732444,1.095136768,0.471581531,0.279932856,0.405533514,0.438076903,0.407710801,4.40724416,6.191369189,13.40671772,0.207372297,1.251321218,1.851010025,1.007127044,0.908919536,0.491367723,0.267351184,0.320453635,0.292823756,0.280843079,3.767056604,4.462018872,9.923485324,0.237051584,0.894120471,2.136751205,1.291118479,1.142621928,0.467510147,0.282490066,0.42925659,0.479196195,0.443834687,4.570491612,6.675558033,14.39831384,0.20126522,1.352287472,2.091935876,1.231624594,1.093033113,0.473653696,0.278863013,0.410665732,0.436737589,0.406145589,4.416593583,6.20924132,13.4420125,0.210480545,1.253548909 +UMLYSI0191,L,decanal,CCCCCCCCCC=O,saturated aldehyde,C10H20O,112-31-2,8175,PubChem,,52.8,0,-2.1223,4.50415729,37.123,31.73786,0,0,31,11,20,0,10,0,1,0,0,0,0,0,0,0,1718.930491,1732.682838,1809.435821,1658.27194,1461.515211,1264.758482,1068.001753,871.245024,674.488295,5073.234683,6409.113945,8245.317725,8221.961599,7215.163254,6208.364909,5201.566564,4194.768219,3187.969874,223.126156,220.251168,409.967036,551.38876,488.50386,425.61896,362.73406,299.84916,236.96426,37.4244621,48.7103262,69.1636451,73.57065847,64.54912961,55.52760075,46.50607189,37.48454303,28.46301417,5151.747887,4356.943487,8899.388344,12968.22937,11489.27422,10010.31906,8531.363909,7052.408754,5573.453599,95,67.75,104,127.75,115.5,103.25,91,78.75,66.5,55.44937068,57.7560946,31.74448809,21.25989667,21.18137987,21.07930803,20.94121084,20.74392914,20.43903924,163.6527317,213.6371315,144.6546969,105.4097641,104.5675834,103.4727485,101.9915013,99.87543379,96.6051477,7.197617935,7.3417056,7.19240414,7.069086667,7.079766087,7.093649333,7.112432549,7.139265714,7.180735152,1.207240713,1.62367754,1.213397282,0.94321357,0.935494632,0.925460012,0.911883763,0.89248912,0.862515581,166.1854157,145.2314496,156.1296201,166.259351,166.5112206,166.8386511,167.2816453,167.9144941,168.8925333,3.064516129,2.258333333,1.824561404,1.637820513,1.673913043,1.720833333,1.784313725,1.875,2.015151515,0.154462656,-0.027092645,-0.048562385,-0.004161137,-2.43E-04,-1.09E-05,-4.00E-05,-2.67E-04,-7.56E-04,931.1885439,-48.58179936,-412.2036393,14.07489155,12.87409977,11.67330799,10.47251621,9.271724433,8.070932653,1517.384343,-97.40685807,-736.1696503,7.73595656,7.575941204,7.415925847,7.25591049,7.095895134,6.935879777,1.146603871,-0.004909036,-0.108509956,0.004139421,-0.005426681,-0.014992783,-0.024558884,-0.034124986,-0.043691088,6.747894052,-0.455935989,-3.208749072,-0.026404388,-0.026775989,-0.027147591,-0.027519192,-0.027890794,-0.028262395,37.06387345,-2.510753722,-17.29752716,-0.251015717,-0.256994319,-0.262972921,-0.268951523,-0.274930125,-0.280908726,35.35483871,2.019510926,-2.023413111,-0.28798127,-0.72528616,-1.162591051,-1.599895942,-2.037200832,-2.474505723,0.004982666,-9.03E-04,-8.52E-04,-5.33E-05,-3.53E-06,-1.81E-07,-7.85E-07,-6.37E-06,-2.29E-05,30.03834012,-1.619393312,-7.231642795,0.180447328,0.186581156,0.194555133,0.205343455,0.220755344,0.244573717,48.94788204,-3.246895269,-12.91525702,0.09917893,0.109796249,0.123598764,0.142272755,0.168949884,0.210178175,0.036987222,-1.64E-04,-0.001903683,5.31E-05,-7.86E-05,-2.50E-04,-4.82E-04,-8.12E-04,-0.001323972,0.217674002,-0.015197866,-0.056293843,-3.39E-04,-3.88E-04,-4.52E-04,-5.40E-04,-6.64E-04,-8.56E-04,1.195608821,-0.083691791,-0.303465389,-0.00321815,-0.003724555,-0.004382882,-0.005273559,-0.006545955,-0.008512386,1.140478668,0.067317031,-0.035498476,-0.003692068,-0.010511394,-0.019376518,-0.031370509,-0.048504782,-0.074985022,-0.181245966,-0.170987102,-0.010706698,-7.08E-04,-3.63E-05,-1.58E-04,-0.001277728,-0.004598329,-0.053910879,-0.240747084,0.006007234,0.006211434,0.006476894,0.006836045,0.007349119,0.008142052,-0.066333723,-0.263857321,0.002026215,0.002243126,0.00252511,0.002906617,0.003451628,0.004293918,-0.004424083,-0.051468679,0.001434806,-0.002126344,-0.006755839,-0.013019274,-0.021967037,-0.0357954,-0.069819391,-0.258615374,-0.00155516,-0.001782748,-0.002078612,-0.0024789,-0.003050739,-0.00393449,-0.069999309,-0.253816619,-0.002691641,-0.003115196,-0.003665816,-0.004410773,-0.005474998,-0.007119708,0.059025243,-0.031125944,-0.003237296,-0.009216651,-0.016989811,-0.027506441,-0.042530196,-0.065748728,0.998932492,0.879943398,0.688557934,0.730678206,0.798218798,0.890603603,1.023504782,1.230716464,1.308663181,1.299700197,0.896182341,0.900021475,0.905012348,0.911764706,0.921410931,0.936318735,1.495005851,1.426013968,0.938535658,0.931939916,0.923365452,0.911764706,0.895192212,0.869580176,0.566361249,0.644026395,0.64388544,0.70988468,0.795683691,0.911764706,1.077594727,1.333877488,1.547290868,1.443061498,0.940337907,0.933298133,0.924146427,0.911764706,0.894076533,0.866740267,1.549989628,1.436838394,0.936537923,0.930434377,0.922499767,0.911764706,0.896428905,0.872728121,0.473768248,0.586162601,0.61872719,0.693281895,0.790203011,0.92133158,1.108658107,1.398162741,80.3661561,40.30807805,64.75143341,80.57070156,7.324609233,40.30807805,0.25,0.043996813,0.00399971,-3.436001895,88.21730128,8.019754662,4.927783414,80.36825194,40.30875876,64.7523398,80.57219651,7.324745137,40.30875876,0.249265579,0.043973441,0.003997586,-3.436586389,88.23739058,8.021580962,4.928033883,82.22997801,40.91549176,65.56964152,81.90352798,7.445775271,40.91549176,-0.398994478,0.022670429,0.002060948,-4.165363273,125.0160641,11.36509673,5.311286466,80.37045157,40.30947318,64.75329111,80.5737655,7.324887772,40.30947318,0.2484948,0.04394891,0.003995355,-3.437200199,88.25849811,8.023499828,4.928296986,84.21581971,41.56676272,66.46965466,83.33030622,7.575482384,41.56676272,-1.082294264,0.001322223,1.20E-04,-7.291284807,134.4952682,12.22684257,5.39168192,80.58567977,40.37940698,64.84653485,80.72733501,7.338848637,40.37940698,0.173134186,0.041541545,0.003776504,-3.499167394,90.4472022,8.222472927,4.955242907,87.31056954,43.57492335,70.75067093,87.71663015,7.974239104,43.57492335,0.638095238,0.073802989,0.006709363,-2.866991655,70.56883304,6.415348458,4.682247448,0,11.98857634,16.0059258,-0.38946533,0.206363515,3.445610496,7.424982072,10,30,29,29,9,1,1,0,0,1,22.82214,3.529587095,3.38838306,3.144759607,2.815946805,2.434890986,2.044139102,1.688564691,1.403835106,1.927961992,1.798926525,1.600622471,1.360085143,1.113457943,0.895652463,0.727169046,0.610557096,3.546548199,3.38723096,3.133335481,2.806032899,2.437839772,2.069781409,1.743470595,1.488717986,1.871106087,1.743428752,1.544793552,1.299042345,1.040026739,0.803634626,0.614625959,0.479637695,3.67431537,3.536433112,3.312997252,3.023591371,2.701396455,2.387531563,2.119573297,1.918458806,1.692416999,1.542256976,1.308321664,1.016178742,0.701498387,0.404645932,0.158855228,0.021135863,3.565322638,3.403052549,3.147338459,2.821820428,2.460533489,2.10480406,1.794689027,1.556455873,1.835679144,1.710445975,1.512016465,1.261610372,0.992177702,0.741001131,0.53628198,0.388002323,3.730963842,3.592619931,3.37400145,3.097261084,2.796026199,2.509747386,2.271432718,2.096123081,1.638066628,1.485702424,1.245923628,0.942195508,0.608729735,0.286343716,0.012019311,0.193709994,5.069871787,3.551639305,3.376575591,3.091653738,2.735096389,2.360644701,2.021838694,1.755469448,1.802960442,1.626147308,1.365748083,1.064874421,0.767251445,0.507297093,0.305306498,0.165351802,0,0,1,0,0,1,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.363961031,5.414213562,3.474873734,2.207106781,1.383883476,0.853553391,0.515165043,0.301776695,0.760360094,0.541421356,0.386097082,0.275888348,0.197697639,0.142258898,0.103033009,0.075444174,7.642452809,4.851057332,3.076662145,1.925528666,1.184777682,0.712764333,0.415612146,0.231382167,0.694768437,0.485105733,0.341851349,0.240691083,0.169253955,0.118794056,0.083122429,0.057845542,16.13307714,30.20903132,28.60392157,29,18.46578443,238.4370719,0.520421843,0.974484881,0.922707147,0.935483871,0.595670466,7.691518447,3.326,48.674,41.63839023,66.32546527,83.27678045,7.570616405,41.63839023,5.55E-17,5.05E-18,-41.17294253,2000029.956,181820.9051,15.95953999,150,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,9,1,0,1,0,0,0,0,0,0,0,0,1,0,8,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.940044835,1.019883866,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.562558067,0,0,2.322482175,0.401388889,0,0.562558067,0,0,0,0,0,0,0,0,2.228561552,0,9.811509747,0,1.019883866,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.940044835,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.940044835,1.019883866,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.562558067,0,0,0.212830579,0.401388889,0,0.562558067,0,0,0,0,0,0,0,0,2.228561552,0,0.757716049,0,1.019883866,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.940044835,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.940044835,1.019883866,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.562558067,0,0,0.401388889,0.401388889,0,0.562558067,0,0,0,0,0,0,0,0,2.228561552,0,1.372608418,0,1.019883866,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.940044835,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23,2.090909091,0.614959758,9.940044835,0.212830579,0.757716049,5.977453771,0.980116134,2.940044835,6.337212774,0.980116134,2.940044835,6.337212774,5.33333,0.48485,0,0.01515,0.46667,0.7697,0.42571,0.46667,0.7697,0.04095,0,-0.04095,0,0.62992,0.08437,0,0.15625,0,0,6.75,0.61364,5.25,0.47727,1.5,0.13636,-3.75,-0.34091,0,0,10.36049,0.94186,12.33112,1.97063,0.17915,4.67274,0.42479,5.41421,0.74147,0.06741,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,10.01,1,1,1,1,0,0,0.9,1.094265896,1.716708981,2.577825443,3.124226764,3.126098424,2.694397994,33.92224278,53.21797841,79.91258874,96.85102967,96.90905116,83.52633782,0.220876572,0.34651614,0.520331711,0.630622318,0.631000112,0.543861774,3.859930414,3.237487329,2.376370867,1.829969547,1.828097886,2.259798316,0.220876572,0.34651614,0.520331711,0.630622318,0.631000112,0.543861774,9.285756372,14.72402471,17.73423447,18.58799508,17.61303605,14.16744018,41.02908987,32.89992594,28.85242083,27.10661463,29.45745103,35.43816692,11,10,10,11,1,10,2.45,1.5333,0,2.170156537,0,0,13.18512474,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.423,0.415,0.622,0.171,5.407,9,8,7,6,5,4,3,2,1,66,2.48490665,2.397895273,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,4.343805422,1.151515152,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0.8,9,0.9,0,5,10,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0.02,0,0.05,0.024691358,0.015625,0.011428571,0.009259259,0.008163265,0.0078125,0.008230453,0.01,0,0.145210407,41.63839023,66.32546527,83.27678045,7.570616405,41.63839023,5.55E-17,5.05E-18,-41.17294253,2000029.956,181820.9051,15.95953999,17.07,187.670073,4.459431619,3.663561646,4.290459441,4.934473933,5.579729826,6.232448017,6.884486652,7.540621529,8.195609567,8.853236765,77.17462738,3.044522438,0,4.043051268,0,5.176149733,0,6.371611847,0,7.601402335,7.954372273,156.1514153,5.037142428,20.82876223,1.893523839,2.413404552,2.413404552,0,220,8,4.57,38,1.2387,2.145215875,2.869277176,3.606413531,4.949171327,5.961515503,7.286359291,8.384588951,9.688521115,10.80529586,82.56821621,75.79817933,74.48768692,99.31098588,124.5336307,149.155292,173.1712458,195.4890052,214.3959799,223.9496239,290.6317085,331.0554814,334.1619163,447.0710749,566.3856585,679.0170074,786.4347362,875.8519253,932.4552189,889.5938813,9.127056859,15.47999791,20.35452702,25.79517765,35.29619323,42.69663547,52.27182556,60.55335548,70.61550673,80.61587863,2.153127559,2.726767264,2.880657207,3.814099822,4.901746521,5.873666714,6.848789633,7.62356101,8.135837299,7.714451436,177.6647257,331.6048403,473.4348594,586.1174297,816.5318838,983.0294217,1212.943555,1403.016829,1643.274458,1875.492269,2.853708333,4.012557234,4.86334076,6.549368083,8.922487081,11.26550125,14.24696033,17.72395642,22.92712673,33.41734495,0.45415175,0.587689561,0.631175624,0.837399554,1.084580666,1.308796243,1.543955595,1.748189724,1.927571323,1.98817245,418.1222566,308.1782424,15.25159964,101.2034785,-74.59232226,-18.86098243,316.9187782,382.7705646,34.11258206,0.805125239,0.593419932,0.02936808,0.194874761,-0.143633017,-0.036318213,217.1416483,160.0448922,7.920548192,52.55757084,-38.73771259,-9.794993563,0.162382543,0.410881537,4.401985734,21.5540519,466.8676664,52.45806869,0.89898812,0.10101188,691.4645869,26.29571423,8.842803632,885.2053085,29.75240005,9.601697141,1093.505747,33.06819843,10.30244623,3.562801136,3.562801136,2498.010685,2466.659729,61.35566875,1.012709883,40.71360864,40.20263783,5.394360596,6.901696073,12.91243007,0.870906793,5.591226105,8.580330949,3.827844953,37.32339671,15.83426281,0.420716332,6.121624122,6.676325167,24.9701061,0.717285818,1.633421536,19.0136322,2.555666907,19.08719825,1.353462878,1.181833639,6.02394101,2.31714353,5.975524051,1.916716426,2.391660886,0.001073226,0.732214105,0.014822667,0.928948326,2.03E-15,8.56E-52,6.96E-110,1.09E-189,3.30E-291,0.485726627,8.57999883,0.313775394,8.331841632,0.114037877,0.465337784,0.87195507,0.18419951,6.485858755,0.023586979,0.70873183,1.247744895,0.077196361,4.274836633,0.057193578,0.941542456,0.19484528,0.04336222,1.662431599,0.091542332,1.203879849,1.07E-04,0.079014547,0.019744116,0.10384524,2.27E-16,9.57E-53,7.78E-111,1.22E-190,3.69E-292,1.520606839,8.579903892,0.872342932,10.26291429,1.168314352,0.254923356,1.929177352,0.842425379,8.823545466,0.100264918,0.462263827,4.204245994,0.33959683,6.562967406,0.221786918,0.607173446,0.827303388,0.239358699,2.432526465,0.341183037,0.95029491,2.17E-04,0.142644565,0.010595184,0.179889928,3.93E-16,1.66E-52,1.35E-110,2.11E-190,6.39E-292,5.282772189,8.580353066,3.894326238,34.27976054,14.11035537,0.528270019,5.844750802,6.042937888,23.98696382,0.65185125,1.690820597,17.68934933,2.317802928,18.49941123,1.238728501,1.411438766,5.469913276,2.083122073,5.963495948,1.761496882,2.675777254,9.84E-04,0.900712663,0.019723965,1.16679358,2.55E-15,1.07E-51,8.74E-110,1.37E-189,4.14E-291,2.233519278,8.579892192,1.217275237,12.7788025,2.531601073,0.179320115,2.646615911,1.492309804,10.70350539,0.172178243,0.434632889,6.432616262,0.592029738,8.212966134,0.364468005,0.497418211,1.426962661,0.453519425,2.924321752,0.549049931,0.909732119,3.19E-04,0.147934608,0.007118405,0.178124646,3.89E-16,1.64E-52,1.33E-110,2.09E-190,6.33E-292,6.75223827,8.580554795,4.983004782,50.53814543,23.08525867,0.526434722,7.348875144,9.289379499,31.70682915,0.985637676,2.247234745,24.18719858,3.534208771,23.81283152,1.818441354,1.468481986,8.299181965,3.291402072,7.195501581,2.540796999,3.028470422,0.001441086,1.059467454,0.017926349,1.356737233,2.96E-15,1.25E-51,1.02E-109,1.59E-189,4.82E-291,3.558526647,8.110500392,4.314136493,20.13577617,6.195981916,1.458945934,4.228565499,2.95643962,19.49069307,0.327277905,2.610909683,10.80101763,1.148703193,16.06567745,0.649778591,3.305239483,2.875895836,0.973858142,6.740132076,0.94698381,5.194704751,6.50E-04,1.882678856,0.081061222,2.540093079,5.55E-15,2.34E-51,1.90E-109,2.98E-189,9.02E-291,14.03772146,0.813081584,0.480189489,0.915643356,0.053035156,0.540438261,0.641387336,0.580636226,15.33099253,18.54501232,39.35679778,0.873465035,1.762461823,16.3112787,0.296788119,0.096020075,0.976484306,0.017767396,0.730077812,0.084908149,0.02321683,16.70408689,6.43570155,23.60462102,0.964726459,0.83820279,14.36844078,0.509253052,0.249970307,0.949812254,0.033663694,0.56632933,0.251097846,0.157345989,15.12766414,11.03615403,27.99289399,0.924718382,0.974773166,14.43789762,0.791331186,0.46512749,0.919942006,0.050421385,0.57171958,0.607314543,0.54478212,15.6943563,18.50869161,39.51720327,0.87991301,1.723816243,13.76491058,0.606715897,0.321870476,0.936802902,0.041291457,0.519687241,0.356862342,0.260880197,14.69349696,12.97719233,30.35875519,0.905204352,1.137429781,14.1148144,0.849654432,0.508362231,0.912232179,0.054912668,0.546383342,0.700439651,0.650766793,15.47283107,19.60008539,41.16955962,0.868348269,1.897589787,14.57465553,0.791022182,0.465422001,0.920634434,0.049966344,0.582596448,0.606881816,0.545472231,15.83109971,18.68040028,39.87729243,0.880951652,1.734950495 +UMLYSI0192,L,"2,2-dimethylhexane",CCCCC(C)(C)C,linear alkanes,C8H18,590-73-8,11551,PubChem,,52.8,0,1.0939,1.19661721,35.7141,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1604.188161,1268.257373,899.29594,675.105483,236.216736,27.433728,0,3947.642614,5029.877407,7031.587075,7601.168051,5927.879111,4081.819666,2624.766494,839.2610996,0,181.25648,180.900988,339.464772,444.936884,556.265488,311.98206,249.049728,181.398528,0,30.31423229,39.56609758,58.49435701,69.16503031,60.10728459,39.0812073,28.04682987,12.00454843,0,4342.872585,3643.766351,7589.85513,9960.211008,14046.34434,7574.612576,6084.723595,4992.776605,0,42.3125,49.875,77.375,106.375,103,65.25,54,27,0,45.09238923,49.11105724,33.42058669,20.13106941,11.10241901,15.00234407,6.561576,1.016064,0,151.8324082,201.1950963,146.4913974,120.6534611,73.18369273,90.70710369,72.9101804,31.08374443,0,6.971403077,7.23603952,7.07218275,7.062490222,6.86747516,6.932934667,6.918048,6.718464,0,1.165932011,1.582643903,1.218632438,1.097857624,0.742065242,0.868471273,0.779078607,0.444612905,0,167.033561,145.7506541,158.1219819,158.0985874,173.4116585,168.3247239,169.0200999,184.917652,0,1.627403846,1.995,1.611979167,1.688492063,1.271604938,1.45,1.5,1,0,0.035536039,-0.007787753,0.007856318,-0.035923679,0.015800727,0.002828614,-0.015115395,0.014573148,0,670.5194345,-58.02572029,75.2185263,-684.1304059,295.1431699,-15.04370526,-257.8920902,309.4705082,0,1246.859521,-107.9013047,139.8720616,-1272.169703,548.8313274,-27.97441232,-479.5613541,575.4736249,0,0.131350154,-0.01136684,0.014734793,-0.13401645,0.057816521,-0.002946959,-0.05051929,0.060623148,0,5.574042193,-0.482369036,0.625293195,-5.687190485,2.453531393,-0.125058639,-2.143862382,2.572634858,0,30.27828566,-2.620236259,3.396602558,-30.89290898,13.32762147,-0.679320512,-11.64549448,13.97459338,0,3.540865385,-1.98881287,2.414940828,-3.916327663,1.233265533,1.386002219,-2.220044379,1.320543639,0,0.001366771,-3.12E-04,1.64E-04,-5.70E-04,1.95E-04,6.29E-05,-4.20E-04,5.40E-04,0,25.78920902,-2.321028812,1.567052631,-10.85921279,3.643742838,-0.334304561,-7.163669172,11.46187067,0,47.95613541,-4.316052187,2.914001283,-20.19316989,6.7756954,-0.621653607,-13.32114872,21.31383796,0,0.005051929,-4.55E-04,3.07E-04,-0.002127245,7.14E-04,-6.55E-05,-0.001403314,0.002245302,0,0.214386238,-0.019294761,0.013026942,-0.090272865,0.030290511,-0.002779081,-0.059551733,0.095282773,0,1.164549448,-0.10480945,0.070762553,-0.490363635,0.164538537,-0.015096011,-0.323485958,0.517577533,0,0.13618713,-0.079552515,0.050311267,-0.062163931,0.0152255,0.030800049,-0.061667899,0.048909024,0,-0.227916871,0.11975182,-0.417200276,0.142723797,0.045990225,-0.307200093,0.394906202,0,-0.09,0.060763889,-0.421075838,0.141289438,-0.012962963,-0.277777778,0.444444444,0,-0.09,0.060763889,-0.421075838,0.141289438,-0.012962963,-0.277777778,0.444444444,0,-0.09,0.060763889,-0.421075838,0.141289438,-0.012962963,-0.277777778,0.444444444,0,-0.09,0.060763889,-0.421075838,0.141289438,-0.012962963,-0.277777778,0.444444444,0,-0.09,0.060763889,-0.421075838,0.141289438,-0.012962963,-0.277777778,0.444444444,0,-0.584141208,0.369427472,-0.45645966,0.111798379,0.226159765,-0.452817379,0.359131025,0,1.763283632,0.940820702,1.593279874,0.603326428,0.881922287,1.300651208,9.25E-05,0,1.625,1.128472222,1.57627866,0.612997257,0.902777778,1.128472222,0,0,1.625,1.128472222,1.57627866,0.612997257,0.902777778,1.128472222,0,0,1.625,1.128472222,1.57627866,0.612997257,0.902777778,1.128472222,0,0,1.625,1.128472222,1.57627866,0.612997257,0.902777778,1.128472222,0,0,1.625,1.128472222,1.57627866,0.612997257,0.902777778,1.128472222,0,0,2.188730482,0.478049332,1.747594263,0.542061636,0.66191446,1.765105227,0,0,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,36.82652664,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,-1.78E-14,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,47.85390908,23.80195454,37.41143796,47.66640908,5.958301135,23.80195454,-0.25,0.129772204,0.016221526,-1.633579713,75.72511441,9.465639302,3.461687894,0,11.89,12.11011416,-0.159448846,0.061790222,5.205589227,8.7472726,7,25,25,25,7,0,0,0,0,0,19.677726,3.57125256,3.191579358,2.54473899,2.333552793,2.333552793,1.812824763,1.254133619,0.464899437,1.945383925,1.719364226,1.311224379,1.249629723,1.249629723,0.866487835,0.57735301,0.083923071,3.595612306,3.227979241,2.601081114,2.405454588,2.405454588,1.896469961,1.368377689,0.569922726,1.889120504,1.644385963,1.209577427,1.134540686,1.134540686,0.736565279,0.425224355,0.270913902,3.70435032,3.387219397,2.842426826,2.704236987,2.704236987,2.243648668,1.823342829,0.966354442,1.726357108,1.418750942,0.889018129,0.76031856,0.76031856,0.308479981,0.094855811,0.943918427,3.613648314,3.254768858,2.642312746,2.457539916,2.457539916,1.957099657,1.450028521,0.643703622,1.853519995,1.596162629,1.142952992,1.058262671,1.058262671,0.649998988,0.322540888,0.399277246,3.758199523,3.463942957,2.955034526,2.838982085,2.838982085,2.399146568,2.018070404,1.207644823,1.676557494,1.347053394,0.782465777,0.631337262,0.631337262,0.159166486,0.284658169,1.124415117,3.592511384,3.288705391,2.710328052,2.629038207,2.629038207,2.021910218,1.534677028,0.640305431,1.864826249,1.54234601,1.046084893,0.883583662,0.883583662,0.548613506,0.204748666,0.581818182,0,0,0,0,0,4,3,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.560660172,0.353553391,0,0,0.75,0.780330086,0.707106781,0.75,0.780330086,0.707106781,6.621320344,3.560660172,3.664213562,1.280330086,0.707106781,0.530330086,0,0,0.827665043,0.508665739,0.40713484,0.256066017,0.176776695,0.176776695,0,0,6.621320344,3.560660172,3.664213562,1.280330086,0.707106781,0.530330086,0,0,0.827665043,0.508665739,0.40713484,0.256066017,0.176776695,0.176776695,0,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,56,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,4,0,3,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,9.124722222,0,4.073680556,0,0,0,0,0,0,0,0,0,0.551597222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.241805556,0,1.330625,0,0,0,0,0,0,0,0,0,0.551597222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.294305556,0,1.378472222,0,0,0,0,0,0,0,0,0,0.551597222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.75,1.71875,0.2,2.294305556,0,0.551597222,6.040535347,0.698402778,0.294305556,2.249444444,0.698402778,0.294305556,2.249444444,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.5,0,0.125,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,9.21764,1.15221,9.21764,0,0,3.56066,0.44508,3.56066,0,0,0.35334,0.04417,0.35334,0.04417,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.266431544,2.82374789,2.556262566,2.270619836,23.15278265,34.39789514,58.92722016,73.41744515,66.46282671,59.03611572,0.189448582,0.281462171,0.482174367,0.60074122,0.543834773,0.483065409,3.809948078,3.377443751,2.434008174,1.876691828,2.144177152,2.429819883,0.191756937,0.284891675,0.488049468,0.608061011,0.550461182,0.488951368,6.648700044,11.83875197,16.17177764,14.72320287,13.56585183,12.20153287,31.72521615,24.13720728,21.00134079,22.66511845,25.17010226,17.61068002,8,3.111111111,7.2,8,0,6,2.34,1.2358,1.897366596,4.669630297,0,2.828427125,2.381101578,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,3.354,9,5,4,3,0,0,0,0,0,36,2.079441542,2.302585093,1.791759469,1.609437912,1.386294361,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,3,0.666666667,0.375,0.24,0,0,0,0,0,0,0.428571429,0.074074074,0.075,0.06,0,0,0,0,0,0,0.637645503,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,0,146.9243357,4,3.496507561,4.110873864,4.934473933,5.579729826,6.408528791,7.065613364,7.89469085,8.556990661,9.385721231,72.43313008,2.708050201,0,3.931825633,0,5.303304908,0,6.736966958,0,8.201111644,8.467792841,114.1408506,4.390032714,14.44048295,1.805060369,0,0,0,71,5,4.868,32,1.2278,2.116401194,2.918587944,3.465007628,4.405258471,5.484764116,6.138480966,0,0,0,71.2221278,80.92015264,64.93105719,47.51698448,79.38511742,38.05173506,6.237089524,0,0,0,272.5498825,339.0696678,368.8246048,281.8680127,446.8544443,415.4553899,190.8069735,0,0,0,8.919363223,15.03311663,20.64646756,23.86982524,30.68595721,38.01811056,41.24116338,0,0,0,2.081648384,2.75612872,3.303131567,2.751356493,4.142634869,4.397490145,2.729247854,0,0,0,176.77647,329.9402209,459.0385968,595.4077814,730.5638275,921.1211796,1135.113487,0,0,0,2.497185,3.568658161,5.001883782,4.544397236,6.732779766,8.413155912,6.138480966,0,0,0,0.4321989,0.579781655,0.705309239,0.598803461,0.892148095,0.964586557,0.628580451,0,0,0,391.5381323,172.283213,9.44649474,156.457041,-68.84366936,-9.456088369,235.0810913,241.1268824,18.90258311,0.714491936,0.314388194,0.017238281,0.285508064,-0.12562824,-0.017255788,214.5610067,94.41036917,5.176633522,85.73770331,-37.72599852,-5.181890785,0.061439737,0.148349132,0.975886085,9.657336922,547.9951733,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,748.8234176,27.36463809,9.080849384,1.797339331,1.797339331,558.7789879,550.8463865,129.478073,1.01440075,4.315626382,4.2543604,4.336544553,4.466158665,7.63628977,0.709811572,5.020209962,6.639770612,3.078537103,25.09560717,6.09810022,6.420934497,6.785246272,14.29731964,5.763973498,4.720457044,4.717288053,0.747575036,2.359766293,1.267677842,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.421311435,6.639327565,0.173783531,9.630483387,1.041256612,0.180591252,0.481350622,0.696664756,2.094706304,0.156213696,0.130201999,0.012978944,0.133620008,0.008928359,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.360044669,6.639357879,0.616724454,11.75333883,1.399740853,0.81897146,1.314231678,2.500080954,2.607983233,0.661929297,0.594717192,0.062150911,0.473789074,0.093040381,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.738668689,6.63972222,2.847651788,23.78308167,5.550182168,5.814119246,6.238759141,13.1205644,5.455961186,4.29035254,4.269560292,0.666952819,2.183070706,1.129478135,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,2.004455605,6.63939654,0.965322037,13.51760064,1.845872048,1.445864917,2.020744317,4.02690442,3.030315586,1.135558726,1.053681534,0.125828036,0.741223166,0.202096141,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.062630571,6.639973935,3.993645313,30.37059326,8.397413259,8.922925757,8.990954092,19.04505166,6.999078908,6.4840317,6.564535788,1.086561589,3.059875882,1.848788995,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.115572728,5.418217405,1.312044094,17.13171527,2.780460653,2.757057474,3.04471913,6.676754047,3.808500971,2.036259648,2.022499939,0.261127894,1.313975984,0.429124665,1.22E-06,2.71E-33,1.16E-81,9.60E-152,1.53E-243,0,0,0,0,0,0,0,0,0,0,0,5.099727857,1.100412859,1.021895088,0.706134391,0.15236879,0.513950869,0.471414498,0.463843564,7.222035804,11.94769945,24.90441235,0.559201587,1.44920893,4.294087041,0.602893026,0.532345256,0.790906197,0.11104382,0.365308142,0.141786134,0.125876798,5.429325323,5.195759236,12.00325995,0.686359295,0.632971075,4.626048027,0.808042386,0.734117984,0.749982447,0.131001149,0.423497885,0.254524111,0.23938153,6.168208397,7.727306386,16.63967929,0.62497367,0.917403526,5.080949681,1.088829808,1.010489485,0.70762665,0.151641925,0.510198864,0.461569358,0.453547219,7.180268973,11.76678676,24.53737606,0.561439975,1.425315441,4.768795642,0.896193276,0.820858114,0.735261812,0.138176752,0.449837896,0.312974651,0.299291996,6.485847033,8.923914712,18.91791445,0.602892718,1.062104543,5.158158539,1.136451264,1.057383672,0.701599989,0.154577295,0.525713478,0.502704884,0.496619892,7.351993474,12.51781341,26.06818552,0.552399983,1.525038254,5.094696684,1.0909593,1.013817623,0.707648498,0.151533204,0.5129135,0.463324537,0.456539737,7.199473607,11.82923378,24.66361394,0.561472747,1.432777774 +UMLYSI0193,L,2-decanone,CCCCCCCCC(=O)C,saturated alkanone,C10H20O,693-54-9,12741,PubChem,,51.9,0,-1.8958,3.59405764,38.6879,31.73786,0,0,31,11,20,0,10,0,1,0,0,0,0,0,0,0,1718.930491,1732.682838,1963.29077,1700.556532,1461.515211,1264.758482,1068.001753,871.245024,674.488295,5073.234683,6409.113945,8298.727852,8281.500024,7215.163254,6208.364909,5201.566564,4194.768219,3187.969874,223.126156,220.251168,409.731416,539.49148,488.50386,425.61896,362.73406,299.84916,236.96426,37.4244621,48.7103262,68.6303543,72.507285,64.54912961,55.52760075,46.50607189,37.48454303,28.46301417,5151.747887,4356.943487,8931.137604,12414.27629,11489.27422,10010.31906,8531.363909,7052.408754,5573.453599,95.52777778,67,110.0833333,143.3333333,116.0833333,103.8333333,91.58333333,79.33333333,67.16666667,55.44937068,57.7560946,34.44369772,22.67408709,21.18137987,21.07930803,20.94121084,20.74392914,20.43903924,163.6527317,213.6371315,145.5917167,110.4200003,104.5675834,103.4727485,101.9915013,99.87543379,96.6051477,7.197617935,7.3417056,7.188270456,7.193219733,7.079766087,7.093649333,7.112432549,7.139265714,7.180735152,1.207240713,1.62367754,1.204041304,0.9667638,0.935494632,0.925460012,0.911883763,0.89248912,0.862515581,166.1854157,145.2314496,156.6866246,165.5236839,166.5112206,166.8386511,167.2816453,167.9144941,168.8925333,3.081541219,2.233333333,1.93128655,1.911111111,1.68236715,1.730555556,1.795751634,1.888888889,2.035353535,0.142801815,-0.042909886,8.01E-04,-0.033954745,0.001712889,6.55E-05,-2.77E-04,-7.76E-04,0.002472529,931.1885439,-48.58179936,-202.8832772,-216.0920218,12.87409977,11.67330799,10.47251621,9.271724433,8.070932653,1517.384343,-97.40685807,-522.0635174,-212.0783312,7.575941204,7.415925847,7.25591049,7.095895134,6.935879777,1.146603871,-0.004909036,0.067964108,-0.284414527,-0.005426681,-0.014992783,-0.024558884,-0.034124986,-0.043691088,6.747894052,-0.455935989,-2.744079964,-0.482144718,-0.026775989,-0.027147591,-0.027519192,-0.027890794,-0.028262395,37.06387345,-2.510753722,-15.58132974,-1.910459195,-0.256994319,-0.262972921,-0.268951523,-0.274930125,-0.280908726,35.41935484,-0.153139091,4.075702393,-7.839836975,-0.772112383,-1.231009365,-1.689906348,-2.14880333,-2.524366979,0.00460651,-0.00143033,1.41E-05,-4.53E-04,2.48E-05,1.09E-06,-5.42E-06,-1.85E-05,7.49E-05,30.03834012,-1.619393312,-3.559355741,-2.881226958,0.186581156,0.194555133,0.205343455,0.220755344,0.244573717,48.94788204,-3.246895269,-9.159009077,-2.827711082,0.109796249,0.123598764,0.142272755,0.168949884,0.210178175,0.036987222,-1.64E-04,0.001192353,-0.003792194,-7.86E-05,-2.50E-04,-4.82E-04,-8.12E-04,-0.001323972,0.217674002,-0.015197866,-0.048141754,-0.006428596,-3.88E-04,-4.52E-04,-5.40E-04,-6.64E-04,-8.56E-04,1.195608821,-0.083691791,-0.273356662,-0.025472789,-0.003724555,-0.004382882,-0.005273559,-0.006545955,-0.008512386,1.142559834,-0.005104636,0.071503551,-0.10453116,-0.011190035,-0.020516823,-0.033135419,-0.051161984,-0.076495969,-0.310501766,0.003051247,-0.098280459,0.005389,2.37E-04,-0.001177019,-0.004012877,0.016265053,-0.053910879,-0.118493756,-0.095918315,0.006211434,0.006476894,0.006836045,0.007349119,0.008142052,-0.066333723,-0.187117577,-0.057769835,0.002243126,0.00252511,0.002906617,0.003451628,0.004293918,-0.004424083,0.032236884,-0.10252713,-0.002126344,-0.006755839,-0.013019274,-0.021967037,-0.0357954,-0.069819391,-0.221164463,-0.029533138,-0.001782748,-0.002078612,-0.0024789,-0.003050739,-0.00393449,-0.069999309,-0.228633862,-0.021305287,-0.003115196,-0.003665816,-0.004410773,-0.005474998,-0.007119708,-0.004467719,0.062581887,-0.091488565,-0.009793828,-0.017956891,-0.029001036,-0.044778385,-0.06695139,1.1382458,0.806030671,1.164164628,0.732422623,0.801902944,0.89225752,1.022399043,1.204928491,1.308663181,1.172257536,1.076831727,0.900021475,0.905012348,0.911764706,0.921410931,0.936318735,1.495005851,1.33942913,1.009073573,0.931939916,0.923365452,0.911764706,0.895192212,0.869580176,0.566361249,0.563511276,1.259824109,0.70988468,0.795683691,0.911764706,1.077594727,1.333877488,1.547290868,1.393232872,0.979576903,0.933298133,0.924146427,0.911764706,0.894076533,0.866740267,1.549989628,1.398673661,0.974005663,0.930434377,0.922499767,0.911764706,0.896428905,0.872728121,0.541135398,0.49593759,1.254493018,0.694576437,0.791704614,0.923113325,1.110840056,1.398824309,77.29756852,38.77378426,62.38166989,77.50211398,7.045646725,38.77378426,0.25,0.096117174,0.008737925,-2.576406,62.89980725,5.718164295,4.555697409,77.29955341,38.77440949,62.38246215,77.50349798,7.045772543,38.77440949,0.249265579,0.09609761,0.008736146,-2.576629914,62.9027365,5.718430591,4.555748635,79.06795532,39.33448042,63.09863965,78.74150529,7.158318663,39.33448042,-0.398994478,0.078255407,0.007114128,-2.802555083,66.0444298,6.004039072,4.609360464,77.30163661,38.7750657,62.38329368,77.50495054,7.045904594,38.7750657,0.2484948,0.096077077,0.00873428,-2.576864979,62.90581204,5.718710185,4.555802417,80.96457563,39.94114068,63.89045929,80.07906214,7.27991474,39.94114068,-1.082294264,0.058100066,0.005281824,-3.13014733,71.20719107,6.473381006,4.692153193,77.50554659,38.83934039,62.4648233,77.64720184,7.058836531,38.83934039,0.173134186,0.094061937,0.008551085,-2.600181988,63.21295785,5.746632532,4.56116024,85.03974571,42.52058033,69.32920627,85.44570531,7.767791392,42.52058033,0.637936508,0.128183627,0.011653057,-2.259720601,58.22540288,5.293218444,4.470753909,0,11.89,15.99491714,-0.299514082,0.19112167,4.110333367,7.446550261,10,30,29,29,9,1,1,0,0,1,22.82214,3.559606876,3.408539264,3.125136313,2.745636502,2.333784762,2.069504065,1.825175099,1.492446354,1.92329271,1.786803022,1.600473849,1.397650495,1.162170216,0.920680025,0.72271523,0.588071008,3.555082252,3.400082043,3.130775166,2.777525288,2.395443566,2.057624018,1.789311596,1.540291956,1.870011615,1.741016161,1.545851769,1.309526086,1.054935977,0.808592463,0.602402555,0.454689943,3.68475764,3.548542592,3.305702314,2.990010419,2.659277501,2.388237332,2.173740424,1.965088814,1.692411742,1.541924375,1.308378477,1.019862753,0.709395949,0.408824055,0.150702514,0.040600344,3.569445612,3.410256454,3.146973028,2.807818998,2.440541325,2.097533461,1.809084176,1.577695302,1.838499466,1.714314642,1.509862278,1.252753527,0.984260792,0.740516434,0.540610721,0.3917211,3.734849169,3.598391979,3.371807627,3.084096693,2.781351522,2.507624415,2.283016953,2.109536588,1.64163091,1.491636624,1.244965366,0.93021021,0.593626122,0.282272932,0.02232424,0.180109587,5.012683234,3.531437283,3.322704705,3.015172723,2.845137143,2.529649912,2.133021849,1.804581973,1.802520918,1.604368122,1.335195012,1.087502727,0.851243727,0.577873247,0.339963575,0.17438154,0,0,0,1,0,2,7,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.144337567,0,0,0,0.288675135,0.204124145,0.144337567,0.102062073,0.072168784,0.051031036,8.527097737,5.27005561,3.950288938,2.135027805,1.332915944,0.817513903,0.489681277,0.283756951,0.775190703,0.527005561,0.395028894,0.266878476,0.190416563,0.136252317,0.097936255,0.070939238,7.857995759,4.764784317,3.219782056,1.882392159,1.154275565,0.691196079,0.400361087,0.22059804,0.714363251,0.476478432,0.321978206,0.23529902,0.164896509,0.115199347,0.080072217,0.05514951,16.13307714,30.20903132,28.60392157,29,18.46578443,238.4370719,0.520421843,0.974484881,0.922707147,0.935483871,0.595670466,7.691518447,3.326,48.674,39.99152904,63.76907803,79.98305808,7.271187098,39.99152904,0.05749322,0.005226656,-3.141697082,68.49554749,6.226867954,4.649445617,139,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,2,0,0,0,0,0,0,0,0,0,0,2,0,7,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.53261141,0.333788449,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.109651597,0.802777778,0,0,0,0,0,0,0,0,0,0,3.890487896,0,8.409778912,0,0,0,0,0,0,0.333788449,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.53261141,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.53261141,0.333788449,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.21558642,0.401388889,0,0,0,0,0,0,0,0,0,0,1.672661643,0,0.783854167,0,0,0,0,0,0,0.333788449,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.53261141,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.53261141,0.333788449,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.217826252,0,1.347293084,0,0,0,0,0,0,0.333788449,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.53261141,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.16666667,2.106060606,0.486401447,10.53261141,0.21558642,0.333788449,5.687140035,1.332878218,3.53261141,7.500875325,1.332878218,3.53261141,7.500875325,5.33333,0.48485,0,0.01515,0.46667,0.7697,0.42571,0.46667,0.7697,0.04095,0,-0.04095,0,0.62992,0.08437,0,0.25,0.09375,0,6.75,0.61364,5.25,0.47727,1.5,0.13636,-3.75,-0.34091,0,0,10.74839,0.97713,12.84545,2.09707,0.19064,4.52767,0.41161,5.27005,0.74238,0.06749,0.14395,0.01309,0.14395,0.01309,0,10.01,1,1,1,1,0,0,0.9,1.094265896,1.665540281,2.872605181,3.461787842,3.535674747,3.122132197,33.92224278,51.63174872,89.05076061,107.3154231,109.6059172,96.7860981,0.220876572,0.336187784,0.579832732,0.698758714,0.713672718,0.630199532,3.859930414,3.288656029,2.081591129,1.492408468,1.418521563,1.832064114,0.220876572,0.336187784,0.579832732,0.698758714,0.713672718,0.630199532,9.285756372,16.141049,19.31124989,21.05571532,19.40875156,17.60903879,41.02908987,29.78051842,26.15066134,22.52464275,25.47625109,29.30338729,11,8.1,10,11,1,10,2.45,1.5333,0.111111111,3.570285614,0.707106781,0,9.333258269,2.070996629,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,5.384,10,8,7,6,5,4,3,2,0,66,2.48490665,2.564949357,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,0,4.343805422,1.151515152,0.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0.7,9,0.9,0,5,9,0.8,1.5,0.444444444,0.25,0.16,0.111111111,0.081632653,0.0625,0.049382716,0,0,0.15,0.044444444,0.03125,0.022857143,0.018518519,0.016326531,0.015625,0.016460905,0,0,0.315482542,39.99152904,63.76907803,79.98305808,7.271187098,39.99152904,0.05749322,0.005226656,-3.141697082,68.49554749,6.226867954,4.649445617,17.07,187.670073,4.459431619,3.713572067,4.343805422,5.030437921,5.680172609,6.371611847,7.029087564,7.721791777,8.383204551,9.076008659,78.34969242,3.044522438,0,4.110873864,0,5.303304908,0,6.552507887,0,7.832410927,8.163940955,156.1514153,5.037142428,20.66210382,1.878373075,2.381009442,2.381009442,0,212,8,3.852,40,1.238233333,2.138402559,2.885397278,3.615322252,4.948622613,5.973843746,7.290608142,8.4027603,9.69999632,10.8717904,82.50089296,82.52997488,77.08602545,97.15434507,121.2368355,145.5127858,168.0691024,189.3571814,205.3133297,93.49027557,290.4340673,334.2766275,348.9964547,443.9831626,563.0286533,674.248933,780.8803421,868.0642636,922.4401945,831.1580282,9.123537952,15.44561789,20.81504538,25.72754641,35.20477566,42.59434178,52.13270785,60.38231836,70.36358011,80.51479039,2.151826072,2.708030207,2.964549668,3.814222897,4.901687731,5.874635519,6.849400766,7.625175167,8.139068207,8.130924842,177.605555,331.4636086,473.9804374,587.7341619,816.19763,985.1857108,1213.403716,1406.13012,1644.832393,1862.952061,2.825144444,4.304893344,5.624884726,6.293527071,8.737886171,10.90842252,13.92718942,17.21593052,23.33901241,27.76539869,0.45388925,0.588851225,0.656920473,0.8325798,1.079896363,1.3015981,1.536052723,1.736541774,1.913004028,1.962563824,490.1907848,336.2352589,14.32782287,208.6690183,-143.1317837,-21.73426389,281.5217665,479.3670427,36.06208676,0.701415052,0.481119757,0.020501713,0.298584948,-0.204807578,-0.031099605,342.5746353,234.9813069,10.01313947,145.830389,-100.0290502,-15.18920338,0.188902598,0.43660449,1.990145207,19.72032429,653.6923237,45.16747934,0.935369756,0.064630244,692.6218749,26.31771029,8.847734213,886.3625965,29.77184234,9.605879632,1146.222823,33.85591267,10.46541249,2.953616116,2.953616116,2187.24123,2122.93966,94.34789852,1.03028893,23.18272334,22.50118649,5.528509119,6.901696073,12.5386895,0.816754805,5.591226105,8.623807335,3.140871039,33.85092645,12.73473974,0.161474183,6.291293063,10.12536001,23.60028831,0.746566276,3.096012047,17.30968698,4.378459787,15.5684234,1.669300675,0.754387497,5.608207659,5.701995895,3.726120515,3.930113469,0.744664613,0.603878848,1.025249449,2.526881962,1.15E-09,1.47E-40,3.64E-93,1.73E-167,1.60E-263,0,0.485726627,8.623456822,0.219319509,8.403217917,0.179384111,0.0030905,0.998621875,0.384281496,7.416819019,0.027204731,0.026381847,2.098687002,0.15461964,4.7799924,0.074860133,0.043000198,0.438928787,0.211330682,1.947253132,0.348246862,0.051434455,0.012242412,0.076905374,0.017797036,8.07E-12,1.03E-42,2.56E-95,1.22E-169,1.12E-265,0,1.520606839,8.623363113,0.737157744,9.985761408,1.057524663,0.016337057,2.048959589,1.480755312,8.903878582,0.111178807,0.233202347,4.257245533,0.638985164,6.10193523,0.284641322,0.132339532,1.023750787,0.709584939,2.015630575,0.882735079,0.172688542,0.051945819,0.25428036,0.18545884,8.41E-11,1.08E-41,2.67E-94,1.27E-168,1.17E-264,0,5.282772189,8.623827433,2.934241365,31.59005267,11.61981723,0.145566961,5.981811965,9.36766808,23.07381464,0.680288648,2.759595554,16.40844367,3.987124109,15.22625371,1.530767082,0.691081376,5.686470379,5.490824893,3.678238093,4.173650593,0.695062147,0.538982167,0.961460682,2.251406336,1.02E-09,1.31E-40,3.24E-93,1.55E-167,1.42E-263,0,2.233519278,8.623353006,1.115949551,12.0807465,2.097250389,0.030959653,2.780189633,2.45918527,10.33725387,0.187489689,0.49981252,6.038211005,1.08343803,7.209545317,0.46299676,0.210257624,1.43114053,1.148937477,2.15859613,1.17305206,0.261938009,0.103270009,0.380853513,0.402841382,1.83E-10,2.34E-41,5.80E-94,2.77E-168,2.55E-264,0,6.75223827,8.624039673,3.93746633,45.5308959,18.52826104,0.230174328,7.509656046,13.8995033,29.87700073,1.017213022,4.510216881,21.90632692,5.982727074,19.1801104,2.228693308,1.011245891,7.68580436,8.100861146,4.419016463,5.21564964,0.936453742,0.876722766,1.267938594,3.685219862,1.67E-09,2.14E-40,5.30E-93,2.53E-167,2.33E-263,0,3.58044609,8.202767798,1.755749679,21.46819161,6.595524945,0.069468582,4.175725829,5.560646107,21.41465861,0.340303414,1.189211706,12.47535996,1.988577211,14.35364234,0.795719978,0.359717932,6.595554452,4.648127063,4.557867148,5.53977911,0.513307099,0.240681939,0.73907519,0.966816353,4.38E-10,5.62E-41,1.39E-93,6.64E-168,6.11E-264,0,14.50720506,0.802319611,0.480855494,0.918736909,0.050810658,0.541893165,0.566282952,0.580629567,15.79038016,19.00108416,40.38834102,0.878105363,1.688805684,13.76891444,0.528439427,0.096153252,0.956605942,0.036713736,0.492690306,0.218813208,0.023216563,14.39350712,8.650774322,23.74389609,0.934908913,0.734720078,13.86502223,0.577464827,0.250317007,0.943660731,0.039302561,0.495697059,0.294010233,0.157344185,14.69280406,11.62176279,28.31874565,0.915491097,0.947051477,14.52958068,0.818829557,0.465772604,0.918768983,0.051778177,0.543747204,0.592992966,0.544775873,15.81418285,19.04611913,40.40171515,0.878153474,1.681516042,13.97761231,0.609334952,0.322316898,0.937511883,0.040869552,0.503182137,0.328186162,0.260877206,14.90926416,13.21866732,30.87311989,0.906267824,1.092245504,14.60636261,0.838952213,0.509067311,0.915507883,0.052584438,0.549316105,0.618775264,0.650759331,15.95438213,20.11674512,42.30925856,0.873261824,1.8188507,14.59583399,0.825574053,0.466006113,0.918704192,0.051964029,0.548754741,0.603033,0.545322241,15.88741416,19.23641224,40.73917295,0.878056289,1.697109982 +UMLYSI0194,L,2-propyl-1-pentanol,CCCC(CCC)CO,saturated alcohols,C8H18O,58175-57-8,123543,PubChem,,50.5,0,-0.717,0.514089,36.6038,26.884274,0,0,27,9,18,0,8,0,1,0,0,0,0,0,0,0,1428.370121,1423.960324,1584.441988,1645.59504,1514.406695,1078.56614,418.825177,90.93168,9.144576,4164.033391,5299.883923,6985.921523,7426.280764,6935.67865,5571.876711,3287.117904,1247.927098,279.7536999,194.608196,193.288408,354.956632,469.310352,475.548908,432.771968,364.769956,163.638144,60.466176,30.95743629,40.32666126,58.00115861,64.68879431,60.60817824,50.90763953,33.58765259,14.68429815,4.001516144,4528.323871,3829.171409,7732.797883,10870.88521,11025.19369,10090.05767,8992.735454,4247.253023,1664.258868,75.02777778,59.83333333,90.75,111,124.25,123,93,30,9,52.90259707,54.76770477,32.33555078,24.93325818,22.94555598,17.97610233,8.212258373,3.78882,1.016064,154.2234589,203.8416894,142.569827,112.5194055,105.0860401,92.86461185,64.45329223,51.99696242,31.08374443,7.207710963,7.434169538,7.244012898,7.110762909,7.205286485,7.212866133,7.152352078,6.818256,6.718464,1.146571714,1.551025433,1.183697114,0.980133247,0.918305731,0.848460659,0.658581423,0.611845756,0.444612905,167.7156989,147.2758234,157.8122017,164.710382,167.0483893,168.1676278,176.3281461,176.9688759,184.917652,2.778806584,2.301282051,1.852040816,1.681818182,1.882575758,2.05,1.823529412,1.25,1,0.238514658,-0.103170137,-0.043601216,0.037639206,-0.008291162,0.010637519,-0.044440434,0.027204917,0.004763978,800.2177743,-66.87771673,-251.0474815,40.30235053,-42.44970921,-241.1069215,-67.42897271,97.4861044,131.0134596,1266.51806,-76.37381503,-383.2642207,-82.24994447,-79.57892212,-461.598096,125.220527,118.6026054,205.982836,1.122666963,-0.081912483,-0.150040192,0.112509794,-0.116476724,-0.152431177,-0.332694189,0.094743144,0.064968346,5.603020215,-0.228978216,-1.504079129,-0.821783733,-0.434691091,-2.182768414,1.17533101,0.373241133,0.822218332,30.80423065,-1.077902146,-7.848057472,-5.218786722,-2.554351645,-12.1199781,7.320617077,1.785858588,4.310485098,24.77983539,-2.734491693,-3.59015394,1.459990855,-2.569844536,0.020118884,-7.16746685,0.998171011,1.193758573,0.008833876,-0.003968082,-8.90E-04,5.70E-04,-1.26E-04,1.77E-04,-8.71E-04,0.001133538,5.29E-04,29.63769534,-2.572219874,-5.123417991,0.610641675,-0.643177412,-4.018448691,-1.32213672,4.061921017,14.55705106,46.90807629,-2.937454424,-7.821718789,-1.24621128,-1.205741244,-7.693301599,2.455304451,4.941775226,22.88698177,0.041580258,-0.00315048,-0.003062045,0.001704694,-0.001764799,-0.00254052,-0.006523415,0.003947631,0.007218705,0.207519267,-0.008806854,-0.030695492,-0.012451269,-0.006586229,-0.036379474,0.023045706,0.015551714,0.091357592,1.140897431,-0.041457775,-0.160164438,-0.079072526,-0.038702298,-0.201999635,0.143541511,0.074410774,0.478942789,0.917771681,-0.105172757,-0.073268448,0.022121074,-0.038937038,3.35E-04,-0.140538566,0.041590459,0.132639841,-0.449189247,-0.100728233,0.064557277,-0.014220673,0.020069557,-0.098640849,0.128317196,0.059920571,-0.086788795,-0.172868299,0.020603548,-0.02170133,-0.135585734,-0.044609971,0.137052526,0.491166769,-0.062621507,-0.166745674,-0.026567094,-0.025704342,-0.164008039,0.052342894,0.1053502,0.487911328,-0.075768652,-0.073641793,0.040997674,-0.042443192,-0.061099179,-0.156887326,0.094940032,0.173608954,-0.042438731,-0.147916349,-0.060000543,-0.031737914,-0.175306486,0.111053332,0.07494106,0.440236676,-0.036337863,-0.140384608,-0.069307305,-0.033922679,-0.177053282,0.125814563,0.065221266,0.419794782,-0.114595775,-0.079832979,0.024103025,-0.042425626,3.65E-04,-0.153130205,0.045316782,0.14452379,1.39815759,0.835992476,0.582935845,1.050955492,1.240910788,1.518266764,0.581716284,0,1.436331741,1.278166429,0.927340065,1.00388928,1.104278208,0.892287587,0.491696813,0,1.557444022,1.36262775,1.039039542,0.972936979,1.070230677,0.644483704,0.577697324,0,1.049055543,0.884820892,0.607845985,1.188997203,1.307896923,1.601081176,0.068655267,0,1.595649943,1.371739255,1.079635885,0.975423716,1.072966088,0.55442123,0.583770681,0,1.598755806,1.366253507,1.084839522,0.979976613,1.077974274,0.542877026,0.57678656,0,1.098563481,0.87258243,0.603666407,1.181720049,1.267831936,1.620150344,0.131155028,0,46.20662928,23.22831464,33.32614932,46.40107372,5.155674858,23.22831464,0.25,1.72E-16,1.91E-17,-32.67095587,4000010.71,444445.6344,13.68162684,46.2099805,23.22962304,33.32745772,46.40385373,5.155983747,23.22962304,0.249265579,6.69E-16,7.43E-17,-31.44724084,4000010.71,444445.6344,13.68162684,49.24657037,24.42378795,34.52162262,48.93624133,5.437360148,24.42378795,-0.398994478,2.44E-17,2.71E-18,-34.42552086,4000010.71,444445.6344,13.68162684,46.21349787,23.23099633,33.32883101,46.4067716,5.156307955,23.23099633,0.2484948,1.12E-16,1.24E-17,-33.05681266,4000010.71,444445.6344,13.68162684,52.58550502,25.75160538,35.84944005,51.74372059,5.749302288,25.75160538,-1.082294264,1.18E-16,1.31E-17,-33.01031437,4000010.71,444445.6344,13.68162684,46.55857093,23.36585256,33.46368724,46.69323085,5.188136762,23.36585256,0.173134186,2.26E-17,2.51E-18,-34.49742427,4000010.71,444445.6344,13.68162684,51.3589026,25.93493849,37.91528989,51.74140476,5.749044973,25.93493849,0.578125,3.61E-17,4.01E-18,-34.0739691,4000010.3,444445.5889,13.68162674,0,11.99629191,15.99794303,-0.421305197,0.072392379,4.418856041,8.506004728,8,26,26,26,8,0,0,0,0,0,19.677726,3.556615347,3.158726067,2.960512625,2.464617759,2.18392002,1.660261885,1.33473676,1.33214981,1.925197182,1.708882991,1.496227764,1.133233661,1.091617933,0.708327869,0.62252576,0.425183052,3.569124589,3.197240258,2.943476459,2.415435162,2.253323613,1.67146248,1.442861713,1.283455551,1.875770392,1.631733601,1.441451487,1.080721295,0.975709625,0.586129212,0.473240653,0.378352803,3.69154098,3.364701014,3.168233522,2.734550966,2.546003084,2.082089389,1.884943921,1.836197387,1.703050314,1.397661851,1.157807356,0.698361668,0.601565151,0.109528265,0.035334264,0.229159418,3.584876026,3.225530555,2.961936552,2.429073141,2.303876515,1.722538714,1.522049418,1.296269929,1.845005355,1.581957035,1.40930999,1.044414012,0.899064477,0.509731358,0.37260324,0.322758181,3.74321482,3.444790866,3.240137998,2.824029269,2.679762813,2.231215631,2.074844725,1.988649814,1.653581854,1.322620074,1.082572718,0.603723702,0.474040332,0.045231407,0.220196471,0.380521873,4.399281821,3.517825508,3.321875479,2.923795355,2.434592758,2.173843824,1.7565802,1.654671232,1.814337468,1.47607115,1.209400355,0.752660212,0.739221736,0.306674265,0.208833597,0.083247075,0,0,0,0,0,3,4,1,0,0,0,0,0,0,0,0,0,0,0,0.204124145,0,0,0,0.204124145,0,0,0,0.49279928,0.679412342,0.49279928,0.379962228,0.519836652,0.33322359,7.112884175,4.346065215,2.851623963,1.971197119,1.369082439,0.696923425,0.144337567,0,0.790320464,0.543258152,0.356452995,0.24639964,0.195583206,0.174230856,0.144337567,0,6.560097771,3.9551862,2.625949859,1.65204574,1.143408334,0.47124932,0.144337567,0,0.728899752,0.494398275,0.328243732,0.206505717,0.163344048,0.11781233,0.144337567,0,13.59124934,26.32119446,24.87843137,25.24,15.66722994,208.6661222,0.503379605,0.974859054,0.921423384,0.934814815,0.580267776,7.728374895,2.1951,40.3918,23.67989321,33.77772789,47.35978643,5.262198492,23.67989321,5.06E-16,5.62E-17,-31.69786341,4000010.71,444445.6344,13.68162684,70,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.578333333,0,8.788240741,0,0,0,0,0,0,0,0,0,0,0.578333333,0,0,0,0,0,0,0,0,0,0,0,0,0,2.221666667,0,0,0,0,0,0,0,0,0,0,0,4.33,0,5.145648148,0,0,0,0.569444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.788240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.578333333,0,8.788240741,0,0,0,0,0,0,0,0,0,0,0.578333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0.227777778,0,0,0,0,0,0,0,0,0,0,0,2.165,0,0.376666667,0,0,0,0.569444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.788240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.578333333,0,8.788240741,0,0,0,0,0,0,0,0,0,0,0.578333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.165,0,1.19962963,0,0,0,0.569444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.788240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.83333333,2.092592593,0.578333333,8.788240741,0.227777778,0.376666667,4.592776296,1.123333333,2.788240741,6.236481481,1.123333333,2.788240741,6.236481481,4.33333,0.48148,0,0.01852,0.46173,0.78519,0.42414,0.46173,0.73667,0.03759,0,-0.03759,0.04852,0.61321,0.10108,0,0.30769,0.11538,0,4.25,0.47222,4.25,0.47222,0,0,-4.25,-0.47222,0,0,9.0998,1.01109,10.05822,0.95842,0.10649,4.01749,0.44639,4.34606,0.32857,0.03651,0.06794,0.00755,0.06794,0.00755,0,8.01,1,1,1,1,1,1,1,1.086048612,1.810929417,2.995266206,3.291562502,3.291562502,3.115455557,29.32331253,48.89509426,80.87218755,88.87218755,88.87218755,84.11730005,0.228406794,0.380856417,0.62993419,0.692248239,0.692248239,0.655211202,3.66883889,2.943958085,1.759621296,1.463325,1.463325,1.639431945,0.231052556,0.385268087,0.637231065,0.700266932,0.700266932,0.662800875,9.449442117,15.87964142,18.70171604,19.00033087,19.00033087,16.88704753,33.3868056,23.97499499,21.49663242,20.60195094,20.60195094,19.54530927,9,6.125,4.5,9,0,7,2.23,1.2945,0.166666667,3.623898318,0.666666667,0,4.556553777,3.789291416,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,4.388,8,8,7,4,1,0,0,0,0,45,2.197224577,2.197224577,2.197224577,2.079441542,1.609437912,0.693147181,0,0,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.625,8,1,0,3,6,1,1.5,0.666666667,0.375,0.24,0.055555556,0,0,0,0,0,0.1875,0.083333333,0.046875,0.034285714,0.013888889,0,0,0,0,0,0.365882937,23.67989321,33.77772789,47.35978643,5.262198492,23.67989321,5.06E-16,5.62E-17,-31.69786341,4000010.71,444445.6344,13.68162684,20.23,155.7145624,4.169925001,3.496507561,4.17438727,4.890349128,5.59471138,6.318968114,7.029087564,7.754910272,8.466531277,9.192685437,73.918138,2.833213344,0,3.891820298,0,5.153291594,0,6.51174533,0,7.914617709,8.203577737,130.1357652,4.819843155,16.66611844,1.851790938,2.43266864,2.43266864,0,102,8,2.855,32,1.227923077,2.128092197,2.863711682,3.514533849,4.355265639,5.322690406,6.530881893,8.149714457,0,0,78.91090558,77.18613679,80.25139082,93.33578771,89.87247613,51.22792723,28.29503079,8.28063147,0,0,276.4511081,325.95072,346.0144781,409.5316158,445.9493849,374.0210919,366.3667596,253.3236414,0,0,9.155826991,15.47080423,20.42753731,25.37838981,31.39514042,38.04960311,44.65701482,54.75356319,0,0,2.045513112,2.6536425,2.946383523,3.487546803,3.990084319,3.735327428,4.210044941,3.623468219,0,0,178.400665,332.2098577,468.2978181,579.4381573,721.5853819,929.6230092,1145.583902,1507.026062,0,0,2.882096154,4.037527449,4.93251487,6.715429906,8.936326376,9.709304667,8.483743668,8.149714457,0,0,0.438605158,0.577609103,0.651350284,0.784411012,0.91186296,0.871741711,0.937476086,0.83453076,0,0,391.7125562,294.7138804,11.32534641,164.6116992,-123.8493683,-19.78640065,227.1008569,418.5632487,31.11174705,0.704108355,0.529751988,0.020357456,0.295891645,-0.222620831,-0.035566309,217.9191961,163.9564801,6.300564908,91.57748101,-68.90040761,-11.00765461,0.278766907,0.525570863,0.511852283,15.32688536,525.325768,30.99848741,0.94427982,0.05572018,532.2508829,23.07056313,8.104112543,714.9614284,26.73876266,8.941853238,954.9372698,30.90205931,9.847476381,1.910257186,1.910257186,785.1090857,700.9831248,151.1839548,1.120011393,5.193071494,4.636623813,4.591403293,4.466158665,8.836778877,0.978608361,5.455646852,7.544425869,5.994691152,25.64453215,14.94715197,5.98666743,8.064494454,9.959128571,10.78637325,5.705458836,2.41123363,7.575082262,4.322884441,0.860264763,2.474850258,0.241081057,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.477759684,7.152845583,0.528224221,9.139145314,1.183801461,0.439514662,1.379887041,0.605087513,3.270491925,0.303633295,0.022033936,0.341377062,0.148779883,0.859561027,0.112752628,0.00169802,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.42281742,6.951301248,1.344582114,10.06703943,2.242116314,1.141585356,2.034665771,1.944161952,4.442567824,0.806105623,0.185513166,1.270875704,0.621296789,0.859696005,0.426540802,0.017694156,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,5.372643658,7.614052011,6.35280702,24.43862471,13.51551035,5.817894363,7.98071816,9.372165771,10.19818546,5.611016992,2.157510144,6.938744943,3.933091809,0.860218614,2.270681911,0.214798927,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,2.030070273,6.906475899,1.791398243,11.46279193,3.48084223,1.680232757,2.628028317,2.985202065,5.35466987,1.22132945,0.392165931,2.071370456,1.058348264,0.859791238,0.691937989,0.038433908,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,6.769113881,7.863948076,7.951950692,32.69831131,21.07165442,8.008138075,10.5379709,13.10369675,13.10965219,8.042828638,3.509536266,10.15102937,5.918549787,0.860439114,3.298422411,0.351593848,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,4.736317966,7.623135004,7.466605136,18.6978507,6.80455583,4.751162141,7.415085375,5.905859602,7.619332315,5.12008779,0.983497972,4.33412492,1.982300905,1.336572482,1.443538768,0.093684052,0.054143071,6.13E-20,1.34E-59,5.64E-121,4.58E-204,0.00E+00,0,0,0,0,0,0,0,0,6.521376191,1.141242382,0.637938934,0.785655203,0.137489847,0.497855342,0.427176568,0.423495649,8.300557507,12.33075362,25.37915308,0.678482804,1.34852756,5.134520617,0.931776986,0.257864981,0.811889408,0.147336026,0.30975201,0.308871889,0.062236866,6.324162583,6.34851386,13.90636134,0.717834112,0.680860766,5.863498304,0.916859299,0.406169757,0.815901479,0.127580298,0.40254669,0.278910931,0.168816963,7.18652736,8.129979145,17.50007631,0.723852219,0.850274584,6.42025969,1.155481819,0.633901239,0.782038864,0.140746906,0.482623164,0.440102558,0.414609541,8.209642748,12.22076528,25.13300015,0.673058296,1.337335263,6.152966116,0.948480069,0.466162573,0.813066097,0.125334184,0.443151899,0.295013343,0.226211025,7.567608758,9.146394151,19.43451171,0.719599145,0.964376267,6.58047089,1.176570306,0.668431,0.78102102,0.139644435,0.5069336,0.454135112,0.464702488,8.425472196,12.92743346,26.52815691,0.67153153,1.425771201,6.450983401,1.157178592,0.635301337,0.782557421,0.140375294,0.487251866,0.441403632,0.41643835,8.243463329,12.29841537,25.28436499,0.673836131,1.345093848 +UMLYSI0195,L,2-ethyl-1-hexanol,CCCCC(CC)CO,saturated alcohols,C8H18O,104-76-7,7720,PubChem,,50.4,0,-1.2606,1.58911236,35.0636,26.884274,0,0,27,9,18,0,8,0,1,0,0,0,0,0,0,0,1428.370121,1423.960324,1584.441988,1645.59504,1393.340686,968.140032,584.74891,153.451872,12.192768,4164.033391,5299.883923,6985.921523,7426.280764,6710.551236,5158.023893,3409.901904,1670.872095,373.0049332,194.608196,193.288408,354.956632,469.310352,475.525192,430.237128,298.205056,212.606208,80.621568,30.95743629,40.32666126,58.00115861,64.68879431,59.60175396,47.76483478,32.79596884,18.29137222,5.335354858,4528.323871,3829.171409,7732.797883,10870.88521,11019.72678,10286.34105,7168.655346,5325.763705,2219.011824,75.02777778,59.83333333,90.66666667,111.5,127.8333333,110,77,52,12,52.90259707,54.76770477,32.33555078,24.93325818,21.11122252,16.1356672,13.9225931,5.1150624,1.016064,154.2234589,203.8416894,142.569827,112.5194055,101.6750187,85.96706489,81.18814058,55.6957365,31.08374443,7.207710963,7.434169538,7.244012898,7.110762909,7.204927152,7.1706188,7.100120381,7.0868736,6.718464,1.146571714,1.551025433,1.183697114,0.980133247,0.903056878,0.79608058,0.780856401,0.609712407,0.444612905,167.7156989,147.2758234,157.8122017,164.710382,166.9655573,171.4390175,170.6822701,177.5254568,184.917652,2.778806584,2.301282051,1.850340136,1.689393939,1.936868687,1.833333333,1.833333333,1.733333333,1,0.23847076,-0.10326947,-0.043459211,0.040593841,-0.009022876,-0.018805353,0.019345953,-0.023860604,0.01924234,800.2177743,-66.87771673,-251.0474815,40.30235053,-163.5157182,-33.10376436,-71.81040853,-28.74076107,174.6846128,1266.51806,-76.37381503,-383.2642207,-82.24994447,-304.7063356,57.15127509,-171.4977453,53.03797475,274.6437813,1.122666963,-0.081912483,-0.150040192,0.112509794,-0.140192724,-0.213757399,-0.028844016,-0.145720922,0.086624461,5.603020215,-0.228978216,-1.504079129,-0.821783733,-1.441115376,0.507356348,-0.904763641,0.495562529,1.09629111,30.80423065,-1.077902146,-7.848057472,-5.218786722,-8.021264334,3.101546899,-5.167059757,3.082094743,5.747313465,24.77983539,-2.734491693,-3.673487273,1.959990855,-1.714906264,-4.79469593,1.009144947,-4.033150434,1.591678098,0.00883225,-0.003971903,-8.87E-04,6.15E-04,-1.37E-04,-3.13E-04,4.61E-04,-7.95E-04,0.001603528,29.63769534,-2.572219874,-5.123417991,0.610641675,-2.477510882,-0.551729406,-1.709771632,-0.958025369,14.55705106,46.90807629,-2.937454424,-7.821718789,-1.24621128,-4.61676266,0.952521251,-4.083279649,1.767932492,22.88698177,0.041580258,-0.00315048,-0.003062045,0.001704694,-0.002124132,-0.003562623,-6.87E-04,-0.004857364,0.007218705,0.207519267,-0.008806854,-0.030695492,-0.012451269,-0.021835081,0.008455939,-0.021541991,0.016518751,0.091357592,1.140897431,-0.041457775,-0.160164438,-0.079072526,-0.121534308,0.051692448,-0.123025232,0.102736491,0.478942789,0.917771681,-0.105172757,-0.074969128,0.029696831,-0.025983428,-0.079911599,0.024027261,-0.134438348,0.132639841,-0.449704494,-0.100418653,0.069637767,-0.01547853,-0.035486148,0.05215182,-0.090051054,0.18155377,-0.086788795,-0.172868299,0.020603548,-0.083593237,-0.0186158,-0.057689089,-0.032324557,0.491166769,-0.062621507,-0.166745674,-0.026567094,-0.098421488,0.020306125,-0.087048542,0.037689299,0.487911328,-0.075768652,-0.073641793,0.040997674,-0.051085113,-0.085680645,-0.016516547,-0.116818998,0.173608954,-0.042438731,-0.147916349,-0.060000543,-0.105219538,0.04074773,-0.103807187,0.079601047,0.440236676,-0.036337863,-0.140384608,-0.069307305,-0.106525183,0.045308585,-0.107831983,0.090048841,0.419794782,-0.114595775,-0.081686033,0.032357537,-0.028311429,-0.087071328,0.026179998,-0.146483434,0.14452379,1.398461197,0.835703424,0.579774395,1.059318214,1.270939983,1.05264773,1.311348342,0.475197919,1.436331741,1.278166429,0.927340065,1.063488894,0.931361328,0.929254952,0.824004024,0,1.557444022,1.36262775,1.039039542,1.042960897,0.809020913,0.929506862,0.624837458,0,1.049055543,0.884820892,0.607845985,1.197319053,1.334407961,0.953827879,1.370073035,0,1.595649943,1.371739255,1.079635885,1.046183799,0.772112066,0.933195971,0.549094136,0,1.598755806,1.366253507,1.084839522,1.049890136,0.769709873,0.934777785,0.538350347,0,1.098563481,0.874366852,0.595717618,1.177745654,1.34069584,0.93057615,1.433961637,0,47.03281356,23.64140678,35.33662697,47.227258,5.247473111,23.64140678,0.25,0.13341387,0.014823763,-1.812869262,41.59671247,4.621856941,3.355219023,47.03620067,23.64273313,35.33810847,47.2300739,5.247785989,23.64273313,0.249265579,0.133358864,0.014817652,-1.813240405,41.59269518,4.621410575,3.3551321,50.10057349,24.8507895,36.72432272,49.79024445,5.532249383,24.8507895,-0.398994478,0.077128052,0.008569784,-2.306059401,38.92965938,4.325517708,3.295580771,47.0397557,23.64412525,35.33966352,47.23302943,5.248114381,23.64412525,0.2484948,0.133301117,0.014811235,-1.813630202,41.58848149,4.620942387,3.355040917,53.46210202,26.18990388,38.39062131,52.6203176,5.846701955,26.18990388,-1.082294264,0.006982516,7.76E-04,-4.467911368,38.61041327,4.290045919,3.288169812,47.38845177,23.78079298,35.49272898,47.52311169,5.280345743,23.78079298,0.173134186,0.127568447,0.014174272,-1.853191996,41.18864088,4.576515654,3.34634626,52.18941201,26.35019325,40.05606276,52.57191429,5.841323809,26.35019325,0.578125,0.125369555,0.013929951,-1.868840521,35.82106323,3.980118136,3.220682471,0,11.99629191,15.99794303,-0.421305813,0.072383715,4.379452018,8.348817899,8,26,26,26,8,0,0,0,0,0,19.677726,3.551001142,3.210450482,2.832345078,2.622570797,2.067716508,1.693798056,1.426652039,1.242758383,1.923637808,1.72138114,1.448383083,1.26719506,0.933105795,0.805358127,0.585128696,0.426296339,3.56401774,3.237028095,2.82836792,2.61026501,2.069807906,1.777551184,1.406904222,1.27943204,1.873421229,1.651785104,1.375610177,1.210179221,0.839377632,0.671409574,0.443000705,0.377165842,3.68739984,3.400902046,3.068649612,2.882764191,2.413784604,2.153344403,1.893392006,1.805844307,1.699461954,1.424624873,1.074037635,0.869050883,0.422347166,0.218780081,0.078935151,0.227342321,3.580067864,3.261515468,2.855338106,2.629093947,2.103991832,1.841619796,1.473876582,1.298442957,1.84218878,1.607673373,1.333688102,1.169335022,0.777346481,0.581913411,0.364719066,0.306641902,3.739695684,3.474104807,3.153207443,2.971938546,2.536189299,2.317092184,2.051579212,1.981136213,1.64939429,1.354949543,0.98591494,0.780177047,0.298727591,0.060230937,0.260343574,0.380484873,4.399347297,3.520237006,3.314441406,2.925871946,2.484557077,2.013386804,1.934785531,1.586806443,1.809143568,1.50452521,1.133884729,0.928131296,0.54823031,0.415327682,0.16563307,0.080780544,0,0,0,0,0,3,4,1,0,0,0,0,0,0,0,0,0,0,0,0.204124145,0,0,0,0.204124145,0,0,0,0.552585858,0.594861352,0.306186218,0.439748805,0.402236455,0.249767692,7.112884175,4.346065215,2.82475051,2.120626365,1.189722705,0.577350269,0.288675135,0,0.790320464,0.543258152,0.353093814,0.265078296,0.198287117,0.144337567,0.144337567,0,6.560097771,3.9551862,2.599076405,1.801474985,0.917309963,0.497562424,0.20888729,0,0.728899752,0.494398275,0.324884551,0.225184373,0.152884994,0.124390606,0.104443645,0,13.59124934,26.32119446,24.87843137,25.24,15.66722994,208.6661222,0.503379605,0.974859054,0.921423384,0.934814815,0.580267776,7.728374895,2.1951,40.3918,24.09878462,35.85217663,48.19756925,5.355285472,24.09878462,0.113693781,0.012632642,-1.956821915,40.3593464,4.484371822,3.328040701,74,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.585702948,0,8.752651172,0,0,0,0,0,0,0,0,0,0,0.585702948,0,0,0,0,0,0,0,0,0,0,0,0,0,2.214297052,0,0,0,0,0,0,0,0,0,0,0,4.32008031,0,5.200462963,0,0,0,0.560138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.752651172,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.585702948,0,8.752651172,0,0,0,0,0,0,0,0,0,0,0.585702948,0,0,0,0,0,0,0,0,0,0,0,0,0,0.220408163,0,0,0,0,0,0,0,0,0,0,0,2.135462963,0,0.371527778,0,0,0,0.560138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.752651172,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.585702948,0,8.752651172,0,0,0,0,0,0,0,0,0,0,0.585702948,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.184617347,0,1.262962963,0,0,0,0.560138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.752651172,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.83333333,2.092592593,0.585702948,8.752651172,0.220408163,0.371527778,4.61095687,1.128472222,2.752651172,6.145462963,1.128472222,2.752651172,6.145462963,4.33333,0.48148,0,0.01852,0.46173,0.78519,0.42414,0.46173,0.73667,0.03759,0,-0.03759,0.04852,0.61321,0.10108,0,0.30769,0.11538,0,4.25,0.47222,4.25,0.47222,0,0,-4.25,-0.47222,0,0,9.07564,1.0084,10.02592,0.95028,0.10559,4.01749,0.44639,4.34606,0.32857,0.03651,0.06794,0.00755,0.06794,0.00755,0,8.01,1,1,1,1,1,1,1,1.086048612,1.810929417,3.06934028,3.513784724,3.556201281,3.482127207,29.32331253,48.89509426,82.87218755,94.87218755,96.01743458,94.01743458,0.228406794,0.380856417,0.645512702,0.738983777,0.747904399,0.732325887,3.66883889,2.943958085,1.685547222,1.241102778,1.198686221,1.272760295,0.231052556,0.385268087,0.652990032,0.747543833,0.756567788,0.740808821,9.449442117,15.87964142,19.59060493,20.03852717,20.08127564,18.88505877,33.3868056,23.97499499,20.27223798,18.85758983,18.71745872,16.31623326,9,6.125,4.5,9,0,7,2.23,1.2945,0.166666667,3.604654325,0.707106781,0,4.610539557,3.494135594,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,4.388,8,8,6,4,2,0,0,0,0,45,2.197224577,2.197224577,2.197224577,1.945910149,1.609437912,1.098612289,0,0,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.625,8,1,0,3,6,1,1.5,0.666666667,0.375,0.16,0.111111111,0,0,0,0,0,0.1875,0.083333333,0.046875,0.026666667,0.027777778,0,0,0,0,0,0.372152778,24.09878462,35.85217663,48.19756925,5.355285472,24.09878462,0.113693781,0.012632642,-1.956821915,40.3593464,4.484371822,3.328040701,20.23,155.7145624,4.169925001,3.496507561,4.17438727,4.875197323,5.579729826,6.289715571,7.00033446,7.712890961,8.425297177,9.138736953,73.6927971,2.833213344,0,3.891820298,0,5.153291594,0,6.499787041,0,7.884952946,8.179199798,130.1357652,4.819843155,16.66420735,1.851578595,2.42403919,2.42403919,0,104,8,2.855,32,1.227923077,2.128092197,2.863711682,3.514768188,4.327652707,5.422002267,6.636820993,7.852439986,0,0,78.91090558,77.18613679,80.25139082,85.33493265,85.06868634,89.66807368,36.5790949,7.978581582,0,0,276.4511081,325.95072,346.0144781,394.0957939,417.7100212,487.8985395,389.3262827,244.0832377,0,0,9.155826991,15.47080423,20.42753731,25.3748398,31.00632509,38.73512119,47.13472379,52.75633536,0,0,2.045513112,2.6536425,2.946383523,3.415970268,3.750496491,4.546682356,4.203132982,3.491296152,0,0,178.400665,332.2098577,468.2978181,579.4095588,731.4906422,913.4262253,1170.77397,1452.054765,0,0,2.882096154,4.033297806,4.960614613,6.851300068,7.914988741,10.53502323,11.75047567,7.852439986,0,0,0.438605158,0.577609103,0.651350284,0.771134097,0.85323081,1.042093961,0.993083355,0.804089855,0,0,393.6254588,296.1564883,11.21809774,188.366623,-141.7235505,-21.3668546,205.2588358,437.8800388,32.58495234,0.676341605,0.508866869,0.019275344,0.323658395,-0.243514568,-0.036713308,229.0869003,172.3607312,6.528844057,109.6278831,-82.4819842,-12.43534019,0.278763713,0.52556504,0.555014188,15.74580543,550.0413319,31.95074996,0.945101057,0.054898943,532.2508829,23.07056313,8.104112543,714.9614284,26.73876266,8.941853238,943.147378,30.71070462,9.806781985,2.192057606,2.192057606,844.7210398,778.8491291,134.4094989,1.084575957,6.284682606,5.794598861,4.63825191,4.466158665,8.836778877,0.978608361,5.455646852,7.508715325,5.465968235,28.06238194,12.67740911,6.038663955,8.134618615,11.43393897,11.27577133,2.633867009,3.637316039,9.705854253,5.322930798,1.529379795,2.474850258,0.241081057,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.477759684,7.15259407,0.451979731,9.365936825,1.115785641,0.36959281,1.34015113,0.531090216,3.215357021,0.158061581,0.200672919,0.470995639,0.156127649,0.864409152,0.112752628,0.00169802,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.42281742,6.948680295,1.222517908,10.4897281,1.941855396,1.092538489,2.071048889,1.910363461,4.299665767,0.446920685,0.536005603,1.542663937,0.695043972,0.908960819,0.426540802,0.017694156,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,5.372643658,7.582234558,5.628976643,27.31526769,11.45738455,5.755147964,7.751215799,10.5743344,10.58586809,2.425001004,3.713775823,8.894666848,4.825175826,1.456860281,2.270681911,0.214798927,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,2.030070273,6.900782841,1.684726666,11.92171152,2.956668823,1.668579026,2.779792568,3.081267918,5.210076457,0.710431064,0.76935323,2.5189508,1.21787193,0.966504924,0.691937989,0.038433908,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,6.769113881,7.811867604,7.179402114,36.21854548,17.93115448,8.092728048,10.46082997,15.38120583,14.06344192,3.540850092,5.150178479,13.15226415,7.377029492,1.836283224,3.298422411,0.351593848,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,4.736317966,7.609257936,6.059473053,23.70970349,5.845928072,4.124717185,6.144785526,6.203154072,7.262150269,1.368122351,3.876494015,5.628852553,2.376562975,1.599102895,1.443538768,0.093684052,0.054143071,6.13E-20,1.34E-59,5.64E-121,4.58E-204,0.00E+00,0,0,0,0,0,0,0,0,6.871727042,1.045564205,0.651578859,0.801940858,0.122018912,0.529074457,0.422615051,0.458032594,8.568870106,12.34357142,25.59392605,0.702911287,1.409722102,5.756196972,0.783242111,0.26554758,0.845879244,0.115098258,0.377467271,0.252109216,0.065236969,6.804986662,6.245028086,14.24723491,0.768818866,0.694813455,6.246683797,0.821658526,0.415967938,0.834637205,0.109784135,0.438061454,0.263049372,0.180021337,7.484310261,8.072844783,17.69216914,0.751955807,0.881132163,6.814935387,1.051296262,0.647839317,0.800432063,0.123477508,0.520984123,0.428431636,0.443269056,8.514070966,12.26057024,25.41609642,0.700648094,1.392684815,6.468421285,0.864732318,0.476417215,0.828268472,0.110727252,0.468708542,0.288957727,0.245176839,7.809570819,9.087093554,19.56148164,0.742402707,1.002843108,6.940015928,1.078204553,0.682681208,0.797620313,0.123918715,0.539701623,0.449448004,0.501981152,8.700901689,12.95664522,26.76588434,0.696430469,1.49113078,6.845216981,1.052161239,0.649537958,0.800899042,0.123104195,0.525592641,0.429083046,0.445482385,8.546916178,12.3319189,25.55698411,0.701348563,1.400158072 +UMLYSI0196,L,methylcyclopentane,CC1CCCC1,cyclic alkanes,C6H12,96-37-7,7296,PubChem,,50.3,0,0.0686,0.00470596,23.2621,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,1010.869782,1283.317231,646.831922,149.520672,12.192768,0,0,0,2914.106344,3917.940807,5706.410083,4650.250206,2017.711008,373.0049332,0,0,0,125.864664,130.65468,256.400764,342.025544,259.293312,80.621568,0,0,0,22.06875486,30.09593172,47.13256515,45.20468587,23.58460444,5.335354858,0,0,0,2979.777961,2598.236709,5550.680106,8054.455437,6708.919734,2219.011824,0,0,0,26.77777778,32.75,56.08333333,68.33333333,45,12,0,0,0,48.76541633,56.15943233,35.64770086,13.20065147,3.934754526,1.016064,0,0,0,161.8947969,217.6633782,158.5113912,94.90306543,53.0976581,31.08374443,0,0,0,6.992481333,7.258593333,7.122243444,6.980113143,6.823508211,6.718464,0,0,0,1.226041937,1.671996207,1.309237921,0.92254461,0.620647485,0.444612905,0,0,0,165.54322,144.3464838,154.1855585,164.3766416,176.5505193,184.917652,0,0,0,1.487654321,1.819444444,1.55787037,1.394557823,1.184210526,1,0,0,0,0.024452519,-0.001407267,-0.00588181,-0.017389551,0.005112838,0.007339531,0,0,0,484.264036,4.90E-13,-121.066009,-390.1015846,107.6142302,161.4213453,0,0,0,900.5096538,2.98E-13,-225.1274134,-725.4105544,200.1132564,300.1698846,0,0,0,0.094864,1.36E-15,-0.023716,-0.076418222,0.021080889,0.031621333,0,0,0,4.025697139,2.94E-15,-1.006424285,-3.242922696,0.894599364,1.341899046,0,0,0,21.86765075,6.53E-14,-5.466912688,-17.61560755,4.859477945,7.289216918,0,0,0,1.49382716,-0.435185185,-0.015432099,-0.714677641,0.006858711,0.411522634,0,0,0,0.001358473,-7.82E-05,-1.63E-04,-3.55E-04,1.35E-04,6.12E-04,0,0,0,26.90355756,2.72E-14,-3.362944694,-7.961256828,2.831953427,13.45177878,0,0,0,50.0283141,1.66E-14,-6.253539262,-14.80429703,5.266138326,25.01415705,0,0,0,0.005270222,7.55E-17,-6.59E-04,-0.001559556,5.55E-04,0.002635111,0,0,0,0.223649841,1.63E-16,-0.02795623,-0.066182096,0.023542089,0.111824921,0,0,0,1.214869486,3.63E-15,-0.151858686,-0.359502195,0.127880999,0.607434743,0,0,0,0.082990398,-0.024176955,-4.29E-04,-0.014585258,1.80E-04,0.034293553,0,0,0,-0.057551019,-0.120270016,-0.261240913,0.099043808,0.45023158,0,0,0,1.01E-15,-0.125,-0.295918367,0.105263158,0.5,0,0,0,3.31E-16,-0.125,-0.295918367,0.105263158,0.5,0,0,0,1.43E-14,-0.125,-0.295918367,0.105263158,0.5,0,0,0,7.31E-16,-0.125,-0.295918367,0.105263158,0.5,0,0,0,2.99E-15,-0.125,-0.295918367,0.105263158,0.5,0,0,0,-0.291322314,-0.005165289,-0.175746332,0.002174859,0.41322314,0,0,0,1.473090791,1.237401176,1.202533058,0.604472112,0.003655279,0,0,0,1.416666667,1.298611111,1.214285714,0.559210526,0,0,0,0,1.416666667,1.298611111,1.214285714,0.559210526,0,0,0,0,1.416666667,1.298611111,1.214285714,0.559210526,0,0,0,0,1.416666667,1.298611111,1.214285714,0.559210526,0,0,0,0,1.416666667,1.298611111,1.214285714,0.559210526,0,0,0,0,1.773760331,0.922004132,1.154790015,0.823564593,0,0,0,0,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.64374006,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,-7.11E-15,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,19.31946284,9.613435124,14.17999247,19.25773445,3.209622408,9.613610387,-0.092592593,0.030784955,0.005130826,-2.088437505,42.46516056,7.07752676,2.249210393,0,11.9,12.1000824,-0.151386681,0.048709419,5.658995554,7.448506275,6,18,18,18,6,0,0,0,0,0,13.118484,3.627101149,2.781418157,2.459820995,1.995857275,1.19006016,0.939129545,0.083923071,0.083923071,1.803483423,1.724171079,1.226892172,0.757863935,0.621200126,0.356238123,0.083923071,0.083923071,3.652027279,2.827185891,2.510897621,2.069299418,1.30885592,1.065160977,0.270913902,0.270913902,1.74157494,1.655976007,1.117615365,0.62194973,0.476079793,0.194747858,0.270913902,0.270913902,3.761432789,3.028373609,2.734801489,2.377097536,1.778468089,1.560463307,0.943918427,0.943918427,1.560904806,1.452583651,0.767027153,0.172849073,0.010166862,0.366071564,0.943918427,0.943918427,3.670376732,2.860960277,2.548571849,2.122681568,1.39352899,1.154824297,0.399277246,0.399277246,1.702261215,1.612285733,1.045523917,0.531260614,0.378767248,0.085181511,0.399277246,0.399277246,3.814659654,3.125134419,2.841861735,2.516843435,1.978039144,1.769475288,1.207644823,1.207644823,1.505142931,1.38842831,0.648284366,0.016182923,0.182659309,0.575234484,1.207644823,1.207644823,3.683113856,3.004731084,2.602772128,2.24669346,1.550284617,1.306777667,0.642857143,0.642857143,1.648721688,1.561175749,0.840257381,0.377595282,0.212437591,0.102957736,0.642857143,0.642857143,0,0,0,0,0,1,4,1,0,0,0,0.144337567,0.144337567,0,0,0,0.144337567,0.144337567,0,0.288675135,0,0,0,0.288675135,0,0,0,0.40824829,0.433012702,0,0.40824829,0.433012702,0,4.405777394,2.89384685,2.389628766,1.64384685,1.129936127,0.288675135,0,0,0.734296232,0.482307808,0.341375538,0.234835264,0.161419447,0.144337567,0,0,4.405777394,2.89384685,2.389628766,1.64384685,1.129936127,0.288675135,0,0,0.734296232,0.482307808,0.341375538,0.234835264,0.161419447,0.144337567,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.1965,27.632,18.09925825,25.29161865,36.19851651,6.033086084,18.09925827,0.064833572,0.010805595,-1.641559038,30.97618464,5.16269744,2.059931203,29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,1,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,2.340277778,0,5.946759259,0,0,0,1.046296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.340277778,0,1.486111111,0,0,0,1.046296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.340277778,0,1.487268519,0,0,0,1.046296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.333333333,1.555555556,0.2,2.340277778,0.2,1.046296296,4.322013889,0.287037037,0.340277778,0.680555556,0.287037037,0.340277778,0.680555556,3,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0.16667,0.16667,0,3,0.5,3,0.5,0,0,-3,-0.5,0,0,5.2306,0.87177,5.2306,0,0,2.89384,0.48231,2.89384,0,0,0.02016,0.00336,0.10616,0.01769,0.277777778,6,0,0,0,0,0,0,1,0.918295834,1.335505557,2.350209029,2.683542362,2.281036113,2.169925001,16.52932501,24.03910002,42.30376252,48.30376252,41.05865003,39.05865003,0.220218789,0.320270882,0.563609424,0.643546913,0.547020896,0.520375067,3.251629167,2.834419445,1.819715972,1.486382639,1.888888889,2,0.220218789,0.320270882,0.563609424,0.643546913,0.547020896,0.520375067,6.73287657,11.73939324,15.20474235,14.31933125,11.47096983,15.02304759,23.69925001,19.03258335,16.91696043,18.0614882,21.58596668,17.3216389,4.166666667,1.632653061,0.979591837,0,0,0,2.12,0.8454,0,1.632993162,1,0,4.242640687,2.828427125,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.089,0.084,0.238,0.233,2.896,7,7,7,2,0,0,0,0,0,35,1.945910149,2.079441542,2.079441542,2.079441542,1.098612289,0,0,0,0,0,3.583518938,1,0.333333333,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,0,2,3,0.5,1,0.444444444,0.222222222,0,0,0,0,0,0,0,0.166666667,0.063492063,0.111111111,0,0,0,0,0,0,0,0.341269841,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,0,99.97590776,3.584962501,3.295836866,4.007333185,4.762173935,5.493061443,6.251903883,6.989335266,7.747164967,8.487764381,9.243871855,68.27844578,2.564949357,0,3.713572067,2.397895273,5.017279837,4.442651256,6.385194399,6.224558429,7.788626066,8.245646901,84.09390038,4.671883355,11.57549817,1.929249695,0,0,0,26,2,3.353,26,1.3586932,2.428984679,3.271862156,3.991625748,5.189420775,0,0,0,0,0,97.95016178,98.62149702,49.38424622,17.81665479,5.272783631,0,0,0,0,0,346.3145629,419.9486792,329.9106066,227.8648601,161.3066291,0,0,0,0,0,9.931467889,17.38122318,22.88883808,27.31285149,34.86493666,0,0,0,0,0,2.546145545,3.394988746,3.142064218,2.604688044,2.307283445,0,0,0,0,0,191.8101477,368.6273274,534.0577669,698.6730895,959.6155051,0,0,0,0,0,2.567627536,3.911829643,4.653612384,4.864094394,5.189420775,0,0,0,0,0,0.524969925,0.712688638,0.678296408,0.579466197,0.531396687,0,0,0,0,0,278.5608318,86.7152713,7.192341103,52.17331277,-16.24141823,-2.811746998,226.387519,102.9566895,10.0040881,0.842249996,0.26219026,0.021746594,0.157750004,-0.049107171,-0.008501532,92.12957842,28.67970108,2.378752782,17.25549597,-5.371591565,-0.929940738,0.095192775,0.200185818,1.764709987,1.957923523,330.7341446,0,1,0,278.2605624,16.68114392,6.52855729,394.5049954,19.86214982,7.334167691,424.0305469,20.59200201,7.512751918,1.191705026,1.076059949,286.3080235,231.5463709,101.1755765,1.236504042,2.829813612,2.288559937,3.754010772,3.828720141,6.541971623,0.708657562,3.346806641,2.544377909,1.779518247,9.595076347,8.74986651,7.112944536,6.789601352,7.741810796,1.686768364,0.524670838,0.944758256,0.838482379,7.74E-10,1.38E-40,4.74E-93,3.14E-167,4.01E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,0.28087429,2.544148414,0.721231225,3.239067057,0.714704912,1.152216656,0.334632323,0.306574633,0.072300705,0.043520549,0.006655236,0.0059055,5.45E-12,9.71E-43,3.34E-95,2.21E-169,2.83E-265,0,0,0,0,0,0,0,0,0,0,0,0,0,0.906696446,2.544164222,0.889488835,4.22006804,1.614829964,1.760641046,1.150106132,1.093093333,0.279015323,0.140826638,0.06934306,0.061539863,5.68E-11,1.01E-41,3.48E-94,2.30E-168,2.95E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,3.15911246,2.544352879,1.697834296,9.094035583,7.996164145,6.532841168,6.216798295,7.027966705,1.544477688,0.494894316,0.841763441,0.747072704,6.90E-10,1.23E-40,4.22E-93,2.80E-167,3.58E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336303737,2.544184289,1.019173738,4.987438988,2.452465662,2.358918392,1.858994045,1.850113721,0.457389984,0.207893508,0.150619377,0.133672805,1.23E-10,2.20E-41,7.55E-94,5.01E-168,6.40E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041753714,2.544483048,2.101141717,11.57729338,11.83773628,9.505140417,9.112123863,10.678548,2.262945585,0.635284194,1.377837127,1.222847749,1.13E-09,2.01E-40,6.91E-93,4.58E-167,5.85E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,2.228358503,2.437120525,1.178062917,6.53531874,4.533551727,3.674582771,3.618009523,3.815306312,1.013587673,0.336321419,0.390442391,0.346515677,3.20E-10,5.70E-41,1.96E-93,1.30E-167,1.66E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,3.218139162,1.447190077,0.756691454,0.593531332,0.26690973,0.473218493,0.399646098,0.417485904,5.422020693,8.187473826,17.13360265,0.390296997,1.290350495,2.482296311,0.927319894,0.27647492,0.673422394,0.251572699,0.280498639,0.163795514,0.056148188,3.686091125,3.244556118,7.567060092,0.510133592,0.500442342,2.774309778,1.133844984,0.467391241,0.634048819,0.259132228,0.350879392,0.245084189,0.160033705,4.375546003,4.972274531,10.81806382,0.451073229,0.755997285,3.199899226,1.434323852,0.744820889,0.594882519,0.266650331,0.467824239,0.392558481,0.40457288,5.379043968,8.04135794,16.83890022,0.392323779,1.264955599,2.904579064,1.22587839,0.552406966,0.620256921,0.261779603,0.384861349,0.286576155,0.223252422,4.68286442,5.842354175,12.49215237,0.430385381,0.894689925,3.275250023,1.487469768,0.793849553,0.589437442,0.267695709,0.490312008,0.422245372,0.459197977,5.556569345,8.652718372,18.07679207,0.384156164,1.371755357,3.211726985,1.435837568,0.747144521,0.595347579,0.266156626,0.471374451,0.393414251,0.406748224,5.394709074,8.083920654,16.92410033,0.393021368,1.271536927 +UMLYSI0197,L,3-decanone,CCCCCCCC(=O)CC,saturated alkanone,C10H20O,928-80-3,13576,PubChem,,50.2,0,-1.5316,2.34579856,40.7998,31.73786,0,0,31,11,20,0,10,0,1,0,0,0,0,0,0,0,1718.930491,1732.682838,1963.29077,1854.411481,1503.799803,1264.758482,1068.001753,871.245024,674.488295,5073.234683,6409.113945,8298.727852,8334.910152,7274.701679,6208.364909,5201.566564,4194.768219,3187.969874,223.126156,220.251168,409.731416,539.25586,476.60658,425.61896,362.73406,299.84916,236.96426,37.4244621,48.7103262,68.6303543,71.9739942,63.48575614,55.52760075,46.50607189,37.48454303,28.46301417,5151.747887,4356.943487,8931.137604,12446.02555,10935.32114,10010.31906,8531.363909,7052.408754,5573.453599,95.52777778,66.91666667,107.75,148.8333333,131.0833333,103.8333333,91.58333333,79.41666667,69.5,55.44937068,57.7560946,34.44369772,24.72548641,22.7848455,21.07930803,20.94121084,20.74392914,20.43903924,163.6527317,213.6371315,145.5917167,111.1321354,110.2227527,103.4727485,101.9915013,99.87543379,96.6051477,7.197617935,7.3417056,7.188270456,7.190078133,7.221311818,7.093649333,7.112432549,7.139265714,7.180735152,1.207240713,1.62367754,1.204041304,0.959653256,0.961905396,0.925460012,0.911883763,0.89248912,0.862515581,166.1854157,145.2314496,156.6866246,165.9470074,165.6866839,166.8386511,167.2816453,167.9144941,168.8925333,3.081541219,2.230555556,1.890350877,1.984444444,1.986111111,1.730555556,1.795751634,1.890873016,2.106060606,0.143632117,-0.04602977,-0.014218499,0.004674013,-0.020813818,0.00131671,-6.99E-04,0.002452988,0.017614181,931.1885439,-48.58179936,-202.8832772,-6.771659688,-217.2928136,11.67330799,10.47251621,9.271724433,8.070932653,1517.384343,-97.40685807,-522.0635174,2.027801679,-212.2383465,7.415925847,7.25591049,7.095895134,6.935879777,1.146603871,-0.004909036,0.067964108,-0.107940462,-0.293980629,-0.014992783,-0.024558884,-0.034124986,-0.043691088,6.747894052,-0.455935989,-2.744079964,-0.017475611,-0.48251632,-0.027147591,-0.027519192,-0.027890794,-0.028262395,37.06387345,-2.510753722,-15.58132974,-0.19426178,-1.916437797,-0.262972921,-0.268951523,-0.274930125,-0.280908726,35.41935484,-0.236472425,1.046132501,-1.643600416,-8.298733958,-1.231009365,-1.689906348,-2.065469997,0.505202914,0.004633294,-0.001534326,-2.49E-04,6.23E-05,-3.15E-04,2.19E-05,-1.37E-05,5.84E-05,5.34E-04,30.03834012,-1.619393312,-3.559355741,-0.090288796,-3.292315358,0.194555133,0.205343455,0.220755344,0.244573717,48.94788204,-3.246895269,-9.159009077,0.027037356,-3.215732523,0.123598764,0.142272755,0.168949884,0.210178175,0.036987222,-1.64E-04,0.001192353,-0.001439206,-0.004454252,-2.50E-04,-4.82E-04,-8.12E-04,-0.001323972,0.217674002,-0.015197866,-0.048141754,-2.33E-04,-0.007310853,-4.52E-04,-5.40E-04,-6.64E-04,-8.56E-04,1.195608821,-0.083691791,-0.273356662,-0.002590157,-0.029036936,-0.004382882,-0.005273559,-0.006545955,-0.008512386,1.142559834,-0.007882414,0.018353202,-0.021914672,-0.125738393,-0.020516823,-0.033135419,-0.049177857,0.015309179,-0.331152226,-0.053838013,0.01345051,-0.068064076,0.004736408,-0.00295758,0.012605389,0.115201638,-0.053910879,-0.118493756,-0.003005785,-0.109603771,0.006476894,0.006836045,0.007349119,0.008142052,-0.066333723,-0.187117577,5.52E-04,-0.065697072,0.00252511,0.002906617,0.003451628,0.004293918,-0.004424083,0.032236884,-0.038910902,-0.120426778,-0.006755839,-0.013019274,-0.021967037,-0.0357954,-0.069819391,-0.221164463,-0.001070445,-0.03358625,-0.002078612,-0.0024789,-0.003050739,-0.00393449,-0.069999309,-0.228633862,-0.002166392,-0.024286318,-0.003665816,-0.004410773,-0.005474998,-0.007119708,-0.006898907,0.01606323,-0.019180328,-0.110049723,-0.017956891,-0.029001036,-0.043041822,0.013399017,1.167245481,0.849842336,1.113789252,1.238792665,0.798729558,0.894160421,1.011012124,1.13269008,1.308663181,1.172257536,0.979975304,1.105479373,0.905012348,0.911764706,0.921410931,0.936318735,1.495005851,1.33942913,0.943269097,1.011796832,0.923365452,0.911764706,0.895192212,0.869580176,0.566361249,0.563511276,1.198632618,1.41281495,0.795683691,0.911764706,1.077594727,1.333877488,1.547290868,1.393232872,0.941707147,0.977567911,0.924146427,0.911764706,0.894076533,0.866740267,1.549989628,1.398673661,0.945000467,0.972733921,0.922499767,0.911764706,0.896428905,0.872728121,0.54348816,0.54361199,1.184380692,1.419143622,0.791704614,0.923113325,1.109159511,1.316477618,75.31853685,37.78426843,60.25918336,75.52308231,6.865734755,37.78426843,0.25,0.119793342,0.010890304,-2.334185887,55.53982605,5.049075095,4.418810385,75.32042119,37.78484338,60.25986487,75.52436575,6.865851432,37.78484338,0.249265579,0.119778211,0.010888928,-2.334324841,55.54048626,5.049135115,4.418823461,77.00409418,38.30254985,60.8776087,76.67764415,6.970694923,38.30254985,-0.398994478,0.105956093,0.009632372,-2.469203536,56.22584658,5.111440598,4.43231421,75.32239887,37.78544683,60.26058016,75.52571279,6.86597389,37.78544683,0.2484948,0.119762329,0.010887484,-2.334470704,55.54117942,5.049198129,4.418837189,78.81944545,38.8685756,61.56350031,77.93393197,7.084902906,38.8685756,-1.082294264,0.090258247,0.008205295,-2.645588337,57.22820202,5.20256382,4.451751501,75.51604882,37.8445915,60.3307378,75.65770407,6.877973097,37.8445915,0.173134186,0.118203477,0.010745771,-2.348882532,55.61022342,5.055474856,4.420203765,82.18933516,41.10067423,66.42674206,82.59529476,7.50866316,41.10067423,0.637936508,0.155911816,0.014173801,-2.044311182,53.2568435,4.841531227,4.372638944,0,11.89,15.99491714,-0.299215905,0.132459274,4.419795142,7.48678614,10,30,29,29,9,1,1,0,0,1,22.82214,3.580851022,3.395718691,3.076459527,2.743425406,2.47049691,2.047042625,1.627008511,1.556645979,1.917600717,1.785321345,1.62924513,1.391983636,1.113614916,0.905398306,0.763871794,0.613983172,3.563725162,3.397586731,3.108188976,2.774873128,2.443986046,2.067557823,1.717064381,1.529601559,1.868782252,1.741305713,1.552043206,1.307922061,1.037774385,0.805129495,0.626261203,0.473056739,3.694391202,3.544013638,3.281334846,2.991889571,2.713650579,2.387650074,2.097082702,1.967102136,1.69240576,1.541937109,1.31000916,1.019842252,0.700879703,0.405766787,0.167319455,0.026433685,3.573934151,3.409581275,3.13478019,2.806432111,2.462267394,2.103231747,1.783680296,1.566680717,1.841392074,1.713176511,1.502521645,1.254175943,0.994344171,0.740888059,0.534159981,0.389842812,3.73887813,3.597099683,3.361178593,3.085063105,2.79910701,2.509280018,2.265280059,2.103471476,1.645466045,1.490861583,1.234694748,0.929944017,0.610661429,0.285436644,0.005092608,0.187154619,5.00929596,3.51684764,3.275390605,3.186176099,2.837010711,2.379602029,2.053470421,1.892341575,1.790506003,1.583633933,1.388654888,1.119766491,0.782145722,0.525916297,0.388565546,0.2076726,0,0,0,1,0,2,7,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.102062073,0,0,0,0.49279928,0.348461713,0.24639964,0.174230856,0.12319982,0.087115428,8.527097737,5.308060412,3.716308703,2.497400241,1.300476816,0.794575975,0.473461713,0.267537387,0.775190703,0.530806041,0.37163087,0.277488916,0.185782402,0.132429329,0.094692343,0.066884347,7.857995759,4.825444489,3.056442088,1.953506421,1.10249887,0.654584427,0.374472739,0.194709692,0.714363251,0.482544449,0.305644209,0.217056269,0.157499839,0.109097404,0.074894548,0.048677423,16.13307714,30.20903132,28.60392157,29,18.46578443,238.4370719,0.520421843,0.974484881,0.922707147,0.935483871,0.595670466,7.691518447,3.326,48.674,38.90378818,61.4804695,77.80757635,7.073416032,38.90378818,0.088034518,0.008003138,-2.673028917,56.71381963,5.155801785,4.441819705,137,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,2,0,0,0,0,0,0,0,0,0,0,2,0,7,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84449413,0.418054138,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.601356844,0.802777778,0,0,0,0,0,0,0,0,0,0,4.144416651,0,7.759701751,0,0,0,0,0,0,0.418054138,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84449413,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84449413,0.418054138,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.219338349,0.401388889,0,0,0,0,0,0,0,0,0,0,1.938865347,0,0.716049383,0,0,0,0,0,0,0.418054138,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84449413,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84449413,0.418054138,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.205551304,0,1.319757417,0,0,0,0,0,0,0.418054138,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84449413,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.16666667,2.106060606,0.420776447,10.84449413,0.219338349,0.418054138,5.471618604,1.248612528,3.844494126,8.10009086,1.248612528,3.844494126,8.10009086,5.33333,0.48485,0,0.01515,0.46667,0.7697,0.42571,0.46667,0.7697,0.04095,0,-0.04095,0,0.62992,0.08437,0,0.25,0.09375,0,6.75,0.61364,5.25,0.47727,1.5,0.13636,-3.75,-0.34091,0,0,10.75262,0.97751,12.94176,2.18914,0.19901,4.61989,0.41999,5.30805,0.68816,0.06256,0.10595,0.00963,0.10595,0.00963,0,10.01,1,1,1,1,0,0,0.9,1.094265896,1.662318815,2.866162247,3.760017278,3.716630892,3.300611635,33.92224278,51.53188325,88.85102967,116.5605356,115.2155576,102.3189607,0.220876572,0.335537534,0.578532232,0.758956053,0.750198551,0.666225444,3.859930414,3.291877496,2.088034063,1.194179033,1.237565419,1.653584675,0.220876572,0.335537534,0.578532232,0.758956053,0.750198551,0.666225444,9.285756372,16.10239139,20.01392912,22.33312375,20.16188013,19.03343293,41.02908987,29.25508677,25.72173752,19.90296217,23.48607614,26.02442804,11,8.1,7.901234568,11,1,10,2.45,1.5333,0.111111111,3.715889755,0.534522484,0,8.507275945,2.734687361,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,5.384,10,9,7,6,5,4,3,1,0,66,2.48490665,2.564949357,2.48490665,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,0.693147181,0,4.343805422,1.151515152,0.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0.7,9,0.9,0,5,9,0.8,1.5,0.666666667,0.25,0.16,0.111111111,0.081632653,0.0625,0.024691358,0,0,0.15,0.066666667,0.027777778,0.022857143,0.018518519,0.016326531,0.015625,0.008230453,0,0,0.326002089,38.90378818,61.4804695,77.80757635,7.073416032,38.90378818,0.088034518,0.008003138,-2.673028917,56.71381963,5.155801785,4.441819705,17.07,187.670073,4.459431619,3.713572067,4.369447852,5.056245805,5.733341277,6.428105273,7.112327445,7.810758117,8.498010372,9.198369,78.92017721,3.044522438,0,4.110873864,0,5.332718793,0,6.618738984,0,7.937731775,8.254788926,156.1514153,5.037142428,20.65555438,1.877777671,2.448966355,2.448966355,0,206,9,3.536,40,1.238233333,2.138336393,2.879129144,3.631437731,4.947849963,5.948955676,7.27779159,8.361783435,9.683518838,10.7178502,82.50089296,82.44294566,82.49493674,103.2738232,121.0478879,145.1990549,167.7074292,188.9435266,140.8246011,53.38595451,290.4340673,334.0675668,350.5151719,466.0971061,561.9327417,672.6082092,778.7246841,865.3000257,896.4022074,653.6719811,9.123537952,15.44487103,20.76927843,26.26753838,35.19500016,42.42499248,52.03954717,60.10191293,70.30191369,73.53692717,2.151826072,2.706863414,2.940867724,3.93291342,4.893173493,5.858145781,6.830656872,7.596555026,8.332154458,7.328345858,177.605555,331.4706553,474.0647866,587.0407003,816.4162093,980.7399124,1211.586187,1398.945249,1629.287553,1860.094818,2.821302778,4.203622235,5.821975482,7.228832922,8.726232267,10.87788954,13.91501338,17.78007979,20.9429243,14.549411,0.45388925,0.588624925,0.656006531,0.868734353,1.078147687,1.297975874,1.532084887,1.73024848,1.906204015,1.624730626,518.0177362,354.8820946,15.01607829,189.900072,-130.0961929,-18.17170732,328.1176642,484.9782875,33.18778561,0.731748418,0.501304093,0.021211613,0.268251582,-0.183773019,-0.025669233,366.7139805,251.2273546,10.63014923,134.4336428,-92.09741172,-12.86407522,0.193216876,0.436712193,2.916676883,12.32513382,679.6952534,28.22255487,0.960133006,0.039866994,692.6218749,26.31771029,8.847734213,886.3625965,29.77184234,9.605879632,1173.056042,34.24990573,10.54644892,3.493696791,3.493696791,2060.503986,2000.510857,90.03945683,1.029988904,22.88445597,22.21815777,5.377802009,6.899313893,12.47093028,0.807560936,5.591226105,8.623807335,4.026178552,28.08341991,13.37959121,0.598715368,5.031699703,10.64697076,20.18419599,5.597495273,1.854311977,16.00964854,8.475294784,8.95642417,5.171191678,1.281604256,4.37840885,4.392409597,1.979756675,4.429929569,1.633079871,0.892421504,0.047027444,1.97420796,1.39E-12,2.04E-46,5.76E-102,3.14E-179,3.30E-278,0,0.485726627,8.623456822,0.321132871,8.366219882,0.298977868,0.059544229,0.950042532,0.450471823,6.656893437,0.148812421,0.075333486,2.022207939,0.250873675,3.80795701,0.221686426,0.117793002,0.378610159,0.183697576,1.10917682,0.20071484,0.164692903,0.006485951,0.003944314,0.013904508,9.82E-15,1.44E-48,4.06E-104,2.21E-181,2.32E-280,0,1.520606839,8.623363113,0.899585066,9.372040257,1.260157288,0.107524273,1.755766909,1.679655129,7.85890615,0.691865476,0.287692384,3.998393266,1.112829675,4.378992306,0.855518597,0.321618893,1.020998664,0.600712285,1.244071442,0.760647259,0.388156781,0.065998372,0.012734291,0.144895695,1.02E-13,1.50E-47,4.23E-103,2.30E-180,2.42E-279,0,5.282772189,8.623827433,4.080306839,26.46529323,12.54965292,0.725498081,4.79726889,9.875460013,19.91129622,5.06258819,1.692067276,15.20714795,7.683738012,9.101152277,4.735004828,1.198435366,4.128326127,4.243337141,1.911315893,4.063708263,1.516206169,0.795264075,0.044388437,1.75898375,1.24E-12,1.82E-46,5.13E-102,2.80E-179,2.94E-278,0,2.233519278,8.623353006,1.262293034,10.90438445,2.281488953,0.112811514,2.31831138,2.737383848,9.020257478,1.233643606,0.478236411,5.634158334,1.946838727,4.852261848,1.402405467,0.471554694,1.507909689,0.951059061,1.349383335,1.235091376,0.564202447,0.142875959,0.018769584,0.314732811,2.22E-13,3.25E-47,9.19E-103,5.00E-180,5.25E-279,0,6.75223827,8.624039673,5.258880571,37.31678396,19.41741069,0.873969951,5.971148759,14.45631292,25.41875412,7.806624865,2.515591144,20.21362319,11.73774166,10.6045452,6.937413054,1.603125056,5.553865528,6.171228161,2.250357537,5.907726725,2.096444464,1.300885403,0.05680019,2.879196771,2.03E-12,2.98E-46,8.40E-102,4.58E-179,4.81E-278,0,3.58044609,8.158670015,4.360319727,19.8263775,9.020939154,1.436675755,3.375572977,5.915858913,19.76711101,2.41387139,0.855058905,11.8085925,3.723789755,10.77859222,2.43957145,0.74428181,2.824808927,3.627911998,1.797074469,2.11677512,1.09464904,0.342413251,0.035974754,0.755356431,5.34E-13,7.81E-47,2.20E-102,1.20E-179,1.26E-278,0,14.65223998,0.841533275,0.480855494,0.917219437,0.052679364,0.55730592,0.607012562,0.580629567,15.97462875,19.78061348,41.68435756,0.875829155,1.744948049,12.85932054,0.495133591,0.096153252,0.956040138,0.036811244,0.429008541,0.202616694,0.023216563,13.45060738,7.65115575,21.71397873,0.934060207,0.654841799,13.65084765,0.585510349,0.250317007,0.942303713,0.040417166,0.483559168,0.293577523,0.157344185,14.48667501,11.55631509,28.04370199,0.91345557,0.934480876,14.55802959,0.844446937,0.465772604,0.917431373,0.053216138,0.550015095,0.611017879,0.544775873,15.86824913,19.46753509,41.06175204,0.87614706,1.705808846,14.00149872,0.639496868,0.322316898,0.935721869,0.042737654,0.508948955,0.350460288,0.260877206,14.96331248,13.67295487,31.52226533,0.903582803,1.120286449,14.76586733,0.878976199,0.509067311,0.914073841,0.054412594,0.565963408,0.662260819,0.650759331,16.15391084,20.94312436,43.7041414,0.871110762,1.878983558,14.59818638,0.848740209,0.466006113,0.917378754,0.053336505,0.553016226,0.616992656,0.545322241,15.9129327,19.58842998,41.27521,0.876068131,1.715331124 +UMLYSI0198,L,4-methyl-1-pentene,CC(C)CC=C,alkenes,C6H12,691-37-2,12724,PubChem,,50.2,0,1.3428,1.80311184,29.2804,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,935.269613,711.341067,448.123874,129.199392,12.192768,0,0,2914.106344,3494.423905,4316.776942,4167.761199,2917.313939,1396.036119,373.0049332,0,0,125.864664,123.114164,212.450036,259.83102,268.055048,124.924032,80.621568,0,0,22.06875486,27.30703172,36.43165651,38.20002968,29.38672294,14.69234634,5.335354858,0,0,2979.777961,2471.442353,4716.396308,5968.090942,6745.79569,3010.566693,2219.011824,0,0,37.02777778,40.66666667,53.83333333,65.33333333,59.66666667,34,12,0,0,48.76541633,50.97680359,31.17565377,19.22543424,11.49035574,7.177744,1.016064,0,0,161.8947969,205.5543474,143.8925647,112.6421946,74.80292151,77.55756218,31.08374443,0,0,6.992481333,7.242009647,7.081667867,7.02246,6.873206359,6.940224,6.718464,0,0,1.226041937,1.606295984,1.21438855,1.032433235,0.753505716,0.816241463,0.444612905,0,0,165.54322,145.3789619,157.2132103,161.2997552,172.9691202,167.2537052,184.917652,0,0,2.057098765,2.392156863,1.794444444,1.765765766,1.52991453,1.888888889,1,0,0,0.044427613,-0.008965497,-0.014090422,-0.004657831,0.007177535,-0.016508382,0.01483079,0,0,484.264036,-53.80711511,-80.71067267,-269.0355756,161.4213453,-161.4213453,161.4213453,0,0,900.5096538,-100.0566282,-150.0849423,-500.283141,300.1698846,-300.1698846,300.1698846,0,0,0.094864,-0.010540444,-0.015810667,-0.052702222,0.031621333,-0.031621333,0.031621333,0,0,4.025697139,-0.447299682,-0.670949523,-2.236498411,1.341899046,-1.341899046,1.341899046,0,0,21.86765075,-2.429738973,-3.644608459,-12.14869486,7.289216918,-7.289216918,7.289216918,0,0,5.470679012,-1.470764746,-0.159465021,-1.765346365,2.694701646,-3.294753086,1.260288066,0,0,0.002468201,-5.27E-04,-4.70E-04,-1.26E-04,1.84E-04,-9.17E-04,0.001235899,0,0,26.90355756,-3.165124418,-2.690355756,-7.271231772,4.139008855,-8.967852519,13.45177878,0,0,50.0283141,-5.885684011,-5.00283141,-13.52116597,7.696663707,-16.6761047,25.01415705,0,0,0.005270222,-6.20E-04,-5.27E-04,-0.001424384,8.11E-04,-0.001756741,0.002635111,0,0,0.223649841,-0.026311746,-0.022364984,-0.060445903,0.034407668,-0.074549947,0.111824921,0,0,1.214869486,-0.142925822,-0.121486949,-0.328343104,0.186902998,-0.404956495,0.607434743,0,0,0.303926612,-0.086515573,-0.005315501,-0.047712064,0.069094914,-0.183041838,0.105024005,0,0,-0.213670709,-0.190292767,-0.05100368,0.074564184,-0.37157931,0.500728802,0,0,-0.117647059,-0.1,-0.27027027,0.153846154,-0.333333333,0.5,0,0,-0.117647059,-0.1,-0.27027027,0.153846154,-0.333333333,0.5,0,0,-0.117647059,-0.1,-0.27027027,0.153846154,-0.333333333,0.5,0,0,-0.117647059,-0.1,-0.27027027,0.153846154,-0.333333333,0.5,0,0,-0.117647059,-0.1,-0.27027027,0.153846154,-0.333333333,0.5,0,0,-0.284659421,-0.017489422,-0.156985476,0.227340783,-0.6022567,0.345557123,0,0,1.486837637,1.096703292,0.927418842,0.732238503,1.660772749,0.171412762,0,0,1.5,1.204166667,1.263513514,0.599358974,1.180555556,0,0,0,1.5,1.204166667,1.263513514,0.599358974,1.180555556,0,0,0,1.5,1.204166667,1.263513514,0.599358974,1.180555556,0,0,0,1.5,1.204166667,1.263513514,0.599358974,1.180555556,0,0,0,1.5,1.204166667,1.263513514,0.599358974,1.180555556,0,0,0,1.624823695,0.75528914,1.003163954,0.566605186,2.416925247,0,0,0,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,20.24631264,10.12315632,15.92841058,20.24631264,3.37438544,10.12326216,-1.78E-15,0.016866956,0.002811159,-2.449439287,17.58017058,2.930028429,1.720062957,30.47194687,15.03111233,24.23596966,30.19879873,5.033133121,15.03111302,-0.409722222,0.07246744,0.012077907,-1.57477075,14.46318437,2.410530728,1.602963847,0,11.79,12.21003864,-0.306825676,0.113388988,5.124354161,7.412007173,5,17,16,16,4,1,1,0,0,1,13.118484,3.494018132,3.029130969,2.333552793,2.103266247,1.109116892,0.871664064,0.083923071,0.083923071,1.884575859,1.545299122,1.249629723,1.006023519,0.418142065,0.333540386,0.083923071,0.083923071,3.519622947,3.063686206,2.405454588,2.171084284,1.219049038,1.002916581,0.270913902,0.270913902,1.82608164,1.470540254,1.134540686,0.889412067,0.265130178,0.170625408,0.270913902,0.270913902,3.633521744,3.217086891,2.704236987,2.459835573,1.664422796,1.51479584,0.943918427,0.943918427,1.65650868,1.247838048,0.76031856,0.515068227,0.254526309,0.394817936,0.943918427,0.943918427,3.538557411,3.089248084,2.457539916,2.220656736,1.298159117,1.096025329,0.399277246,0.399277246,1.789043687,1.422620954,1.058262671,0.812442147,0.162058693,0.06009497,0.399277246,0.399277246,3.689739079,3.292094647,2.838982085,2.592983945,1.857726164,1.729245421,1.207644823,1.207644823,1.604463575,1.178080874,0.631337262,0.388476204,0.442200776,0.605254737,1.207644823,1.207644823,3.549920844,3.185260083,2.511069867,2.262249816,1.345625704,1.148869465,0.507042254,0.507042254,1.855456745,1.309768955,0.989943107,0.723131563,0.114684593,0.032242705,0.507042254,0.507042254,0,0,1,1,0,2,1,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.288675135,0,0.23570226,0.166666667,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.568914101,2.37944541,1.918224245,0.638071187,0.333333333,0,0,0,0.761485683,0.475889082,0.383644849,0.212690396,0.166666667,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,4,1,0,2,0,0,0,0,0,0,0,0,2,1,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.549907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.386597222,0.328472222,0,0,0.984930556,0.290277778,0,0.715069444,0,0,0,0,0,0,0,0,4.364444444,3.600833333,1.138888889,0,1.949074074,0,0.780092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.386597222,0.328472222,0,0,0.225625,0.290277778,0,0.328472222,0,0,0,0,0,0,0,0,2.182222222,3.600833333,1.138888889,0,1.949074074,0,0.780092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.600833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.386597222,0.328472222,0,0,0.290277778,0.290277778,0,0.386597222,0,0,0,0,0,0,0,0,2.182222222,3.600833333,1.138888889,0,1.949074074,0,0.780092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.972222222,0.386597222,3.600833333,0.225625,0.780092593,4.456729537,0.553240741,0.600833333,1.930555556,0.553240741,0.600833333,1.930555556,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.49385,0.74898,5.69868,1.20483,0.20081,2.20517,0.36753,2.77005,0.56488,0.09415,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.209690973,2.974937501,2.974937501,2.743275001,1.927736112,16.52932501,39.77443751,53.54887502,53.54887502,49.37895002,34.69925001,0.220218789,0.529911443,0.7134271,0.7134271,0.657871544,0.462295152,3.251629167,1.960234029,1.1949875,1.1949875,1.42665,2.24218889,0.220218789,0.529911443,0.7134271,0.7134271,0.657871544,0.462295152,6.73287657,16.28447751,17.05571211,17.05571211,14.27576211,8.360892138,23.69925001,15.57894792,14.82857223,14.82857223,13.43859723,9.954219449,6,3.2,5.333333333,6,2,5,2.12,0.911,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.126,0.12,0.128,0.152,2.433,5,3,2,0,0,0,0,0,0,21,1.945910149,1.945910149,1.609437912,1.609437912,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,109.6959078,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,84.09390038,4.671883355,10.67917749,1.779862916,0,0,0,32,3,3.327,20,1.219,2.123579622,2.909438799,3.498403342,4.533909411,5.439833782,0,0,0,0,72.30904117,74.90014097,62.60967458,48.90558465,35.28795907,5.527219272,0,0,0,0,274.3286679,330.2950322,346.1482562,290.3103911,372.3407054,169.090403,0,0,0,0,8.860546952,15.09408561,20.47058789,24.12522901,31.56512981,36.54732743,0,0,0,0,2.086978642,2.72943982,3.114291036,2.822167601,3.866306651,2.4186203,0,0,0,0,175.1912326,329.8629259,466.5129854,599.1412027,750.4447495,1005.92129,0,0,0,0,2.980509804,3.962617959,5.26983962,5.693757123,8.923678441,5.439833782,0,0,0,0,0.432999265,0.575542722,0.666205125,0.613644371,0.844916658,0.557038979,0,0,0,0,332.0077004,130.8876858,10.31992935,148.0602511,-58.36992212,-9.364469661,183.9474494,189.2576079,19.68439901,0.691584805,0.272644082,0.02149681,0.308415195,-0.121586792,-0.01950655,159.3862566,62.83498318,4.954267343,71.07898143,-28.02152894,-4.495581767,0.143667885,0.260309515,2.32010635,6.71283422,480.0679515,0,1,0,331.0578085,18.19499405,6.917799096,447.9391783,21.16457366,7.651378443,499.7272835,22.35458082,7.935561963,1.544623655,1.281441922,305.7734471,260.2967645,69.20063206,1.174710903,4.418651073,3.76147958,3.632738058,3.477616438,6.522110511,0.875454245,3.591793317,3.914864138,2.977028568,11.37549192,4.730848996,3.837831281,3.935320114,4.874650797,2.392507191,1.299852585,0.680943934,1.904596212,2.41E-10,5.90E-42,2.78E-95,2.53E-170,4.43E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0.301445031,3.914691837,0.183261635,5.070796325,0.425864526,0.236441932,0.325373996,0.248986696,0.826555723,0.059926547,0.035428352,0.013414227,1.70E-12,4.15E-44,1.96E-97,1.78E-172,3.12E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0.973075264,3.914703751,0.635462187,5.911167562,0.724026083,0.812572135,0.834786224,0.909252444,1.012558254,0.22584383,0.128678013,0.139786586,1.77E-11,4.33E-43,2.04E-96,1.85E-171,3.25E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390360553,3.914845363,2.764228022,10.83154783,4.261911826,3.56111136,3.633855849,4.491025604,2.249362812,1.193104493,0.627801015,1.696960935,2.15E-10,5.25E-42,2.48E-95,2.25E-170,3.95E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.434128364,3.914718835,0.980940178,6.620646469,1.101090138,1.255274922,1.252017769,1.446809145,1.179924102,0.365625813,0.204126536,0.303635144,3.85E-11,9.40E-43,4.43E-96,4.03E-171,7.06E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,4.337608177,3.914942997,3.812357793,13.56884096,6.700316172,4.926263074,5.142869642,6.409090365,2.976186965,1.730110029,0.893178314,2.777674578,3.52E-10,8.60E-42,4.05E-95,3.69E-170,6.46E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.912741976,2.66705862,1.272767873,6.580451539,1.538225129,1.774429248,1.956126828,2.081434118,1.866626158,0.673748467,0.277502053,0.489656158,6.20E-11,1.52E-42,7.15E-96,6.50E-171,1.14E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,3.583899784,1.259905539,0.480005145,0.673183203,0.236654845,0.46266578,0.494336745,0.404705929,5.323810468,6.840426666,14.33164046,0.509774805,1.361708453,2.980623029,0.681968549,0.142250932,0.78337619,0.179236998,0.320430667,0.146884908,0.035100426,3.804842511,2.55369823,6.647692953,0.675064285,0.502416002,3.220173572,0.910454621,0.277499087,0.730508302,0.206540003,0.373798526,0.259671326,0.135156708,4.408127279,4.078067459,9.299772641,0.595762452,0.76862656,3.568959284,1.245511119,0.471734699,0.675145821,0.23561536,0.458829359,0.483183075,0.390943274,5.286205101,6.716331215,14.09948124,0.512718732,1.332955708,3.326973305,1.01281638,0.337246447,0.711342229,0.216550899,0.398912492,0.320612296,0.199936486,4.677036132,4.83319171,10.64661787,0.567013343,0.919461273,3.630676097,1.304989304,0.505877431,0.667214466,0.239819725,0.474780104,0.530097455,0.449253558,5.441542831,7.234835203,15.073222,0.5008217,1.454131117,3.597864274,1.243664971,0.470530604,0.677301156,0.234121039,0.466329675,0.481927808,0.388917064,5.312059849,6.752625448,14.17009226,0.515951733,1.337174547 +UMLYSI0199,L,n-nonane,CCCCCCCCC,linear alkanes,C9H20,111-84-2,8141,PubChem,,50.1,0,-1.9134,3.66109956,32.1786,29.17586,0,0,29,9,20,0,9,0,0,0,0,0,0,0,0,0,1318.698369,1396.254728,1434.698671,1265.37567,1068.618941,871.862212,675.105483,478.348754,281.592025,4433.327004,5682.867541,7269.751946,7102.214701,6095.416356,5088.618011,4081.819666,3075.021321,2068.222976,202.233924,202.676768,382.123132,500.63676,437.75186,374.86696,311.98206,249.09716,186.21226,33.9923581,44.5820862,63.1627743,66.14579387,57.12426502,48.10273616,39.0812073,30.05967844,21.03814958,4839.502245,4076.805803,8497.656591,12011.47804,10532.52289,9053.567731,7574.612576,6095.657421,4616.702266,43.75,52.5,83.25,98,85.75,73.5,61.25,49,37,45.47235755,49.86624029,26.56849391,17.57466208,16.96220541,16.14559652,15.00234407,13.28746539,10.42933426,152.873345,202.9595551,134.625036,98.64187085,96.75264057,94.23366687,90.70710369,85.41725893,76.60085098,6.973583586,7.238456,7.076354296,6.953288333,6.948442222,6.941980741,6.932934667,6.919365556,6.89675037,1.172150279,1.592217364,1.169681006,0.918691582,0.906734365,0.89079141,0.868471273,0.834991068,0.779190725,166.8793878,145.6002072,157.3640109,166.8260839,167.1829029,167.6586617,168.3247239,169.3238172,170.9889728,1.50862069,1.875,1.541666667,1.361111111,1.361111111,1.361111111,1.361111111,1.361111111,1.37037037,0.041528146,-0.004413885,-0.019035771,-9.91E-05,-2.72E-06,1.49E-06,1.32E-05,4.11E-05,-2.27E-04,751.4441938,-57.58193056,-326.3455914,-12.09220542,-12.66802472,-13.24384403,-13.81966333,-14.39548264,-14.97130195,1397.342566,-107.0760587,-606.8535627,-22.48597233,-23.55673292,-24.6274935,-25.69825409,-26.76901468,-27.83977526,0.147202759,-0.011279905,-0.063928861,-0.00236878,-0.002481579,-0.002594378,-0.002707177,-0.002819976,-0.002932775,6.246771423,-0.478679803,-2.712917781,-0.100522759,-0.105309557,-0.110096355,-0.114883153,-0.119669951,-0.124456749,33.93256151,-2.600196285,-14.73661244,-0.54604122,-0.572043183,-0.598045145,-0.624047108,-0.650049071,-0.676051034,2.706896552,-0.665279429,-0.928359096,0.038049941,0.033293698,0.028537455,0.023781213,0.01902497,0.264268728,0.001432005,-1.58E-04,-3.53E-04,-1.38E-06,-4.32E-08,2.75E-08,2.94E-07,1.14E-06,-8.41E-06,25.91186875,-2.05649752,-6.043436879,-0.167947297,-0.201079758,-0.245256371,-0.30710363,-0.399874518,-0.554492665,48.18422642,-3.824144954,-11.23802894,-0.312305171,-0.373916395,-0.456064695,-0.571072313,-0.743583741,-1.031102788,0.005075957,-4.03E-04,-0.001183868,-3.29E-05,-3.94E-05,-4.80E-05,-6.02E-05,-7.83E-05,-1.09E-04,0.215405911,-0.017095707,-0.050239218,-0.001396149,-0.00167158,-0.002038821,-0.002552959,-0.003324165,-0.004609509,1.170088328,-0.092864153,-0.27290023,-0.007583906,-0.009080051,-0.01107491,-0.013867714,-0.018056919,-0.025038927,0.09334126,-0.02375998,-0.017191835,5.28E-04,5.28E-04,5.28E-04,5.28E-04,5.28E-04,0.009787731,-0.110082529,-0.246168323,-9.62E-04,-3.02E-05,1.92E-05,2.05E-04,7.98E-04,-0.005874389,-0.079365079,-0.233230453,-0.006481481,-0.007760141,-0.009465021,-0.011851852,-0.015432099,-0.021399177,-0.079365079,-0.233230453,-0.006481481,-0.007760141,-0.009465021,-0.011851852,-0.015432099,-0.021399177,-0.079365079,-0.233230453,-0.006481481,-0.007760141,-0.009465021,-0.011851852,-0.015432099,-0.021399177,-0.079365079,-0.233230453,-0.006481481,-0.007760141,-0.009465021,-0.011851852,-0.015432099,-0.021399177,-0.079365079,-0.233230453,-0.006481481,-0.007760141,-0.009465021,-0.011851852,-0.015432099,-0.021399177,-0.254549591,-0.18418259,0.005661713,0.005661713,0.005661713,0.005661713,0.005661713,0.104859637,1.641971499,1.393411127,0.917063517,0.912820705,0.908279745,0.901809884,0.891761949,0.880605164,1.611111111,1.420164609,0.939814815,0.930864198,0.918930041,0.902222222,0.877160494,0.835390947,1.611111111,1.420164609,0.939814815,0.930864198,0.918930041,0.902222222,0.877160494,0.835390947,1.611111111,1.420164609,0.939814815,0.930864198,0.918930041,0.902222222,0.877160494,0.835390947,1.611111111,1.420164609,0.939814815,0.930864198,0.918930041,0.902222222,0.877160494,0.835390947,1.611111111,1.420164609,0.939814815,0.930864198,0.918930041,0.902222222,0.877160494,0.835390947,1.847133758,1.149327672,0.790162774,0.820948337,0.861995754,0.919462137,1.005661713,1.053550366,55.48437864,27.74218932,44.32390806,55.48437864,6.16493096,27.74218932,3.55E-15,1.22E-15,1.36E-16,-30.90501477,2000019.329,222224.3699,13.05780066,55.48437864,27.74218932,44.32390806,55.48437864,6.16493096,27.74218932,3.55E-15,1.22E-15,1.36E-16,-30.90501477,2000019.329,222224.3699,13.05780066,55.48437864,27.74218932,44.32390806,55.48437864,6.16493096,27.74218932,3.55E-15,1.22E-15,1.36E-16,-30.90501477,2000019.329,222224.3699,13.05780066,55.48437864,27.74218932,44.32390806,55.48437864,6.16493096,27.74218932,3.55E-15,1.22E-15,1.36E-16,-30.90501477,2000019.329,222224.3699,13.05780066,55.48437864,27.74218932,44.32390806,55.48437864,6.16493096,27.74218932,3.55E-15,1.22E-15,1.36E-16,-30.90501477,2000019.329,222224.3699,13.05780066,55.48437864,27.74218932,44.32390806,55.48437864,6.16493096,27.74218932,3.55E-15,1.22E-15,1.36E-16,-30.90501477,2000019.329,222224.3699,13.05780066,61.71840483,30.7943876,49.64335334,61.61758179,6.846397976,30.7943876,-0.12962963,7.77E-16,8.64E-17,-31.31180138,2000019.037,222224.3374,13.05780053,0,11.89,12.11013444,-0.170505158,0.049842857,5.107464722,7.327660031,8,28,28,28,8,0,0,0,0,0,21.86414,3.501210758,3.293101695,2.972029979,2.575531306,2.15303244,1.759359301,1.441039877,1.220696104,1.925492739,1.788607438,1.576979922,1.320282095,1.06046679,0.837753104,0.673163678,0.566353487,3.530384202,3.327366954,3.014671681,2.629759571,2.22194955,1.845382634,1.544392192,1.338291939,1.864439138,1.718100381,1.493074919,1.220685282,0.94410117,0.705472272,0.528170174,0.412887556,3.657651319,3.476869653,3.199932865,2.862981141,2.513667727,2.201803,1.962161742,1.803255548,1.682860544,1.506432068,1.23630868,0.908182925,0.569208382,0.26821579,0.038269785,0.113595148,3.551821977,3.352557552,3.045997118,2.669494685,2.272217781,1.907707617,1.618645465,1.422104473,1.825391288,1.672812438,1.438735976,1.155529416,0.867201107,0.617228045,0.430697998,0.309185444,3.719037154,3.548797436,3.288241071,2.972328688,2.647444332,2.361009518,2.143791143,2.001016242,1.625561277,1.439200858,1.153436185,0.80489372,0.441800162,0.115186524,0.137877612,0.306708511,3.556907342,3.407257029,3.13940861,2.777730392,2.381184753,2.018844062,1.739525693,1.555492573,1.801113319,1.605982991,1.328312874,1.020032905,0.724266875,0.47024944,0.275963414,0.14581734,0,0,0,0,0,2,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.949747468,4.414213562,2.767766953,1.707106781,1.030330086,0.603553391,0.338388348,0.176776695,0.772194163,0.551776695,0.395395279,0.284517797,0.206066017,0.150888348,0.112796116,0.088388348,6.949747468,4.414213562,2.767766953,1.707106781,1.030330086,0.603553391,0.338388348,0.176776695,0.772194163,0.551776695,0.395395279,0.284517797,0.206066017,0.150888348,0.112796116,0.088388348,14.41827804,27.87836854,26.25490196,26.6,16.98554491,223.5398563,0.497182001,0.961323053,0.905341447,0.917241379,0.585708445,7.708270906,3.7569,43.667,27.74218932,44.32390806,55.48437864,6.16493096,27.74218932,1.22E-15,1.36E-16,-30.90501477,2000019.329,222224.3699,13.05780066,96,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,2,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8,0,0,0,0,0,0,0,0,0,0,0,4.527422052,0,9.972577948,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.263711026,0,1.3671875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.263711026,0,1.46,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.5,1.611111111,0.2,2.263711026,0.2,1.3671875,6.762628897,0.1328125,0.263711026,1.054844104,0.1328125,0.263711026,1.054844104,4.5,0.5,0,0,0.42414,0.7,0.42414,0.42414,0.7,0,0,0,0,0.71429,0,0,0.22222,0,0,4,0.44444,4,0.44444,0,0,-4,-0.44444,0,0,9.36685,1.04076,9.36685,0,0,4.41421,0.49047,4.41421,0,0,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,8,0,0,0,0,0,0,1,0.893571102,1.130738017,1.946864292,2.393017428,2.298021307,1.847533791,25.91356195,32.79140251,56.45906447,69.3975054,66.6426179,53.57847995,0.183938781,0.232758839,0.400755848,0.492595058,0.473040407,0.380308979,3.964409893,3.727242978,2.911116703,2.464963567,2.559959688,3.010447204,0.185875833,0.235210014,0.404976192,0.497782557,0.478021978,0.384313998,6.65913786,9.50514085,12.617757,13.39138731,12.25143386,9.337363029,35.68332321,31.37575067,29.42559996,28.44353,30.82320953,34.81706615,9,8,8,9,0,9,2.45,1.3767,0.125,4.141993258,0,0,9.333258269,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,4.265,7,6,5,4,3,2,1,0,0,45,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0.75,8,1,1,4,8,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0,0,0,0.0625,0.031746032,0.020833333,0.016,0.013888889,0.013605442,0.015625,0,0,0,0.174198696,27.74218932,44.32390806,55.48437864,6.16493096,27.74218932,1.22E-15,1.36E-16,-30.90501477,2000019.329,222224.3699,13.05780066,0,164.2203203,4.169925001,3.433987204,4.043051268,4.672828834,5.303304908,5.942799375,6.580639137,7.22329568,7.863651265,8.507344855,70.57090253,2.833213344,0,3.80666249,0,4.919980926,0,6.098074282,0,7.311218384,7.671360923,128.1565006,4.419189677,16.82976754,1.869974171,0,0,0,120,6,5.461,30,1.230142857,2.123025702,2.85044307,3.586273228,4.92143394,5.930312687,7.243690354,8.32876297,9.598318,10.61025677,72.40063676,63.44328061,61.45016569,79.26257743,94.97999307,106.2640635,110.0179204,98.29450566,47.76925588,10.78069993,275.5059647,306.4296225,310.4934706,410.2212839,511.6182424,598.1591076,665.0444461,682.9442252,585.0889714,329.8065097,8.939719117,15.07209163,19.87386409,25.10506814,34.28716667,41.29469907,50.25486319,57.59289976,65.85418381,71.28462811,2.098837641,2.610672149,2.788157222,3.670064105,4.686779984,5.550987443,6.352340677,6.801559625,6.560435092,4.717457082,176.9060838,330.5470861,471.8361821,585.5537829,816.0901388,984.6131038,1216.540833,1412.500259,1665.914213,1962.023769,2.372410714,3.356207511,3.982305923,5.188946192,6.918659146,8.394854931,10.12401952,11.76250454,13.02602229,10.61025677,0.435567857,0.553117619,0.597652596,0.785446436,1.007639297,1.195733842,1.37519614,1.482076183,1.454519873,1.086490293,464.6293798,235.1389676,11.51931986,161.8976577,-81.93293353,-9.695387667,302.7317221,317.0719011,21.21470753,0.741595098,0.37530538,0.01838599,0.258404902,-0.130773181,-0.015474811,291.1028689,147.3209208,7.217165346,101.4332599,-51.33319812,-6.074422513,0.052163287,0.12876632,0.792769659,8.552601257,626.5270375,0,1,0,496.6525532,22.28570289,7.919253116,690.3932748,26.27533586,8.838234442,775.1207465,27.8409904,9.185929763,2.950990616,2.950990616,1410.91692,1384.171775,56.79147305,1.019322128,24.84381623,24.37288031,4.85376418,5.645455692,11.2817115,0.998370391,5.578011069,7.58821859,3.002747035,30.87317242,13.4416726,0.143545735,5.155872505,8.893345643,17.22158112,1.240573876,2.189928568,16.65943622,4.560378906,10.99176726,2.706547915,0.750701801,1.181180802,4.552075903,0.764155249,2.340186684,0.346403458,0.017048723,7.84E-23,6.95E-65,1.19E-128,3.92E-214,2.49E-321,0,0,0,0.468123816,7.587802279,0.207363264,7.135824148,0.098025556,0.001225807,0.768087598,0.336974765,5.243344557,0.045807429,0.019088724,0.965993658,0.150452577,3.146165474,0.114384494,0.060424053,0.090642427,0.085967932,0.764029657,0.172567609,0.002439756,1.20E-04,5.52E-25,4.89E-67,8.37E-131,2.76E-216,2.0E-323,0,0,0,1.511160743,7.587830886,0.698806144,8.858824137,0.995161738,0.010936123,1.663643633,1.357549158,6.829620469,0.186291015,0.167505479,3.352940202,0.63872754,4.502180979,0.4435461,0.190130176,0.292259254,0.472594864,0.764050114,0.572770255,0.025424075,0.00125128,5.75E-24,5.10E-66,8.72E-130,2.88E-215,1.8E-322,0,0,0,5.265187433,7.588173161,2.803613389,28.31542306,11.97859823,0.127991084,4.887225596,8.112708975,16.18448916,1.130853858,1.95277694,15.40987268,4.144695101,10.42463692,2.477120351,0.704483326,1.106994919,4.09293604,0.764145728,2.192538313,0.30863925,0.015190105,6.98E-23,6.19E-65,1.06E-128,3.49E-214,2.223E-321,0,0,0,2.227172895,7.587867261,1.059668898,10.96868478,2.153368991,0.023344461,2.278439838,2.27369502,8.173526104,0.313428328,0.356890846,5.233916069,1.096210183,5.505919056,0.728875768,0.282493177,0.436893857,0.893885773,0.764065695,0.860043096,0.055224468,0.002717947,1.25E-23,1.11E-65,1.89E-129,6.25E-215,3.95E-322,0,0,0,6.73625619,7.588409435,3.771843755,41.59751867,19.59247393,0.208906104,6.150584995,12.07529369,21.40639984,1.688348462,3.18636731,21.61394351,6.264913144,13.19018254,3.636331666,0.926324482,1.464287024,6.462944278,0.764192582,2.9038348,0.505196862,0.02486396,1.14E-22,1.01E-64,1.73E-128,5.72E-214,3.636E-321,0,0,0,3.545784444,7.125566531,1.673584315,15.99155907,5.187280016,0.05566224,3.261672406,4.113584786,10.93005539,0.570819377,0.849840687,9.170217632,2.053403915,7.883755802,1.281548497,0.42035821,0.852218354,1.901520514,1.177462688,1.683734844,0.13345393,0.006568117,3.02E-23,2.68E-65,4.58E-129,1.51E-214,9.6E-322,0,0,0,11.95121345,0.782414741,0.514017941,0.902138639,0.059060661,0.559248207,0.606865929,0.620672986,13.24764613,15.89611893,33.9502469,0.853207958,1.786787122,10.68317698,0.326195035,0.117151798,0.960154057,0.029316886,0.446870248,0.105480797,0.032240681,11.12652381,4.77456702,16.30934134,0.940231086,0.584591725,11.20377764,0.513499016,0.280087786,0.933853239,0.042800985,0.491484194,0.261395399,0.18428697,11.99736444,9.034994879,22.64374043,0.900779858,0.937166564,11.92147891,0.771716716,0.504711715,0.903285544,0.058472658,0.556468857,0.590383923,0.59840203,13.19790734,15.60640908,33.44766649,0.854928316,1.745254809,11.42845257,0.594333546,0.350405854,0.923646267,0.048033971,0.511393796,0.350170209,0.288435687,12.37319197,11.00516738,25.7584255,0.8854694,1.149999692,12.04379152,0.815722883,0.542992739,0.89862228,0.060863454,0.56794601,0.659635466,0.692618891,13.40250714,16.80701929,35.54410232,0.847933419,1.920200367,11.96614747,0.773267104,0.506198676,0.903404565,0.058379109,0.560646733,0.592758481,0.601933201,13.24561325,15.70170299,33.63118687,0.855106847,1.755338415 +UMLYSI0200,L,cycloheptane,C1CCCCCC1,cyclic alkanes,C7H14,291-64-5,9265,PubChem,,50,0,-2.016,4.064256,20.3812,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1179.348079,1355.959759,1377.297103,367.448256,28.449792,0,0,0,3399.790734,4570.930941,6394.829782,7047.588415,4082.970102,870.3448441,0,0,0,146.842108,152.43046,299.106556,440.1943,387.410688,188.116992,0,0,0,25.74688067,35.11192034,53.81383101,63.15070202,43.62840202,12.44916134,0,0,0,3476.407621,3031.276161,6469.415393,10352.68609,9465.125593,5177.694257,0,0,0,29.75,36.75,64.75,85.75,70,28,0,0,0,48.76541633,56.15943233,32.28475617,21.86185878,6.561576,1.016064,0,0,0,161.8947969,217.6633782,152.2578519,111.8664828,72.9101804,31.08374443,0,0,0,6.992481333,7.258593333,7.121584667,6.987211111,6.918048,6.718464,0,0,0,1.226041937,1.671996207,1.281281691,1.002392095,0.779078607,0.444612905,0,0,0,165.54322,144.3464838,154.0336998,164.3283506,169.0200999,184.917652,0,0,0,1.416666667,1.75,1.541666667,1.361111111,1.25,1,0,0,0,0.029269484,2.17E-18,-0.014634742,2.17E-19,-0.019512989,0.019512989,0,0,0,564.9747087,5.90E-13,-282.4873543,-1.60E-13,-376.6498058,376.6498058,0,0,0,1050.594596,0,-525.297298,1.42E-13,-700.3963974,700.3963974,0,0,0,0.110674667,1.58E-15,-0.055337333,1.30E-17,-0.073783111,0.073783111,0,0,0,4.696646663,7.55E-15,-2.348323331,2.08E-15,-3.131097775,3.131097775,0,0,0,25.51225921,2.26E-14,-12.75612961,6.44E-15,-17.00817281,17.00817281,0,0,0,1.166666667,-4.02E-16,-0.583333333,-3.75E-16,-0.777777778,0.777777778,0,0,0,0.001393785,1.03E-19,-3.48E-04,3.44E-21,-3.48E-04,6.97E-04,0,0,0,26.90355756,2.81E-14,-6.725889389,-2.54E-15,-6.725889389,13.45177878,0,0,0,50.0283141,0,-12.50707852,2.26E-15,-12.50707852,25.01415705,0,0,0,0.005270222,7.53E-17,-0.001317556,2.07E-19,-0.001317556,0.002635111,0,0,0,0.223649841,3.60E-16,-0.05591246,3.30E-17,-0.05591246,0.111824921,0,0,0,1.214869486,1.08E-15,-0.303717372,1.02E-16,-0.303717372,0.607434743,0,0,0,0.055555556,-1.92E-17,-0.013888889,-5.95E-18,-0.013888889,0.027777778,0,0,0,7.41E-17,-0.25,2.47E-18,-0.25,0.5,0,0,0,1.04E-15,-0.25,-9.43E-17,-0.25,0.5,0,0,0,0,-0.25,4.51E-17,-0.25,0.5,0,0,0,1.43E-14,-0.25,3.92E-17,-0.25,0.5,0,0,0,1.61E-15,-0.25,1.48E-16,-0.25,0.5,0,0,0,8.88E-16,-0.25,8.41E-17,-0.25,0.5,0,0,0,-3.45E-16,-0.25,-1.07E-16,-0.25,0.5,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,1.428571429,1.428571429,0.952380952,1.071428571,0,0,0,0,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,24,12,17.04891734,24,3.428571429,12.00002171,3.55E-15,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,0,11.9,12.10010405,-0.152797442,0.047306612,6.8165,7.016604054,7,21,21,21,7,0,0,0,0,0,15.304898,3.573186822,2.945817421,2.945817421,1.753131121,1.753131121,1.122946561,1.122946561,0.083923071,1.840961226,1.840961226,1.114249919,1.114249919,0.614914746,0.614914746,0.489263751,0.083923071,3.600648477,2.984115995,2.984115995,1.834262961,1.834262961,1.247019953,1.247019953,0.270913902,1.778043787,1.778043787,1.008390927,1.008390927,0.466222489,0.466222489,0.329734575,0.270913902,3.72034929,3.152527083,3.152527083,2.176961494,2.176961494,1.732917972,1.732917972,0.943918427,1.590937281,1.590937281,0.678084935,0.678084935,0.038370948,0.038370948,0.223569137,0.943918427,3.620820476,3.012359315,3.012359315,1.893471859,1.893471859,1.335136272,1.335136272,0.399277246,1.737796762,1.737796762,0.939236481,0.939236481,0.366102466,0.366102466,0.22154323,0.399277246,3.778078745,3.233982116,3.233982116,2.332680125,2.332680125,1.937675008,1.937675008,1.207644823,1.531967921,1.531967921,0.57007717,0.57007717,0.22064231,0.22064231,0.429566078,1.207644823,3.666666667,3.076806853,3.076806853,2.026128512,2.026128512,1.525851121,1.525851121,0.666666667,1.661122191,1.661122191,0.804503713,0.804503713,0.163160582,0.163160582,1.78E-15,0.666666667,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.949747468,3.5,2.474873734,1.75,1.237436867,0.875,0.618718434,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0.088388348,0,4.949747468,3.5,2.474873734,1.75,1.237436867,0.875,0.618718434,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0.088388348,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.7307,32.319,30,36.69202147,60,8.571428571,30,1.00E-16,1.43E-17,-25.78731353,175.0832053,25.01188648,3.615682924,42,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,0,0,10.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.5,1.5,0.2,1.5,0.2,1.5,5.061,0,0,0,0,0,0,3.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0,0,0,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.41667,0.91667,6.41667,0,0,3.5,0.5,3.5,0,0,-0.086,-0.01229,0,0,0.333333333,7,0,0,0,0,0,0,1,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,19.28421252,19.28421252,19.28421252,19.28421252,19.28421252,19.28421252,0.209068641,0.209068641,0.209068641,0.209068641,0.209068641,0.209068641,3.474021589,3.474021589,3.474021589,3.474021589,3.474021589,3.474021589,0.209068641,0.209068641,0.209068641,0.209068641,0.209068641,0.209068641,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,27.64912502,27.64912502,27.64912502,27.64912502,27.64912502,27.64912502,5.142857143,3.06122449,1.959183673,0,0,0,2.23,0.9863,0,0,0,0,11.55674537,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.071,0.064,0.277,0.248,3.623,7,7,7,7,7,0,0,0,0,49,2.079441542,2.079441542,2.079441542,2.079441542,2.079441542,2.079441542,0,0,0,0,3.912023005,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,17.04891734,24,3.428571429,12.00002171,2.69E-16,3.84E-17,-25.09624587,2000014.35,285716.3358,10.15606544,0,117.2718924,3.807354922,3.36729583,4.043051268,4.727387819,5.416100402,6.107022888,6.799055862,7.491645474,8.184513753,8.877521454,69.01359475,2.708050201,0,3.761200116,0,4.94875989,2.708050201,6.196444128,4.844187086,7.475905969,7.862497197,98.10955045,4.671883355,13.890625,1.984375,0,0,0,42,7,3.983,28,1.237139684,2.1277256,2.805837885,3.415636646,3.983938154,0,0,0,0,0,80.41435058,74.91635217,63.82139281,22.77902886,4.047936137,0,0,0,0,0,294.8345942,341.4884864,323.4814951,251.8032662,123.8357154,0,0,0,0,0,9.014891653,15.19149396,19.63689512,23.64274917,26.76594507,0,0,0,0,0,2.207144943,2.832423094,2.878826781,2.683188449,1.771310316,0,0,0,0,0,176.3978478,324.9720625,458.6340643,576.2589537,736.7004893,0,0,0,0,0,2.227064289,3.338157183,3.861948153,4.286093848,3.983938154,0,0,0,0,0,0.456596072,0.597124747,0.615691475,0.589311014,0.407955267,0,0,0,0,0,264.8230398,97.8738538,6.990989557,19.84409907,-7.334023703,-1.047717672,244.9789408,105.2078775,8.038707229,0.930290166,0.343818588,0.024558471,0.069709834,-0.025763507,-0.003680501,75.38641706,27.86146993,1.990104995,5.648962907,-2.087755544,-0.298250792,0.071428571,0.142857143,1.831389567,0.426803127,284.6671389,0,1,0,458.574433,21.4143511,7.711460042,594.1929381,24.37607307,8.407028029,757.7517979,27.52729187,9.116797851,1.048628695,1.03460627,244.5795166,163.9902344,135.0089725,1.491427325,1.81157972,1.214661747,3.353752729,3.525316625,5.262672839,0.492822744,4.42617716,5.257378854,8.450149804,13.39485808,9.935328749,13.88482253,5.936232225,3.884511853,3.851198768,0.003579908,2.45E-24,3.24E-67,8.25E-132,4.06E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331360145,5.186369363,0.678511001,3.615835624,1.517439649,0.561151528,0.365130626,0.02793616,0.027124308,2.52E-05,1.73E-26,2.28E-69,5.81E-134,2.86E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.096092781,5.19111491,2.209641811,4.739362343,2.373321918,2.140878135,1.266360698,0.286584195,0.2826562,2.63E-04,1.80E-25,2.38E-68,6.06E-133,2.98E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.150340161,5.249582829,7.954838391,12.48750335,9.114907176,12.66589146,5.511701894,3.46142758,3.431348767,0.003189634,2.18E-24,2.89E-67,7.35E-132,3.61E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.642170847,5.19726726,3.277112959,5.769715351,3.21691922,3.563776384,1.955085488,0.621078749,0.613967038,5.71E-04,3.91E-25,5.16E-68,1.32E-132,6.47E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.476039294,5.290159963,10.30624811,17.10487855,13.31938102,18.85585328,7.60285256,5.663312717,5.616611461,0.00522096,3.58E-24,4.72E-67,1.20E-131,5.92E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.83488047,5.217650114,5.543592927,8.593299137,5.643567533,7.412564045,3.572888111,1.728118186,1.711643897,0.00159107,1.09E-24,1.44E-67,3.67E-132,1.80E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.9039582,1.595267167,0.755762437,0.447465019,0.374916978,0.471037561,0.48157632,0.485494334,4.254987804,5.681905094,12.23238678,0.233572995,1.438108215,1.394088407,1.098686704,0.277259512,0.503274723,0.396632842,0.252442913,0.228292772,0.065242853,2.770034622,2.222812007,5.417515707,0.349861347,0.545978538,1.596585012,1.295914909,0.467309904,0.475201007,0.385710792,0.331152031,0.317685732,0.185454931,3.359809826,3.420732184,7.74742411,0.291367699,0.834292693,1.891334561,1.582973479,0.743916507,0.448372186,0.375270084,0.464807718,0.474175608,0.470377615,4.218224547,5.578527552,12.02398787,0.235463404,1.409360941,1.686849169,1.383826508,0.552021233,0.465633535,0.381987934,0.369678196,0.362287165,0.258854555,3.622696909,4.029384767,8.94066848,0.271432204,0.990819916,1.943479664,1.633755348,0.792848734,0.444723666,0.373849895,0.49081026,0.505117223,0.534369761,4.370083746,6.011376545,12.89889004,0.227860341,1.530297243,1.894671976,1.586223667,0.747048318,0.448130816,0.375176133,0.466450714,0.476126614,0.474350857,4.227943961,5.605770765,12.07887397,0.234960423,1.416928185 +UMLYSI0201,L,"2,4-dimethylpentane",CC(C)CC(C)C,linear alkanes,C7H16,108-08-7,7907,PubChem,,49.6,0,1.2082,1.45974724,33.401,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1289.413615,1004.9545,814.460644,302.76288,36.578304,0,0,3461.958223,4376.887272,5892.91255,6092.452474,4866.454479,3126.683726,1119.0148,0,0,160.279036,159.125208,296.711548,379.656976,432.938128,251.444736,241.864704,0,0,26.63610648,34.55010896,49.80024258,56.12991302,48.09066387,32.0604183,16.00606457,0,0,3846.242925,3210.7269,6660.186019,8672.026479,10908.59722,5893.952969,6657.035473,0,0,37.80555556,44.33333333,67.11111111,87.33333333,83,60,36,0,0,44.61329874,48.14991518,30.70032417,18.61026852,12.92794673,8.41008,1.016064,0,0,150.5199227,198.9494215,140.3074417,112.823194,77.2453092,86.85232572,31.08374443,0,0,6.968653739,7.232964,7.064560667,7.030684741,6.872033778,6.984576,6.718464,0,0,1.158091586,1.570459498,1.185720062,1.039442834,0.763343871,0.890567175,0.444612905,0,0,167.2279533,145.9421318,158.5758576,160.5930829,173.1523369,163.7209158,184.917652,0,0,1.643719807,2.015151515,1.597883598,1.617283951,1.317460317,1.666666667,1,0,0,0.031809221,-0.006716478,0.001197502,-0.024035702,0.020938684,-0.026591974,0.019303359,0,0,589.5388264,-58.58770946,-8.010038403,-457.7164802,306.4411835,-480.6023042,403.7059355,0,0,1096.272622,-108.9463475,-14.89500845,-851.14334,569.8404662,-893.700507,750.7084259,0,0,0.115486609,-0.01147693,-0.001569112,-0.089663516,0.060029724,-0.094146692,0.079083221,0,0,4.900848691,-0.487040864,-0.066587618,-3.805006748,2.547452018,-3.995257085,3.356015952,0,0,26.62148787,-2.645613702,-0.361704998,-20.66885705,13.83779979,-21.7022999,18.22993191,0,0,3.311594203,-1.865679479,1.513127494,-3.130119723,3.584908633,-3.574669187,1.816635161,0,0,0.00138301,-3.05E-04,2.85E-05,-4.45E-04,3.32E-04,-7.39E-04,5.36E-04,0,0,25.63212289,-2.663077703,-0.1907152,-8.476231114,4.864145769,-13.350064,11.21405376,0,0,47.66402704,-4.952106706,-0.354643058,-15.7619137,9.045086764,-24.82501408,20.85301183,0,0,0.005021157,-5.22E-04,-3.74E-05,-0.001660435,9.53E-04,-0.002615186,0.002196756,0,0,0.213080378,-0.022138221,-0.001585419,-0.070463088,0.040435746,-0.110979363,0.093222665,0,0,1.157455995,-0.120255168,-0.008612024,-0.382756612,0.219647616,-0.602841664,0.506386998,0,0,0.143982357,-0.084803613,0.036026845,-0.05796518,0.056903312,-0.099296366,0.050462088,0,0,-0.220746452,0.020615871,-0.321838399,0.240316525,-0.534100375,0.387708371,0,0,-0.103896104,-0.007440476,-0.330687831,0.189767574,-0.520833333,0.4375,0,0,-0.103896104,-0.007440476,-0.330687831,0.189767574,-0.520833333,0.4375,0,0,-0.103896104,-0.007440476,-0.330687831,0.189767574,-0.520833333,0.4375,0,0,-0.103896104,-0.007440476,-0.330687831,0.189767574,-0.520833333,0.4375,0,0,-0.103896104,-0.007440476,-0.330687831,0.189767574,-0.520833333,0.4375,0,0,-0.588986142,0.250217082,-0.402585299,0.395210309,-0.689642597,0.350474106,0,0,1.758171921,1.032756391,1.446890374,0.503049927,1.697783992,0,0,0,1.642857143,1.183248299,1.42228836,0.573696145,1.505952381,0,0,0,1.642857143,1.183248299,1.42228836,0.573696145,1.505952381,0,0,0,1.642857143,1.183248299,1.42228836,0.573696145,1.505952381,0,0,0,1.642857143,1.183248299,1.42228836,0.573696145,1.505952381,0,0,0,1.642857143,1.183248299,1.42228836,0.573696145,1.505952381,0,0,0,2.197665937,0.575579174,1.537806954,0.281198986,2.214442013,0,0,0,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,28.35194213,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,-7.11E-15,0,0,0,2000010.529,285715.7898,10.1560641,37.48986374,18.62390012,29.28763257,37.31696124,5.330994463,18.62390014,-0.242063492,1.67E-16,2.38E-17,-25.43193482,2000010.202,285715.7432,10.15606399,0,11.89,12.11009426,-0.164615304,0.056093615,5.749051432,7.648782394,6,22,22,22,6,0,0,0,0,0,17.491312,3.526648257,3.112599877,2.333552793,2.333552793,2.181727047,1.162837791,0.902587011,0.083923071,1.926688276,1.667247237,1.249629723,1.249629723,1.084438741,0.440344289,0.348066086,0.083923071,3.553367324,3.150713835,2.405454588,2.405454588,2.250821456,1.269690916,1.031979376,0.270913902,1.867720858,1.58857667,1.134540686,1.134540686,0.969245257,0.290000277,0.186460336,0.270913902,3.67134812,3.318028628,2.704236987,2.704236987,2.542033557,1.702702127,1.537209272,0.943918427,1.694987868,1.351217995,0.76031856,0.76031856,0.597291919,0.218324093,0.373444117,0.943918427,3.573079272,3.178805544,2.457539916,2.457539916,2.301138919,1.346550641,1.123795185,0.399277246,1.83022888,1.537907807,1.058262671,1.058262671,0.893065587,0.188893887,0.076887173,0.399277246,3.729063388,3.398793114,2.838982085,2.838982085,2.67505104,1.891182114,1.749263129,1.207644823,1.641383456,1.275766962,0.631337262,0.631337262,0.470453387,0.40108138,0.581393754,1.207644823,3.544875463,3.234857964,2.61879123,2.61879123,2.361003522,1.396934638,1.208461479,0.575342466,1.845944923,1.466086296,0.892763832,0.892763832,0.800329812,0.097213156,0.038783586,0.575342466,0,0,0,0,0,4,1,2,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.816496581,0,0,0,0.471404521,0.942809042,0.23570226,0.471404521,0.942809042,0.23570226,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.6885,34.293,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,38,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,4,0,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,9.055555556,0,1.361111111,0,0,0,1.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.263888889,0,1.361111111,0,0,0,0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.263888889,0,1.361111111,0,0,0,0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.16666667,1.738095238,0.2,2.263888889,0.2,0.875,5.311805556,0.458333333,0.263888889,2.111111111,0.458333333,0.263888889,2.111111111,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.57143,0.28571,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.47656,1.06808,7.47656,0,0,3.12588,0.44655,3.12588,0,0,0.28812,0.04116,0.28812,0.04116,0,6,0,0,0,0,0,0,1,0.886540893,1.306170652,2.044451086,2.044451086,1.847774479,1.234981096,20.39044053,30.04192499,47.02237498,47.02237498,42.49881302,28.4045652,0.195982923,0.288748262,0.451956026,0.451956026,0.408477765,0.273010762,3.637021063,3.217391304,2.47911087,2.47911087,2.675787477,3.28858086,0.19880132,0.292900702,0.45845553,0.45845553,0.414352016,0.276936884,6.634953582,11.67051069,12.41456819,12.41456819,10.05444891,6.068894352,27.76507516,21.21742031,22.49198364,22.49198364,21.311924,17.02237031,7,3.06122449,6,7,0,5,2.23,1.0949,1.889881575,2,4.618802154,0,0,2,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,2.811,7,4,4,0,0,0,0,0,0,28,1.945910149,2.079441542,1.609437912,1.609437912,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,2.5,0.444444444,0.5,0,0,0,0,0,0,0,0.416666667,0.063492063,0.125,0,0,0,0,0,0,0,0.60515873,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,0,129.6283511,3.807354922,3.295836866,3.891820298,4.65396035,5.262690189,6.033086222,6.64509097,7.417580402,8.030409562,8.803424212,67.03389907,2.564949357,0,3.713572067,0,4.976733742,0,6.300785795,0,7.655864018,7.958576904,100.1252005,4.353269587,12.50916243,1.787023205,0,0,0,48,4,4.201,26,1.224818182,2.110657079,2.894964612,3.459229516,4.302684992,4.961617097,0,0,0,0,69.72220731,74.05869283,59.19211135,52.69936513,38.59170013,5.041320514,0,0,0,0,268.787596,322.8305105,342.2742041,291.6801335,391.8435021,154.2256378,0,0,0,0,8.893455721,14.97231911,20.39096586,23.83418797,30.13901462,33.33444585,0,0,0,0,2.059771149,2.666275448,3.106136598,2.795064771,3.976929202,2.20599899,0,0,0,0,176.6115071,330.2656746,462.1949756,594.3973487,697.5427907,917.4905839,0,0,0,0,2.51619697,3.51717407,4.759650394,4.723785449,7.388053557,4.961617097,0,0,0,0,0.427911136,0.562382111,0.66508454,0.606794077,0.865141658,0.508069591,0,0,0,0,372.2477062,145.3219568,8.886691416,126.2977843,-49.3054513,-7.265832583,245.949922,194.6274081,16.152524,0.746667482,0.291491869,0.017825237,0.253332518,-0.098898601,-0.014574061,185.5824153,72.44960624,4.430419931,62.9651908,-24.5810104,-3.622348069,0.075294283,0.160214534,0.926109052,9.165087944,498.5454905,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,621.903098,24.93798504,8.53573467,1.404310375,1.404310375,364.3162779,345.2860334,119.0552266,1.055114434,3.060061184,2.900217346,3.933228778,3.22022378,6.424248771,0.99496967,4.462408855,5.691203506,2.797575608,18.20912219,5.988481935,11.66874289,6.912930956,12.27598257,4.238511116,6.905147207,1.605945921,1.126710556,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690852012,0.161793675,7.555440401,1.037894845,1.451060902,0.365282501,0.592520706,1.057460219,0.085778441,0.011311877,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.69087613,0.570383221,9.236120945,1.385042008,2.796094472,1.12223083,2.120727855,1.432429087,0.602231232,0.117870089,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691165138,2.590426972,17.38216366,5.450731076,10.78121932,6.307057247,11.25767979,3.946713009,6.177938327,1.430869639,1.00387882,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690906828,0.889297504,10.5365233,1.82031689,3.939321228,1.813937363,3.424147263,1.77129408,1.216721603,0.256026956,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691364698,3.61654255,21.46939034,8.245992229,15.25232951,9.389006307,16.39038951,5.429108477,9.949351807,2.342117712,1.643201455,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.738867285,4.604911638,1.19467072,12.63472009,2.562279929,6.564074637,2.716960672,5.292805327,2.758877206,2.445667946,0.531603137,0.372962548,2.66E-15,3.65E-51,9.67E-109,4.94E-188,4.87E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.656836928,1.197544226,0.973051922,0.627521051,0.205501155,0.559765397,0.460760999,0.513176981,5.827433076,9.102788859,19.19143421,0.441281576,1.533703376,2.948910444,0.689539164,0.49941062,0.712665552,0.166641483,0.363378354,0.152760287,0.135108822,4.137860228,3.850469617,9.003826027,0.568998328,0.651247463,3.242065491,0.899954401,0.69565988,0.670169512,0.186030172,0.439538892,0.260215762,0.26227935,4.837679771,5.799148164,12.66656249,0.505254268,0.962034003,3.640472539,1.185805491,0.962113216,0.628926481,0.20485925,0.554744762,0.4517722,0.5017084,5.788391246,8.960318203,18.90204861,0.443389722,1.508225362,3.367495969,0.989961812,0.779577431,0.655532974,0.192710731,0.474353962,0.314868687,0.329401207,5.137035212,6.730668153,14.46657473,0.483299461,1.118623856,3.707715601,1.234040061,1.007058827,0.623269663,0.207443023,0.57552068,0.489272838,0.549655412,5.948814489,9.552108247,20.10868977,0.434904494,1.61444893,3.651244979,1.188645525,0.964571619,0.629041055,0.204781339,0.558076426,0.453938803,0.504266288,5.804462123,9.008457023,18.9991947,0.443561583,1.516281517 +UMLYSI0202,L,"2,3-dimethylpentane",CCC(C)C(C)C,linear alkanes,C7H16,565-59-3,11260,PubChem,,49.4,0,0.4696,0.22052416,31.6134,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1289.413615,1247.086518,705.420914,187.959744,18.289152,0,0,3461.958223,4376.887272,5892.91255,6542.707301,5420.034116,2682.356663,559.5073998,0,0,160.279036,159.125208,296.711548,379.704408,437.680712,367.587072,120.932352,0,0,26.63610648,34.55010896,49.80024258,58.14276159,54.10499216,32.03627372,8.003032287,0,0,3846.242925,3210.7269,6660.186019,8682.960304,10516.12215,9604.011958,3328.517736,0,0,37.80555556,44.44444444,66,87.33333333,96,66,18,0,0,44.61329874,48.14991518,30.70032417,23.09419478,11.19715737,3.480736,1.016064,0,0,150.5199227,198.9494215,140.3074417,121.1612463,86.03228755,49.67327153,31.08374443,0,0,6.968653739,7.232964,7.064560667,7.031563111,6.947312889,6.807168,6.718464,0,0,1.158091586,1.570459498,1.185720062,1.076717807,0.858809399,0.593264328,0.444612905,0,0,167.2279533,145.9421318,158.5758576,160.7955612,166.9225738,177.8520733,184.917652,0,0,1.643719807,2.02020202,1.571428571,1.617283951,1.523809524,1.222222222,1,0,0,0.031819436,-0.007326065,-7.18E-04,-0.005132311,-0.0185107,0.006219816,0.009557796,0,0,589.5388264,-58.58770946,-8.010038403,-215.5844622,-377.8449544,163.4047834,201.8529677,0,0,1096.272622,-108.9463475,-14.89500845,-400.8885132,-702.6188272,303.8581724,375.354213,0,0,0.115486609,-0.01147693,-0.001569112,-0.042231516,-0.074017233,0.032009875,0.039541611,0,0,4.900848691,-0.487040864,-0.066587618,-1.792158178,-3.14103307,1.358387409,1.678007976,0,0,26.62148787,-2.645613702,-0.361704998,-9.735031668,-17.06214149,7.378781965,9.114965957,0,0,3.311594203,-1.754568368,0.402016383,0.543793321,-1.784656585,0.029300567,0.90831758,0,0,0.001383454,-3.33E-04,-1.71E-05,-9.50E-05,-2.94E-04,1.15E-04,5.31E-04,0,0,25.63212289,-2.663077703,-0.1907152,-3.992304855,-5.997538958,3.026014508,11.21405376,0,0,47.66402704,-4.952106706,-0.354643058,-7.423861355,-11.1526798,5.627003192,20.85301183,0,0,0.005021157,-5.22E-04,-3.74E-05,-7.82E-04,-0.001174877,5.93E-04,0.002196756,0,0,0.213080378,-0.022138221,-0.001585419,-0.033188114,-0.049857668,0.025155322,0.093222665,0,0,1.157455995,-0.120255168,-0.008612024,-0.180278364,-0.270827643,0.13664411,0.506386998,0,0,0.143982357,-0.079753108,0.009571819,0.010070247,-0.028327882,5.43E-04,0.050462088,0,0,-0.240704067,-0.012361315,-0.068699657,-0.212381971,0.083256697,0.38381382,0,0,-0.103896104,-0.007440476,-0.155753968,-0.233985261,0.118055556,0.4375,0,0,-0.103896104,-0.007440476,-0.155753968,-0.233985261,0.118055556,0.4375,0,0,-0.103896104,-0.007440476,-0.155753968,-0.233985261,0.118055556,0.4375,0,0,-0.103896104,-0.007440476,-0.155753968,-0.233985261,0.118055556,0.4375,0,0,-0.103896104,-0.007440476,-0.155753968,-0.233985261,0.118055556,0.4375,0,0,-0.553908892,0.066479108,0.069940838,-0.196745511,0.003768539,0.350474106,0,0,1.779126246,1.045180029,1.15074343,1.215252463,0.578893642,1.97E-05,0,0,1.642857143,1.183248299,1.254960317,1.14739229,0.501984127,0,0,0,1.642857143,1.183248299,1.254960317,1.14739229,0.501984127,0,0,0,1.642857143,1.183248299,1.254960317,1.14739229,0.501984127,0,0,0,1.642857143,1.183248299,1.254960317,1.14739229,0.501984127,0,0,0,1.642857143,1.183248299,1.254960317,1.14739229,0.501984127,0,0,0,2.164113786,0.75132854,0.953440311,1.309332778,0.738147338,0,0,0,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,27.26924405,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36.66771569,18.2128261,27.50219345,36.49481319,5.213544742,18.21282612,-0.242063492,0.031648572,0.004521225,-2.417143579,25.31665866,3.616665523,2.262023837,0,11.89,12.11009426,-0.163409124,0.057468363,5.441367979,8.270756013,6,22,22,22,6,0,0,0,0,0,17.491312,3.547091456,3.006727816,2.625332469,2.333552793,1.853163973,1.373147991,0.818880303,0.083923071,1.933625663,1.614659685,1.400273545,1.249629723,0.899030164,0.579772508,0.29344402,0.083923071,3.572575547,3.049614047,2.683051633,2.405454588,1.937022925,1.473944507,0.950986794,0.270913902,1.876026464,1.530418028,1.298376168,1.134540686,0.770731171,0.437160388,0.128999822,0.270913902,3.685697279,3.235898148,2.928576466,2.704236987,2.28293488,1.882095956,1.467025567,0.943918427,1.708478401,1.272462707,0.975707696,0.76031856,0.347249146,0.043413613,0.441766602,0.943918427,3.591408314,3.081117918,2.725184981,2.457539916,1.997659662,1.546401872,1.044765816,0.399277246,1.839505092,1.475848305,1.231499507,1.058262671,0.685210023,0.341388863,0.0174233,0.399277246,3.741381865,3.32465606,3.042370063,2.838982085,2.437090457,2.059937866,1.683446735,1.207644823,1.656875508,1.189153554,0.867806618,0.631337262,0.199017248,0.215751764,0.654087056,1.207644823,3.556661354,3.149113765,2.852668766,2.61879123,2.081679667,1.600884837,1.130589446,0.575342466,1.861756535,1.392574014,1.093101619,0.892763832,0.572621593,0.250751474,0.100577264,0.575342466,0,0,0,0,0,4,1,2,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.569035594,0,0.23570226,0,1.276142375,0.707106781,0.23570226,1.276142375,0.707106781,0.23570226,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.6885,34.293,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,4,0,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,9.081018519,0,1.31712963,0,0,0,1.768518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.240740741,0,1.31712963,0,0,0,0.865740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.296296296,0,1.31712963,0,0,0,0.902777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.16666667,1.738095238,0.2,2.296296296,0.2,0.865740741,5.309476852,0.467592593,0.296296296,2.162037037,0.467592593,0.296296296,2.162037037,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.57143,0.28571,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.55695,1.07956,7.55695,0,0,3.18073,0.45439,3.18073,0,0,0.23327,0.03332,0.23327,0.03332,0,6,0,0,0,0,0,0,1,0.886540893,1.306170652,2.272499456,2.782731521,2.782982088,2.278459357,20.39044053,30.04192499,52.26748748,64.00282497,64.00858803,52.4045652,0.195982923,0.288748262,0.502369477,0.615163791,0.615219182,0.503687001,3.637021063,3.217391304,2.2510625,1.740830436,1.740579868,2.2451026,0.19880132,0.292900702,0.509593968,0.624010358,0.624066546,0.510930439,6.634953582,11.67051069,15.15114862,15.66537327,14.82033975,7.826158094,27.76507516,21.21742031,18.72159455,18.5427486,15.32960231,11.000393,7,3.06122449,2.666666667,7,0,5,2.23,1.0949,1.944161297,1.941967087,4.930998067,0,0,1.414213562,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,2.811,7,6,2,0,0,0,0,0,0,28,1.945910149,2.079441542,1.945910149,1.098612289,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,2,1.111111111,0.25,0,0,0,0,0,0,0,0.333333333,0.158730159,0.041666667,0,0,0,0,0,0,0,0.533730159,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,0,129.6283511,3.807354922,3.295836866,3.970291914,4.691347882,5.398162702,6.120297419,6.834108739,7.556427969,8.272059622,8.994296558,68.13282967,2.564949357,0,3.713572067,0,5.056245805,0,6.463029457,0,7.890956716,8.168486417,100.1252005,4.353269587,12.50524286,1.786463266,0,0,0,46,6,4.201,26,1.224818182,2.110657079,2.894505449,3.511633513,4.185783688,5.352201744,0,0,0,0,69.72220731,74.05869283,74.56712261,45.48046627,16.59196324,5.438179512,0,0,0,0,268.787596,322.8305105,372.2390591,323.9122253,223.1749698,166.3664711,0,0,0,0,8.893455721,14.97231911,20.39963401,24.46277228,28.56611771,35.95857474,0,0,0,0,2.059771149,2.666275448,3.246447642,3.161677674,2.605250183,2.379657965,0,0,0,0,176.6115071,330.2656746,462.0932757,581.1491615,738.6527364,989.7165796,0,0,0,0,2.523888889,3.443557609,4.803360557,5.514555883,5.298299459,5.352201744,0,0,0,0,0.427911136,0.562382111,0.691176692,0.685527963,0.58170642,0.548065459,0,0,0,0,362.7794696,141.3189035,8.686955574,130.4490063,-50.81574917,-7.82937436,232.3304633,192.1346527,16.51632993,0.735520124,0.286518136,0.017612437,0.264479876,-0.103026795,-0.015873727,178.9331648,69.70250739,4.284653857,64.34116453,-25.06377451,-3.861670382,0.076653362,0.166681099,1.217533687,9.498315139,493.2284758,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,629.2361872,25.08458067,8.569152997,1.356712851,1.205835205,381.1611578,287.3251537,129.8528154,1.326584717,2.935332259,2.212698684,3.89945406,3.220218461,6.42424645,0.994972244,4.462408855,5.691170425,2.670859423,23.44903725,6.568018348,4.460822489,7.840284493,15.46295756,5.403743144,5.57390701,0.884220332,1.126710553,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851779,0.160901199,7.713112089,1.533703778,0.102791063,0.6539462,0.741540241,1.016461953,0.07636488,0.006228704,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690873702,0.561082962,9.930973606,1.884584279,0.51069496,1.816010774,2.720038211,1.391533131,0.504429319,0.064899514,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691135664,2.477525131,22.13398855,6.020416409,4.023630434,7.292506695,14.1985964,4.951033146,4.991801439,0.787825132,1.003878818,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690901554,0.869096106,11.74865753,2.326388017,0.93372398,2.704239123,4.38299142,1.803544999,1.004375125,0.140967789,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691316452,3.431738913,28.71740714,8.867368033,6.27302031,9.990898028,20.55662075,7.288983235,8.007985494,1.289548769,1.643201451,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.738867285,4.639785482,1.180010206,14.29610882,3.50990534,1.78101957,4.220876504,7.072385979,2.932730792,2.004840631,0.292698288,0.372962547,2.66E-15,3.65E-51,9.67E-109,4.94E-188,4.87E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.409035317,1.704461349,0.582939676,0.598450525,0.299215377,0.518520097,0.512568309,0.476247191,5.696436342,8.791429024,17.87507654,0.397675787,1.507335596,2.689902903,1.117151704,0.179997962,0.674659503,0.280194877,0.322129938,0.218919599,0.045698738,3.987052569,3.690291683,8.218243458,0.511989254,0.586748274,2.987733602,1.360420251,0.346923927,0.636354442,0.289754572,0.397779233,0.325459557,0.16928563,4.695077779,5.573051905,11.67822741,0.454531663,0.89252442,3.39241501,1.690890645,0.573631075,0.599691171,0.298905702,0.513451681,0.504376318,0.461220994,5.656936731,8.652144896,17.59954581,0.399536756,1.479048993,3.115148846,1.464478904,0.418315533,0.623286154,0.293016311,0.432596856,0.377539683,0.245848303,4.997943284,6.477799193,13.38412713,0.434929231,1.055984842,3.460708812,1.746652595,0.611879594,0.594701063,0.300151273,0.534438361,0.538463761,0.5244895,5.819241002,9.230934212,18.74877689,0.392051595,1.597391623,3.402482445,1.696238688,0.573949136,0.599802612,0.29901944,0.516598301,0.507803524,0.461558273,5.672670269,8.697828948,17.68300209,0.399703918,1.485960099 +UMLYSI0203,L,2-methylheptane,CCCCCC(C)C,linear alkanes,C8H18,592-27-8,11594,PubChem,,49.4,0,0.0158,2.50E-04,33.3531,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1362.056143,1135.165085,881.006788,675.105483,478.348754,160.526016,18.289152,3947.642614,5029.877407,6581.332248,6597.333588,5368.371711,4081.819666,3075.021321,1843.095563,559.5073998,181.25648,180.900988,339.41734,440.146868,435.333136,311.98206,249.09716,186.188544,120.932352,30.31423229,39.56609758,56.48150844,61.13785345,52.1042523,39.0812073,30.05967844,20.03172529,8.003032287,4342.872585,3643.766351,7578.921305,10341.75226,10717.8266,7574.612576,6095.657421,4611.235353,3328.517736,40.77777778,48.41666667,75.16666667,92.91666667,83.66666667,62.33333333,51,39,18,45.09238923,49.11105724,28.37616965,18.01849341,13.98423473,15.00234407,13.28746539,5.945408,1.016064,151.8324082,201.1950963,137.1110885,104.7195808,85.21224938,90.70710369,85.41725893,68.26279863,31.08374443,6.971403077,7.23603952,7.071194583,6.986458222,6.910049778,6.932934667,6.919365556,6.895872,6.718464,1.165932011,1.582643903,1.176698093,0.970442118,0.827051624,0.868471273,0.834991068,0.741915752,0.444612905,167.033561,145.7506541,157.8941939,164.1547978,170.1242317,168.3247239,169.3238172,170.7864946,184.917652,1.568376068,1.936666667,1.565972222,1.474867725,1.328042328,1.385185185,1.416666667,1.444444444,1,0.036661319,-0.005562139,-0.008748152,-0.011740312,0.00490429,3.17E-04,0.001313716,-0.008367403,0.009552158,670.5194345,-58.02572029,-166.9134917,-237.1174496,88.82949773,-15.04370526,-15.76007218,-137.5424481,206.3136721,1246.859521,-107.9013047,-310.3827653,-440.9300228,165.1822442,-27.97441232,-29.30652719,-255.7660555,383.6490833,0.131350154,-0.01136684,-0.032697207,-0.04644968,0.017401089,-0.002946959,-0.00308729,-0.026943621,0.040415432,5.574042193,-0.482369036,-1.387555375,-1.971162357,0.738441487,-0.125058639,-0.131013812,-1.14339327,1.715089906,30.27828566,-2.620236259,-7.537222819,-10.70738521,4.011225878,-0.679320512,-0.711669107,-6.210930392,9.316395587,3.017094017,-1.240795529,0.263313609,-1.176035503,0.420118343,-0.055226824,0.848126233,-1.325443787,0.75739645,0.001410051,-2.22E-04,-1.82E-04,-1.86E-04,7.78E-05,7.05E-06,3.65E-05,-3.10E-04,5.31E-04,25.78920902,-2.321028812,-3.47736441,-3.763769041,1.409992027,-0.334304561,-0.437779783,-5.094164744,11.46187067,47.95613541,-4.316052187,-6.46630761,-6.99888925,2.621940384,-0.621653607,-0.8140702,-9.472816871,21.31383796,0.005051929,-4.55E-04,-6.81E-04,-7.37E-04,2.76E-04,-6.55E-05,-8.58E-05,-9.98E-04,0.002245302,0.214386238,-0.019294761,-0.028907404,-0.031288291,0.011721293,-0.002779081,-0.003639273,-0.042347899,0.095282773,1.164549448,-0.10480945,-0.157025475,-0.169958495,0.063670252,-0.015096011,-0.019768586,-0.230034459,0.517577533,0.116042078,-0.049631821,0.0054857,-0.01866723,0.006668545,-0.001227263,0.023559062,-0.049090511,0.042077581,-0.157785505,-0.12925291,-0.132161309,0.055207857,0.004998746,0.025879997,-0.219782033,0.376352011,-0.09,-0.134837963,-0.145943563,0.054673721,-0.012962963,-0.016975309,-0.197530864,0.444444444,-0.09,-0.134837963,-0.145943563,0.054673721,-0.012962963,-0.016975309,-0.197530864,0.444444444,-0.09,-0.134837963,-0.145943563,0.054673721,-0.012962963,-0.016975309,-0.197530864,0.444444444,-0.09,-0.134837963,-0.145943563,0.054673721,-0.012962963,-0.016975309,-0.197530864,0.444444444,-0.09,-0.134837963,-0.145943563,0.054673721,-0.012962963,-0.016975309,-0.197530864,0.444444444,-0.427705382,0.047273371,-0.160866046,0.057466613,-0.010576015,0.203021719,-0.423040604,0.362606232,1.692219763,1.235860156,1.141057762,0.775491998,0.892984997,0.873979217,1.147505828,1.94E-05,1.625,1.316550926,1.14638448,0.78813933,0.902777778,0.877700617,1.00308642,0,1.625,1.316550926,1.14638448,0.78813933,0.902777778,0.877700617,1.00308642,0,1.625,1.316550926,1.14638448,0.78813933,0.902777778,0.877700617,1.00308642,0,1.625,1.316550926,1.14638448,0.78813933,0.902777778,0.877700617,1.00308642,0,1.625,1.316550926,1.14638448,0.78813933,0.902777778,0.877700617,1.00308642,0,2.03470255,0.834366147,1.150849858,0.690509915,0.889990557,0.78641407,1.841359773,0,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,40.95843393,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,7.11E-15,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,49.17971066,24.49263311,39.41169489,49.03387732,6.129234666,24.49263311,-0.194444444,0.05549221,0.006936526,-2.313210101,31.51694111,3.939617639,2.760420171,0,11.89,12.11011416,-0.164721685,0.05599046,5.126994156,7.569956516,7,25,25,25,7,0,0,0,0,0,19.677726,3.512791118,3.238919284,2.754377525,2.333552793,2.16106297,1.602622042,1.212098241,0.967458465,1.92602284,1.749460495,1.439016878,1.249629723,1.066801236,0.747854632,0.554062797,0.378649273,3.540819883,3.274033784,2.803505181,2.405454588,2.230004045,1.69577801,1.328517454,1.093122251,1.865897482,1.676662806,1.346012258,1.134540686,0.950804492,0.609697056,0.400399929,0.219909271,3.663808076,3.427740613,3.01583014,2.704236987,2.521456068,2.07820745,1.79101269,1.584733213,1.688302405,1.458206375,1.05722802,0.76031856,0.576892714,0.14884779,0.126014232,0.328103809,3.56145617,3.299879996,2.839550007,2.457539916,2.28026614,1.763065027,1.411651868,1.182331103,1.827544674,1.629899281,1.28542041,1.058262671,0.874135771,0.51723375,0.296605772,0.112419936,3.723525777,3.501894309,3.116132114,2.838982085,2.65496015,2.247244052,1.988445773,1.791731238,1.632689995,1.38894938,0.962758478,0.631337262,0.449701075,0.014206762,0.318616961,0.530855554,3.554485372,3.348832867,2.922379464,2.657839583,2.364393205,1.850220107,1.518359463,1.288785188,1.821844405,1.566416066,1.177546527,0.857839583,0.755760656,0.393212957,0.157480166,0.024805111,0,0,0,0,0,3,4,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.144337567,0.288675135,0.204124145,0.144337567,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,6.825046296,0,5.604074074,0,0,0,0.904212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.250324074,0,1.353888889,0,0,0,0.904212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.287361111,0,1.424768519,0,0,0,0.904212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.666666667,0.2,2.287361111,0.2,0.904212963,6.033874213,0.42912037,0.287361111,1.650092593,0.42912037,0.287361111,1.650092593,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.375,0.125,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.40872,1.05109,8.40872,0,0,3.77005,0.47126,3.77005,0,0,0.14395,0.01799,0.14395,0.01799,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.52623491,3.093730583,2.430457026,2.008000925,23.15278265,34.39789514,65.68210766,80.43699516,63.19188266,52.20802404,0.189448582,0.281462171,0.537446507,0.658178972,0.517070141,0.427194272,3.809948078,3.377443751,2.174204808,1.606709135,2.269982693,2.692438793,0.191756937,0.284891675,0.543995078,0.66619862,0.523370433,0.432399463,6.648700044,11.83875197,16.75276226,14.99529819,11.79017873,12.55213632,31.72521615,24.13720728,20.30507436,22.09939553,27.99758443,21.09608714,8,5.142857143,7.2,8,0,7,2.34,1.2358,0.721124785,4.146039495,1.754410643,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.538,7,5,4,3,2,0,0,0,0,36,2.079441542,2.079441542,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,7,1,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,0,146.9243357,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,114.1408506,4.390032714,14.66595917,1.833244896,0,0,0,79,5,4.831,28,1.2278,2.11761443,2.869523731,3.522731356,4.659330025,5.700733816,6.739604562,7.6460672,0,0,71.2221278,68.08752346,60.48242812,62.56281571,83.66926384,88.14618725,43.01500053,7.768893624,0,0,272.5498825,313.605011,324.113785,344.3741487,468.6446156,530.0032674,482.2788943,237.6683987,0,0,8.919363223,15.02844115,20.09547913,24.46743974,32.43406668,39.5739121,46.58145234,51.36982723,0,0,2.081648384,2.634998592,2.924434097,3.20212955,4.347684954,5.046203377,5.177858357,3.399540149,0,0,176.77647,330.4239685,467.7042365,589.9301237,774.4454149,955.5778309,1142.590018,1413.892794,0,0,2.435676667,3.425910754,4.328745309,4.89759239,6.7048841,8.386110038,10.0005416,7.6460672,0,0,0.4321989,0.557170835,0.626552001,0.690477082,0.936577657,1.091762356,1.138840444,0.782957281,0,0,417.6863934,187.2240734,10.19522471,149.9471702,-67.21243603,-9.084440154,267.7392232,254.4365095,19.27966486,0.735838083,0.329832634,0.017960926,0.264161917,-0.118408143,-0.016004057,237.0928159,106.274668,5.787151733,85.11504654,-38.15203458,-5.156633137,0.065561676,0.145381405,0.980442389,9.464141681,567.6335635,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,697.4366738,26.40902637,8.868188725,1.99023833,1.896459864,800.2727231,752.9108926,87.83305507,1.062904961,9.111293266,8.57206768,4.546451998,4.466158665,8.836778877,0.978608361,5.020209962,6.639711035,2.900174803,24.54112878,9.321022415,3.228366089,5.252105494,11.52747078,9.750016298,3.548427425,3.887846315,7.457765018,5.146040259,3.800250312,2.755731928,0.260945109,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.421311435,6.639327146,0.184578564,7.345631963,0.565195848,0.090461646,0.56117669,0.516345165,3.206018704,0.146233275,0.034217053,0.802523222,0.253539163,0.955317836,0.114730901,0.001837924,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.360044669,6.639353507,0.634595672,9.047470715,1.161208758,0.410839064,1.335524754,1.923838833,4.192263275,0.571701187,0.301586084,1.593596027,0.935963547,1.26829292,0.447155927,0.019152065,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,4.738668689,6.639669138,2.697032192,22.84877673,8.363576457,2.923012395,4.900130534,10.55617383,9.225747141,3.24498692,3.468240385,6.849607169,4.734649826,3.531369355,2.520942422,0.23249744,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,2.004455605,6.639387042,0.97448535,10.75260052,1.924056145,0.725823057,1.921477541,3.139485701,4.973070418,0.943640996,0.639299307,2.30511668,1.498324515,1.562636949,0.736716796,0.041600681,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,6.062630571,6.639887047,3.694212814,31.53342808,13.34450521,4.487544146,6.628885491,15.46119872,11.83154466,4.779978768,5.650023847,9.937412178,6.79625955,4.903338635,3.708061929,0.380563701,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,3.145998243,5.8332612,1.431573317,14.39668315,3.73465636,1.472361706,2.797687357,5.267984438,6.514947328,1.66349802,1.419777717,4.255029879,2.550496848,2.648035925,1.438420738,0.09394055,0.05015848,5.68E-20,1.24E-59,5.23E-121,4.25E-204,0.00E+00,0,0,0,0,0,0,0,0,7.376093849,1.09401537,0.5837864,0.814687308,0.120833663,0.561019305,0.465215223,0.432107025,9.053895618,13.0142946,26.77908962,0.722030962,1.458341553,6.419161133,0.592226988,0.177884176,0.892880512,0.082376486,0.424747633,0.135713272,0.03998713,7.189272297,5.048815464,12.91433233,0.839320769,0.600448036,6.813526748,0.799063019,0.345205182,0.856207881,0.100412617,0.478606175,0.247560753,0.150836568,7.957794949,8.072342687,17.90958559,0.784311821,0.877003496,7.35379518,1.082326376,0.574331796,0.81614042,0.12011897,0.557627678,0.455285324,0.418201121,9.010453352,12.80433933,26.38601804,0.724210629,1.431114123,6.983080047,0.887971448,0.417123854,0.842535269,0.107137145,0.502753589,0.30595946,0.220359998,8.288175349,9.483979035,20.35864584,0.763802903,1.029073046,7.445477347,1.130385219,0.613203848,0.810253949,0.123014153,0.571638541,0.496801164,0.476831743,9.189066414,13.67500947,28.0249574,0.715380923,1.545271447,7.379196446,1.085871882,0.575267527,0.816252467,0.120114109,0.56149835,0.458341568,0.419362733,9.040335854,12.88254085,26.53241597,0.724378701,1.439202651 +UMLYSI0204,L,2-methyl-1-hexene,CCCCC(=C)C,alkenes,C7H14,2/6/6094,22468,PubChem,,49.1,0,0.6916,0.47831056,31.0165,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1117.887126,893.95858,652.923435,450.070322,143.338608,15.24096,0,3399.790734,4147.41404,5146.671182,4997.655438,3914.513922,2721.213111,1572.940224,466.2561665,0,146.842108,144.889944,254.780376,302.16136,311.183724,207.98804,145.478592,100.77696,0,25.74688067,32.32302034,43.45041525,45.21878842,37.74334449,26.0541382,16.69511646,6.669193573,0,3476.407621,2904.481805,5672.393611,6924.088246,7638.202784,5049.741717,3533.524545,2773.76478,0,40.52777778,45.33333333,63.41666667,75.33333333,66.16666667,48.5,35,15,0,48.76541633,51.7541979,31.05242017,20.78973442,14.50940967,15.00234407,6.825648,1.016064,0,161.8947969,207.370702,142.9630884,116.2245451,86.98919828,90.70710369,74.90191545,31.08374443,0,6.992481333,7.2444972,7.077232667,7.027008372,6.915193867,6.932934667,6.927552,6.718464,0,1.226041937,1.616151017,1.206955979,1.051599731,0.838740989,0.868471273,0.795005546,0.444612905,0,165.54322,145.2240902,157.5664892,161.025308,169.7378397,168.3247239,168.2630736,184.917652,0,1.92989418,2.266666667,1.761574074,1.751937984,1.47037037,1.616666667,1.666666667,1,0,0.043380486,-0.004342931,-0.010589637,-0.02082192,0.013109579,2.31E-04,-0.012314967,0.013038351,0,564.9747087,-53.80711511,-80.71067267,-269.0355756,80.71067267,-2.17E-13,-161.4213453,201.7766817,0,1050.594596,-100.0566282,-150.0849423,-500.283141,150.0849423,1.42E-13,-300.1698846,375.2123557,0,0.110674667,-0.010540444,-0.015810667,-0.052702222,0.015810667,-4.52E-16,-0.031621333,0.039526667,0,4.696646663,-0.447299682,-0.670949523,-2.236498411,0.670949523,-2.58E-15,-1.341899046,1.677373808,0,25.51225921,-2.429738973,-3.644608459,-12.14869486,3.644608459,-4.22E-15,-7.289216918,9.111521147,0,5.383597884,-1.402368355,0.982615268,-2.768266566,0.467687075,1.035336357,-2.30026455,1.293461829,0,0.002065737,-2.17E-04,-2.94E-04,-4.84E-04,2.91E-04,7.71E-06,-5.86E-04,8.69E-04,0,26.90355756,-2.690355756,-2.24196313,-6.256641292,1.793570504,-7.22E-15,-7.68673073,13.45177878,0,50.0283141,-5.00283141,-4.169026175,-11.63449165,3.33522094,4.74E-15,-14.29380403,25.01415705,0,0.005270222,-5.27E-04,-4.39E-04,-0.001225633,3.51E-04,-1.51E-17,-0.001505778,0.002635111,0,0.223649841,-0.022364984,-0.018637487,-0.052011591,0.014909989,-8.60E-17,-0.063899955,0.111824921,0,1.214869486,-0.121486949,-0.101239124,-0.282527788,0.080991299,-1.41E-16,-0.347105568,0.607434743,0,0.256361804,-0.070118418,0.027294869,-0.064378292,0.010393046,0.034511212,-0.109536407,0.086230789,0,-0.105118169,-0.142397854,-0.234410572,0.141026628,0.003732012,-0.283882634,0.420781162,0,-0.1,-0.083333333,-0.23255814,0.066666667,-2.69E-16,-0.285714286,0.5,0,-0.1,-0.083333333,-0.23255814,0.066666667,9.47E-17,-0.285714286,0.5,0,-0.1,-0.083333333,-0.23255814,0.066666667,-2.86E-15,-0.285714286,0.5,0,-0.1,-0.083333333,-0.23255814,0.066666667,-3.85E-16,-0.285714286,0.5,0,-0.1,-0.083333333,-0.23255814,0.066666667,-1.16E-16,-0.285714286,0.5,0,-0.273513514,0.106470106,-0.251122793,0.040540541,0.134619165,-0.427272727,0.336363636,0,1.41821491,1.179729366,1.179146148,0.716520779,0.941988158,1.268344768,0.088256024,0,1.5,1.19047619,1.245847176,0.761904762,0.857142857,1.12244898,0,0,1.5,1.19047619,1.245847176,0.761904762,0.857142857,1.12244898,0,0,1.5,1.19047619,1.245847176,0.761904762,0.857142857,1.12244898,0,0,1.5,1.19047619,1.245847176,0.761904762,0.857142857,1.12244898,0,0,1.5,1.19047619,1.245847176,0.761904762,0.857142857,1.12244898,0,0,1.640786241,0.600532351,1.411119365,0.722358722,0.841031941,1.769041769,0,0,29.0322193,14.51610965,23.28706805,29.0322193,4.1474599,14.51611113,-1.78E-15,0.130230827,0.018604404,-1.426912769,23.80541052,3.400772932,2.218939021,29.0322193,14.51610965,23.28706805,29.0322193,4.1474599,14.51611113,-1.78E-15,0.130230827,0.018604404,-1.426912769,23.80541052,3.400772932,2.218939021,29.0322193,14.51610965,23.28706805,29.0322193,4.1474599,14.51611113,-1.78E-15,0.130230827,0.018604404,-1.426912769,23.80541052,3.400772932,2.218939021,29.0322193,14.51610965,23.28706805,29.0322193,4.1474599,14.51611113,-1.78E-15,0.130230827,0.018604404,-1.426912769,23.80541052,3.400772932,2.218939021,29.0322193,14.51610965,23.28706805,29.0322193,4.1474599,14.51611113,-1.78E-15,0.130230827,0.018604404,-1.426912769,23.80541052,3.400772932,2.218939021,29.0322193,14.51610965,23.28706805,29.0322193,4.1474599,14.51611113,-1.78E-15,0.130230827,0.018604404,-1.426912769,23.80541052,3.400772932,2.218939021,39.96439291,19.78299011,32.67192553,39.67981241,5.66854463,19.78299011,-0.398412698,0.172733698,0.024676243,-1.229202931,21.81427286,3.116324694,2.157795132,0,11.89,12.11009426,-0.173302362,0.049665741,5.149588588,7.53557178,6,20,19,19,5,1,1,0,0,1,15.304898,3.527651715,3.160096539,2.526209549,2.223306854,1.790620404,1.247882563,0.424404909,0.083923071,1.894507479,1.666989278,1.30096929,1.108237756,0.850586657,0.575343649,0.083923071,0.083923071,3.550768366,3.194777382,2.582661661,2.291963745,1.874478283,1.362711948,0.536926724,0.270913902,1.837947883,1.594321329,1.197702114,0.996156127,0.719729217,0.422948026,0.270913902,0.270913902,3.655391577,3.34687131,2.825635698,2.579080168,2.223370313,1.819538192,0.963715902,0.943918427,1.676838473,1.377077027,0.87272197,0.633235659,0.288618046,0.098398575,0.943918427,0.943918427,3.567961224,3.220319149,2.6240445,2.341817624,1.935321748,1.444751355,0.616167386,0.399277246,1.802368147,1.547715939,1.130052228,0.92198642,0.632535392,0.320061387,0.399277246,0.399277246,3.708023142,3.420429104,2.939518756,2.709310837,2.379895731,2.014857828,1.207644823,1.207644823,1.628433413,1.308440853,0.765114478,0.508794749,0.138379652,0.288840133,1.134156552,1.207644823,3.62179896,3.230156134,2.639898553,2.556858088,1.956261107,1.476857074,0.659651977,0.53164557,1.840573605,1.492665681,1.084582076,0.732607858,0.547237887,0.25394137,0.53164557,0.53164557,0,0,1,0,1,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.25,0,0,0,0.288675135,0.204124145,0.204124145,0.176776695,0.125,0.125,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,5.328427125,2.914213562,2.060660172,0.957106781,0.478553391,0.301776695,0,0,0.761203875,0.48570226,0.343443362,0.239276695,0.159517797,0.150888348,0,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,2,1,3,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.099907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.361875,0,0,0,0.97625,0.580555556,0,0.361875,0,0,0,0,0,0,0,0,4.276388889,3.792638889,3.79037037,0,0,0,0,0,0,1.307268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.307268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.361875,0,0,0,0.216944444,0.290277778,0,0.361875,0,0,0,0,0,0,0,0,2.079027778,3.792638889,1.204861111,0,0,0,0,0,0,1.307268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.792638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.361875,0,0,0,0.290277778,0.290277778,0,0.361875,0,0,0,0,0,0,0,0,2.197361111,3.792638889,1.300925926,0,0,0,0,0,0,1.307268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.16666667,1.880952381,0.361875,3.792638889,0.071597222,1.204861111,4.696092824,0.359398148,0.792638889,2.138055556,0.359398148,0.792638889,2.138055556,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.42857,0.14286,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.75577,0.82225,7.02591,1.27014,0.18145,2.72875,0.38982,3.27005,0.5413,0.07733,0.14395,0.02056,0.14395,0.02056,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.153291232,3.368042423,3.463280518,3.558518613,3.140202668,19.28421252,45.21911587,70.72889087,72.72889087,74.72889087,65.94425603,0.209068641,0.49024035,0.766803056,0.788485937,0.810168818,0.714930722,3.474021589,2.239026191,1.024275,0.929036905,0.83379881,1.252114755,0.209068641,0.49024035,0.766803056,0.788485937,0.810168818,0.714930722,6.73287657,17.21697421,19.48810467,18.5372142,19.68007134,14.66028,27.64912502,16.33397711,14.3059685,15.14260039,13.77556186,11.26566619,7,4.166666667,6,7,2,6,2.23,1.0519,0.814325285,3.639717277,1.889881575,0,2.381101578,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.104,0.088,0.143,0.175,3.137,6,4,3,2,0,0,0,0,0,28,2.079441542,2.197224577,1.791759469,1.609437912,1.386294361,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,0,126.9918924,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,98.10955045,4.671883355,12.67036528,1.810052182,0,0,0,52,4,3.45,24,1.2229,2.118990253,2.921200347,3.583132494,4.631510173,5.724076397,6.446029286,0,0,0,73.6156376,74.85494167,69.15483024,64.19080284,81.55321812,41.04226786,6.5495783,0,0,0,277.7186352,328.6771511,362.5315093,350.5542731,463.0924858,443.6159053,200.3667269,0,0,0,8.892335553,15.05442701,20.575256,24.88230111,32.24168017,39.72480008,43.3074157,0,0,0,2.107286619,2.714253312,3.209232546,3.254721809,4.310593495,4.669593597,2.865987805,0,0,0,175.5375183,329.7297233,467.0004986,600.4581515,769.6192753,957.498226,1191.9846,0,0,0,2.84095,3.898519662,5.236386978,5.470822395,7.853261168,9.663703028,6.446029286,0,0,0,0.4370085,0.572331015,0.684793985,0.701714724,0.928999095,1.023177262,0.660073399,0,0,0,368.0887611,156.8909707,10.52337661,163.312847,-69.60905577,-10.61951977,204.7759141,226.5000265,21.14289639,0.692675286,0.295239925,0.019803058,0.307324714,-0.130991429,-0.019983981,195.6029596,83.37211415,5.592139255,86.78470955,-36.99036418,-5.643229886,0.125358261,0.233934812,2.986716478,4.899718279,531.4016082,0,1,0,395.3145785,19.88251942,7.339181199,531.3577082,23.05119754,8.099576812,612.4650146,24.74803052,8.492334564,1.797741956,1.797741956,514.0937425,458.6729374,72.15020129,1.120828592,7.125326517,6.357195534,4.058772905,4.462585949,7.652389268,0.714788097,4.067936095,4.914041019,5.068419723,15.29788286,4.218150879,4.148088568,3.628330405,10.51231436,7.464314149,1.540912493,2.42846316,1.033338574,3.850075463,1.432305862,1.13E-05,1.26E-31,2.70E-79,1.12E-148,8.90E-240,0,0,0,0,0,0,0,0,0,0,0,0.341404395,4.913792843,0.214993315,5.659297533,0.04309978,0.18823946,0.464064611,0.41178263,2.617126358,0.053964939,0.051315719,0.058804505,0.213495371,0.010087847,7.96E-08,8.85E-34,1.90E-81,7.86E-151,6.27E-242,0,0,0,0,0,0,0,0,0,0,0,1.102068962,4.91380993,0.832639481,6.522072995,0.343444484,0.712862358,1.025546253,1.637862843,3.046590055,0.22385775,0.26607409,0.144738154,0.761417388,0.105123147,8.30E-07,9.23E-33,1.98E-80,8.19E-150,6.53E-241,0,0,0,0,0,0,0,0,0,0,0,3.839800494,4.914013949,4.639326663,14.31702158,3.767323127,3.805317553,3.404753987,9.598340465,6.969480788,1.402610571,2.187253243,0.933706344,3.558680897,1.276158737,1.01E-05,1.12E-31,2.40E-79,9.94E-149,7.93E-240,0,0,0,0,0,0,0,0,0,0,0,1.62424134,4.913831627,1.367397995,7.442339293,0.713483998,1.157226054,1.436049607,2.727651338,3.507664365,0.380159833,0.493806557,0.237277841,1.195264569,0.228341522,1.80E-06,2.00E-32,4.30E-80,1.78E-149,1.42E-240,0,0,0,0,0,0,0,0,0,0,0,4.912619538,4.91415473,6.806999954,19.37328788,6.1090368,5.531157392,4.490039689,14.23201008,9.521377945,2.106656131,3.430195383,1.44761703,5.007056715,2.08888349,1.65E-05,1.83E-31,3.93E-79,1.63E-148,1.30E-239,0,0,0,0,0,0,0,0,0,0,0,2.266920431,3.757149747,1.846486224,8.66052552,1.257936613,1.663275555,1.674339541,3.953586551,4.469001435,0.537360689,0.81283429,0.371979623,1.77342913,0.404836972,3.20E-06,3.55E-32,7.62E-80,3.15E-149,2.52E-240,0,0,0,0,0,0,0,0,0,0,0,5.641508259,1.181860504,0.3952263,0.781524412,0.16372445,0.556261604,0.459353875,0.476172797,7.218595063,9.364250586,19.21800744,0.672286617,1.491788276,4.608146127,0.650520212,0.085204558,0.862323626,0.121732022,0.373695177,0.144098673,0.022130874,5.343870896,3.445754534,9.045042467,0.793485439,0.539924724,5.017567064,0.862548289,0.208335131,0.824112322,0.141669591,0.441594982,0.250022815,0.132311602,6.088450484,5.552928488,12.54303131,0.736168483,0.823929399,5.615831169,1.168799971,0.387551035,0.783001747,0.162962951,0.551274901,0.449665249,0.457857898,7.172182175,9.193174127,18.90915732,0.67450262,1.458798048,5.200507423,0.956613335,0.263219495,0.810004956,0.148997296,0.473811332,0.305621921,0.211207342,6.420340253,6.595548966,14.32537324,0.715007434,0.990640595,5.721923477,1.222722442,0.419255505,0.777023367,0.16604275,0.572028076,0.490270017,0.535834232,7.363901425,9.907905282,20.20505416,0.66553505,1.598132325,5.624942044,1.175383994,0.387200299,0.782597765,0.163531087,0.553225108,0.455721533,0.457029546,7.187526337,9.244555122,18.9920434,0.673896647,1.465976187 +UMLYSI0205,L,3-methylheptane,CCCCC(C)CC,linear alkanes,C8H18,589-81-1,11519,PubChem,,48.7,0,-0.3724,0.13868176,33.5193,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1362.056143,1256.231094,947.552932,684.250059,357.282745,93.979872,9.144576,3947.642614,5029.877407,6581.332248,6822.461001,5870.288943,4361.573366,2849.893908,1341.178331,279.7536999,181.25648,180.900988,339.41734,440.170584,437.728144,372.448236,249.073444,183.793536,60.466176,30.31423229,39.56609758,56.48150844,62.14427773,56.11784073,43.08272344,29.05325415,16.01813686,4.001516144,4342.872585,3643.766351,7578.921305,10347.21917,10527.05597,9238.871444,6090.190508,4802.005979,1664.258868,40.77777778,48.5,74.5,91.91666667,89.58333333,72,52,33,9,45.09238923,49.11105724,28.37616965,19.9401761,15.04052273,12.67129739,9.924520694,3.480736,1.016064,151.8324082,201.1950963,137.1110885,108.2930318,93.17918957,80.76987715,79.16371966,49.67327153,31.08374443,6.971403077,7.23603952,7.071194583,6.986834667,6.948065778,6.897189556,6.918706778,6.807168,6.718464,1.165932011,1.582643903,1.176698093,0.986417107,0.890759377,0.797828212,0.807034838,0.593264328,0.444612905,167.033561,145.7506541,157.8941939,164.2415742,167.0961266,171.0902119,169.1719586,177.8520733,184.917652,1.568376068,1.94,1.552083333,1.458994709,1.421957672,1.333333333,1.444444444,1.222222222,1,0.036687857,-0.005850972,-0.010022378,-0.003618442,-0.00622156,0.006410055,-0.006826659,0.00305778,0.004728247,670.5194345,-58.02572029,-166.9134917,-116.0514406,-134.6769804,88.11313081,-136.8260812,85.96403006,103.1568361,1246.859521,-107.9013047,-310.3827653,-215.8026093,-250.437596,163.8501293,-254.4339406,159.8537847,191.8245416,0.131350154,-0.01136684,-0.032697207,-0.02273368,-0.026382296,0.017260757,-0.02680329,0.016839763,0.020207716,5.574042193,-0.482369036,-1.387555375,-0.964738072,-1.119572577,0.732486314,-1.137438097,0.714620794,0.857544953,30.27828566,-2.620236259,-7.537222819,-5.240472518,-6.081536008,3.978877282,-6.178581796,3.881831495,4.658197794,3.017094017,-1.157462196,-0.403353057,0.234220907,-0.893984221,0.990138067,-0.562130178,-0.094674556,0.378698225,0.001411071,-2.34E-04,-2.09E-04,-5.74E-05,-9.88E-05,1.19E-04,-1.90E-04,1.13E-04,5.25E-04,25.78920902,-2.321028812,-3.47736441,-1.842086358,-2.137729848,1.631724645,-3.800724477,3.183852965,11.46187067,47.95613541,-4.316052187,-6.46630761,-3.425438243,-3.975199937,3.034261654,-7.067609462,5.920510544,21.31383796,0.005051929,-4.55E-04,-6.81E-04,-3.61E-04,-4.19E-04,3.20E-04,-7.45E-04,6.24E-04,0.002245302,0.214386238,-0.019294761,-0.028907404,-0.015313303,-0.017770993,0.013564561,-0.031595503,0.026467437,0.095282773,1.164549448,-0.10480945,-0.157025475,-0.083182103,-0.096532318,0.073682913,-0.171627272,0.143771537,0.517577533,0.116042078,-0.046298488,-0.008403189,0.003717792,-0.014190226,0.01833589,-0.015614727,-0.003506465,0.042077581,-0.165858993,-0.147972343,-0.040703534,-0.069985771,0.084123825,-0.134386823,0.08025896,0.372313411,-0.09,-0.134837963,-0.071428571,-0.082892416,0.063271605,-0.147376543,0.12345679,0.444444444,-0.09,-0.134837963,-0.071428571,-0.082892416,0.063271605,-0.147376543,0.12345679,0.444444444,-0.09,-0.134837963,-0.071428571,-0.082892416,0.063271605,-0.147376543,0.12345679,0.444444444,-0.09,-0.134837963,-0.071428571,-0.082892416,0.063271605,-0.147376543,0.12345679,0.444444444,-0.09,-0.134837963,-0.071428571,-0.082892416,0.063271605,-0.147376543,0.12345679,0.444444444,-0.39898017,-0.072415014,0.032038311,-0.122285175,0.158010702,-0.134560907,-0.030217186,0.362606232,1.701005683,1.243712962,1.019979853,1.01173157,0.737966568,1.085044799,0.587666981,1.55E-08,1.625,1.316550926,1.07473545,1.00308642,0.752314815,1.00308642,0.50154321,0,1.625,1.316550926,1.07473545,1.00308642,0.752314815,1.00308642,0.50154321,0,1.625,1.316550926,1.07473545,1.00308642,0.752314815,1.00308642,0.50154321,0,1.625,1.316550926,1.07473545,1.00308642,0.752314815,1.00308642,0.50154321,0,1.625,1.316550926,1.07473545,1.00308642,0.752314815,1.00308642,0.50154321,0,2.007082153,0.949451133,0.843956563,1.096047484,0.639361032,1.323477337,0.920679887,0,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,39.52559662,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,7.11E-15,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,47.96663102,23.88609329,37.51282513,47.82079768,5.97759971,23.88609329,-0.194444444,0.060698617,0.007587327,-2.241467498,35.64509479,4.455636849,2.858889235,0,11.89,12.11011416,-0.169148038,0.051292578,5.166289279,8.113568415,7,25,25,25,7,0,0,0,0,0,19.677726,3.529332072,3.195058212,2.755948403,2.493452742,1.932218273,1.680731392,1.269169757,0.928548971,1.932088946,1.726147067,1.463914318,1.297442762,0.942332832,0.805586637,0.584415686,0.361147009,3.556432943,3.231889696,2.807379492,2.553674276,2.012096203,1.772383688,1.382536173,1.056628289,1.873069446,1.651027204,1.368654208,1.192497264,0.817048643,0.669802562,0.432936305,0.200673912,3.675722176,3.39262472,3.028395679,2.809477666,2.343851464,2.147975038,1.834301705,1.55684911,1.699553822,1.424380432,1.071266037,0.858468533,0.405912101,0.217306605,0.084406134,0.354631252,3.576405821,3.258975059,2.845042021,2.597623259,2.069990728,1.838528324,1.463572979,1.147508447,1.835492375,1.602666577,1.306472481,1.123476362,0.733706474,0.578968445,0.33072767,0.091918289,3.733867456,3.469855466,3.132152305,2.927680647,2.492786237,2.313882392,2.02785299,1.76697975,1.645481618,1.352139987,0.973335194,0.746246752,0.263045205,0.057265899,0.272993978,0.560622017,3.561114388,3.312388402,2.974505452,2.720785426,2.176744083,1.938015646,1.568048103,1.255846921,1.836041573,1.536097577,1.168687512,0.97669752,0.597809945,0.445731481,0.193535411,0.047152599,0,0,0,0,0,3,4,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.49279928,0.348461713,0.288675135,0.49279928,0.348461713,0.288675135,6.405777394,3.808060412,2.655648531,1.747400241,0.756710003,0.49279928,0.144337567,0,0.800722174,0.54400863,0.379378362,0.291233373,0.189177501,0.164266427,0.144337567,0,6.405777394,3.808060412,2.655648531,1.747400241,0.756710003,0.49279928,0.144337567,0,0.800722174,0.54400863,0.379378362,0.291233373,0.189177501,0.164266427,0.144337567,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,63,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,6.845601852,0,5.534074074,0,0,0,0.953657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.252361111,0,1.347222222,0,0,0,0.953657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.329027778,0,1.423611111,0,0,0,0.953657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.666666667,0.2,2.329027778,0.2,0.953657407,6.030028102,0.379675926,0.329027778,1.691203704,0.379675926,0.329027778,1.691203704,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.375,0.125,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.4771,1.05964,8.4771,0,0,3.80805,0.47601,3.80805,0,0,0.10595,0.01324,0.10595,0.01324,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.52623491,3.228721929,2.99894622,2.586397325,23.15278265,34.39789514,65.68210766,83.94677017,77.97260171,67.24633045,0.189448582,0.281462171,0.537446507,0.686897849,0.638013973,0.550245824,3.809948078,3.377443751,2.174204808,1.471717789,1.701493498,2.114042393,0.191756937,0.284891675,0.543995078,0.695267424,0.645787918,0.556950349,6.648700044,11.83875197,16.75276226,16.61519435,14.89977214,13.66146233,31.72521615,24.13720728,20.30507436,19.405554,22.41087485,20.30924766,8,5.142857143,5,8,0,7,2.34,1.2358,0.66943295,4.653771984,1.5,0,3.14734519,2.555772417,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.538,7,6,4,3,1,0,0,0,0,36,2.079441542,2.079441542,1.945910149,1.609437912,1.386294361,0.693147181,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,7,1,0,3,6,1,1.5,0.666666667,0.25,0.16,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.041666667,0.04,0.018518519,0,0,0,0,0,0.409708995,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,0,146.9243357,4,3.36729583,4.007333185,4.691347882,5.361292166,6.052089169,6.72982407,7.422373701,8.102586425,8.795582217,69.52972465,2.708050201,0,3.761200116,0,4.990432587,0,6.289715571,0,7.623153068,7.934871566,114.1408506,4.390032714,14.66013744,1.832517181,0,0,0,76,6,4.831,28,1.2278,2.11761443,2.868995454,3.539523979,4.46758982,5.700746328,6.680694242,8.149714457,0,0,71.2221278,68.08752346,66.16278356,65.99938978,70.3185958,65.85283058,26.04066785,8.28063147,0,0,272.5498825,313.605011,335.0969615,370.6874305,408.7154135,487.6108124,352.8720999,253.3236414,0,0,8.919363223,15.02844115,20.09578731,24.70332923,30.95744607,39.56372487,45.57691037,54.75356319,0,0,2.081648384,2.634998592,2.975411712,3.415836306,3.883087002,4.852306451,4.131505603,3.623468219,0,0,176.77647,330.4239685,467.6398063,583.2325182,753.5137586,955.0537652,1180.185899,1507.026062,0,0,2.440753333,3.386759232,4.287736567,5.216119002,6.242004258,8.505067865,8.416571375,8.149714457,0,0,0.4321989,0.557170835,0.636008304,0.734620575,0.840366416,1.055921242,0.922959784,0.83453076,0,0,411.7576844,184.3877974,10.06620015,164.9796256,-73.87896065,-9.897244497,246.7780589,258.266758,19.96344464,0.713943207,0.31970846,0.0174537,0.286056793,-0.128098112,-0.017160749,237.4760193,106.3433222,5.805553194,95.14990545,-42.60875303,-5.708110167,0.066159019,0.145522232,1.031818969,9.66552143,576.73731,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,711.0423586,26.66537753,8.925485001,2.177133727,2.177133727,737.5840449,692.676222,87.22342175,1.064832344,8.45626129,7.941401611,4.41802835,4.466158665,8.836778877,0.978608361,5.020209962,6.63970304,2.819805568,27.05115841,9.814810798,5.557618818,6.176446412,11.52650365,9.906275282,2.965143202,3.453423711,7.897847759,4.730372909,0.860264837,2.474850258,0.241081057,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.421311435,6.639327089,0.184012514,7.480973735,1.060371448,0.171970881,0.648379071,0.51634133,3.133746187,0.100904141,0.074443128,0.343650662,0.151649858,0.859561027,0.112752628,0.00169802,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.360044669,6.63935292,0.628697017,9.533992743,1.654382069,0.749058106,1.610679945,1.923775497,4.015222215,0.422986663,0.380911383,1.294580719,0.651204137,0.859696011,0.426540802,0.017694156,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,4.738668689,6.639662015,2.625424649,25.16618618,8.856841594,5.043162687,5.779262996,10.55531418,9.314449379,2.696908065,3.11098247,7.226293925,4.296156698,0.86021868,2.270681911,0.214798927,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,2.004455605,6.639385768,0.961672691,11.51984881,2.416365392,1.300273767,2.320586526,3.139340803,4.769067789,0.722048607,0.705088196,2.12285718,1.12331102,0.85979125,0.691937989,0.038433908,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,6.062630571,6.639875388,3.577001848,34.81028503,13.84092147,7.672188774,7.713754367,15.45977856,12.29875627,4.063765066,4.875273201,10.6217168,6.512833422,0.860439222,3.298422411,0.351593848,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,3.145998243,5.861712567,1.424499169,15.26715871,4.439264277,2.615559503,3.508301107,5.447476416,6.181935189,1.340315023,1.469931102,4.13122571,1.983111796,1.238209127,1.337303337,0.086789491,0.05015848,5.68E-20,1.24E-59,5.23E-121,4.25E-204,0.00E+00,0,0,0,0,0,0,0,0,6.859036214,1.063208596,0.59753924,0.805071604,0.124792904,0.524217609,0.435615098,0.455994453,8.51978405,12.02643841,24.90382891,0.707607407,1.41582716,5.883112773,0.580735175,0.185302295,0.884791674,0.087339758,0.385594143,0.129739886,0.043768825,6.649150243,4.614296384,11.89653758,0.827187511,0.559102854,6.285341935,0.779591919,0.355216321,0.847063979,0.10506417,0.440152396,0.233982433,0.160981009,7.420150175,7.409581593,16.57029237,0.770595969,0.835115838,6.836298367,1.05196792,0.587935464,0.80652851,0.12410841,0.520745917,0.426437616,0.441439069,8.476201751,11.82935807,24.53373686,0.709792765,1.388622602,6.458259546,0.865078231,0.428257757,0.833152287,0.111600022,0.464716969,0.288198351,0.234068909,7.751595534,8.723175956,18.86740464,0.74972843,0.986984229,6.929785301,1.098183988,0.627421271,0.800632306,0.126878618,0.535093656,0.464797435,0.502795779,8.655390561,12.64709796,26.07727686,0.700948459,1.50268687,6.859568803,1.054489552,0.58909637,0.806708689,0.124011568,0.524302949,0.428368685,0.442778689,8.503154726,11.89548669,24.65977789,0.710063034,1.395450323 +UMLYSI0206,L,1-heptene,CCCCCC=C,alkenes,C7H14,592-76-7,11610,PubChem,,48.4,0,0.1504,0.02262016,29.2325,21.655102,0,0,21,7,14,0,7,0,0,0,0,0,0,0,0,0,1024.073743,1035.083958,1007.912141,841.551652,646.827051,450.070322,253.313593,67.647888,6.096384,3399.790734,4147.41404,5005.196641,4672.642312,3728.011456,2721.213111,1714.414766,791.2692929,186.5024666,146.842108,144.889944,255.155828,320.320912,270.87294,207.98804,145.10314,82.617408,40.310784,25.74688067,32.32302034,43.11292237,43.20797011,35.07566706,26.0541382,17.03260934,8.680011884,2.667677429,3476.407621,2904.481805,5635.131594,7637.816723,6528.696872,5049.741717,3570.786562,2060.036303,1109.505912,40,44.75,62,69.75,59.5,47.5,35,20,6,48.76541633,51.7541979,27.99755947,18.29460113,16.585309,15.00234407,12.06255205,5.637324,1.016064,161.8947969,207.370702,139.03324,101.5791807,95.59003733,90.70710369,81.63879838,65.93910774,31.08374443,6.992481333,7.2444972,7.087661889,6.963498087,6.94546,6.932934667,6.909673333,6.884784,6.718464,1.226041937,1.616151017,1.197581177,0.939303698,0.899376078,0.868471273,0.811076635,0.723334324,0.444612905,165.54322,145.2240902,156.5314332,166.039494,167.4024839,168.3247239,170.0374553,171.6696919,184.917652,1.904761905,2.2375,1.722222222,1.516304348,1.525641026,1.583333333,1.666666667,1.666666667,1,0.049280704,-0.007614202,-0.022845849,0.001606243,0.001311171,0.001858518,-0.001760597,-0.004526531,0.007330894,564.9747087,-53.80711511,-242.132018,-26.90355756,-2.74E-13,-2.45E-13,-1.88E-13,-40.35533633,80.71067267,1050.594596,-100.0566282,-450.2548269,-50.0283141,1.42E-13,1.42E-13,8.53E-14,-75.04247115,150.0849423,0.110674667,-0.010540444,-0.047432,-0.005270222,-4.45E-16,-4.52E-16,-4.59E-16,-0.007905333,0.015810667,4.696646663,-0.447299682,-2.01284857,-0.223649841,-2.36E-15,-2.58E-15,-2.14E-15,-0.335474762,0.670949523,25.51225921,-2.429738973,-10.93382538,-1.214869486,-2.44E-15,-6.00E-15,-6.00E-15,-1.822304229,3.644608459,5.285714286,-0.617346939,-1.275510204,-0.137755102,-0.102040816,0.020408163,0.285714286,-1.306122449,0.489795918,0.0023467,-3.81E-04,-6.35E-04,3.49E-05,3.36E-05,6.20E-05,-8.38E-05,-3.77E-04,0.001221816,26.90355756,-2.690355756,-6.725889389,-0.584859947,-7.01E-15,-8.17E-15,-8.97E-15,-3.362944694,13.45177878,50.0283141,-5.00283141,-12.50707852,-1.087572046,3.64E-15,4.74E-15,4.06E-15,-6.253539262,25.01415705,0.005270222,-5.27E-04,-0.001317556,-1.15E-04,-1.14E-17,-1.51E-17,-2.18E-17,-6.59E-04,0.002635111,0.223649841,-0.022364984,-0.05591246,-0.004861953,-6.05E-17,-8.60E-17,-1.02E-16,-0.02795623,0.111824921,1.214869486,-0.121486949,-0.303717372,-0.026410206,-6.26E-17,-2.00E-16,-2.85E-16,-0.151858686,0.607434743,0.25170068,-0.030867347,-0.035430839,-0.002994676,-0.002616431,6.80E-04,0.013605442,-0.108843537,0.081632653,-0.162232106,-0.270425217,0.01487976,0.014326402,0.02639903,-0.035725882,-0.160741002,0.520652665,-0.1,-0.25,-0.02173913,-2.61E-16,-3.04E-16,-3.33E-16,-0.125,0.5,-0.1,-0.25,-0.02173913,7.28E-17,9.47E-17,8.12E-17,-0.125,0.5,-0.1,-0.25,-0.02173913,-2.16E-15,-2.86E-15,-4.15E-15,-0.125,0.5,-0.1,-0.25,-0.02173913,-2.70E-16,-3.85E-16,-4.55E-16,-0.125,0.5,-0.1,-0.25,-0.02173913,-5.16E-17,-1.64E-16,-2.35E-16,-0.125,0.5,-0.122635135,-0.140765766,-0.011897767,-0.01039501,0.002702703,0.054054054,-0.432432432,0.324324324,1.459375918,1.231003764,0.783695987,0.823179415,0.89465579,1.13412299,1.381323553,0.185032401,1.5,1.369047619,0.931677019,0.879120879,0.857142857,0.816326531,0.892857143,0,1.5,1.369047619,0.931677019,0.879120879,0.857142857,0.816326531,0.892857143,0,1.5,1.369047619,0.931677019,0.879120879,0.857142857,0.816326531,0.892857143,0,1.5,1.369047619,0.931677019,0.879120879,0.857142857,0.816326531,0.892857143,0,1.5,1.369047619,0.931677019,0.879120879,0.857142857,0.816326531,0.892857143,0,1.466216216,0.880255255,0.750587544,0.836798337,0.993243243,1.216216216,2.207207207,0,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,31.29501807,15.64750904,25.50635079,31.29501807,4.470716867,15.64750953,1.24E-14,0.06471635,0.009245193,-1.916418988,36.55428908,5.222041298,2.519158969,42.78534791,21.17838824,35.24928014,42.47922546,6.06846078,21.17838824,-0.428571429,0.109241607,0.015605944,-1.549935292,26.71333668,3.816190954,2.299614059,0,11.79,12.21004853,-0.306948035,0.113272328,5.083969899,7.097648006,6,20,19,19,5,1,1,0,0,1,15.304898,3.482395983,3.187386785,2.701768563,2.117093876,1.572599551,1.19719882,0.911697442,0.083923071,1.891833234,1.671922331,1.364276662,1.02438691,0.730986775,0.549471752,0.349801862,0.083923071,3.50971322,3.220130596,2.748725212,2.185432383,1.666737283,1.315041477,1.039783756,0.270913902,1.831505689,1.60169185,1.273407245,0.907445372,0.59141731,0.395169899,0.188529248,0.270913902,3.630452655,3.36441836,2.952820655,2.476038034,2.053752126,1.782079744,1.541512282,0.943918427,1.654658222,1.393214783,0.992818311,0.531564342,0.125261353,0.134309087,0.369563056,0.943918427,3.529874442,3.244281326,2.783242904,2.235363736,1.734784458,1.399123447,1.130790711,0.399277246,1.793132834,1.556772728,1.214327728,0.830220437,0.497957939,0.290887368,0.07922127,0.399277246,3.689551591,3.434627323,3.049835198,2.609863663,2.224852491,1.980953912,1.75263536,1.207644823,1.599774711,1.327849611,0.901637584,0.404271541,0.039803444,0.328470623,0.576453602,1.207644823,3.598285894,3.296234897,2.843662279,2.280417167,1.778905648,1.453816466,1.259005162,0.538461538,1.845977493,1.497050444,1.092194267,0.732452928,0.422397407,0.212131938,0.061107734,0.538461538,0,0,1,1,0,1,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,5.112884175,3.023603362,1.78445705,1.011801681,0.538675135,0.24639964,0.102062073,0,0.730412025,0.503933894,0.35689141,0.25295042,0.179558378,0.12319982,0.102062073,0,10.79279463,20.21485798,19.07843137,19.32,12.58988144,161.1977856,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.67889,34.069,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,5,1,0,2,0,0,0,0,0,0,0,0,1,1,4,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.614297052,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384550737,0.327152778,0,0,1.188296485,0.290277778,0,0.711703515,0,0,0,0,0,0,0,0,2.211397392,3.632491497,5.174305556,0,1.981805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.981805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384550737,0.327152778,0,0,0.212046485,0.290277778,0,0.327152778,0,0,0,0,0,0,0,0,2.211397392,3.632491497,1.188333333,0,1.981805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.632491497,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384550737,0.327152778,0,0,0.290277778,0.290277778,0,0.384550737,0,0,0,0,0,0,0,0,2.211397392,3.632491497,1.353194444,0,1.981805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13,1.857142857,0.384550737,3.632491497,0.212046485,1.188333333,5.159376803,0.311666667,0.632491497,1.687777778,0.311666667,0.632491497,1.687777778,3.5,0.5,0,0,0.43333,0.7,0.42174,0.42174,0.7,0.01159,0.01159,0,0,0.71429,0,0,0.28571,0,0,4,0.57143,3,0.42857,1,0.14286,-2,-0.28571,0,0,5.38519,0.76931,6.60412,1.21893,0.17413,2.84933,0.40705,3.41421,0.56488,0.0807,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6,0,0,0,0,0,0,0.714285714,0.918295834,2.127387765,3.236857303,3.463280518,3.232101805,3.249367047,19.28421252,44.67514307,67.97400337,72.72889087,67.8741379,68.23670798,0.209068641,0.484342902,0.736936107,0.788485937,0.735853422,0.739784204,3.474021589,2.264929658,1.155460119,0.929036905,1.160215618,1.142950376,0.209068641,0.484342902,0.736936107,0.788485937,0.735853422,0.739784204,6.73287657,15.74885826,19.35589302,17.09520442,16.86221672,17.06939963,27.64912502,18.81705526,14.58757905,16.88179258,17.49723397,12.78821698,7,6,6,7,2,7,2.23,1.0519,0.166666667,3.838519496,0,0,5.676240019,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,3.16,5,4,3,2,1,0,0,0,0,28,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.666666667,5,0.833333333,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,0,126.9918924,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,98.10955045,4.671883355,12.83378878,1.833398397,0,0,0,56,4,3.957,22,1.2236,2.130702333,2.871729136,3.605464611,4.939731415,5.960982763,7.30073252,8.324651359,0,0,73.7959167,66.79834045,63.74485217,77.2616114,87.6814435,84.55329077,43.77081616,8.458378558,0,0,278.2003652,316.7502792,320.5922782,404.7643038,491.2507662,533.8705553,501.1212766,258.7613353,0,0,8.897867644,15.14862058,20.05013693,25.21914488,34.36249704,41.3402147,50.35805276,55.92887047,0,0,2.110244062,2.67720995,2.864193187,3.640788101,4.567018768,5.156846639,5.438541602,3.701247422,0,0,175.6104775,330.1411093,473.205228,590.1880374,822.898991,1002.016362,1245.820204,1539.374983,0,0,2.8102125,3.774214146,4.499008405,5.931093977,8.184286306,10.51946299,12.52642305,8.324651359,0,0,0.43759575,0.566400918,0.613278387,0.779929694,0.984305884,1.118169343,1.198603494,0.852444299,0,0,370.2788439,167.5843462,11.48802284,182.0876919,-82.41099191,-12.24010582,188.191152,249.9953381,23.72812866,0.670349885,0.303393373,0.020797826,0.329650115,-0.149196207,-0.022159391,204.5296423,92.56798479,6.345599379,100.5791476,-45.52107412,-6.76102485,0.125124026,0.22676275,2.488431769,5.676580613,552.3665359,0,1,0,393.1393776,19.82774263,7.32569526,529.3948196,23.00858143,8.089590956,577.678469,24.03494267,8.328409298,2.694131832,2.694131832,653.8070862,632.9279866,37.56688042,1.032988112,17.40381631,16.84803155,3.998211508,4.57798827,8.978772981,0.961292265,4.149594424,4.863396753,3.127175472,17.91865183,8.411702179,1.027370921,4.826716517,8.261226127,8.170984201,0.51026616,2.211261603,2.603453425,3.224991925,1.074168141,1.250211673,0.173173171,1.911882863,3.18E-12,1.02E-45,6.30E-101,7.52E-178,1.73E-276,0,0,0,0,0,0,0,0,0.348257413,4.863167147,0.206381407,4.933814538,0.062299116,0.084804326,0.536141596,0.237201379,2.806117479,0.022128907,0.06551718,0.146527405,0.109532539,0.663279687,0.104499291,0.014045995,0.013465547,2.24E-14,7.18E-48,4.44E-103,5.30E-180,1.22E-278,0,0,0,0,0,0,0,0,1.124191339,4.863182969,0.703164371,5.921299816,0.625219745,0.267518904,1.402967632,1.066256259,3.598483185,0.085070804,0.263447377,0.515878139,0.45975007,0.747021813,0.337614722,0.045663232,0.140321385,2.33E-13,7.48E-47,4.63E-102,5.52E-179,1.27E-277,0,0,0,0,0,0,0,0,3.916879296,4.863371714,2.913197394,16.5354162,7.496778618,0.966242018,4.560876677,7.483867487,7.735459316,0.46740045,1.994974689,2.406288257,2.933189533,1.04896822,1.179807049,0.16312586,1.70345321,2.83E-12,9.08E-46,5.62E-101,6.70E-178,1.54E-276,0,0,0,0,0,0,0,0,1.656845653,4.863203048,1.073708191,7.092955688,1.350543649,0.395821923,2.000680438,1.875531736,4.232300633,0.139174638,0.470599625,0.808666951,0.784997871,0.80454645,0.49786352,0.067624018,0.304796799,5.07E-13,1.62E-46,1.00E-101,1.20E-178,2.76E-277,0,0,0,0,0,0,0,0,5.011233796,4.863501933,3.959371922,23.70813621,12.25771314,1.257593306,5.814605532,11.46431849,9.905131275,0.683719013,3.108501765,3.386552859,4.42016928,1.16752391,1.511189118,0.210720891,2.788301473,4.64E-12,1.49E-45,9.19E-101,1.10E-177,2.52E-276,0,0,0,0,0,0,0,0,2.291910098,3.672436276,1.554861626,8.080118132,2.45268518,0.440310333,3.139009587,2.732834197,5.142708868,0.182898381,0.725879226,1.168495226,1.167868509,1.348609304,1.084276411,0.09858244,0.554332901,9.22E-13,2.96E-46,1.83E-101,2.18E-178,5.02E-277,0,0,0,0,0,0,0,0,7.136304388,0.797813871,0.39424315,0.85686776,0.095794819,0.51751526,0.573732509,0.476178631,8.328361409,8.821414402,19.39437657,0.785301641,1.5674264,6.418894019,0.29832868,0.084992606,0.943647581,0.043857577,0.418688369,0.080225794,0.022131145,6.802215305,2.485854444,9.450825506,0.915471372,0.521045308,6.703825881,0.496708235,0.207816884,0.904901223,0.067047071,0.456686652,0.222392391,0.132313223,7.408351001,4.826238086,12.92658721,0.857351835,0.811392266,7.118543304,0.78544805,0.386586978,0.858630486,0.094739838,0.514942273,0.556085646,0.457863508,8.290578331,8.646826084,19.09890729,0.787945729,1.528891427,6.830831848,0.58513406,0.26256472,0.889601433,0.07620391,0.474155844,0.30862054,0.21120993,7.678530628,5.944123388,14.6721127,0.834402149,0.993986314,7.191909608,0.836527948,0.418212581,0.851451107,0.099036652,0.525612062,0.630762339,0.535840797,8.446650137,9.373826978,20.33654161,0.77717666,1.692215198,7.178386256,0.784273606,0.386358287,0.859788077,0.093936028,0.523636293,0.554424678,0.457321957,8.349018149,8.706258496,19.23040382,0.789682115,1.535382929 +UMLYSI0207,L,2-butylhexanal,CCCCC(CCCC)C=O,saturated aldehyde,C10H20O,18459-51-3,3341006,PubChem,,48.2,0,-0.8753,0.76615009,42.2629,31.73786,0,0,31,11,20,0,10,0,1,0,0,0,0,0,0,0,1718.930491,1732.682838,1930.50183,1999.739042,1854.411481,1657.654752,1218.766005,581.20709,281.592025,5073.234683,6409.113945,8470.445138,9002.416372,8334.910152,7328.111807,5871.058635,3753.605572,2068.222976,223.126156,220.251168,409.990752,553.571864,539.25586,476.37096,413.438628,346.234952,186.21226,37.4244621,48.7103262,70.17006938,78.05738039,71.9739942,62.95246534,51.91808791,35.93596378,21.03814958,5151.747887,4356.943487,8904.855256,12814.67492,12446.02555,10967.0704,9477.181417,8316.268993,4616.702266,96.27777778,69,103.75,135.8333333,147.4166667,136.5,131.25,97,37,55.44937068,57.7560946,33.86845316,25.63768003,24.72548641,25.11598109,21.38185974,12.10848104,10.42933426,163.6527317,213.6371315,148.6043007,115.4155945,111.1321354,111.0319971,103.0010287,78.20011608,76.60085098,7.197617935,7.3417056,7.192820211,7.097075179,7.190078133,7.217741818,7.253309263,7.213228167,6.89675037,1.207240713,1.62367754,1.231053849,1.000735646,0.959653256,0.953825232,0.910843648,0.748665912,0.779190725,166.1854157,145.2314496,156.2255308,164.2907041,165.9470074,166.1677333,166.2663406,173.255604,170.9889728,3.105734767,2.3,1.820175439,1.741452991,1.965555556,2.068181818,2.302631579,2.020833333,1.37037037,0.155126673,-0.030757172,-0.059169654,0.009638131,-0.001817633,0.007706826,0.02112308,-0.027078916,-2.29E-04,931.1885439,-48.58179936,-291.1376303,78.21492791,-6.771659688,-7.972451467,-251.3052612,-138.6541077,27.71669211,1517.384343,-97.40685807,-511.0422368,-15.28929725,2.027801679,1.867786323,-448.5470559,47.59826323,12.4840193,1.146603871,-0.004909036,-0.084793956,0.126773099,-0.107940462,-0.117506564,-0.174504666,-0.381906123,0.058822693,6.747894052,-0.455935989,-2.202324787,-0.529481987,-0.017475611,-0.017847212,-2.031067384,0.987564783,-0.037562773,37.06387345,-2.510753722,-11.83061447,-3.64015392,-0.19426178,-0.200240382,-11.14004436,6.56607882,-0.343641265,35.70430108,1.347092149,-2.4715285,1.684876864,-5.174384322,-4.322060354,-1.996618106,-10.49913285,1.693028096,0.005004086,-0.001025239,-0.001038064,1.24E-04,-2.42E-05,1.17E-04,3.71E-04,-5.64E-04,-8.47E-06,30.03834012,-1.619393312,-5.107677725,1.002755486,-0.090288796,-0.120794719,-4.408864232,-2.888627244,1.026544152,48.94788204,-3.246895269,-8.965653278,-0.196016631,0.027037356,0.028299793,-7.869246595,0.991630484,0.462371085,0.036987222,-1.64E-04,-0.001487613,0.001625296,-0.001439206,-0.001780402,-0.003061485,-0.007956378,0.002178618,0.217674002,-0.015197866,-0.038637277,-0.006788231,-2.33E-04,-2.70E-04,-0.035632761,0.020574266,-0.001391214,1.195608821,-0.083691791,-0.20755464,-0.04666864,-0.002590157,-0.003033945,-0.195439375,0.136793309,-0.012727454,1.151751648,0.044903072,-0.043360149,0.021600985,-0.068991791,-0.065485763,-0.035028388,-0.218731934,0.062704744,-0.204880376,-0.207443289,0.024692976,-0.004843062,0.023334949,0.07405555,-0.112736682,-0.001691886,-0.053910879,-0.170038614,0.03338252,-0.003005785,-0.004021351,-0.146774563,-0.096164676,0.034174463,-0.066333723,-0.183167338,-0.004004599,5.52E-04,5.78E-04,-0.160767867,0.020258905,0.009446192,-0.004424083,-0.040219654,0.043942099,-0.038910902,-0.04813561,-0.082771434,-0.215111522,0.058901917,-0.069819391,-0.177500651,-0.031185307,-0.001070445,-0.001242281,-0.163697827,0.094518712,-0.006391272,-0.069999309,-0.173597448,-0.039033369,-0.002166392,-0.002537573,-0.163464313,0.114413098,-0.010645166,0.038986766,-0.037647134,0.018754899,-0.059901621,-0.056857538,-0.030413143,-0.189912413,0.054442939,1.031994275,0.898310415,0.695274388,1.124772692,1.222545663,1.36013418,1.553923808,0.255507364,1.308663181,1.231272645,0.903060664,0.979975304,0.995415256,1.152586086,1.021310558,0.722290822,1.495005851,1.347926888,0.989389393,0.943269097,0.937019017,1.084969389,0.75221288,0.824252509,0.566361249,0.633140242,0.600958,1.198632618,1.343279165,1.555375876,1.934813806,0.114909394,1.547290868,1.364563379,1.018652701,0.941707147,0.934534097,1.082092113,0.657595238,0.828591259,1.549989628,1.359206937,1.02210967,0.945000467,0.939773469,1.088158754,0.645330927,0.819443149,0.505696933,0.594961655,0.600552512,1.225809366,1.36962533,1.54780114,1.951795663,0.085579481,68.91704035,34.58352018,51.16523891,69.12158581,6.283780528,34.58352018,0.25,4.00E-16,3.63E-17,-39.00182869,4000019.329,363638.1208,16.72199073,68.91895892,34.58411225,51.16583099,69.12290348,6.283900316,34.58411225,0.249265579,7.52E-17,6.84E-18,-40.83906975,4000019.329,363638.1208,16.72199073,70.63262475,35.11681513,51.69853387,70.30617472,6.391470429,35.11681513,-0.398994478,1.03E-16,9.39E-18,-40.48992749,4000019.329,363638.1208,16.72199073,68.92097252,34.58473366,51.1664524,69.12428645,6.284026041,34.58473366,0.2484948,3.27E-16,2.98E-17,-39.22128,4000019.329,363638.1208,16.72199073,72.47887953,35.69829263,52.28001137,71.59336604,6.508487822,35.69829263,-1.082294264,1.68E-16,1.53E-17,-39.95517297,4000019.329,363638.1208,16.72199073,69.11813257,34.64563338,51.22735212,69.25978782,6.296344347,34.64563338,0.173134186,5.04E-16,4.58E-17,-38.74588782,4000019.329,363638.1208,16.72199073,80.28014135,40.03486848,60.49633111,80.63544438,7.330494943,40.03486848,0.558333333,4.84E-16,4.40E-17,-38.79183838,4000018.704,363638.064,16.72199055,0,11.98857634,16.0059258,-0.388756215,0.209035804,4.00473962,8.734131136,10,30,29,29,9,1,1,0,0,1,22.82214,3.600787735,3.293101695,3.153048469,2.705497608,2.575531306,2.043893745,1.759359301,1.366120921,1.935042037,1.788607438,1.600622603,1.320282095,1.164684136,0.878248793,0.837753104,0.597911065,3.59970133,3.327366954,3.133711843,2.629759571,2.627585127,2.068705733,1.845382634,1.450731422,1.889083853,1.718100381,1.545125535,1.220685282,1.144974383,0.801565146,0.705472272,0.455235324,3.719282108,3.476869653,3.315595836,2.894941078,2.862981141,2.387529239,2.201803,1.882505432,1.723216931,1.506432068,1.308341915,0.908182925,0.823639039,0.400350897,0.26821579,0.049990365,3.611786515,3.352557552,3.147360308,2.669494685,2.620895393,2.101677506,1.907707617,1.520919022,1.861705069,1.672812438,1.513496337,1.155529416,1.133917784,0.740910212,0.617228045,0.358715961,3.764771458,3.548797436,3.374874425,2.972328688,2.949494316,2.509350272,2.361009518,2.0640878,1.678038535,1.439200858,1.246115866,0.80489372,0.76311372,0.28458807,0.115186524,0.227438119,4.993075411,3.517970731,3.394571103,3.096825612,2.765441129,2.356733942,2.00804563,1.782714176,1.833533814,1.617847009,1.363888192,1.03159947,0.785959773,0.480521246,0.422432703,0.178958453,0,0,1,0,0,2,6,1,0,0,0,0,0,0,0,0,0,0,0,0.204124145,0,0,0,0.166666667,0,0,0,0.49279928,0.594861352,0.552585858,0.303743642,0.346225045,0.352559179,8.527097737,5.346065215,3.558730745,2.509201922,1.538184417,1.070149549,0.564968063,0.144337567,0.775190703,0.534606521,0.355873074,0.250920192,0.17090938,0.133768694,0.112993613,0.072168784,7.805589516,4.799745737,3.180619469,2.049386785,1.213046016,0.824726585,0.372517974,0.144337567,0.709599047,0.479974574,0.318061947,0.204938679,0.134782891,0.103090823,0.074503595,0.072168784,16.13307714,30.20903132,28.60392157,29,18.46578443,238.4370719,0.520421843,0.974484881,0.922707147,0.935483871,0.595670466,7.691518447,3.1819,48.604,35.7405211,52.32223984,71.4810422,6.498276564,35.7405211,1.16E-15,1.05E-16,-37.83275487,4000019.329,363638.1208,16.72199073,116,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,9,1,0,1,0,0,0,0,0,0,0,0,2,0,6,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.51676682,1.130277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.516805556,0,0,2.498798186,0.401388889,0,0.516805556,0,0,0,0,0,0,0,0,4.336673753,0,7.007114985,0,1.130277778,0,0.3425,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.51676682,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.51676682,1.130277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.516805556,0,0,0.232454649,0.401388889,0,0.516805556,0,0,0,0,0,0,0,0,2.168336876,0,1.097222222,0,1.130277778,0,0.3425,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.51676682,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.51676682,1.130277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.516805556,0,0,0.401388889,0.401388889,0,0.516805556,0,0,0,0,0,0,0,0,2.168336876,0,1.204826389,0,1.130277778,0,0.3425,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.51676682,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.33333333,2.121212121,0.516805556,10.51676682,0.232454649,0.3425,5.712912762,0.990833333,3.516766818,7.706881141,0.990833333,3.516766818,7.706881141,5.33333,0.48485,0,0.01515,0.46667,0.7697,0.42571,0.46667,0.7697,0.04095,0,-0.04095,0,0.62992,0.08437,0,0.25,0.09375,0,6.75,0.61364,5.25,0.47727,1.5,0.13636,-3.75,-0.34091,0,0,10.8655,0.98777,13.17688,2.31138,0.21013,4.64101,0.42191,5.34606,0.70505,0.0641,0.06794,0.00618,0.06794,0.00618,0,10.01,1,1,1,1,0,0,0.9,1.094265896,1.785796383,2.808089052,3.228074536,3.043896925,3.292590665,33.92224278,55.35968786,87.05076061,100.0703106,94.36080467,102.0703106,0.220876572,0.360461369,0.56681021,0.651583897,0.614407814,0.664606418,3.859930414,3.168399928,2.146107258,1.726121774,1.910299385,1.661605645,0.220876572,0.360461369,0.56681021,0.651583897,0.614407814,0.664606418,9.285756372,15.55307353,19.9554015,18.25115565,19.483882,19.0253492,41.02908987,31.15020557,24.87281453,27.2561543,25.21956851,26.11259444,11,8.1,6.4,11,1,9,2.45,1.5333,0.125,4.012038575,0.5,0,8.178887546,4.195358823,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.441,0.435,0.583,0.156,5.179,10,10,9,8,5,2,1,0,0,66,2.48490665,2.48490665,2.564949357,2.48490665,2.397895273,2.079441542,1.098612289,0.693147181,0,0,4.343805422,1.151515152,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0.7,9,0.9,0,4,8,1,1.5,0.666666667,0.375,0.24,0.166666667,0.040816327,0.03125,0,0,0,0.15,0.066666667,0.0375,0.026666667,0.020833333,0.008163265,0.015625,0,0,0,0.325454932,35.7405211,52.32223984,71.4810422,6.498276564,35.7405211,1.16E-15,1.05E-16,-37.83275487,4000019.329,363638.1208,16.72199073,17.07,187.670073,4.459431619,3.713572067,4.394449155,5.105945474,5.82008293,6.543911846,7.267525428,7.99530662,8.722091302,9.451323841,80.01420866,3.044522438,0,4.110873864,0,5.361292166,0,6.70073111,0,8.089789176,8.383890344,156.1514153,5.037142428,20.66725978,1.878841799,2.449927538,2.449927538,0,188,10,4.294,40,1.2387,2.144774881,2.884942702,3.595159966,4.717550861,5.783904541,6.864719135,8.32876297,9.598318,10.61025677,82.56821621,81.26166277,85.21498276,105.2042407,133.865032,135.4403745,94.85220535,98.29450566,47.76925588,10.78069993,290.6317085,341.9070947,361.4405473,453.0433675,573.0897608,640.8105965,579.9765514,682.9442252,585.0889714,329.8065097,9.127056859,15.48254542,20.54946644,25.9728903,33.9554928,41.91081494,49.29432622,57.59289976,65.85418381,71.28462811,2.153127559,2.778443088,3.049408197,3.797723247,4.837117663,5.591002439,5.465854747,6.801559625,6.560435092,4.717457082,177.6647257,331.4088294,470.2366972,585.9226733,773.2796318,950.650899,1177.390749,1412.500259,1665.914213,1962.023769,2.8991,4.01091859,5.181357648,7.231592176,9.490969746,13.08821475,13.3465315,11.76250454,13.02602229,10.61025677,0.45415175,0.597338743,0.669231332,0.844064278,1.078837294,1.271065001,1.251783643,1.482076183,1.454519873,1.086490293,447.9896398,330.9267782,13.46332731,194.8356695,-143.923731,-20.09707913,253.1539703,474.8505092,33.56040644,0.696907283,0.514800481,0.020943991,0.303092717,-0.223892446,-0.031263671,287.9790788,212.7281086,8.65456754,125.2452995,-92.51781689,-12.91891111,0.166181817,0.409551123,1.311774708,14.15955093,608.2519676,34.57334169,0.946216583,0.053783417,691.4645869,26.29571423,8.842803632,885.2053085,29.75240005,9.601697141,1223.873146,34.98389839,10.69659293,2.889495525,2.889495525,1515.580619,1414.912821,165.8859249,1.071147703,9.136282177,8.529432635,5.339902326,5.645455692,11.2817115,0.998370391,5.591226105,8.58030765,5.503891711,31.25655834,13.97581053,5.430753958,8.798296807,12.24523797,18.87141079,3.160443551,4.910741878,16.78373641,5.280283447,10.99183786,2.706547915,0.750701801,1.181180802,4.552075903,0.764155249,2.340186684,0.346403458,0.017048723,7.84E-23,6.95E-65,1.19E-128,3.92E-214,2.49E-321,0,0,0,0.485726627,8.579998666,0.411135702,9.61161786,1.031497004,1.247630896,2.502812524,0.883727418,5.384860759,0.277361169,0.293835668,0.985280204,0.158268999,3.146173366,0.114384494,0.060424053,0.090642427,0.085967932,0.764029657,0.172567609,0.002439756,1.20E-04,5.52E-25,4.89E-67,8.37E-131,2.76E-216,2.0E-323,0,0,0,1.520606839,8.579902182,1.095271671,11.2695705,1.929633647,1.461135315,2.989256055,2.23998507,7.137606508,0.50862061,0.805720862,3.377020441,0.694717153,4.50219465,0.4435461,0.190130176,0.292259254,0.472594864,0.764050114,0.572770255,0.025424075,0.00125128,5.75E-24,5.10E-66,8.72E-130,2.88E-215,1.8E-322,0,0,0,5.282772189,8.580332308,5.682501227,29.1196985,12.73332853,5.678420829,8.823524766,11.68587143,17.88272921,3.018298857,4.979505591,15.55535573,4.795687661,10.4247256,2.477120351,0.704483326,1.106994919,4.09293604,0.764145728,2.192538313,0.30863925,0.015190105,6.98E-23,6.19E-65,1.06E-128,3.49E-214,2.223E-321,0,0,0,2.233519278,8.579888477,1.514226217,13.2311956,3.021787991,1.717318693,3.568080217,3.362058605,8.589407471,0.751393065,1.157303904,5.258818678,1.211826528,5.505932593,0.728875768,0.282493177,0.436893857,0.893885773,0.764065695,0.860043096,0.055224468,0.002717947,1.25E-23,1.11E-65,1.89E-129,6.25E-215,3.95E-322,0,0,0,6.75223827,8.580520816,7.425171252,40.69625911,19.93740214,7.128966924,10.83407854,16.45837575,23.68925593,4.371318575,6.82343089,21.79362479,7.314881387,13.19028565,3.636331666,0.926324482,1.464287024,6.462944278,0.764192582,2.9038348,0.505196862,0.02486396,1.14E-22,1.01E-64,1.73E-128,5.72E-214,3.636E-321,0,0,0,3.55415496,7.747771489,6.576914065,18.73877716,7.015135321,7.731787217,9.57049715,9.329241672,12.46376761,2.402038399,5.624740243,9.19820753,2.326724066,7.670876416,1.246913654,0.408997703,0.829186492,1.850130446,1.145640845,1.638230602,0.129847234,0.006390608,2.94E-23,2.60E-65,4.45E-129,1.47E-214,9.3E-322,0,0,0,11.22991991,1.006444491,0.587138033,0.875729542,0.078484369,0.527754639,0.39948961,0.426503042,12.82350243,18.48672595,37.9462333,0.813594313,1.353747291,8.860619316,0.894504453,0.211323186,0.889044948,0.089751589,0.328902681,0.290037752,0.043431691,9.966446955,9.987347266,21.62871293,0.833567422,0.662372125,10.06146307,0.810722989,0.358856163,0.895861922,0.072185909,0.423671313,0.242000645,0.142249412,11.23104223,12.0586104,26.21686367,0.843792883,0.80792137,11.06038644,1.030889162,0.584113982,0.872587495,0.081329978,0.511949286,0.403341702,0.399828064,12.67538958,18.46471565,37.80019185,0.808881242,1.315119052,10.54923946,0.819357342,0.417827629,0.895033054,0.06951704,0.465714709,0.260938538,0.211994745,11.78642443,13.39371064,28.79166862,0.842549582,0.938647992,11.34402711,1.042488787,0.618222129,0.872299549,0.080162229,0.538534774,0.428441491,0.472619071,13.00473802,19.48363928,39.79948522,0.808449323,1.439595336,11.07289848,1.040981479,0.586425649,0.87186079,0.081965073,0.51311112,0.408821317,0.398925977,12.70030561,18.63057215,38.09041986,0.807791185,1.320858414 +UMLYSI0208,L,4-methylheptane,CCCC(C)CCC,linear alkanes,C8H18,589-53-7,11512,PubChem,,48.1,0,0.1712,0.02930944,35.0595,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1362.056143,1256.231094,1068.618941,629.730194,299.881177,84.835296,9.144576,3947.642614,5029.877407,6581.332248,6822.461001,6095.416356,4638.363184,2627.730376,1061.424631,279.7536999,181.25648,180.900988,339.41734,440.170584,437.75186,374.819528,307.144612,123.32736,60.466176,30.31423229,39.56609758,56.48150844,62.14427773,57.12426502,46.08988759,29.04118186,12.01662072,4.001516144,4342.872585,3643.766351,7578.921305,10347.21917,10532.52289,9042.633905,7945.220002,3137.747111,1664.258868,40.77777778,48.5,74.58333333,91.16666667,89.25,79,55,24,9,45.09238923,49.11105724,28.37616965,19.9401761,16.96220541,11.66167026,6.664026156,4.713072,1.016064,151.8324082,201.1950963,137.1110885,108.2930318,96.75264057,85.89561452,58.39400836,58.96803508,31.08374443,6.971403077,7.23603952,7.071194583,6.986834667,6.948442222,6.94110237,6.825435822,6.85152,6.718464,1.165932011,1.582643903,1.176698093,0.986417107,0.906734365,0.853516437,0.645359597,0.66759004,0.444612905,167.033561,145.7506541,157.8941939,164.2415742,167.1829029,167.4561834,176.5604445,174.3192839,184.917652,1.568376068,1.94,1.553819444,1.447089947,1.416666667,1.462962963,1.222222222,1.333333333,1,0.03670553,-0.005844745,-0.010337872,-0.004584745,0.003186368,-0.013158062,0.009424713,-0.001765302,0.004726879,670.5194345,-58.02572029,-166.9134917,-116.0514406,-13.61097143,-256.4593563,189.837233,-17.19280601,103.1568361,1246.859521,-107.9013047,-310.3827653,-215.8026093,-25.31018258,-476.8971243,353.0104412,-31.97075694,191.8245416,0.131350154,-0.01136684,-0.032697207,-0.02273368,-0.002666296,-0.050238627,0.037187811,-0.003367953,0.020207716,5.574042193,-0.482369036,-1.387555375,-0.964738072,-0.113148292,-2.131952035,1.57812092,-0.142924159,0.857544953,30.27828566,-2.620236259,-7.537222819,-5.240472518,-0.61462332,-11.58079729,8.572377884,-0.776366299,4.658197794,3.017094017,-1.157462196,-0.320019724,-0.515779093,1.182938856,-1.650887574,1.047337278,-0.473372781,0.378698225,0.001411751,-2.34E-04,-2.15E-04,-7.28E-05,5.06E-05,-2.44E-04,2.09E-04,-9.81E-05,5.25E-04,25.78920902,-2.321028812,-3.47736441,-1.842086358,-0.216047165,-4.74924734,4.218605179,-0.95515589,11.46187067,47.95613541,-4.316052187,-6.46630761,-3.425438243,-0.40174893,-8.831428228,7.844676471,-1.776153163,21.31383796,0.005051929,-4.55E-04,-6.81E-04,-3.61E-04,-4.23E-05,-9.30E-04,8.26E-04,-1.87E-04,0.002245302,0.214386238,-0.019294761,-0.028907404,-0.015313303,-0.001796005,-0.039480593,0.035069354,-0.007940231,0.095282773,1.164549448,-0.10480945,-0.157025475,-0.083182103,-0.009755926,-0.214459209,0.190497286,-0.043131461,0.517577533,0.116042078,-0.046298488,-0.006667078,-0.00818697,0.018776807,-0.030571992,0.023274162,-0.026298488,0.042077581,-0.165602689,-0.152556872,-0.051548554,0.035825916,-0.172599686,0.148353387,-0.069468584,0.37202649,-0.09,-0.134837963,-0.071428571,-0.008377425,-0.184156379,0.163580247,-0.037037037,0.444444444,-0.09,-0.134837963,-0.071428571,-0.008377425,-0.184156379,0.163580247,-0.037037037,0.444444444,-0.09,-0.134837963,-0.071428571,-0.008377425,-0.184156379,0.163580247,-0.037037037,0.444444444,-0.09,-0.134837963,-0.071428571,-0.008377425,-0.184156379,0.163580247,-0.037037037,0.444444444,-0.09,-0.134837963,-0.071428571,-0.008377425,-0.184156379,0.163580247,-0.037037037,0.444444444,-0.39898017,-0.057453966,-0.070551733,0.161810333,-0.263456091,0.200566572,-0.226628895,0.362606232,1.70099103,1.247361376,1.02229393,0.886345971,1.15762637,0.532267913,0.882982468,0,1.625,1.316550926,1.07473545,0.93143739,1.086676955,0.50154321,0.752314815,0,1.625,1.316550926,1.07473545,0.93143739,1.086676955,0.50154321,0.752314815,0,1.625,1.316550926,1.07473545,0.93143739,1.086676955,0.50154321,0.752314815,0,1.625,1.316550926,1.07473545,0.93143739,1.086676955,0.50154321,0.752314815,0,1.625,1.316550926,1.07473545,0.93143739,1.086676955,0.50154321,0.752314815,0,2.007082153,0.93506551,0.942600836,0.70147039,1.457743154,0.506373938,1.38101983,0,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,39.0840461,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,-3.55E-15,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,47.5484976,23.67702658,36.65055625,47.40266426,5.925333033,23.67702658,-0.194444444,5.00E-16,6.25E-17,-28.18617854,3000010.303,375001.2878,11.93130102,0,11.89,12.11011416,-0.170392061,0.049945123,5.23605134,8.270754938,7,25,25,25,7,0,0,0,0,0,19.677726,3.534483928,3.158726067,2.863458865,2.258207362,2.18392002,1.531119992,1.33214981,0.922347198,1.9340824,1.708882991,1.522833628,1.165465255,1.091617933,0.708131295,0.62252576,0.359489416,3.561317793,3.197240258,2.910543171,2.328648091,2.253323613,1.627937686,1.442861713,1.051068945,1.875412277,1.631733601,1.432672492,1.050742388,0.975709625,0.567377651,0.473240653,0.198741368,3.679518946,3.364701014,3.114259642,2.623190037,2.546003084,2.023129484,1.884943921,1.553301492,1.703151529,1.397661851,1.154054021,0.67873749,0.601565151,0.095763495,0.035334264,0.357899068,3.581098334,3.225530555,2.945094684,2.379795041,2.303876515,1.697729238,1.522049418,1.142372637,1.838077868,1.581957035,1.374050783,0.974769584,0.899064477,0.473031062,0.37260324,0.089774408,3.737189767,3.444790866,3.210733213,2.756758609,2.679762813,2.196769962,2.074844725,1.764063352,1.64954002,1.322620074,1.063286486,0.551092445,0.474040332,0.072053907,0.220196471,0.564574256,3.563125416,3.285915969,3.063705325,2.52190925,2.401877879,1.792072835,1.627016104,1.251665728,1.840779565,1.509387149,1.244209841,0.814098537,0.769985066,0.34329841,0.235437737,0.049907801,0,0,0,0,0,3,4,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.40824829,0.552585858,0.288675135,0.40824829,0.552585858,0.288675135,6.405777394,3.808060412,2.682521985,1.562948829,1.129936127,0.288675135,0.144337567,0,0.800722174,0.54400863,0.383217426,0.260491471,0.225987225,0.144337567,0.144337567,0,6.405777394,3.808060412,2.682521985,1.562948829,1.129936127,0.288675135,0.144337567,0,0.800722174,0.54400863,0.383217426,0.260491471,0.225987225,0.144337567,0.144337567,0,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.2227,38.98,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,61,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,3,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,6.8525,0,5.51787037,0,0,0,0.962962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.256111111,0,1.34837963,0,0,0,0.962962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.340277778,0,1.410555556,0,0,0,0.962962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33333333,1.666666667,0.2,2.340277778,0.2,0.962962963,6.029152778,0.37037037,0.340277778,1.705,0.37037037,0.340277778,1.705,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.375,0.125,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,8.49821,1.06228,8.49821,0,0,3.80805,0.47601,3.80805,0,0,0.10595,0.01324,0.10595,0.01324,0,7,0,0,0,0,0,0,1,0.89049164,1.322995967,2.449311833,2.997952699,2.950063756,2.894089633,23.15278265,34.39789514,63.68210766,77.94677017,76.70165767,75.24633045,0.189448582,0.281462171,0.521081426,0.637802605,0.627614422,0.615706148,3.809948078,3.377443751,2.251127885,1.702487019,1.750375962,1.806350086,0.191756937,0.284891675,0.527430595,0.645573975,0.635261652,0.623208281,6.648700044,11.83875197,15.82968534,15.53706742,16.33435566,14.29071062,31.72521615,24.13720728,21.55143116,21.17512302,20.33135472,18.84404937,8,5.142857143,5,8,0,7,2.34,1.2358,0.655185349,4.813703899,1.44224957,0,2.941682753,2.828427125,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.538,7,6,5,2,1,0,0,0,0,36,2.079441542,2.079441542,1.945910149,1.791759469,1.098612289,0.693147181,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,7,1,0,3,6,1,1.5,0.666666667,0.375,0.08,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.0625,0.016,0.027777778,0,0,0,0,0,0.415801587,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,0,146.9243357,4,3.36729583,4.007333185,4.709530201,5.370638028,6.084499413,6.751101469,7.467942332,8.135932772,8.853522561,69.74779579,2.708050201,0,3.761200116,0,4.990432587,0,6.304448802,0,7.656810091,7.96241568,114.1408506,4.390032714,14.6584741,1.832309262,0,0,0,75,6,4.831,28,1.2278,2.11761443,2.868995454,3.539278481,4.498648379,5.533468565,7.18179224,8.149714457,0,0,71.2221278,68.08752346,66.16278356,74.38123794,64.34094545,45.61131578,36.17614296,8.28063147,0,0,272.5498825,313.605011,335.0969615,386.8582916,430.6343555,359.5416045,441.0536558,253.3236414,0,0,8.919363223,15.02844115,20.09578731,24.70704828,31.36729715,37.89712103,49.28997252,54.75356319,0,0,2.081648384,2.634998592,2.975411712,3.490821247,4.140921601,3.828307983,4.934891604,3.623468219,0,0,176.77647,330.4239685,467.6398063,583.2624786,742.5233106,967.0484853,1245.251567,1507.026062,0,0,2.440753333,3.391076992,4.246726094,5.232301433,6.862767084,7.050261747,9.785607939,8.149714457,0,0,0.4321989,0.557170835,0.636008304,0.748529724,0.895874319,0.844370063,1.093700566,0.83453076,0,0,413.1513735,185.0067345,10.05125475,142.7768776,-63.93463895,-8.686500947,270.3744958,248.9413735,18.7377557,0.743173913,0.33278887,0.018080129,0.256826087,-0.115005199,-0.015625219,229.6825205,102.8504704,5.587776474,79.37369988,-35.54307202,-4.829071279,0.066175841,0.145510949,0.944244624,9.472574837,555.9282511,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,713.4812626,26.71107004,8.93567828,1.910406936,1.910406936,723.9846179,671.6417839,93.29786241,1.077932665,7.759927175,7.198897879,4.431211399,4.466158665,8.836778877,0.978608361,5.020209962,6.639728116,2.866163207,24.32112914,9.403257044,6.009815998,7.079127333,9.442500637,11.10889945,3.728602491,3.632504051,7.56102821,4.322884441,0.860264763,2.474850258,0.241081057,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.421311435,6.639327266,0.184339015,7.458642858,1.057465414,0.177347239,0.600382346,0.508825504,3.202275592,0.063405831,0.028442469,0.341267531,0.148779883,0.859561027,0.112752628,0.00169802,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.360044669,6.63935476,0.632099406,9.325651685,1.624157269,0.787877199,1.537158974,1.749009115,4.285247395,0.369090962,0.272629812,1.269832108,0.621296789,0.859696005,0.426540802,0.017694156,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,4.738668689,6.639684357,2.66672847,22.7316426,8.490149494,5.447571208,6.546064753,8.689210486,10.43703308,3.347694212,3.237997185,6.926186278,3.933091809,0.860218614,2.270681911,0.214798927,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,2.004455605,6.639389765,0.969063133,11.0749401,2.350731365,1.379201255,2.294741161,2.773570897,5.186320275,0.710309649,0.586186897,2.069126672,1.058348264,0.859791238,0.691937989,0.038433908,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,6.062630571,6.639911958,3.644610107,30.83891522,13.24073322,8.324527809,9.20773375,12.46592055,13.80978338,5.316659697,5.290600372,10.13053265,5.918549787,0.860439114,3.298422411,0.351593848,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,3.145998243,5.861721594,1.441187922,14.1479237,4.113308525,2.790803851,3.396508037,4.437458522,7.071024033,1.429440683,1.313090613,4.009919709,1.836415948,1.238209101,1.337303337,0.086789491,0.05015848,5.68E-20,1.24E-59,5.23E-121,4.25E-204,0.00E+00,0,0,0,0,0,0,0,0,6.6874255,1.148008599,0.587119941,0.793990216,0.13630172,0.505723297,0.426362491,0.42870124,8.42255404,12.27756159,25.20756575,0.690985324,1.360787028,5.704735851,0.637965703,0.179975959,0.874600322,0.097807335,0.368015513,0.131593489,0.040184237,6.522677513,4.780959611,11.95864628,0.811900483,0.53979324,6.109760955,0.848181415,0.347787747,0.836297106,0.116098104,0.422127343,0.232663842,0.150229542,7.305730116,7.60207279,16.71010359,0.754445659,0.805020728,6.664530653,1.136125257,0.57763453,0.79545233,0.13560347,0.502266469,0.417576575,0.414941744,8.37829044,12.07766981,24.82965965,0.693178495,1.334784788,6.283877301,0.938552701,0.4199268,0.822243382,0.122809328,0.446529792,0.284913233,0.219109969,7.642356802,8.930641932,19.04962202,0.733365073,0.950552993,6.758662913,1.184983741,0.616633767,0.78953756,0.138428145,0.51655506,0.454285498,0.472952483,8.560280422,12.90722643,26.40606852,0.684306339,1.44379304,6.687124622,1.140193908,0.578577182,0.795527907,0.135642167,0.505677791,0.420527754,0.416114854,8.405895712,12.15332665,24.9706528,0.69329186,1.342320399 +UMLYSI0209,L,"3,3-dimethylpentane",CCC(C)(C)CC,linear alkanes,C7H16,562-49-2,11229,PubChem,,47.7,0,1.528,2.334784,34.3257,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1410.479624,1313.632662,593.499481,121.4136,9.144576,0,0,3461.958223,4376.887272,6118.039963,7044.624533,5474.660402,2180.439431,279.7536999,0,0,160.279036,159.125208,296.735264,382.099416,498.123172,365.192064,60.466176,0,0,26.63610648,34.55010896,50.80666687,62.15635002,57.10008402,28.02268529,4.001516144,0,0,3846.242925,3210.7269,6665.652931,8492.189678,12174.9141,9794.782583,1664.258868,0,0,38.0625,44.75,66.75,93.5,106,60,9,0,0,44.61329874,48.14991518,33.58284819,24.32653078,8.243048347,2.2484,1.016064,0,0,150.5199227,198.9494215,145.6676182,130.4560099,76.03695003,40.37850798,31.08374443,0,0,6.968653739,7.232964,7.065125333,7.075915111,6.918377389,6.762816,6.718464,0,0,1.158091586,1.570459498,1.209682544,1.151043519,0.793056722,0.518938617,0.444612905,0,0,167.2279533,145.9421318,158.7060222,157.2627718,169.0960292,181.3848627,184.917652,0,0,1.654891304,2.034090909,1.589285714,1.731481481,1.472222222,1.111111111,1,0,0,0.031306772,-0.008413449,0.008081882,-0.016402808,-0.021579506,0.017901895,0.004758601,0,0,589.5388264,-58.58770946,113.0559706,-436.6615221,-397.9844795,384.4818433,100.9264839,0,0,1096.272622,-108.9463475,210.232405,-811.9907464,-740.0691342,714.9604056,187.6771065,0,0,0.115486609,-0.01147693,0.022146888,-0.085538994,-0.077962427,0.075317353,0.019770805,0,0,4.900848691,-0.487040864,0.939836667,-3.629976438,-3.308453367,3.196205668,0.839003988,0,0,26.62148787,-2.645613702,5.10520769,-19.71808962,-17.9715712,17.36183992,4.557482978,0,0,3.364130435,-1.89721172,1.144848771,-0.061436673,-2.781190926,1.44399811,0.468927221,0,0,0.001361164,-3.82E-04,1.92E-04,-3.04E-04,-3.00E-04,3.32E-04,5.29E-04,0,0,25.63212289,-2.663077703,2.691808824,-8.086324483,-5.527562215,7.120034136,11.21405376,0,0,47.66402704,-4.952106706,5.005533452,-15.03686567,-10.27873797,13.24000751,20.85301183,0,0,0.005021157,-5.22E-04,5.27E-04,-0.001584055,-0.001082811,0.001394766,0.002196756,0,0,0.213080378,-0.022138221,0.022377063,-0.067221786,-0.045950741,0.059188994,0.093222665,0,0,1.157455995,-0.120255168,0.121552564,-0.365149808,-0.249605156,0.321515554,0.506386998,0,0,0.146266541,-0.086236896,0.027258304,-0.001137716,-0.038627652,0.026740706,0.052103025,0,0,-0.280957707,0.141368531,-0.223158782,-0.220190485,0.243553729,0.388442115,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.103896104,0.105017007,-0.31547619,-0.215649802,0.277777778,0.4375,0,0,-0.589587311,0.186360489,-0.007778376,-0.264090827,0.182821756,0.356219709,0,0,1.820571573,0.87386498,1.385409186,1.182266495,0.302033566,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,1.642857143,1.075680272,1.505952381,1.06671627,0.250992063,0,0,0,2.192245557,0.642280175,1.142912703,1.339705618,0.363309998,0,0,0,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,26.13962235,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,35.39635054,17.5815086,25.27166631,35.22968387,5.032811982,17.58150865,-0.233333333,1.22E-15,1.74E-16,-24.03723371,4000004.07,571429.1528,10.64126416,0,11.89,12.11009426,-0.167985522,0.052561797,5.591467234,8.899502724,6,22,22,22,6,0,0,0,0,0,17.491312,3.574978343,2.902564078,2.685171409,2.333552793,1.799662052,1.598026915,0.443021474,0.083923071,1.942186947,1.563026335,1.43543247,1.249629723,0.873444649,0.769718516,0.083923071,0.083923071,3.598605629,2.950308951,2.74069663,2.405454588,1.886405282,1.695309721,0.55220905,0.270913902,1.886429748,1.473453684,1.336134217,1.134540686,0.74261092,0.630337185,0.270913902,0.270913902,3.704581195,3.155598408,2.977445718,2.704236987,2.243010376,2.090117344,0.964952634,0.943918427,1.726127666,1.195492746,1.023013433,0.76031856,0.309093543,0.162386152,0.943918427,0.943918427,3.616126269,2.985267979,2.781255866,2.457539916,1.949059228,1.765276817,0.628971729,0.399277246,1.85123465,1.415133181,1.271070023,1.058262671,0.655276683,0.536857124,0.399277246,0.399277246,3.757360594,3.252217518,3.087536905,2.838982085,2.401293357,2.26277616,1.207644823,1.207644823,1.677416459,1.104407163,0.918752736,0.631337262,0.156681707,0.004703131,1.129594515,1.207644823,3.577637728,3.061422362,2.899211901,2.612600818,2.030943263,1.838196629,0.625239344,0.571428571,1.875379131,1.325313653,1.140967173,0.898315104,0.545257359,0.431448195,0.571428571,0.571428571,0,0,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,0,0,1.207106781,0.25,0,0,1.207106781,0.25,0,0,1.707106781,1,0,1.707106781,1,0,5.914213562,3.121320344,2.871320344,1.914213562,0.25,0,0,0,0.844887652,0.520220057,0.358915043,0.319035594,0.25,0,0,0,5.914213562,3.121320344,2.871320344,1.914213562,0.25,0,0,0,0.844887652,0.520220057,0.358915043,0.319035594,0.25,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,34,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,9.076388889,0,2.590277778,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.239583333,0,1.295138889,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.298611111,0,1.295138889,0,0,0,0,0,0,0,0,0,0.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.25,1.75,0.2,2.298611111,0,0.583333333,5.312430556,0.666666667,0.298611111,2.152777778,0.666666667,0.298611111,2.152777778,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.57143,0,0.14286,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.84027,1.12004,7.84027,0,0,3.12132,0.4459,3.12132,0,0,0.29268,0.04181,0.29268,0.04181,0,6,0,0,0,0,0,0,1,0.886540893,1.306170652,2.044451086,2.566190217,2.36951361,1.756720226,20.39044053,30.04192499,47.02237498,59.02237498,54.49881302,40.4045652,0.195982923,0.288748262,0.451956026,0.567294146,0.523815885,0.388348882,3.637021063,3.217391304,2.47911087,1.95737174,2.154048346,2.76684173,0.19880132,0.292900702,0.45845553,0.575452308,0.531348793,0.393933662,6.634953582,11.67051069,14.32625079,14.85207255,12.49195327,5.138432664,27.76507516,21.21742031,19.84231067,20.03452107,18.85446143,11.50094083,7,2.34375,2.666666667,7,0,5,2.23,1.0949,2.039648903,4.298279727,0,2.828427125,0.5,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,2.855,8,6,1,0,0,0,0,0,0,28,1.945910149,2.197224577,1.945910149,0.693147181,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,3,1.111111111,0.125,0,0,0,0,0,0,0,0.5,0.138888889,0.020833333,0,0,0,0,0,0,0,0.659722222,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,0,129.6283511,3.807354922,3.36729583,4.043051268,4.844187086,5.549076085,6.354370041,7.063903961,7.870547845,8.580918882,9.387900612,70.06125161,2.564949357,0,3.80666249,0,5.262690189,0,6.767343125,0,8.282230063,8.532278829,100.1252005,4.353269587,12.44270382,1.777529117,0,0,0,44,6,4.299,28,1.224818182,2.110039005,2.924159227,3.474757511,3.952964644,5.71185753,0,0,0,0,69.72220731,81.39693149,76.11385697,31.90081193,10.61486373,5.803612809,0,0,0,0,268.787596,337.4239973,396.2765835,274.4580573,172.6406646,177.5459197,0,0,0,0,8.893455721,14.97568724,20.72699372,24.06670898,26.79532824,38.37490919,0,0,0,0,2.059771149,2.735845826,3.457950507,2.821098814,2.155507404,2.539565568,0,0,0,0,176.6115071,329.9879212,457.2457905,585.5682262,712.0570339,1056.223283,0,0,0,0,2.538829545,3.501396601,5.152654435,5.169126467,4.547896064,5.71185753,0,0,0,0,0.427911136,0.575376064,0.73538305,0.616797951,0.486646143,0.584894211,0,0,0,0,351.2538824,135.6087776,8.422640101,123.6246489,-47.72783548,-7.249936546,227.6292335,183.336613,15.67257665,0.739671009,0.285565189,0.01773641,0.260328991,-0.100505355,-0.015266928,166.8029278,64.39769712,3.999730961,58.7066917,-22.66492441,-3.442839219,0.06936215,0.167822642,1.367179659,8.42336208,474.8785313,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,651.8861034,25.53206031,8.670761509,1.600376192,1.20582466,301.9411244,301.0866254,117.3617398,1.00283805,2.572738994,2.565458095,3.7171057,3.220194404,6.42424645,0.994987148,4.462408855,5.691187203,2.528752837,30.60273147,5.933777466,9.998374675,9.367718843,8.391585578,4.005473465,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851897,0.149881511,8.932443656,2.023351974,0.331592865,0.652671376,0.333439406,0.957409077,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690874933,0.524912857,11.8618731,2.301177387,1.404778953,1.996587945,1.320719156,1.162491535,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691150612,2.344012169,28.7475861,5.510292301,9.088187436,8.680297607,7.665648812,3.67131965,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690904229,0.815183813,14.31641578,2.64640617,2.408719208,3.048308136,2.193698832,1.4271176,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691340921,3.257168424,38.07157851,7.710774744,13.72990057,12.08766339,11.34352843,5.410230557,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.732087054,4.568276431,1.078605138,18.19740676,3.907136712,4.373030767,4.932270683,3.322899843,2.227401361,1.559038414,0.053081045,0.367905486,2.62E-15,3.60E-51,9.54E-109,4.88E-188,4.81E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.143134216,1.083373056,1.042643022,0.596516334,0.205606786,0.457022849,0.472182242,0.451937121,5.269150294,7.811925237,16.63146991,0.394774501,1.381142212,2.425158869,0.590249567,0.584676146,0.673639414,0.163954361,0.272077387,0.140160268,0.142114195,3.600084582,3.194486356,7.631505007,0.510459121,0.55435185,2.722543607,0.794500869,0.774365612,0.634417022,0.185137485,0.342895472,0.253946564,0.24928655,4.291410088,4.88654156,10.85295345,0.451625533,0.846128586,3.12654359,1.071978198,1.032060545,0.597742926,0.204944331,0.452210911,0.462301704,0.442809658,5.230582334,7.684715251,16.37433784,0.396614389,1.357322272,2.849753172,0.881871591,0.855507349,0.621249422,0.192249006,0.375687333,0.312870267,0.304266557,4.587132112,5.705548772,12.4426704,0.431874133,0.992824157,3.194714628,1.118799778,1.07554404,0.59281499,0.207605798,0.472145876,0.503568241,0.480909248,5.389058445,8.213620724,17.44693817,0.389222485,1.456623365,3.134797151,1.075002078,1.032151288,0.598021126,0.205076731,0.454601587,0.464913542,0.442887528,5.241950518,7.71506315,16.43527418,0.397031689,1.362402657 +UMLYSI0210,L,"2,2-dimethylpentane",CCCC(C)(C)C,linear alkanes,C7H16,590-35-2,11542,PubChem,,47.4,0,1.3819,1.90964761,32.8025,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1410.479624,1071.500644,702.539211,236.216736,27.433728,0,0,3461.958223,4376.887272,6118.039963,6594.369706,4921.080766,2624.766494,839.2610996,0,0,160.279036,159.125208,296.735264,382.051984,493.380588,249.049728,181.398528,0,0,26.63610648,34.55010896,50.80666687,60.14350145,51.08575573,28.04682987,12.00454843,0,0,3846.242925,3210.7269,6665.652931,8481.255853,12567.38918,6084.723595,4992.776605,0,0,38.0625,44.625,68.125,94,92.25,54,27,0,0,44.61329874,48.14991518,33.58284819,19.84260452,9.757489042,6.561576,1.016064,0,0,150.5199227,198.9494215,145.6676182,122.1179575,68.34834397,72.9101804,31.08374443,0,0,6.968653739,7.232964,7.065125333,7.075036741,6.852508167,6.918048,6.718464,0,0,1.158091586,1.570459498,1.209682544,1.113768545,0.709524385,0.779078607,0.444612905,0,0,167.2279533,145.9421318,158.7060222,157.0602936,174.5470719,169.0200999,184.917652,0,0,1.654891304,2.028409091,1.62202381,1.740740741,1.28125,1.5,1,0,0,0.031308089,-0.007806788,0.009954919,-0.035290689,0.018020307,-0.015105076,0.014573283,0,0,589.5388264,-58.58770946,113.0559706,-678.7935401,286.3016583,-259.5252442,302.7794516,0,0,1096.272622,-108.9463475,210.232405,-1262.245573,532.3901592,-482.5982738,563.0313194,0,0,0.115486609,-0.01147693,0.022146888,-0.132970994,0.056084529,-0.050839214,0.059312416,0,0,4.900848691,-0.487040864,0.939836667,-5.642825007,2.380031721,-2.157438826,2.517011964,0,0,26.62148787,-2.645613702,5.10520769,-30.651915,12.92837008,-11.71924194,13.67244894,0,0,3.364130435,-2.02221172,2.519848771,-4.167414934,2.813917769,-2.232986767,1.406781664,0,0,0.001361221,-3.55E-04,2.37E-04,-6.54E-04,2.50E-04,-4.20E-04,5.40E-04,0,0,25.63212289,-2.663077703,2.691808824,-12.57025074,3.976411921,-7.209034562,11.21405376,0,0,47.66402704,-4.952106706,5.005533452,-23.37491802,7.394307767,-13.40550761,20.85301183,0,0,0.005021157,-5.22E-04,5.27E-04,-0.002462426,7.79E-04,-0.0014122,0.002196756,0,0,0.213080378,-0.022138221,0.022377063,-0.104496759,0.033055996,-0.059928856,0.093222665,0,0,1.157455995,-0.120255168,0.121552564,-0.567628056,0.179560696,-0.325534498,0.506386998,0,0,0.146266541,-0.091918715,0.059996399,-0.077174351,0.039082191,-0.06202741,0.052103025,0,0,-0.260687952,0.174124426,-0.480106583,0.183865802,-0.308241911,0.396519835,0,0,-0.103896104,0.105017007,-0.490410053,0.155133929,-0.28125,0.4375,0,0,-0.103896104,0.105017007,-0.490410053,0.155133929,-0.28125,0.4375,0,0,-0.103896104,0.105017007,-0.490410053,0.155133929,-0.28125,0.4375,0,0,-0.103896104,0.105017007,-0.490410053,0.155133929,-0.28125,0.4375,0,0,-0.103896104,0.105017007,-0.490410053,0.155133929,-0.28125,0.4375,0,0,-0.628432956,0.410185399,-0.527628194,0.267198438,-0.424071082,0.356219709,0,0,1.799361069,0.862060939,1.685310403,0.547746638,1.29890239,9.23E-05,0,0,1.642857143,1.075680272,1.673280423,0.564732143,1.129464286,0,0,0,1.642857143,1.075680272,1.673280423,0.564732143,1.129464286,0,0,0,1.642857143,1.075680272,1.673280423,0.564732143,1.129464286,0,0,0,1.642857143,1.075680272,1.673280423,0.564732143,1.129464286,0,0,0,1.642857143,1.075680272,1.673280423,0.564732143,1.129464286,0,0,0,2.229402262,0.428186784,1.843041345,0.383178514,1.634894992,0,0,0,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,27.27052451,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,5.33E-15,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,36.3946862,18.08067644,27.80994209,36.22801954,5.175431363,18.08067647,-0.233333333,0.127721323,0.018245903,-1.440533189,20.26240464,2.894629234,2.106137027,0,11.89,12.11009426,-0.159452624,0.061766663,5.284182967,8.590248746,6,22,22,22,6,0,0,0,0,0,17.491312,3.559019746,3.043630064,2.333552793,2.333552793,2.205224195,1.392743986,0.464923411,0.083923071,1.936237422,1.635934057,1.249629723,1.249629723,1.112240326,0.645437315,0.083923071,0.083923071,3.583497694,3.085294105,2.405454588,2.405454588,2.27490309,1.498421471,0.569930782,0.270913902,1.879388158,1.553533088,1.134540686,1.134540686,0.99676252,0.498707768,0.270913902,0.270913902,3.692938747,3.266372735,2.704236987,2.704236987,2.567975623,1.924352126,0.966354443,0.943918427,1.715118272,1.301954111,0.76031856,0.76031856,0.623499391,0.001748192,0.943918427,0.943918427,3.601631153,3.1159022,2.457539916,2.457539916,2.325607286,1.574268049,0.643706769,0.399277246,1.843430361,1.500221837,1.058262671,1.058262671,0.92036888,0.399985398,0.399277246,0.399277246,3.747225935,3.352774406,2.838982085,2.838982085,2.701595331,2.108963702,1.207644823,1.207644823,1.664941284,1.220907543,0.631337262,0.631337262,0.496015287,0.17746893,1.124415101,1.207644823,3.573490055,3.16845246,2.612600818,2.612600818,2.395325552,1.641222903,0.628860786,0.571428571,1.85929621,1.429357542,0.898315104,0.898315104,0.820678315,0.298019687,0.571428571,0.571428571,0,0,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.560660172,0.353553391,0,0,0.75,1,0.25,0.75,1,0.25,5.914213562,3.060660172,3.310660172,1,0.75,0,0,0,0.844887652,0.510110029,0.413832521,0.25,0.25,0,0,0,5.914213562,3.060660172,3.310660172,1,0.75,0,0,0,0.844887652,0.510110029,0.413832521,0.25,0.25,0,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,38,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,9.050347222,0,2.649305556,0,0,0,0,0,0,0,0,0,0.550347222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.227430556,0,1.309027778,0,0,0,0,0,0,0,0,0,0.550347222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.274305556,0,1.340277778,0,0,0,0,0,0,0,0,0,0.550347222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.25,1.75,0.2,2.274305556,0,0.550347222,5.321550347,0.699652778,0.274305556,2.100694444,0.699652778,0.274305556,2.100694444,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.57143,0,0.14286,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.77542,1.11077,7.77542,0,0,3.06066,0.43724,3.06066,0,0,0.35334,0.05048,0.35334,0.05048,0,6,0,0,0,0,0,0,1,0.886540893,1.306170652,2.098586412,2.608818477,2.499098392,1.799348487,20.39044053,30.04192499,48.26748748,60.00282497,57.47926302,41.38501519,0.195982923,0.288748262,0.463923437,0.576717751,0.55246251,0.397772486,3.637021063,3.217391304,2.424975544,1.914743479,2.024463564,2.724213469,0.19880132,0.292900702,0.470595043,0.585011432,0.560407381,0.403492786,6.634953582,11.67051069,14.97587471,14.53425805,13.21761703,8.188584212,27.76507516,21.21742031,19.25152915,20.07882979,17.58212912,14.60921646,7,2.34375,6,7,0,5,2.23,1.0949,2.121320344,3.746748298,0,3.039342743,1,0,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,2.855,8,4,3,0,0,0,0,0,0,28,1.945910149,2.197224577,1.609437912,1.386294361,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,3,0.666666667,0.375,0,0,0,0,0,0,0,0.5,0.083333333,0.09375,0,0,0,0,0,0,0,0.677083333,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,0,129.6283511,3.807354922,3.36729583,3.970291914,4.812184355,5.433722004,6.285998095,6.91274282,7.767687277,8.395929104,9.25157828,69.19742968,2.564949357,0,3.80666249,0,5.198497031,0,6.650279049,0,8.123557835,8.386628821,100.1252005,4.353269587,12.44898539,1.778426484,0,0,0,46,4,4.299,28,1.224818182,2.110039005,2.925391863,3.444940648,4.267175979,5.232313993,0,0,0,0,69.72220731,81.39693149,62.85969375,40.55503078,31.45493156,5.316365885,0,0,0,0,268.787596,337.4239973,370.6491673,256.7087877,337.1835545,162.6399109,0,0,0,0,8.893455721,14.97568724,20.72627454,23.66040965,29.64489348,35.1531132,0,0,0,0,2.059771149,2.735845826,3.339002704,2.578335402,3.53287855,2.326354323,0,0,0,0,176.6115071,329.9879212,457.3961271,597.3414425,711.3323912,967.5472182,0,0,0,0,2.530176136,3.592634557,5.157394396,4.556317719,6.712325108,5.232313993,0,0,0,0,0.427911136,0.575376064,0.713318333,0.5638878,0.77341134,0.535788953,0,0,0,0,362.9564459,140.4495827,8.674593963,142.8397749,-55.27326214,-8.668901582,220.116671,195.7228448,17.34349554,0.717594223,0.277680174,0.017150373,0.282405777,-0.109279706,-0.017139119,183.5819987,71.03886815,4.387576844,72.24781835,-27.9570071,-4.384697659,0.069842332,0.168646627,1.330292731,10.97867762,505.7962209,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,633.543587,25.17029176,8.588661762,1.463026135,1.205835205,343.0854036,339.6463059,121.6553363,1.010125527,2.820142659,2.791873469,3.897399416,3.220218461,6.42424645,0.994972244,4.462408855,5.691253305,2.782204597,20.12272941,4.123250571,6.332667077,7.623546394,9.21635197,4.238703442,6.841985068,1.605890969,1.126710556,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690852363,0.151666599,8.617090788,1.027190268,0.179954175,0.370290182,0.507237778,1.057461171,0.085333591,0.01131149,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690879785,0.543514798,10.47213388,1.254393886,0.812478757,1.174393029,1.732432441,1.432442169,0.597595505,0.117866056,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691209508,2.569833129,19.24377743,3.790518363,5.735472874,6.940204694,8.487722537,3.946884091,6.121662003,1.430820678,1.00387882,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690914767,0.855589699,11.89209407,1.530546132,1.431780082,1.927233873,2.737545153,1.771323486,1.206652169,0.256018195,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691437324,3.626803976,23.57532116,5.517793769,8.794203131,10.42536321,12.13607316,5.42939028,9.857235741,2.34203757,1.643201455,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.732087054,4.529584755,1.126305987,14.49598461,2.036862164,2.638297077,2.987885591,3.999831076,2.721530226,2.391882386,0.524377099,0.367905488,2.62E-15,3.60E-51,9.54E-109,4.88E-188,4.81E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.515230743,1.123595985,1.083373056,0.614314578,0.19635735,0.492756445,0.467591148,0.472182244,5.722199784,8.975279038,18.97647646,0.421471866,1.432529836,2.802221418,0.624749326,0.590249565,0.697552338,0.155517815,0.313039937,0.144485987,0.140160276,4.017220309,3.773453934,8.82401586,0.546328507,0.5976862,3.097542806,0.831377589,0.794500868,0.655783728,0.176011739,0.382546796,0.255927656,0.253946565,4.723421263,5.696758334,12.46620022,0.483675592,0.892421018,3.498754302,1.112069446,1.071978197,0.615674158,0.19569034,0.488144785,0.458041982,0.462301706,5.682801946,8.83356029,18.68727692,0.423511237,1.408488473,3.223872632,0.9197622,0.88187159,0.641502042,0.183018809,0.414408526,0.313265435,0.312870269,5.025506422,6.619350023,14.25977872,0.462253063,1.04054423,3.566456309,1.159431947,1.118799777,0.610204734,0.198373624,0.507232827,0.497909103,0.503568242,5.844688033,9.422386108,19.89338213,0.415307102,1.508710172,3.507982808,1.114254762,1.075002078,0.615733763,0.195578005,0.490732959,0.459857886,0.464913544,5.697239647,8.877701539,18.77689485,0.423600645,1.415504389 +UMLYSI0211,L,1-pentyne,CCCC#C,alkynes/alkadienes,C5H8,627-19-0,12309,PubChem,,47.3,0,0.5906,0.34880836,21.4399,14.134344,0,0,13,5,8,0,5,0,0,0,0,0,0,0,0,0,729.449117,673.913188,583.157739,419.759762,225.035161,50.46048,3.048192,0,0,2366.254464,2611.960538,2802.808824,2305.237412,1360.606555,521.1139543,93.25123329,0,0,91.450292,87.10312,141.625452,153.441992,103.99402,41.907456,20.155392,0,0,17.50140324,20.06395448,23.95229624,21.15937215,13.0270691,5.34340305,1.333838715,0,0,2113.312997,1732.157806,3142.441901,3633.99071,2524.870859,982.3254949,554.7529561,0,0,38.75,35,39.75,44,33,16,3,0,0,56.11147054,56.15943233,29.15788695,19.07998918,15.00234407,8.41008,1.016064,0,0,182.0195742,217.6633782,140.1404412,104.7835187,90.70710369,86.85232572,31.08374443,0,0,7.034637846,7.258593333,7.0812726,6.974636,6.932934667,6.984576,6.718464,0,0,1.346261788,1.671996207,1.197614812,0.961789643,0.868471273,0.890567175,0.444612905,0,0,162.5625382,144.3464838,157.122095,165.1813959,168.3247239,163.7209158,184.917652,0,0,2.980769231,2.916666667,1.9875,2,2.2,2.666666667,1,0,0,0.05332901,-0.006661749,-0.024194817,0.001489704,0.003675028,-0.009495527,0.008522856,0,0,372.5107969,-45.8474827,-116.7678075,-15.76007218,17.19280601,-78.80036089,53.72751879,0,0,692.6997337,-85.25535183,-217.1347242,-29.30652719,31.97075694,-146.532636,99.90861543,0,0,0.072972308,-0.008981207,-0.022874012,-0.00308729,0.003367953,-0.01543645,0.010524852,0,0,3.096690107,-0.38113109,-0.970693245,-0.131013812,0.142924159,-0.655069061,0.446637996,0,0,16.82126981,-2.070310131,-5.272821114,-0.711669107,0.776366299,-3.558345537,2.426144684,0,0,9.5,0.5,-0.75,-1,-0.75,-3.5,0.75,0,0,0.004102232,-5.55E-04,-0.001209741,6.77E-05,2.45E-04,-0.001582588,0.002840952,0,0,28.65467669,-3.820623558,-5.838390375,-0.716366917,1.146187067,-13.13339348,17.90917293,0,0,53.2845949,-7.104612653,-10.85673621,-1.332114872,2.131383796,-24.42210599,33.30287181,0,0,0.005613254,-7.48E-04,-0.001143701,-1.40E-04,2.25E-04,-0.002572742,0.003508284,0,0,0.238206931,-0.031760924,-0.048534662,-0.005955173,0.009528277,-0.109178177,0.148879332,0,0,1.293943832,-0.172525844,-0.263641056,-0.032348596,0.051757753,-0.593057589,0.808714895,0,0,0.730769231,0.041666667,-0.0375,-0.045454545,-0.05,-0.583333333,0.25,0,0,-0.135327747,-0.294898231,0.016506578,0.05972404,-0.385787057,0.692538206,0,0,-0.133333333,-0.20375,-0.025,0.04,-0.458333333,0.625,0,0,-0.133333333,-0.20375,-0.025,0.04,-0.458333333,0.625,0,0,-0.133333333,-0.20375,-0.025,0.04,-0.458333333,0.625,0,0,-0.133333333,-0.20375,-0.025,0.04,-0.458333333,0.625,0,0,-0.133333333,-0.20375,-0.025,0.04,-0.458333333,0.625,0,0,0.057017544,-0.051315789,-0.062200957,-0.068421053,-0.798245614,0.342105263,0,0,1.040869797,0.938169912,0.666110106,1.052134731,2.152561441,1.131450747,0,0,1.3,1.17,0.886363636,0.78,1.3,0,0,0,1.3,1.17,0.886363636,0.78,1.3,0,0,0,1.3,1.17,0.886363636,0.78,1.3,0,0,0,1.3,1.17,0.886363636,0.78,1.3,0,0,0,1.3,1.17,0.886363636,0.78,1.3,0,0,0,0.868421053,0.568421053,0.918660287,1.221052632,2.947368421,0,0,0,14.2798571,7.13992855,11.99630229,14.2798571,2.85597142,7.141940614,-6.22E-15,0.12520602,0.025041204,-1.038897367,15.36014644,3.072029289,1.365888131,14.2798571,7.13992855,11.99630229,14.2798571,2.85597142,7.141940614,-6.22E-15,0.12520602,0.025041204,-1.038897367,15.36014644,3.072029289,1.365888131,14.2798571,7.13992855,11.99630229,14.2798571,2.85597142,7.141940614,-6.22E-15,0.12520602,0.025041204,-1.038897367,15.36014644,3.072029289,1.365888131,14.2798571,7.13992855,11.99630229,14.2798571,2.85597142,7.141940614,-6.22E-15,0.12520602,0.025041204,-1.038897367,15.36014644,3.072029289,1.365888131,14.2798571,7.13992855,11.99630229,14.2798571,2.85597142,7.141940614,-6.22E-15,0.12520602,0.025041204,-1.038897367,15.36014644,3.072029289,1.365888131,14.2798571,7.13992855,11.99630229,14.2798571,2.85597142,7.141940614,-6.22E-15,0.12520602,0.025041204,-1.038897367,15.36014644,3.072029289,1.365888131,25.67198325,12.40941237,21.57149759,25.52964992,5.105929984,12.409422,-0.711666667,0.19311756,0.038623512,-0.822228077,10.83221409,2.166442819,1.19126224,0,11.69,12.31001948,-0.422988436,0.197184595,4.15748364,6.126508622,4,12,11,11,3,0,0,1,0,1,8.745656,3.42833906,2.908856087,2.10144711,1.350933801,0.309281281,0.083923071,0.083923071,0.083923071,1.80647554,1.388401423,0.951007342,0.617280752,0.083923071,0.083923071,0.083923071,0.083923071,3.450050581,2.941783353,2.167166292,1.458332046,0.443798835,0.270913902,0.270913902,0.270913902,1.745089029,1.317908457,0.84458216,0.469895853,0.270913902,0.270913902,0.270913902,0.270913902,3.552838548,3.084703122,2.44380719,1.890387511,0.956385838,0.943918427,0.943918427,0.943918427,1.574716933,1.112931003,0.496096958,0.031296391,0.943918427,0.943918427,0.943918427,0.943918427,3.466446751,2.965936895,2.215031531,1.535379614,0.538809426,0.399277246,0.399277246,0.399277246,1.706768499,1.273358481,0.773794906,0.370573349,0.399277246,0.399277246,0.399277246,0.399277246,3.606937517,3.153461107,2.569493416,2.077081704,1.207644823,1.207644823,1.207644823,1.207644823,1.525697431,1.048754552,0.375940858,0.21274295,1.161255439,1.207644823,1.207644823,1.207644823,3.600499733,2.979017168,2.183628182,1.469710498,0.596485671,0.434782609,0.434782609,0.434782609,1.842893758,1.21486347,0.660534616,0.371918973,0.434782609,0.434782609,0.434782609,0.434782609,1,1,0,0,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,3.491563832,1.849335306,0.954124145,0.394337567,0.144337567,0,0,0,0.698312766,0.462333827,0.318041382,0.197168784,0.144337567,0,0,0,7.167311215,12.55134741,11.90196078,12.04,8.194217964,98.85571497,0.551331632,0.965488263,0.915535445,0.926153846,0.630324459,7.604285767,1.49929,23.096,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,1,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,3,1,0,0,0,0,0,0,0,0,0,0,1,0,2,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.593194444,0,0,7.406388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.593194444,0,0,0,0,0.918611111,0.380555556,0,0,0,0,0,0,0,0,0,0,2.069305556,0,2.024305556,4.889027778,0,0,0,0,2.517361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.593194444,0,0,2.517361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.593194444,0,0,0,0,0.25125,0.380555556,0,0,0,0,0,0,0,0,0,0,2.069305556,0,0.916666667,4.889027778,0,0,0,0,2.517361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.593194444,0,0,4.889027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.593194444,0,0,0,0,0.380555556,0.380555556,0,0,0,0,0,0,0,0,0,0,2.069305556,0,1.107638889,4.889027778,0,0,0,0,2.517361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.5,2.3,0.593194444,4.889027778,0.25125,0.916666667,2.785675833,0.583333333,0.889027778,1.951388889,0.583333333,0.889027778,1.951388889,2.5,0.5,0,0,0.45385,0.7,0.41765,0.41765,0.7,0.0362,0.0362,0,0,0.71429,0,0,0.4,0,0,4,0.8,2,0.4,2,0.4,0,0,0,0,2.68766,0.53753,4.09272,1.40506,0.28101,1.67836,0.33567,2.41421,0.73585,0.14717,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4,0,0,0,0,0,0,1,0.961236605,2.188787068,3.026986833,3.026986833,2.742337624,1.757586942,12.49607586,28.45423188,39.35082883,39.35082883,35.65038912,22.84863024,0.259762806,0.591493778,0.818007335,0.818007335,0.741084258,0.474967051,2.739203113,1.51165265,0.673452885,0.673452885,0.958102094,1.942852776,0.252468347,0.574883906,0.795036684,0.795036684,0.720273702,0.461629393,6.796774065,17.85048395,18.69524266,18.69524266,15.27945215,8.029167937,19.35422196,12.19036817,11.95049569,11.95049569,10.24260044,5.995905397,5,4,4,5,2,5,2.01,0.7271,0.25,3.301927249,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.085,0.106,0.096,0.236,0.184,1.781,3,2,1,0,0,0,0,0,0,15,1.945910149,1.791759469,1.609437912,1.386294361,0,0,0,0,0,0,3.17805383,1.533333333,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,2,0.5,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,0,89.76346443,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,68.06260026,5.235584635,8.849873734,1.769974747,0,0,0,20,2,2.05,14,1.217416667,2.13608122,2.930249455,3.760185402,5.167638875,6.405252031,0,0,0,0,77.8223278,71.1087649,65.47579129,68.85693039,46.05341403,6.508146,0,0,0,0,287.0733919,324.4712798,334.7547045,381.4464483,468.3800715,199.0992172,0,0,0,0,8.866980453,15.18275823,20.50180038,26.18007264,36.18709469,43.03345518,0,0,0,0,2.155350518,2.711257775,2.98861213,3.526715494,4.758530317,2.847857712,0,0,0,0,173.8466182,331.5614811,479.3700157,624.666365,838.6166553,1184.444166,0,0,0,0,3.612020833,4.475352018,6.193781811,8.901482792,14.2117839,6.405252031,0,0,0,0,0.44612,0.572662284,0.639503403,0.759329918,1.035382787,0.655897808,0,0,0,0,289.901425,97.2217929,10.47230581,197.0886987,-66.09597262,-14.66266271,92.81272626,163.3177655,25.13496852,0.595292206,0.19963812,0.021504144,0.404707794,-0.135723435,-0.030108748,141.1791308,47.34605295,5.099909502,95.98024975,-32.18808588,-7.140571925,0.36772118,0.356779622,11.04698466,16.76303554,486.9901237,0,1,0,288.8316437,16.99504762,6.610204933,366.7410562,19.15048449,7.157914565,384.001137,19.59594695,7.268489545,2.277241688,2.144348193,233.5328273,221.1872943,22.37484759,1.055814838,10.43729243,9.885533005,3.112745853,3.772,6.524718549,0.729776922,2.408333322,2.811277053,1.490321311,5.030259825,2.146523334,2.576406631,0.207892139,3.824238394,1.120078283,1.985767941,1.014218224,1.881471677,3.09E-10,9.82E-42,6.01E-95,7.09E-170,1.61E-266,0,0,0,0,0,0,0,0,0,0,0,0,0,0.212348572,2.81113201,0.106882439,1.814892344,0.017917871,1.128887995,0.025779931,0.183228702,0.62801808,0.166651743,0.080280516,0.013251359,2.18E-12,6.92E-44,4.23E-97,4.99E-172,1.14E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0.660595876,2.811141984,0.357015381,2.097909385,0.164669809,1.418479356,0.062643109,0.682227668,0.728458058,0.537972141,0.262341734,0.138089376,2.27E-11,7.21E-43,4.41E-96,5.20E-171,1.18E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,2.273896709,2.811261229,1.39421692,4.701353324,1.914418109,2.485711117,0.196633761,3.514945429,1.08995471,1.874402951,0.954009542,1.676357391,2.76E-10,8.75E-42,5.35E-95,6.32E-170,1.44E-266,0,0,0,0,0,0,0,0,0,0,0,0,0,0.968303598,2.811154661,0.538301404,2.403034588,0.350846915,1.619020062,0.088040513,1.097285444,0.797406954,0.792871954,0.389867259,0.299948578,4.93E-11,1.57E-42,9.58E-96,1.13E-170,2.57E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,2.906091589,2.811343531,1.859109238,6.39800132,3.121483409,2.914572368,0.249701286,5.067503749,1.231612315,2.398102374,1.240588397,2.743949618,4.51E-10,1.43E-41,8.76E-95,1.03E-169,2.35E-266,0,0,0,0,0,0,0,0,0,0,0,0,0,0.990161195,1.58967524,0.52566883,1.801571487,0.417860577,2.300989105,0.100947832,1.114059702,1.287726313,1.501525853,0.371556886,0.355665723,5.85E-11,1.86E-42,1.14E-95,1.34E-170,3.05E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,3.742122713,0.657915944,0.382747858,0.78241475,0.137559128,0.402460696,0.528108889,0.461522569,4.782786515,4.146107568,9.871220149,0.673622124,1.392092154,3.38761278,0.255011784,0.073628913,0.911566663,0.068620665,0.332774947,0.078969093,0.017079069,3.716253478,1.132083667,4.911943777,0.867349994,0.428823109,3.518321557,0.404722913,0.188075034,0.855806199,0.098445913,0.357660553,0.199435252,0.111437075,4.111119504,2.161772072,6.540700146,0.783709299,0.66853288,3.732253008,0.646833896,0.374196942,0.785194642,0.136081479,0.400425433,0.51045316,0.441131301,4.753283846,4.052788685,9.70943924,0.677791963,1.352009894,3.580645742,0.47563152,0.242450548,0.832954749,0.110644717,0.369855363,0.275682848,0.185188386,4.29872781,2.686514622,7.398152196,0.749432123,0.830726597,3.773431206,0.693018961,0.409851995,0.773830472,0.142119774,0.408953905,0.58599765,0.529202044,4.876302161,4.445642884,10.39373235,0.660745709,1.524153599,3.792502915,0.641517998,0.371874339,0.789135575,0.133485639,0.413276015,0.502123978,0.43567218,4.805895251,4.081857472,9.792507697,0.683703363,1.351072173 +UMLYSI0212,L,2-octanol,CCCCCCC(C)O,saturated alcohols,C8H18O,123-96-6,20083,PubChem,,46.1,0,-1.8481,3.41547361,32.3179,26.884274,0,0,27,9,18,0,8,0,1,0,0,0,0,0,0,0,1428.370121,1423.960324,1628.321952,1349.460722,1099.328377,899.523456,702.766727,506.009998,144.307296,4164.033391,5299.883923,6897.857109,6798.61565,5648.626008,4548.57643,3541.778085,2534.97974,1391.118395,194.608196,193.288408,355.096464,475.38536,423.998572,340.95828,278.07338,215.18848,152.140032,30.95743629,40.32666126,57.13037493,60.47253764,51.84545084,41.49008327,32.46855441,23.44702555,14.28985608,4528.323871,3829.171409,7727.285126,11025.23954,10132.03257,8098.324457,6619.369302,5140.414147,3661.504836,75.02777778,59,96.75,122.1666667,96.91666667,81.66666667,69.33333333,60,43,52.90259707,54.76770477,33.23106024,20.44637458,18.32213962,18.740072,18.01965967,16.86699993,6.871776,154.2234589,203.8416894,140.7725941,103.009328,94.1437668,94.76200895,90.81482268,84.49932466,66.24373311,7.207710963,7.434169538,7.246866612,7.202808485,7.066642867,7.1032975,7.130086667,7.172949333,7.244763429,1.146571714,1.551025433,1.165926019,0.91625057,0.864090847,0.864376735,0.832527036,0.781567518,0.680469337,167.7156989,147.2758234,157.6996964,167.0490839,168.8672095,168.7150929,169.727418,171.3471382,174.3573732,2.778806584,2.269230769,1.974489796,1.851010101,1.615277778,1.701388889,1.777777778,2,2.047619048,0.233413819,-0.110044731,0.004154272,-0.031894362,0.018033509,-3.18E-04,0.001407756,0.011497773,-0.029337253,800.2177743,-66.87771673,-207.1675175,-207.3956822,49.64829538,5.780794733,5.584447276,5.388099819,-159.7542206,1266.51806,-76.37381503,-471.3286346,-216.6419216,54.48025273,-14.60598486,-15.03127714,-15.45656942,-152.9448612,1.122666963,-0.081912483,-0.010208192,-0.280024724,0.015229119,-0.016605564,-0.026784132,-0.0369627,-0.210689267,5.603020215,-0.228978216,-2.374862805,-0.5703317,0.120263706,-0.163110602,-0.172412133,-0.181713664,-0.326655804,30.80423065,-1.077902146,-13.36081413,-2.508507675,0.437111822,-1.068345989,-1.136975434,-1.20560488,-1.228390355,24.77983539,-3.567825027,1.95511355,-6.0173754,-0.143461363,-0.892546868,-1.327046182,1.238454504,-5.226909008,0.008644956,-0.00423249,8.48E-05,-4.83E-04,3.01E-04,-6.62E-06,3.61E-05,3.83E-04,-0.001397012,29.63769534,-2.572219874,-4.227908521,-3.142358821,0.82747159,0.120433224,0.143190956,0.179603327,-7.60734384,46.90807629,-2.937454424,-9.618951727,-3.282453358,0.908004212,-0.304291351,-0.385417363,-0.515218981,-7.283088629,0.041580258,-0.00315048,-2.08E-04,-0.004242799,2.54E-04,-3.46E-04,-6.87E-04,-0.00123209,-0.010032822,0.207519267,-0.008806854,-0.048466588,-0.008641389,0.002004395,-0.003398138,-0.004420824,-0.006057122,-0.015555038,1.140897431,-0.041457775,-0.272669676,-0.038007692,0.007285197,-0.022257208,-0.029153216,-0.040186829,-0.058494779,0.917771681,-0.137224039,0.039900277,-0.091172355,-0.002391023,-0.018594726,-0.034026825,0.041281817,-0.248900429,-0.489590635,0.009806998,-0.055899404,0.034766918,-7.66E-04,0.004175419,0.044333261,-0.161598511,-0.086788795,-0.14265308,-0.106025748,0.027919566,0.004063515,0.00483138,0.006059963,-0.256677982,-0.062621507,-0.205059608,-0.069976294,0.019357098,-0.006486971,-0.008216439,-0.010983588,-0.155263,-0.075768652,-0.005010321,-0.102038782,0.006104307,-0.008320036,-0.016516795,-0.02963161,-0.24128812,-0.042438731,-0.233552231,-0.041641383,0.009658839,-0.016375046,-0.021303197,-0.02918824,-0.07495708,-0.036337863,-0.238995784,-0.033313855,0.006385497,-0.019508509,-0.025552881,-0.035223876,-0.051270848,-0.149518712,0.043475166,-0.099340998,-0.002605248,-0.020260732,-0.03707548,0.044980487,-0.271200816,1.434302811,0.739705314,1.090403683,0.776850675,0.82804015,0.978939786,1.199853718,1.862499309,1.436331741,1.249070292,1.085090572,0.847157192,0.895047552,0.899875218,0.907599483,1.177148605,1.557444022,1.399522649,1.015569229,0.881733733,0.909601391,0.882505374,0.839151747,0.892624941,1.049055543,0.818731327,1.246385549,0.695141622,0.846041938,1.013116122,1.280434816,1.957247193,1.595649943,1.454203437,0.98496039,0.886745452,0.913841589,0.885232445,0.839457815,0.784420194,1.598755806,1.461212418,0.979390338,0.885059073,0.914061655,0.888368576,0.84725965,0.769071924,1.132192975,0.754215761,1.240011172,0.690749813,0.852507681,1.038030391,1.229942705,2.048516625,51.39171194,25.82085597,41.25930029,51.58615638,5.731795154,25.82085597,0.25,0.087189818,0.009687758,-2.195700948,42.36888541,4.707653934,3.371772832,51.39506416,25.82216487,41.26088817,51.58893739,5.732104154,25.82216487,0.249265579,0.087135583,0.009681731,-2.196260958,42.37322947,4.708136607,3.371865104,54.42804416,27.01452484,42.73913749,54.11771513,6.013079458,27.01452484,-0.398994478,0.035663627,0.003962625,-3.000261572,48.66416634,5.407129593,3.49644866,51.39858256,25.82353868,41.26255488,51.5918563,5.732428477,25.82353868,0.2484948,0.087078653,0.009675406,-2.196849158,42.37779285,4.70864365,3.371962024,57.75707484,28.33739029,44.47077492,56.91529041,6.323921156,28.33739029,-1.082294264,0.027874417,0.003097157,-3.222041375,85.12119801,9.45791089,3.99966849,51.74368251,25.95840835,41.42655177,51.87834243,5.76426027,25.95840835,0.173134186,0.081467676,0.009051964,-2.256794055,42.84602026,4.760668918,3.381851488,55.81306223,28.19559362,45.79828263,56.26271501,6.251412779,28.19559362,0.578125,0.091553976,0.010172664,-2.151743919,43.06273541,4.784748379,3.386392214,0,11.99629191,15.99794303,-0.418492547,0.07760708,4.556740473,7.288096518,8,26,26,26,8,0,0,0,0,0,19.677726,3.512058667,3.286779778,2.89365603,2.402727765,2.119001678,1.841927771,1.425110494,1.152984333,1.908283283,1.736185916,1.498581069,1.216813549,0.934892274,0.727277674,0.606375587,0.521931341,3.524068651,3.290975761,2.916646177,2.461988069,2.058398455,1.79854212,1.493841935,1.265792194,1.855036726,1.68308568,1.420315733,1.110085649,0.846015769,0.680556304,0.498357081,0.371914763,3.657958362,3.456205997,3.122251092,2.720540487,2.441210042,2.232331753,1.937859836,1.750596984,1.670336566,1.460351101,1.144020914,0.770197481,0.419641776,0.175520742,0.020932737,0.170820169,3.541360195,3.307844485,2.943869621,2.506117203,2.095520628,1.807139964,1.548698919,1.348543215,1.822272395,1.649453777,1.370191204,1.039826273,0.8074447,0.633804789,0.40845564,0.267734395,3.713467454,3.518463219,3.208618477,2.840513563,2.545692122,2.355341071,2.113595498,1.951823604,1.616490586,1.399386987,1.060705973,0.656397579,0.293627778,0.055538508,0.187025847,0.36738013,4.405479391,3.50673565,3.218833846,2.961808596,2.626583443,2.142937968,1.746717578,1.508173069,1.774429506,1.526411902,1.208961717,0.888153621,0.569969875,0.300105345,0.124808872,0.038380713,0,0,0,0,0,2,6,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.182574186,0,0,0,0.288675135,0.204124145,0.144337567,0.129099445,0.091287093,0.064549722,7.112884175,4.27005561,3.243182156,1.635027805,0.979362553,0.567513903,0.306186218,0.204124145,0.790320464,0.533756951,0.40539777,0.272504634,0.195872511,0.141878476,0.102062073,0.102062073,6.560097771,3.950904231,2.698356672,1.475452115,0.866525501,0.487726058,0.249767692,0.147705619,0.728899752,0.493863029,0.337294584,0.245908686,0.1733051,0.121931514,0.083255897,0.07385281,13.59124934,26.32119446,24.87843137,25.24,15.66722994,208.6661222,0.503379605,0.974859054,0.921423384,0.934814815,0.580267776,7.728374895,2.3376,40.4398,26.27222476,41.81111968,52.54444952,5.838272169,26.27222476,0.068226739,0.007580749,-2.41642685,44.11417306,4.901574784,3.408103004,87,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561466837,0,8.851697846,0,0,0,0,0,0,0,0,0,0,0.561466837,0,0,0,0,0,0,0,0,0,0,0,0,0,2.238533163,0,0,0,0,0,0,0,0,0,0,0,4.049920635,0,6.027218443,0,0,0,-0.09550359,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.851697846,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561466837,0,8.851697846,0,0,0,0,0,0,0,0,0,0,0.561466837,0,0,0,0,0,0,0,0,0,0,0,0,0,0.215625,0,0,0,0,0,0,0,0,0,0,0,1.853120748,0,0.972222222,0,0,0,-0.09550359,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.851697846,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561466837,0,8.851697846,0,0,0,0,0,0,0,0,0,0,0.561466837,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.196799887,0,1.312222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.851697846,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.83333333,2.092592593,0.561466837,8.851697846,0.215625,-0.09550359,4.614095978,1.428836924,2.851697846,6.096995465,1.428836924,2.851697846,6.096995465,4.33333,0.48148,0,0.01852,0.46173,0.78519,0.42414,0.46173,0.73667,0.03759,0,-0.03759,0.04852,0.61321,0.10108,0,0.30769,0.11538,0,4.25,0.47222,4.25,0.47222,0,0,-4.25,-0.47222,0,0,8.94612,0.99401,9.8423,0.89618,0.09958,3.97593,0.44177,4.27005,0.29412,0.03268,0.14395,0.01599,0.14395,0.01599,0,8.01,1,1,1,1,1,1,1,1.086048612,1.677239029,2.774000708,3.503982409,3.133612039,2.395059472,29.32331253,45.28545378,74.8980191,94.60752505,84.60752505,64.66660575,0.228406794,0.352740002,0.583399861,0.736922253,0.65902969,0.503704761,3.66883889,3.077648473,1.980886795,1.250905093,1.621275463,2.35982803,0.231052556,0.356825984,0.590157703,0.745458429,0.666663595,0.509539451,9.449442117,14.27535676,18.98562634,19.72132017,14.96954774,15.81302936,33.3868056,26.63963891,21.58461818,19.50320371,27.23263937,25.98394997,9,6.125,8,9,0,8,2.23,1.2945,0.142857143,3.20884416,0.816496581,0,5.676240019,1.919259748,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,4.388,8,6,5,4,3,2,0,0,0,45,2.197224577,2.197224577,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,3.828641396,1,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.625,8,1,0,4,7,0.75,1.5,0.444444444,0.25,0.16,0.111111111,0.081632653,0,0,0,0,0.1875,0.055555556,0.041666667,0.032,0.027777778,0.027210884,0,0,0,0,0.371710884,26.27222476,41.81111968,52.54444952,5.838272169,26.27222476,0.068226739,0.007580749,-2.41642685,44.11417306,4.901574784,3.408103004,20.23,155.7145624,4.169925001,3.496507561,4.110873864,4.795790546,5.433722004,6.124683391,6.771935556,7.463363046,8.115221973,8.805824813,72.11792275,2.833213344,0,3.891820298,0,5.081404365,0,6.329720906,0,7.609366538,7.940939762,130.1357652,4.819843155,16.66375611,1.851528457,2.377773399,2.377773399,0,114,6,3.018,32,1.227923077,2.12836763,2.85447276,3.535607018,4.792925086,5.792958654,7.009921169,8.020857677,8.914054774,0,78.91090558,79.25609825,68.6806288,82.75215271,105.8233435,122.3407939,131.9902016,57.74959689,9.05725015,0,276.4511081,320.994461,320.4982449,389.7973042,502.2427543,582.0202803,634.3745122,552.1738415,277.0822004,0,9.155826991,15.49897576,20.62276172,25.1237979,34.17671342,41.44155384,50.42588031,58.16924857,59.88875609,0,2.045513112,2.604009845,2.766381175,3.426072183,4.445504228,5.187438854,5.748517355,5.629594368,3.963303787,0,178.400665,332.276207,473.6375452,584.5557191,799.2635456,970.5205043,1191.545544,1390.265607,1648.366079,0,2.837935897,4.373075254,5.403538322,5.964002312,8.408583622,10.59360157,14.43910253,16.60383773,8.914054774,0,0.438605158,0.574675516,0.620837553,0.757831285,0.995249349,1.176755728,1.339736967,1.340550277,0.912799209,0,411.9021322,303.826702,13.16586902,187.1757631,-138.064337,-20.85913005,224.7263692,441.891039,34.02499907,0.687560225,0.507157257,0.02197689,0.312439775,-0.230461411,-0.034818728,246.7614625,182.0158612,7.887381102,112.1328622,-82.71129241,-12.49624373,0.28484274,0.532460144,3.320787655,15.77041478,557.8015566,41.27633868,0.931100214,0.068899786,532.2508829,23.07056313,8.104112543,714.9614284,26.73876266,8.941853238,878.2597041,29.63544675,9.576518509,2.648885856,2.648885856,1169.563043,1120.416307,90.21397294,1.043864709,12.96432254,12.4195429,4.868192107,5.645455692,10.06558281,0.782953115,5.455646818,7.022401722,3.874985496,26.66622005,12.87780041,1.47818137,4.411049683,10.80400365,13.11858087,1.431255794,2.829249775,12.46981463,5.638306209,4.793473552,2.573672215,1.283661724,0.142773617,0.63522528,2.008139858,1.27E-08,2.41E-38,8.76E-90,6.16E-163,8.34E-258,0,0,0,0,0,0,0.477759684,7.149147227,0.293010937,7.225489182,0.373417472,0.023344531,0.636022747,0.464407788,4.331041817,0.071480798,0.042604689,1.665476791,0.277786237,2.503232066,0.135292233,0.084565776,0.002820634,0.053296814,0.014143493,8.97E-11,1.69E-40,6.17E-92,4.34E-165,5.88E-260,0,0,0,0,0,0,1.422817417,6.912931885,0.875816825,8.378671491,1.274235303,0.125138115,1.378362148,1.711038498,5.448277044,0.228204775,0.263936226,2.687422137,0.905433431,2.711454368,0.458871745,0.253088229,0.012173464,0.172057337,0.147386104,9.35E-10,1.77E-39,6.43E-91,4.52E-164,6.12E-259,0,0,0,0,0,0,5.372643628,7.148922953,3.815112014,25.25172376,11.72889985,1.358275555,4.170678983,10.03477496,12.75298669,1.385476211,2.535725691,11.83224262,5.423799707,4.779620458,2.434859188,1.257230893,0.127408321,0.599591729,1.78921646,1.13E-08,2.14E-38,7.81E-90,5.49E-163,7.43E-258,0,0,0,0,0,0,2.030070267,6.823185908,1.266219608,9.915969281,2.350875202,0.24328015,1.896372203,2.780778598,6.320902603,0.351334702,0.519048025,3.752327879,1.404157205,2.942530645,0.714433786,0.372661674,0.024299088,0.253589686,0.320142313,2.03E-09,3.84E-39,1.40E-90,9.82E-164,1.33E-258,0,0,0,0,0,0,6.769113832,7.102695688,4.995367029,35.55149541,18.49466443,2.151817845,5.314097871,14.66780216,16.32732788,1.966924105,4.055612477,16.42455213,7.723630507,5.473400983,3.442983454,1.704981426,0.207382411,0.767169714,2.928683254,1.86E-08,3.51E-38,1.28E-89,8.98E-163,1.22E-257,0,0,0,0,0,0,4.736317915,7.332919645,3.187734333,18.99391365,6.55720535,0.792477676,2.773519091,5.995329441,10.78713302,1.100845975,1.154488193,9.34288083,4.234774233,5.897278626,1.606073755,1.175183385,0.057614758,0.493628139,0.780359965,4.95E-09,9.35E-39,3.41E-90,2.39E-163,3.24E-258,0,0,0,0,0,0,9.440632185,0.830123504,0.569209782,0.870909802,0.076579903,0.556068997,0.497543472,0.47026615,10.83996547,13.68310528,28.98390557,0.806364703,1.523878619,8.538840236,0.54970788,0.157796975,0.923482755,0.05945137,0.461355622,0.197609163,0.031431947,9.246345092,6.128013169,16.1150364,0.885224132,0.690396732,8.866855734,0.598727116,0.325409205,0.905613617,0.061150812,0.491545082,0.26002694,0.15286269,9.790992056,8.389014759,19.90754798,0.858420426,0.904434712,9.412452792,0.843426894,0.55472985,0.870668093,0.07801844,0.553291734,0.503095859,0.428106361,10.81060954,13.62795842,28.84241059,0.80600214,1.484493954,9.037200537,0.63621195,0.400085089,0.897126392,0.063157006,0.509602016,0.305979128,0.246274359,10.07349758,9.619763078,21.99357987,0.845689588,1.061855502,9.510832361,0.865833293,0.598308906,0.866592657,0.078891599,0.564395998,0.536679502,0.512715256,10.97497456,14.44324678,30.34517272,0.799888985,1.613790756,9.447746066,0.845211756,0.556138398,0.870832544,0.07790619,0.557411752,0.504624113,0.429588207,10.84909622,13.70965511,28.99970889,0.806248817,1.491624072 +UMLYSI0213,L,"2,2-dimethyl-3-pentanol",CCC(C(C)(C)C)O,saturated alcohols,C7H16O,3970-62-5,19871,PubChem,,46,0,0.8088,0.65415744,33.8996,23.790688,0,0,24,8,16,0,7,0,1,0,0,0,0,0,0,0,1282.073872,1255.482027,1797.811442,1847.180344,934.330827,248.409504,27.433728,0,0,3678.349,4646.893789,6659.692237,7708.757999,6053.353355,2997.771428,839.2610996,0,0,173.630752,171.512628,312.438104,420.176128,568.320492,329.671296,181.398528,0,0,27.27931048,35.31067264,52.46195764,63.8986959,57.51101975,33.38218473,12.00454843,0,0,4031.694211,3396.131957,6819.483665,8973.834973,13552.91417,8303.73542,4992.776605,0,0,73.59027778,56.5,86.54166667,145.75,162.25,66,27,0,0,53.41974467,54.58617509,41.80956842,32.4066727,11.97860035,5.175198,1.016064,0,0,153.2645417,202.0388604,154.8765637,135.2413684,77.60709429,62.45357141,31.08374443,0,0,7.234614667,7.457070783,7.266002419,7.371511018,7.286160154,6.868152,6.718464,0,0,1.136637937,1.535246636,1.220045526,1.121029753,0.737320766,0.695462182,0.444612905,0,0,167.9872588,147.6579112,158.5926434,157.4357013,173.7553099,172.9944879,184.917652,0,0,3.066261574,2.456521739,2.012596899,2.557017544,2.080128205,1.375,1,0,0,0.228154416,-0.118845514,0.001561063,0.064391956,-0.122072866,0.046157311,0.014730843,0,0,719.4334713,-66.68627803,197.2312645,-472.1716057,-361.1549415,-53.78868167,396.8535067,0,0,1116.273633,-77.08945916,276.9712059,-1090.835828,-79.54631958,-198.5851275,610.9487115,0,0,1.103039333,-0.085166694,0.066547194,-0.05250775,-0.8295245,0.134463333,0.21466875,0,0,4.928582618,-0.238116022,0.956210888,-5.563449913,1.095683225,-1.116121334,2.401501848,0,0,27.13388615,-1.139693072,4.707261746,-31.42053917,8.156413852,-6.397134421,12.526748,0,0,25.18721065,-5.517662519,0.953643422,3.662145544,-17.36798322,0.910300926,4.765950521,0,0,0.009506434,-0.005167196,3.63E-05,0.001129683,-0.001565037,9.62E-04,5.46E-04,0,0,29.97639464,-2.899403393,4.586773594,-8.283712382,-4.630191558,-1.120597535,14.69827803,0,0,46.51140137,-3.351715616,6.441190834,-19.13747066,-1.01982461,-4.137190157,22.62773006,0,0,0.045959972,-0.0037029,0.001547609,-9.21E-04,-0.010634929,0.002801319,0.007950694,0,0,0.205357609,-0.010352871,0.022237463,-0.097604384,0.014047221,-0.023252528,0.088944513,0,0,1.130578589,-0.049551873,0.109471203,-0.551237529,0.104569408,-0.133273634,0.463953629,0,0,1.04946711,-0.23989837,0.022177754,0.064248167,-0.222666452,0.018964603,0.176516686,0,0,-0.543547274,0.003818864,0.118833564,-0.164629212,0.101153667,0.057391318,0,0,-0.096722886,0.153012851,-0.276341184,-0.154461256,-0.037382666,0.490328414,0,0,-0.072062237,0.138486277,-0.411457623,-0.021926336,-0.088950022,0.486498566,0,0,-0.080567929,0.033672979,-0.02004328,-0.231395472,0.060951287,0.172991716,0,0,-0.050413864,0.108286528,-0.475289836,0.068403703,-0.113229444,0.433120123,0,0,-0.043828773,0.096827593,-0.487571173,0.092491941,-0.117880911,0.410368314,0,0,-0.228590651,0.021132395,0.061219801,-0.212170967,0.018070697,0.168196492,0,0,1.478874267,0.71608513,0.997946385,1.626337701,0.572011752,1.42E-05,0,0,1.429336028,0.950460857,1.434028661,1.098486338,0.725705968,0,0,0,1.565389987,1.061303145,1.601264394,0.786418673,0.869734751,0,0,0,1.046221984,0.782506494,1.180623834,1.878755561,0.092721308,0,0,0,1.609800468,1.12038763,1.690409407,0.668908474,0.88061925,0,0,0,1.613537024,1.133382,1.710014947,0.653540815,0.868878893,0,0,0,1.218100566,0.781614637,1.114084164,1.828884661,0.171217848,0,0,0,31.56142968,15.90571484,22.83578998,31.74892968,3.96861621,15.9057152,0.25,0.099912629,0.012489079,-1.842767348,30.87141503,3.858926878,2.743864541,31.56451972,15.90689265,22.8370315,31.7514689,3.968933613,15.90689301,0.249265579,0.099928851,0.012491106,-1.842637466,30.86979459,3.858724324,2.743822548,34.39779303,16.99939928,24.01592786,34.09854717,4.262318397,16.99939939,-0.398994478,0.123646097,0.015455762,-1.672265477,29.67185307,3.708981633,2.712159111,31.56776307,15.90812894,22.8383347,31.75413417,3.969266771,15.9081293,0.2484948,0.099945895,0.012493237,-1.842501033,30.86809424,3.85851178,2.743778481,37.55784211,18.23777392,25.52751458,36.74612141,4.593265176,18.23777395,-1.082294264,0.195205884,0.024400735,-1.306960371,31.77229248,3.971536559,2.766875683,31.88650241,16.0298183,22.96685151,32.01635305,4.002044131,16.02981861,0.173134186,0.10170491,0.012713114,-1.82854376,30.70343944,3.837929931,2.739499746,41.57687712,21.00520443,31.72735515,41.90202593,5.237753241,21.00520444,0.433531746,0.069372715,0.008671589,-2.134609313,25.91306013,3.239132517,2.603797675,0,11.89,15.99491639,-0.391967063,0.077693631,5.210491028,8.825257019,7,23,23,23,7,0,0,0,0,0,17.491312,3.601454277,3.060822465,2.472460824,2.333552793,2.333552793,1.687841477,1.140831816,0.402099661,1.919349152,1.632862138,1.249629723,1.249629723,1.074538756,0.656935197,0.33018095,0.083923071,3.599089445,3.091086403,2.405454588,2.405454588,2.377466091,1.639559552,1.144989379,0.519612211,1.880028756,1.554250628,1.134540686,1.134540686,1.043612498,0.59785954,0.226683047,0.270913902,3.715767329,3.273990576,2.721901527,2.704236987,2.704236987,2.110020304,1.650441805,0.96261484,1.714880187,1.302317202,0.76031856,0.76031856,0.649482313,0.070589163,0.352787401,0.943918427,3.609222689,3.118763842,2.457539916,2.457539916,2.383020446,1.665668528,1.173185321,0.602521537,1.856108639,1.504012422,1.058262671,1.058262671,1.028730207,0.54411809,0.142787258,0.399277246,3.758691164,3.356513297,2.838982085,2.838982085,2.79530373,2.245713226,1.822426745,1.207644823,1.672897542,1.223770257,0.631337262,0.631337262,0.561914091,0.069640383,0.519601804,1.138301729,4.197538519,3.433123805,3.136753723,2.625069193,2.625069193,2.129501155,1.456717479,0.627784429,1.828153952,1.413272607,0.887138158,0.887138158,0.740601089,0.232094389,0.28787534,0.579310345,0,0,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,0,0,1.570149549,0.288675135,0.612372436,0.204124145,1.457312497,0.288675135,0.273861279,0.091287093,2.29489442,1.717544151,0.816496581,1.364819142,1.219457305,0.477985424,6.78445705,3.481380475,3.675321265,2.090770275,0.612372436,0,0,0,0.848057131,0.497340068,0.367532126,0.261346284,0.204124145,0,0,0,6.231670646,3.162229096,3.29007147,1.386369101,0.612372436,0,0,0,0.778958831,0.451747014,0.329007147,0.173296138,0.204124145,0,0,0,12.04942153,23.43335761,22.15294118,22.48,13.86867545,185.6378671,0.502059231,0.9763899,0.923039216,0.936666667,0.577861477,7.734911128,1.8034,35.7528,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,43,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,4,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.477777778,0,9.194444444,0,0,0,0,0,0,0,0,0,0,0.477777778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.811111111,0,0,0,0,0,0,0,0,0,0,0,8.124421296,0,0.850694444,0,0,0,-0.150462963,0,0,0,0,0,0.064236111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.194444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.477777778,0,9.194444444,0,0,0,0,0,0,0,0,0,0,0.477777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.995949074,0,0.850694444,0,0,0,-0.150462963,0,0,0,0,0,0.064236111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.194444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.477777778,0,9.194444444,0,0,0,0,0,0,0,0,0,0,0.477777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.042824074,0,0.850694444,0,0,0,0,0,0,0,0,0,0.064236111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.194444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.08333333,2.260416667,0.477777778,9.194444444,0.111111111,-0.150462963,3.87157581,1.483796296,3.194444444,6.645833333,1.483796296,3.194444444,6.645833333,3.83333,0.47917,0,0.02083,0.46528,0.79583,0.42308,0.46528,0.74074,0.0422,0,-0.0422,0.05509,0.60209,0.1122,0,0.6087,0.13043,0.13043,3.75,0.46875,3.75,0.46875,0,0,-3.75,-0.46875,0,0,8.86951,1.10869,9.87351,1.004,0.1255,3.20867,0.40108,3.48137,0.2727,0.03409,0.43263,0.05408,0.43263,0.05408,0,7.01,1,1,1,1,1,1,1,1.099483982,1.809822545,2.511027604,2.916666667,2.725626562,1.961466146,26.38761556,43.43574108,60.26466251,70,65.4150375,47.0751875,0.239802175,0.394730065,0.547665898,0.636137518,0.594470852,0.427804185,3.485478519,2.775139956,2.073934896,1.668295834,1.859335938,2.623496355,0.243057129,0.400087931,0.555099638,0.644772128,0.602539899,0.433610983,9.670323248,15.72268506,17.91566225,18.32447545,16.0319942,8.198826545,29.54361368,21.85485693,19.84285729,19.74360885,18.59736823,14.58552604,8,2.52,2.8125,8,0,5,2.12,1.1536,2.121320344,1.754765351,2,3.039342743,0,1,0.5,0,1,0,0,0,0,0,0,0,0,0,0,0.348,0.454,0.442,0.331,0.169,3.477,10,8,3,0,0,0,0,0,0,36,2.079441542,2.397895273,2.197224577,1.386294361,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,7,1,0,2,4,1,3.5,1.555555556,0.375,0,0,0,0,0,0,0,0.5,0.155555556,0.046875,0,0,0,0,0,0,0,0.702430556,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,20.23,138.4185778,4,3.555348061,4.262679877,5.093750201,5.837730447,6.665683718,7.418780883,8.245121966,9.000976444,9.826552511,74.90662411,2.708050201,0,4.007333185,0,5.493061443,0,7.041411664,0,8.611593867,8.847216104,116.1201151,4.83833813,14.27506506,1.784383133,2.396385863,2.396385863,0,63,8,1.792,34,1.225086957,2.121718215,2.929672297,3.448427897,4.130328541,5.232313993,0,0,0,0,78.47908308,100.9716044,101.345326,47.63736593,24.53608389,5.316365885,0,0,0,0,273.3612548,359.4621634,410.7529021,286.8308488,281.793887,162.6399109,0,0,0,0,9.161889003,15.51503402,21.66067546,25.17058927,28.48148257,35.1531132,0,0,0,0,2.019873764,2.765450347,3.361622669,2.663582807,3.063125152,2.326354323,0,0,0,0,178.4547259,331.8400488,459.3476542,595.643292,705.4628271,967.5472182,0,0,0,0,3.042557971,4.501655167,7.67267982,7.294780104,5.964190387,5.232313993,0,0,0,0,0.435339417,0.607448099,0.768961582,0.626164003,0.675285033,0.535788953,0,0,0,0,344.4741291,230.5333869,12.35570336,153.0605376,-102.4331326,-15.74645047,191.4135916,332.9665195,28.10215383,0.692362065,0.463351405,0.024833854,0.307637935,-0.205881398,-0.031648951,171.387821,114.6983518,6.147390752,76.15292354,-50.96403447,-7.834404987,0.314007363,0.585669198,5.855887741,13.77701409,455.3622378,42.1724289,0.915237205,0.084762795,470.1693138,21.68338797,7.77591361,633.5057871,25.16954086,8.588490946,882.2908783,29.7033816,9.591148084,1.463026135,1.205835205,398.1567951,349.5209357,169.995774,1.139150061,2.342157019,2.056056616,3.94148984,3.220218461,6.42424645,0.994972244,4.897845711,6.073950946,3.853427531,23.92808304,5.206784104,5.969822468,9.040430782,9.572464827,5.103966045,6.841985068,1.605890969,1.126710556,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.430947302,6.200672493,0.258745439,9.889948178,1.703897864,0.131932869,0.418799263,0.545013424,1.063555286,0.085333591,0.01131149,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.271701343,5.964458673,0.786590185,11.66673572,1.825471167,0.633493538,1.322299607,1.799397125,1.495947548,0.597595505,0.117866056,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.846124884,6.200469519,3.772414597,23.94439852,5.007453531,5.414145493,8.334391494,8.927260569,4.717817492,6.121662003,1.430820678,1.00387882,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.807352978,5.874714741,1.156353257,12.9954537,2.096456972,1.172030566,2.165254609,2.805871113,1.909265656,1.206652169,0.256018195,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.095488213,6.154256106,5.075195627,28.76001245,6.725436,8.481085572,12.49204012,12.65535692,6.691294467,9.857235742,2.34203757,1.643201455,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,4.090368065,5.537076082,2.589032255,22.00753018,4.200645345,2.529035132,4.153082458,4.792650921,3.087507233,2.458320404,0.538942437,0.378124598,2.69E-15,3.70E-51,9.81E-109,5.01E-188,4.94E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.446911923,1.250130979,1.059562679,0.598775072,0.217164605,0.507971707,0.477178179,0.459145794,5.756605581,9.285902739,19.60826073,0.398162608,1.44429568,2.488407991,0.973018213,0.523182352,0.624505006,0.244194179,0.268503209,0.304291562,0.114817565,3.984608556,4.232223399,9.483595751,0.436757509,0.687612336,2.971057942,0.987995912,0.766987554,0.628656773,0.209053588,0.377279549,0.301252875,0.244745084,4.726041408,5.971938132,12.94938951,0.44298516,0.923277507,3.382372884,1.266433118,1.033447216,0.595252051,0.222875164,0.490032818,0.494088004,0.439294272,5.682253218,9.087844659,19.1969197,0.392878077,1.423415094,3.169130979,1.023890708,0.871686262,0.625728277,0.202161846,0.428347643,0.317702301,0.312948917,5.064707949,6.899843163,14.79303684,0.438592416,1.058998861,3.492065247,1.29142185,1.09118139,0.594427627,0.21982889,0.521669853,0.51029197,0.486727954,5.874668487,9.729381463,20.52498271,0.39164144,1.518689776,3.396035174,1.267512917,1.037246522,0.595712599,0.222339692,0.493936301,0.494547523,0.442320409,5.700794613,9.141767487,19.30740889,0.393568898,1.430804233 +UMLYSI0214,L,2-ethyl-1-butene,CCC(=C)CC,alkenes,C6H12,760-21-4,12970,PubChem,,45.6,0,1.1257,1.26720049,29.6281,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,924.178589,807.176836,398.598649,97.028064,9.144576,0,0,2914.106344,3494.423905,4233.124071,4132.331635,3091.254162,1434.429565,279.7536999,0,0,125.864664,123.114164,212.050868,238.901008,230.514724,203.948928,60.466176,0,0,22.06875486,27.30703172,35.7627251,36.53475244,30.39514106,17.35197558,4.001516144,0,0,2979.777961,2471.442353,4748.191412,5482.395107,5408.257135,5356.758935,1664.258868,0,0,36.27777778,40,53.91666667,64,59,36,9,0,0,48.76541633,50.97680359,30.80595297,23.74049518,12.07874694,3.2342688,1.016064,0,0,161.8947969,205.5543474,141.1041357,121.5391657,93.67436856,47.81431882,31.08374443,0,0,6.992481333,7.242009647,7.068362267,7.026500235,6.985294667,6.7982976,6.718464,0,0,1.226041937,1.606295984,1.192090837,1.074551542,0.921064881,0.578399186,0.444612905,0,0,165.54322,145.3789619,158.2730471,161.2469149,163.8865798,178.5586312,184.917652,0,0,2.015432099,2.352941176,1.797222222,1.882352941,1.787878788,1.2,1,0,0,0.038592396,-0.00617557,-0.00451563,-0.009604246,-0.018787068,0.014909591,0.004876724,0,0,484.264036,-53.80711511,-40.35533633,-107.6142302,-322.8426907,161.4213453,121.066009,0,0,900.5096538,-100.0566282,-75.04247115,-200.1132564,-600.3397692,300.1698846,225.1274134,0,0,0.094864,-0.010540444,-0.007905333,-0.021080889,-0.063242667,0.031621333,0.023716,0,0,4.025697139,-0.447299682,-0.335474762,-0.894599364,-2.683798093,1.341899046,1.006424285,0,0,21.86765075,-2.429738973,-1.822304229,-4.859477945,-14.57843384,7.289216918,5.466912688,0,0,5.160493827,-1.611454047,0.155349794,0.499314129,-3.599794239,1.08436214,0.891975309,0,0,0.002144022,-3.63E-04,-1.51E-04,-2.82E-04,-5.69E-04,4.97E-04,5.42E-04,0,0,26.90355756,-3.165124418,-1.345177878,-3.165124418,-9.783111838,5.380711511,13.45177878,0,0,50.0283141,-5.885684011,-2.501415705,-5.885684011,-18.19211422,10.00566282,25.01415705,0,0,0.005270222,-6.20E-04,-2.64E-04,-6.20E-04,-0.001916444,0.001054044,0.002635111,0,0,0.223649841,-0.026311746,-0.011182492,-0.026311746,-0.081327215,0.044729968,0.111824921,0,0,1.214869486,-0.142925822,-0.060743474,-0.142925822,-0.441770722,0.242973897,0.607434743,0,0,0.286694102,-0.094791415,0.005178326,0.01468571,-0.109084674,0.036145405,0.099108368,0,0,-0.169433346,-0.070204963,-0.131751361,-0.26553137,0.231800966,0.252729809,0,0,-0.117647059,-0.05,-0.117647059,-0.363636364,0.2,0.5,0,0,-0.117647059,-0.05,-0.117647059,-0.363636364,0.2,0.5,0,0,-0.117647059,-0.05,-0.117647059,-0.363636364,0.2,0.5,0,0,-0.117647059,-0.05,-0.117647059,-0.363636364,0.2,0.5,0,0,-0.117647059,-0.05,-0.117647059,-0.363636364,0.2,0.5,0,0,-0.330636082,0.018062201,0.051224317,-0.380491518,0.126076555,0.34569378,0,0,1.459660835,1.055742681,1.176552807,1.34679953,0.402210182,0,0,0,1.5,1.133333333,1.125,1.287878788,0.425,0,0,0,1.5,1.133333333,1.125,1.287878788,0.425,0,0,0,1.5,1.133333333,1.125,1.287878788,0.425,0,0,0,1.5,1.133333333,1.125,1.287878788,0.425,0,0,0,1.5,1.133333333,1.125,1.287878788,0.425,0,0,0,1.679425837,0.707655502,1.122308612,1.672085689,0.329425837,0,0,0,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,19.85889156,9.92944578,15.16551376,19.85889156,3.30981526,9.929573789,-5.33E-15,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,27.25284414,13.45049614,21.08763991,27.01827624,4.50304604,13.45049955,-0.351851852,2.22E-16,3.70E-17,-21.62619203,3000004.126,500000.6876,8.948474533,0,11.89,12.11007471,-0.159022962,0.062659336,5.366457677,7.685504018,5,17,16,16,4,1,1,0,0,1,13.118484,3.524328477,2.902564078,2.573034865,1.726226086,1.598026915,0.406593768,0.083923071,0.083923071,1.876003719,1.563026335,1.280443227,0.821967038,0.769718516,0.083923071,0.083923071,0.083923071,3.546132746,2.950308951,2.624263942,1.814059153,1.695309721,0.522690739,0.270913902,0.270913902,1.820965457,1.473453684,1.185260743,0.688178674,0.630337185,0.270913902,0.270913902,0.270913902,3.645373871,3.155598408,2.844992109,2.177235683,2.090117344,0.962616277,0.943918427,0.943918427,1.665838607,1.195492746,0.887865308,0.244758745,0.162386152,0.943918427,0.943918427,0.943918427,3.562376937,2.985267979,2.661820526,1.877656929,1.765276817,0.60441669,0.399277246,0.399277246,1.786494477,1.415133181,1.123102496,0.598842374,0.536857124,0.399277246,0.399277246,0.399277246,3.695672244,3.252217518,2.948765265,2.339024069,2.26277616,1.207644823,1.207644823,1.207644823,1.619710405,1.104407163,0.789944771,0.089099207,0.004703131,1.138227275,1.207644823,1.207644823,3.58984967,2.971222913,2.834627776,1.949815258,1.766170271,0.630759933,0.514285714,0.514285714,1.809181693,1.408678168,0.962193962,0.500143587,0.49081984,0.514285714,0.514285714,0.514285714,0,0,1,0,1,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.176776695,0,0,0,0.577350269,0.288675135,0,0.353553391,0.176776695,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.621320344,2.474873734,1.457106781,1,0.25,0,0,0,0.770220057,0.494974747,0.291421356,0.25,0.25,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,29,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,4,2,0,1,0,0,0,0,0,0,0,0,2,1,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.134259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,1.067361111,0.580555556,0,0.363194444,0,0,0,0,0,0,0,0,4.261574074,3.791666667,2.270833333,0,0,0,0,0,0,1.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.243402778,0.290277778,0,0.363194444,0,0,0,0,0,0,0,0,2.130787037,3.791666667,1.135416667,0,0,0,0,0,0,1.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.791666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.363194444,0,0,0,0.290277778,0.290277778,0,0.363194444,0,0,0,0,0,0,0,0,2.130787037,3.791666667,1.135416667,0,0,0,0,0,0,1.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.66666667,1.944444444,0.363194444,3.791666667,0.069444444,1.135416667,3.951986111,0.364583333,0.791666667,2.106481481,0.364583333,0.791666667,2.106481481,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.51663,0.75277,5.73058,1.21395,0.20232,2.30487,0.38414,2.80805,0.50319,0.08386,0.10595,0.01766,0.10595,0.01766,0,5,0,0,0,0,0,0,0.666666667,0.918295834,1.99107606,2.530493057,2.530493057,2.298830557,1.714954168,16.52932501,35.83936908,45.54887502,45.54887502,41.37895002,30.86917502,0.220218789,0.477484861,0.606843782,0.606843782,0.551288226,0.411267389,3.251629167,2.178848942,1.639431945,1.639431945,1.871094445,2.454970834,0.220218789,0.477484861,0.606843782,0.606843782,0.551288226,0.411267389,6.73287657,14.84279915,15.3864371,15.3864371,12.6064871,5.599970433,23.69925001,16.64860504,17.03625834,17.03625834,15.64628334,10.02974167,6,3.2,3,6,2,5,2.12,0.911,0.908560296,3.301927249,1.889881575,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.104,0.088,0.143,0.175,2.638,5,4,1,0,0,0,0,0,0,21,1.945910149,2.079441542,1.945910149,0.693147181,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,0,109.6959078,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,84.09390038,4.671883355,10.6758508,1.779308466,0,0,0,31,4,2.776,20,1.218176471,2.110641632,2.920231743,3.624818665,4.20956433,5.623149321,0,0,0,0,72.09694811,74.21656545,75.97776173,49.50282651,15.99596024,5.713479591,0,0,0,0,273.7619267,324.0813406,375.3190545,355.723339,219.2366275,174.7885364,0,0,0,0,8.854038609,14.97827854,20.57089328,25.35640978,28.70356723,37.77892628,0,0,0,0,2.083499297,2.676344453,3.266703144,3.436886715,2.578419397,2.500124754,0,0,0,0,175.1053983,329.7792162,467.0637944,591.481282,744.8280519,1039.819569,0,0,0,0,2.938117647,3.966175231,5.615582318,6.433007096,5.266164105,5.623149321,0,0,0,0,0.432308382,0.564455092,0.695362332,0.743339458,0.576447516,0.57581049,0,0,0,0,308.2486206,113.8802649,9.015344379,159.0987277,-58.77789566,-9.107771696,149.1498928,172.6581606,18.12311607,0.659570706,0.243673716,0.019290458,0.340429294,-0.125769186,-0.019488228,144.0591754,53.22163982,4.213297289,74.35436853,-27.46969368,-4.256492951,0.144650191,0.269229561,1.798376679,6.536451906,467.3473483,0,1,0,333.2330094,18.25467089,6.932917066,449.9020669,21.21089501,7.66253838,514.0541254,22.67276175,8.010684294,1.682558449,1.124205624,294.7152142,246.294061,61.82131638,1.196598948,4.767210268,3.983966622,3.510778589,3.19886722,6.397722307,0.999996207,3.510447354,3.996750848,4.017106173,5.615814589,7.850417139,8.673690574,2.412820275,10.26977523,3.620016362,1.876015069,0.361832119,0.702631956,3.53E-16,3.42E-53,6.38E-112,2.30E-192,1.60E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,0.294594214,3.965537576,0.274083254,4.45981182,0.082938217,0.487493333,0.350381861,0.398762729,0.535396876,0.119964441,0.002548457,0.004948694,2.48E-18,2.41E-55,4.49E-114,1.62E-194,1.12E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0.950975814,3.96762373,0.926316058,4.639615374,0.646110938,1.732105226,0.594040483,1.592409945,0.741517736,0.411954175,0.026556542,0.05156921,2.59E-17,2.51E-54,4.68E-113,1.69E-193,1.17E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,3.313560064,3.993324053,3.748410572,5.525176936,7.013229274,8.021703459,2.223826137,9.374952516,3.281352328,1.745000398,0.322385933,0.626032423,3.14E-16,3.04E-53,5.69E-112,2.05E-192,1.42E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,1.401573849,3.970328157,1.407248562,4.779720316,1.336263876,2.713089012,0.813957148,2.655653566,1.008763835,0.632128622,0.057684251,0.112015216,5.62E-17,5.45E-54,1.02E-112,3.66E-193,2.55E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,4.239449476,4.011159963,5.056871571,5.973963637,11.36079426,11.25896606,3.183809264,13.9127719,5.044052832,2.387797846,0.527697998,1.024722673,5.14E-16,4.98E-53,9.31E-112,3.35E-192,2.33E-294,0,0,0,0,0,0,0,0,0,0,0,0,0,1.900077255,2.927536004,2.057643692,4.710755695,2.17420155,4.473097078,0.911728357,3.311775594,1.364919054,0.863443477,0.095701053,0.185838983,9.33E-17,9.04E-54,1.69E-112,6.08E-193,4.22E-295,0,0,0,0,0,0,0,0,0,0,0,0,0,3.899956611,1.18020692,0.369336683,0.715653997,0.216571589,0.568424556,0.508858724,0.444427299,5.449500214,6.479046528,13.62851329,0.573480996,1.521710579,2.848940616,0.655480827,0.079623165,0.794895412,0.182888579,0.303333289,0.156964303,0.020655452,3.584044607,2.146459076,5.879194047,0.692343118,0.480953044,3.266370054,0.863884999,0.194687971,0.75524002,0.199744828,0.398734718,0.272642011,0.123490649,4.324943023,3.625879064,8.500186391,0.632860029,0.794867378,3.873936416,1.16721618,0.362164193,0.716955264,0.216018462,0.560864894,0.497718186,0.427333418,5.403316789,6.347446226,13.38836855,0.575432896,1.485916498,3.452435536,0.956779316,0.24597709,0.741631189,0.205529509,0.445455614,0.334429414,0.197126567,4.655191943,4.387784752,9.855492872,0.612446784,0.977011595,3.981418893,1.220877457,0.391791836,0.711719008,0.218244228,0.592419065,0.544534074,0.500111225,5.594088186,6.899041813,14.39756138,0.567578512,1.637064364,3.868795597,1.170552395,0.361546704,0.716324945,0.216733053,0.559377316,0.500567475,0.425877455,5.400894696,6.350587608,13.38879281,0.574487418,1.485822246 +UMLYSI0215,L,methyl-3-hexenoate,CCC=CCC(=O)OC,unsaturated esters,C7H12O2,2396-78-3,5362782,UML,,45.3,0,0.2771,0.07678441,35.6665,21.925516,0,0,21,9,12,0,7,0,2,0,0,0,0,0,0,0,1533.977617,1443.097628,1599.732392,1398.732355,1074.366981,851.497004,686.994259,304.609705,78.738912,3770.404799,4402.612411,5155.194383,4878.544454,4109.976703,3282.711527,2439.940443,1582.533001,874.9221648,160.108612,153.215816,260.04776,271.69834,236.721252,219.72512,175.782556,120.111076,83.016576,26.14406286,31.32505172,39.13075585,37.79305424,32.4211306,27.35497115,19.40297826,12.89906818,9.348943289,3477.474889,2931.472338,5457.841985,5885.754357,5051.130341,5018.921424,3910.334822,2558.265711,2028.241198,96.52777778,62,102.25,105.25,93.16666667,66.41666667,67,47,18,73.04655319,72.1548814,47.05095271,38.85367653,34.65699939,28.38323347,29.86931561,20.30731367,6.561576,179.5430857,220.1306206,151.6233642,135.5151237,132.5798936,109.4237176,106.0843671,105.5022,72.9101804,7.624219619,7.6607908,7.648463529,7.547176111,7.636169419,7.324170667,7.642719826,8.007405067,6.918048,1.244955374,1.566252586,1.150904584,1.049807062,1.045842923,0.911832372,0.84360775,0.859937879,0.779078607,165.5940423,146.5736169,160.5247643,163.4931766,162.9396884,167.2973808,170.0145575,170.5510474,169.0200999,4.596560847,3.1,3.007352941,2.923611111,3.005376344,2.213888889,2.913043478,3.133333333,1.5,0.288198225,-0.151762901,0.0062326,0.020014283,-0.011132524,-0.004646631,0.020732766,-0.037795141,0.003073048,751.701177,-11.34037805,-5.743948018,-22.53929768,-270.1723851,92.27564954,-26.9135608,-340.2508567,-24.83197512,1018.843734,-137.0120425,-98.73160711,-25.10417896,-295.3736263,46.41102388,1.27587535,-196.2534508,-114.8950093,1.933471238,0.001381297,0.596481615,-0.298069741,-0.531134685,0.025096136,-0.344334213,-0.763496789,0.138099864,4.548872301,-0.99958663,-0.31311074,-0.264183847,-0.964084177,-0.208282991,-0.062478795,0.094988958,-0.643123455,25.57408015,-6.115137727,-1.180421729,-1.848631544,-4.83852336,-1.866006996,-0.626493954,1.900726519,-3.6532988,37.63756614,-0.810909549,7.249496095,-2.004346183,-10.52582514,-1.006046863,-4.144053918,-13.08635676,1.413454271,0.013723725,-0.007588145,1.83E-04,5.56E-04,-3.59E-04,-1.55E-04,9.01E-04,-0.002519676,2.56E-04,35.79529414,-0.567018902,-0.168939648,-0.626091602,-8.715238228,3.075854985,-1.170154818,-22.68339045,-2.06933126,48.51636829,-6.850602125,-2.903870797,-0.697338304,-9.528181493,1.547034129,0.055472841,-13.08356339,-9.574584109,0.092070059,6.91E-05,0.017543577,-0.008279715,-0.017133377,8.37E-04,-0.014971053,-0.050899786,0.011508322,0.216612967,-0.049979331,-0.009209139,-0.00733844,-0.03109949,-0.006942766,-0.002716469,0.006332597,-0.053593621,1.21781334,-0.305756886,-0.034718286,-0.051350876,-0.156081399,-0.062200233,-0.027238868,0.126715101,-0.304441567,1.792265054,-0.040545477,0.213220473,-0.055676283,-0.339542747,-0.033534895,-0.180176257,-0.872423784,0.117787856,-0.552921677,0.01335729,0.040510307,-0.026167362,-0.011286126,0.06568367,-0.183600011,0.018660188,-0.015840599,-0.004719605,-0.017490891,-0.243474413,0.085929032,-0.032690186,-0.633697557,-0.057810148,-0.141201874,-0.059853425,-0.014373259,-0.19639107,0.031886849,0.001143384,-0.269673181,-0.197347502,7.50E-04,0.190545951,-0.089928421,-0.186090648,0.009085884,-0.162605009,-0.552837551,0.124995271,-0.230731023,-0.042514257,-0.03387812,-0.143571689,-0.032051481,-0.012540659,0.029234617,-0.247416496,-0.251070403,-0.028508709,-0.042166459,-0.128165289,-0.051075342,-0.02236703,0.104051333,-0.249990336,-0.022622478,0.118967043,-0.031064759,-0.189448958,-0.018710902,-0.100529917,-0.486771631,0.06572011,1.54678538,1.099804213,1.028411479,0.965950338,0.799796848,1.163043539,1.475914862,0.128324274,0.998072496,0.98677692,0.976140284,1.223196606,0.803951803,1.028502288,1.732701408,0.805280161,1.376499109,1.066996834,0.978483618,1.151817217,0.887343605,0.844340892,1.064160985,1.104818167,0.71322085,0.819647417,1.051188237,1.271350694,0.718137051,1.42260827,2.374190649,0.061330108,1.575925028,1.0770643,1.002894212,1.112519098,0.924337298,0.824374574,0.753565086,1.106234928,1.608658199,1.070969619,1.012475544,1.105664211,0.928736937,0.839639136,0.71261918,1.068838577,0.582308287,0.594768026,1.087779105,1.593913889,0.746151683,1.355414231,2.293807549,0.132845997,41.52472802,21.01236401,33.27587132,41.91361691,4.657068545,21.01236401,0.5,0.134492735,0.014943637,-1.805620588,35.63401401,3.95933489,3.215970568,41.53491133,21.01672124,33.28136738,41.92265779,4.658073087,21.01672125,0.498531158,0.134257087,0.014917454,-1.807198881,35.64173332,3.960192592,3.216165512,50.75940048,24.98070576,38.55720451,50.1387424,5.570971378,24.98070576,-0.797988956,0.073858752,0.008206528,-2.345040687,82.9073801,9.211931122,3.975951674,41.54559957,21.02129459,33.28713671,41.93214704,4.659127449,21.02129459,0.4969896,0.134009767,0.014889974,-1.808858336,35.6498583,3.961095366,3.216370655,60.82898916,29.33220032,45.00157741,59.14542031,6.571713367,29.33220032,-2.164588529,0.272036763,0.030226307,-1.171636256,45.16064866,5.017849851,3.429203492,42.5944574,21.47036288,33.85703702,42.86377724,4.762641916,21.47036289,0.346268372,0.109796758,0.01219964,-1.988211853,36.57220229,4.063578032,3.239359606,42.2004953,21.41429552,34.71766158,42.81551168,4.757279075,21.41429552,1.107029478,0.186274239,0.020697138,-1.512481761,35.53039521,3.94782169,3.21334968,0,11.99632006,15.9982593,-0.349366521,0.265016218,4.039009901,7.106745631,8,20,18,18,6,2,2,0,0,2,15.992484,3.579334039,3.272229645,2.796716783,2.538412634,1.939206446,1.470539823,1.087722659,0.756831396,1.839721879,1.569932986,1.399527066,1.077604322,0.706301926,0.423445201,0.256863675,0.083923071,3.53971225,3.177465981,2.783838603,2.500594487,1.917359509,1.535545043,0.889811938,0.634211352,1.805208248,1.568845271,1.337110174,1.029128695,0.648216048,0.441970211,0.092978895,0.270913902,3.66530237,3.390190366,3.030503518,2.756069822,2.26598433,1.941717972,1.419082681,1.255945139,1.643713985,1.308695853,1.017795605,0.725070126,0.228903371,0.035021773,0.489197095,0.943918427,3.544447723,3.161098118,2.794960277,2.514143315,1.93282288,1.587428768,0.985056735,0.465144214,1.792599877,1.569084144,1.292863094,1.00303281,0.613775566,0.377558876,0.019954853,0.399277246,3.694598521,3.42065236,3.114086808,2.825535861,2.371380396,2.099733984,1.63964809,1.209058028,1.607099334,1.270677582,0.937546046,0.65122002,0.127465749,0.178122555,0.705833212,1.207644823,4.64359825,3.514249926,3.189937613,2.946269104,2.29912105,1.823116455,1.664907684,1.126415544,1.708488072,1.376077293,1.093318884,0.793474249,0.371842013,0.074927037,0.179078899,0.552631579,0,0,1,2,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.49279928,0.348461713,0.24639964,0.092946256,0.053662546,0.033530744,7.112884175,4.308060412,3.009201922,1.997400241,0.946923425,0.535074775,0.348461713,0.102062073,0.790320464,0.538507552,0.37615024,0.285342892,0.189384685,0.133768694,0.116153904,0.102062073,5.885410682,3.026986667,1.65990957,0.914557625,0.429558378,0.199487238,0.102062073,0.034020691,0.65393452,0.378373333,0.207488696,0.130651089,0.085911676,0.049871809,0.034020691,0.034020691,11.68056503,20.98834669,20.05098039,20.36,12.75180599,161.2212671,0.556217382,0.99944508,0.95480859,0.96952381,0.607228857,7.677203194,1.44189,35.794,25.41191019,39.68761279,50.82382038,5.647091153,25.41191019,0.089797579,0.009977509,-2.16917754,37.38194553,4.153549503,3.259069063,85,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,2,0,2,0,0,0,0,0,0,0,0,2,0,2,0,2,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.81973639,3.571898148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.838472222,0,0,0.659043367,0.965555556,0,0.838472222,0,0,0,0,0,0,0,0,3.412597317,0,1.362434807,0,3.752731481,0,0,0,0,-0.180833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41315193,4.406584467,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.406584467,-0.180833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.395,0,0,0.29626559,0.362777778,0,0.395,0,0,0,0,0,0,0,0,1.390991119,0,0.393194444,0,1.811342593,0,0,0,0,-0.180833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41315193,4.406584467,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41315193,1.941388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.443472222,0,0,0.362777778,0.602777778,0,0.443472222,0,0,0,0,0,0,0,0,2.021606198,0,0.969240363,0,1.941388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41315193,4.406584467,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.16666667,2.574074074,0.602777778,10.41315193,0.29626559,-0.180833333,3.207197933,1.8475,3.413151927,8.682685185,1.8475,3.413151927,8.682685185,4.16666,0.46296,0,0.03704,0.54444,0.87037,0.42414,0.52319,0.87037,0.12031,0.02126,-0.09905,0,0.53191,0.18238,0,0.32,0.12,0,7.25,0.80556,4.75,0.52778,2.5,0.27778,-2.25,-0.25,0,0,5.80873,0.64541,9.9223,4.11357,0.45706,2.64003,0.29334,4.30805,1.66802,0.18534,0.10595,0.01177,0.10595,0.01177,0,8.02,2,2,2,2,0,0,0.571428571,1.312744353,2.619970711,3.653756708,3.748994804,3.653756708,3.748994804,27.56763142,55.01938493,76.72889087,78.72889087,76.72889087,78.72889087,0.298872833,0.596489383,0.831851698,0.853534579,0.831851698,0.853534579,3.07957307,1.772346712,0.738560714,0.643322619,0.738560714,0.643322619,0.294374814,0.587512252,0.819332377,0.840688932,0.819332377,0.840688932,11.97240834,23.95664401,26.04539322,26.14137656,24.99851942,26.14137656,32.89486864,19.24144867,16.47593372,16.24809397,17.6151325,16.24809397,9,6.125,5.87755102,9,3,6,2.01,1.1263,0.142857143,2.576474029,0.632455532,0,3.965406457,1.807204007,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.446,0.43,0.658,0.216,3.797,8,7,5,4,3,1,0,0,0,45,2.397895273,2.564949357,2.564949357,2.48490665,2.397895273,2.197224577,1.098612289,0,0,0,4.317488114,1.644444444,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.5,6,0.75,0,4,7,0.75,1.5,0.666666667,0.25,0.16,0.111111111,0.040816327,0,0,0,0,0.1875,0.083333333,0.035714286,0.032,0.027777778,0.013605442,0,0,0,0,0.379930839,25.41191019,39.68761279,50.82382038,5.647091153,25.41191019,0.089797579,0.009977509,-2.16917754,37.38194553,4.153549503,3.259069063,26.3,141.9358871,4.169925001,3.496507561,4.143134726,4.828313737,5.501258211,6.196444128,6.876264612,7.5750717,8.257126286,8.957381736,72.8315027,2.833213344,0,3.891820298,0,5.117993812,0,6.411818268,0,7.739359203,8.053251154,128.0837296,6.09922522,16.65751855,1.850835395,5.120782991,5.120782991,0,110,7,1.874,32,1.228314551,2.125452395,2.951522609,3.801209597,5.017136067,6.050249108,7.417870848,8.378046568,9.386006187,0,100.0667101,111.9203037,128.9765831,156.6615839,162.2089033,204.2578266,162.1396736,58.39306672,9.536782991,0,293.1364425,348.7296231,434.2710502,568.7238171,597.2182204,695.066942,816.6682693,636.6389495,291.7522176,0,9.486456072,16.38138585,22.33988634,29.01206258,36.96891224,46.44853886,59.410436,58.08281033,63.05954467,0,2.033694497,2.590273114,3.290203654,4.383833811,4.847313203,5.405852979,6.597050563,6.733419451,4.173139476,0,178.3767356,337.2802081,478.4931478,605.8363396,831.0103358,1017.79045,1258.848225,1406.254361,1735.638226,0,3.959569425,6.74348089,8.764543377,11.40456425,11.51982417,18.01276092,23.09370116,12.87541626,9.386006187,0,0.462551278,0.608899522,0.775871266,1.030587995,1.14325802,1.37134341,1.672075201,1.476750039,0.961127034,0,325.2306633,276.5829783,13.68168585,146.6595016,-124.7223166,-19.89794853,178.5711617,401.3052948,33.57963439,0.689208395,0.586117276,0.028993369,0.310791605,-0.2643037,-0.042166483,153.4731513,130.5167872,6.456252994,69.20717641,-58.85523454,-9.389646214,0.311596373,0.374769781,1.940258576,6.958807649,415.7398822,56.15028273,0.881009847,0.118990153,654.3515099,25.58029534,8.681678579,774.5843778,27.83135602,9.183810444,1062.674438,32.59868768,10.20469615,2.886604039,2.886604039,1062.601904,1007.167952,68.27406865,1.055039432,15.56377004,14.7518373,4.528916302,5.735136725,10.355896,0.805692958,4.931297126,4.762639839,3.649932884,11.84938754,5.660336335,0.857267739,6.679649722,6.102012984,9.083241886,0.71964455,1.302509007,4.426668519,1.088280657,5.757584758,0.006314458,0.689240054,1.936126265,4.312951659,3.18E-06,0.125356151,9.60E-19,1.42E-57,4.04E-118,2.22E-200,2.36E-304,0,0,0,0,0,0.421031596,5.028218162,0.345568595,5.968735046,0.130507228,0.102631613,1.183403193,0.121910133,3.968685773,0.005402536,0.359762893,1.590880042,0.087943569,0.863467289,5.31E-04,0.349971447,0.014796415,0.157927804,2.24E-08,8.83E-04,6.76E-21,9.99E-60,2.85E-120,1.57E-202,1.66E-306,0,0,0,0,0,1.338514483,4.527822557,0.854216877,5.730916955,0.521262913,0.245743629,2.164337886,0.650619425,4.000958438,0.053675938,0.530246455,1.569909066,0.280000591,1.276993462,0.001706301,0.373948198,0.145081046,0.644250292,2.33E-07,0.009200432,7.05E-20,1.04E-58,2.97E-119,1.63E-201,1.73E-305,0,0,0,0,0,4.656965823,5.030435763,3.933276152,12.02643266,5.186927257,0.818028929,6.627014465,5.491131254,9.682536833,0.641420451,1.245099276,4.779399918,1.036730982,6.105149149,0.005974807,0.664015572,1.725852372,3.930588934,2.83E-06,0.111690074,8.56E-19,1.26E-57,3.60E-118,1.98E-200,2.10E-304,0,0,0,0,0,1.969425019,4.337891112,1.11477469,5.934221321,0.981031395,0.346219314,2.811207948,1.21901708,4.1765558,0.115769376,0.65421156,1.693708614,0.411899167,1.569278337,0.002510564,0.400919149,0.312280819,1.085523262,5.07E-07,0.019984568,1.53E-19,2.26E-58,6.45E-119,3.54E-201,3.76E-305,0,0,0,0,0,5.955263765,4.934200848,4.822494955,14.88132809,8.186924341,1.040955143,8.169775028,8.641800921,11.40755959,1.048444606,1.543283406,5.534298548,1.339390624,7.827783606,0.00763845,0.846607454,2.819874619,5.873997594,4.64E-06,0.182820165,1.40E-18,2.07E-57,5.90E-118,3.24E-200,3.44E-304,0,0,0,0,0,2.787759467,5.179309131,2.877885436,12.01907417,2.509403036,0.562124244,4.640080947,2.052908291,10.94882737,0.221106482,0.798551321,6.366805209,0.688074708,4.325372572,0.00292081,0.552196959,0.595904247,1.823873482,9.71E-07,0.038283977,2.93E-19,4.33E-58,1.24E-118,6.79E-201,7.20E-305,0,0,0,0,0,10.39958139,0.786038371,0.30334339,0.90518015,0.068416824,0.57462656,0.560794114,0.380891446,11.48896315,11.56755383,25.53618843,0.857770225,1.51631212,8.109974041,0.487002522,0.050098485,0.937886395,0.056319914,0.349401757,0.214682541,0.010389182,8.647075048,4.380273314,13.22521623,0.906829592,0.57447348,8.97114444,0.535665592,0.147747884,0.929213385,0.055483182,0.427638921,0.260589282,0.090359681,9.654557916,6.210144467,16.57470978,0.893820077,0.778587884,10.25400766,0.787106828,0.286490394,0.905222928,0.069485724,0.558621443,0.561941213,0.339744378,11.32760488,11.23417268,24.87404138,0.857834392,1.460307034,9.433828558,0.581313259,0.199460404,0.923562989,0.056910024,0.472926269,0.307059141,0.164681775,10.21460222,7.481633858,18.79007885,0.885344483,0.944667185,10.5713829,0.824632399,0.321739375,0.902167966,0.070374609,0.593754151,0.61703812,0.428489887,11.71775468,12.38405169,26.90657093,0.853251949,1.639282158,10.25523121,0.791078219,0.289074331,0.904709662,0.069788393,0.558700806,0.566547432,0.345900515,11.33538376,11.30589455,24.98644876,0.857064493,1.471148753 +UMLYSI0216,L,3-methyl-1-pentene,CCC(C)C=C,alkenes,C6H12,760-20-3,12969,PubChem,,45.1,0,0.6042,0.36505764,27.4928,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,935.269613,821.316052,390.555817,82.888848,6.096384,0,0,2914.106344,3494.423905,4316.776942,4309.23574,3100.852524,1257.525459,186.5024666,0,0,125.864664,123.114164,212.450036,259.455568,250.270948,183.394368,40.310784,0,0,22.06875486,27.30703172,36.43165651,38.53752256,31.06004837,15.34920546,2.667677429,0,0,2979.777961,2471.442353,4716.396308,6005.352959,5994.805195,4833.801083,1109.505912,0,0,37.02777778,40.66666667,53.66666667,66.16666667,64,35,6,0,0,48.76541633,50.97680359,31.17565377,22.19773114,10.84877269,3.069957333,1.016064,0,0,161.8947969,205.5543474,143.8925647,116.4658308,86.13479232,46.57501701,31.08374443,0,0,6.992481333,7.242009647,7.081667867,7.012312649,6.951970778,6.792384,6.718464,0,0,1.226041937,1.606295984,1.21438855,1.041554664,0.862779121,0.568489091,0.444612905,0,0,165.54322,145.3789619,157.2132103,162.3068367,166.5223665,179.0296697,184.917652,0,0,2.057098765,2.392156863,1.788888889,1.788288288,1.777777778,1.296296296,1,0,0,0.043858197,-0.010671129,-0.009854008,0.002461082,-0.019263152,0.008060485,0.007337624,0,0,484.264036,-53.80711511,-80.71067267,-107.6142302,-242.132018,161.4213453,80.71067267,0,0,900.5096538,-100.0566282,-150.0849423,-200.1132564,-450.2548269,300.1698846,150.0849423,0,0,0.094864,-0.010540444,-0.015810667,-0.021080889,-0.047432,0.031621333,0.015810667,0,0,4.025697139,-0.447299682,-0.670949523,-0.894599364,-2.01284857,1.341899046,0.670949523,0,0,21.86765075,-2.429738973,-3.644608459,-4.859477945,-10.93382538,7.289216918,3.644608459,0,0,5.470679012,-1.470764746,-0.5468107,1.05409808,-2.645061728,0.243055556,0.630144033,0,0,0.002436567,-6.28E-04,-3.28E-04,6.65E-05,-5.35E-04,2.99E-04,0.001222937,0,0,26.90355756,-3.165124418,-2.690355756,-2.908492709,-6.725889389,5.978568346,13.45177878,0,0,50.0283141,-5.885684011,-5.00283141,-5.408466389,-12.50707852,11.11740313,25.01415705,0,0,0.005270222,-6.20E-04,-5.27E-04,-5.70E-04,-0.001317556,0.00117116,0.002635111,0,0,0.223649841,-0.026311746,-0.022364984,-0.024178361,-0.05591246,0.049699965,0.111824921,0,0,1.214869486,-0.142925822,-0.121486949,-0.131337242,-0.303717372,0.269970997,0.607434743,0,0,0.303926612,-0.086515573,-0.018227023,0.028489137,-0.073473937,0.009002058,0.105024005,0,0,-0.257622144,-0.134807288,0.027298958,-0.219607207,0.122523426,0.501910106,0,0,-0.117647059,-0.1,-0.108108108,-0.25,0.222222222,0.5,0,0,-0.117647059,-0.1,-0.108108108,-0.25,0.222222222,0.5,0,0,-0.117647059,-0.1,-0.108108108,-0.25,0.222222222,0.5,0,0,-0.117647059,-0.1,-0.108108108,-0.25,0.222222222,0.5,0,0,-0.117647059,-0.1,-0.108108108,-0.25,0.222222222,0.5,0,0,-0.284659421,-0.059971791,0.093736896,-0.241748942,0.029619182,0.345557123,0,0,1.53095184,1.023289939,0.912751422,1.241211656,0.620740314,0.176618311,0,0,1.5,1.204166667,1.091216216,1.121527778,0.393518519,0,0,0,1.5,1.204166667,1.091216216,1.121527778,0.393518519,0,0,0,1.5,1.204166667,1.091216216,1.121527778,0.393518519,0,0,0,1.5,1.204166667,1.091216216,1.121527778,0.393518519,0,0,0,1.5,1.204166667,1.091216216,1.121527778,0.393518519,0,0,0,1.624823695,0.797009873,0.747707086,1.44583921,0.805641749,0,0,0,19.66433592,9.83216796,14.7814799,19.66433592,3.27738932,9.832308265,-7.11E-15,0.108897205,0.018149534,-1.330410549,30.9395939,5.156598984,2.059222032,19.66433592,9.83216796,14.7814799,19.66433592,3.27738932,9.832308265,-7.11E-15,0.108897205,0.018149534,-1.330410549,30.9395939,5.156598984,2.059222032,19.66433592,9.83216796,14.7814799,19.66433592,3.27738932,9.832308265,-7.11E-15,0.108897205,0.018149534,-1.330410549,30.9395939,5.156598984,2.059222032,19.66433592,9.83216796,14.7814799,19.66433592,3.27738932,9.832308265,-7.11E-15,0.108897205,0.018149534,-1.330410549,30.9395939,5.156598984,2.059222032,19.66433592,9.83216796,14.7814799,19.66433592,3.27738932,9.832308265,-7.11E-15,0.108897205,0.018149534,-1.330410549,30.9395939,5.156598984,2.059222032,19.66433592,9.83216796,14.7814799,19.66433592,3.27738932,9.832308265,-7.11E-15,0.108897205,0.018149534,-1.330410549,30.9395939,5.156598984,2.059222032,29.6708735,14.63057564,22.66993387,29.39772535,4.899620891,14.63057668,-0.409722222,0.163301409,0.027216902,-1.087294589,18.12863909,3.021439849,1.738495775,0,11.79,12.21003864,-0.305446688,0.114839642,5.285153436,7.810753398,5,17,16,16,4,1,1,0,0,1,13.118484,3.510570633,2.923746169,2.591993864,1.830190102,1.29672581,0.791796115,0.083923071,0.083923071,1.885714227,1.511756778,1.344763099,0.882680806,0.533106724,0.283462637,0.083923071,0.083923071,3.534745521,2.96384696,2.648249794,1.914269465,1.399394587,0.92617065,0.270913902,0.270913902,1.82870653,1.427851139,1.246490786,0.753351048,0.386909979,0.117884083,0.270913902,0.270913902,3.643014978,3.140516132,2.887539852,2.261918794,1.817235022,1.449608743,0.943918427,0.943918427,1.665010837,1.175663166,0.933429077,0.326660436,0.10631946,0.458121096,0.943918427,0.943918427,3.55266112,2.993441339,2.689321671,1.975123423,1.473367801,1.021472754,0.399277246,0.399277246,1.792745992,1.373896328,1.181813881,0.667148642,0.288666889,0.005452905,0.399277246,0.399277246,3.696893224,3.22609567,2.998283769,2.417134684,1.999773964,1.668440407,1.207644823,1.207644823,1.615279038,1.095806556,0.828338588,0.177483154,0.283129654,0.673024903,1.207644823,1.207644823,3.566591033,3.091050043,2.747720566,1.989051712,1.539447649,1.075255501,0.507042254,0.507042254,1.854087453,1.301672875,1.045272553,0.625732981,0.217553853,0.077456731,0.507042254,0.507042254,0,0,1,1,0,2,1,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.23570226,0,0,0,0.577350269,0.288675135,0,0.402368927,0.166666667,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.568914101,2.434286965,1.621234435,1.046319478,0.166666667,0,0,0,0.761485683,0.486857393,0.324246887,0.261579869,0.166666667,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.14469,29.382,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,29,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,4,1,0,2,0,0,0,0,0,0,0,0,2,1,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.603657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0.316319444,0,0,1.002708333,0.290277778,0,0.697291667,0,0,0,0,0,0,0,0,4.318796296,3.631435185,1.211805556,0,1.972222222,0,0.699074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.972222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0.316319444,0,0,0.225625,0.290277778,0,0.316319444,0,0,0,0,0,0,0,0,2.159074074,3.631435185,1.211805556,0,1.972222222,0,0.699074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.631435185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.380972222,0.316319444,0,0,0.290277778,0.290277778,0,0.380972222,0,0,0,0,0,0,0,0,2.159722222,3.631435185,1.211805556,0,1.972222222,0,0.699074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.972222222,0.380972222,3.631435185,0.225625,0.699074074,4.45393537,0.634259259,0.631435185,1.900462963,0.634259259,0.631435185,1.900462963,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.47858,0.74643,5.73058,1.25199,0.20867,2.27005,0.37834,2.80805,0.53801,0.08967,0.10595,0.01766,0.10595,0.01766,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.209690973,3.086048612,3.419381946,3.187719446,2.261069445,16.52932501,39.77443751,55.54887502,61.54887502,57.37895002,40.69925001,0.220218789,0.529911443,0.74007293,0.820010419,0.764454863,0.542232641,3.251629167,1.960234029,1.083876389,0.750543056,0.982205556,1.908855556,0.220218789,0.529911443,0.74007293,0.820010419,0.764454863,0.542232641,6.73287657,16.28447751,18.38904545,18.72498713,15.94503712,7.371711855,23.69925001,15.57894792,13.38195556,12.79699306,11.40701806,7.005430558,6,3.2,3,6,2,5,2.12,0.911,0.908560296,3.301927249,1.889881575,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.126,0.12,0.128,0.152,2.433,5,4,1,0,0,0,0,0,0,21,1.945910149,1.945910149,1.945910149,1.098612289,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,0,109.6959078,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,84.09390038,4.671883355,10.6758508,1.779308466,0,0,0,31,4,3.323,20,1.219,2.123631498,2.899970269,3.556163718,4.192301734,5.88270204,0,0,0,0,72.30904117,74.80740243,71.75925488,44.84780399,15.37461283,5.977201766,0,0,0,0,274.3286679,330.0828365,358.8256165,326.9785185,214.1458873,182.8564068,0,0,0,0,8.860546952,15.09415609,20.38319406,24.78034926,28.56585796,39.52272188,0,0,0,0,2.086978642,2.728313977,3.149069318,3.202767769,2.534326866,2.615525242,0,0,0,0,175.1912326,329.8894697,467.2561589,587.8451146,743.3668536,1087.815449,0,0,0,0,2.981019608,3.943223889,5.358752492,6.563400761,5.788272837,5.88270204,0,0,0,0,0.432999265,0.575327332,0.671451208,0.694686021,0.567188732,0.602388689,0,0,0,0,321.0130424,125.3539833,10.03705425,167.6842096,-65.47984297,-10.56554275,153.3288329,190.8338263,20.602597,0.656875072,0.256506422,0.020538389,0.343124928,-0.133988564,-0.021619812,156.8781917,61.26014717,4.905080829,81.94681243,-31.99981932,-5.163351708,0.145708114,0.26217034,3.239478739,5.870371394,488.697252,0,1,0,331.0578085,18.19499405,6.917799096,447.9391783,21.16457366,7.651378443,507.5585236,22.52905954,7.976800096,1.614441754,1.548464708,286.6491871,243.4177611,68.23540586,1.177601773,4.20088638,3.567323416,3.545600309,3.477616438,6.522108179,0.875453575,3.591793317,3.914856144,2.809144108,14.96129676,6.573278713,4.901360619,7.067919348,5.863633837,2.078803188,0.660501497,0.648627375,1.904596213,2.41E-10,5.90E-42,2.78E-95,2.53E-170,4.43E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0.301445031,3.914691781,0.175374784,5.052814874,1.622400242,0.248048757,0.511868237,0.194811722,0.795558644,0.055423534,0.035200744,0.013414227,1.70E-12,4.15E-44,1.96E-97,1.78E-172,3.12E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0.973075264,3.914703164,0.605915445,6.252938337,1.979903641,0.901204746,1.662821003,0.824763852,0.91557315,0.178919051,0.126306161,0.139786586,1.77E-11,4.33E-43,2.04E-96,1.85E-171,3.25E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,3.390360553,3.91483824,2.610029593,14.06376556,6.039152668,4.511531171,6.600310185,5.330095444,1.950036198,0.623454177,0.599007543,1.696960936,2.15E-10,5.25E-42,2.48E-95,2.25E-170,3.95E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.434128364,3.91471756,0.93325876,7.320975706,2.419230433,1.437667526,2.508520423,1.413735505,1.040099242,0.263698947,0.198974555,0.303635145,3.85E-11,9.40E-43,4.43E-96,4.03E-171,7.06E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,4.337608177,3.914931338,3.58938207,18.61479249,8.813231995,6.463894428,8.874490243,8.050839879,2.612576442,0.797676588,0.84604765,2.777674579,3.52E-10,8.60E-42,4.05E-95,3.69E-170,6.46E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,1.912741976,2.662718092,1.21642766,7.657325299,3.468187565,2.023463177,3.984458376,1.950889117,1.599300597,0.509376446,0.269193729,0.489656158,6.20E-11,1.52E-42,7.15E-96,6.50E-171,1.14E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,3.441537837,1.187285226,0.499320226,0.671107971,0.231523411,0.462444258,0.463783849,0.440702358,5.128143289,6.397352005,13.56576119,0.506661956,1.366930465,2.772386541,0.669255635,0.148658892,0.772187761,0.18640655,0.298954985,0.147425989,0.038108327,3.590301068,2.367066026,6.233194052,0.658281641,0.484489302,3.037639513,0.874236184,0.289206384,0.723061215,0.208097858,0.359334732,0.251192766,0.146967702,4.201082081,3.786953802,8.756056515,0.584591822,0.757495199,3.42492227,1.174397969,0.490750409,0.672863405,0.230723314,0.457934154,0.453734188,0.425738435,5.090070648,6.279340047,13.34331767,0.509295108,1.337406778,3.156098789,0.96597949,0.351254039,0.705536402,0.215941813,0.388170659,0.306694292,0.217624934,4.473332319,4.496623344,10.04083323,0.558304603,0.912489885,3.493571533,1.22764471,0.526122319,0.665779708,0.233955689,0.476718107,0.495979263,0.489101672,5.247338561,6.772801847,14.2766078,0.498669561,1.461799042,3.448872411,1.172353551,0.489807695,0.674789611,0.229376997,0.46420991,0.452014046,0.424231326,5.111033657,6.306809854,13.3982819,0.512184416,1.340455282 +UMLYSI0217,L,2-nonanone,CCCCCCCC(=O)C,saturated alkanone,C9H18O,821-55-6,13187,PubChem,,45.1,0,-1.6078,2.58502084,35.7763,28.644274,0,0,28,10,18,0,9,0,1,0,0,0,0,0,0,0,1572.634242,1564.204541,1769.582233,1503.799803,1264.758482,1068.001753,871.245024,674.488295,477.731566,4587.550292,5756.123811,7385.180741,7274.701679,6208.364909,5201.566564,4194.768219,3187.969874,2181.171529,202.148712,198.475388,367.001908,476.60658,425.61896,362.73406,299.84916,236.96426,174.07936,33.74633629,43.69433758,60.94266416,63.48575614,55.52760075,46.50607189,37.48454303,28.46301417,19.44148531,4655.118227,3923.904036,8006.935405,10935.32114,10010.31906,8531.363909,7052.408754,5573.453599,4094.498444,91.27777778,61.75,100.8333333,131.0833333,103.8333333,91.58333333,79.33333333,67.16666667,57.5,56.16550864,57.93350152,34.69769084,22.7848455,21.07930803,20.94121084,20.74392914,20.43903924,19.90548192,163.8410819,213.1897708,144.8074655,110.2227527,103.4727485,101.9915013,99.87543379,96.6051477,90.88214705,7.219596857,7.350940296,7.196115843,7.221311818,7.093649333,7.112432549,7.139265714,7.180735152,7.253306667,1.205226296,1.618308799,1.194954199,0.961905396,0.925460012,0.911883763,0.89248912,0.862515581,0.810061888,166.2542224,145.3297791,156.9987334,165.6866839,166.8386511,167.2816453,167.9144941,168.8925333,170.6041018,3.259920635,2.287037037,1.977124183,1.986111111,1.730555556,1.795751634,1.888888889,2.035353535,2.395833333,0.138548913,-0.042909895,0.002927407,-0.033958257,0.001674991,-1.73E-04,-7.73E-04,0.002472577,0.017316406,850.0347219,-48.03777086,-160.0948736,-217.5330513,13.87362531,12.4017364,10.9298475,9.457958597,7.986069694,1367.240348,-97.12506318,-445.7549762,-212.1133862,8.337032087,8.140890815,7.944749542,7.74860827,7.552466997,1.127262857,-0.004431755,0.077897224,-0.29878702,-0.009034122,-0.020759918,-0.032485714,-0.04421151,-0.055937306,6.076807391,-0.456866205,-2.412795837,-0.483414595,-0.029762393,-0.030217889,-0.030673385,-0.031128881,-0.031584377,33.4170586,-2.519512673,-13.79851578,-1.926234616,-0.286420615,-0.293748978,-0.30107734,-0.308405703,-0.315734066,35.08333333,-0.229166667,4.145833333,-8.458333333,-1,-1.5625,-2.125,-2.604166667,0.125,0.004948175,-0.001589255,5.74E-05,-5.15E-04,2.79E-05,-3.39E-06,-1.84E-05,7.49E-05,7.22E-04,30.35838292,-1.779176699,-3.139115169,-3.295955323,0.231227088,0.243171302,0.260234464,0.286604806,0.332752904,48.83001241,-3.597224562,-8.740293651,-3.213839185,0.138950535,0.15962531,0.189160703,0.234806311,0.314686125,0.040259388,-1.64E-04,0.001527397,-0.004527076,-1.51E-04,-4.07E-04,-7.73E-04,-0.001339743,-0.002330721,0.217028835,-0.016920971,-0.047309722,-0.007324464,-4.96E-04,-5.93E-04,-7.30E-04,-9.43E-04,-0.001316016,1.193466379,-0.093315284,-0.270559133,-0.029185373,-0.004773677,-0.005759784,-0.007168508,-0.009345627,-0.013155586,1.25297619,-0.008487654,0.08129085,-0.128156566,-0.016666667,-0.030637255,-0.050595238,-0.078914141,0.005208333,-0.321180075,0.011600264,-0.103981568,0.005641781,-6.84E-04,-0.00372018,0.015142266,0.145814741,-0.05860578,-0.103401923,-0.108568211,0.007616581,0.008010022,0.008572079,0.009440714,0.010960824,-0.073668311,-0.178994295,-0.065816882,0.002845597,0.003269,0.003873861,0.004808647,0.006444523,-0.004077039,0.037938892,-0.112447713,-0.003739965,-0.010110865,-0.01921215,-0.033277772,-0.057892611,-0.077966462,-0.217988187,-0.033748804,-0.002285594,-0.002730087,-0.003365077,-0.004346424,-0.006063783,-0.078188448,-0.226700255,-0.02445429,-0.003999842,-0.004826096,-0.00600646,-0.007830658,-0.011023005,-0.006773995,0.064878208,-0.102281725,-0.013301663,-0.024451586,-0.040380048,-0.062981358,0.00415677,1.127141443,0.786907803,1.189508281,0.740010285,0.827300159,0.948389291,1.117723223,1.341527356,1.291178025,1.140925609,1.089918719,0.892273454,0.898930766,0.908441212,0.923139174,0.948860608,1.494522204,1.320919219,1.010616902,0.922288648,0.910701431,0.894148263,0.868566095,0.823797301,0.555040021,0.554275233,1.293349792,0.728402071,0.834667479,0.986475204,1.221087143,1.631658036,1.552547244,1.380834349,0.976972255,0.923583322,0.911209146,0.893531751,0.866212142,0.818402824,1.555544051,1.387216962,0.970999831,0.920855229,0.910139305,0.894830843,0.871172311,0.829769879,0.539192399,0.496087746,1.289462319,0.71935867,0.838759257,1.009331524,1.270999784,1.620694774,62.93280857,31.59140428,50.87529316,63.13280857,6.313280857,31.59140428,0.25,0.105803197,0.01058032,-2.246174543,51.91439554,5.191439554,3.949596122,62.93474668,31.59200613,50.87606658,63.13415914,6.313415914,31.59200613,0.249265579,0.105782005,0.0105782,-2.24637486,51.91269947,5.191269947,3.949563451,64.6616162,32.13131086,51.5773687,64.34242062,6.434242062,32.13131086,-0.398994478,0.086336725,0.008633672,-2.449500223,50.61581372,5.061581372,3.924264052,62.93678078,31.59263779,50.87687834,63.13557662,6.313557662,31.59263779,0.2484948,0.105759762,0.010575976,-2.246585154,51.91092,5.191092,3.949529173,66.51351175,32.71560874,52.35791387,65.64767634,6.564767634,32.71560874,-1.082294264,0.064082528,0.006408253,-2.747583531,49.67318651,4.967318651,3.905465281,63.13588845,31.65451132,50.95649744,63.2743958,6.32743958,31.65451132,0.173134186,0.103575348,0.010357535,-2.267455933,51.73972895,5.173972895,3.946225938,69.5817276,34.80030747,56.90569966,69.9664895,6.99664895,34.80030747,0.641269841,0.140427191,0.014042719,-1.963066138,55.11324856,5.511324856,4.009390133,0,11.89,15.99491689,-0.299510272,0.191113589,4.105421541,7.367922806,9,27,26,26,8,1,1,0,0,1,20.635726,3.555896541,3.372316184,3.032619081,2.591976283,2.176279062,1.973164626,1.614972089,1.299937317,1.913758674,1.754290941,1.547467854,1.318528223,1.049726026,0.799595932,0.620793293,0.52080561,3.54698993,3.361364693,3.041565998,2.635572267,2.227783327,1.905157158,1.627286552,1.384446954,1.861858789,1.710761443,1.486329671,1.220028965,0.940120875,0.685468308,0.494111467,0.376441458,3.678616492,3.515260736,3.227551473,2.867523512,2.523722341,2.272210432,2.039098165,1.841305808,1.682827446,1.505351036,1.234118028,0.907632999,0.567644996,0.255546325,0.01242927,0.142396147,3.560077008,3.370676293,3.060183129,2.672156713,2.274713829,1.928655746,1.650463562,1.442816759,1.831647003,1.684959817,1.446156053,1.156101001,0.869170927,0.623934722,0.436692164,0.311706474,3.727256061,3.565477456,3.299671826,2.973683886,2.65052996,2.377059974,2.163725182,2.012802179,1.632879766,1.454839254,1.164938126,0.806639542,0.444147219,0.13019782,0.117559664,0.294091026,4.983530564,3.509459173,3.254460456,2.932545006,2.759739042,2.337173178,1.922814245,1.627734784,1.793170615,1.556456196,1.258601724,1.008592472,0.727936592,0.436025462,0.219040251,0.096439938,0,0,0,1,0,2,6,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.144337567,0,0,0,0.288675135,0.204124145,0.144337567,0.102062073,0.072168784,0.051031036,7.819990956,4.77005561,3.596735547,1.885027805,1.156139248,0.692513903,0.401292929,0.216506351,0.781999096,0.530006179,0.399637283,0.269289686,0.192689875,0.138502781,0.100323232,0.072168784,7.150888978,4.264784317,2.866228665,1.632392159,0.97749887,0.566196079,0.311972739,0.150515518,0.715088898,0.473864924,0.318469852,0.23319888,0.162916478,0.113239216,0.077993185,0.050171839,14.59124934,27.32119446,25.87843137,26.24,16.66722994,215.4088168,0.521116048,0.975756945,0.924229692,0.937142857,0.595258212,7.693172027,2.9359,44.057,32.77768137,52.23678852,65.55536274,6.555536274,32.77768137,0.062731007,0.006273101,-2.768899426,49.79340041,4.979340041,3.907882453,111,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,2,0,0,0,0,0,0,0,0,0,0,2,0,6,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.47643857,0.330091175,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.894065177,0.802777778,0,0,0,0,0,0,0,0,0,0,3.865867268,0,6.994269652,0,0,0,0,0,0,0.330091175,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.47643857,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.47643857,0.330091175,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.219338349,0.401388889,0,0,0,0,0,0,0,0,0,0,1.666488804,0,0.781462585,0,0,0,0,0,0,0.330091175,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.47643857,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.47643857,0.330091175,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.199378464,0,1.317365835,0,0,0,0,0,0,0.330091175,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.47643857,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.66666667,2.166666667,0.498901447,10.47643857,0.219338349,0.330091175,4.994749777,1.336575491,3.476438571,7.35163407,1.336575491,3.476438571,7.35163407,4.83333,0.48333,0,0.01667,0.47024,0.77667,0.425,0.47024,0.77667,0.04524,0,-0.04524,0,0.62232,0.09197,0,0.27586,0.10345,0,6.25,0.625,4.75,0.475,1.5,0.15,-3.25,-0.325,0,0,9.28658,0.92866,11.32243,2.03585,0.20358,4.02767,0.40277,4.77005,0.74238,0.07424,0.14395,0.0144,0.14395,0.0144,0,9.01,1,1,1,1,0,0,0.888888889,1.107784385,1.712058833,2.968642656,3.52969644,3.45113462,2.989717315,31.01796278,47.93764732,83.12199436,98.83150031,96.63176937,83.71208483,0.230435323,0.356133229,0.617521008,0.734228385,0.71788638,0.621904845,3.699570537,3.095296089,1.838712266,1.277658483,1.356220302,1.817637607,0.230435323,0.356133229,0.617521008,0.734228385,0.71788638,0.621904845,9.474970853,16.72626423,19.89854851,21.24914791,18.47894834,18.01392043,37.17060982,26.18488128,22.89272258,20.32965204,24.7833458,26.21324986,10,7.111111111,9.142857143,10,1,9,2.34,1.3924,0.125,3.408272627,0.755928946,0,7.473424937,2.00414513,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,4.885,9,7,6,5,4,3,2,0,0,55,2.397895273,2.48490665,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,0,0,4.17438727,1.163636364,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0.666666667,8,0.888888889,0,4,8,1,1.5,0.444444444,0.25,0.16,0.111111111,0.081632653,0.0625,0,0,0,0.166666667,0.049382716,0.035714286,0.026666667,0.022222222,0.020408163,0.020833333,0,0,0,0.341894054,32.77768137,52.23678852,65.55536274,6.555536274,32.77768137,0.062731007,0.006273101,-2.768899426,49.79340041,4.979340041,3.907882453,17.07,170.3740883,4.321928095,3.610917913,4.234106505,4.919980926,5.564520407,6.255750042,6.908754779,7.601402335,8.258163362,8.951180966,75.30477723,2.944438979,0,4.007333185,0,5.198497031,0,6.447305863,0,7.727094485,8.058643712,142.1357652,5.076277328,18.66265458,1.866265458,2.379930761,2.379930761,0,158,7,3.283,36,1.236962963,2.135751505,2.88643812,3.613789069,4.946333523,5.971526789,7.286522598,8.397080809,9.713795933,10.71454409,82.53193165,83.11200714,77.04876922,96.24560472,119.6704622,143.1145365,163.7625764,181.5545128,83.73113016,10.88666252,289.3556322,332.3574824,347.7854399,438.1093651,553.4097429,657.6456804,751.3835527,809.3393084,742.8400363,333.0481501,9.125114217,15.44685266,20.90332988,25.75490587,35.2740696,42.7139468,52.3816953,60.88591527,71.99115105,71.98527872,2.141797697,2.685667999,2.947728522,3.766027549,4.82133732,5.734961204,6.598385589,7.120889151,7.260083956,4.76382457,177.5632613,331.6821132,474.6741223,588.9035123,818.1903782,989.0566317,1220.378338,1420.856112,1664.842662,1981.308335,2.888466049,4.411254515,5.844334401,6.452423162,9.0504979,11.43358697,14.96612013,20.2107922,24.92068641,10.71454409,0.452805556,0.586290099,0.6568749,0.825747458,1.069148648,1.282730661,1.50315118,1.670415238,1.754252723,1.097169314,454.657572,287.6528003,14.51020427,179.6877688,-113.6848764,-19.37543,274.9698032,401.3376767,33.88563427,0.716735101,0.453464039,0.022874298,0.283264899,-0.179216066,-0.030543978,288.4099125,182.4712136,9.204480472,113.9840989,-72.11547165,-12.29071375,0.204800901,0.473349727,4.5535835,17.88857413,596.5538874,37.7914534,0.94042448,0.05957552,630.5403057,25.11056164,8.575068888,804.9069552,28.37088217,9.30211905,1032.558664,32.13345085,10.10737188,2.839697529,2.839697529,1617.428383,1558.467775,85.67770382,1.037832421,18.87805475,18.18988728,5.150309523,5.695287448,11.31410688,0.986573458,5.033424998,7.675290027,2.844538532,28.87804868,10.75989009,0.161458543,5.496979988,9.987332537,19.23588977,0.715754524,3.09560597,12.76046078,4.256785816,9.479459365,1.487191097,1.017315279,3.122424508,4.099338175,1.339698389,3.13011649,0.130159373,0.063162438,7.41E-21,1.68E-61,7.32E-124,6.16E-208,1.0000956469E-313,0,0,0,0.438914246,7.674981619,0.197202577,7.389825317,0.165317767,0.003074987,0.876062808,0.383309002,6.337866865,0.026987694,0.025975771,1.786323782,0.15376268,3.629483605,0.07357752,0.061176128,0.197153351,0.15014886,0.989478822,0.072947696,9.18E-04,4.45E-04,5.22E-23,1.18E-63,5.15E-126,4.34E-210,7.0437554E-316,0,0,0,1.369490765,7.674885019,0.663948087,8.704556454,0.912177695,0.016321536,1.789296368,1.470623963,7.409271071,0.108917328,0.23279627,3.215689857,0.630054983,4.205594713,0.271275509,0.196887578,0.485500091,0.498321613,1.060966091,0.36051,0.009555056,0.004635766,5.44E-22,1.23E-62,5.37E-125,4.52E-209,7.340136217E-315,0,0,0,4.756253446,7.67531472,2.656422706,27.05074842,9.860153421,0.145551334,5.228628552,9.244687842,19.00075023,0.652835913,2.759189477,12.16658069,3.878714791,9.532380382,1.368510726,0.937759578,2.890468438,3.960539997,1.318258194,2.823926505,0.115970219,0.056276596,6.60E-21,1.49E-61,6.52E-124,5.49E-208,8.9106721616E-314,0,0,0,2.010801988,7.674871233,1.006217213,10.45523993,1.781924473,0.030944121,2.426404208,2.437179501,8.481604839,0.182577523,0.499406443,4.455812769,1.064040483,4.723358452,0.433964428,0.30770298,0.769370075,0.806122035,1.110039863,0.657817719,0.020752852,0.010069502,1.18E-21,2.67E-62,1.17E-124,9.82E-209,1.59437567E-314,0,0,0,6.078612651,7.675503062,3.570624994,38.7356238,15.64864155,0.230158628,6.563052255,13.69820436,24.33150605,0.972277067,4.509810803,16.16458912,5.805277023,11.522979,1.963103605,1.335790824,4.284875196,5.846489435,1.419081785,4.398952427,0.189822554,0.09211648,1.08E-20,2.44E-61,1.07E-123,8.98E-208,1.4585455105E-313,0,0,0,3.208651336,7.269189561,1.567292557,18.78780237,5.746999391,0.068354605,3.643696517,5.420558074,18.69829218,0.323308809,1.170023633,9.893305478,1.911250299,10.76748823,0.71453786,0.535435497,2.01437089,3.383038186,1.7299389,1.427956521,0.04901545,0.02378379,2.79E-21,6.31E-62,2.76E-124,2.32E-208,3.7658560255E-314,0,0,0,11.95529106,0.801278397,0.473386725,0.903653111,0.060565461,0.542536148,0.554509491,0.571411935,13.22995619,15.6183071,33.38307921,0.855479666,1.668457574,11.11632772,0.53784036,0.093930533,0.946223562,0.045781056,0.472385683,0.226167893,0.022497317,11.74809861,7.073491924,19.38318332,0.919335343,0.721050894,11.31082609,0.579313796,0.24610074,0.931987626,0.047734205,0.485838565,0.290609217,0.154434027,12.13624063,9.478689821,23.22750988,0.897981439,0.930881808,11.95583557,0.818031898,0.457940325,0.903567809,0.061823139,0.54259453,0.58053593,0.534730472,13.2318078,15.62992388,33.34050477,0.855351713,1.657860932,11.45262153,0.608958185,0.317530349,0.925157097,0.049192404,0.497861685,0.321169951,0.257091452,12.37911006,10.80408523,25.39770517,0.887735646,1.076123088,12.04787907,0.837834918,0.501052629,0.899984247,0.062586802,0.550973286,0.60617163,0.640153092,13.38676662,16.55055464,34.99501352,0.84997637,1.797298009,12.00868623,0.824377131,0.458005929,0.903515433,0.062024892,0.547418759,0.589759848,0.534883692,13.29106929,15.77730542,33.60248974,0.85527315,1.672062299 +UMLYSI0218,L,5-methyl-2-hexanol,CC(C)CCC(C)O,saturated alcohols,C7H16O,627-59-8,12323,PubChem,,44.7,0,0.0811,0.00657721,33.4924,23.790688,0,0,24,8,16,0,7,0,1,0,0,0,0,0,0,0,1282.073872,1255.482027,1555.679424,1219.250137,911.716224,867.7127,276.421824,24.385536,0,3678.349,4646.893789,6209.437411,6293.734537,4921.581363,3678.841084,2409.231857,746.0098663,0,173.630752,171.512628,312.390672,414.895468,421.579848,278.236928,223.658496,161.243136,0,27.27931048,35.31067264,50.44910907,55.46459721,46.82543813,32.60419502,23.2443573,10.67070972,0,4031.694211,3396.131957,6808.54984,9355.513756,10317.33628,6619.323458,5103.997848,4438.023649,0,72.05555556,54.91666667,88.66666667,117.1111111,93.66666667,78.33333333,74,24,0,53.41974467,54.58617509,36.17859126,21.39035328,15.1952704,22.24904359,9.2140608,1.016064,0,153.2645417,202.0388604,144.4055212,110.4163954,82.02635605,94.32925857,80.30772857,31.08374443,0,7.234614667,7.457070783,7.264899349,7.27886786,7.0263308,7.134280205,7.4552832,6.718464,0,1.136637937,1.535246636,1.173235095,0.973063109,0.780423969,0.836005,0.77481191,0.444612905,0,167.9872588,147.6579112,158.3383684,164.1318203,171.9556047,169.7262425,170.1332616,184.917652,0,3.002314815,2.387681159,2.062015504,2.054580897,1.561111111,2.008547009,2.466666667,1,0,0.228500848,-0.111063989,0.014626534,-0.045853067,0.014399132,0.053059683,-0.079460924,0.040042206,0,719.4334713,-66.68627803,-44.90075347,-460.8055067,183.029991,171.3481254,-494.4609865,352.7586727,0,1116.273633,-77.08945916,-173.283621,-645.5473793,255.4199969,120.4119752,-581.1138504,543.0655213,0,1.103039333,-0.085166694,0.019115194,-0.37837175,0.084361,0.139618417,-0.5218925,0.190816667,0,4.928582618,-0.238116022,-1.056637682,-2.380066438,0.890810875,-0.05265492,-1.762295431,2.134668309,0,27.13388615,-1.139693072,-6.226563631,-12.17173484,4.4170264,-1.283120265,-8.297744772,11.13488711,0,24.8287037,-4.565007716,3.077739198,-9.197337963,-0.085648148,7.317708333,-12.85532407,3.893518519,0,0.009520869,-0.004828869,3.40E-04,-8.04E-04,2.40E-04,0.001360505,-0.002648697,0.001668425,0,29.97639464,-2.899403393,-1.044203569,-8.084307136,3.05049985,4.393541677,-16.48203288,14.69827803,0,46.51140137,-3.351715616,-4.029851651,-11.32539262,4.256999948,3.087486544,-19.37046168,22.62773006,0,0.045959972,-0.0037029,4.45E-04,-0.006638101,0.001406017,0.003579959,-0.017396417,0.007950694,0,0.205357609,-0.010352871,-0.024572969,-0.041755552,0.014846848,-0.001350126,-0.058743181,0.088944513,0,1.130578589,-0.049551873,-0.144803805,-0.213539208,0.073617107,-0.03290052,-0.276591492,0.463953629,0,1.034529321,-0.198478596,0.07157533,-0.161356806,-0.001427469,0.187633547,-0.428510802,0.162229938,0,-0.507187869,0.035726988,-0.084492266,0.025206265,0.142897119,-0.27819914,0.175238763,0,-0.096722886,-0.034834195,-0.269689108,0.1017634,0.146566715,-0.54983373,0.490328414,0,-0.072062237,-0.086642232,-0.243497127,0.091525945,0.066381284,-0.416466955,0.486498566,0,-0.080567929,0.009672317,-0.144432221,0.0305922,0.077892984,-0.378512341,0.172991716,0,-0.050413864,-0.119659405,-0.20333092,0.07229753,-0.006574512,-0.286053102,0.433120123,0,-0.043828773,-0.128079381,-0.188876041,0.065114542,-0.029100604,-0.244645967,0.410368314,0,-0.191854008,0.069186372,-0.155971226,-0.001379825,0.181370932,-0.414208465,0.156815215,0,1.437402027,0.703522957,1.157471008,0.688552979,0.757440655,2.177117472,0.439397099,0,1.429336028,1.130480942,1.304154611,0.704544029,0.750218496,1.621553831,0,0,1.565389987,1.2770513,1.261628182,0.730358876,0.813340493,1.254273542,0,0,1.046221984,0.805507129,1.308054896,0.609391385,0.82472406,2.467107912,0,0,1.609800468,1.338835816,1.229341832,0.735217003,0.87401949,1.104412816,0,0,1.613537024,1.348917849,1.220178046,0.734375761,0.893163171,1.081304098,0,0,1.175834421,0.733657403,1.319999607,0.631717322,0.725770593,2.532015663,0,0,37.09748814,18.67374407,29.27653665,37.28498814,4.660623517,18.67374409,0.25,0.022728881,0.00284111,-3.027295093,27.944984,3.493123,2.664190176,37.10076008,18.67501283,29.27815301,37.28770927,4.660963659,18.67501286,0.249265579,0.022664675,0.002833084,-3.029558195,27.94539283,3.493174104,2.66420188,40.06206292,19.83153422,30.80696608,39.76281706,4.970352133,19.83153423,-0.398994478,0.040249159,0.005031145,-2.57013293,28.90914774,3.613643468,2.691326461,37.10419424,18.67634452,29.27984966,37.29056534,4.661320668,18.67634454,0.2484948,0.022597274,0.002824659,-3.03194079,27.94582313,3.493227891,2.664214198,43.30724355,21.11247464,32.66730019,42.49552285,5.311940356,21.11247464,-1.082294264,0.121578612,0.015197326,-1.685755373,32.67590526,4.084488157,2.789310371,37.4410729,18.80710354,29.44707816,37.57092354,4.696365443,18.80710356,0.173134186,0.01592927,0.001991159,-3.311677567,27.99416541,3.499270676,2.665596888,43.68884328,22.09442164,35.61077939,44.06384328,5.50798041,22.09442164,0.5,0.047599221,0.005949903,-2.435951104,27.87130652,3.483913315,2.662078176,0,11.99632008,15.99794276,-0.418490438,0.07760409,4.576435934,7.54364218,7,23,23,23,7,0,0,0,0,0,17.491312,3.524233373,3.215460033,2.549142691,2.333552793,2.117823924,1.666644948,1.009214989,0.883571262,1.905988514,1.670073552,1.306991158,1.249629723,0.871123792,0.620829389,0.380543836,0.291050513,3.534677966,3.208401805,2.594678236,2.405454588,2.013134749,1.639693392,1.113534073,0.963479517,1.855353501,1.619337083,1.205753762,1.134540686,0.818752103,0.575352571,0.224634845,0.157219454,3.664404574,3.386258681,2.839904438,2.704236987,2.432313283,2.089214878,1.599294226,1.511724279,1.674819193,1.382060274,0.882019883,0.76031856,0.362166425,0.046010586,0.321281777,0.440771994,3.550814713,3.222818741,2.634011937,2.457539916,2.032310525,1.649802781,1.196070329,1.03093979,1.824197037,1.587384062,1.140026772,1.058262671,0.798782575,0.515301654,0.119269109,0.056627367,3.717662655,3.448193645,2.950726744,2.838982085,2.524076881,2.227600288,1.800954679,1.716832256,1.62326314,1.320341037,0.775887532,0.631337262,0.247273501,0.082718317,0.519704428,0.64119515,4.292299325,3.498048238,3.039182121,2.728204442,2.657839583,1.963354433,1.335872299,1.258551185,1.791715901,1.447141054,1.00535889,0.857839583,0.513973957,0.108591059,0.027368879,0.323899939,0,0,0,0,0,3,3,1,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.590822476,0,0,0,0.577350269,0.333333333,0.666666667,0.417774579,0.241202266,0.390273464,6.568914101,3.625897658,3.365043969,1.321367205,0.666666667,0.666666667,0,0,0.821114263,0.51798538,0.420630496,0.264273441,0.166666667,0.166666667,0,0,6.016127696,3.306746278,2.820218485,1.161791515,0.574535599,0.482404532,0,0,0.752015962,0.472392325,0.352527311,0.232358303,0.1436339,0.120601133,0,0,12.04942153,23.43335761,22.15294118,22.48,13.86867545,185.6378671,0.502059231,0.9763899,0.923039216,0.936666667,0.577861477,7.734911128,1.8034,35.7528,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,56,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.569722222,0,8.80125,0,0,0,0,0,0,0,0,0,0,0.569722222,0,0,0,0,0,0,0,0,0,0,0,0,0,2.030277778,0,0,0,0,0,0,0,0,0,0,0,6.17375,0,2.078703704,0,0,0,0.612962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.80125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.569722222,0,8.80125,0,0,0,0,0,0,0,0,0,0,0.569722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0.227777778,0,0,0,0,0,0,0,0,0,0,0,1.835694444,0,0.94212963,0,0,0,-0.113518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.80125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.569722222,0,8.80125,0,0,0,0,0,0,0,0,0,0,0.569722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.169027778,0,1.136574074,0,0,0,0.726481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.80125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.66666667,2.208333333,0.569722222,8.80125,0.227777778,-0.113518519,3.929504444,1.446851852,2.80125,6.278611111,1.446851852,2.80125,6.278611111,3.83333,0.47917,0,0.02083,0.46528,0.79583,0.42308,0.46528,0.74074,0.0422,0,-0.0422,0.05509,0.60209,0.1122,0,0.47826,0.26087,0,3.75,0.46875,3.75,0.46875,0,0,-3.75,-0.46875,0,0,7.99616,0.99952,8.87961,0.88345,0.11043,3.33176,0.41647,3.62588,0.29412,0.03676,0.28812,0.03601,0.28812,0.03601,0,7.01,1,1,1,1,1,1,1,1.099483982,1.861702233,2.979573959,3.40726823,3.29248125,2.764160417,26.38761556,44.68085358,71.509775,81.77443751,79.01955001,66.33985,0.239802175,0.406045247,0.649857869,0.743139825,0.718104292,0.602875251,3.485478519,2.723260268,1.605388542,1.177694271,1.29248125,1.820802084,0.243057129,0.4115567,0.658678711,0.753226829,0.727851477,0.611058375,9.670323248,16.34524131,19.64963355,19.16465997,18.7032308,15.23264189,29.54361368,20.7037288,17.91666667,18.03007552,18.97180469,15.09586458,8,3.9375,7.2,8,0,6,2.12,1.1536,0.814325285,2.449489743,3,0,1,2.828427125,0,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0.348,0.421,0.415,0.371,0.175,3.661,8,5,4,4,0,0,0,0,0,36,2.079441542,2.197224577,1.791759469,1.609437912,1.609437912,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,2.5,0.666666667,0.25,0.32,0,0,0,0,0,0,0.357142857,0.083333333,0.05,0.08,0,0,0,0,0,0,0.57047619,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,20.23,138.4185778,4,3.433987204,4.043051268,4.779123493,5.424950017,6.150602768,6.814542897,7.529943371,8.204398418,8.912338567,70.292938,2.708050201,0,3.850147602,0,5.105945474,0,6.408528791,0,7.738488122,8.049746291,116.1201151,4.83833813,14.50192071,1.812740089,2.367905071,2.367905071,0,74,5,2.388,30,1.225086957,2.123072524,2.876198178,3.46888805,4.461146139,5.505097525,6.029636281,0,0,0,78.47908308,86.646809,68.75267618,65.21740275,117.0967675,52.45449591,6.126496358,0,0,0,273.3612548,331.0365,337.1319778,320.6578111,469.2328498,455.6074067,187.4236732,0,0,0,9.161889003,15.50981488,20.98595166,24.45428806,32.05707573,41.08836323,40.50989429,0,0,0,2.019873764,2.630235321,2.913564662,2.934740891,4.02014354,4.375704646,2.680854102,0,0,0,178.4547259,332.3800461,469.3550836,589.150877,747.2377057,931.3251008,1114.986184,0,0,0,2.967423913,4.592772047,6.012717952,5.572361399,9.611312166,13.70894409,6.029636281,0,0,0,0.435339417,0.582208114,0.656439783,0.658113461,0.929819832,1.052047547,0.617434755,0,0,0,371.7063705,252.5383488,12.06008789,151.6702356,-103.0451827,-18.34880748,220.036135,355.5835315,30.40889537,0.710208225,0.482517457,0.023042849,0.289791775,-0.196885343,-0.035058517,194.5424187,132.1726639,6.311967871,79.38065313,-53.93143798,-9.603336583,0.309250012,0.578084743,3.605335421,17.12172505,482.1002674,41.27633868,0.921134536,0.078865464,470.1693138,21.68338797,7.77591361,633.5057871,25.16954086,8.588490946,800.0889415,28.28584348,9.283521679,1.722422864,1.722422864,636.125518,549.5427602,122.8417092,1.157554178,5.178416371,4.47358445,4.353259229,4.466158665,7.636292013,0.709812074,4.897845711,6.073894182,3.772397684,20.3342135,8.75718973,4.609839772,4.477783431,12.06717789,4.951242785,3.849949212,4.838512829,0.410808337,1.95233787,1.267677769,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.430947302,6.200672093,0.270226128,7.435297622,0.840588031,0.112910968,0.42890124,0.62432586,2.34278513,0.144292865,0.287435069,0.01059618,0.130750456,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.271701343,5.964454507,0.81160521,8.567321726,1.440285193,0.528480538,1.048070914,2.150446053,2.458538189,0.530582002,0.715986463,0.037406165,0.443886133,0.093040376,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.846124884,6.200418944,3.708516937,19.78511074,8.113913257,4.195029216,4.157298679,11.25215201,4.789228161,3.614659813,5.054749143,0.366892256,1.820059317,1.12947807,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,1.807352978,5.874705692,1.181033577,9.699892071,2.121568618,0.953228003,1.53469823,3.395283484,2.667694603,0.87459522,0.988409174,0.072105936,0.676269982,0.202096129,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.095488213,6.154173322,4.917713367,25.48745774,12.24675336,6.498762451,5.749385737,16.08878133,6.074833484,5.354886057,6.899568897,0.595454526,2.465679819,1.848788888,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,4.220414187,5.968077737,2.820833152,17.04955414,4.962081579,2.169059736,2.328857964,6.763746784,4.346977855,2.282459244,5.472686665,0.156416395,1.250708431,0.456363997,1.29E-06,2.88E-33,1.23E-81,1.02E-151,1.63E-243,0,0,0,0,0,0,0,0,0,0,0,5.269702759,1.296089034,0.568166827,0.738678627,0.181678799,0.553400498,0.482050418,0.402496982,7.133958619,10.56046905,21.57500934,0.608017941,1.437947898,4.637885283,0.92656404,0.156079379,0.810744168,0.161971749,0.451846261,0.261014729,0.031293084,5.720528703,5.165793521,11.55704178,0.716116252,0.744154074,4.854366012,1.014810164,0.330776407,0.782968248,0.16368031,0.473776641,0.305578557,0.139889666,6.199952583,6.867644977,14.69708813,0.674452372,0.919244864,5.248429711,1.308481946,0.550261131,0.738469412,0.184107237,0.551623782,0.501614212,0.377695591,7.107172789,10.47548915,21.36156679,0.607704118,1.430933585,4.978297776,1.063224,0.409962112,0.771651586,0.164803016,0.493746761,0.323832849,0.213876743,6.451483889,7.769840703,16.39127278,0.657477379,1.031456353,5.320083725,1.338420677,0.59501558,0.733448552,0.184520161,0.564241083,0.515032833,0.439897543,7.253519982,11.08242392,22.57275832,0.600172828,1.519171459,5.266123183,1.311954165,0.551178468,0.738663799,0.184023999,0.555155205,0.503652294,0.378561552,7.129255816,10.53460684,21.47190632,0.607995698,1.437369051 +UMLYSI0219,L,"2,3-dimethylbutane",CC(C)C(C)C,linear alkanes,C6H14,79-29-8,6589,PubChem,,44,0,1.1458,1.31285764,28.5356,19.895102,0,0,20,6,14,0,6,0,0,0,0,0,0,0,0,0,879.809622,890.819837,1095.705078,929.26378,321.052032,36.578304,0,0,0,2976.273833,3723.897138,4979.365438,5310.781543,3686.191126,1119.0148,0,0,0,139.301592,137.349428,253.98204,316.795792,372.377088,241.864704,0,0,0,22.95798067,29.53412034,42.11255244,48.11480844,40.06345059,16.00606457,0,0,0,3349.613265,2777.687448,5735.98382,7198.538237,9222.470706,6657.035473,0,0,0,33.55555556,39.11111111,57.33333333,77,78,36,0,0,0,43.9904811,46.88525458,30.43625217,20.65030622,5.945408,1.016064,0,0,0,148.8136916,195.9945862,138.3157066,118.0173676,68.26279863,31.08374443,0,0,0,6.9650796,7.228917263,7.055056667,7.039906489,6.895872,6.718464,0,0,0,1.147899033,1.554427386,1.169793123,1.069217965,0.741915752,0.444612905,0,0,0,167.4806632,146.1940762,159.3328839,159.9675164,170.7864946,184.917652,0,0,0,1.677777778,2.058479532,1.592592593,1.711111111,1.444444444,1,0,0,0,0.027594054,-0.007043022,0.002962385,-0.012271457,-0.016759411,0.019314479,0,0,0,508.4772378,-59.32234441,29.05584216,-332.9315247,-283.2944611,392.2538692,0,0,0,945.5351364,-110.3124326,54.03057923,-619.100387,-526.7981474,729.4128195,0,0,0,0.0996072,-0.01162084,0.00569184,-0.065219,-0.05549544,0.07683984,0,0,0,4.226981996,-0.4931479,0.241541828,-2.767666783,-2.355032827,3.260814683,0,0,0,22.96103329,-2.678787217,1.312059045,-15.03400989,-12.79257569,17.71279711,0,0,0,3.133333333,-1.876666667,1.093333333,-0.083333333,-2.66,1.96,0,0,0,0.001379703,-3.71E-04,8.23E-05,-2.73E-04,-3.10E-04,5.37E-04,0,0,0,25.42386189,-3.122228653,0.807106727,-7.398478328,-5.246193723,10.89594081,0,0,0,47.27675682,-5.805917504,1.500849423,-13.75778638,-9.755521249,20.26146721,0,0,0,0.00498036,-6.12E-04,1.58E-04,-0.001449311,-0.001027693,0.00213444,0,0,0,0.2113491,-0.025955153,0.006709495,-0.061503706,-0.043611719,0.090578186,0,0,0,1.148051665,-0.140988801,0.036446085,-0.334089109,-0.23689955,0.492022142,0,0,0,0.156666667,-0.09877193,0.03037037,-0.001851852,-0.049259259,0.054444444,0,0,0,-0.268670478,0.059642171,-0.197650581,-0.224946633,0.388861534,0,0,0,-0.122807018,0.031746032,-0.291005291,-0.206349206,0.428571429,0,0,0,-0.122807018,0.031746032,-0.291005291,-0.206349206,0.428571429,0,0,0,-0.122807018,0.031746032,-0.291005291,-0.206349206,0.428571429,0,0,0,-0.122807018,0.031746032,-0.291005291,-0.206349206,0.428571429,0,0,0,-0.122807018,0.031746032,-0.291005291,-0.206349206,0.428571429,0,0,0,-0.630459127,0.193853428,-0.011820331,-0.314420804,0.34751773,0,0,0,1.809873071,0.956540033,1.346942481,1.121565904,0,0,0,0,1.666666667,1.130952381,1.407407407,1.005291005,0,0,0,0,1.666666667,1.130952381,1.407407407,1.005291005,0,0,0,0,1.666666667,1.130952381,1.407407407,1.005291005,0,0,0,0,1.666666667,1.130952381,1.407407407,1.005291005,0,0,0,0,1.666666667,1.130952381,1.407407407,1.005291005,0,0,0,0,2.234042553,0.617612293,1.1678487,1.34751773,0,0,0,0,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,20,10,14.56155281,20,3.333333333,10.00010414,-1.78E-15,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,27.43671497,13.60724638,20.69276325,27.28856682,4.548094471,13.6072487,-0.222222222,0,0,0,13.73763424,2.289605707,1.572083455,0,11.89,12.11007471,-0.163517376,0.057321995,5.749051625,7.648565496,5,19,19,19,5,0,0,0,0,0,15.304898,3.512766786,2.871866666,2.333552793,2.333552793,1.491291468,0.839455485,0.083923071,0.083923071,1.914834965,1.536478099,1.249629723,1.249629723,0.628641045,0.299734013,0.083923071,0.083923071,3.539373167,2.91948901,2.405454588,2.405454588,1.584452965,0.969374948,0.270913902,0.270913902,1.85520549,1.445894467,1.134540686,1.134540686,0.491830665,0.136103862,0.270913902,0.270913902,3.657377608,3.125257702,2.704236987,2.704236987,1.965177229,1.478968236,0.943918427,0.943918427,1.681111762,1.165396028,0.76031856,0.76031856,0.035277323,0.430678044,0.943918427,0.943918427,3.559031887,2.954421258,2.457539916,2.457539916,1.651626284,1.061748034,0.399277246,0.399277246,1.817335127,1.386951568,1.058262671,1.058262671,0.400279674,0.025152113,0.399277246,0.399277246,3.715368235,3.222531966,2.838982085,2.838982085,2.13284465,1.693474229,1.207644823,1.207644823,1.627333109,1.073816082,0.631337262,0.631337262,0.12661656,0.640892843,1.207644823,1.207644823,3.526659613,3.033678287,2.598486893,2.598486893,1.687769814,1.13070709,0.5625,0.5625,1.836166495,1.291912864,0.910986893,0.910986893,0.328218881,0.077483438,0.5625,0.5625,0,0,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0.666666667,0,0.333333333,0,0.666666667,0,0.333333333,0,1.333333333,0,0,1.333333333,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,9.792794627,19.21485798,18.07843137,18.32,11.58988144,154.455091,0.489639731,0.960742899,0.903921569,0.916,0.579494072,7.722754551,2.2984,29.676,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,8.962962963,0,0,0,0,0,1.703703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.240740741,0,0,0,0,0,0.851851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.240740741,0,0,0,0,0,0.851851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.66666667,1.777777778,0.2,2.240740741,0.2,0.851851852,4.596074074,0.481481481,0.240740741,1.925925926,0.481481481,0.240740741,1.925925926,3,0.5,0,0,0.42,0.7,0.42,0.42,0.7,0,0,0,0,0.71429,0,0,0.66667,0.33333,0,2.5,0.41667,2.5,0.41667,0,0,-2.5,-0.41667,0,0,6.13075,1.02179,6.13075,0,0,2.64272,0.44045,2.64272,0,0,0.27128,0.04521,0.27128,0.04521,0,5,0,0,0,0,0,0,1,0.881290899,1.156779649,1.570950594,1.570950594,1.238757785,0.442179356,17.62581798,23.13559299,31.41901189,31.41901189,24.7751557,8.84358713,0.203911514,0.267653608,0.363483742,0.363483742,0.286621563,0.102310669,3.440637196,3.165148445,2.7509775,2.7509775,3.08317031,3.879748738,0.207463733,0.27231624,0.369815772,0.369815772,0.291614624,0.104092962,6.616095946,9.921960949,10.33937279,10.33937279,6.353059081,0.445639424,23.80204551,20.17438566,21.10210647,21.10210647,17.11579275,5.306152278,6,2.222222222,3,6,0,4,2.12,0.954,2.289428485,0,5.656854249,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.121,0.104,0.049,0.01,2.312,6,4,0,0,0,0,0,0,0,21,1.791759469,1.945910149,1.609437912,0,0,0,0,0,0,0,3.091042453,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,5,1,0,2,3,0.5,2,0.888888889,0,0,0,0,0,0,0,0,0.4,0.148148148,0,0,0,0,0,0,0,0,0.548148148,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,0,112.3323665,3.584962501,3.135494216,3.761200116,4.465908119,5.141663557,5.837730447,6.52649486,7.220373837,7.912423121,8.605753368,63.60704164,2.397895273,0,3.555348061,0,4.875197323,0,6.244166901,0,7.626082758,7.917536354,86.10955045,4.305477522,10.52364588,1.75394098,0,0,0,29,4,3.632,22,1.220894737,2.102277173,2.89859324,3.47334354,4.115165053,0,0,0,0,0,67.74862772,73.47135818,66.05620195,22.07028228,4.181271064,0,0,0,0,0,263.8372191,318.2040354,359.7349777,247.8091267,127.9147388,0,0,0,0,0,8.859366903,14.89518524,20.44560421,24.00283269,27.64758826,0,0,0,0,0,2.030985313,2.627636527,3.206787562,2.662562765,1.829655488,0,0,0,0,0,176.3944505,330.3755672,460.8234501,589.1298589,760.9666592,0,0,0,0,0,2.559625731,3.497124995,5.089937611,5.145068617,4.115165053,0,0,0,0,0,0.422269342,0.554342331,0.68472227,0.585699749,0.421392901,0,0,0,0,0,341.5644253,115.1736308,8.129582118,112.4603776,-37.92101593,-6.373387515,229.1040477,153.0946467,14.50296963,0.752303449,0.253672553,0.01790559,0.247696551,-0.083521904,-0.014037532,155.0787209,52.29168502,3.691031919,51.05980078,-17.21708178,-2.89367601,0.087844528,0.184849795,1.476908679,9.07452503,454.0248029,0,1,0,310.4078457,17.6183951,6.770866172,446.0263509,21.11933595,7.640471717,503.5591896,22.44012455,7.95579362,1.095700112,1.095700112,255.679439,164.7124546,118.6666439,1.55227751,2.154602428,1.388026569,3.532260473,3.220218461,5.261260744,0.633821061,3.904607748,4.742636052,2.408522585,18.69618632,4.510970233,1.635278887,6.001064432,13.31635606,3.754449779,0.01337715,7.94E-24,9.09E-67,2.01E-131,8.55E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,4.742376457,0.139023705,6.586708969,1.027368117,0.01558003,0.497688558,0.642336396,0.026442897,9.42E-05,5.59E-26,6.40E-69,1.41E-133,6.03E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,4.742394355,0.490368403,8.371590147,1.27629144,0.130407557,1.412112496,2.386671638,0.275555372,9.82E-04,5.83E-25,6.67E-68,1.47E-132,6.28E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,4.742607746,2.229996002,17.71184279,4.134211783,1.4597836,5.59023834,12.24234147,3.34514716,0.0119188,7.08E-24,8.10E-67,1.79E-131,7.62E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,4.74241706,0.764783446,9.800816279,1.584392628,0.273304842,2.101872218,3.834318875,0.59854309,0.002132616,1.27E-24,1.45E-67,3.20E-132,1.36E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,4.742754953,3.114477054,22.61668698,6.091573284,2.371735558,7.606091609,17.63144173,5.475512154,0.019509317,1.16E-23,1.33E-66,2.93E-131,1.25E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.35322342,3.734703825,0.984485015,11.91723254,2.396995125,0.533363303,3.389934893,6.470975941,1.187931375,0.004232614,2.51E-24,2.88E-67,6.35E-132,2.71E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.353508434,1.82696324,0.547657828,0.497767338,0.386402961,0.595617779,0.646277336,0.461231332,4.728129502,6.58924143,13.67217549,0.326255448,1.703126448,1.751870811,1.217133898,0.160766133,0.559744115,0.388889142,0.332177479,0.286837563,0.040820821,3.129770842,2.609576755,6.082143008,0.422949886,0.659835863,2.002531867,1.471359938,0.3222038,0.527524087,0.38759823,0.432713285,0.419176727,0.162096932,3.796095606,4.065746306,8.81119774,0.372683475,1.013986944,2.339742386,1.813022796,0.538826507,0.498709722,0.386440875,0.58874169,0.636452266,0.446733762,4.691591689,6.47962624,13.45692336,0.327725895,1.671927718,2.109123706,1.579398549,0.390741833,0.517035343,0.387177323,0.479456928,0.482995158,0.237266936,4.079264088,4.772406869,10.15328941,0.356318998,1.199719023,2.39626597,1.870259062,0.575082531,0.494931888,0.386288859,0.617228405,0.677271566,0.507676046,4.841607563,6.935242158,14.35416153,0.32183112,1.802176018,2.345528543,1.818407862,0.538649062,0.498774251,0.386682576,0.591554415,0.640238681,0.446069402,4.702585468,6.508027983,13.5080204,0.32818524,1.677862498 +UMLYSI0220,L,1-tert-butoxy-2-propanol,CC(COC(C)(C)C)O,other multi-oxygen compounds,C7H16O2,57018-52-7,92629,PubChem,,44,0,0.4317,0.18636489,37.693,24.592688,0,0,25,9,16,0,7,0,2,0,0,0,0,0,0,0,1538.041873,1495.545884,2141.714843,1600.081114,1066.052281,1221.28689,408.536352,36.578304,0,3894.739777,4828.835891,6534.613569,6727.783454,5341.819782,4574.032473,3427.345319,1119.0148,0,186.982468,184.03988,334.659164,428.102032,447.264364,287.537664,295.17696,241.864704,0,27.92251448,35.20045264,48.29506499,53.89303759,49.34601129,38.20446125,32.19885853,16.00606457,0,4217.145497,3576.024258,7116.597368,8867.550889,10878.0894,6618.891553,6546.49086,6657.035473,0,85.84027778,64.125,112.2916667,160.1666667,96.75,89,105,36,0,61.52167492,62.31441183,48.67533734,29.63113174,16.92146478,30.53217225,10.47529108,1.016064,0,155.7895911,201.2014955,148.5139447,124.5885825,84.79079019,114.3508118,87.88064921,31.08374443,0,7.47929872,7.668328333,7.605890091,7.927815407,7.099434349,7.1884416,7.56864,6.718464,0,1.116900579,1.466685527,1.097615113,0.998019215,0.78327002,0.955111531,0.825611757,0.444612905,0,168.6858199,149.0010108,161.7408493,164.2139054,172.6680857,165.4722888,167.85874,184.917652,0,3.433611111,2.671875,2.552083333,2.966049383,1.535714286,2.225,2.692307692,1,0,0.374106201,-0.163144136,-0.005811164,-0.005762061,-0.064977294,0.102141536,-0.116263148,0.066763166,0,838.9365446,-35.45538861,269.4838783,-987.1396339,305.1635199,220.9691888,-851.9892165,659.4993797,0,1134.674563,-131.6202799,170.7875178,-1040.445826,494.7295224,74.372046,-1010.841328,875.681066,0,2.01158784,-0.093433126,-0.053425798,-0.886354534,0.118681843,0.316800576,-0.99862439,0.59056151,0,4.95409783,-0.870588818,-0.422179236,-2.470478772,2.009011065,-0.604487619,-3.181830538,3.063505002,0,27.60529256,-5.272340698,-4.450092893,-9.887809339,10.58207382,-4.812893841,-15.31754912,15.35596579,0,29.34,-6.912511111,6.026044444,-14.82634444,2.731533333,12.53044444,-23.33956667,9.1204,0,0.014964248,-0.006797672,-1.32E-04,-1.07E-04,-0.001031386,0.002553538,-0.002981106,0.001854532,0,33.55746179,-1.477307859,6.124633597,-18.28036359,4.843865395,5.52422972,-21.84587735,18.31942721,0,45.38698252,-5.484178328,3.881534495,-19.26751529,7.852849561,1.85930115,-25.91900841,24.32447406,0,0.080463514,-0.003893047,-0.001214223,-0.016413973,0.001883839,0.007920014,-0.025605754,0.016404486,0,0.198163913,-0.036274534,-0.009594983,-0.045749607,0.031889065,-0.01511219,-0.081585398,0.085097361,0,1.104211702,-0.219680862,-0.101138475,-0.18310758,0.167969426,-0.120322346,-0.39275767,0.426554605,0,1.1736,-0.288021296,0.136955556,-0.274561934,0.043357672,0.313261111,-0.598450427,0.253344444,0,-0.45426087,-0.008825831,-0.007130651,-0.068923318,0.170642613,-0.199215246,0.123930878,0,-0.04402323,0.182511825,-0.544748101,0.144345404,0.164620011,-0.650999098,0.545912183,0,-0.120831525,0.085520876,-0.424516331,0.173019864,0.040965516,-0.57106701,0.535935035,0,-0.048382761,-0.015090351,-0.203992743,0.023412336,0.098429885,-0.318228132,0.203874845,0,-0.183053178,-0.048419425,-0.230867498,0.160922663,-0.076261062,-0.411706638,0.429429152,0,-0.198948138,-0.091593373,-0.165826517,0.152117049,-0.108966737,-0.355690552,0.386297849,0,-0.245416919,0.116696963,-0.233948478,0.036944165,0.266923237,-0.509927085,0.215869499,0,1.405489688,1.104709772,1.716224615,0.659153626,0.379056102,1.4995323,0.272616836,0,1.244690472,0.919260313,1.762982657,0.647504699,0.709744469,1.674265041,0,0,1.570364139,1.029738553,1.442331862,0.66648459,0.979677723,1.485671942,0,0,0.983545417,1.184069776,2.030729228,0.541178361,0.425462107,1.62881386,0,0,1.753590442,1.193755538,1.264995146,0.650902666,1.111992204,1.322879275,0,0,1.787357076,1.247711129,1.233027599,0.641913662,1.131821639,1.279672408,0,0,1.203325002,0.817866807,1.657819772,0.375050043,0.534253579,2.579833255,0,0,39.20212325,19.85106162,29.99344667,39.59101213,4.399001348,19.85106163,0.5,0.080240091,0.008915566,-2.270458804,35.23308935,3.914787705,3.205787111,39.21890057,19.85871587,30.00691394,39.60664703,4.400738559,19.85871587,0.498531158,0.080236434,0.008915159,-2.270499821,35.22600937,3.914001041,3.205606241,54.13682605,26.66941855,42.10390711,53.51616797,5.946240886,26.66941855,-0.797988956,0.087718264,0.009746474,-2.190262627,33.15014832,3.683349814,3.150942472,39.23650888,19.86674924,30.02104878,39.62305634,4.402561816,19.86674925,0.4969896,0.080232659,0.00891474,-2.270542159,35.21860763,3.913178626,3.205417112,69.99851402,33.91696275,55.07804285,68.31494517,7.590549463,33.91696275,-2.164588529,0.099153394,0.011017044,-2.079978473,33.00323074,3.667025638,3.146944912,40.96002808,20.65314823,31.40708672,41.22934793,4.581038659,20.65314823,0.346268372,0.080145103,0.008905011,-2.271524846,34.61584729,3.846205255,3.189880432,42.00396119,21.47214783,32.31820209,42.73533245,4.748370272,21.47214783,0.940334467,0.090637624,0.010070847,-2.160797284,49.50215701,5.500239668,3.51181462,0,11.89,15.99591816,-0.390487907,0.132441688,4.46358891,8.019951981,8,24,24,24,8,0,0,0,0,0,19.407312,3.548429933,3.274313901,2.467821034,2.333552793,2.333552793,2.093533295,1.355971223,0.892488463,1.835754297,1.689080454,1.249629723,1.249629723,1.175164141,0.676062382,0.295126374,0.083923071,3.490958199,3.257805582,2.439355121,2.405454588,2.405454588,1.868113288,1.200231911,0.95671616,1.820981368,1.64778028,1.134540686,1.134540686,1.100675811,0.719890156,0.174627351,0.034942423,3.659352905,3.430524736,2.740308928,2.704236987,2.704236987,2.374262335,1.685147892,1.490383957,1.612884225,1.417793498,0.76031856,0.76031856,0.733766964,0.175063046,0.412439322,0.528005357,3.487815228,3.267801281,2.463093235,2.457539916,2.457539916,1.825440494,1.183264329,1.0198572,1.813887597,1.620464458,1.058262671,1.058262671,1.051215599,0.737223177,0.100047501,0.032431834,3.692157846,3.486295641,2.839126921,2.838982085,2.838982085,2.434222157,1.785458145,1.662354317,1.574422981,1.362049591,0.631337262,0.631337262,0.631207341,0.095169151,0.548215774,0.672014524,4.198497367,3.635691617,3.035471195,2.737433265,2.625069193,2.625069193,1.786938087,1.2518972,1.678272905,1.508960958,0.887138158,0.887138158,0.876238646,0.170019139,0.296138434,0.374183105,0,0,0,0,0,5,1,1,0,0,0,0,0,0,0,0,0,0,0,1.968908462,0.353553391,0,0,1.294946622,0.204124145,0,0,1.038675135,0.827350269,1.443375673,0.507548301,0.431605367,0.556940131,7.491563832,3.916502219,4.493182156,1.471687836,0.721687836,0.866025404,0,0,0.832395981,0.489562777,0.408471105,0.245281306,0.144337567,0.144337567,0,0,6.639918936,3.236596729,3.272398036,0.757548301,0.370601133,0.361803399,0,0,0.737768771,0.404574591,0.297490731,0.12625805,0.074120227,0.060300566,0,0,12.76422064,24.76402039,23.50196078,23.88,14.34891497,193.792388,0.510568826,0.990560816,0.940078431,0.9552,0.573956599,7.751695521,1.1823,37.3858,22.46618013,34.61684475,44.93236025,4.992484473,22.46618013,0.081446694,0.009049633,-2.257025885,33.80823996,3.756471107,3.168634103,65,1,0,2,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,4,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.604444444,0,14.03143519,0,0,3.167736626,0,0,0,0,0,0,0,0.604444444,0,0,0,0,0,0,0,0,0,0,0,0,0,2.5125,0,0,0,0,0,0,0,0,0,0,0,7.616944444,0,0.420138889,0,0,0,-0.357199074,0,0,0,0,0,-0.127986111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.790694444,0,5.240740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.604444444,0,5.240740741,0,0,3.167736626,0,0,0,0,0,0,0,0.604444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0.338888889,0,0,0,0,0,0,0,0,0,0,0,1.714027778,0,0.420138889,0,0,0,-0.357199074,0,0,0,0,0,-0.127986111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.790694444,0,5.240740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.604444444,0,8.790694444,0,0,3.167736626,0,0,0,0,0,0,0,0.604444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561111111,0,0,0,0,0,0,0,0,0,0,0,1.967638889,0,0.420138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.790694444,0,5.240740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.58333333,2.398148148,0.604444444,8.790694444,-0.006944444,-0.357199074,3.309860741,1.690532407,2.790694444,9.06287037,1.690532407,2.790694444,9.06287037,4.16666,0.46296,0,0.03704,0.50533,0.87037,0.42414,0.50533,0.81333,0.0812,0,-0.0812,0.05704,0.53191,0.18238,0,0.56,0.12,0.12,4.75,0.52778,4.75,0.52778,0,0,-4.75,-0.52778,0,0,9.08167,1.00907,11.22291,2.14124,0.23792,3.16349,0.3515,3.91649,0.75301,0.08367,0.49751,0.05528,0.49751,0.05528,0,8.02,2,2,2,2,1,1,1,1.217796812,1.979721832,2.652878689,3.042292189,3.042292189,2.670783694,30.44492029,49.49304581,66.32196723,76.05730473,76.05730473,66.76959235,0.26223827,0.426309892,0.571266331,0.655121964,0.655121964,0.575121964,3.426059378,2.664134357,1.9909775,1.601564001,1.601564001,1.973072496,0.265606711,0.431785829,0.578604228,0.663536984,0.663536984,0.582509387,11.24859016,18.33845066,20.44370877,20.83616944,20.83616944,15.63599514,32.85447821,23.28649678,21.09113341,20.86864454,20.86864454,18.26808507,9,3.239669421,8,9,0,3,2.01,1.2123,1.897366596,1.475575893,1.414213562,2.828427125,0,1,0.5,0,0.333333333,0,0,0.333333333,0,0,0,0,0,0,0,0.259,0.665,0.668,0.449,0.212,3.765,11,6,5,6,0,0,0,0,0,45,2.197224577,2.48490665,1.945910149,1.791759469,1.945910149,0,0,0,0,0,3.828641396,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.375,8,1,0,3,5,0.666666667,4,0.888888889,0.375,0.48,0,0,0,0,0,0,0.5,0.080808081,0.0625,0.096,0,0,0,0,0,0,0.739308081,22.46618013,34.61684475,44.93236025,4.992484473,22.46618013,0.081446694,0.009049633,-2.257025885,33.80823996,3.756471107,3.168634103,29.46,147.2088045,4.169925001,3.663561646,4.290459441,5.129898715,5.796057751,6.624065228,7.311218384,8.128290172,8.82834762,9.637501738,76.4094007,2.833213344,0,4.110873864,0,5.501258211,0,6.936342736,0,8.397733751,8.664578178,132.1150298,5.28460119,16.2720936,1.8080104,5.192113542,5.192113542,0,98,6,1.071,38,1.227416667,2.110876884,2.893487601,3.409645432,4.172898448,5.298786763,5.853796275,0,0,0,88.50551999,115.3494779,90.51495589,68.96090231,150.0826871,56.28607289,5.947831659,0,0,0,270.4644226,339.2914753,370.8465602,316.2849034,540.3383346,475.6768429,181.9579074,0,0,0,9.473927164,16.20359138,22.96642712,24.38690528,30.29143695,39.98779502,39.32851954,0,0,0,1.915212968,2.446952617,2.941817141,2.812607186,4.369239776,4.475632691,2.602673366,0,0,0,180.888566,337.6436294,473.7018199,585.6569634,677.3092668,884.3536017,1082.470263,0,0,0,3.351128472,5.732645248,8.638443505,5.467402803,10.08603526,14.09768361,5.853796275,0,0,0,0.437584963,0.59493531,0.725304819,0.643484528,1.004207368,1.075663141,0.599428739,0,0,0,421.30469,382.8032913,22.6715664,124.2525502,-112.8975924,-18.2289434,297.0521398,495.7008837,40.9005098,0.772246538,0.701673927,0.041556714,0.227753462,-0.206939958,-0.033413439,229.8458239,208.8411071,12.36863719,67.78687836,-61.59209893,-9.944932052,0.231357443,0.429685011,10.10313043,12.22470434,462.6729202,82.88431991,0.848074017,0.151925983,603.4475424,24.56516929,8.450450088,766.7840157,27.6908652,9.152878212,1120.469525,33.4734152,10.3864392,1.655452762,1.655452762,631.2315348,587.9607843,166.4024813,1.07359462,3.793402176,3.533365486,4.336039794,4.23432431,7.397331093,0.746992094,4.897845903,6.971592119,5.66449329,16.33458134,10.7510182,4.384481052,8.076109075,10.3543545,7.458284187,6.198073981,7.607536295,4.980102663,0.627979847,0.697050543,3.37E-16,3.13E-53,5.63E-112,1.95E-192,1.30E-294,0,0,0,0,0,0,0,0,0,0,0,0.430947557,6.279449547,0.42858592,6.667615504,0.542463105,1.060970367,2.198630188,0.789833085,3.221772755,0.368818539,1.221957854,0.060654418,0.004425497,0.004909384,2.37E-18,2.21E-55,3.96E-114,1.37E-194,9.18E-297,0,0,0,0,0,0,0,0,0,0,0,1.27170148,5.642460498,1.079250877,7.135662552,1.67092121,1.505169031,2.197231348,1.943668925,3.315446455,1.168143282,2.110897555,0.431229135,0.046096804,0.051159566,2.47E-17,2.30E-54,4.13E-113,1.43E-193,9.56E-296,0,0,0,0,0,0,0,0,0,0,0,4.846125139,7.233417444,5.967140622,16.3121784,10.5011391,4.473383593,7.726649182,10.24722239,7.870660726,5.986690035,7.076266066,4.454794572,0.559520517,0.621059484,3.00E-16,2.79E-53,5.02E-112,1.74E-192,1.16E-294,0,0,0,0,0,0,0,0,0,0,0,1.80735307,5.466130981,1.454550129,7.873721582,2.549736912,1.787130648,2.573529222,2.798731888,3.512795293,1.760902176,2.842605041,0.873742913,0.100122062,0.111125414,5.37E-17,5.00E-54,8.97E-113,3.11E-193,2.08E-295,0,0,0,0,0,0,0,0,0,0,0,6.095488444,7.70754831,7.765417831,20.11580535,14.87993143,5.621856002,10.90775583,13.98882942,9.248870396,8.260842516,9.765968221,7.179579614,0.915841163,1.016582706,4.91E-16,4.57E-53,8.21E-112,2.84E-192,1.90E-294,0,0,0,0,0,0,0,0,0,0,0,4.090368375,6.49942957,4.517568188,15.28581385,6.419702283,3.516253267,5.311440868,7.915597296,10.33426239,4.118860705,4.712389328,1.782984228,0.210761612,0.233930494,1.13E-16,1.05E-53,1.89E-112,6.54E-193,4.37E-295,0,0,0,0,0,0,0,0,0,0,0,5.17152459,1.187320224,0.97259852,0.705389697,0.161949042,0.586183849,0.495819637,0.444761345,7.331443334,12.32485879,25.62830577,0.558084545,1.526764831,4.010585542,0.850531244,0.473358596,0.751823798,0.159440467,0.365241356,0.259481081,0.104690564,5.334475382,5.712179725,12.66134201,0.627735697,0.729413001,4.583095622,0.922335699,0.707711715,0.737645278,0.148449133,0.462480708,0.304696961,0.239699314,6.213143036,8.123410945,17.32815947,0.606467917,1.006876983,5.073187172,1.186039596,0.944452237,0.704249477,0.164643593,0.565934418,0.504720354,0.42306609,7.203679005,11.92854159,24.81499052,0.556374216,1.493720862,4.845525739,0.975435505,0.807115565,0.731060589,0.1471672,0.51413221,0.32766499,0.308231513,6.628076809,9.424686271,19.86759306,0.596590884,1.150028714,5.222389042,1.224439731,0.999933683,0.70129658,0.164425781,0.598004538,0.529796379,0.470057096,7.446762455,12.84090187,26.68174089,0.55194487,1.597858013,5.125577551,1.195129108,0.951770489,0.704791153,0.164335904,0.577499466,0.511801894,0.429245619,7.272477148,12.14158899,25.24435225,0.557186729,1.518546979 +UMLYSI0221,L,4-octanol,CCCCC(CCC)O,saturated alcohols,C8H18O,589-62-8,11515,PubChem,,43.8,0,-1.8481,3.41547361,32.3179,26.884274,0,0,27,9,18,0,8,0,1,0,0,0,0,0,0,0,1428.370121,1423.960324,1628.321952,1514.406695,1320.698158,958.995456,540.868946,284.640217,84.835296,4164.033391,5299.883923,6897.857109,6935.67865,6022.131538,4878.270193,3497.966318,2161.47421,1061.424631,194.608196,193.288408,355.096464,475.548908,432.8194,369.770952,298.065224,206.367652,123.32736,30.95743629,40.32666126,57.13037493,60.60817824,52.9204881,43.76331863,33.66675251,22.37198829,12.01662072,4528.323871,3829.171409,7727.285126,11025.19369,10100.99149,8622.082183,7174.168102,5171.455222,3137.747111,75.02777778,59.08333333,94.16666667,123.5,116.8333333,103.25,71,40,24,52.90259707,54.76770477,33.23106024,22.94555598,22.01163597,18.80383247,12.87783205,9.488007233,4.713072,154.2234589,203.8416894,140.7725941,105.0860401,100.368859,95.65235673,83.28491234,72.04914032,58.96803508,7.207710963,7.434169538,7.246866612,7.205286485,7.213656667,7.250410824,7.096791048,6.878921733,6.85152,1.146571714,1.551025433,1.165926019,0.918305731,0.882008135,0.858104287,0.801589346,0.745732943,0.66759004,167.7156989,147.2758234,157.6996964,167.0483893,168.3498582,169.060435,170.8135262,172.3818407,174.3192839,2.778806584,2.272435897,1.921768707,1.871212121,1.947222222,2.024509804,1.69047619,1.333333333,1.333333333,0.234108115,-0.111414504,-0.008058161,-0.003271671,0.016129003,-0.015734663,-0.012534335,0.014799913,-0.001733824,800.2177743,-66.87771673,-207.1675175,-42.44970921,1.025096527,-164.1172239,-115.6903725,54.01129867,10.14379802,1266.51806,-76.37381503,-471.3286346,-79.57892212,-11.34326908,-148.8315609,-83.43333133,50.36695239,-18.7192852,1.122666963,-0.081912483,-0.010208192,-0.116476724,-0.104999177,-0.278725745,-0.168676016,0.083265597,0.051430914,5.603020215,-0.228978216,-2.374862805,-0.434691091,-0.169919844,-0.314861984,-0.033979965,0.108469886,-0.174904422,30.80423065,-1.077902146,-13.36081413,-2.554351645,-1.186152724,-1.2089382,0.345696902,0.417659667,-1.087798145,24.77983539,-3.484491693,-0.628219784,-3.319844536,-0.689757659,-3.738454504,-3.626657522,1.701417467,0.202331962,0.008670671,-0.004285173,-1.64E-04,-4.96E-05,2.69E-04,-3.09E-04,-2.98E-04,4.93E-04,-9.63E-05,29.63769534,-2.572219874,-4.227908521,-0.643177412,0.017084942,-3.217984783,-2.754532679,1.800376622,0.563544335,46.90807629,-2.937454424,-9.618951727,-1.205741244,-0.189054485,-2.918265899,-1.986507889,1.678898413,-1.039960289,0.041580258,-0.00315048,-2.08E-04,-0.001764799,-0.001749986,-0.005465211,-0.004016096,0.00277552,0.002857273,0.207519267,-0.008806854,-0.048466588,-0.006586229,-0.002831997,-0.006173764,-8.09E-04,0.003615663,-0.009716912,1.140897431,-0.041457775,-0.272669676,-0.038702298,-0.019769212,-0.023704671,0.008230879,0.013921989,-0.06043323,0.917771681,-0.134018911,-0.012820812,-0.050300675,-0.011495961,-0.073303029,-0.086348989,0.056713916,0.011240665,-0.494214722,-0.018966499,-0.005717063,0.031002989,-0.035582345,-0.034419085,0.056896453,-0.011109123,-0.086788795,-0.14265308,-0.02170133,5.76E-04,-0.10857743,-0.092940178,0.060746175,0.019014445,-0.062621507,-0.205059608,-0.025704342,-0.004030318,-0.06221244,-0.042348952,0.035791244,-0.022170176,-0.075768652,-0.005010321,-0.042443192,-0.042086951,-0.131437633,-0.096586597,0.066750906,0.068717058,-0.042438731,-0.233552231,-0.031737914,-0.013646913,-0.029750319,-0.003898659,0.017423264,-0.046824145,-0.036337863,-0.238995784,-0.033922679,-0.017327773,-0.020777214,0.00721439,0.012202665,-0.052969906,-0.146026418,-0.0139695,-0.054807395,-0.012525949,-0.07987066,-0.094085479,0.061795234,0.012247779,1.443194435,0.761896789,1.035413632,1.212188828,1.474629885,1.131704203,0.324425634,0.144716832,1.436331741,1.249070292,1.00388928,0.973159058,1.09571921,0.963200446,0.655595751,0.655595751,1.557444022,1.399522649,0.972936979,0.916178057,0.951789309,0.886462812,0.770263098,0.770263098,1.049055543,0.818731327,1.188997203,1.289588852,1.569891719,1.030932371,0.091540356,0.091540356,1.595649943,1.454203437,0.975423716,0.917293906,0.908367137,0.836987759,0.778360908,0.778360908,1.598755806,1.461212418,0.979976613,0.924164525,0.905541027,0.823992389,0.769048747,0.769048747,1.128830026,0.809532847,1.193643233,1.259088267,1.530999214,1.036749268,0.096180354,0.17487337,48.984392,24.617196,37.90037073,49.17883644,5.46431516,24.617196,0.25,0.050051839,0.005561315,-2.695226435,41.53039676,4.614488529,3.35378305,48.98745056,24.61835807,37.90155272,49.18132379,5.464591532,24.61835807,0.249265579,0.050037908,0.005559768,-2.695476969,41.52987338,4.614430376,3.353771708,51.78883604,25.69492078,38.99980053,51.478507,5.719834111,25.69492078,-0.398994478,0.036461282,0.004051254,-2.980353922,41.03240367,4.559155963,3.342925879,48.99066085,24.61957782,37.90279339,49.18393458,5.46488162,24.61957782,0.2484948,0.050023284,0.005558143,-2.695740031,41.52932399,4.614369332,3.353759802,54.92321802,26.92046188,40.26164853,54.0814336,6.009048177,26.92046188,-1.082294264,0.017601107,0.001955679,-3.635814108,40.46277026,4.495863363,3.330344069,49.30604389,24.73958904,38.02489722,49.44070381,5.493411534,24.73958904,0.173134186,0.048579369,0.005397708,-2.722100711,41.47508959,4.608343288,3.352583697,54.05114668,27.31463584,43.0580695,54.50079946,6.055644384,27.31463584,0.578125,0.042255794,0.004695088,-2.847612427,40.01055567,4.445617297,3.32022898,0,11.89,15.99491664,-0.392493547,0.055165171,4.974704931,7.640948582,8,26,26,26,8,0,0,0,0,0,19.677726,3.53092992,3.240809199,2.916204719,2.452426645,2.093116746,1.786321901,1.407488892,1.245005427,1.90110108,1.752578086,1.490705782,1.210146004,0.93445252,0.727645995,0.594094893,0.54768873,3.531607066,3.273524742,2.923917669,2.478177714,2.063544228,1.756632916,1.456385633,1.351017383,1.855368617,1.680958375,1.423010147,1.116262866,0.843478278,0.656967498,0.482645473,0.419732613,3.667847684,3.431238948,3.136265309,2.746825271,2.428511742,2.191075282,1.922046323,1.817548207,1.670293097,1.459663974,1.144985101,0.773485215,0.42085335,0.158263908,0.051155917,0.114147712,3.545098227,3.299045425,2.947582406,2.514745492,2.099467769,1.780990688,1.506737127,1.423997654,1.82741788,1.634976539,1.38067028,1.057060367,0.794456619,0.604055935,0.397119301,0.319121757,3.718498682,3.505307607,3.216521467,2.855137297,2.541615981,2.321231548,2.095387563,2.011558325,1.620248319,1.390070934,1.065362775,0.666317097,0.295812884,0.025345441,0.218070755,0.299125928,4.401870029,3.446439599,3.354967152,2.919166757,2.571419203,2.129697136,1.752404517,1.582183026,1.764392567,1.54531837,1.206732091,0.876315315,0.563614183,0.304755938,0.163353315,0.00912898,0,0,0,0,0,2,6,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.129099445,0,0,0,0.40824829,0.49279928,0.390737207,0.182574186,0.220386538,0.174742991,7.112884175,4.308060412,3.036075375,1.83195123,1.189722705,0.594861352,0.204124145,0.102062073,0.790320464,0.538507552,0.379509422,0.261707319,0.198287117,0.148715338,0.102062073,0.102062073,6.560097771,3.988909033,2.584727166,1.512799851,0.917309963,0.4820243,0.204124145,0.102062073,0.728899752,0.498613629,0.323090896,0.216114264,0.152884994,0.120506075,0.102062073,0.102062073,13.59124934,26.32119446,24.87843137,25.24,15.66722994,208.6661222,0.503379605,0.974859054,0.921423384,0.934814815,0.580267776,7.728374895,2.3376,40.4398,25.02074591,38.31124324,50.04149182,5.560165758,25.02074591,0.045146306,0.005016256,-2.788062138,41.34668254,4.594075837,3.34979297,83,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.495,0,9.180277778,0,0,0,0,0,0,0,0,0,0,0.495,0,0,0,0,0,0,0,0,0,0,0,0,0,2.305,0,0,0,0,0,0,0,0,0,0,0,4.257769274,0,5.427739985,0,0,0,-0.032453704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.180277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.495,0,9.180277778,0,0,0,0,0,0,0,0,0,0,0.495,0,0,0,0,0,0,0,0,0,0,0,0,0,0.227777778,0,0,0,0,0,0,0,0,0,0,0,2.106315193,0,0.972222222,0,0,0,-0.032453704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.180277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.495,0,9.180277778,0,0,0,0,0,0,0,0,0,0,0.495,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.151454082,0,1.195212585,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.180277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.83333333,2.092592593,0.495,9.180277778,0.227777778,-0.032453704,4.441734175,1.365787037,3.180277778,6.876094104,1.365787037,3.180277778,6.876094104,4.33333,0.48148,0,0.01852,0.46173,0.78519,0.42414,0.46173,0.73667,0.03759,0,-0.03759,0.04852,0.61321,0.10108,0,0.30769,0.11538,0,4.25,0.47222,4.25,0.47222,0,0,-4.25,-0.47222,0,0,9.01007,1.00112,9.95878,0.9487,0.10541,4.02648,0.44739,4.30805,0.28157,0.03129,0.10595,0.01177,0.10595,0.01177,0,8.01,1,1,1,1,1,1,1,1.086048612,1.677239029,2.72788543,3.33767778,3.273406021,3.0982558,29.32331253,45.28545378,73.65290661,90.11730005,88.38196256,83.65290661,0.228406794,0.352740002,0.573701361,0.70194674,0.688429751,0.651593923,3.66883889,3.077648473,2.027002072,1.417209722,1.481481481,1.656631702,0.231052556,0.356825984,0.58034686,0.710077776,0.696404213,0.659141694,9.449442117,14.27535676,18.43224301,19.5537142,18.16779713,17.68394837,33.3868056,26.63963891,22.08787652,20.0986926,21.49663242,22.85145771,9,6.125,5.87755102,9,0,8,2.23,1.2945,0.142857143,3.439154016,0.577350269,0,4.508797714,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,4.388,8,7,6,4,2,1,0,0,0,45,2.197224577,2.197224577,2.079441542,1.945910149,1.609437912,1.098612289,0.693147181,0,0,0,3.828641396,1,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.625,8,1,0,4,7,0.75,1.5,0.666666667,0.375,0.16,0.055555556,0.040816327,0,0,0,0,0.1875,0.083333333,0.053571429,0.026666667,0.013888889,0.020408163,0,0,0,0,0.385368481,25.02074591,38.31124324,50.04149182,5.560165758,25.02074591,0.045146306,0.005016256,-2.788062138,41.34668254,4.594075837,3.34979297,20.23,155.7145624,4.169925001,3.496507561,4.143134726,4.844187086,5.517452896,6.228511004,6.910750788,7.624130586,8.309676896,9.023408203,73.09775975,2.833213344,0,3.891820298,0,5.117993812,0,6.424869024,0,7.773594467,8.08085642,130.1357652,4.819843155,16.65502353,1.85055817,2.468382615,2.468382615,0,108,7,2.807,32,1.227923077,2.12836763,2.854129696,3.545140508,4.763014187,5.768311855,6.98886415,8.284152283,9.473632882,0,78.91090558,79.25609825,75.8949341,97.68310491,105.1315837,88.11599906,77.35954841,42.1014707,9.625817321,0,276.4511081,320.994461,326.7759521,413.6226652,502.8833167,530.5146844,546.5151213,511.5622927,294.4759833,0,9.155826991,15.49897576,20.63882049,25.68283942,34.66092093,41.04197873,48.21927435,56.86908096,63.64826147,0,2.045513112,2.604009845,2.773760289,3.497583809,4.387001857,4.96664591,5.5088929,5.714834053,4.212099435,0,178.400665,332.276207,473.5103867,584.3323714,795.7894256,973.2186343,1193.760544,1435.321958,1751.841949,0,2.842817308,4.243103614,5.475454995,7.150259249,9.914348209,9.949971217,9.650719105,11.32122458,9.473632882,0,0.438605158,0.574675516,0.62741685,0.794377008,1.004432607,1.109821167,1.20321055,1.266198343,0.970100007,0,414.8547712,306.0890058,13.10292927,182.7468455,-134.8346557,-18.84711541,232.1079256,440.9236615,31.95004468,0.694199546,0.512195746,0.02192586,0.305800454,-0.225626324,-0.031537926,247.917882,182.9192847,7.830331714,109.2098103,-80.57740827,-11.26306664,0.284781918,0.531934128,3.320078573,12.6796126,562.1064876,35.49512915,0.940604028,0.059395972,532.2508829,23.07056313,8.104112543,714.9614284,26.73876266,8.941853238,904.6034071,30.07662559,9.671327122,2.808670285,2.808670285,1042.081182,992.3516223,92.26585823,1.050112842,11.29433142,10.75535026,4.697386088,5.645455692,10.06558281,0.782953115,5.455646818,7.022401722,3.874613231,25.48649375,12.1156521,0.687951795,4.626584977,11.01020404,14.98433386,2.144933407,2.705231838,12.11021002,4.449840321,5.026730647,2.706479734,1.089056456,0.142773617,0.63522528,2.008139858,1.27E-08,2.41E-38,8.76E-90,6.16E-163,8.34E-258,0,0,0,0,0,0,0.477759684,7.149147227,0.29300818,7.308909551,0.489105003,0.030457777,0.627687344,0.620669574,4.418275085,0.058056365,0.121443028,0.653630438,0.149674044,1.99652951,0.114384014,0.060782495,0.002820634,0.053296814,0.014143493,8.97E-11,1.69E-40,6.17E-92,4.34E-165,5.88E-260,0,0,0,0,0,0,1.422817417,6.912931885,0.875789348,8.396694722,1.249813801,0.083259992,1.364933001,1.901618204,5.769558338,0.259401637,0.318755866,2.311384526,0.630614633,2.614936034,0.443541096,0.213073955,0.012173464,0.172057337,0.147386104,9.35E-10,1.77E-39,6.43E-91,4.52E-164,6.12E-259,0,0,0,0,0,0,5.372643628,7.148922953,3.81477986,24.52166647,10.96175558,0.695305782,4.355259544,10.74717668,14.47818854,1.957045355,2.75733856,11.1680097,4.046207212,4.841180699,2.477059604,1.005728872,0.127408321,0.599591729,1.78921646,1.13E-08,2.14E-38,7.81E-90,5.49E-163,7.43E-258,0,0,0,0,0,0,2.030070267,6.823185908,1.266160219,9.754818289,2.255865483,0.124306704,1.894564137,2.861199581,6.837609784,0.459416419,0.469293322,3.651517832,1.078587865,3.039488989,0.728864898,0.33472025,0.024299088,0.253589686,0.320142313,2.03E-09,3.84E-39,1.40E-90,9.82E-164,1.33E-258,0,0,0,0,0,0,6.769113832,7.102695688,4.994824114,33.83443349,17.35205262,0.995985137,5.666372639,14.970918,18.82056882,3.007385528,3.940064901,15.87220571,6.103703006,5.713787642,3.636232232,1.420717986,0.207382411,0.767169714,2.928683254,1.86E-08,3.51E-38,1.28E-89,8.98E-163,1.22E-257,0,0,0,0,0,0,4.736317915,7.363634297,3.205557418,19.74935499,5.694997509,0.702951188,2.759708843,8.929430361,11.95751065,1.020324748,2.896066847,6.789117977,2.028265666,4.574277281,1.292641676,0.683810726,0.057614758,0.493628139,0.780359965,4.95E-09,9.35E-39,3.41E-90,2.39E-163,3.24E-258,0,0,0,0,0,0,9.253628473,0.819136811,0.574016112,0.869147973,0.076937506,0.537746032,0.501836678,0.482386239,10.6467814,13.36191728,28.35973375,0.80372196,1.521968948,7.4678459,0.563391624,0.163510708,0.911296563,0.068750327,0.35104279,0.21220953,0.033068035,8.194748233,5.520515164,14.40320557,0.866944845,0.596320356,8.47891975,0.589666251,0.32976447,0.902171054,0.062741462,0.45176635,0.257003171,0.156652707,9.398350471,7.990230281,19.037315,0.853256581,0.865422228,9.103247482,0.831325936,0.560420525,0.867389494,0.079211664,0.520461871,0.499190443,0.439252336,10.49499394,13.13530459,27.87142978,0.80108424,1.45890465,8.861918538,0.627875578,0.40332503,0.895765876,0.063465887,0.493321882,0.309720584,0.250687254,9.893119147,9.391653724,21.52894684,0.843648814,1.053729721,9.313622755,0.854239116,0.603476843,0.864667151,0.07930668,0.544721108,0.540142012,0.526563751,10.77133871,14.09213005,29.66476725,0.797000726,1.611426871,9.142335495,0.832906428,0.561893782,0.867630042,0.079044861,0.524924479,0.500587585,0.440922166,10.5371357,13.21973641,28.03553032,0.801445063,1.46643423 +UMLYSI0222,L,nonanal,CCCCCCCCC=O,saturated aldehyde,C9H18O,124-19-6,31289,PubChem,,43.7,0,-1.8343,3.36465649,34.2114,28.644274,0,0,28,10,18,0,9,0,1,0,0,0,0,0,0,0,1572.634242,1564.204541,1615.727284,1461.515211,1264.758482,1068.001753,871.245024,674.488295,477.731566,4587.550292,5756.123811,7331.770613,7215.163254,6208.364909,5201.566564,4194.768219,3187.969874,2181.171529,202.148712,198.475388,367.237528,488.50386,425.61896,362.73406,299.84916,236.96426,174.07936,33.74633629,43.69433758,61.47595495,64.54912961,55.52760075,46.50607189,37.48454303,28.46301417,19.44148531,4655.118227,3923.904036,7975.186145,11489.27422,10010.31906,8531.363909,7052.408754,5573.453599,4094.498444,90.75,62.5,94.75,115.5,103.25,91,78.75,66.5,54.5,56.16550864,57.93350152,31.68092714,21.18137987,21.07930803,20.94121084,20.74392914,20.43903924,19.90548192,163.8410819,213.1897708,143.7602081,104.5675834,103.4727485,101.9915013,99.87543379,96.6051477,90.88214705,7.219596857,7.350940296,7.200735843,7.079766087,7.093649333,7.112432549,7.139265714,7.180735152,7.253306667,1.205226296,1.618308799,1.205410881,0.935494632,0.925460012,0.911883763,0.89248912,0.862515581,0.810061888,166.2542224,145.3297791,156.3761989,166.5112206,166.8386511,167.2816453,167.9144941,168.8925333,170.6041018,3.241071429,2.314814815,1.857843137,1.673913043,1.720833333,1.784313725,1.875,2.015151515,2.270833333,0.150209754,-0.027092645,-0.046435943,-0.004161343,-2.47E-04,-4.72E-05,-2.67E-04,-7.56E-04,0.002130288,850.0347219,-48.03777086,-369.8458485,15.34551421,13.87362531,12.4017364,10.9298475,9.457958597,7.986069694,1367.240348,-97.12506318,-660.0754657,8.53317336,8.337032087,8.140890815,7.944749542,7.74860827,7.552466997,1.127262857,-0.004431755,-0.099114776,0.002691673,-0.009034122,-0.020759918,-0.032485714,-0.04421151,-0.055937306,6.076807391,-0.456866205,-2.876774273,-0.029306896,-0.029762393,-0.030217889,-0.030673385,-0.031128881,-0.031584377,33.4170586,-2.519512673,-15.50825646,-0.279092252,-0.286420615,-0.293748978,-0.30107734,-0.308405703,-0.315734066,35.02678571,1.965242347,-1.959502551,-0.405293367,-0.941326531,-1.477359694,-2.013392857,-2.54942602,-2.835459184,0.005364634,-0.001003431,-9.11E-04,-6.03E-05,-4.11E-06,-9.25E-07,-6.37E-06,-2.29E-05,8.88E-05,30.35838292,-1.779176699,-7.251879383,0.222398757,0.231227088,0.243171302,0.260234464,0.286604806,0.332752904,48.83001241,-3.597224562,-12.94265619,0.123669179,0.138950535,0.15962531,0.189160703,0.234806311,0.314686125,0.040259388,-1.64E-04,-0.001943427,3.90E-05,-1.51E-04,-4.07E-04,-7.73E-04,-0.001339743,-0.002330721,0.217028835,-0.016920971,-0.056407339,-4.25E-04,-4.96E-04,-5.93E-04,-7.30E-04,-9.43E-04,-0.001316016,1.193466379,-0.093315284,-0.30408346,-0.004044815,-0.004773677,-0.005759784,-0.007168508,-0.009345627,-0.013155586,1.250956633,0.072786754,-0.038421619,-0.005873817,-0.015688776,-0.028967837,-0.047937925,-0.077255334,-0.118144133,-0.18704562,-0.169724286,-0.01124202,-7.66E-04,-1.72E-04,-0.001187216,-0.004270927,0.016545769,-0.05860578,-0.238875681,0.007325777,0.007616581,0.008010022,0.008572079,0.009440714,0.010960824,-0.073668311,-0.265055353,0.002532647,0.002845597,0.003269,0.003873861,0.004808647,0.006444523,-0.004077039,-0.048272641,9.69E-04,-0.003739965,-0.010110865,-0.01921215,-0.033277772,-0.057892611,-0.077966462,-0.259907116,-0.001957056,-0.002285594,-0.002730087,-0.003365077,-0.004346424,-0.006063783,-0.078188448,-0.254790135,-0.003389132,-0.003999842,-0.004826096,-0.00600646,-0.007830658,-0.011023005,0.058184874,-0.030713789,-0.00469546,-0.012541422,-0.023156548,-0.038321013,-0.061757004,-0.094443028,0.984745727,0.86521219,0.68713054,0.739451258,0.82426258,0.947235467,1.139005663,1.454968367,1.291178025,1.281356606,0.887352832,0.892273454,0.898930766,0.908441212,0.923139174,0.948860608,1.494522204,1.417577656,0.930853113,0.922288648,0.910701431,0.894148263,0.868566095,0.823797301,0.555040021,0.636653535,0.649858074,0.728402071,0.834667479,0.986475204,1.221087143,1.631658036,1.552547244,1.436491233,0.932729452,0.923583322,0.911209146,0.893531751,0.866212142,0.818402824,1.555544051,1.429795623,0.928775694,0.920855229,0.910139305,0.894830843,0.871172311,0.829769879,0.47106806,0.587575535,0.629797515,0.717843487,0.836964508,1.007137395,1.270131856,1.722342595,65.83739408,33.04369704,53.21167194,66.03739408,6.603739408,33.04369704,0.25,0.049878592,0.004987859,-2.998163384,49.21806224,4.921806224,3.896260675,65.83944128,33.04435343,53.21257037,66.03885374,6.603885374,33.04435343,0.249265579,0.049852559,0.004985256,-2.998685446,49.21796833,4.921796833,3.896258767,67.6573501,33.62917781,54.02517713,67.33815452,6.733815452,33.62917781,-0.398994478,0.026020235,0.002602024,-3.648880767,49.35121943,4.935121943,3.898962475,65.84158986,33.04504233,53.21351333,66.0403857,6.60403857,33.04504233,0.2484948,0.049825235,0.004982524,-2.999233692,49.21787033,4.921787033,3.896256776,69.59494688,34.25632631,54.92610087,68.72911147,6.872911147,34.25632631,-1.082294264,0.001042774,1.04E-04,-6.865870631,50.05426795,5.005426795,3.913107776,66.05181542,33.1124748,53.30597062,66.19032277,6.619032277,33.1124748,0.173134186,0.047142363,0.004714236,-3.054583249,49.21104663,4.921104663,3.896118123,71.88729032,35.86975655,58.44822576,72.27141731,7.227141731,35.86975655,0.64021164,0.08230441,0.008230441,-2.497330594,49.07510447,4.907510447,3.893351869,0,11.98860189,16.00592553,-0.389464493,0.206356512,3.443116264,7.346288549,9,27,26,26,8,1,1,0,0,1,20.635726,3.522304822,3.355496733,3.068355426,2.687231491,2.25922076,1.842610379,1.493072755,1.244600958,1.919713361,1.767655343,1.537518907,1.267190982,1.00510937,0.791532689,0.641724891,0.549803477,3.536671777,3.348742317,3.051696938,2.675694106,2.266713982,1.88021122,1.565587267,1.347734507,1.86322811,1.713266138,1.482826872,1.205319596,0.926820565,0.690690461,0.518506272,0.408283928,3.666301709,3.504231346,3.243232792,2.911812141,2.556834355,2.232333272,1.979307322,1.810501133,1.68284662,1.505778662,1.233385452,0.90152056,0.559346896,0.258051394,0.030821906,0.117352914,3.555005312,3.363374349,3.064521863,2.691785439,2.292807884,1.922605978,1.627035379,1.425608929,1.828252377,1.681383013,1.450791915,1.166643112,0.874483112,0.620689447,0.431900546,0.309480873,3.72255105,3.559953181,3.305480235,2.990517472,2.661830914,2.369841674,2.148092449,2.002636748,1.628514864,1.448937147,1.169300335,0.822691958,0.45681006,0.124946771,0.132934151,0.304811958,5.044022189,3.534324579,3.323430823,2.985625919,2.578305385,2.175508954,1.84157799,1.60739867,1.795830803,1.584964985,1.283003462,0.94851401,0.635525553,0.38178461,0.203222358,0.0952633,0,0,1,0,0,1,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.656854249,4.914213562,3.121320344,1.957106781,1.207106781,0.728553391,0.426776695,0.239276695,0.765685425,0.546023729,0.390165043,0.279586683,0.201184464,0.145710678,0.106694174,0.079758898,6.935346028,4.351057332,2.723108754,1.675528666,1.008000987,0.587764333,0.327223798,0.168882167,0.693534603,0.483450815,0.340388594,0.239361238,0.168000164,0.117552867,0.081805949,0.056294056,14.59124934,27.32119446,25.87843137,26.24,16.66722994,215.4088168,0.521116048,0.975756945,0.924229692,0.937142857,0.595258212,7.693172027,2.9359,44.057,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,122,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,8,1,0,1,0,0,0,0,0,0,0,0,1,0,7,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.893722521,1.013711026,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.565058067,0,0,2.109651597,0.401388889,0,0.565058067,0,0,0,0,0,0,0,0,2.213711026,0,8.378855426,0,1.013711026,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.893722521,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.893722521,1.013711026,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.565058067,0,0,0.21558642,0.401388889,0,0.565058067,0,0,0,0,0,0,0,0,2.213711026,0,0.756076389,0,1.013711026,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.893722521,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.893722521,1.013711026,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.565058067,0,0,0.401388889,0.401388889,0,0.565058067,0,0,0,0,0,0,0,0,2.213711026,0,1.348302863,0,1.013711026,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.893722521,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.5,2.15,0.625290336,9.893722521,0.21558642,0.756076389,5.278770566,0.986288974,2.893722521,6.214867095,0.986288974,2.893722521,6.214867095,4.83333,0.48333,0,0.01667,0.47024,0.77667,0.425,0.47024,0.77667,0.04524,0,-0.04524,0,0.62232,0.09197,0,0.17241,0,0,6.25,0.625,4.75,0.475,1.5,0.15,-3.25,-0.325,0,0,8.91794,0.89179,10.82617,1.90823,0.19082,4.17274,0.41727,4.91421,0.74147,0.07415,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,9.01,1,1,1,1,0,0,0.888888889,1.107784385,1.771760518,2.672553582,3.208966083,3.051595656,2.532168056,31.01796278,49.60929451,74.83150031,89.85105032,85.44467836,70.90070556,0.230435323,0.368552051,0.555930158,0.667511789,0.634776443,0.526727919,3.699570537,3.035594404,2.13480134,1.598388839,1.755759266,2.275186866,0.230435323,0.368552051,0.555930158,0.667511789,0.634776443,0.526727919,9.474970853,15.25532732,18.3261838,18.86679374,16.54517721,14.3957424,37.17060982,29.21014847,25.39059406,24.32291712,28.51576013,32.06219401,10,9,9.142857143,10,1,9,2.34,1.3924,0,2.125200559,0,0,11.24058363,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.423,0.415,0.622,0.171,4.908,8,7,6,5,4,3,2,1,0,55,2.397895273,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,4.17438727,1.163636364,0.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0.777777778,8,0.888888889,0,5,9,0.8,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0.024691358,0,0,0.055555556,0.027777778,0.017857143,0.013333333,0.011111111,0.010204082,0.010416667,0.012345679,0,0,0.158601348,34.34287175,54.77460085,68.68574351,6.868574351,34.34287175,1.17E-15,1.17E-16,-34.38542531,49.36979013,4.936979013,3.899338701,17.07,170.3740883,4.321928095,3.555348061,4.17438727,4.812184355,5.451038454,6.098074282,6.744059186,7.394493107,8.04334217,8.695004593,73.96793148,2.944438979,0,3.931825633,0,5.056245805,0,6.244166901,0,7.466799475,7.82284529,142.1357652,5.076277328,18.82909733,1.882909733,2.412595541,2.412595541,0,165,7,4.001,34,1.237481481,2.143366388,2.868170143,3.60354404,4.946979069,5.956556779,7.28111497,8.372065678,9.667582784,10.768329,82.60673527,75.58823564,74.1131368,98.72574164,123.5490448,147.5375798,170.2562134,189.7921663,200.58016,96.97533003,289.5752335,328.7573779,331.0686145,441.6604642,557.3591608,663.435485,758.4527817,819.6558635,794.1519732,624.6891253,9.129024114,15.48527739,20.37890545,25.8326818,35.38161969,42.83816056,52.55875421,61.12066227,72.10845022,88.01914187,2.143243794,2.706609416,2.85362492,3.765886012,4.821406485,5.733784798,6.597607782,7.116767351,6.886027531,5.301035695,177.6290065,331.8399605,474.0272217,587.0442703,818.5836179,986.4382806,1219.79268,1416.576818,1678.789552,1992.772142,2.920203704,4.084525922,4.973917323,6.746640325,9.26767544,11.86718256,15.35147304,20.05791288,29.87205379,44.92930916,0.453097222,0.584991769,0.627774008,0.831290175,1.074659593,1.291471263,1.513209381,1.686073921,1.775561305,1.685690951,386.5319717,264.3127726,14.41092412,108.1221818,-73.93456618,-19.27759393,278.4097899,338.2473388,33.68851805,0.781418632,0.534338529,0.029133333,0.218581368,-0.14946719,-0.038971863,191.1996452,130.7434108,7.128423473,53.4830863,-36.57204025,-9.535741907,0.1750271,0.442876449,4.744763725,23.23244321,442.1960848,52.45806869,0.893950009,0.106049991,629.3830178,25.0875072,8.569819474,803.7496672,28.35047914,9.297658744,980.5255486,31.31334458,9.934659149,3.661365947,3.661365947,1883.458633,1854.613717,55.52039632,1.015553059,33.92372457,33.40418728,5.058773455,6.080700376,11.67108491,0.919365236,5.033424998,7.631813641,3.531512447,32.35051895,13.85941316,0.420700692,5.327311048,6.538297695,20.60570756,0.686474066,1.633015459,14.464406,2.445128322,13.12216164,1.353394697,1.179751535,2.967836243,3.126442044,1.362712987,3.620404967,0.824646736,0.107114439,4.01E-05,2.89E-30,4.02E-77,1.08E-145,5.58E-236,0,0,0,0.438914246,7.631523628,0.291658462,7.318449033,0.099971533,0.465322272,0.749396003,0.183227016,5.406906601,0.023369942,0.708325754,0.935381675,0.076417828,3.125200669,0.057193098,0.939503175,0.092812678,0.056039401,0.584181489,0.150187817,1.052673942,0.011974107,4.48E-06,3.23E-31,4.49E-78,1.20E-146,6.23E-237,0,0,0,1.369490765,7.631425798,0.799133276,8.981709339,1.022967384,0.254907835,1.669514132,0.832294031,7.328937954,0.098003439,0.461857751,3.162690318,0.331483922,4.675722462,0.221781913,0.605131093,0.399130011,0.316682475,0.648355253,0.586061683,0.569904923,0.020742606,7.76E-06,5.59E-31,7.78E-78,2.09E-146,1.08E-236,0,0,0,4.756253446,7.631840353,3.616507579,29.74045629,12.35069156,0.528254393,5.091567389,5.91995765,19.91389941,0.624398515,1.69041452,13.44748636,2.219315039,12.915955,1.238667753,1.409361289,2.692594459,2.808996713,1.572572129,3.311582708,1.094527011,0.134539712,5.03E-05,3.63E-30,5.05E-77,1.35E-145,7.01E-236,0,0,0,2.010801988,7.631410418,1.107542899,11.15329593,2.216275157,0.179304583,2.292830486,1.470304035,8.847856357,0.167266077,0.434226813,4.850218025,0.57440742,5.746536067,0.364457134,0.495372066,0.692701865,0.604307652,0.650938299,0.966174461,0.385204734,0.020539056,7.68E-06,5.54E-31,7.70E-78,2.07E-146,1.07E-236,0,0,0,6.078612651,7.632018184,4.616163445,43.74287333,20.20563918,0.526419023,6.402271353,9.088080561,26.16133447,0.94070172,2.246828667,18.44546078,3.372998634,16.33643662,1.818341919,1.466380472,4.099655055,4.448930117,1.754892596,4.873332684,1.006737571,0.156441584,5.85E-05,4.22E-30,5.87E-77,1.57E-145,8.15E-236,0,0,0,3.187268732,7.176838787,4.090486516,17.46468374,5.349598645,1.438878437,3.69380904,2.862625004,16.79079077,0.310908823,2.574669319,8.213051401,1.090328032,12.49601906,0.640820765,3.258022763,1.494035377,1.313593871,3.032531873,2.019683185,4.346622757,0.288865104,1.08E-04,7.79E-30,1.08E-76,2.91E-145,1.50E-235,0,0,0,11.49386718,0.816545482,0.472649363,0.899148198,0.063877143,0.538158002,0.618986928,0.571418836,12.78306202,15.203774,32.42277569,0.848722297,1.728563767,13.55783726,0.296849899,0.093784224,0.971994485,0.021281895,0.748785006,0.08192684,0.022497589,13.94847138,5.323993712,19.64991308,0.957991728,0.853209435,11.79193073,0.511607774,0.245717405,0.939651786,0.040767977,0.566428937,0.243273812,0.154435892,12.54925591,9.056036987,23.08766753,0.909477679,0.96413864,11.86088169,0.793482132,0.457227022,0.904610419,0.060517609,0.573074643,0.584547715,0.53473693,13.11159085,15.19731479,32.61205098,0.856915629,1.692359288,11.23917931,0.610548589,0.317035753,0.923760799,0.050181676,0.514570258,0.346382478,0.257094557,12.16676366,10.61885249,24.96113611,0.885641198,1.118047294,11.56538029,0.852929037,0.500272173,0.895251564,0.066023428,0.544876425,0.675253974,0.640160824,12.9185815,16.07698327,33.93047394,0.842877346,1.860291223,11.9797856,0.792996027,0.457350157,0.905492537,0.059938634,0.58462215,0.583843247,0.535024987,13.23013179,15.34155607,32.91647885,0.858238806,1.703490384 +UMLYSI0223,L,isopentyl acetate,CC(C)CCOC(=O)C,saturated esters,C7H14O2,123-92-2,31276,PubChem,,43.6,0,0.2153,0.04635409,33.6077,23.259102,0,0,23,9,14,0,7,0,2,0,0,0,0,0,0,0,1536.009745,1467.311804,1815.138845,1356.842014,1142.591153,844.903968,816.150476,245.0952,18.289152,3832.572288,4632.085644,5813.371337,5738.109533,4666.711802,3477.31635,2868.375069,1962.172413,559.5073998,173.54554,167.45108,302.118764,356.091016,349.120604,272.06292,156.107072,162.393984,120.932352,27.03328867,33.55214034,44.60979951,46.83220926,40.35647404,28.66848204,22.59436852,17.90497835,8.003032287,3847.310193,3237.717434,6440.121636,7729.923621,8125.360835,6262.453633,3386.191035,3503.329189,3328.517736,96.30555556,61,110.4166667,113.6666667,99.05555556,81.83333333,65,69,18,66.78303239,66.69599109,45.37847112,28.86897902,23.80398235,23.46955467,38.86430838,11.6712,1.016064,166.6335777,210.5493475,145.3342834,122.0874369,97.22316254,96.59212084,136.589289,93.43678159,31.08374443,7.545458261,7.611412727,7.5529691,7.576404596,7.273345917,7.557303333,7.433670095,7.733046857,6.718464,1.175360377,1.525097288,1.115244988,0.996429984,0.840759876,0.796346723,1.07592231,0.852618017,0.444612905,167.2743562,147.1689743,161.0030409,164.46646,169.2783507,173.9570454,161.2471921,166.8251995,184.917652,4.187198068,2.772727273,2.760416667,2.418439716,2.063657407,2.273148148,3.095238095,3.285714286,1,0.267223832,-0.160350649,0.086617972,-0.07158892,0.028090694,-0.047443905,0.060777726,-0.043679404,0.01396457,799.1117029,-15.00476101,115.5881665,-452.8744297,128.8793721,14.1804749,-1.71034462,-578.2051731,389.5908434,1081.795272,-149.5950004,-66.47700414,-457.8567881,16.62349154,360.6377998,-105.9878193,-655.5397312,517.2974161,1.975925913,0.013204083,0.812761369,-0.810222866,0.066746442,-0.67692369,-0.005039138,-0.737355834,0.348866677,4.769103567,-1.066326256,-0.682196631,-1.267374646,-0.645870812,2.253249883,-0.822703413,-1.963056398,1.80972649,26.67799994,-6.490143964,-4.002168585,-5.854120824,-4.766507204,13.04471227,-5.09057928,-9.251533227,9.07134085,38.38164251,-1.558286074,15.69376181,-13.94533711,0.411258139,-8.68068683,3.626181474,-20.93903592,6.201323251,0.011618427,-0.007288666,0.002165449,-0.001523169,5.85E-04,-0.001317886,0.002894177,-0.002079972,7.76E-04,34.74398708,-0.682034591,2.889704163,-9.635626164,2.68498692,0.393902081,-0.081444982,-27.53357967,21.64393574,47.03457702,-6.799772747,-1.661925103,-9.74163379,0.34632274,10.01771666,-5.047039016,-31.21617768,28.73874534,0.085909822,6.00E-04,0.020319034,-0.017238784,0.001390551,-0.018803436,-2.40E-04,-0.035112183,0.019381482,0.207352329,-0.048469375,-0.017054916,-0.026965418,-0.013455642,0.062590275,-0.039176353,-0.093478876,0.100540361,1.159913041,-0.295006544,-0.100054215,-0.124555762,-0.099302233,0.362353119,-0.242408537,-0.440549201,0.503963381,1.668767066,-0.070831185,0.392344045,-0.2967093,0.008567878,-0.24113019,0.172675308,-0.997096948,0.344517958,-0.627336693,0.186380585,-0.131099369,0.050370223,-0.113430691,0.249102338,-0.179023506,0.066774049,-0.019630291,0.083171346,-0.277332194,0.077279183,0.011337273,-0.002344146,-0.792470352,0.622954864,-0.144569659,-0.035334114,-0.207116432,0.007363152,0.212986218,-0.107304867,-0.663685732,0.611013156,0.006986228,0.236515845,-0.20066139,0.016186169,-0.218874109,-0.002793149,-0.408709756,0.225602632,-0.233753706,-0.0822509,-0.130046371,-0.064892649,0.301854697,-0.188936161,-0.450821443,0.484876929,-0.254335052,-0.0862601,-0.107383707,-0.085611792,0.312396797,-0.208988544,-0.379812267,0.434483761,-0.04244522,0.235110132,-0.177801508,0.005134256,-0.144496014,0.103474782,-0.597505169,0.206450598,1.616503774,0.865191685,1.191426999,0.671543722,1.376530495,1.047810735,1.093519896,0.004168938,1.090358552,0.921021686,1.280474632,0.797246519,0.971271156,0.961733539,1.8361399,0,1.504503624,1.098818674,1.182149628,0.885668815,0.579815593,1.163841646,1.550523893,0,0.709899086,0.71758318,1.323019671,0.726042067,1.544769907,0.798980506,1.8693639,0,1.714180848,1.17704081,1.118315613,0.933384724,0.44453025,1.272906581,1.338521962,0,1.747015013,1.186280531,1.104733948,0.941609089,0.439395449,1.291705128,1.288127277,0,0.611548143,0.444421806,1.145365076,0.731415198,1.158101706,1.228265756,3.111606581,0,42.62129875,21.56064937,34.1586465,43.01018764,4.778909737,21.56064938,0.5,0.111382399,0.012375822,-1.975307367,35.81880674,3.979867415,3.220625775,42.63601283,21.56727199,34.16980779,43.02375928,4.780417698,21.56727199,0.498531158,0.111156753,0.01235075,-1.977132498,35.83882573,3.982091747,3.221128641,55.74614786,27.47407945,44.49970758,55.12548978,6.12505442,27.47407945,-0.797988956,0.038863666,0.004318185,-2.922925955,36.40266122,4.044740136,3.235177694,42.65145577,21.57422268,34.18152335,43.03800324,4.78200036,21.57422269,0.4969896,0.110920094,0.012324455,-1.97905069,35.85993398,3.984437109,3.221658564,69.73352074,33.78446611,55.98536987,68.04995188,7.561105765,33.78446611,-2.164588529,0.126762249,0.014084694,-1.858897801,31.13510988,3.459456653,3.094502506,44.16340824,22.25483831,35.33522176,44.43272809,4.936969787,22.25483831,0.346268372,0.088552544,0.009839172,-2.181743263,38.52385856,4.280428728,3.286149977,45.2760262,22.8898902,37.10904816,45.88373595,5.098192884,22.8898902,1.093877551,0.26609404,0.029566004,-1.19151495,33.27680116,3.697422351,3.154374443,0,11.89,15.99591816,-0.3158537,0.301597273,3.72174632,7.38678967,8,22,21,21,7,1,1,0,0,1,18.178898,3.530650577,3.333707545,2.783488641,2.333552793,2.130847927,1.835350489,1.064569886,0.910835892,1.871314501,1.580724241,1.395006124,1.249629723,0.815265191,0.464826884,0.378640716,0.083923071,3.491950749,3.230908333,2.787190145,2.405454588,2.060868288,1.778246958,1.112381665,0.603720609,1.825384061,1.597132889,1.31799191,1.134540686,0.768710368,0.549685472,0.222194328,0.270913902,3.644709023,3.444106903,3.011059426,2.704236987,2.431112963,2.159896592,1.595625026,1.226320415,1.632584438,1.340309875,1.022947278,0.76031856,0.345239105,0.113445065,0.322613111,0.943918427,3.50326518,3.203015583,2.811430509,2.457539916,2.057320163,1.798324199,1.196040825,0.45958949,1.803194982,1.607309773,1.26888176,1.058262671,0.75225958,0.524505911,0.115968674,0.399277246,3.687599931,3.464858569,3.097239637,2.838982085,2.512466843,2.269670165,1.797568285,1.208936353,1.582211441,1.314339889,0.937499198,0.631337262,0.259790044,0.009399352,0.521896405,1.207644823,4.821892696,3.51678269,3.151527531,2.790720358,2.631436576,2.288243538,1.573328223,1.268241441,1.762806111,1.272463564,1.137837674,0.881436576,0.487076206,5.95E-04,0.125042309,0.583333333,0,0,1,0,0,4,1,1,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.491581624,0,0,0,0.577350269,0.40824829,0.23570226,0.3476007,0.159517797,0.082981826,7.276020882,4.125897658,3.71859736,1.562948829,0.934347711,0.471404521,0.471404521,0,0.808446765,0.515737207,0.413177484,0.260491471,0.186869542,0.11785113,0.11785113,0,6.308060412,3.259872254,2.522565321,1.000526604,0.438356565,0.200832957,0.165963653,0,0.700895601,0.407484032,0.280285036,0.166754434,0.087671313,0.050208239,0.041490913,0,12.22239284,22.87618354,21.77647059,22.12,13.55036048,177.5068275,0.531408384,0.994616676,0.946803069,0.96173913,0.589146108,7.717688154,1.5956,36.088,24.78957267,39.15799293,49.57914534,5.508793927,24.78957267,1.11E-16,1.23E-17,-33.06312051,2000018.186,222224.2429,13.05780015,76,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,1,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.91676682,-0.184583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.784770408,0.5125,0,0,0,0,0,0,0,0,0,0,5.63226096,0,1.520416667,0,0,0,0.615138889,0,0,-0.184583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.20301682,4.71375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.71375,-0.184583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272454649,0.5125,0,0,0,0,0,0,0,0,0,0,1.43087963,0,0.5625,0,0,0,0.615138889,0,0,-0.184583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.20301682,4.71375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.20301682,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,2.100690665,0,0.957916667,0,0,0,0.615138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.20301682,4.71375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.5,2.5,0.619465703,10.20301682,0.225555556,-0.184583333,3.453437846,1.85125,3.203016818,9.236296296,1.85125,3.203016818,9.236296296,4.16666,0.46296,0,0.03704,0.52319,0.87037,0.42414,0.52319,0.87037,0.09905,0,-0.09905,0,0.53191,0.18238,0,0.44,0.24,0,6.25,0.69444,4.75,0.52778,1.5,0.16667,-3.25,-0.36111,0,0,7.40588,0.82288,10.3323,2.92642,0.32516,3.00992,0.33444,4.12588,1.11596,0.124,0.28812,0.03201,0.28812,0.03201,0,8.02,2,2,2,2,0,0,0.857142857,1.264672679,2.119085047,3.381620108,3.381620108,3.381620108,3.184943501,29.08747163,48.73895608,77.77726248,77.77726248,77.77726248,73.25370053,0.279574524,0.468454963,0.747556934,0.747556934,0.747556934,0.704078673,3.258889277,2.404476909,1.141941848,1.141941848,1.141941848,1.338618455,0.279574524,0.468454963,0.747556934,0.747556934,0.747556934,0.704078673,11.60803893,22.20837122,23.48078566,23.48078566,23.48078566,21.12066638,32.94327953,18.82721372,18.33036391,18.33036391,18.33036391,17.15030427,9,4.839506173,8,9,3,4,2.01,1.1693,0.721124785,2.182247272,2.683281573,0,1,2.149139864,0,0.25,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.426,0.519,0.065,3.629,9,6,5,4,4,0,0,0,0,45,2.302585093,2.48490665,2.079441542,1.945910149,1.791759469,1.945910149,0,0,0,0,3.988984047,1.177777778,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.5,7,0.875,0,3,6,1,2.5,0.666666667,0.375,0.16,0.222222222,0,0,0,0,0,0.3125,0.074074074,0.0625,0.032,0.055555556,0,0,0,0,0,0.53662963,24.78957267,39.15799293,49.57914534,5.508793927,24.78957267,1.11E-16,1.23E-17,-33.06312051,2000018.186,222224.2429,13.05780015,26.3,144.5723458,4.169925001,3.555348061,4.17438727,4.905274778,5.549076085,6.282266747,6.932447892,7.666221926,8.318010278,9.051930635,73.43496367,2.833213344,0,3.970291914,0,5.220355825,0,6.517671273,0,7.83873756,8.153061947,130.0993797,5.656494769,16.49829985,1.833144428,5.224562611,5.224562611,0,108,6,2.099,34,1.233227273,2.115064415,2.888658606,3.559872534,4.505590128,5.712427748,6.639569481,7.351865561,0,0,92.90307534,106.3885835,91.82326581,101.065275,122.8181982,234.2132803,76.64955627,7.469965929,0,0,281.9160909,330.5722651,373.0939796,382.4755409,483.728826,824.1255286,628.2431018,228.5235102,0,0,9.447098999,16.09015866,21.91701097,26.01648134,34.32741433,42.4377693,50.81572602,49.3932441,0,0,1.992608666,2.484626131,2.995523153,3.196844347,3.871555961,6.450798613,5.795396826,3.268734303,0,0,179.7781318,336.9320426,472.192301,595.7768929,775.7792093,911.4480788,1100.233885,1359.489718,0,0,3.503647727,6.154840516,7.047396301,7.525978747,10.67085523,17.61083754,20.69409362,7.351865561,0,0,0.450467386,0.585389512,0.706875481,0.760087784,0.949489644,1.497203951,1.404940718,0.752831033,0,0,388.8698402,302.7723751,13.23168269,147.9111318,-115.1629672,-18.75496579,240.9587085,417.9353423,31.98664848,0.724447886,0.564051989,0.024650059,0.275552114,-0.214543684,-0.034939699,208.7379308,162.5224498,7.102515496,79.39588108,-61.81728949,-10.06730876,0.33177405,0.405619087,3.004947784,3.534780749,479.8507889,56.9301831,0.893941503,0.106058497,648.0661598,25.45714359,8.653791915,783.6846649,27.99436845,9.219636166,1104.299863,33.23100756,10.33623416,1.931047351,1.931047351,848.413558,775.9603287,117.010026,1.093372337,7.250776596,6.631571287,4.533434213,4.466160583,8.529792325,0.909871391,3.917833806,5.241531868,3.968188939,17.33713481,5.487319365,4.854260337,5.618743237,7.338204229,3.021884163,3.640424959,4.584229577,2.153659605,2.313843894,3.941135033,0.790402357,1.946808285,5.00E-10,2.63E-41,2.68E-94,5.24E-169,1.98E-265,0,0,0,0,0,0,0,0,0,0.345304163,5.392468617,0.328144591,7.26019547,0.740501274,1.469816668,1.690450507,0.505666752,1.564708797,0.278732884,2.164901965,0.176871486,0.276360205,0.028016386,0.008850083,0.01371153,3.52E-12,1.85E-43,1.88E-96,3.69E-171,1.40E-267,0,0,0,0,0,0,0,0,0,1.067266495,5.111388086,0.793627845,7.452699065,1.110681923,1.818610563,1.62507561,1.277511007,1.485479724,0.630051611,2.571448611,0.429035258,0.513747789,0.2899198,0.066446274,0.142884714,3.67E-11,1.93E-42,1.96E-95,3.85E-170,1.45E-266,0,0,0,0,0,0,0,0,0,3.703230625,5.392092559,4.21299437,17.5053889,5.655680231,4.710889815,5.925678733,7.19536672,3.188868036,3.983357766,4.621015017,2.093373111,2.167950941,3.511657842,0.706494957,1.734571133,4.45E-10,2.35E-41,2.38E-94,4.67E-169,1.77E-265,0,0,0,0,0,0,0,0,0,1.565372702,5.004588839,1.055176961,8.083525793,1.372510767,2.115372542,1.776072555,1.86659743,1.500222675,0.801489382,2.821855464,0.618819995,0.719062964,0.629109427,0.136250951,0.310364691,7.97E-11,4.20E-42,4.27E-95,8.36E-170,3.16E-266,0,0,0,0,0,0,0,0,0,4.731374743,5.337017315,5.405156355,21.59591407,7.760743715,6.240998495,7.422624671,10.08048565,3.811207022,5.147345539,5.336981214,2.886512768,3.092002977,5.746934377,1.142018619,2.83923692,7.29E-10,3.84E-41,3.90E-94,7.65E-169,2.89E-265,0,0,0,0,0,0,0,0,0,2.456710395,5.04658818,3.039826038,19.17852389,4.012905403,3.215997613,6.472728496,5.671088178,3.941120726,3.088939976,4.551768787,1.644201782,1.494288693,1.342221876,0.283488161,0.662455597,1.70E-10,8.96E-42,9.11E-95,1.78E-169,6.75E-266,0,0,0,0,0,0,0,0,0,7.075492423,1.138053757,0.537981434,0.808486556,0.130040583,0.52911569,0.473179422,0.440885602,8.751527613,12.47102608,25.55453661,0.712729834,1.443180713,6.080755138,0.735783168,0.175359154,0.869685972,0.10523369,0.39793418,0.182438056,0.042416961,6.991897461,5.669459673,13.44593456,0.804528958,0.622789197,6.508817798,0.862521644,0.32041132,0.84620758,0.112135933,0.44913034,0.267218819,0.153757209,7.691750762,7.975856831,17.46639554,0.76931137,0.870106368,6.998232034,1.127033142,0.520251185,0.809463743,0.13036042,0.518128894,0.46148539,0.409191345,8.64551636,12.11441827,24.86328029,0.714195615,1.38880563,6.725749786,0.934599775,0.388719934,0.835593455,0.116112773,0.47830233,0.318442775,0.229855311,8.049069495,9.263614811,19.75613281,0.753390182,1.026600416,7.133769984,1.174235943,0.56392502,0.804083128,0.132354044,0.537862423,0.503712413,0.484353166,8.871930947,13.06182154,26.65759963,0.706124691,1.525928003,7.056318456,1.14074649,0.525322189,0.808989368,0.130783749,0.526903329,0.472158271,0.416606054,8.722387135,12.35557061,25.30652322,0.713484052,1.415667654 +UMLYSI0224,L,3-octanol,CCCCCC(CC)O,saturated alcohols,C8H18O,589-98-0,11527,PubChem,,43.6,0,-1.8481,3.41547361,32.3179,26.884274,0,0,27,9,18,0,8,0,1,0,0,0,0,0,0,0,1428.370121,1423.960324,1628.321952,1514.406695,1155.752185,902.571648,702.766727,341.064025,87.883488,4164.033391,5299.883923,6897.857109,6935.67865,5885.068538,4641.827663,3541.778085,2397.91674,1154.675865,194.608196,193.288408,355.096464,475.548908,432.655852,361.113672,278.07338,215.024932,143.482752,30.95743629,40.32666126,57.13037493,60.60817824,52.78484749,42.82392198,32.46855441,23.31138494,13.35045943,4528.323871,3829.171409,7727.285126,11025.19369,10101.03734,8653.077414,6619.369302,5140.459991,3692.500067,75.02777778,59.08333333,94.08333333,126.1666667,112.9166667,84.58333333,72,56,27,52.90259707,54.76770477,33.23106024,22.94555598,19.26253642,17.69748329,18.01965967,11.36880083,4.184928,154.2234589,203.8416894,140.7725941,105.0860401,98.08447564,91.01622868,90.81482268,79.93055801,54.98456499,7.207710963,7.434169538,7.246866612,7.205286485,7.210930867,7.080660235,7.130086667,7.167497733,6.832512,1.146571714,1.551025433,1.165926019,0.918305731,0.879747458,0.839684745,0.832527036,0.777046165,0.635736163,167.7156989,147.2758234,157.6996964,167.0483893,168.3506223,169.6681846,169.727418,171.3486664,175.8333365,2.778806584,2.272435897,1.920068027,1.911616162,1.881944444,1.658496732,1.846153846,1.866666667,1.285714286,0.23389301,-0.111692163,-0.006177386,0.007370271,-0.024971275,0.016514468,0.011789114,-0.027827363,0.013265925,800.2177743,-66.87771673,-207.1675175,-42.44970921,-163.9208765,49.45194792,5.584447276,-159.5578732,53.81495121,1266.51806,-76.37381503,-471.3286346,-79.57892212,-148.4062686,54.05496046,-15.03127714,-152.5195689,49.94166011,1.122666963,-0.081912483,-0.010208192,-0.116476724,-0.268547177,0.005050551,-0.026784132,-0.2005107,0.073087029,5.603020215,-0.228978216,-2.374862805,-0.434691091,-0.305560453,0.110962175,-0.172412133,-0.317354273,0.099168356,30.80423065,-1.077902146,-13.36081413,-2.554351645,-1.140308754,0.368482377,-1.136975434,-1.15976091,0.349030221,24.77983539,-3.484491693,-0.711553117,-0.653177869,-5.970621856,-0.577960677,1.339620485,-4.125743027,0.600251486,0.008662704,-0.004295852,-1.26E-04,1.12E-04,-4.16E-04,3.24E-04,3.02E-04,-9.28E-04,6.32E-04,29.63769534,-2.572219874,-4.227908521,-0.643177412,-2.732014608,0.969646038,0.143190956,-5.318595773,2.562616724,46.90807629,-2.937454424,-9.618951727,-1.205741244,-2.47343781,1.059901185,-0.385417363,-5.083985631,2.378174291,0.041580258,-0.00315048,-2.08E-04,-0.001764799,-0.004475786,9.90E-05,-6.87E-04,-0.00668369,0.003480335,0.207519267,-0.008806854,-0.048466588,-0.006586229,-0.005092674,0.002175729,-0.004420824,-0.010578476,0.004722303,1.140897431,-0.041457775,-0.272669676,-0.038702298,-0.019005146,0.007225145,-0.029153216,-0.038658697,0.016620487,0.917771681,-0.134018911,-0.014521492,-0.009896634,-0.099510364,-0.011332562,0.034349243,-0.137524768,0.028583404,-0.495902019,-0.014553088,0.012890983,-0.04804365,0.037380141,0.034894991,-0.107077277,0.072923039,-0.086788795,-0.14265308,-0.02170133,-0.0921804,0.032716648,0.00483138,-0.179453757,0.086464777,-0.062621507,-0.205059608,-0.025704342,-0.052729466,0.022595281,-0.008216439,-0.108381883,0.050698611,-0.075768652,-0.005010321,-0.042443192,-0.1076421,0.002381669,-0.016516795,-0.160741908,0.083701614,-0.042438731,-0.233552231,-0.031737914,-0.02454073,0.010484467,-0.021303197,-0.050975873,0.022755972,-0.036337863,-0.238995784,-0.033922679,-0.016658067,0.006332861,-0.025552881,-0.033884463,0.014567906,-0.146026418,-0.015822554,-0.010783329,-0.108426057,-0.01234791,0.037426785,-0.149846384,0.031144352,1.443840312,0.757820488,1.023203035,1.28791801,0.889664839,0.958752467,1.345610536,0.399423531,1.436331741,1.249070292,1.00388928,1.062480479,0.842397696,0.899875218,1.086242324,0.561939215,1.557444022,1.399522649,0.972936979,0.963073532,0.856095427,0.882505374,0.932942698,0.660225513,1.049055543,0.818731327,1.188997203,1.352716033,0.796274765,1.013116122,1.406689177,0.078463162,1.595649943,1.454203437,0.975423716,0.927784248,0.860086201,0.885232445,0.860438499,0.667166492,1.598755806,1.461212418,0.979976613,0.923519623,0.860293322,0.888368576,0.845969846,0.65918464,1.128830026,0.81131727,1.151249689,1.355268621,0.804074615,0.96628747,1.425217969,0.14989146,49.73247254,24.99123627,39.21749981,49.92691699,5.547435221,24.99123627,0.25,0.103160164,0.01146224,-2.044325255,37.16911756,4.129901952,3.253930419,49.73563613,24.99245086,39.21885041,49.92950936,5.547723262,24.99245086,0.249265579,0.103122098,0.011458011,-2.044657416,37.16963853,4.129959837,3.253943034,52.62010174,26.11055363,40.48017297,52.3097727,5.812196966,26.11055363,-0.398994478,0.066487916,0.007387546,-2.439661555,37.91329579,4.212588421,3.271771677,49.73895662,24.99372571,39.22026806,49.93223035,5.548025594,24.99372571,0.2484948,0.103082141,0.011453571,-2.045006213,37.1701859,4.130020655,3.253956287,55.82467685,27.37119129,41.95983587,54.98289242,6.109210269,27.37119129,-1.082294264,0.01873929,0.002082143,-3.579419584,39.83281998,4.425868887,3.316222076,50.0649722,25.11905319,39.35983624,50.19963212,5.577736902,25.11905319,0.173134186,0.099139763,0.011015529,-2.080102208,37.22676145,4.136306827,3.255325107,54.63424126,27.60618313,44.15364018,55.08389404,6.120432671,27.60618313,0.578125,0.093381925,0.010375769,-2.133951731,37.7801777,4.197797522,3.268606109,0,11.89,15.99491664,-0.392503443,0.065182185,4.856819083,7.406485263,8,26,26,26,8,0,0,0,0,0,19.677726,3.524683289,3.268079175,2.857021371,2.522586155,2.078023622,1.688848576,1.540281777,1.187960682,1.903995899,1.743008327,1.505687974,1.198372923,0.933971022,0.72854873,0.611324965,0.533190319,3.528874187,3.284245413,2.902725581,2.501921424,2.067392464,1.656337447,1.593460105,1.29736339,1.855244594,1.682178907,1.417901536,1.127024924,0.841441974,0.603216457,0.561286507,0.389321796,3.664399133,3.445880656,3.104342771,2.787280525,2.420199459,2.110519128,2.031341192,1.775398552,1.670309613,1.460080851,1.142604747,0.778625376,0.42193654,0.118160216,0.019287955,0.149680839,3.543705887,3.304503112,2.936610802,2.527419686,2.102805177,1.718567806,1.605732621,1.376697589,1.825584606,1.643212994,1.360789261,1.086071862,0.785319128,0.54420645,0.48202179,0.286560065,3.716677796,3.513033,3.199157787,2.878597051,2.538666802,2.246707233,2.197327166,1.973732155,1.618858513,1.395725058,1.053316205,0.681479455,0.29756293,0.045650024,0.11452421,0.342283077,4.402345665,3.480617247,3.258724026,3.037547601,2.497794887,2.108482118,1.831917437,1.535982832,1.768591418,1.531402615,1.2273294,0.861695629,0.555678137,0.335517162,0.138233452,0.015320937,0,0,0,0,0,2,6,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.129099445,0,0,0,0.49279928,0.348461713,0.24639964,0.220386538,0.155836815,0.110193269,7.112884175,4.308060412,3.009201922,1.997400241,0.946923425,0.535074775,0.348461713,0.102062073,0.790320464,0.538507552,0.37615024,0.285342892,0.189384685,0.133768694,0.116153904,0.102062073,6.560097771,3.988909033,2.557853713,1.612150446,0.834086373,0.45528693,0.268673868,0.102062073,0.728899752,0.498613629,0.319731714,0.230307207,0.166817275,0.113821732,0.089557956,0.102062073,13.59124934,26.32119446,24.87843137,25.24,15.66722994,208.6661222,0.503379605,0.974859054,0.921423384,0.934814815,0.580267776,7.728374895,2.3376,40.4398,25.41191019,39.68761279,50.82382038,5.647091153,25.41191019,0.089797579,0.009977509,-2.16917754,37.38194553,4.153549503,3.259069063,85,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.514591837,0,9.08454932,0,0,0,0,0,0,0,0,0,0,0.514591837,0,0,0,0,0,0,0,0,0,0,0,0,0,2.285408163,0,0,0,0,0,0,0,0,0,0,0,4.203312547,0,5.590332577,0,0,0,-0.044861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.08454932,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.514591837,0,9.08454932,0,0,0,0,0,0,0,0,0,0,0.514591837,0,0,0,0,0,0,0,0,0,0,0,0,0,0.220408163,0,0,0,0,0,0,0,0,0,0,0,2.024417045,0,0.906462585,0,0,0,-0.044861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.08454932,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.514591837,0,9.08454932,0,0,0,0,0,0,0,0,0,0,0.514591837,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.178895503,0,1.260972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.08454932,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.83333333,2.092592593,0.514591837,9.08454932,0.220408163,-0.044861111,4.491305351,1.378194444,3.08454932,6.575723734,1.378194444,3.08454932,6.575723734,4.33333,0.48148,0,0.01852,0.46173,0.78519,0.42414,0.46173,0.73667,0.03759,0,-0.03759,0.04852,0.61321,0.10108,0,0.30769,0.11538,0,4.25,0.47222,4.25,0.47222,0,0,-4.25,-0.47222,0,0,8.99093,0.99899,9.9223,0.93137,0.10349,4.02648,0.44739,4.30805,0.28157,0.03129,0.10595,0.01177,0.10595,0.01177,0,8.01,1,1,1,1,1,1,1,1.086048612,1.677239029,2.801959504,3.513784724,3.45416841,3.097299076,29.32331253,45.28545378,75.65290661,94.87218755,93.26254708,83.62707506,0.228406794,0.352740002,0.589279873,0.738983777,0.726445875,0.651392714,3.66883889,3.077648473,1.952927998,1.241102778,1.300719092,1.657588426,0.231052556,0.356825984,0.596105827,0.747543833,0.734860698,0.658938155,9.449442117,14.27535676,19.32113189,20.03852717,18.34997399,17.17607696,33.3868056,26.63963891,20.86348207,18.85758983,21.64154715,23.71629307,9,6.125,5.87755102,9,0,8,2.23,1.2945,0.142857143,3.377018974,0.632455532,0,4.832409738,2.648059603,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,4.388,8,7,5,4,3,1,0,0,0,45,2.197224577,2.197224577,2.079441542,1.791759469,1.609437912,1.386294361,0.693147181,0,0,0,3.828641396,1,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.625,8,1,0,4,7,0.75,1.5,0.666666667,0.25,0.16,0.111111111,0.040816327,0,0,0,0,0.1875,0.083333333,0.035714286,0.032,0.027777778,0.013605442,0,0,0,0,0.379930839,25.41191019,39.68761279,50.82382038,5.647091153,25.41191019,0.089797579,0.009977509,-2.16917754,37.38194553,4.153549503,3.259069063,20.23,155.7145624,4.169925001,3.496507561,4.143134726,4.828313737,5.501258211,6.196444128,6.876264612,7.5750717,8.257126286,8.957381736,72.8315027,2.833213344,0,3.891820298,0,5.117993812,0,6.411818268,0,7.739359203,8.053251154,130.1357652,4.819843155,16.65751855,1.850835395,2.442494268,2.442494268,0,110,7,2.807,32,1.227923077,2.12836763,2.854129696,3.545325503,4.748464542,5.792958654,7.010162689,7.998615312,9.473632882,0,78.91090558,79.25609825,75.8949341,85.85500986,99.83973201,122.3407939,90.05685439,36.99931232,9.625817321,0,276.4511081,320.994461,326.7759521,403.3820832,480.0807131,582.0202803,598.9726335,466.3924745,294.4759833,0,9.155826991,15.49897576,20.63882049,25.65238809,33.76179399,41.44155384,50.35353932,54.77752509,63.64826147,0,2.045513112,2.604009845,2.773760289,3.486077724,4.289588974,5.187438854,5.712183307,5.297653054,4.212099435,0,178.400665,332.276207,473.5103867,584.4314106,796.1615889,970.5205043,1191.649608,1396.315994,1751.841949,0,2.842817308,4.238873971,5.595347427,6.832234566,8.141176749,11.04774183,13.34268865,10.60182014,9.473632882,0,0.438605158,0.574675516,0.62741685,0.783643067,0.961022835,1.176755728,1.30353289,1.177259193,0.970100007,0,430.2113997,317.3503637,16.04161129,167.837215,-123.8070429,-18.01465917,262.3741847,441.1574066,34.05627047,0.719358576,0.530643088,0.026823256,0.280641424,-0.207018359,-0.030122399,257.2873316,189.7909454,9.593663411,100.3748139,-74.04263049,-10.77364196,0.284843671,0.532063252,7.196113641,12.69784305,548.9199469,49.1286677,0.917851716,0.082148284,532.2508829,23.07056313,8.104112543,714.9614284,26.73876266,8.941853238,898.4839249,29.97472143,9.649469486,2.988968995,2.988968995,1083.396791,1039.338443,87.32388478,1.042390761,12.40664903,11.90210955,4.721005366,5.645455692,10.06558281,0.782953115,5.455646818,7.022401722,3.874612662,26.09226324,12.71639452,0.86340957,5.67235786,10.8201142,13.11873008,1.431255703,3.34302685,11.32751489,4.644626433,5.030300684,2.706479734,1.089056456,0.142773617,0.63522528,2.008139858,1.27E-08,2.41E-38,8.76E-90,6.16E-163,8.34E-258,0,0,0,0,0,0,0.477759684,7.149147227,0.293008176,7.293089752,0.492672395,0.032024646,0.654275722,0.464521256,4.331042868,0.071480798,0.046223263,1.676165997,0.248099637,1.996930251,0.114384014,0.060782495,0.002820634,0.053296814,0.014143493,8.97E-11,1.69E-40,6.17E-92,4.34E-165,5.88E-260,0,0,0,0,0,0,1.422817417,6.912931885,0.875789306,8.418094274,1.293142936,0.096517733,1.481711204,1.712220921,5.448287995,0.228204769,0.301644556,2.625092369,0.756335473,2.615629267,0.443541096,0.213073955,0.012173464,0.172057337,0.147386104,9.35E-10,1.77E-39,6.43E-91,4.52E-164,6.12E-259,0,0,0,0,0,0,5.372643628,7.148922953,3.814779354,24.9913918,11.4946932,0.852789463,5.327098162,10.04912916,12.75311964,1.385476129,2.993491815,10.87976735,4.558008073,4.845670561,2.477059604,1.005728872,0.127408321,0.599591729,1.78921646,1.13E-08,2.14E-38,7.81E-90,5.49E-163,7.43E-258,0,0,0,0,0,0,2.030070267,6.823185908,1.266160128,9.845192432,2.351432406,0.152380775,2.100382738,2.783346978,6.320926392,0.351334688,0.600955558,3.576001648,1.139593858,3.040174049,0.728864898,0.33472025,0.024299088,0.253589686,0.320142313,2.03E-09,3.84E-39,1.40E-90,9.82E-164,1.33E-258,0,0,0,0,0,0,6.769113832,7.102695688,4.994823284,34.71748812,18.22816566,1.251880459,7.153740754,14.69129788,16.3275455,1.966923972,4.804908056,14.75899143,6.389728651,5.719001747,3.636232232,1.420717986,0.207382411,0.767169714,2.928683254,1.86E-08,3.51E-38,1.28E-89,8.98E-163,1.22E-257,0,0,0,0,0,0,4.736317915,7.363634297,3.205557197,19.54967396,6.057413031,0.780007525,3.437279389,6.001589974,10.787191,1.100846024,1.40233525,10.12426218,3.854999305,4.582631814,1.292641676,0.683810726,0.057614758,0.493628139,0.780359965,4.95E-09,9.35E-39,3.41E-90,2.39E-163,3.24E-258,0,0,0,0,0,0,9.30065659,0.812330564,0.575235987,0.870177996,0.076002396,0.5425638,0.512740388,0.490211871,10.68822314,13.37256176,28.40681221,0.805266993,1.545516059,7.857560358,0.51859386,0.166374975,0.919816623,0.060707297,0.387837235,0.181100479,0.034669291,8.542529193,5.468465009,14.68895269,0.879724935,0.603607005,8.610487537,0.575403203,0.33135799,0.904724441,0.060458986,0.465064513,0.253636917,0.160690295,9.51724873,7.998320402,19.15728299,0.857086661,0.879391725,9.196973502,0.819156437,0.562166954,0.869419113,0.077437459,0.530515651,0.50263691,0.448531765,10.57829689,13.16449731,27.97802514,0.80412867,1.481684325,8.911110071,0.622010575,0.404178739,0.896733582,0.062593523,0.498149526,0.315132023,0.254100484,9.937299385,9.395889376,21.57347257,0.845100373,1.067382034,9.363373356,0.84690508,0.604803858,0.865769959,0.07830778,0.549890753,0.551697721,0.535517027,10.81508229,14.10510425,29.71621368,0.798654939,1.637105501,9.234817549,0.820653942,0.563675189,0.869638383,0.077280592,0.534883347,0.504013134,0.4503371,10.61914668,13.24660922,28.13761873,0.804457575,1.489233581 +UMLYSI0225,L,2-methyl-2-butene,CC=C(C)C,alkenes,C5H10,513-35-9,10553,PubChem,,43.5,0,1.9957,3.98281849,25.8352,15.46793,0,0,15,5,10,0,5,0,0,0,0,0,0,0,0,0,731.481245,698.127364,719.379028,497.39693,160.526016,18.289152,0,0,0,2428.421953,2841.433771,3235.924087,2890.807515,1843.095563,559.5073998,0,0,0,104.88722,101.338384,168.922192,156.236168,186.188544,120.932352,0,0,0,18.39062905,22.2910431,27.40610355,25.84189198,20.03172529,8.003032287,0,0,0,2483.148301,2038.402901,3855.784317,3411.424979,4611.235353,3328.517736,0,0,0,28.77777778,34,44,44,39,18,0,0,0,48.76541633,49.86624029,29.97412617,22.60895136,5.945408,1.016064,0,0,0,161.8947969,202.9595551,134.8301703,131.4003416,68.26279863,31.08374443,0,0,0,6.992481333,7.238456,7.038424667,7.101644,6.895872,6.718464,0,0,0,1.226041937,1.592217364,1.141920981,1.174631454,0.741915752,0.444612905,0,0,0,165.54322,145.6002072,160.6576799,155.0647718,170.7864946,184.917652,0,0,0,1.918518519,2.428571429,1.833333333,2,1.444444444,1,0,0,0,0.030208386,0.002141191,-0.007363347,-0.024577509,0.001278007,0.013417465,0,0,0,403.5533633,-53.80711511,40.35533633,-309.3909119,-121.066009,242.132018,0,0,0,750.4247115,-100.0566282,75.04247115,-575.3256121,-225.1274134,450.2548269,0,0,0,0.079053333,-0.010540444,0.007905333,-0.060607556,-0.023716,0.047432,0,0,0,3.354747616,-0.447299682,0.335474762,-2.571973172,-1.006424285,2.01284857,0,0,0,18.22304229,-2.429738973,1.822304229,-13.97099909,-5.466912688,10.93382538,0,0,0,2.992592593,-0.93382716,0.908148148,-2.092839506,-1.12,1.742222222,0,0,0,0.002013892,1.53E-04,-3.07E-04,-0.00111716,4.73E-05,7.45E-04,0,0,0,26.90355756,-3.843365365,1.681472347,-14.06322327,-4.483926259,13.45177878,0,0,0,50.0283141,-7.146902014,3.126769631,-26.15116419,-8.33805235,25.01415705,0,0,0,0.005270222,-7.53E-04,3.29E-04,-0.002754889,-8.78E-04,0.002635111,0,0,0,0.223649841,-0.031949977,0.013978115,-0.116907871,-0.037274974,0.111824921,0,0,0,1.214869486,-0.173552784,0.075929343,-0.635045413,-0.202478248,0.607434743,0,0,0,0.199506173,-0.06670194,0.037839506,-0.095129068,-0.041481481,0.096790123,0,0,0,0.075943586,-0.152344849,-0.554726506,0.023503541,0.370136317,0,0,0,-0.142857143,0.0625,-0.522727273,-0.166666667,0.5,0,0,0,-0.142857143,0.0625,-0.522727273,-0.166666667,0.5,0,0,0,-0.142857143,0.0625,-0.522727273,-0.166666667,0.5,0,0,0,-0.142857143,0.0625,-0.522727273,-0.166666667,0.5,0,0,0,-0.142857143,0.0625,-0.522727273,-0.166666667,0.5,0,0,0,-0.334335219,0.189665842,-0.476822682,-0.207920792,0.485148515,0,0,0,1.199472011,1.386406537,1.775316849,0.588015063,1.43E-05,0,0,0,1.5,0.9625,1.622727273,0.933333333,0,0,0,0,1.5,0.9625,1.622727273,0.933333333,0,0,0,0,1.5,0.9625,1.622727273,0.933333333,0,0,0,0,1.5,0.9625,1.622727273,0.933333333,0,0,0,0,1.5,0.9625,1.622727273,0.933333333,0,0,0,0,1.726485149,0.703898515,1.630288029,1.03960396,0,0,0,0,12.59144058,6.295720288,9.123201958,12.59144058,2.518288115,6.299815432,-1.78E-15,0.025578131,0.005115626,-1.833008777,16.75409987,3.350819973,1.409321498,12.59144058,6.295720288,9.123201958,12.59144058,2.518288115,6.299815432,-1.78E-15,0.025578131,0.005115626,-1.833008777,16.75409987,3.350819973,1.409321498,12.59144058,6.295720288,9.123201958,12.59144058,2.518288115,6.299815432,-1.78E-15,0.025578131,0.005115626,-1.833008777,16.75409987,3.350819973,1.409321498,12.59144058,6.295720288,9.123201958,12.59144058,2.518288115,6.299815432,-1.78E-15,0.025578131,0.005115626,-1.833008777,16.75409987,3.350819973,1.409321498,12.59144058,6.295720288,9.123201958,12.59144058,2.518288115,6.299815432,-1.78E-15,0.025578131,0.005115626,-1.833008777,16.75409987,3.350819973,1.409321498,12.59144058,6.295720288,9.123201958,12.59144058,2.518288115,6.299815432,-1.78E-15,0.025578131,0.005115626,-1.833008777,16.75409987,3.350819973,1.409321498,13.52544494,6.749389138,9.685484733,13.50944494,2.701888989,6.751858388,-0.026666667,0.042162406,0.008432481,-1.583113155,17.95256293,3.590512587,1.443866443,0,11.89,12.11005553,-0.173417077,0.049537652,5.301742651,7.065138513,4,14,13,13,3,1,1,0,0,1,10.93207,3.497040049,2.651869517,2.333552793,1.671971934,0.356070345,0.083923071,0.083923071,0.083923071,1.844031176,1.408750484,1.249629723,0.672400974,0.083923071,0.083923071,0.083923071,0.083923071,3.518085437,2.707494585,2.405454588,1.751802349,0.481023262,0.270913902,0.270913902,0.270913902,1.788895093,1.30824966,1.134540686,0.548519172,0.270913902,0.270913902,0.270913902,0.270913902,3.614795232,2.945683964,2.704236987,2.081423913,0.959218533,0.943918427,0.943918427,0.943918427,1.63490963,0.991666913,0.76031856,0.14278982,0.943918427,0.943918427,0.943918427,0.943918427,3.533814008,2.748193567,2.457539916,1.809545567,0.569417198,0.399277246,0.399277246,0.399277246,1.754477933,1.242410912,1.058262671,0.466249758,0.399277246,0.399277246,0.399277246,0.399277246,3.664326084,3.056830088,2.838982085,2.228586844,1.207644823,1.207644823,1.207644823,1.207644823,1.589649667,0.886510187,0.631337262,0.001402598,1.150753904,1.207644823,1.207644823,1.207644823,3.530483688,2.806087301,2.527114381,1.868779267,0.613411865,0.517241379,0.517241379,0.517241379,1.740350938,1.169007688,0.975390243,0.392162117,0.517241379,0.517241379,0.517241379,0.517241379,0,0,0,1,1,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.288675135,0,0,0,0.40824829,0,0,0.288675135,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,4.077350269,1.866025404,1.366025404,0.577350269,0,0,0,0,0.815470054,0.466506351,0.341506351,0.288675135,0,0,0,0,7.709139019,14.43918427,13.62745098,13.8,8.992772455,115.1412754,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.89869,24.835,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,3,0,1,0,0,0,0,0,0,0,0,3,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.462962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331944444,0,0,0,0.870833333,0,0.331944444,0,0,0,0,0,0,0,0,6.203703704,0,0,0,2.083333333,0,0,0,0,1.37962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.37962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331944444,0,0,0,0.290277778,0,0.331944444,0,0,0,0,0,0,0,0,2.037037037,0,0,0,2.083333333,0,0,0,0,1.37962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.331944444,0,0,0,0.290277778,0,0.331944444,0,0,0,0,0,0,0,0,2.083333333,0,0,0,2.083333333,0,0,0,0,1.37962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.666666667,1.933333333,0.331944444,2.083333333,0.097222222,1.37962963,3.068805556,0.287037037,0.083333333,0.574074074,0.287037037,0.083333333,0.574074074,2.5,0.5,0,0,0.43333,0.7,0.41765,0.41765,0.7,0.01569,0.01569,0,0,0.71429,0,0,0.6,0.2,0,3,0.6,2,0.4,1,0.2,-1,-0.2,0,0,3.50831,0.70166,4.43249,0.92419,0.18484,1.61803,0.32361,2.27005,0.65201,0.1304,0.14395,0.02879,0.14395,0.02879,0,4,0,0,0,0,0,0,0.6,0.918295834,1.687943095,1.871602261,2.422579762,1.901661016,0.993156857,13.77443751,25.31914642,28.07403392,36.33869643,28.52491524,14.89735285,0.235045188,0.43204258,0.479051618,0.620078731,0.486745397,0.254206467,2.988594762,2.218947501,2.035288334,1.484310834,2.00522958,2.913733739,0.235045188,0.43204258,0.479051618,0.620078731,0.486745397,0.254206467,6.73287657,12.53178928,14.73569928,15.2909882,9.039963247,1.000928341,19.74937501,15.7245272,13.57936725,14.16553733,11.04002485,4.565784285,5,2.25,4,5,2,4,2.01,0.7701,1.144714243,1.889881575,2.381101578,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.076,0.203,0.184,2.186,4,2,0,0,0,0,0,0,0,15,1.791759469,2.079441542,1.609437912,0,0,0,0,0,0,0,3.091042453,1.4,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.75,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,0,92.39992313,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,70.07825032,4.671883355,8.696801932,1.739360386,0,0,0,18,2,2.372,16,1.199294422,2.069147247,3.035550061,3.665852069,4.244500355,0,0,0,0,0,69.75685703,73.04967236,73.99993576,22.77739032,4.312684009,0,0,0,0,0,266.6620548,311.2141081,413.7740082,257.6510003,131.9349643,0,0,0,0,0,8.712886685,14.63953104,21.58941936,25.31460354,28.51652283,0,0,0,0,0,2.035705995,2.561746277,3.655281767,2.779004996,1.887159632,0,0,0,0,0,172.6347788,326.9159899,468.4297641,623.2617253,784.8830397,0,0,0,0,0,3.027020069,4.033408006,6.186659002,5.383696156,4.244500355,0,0,0,0,0,0.42262408,0.540328557,0.778184659,0.611758598,0.434636836,0,0,0,0,0,286.9450881,86.93423574,8.877233537,101.3904523,-30.7177291,-6.171213331,185.5546358,117.6519648,15.04844687,0.73891019,0.223863712,0.022859699,0.26108981,-0.079100999,-0.015891446,111.4309759,33.75965342,3.447345283,39.37351609,-11.92878593,-2.396501464,0.187707827,0.291737422,6.606598253,7.972856448,388.3355404,0,1,0,270.9371714,16.46016924,6.470773489,371.2279306,19.26727616,7.186987367,387.6779744,19.68953972,7.291614656,1.31471475,1.054241975,192.7976549,139.8787405,62.53192064,1.378319923,3.083187801,2.236917387,3.267037691,3.213104801,5.291400034,0.646818377,4.145020249,3.100086518,1.342345925,5.706615063,4.544694593,6.794643639,2.517138971,3.116687908,1.982738659,0.025745345,3.11E-22,7.24E-64,3.25E-127,2.82E-212,4.7127E-319,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.347867677,3.093455726,0.108697919,3.852419769,1.205657942,0.30269967,0.411631967,0.185250708,0.013964655,1.81E-04,2.19E-24,5.10E-66,2.29E-129,1.99E-214,3.315E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.122947469,3.093898895,0.353496771,4.110912589,1.728361902,1.153432768,0.662790138,0.648295565,0.145521966,0.001889563,2.28E-23,5.32E-65,2.39E-128,2.07E-213,3.4585E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.91256129,3.099358546,1.264341201,5.550654787,4.284080127,6.229380561,2.325051256,2.889354285,1.766584494,0.022938639,2.77E-22,6.45E-64,2.90E-127,2.51E-212,4.1989E-319,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.655015448,3.094473409,0.523626409,4.323986719,2.134351973,1.878296837,0.888238531,1.006341832,0.316092996,0.004104383,4.96E-23,1.15E-64,5.19E-128,4.50E-213,7.513E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.005711146,3.103147523,1.633980065,6.33226202,5.573444714,9.078117799,3.300100918,4.012758344,2.891637783,0.037547166,4.53E-22,1.06E-63,4.75E-127,4.11E-212,6.87305E-319,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.217908086,2.938205772,0.629126668,4.651327018,2.637248122,2.676507481,1.172217765,1.402109242,0.530459438,0.006887875,8.32E-23,1.94E-64,8.71E-128,7.54E-213,1.26086E-319,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.855037969,1.457851517,0.317945605,0.61652767,0.314813956,0.572965215,0.505995519,0.399991206,4.630835092,5.533485693,11.4876808,0.424791505,1.478951941,1.927310927,0.829580183,0.068544059,0.68212888,0.293611473,0.262915402,0.165860319,0.018590216,2.825435169,1.787827459,4.72285491,0.52319332,0.447365936,2.295025702,1.079857457,0.167598258,0.647858219,0.304830804,0.371391801,0.279678342,0.111143429,3.542481417,3.043925158,7.001765442,0.471787329,0.762213572,2.832004038,1.442363312,0.311771126,0.617513852,0.314504963,0.563805088,0.495446844,0.384606459,4.586138476,5.417403046,11.27705758,0.426270779,1.443858391,2.459280949,1.191066702,0.211750792,0.636773243,0.308398846,0.42595304,0.339501959,0.177416855,3.862098443,3.702131655,8.184483667,0.455159864,0.942871854,2.927167762,1.506324246,0.337276253,0.613563184,0.315740393,0.602133213,0.539710063,0.450107571,4.770768261,5.904575342,12.16248356,0.420344775,1.591950847,2.832366963,1.442112884,0.311282075,0.6176437,0.314476178,0.56395932,0.495303897,0.383400801,4.585761923,5.415161847,11.27238432,0.426465551,1.442664018 +UMLYSI0226,L,5-methyl-3-heptanone,CCC(C)CC(=O)CC,saturated alkanone,C8H16O,541-85-5,7822,PubChem,,43.5,0,-0.2462,0.06061444,37.6887,25.550688,0,0,25,9,16,0,8,0,1,0,0,0,0,0,0,0,1426.337993,1395.726244,1696.939705,1648.510176,1339.832014,922.674192,399.567337,93.979872,9.144576,4101.865902,5103.133676,6696.761042,7048.358107,6096.186048,4534.060344,2909.432333,1341.178331,279.7536999,181.171268,176.699608,324.296116,415.904784,413.462344,348.418056,237.176164,183.793536,60.466176,30.06821048,38.67834896,54.2613983,58.9509492,52.9245122,40.4226857,27.98988068,16.01813686,4.001516144,4158.488567,3490.864584,7088.200119,9302.811529,9482.64833,8162.71454,5536.237426,4802.005979,1664.258868,88.30555556,57.66666667,89.72222222,129.8333333,128.25,107.5,67,33,9,57.05351972,58.15526017,37.70977122,28.92123116,23.50582481,19.222379,12.10810112,3.480736,1.016064,164.0746361,212.6305698,148.8169121,123.6554054,106.9506324,94.45959051,88.16461616,49.67327153,31.08374443,7.24685072,7.362483667,7.206580356,7.296575158,7.253725333,7.2587095,7.187156485,6.807168,6.718464,1.202728419,1.611597873,1.205808851,1.034227179,0.928500214,0.842139285,0.848178202,0.593264328,0.444612905,166.3395427,145.452691,157.5155582,163.2072198,166.3622514,170.0565529,167.7647705,177.8520733,184.917652,3.532222222,2.402777778,1.99382716,2.277777778,2.25,2.239583333,2.03030303,1.222222222,1,0.134901236,-0.046950766,-0.006589521,-0.015031283,0.014302561,0.003011862,-0.025835572,0.004780861,0.00486124,768.774544,-47.36742976,4.322204,-160.0793311,-130.1775783,-70.27507972,-320.0326833,186.4085269,152.8140992,1217.082179,-96.77620442,-144.0179993,-237.5931073,-222.7081805,27.59924178,-430.9386055,255.6353859,240.2583799,1.10707456,-0.003873818,0.111863552,-0.200610157,-0.163255917,-0.270857555,-0.245133459,0.142550995,0.075779078,5.405687815,-0.45802099,-1.07609976,-0.980355023,-1.02831522,0.472879775,-1.504186168,0.912218015,0.959035463,29.76971422,-2.530394954,-6.558372701,-5.263000192,-5.71135576,3.063187019,-7.510449991,4.597779648,5.027749819,35.01555556,-1.1616,1.684222222,-5.1388,-5.0188,-5.5332,-7.1972,2.9532,1.9044,0.005396049,-0.001956282,-1.46E-04,-2.64E-04,2.51E-04,6.27E-05,-7.83E-04,1.77E-04,5.40E-04,30.75098176,-1.973642907,0.096048978,-2.808409317,-2.283817163,-1.464064161,-9.697960101,6.904019516,16.97934436,48.68328717,-4.032341851,-3.200399985,-4.168300128,-3.907161061,0.574984204,-13.05874562,9.467977255,26.69537554,0.044282982,-1.61E-04,0.002485857,-0.003519476,-0.002864139,-0.005642866,-0.007428287,0.005279666,0.008419898,0.216227513,-0.019084208,-0.023913328,-0.017199211,-0.018040618,0.009851662,-0.045581399,0.033785852,0.106559496,1.190788569,-0.105433123,-0.145741616,-0.092333337,-0.100199224,0.063816396,-0.227589394,0.170288135,0.558638869,1.400622222,-0.0484,0.03742716,-0.090154386,-0.088049123,-0.115275,-0.21809697,0.109377778,0.2116,-0.362539654,-0.027137222,-0.04887033,0.046501078,0.011628346,-0.145086906,0.032814546,0.100098736,-0.06418146,0.003123444,-0.091327468,-0.074268106,-0.047610323,-0.315370747,0.224513792,0.552156172,-0.082828052,-0.065739192,-0.085620762,-0.080256722,0.01181071,-0.268238781,0.194481059,0.548347844,-0.003644946,0.056135711,-0.079476951,-0.064678094,-0.12742741,-0.167745853,0.11922563,0.190138449,-0.08825985,-0.110593364,-0.079542195,-0.083433499,0.045561556,-0.210802957,0.156251404,0.492811921,-0.088540591,-0.122390842,-0.077539657,-0.084145268,0.05359171,-0.19112494,0.143004509,0.46913355,-0.03455607,0.02672181,-0.064367382,-0.062864291,-0.082302707,-0.155714343,0.078092276,0.151075712,1.154408997,0.787256527,1.241055124,1.153404801,1.253969813,1.098648877,0.145826626,1.58E-05,1.27017752,1.018900371,1.116868364,1.050561328,1.00049186,1.235139936,0.419944564,0,1.493936626,1.198923209,1.082139294,1.004255901,0.83267253,1.151003295,0.49326149,0,0.543739349,0.534287892,1.288729821,1.279709937,1.545320489,1.236013655,0.057125933,0,1.559118204,1.265878051,1.080616296,1.002225237,0.783786347,1.086911141,0.496476708,0,1.562487086,1.274887389,1.083823057,1.006500919,0.781259685,1.06846546,0.489706879,0,0.572761312,0.542404434,1.276959614,1.288149294,1.513018024,1.241006883,0.076156629,0,43.76767664,22.00883832,33.47137482,43.96212109,4.884680121,22.00883832,0.25,0.035443049,0.003938117,-3.005845313,60.25928025,6.695475583,3.688790931,43.76946515,22.00936537,33.47199233,43.96333838,4.884815376,22.00936537,0.249265579,0.035430042,0.003936671,-3.006175646,60.27021836,6.696690928,3.688954281,45.37120182,22.48610367,34.03839872,45.06087278,5.006763642,22.48610367,-0.398994478,0.022945763,0.002549529,-3.397159769,78.6440173,8.738224145,3.928438403,43.77134227,22.00991853,33.47264046,43.964616,4.884957334,22.00991854,0.2484948,0.03541639,0.003935154,-3.006522526,60.28171013,6.697967793,3.689125869,47.10340304,23.01055439,34.68396213,46.26161861,5.140179845,23.01055439,-1.082294264,0.007074348,7.86E-04,-4.456151973,110.723081,12.30256456,4.236329087,43.95520415,22.06416917,33.53629767,44.08986407,4.898873786,22.06416917,0.173134186,0.034069078,0.003785453,-3.041428587,61.46911224,6.829901361,3.706681328,51.74877234,25.88650885,40.21795901,52.06796877,5.785329863,25.88650885,0.574553571,0.099397089,0.011044121,-2.07776921,35.38703533,3.931892815,3.209710968,0,11.89,15.99491664,-0.299197364,0.132709035,4.508213963,8.194069012,8,24,23,23,7,1,1,0,0,1,18.449312,3.603668861,3.264388199,2.768476411,2.602033645,2.058996627,1.694659753,1.559092045,0.959314959,1.908449192,1.701099717,1.461113037,1.247423299,0.903795177,0.803286523,0.383194849,0.182778239,3.583631223,3.260662039,2.811125928,2.594455241,2.054799618,1.775842591,1.512091201,1.071159406,1.868388864,1.645432044,1.367789372,1.177447696,0.801649155,0.668826775,0.333966496,0.189070428,3.708658363,3.422700784,3.032689427,2.856155135,2.388196935,2.151190247,1.960106507,1.565654997,1.699562805,1.423138532,1.070913214,0.852084269,0.396362824,0.216556428,0.147309598,0.36404785,3.590732812,3.274095321,2.846774553,2.616854128,2.087379182,1.839775952,1.513855386,1.152916755,1.846170075,1.61102976,1.307385665,1.134161164,0.739382428,0.579223617,0.338099981,0.09175116,3.747899474,3.482294075,3.133607494,2.94448595,2.5050857,2.314599143,2.059624476,1.768719847,1.658208306,1.364542259,0.974735289,0.76189972,0.275418128,0.058050558,0.241172584,0.558265352,4.856224053,3.468109227,3.160524625,2.952775544,2.505334863,2.036188014,1.91841105,1.275711209,1.799823289,1.481871994,1.172655157,0.920316738,0.544583036,0.449735088,0.01273783,0.479265182,0,0,0,1,0,3,3,1,0,0,0,0,0,0,0,0,0,0,0,0.577350269,0,0,0,0.390737207,0,0,0,0.910683603,0.902368927,0.922588984,0.59400034,0.464843002,0.446975275,7.276020882,4.201907263,3.262542272,2.198584704,1.020220057,0.569035594,0.11785113,0,0.808446765,0.525238408,0.362504697,0.274823088,0.170036676,0.142258898,0.11785113,0,6.606918903,3.719291339,2.609772676,1.667393606,0.677333673,0.407387278,0.102062073,0,0.7341021,0.464911417,0.289974742,0.208424201,0.112888945,0.101846819,0.102062073,0,13.04942153,24.43335761,23.15294118,23.48,14.86867545,192.3805617,0.521976861,0.977334304,0.926117647,0.9392,0.594747018,7.695222467,2.4017,39.37,23.068725,34.63549724,46.13745001,5.126383334,23.06872501,2.22E-16,2.47E-17,-32.43928805,2000019.058,222224.3397,13.05780054,72,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,2,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.78111111,0.392916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.190555556,0.802777778,0,0,0,0,0,0,0,0,0,0,6.158611111,0,2.586388889,0,0,0,0.580972222,0,0,0.392916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.78111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.78111111,0.392916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.244722222,0.401388889,0,0,0,0,0,0,0,0,0,0,1.921342593,0,0.69875,0,0,0,0.580972222,0,0,0.392916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.78111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.78111111,0.392916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.118657407,0,1.116805556,0,0,0,0.580972222,0,0,0.392916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.78111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.5,2.277777778,0.43125,10.78111111,0.244722222,0.392916667,4.098671389,1.27375,3.781111111,8.036759259,1.27375,3.781111111,8.036759259,4.33333,0.48148,0,0.01852,0.47467,0.78519,0.42414,0.47467,0.78519,0.05053,0,-0.05053,0,0.61321,0.10108,0,0.42308,0.23077,0,5.75,0.63889,4.25,0.47222,1.5,0.16667,-2.75,-0.30556,0,0,8.39235,0.93248,10.52199,2.12964,0.23663,3.51373,0.39041,4.20189,0.68816,0.07646,0.21211,0.02357,0.21211,0.02357,0,8.01,1,1,1,1,0,0,0.875,1.12385619,1.81366069,3.022683189,3.83326969,3.75326969,3.437710942,28.09640474,45.34151724,75.56707973,95.83174224,93.83174224,85.94277355,0.242009258,0.390550572,0.650899396,0.825449698,0.808222636,0.740270758,3.52,2.8301955,1.621173001,0.8105865,0.8905865,1.206145248,0.242009258,0.390550572,0.650899396,0.825449698,0.808222636,0.740270758,9.698823506,17.9764775,21.28562286,22.98192622,22.02192622,19.66205503,33.32875244,21.52801013,18.90766509,15.64064827,16.90969924,16.20028574,9,4.839506173,4.5,9,1,7,2.23,1.2515,0.66943295,3.623245714,2.498049533,0,1.190550789,4.160167646,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.437,0.423,0.559,0.164,4.158,9,8,6,4,1,0,0,0,0,45,2.302585093,2.48490665,2.397895273,2.197224577,1.791759469,0.693147181,0,0,0,0,3.988984047,1.177777778,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.5,7,0.875,0,3,6,1,2.5,0.888888889,0.5,0.24,0.055555556,0,0,0,0,0,0.3125,0.098765432,0.0625,0.04,0.013888889,0,0,0,0,0,0.527654321,23.068725,34.63549724,46.13745001,5.126383334,23.06872501,2.22E-16,2.47E-17,-32.43928805,2000019.058,222224.3397,13.05780054,17.07,153.0781037,4.169925001,3.555348061,4.234106505,4.976733742,5.680172609,6.428105273,7.136483209,7.885705391,8.59507973,9.344608993,74.83634351,2.833213344,0,3.970291914,0,5.283203729,0,6.66057515,0,8.069968149,8.354674262,128.1201151,5.124804605,16.48648897,1.831832108,2.434263545,2.434263545,0,100,8,2.337,34,1.235375,2.131592444,2.9043669,3.576257123,4.527784637,5.690574863,6.610200667,8.008513905,0,0,82.57073002,90.57812602,91.74673533,95.72308822,101.3447362,77.87607818,25.67726643,8.137162673,0,0,288.0075883,343.2034678,382.6645242,421.1900318,472.4761312,536.6877447,348.4802103,248.9345995,0,0,9.127084548,15.44931426,21.25063952,25.89699613,32.77255812,40.9257021,45.09280076,53.80491237,0,0,2.129262229,2.720137714,3.147678675,3.585480603,4.122226826,5.077078088,4.082565438,3.560688631,0,0,177.5103941,331.7110507,470.6050443,586.6019912,759.4268744,945.3188814,1167.986837,1480.915588,0,0,3.019361111,4.454876959,6.704765258,7.840508558,9.968402263,11.61089548,8.31977045,8.008513905,0,0,0.451450938,0.594749879,0.70721573,0.80926121,0.941103886,1.142167619,0.91212135,0.820071824,0,0,385.6494787,221.9429111,10.32957371,150.6707509,-86.71165638,-13.85950451,234.9787277,308.6545675,24.18907822,0.719065695,0.413825358,0.019260086,0.280934305,-0.161678884,-0.025841845,206.831617,119.032473,5.539959345,80.80777174,-46.50521546,-7.433132641,0.230460114,0.51984103,0.695775341,10.65922728,515.8154471,20.50478255,0.96176765,0.03823235,568.4587366,23.84237271,8.283864411,723.4513139,26.89705028,8.977107722,1014.168351,31.84600997,10.04700653,2.169037425,2.14100944,768.371725,710.4547289,110.2959289,1.081521023,6.966455906,6.441350432,4.384523978,4.506257365,8.777254584,0.947792563,4.475623891,6.726749418,3.499328971,19.4371658,7.967587324,5.021178511,5.758370247,13.8989279,8.948891553,6.053446997,3.137474028,6.765935874,8.295667909,0.300943609,3.684139463,0.978442893,0.014004168,4.12E-23,2.34E-65,2.56E-129,5.42E-215,2.17E-322,0,0,0,0,0,0,0,0,0.392101864,6.726506253,0.275330118,7.676209374,0.970867076,0.228360082,0.685644912,0.717655495,4.073535457,0.255473366,0.172897463,0.316954481,0.369643346,0.158726677,0.30898758,0.006891253,9.86E-05,2.90E-25,1.65E-67,1.81E-131,3.81E-217,0,0,0,0,0,0,0,0,0,1.218374691,6.726405214,0.752774511,8.609210376,1.529109286,0.785855229,1.411172961,2.392919519,4.018020002,0.986055129,0.614339444,1.120495681,1.408427057,0.168229882,0.997579197,0.071812173,0.001027827,3.03E-24,1.72E-66,1.88E-130,3.97E-216,2.0E-323,0,0,0,0,0,0,0,0,4.229734703,6.726781246,3.581910457,18.93242276,7.806910261,4.76070041,5.368556633,13.21303044,8.783130578,5.55001536,2.898171644,6.189710389,7.60558061,0.285329432,3.477391675,0.871775003,0.012477461,3.67E-23,2.09E-65,2.28E-129,4.82E-215,2.0E-322,0,0,0,0,0,0,0,0,1.788084699,6.726385745,1.046979878,9.615896631,2.024747345,1.2474131,2.001218398,3.722647958,4.31786714,1.61907785,0.965954664,1.824372373,2.293462391,0.180551298,1.470379332,0.155985635,0.002232577,6.57E-24,3.73E-66,4.09E-130,8.63E-216,4.0E-323,0,0,0,0,0,0,0,0,5.404987032,6.726932467,4.627812777,24.2087729,11.19053281,6.874608554,7.407301604,18.74805361,11.19688457,8.145841151,4.089631762,9.105432203,11.0833557,0.366599124,4.449773581,1.426967004,0.020423763,6.01E-23,3.41E-65,3.74E-129,7.90E-215,3.16E-322,0,0,0,0,0,0,0,0,2.829118777,5.961501065,3.701221152,16.57649498,7.083984951,3.485907606,3.269025643,9.159908884,10.24384988,2.80661048,1.652472489,3.445636542,3.926246847,0.27183667,2.586590355,0.343595859,0.004917787,1.45E-23,8.22E-66,9.00E-130,1.90E-215,7.9E-323,0,0,0,0,0,0,0,0,6.949139076,1.113155033,0.584940607,0.803625587,0.128729596,0.533513461,0.471598132,0.490362824,8.647234716,12.45143235,25.62345708,0.705438381,1.495474417,5.378613978,0.66330241,0.209898167,0.860328458,0.106097582,0.319201749,0.171630631,0.06177687,6.251814555,4.835834789,11.83649204,0.790492688,0.55260925,6.136834677,0.815558919,0.352123972,0.840142367,0.111651305,0.415718201,0.25376022,0.178430639,7.304517567,7.4530547,16.51993523,0.76021355,0.84790906,6.842219633,1.101898004,0.573642496,0.803288602,0.129364761,0.516995787,0.463888537,0.47396958,8.517760133,12.09651163,24.93920815,0.704932904,1.454853905,6.459104639,0.896971191,0.418830815,0.830762983,0.115367455,0.460870275,0.305149322,0.250230307,7.774906645,8.874582016,19.07603976,0.746144475,1.016249905,7.032093738,1.152170308,0.614739967,0.799192014,0.130943264,0.546320985,0.505658008,0.542198935,8.799004012,13.13336381,26.9130953,0.698788021,1.594177928,6.851343155,1.104059939,0.574555267,0.803209449,0.129433215,0.518347071,0.465813107,0.475528202,8.529958361,12.13511225,25.01117528,0.704814174,1.45968838 +UMLYSI0227,L,"2,2-dimethylbutane",CCC(C)(C)C,linear alkanes,C6H14,75-83-2,6403,PubChem,,43.4,0,1.8631,3.47114161,29.4773,19.895102,0,0,20,6,14,0,6,0,0,0,0,0,0,0,0,0,879.809622,890.819837,1216.771087,874.743915,263.650464,27.433728,0,0,0,2976.273833,3723.897138,5204.492852,5587.571361,3464.027594,839.2610996,0,0,0,139.301592,137.349428,254.005756,319.167084,430.448256,181.398528,0,0,0,22.95798067,29.53412034,43.11897672,51.12197259,40.0513783,12.00454843,0,0,0,3349.613265,2777.687448,5741.450732,7002.300698,11077.5002,4992.776605,0,0,0,33.8125,39.375,58.75,83.25,81,27,0,0,0,43.9904811,46.88525458,33.79919686,19.43875367,4.184928,1.016064,0,0,0,148.8136916,195.9945862,144.5692459,124.1682525,54.98456499,31.08374443,0,0,0,6.9650796,7.228917263,7.055715444,7.092601867,6.832512,6.718464,0,0,0,1.147899033,1.554427386,1.197749353,1.136043835,0.635736163,0.444612905,0,0,0,167.4806632,146.1940762,159.4847426,155.6066822,175.8333365,184.917652,0,0,0,1.690625,2.072368421,1.631944444,1.85,1.285714286,1,0,0,0,0.027048336,-0.007822236,0.012698697,-0.033070684,8.65E-05,0.0145836,0,0,0,508.4772378,-59.32234441,150.1218512,-671.9163499,32.68782243,294.1904019,0,0,0,945.5351364,-110.3124326,279.1579927,-1249.457145,60.78440163,547.0596147,0,0,0,0.0996072,-0.01162084,0.02940784,-0.1316238,0.00640332,0.05762988,0,0,0,4.226981996,-0.4931479,1.247966113,-5.585654781,0.271734557,2.445611012,0,0,0,22.96103329,-2.678787217,6.778971734,-30.34136542,1.476066426,13.28459783,0,0,0,3.184375,-2.06578125,2.505625,-2.83359375,-0.72140625,1.52296875,0,0,0,0.001352417,-4.12E-04,3.53E-04,-7.35E-04,1.37E-06,5.40E-04,0,0,0,25.42386189,-3.122228653,4.170051421,-14.93147444,0.518854324,10.89594081,0,0,0,47.27675682,-5.805917504,7.754388685,-27.76571432,0.964831772,20.26146721,0,0,0,0.00498036,-6.12E-04,8.17E-04,-0.002924973,1.02E-04,0.00213444,0,0,0,0.2113491,-0.025955153,0.034665725,-0.124125662,0.004313247,0.090578186,0,0,0,1.148051665,-0.140988801,0.18830477,-0.674252565,0.023429626,0.492022142,0,0,0,0.15921875,-0.108725329,0.069600694,-0.06296875,-0.011450893,0.05640625,0,0,0,-0.304415507,0.26082313,-0.543400581,0.001014699,0.39938378,0,0,0,-0.122807018,0.164021164,-0.587301587,0.020408163,0.428571429,0,0,0,-0.122807018,0.164021164,-0.587301587,0.020408163,0.428571429,0,0,0,-0.122807018,0.164021164,-0.587301587,0.020408163,0.428571429,0,0,0,-0.122807018,0.164021164,-0.587301587,0.020408163,0.428571429,0,0,0,-0.122807018,0.164021164,-0.587301587,0.020408163,0.428571429,0,0,0,-0.68286762,0.437138807,-0.39548577,-0.071919249,0.354268891,0,0,0,1.846346304,0.746388332,1.811746608,0.738389048,8.64E-05,0,0,0,1.666666667,1.005291005,1.80952381,0.646258503,0,0,0,0,1.666666667,1.005291005,1.80952381,0.646258503,0,0,0,0,1.666666667,1.005291005,1.80952381,0.646258503,0,0,0,0,1.666666667,1.005291005,1.80952381,0.646258503,0,0,0,0,1.666666667,1.005291005,1.80952381,0.646258503,0,0,0,0,2.276741904,0.393632101,1.752698724,0.852376279,0,0,0,0,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,19.34042204,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,-1.78E-15,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,26.56077704,13.17483296,19.33341161,26.4200363,4.403339383,13.17483643,-0.211111111,0.108656501,0.018109417,-1.331738243,15.87117691,2.645196152,1.658702815,0,11.89,12.11007471,-0.159565128,0.061612327,5.441369373,8.276237026,5,19,19,19,5,0,0,0,0,0,15.304898,3.536230485,2.795885565,2.333552793,2.333552793,1.693926432,0.465682028,0.083923071,0.083923071,1.921652917,1.500448501,1.249629723,1.249629723,0.81785388,0.083923071,0.083923071,0.083923071,3.56118879,2.847396164,2.405454588,2.405454588,1.785944101,0.570324438,0.270913902,0.270913902,1.863549726,1.406028797,1.134540686,1.134540686,0.682533265,0.270913902,0.270913902,0.270913902,3.672933425,3.068012018,2.704236987,2.704236987,2.161906112,0.966354631,0.943918427,0.943918427,1.695601312,1.110688948,0.76031856,0.76031856,0.231160645,0.943918427,0.943918427,0.943918427,3.579687853,2.885071364,2.457539916,2.457539916,1.852274019,0.643930482,0.399277246,0.399277246,1.826788205,1.34435721,1.058262671,1.058262671,0.591986566,0.399277246,0.399277246,0.399277246,3.728423245,3.171248505,2.838982085,2.838982085,2.327576178,1.207644823,1.207644823,1.207644823,1.644327546,1.013150497,0.631337262,0.631337262,0.071241004,1.124405589,1.207644823,1.207644823,3.546835522,2.964324052,2.591598066,2.591598066,1.911717882,0.614226055,0.558139535,0.558139535,1.844600938,1.249661423,0.917179462,0.917179462,0.500980685,0.558139535,0.558139535,0.558139535,0,0,0,0,0,4,1,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.560660172,0.353553391,0,0,1.060660172,0.353553391,0,1.060660172,0.353553391,0,5.207106781,2.560660172,2.914213562,1.060660172,0,0,0,0,0.86785113,0.512132034,0.416316223,0.353553391,0,0,0,0,5.207106781,2.560660172,2.914213562,1.060660172,0,0,0,0,0.86785113,0.512132034,0.416316223,0.353553391,0,0,0,0,9.792794627,19.21485798,18.07843137,18.32,11.58988144,154.455091,0.489639731,0.960742899,0.903921569,0.916,0.579494072,7.722754551,2.4425,29.746,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,4,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,8.9375,0,1.270833333,0,0,0,0,0,0,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.208333333,0,1.270833333,0,0,0,0,0,0,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.243055556,0,1.270833333,0,0,0,0,0,0,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.75,1.791666667,0.2,2.243055556,0,0.541666667,4.60625,0.708333333,0.243055556,1.875,0.708333333,0.243055556,1.875,3,0.5,0,0,0.42,0.7,0.42,0.42,0.7,0,0,0,0,0.71429,0,0,0.66667,0,0.16667,2.5,0.41667,2.5,0.41667,0,0,-2.5,-0.41667,0,0,6.37132,1.06189,6.37132,0,0,2.56066,0.42678,2.56066,0,0,0.35334,0.05889,0.35334,0.05889,0,5,0,0,0,0,0,0,1,0.881290899,1.256779649,1.833206219,2.319973094,1.887780285,0.928946231,17.62581798,25.13559299,36.66412439,46.39946188,37.75560569,18.57892462,0.203911514,0.29079143,0.424163979,0.536791229,0.436791229,0.214937919,3.440637196,3.065148445,2.488721876,2.001955001,2.43414781,3.392981864,0.207463733,0.295857132,0.431553084,0.546142345,0.444400305,0.218682223,6.616095946,11.12196095,13.48644029,13.97701613,8.79070242,0.936215265,23.80204551,18.78122881,17.25008029,17.84117505,15.2480182,5.897247046,6,1.632653061,5.333333333,6,0,4,2.12,0.954,2.449489743,2.37841423,0,3.363585661,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.136,0.111,0.048,0.019,2.356,7,3,0,0,0,0,0,0,0,21,1.791759469,2.079441542,1.386294361,0,0,0,0,0,0,0,3.091042453,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,5,1,0,2,3,0.5,3,0.666666667,0,0,0,0,0,0,0,0,0.6,0.095238095,0,0,0,0,0,0,0,0,0.695238095,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,0,112.3323665,3.584962501,3.218875825,3.80666249,4.634728988,5.252273428,6.084499413,6.708084084,7.5416831,8.166500319,9.000483165,65.41379081,2.397895273,0,3.663561646,0,5.081404365,0,6.532334292,0,7.989899375,8.256088134,86.10955045,4.305477522,10.46599026,1.74433171,0,0,0,28,3,3.73,24,1.220894737,2.101556087,2.934917348,3.419631249,3.913067792,0,0,0,0,0,67.74862772,82.03263662,59.95978494,14.84026213,3.975927313,0,0,0,0,0,263.8372191,335.2297699,373.2035547,192.0195147,121.6327992,0,0,0,0,0,8.859366903,14.89911472,20.8380043,23.38372301,26.28980509,0,0,0,0,0,2.030985313,2.708801968,3.389222297,2.205909959,1.739800438,0,0,0,0,0,176.3944505,330.0515217,455.0966696,599.7676578,723.5953084,0,0,0,0,0,2.573585526,3.615967564,5.499790533,4.444396674,3.913067792,0,0,0,0,0,0.422269342,0.569501942,0.724531065,0.491177962,0.400698142,0,0,0,0,0,325.8798931,108.8222762,7.732559734,125.1027355,-41.7760185,-7.344627997,200.7771575,150.5982947,15.07718773,0.722599658,0.241300372,0.017146026,0.277400342,-0.092633321,-0.016285833,146.9661708,49.07695619,3.487250114,56.4191605,-18.84025864,-3.31229964,0.080166546,0.194049974,1.603197168,9.739765541,450.9826286,0,1,0,310.4078457,17.6183951,6.770866172,446.0263509,21.11933595,7.640471717,517.0378379,22.73846604,8.026153148,1.267790508,1.186876342,191.6180182,191.1846161,114.4536037,1.00226693,1.674198207,1.670411502,3.43042054,3.220194404,5.261228039,0.633823111,3.904607748,4.742685896,2.393103584,20.60989535,2.971554359,5.339918716,6.656402721,6.657263391,2.472768236,0.006683872,3.96E-24,4.53E-67,9.99E-132,4.25E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,4.742376808,0.12889629,7.648359242,1.01893633,0.168563135,0.355225937,0.321131147,0.017415909,4.71E-05,2.79E-26,3.19E-69,7.04E-134,2.99E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,4.742398013,0.463496457,9.607608419,1.169499924,0.728339878,1.181598879,1.19319005,0.181487198,4.91E-04,2.91E-25,3.32E-68,7.33E-133,3.12E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,4.742652155,2.209359401,19.57354669,2.764279689,4.847931876,6.107976014,6.120334734,2.20319198,0.00595521,3.53E-24,4.04E-67,8.90E-132,3.79E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,4.742425006,0.731067991,11.15640069,1.346495635,1.259824479,1.88541151,1.916918129,0.394214446,0.001065558,6.32E-25,7.22E-68,1.59E-132,6.77E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,4.742827645,3.124668492,24.72276898,3.838617706,7.360678241,8.871683145,8.814486789,3.606300078,0.0097478,5.78E-24,6.61E-67,1.46E-131,6.20E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.345841756,3.656522772,0.91273544,13.8550974,1.892217798,2.193511644,3.134508877,3.18511084,0.770316119,0.002082158,1.23E-24,1.41E-67,3.11E-132,1.32E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.160427149,1.163294415,1.138901807,0.484115949,0.260675015,0.468132096,0.484978538,0.446551088,4.462623371,6.298605333,13.62353135,0.226173924,1.399661723,1.558334683,0.667003787,0.662931678,0.539539102,0.230935388,0.24544171,0.159440935,0.150969997,2.888270148,2.5146625,6.091993867,0.309308654,0.555852643,1.809074743,0.873897736,0.861615031,0.510376662,0.246544269,0.329525105,0.273693486,0.255312811,3.54458751,3.892635738,8.799390362,0.265564994,0.858531402,2.146641285,1.151949418,1.12804361,0.48493757,0.260231439,0.462235222,0.475565185,0.438063134,4.426634313,6.193776343,13.40986191,0.227406354,1.375863541,1.915750705,0.961821597,0.945930838,0.501045935,0.251555069,0.369039888,0.331537213,0.307841675,3.82350314,4.564594782,10.13107992,0.251568902,1.008418775,2.203248648,1.198529372,1.172619108,0.481647873,0.262008159,0.486688108,0.514802441,0.47342713,4.574397127,6.629648124,14.30053154,0.22247181,1.474917679,2.151506752,1.154466076,1.128907331,0.485133008,0.260315056,0.464235507,0.477645385,0.438757084,4.434880159,6.215978519,13.45488562,0.227699512,1.380637975 +UMLYSI0228,L,butyl propionate,CCCCOC(=O)CC,saturated esters,C7H14O2,590-01-2,11529,PubChem,,43.3,0,-0.5181,0.26842761,33.1737,23.259102,0,0,23,9,14,0,7,0,2,0,0,0,0,0,0,0,1536.009745,1467.311804,1694.072836,1488.030783,1121.728869,848.92992,668.391911,323.876617,84.835296,3832.572288,4632.085644,5588.243923,5201.538015,4269.08624,3556.288585,3001.467408,2127.761402,1061.424631,173.54554,167.45108,302.095048,353.60022,282.879588,225.489864,196.653476,174.31498,123.32736,27.03328867,33.55214034,43.60337522,41.41454635,33.08817632,29.07499639,25.79533674,19.97477611,12.01662072,3847.310193,3237.717434,6434.654723,7946.930751,6072.437037,4993.172325,4463.947687,4062.749184,3137.747111,95.02777778,59.75,105.9166667,115.3333333,105.5833333,71.41666667,63.5,52,24,66.78303239,66.69599109,42.3518209,31.66022943,31.15913525,28.297664,24.75525596,13.49485904,4.713072,166.6335777,210.5493475,139.7060981,110.6710216,118.5857289,118.5429528,111.1654595,88.65672507,58.96803508,7.545458261,7.611412727,7.5523762,7.523408936,7.857766333,7.5163288,7.283462074,7.263124167,6.85152,1.175360377,1.525097288,1.090084381,0.881160561,0.919116009,0.969166546,0.955382842,0.832282338,0.66759004,167.2743562,147.1689743,160.8663681,169.083633,168.6788066,166.4390775,165.3313958,169.281216,174.3192839,4.131642512,2.715909091,2.647916667,2.453900709,2.93287037,2.380555556,2.351851852,2.166666667,1.333333333,0.269290349,-0.164316495,0.053033938,0.021803902,-0.04854393,-0.012629294,0.02700286,-0.016175555,3.11E-04,799.1117029,-15.00476101,-5.477842469,114.2766405,-337.237464,-162.4015798,-87.98200789,-182.9792734,82.45501497,1081.795272,-149.5950004,-291.6044176,154.1907214,-131.8258923,-67.05914676,-151.0539074,-197.2827535,34.68405272,1.975925913,0.013204083,0.789045369,-0.356766518,-1.085559168,-0.456863365,-0.073737724,-0.211948779,0.220229807,4.769103567,-1.066326256,-1.688620916,0.224167438,0.351688507,0.188133038,-0.673199738,-0.526396319,-0.098860783,26.67799994,-6.490143964,-9.469081274,0.206274468,3.081486188,1.679891934,-3.680811587,-2.314487647,-0.88779851,38.15700483,-0.641724428,10.36100609,-1.963348036,-17.68415249,-6.933049779,-1.039382483,-6.59136736,2.464083176,0.011708276,-0.007468932,0.001325848,4.64E-04,-0.001348443,-4.21E-04,0.001000106,-6.74E-04,1.73E-05,34.74398708,-0.682034591,-0.136946062,2.431417883,-9.367707332,-5.413385994,-3.258592885,-7.624136393,4.580834165,47.03457702,-6.799772747,-7.290110439,3.280653648,-3.661830343,-2.235304892,-5.594589162,-8.220114729,1.926891818,0.085909822,6.00E-04,0.019726134,-0.007590777,-0.030154421,-0.015228779,-0.002731027,-0.008831199,0.012234989,0.207352329,-0.048469375,-0.042215523,0.00476952,0.009769125,0.006271101,-0.024933324,-0.02193318,-0.005492266,1.159913041,-0.295006544,-0.236727032,0.004388818,0.085596839,0.055996398,-0.136326355,-0.096436985,-0.049322139,1.65900021,-0.029169292,0.259025152,-0.041773362,-0.491226458,-0.231101659,-0.038495648,-0.274640307,0.13689351,-0.637918986,0.11324028,0.03962264,-0.11517003,-0.03595546,0.085418718,-0.057564536,0.001475663,-0.019630291,-0.003941576,0.069980969,-0.269620965,-0.155807852,-0.093788686,-0.219437579,0.13184538,-0.144569659,-0.154994706,0.069749828,-0.077854008,-0.047524716,-0.118946305,-0.174767485,0.040967559,0.006986228,0.229614422,-0.088357498,-0.351000858,-0.177264699,-0.031789459,-0.102796152,0.142416652,-0.233753706,-0.203593194,0.023002008,0.047113651,0.030243698,-0.120246171,-0.10577735,-0.026487601,-0.254335052,-0.204090327,0.003783748,0.07379591,0.048276376,-0.117531531,-0.083141565,-0.042522273,-0.017582452,0.156133285,-0.025179842,-0.296097888,-0.139301766,-0.023204125,-0.165545673,0.082515668,1.633731781,0.934332637,1.183477249,1.611323921,1.134770667,0.660471644,0.516549576,0.098909249,1.090358552,1.004347089,0.909950092,1.380671501,1.13392938,0.977924774,1.081062551,0.555502689,1.504503624,1.213276632,0.820009691,0.954624211,0.992453705,1.093230531,1.059880729,0.763053051,0.709899086,0.724184541,1.231487124,2.039419189,1.247856503,0.693761654,0.839851243,0.044009072,1.714180848,1.293107351,0.84473941,0.817551554,0.916108251,1.099188249,0.97249183,0.773776943,1.747015013,1.298987705,0.866540182,0.816149383,0.902949267,1.086746147,0.939246263,0.751381159,0.580933089,0.517307084,1.010522467,1.991285265,1.210786858,1.095295872,1.363336393,0.096094195,43.93645703,22.21822852,34.68281672,44.32534592,4.925038435,22.21822852,0.5,0.152933943,0.01699266,-1.689974276,42.15614826,4.684016473,3.367242486,43.95148256,22.22500686,34.69460295,44.33922902,4.926581002,22.22500686,0.498531158,0.152820848,0.016980094,-1.690640077,42.12597495,4.680663883,3.366598079,57.32061529,28.26131317,45.44710836,56.69995721,6.299995246,28.26131317,-0.797988956,0.083313563,0.009257063,-2.236629526,35.49232089,3.94359121,3.212384724,43.9672523,22.23212095,34.70697395,44.35379977,4.928199974,22.23212095,0.4969896,0.152702269,0.016966919,-1.691338689,42.09449324,4.677165916,3.365925237,71.56679125,34.70110136,57.20990095,69.8832224,7.764802489,34.70110136,-2.164588529,0.045666813,0.00507409,-2.7777451,36.63590656,4.070656284,3.240925932,45.51083679,22.92855258,35.92265771,45.78015663,5.08668407,22.92855258,0.346268372,0.141655464,0.015739496,-1.758921731,39.72430372,4.413811525,3.313766866,42.64159642,21.59095761,33.81972469,43.29415374,4.810461527,21.59095761,1.174603175,0.254304354,0.028256039,-1.232301135,40.86463691,4.540515212,3.339238559,0,11.89,15.99591816,-0.315656473,0.261208917,3.996823602,6.581426299,8,22,21,21,7,1,1,0,0,1,18.178898,3.535147263,3.289277155,2.8132837,2.54828594,1.952943145,1.565248207,1.332129405,0.946552562,1.824355221,1.705991809,1.396893208,1.030468889,0.873704033,0.586497591,0.397360256,0.083923071,3.441644948,3.289442473,2.795329297,2.485219853,1.955539397,1.579083347,1.377113254,0.603709345,1.79049678,1.665712745,1.339915221,1.033478195,0.760536417,0.477431112,0.404429822,0.270913902,3.627644951,3.452648731,3.043919124,2.768847145,2.308799958,2.006770595,1.838695735,1.226312279,1.574647463,1.442536677,1.028829642,0.689229219,0.334642185,0.011777949,0.109304843,0.943918427,3.437667278,3.298431272,2.810859055,2.476978815,1.997986658,1.613891239,1.446755124,0.459589085,1.782365138,1.637720892,1.303163227,1.025884391,0.688388221,0.426087634,0.322406508,0.399277246,3.655334989,3.509728105,3.123039863,2.830538414,2.441223345,2.145376191,2.019355319,1.208936353,1.530434844,1.390188882,0.948521786,0.63072474,0.199268382,0.143712454,0.286534685,1.207644823,4.915214366,3.482515882,3.19721508,3.060254005,2.429387049,2.013325362,1.740368018,1.456411797,1.671586219,1.463945785,1.118601087,0.631190811,0.522564377,0.18771101,0.20090773,0.6,0,0,1,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.49279928,0.348461713,0.24639964,0.100592232,0.071129449,0.050296116,7.112884175,4.308060412,3.009201922,1.997400241,0.946923425,0.535074775,0.348461713,0.102062073,0.790320464,0.538507552,0.37615024,0.285342892,0.189384685,0.133768694,0.116153904,0.102062073,6.144923706,3.464690378,1.927576962,1.049615803,0.432403874,0.224831386,0.131524855,0.051031036,0.682769301,0.433086297,0.24094712,0.149945115,0.086480775,0.056207847,0.043841618,0.051031036,12.22239284,22.87618354,21.77647059,22.12,13.55036048,177.5068275,0.531408384,0.994616676,0.946803069,0.96173913,0.589146108,7.717688154,1.7397,36.158,25.41191019,39.68761279,50.82382038,5.647091153,25.41191019,0.089797579,0.009977509,-2.16917754,37.38194553,4.153549503,3.259069063,85,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,1,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.25704082,-0.094027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.393218537,0.5125,0,0,0,0,0,0,0,0,0,0,3.869108088,0,3.13454554,0,0,0,0,0,0,-0.094027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46440193,4.792638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.792638889,-0.094027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272454649,0.5125,0,0,0,0,0,0,0,0,0,0,1.799880008,0,0.489795918,0,0,0,0,0,0,-0.094027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46440193,4.792638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46440193,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,2.06922808,0,1.080351474,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46440193,4.792638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.16666667,2.462962963,0.566850907,10.46440193,0.203055556,-0.094027778,3.195563561,1.760694444,3.464401927,9.652537793,1.760694444,3.464401927,9.652537793,4.16666,0.46296,0,0.03704,0.52319,0.87037,0.42414,0.52319,0.87037,0.09905,0,-0.09905,0,0.53191,0.18238,0,0.32,0.12,0,6.25,0.69444,4.75,0.52778,1.5,0.16667,-3.25,-0.36111,0,0,6.97294,0.77477,9.9223,2.94935,0.32771,3.25049,0.36117,4.30805,1.05757,0.11751,0.10595,0.01177,0.10595,0.01177,0,8.02,2,2,2,2,0,0,0.857142857,1.264672679,2.032128525,3.327484782,3.762267391,3.675310869,3.344456935,29.08747163,46.73895608,76.53214998,86.53214998,84.53214998,76.92250951,0.279574524,0.449231943,0.735589523,0.831704623,0.812481603,0.739341468,3.258889277,2.491433431,1.196077174,0.761294565,0.848251087,1.179105021,0.279574524,0.449231943,0.735589523,0.831704623,0.812481603,0.739341468,11.60803893,21.16489296,24.38206803,24.82025282,23.77677456,22.12671406,32.94327953,20.14385474,17.4226809,16.15819021,17.47483124,20.14773191,9,6.125,5.87755102,9,3,4,2.01,1.1693,0.142857143,2.809664852,0.632455532,0,2.701599969,1.807204007,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,3.857,8,7,5,4,3,1,0,0,0,45,2.302585093,2.397895273,2.302585093,1.945910149,1.791759469,1.609437912,0.693147181,0,0,0,3.988984047,1.177777778,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.625,7,0.875,0,4,7,0.75,1.5,0.666666667,0.25,0.16,0.111111111,0.040816327,0,0,0,0,0.1875,0.083333333,0.035714286,0.032,0.027777778,0.013605442,0,0,0,0,0.379930839,25.41191019,39.68761279,50.82382038,5.647091153,25.41191019,0.089797579,0.009977509,-2.16917754,37.38194553,4.153549503,3.259069063,26.3,144.5723458,4.169925001,3.496507561,4.143134726,4.828313737,5.501258211,6.196444128,6.876264612,7.5750717,8.257126286,8.957381736,72.8315027,2.833213344,0,3.891820298,0,5.117993812,0,6.411818268,0,7.739359203,8.053251154,130.0993797,5.656494769,16.65751855,1.850835395,5.334350963,5.334350963,0,110,7,1.844,32,1.233227273,2.115777033,2.848486235,3.654041893,4.858460265,5.758317893,6.974117584,7.975872902,9.163734318,0,92.90307534,98.57056241,102.1536852,134.6859007,153.6740128,162.4336763,104.2560937,40.63786974,9.310940546,0,281.9160909,315.0399266,340.4852515,485.4264465,620.9042433,701.3167023,655.141521,493.3032763,284.8431756,0,9.447098999,16.08702034,21.52807909,28.8046706,36.63406807,41.98692065,50.67538937,54.75651503,61.56621912,0,1.992608666,2.410656194,2.640642152,3.67185137,4.977026001,5.906688431,6.062059889,5.508386993,4.074314534,0,179.7781318,337.2309403,478.4100269,606.2488595,801.9254088,938.1636922,1171.425843,1381.613471,1694.536234,0,3.442492424,5.858748576,7.177422407,10.66355949,11.69175592,13.71576072,15.18772604,10.90922445,9.163734318,0,0.450467386,0.571577699,0.650904235,0.914177219,1.163513295,1.34115267,1.38559707,1.220358558,0.938366394,0,393.8545006,309.5167648,13.4366449,181.0600066,-142.288859,-19.36449792,212.7944939,451.8056238,32.80114283,0.685066207,0.538370072,0.023371553,0.314933793,-0.247495684,-0.033682396,226.4326661,177.9456783,7.724922083,104.0940245,-81.80392925,-11.13293078,0.332343526,0.401616767,2.759263511,3.705779014,526.5992584,48.31524882,0.915960985,0.084039015,648.0661598,25.45714359,8.653791915,783.6846649,27.99436845,9.219636166,1090.690125,33.02559803,10.29359619,2.567145317,2.567145317,990.0859945,933.4897261,76.6548978,1.0606287,12.91614786,12.17782233,4.47063637,5.369913151,9.759922372,0.817519594,3.917833806,5.241545688,3.552906938,16.18659301,5.056469539,2.930579716,6.206646515,10.84981107,2.99867116,2.706773595,4.568769525,4.146948742,3.34755802,0.027846745,3.501390918,0.728319259,3.985902377,0.939850123,0.006278859,3.27E-24,3.28E-67,6.34E-132,2.37E-218,0,0,0,0,0,0,0,0.345304163,5.392468715,0.31945263,5.985136433,0.10134819,1.830312545,1.747906489,0.585039145,0.27291945,0.249592345,2.925044455,0.168219852,0.342922524,0.002001902,0.032994762,0.671212625,0.257145036,0.006619442,4.42E-05,2.30E-26,2.31E-69,4.47E-134,1.67E-220,0,0,0,0,0,0,0,1.067266495,5.111389101,0.747136041,5.8544682,0.425143183,1.756809404,1.74677033,1.651309929,0.424502924,0.503553681,3.252226763,0.60042051,0.671772349,0.00663278,0.278394393,0.680768455,0.881072953,0.068979684,4.61E-04,2.40E-25,2.41E-68,4.66E-133,1.74E-219,0,0,0,0,0,0,0,3.703230625,5.392104873,3.841367549,16.666237,4.567745118,3.345314317,6.793795716,10.31957481,2.790923971,3.135953997,4.465569616,3.883233087,3.104973689,0.026036503,3.125414844,0.72408002,3.709096911,0.83738954,0.00559435,2.91E-24,2.92E-67,5.65E-132,2.11E-218,0,0,0,0,0,0,0,1.565372702,5.004591042,0.968613946,6.25480812,0.842357481,1.691357656,1.866693343,2.571619153,0.646840633,0.582245638,3.479322006,0.981671562,0.971333439,0.01000313,0.584201333,0.687952019,1.350114742,0.149833089,0.00100099,5.21E-25,5.23E-68,1.01E-132,3.77E-219,0,0,0,0,0,0,0,4.731374743,5.337037471,4.821078413,21.18406943,7.343707585,3.609444264,8.31626418,15.05661705,4.213051585,3.8593027,4.955127555,5.724832357,4.526280928,0.034808182,5.079265822,0.744859113,5.065894701,1.370683074,0.009157125,4.76E-24,4.78E-67,9.25E-132,3.45E-218,0,0,0,0,0,0,0,2.465227058,5.354506024,3.116090765,18.02163852,2.255814492,5.03330086,7.781537654,7.253159363,1.763424666,2.778256885,3.930135017,2.459511293,1.824754631,0.018239422,1.280207453,0.999279803,2.507582661,0.338346048,0.002260389,1.18E-24,1.18E-67,2.28E-132,8.52E-219,0,0,0,0,0,0,0,9.787846153,0.784014723,0.432671491,0.889437718,0.071244711,0.593800288,0.530191287,0.521721165,11.00453237,12.24795831,26.57273187,0.834156576,1.64571274,7.208345582,0.524206247,0.077051133,0.923010506,0.06712329,0.322241338,0.233148637,0.016545502,7.809602961,4.374461662,12.47521464,0.884515759,0.571935477,8.657404756,0.567087908,0.220577479,0.91660566,0.060040624,0.464437129,0.278061636,0.135595174,9.445070143,6.944224893,17.47222228,0.874908491,0.87809394,9.502930753,0.788430304,0.410617078,0.88796021,0.073671455,0.559623258,0.537217988,0.469889685,10.70197814,11.7182072,25.49669215,0.831940315,1.566730931,9.272798195,0.604664796,0.293230964,0.911717355,0.059451675,0.532985594,0.315145227,0.239630201,10.17069396,8.503312625,20.31813343,0.867576033,1.087761022,9.862004025,0.816909081,0.456503139,0.885643052,0.073361342,0.602816744,0.575772173,0.58077703,11.13541625,12.931318,27.74448817,0.828464577,1.759365947,9.596364555,0.798492898,0.413962653,0.887827206,0.073874196,0.57065463,0.551223126,0.477577895,10.80882011,11.96571172,25.94657403,0.831740809,1.599455652 +UMLYSI0229,L,3-methylhexane,CCCC(C)CC,linear alkanes,C7H16,589-34-4,11507,PubChem,,43,0,-0.0844,0.00712336,30.6077,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1168.347606,1059.474365,750.796203,366.427321,93.979872,9.144576,0,3461.958223,4376.887272,5667.785137,5815.662656,4863.490598,3129.647608,1341.178331,279.7536999,0,160.279036,159.125208,296.687832,377.285684,374.843244,309.53962,183.793536,60.466176,0,26.63610648,34.55010896,48.7938183,53.12274887,47.09631187,33.0547703,16.01813686,4.001516144,0,3846.242925,3210.7269,6654.719106,8868.264018,9048.100818,7754.449376,4802.005979,1664.258868,0,36.52777778,43.25,65.25,79.58333333,78,61,33,9,0,44.61329874,48.14991518,27.81780014,19.61989565,13.90363339,8.142829356,3.480736,1.016064,0,150.5199227,198.9494215,134.9472652,107.6974566,90.0646407,69.54772462,49.67327153,31.08374443,0,6.968653739,7.232964,7.063996,6.986771926,6.941541556,6.878658222,6.807168,6.718464,0,1.158091586,1.570459498,1.161757579,0.983754609,0.872153924,0.734550451,0.593264328,0.444612905,0,167.2279533,145.9421318,158.445693,164.2271114,167.5574226,172.3210972,177.8520733,184.917652,0,1.588164251,1.965909091,1.553571429,1.473765432,1.444444444,1.355555556,1.222222222,1,0,0.032503873,-0.005861214,-0.00794553,-0.003306304,-0.004926974,-0.001999363,0.003059188,0.004728259,0,589.5388264,-58.58770946,-129.0760474,-115.5734112,-136.6283693,-37.53275137,81.70239171,100.9264839,0,1096.272622,-108.9463475,-240.0224219,-214.9136934,-254.066287,-69.79375388,151.9290862,187.6771065,0,0.115486609,-0.01147693,-0.025285112,-0.022640038,-0.02676456,-0.007352408,0.016004938,0.019770805,0,4.900848691,-0.487040864,-1.073011903,-0.960764204,-1.135794514,-0.312010553,0.679193705,0.839003988,0,26.62148787,-2.645613702,-5.828617687,-5.218886404,-6.169653828,-1.694846278,3.689390983,4.557482978,0,2.845410628,-1.174595673,-0.308286074,0.134688091,-0.238500315,-0.164933837,-0.06852552,0.397448015,0,0.001413212,-2.66E-04,-1.89E-04,-6.12E-05,-9.12E-05,-4.44E-05,1.13E-04,5.25E-04,0,25.63212289,-2.663077703,-3.073239224,-2.140248356,-2.530154988,-0.834061142,3.026014508,11.21405376,0,47.66402704,-4.952106706,-5.714819569,-3.97988321,-4.704931241,-1.550972309,5.627003192,20.85301183,0,0.005021157,-5.22E-04,-6.02E-04,-4.19E-04,-4.96E-04,-1.63E-04,5.93E-04,0.002196756,0,0.213080378,-0.022138221,-0.025547902,-0.01779193,-0.021033232,-0.006933568,0.025155322,0.093222665,0,1.157455995,-0.120255168,-0.138776612,-0.096646045,-0.114252849,-0.037663251,0.13664411,0.506386998,0,0.123713506,-0.053390712,-0.007340145,0.002494224,-0.004416673,-0.003665196,-0.002537982,0.044160891,0,-0.188520067,-0.133864767,-0.043325311,-0.064562334,-0.031439227,0.080174282,0.371750454,0,-0.103896104,-0.119897959,-0.083498677,-0.098710317,-0.032539683,0.118055556,0.4375,0,-0.103896104,-0.119897959,-0.083498677,-0.098710317,-0.032539683,0.118055556,0.4375,0,-0.103896104,-0.119897959,-0.083498677,-0.098710317,-0.032539683,0.118055556,0.4375,0,-0.103896104,-0.119897959,-0.083498677,-0.098710317,-0.032539683,0.118055556,0.4375,0,-0.103896104,-0.119897959,-0.083498677,-0.098710317,-0.032539683,0.118055556,0.4375,0,-0.431567372,-0.059331797,0.02016129,-0.035700811,-0.029626486,-0.020514997,0.356960951,0,1.727154756,1.209809405,1.021645895,1.009194551,0.861467339,0.583673553,1.51E-08,0,1.642857143,1.290816327,1.087632275,1.003968254,0.803174603,0.501984127,0,0,1.642857143,1.290816327,1.087632275,1.003968254,0.803174603,0.501984127,0,0,1.642857143,1.290816327,1.087632275,1.003968254,0.803174603,0.501984127,0,0,1.642857143,1.290816327,1.087632275,1.003968254,0.803174603,0.501984127,0,0,1.642857143,1.290816327,1.087632275,1.003968254,0.803174603,0.501984127,0,0,2.040322581,0.920446277,0.859083192,1.026127146,0.987945671,0.859083192,0,0,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,29.72715738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,-7.11E-15,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,36.77045554,18.29296587,28.35009323,36.63865282,5.23409326,18.29296589,-0.18452381,0.044253682,0.006321955,-2.182471697,23.05157387,3.293081982,2.196413834,0,11.89,12.11009426,-0.169148055,0.051271425,5.205584379,7.956379543,6,22,22,22,6,0,0,0,0,0,17.491312,3.513114128,3.071856517,2.688670694,2.233248777,1.776372742,1.396431061,0.930872281,0.083923071,1.921555107,1.656855366,1.432571689,1.139580706,0.859974435,0.651168221,0.361399181,0.083923071,3.540559641,3.113111403,2.743477416,2.303286336,1.863932868,1.502723355,1.058534859,0.270913902,1.861678808,1.575544616,1.333760036,1.024619841,0.728078729,0.504550424,0.20099611,0.270913902,3.661469382,3.29212709,2.977651733,2.596903846,2.223976014,1.930021187,1.557723544,0.943918427,1.685639611,1.327263863,1.022809842,0.652389658,0.290687386,0.007523115,0.353869665,0.943918427,3.560792974,3.143400625,2.78353999,2.354189513,1.927186899,1.578932786,1.149164306,0.399277246,1.82355259,1.522942124,1.269062686,0.948526365,0.640005638,0.40587786,0.092299111,0.399277246,3.720446316,3.377434827,3.086797123,2.730372543,2.383750373,2.114833279,1.767609835,1.207644823,1.630804989,1.247214842,0.91952574,0.52493374,0.136817796,0.171995084,0.559571488,1.207644823,3.542208774,3.213963171,2.9227269,2.468351898,2.026762165,1.67067351,1.247616643,0.591549296,1.827687999,1.439546903,1.12040559,0.810651265,0.510022989,0.280579946,0.037436701,0.591549296,0,0,0,0,0,3,3,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.49279928,0.40824829,0.204124145,0.49279928,0.40824829,0.204124145,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,6.801574074,0,4.082685185,0,0,0,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.242222222,0,1.341111111,0,0,0,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.309027778,0,1.399305556,0,0,0,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.69047619,0.2,2.309027778,0.2,0.949074074,5.309490741,0.384259259,0.309027778,1.603148148,0.384259259,0.309027778,1.603148148,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.42857,0.14286,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.07892,1.01127,7.07892,0,0,3.30805,0.47258,3.30805,0,0,0.10595,0.01514,0.10595,0.01514,0,6,0,0,0,0,0,0,1,0.886540893,1.327484782,2.521861955,3.207707064,3.017944979,2.379571242,20.39044053,30.53214998,58.00282497,73.77726248,69.41273451,54.73013857,0.195982923,0.293460064,0.557494731,0.709110894,0.66716119,0.526039273,3.637021063,3.196077174,2.001700001,1.315854892,1.505616978,2.143990714,0.19880132,0.297680264,0.565511969,0.719308499,0.676755523,0.533604155,6.634953582,11.92628025,16.71908002,16.45445059,14.94658598,10.9352509,27.76507516,20.80617277,17.57522093,17.11297261,19.39173394,16.41148336,7,4.166666667,3.84,7,0,6,2.23,1.0949,0.766309432,4.112265279,1.650963624,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.039,6,5,3,1,0,0,0,0,0,28,1.945910149,1.945910149,1.791759469,1.386294361,0.693147181,0,0,0,0,0,3.36729583,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,6,1,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,0,129.6283511,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,100.1252005,4.353269587,12.66537523,1.809339318,0,0,0,50,5,4.262,24,1.224818182,2.11142556,2.867533957,3.525187397,4.36918953,5.563380252,7.058444873,0,0,0,69.72220731,66.73106956,64.29670785,59.79718573,44.26043391,22.09307243,7.171831732,0,0,0,268.787596,308.3215324,331.3002501,351.9450334,340.1511157,296.9300748,219.4028965,0,0,0,8.893455721,14.97034384,20.08381424,24.56302577,30.1827031,37.96906017,47.42190778,0,0,0,2.059771149,2.597411395,2.956662873,3.295888154,3.465837725,3.465113537,3.138275679,0,0,0,176.6115071,330.5407757,467.4308715,583.7815225,742.9770141,981.6370519,1305.231053,0,0,0,2.466049242,3.384750067,4.327180033,5.271150248,6.218951454,7.045689013,7.058444873,0,0,0,0.427911136,0.549535126,0.632467242,0.710702546,0.757650181,0.773655823,0.722784755,0,0,0,381.0301594,150.5104252,9.240304407,140.8270612,-55.6279873,-8.554166061,240.2030982,206.1384125,17.79447047,0.730142545,0.288413036,0.017706576,0.269857455,-0.106596182,-0.016391775,198.8433399,78.54495217,4.822119576,73.49161876,-29.02986684,-4.464053325,0.075001756,0.164955492,1.169730682,10.73838948,521.8572206,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,598.4971078,24.46420053,8.427278607,1.89259598,1.526290971,483.5382822,439.5710476,80.20393844,1.100023045,6.028859576,5.480666612,4.019056751,4.466158665,7.63628977,0.709811572,4.462408855,5.691185733,2.523473062,22.07828065,7.839961149,5.513492167,6.198358568,8.891993467,6.032234781,2.422975435,2.910398195,0.073937921,1.544812114,1.267677695,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851887,0.161895582,6.467581135,1.046305104,0.171644691,0.531568745,0.420956045,2.069101809,0.054172639,0.022953403,0.008212694,0.127880219,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690874825,0.55548736,8.252787789,1.509035101,0.745805086,1.410923038,1.533025675,2.611946213,0.273168838,0.219255056,0.012653829,0.413976048,0.093040371,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691149302,2.34760599,20.62688193,7.097177789,5.003844943,5.753321569,8.155110881,5.695471762,2.184378152,2.594569597,0.066739288,1.456961205,1.129478003,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690903994,0.851940353,9.894342239,2.101039475,1.293225955,2.096925619,2.479641444,3.063607087,0.502046392,0.470725769,0.018367329,0.611301281,0.202096118,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691338777,3.210160512,28.01501293,10.96130198,7.60784131,7.957538365,11.86819189,7.386008805,3.412647832,4.237662994,0.104196171,1.871341804,1.848788779,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,2.765215168,4.950965967,1.235374837,12.66535211,3.623676924,2.531053764,3.217684934,3.928312033,4.191038531,0.93240862,1.028201207,0.03411055,1.073119595,0.443599177,1.26E-06,2.80E-33,1.20E-81,9.92E-152,1.58E-243,0,0,0,0,0,0,0,0,0,0,0,5.077399275,1.103250795,0.584503124,0.750522439,0.163078465,0.508613498,0.435401278,0.435706437,6.765153195,9.214254066,19.25358614,0.625783658,1.379721213,4.20910626,0.620836848,0.181093231,0.839967219,0.123893903,0.349627151,0.137456934,0.042081886,5.011036339,3.487838266,8.972101688,0.759950829,0.529165971,4.5685986,0.820779259,0.348212092,0.796257425,0.143052966,0.41182159,0.240615132,0.155194704,5.737589952,5.626457514,12.66977699,0.694386137,0.807631426,5.057321662,1.092114576,0.575183676,0.752060596,0.162405398,0.504599092,0.42663456,0.421983095,6.724619914,9.060230041,18.96168988,0.628090894,1.353216747,4.722444579,0.906249705,0.419686898,0.780778267,0.149833431,0.440004182,0.293493126,0.225198282,6.048381182,6.642003249,14.48652432,0.671167401,0.95869559,5.139824419,1.137870382,0.613476745,0.745856403,0.16512002,0.521197446,0.46322455,0.47976118,6.891171545,9.699673745,20.1787358,0.618784604,1.464183176,5.075117168,1.094685998,0.575927151,0.752345103,0.162278352,0.508156055,0.428619509,0.422618901,6.745730316,9.109016857,19.05440243,0.628517654,1.359394466 +UMLYSI0230,L,3-nonanone,CCCCCCC(=O)CC,saturated alkanone,C9H18O,925-78-0,61235,PubChem,,43,0,-1.2436,1.54654096,37.8882,28.644274,0,0,28,10,18,0,9,0,1,0,0,0,0,0,0,0,1572.634242,1564.204541,1769.582233,1657.654752,1307.043074,1068.001753,871.245024,674.488295,323.876617,4587.550292,5756.123811,7385.180741,7328.111807,6267.903334,5201.566564,4194.768219,3187.969874,2127.761402,202.148712,198.475388,367.001908,476.37096,413.72168,362.73406,299.84916,236.96426,174.31498,33.74633629,43.69433758,60.94266416,62.95246534,54.46422728,46.50607189,37.48454303,28.46301417,19.97477611,4655.118227,3923.904036,8006.935405,10967.0704,9456.365982,8531.363909,7052.408754,5573.453599,4062.749184,91.27777778,61.66666667,98.5,136.5833333,118.8333333,91.58333333,79.41666667,69.5,52,56.16550864,57.93350152,34.69769084,25.11598109,22.93058025,20.94121084,20.74392914,20.43903924,13.49485904,163.8410819,213.1897708,144.8074655,111.0319971,109.9632164,101.9915013,99.87543379,96.6051477,88.65672507,7.219596857,7.350940296,7.196115843,7.217741818,7.258275088,7.112432549,7.139265714,7.180735152,7.263124167,1.205226296,1.618308799,1.194954199,0.953825232,0.955512759,0.911883763,0.89248912,0.862515581,0.832282338,166.2542224,145.3297791,156.9987334,166.1677333,165.9011576,167.2816453,167.9144941,168.8925333,169.281216,3.259920635,2.283950617,1.931372549,2.069444444,2.084795322,1.795751634,1.890873016,2.106060606,2.166666667,0.139379198,-0.046029983,-0.012095566,0.004635987,-0.021053603,8.09E-04,0.002540447,0.01761677,-0.020774005,850.0347219,-48.03777086,-160.0948736,-7.782076378,-219.0049402,12.4017364,10.9298475,9.457958597,-201.7649052,1367.240348,-97.12506318,-445.7549762,2.207103318,-212.3095275,8.140890815,7.944749542,7.74860827,-206.7680225,1.127262857,-0.004431755,0.077897224,-0.12177502,-0.310512816,-0.020759918,-0.032485714,-0.04421151,-0.232949306,6.076807391,-0.456866205,-2.412795837,-0.019436158,-0.483870091,-0.030217889,-0.030673385,-0.031128881,-0.495562814,33.4170586,-2.519512673,-13.79851578,-0.216493935,-1.933562979,-0.293748978,-0.30107734,-0.308405703,-2.025474747,35.08333333,-0.3125,1.104166667,-2.25,-9.020833333,-1.5625,-2.041666667,0.4375,-6.083333333,0.004977829,-0.001704814,-2.37E-04,7.02E-05,-3.69E-04,1.59E-05,6.05E-05,5.34E-04,-8.66E-04,30.35838292,-1.779176699,-3.139115169,-0.117910248,-3.842191933,0.243171302,0.260234464,0.286604806,-8.406871051,48.83001241,-3.597224562,-8.740293651,0.033440959,-3.724728552,0.15962531,0.189160703,0.234806311,-8.615334272,0.040259388,-1.64E-04,0.001527397,-0.001845076,-0.005447593,-4.07E-04,-7.73E-04,-0.001339743,-0.009706221,0.217028835,-0.016920971,-0.047309722,-2.94E-04,-0.008488949,-5.93E-04,-7.30E-04,-9.43E-04,-0.020648451,1.193466379,-0.093315284,-0.270559133,-0.003280211,-0.033922158,-0.005759784,-0.007168508,-0.009345627,-0.084394781,1.25297619,-0.011574074,0.021650327,-0.034090909,-0.158260234,-0.030637255,-0.048611111,0.013257576,-0.253472222,-0.3424815,-0.047644865,0.014111017,-0.074201322,0.003187881,0.01215125,0.107243856,-0.173887778,-0.05860578,-0.103401923,-0.003883944,-0.126561153,0.008010022,0.008572079,0.009440714,-0.276920911,-0.073668311,-0.178994295,6.85E-04,-0.076279492,0.003269,0.003873861,0.004808647,-0.176435226,-0.004077039,0.037938892,-0.04582971,-0.135312372,-0.010110865,-0.01921215,-0.033277772,-0.241092119,-0.077966462,-0.217988187,-0.001356904,-0.039114383,-0.002730087,-0.003365077,-0.004346424,-0.095141508,-0.078188448,-0.226700255,-0.002748474,-0.02842322,-0.004826096,-0.00600646,-0.007830658,-0.070714,-0.009237266,0.017279121,-0.027207946,-0.126307455,-0.024451586,-0.038796516,0.010580868,-0.20229612,1.157093511,0.832476508,1.136523962,1.28780257,0.825182972,0.937290056,1.050511672,1.477910708,1.291178025,1.140925609,0.981403857,1.127082408,0.898930766,0.908441212,0.923139174,1.247276476,1.494522204,1.320919219,0.935926291,1.014195958,0.910701431,0.894148263,0.868566095,1.029196479,0.555040021,0.554275233,1.229693831,1.477631639,0.834667479,0.986475204,1.221087143,1.806711928,1.552547244,1.380834349,0.933964663,0.974330456,0.911209146,0.893531751,0.866212142,0.936673702,1.555544051,1.387216962,0.938098138,0.969329468,0.910139305,0.894830843,0.871172311,0.920249534,0.541567696,0.544501886,1.217069747,1.486310789,0.838759257,1.007804547,1.196177931,1.819774347,61.16031217,30.70515609,48.83111638,61.36031217,6.136031217,30.70515609,0.25,0.124305814,0.012430581,-2.085010511,68.57472578,6.857472578,4.227924038,61.16215306,30.70570932,48.83176911,61.36156553,6.136156553,30.70570932,0.249265579,0.124290498,0.01242905,-2.085133728,68.56682262,6.856682262,4.227808782,62.80775374,31.20437963,49.42509323,62.48855815,6.248855815,31.20437963,-0.398994478,0.11018799,0.011018799,-2.205567372,62.72756397,6.272756397,4.138800968,61.16408515,30.70628997,48.83245419,61.36288099,6.136288099,30.70628997,0.2484948,0.124274423,0.012427442,-2.085263074,68.55853202,6.855853202,4.227687862,64.5829032,31.75030447,50.08769207,63.71706779,6.371706779,31.75030447,-1.082294264,0.093868775,0.009386878,-2.36585748,58.30259496,5.830259496,4.065646603,61.3532832,30.76320869,48.8996714,61.49179055,6.149179055,30.76320869,0.173134186,0.122695216,0.012269522,-2.09805192,67.76629685,6.776629685,4.216064975,66.97476195,33.50206714,54.07369343,67.35952385,6.735952385,33.50206714,0.641269841,0.162007758,0.016200776,-1.820111054,122.259684,12.2259684,4.80614734,0,11.89,15.99491689,-0.299212084,0.132452946,4.40997126,7.410488242,9,27,26,26,8,1,1,0,0,1,20.635726,3.577804899,3.35121249,2.975324298,2.655298327,2.297555256,1.801837345,1.562167129,1.382433212,1.906671811,1.75881647,1.576832523,1.290208719,0.999206326,0.829125395,0.658795803,0.531043498,3.556598973,3.354279994,3.015837542,2.656360494,2.277145312,1.858118097,1.572579159,1.425719893,1.860399377,1.712215481,1.49301346,1.2111412,0.922491475,0.701899349,0.519873165,0.383373553,3.689059745,3.505892963,3.200765157,2.895895219,2.572040638,2.213257971,1.99574324,1.880744269,1.682806871,1.505534365,1.2362556,0.904410783,0.557517344,0.265475516,0.032341335,0.140915306,3.565204987,3.36737721,3.0465535,2.681816073,2.29668693,1.912536132,1.626829333,1.454548047,1.834893521,1.682118516,1.438829973,1.163043769,0.87704548,0.618242192,0.432363321,0.312817683,3.731790519,3.561837339,3.288493316,2.983844454,2.66611017,2.363748264,2.149473448,2.01974101,1.637248716,1.451803973,1.1537949,0.81524471,0.46020611,0.118239716,0.132536606,0.287498027,4.980108868,3.489276644,3.224767736,3.128773924,2.657459464,2.168734877,1.975862706,1.699213452,1.777219992,1.543291835,1.332872459,0.99415193,0.637931875,0.456258199,0.267499891,0.10929725,0,0,0,1,0,2,6,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.102062073,0,0,0,0.49279928,0.348461713,0.24639964,0.174230856,0.12319982,0.087115428,7.819990956,4.808060412,3.362755312,2.247400241,1.12370012,0.669575975,0.378355001,0.24639964,0.781999096,0.534228935,0.373639479,0.28092503,0.187283353,0.133915195,0.09458875,0.082133213,7.150888978,4.325444489,2.702888697,1.703506421,0.925722174,0.529584427,0.275361087,0.161084392,0.715088898,0.480604943,0.300320966,0.212938303,0.154287029,0.105916885,0.068840272,0.053694797,14.59124934,27.32119446,25.87843137,26.24,16.66722994,215.4088168,0.521116048,0.975756945,0.924229692,0.937142857,0.595258212,7.693172027,2.9359,44.057,31.7954299,50.01681622,63.5908598,6.35908598,31.7954299,0.090488062,0.009048806,-2.402537352,59.51188318,5.951188318,4.08617601,109,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,2,0,0,0,0,0,0,0,0,0,0,2,0,6,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.77495323,0.41305839,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.382018495,0.802777778,0,0,0,0,0,0,0,0,0,0,4.114877173,0,6.363777872,0,0,0,0,0,0,0.41305839,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.77495323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.77495323,0.41305839,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.224633291,0.401388889,0,0,0,0,0,0,0,0,0,0,1.932692508,0,0.714409722,0,0,0,0,0,0,0.41305839,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.77495323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.77495323,0.41305839,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.182184666,0,1.274795918,0,0,0,0,0,0,0.41305839,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.77495323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.66666667,2.166666667,0.436208546,10.77495323,0.224633291,0.41305839,4.78672664,1.253608277,3.774953231,7.914275794,1.253608277,3.774953231,7.914275794,4.83333,0.48333,0,0.01667,0.47024,0.77667,0.425,0.47024,0.77667,0.04524,0,-0.04524,0,0.62232,0.09197,0,0.27586,0.10345,0,6.25,0.625,4.75,0.475,1.5,0.15,-3.25,-0.325,0,0,9.2909,0.92909,11.41149,2.12058,0.21206,4.11989,0.41199,4.80805,0.68816,0.06882,0.10595,0.01059,0.10595,0.01059,0,9.01,1,1,1,1,0,0,0.888888889,1.107784385,1.698117421,2.940759833,3.753434386,3.624518655,3.352745781,31.01796278,47.54728779,82.34127531,105.0961628,101.4865223,93.87688186,0.230435323,0.353233212,0.611720973,0.780769144,0.75395279,0.697420065,3.699570537,3.109237501,1.86659509,1.053920536,1.182836267,1.454609141,0.230435323,0.353233212,0.611720973,0.780769144,0.75395279,0.697420065,9.474970853,16.55896729,20.65560285,21.77098859,20.55955675,19.20414991,37.17060982,25.93176328,22.36169029,18.90253373,20.94662026,23.50709391,10,7.111111111,7,10,1,9,2.34,1.3924,0.125,3.564849999,0.577350269,0,6.631975708,2.701599969,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,4.885,9,8,6,5,4,3,1,0,0,55,2.397895273,2.48490665,2.397895273,2.079441542,1.945910149,1.791759469,1.609437912,0.693147181,0,0,4.17438727,1.163636364,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0.666666667,8,0.888888889,0,4,8,1,1.5,0.666666667,0.25,0.16,0.111111111,0.081632653,0.03125,0,0,0,0.166666667,0.074074074,0.03125,0.026666667,0.022222222,0.020408163,0.010416667,0,0,0,0.35170446,31.7954299,50.01681622,63.5908598,6.35908598,31.7954299,0.090488062,0.009048806,-2.402537352,59.51188318,5.951188318,4.08617601,17.07,170.3740883,4.321928095,3.610917913,4.262679877,4.94875989,5.624017506,6.318968114,7.002155954,7.700295203,8.38685669,9.086249987,75.94090113,2.944438979,0,4.007333185,0,5.231108617,0,6.520621128,0,7.843456404,8.159088655,142.1357652,5.076277328,18.65620911,1.865620911,2.446808992,2.446808992,0,153,8,2.967,36,1.236962963,2.135677555,2.879315241,3.632368403,4.945424523,5.941305561,7.270185903,8.357994605,9.58508702,10.46610984,82.53193165,83.01473918,83.19525932,103.2834878,119.4481709,142.7335777,163.4306141,123.6296913,47.30567443,10.63423743,289.3556322,332.1238262,349.5112548,463.4058366,552.1204352,655.6533729,748.8915159,784.9006928,581.2825854,325.3258834,9.125114217,15.44601793,20.85132198,26.38159971,35.26256901,42.50830836,52.26307177,60.65614068,65.7490914,70.31618217,2.141797697,2.684363936,2.920817221,3.900922083,4.81132057,5.714937951,6.575710162,7.282477859,6.527403321,4.653367498,177.5632613,331.689989,474.7699737,588.1621015,818.4475303,983.6581622,1218.059388,1402.301671,1664.758,1935.368457,2.884197531,4.298069158,6.068301169,7.543771835,9.036787424,11.41088181,15.44455814,18.02177393,12.97220552,10.46610984,0.452805556,0.586037175,0.65583633,0.867251027,1.067091381,1.278332244,1.498320732,1.661543245,1.447580416,1.071729647,436.5627837,275.8334112,11.95313914,171.0829629,-108.0953279,-17.3932945,265.4798209,383.928739,29.34643363,0.718449501,0.453937862,0.01967123,0.281550499,-0.177892018,-0.02862407,265.2755187,167.6089991,7.263274155,103.9578347,-65.6836662,-10.56896142,0.209500157,0.473515953,1.106867566,13.98414901,578.1131639,29.53258265,0.951398355,0.048601645,630.5403057,25.11056164,8.575068888,804.9069552,28.37088217,9.30211905,1058.883248,32.54048629,10.19254629,3.100827218,3.100827218,1506.822535,1447.56436,85.97527116,1.04093647,17.52623184,16.8369851,5.030530691,5.645455692,11.21765986,0.987024693,5.033424998,7.675290027,3.729846045,23.11054214,11.40474156,0.598699728,4.237386628,10.50894329,15.81979745,5.566683521,1.8539059,11.62452505,9.499063847,3.764815436,5.819977209,0.849968639,4.277061272,6.526490528,0.874293455,3.977652511,1.284338665,6.90E-04,5.25E-27,7.69E-72,2.17E-138,1.18E-226,0,0,0,0,0.438914246,7.674981619,0.299015939,7.352827283,0.284911524,0.059528717,0.827483465,0.449499329,5.577941283,0.148595384,0.07492741,1.711000508,0.364466701,2.560202827,0.336031869,0.077547116,0.220836315,0.259641036,0.103844296,0.333788316,0.009045702,4.86E-06,3.69E-29,5.41E-74,1.53E-140,8.35E-229,0,0,0,0,1.369490765,7.674885019,0.82637541,8.090835303,1.11481032,0.107508752,1.496103688,1.66952378,6.364298638,0.689603997,0.287286308,2.968881801,1.313929368,2.41466809,1.091632479,0.210670681,0.775958511,1.027969301,0.155327167,1.07752815,0.094263192,5.07E-05,3.85E-28,5.64E-73,1.60E-139,8.70E-228,0,0,0,0,4.756253446,7.67531472,3.80248818,21.92598898,10.78998912,0.725482455,4.044085477,9.752479775,15.83823182,5.035135455,1.691661198,11.11149753,8.959131268,3.875269382,5.572723832,0.793998787,3.932220405,5.96210985,0.789704861,3.75455988,1.144322628,6.15E-04,4.67E-27,6.85E-72,1.94E-138,1.06E-226,0,0,0,0,2.010801988,7.674871233,1.152560696,9.278877877,1.966163037,0.112795982,1.964525954,2.715378079,7.164608449,1.228731439,0.477830334,4.077921731,2.150450739,2.447609411,1.663284666,0.309343461,1.238044278,1.707090244,0.222077477,1.588097235,0.204752248,1.10E-04,8.36E-28,1.23E-72,3.46E-139,1.89E-227,0,0,0,0,6.078612651,7.675503062,4.892039235,30.52151186,16.5377912,0.873954252,5.024544967,14.25501398,19.87325944,7.76168891,2.515185066,14.71121377,13.22411289,4.288552788,7.741556878,1.067059155,5.663444904,8.82134195,1.229977095,4.803684409,1.873087239,0.001006695,7.65E-27,1.12E-71,3.17E-138,1.73E-226,0,0,0,0,3.208651336,7.225790543,4.130591066,17.17200414,8.133980933,1.413897264,2.856222739,5.770142242,17.07685132,2.364019409,0.841165756,9.324103916,6.296168734,5.970877177,4.247365809,0.458555078,2.473939844,3.273098407,0.440349086,2.995427249,0.483617194,2.60E-04,1.98E-27,2.89E-72,8.18E-139,4.46E-227,0,0,0,0,12.04991456,0.861985178,0.473386725,0.900235837,0.064397963,0.564025505,0.588795778,0.571411935,13.38528646,16.49916968,34.80145197,0.850353755,1.724233218,10.20004113,0.524734737,0.093930533,0.942815227,0.04850254,0.404811629,0.208570249,0.022497317,10.8187064,6.359699818,17.6811521,0.91422284,0.635879195,11.06402356,0.607558628,0.24610074,0.928370357,0.050979593,0.475467372,0.292227922,0.154434027,11.91768292,9.594427975,23.16641064,0.892555536,0.922129321,11.93514438,0.866693711,0.457940325,0.900101344,0.065362609,0.553286416,0.595563216,0.534730472,13.25977841,16.20659247,34.20335808,0.850152017,1.683580103,11.43660558,0.658889426,0.317530349,0.921339098,0.053080487,0.508055238,0.344137792,0.257091452,12.41302535,11.37614522,26.18190733,0.882008647,1.109284482,12.15515104,0.899713479,0.501052629,0.896667552,0.066370535,0.573919287,0.641477421,0.640153092,13.55591715,17.47732742,36.5128329,0.845001328,1.8555498,11.96264091,0.871399266,0.458005929,0.899984909,0.065557948,0.555834464,0.601994571,0.534883692,13.29204611,16.30230301,34.36871125,0.849977364,1.692712727 +UMLYSI0231,L,2-methyl-1-pentene,CCCC(=C)C,alkenes,C6H12,763-29-1,12986,PubChem,,42.9,0,0.9796,0.95961616,28.1049,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,924.178589,697.201851,456.166706,143.338608,15.24096,0,0,2914.106344,3494.423905,4233.124071,3990.857093,2907.715577,1572.940224,466.2561665,0,0,125.864664,123.114164,212.050868,239.27646,248.298824,145.478592,100.77696,0,0,22.06875486,27.30703172,35.7627251,36.19725956,28.72181563,16.69511646,6.669193573,0,0,2979.777961,2471.442353,4748.191412,5445.13309,6159.247629,3533.524545,2773.76478,0,0,36.27777778,40.08333333,54.16666667,63.16666667,54.5,35,15,0,0,48.76541633,50.97680359,30.80595297,20.50593679,12.67129739,6.825648,1.016064,0,0,161.8947969,205.5543474,141.1041357,117.3781498,80.76987715,74.90191545,31.08374443,0,0,6.992481333,7.242009647,7.068362267,7.037542941,6.897189556,6.927552,6.718464,0,0,1.226041937,1.606295984,1.192090837,1.064625281,0.797828212,0.795005546,0.444612905,0,0,165.54322,145.3789619,158.2730471,160.1509732,171.0902119,168.2630736,184.917652,0,0,2.015432099,2.357843137,1.805555556,1.857843137,1.513888889,1.666666667,1,0,0,0.039124775,-0.004409176,-0.00832854,-0.018822097,0.011110003,-0.012156049,0.013043472,0,0,484.264036,-53.80711511,-40.35533633,-269.0355756,80.71067267,-161.4213453,201.7766817,0,0,900.5096538,-100.0566282,-75.04247115,-500.283141,150.0849423,-300.1698846,375.2123557,0,0,0.094864,-0.010540444,-0.007905333,-0.052702222,0.015810667,-0.031621333,0.039526667,0,0,4.025697139,-0.447299682,-0.335474762,-2.236498411,0.670949523,-1.341899046,1.677373808,0,0,21.86765075,-2.429738973,-1.822304229,-12.14869486,3.644608459,-7.289216918,9.111521147,0,0,5.160493827,-1.528120713,1.062757202,-2.963648834,1.688271605,-2.326131687,1.486625514,0,0,0.002173599,-2.59E-04,-2.78E-04,-5.54E-04,3.09E-04,-5.79E-04,8.70E-04,0,0,26.90355756,-3.165124418,-1.345177878,-7.912811046,2.24196313,-7.68673073,13.45177878,0,0,50.0283141,-5.885684011,-2.501415705,-14.71421003,4.169026175,-14.29380403,25.01415705,0,0,0.005270222,-6.20E-04,-2.64E-04,-0.001550065,4.39E-04,-0.001505778,0.002635111,0,0,0.223649841,-0.026311746,-0.011182492,-0.065779365,0.018637487,-0.063899955,0.111824921,0,0,1.214869486,-0.142925822,-0.060743474,-0.357314555,0.101239124,-0.347105568,0.607434743,0,0,0.286694102,-0.089889454,0.03542524,-0.087166142,0.046896433,-0.110768176,0.099108368,0,0,-0.119324369,-0.12772276,-0.25468874,0.141981679,-0.266313878,0.400057682,0,0,-0.117647059,-0.05,-0.294117647,0.083333333,-0.285714286,0.5,0,0,-0.117647059,-0.05,-0.294117647,0.083333333,-0.285714286,0.5,0,0,-0.117647059,-0.05,-0.294117647,0.083333333,-0.285714286,0.5,0,0,-0.117647059,-0.05,-0.294117647,0.083333333,-0.285714286,0.5,0,0,-0.117647059,-0.05,-0.294117647,0.083333333,-0.285714286,0.5,0,0,-0.313537855,0.123564593,-0.30403884,0.163576555,-0.386363636,0.34569378,0,0,1.410578496,1.147823276,1.222907152,0.742539615,1.191828999,0.083119264,0,0,1.5,1.133333333,1.3125,0.708333333,1.113095238,0,0,0,1.5,1.133333333,1.3125,0.708333333,1.113095238,0,0,0,1.5,1.133333333,1.3125,0.708333333,1.113095238,0,0,0,1.5,1.133333333,1.3125,0.708333333,1.113095238,0,0,0,1.5,1.133333333,1.3125,0.708333333,1.113095238,0,0,0,1.663277512,0.584120813,1.526016746,0.621486244,1.568694463,0,0,0,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,20.42029121,10.21014561,16.26167127,20.42029121,3.403381869,10.21024295,-1.78E-15,0.137040146,0.022840024,-1.192488815,25.3681927,4.228032117,1.94009768,28.54046478,14.09430646,23.24723,28.30589688,4.71764948,14.09430827,-0.351851852,0.180238238,0.030039706,-1.028085457,93.97254921,15.66209153,2.725801626,0,11.89,12.11007471,-0.173307264,0.049641164,5.172182174,7.378699054,5,17,16,16,4,1,1,0,0,1,13.118484,3.509509789,3.00861965,2.262902659,2.141043573,1.379788877,0.424417096,0.083923071,0.083923071,1.874624087,1.584109337,1.164868237,1.042942187,0.64012244,0.083923071,0.083923071,0.083923071,3.532363468,3.048689896,2.333133822,2.209460257,1.486312014,0.536930715,0.270913902,0.270913902,1.818000681,1.503276574,1.051065661,0.927186419,0.492791327,0.270913902,0.270913902,0.270913902,3.636051457,3.223537309,2.626375934,2.499237151,1.915342416,0.963715902,0.943918427,0.943918427,1.657359637,1.258033258,0.681610229,0.554435053,0.006770143,0.943918427,0.943918427,0.943918427,3.549373664,3.078163968,2.384102426,2.259374684,1.562752636,0.616168921,0.399277246,0.399277246,1.782439346,1.451112172,0.975670975,0.850703196,0.393624383,0.399277246,0.399277246,0.399277246,3.688375087,3.307384409,2.759159287,2.632200336,2.10108654,1.207644823,1.207644823,1.207644823,1.609293453,1.179526588,0.554654643,0.427824615,0.187161211,1.134156544,1.207644823,1.207644823,3.586723341,3.095911212,2.525735629,2.313103709,1.572946203,0.637933494,0.514285714,0.514285714,1.816692529,1.398803173,0.917864366,0.681223289,0.34634166,0.514285714,0.514285714,0.514285714,0,0,1,0,1,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.25,0,0,0,0.288675135,0.288675135,0,0.176776695,0.176776695,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.621320344,2.414213562,1.707106781,0.676776695,0.426776695,0,0,0,0.770220057,0.482842712,0.341421356,0.225592232,0.213388348,0,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,3,2,0,1,0,0,0,0,0,0,0,0,2,1,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.034212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368819444,0,0,0,0.759305556,0.580555556,0,0.368819444,0,0,0,0,0,0,0,0,4.220416667,3.744861111,2.412037037,0,0,0,0,0,0,1.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368819444,0,0,0,0.225625,0.290277778,0,0.368819444,0,0,0,0,0,0,0,0,2.059027778,3.744861111,1.180555556,0,0,0,0,0,0,1.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.744861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368819444,0,0,0,0.290277778,0.290277778,0,0.368819444,0,0,0,0,0,0,0,0,2.161388889,3.744861111,1.231481481,0,0,0,0,0,0,1.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.66666667,1.944444444,0.368819444,3.744861111,0.081597222,1.180555556,3.994889074,0.377314815,0.744861111,1.930555556,0.377314815,0.744861111,1.930555556,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.5,0.16667,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.50196,0.75033,5.69868,1.19673,0.19945,2.22875,0.37146,2.77005,0.5413,0.09022,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.213298282,3.308270835,3.308270835,3.076608334,2.261069445,16.52932501,39.83936908,59.54887502,59.54887502,55.37895002,40.69925001,0.220218789,0.53077652,0.793364589,0.793364589,0.737809033,0.542232641,3.251629167,1.956626719,0.861654167,0.861654167,1.093316667,1.908855556,0.220218789,0.53077652,0.793364589,0.793364589,0.737809033,0.542232641,6.73287657,17.50946582,18.61300657,18.61300657,15.83305657,9.918186589,23.69925001,13.75537171,13.03809584,13.03809584,11.64812084,8.163743058,6,3.2,5.333333333,6,2,5,2.12,0.911,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.104,0.088,0.143,0.175,2.638,5,3,2,0,0,0,0,0,0,21,1.945910149,2.079441542,1.609437912,1.386294361,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,109.6959078,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,84.09390038,4.671883355,10.67917749,1.779862916,0,0,0,32,3,2.881,20,1.218176471,2.110601001,2.932698089,3.572508005,4.508951691,5.488026661,0,0,0,0,72.09694811,74.30938985,66.9830753,54.50861221,34.05797138,5.576186321,0,0,0,0,273.7619267,324.294709,363.7635244,317.5541809,362.4791392,170.5884182,0,0,0,0,8.854038609,14.97828794,20.68315813,24.71652767,31.35409745,36.87110955,0,0,0,0,2.083499297,2.677482179,3.241348729,3.035222925,3.782555501,2.440047476,0,0,0,0,175.1053983,329.7544042,466.4994325,605.5816193,749.2829873,1014.833004,0,0,0,0,2.944308824,3.998058916,5.568553144,5.603822318,7.838853047,5.488026661,0,0,0,0,0.432308382,0.564673059,0.692083803,0.657742344,0.827415843,0.56197393,0,0,0,0,345.7454924,129.0262223,10.45593991,162.1492469,-60.51128716,-10.50042628,183.5962455,189.5375094,20.95636619,0.680742417,0.254041265,0.020586825,0.319257583,-0.119141394,-0.020674414,175.6023167,65.53173953,5.310516876,82.3547495,-30.73336442,-5.33311127,0.143178198,0.267189428,4.510370501,6.184421945,507.8947393,0,1,0,333.2330094,18.25467089,6.932917066,449.9020669,21.21089501,7.66253838,502.1520734,22.40874993,7.948376307,1.524863477,1.524863477,320.5330172,269.0760086,64.85717175,1.191235959,4.94213683,4.148747184,3.6421286,3.477616438,6.454645435,0.856054442,3.510134988,3.965523711,4.772086919,10.38910679,2.338632526,3.938684801,2.588672017,8.163641833,1.939448387,1.654087221,0.11409806,1.628283808,2.42E-13,6.96E-48,3.86E-104,4.12E-182,8.49E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,0.294592014,3.965317641,0.192876381,4.646356408,0.029704862,0.186749218,0.30638318,0.315332559,0.936676212,0.023743503,8.35E-04,0.011468136,1.71E-15,4.90E-50,2.72E-106,2.90E-184,5.98E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0.950952888,3.965331835,0.759429803,5.245572743,0.205094294,0.697478956,0.662079463,1.260184006,1.126065737,0.15247152,0.008454788,0.119506819,1.78E-14,5.11E-49,2.83E-105,3.02E-183,6.23E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,3.313281751,3.965501237,4.361507739,9.834830795,2.092597791,3.618740881,2.409978309,7.450694011,1.87264759,1.482089116,0.101680928,1.450771558,2.16E-13,6.20E-48,3.44E-104,3.67E-182,7.57E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,1.401524051,3.965349854,1.25766561,5.827051963,0.413356018,1.123829408,0.938964829,2.103918062,1.260617899,0.301428875,0.018287696,0.25958478,3.87E-14,1.11E-48,6.15E-105,6.57E-183,1.35E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,4.238993919,3.965618119,6.440158184,12.67150208,3.368449046,5.22576876,3.294546008,11.06733024,2.192926369,2.37288469,0.166298926,2.374698905,3.54E-13,1.02E-47,5.63E-104,6.01E-182,1.24E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,1.899994637,2.95134019,1.615036861,6.47688654,0.679806903,1.501221817,1.059260407,2.726447616,1.448690569,0.479094842,0.030285749,0.430664452,6.41E-14,1.84E-48,1.02E-104,1.09E-182,2.25E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,4.087574431,1.237328514,0.369336683,0.717843768,0.217294774,0.563798613,0.468392481,0.444427299,5.694239629,7.024354391,14.58657797,0.576765652,1.476618394,3.132393952,0.694175952,0.079623165,0.801904539,0.177711634,0.331998834,0.150656041,0.020655452,3.906193068,2.479116158,6.558444428,0.702856809,0.503310327,3.511332882,0.910326271,0.194687971,0.760630167,0.197196235,0.416596104,0.256819851,0.123490649,4.616347124,4.057302417,9.295961573,0.64094525,0.796906604,4.063887342,1.223921099,0.362164193,0.71927558,0.216624253,0.557305446,0.458532136,0.427333418,5.649972634,6.888932339,14.34026529,0.57891337,1.443171,3.680435086,1.00647984,0.24597709,0.746100882,0.204034436,0.457469402,0.312730254,0.197126567,4.932892017,4.857157414,10.70121836,0.619151323,0.967326223,4.161743349,1.279292586,0.391791836,0.713503555,0.219326309,0.584375552,0.499902719,0.500111225,5.832827771,7.455840871,15.37460262,0.570255332,1.584389496,4.06655996,1.230298281,0.361546704,0.718676023,0.217428461,0.558155859,0.46449127,0.425877455,5.658404944,6.918143363,14.38539601,0.578014034,1.448524584 +UMLYSI0232,L,cyclohexane,C1CCCCC1,cyclic alkanes,C6H12,110-82-7,8078,PubChem,,42.7,0,-1.728,2.985984,17.4696,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,1010.869782,1162.251222,747.748011,169.670592,12.192768,0,0,0,2914.106344,3917.940807,5481.28267,4770.239364,2122.849263,373.0049332,0,0,0,125.864664,130.65468,256.377048,354.687852,246.65472,80.621568,0,0,0,22.06875486,30.09593172,46.12614087,45.76247316,24.03324144,5.335354858,0,0,0,2979.777961,2598.236709,5545.213194,8493.347862,6275.494221,2219.011824,0,0,0,25.5,31.5,55.5,66.75,42,12,0,0,0,48.76541633,56.15943233,32.28475617,14.66172571,4.713072,1.016064,0,0,0,161.8947969,217.6633782,152.2578519,93.53410519,58.96803508,31.08374443,0,0,0,6.992481333,7.258593333,7.121584667,6.954663765,6.85152,6.718464,0,0,0,1.226041937,1.671996207,1.281281691,0.897303395,0.66759004,0.444612905,0,0,0,165.54322,144.3464838,154.0336998,166.5362326,174.3192839,184.917652,0,0,0,1.416666667,1.75,1.541666667,1.308823529,1.166666667,1,0,0,0,0.025088129,2.17E-18,-0.012544065,-0.00836271,-3.25E-18,0.00836271,0,0,0,484.264036,5.04E-13,-242.132018,-161.4213453,-6.15E-13,161.4213453,0,0,0,900.5096538,2.98E-13,-450.2548269,-300.1698846,-4.33E-13,300.1698846,0,0,0,0.094864,1.35E-15,-0.047432,-0.031621333,-1.35E-15,0.031621333,0,0,0,4.025697139,2.94E-15,-2.01284857,-1.341899046,-4.00E-15,1.341899046,0,0,0,21.86765075,6.44E-14,-10.93382538,-7.289216918,-6.84E-14,7.289216918,0,0,0,1,-3.47E-16,-0.5,-0.333333333,1.80E-16,0.333333333,0,0,0,0.001393785,1.20E-19,-3.48E-04,-1.64E-04,-9.04E-20,6.97E-04,0,0,0,26.90355756,2.80E-14,-6.725889389,-3.165124418,-1.71E-14,13.45177878,0,0,0,50.0283141,1.66E-14,-12.50707852,-5.885684011,-1.20E-14,25.01415705,0,0,0,0.005270222,7.53E-17,-0.001317556,-6.20E-04,-3.74E-17,0.002635111,0,0,0,0.223649841,1.63E-16,-0.05591246,-0.026311746,-1.11E-16,0.111824921,0,0,0,1.214869486,3.58E-15,-0.303717372,-0.142925822,-1.90E-15,0.607434743,0,0,0,0.055555556,-1.93E-17,-0.013888889,-0.006535948,5.01E-18,0.027777778,0,0,0,8.64E-17,-0.25,-0.117647059,-6.48E-17,0.5,0,0,0,1.04E-15,-0.25,-0.117647059,-6.35E-16,0.5,0,0,0,3.31E-16,-0.25,-0.117647059,-2.41E-16,0.5,0,0,0,1.43E-14,-0.25,-0.117647059,-7.10E-15,0.5,0,0,0,7.31E-16,-0.25,-0.117647059,-4.96E-16,0.5,0,0,0,2.94E-15,-0.25,-0.117647059,-1.56E-15,0.5,0,0,0,-3.47E-16,-0.25,-0.117647059,9.02E-17,0.5,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,1.416666667,1.416666667,1,0.708333333,0,0,0,0,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,18,9,13,18,3,9.000420062,0,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,0,11.9,12.1000824,-0.152797442,0.047284962,6.45375,6.653832404,6,18,18,18,6,0,0,0,0,0,13.118484,3.573186822,2.750129472,2.750129472,1.456797487,1.456797487,1.056465515,0.083923071,0.083923071,1.972542445,1.372874417,1.372874417,0.666206401,0.666206401,0.489263751,0.083923071,0.083923071,3.600648477,2.792995694,2.792995694,1.556142907,1.556142907,1.185878035,0.270913902,0.270913902,1.914964133,1.285229005,1.285229005,0.522081792,0.522081792,0.329734575,0.270913902,0.270913902,3.72034929,2.981537655,2.981537655,1.9628467,1.9628467,1.687973407,0.943918427,0.943918427,1.74405498,1.018928274,1.018928274,0.037619229,0.037619229,0.223569137,0.943918427,0.943918427,3.620820476,2.824624264,2.824624264,1.62787375,1.62787375,1.27745173,0.399277246,0.399277246,1.878174485,1.228596505,1.228596505,0.425347018,0.425347018,0.22154323,0.399277246,0.399277246,3.778078745,3.072480534,3.072480534,2.141548494,2.141548494,1.897819044,1.207644823,1.207644823,1.690174221,0.933903671,0.933903671,0.135164289,0.135164289,0.429566078,1.207644823,1.207644823,3.666666667,2.896805253,2.896805253,1.786299648,1.786299648,1.474809634,0.666666667,0.666666667,1.808142967,1.119632981,1.119632981,0.230138587,0.230138587,1.46E-16,0.666666667,0.666666667,0,0,0,0,0,0,6,0,0,0,0,0,0.125,0,0,0,0,0.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.3406,27.702,21,27,42,7,21,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,36,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,0,0,9,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,1.5,0.2,1.5,0.2,1.5,4.338,0,0,0,0,0,0,3,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0,0,0,3,0.5,3,0.5,0,0,-3,-0.5,0,0,5,0.83333,5,0,0,3,0.5,3,0,0,-0.086,-0.01433,0,0,0.333333333,6,0,0,0,0,0,0,1,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,16.52932501,16.52932501,16.52932501,16.52932501,16.52932501,16.52932501,0.220218789,0.220218789,0.220218789,0.220218789,0.220218789,0.220218789,3.251629167,3.251629167,3.251629167,3.251629167,3.251629167,3.251629167,0.220218789,0.220218789,0.220218789,0.220218789,0.220218789,0.220218789,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,23.69925001,23.69925001,23.69925001,23.69925001,23.69925001,23.69925001,4.166666667,2.222222222,1.333333333,0,0,0,2.12,0.8454,0,0,0,0,9.125465128,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.071,0.064,0.277,0.248,3.124,6,6,6,6,0,0,0,0,0,36,1.945910149,1.945910149,1.945910149,1.945910149,1.945910149,0,0,0,0,0,3.610917913,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,13,18,3,9.000420062,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,0,99.97590776,3.584962501,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,65.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921172722,84.09390038,4.671883355,11.8125,1.96875,0,0,0,27,3,3.414,24,1.215665947,2.074379101,2.769165856,3.596574681,4.089693115,0,0,0,0,0,77.3164608,74.52439015,41.96284432,16.39683731,4.155389945,0,0,0,0,0,285.7401037,335.9609385,270.4409159,207.9038666,127.1229756,0,0,0,0,0,8.852968597,14.81260568,19.31492079,24.62206198,27.47645596,0,0,0,0,0,2.147256838,2.776238206,2.577511614,2.367619398,1.818330336,0,0,0,0,0,173.6750992,316.7529272,456.6693335,628.5407219,756.2564483,0,0,0,0,0,2.178748381,3.259578383,3.694505166,4.171025122,4.089693115,0,0,0,0,0,0.444517095,0.584941195,0.556932658,0.526378009,0.418784575,0,0,0,0,0,290.9713009,92.17524248,7.681270207,76.20008249,-24.13901666,-4.023169444,214.7712184,116.3142591,11.70443965,0.792467262,0.251041466,0.020920122,0.207532738,-0.065743186,-0.010957198,106.8363351,33.84411129,2.820342608,27.9784897,-8.863156141,-1.47719269,0.083333333,0.166666667,1.81032095,0.471729772,367.1713834,0,1,0,434.5588978,20.84607632,7.574422894,550.8033308,23.46919962,8.197199771,642.6816409,25.35116646,8.62975828,1.169090596,1.154177849,182.6124473,110.2037714,101.5087077,1.657043538,1.798983076,1.085658303,3.079233852,3.651473827,4.684853365,0.283003408,3.347426595,3.674795795,4.905934579,8.466492148,13.26323839,3.209175198,6.437626672,0.50634263,9.37E-05,2.52E-29,1.32E-75,1.33E-143,2.61E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.281494244,3.674127838,0.388853104,2.220720186,0.746388657,0.243584491,0.046575979,0.003566213,6.60E-07,1.78E-31,9.29E-78,9.39E-146,1.84E-235,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.9073164,3.674173318,1.270328772,2.643423609,2.631529279,0.803280818,0.475658966,0.037162684,6.87E-06,1.85E-30,9.68E-77,9.79E-145,1.92E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.159732414,3.674722759,4.615054378,7.782653239,12.26000737,3.011476539,5.736660006,0.451142167,8.35E-05,2.25E-29,1.18E-75,1.19E-143,2.33E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336923691,3.674231519,1.887476386,3.18662964,4.124501233,1.201047437,1.030155174,0.080722316,1.49E-05,4.03E-30,2.10E-76,2.13E-144,4.16E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.042373668,3.675102714,5.999223782,11.34074458,17.24679984,3.959498418,9.384644447,0.738453138,1.37E-04,3.68E-29,1.92E-75,1.95E-143,3.81E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.231824381,3.674423282,3.20451608,4.979628373,7.754366674,2.065050348,2.864737904,0.225041169,4.16E-05,1.12E-29,5.86E-76,5.93E-144,1.16E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.720708356,1.540540271,0.622950455,0.443002102,0.396617227,0.592858473,0.540562305,0.424527571,3.884199082,4.682416834,10.21794576,0.259428993,1.557948348,1.137361705,1.034426015,0.172942371,0.485071484,0.441170614,0.258820991,0.243723903,0.032483827,2.344730091,1.552110653,4.100310303,0.389363148,0.535028721,1.369017678,1.235438217,0.35170131,0.463107197,0.417920338,0.375104478,0.347649494,0.13477387,2.956157205,2.607327309,6.158329868,0.321541302,0.857527842,1.70626349,1.528010311,0.611812367,0.443636314,0.397289672,0.582935372,0.531804754,0.409422214,3.846086168,4.585956914,10.02715307,0.261388978,1.52416234,1.472289886,1.325037604,0.431367945,0.456001477,0.410394114,0.433890576,0.399904231,0.20300516,3.228695436,3.157516875,7.227741921,0.299593387,1.036799966,1.76593219,1.579768228,0.657820025,0.441094835,0.39459477,0.624468349,0.568442316,0.473597785,4.003520443,4.990632298,10.82931508,0.253534408,1.66650845,1.710082389,1.531322963,0.61475705,0.443467419,0.397110599,0.585550657,0.534113107,0.413388993,3.856162402,4.611365223,10.0773848,0.260867028,1.533052757 +UMLYSI0233,L,"4,4-dimethyl-2-pentanone",CC(=O)CC(C)(C)C,saturated alkanone,C7H14O,590-50-1,11546,PubChem,,42.7,0,1.3371,1.78783641,34.4464,22.457102,0,0,22,8,14,0,7,0,1,0,0,0,0,0,0,0,1280.041744,1227.247947,1745.363186,1309.924777,1206.38865,363.070512,27.433728,0,0,3616.181511,4450.143542,6233.468758,6766.856684,5140.849574,2803.38177,839.2610996,0,0,160.193824,154.923828,281.61404,358.021804,480.776448,213.357888,181.398528,0,0,26.39008467,33.66236034,48.58655672,57.48346371,48.42250987,24.85670945,12.00454843,0,0,3661.858907,3057.825133,6174.931745,7405.098949,12108.68388,4422.864349,4992.776605,0,0,85.59027778,53.875,85.66666667,126.25,123.75,99,27,0,0,58.18371564,58.44037843,44.75290221,27.29009952,17.48389348,13.447056,1.016064,0,0,164.3718869,211.9115972,159.8325322,140.9761809,74.50506629,103.8289545,31.08374443,0,0,7.281537455,7.377325143,7.220872821,7.458787583,6.967774609,7.902144,6.718464,0,0,1.199549303,1.60296954,1.245809147,1.197572161,0.701775505,0.920618869,0.444612905,0,0,166.4481321,145.6107206,158.3315832,154.2728948,175.4881722,163.8097907,184.917652,0,0,3.890467172,2.56547619,2.196581197,2.630208333,1.793478261,3.666666667,1,0,0,0.128752792,-0.045506192,0.02465756,-0.09760392,0.115768112,-0.081363656,0.019671699,0,0,687.3645011,-46.5210804,290.5882482,-1050.224636,910.5124428,-920.3256962,472.2884708,0,0,1066.90404,-96.33311012,383.269241,-1613.760258,1167.357845,-1101.065196,727.0794583,0,0,1.085692364,-0.003217983,0.169914083,-0.611294612,0.59017795,-0.943899174,0.255473554,0,0,4.734521863,-0.459492824,1.26559107,-6.36213018,3.743748644,-3.412963312,2.85798567,0,0,26.12162368,-2.544279046,6.135129711,-33.24516087,17.91963564,-16.23400267,14.90786538,0,0,34.83238636,-2.48110365,7.803762052,-21.98467631,22.06736398,-30.09258781,7.271048554,0,0,0.0058524,-0.002166962,6.32E-04,-0.002033415,0.001677799,-0.003013469,7.29E-04,0,0,31.24384096,-2.215289543,7.450980724,-21.87967991,13.1958325,-34.0861369,17.49216559,0,0,48.49563818,-4.587290958,9.827416435,-33.62000539,16.91822964,-40.78019244,26.92886883,0,0,0.049349653,-1.53E-04,0.004356771,-0.012735304,0.008553304,-0.034959229,0.009461983,0,0,0.215205539,-0.021880611,0.032451053,-0.132544379,0.054257227,-0.126406049,0.105851321,0,0,1.187346531,-0.121156145,0.157311018,-0.692607518,0.259704864,-0.601259358,0.552143162,0,0,1.583290289,-0.118147793,0.200096463,-0.45801409,0.319816869,-1.114540289,0.269298095,0,0,-0.37026889,0.108031777,-0.347449786,0.286685605,-0.514911647,0.124492774,0,0,-0.07090324,0.238478385,-0.700287776,0.422349881,-1.0909714,0.559859641,0,0,-0.094591826,0.202645368,-0.693258335,0.348860852,-0.840904336,0.555284348,0,0,-0.003105134,0.088283728,-0.258062695,0.173320442,-0.708398674,0.191733536,0,0,-0.101673083,0.150790975,-0.615896688,0.25211817,-0.587373583,0.491861508,0,0,-0.102039415,0.132489559,-0.583323823,0.218727101,-0.506389114,0.465022761,0,0,-0.074621687,0.126380149,-0.289279921,0.201995093,-0.70393932,0.170087631,0,0,1.122690651,0.642061371,1.557631624,0.351445619,3.083278954,0.004389092,0,0,1.244484016,0.771175824,1.826743679,0.332192959,2.377221029,0,0,0,1.493214171,0.926352208,1.846630661,0.400062973,1.75082035,0,0,0,0.532603912,0.503000116,1.48391034,0.386567348,3.788795185,0,0,0,1.567567372,1.001380104,1.806034144,0.460822182,1.501514507,0,0,0,1.571413854,1.016134284,1.786265691,0.479329143,1.465059554,0,0,0,0.614849251,0.458606505,1.525796564,0.34595022,3.818285621,0,0,0,31.56983025,15.90991512,24.01976716,31.75733025,3.969666281,15.90991552,0.25,0.006016257,7.52E-04,-4.090631939,29.18902975,3.648628719,2.699034356,31.57165878,15.91046218,24.02054921,31.75860796,3.969825996,15.91046257,0.249265579,0.006042631,7.55E-04,-4.087132564,29.19109522,3.648886903,2.699090964,33.203288,16.40214676,24.7503791,32.90404215,4.113005268,16.40214698,-0.398994478,0.031682787,0.003960348,-2.761585385,31.8798423,3.984980287,2.769579126,31.57357789,15.91103635,24.02137009,31.75994899,3.969993624,15.91103674,0.2484948,0.006070317,7.59E-04,-4.083475537,29.19326465,3.649158081,2.699150416,34.95528182,16.93649378,25.61747193,34.14356112,4.26794514,16.9364939,-1.082294264,0.064335517,0.00804194,-2.194914748,39.4652045,4.933150563,2.940335508,31.76147212,15.96730316,24.10213966,31.89132276,3.986415346,15.96730352,0.173134186,0.008807546,0.001100943,-3.78571713,29.41408847,3.676761059,2.705179007,40.99298632,20.52969037,31.93686129,41.25953961,5.157442451,20.52969038,0.533106576,0.056909154,0.007113644,-2.293039252,23.87570676,2.984463345,2.538289191,0,11.89,15.99491639,-0.299479844,0.130151286,4.272434254,8.670663483,7,21,20,20,6,1,1,0,0,1,16.262898,3.615208428,3.200475329,2.333552793,2.333552793,2.223921688,1.871011261,0.472623894,0.083923071,1.916405306,1.57360093,1.249629723,1.249629723,1.097615734,0.211820446,0.083923071,0.083923071,3.603833777,3.150475677,2.405454588,2.405454588,2.280652146,1.694404985,0.571645004,0.270913902,1.875537907,1.538791246,1.134540686,1.134540686,0.992122353,0.367019273,0.270913902,0.270913902,3.718875851,3.335090678,2.704236987,2.704236987,2.577608644,2.11639659,0.966363026,0.943918427,1.715175853,1.297686009,0.76031856,0.76031856,0.621849602,0.082794738,0.943918427,0.943918427,3.612414625,3.149707688,2.457539916,2.457539916,2.328219488,1.651773227,0.643983232,0.399277246,1.852269352,1.518844406,1.058262671,1.058262671,0.922671752,0.414241492,0.399277246,0.399277246,3.758447882,3.380737368,2.838982085,2.838982085,2.704941178,2.15838398,1.207644823,1.207644823,1.674788151,1.248568399,0.631337262,0.631337262,0.49853006,0.127284759,1.124411984,1.207644823,4.693079164,3.492476167,2.799576382,2.600475434,2.600475434,2.324194678,0.621206697,0.563758389,1.831822861,1.303136608,0.909200266,0.909200266,0.824095431,0.411072147,0.563758389,0.563758389,0,0,0,1,0,4,1,0,1,0,0,0,0,0,0,0,0,0,0,1.968908462,0.353553391,0,0,1.704997739,0.353553391,0,0,0.816496581,2.041241452,1.020620726,0.60249887,1.140119483,0.46545183,6.78445705,3.416502219,4.158631167,1.020620726,1.224744871,0,0,0,0.848057131,0.488071746,0.415863117,0.204124145,0.204124145,0,0,0,6.115355072,2.911230926,3.43945197,0.779275565,0.746836437,0,0,0,0.764419384,0.415890132,0.343945197,0.155855113,0.124472739,0,0,0,11.50759373,21.54552076,20.42745098,20.72,13.07012096,169.3523066,0.523072442,0.979341853,0.928520499,0.941818182,0.594096407,7.697832118,2.0116,34.753,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,45,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,2,0,0,0,0,0,0,0,0,0,0,4,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.459375,0.275462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.198263889,0.802777778,0,0,0,0,0,0,0,0,0,0,7.821875,0,0.6875,0,0,0,0,0,0,0.275462963,0,0,0.172453704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.459375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.459375,0.275462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.265625,0.401388889,0,0,0,0,0,0,0,0,0,0,1.630208333,0,0.6875,0,0,0,0,0,0,0.275462963,0,0,0.172453704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.459375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.459375,0.275462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.063888889,0,0.6875,0,0,0,0,0,0,0.275462963,0,0,0.172453704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.459375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.41666667,2.427083333,0.494097222,10.459375,0.105902778,0.172453704,3.71383588,1.391203704,3.459375,7.302083333,1.391203704,3.459375,7.302083333,3.83333,0.47917,0,0.02083,0.4803,0.79583,0.42308,0.4803,0.79583,0.05723,0,-0.05723,0,0.60209,0.1122,0,0.6087,0.13043,0.13043,5.25,0.65625,3.75,0.46875,1.5,0.1875,-2.25,-0.28125,0,0,7.67666,0.95958,9.73928,2.06262,0.25783,2.67412,0.33426,3.41649,0.74238,0.0928,0.49751,0.06219,0.49751,0.06219,0,7.01,1,1,1,1,0,0,0.857142857,1.143320102,1.820438145,2.639472527,2.639472527,2.43677109,1.716874432,25.15304225,40.0496392,58.06839559,58.06839559,53.60896397,37.7712375,0.256382472,0.408222011,0.591885413,0.591885413,0.546430868,0.384998488,3.316111517,2.638993473,1.819959092,1.819959092,2.022660529,2.742557187,0.256382472,0.408222011,0.591885413,0.591885413,0.546430868,0.384998488,9.968326343,18.09374286,18.91918621,18.91918621,16.48676897,11.30497977,29.50877429,19.35137167,20.09459676,20.09459676,18.87838814,15.81698332,8,2.52,7.2,8,1,5,2.12,1.1106,2.121320344,2,1.754765351,3.039342743,0,1,1,0,0.5,0,0,0,0,0,0,0,0,0,0,0.003,0.47,0.45,0.519,0.158,3.475,10,5,6,0,0,0,0,0,0,36,2.197224577,2.564949357,1.945910149,2.302585093,0,0,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,2,4,1,4,0.666666667,0.75,0,0,0,0,0,0,0,0.571428571,0.066666667,0.15,0,0,0,0,0,0,0,0.788095238,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,17.07,135.7821191,4,3.555348061,4.17438727,5.056245805,5.686975356,6.577861358,7.211556733,8.105005538,8.739536423,9.633841843,73.74075839,2.708050201,0,4.007333185,0,5.416100402,0,6.882437471,0,8.379079889,8.635687085,114.1044651,5.186566594,14.27908074,1.784885093,2.354719196,2.354719196,0,66,5,2.121,34,1.233333333,2.125681463,2.984240612,3.454288445,4.42784733,5.245281565,0,0,0,0,82.62061363,108.4986239,84.15394876,65.18569095,58.27534556,5.329541768,0,0,0,0,286.274389,373.7138428,428.8321085,276.4806258,470.0456501,163.0429916,0,0,0,0,9.129617831,15.45834364,22.24699775,24.08403867,34.24818444,35.24023536,0,0,0,0,2.113145198,2.843546068,3.624363254,2.556429931,4.258659323,2.332119873,0,0,0,0,177.4424221,331.4291749,459.5349135,602.2623093,715.2261317,969.9451512,0,0,0,0,3.201188492,4.989775223,7.819413663,6.183797919,14.66056996,5.245281565,0,0,0,0,0.449709286,0.620467648,0.80856157,0.585827453,1.021817037,0.537116832,0,0,0,0,400.0884676,206.3244257,15.94508043,134.5371919,-69.3804273,-11.64937101,265.5512757,275.704853,27.59445145,0.748352535,0.385923163,0.029824757,0.251647465,-0.129773845,-0.021789772,213.8975608,110.3063321,8.524649142,71.92703492,-37.0925567,-6.22805266,0.25225939,0.580684867,12.13782299,17.51294322,504.4665418,30.15911767,0.943588346,0.056411654,506.3771674,22.50282577,7.970606549,641.9956726,25.33763352,8.626686854,929.0329295,30.48004149,9.757615543,1.576897745,1.576897745,390.3229872,360.4527035,144.7572893,1.082868802,2.696396079,2.490048724,3.878115343,3.495611802,6.53517661,0.869537289,3.917822784,5.778274641,2.528827268,18.05749575,3.251385282,5.440835381,4.820234807,6.353972554,7.459898843,0.362202555,2.918126031,1.767220178,8.27E-10,7.47E-41,1.30E-93,4.37E-168,2.83E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,0.345289482,5.77803135,0.140835709,9.168659441,0.679128494,0.260702302,0.425372314,0.429015256,0.963297829,0.004555926,0.060297893,0.012446676,5.83E-12,5.26E-43,9.16E-96,3.08E-170,1.99E-266,0,0,0,0,0,0,0,0,0,0,0,0,0,1.067258616,5.777930241,0.501671977,10.09406128,0.940972005,0.970241946,0.764791002,1.272199419,1.616024566,0.031734601,0.316287283,0.129703963,6.07E-11,5.48E-42,9.55E-95,3.21E-169,2.08E-265,0,0,0,0,0,0,0,0,0,0,0,0,0,3.70321596,5.778306427,2.33784901,18.39230199,3.652299961,5.001246247,4.42270035,6.224456098,6.823970776,0.32409645,2.627364747,1.574561362,7.37E-10,6.65E-41,1.16E-93,3.89E-168,2.52E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,1.565367409,5.777910752,0.786966004,10.81602576,1.033692067,1.560449346,1.166040157,1.867783963,2.264036777,0.06399819,0.589214231,0.281734338,1.32E-10,1.19E-41,2.07E-94,6.96E-169,4.51E-265,0,0,0,0,0,0,0,0,0,0,0,0,0,4.731361413,5.778457883,3.286790429,21.26154491,4.452654312,7.210480805,6.685956692,8.417171591,10.08494763,0.521698952,4.126174448,2.577324543,1.21E-09,1.09E-40,1.90E-93,6.37E-168,4.13E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,2.442311788,4.665920585,1.010590622,19.76831426,5.049434381,2.491411333,2.360739492,4.859979757,3.669589329,0.123404801,1.091756981,0.56166414,2.63E-10,2.37E-41,4.13E-94,1.39E-168,8.99E-265,0,0,0,0,0,0,0,0,0,0,0,0,0,3.590276393,1.170344425,1.057540377,0.617080942,0.201153661,0.466002586,0.482691294,0.440889582,5.818161195,9.236408697,19.49820646,0.425621414,1.389583462,2.70240924,0.790926064,0.503389605,0.676155928,0.197893546,0.266457473,0.210095542,0.099895151,3.996724909,3.895914582,8.968587404,0.514233892,0.576448166,3.078486166,0.8927076,0.743674242,0.652931569,0.189338832,0.341629161,0.281388859,0.218022542,4.714868008,5.701462509,12.46008714,0.479397354,0.841040562,3.537659028,1.175507087,1.027338568,0.61626272,0.204774171,0.451727495,0.487988048,0.416066842,5.740504684,9.000560589,19.01329715,0.424394079,1.355782385,3.259439312,0.94850104,0.852891744,0.644052055,0.187419978,0.383713938,0.317478631,0.286763414,5.060832095,6.680499161,14.37811566,0.466078083,0.987955983,3.647501045,1.211446352,1.093099745,0.612814542,0.203534401,0.481003971,0.517142776,0.471037526,5.952047141,9.730065993,20.51224964,0.419221813,1.469184272,3.543698798,1.178840741,1.028246936,0.616211159,0.204987743,0.453219662,0.490811979,0.416802936,5.750786475,9.033393328,19.07963667,0.424316738,1.360834577 +UMLYSI0234,L,"2,4-dimethyl-3-pentanone",CC(C)C(=O)C(C)C,saturated alkanone,C7H14O,565-80-0,11271,PubChem,,42.6,0,1.2048,1.45154304,35.5192,22.457102,0,0,22,8,14,0,7,0,1,0,0,0,0,0,0,0,1280.041744,1227.247947,1624.297177,1704.94348,983.599012,302.76288,36.578304,0,0,3616.181511,4450.143542,6008.341344,6425.169835,5104.608181,3126.683726,1119.0148,0,0,160.193824,154.923828,281.590324,354.919936,385.349008,251.444736,241.864704,0,0,26.39008467,33.66236034,47.58013244,51.87000289,43.83716998,32.0604183,16.00606457,0,0,3661.858907,3057.825133,6169.464833,7691.117356,8692.784897,5893.952969,6657.035473,0,0,85.33333333,53.44444444,81.11111111,139.3333333,143,60,36,0,0,58.18371564,58.44037843,41.64864556,35.51965583,19.28625514,8.41008,1.016064,0,0,164.3718869,211.9115972,154.0600345,133.8577049,100.0903565,86.85232572,31.08374443,0,0,7.281537455,7.377325143,7.220264718,7.394165333,7.555862902,6.984576,6.718464,0,0,1.199549303,1.60296954,1.220003396,1.08062506,0.859552353,0.890567175,0.444612905,0,0,166.4481321,145.6107206,158.191406,160.2316116,170.4467627,163.7209158,184.917652,0,0,3.878787879,2.544973545,2.07977208,2.902777778,2.803921569,1.666666667,1,0,0,0.130461031,-0.055451428,-0.019467619,0.07642928,-0.065913561,-0.021087707,0.02026052,0,0,687.3645011,-46.5210804,169.5222392,-141.2197929,-480.4544085,-474.7271691,629.7179611,0,0,1066.90404,-96.33311012,158.1418275,-501.8169853,-163.6442419,-899.238788,969.4392777,0,0,1.085692364,-0.003217983,0.146198083,0.014169388,-1.021738479,-0.018888595,0.340631405,0,0,4.734521863,-0.459492824,0.259166785,-3.017685834,1.062849206,-4.022745825,3.81064756,0,0,26.12162368,-2.544279046,0.668217023,-17.74619716,8.504461302,-21.82016781,19.87715385,0,0,34.82828283,-2.386593205,1.955922865,4.071625344,-27.79889807,-2.809917355,9.553719008,0,0,0.005930047,-0.002640544,-4.99E-04,0.001592277,-0.001292423,-5.86E-04,5.63E-04,0,0,31.24384096,-2.215289543,4.346724083,-2.942079019,-9.420674677,-13.18686581,17.49216559,0,0,48.49563818,-4.587290958,4.054918654,-10.45452053,-3.208710625,-24.97885522,26.92886883,0,0,0.049349653,-1.53E-04,0.003748669,2.95E-04,-0.020034088,-5.25E-04,0.009461983,0,0,0.215205539,-0.021880611,0.006645302,-0.062868455,0.020840181,-0.11174294,0.105851321,0,0,1.187346531,-0.121156145,0.01713377,-0.369712441,0.166754143,-0.606115772,0.552143162,0,0,1.583103765,-0.113647295,0.050151868,0.084825528,-0.545076433,-0.07805326,0.265381084,0,0,-0.445282179,-0.084176352,0.268509963,-0.217944782,-0.098779934,0.094905188,0,0,-0.07090324,0.13912259,-0.094165088,-0.301521016,-0.42206289,0.559859641,0,0,-0.094591826,0.08361409,-0.215576512,-0.066164932,-0.515074266,0.555284348,0,0,-0.003105134,0.075961401,0.005981716,-0.405962082,-0.010631953,0.191733536,0,0,-0.101673083,0.030878862,-0.292132141,0.096838495,-0.519238213,0.491861508,0,0,-0.102039415,0.014430303,-0.311377034,0.140442692,-0.510479255,0.465022761,0,0,-0.071787648,0.031679457,0.053581787,-0.344308721,-0.049303944,0.167633411,0,0,1.217126887,0.824455996,1.199972138,2.025006384,0.344793426,0,0,0,1.244484016,0.866015446,1.165027378,1.387940706,1.232915086,0,0,0,1.493214171,1.039972973,1.262590524,0.888327318,1.477069947,0,0,0,0.532603912,0.514762337,1.243190562,2.638465101,0.152908877,0,0,0,1.567567372,1.115841666,1.349931886,0.709774873,1.488000309,0,0,0,1.571413854,1.128827211,1.376535642,0.68945191,1.465008044,0,0,0,0.612529002,0.547987685,1.201729263,2.585232701,0.200986079,0,0,0,31.34957175,15.79978587,23.26388749,31.53707175,3.942133968,15.79978632,0.25,1.11E-16,1.39E-17,-29.38944046,3000010.529,375001.3161,11.93130108,31.35128536,15.80027547,23.26437709,31.53823455,3.942279319,15.80027591,0.249265579,7.77E-16,9.71E-17,-27.83271234,3000010.529,375001.3161,11.93130108,32.88990299,16.24545425,23.70955587,32.59065713,4.073832141,16.24545451,-0.398994478,2.78E-16,3.47E-17,-28.65640787,3000010.529,375001.3161,11.93130108,31.35308389,15.80078935,23.26489096,31.53945499,3.942431874,15.80078979,0.2484948,8.88E-16,1.11E-16,-27.72588722,3000010.529,375001.3161,11.93130108,34.55936291,16.73853432,24.20263594,33.74764222,4.218455277,16.73853447,-1.082294264,4.44E-16,5.55E-17,-28.28040497,3000010.529,375001.3161,11.93130108,31.52931186,15.85122303,23.31532464,31.6591625,3.957395313,15.85122344,0.173134186,3.89E-16,4.86E-17,-28.38723008,3000010.529,375001.3161,11.93130108,39.41744517,19.73758755,29.78619567,39.67969007,4.959961258,19.73758756,0.524489796,1.11E-16,1.39E-17,-29.38944046,3000010.257,375001.2821,11.93130101,0,11.89,15.99491639,-0.298617594,0.13774251,4.743995418,7.809320895,7,21,20,20,6,1,1,0,0,1,16.262898,3.629454125,3.112599877,2.533732576,2.333552793,2.333552793,1.201591136,1.162837791,0.083923071,1.888463753,1.667247237,1.249629723,1.249629723,0.871952222,0.440344289,0.104486748,0.083923071,3.594744638,3.150713835,2.405454588,2.405454588,2.391189928,1.269690916,1.146155809,0.270913902,1.860582124,1.58857667,1.134540686,1.134540686,0.903043083,0.290000277,0.111838259,0.270913902,3.718807297,3.318028628,2.704236987,2.704236987,2.695862218,1.702702127,1.631650732,0.943918427,1.694972139,1.351217995,0.76031856,0.76031856,0.5649586,0.218324093,0.432110128,0.943918427,3.595503091,3.178805544,2.457539916,2.457539916,2.365706617,1.346550641,1.160732497,0.399277246,1.845727081,1.537907807,1.058262671,1.058262671,0.922689895,0.188893887,0.074731216,0.399277246,3.749922829,3.398793114,2.838982085,2.838982085,2.72763446,1.891182114,1.765166809,1.207644823,1.66093799,1.275766962,0.631337262,0.631337262,0.520658754,0.40108138,0.563548365,1.207644823,4.7120482,3.311317527,3.222481501,2.606496142,2.606496142,1.726993577,1.388011031,0.567567568,1.769119892,1.477602749,0.903793439,0.903793439,0.512295614,0.105862756,0.477002149,0.567567568,0,0,0,1,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,0.859116756,0,0.384900179,0,0.645391651,0,0.136082763,0,1.821367205,1.539600718,0.962250449,0.841201121,0.938832194,0.438832194,6.732050808,3.553418013,3.347150628,2.103133692,0.769800359,0,0,0,0.841506351,0.507631145,0.371905625,0.262891712,0.19245009,0,0,0,6.062948829,3.090875491,2.711770004,1.138071187,0.666666667,0,0,0,0.757868604,0.441553642,0.301307778,0.142258898,0.166666667,0,0,0,11.50759373,21.54552076,20.42745098,20.72,13.07012096,169.3523066,0.523072442,0.979341853,0.928520499,0.941818182,0.594096407,7.697832118,1.8675,34.683,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,43,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,2,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,2,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84259259,0.351851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.026388889,0.802777778,0,0,0,0,0,0,0,0,0,0,7.731481481,0,0,0,0,0,0.407407407,0,0,0.351851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84259259,0.351851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305902778,0.401388889,0,0,0,0,0,0,0,0,0,0,1.93287037,0,0,0,0,0,0.203703704,0,0,0.351851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84259259,0.351851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,1.93287037,0,0,0,0,0,0.203703704,0,0,0.351851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.84259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.33333333,2.416666667,0.409722222,10.84259259,0.263888889,0.203703704,3.463537037,1.314814815,3.842592593,7.685185185,1.314814815,3.842592593,7.685185185,3.83333,0.47917,0,0.02083,0.4803,0.79583,0.42308,0.4803,0.79583,0.05723,0,-0.05723,0,0.60209,0.1122,0,0.6087,0.3913,0,5.25,0.65625,3.75,0.46875,1.5,0.1875,-2.25,-0.28125,0,0,7.36964,0.9212,9.55523,2.1856,0.2732,2.91328,0.36416,3.5534,0.64012,0.08002,0.3606,0.04508,0.3606,0.04508,0,7.01,1,1,1,1,0,0,0.857142857,1.143320102,1.582023941,1.958542982,1.958542982,1.755841545,1.238646324,25.15304225,34.8045267,43.0879456,43.0879456,38.62851398,27.25021913,0.256382472,0.354759099,0.439191168,0.439191168,0.393736623,0.277758789,3.316111517,2.877407678,2.500888637,2.500888637,2.703590074,3.220785295,0.256382472,0.354759099,0.439191168,0.439191168,0.393736623,0.277758789,9.968326343,15.23277241,15.61223772,15.61223772,13.17982048,6.163702894,29.50877429,23.15322134,23.6965962,23.6965962,22.48038757,17.08485067,8,3.111111111,2.8125,8,1,5,2.12,1.1106,1.889881575,0,6.603854498,0,0,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.003,0.455,0.443,0.52,0.149,3.431,9,8,4,0,0,0,0,0,0,36,2.197224577,2.48490665,2.564949357,1.609437912,0,0,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,2,4,1,2.5,1.333333333,0.5,0,0,0,0,0,0,0,0.357142857,0.148148148,0.0625,0,0,0,0,0,0,0,0.567791005,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,8.33E-16,1.04E-16,-27.77751804,3000010.529,375001.3161,11.93130108,17.07,135.7821191,4,3.496507561,4.204692619,4.976733742,5.713732806,6.487684018,7.229113878,8.004031508,8.746239288,9.521421538,73.38015696,2.708050201,0,3.931825633,0,5.332718793,0,6.801283034,0,8.297792626,8.554681636,114.1044651,5.186566594,14.33508904,1.79188613,2.406694893,2.406694893,0,65,8,1.277,32,1.233333333,2.12644595,2.930455297,3.55850591,4.383318477,5.013506067,0,0,0,0,82.62061363,100.5235755,111.999976,77.38703648,39.08713088,5.094043029,0,0,0,0,286.274389,357.837331,412.1731765,382.7406147,397.4686875,155.8385413,0,0,0,0,9.129617831,15.45518486,21.75163435,26.84860625,30.6956298,33.68306003,0,0,0,0,2.113145198,2.767802116,3.279022434,3.235517791,4.037719378,2.229069496,0,0,0,0,177.4424221,331.7580809,466.6291139,601.2046047,711.2679421,927.0857704,0,0,0,0,3.177396825,4.684925862,8.733800724,9.931679622,7.505969621,5.013506067,0,0,0,0,0.449709286,0.606318464,0.759887264,0.763780758,0.878528609,0.513383021,0,0,0,0,355.5454616,185.5738217,8.658912586,120.8340883,-63.06828797,-16.39126803,234.7113733,248.6421097,25.05018061,0.746349128,0.389550353,0.018176499,0.253650872,-0.132390838,-0.034408001,169.374587,88.40357366,4.12492888,57.5628886,-30.04444264,-7.808464884,0.263764664,0.572085324,0.447932322,22.727815,436.6515337,39.72801619,0.916604279,0.083395721,506.3771674,22.50282577,7.970606549,641.9956726,25.33763352,8.626686854,907.0552751,30.11735837,9.680057071,1.355712503,1.355712503,418.889264,347.1166623,165.1969481,1.206767953,2.535696142,2.101229268,3.986251514,3.222561645,6.375709831,0.978460161,3.917822784,5.778211376,6.366004739,11.46296751,7.128137677,8.633714945,6.747336255,9.202302243,3.60173904,5.376140809,1.086526992,0.399187458,1.78E-17,1.64E-55,3.07E-115,1.15E-196,8.51E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,0.345289482,5.778030905,0.36253308,7.478337454,1.881248453,1.921248578,0.535491702,1.287192243,0.399221762,0.219995297,0.007652502,0.00281151,1.26E-19,1.16E-57,2.16E-117,8.10E-199,6.00E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,1.067258616,5.777925597,1.009365533,7.890829442,2.300298651,2.254409259,1.270736656,2.50794518,0.802405018,0.862507306,0.079744943,0.029298101,1.31E-18,1.21E-56,2.26E-116,8.44E-198,6.25E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,3.70321596,5.778250059,6.430116189,11.44458557,6.881273871,8.903708181,6.369941263,8.588436718,3.317057976,4.915452455,0.968075991,0.355668838,1.59E-17,1.46E-55,2.74E-115,1.03E-196,7.58E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,1.565367409,5.777900666,1.463859685,8.311942489,2.704216558,2.6807737,1.885121254,3.460570264,1.1535619,1.42529941,0.173216664,0.06363939,2.85E-18,2.62E-56,4.90E-116,1.83E-197,1.36E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,4.731361413,5.778365617,8.880928319,12.57492418,9.511782608,11.40677953,9.116395247,11.67493531,4.7564122,7.246536301,1.584597493,0.582177391,2.60E-17,2.40E-55,4.48E-115,1.68E-196,1.24E-299,0,0,0,0,0,0,0,0,0,0,0,0,0,2.445479817,4.680018032,5.856886947,11.95720215,4.993846791,10.88927957,3.651610401,4.712659642,1.896079701,2.494973409,0.350006154,0.128591431,5.75E-18,5.29E-56,9.90E-116,3.71E-197,2.74E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,3.870060146,1.311878374,0.923395089,0.633881847,0.214874151,0.607336207,0.463866961,0.473706442,6.10533361,9.862024794,20.65547979,0.450822771,1.54490961,2.632773109,1.109764802,0.409340074,0.634116204,0.267292248,0.280836839,0.33194163,0.09314276,4.151877984,4.453729672,9.801600672,0.451174307,0.70592123,3.24126412,1.071532106,0.629525321,0.655818139,0.216807445,0.425803296,0.309467559,0.220273026,4.942321547,6.188132997,13.31687063,0.483727209,0.95554388,3.780893008,1.338834403,0.896212682,0.628479165,0.222547828,0.579661373,0.483124832,0.446236965,6.015940094,9.650354271,20.20291367,0.442718748,1.509023169,3.49821373,1.088487692,0.730340388,0.657924811,0.204716783,0.496064456,0.319339396,0.296442581,5.317041809,7.157615884,15.2556205,0.486887217,1.111846433,3.932370537,1.354724209,0.957022812,0.629772021,0.216960074,0.62708767,0.494661581,0.508797924,6.244117559,10.38714785,21.72959157,0.444658032,1.630547175,3.783274385,1.345865426,0.896571964,0.627855186,0.223353767,0.580424399,0.488212452,0.446562518,6.025711775,9.690421147,20.2812785,0.441782778,1.51519937 +UMLYSI0235,L,n-octane,CCCCCCCC,linear alkanes,C8H18,111-65-9,356,PubChem,,42.6,0,-1.6254,2.64192516,29.267,26.082274,0,0,26,8,18,0,8,0,0,0,0,0,0,0,0,0,1172.40212,1227.776431,1240.990134,1068.618941,871.862212,675.105483,478.348754,281.592025,84.835296,3947.642614,5029.877407,6356.204835,6095.416356,5088.618011,4081.819666,3075.021321,2068.222976,1061.424631,181.25648,180.900988,339.393624,437.75186,374.86696,311.98206,249.09716,186.21226,123.32736,30.31423229,39.56609758,55.47508416,57.12426502,48.10273616,39.0812073,30.05967844,21.03814958,12.01662072,4342.872585,3643.766351,7573.454392,10532.52289,9053.567731,7574.612576,6095.657421,4616.702266,3137.747111,39.5,47.25,74,85.75,73.5,61.25,49,37,24,45.09238923,49.11105724,25.85396112,16.96220541,16.14559652,15.00234407,13.28746539,10.42933426,4.713072,151.8324082,201.1950963,132.4209341,96.75264057,94.23366687,90.70710369,85.41725893,76.60085098,58.96803508,6.971403077,7.23603952,7.0707005,6.948442222,6.941980741,6.932934667,6.919365556,6.89675037,6.85152,1.165932011,1.582643903,1.15573092,0.906734365,0.89079141,0.868471273,0.834991068,0.779190725,0.66759004,167.033561,145.7506541,157.7802998,167.1829029,167.6586617,168.3247239,169.3238172,170.9889728,174.3192839,1.519230769,1.89,1.541666667,1.361111111,1.361111111,1.361111111,1.361111111,1.37037037,1.333333333,0.037346791,-0.004413885,-0.01694509,-9.90E-05,-1.31E-06,1.32E-05,4.11E-05,-2.27E-04,-0.001768116,670.5194345,-58.02572029,-287.9795007,-13.61097143,-14.32733834,-15.04370526,-15.76007218,-16.47643909,-17.19280601,1246.859521,-107.9013047,-535.5101787,-25.31018258,-26.64229745,-27.97441232,-29.30652719,-30.63864207,-31.97075694,0.131350154,-0.01136684,-0.056413207,-0.002666296,-0.002806627,-0.002946959,-0.00308729,-0.003227621,-0.003367953,5.574042193,-0.482369036,-2.39397966,-0.113148292,-0.119103466,-0.125058639,-0.131013812,-0.136968986,-0.142924159,30.27828566,-2.620236259,-13.00413551,-0.61462332,-0.646971916,-0.679320512,-0.711669107,-0.744017703,-0.776366299,2.538461538,-0.671597633,-0.840236686,0.041420118,0.035502959,0.029585799,0.023668639,0.267751479,-0.48816568,0.001436415,-1.77E-04,-3.53E-04,-1.57E-06,-2.42E-08,2.93E-07,1.14E-06,-8.41E-06,-9.82E-05,25.78920902,-2.321028812,-5.999572931,-0.216047165,-0.26532108,-0.334304561,-0.437779783,-0.610238485,-0.95515589,47.95613541,-4.316052187,-11.15646206,-0.40174893,-0.493375879,-0.621653607,-0.8140702,-1.134764521,-1.776153163,0.005051929,-4.55E-04,-0.001175275,-4.23E-05,-5.20E-05,-6.55E-05,-8.58E-05,-1.20E-04,-1.87E-04,0.214386238,-0.019294761,-0.049874576,-0.001796005,-0.00220562,-0.002779081,-0.003639273,-0.005072925,-0.007940231,1.164549448,-0.10480945,-0.27091949,-0.009755926,-0.011980961,-0.015096011,-0.019768586,-0.027556211,-0.043131461,0.097633136,-0.026863905,-0.017504931,6.57E-04,6.57E-04,6.57E-04,6.57E-04,0.009916721,-0.027120316,-0.122913904,-0.245766508,-0.001094532,-1.69E-05,2.04E-04,7.95E-04,-0.005856354,-0.068384607,-0.09,-0.232638889,-0.008377425,-0.010288066,-0.012962963,-0.016975309,-0.023662551,-0.037037037,-0.09,-0.232638889,-0.008377425,-0.010288066,-0.012962963,-0.016975309,-0.023662551,-0.037037037,-0.09,-0.232638889,-0.008377425,-0.010288066,-0.012962963,-0.016975309,-0.023662551,-0.037037037,-0.09,-0.232638889,-0.008377425,-0.010288066,-0.012962963,-0.016975309,-0.023662551,-0.037037037,-0.09,-0.232638889,-0.008377425,-0.010288066,-0.012962963,-0.016975309,-0.023662551,-0.037037037,-0.275151515,-0.179292929,0.006734007,0.006734007,0.006734007,0.006734007,0.101571268,-0.277777778,1.657866657,1.381396894,0.907262173,0.901794991,0.89533673,0.885360544,0.874283847,0.867946665,1.625,1.410590278,0.93143739,0.919495885,0.902777778,0.877700617,0.83590535,0.752314815,1.625,1.410590278,0.93143739,0.919495885,0.902777778,0.877700617,0.83590535,0.752314815,1.625,1.410590278,0.93143739,0.919495885,0.902777778,0.877700617,0.83590535,0.752314815,1.625,1.410590278,0.93143739,0.919495885,0.902777778,0.877700617,0.83590535,0.752314815,1.625,1.410590278,0.93143739,0.919495885,0.902777778,0.877700617,0.83590535,0.752314815,1.871212121,1.128472222,0.781625782,0.820707071,0.875420875,0.957491582,1.00308642,1.641414141,43.67270669,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,-1.07E-14,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,43.67270669,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,-1.07E-14,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,43.67270669,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,-1.07E-14,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,43.67270669,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,-1.07E-14,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,43.67270669,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,-1.07E-14,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,43.67270669,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,-1.07E-14,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,48.99302775,24.43401388,39.53586775,48.89927775,6.112409719,24.43401388,-0.125,5.00E-16,6.25E-17,-28.18617854,31.8581333,3.982266663,2.76903417,0,11.89,12.11011416,-0.170505151,0.049820989,5.097566341,7.171461662,7,25,25,25,7,0,0,0,0,0,19.677726,3.485937838,3.235586487,2.855831106,2.400922336,1.940693832,1.546555204,1.265882545,1.106895864,1.916494584,1.754106844,1.506678791,1.216946946,0.942345939,0.728624043,0.588748295,0.512975205,3.515563671,3.271612095,2.902278609,2.461601951,2.01901354,1.644195306,1.380586146,1.232621285,1.854607938,1.680754733,1.417602055,1.110021215,0.817191576,0.587730533,0.43697346,0.355279877,3.64479296,3.428603711,3.103252631,2.72046252,2.346336964,2.041896453,1.836050213,1.723279051,1.670384861,1.459593071,1.142520707,0.770193962,0.407871307,0.11485492,0.082208846,0.189882893,3.537333936,3.298089533,2.936362111,2.505957839,2.075909855,1.714527311,1.462464617,1.321786577,1.815011076,1.63355226,1.359701253,1.039726079,0.734025883,0.493235811,0.334514067,0.248447387,3.707105189,3.503964233,3.198458435,2.840513132,2.494137722,2.216249519,2.030586675,1.929442389,1.612212042,1.389087137,1.052959555,0.656337899,0.266343866,0.053772993,0.271925482,0.391943313,3.541257081,3.361098061,3.038702609,2.616923633,2.184053141,1.82736658,1.587628461,1.457664888,1.792802372,1.559044307,1.23872282,0.899711292,0.591517704,0.345972069,0.178471805,0.085375161,0,0,0,0,0,2,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,12.87645023,24.99053168,23.52941176,23.84,15.18699042,200.5116012,0.495248086,0.961174295,0.904977376,0.916923077,0.584115016,7.711984661,3.3668,39.05,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.6,0,0,0,0,0,0,0,0,0,0,0,4.511797052,0,8.488202948,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.255898526,0,1.364795918,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.255898526,0,1.44875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13,1.625,0.2,2.255898526,0.2,1.364795918,6.040410147,0.135204082,0.255898526,1.023594104,0.135204082,0.255898526,1.023594104,4,0.5,0,0,0.42308,0.7,0.42308,0.42308,0.7,0,0,0,0,0.71429,0,0,0.25,0,0,3.5,0.4375,3.5,0.4375,0,0,-3.5,-0.4375,0,0,7.95768,0.99471,7.95768,0,0,3.91421,0.48928,3.91421,0,0,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7,0,0,0,0,0,0,1,0.89049164,1.140115679,1.987773371,2.411602218,2.133937566,1.669180337,23.15278265,29.64300764,51.68210766,62.70165767,55.48237672,43.39868876,0.189448582,0.242555111,0.42289094,0.513058855,0.453986796,0.355111529,3.809948078,3.56032404,2.712666347,2.2888375,2.566502152,3.031259381,0.191756937,0.245510548,0.428043697,0.519310271,0.459518443,0.359438421,6.648700044,9.644188504,12.82787956,13.25502488,10.64578708,10.17739311,31.72521615,27.60155386,25.90958533,25.57906449,29.61611021,29.38481876,8,7,7.2,8,0,8,2.34,1.2358,0.142857143,4.008290259,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,3.766,6,5,4,3,2,1,0,0,0,36,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,3.610917913,1,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.714285714,7,1,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,0,146.9243357,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,114.1408506,4.390032714,14.83110795,1.853888494,0,0,0,84,5,4.892,26,1.2278,2.118286851,2.846540018,3.579728187,4.913401903,5.916726806,7.223057649,8.284152283,9.473632882,0,71.2221278,61.6758531,59.17744111,75.27090465,87.95340148,93.65392553,85.40399457,42.1014707,9.625817321,0,272.5498825,300.9096552,303.7243621,398.0678624,490.4347284,559.7661898,590.3808493,511.5622927,294.4759833,0,8.919363223,15.02671279,19.83189814,25.03172117,34.182178,41.10932758,49.93323297,56.86908096,63.64826147,0,2.081648384,2.574742546,2.745336147,3.592487252,4.552734635,5.307122057,5.879857653,5.714834053,4.212099435,0,176.77647,330.664682,472.2565774,586.4896646,818.3270884,988.9860265,1226.111077,1435.321958,1751.841949,0,2.38647,3.350630527,3.977551467,5.181400591,6.909107032,8.379154886,10.18067427,11.32122458,9.473632882,0,0.4321989,0.545929723,0.589138013,0.769999384,0.981007139,1.147255765,1.281364282,1.266198343,0.970100007,0,432.4639216,196.02773,10.67389428,160.1679819,-72.60112192,-9.589930481,272.2959397,268.6288519,20.26382476,0.729734459,0.330774852,0.018011002,0.270265541,-0.122506267,-0.016181934,256.2919171,116.1722867,6.325690285,94.92065598,-43.02574108,-5.683298755,0.058239052,0.14376481,1.046154106,9.548794241,592.6319035,0,1,0,434.570984,20.84636621,7.574493115,608.9376335,24.67666172,8.475999811,664.5605004,25.77907098,8.726595414,3.065900804,3.065900804,1002.657107,979.8325035,49.54169888,1.023294393,20.23865006,19.77793507,4.483445295,5.645455692,10.06558281,0.782953115,5.020209962,6.639701282,2.706414529,25.90029466,11.46682295,0.143530095,4.36155943,8.75531817,12.85718258,1.209762124,2.189522491,12.11021002,4.449840321,5.026730647,2.706479734,1.089056456,0.142773617,0.63522528,2.008139858,1.27E-08,2.41E-38,8.76E-90,6.16E-163,8.34E-258,0,0,0,0,0,0,0.421311435,6.639327077,0.185246332,6.122431549,0.083959212,0.001210294,0.645528531,0.336002271,4.164392403,0.045590392,0.018682648,0.653630438,0.149674044,1.99652951,0.114384014,0.060782495,0.002820634,0.053296814,0.014143493,8.97E-11,1.69E-40,6.17E-92,4.34E-165,5.88E-260,0,0,0,0,0,0,1.360044669,6.639352791,0.625596488,7.577619183,0.84981477,0.010920602,1.403980412,1.347417809,5.335012957,0.184029537,0.167099403,2.311384526,0.630614633,2.614936034,0.443541096,0.213073955,0.012173464,0.172057337,0.147386104,9.35E-10,1.77E-39,6.43E-91,4.52E-164,6.12E-259,0,0,0,0,0,0,4.738668689,6.639660448,2.52579473,23.77611882,10.21893443,0.127975457,4.134042183,7.989728737,12.11142476,1.103401123,1.952370863,11.1680097,4.046207212,4.841180699,2.477059604,1.005728872,0.127408321,0.599591729,1.78921646,1.13E-08,2.14E-38,7.81E-90,5.49E-163,7.43E-258,0,0,0,0,0,0,2.004455605,6.639385487,0.94993656,9.343178205,1.838043075,0.023328928,1.924654412,2.251689252,6.317877075,0.308516162,0.35648477,3.651517832,1.078587865,3.039488989,0.728864898,0.33472025,0.024299088,0.253589686,0.320142313,2.03E-09,3.84E-39,1.40E-90,9.82E-164,1.33E-258,0,0,0,0,0,0,6.062630571,6.639872823,3.405002418,34.80224657,16.71285444,0.208890405,5.203981203,11.87399476,15.86090516,1.643412507,3.185961232,15.87220571,6.103703006,5.713787642,3.636232232,1.420717986,0.207382411,0.767169714,2.928683254,1.86E-08,3.51E-38,1.28E-89,8.98E-163,1.22E-257,0,0,0,0,0,0,3.168574335,6.196098388,1.48354585,13.36580555,4.350727986,0.05470155,2.7376358,3.991295966,8.353417966,0.549435057,0.835029571,6.616153925,1.976592231,4.457739974,1.259709483,0.666389512,0.056146926,0.481052142,0.760478999,4.82E-09,9.11E-39,3.32E-90,2.33E-163,3.16E-258,0,0,0,0,0,0,9.608306102,0.762955714,0.509801088,0.883030103,0.070117756,0.55831779,0.596539506,0.615366699,10.8810629,12.6179926,27.23626048,0.824545155,1.770223995,8.467167816,0.316921301,0.116962558,0.951254765,0.035604928,0.433871607,0.10272089,0.032391137,8.901051675,3.710835371,12.9257474,0.926882147,0.568983634,8.937358235,0.500899559,0.278874782,0.919752629,0.051548083,0.483238747,0.256960283,0.184141197,9.717132576,7.108810883,18.07438744,0.879628944,0.924340227,9.581707056,0.752576578,0.500648679,0.884334741,0.069458355,0.555237576,0.580419943,0.593469799,10.83493231,12.38481376,26.82990783,0.826502111,1.729127318,9.139551237,0.579927298,0.34847927,0.907786009,0.057601284,0.505290346,0.344557339,0.287532122,10.0679578,8.687312036,20.60230589,0.861679014,1.137379807,9.691072678,0.795246905,0.538278849,0.879040877,0.072133866,0.567957131,0.648093972,0.686036313,11.02459843,13.3513596,28.52436307,0.818561316,1.902087416,9.619148855,0.753721658,0.502000001,0.884529967,0.069308564,0.559569376,0.582184488,0.59667784,10.87487051,12.45734183,26.97179309,0.82679495,1.738431705 +UMLYSI0236,L,1-hexene,CCCCC=C,alkenes,C6H12,592-41-6,11597,PubChem,,42.4,0,0.4384,0.19219456,26.3209,18.561516,0,0,18,6,12,0,6,0,0,0,0,0,0,0,0,0,877.777494,866.605661,814.203604,644.794923,450.070322,253.313593,67.647888,6.096384,0,2914.106344,3494.423905,4091.649529,3665.843967,2721.213111,1714.414766,791.2692929,186.5024666,0,125.864664,123.114164,212.42632,257.436012,207.98804,145.10314,82.617408,40.310784,0,22.06875486,27.30703172,35.42523222,34.18644125,26.0541382,17.03260934,8.680011884,2.667677429,0,2979.777961,2471.442353,4710.929395,6158.861568,5049.741717,3570.786562,2060.036303,1109.505912,0,35.75,39.5,52.75,57.5,47.5,35,20,6,0,48.76541633,50.97680359,27.14012013,17.42688981,15.00234407,12.06255205,5.637324,1.016064,0,161.8947969,205.5543474,136.3883176,99.07686397,90.70710369,81.63879838,65.93910774,31.08374443,0,6.992481333,7.242009647,7.080877333,6.957730054,6.932934667,6.909673333,6.884784,6.718464,0,1.226041937,1.606295984,1.180841074,0.923957872,0.868471273,0.811076635,0.723334324,0.444612905,0,165.54322,145.3789619,157.0309798,166.4557181,168.3247239,170.0374553,171.6696919,184.917652,0,1.986111111,2.323529412,1.758333333,1.554054054,1.583333333,1.666666667,1.666666667,1,0,0.045054579,-0.007629605,-0.020787935,0.001772882,0.002983004,-0.001672888,-0.004523679,0.00733093,0,484.264036,-53.80711511,-201.7766817,-26.90355756,-2.45E-13,-1.88E-13,-40.35533633,80.71067267,0,900.5096538,-100.0566282,-375.2123557,-50.0283141,-1.49E-13,-9.24E-14,-75.04247115,150.0849423,0,0.094864,-0.010540444,-0.039526667,-0.005270222,-4.52E-16,-4.59E-16,-0.007905333,0.015810667,0,4.025697139,-0.447299682,-1.677373808,-0.223649841,-1.11E-15,-1.11E-15,-0.335474762,0.670949523,0,21.86765075,-2.429738973,-9.111521147,-1.214869486,-2.40E-14,-2.49E-14,-1.822304229,3.644608459,0,5.069444444,-0.718364198,-1.212962963,-0.198302469,0.064814815,0.293981481,-1.324074074,0.560185185,0,0.002503032,-4.49E-04,-6.93E-04,4.79E-05,9.94E-05,-7.97E-05,-3.77E-04,0.001221822,0,26.90355756,-3.165124418,-6.725889389,-0.727123177,-8.17E-15,-8.97E-15,-3.362944694,13.45177878,0,50.0283141,-5.885684011,-12.50707852,-1.352116597,-4.97E-15,-4.40E-15,-6.253539262,25.01415705,0,0.005270222,-6.20E-04,-0.001317556,-1.42E-04,-1.51E-17,-2.18E-17,-6.59E-04,0.002635111,0,0.223649841,-0.026311746,-0.05591246,-0.00604459,-3.70E-17,-5.29E-17,-0.02795623,0.111824921,0,1.214869486,-0.142925822,-0.303717372,-0.03283431,-7.99E-16,-1.18E-15,-0.151858686,0.607434743,0,0.281635802,-0.042256718,-0.040432099,-0.005359526,0.002160494,0.013999118,-0.110339506,0.093364198,0,-0.179302651,-0.276836696,0.019143074,0.039725209,-0.031825925,-0.150606618,0.488136632,0,-0.117647059,-0.25,-0.027027027,-3.04E-16,-3.33E-16,-0.125,0.5,0,-0.117647059,-0.25,-0.027027027,-9.94E-17,-8.79E-17,-0.125,0.5,0,-0.117647059,-0.25,-0.027027027,-2.86E-15,-4.15E-15,-0.125,0.5,0,-0.117647059,-0.25,-0.027027027,-1.65E-16,-2.36E-16,-0.125,0.5,0,-0.117647059,-0.25,-0.027027027,-6.58E-16,-9.75E-16,-0.125,0.5,0,-0.15004029,-0.143561644,-0.019029989,0.007671233,0.049706458,-0.391780822,0.331506849,0,1.455868032,1.214631295,0.775218228,0.819205292,1.052855322,1.284161349,0.172028906,0,1.5,1.345833333,0.918918919,0.85,0.80952381,0.885416667,0,0,1.5,1.345833333,0.918918919,0.85,0.80952381,0.885416667,0,0,1.5,1.345833333,0.918918919,0.85,0.80952381,0.885416667,0,0,1.5,1.345833333,0.918918919,0.85,0.80952381,0.885416667,0,0,1.5,1.345833333,0.918918919,0.85,0.80952381,0.885416667,0,0,1.479452055,0.880273973,0.781710478,0.880273973,1.077886497,1.956164384,0,0,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,22.35825,11.179125,18.37565112,22.35825,3.726375,11.17916351,7.11E-15,0.077718639,0.012953106,-1.532796101,18.77102936,3.128504893,1.759388814,31.27682875,15.44396993,25.9887257,31.01756949,5.169594915,15.44397043,-0.388888889,0.124574688,0.020762448,-1.249709906,18.41195241,3.068658735,1.747800025,0,11.79,12.21003864,-0.306948088,0.113259644,5.043588996,6.867641906,5,17,16,16,4,1,1,0,0,1,13.118484,3.458920783,3.081433849,2.474593995,1.798301595,1.270833524,0.912162299,0.083923071,0.083923071,1.871067874,1.601124015,1.234242683,0.85315218,0.583297216,0.349823653,0.083923071,0.083923071,3.486242029,3.116946261,2.529913706,1.881474931,1.383461819,1.040132512,0.270913902,0.270913902,1.810042582,1.526761479,1.132871809,0.722633833,0.431818797,0.188559346,0.270913902,0.270913902,3.607337672,3.272942385,2.768036719,2.228163834,1.833651535,1.54162827,0.943918427,0.943918427,1.63167727,1.303946671,0.814188514,0.293094176,0.085189605,0.369467173,0.943918427,0.943918427,3.506424851,3.143118662,2.570467833,1.941863518,1.464075869,1.131075451,0.399277246,0.399277246,1.771268192,1.479012186,1.066499307,0.635696325,0.329627854,0.079258848,0.399277246,0.399277246,3.6667978,3.348444081,2.879665477,2.383968123,2.026932228,1.752709359,1.207644823,1.207644823,1.576518823,1.233500967,0.70872011,0.14362648,0.273414305,0.576303946,1.207644823,1.207644823,3.56331855,3.201166553,2.622093931,1.974529291,1.501563956,1.238745386,0.52173913,0.52173913,1.825286888,1.397650368,0.953927062,0.566776652,0.26877056,0.041428646,0.52173913,0.52173913,0,0,1,1,0,1,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.405777394,2.523603362,1.43090366,0.761801681,0.348461713,0.144337567,0,0,0.734296232,0.504720672,0.357725915,0.253933894,0.174230856,0.144337567,0,0,9.250966823,17.32702112,16.35294118,16.56,10.79132695,138.1695305,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,2.28879,29.452,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,4,1,0,2,0,0,0,0,0,0,0,0,1,1,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.56,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.389652778,0.334097222,0,0,0.97625,0.290277778,0,0.72375,0,0,0,0,0,0,0,0,2.184027778,3.598194444,3.755972222,0,1.961805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.961805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.389652778,0.334097222,0,0,0.216944444,0.290277778,0,0.334097222,0,0,0,0,0,0,0,0,2.184027778,3.598194444,1.177083333,0,1.961805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.598194444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.389652778,0.334097222,0,0,0.290277778,0.290277778,0,0.389652778,0,0,0,0,0,0,0,0,2.184027778,3.598194444,1.295138889,0,1.961805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.5,1.916666667,0.389652778,3.598194444,0.216944444,1.177083333,4.44741,0.322916667,0.598194444,1.564444444,0.322916667,0.598194444,1.564444444,3,0.5,0,0,0.43333,0.7,0.42,0.42,0.7,0.01333,0.01333,0,0,0.71429,0,0,0.33333,0,0,3.5,0.58333,2.5,0.41667,1,0.16667,-1.5,-0.25,0,0,4.16595,0.69433,5.31294,1.14699,0.19117,2.34933,0.39156,2.91421,0.56488,0.09415,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,0.666666667,0.918295834,2.209690973,3.239097918,3.350209029,3.46132014,2.99799514,16.52932501,39.77443751,58.30376252,60.30376252,62.30376252,53.96391252,0.220218789,0.529911443,0.776776061,0.803421891,0.83006772,0.718956609,3.251629167,1.960234029,0.930827083,0.819715972,0.708604861,1.171929861,0.220218789,0.529911443,0.776776061,0.803421891,0.83006772,0.718956609,6.73287657,16.28447751,18.54329237,17.43392015,18.76725349,13.20735349,23.69925001,15.57894792,13.20167153,14.12832153,12.68170487,9.901754865,6,5,5.333333333,6,2,6,2.12,0.911,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.108,0.1,0.167,0.167,2.661,4,3,2,1,0,0,0,0,0,21,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,0,3.295836866,1.238095238,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.6,4,0.8,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,109.6959078,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,84.09390038,4.671883355,10.83915043,1.806525072,0,0,0,35,3,3.388,18,1.219,2.124655496,2.87026109,3.599440952,4.930369098,5.978086629,7.169405074,0,0,0,72.30904117,64.6414684,60.43324486,69.47631059,69.63408749,36.88897661,7.284574397,0,0,0,274.3286679,309.9824628,311.5229656,381.2510511,437.4092892,418.2391145,222.851955,0,0,0,8.860546952,15.09132023,20.02155858,25.12134335,34.17003774,41.27259223,48.16738989,0,0,0,2.086978642,2.633030145,2.809776862,3.492366966,4.229824878,4.516466754,3.187610016,0,0,0,175.1912326,330.2480674,474.2540474,593.2629008,830.6054913,1017.115495,1325.749553,0,0,0,2.908147059,3.848892297,4.616597368,6.181134853,8.642988481,10.40297177,7.169405074,0,0,0,0.432999265,0.557556943,0.602581451,0.750469978,0.917494976,0.994458414,0.73414708,0,0,0,354.9261424,141.8046153,11.60283628,172.2757127,-68.82978805,-11.96992996,182.6504297,210.6344033,23.57276624,0.673226278,0.268975941,0.022008337,0.326773722,-0.130556802,-0.022704643,187.1177207,74.75965623,6.117036813,90.82407533,-36.28719195,-6.310569281,0.141740147,0.256876213,2.925498362,6.672767062,527.2018551,0,1,0,331.0578085,18.19499405,6.917799096,447.9391783,21.16457366,7.651378443,470.406918,21.68886622,7.777223265,2.274474557,2.274474557,418.6850913,400.7989294,31.24470959,1.044626271,13.40019148,12.82773739,3.603042686,4.466158665,7.71775273,0.728051623,3.591793317,3.914879446,2.830842966,12.94577407,6.43685253,1.02735528,4.032441475,9.057111411,3.896184515,0.529466082,1.534601771,1.598253814,1.550431541,0.017449186,6.94E-04,5.32E-27,7.87E-72,2.25E-138,1.24E-226,0,0,0,0,0,0,0,0,0,0,0,0.301445031,3.914691945,0.184264475,3.920421939,0.048232772,0.084788813,0.413582797,0.242875725,1.712715599,0.036822613,0.100186293,0.085980945,0.074062434,1.23E-04,4.89E-06,3.75E-29,5.55E-74,1.58E-140,8.71E-229,0,0,0,0,0,0,0,0,0,0,0,0.973075264,3.914704874,0.629954714,4.640094862,0.479872777,0.267503382,1.143307203,1.124846654,2.071706289,0.123883519,0.317375688,0.309023168,0.276018499,0.001280673,5.09E-05,3.91E-28,5.78E-73,1.65E-139,9.07E-228,0,0,0,0,0,0,0,0,0,0,0,3.390360553,3.914859001,2.635378735,11.99611196,5.737114814,0.966226391,3.807727152,8.193034361,3.731841864,0.494531611,1.420041203,1.47537522,1.424884026,0.015546911,6.18E-04,4.74E-27,7.01E-72,2.00E-138,1.10E-226,0,0,0,0,0,0,0,0,0,0,0,1.434128364,3.914721275,0.963975853,5.467449117,1.035217733,0.395806391,1.646901076,2.002628451,2.343885722,0.187655976,0.488918203,0.487564408,0.444169621,0.002781791,1.11E-04,8.48E-28,1.26E-72,3.58E-139,1.97E-227,0,0,0,0,0,0,0,0,0,0,0,4.337608177,3.914965322,3.592530585,16.91286411,9.378093652,1.257577606,4.868057209,12.62481777,4.539497412,0.664234574,1.989136839,2.087619419,2.055204989,0.025447997,0.001011965,7.76E-27,1.15E-71,3.28E-138,1.80E-226,0,0,0,0,0,0,0,0,0,0,0,1.924005911,2.866946517,1.343660624,5.894278932,1.764854296,0.413376995,2.601724555,2.782704901,3.021492797,0.261302446,0.801108213,0.699301204,0.689686057,0.004749875,1.89E-04,1.45E-27,2.14E-72,6.12E-139,3.37E-227,0,0,0,0,0,0,0,0,0,0,0,5.449928347,0.787710856,0.368189675,0.825018094,0.119244817,0.517053894,0.554548115,0.444431505,6.605828877,6.589602072,14.77605734,0.73752714,1.516033514,4.731882475,0.292070363,0.079375888,0.927214908,0.057231344,0.389995847,0.076041412,0.020655648,5.103328726,1.780823348,6.993852935,0.890822362,0.486692906,5.016769728,0.489219939,0.194083349,0.880123766,0.08582696,0.43822327,0.213779667,0.123491818,5.700073016,3.522924699,9.699337214,0.820185648,0.775494755,5.432122407,0.775469341,0.361039459,0.826979356,0.118056459,0.513682047,0.537462632,0.427337463,6.568631207,6.45362995,14.5431198,0.740469034,1.478482142,5.143884527,0.576968795,0.245213186,0.862190276,0.096708408,0.460667106,0.297484712,0.197128432,5.966066509,4.370689531,11.06451466,0.793285413,0.955280251,5.505683066,0.826026695,0.390575091,0.819019602,0.122878859,0.527684987,0.609732648,0.500115958,6.722284852,7.020849302,15.51940764,0.728529403,1.637533592,5.475525829,0.773681135,0.360548002,0.828400728,0.117051409,0.521923309,0.53498316,0.426174847,6.609754966,6.489450124,14.62659857,0.742601093,1.483081316 +UMLYSI0237,L,2-methylhexane,CCCCC(C)C,linear alkanes,C7H16,591-76-4,11582,PubChem,,42.4,0,0.3038,0.09229444,30.4415,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1168.347606,938.408356,684.250059,478.348754,160.526016,18.289152,0,3461.958223,4376.887272,5667.785137,5590.535243,4361.573366,3075.021321,1843.095563,559.5073998,0,160.279036,159.125208,296.687832,377.261968,372.448236,249.09716,186.188544,120.932352,0,26.63610648,34.55010896,48.7938183,52.11632459,43.08272344,30.05967844,20.03172529,8.003032287,0,3846.242925,3210.7269,6654.719106,8862.797105,9238.871444,6095.657421,4611.235353,3328.517736,0,36.52777778,43.16666667,65.91666667,80.66666667,71.33333333,51,39,18,0,44.61329874,48.14991518,27.81780014,17.37793252,12.67129739,13.28746539,5.945408,1.016064,0,150.5199227,198.9494215,134.9472652,103.5284304,80.76987715,85.41725893,68.26279863,31.08374443,0,6.968653739,7.232964,7.063996,6.986332741,6.897189556,6.919365556,6.895872,6.718464,0,1.158091586,1.570459498,1.161757579,0.965117122,0.797828212,0.834991068,0.741915752,0.444612905,0,167.2279533,145.9421318,158.445693,164.1258723,171.0902119,169.3238172,170.7864946,184.917652,0,1.588164251,1.962121212,1.569444444,1.49382716,1.320987654,1.416666667,1.444444444,1,0,0.032479793,-0.005563372,-0.006666306,-0.01174386,0.005232375,0.001316487,-0.008367378,0.009552158,0,589.5388264,-58.58770946,-129.0760474,-236.6394202,84.44869059,-17.39322625,-139.3746682,201.8529677,0,1096.272622,-108.9463475,-240.0224219,-440.0411068,157.0359462,-32.34344692,-259.173147,375.354213,0,0.115486609,-0.01147693,-0.025285112,-0.046356038,0.016542919,-0.003407214,-0.027302541,0.039541611,0,4.900848691,-0.487040864,-1.073011903,-1.967188489,0.702023745,-0.144590256,-1.158624555,1.678007976,0,26.62148787,-2.645613702,-5.828617687,-10.68579909,3.813404125,-0.785416568,-6.29366697,9.114965957,0,2.845410628,-1.257929007,0.358380592,-1.202268431,0.355702583,0.857908003,-1.329395085,0.79489603,0,0.001412165,-2.53E-04,-1.59E-04,-2.17E-04,9.69E-05,3.66E-05,-3.10E-04,5.31E-04,0,25.63212289,-2.663077703,-3.073239224,-4.382211486,1.563864641,-0.483145173,-5.162024748,11.21405376,0,47.66402704,-4.952106706,-5.714819569,-8.148909385,2.908073078,-0.898429081,-9.599005446,20.85301183,0,0.005021157,-5.22E-04,-6.02E-04,-8.58E-04,3.06E-04,-9.46E-05,-0.001011205,0.002196756,0,0.213080378,-0.022138221,-0.025547902,-0.036429416,0.01300044,-0.004016396,-0.042912021,0.093222665,0,1.157455995,-0.120255168,-0.138776612,-0.197885168,0.070618595,-0.021817127,-0.233098777,0.506386998,0,0.123713506,-0.057178591,0.008532871,-0.02226423,0.006587085,0.023830778,-0.049236855,0.044160891,0,-0.179072957,-0.112395927,-0.154003888,0.068615104,0.025895756,-0.219452343,0.375788575,0,-0.103896104,-0.119897959,-0.170965608,0.061011905,-0.018849206,-0.201388889,0.4375,0,-0.103896104,-0.119897959,-0.170965608,0.061011905,-0.018849206,-0.201388889,0.4375,0,-0.103896104,-0.119897959,-0.170965608,0.061011905,-0.018849206,-0.201388889,0.4375,0,-0.103896104,-0.119897959,-0.170965608,0.061011905,-0.018849206,-0.201388889,0.4375,0,-0.103896104,-0.119897959,-0.170965608,0.061011905,-0.018849206,-0.201388889,0.4375,0,-0.462185522,0.068972835,-0.179966044,0.053244671,0.192628749,-0.397990945,0.356960951,0,1.717001922,1.200772292,1.165025936,0.738086643,0.868062476,1.139809105,1.93E-05,0,1.642857143,1.290816327,1.171296296,0.75297619,0.878472222,1.003968254,0,0,1.642857143,1.290816327,1.171296296,0.75297619,0.878472222,1.003968254,0,0,1.642857143,1.290816327,1.171296296,0.75297619,0.878472222,1.003968254,0,0,1.642857143,1.290816327,1.171296296,0.75297619,0.878472222,1.003968254,0,0,1.642857143,1.290816327,1.171296296,0.75297619,0.878472222,1.003968254,0,0,2.069609508,0.797720107,1.181239389,0.692039238,0.733800226,1.718166384,0,0,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,30.80953373,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,1.42E-14,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,37.67959716,18.74753667,30.09747105,37.54779444,5.363970634,18.74753669,-0.18452381,0.06039553,0.008627933,-1.964788125,26.33453469,3.762076384,2.289616829,0,11.89,12.11009426,-0.164721692,0.055970353,5.126994334,7.491492999,6,22,22,22,6,0,0,0,0,0,17.491312,3.497227179,3.142066486,2.53245952,2.333552793,1.841296227,1.29363444,0.968750627,0.083923071,1.915797261,1.693083946,1.307633915,1.249629723,0.884913646,0.591754776,0.37871251,0.083923071,3.525573413,3.18037295,2.589675666,2.405454588,1.924093632,1.404550849,1.094121287,0.270913902,1.854858694,1.615457648,1.20518793,1.134540686,0.756083105,0.441318657,0.219998352,0.270913902,3.650070152,3.347508359,2.834314736,2.704236987,2.267753967,1.848741653,1.585086196,0.943918427,1.674881991,1.380501006,0.881459793,0.76031856,0.331946346,0.071013279,0.327811355,0.943918427,3.546450579,3.208544763,2.631521609,2.457539916,1.984104616,1.483982621,1.183161214,0.399277246,1.815985774,1.565413162,1.137990084,1.058262671,0.670273055,0.339907473,0.11253238,0.399277246,3.710568778,3.427721511,2.948217832,2.838982085,2.421735294,2.03993089,1.791956841,1.207644823,1.618555556,1.305428883,0.773602861,0.631337262,0.184116439,0.257038413,0.530403117,1.207644823,3.536188267,3.268836324,2.720209556,2.644447344,2.064607439,1.576004797,1.279868996,0.591549296,1.813452291,1.490332163,1.022653816,0.869799456,0.554810153,0.213699945,0.015430171,0.591549296,0,0,0,0,0,3,3,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.204124145,0.288675135,0.204124145,0.204124145,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.8326,34.363,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,6.785416667,0,4.145185185,0,0,0,0.902731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.238472222,0,1.345416667,0,0,0,0.902731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.273472222,0,1.400462963,0,0,0,0.902731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.83333333,1.69047619,0.2,2.273472222,0.2,0.902731481,5.312940139,0.430601852,0.273472222,1.570833333,0.430601852,0.273472222,1.570833333,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.42857,0.14286,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,7.02591,1.0037,7.02591,0,0,3.27005,0.46715,3.27005,0,0,0.14395,0.02056,0.14395,0.02056,0,6,0,0,0,0,0,0,1,0.886540893,1.327484782,2.521861955,3.087929347,2.653146738,2.338066093,20.39044053,30.53214998,58.00282497,71.02237498,61.02237498,53.77552013,0.195982923,0.293460064,0.557494731,0.682632266,0.586517166,0.516863948,3.637021063,3.196077174,2.001700001,1.435632609,1.870415218,2.185495864,0.19880132,0.297680264,0.565511969,0.692449086,0.594951771,0.524296882,6.634953582,11.92628025,16.71908002,15.01711798,13.98386821,12.2100386,27.76507516,20.80617277,17.57522093,19.15547313,21.36755302,14.27981442,7,4.166666667,6,7,0,6,2.23,1.0949,0.814325285,3.639717277,1.889881575,0,2.381101578,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,3.039,6,4,3,2,0,0,0,0,0,28,1.945910149,1.945910149,1.609437912,1.386294361,1.098612289,0,0,0,0,0,3.36729583,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,6,1,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,0,129.6283511,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,100.1252005,4.353269587,12.67036528,1.810052182,0,0,0,52,4,4.262,24,1.224818182,2.11142556,2.86815028,3.505596004,4.583764,5.606109701,6.36847156,0,0,0,69.72220731,66.73106956,57.6696265,55.78784931,72.05834205,35.56890227,6.470774688,0,0,0,268.787596,308.3215324,318.4865441,321.2462047,431.4218165,399.5708236,197.9559424,0,0,0,8.893455721,14.97034384,20.0834547,24.28782137,31.83955585,38.73957148,42.78634691,0,0,0,2.059771149,2.597411395,2.89718899,3.046563606,4.095354512,4.294258938,2.83150464,0,0,0,176.6115071,330.5407757,467.50604,591.5953956,766.830421,951.0312158,1177.642808,0,0,0,2.460280303,3.429494663,4.380938342,4.833811803,6.78778652,8.299525207,6.36847156,0,0,0,0.427911136,0.549535126,0.621434888,0.659201804,0.88552205,0.944679607,0.652131488,0,0,0,384.7024194,152.1280071,9.347763553,164.1934093,-64.92918911,-9.846918524,220.5090101,217.0571963,19.19468208,0.700865992,0.277152784,0.017030123,0.299134008,-0.118290549,-0.017939503,211.1615533,83.50242855,5.130948422,90.12507744,-35.63936106,-5.404932503,0.074315115,0.164791783,1.269169969,10.94539636,548.8958287,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,586.8869359,24.22574944,8.372429143,1.797339331,1.797339331,521.6769573,474.2749264,81.91748164,1.099946315,6.368322693,5.789666831,4.136657849,4.466158665,7.63628977,0.709811572,4.462408855,5.691193727,2.603842297,19.56825101,7.346172766,3.228350449,4.423540967,11.38832605,4.946125219,2.93433145,3.453031965,0.410757472,1.952300582,1.267677768,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.374499053,5.690851943,0.162461632,6.332239363,0.551129504,0.090446133,0.438376387,0.515367778,2.050598107,0.100687104,0.074037153,0.010595825,0.130750194,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.208928595,5.690875412,0.561386015,7.766265761,1.01586179,0.410823543,1.07334767,1.913633129,2.476889913,0.420725185,0.380506359,0.037402441,0.443883397,0.093040376,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.212149946,5.691156425,2.419213533,18.30947248,6.603912652,2.922996768,4.116429695,10.43220018,4.71058109,2.66945533,3.110589162,0.366846939,1.820026094,1.129478069,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,1.781738316,5.690905269,0.864753012,9.127093947,1.608730229,0.725807525,1.562231669,3.1173111,2.81844267,0.71713644,0.704684404,0.072097838,0.676264037,0.202096129,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,5.389004952,5.691350436,3.327371478,24.73815598,10.46488572,4.487528447,5.632329175,15.25826066,5.884413982,4.018829111,4.874888024,0.595380333,2.465625438,1.848788887,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,2.765215168,4.923310403,1.242251115,11.81922431,2.938777342,1.431166547,2.274519741,5.246753633,3.591554248,1.292043517,1.433204595,0.152023546,1.215712266,0.443599203,1.26E-06,2.80E-33,1.20E-81,9.92E-152,1.58E-243,0,0,0,0,0,0,0,0,0,0,0,5.399567424,1.145243596,0.571116323,0.758800247,0.160940878,0.548336669,0.461434897,0.420600829,7.115927343,9.921668421,20.56927632,0.63820037,1.430372395,4.564541269,0.646523159,0.172572201,0.847854635,0.120090415,0.392766546,0.148333747,0.038945676,5.383636629,3.850366499,9.743277783,0.771781952,0.580045968,4.910239006,0.85315908,0.337751788,0.804805505,0.139835785,0.454022895,0.257366963,0.148341573,6.101149874,6.135813001,13.65187773,0.707208258,0.859731431,5.38025705,1.133725343,0.561916017,0.760363807,0.160223519,0.544445651,0.452287913,0.407295826,7.07589841,9.760044813,20.26348133,0.64054571,1.40402939,5.058190755,0.941520375,0.408362858,0.789346497,0.146927201,0.481598545,0.312958127,0.216308355,6.408073988,7.212448843,15.56530588,0.684019745,1.010865028,5.459607676,1.181052293,0.599717703,0.754050123,0.163120261,0.560523529,0.490445463,0.463297096,7.240377672,10.43060351,21.5380102,0.631075185,1.514266089,5.398490031,1.137025209,0.562535229,0.760559544,0.16018838,0.548100566,0.454781649,0.407785918,7.098050469,9.814676821,20.36569187,0.640839317,1.410668133 +UMLYSI0238,L,cyclohexanol,C1CCC(CC1)O,saturated alcohols,C6H12O,108-93-0,7966,PubChem,,42.3,0,-1.9507,3.80523049,20.5205,19.363516,0,0,19,7,12,0,6,0,1,0,0,0,0,0,0,0,1133.745495,1207.053675,1549.58304,1193.535765,438.449637,58.585968,2.032128,0,0,3130.497121,4187.947323,6022.934944,5610.501658,2868.369904,713.9362997,62.16748886,0,0,139.21638,143.0421,272.079888,392.4849,301.690908,120.118464,13.436928,0,0,22.71195886,30.8564954,47.78143164,49.24638639,28.62519769,8.40766095,0.88922581,0,0,3165.229247,2783.641766,5699.043928,8986.01867,7322.697204,3112.338229,369.835304,0,0,61.02777778,43.33333333,75.66666667,104.8333333,76.16666667,27.5,2,0,0,59.67081553,63.52914079,41.8806227,22.10251417,10.43927707,3.446233412,1.016064,0,0,164.7630063,220.4182802,162.7820255,103.8981788,68.29452152,41.99625292,31.08374443,0,0,7.327177895,7.528531579,7.353510486,7.268238889,7.183116857,7.065792,6.718464,0,0,1.195366256,1.624026073,1.291390044,0.911970118,0.681552326,0.494568291,0.444612905,0,0,166.591013,146.5074614,154.0282143,166.4077531,174.3499334,183.0787194,184.917652,0,0,3.211988304,2.280701754,2.045045045,1.941358025,1.813492063,1.617647059,1,0,0,0.22180799,-0.10683988,-0.0030662,-0.003822968,-0.008157108,-1.94E-04,0.011176059,0,0,605.7336044,-17.00336274,-198.6251118,-209.9723284,-47.91358956,134.2904818,36.35710848,0,0,916.6964704,30.63169594,-407.6899167,-371.5236714,-53.62487682,289.3832422,54.47529162,0,0,1.062550737,-0.094909895,-0.054967014,-0.192912831,-0.157963945,-0.052373186,0.021851501,0,0,4.063287563,0.281161144,-1.962821579,-1.705003793,-0.225969395,1.371143624,0.209846219,0,0,22.47243353,1.73843745,-10.91892505,-9.414270569,-1.275818604,7.547051901,1.087308108,0,0,23.13157895,-2.565789474,-0.707987073,-3.776008002,-3.41658972,-1.439365959,0.339950754,0,0,0.011674105,-0.005623152,-8.29E-05,-7.08E-05,-1.94E-04,-1.14E-05,0.005588029,0,0,31.88071602,-0.894913828,-5.368246265,-3.888376452,-1.140799751,7.899440108,18.17855424,0,0,48.24718265,1.612194523,-11.0186464,-6.88006799,-1.276782781,17.02254366,27.23764581,0,0,0.055923723,-0.004995258,-0.001485595,-0.00357246,-0.003761046,-0.003080776,0.010925751,0,0,0.21385724,0.014797955,-0.053049232,-0.031574144,-0.005380224,0.080655507,0.104923109,0,0,1.18275966,0.091496708,-0.295106083,-0.174338344,-0.030376633,0.443944229,0.543654054,0,0,1.217451524,-0.135041551,-0.019134786,-0.069926074,-0.081347374,-0.084668586,0.169975377,0,0,-0.481677331,-0.00709864,-0.006064337,-0.016636552,-9.77E-04,0.478668779,0,0,-0.028070694,-0.168385373,-0.121966409,-0.035783379,0.247781138,0.570205331,0,0,0.033415309,-0.228379064,-0.142600409,-0.026463365,0.352819434,0.564543758,0,0,-0.089322694,-0.026564665,-0.063880937,-0.067253146,-0.055088886,0.195368801,0,0,0.069195483,-0.248059088,-0.147641222,-0.025158015,0.377146489,0.490622199,0,0,0.077358665,-0.249506381,-0.147399636,-0.025682845,0.375346103,0.459648797,0,0,-0.110921502,-0.015717082,-0.057436434,-0.066817752,-0.069545755,0.139615725,0,0,1.338409523,0.683690324,0.900670762,1.102168334,1.33018434,1.366626073,0,0,1.229587154,1.221191063,1.055555556,0.88040208,0.498640433,0,0,0,1.340550329,1.414375913,1.055555556,0.77020994,0.226401029,0,0,0,0.986635536,0.760540089,1.055555556,1.138261208,1.135704162,0,0,0,1.380543359,1.477009214,1.055555556,0.733575419,0.135892213,0,0,0,1.384757816,1.481353799,1.055555556,0.730708463,0.128809145,0,0,0,1.012514221,0.742520678,1.051752834,1.14150279,1.150070267,0,0,0,23.20941982,11.72970991,17.21208902,23.38799125,3.341141607,11.72974044,0.25,0.035849824,0.005121403,-2.329891645,25.29033941,3.61290563,2.261295737,23.21271554,11.73099056,17.21395745,23.39076238,3.341537483,11.73102104,0.249265579,0.035718212,0.005102602,-2.33246621,25.29671653,3.613816648,2.261472224,26.1796847,12.89034511,19.0786505,26.12268549,3.731812212,12.890354,-0.398994478,0.094964047,0.013566292,-1.647979839,38.87111858,5.55301694,2.562176065,23.2161746,11.7323347,17.21591892,23.39367089,3.341952984,11.73236514,0.2484948,0.035580037,0.005082862,-2.335179399,25.30341959,3.614774226,2.261657684,29.39425705,14.15598139,21.53996365,29.23964358,4.17709194,14.15598385,-1.082294264,0.235308989,0.03361557,-1.012799047,54.73036515,7.818623593,2.801693074,23.55530654,11.86422036,17.4103995,23.67897381,3.382710545,11.86424667,0.173134186,0.021834133,0.003119162,-2.676996549,26.01277259,3.71611037,2.28101137,21.27047422,10.94614514,16.1138092,21.67998869,3.097141241,10.94622114,0.743055556,0.083340813,0.01190583,-1.739371832,24.01639425,3.430913464,2.225115684,0,11.9,15.99491614,-0.392487666,0.062193361,4.666372173,7.024271015,7,19,19,19,7,0,0,0,0,0,13.118484,3.608047962,2.877794114,2.750129472,1.952549393,1.456797487,1.237916259,0.852531933,0.083923071,1.958493074,1.372874417,1.340308483,0.675732743,0.666206401,0.518039517,0.284621519,0.083923071,3.613250346,2.840871852,2.792995694,1.782915552,1.556142907,1.308283639,0.940937142,0.270913902,1.915299191,1.301527781,1.285229005,0.662855404,0.522081792,0.39108451,0.146123031,0.270913902,3.738706939,3.056153396,2.981537655,2.263265786,1.9628467,1.792966745,1.492830491,0.943918427,1.743791411,1.026227423,1.018928274,0.134114599,0.037619229,0.157492979,0.452972013,0.943918427,3.626911903,2.85010944,2.824624264,1.769348106,1.62787375,1.370958447,1.013772928,0.399277246,1.888275353,1.279683894,1.228596505,0.648324957,0.425347018,0.294765696,0.043425175,0.399277246,3.787207281,3.115367857,3.072480534,2.351296442,2.141548494,1.981883318,1.701593308,1.207644823,1.696516911,0.962856639,0.933903671,0.028400669,0.135164289,0.340579787,0.657456413,1.207644823,4.681938195,3.567850077,2.913871994,2.686238368,1.801304711,1.653821402,1.329746385,0.679245283,1.777724794,1.103191503,1.054736253,0.215758786,0.148149932,0.06820542,0.426773397,0.679245283,0,0,0,0,0,0,6,0,0,0,0,0,0.102062073,0.102062073,0,0,0,0.102062073,0.045643546,0.288675135,0,0,0,0.129099445,0,0,0,0.40824829,0.433012702,0.40824829,0.182574186,0.193649167,0.182574186,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,4.560097771,3.074695471,2.291833947,1.574695471,1.081038718,0.741471881,0.091287093,0,0.651442539,0.43924221,0.286479243,0.196836934,0.13512984,0.092683985,0.045643546,0,9.965765927,18.6576839,17.70196078,17.96,11.27156647,146.3240515,0.524513996,0.981983363,0.931682147,0.945263158,0.59324034,7.701265868,1.3114,29.0918,25.81164286,34.91599912,51.62328572,7.374755103,25.81164286,0.063309915,0.009044274,-1.931799329,26.80913824,3.829876892,2.302119966,45,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.562777778,0,8.909166667,0,0,0,0,0,0,0,0,0,0,0.562777778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.837222222,0,0,0,0,0,0,0,0,0,0,0,0,0,5.888287037,0,0,0,0.03587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.909166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.562777778,0,8.909166667,0,0,0,0,0,0,0,0,0,0,0.562777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,0,0,1.041666667,0,0,0,0.03587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.909166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.562777778,0,8.909166667,0,0,0,0,0,0,0,0,0,0,0.562777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,1.330416667,0,0,0,0.03587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.909166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.83333333,2.119047619,0.562777778,8.909166667,0.24,0.03587963,2.853403194,1.297453704,2.909166667,5.818333333,1.297453704,2.909166667,5.818333333,3.33333,0.47619,0,0.02381,0.48772,0.80952,0.43333,0.48772,0.74583,0.05439,0,-0.05439,0.06369,0.58823,0.12606,0,0.1,0.15,0,3.75,0.53571,3.75,0.53571,0,0,-3.75,-0.53571,0,0,5.85307,0.83615,6.62679,0.77372,0.11053,3.11227,0.44461,3.39384,0.28157,0.04022,0.02016,0.00288,0.10616,0.01517,0.315789474,7.01,1,1,1,1,1,1,1,1.167436723,1.634064972,2.144023911,2.694781461,2.800044618,2.75505762,22.18129774,31.04723448,40.7364543,51.20084775,53.20084775,52.34609478,0.27482501,0.38467346,0.504722339,0.634375575,0.659155461,0.648565121,3.08049079,2.613862541,2.103903603,1.553146053,1.447882895,1.492869894,0.27482501,0.38467346,0.504722339,0.634375575,0.659155461,0.648565121,10.29981851,13.02646451,16.34906095,17.34085744,17.01021505,16.96487602,25.71846446,23.58035941,20.12195543,19.58755983,20.0720868,20.13567471,5.142857143,2.34375,1.5,0,0,0,2.01,0.9041,0,0,0,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.389,0.395,0.56,0.398,3.746,8,8,8,8,2,0,0,0,0,48,2.079441542,2.197224577,2.197224577,2.197224577,2.197224577,1.098612289,0,0,0,0,3.891820298,1,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.142857143,0,3,4,0.333333333,1,0.444444444,0.1875,0.111111111,0,0,0,0,0,0,0.142857143,0.055555556,0.0375,0.111111111,0,0,0,0,0,0,0.34702381,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,20.23,108.7661345,3.807354922,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,71.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.388905171,100.088815,5.267832369,13.67682532,1.953832189,2.490696528,2.490696528,0,42,5,1.329,30,1.216473003,2.088999918,2.783547558,3.563394894,4.218019907,5.065958585,0,0,0,0,87.51719182,97.38404683,67.98498259,40.11668149,15.6166181,5.147338144,0,0,0,0,290.3844008,361.540798,304.7335817,247.5991792,181.1623263,157.468962,0,0,0,0,9.18004505,15.44330077,20.35033973,25.79091519,29.98713376,34.03546038,0,0,0,0,2.094355494,2.80952086,2.628377795,2.428274369,2.09749616,2.252390562,0,0,0,0,176.0609118,319.277447,459.1020061,621.698546,771.985937,936.7851668,0,0,0,0,2.814623503,4.442334841,5.653292706,6.845908327,7.154695457,5.065958585,0,0,0,0,0.452635227,0.621872342,0.610213272,0.590706345,0.524715042,0.518754159,0,0,0,0,327.1110047,196.5670574,18.03563168,101.4541595,-60.96568235,-21.42712196,225.6568451,257.5327398,39.46275364,0.763270167,0.458663172,0.042083756,0.236729833,-0.142255338,-0.049997349,140.1883814,84.24179324,7.729443453,43.47971855,-26.12776767,-9.182918043,0.349662029,0.653121152,14.16322496,32.4944601,338.3071173,90.25804693,0.789394812,0.210605188,532.2387967,23.07030118,8.1040512,656.8271256,25.62863878,8.6926133,849.0369679,29.13823893,9.46910357,1.292618236,1.292618236,284.6957962,205.8769762,108.5909053,1.382844267,2.621727808,1.895895201,3.411071632,3.651949769,5.137365531,0.406745945,3.782863451,4.057493436,5.735711208,9.530285277,14.41528037,4.19612036,8.951644219,2.543775847,2.013660056,1.94E-06,4.81E-33,2.30E-81,2.12E-151,3.76E-243,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337942493,4.183947967,0.47789656,3.273535367,0.794886229,1.557969249,1.144072371,0.176593456,0.103092911,1.37E-08,3.39E-35,1.62E-83,1.49E-153,2.65E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.970089148,3.947752207,1.456046672,3.316029113,2.818155919,1.438146085,1.435291976,0.383284446,0.249866963,1.43E-07,3.53E-34,1.69E-82,1.55E-152,2.76E-244,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.793707352,4.18398277,5.586647848,9.414144631,13.31756887,4.312625627,8.811166909,2.791115953,2.104004397,1.73E-06,4.29E-33,2.05E-81,1.89E-151,3.35E-243,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.362538353,3.858031493,2.103404367,3.641540944,4.430830236,1.577685382,1.919669414,0.483016439,0.348461951,3.10E-07,7.67E-34,3.66E-82,3.37E-152,5.99E-244,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.748856929,4.137921496,7.143374599,12.69084277,18.79910444,5.257041108,12.64516031,3.679760582,2.938518873,2.84E-06,7.02E-33,3.35E-81,3.09E-151,5.48E-243,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.079837183,5.020498161,5.079709312,10.51824885,8.614930012,6.20701152,9.898769882,4.475371734,2.887190558,8.97E-07,2.22E-33,1.06E-81,9.76E-152,1.73E-243,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.007221082,1.606725918,0.600617787,0.47625821,0.381231752,0.458055523,0.53126702,0.416200387,4.214564787,5.395654986,11.54724465,0.286234943,1.40552293,1.992468827,0.936401275,0.149486716,0.647250772,0.304188673,0.462645427,0.17905983,0.025463661,3.078356818,2.303577525,5.660839236,0.470876158,0.667168919,1.74045317,1.250132717,0.334382656,0.523449514,0.375983322,0.349562431,0.319547225,0.128612927,3.324968544,3.175797504,7.228314979,0.349149254,0.797722582,2.082061724,1.562436348,0.579075727,0.49296208,0.369932295,0.494180788,0.501381741,0.386899624,4.2235738,5.363529289,11.47088792,0.294341562,1.382462152,1.695940727,1.387942831,0.421715817,0.483780531,0.395921691,0.329211295,0.394921001,0.205146084,3.505599376,3.654391249,8.152654319,0.319553332,0.92927838,2.069528225,1.643744759,0.631878151,0.476284521,0.378294036,0.486721646,0.556234185,0.460568561,4.345151136,5.748112243,12.24277142,0.281867834,1.503524392,2.095293756,1.563859033,0.580877002,0.494169584,0.368832086,0.500534456,0.502257366,0.389304847,4.240029791,5.40226177,11.54567683,0.294502504,1.392096669 +UMLYSI0239,L,4-methyl-2-pentanol,CC(C)CC(C)O,saturated alcohols,C6H14O,108-11-2,7910,PubChem,,42,0,0.3691,0.13623481,30.5808,20.697102,0,0,21,7,14,0,6,0,1,0,0,0,0,0,0,0,1135.777623,1087.00373,1361.970887,1022.493408,879.905468,276.421824,24.385536,0,0,3192.664609,3993.903654,5295.890299,5286.936192,4051.846017,2409.231857,746.0098663,0,0,152.653308,149.736848,269.661164,352.010568,358.858496,223.658496,161.243136,0,0,23.60118467,30.29468402,42.76141892,46.44306835,37.93954988,23.2443573,10.67070972,0,0,3535.064551,2963.092506,5884.347641,7876.558601,8838.335283,5103.997848,4438.023649,0,0,67.80555556,49.66666667,79.44444444,103.6666667,90.33333333,74,24,0,0,54.08464871,54.3501865,36.81002397,21.301946,17.25304839,9.2140608,1.016064,0,0,152.0316481,199.6951827,143.1321702,110.144504,79.44796112,80.30772857,31.08374443,0,0,7.269205143,7.4868424,7.288139568,7.3335535,7.036441098,7.4552832,6.718464,0,0,1.123865937,1.514734201,1.155714025,0.967563924,0.743912743,0.77481191,0.444612905,0,0,168.3364072,148.1546253,159.0364227,164.0949709,173.3006918,170.1332616,184.917652,0,0,3.228835979,2.483333333,2.147147147,2.159722222,1.77124183,2.466666667,1,0,0,0.224413066,-0.111011174,0.014382613,-0.052356675,0.076119882,-0.079385674,0.040044494,0,0,638.6281311,-66.44114433,-3.463459061,-462.7834378,351.0088177,-494.7754179,357.1405758,0,0,965.983639,-78.0117429,-100.9839761,-643.2919993,385.972983,-581.7949148,535.1178306,0,0,1.082321143,-0.089402612,0.023806367,-0.404660898,0.252638939,-0.53819249,0.214650122,0,0,4.253148428,-0.249912087,-0.751838106,-2.368427271,0.95944765,-1.777190931,2.06134653,0,0,23.45618849,-1.219488698,-4.60525269,-12.11843415,3.941961387,-8.407648176,10.68076809,0,0,24.47089947,-4.829428068,3.047304107,-11.32237339,9.786281179,-13.49017385,4.572940287,0,0,0.010686336,-0.005550559,3.89E-04,-0.001090764,0.001492547,-0.002646189,0.001668521,0,0,30.41086339,-3.322057216,-0.093607002,-9.64132162,6.882525836,-16.49251393,14.88085733,0,0,45.9992209,-3.900587145,-2.729296652,-13.40191665,7.568097705,-19.39316383,22.29657628,0,0,0.051539102,-0.004470131,6.43E-04,-0.008430435,0.004953705,-0.01793975,0.008943755,0,0,0.202530878,-0.012495604,-0.020319949,-0.049342235,0.018812699,-0.059239698,0.085889439,0,0,1.116961357,-0.060974435,-0.124466289,-0.252467378,0.077293361,-0.280254939,0.445032004,0,0,1.165280927,-0.241471403,0.08235957,-0.235882779,0.191887866,-0.449672462,0.190539179,0,0,-0.519407068,0.036375354,-0.102070907,0.139668699,-0.247623603,0.156135885,0,0,-0.109239161,-0.003078078,-0.317035445,0.226318002,-0.542323107,0.489327026,0,0,-0.084796809,-0.059333541,-0.291350949,0.16452665,-0.421597659,0.48471639,0,0,-0.0867328,0.012484023,-0.163573579,0.096115464,-0.348080369,0.17353339,0,0,-0.06169728,-0.100330128,-0.243628208,0.092888054,-0.292497117,0.424080712,0,0,-0.054589565,-0.111432941,-0.22603054,0.069199673,-0.250908357,0.398430976,0,0,-0.207221622,0.070677867,-0.202425676,0.164670906,-0.385891892,0.163513514,0,0,1.436411387,0.699453795,1.201907548,0.598942465,1.927246816,0.389039555,0,0,1.420617299,1.082045994,1.359099741,0.561987884,1.58845942,0,0,0,1.575881923,1.239393568,1.311243376,0.624985413,1.260362047,0,0,0,1.044336986,0.805919564,1.358304489,0.558907724,2.186377567,0,0,0,1.628819317,1.312044903,1.2738326,0.673486988,1.112871702,0,0,0,1.633454525,1.324950818,1.263292454,0.68703989,1.087688569,0,0,0,1.182810811,0.740598977,1.394797297,0.489666137,2.233945946,0,0,0,27.27118176,13.76059088,21.09087361,27.44975319,3.921393313,13.76059382,0.25,0.026495935,0.003785134,-2.541534772,40.128551,5.732650142,2.584461653,27.27432442,13.761795,21.09243262,27.45237126,3.921767323,13.76179794,0.249265579,0.02642258,0.003774654,-2.543475443,40.17001682,5.738573831,2.585184607,30.11585394,14.85842973,22.60175108,29.83085788,4.261551126,14.85843063,-0.398994478,0.049279663,0.007039952,-2.107170662,33.09915334,4.728450476,2.449655392,27.27762288,13.76305884,21.09406915,27.45511916,3.92215988,13.76306177,0.2484948,0.026345566,0.003763652,-2.545518708,40.21373763,5.744819662,2.585946069,33.21918331,16.06844452,24.55129269,32.44611597,4.635159425,16.06844478,-1.082294264,0.1522544,0.021750629,-1.317541731,26.17820816,3.739744023,2.285449121,27.60117512,13.88715465,21.25573973,27.7248424,3.960691771,13.8871572,0.173134186,0.018680225,0.002668604,-2.786202864,45.84058804,6.548655434,2.67761893,32.57032796,16.53747879,26.33744004,32.9307777,4.704396814,16.53747898,0.50462963,0.054210215,0.007744316,-2.040420143,30.94815613,4.421165162,2.402619395,0,11.99635526,15.9979425,-0.418467985,0.077810151,4.576436164,7.445258918,6,20,20,20,6,0,0,0,0,0,15.304898,3.511808455,3.076561675,2.333552793,2.231408939,2.013068244,1.099037174,0.860209742,0.083923071,1.887574439,1.588756993,1.249629723,1.117972042,0.682416021,0.391614545,0.288192792,0.083923071,3.516051248,3.069619354,2.405454588,2.288173903,1.826472864,1.168962768,0.950817246,0.270913902,1.839930545,1.530470607,1.134540686,1.010591005,0.700405093,0.248906262,0.149511353,0.270913902,3.650045561,3.269771576,2.704236987,2.589310619,2.318794166,1.648414325,1.497259889,0.943918427,1.655246046,1.267319545,0.76031856,0.634406114,0.164061693,0.294631063,0.446979541,0.943918427,3.530520612,3.086686486,2.457539916,2.337056265,1.802867338,1.236310884,1.022775525,0.399277246,1.810807526,1.494001429,1.058262671,0.941365079,0.69725655,0.150772557,0.046110974,0.399277246,3.701788808,3.339929115,2.838982085,2.718238991,2.398425529,1.837606142,1.706069443,1.207644823,1.604567046,1.196970275,0.631337262,0.508889267,0.068327785,0.481479383,0.650471973,1.207644823,4.245724978,3.436529563,2.938732365,2.642252836,2.407289954,1.413056775,1.220766255,0.590163934,1.77075219,1.331640604,0.871761033,0.799377312,0.193640046,0.023989953,0.310959652,0.590163934,0,0,0,0,0,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.590822476,0,0,0,0.471404521,0.942809042,0.23570226,0.341111516,0.551930026,0.105409255,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,5.309020915,2.806746278,2.478570477,0.812516037,0.682223031,0,0,0,0.758431559,0.467791046,0.354081497,0.203129009,0.170555758,0,0,0,10.50759373,20.54552076,19.42745098,19.72,12.07012096,162.609612,0.500361606,0.978358131,0.925116713,0.939047619,0.574767665,7.743314856,1.4133,31.1358,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,38,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.585277778,0,8.722777778,0,0,0,0,0,0,0,0,0,0,0.585277778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.814722222,0,0,0,0,0,0,0,0,0,0,0,6.027222222,0,0.916666667,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.722777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.585277778,0,8.722777778,0,0,0,0,0,0,0,0,0,0,0.585277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,1.819444444,0,0.916666667,0,0,0,-0.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.722777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.585277778,0,8.722777778,0,0,0,0,0,0,0,0,0,0,0.585277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.103888889,0,0.916666667,0,0,0,0.625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.722777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.16666667,2.30952381,0.585277778,8.722777778,0.24,-0.125,3.258093333,1.458333333,2.722777778,5.861111111,1.458333333,2.722777778,5.861111111,3.33333,0.47619,0,0.02381,0.46984,0.80952,0.42174,0.46984,0.74583,0.0481,0,-0.0481,0.06369,0.58823,0.12606,0,0.55,0.3,0,3.25,0.46429,3.25,0.46429,0,0,-3.25,-0.46429,0,0,6.62618,0.9466,7.47656,0.85037,0.12148,2.83176,0.40454,3.12588,0.29412,0.04202,0.28812,0.04116,0.28812,0.04116,0,6.01,1,1,1,1,1,1,1,1.115520094,1.875145811,2.843301946,3.236857303,3.027699331,2.286305536,23.42592197,39.37806204,59.70934087,67.97400337,63.58168595,48.01241626,0.253970737,0.426914913,0.647335261,0.736936107,0.68931706,0.52052375,3.276797329,2.517171611,1.549015477,1.155460119,1.364618092,2.106011887,0.258107046,0.433867887,0.657878124,0.748938259,0.700543661,0.52900129,9.935135927,16.33021075,18.74795252,19.14458746,16.63469179,11.28929451,25.72285013,18.43414611,16.55856113,16.14509377,14.89014593,11.73409456,7,3.06122449,6,7,0,5,2.01,1.0127,0.944940787,1.5,3.464101615,0,0,2,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.348,0.421,0.415,0.371,0.175,3.162,7,4,4,0,0,0,0,0,0,28,1.945910149,2.079441542,1.609437912,1.609437912,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,2.5,0.444444444,0.5,0,0,0,0,0,0,0,0.416666667,0.063492063,0.125,0,0,0,0,0,0,0,0.60515873,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,20.23,121.1225932,3.807354922,3.295836866,3.891820298,4.65396035,5.262690189,6.033086222,6.64509097,7.417580402,8.030409562,8.803424212,67.03389907,2.564949357,0,3.713572067,0,4.976733742,0,6.300785795,0,7.655864018,7.958576904,102.1044651,4.862117384,12.50916243,1.787023205,2.353722019,2.353722019,0,48,4,1.819,26,1.2214,2.116932418,2.875904505,3.440378192,4.303272879,4.770637719,0,0,0,0,77.91771384,88.1166644,67.13894588,66.55756506,39.71918894,4.847273243,0,0,0,0,269.3444456,327.8657657,333.242243,298.6099994,353.9987865,148.2892836,0,0,0,0,9.169769619,15.52192718,21.13938777,24.26309326,31.80794626,32.05135777,0,0,0,0,1.986542612,2.58679635,2.880875897,2.728846074,3.44121421,2.121087094,0,0,0,0,178.525005,332.8298398,469.4416465,590.6241409,726.474553,882.1751257,0,0,0,0,3.07425,4.787928158,6.310844427,6.231618889,10.16535164,4.770637719,0,0,0,0,0.431093955,0.577600652,0.656286991,0.625847153,0.816618969,0.488513302,0,0,0,0,358.5956863,224.6112639,12.19960801,134.7501084,-84.40255506,-15.91452037,223.8455779,309.0138189,28.11412838,0.726864788,0.455281602,0.024728311,0.273135212,-0.171081939,-0.032258348,176.9116738,110.8110225,6.018625307,66.47839931,-41.6396456,-7.851361701,0.335437009,0.627020562,4.392967793,15.92829567,454.8463948,38.49939985,0.921962647,0.078037353,408.0877446,20.20118176,7.417391191,552.0501458,23.4957474,8.203380253,706.5916722,26.58179212,8.906823334,1.465754876,1.098242147,379.2962583,301.9659798,108.8609707,1.256089373,3.484226309,2.773868153,3.777742288,3.22022378,6.424248771,0.99496967,4.381799444,5.130528446,3.30376921,15.55599897,6.822725503,4.634403795,5.439840263,9.814356434,3.757064641,5.56719222,0.884260915,1.126710553,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384429003,5.252756249,0.247357905,7.557501604,0.826887165,0.213989288,0.318712426,0.582241454,1.109232456,0.076317574,0.00622899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.123649838,5.017031279,0.726821031,7.626668583,1.297986022,0.647551556,0.917315302,1.776143727,1.390498929,0.503936456,0.064902493,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.356808952,5.258169166,3.277733114,15.44093032,6.390532886,4.565849819,4.96900922,9.505530668,3.847613624,4.985818673,0.787861291,1.003878818,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.591292342,4.927357446,1.045045042,8.161073774,1.812687644,0.991082807,1.460917366,2.674227349,1.573238769,1.003304595,0.140974259,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.482758104,5.21298423,4.298355923,18.96774633,9.426055321,6.533344697,7.36428239,13.21576441,4.889551555,7.998192649,1.289607956,1.643201451,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.80629938,5.040551856,2.523598735,16.03301767,4.027929998,3.781154946,2.300740827,6.654066735,4.247451214,2.107126232,0.307987142,0.392425927,2.80E-15,3.84E-51,1.02E-108,5.20E-188,5.13E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.608059357,1.297104829,0.557827629,0.660454835,0.237434884,0.516578067,0.533652149,0.413396348,5.462991815,7.416267323,15.48990985,0.490682252,1.463626564,2.832596583,0.929573926,0.155984996,0.722941338,0.237247839,0.323243191,0.25061661,0.032546647,3.918155505,3.219950078,7.548830913,0.584412007,0.606406447,3.199998383,1.027396738,0.328099075,0.702448131,0.225529151,0.406209149,0.331953777,0.143798426,4.555494195,4.674672325,10.30884731,0.553672196,0.881961352,3.555834928,1.303378571,0.539226692,0.658678211,0.241436142,0.501514143,0.537708979,0.386310732,5.398440191,7.254816669,15.15235637,0.488017317,1.425533854,3.364257295,1.081241494,0.406228748,0.693414308,0.22285701,0.449090579,0.370145261,0.220190926,4.851727537,5.443463991,11.7728789,0.540121463,1.039426766,3.647609704,1.335713415,0.58334518,0.655259036,0.239948447,0.527948576,0.566032391,0.451747111,5.566668299,7.779158736,16.1879788,0.482888554,1.545728078,3.569998089,1.306304857,0.540052812,0.659114402,0.241177817,0.505525058,0.540255739,0.38749178,5.416355759,7.296966965,15.23186217,0.488671604,1.433272577 +UMLYSI0240,L,methyl-2-methyl-2-pentenoate,CCC=C(C)C(=O)OC,unsaturated esters,C7H12O2,1567-14-2,5323653,UML,,42,0,0.6887,0.47430769,35.3993,21.925516,0,0,21,9,12,0,7,0,2,0,0,0,0,0,0,0,1533.977617,1443.097628,1709.707377,1751.825437,1302.269902,829.231123,322.898857,78.738912,9.144576,3770.404799,4402.612411,5296.668924,5406.907551,4879.755027,3723.528606,2142.0404,874.9221648,279.7536999,160.108612,153.215816,259.672308,255.07894,287.25268,241.038748,241.043428,83.016576,60.466176,26.14406286,31.32505172,39.46824873,40.33945651,36.86048131,31.43167126,20.90210047,9.348943289,4.001516144,3477.474889,2931.472338,5495.104002,5356.318594,5950.990157,5193.052438,5886.783447,2028.241198,1664.258868,97.05555556,62.94444444,103.6666667,107.1666667,121.9166667,88,65,18,9,73.04655319,72.1548814,50.28551109,51.52427756,36.17416394,25.91347259,9.784813848,6.561576,1.016064,179.5430857,220.1306206,155.7843801,159.0266927,135.5487508,116.3602689,64.91031516,72.9101804,31.08374443,7.624219619,7.6607908,7.637420824,7.502321765,7.979241111,7.532460875,7.304346303,6.918048,6.718464,1.244955374,1.566252586,1.160830845,1.186454603,1.023902258,0.982239727,0.633396984,0.779078607,0.444612905,165.5940423,146.5736169,161.6207059,157.5387822,165.3052821,162.2828887,178.3873772,169.0200999,184.917652,4.621693122,3.147222222,3.049019608,3.151960784,3.386574074,2.75,1.96969697,1.5,1,0.282619589,-0.178793702,0.012649579,0.120382853,-0.097543679,0.005312107,-0.017611032,0.003106215,0.011187864,751.701177,-11.34037805,171.3865376,127.8741628,-533.6654526,-466.0211168,127.0814702,-24.83197512,233.6661634,1018.843734,-137.0120425,214.4918965,-153.1355034,-307.7851458,-745.6160577,424.2688466,-114.8950093,310.2611487,1.933471238,0.001381297,0.643678948,0.188981043,-1.386233361,-0.416869315,-0.345014993,0.138099864,0.209240898,4.548872301,-0.99958663,1.04170646,-1.88216372,0.015233909,-3.157768247,2.265840008,-0.643123455,1.085425525,25.57408015,-6.115137727,6.104429097,-12.26955459,1.924556963,-17.00100408,12.78222155,-3.6532988,5.440747517,37.60582011,-1.579617032,10.35248173,8.244016125,-28.55045351,-8.171831696,-4.785336357,1.495086924,4.192743764,0.013458076,-0.008939685,3.72E-04,0.003540672,-0.002709547,1.66E-04,-5.34E-04,2.59E-04,0.001243096,35.79529414,-0.567018902,5.040780518,3.761004789,-14.82404035,-14.5631599,3.850953642,-2.06933126,25.96290705,48.51636829,-6.850602125,6.308585191,-4.503985393,-8.549587385,-23.3005018,12.85663171,-9.574584109,34.47346096,0.092070059,6.91E-05,0.018931734,0.005558266,-0.038506482,-0.013027166,-0.010455,0.011508322,0.023248989,0.216612967,-0.049979331,0.030638425,-0.055357756,4.23E-04,-0.098680258,0.068661818,-0.053593621,0.120602836,1.21781334,-0.305756886,0.179542032,-0.360869253,0.053459916,-0.531281378,0.387340047,-0.304441567,0.604527502,1.790753338,-0.078980852,0.304484757,0.242471062,-0.793068153,-0.25536974,-0.145010193,0.124590577,0.465860418,-0.664261766,0.027644846,0.263089035,-0.201332397,0.012334851,-0.039654081,0.019233901,0.092368033,-0.015840599,0.140822436,0.105069811,-0.414133777,-0.406845655,0.107582679,-0.057810148,0.725316209,-0.141201874,0.130030038,-0.092834348,-0.176220679,-0.480260634,0.264995756,-0.197347502,0.710553205,7.50E-04,0.205623131,0.060369962,-0.418230233,-0.141491884,-0.113554829,0.124995271,0.252514106,-0.230731023,0.141443173,-0.255560677,0.001953549,-0.455560252,0.316979263,-0.247416496,0.556766467,-0.251070403,0.147429845,-0.296325587,0.043898284,-0.436258464,0.318061918,-0.249990336,0.496404073,-0.044104819,0.170031657,0.135401709,-0.442868449,-0.142604643,-0.080977201,0.069574393,0.260147731,1.668982852,0.999464107,0.975177458,1.54832371,0.926833729,0.673510302,0.130953799,0.031879034,0.998072496,0.844668657,0.836394183,1.506840388,1.34319614,0.787591549,0.805280161,0,1.376499109,0.872028922,1.154541019,1.066970291,1.435483642,0.483709539,1.104818167,0,0.71322085,0.808824457,0.688413167,2.063576943,1.068497275,1.079177568,0.061330108,0,1.575925028,0.881846372,1.349806609,0.903243033,1.422195421,0.342529585,1.106234928,0,1.608658199,0.882351046,1.388497309,0.89274487,1.405119562,0.323917809,1.068838577,0,0.602004924,0.547040202,0.719538185,2.346465002,1.074744988,1.043519969,0.132958143,0,36.17920182,18.33960091,27.10488601,36.56809071,4.06312119,18.33960095,0.5,0.141762025,0.015751336,-1.758244956,58.43991517,6.493323908,3.661199222,36.18932744,18.3439293,27.11048094,36.57707389,4.064119322,18.34392934,0.498531158,0.1414178,0.015713089,-1.760432984,58.34678718,6.482976353,3.659763866,45.39995378,22.30098241,32.69882507,44.77929571,4.975477301,22.30098241,-0.797988956,0.158128221,0.017569802,-1.659914145,40.22330903,4.469256559,3.325001989,36.19995528,18.34847244,27.11635464,36.58650274,4.065166972,18.34847248,0.4969896,0.141056491,0.015672943,-1.762735338,58.24960532,6.472178369,3.658263585,55.49417861,26.66479504,39.75933067,53.81060975,5.978956639,26.66479504,-2.164588529,0.384826681,0.04275852,-0.859466003,103.4092178,11.48991309,4.174824695,37.24359435,18.79493136,27.69951916,37.51291419,4.168101577,18.79493139,0.346268372,0.105540864,0.011726763,-2.023791359,50.88351917,5.653724352,3.536585174,36.46394095,18.56665024,28.09502243,37.08916141,4.121017935,18.56665029,1.125396825,0.251644271,0.027960475,-1.241764932,94.46537003,10.49615223,4.093409981,0,11.99632006,15.9982593,-0.346261473,0.288316755,4.362273528,8.081754966,8,20,18,18,6,2,2,0,0,2,15.992484,3.645257452,3.148059706,2.808222822,2.477530885,2.154622636,1.44411467,1.091111948,0.474560171,1.843301587,1.544631229,1.416381294,1.064631839,0.798831576,0.492029466,0.083923071,0.083923071,3.593663271,3.068879231,2.790619382,2.395808594,2.200405417,1.513959187,0.636048803,0.518070644,1.819931677,1.514289184,1.361273287,0.99411872,0.831488703,0.412185242,0.270913902,0.270913902,3.707331714,3.296233311,3.048358674,2.698534679,2.484464159,1.90534504,1.256590726,0.991224984,1.671950745,1.239381147,1.030246308,0.643436398,0.473203502,0.051052511,0.943918427,0.943918427,3.590830217,3.066781103,2.798103443,2.39795252,2.229304014,1.571370578,0.576187736,0.465081489,1.814695021,1.502729015,1.316453395,0.96952658,0.801284398,0.334057422,0.399277246,0.399277246,3.725943291,3.341440088,3.133829556,2.766176847,2.59175521,2.064175669,1.209058082,1.207644823,1.645914014,1.18363317,0.949833608,0.559858052,0.389333252,0.202346416,1.150843196,1.207644823,4.609583904,3.458792426,3.164275387,2.969112157,2.390776033,1.861953463,1.634800558,0.835363424,1.729934666,1.32658125,1.110172023,0.765837096,0.456188332,0.081398532,0.545454545,0.545454545,0,0,1,1,1,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0.471404521,0,0.166666667,0,0.186004234,0,0.024056261,0,1.207106781,1.138071187,0.922588984,0.327302797,0.327054244,0.200087298,7.276020882,4.218744015,3.151491193,2.359372008,1.142228525,0.402368927,0.11785113,0,0.808446765,0.527343002,0.350165688,0.262152445,0.190371421,0.134122976,0.11785113,0,6.100953631,2.970526787,1.786966761,1.017681044,0.550507189,0.125,0.041666667,0,0.677883737,0.371315848,0.198551862,0.113075672,0.091751198,0.041666667,0.041666667,0,11.68056503,20.98834669,20.05098039,20.36,12.75180599,161.2212671,0.556217382,0.99944508,0.95480859,0.96952381,0.607228857,7.677203194,1.44189,35.794,22.67893804,33.43671099,45.35787608,5.039764009,22.67893804,0.074496444,0.008277383,-2.337303502,115.5661487,12.84068319,4.274858774,70,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,2,2,0,1,0,0,0,0,0,0,0,0,3,0,1,0,1,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.06851852,2.280648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.431319444,0,0,0.711805556,0.854583333,0,0.431319444,0,0,0,0,0,0,0,0,5.108240741,0,0.875925926,0,1.83912037,0,0,0,0,0.441527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.6112037,4.457314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.457314815,-0.239027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.431319444,0,0,0.315902778,0.395902778,0,0.431319444,0,0,0,0,0,0,0,0,1.384259259,0,0.875925926,0,1.83912037,0,0,0,0,-0.239027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.6112037,4.457314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.6112037,1.83912037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.431319444,0,0,0.395902778,0.458680556,0,0.431319444,0,0,0,0,0,0,0,0,1.978611111,0,0.875925926,0,1.83912037,0,0,0,0,0.680555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.6112037,4.457314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.33333333,2.592592593,0.606319444,10.6112037,0.315902778,-0.239027778,3.081654583,1.905694444,3.611203704,9.137037037,1.905694444,3.611203704,9.137037037,4.16666,0.46296,0,0.03704,0.54444,0.87037,0.42414,0.52319,0.87037,0.12031,0.02126,-0.09905,0,0.53191,0.18238,0,0.44,0.24,0,7.75,0.86111,4.75,0.52778,3,0.33333,-1.75,-0.19444,0,0,6.06582,0.67398,10.5916,4.52578,0.50286,2.47702,0.27522,4.21873,1.74171,0.19352,0.19527,0.0217,0.19527,0.0217,0,8.02,2,2,2,2,0,0,0.571428571,1.312744353,2.580234194,3.617809684,3.617809684,3.617809684,3.408651712,27.56763142,54.18491807,75.97400337,75.97400337,75.97400337,71.58168595,0.298872833,0.587442561,0.823667631,0.823667631,0.823667631,0.776048583,3.07957307,1.812083229,0.774507738,0.774507738,0.774507738,0.983665711,0.294374814,0.578601583,0.811271479,0.811271479,0.811271479,0.764369095,11.97240834,24.96347036,26.00916491,26.00916491,26.00916491,23.49926924,32.89486864,17.71551954,16.59593241,16.59593241,16.59593241,15.34098457,9,4.839506173,3.555555556,9,5,5,2.01,1.1263,0.655185349,2.40685195,2.620741394,0,1,2.149139864,0,1,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.418,0.634,0.224,3.774,9,9,6,3,1,0,0,0,0,45,2.397895273,2.708050201,2.944438979,2.63905733,2.197224577,1.098612289,0,0,0,0,4.317488114,1.644444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.375,6,0.75,0,3,6,1,2,1.333333333,0.5,0.16,0.055555556,0,0,0,0,0,0.25,0.148148148,0.055555556,0.026666667,0.018518519,0,0,0,0,0,0.498888889,22.67893804,33.43671099,45.35787608,5.039764009,22.67893804,0.074496444,0.008277383,-2.337303502,115.5661487,12.84068319,4.274858774,26.3,141.9358871,4.169925001,3.555348061,4.262679877,5.003946306,5.739792912,6.487684018,7.230563153,7.979681302,8.724695047,9.473857817,75.4582485,2.833213344,0,3.970291914,0,5.313205979,0,6.739336627,0,8.201660191,8.470101584,128.0837296,6.09922522,16.4847872,1.831643022,5.097592009,5.097592009,0,98,9,1.702,34,1.227079368,2.113058575,3.008377271,3.775926795,4.686554232,5.578081278,7.286646757,8.06045139,0,0,99.85627615,120.3792052,167.7125623,157.283384,141.3277108,64.82950525,50.05192425,8.189934481,0,0,292.5662226,361.8223336,508.0910086,556.6704498,593.0348147,398.6917368,548.1659768,250.549011,0,0,9.476755089,16.28091771,22.67201905,30.06406937,35.68399719,41.04763777,50.4899914,54.15385249,0,0,2.030090502,2.634167643,3.731456299,4.12670265,4.862520399,3.761111508,5.811973698,3.583780707,0,0,178.2221659,336.6750355,470.0648973,616.7418565,751.5195169,987.351322,1225.168152,1490.519745,0,0,4.012055291,6.85865303,9.747776413,12.83952254,13.65491433,11.37630712,11.13193866,8.06045139,0,0,0.461802,0.615841445,0.879899955,1.016004083,1.167183974,0.920989614,1.275264794,0.825390222,0,0,326.062269,255.8117731,12.95798432,130.7703323,-102.5957117,-16.5471525,195.2919368,358.4074848,29.50513683,0.713745622,0.559968295,0.028364841,0.286254378,-0.224580539,-0.036221479,148.9558746,116.8631577,5.919629687,59.74015107,-46.86906588,-7.559278723,0.367460864,0.402001782,2.565464994,4.098582449,406.7909573,50.04164398,0.89045956,0.10954044,656.700337,25.62616508,8.692053946,776.8587949,27.87218676,9.192790488,1128.110209,33.58735192,10.40999473,1.886796916,1.886796916,783.4181109,665.603444,130.6779072,1.177004293,5.995031049,5.093465747,4.476529721,4.653690312,9.084026672,0.952004982,4.899168297,4.900586392,2.901715288,11.39522711,6.444711164,4.037766894,7.03740149,6.796099056,11.27610173,1.996443188,1.073152931,3.34880024,2.512490969,3.643175847,0.036504269,1.574269126,0.493590939,3.06E-08,3.65E-37,8.41E-88,3.74E-160,3.20E-254,0,0,0,0,0,0,0,0,0.41861442,5.165578008,0.27824093,5.353013234,1.276671488,0.676707508,0.859337355,1.243858179,2.578209728,0.021842272,0.305509082,0.257929243,0.186336998,0.228683266,0.003050943,0.011315484,0.003476401,2.15E-10,2.57E-39,5.92E-90,2.63E-162,2.26E-256,0,0,0,0,0,0,0,0,1.32990803,4.659262451,0.662095366,5.557527855,1.915191766,1.069946876,1.813468311,1.722209811,3.420966988,0.166518692,0.323397397,0.84089619,0.474296202,0.748026428,0.009857124,0.116127653,0.036226782,2.24E-09,2.68E-38,6.17E-89,2.74E-161,2.35E-255,0,0,0,0,0,0,0,0,4.626726235,5.171264305,3.18051632,11.40845579,6.006105464,3.884582377,7.305268406,6.46734982,11.55513607,1.78415283,1.102907891,3.158560974,2.636575137,3.371304309,0.034448372,1.402802287,0.439780641,2.72E-08,3.25E-37,7.49E-88,3.33E-160,2.85E-254,0,0,0,0,0,0,0,0,1.956612678,4.467320887,0.845743533,5.928935157,2.477884435,1.434556148,2.368416001,2.191992858,4.105568186,0.342553363,0.370207658,1.251278778,0.643127133,1.15728053,0.014535991,0.251684271,0.078689412,4.87E-09,5.82E-38,1.34E-88,5.96E-161,5.11E-255,0,0,0,0,0,0,0,0,5.916464766,5.076050272,3.882522675,14.14583537,8.299047755,5.099559761,9.156560184,9.194730113,14.53283566,2.886245196,1.388396449,4.135563773,3.44520224,4.721142464,0.044125313,2.295180618,0.719855996,4.46E-08,5.32E-37,1.23E-87,5.45E-160,4.67E-254,0,0,0,0,0,0,0,0,2.816035642,5.342229937,2.255422517,10.67452849,3.33954026,2.519519657,6.127775304,4.389799052,10.73499866,0.624095762,0.949332654,1.693321507,1.594527714,1.795207487,0.02167276,0.469259079,0.146853503,9.09E-09,1.09E-37,2.50E-88,1.11E-160,9.53E-255,0,0,0,0,0,0,0,0,7.348169289,1.502585564,0.303889679,0.802671176,0.164133687,0.532419574,0.480249068,0.380910557,9.154644532,13.73090615,26.24087354,0.704006763,1.3935792,5.331020817,0.998811007,0.050188707,0.835580511,0.156552946,0.281269991,0.205096651,0.010389703,6.380020531,5.642368345,12.28962779,0.753370767,0.496756345,6.131677072,1.131430626,0.148013963,0.827361546,0.152666584,0.370742149,0.270791235,0.090364215,7.411121661,8.012608579,16.45058706,0.741042318,0.731897598,7.204107641,1.491072041,0.287006333,0.802043915,0.166003247,0.51172403,0.47162407,0.339761425,8.982186016,13.23741512,25.30257825,0.703065873,1.323109524,6.552015915,1.216966185,0.199819611,0.822208426,0.152716334,0.42329734,0.315024283,0.164690037,7.968801711,9.525976793,19.08805652,0.73331264,0.90301166,7.488112226,1.555577858,0.322318794,0.799498732,0.166087592,0.552887732,0.514635708,0.428511387,9.366008879,14.56329286,27.68378115,0.699248099,1.496034828,7.210453197,1.509503621,0.289600717,0.800311577,0.167544701,0.512630629,0.483067937,0.34593171,9.009557534,13.40951095,25.57114211,0.700467365,1.341630275 +UMLYSI0241,L,"2,4-dimethyl-3-pentanol",CC(C)C(C(C)C)O,saturated alcohols,C7H16O,600-36-2,11752,PubChem,,41.9,0,0.6351,0.40335201,34.4981,23.790688,0,0,24,8,16,0,7,0,1,0,0,0,0,0,0,0,1282.073872,1255.482027,1676.745433,1780.6342,1046.25226,314.955648,36.578304,0,0,3678.349,4646.893789,6434.564824,7206.840767,5998.727068,3499.688659,1119.0148,0,0,173.630752,171.512628,312.414388,417.78112,507.878032,332.066304,241.864704,0,0,27.27931048,35.31067264,51.45553335,59.88510746,54.51592789,37.39577316,16.00606457,0,0,4031.694211,3396.131957,6814.016752,9164.605599,11894.12222,8112.964794,6657.035473,0,0,73.33333333,56.22222222,85.11111111,139,153,72,36,0,0,53.41974467,54.58617509,38.99407984,31.23919649,15.16307623,6.561576,1.016064,0,0,153.2645417,202.0388604,149.6410424,126.4358029,86.93807345,72.9101804,31.08374443,0,0,7.234614667,7.457070783,7.265450884,7.329493333,7.360551188,6.918048,6.718464,0,0,1.136637937,1.535246636,1.196640311,1.05061592,0.790085911,0.779078607,0.444612905,0,0,167.9872588,147.6579112,158.4655059,160.7825544,172.3785828,169.0200999,184.917652,0,0,3.055555556,2.444444444,1.979328165,2.438596491,2.217391304,1.5,1,0,0,0.228926086,-0.117704864,-0.007281018,0.075022488,-0.118265273,0.034122978,0.019642646,0,0,719.4334713,-66.68627803,76.16525553,-219.0695967,-372.3734348,-306.8906907,529.138009,0,0,1116.273633,-77.08945916,51.84379244,-662.5971041,-58.06847664,-626.8238509,814.598282,0,0,1.103039333,-0.085166694,0.042831194,0.02988225,-0.87736475,0.052073333,0.286225,0,0,4.928582618,-0.238116022,-0.050213397,-3.768297262,1.301606894,-2.911273985,3.202002463,0,0,27.13388615,-1.139693072,-0.759650942,-21.86490296,9.447743875,-15.95277063,16.70233066,0,0,25.16666667,-5.284722222,-0.479166667,5.951388889,-17.35416667,-1.666666667,6.25,0,0,0.009538587,-0.005117603,-1.69E-04,0.001316184,-0.001713989,7.11E-04,5.46E-04,0,0,29.97639464,-2.899403393,1.771285012,-3.843326259,-5.396716446,-6.393556056,14.69827803,0,0,46.51140137,-3.351715616,1.205669592,-11.6245106,-0.841572125,-13.05883023,22.62773006,0,0,0.045959972,-0.0037029,9.96E-04,5.24E-04,-0.012715431,0.001084861,0.007950694,0,0,0.205357609,-0.010352871,-0.001167753,-0.066110478,0.018863868,-0.060651541,0.088944513,0,0,1.130578589,-0.049551873,-0.017666301,-0.383594789,0.136923824,-0.332349388,0.463953629,0,0,1.048611111,-0.229770531,-0.011143411,0.104410331,-0.251509662,-0.034722222,0.173611111,0,0,-0.536515821,-0.017751686,0.137985219,-0.179690081,0.074528374,0.057202293,0,0,-0.096722886,0.059089328,-0.128211758,-0.180032206,-0.213286359,0.490328414,0,0,-0.072062237,0.025922022,-0.249928195,-0.018093889,-0.280766217,0.486498566,0,0,-0.080567929,0.021672648,0.011406665,-0.27666316,0.023604477,0.172991716,0,0,-0.050413864,-0.005686439,-0.321928555,0.091858627,-0.295345966,0.433120123,0,0,-0.043828773,-0.015625894,-0.339290689,0.121109515,-0.293963986,0.410368314,0,0,-0.219118917,-0.010626829,0.099570117,-0.239850274,-0.033112583,0.165562914,0,0,1.473494625,0.738444079,0.969938772,1.819602253,0.614947142,0,0,0,1.429336028,1.0404709,1.230321723,1.185673949,0.967607957,0,0,0,1.565389987,1.169177223,1.357128324,0.821769148,1.159646335,0,0,0,1.046221984,0.794006812,1.1545968,2.11664377,0.123628411,0,0,0,1.609800468,1.229611723,1.443218038,0.688090217,1.174159,0,0,0,1.613537024,1.241149924,1.466119117,0.671625548,1.158505191,0,0,0,1.209713024,0.810000513,1.070678905,2.048565121,0.228476821,0,0,0,32.55991728,16.40495864,23.86906025,32.74741728,4.09342716,16.40495886,0.25,3.03E-16,3.78E-17,-28.5871125,3000010.529,375001.3161,11.93130108,32.56296817,16.40611687,23.87021849,32.74991735,4.093739669,16.4061171,0.249265579,3.46E-16,4.33E-17,-28.47966895,3000010.529,375001.3161,11.93130108,35.36384972,17.48242762,24.94652924,35.06460387,4.383075483,17.48242769,-0.398994478,5.20E-16,6.49E-17,-28.15485333,3000010.529,375001.3161,11.93130108,32.56617043,16.40733262,23.87143423,32.75254153,4.094067692,16.40733284,0.2484948,2.87E-16,3.59E-17,-28.63013239,3000010.529,375001.3161,11.93130108,38.49473843,18.70622208,26.1703237,37.68301773,4.710377216,18.7062221,-1.082294264,2.78E-16,3.48E-17,-28.65506677,3000010.529,375001.3161,11.93130108,32.88091976,16.52702697,23.99112859,33.0107704,4.1263463,16.52702717,0.173134186,2.10E-16,2.63E-17,-28.87777504,3000010.529,375001.3161,11.93130108,42.58771771,21.50814457,32.96213571,42.90914628,5.363643285,21.50814457,0.428571429,7.08E-16,8.85E-17,-27.90717317,3000010.149,375001.2687,11.93130098,0,11.89,15.99491639,-0.391967993,0.071604371,5.210493022,8.112511249,7,23,23,23,7,0,0,0,0,0,17.491312,3.575853565,3.112599877,2.488690446,2.333552793,2.333552793,1.522323918,1.162837791,0.722056453,1.908182801,1.667247237,1.249629723,1.249629723,1.037058324,0.458651468,0.440344289,0.237310532,3.571499251,3.150713835,2.405454588,2.405454588,2.373341489,1.405750108,1.269690916,0.84138249,1.868510767,1.58857667,1.134540686,1.134540686,1.029680168,0.41774037,0.290000277,0.077587322,3.697239345,3.318028628,2.724142676,2.704236987,2.704236987,1.929648045,1.702702127,1.39697056,1.694790788,1.351217995,0.76031856,0.76031856,0.630668573,0.161419925,0.218324093,0.5223753,3.581919372,3.178805544,2.457539916,2.457539916,2.371072542,1.399527383,1.346550641,0.930993814,1.844312594,1.537907807,1.058262671,1.058262671,1.024904037,0.371053983,0.188893887,0.034106006,3.7420166,3.398793114,2.838982085,2.838982085,2.789164388,2.056905165,1.891182114,1.618661972,1.650535703,1.275766962,0.631337262,0.631337262,0.551156796,0.294266515,0.40108138,0.740643223,4.214575614,3.372281548,3.247584052,2.631436576,2.631436576,1.998680795,1.406108256,1.083645843,1.812905506,1.454256177,0.881436576,0.881436576,0.699553418,0.08832502,0.093065038,0.305765642,0,0,0,0,0,4,1,2,0,0,0,0,0,0,0,0,0,0,0,0.859116756,0,0.384900179,0,0.752732963,0,0.172132593,0,1.821367205,1.539600718,0.962250449,1.027307763,1.114065545,0.536715276,6.732050808,3.553418013,3.347150628,2.103133692,0.769800359,0,0,0,0.841506351,0.507631145,0.371905625,0.262891712,0.19245009,0,0,0,6.179264403,3.234266633,2.978626358,1.366085153,0.769800359,0,0,0,0.77240805,0.46203809,0.330958484,0.170760644,0.19245009,0,0,0,12.04942153,23.43335761,22.15294118,22.48,13.86867545,185.6378671,0.502059231,0.9763899,0.923039216,0.936666667,0.577861477,7.734911128,1.6593,35.6828,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,1.12E-17,1.40E-18,-31.22250001,3000010.529,375001.3161,11.93130108,43,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.477777778,0,9.203703704,0,0,0,0,0,0,0,0,0,0,0.477777778,0,0,0,0,0,0,0,0,0,0,0,0,0,2.122222222,0,0,0,0,0,0,0,0,0,0,0,8.12962963,0,0,0,0,0,0.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.203703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.477777778,0,9.203703704,0,0,0,0,0,0,0,0,0,0,0.477777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,2.032407407,0,0,0,0,0,-0.12962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.203703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.477777778,0,9.203703704,0,0,0,0,0,0,0,0,0,0,0.477777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.032407407,0,0,0,0,0,0.398148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.203703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18,2.25,0.477777778,9.203703704,0.2625,-0.12962963,3.795333333,1.462962963,3.203703704,6.666666667,1.462962963,3.203703704,6.666666667,3.83333,0.47917,0,0.02083,0.46528,0.79583,0.42308,0.46528,0.74074,0.0422,0,-0.0422,0.05509,0.60209,0.1122,0,0.6087,0.3913,0,3.75,0.46875,3.75,0.46875,0,0,-3.75,-0.46875,0,0,8.56222,1.07028,9.55523,0.99302,0.12413,3.28294,0.41037,3.5534,0.27046,0.03381,0.3606,0.04508,0.3606,0.04508,0,7.01,1,1,1,1,1,1,1,1.099483982,1.726489212,2.29248125,2.29248125,2.101441146,1.420614063,26.38761556,41.43574108,55.01955001,55.01955001,50.43458751,34.09473751,0.239802175,0.376554707,0.5,0.5,0.458333333,0.309842024,3.485478519,2.858473289,2.29248125,2.29248125,2.483521355,3.164348438,0.243057129,0.381665871,0.506786747,0.506786747,0.464554518,0.314047663,9.670323248,14.72268506,15.293106,15.293106,13.00062475,6.167457095,29.54361368,23.14733818,23.57894792,23.57894792,22.4327073,17.12838386,8,3.111111111,2.8125,8,0,5,2.12,1.1536,1.889881575,0,6.603854498,0,0,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0.348,0.439,0.435,0.332,0.16,3.433,9,8,4,0,0,0,0,0,0,36,2.079441542,2.302585093,2.197224577,1.609437912,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,7,1,0,2,4,1,2.5,1.333333333,0.5,0,0,0,0,0,0,0,0.357142857,0.148148148,0.0625,0,0,0,0,0,0,0,0.567791005,16.80790048,24.2720021,33.61580097,4.201975121,16.80790063,1.12E-17,1.40E-18,-31.22250001,3000010.529,375001.3161,11.93130108,20.23,138.4185778,4,3.496507561,4.204692619,4.976733742,5.713732806,6.487684018,7.229113878,8.004031508,8.746239288,9.521421538,73.38015696,2.708050201,0,3.931825633,0,5.332718793,0,6.801283034,0,8.297792626,8.554681636,116.1201151,4.83833813,14.33508904,1.79188613,2.406694893,2.406694893,0,65,8,1.694,32,1.225086957,2.122321915,2.900846504,3.462656003,4.130658972,4.961617097,0,0,0,0,78.47908308,93.80402242,97.8708446,59.57300482,29.86193648,5.041320514,0,0,0,0,273.3612548,345.20806,383.8714272,322.1305131,321.9713039,154.2256378,0,0,0,0,9.161889003,15.51174422,21.34301539,25.52834452,28.6753689,33.33444585,0,0,0,0,2.019873764,2.697497885,3.141012777,2.868252186,3.384469232,2.20599899,0,0,0,0,178.4547259,332.1113427,463.8939349,593.0894512,690.2570469,917.4905839,0,0,0,0,3.03010628,4.404302199,7.293599174,7.798647789,6.444685396,4.961617097,0,0,0,0,0.435339417,0.594756332,0.723266492,0.672578992,0.741389515,0.508069591,0,0,0,0,363.2244958,244.9048858,13.12755308,126.2893576,-85.1508669,-14.76114441,236.9351382,330.0557527,27.88869748,0.742010657,0.500302257,0.026817531,0.257989343,-0.173949861,-0.030154702,177.8034226,119.8843344,6.426119092,61.82039008,-41.68252898,-7.225784679,0.311669687,0.581310687,5.812292678,14.07180812,446.6579317,42.85592165,0.912452076,0.087547924,470.1693138,21.68338797,7.77591361,633.5057871,25.16954086,8.588490946,870.6500148,29.50677913,9.548779628,1.404310375,1.404310375,413.1289612,351.95986,172.5731805,1.173795674,2.39393491,2.039481796,3.98038288,3.22022378,6.424248771,0.99496967,4.897845711,6.073901147,3.86879202,22.01466439,7.072078284,11.1001461,8.972568589,12.7364246,4.238660333,6.905147207,1.605945921,1.126710556,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.430947302,6.200672142,0.268872469,8.828315293,1.714754654,1.401621684,0.418828344,0.630793331,1.05746127,0.085778441,0.011311877,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.271701343,5.964455018,0.81345813,10.43075586,1.956189662,2.602088979,1.318605884,2.194738307,1.432440038,0.602231232,0.117870089,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.846124884,6.200425149,3.79300263,22.08300784,6.66777115,10.27659083,8.274307632,11.79001025,3.946845958,6.177938327,1.430869639,1.00387882,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.807352978,5.874706802,1.190060022,11.63991929,2.386263883,3.646868743,2.155986661,3.508362872,1.771317869,1.216721603,0.256026956,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.095488213,6.15418348,5.06492469,26.65435544,9.453708869,14.63903861,12.39145196,17.06260417,5.429326096,9.949351807,2.342117712,1.643201455,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,4.115741438,5.632160236,2.680482969,20.13762334,4.798846789,6.492708154,4.1113447,6.166520142,2.83609565,2.514074939,0.546472438,0.383394564,2.73E-15,3.75E-51,9.94E-109,5.08E-188,5.01E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.513192644,1.307117127,1.012832116,0.602281363,0.224084576,0.538012349,0.459422719,0.515690669,5.833141887,9.474318819,19.95854204,0.403422044,1.513125737,2.553558258,1.037896805,0.479672476,0.627236124,0.254940872,0.285244009,0.293004153,0.115097154,4.071127539,4.3730521,9.715469972,0.440854186,0.693345316,3.05660277,1.043814406,0.715518866,0.634685084,0.21674175,0.407370384,0.296282702,0.261062226,4.815936042,6.124451852,13.22326944,0.452027626,0.964715312,3.443010527,1.327503291,0.986501133,0.598054818,0.230588821,0.516835557,0.473480904,0.486211572,5.757014952,9.276725094,19.54264983,0.397082227,1.476528032,3.257354954,1.07768731,0.818907285,0.632011416,0.209099313,0.462446106,0.316692272,0.344546577,5.153949548,7.060407787,15.08905774,0.448017124,1.123684955,3.554003421,1.349543591,1.045280283,0.597429249,0.226858761,0.550604732,0.488834798,0.546781606,5.948827295,9.921863547,20.88415041,0.396143873,1.586221136,3.458171549,1.328713076,0.9901562,0.598606043,0.229998907,0.521430768,0.474414387,0.490025719,5.777040825,9.334681246,19.66140838,0.397909065,1.485870873 +UMLYSI0242,L,2-methyl-2-hexanol,CCCCC(C)(C)O,saturated alcohols,C7H16O,625-23-0,12240,PubChem,,41.8,0,-0.1353,0.01830609,32.5063,23.790688,0,0,24,8,16,0,7,0,1,0,0,0,0,0,0,0,1282.073872,1255.482027,1720.625397,1275.673945,914.764416,702.766727,219.998016,21.337344,0,3678.349,4646.893789,6346.50041,6530.177067,5014.832596,3541.778085,2172.789327,652.758633,0,173.630752,171.512628,312.55422,423.552748,441.73524,278.07338,215.001216,141.087744,0,27.27931048,35.31067264,50.58474968,56.40399386,48.15927684,32.46855441,22.30496066,9.336871002,0,4031.694211,3396.131957,6808.503996,9324.518526,10872.08924,6619.369302,5134.993079,3883.270693,0,72.3125,54.875,93.875,133.375,98,74.25,58,21,0,53.41974467,54.58617509,40.01454412,22.38024465,14.5200701,18.01965967,7.3332672,1.016064,0,153.2645417,202.0388604,147.5930328,114.56451,79.6005174,90.81482268,72.42631089,31.08374443,0,7.234614667,7.457070783,7.268702791,7.430749965,7.011670476,7.130086667,7.1667072,6.718464,0,1.136637937,1.535246636,1.176389527,0.989543752,0.764432966,0.832527036,0.743498689,0.444612905,0,167.9872588,147.6579112,158.3373022,163.5880443,172.572845,169.727418,171.166436,184.917652,0,3.013020833,2.385869565,2.183139535,2.339912281,1.555555556,1.903846154,1.933333333,1,0,0.223194554,-0.120690378,0.058687576,-0.09462949,0.043254546,0.013112933,-0.036560127,0.025227664,0,719.4334713,-66.68627803,120.0452195,-675.4081614,227.1248251,6.402152417,-279.8583318,308.6638386,0,1116.273633,-77.08945916,-36.22062149,-847.2815319,323.3031871,-16.6510243,-379.3796978,475.1823312,0,1.103039333,-0.085166694,0.182663194,-0.676188417,0.108213083,-0.023929583,-0.224075833,0.166964583,0,4.928582618,-0.238116022,-0.920997073,-2.800229196,1.157644414,-0.188295529,-1.342132673,1.86783477,0,27.13388615,-1.139693072,-6.2724076,-13.72427546,5.808887289,-1.237276296,-6.745204156,9.743026219,0,24.8515625,-5.110351563,8.049804688,-15.81933594,1.452148438,1.959960938,-6.423828125,3.465820313,0,0.009299773,-0.005247408,0.001364827,-0.001660166,6.87E-04,3.36E-04,-0.001218671,0.001201317,0,29.97639464,-2.899403393,2.791749291,-11.84926599,3.605155954,0.164157754,-9.328611061,14.69827803,0,46.51140137,-3.351715616,-0.842340035,-14.86458828,5.13179662,-0.426949341,-12.64598993,22.62773006,0,0.045959972,-0.0037029,0.004247981,-0.011862955,0.001717668,-6.14E-04,-0.007469194,0.007950694,0,0.205357609,-0.010352871,-0.021418537,-0.049126828,0.018375308,-0.00482809,-0.044737756,0.088944513,0,1.130578589,-0.049551873,-0.145869944,-0.240776762,0.09220456,-0.031725033,-0.224840139,0.463953629,0,1.035481771,-0.222189198,0.18720476,-0.277532209,0.023049975,0.050255409,-0.214127604,0.165039063,0,-0.56425116,0.14675921,-0.178516882,0.073827618,0.036154542,-0.131043081,0.12917706,0,-0.096722886,0.09313159,-0.395286562,0.120266496,0.005476234,-0.311198567,0.490328414,0,-0.072062237,-0.018110399,-0.319590205,0.110334165,-0.009179456,-0.271890108,0.486498566,0,-0.080567929,0.092427847,-0.258114923,0.037373129,-0.013350292,-0.162515208,0.172991716,0,-0.050413864,-0.104298724,-0.23922575,0.089479558,-0.023510648,-0.217852925,0.433120123,0,-0.043828773,-0.129022383,-0.212967736,0.081555197,-0.028060883,-0.198871746,0.410368314,0,-0.214575673,0.18079001,-0.268022303,0.022260146,0.048533359,-0.206790318,0.159383842,0,1.494077959,0.608223313,1.633167218,0.729225128,0.861404214,1.247184879,0.259075203,0,1.429336028,1.007847065,1.527172365,0.670994313,0.885430207,1.197820098,0,0,1.565389987,1.21137496,1.347564096,0.695579882,0.885752868,1.090995305,0,0,1.046221984,0.726199746,1.931266786,0.580372747,0.912165533,1.28300532,0,0,1.609800468,1.324115163,1.272785415,0.700206669,0.890249953,1.021870008,0,0,1.613537024,1.34982156,1.260835927,0.699405486,0.892166772,1.004054126,0,0,1.197107828,0.628206722,1.937755423,0.587156879,0.853561612,1.357392853,0,0,35.7538969,18.00194845,27.91269134,35.9413969,4.492674613,18.0019485,0.25,0.175382813,0.021922852,-1.392627352,32.81797322,4.102246653,2.792781063,35.75700408,18.00313483,27.91403057,35.94395327,4.492994158,18.00313488,0.249265579,0.175326528,0.021915816,-1.392884135,32.82186657,4.102733322,2.792875966,38.59303672,19.09702112,29.18299922,38.29379086,4.786723857,19.09702113,-0.398994478,0.119312953,0.014914119,-1.700804303,39.1285063,4.891063288,2.93348101,35.76026538,18.00438009,27.91543634,35.94663648,4.49332956,18.00438014,0.2484948,0.175267442,0.02190843,-1.393153783,32.82595698,4.103244622,2.792975659,41.73962311,20.32866442,30.73155803,40.92790241,5.115987802,20.32866443,-1.082294264,0.039552915,0.004944114,-2.584092709,74.95032219,9.368790274,3.453460419,36.08055183,18.12684301,28.05405409,36.21040247,4.526300309,18.12684305,0.173134186,0.169419741,0.021177468,-1.420300776,33.24840505,4.156050631,2.803205438,42.50367368,21.50302732,34.31137012,42.8804594,5.360057425,21.50302732,0.502380952,0.175409663,0.021926208,-1.392504889,41.83378183,5.229222728,2.986963353,0,11.99632008,15.99794276,-0.415286446,0.085358146,5.127591509,7.959597809,7,23,23,23,7,0,0,0,0,0,17.491312,3.55229784,3.17796631,2.537125477,2.333552793,2.049062529,1.781629854,1.24663596,0.403720662,1.898139765,1.680180975,1.307462756,1.249629723,0.882144252,0.606254836,0.538688652,0.083923071,3.545293771,3.194725301,2.591047462,2.405454588,1.953127448,1.697350929,1.350943002,0.508130804,1.855740829,1.617541631,1.205339518,1.134540686,0.775911272,0.626583123,0.419219828,0.270913902,3.677707109,3.367293036,2.83584408,2.704236987,2.359340088,2.189955568,1.817149803,0.961666443,1.674754878,1.381333643,0.881612001,0.76031856,0.339555597,0.051676811,0.114150146,0.943918427,3.555962091,3.215984465,2.632202944,2.457539916,1.997206501,1.663569008,1.42398643,0.589601127,1.830475749,1.57693897,1.138538584,1.058262671,0.736475817,0.601822121,0.318358329,0.399277246,3.72410917,3.438419341,2.948899043,2.838982085,2.461968856,2.303825311,2.011021209,1.207644823,1.628264701,1.313231232,0.774226166,0.631337262,0.202673005,0.043983886,0.299338494,1.142084806,4.288086991,3.399451854,3.102252225,2.725266189,2.65109474,2.045123239,1.551216035,0.644862563,1.78148561,1.456772447,1.014881209,0.863860697,0.543054483,0.195425141,0.192806602,0.595744681,0,0,0,0,0,3,3,1,0,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,0.893387954,0.158113883,0,0,0.75,0.780330086,0.707106781,0.473606798,0.446693977,0.41394752,6.621320344,3.560660172,3.664213562,1.280330086,0.707106781,0.530330086,0,0,0.827665043,0.508665739,0.40713484,0.256066017,0.176776695,0.176776695,0,0,6.068533939,3.28426697,2.91598765,1.142133485,0.609387027,0.432610332,0,0,0.758566742,0.469180996,0.323998628,0.228426697,0.152346757,0.144203444,0,0,12.04942153,23.43335761,22.15294118,22.48,13.86867545,185.6378671,0.502059231,0.9763899,0.923039216,0.936666667,0.577861477,7.734911128,1.9475,35.8228,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,56,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.486388889,0,9.14875,0,0,0,0,0,0,0,0,0,0,0.486388889,0,0,0,0,0,0,0,0,0,0,0,0,0,1.663611111,0,0,0,0,0,0,0,0,0,0,0,5.830416667,0,3.219236111,0,0,0,0,0,0,0,0,0,-0.448402778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.14875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.486388889,0,9.14875,0,0,0,0,0,0,0,0,0,0,0.486388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.227777778,0,0,0,0,0,0,0,0,0,0,0,1.849861111,0,0.920138889,0,0,0,0,0,0,0,0,0,-0.448402778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.14875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.486388889,0,9.14875,0,0,0,0,0,0,0,0,0,0,0.486388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,2.130694444,0,1.170625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.14875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.75,2.21875,0.486388889,9.14875,0.227777778,-0.448402778,3.960553125,1.698402778,3.14875,6.558888889,1.698402778,3.14875,6.558888889,3.83333,0.47917,0,0.02083,0.46528,0.79583,0.42308,0.46528,0.74074,0.0422,0,-0.0422,0.05509,0.60209,0.1122,0,0.47826,0,0.13043,3.75,0.46875,3.75,0.46875,0,0,-3.75,-0.46875,0,0,8.27514,1.03439,9.21764,0.9425,0.11781,3.29751,0.41219,3.56066,0.26315,0.03289,0.35334,0.04417,0.35334,0.04417,0,7.01,1,1,1,1,1,1,1,1.099483982,1.746915253,2.666666667,3.209147917,2.954986856,2.680827083,26.38761556,41.92596608,64,77.01955001,70.91968454,64.33985,0.239802175,0.381009714,0.581611445,0.699928934,0.644495316,0.584699893,3.485478519,2.838047247,1.918295834,1.375814584,1.629975645,1.904135417,0.243057129,0.386181348,0.589505945,0.709429416,0.65324337,0.592636314,9.670323248,14.96779755,19.33427775,17.7032308,16.87681031,15.14865647,29.54361368,22.72252567,18.81127812,20.26428594,22.05024782,15.31127812,8,3.111111111,7.2,8,0,6,2.12,1.1536,0.814325285,3.639717277,0,1.889881575,2.381101578,0,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.436,0.422,0.37,0.184,3.705,9,5,4,3,0,0,0,0,0,36,2.079441542,2.302585093,1.791759469,1.609437912,1.386294361,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,3,0.666666667,0.375,0.24,0,0,0,0,0,0,0.428571429,0.074074074,0.075,0.06,0,0,0,0,0,0,0.637645503,18.41326332,28.3813006,36.82652664,4.60331583,18.41326335,0.155407206,0.019425901,-1.489365175,34.42330358,4.302912948,2.830987012,20.23,138.4185778,4,3.496507561,4.110873864,4.934473933,5.579729826,6.408528791,7.065613364,7.89469085,8.556990661,9.385721231,72.43313008,2.708050201,0,3.931825633,0,5.303304908,0,6.736966958,0,8.201111644,8.467792841,116.1201151,4.83833813,14.44048295,1.805060369,2.340609217,2.340609217,0,71,5,2.297,32,1.225086957,2.12261363,2.89196447,3.46685294,4.461389119,5.475668893,6.156595011,0,0,0,78.47908308,95.92345408,71.61720741,62.26865511,95.26881915,42.43786017,6.255494553,0,0,0,273.3612548,339.4060472,349.6431905,310.4597607,450.4831111,413.6737911,191.3700259,0,0,0,9.161889003,15.53744574,21.52597148,24.38609632,32.01572917,39.32926099,41.36286194,0,0,0,2.019873764,2.641781849,2.969100286,2.86757329,3.998687189,4.207167586,2.737301592,0,0,0,178.4547259,332.1224935,470.6473437,591.2631926,747.4341969,930.7951909,1138.463094,0,0,0,2.961353261,4.921599992,6.845954714,5.562895671,9.023099191,10.79968701,6.156595011,0,0,0,0.435339417,0.591231526,0.680623688,0.643488128,0.910399433,0.971427094,0.630435329,0,0,0,382.2089439,251.9488029,14.10348229,171.1863082,-112.8445216,-17.42884632,211.0226357,364.7933245,31.5323286,0.690661769,0.455278216,0.025485369,0.309338231,-0.203913064,-0.031494391,211.5126148,139.4272713,7.804800134,94.73369016,-62.44762247,-9.645040801,0.319313257,0.591344311,7.607780761,13.48949248,506.7582355,46.63701657,0.915725666,0.084274334,470.1693138,21.68338797,7.77591361,633.5057871,25.16954086,8.588490946,826.8313743,28.7546757,9.385822048,1.797339331,1.797339331,556.5305204,548.5812568,123.9497687,1.014490586,4.489968205,4.42583526,4.262477651,4.466158665,7.63628977,0.709811572,4.897845711,6.073934812,3.098028565,20.65918147,10.67868161,5.461956686,4.611112996,13.29660501,5.285209924,3.829658704,3.852612213,0.410757473,1.952300582,1.267677768,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.430947302,6.200672379,0.191813257,7.710919264,0.986102414,0.117562333,0.427931255,0.632483736,2.116597349,0.113508389,0.175310499,0.010595825,0.130750194,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.271701343,5.964457489,0.66412115,8.734469279,1.843756536,0.589846621,1.05205399,2.253286033,2.479673921,0.49390306,0.522871397,0.037402441,0.443883397,0.093040376,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.846124884,6.200455144,2.877339636,20.20683966,10.06762542,4.948805319,4.274624839,12.32263522,5.068668987,3.489815609,3.809755891,0.366846939,1.820026094,1.129478069,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,1.807352978,5.874712169,1.024246691,9.821961612,2.688051324,1.089400792,1.548758816,3.616428459,2.802621601,0.861880933,0.798772879,0.072097838,0.676264037,0.202096129,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,6.095488213,6.154232577,3.963716744,25.90929955,14.7955686,7.74060039,5.95138474,17.85241626,6.462103455,5.324706127,5.459614884,0.595380333,2.465625438,1.848788887,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,4.193757448,5.85789749,1.403235947,18.00700996,6.847916954,2.41636293,2.332376803,6.998363226,4.047104869,1.731149383,3.263487513,0.154187555,1.233017562,0.449913703,1.28E-06,2.84E-33,1.22E-81,1.01E-151,1.60E-243,0,0,0,0,0,0,0,0,0,0,0,5.193931726,1.101411669,0.755194385,0.73667171,0.156216689,0.526167752,0.442911564,0.370459785,7.050537781,10.474865,21.84561084,0.605007566,1.3395391,4.265731909,0.571207229,0.518339988,0.796547072,0.106662457,0.362668205,0.149558477,0.167263052,5.355279126,4.943795878,11.56207098,0.694820608,0.679489733,4.716350115,0.804537147,0.533881478,0.778948019,0.13287661,0.43543355,0.238077392,0.19035069,6.054768741,6.741978321,14.82254905,0.668422028,0.863861632,5.131986984,1.07313217,0.777142385,0.735003545,0.153694067,0.514200859,0.420626641,0.397657093,6.982261539,10.32956143,21.59177948,0.602505318,1.332484593,4.909919825,0.911228628,0.555986447,0.769925664,0.142889972,0.470665195,0.304308586,0.201510968,6.3771349,7.710539149,16.57519049,0.654888497,0.976484749,5.240287766,1.133360893,0.792068969,0.731299786,0.158164325,0.535542323,0.468717564,0.407641634,7.165717628,10.98750654,22.85743046,0.596949679,1.41190152,5.151340752,1.077230411,0.776890635,0.735332074,0.153770079,0.518005643,0.423721226,0.396918759,7.005461798,10.38809952,21.70466801,0.602998111,1.338645627 +UMLYSI0243,L,5-nonanone,CCCCC(=O)CCCC,saturated alkanone,C9H18O,502-56-7,10405,PubChem,,41.8,0,-1.2436,1.54654096,37.8882,28.644274,0,0,28,10,18,0,9,0,1,0,0,0,0,0,0,0,1572.634242,1564.204541,1769.582233,1657.654752,1460.898023,1264.141294,759.674667,478.348754,281.592025,4587.550292,5756.123811,7385.180741,7328.111807,6321.313462,5314.515117,4200.896517,3075.021321,2068.222976,202.148712,198.475388,367.001908,476.37096,413.48606,350.60116,288.1875,249.09716,186.21226,33.74633629,43.69433758,60.94266416,62.95246534,53.93093648,44.90940762,36.95446035,30.05967844,21.03814958,4655.118227,3923.904036,8006.935405,10967.0704,9488.115242,8009.160087,6466.706412,6095.657421,4616.702266,91.27777778,61.66666667,98.41666667,134.1666667,122.0833333,114.5,91.25,49,37,56.16550864,57.93350152,34.69769084,25.11598109,25.62978988,26.33627696,19.47883762,13.28746539,10.42933426,163.8410819,213.1897708,144.8074655,111.0319971,110.9002362,110.7190649,107.7152953,85.41725893,76.60085098,7.219596857,7.350940296,7.196115843,7.217741818,7.254141404,7.304190833,7.389423077,6.919365556,6.89675037,1.205226296,1.618308799,1.194954199,0.953825232,0.94615678,0.935612659,0.947550265,0.834991068,0.779190725,166.2542224,145.3297791,156.9987334,166.1677333,166.4581621,166.8575018,165.8129849,169.3238172,170.9889728,3.259920635,2.283950617,1.929738562,2.032828283,2.141812865,2.385416667,2.33974359,1.361111111,1.37037037,0.139917589,-0.045289853,-0.015079481,-0.014477448,0.004650787,0.035194418,-0.041059598,0.003138958,-6.22E-05,850.0347219,-48.03777086,-160.0948736,-7.782076378,-9.253965281,-10.72585418,-431.6996929,32.58554918,31.11366028,1367.240348,-97.12506318,-445.7549762,2.207103318,2.010962046,1.814820773,-427.0222996,14.07467831,13.87853704,1.127262857,-0.004431755,0.077897224,-0.12177502,-0.133500816,-0.145226612,-0.510976408,0.080255184,0.068529388,6.076807391,-0.456866205,-2.412795837,-0.019436158,-0.019891655,-0.020347151,-0.94875952,-0.040999619,-0.041455116,33.4170586,-2.519512673,-13.79851578,-0.216493935,-0.223822298,-0.231150661,-3.657960386,-0.37100402,-0.378332383,35.08333333,-0.3125,1.020833333,-5.375,-5.770833333,-0.25,-13.22916667,2.25,1.9375,0.004997057,-0.001677402,-2.96E-04,-2.19E-04,8.16E-05,7.33E-04,-0.00105281,8.72E-05,-2.30E-06,30.35838292,-1.779176699,-3.139115169,-0.117910248,-0.162350268,-0.223455295,-11.0692229,0.905154144,1.152357788,48.83001241,-3.597224562,-8.740293651,0.033440959,0.035280036,0.037808766,-10.94928973,0.390963286,0.51401989,0.040259388,-1.64E-04,0.001527397,-0.001845076,-0.00234212,-0.003025554,-0.013101959,0.002229311,0.002538125,0.217028835,-0.016920971,-0.047309722,-2.94E-04,-3.49E-04,-4.24E-04,-0.024327167,-0.001138878,-0.001535375,1.193466379,-0.093315284,-0.270559133,-0.003280211,-0.003926707,-0.004815639,-0.093793856,-0.010305667,-0.01401231,1.25297619,-0.011574074,0.02001634,-0.081439394,-0.10124269,-0.005208333,-0.339209402,0.0625,0.071759259,-0.335677987,-0.059170051,-0.043896894,0.016328162,0.146729782,-0.210686061,0.017448924,-4.61E-04,-0.05860578,-0.103401923,-0.003883944,-0.00534779,-0.00736058,-0.36461833,0.029815624,0.037958471,-0.073668311,-0.178994295,6.85E-04,7.23E-04,7.74E-04,-0.224232786,0.008006619,0.01052672,-0.004077039,0.037938892,-0.04582971,-0.058175738,-0.075151526,-0.32543861,0.055373685,0.063044314,-0.077966462,-0.217988187,-0.001356904,-0.001607972,-0.001953192,-0.112091866,-0.00524759,-0.007074519,-0.078188448,-0.226700255,-0.002748474,-0.00329017,-0.004035002,-0.078589441,-0.008635071,-0.011740851,-0.009237266,0.015975036,-0.064996761,-0.080801767,-0.00415677,-0.270722943,0.049881235,0.057271048,1.154901551,0.841872446,1.177658622,1.262628242,1.354100395,1.767467025,0.246492729,0.253766028,1.291178025,1.140925609,0.981403857,1.001433621,1.028974547,1.436507737,0.7477301,0.712123904,1.494522204,1.320919219,0.935926291,0.927712093,0.916417571,1.152709181,0.864455853,0.823291288,0.555040021,0.554275233,1.229693831,1.403924737,1.643492233,2.209080285,0.110452499,0.105192857,1.552547244,1.380834349,0.933964663,0.924532191,0.911562542,1.038171058,0.869490697,0.828086378,1.555544051,1.387216962,0.938098138,0.931232771,0.921792891,1.019355719,0.858881446,0.81798233,0.541567696,0.545759396,1.255452386,1.444680585,1.60466152,2.210122419,0.074821853,0.078384798,59.93252318,30.09126159,46.67298033,60.13252318,6.013252318,30.09126159,0.25,7.77E-16,7.77E-17,-34.79089042,3000019.329,300001.9329,14.91412929,59.9342759,30.09177074,46.67348948,60.13368836,6.013368836,30.09177074,0.249265579,8.88E-16,8.88E-17,-34.65735903,3000019.329,300001.9329,14.91412929,61.5059915,30.55349851,47.13521725,61.18679592,6.118679592,30.55349851,-0.398994478,5.00E-16,5.00E-17,-35.23272317,3000019.329,300001.9329,14.91412929,59.93611545,30.09230512,46.67402386,60.13491129,6.013491129,30.09230512,0.2484948,1.67E-16,1.67E-17,-36.33133546,3000019.329,300001.9329,14.91412929,63.21106977,31.06438775,47.64610649,62.34523436,6.234523436,31.06438775,-1.082294264,5.55E-16,5.55E-17,-35.12736266,3000019.329,300001.9329,14.91412929,60.11632225,30.14472822,46.72644696,60.2548296,6.02548296,30.14472822,0.173134186,1.67E-16,1.67E-17,-36.33133546,3000019.329,300001.9329,14.91412929,65.29092746,32.6602124,51.11134478,65.67568937,6.567568937,32.6602124,0.641269841,1.28E-15,1.28E-16,-34.29445353,3000019.373,300001.9373,14.9141293,0,11.89,15.99491689,-0.299200727,0.132706539,4.586806109,7.411074871,9,27,26,26,8,1,1,0,0,1,20.635726,3.591308449,3.293101695,3.068557084,2.575531306,2.321931199,1.759359301,1.681437607,1.226735004,1.896926037,1.788607438,1.533565676,1.320282095,0.997584086,0.837753104,0.609763605,0.566353487,3.564571652,3.327366954,3.053640763,2.629759571,2.281629145,1.845382634,1.63299415,1.338291939,1.858828619,1.718100381,1.482407502,1.220685282,0.921057006,0.705472272,0.492295284,0.412887556,3.697149733,3.476869653,3.243802612,2.862981141,2.579381674,2.201803,2.050018263,1.803255548,1.682785428,1.506432068,1.233156067,0.908182925,0.556885182,0.26821579,0.011886357,0.113595148,3.569939014,3.352557552,3.065987645,2.669494685,2.298180231,1.907707617,1.650713925,1.422104473,1.837857892,1.672812438,1.450979932,1.155529416,0.878069002,0.617228045,0.43672737,0.309185444,3.7358749,3.548797436,3.30600269,2.972328688,2.66783739,2.361009518,2.164027754,2.001016242,1.641295668,1.439200858,1.170231074,0.80489372,0.461521915,0.115186524,0.117423543,0.306708511,4.97976662,3.42989401,3.396660945,2.912980679,2.767465823,2.168356894,2.009824672,1.594184649,1.74870451,1.61589181,1.255243933,1.02969321,0.637756877,0.478828489,0.198077243,0.153697228,0,0,0,1,0,2,6,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.102062073,0,0,0,0.40824829,0.433012702,0.49279928,0.144337567,0.153093109,0.174230856,7.819990956,4.808060412,3.389628766,2.100953631,1.249509283,0.90104757,0.276292929,0.144337567,0.781999096,0.534228935,0.376625418,0.262619204,0.178501326,0.150174595,0.092097643,0.072168784,7.150888978,4.325444489,2.745781916,1.618337708,0.872890958,0.571114263,0.239276695,0.125,0.715088898,0.480604943,0.30508688,0.202292213,0.124698708,0.09518571,0.079758898,0.0625,14.59124934,27.32119446,25.87843137,26.24,16.66722994,215.4088168,0.521116048,0.975756945,0.924229692,0.937142857,0.595258212,7.693172027,2.9359,44.057,31.09689182,47.67861055,62.19378363,6.219378363,31.09689182,1.72E-15,1.72E-16,-33.99596055,3000019.329,300001.9329,14.91412929,105,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,2,0,0,0,0,0,0,0,0,0,0,2,0,6,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.96083333,0.44787037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.435277778,0.802777778,0,0,0,0,0,0,0,0,0,0,4.236310941,0,6.021652022,0,0,0,0,0,0,0.44787037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.96083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.96083333,0.44787037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.244722222,0.401388889,0,0,0,0,0,0,0,0,0,0,2.118155471,0,0.802083333,0,0,0,0,0,0,0.44787037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.96083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.96083333,0.44787037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.118155471,0,1.136770833,0,0,0,0,0,0,0.44787037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.96083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.66666667,2.166666667,0.401388889,10.96083333,0.244722222,0.44787037,4.669372879,1.218796296,3.960833333,8.394288549,1.218796296,3.960833333,8.394288549,4.83333,0.48333,0,0.01667,0.47024,0.77667,0.425,0.47024,0.77667,0.04524,0,-0.04524,0,0.62232,0.09197,0,0.27586,0.10345,0,6.25,0.625,4.75,0.475,1.5,0.15,-3.25,-0.325,0,0,9.28768,0.92877,11.47496,2.18728,0.21873,4.11989,0.41199,4.80805,0.68816,0.06882,0.10595,0.01059,0.10595,0.01059,0,9.01,1,1,1,1,0,0,0.888888889,1.107784385,1.698117421,2.824862958,3.110577243,3.110577243,2.770942422,31.01796278,47.54728779,79.09616281,87.09616281,87.09616281,77.58638781,0.230435323,0.353233212,0.587612732,0.647045474,0.647045474,0.576396473,3.699570537,3.109237501,1.982491964,1.696777679,1.696777679,2.0364125,0.230435323,0.353233212,0.587612732,0.647045474,0.647045474,0.576396473,9.474970853,16.55896729,19.26484035,19.55279036,19.55279036,15.4771725,37.17060982,25.93176328,24.05012723,23.12743589,23.12743589,30.48126477,10,7.111111111,7,10,1,9,2.34,1.3924,0.125,3.651344599,0.5,0,6.120463943,3.301927249,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,4.885,9,8,7,6,3,2,1,0,0,55,2.397895273,2.48490665,2.397895273,2.302585093,2.197224577,1.386294361,1.098612289,0.693147181,0,0,4.17438727,1.163636364,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0.666666667,8,0.888888889,0,4,8,1,1.5,0.666666667,0.375,0.24,0.055555556,0.040816327,0.03125,0,0,0,0.166666667,0.074074074,0.046875,0.034285714,0.009259259,0.013605442,0.015625,0,0,0,0.360391156,31.09689182,47.67861055,62.19378363,6.219378363,31.09689182,1.72E-15,1.72E-16,-33.99596055,3000019.329,300001.9329,14.91412929,17.07,170.3740883,4.321928095,3.610917913,4.262679877,4.96284463,5.645446898,6.354370041,7.048386409,7.760040681,8.458504195,9.171079658,76.2742703,2.944438979,0,4.007333185,0,5.231108617,0,6.532334292,0,7.878155337,8.186742787,142.1357652,5.076277328,18.65246657,1.865246657,2.485641514,2.485641514,0,149,8,2.967,36,1.236962963,2.135677555,2.879363717,3.625915462,4.967350951,6.003802962,7.242513201,8.267783553,9.578852975,10.4562829,82.53193165,83.01473918,83.1399144,114.6729263,147.1433858,133.6657724,109.6346066,97.65597635,47.26193163,10.62425263,289.3556322,332.1238262,349.4064989,467.6977355,598.7758925,704.9367318,662.6443404,679.5249839,580.8066575,325.0204253,9.125114217,15.44601793,20.85161631,26.34494604,36.32606457,44.25382504,50.23646831,57.18025423,65.70586185,70.25016023,2.141797697,2.684363936,2.920348498,3.860915145,4.959319091,6.103016692,6.333515734,6.765521927,6.522375364,4.648998314,177.5632613,331.689989,474.7781042,589.2741872,819.7418237,981.1194317,1217.152875,1401.429461,1663.712456,1933.551283,2.884197531,4.294463193,5.975786495,7.830359478,11.90620817,13.73523682,10.09932231,11.69353983,12.9625986,10.4562829,0.452805556,0.586037175,0.655750461,0.867631032,1.135280172,1.376754625,1.37132762,1.474086749,1.446477943,1.070723369,436.7188816,277.1095178,11.88620255,169.199169,-107.3612846,-16.94005298,267.5197126,384.4708024,28.82625553,0.720755688,0.457338278,0.019616848,0.279244312,-0.177187797,-0.027957664,264.6158534,167.9056588,7.20206468,102.5208307,-65.05214027,-10.26428388,0.209037069,0.471486731,0.946646484,13.19914088,577.9233267,27.99472395,0.953797838,0.046202162,630.5403057,25.11056164,8.575068888,804.9069552,28.37088217,9.30211905,1069.845484,32.70849254,10.22759886,3.143191521,3.143191521,1428.398613,1368.957426,86.15828213,1.043420771,16.57877313,15.88886631,4.941486478,5.609821028,11.20847554,0.998009471,5.033424998,7.675290027,2.73685696,23.42052611,9.904974076,0.144493471,4.650601358,12.07556537,10.32036224,4.876840782,0.033501165,12.82759468,11.10105811,2.66136488,7.146257294,2.005118656,3.646752829,6.705823066,0.588247337,3.952995051,1.450174181,4.07E-04,1.24E-27,7.23E-73,8.16E-140,1.78E-228,0,0,0,0,0.438914246,7.674981619,0.187803175,7.52398034,0.270825499,0.001383541,0.988090798,0.695221984,5.956757034,0.142427278,0.006572036,0.681409417,0.43713911,1.361618329,0.341242121,0.175371532,0.22819915,0.249021448,0.074399194,0.331746585,0.010213695,2.87E-06,8.70E-30,5.09E-75,5.75E-142,1.25E-230,0,0,0,0,1.369490765,7.674885019,0.633844486,8.345220653,0.995684613,0.011146654,1.636520336,1.977712038,5.539420953,0.613477311,0.0120379,2.324083189,1.736970012,1.578992657,1.271900052,0.548667264,0.785001562,1.010592939,0.108735499,1.070919008,0.10643458,2.99E-05,9.07E-29,5.31E-74,5.99E-141,1.30E-229,0,0,0,0,4.756253446,7.67531472,2.554530527,22.71698883,9.45129725,0.128852197,4.482371465,12.11624666,10.53885053,4.463149502,0.031949182,11.78804492,10.13800164,2.564838696,6.567495681,1.893033982,3.387591257,6.11370663,0.531831296,3.731304252,1.292079087,3.63E-04,1.10E-27,6.44E-73,7.27E-140,1.58E-228,0,0,0,0,2.010801988,7.674871233,0.962091663,9.45491205,1.716075452,0.023623411,2.115783749,2.886764818,5.690180079,1.070888879,0.015771964,3.700137504,2.889633625,1.742445219,2.046873246,0.804980881,1.209093972,1.698594384,0.153254365,1.578338176,0.231190131,6.50E-05,1.97E-28,1.15E-73,1.30E-140,2.83E-229,0,0,0,0,6.078612651,7.675503062,3.441766065,30.89005342,14.3620122,0.210218566,5.532177745,16.72053408,12.31600937,6.810998312,0.039685778,17.01263012,15.0190531,3.03801087,9.473275475,2.420195946,4.662946661,9.121655828,0.825469192,4.773816936,2.114942754,5.94E-04,1.80E-27,1.05E-72,1.19E-139,2.59E-228,0,0,0,0,3.208651336,7.225790543,1.51431428,20.19826531,7.556950751,0.054853083,3.570898829,12.44832085,15.73436008,2.47397897,0.020742901,6.527371055,5.059150778,2.023875141,3.403343647,1.136713818,2.357615372,3.373776048,0.301431968,2.97699291,0.546062489,1.53E-04,4.65E-28,2.72E-73,3.07E-140,6.69E-229,0,0,0,0,12.24351403,0.880543295,0.473386725,0.900427609,0.064758001,0.583072573,0.587170994,0.571411935,13.59744405,16.99369871,35.69469863,0.850641413,1.741655502,9.537646031,0.525331728,0.093930533,0.939030437,0.051721618,0.353828579,0.208992008,0.022497317,10.15690829,5.95564894,16.58318941,0.908545655,0.585317904,10.95667963,0.61707626,0.24610074,0.926972295,0.052206747,0.466947849,0.288363845,0.154434027,11.81985663,9.609416772,23.09318681,0.890458443,0.909745721,12.03264213,0.881378081,0.457940325,0.899841283,0.065912405,0.563160845,0.588284809,0.534730472,13.37196054,16.51915765,34.74771594,0.849761925,1.686176126,11.52448758,0.675066839,0.317530349,0.92070061,0.053931634,0.516599157,0.345109343,0.257091452,12.51708476,11.65352816,26.64093534,0.881050915,1.118799952,12.36178751,0.918438471,0.501052629,0.896998592,0.066643923,0.594392055,0.638797631,0.640153092,13.78127862,18.00763337,37.47763367,0.845497888,1.873342778,12.04104765,0.885521128,0.458005929,0.899621237,0.066159826,0.563947923,0.593828437,0.534883692,13.3845747,16.58304724,34.85115692,0.849431855,1.692660053 +UMLYSI0244,L,2-ethyl-1-butanol,CCC(CC)CO,saturated alcohols,C6H14O,97-95-0,7358,PubChem,,41.7,0,-1.2282,1.50847524,27.7002,20.697102,0,0,21,7,14,0,6,0,1,0,0,0,0,0,0,0,1135.777623,1087.00373,1197.024914,1252.081582,878.761219,222.068448,15.24096,0,0,3192.664609,3993.903654,5158.827299,5412.684074,4471.827133,2280.319559,466.2561665,0,0,152.653308,149.736848,269.497616,343.540552,349.731676,301.885056,100.77696,0,0,23.60118467,30.29468402,42.62577832,46.64573659,40.55227196,24.56612373,6.669193573,0,0,3535.064551,2963.092506,5884.393485,7912.9749,8056.349558,7513.780299,2773.76478,0,0,66.52777778,49.33333333,72.08333333,87.33333333,108,80,15,0,0,54.08464871,54.3501865,32.3520247,26.08503296,18.3075254,5.287344,1.016064,0,0,152.0316481,199.6951827,139.4277648,112.7642515,93.16306527,54.29332283,31.08374443,0,0,7.269205143,7.4868424,7.283719351,7.157094833,7.286076583,7.187739429,6.718464,0,0,1.123865937,1.514734201,1.152048063,0.971786179,0.844838999,0.584907708,0.444612905,0,0,168.3364072,148.1546253,159.0376617,164.8536438,167.8406158,178.8995309,184.917652,0,0,3.167989418,2.466666667,1.948198198,1.819444444,2.25,1.904761905,1,0,0,0.229931305,-0.103416811,-0.039304476,0.043626004,-0.00405305,-0.045551188,0.033733868,0,0,638.6281311,-66.44114433,-168.4094321,39.15996253,-285.3003322,-61.53597943,223.2128599,0,0,965.983639,-78.0117429,-238.0469756,-80.84905051,-531.3902609,110.8575663,334.4486442,0,0,1.082321143,-0.089402612,-0.139741633,0.098471673,-0.201160898,-0.343483429,0.134156327,0,0,4.253148428,-0.249912087,-0.887478714,-0.813478564,-2.481581998,1.017535568,1.288341581,0,0,23.45618849,-1.219488698,-4.55940872,-5.176813339,-13.73935145,6.291487913,6.675480054,0,0,24.14550265,-3.117409927,-3.830435878,1.892290249,-1.118291761,-8.552910053,2.654006047,0,0,0.01094911,-0.005170841,-0.001062283,9.09E-04,-8.44E-05,-0.001084552,0.002248925,0,0,30.41086339,-3.322057216,-4.551606272,0.815832553,-5.94375692,-1.465142367,14.88085733,0,0,45.9992209,-3.900587145,-6.433702044,-1.684355219,-11.07063043,2.639465864,22.29657628,0,0,0.051539102,-0.004470131,-0.003776801,0.002051493,-0.004190852,-0.008178177,0.008943755,0,0,0.202530878,-0.012495604,-0.023985911,-0.01694747,-0.051699625,0.024227037,0.085889439,0,0,1.116961357,-0.060974435,-0.123227263,-0.107850278,-0.286236489,0.149797331,0.445032004,0,0,1.14978584,-0.155870496,-0.103525294,0.039422714,-0.023297745,-0.203640716,0.176933736,0,0,-0.472261278,-0.097020045,0.083009039,-0.007711909,-0.099053907,0.205397937,0,0,-0.109239161,-0.149670406,0.026827011,-0.195448477,-0.048178256,0.489327026,0,0,-0.084796809,-0.139865457,-0.036617038,-0.240669955,0.057380665,0.48471639,0,0,-0.0867328,-0.0732803,0.039804597,-0.081314029,-0.158679072,0.17353339,0,0,-0.06169728,-0.118430886,-0.083678451,-0.255267866,0.11962145,0.424080712,0,0,-0.054589565,-0.110323658,-0.096556857,-0.256263556,0.134111472,0.398430976,0,0,-0.135564808,-0.090038762,0.034287006,-0.020262682,-0.177111866,0.15388408,0,0,1.39521198,0.823127623,0.586415752,1.118778436,1.44507215,0.606512468,0,0,1.420617299,1.221657735,0.913065452,1.172494026,0.863796735,0,0,0,1.575881923,1.316090631,1.052472167,1.155016432,0.567322748,0,0,0,1.044336986,0.887599872,0.630359733,1.286212516,1.530395168,0,0,0,1.628819317,1.32928372,1.109963953,1.161948339,0.456864906,0,0,0,1.633454525,1.323894358,1.118428379,1.166994685,0.443964552,0,0,0,1.106716336,0.893606437,0.623630437,1.238153281,1.558014682,0,0,0,27.48781762,13.86890881,19.10497679,27.66638905,3.952341293,13.86891153,0.25,5.22E-16,7.45E-17,-24.63268659,4000004.229,571429.1756,10.64126418,27.49104125,13.87015341,19.10622139,27.66908809,3.95272687,13.87015613,0.249265579,2.40E-16,3.43E-17,-25.17534427,4000004.229,571429.1756,10.64126418,30.39038574,14.99569563,20.89554991,30.10538968,4.300769954,14.99569643,-0.398994478,0.103975562,0.014853652,-1.584519571,33.12896958,4.732709939,2.450285679,27.49442464,13.87145972,19.1075277,27.67192092,3.95313156,13.87146243,0.2484948,2.09E-16,2.98E-17,-25.27410683,4000004.229,571429.1756,10.64126418,33.53367977,16.22569275,23.59213564,32.76061244,4.680087491,16.22569298,-1.082294264,0.245436596,0.035062371,-0.98330164,27.84089285,3.977270407,2.328554134,27.82606417,13.99959918,19.23566716,27.94973145,3.992818778,13.99960152,0.173134186,4.78E-16,6.82E-17,-24.69428119,4000004.229,571429.1756,10.64126418,30.76855832,15.67432886,22.00269057,31.18265243,4.454664632,15.67432935,0.581018519,4.09E-16,5.84E-17,-24.80314466,4000004.078,571429.1539,10.64126416,0,11.99635526,15.9979425,-0.421303522,0.072349506,4.261214764,7.877253606,6,20,20,20,6,0,0,0,0,0,15.304898,3.515324986,2.902564078,2.79807623,2.078139116,1.598026915,1.400380427,0.88842972,0.083923071,1.894090057,1.563026335,1.344568185,0.929912505,0.769718516,0.428339962,0.331795444,0.083923071,3.524646857,2.950308951,2.73438728,2.062950212,1.695309721,1.306381179,1.003416514,0.270913902,1.844890303,1.473453684,1.308398005,0.843520166,0.630337185,0.386854927,0.178750028,0.270913902,3.654556509,3.155598408,3.018731629,2.421341192,2.090117344,1.863898098,1.526746141,0.943918427,1.663400005,1.195492746,0.971027896,0.416923984,0.162386152,0.220039608,0.396293623,0.943918427,3.540126394,2.985267979,2.743287766,2.093166373,1.765276817,1.312727742,1.085152475,0.399277246,1.814400904,1.415133181,1.287173998,0.786410866,0.536857124,0.339397035,0.070452199,0.399277246,3.707286005,3.252217518,3.088066259,2.540186057,2.26277616,2.004385347,1.738600278,1.207644823,1.612485873,1.104407163,0.892925973,0.294585494,0.004703131,0.366398482,0.6026851,1.207644823,4.3341945,3.456172127,3.122771562,2.546980141,1.93665016,1.887130949,1.24306239,0.610169492,1.7757569,1.269001463,1.011002376,0.541324578,0.384968844,0.062684888,0.324610835,0.610169492,0,0,0,0,0,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.204124145,0,0,0,0.204124145,0,0,0,0.612372436,0.612372436,0,0.499535383,0.386698331,0,5.698670613,3.346065215,2.090770275,1.732050808,0.866025404,0,0,0,0.814095802,0.557677536,0.348461713,0.288675135,0.288675135,0,0,0,5.145884208,2.9551862,1.865096171,1.412899428,0.546874024,0,0,0,0.735126315,0.492531033,0.310849362,0.235483238,0.182291341,0,0,0,10.50759373,20.54552076,19.42745098,19.72,12.07012096,162.609612,0.500361606,0.978358131,0.925116713,0.939047619,0.574767665,7.743314856,1.4149,31.1578,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,36,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.633888889,0,8.526018519,0,0,0,0,0,0,0,0,0,0,0.633888889,0,0,0,0,0,0,0,0,0,0,0,0,0,1.766111111,0,0,0,0,0,0,0,0,0,0,0,4.203148148,0,2.5625,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.526018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.633888889,0,8.526018519,0,0,0,0,0,0,0,0,0,0,0.633888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,2.101574074,0,0.354166667,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.526018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.633888889,0,8.526018519,0,0,0,0,0,0,0,0,0,0,0.633888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.101574074,0,1.104166667,0,0,0,0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.526018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.83333333,2.261904762,0.633888889,8.526018519,0.24,0.354166667,3.281093333,1.145833333,2.526018519,5.458333333,1.145833333,2.526018519,5.458333333,3.33333,0.47619,0,0.02381,0.46984,0.80952,0.42174,0.46984,0.74583,0.0481,0,-0.0481,0.06369,0.58823,0.12606,0,0.4,0.15,0,3.25,0.46429,3.25,0.46429,0,0,-3.25,-0.46429,0,0,6.27514,0.89645,7.12629,0.85116,0.12159,3.01749,0.43107,3.34606,0.32857,0.04694,0.06794,0.00971,0.06794,0.00971,0,6.01,1,1,1,1,1,1,1,1.115520094,1.911092835,2.987090042,2.987090042,2.777932069,2.036538274,23.42592197,40.13294954,62.72889087,62.72889087,58.33657345,42.76730376,0.253970737,0.435098981,0.680071533,0.680071533,0.632452485,0.463659175,3.276797329,2.481224587,1.405227381,1.405227381,1.614385354,2.355779148,0.258107046,0.442185245,0.691147556,0.691147556,0.642752958,0.471210587,9.935135927,16.76157504,17.84599195,17.84599195,15.33609628,8.738471777,25.72285013,17.71415401,17.92254025,17.92254025,16.66759241,11.32655241,7,4.166666667,2.666666667,7,0,5,2.01,1.0127,0.25,2.884499141,1,0,1.5,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,3.39,6,6,3,0,0,0,0,0,0,28,1.945910149,1.945910149,1.945910149,1.386294361,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,6,1,0,2,4,1,1.5,0.666666667,0.375,0,0,0,0,0,0,0,0.25,0.111111111,0.0625,0,0,0,0,0,0,0,0.423611111,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,20.23,121.1225932,3.807354922,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,66.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921535632,102.1044651,4.862117384,12.6691974,1.809885343,2.398150843,2.398150843,0,48,6,1.717,24,1.2214,2.117439986,2.8584419,3.473549672,4.017401033,4.843929568,0,0,0,0,77.91771384,77.05752146,81.3359482,67.62962639,22.13291604,4.921742453,0,0,0,0,269.3444456,317.9598092,341.5659461,339.4792817,228.0578317,150.5674687,0,0,0,0,9.169769619,15.48237673,20.52500415,25.30609223,28.7954561,32.54376642,0,0,0,0,1.986542612,2.574356076,2.893313066,3.047719427,2.445466355,2.153673596,0,0,0,0,178.525005,333.0542487,468.0744692,579.1718857,713.9322812,895.7280823,0,0,0,0,3.07015,4.232823226,5.340328826,7.835830468,7.547043534,4.843929568,0,0,0,0,0.431093955,0.566902609,0.649136137,0.712755345,0.590844741,0.496018388,0,0,0,0,331.4143976,214.1009348,10.01501159,168.5906736,-108.9132551,-19.83630519,162.823724,323.0141899,29.85131678,0.662822073,0.428197527,0.02002982,0.337177927,-0.217824301,-0.039672208,165.7088794,107.0515531,5.007556581,84.29619175,-54.45717986,-9.91825319,0.324658754,0.612093141,0.646390496,18.86111859,467.1999553,32.8051159,0.934390434,0.065609566,408.0877446,20.20118176,7.417391191,552.0501458,23.4957474,8.203380253,706.6324953,26.58255998,8.90699486,1.611346497,1.20582466,352.928602,286.2555317,120.1049373,1.232914522,2.938502029,2.383378553,3.760663417,3.220194404,6.42424645,0.994987148,4.340044638,5.609516448,5.003848552,19.86735509,7.783437396,5.966442295,7.318946902,9.647759108,2.971633334,4.292421634,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384134921,5.255628422,0.408665308,7.354585209,1.081009792,0.363436945,1.16658792,0.343348247,0.986196842,0.067301748,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.120585271,5.051565261,1.085679883,8.063784128,1.58187629,1.07790968,1.761721253,1.414374351,1.128023543,0.410279111,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.319606171,5.683280814,5.189652863,19.79866357,7.096732331,5.676833429,7.011985273,8.788102981,2.875894434,3.849995245,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.584635694,5.003474263,1.486073829,8.959484718,2.175502066,1.649665325,2.368825706,2.394764283,1.273432091,0.799960638,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.421862643,5.911638009,6.636107537,25.17115321,10.7947587,7.993885697,9.517639639,13.17500539,3.903195996,6.139181957,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.914733046,5.700353262,5.536386782,18.86046316,3.915634702,4.041701932,6.198564019,4.273094465,2.795778477,1.777616307,0.060522456,0.419482009,2.99E-15,4.11E-51,1.09E-108,5.56E-188,5.48E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.469538131,1.116515407,0.648624376,0.662798779,0.213292093,0.503628034,0.436107772,0.485592566,5.234677914,6.848418892,14.59573323,0.494198169,1.425328372,2.554432464,0.941543101,0.264417035,0.679299407,0.250384255,0.281200586,0.319524418,0.066695577,3.7603926,3.329503758,7.725847955,0.518949111,0.667420581,2.994283931,0.924492699,0.418135583,0.690418386,0.213168414,0.375657546,0.302383723,0.193823079,4.336912213,4.406773585,9.901166057,0.535627579,0.871864348,3.408331261,1.131531181,0.642372294,0.657695267,0.218348114,0.486483612,0.450756471,0.464272553,5.182234736,6.772914951,14.43254394,0.486542901,1.401512636,3.187142414,0.947305029,0.479827038,0.69071366,0.205298803,0.424851392,0.313740915,0.266721652,4.614274482,5.003015709,11.06598208,0.53607049,1.00531396,3.515342422,1.147354118,0.678081102,0.658207972,0.214829037,0.517072026,0.460728458,0.529483625,5.340777643,7.195029013,15.27074005,0.487311958,1.507284109,3.426054481,1.130896042,0.64365016,0.658780531,0.217454889,0.491532255,0.450275817,0.466145389,5.200600684,6.807593389,14.50202399,0.488170797,1.407953461 +UMLYSI0245,L,ethyl-4-pentenoate,C=CCCC(=O)OCC,unsaturated esters,C7H12O2,1968-40-7,74786,UML,,41.2,0,1.2595,1.58634025,35.4304,21.925516,0,0,21,9,12,0,7,0,2,0,0,0,0,0,0,0,1533.977617,1443.097628,1654.70338,1413.840259,1257.427722,894.79766,460.053554,249.249337,67.647888,3770.404799,4402.612411,5150.782841,4873.62673,4234.162858,3373.333696,2403.818701,1590.079788,791.2692929,160.108612,153.215816,260.58676,298.91434,235.272576,214.546304,177.0914,118.229284,82.617408,26.14406286,31.32505172,38.92890358,37.39056398,31.62353707,26.73621058,21.07135547,15.25415772,8.680011884,3477.474889,2931.472338,5420.534124,6536.6925,4898.495198,4649.885994,4068.482721,2831.115954,2060.036303,99.77777778,62.5,104.0833333,106.3333333,107.9166667,94.83333333,53.5,31,20,73.04655319,72.1548814,48.66774647,36.25231433,41.9142574,31.95705929,19.16889808,14.66172571,5.637324,179.5430857,220.1306206,151.493613,124.9647879,141.1387619,120.4762034,100.1591126,93.53410519,65.93910774,7.624219619,7.6607908,7.664316471,7.664470256,7.8424192,7.662368,7.378808333,6.954663765,6.884784,1.244955374,1.566252586,1.144967752,0.95873241,1.054117902,0.954864664,0.877973145,0.897303395,0.723334324,165.5940423,146.5736169,159.4274742,167.6075,163.2831733,166.0673569,169.5201134,166.5362326,171.6696919,4.751322751,3.125,3.06127451,2.726495726,3.597222222,3.386904762,2.229166667,1.823529412,1.666666667,0.286404938,-0.163073254,0.053204446,-0.047776109,0.017463072,0.047255011,-0.062859869,2.66E-04,0.004226676,751.701177,-11.34037805,-17.92846064,-5.611714245,-227.8945542,-188.8047321,-113.0713557,1.790662658,31.2325015,1018.843734,-137.0120425,-274.8921112,181.6994005,-211.9580468,-183.4409719,5.92470981,-69.78465164,-26.79891916,1.933471238,0.001381297,0.712832281,-0.643667918,-0.691213769,-0.507190984,-0.324087129,0.184135474,0.161581197,4.548872301,-0.99958663,-1.532287331,1.001939674,-0.694562644,-0.590352396,0.538783349,-0.427256649,-0.294730541,25.57408015,-6.115137727,-8.511116524,5.464499505,-3.640467274,-3.029327869,3.688206618,-2.435501151,-1.835360663,39.2010582,-2.093600403,8.257810532,-11.30196523,-11.61923658,-2.447971781,-5.499622071,1.911312673,0.26606198,0.01363833,-0.008153663,0.001564837,-0.001225028,5.82E-04,0.001687679,-0.002619161,1.56E-05,3.52E-04,35.79529414,-0.567018902,-0.527307666,-0.143890109,-7.596485141,-6.743026147,-4.711306486,0.105333098,2.602708459,48.51636829,-6.850602125,-8.085062094,4.658958988,-7.065268227,-6.551463282,0.246862909,-4.104979508,-2.233243263,0.092070059,6.91E-05,0.020965655,-0.016504306,-0.023040459,-0.018113964,-0.01350363,0.010831498,0.0134651,0.216612967,-0.049979331,-0.045067274,0.025690761,-0.023152088,-0.021084014,0.022449306,-0.025132744,-0.024560878,1.21781334,-0.305756886,-0.250326957,0.140115372,-0.121348909,-0.108190281,0.153675276,-0.143264774,-0.152946722,1.866717057,-0.10468002,0.24287678,-0.28979398,-0.387307886,-0.087427564,-0.22915092,0.112430157,0.022171832,-0.597849038,0.114738139,-0.089822464,0.042681352,0.123745278,-0.192044124,0.001145633,0.025825963,-0.015840599,-0.014731201,-0.004019805,-0.212220218,-0.188377448,-0.131618041,0.002942652,0.072710911,-0.141201874,-0.16664607,0.096028601,-0.145626486,-0.135036144,0.00508824,-0.084610198,-0.046030718,7.50E-04,0.227714151,-0.179258119,-0.250249204,-0.19674109,-0.146666903,0.117644092,0.14624841,-0.230731023,-0.20805437,0.118602138,-0.106882282,-0.097334959,0.103637869,-0.116026037,-0.113386002,-0.251070403,-0.205554454,0.115054883,-0.099644917,-0.08883979,0.126189516,-0.117640995,-0.125591268,-0.056077068,0.130109049,-0.155242584,-0.207480767,-0.04683493,-0.122756107,0.060228816,0.011877446,1.583225158,0.979948088,1.379974932,1.345869832,0.881714232,0.827341936,0.215729859,0.203844856,0.998072496,0.99980857,1.007134077,1.263305647,1.181693351,1.035123427,0.75791074,0.671066801,1.376499109,1.182830634,0.79624661,1.081473843,1.038479454,0.87305192,1.039828863,0.920681806,0.71322085,0.780712872,1.409604493,1.642132522,1.394424674,1.013096701,0.057722455,0.051108423,1.575925028,1.254741927,0.758649886,1.058654252,0.994667231,0.744187925,1.041162286,0.92186244,1.608658199,1.260642659,0.770167669,1.072468864,0.995091395,0.712584105,1.00596572,0.890698814,0.648366851,0.575422975,1.195349731,1.888176542,1.563723175,0.975207518,0.202575564,0.297611014,41.74140666,21.12070333,33.17817878,42.13029554,4.681143949,21.12070333,0.5,0.08784766,0.009760851,-2.188935994,38.20761179,4.245290199,3.278731282,41.75455361,21.12654238,33.18660506,42.14230006,4.682477785,21.12654238,0.498531158,0.087556478,0.009728498,-2.191924108,38.20933544,4.245481715,3.278771882,53.4994575,26.35073427,41.26943055,52.87879942,5.875422158,26.35073427,-0.797988956,0.129964632,0.014440515,-1.836443632,157.8178268,17.53531409,4.555297235,41.76835189,21.13267074,33.19545047,42.15489935,4.683877706,21.13267075,0.4969896,0.08725096,0.009694551,-2.195070039,38.21121113,4.245690125,3.278816062,66.08186164,31.95863655,50.76918474,64.39829278,7.155365865,31.95863655,-2.164588529,0.267428512,0.029714279,-1.187012694,40.48731565,4.498590628,3.330889858,43.11975248,21.73301042,34.06997109,43.38907232,4.821008036,21.73301043,0.346268372,0.057795494,0.006421722,-2.565760018,38.72029432,4.302254924,3.290727477,49.02728533,24.71314141,40.14661411,49.46921025,5.496578916,24.71314141,0.795464853,0.189011394,0.021001266,-1.499353183,40.48792648,4.498658498,3.330903436,0,11.89,15.99591816,-0.315925183,0.26177684,4.135807292,7.022347453,8,20,18,18,6,2,2,0,0,2,15.992484,3.560606734,3.25134437,2.957661274,2.392547511,1.904938175,1.530330378,0.974615619,0.916147072,1.811545558,1.648128002,1.38296518,0.929193466,0.799210202,0.404547423,0.345004934,0.083923071,3.496037666,3.196454861,2.945361524,2.335376016,1.864976397,1.547496151,1.042754568,0.604413117,1.789728441,1.605881269,1.352100472,0.916699705,0.694478078,0.43056865,0.188332065,0.270913902,3.648460585,3.391108231,3.134723098,2.623467495,2.248613014,1.963929038,1.542804464,1.226893327,1.60724468,1.351743586,1.112264335,0.550094898,0.254552361,0.051191931,0.369544802,0.943918427,3.496585321,3.190758805,2.95620427,2.327834724,1.902370171,1.582478441,1.132551704,0.459593576,1.78575178,1.58006141,1.332362936,0.899458533,0.630100523,0.38504688,0.079452436,0.399277246,3.674097686,3.440023265,3.19093256,2.693245496,2.374846767,2.104816686,1.753160397,1.208936353,1.570383446,1.29985896,1.057368134,0.485925921,0.118111388,0.180699907,0.575529816,1.207644823,4.524020067,3.555879076,3.254557593,2.768865488,2.38678014,1.84354386,1.449739706,1.258258853,1.711027813,1.481655684,1.090370373,0.613232438,0.495345395,0.040356903,0.081781917,0.53164557,0,0,2,1,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.40824829,0.49279928,0.390737207,0.083333333,0.09518571,0.063483473,7.112884175,4.308060412,3.036075375,1.83195123,1.189722705,0.594861352,0.204124145,0.102062073,0.790320464,0.538507552,0.379509422,0.261707319,0.198287117,0.148715338,0.102062073,0.102062073,5.722273975,3.074080178,1.632371439,0.857911063,0.453069624,0.197168784,0.071129449,0.029462783,0.635808219,0.384260022,0.20404643,0.122558723,0.075511604,0.049292196,0.035564725,0.029462783,11.68056503,20.98834669,20.05098039,20.36,12.75180599,161.2212671,0.556217382,0.99944508,0.95480859,0.96952381,0.607228857,7.677203194,1.44189,35.794,25.02074591,38.31124324,50.04149182,5.560165758,25.02074591,0.045146306,0.005016256,-2.788062138,41.34668254,4.594075837,3.34979297,83,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,4,2,0,2,0,0,0,0,0,0,0,0,1,1,3,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.18916667,5.048968726,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.446200043,0.417675737,0,0,1.968276998,1.014583333,0,0.863875779,0,0,0,0,0,0,0,0,1.797430556,3.484987245,1.631100718,0,1.705277778,0,0,0,0,-0.141296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.53194444,4.657222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.657222222,-0.141296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.446200043,0.417675737,0,0,0.385744402,0.458680556,0,0.417675737,0,0,0,0,0,0,0,0,1.797430556,3.484987245,0.455694444,0,1.705277778,0,0,0,0,-0.141296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.53194444,4.657222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.53194444,3.484987245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.446200043,0.417675737,0,0,0.567949263,0.555902778,0,0.446200043,0,0,0,0,0,0,0,0,1.797430556,3.484987245,0.707175926,0,1.705277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.53194444,4.657222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.66666667,2.62962963,0.567949263,10.53194444,0.254722222,-0.141296296,3.168307046,1.807962963,3.531944444,10.34830782,1.807962963,3.531944444,10.34830782,4.16666,0.46296,0,0.03704,0.54444,0.87037,0.42414,0.52319,0.87037,0.12031,0.02126,-0.09905,0,0.53191,0.18238,0,0.32,0.12,0,7.25,0.80556,4.75,0.52778,2.5,0.27778,-2.25,-0.25,0,0,5.7607,0.64008,9.95878,4.19808,0.46645,2.66374,0.29597,4.30805,1.64431,0.1827,0.10595,0.01177,0.10595,0.01177,0,8.02,2,2,2,2,0,0,0.571428571,1.312744353,2.712116827,3.594465637,3.784941827,3.784941827,3.689703732,27.56763142,56.95445336,75.48377838,79.48377838,79.48377838,77.48377838,0.298872833,0.617468312,0.818352885,0.861718647,0.861718647,0.840035766,3.07957307,1.680200596,0.797851786,0.607375595,0.607375595,0.702613691,0.294374814,0.608175449,0.80603672,0.84874983,0.84874983,0.827393275,11.97240834,24.04951117,25.9856382,26.17760487,26.17760487,25.03474773,32.89486864,19.41629524,16.65850192,16.12809529,16.12809529,17.49513381,9,6.125,5.87755102,9,3,5,2.01,1.1263,0.142857143,2.809664852,0.577350269,0,2.701599969,2.149139864,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.447,0.442,0.598,0.207,3.75,8,7,6,4,2,1,0,0,0,45,2.397895273,2.48490665,2.397895273,2.302585093,2.197224577,1.386294361,1.098612289,0,0,0,4.143134726,1.377777778,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.625,6,0.75,0,4,7,0.75,1.5,0.666666667,0.375,0.16,0.055555556,0.040816327,0,0,0,0,0.1875,0.083333333,0.053571429,0.026666667,0.013888889,0.020408163,0,0,0,0,0.385368481,25.02074591,38.31124324,50.04149182,5.560165758,25.02074591,0.045146306,0.005016256,-2.788062138,41.34668254,4.594075837,3.34979297,26.3,141.9358871,4.169925001,3.496507561,4.143134726,4.844187086,5.517452896,6.228511004,6.910750788,7.624130586,8.309676896,9.023408203,73.09775975,2.833213344,0,3.891820298,0,5.117993812,0,6.424869024,0,7.773594467,8.08085642,128.0837296,6.09922522,16.65502353,1.85055817,5.287016006,5.287016006,0,108,7,1.689,32,1.23285,2.135870236,2.881818521,3.733669056,4.880629365,5.761390115,7.052637988,8.095518444,9.272302696,0,99.29487154,113.447897,116.591939,181.9252593,175.7809703,129.2576058,116.2963756,48.85942166,9.421252967,0,292.6417096,342.8219616,389.4367215,586.2008616,632.4045364,637.3530325,704.0957623,558.1155807,288.2178873,0,9.50687525,16.48219419,22.13545378,29.22436738,37.52098024,42.80395397,49.1801178,55.85186923,62.29563186,0,2.036365331,2.545358451,2.928174692,4.295546184,4.907288711,5.434254845,6.622741403,6.050116189,4.122585437,0,179.0937647,337.7071719,479.4511715,597.9845804,803.2489907,965.1125278,1164.618543,1380.517479,1714.612443,0,3.952154167,6.8547614,7.995048006,13.44467192,16.98696773,13.38256721,13.40171569,13.93537251,9.272302696,0,0.462407625,0.608960723,0.712392258,1.048777023,1.199570578,1.252392255,1.428604175,1.333102142,0.949483796,0,339.6115982,286.0906528,17.98745116,178.7530632,-150.5825502,-23.72484438,160.858535,436.6732029,41.71229554,0.655159627,0.551910024,0.034700381,0.344840373,-0.290495401,-0.045768638,176.0426511,148.2992843,9.324059027,92.65927105,-78.05667262,-12.29812092,0.310710954,0.374979261,5.217949224,3.780360199,462.3556848,56.00897651,0.891950627,0.108049373,668.7161225,25.85954606,8.744747313,785.5974924,28.02851213,9.227131207,1112.62837,33.35608445,10.36215402,2.348152387,2.348152387,933.740785,869.3795985,77.71973426,1.074031167,12.01420455,11.18608558,4.419441904,5.328778951,9.870136834,0.852232364,3.605019375,4.413758467,4.154015015,13.5869483,6.371772052,2.637349841,6.307519342,5.771121235,4.58797715,0.873898395,4.026554947,2.353299179,1.874916192,0.10464489,0.68023332,1.226885698,2.338240858,0.002099916,0.370353621,1.18E-17,7.23E-56,8.56E-116,1.96E-197,8.61E-301,0,0,0,0,0,0,0.319062523,4.564783987,0.343505918,4.223668685,0.204206903,1.758818872,0.812092681,0.381770874,1.621114909,0.014352134,3.241807563,0.081103304,0.485621833,0.003183811,0.05629166,0.153302465,0.170543033,4.61E-05,0.002608431,8.30E-20,5.10E-58,6.03E-118,1.38E-199,6.07E-303,0,0,0,0,0,0,0.982529238,4.283697373,0.866255914,4.809715468,0.65264398,1.785267564,1.496236849,0.881875244,1.484774624,0.085199373,2.805806379,0.336197127,0.676599337,0.013957133,0.182236005,0.248724448,0.567461125,2.35E-04,0.02718186,8.65E-19,5.31E-57,6.29E-117,1.44E-198,6.32E-302,0,0,0,0,0,0,3.407959975,4.564328851,4.389868371,14.13205481,6.228297485,2.669901359,6.291816282,5.624921234,4.806981602,0.784271991,4.378338311,2.145722512,1.820364229,0.094918117,0.64153532,1.117393931,2.189420013,0.001892566,0.329978409,1.05E-17,6.45E-56,7.63E-116,1.74E-197,7.67E-301,0,0,0,0,0,0,1.440480039,4.176890376,1.159080858,5.326810707,1.069085529,1.856051205,2.018840293,1.30314777,1.557461224,0.164893016,2.682555601,0.571922282,0.81915713,0.024303196,0.269113126,0.350963451,0.853459247,4.33E-04,0.059042633,1.88E-18,1.15E-56,1.37E-116,3.12E-198,1.37E-301,0,0,0,0,0,0,4.353603587,4.509203192,5.598043826,17.79016384,9.291027226,2.915698919,8.202063426,8.120421563,6.118759108,1.247761711,4.596830647,3.22692216,2.364610994,0.144650221,0.82408315,1.681979441,2.9075559,0.002960312,0.54012595,1.72E-17,1.06E-55,1.25E-115,2.85E-197,1.26E-300,0,0,0,0,0,0,2.041358446,3.762688738,2.827022058,12.575565,3.588543428,1.897388192,4.91031864,3.782374771,7.540565802,0.2620732,5.522711536,0.791758952,1.223175351,0.036728668,0.382356324,0.585284143,1.79162363,7.09E-04,0.104679344,3.33E-18,2.04E-56,2.42E-116,5.53E-198,2.43E-301,0,0,0,0,0,0,9.274214268,0.845604572,0.31559115,0.888725434,0.081032233,0.559592538,0.511918947,0.38094129,10.43540999,11.03604326,23.9464194,0.83308815,1.452452775,6.736240276,0.574121751,0.052121256,0.914941334,0.077979362,0.29566916,0.235818842,0.010390541,7.362483282,4.248447311,11.81250549,0.872412001,0.541878543,8.165270912,0.596313247,0.153713337,0.915871951,0.066886523,0.434066877,0.254818104,0.090371505,8.915297495,6.215831546,15.87956838,0.873807927,0.779256486,8.963538476,0.853669133,0.2980577,0.886139731,0.084394142,0.522756033,0.521831351,0.339788838,10.11526531,10.57799044,22.97396231,0.829209596,1.384376221,8.786987238,0.632710522,0.207513796,0.912724021,0.065721057,0.502547975,0.286868056,0.164703325,9.627211557,7.514336523,18.29524578,0.869086031,0.954119356,9.344596184,0.886194641,0.33472989,0.88444256,0.083876097,0.568082425,0.562088723,0.42854596,10.56552071,11.70568255,25.04314535,0.826663839,1.558717108,9.086593375,0.861399306,0.300763589,0.886604495,0.084049155,0.537232682,0.531405924,0.345986325,10.24875627,10.81917921,23.42206781,0.829906742,1.414624931 +UMLYSI0246,L,isobutyl propionate,CCC(=O)OCC(C)C,saturated esters,C7H14O2,540-42-1,10895,PubChem,,41.1,0,0.5795,0.33582025,35.7196,23.259102,0,0,23,9,14,0,7,0,2,0,0,0,0,0,0,0,1536.009745,1467.311804,1815.138845,1598.456891,1076.871145,1006.810821,562.917938,160.526016,18.289152,3832.572288,4632.085644,5813.371337,5615.390833,4371.429653,3688.670947,3194.098172,1843.095563,559.5073998,173.54554,167.45108,302.118764,356.13506,349.468204,178.681188,225.3026,186.188544,120.932352,27.03328867,33.55214034,44.60979951,44.55735111,34.88628436,28.94821995,27.93293149,20.03172529,8.003032287,3847.310193,3237.717434,6440.121636,7750.647368,7901.984058,3755.640278,4987.751257,4611.235353,3328.517736,96.30555556,60.91666667,106.75,125.8055556,116.1666667,70.33333333,81,39,18,66.78303239,66.69599109,45.37847112,34.00972109,23.93046989,41.95045087,18.76393127,5.945408,1.016064,166.6335777,210.5493475,145.3342834,119.4764007,97.14288117,153.6946228,106.4699391,68.26279863,31.08374443,7.545458261,7.611412727,7.5529691,7.577341702,7.765960089,7.4450495,7.510086667,6.895872,6.718464,1.175360377,1.525097288,1.115244988,0.948028747,0.775250763,1.206175831,0.931097716,0.741915752,0.444612905,167.2743562,147.1689743,161.0030409,164.9073908,175.5996457,156.4850116,166.2583752,170.7864946,184.917652,4.187198068,2.768939394,2.66875,2.676713948,2.581481481,2.930555556,2.7,1.444444444,1,0.268936204,-0.166868666,0.053354576,0.045825271,-0.10807287,0.063306618,-0.028018602,-0.003875471,0.009881042,799.1117029,-15.00476101,115.5881665,-148.979224,-139.603566,-122.8483568,-448.4135618,-29.88539176,389.5908434,1081.795272,-149.5950004,-66.47700414,-416.4870559,470.1517042,-277.2575333,-429.2495597,-189.2806026,517.2974161,1.975925913,0.013204083,0.812761369,-0.345571388,-1.387307047,-0.051815561,-0.644127365,0.266026276,0.348866677,4.769103567,-1.066326256,-0.682196631,-2.55520351,3.589210109,-1.423245319,-0.953931856,-1.10258481,1.80972649,26.67799994,-6.490143964,-4.002168585,-15.26562155,21.47095332,-8.07091581,-3.741176785,-6.311267445,9.07134085,38.38164251,-1.641619408,11.23361689,-3.128911993,-19.92060491,2.232199118,-16.42533081,2.258506616,6.201323251,0.011692878,-0.007584939,0.001333864,9.75E-04,-0.002401619,0.002637776,-9.34E-04,-1.44E-04,5.49E-04,34.74398708,-0.682034591,2.889704163,-3.169770722,-3.102301467,-5.118681534,-14.94711873,-1.106866361,21.64393574,47.03457702,-6.799772747,-1.661925103,-8.861426721,10.44781565,-11.55239722,-14.30831866,-7.01039269,28.73874534,0.085909822,6.00E-04,0.020319034,-0.007352583,-0.030829045,-0.002158982,-0.021470912,0.009852825,0.019381482,0.207352329,-0.048469375,-0.017054916,-0.054366032,0.079760225,-0.059301888,-0.031797729,-0.040836474,0.100540361,1.159913041,-0.295006544,-0.100054215,-0.324800459,0.477132296,-0.336288159,-0.124705893,-0.233750646,0.503963381,1.668767066,-0.074619064,0.280840422,-0.066572596,-0.442680109,0.093008297,-0.547511027,0.083648393,0.344517958,-0.648680254,0.11407494,0.083384581,-0.205391628,0.225588231,-0.079873696,-0.012275504,0.046947106,-0.019630291,0.083171346,-0.09123221,-0.089290313,-0.14732568,-0.430207353,-0.031857782,0.622954864,-0.144569659,-0.035334114,-0.18840239,0.222130533,-0.245614991,-0.304208511,-0.14904764,0.611013156,0.006986228,0.236515845,-0.08558489,-0.358853559,-0.02513079,-0.249923834,0.114687992,0.225602632,-0.233753706,-0.0822509,-0.262191567,0.384660375,-0.285995767,-0.1533512,-0.196942444,0.484876929,-0.254335052,-0.0862601,-0.280021387,0.411351782,-0.289925319,-0.10751314,-0.201524285,0.434483761,-0.044715087,0.168292165,-0.039893282,-0.265273757,0.055734739,-0.32809314,0.050125865,0.206450598,1.645016989,0.92541691,1.166312966,1.675738147,0.96851737,0.764798836,0.12517121,1.07E-06,1.090358552,0.921021686,1.096992816,1.152446548,1.119268191,1.396398468,0.740670252,0,1.504503624,1.098818674,1.150347619,0.526117647,1.399887966,1.237977336,1.017404068,0,0.709899086,0.71758318,1.215216292,2.07004455,0.721112479,1.317356545,0.058678763,0,1.714180848,1.17704081,1.226546494,0.309661099,1.500681729,1.091720762,1.03170259,0,1.747015013,1.186280531,1.251028545,0.301445417,1.505932567,1.051965326,1.001841546,0,0.61371932,0.509502832,1.015787395,1.721518076,1.108566709,2.12876652,0.127375708,0,40.94253363,20.72126681,31.79296156,41.33142251,4.592380279,20.72126682,0.5,0.057235794,0.006359533,-2.574518219,39.75723128,4.417470142,3.314512569,40.95759911,20.72806513,31.80510709,41.34534557,4.593927285,20.72806514,0.498531158,0.057193714,0.006354857,-2.57518015,39.75060513,4.416733903,3.314362558,54.36342847,26.78271976,42.79616883,53.74277039,5.971418933,26.78271976,-0.797988956,0.027543592,0.003060399,-3.232786833,39.20010491,4.355567212,3.301811481,40.9734108,20.7352002,31.81785492,41.35995826,4.595550918,20.7352002,0.4969896,0.057149573,0.006349953,-2.57587502,39.7436801,4.415964456,3.314205754,68.64507772,33.24024459,54.70118513,66.96150886,7.440167651,33.24024459,-2.164588529,0.008070662,8.97E-04,-4.3375678,42.88721965,4.765246628,3.382716484,42.52115026,21.43370932,33.06912237,42.79047011,4.754496678,21.43370932,0.346268372,0.052944869,0.005882763,-2.644653702,39.19492369,4.354991521,3.301692517,42.31029995,21.41097953,32.79907996,42.9180097,4.768667744,21.41097953,1.093877551,0.156559219,0.017395469,-1.66888885,75.13644426,8.348493807,3.887375146,0,11.89,15.99591816,-0.31539148,0.261216549,4.036120656,7.217376805,8,22,21,21,7,1,1,0,0,1,18.178898,3.55075491,3.308461283,2.723124875,2.345316778,2.333552793,1.566399269,1.228058547,0.872120524,1.834630205,1.703113937,1.249629723,1.203492138,0.970099814,0.432357685,0.366869109,0.083923071,3.469031526,3.294509061,2.646677505,2.405454588,2.294559341,1.581610661,1.176814738,0.60168286,1.804122059,1.66165243,1.200032637,1.134540686,0.918988706,0.460951189,0.234970951,0.270913902,3.644647217,3.456848066,2.937854522,2.704236987,2.593209233,2.008915529,1.644705756,1.224424122,1.597201826,1.44021595,0.851454085,0.76031856,0.55930016,0.019329801,0.299155472,0.943918427,3.467283348,3.299538649,2.634159252,2.457539916,2.30851128,1.614621272,1.242903719,0.459575876,1.795775646,1.635195487,1.192843235,1.058262671,0.885312231,0.42442379,0.13617774,0.399277246,3.673329109,3.508964051,2.996222306,2.838982085,2.67706472,2.14515264,1.825742362,1.208936353,1.55465983,1.390248579,0.792326654,0.631337262,0.470961856,0.143796826,0.485984812,1.207644823,4.818220737,3.504061148,3.155648135,2.904736752,2.631436576,2.042576371,1.731167287,1.260229017,1.694458503,1.486163728,0.898392268,0.881436576,0.607327141,0.027339126,0.17204132,0.583333333,0,0,1,0,0,4,1,1,0,0,0,0,0,0,0,0,0,0,0,0.696923425,0,0,0,0.467173856,0,0,0,0.781474414,0.488641942,0.638071187,0.267258898,0.149056261,0.16511504,7.276020882,4.16390246,3.484617125,1.933739641,0.821975275,0.686886724,0.23570226,0,0.808446765,0.520487808,0.387179681,0.27624852,0.164395055,0.137377345,0.11785113,0,6.308060412,3.320532426,2.430412943,0.866329439,0.361674995,0.244818077,0.11785113,0,0.700895601,0.415066553,0.270045883,0.123761348,0.072334999,0.048963615,0.058925565,0,12.22239284,22.87618354,21.77647059,22.12,13.55036048,177.5068275,0.531408384,0.994616676,0.946803069,0.96173913,0.589146108,7.717688154,1.5956,36.088,23.929199,36.93277988,47.85839801,5.317599779,23.929199,0.014242783,0.001582531,-3.826354452,40.2327376,4.470304178,3.325212929,74,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,1,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.30768519,-0.107685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.427986111,0.5125,0,0,0,0,0,0,0,0,0,0,5.827916667,0,1.027175926,0,0,0,0.444907407,0,0,-0.107685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.49402778,4.813657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.813657407,-0.107685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.307222222,0.5125,0,0,0,0,0,0,0,0,0,0,1.794305556,0,0.478888889,0,0,0,0.444907407,0,0,-0.107685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.49402778,4.813657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.49402778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,2.016805556,0,0.548287037,0,0,0,0.444907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.49402778,4.813657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.5,2.5,0.557638889,10.49402778,0.180555556,-0.107685185,3.217028056,1.774351852,3.494027778,9.682592593,1.774351852,3.494027778,9.682592593,4.16666,0.46296,0,0.03704,0.52319,0.87037,0.42414,0.52319,0.87037,0.09905,0,-0.09905,0,0.53191,0.18238,0,0.44,0.24,0,6.25,0.69444,4.75,0.52778,1.5,0.16667,-3.25,-0.36111,0,0,7.37951,0.81995,10.42243,3.04293,0.3381,3.11601,0.34622,4.16389,1.04788,0.11643,0.25011,0.02779,0.25011,0.02779,0,8.02,2,2,2,2,0,0,0.857142857,1.264672679,1.999307329,3.022286955,3.294663586,3.055108151,2.564740783,29.08747163,45.98406858,69.51259998,75.77726248,70.26748748,58.98903802,0.279574524,0.441976334,0.668121048,0.728333914,0.675376657,0.566973727,3.258889277,2.524254627,1.501275001,1.22889837,1.468453805,1.958821173,0.279574524,0.441976334,0.668121048,0.728333914,0.675376657,0.566973727,11.60803893,20.77103861,23.11864071,22.4373074,20.87925981,18.754063,32.94327953,20.86971424,18.91330382,19.64700493,22.02992221,19.18646658,9,4.839506173,5.87755102,9,3,3,2.01,1.1693,0.721124785,2.210418899,2.575122657,0,0.333333333,2.37841423,0,0.333333333,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.426,0.519,0.065,3.629,9,7,5,5,2,0,0,0,0,45,2.302585093,2.48490665,2.302585093,1.945910149,2.079441542,1.098612289,0,0,0,0,3.988984047,1.177777778,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.5,7,0.875,0,3,6,1,2.5,0.888888889,0.25,0.32,0.111111111,0,0,0,0,0,0.3125,0.098765432,0.035714286,0.064,0.022222222,0,0,0,0,0,0.53320194,23.929199,36.93277988,47.85839801,5.317599779,23.929199,0.014242783,0.001582531,-3.826354452,40.2327376,4.470304178,3.325212929,26.3,144.5723458,4.169925001,3.555348061,4.204692619,4.934473933,5.616771098,6.343880434,7.037905963,7.760893196,8.46062284,9.180190395,74.09477854,2.833213344,0,3.970291914,0,5.252273428,0,6.586171655,0,7.946971358,8.247482004,130.0993797,5.656494769,16.49232991,1.832481101,5.305235418,5.305235418,0,104,7,1.572,34,1.233227273,2.114872389,2.876482588,3.5499953,4.816113096,5.547891012,6.416245971,7.342220549,0,0,92.90307534,106.3800464,106.2297492,99.75294179,217.041194,115.4599721,41.16359425,7.46016598,0,0,281.9160909,330.0630845,361.5842034,383.7257194,779.6130942,627.7549697,460.7417393,228.2237071,0,0,9.447098999,16.09509532,21.87237283,27.60201567,35.92799779,41.58151946,44.35417152,49.32844444,0,0,1.992608666,2.481367681,2.82161929,2.988462058,6.042073914,5.423456012,4.942241316,3.264446006,0,0,179.7781318,336.9946607,471.6194653,616.7604345,747.7962992,913.9182383,1087.160934,1357.706185,0,0,3.498409091,5.958427917,7.83823254,9.073502832,14.30755922,14.83687176,9.539877991,7.342220549,0,0,0.450467386,0.584871978,0.696927029,0.752142058,1.374921727,1.253478527,1.086835353,0.751843384,0,0,463.8963742,362.3785592,20.23586885,134.1324336,-104.7792584,-18.02598678,329.7639406,467.1578176,38.26185563,0.775709076,0.605955022,0.033837615,0.224290924,-0.175207711,-0.030142339,277.4233957,216.7128178,12.10163253,80.21505939,-62.66101497,-10.78005939,0.334355743,0.403695792,9.62125906,2.552289116,521.0385739,76.99023394,0.871259991,0.128740009,648.0661598,25.45714359,8.653791915,783.6846649,27.99436845,9.219636166,1130.103178,33.61700728,10.41612138,1.865661254,1.864284682,789.9837502,715.9491096,116.6236286,1.103407686,6.773788121,6.138971305,4.417705515,4.338526665,8.546762524,0.969968882,3.917833806,5.241530381,4.531111976,14.5935035,4.111972484,5.450800518,4.555051566,8.928278542,4.983303597,4.509352418,3.812151706,4.818229994,3.472409252,1.428895332,1.105747132,1.810488092,2.40E-09,6.89E-40,3.82E-92,4.09E-166,8.44E-262,0,0,0,0,0,0,0,0,0,0.345304163,5.392468607,0.402235721,5.47530325,0.164840459,1.954517309,1.161737572,0.605523457,1.660501455,0.315597533,1.973575808,0.272902992,0.272184391,0.010110873,0.02010062,0.012751416,1.69E-11,4.85E-42,2.69E-94,2.88E-168,5.94E-264,0,0,0,0,0,0,0,0,0,1.067266495,5.111387977,0.912003102,6.220839544,0.439994493,2.256574099,1.42815943,1.575020343,1.593888835,0.881067373,2.33155462,0.96616899,0.82116557,0.104945039,0.112789427,0.132879583,1.76E-10,5.06E-41,2.81E-93,3.00E-167,6.19E-263,0,0,0,0,0,0,0,0,0,3.703230625,5.392091234,5.012409177,15.27660133,3.953885656,5.582885641,4.307604211,8.673218761,5.024657435,4.56569645,3.693580887,4.456998628,3.239612542,1.273135194,0.993678848,1.613112294,2.14E-09,6.14E-40,3.41E-92,3.64E-166,7.52E-262,0,0,0,0,0,0,0,0,0,1.565372702,5.004588602,1.144901326,6.772825893,0.723327099,2.506929612,1.735463577,2.327240018,1.795516309,1.250078135,2.582408638,1.511711812,1.228978795,0.227876963,0.214694857,0.28863221,3.82E-10,1.10E-40,6.09E-93,6.52E-167,1.35E-262,0,0,0,0,0,0,0,0,0,4.731374743,5.337015147,6.256065589,18.39513022,5.955486929,6.842382887,5.949515615,12.19470837,6.350936096,6.064326658,4.258558177,6.24991302,4.376226561,2.08383939,1.572467489,2.640426729,3.50E-09,1.01E-39,5.58E-92,5.97E-166,1.23E-261,0,0,0,0,0,0,0,0,0,2.456710395,5.007369144,4.902580714,15.96604617,2.987403916,5.501662916,2.965026219,6.61549403,6.806365219,4.546345974,2.801831815,2.318609101,2.132346572,0.486328482,0.430758534,0.616068864,8.15E-10,2.35E-40,1.30E-92,1.39E-166,2.87E-262,0,0,0,0,0,0,0,0,0,7.451670069,1.157661035,0.518522907,0.816366044,0.126827295,0.592114042,0.461268692,0.412971555,9.127854011,13.09064348,26.69153953,0.724549066,1.466354289,5.404784136,0.751070599,0.163803783,0.855233573,0.118846706,0.315016855,0.203333911,0.040035237,6.319658518,5.06772675,12.05232616,0.78285036,0.558386002,6.528013327,0.877627272,0.303427782,0.846796656,0.113843493,0.455121981,0.269110545,0.141847745,7.709068381,7.97623963,17.42369509,0.770194984,0.866080272,7.231212341,1.144488399,0.500734157,0.814652777,0.128935593,0.557939576,0.454116924,0.386496583,8.876434897,12.47003808,25.49056821,0.721979166,1.398553084,7.013316084,0.952254223,0.371156286,0.841255378,0.114223996,0.524555824,0.312703085,0.211229883,8.336726593,9.634931345,20.45041029,0.761883068,1.048488792,7.516279263,1.194081383,0.544100834,0.812178999,0.129027646,0.602437065,0.490814067,0.454977765,9.25446148,13.71436363,27.85215684,0.718268499,1.548228897,7.304784262,1.159454505,0.504553672,0.814466865,0.129276546,0.569427321,0.466671042,0.392430447,8.96879244,12.74022778,25.98237035,0.721700298,1.42852881 +UMLYSI0247,L,1-octanol,CCCCCCCCO,saturated alcohols,C8H18O,111-87-5,957,PubChem,,41.1,0,-2.1254,4.51732516,30.6451,26.884274,0,0,27,9,18,0,8,0,1,0,0,0,0,0,0,0,1428.370121,1423.960324,1463.375979,1293.036914,1096.280185,899.523456,702.766727,506.009998,309.253269,4164.033391,5299.883923,6760.794109,6562.173119,5555.374775,4548.57643,3541.778085,2534.97974,1528.181395,194.608196,193.288408,354.932916,466.72808,403.84318,340.95828,278.07338,215.18848,152.30358,30.95743629,40.32666126,56.99473432,59.53314099,50.51161213,41.49008327,32.46855441,23.44702555,14.42549669,4528.323871,3829.171409,7727.33097,11056.23477,9577.279613,8098.324457,6619.369302,5140.414147,3661.458992,73.75,58.5,91.25,105,92.75,80.5,68.25,56,46,52.90259707,54.76770477,29.8648159,19.59146839,19.2329857,18.740072,18.01965967,16.86699993,14.72634614,154.2234589,203.8416894,137.97539,99.42686545,97.46271534,94.76200895,90.81482268,84.49932466,72.77054261,7.207710963,7.434169538,7.243528898,7.071637576,7.08496807,7.1032975,7.130086667,7.172949333,7.252551429,1.146571714,1.551025433,1.163157843,0.902017288,0.886168634,0.864376735,0.832527036,0.781567518,0.686928414,167.7156989,147.2758234,157.700632,167.5187086,168.0224493,168.7150929,169.727418,171.3471382,174.3551901,2.731481481,2.25,1.862244898,1.590909091,1.627192982,1.677083333,1.75,1.866666667,2.19047619,0.23846303,-0.100499992,-0.038271673,0.015330384,0.001317743,-6.51E-05,-3.72E-04,0.001101213,0.009991175,800.2177743,-66.87771673,-372.1134905,6.173489646,5.977142189,5.780794733,5.584447276,5.388099819,5.191752362,1266.51806,-76.37381503,-608.3916341,-13.75540031,-14.18069258,-14.60598486,-15.03127714,-15.45656942,-15.8818617,1.122666963,-0.081912483,-0.173756192,0.003751572,-0.006426996,-0.016605564,-0.026784132,-0.0369627,-0.047141267,5.603020215,-0.228978216,-2.510503414,-0.14450754,-0.153809071,-0.163110602,-0.172412133,-0.181713664,-0.191015195,30.80423065,-1.077902146,-13.31497016,-0.931087099,-0.999716544,-1.068345989,-1.136975434,-1.20560488,-1.274234325,24.40740741,-2.133058985,-3.054183813,-0.144032922,-0.452674897,-0.761316872,-1.069958848,-1.378600823,0.562757202,0.008831964,-0.003865384,-7.81E-04,2.32E-04,2.31E-05,-1.36E-06,-9.54E-06,3.67E-05,4.76E-04,29.63769534,-2.572219874,-7.594152868,0.093537722,0.104862144,0.120433224,0.143190956,0.179603327,0.247226303,46.90807629,-2.937454424,-12.4161558,-0.208415156,-0.24878408,-0.304291351,-0.385417363,-0.515218981,-0.756279128,0.041580258,-0.00315048,-0.003546045,5.68E-05,-1.13E-04,-3.46E-04,-6.87E-04,-0.00123209,-0.002244822,0.207519267,-0.008806854,-0.051234764,-0.002189508,-0.002698405,-0.003398138,-0.004420824,-0.006057122,-0.009095962,1.140897431,-0.041457775,-0.271734085,-0.01410738,-0.017538887,-0.022257208,-0.029153216,-0.040186829,-0.060677825,0.903978052,-0.08204073,-0.062330282,-0.002182317,-0.007941665,-0.015860768,-0.027434842,-0.045953361,0.026797962,-0.437658518,-0.088434977,0.026299762,0.002617572,-1.54E-04,-0.001080185,0.004156164,0.053869131,-0.086788795,-0.256232908,0.003156039,0.003538134,0.004063515,0.00483138,0.006059963,0.008341617,-0.062621507,-0.264691217,-0.004443055,-0.005303651,-0.006486971,-0.008216439,-0.010983588,-0.016122578,-0.075768652,-0.085281932,0.001367043,-0.002711727,-0.008320036,-0.016516795,-0.02963161,-0.053987695,-0.042438731,-0.246891598,-0.010550867,-0.013003153,-0.016375046,-0.021303197,-0.02918824,-0.04383189,-0.036337863,-0.238175736,-0.012365161,-0.015372887,-0.019508509,-0.025552881,-0.035223876,-0.053184295,-0.090755224,-0.068951101,-0.002414126,-0.008785241,-0.017545524,-0.030349014,-0.050834598,0.029644483,1.383822756,0.835861369,0.620639161,0.718240117,0.827104629,0.983279994,1.227756651,1.655056831,1.436331741,1.35844346,0.889342129,0.891744412,0.895047552,0.899875218,0.907599483,0.921944547,1.557444022,1.45694568,0.941623957,0.928140771,0.909601391,0.882505374,0.839151747,0.758637868,1.049055543,0.896029915,0.64859063,0.731728023,0.846041938,1.013116122,1.280434816,1.77688382,1.595649943,1.467048754,0.947652394,0.933416266,0.913841589,0.885232445,0.839457815,0.754447789,1.598755806,1.460422742,0.944426203,0.93164113,0.914061655,0.888368576,0.84725965,0.770914502,1.065250379,0.864157196,0.633501173,0.724183372,0.848871396,1.031107739,1.322685888,1.750054195,54.25846884,27.25423442,43.68224279,54.45291329,6.050323699,27.25423442,0.25,0.022904546,0.00254495,-3.39877788,76.38735181,8.487483534,3.902235417,54.26204639,27.25565598,43.68409345,54.45591962,6.050657735,27.25565598,0.249265579,0.022838855,0.002537651,-3.401362825,76.47019488,8.49668832,3.90321095,57.47152872,28.53626712,45.39800233,57.16119968,6.351244409,28.53626712,-0.398994478,0.038893585,0.004321509,-2.922233353,64.15837029,7.12870781,3.745219106,54.2658012,27.257148,43.68603594,54.45907493,6.051008326,27.257148,0.2484948,0.022769902,0.002529989,-3.40408414,76.55753651,8.506392945,3.904238312,60.94721385,29.93245979,47.39137562,60.10542942,6.678381047,29.93245979,-1.082294264,0.112269298,0.012474366,-1.968169365,48.01264255,5.334738061,3.484317926,54.63368135,27.40340777,43.87702716,54.76834128,6.085371253,27.40340777,0.173134186,0.01597882,0.001775424,-3.722842065,87.75330552,9.75036728,4.027076578,55.37632514,27.95552265,45.35647806,55.76289716,6.195877462,27.95552265,0.666666667,0.042800887,0.004755654,-2.836076802,60.48355948,6.720395498,3.692134426,0,11.99629191,15.99794303,-0.42171935,0.069707482,3.935804408,7.229298344,8,26,26,26,8,0,0,0,0,0,19.677726,3.496223237,3.273514222,2.930179737,2.509012703,2.068479323,1.672795157,1.3708255,1.177989202,1.912429971,1.740986854,1.486937545,1.199079399,0.933443795,0.72823838,0.591517595,0.514448247,3.518925421,3.284454339,2.928832094,2.502688738,2.070375388,1.696129786,1.421246852,1.252414967,1.854814292,1.682560377,1.424247274,1.124817972,0.839791977,0.612762842,0.457436951,0.365522217,3.650445691,3.449407166,3.143884382,2.77908644,2.414521236,2.107415032,1.888344222,1.755708069,1.670364016,1.460111875,1.145556388,0.778632044,0.422905428,0.133108418,0.067355706,0.183711832,3.538944336,3.304423728,2.950079182,2.528435459,2.105621639,1.745591641,1.486271595,1.331652116,1.81845532,1.646367308,1.385239919,1.077513719,0.778912439,0.53692767,0.369526479,0.269529513,3.709923388,3.514736026,3.220732057,2.87482958,2.536459919,2.258381682,2.063953568,1.94752988,1.61399977,1.396133913,1.068237745,0.681290948,0.298995146,0.019972618,0.245644949,0.380061127,4.482001379,3.549558159,3.301328756,2.916151564,2.4770239,2.075831229,1.773322083,1.579966287,1.76084765,1.528986222,1.204062159,0.855803122,0.543418685,0.302940598,0.143854661,0.056597748,0,0,0,0,0,2,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.949747468,4.414213562,2.767766953,1.707106781,1.030330086,0.603553391,0.338388348,0.176776695,0.772194163,0.551776695,0.395395279,0.284517797,0.206066017,0.150888348,0.112796116,0.088388348,6.396961064,4.023334547,2.491373751,1.511667274,0.892133485,0.505833637,0.269290047,0.127916818,0.710773452,0.502916818,0.355910536,0.251944546,0.178426697,0.126458409,0.089763349,0.063958409,13.59124934,26.32119446,24.87843137,25.24,15.66722994,208.6661222,0.503379605,0.974859054,0.921423384,0.934814815,0.580267776,7.728374895,2.3392,40.4618,27.74218932,44.32390806,55.48437864,6.16493096,27.74218932,1.22E-15,1.36E-16,-30.90501477,2000019.329,222224.3699,13.05780066,96,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,1,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.660232269,0,8.422781951,0,0,0,0,0,0,0,0,0,0,0.660232269,0,0,0,0,0,0,0,0,0,0,0,0,0,2.139767731,0,0,0,0,0,0,0,0,0,0,0,2.21432831,0,7.862889739,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.422781951,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.660232269,0,8.422781951,0,0,0,0,0,0,0,0,0,0,0.660232269,0,0,0,0,0,0,0,0,0,0,0,0,0,0.212345679,0,0,0,0,0,0,0,0,0,0,0,2.21432831,0,0.3671875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.422781951,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.660232269,0,8.422781951,0,0,0,0,0,0,0,0,0,0,0.660232269,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.21432831,0,1.35260771,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.422781951,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.5,2.055555556,0.660232269,8.422781951,0.212345679,0.3671875,4.746502684,1.1328125,2.422781951,5.274220522,1.1328125,2.422781951,5.274220522,4.33333,0.48148,0,0.01852,0.46173,0.78519,0.42414,0.46173,0.73667,0.03759,0,-0.03759,0.04852,0.61321,0.10108,0,0.19231,0,0,4.25,0.47222,4.25,0.47222,0,0,-4.25,-0.47222,0,0,8.52428,0.94714,9.36685,0.84257,0.09362,4.07596,0.45288,4.41421,0.33826,0.03758,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,8.01,1,1,1,1,1,1,1,1.086048612,1.606863676,2.61509352,3.217488428,3.078549542,2.548831102,29.32331253,43.38531925,70.60752505,86.87218755,83.12083763,68.81843975,0.228406794,0.337939368,0.549980103,0.676669727,0.647449501,0.53604446,3.66883889,3.148023826,2.139793982,1.537399074,1.67633796,2.2060564,0.231052556,0.341853906,0.556350826,0.684507965,0.654949266,0.542253758,9.449442117,13.43085253,17.50433331,18.61834918,16.50186776,14.38019088,33.3868056,28.20156166,23.45920604,21.31762918,25.10710445,28.53204629,9,8,8,9,0,8,2.23,1.2945,0,2.070996629,0,0,9.333258269,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.385,0.375,0.449,0.205,4.616,7,6,5,4,3,2,1,0,0,45,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0.75,8,1,0,4,8,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0,0,0,0.0625,0.031746032,0.020833333,0.016,0.013888889,0.013605442,0.015625,0,0,0,0.174198696,27.74218932,44.32390806,55.48437864,6.16493096,27.74218932,1.22E-15,1.36E-16,-30.90501477,2000019.329,222224.3699,13.05780066,20.23,155.7145624,4.169925001,3.433987204,4.043051268,4.672828834,5.303304908,5.942799375,6.580639137,7.22329568,7.863651265,8.507344855,70.57090253,2.833213344,0,3.80666249,0,4.919980926,0,6.098074282,0,7.311218384,7.671360923,130.1357652,4.819843155,16.82976754,1.869974171,2.410977519,2.410977519,0,120,6,3.127,30,1.227923077,2.128750895,2.843730516,3.555530911,4.896397664,5.882841333,7.191897231,8.230902348,9.429326702,9.871696899,78.91090558,70.90531684,68.3524011,89.70086307,110.1053634,127.4627505,139.5260299,138.6857922,56.78408406,10.03027584,276.4511081,313.514453,311.7474117,411.3284482,512.1505485,595.3977832,652.8006156,639.0430621,489.040805,306.8493035,9.155826991,15.46911114,20.17851379,25.48067633,34.98068381,42.2853267,51.88206408,60.16399576,70.65838318,66.32264023,2.045513112,2.594616169,2.72312044,3.555996115,4.51440713,5.267459467,5.874708244,5.862010865,4.954027808,4.389083834,178.400665,332.4456586,472.9718849,583.7754669,817.5975453,985.7281391,1223.60667,1426.271193,1719.006249,1825.451012,2.825019231,4.054992264,4.675434414,6.310860771,8.612776448,10.96334076,14.06309372,19.24587568,22.92212423,9.871696899,0.438605158,0.566597402,0.602348824,0.79089662,1.015700675,1.203073808,1.37777301,1.456312331,1.335162997,1.010861762,445.21257,337.3264336,19.36749107,170.459684,-129.1530409,-22.90892418,274.7528861,466.4794745,42.27641524,0.723132425,0.547899359,0.031457469,0.276867575,-0.20977564,-0.03720961,274.1050265,207.6825257,11.92402688,104.9472979,-79.51594381,-14.10438898,0.276798823,0.522263126,9.564683522,19.64784182,543.4970344,72.1752196,0.882770063,0.117229937,532.2508829,23.07056313,8.104112543,714.9614284,26.73876266,8.941853238,832.1223522,28.84653103,9.405799772,2.957519829,2.957519829,1426.292315,1398.25304,54.71475489,1.020053076,26.06778222,25.55531945,4.803650024,5.645455692,10.45493355,0.85192022,5.455646818,7.022422225,4.486184502,29.41057643,11.29598995,0.093824229,6.010462685,5.34349025,16.67187132,0.790788799,2.037399439,12.7054291,4.033225377,9.037697639,1.354288307,1.600818241,1.552450511,3.636945486,0.065853779,1.632813573,2.50E-13,7.40E-48,4.22E-104,4.64E-182,9.83E-282,0,0,0,0,0,0.477759684,7.149147371,0.389440623,6.351228116,0.082240703,0.023788292,0.831246634,0.191333668,4.536445049,0.024105047,0.224240958,0.823993494,0.126378894,2.288104293,0.057199399,0.422148548,0.106409561,0.177843465,0.054002929,0.182485124,2.80E-14,8.27E-49,4.71E-105,5.18E-183,1.10E-282,0,0,0,0,0,1.422817417,6.912933389,1.007773577,7.895102163,0.835952518,0.01903842,1.674697902,0.787048028,5.95469281,0.105660597,0.387450817,2.762012607,0.547686492,3.252777141,0.221847518,0.501388436,0.355591769,0.556125846,0.030750737,0.316142481,4.84E-14,1.43E-48,8.16E-105,8.98E-183,1.90E-282,0,0,0,0,0,5.372643628,7.148941221,4.717476051,27.12734693,10.06637073,0.091410917,6.307925764,4.86678169,16.25833882,0.717341344,1.907903127,11.85205524,3.660984304,8.877763463,1.239463949,1.594733958,1.449222833,3.545618084,0.076440852,2.050721889,3.14E-13,9.29E-48,5.30E-104,5.82E-182,1.24E-281,0,0,0,0,0,2.030070267,6.823189176,1.355164863,9.853009576,1.809200513,0.021876561,2.142205112,1.331368599,7.078938872,0.183897444,0.563735945,4.225317,0.948591922,3.946119453,0.364599619,0.60969196,0.539904624,0.853202072,0.023461923,0.313076391,4.80E-14,1.42E-48,8.08E-105,8.89E-183,1.89E-282,0,0,0,0,0,6.769113832,7.102725589,5.931697833,40.00418826,16.46539168,0.131106926,7.727828493,7.291679003,21.3407829,1.092833626,2.731435563,16.24440936,5.562579655,11.32770074,1.819645141,1.98589786,1.959328789,5.042877785,0.085979322,2.384737763,3.65E-13,1.08E-47,6.16E-104,6.77E-182,1.44E-281,0,0,0,0,0,4.839972736,7.82125243,5.679712144,17.00087166,4.634193395,0.095564974,7.538618087,2.598130212,14.40182936,0.373283587,1.363824512,7.714278678,1.912993867,8.428206644,0.681680351,1.69118258,1.143134488,3.254723278,0.209032895,4.011946708,6.15E-13,1.82E-47,1.04E-103,1.14E-181,2.42E-281,0,0,0,0,0,10.31147648,0.815941468,0.490154894,0.887575797,0.070233385,0.562560719,0.663246898,0.592582497,11.61757284,13.86771962,29.60924069,0.831363696,1.818390114,10.86005793,0.317895023,0.102433795,0.962738084,0.028181217,0.624248127,0.100157434,0.025880262,11.28038674,4.597358512,16.23138343,0.944107127,0.750285823,9.957084731,0.526844516,0.263796494,0.926436436,0.049019163,0.524556576,0.276523057,0.171640658,10.74772574,8.011459266,20.14301802,0.889654654,0.97272029,10.5299378,0.795782091,0.474598081,0.892343564,0.067437343,0.586668004,0.630996443,0.555563991,11.80031797,13.75470086,29.5319305,0.838515347,1.773228438,9.742944567,0.62078864,0.33727135,0.910470089,0.058012183,0.502242773,0.383304299,0.280569873,10.70100456,9.543699598,22.2846256,0.865705133,1.166116944,10.42767116,0.849438185,0.516437627,0.884184477,0.072025675,0.575313936,0.718923112,0.657836377,11.79354697,14.68158565,31.0495626,0.826276715,1.952073425,10.5629672,0.79759751,0.476121452,0.892392267,0.067383514,0.590353545,0.633881704,0.559136227,11.83668616,13.8340049,29.68201256,0.838588401,1.783371476 +UMLYSI0248,L,"3,3-dimethyl-1-butanol",CC(C)(C)CCO,saturated alcohols,C6H14O,624-95-3,12233,PubChem,,40.9,0,1.3631,1.85804161,30.8554,20.697102,0,0,21,7,14,0,6,0,1,0,0,0,0,0,0,0,1135.777623,1087.00373,1439.156932,1099.161888,817.960383,199.753344,9.144576,0,0,3192.664609,3993.903654,5609.082126,6054.328124,4204.910356,1641.839924,279.7536999,0,0,152.653308,149.736848,269.545048,348.143304,459.751572,227.52576,60.466176,0,0,23.60118467,30.29468402,44.63862689,53.53084856,42.73153549,16.15657709,4.001516144,0,0,3535.064551,2963.092506,5895.32731,7526.01258,11601.12039,5454.54387,1664.258868,0,0,68.0625,50.625,76.125,100,109.75,78,9,0,0,54.08464871,54.3501865,38.8961333,22.899206,12.39333914,6.6584448,1.016064,0,0,152.0316481,199.6951827,151.5968142,126.1318359,63.71076298,54.72799748,31.08374443,0,0,7.269205143,7.4868424,7.285001297,7.2529855,6.965932909,7.584192,6.718464,0,0,1.123865937,1.514734201,1.206449375,1.115226012,0.647447507,0.53855257,0.444612905,0,0,168.3364072,148.1546253,159.3331705,156.7919287,175.7745514,181.818129,184.917652,0,0,3.241071429,2.53125,2.057432432,2.083333333,1.662878788,2.6,1,0,0,0.228215565,-0.103418359,-0.012459757,-0.03744706,0.092637807,-0.097848439,0.044428027,0,0,638.6281311,-66.44114433,73.72258594,-756.1903206,497.0356326,-201.3685351,133.9277159,0,0,965.983639,-78.0117429,212.2078512,-1293.226595,407.2297997,68.13968091,200.6691865,0,0,1.082321143,-0.089402612,-0.092309633,-0.263560327,0.502911265,-0.679293061,0.080493796,0,0,4.253148428,-0.249912087,1.125369855,-5.483649925,0.370581271,1.338031723,0.773004949,0,0,23.45618849,-1.219488698,6.374416657,-29.31538615,-0.362227906,8.789303821,4.005288032,0,0,24.48809524,-4.387471655,0.208475057,-9.630527211,15.14158163,-15.32227891,1.746173469,0,0,0.010867408,-0.005170918,-3.37E-04,-7.80E-04,0.001403603,-0.003261615,0.004936447,0,0,30.41086339,-3.322057216,1.992502323,-15.75396501,7.530842917,-6.712284502,14.88085733,0,0,45.9992209,-3.900587145,5.735347331,-26.94222073,6.170148481,2.271322697,22.29657628,0,0,0.051539102,-0.004470131,-0.002494855,-0.00549084,0.007619868,-0.022643102,0.008943755,0,0,0.202530878,-0.012495604,0.030415401,-0.114242707,0.005614868,0.044601057,0.085889439,0,0,1.116961357,-0.060974435,0.172281531,-0.610737211,-0.005488302,0.292976794,0.445032004,0,0,1.166099773,-0.219373583,0.005634461,-0.200635984,0.229417904,-0.51074263,0.194019274,0,0,-0.475818892,-0.030987169,-0.07178778,0.129157123,-0.300128116,0.45424332,0,0,-0.109239161,0.065519426,-0.518037414,0.247636603,-0.220719958,0.489327026,0,0,-0.084796809,0.124683575,-0.585710371,0.134135934,0.049377417,0.48471639,0,0,-0.0867328,-0.048407032,-0.106537365,0.147846341,-0.439338311,0.17353339,0,0,-0.06169728,0.150176614,-0.564075504,0.027723515,0.220218556,0.424080712,0,0,-0.054589565,0.154241264,-0.546784549,-0.0049136,0.262298057,0.398430976,0,0,-0.188125912,0.004831886,-0.172057304,0.196739515,-0.437992222,0.166383082,0,0,1.392578911,0.754358102,0.767030482,0.364236891,2.656978111,1.518970079,0,0,1.420617299,1.016715038,1.573601155,0.470888295,1.245257159,0,0,0,1.575881923,1.064139172,1.791336861,0.58119195,0.492212471,0,0,0,1.044336986,0.863911045,0.75723212,0.399372866,3.148093357,0,0,0,1.628819317,1.073467053,1.813424256,0.654169952,0.249525052,0,0,0,1.633454525,1.071927766,1.797398893,0.672740717,0.233118266,0,0,0,1.163830822,0.805686581,0.850221804,0.348422239,3.103548858,0,0,0,26.1215319,13.18576595,19.69406623,26.30010333,3.757157618,13.18577108,0.25,0.102410743,0.014630106,-1.59513456,21.82172021,3.117388601,2.15803407,26.12488776,13.18707667,19.6962354,26.3029346,3.757562086,13.1870818,0.249265579,0.10253578,0.014647969,-1.594280425,21.82507108,3.117867297,2.158141551,29.12775489,14.36438021,21.79613088,28.84275883,4.120394119,14.36438164,-0.398994478,0.213637849,0.030519693,-1.080431094,29.4976458,4.213949401,2.36901732,26.12840988,13.18845234,19.69851245,26.30590617,3.757986596,13.18845746,0.2484948,0.10266702,0.014666717,-1.593385043,21.82859409,3.118370584,2.158254536,32.35754213,15.63762393,24.38345832,31.5844748,4.512067829,15.63762432,-1.082294264,0.317030164,0.045290023,-0.804130848,33.73656436,4.819509195,2.463007572,26.47341489,13.32327454,19.92364755,26.59708217,3.799583167,13.32327894,0.173134186,0.115553371,0.016507624,-1.510615939,22.2057918,3.172255972,2.170247203,31.68706002,16.09769667,24.7228532,32.05015525,4.578593608,16.09769696,0.508333333,0.054323556,0.007760508,-2.038958139,19.17604,2.739434286,2.067563108,0,11.99635526,15.9979425,-0.42167202,0.070146814,4.10349464,8.388377871,6,20,20,20,6,0,0,0,0,0,15.304898,3.552577024,2.963221211,2.333552793,2.333552793,2.017422683,1.236166952,0.464852296,0.083923071,1.913816283,1.456349713,1.249629723,1.249629723,0.807367732,0.388985184,0.083923071,0.083923071,3.566964249,2.91030787,2.405454588,2.405454588,1.92497906,1.190272178,0.569897214,0.270913902,1.863899294,1.420911352,1.134540686,1.134540686,0.750428937,0.328726276,0.270913902,0.270913902,3.682553049,3.15851485,2.704236987,2.704236987,2.341295306,1.758879917,0.966354442,0.943918427,1.695530279,1.118239535,0.76031856,0.76031856,0.278924879,0.291433617,0.943918427,0.943918427,3.582506287,2.918115142,2.457539916,2.457539916,1.93616439,1.207122704,0.643692395,0.399277246,1.832821791,1.39972668,1.058262671,1.058262671,0.714607744,0.263096199,0.399277246,0.399277246,3.733378149,3.221310531,2.838982085,2.838982085,2.443899265,1.922801922,1.207644823,1.207644823,1.647476107,1.048999086,0.631337262,0.631337262,0.16318943,0.453824954,1.124415168,1.207644823,4.213103859,3.530747122,2.634654398,2.634654398,2.595056878,1.674727639,0.644213487,0.585365854,1.808973837,1.203134327,0.878556837,0.878556837,0.423687355,0.290141656,0.585365854,0.585365854,0,0,0,0,0,4,1,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.560660172,0.353553391,0,0,0.75,1,0.25,0.75,0.585410197,0.111803399,5.914213562,3.060660172,3.310660172,1,0.75,0,0,0,0.844887652,0.510110029,0.413832521,0.25,0.25,0,0,0,5.361427158,2.669781157,3.03426697,0.861803399,0.335410197,0,0,0,0.765918165,0.444963526,0.379283371,0.21545085,0.111803399,0,0,0,10.50759373,20.54552076,19.42745098,19.72,12.07012096,162.609612,0.500361606,0.978358131,0.925116713,0.939047619,0.574767665,7.743314856,1.4149,31.1578,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,38,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.656388889,0,8.401875,0,0,0,0,0,0,0,0,0,0,0.656388889,0,0,0,0,0,0,0,0,0,0,0,0,0,1.481111111,0,0,0,0,0,0,0,0,0,0,0,6.342916667,0,1.204861111,0,0,0,0,0,0,0,0,0,0.300347222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.401875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.656388889,0,8.401875,0,0,0,0,0,0,0,0,0,0,0.656388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,2.114305556,0,0.309027778,0,0,0,0,0,0,0,0,0,0.300347222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.401875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.656388889,0,8.401875,0,0,0,0,0,0,0,0,0,0,0.656388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.114305556,0,0.895833333,0,0,0,0,0,0,0,0,0,0.300347222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.401875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.25,2.321428571,0.656388889,8.401875,0.0625,0.300347222,3.394468125,1.190972222,2.401875,5.489583333,1.190972222,2.401875,5.489583333,3.33333,0.47619,0,0.02381,0.46984,0.80952,0.42174,0.46984,0.74583,0.0481,0,-0.0481,0.06369,0.58823,0.12606,0,0.55,0,0.15,3.25,0.46429,3.25,0.46429,0,0,-3.25,-0.46429,0,0,6.92044,0.98863,7.77542,0.85498,0.12214,2.7224,0.38891,3.06066,0.33826,0.04832,0.35334,0.05048,0.35334,0.05048,0,6.01,1,1,1,1,1,1,1,1.115520094,1.875145811,2.616878732,2.616878732,2.407720759,1.666326964,23.42592197,39.37806204,54.95445336,54.95445336,50.56213594,34.99286625,0.253970737,0.426914913,0.595785432,0.595785432,0.548166384,0.379373074,3.276797329,2.517171611,1.775438691,1.775438691,1.984596664,2.725990459,0.258107046,0.433867887,0.605488725,0.605488725,0.557094127,0.385551756,9.935135927,16.33021075,17.07774775,17.07774775,14.56785208,9.222454798,25.72285013,18.43414611,18.87343151,18.87343151,17.61848368,14.46243231,7,2.34375,6,7,0,4,2.01,1.0127,1.5,2.449489743,0,3,1,0,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.436,0.422,0.37,0.184,3.206,8,4,3,0,0,0,0,0,0,28,1.945910149,2.197224577,1.609437912,1.386294361,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,3,0.666666667,0.375,0,0,0,0,0,0,0,0.5,0.083333333,0.09375,0,0,0,0,0,0,0,0.677083333,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,20.23,121.1225932,3.807354922,3.36729583,3.970291914,4.812184355,5.433722004,6.285998095,6.91274282,7.767687277,8.395929104,9.25157828,69.19742968,2.564949357,0,3.80666249,0,5.198497031,0,6.650279049,0,8.123557835,8.386628821,102.1044651,4.862117384,12.44898539,1.778426484,2.373160172,2.373160172,0,46,4,1.965,28,1.2214,2.115866059,2.9255307,3.405565564,4.068857591,4.777450763,0,0,0,0,77.91771384,93.70525662,72.52645844,51.17574854,30.43227867,4.854195732,0,0,0,0,269.3444456,350.9950397,379.8927984,231.4332957,235.7926858,148.5010585,0,0,0,0,9.169769619,15.48844222,21.25171919,23.88373907,31.40243887,32.09713096,0,0,0,0,1.986542612,2.731497863,3.318432815,2.262499359,2.23538609,2.124116261,0,0,0,0,178.525005,332.4266842,457.1527115,596.3730842,738.5684708,883.4349777,0,0,0,0,3.13434375,4.550001803,6.181131299,6.17230692,11.57715801,4.777450763,0,0,0,0,0.431093955,0.596235565,0.734233864,0.541424878,0.622770903,0.489210958,0,0,0,0,353.7925511,225.2105378,16.28577073,114.8899168,-73.1344396,-19.1832828,238.9026342,298.3449774,35.46905353,0.754866195,0.480518375,0.034747984,0.245133805,-0.156042619,-0.040930233,165.816366,105.5522307,7.632855219,53.84688977,-34.27682964,-8.990868325,0.329463997,0.621599692,11.38450962,23.38494107,396.5072483,72.1752196,0.846004012,0.153995988,408.0877446,20.20118176,7.417391191,552.0501458,23.4957474,8.203380253,693.3016715,26.33062232,8.8506279,1.393126442,1.175486662,340.2056969,335.3608605,119.6902265,1.014446636,2.842384937,2.801906808,3.835449824,3.22022378,5.518795453,0.713792528,4.340044604,5.125409811,4.505397146,18.20166286,2.619104473,6.97652186,5.286345715,6.113034345,3.554436357,2.036407447,1.76E-10,3.08E-42,1.04E-95,6.80E-171,8.56E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.38413492,5.252197123,0.335432573,7.77956788,1.015904066,0.313350423,0.316204147,0.276100159,0.22631816,0.216563219,1.96E-11,3.44E-43,1.16E-96,7.60E-172,9.57E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.120585269,5.01597883,0.870078897,9.347079422,1.142219093,0.997998389,0.825089551,1.003483902,0.407653856,0.38162465,3.40E-11,5.96E-43,2.02E-96,1.32E-171,1.66E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.319606141,5.251935576,4.697313253,17.61299237,2.449874773,6.676512698,4.836176726,5.692878115,3.468052322,2.519178386,2.21E-10,3.87E-42,1.31E-95,8.54E-171,1.07E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.584635688,4.926229169,1.189307976,10.54827808,1.288591301,1.583227009,1.326253279,1.614919603,0.62033416,0.387058187,3.37E-11,5.91E-43,2.00E-96,1.30E-171,1.64E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.421862594,5.205684746,6.13631831,21.47545506,3.326396681,9.718786972,7.235461478,8.256333996,5.161438981,2.973968569,2.56E-10,4.50E-42,1.52E-95,9.93E-171,1.25E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.762207914,4.958526413,4.52695026,14.83309174,1.619590405,4.719595478,2.41050781,3.19285873,2.794574991,4.005415444,3.61E-10,6.33E-42,2.14E-95,1.40E-170,1.76E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.547350974,1.208874947,1.106916292,0.523807625,0.248578983,0.480054531,0.505437467,0.461348607,4.863142213,7.237256442,15.50906854,0.285711438,1.446840605,2.83695679,0.610253578,0.562359835,0.707546357,0.15219925,0.595140129,0.128874628,0.119077099,4.009570203,3.669835686,8.652998683,0.561319535,0.843091856,2.362780816,0.882289396,0.813916861,0.582110949,0.21736689,0.413248912,0.26884332,0.249436352,4.058987073,4.72587382,10.48159793,0.373166423,0.931528584,2.661894034,1.176635505,1.07639307,0.541594293,0.239400617,0.524028329,0.479137315,0.436256028,4.91492261,7.263845629,15.5501164,0.312391439,1.439421672,2.248488214,1.000307486,0.922870181,0.538990484,0.239786098,0.37468178,0.34443777,0.320686651,4.171665881,5.247396269,11.49476293,0.308485727,1.0398062,2.607984817,1.243382083,1.137391842,0.522772287,0.249236764,0.503086638,0.534914849,0.487101955,4.988758741,7.623234884,16.30023871,0.284158431,1.525103442,2.656298817,1.180916465,1.081518619,0.540037105,0.240085455,0.521837895,0.482616784,0.440420632,4.918733901,7.286886782,15.59820076,0.310055658,1.444875311 +UMLYSI0249,L,"3,3-dimethyl-2-butanone",CC(=O)C(C)(C)C,saturated alkanone,C6H12O,75-97-8,6416,PubChem,,40.6,0,1.3023,1.69598529,29.8972,19.363516,0,0,19,7,12,0,6,0,1,0,0,0,0,0,0,0,1133.745495,1058.76965,1551.654649,1420.877946,390.50424,27.433728,0,0,0,3130.497121,3797.153407,5319.921646,5866.878594,3642.64287,839.2610996,0,0,0,139.21638,133.148048,238.884532,294.665664,394.756416,181.398528,0,0,0,22.71195886,28.64637172,40.89886658,47.39535326,36.86125788,12.00454843,0,0,0,3165.229247,2624.785681,5250.729546,5989.642315,9415.640954,4992.776605,0,0,0,81.34027778,48.58333333,75.5,129.75,126,27,0,0,0,59.67081553,58.82053611,47.01983785,36.43276785,7.23156,1.016064,0,0,0,164.7630063,210.9529671,161.2097468,150.4327845,67.45634944,31.08374443,0,0,0,7.327177895,7.397113778,7.238925212,7.555529846,7.310304,6.718464,0,0,0,1.195366256,1.591465096,1.239359593,1.215265468,0.682615887,0.444612905,0,0,0,166.591013,145.8214267,159.1130166,153.5805722,174.3637214,184.917652,0,0,0,4.281067251,2.699074074,2.287878788,3.326923077,2.333333333,1,0,0,0,0.12452032,-0.053499546,0.007300761,0.028849686,-0.064949222,0.020038162,0,0,0,605.7336044,-45.41908671,335.8574256,-646.0938369,-438.0322687,490.8209645,0,0,0,916.6964704,-95.75164029,460.9223123,-1191.172325,-367.7630187,735.4164369,0,0,0,1.062550737,-0.002447645,0.180926404,-0.30593046,-0.698818936,0.294995269,0,0,0,4.063287563,-0.461433045,1.592320871,-5.417910048,-0.577545513,2.832923954,0,0,0,22.47243353,-2.562605463,7.874740368,-29.68278983,-1.544221305,14.67865946,0,0,0,34.23464912,-2.838527239,6.550784857,-6.200946445,-23.54189751,8.913261773,0,0,0,0.006553701,-0.002972197,2.21E-04,7.40E-04,-0.001202763,7.42E-04,0,0,0,31.88071602,-2.523282595,10.17749774,-16.56650864,-8.11170868,18.17855424,0,0,0,48.24718265,-5.319535572,13.9673428,-30.54288014,-6.810426271,27.23764581,0,0,0,0.055923723,-1.36E-04,0.005482618,-0.007844371,-0.012941091,0.010925751,0,0,0,0.21385724,-0.025635169,0.048252148,-0.13892077,-0.010695287,0.104923109,0,0,0,1.18275966,-0.14236697,0.238628496,-0.761097175,-0.028596691,0.543654054,0,0,0,1.801823638,-0.157695958,0.198508632,-0.158998627,-0.435961065,0.330120806,0,0,0,-0.453514282,0.033757289,0.112872944,-0.183524296,0.11324199,0,0,0,-0.079147614,0.319236799,-0.519640419,-0.254439351,0.570205331,0,0,0,-0.11025588,0.289495511,-0.633050024,-0.141156973,0.564543758,0,0,0,-0.002431532,0.098037434,-0.140269108,-0.231406114,0.195368801,0,0,0,-0.119870476,0.225627842,-0.649595825,-0.050011341,0.490622199,0,0,0,-0.12036847,0.201755694,-0.643492673,-0.024177939,0.459648797,0,0,0,-0.087520196,0.110170956,-0.088243168,-0.241955459,0.183214827,0,0,0,1.183449754,0.717166958,1.357828382,1.351522979,0.003475816,0,0,0,1.212328523,0.668430832,1.658719626,1.156107476,0,0,0,0,1.492302918,0.824232269,1.789245095,0.873302294,0,0,0,0,0.521883785,0.4962809,1.426553562,1.659133949,0,0,0,0,1.578834284,0.911752046,1.84624147,0.749810149,0,0,0,0,1.583316226,0.931091325,1.855457767,0.729841505,0,0,0,0,0.619499071,0.48478928,1.383129746,1.664979822,0,0,0,0,22.42493772,11.33746886,16.08302545,22.60350915,3.229072736,11.33750274,0.25,0.028635584,0.004090798,-2.487173591,20.25272905,2.893247007,2.105802687,22.42667584,11.33797071,16.08372668,22.60472268,3.229246098,11.33800456,0.249265579,0.028613462,0.004087637,-2.487714576,20.25225659,2.893179513,2.105786357,23.97891149,11.7899585,16.76385228,23.69391543,3.384845062,11.78997751,-0.398994478,0.004288004,6.13E-04,-3.816353723,20.03537704,2.86219672,2.098249694,22.42850007,11.33849743,16.08446277,22.60599635,3.22942805,11.33853126,0.2484948,0.028590234,0.004084319,-2.488283064,20.25176109,2.893108726,2.10576923,25.64646551,12.28208562,17.65968928,24.87339818,3.553342597,12.28209662,-1.082294264,0.034392627,0.004913232,-2.358939141,20.77030361,2.96718623,2.123466979,22.60712901,11.3901316,16.15716197,22.73079628,3.247256612,11.39016307,0.173134186,0.026263105,0.003751872,-2.547713112,20.20511444,2.88644492,2.104155034,29.40396294,14.7717733,21.56685658,29.64137791,4.234482558,14.77177444,0.553968254,0.087155996,0.012450857,-1.708038999,19.22773609,2.746819442,2.069447677,0,11.89,15.99491614,-0.298910505,0.134945433,4.429621806,8.437044518,6,18,17,17,5,1,1,0,0,1,14.076484,3.625949312,2.926561176,2.333552793,2.333552793,2.062692723,0.701428237,0.083923071,0.083923071,1.887912932,1.459733488,1.249629723,1.249629723,0.469109913,0.083923071,0.083923071,0.083923071,3.596507584,2.896627598,2.405454588,2.405454588,1.938343398,0.656411601,0.270913902,0.270913902,1.857140013,1.394794361,1.134540686,1.134540686,0.579328898,0.270913902,0.270913902,0.270913902,3.714850034,3.118800143,2.704236987,2.704236987,2.325818658,1.035689692,0.943918427,0.943918427,1.695591189,1.106154657,0.76031856,0.76031856,0.174913045,0.943918427,0.943918427,0.943918427,3.598748101,2.909083207,2.457539916,2.457539916,1.917413065,0.664138282,0.399277246,0.399277246,1.840713736,1.35603307,1.058262671,1.058262671,0.613841836,0.399277246,0.399277246,0.399277246,3.746822966,3.189975453,2.838982085,2.838982085,2.377302211,1.207644823,1.207644823,1.207644823,1.661211198,1.032034453,0.631337262,0.631337262,0.118724308,1.122545048,1.207644823,1.207644823,4.614788958,3.359888454,2.728446144,2.578143557,2.578143557,1.060192444,0.549618321,0.549618321,1.785926949,1.171811324,0.929288595,0.929288595,0.057486124,0.549618321,0.549618321,0.549618321,0,0,0,1,0,4,0,0,1,0,0,0,0,0,0,0,0,0,0,1.654700538,0.288675135,0.866025404,0.288675135,1.352062073,0.25,0.306186218,0.102062073,2.598076211,0.577350269,0,1.362372436,0.352062073,0,6.077350269,2.943375673,3.520725942,1.732050808,0,0,0,0,0.868192896,0.490562612,0.391191771,0.288675135,0,0,0,0,5.40824829,2.454124145,2.806186218,1.056186218,0,0,0,0,0.772606899,0.409020691,0.311798469,0.176031036,0,0,0,0,9.965765927,18.6576839,17.70196078,17.96,11.27156647,146.3240515,0.524513996,0.981983363,0.931682147,0.945263158,0.59324034,7.701265868,1.6215,30.136,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,29,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,1,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46527778,0.243055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.917708333,0.401388889,0,0,0,0,0,0,0,0,0,0,7.347222222,0,0,0,0,0,0,0,0,0.243055556,0,0,-0.138888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46527778,0.243055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305902778,0.401388889,0,0,0,0,0,0,0,0,0,0,1.611111111,0,0,0,0,0,0,0,0,0.243055556,0,0,-0.138888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46527778,0.243055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305902778,0.401388889,0,0,0,0,0,0,0,0,0,0,1.912037037,0,0,0,0,0,0,0,0,0.243055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.91666667,2.55952381,0.487847222,10.46527778,0.201388889,-0.138888889,3.105701389,1.423611111,3.465277778,6.930555556,1.423611111,3.465277778,6.930555556,3.33333,0.47619,0,0.02381,0.48772,0.80952,0.42174,0.48772,0.80952,0.06598,0,-0.06598,0,0.58823,0.12606,0,0.7,0.15,0.15,4.75,0.67857,3.25,0.46429,1.5,0.21429,-1.75,-0.25,0,0,6.25126,0.89304,8.30939,2.05813,0.29402,2.23933,0.3199,2.94337,0.70404,0.10058,0.47063,0.06723,0.47063,0.06723,0,6.01,1,1,1,1,0,0,0.833333333,1.167436723,1.733483434,2.245869618,2.245869618,1.798719353,0.931100929,22.18129774,32.93618524,42.67152274,42.67152274,34.17566771,17.69091765,0.27482501,0.408077452,0.528697726,0.528697726,0.423434568,0.219189458,3.08049079,2.51444408,2.002057896,2.002057896,2.44920816,3.316826585,0.27482501,0.408077452,0.528697726,0.528697726,0.423434568,0.219189458,10.29981851,17.09237903,17.60877466,17.60877466,12.24297148,0.938386823,25.71846446,18.40595726,19.23847972,19.23847972,16.55557813,5.857099399,7,1.851851852,2.666666667,7,1,4,2.01,0.9697,2.449489743,0,2.37841423,3.363585661,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0.003,0.47,0.45,0.519,0.158,2.976,9,6,0,0,0,0,0,0,0,28,2.079441542,2.48490665,2.302585093,0,0,0,0,0,0,0,3.555348061,1.214285714,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,5,0.833333333,0,2,3,0.5,3.5,1.333333333,0,0,0,0,0,0,0,0,0.583333333,0.148148148,0,0,0,0,0,0,0,0,0.731481481,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,17.07,118.4861345,3.807354922,3.433987204,4.110873864,4.934473933,5.666426688,6.475432717,7.221835825,8.026496939,8.776630098,9.580040124,71.22619739,2.564949357,0,3.891820298,0,5.379897354,0,6.91671502,0,8.466531277,8.706821323,100.088815,5.267832369,12.29305504,1.75615072,2.327350269,2.327350269,0,42,6,0.932,30,1.230611111,2.119440392,2.995610946,3.490630658,4.015960935,0,0,0,0,0,82.68712511,114.1314826,114.4310045,26.04025167,4.080473331,0,0,0,0,0,283.9634567,377.9604261,460.6182399,241.1407354,124.8311033,0,0,0,0,0,9.132995542,15.46379929,22.65947187,25.55818355,26.98108896,0,0,0,0,0,2.091655824,2.833937087,3.688468367,2.426434841,1.785548057,0,0,0,0,0,177.3517926,331.7845318,459.1788721,606.5879713,742.6220666,0,0,0,0,0,3.355643519,5.212504014,10.11780563,8.241716132,4.015960935,0,0,0,0,0,0.447387083,0.62232229,0.851393651,0.586553662,0.4112344,0,0,0,0,0,341.4317584,158.3723897,14.06077726,125.0823152,-58.01916393,-14.56143271,216.3494433,216.3915537,28.62220997,0.731878796,0.339480412,0.030140092,0.268121204,-0.124367446,-0.031213276,159.2827205,73.88294868,6.559550478,58.35266038,-27.06675651,-6.793113292,0.290758323,0.644374507,13.29531369,27.52658156,423.7957766,42.71829698,0.90843085,0.09156915,444.2955983,21.07832058,7.630576257,560.5400313,23.67572663,8.245219299,776.1443884,27.85936805,9.189971699,1.218518268,1.130040166,255.8263003,210.6020596,156.6766561,1.214737885,1.632829719,1.344182757,3.575437091,3.217262303,5.271574427,0.638528019,3.360021677,4.829752387,5.115225283,12.87650744,5.218915669,9.197648631,6.616987482,7.491923403,2.705793418,0.010838214,1.81E-23,5.82E-66,3.61E-130,4.32E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.298477101,4.829556113,0.242070917,7.687512295,1.822801378,1.538822456,0.524728056,0.243044584,0.019057128,7.63E-05,1.27E-25,4.10E-68,2.54E-132,3.04E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.916142542,4.829451783,0.756683145,8.292446713,2.104310644,2.03978865,1.444411908,1.035973953,0.198589937,7.95E-04,1.33E-24,4.27E-67,2.65E-131,3.17E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.176697216,4.829789308,4.990907609,13.0669722,5.19038351,8.977950835,6.296056228,6.811603899,2.410813224,0.009656653,1.61E-23,5.18E-66,3.22E-130,3.85E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.34265012,4.82942819,1.165318934,8.772735142,2.337396241,2.670907919,2.129669347,1.782576527,0.431363871,0.001727853,2.88E-24,9.27E-67,5.76E-131,6.89E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.057735794,4.829914059,7.130049244,14.49348409,6.777039369,12.24818431,8.595122224,10.31198786,3.946145395,0.015806516,2.64E-23,8.48E-66,5.26E-130,6.30E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.068582055,3.772714142,3.502339048,14.20131514,4.855537077,8.064814664,4.188065303,3.036719349,0.817366896,0.003274011,5.46E-24,1.76E-66,1.09E-130,1.31E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.292338908,1.2046202,1.136289864,0.494758413,0.259994705,0.468738637,0.408646044,0.453526928,4.633248972,6.734956943,14.50595419,0.242137619,1.330911609,1.633962191,1.072407937,0.556749312,0.50073625,0.328645015,0.353759419,0.23820912,0.108326641,3.263119439,3.259043728,7.497740524,0.251104375,0.700295179,1.836640172,1.048632193,0.813097206,0.496608069,0.28353905,0.305939965,0.312455704,0.231170684,3.698369571,4.271966911,9.536329187,0.244912104,0.849566353,2.239788145,1.260928983,1.101803558,0.486643798,0.27396487,0.447942163,0.448683561,0.424826598,4.602520686,6.681316375,14.39556586,0.229965696,1.321452321,1.998635158,1.013832206,0.929464239,0.507019238,0.257191729,0.356712318,0.29053602,0.30281659,3.941931603,4.826261377,10.65154842,0.260528857,0.950064928,2.342796024,1.243225849,1.171899578,0.492399054,0.261296001,0.489618712,0.434849299,0.482311397,4.757921451,7.115082097,15.28630706,0.238598582,1.406779408,2.241776047,1.266356906,1.102309462,0.486238813,0.274671451,0.4487852,0.452642674,0.425192625,4.610442415,6.705936726,14.44571288,0.229358219,1.3266205 +UMLYSI0250,L,"2,3-dimethyl-2-butanol",CC(C)C(C)(C)O,saturated alcohols,C6H14O,594-60-5,11670,PubChem,,40.6,0,0.7067,0.49942489,30.6004,20.697102,0,0,21,7,14,0,6,0,1,0,0,0,0,0,0,0,1135.777623,1087.00373,1647.982869,1431.475342,443.044224,42.674688,0,0,0,3192.664609,3993.903654,5658.080712,6387.486367,4438.829887,1305.517266,0,0,0,152.653308,149.736848,269.848428,363.25012,450.157824,282.175488,0,0,0,23.60118467,30.29468402,43.90348382,52.53811832,45.94376003,18.673742,0,0,0,3535.064551,2963.092506,5889.768709,7660.213814,10824.73911,7766.541385,0,0,0,69.34027778,50.83333333,84.33333333,136.8333333,119,42,0,0,0,54.08464871,54.3501865,44.54007754,29.82240296,7.032448,1.016064,0,0,0,152.0316481,199.6951827,152.9211003,133.0726326,70.45761725,31.08374443,0,0,0,7.269205143,7.4868424,7.293200757,7.567710833,7.145362286,6.718464,0,0,0,1.123865937,1.514734201,1.186580644,1.094544132,0.729266032,0.444612905,0,0,0,168.3364072,148.1546253,159.1829381,159.5877878,171.8212558,184.917652,0,0,0,3.301917989,2.541666667,2.279279279,2.850694444,1.888888889,1,0,0,0,0.218415672,-0.124222038,0.059620019,-0.042644665,-0.053218472,0.05125732,0,0,0,638.6281311,-66.44114433,282.5485229,-647.3720246,-513.0454273,624.9960077,0,0,0,965.983639,-78.0117429,261.2064368,-906.4476879,-696.1950292,936.4562036,0,0,0,1.082321143,-0.089402612,0.211070367,-0.620649469,-0.417816571,0.375637714,0,0,0,4.253148428,-0.249912087,0.390226788,-3.403299424,-2.470945919,3.607356428,0,0,0,23.45618849,-1.219488698,0.815816028,-17.57666958,-12.43909615,18.69134415,0,0,0,24.80026455,-6.264802217,7.707404258,-10.15391156,-12.43551587,8.746693122,0,0,0,0.010400746,-0.006211102,0.001611352,-8.88E-04,-8.45E-04,0.001220412,0,0,0,30.41086339,-3.322057216,7.636446566,-13.48691718,-8.143578211,14.88085733,0,0,0,45.9992209,-3.900587145,7.059633428,-18.88432683,-11.05071475,22.29657628,0,0,0,0.051539102,-0.004470131,0.005704605,-0.012930197,-0.006632009,0.008943755,0,0,0,0.202530878,-0.012495604,0.01054667,-0.070902071,-0.039221364,0.085889439,0,0,0,1.116961357,-0.060974435,0.022049082,-0.366180616,-0.197445971,0.445032004,0,0,0,1.180964979,-0.313240111,0.208308223,-0.211539824,-0.197389141,0.208254598,0,0,0,-0.597178483,0.154926561,-0.085419882,-0.081218947,0.117338925,0,0,0,-0.109239161,0.251109167,-0.443490111,-0.26778517,0.489327026,0,0,0,-0.084796809,0.153472891,-0.410535797,-0.240236998,0.48471639,0,0,0,-0.0867328,0.110684981,-0.250881307,-0.128679174,0.17353339,0,0,0,-0.06169728,0.05207438,-0.350080305,-0.193656218,0.424080712,0,0,0,-0.054589565,0.019740237,-0.327836423,-0.176770637,0.398430976,0,0,0,-0.265240813,0.176388146,-0.179124553,-0.167142248,0.176342738,0,0,0,1.51240265,0.58954089,1.623765845,1.11695558,0.229285047,0,0,0,1.420617299,0.839962904,1.668887595,1.117498762,0,0,0,0,1.575881923,1.036720776,1.548879572,1.044086879,0,0,0,0,1.044336986,0.712394842,1.969455505,1.082869633,0,0,0,0,1.628819317,1.166897752,1.509720745,0.980663509,0,0,0,0,1.633454525,1.200023982,1.506897362,0.961888076,0,0,0,0,1.243826337,0.642520754,1.882983759,1.126460078,0,0,0,0,23.7460364,11.9980182,16.9527123,23.92460783,3.417801118,11.99803421,0.25,0.079951219,0.011421603,-1.768437016,19.47386947,2.781981353,2.078351478,23.74905434,11.99915996,16.95403181,23.92710118,3.418157312,11.99917595,0.249265579,0.079885938,0.011412277,-1.769008804,19.47432122,2.782045888,2.078367716,26.50779662,13.05440107,18.28148385,26.22280056,3.746114366,13.05440613,-0.398994478,0.003737595,5.34E-04,-3.912519005,21.37458776,3.053512537,2.14354191,23.752222,12.0003584,16.955417,23.92971829,3.418531184,12.00037437,0.2484948,0.079817379,0.011402483,-1.769609815,19.4747971,2.782113872,2.078384821,29.56232718,14.24001646,20.30940538,28.78925984,4.112751406,14.24001797,-1.082294264,0.165913708,0.023701958,-1.257401221,50.46429783,7.209185405,2.744886279,24.06343679,12.11828549,17.09264536,24.18710406,3.45530058,12.1182994,0.173134186,0.072869047,0.010409864,-1.833363927,19.53088625,2.790126607,2.080397986,31.48898672,15.96659984,24.01442267,31.80628169,4.543754527,15.96660014,0.444212963,0.113077629,0.016153947,-1.525776497,17.53728115,2.505325878,2.005030276,0,11.99635526,15.9979425,-0.414921179,0.087525509,5.206330986,8.116670047,6,20,20,20,6,0,0,0,0,0,15.304898,3.5729404,2.911185759,2.333552793,2.333552793,2.044345464,1.304558488,0.361241677,0.083923071,1.8930661,1.528068566,1.249629723,1.249629723,0.653172341,0.452243526,0.083923071,0.083923071,3.56166511,2.933694494,2.405454588,2.405454588,1.825847238,1.343086996,0.477908821,0.270913902,1.856249589,1.448513856,1.134540686,1.134540686,0.69682866,0.342155843,0.270913902,0.270913902,3.6886826,3.144614703,2.704236987,2.704236987,2.337199608,1.792403581,0.95923958,0.943918427,1.68093463,1.166790677,0.76031856,0.76031856,0.15257116,0.184492886,0.943918427,0.943918427,3.56991125,2.961737095,2.457539916,2.457539916,1.799405163,1.379734828,0.565501759,0.399277246,1.834149688,1.397734513,1.058262671,1.058262671,0.713180716,0.253876674,0.399277246,0.399277246,3.731009584,3.232715238,2.838982085,2.838982085,2.403580713,1.961401645,1.207644823,1.207644823,1.638513392,1.081413891,0.631337262,0.631337262,0.063533192,0.343780824,1.150937835,1.207644823,4.159404584,3.30945133,2.928209509,2.605486906,2.605486906,1.544146221,0.606775591,0.566929134,1.794276964,1.267102037,0.904699505,0.904699505,0.257605729,0.172572297,0.566929134,0.566929134,0,0,0,0,0,4,0,2,0,0,0,0,0,0,0,0,0,0,0,1.654700538,0.288675135,0.866025404,0.288675135,1.059155957,0.129099445,0.546874024,0.129099445,2.598076211,0.577350269,0,1.800197763,0.25819889,0,6.077350269,2.943375673,3.520725942,1.732050808,0,0,0,0,0.868192896,0.490562612,0.391191771,0.288675135,0,0,0,0,5.524563865,2.666982471,2.808363848,1.412899428,0,0,0,0,0.789223409,0.444497078,0.312040428,0.235483238,0,0,0,0,10.50759373,20.54552076,19.42745098,19.72,12.07012096,162.609612,0.500361606,0.978358131,0.925116713,0.939047619,0.574767665,7.743314856,1.4133,31.1358,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,29,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.491666667,0,9.094907407,0,0,0,0,0,0,0,0,0,0,0.491666667,0,0,0,0,0,0,0,0,0,0,0,0,0,1.458333333,0,0,0,0,0,0,0,0,0,0,0,7.634259259,0,0,0,0,0,0.354166667,0,0,0,0,0,-0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.094907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.491666667,0,9.094907407,0,0,0,0,0,0,0,0,0,0,0.491666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.81712963,0,0,0,0,0,0.354166667,0,0,0,0,0,-0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.094907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.491666667,0,9.094907407,0,0,0,0,0,0,0,0,0,0,0.491666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0.354166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.094907407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.58333333,2.369047619,0.491666667,9.094907407,0.25,-0.5,3.326020833,1.75,3.094907407,6.189814815,1.75,3.094907407,6.189814815,3.33333,0.47619,0,0.02381,0.46984,0.80952,0.42174,0.46984,0.74583,0.0481,0,-0.0481,0.06369,0.58823,0.12606,0,0.7,0.15,0.15,3.25,0.46429,3.25,0.46429,0,0,-3.25,-0.46429,0,0,7.36957,1.0528,8.30939,0.93982,0.13426,2.68393,0.38342,2.94337,0.25944,0.03706,0.47063,0.06723,0.47063,0.06723,0,6.01,1,1,1,1,1,1,1,1.115520094,1.720616645,2.153291232,2.724719803,2.306403858,1.241932214,23.42592197,36.13294954,45.21911587,57.21911587,48.43448102,26.08057649,0.253970737,0.391733219,0.49024035,0.620337635,0.52509954,0.282751016,3.276797329,2.671700778,2.239026191,1.667597619,2.085913564,3.150385209,0.258107046,0.398113205,0.498224678,0.630440799,0.533651604,0.287356056,9.935135927,14.47586075,17.00566864,17.58156866,12.56177732,1.251650373,25.72285013,20.89659384,17.89149183,18.55198924,16.04209357,6.40580342,7,1.851851852,2.666666667,7,0,4,2.01,1.0127,2.289428485,0,2.828427125,2.828427125,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0.348,0.454,0.442,0.331,0.169,2.978,9,6,0,0,0,0,0,0,0,28,1.945910149,2.302585093,1.945910149,0,0,0,0,0,0,0,3.36729583,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,6,1,0,2,3,0.5,3.5,1.333333333,0,0,0,0,0,0,0,0,0.583333333,0.148148148,0,0,0,0,0,0,0,0,0.731481481,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,20.23,121.1225932,3.807354922,3.433987204,4.110873864,4.934473933,5.666426688,6.475432717,7.221835825,8.026496939,8.776630098,9.580040124,71.22619739,2.564949357,0,3.891820298,0,5.379897354,0,6.91671502,0,8.466531277,8.706821323,102.1044651,4.862117384,12.29305504,1.75615072,2.311004234,2.311004234,0,42,6,1.456,30,1.2214,2.115526778,2.924423312,3.446392951,3.923004571,0,0,0,0,0,77.91771384,107.2154729,91.99887446,24.84743783,3.986023716,0,0,0,0,0,269.3444456,354.0621877,402.7324898,248.9786769,121.9416715,0,0,0,0,0,9.169769619,15.55628093,22.15469521,24.59351843,26.35656498,0,0,0,0,0,1.986542612,2.678385295,3.282852306,2.570328166,1.744218458,0,0,0,0,0,178.525005,332.218245,464.7824461,589.3430468,725.4327941,0,0,0,0,0,3.13195,5.16541703,8.424325101,6.475685541,3.923004571,0,0,0,0,0,0.431093955,0.602670384,0.75998675,0.591898299,0.401715668,0,0,0,0,0,335.7526425,201.5686966,13.27781472,117.0495491,-70.27055654,-13.09924887,218.7030934,271.8392531,26.37706359,0.741499597,0.445158394,0.029323654,0.258500403,-0.155190407,-0.028929297,152.0295323,91.27074758,6.012223603,53.00029235,-31.818662,-5.931368596,0.350631706,0.648868834,9.230462904,14.69084292,403.8362567,48.96593484,0.891860208,0.108139792,408.0877446,20.20118176,7.417391191,552.0501458,23.4957474,8.203380253,749.2497821,27.37242741,9.082572539,1.095700112,1.095700112,260.1824615,210.0102227,159.4613894,1.238903793,1.631632976,1.316997321,3.558714906,3.220218461,5.261260744,0.633821061,4.340044604,5.125375519,2.775305352,24.01160213,7.888875041,5.377367265,6.557086797,13.31635606,3.754449779,0.01337715,7.94E-24,9.09E-67,2.01E-131,8.55E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.38413492,5.252196881,0.167478016,8.123898361,1.62423721,0.052413219,0.521633504,0.642336396,0.026442897,9.42E-05,5.59E-26,6.40E-69,1.41E-133,6.03E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.120585269,5.015976313,0.583752842,9.885706092,2.1854786,0.41708443,1.475915938,2.386671638,0.275555372,9.82E-04,5.83E-25,6.67E-68,1.47E-132,6.28E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.319606141,5.251905023,2.574607879,23.64861951,7.69114892,4.830432476,6.155448421,12.24234147,3.34514716,0.0119188,7.08E-24,8.10E-67,1.79E-131,7.62E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.584635688,4.926223702,0.903966164,11.38305862,2.709942409,0.873110773,2.196695898,3.834318875,0.59854309,0.002132616,1.27E-24,1.45E-67,3.20E-132,1.36E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.421862594,5.205634735,3.565016288,29.7481166,10.45816156,7.82943011,8.417400062,17.63144173,5.475512154,0.019509317,1.16E-23,1.33E-66,2.93E-131,1.25E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.648471909,4.580880477,1.094078473,20.1429642,6.496306716,1.905240971,3.929531686,6.573282275,1.206712608,0.004299532,2.55E-24,2.92E-67,6.45E-132,2.75E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.249767987,1.739964991,0.72660284,0.477016072,0.368923049,0.567050323,0.615502225,0.389440911,4.716335818,6.813468849,14.37410423,0.268908682,1.571993459,1.533649866,1.02655358,0.560564537,0.491433479,0.328942615,0.28561228,0.21424557,0.237445406,3.120767982,3.009533018,7.012839097,0.237150218,0.737303256,1.881345788,1.371267872,0.529192092,0.497472877,0.362596062,0.402457192,0.382290239,0.210796986,3.781805752,4.301086462,9.448117338,0.290103408,0.995544416,2.20025033,1.695599539,0.753014565,0.473287695,0.364734133,0.543929791,0.584514362,0.420523304,4.648864434,6.66437514,14.12254373,0.257032741,1.548967457,2.032171891,1.516558284,0.539503569,0.497078205,0.370956843,0.465015219,0.467591727,0.216613071,4.088233743,4.996459709,10.74739334,0.302052572,1.149220016,2.284984217,1.776469608,0.761338087,0.473788681,0.368348799,0.584581721,0.641599728,0.427015382,4.822791913,7.151344504,15.0645638,0.263206219,1.653196831,2.209293165,1.703779714,0.749866543,0.473798384,0.365387486,0.548176386,0.590167776,0.416708531,4.662939422,6.69843131,14.18398004,0.258778806,1.555052693 +UMLYSI0251,L,tert-butyl propionate,CCC(=O)OC(C)(C)C,saturated esters,C7H14O2,20487-40-5,88561,PubChem,,40.5,0,1.0286,1.05801796,36.2401,23.259102,0,0,23,9,14,0,7,0,2,0,0,0,0,0,0,0,1536.009745,1467.311804,2145.030791,1623.544579,1410.922099,795.862875,236.216736,27.433728,0,3832.572288,4632.085644,6087.497336,6264.404722,5195.701777,4073.932476,2624.766494,839.2610996,0,173.54554,167.45108,302.44586,373.169956,376.783204,235.979436,249.049728,181.398528,0,27.03328867,33.55214034,44.88108072,48.17771176,42.63576376,33.22340945,28.04682987,12.00454843,0,3847.310193,3237.717434,6440.029948,7699.682421,8755.437699,4803.247417,6084.723595,4992.776605,0,97.84027778,61.875,114.75,141.125,129.5,104.25,54,27,0,66.78303239,66.69599109,53.62576977,34.54350168,27.6651392,26.5287625,6.561576,1.016064,0,166.6335777,210.5493475,152.1874334,133.2852068,101.8765054,135.7977492,72.9101804,31.08374443,0,7.545458261,7.611412727,7.5611465,7.939786298,7.387905961,7.8659812,6.918048,6.718464,0,1.175360377,1.525097288,1.122027018,1.025057697,0.835995368,1.107446982,0.779078607,0.444612905,0,167.2743562,147.1689743,161.0007487,163.8230302,171.675249,160.1082472,169.0200999,184.917652,0,4.253925121,2.8125,2.86875,3.002659574,2.539215686,3.475,1.5,1,0,0.25829358,-0.183541486,0.147928551,-0.119519105,0.064748868,-0.051626668,-0.003548722,0.016411772,0,799.1117029,-15.00476101,445.4801125,-757.5739283,329.0937234,-843.7114647,-142.2257985,584.3862651,0,1081.795272,-149.5950004,207.6489949,-695.0560058,567.0523473,-833.648838,-413.245258,775.9461242,0,1.975925913,0.013204083,1.139857369,-1.555207561,-0.228344764,-1.192594843,0.311822745,0.523300015,0,4.769103567,-1.066326256,-0.410915413,-1.707061341,2.176179885,-1.984709556,-2.106308838,2.714589735,0,26.67799994,-6.490143964,-4.093856525,-7.476306853,11.04067868,-8.191646206,-11.73473638,13.60701128,0,38.58635266,-3.43283974,18.50380697,-20.28364577,2.873739761,-29.12803245,2.288752363,9.885042533,0,0.011230156,-0.008342795,0.003698214,-0.00254296,0.001269586,-0.001720889,-9.86E-05,6.08E-04,0,34.74398708,-0.682034591,11.13700281,-16.11859422,6.452818106,-28.12371549,-3.950716625,21.64393574,0,47.03457702,-6.799772747,5.191224872,-14.78842565,11.11867348,-27.7882946,-11.47903494,28.73874534,0,0.085909822,6.00E-04,0.028496434,-0.033089523,-0.004477348,-0.039753161,0.008661743,0.019381482,0,0.207352329,-0.048469375,-0.010272885,-0.036320454,0.042670194,-0.066156985,-0.058508579,0.100540361,0,1.159913041,-0.295006544,-0.102346413,-0.159070359,0.216483896,-0.273054874,-0.325964899,0.503963381,0,1.677667507,-0.15603817,0.462595174,-0.431566931,0.056347838,-0.970934415,0.063576455,0.366112686,0,-0.74289218,0.329310998,-0.226440288,0.113051474,-0.153238207,-0.00877776,0.054125999,0,-0.019630291,0.320544755,-0.463924713,0.185724744,-0.809455617,-0.113709363,0.622954864,0,-0.144569659,0.110370396,-0.314416044,0.23639361,-0.590805666,-0.244055239,0.611013156,0,0.006986228,0.331701701,-0.385165767,-0.052116838,-0.462731273,0.100823662,0.225602632,0,-0.233753706,-0.049543139,-0.175162991,0.205785939,-0.319055906,-0.282169866,0.484876929,0,-0.254335052,-0.088236281,-0.1371399,0.186638039,-0.23540978,-0.281025291,0.434483761,0,-0.093008996,0.275737101,-0.25724223,0.033587012,-0.578740669,0.037895742,0.218227202,0,1.735942558,0.750600714,1.961373714,1.064758813,1.142737387,0.111375941,2.34E-04,0,1.090358552,0.69396886,1.614225539,0.736258923,1.927946895,0.833254033,0,0,1.504503624,0.959449143,1.279870063,0.614170474,1.628050088,1.144579577,0,0,0.709899086,0.626535839,2.088623835,1.03713752,1.962832095,0.066013609,0,0,1.714180848,1.145755125,1.159775366,0.607862303,1.405448061,1.160665414,0,0,1.747015013,1.188170791,1.153519049,0.621036293,1.352533641,1.127071739,0,0,0.665174729,0.411477879,1.339194866,1.158116715,3.158986056,0.142537442,0,0,36.28688151,18.39344076,27.06555915,36.6757704,4.0750856,18.39344079,0.5,0.07705581,0.008561757,-2.306902785,38.69286351,4.299207057,3.29008966,36.30194756,18.40023936,27.07771569,36.68969402,4.076632668,18.4002394,0.498531158,0.076938286,0.008548698,-2.308276492,38.68940762,4.298823069,3.290009272,49.72085102,24.46143103,38.15357939,49.10019295,5.455576994,24.46143103,-0.797988956,0.034530735,0.003836748,-3.029314921,39.61249451,4.401388279,3.311230128,36.31775989,18.40737475,27.0904756,36.70430736,4.078256374,18.40737479,0.4969896,0.07681526,0.008535029,-2.309716763,38.68581534,4.298423926,3.289925704,64.02486194,30.93013671,50.15301192,62.34129309,6.926810343,30.93013671,-2.164588529,0.030583295,0.003398144,-3.13857119,40.70524018,4.522804464,3.335721152,37.86583117,19.10604977,28.34518019,38.13515101,4.237239001,19.10604979,0.346268372,0.066215941,0.007357327,-2.443350644,38.47678844,4.275198715,3.285049646,38.57983616,19.54591179,28.05381462,39.15000497,4.350000552,19.54591181,1.026303855,0.074789582,0.008309954,-2.333769018,47.82772784,5.314191983,3.480844997,0,11.89,15.99591816,-0.309852344,0.261712144,4.193308204,8.041609002,8,22,21,21,7,1,1,0,0,1,18.178898,3.595744337,3.273416346,2.639408988,2.333552793,2.333552793,1.625071748,1.537563292,0.259566885,1.828182594,1.690761692,1.249629723,1.249629723,1.023714032,0.472286119,0.083923071,0.083923071,3.504810049,3.259290009,2.536858446,2.405454588,2.405454588,1.615380482,1.228311346,0.270913902,1.816494368,1.63739985,1.134540686,1.134540686,1.0576352,0.50486451,0.11408351,0.270913902,3.677776833,3.4208308,2.835906637,2.704236987,2.704236987,2.039209201,1.715458329,0.943918427,1.612608653,1.414656697,0.76031856,0.76031856,0.71267263,0.020273831,0.564110856,0.943918427,3.494341745,3.26886265,2.513031551,2.457539916,2.457539916,1.649913724,1.161642023,0.399277246,1.816994657,1.604784526,1.074105009,1.058262671,1.058262671,0.459555918,0.025959195,0.399277246,3.698358765,3.476853238,2.877667539,2.838982085,2.838982085,2.179697556,1.709553358,1.207644823,1.580259833,1.359016985,0.669883561,0.631337262,0.631337262,0.108303012,0.600433527,1.207644823,4.705961005,3.539575839,3.108092087,2.600475434,2.600475434,2.42728986,1.893872651,0.563758389,1.683661037,1.503903669,0.909200266,0.909200266,0.664930508,0.006015705,0.539424176,0.563758389,0,0,1,0,0,4,1,1,0,0,0,0,0,0,0,0,0,0,0,1.849335306,0.353553391,0,0,1.171298001,0.204124145,0,0,1.045385138,1.826859552,1.647499818,0.394574565,0.561419554,0.507118497,7.491563832,3.954507022,4.278204323,1.657757573,1.189722705,0.433012702,0,0,0.832395981,0.494313378,0.388927666,0.23682251,0.169960386,0.144337567,0,0,6.523603362,3.173032607,2.939996367,0.708696803,0.413675135,0.216506351,0,0,0.724844818,0.396629076,0.267272397,0.1012424,0.059096448,0.072168784,0,0,12.22239284,22.87618354,21.77647059,22.12,13.55036048,177.5068275,0.531408384,0.994616676,0.946803069,0.96173913,0.589146108,7.717688154,1.7381,36.136,21.60628242,32.24456881,43.21256483,4.801396093,21.60628242,0.078829326,0.008758814,-2.286423176,37.00061021,4.111178912,3.249840964,63,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,1,0,0,0,0,0,0,0,0,0,0,4,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.553125,-0.136574074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.011111111,0.5125,0,0,0,0,0,0,0,0,0,0,7.370787037,0,0.455625,0,0,0,0,0,0,-0.136574074,0,0,-0.326296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.60520833,4.947916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.947916667,-0.136574074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368402778,0.5125,0,0,0,0,0,0,0,0,0,0,1.785787037,0,0.455625,0,0,0,0,0,0,-0.136574074,0,0,-0.326296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.60520833,4.947916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.60520833,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,1.861666667,0,0.455625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.60520833,4.947916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.91666667,2.546296296,0.527083333,10.60520833,0.083333333,-0.326296296,3.343105602,1.803240741,3.605208333,10.10625,1.803240741,3.605208333,10.10625,4.16666,0.46296,0,0.03704,0.52319,0.87037,0.42414,0.52319,0.87037,0.09905,0,-0.09905,0,0.53191,0.18238,0,0.56,0.12,0.12,6.25,0.69444,4.75,0.52778,1.5,0.16667,-3.25,-0.36111,0,0,8.18495,0.90944,11.34151,3.15656,0.35073,2.93445,0.32605,3.9545,1.02005,0.11334,0.4595,0.05106,0.4595,0.05106,0,8.02,2,2,2,2,0,0,0.857142857,1.264672679,1.858215482,2.359455977,2.782731521,2.782731521,2.389378307,29.08747163,42.73895608,54.26748748,64.00282497,64.00282497,54.95570106,0.279574524,0.410785903,0.521592497,0.615163791,0.615163791,0.528207269,3.258889277,2.665346474,2.164105979,1.740830436,1.740830436,2.134183649,0.279574524,0.410785903,0.521592497,0.615163791,0.615163791,0.528207269,11.60803893,19.07793644,21.13400544,21.56059312,21.56059312,16.05464831,32.94327953,23.3234623,21.25562688,21.29622109,21.29622109,18.5427486,9,3.239669421,5.87755102,9,3,3,2.01,1.1693,1.897366596,1.414213562,1.475575893,2.828427125,0,1,0.333333333,0,0.5,0,0,0.5,0,0,0,0,0,0,0,0.003,0.475,0.453,0.479,0.059,3.445,11,7,7,3,0,0,0,0,0,45,2.302585093,2.63905733,2.302585093,2.397895273,1.386294361,0,0,0,0,0,3.988984047,1.177777778,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.375,7,0.875,0,3,5,0.666666667,4,0.888888889,0.75,0.24,0,0,0,0,0,0,0.5,0.080808081,0.107142857,0.034285714,0,0,0,0,0,0,0.722236652,21.60628242,32.24456881,43.21256483,4.801396093,21.60628242,0.078829326,0.008758814,-2.286423176,37.00061021,4.111178912,3.249840964,26.3,144.5723458,4.169925001,3.663561646,4.317488114,5.176149733,5.84932478,6.712956201,7.392031568,8.256088134,8.937612591,9.801399454,77.10661222,2.833213344,0,4.110873864,0,5.525452939,0,6.996681488,0,8.498418036,8.753687227,130.0993797,5.656494769,16.26675906,1.807417673,5.236106614,5.236106614,0,94,7,1.794,38,1.233227273,2.113908819,2.907862952,3.46997299,4.378555891,5.234180365,5.877726294,0,0,0,92.90307534,126.5551367,104.0704085,102.9386948,127.1635759,36.33041855,5.972146089,0,0,0,281.9160909,348.2908717,397.4664055,377.2114967,631.446095,396.6038239,182.701742,0,0,0,9.447098999,16.15997665,23.08184233,25.65030738,33.8581015,36.28178558,39.48929251,0,0,0,1.992608666,2.506099423,3.043815591,3.054824069,5.155010631,4.197616055,2.613312961,0,0,0,179.7781318,336.4952071,474.4321289,592.0358225,690.1631408,878.9884924,1086.895346,0,0,0,3.538503788,6.501446543,8.742938692,8.611574558,13.99256977,8.030329424,5.877726294,0,0,0,0.450467386,0.604513742,0.754793609,0.729447934,1.18458003,0.92073018,0.601879172,0,0,0,436.8106423,322.762663,15.04465841,133.3034459,-98.49891696,-15.07734162,303.5071964,421.26158,30.12200003,0.766181105,0.566136971,0.026388856,0.233818895,-0.172770537,-0.026446183,249.031901,184.0115413,8.577171711,75.9981725,-56.15562023,-8.595804872,0.354141302,0.419281498,4.777887274,3.725486245,519.4576983,50.65638985,0.911146925,0.088853075,648.0661598,25.45714359,8.653791915,783.6846649,27.99436845,9.219636166,1231.622156,35.09447473,10.71912078,1.703793089,1.703793089,538.5095613,502.9239643,149.6741641,1.07075741,3.597879196,3.360125424,4.073390541,4.210482197,7.33198478,0.741364631,3.917833806,5.241595155,3.7137337,12.00001272,4.878859085,6.389925172,4.787813129,7.387379505,6.460919012,3.963814787,5.520579023,5.011792411,1.064780022,0.118865545,8.33E-20,1.13E-59,2.94E-121,1.48E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0.345304163,5.392469063,0.231063973,6.328098721,0.325851537,1.93598666,1.11981368,0.584270017,1.725528603,0.165031713,1.041671878,0.179526464,0.007499347,8.37E-04,5.87E-22,7.94E-62,2.07E-123,1.04E-206,1.0109397025365E-311,0,0,0,0,0,0,0,0,0,0,0,1.067266495,5.111392731,0.66786677,6.362406845,0.746213312,2.307756383,1.327501605,1.497460693,2.278237966,0.643194582,1.617408086,0.738386833,0.078148866,0.008724058,6.12E-21,8.27E-61,2.16E-122,1.09E-205,1.05347711390414E-310,0,0,0,0,0,0,0,0,0,0,0,3.703230625,5.392148947,3.69629423,12.98554158,5.242757184,6.410935895,4.47658871,7.193266847,6.024611318,3.626098896,5.126631955,4.564726337,0.948699839,0.10590706,7.43E-20,1.00E-59,2.62E-121,1.32E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,1.565372702,5.004598928,0.974943571,6.525897633,0.97739424,2.642699805,1.630162395,2.166487798,2.780544486,1.059698003,2.113141856,1.24896297,0.169749745,0.018949821,1.33E-20,1.80E-60,4.69E-122,2.36E-205,2.2882930639938E-310,0,0,0,0,0,0,0,0,0,0,0,4.731374743,5.337109614,5.047365844,14.43894619,6.993520464,8.225183512,6.439500055,9.84375996,8.242650099,5.333622725,7.115156627,6.83879649,1.552881545,0.173354226,1.22E-19,1.64E-59,4.29E-121,2.16E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,2.442332177,4.620766562,2.984167474,15.67697862,4.362928497,5.376398949,2.894906149,5.269700818,3.835098435,1.72191569,3.253776136,2.189107156,0.338412196,0.037778266,2.65E-20,3.58E-60,9.34E-122,4.70E-205,4.5619293791344E-310,0,0,0,0,0,0,0,0,0,0,0,5.121019347,1.104157499,1.005942319,0.708191807,0.152695243,0.552844852,0.450094288,0.422257806,7.231119165,11.91658075,24.83571214,0.56228771,1.425196947,3.438999988,0.712059359,0.43845913,0.749316079,0.155149034,0.247819208,0.185633118,0.079977462,4.589518476,4.268841994,9.932046965,0.623974118,0.513429788,4.34951503,0.830480695,0.695864417,0.740234608,0.141337723,0.398325944,0.254543917,0.201692471,5.875860141,7.216762967,15.60621639,0.610351912,0.854562332,4.945854491,1.092702105,0.962287898,0.706465412,0.156081471,0.515129023,0.440729459,0.385935152,7.000844494,11.21517555,23.41655642,0.559698118,1.341793634,4.743310564,0.900959715,0.81766369,0.734038848,0.139425707,0.474568396,0.299609412,0.279031889,6.461933969,8.888646596,18.84489229,0.601058272,1.053209697,5.177710548,1.140292198,1.037177768,0.703954245,0.155032524,0.565059167,0.480039555,0.448827502,7.355180515,12.45699493,25.93577976,0.555931368,1.493926223,4.9936286,1.098640735,0.972133044,0.706872051,0.155517859,0.525045268,0.445566124,0.39392146,7.064402379,11.40870013,23.80642251,0.560308077,1.364532851 +UMLYSI0252,L,3-ethyl-3-pentanol,CCC(CC)(CC)O,saturated alcohols,C7H16O,597-49-9,11702,PubChem,,40.5,0,-1.4553,2.11789809,31.2985,23.790688,0,0,24,8,16,0,7,0,1,0,0,0,0,0,0,0,1282.073872,1255.482027,1720.625397,1847.697909,995.758347,263.650464,27.433728,0,0,3678.349,4646.893789,6346.50041,7254.557893,6354.489121,3464.027594,839.2610996,0,0,173.630752,171.512628,312.55422,423.927276,463.676268,430.448256,181.398528,0,0,27.27931048,35.31067264,50.58474968,58.68812364,57.92960639,40.0513783,12.00454843,0,0,4031.694211,3396.131957,6808.503996,9335.360664,10428.60337,11077.5002,4992.776605,0,0,72.3125,55.125,87.5,141.75,141,81,27,0,0,53.41974467,54.58617509,40.01454412,32.41575279,15.80568805,4.184928,1.016064,0,0,153.2645417,202.0388604,147.5930328,127.2729455,100.8649067,54.98456499,31.08374443,0,0,7.234614667,7.457070783,7.268702791,7.437320632,7.359940762,6.832512,6.718464,0,0,1.136637937,1.535246636,1.176389527,1.029616204,0.919517562,0.635736163,0.444612905,0,0,167.9872588,147.6579112,158.3373022,163.7782573,165.5333868,175.8333365,184.917652,0,0,3.013020833,2.39673913,2.034883721,2.486842105,2.238095238,1.285714286,1,0,0,0.223898388,-0.125022404,0.037205945,0.014309855,-0.094827957,0.041973091,0.014412276,0,0,719.4334713,-66.68627803,120.0452195,-103.3841974,-873.2304753,166.6854887,396.8535067,0,0,1116.273633,-77.08945916,-36.22062149,-122.900706,-1073.705565,140.8308233,610.9487115,0,0,1.103039333,-0.085166694,0.182663194,-0.301660417,-0.81574825,0.25372375,0.21466875,0,0,4.928582618,-0.238116022,-0.920997073,-0.516099408,-3.408627012,0.218046359,2.401501848,0,0,27.13388615,-1.139693072,-6.2724076,-2.88213802,-16.3616224,0.562170021,12.526748,0,0,24.8515625,-4.860351563,1.674804688,0.290039063,-17.07128906,3.084960938,4.456054688,0,0,0.0093291,-0.005435757,8.65E-04,2.51E-04,-0.001505206,6.66E-04,5.34E-04,0,0,29.97639464,-2.899403393,2.791749291,-1.813757849,-13.86080119,2.645801409,14.69827803,0,0,46.51140137,-3.351715616,-0.842340035,-2.156152737,-17.04294547,2.235409894,22.62773006,0,0,0.045959972,-0.0037029,0.004247981,-0.005292288,-0.012948385,0.004027361,0.007950694,0,0,0.205357609,-0.010352871,-0.021418537,-0.009054376,-0.054105191,0.003461053,0.088944513,0,0,1.130578589,-0.049551873,-0.145869944,-0.050563825,-0.259708292,0.008923334,0.463953629,0,0,1.035481771,-0.211319633,0.038948946,0.005088405,-0.270972842,0.048967634,0.165039063,0,0,-0.582666814,0.092747916,0.026910432,-0.161345226,0.071415203,0.057217527,0,0,-0.096722886,0.09313159,-0.060506204,-0.462390536,0.088262829,0.490328414,0,0,-0.072062237,-0.018110399,-0.04635751,-0.366425112,0.048061547,0.486498566,0,0,-0.080567929,0.092427847,-0.115149939,-0.281731783,0.087627579,0.172991716,0,0,-0.050413864,-0.104298724,-0.044090772,-0.263468156,0.016853787,0.433120123,0,0,-0.043828773,-0.129022383,-0.044723848,-0.229712728,0.007892714,0.410368314,0,0,-0.204078564,0.037614323,0.004914046,-0.261687699,0.047289711,0.159383842,0,0,1.518303864,0.650329549,1.443022113,1.710452697,0.366731114,0,0,0,1.429336028,1.007847065,1.206341188,1.526865291,0.552918833,0,0,0,1.565389987,1.21137496,1.085716097,1.337679706,0.662655049,0,0,0,1.046221984,0.726199746,1.794258677,1.809316475,0.070644806,0,0,0,1.609800468,1.324115163,1.085781061,1.236164964,0.670948,0,0,0,1.613537024,1.34982156,1.099602201,1.213695381,0.662002966,0,0,0,1.187048098,0.765416755,1.654626979,1.795901259,0.13221359,0,0,0,32.31541719,16.2827086,21.51877657,32.50291719,4.062864649,16.28270885,0.25,1.05E-16,1.31E-17,-29.43614363,4000009.181,500001.1476,12.16144577,32.31837381,16.2838197,21.51988767,32.505323,4.063165375,16.28381995,0.249265579,1.80E-16,2.25E-17,-29.00311149,4000009.651,500001.2064,12.16144587,35.04718476,17.32409514,22.56016312,34.7479389,4.343492363,17.32409522,-0.398994478,6.25E-17,7.81E-18,-29.84973177,4000170.606,500021.3257,12.16147806,32.32147718,16.28498599,21.52105397,32.50784828,4.063481035,16.28498625,0.2484948,2.11E-17,2.64E-18,-30.71763768,4000009.169,500001.1462,12.16144577,38.1209255,18.51931562,23.83841637,37.3092048,4.6636506,18.51931564,-1.082294264,0.172201009,0.021525126,-1.407274261,55.083332,6.8854165,3.207077733,32.62672582,16.39993,21.63599798,32.75657646,4.094572057,16.39993023,0.173134186,2.69E-16,3.36E-17,-28.68235198,4000027.25,500003.4063,12.16144939,39.48565714,19.99401905,27.02774733,39.86244286,4.982805357,19.99401905,0.502380952,2.57E-17,3.22E-18,-30.55848537,4000014.004,500001.7505,12.16144674,0,11.89,15.99491639,-0.389295909,0.067485933,5.52478773,8.741253321,7,23,23,23,7,0,0,0,0,0,17.491312,3.588858527,2.902564078,2.902564078,2.38258627,1.747013406,1.598026915,1.598026915,0.372418167,1.904326814,1.563026335,1.563026335,1.06328201,0.769718516,0.769718516,0.539469361,0.083923071,3.576602672,2.950308951,2.950308951,2.318059835,1.695309721,1.695309721,1.584768145,0.486328493,1.868672896,1.473453684,1.473453684,1.001512658,0.630337185,0.630337185,0.568032782,0.270913902,3.703414479,3.155598408,3.155598408,2.652553992,2.126157203,2.090117344,2.090117344,0.959970778,1.694740813,1.195492746,1.195492746,0.614165224,0.162386152,0.162386152,0.029227649,0.943918427,3.584419695,2.985267979,2.985267979,2.337628883,1.765276817,1.765276817,1.552467712,0.572420624,1.847175342,1.415133181,1.415133181,0.971409627,0.550280687,0.536857124,0.536857124,0.399277246,3.745029127,3.252217518,3.252217518,2.739512376,2.26277616,2.26277616,2.230471015,1.207644823,1.652929957,1.104407163,1.104407163,0.513422511,0.004703131,0.004703131,0.135377721,1.148282771,4.282204087,3.319442656,3.099910229,3.099910229,2.251637468,1.868901007,1.868901007,0.639840563,1.798593641,1.289949325,1.289949325,0.708468306,0.402266165,0.402266165,0.205426534,0.595744681,0,0,0,0,0,3,3,1,0,0,0,0,0,0,0,0,0,0,0,0.926776695,0.176776695,0,0,0.512186892,0.079056942,0,0,2.030330086,1.810660172,0,1.201150479,1.102911107,0,6.621320344,3.681980515,2.871320344,2.560660172,0.75,0,0,0,0.827665043,0.525997216,0.319035594,0.284517797,0.25,0,0,0,6.068533939,3.405587313,2.285001821,1.974341649,0.75,0,0,0,0.758566742,0.486512473,0.253889091,0.219371294,0.25,0,0,0,12.04942153,23.43335761,22.15294118,22.48,13.86867545,185.6378671,0.502059231,0.9763899,0.923039216,0.936666667,0.577861477,7.734911128,1.9475,35.8228,16.6704935,21.90656147,33.34098699,4.167623374,16.67049366,1.53E-16,1.91E-17,-29.13467747,4000334.536,500041.817,12.16151084,41,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.429166667,0,9.4375,0,0,0,0,0,0,0,0,0,0,0.429166667,0,0,0,0,0,0,0,0,0,0,0,0,0,1.720833333,0,0,0,0,0,0,0,0,0,0,0,6.0625,0,2.625,0,0,0,0,0,0,0,0,0,-0.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.4375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.429166667,0,9.4375,0,0,0,0,0,0,0,0,0,0,0.429166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,2.020833333,0,0.875,0,0,0,0,0,0,0,0,0,-0.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.4375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.429166667,0,9.4375,0,0,0,0,0,0,0,0,0,0,0.429166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,2.020833333,0,0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.4375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.75,2.21875,0.429166667,9.4375,0.25,-0.375,3.792375,1.625,3.4375,7,1.625,3.4375,7,3.83333,0.47917,0,0.02083,0.46528,0.79583,0.42308,0.46528,0.74074,0.0422,0,-0.0422,0.05509,0.60209,0.1122,0,0.47826,0,0.13043,3.75,0.46875,3.75,0.46875,0,0,-3.75,-0.46875,0,0,8.43067,1.05383,9.40685,0.97619,0.12202,3.43558,0.42945,3.68198,0.2464,0.0308,0.23202,0.029,0.23202,0.029,0,7.01,1,1,1,1,1,1,1,1.099483982,1.746915253,2.353759375,2.353759375,2.162719271,1.596679166,26.38761556,41.92596608,56.490225,56.490225,51.90526249,38.32029999,0.239802175,0.381009714,0.513365022,0.513365022,0.471698355,0.348242579,3.485478519,2.838047247,2.231203126,2.231203126,2.42224323,2.988283334,0.243057129,0.386181348,0.520333179,0.520333179,0.47810095,0.352969448,9.670323248,14.96779755,15.57939025,15.57939025,13.286909,5.731238845,29.54361368,22.72252567,24.14135312,24.14135312,22.9951125,14.71679166,8,3.111111111,2.222222222,8,0,5,2.12,1.1536,0.75,4.326748711,0,1.5,1.5,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.436,0.422,0.37,0.184,3.705,9,9,3,0,0,0,0,0,0,36,2.079441542,2.302585093,2.302585093,1.386294361,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,2,4,1,3,1.333333333,0.375,0,0,0,0,0,0,0,0.428571429,0.148148148,0.041666667,0,0,0,0,0,0,0,0.618386243,16.6704935,21.90656147,33.34098699,4.167623374,16.67049366,1.53E-16,1.91E-17,-29.13467747,4000334.536,500041.817,12.16151084,20.23,138.4185778,4,3.496507561,4.234106505,5.030437921,5.789960171,6.591673732,7.35436233,8.157370441,8.920656297,9.723942139,74.2990171,2.708050201,0,3.931825633,0,5.416100402,0,6.965080346,0,8.528133131,8.765458532,116.1201151,4.83833813,14.43014069,1.803767586,2.405330086,2.405330086,0,64,9,1.875,32,1.225086957,2.12261363,2.889110481,3.506755143,4.005839377,4.579342432,0,0,0,0,78.47908308,95.92345408,101.2695736,58.79787137,17.60288768,4.652904989,0,0,0,0,273.3612548,339.4060472,386.9167208,365.3838577,226.5854303,142.3431098,0,0,0,0,9.161889003,15.53744574,21.56421576,25.82244123,27.40013196,30.76614727,0,0,0,0,2.019873764,2.641781849,3.084452892,3.304061049,2.597243665,2.036034741,0,0,0,0,178.4547259,332.1224935,470.1060195,577.7727075,701.9556568,846.8012503,0,0,0,0,2.977907609,4.5473462,7.388354189,7.90033326,5.225988075,4.579342432,0,0,0,0,0.435339417,0.591231526,0.715582481,0.755176462,0.578090413,0.468924665,0,0,0,0,359.792993,236.7780718,15.40495895,141.4610166,-93.09482785,-13.77706265,218.3319764,329.8728996,29.1820216,0.717785765,0.472371427,0.030732839,0.282214235,-0.185723857,-0.027485192,180.3476804,118.6859579,7.721797444,70.9079018,-46.66415574,-6.905807893,0.319884034,0.591522126,10.95440659,12.28064547,446.2479866,55.00602305,0.890263176,0.109736824,470.1693138,21.68338797,7.77591361,633.5057871,25.16954086,8.588490946,895.4980082,29.92487274,9.638768316,1.609580039,1.20582466,382.9070182,323.6145929,171.5773539,1.183219257,2.231687396,1.886114837,3.871949947,3.220194404,6.42424645,0.994987148,4.897845865,6.432979136,4.099014259,23.2133165,11.91494904,10.32823036,10.22265942,13.08437123,4.273392534,5.62089371,0.856845983,1.126710554,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.430947303,6.203203313,0.279161318,8.908872691,1.642667193,2.373580715,0.684071315,0.595339441,1.017820998,0.076758213,0.006035905,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.271701354,5.990814849,0.943889824,10.32292148,2.484734599,2.780340003,1.952814999,2.19520989,1.332517181,0.508038198,0.062890392,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.846125022,6.520358657,3.824488252,23.01114666,11.21438602,10.21853533,9.766172492,12.11693412,3.95032861,5.03370871,0.76343508,1.003878819,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.807353002,5.931958573,1.434346499,11.57044451,3.378574056,3.349612795,2.932010418,3.541648182,1.652419609,1.012060537,0.136603707,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,6.095488437,6.677857949,5.161648534,28.65171842,16.2948007,13.74078454,13.64024511,17.5743985,5.610073204,8.076307644,1.249625854,1.643201452,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,4.193757503,6.069487718,2.197448103,20.01259582,7.581872925,10.2023985,6.935671549,6.76171511,2.786265171,2.166513164,0.304109618,0.399882786,2.85E-15,3.91E-51,1.04E-108,5.30E-188,5.23E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.316602802,1.461194237,0.795973776,0.595037527,0.262155421,0.510916015,0.478732943,0.467800119,5.573770815,8.649202051,18.0804217,0.392556291,1.457449076,2.305941379,1.016406763,0.492812228,0.604415321,0.266412592,0.248120982,0.233174839,0.159911953,3.81516037,3.981068203,8.951269265,0.406622981,0.641207774,2.812653918,1.172159671,0.572872076,0.617123278,0.257183087,0.366684186,0.30667599,0.242149285,4.557685665,5.579667925,12.02604379,0.425684917,0.915509462,3.249856932,1.446471112,0.801708124,0.591094135,0.263088686,0.491158916,0.467486208,0.472571499,5.498036168,8.465908516,17.73263361,0.386641202,1.431216622,3.020076886,1.260623325,0.614205686,0.616983646,0.257537806,0.422399044,0.357699947,0.277680463,4.894905896,6.436409773,13.66970688,0.425475469,1.057779453,3.364958316,1.496015776,0.82845009,0.591440928,0.262946781,0.526251393,0.5014613,0.506466427,5.689424182,9.061105149,18.92097254,0.387161392,1.53417912,3.265541799,1.449599825,0.801514429,0.59194225,0.262767845,0.49586392,0.469418203,0.472287425,5.516656053,8.512982867,17.82379087,0.387913376,1.437569548 +UMLYSI0253,L,"3,3-dimethyl-2-butanol",CC(C(C)(C)C)O,saturated alcohols,C6H14O,464-07-3,10045,PubChem,,40.4,0,1.0968,1.20297024,30.988,20.697102,0,0,21,7,14,0,6,0,1,0,0,0,0,0,0,0,1135.777623,1087.00373,1604.102905,1485.477642,439.018272,36.578304,0,0,0,3192.664609,3993.903654,5746.145126,6564.896654,4359.857652,1119.0148,0,0,0,152.653308,149.736848,269.708596,357.12768,496.73088,241.864704,0,0,0,23.60118467,30.29468402,44.77426749,54.74152643,45.53724567,16.00606457,0,0,0,3535.064551,2963.092506,5895.281466,7494.925662,12094.02042,6657.035473,0,0,0,69.34027778,51.16666667,79.83333333,131,135,36,0,0,0,54.08464871,54.3501865,43.35413257,30.94745087,6.362583652,1.016064,0,0,0,152.0316481,199.6951827,155.3012196,136.7686803,63.18634279,31.08374443,0,0,0,7.269205143,7.4868424,7.289421514,7.44016,7.198998261,6.718464,0,0,0,1.123865937,1.514734201,1.210115338,1.140448467,0.659960082,0.444612905,0,0,0,168.3364072,148.1546253,159.3319315,156.1442846,175.2756583,184.917652,0,0,0,3.301917989,2.558333333,2.157657658,2.729166667,1.956521739,1,0,0,0,0.223396997,-0.117206843,0.014617284,0.027200362,-0.097301482,0.060992181,0,0,0,638.6281311,-66.44114433,238.6685589,-642.2297929,-385.022551,535.7108638,0,0,0,965.983639,-78.0117429,349.2708508,-1219.353132,-337.5745416,802.676746,0,0,0,1.082321143,-0.089402612,0.071238367,-0.252332898,-0.592638612,0.321975184,0,0,0,4.253148428,-0.249912087,1.261010464,-5.625252521,-0.604439866,3.092019795,0,0,0,23.45618849,-1.219488698,6.328572687,-30.92762618,-1.930704177,16.02115213,0,0,0,24.80026455,-5.931468884,3.450129126,-1.666477702,-15.74948035,7.497165533,0,0,0,0.010637952,-0.005860342,3.95E-04,5.67E-04,-0.001410166,0.001694227,0,0,0,30.41086339,-3.322057216,6.450501593,-13.37978735,-5.580036972,14.88085733,0,0,0,45.9992209,-3.900587145,9.439752723,-25.40319024,-4.89238466,22.29657628,0,0,0,0.051539102,-0.004470131,0.001925361,-0.005256935,-0.008588965,0.008943755,0,0,0,0.202530878,-0.012495604,0.034081364,-0.117192761,-0.008759998,0.085889439,0,0,0,1.116961357,-0.060974435,0.171042505,-0.644325546,-0.02798122,0.445032004,0,0,0,1.180964979,-0.296573444,0.093246733,-0.034718285,-0.228253338,0.208254598,0,0,0,-0.550890063,0.037137009,0.053269107,-0.132559949,0.159262536,0,0,0,-0.109239161,0.212111755,-0.439967362,-0.183488279,0.489327026,0,0,0,-0.084796809,0.205215491,-0.55225262,-0.10635799,0.48471639,0,0,0,-0.0867328,0.037357292,-0.101998971,-0.166649496,0.17353339,0,0,0,-0.06169728,0.168277372,-0.578641451,-0.043252654,0.424080712,0,0,0,-0.054589565,0.153131981,-0.576855718,-0.025051198,0.398430976,0,0,0,-0.25112806,0.078958085,-0.029398235,-0.193276975,0.176342738,0,0,0,1.468530045,0.685748548,1.093437067,1.28628043,0.389399277,0,0,0,1.420617299,0.877103296,1.617794962,1.035951796,0,0,0,0,1.575881923,0.987442109,1.775639821,0.821975248,0,0,0,0,1.044336986,0.782230737,1.287161094,1.425898413,0,0,0,0,1.628819317,1.056228236,1.838832132,0.725785892,0,0,0,0,1.633454525,1.072984225,1.847593908,0.70936211,0,0,0,0,1.230385621,0.735909519,1.228565523,1.437572323,0,0,0,0,23.71224599,11.98112299,16.8448629,23.89081741,3.412973916,11.98113924,0.25,0.020950949,0.002992993,-2.705899941,19.81291576,2.830416537,2.090433825,23.71537102,11.9823183,16.84646794,23.89341786,3.413345409,11.98233453,0.249265579,0.021039912,0.003005702,-2.702933847,19.81236381,2.830337687,2.090414324,26.55239126,13.07669839,18.50031833,26.26739521,3.752485029,13.07670334,-0.398994478,0.123492626,0.017641804,-1.464101682,20.64320512,2.949029303,2.119170351,23.71865102,11.98357291,16.84815297,23.89614731,3.41373533,11.98358912,0.2484948,0.021133341,0.003019049,-2.699832326,19.81178641,2.830255202,2.090393924,29.6642537,14.29097972,20.87730661,28.89118637,4.127312338,14.29098115,-1.082294264,0.25360049,0.036228641,-0.960396587,30.61797286,4.373996124,2.39511103,24.04059275,12.10686347,17.01562314,24.16426003,3.452037147,12.10687753,0.173134186,0.030579948,0.004368564,-2.441187552,19.76533254,2.823618934,2.088750665,31.5225194,15.98336618,23.81452651,31.83981437,4.548544911,15.98336647,0.444212963,0.003359342,4.80E-04,-3.987207121,18.04700968,2.57814424,2.025086002,0,11.89,15.99491614,-0.392234629,0.07750475,4.896120791,8.511210457,6,20,20,20,6,0,0,0,0,0,15.304898,3.578046996,2.88200232,2.333552793,2.333552793,2.120495497,1.206047177,0.40352498,0.083923071,1.905059976,1.484415782,1.249629723,1.249629723,0.796389249,0.336530709,0.083923071,0.083923071,3.576449463,2.877569488,2.405454588,2.405454588,1.979001668,1.169944131,0.520356718,0.270913902,1.864288867,1.411888378,1.134540686,1.134540686,0.805639628,0.243049883,0.270913902,0.270913902,3.69555621,3.109567948,2.704236987,2.704236987,2.432548102,1.684476298,0.962615202,0.943918427,1.695428919,1.113929373,0.76031856,0.76031856,0.309240495,0.340171517,0.943918427,0.943918427,3.587124825,2.900528763,2.457539916,2.457539916,1.972402598,1.188037689,0.602946893,0.399277246,1.839517533,1.367418502,1.058262671,1.058262671,0.800766069,0.16599016,0.399277246,0.399277246,3.739822295,3.192945222,2.838982085,2.838982085,2.515271325,1.846136365,1.207644823,1.207644823,1.652174788,1.029270739,0.631337262,0.631337262,0.211714702,0.500666978,1.13828341,1.207644823,4.143902413,3.406167539,2.824254692,2.605486906,2.605486906,1.550072632,0.614364777,0.566929134,1.812910125,1.20912711,0.904699505,0.904699505,0.385797064,0.270647051,0.566929134,0.566929134,0,0,0,0,0,4,1,0,1,0,0,0,0,0,0,0,0,0,0,1.654700538,0.288675135,0.866025404,0.288675135,1.495124849,0.288675135,0.387298335,0.129099445,2.598076211,0.577350269,0,1.640622073,0.417774579,0,6.077350269,2.943375673,3.520725942,1.732050808,0,0,0,0,0.868192896,0.490562612,0.391191771,0.288675135,0,0,0,0,5.524563865,2.624224294,3.041998873,1.253323738,0,0,0,0,0.789223409,0.437370716,0.337999875,0.20888729,0,0,0,0,10.50759373,20.54552076,19.42745098,19.72,12.07012096,162.609612,0.500361606,0.978358131,0.925116713,0.939047619,0.574767665,7.743314856,1.4133,31.1358,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,29,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.540277778,0,8.888888889,0,0,0,0,0,0,0,0,0,0,0.540277778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.548611111,0,0,0,0,0,0,0,0,0,0,0,7.840277778,0,0,0,0,0,-0.201388889,0,0,0,0,0,0.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.888888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.540277778,0,8.888888889,0,0,0,0,0,0,0,0,0,0,0.540277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.805555556,0,0,0,0,0,-0.201388889,0,0,0,0,0,0.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.888888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.540277778,0,8.888888889,0,0,0,0,0,0,0,0,0,0,0.540277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.011574074,0,0,0,0,0,0,0,0,0,0,0,0.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.888888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.58333333,2.369047619,0.540277778,8.888888889,0.111111111,-0.201388889,3.315020833,1.534722222,2.888888889,5.847222222,1.534722222,2.888888889,5.847222222,3.33333,0.47619,0,0.02381,0.46984,0.80952,0.42174,0.46984,0.74583,0.0481,0,-0.0481,0.06369,0.58823,0.12606,0,0.7,0.15,0.15,3.25,0.46429,3.25,0.46429,0,0,-3.25,-0.46429,0,0,7.37656,1.05379,8.30939,0.93283,0.13326,2.65812,0.37973,2.94337,0.28525,0.04075,0.47063,0.06723,0.47063,0.06723,0,6.01,1,1,1,1,1,1,1,1.115520094,1.720616645,2.117344208,2.580931708,2.162615763,1.134091142,23.42592197,36.13294954,44.46422837,54.19956586,45.41493102,23.81591398,0.253970737,0.391733219,0.482056282,0.587601364,0.492363269,0.258198812,3.276797329,2.671700778,2.274973215,1.811385715,2.22970166,3.258226281,0.258107046,0.398113205,0.489907319,0.597171367,0.500382171,0.262403982,9.935135927,14.47586075,16.57430436,17.04151944,12.0217281,1.142965441,25.72285013,20.89659384,18.61148392,18.99343019,16.48353452,6.127252279,7,1.851851852,2.666666667,7,0,4,2.01,1.0127,2.449489743,0,2.37841423,3.363585661,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0.348,0.454,0.442,0.331,0.169,2.978,9,6,0,0,0,0,0,0,0,28,1.945910149,2.302585093,1.945910149,0,0,0,0,0,0,0,3.36729583,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,6,1,0,2,3,0.5,3.5,1.333333333,0,0,0,0,0,0,0,0,0.583333333,0.148148148,0,0,0,0,0,0,0,0,0.731481481,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,20.23,121.1225932,3.807354922,3.433987204,4.110873864,4.934473933,5.666426688,6.475432717,7.221835825,8.026496939,8.776630098,9.580040124,71.22619739,2.564949357,0,3.891820298,0,5.379897354,0,6.91671502,0,8.466531277,8.706821323,102.1044651,4.862117384,12.29305504,1.75615072,2.327350269,2.327350269,0,42,6,1.434,30,1.2214,2.11535849,2.939876734,3.418222464,3.944350835,0,0,0,0,0,77.91771384,104.7643996,95.9230478,22.58680685,4.007712887,0,0,0,0,0,269.3444456,360.9009961,412.0352432,221.4312101,122.6051933,0,0,0,0,0,9.169769619,15.52799267,21.91854147,24.66859454,26.49997909,0,0,0,0,0,1.986542612,2.743938137,3.402798498,2.295040497,1.753709282,0,0,0,0,0,178.525005,332.2022753,457.7326669,597.3335103,729.3800951,0,0,0,0,0,3.154308333,4.849492324,8.193961311,6.813871971,3.944350835,0,0,0,0,0,0.431093955,0.606933608,0.780860094,0.548047712,0.403901525,0,0,0,0,0,355.675805,219.1118431,17.200722,98.4246334,-60.63387649,-13.03123155,257.2511716,279.7457196,30.23195355,0.783253604,0.482518458,0.037878673,0.216746396,-0.133525254,-0.028696805,161.512539,99.498784,7.8108554,44.69466917,-27.53386989,-5.91748796,0.341097762,0.636674756,12.81273642,15.61145759,392.0168979,62.08354043,0.86328236,0.13671764,408.0877446,20.20118176,7.417391191,552.0501458,23.4957474,8.203380253,742.2295103,27.24388941,9.054116379,1.194180521,1.095701465,260.5671987,215.8063754,159.8394595,1.20741196,1.63018068,1.350144552,3.577191587,3.220194404,5.261228039,0.633823111,4.340044604,5.125411054,3.475349519,23.48666987,5.402255847,3.870819446,7.984000196,7.013376248,3.338030839,0.006683873,3.96E-24,4.53E-67,9.99E-132,4.25E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.38413492,5.252197131,0.236052902,8.781990601,1.584740423,0.100840902,0.39375029,0.358906794,0.023510024,4.71E-05,2.79E-26,3.19E-69,7.04E-134,2.99E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.120585269,5.015978921,0.707381026,10.49567863,1.808697799,0.454488878,1.312211087,1.260154734,0.244992578,4.91E-04,2.91E-25,3.32E-68,7.33E-133,3.12E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.319606141,5.251936684,3.421762636,23.15373559,5.271914157,3.499444769,7.390002849,6.559872766,2.974125381,0.00595521,3.53E-24,4.04E-67,8.90E-132,3.79E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.584635688,4.926229367,1.033588902,11.90055376,2.100886208,0.820037771,2.106310508,1.985244088,0.532156616,0.001065559,6.32E-25,7.22E-68,1.59E-132,6.77E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.421862594,5.205686559,4.589136156,28.74926539,7.042081234,5.433953138,10.80795565,9.333770547,4.868204265,0.0097478,5.78E-24,6.61E-67,1.46E-131,6.20E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.648471924,4.59159183,2.301350351,19.90691419,4.606872313,1.550079676,4.098211196,3.939109472,1.072871962,0.002148255,1.27E-24,1.46E-67,3.21E-132,1.37E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.194554976,1.353794012,1.093737776,0.472751822,0.291634793,0.523977747,0.514949002,0.442158245,4.642086764,6.851938716,14.74349349,0.209127733,1.481084995,1.574847926,1.033883412,0.565252611,0.496173878,0.325736812,0.330056732,0.274544887,0.121991952,3.173983949,3.102801348,7.197134769,0.244260818,0.726593571,1.801471933,1.093633672,0.813489154,0.48575594,0.294891662,0.360103586,0.343036882,0.249070746,3.708594759,4.325287373,9.636578085,0.22863391,0.952211215,2.160974641,1.372380375,1.067915865,0.469647342,0.298261157,0.516116258,0.544810035,0.423561605,4.60127088,6.739005063,14.5073718,0.204471014,1.484487898,1.939230358,1.123095605,0.915815093,0.487471492,0.282316687,0.406151828,0.342006761,0.311935808,3.978141056,4.982465429,10.95519781,0.231207239,1.060094398,2.237578882,1.395598094,1.123478383,0.470410133,0.293399035,0.545983604,0.551312583,0.466267234,4.756655359,7.204556616,15.46956625,0.2056152,1.563563421,2.167396164,1.372604782,1.071182515,0.470030347,0.297668656,0.517927051,0.542882574,0.425774185,4.611183461,6.766965455,14.56489369,0.205045521,1.486583811 +UMLYSI0254,L,pentyl acetate,CCCCCOC(=O)C,saturated esters,C7H14O2,628-63-7,12348,PubChem,,40.4,0,-0.8823,0.77845329,31.0618,23.259102,0,0,23,9,14,0,7,0,2,0,0,0,0,0,0,0,1536.009745,1467.311804,1694.072836,1290.29587,1089.566613,898.906268,658.269575,471.635182,127.119888,3832.572288,4632.085644,5588.243923,5236.192301,4475.022516,3654.726637,2735.992706,1994.669063,1120.963057,173.54554,167.45108,302.095048,353.696008,288.514596,265.94048,202.915748,133.768576,111.43008,27.03328867,33.55214034,43.60337522,42.81862083,37.22574157,30.87189014,22.72114496,16.77380788,10.95324725,3847.310193,3237.717434,6434.654723,7920.694247,6466.614724,6097.165481,4623.723082,2984.992532,2583.794029,95.02777778,59.83333333,109.25,106.8333333,85.58333333,80.33333333,65.16666667,51.5,39,66.78303239,66.69599109,42.3518209,27.45310362,27.93760546,24.96961856,24.38035463,26.20195456,8.4746592,166.6335777,210.5493475,139.7060981,111.4083468,114.7441671,101.5201844,101.3330632,110.8149479,74.73087045,7.545458261,7.611412727,7.5523762,7.525446979,7.397810154,7.387235556,7.515398074,7.431587556,7.428672,1.175360377,1.525097288,1.090084381,0.911034486,0.954506194,0.857552504,0.841523887,0.931878216,0.730216483,167.2743562,147.1689743,160.8663681,168.5254095,165.8106339,169.3657078,171.2490031,165.8329184,172.2529352,4.131642512,2.71969697,2.73125,2.273049645,2.194444444,2.231481481,2.413580247,2.861111111,2.6,0.267740791,-0.15945756,0.079959346,-0.051920242,-0.012659906,0.016691166,-0.015916562,0.020665538,-0.018134848,799.1117029,-15.00476101,-5.477842469,-145.7386013,-109.7960136,11.34199864,-41.26356763,-96.70761016,-191.7048757,1081.795272,-149.5950004,-291.6044176,24.75657528,-153.9608026,17.30891135,104.2105672,-152.2166655,-198.4455116,1.975925913,0.013204083,0.789045369,-0.681585996,-0.247518896,-0.200742473,-0.410086941,-0.143250193,-0.281461248,4.769103567,-1.066326256,-1.688620916,0.641212627,-0.679950381,-0.079408475,0.788674944,-0.675899995,-0.529096576,26.67799994,-6.490143964,-9.469081274,4.105018536,-3.789420971,-0.809084441,4.660228463,-3.724255341,-2.357931401,38.15700483,-0.558391094,14.48057131,-9.677116152,-5.106805293,-3.622558286,-6.448802773,-2.271424071,-8.823408948,0.011640904,-0.007248071,0.001998984,-0.001104686,-3.25E-04,4.64E-04,-5.90E-04,0.001148085,-0.00120899,34.74398708,-0.682034591,-0.136946062,-3.100821303,-2.815282399,0.315055518,-1.528280283,-5.372645009,-12.78032505,47.03457702,-6.799772747,-7.290110439,0.526735644,-3.947712887,0.480803093,3.859650637,-8.456481415,-13.22970077,0.085909822,6.00E-04,0.019726134,-0.01450183,-0.006346638,-0.00557618,-0.015188405,-0.007958344,-0.018764083,0.207352329,-0.048469375,-0.042215523,0.013642822,-0.017434625,-0.002205791,0.029210183,-0.03755,-0.035273105,1.159913041,-0.295006544,-0.236727032,0.08734082,-0.09716464,-0.022474568,0.172601054,-0.206903074,-0.157195427,1.65900021,-0.025381413,0.362014283,-0.205896088,-0.130943725,-0.100626619,-0.238844547,-0.126190226,-0.588227263,-0.62263815,0.171720655,-0.094896926,-0.027885548,0.039828822,-0.050640596,0.098625112,-0.103857045,-0.019630291,-0.003941576,-0.089247711,-0.081029342,0.009067915,-0.0439869,-0.154635247,-0.367842787,-0.144569659,-0.154994706,0.011198903,-0.083932144,0.010222333,0.082059856,-0.179792866,-0.281276066,0.006986228,0.229614422,-0.16880293,-0.073875585,-0.06490736,-0.176794746,-0.09263602,-0.21841604,-0.233753706,-0.203593194,0.065795363,-0.084082128,-0.010637889,0.140872221,-0.181092732,-0.170111931,-0.254335052,-0.204090327,0.075299455,-0.083768901,-0.01937608,0.148805167,-0.178378091,-0.135523458,-0.015299223,0.218212319,-0.124108537,-0.0789293,-0.060654977,-0.143968967,-0.076064021,-0.354567323,1.612592009,0.884576556,1.143294316,0.892097373,0.891203962,1.22804873,0.934256064,0.767771123,1.090358552,1.004347089,1.067728921,1.012201879,0.911384472,1.013031449,1.096552035,1.28529793,1.504503624,1.213276632,0.889916544,1.044132704,0.876792745,0.763591649,1.131143762,1.085366725,0.709899086,0.724184541,1.306165132,0.933510553,0.996633409,1.366947638,1.011303099,1.30855473,1.714180848,1.293107351,0.821975507,1.045782533,0.87500543,0.673997193,1.132931078,0.936965374,1.747015013,1.298987705,0.81697095,1.042337028,0.878738061,0.669329782,1.129198447,0.901689094,0.57874913,0.456647623,1.102016408,0.936302414,0.990304066,1.334641599,1.618920259,2.190947648,45.63188647,23.06594323,37.01489929,46.02077536,5.113419484,23.06594323,0.5,0.182518498,0.020279833,-1.530813376,36.77929773,4.086588637,3.244441613,45.6465285,23.07252983,37.02556091,46.03427496,5.11491944,23.07252983,0.498531158,0.182281781,0.020253531,-1.531981388,36.78117688,4.086797431,3.244487595,58.69565721,28.94883413,46.99614112,58.07499914,6.452777682,28.94883413,-0.797988956,0.016831781,0.001870198,-3.676037821,46.72106221,5.191229134,3.459775566,45.66189583,23.07944272,37.03675224,46.0484433,5.1164937,23.07944272,0.4969896,0.18203347,0.020225941,-1.533208239,36.78321177,4.08702353,3.244537385,72.62832548,35.23186848,58.25731474,70.94475663,7.882750736,35.23186848,-2.164588529,0.085715508,0.009523945,-2.211049363,32.45868799,3.606520887,3.131971328,47.1664642,23.75636628,38.14017196,47.43578404,5.270642671,23.75636628,0.346268372,0.158374071,0.017597119,-1.658515958,37.29418825,4.143798695,3.256953753,45.47119041,23.00184523,37.82475288,46.12374773,5.124860859,23.00184523,1.174603175,0.319352431,0.035483603,-1.027313989,46.22440857,5.136045397,3.450157184,0,11.89,15.99591816,-0.315863533,0.301597074,3.702097691,6.817212756,8,22,21,21,7,1,1,0,0,1,18.178898,3.512042248,3.314728634,2.900626581,2.333550439,2.070493521,1.668001757,1.232217321,0.946809698,1.857720121,1.598763241,1.483615856,1.101558782,0.755860301,0.557278063,0.456077465,0.083923071,3.45751699,3.233670946,2.916306874,2.338378118,1.988987236,1.678727099,1.309590153,0.603773608,1.809784218,1.607652208,1.409141737,1.017428657,0.692445487,0.546968431,0.388448668,0.270913902,3.623797209,3.442651427,3.119375948,2.638421604,2.362428242,2.077815151,1.783785582,1.226363441,1.606518748,1.351090758,1.136526967,0.646045004,0.262697799,0.090290412,0.143367208,0.943918427,3.468270048,3.21011147,2.941276454,2.368622793,1.980744455,1.725597828,1.388938761,0.459589502,1.787835016,1.612736638,1.361151249,0.96260476,0.681160578,0.492972105,0.288548449,0.399277246,3.666217117,3.47017764,3.202194046,2.746740127,2.440046245,2.222861839,1.977591366,1.208936353,1.553423458,1.321183712,1.056243709,0.537700073,0.184420972,0.047572781,0.335275493,1.207644823,4.918791995,3.500204456,3.222747429,2.862362146,2.624369538,2.068877022,1.645433185,1.4454835,1.731519243,1.321998527,1.163670651,0.792883325,0.387979984,0.148197433,0.157979892,0.6,0,0,1,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.083333333,0,0,0,0.288675135,0.204124145,0.144337567,0.058925565,0.041666667,0.029462783,7.112884175,4.27005561,3.243182156,1.635027805,0.979362553,0.567513903,0.306186218,0.204124145,0.790320464,0.533756951,0.40539777,0.272504634,0.195872511,0.141878476,0.102062073,0.102062073,6.144923706,3.404030206,2.047150118,1.053216163,0.567959596,0.254724675,0.122895406,0.07186437,0.682769301,0.425503776,0.255893765,0.175536027,0.113591919,0.063681169,0.040965135,0.035932185,12.22239284,22.87618354,21.77647059,22.12,13.55036048,177.5068275,0.531408384,0.994616676,0.946803069,0.96173913,0.589146108,7.717688154,1.7397,36.158,26.27222476,41.81111968,52.54444952,5.838272169,26.27222476,0.068226739,0.007580749,-2.41642685,44.11417306,4.901574784,3.408103004,87,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,1,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.88967545,-0.174904573,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.764726828,0.5125,0,0,0,0,0,0,0,0,0,0,3.555270692,0,3.896625094,0,0,0,0,0,0,-0.174904573,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18467545,4.705,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.705,-0.174904573,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252411069,0.5125,0,0,0,0,0,0,0,0,0,0,1.436454082,0,0.586481481,0,0,0,0,0,0,-0.174904573,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18467545,4.705,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18467545,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,2.11881661,0,1.167921391,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18467545,4.705,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.16666667,2.462962963,0.625444657,10.18467545,0.237777778,-0.174904573,3.438711779,1.84157124,3.184675454,9.016984127,1.84157124,3.184675454,9.016984127,4.16666,0.46296,0,0.03704,0.52319,0.87037,0.42414,0.52319,0.87037,0.09905,0,-0.09905,0,0.53191,0.18238,0,0.32,0.12,0,6.25,0.69444,4.75,0.52778,1.5,0.16667,-3.25,-0.36111,0,0,6.98396,0.776,9.8423,2.85833,0.31759,3.15409,0.35045,4.27005,1.11596,0.124,0.14395,0.01599,0.14395,0.01599,0,8.02,2,2,2,2,0,0,0.857142857,1.264672679,1.999307329,3.348798912,3.675310869,3.551191174,3.762267391,29.08747163,45.98406858,77.02237498,84.53214998,81.67739701,86.53214998,0.279574524,0.441976334,0.740301326,0.812481603,0.785043116,0.831704623,3.258889277,2.524254627,1.174763044,0.848251087,0.972370782,0.761294565,0.279574524,0.441976334,0.740301326,0.812481603,0.785043116,0.831704623,11.60803893,20.77103861,24.40354894,23.77677456,24.60752493,24.82025282,32.94327953,20.86971424,17.35413965,17.47483124,16.78859037,16.15819021,9,6.125,8,9,3,5,2.01,1.1693,0.142857143,2.576474029,0.816496581,0,3.965406457,1.208550159,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,3.857,8,6,5,4,3,2,0,0,0,45,2.302585093,2.397895273,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,0,0,0,3.988984047,1.177777778,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.625,7,0.875,0,4,7,0.75,1.5,0.444444444,0.25,0.16,0.111111111,0.081632653,0,0,0,0,0.1875,0.055555556,0.041666667,0.032,0.027777778,0.027210884,0,0,0,0,0.371710884,26.27222476,41.81111968,52.54444952,5.838272169,26.27222476,0.068226739,0.007580749,-2.41642685,44.11417306,4.901574784,3.408103004,26.3,144.5723458,4.169925001,3.496507561,4.110873864,4.795790546,5.433722004,6.124683391,6.771935556,7.463363046,8.115221973,8.805824813,72.11792275,2.833213344,0,3.891820298,0,5.081404365,0,6.329720906,0,7.609366538,7.940939762,130.0993797,5.656494769,16.66375611,1.851528457,5.239120384,5.239120384,0,114,6,2.16,32,1.233227273,2.11587132,2.85785065,3.647342364,4.837085379,5.820711086,7.108444577,8.043673871,9.163916316,0,92.90307534,98.69457906,90.0740279,123.2099834,137.5628444,160.8053496,199.3640499,70.1665175,9.311125467,0,281.9160909,315.3378381,345.7634766,476.0007003,531.6070475,643.7112127,828.5301031,621.8867409,284.8488327,0,9.447098999,16.08808462,21.56370028,27.12964944,35.89445692,43.94453876,52.81048957,59.62612622,61.56744187,0,1.992608666,2.412318875,2.755455688,3.8360294,4.37925438,5.226689996,6.899059392,6.068418954,4.074395453,0,179.7781318,337.2208987,478.2943751,592.7890191,812.0236857,986.7240623,1169.52097,1375.876169,1694.569888,0,3.447731061,6.064504242,6.602507176,8.147709371,11.05081647,14.25467968,20.40887452,20.67465528,9.163916316,0,0.450467386,0.571900178,0.656724816,0.89220654,1.049242886,1.262873726,1.62594554,1.463621325,0.938385031,0,391.1905936,306.4840051,12.75709636,195.8381894,-153.4323003,-22.24352212,195.3524042,459.9163054,35.00061848,0.666390823,0.522093659,0.021731637,0.333609177,-0.261371,-0.037891706,229.6401381,179.9149325,7.488782752,114.962654,-90.06917651,-13.05758772,0.329712008,0.403110775,1.866419642,4.063968567,532.5837306,54.44505242,0.907253181,0.092746819,648.0661598,25.45714359,8.653791915,783.6846649,27.99436845,9.219636166,1064.778679,32.63094665,10.21142728,2.435569495,2.435569495,1075.99638,1015.776457,80.27855208,1.059284621,13.40328584,12.65314871,4.632872691,5.327226435,9.768140747,0.833625971,3.917833806,5.241545688,3.654546008,18.92555454,7.312361839,1.466862141,5.574732093,6.9951913,4.118195758,1.34757348,4.679603103,1.947482036,2.612574573,0.010463711,3.717858731,0.769637728,3.988913948,0.806306342,0.009253927,1.10E-23,2.50E-66,1.10E-130,9.34E-217,0,0,0,0,0,0,0,0.345304163,5.392468715,0.327968015,6.063458812,0.257015382,1.325465431,1.827769296,0.481595278,1.422699516,0.035796926,2.180737197,0.200365532,0.322534995,0.009731129,0.214618149,0.707413239,0.240731552,0.005678883,6.52E-05,7.71E-26,1.76E-68,7.75E-133,6.58E-219,0,0,0,0,0,0,0,1.067266495,5.111389101,0.775829952,6.063515618,0.775771465,1.333236401,1.818261696,1.225439957,1.639388315,0.166489101,2.328829099,0.405938178,0.617954303,0.005685413,0.523237283,0.719100989,0.839070075,0.059178328,6.79E-04,8.04E-25,1.83E-67,8.08E-132,6.86E-218,0,0,0,0,0,0,0,3.703230625,5.392104873,3.934943619,18.65410212,7.225255344,1.466465208,6.252983308,6.818571835,4.593123728,1.218776851,4.644098399,2.262215963,2.485855158,0.012479918,3.902295386,0.765469813,3.700463904,0.718404436,0.008245082,9.76E-24,2.23E-66,9.80E-131,8.32E-217,0,0,0,0,0,0,0,1.565372702,5.004591042,1.0115162,6.788177422,1.235392493,1.343474705,1.892014854,1.801124689,1.719031018,0.29690392,2.492515058,0.472162075,0.853052688,0.004336473,0.718187202,0.72742522,1.299320878,0.128543233,0.001475282,1.75E-24,3.98E-67,1.75E-131,1.49E-217,0,0,0,0,0,0,0,4.731374743,5.337037471,4.941108371,25.11802687,10.66126527,1.525651099,7.28844281,9.584610342,5.37252611,1.879506868,5.843047245,2.720690916,3.444858358,0.013203878,5.347338296,0.785476778,5.12389221,1.175922017,0.013495982,1.60E-23,3.65E-66,1.60E-130,1.36E-216,0,0,0,0,0,0,0,2.465227058,5.395997628,3.151576575,18.79749692,4.531794974,1.424053845,7.764987277,5.697952184,4.556990411,0.546717701,3.696002306,3.757590196,1.799563718,0.03705028,4.804117337,1.057145094,2.431709345,0.290270292,0.003331414,3.94E-24,9.00E-67,3.96E-131,3.36E-217,0,0,0,0,0,0,0,9.329441316,0.794506496,0.432671491,0.883752748,0.075261452,0.54764856,0.501604412,0.521721165,10.5566193,11.79264532,25.55635627,0.825629122,1.570974137,8.135557656,0.55185617,0.077051133,0.928243503,0.062965186,0.425995354,0.220916117,0.016545502,8.764464958,5.159032764,14.26943093,0.892365255,0.663456973,8.650884597,0.589865844,0.220577479,0.914341482,0.062344932,0.473266697,0.27854071,0.135595174,9.461327921,7.141162787,17.728067,0.871512224,0.887402581,9.236025509,0.80681198,0.410617078,0.883538112,0.077181373,0.537529832,0.520843027,0.469889685,10.45345457,11.57549662,25.08876126,0.825307168,1.528262544,8.911291226,0.617373679,0.293230964,0.907288302,0.062856875,0.500247587,0.30468879,0.239630201,9.821895868,8.295696244,19.7308306,0.860932453,1.044566578,9.399092746,0.827482745,0.456503139,0.879811248,0.07745733,0.555801053,0.543719322,0.58077703,10.68307863,12.44605088,26.67962242,0.819716873,1.680297404,9.314356196,0.819203739,0.413962653,0.883084736,0.077667882,0.546864877,0.537401623,0.477577895,10.54752259,11.82527077,25.53147553,0.824627103,1.561844395 +UMLYSI0255,L,ethyl-3-methyl-2-butenoate,CCOC(=O)C=C(C)C,unsaturated esters,C7H12O2,638-10-8,12516,UML,,39.5,0,1.7111,2.92786321,36.3098,21.925516,0,0,21,9,12,0,7,0,2,0,0,0,0,0,0,0,1533.977617,1443.097628,1753.587341,1433.993203,1442.128187,749.371899,448.968578,157.477824,18.289152,3770.404799,4402.612411,5208.60451,5034.612595,4367.804138,3251.342352,2431.86105,1749.84433,559.5073998,160.108612,153.215816,259.81214,261.812452,270.381332,220.831788,127.76564,166.033152,120.932352,26.14406286,31.32505172,38.59746505,38.33184632,33.37576126,23.95871146,21.38771474,18.69788658,8.003032287,3477.474889,2931.472338,5489.591245,5452.595469,6001.909261,4446.717809,2798.934789,4056.482397,3328.517736,97.05555556,62.08333333,108.6111111,99.33333333,112,106.6666667,33,36,18,73.04655319,72.1548814,51.57609826,42.17627068,40.05911631,28.82199612,24.94269878,6.561576,1.016064,179.5430857,220.1306206,153.1942503,148.076841,121.3278927,125.0516289,135.1033916,72.9101804,31.08374443,7.624219619,7.6607908,7.641533529,7.700366235,7.510592556,8.493530308,7.098091111,6.918048,6.718464,1.244955374,1.566252586,1.13521956,1.127407245,0.92710448,0.921488902,1.188206375,0.779078607,0.444612905,165.5940423,146.5736169,161.458566,160.370455,166.7197017,171.027608,155.4963771,169.0200999,184.917652,4.621693122,3.104166667,3.194444444,2.921568627,3.111111111,4.102564103,1.833333333,1.5,1,0.278292885,-0.178495376,0.062469772,-0.043471238,0.118665068,-0.118668859,0.00247105,0.005345452,0.012537688,751.701177,-11.34037805,215.2665016,-262.9789209,289.4785368,-780.312947,-243.6317576,-49.66395023,467.3323269,1018.843734,-137.0120425,126.4274825,-323.8783058,151.1513538,-289.9862256,-426.8564083,-229.7900186,620.5222974,1.933471238,0.001381297,0.783510948,-0.5534601,0.075519592,-2.035100009,0.066731129,0.276199728,0.418481796,4.548872301,-0.99958663,0.170922784,-1.249129926,-0.612179539,1.269912953,-1.738979932,-1.286246911,2.17085105,25.57408015,-6.115137727,0.591672438,-6.678318111,-5.602392312,10.53186613,-9.089627921,-7.306597601,10.88149503,37.60582011,-2.440728143,15.0165029,-9.964978584,5.839758125,-40.14159738,1.512471655,2.990173847,8.385487528,0.013252042,-0.008924769,0.001837346,-0.001278566,0.003296252,-0.004564187,1.37E-04,2.23E-04,6.97E-04,35.79529414,-0.567018902,6.331367694,-7.734674143,8.041070467,-30.01203642,-13.53509765,-2.06933126,25.96290705,48.51636829,-6.850602125,3.718455369,-9.525832523,4.198648716,-11.15331637,-23.7142449,-9.574584109,34.47346096,0.092070059,6.91E-05,0.02304444,-0.016278238,0.002097766,-0.078273077,0.003707285,0.011508322,0.023248989,0.216612967,-0.049979331,0.005027141,-0.036739115,-0.017004987,0.048842806,-0.096609996,-0.053593621,0.120602836,1.21781334,-0.305756886,0.017402131,-0.196421121,-0.155622009,0.405071774,-0.504979329,-0.304441567,0.604527502,1.790753338,-0.122036407,0.44166185,-0.293087605,0.162215503,-1.543907592,0.084026203,0.124590577,0.465860418,-0.673463662,0.138646272,-0.096480664,0.248735392,-0.344413853,0.010359198,0.016807008,0.052560823,-0.015840599,0.176877096,-0.216080754,0.224640436,-0.838435251,-0.378125057,-0.057810148,0.725316209,-0.141201874,0.076643316,-0.196342654,0.08654087,-0.229887701,-0.488788542,-0.197347502,0.710553205,7.50E-04,0.250292439,-0.176802735,0.022784459,-0.850146922,0.040265913,0.124995271,0.252514106,-0.230731023,0.02320794,-0.169607185,-0.078504013,0.22548422,-0.44600283,-0.247416496,0.556766467,-0.251070403,0.014289653,-0.161290006,-0.127788064,0.332622218,-0.414660697,-0.249990336,0.496404073,-0.068148083,0.246634665,-0.163667212,0.090585063,-0.862155361,0.046922265,0.069574393,0.260147731,1.673872703,0.905280466,1.356828099,1.123052546,2.076699678,0.154549868,0.100068451,1.79E-04,0.998072496,0.810330885,1.216229141,0.732328902,2.096448488,1.163182455,0.805280161,0,1.376499109,0.922873418,1.190109464,0.829008074,0.982438491,1.595848464,1.104818167,0,0.71322085,0.766282258,1.29180461,0.957201838,3.393648382,0.088587934,0.061330108,0,1.575925028,0.994451356,1.19321527,0.96976253,0.533755256,1.597894897,1.106234928,0,1.608658199,1.009151229,1.197783065,1.014467316,0.493396837,1.543877945,1.068838577,0,0.624903271,0.473826323,1.083435062,1.165435573,3.753510647,0.100949701,0.132958143,0,36.88687217,18.69343609,28.25181981,37.27576106,4.141751229,18.69343612,0.5,0.052048235,0.005783137,-2.660025959,44.69670058,4.966300064,3.419909718,36.90005225,18.6992917,28.26117301,37.28779871,4.143088745,18.69929174,0.498531158,0.052374833,0.005819426,-2.654396175,44.76644017,4.974048907,3.42131288,48.68484504,23.94342804,37.0939064,48.06418696,5.340465218,23.94342804,-0.797988956,0.255079825,0.028342203,-1.229560868,42.60179375,4.733532638,3.376706723,36.91388535,18.70543747,28.27099136,37.30043282,4.144492535,18.70543751,0.4969896,0.05271733,0.005857481,-2.648529924,44.84004269,4.982226966,3.422791395,61.3156182,29.57551483,47.08074609,59.63204934,6.62578326,29.57551483,-2.164588529,0.355448948,0.039494328,-0.930936282,32.37281797,3.596979774,3.129587207,38.26891566,19.30759202,29.24104318,38.53823551,4.282026167,19.30759203,0.346268372,0.084874617,0.009430513,-2.21992219,54.86410173,6.096011303,3.604373325,34.7463922,17.7072948,26.6801871,35.37161266,3.930179185,17.70729489,1.125396825,3.44E-04,3.82E-05,-7.177263321,36.85922866,4.095469851,3.246395423,0,11.89,15.99591816,-0.312565664,0.285874762,4.28068204,7.497960366,8,20,18,18,6,2,2,0,0,2,15.992484,3.620993929,3.210600796,2.858076972,2.333552793,1.979279442,1.826565639,0.975767499,0.370669912,1.815800535,1.645997178,1.249629723,1.174102897,0.846415218,0.359888133,0.083923071,0.083923071,3.562769125,3.15550747,2.781559251,2.405454588,1.962447718,1.748285941,0.604773568,0.483776227,1.798269768,1.600126754,1.213277518,1.134540686,0.745895967,0.428295477,0.270913902,0.270913902,3.685262396,3.367061866,3.01956527,2.704236987,2.31322794,2.107169459,1.226918708,0.959233556,1.64311695,1.335280744,0.925660528,0.76031856,0.313064624,0.024317078,0.943918427,0.943918427,3.559105756,3.157562288,2.765014818,2.457539916,1.987187445,1.754229524,0.569771583,0.459591601,1.797339918,1.57167904,1.223823456,1.058262671,0.681797715,0.420234863,0.399277246,0.399277246,3.702570458,3.422912555,3.057572488,2.838982085,2.434658532,2.188444097,1.208936353,1.207644823,1.617120795,1.274521259,0.888740416,0.631337262,0.188906987,0.052791119,1.150755293,1.207644823,4.610517581,3.459376759,3.279232562,2.571572866,2.502968941,2.243443258,1.488475475,0.651505455,1.668189119,1.461721417,0.935209229,0.867044133,0.539147336,0.118763791,0.545454545,0.545454545,0,0,1,1,1,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0.696923425,0,0,0,0.336787657,0,0,0,0.606493072,1.057677536,0.638071187,0.202414519,0.216994689,0.116753964,7.276020882,4.16390246,3.523395961,1.655247862,1.415388264,0.353553391,0.23570226,0,0.808446765,0.520487808,0.39148844,0.23646398,0.202198323,0.11785113,0.11785113,0,6.100953631,2.981380475,1.973736132,0.693122731,0.419627825,0.125,0.083333333,0,0.677883737,0.372672559,0.219304015,0.099017533,0.059946832,0.041666667,0.041666667,0,11.68056503,20.98834669,20.05098039,20.36,12.75180599,161.2212671,0.556217382,0.99944508,0.95480859,0.96952381,0.607228857,7.677203194,1.44189,35.794,23.54410915,35.6176469,47.08821831,5.232024257,23.54410916,0.046214987,0.005134999,-2.767006032,47.54060139,5.282289043,3.475425701,72,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,2,2,0,1,0,0,0,0,0,0,0,0,3,0,1,0,1,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.19222222,2.189537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.563263889,0,0,0.975208333,0.791805556,0,0.563263889,0,0,0,0,0,0,0,0,5.504537037,0,0.447037037,0,1.475694444,0,0,0,0,0.713842593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.55486111,4.637361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.637361111,-0.252314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.563263889,0,0,0.393680556,0.395902778,0,0.563263889,0,0,0,0,0,0,0,0,1.788425926,0,0.447037037,0,1.475694444,0,0,0,0,-0.252314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.55486111,4.637361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.55486111,1.475694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.563263889,0,0,0.581527778,0.395902778,0,0.563263889,0,0,0,0,0,0,0,0,1.858055556,0,0.447037037,0,1.475694444,0,0,0,0,0.966157407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.55486111,4.637361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.33333333,2.592592593,0.612847222,10.55486111,0.217430556,-0.252314815,2.905974491,1.918981481,3.554861111,9.384444444,1.918981481,3.554861111,9.384444444,4.16666,0.46296,0,0.03704,0.54444,0.87037,0.42414,0.52319,0.87037,0.12031,0.02126,-0.09905,0,0.53191,0.18238,0,0.44,0.24,0,7.75,0.86111,4.75,0.52778,3,0.33333,-1.75,-0.19444,0,0,6.12278,0.68031,10.47473,4.35195,0.48355,2.42237,0.26915,4.16389,1.74152,0.1935,0.25011,0.02779,0.25011,0.02779,0,8.02,2,2,2,2,0,0,0.571428571,1.312744353,2.484996099,3.236857303,3.236857303,3.236857303,3.027699331,27.56763142,52.18491807,67.97400337,67.97400337,67.97400337,63.58168595,0.298872833,0.56575968,0.736936107,0.736936107,0.736936107,0.68931706,3.07957307,1.907321324,1.155460119,1.155460119,1.155460119,1.364618092,0.294374814,0.557245028,0.72584526,0.72584526,0.72584526,0.678942877,11.97240834,23.82061322,24.57835776,24.57835776,24.57835776,22.06846209,32.89486864,19.08255806,18.65498944,18.65498944,18.65498944,17.4000416,9,4.839506173,5.87755102,9,5,4,2.01,1.1263,0.721124785,2.210418899,2.649083346,0,0.333333333,2.37841423,0,0.5,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.418,0.634,0.224,3.774,9,7,7,3,2,0,0,0,0,45,2.397895273,2.708050201,2.708050201,2.890371758,1.945910149,1.609437912,0,0,0,0,4.317488114,1.644444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.375,6,0.75,0,3,6,1,2.5,0.666666667,0.625,0.16,0.111111111,0,0,0,0,0,0.3125,0.074074074,0.089285714,0.022857143,0.037037037,0,0,0,0,0,0.535753968,23.54410915,35.6176469,47.08821831,5.232024257,23.54410916,0.046214987,0.005134999,-2.767006032,47.54060139,5.282289043,3.475425701,26.3,141.9358871,4.169925001,3.555348061,4.204692619,4.96284463,5.631211782,6.398594935,7.072421901,7.841885929,8.517393171,9.287208816,74.47160184,2.833213344,0,3.970291914,0,5.252273428,0,6.608000625,0,8.002024818,8.292548514,128.0837296,6.09922522,16.49037012,1.832263347,5.268054819,5.268054819,0,102,7,1.542,34,1.226624486,2.110858718,2.994706005,3.761419113,4.789176982,6.014964249,6.74289813,7.71644803,0,0,99.86547085,122.8866213,136.638293,168.4585058,153.5586821,165.8940665,47.6245142,7.840405051,0,0,292.5326458,353.81225,470.2596921,495.351375,643.3052863,858.3305842,517.1227982,239.8560985,0,0,9.473722688,16.29416064,23.09810841,28.30282023,40.3907104,42.79983185,46.76935687,51.8426783,0,0,2.029631264,2.558521869,3.534909363,3.710101507,4.72075517,7.427023046,5.457133849,3.430832374,0,0,178.1520248,336.2985555,476.2975286,619.8293855,810.1425108,927.7270153,1129.994364,1426.907452,0,0,3.951392005,7.217475843,8.864463378,11.78669721,18.87149494,11.36032011,10.41914102,7.71644803,0,0,0.461715222,0.610435451,0.838656891,0.921073226,1.227837124,1.576403188,1.196323791,0.790164278,0,0,354.6011512,273.6115817,14.04437629,110.6634521,-85.38833576,-14.84218789,243.9376991,358.9999175,28.88656418,0.762149428,0.588077365,0.030185783,0.237850572,-0.183526396,-0.031900531,164.9833639,127.301784,6.534351164,51.48778713,-39.72817016,-6.90554466,0.370459664,0.405035735,2.935915128,6.701810531,415.076908,50.18769531,0.892130854,0.107869146,656.6851896,25.62586954,8.691987116,777.0455101,27.87553605,9.193526914,1130.609649,33.62453938,10.41767719,2.044776868,2.044776868,817.4017856,720.433757,109.7023906,1.134596731,7.451084534,6.567165523,4.436909159,4.53976897,8.872295724,0.954349612,4.988208667,4.934177048,2.700855832,15.80115676,3.595413343,7.032849373,6.335620751,8.475238567,7.049967384,1.69385692,4.185668724,3.772776716,3.90017687,2.53730231,4.734861888,0.001492039,0.391350996,1.54E-17,1.17E-55,1.72E-115,4.87E-197,2.65E-300,0,0,0,0,0,0,0,0,0.42737491,5.206780784,0.262005464,6.96082559,1.999640548,0.860598929,1.867215538,2.118446033,0.955197506,0.19015032,0.87743598,0.117366839,0.224656034,0.099836684,0.151930549,9.83E-05,0.002756317,1.09E-19,8.26E-58,1.21E-117,3.43E-199,1.87E-302,0,0,0,0,0,0,0,0,1.354488106,4.679247653,0.613773996,6.593839647,1.551135605,1.606844772,2.249573528,2.194876728,1.751980273,0.329403326,1.292115003,0.425168945,0.792531044,0.374071115,0.652173527,3.35E-04,0.028722949,1.13E-18,8.61E-57,1.26E-116,3.57E-198,1.95E-301,0,0,0,0,0,0,0,0,4.711172315,5.215929873,2.979022534,16.55121046,3.69893626,7.140041095,6.525761143,9.011282276,7.809170237,2.123642091,3.890948799,3.393923209,3.610645123,2.309084758,4.3003278,0.001389848,0.348686692,1.37E-17,1.05E-55,1.53E-115,4.34E-197,2.37E-300,0,0,0,0,0,0,0,0,1.992247679,4.479484494,0.777460224,6.775454633,1.497594027,2.121318134,2.616396282,2.455245622,2.1327748,0.327436986,1.654157224,0.766619139,1.236510987,0.628628114,1.124803745,5.12E-04,0.062390083,2.46E-18,1.87E-56,2.74E-116,7.76E-198,4.23E-301,0,0,0,0,0,0,0,0,6.023995836,5.118748513,3.62608352,20.47196343,4.665062729,9.387055622,7.850539069,11.38889316,9.38524694,2.471333407,5.381561371,5.351573263,5.045439083,3.471985086,6.518567758,0.001889563,0.570748648,2.25E-17,1.71E-55,2.51E-115,7.10E-197,3.87E-300,0,0,0,0,0,0,0,0,2.874533157,5.302287019,2.527594321,17.68151406,4.668556114,6.176568532,6.568419872,10.88362278,8.65330452,1.757850859,2.014714111,1.318937171,1.850393601,1.030808236,1.867626079,7.84E-04,0.116435007,4.59E-18,3.49E-56,5.12E-116,1.45E-197,7.90E-301,0,0,0,0,0,0,0,0,8.538537238,1.342936311,0.300844968,0.838565129,0.13188905,0.636392338,0.530871056,0.380908177,10.18231852,14.4395033,28.07152433,0.757847693,1.548171571,5.588539975,0.812035701,0.04968586,0.866405175,0.125891903,0.2726544,0.193949422,0.010389638,6.450261536,4.856112083,11.53185272,0.799607763,0.47699346,7.072051625,0.972134253,0.146530991,0.863422792,0.118687322,0.436612534,0.278010064,0.090363651,8.190716869,8.053706153,17.25182119,0.795134188,0.804986249,8.233462382,1.32162429,0.284130779,0.83680053,0.134322094,0.591726029,0.514166495,0.339759302,9.839217451,13.59643809,26.52743707,0.755200796,1.445651825,7.753826688,1.070318073,0.197817592,0.859439043,0.118634731,0.524841264,0.337050879,0.164689009,9.021962353,10.04463191,20.70829449,0.789158564,1.026581152,8.665282651,1.392770251,0.319089439,0.835035539,0.134215202,0.655418174,0.57102709,0.428508709,10.37714234,15.27816635,29.50631869,0.752553309,1.654953973,8.291630895,1.335066886,0.286699168,0.836406626,0.134672998,0.600128446,0.524632978,0.345929548,9.913396949,13.82984808,26.91697095,0.754609939,1.470690972 +UMLYSI0256,L,cyclopentane,C1CCCC1,cyclic alkanes,C5H10,287-92-3,9253,PubChem,,39.4,0,-1.44,2.0736,14.558,15.46793,0,0,15,5,10,0,5,0,0,0,0,0,0,0,0,0,731.481245,842.391485,968.542685,262.46304,20.32128,0,0,0,0,2428.421953,3264.950672,4567.735558,2916.407216,621.6748886,0,0,0,0,104.88722,108.8789,213.64754,276.72192,134.36928,0,0,0,0,18.39062905,25.0799431,38.43845072,31.1631443,8.892258097,0,0,0,0,2483.148301,2165.197258,4621.010995,6760.803995,3698.35304,0,0,0,0,21.25,26.25,46.25,50,20,0,0,0,0,48.76541633,56.15943233,32.28475617,6.561576,1.016064,0,0,0,0,161.8947969,217.6633782,152.2578519,72.9101804,31.08374443,0,0,0,0,6.992481333,7.258593333,7.121584667,6.918048,6.718464,0,0,0,0,1.226041937,1.671996207,1.281281691,0.779078607,0.444612905,0,0,0,0,165.54322,144.3464838,154.0336998,169.0200999,184.917652,0,0,0,0,1.416666667,1.75,1.541666667,1.25,1,0,0,0,0,0.020906774,2.17E-18,-0.010453387,-0.013937849,0.013937849,0,0,0,0,403.5533633,7.82E-14,-201.7766817,-269.0355756,269.0355756,0,0,0,0,750.4247115,2.42E-13,-375.2123557,-500.283141,500.283141,0,0,0,0,0.079053333,1.13E-15,-0.039526667,-0.052702222,0.052702222,0,0,0,0,3.354747616,-1.33E-15,-1.677373808,-2.236498411,2.236498411,0,0,0,0,18.22304229,5.37E-14,-9.111521147,-12.14869486,12.14869486,0,0,0,0,0.833333333,-2.91E-16,-0.416666667,-0.555555556,0.555555556,0,0,0,0,0.001393785,1.45E-19,-3.48E-04,-3.48E-04,6.97E-04,0,0,0,0,26.90355756,5.21E-15,-6.725889389,-6.725889389,13.45177878,0,0,0,0,50.0283141,1.61E-14,-12.50707852,-12.50707852,25.01415705,0,0,0,0,0.005270222,7.53E-17,-0.001317556,-0.001317556,0.002635111,0,0,0,0,0.223649841,-8.88E-17,-0.05591246,-0.05591246,0.111824921,0,0,0,0,1.214869486,3.58E-15,-0.303717372,-0.303717372,0.607434743,0,0,0,0,0.055555556,-1.94E-17,-0.013888889,-0.013888889,0.027777778,0,0,0,0,1.04E-16,-0.25,-0.25,0.5,0,0,0,0,1.94E-16,-0.25,-0.25,0.5,0,0,0,0,3.22E-16,-0.25,-0.25,0.5,0,0,0,0,1.43E-14,-0.25,-0.25,0.5,0,0,0,0,-3.97E-16,-0.25,-0.25,0.5,0,0,0,0,2.95E-15,-0.25,-0.25,0.5,0,0,0,0,-3.50E-16,-0.25,-0.25,0.5,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,1.4,1.4,1.05,0,0,0,0,0,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,12,6,8.618033989,12,2.4,6.006204681,1.78E-15,0,0,0,13.96759521,2.793519041,1.318370009,0,11.9,12.10006119,-0.152797442,0.047263744,6.091,6.291061186,5,15,15,15,5,0,0,0,0,0,10.93207,3.573186822,2.459820995,2.459820995,1.19006016,1.19006016,0.083923071,0.083923071,0.083923071,1.724171079,1.724171079,0.757863935,0.757863935,0.489263751,0.083923071,0.083923071,0.083923071,3.600648477,2.510897621,2.510897621,1.30885592,1.30885592,0.270913902,0.270913902,0.270913902,1.655976007,1.655976007,0.62194973,0.62194973,0.329734575,0.270913902,0.270913902,0.270913902,3.72034929,2.734801489,2.734801489,1.778468089,1.778468089,0.943918427,0.943918427,0.943918427,1.452583651,1.452583651,0.172849073,0.172849073,0.223569137,0.943918427,0.943918427,0.943918427,3.620820476,2.548571849,2.548571849,1.39352899,1.39352899,0.399277246,0.399277246,0.399277246,1.612285733,1.612285733,0.531260614,0.531260614,0.22154323,0.399277246,0.399277246,0.399277246,3.778078745,2.841861735,2.841861735,1.978039144,1.978039144,1.207644823,1.207644823,1.207644823,1.38842831,1.38842831,0.016182923,0.016182923,0.429566078,1.207644823,1.207644823,1.207644823,3.666666667,2.634421018,2.634421018,1.577575475,1.577575475,0.666666667,0.666666667,0.666666667,1.528942797,1.528942797,0.349720363,0.349720363,0,0.666666667,0.666666667,0.666666667,0,0,0,0,0,0,5,0,0,0,0,0.176776695,0,0,0,0,0.176776695,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.535533906,2.5,1.767766953,1.25,0.883883476,0,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0,0,0,3.535533906,2.5,1.767766953,1.25,0.883883476,0,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0,0,0,7.709139019,14.43918427,13.62745098,13.8,8.992772455,115.1412754,0.513942601,0.962612285,0.908496732,0.92,0.599518164,7.67608503,1.9505,23.085,14,18.61803399,28,5.6,14.000001,1.11E-16,2.22E-17,-18.36840028,19.22543377,3.845086753,1.478117039,20,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,7.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.5,1.5,0.2,1.5,0.2,1.5,3.615,0,0,0,0,0,0,2.5,0.5,0,0,0.43333,0.7,0.43333,0.43333,0.7,0,0,0,0,0.71429,0,0,0,0,0,2.5,0.5,2.5,0.5,0,0,-2.5,-0.5,0,0,3.75,0.75,3.75,0,0,2.5,0.5,2.5,0,0,-0.086,-0.0172,0,0,0.333333333,5,0,0,0,0,0,0,1,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,0.918295834,13.77443751,13.77443751,13.77443751,13.77443751,13.77443751,13.77443751,0.235045188,0.235045188,0.235045188,0.235045188,0.235045188,0.235045188,2.988594762,2.988594762,2.988594762,2.988594762,2.988594762,2.988594762,0.235045188,0.235045188,0.235045188,0.235045188,0.235045188,0.235045188,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,6.73287657,19.74937501,19.74937501,19.74937501,19.74937501,19.74937501,19.74937501,3.2,1.44,0.64,0,0,0,2.01,0.7045,0,0,0,0,7.071067812,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.071,0.064,0.277,0.248,2.625,5,5,5,0,0,0,0,0,0,25,1.791759469,1.791759469,1.791759469,1.791759469,0,0,0,0,0,0,3.258096538,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,8.618033989,12,2.4,6.006204681,0,0,0,13.96759521,2.793519041,1.318370009,0,82.67992313,3.321928095,3.044522438,3.713572067,4.394449155,5.081404365,5.771441123,6.463029457,7.155396302,7.848153086,8.541105011,62.013073,2.397895273,0,3.433987204,2.397895273,4.615120517,4.262679877,5.860786223,5.888877958,7.147559271,7.6989362,70.07825032,4.671883355,9.6875,1.9375,0,0,0,15,0,2.845,20,1.380498507,2.484266497,3.279932063,4.048814736,0,0,0,0,0,0,101.0958852,89.89445501,22.7176085,4.113854896,0,0,0,0,0,0,355.5494789,407.3068427,248.1617826,125.8523225,0,0,0,0,0,0,10.09589115,17.76333594,22.73377477,27.20181605,0,0,0,0,0,0,2.606958365,3.364602219,2.627464214,1.800155281,0,0,0,0,0,0,194.5749375,377.4425534,550.9455779,748.6973145,0,0,0,0,0,0,2.549621641,3.933472861,4.153836385,4.048814736,0,0,0,0,0,0,0.53723541,0.708711425,0.576363513,0.414598629,0,0,0,0,0,0,251.4392006,66.37673319,6.637673319,48.99699897,-12.93458108,-2.586916217,202.4422017,79.31131428,9.224589536,0.836913797,0.220934539,0.022093454,0.163086203,-0.043052672,-0.008610534,75.54143787,19.94197346,1.994197346,14.72047216,-3.886016384,-0.777203277,0.1,0.2,2.48873043,1.018936307,300.4361996,0,1,0,216.1789932,14.70302667,6.001656887,313.0493541,17.69320079,6.790018184,307.0246732,17.52211954,6.74617743,1.332033716,1.328393467,185.6462196,125.2829221,90.98938609,1.481815849,2.040306321,1.376896004,3.393045837,3.649051612,5.316433721,0.456935743,2.789005534,1.595883903,1.493127232,7.63514318,8.374240208,9.286193548,3.940990778,2.489683679,0.639207697,0.034401405,5.09E-21,1.45E-61,8.01E-124,8.51E-208,1.74427113153E-313,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234061908,1.595673376,0.710359182,2.273149056,0.368275307,1.229888338,0.098832744,0.058791918,0.004501992,2.42E-04,3.59E-23,1.02E-63,5.64E-126,6.00E-210,1.22850442E-315,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.755580372,1.595687837,0.845719232,3.105905253,1.144690634,2.080408281,0.471854478,0.28872558,0.046914228,0.002524868,3.74E-22,1.07E-62,5.88E-125,6.25E-209,1.2801963237E-314,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.632593716,1.595860928,1.436567888,7.214290405,7.580669175,8.512121333,3.560291888,2.246671137,0.56952255,0.030651032,4.54E-21,1.30E-61,7.14E-124,7.58E-208,1.5541141751E-313,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.113586447,1.59570623,0.945890347,3.755282631,1.932365913,2.900001878,0.850029248,0.525626878,0.101903973,0.005484352,8.12E-22,2.32E-62,1.28E-124,1.36E-208,2.7807574837E-314,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368128095,1.59598042,1.712349782,9.298506628,11.65702306,12.47114245,5.515734397,3.496401189,0.932224353,0.050171216,7.43E-21,2.12E-61,1.17E-123,1.24E-207,2.54385551597E-313,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.859337023,1.595766675,1.173507762,5.311140406,4.23894235,5.223522694,1.956997273,1.225779399,0.28409231,0.015289513,2.26E-21,6.47E-62,3.56E-124,3.78E-208,7.75231614E-314,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.168440624,1.616749416,0.679760138,0.485658414,0.362097975,0.436060584,0.407952779,0.458130378,4.464950179,6.078846418,12.92691676,0.271634584,1.302143741,1.569985278,1.08064732,0.218458841,0.547206428,0.376651405,0.228852413,0.1821441,0.046783153,2.869091439,2.275654509,5.515383302,0.385786749,0.457779666,1.807641563,1.293555632,0.401717536,0.516039271,0.369279795,0.303219962,0.261047213,0.15897384,3.502914731,3.58409022,8.02633501,0.327978598,0.723241014,2.15362163,1.603475674,0.668343909,0.486645631,0.362331256,0.430130979,0.401274563,0.442764086,4.425441213,5.964312992,12.69773279,0.27346533,1.274169628,1.913588372,1.388463751,0.483383737,0.505513353,0.366790986,0.339734522,0.300792682,0.230643131,3.78543586,4.253106383,9.322867738,0.308456508,0.871170335,2.214835801,1.658306378,0.715500024,0.482677817,0.361393699,0.454887229,0.429218021,0.507951058,4.588642203,6.444109656,13.66069496,0.266107273,1.392056308,2.15753944,1.606984959,0.671362133,0.486382919,0.362269176,0.43169469,0.403034764,0.446800856,4.435886533,5.994492562,12.75808119,0.272978143,1.281530309 +UMLYSI0257,L,2-heptanol,CCCCCC(C)O,saturated alcohols,C7H16O,543-49-7,10976,PubChem,,39.4,0,-1.5601,2.43391201,29.4063,23.790688,0,0,24,8,16,0,7,0,1,0,0,0,0,0,0,0,1282.073872,1255.482027,1434.613415,1152.703993,902.571648,702.766727,506.009998,144.307296,12.192768,3678.349,4646.893789,5984.309997,5791.817305,4641.827663,3541.778085,2534.97974,1391.118395,373.0049332,173.630752,171.512628,312.366956,412.50046,361.113672,278.07338,215.18848,152.140032,80.621568,27.27931048,35.31067264,49.44268478,51.45100878,42.82392198,32.46855441,23.44702555,14.28985608,5.335354858,4031.694211,3396.131957,6803.082927,9546.284382,8653.077414,6619.369302,5140.414147,3661.504836,2219.011824,70.77777778,53.75,87.5,109.9166667,84.66666667,69.33333333,60,43,12,53.41974467,54.58617509,33.36310267,20.22287707,17.69748329,18.01965967,16.86699993,6.871776,1.016064,153.2645417,202.0388604,139.1699999,101.6108299,91.01622868,90.81482268,84.49932466,66.24373311,31.08374443,7.234614667,7.457070783,7.264347814,7.236850175,7.080660235,7.130086667,7.172949333,7.244763429,6.718464,1.136637937,1.535246636,1.149829879,0.902649277,0.839684745,0.832527036,0.781567518,0.680469337,0.444612905,167.9872588,147.6579112,158.2112309,167.4786734,169.6681846,169.727418,171.3471382,174.3573732,184.917652,2.949074074,2.336956522,2.034883721,1.928362573,1.660130719,1.777777778,2,2.047619048,1,0.229170881,-0.110045817,0.006261261,-0.032003201,0.017766698,0.001480206,0.011498877,-0.029337247,0.019793783,719.4334713,-66.68627803,-165.9667625,-207.7034978,50.74548875,6.402152417,6.153650167,-159.0408251,176.3793363,1116.273633,-77.08945916,-398.4110344,-217.3086559,51.7704264,-16.6510243,-17.18928484,-154.7905449,271.5327607,1.103039333,-0.085166694,-0.004600806,-0.29598175,0.01280475,-0.023929583,-0.036811833,-0.213242083,0.095408333,4.928582618,-0.238116022,-2.063061967,-0.584913787,0.090310259,-0.188295529,-0.200067779,-0.347480638,1.067334154,27.13388615,-1.139693072,-11.69347632,-2.616098628,0.241443735,-1.237276296,-1.324135437,-1.365150609,5.567443554,24.48148148,-3.734567901,1.929012346,-6.518518519,-0.287037037,-1.268518519,1.203703704,-5.37962963,1.814814815,0.009548787,-0.004784601,1.46E-04,-5.61E-04,3.48E-04,3.80E-05,3.83E-04,-0.001397012,0.001649482,29.97639464,-2.899403393,-3.859692151,-3.643921013,0.995009583,0.164157754,0.205121672,-7.573372623,14.69827803,46.51140137,-3.351715616,-9.265372894,-3.812432559,1.0151064,-0.426949341,-0.572976161,-7.370978328,22.62773006,0.045959972,-0.0037029,-1.07E-04,-0.005192662,2.51E-04,-6.14E-04,-0.001227061,-0.010154385,0.007950694,0.205357609,-0.010352871,-0.047978185,-0.010261645,0.001770789,-0.00482809,-0.006668926,-0.016546697,0.088944513,1.130578589,-0.049551873,-0.27194131,-0.045896467,0.004734191,-0.031725033,-0.044137848,-0.065007172,0.463953629,1.020061728,-0.162372517,0.044860752,-0.114359974,-0.005628177,-0.032526116,0.040123457,-0.25617284,0.151234568,-0.501068974,0.015249132,-0.058799058,0.036482815,0.003974747,0.040140794,-0.146302539,0.172742566,-0.096722886,-0.128757717,-0.121559682,0.033193104,0.005476234,0.006842773,-0.252644546,0.490328414,-0.072062237,-0.199206487,-0.081967699,0.021824894,-0.009179456,-0.012319047,-0.158476806,0.486498566,-0.080567929,-0.002328014,-0.112982276,0.005462874,-0.013350292,-0.026698474,-0.220939753,0.172991716,-0.050413864,-0.233632372,-0.049969638,0.008622955,-0.023510648,-0.032474696,-0.080575038,0.433120123,-0.043828773,-0.240532867,-0.040595557,0.004187405,-0.028060883,-0.039040053,-0.05749903,0.410368314,-0.159179109,0.043978468,-0.112110837,-0.005517487,-0.031886419,0.039334342,-0.251134644,0.148260212,1.433090996,0.729790073,1.115349671,0.798960423,0.881831639,1.081056531,1.678099585,0.439400001,1.429336028,1.220490985,1.100447673,0.828875328,0.885430207,0.89303048,1.158252736,0,1.565389987,1.384925378,1.017492111,0.859245736,0.885752868,0.842239706,0.895909673,0,1.046221984,0.817007446,1.282027862,0.716931041,0.912165533,1.152847617,1.762219937,0,1.609800468,1.448059909,0.982150463,0.86496118,0.890249953,0.844215872,0.788866297,0,1.613537024,1.456685774,0.976282217,0.863971483,0.892166772,0.850882086,0.77236007,0,1.135779123,0.758628575,1.27737081,0.718430186,0.929448388,1.10128593,1.834233845,0,39.84143491,20.04571745,31.95847775,40.02893491,5.003616863,20.04571746,0.25,0.094803603,0.01185045,-1.88475829,34.64912499,4.331140624,2.836217978,39.84468336,20.04697447,31.96001955,40.03163254,5.003954068,20.04697448,0.249265579,0.09474307,0.011842884,-1.885269265,34.64576099,4.330720124,2.836140304,42.78256299,21.19178426,33.40742295,42.48331714,5.310414642,21.19178426,-0.398994478,0.03612931,0.004516164,-2.656520662,32.5662421,4.070780263,2.786620987,39.84809285,20.04829383,31.96163791,40.03446395,5.004307994,20.04829383,0.2484948,0.094679527,0.011834941,-1.885805994,34.64223307,4.330279134,2.836058837,46.00040107,22.4590534,35.13976182,45.18868037,5.648585046,22.4590534,-1.082294264,0.039129151,0.004891144,-2.592710031,32.44463518,4.055579398,2.783628083,40.18251117,20.17782268,32.1210202,40.3123618,5.039045226,20.17782268,0.173134186,0.088403174,0.011050397,-1.940677926,34.31010941,4.288763676,2.828352037,43.44639001,22.01287754,35.82000835,43.88091382,5.485114227,22.01287754,0.579365079,0.101396592,0.012674574,-1.830972635,32.77373847,4.096717308,2.791702031,0,11.99632008,15.99794276,-0.418491072,0.077594911,4.537045478,7.130911291,7,23,23,23,7,0,0,0,0,0,17.491312,3.498589235,3.216508128,2.733538365,2.205462336,2.044505812,1.567016061,1.194652795,0.894793412,1.893949693,1.689527934,1.412580467,1.088534245,0.803590238,0.638296096,0.533890314,0.291283621,3.506681103,3.219413967,2.766579092,2.257893913,1.912855267,1.600621104,1.29880372,0.966440423,1.842210541,1.634775292,1.322830852,0.980536954,0.756033463,0.56248322,0.390017655,0.158290291,3.644479138,3.395754619,2.991923377,2.559811224,2.361602919,2.038104791,1.777955422,1.515355595,1.653652162,1.398831052,1.023043173,0.603191546,0.269838042,0.043988394,0.149625845,0.439941635,3.523096581,3.236829773,2.799505679,2.306363739,1.920733424,1.635248664,1.376876967,1.032341183,1.810560474,1.599844602,1.265225139,0.912279242,0.736759225,0.485307482,0.288047096,0.058515263,3.699427642,3.461276341,3.089932996,2.687682262,2.452827813,2.197438504,1.975122836,1.718850967,1.599898682,1.334503839,0.928662594,0.477826579,0.155109869,0.102802477,0.341619881,0.6395645,4.377520548,3.47066089,3.126347148,2.878497942,2.403715175,1.879408507,1.539650547,1.303513429,1.758129223,1.45844923,1.102092699,0.745108176,0.404852708,0.16396473,0.046702581,0.347043984,0,0,0,0,0,2,5,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.182574186,0,0,0,0.288675135,0.204124145,0.144337567,0.129099445,0.091287093,0.064549722,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,5.852990989,3.450904231,2.344803282,1.225452115,0.689748805,0.353224857,0.20888729,0,0.731623874,0.492986319,0.334971897,0.245090423,0.172437201,0.117741619,0.104443645,0,12.04942153,23.43335761,22.15294118,22.48,13.86867545,185.6378671,0.502059231,0.9763899,0.923039216,0.936666667,0.577861477,7.734911128,1.9475,35.8228,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.577091837,0,8.778993764,0,0,0,0,0,0,0,0,0,0,0.577091837,0,0,0,0,0,0,0,0,0,0,0,0,0,2.022908163,0,0,0,0,0,0,0,0,0,0,0,4.011608088,0,4.638518519,0,0,0,-0.095787037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.778993764,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.577091837,0,8.778993764,0,0,0,0,0,0,0,0,0,0,0.577091837,0,0,0,0,0,0,0,0,0,0,0,0,0,0.220408163,0,0,0,0,0,0,0,0,0,0,0,1.842916667,0,0.966111111,0,0,0,-0.095787037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.778993764,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.577091837,0,8.778993764,0,0,0,0,0,0,0,0,0,0,0.577091837,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.168691421,0,1.254861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.778993764,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.33333333,2.166666667,0.577091837,8.778993764,0.220408163,-0.095787037,3.928071129,1.42912037,2.778993764,5.89537037,1.42912037,2.778993764,5.89537037,3.83333,0.47917,0,0.02083,0.46528,0.79583,0.42308,0.46528,0.74074,0.0422,0,-0.0422,0.05509,0.60209,0.1122,0,0.34783,0.13043,0,3.75,0.46875,3.75,0.46875,0,0,-3.75,-0.46875,0,0,7.54852,0.94357,8.40872,0.8602,0.10753,3.47593,0.43449,3.77005,0.29412,0.03676,0.14395,0.01799,0.14395,0.01799,0,7.01,1,1,1,1,1,1,1,1.099483982,1.726489212,2.855388542,3.490601563,3.006866543,2.443562592,26.38761556,41.43574108,68.52932501,83.77443751,72.16479704,58.64550221,0.239802175,0.376554707,0.622772496,0.761315182,0.655810498,0.532951489,3.485478519,2.858473289,1.729573959,1.094360938,1.578095958,2.141399909,0.243057129,0.381665871,0.631225696,0.77164889,0.664712139,0.540185503,9.670323248,14.72268506,19.52447638,18.90290141,15.27585431,15.74772307,29.54361368,23.14733818,18.45313334,18.41365938,24.07328847,18.77762184,8,5.142857143,7.2,8,0,7,2.12,1.1536,0.166666667,2.955737938,0.894427191,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,3.889,7,5,4,3,2,0,0,0,0,36,2.079441542,2.079441542,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,7,1,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,20.23,138.4185778,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,116.1201151,4.83833813,14.66595917,1.833244896,2.373458674,2.373458674,0,79,5,2.449,28,1.225086957,2.123823134,2.850795127,3.519735878,4.754001462,5.735449387,6.88355164,7.683634214,0,0,78.47908308,79.48959558,67.31032212,79.14148305,100.2180495,112.0316474,49.85563579,7.807064114,0,0,273.3612548,316.86494,314.5962999,373.3247438,475.636664,531.1071308,474.6600895,238.8361222,0,0,9.161889003,15.50788554,20.6946253,25.04944165,34.03008344,41.26316448,49.98230452,51.62221986,0,0,2.019873764,2.562972757,2.715614296,3.300874588,4.235157498,4.785735813,4.830351974,3.416242928,0,0,178.4547259,332.6487495,474.3866184,585.3705239,797.9615813,971.5402317,1193.286541,1420.839598,0,0,2.913938406,4.508738305,5.622688513,6.09278746,8.72797306,11.88694359,14.35920939,7.683634214,0,0,0.435339417,0.569659895,0.615087481,0.736602321,0.961660718,1.112888602,1.152179108,0.786804144,0,0,402.5430987,275.5143753,15.62577365,171.7149057,-117.5276017,-19.95271133,230.828193,393.041977,35.57848498,0.700979517,0.479774549,0.027210372,0.299020483,-0.204659928,-0.034745204,231.1635965,158.2163353,8.973225593,98.60865905,-67.49116601,-11.45800419,0.306976532,0.573835122,7.796010219,16.930491,519.3577891,54.90021519,0.904397997,0.095602003,470.1693138,21.68338797,7.77591361,633.5057871,25.16954086,8.588490946,765.8231186,27.67350933,9.149053297,2.368932637,2.368932637,801.4265928,755.911074,82.62849094,1.060212795,9.699155627,9.148310291,4.465912563,4.466158665,8.836778877,0.978608361,4.897845711,6.073884414,3.578652989,21.69334228,10.90295076,1.478165729,3.616736608,10.66597618,8.754182328,1.400443951,3.342620773,6.778333073,4.517670553,0.8638348,2.474850258,0.241081057,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.430947302,6.200672024,0.270894005,6.212096583,0.359351128,0.023329018,0.51346368,0.463435293,3.252089663,0.071263761,0.045817187,1.36380309,0.247205476,0.859961767,0.112752628,0.00169802,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.271701343,5.96445379,0.802607169,7.097466537,1.128888335,0.125122594,1.118698928,1.700907149,3.953669532,0.22594329,0.30123848,1.583539951,0.747017629,0.860389238,0.426540802,0.017694156,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,4.846124884,6.20041024,3.537293355,20.71241952,9.969236045,1.358259929,3.417495571,9.911794719,8.679922287,1.358023394,2.993085738,6.637943919,4.44489267,0.864708475,2.270681911,0.214798927,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,1.807352978,5.874704134,1.15648727,8.29046271,2.035549286,0.243264618,1.542586778,2.758772829,4.465253574,0.346422522,0.600549482,1.993610486,1.119354257,0.860476298,0.691937989,0.038433908,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,6.095488213,6.154159076,4.628525693,28.75622331,15.61504494,2.151802145,4.36749408,14.46650322,10.7818332,1.921988017,4.804501979,9.017318352,6.204575432,0.865653219,3.298422411,0.351593848,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,4.330461811,6.384605223,2.966663055,16.27546624,5.683450888,0.777963655,2.250798461,5.83297096,8.18154384,1.068948503,1.37632694,7.523384276,3.739337305,1.320317708,1.417125076,0.091969833,0.053152368,6.02E-20,1.31E-59,5.54E-121,4.50E-204,0.00E+00,0,0,0,0,0,0,0,0,7.295985329,0.840488837,0.568745891,0.838116128,0.096549982,0.553136189,0.488991149,0.46640859,8.705220057,10.75978047,22.9526608,0.757174192,1.508535928,6.427731575,0.573824763,0.159744555,0.897564796,0.080128565,0.434636809,0.205749164,0.032791783,7.161300893,4.806852047,12.55735341,0.846347194,0.673177756,6.780832785,0.612398951,0.327813236,0.87822734,0.079315553,0.478256376,0.260446841,0.154583356,7.721044972,6.576174103,15.65848808,0.817341009,0.893286573,7.257149291,0.854900964,0.553438613,0.837477193,0.098655826,0.547623614,0.496147133,0.426475191,8.665488868,10.69366576,22.79276744,0.756215789,1.470245938,6.952382414,0.646689023,0.402717762,0.868853483,0.080818053,0.502177431,0.3016808,0.246071444,8.001789199,7.556310434,17.36873053,0.803280224,1.049929675,7.3544719,0.876094282,0.597077591,0.833118337,0.099244408,0.562078406,0.527381615,0.508317042,8.827643773,11.35749741,24.03223796,0.749677505,1.597777063,7.285614645,0.856473507,0.554749387,0.837731487,0.098481029,0.551918678,0.497745988,0.428236777,8.696837539,10.75675434,22.91519251,0.756597231,1.477901443 +UMLYSI0258,L,methyl-5-hexenoate,C=CCCCC(=O)OC,unsaturated esters,C7H12O2,2396-80-7,520082,PubChem,,39.2,0,0.7211,0.51998521,34.0482,21.925516,0,0,21,9,12,0,7,0,2,0,0,0,0,0,0,0,1533.977617,1443.097628,1610.823416,1423.962595,1109.669157,870.627836,655.756339,263.296825,63.583632,3770.404799,4402.612411,5238.847255,5139.101431,4367.255197,3300.918427,2306.996926,1397.020356,666.9343151,160.108612,153.215816,260.446928,292.652068,275.81898,224.83136,163.558684,114.2065,55.743552,26.14406286,31.32505172,39.79968725,40.46475576,34.82450529,26.8663499,18.77805519,12.04982661,6.901560265,3477.474889,2931.472338,5426.046881,6376.917104,5976.25185,5051.249777,3724.883921,2589.527566,1320.365695,99.77777778,63.5,101.1666667,104.5833333,104.9166667,81.16666667,67.83333333,41,16,73.04655319,72.1548814,47.37715929,36.51186141,30.82414325,29.02092787,29.80710632,17.55312167,7.947954,179.5430857,220.1306206,154.0837428,131.7718316,121.3126444,110.0306142,104.8634966,93.13469042,83.36678939,7.624219619,7.6607908,7.660203765,7.503899179,7.661638333,7.494378667,7.434485636,7.613766667,6.967944,1.244955374,1.566252586,1.170579037,1.03755784,0.967347369,0.895544997,0.853547963,0.803321774,0.862695033,165.5940423,146.5736169,159.5896141,163.510695,166.0069958,168.3749926,169.3129055,172.6351711,165.0457118,4.751322751,3.175,2.975490196,2.681623932,2.914351852,2.705555556,3.083333333,2.733333333,2,0.289192121,-0.156584686,0.026447852,0.017171237,-0.059142471,0.017638998,0.064531697,-0.069200745,-0.002511692,751.701177,-11.34037805,-61.80842464,-56.77952977,-293.1275615,-4.429585551,99.89324386,-131.4166684,-72.6191267,1018.843734,-137.0120425,-186.8276973,-97.87597636,-230.2763707,27.2370648,74.07246361,-0.887311426,-164.692763,1.933471238,0.001381297,0.573000281,-0.275285442,-0.73874917,-0.275281959,-0.043723773,-0.416156027,0.068585243,4.548872301,-0.99958663,-0.661503655,-0.599161168,-0.454979151,0.046200769,-0.089172476,0.537291028,-0.777141885,25.57408015,-6.115137727,-2.998359866,-3.670925312,-1.78539643,-0.017579438,-1.261510877,3.688175235,-4.253470671,39.2010582,-1.093600403,7.039556563,-5.409108088,-19.67403628,-3.551776266,9.292013102,-7.445200302,-1.685059209,0.013771053,-0.007829234,7.78E-04,4.40E-04,-0.001642846,5.88E-04,0.002933259,-0.004613383,-3.14E-04,35.79529414,-0.567018902,-1.817894842,-1.455885379,-8.142432265,-0.147652852,4.540601994,-8.761111226,-9.077390837,48.51636829,-6.850602125,-5.494932272,-2.509640419,-6.396565853,0.90790216,3.366930164,-0.059154095,-20.58659538,0.092070059,6.91E-05,0.016852949,-0.007058601,-0.02052081,-0.009176065,-0.001987444,-0.027743735,0.008573155,0.216612967,-0.049979331,-0.01945599,-0.015363107,-0.01263831,0.001540026,-0.004053294,0.035819402,-0.097142736,1.21781334,-0.305756886,-0.088187055,-0.09412629,-0.049594345,-5.86E-04,-0.057341403,0.245878349,-0.531683834,1.866717057,-0.05468002,0.207045781,-0.138695079,-0.546501008,-0.118392542,0.422364232,-0.496346687,-0.210632401,-0.568528353,0.056486455,0.031972001,-0.119297077,0.042695834,0.213001787,-0.335005819,-0.022798651,-0.015840599,-0.050785861,-0.040672536,-0.227472143,-0.004124924,0.126849132,-0.24475595,-0.253591738,-0.141201874,-0.113259349,-0.051727706,-0.13184346,0.018713317,0.069397819,-0.001219261,-0.424322679,7.50E-04,0.183044843,-0.076665543,-0.222882558,-0.099663945,-0.021586217,-0.30133287,0.093115562,-0.230731023,-0.089819138,-0.070924225,-0.058345121,0.007109573,-0.01871215,0.1653613,-0.448462237,-0.251070403,-0.072414262,-0.077291229,-0.040724094,-4.81E-04,-0.047085544,0.201901507,-0.436588939,-0.029292077,0.110914389,-0.07429893,-0.292760494,-0.063422864,0.226260445,-0.265892833,-0.11283574,1.550172436,1.035737022,0.983443474,1.151138379,0.871083535,0.711208416,1.311427432,0.316964093,0.998072496,1.034146342,0.983645407,1.219398184,0.949574453,0.803468763,1.22671473,1.006600202,1.376499109,1.131986138,1.016530332,1.037344762,0.868291651,0.808261947,0.807646716,1.381022709,0.71322085,0.82325507,0.976617871,1.418844196,1.102932362,0.956975939,1.588245331,0.076662635,1.575925028,1.142136943,1.039208496,0.960235214,0.853267492,0.858192706,0.600708718,1.382793661,1.608658199,1.133842476,1.044217279,0.952108088,0.857491053,0.877790886,0.570087327,1.336048222,0.622857336,0.592929505,1.049814674,1.727206776,1.066911864,0.720514976,1.522067755,0.44641652,43.40742809,21.95371404,35.49035149,43.79631698,4.866257442,21.95371404,0.5,0.133360647,0.01481785,-1.813228368,35.37869019,3.930965576,3.2094987,43.41763839,21.95808477,35.49579318,43.80538484,4.867264983,21.95808477,0.498531158,0.13315768,0.014795298,-1.81459916,35.38164777,3.931294197,3.209573935,52.65769261,25.92985183,40.67174648,52.03703453,5.781892726,25.92985183,-0.797988956,0.047480005,0.005275556,-2.742701943,47.86512277,5.318346974,3.481548402,43.42835492,21.96267226,35.5015053,43.81490239,4.868322488,21.96267226,0.4969896,0.132944659,0.014771629,-1.816040102,35.38476445,3.931640495,3.20965321,62.73342264,30.28441705,46.91996734,61.04985378,6.783317087,30.28441705,-2.164588529,0.229074784,0.025452754,-1.326336086,47.52465166,5.280516851,3.475123703,44.47983399,22.41305118,36.06511703,44.74915384,4.972128204,22.41305118,0.346268372,0.112087211,0.012454135,-1.969630239,35.75514924,3.972794359,3.219024864,54.737329,27.56652912,46.52612418,55.17925392,6.131028213,27.56652912,0.795464853,0.195272364,0.021696929,-1.470023959,32.51069213,3.612299125,3.133412121,0,11.99632006,15.9982593,-0.349589365,0.261225874,4.007369343,7.138583906,8,20,18,18,6,2,2,0,0,2,15.992484,3.555293312,3.298983733,2.82233827,2.525721826,1.949423637,1.336522812,1.086379158,0.912861865,1.848572637,1.553487794,1.398401209,1.079230586,0.68741966,0.4035568,0.349259557,0.083923071,3.513019059,3.220739621,2.793499653,2.482252623,1.931495675,1.40848142,1.040375409,0.634216699,1.811772534,1.559997521,1.335779413,1.027879609,0.646156449,0.398907336,0.188505677,0.270913902,3.654441265,3.40694617,3.039309036,2.7443425,2.273474497,1.852768242,1.54171699,1.255949891,1.634730575,1.328847378,1.019990994,0.710915433,0.230599551,0.111405572,0.369565894,0.943918427,3.520299136,3.205459813,2.799518745,2.494490039,1.945112434,1.469011047,1.131119363,0.465144215,1.796456627,1.565221286,1.292699076,0.99986626,0.615900943,0.324618089,0.079249996,0.399277246,3.689283118,3.431364382,3.118162429,2.815410605,2.376306982,2.026640178,1.752710173,1.209058028,1.591831281,1.299126618,0.942596912,0.635071199,0.135649071,0.273677516,0.576302754,1.207644823,4.524555354,3.572398884,3.141802267,2.973146344,2.260070775,1.763993539,1.548656122,1.252698937,1.790277045,1.321193506,1.117262716,0.78873664,0.363937048,0.050255461,0.06598117,0.53164557,0,0,2,1,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.49279928,0.348461713,0.24639964,0.100592232,0.071129449,0.046473128,7.112884175,4.308060412,3.009201922,1.997400241,0.946923425,0.535074775,0.348461713,0.102062073,0.790320464,0.538507552,0.37615024,0.285342892,0.189384685,0.133768694,0.116153904,0.102062073,5.722273975,2.986546552,1.757036273,1.016820032,0.49279928,0.227670901,0.100592232,0.029462783,0.635808219,0.373318319,0.219629534,0.145260005,0.098559856,0.056917725,0.033530744,0.029462783,11.68056503,20.98834669,20.05098039,20.36,12.75180599,161.2212671,0.556217382,0.99944508,0.95480859,0.96952381,0.607228857,7.677203194,1.44189,35.794,25.41191019,39.68761279,50.82382038,5.647091153,25.41191019,0.089797579,0.009977509,-2.16917754,37.38194553,4.153549503,3.259069063,85,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,3,2,0,2,0,0,0,0,0,0,0,0,1,1,3,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.85364229,5.184019747,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.428405258,0.387606293,0,0,1.345833333,0.934027778,0,0.81601155,0,0,0,0,0,0,0,0,1.399050926,3.531241969,2.229953704,0,1.794583333,0,0,0,0,-0.141805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.43010488,4.423537415,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.423537415,-0.141805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.428405258,0.387606293,0,0,0.395902778,0.395902778,0,0.387606293,0,0,0,0,0,0,0,0,1.399050926,3.531241969,0.5025,0,1.794583333,0,0,0,0,-0.141805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.43010488,4.423537415,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.43010488,3.531241969,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.428405258,0.387606293,0,0,0.538125,0.538125,0,0.428405258,0,0,0,0,0,0,0,0,1.399050926,3.531241969,0.884027778,0,1.794583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.43010488,4.423537415,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.66666667,2.62962963,0.578897392,10.43010488,0.340527211,-0.141805556,3.324640548,1.808472222,3.430104875,9.769768519,1.808472222,3.430104875,9.769768519,4.16666,0.46296,0,0.03704,0.54444,0.87037,0.42414,0.52319,0.87037,0.12031,0.02126,-0.09905,0,0.53191,0.18238,0,0.32,0.12,0,7.25,0.80556,4.75,0.52778,2.5,0.27778,-2.25,-0.25,0,0,5.67996,0.63111,9.9223,4.24233,0.47137,2.61805,0.29089,4.30805,1.69001,0.18778,0.10595,0.01177,0.10595,0.01177,0,8.02,2,2,2,2,0,0,0.571428571,1.312744353,2.712116827,3.594465637,3.784941827,3.689703732,3.784941827,27.56763142,56.95445336,75.48377838,79.48377838,77.48377838,79.48377838,0.298872833,0.617468312,0.818352885,0.861718647,0.840035766,0.861718647,3.07957307,1.680200596,0.797851786,0.607375595,0.702613691,0.607375595,0.294374814,0.608175449,0.80603672,0.84874983,0.827393275,0.84874983,11.97240834,24.04951117,25.9856382,26.17760487,25.03474773,26.17760487,32.89486864,19.41629524,16.65850192,16.12809529,17.49513381,16.12809529,9,6.125,5.87755102,9,3,6,2.01,1.1263,0.142857143,2.576474029,0.632455532,0,3.965406457,1.807204007,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.447,0.442,0.598,0.207,3.75,8,7,5,4,3,1,0,0,0,45,2.397895273,2.48490665,2.397895273,2.079441542,1.945910149,2.079441542,1.098612289,0,0,0,4.143134726,1.377777778,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.625,6,0.75,0,4,7,0.75,1.5,0.666666667,0.25,0.16,0.111111111,0.040816327,0,0,0,0,0.1875,0.083333333,0.035714286,0.032,0.027777778,0.013605442,0,0,0,0,0.379930839,25.41191019,39.68761279,50.82382038,5.647091153,25.41191019,0.089797579,0.009977509,-2.16917754,37.38194553,4.153549503,3.259069063,26.3,141.9358871,4.169925001,3.496507561,4.143134726,4.828313737,5.501258211,6.196444128,6.876264612,7.5750717,8.257126286,8.957381736,72.8315027,2.833213344,0,3.891820298,0,5.117993812,0,6.411818268,0,7.739359203,8.053251154,128.0837296,6.09922522,16.65751855,1.850835395,5.120782991,5.120782991,0,110,7,1.835,32,1.23285,2.135850705,2.902432165,3.661750867,4.899203206,5.921963821,7.145376171,8.31778106,9.334441551,0,99.29487154,110.8592918,118.3108811,135.9223799,161.8715275,200.4392195,139.0833105,69.79907441,9.48439002,0,292.6417096,350.3850812,411.9084446,503.6144397,586.250941,675.6930102,707.2594966,721.2561228,290.1493956,0,9.50687525,16.45245559,21.82347693,28.05936239,36.90068331,44.27022566,54.65062759,58.0906268,62.71310952,0,2.036365331,2.617321276,3.175625956,3.914276284,4.654767966,5.363608425,5.990162232,7.398246775,4.150213173,0,179.0937647,337.6958597,471.3103536,595.4915,816.7956602,991.6140075,1226.381743,1362.236583,1726.103014,0,4.017716667,6.638938644,7.871133971,10.64891554,13.71411819,19.14264823,20.05228078,17.13711745,9.334441551,0,0.462407625,0.61376583,0.745076045,0.935232451,1.126683805,1.321325811,1.462310642,1.612846364,0.955846815,0,315.9068744,269.8759868,15.73155022,193.3657805,-165.1903933,-26.64780052,122.5410939,435.0663801,42.37935074,0.620309909,0.529924362,0.030890232,0.379690091,-0.324365331,-0.052325214,160.8827327,137.4404603,8.011648349,98.47590441,-84.12695015,-13.57099612,0.305748376,0.373352552,1.96153632,6.485920642,455.6961302,53.57652476,0.894797955,0.105202045,668.7161225,25.85954606,8.744747313,785.5974924,28.02851213,9.227131207,1093.111967,33.06224383,10.30120942,2.790424456,2.790424456,993.3167237,937.3774728,69.29779864,1.059676334,14.33402999,13.52680015,4.43601697,5.363411326,9.904886481,0.846751233,3.605019375,4.413758467,5.706221062,15.29967697,7.306379328,2.43570381,5.175498539,8.072671135,4.674626105,0.717726725,3.737007203,1.635472194,3.905619459,0.417259442,0.147187501,0.544972434,2.815200479,0.010881275,0.80936041,8.32E-16,1.65E-52,6.31E-111,4.65E-191,6.61E-293,0,0,0,0,0,0,0.319062523,4.564783987,0.519353899,4.734334776,0.278710196,1.155976552,0.552812955,0.236698751,2.776424856,0.028856643,2.275320153,0.15206603,0.369606955,0.04736732,0.013535899,0.418497503,0.163032797,4.66E-04,0.005700392,5.86E-18,1.16E-54,4.44E-113,3.27E-193,4.66E-295,0,0,0,0,0,0,0.982529238,4.283697373,1.160630801,5.20887566,1.012902987,1.209116103,1.365988352,0.954210316,2.489508289,0.113828085,2.056276393,0.419101922,0.8758537,0.081076795,0.02981285,0.432905503,0.574541411,0.001797806,0.059402475,6.11E-17,1.21E-53,4.63E-112,3.41E-192,4.85E-294,0,0,0,0,0,0,3.407959975,4.564328851,6.365112837,15.10641942,6.877219162,2.616009487,5.164847966,7.420752476,5.227260054,0.655870427,3.914273169,1.543355573,3.953873983,0.523802421,0.165532736,0.533196364,2.606898152,0.009962807,0.721125554,7.41E-16,1.47E-52,5.62E-111,4.14E-191,5.89E-293,0,0,0,0,0,0,1.440480039,4.176890376,1.439856691,5.870277722,1.661755369,1.265972536,1.889853785,1.673262275,2.412139561,0.188679468,2.072031346,0.613608943,1.201724604,0.080224451,0.036541072,0.446182851,0.895585916,0.002948059,0.129030113,1.33E-16,2.63E-53,1.01E-111,7.41E-192,1.05E-293,0,0,0,0,0,0,4.353603587,4.509203192,7.885620979,20.35796699,10.16196177,2.948866088,6.48936843,11.39397682,5.730253541,0.969102644,4.423984492,2.01820707,5.159689975,0.609188008,0.204148456,0.593166185,3.638609981,0.014600805,1.180376093,1.21E-15,2.41E-52,9.20E-111,6.78E-191,9.65E-293,0,0,0,0,0,0,2.041358493,3.750941487,5.246384373,10.72814732,3.664873535,2.464844924,3.786701552,3.188729123,7.155295632,0.246617094,3.343324376,0.839421807,3.322286335,0.413460809,0.116378751,0.75298048,1.848486885,0.004505371,0.228763301,2.35E-16,4.66E-53,1.78E-111,1.31E-191,1.87E-293,0,0,0,0,0,0,8.865260313,0.783655369,0.31559115,0.889683801,0.078644672,0.515176447,0.548756631,0.38094129,9.964506833,9.992421242,22.14943726,0.834525701,1.444874368,7.381383198,0.497027121,0.052121256,0.930755162,0.062672611,0.357172229,0.220931042,0.010390541,7.930531574,4.079380277,12.20113158,0.896132743,0.588493812,8.031742415,0.535438554,0.153713337,0.920976924,0.061397207,0.42281615,0.255656637,0.090371505,8.720894306,5.61739452,14.99933373,0.881465386,0.768844293,8.741973755,0.787207902,0.2980577,0.889565567,0.080104684,0.50097331,0.554120073,0.339788838,9.827239357,9.721996783,21.60039496,0.834348351,1.394882221,8.352757873,0.577354031,0.207513796,0.914105934,0.06318425,0.457279874,0.296999336,0.164703325,9.137625701,6.67561985,16.81398051,0.871158901,0.918982534,8.953292063,0.822697222,0.33472989,0.885524749,0.081368813,0.525475985,0.605072269,0.42854596,10.11071917,10.63816432,23.21445316,0.828287124,1.559094215,8.803889946,0.790190345,0.300763589,0.88974521,0.079858799,0.508151301,0.558864112,0.345986325,9.89484388,9.842298858,21.82947949,0.834617815,1.413001739 +UMLYSI0259,L,methyl octanoate,CCCCCCCC(=O)OC,saturated esters,C9H18O2,111-11-5,8091,PubChem,,38.9,0,-1.3427,1.80284329,36.9943,29.446274,0,0,29,11,18,0,9,0,2,0,0,0,0,0,0,0,1828.602243,1804.268398,2037.609946,1847.786613,1531.461047,1292.419726,1095.662997,898.906268,702.149539,4803.941069,5938.065913,7503.40256,7568.67382,6734.660098,5668.323327,4661.524982,3654.726637,2647.928293,215.500428,211.00264,387.414232,472.967916,442.6979,391.71028,328.82538,265.94048,203.05558,34.38954029,43.58411758,59.84953919,63.40257953,56.87310325,48.91494786,39.893419,30.87189014,21.85036128,4840.569513,4103.796337,8288.571878,10750.57842,9980.077864,9055.075791,7576.120636,6097.165481,4618.210326,103.5277778,71.25,122.4166667,132.8333333,131.0833333,103.8333333,91.58333333,79.41666667,70.5,63.05524976,64.43815707,39.18480665,28.42748635,25.52435078,23.93369863,24.3480666,24.96961856,26.00553848,165.6531403,212.0737826,144.2962031,116.4411357,112.244335,104.9689505,103.5894441,101.5201844,98.07141824,7.431049241,7.535808571,7.450273692,7.276429477,7.378298333,7.253894074,7.307230667,7.387235556,7.520577037,1.185846217,1.556575628,1.150952677,0.9754243,0.947885054,0.905832368,0.886520422,0.857552504,0.80927264,166.9161901,146.5641549,159.395613,165.3935142,166.3346311,167.6865887,168.3582364,169.3657078,171.0448269,3.569923372,2.544642857,2.354166667,2.043589744,2.184722222,1.922839506,2.035185185,2.206018519,2.611111111,0.281554503,-0.153936804,0.027775175,0.014141434,-0.036727169,0.004415363,-0.001049686,0.003473049,0.030378899,965.146585,-16.82133796,-140.4165438,33.89787741,-239.7022423,14.24526497,8.756747015,3.268229061,-2.220288894,1382.579948,-151.471298,-362.085547,-11.64748816,-213.5574149,14.42734776,13.69595771,12.96456767,12.23317762,2.044300966,0.028845964,0.681457303,-0.078834578,-0.503225998,-0.11738635,-0.161110602,-0.204834854,-0.248559106,6.112430335,-1.058310654,-1.454818791,-0.363760959,-0.498201931,-0.061354486,-0.063052983,-0.06475148,-0.066449977,33.99018711,-6.409648323,-7.264447498,-2.571126526,-2.119357132,-0.615549088,-0.642875777,-0.670202467,-0.697529156,39.27394636,0.811170564,10.38522262,0.732725591,-11.35126833,-2.774474832,-3.706698375,-4.555588585,-1.410225922,0.009708776,-0.005497743,5.34E-04,2.18E-04,-6.12E-04,8.18E-05,-2.33E-05,9.65E-05,0.001125144,33.28091673,-0.60076207,-2.70031815,0.521505806,-3.995037371,0.263801203,0.194594378,0.090784141,-0.082232922,47.67517061,-5.409689216,-6.963183597,-0.179192126,-3.559290248,0.267173107,0.304354616,0.36012688,0.453080652,0.070493137,0.001030213,0.013104948,-0.00121284,-0.0083871,-0.002173821,-0.003580236,-0.005689857,-0.009205893,0.21077346,-0.037796809,-0.027977284,-0.005596322,-0.008303366,-0.001136194,-0.001401177,-0.001798652,-0.00246111,1.172075418,-0.228916012,-0.139700913,-0.039555793,-0.035322619,-0.011399057,-0.014286128,-0.018616735,-0.025834413,1.354274012,0.028970377,0.19971582,0.011272701,-0.189187806,-0.051379164,-0.082371075,-0.126544127,-0.05223059,-0.566265306,0.055015997,0.022408646,-0.063048059,0.008421863,-0.002402605,0.009936741,0.115889418,-0.018051248,-0.081137132,0.015669815,-0.120039884,0.007926501,0.005847026,0.002727814,-0.002470873,-0.11346974,-0.146054718,-0.003758605,-0.074657106,0.00560403,0.006383923,0.007553762,0.009503493,0.014614373,0.185903887,-0.017205074,-0.118977539,-0.030837347,-0.050788428,-0.08071505,-0.130592753,-0.179324328,-0.132736277,-0.026551362,-0.039394739,-0.005390594,-0.006647789,-0.00853358,-0.011676566,-0.195308261,-0.119191062,-0.033748505,-0.030136814,-0.009725532,-0.012188745,-0.015883564,-0.022041596,0.021391814,0.147470761,0.008323797,-0.139696844,-0.037938529,-0.060823049,-0.093440564,-0.038567224,1.581558354,0.983795484,0.864199101,0.960758066,0.790354155,0.931117132,1.119463128,1.352701337,1.153659262,1.108777985,0.913705541,1.090456862,0.900432846,0.924418856,0.96039787,1.020362893,1.502856841,1.245824605,0.979954675,1.022065131,0.919822037,0.901151827,0.873146512,0.826470987,0.709357391,0.747096528,0.800870907,1.154284377,0.841406296,0.995250716,1.226017346,1.610628396,1.666760029,1.26568078,1.004273783,0.98445829,0.920766092,0.900018961,0.868898265,0.817030438,1.692861872,1.257241095,1.006378745,0.977032927,0.918788412,0.902392177,0.877797824,0.836807235,0.551680406,0.509189045,0.840447558,1.406077752,0.842766478,1.003398208,1.242695478,1.532602746,72.28450282,36.39225141,58.57662701,72.69359373,6.608508521,36.39225141,0.5,0.167651184,0.015241017,-1.964456716,54.01973572,4.910885066,4.388284402,72.2951858,36.39685848,58.58212493,72.70307493,6.609370448,36.39685848,0.498531158,0.167496479,0.015226953,-1.965472243,54.02271658,4.911156052,4.388345099,81.98531989,40.59366547,63.73802979,81.33241983,7.393856349,40.59366547,-0.797988956,0.027964301,0.002542209,-3.934509201,64.13333491,5.830303173,4.577060701,72.30639847,36.40169403,58.58789589,72.71302632,6.61027512,36.40169403,0.4969896,0.167334108,0.015212192,-1.966539101,54.02585707,4.911441552,4.388409043,92.62569142,45.23055144,69.81718109,90.85466444,8.259514949,45.23055144,-2.164588529,0.124818827,0.011347166,-2.288981172,76.45599511,6.95054501,4.770386883,73.40670813,36.87648825,59.15634959,73.69001862,6.699092602,36.87648825,0.346268372,0.151422564,0.013765688,-2.076449004,54.39482842,4.944984402,4.395895992,77.11044184,38.68387707,63.85130844,77.64483337,7.058621216,38.68387707,1.175661376,0.24794175,0.022540159,-1.534017585,53.15631843,4.832392585,4.370560675,0,11.99626879,15.99826012,-0.349592188,0.261222494,4.026294461,7.348132895,10,28,27,27,9,1,1,0,0,1,22.551726,3.559884022,3.37847824,3.0515647,2.706919327,2.467670759,2.044852949,1.618677336,1.299969632,1.907138475,1.722609967,1.487104744,1.37079738,1.105034565,0.834307981,0.639382881,0.526878018,3.532785539,3.329660982,3.015314545,2.706259167,2.443357463,2.050212273,1.67146831,1.394097666,1.855089596,1.688116673,1.473712639,1.289808988,1.033503261,0.760610953,0.549554956,0.416736612,3.673352438,3.508627336,3.236296311,2.960861718,2.713623487,2.3760971,2.064721466,1.846523953,1.671900054,1.468102947,1.186774082,0.969449275,0.69903006,0.361412497,0.08430065,0.097677003,3.545807076,3.329939638,3.012740601,2.728865668,2.462255984,2.074261572,1.718819806,1.465202815,1.827358004,1.676581129,1.455790276,1.237250125,0.992790189,0.716128988,0.485630783,0.331573394,3.719082523,3.546406946,3.293639548,3.054658077,2.798458201,2.485058776,2.214660692,2.030412492,1.620929839,1.421897688,1.133615625,0.876442817,0.610460124,0.256967775,0.055352358,0.272076487,4.995541279,3.511100912,3.365097887,3.231439831,2.829999567,2.373034402,2.014639794,1.839484188,1.789030693,1.536114771,1.191359027,0.999177452,0.787376062,0.467585836,0.233425713,0.100217409,0,0,1,0,0,1,6,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.49279928,0.348461713,0.24639964,0.100592232,0.071129449,0.050296116,8.527097737,5.308060412,3.716308703,2.497400241,1.300476816,0.794575975,0.473461713,0.267537387,0.775190703,0.530806041,0.37163087,0.277488916,0.185782402,0.132429329,0.094692343,0.066884347,7.559137268,4.377156753,2.740346176,1.712125132,0.974953031,0.564395899,0.31069982,0.149615428,0.687194297,0.437715675,0.274034618,0.190236126,0.139279004,0.094065983,0.062139964,0.037403857,15.30604844,28.65185725,27.22745098,27.64,17.14746946,223.5633377,0.527794774,0.987995077,0.93887762,0.953103448,0.59129205,7.709080611,2.5199,45.392,38.90378818,61.4804695,77.80757635,7.073416032,38.90378818,0.088034518,0.008003138,-2.673028917,56.71381963,5.155801785,4.441819705,137,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,1,0,0,0,0,0,0,0,0,0,0,2,0,6,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.14007897,-0.081945862,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.183832908,0.5125,0,0,0,0,0,0,0,0,0,0,3.619725293,0,6.488808264,0,0,0,0,0,0,-0.081945862,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.6222719,4.517807067,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.517807067,-0.081945862,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.231684028,0.5125,0,0,0,0,0,0,0,0,0,0,1.438865347,0,0.583545918,0,0,0,0,0,0,-0.081945862,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.6222719,4.517807067,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.6222719,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,2.180859946,0,1.27894109,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.6222719,4.517807067,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,25.16666667,2.287878788,0.555902778,10.6222719,0.231684028,-0.081945862,4.702881276,1.748612528,3.622271904,9.641877834,1.748612528,3.622271904,9.641877834,5.16666,0.4697,0,0.0303,0.5046,0.83939,0.42571,0.5046,0.83939,0.07888,0,-0.07888,0,0.55957,0.15472,0,0.25806,0.09677,0,7.25,0.65909,5.75,0.52273,1.5,0.13636,-4.25,-0.38636,0,0,9.71491,0.88317,12.94176,3.22685,0.29335,4.18293,0.38027,5.30805,1.12513,0.10228,0.10595,0.00963,0.10595,0.00963,0,10.02,2,2,2,2,0,0,0.888888889,1.217016339,1.869419254,3.151638117,3.719375822,3.672997272,3.464657824,35.29347382,54.21315836,91.3975054,107.8618989,106.5169209,100.4750769,0.250518958,0.384814032,0.648754724,0.765621732,0.756074854,0.713188839,3.640964657,2.988561741,1.706342878,1.138605173,1.184983723,1.393323171,0.250518958,0.384814032,0.648754724,0.765621732,0.756074854,0.713188839,10.97269385,19.07704018,22.96752155,24.5839158,22.26293124,22.05296153,40.23381885,27.50542472,22.66584681,19.35838663,23.02935897,23.77582211,11,8.1,7.901234568,11,3,8,2.23,1.4511,0.111111111,3.036425715,0.534522484,0,7.473424937,2.00414513,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,4.855,10,9,7,6,5,4,3,1,0,66,2.48490665,2.564949357,2.48490665,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,0.693147181,0,4.343805422,1.151515152,0.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0.7,9,0.9,0,5,9,0.8,1.5,0.666666667,0.25,0.16,0.111111111,0.081632653,0.0625,0.024691358,0,0,0.15,0.066666667,0.027777778,0.022857143,0.018518519,0.016326531,0.015625,0.008230453,0,0,0.326002089,38.90378818,61.4804695,77.80757635,7.073416032,38.90378818,0.088034518,0.008003138,-2.673028917,56.71381963,5.155801785,4.441819705,26.3,179.164315,4.459431619,3.713572067,4.369447852,5.056245805,5.733341277,6.428105273,7.112327445,7.810758117,8.498010372,9.198369,78.92017721,3.044522438,0,4.110873864,0,5.332718793,0,6.618738984,0,7.937731775,8.254788926,158.1306798,5.452782063,20.65555438,1.877777671,5.131831535,5.131831535,0,206,9,3.339,40,1.23675,2.126110498,2.866826838,3.620333975,4.899904664,5.917574288,7.217017758,8.306598725,9.572192064,10.67605859,90.61417592,92.12349059,93.94726923,114.5647543,136.2672296,167.4687225,200.3171285,238.4299264,175.9651591,73.50191023,285.8212107,328.0262443,364.2363044,469.8771696,564.394693,676.5511877,782.8729777,866.2358104,930.0709225,804.4156758,9.374724549,15.92175398,20.92074981,26.81204764,35.70437911,43.45790468,53.51304326,62.71151579,74.76460038,73.98165696,2.046067119,2.568970398,2.967203691,3.836450099,4.735246471,5.633862283,6.480916137,7.014336797,7.810848726,8.525576703,179.3941461,335.5044592,470.5863813,588.7219229,812.9006975,983.276329,1212.899364,1410.224224,1648.16411,1794.577827,3.23491369,5.212810759,5.950386684,7.97747094,9.673318231,12.35667649,16.23274575,22.14132345,26.7313381,16.3251629,0.453290625,0.583579403,0.675128395,0.879088205,1.08679961,1.313531634,1.553119764,1.758906398,1.967792672,1.870545152,493.0299337,448.3881375,17.78515696,205.1692841,-186.5920644,-25.40161971,287.8606496,634.9802019,43.18677667,0.706145067,0.642206588,0.025472897,0.293854933,-0.267247599,-0.036381622,344.2331141,313.0642469,12.41758267,143.2490336,-130.2784334,-17.73539101,0.28719109,0.350706347,1.941831088,9.078836199,634.4230707,63.7761471,0.908656232,0.091343768,772.2292981,27.78901398,9.174493378,946.5959475,30.76679944,9.81872011,1300.254426,36.05904084,10.91464078,3.426743767,3.426743767,2026.760433,1965.946223,87.53130594,1.030933812,23.15469205,22.45992108,5.288933088,6.621754641,12.23589106,0.847832142,5.033436019,7.138580304,5.681289851,27.48131563,12.55591054,1.551878538,5.394040703,8.602036599,16.72472932,1.373367252,3.69764324,10.97274169,5.608264416,6.679960746,3.211205368,4.234334018,1.807145498,3.656995048,0.004071612,2.141066014,0.78524301,3.510074714,0.766491234,0.001869471,8.79E-26,7.98E-70,1.40E-135,4.71E-223,0,0,0.438928927,7.289419119,0.528685866,6.915210579,0.315983029,1.072398032,0.775483331,0.340170218,5.600633419,0.052009203,1.937512827,1.603823993,0.207596796,2.695704583,0.077266459,2.194634064,0.173462981,0.330303067,0.002849148,0.071348908,0.767481895,0.248101327,0.005398461,1.32E-05,6.19E-28,5.62E-72,9.84E-138,3.32E-225,0,0,1.369498643,7.00834529,1.183227751,8.049363312,1.39895952,0.952533316,1.59671661,1.243038627,6.467291756,0.209567954,1.799288234,2.712426018,0.777309942,3.039467626,0.376089895,1.987623995,0.379672805,0.683601066,0.001926099,0.225466987,0.771020644,0.831524978,0.056256122,1.37E-04,6.45E-27,5.86E-71,1.03E-136,3.46E-224,0,0,4.756268112,7.289130298,6.349446095,26.18699867,11.5546635,1.777758476,5.386791572,7.973451902,17.03025206,1.252796662,3.736581143,10.48071764,5.090568629,6.997637331,2.898755712,4.357263197,1.718481706,3.949408992,0.004604154,2.096431801,0.784125025,3.281223464,0.682929891,0.001665665,7.84E-26,7.11E-70,1.24E-135,4.20E-223,0,0,2.010807281,6.901554589,1.465544369,9.573840504,2.499583627,0.89349506,2.123470772,2.056409786,7.258019504,0.351029306,1.868274077,3.730016438,1.32635856,3.329386272,0.682437236,2.042627302,0.553263051,0.868142102,0.001693198,0.366065798,0.77347562,1.256497643,0.122195813,2.98E-04,1.40E-26,1.27E-70,2.23E-136,7.52E-224,0,0,6.07862598,7.234110694,7.81825013,37.17135132,17.81693131,1.900178761,6.691741459,11.85518265,21.24025605,1.86483726,4.531247068,14.00151257,7.743728968,8.06866234,4.504989149,5.216866709,2.366191573,5.124530851,0.005027939,3.11507393,0.789417218,4.390511853,1.117855426,0.002726448,1.28E-25,1.16E-69,2.04E-135,6.88E-223,0,0,3.208675587,7.192205802,6.7190465,19.09929379,6.849839766,2.766297627,4.128552305,4.776246124,18.0387805,0.620820541,3.357218141,8.508834942,2.462188862,9.089153588,1.343012058,4.14747501,1.329597815,4.247328801,0.006665271,1.294953596,1.16793125,2.415805404,0.288621962,7.04E-04,3.31E-26,3.00E-70,5.26E-136,1.78E-223,0,0,13.74779006,0.763317546,0.457063045,0.918468287,0.050996048,0.524509469,0.583772446,0.551708075,14.96817065,17.1264204,36.89097836,0.877702431,1.65998999,12.87988597,0.472578465,0.084433661,0.958546078,0.035170205,0.460297431,0.224605052,0.018827314,13.43689809,7.214154198,21.16497944,0.937819117,0.703729797,12.94035934,0.533847815,0.234607728,0.943944422,0.038941938,0.464696145,0.285704502,0.145358942,13.70881489,10.0693357,25.3988636,0.915916633,0.895759589,13.78738462,0.764477506,0.436672449,0.919862082,0.051004153,0.5275037,0.586326349,0.503580271,14.98853458,16.89454269,36.48566837,0.879793123,1.617410321,13.05585776,0.580156369,0.308637455,0.936262744,0.041604221,0.473078146,0.33663054,0.251567412,13.94465159,11.78302373,28.06543091,0.904394116,1.061276098,13.87679318,0.79682279,0.482776626,0.915573616,0.05257338,0.534390348,0.636380415,0.615530525,15.15639259,18.14142387,38.6360442,0.873360424,1.786301288,13.7907239,0.770574453,0.439749193,0.919317391,0.051368043,0.527725243,0.596576381,0.51070161,15.00104754,17.03009873,36.70426399,0.878976087,1.635003234 +UMLYSI0260,L,methyl-3-pentenoate,CC=CCC(=O)OC,unsaturated esters,C6H10O2,818-58-6,101865,UML,,38.8,0,0.9533,0.90878089,32.5887,18.83193,0,0,18,8,10,0,6,0,2,0,0,0,0,0,0,0,1387.681368,1274.619331,1406.023855,1213.06665,891.749468,657.788467,292.502617,75.69072,9.144576,3284.720409,3749.622277,4241.647271,3955.398981,3280.082463,2369.164415,1467.796384,781.6709315,279.7536999,139.131168,131.440036,217.318252,209.212608,194.390912,176.995612,112.993444,62.861184,60.466176,22.46593705,26.3090631,31.4430657,29.44045678,25.40237186,19.667281,11.78552387,8.015104575,4.001516144,2980.845228,2498.432887,4533.639786,4375.004097,4095.133037,4094.719225,2405.143163,1473.488242,1664.258868,92.27777778,57,92.25,91.5,83.5,60.5,46.5,15,9,77.09340933,74.97760771,50.21513768,44.92839444,35.66997872,27.40785279,20.89304407,8.41008,1.016064,182.4844672,220.5660163,151.4874025,146.4962585,131.2032985,98.71518395,104.8425989,86.85232572,31.08374443,7.729509333,7.731766824,7.761366143,7.748615111,7.77563648,7.374817167,8.070960286,6.984576,6.718464,1.248107614,1.547591947,1.122966632,1.090387288,1.016094875,0.819470042,0.841823134,0.890567175,0.444612905,165.6025127,146.9666404,161.9157066,162.0371888,163.8053215,170.613301,171.7959402,163.7209158,184.917652,5.12654321,3.352941176,3.294642857,3.388888889,3.34,2.520833333,3.321428571,1.666666667,1,0.28439063,-0.150280871,0.004662106,0.018203713,-0.00223731,0.021703682,-0.052633823,0.005309348,0.013077841,663.856216,-9.534489444,43.33050744,-107.2813873,-274.1342582,168.3072883,-312.5197688,-96.096,256,866.1096724,-133.5335166,-8.818559123,-126.2557248,-290.0254276,155.1588868,-139.4996634,-215.8554956,325.7746642,1.881856,-0.014157778,0.546221778,-0.444386667,-0.610766222,0.032804,-0.810307111,0.1016,0.258064,3.87734243,-0.994912954,0.041827065,-0.618789667,-0.953412867,0.16307468,0.329053026,-1.00439307,1.098882572,21.92945949,-6.116843013,0.634819861,-3.665154416,-4.842679049,-0.056088472,3.111692563,-5.466869974,5.436392757,36.56790123,-1.218449931,6.209190672,-4.966049383,-12.11899863,2.835390947,-14.84602195,0.632716049,5.188271605,0.015799479,-0.008840051,1.67E-04,6.74E-04,-8.95E-05,9.04E-04,-0.003759559,5.90E-04,0.001453093,36.88090089,-0.56085232,1.547518123,-3.973384716,-10.96537033,7.012803681,-22.32284063,-10.67733333,28.44444444,48.11720402,-7.854912743,-0.31494854,-4.676137955,-11.60101711,6.464953616,-9.964261672,-23.98394396,36.19718492,0.104547556,-8.33E-04,0.019507921,-0.016458765,-0.024430649,0.001366833,-0.057879079,0.011288889,0.028673778,0.215407913,-0.058524291,0.001493824,-0.022918136,-0.038136515,0.006794778,0.023503788,-0.11159923,0.122098064,1.218303305,-0.359814295,0.022672138,-0.13574646,-0.193707162,-0.00233702,0.222263755,-0.607429997,0.60404364,2.031550069,-0.071673525,0.22175681,-0.183927755,-0.484759945,0.118141289,-1.060430139,0.070301783,0.576474623,-0.559515348,0.010538562,0.042673025,-0.005664262,0.057237335,-0.2379546,0.037338414,0.091970967,-0.015207121,0.041959879,-0.107735566,-0.297318397,0.190147299,-0.605268312,-0.289508474,0.771251346,-0.163245411,-0.006545446,-0.097182246,-0.241099152,0.134358464,-0.207083139,-0.498448413,0.752271161,-0.007965853,0.186593752,-0.157428506,-0.233679771,0.013073795,-0.553614851,0.107978506,0.274265406,-0.271690537,0.00693486,-0.106394122,-0.177043239,0.031543773,0.109112926,-0.518083243,0.566822555,-0.29534049,0.018609601,-0.111422549,-0.158997485,-0.001918258,0.182437127,-0.498586842,0.495807273,-0.035280216,0.109156458,-0.090535674,-0.2386158,0.058153275,-0.521980804,0.034604997,0.283760972,1.541416966,1.137329616,1.143572644,0.968345244,0.758804853,1.467145458,0.103504104,0.020300001,0.947774903,0.93182072,1.080446494,1.273834317,0.708876479,1.676081363,1.03341763,0,1.359308315,0.97987202,1.059016564,1.162972773,0.740827657,0.982236406,1.472933567,0,0.720180503,0.853894013,1.212120414,1.36390253,0.766095148,2.213862576,0.071413895,0,1.589299252,0.989033858,1.088322129,1.110923992,0.78448523,0.64754871,1.470871106,0,1.626717752,0.986391463,1.102733646,1.104770359,0.797615392,0.605495471,1.412673756,0,0.585668467,0.621465648,1.251659914,1.706657664,0.724774223,2.170863678,0.154962863,0,31.24078976,15.87039488,25.14335614,31.61578976,3.95197372,15.87039538,0.5,0.105818056,0.013227257,-1.79682729,41.31093498,5.163866873,2.976901788,31.2506445,15.87458783,25.14881664,31.62454286,3.953067858,15.87458832,0.498531158,0.105551068,0.013193883,-1.798848312,41.24401794,5.155502242,2.975604866,40.15569509,19.67885307,30.4420865,39.55720338,4.944650422,19.67885308,-0.797988956,0.122200959,0.01527512,-1.681670709,32.61711452,4.077139315,2.787869709,31.26098783,15.87898871,25.15454879,31.63373003,3.954216253,15.87898921,0.4969896,0.105270866,0.013158858,-1.800974862,41.17438925,5.146798657,2.974253154,49.82692235,23.83116691,36.9335766,48.20348096,6.02543512,23.83116691,-2.164588529,0.309608084,0.038701011,-0.93795842,168.3217171,21.04021463,4.100701705,32.27575452,16.31101145,25.7215198,32.5354558,4.066931975,16.31101176,0.346268372,0.077900073,0.009737509,-2.041862711,36.42130167,4.552662709,2.876123051,31.66713229,16.18558589,26.7037892,32.22850795,4.028563493,16.18558633,1.122751323,0.138749513,0.017343689,-1.580068027,31.06603436,3.883254294,2.748892064,0,11.99635523,15.99825889,-0.349364994,0.265012734,3.999713463,6.949510425,7,17,15,15,5,2,2,0,0,2,13.80607,3.564541141,3.194864249,2.668172943,2.303935835,1.672777823,1.087982103,0.773442678,0.083923071,1.801188231,1.48933811,1.335304807,0.867403228,0.427942844,0.260866254,0.083923071,0.083923071,3.510095559,3.087809046,2.654779802,2.264088672,1.67475037,0.904012007,0.634211404,0.270913902,1.777592334,1.497258785,1.254691798,0.841935991,0.476089204,0.09801103,0.270913902,0.270913902,3.645843131,3.31282453,2.922615052,2.555749552,2.053194482,1.427937741,1.255945192,0.943918427,1.610236847,1.21334357,0.927468599,0.502071854,0.021322651,0.481251539,0.943918427,0.943918427,3.51096363,3.061735615,2.678931371,2.27178013,1.696852673,0.99785762,0.465144214,0.399277246,1.772764898,1.497795724,1.204363656,0.827769144,0.438100496,0.014393934,0.399277246,0.399277246,3.670030876,3.3420815,3.015856707,2.628653464,2.176907449,1.646924337,1.209058028,1.207644823,1.576640745,1.180491557,0.831314726,0.42806067,0.087862802,0.696128795,1.207644823,1.207644823,4.55743176,3.46664613,3.146366229,2.656593817,2.03182839,1.687313321,1.123080645,0.537313433,1.66389389,1.236595258,1.077778335,0.562087547,0.042561071,0.156891875,0.537313433,0.537313433,0,0,1,2,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.49279928,0.348461713,0.288675135,0.092946256,0.053662546,0.03928371,6.405777394,3.808060412,2.655648531,1.747400241,0.756710003,0.49279928,0.144337567,0,0.800722174,0.54400863,0.379378362,0.291233373,0.189177501,0.164266427,0.144337567,0,5.1783039,2.488981865,1.349292352,0.747890958,0.297409508,0.144337567,0.048112522,0,0.647287988,0.355568838,0.19275605,0.124648493,0.074352377,0.048112522,0.048112522,0,10.13873723,18.10050983,17.3254902,17.6,10.9532515,138.193012,0.563263179,1.00558388,0.962527233,0.977777778,0.608513972,7.677389554,1.05179,31.177,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,63,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,2,0,2,0,0,0,0,0,0,0,0,2,0,1,0,2,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.65930556,3.380601852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.881875,0,0,0,0.965555556,0,0.881875,0,0,0,0,0,0,0,0,3.244814815,0,0.381944444,0,3.572175926,0,0,0,0,-0.191574074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.29722222,4.362083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.362083333,-0.191574074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422777778,0,0,0,0.362777778,0,0.422777778,0,0,0,0,0,0,0,0,1.380787037,0,0.381944444,0,1.755787037,0,0,0,0,-0.191574074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.29722222,4.362083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.29722222,1.816388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.459097222,0,0,0,0.602777778,0,0.459097222,0,0,0,0,0,0,0,0,1.864027778,0,0.381944444,0,1.816388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.29722222,4.362083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.66666667,2.708333333,0.617986111,10.29722222,0.362777778,-0.191574074,2.613078426,1.858240741,3.297222222,8.318611111,1.858240741,3.297222222,8.318611111,3.66666,0.45833,0,0.04167,0.56296,0.89167,0.42308,0.53667,0.89167,0.13989,0.0263,-0.11359,0,0.51402,0.20027,0,0.36364,0.13636,0,6.75,0.84375,4.25,0.53125,2.5,0.3125,-1.75,-0.21875,0,0,4.57963,0.57245,8.4771,3.89747,0.48718,2.07937,0.25992,3.80805,1.72868,0.21609,0.10595,0.01324,0.10595,0.01324,0,7.02,2,2,2,2,0,0,0.5,1.351644115,2.614369446,3.419381946,3.530493057,3.530493057,3.298830557,24.32959407,47.05865003,61.54887502,63.54887502,63.54887502,59.37895002,0.324141109,0.626958385,0.820010419,0.846656248,0.846656248,0.791100693,2.818280886,1.555555556,0.750543056,0.639431945,0.639431945,0.871094445,0.318189072,0.61544587,0.804952988,0.831109534,0.831109534,0.776574117,12.44827692,23.63621589,25.66888041,25.78086097,25.78086097,23.00091097,29.36606616,18.35722779,16.04026806,15.79916528,15.79916528,14.40919028,8,5.142857143,5,8,3,5,1.9,0.9854,0.166666667,2.249576847,0.707106781,0,2.381101578,1.650963624,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.446,0.43,0.658,0.216,3.298,7,6,4,3,1,0,0,0,0,36,2.302585093,2.48490665,2.397895273,2.302585093,2.197224577,1.098612289,0,0,0,0,4.060443011,1.583333333,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,5,0.714285714,0,3,6,1,1.5,0.666666667,0.25,0.16,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.041666667,0.04,0.018518519,0,0,0,0,0,0.409708995,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,26.3,124.6399025,4,3.36729583,4.007333185,4.691347882,5.361292166,6.052089169,6.72982407,7.422373701,8.102586425,8.795582217,69.52972465,2.708050201,0,3.761200116,0,4.990432587,0,6.289715571,0,7.623153068,7.934871566,114.0680796,6.337115531,14.66013744,1.832517181,5.1060516,5.1060516,0,76,6,1.41,28,1.226183717,2.119669612,2.985840633,3.822825066,4.977844328,6.073377869,7.429796713,8.054997193,0,0,103.210621,119.2355517,147.7028156,159.2447474,154.3671987,140.4847088,64.37915532,8.184392668,0,0,292.0253187,348.2718659,469.5250757,558.1318466,531.4813375,680.5780596,659.5801964,250.3794742,0,0,9.564621933,16.59657746,23.17275142,29.63322518,36.96327051,49.06350854,51.96214416,54.11720866,0,0,1.998385944,2.524434629,3.435622724,4.244257302,4.293454502,5.402406603,6.730963856,3.581355701,0,0,178.7020347,339.2702424,480.121859,613.6457654,842.2344826,1034.169093,1210.983597,1489.511168,0,0,4.283313997,7.395742639,10.17596167,12.60897851,13.07730783,19.98236785,12.55376059,8.054997193,0,0,0.462686627,0.608606768,0.831554366,1.02756763,1.057502123,1.382080998,1.465868613,0.824831713,0,0,290.4531017,232.5969757,13.23351653,136.4760781,-109.2910451,-19.81240244,153.9770236,341.8880208,33.04591897,0.680330873,0.544813957,0.030996983,0.319669127,-0.255993383,-0.046406766,124.0029045,99.30243608,5.649774359,58.2656201,-46.65953623,-8.458492723,0.330900999,0.397988465,1.935588572,7.457942831,371.2132387,55.71594118,0.869496057,0.130503943,592.5566573,24.34248667,8.399303879,692.8615045,26.32226253,8.848754459,948.159528,30.79219914,9.8241233,2.555796679,2.555796679,708.2115404,654.2207078,63.69942871,1.082526939,11.11802028,10.27043289,4.126117938,4.670417837,9.083553942,0.944912481,4.157408535,3.800640755,3.26673963,6.295505849,4.293833942,0.254799453,4.876106359,4.539900992,7.35476319,0.003477803,1.268564688,2.096308598,1.774064715,3.452876747,0.016838338,0.811165312,0.49751672,2.94E-08,3.35E-37,7.36E-88,3.12E-160,2.55E-254,0,0,0,0,0,0,0,0,0.356129455,4.067851369,0.313439215,4.882252901,0.130886601,0.049758972,0.983342188,0.100259454,3.063760632,2.91E-04,0.352077976,0.204482125,0.171414028,0.207309116,0.001412777,0.005769038,0.003504051,2.07E-10,2.36E-39,5.18E-90,2.20E-162,1.79E-256,0,0,0,0,0,0,0,0,1.128873259,3.565387334,0.752047021,4.304520221,0.438319095,0.083278334,1.642490634,0.508612755,2.903033931,9.39E-04,0.448119554,0.488791338,0.404261246,0.688392384,0.004560847,0.05967865,0.036514912,2.16E-09,2.46E-38,5.40E-89,2.29E-161,1.87E-255,0,0,0,0,0,0,0,0,3.926492077,4.069584642,3.568473699,6.944031199,3.974161981,0.249422944,4.915049663,4.091983156,7.931677217,0.00328277,1.44033442,2.2978551,1.953893414,3.190009891,0.015893778,0.722772203,0.44327844,2.62E-08,2.98E-37,6.55E-88,2.78E-160,2.27E-254,0,0,0,0,0,0,0,0,1.66043178,3.374636833,0.964977493,4.107854531,0.783058537,0.107779501,2.067878259,0.936762794,2.988140376,0.00138401,0.478253082,0.624619206,0.513172893,1.072504245,0.006722081,0.129492361,0.079315269,4.68E-09,5.34E-38,1.17E-88,4.97E-161,4.06E-255,0,0,0,0,0,0,0,0,5.020681298,3.972642428,4.35600261,7.323897442,6.173419927,0.310064572,5.99680701,6.398335685,9.424741011,0.004204859,1.683173955,2.790356239,2.378862216,4.499020897,0.020335866,1.182825933,0.725581378,4.29E-08,4.88E-37,1.07E-87,4.55E-160,3.72E-254,0,0,0,0,0,0,0,0,2.301510887,4.35637462,2.524270113,9.044671694,2.007750636,0.184559976,3.414973157,1.440235156,10.10530845,0.002003641,1.894172324,1.653095188,1.40452257,1.622073343,0.009721344,0.234398117,0.143635925,8.48E-09,9.67E-38,2.12E-88,9.00E-161,7.36E-255,0,0,0,0,0,0,0,0,8.152353723,0.811452921,0.267589328,0.883111693,0.087901432,0.577418486,0.531485546,0.333318712,9.231395972,9.013870237,20.01543684,0.824667539,1.442222744,5.829347752,0.517572135,0.042535226,0.912338791,0.081004112,0.295480731,0.217787479,0.008422085,6.389455113,3.287075631,9.804864111,0.868508186,0.521690294,6.837614016,0.561415307,0.128703014,0.908323212,0.074579605,0.406312652,0.255373115,0.07710802,7.527732337,4.791018545,12.81280844,0.862484818,0.738793788,7.945222462,0.811907777,0.251179939,0.881988109,0.090128755,0.548475906,0.532507345,0.293691933,9.008310177,8.65040334,19.27902203,0.822982164,1.374675185,7.350397034,0.605859309,0.17557909,0.90390381,0.07450462,0.469465295,0.296877633,0.143505223,8.131835434,5.85025872,14.76400165,0.855855716,0.909848151,8.289304281,0.850258665,0.283810151,0.879653623,0.090228696,0.596971175,0.583352753,0.37495398,9.423373097,9.641953533,21.06563556,0.819480434,1.555277908,7.970631891,0.816909582,0.253849613,0.88157141,0.090352201,0.55208111,0.540265679,0.299968139,9.041391086,8.741999562,19.43627796,0.822357116,1.392314927 +UMLYSI0261,L,diisopropyl ether,CC(C)OC(C)C,saturated ethers,C6H14O,108-20-3,7914,PubChem,,38.7,0,-0.0497,0.00247009,32.0097,20.697102,0,0,21,7,14,0,6,0,1,0,0,0,0,0,0,0,1135.777623,1130.883694,1439.608479,952.272388,790.075108,302.76288,36.578304,0,0,3192.664609,3905.83924,4854.28677,4657.548737,4120.444613,3126.683726,1119.0148,0,0,152.653308,149.87668,276.2031,324.084496,271.694992,251.444736,241.864704,0,0,23.60118467,29.42390034,37.94565979,38.49779103,37.41995415,32.0604183,16.00606457,0,0,3535.064551,2957.579749,6033.097523,7092.116237,6470.573576,5893.952969,6657.035473,0,0,45.80555556,46.66666667,80.77777778,91.33333333,59,60,36,0,0,54.08464871,56.5441847,38.90833727,22.6731521,20.2583361,8.41008,1.016064,0,0,152.0316481,195.291962,131.1969397,110.8940175,105.652426,86.85232572,31.08374443,0,0,7.269205143,7.493834,7.464948649,7.716297524,6.966538256,6.984576,6.718464,0,0,1.123865937,1.471195017,1.025558373,0.916614072,0.959486004,0.890567175,0.444612905,0,0,168.3364072,147.8789875,163.0566898,168.8599104,165.912143,163.7209158,184.917652,0,0,2.181216931,2.333333333,2.183183183,2.174603175,1.512820513,1.666666667,1,0,0,0.167385845,-0.053514549,0.03446159,-0.110774136,0.028286874,-0.005666155,0.023513453,0,0,638.6281311,-22.56118033,123.0342012,-518.4730811,45.94086945,-482.9657385,535.7108638,0,0,965.983639,-166.0761568,-52.27177402,-239.3249831,69.70186553,-897.6975171,802.676746,0,0,1.082321143,0.050429388,0.074985796,-1.055124571,0.094134449,-0.027560816,0.321975184,0,0,4.253148428,-1.120695763,-1.142236037,0.689358614,0.319172316,-3.964193139,3.092019795,0,0,23.45618849,-6.732245357,-7.792566056,6.400530384,1.78889071,-21.41385605,16.02115213,0,0,8.026455026,-2.747417486,5.613441673,-10.15608466,3.081821618,-3.997732426,4.192743764,0,0,0.007970755,-0.002675727,9.31E-04,-0.002637479,7.25E-04,-1.57E-04,6.53E-04,0,0,30.41086339,-1.128059016,3.325248682,-12.34459717,1.177971012,-13.41571496,14.88085733,0,0,45.9992209,-8.303807841,-1.412750649,-5.698213883,1.787227321,-24.93604214,22.29657628,0,0,0.051539102,0.002521469,0.002026643,-0.025122014,0.002413704,-7.66E-04,0.008943755,0,0,0.202530878,-0.056034788,-0.030871244,0.0164133,0.008183906,-0.110116476,0.085889439,0,0,1.116961357,-0.336612268,-0.210609893,0.152393581,0.045868993,-0.594829335,0.445032004,0,0,0.382212144,-0.137370874,0.15171464,-0.241811539,0.079021067,-0.111048123,0.116465105,0,0,-0.335693119,0.116851464,-0.330894574,0.09099571,-0.019746335,0.081943492,0,0,-0.037093949,0.109344106,-0.405927218,0.038735204,-0.441148769,0.489327026,0,0,-0.180520619,-0.030712491,-0.123876313,0.038853426,-0.542097054,0.48471639,0,0,0.048923425,0.039322438,-0.487435997,0.046832477,-0.014854318,0.17353339,0,0,-0.276672816,-0.152427346,0.081040978,0.040408187,-0.543702163,0.424080712,0,0,-0.301364291,-0.188556114,0.136435858,0.041065872,-0.532542448,0.398430976,0,0,-0.35941002,0.396938303,-0.632663151,0.206746615,-0.290540541,0.30471325,0,0,1.344741527,1.417805837,2.881393909,0.072885605,0.188479742,0,0,0,1.351907573,1.036907151,1.637321092,0.777731262,1.263813301,0,0,0,1.667047457,1.093054111,1.023666877,0.956123487,1.553700666,0,0,0,0.915140581,1.481550577,3.050355972,0.089896064,0.146081103,0,0,0,1.833557922,1.217098138,0.801048661,0.970791453,1.577536111,0,0,0,1.868478074,1.264085378,0.77694382,0.956180914,1.553793985,0,0,0,1.456987475,0.903543623,2.640079103,0.170376756,0.830586684,0,0,0,24.79403391,12.52201696,18.52201696,24.97260534,3.567515049,12.52202735,0.25,5.55E-17,7.93E-18,-26.20096343,2000010.832,285715.8332,10.15606421,24.80445812,12.52686185,18.53113495,24.98250497,3.568929281,12.52687219,0.249265579,8.33E-16,1.19E-16,-24.30532828,2000010.831,285715.833,10.15606421,34.06032461,16.83066506,26.65502993,33.77532855,4.825046936,16.83066518,-0.398994478,2.22E-16,3.17E-17,-25.23055737,2000010.288,285715.7554,10.15606402,24.81539859,12.5319467,18.54070466,24.99289488,3.570413554,12.53195698,0.2484948,1.11E-16,1.59E-17,-25.7157604,2000010.83,285715.8328,10.15606421,43.88849991,21.40310282,35.29740114,43.11543258,6.159347512,21.40310283,-1.082294264,1.67E-16,2.38E-17,-25.43193482,2000010.107,285715.7296,10.15606395,25.88600966,13.02957192,19.47784443,26.00967694,3.715668134,13.02957802,0.173134186,3.89E-16,5.55E-17,-24.83882632,2000010.717,285715.8167,10.15606417,26.68886708,13.47935418,19.32922528,26.88161085,3.840230121,13.47935784,0.26984127,4.44E-16,6.34E-17,-24.74535435,2000010.916,285715.8451,10.15606424,0,11.89,15.99491614,-0.375319647,0.1261689,5.353938456,6.863208452,6,20,20,20,6,0,0,0,0,0,17.220898,3.479286242,3.112599877,2.333552793,2.333552793,1.935359717,1.162837791,0.523891879,0.083923071,1.806415989,1.667247237,1.249629723,1.249629723,0.632246734,0.440344289,0.083923071,0.083923071,3.419952489,3.150713835,2.405454588,2.405454588,1.796262707,1.269690916,0.425946291,0.270913902,1.787861337,1.58857667,1.134540686,1.134540686,0.597673242,0.290000277,0.270913902,0.270913902,3.606298612,3.318028628,2.704236987,2.704236987,2.225116397,1.702702127,1.071114653,0.943918427,1.559938968,1.351217995,0.76031856,0.76031856,0.124091057,0.218324093,0.943918427,0.943918427,3.417378665,3.178805544,2.457539916,2.457539916,1.788734022,1.346550641,0.426535677,0.399277246,1.7765856,1.537907807,1.058262671,1.058262671,0.577268753,0.188893887,0.399277246,0.399277246,3.645232044,3.398793114,2.838982085,2.838982085,2.30961604,1.891182114,1.208225193,1.207644823,1.515604221,1.275766962,0.631337262,0.631337262,0.022793335,0.40108138,1.207644823,1.207644823,3.616479109,3.214417714,2.598486893,2.598486893,2.343874385,1.382195852,0.966452287,0.5625,1.654758804,1.48511223,0.910986893,0.910986893,0.303296978,0.111501337,0.5625,0.5625,0,0,0,0,0,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.471404521,0,0,0,0.471404521,0.942809042,0.23570226,0.272165527,0.544331054,0.136082763,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,5.562948829,2.780805598,2.233592343,0.544331054,0.544331054,0,0,0,0.794706976,0.4634676,0.31908462,0.136082763,0.136082763,0,0,0,10.50759373,20.54552076,19.42745098,19.72,12.07012096,162.609612,0.500361606,0.978358131,0.925116713,0.939047619,0.574767665,7.743314856,1.8198,31.357,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,38,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.144444444,0,0,0,0,0,0,0,0,0,0,0,8.166666667,0,0,0,0,0,0.75,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,2.041666667,0,0,0,0,0,0.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.041666667,0,0,0,0,0,0.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.16666667,2.023809524,0.45,5.25,0.055555556,0.375,3.84675,0.958333333,1.75,3.833333333,0.958333333,1.75,3.833333333,3.33333,0.47619,0,0.02381,0.46984,0.80952,0.42174,0.46984,0.80952,0.0481,0,-0.0481,0,0.58823,0.12606,0,0.6,0.3,0,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.44037,0.92005,7.47656,1.03619,0.14803,2.64202,0.37743,3.12588,0.48386,0.06912,0.28812,0.04116,0.28812,0.04116,0,6.01,1,1,1,1,0,0,1,1.115520094,1.377890332,1.772338851,1.772338851,1.563180878,1.240103029,23.42592197,28.93569697,37.21911587,37.21911587,32.82679845,26.0421636,0.253970737,0.313704635,0.403508827,0.403508827,0.355889779,0.282334565,3.276797329,3.014427091,2.619978572,2.619978572,2.829136544,3.152214394,0.258107046,0.318813803,0.410080596,0.410080596,0.361685998,0.286932823,9.935135927,13.08357879,13.48111388,13.48111388,10.13564997,6.258715768,25.72285013,21.9461562,22.66880993,22.66880993,20.99554615,17.11861195,7,3.06122449,6,7,0,3,2.01,1.0127,1.889881575,0,4.618802154,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.332,0.33,0.234,0.024,2.672,7,4,4,0,0,0,0,0,0,28,1.945910149,2.079441542,1.609437912,1.609437912,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,2.5,0.444444444,0.5,0,0,0,0,0,0,0,0.416666667,0.063492063,0.125,0,0,0,0,0,0,0,0.60515873,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,9.23,121.1225932,3.807354922,3.295836866,3.891820298,4.65396035,5.262690189,6.033086222,6.64509097,7.417580402,8.030409562,8.803424212,67.03389907,2.564949357,0,3.713572067,0,4.976733742,0,6.300785795,0,7.655864018,7.958576904,102.1044651,4.862117384,12.50916243,1.787023205,2.759305623,2.759305623,0,48,4,1.786,26,1.2239,2.089999681,2.848856381,3.456167734,4.063840867,4.721292034,0,0,0,0,80.31687478,91.32927946,68.74203028,78.23376463,36.54382475,4.79713487,0,0,0,0,260.8372223,295.5205042,328.5905536,386.9553405,370.8038447,146.755435,0,0,0,0,9.248938802,15.73320307,22.01110443,24.1202139,28.46937969,31.71983057,0,0,0,0,1.90483678,2.253728213,2.691451825,3.444135024,3.761859577,2.099147366,0,0,0,0,179.4180724,337.34898,478.6916479,570.4494244,658.5513228,873.0502375,0,0,0,0,2.950533333,4.829111942,6.2720346,5.374187198,6.986447684,4.721292034,0,0,0,0,0.4256175,0.541063479,0.646345621,0.737148235,0.818288003,0.483460304,0,0,0,0,369.5446275,196.2494494,10.81717016,109.6845596,-58.24880901,-10.18137122,259.8600679,254.4982584,20.99854138,0.771122956,0.409510636,0.022572019,0.228877044,-0.121546873,-0.021245307,177.0965715,94.04846412,5.183903665,52.56404235,-27.9145294,-4.879210253,0.111853907,0.706711503,0.739856822,12.41795255,461.6577277,17.57145949,0.963333912,0.036666088,443.6860744,21.06385706,7.627085227,579.3045795,24.06874695,8.33621654,754.3872326,27.46611062,9.103284378,1.366949698,1.022665312,323.098012,304.5019777,116.5962803,1.061070324,2.771083358,2.611592555,3.725624216,3.119969617,6.192856038,0.984909085,3.90460794,5.922587268,4.360805707,9.773373692,7.001747037,4.726763655,4.450096484,4.676833077,4.160200603,1.849607791,0.987891991,1.07E-04,5.40E-29,6.31E-75,1.48E-142,6.74E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686927,4.823141843,0.264908257,3.447386382,0.443440197,0.93306151,1.558468412,0.37957544,0.172623473,0.117556422,0.006957804,7.55E-07,3.80E-31,4.45E-77,1.04E-144,4.75E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.057812657,4.44111614,0.753390701,4.141750086,1.110596812,1.392527603,1.905292586,1.220102309,0.672971854,0.404307205,0.072505683,7.87E-06,3.96E-30,4.63E-76,1.09E-143,4.95E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631458,6.027088838,4.371043611,9.605350412,7.325414202,4.383111979,4.186959591,4.400797784,3.805142299,1.719941989,0.880193978,9.55E-05,4.81E-29,5.62E-75,1.32E-142,6.01E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021119,4.378839822,1.094576193,4.796009335,1.523880152,1.801439647,2.215652578,1.807975352,1.109559997,0.620986286,0.157492032,1.71E-05,8.61E-30,1.01E-75,2.36E-143,1.08E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379565,6.707769822,5.982951098,11.78095594,9.885526704,6.125644815,5.522149368,5.713582924,5.600787643,2.356532958,1.440747625,1.56E-04,7.88E-29,9.21E-75,2.16E-142,9.84E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.353223703,4.762709878,2.483939326,7.798634069,4.569981612,2.400200895,3.16088505,2.879134023,1.905036531,1.015427603,0.3125752,3.39E-05,1.71E-29,2.00E-75,4.68E-143,2.13E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.514787566,1.119915952,0.999216633,0.6238618,0.198780942,0.581436721,0.417003858,0.501663686,5.633920151,8.567339508,18.13444278,0.4357927,1.500104265,2.502452909,0.681251509,0.47986957,0.683063292,0.185952709,0.29450508,0.154261727,0.115599764,3.663573989,3.232562692,7.714218238,0.524594938,0.56436657,3.04627693,0.857593272,0.716840705,0.659265856,0.18559769,0.436564605,0.244486504,0.258077005,4.620710907,5.410919668,11.90435297,0.488898783,0.939128114,3.436035585,1.102918565,0.970966476,0.623608908,0.200169592,0.555663993,0.404413259,0.47367386,5.509920626,8.196839754,17.38640042,0.435413362,1.433751111,3.261657131,0.940934586,0.820247943,0.64936517,0.187331201,0.500549575,0.294344736,0.337967541,5.022839661,6.516173215,14.05635874,0.474047755,1.132861852,3.554248199,1.150400207,1.028945372,0.619898852,0.200642084,0.594596656,0.440018263,0.531977165,5.733593778,8.929634069,18.87038778,0.429848278,1.566592084,3.479087997,1.109470767,0.983005265,0.62443651,0.199130937,0.569719847,0.409245801,0.485523761,5.571564029,8.370523851,17.73643554,0.436654765,1.464489409 +UMLYSI0262,L,dibutyl ether,CCCCOCCCC,saturated ethers,C8H18O,142-96-1,8909,PubChem,,38.7,0,-1.1803,1.39310809,34.4873,26.884274,0,0,27,9,18,0,8,0,1,0,0,0,0,0,0,0,1428.370121,1467.840288,1497.133607,1320.698158,1123.941429,839.424772,662.912715,478.348754,281.592025,4164.033391,5211.819509,6407.254994,6022.131538,5015.333193,4184.663676,3708.814733,3075.021321,2068.222976,194.608196,193.42824,361.33502,432.8194,369.9345,306.769936,231.360492,249.09716,186.21226,30.95743629,39.45587758,53.04975886,52.9204881,43.89895924,36.61899773,33.74585244,30.05967844,21.03814958,4528.323871,3823.658652,7881.593609,10100.99149,8622.036339,7154.106698,5355.600751,6095.657421,4616.702266,51.75,55.5,90.25,98,87.75,69.5,49.25,49,37,52.90259707,56.45539569,30.55374708,22.01163597,22.03806724,19.9863041,20.08826409,13.28746539,10.42933426,154.2234589,200.4545965,130.760306,100.368859,98.33986653,99.63484942,112.3883252,85.41725893,76.60085098,7.207710963,7.439547692,7.374184082,7.213656667,7.253617647,7.304046095,7.010924,6.919365556,6.89675037,1.146571714,1.517533753,1.08264814,0.882008135,0.860763907,0.871880898,1.022601589,0.834991068,0.779190725,167.7156989,147.0637943,160.8488492,168.3498582,169.0595361,170.3358738,162.2909319,169.3238172,170.9889728,1.916666667,2.134615385,1.841836735,1.633333333,1.720588235,1.654761905,1.492424242,1.361111111,1.37037037,0.187391214,-0.035933937,-0.074431487,0.006318031,0.028370029,-0.037536286,0.004450135,0.011341183,6.82E-04,800.2177743,-22.99775273,-289.9195773,1.025096527,0.82874907,-87.12752639,-163.9517724,10.53649294,10.34014548,1266.51806,-164.438229,-468.6576123,-11.34326908,-11.76856136,163.9349742,-292.0871896,-17.86870065,-18.29399293,1.122666963,0.057919517,-0.239194711,-0.104999177,-0.115177745,-0.405020313,-0.004657844,0.071788049,0.061609481,5.603020215,-1.099761892,-1.987770163,-0.169919844,-0.179221375,1.553044446,-1.243290939,-0.15630136,-0.165602891,30.80423065,-6.590658804,-10.69637905,-1.186152724,-1.254782169,9.702101702,-6.629223274,-0.950539254,-1.0191687,7.666666667,-0.438271605,-2.24691358,-0.814814815,1.074074074,-2.481481481,-0.37037037,0.444444444,0.583333333,0.006940415,-0.001382075,-0.00151901,1.05E-04,5.56E-04,-8.94E-04,1.35E-04,3.15E-04,2.53E-05,29.63769534,-0.884528951,-5.916726067,0.017084942,0.016249982,-2.074464914,-4.968235526,0.292680359,0.382968351,46.90807629,-6.324547268,-9.564441066,-0.189054485,-0.230756105,3.903213672,-8.851126959,-0.496352796,-0.677555294,0.041580258,0.002227674,-0.004881525,-0.001749986,-0.002258387,-0.009643341,-1.41E-04,0.001994112,0.002281833,0.207519267,-0.042298534,-0.040566738,-0.002831997,-0.003514145,0.036977249,-0.037675483,-0.004341704,-0.00613344,1.140897431,-0.253486877,-0.21829345,-0.019769212,-0.024603572,0.231002421,-0.200885554,-0.026403868,-0.037746989,0.283950617,-0.0168566,-0.045855379,-0.013580247,0.021060276,-0.059082892,-0.011223345,0.012345679,0.021604938,-0.199134265,-0.218864413,0.015172077,0.080150114,-0.128770548,0.019430045,0.045391069,0.003641834,-0.029844728,-0.19963516,5.76E-04,5.48E-04,-0.069994137,-0.167632316,0.009875274,0.012921664,-0.134828536,-0.203897534,-0.004030318,-0.004919326,0.083209843,-0.188690896,-0.010581393,-0.014444321,0.053575275,-0.117400058,-0.042086951,-0.054313929,-0.231921139,-0.003394562,0.047958156,0.05487779,-0.203829432,-0.1954842,-0.013646913,-0.016934064,0.178187063,-0.181551735,-0.020921934,-0.029556005,-0.222182004,-0.19133486,-0.017327773,-0.021565104,0.202474311,-0.176076787,-0.023143069,-0.033085348,-0.059364548,-0.161490683,-0.047826087,0.074168798,-0.208074534,-0.039525692,0.043478261,0.076086957,1.242700064,1.660505507,1.191233082,1.337304685,1.795977111,0.236086437,0.176462152,0.178588612,1.381496713,1.352177398,0.973159058,0.990635186,1.08349207,1.072793046,0.764861709,0.728439723,1.626976717,1.310486543,0.916178057,0.896618162,0.782587355,1.260430525,0.898640281,0.855847887,0.924502131,1.601506437,1.289588852,1.495624448,1.944169999,0.14979331,0.106797082,0.101711507,1.75106321,1.313836026,0.917293906,0.896025558,0.673225779,1.273681485,0.908087726,0.864845453,1.77771683,1.319968499,0.924164525,0.906299736,0.659207817,1.258443404,0.897223538,0.854498608,1.141304348,1.488021295,1.186956522,1.230179028,1.655279503,0.411067194,0.329710145,0.345410628,50.95846713,25.60423356,40.42777551,51.15291157,5.683656841,25.60423356,0.25,1.67E-16,1.85E-17,-32.69820192,2000020.421,222224.4912,13.05780115,50.97173537,25.61050047,40.43911382,51.1656086,5.685067622,25.61050047,0.249265579,3.33E-16,3.70E-17,-32.07436945,2000020.417,222224.4908,13.05780115,62.7405465,31.17077601,50.66004541,62.43021746,6.936690829,31.17077601,-0.398994478,1.67E-16,1.85E-17,-32.69820192,2000018.393,222224.2659,13.05780024,50.98566065,25.61707772,40.4510142,51.17893438,5.686548265,25.61707772,0.2484948,1.22E-15,1.36E-16,-30.90501477,2000020.413,222224.4903,13.05780115,75.23559396,37.07664985,61.71889494,74.39380953,8.265978837,37.07664985,-1.082294264,1.11E-16,1.23E-17,-33.06312051,2000017.681,222224.1868,13.05779992,52.34806395,26.26059907,41.6181394,52.48272387,5.831413763,26.26059907,0.173134186,1.67E-16,1.85E-17,-32.69820192,2000020.019,222224.4465,13.05780097,50.74494334,25.57782881,40.12725164,51.06438778,5.673820865,25.57782881,0.410714286,1.11E-16,1.23E-17,-33.06312051,2000022.808,222224.7564,13.05780223,0,11.89,15.99491664,-0.380642287,0.051850292,5.00828721,6.581505328,8,26,26,26,8,0,0,0,0,0,21.593726,3.465438185,3.293101695,2.917444509,2.575531306,2.0671084,1.759359301,1.332141826,1.220696104,1.846632159,1.788607438,1.451939556,1.320282095,0.932724449,0.837753104,0.589325285,0.566353487,3.439758981,3.327366954,2.882268378,2.629759571,2.069163496,1.845382634,1.408988447,1.338291939,1.808351284,1.718100381,1.406428227,1.220685282,0.839012481,0.705472272,0.445635721,0.412887556,3.610236306,3.476869653,3.128006889,2.862981141,2.413164732,2.201803,1.863060837,1.803255548,1.593107931,1.506432068,1.101091701,0.908182925,0.421709921,0.26821579,0.072663456,0.113595148,3.449085427,3.352557552,2.891901666,2.669494685,2.101978711,1.907707617,1.480644895,1.422104473,1.786166238,1.672812438,1.374838326,1.155529416,0.776134757,0.617228045,0.349102434,0.309185444,3.659721755,3.548797436,3.199528888,2.972328688,2.535943919,2.361009518,2.047362508,2.001016242,1.540352218,1.439200858,1.027443313,0.80489372,0.29843491,0.115186524,0.255123328,0.306708511,3.655003242,3.399286897,3.197268447,2.770009804,2.386720929,2.012060015,1.681346336,1.549361399,1.679244194,1.613435464,1.153809952,1.027298392,0.567213272,0.476701829,0.175942388,0.151743969,0,0,0,0,0,4,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.949747468,4.414213562,2.767766953,1.707106781,1.030330086,0.603553391,0.338388348,0.176776695,0.772194163,0.551776695,0.395395279,0.284517797,0.206066017,0.150888348,0.112796116,0.088388348,6.650888978,3.991563832,2.319479217,1.28445705,0.594861352,0.348461713,0.195368604,0.102062073,0.738987664,0.498945479,0.331354174,0.214076175,0.11897227,0.087115428,0.065122868,0.051031036,13.59124934,26.32119446,24.87843137,25.24,15.66722994,208.6661222,0.503379605,0.974859054,0.921423384,0.934814815,0.580267776,7.728374895,2.6032,40.635,27.74218932,44.32390806,55.48437864,6.16493096,27.74218932,1.22E-15,1.36E-16,-30.90501477,2000019.329,222224.3699,13.05780066,96,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,0,0,0,0,0,0,0,0,0,0,0,2,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.314444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.527222222,0,0,0,0,0,0,0,0,0,0,0,4.367422052,0,6.818133503,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.314444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.314444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,2.183711026,0,0.954861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.314444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.314444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.183711026,0,1.2421875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.314444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.5,1.833333333,0.45,5.314444444,0.072777778,0.954861111,5.173066675,0.545138889,1.814444444,4.363732993,0.545138889,1.814444444,4.363732993,4.33333,0.48148,0,0.01852,0.46173,0.78519,0.42414,0.46173,0.78519,0.03759,0,-0.03759,0,0.61321,0.10108,0,0.23077,0,0,4.5,0.5,4.5,0.5,0,0,-4.5,-0.5,0,0,8.21793,0.9131,9.36685,1.14892,0.12766,3.90492,0.43388,4.41421,0.50929,0.05659,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,8.01,1,1,1,1,0,0,1,1.086048612,1.530493057,2.698969909,2.995266206,2.995266206,2.643052317,29.32331253,41.32331253,72.87218755,80.87218755,80.87218755,71.36241255,0.228406794,0.321877869,0.56762014,0.62993419,0.62993419,0.555860116,3.66883889,3.224394445,2.055917593,1.759621296,1.759621296,2.111835186,0.231052556,0.325606358,0.574195197,0.637231065,0.637231065,0.56229895,9.449442117,14.78277545,17.58886604,17.88748086,17.88748086,13.66091419,33.3868056,24.89891669,23.44505928,22.55037779,22.55037779,29.89674446,9,8,8,9,0,4,2.23,1.2945,0.125,3.651344599,0,0,6.120463943,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.296,0.29,0.312,0.054,4.126,7,6,5,4,3,2,1,0,0,45,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0.75,8,1,0,4,8,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0,0,0,0.0625,0.031746032,0.020833333,0.016,0.013888889,0.013605442,0.015625,0,0,0,0.174198696,27.74218932,44.32390806,55.48437864,6.16493096,27.74218932,1.22E-15,1.36E-16,-30.90501477,2000019.329,222224.3699,13.05780066,9.23,155.7145624,4.169925001,3.433987204,4.043051268,4.672828834,5.303304908,5.942799375,6.580639137,7.22329568,7.863651265,8.507344855,70.57090253,2.833213344,0,3.80666249,0,4.919980926,0,6.098074282,0,7.311218384,7.671360923,130.1357652,4.819843155,16.82976754,1.869974171,2.926776695,2.926776695,0,120,6,2.72,30,1.229846154,2.108219918,2.836106282,3.591092491,4.840795366,5.859202784,6.994814968,8.081698951,9.35859619,10.35144023,80.75641399,71.4898281,75.76125336,100.5914115,113.9485351,137.9253842,106.7544209,95.70632572,46.57505044,10.51772576,269.9070902,294.0572933,312.0692994,409.1200582,530.0641715,726.4398247,643.9023041,664.1570217,570.4674733,321.7615225,9.216726363,15.60659065,20.54952201,26.425737,35.60535935,41.27340085,48.53303466,55.88996287,64.20940801,69.54577852,1.982662472,2.391105486,2.641930153,3.412234324,4.494251261,6.43724745,6.145216519,6.610413175,6.3965163,4.602383909,179.08764,335.8338895,474.1548388,596.1063761,817.8860743,936.2695952,1174.384143,1370.172824,1624.310637,1914.164022,2.729076923,3.985578956,4.796846946,6.749260802,8.336148103,9.097622795,9.785117219,11.42569421,12.70058858,10.35144023,0.4343925,0.542064508,0.607515412,0.79816237,1.027385584,1.373760198,1.330166189,1.440263264,1.418178402,1.059987479,449.7359071,305.1558466,13.39782122,157.8996211,-107.1384156,-12.69044606,291.8362861,412.2942622,26.08826728,0.740140901,0.502202114,0.022049108,0.259859099,-0.176320196,-0.020884964,273.2755155,185.423534,8.140992174,95.94541967,-65.10110778,-7.711165896,0.082998274,0.560956374,1.404610241,5.942849044,597.0413906,10.59413765,0.98256498,0.01743502,567.8492127,23.82958692,8.28090259,742.2158622,27.24363893,9.054060883,893.4823334,29.89117484,9.631530921,2.963611645,2.963611645,1321.346016,1294.415535,53.64757628,1.020805128,24.63011579,24.12812702,4.666897836,5.518792456,11.03420458,0.999387487,5.020210154,6.456705946,5.633233055,22.48463129,6.909162783,0.95205965,10.59522759,11.8384238,8.174381212,3.861202733,5.472863937,2.34088928,6.147330836,1.931870217,3.997106754,4.60441436,2.161850447,1.312162633,2.217781539,0.221160189,2.271338053,7.56E-10,6.19E-41,9.78E-94,2.98E-168,1.75E-264,0,0,0,0,0.42131169,6.71049312,0.514430003,4.910400625,0.05276751,0.821066154,0.921277449,0.39161092,0.413726032,0.431635982,3.623173493,0.036114885,0.206895172,0.027889805,0.066644695,2.062558818,0.081231984,0.11269251,0.015702278,0.018560364,0.01599722,5.32E-12,4.36E-43,6.89E-96,2.10E-170,1.23E-266,0,0,0,0,1.360044806,6.23804201,1.148501082,6.5373556,0.517641575,0.809713459,2.159346108,1.609211283,0.981471138,0.747718103,3.999586981,0.222235666,0.813372331,0.17709475,0.392260328,2.314778459,0.328249499,0.321753076,0.162858856,0.059915169,0.166703362,5.55E-11,4.54E-42,7.18E-95,2.19E-169,1.29E-265,0,0,0,0,4.738668945,6.709780699,6.292895225,21.21009855,6.158767169,0.947788847,11.12270205,10.8035224,7.436461658,4.849813958,5.359221173,2.099205114,5.569246206,1.73060465,3.587854693,4.354479891,1.971618799,1.226075264,1.976015807,0.208757124,2.023721313,6.73E-10,5.52E-41,8.72E-94,2.66E-168,1.56E-264,0,0,0,0,2.004455698,6.05852415,1.422194058,8.154102891,1.114283508,0.814117708,2.878033234,2.761648118,1.677974573,0.740380655,4.258323836,0.434426044,1.409661269,0.35061338,0.757320066,2.56708649,0.550576467,0.47588949,0.353646678,0.088303987,0.362101979,1.20E-10,9.87E-42,1.56E-94,4.75E-169,2.79E-265,0,0,0,0,6.062630802,6.617158238,7.784517153,29.72972154,10.06297347,1.024567029,14.40386704,16.36400265,11.54731895,5.639320686,5.894092974,3.349946549,8.531170627,2.773242469,5.703851889,5.6369069,2.937562788,1.645276106,3.234371753,0.267083211,3.312533086,1.10E-09,9.03E-41,1.43E-93,4.35E-168,2.56E-264,0,0,0,0,3.168574716,6.909830572,5.577181003,13.25927864,2.62698833,0.782394806,8.680652972,5.335013645,3.777999032,5.117807167,4.577190841,0.934929867,2.668977261,0.771550741,1.608501709,3.453697706,0.981260118,0.913254137,0.839985951,0.167505557,0.860151689,2.86E-10,2.34E-41,3.70E-94,1.13E-168,6.64E-265,0,0,0,0,12.04106353,0.766799472,0.490919567,0.905426002,0.057659374,0.588004747,0.573534317,0.59257534,13.29878257,15.52071172,33.35219449,0.858139003,1.754114404,9.844451613,0.311479372,0.102593599,0.959636206,0.03036298,0.393037686,0.094635565,0.025879949,10.25852458,4.108277117,14.68138893,0.939454309,0.5135532,11.13316489,0.502966568,0.264208033,0.935533385,0.042264892,0.502676312,0.246759588,0.171638585,11.9003395,8.673969148,22.05377052,0.903300078,0.921074484,11.84370005,0.747949677,0.475338484,0.906383312,0.057239638,0.568886905,0.545683166,0.555557281,13.06698821,14.84378732,32.1215575,0.859574968,1.670127351,11.61099258,0.58957899,0.337797515,0.926036911,0.047021984,0.54675131,0.339062528,0.280566484,12.53836909,10.96692003,25.81771487,0.889055367,1.166380321,12.10475676,0.797211605,0.517243302,0.902046786,0.059408229,0.5942419,0.619930526,0.657828432,13.41921166,16.32350927,34.73414598,0.85307018,1.872000858,11.97240438,0.753963982,0.480141969,0.906553213,0.057090326,0.581318161,0.554494186,0.56684227,13.20651033,15.13722525,32.67786271,0.85982982,1.702654617 +UMLYSI0263,L,3-heptanol,CCCCC(CC)O,saturated alcohols,C7H16O,589-82-2,11520,PubChem,,38.5,0,-1.5601,2.43391201,29.4063,23.790688,0,0,24,8,16,0,7,0,1,0,0,0,0,0,0,0,1282.073872,1255.482027,1434.613415,1317.649966,958.995456,705.814919,341.064025,87.883488,9.144576,3678.349,4646.893789,5984.309997,5928.880305,4878.270193,3635.029318,2397.91674,1154.675865,279.7536999,173.630752,171.512628,312.366956,412.664008,369.770952,298.228772,215.024932,143.482752,60.466176,27.27931048,35.31067264,49.44268478,51.58664939,43.76331863,33.80239312,23.31138494,13.35045943,4.001516144,4031.694211,3396.131957,6803.082927,9546.238538,8622.082183,7174.122259,5140.459991,3692.500067,1664.258868,70.77777778,53.83333333,84.83333333,113.9166667,100.5833333,75,56,27,9,53.41974467,54.58617509,33.36310267,23.11666607,18.80383247,16.80511712,11.36880083,4.184928,1.016064,153.2645417,202.0388604,139.1699999,104.0154439,95.65235673,86.54831709,79.93055801,54.98456499,31.08374443,7.234614667,7.457070783,7.264347814,7.239719439,7.250410824,7.100685048,7.167497733,6.832512,6.718464,1.136637937,1.535246636,1.149829879,0.905028937,0.858104287,0.804818884,0.777046165,0.635736163,0.444612905,167.9872588,147.6579112,158.2112309,167.4778691,169.060435,170.8124347,171.3486664,175.8333365,184.917652,2.949074074,2.34057971,1.972868217,1.998538012,1.972222222,1.785714286,1.866666667,1.285714286,1,0.229647993,-0.111706758,-0.004166278,0.007093291,-0.023184238,0.026900572,-0.02780869,0.013266198,0.004781906,719.4334713,-66.68627803,-165.9667625,-42.75752475,-163.8571659,50.4969865,-158.7923228,55.56182958,132.2845022,1116.273633,-77.08945916,-398.4110344,-80.24565637,-149.9637263,51.23216586,-154.2522844,46.94360776,203.6495705,1.103039333,-0.085166694,-0.004600806,-0.13243375,-0.285011917,-7.75E-05,-0.200359833,0.084574583,0.07155625,4.928582618,-0.238116022,-2.063061967,-0.449273178,-0.329852499,0.078538009,-0.335708388,0.07268212,0.800500616,27.13388615,-1.139693072,-11.69347632,-2.661942598,-1.311096882,0.154584593,-1.278291467,0.187390007,4.175582665,24.48148148,-3.651234568,-0.737654321,-1.12962963,-6.592592593,1.851851852,-4.185185185,0.842592593,1.361111111,0.009568666,-0.004856816,-9.69E-05,1.24E-04,-4.55E-04,6.40E-04,-9.27E-04,6.32E-04,5.31E-04,29.97639464,-2.899403393,-3.859692151,-0.750132013,-3.212885606,1.202309202,-5.293077428,2.645801409,14.69827803,46.51140137,-3.351715616,-9.265372894,-1.407818533,-2.940465221,1.219813473,-5.141742812,2.235409894,22.62773006,0.045959972,-0.0037029,-1.07E-04,-0.002323399,-0.005588469,-1.85E-06,-0.006678661,0.004027361,0.007950694,0.205357609,-0.010352871,-0.047978185,-0.007881986,-0.006467696,0.001869953,-0.01119028,0.003461053,0.088944513,1.130578589,-0.049551873,-0.27194131,-0.046700747,-0.025707782,0.003680586,-0.042609716,0.008923334,0.463953629,1.020061728,-0.158749329,-0.017154752,-0.019818064,-0.129266521,0.044091711,-0.139506173,0.040123457,0.151234568,-0.507574972,-0.010125778,0.013005334,-0.04750849,0.066936163,-0.096874139,0.066020039,0.05552737,-0.096722886,-0.128757717,-0.025024091,-0.107180521,0.040108533,-0.176574851,0.088262829,0.490328414,-0.072062237,-0.199206487,-0.030268246,-0.06322031,0.026226117,-0.110548009,0.048061547,0.486498566,-0.080567929,-0.002328014,-0.050552666,-0.121594263,-4.01E-05,-0.145314733,0.087627579,0.172991716,-0.050413864,-0.233632372,-0.038381756,-0.031494796,0.009105835,-0.054491673,0.016853787,0.433120123,-0.043828773,-0.240532867,-0.041306945,-0.022738607,0.003255488,-0.037688415,0.007892714,0.410368314,-0.155627179,-0.016817366,-0.019428298,-0.126724215,0.043224552,-0.136762481,0.039334342,0.148260212,1.442861058,0.748637749,1.045567945,1.337388782,0.926018935,1.212286225,0.359866016,3.78E-07,1.429336028,1.220490985,1.007934397,1.078130465,0.822185192,1.068805704,0.552918833,0,1.565389987,1.384925378,0.967946802,0.955291758,0.822484806,0.936375794,0.662655049,0,1.046221984,0.817007446,1.222199485,1.413461977,0.847010852,1.266521532,0.070644806,0,1.609800468,1.448059909,0.971045409,0.913515773,0.826660671,0.865315475,0.670948,0,1.613537024,1.456685774,0.976963964,0.909412644,0.828440574,0.849586767,0.662002966,0,1.132375189,0.81689125,1.185345171,1.419974192,0.803409337,1.276134644,0.134212233,0,38.46242417,19.35621208,30.07019669,38.64992417,4.831240521,19.3562121,0.25,0.09504746,0.011880932,-1.88270315,70.69927435,8.837409294,3.406748247,38.46550572,19.35738565,30.07147667,38.6524549,4.831556863,19.35738566,0.249265579,0.095011426,0.011876428,-1.883006494,70.63781249,8.829726561,3.406052471,41.27484564,20.43792558,31.2712277,40.97559978,5.121949972,20.43792558,-0.398994478,0.05892477,0.007365596,-2.265194983,45.88556311,5.735695389,3.060920431,38.4687401,19.35861745,30.07282021,38.6551112,4.8318889,19.35861746,0.2484948,0.0949736,0.0118717,-1.883325058,70.57350652,8.821688315,3.40532385,44.38924026,21.653473,32.69803439,43.57751956,5.447189945,21.653473,-1.082294264,0.006089243,7.61E-04,-4.080985191,37.1641482,4.645518525,2.892275631,38.78632169,19.47972794,30.20514397,38.91617233,4.864521541,19.47972795,0.173134186,0.091227815,0.011403477,-1.915516348,65.12000479,8.140000599,3.340985436,42.48169042,21.53052775,34.27390196,42.91621423,5.364526778,21.53052775,0.579365079,0.086708841,0.010838605,-1.956159541,38.35871831,4.794839789,2.91758547,0,11.89,15.99491639,-0.392500602,0.065160781,4.817523156,7.326582125,7,23,23,23,7,0,0,0,0,0,17.491312,3.511921412,3.184245566,2.73005794,2.362776314,1.792357877,1.656373327,1.255660978,0.86330264,1.889056181,1.70121949,1.410099365,1.070598819,0.811513568,0.635416913,0.550222332,0.285155847,3.512006005,3.206897644,2.764657698,2.317020909,1.801523006,1.62959254,1.353175498,0.945818557,1.842463684,1.632959419,1.32388445,1.005206577,0.683161912,0.59259267,0.420862095,0.14745073,3.651405896,3.377910511,2.993240021,2.645262968,2.192336673,2.107850322,1.822004385,1.496564783,1.653639473,1.398154029,1.023090861,0.617624965,0.230952146,0.046602067,0.114144028,0.451354148,3.525738493,3.230431546,2.79854064,2.33890183,1.859353806,1.638582874,1.424033399,1.01676525,1.814134458,1.589276189,1.268665777,0.968351493,0.606634137,0.543746412,0.321787589,0.045294298,3.702948273,3.451682822,3.091203618,2.73877435,2.337256769,2.244259416,2.013952639,1.70400241,1.60254588,1.327688613,0.928423079,0.514669975,0.076990985,0.083731561,0.298281548,0.654769785,4.374387663,3.432482286,3.231510133,2.861877066,2.259586973,1.96229225,1.589608285,1.269768458,1.750973264,1.471890015,1.108539093,0.705916583,0.432209309,0.188911477,0.02341322,0.347398669,0,0,0,0,0,2,5,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.129099445,0,0,0,0.49279928,0.348461713,0.288675135,0.220386538,0.155836815,0.129099445,6.405777394,3.808060412,2.655648531,1.747400241,0.756710003,0.49279928,0.144337567,0,0.800722174,0.54400863,0.379378362,0.291233373,0.189177501,0.164266427,0.144337567,0,5.852990989,3.488909033,2.204300322,1.362150446,0.643872951,0.379962228,0.144337567,0,0.731623874,0.498415576,0.314900046,0.227025074,0.160968238,0.126654076,0.144337567,0,12.04942153,23.43335761,22.15294118,22.48,13.86867545,185.6378671,0.502059231,0.9763899,0.923039216,0.936666667,0.577861477,7.734911128,1.9475,35.8228,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,63,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.535,0,8.989027778,0,0,0,0,0,0,0,0,0,0,0.535,0,0,0,0,0,0,0,0,0,0,0,0,0,2.065,0,0,0,0,0,0,0,0,0,0,0,4.155462963,0,4.235185185,0,0,0,-0.046342593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.989027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.535,0,8.989027778,0,0,0,0,0,0,0,0,0,0,0.535,0,0,0,0,0,0,0,0,0,0,0,0,0,0.227777778,0,0,0,0,0,0,0,0,0,0,0,2.014212963,0,0.902777778,0,0,0,-0.046342593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.989027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.535,0,8.989027778,0,0,0,0,0,0,0,0,0,0,0.535,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.14125,0,1.191527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.989027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.33333333,2.166666667,0.535,8.989027778,0.227777778,-0.046342593,3.816823657,1.379675926,2.989027778,6.288981481,1.379675926,2.989027778,6.288981481,3.83333,0.47917,0,0.02083,0.46528,0.79583,0.42308,0.46528,0.74074,0.0422,0,-0.0422,0.05509,0.60209,0.1122,0,0.34783,0.13043,0,3.75,0.46875,3.75,0.46875,0,0,-3.75,-0.46875,0,0,7.58719,0.9484,8.4771,0.88991,0.11124,3.52648,0.44081,3.80805,0.28157,0.0352,0.10595,0.01324,0.10595,0.01324,0,7.01,1,1,1,1,1,1,1,1.099483982,1.726489212,2.855388542,3.522055209,3.371653522,2.930613418,26.38761556,41.43574108,68.52932501,84.52932501,80.91968454,70.33472204,0.239802175,0.376554707,0.622772496,0.768175358,0.735372104,0.639179365,3.485478519,2.858473289,1.729573959,1.062907292,1.213308978,1.654349082,0.243057129,0.381665871,0.631225696,0.778602182,0.745353674,0.647855262,9.670323248,14.72268506,19.52447638,20.19635974,17.86700801,16.58432906,29.54361368,23.14733818,18.45313334,16.61654167,19.81265355,17.7340822,8,5.142857143,5,8,0,7,2.12,1.1536,0.166666667,3.1345913,0.707106781,0,3.14734519,2.555772417,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,3.889,7,6,4,3,1,0,0,0,0,36,2.079441542,2.079441542,1.945910149,1.609437912,1.386294361,0.693147181,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,7,1,0,3,6,1,1.5,0.666666667,0.25,0.16,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.041666667,0.04,0.018518519,0,0,0,0,0,0.409708995,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,20.23,138.4185778,4,3.36729583,4.007333185,4.691347882,5.361292166,6.052089169,6.72982407,7.422373701,8.102586425,8.795582217,69.52972465,2.708050201,0,3.761200116,0,4.990432587,0,6.289715571,0,7.623153068,7.934871566,116.1201151,4.83833813,14.66013744,1.832517181,2.433864819,2.433864819,0,76,6,2.238,28,1.225086957,2.123823134,2.850397896,3.531169391,4.702793917,5.735461712,6.853125156,8.149714457,0,0,78.47908308,79.48959558,75.66372826,82.79190323,93.35261366,75.79748469,31.71662725,8.28063147,0,0,273.3612548,316.86494,321.865224,389.3068367,450.626049,500.2675838,399.7207862,253.3236414,0,0,9.161889003,15.50788554,20.71321967,25.67131246,33.53672627,41.18784318,46.93335457,54.75356319,0,0,2.019873764,2.562972757,2.724158533,3.371469343,4.060856599,4.753154238,4.539937107,3.623468219,0,0,178.4547259,332.6487495,474.2393823,585.2242785,794.287917,971.6305915,1196.302163,1507.026062,0,0,2.919456522,4.355811261,5.844783266,7.106109623,8.727911707,10.9100609,9.084967184,8.149714457,0,0,0.435339417,0.569659895,0.622705614,0.766969124,0.922499139,1.08107052,1.008861479,0.83453076,0,0,385.8306439,264.0922429,12.39542157,182.6388697,-125.0121251,-18.72881788,203.1917742,389.104368,31.12423944,0.678718268,0.464567117,0.021804901,0.321281732,-0.21990999,-0.032946037,219.3329584,150.1283888,7.046419269,103.8246294,-71.06558194,-10.64676199,0.306976219,0.573404933,3.578826822,13.57016474,533.1452575,35.32425597,0.937860773,0.062139227,470.1693138,21.68338797,7.77591361,633.5057871,25.16954086,8.588490946,784.8985109,28.01604024,9.224393796,2.458826014,2.458826014,733.3558305,690.4204153,81.83661489,1.062187349,8.961219027,8.436571041,4.327417941,4.466158665,8.836778877,0.978608361,4.897845711,6.073884414,3.578280156,21.11938548,10.74154487,0.863393929,4.882919738,10.67811177,8.853706859,2.08613634,2.611260011,7.561028204,4.322884441,0.860264763,2.474850258,0.241081057,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.430947302,6.200672024,0.270891244,6.279697153,0.47860605,0.032009133,0.53175099,0.463540265,3.152653718,0.057642225,0.120377961,0.341267531,0.148779883,0.859561027,0.112752628,0.00169802,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.271701343,5.96445379,0.802579649,7.13688932,1.147795969,0.096502212,1.222405778,1.70182022,3.846009685,0.255086194,0.311482593,1.269832107,0.621296789,0.859696005,0.426540802,0.017694156,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,4.846124884,6.20041024,3.536960695,20.45208755,9.735029394,0.852773836,4.578258246,9.922675273,8.419601369,1.904658208,2.673567085,6.926186272,3.933091809,0.860218614,2.270681911,0.214798927,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,1.807352978,5.874704134,1.15642779,8.21968586,2.036106489,0.152365243,1.747374489,2.760713531,4.450215725,0.450042769,0.453970777,2.069126671,1.058348264,0.859791238,0.691937989,0.038433908,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,6.095488213,6.154159076,4.627981947,27.92221602,15.34854617,1.251864759,6.214246624,14.48420224,10.92497007,2.921635621,3.803201972,10.13053264,5.918549787,0.860439114,3.298422411,0.351593848,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,4.330461811,6.414757862,2.984159798,16.82105732,5.192803707,0.765721681,2.904273091,5.985777005,6.409475571,0.979224536,2.807032222,4.249266125,1.94602901,1.312116045,1.417125076,0.091969833,0.053152368,6.02E-20,1.31E-59,5.54E-121,4.50E-204,0.00E+00,0,0,0,0,0,0,0,0,7.184114542,0.817953456,0.576558803,0.837443417,0.095347831,0.539015512,0.495745646,0.497325469,8.5786268,10.48993406,22.45657681,0.756165126,1.532086627,5.801151478,0.550874953,0.168031272,0.889739285,0.084489276,0.352876642,0.200427742,0.035829342,6.520057703,4.263048129,11.32008489,0.834608927,0.589133726,6.553114647,0.589946329,0.334252327,0.876399635,0.078898169,0.448642578,0.255038823,0.164685438,7.477313302,6.253570679,15.02309877,0.814599452,0.868366839,7.074153758,0.827732341,0.562507562,0.835754342,0.097789915,0.522726834,0.491725675,0.45350442,8.46439366,10.30037653,22.05853651,0.753631514,1.467956929,6.848264839,0.630761126,0.407660547,0.868332325,0.079977963,0.489792416,0.308343455,0.260380049,7.886686512,7.368523058,17.01614791,0.802498488,1.05851592,7.236485079,0.852047486,0.605503651,0.832350464,0.098003673,0.546908126,0.532940465,0.542216308,8.694036216,11.06346492,23.49093305,0.748525696,1.622064899,7.105310401,0.828936814,0.563952646,0.83609594,0.097542636,0.527339343,0.493022381,0.455663837,8.498199861,10.36439308,22.18419133,0.75414391,1.476025562 +UMLYSI0264,L,4-heptanol,CCCC(CCC)O,saturated alcohols,C7H16O,589-55-9,11513,PubChem,,38.5,0,-1.5601,2.43391201,29.4063,23.790688,0,0,24,8,16,0,7,0,1,0,0,0,0,0,0,0,1282.073872,1255.482027,1434.613415,1317.649966,1123.941429,597.292754,287.688409,84.835296,9.144576,3678.349,4646.893789,5984.309997,5928.880305,5015.333193,3734.408849,2254.725443,1061.424631,279.7536999,173.630752,171.512628,312.366956,412.664008,369.9345,306.722504,226.523044,123.32736,60.466176,27.27931048,35.31067264,49.44268478,51.58664939,43.89895924,34.60614916,23.70582701,12.01662072,4.001516144,4031.694211,3396.131957,6803.082927,9546.238538,8622.036339,7143.172872,5726.208178,3137.747111,1664.258868,70.77777778,53.83333333,84.91666667,111.1666667,107.25,87,43,24,9,53.41974467,54.58617509,33.36310267,23.11666607,22.03806724,14.22125605,8.717830576,4.713072,1.016064,153.2645417,202.0388604,139.1699999,104.0154439,98.33986653,88.9144964,68.32501342,58.96803508,31.08374443,7.234614667,7.457070783,7.264347814,7.239719439,7.253617647,7.302916762,6.864334667,6.85152,6.718464,1.136637937,1.535246636,1.149829879,0.905028937,0.860763907,0.823955932,0.718358394,0.66759004,0.444612905,167.9872588,147.6579112,158.2112309,167.4778691,169.0595361,170.0755446,173.5214599,174.3192839,184.917652,2.949074074,2.34057971,1.974806202,1.950292398,2.102941176,2.071428571,1.303030303,1.333333333,1,0.229836313,-0.111525961,-0.006215373,-0.001494837,0.026502838,-0.055034955,0.029801746,-0.001716063,0.004764449,719.4334713,-66.68627803,-165.9667625,-42.75752475,1.088807083,-329.0516412,99.90516592,11.4669955,132.2845022,1116.273633,-77.08945916,-398.4110344,-80.24565637,-12.90072674,-287.5649863,115.3650585,-20.9395824,203.6495705,1.103039333,-0.085166694,-0.004600806,-0.13243375,-0.121463917,-0.461442167,0.121308917,0.0607225,0.07155625,4.928582618,-0.238116022,-2.063061967,-0.449273178,-0.19421189,-0.477265357,0.351287908,-0.194151419,0.800500616,27.13388615,-1.139693072,-11.69347632,-2.661942598,-1.356940851,-1.352112053,1.666110037,-1.204470881,4.175582665,24.48148148,-3.651234568,-0.654320988,-3.87962963,1.462962963,-9.759259259,2.490740741,0.388888889,1.361111111,0.009576513,-0.004848955,-1.45E-04,-2.62E-05,5.20E-04,-0.001310356,9.03E-04,-9.53E-05,5.29E-04,29.97639464,-2.899403393,-3.859692151,-0.750132013,0.021349158,-7.834562885,3.02742927,0.637055306,14.69827803,46.51140137,-3.351715616,-9.265372894,-1.407818533,-0.252955426,-6.846785388,3.495910863,-1.163310133,22.62773006,0.045959972,-0.0037029,-1.07E-04,-0.002323399,-0.002381645,-0.010986718,0.003676028,0.003373472,0.007950694,0.205357609,-0.010352871,-0.047978185,-0.007881986,-0.003808076,-0.011363461,0.010645088,-0.01078619,0.088944513,1.130578589,-0.049551873,-0.27194131,-0.046700747,-0.026606683,-0.032193144,0.050488183,-0.066915049,0.463953629,1.020061728,-0.158749329,-0.015216767,-0.068063678,0.028685548,-0.232363316,0.075476992,0.021604938,0.151234568,-0.506338249,-0.015093549,-0.002738492,0.054264375,-0.136830188,0.094301883,-0.009955277,0.055279333,-0.096722886,-0.128757717,-0.025024091,7.12E-04,-0.261357744,0.100993775,0.021251899,0.490328414,-0.072062237,-0.199206487,-0.030268246,-0.005438568,-0.147206603,0.07516245,-0.02501129,0.486498566,-0.080567929,-0.002328014,-0.050552666,-0.051819993,-0.239049715,0.079983246,0.073400223,0.172991716,-0.050413864,-0.233632372,-0.038381756,-0.018543634,-0.055334988,0.051836833,-0.052523936,0.433120123,-0.043828773,-0.240532867,-0.041306945,-0.023533688,-0.028474928,0.044656942,-0.059186552,0.410368314,-0.155627179,-0.014917496,-0.066725058,0.028121385,-0.227793387,0.073992573,0.02118003,0.148260212,1.442561157,0.753167158,1.055366258,1.246010232,1.676407425,0.423585066,0.130282669,0,1.429336028,1.220490985,1.007934397,0.974733274,1.250405875,0.586429065,0.645071972,0,1.565389987,1.384925378,0.967946802,0.899917588,1.006352181,0.702815961,0.773097557,0,1.046221984,0.817007446,1.222199485,1.346594968,1.773994072,0.07492631,0.082418941,0,1.609800468,1.448059909,0.971045409,0.901104242,0.900690964,0.711611515,0.782772667,0,1.613537024,1.456685774,0.976963964,0.910174596,0.882693898,0.702124358,0.772336794,0,1.132375189,0.815070541,1.230671232,1.267998576,1.778312081,0.078290469,0.156580938,0,38.04087601,19.145438,29.24327268,38.22837601,4.778547001,19.14543802,0.25,7.33E-17,9.16E-18,-29.72197861,3000010.71,375001.3387,11.93130113,38.04389565,19.14658061,29.24441529,38.23084483,4.778855604,19.14658063,0.249265579,5.51E-17,6.89E-18,-29.94948279,3000010.71,375001.3387,11.93130113,40.80535422,20.20317987,30.30101455,40.50610837,5.063263546,20.20317988,-0.398994478,2.63E-17,3.29E-18,-30.540438,3000010.71,375001.3387,11.93130113,38.04706507,19.14777994,29.24561462,38.23343617,4.779179522,19.14777995,0.2484948,1.28E-16,1.59E-17,-29.27833065,3000010.71,375001.3387,11.93130113,43.88094187,21.3993238,31.49715848,43.06922117,5.383652647,21.3993238,-1.082294264,1.26E-16,1.58E-17,-29.28529882,3000010.71,375001.3387,11.93130113,38.35839753,19.26576586,29.36360054,38.48824817,4.811031021,19.26576587,0.173134186,4.90E-16,6.12E-17,-28.20217856,3000010.71,375001.3387,11.93130113,42.15065676,21.36501092,33.57851692,42.58518057,5.323147572,21.36501092,0.579365079,2.74E-17,3.43E-18,-30.50776674,3000010.301,375001.2876,11.93130102,0,11.89,15.99491639,-0.392490852,0.055137027,4.896114916,7.483758374,7,23,23,23,7,0,0,0,0,0,17.491312,3.516316588,3.158726067,2.801959364,2.18392002,2.044737642,1.459663282,1.33214981,0.859151293,1.886970525,1.708882991,1.39397365,1.091617933,0.801733035,0.62252576,0.5627105,0.284796133,3.513967201,3.197240258,2.791487991,2.253323613,1.922816025,1.465353982,1.442861713,0.943574927,1.84256064,1.631733601,1.331104952,0.975709625,0.758288996,0.489226716,0.473240653,0.146650209,3.65383563,3.364701014,3.031837845,2.546003084,2.362019793,1.948426891,1.884943921,1.494705052,1.653634501,1.397661851,1.026839193,0.601565151,0.275535702,0.035334264,0.063161842,0.452277259,3.526746659,3.225530555,2.812715545,2.303876515,1.930747531,1.522049418,1.495358818,1.015258007,1.815421754,1.581957035,1.292614843,0.899064477,0.736828187,0.415110948,0.37260324,0.044225079,3.704241875,3.444790866,3.112718386,2.679762813,2.455232655,2.109698713,2.074844725,1.702696783,1.603546496,1.322620074,0.943840444,0.474040332,0.16237822,0.216612435,0.220196471,0.656174502,4.373967337,3.396528077,3.313056928,2.731379453,2.426571596,1.826341195,1.647890946,1.265596921,1.747735606,1.484232502,1.082030457,0.746757913,0.386988747,0.215352584,0.018582302,0.347406482,0,0,0,0,0,2,5,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.129099445,0,0,0,0.40824829,0.552585858,0.288675135,0.182574186,0.247123908,0.129099445,6.405777394,3.808060412,2.682521985,1.562948829,1.129936127,0.288675135,0.144337567,0,0.800722174,0.54400863,0.383217426,0.260491471,0.225987225,0.144337567,0.144337567,0,5.852990989,3.488909033,2.231173775,1.243797449,0.810784748,0.288675135,0.144337567,0,0.731623874,0.498415576,0.318739111,0.207299575,0.16215695,0.144337567,0.144337567,0,12.04942153,23.43335761,22.15294118,22.48,13.86867545,185.6378671,0.502059231,0.9763899,0.923039216,0.936666667,0.577861477,7.734911128,1.9475,35.8228,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,1.78E-17,2.23E-18,-30.85223121,3000010.71,375001.3387,11.93130113,61,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.522777778,0,9.049166667,0,0,0,0,0,0,0,0,0,0,0.522777778,0,0,0,0,0,0,0,0,0,0,0,0,0,2.077222222,0,0,0,0,0,0,0,0,0,0,0,4.192222222,0,4.128981481,0,0,0,-0.037037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.049166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.522777778,0,9.049166667,0,0,0,0,0,0,0,0,0,0,0.522777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,2.096111111,0,0.966111111,0,0,0,-0.037037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.049166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.522777778,0,9.049166667,0,0,0,0,0,0,0,0,0,0,0.522777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.096111111,0,1.09837963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.049166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.33333333,2.166666667,0.522777778,9.049166667,0.24,-0.037037037,3.785468333,1.37037037,3.049166667,6.482777778,1.37037037,3.049166667,6.482777778,3.83333,0.47917,0,0.02083,0.46528,0.79583,0.42308,0.46528,0.74074,0.0422,0,-0.0422,0.05509,0.60209,0.1122,0,0.34783,0.13043,0,3.75,0.46875,3.75,0.46875,0,0,-3.75,-0.46875,0,0,7.59829,0.94979,8.49821,0.89992,0.11249,3.52648,0.44081,3.80805,0.28157,0.0352,0.10595,0.01324,0.10595,0.01324,0,7.01,1,1,1,1,1,1,1,1.099483982,1.726489212,2.688721876,3.022055209,3.022055209,2.831015105,26.38761556,41.43574108,64.52932501,72.52932501,72.52932501,67.94436251,0.239802175,0.376554707,0.586421781,0.659123212,0.659123212,0.617456545,3.485478519,2.858473289,1.896240625,1.562907292,1.562907292,1.753947396,0.243057129,0.381665871,0.594381574,0.668069817,0.668069817,0.625837588,9.670323248,14.72268506,17.52447638,17.86041806,17.86041806,15.56793681,29.54361368,23.14733818,21.03809584,20.25814584,20.25814584,19.11190521,8,5.142857143,5,8,0,7,2.12,1.1536,0.166666667,3.181082915,0.666666667,0,2.941682753,2.828427125,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,3.889,7,6,5,2,1,0,0,0,0,36,2.079441542,2.079441542,1.945910149,1.791759469,1.098612289,0.693147181,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,7,1,0,3,6,1,1.5,0.666666667,0.375,0.08,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.0625,0.016,0.027777778,0,0,0,0,0,0.415801587,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,1.78E-17,2.23E-18,-30.85223121,3000010.71,375001.3387,11.93130113,20.23,138.4185778,4,3.36729583,4.007333185,4.709530201,5.370638028,6.084499413,6.751101469,7.467942332,8.135932772,8.853522561,69.74779579,2.708050201,0,3.761200116,0,4.990432587,0,6.304448802,0,7.656810091,7.96241568,116.1201151,4.83833813,14.6584741,1.832309262,2.451123717,2.451123717,0,75,6,2.238,28,1.225086957,2.123823134,2.850397896,3.530951749,4.720752199,5.694641948,7.18179224,8.149714457,0,0,78.47908308,79.48959558,75.66372826,96.70730917,79.3479427,60.31651737,36.17614296,8.28063147,0,0,273.3612548,316.86494,321.865224,401.3545803,460.9257993,432.7480883,441.0536558,253.3236414,0,0,9.161889003,15.50788554,20.71321967,25.70713755,34.58847806,39.24203557,49.28997252,54.75356319,0,0,2.019873764,2.562972757,2.724158533,3.385005914,4.16076099,4.397442822,4.934891604,3.623468219,0,0,178.4547259,332.6487495,474.2393823,585.1077618,793.9469792,976.4204599,1245.251567,1507.026062,0,0,2.919456522,4.360631087,5.700356979,7.715677195,9.998765578,7.762996287,9.785607939,8.149714457,0,0,0.435339417,0.569659895,0.622705614,0.779597289,0.957289149,0.961871629,1.093700566,0.83453076,0,0,402.0667547,275.2668387,15.8481934,161.9605059,-110.8829714,-17.47118743,240.1062487,386.1498101,33.31938083,0.712849862,0.488038182,0.028098276,0.287150138,-0.196591511,-0.030975785,226.7766102,155.258001,8.938813109,91.35014048,-62.54101861,-9.854225984,0.306908078,0.573263024,8.527530755,13.48517693,512.7184258,51.30883483,0.909031286,0.090968714,470.1693138,21.68338797,7.77591361,633.5057871,25.16954086,8.588490946,788.3090594,28.07684205,9.237735133,2.256871869,2.256871869,719.2581537,668.8585932,87.94841809,1.075351593,8.178181817,7.605123636,4.342508652,4.466158665,8.836778877,0.978608361,4.897845711,6.073884414,3.578280725,20.51361598,10.14080245,0.684202335,4.772280387,9.771601018,11.08581175,1.206935687,2.282682162,7.561028204,4.322884441,0.860264763,2.474850258,0.241081057,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.430947302,6.200672024,0.270891248,6.295516952,0.475038659,0.030415967,0.51174883,0.65273968,3.382300523,0.045570458,0.018935564,0.341267531,0.148779883,0.859561027,0.112752628,0.00169802,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.271701343,5.96445379,0.802579691,7.115489767,1.104466834,0.08297043,1.174261081,1.772853062,4.449850785,0.183822022,0.173560523,1.269832107,0.621296789,0.859696005,0.426540802,0.017694156,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,4.846124884,6.20041024,3.536961201,19.98236222,9.20209178,0.69196339,4.439606757,9.952444077,11.12428745,1.1008828,2.035330183,6.926186272,3.933091809,0.860218614,2.270681911,0.214798927,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,1.807352978,5.874704134,1.156427881,8.129311717,1.940539566,0.123695918,1.690637043,2.508790354,5.157993362,0.308065479,0.370995162,2.069126671,1.058348264,0.859791238,0.691937989,0.038433908,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,6.095488213,6.154159076,4.627982777,27.03916138,14.47243313,0.990524013,6.09068288,13.36093205,13.87341878,1.639290504,3.322012006,10.13053264,5.918549787,0.860439114,3.298422411,0.351593848,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,4.330461811,6.414757862,2.984160016,17.0170846,4.837019619,0.691516928,2.554003147,9.715543779,11.14376343,0.552404128,0.876526426,4.249266125,1.94602901,1.312116045,1.417125076,0.091969833,0.053152368,6.02E-20,1.31E-59,5.54E-121,4.50E-204,0.00E+00,0,0,0,0,0,0,0,0,7.199694242,0.843046411,0.569683768,0.835966029,0.097887235,0.541136568,0.481345982,0.465060251,8.61242442,10.65149518,22.72171572,0.753949043,1.487542801,5.599270257,0.625694663,0.161619512,0.876723751,0.097970154,0.327262358,0.244448229,0.032987056,6.386584432,4.50950931,11.46231696,0.815085626,0.604697643,6.505158211,0.620119659,0.329038651,0.872669975,0.083189338,0.441731445,0.258980418,0.154155326,7.454316521,6.378468308,15.16011901,0.809004962,0.85486719,7.063890565,0.860863793,0.554659757,0.833063519,0.101523971,0.520911721,0.488653448,0.424884522,8.479414115,10.47658995,22.32891646,0.749595279,1.434449692,6.850307525,0.648610263,0.403468055,0.866865737,0.082077777,0.489860088,0.297868535,0.245375582,7.902385843,7.46875354,17.16382048,0.800298605,1.033104206,7.252765829,0.878963115,0.59806997,0.8308056,0.100685379,0.549150943,0.518813983,0.506830675,8.729798915,11.23825653,23.78069986,0.746208401,1.574795601,7.096107607,0.862375226,0.55597305,0.8334188,0.101283657,0.5256739,0.490182348,0.426657506,8.514455883,10.54420938,22.46094645,0.7501282,1.442513754 +UMLYSI0265,L,"3,3-dimethylbutanal",CC(C)(C)CC=O,saturated aldehyde,C6H12O,2987-16-8,76335,PubChem,,38.4,0,1.3986,1.95608196,29.9699,19.363516,0,0,19,7,12,0,6,0,1,0,0,0,0,0,0,0,1133.745495,1058.76965,1397.7997,1070.883456,767.499903,154.287504,0,0,0,3130.497121,3797.153407,5266.511518,5700.519914,3683.796402,1017.876376,0,0,0,139.21638,133.148048,239.120152,307.034184,417.844116,145.706688,0,0,0,22.71195886,28.64637172,41.43215737,49.52530832,37.38813244,8.814428018,0,0,0,3165.229247,2624.785681,5218.980286,6480.096876,10618.7949,3330.917358,0,0,0,80.8125,49.375,70.25,99.5,111,72,0,0,0,59.67081553,58.82053611,42.35756667,25.49722514,12.79166505,8.571528,0,0,0,164.7630063,210.9529671,159.5912581,135.7266646,61.3966067,56.54868753,0,0,0,7.327177895,7.397113778,7.246065212,7.310337714,6.9640686,8.094816,0,0,0,1.195366256,1.591465096,1.25551992,1.179174008,0.623135541,0.489690445,0,0,0,166.591013,145.8214267,158.1509178,154.2880209,176.979915,185.0509644,0,0,0,4.253289474,2.743055556,2.128787879,2.369047619,1.85,4,0,0,0,0.136123018,-0.029689504,-0.021830032,-0.065250622,0.090914961,-0.042206313,0,0,0,605.7336044,-45.41908671,123.9987143,-823.5272937,690.1117965,-248.0309327,0,0,0,916.6964704,-95.75164029,245.5526033,-1397.173765,727.8220644,61.20250278,0,0,0,1.062550737,-0.002447645,0.001281352,-0.299422471,0.57171241,-0.802399014,0,0,0,4.063287563,-0.461433045,1.131723087,-5.892948194,1.696562679,1.494451692,0,0,0,22.47243353,-2.562605463,6.196603697,-31.45147144,6.665372173,9.915884264,0,0,0,34.23026316,-0.441828255,1.623095568,-12.04189751,18.53601108,-24.79051247,0,0,0,0.007164369,-0.001649417,-6.62E-04,-0.001553586,0.001515249,-0.002344795,0,0,0,31.88071602,-2.523282595,3.757536798,-19.60779271,11.50186328,-13.77949626,0,0,0,48.24718265,-5.319535572,7.44098798,-33.26604203,12.13036774,3.400139043,0,0,0,0.055923723,-1.36E-04,3.88E-05,-0.007129106,0.00952854,-0.044577723,0,0,0,0.21385724,-0.025635169,0.034294639,-0.14030829,0.028276045,0.083025094,0,0,0,1.18275966,-0.14236697,0.18777587,-0.748844558,0.111089536,0.550882459,0,0,0,1.801592798,-0.024546014,0.049184714,-0.286711845,0.308933518,-1.377250693,0,0,0,-0.230224993,-0.092334171,-0.216848985,0.211497937,-0.327285629,0,0,0,-0.079147614,0.117862372,-0.615036146,0.360778072,-0.432220413,0,0,0,-0.11025588,0.154226373,-0.689491908,0.251421266,0.070473318,0,0,0,-0.002431532,6.94E-04,-0.12747911,0.170384582,-0.797116512,0,0,0,-0.119870476,0.1603623,-0.656083891,0.132219253,0.388226716,0,0,0,-0.12036847,0.1587608,-0.633133327,0.093924015,0.465760271,0,0,0,-0.013624618,0.027300683,-0.159143534,0.171477993,-0.76446281,0,0,0,0.953899164,0.7185321,0.95605431,0.37891968,3.734932995,0,0,0,1.212328523,0.871471463,1.620800409,0.371575358,1.669521646,0,0,0,1.492302918,0.972765645,1.836331912,0.458964621,0.409636868,0,0,0,0.521883785,0.586324601,0.783793698,0.389343855,4.776522969,0,0,0,1.578834284,0.997511455,1.846239617,0.529276966,0.020245724,0,0,0,1.583316226,0.996325488,1.825424899,0.54920559,7.70E-05,0,0,0,0.547760907,0.561703912,0.822423876,0.381241591,4.732654238,0,0,0,24.65399737,12.45199869,18.68456122,24.8325688,3.547509829,12.45201028,0.25,0.033289258,0.004755608,-2.381764366,21.01021526,3.001459323,2.131506132,24.65584857,12.45255707,18.68558712,24.83389541,3.547699344,12.45256866,0.249265579,0.033340538,0.004762934,-2.38068689,21.01131887,3.001616981,2.1315429,26.29667315,12.94883934,19.65249215,26.01167709,3.71595387,12.94884562,-0.398994478,0.080267516,0.011466788,-1.765673193,22.56061173,3.222944533,2.181343879,24.65779143,12.45314311,18.68666396,24.83528771,3.547898245,12.45315469,0.2484948,0.033394362,0.004770623,-2.37955773,21.01247835,3.001782622,2.131581528,28.0383345,13.47802012,20.81064305,27.26526717,3.895038167,13.47802361,-1.082294264,0.13068193,0.018668847,-1.424492247,26.48725552,3.783893646,2.293664585,24.84785004,12.51049211,18.79275689,24.97151732,3.567359617,12.51050285,0.173134186,0.038685365,0.005526481,-2.276605746,21.13216283,3.018880404,2.135557329,32.50043294,16.2071969,24.76749798,32.7288343,4.675547757,16.20719719,0.532936508,0.021659465,0.003094209,-2.682618902,18.63746071,2.662494387,2.0476215,0,11.98869867,16.0059247,-0.389368547,0.206780952,3.607532937,8.34525278,6,18,17,17,5,1,1,0,0,1,14.076484,3.574566074,3.053599757,2.333552793,2.333552793,1.949932031,0.524462675,0.446558575,0.083923071,1.906415944,1.381904304,1.249629723,1.249629723,0.67700068,0.083923071,0.083923071,0.083923071,3.57498608,2.951143519,2.405454588,2.405454588,1.889760299,0.571789086,0.412312223,0.270913902,1.860592467,1.37559372,1.134540686,1.134540686,0.636264209,0.270913902,0.270913902,0.270913902,3.691348072,3.18212976,2.704236987,2.704236987,2.257126228,1.060371351,0.966353693,0.943918427,1.695597161,1.099818448,0.76031856,0.76031856,0.199495434,0.943918427,0.943918427,0.943918427,3.5870304,2.937068621,2.457539916,2.457539916,1.895799593,0.644073416,0.424102997,0.399277246,1.833341939,1.374293692,1.058262671,1.058262671,0.602368138,0.399277246,0.399277246,0.399277246,3.736480654,3.216159643,2.838982085,2.838982085,2.354341268,1.208173581,1.207644823,1.207644823,1.651182972,1.056054582,0.631337262,0.631337262,0.100001201,1.12440415,1.207644823,1.207644823,4.675369452,3.482720814,2.591598066,2.591598066,2.424744134,1.286139267,0.61421407,0.558139535,1.825082973,1.088971893,0.917179462,0.917179462,0.220295661,0.558139535,0.558139535,0.558139535,0,0,1,0,0,3,1,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.560660172,0.353553391,0,0,0.75,1,0.25,0.612372436,0.454124145,0.083333333,5.914213562,3.060660172,3.310660172,1,0.75,0,0,0,0.844887652,0.510110029,0.413832521,0.25,0.25,0,0,0,5.192705341,2.497503941,2.931450984,0.695705769,0.25,0,0,0,0.741815049,0.416250657,0.366431373,0.173926442,0.083333333,0,0,0,9.965765927,18.6576839,17.70196078,17.96,11.27156647,146.3240515,0.524513996,0.981983363,0.931682147,0.945263158,0.59324034,7.701265868,1.6215,30.136,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,38,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,1,0,1,0,0,0,0,0,0,0,0,3,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.820486111,0.958333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.562847222,0,0,1.198263889,0.401388889,0,0.562847222,0,0,0,0,0,0,0,0,6.129166667,0,0.659722222,0,0.958333333,0,0,0,0,0,0,0,0.182291667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.820486111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.820486111,0.958333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.562847222,0,0,0.265625,0.401388889,0,0.562847222,0,0,0,0,0,0,0,0,2.043055556,0,0.659722222,0,0.958333333,0,0,0,0,0,0,0,0.182291667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.820486111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.820486111,0.958333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.562847222,0,0,0.401388889,0.401388889,0,0.562847222,0,0,0,0,0,0,0,0,2.043055556,0,0.659722222,0,0.958333333,0,0,0,0,0,0,0,0.182291667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.820486111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.75,2.535714286,0.632986111,9.820486111,0.105902778,0.182291667,3.278780903,1.067708333,2.820486111,5.899305556,1.067708333,2.820486111,5.899305556,3.33333,0.47619,0,0.02381,0.48772,0.80952,0.42174,0.48772,0.80952,0.06598,0,-0.06598,0,0.58823,0.12606,0,0.55,0,0.15,4.75,0.67857,3.25,0.46429,1.5,0.21429,-1.75,-0.25,0,0,5.90177,0.84311,7.77542,1.87366,0.26767,2.31919,0.33131,3.06066,0.74147,0.10592,0.35334,0.05048,0.35334,0.05048,0,6.01,1,1,1,1,0,0,0.833333333,1.167436723,1.994841445,2.390863697,2.390863697,1.943713432,0.957783033,22.18129774,37.90198745,45.42641024,45.42641024,36.93055521,18.19787763,0.27482501,0.469603457,0.562830625,0.562830625,0.457567467,0.225470663,3.08049079,2.253086069,1.857063817,1.857063817,2.304214081,3.29014448,0.27482501,0.469603457,0.562830625,0.562830625,0.457567467,0.225470663,10.29981851,17.35578218,17.75490332,17.75490332,12.38910014,4.316018254,25.71846446,18.62642931,18.88442458,18.88442458,16.201523,6.60787111,7,2.34375,6,7,1,4,2.01,0.9697,1.5,2.449489743,0,3,1,0,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.474,0.462,0.543,0.15,2.999,8,4,3,0,0,0,0,0,0,28,2.079441542,2.302585093,1.791759469,1.945910149,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,3,0.666666667,0.375,0,0,0,0,0,0,0,0.5,0.083333333,0.09375,0,0,0,0,0,0,0,0.677083333,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,17.07,118.4861345,3.807354922,3.36729583,3.970291914,4.812184355,5.433722004,6.285998095,6.91274282,7.767687277,8.395929104,9.25157828,69.19742968,2.564949357,0,3.80666249,0,5.198497031,0,6.650279049,0,8.123557835,8.386628821,100.088815,5.267832369,12.44898539,1.778426484,2.373160172,2.373160172,0,46,4,2.27,28,1.231388889,2.131039908,2.970040696,3.419897968,4.02153044,0,0,0,0,0,82.79933054,102.492054,80.41075227,52.04625602,38.71646548,0,0,0,0,0,284.2928587,372.3544962,410.9399358,222.1094539,241.7223325,0,0,0,0,0,9.138860388,15.52194936,21.73576397,23.96141435,33.32699209,0,0,0,0,0,2.093824968,2.865989546,3.536858652,2.173036136,1.994636426,0,0,0,0,0,177.4504105,332.004549,457.5275349,603.7304643,744.2630011,0,0,0,0,0,3.406451389,4.76561279,7.120772409,6.892544501,17.77197641,0,0,0,0,0,0.447824583,0.620251474,0.782534353,0.525863008,0.646478995,0,0,0,0,0,244.6424631,125.6523701,7.994292955,98.9077269,-50.80062615,-18.66036294,145.7347362,176.4529963,26.6546559,0.712101085,0.365746764,0.023269651,0.287898915,-0.147869591,-0.054316264,84.04696468,43.16789563,2.746440864,33.97976837,-17.45256476,-6.410771234,0.23402904,0.589584055,1.50141913,30.92844088,291.0921213,52.45806869,0.847305953,0.152694047,443.1383103,21.05085058,7.623945197,559.3827433,23.65127361,8.239541045,732.2636255,27.06037002,9.013410565,1.465289668,1.026791373,317.727847,315.2069876,114.0370163,1.007997473,2.786181691,2.764076067,3.7601914,3.22022378,5.498950358,0.707629883,3.360021677,4.786280947,2.919473088,15.8787613,3.108433408,5.219651627,6.529299523,3.221978279,1.901526365,1.999778571,2.50E-11,6.03E-44,2.80E-98,2.51E-174,4.35E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.298477101,4.786098156,0.213174614,7.640219509,0.463285797,0.712813035,2.82214174,0.167950267,0.334684334,0.22355117,2.79E-12,6.74E-45,3.13E-99,2.81E-175,4.86E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.916142542,4.785992925,0.563647742,8.897055565,0.658892244,1.040927936,2.052951337,0.544854717,0.420383175,0.387255149,4.84E-12,1.17E-44,5.43E-99,4.87E-175,8.42E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.176697216,4.786319348,3.02011888,15.36569049,2.825373012,5.178187029,6.771948477,3.098260956,2.395855748,2.511796117,3.14E-11,7.57E-44,3.52E-98,3.16E-174,5.46E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.34265012,4.785968164,0.778560031,9.892500873,0.89523354,1.383070696,2.030005706,0.838631421,0.393486174,0.383454967,4.79E-12,1.16E-44,5.37E-99,4.82E-175,8.34E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.057735794,4.786436394,3.965493976,18.29323843,4.297495211,7.09436641,8.669708053,4.374827794,2.752064729,2.920694261,3.65E-11,8.80E-44,4.09E-98,3.67E-174,6.35E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.055944069,3.697981788,2.86861986,12.54113125,1.415718487,4.453638637,10.58141918,2.221198524,4.364769267,4.360793509,5.45E-11,1.31E-43,6.11E-98,5.48E-174,9.48E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.073975993,1.20540015,1.136502639,0.469663253,0.272969483,0.39189171,0.47306553,0.451054037,4.415878782,6.226990615,13.48409301,0.204494879,1.316011276,2.888061422,0.5851041,0.557056492,0.716601074,0.145179124,0.784037275,0.108993015,0.108364282,4.030222014,3.624565982,8.596111293,0.57490161,1.001394573,2.13447868,0.861040866,0.813268287,0.560408921,0.226066902,0.419484865,0.239388131,0.230969882,3.808787833,4.274034421,9.577506383,0.340613382,0.889842878,2.23304392,1.176204637,1.101744126,0.495022731,0.260741863,0.455064054,0.449569241,0.42388609,4.510992684,6.382636187,13.78737812,0.242534097,1.328519385,1.902951487,0.980425504,0.929744035,0.499053524,0.257118905,0.330283282,0.312510735,0.301866194,3.813121026,4.546504729,10.09425122,0.248580287,0.94466021,2.116170728,1.244560009,1.172066241,0.466857602,0.274567781,0.408037542,0.50431403,0.479724602,4.532796978,6.572700503,14.19237005,0.200286403,1.392076175,2.251717828,1.175626088,1.102460551,0.49708941,0.25953131,0.462771871,0.44907634,0.424437544,4.529804467,6.425689683,13.87390371,0.245634114,1.336285755 +UMLYSI0266,L,isopentyl formate,CC(C)CCOC=O,saturated esters,C6H12O2,110-45-2,8052,PubChem,,38.2,0,0.1365,0.01863225,29.5357,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1423.695395,1127.923029,951.930808,648.147239,498.327738,102.858336,0,3346.887898,3979.09551,4934.478511,4937.247464,3846.415923,2470.518005,1636.44931,678.5842503,0,152.568096,145.6753,259.485044,298.841124,326.546488,209.17802,93.198456,97.137792,0,23.35516286,28.53615172,38.32618383,41.94824565,34.00262261,19.64695318,12.56641537,5.876285345,0,3350.680532,2804.677982,5489.682933,6645.146152,7755.911592,4783.498478,1901.768967,2220.611572,0,91.52777778,57.16666667,92.41666667,81.83333333,92.16666667,69.66666667,52,48,0,69.4856748,68.35965826,41.87339397,27.51031778,21.15401796,24.0054533,41.5273115,8.571528,0,167.3443949,209.4260795,145.1317209,120.4206699,85.47590941,91.50066686,136.3707758,56.54868753,0,7.6284048,7.667121053,7.631913059,7.288807902,7.256588622,7.747334074,7.766538,8.094816,0,1.167758143,1.501902722,1.127240701,1.023127943,0.755613836,0.727664932,1.047201281,0.489690445,0,167.5340266,147.6146306,161.4612627,162.0767354,172.3535909,177.1666103,158.4807473,185.0509644,0,4.576388889,3.00877193,2.718137255,1.995934959,2.048148148,2.580246914,4.333333333,4,0,0.281042373,-0.129536733,-0.010322861,-0.007757388,0.032251007,-0.054013645,0.047277943,-0.018419509,0,715.056216,-13.739645,-98.505901,-234.529227,270.303928,11.845991,-137.642454,-155.2608,0,931.2646053,-148.2416011,-115.5852052,-483.5734726,196.5206152,365.0659598,-334.873481,55.05488217,0,1.9334688,0.00145024,0.45649664,-9.83E-04,0.1659736,-0.78285088,-0.11443728,-0.69238368,0,4.097118945,-1.072153629,0.0482067,-2.28939073,-0.070145361,2.227651921,-1.824399896,0.931671522,0,23.01673804,-6.548761719,1.497744327,-12.6404839,-2.009749443,12.77342267,-10.53413362,5.953592662,0,37.62638889,1.117430556,7.569861111,-0.564652778,1.943402778,-9.694236111,-1.025833333,-18.15916667,0,0.014052119,-0.006817723,-3.04E-04,-1.89E-04,7.17E-04,-0.002000505,0.003939829,-0.001534959,0,35.7528108,-0.723139211,-2.897232382,-5.720225049,6.006753956,0.438740407,-11.4702045,-12.9384,0,46.56323026,-7.80218953,-3.399564859,-11.79447494,4.367124783,13.52096147,-27.90612342,4.587906848,0,0.09667344,7.63E-05,0.013426372,-2.40E-05,0.003688302,-0.028994477,-0.00953644,-0.05769864,0,0.204855947,-0.056429138,0.001417844,-0.055838798,-0.001558786,0.082505627,-0.152033325,0.077639294,0,1.150836902,-0.344671669,0.044051304,-0.308304485,-0.044661099,0.473089728,-0.877844468,0.496132722,0,1.881319444,0.058812135,0.222642974,-0.013772019,0.043186728,-0.359045782,-0.085486111,-1.513263889,0,-0.485174013,-0.021606248,-0.013464488,0.051002206,-0.142363257,0.280372566,-0.109233284,0,-0.02022608,-0.081035094,-0.159993716,0.16800788,0.012271494,-0.320819657,-0.361884834,0,-0.167561174,-0.073009644,-0.253300187,0.093789128,0.290378511,-0.599316741,0.098530682,0,7.90E-04,0.13888377,-2.48E-04,0.038152177,-0.299921851,-0.098645916,-0.596840663,0,-0.275457653,0.006921176,-0.27257592,-0.00760918,0.402749482,-0.742147478,0.378994579,0,-0.299496539,0.038277625,-0.267895898,-0.038807496,0.411083211,-0.762787904,0.431106025,0,0.03126111,0.118344056,-0.007320404,0.022955553,-0.190847856,-0.045439445,-0.804363073,0,1.43369132,0.863510847,0.597178146,0.610793382,1.554601059,1.610541456,1.677480322,0,1.04922138,1.067079357,1.019017481,0.677793719,1.011618453,1.356318908,1.492844703,0,1.505949528,1.123674906,1.290970807,0.743630865,0.435356832,1.660551783,0.425630356,0,0.713221749,0.822508443,0.530456894,0.67316782,1.800623947,1.214645494,2.770801887,0,1.749688453,1.085896944,1.339460385,0.793440961,0.250121019,1.850425704,0.021194022,0,1.787392882,1.062986044,1.322698895,0.804830473,0.252169008,1.886705709,7.93E-05,0,0.535233103,0.563753537,0.384368492,0.679988024,1.334623908,1.977778598,4.544682736,0,34.60775531,17.55387766,28.03882097,34.98275531,4.372844414,17.55387774,0.5,0.072086628,0.009010828,-2.103909375,28.40029365,3.550036706,2.677119588,34.6202865,17.55940883,28.04780562,34.99418487,4.374273109,17.55940892,0.498531158,0.071810692,0.008976336,-2.106977525,28.40113361,3.550141701,2.677143248,45.82911854,22.51556479,36.53930523,45.23062683,5.653828353,22.51556479,-0.797988956,0.120873584,0.015109198,-1.690408029,52.55387215,6.569234019,3.169471024,34.6334386,17.5652141,28.057237,35.0061808,4.3757726,17.56521419,0.4969896,0.071521233,0.008940154,-2.110208727,28.4020556,3.55025695,2.677169218,57.83771317,27.83656232,46.21674944,56.21427177,7.026783972,27.83656232,-2.164588529,0.237628156,0.02970352,-1.149638556,27.52045945,3.440057431,2.651943766,35.92190768,18.13408803,28.98870355,36.18160896,4.52270112,18.13408807,0.346268372,0.043913276,0.005489159,-2.500430877,28.68942135,3.586177668,2.685222769,37.72387769,19.01661501,31.20682374,38.2105065,4.776313312,19.01661503,1.090608466,0.217559098,0.027194887,-1.220227799,41.7772584,5.2221573,2.985881707,0,11.98869857,16.00602438,-0.344471271,0.322599166,3.046687859,7.30669379,7,19,18,18,6,1,1,0,0,1,15.992484,3.497340235,3.222501924,2.708279696,2.333552793,1.858294959,1.069059493,0.920983306,0.401812937,1.870206391,1.460407652,1.249629723,1.120476007,0.763156144,0.380353057,0.083923071,0.083923071,3.484493538,3.050107405,2.663462129,2.405454588,1.830765138,1.11282075,0.607835037,0.375212574,1.82126527,1.478261432,1.164417439,1.134540686,0.653931436,0.222653275,0.270913902,0.270913902,3.630319204,3.323513669,2.913312385,2.704236987,2.200494431,1.595843597,1.230236773,1.030420886,1.629250236,1.177056103,0.846608517,0.76031856,0.212315991,0.322007602,0.943918427,0.943918427,3.498773854,3.010810076,2.657734339,2.457539916,1.867839373,1.196671461,0.460343937,0.417568966,1.79445117,1.502917033,1.154397987,1.058262671,0.584814939,0.116295609,0.399277246,0.399277246,3.679882686,3.333576761,2.97545509,2.838982085,2.32940326,1.797961381,1.20895283,1.208035068,1.576823022,1.148213185,0.795699578,0.631337262,0.076903091,0.521368061,1.207644823,1.207644823,4.823195988,3.511764176,3.132007043,2.627181624,2.358943948,1.690725499,1.275701682,1.059671595,1.765795011,1.219221691,0.88524614,0.622985197,0.40524315,5.52E-05,0.580645161,0.580645161,0,0,0,0,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.144337567,0.288675135,0.11785113,0.068041382,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,5.385410682,2.823028484,2.149537841,0.881093911,0.351856165,0.163860541,0.055555556,0,0.673176335,0.403289783,0.307076834,0.176218782,0.087964041,0.05462018,0.027777778,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.2055,31.471,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,5,0,0,1,0,0,0,0,0,0,0,0,2,0,2,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.02787793,0.488472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.820208333,0,0,1.784770408,0,0,0.820208333,0,0,0,0,0,0,0,0,4.182862812,0,1.513796296,0,0.488472222,0,0.620324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.564127929,4.46375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.46375,0.488472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.820208333,0,0,0.272454649,0,0,0.820208333,0,0,0,0,0,0,0,0,2.091431406,0,0.556712963,0,0.488472222,0,0.620324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.564127929,4.46375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.564127929,0.488472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.820208333,0,0,0.555902778,0,0,0.820208333,0,0,0,0,0,0,0,0,2.091431406,0,0.957083333,0,0.488472222,0,0.620324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.564127929,4.46375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.83333333,2.604166667,0.820208333,9.564127929,0.272454649,0.488472222,2.937056503,1.511527778,2.564127929,7.421481481,1.511527778,2.564127929,7.421481481,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.36364,0.13636,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,5.8225,0.72781,8.40872,2.58623,0.32328,2.65788,0.33224,3.77005,1.11216,0.13902,0.14395,0.01799,0.14395,0.01799,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,2.319240705,3.246439345,3.246439345,3.246439345,2.814246535,25.90923688,46.38481409,64.92878689,64.92878689,64.92878689,56.2849307,0.299741647,0.53662177,0.751155335,0.751155335,0.751155335,0.651155335,3.026466251,2.00268739,1.07548875,1.07548875,1.07548875,1.50768156,0.299741647,0.53662177,0.751155335,0.751155335,0.751155335,0.651155335,12.01211119,21.96770064,22.90215464,22.90215464,22.90215464,17.71584093,29.38046565,18.06436999,17.51767202,17.51767202,17.51767202,14.92451516,8,5.142857143,7.2,8,3,4,1.9,1.0284,0.5,1.930978769,2,0,1.650963624,1.5,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.446,0.438,0.543,0.057,3.153,7,5,4,3,2,0,0,0,0,36,2.197224577,2.197224577,1.945910149,1.791759469,1.609437912,1.609437912,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,26.3,127.2763612,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,116.0837296,5.804186481,14.66595917,1.833244896,5.227042867,5.227042867,0,79,5,1.863,28,1.231368421,2.118998646,2.883584623,3.512798143,4.472356846,5.816984471,6.334816037,0,0,0,94.69593269,97.7238377,90.93216436,92.18671684,129.927099,266.2516894,58.33688016,0,0,0,279.3506994,329.7158403,369.7674772,335.4464126,460.4977747,824.6710948,371.8346291,0,0,0,9.50598371,16.24141378,21.11551908,25.81019711,35.17242543,45.63709509,52.01472682,0,0,0,1.955273207,2.518070739,3.060928515,2.821619104,3.505982835,6.16929412,3.126189441,0,0,0,180.1544961,338.5599556,464.5605007,599.7562146,785.4912565,919.7038066,1172.335062,0,0,0,3.788311404,5.9356188,5.983786058,7.835557739,12.54124179,26.95830535,26.94253847,0,0,0,0.448801579,0.584353572,0.699825905,0.696118197,0.922744927,1.587882526,1.000390292,0,0,0,271.7955429,213.3875558,16.47116191,112.8470553,-88.59658642,-22.48745432,158.9484876,301.9841422,38.95861622,0.706618415,0.554768392,0.042821991,0.293381585,-0.230334827,-0.058463245,104.5441438,82.07794388,6.335510511,43.40578456,-34.0780212,-8.649632857,0.316080342,0.405376195,9.045673476,6.441916817,284.9410792,99.701519,0.740794391,0.259205609,584.8273027,24.1832029,8.362623538,701.0717356,26.47775926,8.883569128,920.3770732,30.33771701,9.727216839,1.924160453,1.924160453,725.0182201,678.0658137,76.03777304,1.069244615,9.53497441,8.917486488,4.254441749,4.466160583,7.710848385,0.726504957,3.360032699,4.249538174,4.576685459,15.2945992,3.546378398,4.730917696,4.282064673,5.449492866,2.718291739,2.258286588,4.085535484,0.903060933,1.191795083,0.023460765,4.68E-04,1.80E-27,1.33E-72,1.91E-139,5.26E-228,0,0,0,0,0,0,0,0,0,0,0,0.298491782,4.400535423,0.424611486,4.707280986,0.523527667,1.284919477,0.384163588,0.860492611,1.187918583,0.252419518,1.552441544,0.090966313,0.895872372,0.002622641,5.23E-05,2.01E-28,1.49E-73,2.13E-140,5.88E-229,0,0,0,0,0,0,0,0,0,0,0,0.91615042,4.119450771,0.897657209,6.080721105,0.734820714,1.443468607,0.885602495,1.103038694,1.276521722,0.437410188,1.796151375,0.188382271,0.555638408,0.004543158,9.06E-05,3.48E-28,2.58E-73,3.69E-140,1.02E-228,0,0,0,0,0,0,0,0,0,0,0,3.176711882,4.400105479,5.169003849,14.6158973,3.217786343,4.763138432,4.300917098,5.24091826,2.717715077,2.836114113,4.282670405,1.050326243,1.539453744,0.029467592,5.87E-04,2.26E-27,1.67E-72,2.39E-139,6.60E-228,0,0,0,0,0,0,0,0,0,0,0,1.342655413,4.012646251,1.088402862,7.216489023,1.000337888,1.655914529,1.230549847,1.471469196,1.374865471,0.433275704,1.970397292,0.219476799,0.408745118,0.004498574,8.97E-05,3.45E-28,2.56E-73,3.65E-140,1.01E-228,0,0,0,0,0,0,0,0,0,0,0,4.057749124,4.344995826,6.402184595,18.99496626,4.925982247,6.289610641,5.736507806,7.369602674,3.417240339,3.297940582,5.041047934,1.261061023,1.583402828,0.034264653,6.83E-04,2.63E-27,1.95E-72,2.78E-139,7.68E-228,0,0,0,0,0,0,0,0,0,0,0,2.068396432,3.914065623,5.297530491,10.04008834,1.547856446,4.364564477,2.779903775,3.906390054,2.510950264,3.049461874,5.710506988,1.676074663,4.266758721,0.055368402,0.001103561,4.24E-27,3.15E-72,4.50E-139,1.24E-227,0,0,0,0,0,0,0,0,0,0,0,4.833097952,1.123714336,0.492959014,0.749344081,0.174225454,0.443916721,0.446483521,0.382561775,6.449771303,8.367485772,17.49452806,0.624016122,1.272962016,6.542995889,0.54371056,0.126705193,0.907059823,0.075374953,0.829574803,0.104216712,0.024813434,7.213411642,4.455418466,12.11958332,0.860589735,0.958604949,5.14523487,0.809553665,0.277397667,0.825590684,0.129898825,0.504711341,0.234973136,0.121396674,6.232186202,5.817188196,13.20483104,0.738386026,0.861081151,5.146525594,1.085795692,0.471823273,0.767663279,0.161958872,0.503429054,0.420545311,0.351823107,6.704144558,8.528629544,17.86935809,0.651494918,1.275797472,4.646894965,0.92799146,0.350236485,0.784269801,0.156619782,0.410288199,0.306613394,0.193402738,5.925122911,6.26480747,13.70024777,0.676404701,0.91030433,4.888248345,1.156573269,0.517339437,0.744914413,0.176248839,0.454126414,0.472717723,0.421309271,6.562161051,8.780841977,18.26784225,0.617371619,1.348153407,5.197479663,1.092585567,0.475154054,0.768264774,0.161500392,0.5133598,0.425445359,0.356720979,6.765219284,8.667441259,18.13091372,0.652397161,1.295526138 +UMLYSI0267,L,3-methylpentane,CCC(C)CC,linear alkanes,C6H14,96-14-0,7282,PubChem,,38.2,0,-0.34,0.1156,26.1559,19.895102,0,0,20,6,14,0,6,0,0,0,0,0,0,0,0,0,879.809622,890.819837,974.639069,862.717636,432.973465,103.124448,9.144576,0,0,2976.273833,3723.897138,4754.238025,4808.864311,3631.564839,1620.932031,279.7536999,0,0,139.301592,137.349428,253.958324,314.400784,311.934628,244.259712,60.466176,0,0,22.95798067,29.53412034,41.10612815,44.10122001,37.06835873,20.01965301,4.001516144,0,0,3349.613265,2777.687448,5730.516907,7389.308863,7563.67875,6466.264847,1664.258868,0,0,32.27777778,38,55.91666667,68,67,42,9,0,0,43.9904811,46.88525458,27.07330747,19.17150302,9.621632556,2.864568,1.016064,0,0,148.8136916,195.9945862,132.0621674,106.8636514,80.70144088,45.02588975,31.08374443,0,0,6.9650796,7.228917263,7.054397889,6.986684089,6.931880622,6.784992,6.718464,0,0,1.147899033,1.554427386,1.141836893,0.980027111,0.823741305,0.556101472,0.444612905,0,0,167.4806632,146.1940762,159.1810252,164.2068636,168.08175,179.618468,184.917652,0,0,1.613888889,2,1.553240741,1.511111111,1.488888889,1.166666667,1,0,0,0.028302395,-0.005876358,-0.005542894,-0.002011666,-0.013336366,0.007886446,0.00472964,0,0,508.4772378,-59.32234441,-92.01016684,-115.0127085,-260.2919194,174.335053,98.06346729,0,0,945.5351364,-110.3124326,-171.0968342,-213.8710428,-484.0239389,324.1834754,182.3532049,0,0,0.0996072,-0.01162084,-0.01802416,-0.0225302,-0.0509894,0.03415104,0.01920996,0,0,4.226981996,-0.4931479,-0.764882456,-0.956103071,-2.163812212,1.44925097,0.815203671,0,0,22.96103329,-2.678787217,-4.154853643,-5.193567054,-11.75386228,7.872354271,4.428199278,0,0,2.672222222,-1.196944444,-0.293333333,0.779166667,-1.4375,0.39,0.4225,0,0,0.00141512,-3.09E-04,-1.54E-04,-4.47E-05,-2.96E-04,2.19E-04,5.26E-04,0,0,25.42386189,-3.122228653,-2.555837968,-2.555837968,-5.784264874,4.84264036,10.89594081,0,0,47.27675682,-5.805917504,-4.752689839,-4.752689839,-10.75608753,9.005096538,20.26146721,0,0,0.00498036,-6.12E-04,-5.01E-04,-5.01E-04,-0.001133098,9.49E-04,0.00213444,0,0,0.2113491,-0.025955153,-0.021246735,-0.021246735,-0.048084716,0.040256971,0.090578186,0,0,1.148051665,-0.140988801,-0.115412601,-0.115412601,-0.26119694,0.218676508,0.492022142,0,0,0.133611111,-0.062997076,-0.008148148,0.017314815,-0.031944444,0.010833333,0.046944444,0,0,-0.218555365,-0.108802996,-0.031590041,-0.209426572,0.154805238,0.371357645,0,0,-0.122807018,-0.100529101,-0.100529101,-0.227513228,0.19047619,0.428571429,0,0,-0.122807018,-0.100529101,-0.100529101,-0.227513228,0.19047619,0.428571429,0,0,-0.122807018,-0.100529101,-0.100529101,-0.227513228,0.19047619,0.428571429,0,0,-0.122807018,-0.100529101,-0.100529101,-0.227513228,0.19047619,0.428571429,0,0,-0.122807018,-0.100529101,-0.100529101,-0.227513228,0.19047619,0.428571429,0,0,-0.471495787,-0.060984061,0.12959113,-0.239085239,0.081081081,0.351351351,0,0,1.761041552,1.160403025,1.021013286,1.182765148,0.433213113,0,0,0,1.666666667,1.256613757,1.105820106,1.105820106,0.376984127,0,0,0,1.666666667,1.256613757,1.105820106,1.105820106,0.376984127,0,0,0,1.666666667,1.256613757,1.105820106,1.105820106,0.376984127,0,0,0,1.666666667,1.256613757,1.105820106,1.105820106,0.376984127,0,0,0,1.666666667,1.256613757,1.105820106,1.105820106,0.376984127,0,0,0,2.079002079,0.905232155,0.763686764,1.382536383,0.592515593,0,0,0,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,21.48480946,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,-5.33E-15,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,27.13010824,13.47940597,20.52288097,27.01591071,4.502651784,13.47940898,-0.171296296,1.11E-16,1.85E-17,-22.04208034,3000004.079,500000.6798,8.948474524,0,11.89,12.11007471,-0.169151346,0.051247007,5.275584961,7.642003616,5,19,19,19,5,0,0,0,0,0,15.304898,3.486065375,2.902564078,2.602098481,1.907478409,1.598026915,0.940486379,0.083923071,0.083923071,1.905678496,1.563026335,1.389675774,0.941666099,0.769718516,0.363415993,0.083923071,0.083923071,3.514277282,2.950308951,2.661111007,1.990406516,1.695309721,1.066897176,0.270913902,0.270913902,1.844273097,1.473453684,1.286630053,0.814742336,0.630337185,0.203390889,0.270913902,0.270913902,3.638598169,3.155598408,2.911455076,2.332376476,2.090117344,1.562551549,0.943918427,0.943918427,1.663447912,1.195492746,0.959389692,0.395958779,0.162386152,0.34948882,0.943918427,0.943918427,3.535079059,2.985267979,2.704149439,2.050359443,1.765276817,1.15673493,0.399277246,0.399277246,1.805143103,1.415133181,1.218928543,0.730150495,0.536857124,0.094991748,0.399277246,0.399277246,3.699226781,3.252217518,3.027125582,2.484784209,2.26277616,1.771444199,1.207644823,1.207644823,1.607068379,1.104407163,0.849593123,0.249417906,0.004703131,0.554077929,1.207644823,1.207644823,3.51547682,3.076003138,2.8440656,2.151382767,1.849830724,1.241348526,0.580645161,0.580645161,1.810447978,1.311901715,1.069691066,0.603837508,0.42038376,0.02202542,0.580645161,0.580645161,0,0,0,0,0,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.577350269,0.288675135,0,0.577350269,0.288675135,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,9.792794627,19.21485798,18.07843137,18.32,11.58988144,154.455091,0.489639731,0.960742899,0.903921569,0.916,0.579494072,7.722754551,2.4425,29.746,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,29,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,6.738425926,0,2.659722222,0,0,0,0.935185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.230324074,0,1.329861111,0,0,0,0.935185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.277777778,0,1.329861111,0,0,0,0.935185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.33333333,1.722222222,0.2,2.277777778,0.2,0.935185185,4.590439815,0.398148148,0.277777778,1.476851852,0.398148148,0.277777778,1.476851852,3,0.5,0,0,0.42,0.7,0.42,0.42,0.7,0,0,0,0,0.71429,0,0,0.5,0.16667,0,2.5,0.41667,2.5,0.41667,0,0,-2.5,-0.41667,0,0,5.73058,0.9551,5.73058,0,0,2.80805,0.46801,2.80805,0,0,0.10595,0.01766,0.10595,0.01766,0,5,0,0,0,0,0,0,1,0.881290899,1.319035274,2.295461844,2.70869497,2.492598565,1.728212946,17.62581798,26.38070549,45.90923688,54.17389939,49.8519713,34.56425892,0.203911514,0.305196025,0.53111986,0.626733002,0.576733002,0.399870823,3.440637196,3.002892821,2.026466251,1.613233125,1.82932953,2.593715149,0.207463733,0.310512661,0.540372178,0.637650939,0.58677992,0.406836732,6.616095946,11.86902845,14.36720586,14.78367255,12.19051569,5.393257752,23.80204551,17.71551634,17.30503569,16.99759575,15.70101732,10.20202878,6,3.2,3,6,0,5,2.12,0.954,0.908560296,3.301927249,1.889881575,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,2.54,5,4,1,0,0,0,0,0,0,21,1.791759469,1.791759469,1.609437912,0.693147181,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,0,112.3323665,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,86.10955045,4.305477522,10.6758508,1.779308466,0,0,0,31,4,3.693,20,1.220894737,2.103173734,2.865487861,3.505459879,4.175001234,5.71185753,0,0,0,0,67.74862772,64.92246437,61.68420186,39.37951263,14.13966644,5.803612809,0,0,0,0,263.8372191,301.2768942,325.9848541,303.0664721,204.4262542,177.5459197,0,0,0,0,8.859366903,14.89288075,20.06705195,24.36139425,28.40581187,38.37490919,0,0,0,0,2.030985313,2.547295132,2.930414499,3.022981823,2.453211893,2.539565568,0,0,0,0,176.3944505,330.6965185,467.1383628,584.5081841,743.6575655,1056.223283,0,0,0,0,2.499333333,3.376314166,4.439815548,5.353172263,5.067398364,5.71185753,0,0,0,0,0.422269342,0.539354181,0.627509756,0.657744497,0.550313972,0.584894211,0,0,0,0,348.2452839,119.178022,8.411708706,145.4814617,-49.7873012,-8.519307768,202.7638222,168.9653232,16.93101647,0.705340124,0.241384578,0.017037174,0.294659876,-0.10083979,-0.017255107,171.9380106,58.84137694,4.153085563,71.82808859,-24.58132219,-4.206210098,0.086550298,0.18974905,1.614066694,11.06347011,493.7267455,0,1,0,310.4078457,17.6183951,6.770866172,446.0263509,21.11933595,7.640471717,486.0997239,22.04766935,7.862761904,1.600376192,1.20582466,297.9980032,257.2067684,72.90961007,1.158593163,4.087225305,3.527748511,3.598661447,3.220194404,6.42424645,0.994987148,3.904607748,4.742643365,2.180766641,19.83544936,6.276698098,5.017174461,5.31761643,8.391284527,2.81392746,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,4.742376508,0.139452035,5.476519534,1.035145025,0.16594251,0.46275533,0.333437286,0.949016922,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,4.742394891,0.478874121,7.179925155,1.393915343,0.703734255,1.284689051,1.32069706,1.0750388,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,4.742614261,2.028469008,18.52213658,5.704235347,4.56012436,4.960602108,7.665380581,2.609673611,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,4.742418226,0.734814978,8.713747116,1.851352821,1.207252641,1.899114317,2.193650838,1.237158573,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,4.742765618,2.77568718,25.19113572,8.681918633,6.891162689,6.707381819,11.34308938,3.672472691,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.382118359,4.050602643,1.030788426,11.15558879,3.130429896,2.263552644,3.019410176,3.4308531,1.898104156,1.609735553,0.054807146,0.379869114,2.71E-15,3.72E-51,9.85E-109,5.04E-188,4.96E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.530987441,1.130475171,0.585893788,0.672907874,0.215437086,0.502955739,0.441794109,0.476528345,5.247356401,6.722815623,14.30888053,0.509361811,1.421278192,2.800335673,0.662709071,0.186421833,0.767327393,0.181590667,0.316342548,0.151864066,0.048341475,3.649466577,2.501395002,6.496824681,0.650991089,0.516548089,3.104930242,0.85771042,0.35295523,0.719467327,0.198746695,0.388902842,0.254354483,0.173130621,4.315595892,4.06176577,9.317327685,0.579200991,0.816387946,3.514285046,1.119782124,0.576762135,0.674419529,0.214895184,0.498208796,0.433478008,0.461808737,5.210829306,6.607988051,14.08851108,0.511629294,1.393495541,3.234374,0.940580857,0.423726457,0.703326406,0.204532733,0.422005291,0.305865677,0.24943162,4.598681315,4.811229101,10.69896692,0.554989609,0.977302588,3.582861247,1.16368535,0.61425458,0.668344363,0.217073029,0.517842155,0.468125647,0.523712993,5.360801177,7.084911129,15.00673814,0.502516544,1.509680795,3.525773615,1.121449447,0.57737462,0.674841171,0.214648001,0.501471515,0.434727232,0.46240831,5.224597682,6.63716552,14.14468909,0.512261756,1.398607057 +UMLYSI0268,L,methyl tert-amyl ether,CCC(C)(C)OC,saturated ethers,C6H14O,994-05-8,61247,PubChem,,38.1,0,0.3056,0.09339136,29.8941,20.697102,0,0,21,7,14,0,6,0,1,0,0,0,0,0,0,0,1135.777623,1130.883694,1516.794524,1314.95285,565.087993,115.317216,9.144576,0,0,3192.664609,3905.83924,5167.478597,5787.131083,4649.678301,1993.936964,279.7536999,0,0,152.653308,149.87668,276.086984,320.404496,383.453092,324.88128,60.466176,0,0,23.60118467,29.42390034,39.82286775,46.72763614,46.02285995,25.35500786,4.001516144,0,0,3535.064551,2957.579749,6044.077192,6746.991284,9006.171762,8685.276671,1664.258868,0,0,46.0625,48.25,76.25,96.5,92,54,9,0,0,54.08464871,56.5441847,40.99444659,31.30840119,10.46459246,2.402442,1.016064,0,0,152.0316481,195.291962,139.6615837,137.7888353,86.10515373,41.54035342,31.08374443,0,0,7.269205143,7.493834,7.461810378,7.628678476,7.100983185,6.76836,6.718464,0,0,1.123865937,1.471195017,1.076293723,1.112562765,0.852275184,0.52822933,0.444612905,0,0,168.3364072,147.8789875,163.3534376,160.6426496,166.7809586,180.943264,184.917652,0,0,2.193452381,2.4125,2.060810811,2.297619048,1.703703704,1.125,1,0,0,0.171059475,-0.047792903,0.00207854,-0.051823894,-0.036062255,0.037113371,0.010957403,0,0,638.6281311,-22.56118033,200.2202462,-525.867982,-564.6448665,459.6120011,133.9277159,0,0,965.983639,-166.0761568,260.9200533,-527.0691658,-896.5778322,645.1420955,200.6691865,0,0,1.082321143,0.050429388,-0.041130204,-0.72676,-0.246109796,0.341916245,0.080493796,0,0,4.253148428,-1.120695763,0.734971924,-1.283799147,-3.588696004,2.358639827,0.773004949,0,0,23.45618849,-6.732245357,3.18710329,-5.375352894,-18.81567144,12.00278413,4.005288032,0,0,8.05952381,-1.651927438,2.630243764,-4.392857143,-5.337585034,3.649659864,1.072704082,0,0,0.008145689,-0.002389645,5.62E-05,-0.001233902,-6.68E-04,7.73E-04,0.001217489,0,0,30.41086339,-1.128059016,5.411358006,-12.52066624,-10.45638642,9.575250023,14.88085733,0,0,45.9992209,-8.303807841,7.051893334,-12.54926585,-16.60329319,13.44046032,22.29657628,0,0,0.051539102,0.002521469,-0.001111627,-0.01730381,-0.004557589,0.007123255,0.008943755,0,0,0.202530878,-0.056034788,0.019864106,-0.030566646,-0.066457333,0.04913833,0.085889439,0,0,1.116961357,-0.336612268,0.086137927,-0.127984593,-0.34843836,0.250058003,0.445032004,0,0,0.383786848,-0.082596372,0.071087669,-0.104591837,-0.098844167,0.07603458,0.119189342,0,0,-0.29336316,0.006896503,-0.151479169,-0.081984411,0.094920786,0.149464237,0,0,-0.037093949,0.17794161,-0.411716895,-0.34383721,0.314862814,0.489327026,0,0,-0.180520619,0.153304625,-0.272814748,-0.36094727,0.292188869,0.48471639,0,0,0.048923425,-0.021568617,-0.335741385,-0.088429729,0.138210695,0.17353339,0,0,-0.276672816,0.098079396,-0.150923389,-0.328134328,0.242621423,0.424080712,0,0,-0.301364291,0.07711809,-0.11458283,-0.311952028,0.223873459,0.398430976,0,0,-0.21521418,0.185226955,-0.272525849,-0.257549647,0.198116691,0.3105613,0,0,1.307005971,1.524143121,2.070691011,0.679803546,0.069321051,0.051195631,0,0,1.351907573,0.971576195,1.66920189,1.213569078,0.236964994,0,0,0,1.667047457,0.917799714,1.393800066,1.299584309,0.291318875,0,0,0,0.915140581,1.539542057,2.281025296,0.696598887,0.027390207,0,0,0,1.833557922,0.978520289,1.289857111,1.273180874,0.295788021,0,0,0,1.868478074,1.011062326,1.277296585,1.251676482,0.291336372,0,0,0,1.3183161,1.077288515,1.901772526,1.045462006,0.155096012,0,0,0,23.57775212,11.91387606,16.61825074,23.75632355,3.393760507,11.91389487,0.25,0.131336598,0.018762371,-1.420994262,30.81381612,4.401973732,2.399574215,23.5851431,11.91720434,16.62268387,23.76318994,3.39474142,11.91722308,0.249265579,0.130998026,0.018714004,-1.422801115,30.86688594,4.409555134,2.40077877,30.37125624,14.98613088,21.59943682,30.08626018,4.298037169,14.98613161,-0.398994478,0.17916552,0.025595074,-1.203611645,27.99770387,3.999671982,2.332485752,23.59290094,11.92069787,16.62733961,23.77039722,3.395771032,11.92071654,0.2484948,0.13064225,0.018663179,-1.424704825,30.9229657,4.417566529,2.402049394,37.85758164,18.38764369,27.89548502,37.08451431,5.297787759,18.38764371,-1.082294264,0.338513437,0.048359062,-0.758234045,21.15550091,3.022214415,2.136329973,24.35598807,12.26456113,17.09854672,24.47965535,3.497093622,12.26457398,0.173134186,0.09379359,0.013399084,-1.656661135,39.10590532,5.586557903,2.566391441,29.01070033,14.64384223,21.32588329,29.20854614,4.172649448,14.64384343,0.276984127,0.237970115,0.033995731,-1.004927127,20.96761274,2.995373249,2.130085298,0,11.99635526,15.9979425,-0.40537146,0.064826327,4.80260285,8.112503016,6,20,20,20,6,0,0,0,0,0,17.220898,3.543297438,2.849584811,2.661428775,2.333552793,1.753485599,1.298230103,0.121698134,0.083923071,1.860550449,1.486392782,1.379867795,1.249629723,0.833192578,0.083923071,0.083923071,0.083923071,3.512299585,2.848100144,2.671530156,2.405454588,1.830163725,1.156121014,0.270913902,0.270913902,1.830199219,1.410655611,1.303717637,1.134540686,0.702427066,0.027239621,0.270913902,0.270913902,3.659881056,3.094347996,2.948570257,2.704236987,2.197419214,1.642946601,0.943918427,0.943918427,1.637169289,1.101536052,0.956330858,0.76031856,0.259014773,0.517222337,0.943918427,0.943918427,3.516610625,2.874956481,2.696007468,2.457539916,1.891600214,1.141517597,0.399277246,0.399277246,1.813004389,1.364434015,1.248721396,1.058262671,0.615427369,0.001756712,0.399277246,0.399277246,3.699729239,3.182716375,3.05141305,2.838982085,2.356130366,1.715568518,1.207644823,1.207644823,1.594547465,1.01097986,0.85720254,0.631337262,0.104900048,0.60203773,1.207644823,1.207644823,3.633234333,3.08171168,2.885125445,2.591598066,1.988926252,1.695622133,0.558139535,0.558139535,1.769500747,1.224422206,1.053747574,0.917179462,0.520140316,0.352958441,0.558139535,0.558139535,0,0,0,0,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,1.207106781,0.25,0,0,0.84635267,0.144337567,0,0,1.707106781,1,0,1.135027805,0.577350269,0,5.914213562,3.121320344,2.871320344,1.914213562,0.25,0,0,0,0.844887652,0.520220057,0.358915043,0.319035594,0.25,0,0,0,5.615355072,2.673032607,2.317370175,1.404030206,0.144337567,0,0,0,0.802193582,0.445505435,0.289671272,0.234005034,0.144337567,0,0,0,10.50759373,20.54552076,19.42745098,19.72,12.07012096,162.609612,0.500361606,0.978358131,0.925116713,0.939047619,0.574767665,7.743314856,1.8214,31.379,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,34,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,4,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.195833333,0,0,0,0,0,0,0,0,0,0,0,8.006944444,0,1.072916667,0,0,0,0,0,0,0,0,0,0.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.739583333,0,1.072916667,0,0,0,0,0,0,0,0,0,0.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,2.114583333,0,1.072916667,0,0,0,0,0,0,0,0,0,0.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.25,2.035714286,0.45,5.086805556,0.104166667,0.083333333,3.9965625,1.166666667,1.586805556,3.708333333,1.166666667,1.586805556,3.708333333,3.33333,0.47619,0,0.02381,0.46984,0.80952,0.42174,0.46984,0.80952,0.0481,0,-0.0481,0,0.58823,0.12606,0,0.6,0,0.15,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.6284,0.94691,7.84027,1.21188,0.17313,2.59036,0.37005,3.12132,0.53096,0.07585,0.29268,0.04181,0.29268,0.04181,0,6.01,1,1,1,1,0,0,1,1.115520094,1.627657594,2.616878732,3.010434089,2.801276117,1.964644226,23.42592197,34.18080947,54.95445336,63.21911587,58.82679845,41.25752876,0.253970737,0.370569209,0.595785432,0.685386278,0.63776723,0.44729104,3.276797329,2.764659829,1.775438691,1.381883334,1.591041306,2.427673196,0.258107046,0.376604506,0.605488725,0.69654886,0.648154262,0.454575871,9.935135927,16.08078593,18.51975754,18.91639248,16.40649681,5.531345884,25.72285013,18.11666995,17.13423932,16.72077196,15.46582412,10.02771684,7,2.34375,2.666666667,7,0,4,2.01,1.0127,2.039648903,2.149139864,0,2.828427125,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.347,0.337,0.233,0.033,2.716,8,6,1,0,0,0,0,0,0,28,1.945910149,2.197224577,1.945910149,0.693147181,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,3,1.111111111,0.125,0,0,0,0,0,0,0,0.5,0.138888889,0.020833333,0,0,0,0,0,0,0,0.659722222,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,4.44E-16,6.34E-17,-24.74535435,4000004.229,571429.1756,10.64126418,9.23,121.1225932,3.807354922,3.36729583,4.043051268,4.844187086,5.549076085,6.354370041,7.063903961,7.870547845,8.580918882,9.387900612,70.06125161,2.564949357,0,3.80666249,0,5.262690189,0,6.767343125,0,8.282230063,8.532278829,102.1044651,4.862117384,12.44270382,1.777529117,2.62760191,2.62760191,0,44,6,1.678,28,1.2239,2.089194272,2.905173217,3.425230617,3.75095848,5.479719658,0,0,0,0,80.31687478,97.26212414,95.77859589,39.15494506,10.91126184,5.567745874,0,0,0,0,260.8372223,318.8548777,409.8266324,300.610767,170.1451933,170.3302054,0,0,0,0,9.248938802,15.70717198,22.19025686,24.42630208,25.45621155,36.81529925,0,0,0,0,1.90483678,2.397783273,3.283362709,2.932449399,2.095948762,2.436354075,0,0,0,0,179.4180724,336.9902637,464.8368179,572.1166496,673.2644293,1013.296893,0,0,0,0,3.05191875,4.535593176,6.777475102,5.921859546,4.391120106,5.479719658,0,0,0,0,0.4256175,0.560068743,0.76122711,0.658120782,0.472184388,0.561123293,0,0,0,0,331.326433,178.9423015,10.07103515,135.5007772,-73.1810641,-12.32208123,195.8256557,252.1233656,22.39311638,0.709741047,0.38331592,0.021573368,0.290258953,-0.156762636,-0.026395379,154.6721944,83.53513538,4.701433245,63.25544982,-34.16291199,-5.752282802,0.116002824,0.699879446,0,13.37421901,447.717892,19.10931818,0.959065543,0.040934457,443.6860744,21.06385706,7.627085227,579.3045795,24.06874695,8.33621654,770.717558,27.76180034,9.168502709,1.621224282,1.451957691,281.1573827,279.7800817,113.1353916,1.004922799,2.485140845,2.472966926,3.571288972,3.220194404,6.200953468,0.925645688,3.90460794,4.559679453,5.226381858,15.63168081,7.961705162,8.341056794,9.364952678,2.112277458,1.460771308,1.920109475,1.177019511,2.61E-04,3.74E-28,1.03E-73,5.48E-141,5.62E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686927,4.813542772,0.382557357,5.643060087,1.802713875,0.62516814,0.344977558,0.167663698,0.011328425,0.160547706,0.008289845,1.84E-06,2.63E-30,7.26E-76,3.86E-143,3.96E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.057812657,4.341086417,0.911720903,6.619878626,2.761798794,1.391230068,1.401261721,0.52000106,0.10818296,0.518658821,0.086386573,1.92E-05,2.74E-29,7.56E-75,4.02E-142,4.12E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631458,4.812762511,5.596524993,15.34611544,7.803787976,7.591189691,8.541076313,2.028411757,1.301635136,1.812017864,1.048703194,2.33E-04,3.33E-28,9.18E-74,4.88E-141,5.01E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021119,4.161561898,1.201179151,7.549854043,3.42639509,2.157722451,2.357919629,0.762191743,0.233760055,0.764803519,0.18764318,4.17E-05,5.96E-29,1.64E-74,8.73E-142,8.96E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379565,4.720096862,7.324386443,19.27179231,9.951520336,11.46329229,12.75426381,2.642512566,2.129917468,2.320747004,1.716572339,3.81E-04,5.45E-28,1.50E-73,7.99E-141,8.20E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.345842096,4.274100227,3.646254551,11.16108792,5.28952858,3.512836913,4.052457279,1.318359709,0.456038057,1.193898009,0.366664813,8.14E-05,1.16E-28,3.21E-74,1.71E-141,1.75E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.045171779,1.105040025,0.853880447,0.608536299,0.220827269,0.474220438,0.461324414,0.423906639,5.004092251,6.908821411,14.7862527,0.412804449,1.359451492,2.211098218,0.590171645,0.560594212,0.657700064,0.175548931,0.246448838,0.178240815,0.118850608,3.361864075,2.875303145,6.968702008,0.486550096,0.543540261,2.585253722,0.812057191,0.665650782,0.636297833,0.199868286,0.339924725,0.249132325,0.252333081,4.062961695,4.360796542,9.821208098,0.454446749,0.841390131,2.998278013,1.074550046,0.855832038,0.608335319,0.218020725,0.458169724,0.436217724,0.420739078,4.928660097,6.707456515,14.39343608,0.412502979,1.315126525,2.754713357,0.920959771,0.706169685,0.62866549,0.21017636,0.388376431,0.320431836,0.290671191,4.381842813,5.132629115,11.30601042,0.442998235,0.999479457,3.093338773,1.135523808,0.88012014,0.605470588,0.222260256,0.489165366,0.487127072,0.449828429,5.10898272,7.234466947,15.43492431,0.408205882,1.426120867,3.022079552,1.088130074,0.850024219,0.609261508,0.219370721,0.466238089,0.447313299,0.417594911,4.960233844,6.782193372,14.53766016,0.413892262,1.331146298 +UMLYSI0269,L,methyl-2-methyl-2-butenoate,CC=C(C)C(=O)OC,unsaturated esters,C6H10O2,6622-76-0,5323652,UML,,38,0,1.3649,1.86295201,32.3215,18.83193,0,0,18,8,10,0,6,0,2,0,0,0,0,0,0,0,1387.681368,1274.619331,1515.99884,1566.159732,998.58638,371.241529,84.835296,9.144576,0,3284.720409,3749.622277,4383.121813,4483.762078,3824.733374,2342.718549,1061.424631,279.7536999,0,139.131168,131.440036,216.9428,192.593208,244.898624,196.01002,123.32736,60.466176,0,22.46593705,26.3090631,31.78055858,31.98685905,28.83529828,21.13446716,12.01662072,4.001516144,0,2980.845228,2498.432887,4570.901803,3845.568334,4989.525941,4433.384362,3137.747111,1664.258868,0,92.80555556,57.94444444,93.5,94.33333333,117,64.5,24,9,0,77.09340933,74.97760771,54.14281571,62.64638928,33.28621267,14.27852035,4.713072,1.016064,0,182.4844672,220.5660163,156.5400647,179.3504831,127.4911125,90.10455958,58.96803508,31.08374443,0,7.729509333,7.731766824,7.747957143,7.70372832,8.163287467,7.538846923,6.85152,6.718464,0,1.248107614,1.547591947,1.135019949,1.279474362,0.961176609,0.812864122,0.66759004,0.444612905,0,165.6025127,146.9666404,163.246493,153.8227334,166.3175314,170.5147831,174.3192839,184.917652,0,5.155864198,3.408496732,3.339285714,3.773333333,3.9,2.480769231,1.333333333,1,0,0.278678887,-0.177679918,0.010930782,0.126549822,-0.077389807,-0.053887192,0.019045775,0.013091096,0,663.856216,-9.534489444,223.0791831,32.21233644,-670.3067027,-323.2824354,159.904,256,0,866.1096724,-133.5335166,306.5805476,-265.9633936,-529.0687022,-246.7636043,109.9191686,325.7746642,0,1.881856,-0.014157778,0.596015111,0.054639111,-1.572466667,-0.622685778,0.359664,0.258064,0,3.87734243,-0.994912954,1.39879729,-2.249944776,-0.976936996,-0.309045853,0.094489502,1.098882572,0,21.92945949,-6.116843013,7.918943004,-14.08145913,-3.548239656,-0.543046491,-0.030477217,5.436392757,0,36.50771605,-2.070558985,9.233367627,6.284036351,-30.57304527,-12.4633059,6.020061728,5.31558642,0,0.01548216,-0.01045176,3.90E-04,0.005061993,-0.00257966,-0.002072584,0.001058099,0.001454566,0,36.88090089,-0.56085232,7.967113683,1.288493458,-22.34355676,-12.43393982,8.883555556,28.44444444,0,48.11720402,-7.854912743,10.94930527,-10.63853574,-17.63562341,-9.490907858,6.106620477,36.19718492,0,0.104547556,-8.33E-04,0.021286254,0.002185564,-0.052415556,-0.023949453,0.019981333,0.028673778,0,0.215407913,-0.058524291,0.049957046,-0.089997791,-0.032564567,-0.011886379,0.005249417,0.122098064,0,1.218303305,-0.359814295,0.282819393,-0.563258365,-0.118274655,-0.020886404,-0.001693179,0.60404364,0,2.028206447,-0.121797587,0.32976313,0.251361454,-1.019101509,-0.479357919,0.334447874,0.590620713,0,-0.675084074,0.025215155,0.326956494,-0.166621465,-0.133869193,0.068343084,0.093951116,0,-0.015207121,0.216022751,0.034936605,-0.605830015,-0.337137638,0.240871436,0.771251346,0,-0.163245411,0.227554894,-0.221096299,-0.366513885,-0.197245622,0.126911374,0.752271161,0,-0.007965853,0.203603555,0.020904979,-0.501356108,-0.229077121,0.191121956,0.274265406,0,-0.271690537,0.231918342,-0.417801695,-0.151176278,-0.055180791,0.024369656,0.566822555,0,-0.29534049,0.232142022,-0.462330163,-0.097081453,-0.017143845,-0.001389784,0.495807273,0,-0.060051869,0.162588542,0.123932874,-0.502464387,-0.236345723,0.164898339,0.291203449,0,1.666553901,1.032690018,1.090168918,1.543270088,0.803864726,0.061898027,0.020698913,0,0.947774903,0.765735743,0.90879807,1.688687255,1.260226837,0.516708815,0,0,1.359308315,0.743150554,1.304880052,1.206580932,1.038758146,0.736466784,0,0,0.720180503,0.84241678,0.804778346,2.159009226,1.216800043,0.035706947,0,0,1.589299252,0.752643859,1.565866442,1.007328726,0.857827765,0.735435553,0,0,1.626717752,0.759354609,1.617585651,0.991305456,0.815038477,0.706336878,0,0,0.606416705,0.573984444,0.821104958,2.4285201,1.224583064,0.077609164,0,0,27.21187468,13.85593734,20.40289921,27.58687468,3.448359335,13.8559409,0.5,0.03167779,0.003959724,-2.76171158,25.77441916,3.221802395,2.599505996,27.2217296,13.86013038,20.40887833,27.59562797,3.449453496,13.86013393,0.498531158,0.031292006,0.003911501,-2.771514082,25.78019594,3.222524492,2.599685278,36.15094163,17.67647634,26.31612924,35.55244991,4.444056239,17.6764764,-0.797988956,0.252466025,0.031558253,-1.101182876,104.2337596,13.02921995,3.717308853,27.23207324,13.86453142,20.41515543,27.60481544,3.450601929,13.86453495,0.4969896,0.030887216,0.003860902,-2.781930333,25.78628863,3.223286079,2.599874322,45.86631974,21.8508656,33.41983105,44.24287834,5.530359793,21.85086561,-2.164588529,0.41574814,0.051968518,-0.702140507,32.8968505,4.112106312,2.794701539,28.24736132,14.29681484,21.03856178,28.50706259,3.563382824,14.29681705,0.346268372,0.008189284,0.001023661,-3.843943015,26.54069142,3.317586428,2.622943264,26.86942065,13.81228296,20.99937282,27.44243652,3.430304565,13.81228744,1.146031746,0.114726838,0.014340855,-1.73216104,23.17999731,2.897499664,2.514631778,0,11.99635523,15.99825889,-0.346260036,0.288304135,4.283680906,7.767379081,7,17,15,15,5,2,2,0,0,2,13.80607,3.628956876,3.047579809,2.619399397,2.459709582,1.742151589,1.091842611,0.478347969,0.083923071,1.805289678,1.442627185,1.368706798,0.913878678,0.537735266,0.083923071,0.083923071,0.083923071,3.566954766,2.925360336,2.647376251,2.395697843,1.778275414,0.636103921,0.519190137,0.270913902,1.792363373,1.429461812,1.26926762,0.951745819,0.512866229,0.270913902,0.270913902,0.270913902,3.687319938,3.19735039,2.902829624,2.698498365,2.104993041,1.256598416,0.991234569,0.943918427,1.64068285,1.100571095,0.93902009,0.611269346,0.11028169,0.943918427,0.943918427,0.943918427,3.560869382,2.902501705,2.684188899,2.392142612,1.813062585,0.576636436,0.465081503,0.399277246,1.79369149,1.421155026,1.20445594,0.958391817,0.459200824,0.399277246,0.399277246,0.399277246,3.701767066,3.239950758,3.012513656,2.75844369,2.226844641,1.209058082,1.207644823,1.207644823,1.617742112,1.049106578,0.832444023,0.551534157,7.74E-04,1.150826734,1.207644823,1.207644823,4.520771536,3.401293565,3.117507987,2.754097296,2.035730823,1.735839693,0.811981724,0.529411765,1.680937834,1.163236956,1.101289523,0.614070057,0.141217666,0.529411765,0.529411765,0.529411765,0,0,1,1,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.471404521,0,0.166666667,0,0.186004234,0,0.024056261,0,1.276142375,1.138071187,0.666666667,0.369578292,0.266555884,0.131094349,6.568914101,3.718744015,2.771064349,2.259305623,0.804737854,0.166666667,0,0,0.821114263,0.531249145,0.346383044,0.282413203,0.201184464,0.166666667,0,0,5.39384685,2.432521985,1.46326946,0.940383383,0.278838768,0.058925565,0,0,0.674230856,0.347503141,0.182908683,0.117547923,0.069709692,0.058925565,0,0,10.13873723,18.10050983,17.3254902,17.6,10.9532515,138.193012,0.563263179,1.00558388,0.962527233,0.977777778,0.608513972,7.677389554,1.05179,31.177,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,52,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,2,0,1,0,0,0,0,0,0,0,0,3,0,0,0,1,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.84796296,2.103009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.459097222,0,0,0,0.854583333,0,0.459097222,0,0,0,0,0,0,0,0,4.882361111,0,0,0,1.71412037,0,0,0,0,0.388888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.45231481,4.395648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.395648148,-0.256944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.459097222,0,0,0,0.395902778,0,0.459097222,0,0,0,0,0,0,0,0,1.37037037,0,0,0,1.71412037,0,0,0,0,-0.256944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.45231481,4.395648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.45231481,1.71412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.459097222,0,0,0,0.458680556,0,0.459097222,0,0,0,0,0,0,0,0,1.79787037,0,0,0,1.71412037,0,0,0,0,0.645833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.45231481,4.395648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.83333333,2.729166667,0.616319444,10.45231481,0.338541667,-0.256944444,2.53430037,1.923611111,3.452314815,8.695925926,1.923611111,3.452314815,8.695925926,3.66666,0.45833,0,0.04167,0.56296,0.89167,0.42308,0.53667,0.89167,0.13989,0.0263,-0.11359,0,0.51402,0.20027,0,0.5,0.27273,0,7.25,0.90625,4.25,0.53125,3,0.375,-1.25,-0.15625,0,0,4.78302,0.59788,9.0653,4.28228,0.53528,1.9009,0.23761,3.71873,1.81783,0.22723,0.19527,0.02441,0.19527,0.02441,0,7.02,2,2,2,2,0,0,0.5,1.351644115,2.47385139,3.044110418,3.377443751,3.377443751,2.914118751,24.32959407,44.52932501,54.79398752,60.79398752,60.79398752,52.45413752,0.324141109,0.593260404,0.730015628,0.809953117,0.809953117,0.698842006,2.818280886,1.696073612,1.125814584,0.79248125,0.79248125,1.255806251,0.318189072,0.582366667,0.716610726,0.795080363,0.795080363,0.686009529,12.44827692,23.49459827,25.29067237,25.62661405,25.62661405,20.06671405,29.36606616,18.22472917,16.74051876,16.15555626,16.15555626,13.37560625,8,3.9375,2.8125,8,5,4,1.9,0.9854,0.766309432,1.5,2.941682753,0,0,1.414213562,0,1,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.418,0.634,0.224,3.275,8,8,4,1,0,0,0,0,0,36,2.302585093,2.63905733,2.833213344,2.302585093,1.098612289,0,0,0,0,0,4.060443011,1.583333333,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,5,0.714285714,0,3,5,0.666666667,2,1.333333333,0.375,0.08,0,0,0,0,0,0,0.285714286,0.166666667,0.046875,0.02,0,0,0,0,0,0,0.519255952,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,26.3,124.6399025,4,3.433987204,4.143134726,4.875197323,5.609471795,6.34738921,7.085901464,7.825245291,8.564649133,9.304285985,72.18926213,2.708050201,0,3.850147602,0,5.209486153,0,6.642486801,0,8.103191752,8.371242136,114.0680796,6.337115531,14.49160575,1.811450719,5.077950154,5.077950154,0,68,8,1.238,30,1.224747585,2.104631739,3.063643553,3.780588868,4.511911399,5.576141693,7.054241116,0,0,0,102.9560731,129.3398524,201.5341071,141.3131284,76.9085667,30.14470367,7.167560445,0,0,0,291.3405292,363.8169708,571.5672073,509.6742895,448.2492891,357.9575247,219.272228,0,0,0,9.553298228,16.47407594,23.67232698,30.72286765,34.47517174,38.34411048,47.39366498,0,0,0,1.994081701,2.575975059,4.03928114,3.78886319,3.908499911,3.955622323,3.136406634,0,0,0,178.5240877,338.5566224,468.5979143,623.9516045,761.9169334,960.9520897,1304.453704,0,0,0,4.34525894,7.519492161,11.74748453,14.73553919,11.95624768,7.78324059,7.054241116,0,0,0,0.46179244,0.616684438,0.975821396,0.978703418,0.946399734,0.874693718,0.72235429,0,0,0,315.7273128,231.9662377,13.53213416,125.6043759,-92.28208436,-16.51254791,190.1229369,324.2483221,30.04468207,0.715396879,0.525605216,0.03066205,0.284603121,-0.209099158,-0.037415278,139.3404681,102.3740514,5.97215962,55.4331913,-40.72700812,-7.287510652,0.392377509,0.429274888,2.813461525,4.303292025,390.41786,50.91382864,0.88463591,0.11536409,594.9993694,24.39260891,8.410829614,695.2080159,26.3667976,8.858732551,1005.873563,31.71550982,10.01954034,1.685218682,1.618285744,529.3005523,427.4866516,111.5253234,1.238168608,4.746012263,3.833090448,4.019798029,4.439988902,7.799525213,0.756654214,4.11605057,3.938992344,2.352611239,6.819968512,5.276635017,4.46402776,6.276644407,4.64419565,5.400807433,0.110348722,0.386749384,3.427393889,2.796313784,1.59E-04,0.017970675,4.91E-22,2.58E-63,2.62E-126,5.14E-211,1.9407353E-317,0,0,0,0,0,0,0,0,0,0,0.352890917,4.204741485,0.232555747,4.412236789,1.306164067,0.641296136,0.726087245,0.260543667,0.706240005,0.00862048,0.038853304,0.27499325,0.141235358,1.12E-06,1.27E-04,3.46E-24,1.82E-65,1.85E-128,3.62E-213,1.3669E-319,0,0,0,0,0,0,0,0,0,0,1.11774998,3.697439248,0.515005644,4.3484793,1.926204333,1.005524028,1.510186355,0.708731426,1.146782671,0.027857722,0.062132899,0.895976815,0.517495154,1.17E-05,0.001318946,3.60E-23,1.90E-64,1.93E-127,3.77E-212,1.42439E-318,0,0,0,0,0,0,0,0,0,0,3.887526356,4.210216228,2.661235521,7.226664672,4.993053634,4.238497614,6.597839057,4.456892603,5.25219948,0.104491032,0.349050548,3.226450454,2.57515321,1.42E-04,0.016011548,4.37E-22,2.30E-63,2.34E-126,4.58E-211,1.72916E-317,0,0,0,0,0,0,0,0,0,0,1.64393159,3.50510832,0.629012581,4.393706021,2.409229224,1.386812927,1.953324742,1.09529743,1.569818822,0.041286237,0.092163527,1.328939899,0.824984967,2.54E-05,0.002864927,7.82E-23,4.12E-64,4.18E-127,8.19E-212,3.09397E-318,0,0,0,0,0,0,0,0,0,0,4.970736649,4.114677046,3.216618742,7.939939398,6.470360694,5.841907029,8.333010539,6.428535534,7.186286002,0.136256249,0.5474276,4.18043011,3.681728834,2.33E-04,0.026208541,7.15E-22,3.77E-63,3.83E-126,7.49E-211,2.83038E-317,0,0,0,0,0,0,0,0,0,0,2.323448681,4.505834581,1.851668707,8.329755886,3.230778776,2.320438271,5.425389143,2.78777499,3.207038298,0.060361955,0.139852536,1.875028197,1.226835619,4.47E-05,0.005036764,1.37E-22,7.24E-64,7.35E-127,1.44E-211,5.43943E-318,0,0,0,0,0,0,0,0,0,0,5.807049726,1.356387958,0.267667234,0.781451721,0.182528436,0.546537901,0.468183322,0.333322279,7.431104918,9.794029871,19.33344582,0.672177581,1.348043501,3.807055199,0.987926559,0.04254761,0.786983377,0.204221305,0.237109083,0.248116072,0.008422175,4.837529367,3.965105954,8.962660752,0.680475066,0.49364733,4.656535938,1.050138939,0.128740485,0.79797849,0.179959587,0.351598237,0.280751735,0.077108846,5.835415362,5.6246898,12.08964738,0.696967735,0.709458818,5.63354434,1.355661689,0.251253067,0.778064521,0.187234217,0.514913504,0.468049882,0.293695076,7.240459097,9.39323969,18.55256375,0.667096782,1.276658462,5.095434403,1.105741657,0.175630209,0.799057426,0.173400541,0.420384218,0.310758782,0.143506759,6.376806269,6.723347927,14.0896959,0.698586139,0.874649759,5.929315571,1.403581433,0.283892779,0.778453356,0.184274671,0.569935003,0.501441755,0.374957992,7.616789783,10.40403376,20.38345796,0.667680034,1.44633475,5.660431004,1.371871989,0.253944948,0.776865,0.188282364,0.520041748,0.479399489,0.300021982,7.286247941,9.551204557,18.80943323,0.665297499,1.299463219 +UMLYSI0270,L,tert-butyl ethyl ether,CCOC(C)(C)C,saturated ethers,C6H14O,637-92-3,12512,PubChem,,37.9,0,1.2322,1.51831684,31.1101,20.697102,0,0,21,7,14,0,6,0,1,0,0,0,0,0,0,0,1135.777623,1130.883694,1560.674488,1018.818532,678.153675,236.216736,27.433728,0,0,3192.664609,3905.83924,5079.414183,5159.465968,4175.0709,2624.766494,839.2610996,0,0,152.653308,149.87668,276.226816,326.479504,332.137452,249.049728,181.398528,0,0,23.60118467,29.42390034,38.95208408,42.51137946,40.41504601,28.04682987,12.00454843,0,0,3535.064551,2957.579749,6038.564436,6901.345611,8129.365532,6084.723595,4992.776605,0,0,46.0625,47.125,81.625,98,68.25,54,27,0,0,54.08464871,56.5441847,42.18039157,24.2575841,14.12820156,6.561576,1.016064,0,0,152.0316481,195.291962,137.2814644,122.8444278,86.98064374,72.9101804,31.08374443,0,0,7.269205143,7.493834,7.465589622,7.773321524,6.91953025,6.918048,6.718464,0,0,1.123865937,1.471195017,1.052759029,1.012175701,0.841980125,0.779078607,0.444612905,0,0,168.3364072,147.8789875,163.2044442,164.3177526,169.3617819,169.0200999,184.917652,0,0,2.193452381,2.35625,2.206081081,2.333333333,1.421875,1.5,1,0,0,0.166436319,-0.054588677,0.044997046,-0.124766774,0.025365672,0.008140813,0.01763376,0,0,638.6281311,-22.56118033,244.1002102,-773.1422317,58.80257639,-228.296588,401.7831478,0,0,965.983639,-166.0761568,172.8556394,-664.4185488,45.24363858,-472.6039513,602.0075595,0,0,1.082321143,0.050429388,0.098701796,-1.142508571,0.150912245,0.059823184,0.241481388,0,0,4.253148428,-1.120695763,-0.135811752,-1.07469462,0.08575298,-2.200139906,2.319014847,0,0,23.45618849,-6.732245357,-2.325653368,-2.958221662,0.327266054,-12.05510401,12.0158641,0,0,8.05952381,-2.776927438,6.660005669,-11.97321429,2.765731293,-1.923469388,3.218112245,0,0,0.007925539,-0.002729434,0.001216136,-0.002970637,5.28E-04,2.26E-04,6.53E-04,0,0,30.41086339,-1.128059016,6.597302979,-18.40814837,1.225053675,-6.341571888,14.88085733,0,0,45.9992209,-8.303807841,4.671774038,-15.81948926,0.942575804,-13.12788754,22.29657628,0,0,0.051539102,0.002521469,0.002667616,-0.027202585,0.003144005,0.001661755,0.008943755,0,0,0.202530878,-0.056034788,-0.003670588,-0.025587967,0.00178652,-0.061114997,0.085889439,0,0,1.116961357,-0.336612268,-0.062855496,-0.070433849,0.006818043,-0.334864,0.445032004,0,0,0.383786848,-0.138846372,0.180000153,-0.285076531,0.057619402,-0.053429705,0.119189342,0,0,-0.344384631,0.153445258,-0.374818353,0.066677042,0.028532279,0.082404771,0,0,-0.037093949,0.216939023,-0.605314888,0.040283423,-0.208529821,0.489327026,0,0,-0.180520619,0.101562025,-0.343907765,0.020491125,-0.285393693,0.48471639,0,0,0.048923425,0.051759072,-0.527804792,0.061002326,0.032242609,0.17353339,0,0,-0.276672816,-0.018123596,-0.126341067,0.008820978,-0.301756444,0.424080712,0,0,-0.301364291,-0.056273654,-0.063058448,0.006104099,-0.299799092,0.398430976,0,0,-0.361779911,0.469010739,-0.742799114,0.150133863,-0.139217134,0.3105613,0,0,1.353591002,1.395720553,2.911559783,0.07300429,0.152675056,1.85E-05,0,0,1.351907573,0.934435803,1.908138228,0.710894982,0.947859976,0,0,0,1.667047457,0.967078381,1.356602734,0.873956624,1.165275499,0,0,0,0.915140581,1.469706163,3.081659066,0.082170621,0.109560827,0,0,0,1.833557922,1.089189805,1.139092113,0.887364063,1.183152084,0,0,0,1.868478074,1.138102082,1.109899674,0.874009117,1.165345489,0,0,0,1.457902511,0.834165037,2.789881832,0.218103767,0.620384047,0,0,0,23.92995784,12.08997892,17.56310591,24.10852927,3.44407561,12.08999471,0.25,0.109750604,0.015678658,-1.546681308,24.78260572,3.540372246,2.247099417,23.93971729,12.09449143,17.5715384,24.11776413,3.445394875,12.09450715,0.249265579,0.109870699,0.015695814,-1.545915745,24.77685299,3.539550428,2.246936909,32.65792685,16.12946619,25.15486783,32.37293079,4.624704399,16.12946643,-0.398994478,0.186098166,0.026585452,-1.177036677,22.28664214,3.18380602,2.172791244,23.94996027,12.09922754,17.58038893,24.12745656,3.446779508,12.09924317,0.2484948,0.109996633,0.015713805,-1.545113864,24.77082947,3.538689924,2.246766711,41.97515566,20.4464307,33.2966172,41.20208832,5.886012618,20.4464307,-1.082294264,0.229495589,0.032785084,-1.030310029,21.49298943,3.070427062,2.147408766,24.95329075,12.56321247,18.44845475,25.07695802,3.582422575,12.56322204,0.173134186,0.121795141,0.017399306,-1.473790371,24.24409923,3.463442746,2.23172128,26.46802052,13.37250232,18.66919593,26.66586633,3.809409475,13.37250633,0.276984127,0.008497844,0.001213978,-3.337559942,23.70002585,3.385717978,2.215833297,0,11.89,15.99491614,-0.37532892,0.13229448,4.890682456,7.804268654,6,20,20,20,6,0,0,0,0,0,17.220898,3.519314114,3.029617161,2.333552793,2.333552793,2.018604347,1.200672847,0.122305138,0.083923071,1.831960995,1.612647306,1.249629723,1.249629723,0.862107122,0.083923071,0.083923071,0.083923071,3.472995964,3.051058965,2.405454588,2.405454588,1.955140137,1.138425311,0.270913902,0.270913902,1.809128102,1.537773219,1.134540686,1.134540686,0.776574283,0.033396038,0.270913902,0.270913902,3.637030131,3.250581454,2.704236987,2.704236987,2.350785513,1.603660661,0.943918427,0.943918427,1.601124845,1.271212343,0.76031856,0.76031856,0.323933109,0.516630601,0.943918427,0.943918427,3.473395055,3.076282087,2.457539916,2.457539916,1.977499888,1.141809823,0.399277246,0.399277246,1.796163695,1.488590189,1.058262671,1.058262671,0.724052439,0.017890727,0.399277246,0.399277246,3.674819843,3.334171183,2.838982085,2.838982085,2.464688447,1.697295133,1.207644823,1.207644823,1.559100863,1.191092701,0.631337262,0.631337262,0.198677254,0.610216754,1.207644823,1.207644823,3.633053968,3.160295413,2.591598066,2.591598066,2.38191948,1.51614112,0.558139535,0.558139535,1.699631953,1.40722259,0.917179462,0.917179462,0.53324135,0.344034749,0.558139535,0.558139535,0,0,0,0,0,5,0,1,0,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.112372436,0.204124145,0,0,0.75,1,0.25,0.433012702,0.577350269,0.144337567,5.914213562,3.060660172,3.310660172,1,0.75,0,0,0,0.844887652,0.510110029,0.413832521,0.25,0.25,0,0,0,5.615355072,2.699906061,2.545385138,0.577350269,0.433012702,0,0,0,0.802193582,0.449984344,0.318173142,0.144337567,0.144337567,0,0,0,10.50759373,20.54552076,19.42745098,19.72,12.07012096,162.609612,0.500361606,0.978358131,0.925116713,0.939047619,0.574767665,7.743314856,1.8214,31.379,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,38,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,4,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.229166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.694444444,0,0,0,0,0,0,0,0,0,0,0,8.161458333,0,0.809027778,0,0,0,0,0,0,0,0,0,0.050347222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.229166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.229166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,2.005208333,0,0.809027778,0,0,0,0,0,0,0,0,0,0.050347222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.229166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.229166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.052083333,0,0.809027778,0,0,0,0,0,0,0,0,0,0.050347222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.229166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.25,2.035714286,0.45,5.229166667,0.055555556,0.050347222,3.928036458,1.199652778,1.729166667,3.78125,1.199652778,1.729166667,3.78125,3.33333,0.47619,0,0.02381,0.46984,0.80952,0.42174,0.46984,0.80952,0.0481,0,-0.0481,0,0.58823,0.12606,0,0.6,0,0.15,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,6.69849,0.95693,7.77542,1.07694,0.15385,2.56702,0.36672,3.06066,0.49364,0.07052,0.35334,0.05048,0.35334,0.05048,0,6.01,1,1,1,1,0,0,1,1.115520094,1.473128427,2.022106113,2.485693612,2.27653564,1.858219695,23.42592197,30.93569697,42.46422837,52.19956586,47.80724844,39.02261359,0.253970737,0.335387515,0.460373402,0.565918483,0.518299435,0.42306134,3.276797329,2.919188996,2.37021131,1.90662381,2.115781783,2.534097728,0.258107046,0.340849823,0.467871299,0.575135347,0.526740749,0.429951553,9.935135927,14.22643593,16.47832102,16.94553611,13.60007219,8.580280853,25.72285013,20.57911768,18.83932368,19.22126995,17.54800617,15.0381105,7,2.34375,6,7,0,2,2.01,1.0127,2.121320344,1.754765351,0,3.039342743,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.347,0.337,0.233,0.033,2.716,8,4,3,0,0,0,0,0,0,28,1.945910149,2.197224577,1.609437912,1.386294361,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,3,0.666666667,0.375,0,0,0,0,0,0,0,0.5,0.083333333,0.09375,0,0,0,0,0,0,0,0.677083333,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,9.23,121.1225932,3.807354922,3.36729583,3.970291914,4.812184355,5.433722004,6.285998095,6.91274282,7.767687277,8.395929104,9.25157828,69.19742968,2.564949357,0,3.80666249,0,5.198497031,0,6.650279049,0,8.123557835,8.386628821,102.1044651,4.862117384,12.44898539,1.778426484,2.737436867,2.737436867,0,46,4,1.743,28,1.2239,2.089208616,2.887553597,3.426775341,4.037256882,5.011553655,0,0,0,0,80.31687478,99.64251241,73.60252471,56.06784676,29.97543059,5.092059253,0,0,0,0,260.8372223,311.8979353,364.9591986,318.2973415,320.6398265,155.777853,0,0,0,0,9.248938802,15.73458616,22.44371583,23.75097869,28.05535055,33.66994282,0,0,0,0,1.90483678,2.331578948,2.98785545,3.003820962,3.355510453,2.228201428,0,0,0,0,179.4180724,337.0014155,472.6687392,577.6350203,672.3879324,926.7247349,0,0,0,0,2.9768375,4.903662683,6.780332685,4.99645324,6.370072969,5.011553655,0,0,0,0,0.4256175,0.55564744,0.707920397,0.649443719,0.734410598,0.513183094,0,0,0,0,376.83057,198.174707,11.33226448,115.9113926,-60.95765073,-10.52876758,260.9191774,259.1323577,21.86103206,0.764762489,0.402187599,0.022998375,0.235237511,-0.123711101,-0.02136771,185.6802346,97.64899406,5.583882238,57.11440708,-30.03639245,-5.1879656,0.11496239,0.713661659,0,12.54007693,475.1705031,17.57145949,0.96433943,0.03566057,443.6860744,21.06385706,7.627085227,579.3045795,24.06874695,8.33621654,762.9556408,27.62165167,9.137620057,1.397961588,1.200596785,308.0735684,303.7224398,118.3047582,1.014326003,2.604067437,2.567288454,3.703563424,3.135794421,6.184431767,0.972205743,3.90460794,5.640349653,4.281894544,11.52914727,9.224267268,4.249973516,5.263417656,5.805093586,3.866866397,1.361670581,1.174763101,9.47E-05,2.59E-29,1.37E-75,1.40E-143,2.75E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686927,4.821154021,0.299289632,4.665598561,0.490999345,0.927261816,1.018511952,0.404694095,0.190708043,0.113453916,0.008273953,6.67E-07,1.83E-31,9.65E-78,9.84E-146,1.93E-235,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.057812657,4.420401496,0.761867976,5.285888258,1.405822078,1.359254179,1.362508293,1.347028223,0.703213436,0.366784487,0.086220965,6.95E-06,1.90E-30,1.01E-76,1.02E-144,2.01E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631458,5.775620203,4.473356134,11.4388252,9.228260132,3.959448076,4.818711662,5.4178814,3.55766165,1.284740191,1.046692773,8.43E-05,2.31E-29,1.22E-75,1.24E-143,2.45E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021119,4.333844847,1.041657664,5.932786802,2.077088509,1.728917924,1.753785949,2.041419126,1.125662896,0.541120613,0.187283458,1.51E-05,4.13E-30,2.18E-76,2.23E-144,4.38E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379565,6.296152785,5.928245716,13.8477123,12.90684585,5.424574744,7.119831078,7.303035159,5.107261779,1.647094455,1.713281577,1.38E-04,3.78E-29,2.00E-75,2.04E-143,4.00E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.345842044,4.586763994,2.734631848,9.576150207,5.306833009,2.253818316,2.67464147,3.255791195,1.865886712,0.845045144,0.365961896,2.95E-05,8.08E-30,4.27E-76,4.35E-144,8.55E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.398777625,1.103364988,1.057280746,0.611354345,0.198467524,0.500536477,0.465674846,0.410736199,5.559423358,8.510120932,18.0344446,0.417031517,1.376947521,2.418137256,0.618224734,0.558208892,0.672719313,0.171988467,0.253102917,0.137267464,0.119113271,3.594570882,3.189876525,7.618943053,0.50907897,0.509483652,2.933351482,0.812364158,0.795000637,0.64601074,0.17890661,0.372694464,0.265085094,0.249248027,4.540716278,5.360795929,11.79595866,0.46901611,0.887027586,3.325610755,1.07336575,1.039197192,0.611530808,0.197376143,0.479122827,0.444458877,0.40180502,5.438173697,8.141000714,17.28868926,0.417296212,1.325386724,3.140323923,0.919514405,0.880483394,0.635651704,0.186124398,0.42729846,0.323951787,0.2855523,4.940321722,6.462193314,13.94497518,0.453477557,1.036802547,3.439549156,1.133834322,1.087314204,0.607619299,0.200299395,0.512612003,0.491804915,0.43448004,5.660697682,8.872583701,18.77367509,0.411428948,1.438896958,3.364492512,1.08664239,1.04584948,0.612061501,0.19767973,0.490433538,0.452961092,0.403588885,5.496984381,8.311217306,17.63182758,0.418092252,1.346983515 +UMLYSI0271,L,2-octanone,CCCCCCC(=O)C,saturated alkanone,C8H16O,111-13-7,8093,PubChem,,37.9,0,-1.3198,1.74187204,32.8647,25.550688,0,0,25,9,16,0,8,0,1,0,0,0,0,0,0,0,1426.337993,1395.726244,1575.873696,1307.043074,1068.001753,871.245024,674.488295,477.731566,127.119888,4101.865902,5103.133676,6471.633629,6267.903334,5201.566564,4194.768219,3187.969874,2181.171529,1120.963057,181.171268,176.699608,324.2724,413.72168,362.73406,299.84916,236.96426,174.07936,111.43008,30.06821048,38.67834896,53.25497401,54.46422728,46.50607189,37.48454303,28.46301417,19.44148531,10.95324725,4158.488567,3490.864584,7082.733206,9456.365982,8531.363909,7052.408754,5573.453599,4094.498444,2583.794029,87.02777778,56.5,91.58333333,118.8333333,91.58333333,79.33333333,67.16666667,57.5,39,57.05351972,58.15526017,35.01941547,22.93058025,20.94121084,20.74392914,20.43903924,19.90548192,8.4746592,164.0746361,212.6305698,143.8140806,109.9632164,101.9915013,99.87543379,96.6051477,90.88214705,74.73087045,7.24685072,7.362483667,7.206053333,7.258275088,7.112432549,7.139265714,7.180735152,7.253306667,7.428672,1.202728419,1.611597873,1.183443867,0.955512759,0.911883763,0.89248912,0.862515581,0.810061888,0.730216483,166.3395427,145.452691,157.3940712,165.9011576,167.2816453,167.9144941,168.8925333,170.6041018,172.2529352,3.481111111,2.354166667,2.035185185,2.084795322,1.795751634,1.888888889,2.035353535,2.395833333,2.6,0.134295994,-0.042910108,0.005050346,-0.033996155,0.00143681,-6.69E-04,0.002475822,0.017316454,-0.022255835,768.774544,-47.36742976,-116.743805,-219.3965041,15.01093536,13.16459792,11.31826048,9.47192304,-202.6593492,1217.082179,-96.77620442,-369.1454128,-212.1670588,9.267178906,9.021139293,8.775099681,8.529060069,-206.3032713,1.10707456,-0.003873818,0.088147552,-0.317218957,-0.014320742,-0.029029581,-0.043738419,-0.058447258,-0.250835136,5.405687815,-0.45802099,-2.082524045,-0.485012939,-0.03349713,-0.034068504,-0.034639879,-0.035211253,-0.498904632,29.76971422,-2.530394954,-12.02528539,-1.946177403,-0.323417574,-0.332610272,-0.34180297,-0.350995669,-2.061922699,34.70666667,-0.325066667,4.204666667,-9.254533333,-1.3216,-2.0272,-2.649466667,-0.0484,-7.727333333,0.00537184,-0.001787921,1.12E-04,-5.96E-04,2.82E-05,-1.59E-05,7.50E-05,7.22E-04,-0.001483722,30.75098176,-1.973642907,-2.594306778,-3.849061475,0.294332066,0.313442808,0.34297759,0.39466346,-13.51062328,48.68328717,-4.032341851,-8.203231395,-3.722229103,0.18170939,0.214789031,0.265912112,0.355377503,-13.75355142,0.044282982,-1.61E-04,0.001958834,-0.005565245,-2.81E-04,-6.91E-04,-0.001325407,-0.002435302,-0.016722342,0.216227513,-0.019084208,-0.046278312,-0.008508999,-6.57E-04,-8.11E-04,-0.001049693,-0.001467136,-0.033260309,1.190788569,-0.105433123,-0.267228564,-0.034143463,-0.006341521,-0.007919292,-0.010357666,-0.01462482,-0.137461513,1.388266667,-0.013544444,0.093437037,-0.162360234,-0.025913725,-0.048266667,-0.080286869,-0.002016667,-0.515155556,-0.332832183,0.020892268,-0.111027841,0.005244525,-0.002966714,0.013966335,0.13431505,-0.276203753,-0.06418146,-0.084365007,-0.125168735,0.009571469,0.010192937,0.011153387,0.012834174,-0.439355835,-0.082828052,-0.168502003,-0.076458048,0.00373248,0.004411966,0.005462082,0.007299784,-0.282510739,-0.003644946,0.044234475,-0.125674572,-0.006341011,-0.015608264,-0.029930383,-0.054994092,-0.377624575,-0.08825985,-0.214026011,-0.039352064,-0.003037571,-0.003751395,-0.004854578,-0.006785147,-0.153820892,-0.088540591,-0.224413108,-0.028672985,-0.00532548,-0.00665046,-0.008698157,-0.012281626,-0.115437381,-0.009756371,0.067304819,-0.116951763,-0.018666245,-0.034767576,-0.057832454,-0.001452651,-0.371078243,1.115335187,0.767186085,1.223177216,0.75450572,0.869284527,1.024977503,1.23023178,2.039860066,1.27017752,1.102889283,1.107747606,0.883509846,0.892857143,0.907302965,0.932583154,1.457474166,1.493936626,1.297575507,1.012731493,0.909386408,0.892857143,0.867311915,0.822607765,1.052422779,0.543739349,0.545713079,1.337402053,0.755456211,0.892857143,1.105204037,1.476811101,2.547852242,1.559118204,1.365173393,0.973594845,0.910521191,0.892857143,0.865558159,0.817784937,0.901774385,1.562487086,1.372828765,0.967191448,0.90813184,0.892857143,0.869250793,0.827939682,0.881503375,0.537840953,0.497502881,1.335503569,0.753655285,0.906920586,1.142038906,1.456252401,2.627737226,49.99308186,25.12154093,40.48047983,50.1875263,5.576391812,25.12154093,0.25,0.116565973,0.012951775,-1.934368091,40.81214181,4.534682423,3.338081667,49.99496711,25.12211634,40.4812299,50.18884034,5.576537815,25.12211634,0.249265579,0.116543126,0.012949236,-1.934544501,40.81387621,4.534875135,3.338119914,51.67466822,25.63783687,41.16418943,51.36433918,5.707148797,25.63783687,-0.398994478,0.095401091,0.010600121,-2.114698742,42.73116692,4.747907436,3.379435703,49.99694574,25.12272027,40.48201716,50.19021947,5.576691052,25.12272027,0.2484948,0.116519147,0.012946572,-1.934729702,40.81569736,4.535077485,3.338160072,53.47525611,26.19648092,41.93141533,52.63347168,5.848163521,26.19648092,-1.082294264,0.070758768,0.007862085,-2.383630943,46.06630998,5.118478887,3.447073692,50.19062416,25.18187917,40.5592698,50.32528408,5.591698231,25.18187917,0.173134186,0.114161949,0.012684661,-1.953123507,40.99819325,4.555354805,3.342175199,55.54133955,27.79108122,45.57914268,55.89991539,6.21110171,27.79108122,0.645436508,0.153923929,0.017102659,-1.684167092,37.72567953,4.19174217,3.267306915,0,11.89,15.99491664,-0.299506431,0.191105574,4.095597609,7.250976597,8,24,23,23,7,1,1,0,0,1,18.449312,3.55072701,3.323011637,2.909872364,2.402943346,2.072900645,1.781266376,1.382481107,1.13541223,1.901214715,1.713683689,1.484184498,1.216543881,0.914272761,0.672121342,0.532974055,0.204129305,3.536392802,3.309831956,2.925351189,2.462084553,2.05077727,1.737522875,1.44534871,1.250023564,1.851281061,1.672123447,1.412041814,1.109954982,0.804542663,0.553783769,0.3945757,0.307833066,3.670575944,3.470962455,3.126220265,2.720525858,2.388533175,2.135990885,1.891069358,1.737135803,1.670305801,1.458043751,1.140339745,0.770190446,0.401046567,0.090441309,0.115456356,0.211989289,3.547822184,3.31854272,2.948213536,2.506128811,2.087780038,1.748552794,1.490272118,1.33014154,1.82279376,1.646754443,1.365246409,1.039748855,0.739283788,0.500987501,0.33830223,0.249156516,3.717398929,3.522381945,3.207475788,2.840513343,2.504653534,2.238964614,2.04675569,1.934052282,1.621467918,1.406569708,1.062281937,0.656381093,0.275624632,0.031263554,0.254839048,0.386926395,4.947845449,3.480006399,3.163115807,2.872265575,2.602768516,2.100735159,1.701439075,1.477187066,1.779424256,1.494274325,1.176689809,0.907722521,0.574017193,0.286385152,0.117462701,0.496942025,0,0,0,1,0,2,5,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.144337567,0,0,0,0.288675135,0.204124145,0.144337567,0.102062073,0.072168784,0.051031036,7.112884175,4.27005561,3.243182156,1.635027805,0.979362553,0.567513903,0.306186218,0.204124145,0.790320464,0.533756951,0.40539777,0.272504634,0.195872511,0.141878476,0.102062073,0.102062073,6.443782196,3.764784317,2.512675275,1.382392159,0.800722174,0.441196079,0.212861087,0.124472739,0.7159758,0.47059804,0.314084409,0.230398693,0.160144435,0.11029902,0.070953696,0.06223637,13.04942153,24.43335761,23.15294118,23.48,14.86867545,192.3805617,0.521976861,0.977334304,0.926117647,0.9392,0.594747018,7.695222467,2.5458,39.44,26.27222476,41.81111968,52.54444952,5.838272169,26.27222476,0.068226739,0.007580749,-2.41642685,44.11417306,4.901574784,3.408103004,87,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,2,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.40689768,0.325095427,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.674726828,0.802777778,0,0,0,0,0,0,0,0,0,0,3.833048469,0,5.601625094,0,0,0,0,0,0,0.325095427,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.40689768,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.40689768,0.325095427,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.224633291,0.401388889,0,0,0,0,0,0,0,0,0,0,1.658676304,0,0.777777778,0,0,0,0,0,0,0.325095427,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.40689768,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.40689768,0.325095427,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.174372166,0,1.271111111,0,0,0,0,0,0,0.325095427,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.40689768,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.16666667,2.240740741,0.514333546,10.40689768,0.224633291,0.325095427,4.310021779,1.34157124,3.406897676,7.162539683,1.34157124,3.406897676,7.162539683,4.33333,0.48148,0,0.01852,0.47467,0.78519,0.42414,0.47467,0.78519,0.05053,0,-0.05053,0,0.61321,0.10108,0,0.30769,0.11538,0,5.75,0.63889,4.25,0.47222,1.5,0.16667,-2.75,-0.30556,0,0,7.87501,0.875,9.8423,1.96729,0.21859,3.52767,0.39196,4.27005,0.74238,0.08249,0.14395,0.01599,0.14395,0.01599,0,8.01,1,1,1,1,0,0,0.875,1.12385619,1.76385619,3.06346519,3.51326969,3.349275071,3.237405811,28.09640474,44.09640474,76.58662974,87.83174224,83.73187677,80.93514529,0.242009258,0.379825756,0.659681322,0.756541449,0.72122713,0.697137396,3.52,2.88,1.580391,1.1305865,1.294581119,1.406450378,0.242009258,0.379825756,0.659681322,0.756541449,0.72122713,0.697137396,9.698823506,17.37882351,20.44734998,20.56876,18.97664834,20.29073747,33.32875244,22.68963107,19.9340321,19.30939417,21.85174148,20.11566696,9,6.125,8,9,1,8,2.23,1.2515,0.142857143,3.20884416,0.816496581,0,5.676240019,1.919259748,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,4.386,8,6,5,4,3,2,0,0,0,45,2.302585093,2.397895273,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,0,0,0,3.988984047,1.177777778,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.625,7,0.875,0,4,7,0.75,1.5,0.444444444,0.25,0.16,0.111111111,0.081632653,0,0,0,0,0.1875,0.055555556,0.041666667,0.032,0.027777778,0.027210884,0,0,0,0,0.371710884,26.27222476,41.81111968,52.54444952,5.838272169,26.27222476,0.068226739,0.007580749,-2.41642685,44.11417306,4.901574784,3.408103004,17.07,153.0781037,4.169925001,3.496507561,4.110873864,4.795790546,5.433722004,6.124683391,6.771935556,7.463363046,8.115221973,8.805824813,72.11792275,2.833213344,0,3.891820298,0,5.081404365,0,6.329720906,0,7.609366538,7.940939762,128.1201151,5.124804605,16.66375611,1.851528457,2.377773399,2.377773399,0,114,6,2.714,32,1.235375,2.132393504,2.88780765,3.611714762,4.943063394,5.967946037,7.279338907,8.412197104,9.537594492,0,82.57073002,83.84924799,76.99974786,95.01613247,117.432786,139.4081514,156.4026359,72.61896806,9.69080641,0,288.0075883,329.9265652,346.1919993,430.1624625,539.6684423,631.9861081,700.1100223,647.1239454,296.4641497,0,9.127084548,15.4484167,21.01949369,25.79192162,35.37306094,42.89879091,52.81734716,62.24308107,64.07798524,0,2.129262229,2.657342536,2.925595434,3.700822077,4.706551019,5.519100899,6.160732131,6.332966159,4.240537592,0,177.5103941,331.9588859,475.5868656,590.4855746,821.0371612,995.038964,1232.576046,1439.372907,1763.669579,0,2.967618056,4.545978665,6.133083973,6.667400225,9.497086083,12.26349461,17.55505804,21.36964589,9.537594492,0,0.451450938,0.583046007,0.656814936,0.816503701,1.053794768,1.253571892,1.445875327,1.524586916,0.976649676,0,400.2868788,231.9393761,11.25412185,179.8579547,-104.2156114,-19.65095245,220.4289241,336.1549876,30.9050743,0.689977495,0.399795642,0.019398814,0.310022505,-0.179637231,-0.033872494,232.2243647,134.5584308,6.52902065,104.3436632,-60.46014854,-11.40039854,0.223621168,0.516848402,1.09708313,20.09178403,541.2711833,38.87365025,0.932993198,0.067006802,568.4587366,23.84237271,8.283864411,723.4513139,26.89705028,8.977107722,919.5420571,30.32395187,9.724274262,2.510785288,2.510785288,1152.28191,1094.723914,80.94585896,1.052577637,14.23521753,13.52414969,4.788001037,5.645455692,10.08488481,0.786372148,4.475623891,6.726772719,2.548206026,23.90517092,8.785040441,0.161442902,4.702666914,9.849305065,14.87149123,0.684942772,3.095199892,8.375337291,5.280554879,4.287850631,2.135976629,0.5868031,0.211099217,1.967410213,1.988457964,6.57E-08,8.54E-37,2.14E-87,1.04E-159,9.70E-254,0,0,0,0,0,0,0.392101864,6.726506417,0.175085645,6.376432718,0.151251423,0.003059475,0.753503741,0.382336508,5.258914711,0.026770657,0.025569695,1.475116351,0.267355707,2.381729422,0.187922963,0.020938155,0.019588604,0.128289003,0.014004872,4.62E-10,6.02E-39,1.51E-89,7.31E-162,6.83E-256,0,0,0,0,0,0,1.218374691,6.726406924,0.59073843,7.4233515,0.766830728,0.016306015,1.529633148,1.460492614,5.914663559,0.10665585,0.232390194,2.186178392,0.831154676,2.241270497,0.507389391,0.086021821,0.034223472,0.438395672,0.145941564,4.82E-09,6.27E-38,1.57E-88,7.62E-161,7.12E-255,0,0,0,0,0,0,4.229734703,6.726802007,2.378604047,22.51144417,8.100489616,0.145535708,4.47544514,9.121707604,14.92768582,0.625383178,2.7587834,8.070930274,5.154108047,4.306497487,2.20622973,0.534323963,0.190723164,1.831720551,1.771680246,5.85E-08,7.61E-37,1.91E-87,9.25E-160,8.64E-254,0,0,0,0,0,0,1.788084699,6.72638946,0.896484875,8.829733357,1.466598557,0.030928588,2.072618783,2.415173733,6.62595581,0.177665357,0.499000367,2.899576166,1.267652495,2.318706015,0.694843627,0.145670848,0.051531501,0.670662263,0.317004579,1.05E-08,1.36E-37,3.42E-88,1.66E-160,1.55E-254,0,0,0,0,0,0,5.404987032,6.726966451,3.203783658,31.9403517,12.76902206,0.230142928,5.616448463,13.49690542,18.78601136,0.927341112,4.509404725,10.6621797,7.291648252,5.206986581,2.767247429,0.801363353,0.296366164,2.496036244,2.899979062,9.57E-08,1.25E-36,3.13E-87,1.51E-159,1.41E-253,0,0,0,0,0,0,2.836895657,6.338906369,1.379095186,16.1253258,4.904958584,0.067002357,3.11556961,5.263392895,16.00146552,0.305599121,1.146761301,7.447101636,4.453628964,6.010448577,2.5108101,0.296826808,0.102263238,1.275807161,0.734082222,2.42E-08,3.15E-37,7.92E-88,3.83E-160,3.58E-254,0,0,0,0,0,0,9.672066399,0.790143158,0.464125452,0.885206832,0.07231548,0.543371579,0.529800784,0.55998227,10.92633501,12.49809483,26.97142371,0.827810248,1.633154634,8.658423535,0.571300623,0.091221475,0.92892115,0.061292131,0.443169791,0.241094992,0.02163205,9.320945633,5.788511813,15.5606902,0.893381725,0.705896834,8.996976417,0.586173874,0.240888144,0.91581242,0.059667303,0.471381048,0.291594218,0.150846194,9.824038435,7.582259809,18.67669234,0.873718631,0.91382146,9.638423027,0.813943113,0.448256614,0.884208475,0.074669414,0.539902777,0.564936936,0.522344372,10.90062275,12.5304703,26.94772359,0.826312713,1.627184085,9.188191937,0.603482051,0.311585811,0.909428454,0.05973142,0.490584113,0.31041769,0.252382276,10.1032598,8.595855597,20.42683034,0.864142681,1.053384079,9.758869724,0.82602155,0.491119207,0.881081662,0.074577534,0.553151447,0.578648957,0.627014156,11.07601048,13.25948011,28.29442055,0.821622493,1.75881456,9.676477723,0.820910286,0.44813861,0.884057758,0.074999615,0.544230435,0.574803607,0.522069393,10.94552662,12.64780497,27.15312965,0.826086637,1.641103435 +UMLYSI0272,L,3-methyl-2-pentanol,CCC(C)C(C)O,saturated alcohols,C6H14O,565-60-6,11261,PubChem,,37.7,0,-0.5627,0.31663129,29.2068,20.697102,0,0,21,7,14,0,6,0,1,0,0,0,0,0,0,0,1135.777623,1087.00373,1361.970887,1308.50539,716.863438,165.64464,12.192768,0,0,3192.664609,3993.903654,5295.890299,5649.126605,4428.015367,2043.877028,373.0049332,0,0,152.653308,149.736848,269.661164,352.197832,369.72352,293.227776,80.621568,0,0,23.60118467,30.29468402,42.76141892,47.58513324,41.75047006,23.62672708,5.335354858,0,0,3535.064551,2963.092506,5884.347641,7881.97967,8611.148358,7544.775529,2219.011824,0,0,67.80555556,49.77777778,77.66666667,108.6666667,109,64,12,0,0,54.08464871,54.3501865,36.81002397,27.26052896,14.05614584,3.94392,1.016064,0,0,152.0316481,199.6951827,143.1321702,117.6901376,86.82383072,48.66373877,31.08374443,0,0,7.269205143,7.4868424,7.288139568,7.337454833,7.249480784,6.981613714,6.718464,0,0,1.123865937,1.514734201,1.155714025,0.991356943,0.818636668,0.562541121,0.444612905,0,0,168.3364072,148.1546253,159.0364227,164.2079098,168.8460462,179.6375126,184.917652,0,0,3.228835979,2.488888889,2.099099099,2.263888889,2.137254902,1.523809524,1,0,0,0.224646391,-0.113275343,0.004919005,0.007412973,-0.027137912,-0.004047572,0.019805654,0,0,638.6281311,-66.44114433,-3.463459061,-176.7714558,-405.6037332,154.3954389,178.5702879,0,0,965.983639,-78.0117429,-100.9839761,-281.1015863,-601.5635316,311.1101021,267.5589153,0,0,1.082321143,-0.089402612,0.023806367,-0.217396898,-0.337877633,-0.027614857,0.107325061,0,0,4.253148428,-0.249912087,-0.751838106,-1.226362377,-2.359554291,1.430419381,1.030673265,0,0,23.45618849,-1.219488698,-4.60525269,-6.697365435,-12.35841147,7.812040009,5.340384043,0,0,24.47089947,-4.718316956,1.269526329,-2.491685563,-6.980914588,-1.600529101,2.286470144,0,0,0.010697447,-0.005663767,1.33E-04,1.54E-04,-5.32E-04,-9.64E-05,0.001650471,0,0,30.41086339,-3.322057216,-0.093607002,-3.682738662,-7.953014377,3.676081878,14.88085733,0,0,45.9992209,-3.900587145,-2.729296652,-5.856283048,-11.79536336,7.407383383,22.29657628,0,0,0.051539102,-0.004470131,6.43E-04,-0.004529102,-0.006625052,-6.57E-04,0.008943755,0,0,0.202530878,-0.012495604,-0.020319949,-0.025549216,-0.04626577,0.034057604,0.085889439,0,0,1.116961357,-0.060974435,-0.124466289,-0.139528447,-0.242321794,0.186000953,0.445032004,0,0,1.165280927,-0.235915848,0.034311522,-0.051910116,-0.136880678,-0.038107836,0.190539179,0,0,-0.52945035,0.012427832,0.014436804,-0.049742328,-0.009008762,0.154286448,0,0,-0.109239161,-0.003078078,-0.121099444,-0.261518862,0.12088055,0.489327026,0,0,-0.084796809,-0.059333541,-0.127312657,-0.256425286,0.161032801,0.48471639,0,0,-0.0867328,0.012484023,-0.087877007,-0.12854418,-0.012757238,0.17353339,0,0,-0.06169728,-0.100330128,-0.126149733,-0.228438108,0.168160059,0.424080712,0,0,-0.054589565,-0.111432941,-0.124917882,-0.216947339,0.166524071,0.398430976,0,0,-0.202454054,0.02944485,-0.044547297,-0.117465819,-0.032702703,0.163513514,0,0,1.448786995,0.718820244,1.091002328,1.206260598,0.853880845,0.389792778,0,0,1.420617299,1.082045994,1.172494026,1.204810739,0.567306936,0,0,0,1.575881923,1.239393568,1.155016432,1.142717256,0.450129302,0,0,0,1.044336986,0.805919564,1.286212516,1.269811219,0.780849131,0,0,0,1.628819317,1.312044903,1.161948339,1.106105029,0.397454179,0,0,0,1.633454525,1.324950818,1.166994685,1.097581487,0.388460203,0,0,0,1.17827027,0.779868517,1.236824324,1.268680445,0.797837838,0,0,0,26.20105106,13.22552553,19.32760354,26.37962249,3.768517498,13.2255305,0.25,0.080360541,0.011480077,-1.764862405,36.45166426,5.207380609,2.517190981,26.20415342,13.2267095,19.32909632,26.38220026,3.768885752,13.22671446,0.249265579,0.080274522,0.011467789,-1.765612098,36.43630078,5.205185825,2.516895886,29.01701237,14.30900895,20.80767699,28.73201631,4.104573759,14.30901048,-0.398994478,0.014035285,0.002005041,-2.986326555,27.50159244,3.92879892,2.319970737,26.20740961,13.2279522,19.33066339,26.38490589,3.76927227,13.22795716,0.2484948,0.080184202,0.011454886,-1.766400139,36.42019314,5.202884734,2.516586364,32.10030928,15.50900751,22.84222342,31.32724194,4.475320278,15.50900796,-1.082294264,0.150414746,0.021487821,-1.32605118,26.72196111,3.817423016,2.299840019,26.52694105,13.35003762,19.48578549,26.65060833,3.807229761,13.35004192,0.173134186,0.071138079,0.010162583,-1.850192757,34.92320189,4.989028842,2.487205993,31.8237509,16.16419027,24.6765233,32.18420064,4.597742948,16.16419054,0.50462963,0.092860457,0.01326578,-1.663660161,28.84216469,4.120309242,2.353286858,0,11.99635526,15.9979425,-0.418101547,0.080005948,4.733964966,7.877254113,6,20,20,20,6,0,0,0,0,0,15.304898,3.530925278,2.969690661,2.61458724,2.127476547,1.822861601,1.282877649,0.781786783,0.083923071,1.889334282,1.547805305,1.387807541,0.932345095,0.761690197,0.43279253,0.258940342,0.083923071,3.530383836,2.974415706,2.665522769,2.046346327,1.832480926,1.291064164,0.889905583,0.270913902,1.845145886,1.477842795,1.28756805,0.852482374,0.710478098,0.33999918,0.105406511,0.270913902,3.662236665,3.189205746,2.917151162,2.451890077,2.241331963,1.784340836,1.437293572,0.943918427,1.663376143,1.197727913,0.9599899,0.411783825,0.221692242,0.219365569,0.489846201,0.943918427,3.542910096,2.997603714,2.706466431,2.077781939,1.855477125,1.325419155,0.972792654,0.399277246,1.818239002,1.434118386,1.222009021,0.821296367,0.649379475,0.261767968,0.003539345,0.399277246,3.711048797,3.26988859,3.030142492,2.55228296,2.379135341,1.950416949,1.653563221,1.207644823,1.615280543,1.117357699,0.851952373,0.286757907,0.095274595,0.380952403,0.702092198,1.207644823,4.247203543,3.395281042,2.961342933,2.827199804,2.110738203,1.627912985,1.141594188,0.590163934,1.779393035,1.272309185,1.051669056,0.576072054,0.339510048,0.067289531,0.312522297,0.590163934,0,0,0,0,0,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.384773459,0,0.105409255,0,1.276142375,0.707106781,0.23570226,0.83129423,0.446520771,0.105409255,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,5.309020915,2.861587833,2.126135596,1.467466598,0.341111516,0,0,0,0.758431559,0.476931306,0.303733657,0.244577766,0.170555758,0,0,0,10.50759373,20.54552076,19.42745098,19.72,12.07012096,162.609612,0.500361606,0.978358131,0.925116713,0.939047619,0.574767665,7.743314856,1.4133,31.1358,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.562777778,0,8.82087963,0,0,0,0,0,0,0,0,0,0,0.562777778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.837222222,0,0,0,0,0,0,0,0,0,0,0,5.954583333,0,1.06712963,0,0,0,0.324074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.82087963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.562777778,0,8.82087963,0,0,0,0,0,0,0,0,0,0,0.562777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,1.827546296,0,1.06712963,0,0,0,-0.134259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.82087963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.562777778,0,8.82087963,0,0,0,0,0,0,0,0,0,0,0.562777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.080740741,0,1.06712963,0,0,0,0.458333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.82087963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.16666667,2.30952381,0.562777778,8.82087963,0.24,-0.134259259,3.224467963,1.467592593,2.82087963,5.895833333,1.467592593,2.82087963,5.895833333,3.33333,0.47619,0,0.02381,0.46984,0.80952,0.42174,0.46984,0.74583,0.0481,0,-0.0481,0.06369,0.58823,0.12606,0,0.55,0.3,0,3.25,0.46429,3.25,0.46429,0,0,-3.25,-0.46429,0,0,6.68165,0.95452,7.55695,0.8753,0.12504,2.89217,0.41317,3.18073,0.28856,0.04122,0.23327,0.03332,0.23327,0.03332,0,6.01,1,1,1,1,1,1,1,1.115520094,1.875145811,2.938540041,3.617809684,3.408651712,2.572019822,23.42592197,39.37806204,61.70934087,75.97400337,71.58168595,54.01241626,0.253970737,0.426914913,0.669018142,0.823667631,0.776048583,0.585572392,3.276797329,2.517171611,1.453777382,0.774507738,0.983665711,1.820297601,0.258107046,0.433867887,0.679914144,0.83708234,0.788687742,0.595109351,9.935135927,16.33021075,19.89080966,20.57539461,18.06549894,10.32501729,25.72285013,18.43414611,15.1915226,14.08603674,12.8310889,8.857087423,7,3.06122449,2.666666667,7,0,5,2.01,1.0127,0.908560296,1.650963624,3.532775529,0,0,1.414213562,0,1,0,0,0,0,0,0,0,0,0,0,0,0.348,0.421,0.415,0.371,0.175,3.162,7,6,2,0,0,0,0,0,0,28,1.945910149,2.079441542,1.945910149,1.098612289,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,2,1.111111111,0.25,0,0,0,0,0,0,0,0.333333333,0.158730159,0.041666667,0,0,0,0,0,0,0,0.533730159,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,20.23,121.1225932,3.807354922,3.295836866,3.970291914,4.691347882,5.398162702,6.120297419,6.834108739,7.556427969,8.272059622,8.994296558,68.13282967,2.564949357,0,3.713572067,0,5.056245805,0,6.463029457,0,7.890956716,8.168486417,102.1044651,4.862117384,12.50524286,1.786463266,2.348367779,2.348367779,0,46,6,1.608,26,1.2214,2.116932418,2.875271785,3.484172174,4.096383382,5.32052519,0,0,0,0,77.91771384,88.1166644,87.57012685,56.96221564,18.70353804,5.405994107,0,0,0,0,269.3444456,327.8657657,359.1161502,323.9119027,215.8165632,165.3818452,0,0,0,0,9.169769619,15.52192718,21.17635235,25.40185048,28.78722882,35.74575695,0,0,0,0,1.986542612,2.58679635,2.962414726,2.975661665,2.422290386,2.36557416,0,0,0,0,178.525005,332.8298398,469.2064514,584.2218549,730.4580716,983.8590256,0,0,0,0,3.082711111,4.662051907,6.758455421,7.797932521,6.630190536,5.32052519,0,0,0,0,0.431093955,0.577600652,0.680875968,0.694245131,0.571279842,0.544821779,0,0,0,0,347.5034426,217.4570361,14.74013892,154.4454072,-96.64721663,-18.82219612,193.0580353,314.1042527,33.56233504,0.692308475,0.433225489,0.029365819,0.307691525,-0.192543955,-0.037498235,174.4289533,109.1523091,7.398795776,77.52369452,-48.51195923,-9.447779692,0.335775864,0.627198591,9.730745327,18.71927518,443.1231164,58.82573339,0.882805323,0.117194677,408.0877446,20.20118176,7.417391191,552.0501458,23.4957474,8.203380253,698.6321325,26.4316502,8.873252746,1.514435742,1.20582466,377.0698011,284.9825024,125.2041596,1.323133168,3.011639568,2.276142448,3.825961969,3.220194404,6.42424645,0.994987148,4.340044604,5.125343805,3.349341344,20.53273537,8.17766094,4.29174382,6.012719075,9.779751211,3.640577492,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.38413492,5.252196658,0.247216667,6.580158952,1.328022594,0.106905464,0.461406017,0.533036065,1.059206932,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.120585269,5.015973985,0.729094733,7.978673822,1.854217234,0.49471367,1.310968542,1.63824265,1.255532046,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.319606141,5.251876766,3.317789621,19.93732375,7.650745821,3.873866819,5.581175298,9.55317724,3.709945002,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.584635688,4.926218646,1.051098622,9.278913635,2.442201932,0.899532831,1.976481473,2.473356312,1.401155072,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.421862594,5.205588482,4.366057239,25.83681215,11.17842816,6.034548848,7.757054583,13.37113234,4.880159316,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.791756442,5.067403728,2.563396163,15.97539614,5.279190126,1.828542477,3.317092466,7.032930831,3.983962867,1.662946376,0.05661883,0.392425926,2.80E-15,3.84E-51,1.02E-108,5.20E-188,5.13E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.3748263,1.362219992,0.572092524,0.635663601,0.256580218,0.482873748,0.425917704,0.434912968,5.309138816,7.307284626,15.24647915,0.453495402,1.34370442,2.677158344,1.109311571,0.162427136,0.677950909,0.280916812,0.332416354,0.292350003,0.036231267,3.948897051,3.584828193,8.016101795,0.516926363,0.660997623,2.972611524,1.11181696,0.338533558,0.672086149,0.251373842,0.377154781,0.289105352,0.155822527,4.422962041,4.687716012,10.22953143,0.508129223,0.82208266,3.330345729,1.393939141,0.553180284,0.631050255,0.26413043,0.471669531,0.449667624,0.407833519,5.277465154,7.255680509,15.10117409,0.446575382,1.329170674,3.124608115,1.126289564,0.418224263,0.669206792,0.24122085,0.413876177,0.292027634,0.236042298,4.669121941,5.297042057,11.43798447,0.503810188,0.941946109,3.415993575,1.406145888,0.597951198,0.630246575,0.259432171,0.494808928,0.453921121,0.474024297,5.420090661,7.686789388,15.97907005,0.445369862,1.422754346,3.343415797,1.394773196,0.554240647,0.631735521,0.263541188,0.475253309,0.44991607,0.409086726,5.29242964,7.28940367,15.16642745,0.447603282,1.334256105 +UMLYSI0273,L,octanal,CCCCCCCC=O,saturated aldehyde,C8H16O,124-13-0,454,PubChem,,37.5,0,-1.5463,2.39104369,31.2998,25.550688,0,0,25,9,16,0,8,0,1,0,0,0,0,0,0,0,1426.337993,1395.726244,1422.018747,1264.758482,1068.001753,871.245024,674.488295,477.731566,280.974837,4101.865902,5103.133676,6418.223501,6208.364909,5201.566564,4194.768219,3187.969874,2181.171529,1174.373184,181.171268,176.699608,324.50802,425.61896,362.73406,299.84916,236.96426,174.07936,111.19446,30.06821048,38.67834896,53.78826481,55.52760075,46.50607189,37.48454303,28.46301417,19.44148531,10.41995645,4158.488567,3490.864584,7050.983946,10010.31906,8531.363909,7052.408754,5573.453599,4094.498444,2615.543289,86.5,57.25,85.5,103.25,91,78.75,66.5,54.5,44,57.05351972,58.15526017,31.6004166,21.07930803,20.94121084,20.74392914,20.43903924,19.90548192,18.7316558,164.0746361,212.6305698,142.6271889,103.4727485,101.9915013,99.87543379,96.6051477,90.88214705,78.29154562,7.24685072,7.362483667,7.211289333,7.093649333,7.112432549,7.139265714,7.180735152,7.253306667,7.412964,1.202728419,1.611597873,1.195294774,0.925460012,0.911883763,0.89248912,0.862515581,0.810061888,0.694663763,166.3395427,145.452691,156.6885321,166.8386511,167.2816453,167.9144941,168.8925333,170.6041018,174.3695526,3.46,2.385416667,1.9,1.720833333,1.784313725,1.875,2.015151515,2.270833333,2.933333333,0.145956853,-0.027092654,-0.044309699,-0.004164732,-2.83E-04,-2.75E-04,-7.56E-04,0.002130287,0.015515453,768.774544,-47.36742976,-327.0287398,16.8572728,15.01093536,13.16459792,11.31826048,9.47192304,7.6255856,1217.082179,-96.77620442,-583.7317046,9.513218518,9.267178906,9.021139293,8.775099681,8.529060069,8.283020456,1.10707456,-0.003873818,-0.089531488,3.88E-04,-0.014320742,-0.029029581,-0.043738419,-0.058447258,-0.073156096,5.405687815,-0.45802099,-2.545646049,-0.032925755,-0.03349713,-0.034068504,-0.034639879,-0.035211253,-0.035782627,29.76971422,-2.530394954,-13.72701972,-0.314224876,-0.323417574,-0.332610272,-0.34180297,-0.350995669,-0.360188367,34.66,1.8964,-1.908,-0.574,-1.2464,-1.9188,-2.5912,-3.0136,-1.216,0.005838274,-0.001128861,-9.85E-04,-6.94E-05,-5.55E-06,-6.54E-06,-2.29E-05,8.88E-05,0.001034364,30.75098176,-1.973642907,-7.267305329,0.280954547,0.294332066,0.313442808,0.34297759,0.39466346,0.508372373,48.68328717,-4.032341851,-12.97181566,0.158553642,0.18170939,0.214789031,0.265912112,0.355377503,0.552201364,0.044282982,-1.61E-04,-0.001989589,6.47E-06,-2.81E-04,-6.91E-04,-0.001325407,-0.002435302,-0.004877073,0.216227513,-0.019084208,-0.056569912,-5.49E-04,-6.57E-04,-8.11E-04,-0.001049693,-0.001467136,-0.002385508,1.190788569,-0.105433123,-0.305044883,-0.005237081,-0.006341521,-0.007919292,-0.010357666,-0.01462482,-0.024012558,1.3864,0.079016667,-0.0424,-0.009566667,-0.024439216,-0.045685714,-0.078521212,-0.125566667,-0.081066667,-0.193355187,-0.168656004,-0.011889165,-9.51E-04,-0.001120044,-0.003924983,0.01520346,0.177169398,-0.06418146,-0.236327587,0.009136442,0.009571469,0.010192937,0.011153387,0.012834174,0.016531907,-0.082828052,-0.266453159,0.003256839,0.00373248,0.004411966,0.005462082,0.007299784,0.01134273,-0.003644946,-0.044928966,1.46E-04,-0.006341011,-0.015608264,-0.029930383,-0.054994092,-0.11013425,-0.08825985,-0.261622175,-0.002537894,-0.003037571,-0.003751395,-0.004854578,-0.006785147,-0.0110324,-0.088540591,-0.256170483,-0.004397994,-0.00532548,-0.00665046,-0.008698157,-0.012281626,-0.020165257,0.056994133,-0.030582804,-0.006900365,-0.017627824,-0.032952766,-0.056636766,-0.090570302,-0.058472783,0.969732266,0.850398367,0.687910292,0.754795422,0.866548929,1.041950825,1.330989646,1.877590958,1.27017752,1.259314149,0.876966738,0.883509846,0.892857143,0.907302965,0.932583154,0.98819957,1.493936626,1.406963555,0.920956894,0.909386408,0.892857143,0.867311915,0.822607765,0.724258636,0.543739349,0.630214945,0.65927556,0.755456211,0.892857143,1.105204037,1.476811101,2.294346643,1.559118204,1.428203571,0.922886025,0.910521191,0.892857143,0.865558159,0.817784937,0.71268385,1.562487086,1.420978144,0.918824127,0.90813184,0.892857143,0.869250793,0.827939682,0.737055236,0.468840162,0.590498173,0.644835545,0.751841417,0.904706949,1.14095368,1.547172533,2.331217542,52.70889377,26.47944688,42.77410387,52.90333821,5.87814869,26.47944688,0.25,0.057108887,0.006345432,-2.576515988,57.47042326,6.385602584,3.646143394,52.71088447,26.48007502,42.77499242,52.90475769,5.87830641,26.48007502,0.249265579,0.057079751,0.006342195,-2.576975271,57.48382896,6.387092106,3.646353305,54.47770574,27.03935563,43.58204838,54.1673767,6.018597411,27.03935563,-0.398994478,0.030270268,0.003363363,-3.147830384,82.77632311,9.197369234,3.974527861,52.71297375,26.48073427,42.77592503,52.90624748,5.878471942,26.48073427,0.2484948,0.057049169,0.006338797,-2.577457589,57.49791462,6.38865718,3.646573812,56.3587364,27.63822107,44.48525692,55.51695197,6.168550219,27.63822107,-1.082294264,4.44E-04,4.93E-05,-6.948390117,85.03548736,9.448387484,3.998761801,52.9173852,26.54525969,42.86740949,53.05204512,5.89467168,26.54525969,0.173134186,0.054044616,0.006004957,-2.626150815,58.96121703,6.551246336,3.6691919,57.86436018,28.86642912,47.24033818,58.22150304,6.469055893,28.86642912,0.642857143,0.092338003,0.010259778,-2.144069541,45.60616721,5.067351912,3.438038658,0,11.9886304,16.00592525,-0.38946365,0.206349563,3.438127293,7.207755198,8,24,23,23,7,1,1,0,0,1,18.449312,3.512955059,3.312620812,2.969507449,2.524845022,2.047678331,1.618102489,1.299951888,1.115510736,1.908943978,1.727178594,1.457721573,1.155277772,0.884511168,0.687014532,0.566298812,0.506299852,3.52381656,3.2988236,2.947126163,2.513273143,2.064002612,1.673576711,1.394080158,1.235932697,1.853017916,1.674419602,1.404488623,1.09157937,0.798787115,0.574614002,0.430491217,0.353589139,3.65597542,3.462638095,3.154111046,2.773329386,2.387776571,2.066455441,1.84657174,1.725771418,1.670350827,1.458545799,1.138169019,0.761145384,0.396235775,0.105126461,0.087430839,0.191289888,3.541521494,3.311862494,2.958658941,2.530561426,2.095869048,1.726476228,1.467534283,1.32296821,1.818683307,1.64400329,1.373173057,1.050566152,0.739829004,0.495323441,0.335008779,0.248510724,3.711659985,3.517823596,3.218410923,2.859448419,2.507019447,2.222732465,2.032996155,1.929963127,1.616074449,1.401346737,1.071672217,0.675325812,0.280160399,0.046440418,0.269123495,0.391332661,5.012277502,3.511727406,3.252719074,2.847993339,2.385502613,1.966430887,1.660071839,1.479894535,1.785574688,1.53052499,1.178908576,0.810454887,0.490548948,0.257353426,0.116001294,0.044612229,0,0,1,0,0,1,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.949747468,4.414213562,2.767766953,1.707106781,1.030330086,0.603553391,0.338388348,0.176776695,0.772194163,0.551776695,0.395395279,0.284517797,0.206066017,0.150888348,0.112796116,0.088388348,6.228239247,3.851057332,2.369555364,1.425528666,0.831224291,0.462764333,0.23883545,0.101631566,0.692026583,0.481382167,0.338507909,0.237588111,0.166244858,0.115691083,0.079611817,0.050815783,13.04942153,24.43335761,23.15294118,23.48,14.86867545,192.3805617,0.521976861,0.977334304,0.926117647,0.9392,0.594747018,7.695222467,2.5458,39.44,27.74218932,44.32390806,55.48437864,6.16493096,27.74218932,1.22E-15,1.36E-16,-30.90501477,2000019.329,222224.3699,13.05780066,96,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,7,1,0,1,0,0,0,0,0,0,0,0,1,0,6,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.837549682,1.005898526,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.568144487,0,0,1.894065177,0.401388889,0,0.568144487,0,0,0,0,0,0,0,0,2.194170131,0,6.962381661,0,1.005898526,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.837549682,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.837549682,1.005898526,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.568144487,0,0,0.219338349,0.401388889,0,0.568144487,0,0,0,0,0,0,0,0,2.194170131,0,0.753684807,0,1.005898526,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.837549682,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.837549682,1.005898526,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.568144487,0,0,0.401388889,0.401388889,0,0.568144487,0,0,0,0,0,0,0,0,2.194170131,0,1.318310658,0,1.005898526,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.837549682,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20,2.222222222,0.637790336,9.837549682,0.219338349,0.753684807,4.585401045,0.994101474,2.837549682,6.063439626,0.994101474,2.837549682,6.063439626,4.33333,0.48148,0,0.01852,0.47467,0.78519,0.42414,0.47467,0.78519,0.05053,0,-0.05053,0,0.61321,0.10108,0,0.19231,0,0,5.75,0.63889,4.25,0.47222,1.5,0.16667,-2.75,-0.30556,0,0,7.52779,0.83642,9.36685,1.83906,0.20434,3.67274,0.40808,4.41421,0.74147,0.08239,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,8.01,1,1,1,1,0,0,0.875,1.12385619,1.835336213,2.774693952,3.27326969,2.917405811,2.497320659,28.09640474,45.88340534,69.36734879,81.83174224,72.93514529,62.43301646,0.242009258,0.395218142,0.59749782,0.704860262,0.628229147,0.537768733,3.52,2.808519976,1.869162238,1.3705865,1.726450378,2.146535531,0.242009258,0.395218142,0.59749782,0.704860262,0.628229147,0.537768733,9.698823506,15.86375088,18.94503088,18.90004821,15.23944926,16.53091537,33.32875244,25.5796236,22.09260809,22.09735755,27.62129112,25.84558216,9,8,8,9,1,8,2.23,1.2515,0,2.070996629,0,0,9.333258269,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.423,0.415,0.622,0.171,4.409,7,6,5,4,3,2,1,0,0,45,2.302585093,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,0,3.988984047,1.177777778,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0.75,7,0.875,0,4,8,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0,0,0,0.0625,0.031746032,0.020833333,0.016,0.013888889,0.013605442,0.015625,0,0,0,0.174198696,27.74218932,44.32390806,55.48437864,6.16493096,27.74218932,1.22E-15,1.36E-16,-30.90501477,2000019.329,222224.3699,13.05780066,17.07,153.0781037,4.169925001,3.433987204,4.043051268,4.672828834,5.303304908,5.942799375,6.580639137,7.22329568,7.863651265,8.507344855,70.57090253,2.833213344,0,3.80666249,0,4.919980926,0,6.098074282,0,7.311218384,7.671360923,128.1201151,5.124804605,16.82976754,1.869974171,2.410977519,2.410977519,0,120,6,3.432,30,1.235958333,2.141023704,2.866730999,3.599661787,4.943847271,5.948893297,7.271937408,8.344561719,9.653758956,0,82.65488409,75.32230696,73.62622165,97.93394062,122.1424934,145.0374792,165.1549068,177.5688876,86.54479872,0,288.2546398,325.8464467,327.0473222,434.3402262,544.4641641,639.3549504,709.4843611,696.6508951,558.7059352,0,9.131483183,15.49196473,20.41059741,25.8834227,35.50365748,43.05688116,53.06087935,62.36942366,78.8371492,0,2.130889087,2.681076141,2.818482946,3.700655564,4.706635005,5.517603656,6.158039545,6.004865036,4.750009241,0,177.5843575,332.1377794,474.7972927,588.2982312,821.5146666,991.7065173,1231.778648,1446.406426,1786.504407,0,3.003322917,4.175686259,5.117666854,7.013538064,9.760801668,12.79705369,17.37462692,26.17907245,40.12281888,0,0.451779063,0.581574565,0.623351908,0.823024545,1.06048663,1.264696295,1.459403506,1.549990751,1.508550206,0,381.2226801,240.3831966,14.23377879,117.5253286,-74.10659343,-19.85962884,263.6973515,314.48979,34.09340763,0.764359303,0.481973246,0.028539019,0.235640697,-0.148585242,-0.039818964,190.1340526,119.8906406,7.099068827,58.61552359,-36.96051591,-9.904950338,0.189807186,0.480274954,5.145433185,25.19429653,446.28994,52.45806869,0.894820495,0.105179505,567.3014486,23.81809078,8.278239066,722.2940259,26.87552838,8.972318345,868.3815721,29.46831471,9.540479432,2.947184359,2.923541463,1379.614474,1354.45466,48.50606123,1.018575605,28.44210474,27.92341051,4.693868757,5.645455692,10.43373091,0.84816452,4.475623891,6.683296333,3.235179941,27.37764119,11.88456351,0.420685051,4.532997973,6.400270222,16.24130902,0.655662314,1.632609381,9.915179808,2.323454352,7.033197603,1.17128512,1.443421208,0.009364374,0.632598475,0.027205564,1.289156236,2.37E-14,8.41E-50,5.75E-107,7.59E-186,1.93E-286,0,0,0,0,0,0.392101864,6.683048425,0.26954153,6.305056434,0.085905189,0.465306759,0.626836935,0.182254521,4.327954447,0.023152905,0.707919678,0.623018455,0.075560867,1.974691874,0.055910485,0.957683451,6.93E-04,0.050177822,0.036238427,0.144112148,2.65E-15,9.40E-51,6.43E-108,8.49E-187,2.16E-287,0,0,0,0,0,1.218374691,6.682947703,0.725923619,7.700504385,0.877620417,0.254892314,1.409850911,0.822162682,5.834330443,0.095741961,0.461451674,2.121134642,0.322553741,2.779381945,0.2084161,0.669732581,0.001824781,0.110690608,0.019446439,0.249643835,4.59E-15,1.63E-50,1.11E-107,1.47E-186,3.74E-287,0,0,0,0,0,4.229734703,6.683327641,3.33868892,25.20115205,10.59102776,0.528238766,4.338383977,5.796977412,15.840835,0.59694578,1.690008443,9.205623386,2.110905721,7.222081675,1.076411398,1.656697441,0.008617195,0.699432162,0.036201421,1.619228086,2.98E-14,1.06E-49,7.23E-107,9.54E-186,2.43E-286,0,0,0,0,0,1.788084699,6.682928645,0.997810561,9.527789361,1.900949241,0.179289051,1.939045061,1.448298267,6.992207328,0.16235391,0.433820736,3.267819789,0.555009873,3.260349203,0.335424802,0.592935425,0.002788643,0.138351952,0.013065146,0.247194049,4.55E-15,1.61E-50,1.10E-107,1.46E-186,3.71E-287,0,0,0,0,0,5.404987032,6.683481573,4.249322109,36.94760123,17.32601969,0.526403323,5.455667561,8.886781623,20.61583979,0.895765765,2.246422589,12.70372299,3.195548583,8.679305217,1.552752216,1.792007367,0.012425084,0.896172156,0.032902065,1.882824066,3.46E-14,1.23E-49,8.40E-107,1.11E-185,2.82E-286,0,0,0,0,0,2.816160907,6.246497941,3.859310042,14.81385622,4.510283795,1.414374071,3.162417051,2.761628728,14.11439796,0.293948432,2.530499954,5.675279588,1.025691879,8.905450611,0.560948803,3.458111014,0.005598078,1.090277034,0.144237407,3.417408247,6.28E-14,2.23E-49,1.53E-106,2.01E-185,5.12E-286,0,0,0,0,0,9.233489585,0.802260116,0.463299606,0.879459589,0.076412644,0.532627988,0.618897937,0.559989324,10.49904931,12.05721931,25.98823477,0.819189383,1.711515249,11.07561986,0.287458458,0.091059159,0.966953634,0.025096474,0.767411073,0.078420982,0.021632323,11.45413747,4.218492963,15.96254282,0.950430451,0.867464378,9.492824761,0.500539449,0.240459517,0.927593147,0.048910306,0.563260884,0.239921475,0.150848094,10.23382373,7.154532805,18.53090793,0.891389721,0.954030453,9.565931454,0.778781528,0.447459005,0.886376854,0.072161705,0.571752262,0.582651402,0.522350952,10.79217199,12.07860569,26.20424467,0.829565281,1.676754616,8.99375436,0.598988486,0.311031388,0.908113831,0.06048083,0.505428222,0.344535865,0.252385455,9.903774234,8.370799432,19.95014806,0.862170746,1.102349542,9.299916918,0.838064444,0.49024533,0.875020564,0.078852707,0.540306345,0.675468867,0.627022054,10.62822669,12.76402771,27.21319204,0.812530847,1.842797266,9.667440249,0.777898508,0.447392323,0.887512983,0.07141446,0.583945807,0.581367868,0.52219528,10.89273108,12.19345172,26.45070164,0.831269474,1.687508955 +UMLYSI0274,L,propyl butyrate,CCCC(=O)OCCC,saturated esters,C7H14O2,105-66-8,7770,PubChem,,37.3,0,-0.5181,0.26842761,33.1737,23.259102,0,0,23,9,14,0,7,0,2,0,0,0,0,0,0,0,1536.009745,1467.311804,1694.072836,1488.030783,1275.583818,891.214512,514.536962,281.592025,84.835296,3832.572288,4632.085644,5588.243923,5201.538015,4322.496368,3615.82701,2948.05728,2068.222976,1061.424631,173.54554,167.45108,302.095048,353.60022,282.643968,213.592584,196.889096,186.21226,123.32736,27.03328867,33.55214034,43.60337522,41.41454635,32.55488552,28.01162292,26.32862754,21.03814958,12.01662072,3847.310193,3237.717434,6434.654723,7946.930751,6104.186297,4439.219243,4432.198426,4616.702266,3137.747111,95.02777778,59.75,105.8333333,113,111.1666667,88.75,58,37,24,66.78303239,66.69599109,42.3518209,31.66022943,35.43288383,33.00794489,19.05692452,10.42933426,4.713072,166.6335777,210.5493475,139.7060981,110.6710216,120.0693435,133.9195189,109.1873067,76.60085098,58.96803508,7.545458261,7.611412727,7.5523762,7.523408936,7.851221333,7.910836444,7.292188741,6.89675037,6.85152,1.175360377,1.525097288,1.090084381,0.881160561,0.904302376,1.037467515,0.975134353,0.779190725,0.66759004,167.2743562,147.1689743,160.8663681,169.083633,169.5607305,164.4155275,164.1554973,170.9889728,174.3192839,4.131642512,2.715909091,2.645833333,2.404255319,3.087962963,3.287037037,2.148148148,1.37037037,1.333333333,0.269792278,-0.163742311,0.04950221,0.003940296,-0.003436395,-0.019076755,-0.01329247,0.007612095,-0.001185423,799.1117029,-15.00476101,-5.477842469,114.2766405,-121.1021862,-436.5614705,-304.1172856,91.18061724,82.45501497,1081.795272,-149.5950004,-291.6044176,154.1907214,85.67266773,-300.1887111,-368.5524674,35.84681081,34.68405272,1.975925913,0.013204083,0.789045369,-0.356766518,-0.90057169,-0.95855442,-0.258725202,0.289742276,0.220229807,4.769103567,-1.066326256,-1.688620916,0.224167438,0.805426994,-0.242102756,-1.126938225,-0.096160525,-0.098860783,26.67799994,-6.490143964,-9.469081274,0.206274468,4.695498778,0.209759042,-5.294824177,-0.844354756,-0.88779851,38.15700483,-0.641724428,10.27767276,-5.082913254,-11.31458727,-15.10097669,-7.325614367,4.696124764,2.464083176,0.011730099,-0.007442832,0.001237555,8.38E-05,-9.55E-05,-7.07E-04,-4.92E-04,2.82E-04,-6.59E-05,34.74398708,-0.682034591,-0.136946062,2.431417883,-3.363949618,-16.16894335,-11.26360317,3.377059898,4.580834165,47.03457702,-6.799772747,-7.290110439,3.280653648,2.379796326,-11.11810041,-13.65009139,1.32765966,1.926891818,0.085909822,6.00E-04,0.019726134,-0.007590777,-0.02501588,-0.035502016,-0.009582415,0.010731195,0.012234989,0.207352329,-0.048469375,-0.042215523,0.00476952,0.022372972,-0.008966769,-0.041738453,-0.003561501,-0.005492266,1.159913041,-0.295006544,-0.236727032,0.004388818,0.130430522,0.007768853,-0.196104599,-0.031272398,-0.049322139,1.65900021,-0.029169292,0.256941819,-0.108147091,-0.314294091,-0.559295433,-0.271319051,0.173930547,0.13689351,-0.6345072,0.10550254,0.007147091,-0.008137648,-0.060233632,-0.041970122,0.024034702,-0.005614344,-0.019630291,-0.003941576,0.069980969,-0.096821059,-0.465373859,-0.324188561,0.097198398,0.13184538,-0.144569659,-0.154994706,0.069749828,0.050596741,-0.236381426,-0.290213971,0.028227312,0.040967559,0.006986228,0.229614422,-0.088357498,-0.291187662,-0.413247456,-0.111540388,0.124912322,0.142416652,-0.233753706,-0.203593194,0.023002008,0.10789834,-0.043244119,-0.201292423,-0.017176084,-0.026487601,-0.254335052,-0.204090327,0.003783748,0.112448535,0.00669779,-0.169068363,-0.026960985,-0.042522273,-0.017582452,0.154877508,-0.065188111,-0.189447891,-0.337128006,-0.163543711,0.104840582,0.082515668,1.632086383,0.940098213,1.214911501,1.727752612,1.567163314,0.494225598,0.098789341,0.103634564,1.090358552,1.004347089,0.909950092,1.208239152,1.603640813,1.207834574,0.61722521,0.555502689,1.504503624,1.213276632,0.820009691,0.81360894,1.197005819,1.281250893,0.847836723,0.763053051,0.709899086,0.724184541,1.231487124,1.98516991,2.084142694,0.766094026,0.048898969,0.044009072,1.714180848,1.293107351,0.84473941,0.735689206,1.02258308,1.208338046,0.859752159,0.773776943,1.747015013,1.298987705,0.866540182,0.754584431,1.003294576,1.168832749,0.834867955,0.751381159,0.580933089,0.518508261,1.049880195,1.890519824,2.429937471,1.227870271,0.05872423,0.096094195,43.40936668,21.95468334,33.63741828,43.79825557,4.866472841,21.95468334,0.5,0.001435125,1.59E-04,-5.891852744,54.65782892,6.073092102,3.600983214,43.42388342,21.96120729,33.64843923,43.81162987,4.867958875,21.96120729,0.498531158,0.001632759,1.81E-04,-5.775735553,54.57725515,6.064139461,3.599655501,56.35127057,27.77664081,43.81759073,55.73061249,6.192290277,27.77664081,-0.797988956,0.112085205,0.012453912,-1.969646346,36.10931894,4.012146549,3.227895877,43.43911919,21.9680544,33.66000746,43.82566666,4.869518517,21.9680544,0.4969896,0.001839927,2.04E-04,-5.668226267,54.49324472,6.054804968,3.598269069,70.14570421,33.99055784,55.05165318,68.46213535,7.606903928,33.99055784,-2.164588529,0.160590716,0.017843413,-1.646006658,33.45088843,3.716765381,3.159070512,44.930599,22.63843369,34.79900161,45.19991884,5.022213205,22.63843369,0.346268372,0.020912151,0.002323572,-3.480682421,48.32033263,5.368925847,3.490067194,42.09803469,21.31920391,32.61302534,42.75059201,4.750065779,21.31920392,1.174603175,0.096192539,0.01068806,-2.107263129,86.80460888,9.644956542,4.017293746,0,11.89,15.99591816,-0.315658615,0.261469622,4.11471381,6.702168773,8,22,21,21,7,1,1,0,0,1,18.178898,3.547681548,3.23707171,2.929948248,2.403879012,2.056616755,1.523925533,1.332142786,0.951296588,1.807706119,1.739770583,1.321521243,1.159403604,0.747428242,0.648520522,0.390615497,0.083923071,3.454797893,3.257435113,2.856458977,2.403570385,2.021576338,1.532101362,1.397351832,0.60372522,1.788059216,1.672320617,1.321333995,1.06786192,0.721270076,0.511570778,0.389518896,0.270913902,3.636830599,3.42423587,3.102296417,2.693139792,2.369478461,1.966540865,1.854815489,1.226323722,1.574321982,1.444004527,1.020896466,0.70741769,0.31080095,0.012794268,0.121410794,0.943918427,3.446350328,3.279789794,2.843321214,2.43468442,2.030182136,1.592185223,1.456065057,0.459589089,1.785679113,1.62887879,1.318488518,1.009029525,0.698266124,0.422225365,0.323457311,0.399277246,3.660793633,3.496051747,3.14766246,2.800405061,2.462809009,2.132590564,2.024312979,1.208936353,1.537053989,1.375402166,0.973975047,0.599027121,0.22196931,0.15747483,0.281032079,1.207644823,4.914877629,3.45701304,3.310561358,2.917408882,2.502076994,2.031425936,1.680041178,1.480809857,1.626380987,1.550123978,0.980330159,0.836203554,0.34209584,0.262089521,0.203009165,0.6,0,0,1,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.40824829,0.49279928,0.390737207,0.083333333,0.100592232,0.079758898,7.112884175,4.308060412,3.036075375,1.83195123,1.189722705,0.594861352,0.204124145,0.102062073,0.790320464,0.538507552,0.379509422,0.261707319,0.198287117,0.148715338,0.102062073,0.102062073,6.144923706,3.464690378,1.97047018,0.921298001,0.492190452,0.23703527,0.102062073,0.051031036,0.682769301,0.433086297,0.246308773,0.131614,0.082031742,0.059258818,0.051031036,0.051031036,12.22239284,22.87618354,21.77647059,22.12,13.55036048,177.5068275,0.531408384,0.994616676,0.946803069,0.96173913,0.589146108,7.717688154,1.7397,36.158,25.02074591,38.31124324,50.04149182,5.560165758,25.02074591,0.045146306,0.005016256,-2.788062138,41.34668254,4.594075837,3.34979297,83,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,1,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.37236111,-0.070046296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.426388889,0.5125,0,0,0,0,0,0,0,0,0,0,3.95082483,0,2.913527022,0,0,0,0,0,0,-0.070046296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.57972222,4.792638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.792638889,-0.070046296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305625,0.5125,0,0,0,0,0,0,0,0,0,0,1.965481859,0,0.555555556,0,0,0,0,0,0,-0.070046296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.57972222,4.792638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.57972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,1.985342971,0,0.912157029,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.57972222,4.792638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.16666667,2.462962963,0.555902778,10.57972222,0.203055556,-0.070046296,3.120952879,1.736712963,3.579722222,9.744722222,1.736712963,3.579722222,9.744722222,4.16666,0.46296,0,0.03704,0.52319,0.87037,0.42414,0.52319,0.87037,0.09905,0,-0.09905,0,0.53191,0.18238,0,0.32,0.12,0,6.25,0.69444,4.75,0.52778,1.5,0.16667,-3.25,-0.36111,0,0,6.97469,0.77497,9.95878,2.98409,0.33157,3.25049,0.36117,4.30805,1.05757,0.11751,0.10595,0.01177,0.10595,0.01177,0,8.02,2,2,2,2,0,0,0.857142857,1.264672679,2.032128525,3.24052826,3.501397825,3.588354347,3.029452044,29.08747163,46.73895608,74.53214998,80.53214998,82.53214998,69.67739701,0.279574524,0.449231943,0.716366503,0.774035563,0.793258583,0.669704997,3.258889277,2.491433431,1.283033696,1.022164131,0.935207609,1.494109912,0.279574524,0.449231943,0.716366503,0.774035563,0.793258583,0.669704997,11.60803893,21.16489296,23.33858976,24.55734194,22.7332963,20.25833797,32.94327953,20.14385474,18.73932192,16.89274631,18.79147226,23.13141457,9,6.125,5.87755102,9,3,4,2.01,1.1693,0.142857143,2.874432896,0.577350269,0,2.40685195,2.149139864,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,3.857,8,7,6,4,2,1,0,0,0,45,2.302585093,2.397895273,2.302585093,2.197224577,1.791759469,1.098612289,0.693147181,0,0,0,3.988984047,1.177777778,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.625,7,0.875,0,4,7,0.75,1.5,0.666666667,0.375,0.16,0.055555556,0.040816327,0,0,0,0,0.1875,0.083333333,0.053571429,0.026666667,0.013888889,0.020408163,0,0,0,0,0.385368481,25.02074591,38.31124324,50.04149182,5.560165758,25.02074591,0.045146306,0.005016256,-2.788062138,41.34668254,4.594075837,3.34979297,26.3,144.5723458,4.169925001,3.496507561,4.143134726,4.844187086,5.517452896,6.228511004,6.910750788,7.624130586,8.309676896,9.023408203,73.09775975,2.833213344,0,3.891820298,0,5.117993812,0,6.424869024,0,7.773594467,8.08085642,130.0993797,5.656494769,16.65502353,1.85055817,5.348035427,5.348035427,0,108,7,1.844,32,1.233227273,2.115679295,2.845617074,3.643173501,4.895929494,5.791641759,6.92385845,7.98219082,9.189985663,0,92.90307534,98.68604193,102.0185189,153.0793393,179.2239685,126.7254896,82.2853467,40.72871564,9.337613592,0,281.9160909,314.8286575,340.0846169,492.2616118,702.2897989,689.5697761,567.3298333,494.1364386,285.6591657,0,9.447098999,16.09302128,21.50064116,28.74123507,38.77878143,42.27024202,47.86887797,54.80200026,61.74258784,0,1.992608666,2.409060425,2.638367139,3.606691768,5.358426575,6.041363925,5.645499962,5.516288023,4.085986221,0,179.7781318,337.2835168,477.8793379,607.9233163,798.0791138,937.1579811,1175.0208,1382.539737,1699.390571,0,3.442492424,5.882584607,7.023726887,11.38904647,16.1174073,12.48053475,9.768885808,10.92315451,9.189985663,0,0.450467386,0.571382644,0.650166351,0.914729646,1.296745086,1.343972701,1.230123075,1.222052944,0.941054532,0,379.368355,298.9656275,12.27971149,180.1903254,-142.0010736,-19.78794646,199.1780296,440.9667011,32.06765794,0.677977785,0.534288249,0.021945351,0.322022215,-0.253773337,-0.035363488,212.2788562,167.288812,6.871219157,100.8270607,-79.45793337,-11.07251721,0.331750266,0.400500886,1.877957729,3.832352339,510.0689505,49.48972997,0.911555782,0.088444218,648.0661598,25.45714359,8.653791915,783.6846649,27.99436845,9.219636166,1093.846121,33.07334456,10.30351506,2.456747445,2.456747445,960.3007679,898.830526,81.52887125,1.068389135,11.77865894,11.02468993,4.465619395,5.398345905,9.768165882,0.809473875,3.917833806,5.241545688,3.540441474,16.38290437,4.815170231,1.655995734,4.023316387,7.7896639,4.500008282,2.24778586,5.320958469,4.120647244,4.478190492,0.018145542,3.603160973,1.139261001,4.350502421,0.805911419,0.009264718,1.10E-23,2.51E-66,1.11E-130,9.45E-217,0,0,0,0,0,0,0,0.345304163,5.392468715,0.308626782,4.478579855,0.112597556,1.688580899,0.553616001,0.693837691,1.377675696,0.231446129,3.018527697,0.120624895,0.353405797,0.001095619,0.032230052,0.835766386,0.225837436,0.005676103,6.53E-05,7.74E-26,1.77E-68,7.82E-133,6.65E-219,0,0,0,0,0,0,0,1.067266495,5.111389101,0.7427224,5.290349666,0.44836533,1.510906558,0.878017732,1.488403403,1.006384024,0.490264916,3.486884975,0.537777606,0.792259756,0.003767666,0.282057527,0.8785076,0.820799801,0.059149346,6.80E-04,8.07E-25,1.85E-67,8.15E-132,6.93E-218,0,0,0,0,0,0,0,3.703230625,5.392104873,3.822129024,16.87182379,4.555299685,1.746565272,4.084808892,8.21777424,4.460091764,2.601191929,5.179543439,3.734496495,4.083069805,0.016815842,3.215070043,1.113885945,4.01062369,0.718052567,0.008254697,9.79E-24,2.24E-66,9.89E-131,8.42E-217,0,0,0,0,0,0,0,1.565372702,5.004591042,0.965943455,5.997910047,0.80109296,1.447385455,1.144496837,1.95073226,1.077151502,0.578691929,3.808849943,0.942711323,1.213208729,0.005841916,0.595803735,0.913551507,1.302553227,0.128480276,0.001477003,1.75E-24,4.01E-67,1.77E-131,1.51E-217,0,0,0,0,0,0,0,4.731374743,5.337037471,4.802856886,21.71576695,7.013351353,1.747702526,5.400286761,10.79838753,6.27398727,3.10296749,5.845642147,5.71079369,6.103061049,0.02339346,5.232520061,1.240929004,5.70812211,1.175346054,0.013511721,1.60E-23,3.67E-66,1.62E-130,1.38E-216,0,0,0,0,0,0,0,2.465227058,5.354506024,3.050768198,17.26623161,3.298190893,1.700790275,3.389590753,9.619648311,6.34058519,2.40125697,4.204937226,1.697931161,2.018269312,0.010796083,1.313200181,1.359792588,2.480212442,0.290128124,0.003335299,3.96E-24,9.05E-67,4.00E-131,3.40E-217,0,0,0,0,0,0,0,9.945716384,0.772454709,0.432671491,0.8919251,0.069273214,0.609625794,0.50907555,0.521721165,11.15084258,12.32006253,26.7949538,0.83788765,1.64042251,6.832929641,0.568656193,0.077051133,0.913659758,0.076037411,0.288501772,0.270547372,0.016545502,7.478636967,4.455888333,12.23391424,0.870489637,0.575594646,8.613440696,0.572983866,0.220577479,0.915641419,0.060910358,0.457499677,0.279606476,0.135595174,9.407002041,6.961680921,17.45731279,0.873462128,0.872701328,9.593498005,0.784315348,0.410617078,0.889239456,0.072699671,0.567266034,0.52485762,0.469889685,10.78843043,11.78563512,25.66368302,0.833859184,1.562013339,9.360746571,0.597281394,0.293230964,0.913131415,0.058264199,0.540129923,0.304327785,0.239630201,10.25125893,8.5110019,20.40171508,0.869697122,1.084087908,10.02803068,0.805059771,0.456503139,0.888254356,0.071309898,0.619744682,0.552926253,0.58077703,11.28959359,13.01850388,27.99352223,0.832381534,1.753447964,9.679094208,0.795632186,0.413962653,0.888912721,0.073069603,0.57742468,0.540117771,0.477577895,10.88868905,12.03714441,26.11375939,0.833369081,1.595120346 +UMLYSI0275,L,propyl-2-methyl-2-propenoate,C=C(C)C(=O)OCCC,unsaturated esters,C7H12O2,2210-28-8,16638,UML,,37.1,0,0.8377,0.70174129,34.2434,21.925516,0,0,21,9,12,0,7,0,2,0,0,0,0,0,0,0,1533.977617,1443.097628,1764.678365,1689.747296,1071.746473,826.709568,492.354914,143.338608,15.24096,3770.404799,4402.612411,5292.257382,5088.798,4058.952967,3343.620098,2780.751536,1572.940224,466.2561665,160.108612,153.215816,260.211308,282.411056,291.355564,151.244616,196.09076,145.478592,100.77696,26.14406286,31.32505172,39.26639646,38.05975829,30.30599189,26.36519631,24.99076473,16.69511646,6.669193573,3477.474889,2931.472338,5457.796141,5996.277067,6269.786918,3047.810618,4495.788635,3533.524545,2773.76478,100.3055556,63.11111111,105.9166667,125.1666667,119.5,64.66666667,63.5,35,15,73.04655319,72.1548814,51.90230485,45.66884584,29.77073536,41.3354784,18.23536719,6.825648,1.016064,179.5430857,220.1306206,155.6546289,137.5350811,112.7486935,167.1810049,102.9907976,74.90191545,31.08374443,7.624219619,7.6607908,7.653273765,7.632731243,8.093210111,7.5622308,7.262620741,6.927552,6.718464,1.244955374,1.566252586,1.154894013,1.028642116,0.841833108,1.318259816,0.925583879,0.795005546,0.444612905,165.5940423,146.5736169,160.5234159,162.0615424,174.1607477,152.3905309,166.5106902,168.2630736,184.917652,4.776455026,3.155555556,3.115196078,3.382882883,3.319444444,3.233333333,2.351851852,1.666666667,1,0.283943206,-0.192591471,0.034990159,0.13420647,-0.143728828,0.022109393,-5.10E-04,-0.009766087,0.013319176,751.701177,-11.34037805,159.202025,67.61570127,-367.121227,-359.1064356,-183.0556851,-71.48819476,389.4436057,1018.843734,-137.0120425,38.3313924,-259.5237512,275.2076823,-509.0085078,-189.4042433,-245.1143114,517.1019145,1.933471238,0.001381297,0.760029615,-0.040501134,-1.80075717,-0.27922137,-0.186335782,0.229934095,0.34873483,4.548872301,-0.99958663,-0.177470131,-2.493248161,3.222658716,-1.890144758,-0.446025225,-1.299662504,1.809042542,25.57408015,-6.115137727,-1.226265699,-15.93609289,20.19551644,-9.685522616,-1.785208136,-7.302241969,9.067912528,39.16137566,-3.219828672,11.81015369,10.21831696,-31.63378685,-7.636495339,-7.191609977,0.588624339,7.48393802,0.013521105,-0.009629574,0.001029122,0.003627202,-0.003992467,0.00110547,-1.89E-05,-4.65E-04,8.88E-04,35.79529414,-0.567018902,4.682412499,1.827451386,-10.19781186,-17.95532178,-6.77984019,-3.404199751,25.96290705,48.51636829,-6.850602125,1.127393894,-7.014155439,7.644657841,-25.45042539,-7.014971973,-11.67211006,34.47346096,0.092070059,6.91E-05,0.022353812,-0.001094625,-0.050021033,-0.013961068,-0.006901325,0.010949243,0.023248989,0.216612967,-0.049979331,-0.00521971,-0.067385085,0.089518298,-0.094507238,-0.016519453,-0.061888691,0.120602836,1.21781334,-0.305756886,-0.036066638,-0.430705213,0.560986568,-0.484276131,-0.06611882,-0.347725808,0.604527502,1.864827412,-0.160991434,0.347357462,0.276170729,-0.878716301,-0.381824767,-0.266355925,0.02802973,0.498929201,-0.712188356,0.076112295,0.268262237,-0.295276713,0.081758825,-0.001398128,-0.034394509,0.065671041,-0.015840599,0.13081084,0.051052839,-0.284892529,-0.501611237,-0.189405908,-0.09510188,0.725316209,-0.141201874,0.023237393,-0.14457297,0.157568633,-0.524574,-0.1445898,-0.240580869,0.710553205,7.50E-04,0.242791331,-0.011889047,-0.543293152,-0.151635273,-0.074957324,0.118922946,0.252514106,-0.230731023,-0.02409694,-0.311085188,0.4132638,-0.436295386,-0.076262529,-0.285710923,0.556766467,-0.251070403,-0.0296159,-0.35367096,0.4606507,-0.397660392,-0.054293066,-0.285532927,0.496404073,-0.086330474,0.186267887,0.148094524,-0.471205161,-0.204750726,-0.142831408,0.015030737,0.267547119,1.721422843,0.932991535,1.159689782,1.915614319,0.861349616,0.403678068,0.173421553,0.014069384,0.998072496,0.857700306,0.935897768,1.430503205,1.436932985,1.047984579,0.843626836,0,1.376499109,0.987862722,1.114340209,0.59617343,1.645555089,1.07306491,1.157428556,0,0.71322085,0.769889911,1.06315492,2.562602842,0.882396369,0.702655627,0.064250589,0,1.575925028,1.059523998,1.28729967,0.308582899,1.635562055,0.987785251,1.158912782,0,1.608658199,1.072024087,1.334672663,0.297962301,1.605073009,0.950095438,1.119735652,0,0.675977842,0.523433247,0.748232188,2.388029453,1.443812065,1.149879529,0.243193947,0,38.53535478,19.51767739,30.04394728,38.92424367,4.324915963,19.5176774,0.5,0.186291187,0.020699021,-1.512399879,45.75050693,5.083389659,3.440882585,38.55000829,19.52426972,30.05557155,38.93775474,4.326417194,19.52426974,0.498531158,0.186348636,0.020705404,-1.512122376,45.73402567,5.081558408,3.440558309,51.58902626,25.39551865,40.59191002,50.96836818,5.66315202,25.39551865,-0.797988956,0.216992245,0.024110249,-1.375104296,37.90893955,4.212104395,3.271668261,38.56538759,19.5311886,30.06777234,38.95193506,4.327992784,19.53118861,0.4969896,0.186408843,0.020712094,-1.511831644,45.71676261,5.07964029,3.440218525,65.47889056,31.65715102,52.02092235,63.79532171,7.088369079,31.65715102,-2.164588529,0.230073673,0.025563741,-1.322420135,35.05420702,3.894911891,3.201206072,40.07080256,20.20853547,31.26567035,40.34012241,4.482235823,20.20853547,0.346268372,0.191893626,0.021321514,-1.485732684,44.18189496,4.90909944,3.40948358,43.94257778,22.19377325,34.39755182,44.39735228,4.933039142,22.19377325,0.818594104,0.272411823,0.03026798,-1.170396271,66.0361165,7.337346278,3.771181631,0,11.89,15.99591816,-0.31210442,0.288312098,4.362275998,7.374413114,8,20,18,18,6,2,2,0,0,2,15.992484,3.606260842,3.250338709,2.790865136,2.343291457,2.215548891,1.523937586,0.965638109,0.592645698,1.784727254,1.712128336,1.214040579,1.125001244,0.761405123,0.607550593,0.083923071,0.083923071,3.521052829,3.263790397,2.662567806,2.329017376,2.246049837,1.527720052,0.626531208,0.582704711,1.779342129,1.652899943,1.19162268,1.018782865,0.833778458,0.498840422,0.270913902,0.270913902,3.666928866,3.423855095,2.949047759,2.624777965,2.538474031,1.963375163,1.228157843,1.008472151,1.598129872,1.440851784,0.842959532,0.654666159,0.482804206,0.00275962,0.943918427,0.943918427,3.508502402,3.283849867,2.635142234,2.367656397,2.259156155,1.585473045,0.638735406,0.459499198,1.785922658,1.613708001,1.184997054,0.951741131,0.829816189,0.414964401,0.399277246,0.399277246,3.678446835,3.490393156,2.991840566,2.739031133,2.624086798,2.126000679,1.208936448,1.207644823,1.576717885,1.37607674,0.789648513,0.535453181,0.41820052,0.164459151,1.129898334,1.207644823,4.499684734,3.42923669,3.301258683,2.728985577,2.54502041,1.915516547,1.435135916,0.891133622,1.685263356,1.529900456,0.9799376,0.766832897,0.402136804,0.244401064,0.525,0.525,0,0,2,0,1,3,1,0,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.218443362,0,0.029462783,0,1.207106781,0.61785113,0.638071187,0.244929799,0.122160486,0.113315783,7.276020882,4.180739213,3.363529345,2.151090525,0.859432754,0.557677536,0.23570226,0,0.808446765,0.522592402,0.373725483,0.268886316,0.171886551,0.139419384,0.11785113,0,5.937816924,3.007583597,1.916249277,0.785742279,0.317959596,0.179813131,0.087115428,0,0.659757436,0.37594795,0.212916586,0.098217785,0.063591919,0.044953283,0.043557714,0,11.68056503,20.98834669,20.05098039,20.36,12.75180599,161.2212671,0.556217382,0.99944508,0.95480859,0.96952381,0.607228857,7.677203194,1.44189,35.794,23.55409316,35.91182605,47.10818631,5.234242923,23.55409316,0.132882999,0.014764778,-1.816457618,39.2642408,4.362693422,3.303282781,74,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,3,1,0,1,0,0,0,0,0,0,0,0,2,1,2,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.29407407,3.600361867,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.509550737,0,0,0,1.294477041,0.458680556,0,0.509550737,0,0,0,0,0,0,0,0,3.586999244,3.433417423,1.351898148,0,0,0,0,0,0,0.166944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.5799537,4.71412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.71412037,-0.294583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.509550737,0,0,0,0.319268707,0.458680556,0,0.509550737,0,0,0,0,0,0,0,0,1.636898148,3.433417423,0.491759259,0,0,0,0,0,0,-0.294583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.5799537,4.71412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.5799537,3.433417423,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.509550737,0,0,0,0.581527778,0.458680556,0,0.509550737,0,0,0,0,0,0,0,0,1.950101096,3.433417423,0.860138889,0,0,0,0,0,0,0.461527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.5799537,4.71412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.83333333,2.648148148,0.606319444,10.5799537,0.223958333,-0.294583333,3.269486155,1.96125,3.579953704,10.45498299,1.96125,3.579953704,10.45498299,4.16666,0.46296,0,0.03704,0.54444,0.87037,0.42414,0.52319,0.87037,0.12031,0.02126,-0.09905,0,0.53191,0.18238,0,0.44,0.24,0,7.75,0.86111,4.75,0.52778,3,0.33333,-1.75,-0.19444,0,0,5.87844,0.65316,10.50211,4.62368,0.51374,2.5428,0.28253,4.18073,1.63792,0.18199,0.23327,0.02592,0.23327,0.02592,0,8.02,2,2,2,2,0,0,0.571428571,1.312744353,2.715208806,3.653756708,3.558518613,3.653756708,3.444598736,27.56763142,57.01938493,76.72889087,74.72889087,76.72889087,72.33657345,0.298872833,0.618172264,0.831851698,0.810168818,0.831851698,0.784232651,3.07957307,1.677108617,0.738560714,0.83379881,0.738560714,0.947718687,0.294374814,0.608868806,0.819332377,0.797975822,0.819332377,0.772429993,11.97240834,25.09950115,26.04539322,24.90253608,26.04539322,22.69992931,32.89486864,17.87441014,16.47593372,17.84297225,16.47593372,14.80266994,9,4.839506173,4.5,9,5,3,2.01,1.1263,0.721124785,1.969259364,2.890477452,0,1,1.373178096,0,1,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.443,0.43,0.574,0.215,3.727,9,8,5,4,2,0,0,0,0,45,2.397895273,2.63905733,2.708050201,2.079441542,1.945910149,1.386294361,0,0,0,0,4.143134726,1.377777778,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.5,6,0.75,0,3,6,1,2,1.111111111,0.375,0.24,0.111111111,0,0,0,0,0,0.25,0.12345679,0.046875,0.048,0.027777778,0,0,0,0,0,0.496109568,23.55409316,35.91182605,47.10818631,5.234242923,23.55409316,0.132882999,0.014764778,-1.816457618,39.2642408,4.362693422,3.303282781,26.3,141.9358871,4.169925001,3.555348061,4.234106505,4.96284463,5.680172609,6.411818268,7.139660336,7.872836175,8.603921195,9.337941717,74.7986495,2.833213344,0,3.970291914,0,5.283203729,0,6.670766321,0,8.094683649,8.375168691,128.0837296,6.09922522,16.49144059,1.832382288,5.310113053,5.310113053,0,102,8,1.495,34,1.22555,2.11213105,2.906962431,3.623734393,4.888001001,5.5267218,6.510462836,7.458662526,0,0,98.16244924,119.4505191,143.8405134,123.6549763,214.9938105,114.8920884,48.01735498,7.578478481,0,0,289.364768,351.5479058,421.3634845,451.4026609,852.9422752,615.4248884,514.6420794,231.8431597,0,0,9.451575753,16.25990415,22.28195991,29.35755264,36.8314619,40.10347045,45.23038689,50.11075567,0,0,2.015001148,2.564785483,3.097249295,3.312858823,6.672447884,5.430956545,5.391727506,3.316217612,0,0,178.1839628,335.5021851,468.179391,624.1520869,739.8204647,909.9466861,1085.209766,1379.238361,0,0,3.966118056,6.823844777,10.06158645,11.99169416,15.51633427,13.14396162,11.28738239,7.458662526,0,0,0.458107875,0.609378673,0.774209686,0.85446707,1.487896068,1.212738675,1.180326183,0.763767043,0,0,374.9013375,296.8803925,15.29682626,143.5944444,-113.7109174,-19.42977165,231.3068932,410.5913099,34.72659792,0.723055713,0.57258015,0.029502316,0.276944287,-0.219309243,-0.037473346,194.3847622,153.9312313,7.931339895,74.45311372,-58.95863101,-10.07425465,0.36404764,0.394076892,3.778106425,4.635042197,461.0706425,57.42513939,0.88924666,0.11075334,684.3726857,26.16051769,8.81246806,801.0417432,28.30268085,9.287205373,1198.311193,34.61663173,10.62159828,1.959298872,1.959298872,762.5386543,662.2116757,113.7271418,1.151502884,6.704983895,5.822811205,4.350709167,4.471995823,8.649419955,0.934129704,3.523365507,3.530442715,4.412789629,11.68923213,4.288681942,5.500618533,3.809542673,6.863129259,5.783645081,2.930683612,3.3634604,2.264609467,4.509637865,2.320650951,1.012011805,0.221923411,9.19E-06,7.59E-32,1.21E-79,3.72E-149,2.21E-240,0,0,0,0,0,0,0,0,0,0.312213967,3.681449665,0.753929965,4.602471678,1.176556482,3.071545872,0.371206536,1.630402196,0.300252475,0.185140776,1.236116655,0.41666427,0.908476972,0.054161133,0.083568196,0.001563025,6.47E-08,5.35E-34,8.52E-82,2.62E-151,1.55E-242,0,0,0,0,0,0,0,0,0,0.960411323,3.400364316,0.966657687,5.041213324,1.000387398,2.739030609,0.689783765,2.3236157,0.993851449,0.609490457,1.668250057,0.707906421,1.180475982,0.267480804,0.270666405,0.016287923,6.74E-07,5.57E-33,8.88E-81,2.73E-150,1.62E-241,0,0,0,0,0,0,0,0,0,3.330885635,3.681011069,4.828634894,11.56076012,4.678685423,5.633126526,4.429244447,6.93872207,5.297370096,2.779863006,3.232482036,2.121068774,4.125356885,2.093697187,0.954318125,0.197729763,8.19E-06,6.77E-32,1.08E-79,3.31E-149,1.96E-240,0,0,0,0,0,0,0,0,0,1.407880188,3.293558938,1.187852374,5.621789115,1.014492725,2.78124355,0.780952951,2.799553807,1.596377097,0.924615353,1.965520457,0.933359179,1.50469124,0.487946109,0.399821095,0.035379545,1.46E-06,1.21E-32,1.93E-80,5.93E-150,3.52E-241,0,0,0,0,0,0,0,0,0,4.25499379,3.625895971,6.008328203,14.43579436,6.024098257,6.748669772,5.475451215,8.71078069,7.755106427,3.802740588,3.849258976,2.830605241,6.118463227,3.261104061,1.226596357,0.323654438,1.34E-05,1.11E-31,1.76E-79,5.43E-149,3.22E-240,0,0,0,0,0,0,0,0,0,2.022501452,3.141309646,4.196654306,10.78592277,3.458146235,5.58054586,4.764228216,5.732068358,2.060780305,1.412711831,2.574332659,1.223497354,2.497898445,0.906460421,0.552985469,0.06116764,2.53E-06,2.09E-32,3.34E-80,1.03E-149,6.08E-241,0,0,0,0,0,0,0,0,0,7.614334571,1.300053746,0.3165743,0.824868964,0.140836205,0.621472623,0.515123298,0.380937685,9.230962617,12.72111042,25.08585602,0.737303446,1.517533606,5.200123166,0.861362506,0.052283627,0.850559272,0.140888945,0.290794716,0.213942451,0.010390443,6.113769299,4.796107579,11.14406524,0.775838908,0.515127609,6.543493048,0.976707904,0.154192195,0.852639801,0.127268422,0.458960053,0.28787402,0.09037065,7.674393146,7.550637666,16.21048568,0.778959702,0.837204723,7.320933078,1.290863222,0.298986229,0.821581388,0.144865304,0.574428138,0.507654901,0.339785622,8.910782528,12.02513176,23.7614308,0.732372082,1.421868661,7.133557915,1.051503596,0.208160256,0.849918912,0.125280092,0.545345089,0.335994911,0.164701766,8.393221768,9.204766306,19.15939021,0.774878368,1.046041766,7.68486572,1.34599381,0.335772662,0.820451317,0.143700936,0.633090923,0.552181259,0.428541905,9.366632192,13.37609744,26.21588874,0.730676976,1.613814087,7.424103249,1.307026981,0.301706167,0.821901662,0.144697294,0.59071127,0.520290696,0.345995939,9.032836397,12.33773909,24.29818226,0.732852493,1.456997906 +UMLYSI0276,L,2-methylpentane,CCCC(C)C,linear alkanes,C6H14,107-83-5,7892,PubChem,,36.7,0,0.5918,0.35022724,27.5299,19.895102,0,0,20,6,14,0,6,0,0,0,0,0,0,0,0,0,879.809622,890.819837,974.639069,741.651627,487.49333,160.526016,18.289152,0,0,2976.273833,3723.897138,4754.238025,4583.736898,3354.775021,1843.095563,559.5073998,0,0,139.301592,137.349428,253.958324,314.377068,309.563336,186.188544,120.932352,0,0,22.95798067,29.53412034,41.10612815,43.09479573,34.06119458,20.03172529,8.003032287,0,0,3349.613265,2777.687448,5730.516907,7383.84195,7759.916289,4611.235353,3328.517736,0,0,32.27777778,37.91666667,56.66666667,68.33333333,60,39,18,0,0,43.9904811,46.88525458,27.07330747,16.48114727,10.83318511,5.945408,1.016064,0,0,148.8136916,195.9945862,132.0621674,101.86082,74.55055603,68.26279863,31.08374443,0,0,6.9650796,7.228917263,7.054397889,6.986157067,6.879185244,6.895872,6.718464,0,0,1.147899033,1.554427386,1.141836893,0.957662127,0.756915435,0.741915752,0.444612905,0,0,167.4806632,146.1940762,159.1810252,164.0853767,172.4425842,170.7864946,184.917652,0,0,1.613888889,1.995614035,1.574074074,1.518518519,1.333333333,1.444444444,1,0,0,0.028295987,-0.005572289,-0.004579185,-0.011415774,0.006231682,-0.00836461,0.009552182,0,0,508.4772378,-59.32234441,-92.01016684,-236.0787175,78.69290585,-141.6472305,196.1269346,0,0,945.5351364,-110.3124326,-171.0968342,-438.9984562,146.3328187,-263.3990737,364.7064098,0,0,0.0996072,-0.01162084,-0.01802416,-0.0462462,0.0154154,-0.02774772,0.03841992,0,0,4.226981996,-0.4931479,-0.764882456,-1.962527355,0.654175785,-1.177516413,1.630407341,0,0,22.96103329,-2.678787217,-4.154853643,-10.66047974,3.553493247,-6.396287845,8.856398555,0,0,2.672222222,-1.280277778,0.456666667,-1.320833333,1.295833333,-1.3325,0.845,0,0,0.001414799,-2.93E-04,-1.27E-04,-2.54E-04,1.38E-04,-3.10E-04,5.31E-04,0,0,25.42386189,-3.122228653,-2.555837968,-5.246193723,1.748731241,-5.246193723,10.89594081,0,0,47.27675682,-5.805917504,-4.752689839,-9.755521249,3.251840416,-9.755521249,20.26146721,0,0,0.00498036,-6.12E-04,-5.01E-04,-0.001027693,3.43E-04,-0.001027693,0.00213444,0,0,0.2113491,-0.025955153,-0.021246735,-0.043611719,0.01453724,-0.043611719,0.090578186,0,0,1.148051665,-0.140988801,-0.115412601,-0.23689955,0.078966517,-0.23689955,0.492022142,0,0,0.133611111,-0.067383041,0.012685185,-0.029351852,0.028796296,-0.049351852,0.046944444,0,0,-0.207293275,-0.08990645,-0.179307308,0.097880896,-0.218971228,0.375089785,0,0,-0.122807018,-0.100529101,-0.206349206,0.068783069,-0.206349206,0.428571429,0,0,-0.122807018,-0.100529101,-0.206349206,0.068783069,-0.206349206,0.428571429,0,0,-0.122807018,-0.100529101,-0.206349206,0.068783069,-0.206349206,0.428571429,0,0,-0.122807018,-0.100529101,-0.206349206,0.068783069,-0.206349206,0.428571429,0,0,-0.122807018,-0.100529101,-0.206349206,0.068783069,-0.206349206,0.428571429,0,0,-0.504322136,0.094941095,-0.21968122,0.215523216,-0.369369369,0.351351351,0,0,1.749359878,1.154757971,1.194785797,0.68709533,1.129847428,1.91E-05,0,0,1.666666667,1.256613757,1.206349206,0.703703704,1.005291005,0,0,0,1.666666667,1.256613757,1.206349206,0.703703704,1.005291005,0,0,0,1.666666667,1.256613757,1.206349206,0.703703704,1.005291005,0,0,0,1.666666667,1.256613757,1.206349206,0.703703704,1.005291005,0,0,0,1.666666667,1.256613757,1.206349206,0.703703704,1.005291005,0,0,0,2.11018711,0.757103257,1.237699238,0.53984754,1.58004158,0,0,0,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,22.11756974,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,8.88E-15,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,27.62178083,13.72524227,21.8568937,27.5075833,4.584597216,13.72524459,-0.171296296,0.063579364,0.010596561,-1.653279794,17.67646965,2.946078274,1.723340614,0,11.89,12.11007471,-0.16472489,0.055946927,5.126994186,7.334600783,5,19,19,19,5,0,0,0,0,0,15.304898,3.473871363,2.995201137,2.333552793,2.214028496,1.445561172,0.972879173,0.083923071,0.083923071,1.901370199,1.610278754,1.249629723,1.12150557,0.669641221,0.379130244,0.083923071,0.083923071,3.502794884,3.038827881,2.405454588,2.283862734,1.54799348,1.097514108,0.270913902,0.270913902,1.839153023,1.525402757,1.134540686,1.006098022,0.525229691,0.220540086,0.270913902,0.270913902,3.629932889,3.227855553,2.704236987,2.577311006,1.962425044,1.586624852,0.943918427,0.943918427,1.655283249,1.264875661,0.76031856,0.632864871,0.038010704,0.326477276,0.943918427,0.943918427,3.524104373,3.070848611,2.457539916,2.334662184,1.621603013,1.186107579,0.399277246,0.399277246,1.799449735,1.470373296,1.058262671,0.929737572,0.428200161,0.113178768,0.399277246,0.399277246,3.691746928,3.317676688,2.838982085,2.710985541,2.142855573,1.79305263,1.207644823,1.207644823,1.597738071,1.180490847,0.631337262,0.50529439,0.136884521,0.528545542,1.207644823,1.207644823,3.511109125,3.147375139,2.627181624,2.422748981,1.697709915,1.269682936,0.580645161,0.580645161,1.799116918,1.379057509,0.88524614,0.813837494,0.317232616,0.002553925,0.580645161,0.580645161,0,0,0,0,0,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.288675135,0,0.288675135,0.288675135,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,9.792794627,19.21485798,18.07843137,18.32,11.58988144,154.455091,0.489639731,0.960742899,0.903921569,0.916,0.579494072,7.722754551,2.4425,29.746,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,6.729166667,0,2.706018519,0,0,0,0.898148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.222222222,0,1.331018519,0,0,0,0.898148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.253472222,0,1.375,0,0,0,0.898148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.33333333,1.722222222,0.2,2.253472222,0.2,0.898148148,4.593013889,0.435185185,0.253472222,1.458333333,0.435185185,0.253472222,1.458333333,3,0.5,0,0,0.42,0.7,0.42,0.42,0.7,0,0,0,0,0.71429,0,0,0.5,0.16667,0,2.5,0.41667,2.5,0.41667,0,0,-2.5,-0.41667,0,0,5.69868,0.94978,5.69868,0,0,2.77005,0.46167,2.77005,0,0,0.14395,0.02399,0.14395,0.02399,0,5,0,0,0,0,0,0,1,0.881290899,1.319035274,2.395461844,2.90869497,2.63034294,2.028212946,17.62581798,26.38070549,47.90923688,58.17389939,52.6068588,40.56425892,0.203911514,0.305196025,0.554257681,0.673008645,0.608604049,0.469284287,3.440637196,3.002892821,1.926466251,1.413233125,1.691585155,2.293715149,0.207463733,0.310512661,0.56391307,0.684732722,0.619206173,0.477459406,6.616095946,11.86902845,15.56720586,14.98523755,13.42855542,8.070974753,23.80204551,17.71551634,15.91187884,16.46882451,14.18890078,10.52154675,6,3.2,5.333333333,6,0,5,2.12,0.954,0.944940787,2.941682753,2.080083823,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.103,0.084,0.088,0.025,2.54,5,3,2,0,0,0,0,0,0,21,1.791759469,1.791759469,1.386294361,1.098612289,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,0,112.3323665,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,86.10955045,4.305477522,10.67917749,1.779862916,0,0,0,32,3,3.693,20,1.220894737,2.103173734,2.866227449,3.481606509,4.458488244,5.352201744,0,0,0,0,67.74862772,64.92246437,53.73170424,46.30289634,29.20798765,5.438179512,0,0,0,0,263.8372191,301.2768942,310.6084069,288.867083,324.7167879,166.3664711,0,0,0,0,8.859366903,14.89288075,20.06662049,24.03635565,30.84235415,35.95857474,0,0,0,0,2.030985313,2.547295132,2.859045839,2.828771283,3.470694886,2.379657965,0,0,0,0,176.3944505,330.6965185,467.2285651,593.9267762,753.7080676,989.7165796,0,0,0,0,2.492653509,3.434273209,4.446910857,4.851021523,6.683519787,5.352201744,0,0,0,0,0.422269342,0.539354181,0.61427093,0.615416415,0.762713537,0.548065459,0,0,0,0,357.6913985,122.5615197,8.611633058,141.5189316,-48.49089298,-8.604111353,216.1724669,171.0524127,17.21574441,0.716514417,0.245510784,0.017250511,0.283485583,-0.097135195,-0.017235443,178.5632411,61.18397672,4.299016181,70.64771253,-24.20715469,-4.295261268,0.08576595,0.190164208,1.485600379,12.37944435,499.21033,0,1,0,310.4078457,17.6183951,6.770866172,446.0263509,21.11933595,7.640471717,476.928456,21.83869172,7.812998576,1.463026135,1.205835205,323.3377633,278.6229185,74.98855203,1.160485164,4.311828333,3.715539385,3.714259789,3.220218461,6.42424645,0.994972244,3.904607748,4.742676419,2.30750979,14.59537325,5.371323117,3.184223797,4.445472319,8.803563869,2.930492366,5.567213732,0.884220332,1.126710553,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.327686671,4.742376741,0.1403447,5.318846764,0.537063159,0.090119943,0.321566196,0.420332872,0.999042645,0.076317739,0.006228704,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.05781252,4.742397317,0.488176359,6.485060806,0.870514822,0.407570523,0.873592172,1.52653453,1.210010517,0.50393807,0.064899514,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.685631203,4.742643712,2.141394874,13.77016824,4.844248848,2.883679025,4.090505371,8.076321457,2.74741123,4.985837849,0.787825132,1.003878818,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.559021026,4.742423496,0.755020674,7.501587376,1.293404312,0.718759713,1.338573823,2.465542683,1.409253625,1.003308067,0.140967789,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.715379333,4.742813825,2.960530141,17.94288387,7.585266227,4.423180983,5.876141169,11.73922679,3.681979415,7.998223977,1.289548769,1.643201451,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.382118359,4.023965691,1.05304845,9.292171182,2.165270721,1.36795853,2.00598993,3.755213295,2.153185928,2.03970989,0.298118512,0.379869115,2.71E-15,3.72E-51,9.85E-109,5.04E-188,4.96E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.784053,1.195212013,0.567671482,0.682187907,0.215472453,0.538948546,0.48479583,0.436924265,5.546936495,7.349332354,15.46370255,0.523281861,1.460668642,3.059953094,0.695064126,0.176669504,0.778279988,0.176785226,0.3523128,0.163802889,0.042274796,3.931686723,2.790260649,7.097699312,0.667419981,0.558390485,3.361802645,0.903567819,0.339682601,0.730024735,0.196212249,0.425303854,0.276926578,0.156365311,4.605053064,4.486488816,10.12336742,0.595037103,0.858595742,3.767499191,1.183779004,0.558734364,0.6837551,0.214841435,0.534239732,0.475556057,0.423268722,5.510012559,7.226335713,15.22824009,0.525632651,1.433064511,3.490086016,0.992175046,0.408952949,0.713541875,0.202848422,0.458406686,0.333956694,0.22668288,4.891214011,5.295810132,11.6031367,0.570312812,1.01904626,3.83546565,1.230720263,0.595427855,0.677450954,0.217379764,0.553705058,0.514060201,0.48071748,5.661613768,7.736933505,16.20919616,0.516176431,1.548482739,3.779791872,1.187105812,0.559071711,0.684005213,0.214823088,0.537745022,0.47831075,0.423714629,5.525969396,7.263864888,15.29839626,0.526007819,1.4397704 +UMLYSI0277,L,ethyl isopentanoate,CCOC(=O)CC(C)C,saturated esters,C7H14O2,108-64-5,7945,PubChem,,36.6,0,0.8693,0.75568249,35.0992,23.259102,0,0,23,9,14,0,7,0,2,0,0,0,0,0,0,0,1536.009745,1467.311804,1815.138845,1510.696963,1492.585643,775.618203,466.155986,160.526016,18.289152,3832.572288,4632.085644,5813.371337,5791.519661,4833.070482,3542.983073,2702.016388,1843.095563,559.5073998,173.54554,167.45108,302.118764,355.855396,336.752084,248.50398,168.475592,186.188544,120.932352,27.03328867,33.55214034,44.60979951,46.29891846,38.22651898,27.07502589,24.72432358,20.03172529,8.003032287,3847.310193,3237.717434,6440.121636,7761.672881,7634.906274,5122.798209,3876.645596,4611.235353,3328.517736,96.30555556,60.91666667,107.9722222,116.25,127.5,109.3333333,39,39,18,66.78303239,66.69599109,45.37847112,32.14248857,33.16856984,25.8539401,19.42316608,5.945408,1.016064,166.6335777,210.5493475,145.3342834,123.2238226,107.4015663,118.0994358,112.5840162,68.26279863,31.08374443,7.545458261,7.611412727,7.5529691,7.571391404,7.483379644,8.283466,7.019816333,6.895872,6.718464,1.175360377,1.525097288,1.115244988,0.985083371,0.849478199,0.902500863,1.030180149,0.741915752,0.444612905,167.2743562,147.1689743,161.0030409,165.1419762,169.6645839,170.7599403,161.5268998,170.7864946,184.917652,4.187198068,2.768939394,2.699305556,2.473404255,2.833333333,3.644444444,1.625,1.444444444,1,0.269223719,-0.162902065,0.0618497,-0.061337593,0.11188744,-0.101146577,0.003477123,0.002957325,0.010602789,799.1117029,-15.00476101,115.5881665,-236.739152,286.990037,-750.2745842,-159.8210094,-29.88539176,389.5908434,1081.795272,-149.5950004,-66.47700414,-240.3582281,218.4910474,-323.1198889,-307.8553752,-189.2806026,517.2974161,1.975925913,0.013204083,0.812761369,-0.625235388,-0.064969656,-1.865293278,0.12667696,0.266026276,0.348866677,4.769103567,-1.066326256,-0.682196631,-0.813636158,-0.168629631,0.939039807,-1.299944595,-1.10258481,1.80972649,26.67799994,-6.490143964,-4.002168585,-4.240108234,-3.008614915,8.490433894,-6.848471569,-6.311267445,9.07134085,38.38164251,-1.641619408,12.45583911,-11.62649653,4.6373661,-34.11373661,2.637996219,2.258506616,6.201323251,0.011705379,-0.007404639,0.001546242,-0.001305055,0.002486388,-0.003371553,1.45E-04,1.10E-04,5.89E-04,34.74398708,-0.682034591,2.889704163,-5.037003233,6.377556377,-25.00915281,-6.659208726,-1.106866361,21.64393574,47.03457702,-6.799772747,-1.661925103,-5.114004852,4.855356609,-10.77066296,-12.8273073,-7.01039269,28.73874534,0.085909822,6.00E-04,0.020319034,-0.013302881,-0.00144377,-0.062176443,0.005278207,0.009852825,0.019381482,0.207352329,-0.048469375,-0.017054916,-0.017311408,-0.003747325,0.031301327,-0.054164358,-0.040836474,0.100540361,1.159913041,-0.295006544,-0.100054215,-0.090215069,-0.066858109,0.283014463,-0.285352982,-0.233750646,0.503963381,1.668767066,-0.074619064,0.311395978,-0.247372267,0.10305258,-1.137124554,0.109916509,0.083648393,0.344517958,-0.632584324,0.132096746,-0.111491919,0.212414099,-0.288034462,0.012377226,0.009357283,0.05032249,-0.019630291,0.083171346,-0.144974819,0.183558564,-0.719812402,-0.19166507,-0.031857782,0.622954864,-0.144569659,-0.035334114,-0.108728624,0.103229516,-0.228994575,-0.272720796,-0.14904764,0.611013156,0.006986228,0.236515845,-0.154847027,-0.016805647,-0.723740789,0.06143892,0.114687992,0.225602632,-0.233753706,-0.0822509,-0.083487886,-0.01807226,0.1509572,-0.261218952,-0.196942444,0.484876929,-0.254335052,-0.0862601,-0.077777442,-0.057640622,0.243996277,-0.246012392,-0.201524285,0.434483761,-0.044715087,0.186602423,-0.148236546,0.061753724,-0.681415985,0.065866897,0.050125865,0.206450598,1.628499506,0.91459182,1.342142493,1.093321756,2.050129038,0.140127542,0.12737953,1.66E-04,1.090358552,0.921021686,1.148398789,0.780736095,1.99113891,0.972129706,0.740670252,0,1.504503624,1.098818674,1.07413793,0.775656657,1.034700101,1.335342839,1.017404068,0,0.709899086,0.71758318,1.281467032,1.106227306,3.174566866,0.077015877,0.058678763,0,1.714180848,1.17704081,1.055612538,0.86744163,0.64010416,1.35410965,1.03170259,0,1.747015013,1.186280531,1.057577814,0.905889672,0.601184184,1.314917029,1.001841546,0,0.61371932,0.491988672,1.11877201,1.267565205,3.493278792,0.081600063,0.127375708,0,40.92030621,20.7101531,31.68877771,41.3091951,4.589910566,20.71015311,0.5,0.05889144,0.006543493,-2.548853574,36.5055688,4.056174311,3.237718337,40.93340339,20.71596728,31.6975066,41.32114985,4.591238872,20.71596728,0.498531158,0.058577765,0.006508641,-2.553660078,36.52156027,4.057951141,3.238112501,52.64732742,25.92466923,40.04979262,52.02666934,5.780741038,25.92466923,-0.797988956,0.161759594,0.017973288,-1.639479629,96.07700668,10.67522296,4.108635021,40.94714949,20.72206955,31.70666973,41.33369696,4.592632995,20.72206955,0.4969896,0.058248697,0.006472077,-2.558730202,36.53841475,4.059823861,3.238527749,65.21387965,31.52464556,49.74093954,63.5303108,7.058923422,31.52464556,-2.164588529,0.288908213,0.032100913,-1.117481619,36.25540045,4.028377827,3.231529513,42.29367047,21.31996942,32.61284532,42.56299032,4.729221146,21.31996942,0.346268372,0.026767588,0.002974176,-3.25850718,38.5785537,4.286505967,3.287426867,43.23937792,21.8753747,34.45425776,43.84708767,4.87189863,21.8753747,1.093877551,0.244314333,0.027146037,-1.26836967,40.68139245,4.520154717,3.33519372,0,11.89,15.99591816,-0.315924404,0.261724132,4.193307192,7.453904712,8,22,21,21,7,1,1,0,0,1,18.178898,3.574307892,3.218271881,2.898985754,2.333552793,2.054206871,1.861140552,1.021734445,0.964202747,1.855416898,1.650687786,1.30123147,1.249629723,0.870509444,0.490858296,0.340472948,0.083923071,3.512705595,3.168047573,2.85019845,2.405454588,2.027044404,1.785040754,1.118123474,0.604408284,1.82185131,1.611855917,1.294835492,1.134540686,0.794264806,0.540661645,0.217931647,0.270913902,3.667348576,3.38225231,3.075080419,2.704236987,2.385973978,2.176160696,1.598814462,1.226889531,1.632385077,1.344324644,1.013947229,0.76031856,0.35779301,0.109759062,0.326606746,0.943918427,3.513988825,3.16831043,2.845611361,2.457539916,2.04203129,1.800627333,1.198597157,0.459593575,1.810391774,1.588273276,1.286905212,1.058262671,0.743778734,0.526623628,0.115922076,0.399277246,3.69767849,3.436659816,3.125027893,2.838982085,2.496891824,2.274419124,1.798409989,1.208936353,1.591636896,1.285916387,0.965105126,0.631337262,0.246538759,0.012575238,0.520745179,1.207644823,4.817920298,3.427550576,3.355131324,2.631436576,2.613471195,2.338661349,1.564924163,1.298041458,1.726485429,1.408818163,1.010055669,0.881436576,0.508208706,0.069071385,0.181938992,0.583333333,0,0,1,0,0,4,1,1,0,0,0,0,0,0,0,0,0,0,0,0.696923425,0,0,0,0.467173856,0,0,0,0.606493072,1.057677536,0.638071187,0.279811503,0.300430976,0.16511504,7.276020882,4.16390246,3.523395961,1.655247862,1.415388264,0.353553391,0.23570226,0,0.808446765,0.520487808,0.39148844,0.23646398,0.202198323,0.11785113,0.11785113,0,6.308060412,3.320532426,2.402992165,0.880240162,0.553246536,0.176776695,0.11785113,0,0.700895601,0.415066553,0.266999129,0.125748595,0.079035219,0.058925565,0.058925565,0,12.22239284,22.87618354,21.77647059,22.12,13.55036048,177.5068275,0.531408384,0.994616676,0.946803069,0.96173913,0.589146108,7.717688154,1.5956,36.088,23.54410915,35.6176469,47.08821831,5.232024257,23.54410916,0.046214987,0.005134999,-2.767006032,47.54060139,5.282289043,3.475425701,72,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,1,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.345,-0.090277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.424791667,0.5125,0,0,0,0,0,0,0,0,0,0,5.811574074,0,1.027175926,0,0,0,0.406527778,0,0,-0.090277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.63125,4.71375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.71375,-0.090277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305625,0.5125,0,0,0,0,0,0,0,0,0,0,1.817685185,0,0.49162037,0,0,0,0.406527778,0,0,-0.090277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.63125,4.71375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.63125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,1.996944444,0,0.535555556,0,0,0,0.406527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.63125,4.71375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.5,2.5,0.555902778,10.63125,0.225555556,-0.090277778,3.191202269,1.756944444,3.63125,9.69,1.756944444,3.63125,9.69,4.16666,0.46296,0,0.03704,0.52319,0.87037,0.42414,0.52319,0.87037,0.09905,0,-0.09905,0,0.53191,0.18238,0,0.44,0.24,0,6.25,0.69444,4.75,0.52778,1.5,0.16667,-3.25,-0.36111,0,0,7.41658,0.82406,10.47473,3.05815,0.33979,3.08446,0.34272,4.16389,1.07943,0.11994,0.25011,0.02779,0.25011,0.02779,0,8.02,2,2,2,2,0,0,0.857142857,1.264672679,1.999307329,3.022286955,3.381620108,3.294663586,2.924073936,29.08747163,45.98406858,69.51259998,77.77726248,75.77726248,67.25370053,0.279574524,0.441976334,0.668121048,0.747556934,0.728333914,0.646409614,3.258889277,2.524254627,1.501275001,1.141941848,1.22889837,1.59948802,0.279574524,0.441976334,0.668121048,0.747556934,0.728333914,0.646409614,11.60803893,20.77103861,23.11864071,23.48078566,22.4373074,19.9019142,32.94327953,20.86971424,18.91330382,18.33036391,19.64700493,18.99687989,9,4.839506173,5.87755102,9,3,4,2.01,1.1693,0.721124785,2.210418899,2.649083346,0,0.333333333,2.37841423,0,0.5,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.426,0.519,0.065,3.629,9,7,7,3,2,0,0,0,0,45,2.302585093,2.48490665,2.302585093,2.397895273,1.386294361,1.098612289,0,0,0,0,3.988984047,1.177777778,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.5,7,0.875,0,3,6,1,2.5,0.666666667,0.625,0.16,0.111111111,0,0,0,0,0,0.3125,0.074074074,0.089285714,0.022857143,0.037037037,0,0,0,0,0,0.535753968,23.54410915,35.6176469,47.08821831,5.232024257,23.54410916,0.046214987,0.005134999,-2.767006032,47.54060139,5.282289043,3.475425701,26.3,144.5723458,4.169925001,3.555348061,4.204692619,4.96284463,5.631211782,6.398594935,7.072421901,7.841885929,8.517393171,9.287208816,74.47160184,2.833213344,0,3.970291914,0,5.252273428,0,6.608000625,0,8.002024818,8.292548514,130.0993797,5.656494769,16.49037012,1.832263347,5.268054819,5.268054819,0,102,7,1.994,34,1.233227273,2.114970128,2.879264076,3.56723651,4.617391408,5.650284517,6.444292151,7.330233068,0,0,92.90307534,106.2645668,100.570825,134.5470134,132.8073382,123.661977,41.16076513,7.447985932,0,0,281.9160909,330.2743536,375.3664009,418.9963268,584.6265555,680.6078085,461.3772479,227.8510913,0,0,9.447098999,16.08909438,21.84885897,26.75603014,38.02033008,39.78383726,44.54147134,49.24790698,0,0,1.992608666,2.48296345,2.956062171,3.236070385,4.440144929,6.106682494,4.952821659,3.259116218,0,0,179.7781318,336.9420842,472.4419847,598.3090473,780.3346251,903.7709159,1092.436971,1355.489488,0,0,3.498409091,6.000226415,7.220593818,10.18909708,16.21553881,9.493523952,9.56509974,7.330233068,0,0,0.450467386,0.585067034,0.705378852,0.807571923,1.134690105,1.30561933,1.089318641,0.750615866,0,0,424.1914864,332.9270217,15.24581516,135.0865533,-106.0227876,-17.79797857,289.104933,438.9498094,33.04379372,0.758462618,0.595279983,0.027259814,0.241537382,-0.189570804,-0.031823131,237.240983,186.1987721,8.526649615,75.55094274,-59.29621683,-9.954018563,0.333431844,0.402478241,1.384149603,8.241266688,506.7127478,52.5652919,0.906012237,0.093987763,648.0661598,25.45714359,8.653791915,783.6846649,27.99436845,9.219636166,1144.44664,33.82967099,10.46000397,1.893856371,1.893856371,760.3996621,692.0289603,116.0554149,1.098797458,6.552039494,5.962918324,4.361349438,4.434143809,8.525339268,0.922657368,3.917833806,5.241530381,3.688152008,15.59674579,5.13432009,4.694232265,6.984894657,7.29332106,3.168079808,3.761529543,3.61484523,2.75196576,3.415098785,3.681851818,1.00956674,1.975447144,3.28E-10,1.11E-41,7.22E-95,9.06E-170,2.20E-266,0,0,0,0,0,0,0,0,0,0.345304163,5.392468607,0.317445353,7.177219718,0.515256553,1.866336635,2.223320835,0.744978897,0.776598568,0.263473074,1.977056403,0.148017388,0.302502796,0.026049501,0.010261582,0.013913236,2.31E-12,7.81E-44,5.08E-97,6.38E-172,1.55E-268,0,0,0,0,0,0,0,0,0,1.067266495,5.111387977,0.750775686,7.212763472,0.779887079,2.034338522,1.91257455,1.439445712,0.995523479,0.660831334,2.295138545,0.519897157,0.672842455,0.270528085,0.082192326,0.144986644,2.41E-11,8.13E-43,5.30E-96,6.65E-171,1.61E-267,0,0,0,0,0,0,0,0,0,3.703230625,5.392091234,3.957237221,16.54506756,4.990503634,4.861361337,7.378527694,7.837146986,3.331921352,3.955620497,3.508840936,2.536077994,3.130796999,3.280544183,0.901675523,1.76008784,2.92E-10,9.87E-42,6.43E-95,8.07E-170,1.96E-266,0,0,0,0,0,0,0,0,0,1.565372702,5.004588602,0.983547594,7.526215309,1.085803055,2.191039076,2.012865946,1.817545159,1.124038028,0.895722219,2.518309643,0.822581858,1.005755245,0.587334516,0.170778532,0.314930364,5.23E-11,1.77E-42,1.15E-95,1.44E-170,3.50E-267,0,0,0,0,0,0,0,0,0,4.731374743,5.337015147,5.024931618,19.32762311,7.342987395,5.941921773,9.422396199,10.1386012,4.26973779,5.230369155,4.013848794,3.615425143,4.574187424,5.369253592,1.462080127,2.881004004,4.79E-10,1.62E-41,1.05E-94,1.32E-169,3.20E-266,0,0,0,0,0,0,0,0,0,2.456710395,5.007369144,2.920697211,20.04062707,3.358657818,3.903084556,9.892716767,8.580183563,2.770831904,2.89344963,2.684990015,1.227084538,1.785551496,1.253370196,0.357480273,0.672200764,1.12E-10,3.77E-42,2.46E-95,3.08E-170,7.47E-267,0,0,0,0,0,0,0,0,0,7.346628676,1.138753283,0.53482807,0.81446315,0.126244653,0.575558631,0.475706059,0.454067607,9.020210029,12.90421798,26.39879831,0.721694725,1.505332297,5.174125858,0.719477207,0.190833744,0.850386983,0.118248776,0.285549287,0.195805256,0.052760172,6.084436809,4.847363958,11.64221098,0.775580474,0.534114715,6.344270722,0.848890081,0.323774852,0.843996944,0.112930338,0.429205991,0.264371322,0.166005968,7.516935655,7.714553062,16.97520683,0.765995416,0.859583281,7.123374067,1.120422709,0.519617231,0.812853765,0.127852308,0.541133298,0.460433492,0.428415697,8.763414007,12.26480892,25.17538681,0.719280647,1.429982487,6.849933781,0.931870673,0.387083785,0.838539295,0.114075581,0.500325397,0.318537798,0.237775271,8.16888824,9.395462726,20.03520447,0.757808942,1.056638467,7.421664255,1.175067636,0.560655646,0.8104565,0.12831909,0.587385659,0.506512616,0.499033896,9.157387538,13.54076375,27.58760534,0.71568475,1.59293217,7.16816661,1.13292875,0.525027115,0.81215354,0.128360869,0.547989176,0.470528541,0.437229204,8.826122474,12.47932218,25.56920142,0.71823031,1.455746921 +UMLYSI0278,L,2-ethylhexanal,CCCCC(CC)C=O,saturated aldehyde,C8H16O,123-05-7,31241,PubChem,,36.6,0,-0.8429,0.71048041,34.8995,25.550688,0,0,25,9,16,0,8,0,1,0,0,0,0,0,0,0,1426.337993,1395.726244,1543.084756,1606.225584,1339.832014,922.674192,553.422286,136.264464,9.144576,4101.865902,5103.133676,6643.350915,6988.819682,6096.186048,4534.060344,2962.842461,1400.716757,279.7536999,181.171268,176.699608,324.531736,427.802064,413.462344,348.418056,236.940544,171.896256,60.466176,30.06821048,38.67834896,54.79468909,60.01432267,52.9245122,40.4226857,27.45658988,14.95476339,4.001516144,4158.488567,3490.864584,7056.450859,9856.764611,9482.64833,8162.71454,5567.986686,4248.052897,1664.258868,87.77777778,58.5,85.16666667,111.9166667,127.0833333,104.5,72,48,9,57.05351972,58.15526017,34.29077236,26.7704264,23.50582481,19.222379,16.7703723,5.677686,1.016064,164.0746361,212.6305698,147.6300203,116.480328,106.9506324,94.45959051,89.78310487,58.36319819,31.08374443,7.24685072,7.362483667,7.211816356,7.1300344,7.253725333,7.2587095,7.180016485,7.162344,6.718464,1.202728419,1.611597873,1.217659758,1.000238711,0.928500214,0.842139285,0.832017875,0.623115141,0.444612905,166.3395427,145.452691,156.8100191,164.2794102,166.3622514,170.0565529,168.7268693,177.002204,184.917652,3.511111111,2.4375,1.892592593,1.865277778,2.229532164,2.177083333,2.181818182,2,1,0.146515673,-0.031059156,-0.055369515,0.013807002,0.009256401,-0.009681306,0.010321745,-0.015307547,0.004774539,768.774544,-47.36742976,-205.9627308,76.1744458,-130.1775783,-70.27507972,-109.7477485,-49.84524996,152.8140992,1217.082179,-96.77620442,-358.6042911,-15.91282994,-222.7081805,27.59924178,-216.3523138,33.95510852,240.2583799,1.10707456,-0.003873818,-0.065815488,0.116996896,-0.163255917,-0.270857555,-0.067454419,-0.175056058,0.075779078,5.405687815,-0.45802099,-1.539221764,-0.528267839,-1.02831522,0.472879775,-1.041064163,0.460130831,0.959035463,29.76971422,-2.530394954,-8.260107032,-3.631047665,-5.71135576,3.063187019,-5.808715659,2.96582712,5.027749819,34.97333333,1.161155556,-2.420888889,1.754,-4.675866667,-8.482133333,-0.7248,-5.947733333,1.8496,0.005860627,-0.001294131,-0.001230434,2.30E-04,1.62E-04,-2.02E-04,3.13E-04,-6.38E-04,5.31E-04,30.75098176,-1.973642907,-4.576949573,1.269574097,-2.283817163,-1.464064161,-3.325689349,-2.076885415,16.97934436,48.68328717,-4.032341851,-7.968984248,-0.265213832,-3.907161061,0.574984204,-6.55613072,1.414796188,26.69537554,0.044282982,-1.61E-04,-0.001462566,0.001949948,-0.002864139,-0.005642866,-0.002044073,-0.007294002,0.008419898,0.216227513,-0.019084208,-0.034204928,-0.008804464,-0.018040618,0.009851662,-0.031547399,0.019172118,0.106559496,1.190788569,-0.105433123,-0.183557934,-0.060517461,-0.100199224,0.063816396,-0.176021687,0.12357613,0.558638869,1.398933333,0.048381481,-0.053797531,0.029233333,-0.082032749,-0.176711111,-0.021963636,-0.247822222,0.205511111,-0.220817928,-0.209949155,0.03926486,0.027709152,-0.034415069,0.053369743,-0.108830413,0.090520075,-0.06418146,-0.148839137,0.041285644,-0.074268106,-0.047610323,-0.108149046,-0.067538833,0.552156172,-0.082828052,-0.163690349,-0.005447739,-0.080256722,0.01181071,-0.134669023,0.02906123,0.548347844,-0.003644946,-0.03302773,0.044033806,-0.064678094,-0.12742741,-0.046159342,-0.164713441,0.190138449,-0.08825985,-0.158189528,-0.040718519,-0.083433499,0.045561556,-0.145899097,0.088666413,0.492811921,-0.088540591,-0.154148216,-0.050821332,-0.084145268,0.05359171,-0.147819429,0.103776718,0.46913355,0.034584551,-0.038456108,0.020896874,-0.058639498,-0.126318465,-0.015700274,-0.177150845,0.146905579,1.006197809,0.871858556,0.688693822,1.166783243,1.325929759,1.020051038,1.311792931,3.96E-08,1.27017752,1.175325236,0.885631458,1.050561328,1.00049186,1.021833301,0.910921354,0,1.493936626,1.308311257,0.986894305,1.004255901,0.83267253,1.001837775,0.657764237,0,0.543739349,0.618789759,0.613036939,1.279709937,1.545320489,1.120783837,1.592407651,0,1.559118204,1.328908229,1.024556404,1.002225237,0.783786347,1.000960898,0.563608991,0,1.562487086,1.323036769,1.029624156,1.006500919,0.781259685,1.002807215,0.550939609,0,0.501969755,0.601516499,0.619519634,1.284688083,1.558925848,1.107337192,1.629813191,0,45.61326132,22.93163066,34.59040068,45.80770576,5.089745085,22.93163066,0.25,0.162302293,0.018033588,-1.636465209,43.76244272,4.862493636,3.40089838,45.61515841,22.932212,34.59107844,45.80903164,5.089892405,22.932212,0.249265579,0.162280247,0.018031139,-1.636587468,43.75959488,4.862177209,3.40083981,47.30547376,23.45323964,35.20980503,46.99514472,5.221682746,23.45323964,-0.398994478,0.141069514,0.01567439,-1.762652252,41.54900225,4.616555806,3.354186157,45.61714947,22.93282213,34.59178981,45.8104232,5.090047022,22.93282213,0.2484948,0.162257105,0.018028567,-1.636715821,43.75660692,4.861845214,3.400778355,49.11731256,24.01750915,35.91192065,48.27552813,5.36394757,24.01750915,-1.082294264,0.1138718,0.012652422,-1.95541382,39.86917807,4.429908675,3.317043191,45.81204637,22.99259028,34.66161024,45.94670629,5.105189588,22.99259028,0.173134186,0.15997302,0.01777478,-1.649475095,43.4687594,4.829862156,3.394838255,54.18131901,27.00588526,41.63156167,54.49657474,6.055174971,27.00588526,0.567460317,0.163043721,0.018115969,-1.6323632,37.58810882,4.176456536,3.264018971,0,11.9886304,16.00592525,-0.388756116,0.20901337,3.885741148,8.262568055,8,24,23,23,7,1,1,0,0,1,18.449312,3.579110656,3.226466476,2.88575821,2.640792388,2.047450789,1.688594571,1.285486277,1.015974621,1.915664948,1.716194722,1.431639462,1.194330164,0.870731257,0.79908048,0.580587668,0.336280338,3.574430294,3.242495712,2.844303754,2.6283398,2.063037565,1.77585287,1.387395565,1.082649929,1.86983807,1.64862167,1.357866349,1.16471524,0.796937161,0.668557696,0.43155791,0.189926838,3.697998243,3.405781264,3.077881693,2.882380002,2.387774424,2.150423903,1.837706969,1.577957957,1.699559872,1.423917332,1.067742835,0.845757933,0.392471389,0.2162723,0.085742097,0.364411033,3.585905946,3.264308858,2.861179395,2.635442458,2.093108582,1.840042538,1.465210465,1.155209426,1.842862924,1.606494253,1.318326703,1.14095719,0.739745086,0.579201985,0.330845944,0.091614045,3.743387671,3.475071793,3.14891931,2.956909287,2.506657848,2.3145769,2.028509425,1.770070105,1.65399631,1.356826177,0.987528802,0.775842218,0.278593339,0.058147286,0.272164752,0.557038116,4.920307458,3.477795522,3.272254692,2.880728412,2.381864459,1.948718662,1.692056541,1.525126457,1.815538765,1.521721402,1.146993252,0.828959377,0.47236002,0.382858011,0.180698742,0.107178602,0,0,1,0,0,2,4,1,0,0,0,0,0,0,0,0,0,0,0,0.204124145,0,0,0,0.166666667,0,0,0,0.552585858,0.594861352,0.306186218,0.352559179,0.317338368,0.200687358,7.112884175,4.346065215,2.82475051,2.120626365,1.189722705,0.577350269,0.288675135,0,0.790320464,0.543258152,0.353093814,0.265078296,0.198287117,0.144337567,0.144337567,0,6.391375954,3.799745737,2.446639235,1.645295832,0.834703415,0.454638787,0.19245009,0,0.710152884,0.474968217,0.305829904,0.205661979,0.139117236,0.113659697,0.096225045,0,13.04942153,24.43335761,23.15294118,23.48,14.86867545,192.3805617,0.521976861,0.977334304,0.926117647,0.9392,0.594747018,7.695222467,2.4017,39.37,24.09878462,35.85217663,48.19756925,5.355285472,24.09878462,0.113693781,0.012632642,-1.956821915,40.3593464,4.484371822,3.328040701,74,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,7,1,0,1,0,0,0,0,0,0,0,0,2,0,4,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24194822,1.079027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.53375,0,0,2.021621315,0.401388889,0,0.53375,0,0,0,0,0,0,0,0,4.214533258,0,4.473796296,0,1.079027778,0,0.324027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24194822,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24194822,1.079027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.53375,0,0,0.232454649,0.401388889,0,0.53375,0,0,0,0,0,0,0,0,2.064212963,0,1.003472222,0,1.079027778,0,0.324027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24194822,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24194822,1.079027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.53375,0,0,0.401388889,0.401388889,0,0.53375,0,0,0,0,0,0,0,0,2.150320295,0,1.19875,0,1.079027778,0,0.324027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24194822,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.33333333,2.259259259,0.544628685,10.24194822,0.232454649,0.324027778,4.416887765,1.009305556,3.241948224,6.912962963,1.009305556,3.241948224,6.912962963,4.33333,0.48148,0,0.01852,0.47467,0.78519,0.42414,0.47467,0.78519,0.05053,0,-0.05053,0,0.61321,0.10108,0,0.30769,0.11538,0,5.75,0.63889,4.25,0.47222,1.5,0.16667,-2.75,-0.30556,0,0,7.93736,0.88193,10.02592,2.08856,0.23206,3.64101,0.40456,4.34606,0.70505,0.07834,0.06794,0.00755,0.06794,0.00755,0,8.01,1,1,1,1,0,0,0.875,1.12385619,1.899721832,2.98346519,3.62346519,3.479079571,2.943129823,28.09640474,47.49304581,74.58662974,90.58662974,86.97698927,73.57824557,0.242009258,0.40908283,0.642454259,0.780270758,0.749179007,0.633768511,3.52,2.744134357,1.660391,1.020391,1.164776619,1.700726367,0.242009258,0.40908283,0.642454259,0.780270758,0.749179007,0.633768511,9.698823506,16.6363783,21.24609798,21.891106,19.65492834,17.07294158,33.32875244,24.18403926,19.21587609,17.33967221,20.47861204,20.4589205,9,6.125,4.5,9,1,7,2.23,1.2515,0.166666667,3.604654325,0.707106781,0,4.610539557,3.494135594,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.441,0.435,0.583,0.156,4.181,8,8,6,4,2,0,0,0,0,45,2.302585093,2.302585093,2.397895273,2.197224577,1.791759469,1.386294361,0,0,0,0,3.988984047,1.177777778,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.625,7,0.875,0,3,6,1,1.5,0.666666667,0.375,0.16,0.111111111,0,0,0,0,0,0.1875,0.083333333,0.046875,0.026666667,0.027777778,0,0,0,0,0,0.372152778,24.09878462,35.85217663,48.19756925,5.355285472,24.09878462,0.113693781,0.012632642,-1.956821915,40.3593464,4.484371822,3.328040701,17.07,153.0781037,4.169925001,3.496507561,4.17438727,4.875197323,5.579729826,6.289715571,7.00033446,7.712890961,8.425297177,9.138736953,73.6927971,2.833213344,0,3.891820298,0,5.153291594,0,6.499787041,0,7.884952946,8.179199798,128.1201151,5.124804605,16.66420735,1.851578595,2.42403919,2.42403919,0,104,8,3.156,32,1.235958333,2.140465111,2.887096182,3.585815954,4.600998572,5.779047885,6.822588067,8.149714457,0,0,82.65488409,82.24271932,87.57170625,96.57585103,103.0992251,109.0732155,41.03297137,8.28063147,0,0,288.2546398,339.5918236,362.5095424,425.6811367,478.0445541,558.2528664,417.3670865,253.3236414,0,0,9.131483182,15.49519157,20.66401865,26.10374096,33.2339474,41.64104434,48.88326487,54.75356319,0,0,2.130889087,2.746532185,3.037859234,3.60825072,4.176473212,5.065732191,4.413970252,3.623468219,0,0,177.5843575,331.8894989,470.6396819,587.7740091,772.0753433,965.6937665,1199.745047,1507.026062,0,0,3.0600625,4.169005032,5.563381762,8.070927655,9.676819945,13.02211804,13.71553629,8.149714457,0,0,0.451779063,0.593796863,0.672824329,0.817948875,0.952498348,1.165865777,1.051657607,0.83453076,0,0,387.5576035,244.9204677,11.80712282,192.9445616,-121.9330284,-20.04911887,194.6130419,366.8534961,31.85624169,0.667624734,0.421911377,0.020339498,0.332375266,-0.2100475,-0.034537544,224.978028,142.1768618,6.854060361,112.0047358,-70.782387,-11.63855691,0.194233007,0.478722116,1.319407087,16.71462483,545.5870771,34.91508807,0.939853647,0.060146353,567.3014486,23.81809078,8.278239066,722.2940259,26.87552838,8.972318345,969.5489248,31.13758059,9.897448326,2.336596318,2.336596318,843.8467163,759.3764681,136.2777232,1.111236326,6.192110468,5.572271465,4.664826545,4.466158665,8.836778877,0.978608361,4.475623891,6.683273034,4.105793014,22.42102079,10.57148629,4.490869426,7.19238634,11.1669194,9.804934685,1.987094323,3.768550229,7.654719761,4.349101236,0.860335357,2.474850258,0.241081057,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.392101864,6.683048261,0.276864096,7.630291623,1.007201284,1.232525803,1.783468021,0.567788933,3.13072207,0.222466486,0.233048308,0.360329804,0.151710605,0.859568918,0.112752628,0.00169802,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.218374691,6.682945993,0.792880974,8.834578276,1.678949698,1.382766786,2.323533553,1.873004936,3.99696963,0.334496453,0.587703423,1.291643508,0.626373646,0.859709676,0.426540802,0.017694156,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,4.229734703,6.683306881,4.115209471,21.15610053,9.69993078,4.810845359,7.097413288,10.60302226,9.220845093,1.878596514,3.92598336,7.044391597,3.966021077,0.860307283,2.270681911,0.214798927,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,1.788084699,6.682924931,1.140320684,10.17417495,2.478054731,1.565534843,2.876605504,2.925311222,4.738923439,0.481648574,0.812496292,2.089122454,1.0633753,0.859804774,0.691937989,0.038433908,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,5.404987032,6.683447592,5.515145573,28.71933553,14.97357065,5.757272627,8.856338605,15.13843778,12.16684542,2.738873849,5.327425811,10.26560245,5.956839648,0.860542218,3.298422411,0.351593848,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,2.810985228,5.904399678,3.979624792,14.61962088,5.667946126,6.908932799,6.945026631,7.458706608,6.125997089,1.377416807,4.747246754,4.263759477,1.902482271,1.238386999,1.337303337,0.086789491,0.05015848,5.68E-20,1.24E-59,5.23E-121,4.25E-204,0.00E+00,0,0,0,0,0,0,0,0,7.077110006,1.041013491,0.576472149,0.813966548,0.119731099,0.53881773,0.400152562,0.420442333,8.694595645,12.04723909,24.98891661,0.720949822,1.359412625,5.820314772,0.903252057,0.205035711,0.840041659,0.130365691,0.375752282,0.289350379,0.04316773,6.92860254,6.635782596,14.64230119,0.760062488,0.708270391,6.332475198,0.851794332,0.352061493,0.840259694,0.113025069,0.433219665,0.261095692,0.142524273,7.536331023,7.92327114,17.35861006,0.760389541,0.836839629,7.010254827,1.06826915,0.571405543,0.810440687,0.12350033,0.529359538,0.413711496,0.393612512,8.649929521,12.10495235,25.03404597,0.715661031,1.336683546,6.584261735,0.85713643,0.411753729,0.838422817,0.109145531,0.466679669,0.270105477,0.211594803,7.853151894,8.707634042,18.88456365,0.757634226,0.948379949,7.163268617,1.076582855,0.606526008,0.80974033,0.121697594,0.552001075,0.427589704,0.4649531,8.84637748,12.7095364,26.23335279,0.714610494,1.444543879,7.028559149,1.077303074,0.572844768,0.809862478,0.124131749,0.532263594,0.419833866,0.392508572,8.678706992,12.21528914,25.23151278,0.714793717,1.344606032 +UMLYSI0279,L,methyl-3-methyl-2-butenoate,COC(=O)C=C(C)C,unsaturated esters,C6H10O2,924-50-5,13546,UML,,36.4,0,1.4607,2.13364449,32.016,18.83193,0,0,18,8,10,0,6,0,2,0,0,0,0,0,0,0,1387.681368,1274.619331,1515.99884,1247.35881,1097.612893,521.421602,145.285056,18.289152,0,3284.720409,3749.622277,4383.121813,4293.288951,3494.098132,2268.658453,1376.839396,559.5073998,0,139.131168,131.440036,216.9428,192.66528,248.042836,170.243336,85.411584,120.932352,0,22.46593705,26.3090631,31.78055858,32.38450924,27.55520063,16.66948748,13.36253172,8.003032287,0,2980.845228,2498.432887,4570.901803,3813.864918,5600.710757,3489.920632,1837.470573,3328.517736,0,92.80555556,57.83333333,96.44444444,85.66666667,99.33333333,79,24,18,0,77.09340933,74.97760771,54.14281571,49.8943524,33.26099676,26.0710801,12.107088,1.016064,0,182.4844672,220.5660163,156.5400647,171.731558,105.8817616,113.4329227,114.7366164,31.08374443,0,7.729509333,7.731766824,7.747957143,7.7066112,7.516449576,8.5121668,7.117632,6.718464,0,1.248107614,1.547591947,1.135019949,1.29538037,0.83500608,0.833474374,1.11354431,0.444612905,0,165.6025127,146.9666404,163.246493,152.5545967,169.7185078,174.4960316,153.1225477,184.917652,0,5.155864198,3.401960784,3.444444444,3.426666667,3.01010101,3.95,2,1,0,0.277750748,-0.170255154,0.036943809,-0.001258436,0.075177641,-0.099529711,-0.006382119,0.026428594,0,663.856216,-9.534489444,223.0791831,-356.3622762,220.929901,-559.1817598,-362.8586667,512,0,866.1096724,-133.5335166,306.5805476,-630.3610859,138.8223306,-117.2183396,-648.8941008,651.5493285,0,1.881856,-0.014157778,0.596015111,-0.298534222,-0.051918667,-1.719617778,0.031157333,0.516128,0,3.87734243,-0.994912954,1.39879729,-2.871771935,-0.361225485,1.434051246,-2.741374522,2.197765144,0,21.92945949,-6.116843013,7.918943004,-15.80698164,-3.751720105,10.47708828,-14.55800178,10.87278551,0,36.50771605,-2.181670096,12.76731824,-7.098679698,-0.244084362,-29.99314129,-2.134773663,10.63117284,0,0.015430597,-0.010015009,0.001319422,-5.03E-05,0.00227811,-0.004976486,-5.32E-04,0.001468255,0,36.88090089,-0.56085232,7.967113683,-14.25449105,6.694845485,-27.95908799,-30.23822222,28.44444444,0,48.11720402,-7.854912743,10.94930527,-25.21444344,4.20673729,-5.860916979,-54.0745084,36.19718492,0,0.104547556,-8.33E-04,0.021286254,-0.011941369,-0.001573293,-0.085980889,0.002596444,0.028673778,0,0.215407913,-0.058524291,0.049957046,-0.114870877,-0.010946227,0.071702562,-0.228447877,0.122098064,0,1.218303305,-0.359814295,0.282819393,-0.632279266,-0.113688488,0.523854414,-1.213166815,0.60404364,0,2.028206447,-0.128333535,0.455975652,-0.283947188,-0.007396496,-1.499657064,-0.177897805,0.590620713,0,-0.649035741,0.08550685,-0.003262184,0.147635917,-0.322507645,-0.034466795,0.095152199,0,-0.015207121,0.216022751,-0.38650062,0.181526083,-0.758091243,-0.819888384,0.771251346,0,-0.163245411,0.227554894,-0.524021375,0.087426886,-0.12180502,-1.123808199,0.752271161,0,-0.007965853,0.203603555,-0.114219494,-0.015048586,-0.822409366,0.024835056,0.274265406,0,-0.271690537,0.231918342,-0.533271391,-0.050816271,0.332868748,-1.060536142,0.566822555,0,-0.29534049,0.232142022,-0.518983461,-0.093317064,0.429986861,-0.995783899,0.495807273,0,-0.063274395,0.224817179,-0.139999155,-0.003646816,-0.7394006,-0.087711882,0.291203449,0,1.635892886,0.986609369,1.081184416,0.896996067,1.938999786,0.148982813,0.020360473,0,0.947774903,0.765735743,1.30871745,0.756003827,1.958982297,1.550126446,0,0,1.359308315,0.743150554,1.608477863,0.78494469,0.82278088,2.209400351,0,0,0.720180503,0.84241678,0.927257814,0.94696419,3.072627396,0.107120842,0,0,1.589299252,0.752643859,1.701695426,0.872423894,0.35499153,2.206306658,0,0,1.626717752,0.759354609,1.69950297,0.903313554,0.317941001,2.119010634,0,0,0.609460202,0.514853652,1.067384706,1.194318806,2.966610306,0.232827493,0,0,27.95926781,14.2296339,21.50089568,28.33426781,3.541783476,14.22963637,0.5,0.040959411,0.005119926,-2.556138942,25.81306675,3.226633344,2.600704662,27.9691577,14.23384443,21.50675583,28.34305607,3.542882009,14.23384689,0.498531158,0.040613801,0.005076725,-2.562917872,25.81544349,3.226930436,2.600778318,36.91630886,18.05915995,27.26034042,36.31781714,4.539727143,18.05915999,-0.797988956,0.226645434,0.028330679,-1.187494757,45.95420897,5.744276121,3.062116355,27.97953798,14.23826379,21.51290783,28.35228018,3.544035023,14.23826624,0.4969896,0.040251137,0.005031392,-2.570093622,25.81795999,3.227244998,2.600856299,46.63648784,22.23594966,34.22558306,45.01304645,5.626630806,22.23594966,-2.164588529,0.397181095,0.049647637,-0.738690356,39.73101821,4.966377277,2.945705758,28.99816954,14.67221896,22.1229642,29.25787082,3.657233853,14.67222048,0.346268372,0.005096048,6.37E-04,-4.223432028,26.17706662,3.272133328,2.611906966,26.74538863,13.74831228,21.06672799,27.3184045,3.414800563,13.74831704,1.146031746,0.155124798,0.0193906,-1.490820269,25.9077851,3.238473137,2.603634805,0,11.89,15.99591765,-0.315619538,0.285617868,4.123494111,7.419539979,7,17,15,15,5,2,2,0,0,2,13.80607,3.612861286,3.121305614,2.592243007,2.333552793,1.881187352,1.088803464,0.370902361,0.083923071,1.813064143,1.450967135,1.249629723,1.11768584,0.369758809,0.083923071,0.083923071,0.083923071,3.558665638,2.989714972,2.550731766,2.405454588,1.825463876,0.634402169,0.483904352,0.270913902,1.791797384,1.456653954,1.134540686,1.102537831,0.44955369,0.270913902,0.270913902,0.270913902,3.677552524,3.252158808,2.823709922,2.704236987,2.149452827,1.255966238,0.959233587,0.943918427,1.639641776,1.136004753,0.790963214,0.76031856,0.058383318,0.943918427,0.943918427,0.943918427,3.555967269,2.957741591,2.566170694,2.457539916,1.818959404,0.569786838,0.465142894,0.399277246,1.788379074,1.458789778,1.082744974,1.058262671,0.445544086,0.399277246,0.399277246,0.399277246,3.696093232,3.283921933,2.897401055,2.838982085,2.223684437,1.209058028,1.207644823,1.207644823,1.612940582,1.097879525,0.712871108,0.631337262,0.004484778,1.150754368,1.207644823,1.207644823,4.522163137,3.426539832,3.120807494,2.546278942,2.313602841,1.699146376,0.631947557,0.529411765,1.692186664,1.168199932,0.958043648,0.842602725,0.077017378,0.529411765,0.529411765,0.529411765,0,0,1,1,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.696923425,0,0,0,0.336787657,0,0,0,0.691044062,0.902368927,0.666666667,0.216506351,0.190019914,0.131094349,6.568914101,3.66390246,3.142969116,1.570696873,0.971404521,0.333333333,0,0,0.821114263,0.523414637,0.39287114,0.261782812,0.194280904,0.166666667,0,0,5.39384685,2.39384685,1.744847575,0.607710728,0.294627825,0.11785113,0,0,0.674230856,0.341978121,0.218105947,0.101285121,0.058925565,0.058925565,0,0,10.13873723,18.10050983,17.3254902,17.6,10.9532515,138.193012,0.563263179,1.00558388,0.962527233,0.977777778,0.608513972,7.677389554,1.05179,31.177,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,54,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,2,0,1,0,0,0,0,0,0,0,0,3,0,0,0,1,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66930556,2.112824074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.573263889,0,0,0,0.791805556,0,0.573263889,0,0,0,0,0,0,0,0,5.051203704,0,0,0,1.444444444,0,0,0,0,0.66837963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.32361111,4.345694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.345694444,-0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.573263889,0,0,0,0.395902778,0,0.573263889,0,0,0,0,0,0,0,0,1.36287037,0,0,0,1.444444444,0,0,0,0,-0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.32361111,4.345694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.32361111,1.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.573263889,0,0,0,0.395902778,0,0.573263889,0,0,0,0,0,0,0,0,1.844166667,0,0,0,1.444444444,0,0,0,0,0.955416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.32361111,4.345694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.83333333,2.729166667,0.628472222,10.32361111,0.224375,-0.287037037,2.492322917,1.953703704,3.323611111,8.338611111,1.953703704,3.323611111,8.338611111,3.66666,0.45833,0,0.04167,0.56296,0.89167,0.42308,0.53667,0.89167,0.13989,0.0263,-0.11359,0,0.51402,0.20027,0,0.5,0.27273,0,7.25,0.90625,4.25,0.53125,3,0.375,-1.25,-0.15625,0,0,4.77061,0.59633,8.9638,4.19319,0.52415,1.87667,0.23458,3.66389,1.78722,0.2234,0.25011,0.03126,0.25011,0.03126,0,7.02,2,2,2,2,0,0,0.5,1.351644115,2.47385139,2.932999307,2.932999307,2.932999307,2.469674306,24.32959407,44.52932501,52.79398752,52.79398752,52.79398752,44.45413752,0.324141109,0.593260404,0.703369798,0.703369798,0.703369798,0.592258687,2.818280886,1.696073612,1.236925695,1.236925695,1.236925695,1.700250695,0.318189072,0.582366667,0.69045418,0.69045418,0.69045418,0.581383345,12.44827692,23.49459827,23.95733904,23.95733904,23.95733904,18.39743904,29.36606616,18.22472917,18.18713542,18.18713542,18.18713542,15.40718542,8,3.9375,5,8,5,4,1.9,0.9854,0.814325285,1.310370697,2.941682753,0,0,2,0,0.5,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.418,0.634,0.224,3.275,8,6,5,2,0,0,0,0,0,36,2.302585093,2.63905733,2.63905733,2.708050201,1.609437912,0,0,0,0,0,4.127134385,1.694444444,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,5,0.714285714,0,3,5,0.666666667,2.5,0.666666667,0.5,0.16,0,0,0,0,0,0,0.357142857,0.083333333,0.083333333,0.032,0,0,0,0,0,0,0.555809524,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,26.3,124.6399025,4,3.433987204,4.077537444,4.828313737,5.493061443,6.248042875,6.918695219,7.673688129,8.34640487,9.100860271,71.12059119,2.708050201,0,3.850147602,0,5.141663557,0,6.49677499,0,7.884199934,8.176110342,114.0680796,6.337115531,14.49663423,1.812079278,5.087090413,5.087090413,0,71,6,1.119,30,1.224620744,2.103534469,3.065478695,3.706057552,4.727876466,6.065195324,6.416812078,0,0,0,102.9883589,128.9470959,160.010436,137.997497,136.1118986,73.43185353,6.519891747,0,0,0,291.4970111,363.3027595,543.9425084,423.058141,574.3372844,695.8999892,199.4585467,0,0,0,9.551578357,16.46055899,23.61122022,27.89039623,40.01474829,43.16982833,43.11112094,0,0,0,1.99518248,2.574042064,4.072815605,3.268723184,4.206942908,6.753863743,2.852997458,0,0,0,178.4836568,338.3462302,465.7371891,622.7299561,816.9377127,928.7181605,1186.581823,0,0,0,4.33338515,7.767885007,10.42158673,11.16282261,17.96534897,12.13039065,6.416812078,0,0,0,0.461923372,0.616029095,0.952213839,0.829032543,1.132039498,1.455646878,0.657081557,0,0,0,327.9592674,240.6354888,15.48350744,85.45696523,-62.70284343,-20.23133595,242.5023022,303.3383322,35.71484339,0.793290736,0.582065893,0.037452587,0.206709264,-0.151670008,-0.048936966,135.5836848,99.48261721,6.401133315,35.32929662,-25.92237331,-8.363962688,0.389233405,0.430107768,3.231588546,15.82568335,338.8719495,74.54428317,0.819687092,0.180312908,595.0085945,24.392798,8.410873082,695.3844076,26.37014235,8.859481715,998.1903428,31.59415045,9.993964167,1.820378222,1.77074034,559.8128564,471.2477101,98.18389861,1.187937563,5.701676795,4.799643493,4.037320551,4.428045918,7.584799637,0.712899951,4.190435086,3.896243208,2.612791325,10.79684733,2.158681097,6.846318245,4.047046447,6.767719389,5.749965765,1.871820136,2.91273053,1.760227862,3.481893817,0.974432615,6.52E-08,8.41E-37,2.09E-87,1.00E-159,9.29E-254,0,0,0,0,0,0,0,0,0,0,0,0.360537015,4.15228716,0.268175971,6.029882726,2.067487195,0.774463324,0.753100569,1.831008085,0.77956719,0.207197527,0.225016866,0.068857917,0.075194336,0.006863009,4.59E-10,5.92E-39,1.47E-89,7.07E-162,6.54E-256,0,0,0,0,0,0,0,0,0,0,0,1.138400661,3.656773459,0.553803753,5.734388229,1.496972124,1.494821615,1.290529879,1.76420755,1.360458971,0.364360045,0.563440829,0.274241366,0.385735093,0.071517841,4.78E-09,6.17E-38,1.54E-88,7.37E-161,6.82E-255,0,0,0,0,0,0,0,0,0,0,0,3.958174329,4.160893553,3.044398145,11.71194959,2.43849868,6.935655211,4.096578929,6.690822512,6.602207618,2.330099528,2.673830351,1.607205141,3.137194743,0.868201917,5.81E-08,7.49E-37,1.86E-87,8.94E-160,8.28E-254,0,0,0,0,0,0,0,0,0,0,0,1.673722307,3.4691361,0.644391186,5.698695917,1.305695665,2.003325901,1.623734943,2.06858261,1.577478578,0.368061215,0.858169723,0.456758356,0.713178323,0.155346307,1.04E-08,1.34E-37,3.33E-88,1.60E-160,1.48E-254,0,0,0,0,0,0,0,0,0,0,0,5.060568825,4.069618715,3.63916068,13.40815818,2.5460812,9.157845213,5.101585519,8.93909155,7.84582193,2.722569548,3.88170087,2.382980974,4.912739915,1.421118391,9.50E-08,1.23E-36,3.05E-87,1.46E-159,1.36E-253,0,0,0,0,0,0,0,0,0,0,0,2.368192656,4.414651288,2.563969485,14.58495464,4.131812074,5.817105788,2.692377942,6.23252022,7.450600136,1.800892632,1.261252968,0.699173204,1.160622642,0.273110871,1.83E-08,2.36E-37,5.86E-88,2.81E-160,2.60E-254,0,0,0,0,0,0,0,0,0,0,0,6.181195112,1.345037067,0.265113044,0.793341193,0.1726322,0.580234442,0.499331899,0.333287339,7.791345223,10.30923887,20.30471712,0.690011789,1.41285368,4.221841787,0.818523919,0.042141603,0.830661233,0.161047268,0.270998206,0.185781931,0.008421292,5.082507308,3.668087573,8.896222712,0.745991849,0.465201429,5.029527323,0.978803003,0.127511991,0.819696313,0.15952219,0.384267052,0.264937829,0.077100763,6.135842317,5.689050611,12.45262381,0.729544469,0.726305645,6.019933336,1.31992582,0.248855508,0.793274435,0.173932725,0.550399097,0.481190061,0.293664291,7.588714664,9.772429824,19.33851687,0.689911652,1.325253448,5.451786803,1.078243462,0.173954274,0.813215897,0.16083621,0.451404868,0.32107494,0.143491716,6.703984539,7.01428015,14.7408294,0.719823846,0.915971525,6.307627591,1.393625834,0.281183759,0.79018819,0.174586508,0.604210352,0.536031075,0.374918689,7.982437184,10.95594015,21.41011551,0.685282285,1.515160116,6.035008499,1.327260029,0.251521702,0.792641814,0.174323167,0.553042091,0.48552757,0.299990534,7.61379023,9.861795868,19.49028136,0.688962721,1.338560194 +UMLYSI0280,L,2-methyl-2-pentanol,CCCC(C)(C)O,saturated alcohols,C6H14O,590-36-3,11543,PubChem,,36.4,0,0.1527,0.02331729,29.5947,20.697102,0,0,21,7,14,0,6,0,1,0,0,0,0,0,0,0,1135.777623,1087.00373,1526.91686,1078.917216,718.007687,219.998016,21.337344,0,0,3192.664609,3993.903654,5432.953298,5523.378722,4008.034251,2172.789327,652.758633,0,0,152.653308,149.736848,269.824712,360.667848,378.85034,215.001216,141.087744,0,0,23.60118467,30.29468402,42.89705953,47.382465,39.13774798,22.30496066,9.336871002,0,0,3535.064551,2963.092506,5884.301797,7845.563371,9393.134083,5134.993079,3883.270693,0,0,68.0625,49.625,84.625,121,89.25,58,21,0,0,54.08464871,54.3501865,41.26802324,22.477442,13.29643865,7.3332672,1.016064,0,0,152.0316481,199.6951827,146.8365756,115.07039,74.2228565,72.42631089,31.08374443,0,0,7.269205143,7.4868424,7.292559784,7.5139135,7.015747037,7.1667072,6.718464,0,0,1.123865937,1.514734201,1.159379987,0.987134687,0.724773111,0.743498689,0.444612905,0,0,168.3364072,148.1546253,159.0351837,163.4492369,173.9469275,171.166436,184.917652,0,0,3.241071429,2.48125,2.287162162,2.520833333,1.652777778,1.933333333,1,0,0,0.218920052,-0.120810265,0.060536009,-0.092503682,0.054546045,-0.036457352,0.025229219,0,0,638.6281311,-66.44114433,161.4825139,-678.714856,230.7054166,-278.8439996,312.4980039,0,0,965.983639,-78.0117429,36.07902339,-843.5445351,315.7997123,-381.542379,468.2281018,0,0,1.082321143,-0.089402612,0.187354367,-0.720529469,0.115922204,-0.222323918,0.187818857,0,0,4.253148428,-0.249912087,-0.616197497,-2.781311084,1.081475357,-1.364307118,1.803678214,0,0,23.45618849,-1.219488698,-4.65109666,-13.63898625,5.322901367,-6.88709608,9.345672075,0,0,24.48809524,-5.387471655,7.988236961,-17.44005102,5.033588435,-6.512755102,4.074404762,0,0,0.010424764,-0.006040513,0.001636108,-0.00192716,0.001010112,-0.001215245,0.001201391,0,0,30.41086339,-3.322057216,4.364392269,-14.13989283,4.27232253,-9.294799988,14.88085733,0,0,45.9992209,-3.900587145,0.97510874,-17.57384448,5.84814282,-12.7180793,22.29657628,0,0,0.051539102,-0.004470131,0.005063632,-0.015011031,0.002146707,-0.007410797,0.008943755,0,0,0.202530878,-0.012495604,-0.016653986,-0.057943981,0.020027321,-0.045476904,0.085889439,0,0,1.116961357,-0.060974435,-0.125705315,-0.284145547,0.098572248,-0.229569869,0.445032004,0,0,1.166099773,-0.269373583,0.215898296,-0.363334396,0.093214601,-0.217091837,0.194019274,0,0,-0.579438829,0.156944395,-0.184863654,0.096895423,-0.116572904,0.115243983,0,0,-0.109239161,0.143514251,-0.4649619,0.140486723,-0.305640779,0.489327026,0,0,-0.084796809,0.021198375,-0.382046568,0.127135693,-0.276484668,0.48471639,0,0,-0.0867328,0.098248346,-0.291255183,0.041652016,-0.143789802,0.17353339,0,0,-0.06169728,-0.08222937,-0.286099491,0.098885275,-0.224543065,0.424080712,0,0,-0.054589565,-0.112542224,-0.254391564,0.088250365,-0.205530718,0.398430976,0,0,-0.231003889,0.185145646,-0.311580882,0.079937071,-0.186169178,0.166383082,0,0,1.494438273,0.595709332,1.69177933,0.72001749,1.105346818,0.229677735,0,0,1.420617299,0.942434253,1.618528316,0.626426231,1.1733737,0,0,0,1.575881923,1.162696506,1.413787641,0.642815692,1.096291223,0,0,0,1.044336986,0.724239256,2.014157272,0.583823432,1.137013114,0,0,0,1.628819317,1.294806085,1.325816986,0.647882826,1.029696684,0,0,0,1.633454525,1.326007278,1.31185876,0.648147136,1.00998248,0,0,0,1.204666991,0.633236542,2.024261667,0.544009615,1.197860963,0,0,0,26.23175606,13.24087803,20.01071603,26.41032749,3.772903927,13.2408829,0.25,0.167805087,0.023972155,-1.249466517,23.71006925,3.38715275,2.216129875,26.23476568,13.24201563,20.01199325,26.41281253,3.773258932,13.2420205,0.249265579,0.167743683,0.023963383,-1.249722712,23.70893329,3.38699047,2.216096336,28.97892239,14.28996395,21.24231694,28.69392633,4.099132333,14.28996551,-0.398994478,0.101264647,0.014466378,-1.603012547,23.18586528,3.312266468,2.200479986,26.23792459,13.24320969,20.01333396,26.41542087,3.773631553,13.24321455,0.2484948,0.167679215,0.023954174,-1.249991791,23.70774191,3.386820273,2.21606116,32.01059466,15.4641502,22.85770788,31.23752733,4.462503904,15.46415067,-1.082294264,0.015458939,0.00220842,-2.918697514,26.11557137,3.730795911,2.283772219,26.54815031,13.36064225,20.14571783,26.67181759,3.810259656,13.36064649,0.173134186,0.161251926,0.023035989,-1.277351164,23.59550613,3.37078659,2.212739393,31.5681397,16.03823652,25.14878838,31.93123494,4.561604991,16.03823682,0.508333333,0.178448417,0.025492631,-1.20641899,20.38341843,2.911916919,2.110305224,0,11.99635526,15.9979425,-0.415285548,0.085338148,5.048901183,7.80253056,6,20,20,20,6,0,0,0,0,0,15.304898,3.537719537,3.028051631,2.333552793,2.218748459,2.008999824,1.37729651,0.403729293,0.083923071,1.879872811,1.600653858,1.249629723,1.120722206,0.673446553,0.548205502,0.083923071,0.083923071,3.526193175,3.051468439,2.405454588,2.284917868,1.767842926,1.454665716,0.508132794,0.270913902,1.840347379,1.527599281,1.134540686,1.007142867,0.667760254,0.481002522,0.270913902,0.270913902,3.662498816,3.245293617,2.704236987,2.580338444,2.300631497,1.909186347,0.961666443,0.943918427,1.655220488,1.265915122,0.76031856,0.633228708,0.111497147,0.056501218,0.943918427,0.943918427,3.535503862,3.077418833,2.457539916,2.335241127,1.736963547,1.503339372,0.589601812,0.399277246,1.816714767,1.480471486,1.058262671,0.932594105,0.682773354,0.388889093,0.399277246,0.399277246,3.707921023,3.3270729,2.838982085,2.712739985,2.366583264,2.090098927,1.207644823,1.207644823,1.609389712,1.187389831,0.631337262,0.506158829,0.014084383,0.218132041,1.142084802,1.207644823,4.240134451,3.32117986,3.024620719,2.634654398,2.422899266,1.659308094,0.633560166,0.585365854,1.758499809,1.350421142,0.878556837,0.807062741,0.293966465,0.176540284,0.585365854,0.585365854,0,0,0,0,0,3,2,1,0,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,0.893387954,0.158113883,0,0,0.75,1,0.25,0.473606798,0.585410197,0.111803399,5.914213562,3.060660172,3.310660172,1,0.75,0,0,0,0.844887652,0.510110029,0.413832521,0.25,0.25,0,0,0,5.361427158,2.78426697,2.56243426,0.861803399,0.611803399,0,0,0,0.765918165,0.464044495,0.320304282,0.21545085,0.203934466,0,0,0,10.50759373,20.54552076,19.42745098,19.72,12.07012096,162.609612,0.500361606,0.978358131,0.925116713,0.939047619,0.574767665,7.743314856,1.5574,31.2058,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,38,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.514166667,0,9.017638889,0,0,0,0,0,0,0,0,0,0,0.514166667,0,0,0,0,0,0,0,0,0,0,0,0,0,1.435833333,0,0,0,0,0,0,0,0,0,0,0,5.727152778,0,1.954861111,0,0,0,0,0,0,0,0,0,-0.449652778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.017638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.514166667,0,9.017638889,0,0,0,0,0,0,0,0,0,0,0.514166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,1.829861111,0,0.895833333,0,0,0,0,0,0,0,0,0,-0.449652778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.017638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.514166667,0,9.017638889,0,0,0,0,0,0,0,0,0,0,0.514166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,2.067430556,0,1.059027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.017638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.25,2.321428571,0.514166667,9.017638889,0.24,-0.449652778,3.306208125,1.699652778,3.017638889,6.170138889,1.699652778,3.017638889,6.170138889,3.33333,0.47619,0,0.02381,0.46984,0.80952,0.42174,0.46984,0.74583,0.0481,0,-0.0481,0.06369,0.58823,0.12606,0,0.55,0,0.15,3.25,0.46429,3.25,0.46429,0,0,-3.25,-0.46429,0,0,6.87954,0.98279,7.77542,0.89589,0.12798,2.79751,0.39964,3.06066,0.26315,0.03759,0.35334,0.05048,0.35334,0.05048,0,6.01,1,1,1,1,1,1,1,1.115520094,1.779907716,2.55758766,3.046381113,2.932461236,2.191067441,23.42592197,37.37806204,53.70934087,63.97400337,61.58168595,46.01241626,0.253970737,0.405232032,0.582286619,0.693570346,0.667634179,0.498840869,3.276797329,2.612409707,1.834729763,1.34593631,1.459856187,2.201249982,0.258107046,0.411831867,0.591770063,0.704866219,0.678507641,0.506965269,9.935135927,15.18735361,18.46000251,17.90574698,16.53870845,11.19331117,25.72285013,19.80118464,17.31680752,17.73997205,15.11798569,11.96193432,7,2.34375,6,7,0,5,2.01,1.0127,0.944940787,2.941682753,0,2.080083823,1,0,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.436,0.422,0.37,0.184,3.206,8,4,3,0,0,0,0,0,0,28,1.945910149,2.197224577,1.609437912,1.386294361,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,3,0.666666667,0.375,0,0,0,0,0,0,0,0.5,0.083333333,0.09375,0,0,0,0,0,0,0,0.677083333,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,20.23,121.1225932,3.807354922,3.36729583,3.970291914,4.812184355,5.433722004,6.285998095,6.91274282,7.767687277,8.395929104,9.25157828,69.19742968,2.564949357,0,3.80666249,0,5.198497031,0,6.650279049,0,8.123557835,8.386628821,102.1044651,4.862117384,12.44898539,1.778426484,2.327665043,2.327665043,0,46,4,1.728,28,1.2214,2.116399108,2.894626976,3.440404518,4.312349306,5.17907449,0,0,0,0,77.91771384,98.8976303,70.54057672,55.44466194,35.06355544,5.262271143,0,0,0,0,269.3444456,337.5925369,348.0993081,281.6794187,335.8212245,160.9850278,0,0,0,0,9.169769619,15.55403873,21.78066131,24.19292071,31.11505242,34.79542551,0,0,0,0,1.986542612,2.600215288,2.946824451,2.656247968,3.381761165,2.302683353,0,0,0,0,178.525005,332.5305219,470.9762053,593.1506426,729.9630902,957.7022944,0,0,0,0,3.06726875,5.168212415,7.366667454,5.90498833,8.788830246,5.17907449,0,0,0,0,0.431093955,0.58808732,0.685005378,0.604381358,0.782242976,0.530337228,0,0,0,0,340.3698347,206.2638291,11.28620137,159.7727303,-96.82213809,-16.90366839,180.5971044,303.0859672,28.18986976,0.680545625,0.412410068,0.022565969,0.319454375,-0.193589078,-0.0337977,170.2334421,103.1613206,5.644709701,79.90914312,-48.42487249,-8.454244067,0.347341271,0.643250349,5.10210984,15.24144096,461.7591095,38.38345544,0.923254971,0.076745029,408.0877446,20.20118176,7.417391191,552.0501458,23.4957474,8.203380253,709.6837341,26.6398899,8.919796585,1.463026135,1.205835205,339.5267831,335.5156282,116.2810214,1.011955196,2.919881327,2.885385973,3.816044845,3.220218461,6.42424645,0.994972244,4.340044604,5.125417504,2.801696059,15.6863037,8.703831962,5.410808152,5.638056821,9.887212178,3.757785149,5.567213732,0.884220332,1.126710553,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.38413492,5.252197177,0.169696325,6.697526665,0.97203607,0.117186687,0.318199441,0.592396013,1.109233746,0.076317739,0.006228704,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.120585269,5.015979394,0.590911494,7.453264325,1.698409568,0.586078235,0.926060713,1.792972983,1.390546993,0.50393807,0.064899514,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.319606141,5.251942431,2.599520976,15.66753542,8.307961619,4.903231204,5.144148509,9.606006736,3.848243323,4.985837849,0.787825132,1.003878818,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.584635688,4.926230396,0.914514353,8.196455041,2.372725407,1.081233535,1.485322386,2.688859252,1.573351532,1.003308067,0.140967789,0.179622809,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.421862594,5.205695966,3.596875408,19.11402745,11.91594911,7.666012169,7.660912972,13.32234036,4.890603363,7.998223977,1.289548769,1.643201451,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.762207865,4.924307516,1.208592958,15.25550701,5.934352907,2.322550618,2.37168426,6.78830611,4.178856651,2.073010726,0.302985672,0.386070957,2.75E-15,3.78E-51,1.00E-108,5.12E-188,5.05E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.605585062,1.142767143,0.781184045,0.652059214,0.206666001,0.512184532,0.465479475,0.383552279,5.52953625,7.829681123,16.57796448,0.478088821,1.361216286,2.767990095,0.595286233,0.575847565,0.702691809,0.15112148,0.307427345,0.176018779,0.17386498,3.939123893,3.584480879,8.472455521,0.554037714,0.657311105,3.181519909,0.844152594,0.565150664,0.693017307,0.183878264,0.3990503,0.252934768,0.201342923,4.590823167,4.960799774,11.06944146,0.539525961,0.853327991,3.546043236,1.111420128,0.806900047,0.648939862,0.203394256,0.4954688,0.440353648,0.410873409,5.46436341,7.699251232,16.34372378,0.473409793,1.346695856,3.359630288,0.955468189,0.579949196,0.686332496,0.195190783,0.444650797,0.324413543,0.211103362,4.895047673,5.712557758,12.46925387,0.529498744,0.980167702,3.645036415,1.173795226,0.818442476,0.64659556,0.208220356,0.523459888,0.491420769,0.421253648,5.637274117,8.222462843,17.36146465,0.46989334,1.436134306,3.560655362,1.116005104,0.805713062,0.649473325,0.203562398,0.499561346,0.444092327,0.409597613,5.482373528,7.741755981,16.4257992,0.474209987,1.353251286 +UMLYSI0281,L,3-methyl-1-pentanol,CCC(C)CCO,saturated alcohols,C6H14O,589-35-5,11508,PubChem,,36.3,0,-0.84,0.7056,27.534,20.697102,0,0,21,7,14,0,6,0,1,0,0,0,0,0,0,0,1135.777623,1087.00373,1197.024914,1087.135609,822.337411,383.966229,71.664768,3.048192,0,3192.664609,3993.903654,5158.827299,5275.621075,4235.384602,2324.131325,702.698697,93.25123329,0,152.653308,149.736848,269.497616,343.377004,341.074396,281.893212,109.43424,20.155392,0,23.60118467,30.29468402,42.62577832,46.51009598,39.61287531,23.36792563,7.608590221,1.333838715,0,3535.064551,2963.092506,5884.393485,7913.020744,8087.344788,6958.981499,2742.76955,554.7529561,0,66.52777778,49.25,73.25,85.91666667,89.33333333,80,31,3,0,54.08464871,54.3501865,32.3520247,22.64865852,17.1320294,9.845287923,4.7776512,1.016064,0,152.0316481,199.6951827,139.4277648,109.9087724,88.23717921,59.5931109,46.8465798,31.08374443,0,7.269205143,7.4868424,7.283719351,7.153687583,7.105716583,7.228031077,7.295616,6.718464,0,1.123865937,1.514734201,1.152048063,0.968960333,0.825268236,0.59917758,0.507239348,0.444612905,0,168.3364072,148.1546253,159.0376617,164.8545988,168.4863498,178.435423,182.8513033,184.917652,0,3.167989418,2.4625,1.97972973,1.789930556,1.861111111,2.051282051,2.066666667,1,0,0.229489886,-0.101651618,-0.028674942,0.002418479,0.028663301,-0.022548937,-0.007432353,0.014481127,0,638.6281311,-66.44114433,-168.4094321,-125.7860105,-69.3689139,58.76742159,7.281441612,44.64257198,0,965.983639,-78.0117429,-238.0469756,-217.91205,-331.1377251,181.030837,134.1961084,66.88972883,0,1.082321143,-0.089402612,-0.139741633,-0.065076327,0.114707673,-0.206766694,-0.181712245,0.026831265,0,4.253148428,-0.249912087,-0.887478714,-0.949119173,-2.068698185,0.895507861,0.875457768,0.257668316,0,23.45618849,-1.219488698,-4.55940872,-5.130969369,-12.21879936,4.910547933,5.154927958,1.335096011,0,24.14550265,-3.20074326,-2.663769211,-1.892101285,2.471655329,-3.242441421,-4.076152683,0.530801209,0,0.01092809,-0.005082581,-7.75E-04,5.04E-05,5.97E-04,-5.78E-04,-4.95E-04,0.004827042,0,30.41086339,-3.322057216,-4.551606272,-2.620541885,-1.445185706,1.506856964,0.485429441,14.88085733,0,45.9992209,-3.900587145,-6.433702044,-4.539834375,-6.898702606,4.641816332,8.946407224,22.29657628,0,0.051539102,-0.004470131,-0.003776801,-0.001355757,0.002389743,-0.00530171,-0.01211415,0.008943755,0,0.202530878,-0.012495604,-0.023985911,-0.019773316,-0.043097879,0.02296174,0.058363851,0.085889439,0,1.116961357,-0.060974435,-0.123227263,-0.106895195,-0.25455832,0.125911485,0.343661864,0.445032004,0,1.14978584,-0.160037163,-0.071993762,-0.039418777,0.051492819,-0.083139524,-0.271743512,0.176933736,0,-0.465093259,-0.070918014,0.004610594,0.054643776,-0.052907495,-0.045340973,0.441709612,0,-0.109239161,-0.149670406,-0.086171243,-0.047522022,0.049549957,0.01596237,0.489327026,0,-0.084796809,-0.139865457,-0.098693723,-0.149974336,0.10091076,0.194490408,0.48471639,0,-0.0867328,-0.0732803,-0.026305402,0.046367575,-0.102867724,-0.235047744,0.17353339,0,-0.06169728,-0.118430886,-0.097631118,-0.212796584,0.113374021,0.288172608,0.424080712,0,-0.054589565,-0.110323658,-0.095701785,-0.227902531,0.112726805,0.307675697,0.398430976,0,-0.139188671,-0.062614932,-0.034283582,0.044784705,-0.072308704,-0.236342719,0.15388408,0,1.384898035,0.802291321,0.665579749,0.613987787,1.35075322,2.264107855,1.519008426,0,1.420617299,1.221657735,1.020682835,0.913065452,0.797790473,0.830171439,0,0,1.575881923,1.316090631,1.11159282,1.052472167,0.538199079,0.328141647,0,0,1.044336986,0.887599872,0.693321637,0.630359733,1.570626299,2.098728905,0,0,1.628819317,1.32928372,1.123252208,1.109963953,0.475653585,0.166350035,0,0,1.633454525,1.323894358,1.117614025,1.118428379,0.479117954,0.155412177,0,0,1.110167634,0.867488503,0.697449874,0.639448888,1.539810031,2.098389394,0,0,28.58980092,14.41990046,21.85922838,28.76837235,4.109767478,14.41990204,0.25,0.017176436,0.002453777,-2.844951789,24.56716392,3.509594845,2.240987526,28.59312255,14.42119406,21.8612061,28.77116939,4.110167056,14.42119564,0.249265579,0.017296291,0.002470899,-2.840084244,24.56602005,3.509431436,2.240954933,31.56619716,15.58360134,23.77395498,31.2812011,4.468743014,15.58360179,-0.398994478,0.128440638,0.018348663,-1.436601908,25.52742293,3.646774704,2.267827298,28.59660875,14.42255177,21.86328218,28.77410503,4.110586434,14.42255335,0.2484948,0.017422101,0.002488872,-2.835011007,24.56482393,3.509260561,2.240920849,34.76687434,16.84229004,26.16211338,33.993807,4.856258143,16.84229016,-1.082294264,0.242505208,0.034643601,-0.991712464,39.40452424,5.629217748,2.571716447,28.93810034,14.55561726,22.06844153,29.06176761,4.151681087,14.55561861,0.173134186,0.029826261,0.004260894,-2.458656234,24.46988111,3.495697301,2.238210113,31.77275476,16.17671055,25.12785508,32.18741581,4.598202259,16.17671085,0.581018519,0.026463915,0.003780559,-2.542381227,23.88765837,3.412522624,2.221353357,0,11.99635526,15.9979425,-0.421693983,0.069917861,4.024597869,7.759628942,6,20,20,20,6,0,0,0,0,0,15.304898,3.505069115,3.011157391,2.661434578,2.093311304,1.726378052,1.255907736,0.926060227,0.083923071,1.897631682,1.537470173,1.373514537,0.930834631,0.766787841,0.397258719,0.356330354,0.083923071,3.520845394,2.98741779,2.685999786,2.05753237,1.761461018,1.215721852,1.047009005,0.270913902,1.844704754,1.481235973,1.293443333,0.846066418,0.663030762,0.336895891,0.199413667,0.270913902,3.649304806,3.212452325,2.943757373,2.430188187,2.165215323,1.773537474,1.554928899,0.943918427,1.663416501,1.199058191,0.963389501,0.415148581,0.187722781,0.275281291,0.362161646,0.943918427,3.538269545,3.003985266,2.717884201,2.087717979,1.807727441,1.237796124,1.13025647,0.399277246,1.811654327,1.449369396,1.238764423,0.795940926,0.588904014,0.272837581,0.090986119,0.399277246,3.704667209,3.282230247,3.046104796,2.543686924,2.31524922,1.935126437,1.764914388,1.207644823,1.610586358,1.124997065,0.864148001,0.292043636,0.040210274,0.435979657,0.566926291,1.207644823,4.333529573,3.499287863,2.995685842,2.647208297,2.070878449,1.710138924,1.267882095,0.610169492,1.773011671,1.269054659,1.021381405,0.547741932,0.360738053,0.055300529,0.324219536,0.610169492,0,0,0,0,0,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.49279928,0.40824829,0.204124145,0.49279928,0.295411238,0.091287093,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.145884208,2.917181397,2.025701938,1.31882215,0.424510683,0.091287093,0,0,0.735126315,0.4861969,0.33761699,0.26376443,0.141503561,0.091287093,0,0,10.50759373,20.54552076,19.42745098,19.72,12.07012096,162.609612,0.500361606,0.978358131,0.925116713,0.939047619,0.574767665,7.743314856,1.4149,31.1578,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.668611111,0,8.367777778,0,0,0,0,0,0,0,0,0,0,0.668611111,0,0,0,0,0,0,0,0,0,0,0,0,0,1.731388889,0,0,0,0,0,0,0,0,0,0,0,4.288240741,0,2.478240741,0,0,0,0.699074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.367777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.668611111,0,8.367777778,0,0,0,0,0,0,0,0,0,0,0.668611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0.227777778,0,0,0,0,0,0,0,0,0,0,0,2.139212963,0,0.342268519,0,0,0,0.699074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.367777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.668611111,0,8.367777778,0,0,0,0,0,0,0,0,0,0,0.668611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.149027778,0,1.181111111,0,0,0,0.699074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.367777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.83333333,2.261904762,0.668611111,8.367777778,0.227777778,0.342268519,3.344138519,1.157731481,2.367777778,5.312037037,1.157731481,2.367777778,5.312037037,3.33333,0.47619,0,0.02381,0.46984,0.80952,0.42174,0.46984,0.74583,0.0481,0,-0.0481,0.06369,0.58823,0.12606,0,0.4,0.15,0,3.25,0.46429,3.25,0.46429,0,0,-3.25,-0.46429,0,0,6.26704,0.89529,7.07892,0.81188,0.11598,2.9698,0.42426,3.30805,0.33826,0.04832,0.10595,0.01514,0.10595,0.01514,0,6.01,1,1,1,1,1,1,1,1.115520094,1.911092835,3.177566232,3.558518613,3.3273399,2.909023955,23.42592197,40.13294954,66.72889087,74.72889087,69.8741379,61.08950306,0.253970737,0.435098981,0.723437294,0.810168818,0.757536303,0.662298207,3.276797329,2.481224587,1.214751191,0.83379881,1.064977523,1.483293468,0.258107046,0.442185245,0.735219597,0.823363678,0.769873961,0.673084765,9.935135927,16.76157504,20.13170624,19.46876578,19.23577809,14.21598675,25.72285013,17.71415401,15.1884632,15.33307658,15.94851797,13.4386223,7,4.166666667,3.84,7,0,5,2.01,1.0127,0.333333333,2.620741394,1.414213562,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,3.39,6,5,3,1,0,0,0,0,0,28,1.945910149,1.945910149,1.791759469,1.386294361,0.693147181,0,0,0,0,0,3.36729583,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,6,1,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,20.23,121.1225932,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,102.1044651,4.862117384,12.66537523,1.809339318,2.388923304,2.388923304,0,50,5,1.928,24,1.2214,2.117439986,2.860440556,3.481061338,4.242886194,5.460115653,6.460273514,0,0,0,77.91771384,77.05752146,74.1430993,73.28271174,53.53106335,29.78452193,6.564051348,0,0,0,269.3444456,317.9598092,335.6252666,337.5355082,280.9884824,270.0484934,200.8094909,0,0,0,9.169769619,15.48237673,20.52895136,24.96211805,31.03435012,40.44559411,43.40311503,0,0,0,1.986542612,2.574356076,2.888300505,3.032484017,2.687949736,2.8150576,2.872320973,0,0,0,178.525005,333.0542487,468.4417989,581.1016401,750.9333165,997.2121034,1194.61861,0,0,0,3.063804167,4.314024814,5.272540418,7.005927092,9.604922284,12.40416651,6.460273514,0,0,0,0.431093955,0.566902609,0.643276386,0.702999763,0.679939681,0.748511113,0.661532008,0,0,0,333.5836018,215.4867324,12.71203929,170.752163,-110.3016618,-22.80265035,162.8314389,325.7883942,35.51468964,0.66143158,0.427268394,0.025205508,0.33856842,-0.218706801,-0.045213233,168.238141,108.677666,6.411136056,86.11642271,-55.62907298,-11.5001921,0.324662216,0.612555838,5.681114836,23.35871413,448.7040249,55.63173995,0.88969305,0.11030695,408.0877446,20.20118176,7.417391191,552.0501458,23.4957474,8.203380253,656.4790429,25.62184699,8.691077491,1.814013082,1.681475963,482.0147867,437.3512936,78.2557511,1.102122696,6.159480676,5.588743158,3.958208843,3.730373775,6.773216466,0.815693781,4.340044604,5.125365794,4.126792488,20.38641091,6.015029908,5.810397313,5.454111343,5.769603545,5.47028586,0.318653935,3.402430181,0.484708863,0.011680389,2.30E-23,8.71E-66,6.37E-130,8.98E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0.38413492,5.252196813,0.34481728,5.656520844,1.032769471,0.249617021,0.536083907,0.229358739,1.350061462,0.020779694,0.289345176,0.003539814,0.001305622,2.57E-24,9.73E-67,7.12E-131,1.00E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,1.120585269,5.015975599,0.873253451,7.208395335,1.373341892,0.842596162,1.241589606,0.892998789,1.652354763,0.071008374,0.550145717,0.035715565,0.002261775,4.45E-24,1.69E-66,1.23E-130,1.74E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,4.319606141,5.251896358,4.36828132,19.21741667,5.470727218,5.455912809,5.409038001,5.300388728,5.854011146,0.296677671,3.32446535,0.432287161,0.014670636,2.88E-23,1.09E-65,8.00E-130,1.13E-215,3.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,1.584635688,4.926222152,1.166548178,8.66458879,1.807975174,1.368185405,1.727858854,1.47837194,1.825021939,0.108628358,0.794944164,0.077311893,0.002239667,4.40E-24,1.67E-66,1.22E-130,1.72E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,5.421862594,5.205620551,5.544851162,26.16836036,8.302037665,8.031000917,7.146908075,7.834121427,7.463780304,0.404269566,4.727266734,0.706903616,0.017059309,3.35E-23,1.27E-65,9.30E-130,1.31E-215,3.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,3.914733033,5.490621171,4.904256751,13.2691474,3.173598937,3.767558286,4.913774182,2.827745491,7.307450812,0.163518993,3.04679502,0.182611917,0.026090261,5.13E-23,1.94E-65,1.42E-129,2.01E-215,4.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,3.98209616,1.166895398,0.576801409,0.695466319,0.203796296,0.503714098,0.459277347,0.415307972,5.725792968,7.61663527,16.0226454,0.543199479,1.378299417,4.277001355,0.604421184,0.16462073,0.847595061,0.119781213,0.581154612,0.122284479,0.033526579,5.046043269,3.388693566,8.860299568,0.771392592,0.736965669,3.745902845,0.8586637,0.341356501,0.757371841,0.173610404,0.446349161,0.247509136,0.145361325,4.945923046,4.78826952,10.83215578,0.636057762,0.839219622,4.112633844,1.137006589,0.557676575,0.708181392,0.195788621,0.537065665,0.436053259,0.388005325,5.807317008,7.603693277,16.01875713,0.562272088,1.361124249,3.621369781,0.969252087,0.421537633,0.722516867,0.193380136,0.417536758,0.315361181,0.222128909,5.012159501,5.445140093,11.93690521,0.583775301,0.955026847,4.054749925,1.199661879,0.602898544,0.692254582,0.204814464,0.52210808,0.485737821,0.453542398,5.857310349,8.032206144,16.82221332,0.538381873,1.4613883,4.118075786,1.14088458,0.559009564,0.707820053,0.196096679,0.538471156,0.438886137,0.389398585,5.817969929,7.638058302,16.08239445,0.56173008,1.366755878 +UMLYSI0282,L,isopropyl butyrate,CCCC(=O)OC(C)C,saturated esters,C7H14O2,638-11-9,61184,PubChem,,36.3,0,-0.2408,0.05798464,34.8465,23.259102,0,0,23,9,14,0,7,0,2,0,0,0,0,0,0,0,1536.009745,1467.311804,1859.018809,1500.574627,1442.609295,785.740539,472.25237,160.526016,18.289152,3832.572288,4632.085644,5725.306923,5526.04496,4734.63243,3808.457774,2888.518855,1843.095563,559.5073998,173.54554,167.45108,302.258596,362.117668,296.301468,242.241708,208.786376,186.188544,120.932352,27.03328867,33.55214034,43.73901583,43.22472668,36.42962522,30.14921767,27.39200101,20.03172529,8.003032287,3847.310193,3237.717434,6434.608879,7921.448277,6530.913118,4963.022813,4986.151509,4611.235353,3328.517736,96.30555556,60.58333333,110.3055556,120.5833333,119.1666667,105.3333333,45,39,18,66.78303239,66.69599109,46.47547022,31.92711972,36.98998192,26.1913513,15.74174567,5.945408,1.016064,166.6335777,210.5493475,143.1326731,117.5754247,121.4008315,126.9485925,96.28396182,68.26279863,31.08374443,7.545458261,7.611412727,7.5564649,7.704631234,7.597473538,8.0747236,6.959545867,6.895872,6.718464,1.175360377,1.525097288,1.093475396,0.919675036,0.934092954,1.004973922,0.9130667,0.741915752,0.444612905,167.2743562,147.1689743,160.865222,168.5414527,167.4593107,165.4340938,166.2050503,170.7864946,184.917652,4.187198068,2.753787879,2.757638889,2.565602837,3.055555556,3.511111111,1.5,1.444444444,1,0.264576431,-0.17209751,0.095872255,-0.076856328,0.081239682,-0.076796216,0.008618523,-0.00286606,0.010597439,799.1117029,-15.00476101,159.4681305,-190.0207117,113.2464585,-796.9930244,-29.95739496,-29.88539176,389.5908434,1081.795272,-149.5950004,-154.5414181,14.90624651,134.1229893,-578.3843634,-135.4229031,-189.2806026,517.2974161,1.975925913,0.013204083,0.952593369,-0.961584605,-0.321090548,-1.52894406,0.242965853,0.266026276,0.348866677,4.769103567,-1.066326256,-1.552980307,0.648238523,0.098911882,-0.522834874,-0.696702431,-1.10258481,1.80972649,26.67799994,-6.490143964,-9.514925244,4.100931816,-0.51963854,0.149393844,-3.824691286,-6.311267445,9.07134085,38.38164251,-1.974952741,14.26018694,-13.64098929,0.765910523,-31.76591052,4.70510397,2.258506616,6.201323251,0.011503323,-0.007822614,0.002396806,-0.001635241,0.002083069,-0.002559874,2.87E-04,-1.06E-04,5.89E-04,34.74398708,-0.682034591,3.986703263,-4.042993866,2.903755346,-26.56643415,-0.998579832,-1.106866361,21.64393574,47.03457702,-6.799772747,-3.863535452,0.317154181,3.439051007,-19.27947878,-4.514096771,-7.01039269,28.73874534,0.085909822,6.00E-04,0.023814834,-0.020459247,-0.008233091,-0.050964802,0.008098862,0.009852825,0.019381482,0.207352329,-0.048469375,-0.038824508,0.013792309,0.002536202,-0.017427829,-0.023223414,-0.040836474,0.100540361,1.159913041,-0.295006544,-0.237873131,0.087253868,-0.013324065,0.004979795,-0.12748971,-0.233750646,0.503963381,1.668767066,-0.089770579,0.356504673,-0.290233815,0.019638731,-1.058863684,0.156836799,0.083648393,0.344517958,-0.680030807,0.208357738,-0.142153794,0.181084087,-0.222533424,0.02497401,-0.0092278,0.051180566,-0.019630291,0.114745129,-0.116365282,0.083575766,-0.764634009,-0.028741083,-0.031857782,0.622954864,-0.144569659,-0.082142451,0.006743001,0.073117507,-0.40990012,-0.095974006,-0.14904764,0.611013156,0.006986228,0.27720735,-0.238147937,-0.095834106,-0.593236031,0.094271662,0.114687992,0.225602632,-0.233753706,-0.187239313,0.066516297,0.012231365,-0.084049353,-0.111999776,-0.196942444,0.484876929,-0.254335052,-0.205078418,0.075224491,-0.011487124,0.004293248,-0.109913162,-0.201524285,0.434483761,-0.053794553,0.213633575,-0.173921107,0.011768408,-0.634518565,0.093983638,0.050125865,0.206450598,1.675240447,0.852016793,1.621419274,1.326337203,1.59694678,0.102228259,0.116668257,2.72E-04,1.090358552,0.890820676,1.168566454,0.931824735,1.959542903,0.777703764,0.740670252,0,1.504503624,1.143591867,0.884770913,0.849067227,1.331375095,1.068274272,1.017404068,0,0.709899086,0.67866087,1.668190895,1.31633644,2.568699481,0.061612701,0.058678763,0,1.714180848,1.277464509,0.811353846,0.897895523,1.02277611,1.08328772,1.03170259,0,1.747015013,1.299932835,0.817785434,0.928690849,0.976858912,1.051933623,1.001841546,0,0.622404028,0.465319383,1.2122712,1.489928354,3.340427942,0.06528005,0.127375708,0,40.43829446,20.46914723,31.05287067,40.82718335,4.536353706,20.46914724,0.5,0.12538321,0.013931468,-1.868742494,345.1774622,38.35305136,5.259652801,40.45282656,20.47567886,31.06344233,40.84057302,4.537841446,20.47567886,0.498531158,0.125088647,0.013898739,-1.870859352,368.6798183,40.96442425,5.31893571,53.39596165,26.29898635,41.03626041,52.77530357,5.863922619,26.29898635,-0.797988956,0.047269871,0.005252208,-2.746693941,34.73163527,3.859070586,3.192885856,40.46807847,20.48253404,31.0745398,40.85462594,4.539402882,20.48253404,0.4969896,0.124779789,0.013864421,-1.873084307,398.5049125,44.27832361,5.388947843,67.2073384,32.52137494,52.24690626,65.52376955,7.280418838,32.52137494,-2.164588529,0.122341975,0.013593553,-1.890841573,31.20925138,3.467694597,3.096643112,41.9611876,21.15372799,32.17119463,42.23050745,4.692278605,21.15372799,0.346268372,0.095990275,0.010665586,-2.109157555,101.4632776,11.27369751,4.157727243,41.02648863,20.76964926,31.73644105,41.63419838,4.626022042,20.76964926,1.093877551,0.263167738,0.02924086,-1.201467298,38.19050445,4.243389384,3.278328219,0,11.89,15.99591816,-0.312883981,0.261718442,4.193307626,6.864987619,8,22,21,21,7,1,1,0,0,1,18.178898,3.564539029,3.242662344,2.889309861,2.333552793,2.096125872,1.6980599,1.332142786,0.77043254,1.809712788,1.726287071,1.291202634,1.249629723,0.766736187,0.571495007,0.344165345,0.083923071,3.467837517,3.256309129,2.814666364,2.405454588,2.070445085,1.545838068,1.384706143,0.541340891,1.794969498,1.663786682,1.275716305,1.134540686,0.771054879,0.468683244,0.322764871,0.270913902,3.650110449,3.421612263,3.056435672,2.704236987,2.418539917,1.978353283,1.844672001,1.164589698,1.582299615,1.435763353,0.981281893,0.76031856,0.357809114,0.030126931,0.173631461,0.943918427,3.457005124,3.275761039,2.804125446,2.457539916,2.077853076,1.573529,1.429246612,0.447535624,1.795344751,1.6225623,1.269920883,1.058262671,0.751097707,0.390156906,0.279108106,0.399277246,3.67155874,3.490424398,3.10150631,2.838982085,2.514490605,2.105160781,1.989572906,1.208671216,1.547688037,1.370196086,0.931693404,0.631337262,0.271677206,0.183350614,0.313515424,1.207644823,4.81792799,3.482122367,3.283964565,2.631436576,2.611919795,2.34234162,1.655163072,1.226697833,1.649173534,1.533385781,0.981400067,0.881436576,0.376170978,0.20490775,0.199900869,0.583333333,0,0,1,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0.696923425,0,0,0,0.294627825,0,0,0,0.606493072,1.057677536,0.638071187,0.193538488,0.265210165,0.16511504,7.276020882,4.16390246,3.523395961,1.655247862,1.415388264,0.353553391,0.23570226,0,0.808446765,0.520487808,0.39148844,0.23646398,0.202198323,0.11785113,0.11785113,0,6.308060412,3.359311261,2.288614388,0.821272261,0.525941422,0.176776695,0.11785113,0,0.700895601,0.419913908,0.254290488,0.117324609,0.075134489,0.058925565,0.058925565,0,12.22239284,22.87618354,21.77647059,22.12,13.55036048,177.5068275,0.531408384,0.994616676,0.946803069,0.96173913,0.589146108,7.717688154,1.7381,36.136,23.54410915,35.6176469,47.08821831,5.232024257,23.54410916,0.046214987,0.005134999,-2.767006032,47.54060139,5.282289043,3.475425701,72,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,1,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.48291667,-0.090277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.495902778,0.5125,0,0,0,0,0,0,0,0,0,0,5.669351852,0,1.406481481,0,0,0,0.031527778,0,0,-0.090277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.63125,4.851666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.851666667,-0.090277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305625,0.5125,0,0,0,0,0,0,0,0,0,0,1.854722222,0,0.539861111,0,0,0,0.031527778,0,0,-0.090277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.63125,4.851666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.63125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,1.959907407,0,0.86662037,0,0,0,0.031527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.63125,4.851666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.5,2.5,0.555902778,10.63125,0.154444444,-0.090277778,3.153212546,1.756944444,3.63125,9.965833333,1.756944444,3.63125,9.965833333,4.16666,0.46296,0,0.03704,0.52319,0.87037,0.42414,0.52319,0.87037,0.09905,0,-0.09905,0,0.53191,0.18238,0,0.44,0.24,0,6.25,0.69444,4.75,0.52778,1.5,0.16667,-3.25,-0.36111,0,0,7.42413,0.8249,10.47473,3.0506,0.33896,3.11904,0.34656,4.16389,1.04485,0.11609,0.25011,0.02779,0.25011,0.02779,0,8.02,2,2,2,2,0,0,0.857142857,1.264672679,1.999307329,3.022286955,3.26184239,3.099436412,3.065165784,29.08747163,45.98406858,69.51259998,75.02237498,71.28703749,70.49881302,0.279574524,0.441976334,0.668121048,0.721078306,0.685176072,0.677600045,3.258889277,2.524254627,1.501275001,1.261719566,1.424125544,1.458396172,0.279574524,0.441976334,0.668121048,0.721078306,0.685176072,0.677600045,11.60803893,20.77103861,23.11864071,22.04345305,23.19639387,19.68333377,32.94327953,20.86971424,18.91330382,20.37286443,18.9227177,19.19280479,9,4.839506173,5.87755102,9,3,4,2.01,1.1693,0.721124785,1.969259364,2.649083346,0,1,1.807204007,0,0.5,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.426,0.519,0.065,3.629,9,7,7,3,2,0,0,0,0,45,2.302585093,2.48490665,2.302585093,2.397895273,1.386294361,1.098612289,0,0,0,0,3.988984047,1.177777778,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.5,7,0.875,0,3,6,1,2.5,0.666666667,0.625,0.16,0.111111111,0,0,0,0,0,0.3125,0.074074074,0.089285714,0.022857143,0.037037037,0,0,0,0,0,0.535753968,23.54410915,35.6176469,47.08821831,5.232024257,23.54410916,0.046214987,0.005134999,-2.767006032,47.54060139,5.282289043,3.475425701,26.3,144.5723458,4.169925001,3.555348061,4.204692619,4.96284463,5.631211782,6.398594935,7.072421901,7.841885929,8.517393171,9.287208816,74.47160184,2.833213344,0,3.970291914,0,5.252273428,0,6.608000625,0,8.002024818,8.292548514,130.0993797,5.656494769,16.49037012,1.832263347,5.289804337,5.289804337,0,102,7,1.946,34,1.233227273,2.115188096,2.859950592,3.57810647,4.615507724,5.472682375,6.450876462,7.346383712,0,0,92.90307534,108.8046927,99.27284563,148.9855652,134.0491608,100.0363423,41.24515657,7.46439602,0,0,281.9160909,324.0377543,356.4989291,473.9634656,622.7253099,574.4461625,462.1679672,228.3531138,0,0,9.447098999,16.12622379,22.08614095,27.22806237,37.05027152,38.22673202,44.58850429,49.3564145,0,0,1.992608666,2.421826948,2.747598008,3.576607375,4.88860835,5.310849711,4.96043552,3.266297002,0,0,179.7781318,337.0500126,478.9841335,591.8323437,756.5519917,899.0997385,1093.431776,1358.476027,0,0,3.478541667,6.183319389,7.443824716,10.92767623,15.52621504,8.549270197,9.578689839,7.346383712,0,0,0.450467386,0.581265167,0.677405706,0.878877953,1.188843211,1.142422085,1.09095687,0.752269692,0,0,367.9442152,282.2127204,10.97186996,180.6065619,-138.5249912,-17.59752621,187.3376532,420.7377117,28.56939618,0.670756894,0.514469639,0.020001558,0.329243106,-0.252529022,-0.032080032,201.8360851,154.8080071,6.018627795,99.07186988,-75.98799157,-9.653136678,0.341180434,0.407879654,1.030047798,3.484784836,510.2179144,38.33286271,0.930119755,0.069880245,648.0661598,25.45714359,8.653791915,783.6846649,27.99436845,9.219636166,1155.641707,33.99473058,10.49400022,1.900322986,1.900322986,754.9550216,685.5224035,116.4729164,1.101284244,6.481807485,5.885680761,4.351879875,4.434143809,8.525339268,0.922657368,3.917833806,5.241522395,3.360635492,12.64540343,5.625422759,3.65252825,3.994113076,6.166988205,3.9315561,3.915726896,3.540564615,2.894140565,3.925124452,3.689146245,1.001376186,1.975447144,3.28E-10,1.11E-41,7.22E-95,9.06E-170,2.20E-266,0,0,0,0,0,0,0,0,0,0.345304163,5.392468551,0.209676682,4.801720145,0.279313333,1.763327266,1.15740353,0.59196315,0.681832426,0.258919721,1.964762736,0.182159479,0.301728508,0.026145387,0.010203895,0.013913236,2.31E-12,7.81E-44,5.08E-97,6.38E-172,1.55E-268,0,0,0,0,0,0,0,0,0,1.067266495,5.111387391,0.6339558,5.132172582,0.721333439,1.860167596,1.421257532,1.296102354,1.056655815,0.657659896,2.25999303,0.584456058,0.699057222,0.27117781,0.081591186,0.144986644,2.41E-11,8.13E-43,5.30E-96,6.65E-171,1.61E-267,0,0,0,0,0,0,0,0,0,3.703230625,5.392084119,3.288852142,13.26929294,5.781574022,3.575928032,4.11321456,6.416696669,3.63418833,4.089124517,3.434747053,2.674598384,3.582214133,3.287074034,0.894377887,1.76008784,2.92E-10,9.87E-42,6.43E-95,8.07E-170,1.96E-266,0,0,0,0,0,0,0,0,0,1.565372702,5.004587329,0.939926646,5.522575027,1.036736009,2.019423755,1.627142204,1.719603581,1.399800704,0.90271064,2.470505341,0.905537195,1.073442028,0.588636277,0.169472775,0.314930364,5.23E-11,1.77E-42,1.15E-95,1.44E-170,3.50E-267,0,0,0,0,0,0,0,0,0,4.731374743,5.337003501,4.500380607,16.11396835,8.131990979,4.392777435,5.108802979,8.364512944,5.157292086,5.473645589,3.942973485,3.767770572,5.332254045,5.379746648,1.450134973,2.881004004,4.79E-10,1.62E-41,1.05E-94,1.32E-169,3.20E-266,0,0,0,0,0,0,0,0,0,2.456710376,5.012080585,1.931761461,14.70380738,4.59638154,2.581780014,3.742139314,6.691401872,1.960913628,2.920955006,2.582787819,1.381781618,1.939775537,1.256049334,0.35469321,0.672200764,1.12E-10,3.77E-42,2.46E-95,3.08E-170,7.47E-267,0,0,0,0,0,0,0,0,0,7.493117801,1.11640873,0.533600632,0.819535556,0.122103599,0.615268898,0.479378754,0.452504507,9.143127163,12.95943092,26.56633128,0.729303334,1.547152159,5.094933119,0.721191447,0.190414475,0.848231084,0.12006772,0.284019576,0.202041007,0.053571745,6.00653904,4.78189649,11.4880987,0.772346625,0.539632328,6.435361913,0.835626243,0.322039017,0.847535741,0.110051791,0.453555429,0.267634133,0.164482622,7.593027173,7.719099175,17.04390961,0.771303612,0.885672185,7.231579351,1.102022753,0.518263768,0.816955369,0.124496097,0.572951779,0.466262456,0.426793543,8.851865872,12.28836901,25.27046801,0.725433054,1.466007778,7.004219292,0.911518782,0.385635575,0.843742203,0.109803368,0.537502054,0.319527128,0.236239767,8.301373649,9.437067639,20.20052291,0.765613305,1.093268949,7.564127835,1.152629429,0.55946113,0.815432271,0.124256392,0.626997325,0.510921091,0.49750101,9.276218394,13.59532322,27.74927976,0.723148407,1.635419426,7.291846624,1.112238494,0.523685481,0.816760079,0.124581885,0.582599906,0.475109903,0.435627406,8.927770599,12.51136987,25.68637243,0.725140119,1.493337215 +UMLYSI0283,L,butyl acetate,CCCCOC(=O)C,saturated esters,C6H12O2,123-86-4,31272,PubChem,,36,0,-0.5943,0.35319249,28.1502,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1500.364299,1093.539141,892.809884,658.269575,471.635182,127.119888,9.144576,3346.887898,3979.09551,4674.696811,4229.393957,3468.224171,2735.992706,1994.669063,1120.963057,279.7536999,152.568096,145.6753,259.36554,290.811108,225.629696,202.915748,133.768576,111.43008,60.466176,23.35516286,28.53615172,35.91568508,33.79709197,28.20421271,22.72114496,16.77380788,10.95324725,4.001516144,3350.680532,2804.677982,5510.452524,6441.739092,4987.659569,4623.723082,2984.992532,2583.794029,1664.258868,90.77777778,54.58333333,100,94.58333333,74.33333333,65.16666667,51.5,39,9,69.4856748,68.35965826,44.12836174,28.77734582,29.76032947,24.38035463,26.20195456,8.4746592,1.016064,167.3443949,209.4260795,137.4910827,111.299841,115.6074724,101.3330632,110.8149479,74.73087045,31.08374443,7.6284048,7.667121053,7.628398235,7.652923895,7.520989867,7.515398074,7.431587556,7.428672,6.718464,1.167758143,1.501902722,1.056343679,0.889397157,0.940140424,0.841523887,0.931878216,0.730216483,0.444612905,167.5340266,147.6146306,162.0721331,169.5194498,166.255319,171.2490031,165.8329184,172.2529352,184.917652,4.538888889,2.872807018,2.941176471,2.489035088,2.477777778,2.413580247,2.861111111,2.6,1,0.263471322,-0.1595639,0.081759253,-0.050728747,-0.003630118,-0.00962487,0.021262404,-0.018112694,0.006903012,715.056216,-13.739645,42.068427,-154.431627,-119.176036,-36.355609,-96.096818,-187.1568,207.36,931.2646053,-148.2416011,-210.4695091,25.37537669,-155.2107675,107.2342175,-152.1352724,-196.0622248,263.877478,1.9334688,0.00145024,0.75963024,-0.78358752,-0.3222448,-0.41465248,-0.13838432,-0.2779776,0.20903184,4.097118945,-1.072153629,-1.377869305,0.629194129,-0.682853157,0.777756017,-0.675710977,-0.537017433,0.890094883,23.01673804,-6.548761719,-7.89227958,3.964362048,-3.836123006,4.554831377,-3.721214278,-2.432661993,4.403478133,37.42222222,-0.895555556,14.03222222,-11.47444444,-5.7,-6.536666667,-2.563333333,-9.183333333,3.61,0.013173566,-0.0083981,0.002404684,-0.001334967,-1.21E-04,-3.56E-04,0.001181245,-0.001207513,7.67E-04,35.7528108,-0.723139211,1.237306676,-4.063990184,-3.972534533,-1.346504037,-5.338712111,-12.47712,23.04,46.56323026,-7.80218953,-6.190279679,0.667773071,-5.173692252,3.971637685,-8.451959578,-13.07081499,29.31971978,0.09667344,7.63E-05,0.022342066,-0.020620724,-0.010741493,-0.015357499,-0.007688018,-0.01853184,0.02322576,0.204855947,-0.056429138,-0.040525568,0.01655774,-0.022761772,0.028805778,-0.037539499,-0.035801162,0.098899431,1.150836902,-0.344671669,-0.23212587,0.104325317,-0.127870767,0.168697458,-0.206734127,-0.162177466,0.489275348,1.871111111,-0.047134503,0.412712418,-0.301959064,-0.19,-0.242098765,-0.142407407,-0.612222222,0.401111111,-0.637496327,0.182538569,-0.1013368,-0.009185359,-0.027059998,0.089667799,-0.091661814,0.058222759,-0.02022608,0.034607256,-0.11366911,-0.111111111,-0.037661488,-0.149322864,-0.348982911,0.644424857,-0.167561174,-0.132943519,0.01434121,-0.111111111,0.085295579,-0.181515748,-0.280711087,0.629675382,7.90E-04,0.231108626,-0.213302891,-0.111111111,-0.158859551,-0.079525646,-0.191695258,0.240249649,-0.275457653,-0.197824707,0.080826261,-0.111111111,0.140614802,-0.183248274,-0.174762621,0.482775496,-0.299496539,-0.201701796,0.090651696,-0.111111111,0.146586765,-0.179638076,-0.140921329,0.425147427,-0.025190649,0.22057077,-0.161379547,-0.101543943,-0.129387701,-0.076108472,-0.32719715,0.214370546,1.614770191,0.88688163,1.215119583,0.971888758,1.073202003,0.817645177,0.673700192,0.003845996,1.04922138,0.951186959,1.105288984,1.055555556,0.977734979,1.058345506,1.240515037,0,1.505949528,1.1618184,0.862503782,1.055555556,0.766062269,1.134803606,1.088878456,0,0.713221749,0.738250888,1.413593537,1.055555556,1.206469334,0.892577113,1.154931696,0,1.749688453,1.254801494,0.776384745,1.055555556,0.677559111,1.138918354,0.941917017,0,1.787392882,1.264308948,0.773970285,1.055555556,0.670008885,1.130344134,0.902603949,0,0.583432304,0.465617141,1.193586698,1.046466746,1.175277118,1.425611144,1.929334917,0,34.50014801,17.500074,27.93741811,34.87514801,4.359393501,17.5000741,0.5,0.18607285,0.023259106,-1.345293613,41.62163315,5.202704143,2.982896048,34.51364406,17.50608761,27.94750404,34.88754243,4.360942803,17.5060877,0.498531158,0.185850434,0.023231304,-1.346250439,41.74045697,5.217557121,2.98517668,46.52825888,22.86513496,37.3041145,45.92976716,5.741220895,22.86513496,-0.797988956,0.044440943,0.005555118,-2.490875276,27.85083888,3.48135486,2.66149047,34.5278086,17.5123991,27.95809097,34.9005508,4.362568849,17.51239919,0.4969896,0.18561719,0.023202149,-1.347255077,41.86680104,5.23335013,2.98759454,59.33203958,28.58372553,47.69962126,57.70859819,7.213574773,28.58372553,-2.164588529,0.031846802,0.00398085,-2.75745465,26.55665637,3.319582047,2.623424342,35.91442872,18.13034855,29.00125913,36.17413,4.52176625,18.13034859,0.346268372,0.163702022,0.020462753,-1.447765953,94.39914485,11.79989311,3.638025611,33.51626502,17.03992162,27.81795691,34.10316978,4.262896222,17.03992181,1.173809524,0.329501074,0.041187634,-0.888140533,26.038756,3.2548445,2.607668835,0,11.89,15.99591765,-0.31586015,0.301592178,3.682449468,6.502824698,7,19,18,18,6,1,1,0,0,1,15.992484,3.500630443,3.250120499,2.714895856,2.141477353,1.917060997,1.332129405,0.948258328,0.083923071,1.821305047,1.569929961,1.371148277,0.906015277,0.595941221,0.456559797,0.083923071,0.083923071,3.417552268,3.192262627,2.725476731,2.092255199,1.868778465,1.379458315,0.603774058,0.270913902,1.780485008,1.574600976,1.289549175,0.829987484,0.601206544,0.419560757,0.270913902,0.270913902,3.602695513,3.393823465,2.963492019,2.454301051,2.244300135,1.840352289,1.22636372,0.943918427,1.563920922,1.317994844,0.980116579,0.409179076,0.172888313,0.099689239,0.943918427,0.943918427,3.421095,3.17469022,2.75326062,2.103666874,1.879646004,1.450770231,0.459589502,0.399277246,1.766306475,1.572972777,1.236896556,0.790655613,0.592160761,0.326861,0.399277246,0.399277246,3.637317587,3.430233647,3.056783369,2.550498221,2.34400438,2.023192543,1.208936353,1.207644823,1.513561485,1.284205674,0.888020188,0.303971082,0.086507277,0.282295867,1.207644823,1.207644823,4.861486978,3.463495406,3.097686348,2.797756057,2.362714722,1.756646356,1.451447193,0.590163934,1.683714577,1.233045469,1.095116549,0.567908076,0.202127915,0.13822051,0.590163934,0.590163934,0,0,1,0,0,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.083333333,0,0,0,0.288675135,0.204124145,0.144337567,0.058925565,0.041666667,0.029462783,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,5.437816924,2.904030206,1.693596727,0.803216163,0.36023509,0.17380035,0.101631566,0,0.679727116,0.414861458,0.24194239,0.160643233,0.090058773,0.05793345,0.050815783,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.3496,31.541,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.73967971,-0.181990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.51231576,0.5125,0,0,0,0,0,0,0,0,0,0,3.485273998,0,2.623703704,0,0,0,0,0,0,-0.181990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.09634637,4.643333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.643333333,-0.181990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.272454649,0.5125,0,0,0,0,0,0,0,0,0,0,1.42625,0,0.575231481,0,0,0,0,0,0,-0.181990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.09634637,4.643333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.09634637,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,2.059023998,0,1.076666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.09634637,4.643333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.66666667,2.583333333,0.644975907,10.09634637,0.265555556,-0.181990741,2.795924247,1.848657407,3.096346372,8.597407407,1.848657407,3.096346372,8.597407407,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.36364,0.13636,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,5.67104,0.70888,8.40872,2.73768,0.34221,2.65409,0.33176,3.77005,1.11596,0.1395,0.14395,0.01799,0.14395,0.01799,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,2.070950594,3.346439345,3.546439345,3.546439345,3.33034294,25.90923688,41.41901189,66.92878689,70.92878689,70.92878689,66.6068588,0.299741647,0.479172848,0.774293156,0.820568799,0.820568799,0.770568799,3.026466251,2.2509775,0.97548875,0.77548875,0.77548875,0.991585155,0.299741647,0.479172848,0.774293156,0.820568799,0.820568799,0.770568799,12.01211119,21.71746765,24.10215464,24.30371965,24.30371965,21.71056279,29.38046565,17.93632218,16.22221018,15.69343894,15.69343894,14.39686051,8,5.142857143,7.2,8,3,4,1.9,1.0284,0.166666667,2.249576847,0.894427191,0,2.381101578,1.040041912,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,3.358,7,5,4,3,2,0,0,0,0,36,2.197224577,2.302585093,1.945910149,1.791759469,1.609437912,1.386294361,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,26.3,127.2763612,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,116.0837296,5.804186481,14.66595917,1.833244896,5.216499833,5.216499833,0,79,5,1.591,28,1.230631579,2.107918638,2.853134227,3.653882031,4.795544934,5.791635925,6.965917857,7.802462487,0,0,94.58963281,102.4202046,93.08542556,129.2091942,130.5922439,168.5364061,60.43670856,7.927801245,0,0,279.0386343,309.1169811,342.8944298,473.8583665,524.7238099,693.1158109,534.6753242,242.5297499,0,0,9.500427541,16.20331326,21.89434951,27.60499927,36.18808614,42.9893138,51.67451113,52.42056333,0,0,1.953218228,2.32659121,2.676717754,3.746180655,4.266250977,5.749000252,5.217158362,3.469075511,0,0,180.0610686,338.5646481,480.5209183,596.6441771,815.1385625,947.475228,1193.44104,1442.813043,0,0,3.636017544,6.534565569,7.21519877,9.181540495,11.75277701,16.64968367,17.97858853,7.802462487,0,0,0.448387105,0.565067128,0.656599323,0.896429878,1.031118231,1.349466149,1.261537936,0.798972159,0,0,368.5735154,269.1589328,13.11073224,178.9509508,-130.6828758,-20.90325156,189.6225647,399.8418086,34.01398381,0.673163554,0.491592521,0.023945473,0.326836446,-0.238679518,-0.038177749,201.8030173,147.371101,7.178446674,97.9800238,-71.55207181,-11.44504165,0.35372805,0.432473349,3.203789809,3.76880309,490.5942831,56.9301831,0.896022577,0.103977423,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,950.3028124,30.82698189,9.831520102,2.061351231,2.061351231,726.0954081,669.3967886,73.42801577,1.084701063,9.888533695,9.116367664,4.221732772,4.466158665,8.529789551,0.90987159,3.360032699,4.293028381,3.358213502,13.95267678,5.337512191,1.4668465,4.780520974,6.791104618,1.499396077,2.959560315,2.860596092,1.474822786,1.556683321,3.682205535,0.042739644,1.946808283,5.00E-10,2.63E-41,2.68E-94,5.24E-169,1.98E-265,0,0,0,0,0,0,0,0,0,0.298491782,4.443993512,0.305851083,5.050066213,0.242949038,1.325449919,1.705210947,0.489461561,0.256847795,0.230835515,2.014191352,0.105201593,0.225186518,0.02601786,0.003584233,0.01371153,3.52E-12,1.85E-43,1.88E-96,3.69E-171,1.40E-267,0,0,0,0,0,0,0,0,0,0.91615042,4.162911006,0.702620295,4.782310664,0.630424497,1.33322088,1.558605959,1.221075909,0.300435373,0.469342688,2.181740782,0.290747713,0.340402237,0.270466581,0.011572061,0.142884713,3.67E-11,1.93E-42,1.96E-95,3.85E-170,1.45E-266,0,0,0,0,0,0,0,0,0,3.176711882,4.44359216,3.657124959,14.11479787,5.465591539,1.466449582,5.499890736,6.669290253,1.451348308,3.347041315,2.807310324,1.471983848,1.461770294,3.280835917,0.040340941,1.734571131,4.45E-10,2.35E-41,2.38E-94,4.67E-169,1.77E-265,0,0,0,0,0,0,0,0,0,1.342655413,4.056109269,0.901783862,5.162670851,0.920066577,1.343459173,1.538245683,1.771328398,0.390809739,0.558472177,2.298327498,0.4177826,0.455337269,0.587284735,0.017056828,0.310364691,7.97E-11,4.20E-42,4.27E-95,8.36E-170,3.16E-266,0,0,0,0,0,0,0,0,0,4.057749124,4.38850086,4.574267035,18.32275477,7.781645779,1.525635399,6.34198771,9.287309528,2.04425206,4.294955111,3.060892419,1.971950235,2.137275882,5.369880395,0.05162282,2.839236917,7.29E-10,3.84E-41,3.90E-94,7.65E-169,2.89E-265,0,0,0,0,0,0,0,0,0,2.093644735,4.477232829,2.900511373,16.02163727,3.696245843,1.377734061,7.035654087,5.519217841,1.160750809,2.729436661,2.661059819,1.348778181,1.058098963,1.282864034,0.029760058,0.678060611,1.74E-10,9.17E-42,9.32E-95,1.83E-169,6.90E-266,0,0,0,0,0,0,0,0,0,7.373998833,0.81450762,0.414987615,0.857093499,0.094671724,0.567195166,0.484713935,0.499981437,8.603494067,9.404307002,20.50029065,0.785640248,1.551890538,6.001986767,0.580757656,0.072022644,0.901907866,0.087269419,0.384761524,0.225879396,0.015059888,6.654767067,3.959806425,10.86562281,0.8528618,0.625700807,6.672986432,0.613460714,0.210524282,0.890090952,0.081827805,0.466313652,0.27735114,0.128673169,7.496971428,5.627589072,13.98636586,0.835136427,0.872337961,7.237144103,0.826795896,0.391942828,0.855870907,0.097777596,0.547041793,0.502979387,0.445994038,8.455882827,9.144244493,19.94537251,0.78380636,1.496015218,6.99501676,0.63818221,0.281990891,0.883745922,0.08062753,0.510685567,0.298771665,0.230862698,7.91518986,6.616587827,15.79061188,0.825618883,1.04031993,7.43323504,0.847294052,0.437491478,0.852628757,0.097188811,0.576332855,0.524427695,0.555677491,8.718020569,9.920796747,21.39419807,0.778943135,1.656438041,7.313177127,0.840097406,0.395511045,0.855463862,0.098270965,0.558779481,0.519745651,0.454151592,8.548785578,9.368491264,20.34721014,0.783195793,1.532676724 +UMLYSI0284,L,n-heptane,CCCCCCC,linear alkanes,C7H16,142-82-5,8900,PubChem,,36,0,-1.3374,1.78863876,26.3554,22.988688,0,0,23,7,16,0,7,0,0,0,0,0,0,0,0,0,1026.105871,1059.298134,1047.281597,871.862212,675.105483,478.348754,281.592025,84.835296,9.144576,3461.958223,4376.887272,5442.657723,5088.618011,4081.819666,3075.021321,2068.222976,1061.424631,279.7536999,160.279036,159.125208,296.664116,374.86696,311.98206,249.09716,186.21226,123.32736,60.466176,26.63610648,34.55010896,47.78739401,48.10273616,39.0812073,30.05967844,21.03814958,12.01662072,4.001516144,3846.242925,3210.7269,6649.252193,9053.567731,7574.612576,6095.657421,4616.702266,3137.747111,1664.258868,35.25,42,64.75,73.5,61.25,49,37,24,9,44.61329874,48.14991518,24.93527612,16.14559652,15.00234407,13.28746539,10.42933426,4.713072,1.016064,150.5199227,198.9494215,129.5870886,94.23366687,90.70710369,85.41725893,76.60085098,58.96803508,31.08374443,6.968653739,7.232964,7.063431333,6.941980741,6.932934667,6.919365556,6.89675037,6.85152,6.718464,1.158091586,1.570459498,1.137795096,0.89079141,0.868471273,0.834991068,0.779190725,0.66759004,0.444612905,167.2279533,145.9421318,158.3155284,167.6586617,168.3247239,169.3238172,170.9889728,174.3192839,184.917652,1.532608696,1.909090909,1.541666667,1.361111111,1.361111111,1.361111111,1.37037037,1.333333333,1,0.033165437,-0.004413881,-0.01485432,-9.76E-05,1.04E-05,4.11E-05,-2.27E-04,-0.001768116,0.004726855,589.5388264,-58.58770946,-250.1420564,-15.56236033,-16.47779329,-17.39322625,-18.30865921,-19.22409217,100.9264839,1096.272622,-108.9463475,-465.1498353,-28.93887356,-30.64116024,-32.34344692,-34.0457336,-35.74802028,187.6771065,0.115486609,-0.01147693,-0.049001112,-0.00304856,-0.003227887,-0.003407214,-0.003586541,-0.003765868,0.019770805,4.900848691,-0.487040864,-2.079436188,-0.129370229,-0.136980243,-0.144590256,-0.15220027,-0.159810283,0.839003988,26.62148787,-2.645613702,-11.29553038,-0.70274114,-0.744078854,-0.785416568,-0.826754282,-0.868091996,4.557482978,2.369565217,-0.679584121,-0.75094518,0.04536862,0.037807183,0.030245747,0.27268431,-0.484877127,0.344517958,0.001441976,-2.01E-04,-3.54E-04,-1.81E-06,2.31E-07,1.14E-06,-8.41E-06,-9.82E-05,5.25E-04,25.63212289,-2.663077703,-5.955763248,-0.288191858,-0.366173184,-0.483145173,-0.678098489,-1.06800512,11.21405376,47.66402704,-4.952106706,-11.07499608,-0.535905066,-0.680914672,-0.898429081,-1.260953096,-1.986001127,20.85301183,0.005021157,-5.22E-04,-0.001166693,-5.65E-05,-7.17E-05,-9.46E-05,-1.33E-04,-2.09E-04,0.002196756,0.213080378,-0.022138221,-0.049510385,-0.002395745,-0.003044005,-0.004016396,-0.005637047,-0.008878349,0.093222665,1.157455995,-0.120255168,-0.268941199,-0.013013725,-0.016535086,-0.021817127,-0.030620529,-0.048227333,0.506386998,0.103024575,-0.030890187,-0.017879647,8.40E-04,8.40E-04,8.40E-04,0.010099419,-0.026937618,0.038279773,-0.139136174,-0.245270661,-0.001253869,1.60E-04,7.92E-04,-0.005833771,-0.068120906,0.364226813,-0.103896104,-0.232355442,-0.011243386,-0.014285714,-0.018849206,-0.026455026,-0.041666667,0.4375,-0.103896104,-0.232355442,-0.011243386,-0.014285714,-0.018849206,-0.026455026,-0.041666667,0.4375,-0.103896104,-0.232355442,-0.011243386,-0.014285714,-0.018849206,-0.026455026,-0.041666667,0.4375,-0.103896104,-0.232355442,-0.011243386,-0.014285714,-0.018849206,-0.026455026,-0.041666667,0.4375,-0.103896104,-0.232355442,-0.011243386,-0.014285714,-0.018849206,-0.026455026,-0.041666667,0.4375,-0.299833194,-0.173547401,0.008154944,0.008154944,0.008154944,0.098029222,-0.26146789,0.371559633,1.677769697,1.366325958,0.894779892,0.887272769,0.877345483,0.866368597,0.860088788,0,1.642857143,1.398384354,0.920304233,0.903571429,0.878472222,0.836640212,0.75297619,0,1.642857143,1.398384354,0.920304233,0.903571429,0.878472222,0.836640212,0.75297619,0,1.642857143,1.398384354,0.920304233,0.903571429,0.878472222,0.836640212,0.75297619,0,1.642857143,1.398384354,0.920304233,0.903571429,0.878472222,0.836640212,0.75297619,0,1.642857143,1.398384354,0.920304233,0.903571429,0.878472222,0.836640212,0.75297619,0,1.899082569,1.105286151,0.773700306,0.825280326,0.902650357,0.945633707,1.547400612,0,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,33.2507646,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,7.11E-15,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,37.65866569,18.76980904,30.52110988,37.57363168,5.367661669,18.76980906,-0.119047619,0,0,0,2000010.429,285715.7756,10.15606407,0,11.89,12.11009426,-0.170505143,0.049799553,5.07776577,7.013266965,6,22,22,22,6,0,0,0,0,0,17.491312,3.46525469,3.158726067,2.704532478,2.18392002,1.697255367,1.33214981,1.12257211,0.083923071,1.904635069,1.708882991,1.416594417,1.091617933,0.812004896,0.62252576,0.520687981,0.083923071,3.495528058,3.197240258,2.75626044,2.253323613,1.787626596,1.442861713,1.247239295,0.270913902,1.841598162,1.631733601,1.320892568,0.975709625,0.676946685,0.473240653,0.363561368,0.270913902,3.627546596,3.364701014,2.978659738,2.546003084,2.15897414,1.884943921,1.734531854,0.943918427,1.65367868,1.397661851,1.021801198,0.601565151,0.227675426,0.035334264,0.179116682,0.943918427,3.517773193,3.225530555,2.794149646,2.303876515,1.852911093,1.522049418,1.335706358,0.399277246,1.801239377,1.581957035,1.258390945,0.899064477,0.586652857,0.37260324,0.257148129,0.399277246,3.691164299,3.444790866,3.083065776,2.679762813,2.323440621,2.074844725,1.939585081,1.207644823,1.594270913,1.322620074,0.923248485,0.474040332,0.069155742,0.220196471,0.379998654,1.207644823,3.521026622,3.299285969,2.904733882,2.41404363,1.958983634,1.637300666,1.463136585,0.608695652,1.780694793,1.496988767,1.127308204,0.758536836,0.446581942,0.225539445,0.101991436,0.608695652,0,0,0,0,0,2,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,11.33462243,22.10269483,20.80392157,21.08,13.38843593,177.4833461,0.492809671,0.960986732,0.904518329,0.916521739,0.58210591,7.716667222,2.9767,34.433,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.4,0,0,0,0,0,0,0,0,0,0,0,4.491388889,0,7.008611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.245694444,0,1.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.245694444,0,1.4375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.5,1.642857143,0.2,2.245694444,0.2,1.361111111,5.318430556,0.138888889,0.245694444,0.982777778,0.138888889,0.245694444,0.982777778,3.5,0.5,0,0,0.42174,0.7,0.42174,0.42174,0.7,0,0,0,0,0.71429,0,0,0.28571,0,0,3,0.42857,3,0.42857,0,0,-3,-0.42857,0,0,6.60412,0.94345,6.60412,0,0,3.41421,0.48774,3.41421,0,0,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6,0,0,0,0,0,0,1,0.886540893,1.149229762,2.024260067,2.392277173,1.970124741,1.487625831,20.39044053,26.43228451,46.55798153,55.02237498,45.31286904,34.21539412,0.195982923,0.254054166,0.447492504,0.528848106,0.435525093,0.328861602,3.637021063,3.374332195,2.499301889,2.131284783,2.553437215,3.035936125,0.19880132,0.257707677,0.453927819,0.536453382,0.441788306,0.333590905,6.634953582,9.787220006,12.98928415,12.76511603,9.706424984,9.691482087,27.76507516,23.86271421,22.5116657,23.21412863,26.97884693,20.92601136,7,6,6,7,0,7,2.23,1.0949,0.166666667,3.838519496,0,0,5.676240019,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,3.267,5,4,3,2,1,0,0,0,0,28,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.666666667,6,1,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,0,129.6283511,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,100.1252005,4.353269587,12.83378878,1.833398397,0,0,0,56,4,4.323,22,1.224818182,2.112194041,2.841335948,3.57056513,4.901353848,5.894083671,7.18179224,8.149714457,0,0,69.72220731,59.4034463,56.14714166,69.68256275,77.4135141,72.63702886,36.17614296,8.28063147,0,0,268.787596,293.8125543,294.6988841,381.0530723,458.6594575,495.7779935,441.0536558,253.3236414,0,0,8.893455721,14.96836856,19.77594354,24.92903541,34.02469501,40.80037509,49.28997252,54.75356319,0,0,2.059771149,2.528547342,2.688241382,3.483879659,4.351666613,4.900679746,4.934891604,3.623468219,0,0,176.6115071,330.8158767,472.8171045,587.799899,821.6825129,996.274231,1245.251567,1507.026062,0,0,2.404363636,3.343460118,3.971212193,5.170836748,6.894778863,8.422072308,9.785607939,8.149714457,0,0,0.427911136,0.536688141,0.577785236,0.748373511,0.941058902,1.066458971,1.093700566,0.83453076,0,0,403.8379912,161.7305232,9.914490227,160.4510197,-64.25801421,-9.619009784,243.3869714,225.9885374,19.53350001,0.715658082,0.286609379,0.01756988,0.284341918,-0.113874297,-0.017046247,227.8813406,91.26275698,5.594637884,90.54074723,-36.26009128,-5.427901517,0.065916805,0.162717927,1.184070371,10.80765182,564.2890109,0,1,0,372.4894149,19.29998484,7.195118958,527.4819922,22.96697612,8.079836002,555.455313,23.56809948,8.220212446,2.458826014,2.458826014,681.77975,661.1727766,43.99483578,1.031167305,15.49681316,15.02841788,4.121686851,4.466158665,8.836778877,0.978608361,4.462408855,5.691183974,2.410082022,20.92741689,9.491973299,0.143514454,3.567246355,8.617290698,8.492784039,1.178950372,2.189116413,7.561028204,4.322884441,0.860264763,2.474850258,0.241081057,0.13932911,1.58E-19,3.45E-59,1.45E-120,1.18E-203,0.00E+00,0,0,0,0,0,0,0,0,0.374499053,5.690851875,0.1631294,5.10903895,0.069892868,0.001194782,0.522969464,0.335029777,3.085440249,0.045373355,0.018276572,0.341267531,0.148779883,0.859561027,0.112752628,0.00169802,9.81E-04,1.11E-21,2.43E-61,1.02E-122,8.31E-206,1.3023122084905E-310,0,0,0,0,0,0,0,0,1.208928595,5.690874696,0.552386831,6.296414229,0.704467803,0.010905081,1.144317192,1.33728646,3.840405446,0.181768058,0.166693326,1.269832107,0.621296789,0.859696005,0.426540802,0.017694156,0.010225968,1.16E-20,2.53E-60,1.07E-121,8.66E-205,0.00E+00,0,0,0,0,0,0,0,0,4.212149946,5.691147735,2.24797607,19.23681457,8.459270626,0.127959831,3.380858771,7.866748499,8.038360349,1.075948388,1.951964785,6.926186272,3.933091809,0.860218614,2.270681911,0.214798927,0.124139729,1.41E-19,3.07E-59,1.29E-120,1.05E-203,0.00E+00,0,0,0,0,0,0,0,0,1.781738316,5.690903714,0.840204222,7.717671634,1.522717158,0.023313396,1.570868987,2.229683483,4.462228045,0.303603996,0.356078693,2.069126671,1.058348264,0.859791238,0.691937989,0.038433908,0.02221217,2.52E-20,5.49E-60,2.31E-121,1.88E-204,0.00E+00,0,0,0,0,0,0,0,0,5.389004952,5.691336212,3.038161082,28.00697447,13.83323495,0.208874705,4.257377412,11.67269582,10.31541047,1.598476551,3.185555154,10.13053264,5.918549787,0.860439114,3.298422411,0.351593848,0.203198412,2.30E-19,5.03E-59,2.12E-120,1.72E-203,2.70E-308,0,0,0,0,0,0,0,0,2.790059979,5.271422266,1.29341061,10.77414828,3.524579563,0.053505869,2.220055489,3.853858754,5.833898592,0.526139591,0.816636886,4.126991507,1.890031116,1.274359293,1.376346639,0.089323358,0.051622884,5.85E-20,1.28E-59,5.38E-121,4.37E-204,0.00E+00,0,0,0,0,0,0,0,0,7.486988036,0.764237729,0.504484187,0.855097768,0.087284496,0.561084185,0.570990352,0.608676381,8.755709952,9.884451656,21.52673877,0.782646652,1.740750917,6.486479406,0.323050456,0.116720337,0.936506655,0.046641465,0.421145182,0.102026394,0.0325825,6.926250199,2.890270753,10.06110377,0.904759983,0.555754076,6.900889174,0.505789825,0.277331773,0.898084266,0.065823675,0.476676624,0.250099025,0.183946102,7.684010772,5.544506943,14.1965164,0.847126399,0.91072175,7.463868768,0.754042988,0.495523928,0.856593087,0.086537964,0.557624361,0.55585822,0.587246714,8.713435684,9.700249819,21.20253277,0.78488963,1.700729296,7.078157472,0.583958583,0.346035065,0.883869119,0.072920525,0.501480661,0.333377214,0.28637266,8.00815112,6.784711634,16.22314707,0.825803678,1.121230536,7.558866057,0.795933276,0.532341716,0.850539675,0.089560104,0.571909155,0.619334317,0.677754382,8.887141048,10.46396123,22.55385797,0.775809512,1.868997853,7.493406288,0.755152712,0.496709602,0.856852617,0.086349859,0.56204658,0.557495536,0.590060367,8.745268601,9.755804536,21.31178691,0.785278926,1.709602483 +UMLYSI0285,L,3-octanone,CCCCCC(=O)CC,saturated alkanone,C8H16O,106-68-3,246728,PubChem,,36,0,-0.9556,0.91317136,34.9766,25.550688,0,0,25,9,16,0,8,0,1,0,0,0,0,0,0,0,1426.337993,1395.726244,1575.873696,1460.898023,1110.286345,871.245024,674.488295,323.876617,84.835296,4101.865902,5103.133676,6471.633629,6321.313462,5261.104989,4194.768219,3187.969874,2127.761402,1061.424631,181.171268,176.699608,324.2724,413.48606,350.83678,299.84916,236.96426,174.31498,123.32736,30.06821048,38.67834896,53.25497401,53.93093648,45.44269842,37.48454303,28.46301417,19.97477611,12.01662072,4158.488567,3490.864584,7082.733206,9488.115242,7977.410827,7052.408754,5573.453599,4062.749184,3137.747111,87.02777778,56.41666667,89.25,124.3333333,106.5833333,79.41666667,69.5,52,24,57.05351972,58.15526017,35.01941547,25.62978988,23.13096552,20.74392914,20.43903924,13.49485904,4.713072,164.0746361,212.6305698,143.8140806,110.9002362,109.6063539,99.87543379,96.6051477,88.65672507,58.96803508,7.24685072,7.362483667,7.206053333,7.254141404,7.309099583,7.139265714,7.180735152,7.263124167,6.85152,1.202728419,1.611597873,1.183443867,0.94615678,0.946722884,0.89248912,0.862515581,0.832282338,0.66759004,166.3395427,145.452691,157.3940712,166.4581621,166.1960589,167.9144941,168.8925333,169.281216,174.3192839,3.481111111,2.350694444,1.983333333,2.18128655,2.220486111,1.890873016,2.106060606,2.166666667,1.333333333,0.135125872,-0.046033509,-0.010007142,0.004396202,-0.02156101,0.004048623,0.01770423,-0.020771416,-1.98E-04,768.774544,-47.36742976,-116.743805,-9.11156928,-221.2428415,13.16459792,11.31826048,-200.8130118,33.59442768,1217.082179,-96.77620442,-369.1454128,2.419232942,-212.4130985,9.021139293,8.775099681,-206.0572317,15.37700603,1.10707456,-0.003873818,0.088147552,-0.139539917,-0.331927795,-0.029029581,-0.043738419,-0.236126298,0.066771917,5.405687815,-0.45802099,-2.082524045,-0.021890935,-0.485584314,-0.034068504,-0.034639879,-0.498333257,-0.046817448,29.76971422,-2.530394954,-12.02528539,-0.244443071,-1.955370101,-0.332610272,-0.34180297,-2.05273,-0.429970171,34.70666667,-0.4084,1.148,-3.0312,-9.960133333,-1.943866667,0.4072,-6.271733333,0.9112,0.005405035,-0.001918063,-2.22E-04,7.71E-05,-4.49E-04,9.64E-05,5.36E-04,-8.65E-04,-1.10E-05,30.75098176,-1.973642907,-2.594306778,-0.159852093,-4.609225865,0.313442808,0.34297759,-8.367208823,1.866357093,48.68328717,-4.032341851,-8.203231395,0.042442683,-4.425272885,0.214789031,0.265912112,-8.585717988,0.854278113,0.044282982,-1.61E-04,0.001958834,-0.002448069,-0.006915162,-6.91E-04,-0.001325407,-0.009838596,0.003709551,0.216227513,-0.019084208,-0.046278312,-3.84E-04,-0.01011634,-8.11E-04,-0.001049693,-0.020763886,-0.002600969,1.190788569,-0.105433123,-0.267228564,-0.004288475,-0.040736877,-0.007919292,-0.010357666,-0.085530417,-0.023887232,1.388266667,-0.017016667,0.025511111,-0.053178947,-0.207502778,-0.04628254,0.012339394,-0.261322222,0.050622222,-0.354865961,-0.041143292,0.014269354,-0.083105422,0.017834442,0.09925779,-0.160123975,-0.002036149,-0.06418146,-0.084365007,-0.005198276,-0.149888739,0.010192937,0.011153387,-0.272095665,0.060692602,-0.082828052,-0.168502003,8.72E-04,-0.090899221,0.004411966,0.005462082,-0.176358633,0.017547667,-0.003644946,0.044234475,-0.055282381,-0.156158461,-0.015608264,-0.029930383,-0.222175545,0.083769221,-0.08825985,-0.214026011,-0.001776145,-0.046785628,-0.003751395,-0.004854578,-0.096027954,-0.012028855,-0.088540591,-0.224413108,-0.003601374,-0.03421,-0.00665046,-0.008698157,-0.071826703,-0.020060011,-0.012257491,0.018376233,-0.038306003,-0.149468962,-0.033338364,0.008888346,-0.18823633,0.036464336,1.14632446,0.814828174,1.167567994,1.356992914,0.854785623,0.96272909,1.355029359,0.219000041,1.27017752,1.102889283,0.984254292,1.157971071,0.892857143,0.907302965,1.225879777,0.629916846,1.493936626,1.297575507,0.926372508,1.017645589,0.892857143,0.867311915,1.027710354,0.739892235,0.543739349,0.545713079,1.270690053,1.566742713,0.892857143,1.105204037,1.635252101,0.085688899,1.559118204,1.365173393,0.923834178,0.969965113,0.892857143,0.865558159,0.935966522,0.744715063,1.562487086,1.372828765,0.92917878,0.964899765,0.892857143,0.869250793,0.918219768,0.734560318,0.540242028,0.546804969,1.260185616,1.578707261,0.905548543,1.074808787,1.635132539,0.115251633,48.4552188,24.3526094,38.54372715,48.64966324,5.405518138,24.3526094,0.25,0.124971217,0.013885691,-1.871704652,36.98008269,4.108898077,3.249341516,48.4570128,24.35313919,38.54434413,48.65088603,5.405654003,24.35313919,0.249265579,0.124956505,0.013884056,-1.871810603,36.98025526,4.108917251,3.249345716,50.06121006,24.83110779,39.10693888,49.75088102,5.527875669,24.83110779,-0.398994478,0.111246468,0.012360719,-1.976406395,37.19465193,4.132739103,3.254548487,48.45889567,24.35369524,38.5449917,48.65216941,5.405796601,24.35369524,0.2484948,0.124941064,0.01388234,-1.871921825,36.98043651,4.10893739,3.249350127,51.79189444,25.35480009,39.73957841,50.95011001,5.661123334,25.35480009,-1.082294264,0.094903818,0.010544869,-2.119402204,37.60414647,4.178238496,3.26440289,48.6432846,24.40820939,38.60855131,48.77794452,5.419771614,24.40820939,0.173134186,0.123422235,0.013713582,-1.882929596,36.99890213,4.110989126,3.249799416,53.21768206,26.63442277,42.84985469,53.5762579,5.952917544,26.63442277,0.645436508,0.1634505,0.018161167,-1.630120579,35.67804789,3.964227543,3.217082035,0,11.89,15.99491664,-0.299208232,0.132446689,4.390323186,7.331459201,8,24,23,23,7,1,1,0,0,1,18.449312,3.573114704,3.289309248,2.857720418,2.548844659,2.052221044,1.570060573,1.506254024,1.167578417,1.892419273,1.728031399,1.504211083,1.161799925,0.899077511,0.725107911,0.550081834,0.184883685,3.546932946,3.295855275,2.903025958,2.513573345,2.060591691,1.647158962,1.478924501,1.272333787,1.849567225,1.675426455,1.417035207,1.09139705,0.801034553,0.586111251,0.407169029,0.279459278,3.681739427,3.454519182,3.104590753,2.78008607,2.387959381,2.046409364,1.930126158,1.755381653,1.670261348,1.458596388,1.14240207,0.761574753,0.397943559,0.113963029,0.108285905,0.233735025,3.553600211,3.311287268,2.936760869,2.529535098,2.093474156,1.715504163,1.495703649,1.341294308,1.826376049,1.641531316,1.360242764,1.05172228,0.739657269,0.493582101,0.338704546,0.250163157,3.722422744,3.515352858,3.1990664,2.860540355,2.506308772,2.21715514,2.050254415,1.940557172,1.626372516,1.400191967,1.053389036,0.675168394,0.27878395,0.053017744,0.252068694,0.380061402,4.944382608,3.4508821,3.196307268,3.006780244,2.421745923,2.024387112,1.808755839,1.506041573,1.757962153,1.501792777,1.24917203,0.834521102,0.523841198,0.352390939,0.138703453,0.5054301,0,0,0,1,0,2,5,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.102062073,0,0,0,0.49279928,0.348461713,0.24639964,0.174230856,0.12319982,0.087115428,7.112884175,4.308060412,3.009201922,1.997400241,0.946923425,0.535074775,0.348461713,0.102062073,0.790320464,0.538507552,0.37615024,0.285342892,0.189384685,0.133768694,0.116153904,0.102062073,6.443782196,3.825444489,2.349335306,1.453506421,0.748945479,0.389419384,0.227807732,0.088388348,0.7159758,0.478180561,0.293666913,0.207643774,0.149789096,0.097354846,0.075935911,0.088388348,13.04942153,24.43335761,23.15294118,23.48,14.86867545,192.3805617,0.521976861,0.977334304,0.926117647,0.9392,0.594747018,7.695222467,2.5458,39.44,25.41191019,39.68761279,50.82382038,5.647091153,25.41191019,0.089797579,0.009977509,-2.16917754,37.38194553,4.153549503,3.259069063,85,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,2,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.68662415,0.405972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.157385204,0.802777778,0,0,0,0,0,0,0,0,0,0,4.074108088,0,4.999962207,0,0,0,0,0,0,0.405972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.68662415,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.68662415,0.405972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.232454649,0.401388889,0,0,0,0,0,0,0,0,0,0,1.924880008,0,0.712018141,0,0,0,0,0,0,0.405972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.68662415,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.68662415,0.405972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.14922808,0,1.205351474,0,0,0,0,0,0,0.405972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.68662415,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.16666667,2.240740741,0.455739796,10.68662415,0.232454649,0.405972222,4.112754394,1.260694444,3.68662415,7.67170446,1.260694444,3.68662415,7.67170446,4.33333,0.48148,0,0.01852,0.47467,0.78519,0.42414,0.47467,0.78519,0.05053,0,-0.05053,0,0.61321,0.10108,0,0.30769,0.11538,0,5.75,0.63889,4.25,0.47222,1.5,0.16667,-2.75,-0.30556,0,0,7.87957,0.87551,9.9223,2.04273,0.22697,3.61989,0.40221,4.30805,0.68816,0.07646,0.10595,0.01177,0.10595,0.01177,0,8.01,1,1,1,1,0,0,0.875,1.12385619,1.73366069,3.003074189,3.78346519,3.429275071,3.319079571,28.09640474,43.34151724,75.07685474,94.58662974,85.73187677,82.97698927,0.242009258,0.373323509,0.646676828,0.814724883,0.738454192,0.714724883,3.52,2.9101955,1.640782,0.860391,1.214581119,1.324776619,0.242009258,0.373323509,0.646676828,0.814724883,0.738454192,0.714724883,9.698823506,17.0164775,21.26586042,22.052358,19.93664834,20.37305033,33.32875244,22.7970611,19.29297062,16.78877724,19.96458856,19.94710354,9,6.125,5.87755102,9,1,8,2.23,1.2515,0.142857143,3.377018974,0.632455532,0,4.832409738,2.648059603,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,4.386,8,7,5,4,3,1,0,0,0,45,2.302585093,2.397895273,2.302585093,1.945910149,1.791759469,1.609437912,0.693147181,0,0,0,3.988984047,1.177777778,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.625,7,0.875,0,4,7,0.75,1.5,0.666666667,0.25,0.16,0.111111111,0.040816327,0,0,0,0,0.1875,0.083333333,0.035714286,0.032,0.027777778,0.013605442,0,0,0,0,0.379930839,25.41191019,39.68761279,50.82382038,5.647091153,25.41191019,0.089797579,0.009977509,-2.16917754,37.38194553,4.153549503,3.259069063,17.07,153.0781037,4.169925001,3.496507561,4.143134726,4.828313737,5.501258211,6.196444128,6.876264612,7.5750717,8.257126286,8.957381736,72.8315027,2.833213344,0,3.891820298,0,5.117993812,0,6.411818268,0,7.739359203,8.053251154,128.1201151,5.124804605,16.65751855,1.850835395,2.442494268,2.442494268,0,110,7,2.398,32,1.235375,2.132309693,2.879560105,3.633648077,4.941959608,5.929513214,7.274329305,8.262090649,9.403440872,0,82.57073002,83.73901097,84.1167364,103.2967766,117.1628609,139.0643113,107.8094694,41.84972125,9.554497746,0,288.0075883,329.6617549,348.1903114,459.7053411,538.1028544,629.7372459,680.1714596,509.1468116,292.2941528,0,9.127084548,15.44747067,20.95927402,26.53843403,35.35909594,42.63745135,52.81045353,56.71260691,63.17667897,0,2.129262229,2.655864597,2.894434981,3.856933996,4.694387823,5.495019069,6.305602451,5.691193411,4.180891162,0,177.5103941,331.9678117,475.6978514,589.7040282,821.3494174,988.1680664,1222.383511,1431.899813,1738.862207,0,2.962815972,4.417701927,6.392413915,7.976812841,9.492552857,12.66690887,15.73900374,11.27848556,9.403440872,0,0.451450938,0.582759359,0.65561238,0.865211454,1.051296659,1.248237697,1.440562613,1.261094023,0.962912345,0,425.008955,245.9027395,12.64870049,167.6428044,-96.99519122,-16.7120982,257.3661506,342.8979308,29.36079868,0.71713101,0.414919446,0.021342551,0.28286899,-0.163663044,-0.02819885,251.8823049,145.7346912,7.496274597,99.35380295,-57.48437073,-9.904454398,0.228780615,0.517093989,3.367185971,14.24028347,565.1126972,27.53906212,0.953532472,0.046467528,568.4587366,23.84237271,8.283864411,723.4513139,26.89705028,8.977107722,944.8131486,30.73781301,9.812552112,2.83196383,2.83196383,1069.993184,1017.326032,76.05501362,1.051770179,14.06867388,13.37618631,4.623520006,5.572703559,10.02711772,0.799327313,4.475623891,6.726772719,3.433513539,18.13766438,9.429891911,0.598684087,3.443073553,10.36966177,11.36148399,5.412375398,2.093547383,6.92755015,8.494950876,2.721992961,3.876439186,3.193288335,1.838033958,0.195832682,2.131539743,3.89E-10,1.57E-41,1.22E-94,1.83E-169,5.29E-266,0,0,0,0,0,0,0.392101864,6.726506417,0.276899007,6.339434684,0.27084518,0.059513204,0.704924398,0.448518002,4.498327678,0.147508552,0.07808789,1.474630042,0.427634799,1.129786811,0.172201213,0.100042283,0.013064121,0.016345206,0.015012609,2.74E-12,1.10E-43,8.58E-97,1.29E-171,3.73E-268,0,0,0,0,0,0,1.218374691,6.726406924,0.753165753,6.809630349,0.969463353,0.107493231,1.236440468,1.659300392,4.862798303,0.678278584,0.309317866,2.039015551,1.270737685,1.357151203,0.656782603,0.398271213,0.135052131,0.052823406,0.156442957,2.85E-11,1.15E-42,8.95E-96,1.34E-170,3.88E-267,0,0,0,0,0,0,4.229734703,6.726802007,3.524669521,17.38668473,9.030325316,0.725466828,3.290902065,9.628382206,11.6814909,4.897649676,1.906424832,6.939375937,8.407947649,2.589977859,3.55360917,2.886058037,1.637682373,0.184788331,1.899163536,3.46E-10,1.40E-41,1.09E-94,1.63E-169,4.71E-266,0,0,0,0,0,0,1.788084699,6.72638946,1.042828358,7.653371305,1.650837121,0.11278045,1.610740529,2.693172388,5.293987284,1.204131195,0.521545686,2.563186362,1.912871485,1.542220719,1.070056172,0.701920659,0.293179799,0.077911763,0.339815008,6.19E-11,2.50E-42,1.94E-95,2.92E-170,8.44E-267,0,0,0,0,0,0,5.404987032,6.726966451,4.525197899,23.72623976,13.65817171,0.873938552,4.077941176,14.05188614,14.19079866,7.536645103,2.858747192,8.676812689,11.87689831,3.250004612,5.180801462,4.464649553,2.680476406,0.236788816,3.10865039,5.67E-10,2.29E-41,1.78E-94,2.67E-169,7.72E-266,0,0,0,0,0,0,2.836895657,6.296357697,3.892169329,14.54118695,7.245170452,1.386180928,2.343525316,5.605664477,14.34293213,2.260733463,0.920389383,8.4219363,7.967402723,2.122145785,1.779011073,1.471617398,0.678772638,0.144161124,0.786903953,1.43E-10,5.78E-42,4.50E-95,6.75E-170,1.95E-266,0,0,0,0,0,0,9.786708282,0.828746273,0.464125452,0.883310403,0.07479943,0.567330547,0.580596558,0.55998227,11.07958001,13.03760066,27.88156205,0.824965605,1.707909375,7.930906745,0.525572497,0.091221475,0.927840949,0.061487003,0.372230629,0.227285826,0.02163205,8.547700717,4.939678973,13.8676151,0.891761423,0.621148505,8.824389247,0.587175948,0.240888144,0.91421206,0.060831783,0.461017119,0.291489606,0.150846194,9.652453339,7.448603593,18.34921141,0.871318089,0.903352919,9.661158362,0.835703619,0.448256614,0.882691063,0.076354003,0.552655605,0.59056962,0.522344372,10.9451186,12.77915282,27.3434348,0.824036594,1.665569597,9.205019097,0.631624416,0.311585811,0.90705667,0.062239864,0.501975045,0.337101468,0.252382276,10.14822932,8.879073364,20.83889837,0.860585005,1.091458789,9.885273869,0.86547843,0.491119207,0.879326353,0.076987042,0.578784213,0.633275483,0.627014156,11.24187151,13.83539226,29.27902987,0.818989529,1.839073851,9.680304188,0.839876678,0.44813861,0.882569496,0.076572959,0.554796253,0.596396796,0.522069393,10.96831948,12.84476096,27.45656463,0.823854243,1.673262442 +UMLYSI0286,L,methyl-2-hexenoate,CCCC=C(C)C(=O)[O-],unsaturated esters,C7H12O2,2396-77-2,5364409,PubChem,,35.9,0,0.0155,2.40E-04,32.8042,21.258723,0,0,20,9,11,0,7,0,2,0,0,0,0,0,0,0,1532.961553,1383.090672,1707.722625,1575.832792,1114.705125,867.579644,563.896122,105.906528,0,3739.321055,4408.663195,5447.407009,5343.249643,4365.615956,3207.667194,2152.645541,771.8354836,0,153.390148,143.604816,246.292404,279.036544,284.89098,204.675968,162.321912,117.293184,0,25.69944995,31.66106741,41.4288962,41.89211244,34.69034187,25.53251119,17.50732816,7.21012406,0,3292.557237,2751.800818,5182.206059,6095.768421,6193.231231,4496.496821,3535.032605,2775.364528,0,131.0555556,61.02777778,126.1666667,112,120,82.16666667,79,51,0,76.64807765,72.79424589,51.74917045,41.469284,30.12716554,32.13257941,26.85219629,7.0604352,0,186.9660527,232.034905,165.0729397,140.6118327,117.9896204,118.8024887,102.5069305,51.45569891,0,7.6695074,7.558148211,7.463406182,7.343066947,7.699756216,7.580591407,7.729614857,7.8195456,0,1.284972498,1.666371969,1.255421097,1.102424012,0.937576807,0.945648563,0.833682293,0.480674937,0,164.6278618,144.831622,157.0365472,160.4149585,167.3846279,166.5369193,168.334886,185.0243019,0,6.552777778,3.211988304,3.823232323,2.947368421,3.243243243,3.043209877,3.761904762,3.4,0,0.288559298,-0.183546558,-6.97E-05,0.087999188,-0.048567793,-0.001439181,0.02879386,-0.027449509,0,724.4401246,-31.95471312,138.7661386,144.9165108,-286.0808371,-78.23299949,-197.7711454,-51.86301656,0,982.6466001,-78.13261484,-37.72550967,-107.2666441,-149.9196504,-67.34539437,-283.1376923,232.2042056,0,1.9090598,-3.72E-05,1.02332553,0.30330558,-0.87139703,-0.34805133,-0.42599839,-0.63567705,0,4.422239323,-0.407763791,-0.455645498,-1.550670648,0.035158429,-0.274640095,-1.256213623,1.698655564,0,24.93932627,-2.315734171,-2.496629074,-10.19006897,1.043771781,-1.607909179,-6.996508761,10.09341524,0,61.36666667,-1.567777778,33.02,13.25333333,-30.14222222,-13.22,-12.09333333,-19.93333333,0,0.014427965,-0.009660345,-2.11E-06,0.002315768,-0.001312643,-5.33E-05,0.001371136,-0.001829967,0,36.22200623,-1.681827006,4.205034504,3.813592388,-7.731914517,-2.8975185,-9.417673589,-3.457534438,0,49.13233,-4.112242886,-1.143197263,-2.822806424,-4.051882444,-2.494273866,-13.48274725,15.48028038,0,0.09545299,-1.96E-06,0.031009865,0.007981726,-0.023551271,-0.01289079,-0.020285638,-0.04237847,0,0.221111966,-0.021461252,-0.013807439,-0.040807122,9.50E-04,-0.010171855,-0.059819696,0.113243704,0,1.246966314,-0.121880746,-0.075655426,-0.26815971,0.028210048,-0.059552192,-0.333167084,0.672894349,0,3.068333333,-0.08251462,1.000606061,0.34877193,-0.814654655,-0.48962963,-0.575873016,-1.328888889,0,-0.669557018,-1.46E-04,0.160505527,-0.090979086,-0.003694422,0.095033237,-0.126834748,0,-0.046431084,0.116090602,0.105283853,-0.213459036,-0.079993319,-0.259998674,-0.095453974,0,-0.08369729,-0.023267719,-0.057453136,-0.082468762,-0.050766448,-0.274417013,0.315073199,0,-2.05E-05,0.324870541,0.083619442,-0.246731622,-0.135048572,-0.212519667,-0.443972158,0,-0.097060564,-0.062445464,-0.184554111,0.004297496,-0.046003188,-0.270540294,0.512155476,0,-0.097741811,-0.060671588,-0.215049682,0.022622943,-0.047757659,-0.267182104,0.539625122,0,-0.026892326,0.326107353,0.113668201,-0.265503961,-0.15957511,-0.187682678,-0.433097954,0,1.713036292,0.6239763,0.784963626,1.078252915,1.03714653,1.20779848,0.918026168,0,0.941095296,0.782389444,0.773978643,1.206274201,1.040046727,1.261602544,1.17880592,0,1.295124258,1.075447262,1.066021126,0.957143536,0.950291717,1.118161744,0.322699522,0,0.500194913,0.305872413,0.487772044,1.476740597,1.179093267,1.510357188,2.244983211,0,1.422075358,1.146351533,1.194492857,0.855612782,0.926462402,1.088211956,0.015708681,0,1.428547205,1.138024284,1.20933869,0.846176492,0.928166732,1.09419147,5.86E-05,0,0.534582654,0.30687785,0.456160601,1.495423316,1.201666767,1.484183027,2.229223248,0,39.1531221,19.82656105,30.22921484,39.54201099,4.393556777,19.82656106,0.5,0.239185481,0.026576165,-1.287464363,44.56125743,4.951250825,3.417178333,39.1583475,19.82843933,30.2313956,39.54609396,4.39401044,19.82843934,0.498531158,0.239070111,0.026563346,-1.287898575,44.57622178,4.952913532,3.417480516,43.85923648,21.53062376,32.27342055,43.23857841,4.804286489,21.53062376,-0.797988956,0.130095898,0.0144551,-1.835535082,350.4107837,38.93453153,5.273195521,39.16383186,19.83041073,30.23368465,39.55037933,4.394486592,19.83041074,0.4969896,0.238949014,0.02654989,-1.288354572,44.5919539,4.954661545,3.417798093,48.96426381,23.39983764,34.70286789,47.28069496,5.253410551,23.39983764,-2.164588529,0.002900607,3.22E-04,-5.25855165,59.46672006,6.607413341,3.676875146,39.70139601,20.02383219,30.45905412,39.97071586,4.441190651,20.0238322,0.346268372,0.227023212,0.025224801,-1.334432712,46.27724654,5.141916282,3.451185364,40.16230781,20.35912575,31.85637628,40.84546324,4.538384805,20.35912575,1.390249433,0.358575333,0.039841704,-0.923054855,36.52781064,4.058645627,3.238266515,0,11.99632006,15.9982593,-0.259875103,0.400936812,3.990440798,7.827820418,8,19,17,17,6,2,2,0,0,2,13.941277,3.643988867,3.215895764,2.778532883,2.423224611,1.836501854,1.332028973,1.28513672,0.473305475,1.86936871,1.624174319,1.23918398,0.968496883,0.710146507,0.493571449,0.083923071,0.083923071,3.605340569,3.192931005,2.637858185,2.478192291,1.889869624,1.382211147,0.714799104,0.520057684,1.833969436,1.578637097,1.133413202,1.067909744,0.641911272,0.381251141,0.270913902,0.270913902,3.710104213,3.368359357,2.91381625,2.744491776,2.207680895,1.817412087,1.330662782,0.98993709,1.688836685,1.354693787,0.801191108,0.736120795,0.237458243,0.116753866,0.943918427,0.943918427,3.605758237,3.204148472,2.600233307,2.513234698,1.932493142,1.454785485,0.577729527,0.480239521,1.818877979,1.553890846,1.111517648,1.063689508,0.573741954,0.290039184,0.399277246,0.399277246,3.73459676,3.421604524,2.929572999,2.863639291,2.339457328,1.998712855,1.209386073,1.207644823,1.659245136,1.298087008,0.737589036,0.671756222,0.115609879,0.29215818,1.150155531,1.207644823,4.930805137,3.972972973,3.50415276,3.145673107,2.638346264,2.085769265,1.559728494,0.942031799,1.750095603,1.412461849,0.950122262,0.582281664,0.295506801,0.005227836,0.567567568,0.567567568,0,0,1,1,1,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.144337567,0,0,0,1.207106781,0.61785113,0.638071187,0.160987638,0.11383545,0.101631566,7.276020882,4.180739213,3.363529345,2.151090525,0.859432754,0.557677536,0.23570226,0,0.808446765,0.522592402,0.373725483,0.268886316,0.171886551,0.139419384,0.11785113,0,5.399812122,2.858154351,1.777874054,0.900186557,0.402510585,0.245969133,0.029462783,0,0.599979125,0.357269294,0.197541562,0.11252332,0.080502117,0.061492283,0.014731391,0,11.40965113,20.04442826,19.18823529,19.48,12.35252874,153.0784868,0.570482556,1.002221413,0.959411765,0.974,0.617626437,7.653924341,-0.62751,33.402,23.55409316,35.91182605,47.10818631,5.234242923,23.55409316,0.132882999,0.014764778,-1.816457618,39.2642408,4.362693422,3.303282781,74,0,0,1,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,2,0,1,0,0,0,0,0,0,0,0,2,0,2,0,1,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.02574452,0.940092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.441319444,0,0,1.012339853,0.880208333,0,0.441319444,0,0,0,0,0,0,0,0,3.545686886,0,1.796064815,0,1.675925926,0,0,0,0,-0.735833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.02574452,0,0,0,10.02574452,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.02574452,-1.06625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.441319444,0,0,0.283589853,0.405902778,0,0.441319444,0,0,0,0,0,0,0,0,1.54662037,0,0.819259259,0,1.675925926,0,0,0,0,-1.06625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.02574452,0,0,0,10.02574452,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.02574452,1.675925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.441319444,0,0,0.405902778,0.474305556,0,0.441319444,0,0,0,0,0,0,0,0,1.999066515,0,0.976805556,0,1.675925926,0,0,0,0,0.330416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.02574452,0,0,0,10.02574452,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26.33333333,2.925925926,0.689652778,10.02574452,0.283589853,-1.06625,2.970451735,2.732916667,3.02574452,12.10297808,2.732916667,3.02574452,12.10297808,4.16666,0.46296,0,0.03704,0.55667,0.87037,0.42414,0.53333,0.87037,0.13253,0.02333,-0.1092,0,0.53191,0.18238,0,0.4,0.24,0,7.5,0.83333,4.5,0.5,3,0.33333,-1.5,-0.16667,0,0,6.37048,0.70783,10.50211,4.13164,0.45907,2.66593,0.29621,4.18073,1.5148,0.16831,0.23327,0.02592,0.23327,0.02592,0,8.02,2,2,2,2,0,0,0.571428571,1.336666482,2.660964047,3.646439345,3.646439345,3.546439345,3.114246535,26.73332964,53.21928095,72.92878689,72.92878689,70.92878689,62.2849307,0.309275502,0.615689107,0.84370662,0.84370662,0.820568799,0.720568799,2.985261613,1.660964047,0.67548875,0.67548875,0.77548875,1.20768156,0.30431919,0.605822346,0.830185752,0.830185752,0.807418728,0.709021283,12.152688,25.78668497,26.77987164,26.77987164,25.57987164,20.39355793,32.79741427,17.74968788,16.54172815,16.54172815,17.93488501,15.34172815,9,4.839506173,4.5,9,5,6,2.01,1.1048,0.2,2.620741394,1.590541458,0,2.381101578,2.620741394,0,1,0,0,0.5,0,0,0,0,0,0,0,0,0.246,0.122,0.103,0.337,0.235,3.613,9,8,5,4,2,0,0,0,0,45,2.397895273,2.708050201,2.833213344,2.564949357,2.397895273,1.945910149,0,0,0,0,4.356708827,1.711111111,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.375,6,0.75,0,3,6,1,2,1.111111111,0.375,0.24,0.111111111,0,0,0,0,0,0.25,0.12345679,0.046875,0.048,0.027777778,0,0,0,0,0,0.496109568,23.55409316,35.91182605,47.10818631,5.234242923,23.55409316,0.132882999,0.014764778,-1.816457618,39.2642408,4.362693422,3.303282781,40.13,140.6176577,4.169925001,3.555348061,4.234106505,4.96284463,5.680172609,6.411818268,7.139660336,7.872836175,8.603921195,9.337941717,74.7986495,2.833213344,0,3.970291914,0,5.283203729,0,6.670766321,0,8.094683649,8.375168691,127.0759046,6.35379523,16.49144059,1.832382288,4.731253355,4.731253355,0,102,8,1.469,34,1.238075219,2.146662646,2.981402054,3.716268833,4.683283777,5.817402609,6.466642351,0,0,0,101.2259031,124.9492039,138.3058894,133.9542857,178.1641956,177.3609254,51.160556,0,0,0,312.5615147,386.5494196,451.5037376,488.2616874,623.1262896,631.0125883,351.2937498,0,0,0,9.399640772,16.1570626,22.02640706,28.76141079,35.96143457,45.26793087,51.56871162,0,0,0,2.198055091,2.873038959,3.456407826,3.760719977,4.794280832,4.999152891,3.141186473,0,0,0,177.2020982,332.5240222,474.1882343,614.1169182,768.1252279,973.2137664,1196.583089,0,0,0,4.090391651,8.721846729,9.247064966,12.4983032,15.44576799,23.13231933,24.17172314,0,0,0,0.481034659,0.650854186,0.800928579,0.918010019,1.16951727,1.310368585,0.964350889,0,0,0,271.7874271,201.3818358,10.67623398,161.0311508,-119.3165891,-25.73031385,110.7562763,320.6984249,36.40654783,0.627947692,0.465280018,0.024666765,0.372052308,-0.275673447,-0.059448266,117.6346477,87.1617998,4.620872411,69.69727371,-51.64243643,-11.13655785,0.515640326,0.325220207,4.735128325,14.62454367,335.408049,97.41052892,0.774939123,0.225060877,630.8433004,25.11659412,8.576442199,740.9861038,27.22105993,9.049057639,1071.616771,32.7355582,10.23324018,1.825565793,1.799945261,862.8072795,746.5513966,128.9764572,1.155723884,6.689649402,5.788276504,4.645167178,4.665821441,8.264199938,0.77122079,4.486417975,4.70143527,1.940837401,16.0620648,8.162667931,3.461945108,6.494142085,5.820846185,7.149732765,1.959666008,3.282505645,2.049117364,2.006603234,2.130933905,9.30E-04,0.003848134,3.07E-24,4.73E-67,1.40E-131,8.03E-218,0,0,0,0,0,0,0,0,0,0,0.378785489,4.697669144,0.159920199,6.337876157,1.184143701,0.566491073,1.316776815,1.139934332,3.490834348,0.108633209,0.4262003,1.457788834,0.060091224,0.50694191,1.04E-04,4.30E-04,3.43E-25,5.28E-68,1.57E-132,8.98E-219,0,0,0,0,0,0,0,0,0,0,1.216243033,4.693216414,0.516979112,6.739048335,1.846518024,0.911075326,2.039846679,1.49080166,3.460573911,0.245673667,0.803139131,1.093498536,0.202649099,0.527431494,1.80E-04,7.45E-04,5.95E-25,9.15E-68,2.72E-132,1.56E-218,0,0,0,0,0,0,0,0,0,0,4.235515232,4.703347875,1.82985363,15.51982916,7.48162949,3.331880089,6.89163868,5.557679905,8.100399205,1.761161924,3.121468975,2.290810724,1.942877133,2.692941231,0.001168308,0.004833399,3.86E-24,5.94E-67,1.76E-131,1.01E-217,0,0,0,0,0,0,0,0,0,0,1.79147488,4.691915715,0.764084725,7.437366686,2.527966994,1.227717683,2.42433821,1.854369554,3.439944987,0.411244596,1.127473734,1.008942346,0.339249297,0.472154605,1.78E-04,7.38E-04,5.89E-25,9.06E-68,2.69E-132,1.54E-218,0,0,0,0,0,0,0,0,0,0,5.418001484,4.706041071,2.355206248,20.59470141,11.03005124,4.365450007,8.452684238,7.960652303,8.983631125,2.79135886,4.170411845,2.437643656,2.92133133,3.056922803,0.001358498,0.005620234,4.48E-24,6.90E-67,2.05E-131,1.17E-217,0,0,0,0,0,0,0,0,0,0,2.64351094,4.401084397,1.069668098,12.94633185,3.874432952,2.82067921,7.735405936,3.933960425,12.21049553,0.749785797,2.282301437,4.755650661,1.465638324,5.301566792,0.002097433,0.008677275,6.92E-24,1.07E-66,3.16E-131,1.81E-217,0,0,0,0,0,0,0,0,0,0,5.898561907,1.400696287,0.315545201,0.774617755,0.183943854,0.575152716,0.495697874,0.399973799,7.614803395,10.56533966,20.78720709,0.661926632,1.470824389,6.898351901,1.022384493,0.05002549,0.865457029,0.128266847,0.792462254,0.208898163,0.010052893,7.970761884,7.449006728,15.77258678,0.798185544,1.011413311,5.847956223,1.107089159,0.149847845,0.823088544,0.155820661,0.560198193,0.297826852,0.090200592,7.104893228,7.516407504,15.59144699,0.734632816,0.948225638,6.142895905,1.434678945,0.297188751,0.780073691,0.182186922,0.619913795,0.519023065,0.354791427,7.874763601,11.06505342,21.55896627,0.670110536,1.493728287,5.519632262,1.133165221,0.203990651,0.804988014,0.165261811,0.501387326,0.324851935,0.167158672,6.856788134,7.611763803,15.74444315,0.707482021,0.993397933,5.988306932,1.454370064,0.335699063,0.769865957,0.186976054,0.593023582,0.534147403,0.452698068,7.778376058,11.20771403,21.90976517,0.654798936,1.579869053,6.174343528,1.440700721,0.296286574,0.780443097,0.182105989,0.626062048,0.522802433,0.352640613,7.911330823,11.15161654,21.69852938,0.670664645,1.501505094 +UMLYSI0287,L,2-methyl-3-hexanone,CCCC(=O)C(C)C,saturated alkanone,C7H14O,12/6/7379,23847,PubChem,,35.9,0,0.2686,0.07214596,33.7921,22.457102,0,0,22,8,14,0,7,0,1,0,0,0,0,0,0,0,1280.041744,1227.247947,1503.231168,1484.542387,964.958784,520.633346,160.526016,18.289152,0,3616.181511,4450.143542,5783.213931,5869.842476,4593.59877,3134.559747,1843.095563,559.5073998,0,160.193824,154.923828,281.566608,352.760548,336.520776,237.19988,186.188544,120.932352,0,26.39008467,33.66236034,46.57370815,48.38970526,39.35931223,28.99630497,20.03172529,8.003032287,0,3661.858907,3057.825133,6163.99792,7850.138722,7608.761458,5541.704339,4611.235353,3328.517736,0,84.05555556,52.30555556,80.5,124.8333333,121.8333333,66,39,18,0,58.18371564,58.44037843,38.54438892,30.9279664,21.44352853,15.77676806,5.945408,1.016064,0,164.3718869,211.9115972,148.2875367,122.2883849,102.0799727,94.98665899,68.26279863,31.08374443,0,7.281537455,7.377325143,7.219656615,7.349178083,7.478239467,7.187875152,6.895872,6.718464,0,1.199549303,1.60296954,1.194197645,1.008118859,0.874651383,0.878675908,0.741915752,0.444612905,0,166.4481321,145.6107206,158.0512287,163.5445567,169.083588,167.9304345,170.7864946,184.917652,0,3.820707071,2.490740741,2.064102564,2.600694444,2.707407407,2,1.444444444,1,0,0.130853161,-0.050607319,-0.015479246,0.034438139,-0.020711085,-0.016160956,-0.006741997,0.009835884,0,687.3645011,-46.5210804,48.45623025,-76.07303047,-307.4154511,-197.0538051,-79.93409425,314.8589806,0,1066.90404,-96.33311012,-66.98558591,-249.5720545,-193.2082477,-204.8130862,-207.2595746,484.7196389,0,1.085692364,-0.003217983,0.122482083,-0.074478612,-0.613787471,-0.219873455,0.075713554,0.170315702,0,4.734521863,-0.459492824,-0.747257499,-1.521369487,0.015316976,-0.501070854,-1.058711023,1.90532378,0,26.12162368,-2.544279046,-4.798695666,-9.013411175,1.372526341,-2.074733775,-5.940795443,9.938576923,0,34.55555556,-1.444444444,1.5,-1.166666667,-16.16666667,-5.25,0.75,4.5,0,0.005947871,-0.002409872,-3.97E-04,7.17E-04,-4.60E-04,-4.90E-04,-2.50E-04,5.46E-04,0,31.24384096,-2.215289543,1.242467442,-1.584854801,-6.83145447,-5.971327427,-2.960522009,17.49216559,0,48.49563818,-4.587290958,-1.717579126,-5.199417801,-4.293516615,-6.206457157,-7.676280539,26.92886883,0,0.049349653,-1.53E-04,0.003140566,-0.001551638,-0.013639722,-0.006662832,0.002804206,0.009461983,0,0.215205539,-0.021880611,-0.019160449,-0.031695198,3.40E-04,-0.015183965,-0.039211519,0.105851321,0,1.187346531,-0.121156145,-0.123043479,-0.187779399,0.030500585,-0.06287072,-0.220029461,0.552143162,0,1.570707071,-0.068783069,0.038461538,-0.024305556,-0.359259259,-0.159090909,0.027777778,0.25,0,-0.405165537,-0.066730389,0.120624883,-0.077380015,-0.082336344,-0.041982012,0.091871191,0,-0.07090324,0.039766796,-0.050725351,-0.218649637,-0.191120145,-0.09475538,0.559859641,0,-0.094591826,-0.035417188,-0.107214133,-0.088534078,-0.127979699,-0.158288061,0.555284348,0,-0.003105134,0.063639074,-0.031441715,-0.276389413,-0.135012742,0.05682321,0.191733536,0,-0.101673083,-0.089033251,-0.147278726,0.001581638,-0.070555643,-0.182204973,0.491861508,0,-0.102039415,-0.103628954,-0.15815046,0.025688023,-0.052950608,-0.185311916,0.465022761,0,-0.04379115,0.024486767,-0.015474277,-0.228724544,-0.101286174,0.017684887,0.159163987,0,1.17600689,0.816897275,1.216276226,1.744535165,0.93084789,0.25336497,3.81E-05,0,1.244484016,0.960855068,1.077370707,1.27325005,1.096665766,0.821943391,0,0,1.493214171,1.153593739,1.088003083,0.941304824,1.014612803,0.984713298,0,0,0.532603912,0.526524558,1.285203269,2.197881782,1.088911006,0.101939251,0,0,1.567567372,1.230303229,1.129965895,0.837939033,0.950594978,0.992000206,0,0,1.571413854,1.241520137,1.146860314,0.83102114,0.932291894,0.976672029,0,0,0.576366559,0.550364828,1.276627814,2.169212219,1.057366267,0.135048232,0,0,34.10792431,17.17896215,26.13095327,34.29542431,4.286928038,17.17896227,0.25,0.120565753,0.015070719,-1.692448003,36.04987389,4.506234236,2.867922692,34.10963818,17.17945188,26.13144643,34.29658737,4.287073421,17.179452,0.249265579,0.120560121,0.015070015,-1.692485378,36.04949069,4.506186336,2.867914189,35.64629002,17.62364777,26.57950176,35.34704416,4.41838052,17.62364784,-0.398994478,0.115422073,0.014427759,-1.727327739,35.6643226,4.458040325,2.859320658,34.11143698,17.17996589,26.13196405,34.29780808,4.28722601,17.179966,0.2484948,0.120554209,0.015069276,-1.692524608,36.04908839,4.506136049,2.867905261,37.3102112,18.11395847,27.0764377,36.4984905,4.562311313,18.11395851,-1.082294264,0.10937278,0.013671597,-1.770394586,35.149858,4.39373225,2.847696463,34.28765658,17.23039538,26.18275609,34.41750722,4.302188403,17.23039549,0.173134186,0.119974466,0.014996808,-1.696381076,36.0091377,4.501142213,2.867018185,40.0382876,20.05133619,31.00699284,40.33012433,5.041265541,20.0513362,0.583673469,0.108815471,0.013601934,-1.774481409,39.33301196,4.916626495,2.937651332,0,11.89,15.99491639,-0.298905832,0.135220386,4.586807536,7.652207464,7,21,20,20,6,1,1,0,0,1,16.262898,3.602159147,3.142700899,2.703315034,2.333552793,2.052362979,1.332142787,1.183338622,0.083923071,1.878363934,1.692515777,1.249629723,1.247169845,0.758119607,0.554138071,0.134067907,0.083923071,3.567224367,3.180640791,2.6509371,2.405454588,2.009970314,1.415080902,1.187979473,0.270913902,1.847690867,1.615342354,1.185724011,1.134540686,0.709488159,0.429165647,0.155053295,0.270913902,3.697747153,3.347908012,2.903207317,2.704236987,2.3587205,1.863138044,1.658669069,0.943918427,1.674735275,1.380481014,0.872863804,0.76031856,0.305877483,0.07667106,0.378151338,0.943918427,3.568851706,3.208692314,2.659982688,2.457539916,2.021152378,1.487726589,1.215694459,0.399277246,1.831307711,1.565565596,1.152790132,1.058262671,0.683337444,0.340877572,0.111595931,0.399277246,3.731294176,3.427906375,2.972162088,2.838982085,2.449685535,2.043437228,1.805919884,1.207644823,1.638015193,1.30557645,0.79638297,0.631337262,0.211249934,0.254166845,0.514262606,1.207644823,4.8023889,3.327856653,3.255681976,2.631436576,2.491244129,1.718943055,1.509849366,0.583333333,1.74051014,1.499809077,0.940735607,0.881436576,0.388957266,0.188413366,0.48579471,0.583333333,0,0,0,1,0,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.372008468,0,0.083333333,0,1.207106781,0.666666667,0.666666667,0.547567507,0.321114263,0.321114263,6.568914101,3.680739213,3.009975955,1.882088123,0.788675135,0.333333333,0,0,0.821114263,0.525819888,0.376246994,0.268869732,0.197168784,0.166666667,0,0,5.899812122,3.20815999,2.371013381,1.140350191,0.535074775,0.288675135,0,0,0.737476515,0.45830857,0.296376673,0.16290717,0.133768694,0.144337567,0,0,11.50759373,21.54552076,20.42745098,20.72,13.07012096,169.3523066,0.523072442,0.979341853,0.928520499,0.941818182,0.594096407,7.697832118,2.0116,34.753,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,54,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,2,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.74282407,0.381944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.986111111,0.802777778,0,0,0,0,0,0,0,0,0,0,5.912962963,0,1.730833333,0,0,0,0.231435185,0,0,0.381944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.74282407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.74282407,0.381944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.265625,0.401388889,0,0,0,0,0,0,0,0,0,0,1.942453704,0,0.747685185,0,0,0,0.231435185,0,0,0.381944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.74282407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.74282407,0.381944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.028055556,0,0.983148148,0,0,0,0.231435185,0,0,0.381944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.74282407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19,2.375,0.437847222,10.74282407,0.265625,0.231435185,3.433167454,1.284722222,3.742824074,7.541759259,1.284722222,3.742824074,7.541759259,3.83333,0.47917,0,0.02083,0.4803,0.79583,0.42308,0.4803,0.79583,0.05723,0,-0.05723,0,0.60209,0.1122,0,0.47826,0.26087,0,5.25,0.65625,3.75,0.46875,1.5,0.1875,-2.25,-0.28125,0,0,6.93204,0.86651,9.01229,2.08025,0.26003,3.01659,0.37707,3.68073,0.66414,0.08302,0.23327,0.02916,0.23327,0.02916,0,7.01,1,1,1,1,0,0,0.857142857,1.143320102,1.820438145,2.889916845,3.265583323,3.140361164,2.671920928,25.15304225,40.0496392,63.5781706,71.8428331,69.0879456,58.78226042,0.256382472,0.408222011,0.648046005,0.732286893,0.704206597,0.599161767,3.316111517,2.638993473,1.569514773,1.193848296,1.319070455,1.787510691,0.256382472,0.408222011,0.648046005,0.732286893,0.704206597,0.599161767,9.968326343,18.09374286,20.54805415,20.92666023,19.42399432,15.87209308,29.50877429,19.35137167,17.6849855,17.18048887,19.24586996,15.15768246,8,3.9375,3.673469388,8,1,6,2.12,1.1106,0.814325285,2.334815149,3.14734519,0,1,2.149139864,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.437,0.423,0.559,0.164,3.659,8,7,4,2,0,0,0,0,0,36,2.197224577,2.397895273,2.397895273,1.791759469,1.098612289,0,0,0,0,0,3.784189634,1.194444444,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,5,0.666666667,2,1.111111111,0.375,0.16,0,0,0,0,0,0,0.285714286,0.138888889,0.053571429,0.04,0,0,0,0,0,0,0.518174603,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,17.07,135.7821191,4,3.433987204,4.110873864,4.844187086,5.556828062,6.289715571,7.01301579,7.744569809,8.471568013,9.202207389,71.66695279,2.708050201,0,3.850147602,0,5.176149733,0,6.577861358,0,8.011355109,8.288283045,114.1044651,5.186566594,14.49604135,1.812005168,2.428909305,2.428909305,0,70,7,1.553,30,1.233333333,2.127201487,2.90569979,3.588685479,4.644410452,5.636611293,6.448902887,0,0,0,82.62061363,92.62707357,98.65989425,91.03441143,85.316516,35.96935264,6.552498063,0,0,0,286.274389,342.1938629,379.273478,407.239656,483.3534082,403.3055311,200.4560492,0,0,0,9.129617831,15.45253086,21.43359948,26.79377553,33.5107177,38.95779222,43.32672189,0,0,0,2.113145198,2.693505533,3.068933456,3.409216401,4.362223563,4.330103458,2.867265446,0,0,0,177.4424221,332.044175,471.8771759,597.9843496,770.3357126,955.6123556,1192.51598,0,0,0,3.120646825,4.62687949,7.74684793,9.66448893,9.597326322,8.363338313,6.448902887,0,0,0,0.449709286,0.592455357,0.70768145,0.79889152,0.975756969,0.952386634,0.660367656,0,0,0,374.6565551,196.6004572,11.29795007,181.7046058,-95.34921543,-18.15718793,192.9519493,291.9496727,29.455138,0.673405301,0.353368407,0.020306863,0.326594699,-0.171380071,-0.032635614,208.444356,109.3808586,6.285740617,101.0933854,-53.04860019,-10.10195416,0.257542411,0.569573885,4.082078211,18.41062795,524.0376495,32.32351138,0.941901927,0.058098073,506.3771674,22.50282577,7.970606549,641.9956726,25.33763352,8.626686854,868.8739557,29.47666799,9.542282283,1.67213961,1.67213961,564.8171806,482.5715898,120.5172839,1.170431896,4.686607285,4.004169147,4.1997336,4.434143809,7.611354189,0.716533003,3.917822784,5.778232752,4.397489101,12.4193567,6.731637442,3.530425361,3.389164433,10.67086781,9.234349999,4.581605727,2.268134183,1.887240649,1.239387969,1.154266576,5.51E-07,1.01E-34,3.58E-84,2.45E-155,3.23E-248,0,0,0,0,0,0,0,0,0,0,0,0.345289482,5.778031055,0.262809065,6.477651516,1.055973991,0.852013966,0.552087566,0.941617704,1.442489073,0.32156183,0.08426622,0.020158855,0.080639005,0.008129594,3.88E-09,7.13E-37,2.52E-86,1.72E-157,2.27E-250,0,0,0,0,0,0,0,0,0,0,0,1.067258616,5.777927166,0.770273144,6.82867721,1.508182789,0.932440847,0.994456495,2.21590974,2.522824029,0.762181564,0.338651747,0.153148662,0.27571449,0.084716636,4.04E-08,7.43E-36,2.63E-85,1.80E-156,2.37E-249,0,0,0,0,0,0,0,0,0,0,0,3.70321596,5.778269105,4.369177755,12.40765851,6.563739519,3.645622161,3.295836161,10.07827307,8.576899097,4.16906199,2.066732446,1.68516211,1.153786592,1.028430738,4.91E-07,9.02E-35,3.19E-84,2.18E-155,2.87E-248,0,0,0,0,0,0,0,0,0,0,0,1.565367409,5.777904074,1.131367048,7.271044419,1.919452214,1.089736413,1.313763372,3.23738209,3.41590522,1.192016159,0.570106639,0.318114372,0.421935023,0.184015854,8.79E-08,1.61E-35,5.71E-85,3.90E-156,5.14E-249,0,0,0,0,0,0,0,0,0,0,0,4.731361413,5.778396793,5.999168147,14.83839348,9.337558123,4.660921373,4.260263587,14.15976499,11.87364982,6.281366705,3.090710269,2.735110861,1.572980747,1.683389321,8.04E-07,1.48E-34,5.23E-84,3.57E-155,4.71E-248,0,0,0,0,0,0,0,0,0,0,0,2.456688537,5.010500954,3.836411071,12.92283779,5.47080967,4.900225011,2.496276396,6.49556511,5.086119106,1.972947242,1.06716628,0.666335044,0.740015874,0.392771265,1.88E-07,3.44E-35,1.22E-84,8.33E-156,1.10E-248,0,0,0,0,0,0,0,0,0,0,0,5.69755622,1.203188103,0.541104695,0.765610295,0.16167865,0.582732809,0.476323623,0.413426044,7.441849019,10.58925702,21.74050418,0.648415442,1.472482475,4.066284042,0.954328138,0.168062845,0.783684471,0.183925209,0.296141015,0.297495039,0.039561018,5.188675026,4.724347646,10.56520219,0.675526706,0.633197072,4.891831904,0.955775308,0.315086705,0.793781416,0.155090504,0.429545657,0.299655556,0.141352234,6.162693917,6.517995436,14.15387477,0.690672124,0.870553447,5.572880751,1.219577473,0.527488506,0.761328047,0.166610157,0.557293535,0.487617172,0.393282197,7.31994673,10.37950347,21.28455739,0.641992071,1.438192904,5.235018693,0.988257822,0.38295405,0.792436571,0.149594812,0.49220477,0.32217755,0.208117958,6.606230565,7.556777114,16.1442389,0.688654856,1.022500279,5.774144679,1.243752061,0.56924311,0.76104366,0.163928975,0.598440755,0.508620375,0.457182258,7.587139851,11.17649372,22.85171236,0.64156549,1.564243388,5.576509967,1.226534646,0.527324844,0.760740642,0.16732235,0.557952097,0.492881444,0.39274796,7.330369457,10.42719712,21.36435391,0.641110963,1.443581501 +UMLYSI0288,L,2-methyl-1-pentanol,CCCC(C)CO,saturated alcohols,C6H14O,105-30-6,7745,PubChem,,35.8,0,-0.2964,0.08785296,29.0742,20.697102,0,0,21,7,14,0,6,0,1,0,0,0,0,0,0,0,1135.777623,1087.00373,1197.024914,1131.015573,768.335111,387.992181,77.761152,3.048192,0,3192.664609,3993.903654,5158.827299,5187.556661,4057.974315,2403.10356,889.2011636,93.25123329,0,152.653308,149.736848,269.497616,343.516836,347.196836,235.320156,149.745024,20.155392,0,23.60118467,30.29468402,42.62577832,45.63931231,37.4094672,23.77443998,10.27626765,1.333838715,0,3535.064551,2963.092506,5884.393485,7907.507988,8252.63294,5689.700191,3852.275462,554.7529561,0,66.52777778,49.25,72.58333333,90.91666667,95,64,37,3,0,54.08464871,54.3501865,32.3520247,23.56282444,16.00698148,11.75733882,3.702912,1.016064,0,152.0316481,199.6951827,139.4277648,108.0740971,84.54113156,72.82131999,42.34291255,31.08374443,0,7.269205143,7.4868424,7.283719351,7.15660075,7.233267417,7.130913818,7.130715429,6.718464,0,1.123865937,1.514734201,1.152048063,0.950819006,0.7793639,0.720437575,0.489346079,0.444612905,0,168.3364072,148.1546253,159.0376617,164.7397497,171.9298529,172.4151573,183.4416887,184.917652,0,3.167989418,2.4625,1.961711712,1.894097222,1.979166667,1.939393939,1.761904762,1,0,0.229746169,-0.103297472,-0.036358804,0.042890622,-0.033488357,0.018243546,-0.01733896,0.01447634,0,638.6281311,-66.44114433,-168.4094321,-81.90604647,-74.51114561,-69.25545465,96.56658557,44.64257198,0,965.983639,-78.0117429,-238.0469756,-305.976464,-18.23228119,-177.5896507,267.975566,66.88972883,0,1.082321143,-0.089402612,-0.139741633,0.074755673,-0.253608898,-0.031944653,-0.128049714,0.026831265,0,4.253148428,-0.249912087,-0.887478714,-1.819902849,0.153254912,-0.970998193,1.390794401,0.257668316,0,23.45618849,-1.219488698,-4.55940872,-10.64372603,1.13215725,-5.597844039,7.82511998,1.335096011,0,24.14550265,-3.20074326,-3.330435878,2.634353741,-5.594482237,-0.097694633,-3.014550265,0.530801209,0,0.010940294,-0.005164874,-9.83E-04,8.94E-04,-6.98E-04,5.53E-04,-8.26E-04,0.004825447,0,30.41086339,-3.322057216,-4.551606272,-1.706375968,-1.552315534,-2.098650141,4.598408837,14.88085733,0,45.9992209,-3.900587145,-6.433702044,-6.374509666,-0.379839191,-5.381504566,12.76074124,22.29657628,0,0.051539102,-0.004470131,-0.003776801,0.00155741,-0.005283519,-9.68E-04,-0.006097605,0.008943755,0,0.202530878,-0.012495604,-0.023985911,-0.037914643,0.003192811,-0.029424188,0.066228305,0.085889439,0,1.116961357,-0.060974435,-0.123227263,-0.221744292,0.023586609,-0.169631638,0.372624761,0.445032004,0,1.14978584,-0.160037163,-0.09001178,0.05488237,-0.116551713,-0.002960443,-0.143550013,0.176933736,0,-0.472096429,-0.089821206,0.081675561,-0.063771059,0.050531983,-0.075470071,0.441071043,0,-0.109239161,-0.149670406,-0.056110737,-0.05104477,-0.069009884,0.151209414,0.489327026,0,-0.084796809,-0.139865457,-0.138578644,-0.008257514,-0.116991211,0.277412117,0.48471639,0,-0.0867328,-0.0732803,0.030218025,-0.102514761,-0.01878224,-0.118310277,0.17353339,0,-0.06169728,-0.118430886,-0.187204258,0.015764562,-0.145282477,0.327003495,0.424080712,0,-0.054589565,-0.110323658,-0.198524587,0.021116764,-0.151868851,0.333605777,0.398430976,0,-0.139188671,-0.078285692,0.047732689,-0.101368193,-0.002574778,-0.124849348,0.15388408,0,1.394052914,0.817754231,0.595318573,1.149096144,1.036438759,1.398792801,1.517666959,0,1.420617299,1.221657735,0.992053783,0.964158085,0.910168987,0.592979599,0,0,1.575881923,1.316090631,1.149578459,0.825711918,0.910634708,0.234386891,0,0,1.044336986,0.887599872,0.639489802,1.312654144,0.942067334,1.499092075,0,0,1.628819317,1.32928372,1.20855996,0.780852566,0.916759524,0.118821453,0,0,1.633454525,1.323894358,1.215540503,0.777731834,0.919350406,0.111008698,0,0,1.110167634,0.882413036,0.619316314,1.31005533,0.941263185,1.498849567,0,0,28.61034943,14.43017471,21.97115868,28.78892086,4.112702979,14.43017627,0.25,0.096582163,0.013797452,-1.63615284,23.46578542,3.35225506,2.208880394,28.61360716,14.43143637,21.9728182,28.79165401,4.113093429,14.43143793,0.249265579,0.096478295,0.013782614,-1.636906053,23.4677897,3.352541385,2.208940181,31.53771768,15.5693616,23.5873648,31.25272162,4.464674517,15.56936206,-0.398994478,0.010355429,0.001479347,-3.199171066,27.93730183,3.991043119,2.330973945,28.61702633,14.43276057,21.97456024,28.79452262,4.113503231,14.43276212,0.2484948,0.096369245,0.013767035,-1.637697715,23.46989757,3.35284251,2.209003052,34.69892973,16.80831773,25.693982,33.92586239,4.846551771,16.80831786,-1.082294264,0.14656631,0.020938044,-1.344194129,70.58500568,10.08357224,2.979772416,28.95207908,14.56260663,22.1466997,29.07574635,4.15367805,14.56260797,0.173134186,0.085508444,0.012215492,-1.721398107,23.69876113,3.385537305,2.215795942,31.81674325,16.19856833,25.3079439,32.23113136,4.604447337,16.19856862,0.581018519,0.108615415,0.015516488,-1.553959359,21.44790575,3.063986535,2.145938904,0,11.99635526,15.9979425,-0.421325202,0.072122679,4.182365487,7.562880196,6,20,20,20,6,0,0,0,0,0,15.304898,3.501855945,3.041517531,2.57169375,2.230099816,1.586341291,1.333966709,0.913914121,0.083923071,1.890707669,1.598098427,1.21231229,1.112918766,0.670337449,0.435644876,0.339879219,0.083923071,3.512575161,3.054212191,2.499140722,2.294684649,1.585390598,1.306607017,1.022997546,0.270913902,1.839751697,1.528473102,1.164186336,1.011863845,0.540832651,0.388139365,0.191164471,0.270913902,3.645038276,3.252378382,2.830059257,2.590330403,2.019849544,1.846451989,1.544683773,0.943918427,1.655255327,1.266151575,0.778626595,0.636815606,0.048944215,0.211730012,0.383363452,0.943918427,3.528849362,3.078569928,2.508655533,2.34228805,1.641521695,1.322758904,1.100430401,0.399277246,1.808182404,1.48536679,1.136264706,0.940010223,0.462354711,0.331514118,0.084200683,0.399277246,3.699334666,3.33049861,2.912083311,2.720828268,2.173288548,2.001184803,1.754127721,1.207644823,1.602830859,1.189075501,0.686432406,0.513468563,0.114759066,0.361971271,0.586630899,1.207644823,4.334638337,3.46084955,3.11164258,2.504799324,2.148749859,1.697049654,1.267114382,0.610169492,1.763287386,1.337137228,0.819155437,0.764522175,0.277562918,0.044427993,0.324596855,0.610169492,0,0,0,0,0,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.49279928,0.40824829,0.204124145,0.33322359,0.295411238,0.091287093,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.145884208,2.917181397,2.076421036,1.093148045,0.584086373,0.091287093,0,0,0.735126315,0.4861969,0.346070173,0.218629609,0.194695458,0.091287093,0,0,10.50759373,20.54552076,19.42745098,19.72,12.07012096,162.609612,0.500361606,0.978358131,0.925116713,0.939047619,0.574767665,7.743314856,1.4149,31.1578,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.646111111,0,8.46587963,0,0,0,0,0,0,0,0,0,0,0.646111111,0,0,0,0,0,0,0,0,0,0,0,0,0,1.753888889,0,0,0,0,0,0,0,0,0,0,0,4.190138889,0,2.672685185,0,0,0,0.50462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.46587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.646111111,0,8.46587963,0,0,0,0,0,0,0,0,0,0,0.646111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0.227777778,0,0,0,0,0,0,0,0,0,0,0,2.059027778,0,0.341111111,0,0,0,0.50462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.46587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.646111111,0,8.46587963,0,0,0,0,0,0,0,0,0,0,0.646111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.131111111,0,1.182268519,0,0,0,0.50462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.46587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.83333333,2.261904762,0.646111111,8.46587963,0.227777778,0.341111111,3.312841852,1.158888889,2.46587963,5.312037037,1.158888889,2.46587963,5.312037037,3.33333,0.47619,0,0.02381,0.46984,0.80952,0.42174,0.46984,0.74583,0.0481,0,-0.0481,0.06369,0.58823,0.12606,0,0.4,0.15,0,3.25,0.46429,3.25,0.46429,0,0,-3.25,-0.46429,0,0,6.23887,0.89127,7.07892,0.84005,0.12001,2.97948,0.42564,3.30805,0.32857,0.04694,0.10595,0.01514,0.10595,0.01514,0,6.01,1,1,1,1,1,1,1,1.115520094,1.911092835,3.177566232,3.653756708,3.653756708,3.140202668,23.42592197,40.13294954,66.72889087,76.72889087,76.72889087,65.94425603,0.253970737,0.435098981,0.723437294,0.831851698,0.831851698,0.714930722,3.276797329,2.481224587,1.214751191,0.738560714,0.738560714,1.252114755,0.258107046,0.442185245,0.735219597,0.845399698,0.845399698,0.726574482,9.935135927,16.76157504,20.13170624,20.61162292,20.61162292,14.44897444,25.72285013,17.71415401,15.1884632,13.96603805,13.96603805,12.82318091,7,4.166666667,3.84,7,0,5,2.01,1.0127,0.25,2.803965796,1.154700538,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,3.39,6,5,3,1,0,0,0,0,0,28,1.945910149,1.945910149,1.791759469,1.386294361,0.693147181,0,0,0,0,0,3.36729583,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,6,1,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,20.23,121.1225932,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,102.1044651,4.862117384,12.66537523,1.809339318,2.380891944,2.380891944,0,50,5,1.717,24,1.2214,2.117439986,2.860563569,3.471509124,4.317382645,5.370360985,6.460273514,0,0,0,77.91771384,77.05752146,76.47770095,68.79557432,64.36581014,22.76855545,6.564051348,0,0,0,269.3444456,317.9598092,329.771788,326.0548907,349.544993,238.5935383,200.8094909,0,0,0,9.169769619,15.48237673,20.54739328,25.27830329,31.16700602,38.76772242,43.40311503,0,0,0,1.986542612,2.574356076,2.832024349,2.889989652,3.307876659,2.664460168,2.872320973,0,0,0,178.525005,333.0542487,468.2984673,591.0119161,735.7860625,984.1747846,1194.61861,0,0,0,3.063804167,4.272411932,5.595011397,7.235159288,9.347351226,10.33039731,6.460273514,0,0,0,0.431093955,0.566902609,0.639838955,0.678247363,0.789037271,0.685207301,0.661532008,0,0,0,340.9201043,220.344813,12.02406842,164.4728719,-106.3027488,-21.60132268,176.4472323,326.6475619,33.6253911,0.674564389,0.43598709,0.023791523,0.325435611,-0.210336815,-0.042741636,172.2986261,111.3607208,6.076879726,83.12343425,-53.72466261,-10.91715676,0.324506723,0.611822031,4.041638164,21.23985212,458.222527,47.17044919,0.9066658,0.0933342,408.0877446,20.20118176,7.417391191,552.0501458,23.4957474,8.203380253,660.5166729,25.70051892,8.708859047,1.812916623,1.484442855,480.4889369,436.1075116,78.08278287,1.101767166,6.153583661,5.585194271,3.952782381,3.730373775,6.773216466,0.815693781,4.340044604,5.125389368,4.056549357,18.76066731,5.388505292,5.935240108,5.778403745,5.339675572,4.884013802,1.593451349,4.124103709,0.484708866,0.011680389,2.30E-23,8.71E-66,6.37E-130,8.98E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0.38413492,5.252196979,0.344322559,5.587626296,0.5856817,0.203537291,0.508499827,0.275297603,1.357986938,0.029795724,0.294427981,0.003539814,0.001305622,2.57E-24,9.73E-67,7.12E-131,1.00E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,1.120585269,5.015977329,0.868098021,6.883069329,0.892669369,0.803904655,1.125069569,0.962343812,1.69309122,0.164667725,0.603112471,0.035715566,0.002261775,4.45E-24,1.69E-66,1.23E-130,1.74E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,4.319606141,5.251917362,4.305695962,17.84408571,4.878690118,5.39156307,5.994856061,4.906989551,5.236058732,1.432525017,3.967463471,0.432287164,0.014670636,2.88E-23,1.09E-65,8.00E-130,1.13E-215,3.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,1.584635688,4.92622591,1.155349877,8.11069028,1.303347472,1.385579605,1.506813506,1.536922445,1.873603814,0.311976635,0.909995031,0.077311893,0.002239667,4.40E-24,1.67E-66,1.22E-130,1.72E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,5.421862594,5.205654931,5.442408134,24.11955186,7.60637756,8.198139774,7.939242319,7.08098587,6.447519559,2.263319339,5.77975975,0.706903621,0.017059309,3.35E-23,1.27E-65,9.30E-130,1.31E-215,3.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,3.914733033,5.490629948,4.882692439,13.01401056,2.559507561,2.931071279,6.319501027,2.564843473,6.667227006,0.638316305,3.315478988,0.182611918,0.026090261,5.13E-23,1.94E-65,1.42E-129,2.01E-215,4.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,4.164960277,1.142980243,0.574043344,0.708087675,0.194318834,0.524939774,0.451711001,0.427423047,5.881983865,7.80745524,16.42215368,0.562131512,1.404073822,4.250420933,0.604161242,0.165914215,0.846613682,0.120338946,0.549306264,0.122217759,0.033801302,5.02049639,3.373383779,8.819937849,0.769920523,0.705325325,3.885163105,0.852649004,0.338478457,0.765354752,0.167966942,0.457104237,0.24923217,0.146882801,5.076290567,4.916327786,11.11388932,0.648032127,0.853219207,4.260834874,1.115601512,0.556098283,0.718214914,0.188048039,0.549159031,0.429586697,0.397723571,5.932534669,7.74322087,16.31910968,0.57732237,1.376469299,3.816309376,0.957820469,0.416881586,0.735176454,0.184515192,0.441030408,0.316414239,0.226144821,5.191011431,5.645586057,12.36044111,0.602764681,0.983589468,4.233016368,1.173846054,0.600566829,0.704630249,0.195399064,0.542174001,0.476565479,0.467232937,6.007429251,8.216091781,17.20768329,0.556945373,1.485972417,4.270115412,1.118909382,0.557366876,0.718101943,0.188166109,0.551552817,0.432133828,0.399280935,5.94639167,7.781536111,16.39095548,0.577152915,1.38296758 +UMLYSI0289,L,pentyl formate,CCCCCOC=O,saturated esters,C6H12O2,638-49-3,12529,PubChem,,35.7,0,-0.9611,0.92371321,26.9898,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1302.629386,1061.376885,898.906268,702.149539,461.512846,274.878453,51.429168,3346.887898,3979.09551,4709.351098,4435.330232,3654.726637,2647.928293,1729.194362,987.8707177,339.2921252,152.568096,145.6753,259.461328,296.446116,265.94048,203.05558,140.030848,70.883676,48.568896,23.35516286,28.53615172,37.31975955,37.93465722,30.87189014,21.85036128,13.6996161,7.752279022,2.938142673,3350.680532,2804.677982,5484.216021,6835.916778,6097.165481,4618.210326,3144.767927,1506.037377,1110.305786,90.25,56,91.25,75,78.75,67.5,52.5,38,24,69.4856748,68.35965826,38.312629,25.8872411,24.96961856,26.00553848,25.63960256,30.54205033,8.571528,167.3443949,209.4260795,138.5103264,108.1787862,101.5201844,98.07141824,96.06635342,109.7634131,56.54868753,7.6284048,7.667121053,7.631215529,7.230393073,7.387235556,7.520577037,7.779491556,7.875964,8.094816,1.167758143,1.501902722,1.097639987,0.925235542,0.857552504,0.80927264,0.761089783,0.861364336,0.489690445,167.5340266,147.6146306,161.3004712,166.7296775,169.3657078,171.0448269,174.7093293,167.3374863,185.0509644,4.5125,2.947368421,2.683823529,1.829268293,2.1875,2.5,2.916666667,4.222222222,4,0.281561156,-0.1286447,-0.016974548,0.011903666,-0.008828436,0.00894104,-0.016882284,0.018807788,-0.009103105,715.056216,-13.739645,-219.57191,82.357173,19.063964,7.524355,-47.895218,-107.636427,-77.6304,931.2646053,-148.2416011,-340.7126186,3.893671327,20.70755114,19.16980356,105.6964699,-153.67302,27.52744109,1.9334688,0.00145024,0.43278064,0.13983456,-0.18289024,-0.27482048,-0.50658272,-0.23031456,-0.34619184,4.097118945,-1.072153629,-0.958217584,-0.396442652,-0.089456569,-0.093027659,0.774184927,-0.679282067,0.465835761,23.01673804,-6.548761719,-3.969168362,-2.827547441,-0.900470918,-0.957925282,4.497377012,-3.778668642,2.976796331,37.4375,2.171875,6.34375,3.703125,-4.125,-5.015625,-8.03125,-4.859375,-8.90625,0.014078058,-0.006770774,-4.99E-04,2.90E-04,-2.45E-04,3.31E-04,-9.38E-04,0.002089754,-0.001517184,35.7528108,-0.723139211,-6.457997353,2.008711537,0.529554556,0.278679815,-2.660845444,-11.959603,-12.9384,46.56323026,-7.80218953,-10.02095937,0.094967593,0.575209754,0.709992725,5.872026106,-17.07478,4.587906848,0.09667344,7.63E-05,0.012728842,0.003410599,-0.005080284,-0.010178536,-0.028143484,-0.025590507,-0.05769864,0.204855947,-0.056429138,-0.02818287,-0.009669333,-0.002484905,-0.003445469,0.043010274,-0.075475785,0.077639294,1.150836902,-0.344671669,-0.116740246,-0.068964572,-0.025013081,-0.035478714,0.249854278,-0.419852071,0.496132722,1.871875,0.114309211,0.186580882,0.090320122,-0.114583333,-0.185763889,-0.446180556,-0.539930556,-1.484375,-0.480945154,-0.035463089,0.020623108,-0.017419614,0.023522396,-0.066621736,0.148440524,-0.107769422,-0.02022608,-0.180629081,0.056183318,0.01481155,0.007794627,-0.074423392,-0.334508049,-0.361884834,-0.167561174,-0.21521186,0.00203954,0.012353304,0.015247927,0.12610865,-0.366700933,0.098530682,7.90E-04,0.131668454,0.035279587,-0.052550984,-0.105287826,-0.291119096,-0.264710831,-0.596840663,-0.275457653,-0.137574088,-0.047200646,-0.01213001,-0.016818984,0.209953747,-0.368433459,0.378994579,-0.299496539,-0.101439436,-0.059925583,-0.021734688,-0.030828621,0.217106593,-0.364823261,0.431106025,0.06106669,0.09967593,0.04825115,-0.061213133,-0.099239473,-0.23836023,-0.288443702,-0.792988314,1.430312936,0.882247414,0.552923737,0.822672707,1.019559002,1.570115577,1.634974053,1.672768599,1.04922138,1.161693645,0.783635595,0.87962963,0.934551671,1.109170716,1.401827506,1.492844703,1.505949528,1.258767011,0.954888009,0.87962963,0.832607538,0.638745451,1.248911307,0.425630356,0.713221749,0.829362993,0.51340411,0.87962963,1.155576195,1.783809033,1.733364292,2.770801887,1.749688453,1.223167445,0.997958162,0.87962963,0.827121207,0.497761217,1.24068181,0.021194022,1.787392882,1.195717252,0.992489548,0.87962963,0.838553501,0.503584319,1.257830251,7.93E-05,0.500834725,0.576549151,0.335762857,0.882860323,1.148951957,1.737525505,2.847709145,4.567612688,37.37317635,18.93658817,30.75538668,37.74817635,4.718522043,18.9365882,0.5,0.141546435,0.017693304,-1.564101963,37.77355059,4.721693823,2.90528731,37.38563491,18.94208303,30.76386362,37.75953327,4.719941659,18.94208305,0.498531158,0.141276875,0.017659609,-1.565626928,37.73195814,4.716494768,2.904405945,48.53263051,23.86732078,38.86024853,47.9341388,5.991767349,23.86732078,-0.797988956,0.059653666,0.007456708,-2.255359736,42.9634639,5.370432987,3.008280062,37.39871077,18.94785018,30.7727622,37.77145297,4.721431621,18.94785021,0.4969896,0.140994053,0.017624257,-1.567230051,37.68864804,4.711081005,2.903487149,60.48613711,29.16077429,48.27745397,58.86269571,7.357836964,29.16077429,-2.164588529,0.192102892,0.024012862,-1.319779322,30.40427588,3.800534485,2.731666602,38.67972086,19.51299461,31.65241045,38.93942214,4.867427767,19.51299463,0.346268372,0.113767447,0.014220931,-1.738879084,34.70213517,4.337766896,2.837440974,37.88011052,19.06855958,31.83547401,38.32401506,4.790501883,19.0685596,1.174603175,0.267035446,0.033379431,-1.056299098,35.96286972,4.495358715,2.865989608,0,11.98869857,16.00602438,-0.344471311,0.322598963,3.026520976,6.677991882,7,19,18,18,6,1,1,0,0,1,15.992484,3.467390736,3.222141175,2.838664661,2.271252469,1.672264893,1.232419906,0.961343988,0.401819721,1.856541697,1.545026891,1.207633657,1.016563029,0.728859674,0.545076231,0.083923071,0.083923071,3.447334228,3.08763043,2.788788341,2.272534741,1.695966782,1.311025879,0.607886596,0.375212603,1.805053307,1.52474828,1.259022124,0.948084763,0.601389925,0.392999582,0.270913902,0.270913902,3.605073454,3.34136822,3.033692126,2.568904255,2.091335151,1.784869552,1.230279208,1.030420898,1.602486405,1.242457314,0.943126837,0.579355666,0.133644642,0.139964125,0.943918427,0.943918427,3.46239978,3.069160125,2.76900396,2.304194721,1.750161744,1.39107117,0.460343948,0.417568966,1.777331461,1.529525269,1.259643063,0.892457123,0.517944718,0.290860265,0.399277246,0.399277246,3.656597269,3.366164282,3.086641651,2.677649237,2.245957194,1.979688948,1.20895283,1.208035068,1.546551246,1.19587965,0.907097981,0.470968407,0.022394711,0.333057178,1.207644823,1.207644823,4.936943719,3.499248536,3.214339376,2.697626247,2.12731551,1.719402178,1.485748002,1.095744193,1.730711547,1.306907911,0.822455783,0.526128984,0.349252576,0.140910962,0.6,0.6,0,0,0,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.222273975,2.967186437,1.674122638,0.93378347,0.483507928,0.195008329,0.082981826,0.024056261,0.652784247,0.423883777,0.27902044,0.186756694,0.120876982,0.065002776,0.041490913,0.024056261,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.3496,31.541,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,5,0,0,1,0,0,0,0,0,0,0,0,1,0,4,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.00078656,0.495694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.822050737,0,0,1.764726828,0,0,0.822050737,0,0,0,0,0,0,0,0,2.112013889,0,3.891505102,0,0.495694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.545786565,4.455,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.455,0.495694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.822050737,0,0,0.252411069,0,0,0.822050737,0,0,0,0,0,0,0,0,2.112013889,0,0.580694444,0,0.495694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.545786565,4.455,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.545786565,0.495694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.822050737,0,0,0.555902778,0,0,0.822050737,0,0,0,0,0,0,0,0,2.112013889,0,1.168866213,0,0.495694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.545786565,4.455,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.5,2.5625,0.822050737,9.545786565,0.252411069,0.495694444,2.926889904,1.504305556,2.545786565,7.225600907,1.504305556,2.545786565,7.225600907,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.22727,0,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,5.44545,0.68068,7.95768,2.51223,0.31403,2.80205,0.35026,3.91421,1.11216,0.13902,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,2.18149633,3.20869497,3.58418372,3.341446071,3.225349666,25.90923688,43.62992659,64.17389939,71.6836744,66.82892142,64.50699333,0.299741647,0.504750723,0.742422109,0.829302025,0.773137821,0.746275643,3.026466251,2.140431765,1.113233125,0.737744375,0.980482024,1.096578428,0.299741647,0.504750723,0.742422109,0.829302025,0.773137821,0.746275643,12.01211119,20.31476814,23.96333241,23.24254188,22.9979048,21.60474794,29.38046565,20.17128495,16.47566766,16.7354433,17.33942317,14.64968788,8,7,7.2,8,3,5,1.9,1.0284,0,1.850535862,0,0,4.832409738,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.428,0.418,0.582,0.072,3.381,6,5,4,3,2,1,0,0,0,36,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,3.784189634,1.194444444,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.714285714,6,0.857142857,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,26.3,127.2763612,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,116.0837296,5.804186481,14.83110795,1.853888494,5.24298904,5.24298904,0,84,5,1.924,26,1.231368421,2.119947947,2.848268186,3.595788528,4.914350514,5.945045935,7.289723222,8.118492875,0,0,94.69593269,88.67206778,88.92694042,113.9571781,149.5866272,176.5798963,245.3661798,73.92276961,0,0,279.3506994,311.792985,338.4373884,425.0080533,524.3354034,624.8588289,837.6004321,473.7004026,0,0,9.50598371,16.23897373,20.71050439,26.96455815,37.26181554,46.83032105,57.76352808,66.5073758,0,0,1.955273207,2.433003379,2.785729227,3.420263269,4.182914061,4.784264335,6.438590729,4.001411232,0,0,180.1544961,338.8997864,471.5555612,597.5141817,833.817225,1031.257393,1213.4184,1502.411422,0,0,3.723565789,5.829340832,5.473791208,8.593791345,12.94749164,18.48360909,32.2214746,34.19519495,0,0,0.448801579,0.568483766,0.642336119,0.823254453,1.055749249,1.26390749,1.717129025,1.276376053,0,0,288.9414393,228.2556269,17.24362211,107.7523738,-85.12135082,-22.2571113,181.1890656,313.3769777,39.50073341,0.728373949,0.575394976,0.043468341,0.271626051,-0.214576956,-0.056106525,114.6212813,90.54759499,6.840438208,42.74470003,-33.76711323,-8.829258349,0.314132104,0.402890714,8.989918248,6.402419521,296.9922941,99.701519,0.748668833,0.251331167,584.8273027,24.1832029,8.362623538,701.0717356,26.47775926,8.883569128,884.5614133,29.74157718,9.599368496,2.753922813,2.753922813,922.3029036,901.2748315,37.71585302,1.023331476,24.45398499,23.89644564,4.131521473,4.583698074,8.956059206,0.953893791,3.360032699,4.249551995,4.263042528,16.88301893,5.371420873,1.343519499,4.219432504,5.10796649,4.006944115,0.31861783,5.427690409,1.981427499,1.80438995,9.30E-04,1.069617028,0.059486059,1.648833135,2.83E-13,9.36E-48,5.97E-104,7.35E-182,1.74E-281,0,0,0,0,0,0,0,0,0.298491782,4.40053552,0.42443491,3.510544328,0.040041775,1.14056824,0.521723925,0.836533289,1.335595891,0.020783793,1.560096303,0.01411113,0.939043118,3.54E-04,0.036435714,0.079221286,0.184319695,3.16E-14,1.05E-48,6.67E-105,8.21E-183,1.95E-282,0,0,0,0,0,0,0,0,0.91615042,4.119451785,0.879859316,4.691537659,0.399910256,0.958094446,1.077849786,1.051191359,1.585455714,0.071007822,1.741479086,0.145642818,0.752559283,4.66E-04,0.142797912,0.042513804,0.319294912,5.48E-14,1.81E-48,1.16E-104,1.42E-182,3.38E-282,0,0,0,0,0,0,0,0,3.176711882,4.400117793,4.890953097,15.76461052,4.787361456,1.518713825,4.61292959,4.865801693,4.444207718,0.296646903,5.92131717,1.765857041,1.972630111,9.14E-04,0.992417344,0.079154914,2.070995622,3.55E-13,1.18E-47,7.50E-104,9.23E-182,2.19E-281,0,0,0,0,0,0,0,0,1.342655413,4.012648454,1.044742101,5.921140652,0.863219614,0.884016692,1.343638561,1.406261941,1.680622797,0.108623655,1.842464782,0.316015233,0.740087366,5.39E-04,0.241013209,0.028563805,0.316161632,5.42E-14,1.79E-48,1.14E-104,1.41E-182,3.34E-282,0,0,0,0,0,0,0,0,4.057749124,4.345015982,5.938136611,22.51707906,7.826503802,1.574263244,5.575176412,6.87590047,5.224375205,0.404216089,7.406617204,2.889629869,2.22021534,0.001076824,1.488631162,0.071944876,2.408135353,4.13E-13,1.37E-47,8.72E-104,1.07E-181,2.55E-281,0,0,0,0,0,0,0,0,2.07471548,4.236265609,5.592150037,9.227984653,1.939071566,2.682044593,3.886392853,3.869735105,4.221253215,0.15811182,7.806444366,0.714467662,3.357681206,9.94E-04,0.631596149,0.299776966,4.1550595,7.13E-13,2.36E-47,1.50E-103,1.85E-181,4.39E-281,0,0,0,0,0,0,0,0,6.858587105,0.71512829,0.413955308,0.858646702,0.089529015,0.497358985,0.564614003,0.499987563,7.987670702,8.039949352,18.05797549,0.787970053,1.56196055,8.742405129,0.266930369,0.071843483,0.962694948,0.029393801,0.81028016,0.069256308,0.015060072,9.081178982,2.980875472,12.22970937,0.944042422,0.89459654,7.191543873,0.45289386,0.210000589,0.915602565,0.057660884,0.546262004,0.219541273,0.128674745,7.854438323,4.862342494,13.40075401,0.873403847,0.894478022,7.216184652,0.690948991,0.390967846,0.869618751,0.083265912,0.550108049,0.521714691,0.445999503,8.29810149,8.077450517,18.32492375,0.804428126,1.517822243,6.632768243,0.539887992,0.281289421,0.88983319,0.072429827,0.464933133,0.320621927,0.230865527,7.453945656,5.598544245,14.05977379,0.834749785,1.016420587,6.923891278,0.745243518,0.436403191,0.854217362,0.091942511,0.506880002,0.613200398,0.555684299,8.105537987,8.506819993,18.86419194,0.781326043,1.675764699,7.295278047,0.693040328,0.394490324,0.870266555,0.082674,0.562265853,0.525617817,0.454072293,8.382808699,8.207236195,18.58455716,0.805399832,1.541955962 +UMLYSI0290,L,4-methyl-1-pentanol,CC(C)CCCO,saturated alcohols,C6H14O,626-89-1,12296,PubChem,,35.6,0,0.0918,0.00842724,28.908,20.697102,0,0,21,7,14,0,6,0,1,0,0,0,0,0,0,0,1135.777623,1087.00373,1197.024914,966.0696,711.911303,549.889962,134.18496,6.096384,0,3192.664609,3993.903654,5158.827299,5050.493661,3821.531785,2446.915326,1125.643694,186.5024666,0,152.653308,149.736848,269.497616,343.353288,338.539556,215.328312,158.402304,40.310784,0,23.60118467,30.29468402,42.62577832,45.5036717,36.47007055,22.57624187,11.2156643,2.667677429,0,3535.064551,2963.092506,5884.393485,7907.553832,8283.628171,5134.901391,3821.280232,1109.505912,0,66.52777778,49.16666667,73.91666667,87.66666667,77.66666667,64.33333333,53,6,0,54.08464871,54.3501865,32.3520247,20.12645,14.83148548,18.3296654,6.38976,1.016064,0,152.0316481,199.6951827,139.4277648,105.2186179,79.61524551,81.56384419,53.60208067,31.08374443,0,7.269205143,7.4868424,7.283719351,7.1531935,7.052907417,7.1776104,7.542966857,6.718464,0,1.123865937,1.514734201,1.152048063,0.94799316,0.759793137,0.752541396,0.534079252,0.444612905,0,168.3364072,148.1546253,159.0376617,164.7407048,172.5755869,171.1633797,181.9657253,184.917652,0,3.167989418,2.458333333,1.997747748,1.826388889,1.618055556,2.144444444,2.523809524,1,0,0.229304521,-0.101527711,-0.025673425,0.001703393,-0.001537696,0.042796451,-0.059696473,0.0292832,0,638.6281311,-66.44114433,-168.4094321,-246.8520195,141.4202727,51.04794637,-119.3648327,89.28514396,0,965.983639,-78.0117429,-238.0469756,-443.0394635,182.0202546,-107.41638,67.72303022,133.7794577,0,1.082321143,-0.089402612,-0.139741633,-0.088792327,0.062259673,0.104772082,-0.443918286,0.053662531,0,4.253148428,-0.249912087,-0.887478714,-1.955543458,0.566138725,-1.0930259,0.977910588,0.515336633,0,23.45618849,-1.219488698,-4.55940872,-10.59788206,2.652709346,-6.97878402,6.304567884,2.670192022,0,24.14550265,-3.284076594,-1.997102545,-2.983371126,-0.197656841,5.072562358,-9.744708995,1.061602419,0,0.010919263,-0.005076386,-6.94E-04,3.55E-05,-3.20E-05,0.001426548,-0.002842689,0.004880533,0,30.41086339,-3.322057216,-4.551606272,-5.142750406,2.946255681,1.701598212,-5.684039653,14.88085733,0,45.9992209,-3.900587145,-6.433702044,-9.229988822,3.792088638,-3.580545999,3.224906201,22.29657628,0,0.051539102,-0.004470131,-0.003776801,-0.00184984,0.001297077,0.003492403,-0.021138966,0.008943755,0,0.202530878,-0.012495604,-0.023985911,-0.040740489,0.011794557,-0.036434197,0.046567171,0.085889439,0,1.116961357,-0.060974435,-0.123227263,-0.22078921,0.055264778,-0.232626134,0.300217518,0.445032004,0,1.14978584,-0.16420383,-0.053975744,-0.062153565,-0.004117851,0.169085412,-0.464033762,0.176933736,0,-0.464901853,-0.063546081,0.003249978,-0.002933837,0.130645116,-0.260337095,0.446965464,0,-0.109239161,-0.149670406,-0.16910899,0.096881685,0.05595363,-0.186908197,0.489327026,0,-0.084796809,-0.139865457,-0.200655329,0.082438106,-0.077839275,0.070107844,0.48471639,0,-0.0867328,-0.0732803,-0.035891974,0.025166844,0.067762196,-0.410153944,0.17353339,0,-0.06169728,-0.118430886,-0.201156926,0.058235845,-0.179894528,0.229926278,0.424080712,0,-0.054589565,-0.110323658,-0.197669515,0.049477789,-0.208266949,0.268780577,0.398430976,0,-0.142812534,-0.046944172,-0.054056645,-0.003581407,0.147058179,-0.403582776,0.15388408,0,1.383709561,0.796897151,0.676067793,0.644138606,0.866387886,2.58964651,1.516082288,0,1.420617299,1.221657735,1.099671167,0.70472951,0.828998072,1.185959199,0,0,1.575881923,1.316090631,1.208699111,0.723167653,0.907105135,0.468773782,0,0,1.044336986,0.887599872,0.702451706,0.656801361,0.935535021,2.99818415,0,0,1.628819317,1.32928372,1.221848215,0.72886818,0.987174269,0.237642907,0,0,1.633454525,1.323894358,1.214726149,0.729165529,1.012588414,0.222017396,0,0,1.113618933,0.85256397,0.724772653,0.6773173,0.864358497,2.997699134,0,0,29.66449674,14.95724837,23.6123693,29.84306816,4.263295452,14.95724929,0.25,0.043397013,0.006199573,-2.196155261,26.00977814,3.715682591,2.280930785,29.66784253,14.95855406,23.61432589,29.84588937,4.263698482,14.95855498,0.249265579,0.043494036,0.006213434,-2.194592012,26.00621874,3.715174105,2.280834984,32.6589369,16.12997121,25.47717889,32.37394085,4.624848692,16.12997147,-0.398994478,0.133772237,0.01911032,-1.408131653,24.82278872,3.546112675,2.248233492,29.67135408,14.95992444,23.6163797,29.84885037,4.264121481,14.95992536,0.2484948,0.043595878,0.006227983,-2.192954866,26.00248947,3.714641353,2.280734598,35.87350841,17.39560707,27.75251268,35.10044107,5.014348725,17.39560714,-1.082294264,0.231278551,0.033039793,-1.024892713,28.14122825,4.020175464,2.336064989,30.01527156,15.09420287,23.81895801,30.13893883,4.30556269,15.09420366,0.173134186,0.053630199,0.007661457,-2.047950064,25.66833843,3.66690549,2.271680785,32.60822736,16.59462294,26.77870801,33.02324058,4.717605798,16.59462313,0.581018519,7.10E-05,1.01E-05,-6.686919871,31.24321653,4.463316647,2.409261597,0,11.99635526,15.9979425,-0.421715799,0.069690856,3.945672893,7.386444776,6,20,20,20,6,0,0,0,0,0,15.304898,3.48997068,3.093449991,2.416155756,2.333552793,1.685955218,1.192579226,0.966100217,0.083923071,1.894454831,1.581017223,1.249629723,1.093680622,0.672765952,0.391219326,0.375505736,0.083923071,3.508261891,3.0741952,2.405454588,2.364439973,1.649795988,1.185774009,1.086269058,0.270913902,1.839541916,1.532351235,1.134540686,1.037751482,0.577687683,0.321602042,0.219519247,0.270913902,3.639103577,3.281167384,2.704236987,2.687991864,2.091941861,1.738825052,1.583911167,0.943918427,1.655266714,1.267855482,0.76031856,0.6523163,0.076192779,0.289682175,0.333181538,0.943918427,3.526756477,3.088902818,2.457539916,2.380119072,1.683382594,1.219863026,1.165136858,0.399277246,1.805139914,1.502884801,1.058262671,1.002244018,0.517000105,0.248857659,0.112131353,0.399277246,3.69641357,3.346308939,2.838982085,2.777830572,2.227907372,1.911453955,1.790902962,1.207644823,1.60070147,1.200264244,0.631337262,0.555343085,0.068920562,0.457210971,0.534614908,1.207644823,4.33334772,3.512988579,2.936603862,2.67396874,2.160507155,1.604634853,1.300450247,0.610169492,1.760875869,1.338408986,0.843460265,0.747823715,0.258879909,0.034941199,0.32420978,0.610169492,0,0,0,0,0,3,2,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.204124145,0.288675135,0.204124145,0.091287093,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,5.145884208,2.879176595,2.259682173,0.939588297,0.499535383,0.182574186,0,0,0.735126315,0.479862766,0.376613696,0.234897074,0.166511794,0.091287093,0,0,10.50759373,20.54552076,19.42745098,19.72,12.07012096,162.609612,0.500361606,0.978358131,0.925116713,0.939047619,0.574767665,7.743314856,1.4149,31.1578,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.680833333,0,8.315138889,0,0,0,0,0,0,0,0,0,0,0.680833333,0,0,0,0,0,0,0,0,0,0,0,0,0,1.719166667,0,0,0,0,0,0,0,0,0,0,0,4.324722222,0,2.450740741,0,0,0,0.742731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.315138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.680833333,0,8.315138889,0,0,0,0,0,0,0,0,0,0,0.680833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0.227777778,0,0,0,0,0,0,0,0,0,0,0,2.162361111,0,0.345416667,0,0,0,0.742731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.315138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.680833333,0,8.315138889,0,0,0,0,0,0,0,0,0,0,0.680833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.162361111,0,1.149305556,0,0,0,0.742731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.315138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.83333333,2.261904762,0.680833333,8.315138889,0.227777778,0.345416667,3.365197917,1.154583333,2.315138889,5.279722222,1.154583333,2.315138889,5.279722222,3.33333,0.47619,0,0.02381,0.46984,0.80952,0.42174,0.46984,0.74583,0.0481,0,-0.0481,0.06369,0.58823,0.12606,0,0.4,0.15,0,3.25,0.46429,3.25,0.46429,0,0,-3.25,-0.46429,0,0,6.2317,0.89024,7.02591,0.79421,0.11346,2.93179,0.41883,3.27005,0.33826,0.04832,0.14395,0.02056,0.14395,0.02056,0,6.01,1,1,1,1,1,1,1,1.115520094,1.911092835,3.082328137,3.177566232,3.141619208,2.854488382,23.42592197,40.13294954,64.72889087,66.72889087,65.97400337,59.94425603,0.253970737,0.435098981,0.701754413,0.723437294,0.715253226,0.64988208,3.276797329,2.481224587,1.309989286,1.214751191,1.250698215,1.53782904,0.258107046,0.442185245,0.713183577,0.735219597,0.726902239,0.660466421,9.935135927,16.76157504,18.9888491,18.03795863,19.04860412,14.16102443,25.72285013,17.71415401,16.55550172,17.39213361,16.37293352,13.51519942,7,4.166666667,6,7,0,5,2.01,1.0127,0.5,2.080083823,2,0,2.381101578,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,3.39,6,4,3,2,0,0,0,0,0,28,1.945910149,1.945910149,1.609437912,1.386294361,1.098612289,0,0,0,0,0,3.36729583,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,6,1,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,20.23,121.1225932,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,102.1044651,4.862117384,12.67036528,1.810052182,2.392938984,2.392938984,0,52,4,1.928,24,1.2214,2.117439986,2.861133919,3.459004846,4.476194145,5.410363794,5.662568257,0,0,0,77.91771384,77.05752146,66.68763279,65.2489723,98.64527152,36.66065166,5.753531753,0,0,0,269.3444456,317.9598092,321.2098473,311.439076,400.2079129,296.9007233,176.0138245,0,0,0,9.169769619,15.48237673,20.52854687,24.63170022,32.49145182,41.19610185,38.04376098,0,0,0,1.986542612,2.574356076,2.821392386,2.833170293,3.546805381,2.900086647,2.517650922,0,0,0,178.525005,333.0542487,468.5263636,590.2388468,758.5958267,984.6408283,1047.108827,0,0,0,3.057458333,4.364815978,5.383819071,6.054967244,10.63037118,14.35480081,5.662568257,0,0,0,0.431093955,0.566902609,0.630864988,0.649893316,0.864960347,0.797174304,0.57984699,0,0,0,347.6230849,224.6601735,13.30312601,150.9709612,-97.56878591,-21.45113253,196.6521237,322.2289595,34.75425853,0.697206651,0.450587357,0.026681277,0.302793349,-0.195687828,-0.043023242,173.3228004,112.0142249,6.632859421,75.27322239,-48.64721574,-10.69540696,0.324511221,0.612286491,5.678472636,23.34844308,442.9623061,55.63173995,0.888422775,0.111577225,408.0877446,20.20118176,7.417391191,552.0501458,23.4957474,8.203380253,643.7682665,25.37258888,8.634619182,1.721722863,1.721722863,520.8133451,472.9007853,79.72891924,1.101316304,6.53230158,5.931358281,4.074824111,3.730373775,6.773218952,0.815694448,4.340044604,5.125397377,4.087264184,18.10569213,5.20052962,3.145100029,5.840147795,7.138576556,4.216995123,1.076343482,4.009009289,0.484708897,0.011680389,2.30E-23,8.71E-66,6.37E-130,8.98E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0.38413492,5.252197035,0.344538882,5.547643956,0.535344918,0.112773185,0.505490939,0.338656681,1.907951617,0.029498473,0.344508452,0.003539818,0.001305622,2.57E-24,9.73E-67,7.12E-131,1.00E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,1.120585269,5.015977917,0.870352305,6.802547443,0.85665544,0.416466841,1.125643526,1.177189557,1.88876255,0.130554933,0.653091832,0.035715572,0.002261775,4.45E-24,1.69E-66,1.23E-130,1.74E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,4.319606141,5.251924498,4.333062315,17.12142965,4.691720329,2.856543435,6.037874698,6.63798641,4.519736473,0.983448288,4.0422812,0.432287203,0.014670636,2.88E-23,1.09E-65,8.00E-130,1.13E-215,3.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,1.584635688,4.926227187,1.160246494,8.011425795,1.264568013,0.718996595,1.515586108,1.88805734,1.953049154,0.230570324,0.907352434,0.077311899,0.002239667,4.40E-24,1.67E-66,1.22E-130,1.72E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,5.421862594,5.205666612,5.487202835,23.14487849,7.337861114,4.360828171,8.029230377,9.648672679,5.287778769,1.509233299,5.612927022,0.706903665,0.017059309,3.35E-23,1.27E-65,9.30E-130,1.31E-215,3.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,3.914733033,5.46120596,4.866934062,12.5739298,2.326041493,1.543273501,6.345775656,3.999416288,6.672295451,0.505145878,4.177068911,0.182611991,0.026090261,5.13E-23,1.94E-65,1.42E-129,2.01E-215,4.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,4.231985466,1.213158466,0.56028489,0.704693302,0.202010298,0.548685757,0.488870621,0.395557973,6.005428822,8.184900867,17.06687097,0.557039953,1.433114351,4.635596944,0.625073926,0.156232394,0.855765133,0.115393223,0.656515288,0.128031256,0.030615325,5.416903263,3.719477981,9.589078787,0.7836477,0.815161869,4.032605189,0.893233098,0.328802351,0.767436913,0.169989379,0.499426162,0.266438979,0.136994961,5.254640639,5.221683639,11.6606889,0.651155369,0.902860102,4.374995104,1.18116264,0.541685998,0.717465925,0.19370169,0.585570133,0.461099484,0.369106981,6.097843743,8.177273623,17.07432351,0.576198888,1.415776599,3.882251899,1.009717874,0.407285911,0.732603243,0.190539565,0.46382906,0.342398932,0.210670299,5.299255684,5.912409499,12.80821745,0.598904864,1.016898291,4.303497571,1.246857496,0.58600055,0.701311632,0.203191858,0.566947698,0.515170516,0.432003529,6.136355617,8.618359331,17.89910495,0.551967448,1.514121744,4.37952655,1.186097679,0.542836932,0.716960693,0.19417291,0.586742884,0.464817602,0.370338069,6.108461162,8.21577266,17.14402539,0.57544104,1.421898555 +UMLYSI0291,L,sec-butyl acetate,CCC(C)OC(=O)C,saturated esters,C6H12O2,105-46-4,7758,PubChem,,34.9,0,-0.317,0.100489,29.823,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1665.310272,1271.028958,1072.379205,598.75507,136.264464,9.144576,0,3346.887898,3979.09551,4811.759811,4690.9639,4204.867177,3115.632119,1400.716757,279.7536999,0,152.568096,145.6753,259.529088,299.492104,247.804644,245.198656,171.896256,60.466176,0,23.35516286,28.53615172,36.05132568,35.7429129,33.88913274,27.72705513,14.95476339,4.001516144,0,3350.680532,2804.677982,5510.40668,6416.210774,5388.903916,5568.78656,4248.052897,1664.258868,0,92.05555556,55.5,102.8055556,105,87.66666667,90.5,48,9,0,69.4856748,68.35965826,48.97971388,33.44813047,32.49633955,18.14409303,5.677686,1.016064,0,167.3443949,209.4260795,141.5223474,123.4464184,127.4202175,94.41309452,58.36319819,31.08374443,0,7.6284048,7.667121053,7.633208471,7.881371158,7.509231636,7.430262303,7.162344,6.718464,0,1.167758143,1.501902722,1.060333108,0.940602971,1.026943416,0.840213792,0.623115141,0.444612905,0,167.5340266,147.6146306,162.0707847,168.847652,163.3001187,168.7511079,177.002204,184.917652,0,4.602777778,2.921052632,3.02369281,2.763157895,2.656565657,2.742424242,2,1,0,0.25862017,-0.169646469,0.119099412,-0.087112325,0.006147884,0.005036984,-0.009764405,0.006928834,0,715.056216,-13.739645,207.0144,-302.050418,-193.062027,-283.253618,20.2032,207.36,0,931.2646053,-148.2416011,-73.40650956,20.86738854,-248.3468147,-348.1974972,67.81525326,263.877478,0,1.9334688,0.00145024,0.92317824,-1.26888752,-0.34619952,-0.41636192,-0.06894576,0.20903184,0,4.097118945,-1.072153629,-1.242228696,1.19256624,-0.95718731,-1.21272841,0.35307745,0.890094883,0,23.01673804,-6.548761719,-7.93812355,7.836929569,-5.078831321,-6.153876271,1.97081614,4.403478133,0,37.60555556,-2.2225,16.34555556,-16.22,-3.165833333,-11.8825,-5.46,3.8025,0,0.012931008,-0.008928762,0.003502924,-0.00229243,1.86E-04,1.53E-04,-4.07E-04,7.70E-04,0,35.7528108,-0.723139211,6.088658824,-7.948695211,-5.850364455,-8.58344297,0.8418,23.04,0,46.56323026,-7.80218953,-2.159014987,0.549141804,-7.525661051,-10.55143931,2.825635552,29.31971978,0,0.09667344,7.63E-05,0.027152301,-0.033391777,-0.010490895,-0.012617028,-0.00287274,0.02322576,0,0.204855947,-0.056429138,-0.036536138,0.031383322,-0.029005676,-0.036749346,0.01471156,0.098899431,0,1.150836902,-0.344671669,-0.233474222,0.206234989,-0.153903979,-0.186481099,0.082117339,0.489275348,0,1.880277778,-0.116973684,0.480751634,-0.426842105,-0.095934343,-0.360075758,-0.2275,0.4225,0,-0.690492277,0.270893326,-0.177281579,0.014407192,0.011803864,-0.031463147,0.059536763,0,-0.02022608,0.170298745,-0.222323645,-0.163633693,-0.240077431,0.023545002,0.644424857,0,-0.167561174,-0.04636738,0.011793465,-0.161622401,-0.226604539,0.060683839,0.629675382,0,7.90E-04,0.280866194,-0.345407972,-0.108518891,-0.130511833,-0.029715918,0.240249649,0,-0.275457653,-0.17835039,0.153197027,-0.141590598,-0.179391159,0.071814173,0.482775496,0,-0.299496539,-0.202873423,0.179204358,-0.133732225,-0.162039555,0.071354454,0.425147427,0,-0.062210853,0.255681176,-0.227010131,-0.051021367,-0.191501363,-0.120992761,0.224700842,0,1.66685611,0.808254396,1.579360084,1.08462672,0.749781425,0.427635531,0.003853305,0,1.04922138,0.822280044,1.298673862,1.10581804,1.141149838,0.775321898,0,0,1.505949528,1.079571068,0.869272634,1.168374667,1.113928537,0.680549035,0,0,0.713221749,0.690981198,1.848022063,0.970189355,1.011829196,0.72183231,0,0,1.749688453,1.236300892,0.718320683,1.17174128,1.049372292,0.588698136,0,0,1.787392882,1.265421994,0.714603061,1.164726008,1.026825868,0.564127468,0,0,0.624169006,0.436103604,1.312786231,0.917988423,1.64651016,1.19995568,0,0,30.34254511,15.42127256,22.99034473,30.71754511,3.839693139,15.42127327,0.5,0.129316158,0.01616452,-1.636396026,31.30778316,3.913472895,2.755093384,30.35599609,15.42726362,23.00090056,30.72989446,3.841236807,15.42726434,0.498531158,0.129074431,0.016134304,-1.637892847,31.28901736,3.911127171,2.754613722,42.35931368,20.78066236,32.73291739,41.76082197,5.220102746,20.78066237,-0.797988956,0.005539479,6.92E-04,-4.156683905,27.8825165,3.485314563,2.662399875,30.37011345,15.43355153,23.01198087,30.74285565,3.842856956,15.43355223,0.4969896,0.128821056,0.016102632,-1.639464803,31.26943417,3.908679271,2.754112861,55.17617614,26.5057938,43.36508449,53.55273474,6.694091843,26.5057938,-2.164588529,0.068322446,0.008540306,-2.146813543,29.30202517,3.662753146,2.702125306,31.75269679,16.04948258,24.10404829,32.01239807,4.001549758,16.04948295,0.346268372,0.105557206,0.013194651,-1.798801786,29.79829358,3.724786697,2.715560904,31.07475421,15.8115015,23.76028333,31.62267087,3.952833859,15.81150208,1.095833333,0.3264425,0.040805312,-0.895601166,91.09818092,11.38727262,3.609550269,0,11.89,15.99591765,-0.312821028,0.301814154,3.800340138,7.249879972,7,19,18,18,6,1,1,0,0,1,15.992484,3.537915916,3.2023319,2.690360159,2.155317052,1.908085029,1.503681662,0.75305803,0.083923071,1.814082549,1.550338226,1.422006365,0.912386027,0.601584655,0.366678626,0.083923071,0.083923071,3.44704754,3.143457568,2.733091431,2.091705536,1.89910231,1.385524973,0.540356094,0.270913902,1.789615968,1.53694468,1.326301961,0.830384804,0.661102634,0.311767687,0.270913902,0.270913902,3.631390927,3.342465157,2.973245117,2.465624107,2.265252459,1.849240977,1.1638499,0.943918427,1.574586079,1.281157862,1.011258951,0.406467726,0.228735589,0.192055262,0.943918427,0.943918427,3.441774973,3.132387561,2.77051678,2.09801264,1.924525429,1.408869565,0.447529025,0.399277246,1.784435286,1.526913123,1.26398311,0.798709339,0.63376867,0.258941177,0.399277246,0.399277246,3.658161394,3.383315465,3.079784439,2.555296241,2.38454821,1.968432405,1.208671216,1.207644823,1.533686824,1.240045594,0.909121874,0.302489988,0.131319474,0.335450644,1.207644823,1.207644823,4.753337692,3.481334081,2.956980648,2.802395636,2.427466254,1.926182438,1.187349906,0.571428571,1.685867671,1.234644752,1.127325701,0.58415353,0.189756853,0.143844712,0.571428571,0.571428571,0,0,1,0,0,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0.696923425,0,0,0,0.25,0,0,0,0.691044062,0.902368927,0.666666667,0.298112522,0.282820571,0.185395406,6.568914101,3.66390246,3.142969116,1.570696873,0.971404521,0.333333333,0,0,0.821114263,0.523414637,0.39287114,0.261782812,0.194280904,0.166666667,0,0,5.600953631,2.836655892,1.828298262,0.942063073,0.36665101,0.117354024,0,0,0.700119204,0.405236556,0.228537283,0.157010512,0.073330202,0.058677012,0,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.348,31.519,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,54,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.95125,-0.195046296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.616597222,0.5125,0,0,0,0,0,0,0,0,0,0,5.278935185,0,0.888472222,0,0,0,0.076388889,0,0,-0.195046296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.19083333,4.760416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.760416667,-0.195046296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.307222222,0.5125,0,0,0,0,0,0,0,0,0,0,1.422777778,0,0.888472222,0,0,0,0.076388889,0,0,-0.195046296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.19083333,4.760416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.19083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,1.979768519,0,0.888472222,0,0,0,0.076388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.19083333,4.760416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21,2.625,0.620486111,10.19083333,0.194444444,-0.195046296,2.768710417,1.861712963,3.190833333,8.9025,1.861712963,3.190833333,8.9025,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.5,0.27273,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,6.13107,0.76638,8.9638,2.83273,0.35409,2.57318,0.32165,3.66389,1.0907,0.13634,0.25011,0.03126,0.25011,0.03126,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,2.070950594,3.20869497,3.50869497,3.50869497,2.97650216,25.90923688,41.41901189,64.17389939,70.17389939,70.17389939,59.5300432,0.299741647,0.479172848,0.742422109,0.811835573,0.811835573,0.688697751,3.026466251,2.2509775,1.113233125,0.813233125,0.813233125,1.345425935,0.299741647,0.479172848,0.742422109,0.811835573,0.811835573,0.688697751,12.01211119,21.71746765,23.96333241,24.26567992,24.26567992,17.01607952,29.38046565,17.93632218,16.47566766,15.81239862,15.81239862,14.18020581,8,3.9375,5,8,3,4,1.9,1.0284,0.766309432,1.5,2.941682753,0,0,1.154700538,0,0.5,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.426,0.519,0.065,3.13,8,6,5,2,0,0,0,0,0,36,2.197224577,2.397895273,2.079441542,2.079441542,1.386294361,0,0,0,0,0,3.784189634,1.194444444,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,5,0.666666667,2.5,0.666666667,0.5,0.16,0,0,0,0,0,0,0.357142857,0.083333333,0.083333333,0.032,0,0,0,0,0,0,0.555809524,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,26.3,127.2763612,4,3.433987204,4.077537444,4.828313737,5.493061443,6.248042875,6.918695219,7.673688129,8.34640487,9.100860271,71.12059119,2.708050201,0,3.850147602,0,5.141663557,0,6.49677499,0,7.884199934,8.176110342,116.0837296,5.804186481,14.49663423,1.812079278,5.17334911,5.17334911,0,71,6,1.482,30,1.230631579,2.107274472,2.868786331,3.572923052,4.235906435,5.295609368,6.768843635,0,0,0,94.58963281,114.2563264,103.1358012,124.0326616,88.47172712,32.79941627,6.877578339,0,0,0,279.0386343,319.8275619,371.6481475,480.6879955,437.591709,330.796601,210.4010056,0,0,0,9.500427541,16.24151738,22.64811621,26.87202948,31.33045462,37.9881691,45.47623228,0,0,0,1.953218228,2.341015381,2.800043528,3.826741396,3.83356677,3.479142858,3.009515231,0,0,0,180.0610686,338.2901678,481.4830976,580.2277726,704.2353511,928.7282482,1251.678672,0,0,0,3.684438596,6.764190896,8.038537356,9.260218649,11.43803334,10.75539421,6.768843635,0,0,0,0.448387105,0.576547612,0.699930745,0.893192715,0.902912607,0.82763307,0.693129588,0,0,0,348.8530511,247.3579556,11.11564818,170.2032842,-120.6844437,-17.97513664,178.6497669,368.0423992,29.09078482,0.672090922,0.476553196,0.021415109,0.327909078,-0.232507409,-0.034630416,181.0743863,128.3927139,5.769647611,88.34509296,-62.64202508,-9.330108551,0.364668176,0.441123,1.169768882,5.050198254,471.848727,47.20760834,0.909051089,0.090948911,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,1029.738284,32.08953543,10.09816091,1.736034584,1.712662037,494.0838615,432.060916,107.3291386,1.143551391,4.6034457,4.025569586,3.921131776,4.208298788,7.348219106,0.746125804,3.360032699,4.293005079,2.506830202,13.66246765,6.075533544,5.602246086,5.000208074,4.086617002,2.930608161,3.48013499,2.76135769,4.005941798,0.508819785,0.199769211,7.10E-19,4.87E-58,6.44E-119,1.64E-201,8.08E-306,0,0,0,0,0,0,0,0,0,0,0,0.298491782,4.443993348,0.197429297,6.819799707,1.240938587,1.545297308,2.194353966,0.472133546,0.16257907,0.269172056,1.067167878,0.126661854,0.003583749,0.001406991,5.00E-21,3.43E-60,4.54E-121,1.16E-203,5.69E-308,0,0,0,0,0,0,0,0,0,0,0,0.91615042,4.162909296,0.536870966,5.838032333,1.646054899,2.076431208,2.151225763,0.977170536,0.412289055,0.625102517,1.315510465,0.546944588,0.037344724,0.01466193,5.21E-20,3.57E-59,4.73E-120,1.21E-202,5.93E-307,0,0,0,0,0,0,0,0,0,0,0,3.176711882,4.443571398,2.513382461,14.82918974,6.468447577,5.381392569,5.107980624,4.358920494,2.680012157,3.778693708,2.623156233,3.637009084,0.45334933,0.177990771,6.33E-19,4.34E-58,5.74E-119,1.46E-201,7.20E-306,0,0,0,0,0,0,0,0,0,0,0,1.342655413,4.056105554,0.762791086,5.750583313,1.870043448,2.498231494,2.328305421,1.246955648,0.6788939,0.805964888,1.514933004,0.945779663,0.08111751,0.031847671,1.13E-19,7.76E-59,1.03E-119,2.62E-202,1.29E-306,0,0,0,0,0,0,0,0,0,0,0,4.057749124,4.388466877,3.297455734,17.38075166,8.397378326,7.050830786,6.053201535,5.45254505,4.058173802,4.87531485,3.312209898,5.521180612,0.742065543,0.29134462,1.04E-18,7.10E-58,9.39E-119,2.40E-201,1.18E-305,0,0,0,0,0,0,0,0,0,0,0,2.084250981,4.176183676,1.58194475,21.6640594,5.170273007,3.895937417,6.178529089,4.957835285,1.474276928,4.715362255,2.204619439,1.726197192,0.166145618,0.065230763,2.32E-19,1.59E-58,2.10E-119,5.37E-202,2.64E-306,0,0,0,0,0,0,0,0,0,0,0,4.990495304,1.138361588,0.52761431,0.749720859,0.171015776,0.509354668,0.450462236,0.481824896,6.656471201,8.914660757,18.5685026,0.624581288,1.441641801,3.672505083,0.731508658,0.203462556,0.797075198,0.158765582,0.285936218,0.184987745,0.061655747,4.607476297,3.582521158,8.736593359,0.695612797,0.53257971,4.331173344,0.865439462,0.328607191,0.783891564,0.15663439,0.386323409,0.260611132,0.189695051,5.525219998,5.45601267,12.21297346,0.675837346,0.836629592,4.856361458,1.119154581,0.516029341,0.748105601,0.172401873,0.483171041,0.436202732,0.466272104,6.49154538,8.518560778,17.81473552,0.622158401,1.385645876,4.641286965,0.945913426,0.38483762,0.777169696,0.158390389,0.441325586,0.310991108,0.257749577,5.97203801,6.540420553,14.2019941,0.665754544,1.010066271,5.044605853,1.171804958,0.552701758,0.745238878,0.173110573,0.520376354,0.477339435,0.528764099,6.76911257,9.347115336,19.38341058,0.617858316,1.526479888,4.90900327,1.129598841,0.522343205,0.748215849,0.172170135,0.493888255,0.444390055,0.477979686,6.560945316,8.699427185,18.15687234,0.622323773,1.416257996 +UMLYSI0292,L,isobutyl acetate,CC(C)COC(=O)C,saturated esters,C6H12O2,110-19-0,8038,PubChem,,34.8,0,0.5033,0.25331089,30.6961,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1621.430308,1203.965249,847.95216,816.150476,245.0952,18.289152,0,3346.887898,3979.09551,4899.824225,4643.246774,3570.567584,2868.375069,1962.172413,559.5073998,0,152.568096,145.6753,259.389256,293.345948,292.218312,156.107072,162.393984,120.932352,0,23.35516286,28.53615172,36.92210936,36.93989672,30.00232075,22.59436852,17.90497835,8.003032287,0,3350.680532,2804.677982,5515.919437,6245.455709,6817.206589,3386.191035,3503.329189,3328.517736,0,92.05555556,55.75,100.8333333,105.0555556,84.83333333,65,69,18,0,69.4856748,68.35965826,47.68912671,31.68329603,21.74236308,38.86430838,11.6712,1.016064,0,167.3443949,209.4260795,144.1124772,122.1907046,91.55301496,136.589289,93.43678159,31.08374443,0,7.6284048,7.667121053,7.629095765,7.719630211,7.492777231,7.433670095,7.733046857,6.718464,0,1.167758143,1.501902722,1.085944393,0.972102545,0.769290276,1.07592231,0.852618017,0.444612905,0,167.5340266,147.6146306,162.2329246,164.3540976,174.8001689,161.2471921,166.8251995,184.917652,0,4.602777778,2.934210526,2.965686275,2.764619883,2.175213675,3.095238095,3.285714286,1,0,0.263116967,-0.162117433,0.082071018,-0.026709359,-0.062814774,0.067153598,-0.04315207,0.014010537,0,715.056216,-13.739645,163.134436,-427.438063,92.5056,-5.036836,-581.6736,414.72,0,931.2646053,-148.2416011,14.65790436,-550.1561811,454.5628667,-108.20832,-656.0019276,527.7549561,0,1.9334688,0.00145024,0.78334624,-0.78457312,-0.62124336,0.00120896,-0.76498704,0.41806368,0,4.097118945,-1.072153629,-0.37144502,-2.134537625,2.527921306,-0.81440452,-1.96412975,1.780189767,0,23.01673804,-6.548761719,-2.425366892,-11.36133107,14.29870308,-5.009766563,-9.268802119,8.806956266,0,37.60555556,-1.9725,14.92333333,-13.13944444,-7.264166667,3.3725,-22.3275,7.605,0,0.013155848,-0.008532496,0.002413853,-7.03E-04,-0.001610635,0.00319779,-0.00205486,7.78E-04,0,35.7528108,-0.723139211,4.798071647,-11.24837008,2.371938462,-0.239849333,-27.69874286,23.04,0,46.56323026,-7.80218953,0.431114834,-14.47779424,11.65545812,-5.152777144,-31.23818703,29.31971978,0,0.09667344,7.63E-05,0.023039595,-0.020646661,-0.015929317,5.76E-05,-0.036427954,0.02322576,0,0.204855947,-0.056429138,-0.010924854,-0.056172043,0.064818495,-0.038781168,-0.093529988,0.098899431,0,1.150836902,-0.344671669,-0.07133432,-0.298982397,0.366633412,-0.238560313,-0.441371529,0.489275348,0,1.880277778,-0.103815789,0.438921569,-0.345774854,-0.186260684,0.160595238,-1.063214286,0.4225,0,-0.648570602,0.183481399,-0.053427027,-0.122427318,0.243069872,-0.156193688,0.059164801,0,-0.02022608,0.134201243,-0.314614986,0.066342713,-0.006708545,-0.774729098,0.644424857,0,-0.167561174,0.009258697,-0.310927617,0.250314638,-0.110661935,-0.670876716,0.629675382,0,7.90E-04,0.238323942,-0.213571184,-0.164774492,5.96E-04,-0.376814503,0.240249649,0,-0.275457653,-0.053329443,-0.274202646,0.316410121,-0.189309455,-0.456564671,0.482775496,0,-0.299496539,-0.061984735,-0.259795629,0.318579819,-0.207292895,-0.383522225,0.425147427,0,-0.055213007,0.233434429,-0.183895623,-0.099060195,0.085410379,-0.565455965,0.224700842,0,1.626284851,0.877557017,1.196300779,1.140924346,0.913269383,0.955461509,0.003601188,0,1.04922138,0.856572671,1.328570774,0.865319738,0.928224413,1.772164338,0,0,1.505949528,1.026726295,1.272401598,0.536946093,1.167607284,1.555540651,0,0,0.713221749,0.731396338,1.395831678,1.258537333,0.705180983,1.649902423,0,0,1.749688453,1.117530992,1.251115475,0.412504144,1.279633595,1.345595739,0,0,1.787392882,1.13157774,1.250004176,0.406007317,1.293015694,1.289434213,0,0,0.617521052,0.458393802,1.19995568,0.942295381,1.082666779,2.742755841,0,0,31.73089566,16.11544783,25.06810706,32.10589566,4.013236958,16.11544819,0.5,0.106231617,0.013278952,-1.793706803,33.77855069,4.222318836,2.815860805,31.74443601,16.12148359,25.07874471,32.11833438,4.014791798,16.12148394,0.498531158,0.106035978,0.013254497,-1.79518146,33.73686129,4.217107662,2.814872837,43.80026493,21.50113799,34.79157075,43.20177322,5.400221652,21.50113799,-0.797988956,0.010577105,0.001322138,-3.639250784,26.56475504,3.32059438,2.623668271,31.75864707,16.12781833,25.08991028,32.13138927,4.016423658,16.12781869,0.4969896,0.10583087,0.013228859,-1.796730423,33.69348351,4.211685439,2.813843561,56.64329581,27.23935364,45.37979737,55.01985441,6.877481802,27.23935364,-2.164588529,0.070159726,0.008769966,-2.125584669,27.08061285,3.385076606,2.639054463,33.14989579,16.74808208,26.18767968,33.40959707,4.176199633,16.74808226,0.346268372,0.086798165,0.010849771,-1.955335841,30.73574876,3.841968595,2.740341145,33.03058453,16.78871298,26.51903109,33.57850119,4.197312649,16.7887132,1.095833333,0.266467366,0.033308421,-1.058002797,25.22851187,3.153563983,2.582379823,0,11.89,15.99591765,-0.31559545,0.301600005,3.721746516,7.131568055,7,19,18,18,6,1,1,0,0,1,15.992484,3.522630065,3.258381157,2.470312104,2.333552793,2.062972223,1.228347023,0.873294474,0.083923071,1.831605205,1.558431985,1.249629723,1.157459134,0.490035191,0.378655302,0.083923071,0.083923071,3.452165883,3.182733654,2.444405098,2.405454588,1.95884205,1.177468332,0.601748242,0.270913902,1.795518836,1.559749519,1.134540686,1.094828256,0.61826556,0.235747272,0.270913902,0.270913902,3.62505275,3.385882231,2.743244102,2.704236987,2.338630486,1.645015008,1.224475737,0.943918427,1.588670208,1.304440663,0.76031856,0.728433467,0.201931579,0.298174876,0.943918427,0.943918427,3.455494751,3.162900118,2.464136652,2.457539916,1.941228911,1.243819504,0.459576293,0.399277246,1.782501309,1.55946311,1.058262671,1.050414563,0.640585386,0.136603837,0.399277246,0.399277246,3.659147047,3.417434266,2.839146137,2.838982085,2.401923931,1.826262654,1.208936353,1.207644823,1.54205472,1.271648549,0.631337262,0.631185395,0.143853842,0.485243556,1.207644823,1.207644823,4.75330429,3.481806505,2.959777136,2.700638745,2.612600818,1.77309196,1.248289134,0.571428571,1.709567043,1.239126283,0.898315104,0.884192385,0.048058989,0.106894073,0.571428571,0.571428571,0,0,1,0,0,4,0,1,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.491581624,0,0,0,0.577350269,0.333333333,0.666666667,0.225592232,0.117354024,0.185395406,6.568914101,3.625897658,3.365043969,1.321367205,0.666666667,0.666666667,0,0,0.821114263,0.51798538,0.420630496,0.264273441,0.166666667,0.166666667,0,0,5.600953631,2.759872254,2.196432708,0.619929799,0.284020691,0.234708048,0,0,0.700119204,0.394267465,0.274554088,0.12398596,0.071005173,0.058677012,0,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.2055,31.471,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,56,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.79032407,-0.195648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.547083333,0.5125,0,0,0,0,0,0,0,0,0,0,5.424861111,0,0.537037037,0,0,0,0.443425926,0,0,-0.195648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.12597222,4.664351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.664351852,-0.195648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.307222222,0.5125,0,0,0,0,0,0,0,0,0,0,1.419027778,0,0.537037037,0,0,0,0.443425926,0,0,-0.195648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.12597222,4.664351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.12597222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,2.002916667,0,0.537037037,0,0,0,0.443425926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.12597222,4.664351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21,2.625,0.635763889,10.12597222,0.243055556,-0.195648148,2.818434259,1.862314815,3.125972222,8.592314815,1.862314815,3.125972222,8.592314815,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.5,0.27273,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,6.04835,0.75604,8.87961,2.83126,0.35391,2.51961,0.31495,3.62588,1.10628,0.13828,0.28812,0.03601,0.28812,0.03601,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,2.070950594,3.10869497,3.00869497,2.946439345,2.67650216,25.90923688,41.41901189,62.17389939,60.17389939,58.92878689,53.5300432,0.299741647,0.479172848,0.719284287,0.696146466,0.681741871,0.619284287,3.026466251,2.2509775,1.213233125,1.313233125,1.37548875,1.645425935,0.299741647,0.479172848,0.719284287,0.696146466,0.681741871,0.619284287,12.01211119,21.71746765,22.76333241,21.56333241,22.59980713,16.71373201,29.38046565,17.93632218,17.86882451,19.26198137,18.27863607,14.84347485,8,3.9375,7.2,8,3,3,1.9,1.0284,0.814325285,1.310370697,3,0,0,1.414213562,0,0.333333333,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.426,0.519,0.065,3.13,8,5,4,4,0,0,0,0,0,36,2.197224577,2.397895273,1.945910149,1.791759469,1.945910149,0,0,0,0,0,3.784189634,1.194444444,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,5,0.666666667,2.5,0.666666667,0.25,0.32,0,0,0,0,0,0,0.357142857,0.083333333,0.05,0.08,0,0,0,0,0,0,0.57047619,19.11148449,29.84147255,38.22296899,4.777871123,19.11148451,1.11E-15,1.39E-16,-27.54737238,28.15755615,3.519694518,2.670252594,26.3,127.2763612,4,3.433987204,4.043051268,4.779123493,5.424950017,6.150602768,6.814542897,7.529943371,8.204398418,8.912338567,70.292938,2.708050201,0,3.850147602,0,5.105945474,0,6.408528791,0,7.738488122,8.049746291,116.0837296,5.804186481,14.50192071,1.812740089,5.187384288,5.187384288,0,74,5,1.319,30,1.230631579,2.106969338,2.891394189,3.534280412,4.70866819,5.445084558,6.043125667,0,0,0,94.58963281,111.4719746,98.19792716,89.49677329,193.5969383,63.67120234,6.140202438,0,0,0,279.0386343,327.0398364,369.304079,358.3677751,673.8222885,516.863806,187.8429738,0,0,0,9.500427541,16.20575331,22.3546341,26.49594064,35.05156906,41.85973882,40.60052224,0,0,0,1.953218228,2.41165857,2.902557631,2.93763535,5.258026931,4.743423404,2.686851657,0,0,0,180.0610686,338.2248173,472.7925657,611.1885011,753.7051487,903.0653125,1117.480609,0,0,0,3.700763158,6.618384046,8.072776514,7.67289162,14.75681212,17.37342364,6.043125667,0,0,0,0.448387105,0.580936933,0.714285757,0.712590466,1.226809629,1.156212646,0.618816068,0,0,0,365.9441333,265.5177252,12.41733603,148.2352149,-107.5548792,-17.59424438,217.7089184,373.0726045,30.0115804,0.711705234,0.516391267,0.024149815,0.288294766,-0.20917775,-0.034218108,188.1609159,136.5237309,6.384737744,76.21948616,-55.30249769,-9.046597104,0.356033055,0.434911676,1.948236147,2.526701316,461.8310716,52.34827657,0.898190628,0.101809372,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,991.881167,31.49414496,9.972863652,1.643851874,1.643851874,552.7014709,477.7378699,114.048935,1.156913667,4.846178273,4.188884972,4.103894073,4.208298788,7.348221114,0.746126281,3.360032699,4.293013073,3.504398044,12.93381634,3.824305707,4.264564764,4.413597623,5.729413631,2.008295237,5.120155455,3.136939542,4.009776634,0.515527032,0.199769212,7.10E-19,4.87E-58,6.44E-119,1.64E-201,8.08E-306,0,0,0,0,0,0,0,0,0,0,0,0.298491782,4.443993404,0.304848237,6.166463103,0.285963536,1.480691179,2.239329552,0.616584963,0.332639884,0.343977924,1.082407555,0.126688863,0.003630989,0.001406991,5.00E-21,3.43E-60,4.54E-121,1.16E-203,5.69E-308,0,0,0,0,0,0,0,0,0,0,0,0.91615042,4.162909882,0.708127691,5.93816184,0.553551875,1.886736894,1.902006801,1.260705174,0.633779091,0.823708076,1.375433557,0.547226043,0.037836998,0.01466193,5.21E-20,3.57E-59,4.73E-120,1.21E-202,5.93E-307,0,0,0,0,0,0,0,0,0,0,0,3.176711882,4.443578521,3.785973304,13.53020203,4.140046848,4.052629791,4.668539044,5.685817906,1.921683843,5.449326303,2.966464908,3.640425854,0.459325366,0.177990771,6.33E-19,4.34E-58,5.74E-119,1.46E-201,7.20E-306,0,0,0,0,0,0,0,0,0,0,0,1.342655413,4.056106829,0.918748019,6.170155128,0.702175944,2.21223836,1.883870222,1.732457344,0.854203784,1.098051951,1.614101992,0.946391022,0.082186795,0.031847671,1.13E-19,7.76E-59,1.03E-119,2.62E-202,1.29E-306,0,0,0,0,0,0,0,0,0,0,0,4.057749124,4.388478536,4.794092697,16.0412393,5.55395065,5.163870431,5.649292984,7.600812534,2.418609724,7.255431511,3.818881215,5.526773361,0.751847432,0.291344621,1.04E-18,7.10E-58,9.39E-119,2.40E-201,1.18E-305,0,0,0,0,0,0,0,0,0,0,0,2.084250999,4.145853739,2.727349975,16.56119818,3.066735376,2.640305289,5.839345454,4.835976509,1.496275855,6.371391772,2.380750416,1.727449384,0.168335739,0.065230763,2.32E-19,1.59E-58,2.10E-119,5.37E-202,2.64E-306,0,0,0,0,0,0,0,0,0,0,0,5.246219739,1.235661534,0.504843958,0.750883936,0.17685847,0.535022762,0.460545602,0.437019916,6.986725231,9.754890527,20.01429293,0.626325904,1.432588279,4.146190481,0.841072677,0.168310457,0.804215164,0.163138525,0.36357879,0.216882457,0.044682374,5.155573615,4.326656069,10.06916991,0.706322746,0.625143621,4.661931703,0.970242092,0.301703296,0.785646826,0.163508963,0.430144192,0.294516089,0.157611902,5.933877091,6.222447766,13.52098992,0.678470239,0.882272183,5.133749376,1.229215348,0.489004931,0.749237027,0.179395912,0.515063629,0.46206025,0.411499455,6.851969655,9.42200465,19.35983186,0.623855541,1.388623334,4.924704547,1.034956281,0.364324296,0.778734366,0.163655711,0.473396442,0.327852502,0.229974862,6.323985124,7.268103142,15.44899598,0.668101549,1.031223805,5.296809362,1.271467903,0.529225181,0.746292009,0.179143003,0.545205995,0.486758455,0.479582267,7.097502445,10.21082081,20.87250831,0.619438014,1.511546717,5.189226436,1.247441552,0.493780921,0.748757621,0.179994336,0.526571189,0.476516444,0.41982378,6.930448909,9.651560528,19.77838008,0.623136431,1.422911413 +UMLYSI0293,L,1-heptanol,CCCCCCCO,saturated alcohols,C7H16O,111-70-6,8129,PubChem,,34.7,0,-1.8374,3.37603876,27.7335,23.790688,0,0,24,8,16,0,7,0,1,0,0,0,0,0,0,0,1282.073872,1255.482027,1269.667442,1096.280185,899.523456,702.766727,506.009998,309.253269,68.616576,3678.349,4646.893789,5847.246998,5555.374775,4548.57643,3541.778085,2534.97974,1528.181395,609.4474637,173.630752,171.512628,312.203408,403.84318,340.95828,278.07338,215.18848,152.30358,89.278848,27.27931048,35.31067264,49.30704418,50.51161213,41.49008327,32.46855441,23.44702555,14.42549669,6.274751507,4031.694211,3396.131957,6803.128771,9577.279613,8098.324457,6619.369302,5140.414147,3661.458992,2188.016594,69.5,53.25,82,92.75,80.5,68.25,56,46,28,53.41974467,54.58617509,29.52714981,19.2329857,18.740072,18.01965967,16.86699993,14.72634614,5.718048,153.2645417,202.0388604,135.9824883,97.46271534,94.76200895,90.81482268,84.49932466,72.77054261,50.78728864,7.234614667,7.457070783,7.260544372,7.08496807,7.1032975,7.130086667,7.172949333,7.252551429,7.439904,1.136637937,1.535246636,1.146675446,0.886168634,0.864376735,0.832527036,0.781567518,0.686928414,0.522895959,167.9872588,147.6579112,158.212297,168.0224493,168.7150929,169.727418,171.3471382,174.3551901,182.3347162,2.895833333,2.315217391,1.906976744,1.627192982,1.677083333,1.75,1.866666667,2.19047619,2.333333333,0.23422019,-0.100500037,-0.036151223,0.015317434,0.001218892,-3.25E-04,0.001101928,0.009991179,-0.022238554,719.4334713,-66.68627803,-330.9127355,6.899156917,6.650654667,6.402152417,6.153650167,5.905147917,-38.22331833,1116.273633,-77.08945916,-535.474034,-15.57450322,-16.11276376,-16.6510243,-17.18928484,-17.72754538,69.79860801,1.103039333,-0.085166694,-0.168148806,0.001834917,-0.011047333,-0.023929583,-0.036811833,-0.049694083,-0.202408333,4.928582618,-0.238116022,-2.198702575,-0.164751029,-0.176523279,-0.188295529,-0.200067779,-0.211840029,0.647171397,27.13388615,-1.139693072,-11.64763235,-1.063558012,-1.150417154,-1.237276296,-1.324135437,-1.410994579,4.014902938,24.125,-2.265625,-3.078125,-0.234375,-0.625,-1.015625,-1.40625,0.453125,-4.3125,0.009759175,-0.004369567,-8.41E-04,2.69E-04,2.54E-05,-8.34E-06,3.67E-05,4.76E-04,-0.001853213,29.97639464,-2.899403393,-7.695645011,0.121037841,0.138555306,0.164157754,0.205121672,0.28119752,-3.185276528,46.51140137,-3.351715616,-12.45288451,-0.273236899,-0.335682578,-0.426949341,-0.572976161,-0.844168828,5.816550667,0.045959972,-0.0037029,-0.003910437,3.22E-05,-2.30E-04,-6.14E-04,-0.001227061,-0.002366385,-0.016867361,0.205357609,-0.010352871,-0.051132618,-0.002890369,-0.003677568,-0.00482809,-0.006668926,-0.01008762,0.05393095,1.130578589,-0.049551873,-0.270875171,-0.018658912,-0.023967024,-0.031725033,-0.044137848,-0.067190218,0.334575245,1.005208333,-0.098505435,-0.071584302,-0.004111842,-0.013020833,-0.026041667,-0.046875,0.021577381,-0.359375,-0.447739385,-0.086147257,0.027535824,0.002602023,-8.54E-04,0.003763733,0.048751094,-0.18989442,-0.096722886,-0.256723502,0.004037772,0.004622147,0.005476234,0.006842773,0.009380632,-0.106259494,-0.072062237,-0.267738321,-0.005874622,-0.007217211,-0.009179456,-0.012319047,-0.018149718,0.125056448,-0.080567929,-0.085083544,7.00E-04,-0.005007679,-0.013350292,-0.026698474,-0.051487954,-0.367001116,-0.050413864,-0.248993053,-0.014074808,-0.017908118,-0.023510648,-0.032474696,-0.049122214,0.262619681,-0.043828773,-0.239589864,-0.016503862,-0.021198901,-0.028060883,-0.039040053,-0.05942994,0.295932762,-0.097995044,-0.071213399,-0.004090537,-0.012953368,-0.025906736,-0.046632124,0.021465581,-0.357512953,1.381718422,0.828787797,0.625325174,0.742327597,0.885462938,1.105764364,1.490610313,2.763608866,1.429336028,1.343124862,0.877429919,0.880680036,0.885430207,0.89303048,0.907145274,1.059334331,1.565389987,1.450601719,0.931556197,0.912948594,0.885752868,0.842239706,0.761429547,0.408195593,1.046221984,0.896314829,0.658815971,0.761739231,0.912165533,1.152847617,1.599828629,2.960256479,1.609800468,1.462780562,0.93870688,0.919021253,0.890249953,0.844215872,0.758724008,0.20635702,1.613537024,1.455782063,0.935624336,0.917969701,0.892166772,0.850882086,0.774210526,0.193124932,1.067357513,0.870225328,0.648122898,0.759715026,0.922811213,1.183765112,1.566247224,3.018998273,42.48709673,21.36854836,34.33554652,42.67459673,5.334324591,21.36854837,0.25,0.026442077,0.00330526,-2.906238975,32.41425447,4.051781809,2.782878623,42.49055838,21.36991198,34.33738072,42.67750756,5.334688445,21.36991198,0.249265579,0.026366456,0.003295807,-2.908530151,32.41470502,4.051838128,2.782889743,45.59183388,22.5964197,36.05016183,45.29258802,5.661573503,22.5964197,-0.398994478,0.045129354,0.005641169,-2.478577896,33.99712175,4.249640219,2.821020693,42.49419154,21.37134317,34.33930598,42.68056264,5.33507033,21.37134317,0.2484948,0.026287078,0.003285885,-2.910942225,32.41518044,4.051897554,2.782901476,48.94014198,23.92892386,38.07908047,48.12842128,6.01605266,23.92892386,-1.082294264,0.129907654,0.016238457,-1.632745149,41.32360035,5.165450044,2.977147019,42.85010128,21.51161773,34.52877247,42.97995192,5.37249399,21.51161773,0.173134186,0.018462125,0.002307766,-3.193627169,32.47459035,4.059323794,2.784366359,43.19116698,21.8723519,35.63541465,43.57803714,5.447254642,21.8723519,0.666666667,0.049030935,0.006128867,-2.412243082,31.51939443,3.939924304,2.760482442,0,11.99632008,15.99794276,-0.421717899,0.069694442,3.925936268,7.072083046,7,23,23,23,7,0,0,0,0,0,17.491312,3.47923154,3.209375271,2.800799701,2.317078995,1.84269165,1.459693306,1.210418922,1.087789485,1.89924711,1.692270782,1.394089279,1.075449867,0.80799391,0.625297673,0.522761132,0.386555579,3.500131869,3.214648134,2.791487588,2.30550781,1.847402788,1.493989684,1.274163402,1.150489225,1.841902294,1.634505071,1.3308993,0.996533616,0.705012548,0.498881902,0.377554493,0.310420957,3.635178241,3.392324152,3.031022138,2.617818484,2.235721419,1.949726151,1.775704535,1.696649022,1.653666861,1.398604846,1.026837041,0.614433349,0.24752735,0.016514197,0.170354484,0.302066818,3.519984514,3.234198449,2.812701631,2.333224704,1.888359642,1.552449604,1.349633218,1.188277253,1.805843483,1.59890016,1.291438242,0.945839971,0.637736362,0.416135083,0.284288219,0.224190009,3.694974615,3.459236918,3.112379941,2.723025841,2.372305389,2.116626437,1.963587356,1.889010991,1.596713361,1.332222006,0.943828179,0.506436584,0.107857153,0.186863414,0.363482819,0.476108219,4.463725308,3.524828235,3.215418904,2.753974605,2.2671409,1.87203543,1.615858514,1.481709136,1.745082837,1.462432272,1.084416278,0.705512373,0.394791955,0.184000202,0.068949375,0.35958517,0,0,0,0,0,2,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.689854283,3.523334547,2.13782036,1.261667274,0.715356789,0.380833637,0.180901699,0.055901699,0.711231785,0.503333507,0.356303393,0.252333455,0.178839197,0.126944546,0.09045085,0.055901699,12.04942153,23.43335761,22.15294118,22.48,13.86867545,185.6378671,0.502059231,0.9763899,0.923039216,0.936666667,0.577861477,7.734911128,1.9491,35.8448,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,1,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.672577948,0,8.365586735,0,0,0,0,0,0,0,0,0,0,0.672577948,0,0,0,0,0,0,0,0,0,0,0,0,0,1.927422052,0,0,0,0,0,0,0,0,0,0,0,2.193398526,0,6.441014739,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.365586735,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.672577948,0,8.365586735,0,0,0,0,0,0,0,0,0,0,0.672577948,0,0,0,0,0,0,0,0,0,0,0,0,0,0.215625,0,0,0,0,0,0,0,0,0,0,0,2.193398526,0,0.364795918,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.365586735,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.672577948,0,8.365586735,0,0,0,0,0,0,0,0,0,0,0.672577948,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.193398526,0,1.319444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.365586735,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17,2.125,0.672577948,8.365586735,0.215625,0.364795918,4.052117268,1.135204082,2.365586735,5.117970522,1.135204082,2.365586735,5.117970522,3.83333,0.47917,0,0.02083,0.46528,0.79583,0.42308,0.46528,0.74074,0.0422,0,-0.0422,0.05509,0.60209,0.1122,0,0.21739,0,0,3.75,0.46875,3.75,0.46875,0,0,-3.75,-0.46875,0,0,7.14985,0.89373,7.95768,0.80783,0.10098,3.57596,0.44699,3.91421,0.33826,0.04228,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7.01,1,1,1,1,1,1,1,1.099483982,1.659420859,2.721251836,3.29248125,2.949082295,2.499389676,26.38761556,39.82610061,65.31004406,79.01955001,70.77797509,59.98535221,0.239802175,0.361926811,0.593516705,0.718104292,0.643207506,0.545127616,3.485478519,2.925541642,1.863710665,1.29248125,1.635880205,2.085572825,0.243057129,0.366839423,0.601572801,0.727851477,0.65193808,0.552526902,9.670323248,13.91786482,18.12753149,18.7032308,15.2176179,16.41764807,29.54361368,24.51273134,20.03946055,18.97180469,24.17506436,22.36747185,8,7,7.2,8,0,7,2.12,1.1536,0,2.00414513,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.385,0.375,0.449,0.205,4.117,6,5,4,3,2,1,0,0,0,36,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,3.610917913,1,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.714285714,7,1,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,20.23,138.4185778,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,116.1201151,4.83833813,14.83110795,1.853888494,2.407741475,2.407741475,0,84,5,2.558,26,1.225086957,2.124259878,2.838356739,3.542403556,4.881352326,5.852296869,7.143172415,8.090561263,8.837503877,0,78.47908308,69.97358886,66.93026899,87.16740974,105.4882278,118.690191,120.5258865,49.96596852,8.979469539,0,273.3612548,308.34121,304.4637562,397.8634424,487.8308722,548.4978845,551.5572066,424.7850266,274.7027119,0,9.161889003,15.47385376,20.18023296,25.46858752,35.01958546,42.3600692,52.16591132,60.81849746,59.37445165,0,2.019873764,2.552268335,2.665522919,3.447334408,4.319961069,4.889762611,5.062530455,4.270911448,3.92926827,0,178.4547259,332.8418455,473.6158538,584.4948996,820.526504,991.3101569,1238.939486,1474.284701,1634.210467,0,2.899336957,4.146271642,4.77962083,6.512730952,8.992704925,11.71504645,16.64102079,20.02247302,8.837503877,0,0.435339417,0.560454603,0.593679478,0.774540596,0.98683158,1.147102106,1.258236422,1.155357207,0.904960397,0,388.0843112,273.4018307,14.42758563,186.4764887,-131.3709726,-23.95888556,201.6078225,404.7728033,38.38647119,0.67544516,0.475844908,0.025110633,0.32455484,-0.228645902,-0.041699478,222.9780322,157.0859746,8.289525141,107.1420805,-75.48061109,-13.76583645,0.297695222,0.561690384,5.209231805,21.41905162,518.9290599,55.63173995,0.903175191,0.096824809,470.1693138,21.68338797,7.77591361,633.5057871,25.16954086,8.588490946,721.0264856,26.85193635,8.96706682,2.966041242,2.966041242,1010.737323,986.6523385,47.43123151,1.024410812,21.30953152,20.80174406,4.423954433,4.846860776,9.235840186,0.905530324,4.897845711,6.073904917,4.189851995,24.43769867,9.321140303,0.093808589,5.216149611,5.205462777,12.30747278,0.759977047,2.036993361,8.156202902,3.900071536,2.877963626,0.850773236,2.820709962,1.707535462,0.001864257,8.73E-26,7.88E-70,1.37E-135,4.61E-223,0,0,0,0,0,0,0,0,0.430947302,6.200672169,0.367323691,5.337835517,0.068174359,0.02377278,0.708687566,0.190361173,3.457492895,0.02388801,0.223834882,0.511630274,0.12544108,1.137097059,0.053653101,0.500706697,0.012831598,2.08E-04,9.75E-27,8.81E-71,1.53E-136,5.15E-224,0,0,0,0,0,0,0,0,1.271701343,5.964455295,0.93456392,6.613897209,0.69060555,0.019022899,1.415034682,0.77691668,4.460085299,0.103399118,0.387044741,1.720456931,0.537913753,1.351242509,0.18489236,0.635382192,0.126247527,3.61E-04,1.69E-26,1.53E-70,2.66E-136,8.92E-224,0,0,0,0,0,0,0,0,4.846124884,6.200428508,4.439657392,22.58804268,8.306706922,0.091395291,5.554742352,4.743801452,12.18527442,0.689888609,1.90749705,7.61019227,3.542346628,3.120835361,0.790841085,3.003750986,1.524187826,0.002341575,1.10E-25,9.90E-70,1.72E-135,5.79E-223,0,0,0,0,0,0,0,0,1.807352978,5.874707403,1.245432525,8.227503005,1.493874597,0.021861029,1.788419687,1.309362831,5.223289843,0.178985278,0.563329868,2.642918764,0.927364227,1.448650274,0.284328078,0.752864121,0.272467746,3.57E-04,1.67E-26,1.51E-70,2.63E-136,8.83E-224,0,0,0,0,0,0,0,0,6.095488213,6.154188978,5.564856497,33.20891616,13.58577219,0.131091226,6.781224701,7.090380065,15.79528822,1.047897671,2.731029485,10.50267156,5.368387291,3.567357978,1.085315732,3.851204808,2.490296022,0.002722763,1.27E-25,1.15E-69,2.00E-135,6.73E-223,0,0,0,0,0,0,0,0,4.446299697,6.86840021,5.442598181,14.29146164,3.781534885,0.094467908,6.95218651,2.512793522,11.68226621,0.35657622,1.348000535,5.062602326,1.837395254,4.578529083,0.470053213,4.441182013,0.70703743,0.004529679,2.12E-25,1.91E-69,3.33E-135,1.12E-222,0,0,0,0,0,0,0,0,8.131448218,0.805448688,0.482603756,0.863256823,0.08550864,0.562424309,0.65388613,0.583322213,9.419500662,10.86244431,23.44274105,0.794885235,1.799632651,8.611482394,0.308096468,0.100471155,0.954704506,0.034156847,0.630770045,0.095663988,0.025281911,9.020050016,3.549327694,12.83594449,0.932056759,0.751715945,7.82068439,0.521003767,0.260415622,0.909159502,0.060567017,0.520609099,0.273754598,0.169848292,8.602103778,6.246911934,15.91010677,0.863739253,0.964211989,8.323065464,0.783042162,0.466553964,0.869461997,0.081799837,0.589146446,0.617525009,0.545168665,9.572661591,10.76580179,23.37914074,0.804192996,1.751840121,7.631028687,0.616748037,0.333458287,0.889269281,0.07187171,0.495755176,0.383487937,0.278490349,8.581235011,7.456711465,17.60734188,0.833903921,1.157733462,8.233326449,0.837391443,0.508051905,0.859539025,0.087421606,0.576531136,0.706363606,0.646462424,9.578769797,11.50291262,24.58445496,0.789308537,1.929357166,8.349613265,0.784551728,0.4679794,0.869557145,0.081705887,0.59289223,0.619789345,0.548505001,9.602144393,10.82530457,23.49304326,0.804335718,1.761186576 +UMLYSI0294,L,dipropyl carbonate,CCCOC(=O)OCCC,other multi-oxygen compounds,C7H14O3,623-96-1,69344,PubChem,,34.5,0,0.0095,9.02E-05,34.688,24.061102,0,0,24,10,14,0,7,0,3,0,0,0,0,0,0,0,1791.977746,1707.375661,2021.884657,1695.840656,1487.847327,1307.271014,727.237227,466.155986,281.592025,4048.963065,4814.027747,5652.850004,5219.452856,4461.610941,3861.427021,3296.942181,2702.016388,2068.222976,186.897256,179.978332,323.471668,347.185136,304.445532,202.162232,220.090476,168.475592,186.21226,27.67649267,33.44192034,42.39289057,40.23479038,31.0003439,26.34874699,25.47072193,24.72432358,21.03814958,4032.761478,3417.609734,6716.337424,7756.454498,6417.838271,3879.661717,4567.245378,3876.645596,4616.702266,107.2777778,68.33333333,135.75,108.1666667,122.0833333,104.5,87.25,37,37,74.66573942,74.23372439,49.31425993,36.86610122,40.21208992,54.46962558,26.93471211,19.42316608,10.42933426,168.7067944,209.3055542,137.8743903,113.4663664,120.5840795,160.8927925,122.1089697,112.5840162,76.60085098,7.787385667,7.82514487,7.889552878,7.547502957,8.228257622,8.423426333,8.151499111,7.019816333,6.89675037,1.153187194,1.453996537,1.033972941,0.874669356,0.837847132,1.097864458,0.943360072,1.030180149,0.779190725,168.0317283,148.5917276,163.8131079,168.618576,173.4550884,161.6525715,169.1572362,161.5268998,170.9889728,4.469907407,2.971014493,3.31097561,2.351449275,3.29954955,4.354166667,3.231481481,1.541666667,1.37037037,0.42481138,-0.363576798,0.211260128,0.023629546,-0.112127174,0.072080171,-0.066256393,0.007163774,0.011447234,901.5466378,12.17184199,67.27073545,316.0387155,-175.6392059,-399.1094353,-636.5974461,-144.4873003,147.5348947,1095.445567,-201.3408284,-249.7453131,182.1529802,283.7983006,-365.9071256,-266.503048,-309.2677351,53.72358804,2.791973333,-0.043538778,2.069392556,-0.062745556,-1.886063889,-1.297481333,-1.723818333,0.312510667,0.547655,4.800803462,-1.685495644,-0.916741893,-0.637234657,2.00595915,-1.23666206,0.756557925,-1.277060965,-0.133136129,27.1880115,-10.57236742,-3.618058223,-6.099263959,11.29820456,-6.606285321,6.784337393,-6.582786684,-1.131793817,41.71759259,-1.060378086,22.41994599,2.434799383,-23.1086034,-13.39814815,-25.75868056,3.393518519,6.630208333,0.017700474,-0.015807687,0.005152686,5.14E-04,-0.003030464,0.00300334,-0.00245394,2.98E-04,4.24E-04,37.56444324,0.529210521,1.640749645,6.870406858,-4.747005565,-16.62955981,-23.57768319,-6.020304181,5.464255359,45.64356529,-8.753949062,-6.091349099,3.959847396,7.670224341,-15.24613023,-9.870483258,-12.88615563,1.98976252,0.116332222,-0.00189299,0.050472989,-0.001364034,-0.0509747,-0.054061722,-0.063845123,0.013021278,0.020283519,0.200033478,-0.073282419,-0.022359558,-0.013852927,0.054215112,-0.051527586,0.028020664,-0.053210874,-0.004930968,1.132833813,-0.459668149,-0.088245323,-0.132592695,0.30535688,-0.275261888,0.251271755,-0.274282779,-0.04191829,1.738233025,-0.046103395,0.546827951,0.052930421,-0.624556849,-0.558256173,-0.954025206,0.141396605,0.245563272,-0.893065729,0.291104408,0.029021018,-0.171208078,0.169675706,-0.138636991,0.016863423,0.023952557,0.01408807,0.043678263,0.182896544,-0.126369651,-0.442694164,-0.627659594,-0.16026603,0.145463499,-0.191789336,-0.133454717,0.086755874,0.168046126,-0.33402584,-0.216251364,-0.282321408,0.043593495,-0.016272279,0.43386938,-0.011725331,-0.43818212,-0.464718383,-0.548817191,0.111931824,0.174358558,-0.366350774,-0.111779081,-0.069253044,0.271030194,-0.257594811,0.140079872,-0.266009841,-0.024650712,-0.405768387,-0.077897854,-0.117045142,0.269551347,-0.242985233,0.221808135,-0.242120932,-0.037003035,-0.026523138,0.314588403,0.030450705,-0.359305593,-0.321163023,-0.548847705,0.081345023,0.141271779,2.004169719,0.653159019,1.101456179,1.940060961,1.95703851,1.048884527,0.099754489,0.065704981,0.98411151,0.967552529,0.745737714,1.273552261,1.632812049,1.731626035,0.900842075,0.571963222,1.517203255,1.140693387,0.842639969,0.62606905,1.33702975,1.089610539,1.37864425,0.875329682,0.797705327,0.661763851,0.876636596,2.135457204,2.155201041,2.093625324,0.056982934,0.036179641,1.859799107,1.150719486,0.97294171,0.472309743,1.31990183,0.733779975,1.406312429,0.89289678,1.918707864,1.129914501,1.010484214,0.504249665,1.355443679,0.685227152,1.348898672,0.856443602,0.619243147,0.440762104,0.631228499,2.063747912,2.609227611,2.613694374,0.080401731,0.05615359,50.54995101,25.64997551,39.07985279,51.14995101,5.114995101,25.64997551,0.75,4.44E-16,4.44E-17,-35.35050621,3000020.398,300002.0398,14.91412965,50.57918374,25.66349024,39.10251757,51.17742113,5.117742113,25.66349024,0.747796737,1.11E-16,1.11E-17,-36.73680057,3000020.394,300002.0394,14.91412964,76.56014257,37.68157957,59.38685335,75.60255582,7.560255582,37.68157957,-1.196983434,7.22E-16,7.22E-17,-34.86499839,3000018.525,300001.8525,14.91412902,50.60986433,25.67767437,39.12630559,51.20625185,5.120625185,25.67767437,0.745484401,4.44E-16,4.44E-17,-35.35050621,3000020.389,300002.0389,14.91412964,104.1543571,50.45373715,81.04486919,101.5568509,10.15568509,50.45373715,-3.246882793,1.17E-15,1.17E-16,-34.38542531,3000017.954,300001.7954,14.91412883,53.61281578,27.06610917,41.45768879,54.02833783,5.402833783,27.06610917,0.519402558,0,0,0,3000019.986,300001.9986,14.91412951,43.55783303,22.28683496,33.36570576,44.57688065,4.457688065,22.28683497,1.698412698,5.55E-16,5.55E-17,-35.12736266,3000023.988,300002.3988,14.91413084,0,11.89,15.99691992,-0.293351019,0.405720685,3.799807461,6.071761252,9,23,22,22,8,1,1,0,0,1,20.094898,3.523520094,3.269483195,3.055334653,2.470288345,2.301908016,1.539617889,1.511023774,1.004440163,1.769398175,1.746860751,1.271652904,1.174566285,0.843260098,0.654067428,0.596088366,0.083923071,3.374088436,3.273255303,2.940905317,2.440864697,2.279287747,1.551129131,1.509439549,0.624368468,1.750500522,1.687259351,1.349067758,1.098617675,0.900413509,0.522785575,0.485767814,0.270913902,3.59975765,3.448098505,3.197593884,2.742403919,2.576722425,1.985639939,1.94705717,1.244765357,1.508764547,1.455352622,1.031639582,0.732638402,0.544363932,0.023775574,0.01195242,0.943918427,3.360427125,3.29183076,2.887857815,2.463322351,2.298046493,1.606964468,1.568642075,0.463415191,1.758112432,1.649797003,1.384496135,1.050679268,0.876281538,0.437073332,0.401187817,0.399277246,3.614295866,3.51453188,3.215105599,2.839135999,2.667291433,2.148006095,2.111050017,1.209019028,1.467583084,1.389702615,1.026966512,0.631200944,0.460868975,0.142744518,0.180363244,1.207644823,4.930624445,3.483670683,3.420924716,2.98243691,2.819979115,2.1343918,1.930701446,1.555173595,1.574840816,1.556432345,0.908610053,0.847113052,0.368513487,0.266693562,0.134333076,0.6,0,0,0,0,0,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.034020691,0,0,0,0.40824829,0.433012702,0.49279928,0.048112522,0.051031036,0.058076952,7.819990956,4.808060412,3.389628766,2.100953631,1.249509283,0.90104757,0.276292929,0.144337567,0.781999096,0.534228935,0.376625418,0.262619204,0.178501326,0.150174595,0.092097643,0.072168784,6.553171996,3.603936267,1.946923425,0.848074696,0.412457479,0.225592232,0.079758898,0.041666667,0.6553172,0.400437363,0.216324825,0.106009337,0.058922497,0.037598705,0.026586299,0.020833333,12.93719194,24.20684632,23.1254902,23.52,14.0306,185.6613485,0.539049664,1.008618597,0.963562092,0.98,0.584608333,7.735889521,1.9596,37.882,31.09689182,47.67861055,62.19378363,6.219378363,31.09689182,1.72E-15,1.72E-16,-33.99596055,3000019.329,300001.9329,14.91412929,105,0,0,3,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.78055556,-0.55212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.740277778,0,0,0,0,0,0,0,0,0,0,0,3.87519983,0,2.563040911,0,0,0,0,0,0,-0.55212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.51638889,9.264166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.632083333,-0.55212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.335,0,0,0,0,0,0,0,0,0,0,0,1.937599915,0,0.446971844,0,0,0,0,0,0,-0.55212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.51638889,4.632083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.51638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.618402778,0,0,0,0,0,0,0,0,0,0,0,1.937599915,0,0.834548611,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.51638889,4.632083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,25.66666667,2.566666667,0.768194444,10.51638889,0.286388889,-0.55212963,2.987322323,2.218796296,3.516388889,11.56111111,2.218796296,3.516388889,11.56111111,4.49999,0.45,0,0.05,0.5625,0.93,0.425,0.5625,0.93,0.1375,0,-0.1375,0,0.48387,0.23042,0,0.2963,0.11111,0,7.25,0.725,5.75,0.575,1.5,0.15,-4.25,-0.425,0,0,7.45436,0.74544,11.47496,4.02059,0.40206,3.38973,0.33897,4.80805,1.41833,0.14183,0.10595,0.01059,0.10595,0.01059,0,9.03,3,3,3,3,0,0,0.857142857,1.347073298,2.03067213,2.938721876,2.938721876,2.938721876,2.938721876,32.32975915,48.73613111,70.52932501,70.52932501,70.52932501,70.52932501,0.293802468,0.442898307,0.640947854,0.640947854,0.640947854,0.640947854,3.237889203,2.554290371,1.646240625,1.646240625,1.646240625,1.646240625,0.293802468,0.442898307,0.640947854,0.640947854,0.640947854,0.640947854,12.6768734,21.33862356,22.25377882,22.25377882,22.25377882,22.25377882,37.12615473,24.55986085,24.65601563,24.65601563,24.65601563,24.65601563,10,7.111111111,7,10,4,3,1.9,1.228,0.125,2.642531454,0.5,0,2.065979662,1.632993162,0,0,0,0,0,1,0.5,0,0,0,0,0,0,0.003,0.162,0.111,0.328,-0.019,3.827,9,8,7,6,3,2,1,0,0,55,2.397895273,2.48490665,2.397895273,2.302585093,2.197224577,1.386294361,1.098612289,0.693147181,0,0,4.17438727,1.163636364,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0.666666667,8,0.888888889,0,4,8,1,1.5,0.666666667,0.375,0.24,0.055555556,0.040816327,0.03125,0,0,0,0.166666667,0.074074074,0.046875,0.034285714,0.009259259,0.013605442,0.015625,0,0,0,0.360391156,31.09689182,47.67861055,62.19378363,6.219378363,31.09689182,1.72E-15,1.72E-16,-33.99596055,3000019.329,300001.9329,14.91412929,35.53,153.3625725,4.321928095,3.610917913,4.262679877,4.96284463,5.645446898,6.354370041,7.048386409,7.760040681,8.458504195,9.171079658,76.2742703,2.944438979,0,4.007333185,0,5.231108617,0,6.532334292,0,7.878155337,8.186742787,146.0942943,6.087262263,18.65246657,1.865246657,8.269354905,8.269354905,0,149,8,1.974,36,1.245826087,2.118121006,2.837431073,3.625929076,4.983857056,5.768175727,6.933067384,7.822506688,9.140473103,10.07317369,104.7310571,115.7720234,119.1065752,173.0454979,292.8391701,175.1825295,152.2424706,93.18975592,45.35600597,10.23498915,281.7801237,310.1057995,346.531763,492.3412247,839.4208334,761.8661052,835.5999916,645.7837936,556.1644757,313.1119566,9.864359809,16.9016846,21.56230658,30.10316923,41.99007275,47.13698711,48.8131162,54.10955819,62.70805866,67.67625481,1.899557367,2.275026189,2.589188905,3.31830589,5.657819519,5.796859671,7.493018584,6.420381522,6.239378859,4.478663016,183.8575299,344.5349392,475.5399809,620.7553743,800.7894716,965.9630226,1109.215508,1325.281136,1586.835167,1862.707627,3.936282609,7.549300673,6.889948254,12.09660861,21.63223878,18.41014696,10.97961676,11.08453294,12.39253534,10.07317369,0.457253478,0.572074306,0.661562314,0.918212991,1.513344603,1.452838972,1.601913536,1.398552022,1.383468209,1.031492986,391.3142284,393.0357782,17.55787355,213.2071716,-214.1451563,-24.9286415,178.1070568,607.1809345,42.48651505,0.64731245,0.65016024,0.029044255,0.35268755,-0.354239166,-0.041236988,236.5578252,237.5985389,10.6141103,128.8882979,-129.4553297,-15.06989726,0.40392285,0.291070482,5.85600413,6.507145134,522.3293104,82.19208961,0.86403775,0.13596225,743.5153088,27.26747713,9.059341651,879.133814,29.65019079,9.579694545,1299.830143,36.05315719,10.91345348,2.887180607,2.887180607,1290.150634,1224.321043,85.88821963,1.053768242,15.02127578,14.25481921,4.701266024,5.398345905,10.79192468,0.999116928,3.904629791,5.704637798,4.936226052,19.57855812,3.896990811,3.374173194,1.594219078,9.358808355,0.420044505,4.222156292,10.39271781,4.291566309,6.532732565,5.464048959,0.670252506,4.211041232,6.488091921,0.615592865,2.259626577,0.316422271,0.026350854,3.36E-22,8.28E-64,3.93E-127,3.60E-212,6.36366E-319,0,0,0,0,0.327716033,6.338671224,0.473029326,7.952537013,0.03123792,4.005292212,1.303944086,1.774544198,0.31573634,0.432481287,2.925993206,0.212997035,2.693786019,0.141419747,0.056636532,0.318519009,0.230858097,0.614061867,0.187119771,0.002228593,1.86E-04,2.37E-24,5.83E-66,2.77E-129,2.54E-214,4.486E-321,0,0,0,0,1.057828277,5.159506827,0.997702509,6.379891413,0.295756848,2.760861143,0.843466887,2.949090709,0.196673497,0.927722638,3.132714717,0.535073687,3.373814099,0.665492779,0.181647807,1.018309508,0.951906045,0.614164267,0.605702655,0.023223617,0.001934004,2.47E-23,6.08E-65,2.89E-128,2.64E-213,4.671E-320,0,0,0,0,3.685660535,6.33631954,5.644711597,21.2674202,3.474759534,4.039612477,1.882168034,9.866951984,0.5436194,4.85891964,10.50320191,4.440503821,6.261070952,4.939246791,0.632602179,3.939222181,5.908268058,0.615424808,2.131171417,0.28192655,0.023478136,3.00E-22,7.38E-64,3.50E-127,3.21E-212,5.6699E-319,0,0,0,0,1.559031612,4.711418751,1.189055714,6.688974212,0.63309446,2.290028666,0.701757421,3.599841562,0.144848382,1.105096573,3.672246639,0.760879493,3.871387897,1.192237441,0.267535635,1.526828847,1.612026253,0.614296947,0.894370931,0.050444788,0.004200914,5.36E-23,1.32E-64,6.27E-128,5.74E-213,1.0145E-319,0,0,0,0,4.715405991,6.104791516,6.897048654,26.03563683,5.671029982,3.815620189,1.939721858,11.93226563,0.557810286,5.806529689,13.23574969,6.238816133,7.580180278,7.633053201,0.809751455,5.255526126,8.858325466,0.616299498,2.737029666,0.461472128,0.038430244,4.91E-22,1.21E-63,5.74E-127,5.25E-212,9.28083E-319,0,0,0,0,2.409747032,9.536527213,4.959327557,34.34894002,1.415025047,5.041087114,3.966275586,11.17094418,1.35809195,7.906907664,8.981463945,3.070248637,4.987222099,2.20806287,0.361926499,2.789025555,2.864062214,0.88478873,1.6151542,0.113912041,0.009486307,1.21E-22,2.98E-64,1.42E-127,1.30E-212,2.2909E-319,0,0,0,0,12.56450079,0.711272221,0.414643512,0.91775884,0.051954023,0.633912269,0.496296745,0.499982783,13.69041652,14.44149354,31.83748807,0.87663826,1.630191797,8.312778913,0.522621215,0.068618444,0.93359856,0.058694983,0.277479653,0.267943855,0.013692635,8.904018572,4.950706026,14.15283294,0.900397839,0.559116143,10.86787983,0.52724876,0.208390246,0.936602076,0.045438696,0.47427293,0.272709876,0.126287415,11.60351884,8.104709812,20.90232063,0.904903114,0.87327022,11.98481964,0.718376509,0.388045247,0.915483817,0.05487459,0.576768704,0.506260421,0.43789505,13.0912414,13.53902778,29.97118853,0.873225725,1.520924175,11.98607066,0.551023748,0.283194252,0.934929858,0.042980604,0.576889121,0.297858751,0.233224499,12.82028866,10.15504265,24.84571878,0.902394787,1.10797237,12.62858593,0.740584147,0.436452846,0.914742203,0.05364366,0.64039529,0.538044943,0.553961982,13.80562292,15.18754287,33.07510437,0.872113305,1.732402215,12.16308725,0.724602321,0.394322089,0.915756405,0.054555164,0.594054549,0.515073461,0.452176005,13.28201166,13.89530193,30.65263239,0.873634608,1.561304014 +UMLYSI0295,L,cyclohexanone,C1CCC(=O)CC1,saturated alkanone,C6H10O,108-94-1,7967,PubChem,,34.3,0,-1.0582,1.11978724,23.1792,18.02993,0,0,17,7,10,0,6,0,1,0,0,0,0,0,0,0,1131.713367,1178.819595,1497.134784,1140.027093,393.999861,40.382496,0,0,0,3068.329632,3991.197076,5596.711464,4996.13647,2275.490099,412.6972167,0,0,0,125.779452,126.4533,241.255824,330.422052,226.5903,72.690048,0,0,0,21.82273305,29.2081831,43.90603072,42.56914462,21.72766152,4.626439211,0,0,0,2795.393943,2445.334942,5054.492008,7448.940219,5383.988345,1849.70977,0,0,0,73.02777778,40.66666667,70.66666667,102.6666667,69.83333333,22,0,0,0,66.57137453,69.34232912,45.36772073,25.3339354,12.70967294,4.0382496,0,0,0,180.4899783,234.7762986,169.5973171,111.0252549,73.40290643,41.26972167,0,0,0,7.398791294,7.438429412,7.310782545,7.342712267,7.309364516,7.2690048,0,0,0,1.283690179,1.718128418,1.33048578,0.945980992,0.700892307,0.462643921,0,0,0,164.4349378,143.8432319,153.1664245,165.5320049,173.6770434,184.970977,0,0,0,4.295751634,2.392156863,2.141414141,2.281481481,2.252688172,2.2,0,0,0,0.123334468,-0.040764581,-0.007829247,-0.004284787,-3.18E-04,-0.008470167,0,0,0,565.0991891,3.34E-13,-119.9209141,-181.7805977,-65.05147217,84.20338949,0,0,0,855.8123209,-1.56E-13,-334.5568135,-289.6768837,-37.33973879,233.6672756,0,0,0,1.038128471,4.94E-16,0.059946145,-0.235750422,-0.231604152,-0.111655806,0,0,0,3.828753554,6.11E-16,-1.811359666,-1.274544484,-0.041206844,1.212734218,0,0,0,21.25720683,4.71E-14,-10.35895071,-6.985079633,-0.107861082,6.82328801,0,0,0,32.75163399,0.903594771,1.085063437,-7.492887351,-7.308535179,-3.563052672,0,0,0,0.007254969,-0.002397917,-2.37E-04,-9.52E-05,-1.03E-05,-8.47E-04,0,0,0,33.24112877,1.96E-14,-3.633967094,-4.039568839,-2.098434586,8.420338949,0,0,0,50.34190123,-9.20E-15,-10.13808526,-6.437264083,-1.204507703,23.36672756,0,0,0,0.061066381,2.91E-17,0.00181655,-0.005238898,-0.007471102,-0.011165581,0,0,0,0.225220797,3.59E-17,-0.054889687,-0.028323211,-0.001329253,0.121273422,0,0,0,1.250423931,2.77E-15,-0.313907597,-0.155223992,-0.00347939,0.682328801,0,0,0,1.926566705,0.053152634,0.03288071,-0.166508608,-0.235759199,-0.356305267,0,0,0,-0.33052059,-0.032701713,-0.013124453,-0.001415945,-0.116749876,0,0,0,5.91E-16,-0.109321411,-0.121523215,-0.063127657,0.253310861,0,0,0,-1.83E-16,-0.201384632,-0.127870897,-0.023926544,0.464160609,0,0,0,4.76E-16,0.029747135,-0.085790221,-0.122343941,-0.182843334,0,0,0,1.59E-16,-0.243715001,-0.125757528,-0.005902,0.538464579,0,0,0,2.21E-15,-0.251040939,-0.124137093,-0.002782568,0.545677977,0,0,0,0.027589304,0.017066998,-0.086427637,-0.122372716,-0.184943125,0,0,0,0.997416828,0.727708198,1.030324585,1.124651488,1.380074093,0,0,0,1.021425459,1.052377745,1.054540153,0.970647551,0.636292064,0,0,0,1.256857651,1.294944246,1.018963733,0.789896384,0.156010393,0,0,0,0.481238863,0.495821859,1.13616835,1.385371454,1.73827272,0,0,0,1.329588515,1.369879076,1.007973291,0.73405785,0.007639429,0,0,0,1.333319149,1.37372276,1.007409551,0.731193686,2.89E-05,0,0,0,0.445420076,0.490992544,1.14155081,1.395755145,1.75869088,0,0,0,21.80340357,11.02670178,16.34240115,21.981975,3.140282142,11.02676795,0.25,0.10458354,0.014940506,-1.580438369,23.46090794,3.351558276,2.208734881,21.80522313,11.02724435,16.3432566,21.98326997,3.140467139,11.02731048,0.249265579,0.104534598,0.014933514,-1.580766024,23.46326972,3.351895674,2.208805345,23.42348259,11.51224405,17.16176273,23.36648338,3.338069054,11.51228109,-0.398994478,0.056286734,0.008040962,-2.014107481,26.55099267,3.792998953,2.295346995,21.80713281,11.0278138,16.34415456,21.98462909,3.140661299,11.02787988,0.2484948,0.10448322,0.014926174,-1.581110156,23.46575047,3.352250066,2.208879352,25.150007,12.03385637,18.18500505,24.99539353,3.570770505,12.03387743,-1.082294264,0.004141584,5.92E-04,-3.840673911,34.26687858,4.895268368,2.473925474,21.99403025,11.08358222,16.43274715,22.11769753,3.159671075,11.08364375,0.173134186,0.099392107,0.014198872,-1.616077801,23.71875375,3.388393393,2.216386223,21.612053,10.66522993,15.847944,21.65813779,3.094019684,10.66534547,0.772486772,0.162326877,0.023189554,-1.27270025,21.31516511,3.045023588,2.141593158,0,11.9,15.99491614,-0.299189275,0.132702954,4.199872577,6.782358849,7,17,16,16,6,1,1,0,0,1,11.89007,3.64959247,2.939260656,2.750129472,1.818050546,1.456797487,1.156417679,0.083923071,0.083923071,1.944351963,1.372874417,1.280702177,0.666206401,0.57012495,0.184344076,0.083923071,0.083923071,3.630350399,2.868845624,2.792995694,1.690088443,1.556142907,1.237330611,0.270913902,0.270913902,1.909960999,1.285229005,1.259112722,0.522081792,0.464836966,0.265163579,0.270913902,0.270913902,3.755273729,3.068358397,2.981537655,2.094646719,1.9628467,1.730552591,0.943918427,0.943918427,1.744271951,1.018928274,1.009295574,0.037619229,0.004763632,0.262390518,0.943918427,0.943918427,3.636843952,2.862451789,2.824624264,1.67775845,1.62787375,1.2984514,0.399277246,0.399277246,1.889994059,1.250198548,1.228596505,0.434477952,0.425347018,0.222763775,0.399277246,0.399277246,3.793504729,3.10578987,3.072480534,2.172636448,2.141548494,1.909179634,1.207644823,1.207644823,1.704340188,0.96530754,0.933903671,0.103341467,0.135164289,0.417516121,1.207644823,1.207644823,5.225306457,3.505131845,2.880364017,2.538845467,1.771846324,1.574921685,0.654545455,0.654545455,1.769525481,1.135482688,0.971350588,0.244000381,0.10781929,0.586308088,0.654545455,0.654545455,0,0,0,1,0,0,5,0,0,0,0,0,0.102062073,0.102062073,0,0,0,0.088388348,0.036084392,0.288675135,0,0,0,0.102062073,0,0,0,0.40824829,0.433012702,0.40824829,0.144337567,0.153093109,0.144337567,5.112884175,3.39384685,2.743182156,1.89384685,1.306712822,0.90104757,0.204124145,0,0.730412025,0.484835264,0.34289777,0.236730856,0.163339103,0.112630946,0.102062073,0,4.443782196,2.911230926,2.099335306,1.411230926,0.946114263,0.632392159,0.072168784,0,0.634826028,0.415890132,0.262416913,0.176403866,0.118264283,0.07904902,0.036084392,0,9.423938123,16.76984705,15.97647059,16.2,10.47301198,130.038491,0.554349301,0.986461591,0.939792388,0.952941176,0.616059528,7.649323001,1.5196,28.092,25.81164286,34.91599912,51.62328572,7.374755103,25.81164286,0.063309915,0.009044274,-1.931799329,26.80913824,3.829876892,2.302119966,45,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,2,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46305556,0.46412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.680208333,0.802777778,0,0,0,0,0,0,0,0,0,0,0,0,5.239490741,0,0,0,0,0,0,0.46412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46305556,0.46412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.265625,0.401388889,0,0,0,0,0,0,0,0,0,0,0,0,0.847222222,0,0,0,0,0,0,0.46412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46305556,0.46412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,0,0,1.269583333,0,0,0,0,0,0,0.46412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.16666667,2.30952381,0.515972222,10.46305556,0.265625,0.46412037,2.459993565,1.202546296,3.463055556,6.926111111,1.202546296,3.463055556,6.926111111,3.33333,0.47619,0,0.02381,0.5098,0.80952,0.43333,0.5098,0.80952,0.07647,0,-0.07647,0,0.58823,0.12606,0,0.1,0.15,0,5.25,0.75,3.75,0.53571,1.5,0.21429,-2.25,-0.32143,0,0,4.93047,0.70435,6.62679,1.69632,0.24233,2.70568,0.38653,3.39384,0.68816,0.09831,0.02016,0.00288,0.10616,0.01517,0.352941176,7.01,1,1,1,1,0,0,0.833333333,1.221047785,1.736041168,2.351593723,2.793345194,2.793345194,2.793345194,20.75781235,29.51269985,39.9770933,47.4868683,47.4868683,47.4868683,0.298730003,0.424723413,0.575318679,0.683393416,0.683393416,0.683393416,2.866415056,2.351421674,1.735869118,1.294117647,1.294117647,1.294117647,0.292822481,0.416324314,0.563941491,0.669879001,0.669879001,0.669879001,10.66317026,16.84309085,17.95156927,19.68997452,19.68997452,19.68997452,25.51725005,20.17718123,20.14626147,18.18212562,18.18212562,18.18212562,5.142857143,2.34375,1.5,0,1,0,2.01,0.8611,0,0,0,0,6.083643419,3.041821709,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.405,0.403,0.748,0.387,3.744,8,8,8,8,2,0,0,0,0,48,2.197224577,2.397895273,2.397895273,2.397895273,2.397895273,1.609437912,0,0,0,0,4.094344562,1.229166667,0.25,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,4,0.333333333,1,0.444444444,0.1875,0.111111111,0,0,0,0,0,0,0.142857143,0.055555556,0.0375,0.111111111,0,0,0,0,0,0,0.34702381,12.17044963,17.87831474,24.34089927,3.477271324,12.17046852,0.011449771,0.001635682,-3.128849875,28.15073608,4.021533726,2.336301452,17.07,106.1296758,3.807354922,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,71.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.388905171,98.07316494,5.769009702,13.67682532,1.953832189,2.490696528,2.490696528,0,42,5,0.92,30,1.244469826,2.108728606,2.835007835,3.69531369,4.235300316,0,0,0,0,0,97.23481765,109.2384471,79.58539365,49.30817641,18.38643678,0,0,0,0,0,314.2360242,383.8965952,332.6772451,271.5598255,179.1146884,0,0,0,0,0,9.327083054,15.55629475,21.03621884,27.2106947,31.02018104,0,0,0,0,0,2.24593432,2.930335346,2.775905952,2.556114321,1.967092016,0,0,0,0,0,177.3715286,320.2171327,464.9822948,643.8436488,783.4302793,0,0,0,0,0,3.184182068,4.891493168,6.997292054,8.811029077,9.827187433,0,0,0,0,0,0.481592218,0.647595966,0.652469848,0.637322235,0.529129626,0,0,0,0,0,330.4970852,146.8462535,12.87381503,82.19477305,-36.52072898,-18.7240795,248.3023122,183.3669825,31.59789453,0.800832579,0.355825419,0.03119474,0.199167421,-0.088493941,-0.045370606,136.3934563,60.60225323,5.312918648,33.92111363,-15.07180751,-7.727275163,0.298523557,0.6733234,11.46294737,39.6740805,353.7690873,58.92277097,0.857223326,0.142776674,519.8922311,22.80114539,8.040895954,616.7625919,24.83470539,8.512151441,821.9518489,28.66970263,9.367322207,1.198765869,1.194066499,277.2006654,205.1668402,115.8982408,1.351098769,2.391759041,1.770232566,3.466100759,3.651473827,5.07237696,0.389131403,2.789625488,4.674753343,4.307000761,5.781813473,10.73638139,3.328258708,5.834289293,1.848391192,0.592289302,1.14E-08,4.26E-38,3.06E-89,4.24E-162,1.13E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234681862,5.006156464,0.341342538,2.450022236,0.704119056,0.646078724,1.196135099,0.159578794,0.066205713,1.28E-09,4.76E-39,3.42E-90,4.75E-163,1.27E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.756200326,4.388969183,1.115144318,2.564541622,2.327675698,0.953483543,0.989990403,0.303923386,0.114690384,2.22E-09,8.25E-39,5.93E-90,8.22E-163,2.20E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.63321367,5.005347684,4.051605865,5.479494158,10.09874659,3.323104414,5.588032898,2.157673238,0.743919572,1.44E-08,5.35E-38,3.85E-89,5.33E-162,1.43E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.114206401,4.154464122,1.656927214,2.814069302,3.536119929,1.221442823,1.211749697,0.339906329,0.113569137,2.19E-09,8.17E-39,5.87E-90,8.14E-163,2.18E-257,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368748049,4.884427031,5.266942327,7.384348871,13.76876263,4.167517057,8.290138555,2.698647121,0.865043653,1.67E-08,6.22E-38,4.47E-89,6.20E-162,1.66E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.79293704,8.732162909,2.738586654,4.545918409,7.260053681,3.884357929,6.090160407,4.38869328,1.776155336,3.43E-08,1.28E-37,9.19E-89,1.27E-161,3.40E-256,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.787289878,1.595364986,0.622428723,0.446255325,0.398335004,0.596067044,0.446750014,0.443072424,4.005083587,4.956841239,10.73670545,0.266885493,1.485889482,2.123796315,0.958180652,0.227479524,0.641735681,0.289528101,0.696587503,0.17003525,0.042135112,3.309456491,2.73606719,6.508440084,0.462603522,0.908757865,1.570064619,1.315057189,0.372690583,0.481938316,0.403662652,0.402563057,0.320585597,0.140275454,3.257812391,3.139982494,7.167298361,0.328401452,0.863424109,1.751395163,1.698358497,0.619397166,0.430408023,0.417374182,0.581902146,0.546041475,0.409130187,4.069150826,5.111264497,11.02281025,0.271673307,1.537073808,1.496600172,1.399214108,0.430612034,0.449912318,0.420635834,0.424093792,0.350202192,0.210683487,3.326426314,3.341036551,7.569192055,0.305822228,0.984979472,1.839896656,1.640397556,0.659242626,0.444469207,0.396275627,0.631356503,0.470608339,0.495537376,4.139536838,5.312520274,11.44175814,0.261117251,1.597502219,1.776339348,1.706583839,0.623062414,0.432621914,0.415633177,0.551188084,0.552178809,0.406084889,4.105985601,5.201550552,11.19633243,0.272382636,1.509451782 +UMLYSI0296,L,2-hexanol,CCCCC(C)O,saturated alcohols,C6H14O,626-93-7,12297,PubChem,,34.1,0,-1.2721,1.61823841,26.4947,20.697102,0,0,21,7,14,0,6,0,1,0,0,0,0,0,0,0,1135.777623,1087.00373,1240.904878,955.947264,705.814919,506.009998,144.307296,12.192768,0,3192.664609,3993.903654,5070.762885,4785.01896,3635.029318,2534.97974,1391.118395,373.0049332,0,152.653308,149.736848,269.637448,349.61556,298.228772,215.18848,152.140032,80.621568,0,23.60118467,30.29468402,41.75499464,42.42947992,33.80239312,23.44702555,14.28985608,5.335354858,0,3535.064551,2963.092506,5878.880728,8067.329227,7174.122259,5140.414147,3661.504836,2219.011824,0,66.52777778,48.5,78.25,97.66666667,72.33333333,60,43,12,0,54.08464871,54.3501865,33.53796968,19.915568,16.80511712,16.86699993,6.871776,1.016064,0,152.0316481,199.6951827,137.0476456,99.687895,86.54831709,84.49932466,66.24373311,31.08374443,0,7.269205143,7.4868424,7.287498595,7.2836575,7.100685048,7.172949333,7.244763429,6.718464,0,1.123865937,1.514734201,1.128513369,0.883947498,0.804818884,0.781567518,0.680469337,0.444612905,0,168.3364072,148.1546253,158.8886683,168.0693589,170.8124347,171.3471382,174.3573732,184.917652,0,3.167989418,2.425,2.114864865,2.034722222,1.722222222,2,2.047619048,1,0,0.224925876,-0.110060297,0.008273839,-0.03227002,0.019564571,0.011571324,-0.029336144,0.01979379,0,638.6281311,-66.44114433,-124.5294681,-208.1142872,52.13512871,7.167982367,-158.102565,178.5702879,0,965.983639,-78.0117429,-326.1113896,-218.1984335,48.24079695,-19.35196606,-157.1179997,267.5589153,0,1.082321143,-0.089402612,9.04E-05,-0.317276898,0.008597143,-0.035059918,-0.215433714,0.107325061,0,4.253148428,-0.249912087,-1.75826239,-0.604374037,0.050802092,-0.222242224,-0.373258833,1.030673265,0,23.45618849,-1.219488698,-10.07216538,-2.759682107,-0.017482676,-1.466027361,-1.533632066,5.340384043,0,24.14550265,-3.95074326,1.862685815,-7.189720333,-0.592592593,1.212773998,-5.538359788,2.123204837,0,0.010710756,-0.005503015,2.24E-04,-6.72E-04,4.66E-04,3.86E-04,-0.001396959,0.001649482,0,30.41086339,-3.322057216,-3.365661299,-4.335714316,1.241312588,0.238932746,-7.528693571,14.88085733,0,45.9992209,-3.900587145,-8.813821339,-4.545800698,1.148590404,-0.645065535,-7.481809511,22.29657628,0,0.051539102,-0.004470131,2.44E-06,-0.006609935,2.05E-04,-0.001168664,-0.010258748,0.008943755,0,0.202530878,-0.012495604,-0.047520605,-0.012591126,0.001209574,-0.007408074,-0.01777423,0.085889439,0,1.116961357,-0.060974435,-0.272220686,-0.057493377,-4.16E-04,-0.048867579,-0.073030098,0.445032004,0,1.14978584,-0.197537163,0.05034286,-0.14978584,-0.014109347,0.0404258,-0.263731418,0.176933736,0,-0.513783982,0.020877823,-0.06276794,0.043491153,0.036011538,-0.13042583,0.154002432,0,-0.109239161,-0.110672994,-0.142571234,0.040818065,0.007856822,-0.247565927,0.489327026,0,-0.084796809,-0.191608057,-0.098823428,0.02496978,-0.014023401,-0.162650788,0.48471639,0,-0.0867328,4.74E-05,-0.128250884,0.003971623,-0.022675287,-0.199047866,0.17353339,0,-0.06169728,-0.234633878,-0.062168919,0.005972292,-0.036577505,-0.087760594,0.424080712,0,-0.054589565,-0.243715402,-0.051473023,-3.73E-04,-0.043750465,-0.065382833,0.398430976,0,-0.17180344,0.043784554,-0.130272817,-0.012271283,0.035159417,-0.229374384,0.15388408,0,1.431887827,0.72108458,1.150386939,0.829595149,0.957572744,1.486751721,0.389298016,0,1.420617299,1.184517343,1.122134747,0.805405154,0.874804556,1.134613871,0,0,1.575881923,1.365369298,1.019924501,0.826477318,0.846328112,0.900258605,0,0,1.044336986,0.817763978,1.330914282,0.750630127,1.021665957,1.561698262,0,0,1.628819317,1.439953236,0.97804458,0.832992205,0.850681865,0.794908358,0,0,1.633454525,1.450934114,0.971956082,0.833332033,0.855906049,0.776920406,0,0,1.14122932,0.766126047,1.328749863,0.760929111,0.970965268,1.617179796,0,0,29.73455447,14.99227724,23.77914215,29.9131259,4.2733037,14.99227813,0.25,0.101250023,0.014464289,-1.603113645,24.2061645,3.458023501,2.230625133,29.73768199,14.99347378,23.78062391,29.91572883,4.273675547,14.99347468,0.249265579,0.101182664,0.014454666,-1.603579486,24.20830687,3.458329552,2.230687083,32.56242174,16.08171363,25.19026846,32.27742569,4.611060812,16.08171391,-0.398994478,0.033651059,0.004807294,-2.374197518,27.78117657,3.96873951,2.327051083,29.74096454,14.99472967,23.78217929,29.91846082,4.274065832,14.99473056,0.2484948,0.101111952,0.014444565,-1.604068855,24.21055805,3.45865115,2.230752175,35.64475911,17.28123243,26.9428442,34.87169178,4.981670255,17.28123251,-1.082294264,0.058284559,0.008326366,-1.989692655,63.80391161,9.114844516,2.909070149,30.06289832,15.11801625,23.93555716,30.18656559,4.312366513,15.11801703,0.173134186,0.09410146,0.013443066,-1.654367198,24.44501359,3.492144798,2.237498376,32.51328125,16.54714988,26.93768875,32.92829447,4.704042068,16.54715009,0.581018519,0.111728335,0.015961191,-1.534179456,23.94251078,3.420358683,2.222958901,0,11.99635526,15.9979425,-0.418489597,0.077582799,4.497652694,6.934141489,6,20,20,20,6,0,0,0,0,0,15.304898,3.479654159,3.115823319,2.515244439,2.123242768,1.78504837,1.267014637,0.895143548,0.083923071,1.874398525,1.62877732,1.298858148,0.931892247,0.683879604,0.552589211,0.291285717,0.083923071,3.482464585,3.119379464,2.566631118,2.051324664,1.740625369,1.35495082,0.966519908,0.270913902,1.824780568,1.569459627,1.195358248,0.850234775,0.650710163,0.421855494,0.158300634,0.270913902,3.625860682,3.31114585,2.819250257,2.446774922,2.190835571,1.826390736,1.51541556,0.943918427,1.630627743,1.31524778,0.864385281,0.413968804,0.127422041,0.114141237,0.439928603,0.943918427,3.497676237,3.13858354,2.608253943,2.084027006,1.745585336,1.424060033,1.03237496,0.399277246,1.79460561,1.531511901,1.127799377,0.814900035,0.603644626,0.32438484,0.058534427,0.399277246,3.680148724,3.382437059,2.934102346,2.549465371,2.317585366,2.016138941,1.718878964,1.207644823,1.57693984,1.245087157,0.754651446,0.289288119,0.00702765,0.297603469,0.639533807,1.207644823,4.341240031,3.417860628,3.029721579,2.734724936,2.103277523,1.600065204,1.295226434,0.610169492,1.733920184,1.37013814,0.970808406,0.565088978,0.228428952,0.058786329,0.337258043,0.610169492,0,0,0,0,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.182574186,0,0,0,0.288675135,0.204124145,0.204124145,0.129099445,0.091287093,0.091287093,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,5.145884208,2.950904231,1.991249891,0.975452115,0.499535383,0.295411238,0,0,0.735126315,0.491817372,0.331874982,0.243863029,0.166511794,0.147705619,0,0,10.50759373,20.54552076,19.42745098,19.72,12.07012096,162.609612,0.500361606,0.978358131,0.925116713,0.939047619,0.574767665,7.743314856,1.5574,31.2058,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5975,0,8.683472222,0,0,0,0,0,0,0,0,0,0,0.5975,0,0,0,0,0,0,0,0,0,0,0,0,0,1.8025,0,0,0,0,0,0,0,0,0,0,0,3.956388889,0,3.290740741,0,0,0,-0.097268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.683472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5975,0,8.683472222,0,0,0,0,0,0,0,0,0,0,0.5975,0,0,0,0,0,0,0,0,0,0,0,0,0,0.227777778,0,0,0,0,0,0,0,0,0,0,0,1.829027778,0,0.954861111,0,0,0,-0.097268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.683472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5975,0,8.683472222,0,0,0,0,0,0,0,0,0,0,0.5975,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.127361111,0,1.185416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.683472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.83333333,2.261904762,0.5975,8.683472222,0.227777778,-0.097268519,3.253957917,1.430601852,2.683472222,5.621666667,1.430601852,2.683472222,5.621666667,3.33333,0.47619,0,0.02381,0.46984,0.80952,0.42174,0.46984,0.74583,0.0481,0,-0.0481,0.06369,0.58823,0.12606,0,0.4,0.15,0,3.25,0.46429,3.25,0.46429,0,0,-3.25,-0.46429,0,0,6.20717,0.88674,7.02591,0.81874,0.11696,2.97593,0.42513,3.27005,0.29412,0.04202,0.14395,0.02056,0.14395,0.02056,0,6.01,1,1,1,1,1,1,1,1.115520094,1.779907716,2.915195994,3.427333494,3.010434089,2.752502218,23.42592197,37.37806204,61.21911587,71.97400337,63.21911587,57.80254658,0.253970737,0.405232032,0.663703397,0.780301869,0.685386278,0.626662865,3.276797329,2.612409707,1.477121429,0.964983929,1.381883334,1.639815205,0.258107046,0.411831867,0.67451284,0.7930103,0.69654886,0.636869045,9.935135927,15.18735361,19.86728295,17.89454435,17.47438269,15.10511403,25.72285013,19.80118464,15.81791218,17.4201072,18.45996415,12.53892603,7,4.166666667,6,7,0,6,2.01,1.0127,0.2,2.620741394,1,0,2.381101578,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,3.39,6,4,3,2,0,0,0,0,0,28,1.945910149,1.945910149,1.609437912,1.386294361,1.098612289,0,0,0,0,0,3.36729583,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,6,1,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,20.23,121.1225932,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,102.1044651,4.862117384,12.67036528,1.810052182,2.364829225,2.364829225,0,52,4,1.88,24,1.2214,2.117804748,2.845738382,3.497062822,4.691723664,5.628664069,6.514114319,0,0,0,77.91771384,79.79882177,65.42615043,73.98338353,91.24957904,41.12300005,6.618757051,0,0,0,269.3444456,311.3961149,306.4811255,349.7925148,433.0669195,392.4976432,202.4830647,0,0,0,9.169769619,15.51968498,20.79343772,24.94321844,33.79547548,40.82426809,43.76484254,0,0,0,1.986542612,2.508626343,2.645809838,3.122020882,3.89860273,3.993170774,2.89625929,0,0,0,178.525005,333.1421167,475.416594,586.5345306,795.8784385,973.5630965,1204.574725,0,0,0,3.012741667,4.688400183,5.924020025,6.266897078,9.777769606,11.67650306,6.514114319,0,0,0,0.431093955,0.563017587,0.607181132,0.706275229,0.907918908,0.948823823,0.667045306,0,0,0,351.2434759,221.7224923,11.64078847,185.5404332,-117.1224239,-20.73137831,165.7030427,338.8449161,32.37216678,0.654347997,0.413057263,0.021686173,0.345652003,-0.218192874,-0.03862146,188.541846,119.0170661,6.248587941,99.59511901,-62.86943252,-11.12827029,0.332840043,0.622182111,3.880355539,18.42780173,495.5075704,41.27633868,0.923104367,0.076895633,408.0877446,20.20118176,7.417391191,552.0501458,23.4957474,8.203380253,654.1189918,25.57575007,8.680650138,2.154078351,2.154078351,519.2448699,473.9407446,76.69452665,1.095590273,6.770298906,6.179590191,4.048004345,4.466158665,7.63628977,0.709811572,4.340044604,5.125367107,3.282320483,16.72046452,8.928101116,1.478150088,2.827298486,10.52397375,4.489159102,2.055324588,2.610868265,0.073937918,1.544812114,1.267677695,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.38413492,5.252196822,0.248777073,5.198703984,0.345284784,0.023313506,0.390938947,0.462454303,2.073700513,0.057425188,0.119971986,0.008212694,0.127880219,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.120585269,5.015975695,0.729397512,5.816261583,0.983541367,0.125107073,0.859393501,1.690506448,2.351391222,0.252824716,0.311077569,0.012653829,0.413976048,0.093040371,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.319606141,5.251897527,3.259474696,16.17311527,8.209572241,1.358244302,2.668655654,9.785340829,4.346404012,1.877205473,2.673173776,0.066739285,1.456961205,1.129478003,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,1.584635688,4.926222361,1.046754932,6.664956139,1.720223369,0.243249086,1.189578529,2.736139382,2.594542908,0.445130603,0.453566985,0.018367328,0.611301281,0.202096118,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,5.421862594,5.205622465,4.261684356,21.96095121,12.73542545,2.151786445,3.427999949,14.25940758,5.379257772,2.876699666,3.802816795,0.104196167,1.871341804,1.848788779,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.914732997,5.436405952,2.73643997,13.56993273,4.81103919,0.759227745,1.737832156,5.784332768,3.904915909,0.944186531,2.744145786,0.036291741,1.141740009,0.471965037,1.34E-06,2.98E-33,1.28E-81,1.06E-151,1.68E-243,0,0,0,0,0,0,0,0,0,0,0,5.448710307,0.83014188,0.561289492,0.796578574,0.121363258,0.541436855,0.443280226,0.432872921,6.840141679,8.047456374,17.42642415,0.694867861,1.417590002,4.546336532,0.621693764,0.15366573,0.854302183,0.116822487,0.389189213,0.237705323,0.03049462,5.321696027,3.62057822,9.376599534,0.781453274,0.657389156,4.96760394,0.622330961,0.324137874,0.839963276,0.10522883,0.452079334,0.255661922,0.147045465,5.914072775,4.903403349,11.81954633,0.759944913,0.854786721,5.389424686,0.853334064,0.543776688,0.794134907,0.125739278,0.530676584,0.464456341,0.39491885,6.786535437,7.993646345,17.28099971,0.69120236,1.390051775,5.157951842,0.640523166,0.401030236,0.831994109,0.103318433,0.485396588,0.277510149,0.235937322,6.199505244,5.629151445,13.15357543,0.747991164,0.998844059,5.496096541,0.865439617,0.588201994,0.790835053,0.124528378,0.550916778,0.478064165,0.469330874,6.949738152,8.498407937,18.24595221,0.68625258,1.498311816,5.412529748,0.853980136,0.544917589,0.794624881,0.125374621,0.535148205,0.464666404,0.396123574,6.811427473,8.03692435,17.36706603,0.691937322,1.395938183 +UMLYSI0297,L,ethyl-2-methyl-2-butenoate,CCOC(=O)C(=CC)C,unsaturated esters,C7H12O2,55514-48-2,108343,PubChem,,34,0,1.6153,2.60919409,36.6153,21.925516,0,0,21,9,12,0,7,0,2,0,0,0,0,0,0,0,1533.977617,1443.097628,1753.587341,1752.794125,1343.101674,720.257835,333.998953,90.93168,9.144576,3770.404799,4402.612411,5208.60451,5225.085722,4698.43938,3550.529861,2393.236103,1247.927098,279.7536999,160.108612,153.215816,259.81214,261.74038,267.23712,246.622188,168.052708,163.638144,60.466176,26.14406286,31.32505172,38.59746505,37.93419613,34.65585891,29.43011543,23.04896789,14.68429815,4.001516144,3477.474889,2931.472338,5489.591245,5484.298885,5390.724445,5395.648452,3902.973788,4247.253023,1664.258868,97.05555556,62.19444444,105.6666667,108.1666667,128.6666667,91.5,40.5,30,9,73.04655319,72.1548814,51.57609826,51.55276838,40.70005073,22.50805734,13.91662304,3.78882,1.016064,179.5430857,220.1306206,153.1942503,153.6789918,142.3769509,110.9540582,99.71817095,51.99696242,31.08374443,7.624219619,7.6607908,7.641533529,7.698246471,8.098094545,7.706943375,7.002196167,6.818256,6.718464,1.244955374,1.566252586,1.13521956,1.115711651,1.050177543,0.919691107,0.960373662,0.611845756,0.444612905,165.5940423,146.5736169,161.458566,161.3029084,163.3552862,168.6140141,162.6239078,176.9688759,184.917652,4.621693122,3.109722222,3.107843137,3.181372549,3.898989899,2.859375,1.6875,1.25,1,0.279223833,-0.18590991,0.036462022,0.083891862,-0.034809759,-0.061437141,0.002798162,0.013182466,0.006210382,751.701177,-11.34037805,215.2665016,122.9775017,-567.6742097,-446.5487526,-208.9203243,286.7229095,233.6661634,1018.843734,-137.0120425,126.4274825,38.34378337,-499.2699427,-201.8157628,-445.1430559,298.7865223,310.2611487,1.933471238,0.001381297,0.783510948,-0.202882766,-1.316148327,-1.041434458,0.182509061,0.417087728,0.209240898,4.548872301,-0.99958663,0.170922784,-0.629455794,-1.217358275,0.533292861,-2.0217872,0.804110578,1.085425525,25.57408015,-6.115137727,0.591672438,-4.952067914,-5.401782201,4.977872188,-10.9293756,3.601031222,5.440747517,37.60582011,-2.329617032,11.51121189,3.355127236,-22.72184429,-21.49722852,1.601284958,7.085411943,4.192743764,0.013296373,-0.009295496,0.001072412,0.002467408,-0.001054841,-0.001919911,1.17E-04,5.49E-04,6.90E-04,35.79529414,-0.567018902,6.331367694,3.616985345,-17.20224878,-13.95464852,-8.705013514,11.9467879,25.96290705,48.51636829,-6.850602125,3.718455369,1.127758335,-15.1293922,-6.306742589,-18.54762733,12.44943843,34.47346096,0.092070059,6.91E-05,0.02304444,-0.00596714,-0.039883283,-0.032544827,0.007604544,0.017378655,0.023248989,0.216612967,-0.049979331,0.005027141,-0.018513406,-0.036889645,0.016665402,-0.084241133,0.033504607,0.120602836,1.21781334,-0.305756886,0.017402131,-0.145649056,-0.16369037,0.155558506,-0.45539065,0.150042968,0.604527502,1.790753338,-0.116480852,0.338565056,0.098680213,-0.688540736,-0.671788391,0.066720207,0.295225498,0.465860418,-0.699100086,0.080654507,0.185569982,-0.079333002,-0.144393562,0.008768563,0.041309718,0.051897043,-0.015840599,0.176877096,0.101046393,-0.480572913,-0.389845896,-0.243188769,0.33375303,0.725316209,-0.141201874,0.076643316,0.023244904,-0.311840988,-0.129992059,-0.382296284,0.256602851,0.710553205,7.50E-04,0.250292439,-0.064810865,-0.433184067,-0.35347894,0.082595192,0.188754689,0.252514106,-0.230731023,0.02320794,-0.085467671,-0.170302107,0.076936308,-0.388901618,0.154674985,0.556766467,-0.251070403,0.014289653,-0.119598835,-0.134413349,0.127735919,-0.373941256,0.123206868,0.496404073,-0.065045726,0.18906292,0.055105419,-0.38449781,-0.375142895,0.037258178,0.164861062,0.260147731,1.704307441,0.950002493,1.364194232,1.818938413,1.01389557,0.14214836,0.056196445,1.40E-04,0.998072496,0.810330885,0.910706491,1.608447568,1.394460712,1.006600202,0.402640081,0,1.376499109,0.922873418,0.966851937,1.216352829,0.989917167,1.381022709,0.552409084,0,0.71322085,0.766282258,1.188681946,2.207343491,1.682768761,0.076662635,0.030665054,0,1.575925028,0.994451356,1.093062023,1.101373292,0.771839342,1.382793661,0.553117464,0,1.608658199,1.009151229,1.137019143,1.104546107,0.7348688,1.336048222,0.534419289,0,0.621948646,0.529442801,0.874004262,2.444952515,2.005451987,0.141268027,0.066479071,0,35.98767091,18.24383546,27.13220161,36.3765598,4.041839978,18.2438355,0.5,0.081855142,0.009095016,-2.252523742,61.86673645,6.874081828,3.712484394,36.00083004,18.2496806,27.14179829,36.38857649,4.043175166,18.24968065,0.498531158,0.082184261,0.009131585,-2.248912321,62.09127289,6.899030321,3.715744901,47.77616129,23.48908617,36.14621864,47.15550321,5.239500357,23.48908617,-0.797988956,0.276508698,0.030723189,-1.156961699,37.35952835,4.151058705,3.25852919,36.01464118,18.25581539,27.15187211,36.40118865,4.044576516,18.25581544,0.4969896,0.082529337,0.009169926,-2.245141304,62.32950344,6.925500382,3.719191396,60.40654975,29.12098061,46.22590234,58.7229809,6.524775655,29.12098061,-2.164588529,0.36853843,0.040948714,-0.898389256,31.37981681,3.486646312,3.101548418,37.36769372,18.85698104,28.14656959,37.63701356,4.181890396,18.85698107,0.346268372,0.114638036,0.01273756,-1.949378068,115.9085908,12.87873231,4.277521683,34.87539898,17.7739787,26.71148292,35.50061944,3.944513271,17.77397879,1.125396825,0.028006134,0.003111793,-3.217798552,36.47150068,4.052388965,3.236878037,0,11.89,15.99591816,-0.312370165,0.288561448,4.440868656,7.924567312,8,20,18,18,6,2,2,0,0,2,15.992484,3.636993029,3.172589947,2.801102441,2.52510057,1.913060977,1.736285962,0.981550175,0.475764725,1.809105641,1.64058891,1.379096689,0.999374963,0.805934285,0.52467404,0.083923071,0.083923071,3.571536844,3.13406839,2.742884795,2.512751438,1.888889606,1.749960899,0.608616365,0.516713004,1.799904042,1.587908092,1.287527814,1.060412334,0.706038778,0.499462563,0.270913902,0.270913902,3.695304725,3.343206067,2.983515935,2.803987399,2.262247232,2.092336725,1.22811771,0.991020901,1.644846234,1.323808333,0.973961147,0.714636777,0.273562304,0.088004203,0.943918427,0.943918427,3.564527727,3.141813433,2.754609184,2.506947624,1.92904876,1.78068087,0.576320553,0.459490888,1.803198494,1.554538419,1.236316048,1.072030082,0.642181395,0.448309332,0.399277246,0.399277246,3.708852773,3.40535406,3.057099749,2.872410669,2.389777697,2.211477271,1.208936447,1.207644823,1.622523689,1.258483267,0.887318251,0.665559783,0.138305866,0.024307048,1.150971404,1.207644823,4.609016708,3.436207161,3.27646935,2.783704152,2.442884281,2.023141596,1.523917549,0.832834512,1.658552529,1.455539867,1.094090809,0.662463023,0.502061072,0.100922555,0.545454545,0.545454545,0,0,1,1,1,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0.471404521,0,0.166666667,0,0.186004234,0,0.024056261,0,1.207106781,1.138071187,0.922588984,0.357374408,0.259509969,0.187883413,7.276020882,4.218744015,3.151491193,2.359372008,1.142228525,0.402368927,0.11785113,0,0.808446765,0.527343002,0.350165688,0.262152445,0.190371421,0.134122976,0.11785113,0,6.100953631,3.02005561,1.692158017,1.030419893,0.362780929,0.155502117,0.041666667,0,0.677883737,0.377506951,0.188017557,0.114491099,0.060463488,0.051834039,0.041666667,0,11.68056503,20.98834669,20.05098039,20.36,12.75180599,161.2212671,0.556217382,0.99944508,0.95480859,0.96952381,0.607228857,7.677203194,1.44189,35.794,22.67893804,33.43671099,45.35787608,5.039764009,22.67893804,0.074496444,0.008277383,-2.337303502,115.5661487,12.84068319,4.274858774,70,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,2,2,0,1,0,0,0,0,0,0,0,0,3,0,1,0,1,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.37087963,2.175648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.452152778,0,0,0.975208333,0.854583333,0,0.452152778,0,0,0,0,0,0,0,0,5.33837963,0,0.448425926,0,1.73412037,0,0,0,0,0.441527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.68356481,4.687314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.687314815,-0.222222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.452152778,0,0,0.393680556,0.395902778,0,0.452152778,0,0,0,0,0,0,0,0,1.73412037,0,0.448425926,0,1.73412037,0,0,0,0,-0.222222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.68356481,4.687314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.68356481,1.73412037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.452152778,0,0,0.581527778,0.458680556,0,0.452152778,0,0,0,0,0,0,0,0,1.811759259,0,0.448425926,0,1.73412037,0,0,0,0,0.66375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.68356481,4.687314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.33333333,2.592592593,0.600694444,10.68356481,0.246458333,-0.222222222,2.945619583,1.888888889,3.683564815,9.741759259,1.888888889,3.683564815,9.741759259,4.16666,0.46296,0,0.03704,0.54444,0.87037,0.42414,0.52319,0.87037,0.12031,0.02126,-0.09905,0,0.53191,0.18238,0,0.44,0.24,0,7.75,0.86111,4.75,0.52778,3,0.33333,-1.75,-0.19444,0,0,6.15797,0.68422,10.5916,4.43363,0.49263,2.4466,0.27184,4.21873,1.77213,0.1969,0.19527,0.0217,0.19527,0.0217,0,8.02,2,2,2,2,0,0,0.571428571,1.312744353,2.484996099,3.332095399,3.617809684,3.617809684,3.408651712,27.56763142,52.18491807,69.97400337,75.97400337,75.97400337,71.58168595,0.298872833,0.56575968,0.758618988,0.823667631,0.823667631,0.776048583,3.07957307,1.907321324,1.060222024,0.774507738,0.774507738,0.983665711,0.294374814,0.557245028,0.747201815,0.811271479,0.811271479,0.764369095,11.97240834,23.82061322,25.7212149,26.00916491,26.00916491,23.49926924,32.89486864,19.08255806,17.28795091,16.59593241,16.59593241,15.34098457,9,4.839506173,3.555555556,9,5,4,2.01,1.1263,0.66943295,2.481111325,2.620741394,0,0.25,2.149139864,0,1,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.418,0.634,0.224,3.774,9,9,6,3,1,0,0,0,0,45,2.397895273,2.708050201,2.890371758,2.564949357,1.791759469,1.098612289,0,0,0,0,4.248495242,1.533333333,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.375,6,0.75,0,3,6,1,2,1.333333333,0.5,0.16,0.055555556,0,0,0,0,0,0.25,0.148148148,0.055555556,0.026666667,0.018518519,0,0,0,0,0,0.498888889,22.67893804,33.43671099,45.35787608,5.039764009,22.67893804,0.074496444,0.008277383,-2.337303502,115.5661487,12.84068319,4.274858774,26.3,141.9358871,4.169925001,3.555348061,4.262679877,5.003946306,5.739792912,6.487684018,7.230563153,7.979681302,8.724695047,9.473857817,75.4582485,2.833213344,0,3.970291914,0,5.313205979,0,6.739336627,0,8.201660191,8.470101584,128.0837296,6.09922522,16.4847872,1.831643022,5.25891456,5.25891456,0,98,9,1.661,34,1.226707526,2.115202327,3.013742503,3.898713723,4.799006229,5.495934494,5.661112668,4.298350923,0,0,99.85788799,123.6328222,169.8718079,166.8352669,109.6702404,68.6880154,17.54313795,4.367399632,0,0,292.7042469,355.9677437,497.0448896,584.1850469,542.0243683,527.1244216,264.9015884,133.6088416,0,0,9.472454637,16.32640179,23.30856728,31.4209181,36.56858466,38.44163688,38.45834499,28.87831594,0,0,2.031224727,2.572844224,3.550169816,4.308636691,4.529611795,5.154576156,3.228157846,1.91110229,0,0,178.1382018,336.7839422,481.284704,629.8842955,803.9503368,896.7086857,1013.037663,794.8409603,0,0,3.958830066,7.01276671,9.937257106,14.99081252,13.42545429,9.203830435,6.724232283,4.298350923,0,0,0.461870257,0.613253553,0.865442477,1.078941939,1.072292687,1.116594511,0.725983196,0.440151135,0,0,346.9938828,268.077734,14.17252093,107.8422937,-83.31592906,-13.53644365,239.1515891,351.3936631,27.70896458,0.762898601,0.589394045,0.031159617,0.237101399,-0.183177886,-0.029761141,157.8253709,121.9314515,6.446175232,49.05057652,-37.89509861,-6.156864272,0.373473318,0.404275273,3.100741302,1.726995116,407.3752936,47.46088288,0.895652797,0.104347203,657.1624589,25.6351801,8.694092342,777.572095,27.88497974,9.195603188,1159.435314,34.05048185,10.50547051,1.35904653,1.239415853,648.2780465,440.952214,220.0757373,1.470177552,2.945704304,2.003638472,4.417335822,4.388549903,7.706386711,0.75602121,5.007879559,4.781382171,3.400941713,11.7859309,3.516070234,3.881786969,8.764408755,9.515596175,7.203871196,1.690593102,3.843880221,1.496366131,3.483967196,0.028266177,3.60E-04,8.87E-28,4.21E-73,3.85E-140,6.79E-229,0,0,0,0,0,0,0,0,0,0,0,0.428136527,5.017121084,0.338452048,4.946570045,0.401899467,0.55033774,2.209894999,1.208340152,1.384810362,0.041366928,0.247231575,0.015050692,0.067457088,1.99E-04,2.54E-06,6.24E-30,2.96E-75,2.71E-142,4.78E-231,0,0,0,0,0,0,0,0,0,0,0,1.359501138,4.552123029,0.752978051,4.818528998,0.659308565,0.934426616,3.347268045,1.979629583,1.944746859,0.199768057,0.696636155,0.121405796,0.365971263,0.002074581,2.65E-05,6.51E-29,3.09E-74,2.82E-141,4.99E-230,0,0,0,0,0,0,0,0,0,0,0,4.7294644,5.029386132,3.84316158,11.62449986,3.290938199,4.433086808,8.850460965,9.507319991,6.914339026,1.526573332,3.522961528,1.33633817,3.133704477,0.025184656,3.21E-04,7.90E-28,3.75E-73,3.43E-140,6.05E-229,0,0,0,0,0,0,0,0,0,0,0,2.000044356,4.376329321,0.921719366,5.156638101,0.952600939,1.084177009,4.04646909,2.651893259,2.442321557,0.361428817,1.089685912,0.252615546,0.689324163,0.004506264,5.75E-05,1.41E-28,6.71E-74,6.14E-141,1.08E-229,0,0,0,0,0,0,0,0,0,0,0,6.047749961,4.946359771,4.636300271,15.2649864,4.74458777,5.281917836,10.73490107,12.79527151,9.67181755,2.36948146,5.146474087,2.167611286,4.941048131,0.041223558,5.26E-04,1.29E-27,6.13E-73,5.61E-140,9.91E-229,0,0,0,0,0,0,0,0,0,0,0,2.873832528,5.123917332,2.843733614,9.715558962,2.034418902,4.099326573,6.541748671,8.138931499,4.623224537,0.560822776,1.721102605,0.4626409,1.20264688,0.008409777,1.07E-04,2.64E-28,1.25E-73,1.15E-140,2.02E-229,0,0,0,0,0,0,0,0,0,0,0,5.438660088,2.20648181,0.301212162,0.684422069,0.277672225,0.551483368,0.487922208,0.380840352,7.94635406,14.30311427,25.86410601,0.526633104,1.420245928,3.404759674,1.776170428,0.049746503,0.650921464,0.339568007,0.216676955,0.317163014,0.010387788,5.230676605,6.305166603,11.83668188,0.485734206,0.544227757,4.437646554,1.838986563,0.146709838,0.690862466,0.286297427,0.368790267,0.340700359,0.09034756,6.423342956,9.081616216,16.70222477,0.536293699,0.799838187,5.225340238,2.210071262,0.284477572,0.67686727,0.286282774,0.508681025,0.488988692,0.339698804,7.719889072,13.66358211,24.66872466,0.515300904,1.337368521,4.90995601,1.903260092,0.198059037,0.700294299,0.271457054,0.451370454,0.364849106,0.164659684,7.011275139,10.69434234,19.556464,0.550441449,0.980879244,5.523651837,2.263665533,0.319478901,0.681360633,0.279230593,0.568445341,0.513025577,0.428432409,8.10679627,14.99158387,27.09304856,0.522040949,1.509903327,5.273413933,2.236683329,0.287049097,0.676326144,0.286859221,0.517832044,0.500480402,0.345867951,7.797146359,13.95072367,25.13360179,0.514489216,1.364180397 +UMLYSI0298,L,3-hexanol,CCCC(CC)O,saturated alcohols,C6H14O,623-37-0,12178,PubChem,,33.9,0,-1.2721,1.61823841,26.4947,20.697102,0,0,21,7,14,0,6,0,1,0,0,0,0,0,0,0,1135.777623,1087.00373,1240.904878,1120.893237,762.238727,344.112217,87.883488,9.144576,0,3192.664609,3993.903654,5070.762885,4922.08196,3871.471848,2491.167973,1154.675865,279.7536999,0,152.653308,149.736848,269.637448,349.779108,306.886052,235.180324,143.482752,60.466176,0,23.60118467,30.29468402,41.75499464,42.56512053,34.74178977,24.64522366,13.35045943,4.001516144,0,3535.064551,2963.092506,5878.880728,8067.283383,7143.127028,5695.212947,3692.500067,1664.258868,0,66.52777778,48.58333333,75.58333333,101.5833333,91,59,27,9,0,54.08464871,54.3501865,33.53796968,23.35194244,18.14854112,10.42764294,4.184928,1.016064,0,152.0316481,199.6951827,137.0476456,102.5433742,92.17790115,75.48993859,54.98456499,31.08374443,0,7.269205143,7.4868424,7.287498595,7.28706475,7.306810762,7.126676485,6.832512,6.718464,0,1.123865937,1.514734201,1.128513369,0.886773344,0.827185471,0.746824959,0.635736163,0.444612905,0,168.3364072,148.1546253,158.8886683,168.0684038,170.0744531,172.5822105,175.8333365,184.917652,0,3.167989418,2.429166667,2.042792793,2.116319444,2.166666667,1.787878788,1.285714286,1,0,0.225376202,-0.111818103,-0.002322036,0.008880313,-0.012798054,-0.012697246,0.013284855,0.004782171,0,638.6281311,-66.44114433,-124.5294681,-43.16831418,-163.7962896,-113.1354187,57.82885329,133.9277159,0,965.983639,-78.0117429,-326.1113896,-81.13543399,-152.0117388,-89.52523674,43.13453606,200.6691865,0,1.082321143,-0.089402612,9.04E-05,-0.153728898,-0.307271429,-0.171776653,0.100434857,0.080493796,0,4.253148428,-0.249912087,-1.75826239,-0.468733428,-0.362081721,-0.100214517,0.03962498,0.773004949,0,23.45618849,-1.219488698,-10.07216538,-2.805526077,-1.538034771,-0.085087381,-0.013079971,4.005288032,0,24.14550265,-3.867409927,-0.803980852,-1.852418745,-4.656084656,-3.677059713,1.191798942,1.592403628,0,0.0107322,-0.005590905,-6.28E-05,1.85E-04,-3.05E-04,-3.85E-04,6.33E-04,5.31E-04,0,30.41086339,-3.322057216,-3.365661299,-0.899339879,-3.899911656,-3.42834602,2.753754918,14.88085733,0,45.9992209,-3.900587145,-8.813821339,-1.690321542,-3.619327115,-2.712885962,2.054025527,22.29657628,0,0.051539102,-0.004470131,2.44E-06,-0.003202685,-0.007315986,-0.005205353,0.004782612,0.008943755,0,0.202530878,-0.012495604,-0.047520605,-0.00976528,-0.008620993,-0.003036804,0.001886904,0.085889439,0,1.116961357,-0.060974435,-0.272220686,-0.05844846,-0.036619876,-0.002578405,-6.23E-04,0.445032004,0,1.14978584,-0.193370496,-0.021729212,-0.038592057,-0.110859158,-0.111426052,0.056752331,0.176933736,0,-0.520946785,-0.005847612,0.017238452,-0.028392647,-0.03585146,0.058945243,0.049510098,0,-0.109239161,-0.110672994,-0.029572981,-0.128240741,-0.112734255,0.090551685,0.489327026,0,-0.084796809,-0.191608057,-0.036746743,-0.078682357,-0.058976781,0.044653485,0.48471639,0,-0.0867328,4.74E-05,-0.062140884,-0.141950211,-0.100998134,0.092795801,0.17353339,0,-0.06169728,-0.234633878,-0.048216252,-0.042566316,-0.014994274,0.009316623,0.424080712,0,-0.054589565,-0.243715402,-0.052328095,-0.032785266,-0.002308411,-5.58E-04,0.398430976,0,-0.168179577,-0.018898487,-0.033564561,-0.096417224,-0.096910266,0.049359045,0.15388408,0,1.442208453,0.740862895,1.073875227,1.396905336,1.116174496,0.318767025,3.25E-07,0,1.420617299,1.184517343,1.014517364,1.101894954,0.951811246,0.541634272,0,0,1.575881923,1.365369298,0.960803849,0.943670764,0.85538287,0.665871714,0,0,1.044336986,0.817763978,1.267952378,1.500176165,1.020368185,0.062606187,0,0,1.628819317,1.439953236,0.964756325,0.892402932,0.792675521,0.676086905,0,0,1.633454525,1.450934114,0.972770437,0.888836382,0.776911892,0.665911708,0,0,1.137778021,0.825824181,1.233839159,1.457762682,1.022839328,0.118330229,0,0,28.69410491,14.47205246,22.14365661,28.87267634,4.124668049,14.47205395,0.25,0.068652718,0.009807531,-1.875086186,24.60331734,3.51475962,2.2420169,28.69710084,14.47318321,22.14484236,28.87514768,4.125021097,14.4731847,0.249265579,0.068626321,0.00980376,-1.875355388,24.60279481,3.514684972,2.242002033,31.42337158,15.51218855,23.25399169,31.13837552,4.44833936,15.51218903,-0.398994478,0.039718977,0.00567414,-2.258148345,24.2022767,3.4574681,2.230512695,28.70024534,14.47437007,22.146087,28.87774163,4.125391661,14.47437156,0.2484948,0.068598607,0.009799801,-1.875638137,24.60224642,3.514606631,2.24198643,34.43038169,16.67404371,24.59530163,33.65731436,4.808187766,16.67404386,-1.082294264,0.018594657,0.00265638,-2.7894167,24.8253381,3.546476872,2.24830538,29.00895697,14.59104558,22.26862984,29.13262424,4.161803463,14.59104688,0.173134186,0.065834484,0.009404926,-1.904428054,24.54872482,3.506960688,2.240461937,31.81067131,16.19584492,25.57327741,32.22568454,4.60366922,16.19584521,0.581018519,0.063544031,0.009077719,-1.92921555,23.3341018,3.333443114,2.204941121,0,11.89,15.99491614,-0.392497892,0.065139473,4.73893066,7.169383494,6,20,20,20,6,0,0,0,0,0,15.304898,3.492740415,3.065203755,2.605281621,2.094817553,1.679552116,1.380880038,0.864324129,0.083923071,1.869288851,1.644927022,1.280956888,0.931129113,0.6789174,0.572908318,0.285181568,0.083923071,3.487926925,3.099554227,2.597727234,2.058472957,1.63830961,1.455108169,0.946197552,0.270913902,1.825070219,1.5662567,1.207509534,0.846690225,0.597420751,0.481622353,0.147530474,0.270913902,3.632749754,3.283805022,2.870530997,2.431564933,2.10960524,1.912149598,1.496848866,0.943918427,1.630640173,1.313824801,0.870300579,0.415865965,0.073970098,0.054185267,0.451253711,0.943918427,3.500430283,3.128326892,2.624842187,2.090035906,1.66674214,1.504558872,1.016973784,0.399277246,1.798161486,1.515611299,1.163392618,0.798726245,0.544059006,0.391362591,0.04541658,0.399277246,3.683713574,3.367675683,2.963403645,2.544145483,2.245499229,2.091665337,1.704168165,1.207644823,1.579676478,1.234306607,0.774011439,0.292447013,0.070375295,0.218111457,0.654583503,1.207644823,4.338171668,3.361749726,3.194300697,2.597992664,2.075153506,1.694725521,1.262196055,0.610169492,1.725763464,1.393839734,0.9487734,0.553563616,0.271945209,0.03583034,0.337629317,0.610169492,0,0,0,0,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.129099445,0,0,0,0.49279928,0.40824829,0.204124145,0.220386538,0.182574186,0.091287093,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.145884208,2.988909033,1.850746931,1.093148045,0.537347735,0.204124145,0,0,0.735126315,0.498151506,0.308457822,0.218629609,0.179115912,0.204124145,0,0,10.50759373,20.54552076,19.42745098,19.72,12.07012096,162.609612,0.500361606,0.978358131,0.925116713,0.939047619,0.574767665,7.743314856,1.5574,31.2058,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.562777778,0,8.857916667,0,0,0,0,0,0,0,0,0,0,0.562777778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.837222222,0,0,0,0,0,0,0,0,0,0,0,4.082546296,0,2.943796296,0,0,0,-0.050925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.857916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.562777778,0,8.857916667,0,0,0,0,0,0,0,0,0,0,0.562777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,2.000324074,0,0.896666667,0,0,0,-0.050925926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.857916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.562777778,0,8.857916667,0,0,0,0,0,0,0,0,0,0,0.562777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.082222222,0,1.092268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.857916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.83333333,2.261904762,0.562777778,8.857916667,0.24,-0.050925926,3.160926296,1.384259259,2.857916667,5.880925926,1.384259259,2.857916667,5.880925926,3.33333,0.47619,0,0.02381,0.46984,0.80952,0.42174,0.46984,0.74583,0.0481,0,-0.0481,0.06369,0.58823,0.12606,0,0.4,0.15,0,3.25,0.46429,3.25,0.46429,0,0,-3.25,-0.46429,0,0,6.23779,0.89111,7.07892,0.84113,0.12016,3.02648,0.43235,3.30805,0.28157,0.04022,0.10595,0.01514,0.10595,0.01514,0,6.01,1,1,1,1,1,1,1,1.115520094,1.779907716,2.819957899,3.272804327,3.232101805,2.777838836,23.42592197,37.37806204,59.21911587,68.72889087,67.8741379,58.33461555,0.253970737,0.405232032,0.642020516,0.745120175,0.735853422,0.632431259,3.276797329,2.612409707,1.572359524,1.119513095,1.160215618,1.614478587,0.258107046,0.411831867,0.65247682,0.757255617,0.74783794,0.642731386,9.935135927,15.18735361,18.7244258,19.18081577,18.09292094,14.0837751,25.72285013,19.80118464,17.18495071,16.02509509,17.3155565,13.78646074,7,4.166666667,3.84,7,0,6,2.01,1.0127,0.2,2.803965796,0.816496581,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,3.39,6,5,3,1,0,0,0,0,0,28,1.945910149,1.945910149,1.791759469,1.386294361,0.693147181,0,0,0,0,0,3.36729583,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,6,1,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,20.23,121.1225932,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,102.1044651,4.862117384,12.66537523,1.809339318,2.41660592,2.41660592,0,50,5,1.669,24,1.2214,2.117804748,2.84526667,3.510946373,4.632582222,5.605616081,7.058444873,0,0,0,77.91771384,79.79882177,75.34582022,78.41603661,57.32462425,26.8332216,7.171831732,0,0,0,269.3444456,311.3961149,315.1129729,369.1993418,382.9735903,333.6713182,219.4028965,0,0,0,9.169769619,15.51968498,20.81551853,25.69834727,33.1379277,38.42187441,47.42190778,0,0,0,1.986542612,2.508626343,2.655956119,3.207743084,3.68396497,3.767195812,3.138275679,0,0,0,178.525005,333.1421167,475.2417512,586.356947,791.5334829,975.9814418,1305.231053,0,0,0,3.0190875,4.510674159,6.181103422,7.783227924,8.55934996,7.51144163,7.058444873,0,0,0,0.431093955,0.563017587,0.616227665,0.743149204,0.840152884,0.836256682,0.722784755,0,0,0,370.2385268,233.7259285,15.21286115,161.6376418,-102.0393751,-17.60917251,208.600885,335.7653037,32.82203366,0.696099108,0.439436738,0.028602261,0.303900892,-0.191847992,-0.033107655,196.9210491,124.3132514,8.091358304,85.97120965,-54.2723119,-9.365899207,0.332842192,0.621720563,9.601548942,15.0500114,478.8219828,53.0541859,0.900250868,0.099749132,408.0877446,20.20118176,7.417391191,552.0501458,23.4957474,8.203380253,670.4854503,25.8937338,8.752452973,2.292356436,2.292356436,478.4251186,436.3701229,74.93144694,1.096374599,6.384837583,5.823591305,3.923313819,4.466158665,7.63628977,0.709811572,4.340044604,5.125367107,3.281947649,16.14650771,8.766695222,0.859644469,5.028615149,9.439508748,4.955184748,1.14813862,2.188724667,0.073937918,1.544812114,1.267677695,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.38413492,5.252196822,0.248774312,5.266304553,0.464539706,0.031967323,0.415812476,0.495610371,2.116679157,0.045156318,0.017870597,0.008212694,0.127880219,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.120585269,5.015975695,0.729369992,5.855684366,1.002449001,0.09621265,1.031733858,1.573055078,2.526302133,0.17950658,0.166288302,0.012653829,0.413976048,0.093040371,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,4.319606141,5.251897527,3.259142036,15.91278331,7.975365589,0.849431444,4.662605458,9.127942666,5.065700283,1.048495653,1.951571477,0.066739285,1.456961205,1.129478003,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,1.584635688,4.926222361,1.046695452,6.594179289,1.720780573,0.151754457,1.543447395,2.408304304,2.770599304,0.298691829,0.355674901,0.018367328,0.611301281,0.202096118,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,5.421862594,5.205622465,4.261140611,21.12694392,12.46892668,1.246403635,6.638556864,12.87421629,5.977820035,1.553540596,3.185169978,0.104196167,1.871341804,1.848788779,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,3.914732997,5.465832922,2.753515627,14.10239334,4.332200173,0.748687316,2.682903831,6.768372062,5.674590073,0.517219076,0.825265356,0.036291741,1.141740009,0.471965037,1.34E-06,2.98E-33,1.28E-81,1.06E-151,1.68E-243,0,0,0,0,0,0,0,0,0,0,0,5.403860315,0.817997023,0.565587618,0.796155306,0.120516193,0.532517383,0.451701591,0.442840919,6.787444956,7.93934712,17.22688258,0.694232959,1.427059894,4.125747657,0.597903342,0.161021188,0.844631431,0.122403985,0.310566572,0.221674667,0.033049145,4.884672186,3.227406204,8.509285183,0.766947146,0.565290385,4.83253658,0.60046334,0.329244436,0.838655267,0.104206504,0.425861123,0.244159404,0.15208212,5.762244357,4.690546054,11.4081791,0.757982901,0.822102647,5.297720982,0.834354831,0.549123345,0.792929661,0.124881,0.511683078,0.457772729,0.40399423,6.681199159,7.787445081,16.89586777,0.689394491,1.373450037,5.109095711,0.62924555,0.404366833,0.831733436,0.102437808,0.476160701,0.281958066,0.241290977,6.142708094,5.535270622,12.97796784,0.747600154,0.999409744,5.448853151,0.8526443,0.592752695,0.790347469,0.123674697,0.541385207,0.48614295,0.480185969,6.894250146,8.381163178,18.02930297,0.685521203,1.507714126,5.323500023,0.834956655,0.550315072,0.793513362,0.124457455,0.516657697,0.458222018,0.405375622,6.70877175,7.833983303,16.98884599,0.690270042,1.380255337 +UMLYSI0299,L,heptanal,CCCCCCC=O,saturated aldehyde,C7H14O,111-71-7,8130,PubChem,,33.8,0,-1.2583,1.58331889,28.3882,22.457102,0,0,22,8,14,0,7,0,1,0,0,0,0,0,0,0,1280.041744,1227.247947,1228.31021,1068.001753,871.245024,674.488295,477.731566,280.974837,51.429168,3616.181511,4450.143542,5504.67639,5201.566564,4194.768219,3187.969874,2181.171529,1174.373184,339.2921252,160.193824,154.923828,281.778512,362.73406,299.84916,236.96426,174.07936,111.19446,48.568896,26.39008467,33.66236034,46.10057466,46.50607189,37.48454303,28.46301417,19.44148531,10.41995645,2.938142673,3661.858907,3057.825133,6126.781747,8531.363909,7052.408754,5573.453599,4094.498444,2615.543289,1110.305786,82.25,52,76.25,91,78.75,66.5,54.5,44,24,58.18371564,58.44037843,31.49513359,20.94121084,20.74392914,20.43903924,19.90548192,18.7316558,8.571528,164.3718869,211.9115972,141.1455485,101.9915013,99.87543379,96.6051477,90.88214705,78.29154562,56.54868753,7.281537455,7.377325143,7.225090051,7.112432549,7.139265714,7.180735152,7.253306667,7.412964,8.094816,1.199549303,1.60296954,1.182066017,0.911883763,0.89248912,0.862515581,0.810061888,0.694663763,0.489690445,166.4481321,145.6107206,157.0969679,167.2816453,167.9144941,168.8925333,170.6041018,174.3695526,185.0509644,3.738636364,2.476190476,1.955128205,1.784313725,1.875,2.015151515,2.270833333,2.933333333,4,0.141703934,-0.027092861,-0.042186637,-0.004201065,-5.10E-04,-7.63E-04,0.002130183,0.015515452,-0.013743221,687.3645011,-46.5210804,-283.5742988,18.67914847,16.29493174,13.910715,11.52649826,9.142281529,-83.1404463,1066.90404,-96.33311012,-507.0375849,10.7469323,10.42921586,10.11149942,9.793782976,9.476066534,19.36117795,1.085692364,-0.003217983,-0.079761917,-0.003357752,-0.022351603,-0.041345455,-0.060339306,-0.079333157,-0.253139008,4.734521863,-0.459492824,-2.215713784,-0.037563197,-0.038301025,-0.039038854,-0.039776682,-0.040514511,0.503139946,26.12162368,-2.544279046,-11.95715279,-0.35944787,-0.371318606,-0.383189342,-0.395060079,-0.406930815,3.356566704,34.23863636,1.806301653,-1.877582645,-0.825929752,-1.694214876,-2.5625,-3.180785124,-1.560433884,-7.224173554,0.006441088,-0.001290136,-0.001081709,-8.24E-05,-1.22E-05,-2.31E-05,8.88E-05,0.001034363,-0.002290537,31.24384096,-2.215289543,-7.271135868,0.366257813,0.387974565,0.421536818,0.480270761,0.609485435,-13.85674105,48.49563818,-4.587290958,-13.00096372,0.210724163,0.248314663,0.306409073,0.408074291,0.631737769,3.226862992,0.049349653,-1.53E-04,-0.002045177,-6.58E-05,-5.32E-04,-0.001252893,-0.002514138,-0.005288877,-0.042189835,0.215205539,-0.021880611,-0.056813174,-7.37E-04,-9.12E-04,-0.001182996,-0.001657362,-0.002700967,0.083856658,1.187346531,-0.121156145,-0.306593661,-0.007047997,-0.008840919,-0.011611798,-0.016460837,-0.027128721,0.559427784,1.556301653,0.086014364,-0.048143145,-0.016194701,-0.040338449,-0.077651515,-0.132532713,-0.104028926,-1.204028926,-0.200297876,-0.167938812,-0.012788805,-0.001886964,-0.003591268,0.013779911,0.160588316,-0.355613359,-0.07090324,-0.232722215,0.01172256,0.012417633,0.013491837,0.015371694,0.019507379,-0.443503123,-0.094591826,-0.268085218,0.004345219,0.00512035,0.006318281,0.00841466,0.013026693,0.066539242,-0.003105134,-0.041442589,-0.001334118,-0.010783886,-0.025388072,-0.050945399,-0.107171516,-0.854916544,-0.101673083,-0.263994943,-0.003422464,-0.00423748,-0.00549705,-0.007701297,-0.012550641,0.389658453,-0.102039415,-0.258217507,-0.005935923,-0.007445947,-0.00977962,-0.013863549,-0.022848192,0.471157972,0.05526844,-0.030934327,-0.010405888,-0.025919429,-0.0498949,-0.085158756,-0.066843677,-0.773647527,0.953818897,0.835874258,0.692427357,0.781828054,0.939101792,1.199569848,1.69219973,4.176183697,1.244484016,1.232328422,0.864632074,0.873779649,0.88791681,0.912656843,0.967084914,1.716458914,1.493214171,1.393199949,0.907718226,0.891219282,0.865720914,0.82109877,0.722930053,0.410625604,0.532603912,0.62528139,0.674042743,0.796636348,0.986099193,1.317659171,2.047091123,5.453829462,1.567567372,1.417422104,0.909647113,0.892000022,0.864727245,0.816999884,0.711999691,0.020271297,1.571413854,1.409614516,0.905589655,0.890357717,0.866817451,0.825621983,0.734991956,7.73E-05,0.467308331,0.595649621,0.665957322,0.80136077,1.010620644,1.370436442,2.064918686,5.520079655,40.98373063,20.61686531,33.43953723,41.17123063,5.146403828,20.61686532,0.25,0.066122084,0.008265261,-2.17300199,32.54171086,4.067713858,2.786018142,40.98565472,20.61746015,33.44041302,41.17260391,5.146575489,20.61746016,0.249265579,0.066089351,0.008261169,-2.173398123,32.54156274,4.067695342,2.786014501,42.69205601,21.14653076,34.24066074,42.39281015,5.299101269,21.14653077,-0.398994478,0.035793447,0.004474181,-2.663992361,32.68875194,4.086093993,2.789624833,40.9876741,20.61808445,33.44133224,41.1740452,5.14675565,20.61808445,0.2484948,0.066054993,0.008256874,-2.173814124,32.54140798,4.067675997,2.786010696,44.50590751,21.71180662,35.14834543,43.69418681,5.461773351,21.71180662,-1.082294264,7.92E-04,9.90E-05,-5.712475249,33.61495165,4.201868956,2.811976766,41.18522874,20.67918146,33.53156344,41.31507938,5.164384922,20.67918146,0.173134186,0.062676957,0.00783462,-2.215809127,32.52975273,4.066219091,2.785724111,45.24314387,22.56636416,37.12479935,45.56627312,5.69578414,22.56636416,0.646258503,0.10421238,0.013026548,-1.809059477,32.37521625,4.046902031,2.78191456,0,11.98866242,16.00592497,-0.389462802,0.206342669,3.42814784,7.050518658,7,21,20,20,6,1,1,0,0,1,16.262898,3.500636608,3.255166545,2.838764901,2.317918168,1.796635492,1.382537324,1.135618073,0.495488033,1.894508769,1.673525641,1.355406659,1.021693246,0.756055107,0.591011513,0.511073744,0.083923071,3.506647009,3.232454565,2.81054118,2.309608852,1.828834569,1.462920903,1.252231939,0.412465662,1.839451756,1.623212081,1.303903155,0.954097391,0.65903934,0.463769789,0.361034749,0.270913902,3.642338492,3.407558279,3.038054783,2.601074603,2.195006965,1.900956297,1.738325541,1.060233618,1.653604256,1.395928571,1.015214586,0.589538786,0.215182628,0.04280398,0.181208039,0.943918427,3.523429058,3.243339167,2.820843499,2.329903769,1.870285417,1.529724481,1.337491734,0.424103116,1.80605307,1.594770719,1.273064073,0.908783474,0.590510181,0.37350564,0.257252845,0.399277246,3.697206685,3.46218114,3.105825596,2.698379033,2.333633765,2.078641955,1.940382829,1.208173581,1.599449597,1.338250295,0.945072181,0.493239505,0.080405299,0.21582502,0.379067108,1.207644823,4.972364366,3.481205567,3.155699051,2.666639428,2.151279363,1.742321037,1.496316298,1.317944433,1.770451057,1.457158309,1.047326691,0.648789442,0.338301262,0.146308867,0.053694785,0.608695652,0,0,1,0,0,1,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.521132466,3.351057332,2.016001973,1.175528666,0.654447596,0.337764333,0.143728739,0.041666667,0.690141558,0.478722476,0.336000329,0.235105733,0.163611899,0.112588111,0.07186437,0.041666667,11.50759373,21.54552076,20.42745098,20.72,13.07012096,169.3523066,0.523072442,0.979341853,0.928520499,0.941818182,0.594096407,7.697832118,2.1557,34.823,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,6,1,0,1,0,0,0,0,0,0,0,0,1,0,5,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.768008787,0.995694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.572050737,0,0,1.674726828,0.401388889,0,0.572050737,0,0,0,0,0,0,0,0,2.167569444,0,5.568727324,0,0.995694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.768008787,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.768008787,0.995694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.572050737,0,0,0.224633291,0.401388889,0,0.572050737,0,0,0,0,0,0,0,0,2.167569444,0,0.75,0,0.995694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.768008787,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.768008787,0.995694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.572050737,0,0,0.401388889,0.401388889,0,0.572050737,0,0,0,0,0,0,0,0,2.167569444,0,1.271666667,0,0.995694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.768008787,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.5,2.3125,0.653222435,9.768008787,0.224633291,0.75,3.899311015,1.004305556,2.768008787,5.871156463,1.004305556,2.768008787,5.871156463,3.83333,0.47917,0,0.02083,0.4803,0.79583,0.42308,0.4803,0.79583,0.05723,0,-0.05723,0,0.60209,0.1122,0,0.21739,0,0,5.25,0.65625,3.75,0.46875,1.5,0.1875,-2.25,-0.28125,0,0,6.19617,0.77452,7.95768,1.76151,0.22019,3.17274,0.39659,3.91421,0.74147,0.09268,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7.01,1,1,1,1,0,0,0.857142857,1.143320102,1.909171785,2.879664005,3.243300369,2.765744122,2.561993249,25.15304225,42.00177927,63.35260811,71.35260811,60.84637068,56.36385148,0.256382472,0.428119982,0.645746869,0.727290078,0.620201039,0.574511164,3.316111517,2.550259833,1.579767614,1.21613125,1.693687497,1.89743837,0.256382472,0.428119982,0.645746869,0.727290078,0.620201039,0.574511164,9.968326343,16.56176883,19.53843245,17.90633701,15.62150752,16.61297099,29.50877429,22.03544183,19.07131561,21.05656348,24.39720591,18.53415796,8,7,7.2,8,1,7,2.12,1.1106,0,2.00414513,0,0,7.473424937,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.423,0.415,0.622,0.171,3.91,6,5,4,3,2,1,0,0,0,36,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,3.784189634,1.194444444,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.714285714,6,0.857142857,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,17.07,135.7821191,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,114.1044651,5.186566594,14.83110795,1.853888494,2.407741475,2.407741475,0,84,5,2.863,26,1.234,2.137960194,2.864783922,3.594115711,4.93900722,5.935482204,7.251692387,8.302880896,0,0,82.71678971,74.97455407,72.9674541,96.8027963,119.9687322,140.6623031,154.2144003,75.80469014,0,0,286.5567336,322.0398445,321.6067502,423.8827434,524.5355327,597.2140148,602.3071975,485.1432547,0,0,9.134644842,15.50070971,20.45347476,25.95590971,35.69226133,43.43964221,54.16543275,68.05487397,0,0,2.115004465,2.647686475,2.770937924,3.60746921,4.5292609,5.139286656,5.193586386,4.093502702,0,0,177.5269516,332.5272349,475.8391534,590.0896037,826.0444691,1000.925931,1258.135166,1536.537922,0,0,3.110190476,4.294895932,5.312151515,7.394820549,10.52290584,14.50103085,22.68263447,35.0524353,0,0,0.450084286,0.577105914,0.617369067,0.811216501,1.03858296,1.2178401,1.341513537,1.306740732,0,0,321.7586144,185.7548697,12.6930414,88.93850439,-51.34519964,-18.19305444,232.82011,237.1000693,30.88609583,0.783445025,0.452291631,0.030906088,0.216554975,-0.125019625,-0.044297984,132.1453359,76.28898977,5.212995529,36.5267875,-21.08732555,-7.471835039,0.207313699,0.524572223,5.620012663,27.5180457,358.2390501,52.45806869,0.872270668,0.127729332,505.2198795,22.47709678,7.964529838,640.8383846,25.31478589,8.621500128,757.2664959,27.51847554,9.114851151,2.967295673,2.967295673,973.9123569,951.2024833,42.72688752,1.02387491,22.79389896,22.26238648,4.332290765,4.848282265,9.194097615,0.896361868,3.917822784,5.734779026,2.938847434,22.40476342,9.909713861,0.420669411,3.738684898,6.262242749,11.87691048,0.624850562,1.632203304,5.530056318,3.256631844,2.431351393,2.746928243,0.810502526,0.046224694,1.73E-04,1.24E-28,1.73E-74,4.63E-142,2.39E-231,0,0,0,0,0,0,0,0,0.345289482,5.734573223,0.247424598,5.291663834,0.071838845,0.465291247,0.504277868,0.181282027,3.249002293,0.022935868,0.707513602,0.311811023,0.084825563,0.824141471,0.110963481,0.901097265,0.005167371,1.93E-05,1.39E-29,1.93E-75,5.17E-143,2.67E-232,0,0,0,0,0,0,0,0,1.067258616,5.734469608,0.652713962,6.419299431,0.732273449,0.254876793,1.15018769,0.812031334,4.339722931,0.093480482,0.461045598,1.091623177,0.3979606,0.965171108,0.436989542,0.503104648,0.008951369,3.34E-05,2.41E-29,3.34E-75,8.96E-143,4.63E-232,0,0,0,0,0,0,0,0,3.70321596,5.734814928,3.060870261,20.6618478,8.831363953,0.528223139,3.585200565,5.673997174,11.7677706,0.569493045,1.689602365,5.109972968,2.94420384,2.845963011,2.510547723,1.067588152,0.058059932,2.17E-04,1.56E-28,2.17E-74,5.81E-142,3.00E-231,0,0,0,0,0,0,0,0,1.565367409,5.734446872,0.888078223,7.902282789,1.585623324,0.179273519,1.585259635,1.426292498,5.136558298,0.157441744,0.433414659,1.711583186,0.71217864,0.978435203,0.723752283,0.347030487,0.008863527,3.31E-05,2.38E-29,3.31E-75,8.87E-143,4.58E-232,0,0,0,0,0,0,0,0,4.731361413,5.734944962,3.882480773,30.15232912,14.4464002,0.526387623,4.50906377,8.685482685,15.07034511,0.85082981,2.246016511,7.20131356,4.54771888,3.225294048,3.707309349,1.016948553,0.067511573,2.52E-04,1.82E-28,2.52E-74,6.76E-142,3.49E-231,0,0,0,0,0,0,0,0,2.445266075,5.320732131,3.617808444,12.19089066,3.680685618,1.383780934,2.635652552,2.65077813,11.47032054,0.276176837,2.475449532,3.292048449,1.363848976,5.343282266,1.459300393,3.824766902,0.119887123,4.48E-04,3.22E-28,4.48E-74,1.20E-141,6.20E-231,0,0,0,0,0,0,0,0,7.199808626,0.807192384,0.451399916,0.851202099,0.095430849,0.528652417,0.587282466,0.545442758,8.458400927,9.425990276,20.50776081,0.776803149,1.661377641,8.832322349,0.286912775,0.087664593,0.959315581,0.0311628,0.795553159,0.074293728,0.020571913,9.206899717,3.33354015,12.76259125,0.938973371,0.8904188,7.427263314,0.503628227,0.233792688,0.909681637,0.061683736,0.562570624,0.228912557,0.146314741,8.164684229,5.594763909,14.63396827,0.864522455,0.937797921,7.49910121,0.781515254,0.43507249,0.860414048,0.089667639,0.573517995,0.550495719,0.506698337,8.715688954,9.463330411,20.72883217,0.790621071,1.630712051,6.978788096,0.604559524,0.303374525,0.884878149,0.07665536,0.496683854,0.329811993,0.246368086,7.886722145,6.51968729,15.68637471,0.827317224,1.072863932,7.260539993,0.842679463,0.477491618,0.846146657,0.098206251,0.537611352,0.639906848,0.61032019,8.580711075,9.987527317,21.48967915,0.769219986,1.78783839,7.582658216,0.780359833,0.434798518,0.861879554,0.088699262,0.586369574,0.54887807,0.506060386,8.797816566,9.553429751,20.92403693,0.792819331,1.64130803 +UMLYSI0300,L,methyl-2-pentenoate,CCC=CC(=O)OC,unsaturated esters,C6H10O2,15790-88-2,5364718,UML,,33.6,0,0.1356,0.01838736,31.0422,18.83193,0,0,18,8,10,0,6,0,2,0,0,0,0,0,0,0,1387.681368,1274.619331,1406.023855,1183.860858,879.64238,683.946067,304.609705,78.738912,9.144576,3284.720409,3749.622277,4241.647271,3884.622953,3165.345847,2346.68921,1582.533001,874.9221648,279.7536999,139.131168,131.440036,217.318252,210.425664,187.27328,155.627164,120.111076,83.016576,60.466176,22.46593705,26.3090631,31.4430657,29.70475953,24.28882755,18.06913954,12.89906818,9.348943289,4.001516144,2980.845228,2498.432887,4533.639786,4559.3885,3942.01049,3355.581866,2558.265711,2028.241198,1664.258868,92.27777778,56.83333333,96.33333333,85.16666667,78.91666667,64,47,18,9,77.09340933,74.97760771,50.21513768,42.28074493,36.65176583,34.19730335,20.30731367,6.561576,1.016064,182.4844672,220.5660163,151.4874025,138.736534,131.8894103,117.3344605,105.5022,72.9101804,31.08374443,7.729509333,7.731766824,7.761366143,7.515202286,7.803053333,7.7813582,8.007405067,6.918048,6.718464,1.248107614,1.547591947,1.122966632,1.060884269,1.012034481,0.903456977,0.859937879,0.779078607,0.444612905,165.6025127,146.9666404,161.9157066,162.8353036,164.2504371,167.7790933,170.5510474,169.0200999,184.917652,5.12654321,3.343137255,3.44047619,3.041666667,3.288194444,3.2,3.133333333,1.5,1,0.282477028,-0.175743122,0.035557748,0.046113258,-0.048665138,0.024289914,-0.037080149,0.003101203,0.011187772,663.856216,-9.534489444,43.33050744,81.06705711,-243.896036,-105.3744894,-342.757991,-10.76266667,256,866.1096724,-133.5335166,-8.818559123,19.86062871,-235.9509192,-99.54902147,-193.5741718,-107.2639409,325.7746642,1.881856,-0.014157778,0.546221778,-0.056048889,-0.613362667,-0.441555111,-0.807710667,0.187621333,0.258064,3.87734243,-0.994912954,0.041827065,-0.402202102,-0.72496499,-0.419807076,0.10060515,-0.638098879,1.098882572,21.92945949,-6.116843013,0.634819861,-3.091587993,-3.629512234,-2.441785814,1.898525748,-3.654739055,5.436392757,36.56790123,-1.385116598,10.58573388,2.351165981,-17.45164609,-6.044581619,-13.8899177,2.362139918,5.188271605,0.015693168,-0.010337831,0.00126992,0.001646902,-0.002027714,0.001214496,-0.00247201,2.58E-04,0.001243086,36.88090089,-0.56085232,1.547518123,2.89525204,-10.16233483,-5.268724472,-22.85053273,-0.896888889,28.44444444,48.11720402,-7.854912743,-0.31494854,0.709308168,-9.831288302,-4.977451073,-12.90494479,-8.938661742,36.19718492,0.104547556,-8.33E-04,0.019507921,-0.002001746,-0.025556778,-0.022077756,-0.053847378,0.015635111,0.028673778,0.215407913,-0.058524291,0.001493824,-0.014364361,-0.030206875,-0.020990354,0.00670701,-0.053174907,0.122098064,1.218303305,-0.359814295,0.022672138,-0.110413857,-0.151229676,-0.122089291,0.126568383,-0.304561588,0.60404364,2.031550069,-0.081477447,0.378061924,0.083970214,-0.72715192,-0.302229081,-0.925994513,0.196844993,0.576474623,-0.658747207,0.080921811,0.104943888,-0.129209987,0.077390091,-0.157521408,0.016467902,0.079211903,-0.015207121,0.041959879,0.078502747,-0.275544647,-0.142857803,-0.619576317,-0.024318519,0.771251346,-0.163245411,-0.006545446,0.014741259,-0.204319609,-0.103444312,-0.268198143,-0.185768519,0.752271161,-0.007965853,0.186593752,-0.019146751,-0.244451223,-0.211174288,-0.515051524,0.149550231,0.274265406,-0.271690537,0.00693486,-0.066684462,-0.140231035,-0.097444674,0.031136321,-0.246856793,0.566822555,-0.29534049,0.018609601,-0.090629202,-0.124131385,-0.100212558,0.103889058,-0.249988313,0.495807273,-0.040106049,0.186095302,0.041333076,-0.357929608,-0.148767725,-0.455806887,0.096893991,0.283760972,1.647605674,0.978635939,0.882823348,1.204498895,1.181354129,1.250277705,0.111385358,0.02711084,0.947774903,0.93182072,0.83632777,1.262322145,1.138395663,1.667684368,0.775063223,0,1.359308315,0.97987202,0.962698016,1.119371624,0.970888327,1.064047336,1.104700175,0,0.720180503,0.853894013,0.804954296,1.416268434,1.428740722,2.073413127,0.053560421,0,1.589299252,0.989033858,1.046590918,1.065283048,0.945389864,0.751465907,1.103153329,0,1.626717752,0.986391463,1.063339658,1.062510348,0.957153372,0.706396482,1.059505317,0,0.590226199,0.549288005,0.851373348,1.874082124,1.363673194,2.006769075,0.116222147,0,30.74266664,15.62133332,24.35668356,31.11766664,3.88970833,15.62133396,0.5,0.161565019,0.020195627,-1.458278097,39.69858555,4.962323194,2.945052447,30.75246317,15.62549716,24.36201079,31.12636153,3.890795192,15.6254978,0.498531158,0.161260697,0.020157587,-1.459786392,39.65316878,4.956646097,2.944136691,39.61535484,19.40868294,29.60031966,39.01686312,4.87710789,19.40868295,-0.797988956,0.102292391,0.012786549,-1.82393599,33.91648093,4.239560116,2.819120848,30.76274543,15.62986752,24.36760321,31.13548764,3.891935954,15.62986815,0.4969896,0.160941292,0.020117661,-1.461372503,39.6057945,4.950724312,2.943180347,49.25600434,23.54570791,36.14482687,47.63256295,5.954070369,23.54570791,-2.164588529,0.311500912,0.038937614,-0.93308241,184.2486911,23.03108638,4.173029142,31.77169107,16.05897972,24.9216607,32.03139234,4.003924043,16.05898011,0.346268372,0.129640904,0.016205113,-1.63438954,36.07869417,4.509836772,2.868562002,29.53743271,15.11667342,24.0350907,30.09880838,3.762351047,15.1166747,1.122751323,0.295241218,0.036905152,-0.975970054,53.32831853,6.666039817,3.181173996,0,11.99635523,15.99825889,-0.346448376,0.285367915,4.041900749,6.812281183,7,17,15,15,5,2,2,0,0,2,13.80607,3.580581434,3.14656535,2.693068523,2.356207657,1.592013436,1.091245857,0.81353632,0.083923071,1.806056171,1.487296053,1.324857936,0.8515307,0.506986089,0.212818327,0.083923071,0.083923071,3.517779345,3.057345877,2.684110289,2.27427134,1.645025034,0.91846,0.634051094,0.270913902,1.777332728,1.500004483,1.251629982,0.831687163,0.499154778,0.087066126,0.270913902,0.270913902,3.650875549,3.295430681,2.938194683,2.564231938,2.031731416,1.438013789,1.255788432,0.943918427,1.610675825,1.207734885,0.942309485,0.476670574,0.047630277,0.491672257,0.943918427,0.943918427,3.515135177,3.041199348,2.705531504,2.263552198,1.692142951,1.000589143,0.46514343,0.399277246,1.771513745,1.500020802,1.20518734,0.823037559,0.442812411,0.016143375,0.399277246,0.399277246,3.671559501,3.334688484,3.027024439,2.622047855,2.177958724,1.647058173,1.209058028,1.207644823,1.5796322,1.165952661,0.851488719,0.417927107,0.086589529,0.696012215,1.207644823,1.207644823,4.566187658,3.402224493,3.143096097,2.783894214,1.918409707,1.700353473,1.168107292,0.537313433,1.677818714,1.221657703,1.059102257,0.543420857,0.095507475,0.243592281,0.537313433,0.537313433,0,0,1,2,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.048112522,0,0,0,0.49279928,0.348461713,0.288675135,0.0758903,0.047419633,0.03928371,6.405777394,3.808060412,2.655648531,1.747400241,0.756710003,0.49279928,0.144337567,0,0.800722174,0.54400863,0.379378362,0.291233373,0.189177501,0.164266427,0.144337567,0,5.1783039,2.553860121,1.333776956,0.690820618,0.282117557,0.144337567,0.048112522,0,0.647287988,0.36483716,0.190539565,0.11513677,0.070529389,0.048112522,0.048112522,0,10.13873723,18.10050983,17.3254902,17.6,10.9532515,138.193012,0.563263179,1.00558388,0.962527233,0.977777778,0.608513972,7.677389554,1.05179,31.177,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,63,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,1,0,2,0,0,0,0,0,0,0,0,2,0,1,0,2,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.58819444,2.88712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.044513889,0,0,0.711805556,0.395902778,0,1.044513889,0,0,0,0,0,0,0,0,3.321203704,0,0.870138889,0,3.172453704,0,0,0,0,-0.285324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.26166667,4.326527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.326527778,-0.285324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.459097222,0,0,0.315902778,0.395902778,0,0.459097222,0,0,0,0,0,0,0,0,1.363425926,0,0.870138889,0,1.416666667,0,0,0,0,-0.285324074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.26166667,4.326527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.26166667,1.755787037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.585416667,0,0,0.395902778,0.395902778,0,0.585416667,0,0,0,0,0,0,0,0,1.957777778,0,0.870138889,0,1.755787037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.26166667,4.326527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.66666667,2.708333333,0.635763889,10.26166667,0.315902778,-0.285324074,2.782684676,1.951990741,3.261666667,8.176388889,1.951990741,3.261666667,8.176388889,3.66666,0.45833,0,0.04167,0.56296,0.89167,0.42308,0.53667,0.89167,0.13989,0.0263,-0.11359,0,0.51402,0.20027,0,0.36364,0.13636,0,7.25,0.90625,4.25,0.53125,3,0.375,-1.25,-0.15625,0,0,4.35591,0.54449,8.4771,4.12118,0.51515,2.10092,0.26262,3.80805,1.70713,0.21339,0.10595,0.01324,0.10595,0.01324,0,7.02,2,2,2,2,0,0,0.5,1.351644115,2.725480557,3.530493057,3.530493057,3.530493057,3.298830557,24.32959407,49.05865003,63.54887502,63.54887502,63.54887502,59.37895002,0.324141109,0.653604215,0.846656248,0.846656248,0.846656248,0.791100693,2.818280886,1.444444444,0.639431945,0.639431945,0.639431945,0.871094445,0.318189072,0.641602416,0.831109534,0.831109534,0.831109534,0.776574117,12.44827692,24.96954922,25.78086097,25.78086097,25.78086097,23.00091097,29.36606616,16.91061112,15.79916528,15.79916528,15.79916528,14.40919028,8,5.142857143,5,8,5,5,1.9,0.9854,0.166666667,2.249576847,0.707106781,0,2.381101578,1.650963624,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.446,0.43,0.658,0.216,3.298,7,6,4,3,1,0,0,0,0,36,2.302585093,2.48490665,2.63905733,2.397895273,2.197224577,1.098612289,0,0,0,0,4.127134385,1.694444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,5,0.714285714,0,3,6,1,1.5,0.666666667,0.25,0.16,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.041666667,0.04,0.018518519,0,0,0,0,0,0.409708995,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,26.3,124.6399025,4,3.36729583,4.007333185,4.691347882,5.361292166,6.052089169,6.72982407,7.422373701,8.102586425,8.795582217,69.52972465,2.708050201,0,3.761200116,0,4.990432587,0,6.289715571,0,7.623153068,7.934871566,114.0680796,6.337115531,14.66013744,1.832517181,5.1060516,5.1060516,0,76,6,1.521,28,1.224766019,2.118009065,2.950415736,3.793915925,5.067752022,6.109371669,7.2621344,8.044111991,0,0,102.9798505,118.4753556,138.6737726,164.51515,191.6945028,136.010356,49.92434873,8.173332606,0,0,291.4853188,347.1384469,443.0268749,560.5136581,634.3161595,684.0836427,546.6296679,250.0411213,0,0,9.552623483,16.57647369,22.25117606,29.57730931,39.61929622,48.88839749,50.32161092,54.04407682,0,0,1.995175454,2.520295348,3.318575347,4.207935972,4.790920192,5.524883945,5.794882902,3.576515999,0,0,178.5086253,339.0329212,476.2815363,610.502942,843.5670489,1033.004993,1220.929711,1487.498302,0,0,4.262676899,7.733048577,9.15749561,12.39930168,16.57398154,18.85565868,11.09816932,8.044111991,0,0,0.461929437,0.607127153,0.786312327,1.026801702,1.225765917,1.39289122,1.271480968,0.823717068,0,0,301.6056575,227.4310216,13.02260312,142.7102906,-107.6131908,-19.85009831,158.8953669,335.0442124,32.87270143,0.678808984,0.511867788,0.029309331,0.321191016,-0.242199703,-0.044675638,134.0082036,101.05123,5.786150251,63.40845806,-47.81425691,-8.819715251,0.37840822,0.418520096,2.856102773,8.128742422,383.6551891,60.66075893,0.86347382,0.13652618,595.343599,24.39966391,8.412451296,695.6474455,26.3751293,8.860598644,953.3634649,30.87658441,9.842063625,2.367882659,2.367882659,712.9334769,657.6370208,64.89843904,1.084083551,10.98537172,10.13332571,4.147146897,4.6617878,9.059609893,0.943376722,4.159282092,3.810034499,2.771902122,10.46073274,3.767146115,1.527698756,4.621441977,2.307098523,10.57528617,0.150965862,1.335198325,2.732565627,2.582870226,3.301130103,0.100005749,1.396229278,0.700939338,3.78E-09,3.93E-39,7.87E-91,3.04E-164,2.27E-259,0,0,0,0,0,0,0,0,0.35769547,4.072537233,0.270199242,3.789661814,0.188819988,0.795682702,0.641841711,0.22068597,2.018415875,0.012669802,0.62237835,0.185684033,0.167601113,0.180964551,0.008331328,0.009940675,0.004936773,2.66E-11,2.76E-41,5.54E-93,2.14E-166,1.60E-261,0,0,0,0,0,0,0,0,1.129881082,3.57778164,0.62678229,4.065406088,0.391380593,0.68099684,1.372981276,0.343011061,2.877270547,0.040898816,0.514021837,0.626541922,0.424816422,0.629814333,0.026935042,0.102750023,0.051444982,2.77E-10,2.88E-40,5.78E-92,2.23E-165,1.67E-260,0,0,0,0,0,0,0,0,3.928697533,4.074805738,3.075258994,10.63594199,3.416543908,1.642153703,4.631195854,2.136116134,10.9124341,0.14249955,1.411476381,2.552429323,2.695648783,3.043592587,0.09435495,1.244088769,0.624524331,3.37E-09,3.50E-39,7.01E-91,2.71E-164,2.02E-259,0,0,0,0,0,0,0,0,1.661270189,3.389996156,0.787831189,4.415141328,0.69000108,0.687932546,1.827466392,0.520418703,3.50050433,0.0602772,0.519054048,0.951691299,0.584166312,0.993769356,0.03973827,0.222923679,0.111745375,6.02E-10,6.26E-40,1.25E-91,4.85E-165,3.62E-260,0,0,0,0,0,0,0,0,5.022946257,3.979703157,3.733982808,13.67493197,5.409974201,1.846788695,5.735065085,3.216240519,13.9899554,0.182313199,1.6932954,3.446057628,3.622483684,4.330207723,0.120971894,2.035920446,1.022254149,5.51E-09,5.72E-39,1.15E-90,4.44E-164,3.31E-259,0,0,0,0,0,0,0,0,2.30606053,4.299914062,2.204143315,9.508884019,1.561459174,1.677457774,3.06788171,1.148918044,9.383559181,0.087170208,1.280090867,1.243115564,1.548724795,1.514180368,0.057513661,0.403500893,0.2023652,1.09E-09,1.13E-39,2.27E-91,8.78E-165,6.55E-260,0,0,0,0,0,0,0,0,8.427687604,0.780204863,0.264650844,0.889696392,0.082364877,0.603947816,0.509776252,0.333275243,9.47254331,9.01219936,20.22490741,0.834544588,1.446999311,5.9613864,0.529678374,0.042068133,0.912485095,0.081075708,0.302791984,0.23526536,0.008420986,6.533132908,3.430684432,10.09665241,0.868727642,0.54647833,6.982600068,0.546319362,0.127289685,0.91201794,0.071356379,0.414805682,0.250394804,0.077097965,7.656209115,4.773083399,12.91486825,0.868026911,0.742298451,8.223175636,0.787369004,0.248421651,0.88813107,0.085038543,0.575086149,0.51956379,0.293653632,9.258966291,8.713087988,19.58050339,0.832196604,1.388303571,7.515302701,0.578929001,0.173651,0.908975486,0.070021434,0.480324238,0.280856121,0.143486508,8.267882702,5.756398116,14.77980622,0.86346323,0.904666868,8.585643162,0.818668304,0.280693541,0.886488252,0.084529466,0.626791591,0.561244459,0.374905081,9.685005007,9.668523409,21.32646547,0.829732378,1.562941131,8.238439314,0.792356232,0.251062009,0.887585191,0.085366127,0.577372154,0.526593372,0.299929019,9.281857555,8.795068404,19.7158032,0.831377787,1.403894544 +UMLYSI0301,L,3-methyl-2-butanol,CC(C)C(C)O,saturated alcohols,C5H12O,598-75-4,11732,PubChem,,33.3,0,0.1135,0.01288225,26.129,17.603516,0,0,18,6,12,0,5,0,1,0,0,0,0,0,0,0,989.481374,918.525433,1168.26235,990.682652,288.614592,24.385536,0,0,0,2706.980219,3340.91352,4382.343187,4417.200846,2782.23679,746.0098663,0,0,0,131.675864,127.961068,226.931656,289.289216,304.280064,161.243136,0,0,0,19.92305886,25.2786954,35.07372878,37.5571801,28.57971216,10.67070972,0,0,0,3038.434891,2530.053054,4960.145442,6397.557602,7323.009673,4438.023649,0,0,0,63.55555556,44.44444444,69,100.3333333,86,24,0,0,0,54.97118744,54.03090782,37.68588226,25.40211928,6.871776,1.016064,0,0,0,150.3877899,196.5243247,141.3659093,113.2615602,66.24373311,31.08374443,0,0,0,7.315325778,7.527121647,7.320376,7.417672205,7.244763429,6.718464,0,0,0,1.106836603,1.486982082,1.131410606,0.963004618,0.680469337,0.444612905,0,0,0,168.8019384,148.8266503,160.0046917,164.0399385,174.3573732,184.917652,0,0,0,3.530864198,2.614379085,2.225806452,2.572649573,2.047619048,1,0,0,0,0.22017335,-0.113263499,0.010056643,0.009340017,-0.056417787,0.040197951,0,0,0,557.7912351,-66.11605249,38.32572253,-300.5010026,-313.6294728,363.0251879,0,0,0,815.6252945,-79.2452518,-29.61759292,-503.2787852,-320.2830611,524.6120438,0,0,0,1.059967111,-0.095141383,0.026971753,-0.277528296,-0.432894815,0.248609185,0,0,0,3.576219349,-0.265723223,-0.457678838,-2.218513513,-0.811771444,1.965577344,0,0,0,19.7674611,-1.32649563,-3.054003327,-12.10240198,-3.490811977,10.08998237,0,0,0,24.04938272,-5.157750343,1.729766804,-2.711934156,-11.44855967,5.563786008,0,0,0,0.012231853,-0.006662559,3.24E-04,2.39E-04,-0.001343281,0.001674915,0,0,0,30.98840195,-3.889179558,1.23631363,-7.705153914,-7.4673684,15.12604949,0,0,0,45.31251636,-4.6614854,-0.955406223,-12.90458424,-7.62578717,21.85883516,0,0,0,0.058887062,-0.005596552,8.70E-04,-0.00711611,-0.010307019,0.010358716,0,0,0,0.198678853,-0.015630778,-0.014763833,-0.056884962,-0.019327892,0.081899056,0,0,0,1.098192283,-0.078029155,-0.098516236,-0.310318,-0.083114571,0.420415932,0,0,0,1.336076818,-0.303397079,0.055798929,-0.069536773,-0.272584754,0.231824417,0,0,0,-0.544689253,0.026521561,0.019579014,-0.109818248,0.136930573,0,0,0,-0.12550436,0.039896011,-0.248646378,-0.240973007,0.488119701,0,0,0,-0.102874123,-0.021084819,-0.284790722,-0.168293173,0.482401705,0,0,0,-0.095038736,0.014775004,-0.120843356,-0.175030288,0.175908183,0,0,0,-0.078673586,-0.07431004,-0.286316138,-0.097282077,0.412218285,0,0,0,-0.071052361,-0.089707638,-0.282571645,-0.075683077,0.382825429,0,0,0,-0.227080565,0.041763264,-0.05204549,-0.204018774,0.173511294,0,0,0,1.447004113,0.705453707,1.145300611,1.280535479,0.336777133,0,0,0,1.409452341,1.018793249,1.309763744,1.104188892,0,0,0,0,1.590373361,1.186450666,1.310760728,0.906286043,0,0,0,0,1.043987109,0.810321916,1.364200624,1.355438462,0,0,0,0,1.655711089,1.274392244,1.322997837,0.80356753,0,0,0,0,1.661705788,1.291691623,1.328122746,0.783613671,0,0,0,0,1.191991786,0.780353713,1.296951508,1.380096803,0,0,0,0,18.97494184,9.612470919,14.03857309,19.1416085,3.190268084,9.612633226,0.25,0.031090897,0.005181816,-2.082504129,15.17027025,2.528378375,1.631602565,18.97792445,9.613595017,14.04002714,19.14410151,3.190683585,9.613757107,0.249265579,0.031010498,0.005168416,-2.084057691,15.17027169,2.528378615,1.631602622,21.66926364,10.63513458,15.54687224,21.40326732,3.56721122,10.63518729,-0.398994478,0.06681145,0.011135242,-1.62352848,16.82269637,2.803782728,1.693637369,18.98105492,9.614774862,14.04155363,19.14671812,3.191119687,9.614936725,0.2484948,0.030926056,0.005154343,-2.085693722,15.17027527,2.528379212,1.631602763,24.59363684,11.75567129,17.7847783,23.87210733,3.978684555,11.75568805,-1.082294264,0.196044449,0.032674075,-0.977648319,40.65631292,6.776052153,2.223092474,19.28807678,9.730605481,14.19320854,19.40349957,3.233916594,9.730746783,0.173134186,0.022348738,0.00372479,-2.280591266,15.18177608,2.530296013,1.63205746,23.07462847,11.79286979,18.19392051,23.41536921,3.902561535,11.79288895,0.511111111,0.061610984,0.010268497,-1.672149065,13.6012337,2.266872284,1.566096301,0,11.99640057,15.99794223,-0.418122115,0.079759068,4.576436311,7.248504889,5,17,17,17,5,0,0,0,0,0,13.118484,3.492437682,2.826437953,2.333552793,2.122330902,1.383903955,0.796173372,0.083923071,0.083923071,1.859597445,1.467129201,1.249629723,0.828139422,0.453400458,0.261373013,0.083923071,0.083923071,3.48661293,2.834596194,2.405454588,1.994262158,1.361309191,0.898816284,0.270913902,0.270913902,1.816767718,1.388488147,1.134540686,0.817172294,0.374269051,0.109530932,0.270913902,0.270913902,3.628025356,3.070918029,2.704236987,2.437612989,1.846531778,1.444838608,0.943918427,0.943918427,1.624742836,1.084090887,0.76031856,0.332889788,0.178839102,0.485212565,0.943918427,0.943918427,3.498319732,2.861692106,2.457539916,1.996191567,1.383143854,0.979340462,0.399277246,0.399277246,1.790756071,1.339278972,1.058262671,0.806352811,0.304238589,0.00143553,0.399277246,0.399277246,3.677519901,3.16099278,2.838982085,2.524496137,1.999312327,1.659413822,1.207644823,1.207644823,1.575353806,0.994155134,0.631337262,0.228986621,0.328548025,0.695822757,1.207644823,1.207644823,4.18573331,3.317213367,2.836884539,2.621291805,1.72182287,1.140403981,0.576923077,0.576923077,1.733905735,1.171024239,0.890522574,0.434982824,0.035108095,0.295054328,0.576923077,0.576923077,0,0,0,0,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.666666667,0,0.333333333,0,0.482404532,0,0.149071198,0,1.333333333,0,0,0.780546929,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,4.601914134,2.323583031,1.984620357,0.964809064,0,0,0,0,0.766985689,0.464716606,0.33077006,0.241202266,0,0,0,0,8.965765927,17.6576839,16.70196078,16.96,10.27156647,139.5813569,0.498098107,0.980982439,0.92788671,0.942222222,0.570642582,7.754519827,1.0232,26.5188,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,24,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.602777778,0,8.62962963,0,0,0,0,0,0,0,0,0,0,0.602777778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.597222222,0,0,0,0,0,0,0,0,0,0,0,5.777777778,0,0,0,0,0,0.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.62962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.602777778,0,8.62962963,0,0,0,0,0,0,0,0,0,0,0.602777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.796296296,0,0,0,0,0,-0.148148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.62962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.602777778,0,8.62962963,0,0,0,0,0,0,0,0,0,0,0.602777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.990740741,0,0,0,0,0,0.407407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.62962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66666667,2.444444444,0.602777778,8.62962963,0.2625,-0.148148148,2.606185185,1.481481481,2.62962963,5.259259259,1.481481481,2.62962963,5.259259259,2.83333,0.47222,0,0.02778,0.47593,0.82778,0.42,0.47593,0.75238,0.05593,0,-0.05593,0.0754,0.57047,0.14382,0,0.64706,0.35294,0,2.75,0.45833,2.75,0.45833,0,0,-2.75,-0.45833,0,0,5.31424,0.88571,6.13075,0.81651,0.13608,2.35416,0.39236,2.64272,0.28856,0.04809,0.27128,0.04521,0.27128,0.04521,0,5.01,1,1,1,1,1,1,1,1.134969975,1.791667484,2.47385139,2.932999307,2.469674306,1.190810417,20.42945954,32.25001472,44.52932501,52.79398752,44.45413752,21.43458751,0.272179949,0.429664199,0.593260404,0.703369798,0.592258687,0.285571183,3.034955027,2.378257517,1.696073612,1.236925695,1.700250695,2.979114584,0.27767102,0.438332421,0.605229084,0.71755987,0.604207158,0.291332414,10.25843817,15.10631013,17.4761769,17.93891766,12.37901766,1.200128547,21.93297423,17.39589441,15.44477917,15.40718542,12.62723542,4.694068752,6,2.222222222,3,6,0,4,1.9,0.8718,1.144714243,0,4.242640687,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0.348,0.421,0.415,0.371,0.175,2.663,6,4,0,0,0,0,0,0,0,21,1.791759469,1.945910149,1.609437912,0,0,0,0,0,0,0,3.091042453,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,5,1,0,2,3,0.5,2,0.888888889,0,0,0,0,0,0,0,0,0.4,0.148148148,0,0,0,0,0,0,0,0,0.548148148,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,20.23,103.8266085,3.584962501,3.135494216,3.761200116,4.465908119,5.141663557,5.837730447,6.52649486,7.220373837,7.912423121,8.605753368,63.60704164,2.397895273,0,3.555348061,0,4.875197323,0,6.244166901,0,7.626082758,7.917536354,88.088815,4.893823056,10.52364588,1.75394098,2.325355914,2.325355914,0,29,4,1.039,22,1.216411765,2.108415495,2.875549929,3.428953667,3.964373426,0,0,0,0,0,77.15821427,90.15549607,80.75052707,24.99927615,4.028057121,0,0,0,0,0,263.9099389,323.4676505,341.6600004,235.6918809,123.2275704,0,0,0,0,0,9.180431628,15.53872812,21.40863758,24.97380732,26.63450014,0,0,0,0,0,1.941447524,2.526542293,2.851107038,2.390122064,1.762611585,0,0,0,0,0,178.6200885,333.4537471,469.3827702,595.3276113,733.0826257,0,0,0,0,0,3.221267974,4.960096799,7.685133878,7.282693057,3.964373426,0,0,0,0,0,0.425350094,0.571209656,0.671051467,0.573292057,0.405951839,0,0,0,0,0,320.5183725,183.6241032,12.80222611,129.2274667,-74.03406392,-17.35704752,191.2909058,257.6581671,30.15927363,0.712665565,0.408284162,0.028465469,0.287334435,-0.164613116,-0.038593014,144.1518044,82.58417639,5.757747925,58.11951544,-33.29651221,-7.806259904,0.366763978,0.685099365,7.716005479,22.28139309,396.1849078,53.56093134,0.880908445,0.119091555,346.0061755,18.60124124,7.020390718,470.5945044,21.69319028,7.778256915,570.1156806,23.87709531,8.291905209,1.194181627,1.095700112,250.5704079,160.5078655,115.0557738,1.561109838,2.177816894,1.395043988,3.447851884,3.220194404,5.261229667,0.633823617,3.782243497,4.176831693,3.03639366,14.29885704,5.641967912,2.737064544,3.553469708,7.101444214,1.876935621,0.006683872,3.96E-24,4.53E-67,9.99E-132,4.25E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337322539,4.303721492,0.224982716,5.42013816,0.817644706,0.030012255,0.265636546,0.359289243,0.013219411,4.71E-05,2.79E-26,3.19E-69,7.04E-134,2.99E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.969469194,4.067496272,0.654665624,6.279561793,1.210013541,0.210742252,0.761779891,1.266007022,0.137756455,4.91E-04,2.91E-25,3.32E-68,7.33E-133,3.12E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.793087398,4.303368682,3.02516714,14.12347701,5.335759106,2.444204221,3.329067694,6.638176759,1.672315847,0.00595521,3.53E-24,4.04E-67,8.90E-132,3.79E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.361918399,3.977737701,0.938717463,7.07908475,1.623671852,0.44505219,1.144570473,1.998541339,0.299225429,0.001065558,6.32E-25,7.22E-68,1.59E-132,6.77E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.748236975,4.257059448,3.974984217,17.58587024,7.704585709,3.983327755,4.607750451,9.462986014,2.737334206,0.0097478,5.78E-24,6.61E-67,1.46E-131,6.20E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.345034201,4.10594711,2.281932991,12.56848143,3.824005933,0.948482868,2.156807662,4.107498579,0.624719696,0.002224662,1.32E-24,1.51E-67,3.33E-132,1.41E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.292303611,1.508867312,0.535768471,0.528553296,0.347910629,0.482788553,0.458181746,0.423017869,4.336939395,5.495329523,11.68537526,0.314695887,1.363988167,1.73712354,1.194270798,0.141858207,0.565239437,0.388601581,0.411180371,0.286165491,0.030997595,3.073252545,2.49043826,5.857989262,0.430761528,0.728343456,1.939683887,1.258251103,0.31278428,0.552503273,0.358402654,0.35874999,0.337561482,0.14876295,3.51071927,3.440873183,7.714976703,0.36635889,0.845074422,2.24340539,1.545693074,0.516532928,0.521039816,0.358993358,0.466975142,0.491129708,0.394911413,4.305631392,5.424810298,11.52157963,0.320049762,1.353016263,2.082442405,1.268458185,0.390491565,0.556595598,0.339033743,0.400520897,0.327670769,0.229513654,3.741392154,3.949989528,8.722861682,0.343444011,0.957705321,2.32578991,1.553528075,0.559832931,0.52392675,0.349960635,0.496824213,0.485331352,0.460340342,4.439150916,5.784949878,12.2468779,0.310831077,1.442495908,2.253396568,1.545589816,0.517355991,0.522061591,0.358078596,0.470477584,0.489845229,0.395724107,4.316342374,5.448255151,11.56645883,0.32021028,1.35604692 +UMLYSI0302,L,methyl-4-pentenoate,COC(=O)CCC=C,unsaturated esters,C6H10O2,818-57-5,543664,PubChem,,33.3,0,1.0091,1.01828281,31.1366,18.83193,0,0,18,8,10,0,6,0,2,0,0,0,0,0,0,0,1387.681368,1274.619331,1417.114879,1227.205866,912.912428,655.756339,263.296825,63.583632,6.096384,3284.720409,3749.622277,4325.300143,4132.303086,3360.456852,2306.996926,1397.020356,666.9343151,186.5024666,139.131168,131.440036,217.71742,229.767168,212.93408,163.558684,114.2065,55.743552,40.310784,22.46593705,26.3090631,32.11199711,31.4432269,25.80297643,18.77805519,12.04982661,6.901560265,2.667677429,2980.845228,2498.432887,4501.844682,4897.961949,4497.296695,3724.883921,2589.527566,1320.365695,1109.505912,95.52777778,58.25,91.91666667,92.41666667,96.16666667,67.83333333,41,16,6,77.09340933,74.97760771,50.61124568,40.9068622,33.81157141,29.80710632,17.55312167,7.947954,1.016064,182.4844672,220.5660163,154.4750051,137.7434362,124.4613649,104.8634966,93.13469042,83.36678939,31.08374443,7.729509333,7.731766824,7.775622143,7.6589056,7.886447407,7.434485636,7.613766667,6.967944,6.718464,1.248107614,1.547591947,1.14685704,1.048107563,0.955665794,0.853547963,0.803321774,0.862695033,0.444612905,165.6025127,146.9666404,160.7801672,163.2653983,166.5665443,169.3129055,172.6351711,165.0457118,184.917652,5.307098765,3.426470588,3.282738095,3.080555556,3.561728395,3.083333333,2.733333333,2,1,0.285898756,-0.154762744,0.027524289,-0.007774058,-0.022749556,0.069226674,-0.068960312,-0.002507472,0.017053801,663.856216,-9.534489444,-15.35215922,-80.63072067,-318.4667027,111.4183994,-124.1713243,-65.85777778,170.6666667,866.1096724,-133.5335166,-99.09025244,-107.9358634,-237.2785331,82.76451696,6.616690098,-161.7809872,217.1831095,1.881856,-0.014157778,0.520144444,-0.384442667,-0.887005333,-0.024543556,-0.421969333,0.099003556,0.172042667,3.87734243,-0.994912954,-0.308718876,-0.603041417,-0.453160302,-0.081121447,0.545640592,-0.775945193,0.732588381,21.92945949,-6.116843013,-1.182390594,-3.670233953,-1.786904098,-1.264175751,3.685258986,-4.253703158,3.624261838,38.04475309,-1.830847051,5.90723594,-8.352366255,-19.24614198,9.721536351,-7.597479424,-1.340877915,3.716563786,0.015883264,-0.009103691,9.83E-04,-2.59E-04,-8.43E-04,0.003146667,-0.004597354,-3.13E-04,0.0028423,36.88090089,-0.56085232,-0.548291401,-2.687690689,-11.79506306,5.064472702,-8.278088289,-8.232222222,28.44444444,48.11720402,-7.854912743,-3.538937587,-3.597862112,-8.788093818,3.762023498,0.441112673,-20.22262341,36.19718492,0.104547556,-8.33E-04,0.018576587,-0.012814756,-0.032852049,-0.001115616,-0.028131289,0.012375444,0.028673778,0.215407913,-0.058524291,-0.011025674,-0.020101381,-0.016783715,-0.003687339,0.036376039,-0.096993149,0.122098064,1.218303305,-0.359814295,-0.042228236,-0.122341132,-0.066181633,-0.057462534,0.245683932,-0.531712895,0.60404364,2.113597394,-0.107696885,0.210972712,-0.278412209,-0.712820073,0.441888016,-0.506498628,-0.167609739,0.619427298,-0.573162461,0.061889691,-0.016314989,-0.053048048,0.198112111,-0.289446429,-0.019733597,0.17894937,-0.015207121,-0.01486654,-0.072874865,-0.319814939,0.137319658,-0.224454612,-0.223210985,0.771251346,-0.163245411,-0.07354828,-0.074772884,-0.182639328,0.078184582,0.009167463,-0.420278439,0.752271161,-0.007965853,0.177685525,-0.122573459,-0.314230679,-0.010670897,-0.269076486,0.118371438,0.274265406,-0.271690537,-0.051185093,-0.093317744,-0.077915963,-0.017117934,0.168870489,-0.450276631,0.566822555,-0.29534049,-0.034661513,-0.100419273,-0.054322789,-0.047166033,0.201660729,-0.43643721,0.495807273,-0.050954305,0.099816887,-0.131724334,-0.337254425,0.209069153,-0.239638178,-0.079300694,0.293067781,1.545873058,1.062651067,1.130601287,1.13784055,0.602296931,1.126388873,0.272478636,6.83E-10,0.947774903,0.987182378,1.024072726,1.33520775,0.773319795,1.180684088,0.968829029,0,1.359308315,1.058779175,1.026761586,1.055660064,0.808175626,0.807560462,1.380875219,0,0.720180503,0.857719757,1.094479067,1.636258271,0.835740161,1.387036344,0.066950527,0,1.589299252,1.067830525,1.053033471,0.949886849,0.855802069,0.599035345,1.378941662,0,1.626717752,1.062070414,1.06309397,0.94446468,0.870125883,0.565109238,1.324381646,0,0.635216809,0.622608955,1.186614205,1.931948782,0.631051725,1.333079138,0.390986898,0,32.3481379,16.42406895,26.37666899,32.7231379,4.090392237,16.42406924,0.5,0.124960006,0.015620001,-1.663809238,56.43939721,7.054924651,3.226533957,32.3579983,16.42826473,26.38202988,32.73189667,4.091487083,16.42826502,0.498531158,0.124717473,0.015589684,-1.665363453,56.68538363,7.085672954,3.230013115,41.26338797,20.23269951,31.54939557,40.66489625,5.083112032,20.23269951,-0.797988956,0.086664911,0.010833114,-1.956564953,33.47707699,4.184634624,2.808688749,32.36834755,16.43266858,26.38765736,32.74108975,4.092636219,16.43266886,0.4969896,0.12446293,0.015557866,-1.666997884,56.94818465,7.118523082,3.233713451,50.93032886,24.38287016,37.87917261,49.30688746,6.163360932,24.38287016,-2.164588529,0.274076295,0.034259537,-1.035479011,74.11364939,9.264206174,3.444479774,33.38360441,16.86493639,26.94381217,33.64330568,4.20541321,16.86493657,0.346268372,0.099562761,0.012445345,-1.845573659,108.083437,13.51042963,3.746322795,40.47289009,20.48105486,34.55452646,40.8802975,5.110037188,20.48105487,0.814814815,0.198143587,0.024767948,-1.295010661,32.20252985,4.025316231,2.777636013,0,11.79,15.99591768,-0.318976673,0.261521605,3.978619506,6.908591003,7,17,15,15,5,2,2,0,0,2,13.80607,3.548294344,3.208487509,2.695944117,2.324505895,1.531980305,1.087342094,0.917110931,0.083923071,1.808567584,1.480539116,1.326790919,0.852953142,0.415378434,0.345762701,0.083923071,0.083923071,3.490411044,3.115981626,2.680165525,2.254134592,1.55899422,1.042794226,0.634216574,0.270913902,1.782486701,1.492545577,1.251883084,0.831466414,0.445774659,0.188373653,0.270913902,0.270913902,3.638248898,3.322832247,2.938412963,2.549320802,1.972043637,1.542818785,1.255949794,0.943918427,1.603177577,1.227903717,0.940164779,0.473497571,0.036550173,0.369484043,0.943918427,0.943918427,3.492595289,3.092678646,2.700815964,2.249655576,1.596211305,1.132615684,0.465144215,0.399277246,1.775423137,1.496008273,1.205182847,0.819974903,0.396787118,0.079475132,0.399277246,0.399277246,3.666088236,3.349117524,3.026504293,2.614538292,2.116626964,1.753190191,1.209058028,1.207644823,1.565115821,1.199751628,0.84899912,0.407359431,0.167616094,0.575482639,1.207644823,1.207644823,4.428678688,3.517710366,3.088610104,2.717313487,1.88963677,1.607209595,1.236910741,0.514285714,1.734169675,1.218085384,1.064481955,0.555124918,0.008916157,0.048304596,0.514285714,0.514285714,0,0,2,1,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.49279928,0.348461713,0.288675135,0.100592232,0.065722928,0.041066607,6.405777394,3.808060412,2.655648531,1.747400241,0.756710003,0.49279928,0.144337567,0,0.800722174,0.54400863,0.379378362,0.291233373,0.189177501,0.164266427,0.144337567,0,5.015167194,2.486546552,1.403482882,0.780256758,0.321975275,0.142258898,0.041666667,0,0.626895899,0.355220936,0.200497555,0.130042793,0.080493819,0.047419633,0.041666667,0,10.13873723,18.10050983,17.3254902,17.6,10.9532515,138.193012,0.563263179,1.00558388,0.962527233,0.977777778,0.608513972,7.677389554,1.05179,31.177,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,63,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,2,2,0,2,0,0,0,0,0,0,0,0,1,1,2,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66625,4.974528534,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.450106293,0.422777778,0,0,1.014583333,1.014583333,0,0.87288407,0,0,0,0,0,0,0,0,1.380378874,3.459158163,1.145509259,0,1.691388889,0,0,0,0,-0.176018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.30069444,4.365555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.365555556,-0.176018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.450106293,0.422777778,0,0,0.458680556,0.458680556,0,0.422777778,0,0,0,0,0,0,0,0,1.380378874,3.459158163,0.444444444,0,1.691388889,0,0,0,0,-0.176018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.30069444,4.365555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.30069444,3.459158163,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.450106293,0.422777778,0,0,0.555902778,0.555902778,0,0.450106293,0,0,0,0,0,0,0,0,1.380378874,3.459158163,0.701064815,0,1.691388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.30069444,4.365555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.16666667,2.770833333,0.609305556,10.30069444,0.365833333,-0.176018519,2.746878932,1.842685185,3.300694444,9.250816327,1.842685185,3.300694444,9.250816327,3.66666,0.45833,0,0.04167,0.56296,0.89167,0.42308,0.53667,0.89167,0.13989,0.0263,-0.11359,0,0.51402,0.20027,0,0.36364,0.13636,0,6.75,0.84375,4.25,0.53125,2.5,0.3125,-1.75,-0.21875,0,0,4.4435,0.55544,8.4771,4.0336,0.5042,2.11805,0.26476,3.80805,1.69001,0.21125,0.10595,0.01324,0.10595,0.01324,0,7.02,2,2,2,2,0,0,0.5,1.351644115,2.702904337,3.350209029,3.572431251,3.572431251,3.340768751,24.32959407,48.65227807,60.30376252,64.30376252,64.30376252,60.13383752,0.324141109,0.648190156,0.803421891,0.85671355,0.85671355,0.801157994,2.818280886,1.467020664,0.819715972,0.59749375,0.59749375,0.82915625,0.318189072,0.636287773,0.788669067,0.840982159,0.840982159,0.786446742,12.44827692,23.72544357,25.59916621,25.82312733,25.82312733,23.04317733,29.36606616,18.49476647,16.20384376,15.68387709,15.68387709,14.29390209,8,5.142857143,5,8,3,5,1.9,0.9854,0.166666667,2.249576847,0.707106781,0,2.381101578,1.650963624,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.447,0.442,0.598,0.207,3.251,7,6,4,3,1,0,0,0,0,36,2.302585093,2.397895273,2.302585093,1.945910149,2.079441542,1.098612289,0,0,0,0,3.951243719,1.416666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,5,0.714285714,0,3,6,1,1.5,0.666666667,0.25,0.16,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.041666667,0.04,0.018518519,0,0,0,0,0,0.409708995,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,26.3,124.6399025,4,3.36729583,4.007333185,4.691347882,5.361292166,6.052089169,6.72982407,7.422373701,8.102586425,8.795582217,69.52972465,2.708050201,0,3.761200116,0,4.990432587,0,6.289715571,0,7.623153068,7.934871566,114.0680796,6.337115531,14.66013744,1.832517181,5.1060516,5.1060516,0,76,6,1.266,28,1.229882353,2.130640443,2.914983779,3.677122854,4.877322531,5.871950351,7.208026909,8.052846624,0,0,102.3078116,117.8253296,130.6958995,147.6706206,166.1191905,117.7240614,59.95038191,8.182207553,0,0,291.3184848,350.646062,428.6017704,511.9824621,555.5938644,594.1200628,620.9827519,250.3126264,0,0,9.577026488,16.6620653,22.36789421,28.92179875,36.54203024,45.02486478,50.32090909,54.10276014,0,0,2.000062488,2.559460707,3.205279254,3.849289594,4.392330007,5.004120779,6.378840575,3.58039953,0,0,179.2892175,339.3581498,472.9596149,601.0072943,818.282628,1004.939787,1182.024627,1489.11349,0,0,4.328740196,7.291442048,9.053167985,13.05147152,16.01902613,16.69913145,14.77319014,8.052846624,0,0,0.462189706,0.614724571,0.772561014,0.956456952,1.08640529,1.220427417,1.391009692,0.824611494,0,0,395.20532,317.9531677,25.5993748,131.1214871,-105.490716,-31.75006976,264.0838329,423.4438836,57.34944456,0.75087439,0.604098373,0.048637794,0.24912561,-0.200428165,-0.06032387,208.0071542,167.3472755,13.4736372,69.01275362,-55.52259171,-16.71091284,0.325025066,0.396435967,10.21137843,20.60433441,398.8219149,127.5048922,0.757745776,0.242254224,606.6345534,24.62995236,8.465300539,704.1418511,26.53567129,8.896517811,978.5683616,31.28207732,9.92804469,2.334423121,2.284685253,670.8668942,618.5509056,62.34530332,1.084578307,10.76050414,9.921371341,4.036519844,4.57798827,8.697292795,0.899806702,3.047218268,3.465242996,4.817055296,9.709609491,5.281020795,1.882704816,4.153499826,5.62583828,1.414619603,0.729640304,3.047331616,0.827577126,2.225695062,0.025077474,3.292329881,0.040790902,2.10E-04,2.08E-28,3.97E-74,1.47E-141,1.04E-230,0,0,0,0,0,0,0,0,0,0.272250142,3.61630899,0.437416802,5.309251464,0.249297733,1.094377137,0.372621273,0.203920384,0.568589351,0.029584791,2.391097467,0.065404423,0.208871203,0.002109703,0.058442907,2.87E-04,1.48E-06,1.46E-30,2.80E-76,1.03E-143,7.34E-233,0,0,0,0,0,0,0,0,0,0.831413164,3.335219634,0.982067488,4.571645885,0.81546106,1.102227412,1.029976876,0.739014485,0.705252818,0.115014199,1.975842013,0.210592485,0.472443781,0.006797915,0.332214679,0.002993832,1.54E-05,1.53E-29,2.92E-75,1.08E-142,7.65E-232,0,0,0,0,0,0,0,0,0,2.881441232,3.615818444,5.314473995,10.25524944,4.872949618,1.921359151,4.214242696,5.102144169,1.462040614,0.666699416,3.317519766,0.784691879,2.113093165,0.023671403,2.957681642,0.036343963,1.87E-04,1.85E-28,3.54E-74,1.31E-141,9.29E-231,0,0,0,0,0,0,0,0,0,1.21776275,3.228408955,1.23731348,4.487394067,1.330430844,1.160135151,1.430869698,1.276599771,0.782809734,0.190734426,1.879779897,0.31145516,0.681314046,0.010016225,0.634860832,0.006502993,3.34E-05,3.31E-29,6.34E-75,2.34E-142,1.66E-231,0,0,0,0,0,0,0,0,0,3.679977968,3.560669262,6.627793939,12.38774444,7.198887681,2.141092536,5.291871295,7.81963206,1.689580314,0.986356783,3.480759785,1.020033506,2.952614466,0.03028352,4.686562471,0.059489684,3.06E-04,3.03E-28,5.80E-74,2.14E-141,1.52E-230,0,0,0,0,0,0,0,0,0,1.688922776,2.945534147,3.619940864,10.69388961,2.047174574,1.282455872,3.016079502,1.763726743,1.499510521,0.236498694,4.355185738,0.435925086,1.364340901,0.013424245,0.997378965,0.010788792,5.55E-05,5.50E-29,1.05E-74,3.88E-142,2.76E-231,0,0,0,0,0,0,0,0,0,7.166925126,0.76780003,0.276429008,0.872827983,0.093506956,0.534447121,0.511007753,0.333321856,8.211154164,7.696153535,17.42843166,0.809241974,1.378776729,5.450738756,0.507106877,0.043940355,0.908186124,0.084492662,0.309388564,0.224962595,0.008422164,6.001785988,3.025896965,9.149138802,0.862279186,0.542773323,6.256888201,0.527962721,0.132954654,0.904461412,0.076319393,0.40740915,0.242342731,0.077108748,6.917805576,4.205481228,11.5624897,0.856692118,0.726860629,6.994480852,0.773924675,0.259477543,0.871273384,0.096404577,0.509078505,0.519974577,0.293694703,8.02788307,7.428928101,16.86141535,0.806910077,1.322747786,6.650659994,0.562945536,0.181379258,0.899347353,0.076125314,0.460230543,0.274791606,0.143506576,7.394984788,5.052357776,13.12641914,0.849021029,0.878528725,7.252373846,0.806869062,0.293185679,0.868295223,0.096602929,0.547268369,0.564361341,0.374957516,8.352428586,8.214570682,18.28263862,0.802442835,1.486587226,7.063167908,0.776072117,0.262300045,0.871830275,0.095793159,0.519209136,0.524122904,0.300118861,8.10154007,7.537760682,17.07710571,0.807745413,1.343450901 +UMLYSI0303,L,3-methoxy-3-methyl-1-butanol,CC(C)(CCO)OC,other multi-oxygen compounds,C6H14O2,56539-66-3,62118,PubChem,,33.2,0,-0.1944,0.03779136,31.2722,21.499102,0,0,22,8,14,0,6,0,2,0,0,0,0,0,0,0,1391.745624,1327.067587,1739.180369,1539.370823,1179.18202,426.380853,72.680832,3.048192,0,3409.055386,4175.845757,5572.067872,6253.887846,5336.945324,2798.996031,733.7824414,93.25123329,0,166.005024,162.2641,291.626276,349.380716,413.720704,368.020188,116.152704,20.155392,0,24.24438867,30.18446402,41.34251791,49.13651211,48.58565746,28.88359065,8.053203126,1.333838715,0,3720.515836,3142.984807,6197.95377,7270.703166,9529.838185,9178.526572,2927.687202,554.7529561,0,80.3125,59.5,93.625,112.5,128.75,100,32,3,0,63.26116473,63.19369462,45.76790445,34.20824051,20.68740386,8.360408882,4.542552,1.016064,0,154.957063,198.8497979,146.633365,138.9752855,93.63061973,54.88227511,45.86140259,31.08374443,0,7.545682909,7.726861905,7.674375684,7.764015911,7.258257965,7.216082118,7.259544,6.718464,0,1.102017667,1.437355429,1.087960998,1.091922491,0.852379956,0.566344915,0.503325195,0.444612905,0,169.1143562,149.6659432,163.1040466,161.5711815,167.1901436,179.9711093,182.9804501,184.917652,0,3.650568182,2.833333333,2.463815789,2.5,2.25877193,1.960784314,2,1,0,0.374255212,-0.139164208,-0.026126743,-0.119192663,0.175599658,-0.106818548,-0.004580678,0.033155575,0,756.9471251,-35.00554913,103.5932758,-625.3468685,-167.8671376,228.6265019,60.40224793,57.12396694,0,984.5731867,-131.9222333,195.7874895,-560.6317009,-669.4011021,422.2481154,178.939318,72.69352012,0,1.975697455,-0.112005388,-0.398113421,-1.181603339,1.007198413,-0.20528519,-0.155624331,0.057584529,0,4.276936093,-0.889011361,0.588844751,-1.233927588,-3.454973579,1.700408154,0.904986374,0.245205202,0,23.90632958,-5.411859017,2.485240261,-4.962809278,-19.0789487,8.781780599,5.020351972,1.213079375,0,28.53693182,-4.600594008,-1.802427686,-14.01020145,13.22249483,-3.952091942,-3.981404959,0.855759298,0,0.017011601,-0.006626867,-6.88E-04,-0.002648726,0.003080696,-0.002094481,-2.86E-04,0.011051858,0,34.4066875,-1.666930911,2.726138838,-13.89659708,-2.945037501,4.482872587,3.775140496,19.04132231,0,44.75332667,-6.282011109,5.152302355,-12.45848224,-11.74387898,8.279374811,11.18370737,24.23117337,0,0.08980443,-0.00533359,-0.010476669,-0.026257852,0.017670148,-0.0040252,-0.009726521,0.019194843,0,0.194406186,-0.042333874,0.015495915,-0.027420613,-0.060613572,0.033341336,0.056561648,0.081735067,0,1.086651345,-0.257707572,0.06540106,-0.110284651,-0.334718398,0.172191776,0.313771998,0.404359792,0,1.297133264,-0.219075905,-0.047432308,-0.31133781,0.231973594,-0.077491999,-0.24883781,0.285253099,0,-0.389549885,-0.040416295,-0.155701154,0.181093822,-0.123120768,-0.016829243,0.649665991,0,-0.048447875,0.079232819,-0.403892327,-0.085594915,0.130290735,0.109721126,0.553419224,0,-0.140369702,0.11512669,-0.278381143,-0.262413542,0.18500021,0.249896672,0.541438485,0,-0.059391167,-0.116660938,-0.292389274,0.196762539,-0.04482184,-0.108307805,0.213740492,0,-0.217759914,0.079708958,-0.141048048,-0.311788286,0.171503474,0.290945723,0.420434499,0,-0.237157552,0.060185873,-0.101490373,-0.308027409,0.158460924,0.288751309,0.372115485,0,-0.168892365,-0.036567027,-0.24001991,0.178835591,-0.05974097,-0.191836735,0.219910403,0,1.31303085,1.140339202,1.39451518,0.40046463,0.960571299,1.465578872,0.691799082,0,1.219570409,1.007920416,1.523573132,0.942074316,0.662698298,0.689462841,0,0,1.581116417,0.977119028,1.387850488,1.22349345,0.45888202,0.316915657,0,0,0.989408573,1.293034808,1.588364652,0.425974128,0.925923026,1.13175552,0,0,1.795919825,1.045881962,1.300128079,1.28020217,0.381557666,0.162840058,0,0,1.835229542,1.078475818,1.282445934,1.26518581,0.377466431,0.150103273,0,0,1.116973619,0.971905373,1.13960511,0.460333761,1.276982988,1.747735192,0,0,31.00908221,15.7545411,23.05410272,31.38408221,3.923010276,15.75454158,0.5,0.155170227,0.019396278,-1.490586022,27.27976109,3.409970136,2.64491606,31.02033919,15.75943517,23.06066513,31.39423756,3.924279695,15.75943564,0.498531158,0.155072589,0.019384074,-1.491089562,27.28600247,3.410750309,2.645099073,41.20756464,20.20478784,29.32550689,40.60907293,5.076134116,20.20478785,-0.797988956,0.036291872,0.004536484,-2.652929171,40.83030179,5.103787724,2.967539597,31.03215439,15.764572,23.06755382,31.40489659,3.925612074,15.76457246,0.4969896,0.154970016,0.019371252,-1.491618903,27.29256441,3.411570552,2.645291439,52.25747188,25.04644167,36.73304714,50.63403048,6.32925381,25.04644167,-2.164588529,0.111194883,0.01389936,-1.757176731,470.943132,58.8678915,4.923789878,32.19178991,16.26902914,23.74799592,32.45149119,4.056436399,16.26902941,0.346268372,0.144432059,0.018054007,-1.54795685,27.9946954,3.499336925,2.665612034,34.57686827,17.78013864,27.22671241,35.30521776,4.41315222,17.78013871,1.020238095,0.1871131,0.023389137,-1.340833627,23.84533828,2.980667285,2.537270991,0,11.99635523,15.99825889,-0.405336224,0.066054446,4.090402434,8.230128359,7,21,21,21,7,0,0,0,0,0,17.220898,3.558762384,2.987239794,2.6928589,2.333552793,2.039070982,1.396580954,1.173880485,0.121697442,1.849265631,1.448958738,1.377532333,1.249629723,0.821169368,0.38949157,0.083923071,0.083923071,3.519512462,2.904414083,2.676713564,2.405454588,1.956858444,1.248212413,1.110082272,0.270913902,1.830756624,1.42304872,1.305917611,1.134540686,0.767205908,0.332164256,0.027467599,0.270913902,3.6700816,3.170296629,2.962454834,2.704236987,2.363259079,1.788734362,1.626964243,0.943918427,1.637177642,1.108389609,0.956982952,0.76031856,0.30358531,0.286099199,0.519163264,0.943918427,3.520417413,2.905033148,2.697947987,2.457539916,1.968887222,1.237427872,1.117714027,0.399277246,1.819562277,1.409967036,1.257732484,1.058262671,0.731912943,0.271036913,3.51E-04,0.399277246,3.70554848,3.225285504,3.057844795,2.838982085,2.465416766,1.934009149,1.71181435,1.207644823,1.598623344,1.042807254,0.860204697,0.631337262,0.190431859,0.438848791,0.610295579,1.207644823,4.213901949,3.647405986,3.041453134,2.634654398,2.59818824,1.877013094,1.622540927,0.585365854,1.733958731,1.176544546,1.011639111,0.878556837,0.442638427,0.290009714,0.391340942,0.585365854,0,0,0,0,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,1.207106781,0.25,0,0,0.84635267,0.144337567,0,0,1.457106781,1.383883476,0.530330086,0.946923425,0.653614277,0.136930639,6.621320344,3.621320344,3.267766953,1.883883476,0.853553391,0.176776695,0,0,0.827665043,0.517331478,0.363085217,0.269126211,0.213388348,0.176776695,0,0,5.769675448,2.782153592,2.437423582,1.266451329,0.371312417,0.045643546,0,0,0.721209431,0.397450513,0.270824842,0.180921618,0.092828104,0.045643546,0,0,11.22239284,21.87618354,20.77647059,21.12,12.55036048,170.7641329,0.510108765,0.994371979,0.944385027,0.96,0.570470931,7.762006042,0.7938,32.7908,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,52,1,0,2,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.668611111,0,13.47104167,0,0,0,3.355127701,0,0,0,0,0,0,0.668611111,0,0,0,0,0,0,0,0,0,0,0,0,0,1.636944444,0,0,0,0,0,0,0,0,0,0,0,5.54375,0,0.893194444,0,0,0,0,0,0,0,0,0,-0.157986111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.452986111,0,5.018055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.668611111,0,5.018055556,0,0,0,3.355127701,0,0,0,0,0,0,0.668611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0.351111111,0,0,0,0,0,0,0,0,0,0,0,1.648472222,0,0.195277778,0,0,0,0,0,0,0,0,0,-0.157986111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.452986111,0,5.018055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.668611111,0,8.452986111,0,0,0,3.355127701,0,0,0,0,0,0,0.668611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0,0,0,0,0,0,0,0,0,0,0,1.947638889,0,0.697916667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.452986111,0,5.018055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.75,2.46875,0.668611111,8.452986111,0.104166667,-0.157986111,2.786713125,1.407986111,2.452986111,7.942083333,1.407986111,2.452986111,7.942083333,3.66666,0.45833,0,0.04167,0.51515,0.89167,0.42308,0.51515,0.82593,0.09207,0,-0.09207,0.06574,0.51402,0.20027,0,0.5,0,0.13636,4.25,0.53125,4.25,0.53125,0,0,-4.25,-0.53125,0,0,7.18692,0.89836,9.32652,2.1396,0.26745,2.7521,0.34401,3.62132,0.86922,0.10865,0.29268,0.03658,0.29268,0.03658,0,7.02,2,2,2,2,1,1,1,1.240670532,2.181899058,3.265583323,3.265583323,3.265583323,2.860180448,27.2947517,48.00177927,71.8428331,71.8428331,71.8428331,62.92396987,0.278212705,0.489277389,0.732286893,0.732286893,0.732286893,0.641377802,3.218761087,2.277532561,1.193848296,1.193848296,1.193848296,1.59925117,0.282463768,0.496753501,0.743476167,0.743476167,0.743476167,0.651177994,11.58313238,20.64427104,21.73643517,21.73643517,21.73643517,16.87160067,29.24518972,17.91512211,17.58589175,17.58589175,17.58589175,15.1534745,8,3.111111111,3.673469388,8,0,4,1.9,1.0714,1.144714243,2.182247272,0,2.381101578,1,0,1.414213562,0,0,0,0,0.25,0,0,0,0,0,0,0,0.348,0.647,0.648,0.555,0.198,3.566,9,7,4,1,0,0,0,0,0,36,2.079441542,2.302585093,2.079441542,1.609437912,0.693147181,0,0,0,0,0,3.610917913,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,3,5,0.666666667,3,1.111111111,0.375,0.08,0,0,0,0,0,0,0.428571429,0.12345679,0.053571429,0.02,0,0,0,0,0,0,0.625599647,17.44264589,25.36163497,34.88529179,4.360661473,17.44264597,0.116490414,0.014561302,-1.719957033,30.16224815,3.770281019,2.725272865,29.46,129.9128199,4,3.496507561,4.17438727,4.990432587,5.693732139,6.517671273,7.22620901,8.0522965,8.762019954,9.588708312,73.50196461,2.708050201,0,3.931825633,0,5.361292166,0,6.86171134,0,8.385944905,8.634620608,118.0993797,5.368153622,14.4310606,1.803882575,5.032012082,5.032012082,0,67,7,0.546,32,1.224238095,2.103452976,2.897142925,3.408733314,3.839339645,5.281724051,6.229748938,0,0,0,89.40323074,108.2267939,106.7951139,84.66527117,42.74249107,27.25750539,6.329823625,0,0,0,266.2250568,334.6361901,414.5202203,335.6382139,237.9220594,254.7581705,193.6439238,0,0,0,9.526009392,16.25972619,22.54139495,25.04052898,28.13675618,38.88419524,41.85434397,0,0,0,1.868517472,2.42806661,3.214910794,2.94634944,2.312283584,2.697790035,2.769826772,0,0,0,181.3031899,339.1203234,466.3804368,569.8481115,685.2598744,965.4544505,1151.990546,0,0,0,3.563196429,5.420846892,7.359279233,8.48884975,8.482892581,11.55571065,6.229748938,0,0,0,0.433862457,0.586347092,0.769130193,0.704064921,0.591623612,0.711865894,0.637926291,0,0,0,259.8494405,219.9831598,12.8606758,90.3577025,-76.49496134,-26.4761329,169.491738,296.4781211,39.33680869,0.741987837,0.62815155,0.036723054,0.258012163,-0.218427759,-0.07560135,91.00113017,77.03967389,4.503900528,31.64391284,-26.78908186,-9.27213086,0.247732905,0.467294284,4.334964184,23.55517889,267.3211296,82.88601343,0.763322893,0.236677107,541.3659733,23.26727258,8.150113405,685.3283744,26.17877718,8.816568194,955.5598042,30.91213037,9.84961581,1.882734632,1.736399494,469.824137,464.9822032,119.2640743,1.010413159,3.939360111,3.898761684,3.971698807,3.730373775,6.54147074,0.753569785,4.340044796,4.942436844,7.584147302,14.42150241,8.548566365,10.99921887,9.625209904,5.704741869,3.029095565,2.595900876,0.98115009,2.286111527,1.48E-09,2.51E-40,8.19E-93,5.16E-167,6.27E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384135176,5.323363323,0.59081586,5.787874354,1.824336435,0.76654132,0.46388008,0.317614056,0.172295315,0.094620774,0.624115621,0.19249042,1.65E-10,2.80E-41,9.15E-94,5.77E-168,7.01E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,1.120585406,4.614669691,1.336302451,6.460827404,2.852790989,1.737820521,1.350061046,0.932705355,0.502766402,0.386647318,0.379179299,0.370295111,2.86E-10,4.85E-41,1.59E-93,9.99E-168,1.21E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,4.319606396,5.322075758,8.303185361,14.45603121,8.332835718,10.26516999,9.300398586,5.576932252,3.007004926,2.365470091,1.099304013,2.651632763,1.86E-09,3.15E-40,1.03E-92,6.48E-167,7.88E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,1.58463578,4.345371398,1.698531992,7.149385851,3.580426028,2.668672217,2.10983438,1.408706279,0.743448388,0.652001009,0.312162619,0.41889447,2.84E-10,4.81E-41,1.57E-93,9.90E-168,1.20E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,5.421862825,5.183002783,10.69405573,17.7542471,10.74346011,15.27839322,13.49824785,7.837866963,4.170844868,3.53689271,1.309917228,3.337619921,2.16E-09,3.66E-40,1.20E-92,7.54E-167,9.16E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,3.762208288,5.637836345,7.617740816,12.39762336,5.632917227,6.197688933,5.378570832,3.462304367,2.57838398,1.059654702,2.17913274,3.668463111,3.04E-09,5.15E-40,1.68E-92,1.06E-166,1.29E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,3.506126453,1.054117211,0.915533437,0.640297512,0.1925055,0.47902619,0.44007616,0.52487465,5.475777101,7.870923795,16.73039185,0.460446268,1.443977,3.502139199,0.567428739,0.484513207,0.769011155,0.124597854,0.476795914,0.188851044,0.093031053,4.554081145,3.95897384,9.47588662,0.653516732,0.75867801,3.201777145,0.760082457,0.685128514,0.689000502,0.163564536,0.39861122,0.228859839,0.283525784,4.646988116,5.14799762,11.46232452,0.533500753,0.910996843,3.592567537,1.008595541,0.903029488,0.652696557,0.183241325,0.502718336,0.402937306,0.508301043,5.504192566,7.778433539,16.55470614,0.479044835,1.413956685,3.14247919,0.885237463,0.751402352,0.657543616,0.185230262,0.384205828,0.310351473,0.346418165,4.779119005,5.808276072,12.67767643,0.486315423,1.040975465,3.575731059,1.080574857,0.943254868,0.638573488,0.192974931,0.498380986,0.462449862,0.558543115,5.599560784,8.255928299,17.50007976,0.457860231,1.519373963,3.60841019,1.022805802,0.89944406,0.652437531,0.184933768,0.507413161,0.414334778,0.506820851,5.530660052,7.856222591,16.70646342,0.478656297,1.42856879 +UMLYSI0304,L,2-methyl-2-butanol,CCC(C)(C)O,saturated alcohols,C5H12O,75-85-4,6405,PubChem,,32.9,0,-0.1029,0.01058841,25.1429,17.603516,0,0,18,6,12,0,5,0,1,0,0,0,0,0,0,0,989.481374,918.525433,1333.208323,882.160487,235.238976,21.337344,0,0,0,2706.980219,3340.91352,4519.406187,4516.580377,2639.045493,652.758633,0,0,0,131.675864,127.961068,227.095204,297.782948,315.778176,141.087744,0,0,0,19.92305886,25.2786954,35.20936939,38.36093614,28.97415423,9.336871002,0,0,0,3038.434891,2530.053054,4960.099598,6366.608216,7908.757859,3883.270693,0,0,0,63.8125,44.375,75.25,112.25,73,21,0,0,0,54.97118744,54.03090782,43.0067201,22.61949967,5.2275328,1.016064,0,0,0,150.3877899,196.5243247,145.7872963,115.8097533,58.6454554,31.08374443,0,0,0,7.315325778,7.527121647,7.325651742,7.635460205,7.0172928,6.718464,0,0,0,1.106836603,1.486982082,1.135786109,0.983613747,0.643870094,0.444612905,0,0,0,168.8019384,148.8266503,160.0032128,163.2463645,175.7501746,184.917652,0,0,0,3.545138889,2.610294118,2.427419355,2.878205128,1.622222222,1,0,0,0,0.214443785,-0.121098139,0.064776939,-0.081209059,0.004974954,0.025333412,0,0,0,557.7912351,-66.11605249,203.2716955,-683.1500787,-50.54822122,317.6470394,0,0,0,815.6252945,-79.2452518,107.4454066,-838.6188314,-56.42950901,459.0355383,0,0,0,1.059967111,-0.095141383,0.190519753,-0.781014074,-0.061880889,0.217533037,0,0,0,3.576219349,-0.265723223,-0.322038229,-2.757332676,-0.162895723,1.719880176,0,0,0,19.7674611,-1.32649563,-3.099847297,-13.53445875,-0.751663446,8.828734571,0,0,0,24.05902778,-5.760609568,7.735146605,-15.98900463,-2.977430556,4.962384259,0,0,0,0.011913544,-0.00712342,0.002089579,-0.002082284,1.11E-04,0.001206353,0,0,0,30.98840195,-3.889179558,6.557151469,-17.51666869,-1.123293805,15.12604949,0,0,0,45.31251636,-4.6614854,3.465980858,-21.50304696,-1.253989089,21.85883516,0,0,0,0.058887062,-0.005596552,0.006145798,-0.020026002,-0.001375131,0.010358716,0,0,0,0.198678853,-0.015630778,-0.01038833,-0.070700838,-0.003619905,0.081899056,0,0,0,1.098192283,-0.078029155,-0.099995074,-0.347037404,-0.016703632,0.420415932,0,0,0,1.336612654,-0.338859386,0.249520858,-0.409974478,-0.066165123,0.236304012,0,0,0,-0.597926209,0.175395227,-0.174782888,0.009279736,0.101258954,0,0,0,-0.12550436,0.211600181,-0.565265312,-0.036248846,0.488119701,0,0,0,-0.102874123,0.076490584,-0.47454983,-0.027674232,0.482401705,0,0,0,-0.095038736,0.104365854,-0.340074735,-0.023352003,0.175908183,0,0,0,-0.078673586,-0.052287044,-0.355854873,-0.01821988,0.412218285,0,0,0,-0.071052361,-0.091054249,-0.31600787,-0.015210116,0.382825429,0,0,0,-0.253521007,0.186681502,-0.306726467,-0.049502093,0.176793188,0,0,0,1.495081052,0.578277298,1.764567201,0.814626777,0.199080957,0,0,0,1.409452341,0.856628199,1.749398848,0.76127291,0,0,0,0,1.590373361,1.094296118,1.511065099,0.735754096,0,0,0,0,1.043987109,0.725708335,2.13205038,0.657895465,0,0,0,0,1.655711089,1.253592748,1.404208514,0.693942316,0,0,0,0,1.661705788,1.292963423,1.387400702,0.679122402,0,0,0,0,1.21575985,0.6453382,2.082984558,0.690893347,0,0,0,0,18.33988636,9.294943181,13.38732163,18.50655303,3.084425505,9.295163209,0.25,0.131623654,0.021937276,-1.216685119,17.24573085,2.874288475,1.708538776,18.34278932,9.296027449,13.38851553,18.50896637,3.084827729,9.296247189,0.249265579,0.131564806,0.021927468,-1.216953437,17.24651777,2.874419628,1.708566153,20.97911032,10.29005792,14.59857126,20.713114,3.452185666,10.29013117,-0.398994478,0.044106804,0.007351134,-1.872684731,21.08755794,3.51459299,1.829209917,18.34583624,9.297165519,13.38976883,18.51149944,3.085249906,9.297384957,0.2484948,0.131502995,0.021917166,-1.217235391,17.24734618,2.874557696,1.708594972,23.86691145,11.39230859,16.69269156,23.14538194,3.857563656,11.3923324,-1.082294264,0.152061735,0.025343623,-1.130081213,60.79503939,10.13250656,2.464504918,18.64494363,9.409038908,13.51378974,18.76036642,3.126727737,9.409231005,0.173134186,0.125198336,0.020866389,-1.246713666,17.34230021,2.890383368,1.71188917,22.23006374,11.3733652,17.11414003,22.57450818,3.76241803,11.3733936,0.516666667,0.162479887,0.027079981,-1.090320634,15.19297969,2.532163282,1.632500075,0,11.99640057,15.99794223,-0.415305911,0.085092544,4.891451886,7.488420618,5,17,17,17,5,0,0,0,0,0,13.118484,3.511481793,2.779107874,2.333552793,2.049845808,1.656242546,0.404118374,0.083923071,0.083923071,1.853774299,1.475429069,1.249629723,0.845831022,0.558040749,0.083923071,0.083923071,0.083923071,3.494288648,2.818049198,2.405454588,1.904991636,1.620405176,0.508287607,0.270913902,0.270913902,1.817131132,1.385213837,1.134540686,0.757474412,0.587748173,0.270913902,0.270913902,0.270913902,3.637229896,3.048295999,2.704236987,2.356016197,2.107500946,0.961666516,0.943918427,0.943918427,1.624767597,1.082231754,0.76031856,0.291087158,0.006286556,0.943918427,0.943918427,0.943918427,3.502138779,2.853206081,2.457539916,1.93352528,1.599309644,0.589682269,0.399277246,0.399277246,1.795119043,1.326783819,1.058262671,0.734938654,0.543672034,0.399277246,0.399277246,0.399277246,3.682112325,3.14918233,2.838982085,2.44626244,2.243431704,1.207644823,1.207644823,1.207644823,1.579026643,0.985329368,0.631337262,0.158754203,0.100005627,1.142081152,1.207644823,1.207644823,4.177150499,3.204930372,2.899344835,2.612600818,1.935585859,0.61838942,0.571428571,0.571428571,1.721936652,1.191575035,0.898315104,0.50445335,0.153992625,0.571428571,0.571428571,0.571428571,0,0,0,0,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,0.893387954,0.158113883,0,0,1.060660172,0.353553391,0,0.669781157,0.158113883,0,5.207106781,2.560660172,2.914213562,1.060660172,0,0,0,0,0.86785113,0.512132034,0.416316223,0.353553391,0,0,0,0,4.654320377,2.28426697,2.16598765,0.865220664,0,0,0,0,0.775720063,0.456853394,0.309426807,0.288406888,0,0,0,0,8.965765927,17.6576839,16.70196078,16.96,10.27156647,139.5813569,0.498098107,0.980982439,0.92788671,0.942222222,0.570642582,7.754519827,1.1673,26.5888,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,24,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.554166667,0,8.826388889,0,0,0,0,0,0,0,0,0,0,0.554166667,0,0,0,0,0,0,0,0,0,0,0,0,0,1.195833333,0,0,0,0,0,0,0,0,0,0,0,5.555555556,0,0.826388889,0,0,0,0,0,0,0,0,0,-0.458333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.826388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.554166667,0,8.826388889,0,0,0,0,0,0,0,0,0,0,0.554166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.798611111,0,0.826388889,0,0,0,0,0,0,0,0,0,-0.458333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.826388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.554166667,0,8.826388889,0,0,0,0,0,0,0,0,0,0,0.554166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,1.958333333,0,0.826388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.826388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.75,2.458333333,0.554166667,8.826388889,0.25,-0.458333333,2.686027778,1.708333333,2.826388889,5.652777778,1.708333333,2.826388889,5.652777778,2.83333,0.47222,0,0.02778,0.47593,0.82778,0.42,0.47593,0.75238,0.05593,0,-0.05593,0.0754,0.57047,0.14382,0,0.64706,0,0.17647,2.75,0.45833,2.75,0.45833,0,0,-2.75,-0.45833,0,0,5.53157,0.92193,6.37132,0.83975,0.13996,2.29751,0.38292,2.56066,0.26315,0.04386,0.35334,0.05889,0.35334,0.05889,0,5.01,1,1,1,1,1,1,1,1.134969975,1.791667484,2.362740278,2.821888196,2.358563195,1.190810417,20.42945954,32.25001472,42.52932501,50.79398752,42.45413752,21.43458751,0.272179949,0.429664199,0.566614574,0.676723969,0.565612857,0.285571183,3.034955027,2.378257517,1.807184723,1.348036806,1.811361806,2.979114584,0.27767102,0.438332421,0.57804569,0.690376477,0.577023764,0.291332414,10.25843817,15.10631013,17.36419634,17.8269371,12.2670371,1.200128547,21.93297423,17.39589441,15.68588195,15.6482882,12.8683382,4.694068752,6,1.632653061,5.333333333,6,0,4,1.9,0.8718,1.144714243,1.889881575,0,2.381101578,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.436,0.422,0.37,0.184,2.707,7,3,0,0,0,0,0,0,0,21,1.791759469,2.079441542,1.386294361,0,0,0,0,0,0,0,3.091042453,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,5,1,0,2,3,0.5,3,0.666666667,0,0,0,0,0,0,0,0,0.6,0.095238095,0,0,0,0,0,0,0,0,0.695238095,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,20.23,103.8266085,3.584962501,3.218875825,3.80666249,4.634728988,5.252273428,6.084499413,6.708084084,7.5416831,8.166500319,9.000483165,65.41379081,2.397895273,0,3.663561646,0,5.081404365,0,6.532334292,0,7.989899375,8.256088134,88.088815,4.893823056,10.46599026,1.74433171,2.301776695,2.301776695,0,28,3,1.159,24,1.216411765,2.107778965,2.898518332,3.403951952,3.922995841,0,0,0,0,0,77.15821427,103.0231005,68.96703954,18.40056796,3.986014846,0,0,0,0,0,263.9099389,335.0770225,345.8428646,205.1036263,121.9414001,0,0,0,0,0,9.180431628,15.5770548,22.15290029,23.87666108,26.35650633,0,0,0,0,0,1.941447524,2.542558446,2.914267461,2.240051337,1.744214576,0,0,0,0,0,178.6200885,333.0964967,471.4568493,595.8817917,725.4311798,0,0,0,0,0,3.210566176,5.500259363,8.416409052,5.524449545,3.922995841,0,0,0,0,0,0.425350094,0.583726002,0.691409386,0.515855595,0.401714774,0,0,0,0,0,318.2541023,175.89018,14.42240416,142.9150341,-78.98515963,-14.63879951,175.3390682,254.8753397,29.06120367,0.690102778,0.381400589,0.031273568,0.309897222,-0.171271565,-0.0317428,146.7689695,81.11512243,6.65116767,65.90800284,-36.42551785,-6.750962529,0.380855669,0.705334969,13.04237601,16.93345826,402.9165228,58.25261362,0.873684926,0.126315074,346.0061755,18.60124124,7.020390718,470.5945044,21.69319028,7.778256915,590.3183585,24.29646802,8.388714808,1.267790508,1.186876342,188.8315055,185.6354317,108.8266645,1.017216938,1.735158441,1.705789961,3.338653043,3.220194404,5.261228039,0.633823111,3.782243497,4.176873519,2.314154647,14.70804367,7.08138967,5.662690315,4.025288016,6.657112493,1.876965427,0.006683872,3.96E-24,4.53E-67,9.99E-132,4.25E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337322539,4.303721787,0.146232693,5.701537681,0.960059102,0.115555587,0.266007513,0.321130085,0.013219621,4.71E-05,2.79E-26,3.19E-69,7.04E-134,2.99E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.969469194,4.067499342,0.503668185,6.457331797,1.578487063,0.595526488,0.792653858,1.193178975,0.137758643,4.91E-04,2.91E-25,3.32E-68,7.33E-133,3.12E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.793087398,4.303405949,2.151338626,14.64128675,6.86089717,5.12593832,3.743024771,6.120200287,1.672342403,0.00595521,3.53E-24,4.04E-67,8.90E-132,3.79E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.361918399,3.977744369,0.774299048,7.213191392,2.113480787,1.110177059,1.217275312,1.916894072,0.299230181,0.001065558,6.32E-25,7.22E-68,1.59E-132,6.77E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.748236975,4.257120448,2.951173854,18.13413086,9.550250372,8.04515007,5.297865917,8.814266718,2.737377675,0.0097478,5.78E-24,6.61E-67,1.46E-131,6.20E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.311979175,3.995746895,0.949992723,13.82665412,5.399160734,2.285447725,2.239701518,3.33853913,0.61288667,0.002182489,1.29E-24,1.48E-67,3.26E-132,1.39E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.304217599,1.201721088,0.761438042,0.539961139,0.281606515,0.490227256,0.472345686,0.386701388,4.267376729,5.438581969,11.8144011,0.309941709,1.349274329,1.519006122,0.65375285,0.624460969,0.54304136,0.233715211,0.219554388,0.221300352,0.154943776,2.797219941,2.349857754,5.76720152,0.314562041,0.595798516,1.918575916,0.90419242,0.574324201,0.564769989,0.266166556,0.340842731,0.265285676,0.219992941,3.397092537,3.35594597,7.749354193,0.347154984,0.826121349,2.244851544,1.167112342,0.792912479,0.53386862,0.277561631,0.465240905,0.447776261,0.42199391,4.204876366,5.325382688,11.60768495,0.300802931,1.335011076,2.087298241,1.020227821,0.573530592,0.567037793,0.27715624,0.402709092,0.337299644,0.218035212,3.681056654,3.911780999,8.814182369,0.350556689,0.958043948,2.338316322,1.23134594,0.796224092,0.535587996,0.282038019,0.504791071,0.497092446,0.423420056,4.365886354,5.721527403,12.37996292,0.303381994,1.425303573,2.255653893,1.171585632,0.789798616,0.53489056,0.27782192,0.469665528,0.450927617,0.418472059,4.217038142,5.349520727,11.65375311,0.30233584,1.339065204 +UMLYSI0305,L,4-methyl-2-pentanone,CC(C)CC(=O)C,saturated alkanone,C6H12O,108-10-1,7909,PubChem,,32.8,0,0.3538,0.12517444,29.5874,19.363516,0,0,19,7,12,0,6,0,1,0,0,0,0,0,0,0,1133.745495,1058.76965,1309.522631,980.07576,837.48782,245.0952,18.289152,0,0,3130.497121,3797.153407,4869.666819,4756.223876,3521.133702,1962.172413,559.5073998,0,0,139.21638,133.148048,238.8371,290.346888,297.194816,162.393984,120.932352,0,0,22.71195886,28.64637172,38.88601801,40.43475799,31.93123952,17.90497835,8.003032287,0,0,3165.229247,2624.785681,5239.795721,6307.685046,7269.461727,3503.329189,3328.517736,0,0,79.80555556,47.16666667,74.22222222,100.8333333,86,69,18,0,0,59.67081553,58.82053611,39.68250397,25.13014769,19.94018619,11.6712,1.016064,0,0,164.7630063,210.9529671,147.5656612,121.9544584,83.83651671,93.43678159,31.08374443,0,0,7.327177895,7.397113778,7.237487879,7.444792,7.076067048,7.733046857,6.718464,0,0,1.195366256,1.591465096,1.178364182,1.036788666,0.760267608,0.852618017,0.444612905,0,0,166.591013,145.8214267,158.7816885,161.735514,173.0824221,166.8251995,184.917652,0,0,4.200292398,2.62037037,2.249158249,2.585470085,2.047619048,3.285714286,1,0,0,0.125470344,-0.043792832,0.013412093,-0.058230479,0.064354802,-0.051443097,0.012964341,0,0,605.7336044,-45.41908671,93.72540758,-506.8584002,393.1711269,-564.6998261,327.2139763,0,0,916.6964704,-95.75164029,10.66748546,-682.2312297,472.4295577,-653.740033,490.2776246,0,0,1.062550737,-0.002447645,0.133494404,-0.472055934,0.242835845,-0.629765551,0.196663512,0,0,4.063287563,-0.461433045,-0.420527699,-2.439619519,1.360197496,-1.958876983,1.888615969,0,0,22.47243353,-2.562605463,-3.059085009,-12.35129549,6.135287904,-9.184291683,9.785772976,0,0,34.00292398,-1.564173592,5.497845491,-16.56740536,10.24792244,-20.11288089,5.497229917,0,0,0.006603702,-0.002432935,4.06E-04,-0.001493089,0.001532257,-0.002449671,7.20E-04,0,0,31.88071602,-2.523282595,2.840163866,-12.99636924,9.361217307,-26.89046791,18.17855424,0,0,48.24718265,-5.319535572,0.323257135,-17.49310845,11.2483228,-31.13047776,27.23764581,0,0,0.055923723,-1.36E-04,0.004045285,-0.012103998,0.005781806,-0.029988836,0.010925751,0,0,0.21385724,-0.025635169,-0.012743264,-0.062554347,0.032385655,-0.093279856,0.104923109,0,0,1.18275966,-0.14236697,-0.092699546,-0.316699884,0.146078283,-0.437347223,0.543654054,0,0,1.789627578,-0.086898533,0.166601379,-0.424805266,0.243998153,-0.957756233,0.305401662,0,0,-0.368419868,0.061545334,-0.226098805,0.232030022,-0.370954229,0.109066271,0,0,-0.079147614,0.089087204,-0.407656128,0.293632593,-0.843471266,0.570205331,0,0,-0.11025588,0.006700021,-0.362572641,0.233139474,-0.645228924,0.564543758,0,0,-0.002431532,0.07233576,-0.216437634,0.103387356,-0.536245339,0.195368801,0,0,-0.119870476,-0.059587712,-0.292505162,0.151435858,-0.436178154,0.490622199,0,0,-0.12036847,-0.07837564,-0.267763515,0.123506312,-0.369768464,0.459648797,0,0,-0.048556769,0.093092764,-0.237370764,0.136340184,-0.535170694,0.170650959,0,0,1.096744496,0.696126185,1.45559027,0.535739388,2.330603395,0.004149381,0,0,1.212328523,0.88646729,1.448849684,0.519039504,1.98189853,0,0,0,1.492302918,1.092143786,1.360526189,0.561866633,1.497089647,0,0,0,0.521883785,0.520629855,1.517126323,0.607822807,2.844229627,0,0,0,1.578834284,1.181956255,1.305469784,0.611189036,1.285388827,0,0,0,1.583316226,1.196478905,1.292177878,0.627316015,1.251156866,0,0,0,0.575113939,0.49305029,1.543796345,0.567178114,2.873702443,0,0,0,25.96314285,13.10657143,20.3329338,26.14171428,3.734530612,13.10657758,0.25,0.068013005,0.009716144,-1.881639444,30.58368688,4.369098126,2.394326731,25.96489984,13.10708271,20.3336424,26.14294669,3.734706669,13.10708887,0.249265579,0.067988311,0.009712616,-1.881893637,30.58985987,4.369979981,2.394468004,27.529989,13.56549726,20.9960364,27.24499295,3.89214185,13.56550072,-0.398994478,0.043721061,0.006245866,-2.190947737,42.43781807,6.062545438,2.62362793,25.96674386,13.10761933,20.33438618,26.14424015,3.734891449,13.10762548,0.2484948,0.067962389,0.009708913,-1.882160577,30.59634635,4.370906621,2.394616421,29.20510565,14.06140569,21.78952822,28.43203832,4.06171976,14.06140769,-1.082294264,0.011852043,0.001693149,-3.104678512,44.57674377,6.368106254,2.658048598,26.14724822,13.1601912,20.40757667,26.27091549,3.752987928,13.16019692,0.173134186,0.065397108,0.009342444,-1.909094066,31.27221929,4.467459899,2.409911099,31.41061657,15.75768821,25.20461995,31.66597371,4.52371053,15.75768869,0.595833333,0.12474119,0.01782017,-1.457059919,21.30881147,3.044115924,2.14138447,0,11.89,15.99491614,-0.299487967,0.191284835,4.115246849,7.408132304,6,18,17,17,5,1,1,0,0,1,14.076484,3.558319352,3.12344078,2.333552793,2.229348518,1.89666642,1.013391022,0.083923071,0.083923071,1.874120128,1.556280499,1.249629723,1.109819166,0.41216828,0.201056763,0.083923071,0.083923071,3.533611473,3.093119753,2.405454588,2.288511769,1.729416719,1.115994053,0.270913902,0.270913902,1.833592029,1.512587495,1.134540686,1.002392129,0.406186076,0.207441325,0.270913902,0.270913902,3.667227493,3.284656791,2.704236987,2.585130525,2.145438227,1.598055479,0.943918427,0.943918427,1.655083163,1.260910823,0.76031856,0.631552381,0.036015662,0.337358679,0.943918427,0.943918427,3.540248905,3.09902604,2.457539916,2.336772788,1.693370082,1.192937891,0.399277246,0.399277246,1.811391263,1.485681914,1.058262671,0.931617153,0.443273648,0.113043226,0.399277246,0.399277246,3.707514721,3.34080596,2.838982085,2.713698371,2.190780519,1.795321321,1.207644823,1.207644823,1.612039294,1.203442543,0.631337262,0.507329386,0.089166256,0.525489439,1.207644823,1.207644823,4.737007632,3.397884332,2.812841976,2.612600818,2.360692296,1.298914343,0.571428571,0.571428571,1.759900725,1.268935406,0.898315104,0.820812075,0.046094333,0.431259103,0.571428571,0.571428571,0,0,0,1,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.552585858,0,0,0,0.471404521,0.942809042,0.23570226,0.287457479,0.454124145,0.083333333,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,5.192705341,2.620626365,2.299986098,0.695705769,0.574914957,0,0,0,0.741815049,0.436771061,0.328569443,0.173926442,0.143728739,0,0,0,9.965765927,18.6576839,17.70196078,17.96,11.27156647,146.3240515,0.524513996,0.981983363,0.931682147,0.945263158,0.59324034,7.701265868,1.6215,30.136,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,38,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,2,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.238541667,0.802777778,0,0,0,0,0,0,0,0,0,0,5.711111111,0,0.722222222,0,0,0,0.525462963,0,0,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.265625,0.401388889,0,0,0,0,0,0,0,0,0,0,1.625,0,0.722222222,0,0,0,0.525462963,0,0,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.043055556,0,0.722222222,0,0,0,0.525462963,0,0,0.287037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.25416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.5,2.5,0.544097222,10.25416667,0.265625,0.287037037,2.998160648,1.37962963,3.254166667,6.680555556,1.37962963,3.254166667,6.680555556,3.33333,0.47619,0,0.02381,0.48772,0.80952,0.42174,0.48772,0.80952,0.06598,0,-0.06598,0,0.58823,0.12606,0,0.55,0.3,0,4.75,0.67857,3.25,0.46429,1.5,0.21429,-1.75,-0.25,0,0,5.60639,0.80091,7.47656,1.87016,0.26717,2.3835,0.3405,3.12588,0.74238,0.10605,0.28812,0.04116,0.28812,0.04116,0,6.01,1,1,1,1,0,0,0.833333333,1.167436723,1.878477513,2.970840013,2.970840013,2.747264881,1.95822751,22.18129774,35.69107275,56.44596025,56.44596025,52.19803274,37.20632268,0.27482501,0.44221035,0.699362219,0.699362219,0.64673064,0.46098421,3.08049079,2.36945,1.2770875,1.2770875,1.500662633,2.289700004,0.27482501,0.44221035,0.699362219,0.699362219,0.64673064,0.46098421,10.29981851,18.83230798,19.93321825,19.93321825,17.25031667,11.53995111,25.71846446,16.28162645,16.57668442,16.57668442,15.23523362,11.86855782,7,3.06122449,6,7,1,5,2.01,0.9697,0.944940787,1.5,3.464101615,0,0,2,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0.003,0.437,0.423,0.559,0.164,3.16,7,4,4,0,0,0,0,0,0,28,2.079441542,2.302585093,1.791759469,1.945910149,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,2.5,0.444444444,0.5,0,0,0,0,0,0,0,0.416666667,0.063492063,0.125,0,0,0,0,0,0,0,0.60515873,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,17.07,118.4861345,3.807354922,3.295836866,3.891820298,4.65396035,5.262690189,6.033086222,6.64509097,7.417580402,8.030409562,8.803424212,67.03389907,2.564949357,0,3.713572067,0,4.976733742,0,6.300785795,0,7.655864018,7.958576904,100.088815,5.267832369,12.50916243,1.787023205,2.353722019,2.353722019,0,48,4,1.515,26,1.230611111,2.12103616,2.929552435,3.507444006,4.615717238,5.388940886,0,0,0,0,82.68712511,95.45405843,78.80940754,77.95564844,52.9907806,5.475508833,0,0,0,0,283.9634567,340.8787932,373.4421494,322.2767485,439.4380452,167.5084613,0,0,0,0,9.132995542,15.455765,21.83800757,24.83366863,35.14336204,36.20540534,0,0,0,0,2.091655824,2.657436263,3.138460391,2.86015175,4.075136547,2.395992661,0,0,0,0,177.3517926,332.4642362,471.3368965,600.6746053,762.3096694,996.5102956,0,0,0,0,3.273416667,5.07003966,7.632776413,7.223760541,13.99792761,5.388940886,0,0,0,0,0.447387083,0.589369519,0.716756691,0.658597777,0.979669877,0.551827547,0,0,0,0,355.83439,167.2699736,11.24322526,140.0132906,-65.81718933,-14.85114539,215.8210994,233.0871629,26.09437066,0.717628425,0.337341446,0.022674756,0.282371575,-0.132736709,-0.029951023,176.4396569,82.94042842,5.574927169,69.42526537,-32.63530067,-7.363905996,0.276179363,0.637060715,4.577241911,19.95704248,464.5209294,31.32675112,0.936821826,0.063178174,444.2955983,21.07832058,7.630576257,560.5400313,23.67572663,8.245219299,743.2474783,27.26256551,9.058253729,1.466071549,1.466071549,367.0943366,306.9940536,100.7031294,1.195770186,3.645312104,3.048505596,3.756230434,3.285516602,6.459306918,0.965994302,3.360021677,4.829722797,2.101725945,12.87919841,3.042241378,2.214508117,3.802837146,7.969001903,3.498671088,2.673250347,1.003391444,1.694936254,4.02E-13,1.84E-47,1.62E-103,2.77E-181,9.08E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,0.298477101,4.829555905,0.129848944,5.551998594,0.329112994,0.090083741,0.372205781,0.447445512,0.97387853,0.024129653,0.007115375,0.011937575,2.83E-15,1.30E-49,1.14E-105,1.95E-183,6.40E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0.916142542,4.829449611,0.449826549,6.183564631,0.554572165,0.353472511,0.794755283,1.469626846,1.424141986,0.209822625,0.073767622,0.124398731,2.95E-14,1.35E-48,1.19E-104,2.03E-182,6.67E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,3.176697216,4.829762943,1.951815445,12.77726947,3.009705819,2.024819367,3.524945416,7.577750203,3.321110088,2.385468488,0.894037043,1.510157687,3.58E-13,1.64E-47,1.45E-103,2.46E-181,8.09E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,1.34265012,4.829423473,0.69398442,6.794772901,0.743532422,0.584680653,1.167252271,2.260111378,1.752554453,0.442716437,0.160114014,0.270210668,6.41E-14,2.93E-48,2.59E-104,4.41E-182,1.45E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,4.057735794,4.829870904,2.689927216,15.74552918,4.283438225,2.987587618,5.024435039,10.61666451,4.182389049,3.881391619,1.46319423,2.471905233,5.86E-13,2.68E-47,2.37E-103,4.03E-181,1.32E-280,0,0,0,0,0,0,0,0,0,0,0,0,0,2.084230024,4.161406128,0.946587482,12.00817543,2.641026798,1.03801432,1.888819403,4.831243806,2.6402297,0.895415995,0.327843621,0.553448573,1.31E-13,6.01E-48,5.30E-104,9.03E-182,2.97E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,3.924806068,1.232696033,0.529937156,0.690083162,0.216740079,0.522499441,0.490918306,0.476750056,5.687439257,7.571244867,15.8225693,0.535124743,1.490167803,2.930015442,0.840431796,0.216448864,0.734911411,0.21079852,0.296286177,0.203321099,0.063473948,3.986896102,3.278587162,7.79848386,0.602367117,0.563081223,3.361835515,0.945508354,0.331191239,0.724762331,0.203837706,0.382598752,0.281140806,0.180092011,4.638535107,4.605198113,10.29647212,0.587143496,0.843831569,3.858519066,1.230832302,0.526333811,0.687096755,0.219177583,0.504330786,0.483979923,0.464971085,5.615685179,7.427887604,15.543232,0.530645133,1.453281794,3.570405547,1.011055144,0.380178704,0.719601983,0.203774411,0.432081918,0.329311255,0.244425645,4.961639395,5.351650682,11.68568839,0.579402974,1.005818819,3.985298075,1.273170897,0.557199472,0.685269133,0.218920819,0.538747757,0.523543854,0.527133865,5.815668444,8.003981659,16.64686101,0.5279037,1.589425476,3.865712136,1.23474495,0.526953369,0.68694334,0.219416188,0.506166524,0.486548254,0.465277809,5.627410454,7.460871582,15.60351928,0.530415011,1.457992587 +UMLYSI0306,L,tert-butyl acetate,CC(=O)OC(C)(C)C,saturated esters,C6H12O2,540-88-5,10908,PubChem,,32.7,0,0.9524,0.90706576,31.2166,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1951.322254,1229.052937,1182.003114,363.070512,27.433728,0,0,3346.887898,3979.09551,5173.950224,5292.260663,4394.839708,2803.38177,839.2610996,0,0,152.568096,145.6753,259.716352,310.380844,319.533312,213.357888,181.398528,0,0,23.35516286,28.53615172,37.19339058,40.56025737,37.75180015,24.85670945,12.00454843,0,0,3350.680532,2804.677982,5515.827749,6194.490762,7670.660231,4422.864349,4992.776605,0,0,93.59027778,56.70833333,108.8333333,120.25,99.75,99,27,0,0,69.4856748,68.35965826,57.391831,32.34349834,26.26673587,13.447056,1.016064,0,0,167.3443949,209.4260795,152.1750066,139.2700175,97.66310461,103.8289545,31.08374443,0,0,7.6284048,7.667121053,7.638716235,8.167916947,7.100740267,7.902144,6.718464,0,0,1.167758143,1.501902722,1.093923252,1.067375194,0.838928892,0.920618869,0.444612905,0,0,167.5340266,147.6146306,162.2302279,163.0129148,170.4591162,163.8097907,184.917652,0,0,4.679513889,2.984649123,3.200980392,3.164473684,2.216666667,3.666666667,1,0,0,0.252468795,-0.178809665,0.176639765,-0.191225556,0.111458861,-0.067568608,0.023270805,0,0,715.056216,-13.739645,493.026382,-1052.567591,569.863146,-976.1904,622.08,0,0,931.2646053,-148.2416011,288.7839034,-833.2981565,551.4327478,-1115.94163,791.6324341,0,0,1.9334688,0.00145024,1.11044224,-2.08226912,0.6285432,-1.25199648,0.62709552,0,0,4.097118945,-1.072153629,-0.100163803,-1.279074621,1.123789997,-3.391242067,2.67028465,0,0,23.01673804,-6.548761719,-2.517054831,-3.524508086,3.976463463,-16.10494225,13.2104344,0,0,37.75659722,-3.866336806,22.18670139,-31.80975694,18.61015625,-36.14953125,12.15046875,0,0,0.01262344,-0.009411035,0.005195287,-0.005032251,0.002476864,-0.002502541,8.62E-04,0,0,35.7528108,-0.723139211,14.50077594,-27.69914713,12.66362547,-36.1552,23.04,0,0,46.56323026,-7.80218953,8.493644217,-21.92889885,12.25406106,-41.3311715,29.31971978,0,0,0.09667344,7.63E-05,0.032660066,-0.054796556,0.013967627,-0.04637024,0.02322576,0,0,0.204855947,-0.056429138,-0.002945994,-0.033659858,0.024973111,-0.125601558,0.098899431,0,0,1.150836902,-0.344671669,-0.074031024,-0.092750213,0.088365855,-0.596479342,0.489275348,0,0,1.887829861,-0.203491411,0.652550041,-0.837098867,0.413559028,-1.338871528,0.450017361,0,0,-0.745520649,0.41155876,-0.398643441,0.196211463,-0.198245572,0.068276292,0,0,-0.02022608,0.405584222,-0.774740405,0.354199437,-1.011254757,0.644424857,0,0,-0.167561174,0.182410975,-0.470948831,0.263170338,-0.887635399,0.629675382,0,0,7.90E-04,0.337839078,-0.566821205,0.144482566,-0.479658529,0.240249649,0,0,-0.275457653,-0.014380809,-0.164309891,0.121905717,-0.613121365,0.482775496,0,0,-0.299496539,-0.06432799,-0.080593708,0.076783995,-0.518300501,0.425147427,0,0,-0.107791181,0.345661468,-0.443418596,0.219065837,-0.709211966,0.238378135,0,0,1.718601569,0.693186299,2.061442944,0.553258778,1.129254886,0.002106564,0,0,1.04922138,0.598758841,1.94601606,0.443004583,2.067525061,0,0,0,1.505949528,0.862231631,1.433118737,0.635845356,1.814797426,0,0,0,0.713221749,0.636856958,2.349276596,0.301138072,1.92488616,0,0,0,1.749688453,1.08052979,1.168093688,0.738757347,1.569861695,0,0,0,1.787392882,1.133803832,1.129277961,0.754676994,1.504339915,0,0,0,0.670964419,0.357580456,1.555743569,0.442766625,3.187080992,0,0,0,27.57040478,14.03520239,20.45800838,27.94540478,3.493175597,14.03520513,0.5,0.025117237,0.003139655,-2.947360757,29.64506073,3.705632592,2.711436421,27.5839225,14.04122683,20.4691701,27.95782087,3.494727609,14.04122955,0.498531158,0.024977946,0.003122243,-2.951809588,29.64483453,3.705604316,2.711430316,39.64434874,19.42317989,30.50030532,39.04585703,4.880732128,19.4231799,-0.797988956,0.059197721,0.007399715,-2.261497789,31.33114518,3.916393147,2.755690125,27.59810993,14.04754977,20.48088517,27.97085213,3.496356516,14.04755247,0.4969896,0.024831908,0.003103988,-2.956500683,29.64460859,3.705576073,2.711424219,52.50901811,25.17221479,41.25358676,50.88557671,6.360697089,25.17221479,-2.164588529,0.10357144,0.01294643,-1.813994934,34.09207779,4.261509724,2.823252028,28.9875885,14.66692844,21.62987901,29.24728978,3.655911223,14.66692984,0.346268372,0.011253567,0.001406696,-3.589656101,29.67249545,3.709061931,2.71217643,29.38616562,14.97576706,21.05575077,29.90322912,3.73790364,14.97576825,1.034126984,0.204099452,0.025512431,-1.271318316,26.79157506,3.348946882,2.63046998,0,11.89,15.99591765,-0.310055144,0.258849497,3.878934075,7.884646388,7,19,18,18,6,1,1,0,0,1,15.992484,3.574702384,3.198599346,2.333552793,2.333552793,2.138594574,1.579521955,0.261031795,0.083923071,1.822384857,1.53897774,1.249629723,1.249629723,0.559183369,0.083923071,0.083923071,0.083923071,3.487697391,3.129084957,2.405454588,2.405454588,2.044623076,1.235287844,0.270913902,0.270913902,1.805938931,1.520313,1.134540686,1.134540686,0.712150104,0.113134779,0.270913902,0.270913902,3.660791167,3.327769353,2.704236987,2.704236987,2.431233303,1.72073615,0.943918427,0.943918427,1.600931132,1.265611862,0.76031856,0.76031856,0.286141298,0.561316737,0.943918427,0.943918427,3.479946157,3.11739426,2.457539916,2.457539916,2.023568538,1.167218357,0.399277246,0.399277246,1.804014706,1.509464829,1.058262671,1.058262671,0.739503672,0.023889429,0.399277246,0.399277246,3.683902794,3.366428599,2.838982085,2.838982085,2.496252772,1.712717802,1.207644823,1.207644823,1.565799342,1.224052321,0.631337262,0.631337262,0.231555889,0.596167378,1.207644823,1.207644823,4.629483156,3.511005366,2.77814444,2.578143557,2.578143557,2.281037698,0.549618321,0.549618321,1.69911728,1.255342649,0.929288595,0.929288595,0.091417176,0.51796217,0.549618321,0.549618321,0,0,1,0,0,4,0,1,0,0,0,0,0,0,0,0,0,0,0,1.968908462,0.353553391,0,0,1.195705769,0.204124145,0,0,0.816496581,2.041241452,1.020620726,0.347852885,0.65824829,0.268728739,6.78445705,3.416502219,4.158631167,1.020620726,1.224744871,0,0,0,0.848057131,0.488071746,0.415863117,0.204124145,0.204124145,0,0,0,5.816496581,2.612372436,2.706016132,0.449914957,0.431186218,0,0,0,0.727062073,0.373196062,0.270601613,0.089982991,0.07186437,0,0,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.348,31.519,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,45,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,1,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.03576389,-0.224537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.130208333,0.5125,0,0,0,0,0,0,0,0,0,0,6.932986111,0,0,0,0,0,0,0,0,-0.224537037,0,0,-0.327546296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.23715278,4.798611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.798611111,-0.224537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.376736111,0.5125,0,0,0,0,0,0,0,0,0,0,1.407986111,0,0,0,0,0,0,0,0,-0.224537037,0,0,-0.327546296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.23715278,4.798611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.23715278,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.376736111,0.5125,0,0,0,0,0,0,0,0,0,0,1.841666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.23715278,4.798611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.41666667,2.677083333,0.605208333,10.23715278,0.145833333,-0.327546296,2.94646088,1.891203704,3.237152778,9.071527778,1.891203704,3.237152778,9.071527778,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.63636,0.13636,0.13636,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,6.78738,0.84842,9.73928,2.9519,0.36899,2.33805,0.29226,3.41649,1.07844,0.13481,0.49751,0.06219,0.49751,0.06219,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,1.933206219,2.419973094,2.419973094,2.203876689,1.77168388,25.90923688,38.66412439,48.39946188,48.39946188,44.07753379,35.4336776,0.299741647,0.447301801,0.55992905,0.55992905,0.50992905,0.40992905,3.026466251,2.388721876,1.901955001,1.901955001,2.118051406,2.550244215,0.299741647,0.447301801,0.55992905,0.55992905,0.50992905,0.40992905,12.01211119,20.06453515,20.55511099,20.55511099,17.09866745,11.91235374,29.38046565,20.04323714,20.63433191,20.63433191,18.90556067,16.31240382,8,2.52,7.2,8,3,2,1.9,1.0284,2.121320344,0,1.754765351,3.039342743,0,0,0,0,0.5,0,0,0.5,0,0,0,0,0,0,0,0.003,0.475,0.453,0.479,0.059,2.946,10,5,6,0,0,0,0,0,0,36,2.197224577,2.564949357,1.945910149,2.302585093,0,0,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,2,4,1,4,0.666666667,0.75,0,0,0,0,0,0,0,0.571428571,0.066666667,0.15,0,0,0,0,0,0,0,0.788095238,17.03381745,25.43806861,34.06763491,4.258454363,17.03381757,0.074695925,0.009336991,-2.075463788,34.55960745,4.319950931,2.834148468,26.3,127.2763612,4,3.555348061,4.17438727,5.056245805,5.686975356,6.577861358,7.211556733,8.105005538,8.739536423,9.633841843,73.74075839,2.708050201,0,4.007333185,0,5.416100402,0,6.882437471,0,8.379079889,8.635687085,116.0837296,5.804186481,14.27908074,1.784885093,5.118255484,5.118255484,0,66,5,1.541,34,1.230631579,2.10572074,2.927191059,3.45614379,4.263944626,4.993488767,0,0,0,0,94.58963281,135.3432332,96.19947514,95.22890548,56.3103476,5.073704171,0,0,0,0,279.0386343,348.2357401,414.3412943,355.959654,451.0821977,155.2163287,0,0,0,0,9.500427541,16.28914421,23.82429939,24.53231448,33.09293554,33.54857452,0,0,0,0,1.953218228,2.438877363,3.179061741,3.027919136,4.073355176,2.220169546,0,0,0,0,180.0610686,337.6990797,475.5825268,585.7398421,690.2835539,923.3842183,0,0,0,0,3.747188596,7.281613697,9.17218565,7.575272116,14.35687769,4.993488767,0,0,0,0,0.448387105,0.603815413,0.786367028,0.695203322,0.982310632,0.51133325,0,0,0,0,426.0093232,291.098314,23.32980396,86.52039434,-59.12063317,-14.81594857,339.4889288,350.2189472,38.14575254,0.831189507,0.567963777,0.045518929,0.168810493,-0.115350644,-0.028907492,218.342438,149.1965367,11.95721783,44.34427327,-30.30108142,-7.593613937,0.378768547,0.453695338,18.79675729,7.1193212,415.0022951,97.52742235,0.809713624,0.190286376,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,1081.371374,32.88421163,10.26419647,1.490479622,1.022399729,358.0051546,322.0186525,146.7330769,1.11175285,2.439839484,2.194588019,3.72778289,3.245497338,6.248692527,0.925342059,3.360032699,4.293077847,2.680597919,12.28967455,3.592858414,5.070773522,4.748789515,3.108340741,5.970665326,3.561878283,0.00442369,0.003615962,6.12E-25,2.00E-68,1.26E-133,1.53E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.298491782,4.443993861,0.123734665,5.577309524,0.335374358,1.454397901,1.104500174,0.373043797,0.18268532,0.06169476,3.12E-05,2.55E-05,4.31E-27,1.41E-70,8.86E-136,1.08E-222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.91615042,4.162914637,0.460987489,5.737158008,0.666445097,1.913458239,1.286392747,0.757918766,0.799518959,0.355475158,3.25E-04,2.65E-04,4.49E-26,1.47E-69,9.23E-135,1.12E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.176711882,4.443636234,2.458936932,13.59782756,4.174974779,4.751979038,4.430693874,3.268107757,5.416594968,3.198776312,0.003941434,0.003221757,5.45E-25,1.78E-68,1.12E-133,1.36E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.342655413,4.056117155,0.747343246,5.894525398,0.764814206,2.311125113,1.577798497,0.975104911,1.390600146,0.68205529,7.05E-04,5.76E-04,9.76E-26,3.18E-69,2.00E-134,2.43E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.057749124,4.388573003,3.576002017,15.28347165,5.133908467,6.368549781,6.430734095,4.125270582,8.248963814,5.075259061,0.006451508,0.00527354,8.92E-25,2.91E-68,1.83E-133,2.23E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.068601434,3.782022445,0.965243049,16.43474866,4.146922183,2.796961512,2.974033662,3.469460346,2.356227651,1.219815679,0.001336343,0.001092311,1.85E-25,6.03E-69,3.80E-134,4.61E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.436472397,1.164240124,1.073611226,0.605617964,0.205176894,0.485727342,0.454861664,0.430981311,5.674323747,8.94025566,18.90996807,0.408426947,1.371570317,2.369538305,0.789877051,0.477017299,0.651610666,0.217212066,0.239076691,0.205507223,0.08441219,3.636432656,3.37873971,7.907978898,0.477415999,0.528996103,2.887607531,0.89888901,0.754218286,0.635936772,0.197962005,0.34452127,0.274079053,0.211494552,4.540714827,5.451483607,11.94987659,0.453905158,0.830094875,3.331997925,1.157901807,1.022953659,0.604405321,0.21003675,0.457239653,0.451813033,0.389684206,5.512853391,8.451085777,17.9106237,0.406607982,1.298736892,3.13641851,0.960721589,0.886105085,0.629392774,0.192790351,0.4048769,0.311060817,0.293699631,4.983245184,6.64372165,14.29700081,0.444089161,1.009637349,3.48364914,1.20064875,1.10410676,0.601832344,0.207423085,0.499139366,0.483469379,0.455594328,5.788404651,9.354603955,19.76108859,0.402748516,1.438203073,3.368772051,1.167887451,1.034611324,0.604668514,0.20962676,0.467534022,0.460163893,0.398657955,5.571270826,8.628025896,18.26981627,0.407002771,1.32635587 +UMLYSI0307,L,methyl heptanoate,CCCCCCC(=O)OC,saturated esters,C8H16O2,106-73-0,7826,PubChem,,32.5,0,-1.0547,1.11239209,34.0827,26.352688,0,0,26,10,16,0,8,0,2,0,0,0,0,0,0,0,1682.305994,1635.790101,1843.901409,1651.029884,1334.704318,1095.662997,898.906268,702.149539,307.657897,4318.256679,5285.075779,6589.855449,6561.875475,5727.861753,4661.524982,3654.726637,2647.928293,1675.784234,194.522984,189.22686,344.684724,410.083016,379.813,328.82538,265.94048,203.05558,140.266468,30.71141448,38.56812896,52.16184904,54.38105067,47.85157439,39.893419,30.87189014,21.85036128,14.2329069,4343.939853,3670.756885,7364.369679,9271.623267,8501.122709,7576.120636,6097.165481,4618.210326,3113.018667,99.27777778,66,113.1666667,120.5833333,118.8333333,91.58333333,79.41666667,70.5,50,64.70407669,65.43160404,40.08481324,29.4826765,26.1706729,24.3480666,24.96961856,26.00553848,17.09210539,166.0867953,211.4030311,143.2577271,117.1763478,112.3110148,103.5894441,101.5201844,98.07141824,93.09912411,7.481653231,7.5690744,7.493146174,7.322911,7.447313725,7.307230667,7.387235556,7.520577037,7.792581556,1.181208249,1.542725158,1.13395324,0.971090191,0.938266164,0.886520422,0.857552504,0.80927264,0.79071705,167.0746097,146.8302754,160.094993,165.5647012,166.6886806,168.3582364,169.3657078,171.0448269,172.9454815,3.818376068,2.64,2.460144928,2.15327381,2.330065359,2.035185185,2.206018519,2.611111111,2.777777778,0.277311647,-0.153937057,0.029892074,0.014088879,-0.037086,0.003540553,0.003708087,0.030385074,-0.041400475,882.3953095,-16.00761486,-95.42275603,29.60286853,-245.7906682,13.29895349,6.470782485,-0.357388521,-265.950728,1232.223078,-150.640033,-283.2927018,-12.21983333,-214.0073327,15.74690353,14.83699372,13.92708391,-115.7946925,2.012233846,0.022008994,0.668597041,-0.113050746,-0.55838916,-0.151564118,-0.20596071,-0.260357302,-0.63801174,5.44084932,-1.061852848,-1.134349317,-0.365090109,-0.501983084,-0.069235359,-0.07134843,-0.073461502,0.339465591,30.33541873,-6.445201195,-5.59066761,-2.592510873,-2.169472845,-0.69946927,-0.733465935,-0.7674626,3.078540841,38.76068376,0.612590401,10.20545694,-0.040105194,-12.66518738,-3.534516765,-4.610946746,-1.674556213,-10.32149901,0.010665833,-0.006157482,6.50E-04,2.52E-04,-7.27E-04,7.87E-05,1.03E-04,0.001125373,-0.002300026,33.93828114,-0.640304595,-2.07440774,0.528622652,-4.819424868,0.2955323,0.179743958,-0.013236612,-14.77504044,47.39319532,-6.02560132,-6.158536997,-0.21821131,-4.19622221,0.34993119,0.412138715,0.515817923,-6.433038472,0.077393609,8.80E-04,0.014534718,-0.002018763,-0.010948807,-0.003368092,-0.005721131,-0.009642863,-0.035445097,0.209263435,-0.042474114,-0.024659768,-0.006519466,-0.009842806,-0.001538564,-0.001981901,-0.002720796,0.018859199,1.166746874,-0.257808048,-0.121536252,-0.046294837,-0.042538683,-0.015543762,-0.020374054,-0.028424541,0.171030047,1.490795529,0.024503616,0.221857759,-7.16E-04,-0.248337007,-0.078544817,-0.128081854,-0.0620206,-0.573416612,-0.577309108,0.06092611,0.023588138,-0.068178126,0.007376729,0.009657233,0.105511981,-0.215644336,-0.018866736,-0.061122946,0.015576,-0.142005567,0.008707934,0.005296201,-3.90E-04,-0.435350287,-0.127140643,-0.129945596,-0.004604275,-0.088540605,0.007383575,0.008696158,0.010883797,-0.135737598,0.011375096,0.187802564,-0.026084367,-0.141469136,-0.043518987,-0.073922522,-0.124595081,-0.457984799,-0.202969591,-0.117840786,-0.03115435,-0.047035477,-0.007352281,-0.009470842,-0.013001776,0.09012181,-0.220963136,-0.104166769,-0.039678561,-0.036459222,-0.013322308,-0.017462274,-0.024362217,0.146587105,0.016436604,0.148818369,-4.80E-04,-0.166580193,-0.052686512,-0.085915105,-0.041602352,-0.384638001,1.582807073,0.983216823,0.888910993,1.002777554,0.836143763,1.014234591,1.226227153,1.638449939,1.12464819,1.074926366,0.913221688,1.118346032,0.902777778,0.937914506,0.996475721,1.537568717,1.503536455,1.212277325,0.976374504,1.025481261,0.902777778,0.874721933,0.82796219,0.916546155,0.708875861,0.753263,0.832687763,1.220251014,0.902777778,1.112102908,1.460978124,2.376312888,1.687517838,1.234094878,1.004091283,0.980387785,0.902777778,0.871561688,0.819534871,0.65627609,1.716599977,1.225949955,1.007710637,0.97325981,0.902777778,0.878172915,0.837164811,0.625801071,0.552535832,0.51372777,0.876774394,1.490206888,0.907754502,1.124242007,1.386515374,2.320148842,58.20816376,29.35408188,47.17235483,58.60816376,5.860816376,29.35408188,0.5,0.179236868,0.017923687,-1.719047063,117.7535195,11.77535195,4.768593622,58.21856634,29.35854875,47.17774287,58.61739126,5.861739126,29.35854875,0.498531158,0.179061312,0.017906131,-1.720027007,118.5933148,11.85933148,4.775700118,67.65084643,33.42642874,52.26454696,67.01245527,6.701245527,33.42642874,-0.797988956,0.020874588,0.002087459,-3.869222726,50.48961778,5.048961778,3.921767727,58.22948472,29.36323716,47.18339858,58.6270764,5.86270764,29.36323716,0.4969896,0.178877057,0.017887706,-1.721056543,119.499194,11.9499194,4.783309627,77.98742724,37.91141935,58.33831005,76.25575641,7.625575641,37.91141935,-2.164588529,0.149326006,0.014932601,-1.901623405,53.33518636,5.333518636,3.97659627,59.300933,29.82360069,47.7409433,59.5779477,5.95779477,29.82360069,0.346268372,0.160820954,0.016082095,-1.827463618,126.7756171,12.67756171,4.842418729,61.94471694,31.12116235,51.50330689,62.43298789,6.243298789,31.12116235,1.175198413,0.268343141,0.026834314,-1.315488742,50.32050279,5.032050279,3.918412604,0,11.9962919,15.99825971,-0.34959066,0.261219107,4.016470548,7.21143787,9,25,24,24,8,1,1,0,0,1,20.365312,3.555178758,3.331052766,2.943095361,2.627419083,2.297459174,1.797168889,1.382578396,1.137018174,1.892088927,1.669101481,1.446188633,1.288945593,0.964848625,0.699640148,0.542459531,0.400898391,3.518531826,3.273112914,2.91092544,2.618728901,2.272348371,1.823112122,1.462672999,1.252340556,1.84234895,1.644578108,1.419953287,1.207621791,0.900972566,0.624842476,0.444716805,0.354960325,3.664309939,3.464722061,3.150414591,2.879610986,2.568273748,2.190207729,1.900682244,1.738377452,1.655785557,1.410870746,1.107639872,0.888536529,0.538010942,0.185745871,0.057476688,0.185318738,3.529264048,3.26874053,2.910405078,2.645352333,2.286673312,1.856847391,1.525894818,1.336803804,1.817434628,1.638296892,1.392171989,1.157661135,0.865666804,0.574297103,0.368069496,0.256107721,3.707058318,3.500840993,3.218524133,2.972142127,2.655892898,2.319540696,2.074438187,1.939577543,1.606023266,1.367018451,1.045188996,0.792744564,0.44914453,0.065233391,0.220568153,0.379998029,4.959989608,3.482460738,3.342545058,3.136321048,2.648323395,2.156114221,1.897929562,1.672991594,1.77341317,1.463010165,1.084205167,0.969165631,0.623121786,0.308930659,0.123580193,0.208816421,0,0,1,0,0,1,5,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.49279928,0.348461713,0.24639964,0.100592232,0.071129449,0.050296116,7.819990956,4.808060412,3.362755312,2.247400241,1.12370012,0.669575975,0.378355001,0.24639964,0.781999096,0.534228935,0.373639479,0.28092503,0.187283353,0.133915195,0.09458875,0.082133213,6.852030487,3.877156753,2.386792785,1.462125132,0.798176335,0.439395899,0.211588168,0.108253175,0.685203049,0.430795195,0.265199198,0.182765641,0.133029389,0.08787918,0.052897042,0.036084392,13.76422064,25.76402039,24.50196078,24.88,15.34891497,200.5350826,0.529393102,0.990923861,0.942383107,0.956923077,0.590342883,7.712887794,2.1298,40.775,31.7954299,50.01681622,63.5908598,6.35908598,31.7954299,0.090488062,0.009048806,-2.402537352,59.51188318,5.951188318,4.08617601,109,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,1,0,0,0,0,0,0,0,0,0,0,2,0,5,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.04420706,-0.08694161,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.95214888,0.5125,0,0,0,0,0,0,0,0,0,0,3.583627173,0,5.125774046,0,0,0,0,0,0,-0.08694161,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.55273101,4.491476049,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.491476049,-0.08694161,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.240258291,0.5125,0,0,0,0,0,0,0,0,0,0,1.432692508,0,0.579861111,0,0,0,0,0,0,-0.08694161,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.55273101,4.491476049,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.55273101,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,2.150934666,0,1.219240363,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.55273101,4.491476049,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.66666667,2.366666667,0.555902778,10.55273101,0.240258291,-0.08694161,4.031008796,1.753608277,3.552731009,9.390283447,1.753608277,3.552731009,9.390283447,4.66666,0.46667,0,0.03333,0.51282,0.85333,0.425,0.51282,0.85333,0.08782,0,-0.08782,0,0.54687,0.16742,0,0.28571,0.10714,0,6.75,0.675,5.25,0.525,1.5,0.15,-3.75,-0.375,0,0,8.28781,0.82878,11.41149,3.12368,0.31237,3.68293,0.36829,4.80805,1.12513,0.11251,0.10595,0.01059,0.10595,0.01059,0,9.02,2,2,2,2,0,0,0.875,1.238901257,1.931208949,3.257756064,3.719294526,3.5804622,3.5804622,32.21143267,50.21143267,84.70165767,96.70165767,93.09201719,93.09201719,0.263571353,0.410857082,0.693074746,0.791265232,0.761729203,0.761729203,3.461538462,2.769230769,1.442683654,0.981145192,1.119977518,1.119977518,0.263571353,0.410857082,0.693074746,0.791265232,0.761729203,0.761729203,11.26589917,19.88089261,23.75447576,24.21962577,22.91500687,22.91500687,36.56521118,24.09893729,19.72853497,18.3432431,20.42942761,20.42942761,10,7.111111111,7,10,3,7,2.12,1.3102,0.125,2.831012724,0.577350269,0,5.676240019,1.919259748,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,4.356,9,8,6,5,4,3,1,0,0,55,2.397895273,2.48490665,2.397895273,2.079441542,1.945910149,1.791759469,1.609437912,0.693147181,0,0,4.17438727,1.163636364,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0.666666667,8,0.888888889,0,4,8,1,1.5,0.666666667,0.25,0.16,0.111111111,0.081632653,0.03125,0,0,0,0.166666667,0.074074074,0.03125,0.026666667,0.022222222,0.020408163,0.010416667,0,0,0,0.35170446,31.7954299,50.01681622,63.5908598,6.35908598,31.7954299,0.090488062,0.009048806,-2.402537352,59.51188318,5.951188318,4.08617601,26.3,161.8683304,4.321928095,3.610917913,4.262679877,4.94875989,5.624017506,6.318968114,7.002155954,7.700295203,8.38685669,9.086249987,75.94090113,2.944438979,0,4.007333185,0,5.231108617,0,6.520621128,0,7.843456404,8.159088655,144.1150298,5.54288576,18.65620911,1.865620911,5.128148687,5.128148687,0,153,8,2.77,36,1.2352,2.121567974,2.86506901,3.619414652,4.887566772,5.900803806,7.187463974,8.274087396,9.498872537,10.33610385,91.62129167,94.02011535,96.61320285,116.5680732,137.4980853,170.1597492,205.9598099,154.2149832,65.13812797,10.50214302,284.102958,325.083229,365.2582985,467.5363502,553.7664691,657.75629,747.7929812,812.553801,713.7628149,321.2848105,9.406569307,15.98522768,21.04178761,27.03561781,35.88283294,43.81333459,54.27740534,64.63665298,65.81480851,69.44274161,2.0225454,2.52603928,2.947805308,3.783672137,4.610894421,5.410715607,6.052734358,6.813786727,7.569880939,4.595565157,179.5630998,336.2737819,470.8584651,590.27194,814.4997589,987.315058,1221.24878,1422.267382,1597.443252,1911.328055,3.352473333,5.449156937,6.261336615,8.461574081,10.21469794,13.34819754,19.18391594,23.02991712,14.50171678,10.33610385,0.4520484,0.580052264,0.678000957,0.879257521,1.075999515,1.294503005,1.518864089,1.712869864,1.661075915,1.058417034,415.80795,356.0438721,14.68340943,182.0100684,-155.8497607,-22.40310033,233.7978816,511.8936328,37.08650976,0.695542686,0.595572333,0.024561671,0.304457314,-0.260697664,-0.037474783,248.5774848,212.8494421,8.778006727,108.8088985,-93.16979514,-13.39297705,0.305028952,0.372489235,1.956920835,6.672476342,540.596199,57.22181944,0.90428221,0.09571779,710.1477289,26.64859713,8.921740098,865.1403062,29.41326752,9.52859457,1185.451165,34.43038142,10.58346528,3.035002707,3.035002707,1473.288434,1413.880989,82.79530731,1.042017288,17.79434707,17.07682518,4.926626668,5.645455692,11.0000212,0.948473569,4.475634913,6.190062996,5.384957344,22.50843787,10.58106089,1.551862897,4.599727629,8.464009126,12.36033078,1.3425555,3.697237163,6.587618199,6.632033479,1.488352012,3.85999126,3.738636475,2.648981562,1.082421512,2.390151683,0.074824406,2.192042727,2.78E-11,7.47E-44,3.87E-98,3.86E-174,7.44E-272,0,0,0,0,0.392116545,6.340943917,0.506568934,5.90181798,0.301916685,1.07238252,0.652924264,0.339197724,4.521681265,0.051792166,1.937106751,1.292616562,0.321189823,1.4479504,0.191611943,2.153263531,0.113165623,0.145178583,0.016886981,0.006278576,0.015438736,1.96E-13,5.26E-46,2.72E-100,2.72E-176,5.24E-274,0,0,0,0,1.218382569,6.059867195,1.110018094,6.768158358,1.253612553,0.952517795,1.337053389,1.232907278,4.972684245,0.207306475,1.798882158,1.682914552,0.978409635,1.07514341,0.612203847,1.847531462,0.414277949,0.333596692,0.175534498,0.020268612,0.160883534,2.04E-12,5.48E-45,2.84E-99,2.84E-175,5.46E-273,0,0,0,0,4.229749369,6.340617585,6.071627436,21.64769443,9.794999696,1.77774285,4.63360816,7.850471664,12.95718765,1.225343927,3.736175066,6.385067224,6.365961884,1.771754436,3.736475169,3.939980414,2.470439376,1.024027301,2.129609681,0.070627504,1.953070605,2.48E-11,6.66E-44,3.45E-98,3.44E-174,6.63E-272,0,0,0,0,1.788089992,5.953072815,1.355812031,7.948333932,2.18425771,0.893479528,1.769685346,2.034404018,5.402370474,0.346117139,1.867868,2.173779835,1.529970572,0.924733836,0.943316504,1.823172938,0.671754835,0.463797174,0.381173773,0.029872818,0.349460534,4.44E-12,1.19E-44,6.17E-99,6.16E-175,1.19E-272,0,0,0,0,5.405000361,6.285574082,7.451408793,30.37607922,14.93731182,1.900163061,5.745137667,11.65388372,15.69476137,1.819901305,4.530840991,8.499103146,9.230100198,1.752669925,5.309133501,4.642018696,3.608035719,1.299817363,3.485681934,0.090364303,3.196888306,4.06E-11,1.09E-43,5.64E-98,5.63E-174,1.09E-271,0,0,0,0,2.836919434,6.263431003,6.429907481,16.43071396,5.986190295,2.712082836,3.590925306,4.631705367,15.35487608,0.597281513,3.291100692,6.089757928,4.993772632,4.364998628,3.126970664,4.423438457,1.308375573,0.836489623,0.882573728,0.055241683,0.809239936,1.03E-11,2.76E-44,1.43E-98,1.43E-174,2.75E-272,0,0,0,0,11.32303192,0.773951006,0.446274473,0.902718613,0.061702553,0.527533804,0.55115641,0.538444491,12.54325739,14.16204662,30.61621783,0.854077919,1.617134705,10.17217778,0.496062522,0.081101428,0.946307042,0.046148177,0.426044869,0.226926985,0.017782542,10.74934173,5.911245688,17.06982815,0.919460563,0.670754396,10.47990684,0.548972879,0.228378418,0.930946658,0.048766127,0.451936749,0.277982418,0.141009043,11.25725814,8.271942735,20.84310408,0.896419987,0.87092821,11.30297538,0.776232599,0.425105011,0.903926141,0.062077189,0.525683858,0.555184799,0.48857281,12.50431299,13.90866979,30.14274274,0.855889211,1.569441466,10.68019185,0.592192698,0.30183686,0.922756829,0.051164798,0.469336863,0.32276321,0.246309632,11.57422141,9.727152787,23.21041133,0.884135244,1.038409705,11.43876982,0.807219759,0.471148428,0.899476739,0.063474955,0.538373728,0.599594751,0.600139675,12.717138,15.00327976,32.07081437,0.849215108,1.738108155,11.30747102,0.783558822,0.428294123,0.903201407,0.06258795,0.526134117,0.566361533,0.495930795,12.51932396,14.0385857,30.35262501,0.85480211,1.588426445 +UMLYSI0308,L,2-heptanone,CCCCCC(=O)C,saturated alkanone,C7H14O,110-43-0,8051,PubChem,,32.4,0,-1.0318,1.06461124,29.9531,22.457102,0,0,22,8,14,0,7,0,1,0,0,0,0,0,0,0,1280.041744,1227.247947,1382.165159,1110.286345,871.245024,674.488295,477.731566,127.119888,9.144576,3616.181511,4450.143542,5558.086517,5261.104989,4194.768219,3187.969874,2181.171529,1120.963057,279.7536999,160.193824,154.923828,281.542892,350.83678,299.84916,236.96426,174.07936,111.43008,60.466176,26.39008467,33.66236034,45.56728387,45.44269842,37.48454303,28.46301417,19.44148531,10.95324725,4.001516144,3661.858907,3057.825133,6158.531007,7977.410827,7052.408754,5573.453599,4094.498444,2583.794029,1664.258868,82.77777778,51.25,82.33333333,106.5833333,79.33333333,67.16666667,57.5,39,9,58.18371564,58.44037843,35.44013228,23.13096552,20.74392914,20.43903924,19.90548192,8.4746592,1.016064,164.3718869,211.9115972,142.5150389,109.6063539,99.87543379,96.6051477,90.88214705,74.73087045,31.08374443,7.281537455,7.377325143,7.219048513,7.309099583,7.139265714,7.180735152,7.253306667,7.428672,6.718464,1.199549303,1.60296954,1.168391894,0.946722884,0.89248912,0.862515581,0.810061888,0.730216483,0.444612905,166.4481321,145.6107206,157.9110515,166.1960589,167.9144941,168.8925333,170.6041018,172.2529352,184.917652,3.762626263,2.44047619,2.111111111,2.220486111,1.888888889,2.035353535,2.395833333,2.6,1,0.130042668,-0.042913628,0.007138899,-0.034234336,9.40E-04,0.002579621,0.017319699,-0.022255787,0.00640401,687.3645011,-46.5210804,-72.60977875,-221.8907881,16.29493174,13.910715,11.52649826,-201.8222386,157.4294903,1066.90404,-96.33311012,-292.1129994,-212.2517092,10.42921586,10.11149942,9.793782976,-205.448519,242.3598194,1.085692364,-0.003217983,0.098766083,-0.341654612,-0.022351603,-0.041345455,-0.060339306,-0.257861157,0.085157851,4.734521863,-0.459492824,-1.753681784,-0.487085141,-0.038301025,-0.039038854,-0.039776682,-0.502546511,0.95266189,26.12162368,-2.544279046,-10.26560835,-1.972169627,-0.371318606,-0.383189342,-0.395060079,-2.098475248,4.969288461,34.27272727,-0.449724518,4.243801653,-10.31473829,-1.79338843,-2.621212121,-0.20661157,-8.110192837,2.115702479,0.00591103,-0.002043506,1.83E-04,-7.13E-04,2.24E-05,7.82E-05,7.22E-04,-0.001483719,7.12E-04,31.24384096,-2.215289543,-1.861789199,-4.622724752,0.387974565,0.421536818,0.480270761,-13.4548159,17.49216559,48.49563818,-4.587290958,-7.490076907,-4.421910608,0.248314663,0.306409073,0.408074291,-13.69656794,26.92886883,0.049349653,-1.53E-04,0.002532464,-0.007117804,-5.32E-04,-0.001252893,-0.002514138,-0.017190744,0.009461983,0.215205539,-0.021880611,-0.0449662,-0.010147607,-9.12E-04,-0.001182996,-0.001657362,-0.033503101,0.105851321,1.187346531,-0.121156145,-0.263220727,-0.041086867,-0.008840919,-0.011611798,-0.016460837,-0.13989835,0.552143162,1.55785124,-0.021415453,0.108815427,-0.214890381,-0.042699725,-0.07943067,-0.008608815,-0.540679522,0.235078053,-0.345710643,0.030967306,-0.120658377,0.00378706,0.013224487,0.122086012,-0.25100854,0.120377765,-0.07090324,-0.059588999,-0.147956353,0.012417633,0.013491837,0.015371694,-0.430638983,0.559859641,-0.094591826,-0.154448466,-0.091181615,0.00512035,0.006318281,0.00841466,-0.282428863,0.555284348,-0.003105134,0.051316747,-0.144232107,-0.010783886,-0.025388072,-0.050945399,-0.34834579,0.191733536,-0.101673083,-0.208945363,-0.047153094,-0.00423748,-0.00549705,-0.007701297,-0.155679546,0.491861508,-0.102039415,-0.22168821,-0.034603939,-0.007445947,-0.00977962,-0.013863549,-0.117824364,0.465022761,-0.01374679,0.069849691,-0.137940245,-0.027409372,-0.050987327,-0.005526083,-0.347067492,0.15089891,1.102779345,0.747219064,1.270405729,0.78093421,0.925698295,1.111637904,1.843255234,0.005021832,1.244484016,1.05569469,1.133228943,0.873779649,0.88791681,0.912656843,1.426332617,0,1.493214171,1.267214504,1.015778816,0.891219282,0.865720914,0.82109877,1.05049221,0,0.532603912,0.53828678,1.397899097,0.796636348,0.986099193,1.317659171,2.273277111,0,1.567567372,1.344764791,0.96903397,0.892000022,0.864727245,0.816999884,0.900908704,0,1.571413854,1.354213064,0.962198666,0.890357717,0.866817451,0.825621983,0.879035732,0,0.537356322,0.500790655,1.398858864,0.803603006,1.01193634,1.290354222,2.328381963,0,38.48821105,19.36910553,31.20270986,38.67571105,4.834463881,19.36910554,0.25,0.128049772,0.016006221,-1.644269,36.54814632,4.56851829,2.878904375,38.49003605,19.36965081,31.20343009,38.67698523,4.834623154,19.36965083,0.249265579,0.128025474,0.016003184,-1.644420813,36.54564474,4.568205593,2.878849616,40.11561809,19.8583118,31.86308443,39.81637223,4.977046528,19.85831181,-0.398994478,0.105249425,0.013156178,-1.801137812,34.67768391,4.334710489,2.836877092,38.49195144,19.37022312,31.20418603,38.67832254,4.834790318,19.37022313,0.2484948,0.127999971,0.015999996,-1.644580193,36.54302033,4.567877541,2.878792165,41.85664283,20.38717428,32.61453841,41.04492213,5.130615266,20.38717429,-1.082294264,0.077953027,0.009744128,-2.041319081,33.38002212,4.172502765,2.806366065,38.67943632,19.42628525,31.27841353,38.80928696,4.85116087,19.42628527,0.173134186,0.125489424,0.015686178,-1.660427033,36.29137075,4.536421343,2.873263994,42.92529297,21.49724112,35.34947233,43.25068979,5.406336224,21.49724113,0.650793651,0.1682138,0.021026725,-1.42601559,42.15105476,5.268881845,2.993007767,0,11.89,15.99491639,-0.29950256,0.191097625,4.075949464,7.093772518,7,21,20,20,6,1,1,0,0,1,16.262898,3.543250725,3.253617839,2.743805569,2.201568877,1.964764008,1.510071644,1.167641386,0.083923071,1.884290479,1.663007589,1.405119386,1.081734443,0.7571706,0.553700828,0.204129328,0.083923071,3.522074052,3.239123791,2.771689043,2.258112233,1.871002897,1.533883657,1.274054557,0.270913902,1.837219222,1.621836125,1.317653186,0.972265271,0.647656414,0.424408863,0.308618633,0.270913902,3.659704981,3.410222095,2.993203798,2.554162556,2.252125409,1.966074992,1.756205763,0.943918427,1.653511117,1.395480873,1.02018324,0.600266577,0.208482349,0.072909525,0.20748838,0.943918427,3.531321568,3.247923952,2.801694323,2.305977951,1.882879937,1.55899181,1.348229181,0.399277246,1.811046793,1.59574924,1.261298847,0.900812078,0.595470171,0.378459371,0.258279227,0.399277246,3.704241438,3.464434174,3.088259503,2.682400736,2.345414943,2.097092476,1.946549764,1.207644823,1.606161072,1.341521304,0.928881965,0.476036759,0.090131028,0.197118509,0.372475596,1.207644823,4.90316099,3.438808139,3.042051582,2.814291152,2.366652171,1.825746756,1.499424853,0.6,1.758709722,1.414728787,1.091705729,0.765167683,0.393068111,0.149974021,0.483218408,0.6,0,0,0,1,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.144337567,0,0,0,0.288675135,0.204124145,0.144337567,0.102062073,0.072168784,0.051031036,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,5.736675415,3.264784317,2.159121884,1.132392159,0.623945479,0.301031036,0.176031036,0,0.717084427,0.46639776,0.308445983,0.226478432,0.15598637,0.100343679,0.088015518,0,11.50759373,21.54552076,20.42745098,20.72,13.07012096,169.3523066,0.523072442,0.979341853,0.928520499,0.941818182,0.594096407,7.697832118,2.1557,34.823,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,2,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.31856859,0.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.450093537,0.802777778,0,0,0,0,0,0,0,0,0,0,3.787496221,0,4.242592593,0,0,0,0,0,0,0.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.31856859,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.31856859,0.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.232454649,0.401388889,0,0,0,0,0,0,0,0,0,0,1.648472222,0,0.771666667,0,0,0,0,0,0,0.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.31856859,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.31856859,0.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.139023998,0,1.201666667,0,0,0,0,0,0,0.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.31856859,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.66666667,2.333333333,0.533864796,10.31856859,0.232454649,0.318009259,3.636288691,1.348657407,3.318568594,6.915185185,1.348657407,3.318568594,6.915185185,3.83333,0.47917,0,0.02083,0.4803,0.79583,0.42308,0.4803,0.79583,0.05723,0,-0.05723,0,0.60209,0.1122,0,0.34783,0.13043,0,5.25,0.65625,3.75,0.46875,1.5,0.1875,-2.25,-0.28125,0,0,6.51929,0.81491,8.40872,1.88944,0.23618,3.02767,0.37846,3.77005,0.74238,0.0928,0.14395,0.01799,0.14395,0.01799,0,7.01,1,1,1,1,0,0,0.857142857,1.143320102,1.820438145,3.140361164,3.447401505,3.226730915,3.240160728,25.15304225,40.0496392,69.0879456,75.8428331,70.98808013,71.28353601,0.256382472,0.408222011,0.704206597,0.773058497,0.72357448,0.726586033,3.316111517,2.638993473,1.319070455,1.012030114,1.232700704,1.219270891,0.256382472,0.408222011,0.704206597,0.773058497,0.72357448,0.726586033,9.968326343,18.09374286,20.8004582,19.73343726,19.51103992,19.67219767,29.50877429,19.35137167,17.52471905,18.40974974,19.03382426,14.4107264,8,5.142857143,7.2,8,1,7,2.12,1.1106,0.166666667,2.955737938,0.894427191,0,3.965406457,1.807204007,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,3.887,7,5,4,3,2,0,0,0,0,36,2.197224577,2.302585093,1.945910149,1.791759469,1.609437912,1.386294361,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,17.07,135.7821191,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,114.1044651,5.186566594,14.66595917,1.833244896,2.373458674,2.373458674,0,79,5,2.145,28,1.233333333,2.128002271,2.889690752,3.608751467,4.938009559,5.961721737,7.291460153,8.255697228,0,0,82.62061363,84.81333219,76.9323435,93.25974354,113.9745592,133.1158753,63.19201738,8.388316748,0,0,286.274389,326.7476734,344.0010185,418.8097446,518.4318869,587.4762091,560.8890361,256.6179827,0,0,9.129617831,15.45046199,21.17921893,25.84480125,35.52604756,43.22279348,54.02572322,55.46560462,0,0,2.113145198,2.620301546,2.895162439,3.607671405,4.529154009,5.143273543,5.479572975,3.670589526,0,0,177.4424221,332.3208193,476.8418876,592.7456637,825.436735,1005.507883,1248.204637,1526.624147,0,0,3.069384921,4.722156399,6.530114634,6.974510315,10.20268718,14.38874849,18.68399538,8.255697228,0,0,0.449709286,0.578803732,0.656732485,0.803298333,1.030066045,1.202906758,1.321995093,0.845383396,0,0,393.8661834,207.246668,12.89390315,178.2411308,-93.78789555,-19.29706751,215.6250526,301.0345636,32.19097066,0.688448082,0.362251387,0.02253756,0.311551918,-0.163934096,-0.033729804,225.3337243,118.5673346,7.376696299,101.9730546,-53.65674103,-11.03999347,0.246250531,0.569150925,5.47518271,21.50904066,534.3158608,37.7914534,0.933943419,0.066056581,506.3771674,22.50282577,7.970606549,641.9956726,25.33763352,8.626686854,806.9568368,28.40698571,9.310009021,2.247883265,2.247883265,791.3023655,738.9006555,72.4603393,1.070918478,10.92048938,10.19731156,4.38167396,4.466158665,8.870202886,0.986092199,3.917822784,5.778255412,2.25187352,18.93229316,6.810190792,0.161427262,3.908353839,9.710023548,10.41317777,0.530634648,3.334841376,3.678362393,5.006159901,1.515761749,3.019771037,0.079465769,0.371059075,1.19E-17,7.34E-56,8.75E-116,2.01E-197,8.92E-301,0,0,0,0,0,0,0,0,0.345289482,5.778031215,0.152968713,5.363040119,0.137185079,0.003043962,0.630944674,0.381355181,4.179301107,0.025683825,0.028730175,1.238745885,0.335663268,0.93913404,0.04400544,5.64E-04,0.002613399,8.37E-20,5.17E-58,6.16E-118,1.42E-199,6.28E-303,0,0,0,0,0,0,0,0,1.067258616,5.777928829,0.517528773,6.142146546,0.62148376,0.016290493,1.269969927,1.450269226,4.413163224,0.095330436,0.254421752,1.256312142,0.841520166,1.056835239,0.28004972,0.005844402,0.027233637,8.72E-19,5.39E-57,6.42E-117,1.48E-198,6.54E-302,0,0,0,0,0,0,0,0,3.70321596,5.778289294,2.100785387,17.97213993,6.340825812,0.145520081,3.722261728,8.997610035,10.77094491,0.487897399,2.973547033,3.898808684,5.253090023,1.480460728,2.706217363,0.070805803,0.330606956,1.06E-17,6.54E-56,7.80E-116,1.79E-197,7.95E-301,0,0,0,0,0,0,0,0,1.565367409,5.777907687,0.786752537,7.204226786,1.15127264,0.030913056,1.718833358,2.392968042,4.755334646,0.153065112,0.542715719,1.384840796,1.146406576,1.137633663,0.552355025,0.012683267,0.059155098,1.89E-18,1.17E-56,1.40E-116,3.21E-198,1.42E-301,0,0,0,0,0,0,0,0,4.731361413,5.77842984,2.836942321,25.1450796,9.889402568,0.230127229,4.669844672,13.29377758,13.10355059,0.702297305,4.852966851,4.627778621,7.008658784,1.646465868,4.329890646,0.115878039,0.541154789,1.73E-17,1.07E-55,1.28E-115,2.93E-197,1.30E-300,0,0,0,0,0,0,0,0,2.465203933,5.413144136,1.191257498,13.48735761,4.071786819,0.065325156,2.59278055,5.0824883,13.26421586,0.242455962,1.211598907,6.560487732,6.355701569,1.729488715,1.193586117,0.028629665,0.133581267,4.28E-18,2.64E-56,3.15E-116,7.24E-198,3.21E-301,0,0,0,0,0,0,0,0,7.625333006,0.78791567,0.452338377,0.86010469,0.088873491,0.547581639,0.508165617,0.545435764,8.865587053,9.813754616,21.39704463,0.790157035,1.60118302,6.564592811,0.59303533,0.087846848,0.906026564,0.081849062,0.412030362,0.258342614,0.020571649,7.245474989,4.521810536,12.10927642,0.859039846,0.690944626,6.964289877,0.591647918,0.234278744,0.893978985,0.075947557,0.457169943,0.287821503,0.146312865,7.790216539,5.890603225,14.64614368,0.840968478,0.891304311,7.575274368,0.81362674,0.435977007,0.858399886,0.092196938,0.540430376,0.54476577,0.50669184,8.824878114,9.820813784,21.33281254,0.787599829,1.591887986,7.173709287,0.603136736,0.304005241,0.88774178,0.074637772,0.48461874,0.298752882,0.246364927,8.080851264,6.690929555,16.08712869,0.83161267,1.029736549,7.704904495,0.823603037,0.478484324,0.855435934,0.091440411,0.559072135,0.555141014,0.610312364,9.006991856,10.4265399,22.46988933,0.783153902,1.724525512,7.602142026,0.820139342,0.435662308,0.858228761,0.092588006,0.544296877,0.553757631,0.505960619,8.857943676,9.904086298,21.4783042,0.787343141,1.604015127 +UMLYSI0309,L,2-methyl-1-butanol,CCC(C)CO,saturated alcohols,C5H12O,137-32-6,8723,PubChem,,32.3,0,-0.552,0.304704,24.6224,17.603516,0,0,18,6,12,0,5,0,1,0,0,0,0,0,0,0,989.481374,918.525433,1003.316377,934.258844,450.512373,80.809344,3.048192,0,0,2706.980219,3340.91352,4245.280188,4180.758316,2826.048557,982.4523969,93.25123329,0,0,131.675864,127.961068,226.768108,280.631936,284.28822,169.900416,20.155392,0,0,19.92305886,25.2786954,34.93808817,36.61778345,27.38151406,11.61010636,1.333838715,0,0,3038.434891,2530.053054,4960.191286,6428.552833,6768.210873,4407.028418,554.7529561,0,0,62.27777778,44,63.25,79.33333333,86,40,3,0,0,54.97118744,54.03090782,32.36504442,23.95535497,11.55159931,3.367056,1.016064,0,0,150.3877899,196.5243247,136.9445222,107.1989312,72.4627835,40.93551654,31.08374443,0,0,7.315325778,7.527121647,7.315100258,7.195690667,7.289441538,7.079184,6.718464,0,0,1.106836603,1.486982082,1.127035102,0.938917524,0.702090104,0.483754432,0.444612905,0,0,168.8019384,148.8266503,160.0061705,164.834688,173.5438685,183.6261841,184.917652,0,0,3.459876543,2.588235294,2.040322581,2.034188034,2.205128205,1.666666667,1,0,0,0.225457497,-0.103409787,-0.034193375,0.045593812,-0.032759205,-0.002442912,0.014482718,0,0,557.7912351,-66.11605249,-126.6202505,-82.79789952,-194.0616483,145.3220847,45.37814848,0,0,815.6252945,-79.2452518,-166.6805924,-305.0017385,-248.7965671,326.3349971,65.57650547,0,0,1.059967111,-0.095141383,-0.136576247,0.062409481,-0.300422963,-0.091328593,0.031076148,0,0,3.576219349,-0.265723223,-0.593319447,-1.81533496,-0.921828003,1.56239879,0.245697168,0,0,19.7674611,-1.32649563,-3.008159357,-10.62450125,-4.797903742,8.612081632,1.261247796,0,0,23.75308642,-3.492112483,-3.531550069,2.852880658,-6.085390947,-2.263374486,0.643004115,0,0,0.012525417,-0.006082929,-0.001103012,0.001169072,-8.40E-04,-1.02E-04,0.004827573,0,0,30.98840195,-3.889179558,-4.084524209,-2.123023065,-4.9759397,6.055086864,15.12604949,0,0,45.31251636,-4.6614854,-5.376793304,-7.820557398,-6.379399157,13.59729155,21.85883516,0,0,0.058887062,-0.005596552,-0.004405685,0.001600243,-0.007703153,-0.003805358,0.010358716,0,0,0.198678853,-0.015630778,-0.019139337,-0.04654705,-0.023636615,0.06509995,0.081899056,0,0,1.098192283,-0.078029155,-0.097037399,-0.272423109,-0.123023173,0.358836735,0.420415932,0,0,1.319615912,-0.205418381,-0.11392097,0.073150786,-0.156035665,-0.09430727,0.214334705,0,0,-0.485646814,-0.088061909,0.093335985,-0.067062011,-0.008126516,0.385422138,0,0,-0.12550436,-0.131808159,-0.068510247,-0.16057426,0.195398487,0.488119701,0,0,-0.102874123,-0.118660223,-0.172591549,-0.140786689,0.30007805,0.482401705,0,0,-0.095038736,-0.074815847,0.027174783,-0.130812315,-0.064621292,0.175908183,0,0,-0.078673586,-0.096333036,-0.234282862,-0.118968955,0.327664211,0.412218285,0,0,-0.071052361,-0.088361028,-0.248065037,-0.112023345,0.326752191,0.382825429,0,0,-0.155665281,-0.086328885,0.055433392,-0.118243243,-0.071465696,0.162422037,0,0,1.392431884,0.814188952,0.606755894,1.208326111,1.22322347,1.314412987,0,0,1.409452341,1.180958298,0.999029065,1.060226075,0.504943854,0,0,0,1.590373361,1.278605214,1.183707409,0.902749303,0.206461644,0,0,0,1.043987109,0.894935497,0.663607818,1.39244601,1.138463311,0,0,0,1.655711089,1.29519174,1.258320093,0.848847484,0.105101334,0,0,0,1.661705788,1.290419824,1.267833872,0.844902563,0.09796942,0,0,0,1.117983368,0.900392328,0.637194147,1.385514953,1.133186071,0,0,0,20.42144412,10.33572206,15.33447173,20.58811079,3.431351798,10.33580441,0.25,0.05377834,0.008963057,-1.753730694,40.79701439,6.799502398,2.225165341,20.42455101,10.33690829,15.33626064,20.59072806,3.43178801,10.33699053,0.249265579,0.053629002,0.008938167,-1.755399164,40.87913894,6.813189824,2.22637193,23.2019196,11.40146256,17.16348679,22.93592328,3.82265388,11.40148825,-0.398994478,0.091194792,0.015199132,-1.436854491,31.15610434,5.192684057,2.063406115,20.42781182,10.33815331,15.33813873,20.59347502,3.432245837,10.33823543,0.2484948,0.053472209,0.008912035,-1.757155933,40.96582575,6.827637625,2.227642921,26.18332907,12.55051741,19.59850408,25.46179957,4.243633261,12.55052528,-1.082294264,0.221825479,0.036970913,-0.903518602,22.86600661,3.811001101,1.877790828,20.7471864,10.46016029,15.52488159,20.86260919,3.477101532,10.46023167,0.173134186,0.037843982,0.00630733,-1.964569982,52.93489933,8.822483221,2.381437706,22.72545624,11.65439479,17.76876849,23.11434513,3.852390855,11.6544192,0.583333333,0.087958075,0.014659679,-1.458536997,29.48917229,4.914862049,2.030413893,0,11.99640057,15.99794223,-0.421324353,0.07210154,4.103494365,7.248503548,5,17,17,17,5,0,0,0,0,0,13.118484,3.471723689,2.834632539,2.5294604,1.82378712,1.424303836,0.921632112,0.083923071,0.083923071,1.866258151,1.467845174,1.209118027,0.847546296,0.438418931,0.34078572,0.083923071,0.083923071,3.478726552,2.832870999,2.490222729,1.866841115,1.331912292,1.027718587,0.270913902,0.270913902,1.816339236,1.388860976,1.162910992,0.730056194,0.396858421,0.192983939,0.270913902,0.270913902,3.617665031,3.074522638,2.814120617,2.243694996,1.88118357,1.548432746,0.943918427,0.943918427,1.624716425,1.083895585,0.778128918,0.28274838,0.202829277,0.381213777,0.943918427,0.943918427,3.494438301,2.860289454,2.505450713,1.919599497,1.339431966,1.103526305,0.399277246,0.399277246,1.785523447,1.342435559,1.128672282,0.652583071,0.351223883,0.086395,0.399277246,0.399277246,3.672344468,3.162049086,2.905770795,2.391676936,2.018877764,1.756960954,1.207644823,1.207644823,1.571462813,0.993498047,0.682740047,0.135392335,0.347202254,0.583465996,1.207644823,1.207644823,4.284953577,3.406284876,2.936877555,2.257240966,1.906659395,1.261551996,0.6,0.6,1.731582625,1.157449701,0.830182617,0.473801012,0.028700672,0.310746918,0.6,0.6,0,0,0,0,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.288675135,0,0,0,0.577350269,0.288675135,0,0.417774579,0.129099445,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.438777427,2.417181397,1.695994192,1.008597056,0.129099445,0,0,0,0.739796238,0.483436279,0.339198838,0.252149264,0.129099445,0,0,0,8.965765927,17.6576839,16.70196078,16.96,10.27156647,139.5813569,0.498098107,0.980982439,0.92788671,0.942222222,0.570642582,7.754519827,1.0248,26.5408,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,29,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.673888889,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0.673888889,0,0,0,0,0,0,0,0,0,0,0,0,0,1.526111111,0,0,0,0,0,0,0,0,0,0,0,4.098101852,0,1.409722222,0,0,0,0.490740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.673888889,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0.673888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,2.027777778,0,0.329861111,0,0,0,0.490740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.673888889,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0.673888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.070324074,0,1.079861111,0,0,0,0.490740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.334768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,2.388888889,0.673888889,8.334768519,0.24,0.329861111,2.658430926,1.170138889,2.334768519,4.865740741,1.170138889,2.334768519,4.865740741,2.83333,0.47222,0,0.02778,0.47593,0.82778,0.42,0.47593,0.75238,0.05593,0,-0.05593,0.0754,0.57047,0.14382,0,0.47059,0.17647,0,2.75,0.45833,2.75,0.45833,0,0,-2.75,-0.45833,0,0,4.94416,0.82403,5.73058,0.78641,0.13107,2.47948,0.41325,2.80805,0.32857,0.05476,0.10595,0.01766,0.10595,0.01766,0,5.01,1,1,1,1,1,1,1,1.134969975,1.94471679,3.086048612,3.419381946,3.187719446,2.261069445,20.42945954,35.00490222,55.54887502,61.54887502,57.37895002,40.69925001,0.272179949,0.46636733,0.74007293,0.820010419,0.764454863,0.542232641,3.034955027,2.225208211,1.083876389,0.750543056,0.982205556,1.908855556,0.27767102,0.475776017,0.755003466,0.836553647,0.77987729,0.553171866,10.25843817,16.9429018,19.31451736,19.65045903,16.87050903,8.297183763,21.93297423,15.25754858,13.84528056,13.26031806,11.87034306,7.468755558,6,3.2,3,6,0,4,1.9,0.8718,0.333333333,2.149139864,1.414213562,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,2.891,5,4,1,0,0,0,0,0,0,21,1.791759469,1.791759469,1.609437912,0.693147181,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,20.23,103.8266085,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,88.088815,4.893823056,10.6758508,1.779308466,2.363633046,2.363633046,0,31,4,1.148,20,1.216411765,2.109021302,2.856594138,3.436359309,4.006630398,4.960986366,0,0,0,0,77.15821427,76.95587386,76.27426937,47.31327196,16.08853946,5.040679651,0,0,0,0,263.9099389,311.6444121,323.2859168,263.6819024,173.9600493,154.2060323,0,0,0,0,9.180431628,15.49152274,20.63503194,25.21071558,28.79523554,33.3302083,0,0,0,0,1.941447524,2.511694225,2.772975027,2.481428848,1.969230812,2.205718559,0,0,0,0,178.6200885,333.7215899,468.1611717,593.5189241,734.9451584,917.3739505,0,0,0,0,3.206490196,4.434420925,6.017551921,8.029406999,7.468677151,4.960986366,0,0,0,0,0.425350094,0.558441024,0.635819942,0.609652265,0.503746827,0.508005004,0,0,0,0,331.4687864,196.6101078,15.02025734,154.5529168,-91.67278151,-20.67483587,176.9158696,288.2828893,35.69509321,0.682004084,0.404529482,0.030904499,0.317995916,-0.188618699,-0.042538915,161.1010241,95.55677945,7.300171053,75.11607185,-44.5549614,-10.04841894,0.353598743,0.666672116,9.738798943,23.03009678,423.9348903,62.08681292,0.872255061,0.127744939,346.0061755,18.60124124,7.020390718,470.5945044,21.69319028,7.778256915,546.6933284,23.38147404,8.176760136,1.520310739,1.191875336,292.5927814,251.4462291,70.78830304,1.163639568,4.13334928,3.552087255,3.516450868,3.220194404,5.518792456,0.713807231,3.782243497,4.176847,3.713842936,16.51783602,3.82524224,5.438922403,4.90382512,4.42848023,1.55293459,2.036328689,1.76E-10,3.08E-42,1.04E-95,6.80E-171,8.56E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337322539,4.3037216,0.321879012,4.596564695,0.574521621,0.197835109,0.439729822,0.194191792,0.137913826,0.216562637,1.96E-11,3.44E-43,1.16E-96,7.60E-172,9.57E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.969469194,4.067497395,0.791484781,5.810206695,0.777549611,0.761833824,0.99928795,0.73050349,0.175444477,0.381618839,3.40E-11,5.96E-43,2.02E-96,1.32E-171,1.66E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.793087398,4.303382321,3.98655898,15.73934036,3.485747676,4.947842486,5.207628179,4.084079479,1.425774686,2.51910812,2.21E-10,3.87E-42,1.31E-95,8.54E-171,1.07E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.361918399,3.977740142,1.038224502,6.930095158,1.053660818,1.299606291,1.309984805,1.188231935,0.278317277,0.387045622,3.37E-11,5.91E-43,2.00E-96,1.30E-171,1.64E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.748236975,4.257081772,5.007934802,21.29567464,5.326994214,7.481461153,6.698074678,5.957566792,2.240944991,2.973853707,2.56E-10,4.50E-42,1.52E-95,9.93E-171,1.25E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.48411676,4.540845075,4.551021925,11.46571093,2.089555018,2.647268175,5.979101788,2.153369902,0.938562642,4.208160782,3.79E-10,6.65E-42,2.25E-95,1.47E-170,1.85E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.705780101,1.203785571,0.57112542,0.603875618,0.268660692,0.514743588,0.462403348,0.47042555,4.480691092,5.49003138,11.83098022,0.405813427,1.447572485,2.822338094,0.63992194,0.168854467,0.777264967,0.176232928,0.56161486,0.12936823,0.038865691,3.631114501,2.39069414,6.326772652,0.665897451,0.729848781,2.497576933,0.910143285,0.339285625,0.666552719,0.242898816,0.438497838,0.263183461,0.163212644,3.747005843,3.429343359,7.947597297,0.499829079,0.864893943,2.788648375,1.168970833,0.553133273,0.618222433,0.259152068,0.546582281,0.435786282,0.439267722,4.51075248,5.448939477,11.76282269,0.42733365,1.421636285,2.429587745,1.025368957,0.416550757,0.627556003,0.264850053,0.41509989,0.33477441,0.248381728,3.87150746,3.930388683,8.839617325,0.441334004,0.998256028,2.759740596,1.232707678,0.596946414,0.601329976,0.268599186,0.535469195,0.485043939,0.514291315,4.589394688,5.785231102,12.40540969,0.401994964,1.534804449,2.791359157,1.172391567,0.554407801,0.617809035,0.259484381,0.547656059,0.438281808,0.44111612,4.518158525,5.47010026,11.80259487,0.426713552,1.427053987 +UMLYSI0310,L,3-methyl-1-butanol,CC(C)CCO,saturated alcohols,C5H12O,123-51-3,31260,PubChem,,31.9,0,-0.1638,0.02683044,24.4562,17.603516,0,0,18,6,12,0,5,0,1,0,0,0,0,0,0,0,989.481374,918.525433,1003.316377,769.312871,559.034538,134.18496,6.096384,0,0,2706.980219,3340.91352,4245.280188,4043.695316,2726.669026,1125.643694,186.5024666,0,0,131.675864,127.961068,226.768108,280.468388,275.794488,158.402304,40.310784,0,0,19.92305886,25.2786954,34.93808817,36.48214284,26.57775802,11.2156643,2.667677429,0,0,3038.434891,2530.053054,4960.191286,6428.598677,6799.160259,3821.280232,1109.505912,0,0,62.27777778,43.91666667,64.66666667,74.66666667,73.33333333,53,6,0,0,54.97118744,54.03090782,32.36504442,19.72597105,14.33421892,6.38976,1.016064,0,0,150.3877899,196.5243247,136.9445222,103.6844953,69.9145904,53.60208067,31.08374443,0,0,7.315325778,7.527121647,7.315100258,7.191497128,7.071653538,7.542966857,6.718464,0,0,1.106836603,1.486982082,1.127035102,0.93543956,0.681480975,0.534079252,0.444612905,0,0,168.8019384,148.8266503,160.0061705,164.8358635,174.3374425,181.9657253,184.917652,0,0,3.459876543,2.583333333,2.086021505,1.914529915,1.88034188,2.523809524,1,0,0,0.225203329,-0.101462182,-0.025577948,-0.004255898,0.049056005,-0.059646296,0.029284654,0,0,557.7912351,-66.11605249,-126.6202505,-247.7438725,188.5874278,-117.7591669,90.75629696,0,0,815.6252945,-79.2452518,-166.6805924,-442.064738,86.54347906,62.48144501,131.1530109,0,0,1.059967111,-0.095141383,-0.136576247,-0.101138519,0.203062815,-0.462342519,0.062152296,0,0,3.576219349,-0.265723223,-0.593319447,-1.950975569,-0.383008841,0.913523069,0.491394336,0,0,19.7674611,-1.32649563,-3.008159357,-10.57865728,-3.365846977,5.872933101,2.522495592,0,0,23.75308642,-3.575445816,-2.114883402,-4.252057613,7.093621399,-10.31378601,1.28600823,0,0,0.012511296,-0.005968364,-8.25E-04,-1.09E-04,0.001257846,-0.0028403,0.004880776,0,0,30.98840195,-3.889179558,-4.084524209,-6.352406988,4.835575072,-5.607579374,15.12604949,0,0,45.31251636,-4.6614854,-5.376793304,-11.33499328,2.219063566,2.975306905,21.85883516,0,0,0.058887062,-0.005596552,-0.004405685,-0.002593295,0.005206739,-0.02201631,0.010358716,0,0,0.198678853,-0.015630778,-0.019139337,-0.050025015,-0.00982074,0.043501099,0.081899056,0,0,1.098192283,-0.078029155,-0.097037399,-0.271247623,-0.086303769,0.279663481,0.420415932,0,0,1.319615912,-0.210320342,-0.068222045,-0.109027118,0.181887728,-0.491132667,0.214334705,0,0,-0.477038,-0.065948011,-0.008722165,0.100536849,-0.227018831,0.390109521,0,0,-0.12550436,-0.131808159,-0.204993049,0.156044674,-0.180957359,0.488119701,0,0,-0.102874123,-0.118660223,-0.250151486,0.04897242,0.065661922,0.482401705,0,0,-0.095038736,-0.074815847,-0.044038457,0.088419063,-0.373873475,0.175908183,0,0,-0.078673586,-0.096333036,-0.25178832,-0.049430221,0.218951831,0.412218285,0,0,-0.071052361,-0.088361028,-0.246994654,-0.07858712,0.254658028,0.382825429,0,0,-0.159379968,-0.051698411,-0.082620342,0.13783384,-0.372178497,0.162422037,0,0,1.381647489,0.797523556,0.703918411,0.574403292,2.241022284,1.312124678,0,0,1.409452341,1.180958298,1.127929489,0.620590972,1.15415738,0,0,0,1.590373361,1.278605214,1.25695846,0.702444932,0.47191233,0,0,0,1.043987109,0.894935497,0.730864767,0.624596254,2.602201853,0,0,0,1.655711089,1.29519174,1.274853026,0.767636808,0.240231621,0,0,0,1.661705788,1.290419824,1.266822954,0.785624606,0.223930104,0,0,0,1.121491684,0.867685769,0.775337838,0.574494243,2.59013959,0,0,0,21.03843826,10.64421913,16.53344786,21.20510493,3.534184155,10.6442802,0.25,0.03423935,0.005706558,-2.024627828,18.44631192,3.074385319,1.748918673,21.04159492,10.64543025,16.53541862,21.20777197,3.534628661,10.64549123,0.249265579,0.03436061,0.005726768,-2.022506657,18.45212233,3.075353722,1.749107637,23.85581025,11.72840789,18.45418449,23.58981393,3.931635656,11.72842654,-0.398994478,0.142916857,0.023819476,-1.167295342,54.25438409,9.042397349,2.396210281,21.04490793,10.64670137,16.53748742,21.21057113,3.535095189,10.64676226,0.2484948,0.034487888,0.005747981,-2.020288247,18.45823249,3.076372081,1.749306286,26.86533089,12.89151831,20.84496718,26.14380138,4.35730023,12.89152393,-1.082294264,0.242945972,0.040490995,-0.848949719,23.07833029,3.846388381,1.883336457,21.36927278,10.77120348,16.74213892,21.48469557,3.580782595,10.77125626,0.173134186,0.047002079,0.00783368,-1.834538061,19.12118786,3.186864644,1.77047822,23.14655849,11.86494591,18.91500556,23.53544738,3.922574563,11.8649656,0.583333333,0.010495254,0.001749209,-2.734099248,15.42880713,2.571467855,1.641741813,0,11.99640057,15.99794223,-0.421693145,0.069896371,3.94567306,7.130879209,5,17,17,17,5,0,0,0,0,0,13.118484,3.462418327,2.91648782,2.333552793,2.040933935,1.28574234,0.964708207,0.083923071,0.083923071,1.86924803,1.439292845,1.249629723,0.837367765,0.404664916,0.368072746,0.083923071,0.083923071,3.47524016,2.870216801,2.405454588,1.962147931,1.237459261,1.076289878,0.270913902,0.270913902,1.816145112,1.398211226,1.134540686,0.777757418,0.342099114,0.217772547,0.270913902,0.270913902,3.612996741,3.123387144,2.704236987,2.368380831,1.787154642,1.581745336,0.943918427,0.943918427,1.624704692,1.088905786,0.76031856,0.315183995,0.262408825,0.34297587,0.943918427,0.943918427,3.492727995,2.880745109,2.457539916,1.976935215,1.263019408,1.150329754,0.399277246,0.399277246,1.783140158,1.373248962,1.058262671,0.739514765,0.280283032,0.110944814,0.399277246,0.399277246,3.670016378,3.191117386,2.838982085,2.473156797,1.944506285,1.788259369,1.207644823,1.207644823,1.569734502,1.015337418,0.631337262,0.198876004,0.422028567,0.54247333,1.207644823,1.207644823,4.283658108,3.45023646,2.657839583,2.62349744,1.744937136,1.290879504,0.6,0.6,1.729725471,1.152692448,0.857839583,0.441422377,0.020290283,0.310341364,0.6,0.6,0,0,0,0,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.288675135,0,0.288675135,0.129099445,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.438777427,2.379176595,1.906128782,0.706449714,0.25819889,0,0,0,0.739796238,0.475835319,0.381225756,0.235483238,0.129099445,0,0,0,8.965765927,17.6576839,16.70196078,16.96,10.27156647,139.5813569,0.498098107,0.980982439,0.92788671,0.942222222,0.570642582,7.754519827,1.0248,26.5408,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.696388889,0,8.236666667,0,0,0,0,0,0,0,0,0,0,0.696388889,0,0,0,0,0,0,0,0,0,0,0,0,0,1.503611111,0,0,0,0,0,0,0,0,0,0,0,4.186944444,0,1.261574074,0,0,0,0.648148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.236666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.696388889,0,8.236666667,0,0,0,0,0,0,0,0,0,0,0.696388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,2.093472222,0,0.331018519,0,0,0,0.648148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.236666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.696388889,0,8.236666667,0,0,0,0,0,0,0,0,0,0,0.696388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.093472222,0,0.930555556,0,0,0,0.648148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.236666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,2.388888889,0.696388889,8.236666667,0.24,0.331018519,2.692301667,1.168981481,2.236666667,4.847222222,1.168981481,2.236666667,4.847222222,2.83333,0.47222,0,0.02778,0.47593,0.82778,0.42,0.47593,0.75238,0.05593,0,-0.05593,0.0754,0.57047,0.14382,0,0.47059,0.17647,0,2.75,0.45833,2.75,0.45833,0,0,-2.75,-0.45833,0,0,4.94044,0.82341,5.69868,0.75825,0.12637,2.43179,0.4053,2.77005,0.33826,0.05638,0.14395,0.02399,0.14395,0.02399,0,5.01,1,1,1,1,1,1,1,1.134969975,1.94471679,2.974937501,2.974937501,2.743275001,1.927736112,20.42945954,35.00490222,53.54887502,53.54887502,49.37895002,34.69925001,0.272179949,0.46636733,0.7134271,0.7134271,0.657871544,0.462295152,3.034955027,2.225208211,1.1949875,1.1949875,1.42665,2.24218889,0.27767102,0.475776017,0.727820072,0.727820072,0.671143716,0.471621685,10.25843817,16.9429018,17.98118402,17.98118402,15.20123402,9.286364046,21.93297423,15.25754858,15.29189723,15.29189723,13.90192223,10.41754445,6,3.2,5.333333333,6,0,4,1.9,0.8718,0.5,1.632993162,2,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,2.891,5,3,2,0,0,0,0,0,0,21,1.791759469,1.791759469,1.386294361,1.098612289,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,20.23,103.8266085,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,88.088815,4.893823056,10.67917749,1.779862916,2.371664406,2.371664406,0,32,3,1.359,20,1.216411765,2.109021302,2.857296108,3.420592759,4.249390484,4.823337804,0,0,0,0,77.15821427,76.95587386,64.2249547,60.82442208,29.96915978,4.900819903,0,0,0,0,263.9099389,311.6444121,312.7481436,261.4279808,238.410252,149.9273996,0,0,0,0,9.180431628,15.49152274,20.61183636,24.44651994,32.52611578,32.4054214,0,0,0,0,1.941447524,2.511694225,2.759889535,2.432717428,2.301180115,2.144518232,0,0,0,0,178.6200885,333.7215899,468.4416594,592.1892674,772.5042007,891.9203017,0,0,0,0,3.19902451,4.551395188,5.628851457,7.16787034,11.59077722,4.823337804,0,0,0,0,0.425350094,0.558441024,0.62477506,0.591276659,0.635776371,0.493909791,0,0,0,0,343.9261176,204.0354472,16.43490903,136.526589,-80.99490625,-20.44013767,207.3995285,285.0303534,36.8750467,0.715837611,0.424673322,0.034207132,0.284162389,-0.168580393,-0.042543496,165.240234,98.02938284,7.896196525,65.59456923,-38.91422193,-9.820519466,0.35351441,0.666992915,12.21556297,25.09266047,408.277487,72.1752196,0.849776641,0.150223359,346.0061755,18.60124124,7.020390718,470.5945044,21.69319028,7.778256915,533.4844305,23.09728188,8.110368425,1.393126442,1.175486662,319.2048819,273.797044,72.97376279,1.16584488,4.374241778,3.751992957,3.637226539,3.22022378,5.518795453,0.713792528,3.782243497,4.176856481,3.910829914,12.90352341,3.546398532,3.481182611,3.7073513,5.270687559,2.255741749,2.036368089,1.76E-10,3.08E-42,1.04E-95,6.80E-171,8.56E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337322539,4.303721667,0.323266403,4.507786976,0.523527563,0.168093041,0.326121674,0.235148514,0.180013865,0.216562928,1.96E-11,3.44E-43,1.16E-96,7.60E-172,9.57E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.969469194,4.067498091,0.8059425,5.440670747,0.734822073,0.50436654,0.704701095,0.866995938,0.269677551,0.381621746,3.40E-11,5.96E-43,2.02E-96,1.32E-171,1.66E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.793087398,4.303390768,4.162070825,12.36072097,3.2178042,3.335794976,3.751678193,4.888419544,2.181438163,2.519143272,2.21E-10,3.87E-42,1.31E-95,8.54E-171,1.07E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.361918399,3.977741653,1.069628611,6.271838234,1.000341038,0.793728935,0.970474878,1.401573278,0.401825701,0.387051908,3.37E-11,5.91E-43,2.00E-96,1.30E-171,1.64E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.748236975,4.257095599,5.295221807,16.09625915,4.926011656,4.846417588,5.074454609,7.106839781,3.266668991,2.973911168,2.56E-10,4.50E-42,1.52E-95,9.93E-171,1.25E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.48411676,4.512394242,4.595642426,9.722707044,1.652774087,2.499830292,3.537707717,2.753926161,1.829983411,4.208175198,3.79E-10,6.65E-42,2.25E-95,1.47E-170,1.85E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.800096399,1.284945341,0.552908154,0.603735802,0.277050285,0.531915669,0.509643496,0.410262206,4.637949894,5.856623709,12.48392101,0.405603703,1.451821371,3.100166461,0.672287146,0.15671345,0.789013655,0.171101696,0.652141255,0.140431633,0.032423057,3.929167057,2.675396283,6.931185837,0.683520482,0.824995945,2.625163578,0.960614226,0.327016505,0.670917858,0.245505935,0.467441484,0.284261968,0.142778247,3.912794308,3.694378003,8.431832551,0.506376788,0.8944817,2.913668466,1.247984359,0.533799821,0.620529837,0.265785741,0.575926829,0.482070027,0.381949116,4.695452647,5.857702208,12.49416453,0.430794756,1.439945972,2.508159296,1.084548083,0.404556555,0.627469023,0.27132261,0.427005334,0.360213978,0.219077431,3.997263935,4.173672679,9.271419186,0.441203535,1.006296743,2.858985779,1.317464099,0.577555986,0.601384571,0.277127151,0.554531264,0.536468595,0.447728124,4.754005864,6.178744751,13.10817942,0.402076857,1.538727983,2.913848976,1.253555545,0.534858774,0.619669464,0.266585571,0.575995126,0.486315941,0.383435906,4.702263294,5.881644412,12.53757113,0.429504196,1.445746974 +UMLYSI0311,L,propyl propionate,CCCOC(=O)CC,saturated esters,C6H12O2,106-36-5,7803,PubChem,,31.9,0,-0.2301,0.05294601,30.2621,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1500.364299,1291.274054,881.092176,662.295527,323.876617,84.835296,9.144576,3346.887898,3979.09551,4674.696811,4194.73967,3350.352309,2814.964941,2127.761402,1061.424631,279.7536999,152.568096,145.6753,259.36554,290.71532,219.854856,156.342692,174.31498,123.32736,60.466176,23.35516286,28.53615172,35.91568508,32.39301749,24.93743114,23.12765931,19.97477611,12.01662072,4.001516144,3350.680532,2804.677982,5510.452524,6467.975596,4598.994639,3354.441775,4062.749184,3137.747111,1664.258868,90.77777778,54.5,96.66666667,104.0833333,90.41666667,57.5,52,24,9,69.4856748,68.35965826,44.12836174,33.98089616,32.63304356,31.53788224,13.49485904,4.713072,1.016064,167.3443949,209.4260795,137.4910827,110.3878861,124.0871226,134.0459496,88.65672507,58.96803508,31.08374443,7.6284048,7.667121053,7.628398235,7.650403158,8.142772444,7.444890095,7.263124167,6.85152,6.718464,1.167758143,1.501902722,1.056343679,0.852447829,0.923608561,1.10131711,0.832282338,0.66759004,0.444612905,167.5340266,147.6146306,162.0721331,170.2098841,170.3331348,159.7353226,169.281216,174.3192839,184.917652,4.538888889,2.868421053,2.843137255,2.739035088,3.348765432,2.738095238,2.166666667,1.333333333,1,0.264839816,-0.164650605,0.056342232,0.03082464,-0.074878342,0.024879623,-0.010596761,7.75E-04,0.004884533,715.056216,-13.739645,42.068427,107.20871,-399.8448,-222.797209,-175.617191,97.8336,207.36,931.2646053,-148.2416011,-210.4695091,155.6184863,-45.66464826,-326.5158435,-194.5244772,40.28781217,263.877478,1.9334688,0.00145024,0.75963024,-0.45673792,-1.38549888,-0.18580864,-0.18604736,0.27724608,0.20903184,4.097118945,-1.072153629,-1.377869305,0.209542408,1.2135673,-1.265536476,-0.533446343,-0.112758311,0.890094883,23.01673804,-6.548761719,-7.89227958,0.041250829,8.46854314,-6.599412002,-2.375207629,-1.005980191,4.403478133,37.42222222,-0.978888889,9.882222222,-2.791111111,-22.12,-3.26,-6.473333333,3.42,3.61,0.013241991,-0.008665821,0.001657124,8.11E-04,-0.002773272,0.001184744,-4.42E-04,4.30E-05,5.43E-04,35.7528108,-0.723139211,1.237306676,2.821281842,-14.80906667,-10.6093909,-7.317382958,5.4352,23.04,46.56323026,-7.80218953,-6.190279679,4.095223323,-1.691283269,-15.5483735,-8.10518655,2.238211787,29.31971978,0.09667344,7.63E-05,0.022342066,-0.012019419,-0.051314773,-0.00884803,-0.007751973,0.01540256,0.02322576,0.204855947,-0.056429138,-0.040525568,0.005514274,0.044946937,-0.060263642,-0.022226931,-0.006264351,0.098899431,1.150836902,-0.344671669,-0.23212587,0.001085548,0.313649746,-0.314257714,-0.098966985,-0.055887788,0.489275348,1.871111111,-0.051520468,0.290653595,-0.073450292,-0.819259259,-0.155238095,-0.269722222,0.19,0.401111111,-0.654419825,0.125141642,0.061257763,-0.209430135,0.089468719,-0.033343303,0.003250487,0.040985216,-0.02022608,0.034607256,0.07891077,-0.414207061,-0.296742848,-0.204665949,0.152021614,0.644424857,-0.167561174,-0.132943519,0.087949726,-0.036322292,-0.333919563,-0.174068391,0.048068224,0.629675382,7.90E-04,0.231108626,-0.124330105,-0.53080529,-0.091524937,-0.080187209,0.159325664,0.240249649,-0.275457653,-0.197824707,0.026917812,0.219407528,-0.2941757,-0.108500296,-0.030579296,0.482775496,-0.299496539,-0.201701796,9.43E-04,0.272540571,-0.273068854,-0.085995665,-0.048562736,0.425147427,-0.027534692,0.155337432,-0.039254907,-0.437846397,-0.082965728,-0.144150831,0.101543943,0.214370546,1.636833786,0.935501047,1.248999603,1.916433501,0.740913882,0.44997342,0.084934489,6.51E-06,1.04922138,0.951186959,0.916940897,1.581649555,1.213523365,1.043395713,0.536147629,0,1.505949528,1.1618184,0.775760288,0.870173324,1.410129906,1.063309999,0.765521928,0,0.713221749,0.738250888,1.33207218,2.433621011,0.787261783,0.741253535,0.038842451,0,1.749688453,1.254801494,0.804688894,0.600549101,1.420710688,0.977631222,0.777866173,0,1.787392882,1.264308948,0.835341802,0.586472644,1.398662693,0.940199224,0.752143512,0,0.585659145,0.528459899,1.080574525,2.350554236,1.240085256,1.200545576,0.084619952,0,33.23037315,16.86518658,25.99552329,33.60537315,4.200671644,16.86518675,0.5,0.106985463,0.013373183,-1.78804985,78.27761766,9.784702208,3.488209367,33.24379958,16.87116537,26.00602307,33.61769795,4.202212244,16.87116554,0.498531158,0.107007707,0.013375963,-1.787883537,78.37799299,9.797249124,3.489234549,45.19488177,22.19844641,35.55205346,44.59639005,5.574548757,22.19844641,-0.797988956,0.115002146,0.014375268,-1.730243595,50.86526469,6.358158086,3.143344214,33.25789104,16.87744032,26.01704373,33.63063324,4.203829155,16.87744049,0.4969896,0.107030994,0.013378874,-1.787709455,78.48411341,9.810514176,3.490316982,57.93069754,27.8830545,45.93211808,56.30725614,7.038407018,27.8830545,-2.164588529,0.115151389,0.014393924,-1.729206071,38.18177641,4.772722051,2.913886676,34.63731343,17.4917909,27.09965248,34.89701471,4.362126838,17.49179099,0.346268372,0.109046971,0.013630871,-1.77278125,94.65451665,11.83181458,3.640186877,31.45319536,16.01220168,24.50872724,32.04010012,4.005012515,16.01220219,1.173809524,0.137479974,0.017184997,-1.587421615,44.87956924,5.609946156,3.043186131,0,11.89,15.99591765,-0.315662777,0.261205411,3.957526932,6.149609059,7,19,18,18,6,1,1,0,0,1,15.992484,3.526102454,3.198663601,2.696841646,2.343243471,1.575716613,1.516689788,0.951740464,0.083923071,1.776829489,1.68894892,1.213506117,0.986808726,0.661571496,0.39765999,0.083923071,0.083923071,3.414057362,3.214194984,2.623867286,2.313699899,1.611450262,1.498683304,0.603726862,0.270913902,1.762128028,1.627736684,1.189833269,0.946128174,0.543451609,0.426234478,0.270913902,0.270913902,3.61214249,3.383114924,2.915831396,2.612357842,2.033468056,1.941038244,1.226324855,0.943918427,1.533378903,1.396746134,0.838354299,0.586588035,0.052280042,0.063987305,0.943918427,0.943918427,3.399104446,3.23476551,2.61440183,2.332522994,1.657341853,1.543955933,0.459589089,0.399277246,1.764290338,1.587437946,1.176152668,0.911916943,0.468542947,0.376475543,0.399277246,0.399277246,3.63233169,3.452719156,2.977809092,2.702748102,2.186125573,2.089001605,1.208936353,1.207644823,1.498045528,1.330369917,0.773524525,0.496322911,0.099621279,0.20596629,1.207644823,1.207644823,4.85785292,3.435589191,3.158014058,2.86966914,2.115085153,1.887323398,1.473873547,0.590163934,1.591982309,1.466297388,0.88425539,0.605670957,0.283907857,0.182247477,0.590163934,0.590163934,0,0,1,0,0,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.49279928,0.348461713,0.288675135,0.100592232,0.071129449,0.058925565,6.405777394,3.808060412,2.655648531,1.747400241,0.756710003,0.49279928,0.144337567,0,0.800722174,0.54400863,0.379378362,0.291233373,0.189177501,0.164266427,0.144337567,0,5.437816924,2.964690378,1.574023571,0.75584899,0.317959596,0.186004234,0.072168784,0,0.679727116,0.423527197,0.22486051,0.125974832,0.079489899,0.062001411,0.072168784,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.3496,31.541,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,63,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,1,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.04986111,-0.104768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.120763889,0.5125,0,0,0,0,0,0,0,0,0,0,3.764814815,0,1.956759259,0,0,0,0,0,0,-0.104768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.34847222,4.701388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.701388889,-0.104768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.307222222,0.5125,0,0,0,0,0,0,0,0,0,0,1.789675926,0,0.486111111,0,0,0,0,0,0,-0.104768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.34847222,4.701388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.34847222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,1.975138889,0,0.908472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.34847222,4.701388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.66666667,2.583333333,0.592361111,10.34847222,0.243055556,-0.104768519,2.584330324,1.771435185,3.348472222,9.099722222,1.771435185,3.348472222,9.099722222,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.36364,0.13636,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,5.66937,0.70867,8.4771,2.80773,0.35097,2.75049,0.34381,3.80805,1.05757,0.1322,0.10595,0.01324,0.10595,0.01324,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,2.070950594,3.246439345,3.446439345,3.146439345,2.592598565,25.90923688,41.41901189,64.92878689,68.92878689,62.92878689,51.8519713,0.299741647,0.479172848,0.751155335,0.797430977,0.728017513,0.599870823,3.026466251,2.2509775,1.07548875,0.87548875,1.17548875,1.72932953,0.299741647,0.479172848,0.751155335,0.797430977,0.728017513,0.599870823,12.01211119,21.71746765,24.00137214,23.10371965,21.70215464,17.49043109,29.38046565,17.93632218,16.35670797,17.0865958,19.00852389,18.65677979,8,5.142857143,5,8,3,3,1.9,1.0284,0.166666667,2.481111325,0.707106781,0,1.310370697,1.650963624,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,3.358,7,6,4,3,1,0,0,0,0,36,2.197224577,2.302585093,2.197224577,1.791759469,1.609437912,0.693147181,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.666666667,0.25,0.16,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.041666667,0.04,0.018518519,0,0,0,0,0,0.409708995,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,26.3,127.2763612,4,3.36729583,4.007333185,4.691347882,5.361292166,6.052089169,6.72982407,7.422373701,8.102586425,8.795582217,69.52972465,2.708050201,0,3.761200116,0,4.990432587,0,6.289715571,0,7.623153068,7.934871566,116.0837296,5.804186481,14.66013744,1.832517181,5.289109862,5.289109862,0,76,6,1.275,28,1.230631579,2.107807713,2.841551924,3.663482284,4.852470811,5.643017371,6.878032303,7.882390926,0,0,94.58963281,102.2743027,108.0260544,137.8308891,168.0299629,87.31931889,34.84939864,8.009013654,0,0,279.0386343,308.7664969,336.3660987,503.6448065,693.9203148,544.3952309,423.9327122,245.0142251,0,0,9.500427541,16.20206116,21.85029173,29.83332473,36.11897196,40.97575785,47.21253054,52.95755967,0,0,1.953218228,2.324635115,2.534711538,3.687495792,5.621101327,5.017906039,4.738431202,3.504612727,0,0,180.0610686,338.5764618,480.6639613,615.5235807,767.4286009,943.1131883,1191.999636,1457.593222,0,0,3.629951754,6.29250008,8.022232598,11.94487251,13.27459095,12.22502644,9.39005262,7.882390926,0,0,0.448387105,0.564687741,0.649400184,0.936256938,1.276712234,1.14134421,1.049964503,0.807156831,0,0,366.472379,268.4420445,12.80366273,191.5609519,-140.318934,-19.65397482,174.9114271,408.7609785,32.45763755,0.656721308,0.481050198,0.022944262,0.343278692,-0.251452604,-0.035220073,204.5038023,149.7996082,7.14487056,106.897396,-78.30264214,-10.96757304,0.356554626,0.430888072,2.287485079,5.522041393,506.4503266,51.58300424,0.907562862,0.092437138,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,973.6336184,31.20310271,9.911328115,2.260923624,2.255664415,662.8906729,609.6937025,69.92636659,1.08725196,9.479838652,8.719081689,4.060691396,4.338526665,8.546762524,0.969968882,3.360032699,4.293028381,3.256573751,12.06639019,3.6083939,2.877231269,3.502478417,7.740801644,1.564112652,3.227079333,3.793724658,4.070196797,2.115686388,0.602430254,0.160181088,1.810488092,2.40E-09,6.89E-40,3.82E-92,4.09E-166,8.44E-262,0,0,0,0,0,0,0,0,0,0.298491782,4.443993512,0.297335694,4.977749293,0.090991958,1.829935722,1.409833669,0.513343255,0.097234345,0.287926992,1.973261221,0.171313978,0.193859185,0.004283504,0.013440921,0.012751416,1.69E-11,4.85E-42,2.69E-94,2.88E-168,5.94E-264,0,0,0,0,0,0,0,0,0,0.91615042,4.162911006,0.673926335,4.635844762,0.318458448,1.752895991,1.122480782,1.245353204,0.168707064,0.659293772,2.336396075,0.665217789,0.544907141,0.044270459,0.043390229,0.132879583,1.76E-10,5.06E-41,2.81E-93,3.00E-167,6.19E-263,0,0,0,0,0,0,0,0,0,3.176711882,4.44359216,3.563548284,12.88665078,3.277427473,3.297830019,3.619925635,7.613309656,1.424075595,3.567366771,3.679284131,3.724693157,1.983444884,0.536765208,0.151196526,1.613112294,2.14E-09,6.14E-40,3.41E-92,3.64E-166,7.52E-262,0,0,0,0,0,0,0,0,0,1.342655413,4.056109269,0.8588815,4.765236966,0.611011099,1.6828441,1.16096664,1.822025099,0.287020003,0.829695475,2.588188878,1.093919891,0.798134957,0.096099681,0.063950526,0.28863221,3.82E-10,1.10E-40,6.09E-93,6.52E-167,1.35E-262,0,0,0,0,0,0,0,0,0,4.057749124,4.38850086,4.454236085,15.6323436,5.232338481,3.53164797,4.562874169,10.79993554,2.247239752,4.43927022,4.220844817,5.47072375,2.621881439,0.878538974,0.193448278,2.640426729,3.50E-09,1.01E-39,5.58E-92,5.97E-166,1.23E-261,0,0,0,0,0,0,0,0,0,2.093644735,4.437090455,2.866179259,15.56602877,1.679132809,4.861554725,4.686904009,6.41208389,0.842332097,4.988017893,3.024649353,1.740746592,1.398488117,0.209902719,0.111571141,0.630581179,8.35E-10,2.40E-40,1.33E-92,1.42E-166,2.94E-262,0,0,0,0,0,0,0,0,0,7.752483773,0.756529691,0.414987615,0.868722864,0.08477472,0.612939713,0.498758559,0.499981437,8.92400108,9.39611936,20.75401623,0.803084296,1.611679709,5.217959769,0.539528095,0.072022644,0.895093981,0.092551183,0.278519838,0.247046731,0.015059888,5.829510507,3.22990539,9.262176629,0.842640972,0.540626457,6.653014888,0.557754498,0.210524282,0.896476435,0.075155967,0.451443453,0.271345402,0.128673169,7.421293668,5.228791027,13.43128746,0.844714652,0.851462024,7.455937665,0.764942856,0.391942828,0.865678694,0.088814414,0.56692681,0.510426535,0.445994038,8.61282335,8.925481418,19.77369827,0.79851804,1.523347383,7.273995942,0.585353745,0.281990891,0.89346415,0.071898938,0.539599385,0.298765446,0.230862698,8.141340577,6.474125781,15.81614431,0.840196226,1.069227529,7.818830936,0.788101695,0.437491478,0.864491851,0.087136747,0.623476676,0.541242653,0.555677491,9.044424109,9.927493596,21.66775503,0.796737776,1.720396819,7.537486333,0.774544113,0.395511045,0.865627381,0.088950953,0.579397405,0.523365568,0.454151592,8.707541491,9.125615512,20.14219623,0.798441071,1.556914565 +UMLYSI0312,L,1-butoxy-2-propanol,CCCCOCC(C)O,other multi-oxygen compounds,C7H16O2,5131-66-8,21210,PubChem,,31.7,0,-1.115,1.243225,34.6266,24.592688,0,0,25,9,16,0,7,0,2,0,0,0,0,0,0,0,1538.041873,1495.545884,1690.756888,1464.567318,1084.568949,875.176224,696.670343,506.009998,144.307296,3894.739777,4828.835891,6035.360157,5664.916747,4522.0245,3847.929306,3355.275618,2534.97974,1391.118395,186.982468,184.03988,334.308352,408.532296,352.889508,253.162056,237.762596,215.18848,152.140032,27.92251448,35.20045264,47.01735949,47.12987218,38.73184226,32.19131082,29.80087698,23.44702555,14.28985608,4217.145497,3576.024258,7111.222144,9114.799219,8258.587258,5669.252725,5509.86339,5140.414147,3661.504836,83.02777778,62,103.4166667,133.5,87.91666667,71.66666667,63.33333333,60,43,61.52167492,62.31441183,38.42629291,27.121617,22.59518644,25.74047718,21.11122252,16.86699993,6.871776,155.7895911,201.2014955,137.1672763,104.9058657,94.20884376,113.1743914,101.6750187,84.49932466,66.24373311,7.47929872,7.668328333,7.597917091,7.565412889,7.35186475,7.445942824,7.204927152,7.172949333,7.244763429,1.116900579,1.466685527,1.068576352,0.872775411,0.80691338,0.946803259,0.903056878,0.781567518,0.680469337,168.6858199,149.0010108,161.6186851,168.7925781,172.0539012,166.7427272,166.9655573,171.3471382,174.3573732,3.321111111,2.583333333,2.350378788,2.472222222,1.831597222,2.107843137,1.919191919,2,2.047619048,0.385815278,-0.143676524,-0.110418422,0.110318241,-0.048934735,-0.035203226,0.025011681,0.018973359,-0.028797237,838.9365446,-35.45538861,-181.4740767,-181.5267135,117.2330407,-175.8583554,-75.65979452,30.88087699,-137.4409878,1134.674563,-131.6202799,-328.4658947,-266.1839898,276.6413142,-110.8574808,-151.1483905,-5.244931784,-142.3513169,2.01158784,-0.093433126,-0.404237798,0.227397786,-0.296994733,-0.418163622,-0.030496909,0.014919552,-0.201638906,4.95409783,-0.870588818,-1.699884739,-0.76341099,1.206691679,-0.041428296,-0.721974359,-0.227790436,-0.37983129,27.60529256,-5.272340698,-9.825317642,-3.260855057,6.344754931,0.393223313,-4.011592616,-1.595760909,-1.693412864,28.76,-4.260711111,-1.936488889,-0.239377778,0.577466667,-4.809155556,-2.0532,1.361333333,-5.7084,0.015432611,-0.005986522,-0.00250951,0.00204293,-0.001019474,-0.001035389,7.58E-04,6.32E-04,-0.001371297,33.55746179,-1.477307859,-4.124410835,-3.361605806,2.442355015,-5.172304571,-2.292721046,1.029362566,-6.544808942,45.38698252,-5.484178328,-7.46513397,-4.929333145,5.763360712,-3.26051414,-4.580254258,-0.174831059,-6.778634138,0.080463514,-0.003893047,-0.009187223,0.00421107,-0.00618739,-0.01229893,-9.24E-04,4.97E-04,-0.009601853,0.198163913,-0.036274534,-0.038633744,-0.014137241,0.02513941,-0.001218479,-0.021878011,-0.007593015,-0.018087204,1.104211702,-0.219680862,-0.223302674,-0.060386205,0.132182394,0.011565392,-0.121563413,-0.05319203,-0.080638708,1.1504,-0.17752963,-0.044011111,-0.004432922,0.012030556,-0.141445752,-0.062218182,0.045377778,-0.271828571,-0.387913734,-0.162610823,0.132377494,-0.066059699,-0.06709098,0.049112215,0.040981095,-0.088857097,-0.04402323,-0.122905924,-0.100174615,0.07278128,-0.154132771,-0.068322243,0.030674625,-0.195032896,-0.120831525,-0.164477424,-0.108606761,0.126982681,-0.07183809,-0.100915593,-0.003852009,-0.149351945,-0.048382761,-0.114178741,0.052335151,-0.076896844,-0.152851019,-0.011485314,0.00618067,-0.119331759,-0.183053178,-0.194958524,-0.071341145,0.126861695,-0.006148846,-0.110403607,-0.038316838,-0.091273956,-0.198948138,-0.202228135,-0.054687162,0.119707475,0.01047389,-0.110090676,-0.048171949,-0.073028304,-0.154319914,-0.038257225,-0.003853374,0.010457715,-0.122953539,-0.054083955,0.039445217,-0.236290483,1.342854707,1.24416285,1.082476281,1.098756422,1.047880559,0.63722634,0.675040434,1.031171865,1.244690472,1.212461352,1.126020567,0.844217867,1.141534559,0.936375266,0.799118554,1.036449788,1.570364139,1.269736921,1.026045288,0.720715432,1.050835023,1.0745979,0.864606438,0.919701678,0.983545417,1.27919463,1.231310331,1.081307988,1.188173231,0.61682182,0.659640496,1.008313342,1.753590442,1.334433074,0.977039924,0.691025162,0.992286874,1.092203326,0.876383881,0.818925266,1.787357076,1.3539205,0.969695689,0.694823546,0.979745273,1.081433357,0.872714979,0.792178157,1.105895534,0.968306149,1.277065197,0.560674548,1.153562955,0.975681713,0.978210478,1.62924697,46.85317619,23.67658809,37.33643044,47.24206508,5.249118342,23.67658809,0.5,0.106214672,0.01180163,-2.018063721,44.38789239,4.931988044,3.413670065,46.86983974,23.68418545,37.3494221,47.25758619,5.25084291,23.68418545,0.498531158,0.106085822,0.011787314,-2.019156182,44.38113638,4.931237375,3.41353307,61.68956829,30.44578967,49.11192392,61.06891021,6.785434468,30.44578967,-0.797988956,0.025428684,0.002825409,-3.304689705,48.67691701,5.408546334,3.496684441,46.88732861,23.69215911,37.36305802,47.27387608,5.252652898,23.69215911,0.4969896,0.105950717,0.011772302,-2.0203031,44.37410034,4.930455593,3.413390376,77.46497919,37.65019533,61.87009044,75.78141033,8.420156704,37.65019533,-2.164588529,0.019757598,0.002195289,-3.531795428,87.98647666,9.776275185,4.029464816,48.59911482,24.4726916,38.70151428,48.86843466,5.429826074,24.4726916,0.346268372,0.093330559,0.010370062,-2.134446926,43.92060429,4.880067144,3.4041452,44.87242059,22.99460032,36.29324608,45.74102729,5.082336366,22.99460032,1.116780045,0.144301265,0.016033474,-1.742266843,56.55693523,6.284103914,3.631723051,0,11.99632006,15.9982593,-0.415125845,0.09990591,4.359480759,6.570590366,8,24,24,24,8,0,0,0,0,0,19.407312,3.475980168,3.286708627,2.833791156,2.370830053,2.098716786,1.828819584,1.292592294,0.980066931,1.828641587,1.710482429,1.400739988,1.160750858,0.878807049,0.668746677,0.576290142,0.29401228,3.426866593,3.283835179,2.796236611,2.398115776,1.976181554,1.792277225,1.374763311,0.994596194,1.794889952,1.675972313,1.342675627,1.070763522,0.786264197,0.677116824,0.429202545,0.166128498,3.607949174,3.454845882,3.049794517,2.683823964,2.396879496,2.228948861,1.835855107,1.541110863,1.575046932,1.445342731,1.02984832,0.708322153,0.343391007,0.144638923,0.094180907,0.431261423,3.431610972,3.29454948,2.810852866,2.432951609,2.006400322,1.777821936,1.450402035,1.048486953,1.78043895,1.647436016,1.30714898,1.008605868,0.761522193,0.632345652,0.329977257,0.07087977,3.649884874,3.514231568,3.125393387,2.798489918,2.484786368,2.355197844,2.024915041,1.733784849,1.52516875,1.389974653,0.949232984,0.597489604,0.215553739,0.043336853,0.281072666,0.62441539,4.380719591,3.594843033,3.276189878,2.963780732,2.630826583,2.131869552,1.66619801,1.427339744,1.653170056,1.483677854,1.094673745,0.814741245,0.512070089,0.166092433,0.107523588,0.346951047,0,0,0,0,0,4,3,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.182574186,0,0,0,0.288675135,0.204124145,0.144337567,0.074535599,0.052704628,0.0372678,7.112884175,4.27005561,3.243182156,1.635027805,0.979362553,0.567513903,0.306186218,0.204124145,0.790320464,0.533756951,0.40539777,0.272504634,0.195872511,0.141878476,0.102062073,0.102062073,6.26123928,3.5282545,2.277489714,1.001281921,0.500288731,0.281588771,0.144203444,0.085277879,0.695693253,0.441031812,0.284686214,0.16688032,0.100057746,0.070397193,0.048067815,0.042638939,12.76422064,24.76402039,23.50196078,23.88,14.34891497,193.792388,0.510568826,0.990560816,0.940078431,0.9552,0.573956599,7.751695521,1.1839,37.4078,26.27222476,41.81111968,52.54444952,5.838272169,26.27222476,0.068226739,0.007580749,-2.41642685,44.11417306,4.901574784,3.408103004,87,1,0,2,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.623966837,0,13.81216081,0,0,3.173160238,0,0,0,0,0,0,0,0.623966837,0,0,0,0,0,0,0,0,0,0,0,0,0,2.863255385,0,0,0,0,0,0,0,0,0,0,0,3.844920635,0,3.493977702,0,0,0,-0.317725813,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.726697846,0,5.085462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.623966837,0,5.085462963,0,0,3.173160238,0,0,0,0,0,0,0,0.623966837,0,0,0,0,0,0,0,0,0,0,0,0,0,0.255625,0,0,0,0,0,0,0,0,0,0,0,1.728120748,0,0.472222222,0,0,0,-0.317725813,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.726697846,0,5.085462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.623966837,0,8.726697846,0,0,3.173160238,0,0,0,0,0,0,0,0.623966837,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561111111,0,0,0,0,0,0,0,0,0,0,0,2.116799887,0,1.152588813,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.726697846,0,5.085462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.83333333,2.314814815,0.623966837,8.726697846,0.112777778,-0.317725813,3.210069496,1.651059146,2.726697846,8.857921391,1.651059146,2.726697846,8.857921391,4.16666,0.46296,0,0.03704,0.50533,0.87037,0.42414,0.50533,0.81333,0.0812,0,-0.0812,0.05704,0.53191,0.18238,0,0.32,0.12,0,4.75,0.52778,4.75,0.52778,0,0,-4.75,-0.52778,0,0,7.80434,0.86715,9.8423,2.03796,0.22644,3.47952,0.38661,4.27005,0.79052,0.08784,0.14395,0.01599,0.14395,0.01599,0,8.02,2,2,2,2,1,1,1,1.217796812,2.059721832,3.38346519,3.94346519,3.67326969,3.124889452,30.44492029,51.49304581,84.58662974,98.58662974,91.83174224,78.12223629,0.26223827,0.443536955,0.728589571,0.849179007,0.790995573,0.672908317,3.426059378,2.584134357,1.260391,0.700391,0.9705865,1.518966738,0.265606711,0.449234172,0.73794828,0.860086683,0.801155885,0.681551801,11.24859016,19.29845066,23.27067435,23.83505636,20.59271036,19.49257926,32.85447821,21.39934387,17.49419769,15.67972627,20.21241116,22.98188134,9,6.125,8,9,0,4,2.01,1.2123,0.142857143,2.635866587,0.816496581,0,3.14734519,1.437216448,0,0,0,0,0,0.333333333,0,0,0,0,0,0,0,0.259,0.614,0.621,0.528,0.233,4.177,8,6,5,4,3,2,0,0,0,45,2.197224577,2.197224577,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,3.828641396,1,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.625,8,1,0,4,7,0.75,1.5,0.444444444,0.25,0.16,0.111111111,0.081632653,0,0,0,0,0.1875,0.055555556,0.041666667,0.032,0.027777778,0.027210884,0,0,0,0,0.371710884,26.27222476,41.81111968,52.54444952,5.838272169,26.27222476,0.068226739,0.007580749,-2.41642685,44.11417306,4.901574784,3.408103004,29.46,147.2088045,4.169925001,3.496507561,4.110873864,4.795790546,5.433722004,6.124683391,6.771935556,7.463363046,8.115221973,8.805824813,72.11792275,2.833213344,0,3.891820298,0,5.081404365,0,6.329720906,0,7.609366538,7.940939762,132.1150298,5.28460119,16.66375611,1.851528457,5.280988152,5.280988152,0,114,6,1.121,32,1.227416667,2.112486407,2.839514571,3.523262822,4.803296013,5.608929956,6.764814854,7.779399352,8.670523219,0,88.50551999,90.01393722,88.92446827,99.71945785,140.0784477,138.3892969,127.7763028,56.03414682,8.809806504,0,270.4644226,308.8712805,321.3524747,384.5274568,588.0113322,632.0949513,613.6705901,535.9610707,269.5123278,0,9.473927164,16.14272287,21.59210865,26.24145495,35.90563038,40.54213249,48.66885885,56.41069154,58.25259811,0,1.915212968,2.358735345,2.591372154,3.143346589,4.807683321,5.468604351,5.557437481,5.464586132,3.855026515,0,180.888566,338.3602745,476.7077109,596.5219296,794.4640534,922.5514632,1149.524903,1348.184104,1603.332796,0,3.263118056,5.172164272,7.214606216,6.976601844,10.31121465,11.05200842,13.94822539,16.09245613,8.670523219,0,0.437584963,0.564816129,0.634712494,0.754368307,1.118145926,1.23856074,1.294939136,1.300798892,0.887861578,0,399.645274,381.3055782,15.84823755,178.6606234,-170.461899,-22.83273046,220.9846505,551.7674772,38.68096801,0.691062076,0.659349282,0.027404593,0.308937924,-0.294760783,-0.039482099,231.1172188,220.5112646,9.165129237,103.3204922,-98.57912147,-13.20430268,0.220325295,0.409196202,3.38746254,12.88870825,524.9402684,53.365629,0.907720759,0.092279241,603.4475424,24.56516929,8.450450088,766.7840157,27.6908652,9.152878212,1006.317362,31.72250561,10.02101368,2.569609065,2.569609065,1087.573767,1037.86473,87.1497235,1.047895487,12.4793714,11.90898478,4.685846237,5.411850692,9.824481952,0.81536456,4.897845903,5.890886279,6.373918349,18.40581374,6.82428061,4.289414917,9.001951147,9.868035893,4.894853619,3.482028642,4.66427715,1.646845474,7.695294816,1.120531219,3.315879047,1.595867036,3.857932919,0.193957455,0.091869605,3.04E-20,1.94E-60,2.39E-122,5.68E-206,2.604989697014E-311,0,0,0,0,0,0,0.430947557,6.271838047,0.599151228,4.830042847,0.173271312,0.939229422,1.685653179,0.324684747,0.876517448,0.307267312,2.784827826,0.118772109,0.304931455,0.084391518,0.112107799,1.029544609,0.098307306,0.001366241,6.47E-04,2.14E-22,1.37E-62,1.69E-124,4.00E-208,1.8347155434E-313,0,0,0,0,0,0,1.27170148,5.563142804,1.315856608,5.781855939,0.753833276,1.271751359,2.072288523,1.298047856,0.91690749,0.694602738,3.159989347,0.27125289,1.048224774,0.132261425,0.414300398,1.113872,0.465911484,0.01423585,0.006742709,2.23E-21,1.43E-61,1.76E-123,4.17E-207,1.911915053517E-312,0,0,0,0,0,0,4.846125139,6.270527998,7.187182665,17.8260124,6.281627929,4.037910262,9.303645174,9.070991033,4.726304088,3.862645564,4.546279937,1.675059257,7.26573864,1.025777893,3.127852146,1.550134685,3.486329832,0.172812726,0.081854164,2.71E-20,1.73E-60,2.13E-122,5.07E-206,2.320998920997E-311,0,0,0,0,0,0,1.80735307,5.29384235,1.607772286,6.898106974,1.349041063,1.589841399,2.508003554,2.222158226,1.17428423,0.86874119,3.420045168,0.381010335,1.711252719,0.215075706,0.692586081,1.181045099,0.836973744,0.030921718,0.014646065,4.85E-21,3.10E-61,3.81E-123,9.06E-207,4.15293497899E-312,0,0,0,0,0,0,6.095488444,6.131440409,8.816182501,24.06580515,9.693994295,5.643325295,12.17990775,13.73329082,6.783909772,4.819629543,5.104713884,2.29706665,10.75574346,1.600929527,4.678250419,1.777754891,5.394408096,0.282868122,0.133983185,4.44E-20,2.83E-60,3.49E-122,8.29E-206,3.7991326520663E-311,0,0,0,0,0,0,4.330462195,7.103594018,7.045304622,14.12853502,3.763152229,2.559685464,8.617125067,4.770770912,4.070961894,3.36938728,3.825207905,1.711145743,4.866842316,0.679015691,2.101161686,1.890725752,1.824738065,0.073993328,0.035047142,1.16E-20,7.41E-61,9.13E-123,2.17E-206,9.93772021093E-312,0,0,0,0,0,0,9.477417996,0.809663884,0.539922129,0.875350003,0.074781896,0.583661712,0.444795458,0.436151698,10.82700401,13.22774622,28.19785514,0.813025005,1.464608867,7.823132232,0.549575969,0.142594159,0.918714557,0.064539807,0.40441698,0.194119042,0.028732299,8.51530236,5.493304757,14.62167722,0.878071835,0.627268321,8.763145807,0.594134601,0.306142171,0.906836655,0.061482833,0.500152462,0.247216237,0.143589271,9.663422579,8.071146281,19.32849444,0.860254982,0.89095797,9.302242177,0.82087546,0.517857738,0.874190744,0.077142877,0.56286275,0.454238047,0.390457846,10.64097538,12.87831713,27.47364504,0.811286116,1.407558643,9.157554771,0.626347824,0.385255859,0.90052238,0.061592887,0.544983751,0.280339581,0.237266674,10.16915845,9.5051203,21.8840349,0.85078357,1.062590006,9.521931117,0.842952625,0.565481936,0.87114479,0.077120258,0.589184446,0.478318183,0.47217222,10.93036568,13.88769135,29.35691862,0.806717186,1.539674849,9.405383123,0.827522648,0.52258069,0.874473057,0.076939583,0.575360468,0.460171713,0.395949083,10.75548646,13.13068651,27.95350604,0.811709585,1.431481264 +UMLYSI0313,L,methyl tert-butyl ether,CC(C)(C)OC,saturated ethers,C5H12O,1634-04-4,15413,PubChem,,31.5,0,0.9818,0.96393124,26.8163,17.603516,0,0,18,6,12,0,5,0,1,0,0,0,0,0,0,0,989.481374,962.405397,1323.085987,832.184139,245.361312,27.433728,0,0,0,2706.980219,3252.849106,4253.931486,4418.142325,2904.520194,839.2610996,0,0,0,131.675864,128.1009,233.357476,257.332332,309.515904,181.398528,0,0,0,19.92305886,24.40791172,32.13517761,36.56404238,32.04834601,12.00454843,0,0,0,3038.434891,2524.540298,5119.874993,5262.615061,7748.982463,4992.776605,0,0,0,41.8125,42.875,69.25,83.25,63,27,0,0,0,54.97118744,56.61208218,42.68019313,25.21770118,5.4524736,1.016064,0,0,0,150.3877899,191.344065,137.2235963,133.8831007,64.54489321,31.08374443,0,0,0,7.315325778,7.535347059,7.527660516,7.797949455,6.8781312,6.718464,0,0,0,1.106836603,1.435759513,1.036618632,1.108001284,0.712185467,0.444612905,0,0,0,168.8019384,148.5023705,165.1572579,159.4731837,172.1996103,184.917652,0,0,0,2.322916667,2.522058824,2.233870968,2.522727273,1.4,1,0,0,0,0.166339728,-0.045813285,0.015946129,-0.099354949,0.009294084,0.036758158,0,0,0,557.7912351,-22.23608849,242.3272651,-817.7863397,-89.60379078,408.4033363,0,0,0,815.6252945,-167.3096657,330.0683822,-881.7074284,-279.0524846,590.1885493,0,0,0,1.059967111,0.044690617,-0.055375358,-0.98299837,0.184014222,0.279685333,0,0,0,3.576219349,-1.136506899,0.997370562,-2.377943336,-1.482304513,2.211274512,0,0,0,19.7674611,-6.839252288,4.518491792,-10.54419768,-8.370002535,11.35123016,0,0,0,7.78125,-1.984375,4.796875,-10.078125,-0.421875,3.796875,0,0,0,0.009241096,-0.002694899,5.14E-04,-0.003010756,2.07E-04,0.001361413,0,0,0,30.98840195,-1.308005206,7.817008551,-24.78140423,-1.991195351,15.12604949,0,0,0,45.31251636,-9.841745043,10.64736717,-26.71840692,-6.201166324,21.85883516,0,0,0,0.058887062,0.00262886,-0.001786302,-0.029787829,0.004089205,0.010358716,0,0,0,0.198678853,-0.066853347,0.032173244,-0.072058889,-0.0329401,0.081899056,0,0,0,1.098192283,-0.402308958,0.1457578,-0.319521142,-0.186000056,0.420415932,0,0,0,0.432291667,-0.116727941,0.154737903,-0.305397727,-0.009375,0.140625,0,0,0,-0.29162116,0.055663446,-0.325800754,0.022349644,0.147321621,0,0,0,-0.042209508,0.252255943,-0.799699329,-0.064256148,0.488119701,0,0,0,-0.217197054,0.234976294,-0.589647388,-0.136853276,0.482401705,0,0,0,0.044642401,-0.030334369,-0.50584676,0.069441484,0.175908183,0,0,0,-0.336489496,0.161935926,-0.362690281,-0.165795704,0.412218285,0,0,0,-0.366337448,0.132725208,-0.29095191,-0.169369298,0.382825429,0,0,0,-0.270021262,0.357947921,-0.706462212,-0.021686747,0.325301205,0,0,0,1.285956723,1.514829098,2.408549937,0.082252547,0.036871154,0,0,0,1.330784981,0.890477821,2.107996975,0.737954282,0,0,0,0,1.698345018,0.800042958,1.730182446,0.938461829,0,0,0,0,0.912066035,1.570289988,2.587655245,0.076072549,0,0,0,0,1.899203893,0.8719781,1.534083466,0.956832407,0,0,0,0,1.940586148,0.913822941,1.495989736,0.940308067,0,0,0,0,1.34939759,0.938204431,2.46403797,0.436947791,0,0,0,0,16.91172514,8.580862569,11.78762054,17.07839181,2.846398634,8.581330063,0.25,0.003838733,6.40E-04,-3.33756775,21.65665531,3.609442551,1.845187687,16.91875835,8.584011967,11.79342522,17.08493541,2.847489235,8.584477829,0.249265579,0.004216947,7.03E-04,-3.28118632,21.63421818,3.605703031,1.844565742,23.318411,11.45970826,17.16457585,23.05241468,3.842069114,11.45972987,-0.398994478,0.211750665,0.035291778,-0.931407482,15.90181141,2.650301901,1.659859817,16.9261405,8.587317649,11.79951835,17.0918037,2.84863395,8.587781805,0.2484948,0.00461333,7.69E-04,-3.227283191,21.61080365,3.601800609,1.843916015,30.28757379,14.60263976,23.07114327,29.56604428,4.927674047,14.60264063,-1.082294264,0.309788017,0.051631336,-0.703120219,14.94672586,2.491120976,1.622695362,17.65141588,8.91227503,12.40029231,17.76683867,2.961139778,8.912599334,0.173134186,0.040798626,0.006799771,-1.919464125,19.83107955,3.305179925,1.792350229,20.18188467,10.23665662,13.50250503,20.37617038,3.396028397,10.23674154,0.291428571,0.211748554,0.035291426,-0.931413466,38.33926559,6.389877599,2.187884749,0,11.99640057,15.99794223,-0.405624791,0.064406266,4.644246824,7.483752677,5,17,17,17,5,0,0,0,0,0,15.034484,3.498160768,2.726205246,2.333552793,2.333552793,1.362071814,0.123808562,0.083923071,0.083923071,1.823421164,1.386950112,1.249629723,1.249629723,0.083923071,0.083923071,0.083923071,0.083923071,3.457951457,2.695039281,2.405454588,2.405454588,1.207699235,0.270913902,0.270913902,0.270913902,1.796252663,1.323538065,1.134540686,1.134540686,0.015727663,0.270913902,0.270913902,0.270913902,3.619384144,2.987967816,2.704236987,2.704236987,1.67841505,0.943918427,0.943918427,0.943918427,1.588945246,0.970089952,0.76031856,0.76031856,0.491767824,0.943918427,0.943918427,0.943918427,3.460409266,2.711792533,2.457539916,2.457539916,1.187523867,0.399277246,0.399277246,0.399277246,1.780894749,1.280247214,1.058262671,1.058262671,0.019789691,0.399277246,0.399277246,0.399277246,3.659486668,3.078535715,2.838982085,2.838982085,1.741525609,1.207644823,1.207644823,1.207644823,1.545122573,0.876648441,0.631337262,0.631337262,0.566898741,1.207644823,1.207644823,1.207644823,3.592902624,2.972159793,2.56382137,2.56382137,1.731902462,0.540540541,0.540540541,0.540540541,1.7142944,1.085492235,0.942199748,0.942199748,0.313632567,0.540540541,0.540540541,0.540540541,0,0,0,0,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.112372436,0.204124145,0,0,1.060660172,0.353553391,0,0.612372436,0.204124145,0,5.207106781,2.560660172,2.914213562,1.060660172,0,0,0,0,0.86785113,0.512132034,0.416316223,0.353553391,0,0,0,0,4.90824829,2.112372436,2.316496581,0.612372436,0,0,0,0,0.818041382,0.422474487,0.330928083,0.204124145,0,0,0,0,8.965765927,17.6576839,16.70196078,16.96,10.27156647,139.5813569,0.498098107,0.980982439,0.92788671,0.942222222,0.570642582,7.754519827,1.4313,26.762,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,24,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.9375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.933333333,0,0,0,0,0,0,0,0,0,0,0,7.770833333,0,0,0,0,0,0,0,0,0,0,0,0.041666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.9375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.9375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,1.708333333,0,0,0,0,0,0,0,0,0,0,0,0.041666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.9375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.9375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,2.020833333,0,0,0,0,0,0,0,0,0,0,0,0.041666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.9375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.75,2.125,0.45,4.9375,0.166666667,0.041666667,3.367208333,1.208333333,1.4375,3,1.208333333,1.4375,3,2.83333,0.47222,0,0.02778,0.47593,0.82778,0.42,0.47593,0.82778,0.05593,0,-0.05593,0,0.57047,0.14382,0,0.70588,0,0.17647,3,0.5,3,0.5,0,0,-3,-0.5,0,0,5.23738,0.8729,6.37132,1.13394,0.18899,2.02133,0.33689,2.56066,0.53933,0.08989,0.35334,0.05889,0.35334,0.05889,0,5.01,1,1,1,1,0,0,1,1.134969975,1.515789584,2.056641667,2.056641667,1.593316667,0.930827083,20.42945954,27.28421252,37.01955001,37.01955001,28.67970001,16.7548875,0.272179949,0.363505239,0.493208311,0.493208311,0.3820972,0.223223939,3.034955027,2.654135417,2.113283334,2.113283334,2.576608334,3.239097918,0.27767102,0.370838744,0.503158499,0.503158499,0.389805786,0.227727351,10.25843817,14.82827348,15.37335775,15.37335775,8.887985838,0.938110835,21.93297423,17.06783751,18.18061875,18.18061875,14.93734375,5.79248125,6,1.632653061,5.333333333,6,0,3,1.9,0.8718,2.449489743,0,0,3.363585661,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.347,0.337,0.233,0.033,2.217,7,3,0,0,0,0,0,0,0,21,1.791759469,2.079441542,1.386294361,0,0,0,0,0,0,0,3.091042453,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,5,1,0,2,3,0.5,3,0.666666667,0,0,0,0,0,0,0,0,0.6,0.095238095,0,0,0,0,0,0,0,0,0.695238095,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,9.23,103.8266085,3.584962501,3.218875825,3.80666249,4.634728988,5.252273428,6.084499413,6.708084084,7.5416831,8.166500319,9.000483165,65.41379081,2.397895273,0,3.663561646,0,5.081404365,0,6.532334292,0,7.989899375,8.256088134,88.088815,4.893823056,10.46599026,1.74433171,2.590990258,2.590990258,0,28,3,1.32,24,1.219352941,2.075308676,2.914610362,3.362484633,3.702538656,0,0,0,0,0,79.98075655,101.0710448,74.48416497,18.38296958,3.762016237,0,0,0,0,0,253.901441,312.7127196,393.1641894,217.4016252,115.0887653,0,0,0,0,0,9.273571843,15.75982675,22.6951688,23.12937797,24.87537267,0,0,0,0,0,1.845323016,2.300946041,3.251547329,2.397674706,1.646196467,0,0,0,0,0,179.6707561,338.4194143,464.1011371,578.8777552,684.6647548,0,0,0,0,0,3.181308824,4.942757966,7.358442819,4.711906471,3.702538656,0,0,0,0,0,0.418907206,0.550284475,0.760071087,0.529998871,0.379139958,0,0,0,0,0,335.297177,163.4059149,10.92886714,96.88890183,-47.21846985,-12.19863468,238.4082752,210.6243847,23.12750181,0.775816699,0.378091574,0.025287411,0.224183301,-0.109254953,-0.028225423,144.9107722,70.6217616,4.723304234,41.87403456,-20.40716533,-5.272080089,0.123332179,0.7761616,1.691082984,19.69484324,406.8114104,25.37466841,0.941287631,0.058712369,381.6045052,19.53470003,7.253336587,497.8489382,22.31252873,7.925606906,631.566611,25.13098906,8.579718799,1.261681085,1.168525012,173.1489123,172.0927559,110.1192303,1.006137135,1.572376704,1.562785677,3.255870344,2.999255685,5.048106048,0.683119607,3.346806833,3.6111756,5.451623573,7.980395577,6.353430482,3.901685729,5.489007673,0.066883231,1.670198494,1.83E-09,4.95E-40,2.92E-92,3.50E-166,8.19E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.280874545,3.865067665,0.364119429,4.382332801,0.549306956,0.422034371,0.04011109,7.72E-04,0.011763345,1.29E-11,3.49E-42,2.06E-94,2.46E-168,5.77E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.906696583,3.39260931,0.876798177,4.626454181,1.50303361,0.671007043,0.406591299,0.005682192,0.12258312,1.34E-10,3.63E-41,2.15E-93,2.57E-167,6.01E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.159112715,3.864261786,5.783438791,8.122682936,6.515490338,3.525474309,4.891606448,0.059799015,1.488116788,1.63E-09,4.41E-40,2.61E-92,3.11E-166,7.29E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336303829,3.21308227,1.174599092,4.925687374,2.074432186,0.978887394,0.879598792,0.011601775,0.266266917,2.91E-10,7.89E-41,4.66E-93,5.57E-167,1.31E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041753946,3.771579873,7.718212195,9.15076426,8.218688485,5.47992921,8.000467492,0.09656111,2.435827535,2.67E-09,7.22E-40,4.27E-92,5.10E-166,1.19E-261,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.95576753,3.350621315,3.416354382,7.694848986,3.909176379,1.517663416,1.609317057,0.020686193,0.488005404,5.34E-10,1.45E-40,8.55E-93,1.02E-166,2.39E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.102189908,1.197182315,0.92161796,0.498032409,0.283625942,0.495910617,0.476105362,0.416849784,4.220990183,5.557465279,12.09789561,0.247048613,1.388865764,1.340674955,0.662641471,0.630635508,0.508997502,0.251576903,0.201827942,0.181115664,0.13227193,2.633951934,2.151749296,5.345949506,0.263496253,0.515215536,1.700781646,0.901567248,0.733575178,0.509838237,0.270260122,0.323123005,0.270067145,0.257509858,3.335924072,3.442387581,7.903153111,0.264757355,0.850700007,2.051939821,1.161733692,0.924244055,0.495887071,0.280753223,0.471419185,0.448355119,0.414775324,4.137917569,5.354026265,11.69516386,0.243830606,1.334549628,1.861067135,1.017762269,0.772970399,0.50963011,0.278701551,0.388554849,0.344101318,0.292861731,3.651799803,4.119373822,9.235275339,0.264445165,1.025517898,2.141046955,1.226235742,0.947841321,0.496172751,0.284171611,0.514358486,0.499493896,0.440709245,4.315124018,5.817077982,12.62069143,0.244259127,1.454561626,2.076068537,1.177786185,0.918995695,0.497518082,0.282249797,0.483169825,0.460814072,0.412618508,4.172850418,5.435443326,11.85538971,0.246277123,1.356602405 +UMLYSI0314,L,butyl formate,CCCCOC=O,saturated esters,C5H10O2,592-84-7,11614,PubChem,,31,0,-0.6731,0.45306361,24.0782,17.07193,0,0,17,7,10,0,5,0,2,0,0,0,0,0,0,0,1243.417247,1130.35521,1108.920849,864.620156,702.149539,461.512846,274.878453,51.429168,0,2861.203507,3326.105375,3795.803986,3428.531887,2647.928293,1729.194362,987.8707177,339.2921252,0,131.590652,123.89952,216.73182,233.561216,203.05558,140.030848,70.883676,48.568896,0,19.67703705,23.5201631,29.6320694,28.91312836,21.85036128,13.6996161,7.752279022,2.938142673,0,2854.050872,2371.638531,4560.013822,5356.961623,4618.210326,3144.767927,1506.037377,1110.305786,0,86,50.75,82,62.75,67.5,52.5,38,24,0,73.142191,70.64720063,39.60431604,27.01937988,26.00553848,25.63960256,30.54205033,8.571528,0,168.3060886,207.8815859,135.5644281,107.1416215,98.07141824,96.06635342,109.7634131,56.54868753,0,7.740626588,7.74372,7.740422143,7.298788,7.520577037,7.779491556,7.875964,8.094816,0,1.157472768,1.470010194,1.058288193,0.903535261,0.80927264,0.761089783,0.861364336,0.489690445,0,167.8853454,148.2274082,162.8576365,167.4050507,171.0448269,174.7093293,167.3374863,185.0509644,0,5.058823529,3.171875,2.928571429,1.9609375,2.5,2.916666667,4.222222222,4,0,0.277281186,-0.128751318,-0.015165112,0.013109372,1.89E-04,-0.017695948,0.018777072,-0.009103604,0,629.8202065,-12.09745997,-172.1029775,81.923027,16.03948208,-43.81225909,-109.9922641,-74.86765164,0,780.5766247,-146.4197851,-258.5774407,5.438799121,23.51047673,109.4465203,-153.9869546,30.30007194,0,1.881607059,-0.015005232,0.384127668,0.106838007,-0.266060623,-0.533131709,-0.249082325,-0.368489315,0,3.424768994,-1.080059213,-0.652794246,-0.404990785,-0.107220096,0.758620895,-0.680011113,0.454070061,0,19.34959846,-6.628413839,-2.448121777,-2.917537371,-1.091186195,4.342048852,-3.79039808,2.858809181,0,36.52941176,1.781141869,5.686851211,3.194636678,-4.899653979,-8.560553633,-5.750865052,-9.716262976,0,0.016310658,-0.008046957,-5.42E-04,4.10E-04,7.00E-06,-9.83E-04,0.002086341,-0.001517267,0,37.04824744,-0.756091248,-6.14653491,2.560094594,0.594054892,-2.434014394,-12.22136268,-12.47794194,0,45.91627204,-9.151236571,-9.234908598,0.169962473,0.870758398,6.08036224,-17.10966162,5.05001199,0,0.110682768,-9.38E-04,0.013718845,0.003338688,-0.009854097,-0.029618428,-0.027675814,-0.061414886,0,0.201457,-0.067503701,-0.02331408,-0.012655962,-0.003971115,0.042145605,-0.07555679,0.075678344,0,1.138211674,-0.414275865,-0.087432921,-0.091173043,-0.040414304,0.241224936,-0.421155342,0.476468197,0,2.148788927,0.111321367,0.203101829,0.099832396,-0.181468666,-0.475586313,-0.638985006,-1.619377163,0,-0.493355779,-0.033205966,0.025116576,4.29E-04,-0.060273976,0.127912762,-0.093023061,0,-0.020408287,-0.165906226,0.069101638,0.016034629,-0.065698503,-0.329876945,-0.336802489,0,-0.199302691,-0.201124965,0.003701574,0.018964048,0.13242282,-0.372627412,0.109983058,0,-0.008473107,0.123947436,0.030164476,-0.089030093,-0.267597466,-0.250046275,-0.554873056,0,-0.335077465,-0.115727328,-0.062822151,-0.019711972,0.209203976,-0.375051701,0.375655071,0,-0.363970845,-0.076816046,-0.08010201,-0.035506843,0.211933283,-0.370014956,0.418611237,0,0.051806562,0.094519209,0.046459843,-0.084451601,-0.221327608,-0.297369834,-0.753623188,0,1.429573561,0.890300262,0.581084723,0.897108884,1.345281774,1.398256837,1.430396871,0,0.99899345,1.128976428,0.767703441,0.893497407,1.060445548,1.34024611,1.427264979,0,1.508256898,1.20602934,0.94075352,0.836496784,0.641729135,1.254745176,0.427618545,0,0.720275784,0.857040638,0.55659974,0.9999383,1.543558079,1.499907449,2.397618556,0,1.799320607,1.160458952,0.994264234,0.833264399,0.501458188,1.249896598,0.021351435,0,1.84360627,1.13151684,0.991256891,0.839980059,0.504441023,1.259970088,7.95E-05,0,0.506441224,0.596388314,0.364432367,0.991590624,1.499552693,2.457684738,3.942028986,0,27.34132278,13.92066139,22.64593442,27.69846563,3.956923662,13.92066453,0.5,0.151999705,0.021714244,-1.318713691,24.02991217,3.432844596,2.225509576,27.35287911,13.92570514,22.65405973,27.7089728,3.958424685,13.92570826,0.498531158,0.151717071,0.021673867,-1.320016507,24.04190302,3.434557575,2.225858787,37.66715018,18.43458061,30.37017608,37.09715807,5.29959401,18.43458064,-0.797988956,0.038927702,0.0055611,-2.272234404,25.89342176,3.699060251,2.277792265,27.36500797,13.93099879,22.66258922,27.72000054,3.960000077,13.93100189,0.4969896,0.151420605,0.021631515,-1.321385694,24.0545509,3.436364414,2.226226944,48.68665195,23.26103171,39.16283059,47.14051728,6.734359612,23.26103171,-2.164588529,0.145427586,0.020775369,-1.349653905,21.45506264,3.065008949,2.146172447,28.5528555,14.44956194,23.50582944,28.80019005,4.114312865,14.44956371,0.346268372,0.123239478,0.01760564,-1.465538087,25.66193322,3.66599046,2.271506087,27.03991255,13.68981147,22.90795542,27.44939582,3.92134226,13.68981656,1.171428571,0.290904749,0.041557821,-0.864331573,21.59862023,3.085517176,2.150840604,0,11.98873999,16.00602406,-0.344470163,0.322594507,3.006338828,6.342633716,6,16,15,15,5,1,1,0,0,1,13.80607,3.441814119,3.150817954,2.652658745,1.951177829,1.332129405,0.962982119,0.401819773,0.083923071,1.819042425,1.426687965,1.129843116,0.857455063,0.576698076,0.083923071,0.083923071,0.083923071,3.397999767,2.998074511,2.628338517,1.94868012,1.382793626,0.607887043,0.375212603,0.270913902,1.772004682,1.440098571,1.160858291,0.751961338,0.429895587,0.270913902,0.270913902,0.270913902,3.573301809,3.272370349,2.882775821,2.304501419,1.842982924,1.230279492,1.030420898,0.943918427,1.556058032,1.129382713,0.837255471,0.32507248,0.092053683,0.943918427,0.943918427,0.943918427,3.409318774,2.957773456,2.633491178,1.989457686,1.455517602,0.460343948,0.417568966,0.399277246,1.749369002,1.461301524,1.141042924,0.682763804,0.332129085,0.399277246,0.399277246,0.399277246,3.620512977,3.288719691,2.956857788,2.434851317,2.0279584,1.20895283,1.208035068,1.207644823,1.500392066,1.099552157,0.774837217,0.191427819,0.277317449,1.207644823,1.207644823,1.207644823,4.867670093,3.458755277,3.07570064,2.422161626,1.836690149,1.510641782,1.074149656,0.588235294,1.684917433,1.147911391,0.644086615,0.460823091,0.190383633,0.588235294,0.588235294,0.588235294,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,4.515167194,2.467186437,1.320569247,0.68378347,0.275783423,0.117354024,0.034020691,0,0.645023885,0.411197739,0.264113849,0.170945867,0.091927808,0.058677012,0.034020691,0,9.138737228,17.10050983,16.3254902,16.6,9.953251497,131.4503174,0.537572778,1.005912343,0.960322953,0.976470588,0.585485382,7.73237161,0.9595,26.924,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,0,0,1,0,0,0,0,0,0,0,0,1,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.85079082,0.481805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.827152778,0,0,1.51231576,0,0,0.827152778,0,0,0,0,0,0,0,0,2.049764739,0,2.617638889,0,0.481805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.457457483,4.393333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.393333333,0.481805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.827152778,0,0,0.272454649,0,0,0.827152778,0,0,0,0,0,0,0,0,2.049764739,0,0.569444444,0,0.481805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.457457483,4.393333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.457457483,0.481805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.827152778,0,0,0.555902778,0,0,0.827152778,0,0,0,0,0,0,0,0,2.049764739,0,1.077222222,0,0.481805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.457457483,4.393333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19,2.714285714,0.827152778,9.457457483,0.272454649,0.481805556,2.282105867,1.518194444,2.457457483,6.801111111,1.518194444,2.457457483,6.801111111,3.16666,0.45238,0,0.04762,0.5549,0.91905,0.42174,0.5549,0.91905,0.13316,0,-0.13316,0,0.49223,0.22206,0,0.26316,0,0,5.25,0.75,3.75,0.53571,1.5,0.21429,-2.25,-0.32143,0,0,4.22329,0.60333,6.60412,2.38083,0.34012,2.30205,0.32886,3.41421,1.11216,0.15888,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6.02,2,2,2,2,0,0,0.8,1.332820405,2.291620193,3.219528282,3.4548224,3.4548224,2.973944419,22.65794688,38.95754329,54.7319808,58.7319808,58.7319808,50.55705512,0.326075235,0.560646123,0.78765934,0.845224173,0.845224173,0.727577114,2.754642437,1.795842648,0.867934559,0.632640441,0.632640441,1.113518423,0.326075235,0.560646123,0.78765934,0.845224173,0.845224173,0.727577114,12.49498498,21.4380538,23.66641985,23.90355516,23.90355516,18.13301938,25.89308809,17.14593369,15.31661844,14.80487122,14.80487122,11.91960333,7,6,6,7,3,4,1.79,0.8875,0,1.709148026,0,0,3.14734519,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.428,0.418,0.582,0.072,2.882,5,4,3,2,1,0,0,0,0,28,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.666666667,5,0.833333333,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,26.3,109.9803765,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,102.0680796,6.00400468,12.83378878,1.833398397,5.218211127,5.218211127,0,56,4,1.355,22,1.2279375,2.111164682,2.839972366,3.585870213,4.890672413,6.011230464,7.025164346,0,0,0,97.03488043,91.04836072,92.18035678,117.5386994,145.1426179,207.816556,63.27417369,0,0,0,275.4527087,303.4794758,332.9699329,405.6301334,510.374725,704.8156412,407.5697707,0,0,0,9.580352237,16.4112276,20.86318901,27.4376942,38.38593868,47.80565342,57.4244378,0,0,0,1.901496662,2.333337895,2.700742363,3.181842619,3.915238795,5.386459185,3.458399243,0,0,0,180.5610519,340.8912437,472.3042898,603.3727448,849.3863098,997.293055,1300.06739,0,0,0,3.998875,6.349737426,5.88391111,9.891186587,15.00449619,27.08472933,29.31479094,0,0,0,0.446018906,0.559454403,0.638140275,0.804963021,1.031815448,1.438126101,1.099786456,0,0,0,259.917312,191.48524,16.47346406,107.1862981,-78.96585975,-22.22062406,152.7310139,270.4510997,38.69408811,0.708021673,0.521610888,0.044874154,0.291978327,-0.215105103,-0.060529571,95.41658355,70.29492287,6.047468125,39.34847696,-28.98865219,-8.157271309,0.336840176,0.43201522,9.639784043,6.86524307,267.402091,99.701519,0.72841041,0.27158959,522.7457335,22.86363343,8.055580321,619.6160943,24.89208899,8.525258636,772.9665304,27.80227563,9.177412019,2.694685161,2.694685161,611.7948297,593.5878546,31.56552285,1.030672755,19.38174231,18.8049429,3.725851654,4.466158665,7.710845384,0.726505026,2.802231592,3.301034687,3.966710022,11.91014117,3.396571224,1.343503859,3.425221384,4.903879807,1.388144435,1.930604665,3.608730241,0.263115165,0.812289488,0.023460666,4.68E-04,1.80E-27,1.33E-72,1.91E-139,5.26E-228,0,0,0,0,0,0,0,0,0,0,0,0.2516794,3.452060318,0.402317978,2.497151729,0.025975431,1.140552728,0.399165576,0.844399571,0.16974417,0.215822381,1.393550769,0.019424822,0.853448215,0.00262263,5.23E-05,2.01E-28,1.49E-73,2.13E-140,5.88E-229,0,0,0,0,0,0,0,0,0,0,0,0.765034346,3.17097369,0.806649659,3.410332705,0.254563288,0.958078924,0.818194048,1.046827311,0.246502771,0.373861409,1.594394185,0.064456012,0.482147524,0.004543139,9.06E-05,3.48E-28,2.58E-73,3.69E-140,1.02E-228,0,0,0,0,0,0,0,0,0,0,0,2.650193139,3.451605081,4.613134438,11.22530627,3.027697651,1.518698198,3.859837018,4.716520111,1.302432297,2.424911367,4.084570764,0.246530406,1.06278063,0.029467468,5.87E-04,2.26E-27,1.67E-72,2.39E-139,6.60E-228,0,0,0,0,0,0,0,0,0,0,0,1.119938123,3.064166681,0.935009763,4.29563408,0.547893698,0.884001159,0.989869389,1.37646565,0.352401518,0.370191912,1.648284684,0.096767251,0.335975409,0.004498555,8.97E-05,3.45E-28,2.56E-73,3.65E-140,1.01E-228,0,0,0,0,0,0,0,0,0,0,0,3.384123505,3.396479371,5.571295275,15.72180696,4.946884312,1.574247544,4.628721313,6.578599656,1.896101155,2.819664332,4.624530694,0.326415249,1.029131557,0.034264507,6.83E-04,2.63E-27,1.95E-72,2.78E-139,7.68E-228,0,0,0,0,0,0,0,0,0,0,0,1.704635604,3.333319474,5.227387779,6.719175343,1.180082051,2.577885412,3.261760683,3.725978283,0.830476486,2.338110514,6.723525486,0.170131888,3.459819346,0.056825162,0.001132601,4.35E-27,3.23E-72,4.62E-139,1.27E-227,0,0,0,0,0,0,0,0,0,0,0,5.316048451,0.658370212,0.389847891,0.835296323,0.103447932,0.500449313,0.589175537,0.470574535,6.364266554,5.829042464,13.55774855,0.752944484,1.560199384,6.69296847,0.260761977,0.065409157,0.95353118,0.037150134,0.802859879,0.065450561,0.013246927,7.019139605,2.200109341,9.333405697,0.93029677,0.881557367,5.527014256,0.427226623,0.196466818,0.898598101,0.069459751,0.540240371,0.223166976,0.119513363,6.150707698,3.531098398,10.14572076,0.847897151,0.882920709,5.584289679,0.644931039,0.365821744,0.846740519,0.097790278,0.551202634,0.546697911,0.414359286,6.595042462,5.880266132,13.79280893,0.770110779,1.51225983,5.107671582,0.496772577,0.265860424,0.870086298,0.084624668,0.461357591,0.329429525,0.218849435,5.870304584,4.027351078,10.57223692,0.805129447,1.009636551,5.372031269,0.686582871,0.410539724,0.830407095,0.106131789,0.511096766,0.641278145,0.521853276,6.469153863,6.175646426,14.15901228,0.745610643,1.674228187,5.661502285,0.646651452,0.36962232,0.847812541,0.096836349,0.566592671,0.551411754,0.423013687,6.677776056,5.992653087,14.02362336,0.771718811,1.541018112 +UMLYSI0315,L,methyl trimethylacetate,CC(C)(C)C(=O)OC,saturated esters,C6H12O2,598-98-1,69027,PubChem,,30.8,0,1.5674,2.45674276,31.1152,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1819.682362,1852.624684,835.214187,217.927584,27.433728,0,0,3346.887898,3979.09551,5438.143466,5984.721907,4176.307897,2065.259095,839.2610996,0,0,152.568096,145.6753,259.296856,291.306664,424.2675,128.117376,181.398528,0,0,23.35516286,28.53615172,39.80574161,45.5706093,34.94200907,20.04379758,12.00454843,0,0,3350.680532,2804.677982,5532.366019,5793.874086,9721.397127,2756.205859,4992.776605,0,0,93.59027778,58.08333333,96.70833333,135.5,158.25,36,27,0,0,69.4856748,68.35965826,53.52006947,48.75328116,15.46692939,12.107088,1.016064,0,0,167.3443949,209.4260795,159.9453961,157.4926818,77.33903513,114.7366164,31.08374443,0,0,7.6284048,7.667121053,7.626378118,7.665964842,7.856805556,7.117632,6.718464,0,0,1.167758143,1.501902722,1.170757106,1.199226561,0.647074242,1.11354431,0.444612905,0,0,167.5340266,147.6146306,162.7166476,152.4703707,180.0258727,153.1225477,184.917652,0,0,4.679513889,3.057017544,2.844362745,3.565789474,2.930555556,2,1,0,0,0.268749347,-0.168417446,0.008917654,0.15750335,-0.152444513,-0.014548201,0.034614482,0,0,715.056216,-13.739645,361.38649,-412.25138,-379.064373,-535.9392,622.08,0,0,931.2646053,-148.2416011,552.9771452,-1216.064055,488.7102495,-934.6464756,791.6324341,0,0,1.9334688,0.00145024,0.69094624,0.00287488,-2.28471216,-0.00438912,0.62709552,0,0,4.097118945,-1.072153629,2.512187225,-6.887717495,4.627494244,-3.898654467,2.67028465,0,0,23.01673804,-6.548761719,14.02121514,-39.94961561,28.39021188,-20.63185311,13.2104344,0,0,37.75659722,-2.491336806,11.31482639,4.743368056,-40.6209375,-3.9746875,12.15046875,0,0,0.013437467,-0.008864076,2.62E-04,0.004144825,-0.002823047,-8.08E-04,0.001282018,0,0,35.7528108,-0.723139211,10.62901441,-10.84872053,-7.019710611,-29.7744,23.04,0,0,46.56323026,-7.80218953,16.26403368,-32.00168565,9.050189805,-51.9248042,29.31971978,0,0,0.09667344,7.63E-05,0.020321948,7.57E-05,-0.042309484,-2.44E-04,0.02322576,0,0,0.204855947,-0.056429138,0.07388786,-0.181255724,0.085694338,-0.216591915,0.098899431,0,0,1.150836902,-0.344671669,0.412388681,-1.051305674,0.525744664,-1.146214061,0.489275348,0,0,1.887829861,-0.13112299,0.332789011,0.124825475,-0.752239583,-0.220815972,0.450017361,0,0,-0.659653777,0.019518852,0.308452842,-0.210087694,-0.060147745,0.095406211,0,0,-0.02022608,0.297291714,-0.303436857,-0.196340105,-0.832784873,0.644424857,0,0,-0.167561174,0.349289205,-0.687273745,0.194363444,-1.115146091,0.629675382,0,0,7.90E-04,0.210212321,7.83E-04,-0.437653656,-0.002522306,0.240249649,0,0,-0.275457653,0.360682033,-0.884796004,0.418315109,-1.057288879,0.482775496,0,0,-0.299496539,0.358338076,-0.913514046,0.456836815,-0.995983062,0.425147427,0,0,-0.069456995,0.176281252,0.066121147,-0.398467891,-0.116968153,0.238378135,0,0,1.647623027,1.046167112,1.131548912,1.402008464,0.200026015,0.030285063,0,0,1.04922138,0.701636723,1.308746499,1.250459374,1.608442888,0,0,0,1.505949528,0.703697312,1.877812999,0.458632821,2.296565783,0,0,0,0.713221749,0.758102378,0.83822506,2.161541876,0.116527352,0,0,0,1.749688453,0.72422009,2.16412417,0.146128602,2.33359852,0,0,0,1.787392882,0.73227107,2.204051197,0.125418958,2.256430536,0,0,0,0.634546943,0.519000434,0.865053017,2.275862386,0.251611657,0,0,0,27.53430926,14.01715463,20.20854997,27.90930926,3.488663657,14.01715743,0.5,0.03426621,0.004283276,-2.698876436,25.46879078,3.183598848,2.589963049,27.54413283,14.02133199,20.21462205,27.9180312,3.489753899,14.02133478,0.498531158,0.033877274,0.004234659,-2.708008689,25.47732578,3.184665723,2.590231097,36.45487553,17.82844329,26.2011856,35.85638381,4.482047976,17.82844333,-0.797988956,0.24752699,0.030940874,-1.116988521,154.7210088,19.3401261,4.033298842,27.55444358,14.02571659,20.22099676,27.92718578,3.490898223,14.02571936,0.4969896,0.033469194,0.004183649,-2.717703886,25.48631705,3.185789631,2.590513377,46.16177463,21.99859305,33.35150504,44.53833323,5.567291654,21.99859305,-2.164588529,0.407486023,0.050935753,-0.718198917,31.30690938,3.913363672,2.755071056,28.56668089,14.45647463,20.85412179,28.82638217,3.603297771,14.45647636,0.346268372,0.005839155,7.30E-04,-4.114535348,26.54812969,3.318516212,2.62316744,33.07491118,16.82102794,25.10484826,33.59197467,4.198996834,16.82102814,1.034126984,0.217887309,0.027235914,-1.219021824,22.67958289,2.834947861,2.49717207,0,11.99635523,15.99825889,-0.349207614,0.266634472,4.350493064,8.352627927,7,19,18,18,6,1,1,0,0,1,15.992484,3.629479951,3.001864409,2.49913422,2.333552793,2.333552793,1.095656758,0.657978861,0.083923071,1.859180584,1.430988866,1.249629723,1.249629723,0.762040662,0.083923071,0.083923071,0.083923071,3.567661678,2.878596035,2.405454588,2.405454588,2.393023978,0.661278337,0.622755132,0.270913902,1.837249813,1.416050609,1.134540686,1.134540686,0.898588725,0.270913902,0.270913902,0.270913902,3.705829778,3.170312849,2.704236987,2.704236987,2.696960859,1.257079354,1.01811611,0.943918427,1.663520046,1.07235884,0.76031856,0.76031856,0.563257646,0.943918427,0.943918427,0.943918427,3.56375144,2.856946815,2.457539916,2.457539916,2.372773247,0.672046055,0.465092767,0.399277246,1.831435506,1.407793103,1.058262671,1.058262671,0.932348181,0.399277246,0.399277246,0.399277246,3.728696555,3.217165371,2.838982085,2.838982085,2.736333022,1.209058083,1.207644823,1.207644823,1.632297896,1.015119329,0.631337262,0.631337262,0.528297263,1.11852325,1.207644823,1.207644823,4.628009175,3.365351042,3.16254277,2.578143557,2.578143557,1.849929593,0.893575484,0.549618321,1.757404281,1.112141694,0.929288595,0.929288595,0.358106363,0.549618321,0.549618321,0.549618321,0,0,1,0,0,3,0,0,1,0,0,0,0,0,0,0,0,0,0,1.570149549,0.288675135,0.612372436,0.204124145,1.291666667,0.25,0.125,0.041666667,2.29489442,1.717544151,0.816496581,0.779039102,0.635310363,0.227062073,6.78445705,3.481380475,3.675321265,2.090770275,0.612372436,0,0,0,0.848057131,0.497340068,0.367532126,0.261346284,0.204124145,0,0,0,5.816496581,2.566496581,2.741581624,0.797767842,0.306186218,0,0,0,0.727062073,0.366642369,0.274158162,0.09972098,0.102062073,0,0,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.2055,31.471,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,43,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.08680556,-0.168981481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.105208333,0,0,0,0,0,0,0,0,0,0,0,6.851273148,0,0,0,0,0,0,0,0,-0.168981481,0,0,-0.352430556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.61111111,4.475694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.475694444,-0.168981481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368402778,0,0,0,0,0,0,0,0,0,0,0,1.396412037,0,0,0,0,0,0,0,0,-0.168981481,0,0,-0.352430556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.61111111,4.475694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.61111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368402778,0,0,0,0,0,0,0,0,0,0,0,1.818287037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.61111111,4.475694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.41666667,2.677083333,0.555902778,10.61111111,0.291666667,-0.352430556,2.897230903,1.835648148,3.611111111,9.173611111,1.835648148,3.611111111,9.173611111,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.63636,0.13636,0.13636,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,6.63311,0.82914,9.87351,3.24039,0.40505,2.39754,0.29969,3.48137,1.08383,0.13548,0.43263,0.05408,0.43263,0.05408,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,1.933206219,2.419973094,2.419973094,2.203876689,1.555587475,25.90923688,38.66412439,48.39946188,48.39946188,44.07753379,31.1117495,0.299741647,0.447301801,0.55992905,0.55992905,0.50992905,0.35992905,3.026466251,2.388721876,1.901955001,1.901955001,2.118051406,2.76634062,0.299741647,0.447301801,0.55992905,0.55992905,0.50992905,0.35992905,12.01211119,20.06453515,20.55511099,20.55511099,17.96195414,8.455910192,29.38046565,20.04323714,20.63433191,20.63433191,19.33775348,14.58363258,8,2.52,2.8125,8,3,3,1.9,1.0284,2.121320344,0,2,3.039342743,0,0,0,0,1,0,0,0.5,0,0,0,0,0,0,0,0.003,0.475,0.453,0.479,0.059,2.946,10,8,3,0,0,0,0,0,0,36,2.197224577,2.564949357,2.564949357,1.386294361,0,0,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,2,4,1,3.5,1.555555556,0.375,0,0,0,0,0,0,0,0.5,0.155555556,0.046875,0,0,0,0,0,0,0,0.702430556,16.31516861,23.27034508,32.63033722,4.078792153,16.31516884,0.106533341,0.013316668,-1.791437828,30.34040567,3.792550709,2.729984276,26.3,127.2763612,4,3.555348061,4.262679877,5.093750201,5.837730447,6.665683718,7.418780883,8.245121966,9.000976444,9.826552511,74.90662411,2.708050201,0,4.007333185,0,5.493061443,0,7.041411664,0,8.611593867,8.847216104,116.0837296,5.804186481,14.27506506,1.784383133,5.04207102,5.04207102,0,63,8,0.988,34,1.230631579,2.105177354,2.965489936,3.463815536,4.64575353,4.99426784,0,0,0,0,94.58963281,127.0017447,149.2118008,60.0731579,56.24654681,5.074495758,0,0,0,0,279.0386343,369.9958878,474.5852683,287.1839904,533.0380405,155.2405451,0,0,0,0,9.500427541,16.18963782,22.78121444,27.20726413,33.06676399,33.55380869,0,0,0,0,1.953218228,2.651103943,3.586002227,2.366415459,5.173252409,2.220515932,0,0,0,0,180.0610686,337.6277512,451.7357125,619.9410912,711.3696165,923.5282825,0,0,0,0,3.841609649,6.390851668,10.70973826,10.18450219,9.29150706,4.99426784,0,0,0,0,0.448387105,0.617118038,0.876484945,0.630642618,1.114980847,0.511413027,0,0,0,0,378.2821494,278.5537199,17.70850588,117.3470759,-86.41027489,-16.84401083,260.9350735,364.9639948,34.55251671,0.763236165,0.562020369,0.035729342,0.236763835,-0.174344592,-0.033985104,187.4876886,138.0593644,8.776853051,58.16064032,-42.8274576,-8.348384038,0.362061408,0.432589261,8.642234364,2.944396593,422.7190939,72.91013139,0.852893801,0.147106199,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,1060.613599,32.5670631,10.19809525,1.354972675,1.221238092,364.5568157,316.1241372,160.2452796,1.153207784,2.27499254,1.972751634,3.782702989,3.225612586,6.153310547,0.907640916,3.360032699,4.293035163,6.01096896,11.36579188,2.551813694,7.739412457,5.045549755,4.730083854,3.168516704,0.681340937,0.646670537,1.04E-05,1.07E-31,2.23E-79,9.30E-149,7.67E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.298491782,4.44399356,0.544309687,6.932288701,0.205605782,2.734968962,1.365460579,0.40572056,0.170262311,0.056965043,0.004554553,7.33E-08,7.57E-34,1.57E-81,6.55E-151,5.40E-242,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.91615042,4.162911504,1.115623927,7.420136981,0.62330353,2.567841042,1.628838277,1.258580155,0.612521064,0.184031892,0.047461959,7.64E-07,7.88E-33,1.64E-80,6.82E-150,5.63E-241,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.176711882,4.443598203,6.900250444,11.52814042,2.403742092,8.228032383,4.821912832,4.469781623,2.924914184,0.642982101,0.576171806,9.28E-06,9.57E-32,1.99E-79,8.28E-149,6.83E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.342655413,4.05611035,1.310399734,7.833690855,0.926187362,2.699080602,1.910305571,1.849100416,0.966519793,0.2713726,0.103093717,1.66E-06,1.71E-32,3.56E-80,1.48E-149,1.22E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.057749124,4.388510752,8.546584517,12.74823112,3.18089704,10.1943193,6.759454841,5.765198414,4.138651192,0.823519714,0.943108203,1.52E-05,1.57E-31,3.26E-79,1.36E-148,1.12E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.06860151,3.710953007,6.779366726,11.74717153,1.258570986,10.63136137,3.593958291,2.874997495,1.538218945,0.410793851,0.195346429,3.15E-06,3.25E-32,6.75E-80,2.81E-149,2.32E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.421509358,1.18724418,1.082634344,0.601173111,0.208603631,0.477752841,0.442098095,0.429286488,5.691387882,9.051761937,19.1409914,0.401759666,1.349137424,2.314962594,0.925769299,0.481608719,0.621910468,0.24870623,0.225020571,0.27156587,0.084945449,3.722340612,3.703886033,8.458372547,0.432865703,0.58153189,2.803457224,0.955165242,0.760892162,0.620300509,0.211342438,0.322345829,0.288093621,0.212034259,4.519514629,5.537671273,12.09467623,0.430450763,0.82247371,3.332381872,1.194876201,1.031219861,0.599513376,0.214964639,0.454010736,0.449128629,0.389465623,5.558477934,8.650382233,18.3149547,0.399270064,1.292604989,3.045784732,0.990310084,0.894167503,0.617773363,0.200863569,0.378858167,0.307982944,0.292832825,4.93026232,6.625216159,14.25253029,0.426660044,0.979673936,3.483435108,1.223428312,1.113241331,0.598517597,0.210207267,0.495201055,0.469452199,0.453900435,5.82010475,9.501608031,20.06605025,0.397776395,1.418553689,3.346162439,1.209553162,1.042990458,0.597667105,0.216041555,0.458240159,0.46087011,0.398407292,5.598706059,8.79892926,18.6189946,0.396500657,1.317517561 +UMLYSI0316,L,2-methyl-3-pentanone,CCC(=O)C(C)C,saturated alkanone,C6H12O,565-69-5,11265,PubChem,,30.7,0,0.5566,0.30980356,30.8805,19.363516,0,0,19,7,12,0,6,0,1,0,0,0,0,0,0,0,1133.745495,1058.76965,1309.522631,1287.785658,614.347106,160.526016,18.289152,0,0,3130.497121,3797.153407,4869.666819,4863.044131,3533.390297,1843.095563,559.5073998,0,0,139.21638,133.148048,238.8371,289.875648,273.871496,186.188544,120.932352,0,0,22.71195886,28.64637172,38.88601801,39.3681764,30.87107417,20.03172529,8.003032287,0,0,3165.229247,2624.785681,5239.795721,6371.183567,6098.057043,4611.235353,3328.517736,0,0,79.80555556,47.05555556,71.33333333,114.8333333,105,39,18,0,0,59.67081553,58.82053611,39.68250397,33.02014508,17.06519739,5.945408,1.016064,0,0,164.7630063,210.9529671,147.5656612,124.6934393,98.14973047,68.26279863,31.08374443,0,0,7.327177895,7.397113778,7.237487879,7.432708923,7.607541556,6.895872,6.718464,0,0,1.195366256,1.591465096,1.178364182,1.00944042,0.857529838,0.741915752,0.444612905,0,0,166.591013,145.8214267,158.7816885,163.3636812,169.3904734,170.7864946,184.917652,0,0,4.200292398,2.614197531,2.161616162,2.944444444,2.916666667,1.444444444,1,0,0,0.12612701,-0.051155189,-0.010133162,0.049917946,-0.05792635,-0.003781272,0.010014523,0,0,605.7336044,-45.41908671,93.72540758,-83.14097771,-523.1142271,-72.13189465,327.2139763,0,0,916.6964704,-95.75164029,10.66748546,-251.4918117,-407.7858164,-204.2640769,490.2776246,0,0,1.062550737,-0.002447645,0.133494404,-0.112765828,-0.848050449,0.101830637,0.196663512,0,0,4.063287563,-0.461433045,-0.420527699,-1.518423952,-0.453312913,-1.066562142,1.888615969,0,0,22.47243353,-2.562605463,-3.059085009,-8.995022152,-0.396168904,-6.009108216,9.785772976,0,0,34.00292398,-1.675284703,1.573868883,0.020313943,-24.03185596,1.614265928,5.497229917,0,0,0.006638264,-0.002841955,-3.07E-04,0.001279947,-0.001609065,-1.40E-04,5.56E-04,0,0,31.88071602,-2.523282595,2.840163866,-2.131819941,-14.53095075,-2.671551654,18.17855424,0,0,48.24718265,-5.319535572,0.323257135,-6.448507993,-11.32738379,-7.56533618,27.23764581,0,0,0.055923723,-1.36E-04,0.004045285,-0.002891431,-0.023556957,0.003771505,0.010925751,0,0,0.21385724,-0.025635169,-0.012743264,-0.038933947,-0.012592025,-0.039502302,0.104923109,0,0,1.18275966,-0.14236697,-0.092699546,-0.230641594,-0.011004692,-0.222559564,0.543654054,0,0,1.789627578,-0.093071372,0.047692996,5.21E-04,-0.667551554,0.059787627,0.305401662,0,0,-0.428117217,-0.046256901,0.192813571,-0.242392494,-0.021096948,0.08381143,0,0,-0.079147614,0.089087204,-0.066868634,-0.455791229,-0.083798358,0.570205331,0,0,-0.11025588,0.006700021,-0.133655638,-0.23477814,-0.156803688,0.564543758,0,0,-0.002431532,0.07233576,-0.05170313,-0.421233703,0.067440165,0.195368801,0,0,-0.119870476,-0.059587712,-0.182055784,-0.058880519,-0.184713417,0.490622199,0,0,-0.12036847,-0.07837564,-0.195002925,-0.00930425,-0.188169728,0.459648797,0,0,-0.052006,0.026649677,2.91E-04,-0.373011437,0.03340786,0.170650959,0,0,1.166486943,0.788435999,1.237830968,1.9441051,0.211909689,5.23E-06,0,0,1.212328523,0.88646729,1.105242463,1.53429446,0.799467014,0,0,0,1.492302918,1.092143786,1.109162014,1.064367884,0.982342229,0,0,0,0.521883785,0.520629855,1.364744676,2.466381048,0.089279501,0,0,0,1.578834284,1.181956255,1.160338478,0.877028032,0.990748766,0,0,0,1.583316226,1.196478905,1.181781602,0.85149031,0.973087793,0,0,0,0.578381632,0.557215894,1.319456663,2.432388855,0.117636942,0,0,0,25.02490021,12.6374501,18.84162152,25.20347164,3.600495948,12.63745986,0.25,0.03786306,0.005409009,-2.291645516,33.55739033,4.793912904,2.459279982,25.02658743,12.63792651,18.84210952,25.20463427,3.600662039,12.63793626,0.249265579,0.037863046,0.005409007,-2.291645774,33.55549394,4.793641992,2.459240423,26.53628816,13.06864684,19.28607835,26.25129211,3.750184587,13.06865248,-0.398994478,0.038213956,0.005459137,-2.285188139,31.85121944,4.550174205,2.422752968,25.02835825,12.63842652,18.84262172,25.20585453,3.600836362,12.63843627,0.2484948,0.037863032,0.005409005,-2.291646031,33.5535036,4.793357657,2.459198901,28.1639269,13.54081632,19.78414872,27.39085957,3.912979938,13.54081966,-1.082294264,0.039945762,0.005706537,-2.254162885,30.01351683,4.287645261,2.381153489,25.20179809,12.68746614,18.89288492,25.32546537,3.617923624,12.68747524,0.173134186,0.037865749,0.005409393,-2.291595803,33.35851075,4.765501535,2.455119054,29.63803371,14.87688917,22.66898503,29.89339086,4.270484408,14.8768903,0.595833333,0.003235164,4.62E-04,-4.01357301,26.49986228,3.785694612,2.293997675,0,11.89,15.99491614,-0.298912634,0.134953235,4.429620994,7.495292184,6,18,17,17,5,1,1,0,0,1,14.076484,3.586396563,3.006845527,2.500043867,2.333552793,1.565403585,1.183776618,0.083923071,0.083923071,1.860130777,1.607394787,1.249629723,0.991170617,0.581829201,0.134219522,0.083923071,0.083923071,3.547629046,3.043006138,2.405454588,2.393940871,1.590088808,1.189867438,0.270913902,0.270913902,1.83118557,1.524667942,1.134540686,0.961435904,0.492987601,0.155800572,0.270913902,0.270913902,3.681324393,3.231974033,2.704236987,2.697453397,2.010084286,1.659215347,0.943918427,0.943918427,1.65498477,1.264618322,0.76031856,0.610178152,0.020510453,0.376576732,0.943918427,0.943918427,3.548202854,3.072912274,2.457539916,2.38460796,1.637563542,1.218364137,0.399277246,0.399277246,1.815959075,1.471310894,1.058262671,0.95241551,0.432353052,0.112263732,0.399277246,0.399277246,3.714086469,3.319201275,2.838982085,2.751144485,2.15520714,1.806915115,1.207644823,1.207644823,1.618683206,1.182087957,0.631337262,0.543900854,0.125569929,0.51251297,1.207644823,1.207644823,4.73394702,3.288481394,3.101455969,2.612600818,2.006999998,1.518164844,0.571428571,0.571428571,1.718646439,1.385847817,0.898315104,0.635700618,0.232422728,0.46642552,0.571428571,0.571428571,0,0,0,1,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.372008468,0,0.083333333,0,1.276142375,0.707106781,0.23570226,0.571975275,0.370790812,0.083333333,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,5.192705341,2.70815999,1.974566772,0.992412263,0.40824829,0,0,0,0.741815049,0.451359998,0.282080967,0.165402044,0.204124145,0,0,0,9.965765927,18.6576839,17.70196078,17.96,11.27156647,146.3240515,0.524513996,0.981983363,0.931682147,0.945263158,0.59324034,7.701265868,1.6215,30.136,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,2,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.51157407,0.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.720486111,0.802777778,0,0,0,0,0,0,0,0,0,0,5.736111111,0,0.678240741,0,0,0,0.226851852,0,0,0.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.51157407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.51157407,0.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305902778,0.401388889,0,0,0,0,0,0,0,0,0,0,1.891203704,0,0.678240741,0,0,0,0.226851852,0,0,0.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.51157407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.51157407,0.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,1.922453704,0,0.678240741,0,0,0,0.226851852,0,0,0.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.51157407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.5,2.5,0.487847222,10.51157407,0.291666667,0.226851852,2.852365741,1.319444444,3.511574074,7.023148148,1.319444444,3.511574074,7.023148148,3.33333,0.47619,0,0.02381,0.48772,0.80952,0.42174,0.48772,0.80952,0.06598,0,-0.06598,0,0.58823,0.12606,0,0.55,0.3,0,4.75,0.67857,3.25,0.46429,1.5,0.21429,-1.75,-0.25,0,0,5.60502,0.80072,7.55695,1.95193,0.27885,2.51659,0.35951,3.18073,0.66414,0.09488,0.23327,0.03332,0.23327,0.03332,0,6.01,1,1,1,1,0,0,0.833333333,1.167436723,1.733483434,2.535857776,2.970840013,2.747264881,2.076539484,22.18129774,32.93618524,48.18129774,56.44596025,52.19803274,39.4542502,0.27482501,0.408077452,0.596963523,0.699362219,0.64673064,0.488835903,3.08049079,2.51444408,1.712069738,1.2770875,1.500662633,2.171388029,0.27482501,0.408077452,0.596963523,0.699362219,0.64673064,0.488835903,10.29981851,17.09237903,19.49483227,19.93321825,17.25031667,8.30844834,25.71846446,18.40595726,16.76009378,16.57668442,15.23523362,10.76373098,7,3.06122449,2.666666667,7,1,5,2.01,0.9697,0.944940787,1.44224957,3.532775529,0,0,1.414213562,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.437,0.423,0.559,0.164,3.16,7,6,2,0,0,0,0,0,0,28,2.079441542,2.302585093,2.302585093,1.098612289,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,2,1.111111111,0.25,0,0,0,0,0,0,0,0.333333333,0.158730159,0.041666667,0,0,0,0,0,0,0,0.533730159,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,17.07,118.4861345,3.807354922,3.295836866,3.970291914,4.691347882,5.398162702,6.120297419,6.834108739,7.556427969,8.272059622,8.994296558,68.13282967,2.564949357,0,3.713572067,0,5.056245805,0,6.463029457,0,7.890956716,8.168486417,100.088815,5.267832369,12.50524286,1.786463266,2.394391508,2.394391508,0,46,6,0.984,26,1.230611111,2.121067845,2.912064374,3.589689685,4.514923128,5.33870552,0,0,0,0,82.68712511,95.36241409,103.669091,69.67817512,29.24365182,5.424466485,0,0,0,0,283.9634567,340.6674086,384.3883529,381.0166913,326.3074968,165.946958,0,0,0,0,9.132995542,15.45569604,21.72524917,27.16342286,31.22072972,35.86790084,0,0,0,0,2.091655824,2.656304907,3.065348691,3.288993191,3.494479145,2.373657369,0,0,0,0,177.3517926,332.4874216,472.5519767,600.7695065,764.206017,987.2208895,0,0,0,0,3.26487963,4.855371635,8.751166427,10.18077801,6.738000183,5.33870552,0,0,0,0,0.447387083,0.58915255,0.719463714,0.77800439,0.768223531,0.546683445,0,0,0,0,365.4641896,171.4188754,8.617136802,120.4567045,-56.49952419,-16.54387509,245.0074851,227.9183996,25.16101189,0.752106349,0.352771156,0.017733621,0.247893651,-0.116273091,-0.034046437,177.5866857,83.2960132,4.187246819,58.53242954,-27.45429931,-8.039014574,0.287571338,0.637240032,1.139510079,25.31628231,446.1928779,39.72801619,0.918241803,0.081758197,444.2955983,21.07832058,7.630576257,560.5400313,23.67572663,8.245219299,748.2050975,27.35333796,9.078349276,1.417256459,1.273670889,359.5978448,283.9845054,110.3647955,1.266258679,3.258265854,2.573143945,3.751896414,3.217262303,6.373000728,0.980876947,3.360021677,4.829715445,4.945641874,7.528591339,6.093567911,4.448788468,4.113723098,8.050154506,3.622567399,3.931026558,0.834395307,0.398626696,1.69E-17,1.38E-55,2.18E-115,6.62E-197,3.88E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,0.298477101,4.829555853,0.335303914,5.350584864,1.054845653,0.959545526,0.414310867,0.875807225,0.336948461,0.209546017,0.005876718,0.00280756,1.19E-19,9.72E-58,1.53E-117,4.66E-199,2.73E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,0.916142542,4.829449072,0.860836743,5.384684124,1.469999079,1.115818708,0.851579933,2.009964986,0.64356466,0.755747274,0.061239904,0.029256944,1.24E-18,1.01E-56,1.60E-116,4.86E-198,2.85E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,3.176697216,4.829756393,5.152790299,7.617405531,5.997548477,4.816587034,3.878379961,7.498146705,3.2926358,3.627694922,0.743431199,0.35516921,1.51E-17,1.23E-55,1.94E-115,5.90E-197,3.46E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,1.34265012,4.829422301,1.183628316,5.548899498,1.828230033,1.267130379,1.219868711,2.885570597,0.962140655,1.194069769,0.133021246,0.063549992,2.69E-18,2.20E-56,3.47E-116,1.06E-197,6.19E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,4.057735794,4.829860182,6.865708859,8.247514018,8.396015881,6.002519468,5.522951478,10.24266474,4.990385115,5.139857631,1.216887126,0.581359573,2.46E-17,2.01E-55,3.17E-115,9.65E-197,5.66E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,2.084230024,4.111224917,5.471428405,8.767322655,5.051618619,6.895194871,2.313488198,4.0039513,1.663650527,2.056008088,0.272455626,0.130163819,5.52E-18,4.51E-56,7.11E-116,2.16E-197,1.27E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,3.972380189,1.279996773,0.538514875,0.685970365,0.221036208,0.576440273,0.503590856,0.425048686,5.790891836,7.913116943,16.44215973,0.528955548,1.505079816,2.669771242,0.991630376,0.173883776,0.696107582,0.258554521,0.262237711,0.303434932,0.042210889,3.835285394,3.284084598,7.579714466,0.544161373,0.607883532,3.309627465,1.017785869,0.317691664,0.71249788,0.219109335,0.400410514,0.31837263,0.147076541,4.645104998,4.743275207,10.45852205,0.568746821,0.865859686,3.873692326,1.292181574,0.524267196,0.680772631,0.227091306,0.548294375,0.512655471,0.401337517,5.690141095,7.713812069,16.02817987,0.521158947,1.462287364,3.584918174,1.058474093,0.38456519,0.712996919,0.210517711,0.469492773,0.344981287,0.216976871,5.027957457,5.580230042,12.06743665,0.569495378,1.031450931,4.036760018,1.321426026,0.565788676,0.681427624,0.223064089,0.595280649,0.536508228,0.469007696,5.92397472,8.365880737,17.30793054,0.522141436,1.600796573,3.875730101,1.298001358,0.523823578,0.680244434,0.227817257,0.548900189,0.517340053,0.400510177,5.697555037,7.740825456,16.0735813,0.520366651,1.46675042 +UMLYSI0317,L,3-heptanone,CCCCC(=O)CC,saturated alkanone,C7H14O,106-35-4,7802,PubChem,,30.7,0,-0.6676,0.44568976,32.065,22.457102,0,0,22,8,14,0,7,0,1,0,0,0,0,0,0,0,1280.041744,1227.247947,1382.165159,1264.141294,913.529616,674.488295,323.876617,84.835296,9.144576,3616.181511,4450.143542,5558.086517,5314.515117,4254.306644,3187.969874,2127.761402,1061.424631,279.7536999,160.193824,154.923828,281.542892,350.60116,287.95188,236.96426,174.31498,123.32736,60.466176,26.39008467,33.66236034,45.56728387,44.90940762,36.42116956,28.46301417,19.97477611,12.01662072,4.001516144,3661.858907,3057.825133,6158.531007,8009.160087,6498.455672,5573.453599,4062.749184,3137.747111,1664.258868,82.77777778,51.16666667,80,112.0833333,94.41666667,69.5,52,24,9,58.18371564,58.44037843,35.44013228,26.33627696,23.42383631,20.43903924,13.49485904,4.713072,1.016064,164.3718869,211.9115972,142.5150389,110.7190649,109.0847858,96.6051477,88.65672507,58.96803508,31.08374443,7.281537455,7.377325143,7.219048513,7.304190833,7.383381538,7.180735152,7.263124167,6.85152,6.718464,1.199549303,1.60296954,1.168391894,0.935612659,0.933876143,0.862515581,0.832282338,0.66759004,0.444612905,166.4481321,145.6107206,157.9110515,166.8575018,166.6270685,168.8925333,169.281216,174.3192839,184.917652,3.762626263,2.436507937,2.051282051,2.335069444,2.420940171,2.106060606,2.166666667,1.333333333,1,0.130865953,-0.046071744,-0.00812048,0.003888775,-0.018321698,0.019212415,-0.020683956,-1.96E-04,0.004859221,687.3645011,-46.5210804,-72.60977875,-10.92626802,-224.2750048,13.910715,-199.4380218,38.74769802,157.4294903,1066.90404,-96.33311012,-292.1129994,2.672876398,-212.5694256,10.11149942,-205.1308026,17.55012244,242.3598194,1.085692364,-0.003217983,0.098766083,-0.163126612,-0.360648463,-0.041345455,-0.238867306,0.080435702,0.085157851,4.734521863,-0.459492824,-1.753681784,-0.025053141,-0.48782297,-0.039038854,-0.501808682,-0.053024566,0.95266189,26.12162368,-2.544279046,-10.26560835,-0.280625194,-1.984040363,-0.383189342,-2.086604511,-0.485753491,4.969288461,34.27272727,-0.533057851,1.168044077,-4.07231405,-11.14256198,0.454545455,-6.449035813,1.32231405,2.115702479,0.005948452,-0.002193893,-2.08E-04,8.10E-05,-4.70E-04,5.82E-04,-8.62E-04,-1.09E-05,5.40E-04,31.24384096,-2.215289543,-1.861789199,-0.227630584,-5.75064115,0.421536818,-8.309917576,2.15264989,17.49216559,48.49563818,-4.587290958,-7.490076907,0.055684925,-5.450498093,0.306409073,-8.547116775,0.975006802,26.92886883,0.049349653,-1.53E-04,0.002532464,-0.003398471,-0.009247396,-0.001252893,-0.009952804,0.00446865,0.009461983,0.215205539,-0.021880611,-0.0449662,-5.22E-04,-0.012508281,-0.001182996,-0.020908695,-0.002945809,0.105851321,1.187346531,-0.121156145,-0.263220727,-0.005846358,-0.05087283,-0.011611798,-0.086941855,-0.026986305,0.552143162,1.55785124,-0.025383707,0.029949848,-0.084839876,-0.285706718,0.013774105,-0.268709826,0.073461892,0.235078053,-0.368817366,-0.035003632,0.0136197,-0.07897636,0.097873255,-0.144883314,-0.001825968,0.090765369,-0.07090324,-0.059588999,-0.007285615,-0.184056792,0.013491837,-0.265969782,0.068898376,0.559859641,-0.094591826,-0.154448466,0.001148246,-0.112391512,0.006318281,-0.176245062,0.020105041,0.555284348,-0.003105134,0.051316747,-0.068865146,-0.187385239,-0.025388072,-0.201679319,0.090550792,0.191733536,-0.101673083,-0.208945363,-0.002425311,-0.058122488,-0.00549705,-0.097156863,-0.013688352,0.491861508,-0.102039415,-0.22168821,-0.004923885,-0.042845815,-0.00977962,-0.073223657,-0.022728247,0.465022761,-0.016294051,0.019225101,-0.054459549,-0.183397946,0.008841733,-0.172487474,0.047155909,0.15089891,1.135077582,0.797855537,1.211832858,1.446708298,0.864495639,1.223661238,0.197835805,1.49E-05,1.244484016,1.05569469,0.989714036,1.20506407,0.88791681,1.199686657,0.616457543,0,1.493214171,1.267214504,0.913415642,1.022947781,0.865720914,1.025825118,0.738534974,0,0.532603912,0.53828678,1.327215976,1.696966754,0.986099193,1.459025414,0.076454438,0,1.567567372,1.344764791,0.909999903,0.963734069,0.864727245,0.935068017,0.744000154,0,1.571413854,1.354213064,0.917184986,0.95885866,0.866817451,0.915649344,0.732504022,0,0.539787798,0.551197035,1.319607924,1.712507651,0.952365164,1.448856101,0.102122016,0,37.22104853,18.73552427,29.42292938,37.40854853,4.676068567,18.73552429,0.25,0.116499489,0.014562436,-1.719894717,275.8097311,34.47621638,4.495768998,37.22279243,18.736029,29.42350041,37.40974161,4.676217701,18.73602903,0.249265579,0.11648708,0.014560885,-1.71997993,278.7170086,34.83962607,4.504157569,38.78216686,19.19158619,29.94559517,38.48292101,4.810365126,19.19158621,-0.398994478,0.104701292,0.013087662,-1.805315055,72.95412513,9.119265641,3.431864657,37.22462271,18.73655876,29.42409976,37.41099381,4.676374227,18.73655878,0.2484948,0.116474055,0.014559257,-1.720069385,281.875975,35.23449687,4.513173735,40.46344662,19.69057618,30.53693207,39.65172592,4.95646574,19.69057619,-1.082294264,0.089904099,0.011238012,-1.927209395,52.79167525,6.598959407,3.17308281,37.40386498,18.78849958,29.48294421,37.53371562,4.691714452,18.78849961,0.173134186,0.115190506,0.014398813,-1.728934358,242.0135885,30.25169856,4.3911951,40.93938343,20.50936197,32.78183091,41.26478026,5.158097532,20.50936197,0.650793651,0.15352894,0.019191118,-1.499092956,39.43321185,4.929151481,2.939686721,0,11.89,15.99491639,-0.299204351,0.132440343,4.351026723,7.17426162,7,21,20,20,6,1,1,0,0,1,16.262898,3.565583698,3.200887349,2.741889019,2.371320247,1.728606449,1.5591798,1.223742743,0.083923071,1.873634209,1.690654469,1.399929379,1.01392566,0.80779802,0.584816148,0.184884023,0.083923071,3.533284046,3.215333646,2.769286707,2.323253799,1.794984857,1.525071195,1.309790353,0.270913902,1.835267102,1.627790588,1.316212036,0.948528023,0.675094686,0.447742307,0.280087344,0.270913902,3.671271752,3.383902498,2.99486376,2.621532778,2.165682784,1.967742744,1.786501438,0.943918427,1.653430105,1.396749841,1.020164633,0.587244391,0.226209531,0.055924231,0.230549861,0.943918427,3.537623993,3.23516383,2.800430513,2.334962075,1.855509213,1.548951129,1.364084089,0.399277246,1.814857398,1.587511255,1.262574713,0.912329163,0.587162223,0.376673951,0.259713146,0.399277246,3.709617417,3.452913734,3.089125495,2.704114234,2.324886939,2.091432366,1.955764307,1.207644823,1.611484673,1.330612521,0.928641268,0.497722366,0.070763683,0.20370514,0.362919891,1.207644823,4.899650658,3.39452382,3.173241095,2.810618936,2.141776767,1.931970834,1.552010074,0.6,1.729908917,1.459564644,1.119679737,0.651912814,0.446808586,0.188081449,0.492163963,0.6,0,0,0,1,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.102062073,0,0,0,0.49279928,0.348461713,0.288675135,0.174230856,0.12319982,0.102062073,6.405777394,3.808060412,2.655648531,1.747400241,0.756710003,0.49279928,0.144337567,0,0.800722174,0.54400863,0.379378362,0.291233373,0.189177501,0.164266427,0.144337567,0,5.736675415,3.325444489,1.995781916,1.203506421,0.550722174,0.322168784,0.125,0,0.717084427,0.475063498,0.285111702,0.200584404,0.137680544,0.107389595,0.125,0,11.50759373,21.54552076,20.42745098,20.72,13.07012096,169.3523066,0.523072442,0.979341853,0.928520499,0.941818182,0.594096407,7.697832118,2.1557,34.823,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,63,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,2,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.57069444,0.395231481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.924930556,0.802777778,0,0,0,0,0,0,0,0,0,0,4.014814815,0,3.685925926,0,0,0,0,0,0,0.395231481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.57069444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.57069444,0.395231481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.244722222,0.401388889,0,0,0,0,0,0,0,0,0,0,1.914675926,0,0.708333333,0,0,0,0,0,0,0.395231481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.57069444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.57069444,0.395231481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.100138889,0,1.130694444,0,0,0,0,0,0,0.395231481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.57069444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.66666667,2.333333333,0.48125,10.57069444,0.244722222,0.395231481,3.455288657,1.271435185,3.570694444,7.341666667,1.271435185,3.570694444,7.341666667,3.83333,0.47917,0,0.02083,0.4803,0.79583,0.42308,0.4803,0.79583,0.05723,0,-0.05723,0,0.60209,0.1122,0,0.34783,0.13043,0,5.25,0.65625,3.75,0.46875,1.5,0.1875,-2.25,-0.28125,0,0,6.52432,0.81554,8.4771,1.95278,0.2441,3.11989,0.38999,3.80805,0.68816,0.08602,0.10595,0.01324,0.10595,0.01324,0,7.01,1,1,1,1,0,0,0.857142857,1.143320102,1.763842123,3.027169118,3.663532755,3.447401505,2.749400206,25.15304225,38.8045267,66.59772061,80.59772061,75.8428331,60.48680453,0.256382472,0.395530703,0.67882398,0.821524595,0.773058497,0.616536017,3.316111517,2.695589496,1.4322625,0.795898864,1.012030114,1.710031413,0.256382472,0.395530703,0.67882398,0.821524595,0.773058497,0.616536017,9.968326343,17.41459059,21.68566906,22.32701226,19.73343726,16.80184442,29.50877429,19.9690069,16.77974004,15.0028605,18.40974974,18.43927216,8,5.142857143,5,8,1,7,2.12,1.1106,0.166666667,3.1345913,0.707106781,0,3.14734519,2.555772417,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,3.887,7,6,4,3,1,0,0,0,0,36,2.197224577,2.302585093,2.197224577,1.791759469,1.609437912,0.693147181,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.666666667,0.25,0.16,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.041666667,0.04,0.018518519,0,0,0,0,0,0.409708995,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,17.07,135.7821191,4,3.36729583,4.007333185,4.691347882,5.361292166,6.052089169,6.72982407,7.422373701,8.102586425,8.795582217,69.52972465,2.708050201,0,3.761200116,0,4.990432587,0,6.289715571,0,7.623153068,7.934871566,114.1044651,5.186566594,14.66013744,1.832517181,2.433864819,2.433864819,0,76,6,1.829,28,1.233333333,2.127905567,2.879896794,3.63551837,4.936563285,5.925987775,7.177108443,8.008513905,0,0,82.62061363,84.68613563,85.38376739,103.3161988,113.7541838,90.54473378,35.73372076,8.137162673,0,0,286.274389,326.4421231,346.3740141,454.2969245,516.6783103,568.7686549,437.6070378,248.9345995,0,0,9.129617831,15.44937041,21.10770807,26.76765342,35.5080899,42.99181643,49.24275302,53.80491237,0,0,2.113145198,2.618596231,2.858159401,3.792643713,4.514781568,5.25594238,4.906412409,3.560688631,0,0,177.4424221,332.3311183,476.9736832,591.9576134,825.8263271,990.6086869,1245.640117,1480.915588,0,0,3.063896825,4.574144779,6.838068941,8.619860808,10.52504107,12.74952383,9.741463118,8.008513905,0,0,0.449709286,0.578472985,0.65530445,0.86223054,1.02709194,1.194862584,1.087791108,0.820071824,0,0,375.7713951,197.4023591,10.37706314,169.6363249,-89.11431566,-17.28061241,206.1350702,286.5166747,27.65767555,0.68897337,0.361935396,0.019026249,0.31102663,-0.163390272,-0.031683843,204.9486198,107.6647706,5.659730347,92.52096119,-48.60363572,-9.424979413,0.251973787,0.569516296,1.331271613,16.81928709,515.8751373,29.53258265,0.945852283,0.054147717,506.3771674,22.50282577,7.970606549,641.9956726,25.33763352,8.626686854,831.0706241,28.82829555,9.401835405,2.483911476,2.483911476,722.8888428,671.1683954,71.77907681,1.077060314,10.07102452,9.350474054,4.240841685,4.506257365,8.777254584,0.947792563,3.917822784,5.778255412,3.137181033,13.16478661,7.455042262,0.598668446,2.64881756,11.19747693,6.751075494,5.574549428,0.771859698,5.823275525,7.356760049,0.300943609,3.684139463,0.978442893,0.014004168,4.12E-23,2.34E-65,2.56E-129,5.42E-215,2.17E-322,0,0,0,0,0,0,0,0,0.345289482,5.778031215,0.254782075,5.326042084,0.256778836,0.059497692,0.582365733,0.553520217,3.198017695,0.179705622,0.064732105,0.310315246,0.363030541,0.158726677,0.30898758,0.006891253,9.86E-05,2.90E-25,1.65E-67,1.81E-131,3.81E-217,0,0,0,0,0,0,0,0,0,1.067258616,5.777928829,0.679956096,5.528425395,0.824116385,0.10747771,0.976781437,1.834404639,3.045354744,0.76491044,0.205624895,1.051309743,1.339516533,0.168229882,0.997579197,0.071812173,0.001027827,3.03E-24,1.72E-66,1.88E-130,3.97E-216,2.0E-323,0,0,0,0,0,0,0,0,3.70321596,5.778289294,3.246850862,12.84738049,7.270661511,0.725451202,2.537769511,10.7106167,6.727382067,5.073478116,0.727445838,5.349816989,6.76903061,0.285329432,3.477391675,0.871775003,0.012477461,3.67E-23,2.09E-65,2.28E-129,4.82E-215,2.0E-322,0,0,0,0,0,0,0,0,1.565367409,5.777907687,0.93309602,6.027864734,1.335511205,0.112764917,1.256964204,2.856722076,3.227216623,1.316869041,0.303342678,1.674091273,2.143779523,0.180551298,1.470379332,0.155985635,0.002232577,6.57E-24,3.73E-66,4.09E-130,8.63E-216,4.0E-323,0,0,0,0,0,0,0,0,4.731361413,5.77842984,4.158356562,16.93096766,10.77855222,0.873922852,3.131420632,15.26003411,8.403662117,7.683545901,0.938066717,7.730650677,9.714046829,0.366599124,4.449773581,1.426967004,0.020423763,6.01E-23,3.41E-65,3.74E-129,7.90E-215,3.16E-322,0,0,0,0,0,0,0,0,2.465203933,5.371652532,3.641897456,11.94257471,6.353859048,1.351730385,1.821416952,7.803480216,8.788044313,2.436630988,0.413941941,3.192958108,3.687009664,0.278675061,2.651659268,0.352239442,0.0050415,1.48E-23,8.43E-66,9.23E-130,1.95E-215,7.9E-323,0,0,0,0,0,0,0,0,7.663366577,0.856066164,0.452338377,0.854164298,0.095417744,0.581225047,0.560504384,0.545435764,8.971771118,10.41401521,22.35328387,0.781246447,1.687165195,5.838388429,0.564423838,0.087846848,0.899506248,0.086959402,0.338127905,0.23626778,0.020571649,6.490659114,3.857792477,10.63793556,0.849259372,0.594967335,6.747779245,0.616036105,0.234278744,0.888088402,0.081077715,0.45061672,0.29006773,0.146312865,7.598094094,5.882061055,14.45402275,0.832132604,0.886997315,7.526391002,0.864646273,0.435977007,0.852654223,0.097954557,0.560594061,0.571965755,0.50669184,8.827014282,10.16596524,21.83017224,0.778981334,1.639251656,7.131101848,0.657733153,0.304005241,0.881161821,0.081273463,0.503275155,0.330937146,0.246364927,8.092840242,7.058208763,16.57694367,0.821742732,1.080577228,7.751915253,0.893081155,0.478484324,0.849666425,0.097888205,0.59473376,0.610028424,0.610312364,9.123480732,11.05958469,23.49565519,0.774499637,1.815074548,7.535835847,0.868980529,0.435662308,0.85242396,0.098295642,0.561999613,0.577690551,0.505960619,8.840478684,10.21015632,21.90356729,0.77863594,1.645650784 +UMLYSI0318,L,"2,2-dimethylpropanal",CC(C)(C)C=O,saturated aldehyde,C5H10O,630-19-3,12417,PubChem,,30.6,0,1.3638,1.85995044,25.4207,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,890.291353,1204.091163,939.704607,181.721232,0,0,0,0,2644.81273,3144.163273,4352.964407,4350.286997,1857.137475,0,0,0,0,118.238936,111.372268,196.390644,243.630612,327.105216,0,0,0,0,19.03383305,23.6303831,33.74446723,37.4243493,20.81897645,0,0,0,0,2668.599586,2191.74623,4294.778087,5053.706417,8323.693963,0,0,0,0,76.5625,44,61.25,102,99,0,0,0,0,61.71557788,59.35275687,44.595969,28.47589718,4.0382496,0,0,0,0,165.3007956,209.6108849,161.220904,131.8268787,41.26972167,0,0,0,0,7.3899335,7.424817867,7.273727556,7.382745818,7.2690048,0,0,0,0,1.189614566,1.575358873,1.249795083,1.134071191,0.462643921,0,0,0,0,166.7874742,146.1164153,159.0658551,153.1426187,184.970977,0,0,0,0,4.78515625,2.933333333,2.268518519,3.090909091,2.2,0,0,0,0,0.131968357,-0.036901274,-0.037552821,0.035637676,-0.027167759,0,0,0,0,523.7576238,-43.92541314,169.7732304,-658.8811971,271.154568,0,0,0,0,766.4429154,-94.95499335,323.5582347,-1424.3249,812.5002012,0,0,0,0,1.03666,-0.00156025,0.01106375,-0.02340375,-0.50442975,0,0,0,0,3.391946473,-0.464107523,1.457112202,-6.961612852,4.272634936,0,0,0,0,18.82152525,-2.587911668,7.92310302,-38.81867502,24.07272104,0,0,0,0,33.49609375,-0.937744141,1.444091797,-1.128662109,-16.12573242,0,0,0,0,0.008248022,-0.002460085,-0.001390845,0.00107993,-6.04E-04,0,0,0,0,32.73485148,-2.928360876,6.287897423,-19.96609688,6.025657066,0,0,0,0,47.90268221,-6.33033289,11.98363832,-43.16136061,18.05556003,0,0,0,0,0.06479125,-1.04E-04,4.10E-04,-7.09E-04,-0.01120955,0,0,0,0,0.211996655,-0.030940502,0.053967119,-0.210957965,0.094947443,0,0,0,0,1.176345328,-0.172527445,0.29344826,-1.176323486,0.534949357,0,0,0,0,2.093505859,-0.062516276,0.053484881,-0.034201882,-0.358349609,0,0,0,0,-0.298263615,-0.168627725,0.130931943,-0.073196696,0,0,0,0,-0.089456978,0.192085717,-0.609933938,0.184074672,0,0,0,0,-0.132149863,0.250166332,-0.901021793,0.376921692,0,0,0,0,-0.001605412,0.006324442,-0.010945993,-0.173010244,0,0,0,0,-0.145948065,0.254565897,-0.995100445,0.447872365,0,0,0,0,-0.146663943,0.249457581,-0.999981432,0.454755371,0,0,0,0,-0.029862002,0.025547997,-0.016337132,-0.171172012,0,0,0,0,0.999169274,0.78131645,0.79293748,1.283332886,0,0,0,0,1.170927332,0.769702037,1.596719089,0.643609002,0,0,0,0,1.491123972,0.858645548,2.033350871,0.163314042,0,0,0,0,0.512040592,0.586677942,0.698237171,1.631939112,0,0,0,0,1.594610489,0.887391802,2.174468849,0.008084267,0,0,0,0,1.599979575,0.888883215,2.181790329,3.06E-05,0,0,0,0,0.556034985,0.577907353,0.712430427,1.61212828,0,0,0,0,16.91487481,8.582437407,12.02042014,17.08154148,2.84692358,8.582926453,0.25,0.058377691,0.009729615,-1.704492883,20.94634681,3.491057801,1.825178553,16.91660509,8.582935334,12.02145338,17.08278214,2.847130357,8.583424037,0.249265579,0.058300306,0.009716718,-1.705288759,20.94266049,3.490443414,1.82507295,18.44972517,9.025365346,13.03598914,18.18372885,3.030621475,9.025641926,-0.398994478,0.010970269,0.001828378,-2.7075399,18.99632037,3.166053395,1.766547177,16.91842104,8.583457919,12.02253804,17.08408424,2.847347373,8.583946263,0.2484948,0.058219081,0.00970318,-1.706125274,20.93879588,3.489799313,1.82496222,20.0756899,9.496697816,14.3081069,19.35416039,3.225693398,9.49686005,-1.082294264,0.075674317,0.012612386,-1.548789868,19.04101405,3.173502341,1.767957172,17.09605894,8.634596565,12.12997283,17.21148174,2.868580289,8.635051382,0.173134186,0.050232992,0.008372165,-1.794649957,20.58133685,3.430222808,1.814630812,22.36132825,11.1775257,15.47599901,22.54656634,3.757761057,11.17756424,0.555714286,0.118654736,0.019775789,-1.278922428,23.19003352,3.865005586,1.886233558,0,11.9887401,16.00592442,-0.388191377,0.210964825,3.766613689,7.791002329,5,15,14,14,4,1,1,0,0,1,11.89007,3.563720396,2.725766974,2.333552793,2.333552793,0.76903321,0.335240176,0.083923071,0.083923071,1.867108865,1.249629723,1.249629723,1.026776776,0.083923071,0.083923071,0.083923071,0.083923071,3.543886436,2.569314892,2.405454588,2.405454588,0.657184664,0.389238829,0.270913902,0.270913902,1.829523289,1.134540686,1.134540686,1.073474624,0.270913902,0.270913902,0.270913902,0.270913902,3.669234143,2.872937448,2.704236987,2.704236987,1.102253633,0.961867332,0.943918427,0.943918427,1.657757823,0.76031856,0.76031856,0.730035098,0.943918427,0.943918427,0.943918427,0.943918427,3.550197859,2.536062692,2.457539916,2.457539916,0.672213326,0.423351893,0.399277246,0.399277246,1.808410098,1.09462166,1.058262671,1.058262671,0.399277246,0.399277246,0.399277246,0.399277246,3.708100732,2.900320219,2.838982085,2.838982085,1.208174515,1.207644823,1.207644823,1.207644823,1.617351303,0.69205956,0.631337262,0.631337262,1.117491116,1.207644823,1.207644823,1.207644823,4.576605933,3.340936645,2.56382137,2.56382137,1.542854684,0.58554532,0.540540541,0.540540541,1.765443788,0.942199748,0.942199748,0.577796091,0.540540541,0.540540541,0.540540541,0.540540541,0,0,1,0,0,3,0,0,1,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.366025404,0.288675135,0,0,1.060660172,0.353553391,0,0.353553391,0.11785113,0,5.207106781,2.560660172,2.914213562,1.060660172,0,0,0,0,0.86785113,0.512132034,0.416316223,0.353553391,0,0,0,0,4.48559856,2.024377395,2.483876534,0.353553391,0,0,0,0,0.74759976,0.404875479,0.354839505,0.11785113,0,0,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,1.2314,25.519,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,24,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,0,0,1,0,0,0,0,0,0,0,0,3,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.826388889,0.9375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.554166667,0,0,0.917708333,0,0,0.554166667,0,0,0,0,0,0,0,0,5.625,0,0,0,0.9375,0,0,0,0,0,0,0,-0.138888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.826388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.826388889,0.9375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.554166667,0,0,0.305902778,0,0,0.554166667,0,0,0,0,0,0,0,0,1.875,0,0,0,0.9375,0,0,0,0,0,0,0,-0.138888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.826388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.826388889,0.9375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.554166667,0,0,0.305902778,0,0,0.554166667,0,0,0,0,0,0,0,0,1.875,0,0,0,0.9375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.826388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.25,2.708333333,0.626736111,9.826388889,0.201388889,-0.138888889,2.658472222,1.388888889,2.826388889,5.652777778,1.388888889,2.826388889,5.652777778,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.42,0.49792,0.82778,0.07792,0,-0.07792,0,0.57047,0.14382,0,0.64706,0,0.17647,4.25,0.70833,2.75,0.45833,1.5,0.25,-1.25,-0.20833,0,0,4.49806,0.74968,6.37132,1.87326,0.31221,1.87733,0.31289,2.56066,0.68333,0.11389,0.35334,0.05889,0.35334,0.05889,0,5.01,1,1,1,1,0,0,0.8,1.198192411,1.919736718,1.919736718,1.669736718,0.966917187,0,19.17107858,30.71578748,30.71578748,26.71578748,15.47067499,0,0.299548103,0.479934179,0.479934179,0.417434179,0.241729297,0,2.801807589,2.080263282,2.080263282,2.330263282,3.033082813,4,0.299548103,0.479934179,0.479934179,0.417434179,0.241729297,0,10.71860945,16.15509011,16.15509011,13.15509011,4.721255742,0,21.96987352,17.60300624,17.60300624,16.10300624,6.45225468,0,6,1.632653061,5.333333333,6,1,3,1.9,0.8288,1.5,1.5,0,3,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.474,0.462,0.543,0.15,2.5,7,3,0,0,0,0,0,0,0,21,1.945910149,2.197224577,1.945910149,0,0,0,0,0,0,0,3.295836866,1.238095238,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,3,0.5,3,0.666666667,0,0,0,0,0,0,0,0,0.6,0.095238095,0,0,0,0,0,0,0,0,0.695238095,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,17.07,101.1901498,3.584962501,3.218875825,3.80666249,4.634728988,5.252273428,6.084499413,6.708084084,7.5416831,8.166500319,9.000483165,65.41379081,2.397895273,0,3.663561646,0,5.081404365,0,6.532334292,0,7.989899375,8.256088134,86.07316494,5.379572809,10.46599026,1.74433171,2.332106781,2.332106781,0,28,3,1.081,24,1.227733333,2.124605585,2.981429419,3.41320541,0,0,0,0,0,0,82.91488771,108.0422823,88.1158681,14.21458486,0,0,0,0,0,0,281.1234338,377.2439105,396.3913133,142.3153861,0,0,0,0,0,0,9.144762152,15.54277376,22.06323885,24.8891584,0,0,0,0,0,0,2.064173673,2.85924073,3.385187395,1.581671424,0,0,0,0,0,0,177.3432529,332.5671012,456.5878532,631.3515476,0,0,0,0,0,0,3.624466667,5.105292175,9.429725554,7.680269505,0,0,0,0,0,0,0.444661,0.622471844,0.784880395,0.422336794,0,0,0,0,0,0,228.4649953,105.7349364,8.670120434,80.46505631,-37.23969879,-14.7619044,147.999939,142.9746352,23.43202484,0.739536326,0.342261738,0.028064995,0.260463674,-0.120544112,-0.04778397,70.57970282,32.66469936,2.678460753,24.858074,-11.50446207,-4.56039589,0.270099357,0.653092788,2.548278159,27.45262751,266.8952474,42.03480423,0.863934234,0.136065766,381.0567412,19.52067471,7.249864389,477.927102,21.86154391,7.818448017,613.5750839,24.77044779,8.497462144,1.121422134,1.021954156,181.093985,179.0134037,110.5167436,1.011622489,1.638611301,1.619785363,3.342378442,2.386462198,4.277672033,0.792474248,2.80222057,3.837751193,3.715202476,12.12337329,2.343211349,3.411162518,2.670117081,0.013067864,3.27E-23,1.69E-65,1.76E-129,3.64E-215,1.5E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.251664719,3.837622866,0.197579115,6.602692389,2.384008122,0.758454776,0.083073571,0.00143985,3.66E-24,1.89E-66,1.96E-130,4.06E-216,1.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765026468,3.837513917,0.567583169,7.450378446,1.348280493,0.795652278,0.269755338,0.002506493,6.34E-24,3.27E-66,3.40E-130,7.04E-216,2.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650178473,3.837795546,3.71450206,12.26988598,2.878559186,4.124076868,2.603010457,0.016340605,4.11E-23,2.12E-65,2.21E-129,4.57E-215,1.9E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.11993283,3.837484407,0.839276342,8.009732256,0.988523189,0.757459807,0.445510566,0.002499271,6.27E-24,3.24E-66,3.37E-130,6.97E-216,2.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.384110175,3.837881631,5.195138653,13.78628808,2.927836599,4.872800208,3.895404992,0.01908531,4.78E-23,2.47E-65,2.57E-129,5.31E-215,2.17E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.683863133,2.803905455,2.864510655,12.82461409,7.485212851,6.79764374,1.85580544,0.02637642,6.69E-23,3.46E-65,3.59E-129,7.44E-215,3.0E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.374454855,1.24900929,1.232447256,0.356453952,0.32392064,0.547774962,0.473729477,0.409950985,3.855911401,4.949988068,10.92165015,0.034680927,1.431455424,1.676470025,0.654906872,0.629892347,0.566132252,0.22115749,0.71541938,0.112419071,0.119345648,2.961269244,2.566448206,6.219296252,0.349198378,0.947184098,1.228859066,0.966085806,0.910911811,0.395658651,0.311052925,0.383306717,0.240389339,0.249512307,3.105856683,3.18658451,7.373860484,0.093487977,0.873208364,1.388960046,1.278529038,1.20693501,0.358494582,0.329992021,0.523525499,0.419282207,0.438027476,3.874424094,4.995311715,11.01304208,0.037741873,1.380835182,1.13548599,1.065876204,1.03866322,0.35045589,0.328971557,0.380176694,0.305936842,0.324802611,3.240025413,3.49676144,7.993867961,0.025683835,1.010916146,1.417104859,1.284590045,1.268089325,0.356972767,0.323591906,0.58288374,0.501228828,0.434396124,3.969784228,5.246389259,11.52460176,0.03545915,1.518508692,1.394419274,1.280496152,1.207192476,0.359191272,0.329845585,0.523772857,0.419181457,0.438210998,3.882107903,5.014686292,11.05229493,0.038786908,1.381165313 +UMLYSI0319,L,isobutyl formate,CC(C)COC=O,saturated esters,C5H10O2,542-55-2,10957,PubChem,,30.4,0,0.4245,0.18020025,26.6241,17.07193,0,0,17,7,10,0,5,0,2,0,0,0,0,0,0,0,1243.417247,1130.35521,1229.986858,975.046264,657.291815,498.327738,102.858336,0,0,2861.203507,3326.105375,4020.9314,3842.384705,2750.271705,1636.44931,678.5842503,0,0,131.590652,123.89952,216.755536,236.096056,269.644196,93.198456,97.137792,0,0,19.67703705,23.5201631,30.63849369,32.05593311,23.64846932,12.56641537,5.876285345,0,0,2854.050872,2371.638531,4565.480734,5160.678241,6447.757346,1901.768967,2220.611572,0,0,87.27777778,51.91666667,82.83333333,73.16666667,78.66666667,52,48,0,0,73.142191,70.64720063,43.92810207,30.47019575,18.25810597,41.5273115,8.571528,0,0,168.3060886,207.8815859,143.6046928,120.074522,76.39643626,136.3707758,56.54868753,0,0,7.740626588,7.74372,7.741269143,7.37800175,7.490116556,7.766538,8.094816,0,0,1.157472768,1.470010194,1.094231917,1.00174791,0.656901926,1.047201281,0.489690445,0,0,167.8853454,148.2274082,163.0528834,161.271195,179.1043707,158.4807473,185.0509644,0,0,5.133986928,3.244791667,2.958333333,2.286458333,2.185185185,4.333333333,4,0,0,0.276913646,-0.131308639,-0.014820892,0.037423654,-0.05781199,0.046543892,-0.018482849,0,0,629.8202065,-12.09745997,-51.03696848,-204.2753588,247.3518639,-145.1168766,-149.7353033,0,0,780.5766247,-146.4197851,-33.45002731,-576.6596382,643.9149755,-338.2739811,60.60014388,0,0,1.881607059,-0.015005232,0.407843668,0.089372595,-0.556360595,-0.129675336,-0.73697863,0,0,3.424768994,-1.080059213,0.353630038,-3.147563629,3.067560471,-1.814092288,0.908140123,0,0,19.34959846,-6.628413839,3.018790911,-18.04542656,16.70223724,-10.43960534,5.717618362,0,0,36.66339869,0.62562476,6.590349865,1.355824683,-5.104190696,-1.997693195,-19.80161476,0,0,0.016289038,-0.00820679,-5.29E-04,0.001169489,-0.001605889,0.003878658,-0.001540237,0,0,37.04824744,-0.756091248,-1.822748874,-6.383604962,6.870885108,-12.09307305,-12.47794194,0,0,45.91627204,-9.151236571,-1.194643832,-18.02061369,17.8865271,-28.18949843,5.05001199,0,0,0.110682768,-9.38E-04,0.014565845,0.002792894,-0.015454461,-0.010806278,-0.061414886,0,0,0.201457,-0.067503701,0.012629644,-0.098361363,0.085210013,-0.151174357,0.075678344,0,0,1.138211674,-0.414275865,0.107813961,-0.56391958,0.463951034,-0.869967112,0.476468197,0,0,2.156670511,0.039101547,0.235369638,0.042369521,-0.141783075,-0.166474433,-1.650134564,0,0,-0.503822873,-0.032495324,0.071796086,-0.098587075,0.238114596,-0.094556682,0,0,-0.020408287,-0.049199328,-0.17230518,0.185457763,-0.326414173,-0.336802489,0,0,-0.199302691,-0.026017875,-0.392466829,0.389546588,-0.613932647,0.109983058,0,0,-0.008473107,0.131599937,0.025233319,-0.139628428,-0.097632885,-0.554873056,0,0,-0.335077465,0.062691514,-0.488249917,0.422968739,-0.750405087,0.375655071,0,0,-0.363970845,0.094722242,-0.495443504,0.407614019,-0.764328052,0.418611237,0,0,0.018130515,0.10913565,0.019645802,-0.065741649,-0.07719048,-0.765130582,0,0,1.440281846,0.881132061,0.562143823,1.01518535,1.378287273,1.434089211,0,0,0.99899345,1.019134642,1.02120282,0.72538402,1.296736675,1.427264979,0,0,1.508256898,1.041222667,1.429780882,0.328042841,1.668308491,0.427618545,0,0,0.720275784,0.849838284,0.538348321,1.168581217,1.051051896,2.397618556,0,0,1.799320607,0.992535337,1.562194004,0.188984038,1.86416918,0.021351435,0,0,1.84360627,0.97006904,1.557508816,0.189448501,1.889915397,7.95E-05,0,0,0.542472591,0.589013536,0.376359301,0.865060265,1.709243248,3.927622783,0,0,24.86465805,12.68232903,19.94611929,25.22180091,3.603114416,12.68233947,0.5,0.08106362,0.011580517,-1.758764697,32.0077053,4.572529329,2.426183665,24.87625061,12.68739088,19.9548473,25.23234429,3.604620613,12.68740127,0.498531158,0.080771506,0.011538787,-1.761291719,32.11113994,4.587305706,2.428442106,35.22708385,17.21454745,28.08475182,34.65709174,4.951013106,17.21454753,-0.797988956,0.096981175,0.013854454,-1.633266873,21.72153011,3.103075731,2.154812758,24.8884175,12.69270355,19.9640091,25.24341007,3.606201439,12.69271388,0.4969896,0.080465206,0.011495029,-1.763951289,32.22119204,4.603027435,2.430837062,46.28304773,22.0592296,37.10208967,44.73691306,6.390987581,22.0592296,-2.164588529,0.186224851,0.02660355,-1.176560322,20.91588415,2.98798345,2.128356214,26.08011931,13.21319384,20.8677971,26.32745386,3.761064837,13.21319973,0.346268372,0.051856681,0.007408097,-2.07149005,98.90291319,14.1289876,3.215897086,26.62066964,13.51713619,21.69972427,27.08784651,3.869692359,13.51714177,1.090079365,0.242817644,0.034688235,-0.990811187,18.13980789,2.591401128,2.028676198,0,11.98873999,16.00602406,-0.344468827,0.322602856,3.046687981,6.971379094,6,16,15,15,5,1,1,0,0,1,13.80607,3.475746761,3.133685529,2.377738375,2.333552793,1.229155275,0.88697379,0.401511854,0.083923071,1.829139065,1.285073133,1.249629723,0.999455397,0.39139376,0.083923071,0.083923071,0.083923071,3.4360476,2.94944216,2.405454588,2.329906206,1.180157041,0.605966874,0.375201294,0.270913902,1.787342238,1.3737236,1.134540686,0.962937685,0.239463835,0.270913902,0.270913902,0.270913902,3.600569516,3.237419417,2.704236987,2.629854866,1.646759573,1.228474843,1.030414056,0.943918427,1.581234811,1.048199365,0.76031856,0.601262421,0.294203598,0.943918427,0.943918427,0.943918427,3.445182446,2.891511265,2.457539916,2.345834159,1.247402489,0.460331457,0.417568903,0.399277246,1.76731234,1.416928856,1.058262671,0.926723762,0.139277736,0.399277246,0.399277246,0.399277246,3.644325003,3.240152553,2.838982085,2.717085002,1.829124188,1.20895283,1.208035068,1.207644823,1.530407031,1.039819263,0.631337262,0.509991585,0.481894673,1.207644823,1.207644823,1.207644823,4.738116898,3.471372754,2.89625799,2.60407788,1.897750201,1.287741732,1.027316394,0.566037736,1.715538964,0.949024037,0.905964672,0.544914644,0.033606626,0.566037736,0.566037736,0.566037736,0,0,0,0,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.204124145,0.204124145,0.166666667,0.096225045,0.03928371,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,4.6783039,2.323028484,1.823405228,0.49759976,0.2317338,0.07856742,0,0,0.668329129,0.387171414,0.303900871,0.12439994,0.0772446,0.03928371,0,0,9.138737228,17.10050983,16.3254902,16.6,9.953251497,131.4503174,0.537572778,1.005912343,0.960322953,0.976470588,0.585485382,7.73237161,0.8154,26.854,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,0,0,1,0,0,0,0,0,0,0,0,2,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.90143519,0.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.824097222,0,0,1.547083333,0,0,0.824097222,0,0,0,0,0,0,0,0,3.979166667,0,0.53125,0,0.472222222,0,0.449259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.487083333,4.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.414351852,0.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.824097222,0,0,0.307222222,0,0,0.824097222,0,0,0,0,0,0,0,0,1.989583333,0,0.53125,0,0.472222222,0,0.449259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.487083333,4.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.487083333,0.472222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.824097222,0,0,0.555902778,0,0,0.824097222,0,0,0,0,0,0,0,0,1.989583333,0,0.53125,0,0.472222222,0,0.449259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.487083333,4.414351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.33333333,2.761904762,0.824097222,9.487083333,0.307222222,0.449259259,2.298219907,1.527777778,2.487083333,6.80287037,1.527777778,2.487083333,6.80287037,3.16666,0.45238,0,0.04762,0.5549,0.91905,0.42174,0.5549,0.91905,0.13316,0,-0.13316,0,0.49223,0.22206,0,0.42105,0.1579,0,5.25,0.75,3.75,0.53571,1.5,0.21429,-2.25,-0.32143,0,0,4.54355,0.64908,7.02591,2.48236,0.35462,2.16757,0.30965,3.27005,1.10248,0.1575,0.14395,0.02056,0.14395,0.02056,0,6.02,2,2,2,2,0,0,0.8,1.332820405,2.291620193,2.939829017,2.939829017,2.699390027,1.855281123,22.65794688,38.95754329,49.9770933,49.9770933,45.88963046,31.53977909,0.326075235,0.560646123,0.719230763,0.719230763,0.660407233,0.453895533,2.754642437,1.795842648,1.147633824,1.147633824,1.388072814,2.232181718,0.326075235,0.560646123,0.719230763,0.719230763,0.660407233,0.453895533,12.49498498,21.4380538,22.09133488,22.09133488,19.20606699,12.10892476,25.89308809,17.14593369,16.92280201,16.92280201,15.48016806,11.38756035,7,4.166666667,6,7,3,3,1.79,0.8875,0.5,1.414213562,2,0,0.5,1.154700538,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.446,0.438,0.543,0.057,2.654,6,4,3,2,0,0,0,0,0,28,2.079441542,2.079441542,1.791759469,1.609437912,1.609437912,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,26.3,109.9803765,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,102.0680796,6.00400468,12.67036528,1.810052182,5.18631878,5.18631878,0,52,4,1.083,24,1.2279375,2.11001196,2.885406071,3.473304747,4.787981512,5.317917178,0,0,0,0,97.03488043,102.0397956,98.25145243,77.43453376,216.5382194,48.14964853,0,0,0,0,275.4527087,325.2429429,364.3313914,297.5723843,674.2019238,309.3729635,0,0,0,0,9.580352237,16.41419051,21.40977696,26.27804029,37.47366944,43.51517731,0,0,0,0,1.901496662,2.436633975,2.968927217,2.447003048,5.062186039,2.619448348,0,0,0,0,180.5610519,340.4785921,463.1268711,617.4469538,757.5502013,984.130995,0,0,0,0,4.075760417,6.451517005,6.896095613,8.145911841,21.92260609,22.29092016,0,0,0,0,0.446018906,0.578724881,0.706642916,0.628670372,1.29994598,0.834227303,0,0,0,0,241.1877256,176.5455118,15.67974575,82.77682672,-60.5912975,-19.10429535,158.4108989,237.1368093,34.7840411,0.744488012,0.544953176,0.048399572,0.255511988,-0.18703064,-0.058970326,78.13627358,57.1944877,5.079681812,26.81675761,-19.62943257,-6.189114492,0.339030429,0.434441824,9.446576109,4.305598652,230.9983626,92.96618979,0.71303592,0.28696408,522.7457335,22.86363343,8.055580321,619.6160943,24.89208899,8.525258636,811.5072533,28.48696638,9.327475894,1.588449215,1.361665077,459.3977045,413.1884143,69.91108133,1.111835881,6.57117149,5.910199163,3.817878377,3.393689965,6.490574668,0.912542022,2.802231592,3.30101938,4.112894564,10.89128073,1.883364741,4.141209532,3.515224654,3.173463784,1.224904042,2.722880527,0.263193175,1.98230155,1.07E-11,1.12E-44,2.25E-99,8.74E-176,6.54E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2516794,3.45206021,0.401315131,3.613548619,0.068989929,1.295793899,0.8882393,0.879722483,0.36200338,0.074045754,0.179725585,0.221597449,1.20E-12,1.25E-45,2.52E-100,9.77E-177,7.32E-275,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765034346,3.170972567,0.812157055,4.56618388,0.177690666,1.511594014,1.134675263,1.033515121,0.414495913,0.340582702,0.115160005,0.383870741,2.08E-12,2.17E-45,4.36E-100,1.69E-176,1.27E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650193139,3.451591442,4.741982782,10.64071043,1.70215296,4.10486719,3.277323137,3.223971417,1.262812974,2.464247896,0.339772448,2.48984433,1.35E-11,1.41E-44,2.83E-99,1.10E-175,8.22E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,1.119938123,3.064164241,0.95197392,5.303118357,0.330003065,1.752778339,1.383461364,1.232253113,0.484865629,0.6048227,0.086001943,0.380103771,2.06E-12,2.15E-45,4.32E-100,1.68E-176,1.25E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,3.384123505,3.396457047,5.791120937,13.44029149,2.719189183,5.212464215,4.613094934,3.919331977,1.504882328,3.792620429,0.353463793,2.895168918,1.57E-11,1.63E-44,3.29E-99,1.28E-175,9.56E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,1.697557092,3.035841696,4.848234967,7.733364828,0.70163078,3.787801287,2.090107688,3.214146486,1.714810037,1.103258065,0.866544124,4.445888132,2.41E-11,2.51E-44,5.05E-99,1.96E-175,1.47E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,3.473487255,1.250530475,0.464243967,0.669489601,0.241030724,0.446089876,0.478460917,0.387760348,5.188261697,6.536798399,13.74159739,0.504234402,1.312311141,4.599082505,0.574315373,0.124796606,0.868047128,0.108398318,0.772150123,0.090642299,0.024819251,5.298194483,3.28694628,8.914769007,0.802070692,0.887611674,3.645434242,0.896116743,0.262488934,0.758826801,0.186533992,0.485111904,0.235197135,0.11810902,4.804039919,4.458841537,10.12036316,0.638240201,0.838418059,3.695126856,1.1950615,0.44196603,0.692989473,0.224123574,0.500878165,0.428007579,0.34377673,5.332154387,6.577200981,13.86103486,0.539484209,1.272662474,3.300662461,1.043367515,0.331984058,0.705870948,0.223131819,0.401328295,0.330746054,0.196522928,4.676014034,4.885952689,10.70525475,0.558806423,0.928597278,3.519769495,1.2841473,0.48655291,0.66530378,0.24272841,0.45805761,0.504458525,0.425863892,5.290469705,6.857262191,14.34690361,0.497955671,1.388380028,3.743477896,1.208895615,0.444559827,0.693630561,0.223996766,0.514226373,0.438407727,0.348784856,5.396933337,6.727100322,14.1358776,0.540445841,1.301418955 +UMLYSI0320,L,n-hexane,CCCCCC,linear alkanes,C6H14,110-54-3,8058,PubChem,,30.4,0,-1.0494,1.10124036,23.4438,19.895102,0,0,20,6,14,0,6,0,0,0,0,0,0,0,0,0,879.809622,890.819837,853.57306,675.105483,478.348754,281.592025,84.835296,9.144576,0,2976.273833,3723.897138,4529.110611,4081.819666,3075.021321,2068.222976,1061.424631,279.7536999,0,139.301592,137.349428,253.934608,311.98206,249.09716,186.21226,123.32736,60.466176,0,22.95798067,29.53412034,40.09970387,39.0812073,30.05967844,21.03814958,12.01662072,4.001516144,0,3349.613265,2777.687448,5725.049994,7574.612576,6095.657421,4616.702266,3137.747111,1664.258868,0,31,36.75,55.5,61.25,49,37,24,9,0,43.9904811,46.88525458,23.71036278,15.00234407,13.28746539,10.42933426,4.713072,1.016064,0,148.8136916,195.9945862,125.8086281,90.70710369,85.41725893,76.60085098,58.96803508,31.08374443,0,6.9650796,7.228917263,7.053739111,6.932934667,6.919365556,6.89675037,6.85152,6.718464,0,1.147899033,1.554427386,1.113880663,0.868471273,0.834991068,0.779190725,0.66759004,0.444612905,0,167.4806632,146.1940762,159.0291665,168.3247239,169.3238172,170.9889728,174.3192839,184.917652,0,1.55,1.934210526,1.541666667,1.361111111,1.361111111,1.37037037,1.333333333,1,0,0.028984089,-0.004413788,-0.012762229,-8.59E-05,3.83E-05,-2.27E-04,-0.001768116,0.004726855,0,508.4772378,-59.32234441,-213.0761758,-18.15990135,-19.37056144,-20.58122153,-21.79188162,98.06346729,0,945.5351364,-110.3124326,-396.2242477,-33.76911202,-36.02038615,-38.27166028,-40.52293442,182.3532049,0,0.0996072,-0.01162084,-0.04174016,-0.0035574,-0.00379456,-0.00403172,-0.00426888,0.01920996,0,4.226981996,-0.4931479,-1.771306741,-0.150963643,-0.161027886,-0.171092128,-0.181156371,0.815203671,0,22.96103329,-2.678787217,-9.621766332,-0.820036903,-0.87470603,-0.929375157,-0.984044284,4.428199278,0,2.2,-0.69,-0.66,0.05,0.04,0.28,-0.48,0.36,0,0.001449204,-2.32E-04,-3.55E-04,-1.91E-06,1.06E-06,-8.41E-06,-9.82E-05,5.25E-04,0,25.42386189,-3.122228653,-5.918782662,-0.403553363,-0.538071151,-0.762267464,-1.21066009,10.89594081,0,47.27675682,-5.805917504,-11.0062291,-0.750424711,-1.000566282,-1.417468899,-2.251274134,20.26146721,0,0.00498036,-6.12E-04,-0.001159449,-7.91E-05,-1.05E-04,-1.49E-04,-2.37E-04,0.00213444,0,0.2113491,-0.025955153,-0.049202965,-0.003354748,-0.004472997,-0.006336745,-0.010064243,0.090578186,0,1.148051665,-0.140988801,-0.267271287,-0.018223042,-0.02429739,-0.034421302,-0.054669127,0.492022142,0,0.11,-0.036315789,-0.018333333,0.001111111,0.001111111,0.01037037,-0.026666667,0.04,0,-0.160298047,-0.244621349,-0.001317419,7.34E-04,-0.005805296,-0.067781105,0.362409973,0,-0.122807018,-0.232804233,-0.015873016,-0.021164021,-0.029982363,-0.047619048,0.428571429,0,-0.122807018,-0.232804233,-0.015873016,-0.021164021,-0.029982363,-0.047619048,0.428571429,0,-0.122807018,-0.232804233,-0.015873016,-0.021164021,-0.029982363,-0.047619048,0.428571429,0,-0.122807018,-0.232804233,-0.015873016,-0.021164021,-0.029982363,-0.047619048,0.428571429,0,-0.122807018,-0.232804233,-0.015873016,-0.021164021,-0.029982363,-0.047619048,0.428571429,0,-0.330143541,-0.166666667,0.01010101,0.01010101,0.094276094,-0.242424242,0.363636364,0,1.703412306,1.346838172,0.878190572,0.86706897,0.856170017,0.849963494,0,0,1.666666667,1.382275132,0.904761905,0.87962963,0.837742504,0.753968254,0,0,1.666666667,1.382275132,0.904761905,0.87962963,0.837742504,0.753968254,0,0,1.666666667,1.382275132,0.904761905,0.87962963,0.837742504,0.753968254,0,0,1.666666667,1.382275132,0.904761905,0.87962963,0.837742504,0.753968254,0,0,1.666666667,1.382275132,0.904761905,0.87962963,0.837742504,0.753968254,0,0,1.931818182,1.079545455,0.767676768,0.839646465,0.87962963,1.439393939,0,0,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,24.21862301,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,-3.55E-15,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,27.71532755,13.80210822,22.59542027,27.64125348,4.606875579,13.80211063,-0.111111111,1.11E-16,1.85E-17,-22.04208034,17.92897903,2.988163172,1.731851007,0,11.89,12.11007471,-0.170505165,0.049778506,5.038149357,6.699886583,5,19,19,19,5,0,0,0,0,0,15.304898,3.436281324,3.053015046,2.504096255,1.916358167,1.43391761,1.146847431,0.083923071,0.083923071,1.888548119,1.647951451,1.299263214,0.941680442,0.676640099,0.532894083,0.083923071,0.083923071,3.467521827,3.095177584,2.563348322,1.997662592,1.539036202,1.269940792,0.270913902,0.270913902,1.823869772,1.56562057,1.194989707,0.814897509,0.531179783,0.376646566,0.270913902,0.270913902,3.603669566,3.277764969,2.815596863,2.335009351,1.961838325,1.752167171,0.943918427,0.943918427,1.630594176,1.313531503,0.864013097,0.398039556,0.038578938,0.162221585,0.943918427,0.943918427,3.490474213,3.126113473,2.606620839,2.056575709,1.614413172,1.357364362,0.399277246,0.399277246,1.78241689,1.512301266,1.126481593,0.730495519,0.433323325,0.270879703,0.399277246,0.399277246,3.669198442,3.364561497,2.932470728,2.486225297,2.144866309,1.95552884,1.207644823,1.207644823,1.569371074,1.232013665,0.753158019,0.252901533,0.139147927,0.361314188,1.207644823,1.207644823,3.493977399,3.213334155,2.722251257,2.161020711,1.718428664,1.473804317,0.6,0.6,1.762609021,1.413761131,0.988653497,0.594869471,0.296896665,0.126026718,0.6,0.6,0,0,0,0,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,9.792794627,19.21485798,18.07843137,18.32,11.58988144,154.455091,0.489639731,0.960742899,0.903921569,0.916,0.579494072,7.722754551,2.5866,29.816,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.2,0,0,0,0,0,0,0,0,0,0,0,4.463611111,0,5.536388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.231805556,0,1.355,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.231805556,0,1.413194444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10,1.666666667,0.2,2.231805556,0.2,1.355,4.596819444,0.145,0.231805556,0.927222222,0.145,0.231805556,0.927222222,3,0.5,0,0,0.42,0.7,0.42,0.42,0.7,0,0,0,0,0.71429,0,0,0.33333,0,0,2.5,0.41667,2.5,0.41667,0,0,-2.5,-0.41667,0,0,5.31294,0.88549,5.31294,0,0,2.91421,0.4857,2.91421,0,0,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5,0,0,0,0,0,0,1,0.881290899,1.156779649,2.046439345,2.246439345,1.760964047,1.628771238,17.62581798,23.13559299,40.92878689,44.92878689,35.21928095,32.57542476,0.203911514,0.267653608,0.473501479,0.519777122,0.407448715,0.376862179,3.440637196,3.165148445,2.27548875,2.07548875,2.560964047,2.693156857,0.207463733,0.27231624,0.481750062,0.528831845,0.414546633,0.383427267,6.616095946,9.921960949,13.01701725,11.02014727,10.53087311,8.944559395,23.80204551,20.17438566,19.31564911,21.97319159,21.98911105,14.8301699,6,5,5.333333333,6,0,6,2.12,0.954,0.2,3.614408014,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,2.768,4,3,2,1,0,0,0,0,0,21,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,0,3.091042453,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.6,5,1,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,0,112.3323665,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,86.10955045,4.305477522,10.83915043,1.806525072,0,0,0,35,3,3.754,18,1.220894737,2.104070296,2.834050251,3.556820544,4.881273756,5.8487974,7.058444873,0,0,0,67.74862772,56.37357056,51.90472243,61.30004991,59.84703514,30.60323554,7.171831732,0,0,0,263.8372191,284.3497531,282.0632149,355.5308871,405.7006726,367.801601,219.4028965,0,0,0,8.859366903,14.89057627,19.6976071,24.77500676,33.76222334,40.18247011,47.42190778,0,0,0,2.030985313,2.466953736,2.60830871,3.32096827,4.016553242,4.087795125,3.138275679,0,0,0,176.3944505,331.0174697,473.6018424,589.7652507,827.274887,1010.85064,1305.231053,0,0,0,2.427907895,3.333899572,3.962337209,5.154990984,6.929041593,8.072260541,7.058444873,0,0,0,0.422269342,0.524366032,0.561891348,0.715934702,0.874478508,0.904865382,0.722784755,0,0,0,371.672533,129.2254233,9.068523388,158.7213439,-55.18522632,-9.513656563,212.9511891,184.4106496,18.58217995,0.700748159,0.243640488,0.017097715,0.299251841,-0.104045745,-0.017936965,197.1328357,68.54037323,4.809889277,84.18482894,-29.26990613,-5.045985188,0.07590715,0.187427247,1.576789125,12.44883377,530.3938769,0,1,0,310.4078457,17.6183951,6.770866172,446.0263509,21.11933595,7.640471717,448.2314128,21.1714764,7.653041995,2.517099006,2.517099006,439.289369,422.950533,36.39746535,1.038630607,12.06922968,11.6203293,3.714891546,4.466158665,7.63628977,0.709811572,3.904607748,4.742666667,2.113749516,15.95453913,7.51712365,0.143498814,2.772933281,8.479263225,4.128385499,1.14813862,2.188724667,0.073937918,1.544812114,1.267677695,3.60E-06,8.00E-33,3.43E-81,2.83E-151,4.52E-243,0,0,0,0,0,0,0,0,0,0,0,0.327686671,4.742376672,0.141012467,4.09564635,0.055826524,0.001179269,0.400410397,0.334057283,2.006488095,0.045156318,0.017870597,0.008212694,0.127880219,0.008928358,2.53E-08,5.63E-35,2.41E-83,2.00E-153,3.18E-245,0,0,0,0,0,0,0,0,0,0,0,1.05781252,4.742396602,0.479177174,5.015209275,0.559120835,0.010889559,0.884653971,1.327155112,2.345797934,0.17950658,0.166288302,0.012653829,0.413976048,0.093040371,2.64E-07,5.87E-34,2.52E-82,2.08E-152,3.32E-244,0,0,0,0,0,0,0,0,0,0,0,3.685631203,4.742635023,1.970157411,14.69751032,6.699606821,0.127944204,2.627675359,7.743768261,3.965295942,1.048495653,1.951571477,0.066739285,1.456961205,1.129478003,3.21E-06,7.12E-33,3.05E-81,2.53E-151,4.03E-243,0,0,0,0,0,0,0,0,0,0,0,1.559021026,4.742421941,0.730471884,6.092165063,1.207391242,0.023297864,1.217083562,2.207677715,2.606579016,0.298691829,0.355674901,0.018367328,0.611301281,0.202096118,5.73E-07,1.27E-33,5.47E-82,4.52E-152,7.21E-244,0,0,0,0,0,0,0,0,0,0,0,4.715379333,4.742799601,2.671319746,21.21170237,10.95361546,0.208859005,3.31077362,11.47139688,4.769915791,1.553540596,3.185169978,0.104196167,1.871341804,1.848788779,5.25E-06,1.17E-32,5.00E-81,4.13E-151,6.59E-243,0,0,0,0,0,0,0,0,0,0,0,2.409700782,4.353605973,1.10314419,8.23115965,2.713282391,0.051975439,1.711691777,3.694844283,3.395844781,0.500122112,0.797985751,0.035092097,1.103999159,0.45636397,1.29E-06,2.88E-33,1.23E-81,1.02E-151,1.63E-243,0,0,0,0,0,0,0,0,0,0,0,5.672933615,0.731154087,0.497572215,0.821966553,0.105938875,0.558961207,0.55695773,0.59997934,6.901659917,7.334284703,16.29976898,0.73294983,1.715898277,4.795134677,0.306135575,0.116399265,0.919018474,0.058672856,0.399871135,0.097072507,0.032834056,5.217669516,2.061745418,7.450284552,0.878527711,0.529777697,5.160908206,0.483481404,0.275302884,0.87182032,0.081673398,0.462914907,0.242862792,0.183673109,5.919692494,4.049119885,10.655749,0.80773048,0.889450808,5.652853217,0.721452622,0.48885876,0.823651121,0.105119528,0.555023015,0.542232007,0.57914973,6.863164599,7.194401023,16.05126157,0.735476682,1.676404752,5.316424902,0.558774506,0.342832262,0.855001258,0.089863567,0.491124774,0.324723371,0.28483111,6.218031671,4.984890603,12.22136814,0.782501887,1.100679255,5.735302567,0.761280769,0.524634206,0.816852993,0.108425749,0.571282404,0.603944185,0.667017548,7.021217542,7.77450539,17.08636797,0.72527949,1.842244137,5.675684185,0.721998554,0.489837932,0.824053307,0.104827062,0.55948857,0.543149712,0.581472098,6.887520671,7.231663455,16.12645953,0.73607996,1.68411038 +UMLYSI0321,L,ethyl-2-butenoate,CCOC(=O)C=CC,unsaturated esters,C6H10O2,623-70-1,429065,UML,,30.3,0,1.0622,1.12826884,32.2582,18.83193,0,0,18,8,10,0,6,0,2,0,0,0,0,0,0,0,1387.681368,1274.619331,1449.903819,1184.829546,1041.540161,520.452914,258.308233,81.787104,9.144576,3284.720409,3749.622277,4153.582857,3702.801124,3209.157613,2450.480283,1611.565171,968.1733981,279.7536999,139.131168,131.440036,217.458084,217.087104,167.281436,163.581896,105.191524,103.171968,60.466176,22.46593705,26.3090631,30.57228203,27.29949915,23.09062945,19.07474785,15.03386331,10.682782,4.001516144,2980.845228,2498.432887,4528.127029,4687.368791,3387.21169,3361.94034,2429.485546,2582.994154,1664.258868,92.27777778,56.08333333,98.5,85.16666667,85,75,25.5,21,9,77.09340933,74.97760771,51.78227925,42.31534093,49.59715052,26.0226457,17.22054887,5.4524736,1.016064,182.4844672,220.5660163,148.3422449,132.2428973,152.8170292,122.5240141,107.4376781,64.54489321,31.08374443,7.729509333,7.731766824,7.766360143,7.753110857,7.965782667,8.1790948,7.012768267,6.8781312,6.718464,1.248107614,1.547591947,1.091867215,0.974982112,1.099553783,0.953737393,1.002257554,0.712185467,0.444612905,165.6025127,146.9666404,161.7188225,167.4060283,161.2957947,168.097017,161.965703,172.1996103,184.917652,5.12654321,3.299019608,3.517857143,3.041666667,4.047619048,3.75,1.7,1.4,1,0.279102267,-0.182855061,0.058971048,0.008642946,0.025154138,-0.066611442,0.0041853,0.006753608,0.006208331,663.856216,-9.534489444,87.21047144,75.94172378,-164.2833963,-554.0564264,-97.77665767,74.57066667,256,866.1096724,-133.5335166,-96.88297305,216.0686491,-207.4794745,-313.4263599,-224.9034393,1.327613848,325.7746642,1.881856,-0.014157778,0.686053778,-0.491235556,-0.535836,-1.284431111,0.166972,0.273642667,0.258064,3.87734243,-0.994912954,-0.828956611,0.858247407,-0.955618572,0.173601738,-1.018110106,-0.271804689,1.098882572,21.92945949,-6.116843013,-4.877936797,4.222969652,-5.487487123,3.162530639,-5.461747722,-1.842608136,5.436392757,36.56790123,-2.135116598,11.87277092,-3.806241427,-8.338477366,-27.59087791,2.434156379,4.091563786,5.188271605,0.015505682,-0.01075618,0.002106109,3.09E-04,0.001197816,-0.003330572,2.79E-04,4.50E-04,6.90E-04,36.88090089,-0.56085232,3.114659694,2.712204421,-7.823018873,-27.70282132,-6.518443844,4.971377778,28.44444444,48.11720402,-7.854912743,-3.46010618,7.716737467,-9.879974975,-15.671318,-14.99356262,0.08850759,36.19718492,0.104547556,-8.33E-04,0.024501921,-0.017544127,-0.025516,-0.064221556,0.011131467,0.018242844,0.028673778,0.215407913,-0.058524291,-0.029605593,0.030651693,-0.045505646,0.008680087,-0.067874007,-0.018120313,0.122098064,1.218303305,-0.359814295,-0.174212028,0.150820345,-0.261308911,0.158126532,-0.364116515,-0.122840542,0.60404364,2.031550069,-0.125595094,0.424027533,-0.135937194,-0.397070351,-1.379543896,0.162277092,0.272770919,0.576474623,-0.693692826,0.135828202,0.019907324,0.077250142,-0.214796886,0.017994692,0.029037131,0.044487857,-0.015207121,0.084451833,0.073539538,-0.212115721,-0.75114275,-0.176743075,0.134795454,0.771251346,-0.163245411,-0.071909959,0.160373771,-0.205331444,-0.325690537,-0.311605026,0.001839417,0.752271161,-0.007965853,0.234361488,-0.167810016,-0.244061182,-0.614280795,0.106472759,0.174493266,0.274265406,-0.271690537,-0.137439674,0.142296041,-0.211253364,0.040296045,-0.315095236,-0.084120924,0.566822555,-0.29534049,-0.142995613,0.1237954,-0.214485924,0.129792418,-0.298871811,-0.100829196,0.495807273,-0.061822298,0.208721183,-0.066913041,-0.195451915,-0.679059757,0.07987846,0.134267387,0.283760972,1.682671418,0.927781357,1.282168578,1.50629066,1.375968092,0.14779404,0.076436565,1.18E-04,0.947774903,0.891689429,0.923178158,1.241514402,1.837391753,0.930075867,0.620050578,0,1.359308315,1.041605172,0.734814185,1.151173644,1.141818244,1.325640211,0.88376014,0,0.720180503,0.80878004,1.335465474,1.548238547,2.329911747,0.064272505,0.042848337,0,1.589299252,1.125387585,0.735698098,1.189146865,0.790241479,1.323783995,0.882522663,0,1.626717752,1.13901861,0.760639819,1.215989866,0.741720776,1.27140638,0.847604254,0,0.610735989,0.527842252,1.031932755,1.900139867,2.803859301,0.104599932,0.092977718,0,30.04062961,15.2703148,23.3775467,30.41562961,3.801953701,15.2703157,0.5,0.026341806,0.003292726,-2.909278405,157.8562941,19.73203676,4.04934807,30.05303303,15.27578209,23.38636504,30.4269314,3.803366425,15.27578299,0.498531158,0.026662957,0.00333287,-2.899584035,161.2915482,20.16144352,4.066570868,41.12307191,20.16254148,31.70498537,40.52458019,5.065572524,20.16254148,-0.797988956,0.208848303,0.026106038,-1.252917689,29.20527033,3.650658791,2.699479347,30.06605092,15.28152026,23.39562203,30.43879312,3.80484914,15.28152115,0.4969896,0.026999655,0.003374957,-2.88954496,165.0925875,20.63657344,4.085205162,52.9566915,25.39605148,41.03965137,51.3332501,6.416656262,25.39605148,-2.164588529,0.286629576,0.035828697,-0.999651659,25.6442898,3.205536226,2.595456742,31.3409058,15.84358709,24.31058839,31.60060708,3.950075885,15.84358758,0.346268372,0.058205391,0.007275674,-2.275021844,106.7780256,13.3472532,3.736601722,27.55492709,14.12714466,21.65772737,28.11630275,3.514537844,14.12714804,1.122751323,0.042742092,0.005342761,-2.522056869,72.66240634,9.082800793,3.428659315,0,11.89,15.99591765,-0.312569343,0.285612645,4.120495086,6.655073174,7,17,15,15,5,2,2,0,0,2,13.80607,3.573296606,3.143171025,2.801102323,2.060073737,1.876830991,0.985773631,0.83211291,0.083923071,1.753155425,1.63486027,1.193267,0.865986915,0.528513249,0.212905064,0.083923071,0.083923071,3.486976731,3.122770244,2.722399597,2.053271118,1.812477424,0.936373112,0.604171944,0.270913902,1.750158913,1.574876996,1.197668651,0.782062087,0.558529885,0.09097592,0.270913902,0.270913902,3.637474213,3.323306205,2.972975721,2.381118724,2.193407106,1.449099025,1.22667451,0.943918427,1.570258612,1.316417075,0.891950577,0.363571835,0.145484249,0.484544542,0.943918427,0.943918427,3.476336938,3.134203731,2.709908422,2.069893529,1.83529622,1.014952676,0.459592339,0.399277246,1.75871133,1.536080507,1.195499758,0.726354044,0.537257451,0.010584505,0.399277246,0.399277246,3.649547018,3.390603421,3.019894944,2.491040273,2.294464585,1.654764755,1.208936353,1.207644823,1.546313186,1.248572645,0.842552354,0.257735343,0.042655713,0.685574151,1.207644823,1.207644823,4.56561827,3.365286294,3.256919468,2.493369305,2.307737737,1.510529068,1.185214377,0.537313433,1.567277152,1.456281321,0.899150568,0.563697721,0.115171826,0.245262279,0.537313433,0.537313433,0,0,1,2,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.048112522,0,0,0,0.40824829,0.552585858,0.288675135,0.061798469,0.081440324,0.03928371,6.405777394,3.808060412,2.682521985,1.562948829,1.129936127,0.288675135,0.144337567,0,0.800722174,0.54400863,0.383217426,0.260491471,0.225987225,0.144337567,0.144337567,0,5.1783039,2.603388943,1.252048296,0.589345896,0.326454184,0.096225045,0.048112522,0,0.647287988,0.371912706,0.178864042,0.098224316,0.065290837,0.048112522,0.048112522,0,10.13873723,18.10050983,17.3254902,17.6,10.9532515,138.193012,0.563263179,1.00558388,0.962527233,0.977777778,0.608513972,7.677389554,1.05179,31.177,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,61,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,2,1,0,2,0,0,0,0,0,0,0,0,2,0,1,0,2,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.89055556,2.77462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.070972222,0,0,0.975208333,0.395902778,0,1.070972222,0,0,0,0,0,0,0,0,3.553888889,0,0.447592593,0,3.043148148,0,0,0,0,-0.268518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.33402778,4.556527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.556527778,-0.268518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.479930556,0,0,0.393680556,0.395902778,0,0.479930556,0,0,0,0,0,0,0,0,1.774722222,0,0.447592593,0,1.392361111,0,0,0,0,-0.268518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.33402778,4.556527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.33402778,1.650787037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.591041667,0,0,0.581527778,0.395902778,0,0.591041667,0,0,0,0,0,0,0,0,1.779166667,0,0.447592593,0,1.650787037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.33402778,4.556527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21.66666667,2.708333333,0.628472222,10.33402778,0.308958333,-0.268518519,2.640962222,1.935185185,3.334027778,8.781111111,1.935185185,3.334027778,8.781111111,3.66666,0.45833,0,0.04167,0.56296,0.89167,0.42308,0.53667,0.89167,0.13989,0.0263,-0.11359,0,0.51402,0.20027,0,0.36364,0.13636,0,7.25,0.90625,4.25,0.53125,3,0.375,-1.25,-0.15625,0,0,4.44652,0.55581,8.49821,4.0517,0.50646,2.0705,0.25881,3.80805,1.73755,0.21719,0.10595,0.01324,0.10595,0.01324,0,7.02,2,2,2,2,0,0,0.5,1.351644115,2.725480557,3.530493057,3.530493057,3.530493057,3.298830557,24.32959407,49.05865003,63.54887502,63.54887502,63.54887502,59.37895002,0.324141109,0.653604215,0.846656248,0.846656248,0.846656248,0.791100693,2.818280886,1.444444444,0.639431945,0.639431945,0.639431945,0.871094445,0.318189072,0.641602416,0.831109534,0.831109534,0.831109534,0.776574117,12.44827692,24.96954922,25.78086097,25.78086097,25.78086097,23.00091097,29.36606616,16.91061112,15.79916528,15.79916528,15.79916528,14.40919028,8,5.142857143,5,8,5,4,1.9,0.9854,0.166666667,2.481111325,0.666666667,0,1.310370697,1.889881575,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.446,0.43,0.658,0.216,3.298,7,6,5,2,1,0,0,0,0,36,2.302585093,2.48490665,2.564949357,2.48490665,1.609437912,1.098612289,0,0,0,0,4.060443011,1.583333333,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,5,0.714285714,0,3,6,1,1.5,0.666666667,0.375,0.08,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.0625,0.016,0.027777778,0,0,0,0,0,0.415801587,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,26.3,124.6399025,4,3.36729583,4.007333185,4.709530201,5.370638028,6.084499413,6.751101469,7.467942332,8.135932772,8.853522561,69.74779579,2.708050201,0,3.761200116,0,4.990432587,0,6.304448802,0,7.656810091,7.96241568,114.0680796,6.337115531,14.6584741,1.832309262,5.257553224,5.257553224,0,75,6,1.48,28,1.224652281,2.117217738,2.936311942,3.90212695,5.040420328,6.06228953,7.172514666,8.055518454,0,0,103.0116611,122.1323976,138.493719,219.6263422,145.768893,118.9501235,41.36246652,8.184922303,0,0,291.3880009,338.3916617,423.0729822,651.9033015,657.1068217,704.6499948,479.9536685,250.3956769,0,0,9.553547308,16.61367483,22.85932798,30.97032219,41.20095802,42.68173301,49.41463749,54.12071074,0,0,1.994039342,2.432937859,3.058325797,4.622155358,5.05183504,6.437321085,5.244137241,3.58158746,0,0,178.5096939,338.8817019,486.9791234,618.2030548,841.1379649,969.080666,1228.641104,1489.607558,0,0,4.204698215,7.940974282,9.169608313,15.71649829,18.77732612,10.74905919,10.24479479,8.055518454,0,0,0.461844483,0.601822724,0.759292225,1.154113577,1.267609992,1.379746044,1.157211247,0.82488509,0,0,328.9018761,244.0692263,13.86364361,119.5411675,-88.70828163,-17.31335686,209.3607086,332.7775079,31.17700048,0.733430657,0.544259142,0.03091506,0.266569343,-0.197813932,-0.038607705,147.4937584,109.4511467,6.217054537,53.60740498,-39.78061181,-7.764054447,0.384853473,0.421163499,2.977368191,6.392939666,389.7864653,58.65657826,0.869199491,0.130800509,594.6458268,24.38536091,8.409163407,694.9850603,26.3625693,8.857785441,964.5084356,31.05653612,9.880266906,2.229813262,2.229813262,681.5559327,616.1749184,74.89131245,1.10610788,9.10060073,8.227588732,4.170076225,4.502729869,8.871262648,0.970196505,4.174212999,3.910947243,2.33674251,12.19466602,2.292103989,2.457495549,5.940457123,4.192308042,6.694674695,1.906746301,0.97963548,2.001005141,2.101329784,0.32126621,2.919604635,0.005443556,0.381156886,1.36E-17,9.30E-56,1.23E-115,3.14E-197,1.55E-300,0,0,0,0,0,0,0,0,0.358693136,4.197772234,0.220353044,3.809529938,0.19908216,0.643089378,0.799109487,0.464761856,0.668510415,0.212982282,0.933897881,0.089768377,0.066049729,0.039468773,0.121476348,2.11E-04,0.002684519,9.55E-20,6.55E-58,8.67E-118,2.21E-199,1.09E-302,0,0,0,0,0,0,0,0,1.133835219,3.657117901,0.548495048,3.768281117,0.260143765,0.555920958,1.728136221,1.020087762,1.457227474,0.369621345,0.941513479,0.341251559,0.285590247,0.096932198,0.473548332,8.44E-04,0.027974759,9.95E-19,6.83E-57,9.03E-117,2.30E-198,1.13E-301,0,0,0,0,0,0,0,0,3.942711973,4.200279121,2.510349864,12.37023484,2.103665058,2.487966406,5.943555956,4.078406951,6.53228697,2.393221968,0.976226829,1.834954007,1.907427217,0.303994452,2.67079998,0.004969295,0.339603923,1.21E-17,8.29E-56,1.10E-115,2.80E-197,1.38E-300,0,0,0,0,0,0,0,0,1.667215158,3.45191338,0.718473726,4.117675199,0.4142975,0.611003518,2.316619321,1.434534677,2.063869106,0.366703085,0.947252177,0.555052258,0.494465744,0.136396092,0.780285778,0.001407848,0.060764915,2.16E-18,1.48E-56,1.96E-116,5.01E-198,2.46E-301,0,0,0,0,0,0,0,0,5.040977148,4.096371366,3.081551713,16.4905509,3.303548288,3.444195177,7.372277426,5.3370605,8.776099015,2.783486658,0.992947232,2.67150647,2.897953403,0.385238826,3.928817672,0.007374336,0.555881496,1.98E-17,1.36E-55,1.79E-115,4.58E-197,2.25E-300,0,0,0,0,0,0,0,0,2.314958898,4.391897049,1.737839017,10.43043686,1.181634288,1.702391536,3.804019597,2.876686359,4.252677917,1.92427504,1.084529542,0.859456517,0.796314709,0.193284919,1.221864188,0.002221595,0.110042175,3.91E-18,2.68E-56,3.55E-116,9.07E-198,4.46E-301,0,0,0,0,0,0,0,0,8.658145391,0.85170405,0.262123818,0.886018122,0.087157837,0.634036548,0.459839705,0.33328451,9.771973258,9.866935534,21.57185635,0.829027182,1.427160764,5.360614462,0.661204138,0.041666444,0.884081419,0.109046882,0.24300233,0.276780588,0.008421221,6.063485044,3.795368235,10.00653834,0.826122128,0.528204138,7.069970292,0.628433029,0.126074256,0.903570906,0.080316292,0.422720076,0.250337761,0.077100109,7.824477578,5.413573321,13.79819918,0.855356359,0.750157946,8.276262182,0.871350393,0.24604959,0.881047459,0.092759392,0.579325063,0.481312309,0.293661798,9.393662165,9.462290633,20.6303454,0.821571189,1.35429917,7.865199392,0.642405094,0.171992889,0.906170995,0.074013237,0.523190672,0.261615294,0.143490498,8.679597375,6.51589163,16.06450787,0.859256493,0.928296464,8.781291763,0.892542831,0.278013331,0.88237801,0.08968614,0.652206589,0.504988117,0.374915506,9.951847925,10.52713399,22.65796116,0.823567014,1.532110211,8.363636781,0.882613687,0.248664736,0.880854289,0.092956458,0.591626588,0.493832184,0.299937359,9.494915205,9.681076733,21.01160028,0.821281433,1.385396132 +UMLYSI0322,L,2-pentanol,CCCC(C)O,saturated alcohols,C5H12O,6032-29-7,22386,PubChem,,30.2,0,-0.9841,0.96845281,23.5831,17.603516,0,0,18,6,12,0,5,0,1,0,0,0,0,0,0,0,989.481374,918.525433,1047.196341,759.190535,509.05819,144.307296,12.192768,0,0,2706.980219,3340.91352,4157.215774,3778.220615,2628.230973,1391.118395,373.0049332,0,0,131.675864,127.961068,226.90794,286.73066,235.343872,152.140032,80.621568,0,0,19.92305886,25.2786954,34.06730449,33.40795106,24.78086426,14.28985608,5.335354858,0,0,3038.434891,2530.053054,4954.678529,6588.374072,5695.167103,3661.504836,2219.011824,0,0,62.27777778,43.25,69,85.33333333,63,43,12,0,0,54.97118744,54.03090782,33.78052713,19.46642397,15.42600576,6.871776,1.016064,0,0,150.3877899,196.5243247,134.1037346,96.87745167,79.64336282,66.24373311,31.08374443,0,0,7.315325778,7.527121647,7.319610968,7.352068205,7.131632485,7.244763429,6.718464,0,0,1.106836603,1.486982082,1.098945306,0.85661413,0.750935281,0.680469337,0.444612905,0,0,168.8019384,148.8266503,159.8283396,168.9326685,172.5808213,174.3573732,184.917652,0,0,3.459876543,2.544117647,2.225806452,2.188034188,1.909090909,2.047619048,1,0,0,0.220654315,-0.110170166,0.010128236,-0.03047214,0.029655762,-0.029263732,0.019794884,0,0,557.7912351,-66.11605249,-82.74028647,-208.688303,53.95116685,-156.8147364,181.5125939,0,0,815.6252945,-79.2452518,-254.7450064,-219.4417625,43.45488204,-160.1415306,262.3060219,0,0,1.059967111,-0.095141383,0.003255753,-0.34703363,0.001078519,-0.216447407,0.124304593,0,0,3.576219349,-0.265723223,-1.464103123,-0.631566778,-0.003619501,-0.405885722,0.982788672,0,0,19.7674611,-1.32649563,-8.520916016,-2.96031819,-0.375585911,-1.745405988,5.044991183,0,0,23.75308642,-4.242112483,1.73079561,-8.215020576,1.961934156,-5.684156379,2.572016461,0,0,0.012258573,-0.006480598,3.27E-04,-7.81E-04,8.99E-04,-0.001393511,0.001649574,0,0,30.98840195,-3.889179558,-2.669041499,-5.350982127,1.634883844,-7.4673684,15.12604949,0,0,45.31251636,-4.6614854,-8.21758085,-5.626711858,1.316814607,-7.62578717,21.85883516,0,0,0.058887062,-0.005596552,1.05E-04,-0.008898298,3.27E-05,-0.010307019,0.010358716,0,0,0.198678853,-0.015630778,-0.047229133,-0.01619402,-1.10E-04,-0.019327892,0.081899056,0,0,1.098192283,-0.078029155,-0.274868259,-0.075905595,-0.011381391,-0.083114571,0.420415932,0,0,1.319615912,-0.249536028,0.055832116,-0.210641553,0.05945255,-0.270674113,0.214334705,0,0,-0.528658434,0.026652146,-0.063737999,0.073308651,-0.11367645,0.134564901,0,0,-0.12550436,-0.086130337,-0.17267693,0.052757927,-0.240973007,0.488119701,0,0,-0.102874123,-0.181353443,-0.124175665,0.029060726,-0.168293173,0.482401705,0,0,-0.095038736,0.001783487,-0.151107865,5.55E-04,-0.175030288,0.175908183,0,0,-0.078673586,-0.237715954,-0.081508524,-5.52E-04,-0.097282077,0.412218285,0,0,-0.071052361,-0.250291559,-0.069118674,-0.010363751,-0.075683077,0.382825429,0,0,-0.189097469,0.042309369,-0.159623381,0.04505292,-0.20511583,0.162422037,0,0,1.431002721,0.714570162,1.198708637,0.869018289,1.287923142,0.337304366,0,0,1.409452341,1.137818133,1.154835598,0.773951304,1.104188892,0,0,0,1.590373361,1.337815477,1.023064922,0.77454043,0.906286043,0,0,0,1.043987109,0.822591682,1.402198901,0.806118551,1.355438462,0,0,0,1.655711089,1.428720052,0.971518306,0.781771449,0.80356753,0,0,0,1.661705788,1.443354215,0.96545488,0.784799804,0.783613671,0,0,0,1.149558212,0.778544363,1.40539541,0.762686638,1.397312147,0,0,0,21.0931329,10.67156645,16.73713056,21.25979956,3.543299927,10.67162594,0.25,0.102950955,0.017158493,-1.364101539,23.20197762,3.86699627,1.88654251,21.09611656,10.67269107,16.7385286,21.26229361,3.543715602,10.67275048,0.249265579,0.102877784,0.017146297,-1.364528135,23.19538835,3.865898058,1.886372089,23.78300691,11.69200622,18.10347587,23.5170106,3.919501766,11.69202563,-0.398994478,0.023781959,0.00396366,-2.243296809,19.69194089,3.281990148,1.788125676,21.09924811,10.67387145,16.73999615,21.26491131,3.544151884,10.67393078,0.2484948,0.102800957,0.017133493,-1.364976368,23.18848087,3.864746811,1.886193385,26.69700248,12.80735411,19.94147926,25.97547297,4.329245494,12.8073603,-1.082294264,0.09280724,0.015467873,-1.426338372,21.50729029,3.584548382,1.841035177,21.40627616,10.78970517,16.88502839,21.52169895,3.586949825,10.78975701,0.173134186,0.095123446,0.015853908,-1.41154788,22.55100076,3.758500126,1.869467667,23.03258599,11.80795966,19.15018972,23.42147488,3.903579147,11.80798076,0.583333333,0.120670678,0.02011178,-1.26881407,19.21464693,3.202441154,1.773403709,0,11.99640057,15.99794223,-0.418488723,0.077562269,4.418856186,6.619769203,5,17,17,17,5,0,0,0,0,0,13.118484,3.451581157,2.964392103,2.244612376,2.047170761,1.402796895,0.896721912,0.083923071,0.083923071,1.846911721,1.54731245,1.142493283,0.761946115,0.581728649,0.291315589,0.083923071,0.083923071,3.447177728,2.973650549,2.307442282,1.88324323,1.455961778,0.967025283,0.270913902,0.270913902,1.800233664,1.477806211,1.031339843,0.744058134,0.482374437,0.158406045,0.270913902,0.270913902,3.598945262,3.187569899,2.606235828,2.357725681,1.920050375,1.515824543,0.943918427,0.943918427,1.597611338,1.19771994,0.656174569,0.232926156,0.052449434,0.439804323,0.943918427,0.943918427,3.460749678,2.997394463,2.357445623,1.876090148,1.505808893,1.03263438,0.399277246,0.399277246,1.771976535,1.433484879,0.958849347,0.735180646,0.396024085,0.0587047,0.399277246,0.399277246,3.652564249,3.269390762,2.737527918,2.44188618,2.094471537,1.719106223,1.207644823,1.207644823,1.543823786,1.117110629,0.529395576,0.126738149,0.218084872,0.639291409,1.207644823,1.207644823,4.292345084,3.335754446,2.940736508,2.469335657,1.72747684,1.285185569,0.6,0.6,1.69685714,1.256790354,0.799608281,0.343283694,0.078193555,0.32389892,0.6,0.6,0,0,0,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.182574186,0,0,0,0.288675135,0.288675135,0,0.129099445,0.129099445,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.438777427,2.450904231,1.637696501,0.706449714,0.417774579,0,0,0,0.739796238,0.490180846,0.3275393,0.235483238,0.20888729,0,0,0,8.965765927,17.6576839,16.70196078,16.96,10.27156647,139.5813569,0.498098107,0.980982439,0.92788671,0.942222222,0.570642582,7.754519827,1.1673,26.5888,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.625277778,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0.625277778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.574722222,0,0,0,0,0,0,0,0,0,0,0,3.87125,0,2.011574074,0,0,0,-0.101851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.625277778,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0.625277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,1.809027778,0,0.930555556,0,0,0,-0.101851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.625277778,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0.625277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.062222222,0,1.081018519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.552361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,2.388888889,0.625277778,8.552361111,0.24,-0.101851852,2.598671667,1.435185185,2.552361111,5.229166667,1.435185185,2.552361111,5.229166667,2.83333,0.47222,0,0.02778,0.47593,0.82778,0.42,0.47593,0.75238,0.05593,0,-0.05593,0.0754,0.57047,0.14382,0,0.47059,0.17647,0,2.75,0.45833,2.75,0.45833,0,0,-2.75,-0.45833,0,0,4.92873,0.82145,5.69868,0.76996,0.12833,2.47593,0.41266,2.77005,0.29412,0.04902,0.14395,0.02399,0.14395,0.02399,0,5.01,1,1,1,1,1,1,1,1.134969975,1.833605679,2.86382639,3.308270835,3.007435418,2.372180556,20.42945954,33.00490222,51.54887502,59.54887502,54.13383752,42.69925001,0.272179949,0.439721501,0.68678127,0.793364589,0.721220506,0.56887847,3.034955027,2.336319323,1.306098611,0.861654167,1.162489584,1.797744445,0.27767102,0.448592623,0.700636679,0.809370253,0.735770705,0.580355259,10.25843817,15.60956847,19.09055624,18.3171257,16.68881428,10.95563906,21.93297423,16.70416525,14.36524723,14.70693473,12.27502153,8.385965281,6,3.2,5.333333333,6,0,5,1.9,0.8718,0.25,2.149139864,1.154700538,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,2.891,5,3,2,0,0,0,0,0,0,21,1.791759469,1.791759469,1.386294361,1.098612289,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,20.23,103.8266085,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,88.088815,4.893823056,10.67917749,1.779862916,2.347570326,2.347570326,0,32,3,1.311,20,1.216411765,2.109456663,2.838347754,3.462022645,4.576646605,5.32052519,0,0,0,0,77.15821427,80.22774842,62.67236103,66.01177519,33.73286656,5.405994107,0,0,0,0,263.9099389,303.8103253,294.620486,313.4245243,319.2305716,165.3818452,0,0,0,0,9.180431628,15.53605194,20.93785587,24.77905529,33.27968454,35.74575695,0,0,0,0,1.941447524,2.433242608,2.543787937,2.845610608,3.236807085,2.36557416,0,0,0,0,178.6200885,333.8264647,476.921943,588.3334501,792.231694,983.8590256,0,0,0,0,3.146416667,4.937608595,6.356237931,6.937490128,9.644260913,5.32052519,0,0,0,0,0.425350094,0.553804064,0.595625699,0.659406088,0.772268979,0.544821779,0,0,0,0,342.5702258,198.0253776,14.79615944,165.5153326,-95.67742249,-19.54817239,177.0548932,293.7028001,34.34433184,0.674237282,0.389748093,0.029121393,0.325762718,-0.188309667,-0.038474174,174.0549844,100.6138345,7.517714933,84.09595016,-48.61231663,-9.932144085,0.363467694,0.679435028,10.53325134,20.27831605,449.259825,58.82573339,0.884220812,0.115779188,346.0061755,18.60124124,7.020390718,470.5945044,21.69319028,7.778256915,542.2927022,23.28717892,8.154761302,1.741404689,1.741404689,318.9571562,276.1450121,69.94207738,1.155035008,4.560304299,3.948195742,3.616270107,3.220194404,6.42424645,0.994987148,3.782243497,4.176849799,2.985987976,11.74758675,6.953251467,1.474400629,2.973013093,9.335118736,2.44904464,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337322539,4.30372162,0.226660141,4.185311385,0.33121844,0.023271695,0.275000569,0.494874788,1.050814869,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0.969469194,4.067497601,0.656187855,4.535056629,0.8381944,0.12481751,0.66872299,1.565392528,1.168080276,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.793087398,4.303384815,2.981656037,11.63381103,6.449908436,1.35490191,2.75301997,9.034932801,2.648310682,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.361918399,3.977740588,0.937022594,5.039449567,1.404897453,0.242638299,0.985654496,2.391661098,1.211198142,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.748236975,4.257085854,3.89484302,15.16567911,9.855805963,2.146325321,3.852338186,12.72197443,3.142420634,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.484116726,4.488422505,2.492409635,10.88401644,3.940693416,0.735478855,1.533927549,6.507276107,3.688916459,1.718839852,0.058521852,0.405615798,2.89E-15,3.97E-51,1.05E-108,5.38E-188,5.30E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.843356927,0.859642976,0.554820098,0.730979175,0.163497985,0.537692175,0.439323599,0.429968814,5.257820002,5.913233657,13.00413199,0.596468762,1.406984588,3.030096714,0.679301343,0.154080312,0.784292398,0.175826361,0.345968709,0.258250799,0.031991651,3.863478369,2.629893978,6.810523368,0.676438597,0.636211159,3.427492085,0.65763866,0.324374519,0.777296291,0.149141144,0.428726489,0.262314909,0.149743546,4.409505263,3.579163622,8.719825692,0.665944436,0.840784945,3.782328955,0.886883113,0.535901053,0.726656437,0.170386905,0.521339447,0.4649001,0.393945833,5.205113121,5.856719343,12.8595038,0.589984656,1.38018538,3.605732944,0.667590757,0.401570654,0.771297204,0.142803389,0.473235806,0.274955696,0.236574735,4.674894356,4.12319538,9.764732136,0.656945806,0.984766237,3.880853964,0.895377373,0.580158675,0.724527892,0.167160601,0.548268635,0.474151522,0.465924071,5.356390012,6.24580087,13.61814297,0.586791838,1.488344228,3.799502782,0.886914074,0.536959249,0.727403638,0.169797092,0.52604608,0.464828021,0.395485965,5.223376105,5.88624737,12.9190862,0.591105457,1.386360067 +UMLYSI0323,L,tert-butyl formate,CC(C)(C)OC=O,saturated esters,C5H10O2,762-75-4,61207,PubChem,,30,0,0.8736,0.76317696,27.1446,17.07193,0,0,17,7,10,0,5,0,2,0,0,0,0,0,0,0,1243.417247,1130.35521,1559.878804,1000.133952,749.210751,154.287504,0,0,0,2861.203507,3326.105375,4295.057399,4491.398594,3124.289002,1017.876376,0,0,0,131.590652,123.89952,217.082632,253.130952,296.911764,145.706688,0,0,0,19.67703705,23.5201631,30.90977491,35.67629376,29.38510015,8.814428018,0,0,0,2854.050872,2371.638531,4565.389046,5109.713293,7290.277162,3330.917358,0,0,0,88.8125,52.875,90.75,89.5,93,72,0,0,0,73.142191,70.64720062,55.70995729,31.254186,17.83835121,8.571528,0,0,0,168.3060886,207.8815859,153.3949071,140.3562061,74.38783339,56.54868753,0,0,0,7.740626588,7.74372,7.752951143,7.91034225,7.069327714,8.094816,0,0,0,1.157472768,1.470010194,1.103920532,1.11488418,0.699645242,0.489690445,0,0,0,167.8853454,148.2274082,163.0496088,159.6785404,173.5780277,185.0509644,0,0,0,5.224264706,3.3046875,3.241071429,2.796875,2.214285714,4,0,0,0,0.266190243,-0.147955773,0.080692242,-0.125357288,0.090259721,-0.030734023,0,0,0,629.8202065,-12.09745997,278.8549775,-851.7755305,494.7108647,-224.6029549,0,0,0,780.5766247,-146.4197851,240.6759717,-865.9886479,290.5439332,90.90021582,0,0,0,1.881607059,-0.015005232,0.734939668,-1.32746317,0.772193149,-1.105467945,0,0,0,3.424768994,-1.080059213,0.624911256,-2.282195967,-0.337250758,1.362210184,0,0,0,19.34959846,-6.628413839,2.927102972,-10.14432766,-4.405588241,8.576427543,0,0,0,36.75,-1.375,13.75,-17.25,16.875,-30.375,0,0,0,0.01565825,-0.009247236,0.002881866,-0.003917415,0.002149041,-0.001707446,0,0,0,37.04824744,-0.756091248,9.95910634,-26.61798533,11.77883011,-12.47794194,0,0,0,45.91627204,-9.151236571,8.595570418,-27.06214525,6.917712694,5.05001199,0,0,0,0.110682768,-9.38E-04,0.026247845,-0.041483224,0.018385551,-0.061414886,0,0,0,0.201457,-0.067503701,0.022318259,-0.071318624,-0.00802978,0.075678344,0,0,0,1.138211674,-0.414275865,0.104539392,-0.317010239,-0.104894958,0.476468197,0,0,0,2.161764706,-0.0859375,0.491071429,-0.5390625,0.401785714,-1.6875,0,0,0,-0.590566383,0.184047761,-0.250182195,0.137246564,-0.109044481,0,0,0,-0.020408287,0.268814506,-0.718468137,0.317932181,-0.336802489,0,0,0,-0.199302691,0.187200965,-0.589380279,0.150659285,0.109983058,0,0,0,-0.008473107,0.237144821,-0.374793879,0.16611033,-0.554873056,0,0,0,-0.335077465,0.110784233,-0.354014128,-0.03985853,0.375655071,0,0,0,-0.363970845,0.091845299,-0.278516068,-0.09215769,0.418611237,0,0,0,-0.039753401,0.227162293,-0.249362245,0.185860058,-0.780612245,0,0,0,1.520294215,0.698280102,1.372637055,0.502340578,1.505597759,0,0,0,0.99899345,0.719827504,1.72220937,0.453796791,1.427264979,0,0,0,1.508256898,0.840546112,1.621523983,0.684445172,0.427618545,0,0,0,0.720275784,0.750501922,1.518072536,0.279192344,2.397618556,0,0,0,1.799320607,0.947271601,1.462873397,0.797404546,0.021351435,0,0,0,1.84360627,0.97277675,1.413902546,0.809958065,7.95E-05,0,0,0,0.598639456,0.484936832,0.730442177,0.450923226,3.918367347,0,0,0,21.3370411,10.91852055,15.80137219,21.69418396,3.099169137,10.91857805,0.5,0.04114589,0.005877984,-2.233441865,22.28262691,3.183232416,2.172665119,21.34855048,10.92354082,15.81075506,21.70464416,3.100663451,10.92359801,0.498531158,0.040804463,0.005829209,-2.239274666,22.27716139,3.182451627,2.172493401,31.67244448,15.43722776,24.33370679,31.10245237,4.443207482,15.43722825,-0.797988956,0.138344891,0.019763556,-1.384603851,21.63833055,3.091190079,2.152126413,21.3606303,10.92880995,15.82060354,21.71562287,3.102231838,10.92886681,0.4969896,0.040446693,0.005778099,-2.245439269,22.27145737,3.181636768,2.172314144,42.73637811,20.28589479,33.53986114,41.19024345,5.884320493,20.2858948,-2.164588529,0.216878781,0.030982683,-1.069891685,22.57720115,3.225314449,2.181858419,22.5448185,11.44554344,16.78858559,22.79215305,3.256021864,11.445576,0.346268372,0.00803646,0.001148066,-3.376636572,21.84568574,3.120812248,2.158802417,23.67211134,12.05265543,16.63026171,24.11231542,3.444616489,12.05267677,1.027142857,0.292578672,0.041796953,-0.860315178,32.26283516,4.608976452,2.431741168,0,11.98873999,16.00602406,-0.344391893,0.323049175,3.207536477,7.558252881,6,16,15,15,5,1,1,0,0,1,13.80607,3.533417117,3.037604279,2.333552793,2.333552793,1.588424659,0.522224586,0.117970851,0.083923071,1.817662423,1.249629723,1.249629723,1.150074981,0.083923071,0.083923071,0.083923071,0.083923071,3.466068967,2.853134826,2.405454588,2.405454588,1.259400619,0.420119699,0.270913902,0.270913902,1.794181691,1.271680617,1.134540686,1.134540686,0.038564209,0.270913902,0.270913902,0.270913902,3.634479183,3.140697539,2.704236987,2.704236987,1.742102394,1.059219522,0.943918427,0.943918427,1.588821114,0.94664648,0.76031856,0.76031856,0.508131374,0.943918427,0.943918427,0.943918427,3.463938191,2.795069413,2.457539916,2.457539916,1.20006097,0.424351379,0.399277246,0.399277246,1.786130607,1.320496453,1.058262671,1.058262671,0.017759361,0.399277246,0.399277246,0.399277246,3.665095864,3.142494296,2.838982085,2.838982085,1.749244622,1.20817354,1.207644823,1.207644823,1.548922241,0.941963967,0.631337262,0.631337262,0.559939678,1.207644823,1.207644823,1.207644823,4.591763037,3.492537345,2.56382137,2.56382137,2.392557164,1.169685496,0.540540541,0.540540541,1.708861385,0.942199748,0.942199748,0.674871466,0.331784403,0.540540541,0.540540541,0.540540541,0,0,0,0,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,1.112372436,0.204124145,0,0,0.75,1,0.25,0.353553391,0.262188697,0.048112522,5.914213562,3.060660172,3.310660172,1,0.75,0,0,0,0.844887652,0.510110029,0.413832521,0.25,0.25,0,0,0,4.89384685,2.175528666,2.326448611,0.401665913,0.144337567,0,0,0,0.699120979,0.362588111,0.290806076,0.100416478,0.048112522,0,0,0,9.138737228,17.10050983,16.3254902,16.6,9.953251497,131.4503174,0.537572778,1.005912343,0.960322953,0.976470588,0.585485382,7.73237161,0.9579,26.902,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,38,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,0,0,1,0,0,0,0,0,0,0,0,3,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.146875,0.458333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.812847222,0,0,1.130208333,0,0,0.812847222,0,0,0,0,0,0,0,0,5.4625,0,0,0,0.458333333,0,0,0,0,0,0,0,-0.317708333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.598263889,4.548611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.548611111,0.458333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.812847222,0,0,0.376736111,0,0,0.812847222,0,0,0,0,0,0,0,0,1.820833333,0,0,0,0.458333333,0,0,0,0,0,0,0,-0.317708333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.598263889,4.548611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.598263889,0.458333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.812847222,0,0,0.376736111,0,0,0.812847222,0,0,0,0,0,0,0,0,1.820833333,0,0,0,0.458333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.598263889,4.548611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.75,2.821428571,0.812847222,9.598263889,0.256944444,-0.317708333,2.410294792,1.567708333,2.598263889,7.29375,1.567708333,2.598263889,7.29375,3.16666,0.45238,0,0.04762,0.5549,0.91905,0.42174,0.5549,0.91905,0.13316,0,-0.13316,0,0.49223,0.22206,0,0.57895,0,0.1579,5.25,0.75,3.75,0.53571,1.5,0.21429,-2.25,-0.32143,0,0,5.13748,0.73393,7.77542,2.63795,0.37685,1.98601,0.28372,3.06066,1.07465,0.15352,0.35334,0.05048,0.35334,0.05048,0,6.02,2,2,2,2,0,0,0.8,1.332820405,2.129567987,2.129567987,2.129567987,1.648690006,0.966633308,22.65794688,36.20265579,36.20265579,36.20265579,28.0277301,16.43276624,0.326075235,0.520999963,0.520999963,0.520999963,0.403352904,0.236487363,2.754642437,1.957894854,1.957894854,1.957894854,2.438772835,3.120829533,0.326075235,0.520999963,0.520999963,0.520999963,0.403352904,0.236487363,12.49498498,19.49342733,19.49342733,19.49342733,12.76235831,4.577677938,25.89308809,19.2936474,19.2936474,19.2936474,15.92750153,6.535748859,7,2.34375,6,7,3,3,1.79,0.8875,1.5,1,0,3,0,0,0.5,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.479,0.465,0.503,0.051,2.47,8,4,3,0,0,0,0,0,0,28,2.079441542,2.302585093,1.791759469,1.945910149,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,3,0.666666667,0.375,0,0,0,0,0,0,0,0.5,0.083333333,0.09375,0,0,0,0,0,0,0,0.677083333,13.63526225,20.45981537,27.27052451,3.895789216,13.63526537,0.14543033,0.020775761,-1.349640695,23.37490452,3.339272074,2.206164093,26.3,109.9803765,3.807354922,3.36729583,3.970291914,4.812184355,5.433722004,6.285998095,6.91274282,7.767687277,8.395929104,9.25157828,69.19742968,2.564949357,0,3.80666249,0,5.198497031,0,6.650279049,0,8.123557835,8.386628821,102.0680796,6.00400468,12.44898539,1.778426484,5.110597039,5.110597039,0,46,4,1.305,28,1.2279375,2.108640194,2.931731605,3.38775715,3.859364489,0,0,0,0,0,97.03488043,130.8591465,95.08675088,69.70659754,37.18392353,0,0,0,0,0,275.4527087,351.2919533,417.0766927,263.2041633,232.071671,0,0,0,0,0,9.580352237,16.5067634,23.18748667,24.10398769,31.98832402,0,0,0,0,0,1.901496662,2.472065892,3.295695339,2.395608251,1.914374933,0,0,0,0,0,180.5610519,339.764087,467.2878044,587.3838837,714.2515207,0,0,0,0,0,4.130890625,7.220418904,8.292897547,8.125048341,17.06671835,0,0,0,0,0,0.446018906,0.606792207,0.791708181,0.586406485,0.62060443,0,0,0,0,0,213.5663849,147.2873227,8.569404367,119.7908914,-82.61449799,-21.04071902,93.77549351,229.9018207,29.61012338,0.640653137,0.441830232,0.025706367,0.359346863,-0.247825693,-0.063117623,71.19390837,49.09930072,2.856673299,39.93316527,-27.54014403,-7.014076782,0.36056194,0.453070673,2.313194102,6.27082805,257.9089834,75.44829282,0.773671378,0.226328622,522.7457335,22.86363343,8.055580321,619.6160943,24.89208899,8.525258636,875.7635213,29.59330197,9.567437131,1.378754346,1.083644388,287.2713943,284.4468041,110.6111369,1.009930118,2.597129027,2.571592808,3.581159323,3.150956353,5.259793432,0.669268896,2.802231592,3.301056264,3.213686242,11.82162489,2.456657141,2.390051981,2.630657737,2.698025179,0.039041377,0.004242149,1.68E-24,1.60E-67,3.03E-132,1.12E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2516794,3.45206047,0.229568739,4.554162958,0.224839382,1.112419594,0.387935666,0.765203356,0.004364392,4.74E-04,1.87E-25,1.79E-68,3.39E-133,1.25E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765034346,3.170975274,0.562019886,5.334929006,0.448133897,1.026498564,0.44020533,0.618117624,0.00756034,8.21E-04,3.25E-25,3.09E-68,5.88E-133,2.16E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650193139,3.451624306,3.35295647,11.66481953,2.841311349,2.364218972,2.478522334,2.930744054,0.049037421,0.005328297,2.11E-24,2.01E-67,3.81E-132,1.40E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.119938123,3.064170121,0.768977837,6.065760966,0.517383535,1.075822018,0.602993137,0.616799243,0.007486142,8.13E-04,3.22E-25,3.06E-68,5.82E-133,2.14E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.384123505,3.39651084,4.463071853,14.18642684,3.515444144,3.064307667,3.666596985,3.812876464,0.057020268,0.006195696,2.45E-24,2.33E-67,4.43E-132,1.63E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.683885602,2.71684982,2.931067723,9.392075075,2.090045333,2.112802085,1.859938695,4.155688428,0.079850942,0.008676419,3.43E-24,3.27E-67,6.21E-132,2.29E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.04699511,1.169325741,0.991311841,0.486495676,0.27790585,0.435663652,0.440788745,0.4284455,4.207632692,5.581981019,12.16242177,0.229743514,1.304897898,2.680709748,0.595135035,0.528039101,0.704729647,0.156454575,0.723595914,0.106403647,0.089787499,3.803883883,3.325158422,7.971467591,0.557094471,0.91978706,2.035735868,0.834991622,0.789974178,0.556105373,0.228096059,0.403875583,0.224568857,0.234040081,3.660701668,3.967622985,8.971140452,0.33415806,0.862484522,2.154213336,1.107390652,1.008576068,0.504478338,0.259331138,0.462558423,0.395363201,0.424030791,4.270180055,5.675131433,12.35132589,0.256717506,1.281952415,1.860644785,0.983267019,0.831973987,0.506175896,0.267491178,0.351465766,0.311556417,0.296987646,3.675885792,4.195571295,9.393562359,0.259263844,0.960009829,2.087630188,1.198598464,1.02153226,0.484620719,0.278241641,0.453476901,0.463164414,0.45508446,4.307760912,5.859218917,12.72308884,0.226931078,1.371725774,2.18502814,1.122006483,1.005900936,0.506622023,0.260149142,0.476904793,0.405754026,0.423609315,4.312935559,5.778164961,12.55718309,0.259933035,1.306268134 +UMLYSI0324,L,propyl-2-propenoate,C=CC(=O)OCCC,unsaturated esters,C6H10O2,925-60-0,13550,UML,,30,0,0.2846,0.08099716,29.8863,18.83193,0,0,18,8,10,0,6,0,2,0,0,0,0,0,0,0,1387.681368,1274.619331,1460.994843,1242.848726,836.731104,636.049223,295.598185,67.647888,6.096384,3284.720409,3749.622277,4237.235729,3791.640815,3071.588431,2523.324219,1773.953191,791.2692929,186.5024666,139.131168,131.440036,217.857252,237.781496,193.794888,128.6705,133.20586,82.617408,40.310784,22.46593705,26.3090631,31.24121343,28.43148559,22.75435085,20.01134488,15.96923587,8.680011884,2.667677429,2980.845228,2498.432887,4496.331925,5204.813886,4075.503538,2678.361375,3016.83348,2060.036303,1109.505912,95.52777778,57.33333333,97.41666667,99.16666667,81.66666667,58,50,20,6,77.09340933,74.97760771,52.17838725,40.09189439,34.863796,37.41466018,16.42212139,5.637324,1.016064,182.4844672,220.5660163,151.3298475,122.310994,127.9828513,148.4308364,98.55295507,65.93910774,31.08374443,7.729509333,7.731766824,7.780616143,7.670370839,8.074787,7.568852941,7.400325556,6.884784,6.718464,1.248107614,1.547591947,1.115757623,0.917144697,0.948097952,1.177137934,0.88717977,0.723334324,0.444612905,165.6025127,146.9666404,160.583283,167.8972221,169.8126474,157.5506691,167.60186,171.6696919,184.917652,5.307098765,3.37254902,3.479166667,3.198924731,3.402777778,3.411764706,2.777777778,1.666666667,1,0.283854323,-0.189927817,0.055725773,0.070463272,-0.099716967,0.025310787,-0.00883835,-0.002399447,0.007455587,663.856216,-9.534489444,28.52780478,146.4723544,-292.9013333,-229.4624534,-193.6166577,47.92,170.6666667,866.1096724,-133.5335166,-187.1546664,146.3240966,48.32151506,-316.2841827,-190.9189441,-16.99224758,217.1831095,1.881856,-0.014157778,0.659976444,-0.291459556,-1.188381333,-0.232221778,-0.260425333,0.213698667,0.172042667,3.87734243,-0.994912954,-1.179502552,0.003211981,1.406268194,-1.175767099,-0.443004228,-0.287552939,0.732588381,21.92945949,-6.116843013,-6.695147252,-1.294866543,9.19780207,-6.05571772,-1.786690523,-1.837528599,3.624261838,38.04475309,-2.747513717,10.81155693,7.250085734,-21.28652263,-7.441958162,-10.46141975,1.136831276,3.716563786,0.015769685,-0.011172225,0.001990206,0.002273009,-0.004154874,0.00148887,-4.91E-04,-2.00E-04,0.001242598,36.88090089,-0.56085232,1.018850171,4.724914659,-12.20422222,-13.49779138,-10.75648098,3.993333333,28.44444444,48.11720402,-7.854912743,-6.684095227,4.720132148,2.013396461,-18.60495192,-10.60660801,-1.416020632,36.19718492,0.104547556,-8.33E-04,0.023570587,-0.009401921,-0.049515889,-0.013660105,-0.014468074,0.017808222,0.028673778,0.215407913,-0.058524291,-0.042125091,1.04E-04,0.058594508,-0.069162771,-0.024611346,-0.023962745,0.122098064,1.218303305,-0.359814295,-0.239112402,-0.041769888,0.383241753,-0.356218689,-0.099260585,-0.153127383,0.60404364,2.113597394,-0.161618454,0.386127033,0.233873733,-0.886938443,-0.437762245,-0.581189986,0.09473594,0.619427298,-0.708462142,0.126204565,0.144137871,-0.263472208,0.094413418,-0.031136922,-0.012679637,0.078796619,-0.015207121,0.027625414,0.128112778,-0.330909005,-0.365983234,-0.291654507,0.108276458,0.771251346,-0.163245411,-0.138912794,0.098096559,0.041843588,-0.38665904,-0.220432758,-0.029428573,0.752271161,-0.007965853,0.225453261,-0.089929612,-0.473620723,-0.130659244,-0.138387493,0.170336094,0.274265406,-0.271690537,-0.195559627,4.81E-04,0.272016507,-0.321078133,-0.114254605,-0.111243569,0.566822555,-0.29534049,-0.196266727,-0.034285295,0.314570068,-0.292389168,-0.081474444,-0.125689049,0.495807273,-0.076466055,0.182687126,0.110651978,-0.419634527,-0.207117139,-0.274976676,0.044822131,0.293067781,1.701652196,0.913770003,1.037858994,1.680871007,0.840701765,0.512496744,0.190427103,0.02830383,0.947774903,0.947051088,0.847594798,1.410467436,1.262339913,1.168518234,0.645886019,0,1.359308315,1.120512327,0.79073309,0.781485144,1.415881503,1.118447608,0.92058348,0,0.720180503,0.812605785,1.168934286,2.087831109,0.881393688,0.896653505,0.044633684,0,1.589299252,1.204184251,0.858830895,0.543495409,1.399699525,0.987260051,0.919294441,0,1.626717752,1.214697561,0.893241473,0.531295531,1.373241344,0.941807339,0.882921098,0,0.65931124,0.544588894,0.78057241,1.966571006,1.463189064,1.508092321,0.260657932,0,31.20532739,15.85266369,24.8400856,31.58032739,3.947540923,15.8526642,0.5,0.187400858,0.023425107,-1.339604266,41.03503262,5.129379077,2.971540925,31.2188506,15.85869088,24.85067874,31.59274896,3.94909362,15.85869138,0.498531158,0.18735806,0.023419757,-1.339786988,41.04205349,5.130256686,2.971677789,43.24227654,21.22214379,34.46042346,42.64378483,5.330473103,21.2221438,-0.797988956,0.160926301,0.020115788,-1.461447023,97.0963006,12.13703757,3.660562621,31.23304359,15.86501659,24.86179732,31.60578579,3.950723223,15.8650171,0.4969896,0.187313187,0.023414148,-1.339978612,41.04946457,5.131183071,2.971822234,56.0322901,26.93385079,44.88162124,54.40884871,6.801106089,26.93385079,-2.164588529,0.146354652,0.018294331,-1.537377986,44.47362352,5.55920294,3.035917027,32.62219891,16.48423364,25.95367689,32.88190019,4.110237524,16.4842339,0.346268372,0.1831336,0.0228917,-1.358031471,41.9858905,5.248236312,2.989866897,35.41828816,17.95112175,28.6597715,35.82569557,4.478211946,17.95112182,0.814814815,0.350159201,0.0437699,-0.839493893,38.55837864,4.819797331,2.921738737,0,11.89,15.99591765,-0.312303595,0.285363905,4.041901795,6.241853798,7,17,15,15,5,2,2,0,0,2,13.80607,3.547581188,3.212745608,2.690440262,2.324961278,1.52414626,1.085357286,0.937236186,0.083923071,1.767679092,1.618547581,1.196762132,0.779202252,0.626836299,0.249767414,0.083923071,0.083923071,3.437473702,3.229157861,2.593913706,2.26953552,1.529496399,1.122426184,0.603524754,0.270913902,1.748863487,1.590507186,1.149476079,0.833837287,0.502291759,0.176384608,0.270913902,0.270913902,3.616143916,3.383382088,2.871288383,2.567309407,1.964554938,1.599780671,1.226144405,0.943918427,1.533218272,1.392052645,0.801297887,0.483881323,0.005680814,0.368444831,0.943918427,0.943918427,3.419360662,3.248958643,2.579675818,2.269154471,1.587758655,1.18121413,0.45958786,0.399277246,1.752925356,1.564312011,1.123745914,0.836482283,0.416874989,0.094504418,0.399277246,0.399277246,3.62921121,3.444297775,2.93079078,2.633323803,2.127894536,1.779121076,1.208936353,1.207644823,1.505883885,1.334891363,0.733511395,0.426678863,0.162290835,0.542095399,1.207644823,1.207644823,4.443378735,3.337105046,3.277818802,2.703836588,1.905835284,1.533868283,1.301284668,0.514285714,1.695824562,1.339631165,0.975636081,0.419513887,0.288184769,0.18709163,0.514285714,0.514285714,0,0,2,1,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.048112522,0,0,0,0.49279928,0.348461713,0.288675135,0.068041382,0.048112522,0.041066607,6.405777394,3.808060412,2.655648531,1.747400241,0.756710003,0.49279928,0.144337567,0,0.800722174,0.54400863,0.379378362,0.291233373,0.189177501,0.164266427,0.144337567,0,5.015167194,2.600953631,1.371621451,0.615111783,0.261579869,0.142258898,0.041666667,0,0.626895899,0.371564804,0.195945922,0.10251863,0.065394967,0.047419633,0.041666667,0,10.13873723,18.10050983,17.3254902,17.6,10.9532515,138.193012,0.563263179,1.00558388,0.962527233,0.977777778,0.608513972,7.677389554,1.05179,31.177,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,63,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,3,0,0,2,0,0,0,0,0,0,0,0,1,1,2,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.81375,4.06045446,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.537328515,0.611875,0,0,1.294477041,0,0,1.149203515,0,0,0,0,0,0,0,0,1.940841837,3.238972978,1.35162037,0,1.162361111,0,0,0,0,-0.34087963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.23041667,4.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.583333333,-0.34087963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.537328515,0.611875,0,0,0.319268707,0,0,0.537328515,0,0,0,0,0,0,0,0,1.940841837,3.238972978,0.490925926,0,1.162361111,0,0,0,0,-0.34087963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.23041667,4.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.23041667,3.238972978,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.537328515,0.611875,0,0,0.581527778,0,0,0.611875,0,0,0,0,0,0,0,0,1.940841837,3.238972978,0.860694444,0,1.162361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.23041667,4.583333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.16666667,2.770833333,0.635763889,10.23041667,0.286458333,-0.34087963,2.893443238,2.007546296,3.230416667,9.105445956,2.007546296,3.230416667,9.105445956,3.66666,0.45833,0,0.04167,0.56296,0.89167,0.42308,0.53667,0.89167,0.13989,0.0263,-0.11359,0,0.51402,0.20027,0,0.36364,0.13636,0,7.25,0.90625,4.25,0.53125,3,0.375,-1.25,-0.15625,0,0,4.35334,0.54417,8.4771,4.12376,0.51547,2.16876,0.27109,3.80805,1.6393,0.20491,0.10595,0.01324,0.10595,0.01324,0,7.02,2,2,2,2,0,0,0.5,1.351644115,2.814015448,3.572431251,3.46132014,3.572431251,3.340768751,24.32959407,50.65227807,64.30376252,62.30376252,64.30376252,60.13383752,0.324141109,0.674835986,0.85671355,0.83006772,0.85671355,0.801157994,2.818280886,1.355909553,0.59749375,0.708604861,0.59749375,0.82915625,0.318189072,0.662444319,0.840982159,0.814825613,0.840982159,0.786446742,12.44827692,25.0587769,25.82312733,24.489794,25.82312733,22.11770542,29.36606616,17.0481498,15.68387709,17.13049376,15.68387709,13.83057709,8,5.142857143,5,8,5,3,1.9,0.9854,0.166666667,2.481111325,0.707106781,0,1.310370697,1.650963624,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.447,0.442,0.598,0.207,3.251,7,6,4,3,1,0,0,0,0,36,2.302585093,2.397895273,2.48490665,1.945910149,1.791759469,1.098612289,0,0,0,0,3.951243719,1.416666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,5,0.714285714,0,3,6,1,1.5,0.666666667,0.25,0.16,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.041666667,0.04,0.018518519,0,0,0,0,0,0.409708995,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,26.3,124.6399025,4,3.36729583,4.007333185,4.691347882,5.361292166,6.052089169,6.72982407,7.422373701,8.102586425,8.795582217,69.52972465,2.708050201,0,3.761200116,0,4.990432587,0,6.289715571,0,7.623153068,7.934871566,114.0680796,6.337115531,14.66013744,1.832517181,5.289109862,5.289109862,0,76,6,1.314,28,1.222117647,2.115949782,2.852307994,3.625491991,4.890686546,5.68155164,6.981634353,7.754733897,0,0,101.1876431,118.2428656,124.8129587,145.731232,196.5182582,104.7585435,41.08703344,7.879305942,0,0,288.0300006,336.7698099,370.9333679,517.2650312,766.9862829,604.9699336,473.4057906,241.0461666,0,0,9.518476599,16.55279139,21.96773784,29.24847077,36.87244767,41.88434205,48.12928226,52.09990052,0,0,1.9784075,2.447252897,2.729739915,3.7727638,6.031718442,5.382289482,5.154354708,3.447854764,0,0,178.3046966,337.1372927,476.1226129,606.3041756,763.4097959,939.2403972,1193.577566,1433.987184,0,0,4.231995098,7.5739536,9.242229416,11.99893466,16.39561591,15.69912525,11.87350309,7.754733897,0,0,0.457822059,0.601760853,0.693606601,0.942175198,1.373772262,1.230099445,1.136654147,0.794084751,0,0,350.3796361,266.6006887,15.51244205,126.077611,-95.93131121,-20.85967027,224.3020251,362.5319999,36.37211232,0.735385259,0.559547977,0.032557889,0.264614741,-0.201342957,-0.043780781,166.9409168,127.0238302,7.391015434,60.07059144,-45.70716844,-9.93874107,0.375008317,0.410397377,5.153762062,6.930777251,410.5409063,65.91634073,0.861653189,0.138346811,620.1159156,24.90212673,8.527550356,717.6232133,26.78849031,8.952936266,1034.669933,32.16628566,10.11425603,2.357367337,2.357367337,618.829397,571.62476,57.23395171,1.082579763,10.812278,9.987511658,3.874899565,4.471995823,8.649419955,0.934129704,3.047222729,2.531281142,3.992138645,9.628974475,2.355583232,2.47769602,0.753257172,7.235848057,2.997201255,2.690626095,3.353850556,2.405780795,4.761830881,2.304708143,0.998900105,0.214491513,9.19E-06,7.59E-32,1.21E-79,3.72E-149,2.21E-240,0,0,0,0,0,0,0,0,0,0.272254603,2.682348767,0.730988156,2.633437628,0.018821368,2.711971523,0.093634845,1.555032928,0.138765928,0.167133617,1.236010121,0.097945681,0.901012774,0.052842732,0.083463889,0.001510681,6.47E-08,5.35E-34,8.52E-82,2.62E-151,1.55E-242,0,0,0,0,0,0,0,0,0,0.831417625,2.401259261,0.884454037,2.961459863,0.17818277,2.149335702,0.20917972,2.267298414,0.519814728,0.54997902,1.667444934,0.384679397,1.175245504,0.263211951,0.269673351,0.015742464,6.74E-07,5.57E-33,8.88E-81,2.73E-150,1.62E-241,0,0,0,0,0,0,0,0,0,2.881445693,2.681856121,4.440085625,9.474151362,2.101174402,2.79381738,0.739743482,7.178265426,2.750606114,2.554750973,3.223893087,2.199281759,4.343693888,2.078661951,0.9426276,0.191108076,8.19E-06,6.77E-32,1.08E-79,3.31E-149,1.96E-240,0,0,0,0,0,0,0,0,0,1.217767211,2.294448585,1.058459099,3.493212549,0.381631698,1.935423971,0.289185409,2.798131233,0.841494092,0.835478016,1.963867226,0.636248842,1.516068168,0.48164156,0.397693482,0.034194734,1.46E-06,1.21E-32,1.93E-80,5.93E-150,3.52E-241,0,0,0,0,0,0,0,0,0,3.679982429,2.626706563,5.460014654,12.51265393,3.429125195,2.704912602,0.926040381,9.288370135,3.991558077,3.505811896,3.835370641,3.244400541,6.516402035,3.241786984,1.207513186,0.312815713,1.34E-05,1.11E-31,1.76E-79,5.43E-149,3.22E-240,0,0,0,0,0,0,0,0,0,1.688926665,2.16806065,4.013271199,7.614641857,0.630333196,3.736851634,0.427579872,5.197219414,1.079692393,1.264098621,2.677975839,0.924039945,2.431897577,0.861473472,0.527135889,0.056730817,2.43E-06,2.01E-32,3.20E-80,9.84E-150,5.83E-241,0,0,0,0,0,0,0,0,0,7.272544229,0.775134541,0.276429008,0.873672521,0.093119234,0.567141156,0.462816345,0.333321856,8.324107778,7.861812096,17.74420555,0.810508782,1.363279356,5.178261952,0.457703378,0.043940355,0.911680975,0.080582919,0.288117044,0.157267494,0.008422164,5.679905685,2.617754306,8.401803379,0.867521462,0.453806702,6.382878088,0.523740497,0.132954654,0.906713784,0.074399467,0.436932588,0.210864402,0.077108748,7.039573239,4.26123883,11.74527572,0.860070676,0.724905738,6.991600815,0.770368456,0.259477543,0.871613435,0.096038592,0.524246233,0.456202836,0.293694703,8.021446815,7.400165442,16.81918652,0.807420153,1.274143772,6.917926599,0.575203448,0.181379258,0.901416146,0.074949867,0.513153053,0.25506704,0.143506576,7.674509305,5.338313605,13.73457002,0.852124219,0.911726669,7.319990902,0.812517408,0.293185679,0.868770087,0.096433292,0.574577077,0.508383978,0.374957516,8.425693988,8.331955,18.501406,0.803155131,1.457918571,7.125597437,0.772317019,0.262300045,0.873212026,0.094644206,0.544550776,0.458316917,0.300118861,8.160214501,7.574843486,17.17855289,0.809818039,1.302986554 +UMLYSI0325,L,"2,2-dimethylbutyric acid",CCC(C)(C)C(=O)O,saturated esters,C6H12O2,595-37-9,11684,PubChem,,30,1,0.9813,0.96294969,31.1945,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1254.953543,1829.804698,1946.998137,881.624778,135.286704,3.048192,0,0,3346.887898,4067.159924,5703.618167,6568.069073,4635.694822,1414.995755,93.25123329,0,0,152.568096,145.535468,253.034584,331.9005,440.811576,238.624704,20.155392,0,0,23.35516286,29.4069354,42.87993339,50.7844261,40.61563636,15.88208775,1.333838715,0,0,3350.680532,2810.190739,5372.590623,6882.564564,9909.111635,6072.087161,554.7529561,0,0,115.5902778,60.625,110.0833333,143.1666667,185.5,67,3,0,0,69.4856748,66.05018647,53.81778524,44.24995766,15.46710137,4.099597091,1.016064,0,0,167.3443949,214.0610486,167.7534755,149.2742971,81.32797933,42.87865925,31.08374443,0,0,7.6284048,7.659761474,7.442193647,7.543193182,7.733536421,7.231051636,6.718464,0,0,1.167758143,1.547733442,1.261174511,1.154191502,0.712555024,0.481275386,0.444612905,0,0,167.5340266,147.9047757,158.0173713,156.4219219,173.8440638,184.0026412,184.917652,0,0,5.779513889,3.190789474,3.237745098,3.253787879,3.254385965,2.03030303,1,0,0,0.318895701,-0.236162541,0.091511059,0.068247689,-0.096801775,-0.001504825,0.015262543,0,0,715.056216,-57.619609,313.18489,-249.639735,-708.338454,275.7648,69.12,0,0,931.2646053,-60.17718714,295.1454029,-808.1984326,-569.8857187,589.5244736,87.95915934,0,0,1.9334688,-0.13838176,1.05914464,0.00264384,-1.73170608,-0.22811232,0.06967728,0,0,4.097118945,-0.201369953,1.062291321,-4.732604292,-1.166643081,2.693068237,0.296698294,0,0,23.01673804,-1.03600506,5.802623853,-27.66978359,-4.665915833,14.59288556,1.467826044,0,0,52.87326389,-5.523003472,26.48524306,3.123263889,-45.70442708,-6.600260417,1.782552083,0,0,0.015944785,-0.012429607,0.002691502,0.001551084,-0.001698277,-4.56E-05,0.005087514,0,0,35.7528108,-3.032611,9.211320294,-5.673630341,-12.42699042,8.356509091,23.04,0,0,46.56323026,-3.167220376,8.680747143,-18.3681462,-9.997995065,17.86437799,29.31971978,0,0,0.09667344,-0.007283251,0.031151313,6.01E-05,-0.030380808,-0.006912495,0.02322576,0,0,0.204855947,-0.010598419,0.031243862,-0.107559188,-0.020467422,0.081608128,0.098899431,0,0,1.150836902,-0.054526582,0.170665407,-0.628858718,-0.081858173,0.442208653,0.489275348,0,0,2.643663194,-0.290684393,0.778977737,0.07098327,-0.801832054,-0.200007891,0.594184028,0,0,-0.779540608,0.168801381,0.097278441,-0.106509855,-0.002859916,0.319070727,0,0,-0.084821611,0.257639052,-0.15869047,-0.347580796,0.233730129,0.644424857,0,0,-0.068019773,0.18642923,-0.39447749,-0.214718674,0.383658477,0.629675382,0,0,-0.075338692,0.322232383,6.22E-04,-0.314262205,-0.071503554,0.240249649,0,0,-0.051735958,0.152516257,-0.525047917,-0.099911293,0.398368363,0.482775496,0,0,-0.047379939,0.148296781,-0.546436004,-0.071129256,0.38424963,0.425147427,0,0,-0.109955154,0.294658464,0.026850346,-0.303303407,-0.075655587,0.224757839,0,0,1.695481741,0.518176774,0.882233545,1.186577825,0.915709361,1.16540524,0,0,1.110587135,0.674729259,1.120224396,1.353431524,0.591593313,0,0,0,1.411385197,0.966316335,1.528718316,0.976512104,0.224367578,0,0,0,0.785543578,0.286273714,0.752503174,1.734475019,1.011095455,0,0,0,1.537152843,1.063656221,1.724203258,0.810121304,0.078422024,0,0,0,1.547882111,1.06408509,1.748791144,0.793107964,0.068405532,0,0,0,0.78804794,0.325697509,0.751027597,1.716631095,1.001823853,0,0,0,28.58753574,14.54376787,20.44941193,28.96253574,3.620316967,14.54376946,0.5,0.158364447,0.019795556,-1.474285021,105.5580649,13.19475811,3.727408944,28.5926105,14.54557083,20.4517622,28.96650887,3.620813608,14.54557242,0.498531158,0.158186848,0.019773356,-1.475182691,105.1823603,13.14779503,3.724556486,33.1600778,16.18104442,22.73234707,32.56158608,4.070198261,16.18104468,-0.797988956,0.010301439,0.00128768,-3.660377342,36.90569717,4.613212147,2.886692747,28.59793677,14.54746318,20.45422936,28.97067897,3.621334871,14.54746477,0.4969896,0.158000417,0.019750052,-1.476126085,104.7919652,13.09899565,3.721581681,38.11544376,17.97542762,25.60688711,36.49200237,4.561500296,17.97542766,-2.164588529,0.189221333,0.023652667,-1.331870298,31.44233614,3.930292017,2.758524216,29.12007449,14.73317143,20.69813596,29.37977577,3.672471971,14.73317271,0.346268372,0.139579907,0.017447488,-1.575294423,79.05530661,9.881913327,3.496118153,34.93713881,17.74251307,25.88113653,35.55037774,4.443797217,17.74251315,1.270502646,0.246534178,0.030816772,-1.120203713,143.1756807,17.89696008,3.97125793,0,11.99635523,15.99825889,-0.350788202,0.284226972,4.193307483,8.667002813,7,19,18,18,6,1,1,0,0,1,14.076484,3.639471933,2.971667767,2.688802743,2.333552793,1.758331264,1.699593836,0.656706129,0.083923071,1.888838985,1.484189654,1.249629723,0.985283023,0.797700542,0.258811239,0.083923071,0.083923071,3.597420429,2.88795573,2.618259096,2.405454588,1.801171348,1.359939617,0.632371651,0.270913902,1.859479321,1.403875046,1.134540686,1.130665005,0.686963473,0.30288121,0.270913902,0.270913902,3.72214953,3.130011021,2.92421674,2.704236987,2.178098504,1.964963807,1.02947317,0.943918427,1.695474567,1.110228294,0.760644522,0.76031856,0.233759377,0.288193259,0.943918427,0.943918427,3.598121499,2.901602008,2.578718366,2.457539916,1.861624373,1.289645389,0.647187372,0.399277246,1.847008567,1.36432711,1.17267041,1.058262671,0.601833477,0.33347142,0.399277246,0.399277246,3.750366711,3.192405137,2.965145148,2.838982085,2.33753858,2.009412965,1.207644823,1.207644823,1.661859719,1.028804281,0.742254355,0.631337262,0.080032599,0.379428349,1.128005502,1.207644823,4.867602328,3.835178147,3.426866139,2.953868105,2.619831427,1.970643081,1.057286733,0.576,1.78334325,1.200772794,0.891831427,0.534014301,0.271481082,0.318166894,0.576,0.576,0,0,1,0,0,3,1,0,1,0,0,0,0,0,0,0,0,0,0,1.33915195,0.204124145,0.696923425,0.204124145,1.002750328,0.176776695,0.110193269,0.032274861,2.937122946,1.632993162,0.40824829,1.346985657,0.662728732,0.064549722,6.78445705,3.504035845,3.496835125,2.474179755,0.40824829,0,0,0,0.848057131,0.500576549,0.349683512,0.274908862,0.204124145,0,0,0,5.562568667,2.738391115,2.542589431,1.462840145,0.151225725,0,0,0,0.695321083,0.391198731,0.254258943,0.162537794,0.075612863,0,0,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.5072,31.7078,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,41,1,0,2,1,1,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.701666667,0,18.69333333,-0.722222222,7.193545139,0,0,0,0,0,0,0,0,0.701666667,0,0,0,0,0,0,0,0,0,0,0,0,0,1.410833333,0,0,0,0,0,0,0,0,0,0,0,5.304351852,0,0.68287037,0,0,0,0,0,0,-0.722222222,0,0,-0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.44125,10.25208333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.701666667,0,8.44125,-0.722222222,7.193545139,0,0,0,0,0,0,0,0,0.701666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305625,0,0,0,0,0,0,0,0,0,0,0,1.717592593,0,0.68287037,0,0,0,0,0,0,-0.722222222,0,0,-0.541666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.44125,10.25208333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.701666667,0,10.25208333,0,7.193545139,0,0,0,0,0,0,0,0,0.701666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368402778,0,0,0,0,0,0,0,0,0,0,0,1.869166667,0,0.68287037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.44125,10.25208333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.41666667,2.927083333,0.701666667,10.25208333,0.305625,-0.722222222,2.589748519,2.388888889,3.252083333,11.38666667,2.388888889,3.252083333,11.38666667,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.82593,0.11359,0,-0.11359,0.06574,0.51402,0.20027,0,0.59091,0.13636,0.13636,5.5,0.6875,4,0.5,1.5,0.1875,-2.5,-0.3125,0,0,7.01145,0.87643,9.90646,2.89501,0.36188,2.6471,0.33089,3.50403,0.85693,0.10712,0.40997,0.05125,0.40997,0.05125,0,7.02,2,2,2,2,1,1,0.833333333,1.295461844,2.18149633,2.695461844,3.10869497,2.892598565,2.128212946,25.90923688,43.62992659,53.90923688,62.17389939,57.8519713,42.56425892,0.299741647,0.504750723,0.623671145,0.719284287,0.669284287,0.492422109,3.026466251,2.140431765,1.626466251,1.213233125,1.42932953,2.193715149,0.299741647,0.504750723,0.623671145,0.719284287,0.669284287,0.492422109,12.01211119,20.31476814,22.34686572,22.76333241,20.17017555,10.99754813,29.38046565,20.17128495,18.17626446,17.86882451,16.57224609,9.992775515,8,2.52,2.222222222,8,3,4,1.9,1.0284,1.144714243,1.889881575,1.310370697,2.381101578,0,0.5,1,0,1,0,0.5,0,0,0,0,0,0,0,0,0.591,0.462,0.449,0.429,0.131,3.457,10,9,2,0,0,0,0,0,0,36,2.197224577,2.564949357,2.564949357,1.386294361,0,0,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.285714286,6,0.857142857,0,2,4,1,3.5,1.777777778,0.25,0,0,0,0,0,0,0,0.5,0.177777778,0.027777778,0,0,0,0,0,0,0,0.705555556,16.06827955,22.34529085,32.1365591,4.017069888,16.06827984,0.01922542,0.002403178,-3.16121752,41.53164167,5.191455208,2.981164469,37.3,127.2763612,4,3.555348061,4.290459441,5.105945474,5.883322388,6.693323668,7.479299638,8.287780027,9.075779879,9.883743923,75.2550025,2.708050201,0,4.007333185,0,5.517452896,0,7.089243155,0,8.678461339,8.908829792,116.0837296,5.804186481,14.27167969,1.783959961,4.689218335,4.689218335,0,62,9,1.236,34,1.229578947,2.134002251,2.939623251,3.438916808,3.685944589,4.89630384,0,0,0,0,92.08966391,128.768391,137.219758,59.71701127,18.75607823,4.974958065,0,0,0,0,288.1231014,390.4539674,452.0178376,286.6771993,171.5529974,152.1954572,0,0,0,0,9.432046034,16.01576397,22.27048739,26.68898068,27.27458046,32.89564108,0,0,0,0,2.040068737,2.871942743,3.452687977,2.461529811,1.811580221,2.176959873,0,0,0,0,179.4133939,332.6301106,458.2648174,597.6821687,677.4451603,905.4130097,0,0,0,0,3.940089912,7.361403187,9.894278991,11.55590005,8.706604294,4.89630384,0,0,0,0,0.454475163,0.647554133,0.825454149,0.654881846,0.487782224,0.501381513,0,0,0,0,274.6591701,220.7510041,9.173936269,189.8152899,-152.5596827,-29.05462454,84.84388015,373.3106868,38.22856081,0.591333203,0.47527049,0.019751218,0.408666797,-0.328456559,-0.062553761,127.5721697,102.5332034,4.261059095,88.16435429,-70.86007624,-13.49513104,0.329138377,0.411962724,0.972990063,13.05797272,372.7394636,91.73499636,0.802497222,0.197502778,550.3862609,23.46031246,8.195130268,673.8787456,25.95917459,8.767193385,1019.604002,31.93123866,10.06492425,1.338675981,1.253326742,362.6921027,309.8395808,164.6237413,1.170580278,2.20315794,1.882107516,3.783805456,3.220194404,5.446702271,0.691420327,4.005726564,4.858745006,2.614613262,22.368789,3.585041428,7.463152052,7.054079956,3.101245194,1.370676238,1.511694148,1.01E-13,1.31E-48,3.29E-105,1.59E-183,1.48E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.378443999,4.88264779,0.136280107,8.071581451,1.328324376,1.93613555,0.500543954,0.290524199,0.019118288,0.168333671,1.13E-14,1.47E-49,3.68E-106,1.78E-184,1.65E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.019639131,4.837802472,0.493932342,9.765714067,1.503573512,1.767257496,1.304052289,0.75781969,0.105188639,0.291985479,1.96E-14,2.55E-49,6.37E-106,3.08E-184,2.87E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.074777414,4.882753006,2.410618265,21.83451261,3.637818727,7.346828717,6.955686484,3.260413929,1.224422448,1.896459301,1.27E-13,1.65E-48,4.13E-105,2.00E-183,1.86E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.40858653,4.820774426,0.783481991,11.16858754,1.636945784,2.06502948,1.897235045,1.016748921,0.220808728,0.289663096,1.94E-14,2.52E-49,6.31E-106,3.05E-184,2.84E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.071314651,4.874068638,3.429863117,27.56872504,4.648255814,10.08442005,9.541336298,4.015117792,1.997225938,2.207829491,1.48E-13,1.92E-48,4.81E-105,2.32E-183,2.16E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.834920282,4.034427612,1.09052387,18.5409592,4.089575017,8.383691829,5.892487184,3.584668408,0.481001163,2.998881081,2.02E-13,2.62E-48,6.55E-105,3.16E-183,2.95E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.353310403,1.132377278,1.08161278,0.515251936,0.247931418,0.46840403,0.371998626,0.428731022,4.567300462,6.434999574,13.88461988,0.272877903,1.269133677,2.567730287,0.990337434,0.481430465,0.635655759,0.24516348,0.665471294,0.292232677,0.084935782,4.039498186,4.255881621,9.519618688,0.453483639,1.042639753,2.140298297,1.009238797,0.760372265,0.547403559,0.258123323,0.393115232,0.316112667,0.211873487,3.909909359,4.554892732,10.10726099,0.321105338,0.921101387,2.413805548,1.191215308,1.030251834,0.520747259,0.256989262,0.489326615,0.423580938,0.388966474,4.635272689,6.589441464,14.18706125,0.281120889,1.301874027,2.073437775,0.977621307,0.893476248,0.525648169,0.247841945,0.361224119,0.283450839,0.29254652,3.94453533,4.753085769,10.50873047,0.288472254,0.937221479,2.408300816,1.164241423,1.112163552,0.514077281,0.248519646,0.490927226,0.392580615,0.453292186,4.68470579,6.777094832,14.58013324,0.271115922,1.336800027,2.410250442,1.202290792,1.032870404,0.518845396,0.258812541,0.487888725,0.432166861,0.390946054,4.645411638,6.629108835,14.26759496,0.278268094,1.31100164 +UMLYSI0326,L,1-hexanol,CCCCCCO,saturated alcohols,C6H14O,111-27-3,8103,PubChem,,30,0,-1.5494,2.40064036,24.8219,20.697102,0,0,21,7,14,0,6,0,1,0,0,0,0,0,0,0,1135.777623,1087.00373,1075.958905,899.523456,702.766727,506.009998,309.253269,68.616576,3.048192,3192.664609,3993.903654,4933.699886,4548.57643,3541.778085,2534.97974,1528.181395,609.4474637,93.25123329,152.653308,149.736848,269.4739,340.95828,278.07338,215.18848,152.30358,89.278848,20.155392,23.60118467,30.29468402,41.61935403,41.49008327,32.46855441,23.44702555,14.42549669,6.274751507,1.333838715,3535.064551,2963.092506,5878.926572,8098.324457,6619.369302,5140.414147,3661.458992,2188.016594,554.7529561,65.25,48,72.75,80.5,68.25,56,46,28,3,54.08464871,54.3501865,29.07997041,18.740072,18.01965967,16.86699993,14.72634614,5.718048,1.016064,152.0316481,199.6951827,133.3432402,94.76200895,90.81482268,84.49932466,72.77054261,50.78728864,31.08374443,7.269205143,7.4868424,7.283078378,7.1032975,7.130086667,7.172949333,7.252551429,7.439904,6.718464,1.123865937,1.514734201,1.124847406,0.864376735,0.832527036,0.781567518,0.686928414,0.522895959,0.444612905,168.3364072,148.1546253,158.8899074,168.7150929,169.727418,171.3471382,174.3551901,182.3347162,184.917652,3.107142857,2.4,1.966216216,1.677083333,1.75,1.866666667,2.19047619,2.333333333,1,0.229977263,-0.100501007,-0.034042755,0.015218583,9.59E-04,0.001148919,0.009991894,-0.022238549,0.01447536,638.6281311,-66.44114433,-289.4754411,7.817131102,7.492556735,7.167982367,6.843408,-37.36113037,44.64257198,965.983639,-78.0117429,-463.1743891,-17.94589771,-18.64893188,-19.35196606,-20.05500023,67.30637952,66.88972883,1.082321143,-0.089402612,-0.163457633,-0.001408327,-0.018234122,-0.035059918,-0.051885714,-0.20854351,0.026831265,4.253148428,-0.249912087,-1.893902999,-0.191490224,-0.206866224,-0.222242224,-0.237618224,0.617789452,0.257668316,23.45618849,-1.219488698,-10.02632141,-1.239130012,-1.352578687,-1.466027361,-1.579476036,3.819831947,1.335096011,23.80952381,-2.437641723,-3.140589569,-0.37414966,-0.884353741,-1.394557823,0.345238095,-4.510204082,0.491496599,0.010951298,-0.00502505,-9.20E-04,3.17E-04,2.46E-05,3.83E-05,4.76E-04,-0.001853212,0.00482512,30.41086339,-3.322057216,-7.823660569,0.162856898,0.192116839,0.238932746,0.325876571,-3.113427531,14.88085733,45.9992209,-3.900587145,-12.51822673,-0.373872869,-0.478177741,-0.645065535,-0.955000011,5.60886496,22.29657628,0.051539102,-0.004470131,-0.004417774,-2.93E-05,-4.68E-04,-0.001168664,-0.002470748,-0.017378626,0.008943755,0.202530878,-0.012495604,-0.051186568,-0.00398938,-0.005304262,-0.007408074,-0.011315154,0.051482454,0.085889439,1.116961357,-0.060974435,-0.27098166,-0.025815209,-0.034681505,-0.048867579,-0.075213145,0.318319329,0.445032004,1.133786848,-0.121882086,-0.084880799,-0.007794785,-0.022675737,-0.046485261,0.016439909,-0.37585034,0.1638322,-0.458854308,-0.084015104,0.028951254,0.002245194,0.003497056,0.043447313,-0.169223081,0.440597989,-0.109239161,-0.257265322,0.005355221,0.006317375,0.007856822,0.010715795,-0.102378794,0.489327026,-0.084796809,-0.272139973,-0.008127809,-0.010395344,-0.014023401,-0.020761221,0.121933912,0.48471639,-0.0867328,-0.085716935,-5.69E-04,-0.00907159,-0.022675287,-0.047939297,-0.337193027,0.17353339,-0.06169728,-0.252734636,-0.019697637,-0.026189894,-0.036577505,-0.055868782,0.254195582,0.424080712,-0.054589565,-0.242606119,-0.023111998,-0.03104987,-0.043750465,-0.067337284,0.284986877,0.398430976,-0.1075,-0.074864865,-0.006875,-0.02,-0.041,0.0145,-0.3315,0.1445,1.37954023,0.823117783,0.634747018,0.781343362,0.979137559,1.320093606,2.447474408,1.515934686,1.420617299,1.324129084,0.862706173,0.867359397,0.874804556,0.88863128,1.037714299,0,1.575881923,1.442066361,0.917380237,0.890052497,0.846328112,0.765125685,0.410177059,0,1.044336986,0.899444286,0.675061499,0.808370906,1.021665957,1.417785338,2.623411131,0,1.628819317,1.457192053,0.926060194,0.897068529,0.850681865,0.764535204,0.207937543,0,1.633454525,1.449877654,0.923389777,0.897434497,0.855906049,0.778781788,0.194265222,0,1.071,0.87972973,0.669375,0.813076923,1.043,1.38,2.66,0,32.11436424,16.18218212,26.09001637,32.29293567,4.613276525,16.1821824,0.25,0.030815079,0.004402154,-2.4358258,43.9576304,6.279661485,2.648258357,32.11768486,16.18347522,26.09182917,32.2957317,4.613675957,16.1834755,0.249265579,0.030727163,0.004389595,-2.437825762,44.0061837,6.286597672,2.649031114,35.08637826,17.34369189,27.80500647,34.8013822,4.971626029,17.34369197,-0.398994478,0.052632632,0.007518947,-2.061093283,37.49285762,5.356122517,2.536905316,32.12116998,16.18483239,26.09373202,32.29866626,4.614095181,16.18483267,0.2484948,0.030634878,0.004376411,-2.439931278,44.05737421,6.293910601,2.649844921,38.27821598,18.59796086,29.88390525,37.50514865,5.357878379,18.59796088,-1.082294264,0.149013196,0.021287599,-1.332604287,29.7712014,4.253028772,2.375479071,32.46249537,16.31781478,26.28123647,32.58616264,4.655166092,16.31781502,0.173134186,0.021529702,0.003075672,-2.686825261,50.62243651,7.231776645,2.747076421,32.41027666,16.49464858,27.01258678,32.79882097,4.685545853,16.49464882,0.666666667,0.056773627,0.008110518,-2.008078366,34.4541928,4.922027543,2.477741488,0,11.99635526,15.9979425,-0.42171644,0.069681619,3.906198159,6.816523603,6,20,20,20,6,0,0,0,0,0,15.304898,3.4559393,3.122578287,2.630700468,2.07891342,1.590503582,1.258478818,1.096070311,0.083923071,1.881202434,1.62671052,1.274804605,0.93027151,0.678276651,0.535869826,0.386558174,0.083923071,3.47406144,3.119557366,2.611131145,2.063527704,1.603409053,1.307524335,1.151216812,0.270913902,1.824342388,1.570092695,1.210567547,0.843956192,0.563178685,0.396271857,0.310822074,0.270913902,3.614318404,3.315466087,2.884159398,2.422098995,2.043073853,1.806049925,1.699663344,0.943918427,1.630609835,1.315311423,0.87266453,0.417503013,0.062046582,0.149380923,0.302016223,0.943918427,3.49362704,3.13841363,2.63244454,2.094837756,1.653045815,1.377642251,1.188382978,0.399277246,1.788767043,1.535359501,1.170137509,0.788054833,0.488046324,0.306874557,0.225974004,0.399277246,3.674527235,3.384554633,2.971939039,2.540466261,2.197499355,1.988260722,1.890097149,1.207644823,1.572831903,1.245571179,0.781667647,0.29486061,0.096949927,0.337705863,0.475830989,1.207644823,4.439739993,3.489832904,3.094697457,2.541654522,2.024062505,1.671565069,1.489612642,0.631578947,1.722301282,1.372273389,0.9339063,0.532982093,0.245266181,0.087071845,0.353162314,0.631578947,0,0,0,0,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,4.982747501,3.023334547,1.78426697,1.011667274,0.538580094,0.255833637,0.079056942,0,0.711821072,0.503889091,0.356853394,0.252916818,0.179526698,0.127916818,0.079056942,0,10.50759373,20.54552076,19.42745098,19.72,12.07012096,162.609612,0.500361606,0.978358131,0.925116713,0.939047619,0.574767665,7.743314856,1.559,31.2278,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,1,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.688202948,0,8.292882653,0,0,0,0,0,0,0,0,0,0,0.688202948,0,0,0,0,0,0,0,0,0,0,0,0,0,1.711797052,0,0,0,0,0,0,0,0,0,0,0,2.164061791,0,5.043055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.292882653,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.688202948,0,8.292882653,0,0,0,0,0,0,0,0,0,0,0.688202948,0,0,0,0,0,0,0,0,0,0,0,0,0,0.220408163,0,0,0,0,0,0,0,0,0,0,0,2.164061791,0,0.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.292882653,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.688202948,0,8.292882653,0,0,0,0,0,0,0,0,0,0,0.688202948,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.164061791,0,1.264444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.292882653,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.5,2.214285714,0.688202948,8.292882653,0.220408163,0.361111111,3.365627472,1.138888889,2.292882653,4.913888889,1.138888889,2.292882653,4.913888889,3.33333,0.47619,0,0.02381,0.46984,0.80952,0.42174,0.46984,0.74583,0.0481,0,-0.0481,0.06369,0.58823,0.12606,0,0.25,0,0,3.25,0.46429,3.25,0.46429,0,0,-3.25,-0.46429,0,0,5.8357,0.83367,6.60412,0.76842,0.10977,3.07596,0.43942,3.41421,0.33826,0.04832,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6.01,1,1,1,1,1,1,1,1.115520094,1.720616645,2.832560875,3.272804327,2.789865782,2.538905878,23.42592197,36.13294954,59.48377838,68.72889087,58.58718142,53.31702344,0.253970737,0.391733219,0.644889839,0.745120175,0.635169436,0.578033333,3.276797329,2.671700778,1.559756548,1.119513095,1.602451641,1.853411545,0.258107046,0.398113205,0.655392874,0.757255617,0.64551416,0.587447505,9.935135927,14.47586075,18.7371274,17.73880599,15.5534768,16.14207351,25.72285013,20.89659384,16.8717082,17.83051516,20.96533857,15.53145305,7,6,6,7,0,6,2.01,1.0127,0,1.919259748,0,0,5.676240019,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.385,0.375,0.449,0.205,3.618,5,4,3,2,1,0,0,0,0,28,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.666666667,6,1,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,20.23,121.1225932,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,102.1044651,4.862117384,12.83378878,1.833398397,2.401269389,2.401269389,0,56,4,1.989,22,1.2214,2.118312316,2.830967796,3.523217421,4.857279787,5.795571436,7.021345031,7.406263713,0,0,77.91771384,68.73967883,64.97483733,83.46467027,98.10081082,102.3982948,42.71686754,7.525237933,0,0,269.3444456,301.4901584,294.4487298,378.1838184,448.9193903,461.3980728,365.4885218,230.2144084,0,0,9.169769619,15.48013453,20.18259682,25.45091926,35.08182809,42.4988767,52.69773254,49.75871613,0,0,1.986542612,2.496186069,2.586326327,3.288521144,4.008847373,4.188325591,3.689839637,3.292920424,0,0,178.525005,333.3665256,474.5013111,585.5463781,825.212838,1001.676761,1280.116668,1369.548896,0,0,2.99595,4.267155142,4.922877153,6.807771986,9.600590489,13.89444138,17.21935926,7.406263713,0,0,0.431093955,0.552319544,0.581759129,0.750635638,0.940641029,1.04315466,0.996968356,0.758401404,0,0,384.4211814,250.3760602,17.75129982,169.013046,-110.0793157,-22.8318098,215.4081354,360.4553759,40.58310962,0.69461042,0.452404365,0.032074814,0.30538958,-0.198902255,-0.041254785,212.7518395,138.5666814,9.824176902,93.53760454,-60.92166102,-12.63590502,0.322004325,0.60755672,11.12674332,22.85663631,481.2590078,72.1752196,0.869586636,0.130413364,408.0877446,20.20118176,7.417391191,552.0501458,23.4957474,8.203380253,611.2181139,24.72282577,8.486567545,2.463069719,2.463069719,683.9502378,662.0642484,41.90300337,1.033057199,16.32222473,15.79992352,4.051593168,4.466158665,7.980979597,0.786989714,4.340044604,5.125387609,3.893519489,19.46482091,7.346290655,0.093792948,4.421836536,5.067435305,7.943074242,0.729165296,2.036587284,3.869117053,3.58335602,0.066947844,1.933612406,4.00E-12,1.60E-45,1.23E-100,1.83E-177,5.26E-276,0,0,0,0,0,0,0,0,0,0,0.38413492,5.252196966,0.345206759,4.324442918,0.054108015,0.023757267,0.586128499,0.189388679,2.378540741,0.023670973,0.223428806,0.20111333,0.163635886,0.084303014,0.215664972,4.47E-13,1.79E-46,1.38E-101,2.05E-178,5.88E-277,0,0,0,0,0,0,0,0,0,0,1.120585269,5.0159772,0.861354264,5.332692255,0.545258582,0.019007377,1.155371461,0.766785331,2.965477787,0.10113764,0.386638664,0.698140874,0.560132454,0.045495107,0.373880021,7.74E-13,3.10E-46,2.39E-101,3.55E-178,1.02E-276,0,0,0,0,0,0,0,0,0,0,4.319606141,5.251915795,4.161838733,18.04873843,6.547043117,0.091379664,4.80155894,4.620821214,8.112210008,0.662435874,1.907090972,3.601891626,3.40291356,0.087467836,2.426982552,5.02E-12,2.01E-45,1.55E-100,2.30E-177,6.61E-276,0,0,0,0,0,0,0,0,0,0,1.584635688,4.92622563,1.135700187,6.601996434,1.178548681,0.021845497,1.434634262,1.287357062,3.367640813,0.174073112,0.562923792,1.102311549,0.887474465,0.030971004,0.370616585,7.67E-13,3.07E-46,2.36E-101,3.52E-178,1.01E-276,0,0,0,0,0,0,0,0,0,0,5.421862594,5.205652366,5.19801516,26.41364406,10.7061527,0.131075526,5.83462091,6.889081127,10.24979354,1.002961716,2.730623407,5.143240819,4.909487135,0.08188171,2.824048164,5.84E-12,2.33E-45,1.80E-100,2.68E-177,7.68E-276,0,0,0,0,0,0,0,0,0,0,4.045935836,5.914224473,5.1908952,11.59829707,2.936723698,0.093038705,6.354532186,2.420090236,8.989179682,0.338943699,1.327441599,2.606458589,2.564885317,0.304320747,4.618491872,9.57E-12,3.83E-45,2.95E-100,4.39E-177,1.26E-275,0,0,0,0,0,0,0,0,0,0,6.19101773,0.806027212,0.47289515,0.828790814,0.107902768,0.56643099,0.637088268,0.571416222,7.469940092,8.298997375,18.12874515,0.743186221,1.77493548,6.59587204,0.31232229,0.097969646,0.941438434,0.044578216,0.643326691,0.094893814,0.024524825,7.006163975,2.736831212,9.944816367,0.912157651,0.76274533,5.931177599,0.52276352,0.256042567,0.883933237,0.077908315,0.519881524,0.267989262,0.167512489,6.709983686,4.75308693,12.25695704,0.825899855,0.955383275,6.351200763,0.783935139,0.456248517,0.836632742,0.103266426,0.596122718,0.602701022,0.531894839,7.591384419,8.234324626,18.09733822,0.754949113,1.730718579,5.770886612,0.617391639,0.328508865,0.859173666,0.091917702,0.492238674,0.372894702,0.275750959,6.716787116,5.661503181,13.54873359,0.788760499,1.140884336,6.275995224,0.837819002,0.497291064,0.824583945,0.110078493,0.582082221,0.688448861,0.63189389,7.61110529,8.795784299,19.02171963,0.736875917,1.902424972,6.37084594,0.785471466,0.457567757,0.836740482,0.10316303,0.5998155,0.605073633,0.53497523,7.613885163,8.278617805,18.18222588,0.755110723,1.739864363 +UMLYSI0327,L,ethyl 2-methylbutyrate,CCC(C)C(=O)OCC,saturated esters,C7H14O2,7452-79-1,24020,PubChem,,29.3,0,0.3197,0.10220809,34.4466,23.259102,0,0,23,9,14,0,7,0,2,0,0,0,0,0,0,0,1536.009745,1467.311804,1815.138845,1829.497885,1393.55913,746.504139,351.186361,93.979872,9.144576,3832.572288,4632.085644,5813.371337,5981.992788,5163.705724,3842.170582,2663.391441,1341.178331,279.7536999,173.54554,167.45108,302.118764,355.783324,333.607872,274.29438,208.76266,183.793536,60.466176,27.03328867,33.55214034,44.60979951,45.90126827,39.50661663,32.54642986,26.38557672,16.01813686,4.001516144,3847.310193,3237.717434,6440.121636,7793.376298,7023.721458,6071.728851,4980.684596,4802.005979,1664.258868,96.30555556,60.97222222,106.3333333,124.0833333,144.5833333,94,46,33,9,66.78303239,66.69599109,45.37847112,38.92548691,33.17997929,20.73622608,11.70621203,3.480736,1.016064,166.6335777,210.5493475,145.3342834,127.2764423,122.9453744,106.7269606,88.77971471,49.67327153,31.08374443,7.545458261,7.611412727,7.5529691,7.569857957,7.943044571,7.619288333,6.958755333,6.807168,6.718464,1.175360377,1.525097288,1.115244988,0.976622729,0.940633729,0.904067496,0.879519224,0.593264328,0.444612905,167.2743562,147.1689743,161.0030409,165.816517,167.2314633,168.6591348,166.0228199,177.8520733,184.917652,4.187198068,2.771464646,2.658333333,2.640070922,3.442460317,2.611111111,1.533333333,1.222222222,1,0.270014541,-0.168936421,0.038764119,0.047569999,-0.018019771,-0.053052263,0.003795051,0.009628691,0.005243325,799.1117029,-15.00476101,115.5881665,144.3420988,-507.6024836,-457.9013265,-151.023404,277.2504367,194.7954217,1081.795272,-149.5950004,-66.47700414,114.2033315,-371.4215519,-259.0385631,-360.5503166,293.3327608,258.6487081,1.975925913,0.013204083,0.812761369,-0.276699909,-1.356466276,-0.96910856,0.219249853,0.394663146,0.174433338,4.769103567,-1.066326256,-0.682196631,-0.224257062,-0.628532827,0.209022001,-1.703126716,0.806002463,0.904863245,26.67799994,-6.490143964,-4.002168585,-2.671939614,-2.198103048,3.131416877,-9.291603974,3.647871915,4.535670425,38.38164251,-1.586063852,10.55245747,-0.09026465,-21.0121298,-18.46691871,2.531190926,5.780245747,3.100661626,0.011739763,-0.007678928,9.69E-04,0.001012128,-4.29E-04,-0.001473674,1.27E-04,3.57E-04,5.83E-04,34.74398708,-0.682034591,2.889704163,3.071108485,-12.08577342,-12.71948129,-5.034113465,10.26853469,21.64393574,47.03457702,-6.799772747,-1.661925103,2.429858118,-8.843370284,-7.195515641,-12.01834389,10.86417633,28.73874534,0.085909822,6.00E-04,0.020319034,-0.005887232,-0.032296816,-0.026919682,0.007308328,0.014617154,0.019381482,0.207352329,-0.048469375,-0.017054916,-0.004771427,-0.014965067,0.005806167,-0.056770891,0.029851943,0.100540361,1.159913041,-0.295006544,-0.100054215,-0.056849779,-0.052335787,0.086983802,-0.309720132,0.135106367,0.503963381,1.668767066,-0.072093811,0.263811437,-0.001920524,-0.500288805,-0.512969964,0.084373031,0.214083176,0.344517958,-0.654095698,0.082548771,0.086213638,-0.036546068,-0.125528431,0.01077549,0.030376952,0.049625503,-0.019630291,0.083171346,0.088392517,-0.347852231,-0.366091585,-0.144891646,0.295548541,0.622954864,-0.144569659,-0.035334114,0.051661103,-0.188018493,-0.15298353,-0.255521462,0.230982758,0.611013156,0.006986228,0.236515845,-0.068528044,-0.375938574,-0.31334813,0.085069765,0.170145312,0.225602632,-0.233753706,-0.0822509,-0.023011205,-0.072172169,0.028001454,-0.2737895,0.143967243,0.484876929,-0.254335052,-0.0862601,-0.049012104,-0.04512044,0.074991658,-0.267020131,0.116479738,0.434483761,-0.043201842,0.158087634,-0.001150864,-0.299795469,-0.307394588,0.050560101,0.128288232,0.206450598,1.653831729,0.966240246,1.323968709,1.727345771,1.039373645,0.133518164,0.065413218,2.10E-04,1.090358552,0.921021686,0.919704723,1.494668534,1.375162959,0.888804302,0.370335126,0,1.504503624,1.098818674,0.90682005,1.085010065,1.038769636,1.220884882,0.508702034,0,0.709899086,0.71758318,1.201170844,2.168915184,1.617356299,0.070414516,0.029339382,0,1.714180848,1.17704081,0.979596406,0.965221238,0.848799658,1.238043108,0.515851295,0,1.747015013,1.186280531,1.011226047,0.968818474,0.814035884,1.202209855,0.500920773,0,0.612271869,0.518856986,0.976829399,2.356450598,1.91328928,0.109861548,0.063687854,0,39.22372692,19.86186346,29.40631674,39.61261581,4.401401757,19.86186347,0.5,0.03626718,0.004029687,-2.985157881,41.90493613,4.656104015,3.361863265,39.2367611,19.86764613,29.41535399,39.62450756,4.402723062,19.86764614,0.498531158,0.035901659,0.003989073,-2.994274586,41.95243021,4.661381134,3.362882726,50.91391007,25.05796055,38.06544921,50.29325199,5.58813911,25.05796055,-0.797988956,0.197331137,0.021925682,-1.460584855,44.76601496,4.974001663,3.421304331,39.25044115,19.87371537,29.42484107,39.63698861,4.404109846,19.87371538,0.4969896,0.035518294,0.003946477,-3.003936645,42.00253462,4.666948291,3.363956968,63.46458982,30.65000064,47.96983966,61.78102096,6.864557885,30.65000064,-2.164588529,0.314382734,0.034931415,-1.041429723,32.72888669,3.636542966,3.139432266,40.5908376,20.46855298,30.36408108,40.86015744,4.540017494,20.46855299,0.346268372,7.01E-04,7.79E-05,-6.536288309,48.56627659,5.396252954,3.494636453,41.60013889,21.05628466,31.88264287,42.20784864,4.689760961,21.05628466,1.093877551,0.256165071,0.028462786,-1.225739909,33.32470295,3.702744772,3.155669057,0,11.89,15.99591816,-0.315725056,0.264315116,4.35049414,7.881067025,8,22,21,21,7,1,1,0,0,1,18.178898,3.597220985,3.162549037,2.846832146,2.565901188,1.915548292,1.78981365,1.101154847,0.958613683,1.847854579,1.644777654,1.442871142,1.027272653,0.863453761,0.689071253,0.254736415,0.083923071,3.526288468,3.133719343,2.827872541,2.520264366,1.910181803,1.808310571,1.142722622,0.604219456,1.823432673,1.59622959,1.358215575,1.063286461,0.752540193,0.636120191,0.188672865,0.270913902,3.68128601,3.346705201,3.055315771,2.814045515,2.281580163,2.191635025,1.619864815,1.22671934,1.634815724,1.327204903,1.06043265,0.715541809,0.311948047,0.193925379,0.351552799,0.943918427,3.522405888,3.142885841,2.8478491,2.508145682,1.957676336,1.846186641,1.201784295,0.459592349,1.817509687,1.564811589,1.308327367,1.072177434,0.67674515,0.581092911,0.109719481,0.399277246,3.706069769,3.410986491,3.136448745,2.873201756,2.4217031,2.322615905,1.796925572,1.208936353,1.599511071,1.261076944,0.975167259,0.666213734,0.16994357,0.062776666,0.522442637,1.207644823,4.818025085,3.401371558,3.327939454,2.900051166,2.536327487,2.084848943,1.635659238,1.359340374,1.718524071,1.404009063,1.141603924,0.647940728,0.507141849,0.290882567,0.271538897,0.583333333,0,0,1,0,0,4,1,1,0,0,0,0,0,0,0,0,0,0,0,0.471404521,0,0.166666667,0,0.252236668,0,0.034020691,0,1.207106781,1.138071187,0.922588984,0.486944716,0.351710566,0.258061296,7.276020882,4.218744015,3.151491193,2.359372008,1.142228525,0.402368927,0.11785113,0,0.808446765,0.527343002,0.350165688,0.262152445,0.190371421,0.134122976,0.11785113,0,6.308060412,3.385410682,2.061344156,1.301337828,0.451184464,0.201184464,0.058925565,0,0.700895601,0.423176335,0.22903824,0.144593092,0.075197411,0.067061488,0.058925565,0,12.22239284,22.87618354,21.77647059,22.12,13.55036048,177.5068275,0.531408384,0.994616676,0.946803069,0.96173913,0.589146108,7.717688154,1.5956,36.088,22.67893804,33.43671099,45.35787608,5.039764009,22.67893804,0.074496444,0.008277383,-2.337303502,115.5661487,12.84068319,4.274858774,70,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,1,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.5074537,-0.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.487569444,0.5125,0,0,0,0,0,0,0,0,0,0,5.666527778,0,1.349212963,0,0,0,0.060138889,0,0,-0.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.75185185,4.755601852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.755601852,-0.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305625,0.5125,0,0,0,0,0,0,0,0,0,0,1.819722222,0,0.489259259,0,0,0,0.060138889,0,0,-0.083333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.75185185,4.755601852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.75185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,1.973796296,0,0.859953704,0,0,0,0.060138889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.75185185,4.755601852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.5,2.5,0.555902778,10.75185185,0.203055556,-0.083333333,3.135569676,1.75,3.751851852,10.01490741,1.75,3.751851852,10.01490741,4.16666,0.46296,0,0.03704,0.52319,0.87037,0.42414,0.52319,0.87037,0.09905,0,-0.09905,0,0.53191,0.18238,0,0.44,0.24,0,6.25,0.69444,4.75,0.52778,1.5,0.16667,-3.25,-0.36111,0,0,7.45773,0.82864,10.5916,3.13387,0.34821,3.16517,0.35169,4.21873,1.05356,0.11706,0.19527,0.0217,0.19527,0.0217,0,8.02,2,2,2,2,0,0,0.857142857,1.264672679,1.999307329,3.109243477,3.729446195,3.729446195,3.445813066,29.08747163,45.98406858,71.51259998,85.77726248,85.77726248,79.25370053,0.279574524,0.441976334,0.687344068,0.824449014,0.824449014,0.761747733,3.258889277,2.524254627,1.414318479,0.794115761,0.794115761,1.07774889,0.279574524,0.441976334,0.687344068,0.824449014,0.824449014,0.761747733,11.60803893,20.77103861,24.16211898,24.7871748,24.7871748,21.38357726,32.94327953,20.86971424,17.5966628,16.2791668,16.2791668,16.41574818,9,4.839506173,3.555555556,9,3,4,2.01,1.1693,0.66943295,2.481111325,2.620741394,0,0.25,2.149139864,0,1,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.426,0.519,0.065,3.629,9,9,6,3,1,0,0,0,0,45,2.302585093,2.48490665,2.564949357,2.197224577,1.386294361,0.693147181,0,0,0,0,3.988984047,1.177777778,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.5,7,0.875,0,3,6,1,2,1.333333333,0.5,0.16,0.055555556,0,0,0,0,0,0.25,0.148148148,0.055555556,0.026666667,0.018518519,0,0,0,0,0,0.498888889,22.67893804,33.43671099,45.35787608,5.039764009,22.67893804,0.074496444,0.008277383,-2.337303502,115.5661487,12.84068319,4.274858774,26.3,144.5723458,4.169925001,3.555348061,4.262679877,5.003946306,5.739792912,6.487684018,7.230563153,7.979681302,8.724695047,9.473857817,75.4582485,2.833213344,0,3.970291914,0,5.313205979,0,6.739336627,0,8.201660191,8.470101584,130.0993797,5.656494769,16.4847872,1.831643022,5.25891456,5.25891456,0,98,9,1.779,34,1.233227273,2.114942646,2.870407051,3.614559957,4.48218735,5.459997862,6.36222418,7.811163989,0,0,92.90307534,106.3851313,121.9474223,137.736786,108.4600534,74.19641029,24.89441338,7.936642527,0,0,281.9160909,330.081039,389.2226295,480.999404,525.7007597,523.9586124,336.767968,242.8002251,0,0,9.447098999,16.09560894,21.81194733,28.66587099,34.48135753,38.12343433,43.40767273,52.47902406,0,0,1.992608666,2.481499594,2.935023644,3.609475121,4.330486356,5.071597604,3.940292211,3.472944311,0,0,179.7781318,337.004575,472.5614434,597.862462,748.1077469,896.6469089,1123.653541,1444.422104,0,0,3.502431818,5.925637137,7.799098987,12.48872269,12.22132866,8.655294252,8.023927052,7.811163989,0,0,0.450467386,0.584899173,0.716080452,0.913071417,1.030241202,1.097721819,0.880142071,0.799863192,0,0,362.0597503,283.9241299,11.2417315,167.282683,-131.1816355,-17.35281436,194.7770674,415.1057654,28.59454586,0.683980213,0.536371377,0.021237163,0.316019787,-0.247819988,-0.032781831,191.6535892,150.2930898,5.950725507,88.54982244,-69.44000615,-9.185580978,0.337013024,0.402561875,1.144649354,1.788462802,487.414075,41.92835823,0.920791617,0.079208383,648.0661598,25.45714359,8.653791915,783.6846649,27.99436845,9.219636166,1153.065487,33.95681798,10.48619649,1.791290544,1.746649176,716.2376123,631.4477566,130.4791861,1.134278497,5.489286329,4.839451989,4.336489009,4.434143809,8.525339268,0.922657368,3.917833806,5.241522387,3.591211751,16.6475886,6.189095148,6.218198243,5.716246725,8.036439541,5.4142358,3.689545613,3.841656192,2.385455167,1.646861806,3.215169661,0.041033352,1.975447144,3.28E-10,1.11E-41,7.22E-95,9.06E-170,2.20E-266,0,0,0,0,0,0,0,0,0,0.345304163,5.392468551,0.306204344,5.551147852,0.802865073,2.532377211,1.321790532,0.666204028,0.317519141,0.198140721,1.948613199,0.109985397,0.217137405,0.022736344,0.003440122,0.013913236,2.31E-12,7.81E-44,5.08E-97,6.38E-172,1.55E-268,0,0,0,0,0,0,0,0,0,1.067266495,5.11138739,0.739298308,6.600719,1.191824582,2.553103948,1.824740421,1.587483494,0.846997108,0.488999221,2.235262278,0.414487763,0.355739983,0.236208745,0.011107455,0.144986644,2.41E-11,8.13E-43,5.30E-96,6.65E-171,1.61E-267,0,0,0,0,0,0,0,0,0,3.703230625,5.392084111,3.865465851,17.0451174,6.013125892,6.144143689,5.800274712,8.129777167,4.925134232,3.846848004,3.690473194,2.18956062,1.505125759,2.86472069,0.038729712,1.76008784,2.92E-10,9.87E-42,6.43E-95,8.07E-170,1.96E-266,0,0,0,0,0,0,0,0,0,1.565372702,5.004587327,0.965348391,7.423860137,1.568069966,2.802519782,2.195815431,2.202765569,1.362329636,0.682000205,2.461659095,0.671017355,0.496384848,0.512852985,0.016372694,0.314930364,5.23E-11,1.77E-42,1.15E-95,1.44E-170,3.50E-267,0,0,0,0,0,0,0,0,0,4.731374743,5.337003488,4.88598655,21.03474232,8.725226254,7.788909892,7.341728335,10.89804463,7.43919077,5.336829715,4.441490499,3.175020378,2.233197234,4.688727234,0.049565205,2.881004004,4.79E-10,1.62E-41,1.05E-94,1.32E-169,3.20E-266,0,0,0,0,0,0,0,0,0,2.456710395,5.02118899,2.86175033,17.08612306,4.189224549,6.084803452,5.282039654,7.561848037,2.357240048,2.575986922,2.840145283,1.017967213,0.86114663,1.094452325,0.027909884,0.672200764,1.12E-10,3.77E-42,2.46E-95,3.08E-170,7.47E-267,0,0,0,0,0,0,0,0,0,6.854055609,1.137062931,0.545997887,0.802853712,0.133190515,0.54834473,0.441797356,0.486148992,8.537116427,12.1566264,24.94897329,0.704280567,1.476291079,4.706398146,0.881645696,0.175574281,0.816570086,0.152967403,0.259094051,0.276205847,0.046717094,5.763618123,5.130492448,11.62263422,0.724855129,0.582016992,5.857601734,0.905128365,0.323907117,0.826570001,0.127723254,0.400618691,0.281485031,0.170924098,7.086637216,7.492377888,16.29633225,0.739855002,0.853027821,6.634920563,1.141308399,0.527428906,0.799035879,0.137446462,0.513965143,0.446459374,0.454269902,8.303657868,11.6738985,23.97150678,0.698553818,1.414694418,6.356456341,0.945529625,0.39418391,0.825924641,0.122857167,0.471566825,0.305304667,0.253201143,7.696169876,8.888543156,18.95384417,0.738886961,1.030072634,6.929533287,1.172114809,0.572350648,0.798885669,0.135129696,0.560506818,0.469577891,0.534430782,8.673998745,12.75919213,26.08194222,0.698328503,1.564515491,6.679497061,1.15796117,0.53227605,0.798053658,0.138351008,0.520932006,0.459799182,0.462663464,8.369734282,11.90628955,24.39296522,0.697080487,1.443394652 +UMLYSI0328,L,3-pentanol,CCC(CC)O,saturated alcohols,C5H12O,584-02-1,11428,PubChem,,29.1,0,-0.9841,0.96845281,23.5831,17.603516,0,0,18,6,12,0,5,0,1,0,0,0,0,0,0,0,989.481374,918.525433,1047.196341,924.136508,400.536025,90.93168,9.144576,0,0,2706.980219,3340.91352,4157.215774,3915.283615,2727.610504,1247.927098,279.7536999,0,0,131.675864,127.961068,226.90794,286.894208,243.837604,163.638144,60.466176,0,0,19.92305886,25.2786954,34.06730449,33.54359167,25.5846203,14.68429815,4.001516144,0,0,3038.434891,2530.053054,4954.678529,6588.328228,5664.217717,4247.253023,1664.258868,0,0,62.27777778,43.33333333,66.25,92,75,30,9,0,0,54.97118744,54.03090782,33.78052713,23.6958079,12.1374553,3.78882,1.016064,0,0,150.3877899,196.5243247,134.1037346,100.3918876,82.65486376,51.99696242,31.08374443,0,0,7.315325778,7.527121647,7.319610968,7.356261744,7.389018303,6.818256,6.718464,0,0,1.106836603,1.486982082,1.098945306,0.860092094,0.775291524,0.611845756,0.444612905,0,0,168.8019384,148.8266503,159.8283396,168.931493,171.6429611,176.9688759,184.917652,0,0,3.459876543,2.549019608,2.137096774,2.358974359,2.272727273,1.25,1,0,0,0.220916318,-0.112108781,0.001581439,0.019267737,-0.052395812,0.0283973,0.004799957,0,0,557.7912351,-66.11605249,-82.74028647,-43.74232996,-328.6979093,106.2665152,136.1344454,0,0,815.6252945,-79.2452518,-254.7450064,-82.37876295,-291.8851641,103.7120216,196.7295164,0,0,1.059967111,-0.095141383,0.003255753,-0.18348563,-0.502407259,0.154566519,0.093228444,0,0,3.576219349,-0.265723223,-1.464103123,-0.495926169,-0.542438663,0.24299,0.737091504,0,0,19.7674611,-1.32649563,-8.520916016,-3.006162159,-1.807642676,0.993742542,3.783743387,0,0,23.75308642,-4.15877915,-1.01920439,-0.085390947,-10.90843621,2.366255144,1.929012346,0,0,0.012273129,-0.006594634,5.10E-05,4.94E-04,-0.001587752,0.001183221,5.33E-04,0,0,30.98840195,-3.889179558,-2.669041499,-1.121598204,-9.960542705,4.427771466,15.12604949,0,0,45.31251636,-4.6614854,-8.21758085,-2.112275973,-8.845004973,4.321334232,21.85883516,0,0,0.058887062,-0.005596552,1.05E-04,-0.00470476,-0.015224462,0.006440272,0.010358716,0,0,0.198678853,-0.015630778,-0.047229133,-0.012716056,-0.016437535,0.010124583,0.081899056,0,0,1.098192283,-0.078029155,-0.274868259,-0.077081081,-0.054777051,0.041405939,0.420415932,0,0,1.319615912,-0.244634068,-0.032877561,-0.002189511,-0.330558673,0.098593964,0.214334705,0,0,-0.537322982,0.004156573,0.040254165,-0.129368144,0.096407434,0.043454982,0,0,-0.12550436,-0.086130337,-0.036194129,-0.321428085,0.142884795,0.488119701,0,0,-0.102874123,-0.181353443,-0.046615729,-0.195200039,0.095367342,0.482401705,0,0,-0.095038736,0.001783487,-0.079894625,-0.258536629,0.109366496,0.175908183,0,0,-0.078673586,-0.237715954,-0.064003065,-0.082734197,0.050959542,0.412218285,0,0,-0.071052361,-0.250291559,-0.070189057,-0.049879289,0.037703724,0.382825429,0,0,-0.185382781,-0.024914493,-0.001659204,-0.250496125,0.074714137,0.162422037,0,0,1.441835455,0.730198968,1.106100284,1.603515071,0.408280036,0,0,0,1.409452341,1.137818133,1.025935174,1.293520062,0.461221426,0,0,0,1.590373361,1.337815477,0.949813871,1.011263777,0.586538643,0,0,0,1.043987109,0.822591682,1.334941952,1.713577353,0.047545343,0,0,0,1.655711089,1.428720052,0.954985373,0.877747704,0.598020254,0,0,0,1.661705788,1.443354215,0.966465797,0.854855571,0.587692542,0,0,0,1.146049896,0.842033566,1.253998081,1.70791202,0.089462058,0,0,0,20.48424608,10.36712304,15.60319102,20.65091275,3.441818791,10.367203,0.25,2.34E-16,3.90E-17,-21.5945822,3000004.229,500000.7049,8.948474554,20.48715358,10.36820958,15.60427756,20.65333063,3.442221772,10.36828944,0.249265579,2.38E-16,3.96E-17,-21.58493016,3000004.229,500000.7049,8.948474554,23.11915886,11.36008219,16.59615017,22.85316254,3.808860424,11.36010905,-0.398994478,2.64E-16,4.40E-17,-21.5223154,3000004.229,500000.7049,8.948474554,20.49020524,10.36935002,15.605418,20.65586844,3.44264474,10.36942977,0.2484948,1.17E-16,1.95E-17,-22.01042277,3000004.229,500000.7049,8.948474554,25.99373482,12.45572028,17.76488038,25.27220531,4.212034218,12.45572904,-1.082294264,0.156267879,0.026044647,-1.113710141,32.60302982,5.433838303,2.090643134,20.78962176,10.48137797,15.71744595,20.90504455,3.484174092,10.48144791,0.173134186,3.58E-16,5.96E-17,-21.33979447,3000004.229,500000.7049,8.948474554,22.67072772,11.62703053,18.19007901,23.05961661,3.843269435,11.62705582,0.583333333,2.40E-16,3.99E-17,-21.58040393,3000004.078,500000.6797,8.948474524,0,11.89,15.99491589,-0.392504821,0.065108807,4.581744683,6.855005489,5,17,17,17,5,0,0,0,0,0,13.118484,3.46179812,2.902564078,2.45020918,1.726505411,1.598026915,0.869871873,0.083923071,0.083923071,1.84282221,1.563026335,1.114906261,0.769718516,0.597364197,0.285570659,0.083923071,0.083923071,3.45159127,2.950308951,2.383199868,1.695309721,1.60664093,0.948916999,0.270913902,0.270913902,1.800499119,1.473453684,1.062477916,0.630337185,0.580486486,0.148430833,0.270913902,0.270913902,3.604345854,3.155598408,2.718673573,2.120216645,2.090117344,1.49908293,0.943918427,0.943918427,1.597651593,1.195492746,0.673894311,0.162386152,0.014647061,0.450210452,0.943918427,0.943918427,3.463006259,2.985267979,2.399098612,1.765276817,1.60015617,1.018731147,0.399277246,0.399277246,1.774751622,1.415133181,1.034276625,0.547971474,0.536857124,0.046643965,0.399277246,0.399277246,3.655397916,3.252217518,2.803978208,2.26277616,2.236498878,1.705686017,1.207644823,1.207644823,1.546046051,1.104407163,0.576574831,0.004703131,0.108076948,0.65294828,1.207644823,1.207644823,4.289730788,3.271376884,3.106652036,2.255021256,1.874277641,1.25611368,0.6,0.6,1.68962311,1.283767308,0.748289814,0.397162369,0.058615032,0.324285348,0.6,0.6,0,0,0,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.129099445,0,0,0,0.577350269,0.288675135,0,0.25819889,0.129099445,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.438777427,2.488909033,1.470320087,0.942498641,0.288675135,0,0,0,0.739796238,0.497781807,0.294064017,0.23562466,0.288675135,0,0,0,8.965765927,17.6576839,16.70196078,16.96,10.27156647,139.5813569,0.498098107,0.980982439,0.92788671,0.942222222,0.570642582,7.754519827,1.1673,26.5888,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.51E-16,4.19E-17,-21.5515951,3000004.229,500000.7049,8.948474554,29,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.602777778,0,8.666666667,0,0,0,0,0,0,0,0,0,0,0.602777778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.597222222,0,0,0,0,0,0,0,0,0,0,0,3.960648148,0,1.770833333,0,0,0,-0.064814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.602777778,0,8.666666667,0,0,0,0,0,0,0,0,0,0,0.602777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.980324074,0,0.885416667,0,0,0,-0.064814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.602777778,0,8.666666667,0,0,0,0,0,0,0,0,0,0,0.602777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.980324074,0,0.885416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.666666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,2.388888889,0.602777778,8.666666667,0.2625,-0.064814815,2.53699537,1.398148148,2.666666667,5.333333333,1.398148148,2.666666667,5.333333333,2.83333,0.47222,0,0.02778,0.47593,0.82778,0.42,0.47593,0.75238,0.05593,0,-0.05593,0.0754,0.57047,0.14382,0,0.47059,0.17647,0,2.75,0.45833,2.75,0.45833,0,0,-2.75,-0.45833,0,0,4.94825,0.82471,5.73058,0.78233,0.13039,2.52648,0.42108,2.80805,0.28157,0.04693,0.10595,0.01766,0.10595,0.01766,0,5.01,1,1,1,1,1,1,1,1.134969975,1.833605679,2.641604168,2.641604168,2.409941668,1.594402779,20.42945954,33.00490222,47.54887502,47.54887502,43.37895002,28.69925001,0.272179949,0.439721501,0.633489611,0.633489611,0.577934056,0.382357663,3.034955027,2.336319323,1.528320834,1.528320834,1.759983334,2.575522223,0.27767102,0.448592623,0.646269892,0.646269892,0.589593535,0.390071504,10.25843817,15.60956847,16.42388957,16.42388957,13.64393957,5.478475726,21.93297423,16.70416525,17.25848056,17.25848056,15.86850556,9.556976394,6,3.2,3,6,0,5,1.9,0.8718,0.25,2.309401077,1,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,2.891,5,4,1,0,0,0,0,0,0,21,1.791759469,1.791759469,1.609437912,0.693147181,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.51E-16,4.19E-17,-21.5515951,3000004.229,500000.7049,8.948474554,20.23,103.8266085,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,88.088815,4.893823056,10.6758508,1.779308466,2.382088123,2.382088123,0,31,4,1.1,20,1.216411765,2.109456663,2.837767185,3.480028973,4.481040284,5.71185753,0,0,0,0,77.15821427,80.22774842,74.88118539,50.1477063,19.3994207,5.803612809,0,0,0,0,263.9099389,303.8103253,305.2442982,319.5048824,251.2648853,177.5459197,0,0,0,0,9.180431628,15.53605194,20.96503225,25.68476229,30.6400324,38.37490919,0,0,0,0,1.941447524,2.433242608,2.556275668,2.933791437,2.887757037,2.539565568,0,0,0,0,178.6200885,333.8264647,476.7067518,588.2875059,786.0626582,1056.223283,0,0,0,0,3.153882353,4.718798422,6.88373284,7.906305299,5.81963598,5.71185753,0,0,0,0,0.425350094,0.553804064,0.606759893,0.686820346,0.643049293,0.584894211,0,0,0,0,335.4808947,193.8877494,13.30525732,157.7923733,-91.19448715,-16.65448629,177.6885214,285.0822366,29.95974361,0.680111647,0.393063565,0.0269734,0.319888353,-0.1848762,-0.033763205,165.4837573,95.6396438,6.563127761,77.83475967,-44.98380271,-8.215212879,0.363563845,0.679123554,7.648680863,17.92879904,445.8352926,47.43797544,0.903830233,0.096169767,346.0061755,18.60124124,7.020390718,470.5945044,21.69319028,7.778256915,555.2486122,23.56371389,8.219192661,1.91052409,1.91052409,293.0066545,254.5102644,67.3752271,1.151256729,4.348878173,3.777505106,3.495478908,3.220194404,6.42424645,0.994987148,3.782243497,4.176847,2.888636564,12.42258577,6.724788054,1.634169419,3.527856074,8.407094306,1.622543825,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337322539,4.3037216,0.225974352,4.241622169,0.449337384,0.036582708,0.307488076,0.333548636,0.940625909,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0.969469194,4.067497395,0.649042657,4.643085201,0.851418431,0.150455816,0.760213287,1.321857408,0.987597981,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.793087398,4.303382321,2.894917209,12.41627183,6.153641673,1.539875968,3.320056449,7.679466809,1.548172241,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.361918399,3.977740142,0.921502565,5.161585117,1.394559365,0.271715605,1.116098183,2.19617127,1.047225431,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.748236975,4.257081772,3.752865132,16.15275326,9.49149678,2.379757704,4.623916014,11.36614645,1.934951627,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.484116726,4.516875743,2.474008558,11.58835823,3.573018715,1.002994948,2.145647842,3.669080219,1.59785533,1.718839852,0.058521852,0.405615798,2.89E-15,3.97E-51,1.05E-108,5.38E-188,5.30E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.863918775,0.813898426,0.567370812,0.736659728,0.155170496,0.542823503,0.44776075,0.476338294,5.245188012,5.798894351,12.82837132,0.604989592,1.466922548,2.726589511,0.627470715,0.164383046,0.774942013,0.178337596,0.270091724,0.251639161,0.036471688,3.518443272,2.262205707,6.061884548,0.662413019,0.558202574,3.359449719,0.611606358,0.33405638,0.780339597,0.142065129,0.41011591,0.253399246,0.166307347,4.305112457,3.381217425,8.372702434,0.670509395,0.829822503,3.767049099,0.831771238,0.549414111,0.731716696,0.161564367,0.515931476,0.458152547,0.432057699,5.148234449,5.659979882,12.52970625,0.597575044,1.406141722,3.608158046,0.634527112,0.410039263,0.775493607,0.13637754,0.473158157,0.284495484,0.263479742,4.652724422,4.029141603,9.6206403,0.663240411,1.021133383,3.902262439,0.846734171,0.593473124,0.730422938,0.15849115,0.553693343,0.480906677,0.514785722,5.342469734,6.122580807,13.42599195,0.595634407,1.549385742,3.786556158,0.831517239,0.550665786,0.732587972,0.160874289,0.521285309,0.457938209,0.434156295,5.168739182,5.691601737,12.5941599,0.598881959,1.413379813 +UMLYSI0329,L,methyl-2-methyl-2-propenoate,C=C(C)C(=O)OC,unsaturated esters,C5H8O2,80-62-6,6658,UML,,29,0,1.1651,1.35745801,26.4176,15.738344,0,0,15,7,8,0,5,0,2,0,0,0,0,0,0,0,1241.385119,1106.141034,1333.381327,1262.47621,540.596786,133.177968,15.24096,0,0,2799.036018,3096.632142,3553.227573,3428.740425,2443.923317,1262.10278,466.2561665,0,0,118.153724,109.664256,174.61246,150.239152,199.869896,78.293952,100.77696,0,0,18.78781124,21.29307448,24.76179984,23.96167603,18.53809418,12.24898741,6.669193573,0,0,2484.215568,2065.393435,3614.9045,2884.104118,4229.857865,1684.348025,2773.76478,0,0,91.80555556,53.61111111,85.5,96.16666667,94.5,25,15,0,0,82.75900793,79.01007386,60.60824214,66.44611632,22.52486608,12.107088,1.016064,0,0,186.6024012,221.1880102,161.5103442,180.4600224,101.8301382,114.7366164,31.08374443,0,0,7.876914933,7.833161143,7.93693,7.907323789,8.327912333,7.117632,6.718464,0,0,1.252520749,1.520933891,1.125536356,1.261140844,0.772420591,1.11354431,0.444612905,0,0,165.6143712,147.5281025,164.3138409,151.7949536,176.2440777,153.1225477,184.917652,0,0,6.12037037,3.829365079,3.886363636,5.061403509,3.9375,2.272727273,1,0,0,0.278576791,-0.183306119,0.020528102,0.150567263,-0.146747558,-0.011098493,0.030768409,0,0,573.1575397,-7.196493084,215.4366381,-115.8287445,-527.9906669,-332.6321707,481.6326673,0,0,712.315963,-128.7342236,311.6049876,-505.0383923,-13.20452036,-601.0014573,580.2156245,0,0,1.815918933,-0.036867271,0.488773564,-0.070012516,-1.930829227,0.082626916,0.558349067,0,0,3.205580421,-0.988385284,1.410850564,-3.264900863,1.899429005,-2.5228865,1.863102869,0,0,18.28483394,-6.119230739,7.91414648,-19.54602624,12.89927172,-13.34107656,9.05049837,0,0,36.38148148,-4.226419753,8.846049383,6.826049383,-38.83814815,-3.555679012,12.75740741,0,0,0.018571786,-0.013093294,9.33E-04,0.007924593,-0.006114482,-0.001008954,0.002051227,0,0,38.21050265,-0.51403522,9.792574457,-6.096249709,-21.99961112,-30.23928825,32.10884448,0,0,47.48773087,-9.195301686,14.16386307,-26.58096801,-0.550188349,-54.63649612,38.68104163,0,0,0.121061262,-0.002633377,0.02221698,-0.003684869,-0.080451218,0.007511538,0.037223271,0,0,0.213705361,-0.070598949,0.064129571,-0.171836888,0.079142875,-0.229353318,0.124206858,0,0,1.218988929,-0.43708791,0.359733931,-1.028738223,0.537469655,-1.212825142,0.603366558,0,0,2.425432099,-0.301887125,0.402093154,0.359265757,-1.618256173,-0.323243547,0.850493827,0,0,-0.705009965,0.050242639,0.426700629,-0.329234979,-0.05432724,0.110448574,0,0,-0.013452721,0.256279656,-0.159543824,-0.575747755,-0.791386822,0.840314632,0,0,-0.193635314,0.298263632,-0.559743907,-0.011585905,-1.150539205,0.814548114,0,0,-0.021752429,0.183518491,-0.030438054,-0.664549636,0.06204741,0.307474666,0,0,-0.33035647,0.300084053,-0.804083184,0.370336405,-1.073222107,0.581206092,0,0,-0.358565939,0.295108448,-0.843927453,0.440914304,-0.994943525,0.49497296,0,0,-0.124467358,0.16578207,0.148124434,-0.667203247,-0.133272561,0.350656622,0,0,1.681900332,1.036244523,1.110303153,1.469053237,0.196210861,0.009643919,0,0,0.886528078,0.727968982,1.062778607,1.671502595,1.478584864,0,0,0,1.336742001,0.645406476,1.602799834,0.720734489,2.212349541,0,0,0,0.733270619,0.902555308,0.898903911,2.366383169,0.091420381,0,0,0,1.608393009,0.654493379,1.936662984,0.296338363,2.197720559,0,0,0,1.651977177,0.669148216,1.9920263,0.261692628,2.092903274,0,0,0,0.686399267,0.594951089,0.872576177,2.57810114,0.349828325,0,0,0,20.56144625,10.53072312,15.88715018,20.9185891,2.988369872,10.53081554,0.5,0.011095557,0.00158508,-3.150847388,23.52191849,3.360274069,2.210552882,20.57092295,10.53472706,15.89299223,20.92701664,2.989573805,10.53481907,0.498531158,0.010702695,0.001528956,-3.176081773,23.54400465,3.363429236,2.211209846,29.10921585,14.15561344,21.64700477,28.53922373,4.077031962,14.15561534,-0.797988956,0.252457539,0.036065363,-0.963558546,34.69967266,4.957096094,2.482711177,20.58086946,10.53892953,15.89912551,20.93586204,2.990837434,10.53902111,0.4969896,0.010290551,0.001470079,-3.203570407,23.56727979,3.366754256,2.21190151,38.32251859,18.07896503,28.42849286,36.77638392,5.253769132,18.07896506,-2.164588529,0.379270547,0.054181507,-0.678653839,21.84449843,3.120642633,2.158764371,21.55645814,10.95136326,16.50856606,21.8037927,3.114827528,10.95142136,0.346268372,0.029115654,0.004159379,-2.475535514,26.41763123,3.773947319,2.291822146,23.75539424,12.22528242,19.29084014,24.19949908,3.457071297,12.22530151,0.878730159,0.140727461,0.020103923,-1.372651113,18.66088424,2.665840606,2.048500707,0,11.99640053,15.99825848,-0.346265087,0.288042452,4.126494583,7.138629039,6,14,12,12,4,2,2,0,0,2,11.619656,3.589380112,2.955072893,2.486285217,2.217129918,1.094348679,0.597901492,0.083923071,0.083923071,1.749691149,1.424273989,1.131461919,0.718864096,0.083923071,0.083923071,0.083923071,0.083923071,3.507783153,2.85111268,2.395923574,2.260956115,0.641992906,0.598198359,0.270913902,0.270913902,1.748713226,1.394909719,1.034402413,0.835601515,0.270913902,0.270913902,0.270913902,0.270913902,3.646631781,3.131251346,2.698571971,2.551105562,1.256908781,1.008889966,0.943918427,0.943918427,1.581723681,1.055780824,0.672618415,0.490155642,0.943918427,0.943918427,0.943918427,0.943918427,3.4965923,2.836101498,2.404482018,2.277713124,0.639391347,0.465090304,0.399277246,0.399277246,1.758059213,1.37403492,0.983908832,0.845056847,0.399277246,0.399277246,0.399277246,0.399277246,3.656635008,3.187809852,2.775617272,2.641238815,1.209058083,1.207644823,1.207644823,1.207644823,1.56099323,0.991973142,0.569409588,0.435903322,1.129626867,1.207644823,1.207644823,1.207644823,4.280859053,3.321601922,2.999623908,2.470977377,1.6776797,0.827992074,0.483870968,0.483870968,1.625161975,1.212573238,0.833616968,0.375123789,0.483870968,0.483870968,0.483870968,0.483870968,0,0,2,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.218443362,0,0.029462783,0,1.276142375,0.707106781,0.23570226,0.257133683,0.143298233,0.029462783,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,4.523603362,1.920049972,1.27191171,0.533857118,0.174230856,0,0,0,0.646229052,0.320008329,0.181701673,0.088976186,0.087115428,0,0,0,8.596909424,15.21267298,14.6,14.84,9.154697006,115.1647569,0.573127295,1.014178199,0.973333333,0.989333333,0.610313134,7.677650459,0.66169,26.56,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,2,1,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.46296296,3.436990741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.521597222,0,0,0,0,0.458680556,0,0.521597222,0,0,0,0,0,0,0,0,2.93337963,3.351342593,0,0,0,0,0,0,0,0.085648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18981481,4.273148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.273148148,-0.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.521597222,0,0,0,0,0.458680556,0,0.521597222,0,0,0,0,0,0,0,0,1.33037037,3.351342593,0,0,0,0,0,0,0,-0.347222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18981481,4.273148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18981481,3.351342593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.521597222,0,0,0,0,0.458680556,0,0.521597222,0,0,0,0,0,0,0,0,1.603009259,3.351342593,0,0,0,0,0,0,0,0.43287037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18981481,4.273148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.83333333,2.976190476,0.642361111,10.18981481,0.366319444,-0.347222222,2.320870556,2.013888889,3.189814815,8.628611111,2.013888889,3.189814815,8.628611111,3.16666,0.45238,0,0.04762,0.58889,0.91905,0.42174,0.5549,0.91905,0.16715,0.03399,-0.13316,0,0.49223,0.22206,0,0.57895,0.31579,0,6.75,0.96429,3.75,0.53571,3,0.42857,-0.75,-0.10714,0,0,3.37875,0.48268,7.55695,4.1782,0.59689,1.47524,0.21075,3.18073,1.70548,0.24364,0.23327,0.03332,0.23327,0.03332,0,6.02,2,2,2,2,0,0,0.4,1.399581231,2.739572262,3.139572262,3.139572262,2.879112889,2.09773477,20.99371846,41.09358393,47.09358393,47.09358393,43.18669333,31.46602155,0.358234047,0.701215505,0.803598715,0.803598715,0.736932048,0.536932048,2.507309365,1.167318334,0.767318334,0.767318334,1.027777707,1.809155826,0.349895308,0.684893065,0.784893065,0.784893065,0.719778222,0.524433692,13.02670534,24.88314042,25.28627043,25.28627043,22.16075796,10.70319461,25.92039149,15.92892941,15.5426157,15.5426157,13.97985946,8.249753254,7,3.06122449,2.666666667,7,5,3,1.79,0.8445,0.944940787,0,3.532775529,0,0,0,0,1,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.443,0.43,0.574,0.215,2.729,7,6,2,0,0,0,0,0,0,28,2.197224577,2.48490665,2.564949357,1.386294361,0,0,0,0,0,0,3.737669618,1.464285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,4,0.666666667,0,2,4,1,2,1.111111111,0.25,0,0,0,0,0,0,0,0.333333333,0.158730159,0.041666667,0,0,0,0,0,0,0,0.533730159,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,26.3,107.3439178,3.807354922,3.295836866,3.970291914,4.691347882,5.398162702,6.120297419,6.834108739,7.556427969,8.272059622,8.994296558,68.13282967,2.564949357,0,3.713572067,0,5.056245805,0,6.463029457,0,7.890956716,8.168486417,100.0524295,6.670161966,12.50524286,1.786463266,5.038666444,5.038666444,0,46,6,0.714,26,1.215214286,2.085479701,2.976728014,3.581419864,4.803243154,5.188988519,0,0,0,0,104.9942655,138.2869394,202.5720288,89.52851684,58.15328755,5.272344431,0,0,0,0,284.7468187,363.7592058,547.2763913,390.7441463,551.1078671,161.293193,0,0,0,0,9.598243261,16.66382548,23.56403124,29.6272024,34.18771718,34.86203256,0,0,0,0,1.917681021,2.494187944,3.805191451,2.952063009,5.348624084,2.307091259,0,0,0,0,178.2687189,338.7006297,451.0663384,625.5685793,735.4848291,959.5355734,0,0,0,0,4.793007937,8.461533464,14.93577905,13.77680819,10.9275969,5.188988519,0,0,0,0,0.455735893,0.616127226,0.963690378,0.792604528,1.152778357,0.531352424,0,0,0,0,318.6123748,223.1251316,15.74938009,138.8751504,-97.25465384,-21.15808287,179.7372243,320.3797854,36.90746296,0.696439481,0.487718504,0.034425813,0.303560519,-0.212584275,-0.046248437,145.7611868,102.0769643,7.205144919,63.53364889,-44.4927909,-9.679558972,0.411283542,0.45037252,4.889170219,8.144572249,390.6926839,66.7948413,0.853996366,0.146003634,560.2095474,23.66874621,8.243598572,638.1304606,25.26124424,8.609339325,936.1123054,30.59595243,9.782337704,1.438903629,1.418790927,329.1869922,241.9828293,93.94585992,1.36037335,3.504007441,2.575768953,3.505017759,3.393768459,6.189405725,0.82375604,2.407763293,1.692374737,4.49943835,4.455420681,5.702613262,5.515188419,3.72305972,4.024870603,1.803502863,1.528326839,1.115574785,1.29E-04,5.82E-29,5.06E-75,8.48E-143,2.74E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.218589204,1.791091021,0.788392202,3.14619432,1.482401158,2.451539506,0.315097425,1.202006941,0.041920194,0.1006944,0.007857084,9.10E-07,4.10E-31,3.56E-77,5.97E-145,1.93E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.658179174,1.514826958,0.946068715,2.961693664,1.65452425,2.26037252,0.610950708,1.513281898,0.207433538,0.343218797,0.081876878,9.49E-06,4.27E-30,3.71E-76,6.22E-144,2.01E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.277848148,1.858049929,5.153344978,4.629678534,6.555125863,5.604325327,4.311968353,4.157984657,1.627006891,1.42363402,0.993957049,1.15E-04,5.19E-29,4.51E-75,7.56E-143,2.44E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.962445609,1.407902168,1.081919317,2.99047297,1.747952993,2.395673669,0.694681355,1.704298032,0.378674651,0.524219404,0.177847519,2.06E-05,9.28E-30,8.07E-76,1.35E-143,4.37E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.907742552,1.814944044,6.287364335,4.987370742,7.60563853,6.898085767,5.421538285,5.221059578,2.534938498,1.93559347,1.62696098,1.89E-04,8.49E-29,7.38E-75,1.24E-142,4.00E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.326228808,1.755989045,3.935181854,6.212849658,5.549652079,4.759122167,3.895824068,3.136631405,0.535254924,0.631713622,0.261190766,3.03E-05,1.36E-29,1.18E-75,1.99E-143,6.42E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.059704418,1.390695165,0.22297842,0.715570938,0.245126477,0.611354683,0.504294482,0.266666667,5.673378003,6.861132792,13.79340488,0.573356407,1.382315831,2.411882709,0.928893408,0.033674937,0.714748168,0.27527245,0.215211836,0.224803594,0.006082143,3.374451054,2.352882376,5.802778152,0.572122252,0.446097573,3.157204261,1.055643642,0.105400588,0.731130751,0.244461069,0.368364575,0.29008951,0.059583928,4.318248491,3.776919251,8.446455528,0.596696126,0.718038013,3.886822827,1.368208018,0.207531023,0.711538454,0.250470027,0.560760164,0.488109849,0.230998479,5.462561869,6.408564088,12.97477224,0.567307681,1.279868492,3.540949287,1.141912547,0.14587628,0.733307378,0.236482601,0.463437227,0.339496923,0.114133313,4.828738114,4.726572882,10.14515508,0.599961067,0.917067462,4.145951548,1.436018944,0.236486967,0.712551665,0.246804063,0.638062111,0.537689267,0.299955955,5.818457459,7.273728235,14.50014986,0.568827497,1.475707332,3.930132613,1.384870172,0.21043116,0.711280354,0.250635549,0.573466189,0.500058595,0.237499753,5.525433945,6.561165629,13.23191818,0.566920531,1.311024537 +UMLYSI0330,L,2-ethylbutanal,CCC(CC)C=O,saturated aldehyde,C6H12O,97-96-1,7359,PubChem,,29,0,-0.8105,0.65691025,27.5361,19.363516,0,0,19,7,12,0,6,0,1,0,0,0,0,0,0,0,1133.745495,1058.76965,1155.667682,1212.712126,825.252547,187.693632,9.144576,0,0,3130.497121,3797.153407,4816.256692,4975.222992,3857.461945,1740.008882,279.7536999,0,0,139.21638,133.148048,239.07272,302.032264,287.668828,220.465152,60.466176,0,0,22.71195886,28.64637172,39.4193088,41.97126495,33.87503019,17.89290606,4.001516144,0,0,3165.229247,2624.785681,5208.046461,6898.854301,6519.271107,5358.358683,1664.258868,0,0,79.27777778,48,66.58333333,88,107,72,9,0,0,59.67081553,58.82053611,35.02023279,28.87409824,21.16032172,6.2564544,1.016064,0,0,164.7630063,210.9529671,145.9471725,118.4576903,98.90928064,58.00029606,31.08374443,0,0,7.327177895,7.397113778,7.244627879,7.191244381,7.376123795,7.3488384,6.718464,0,0,1.195366256,1.591465096,1.194524509,0.999315832,0.868590518,0.596430202,0.444612905,0,0,166.591013,145.8214267,157.8195897,164.2584357,167.1607976,178.6119561,184.917652,0,0,4.17251462,2.666666667,2.017676768,2.095238095,2.743589744,2.4,1,0,0,0.137904928,-0.031359424,-0.051556145,0.018009643,0.020066073,-0.02889171,0.004779099,0,0,605.7336044,-45.41908671,-118.1333037,72.35028575,-255.6552774,-119.6164083,163.6069882,0,0,916.6964704,-95.75164029,-204.7022235,-16.99612921,-447.2760907,61.23903624,245.1388123,0,0,1.062550737,-0.002447645,-0.046150648,0.097103213,-0.243260565,-0.434851479,0.098331756,0,0,4.063287563,-0.461433045,-0.881125483,-0.52644003,-2.042127258,0.935174049,0.944307985,0,0,22.47243353,-2.562605463,-4.73722168,-3.6186544,-11.26310036,6.052478645,4.892886488,0,0,33.99122807,0.844567559,-2.456986765,1.300092336,-5.376731302,-13.96860572,2.662049861,0,0,0.007258154,-0.00174219,-0.001562307,4.29E-04,5.15E-04,-9.63E-04,5.31E-04,0,0,31.88071602,-2.523282595,-3.579797081,1.722625851,-6.555263523,-3.987213612,18.17855424,0,0,48.24718265,-5.319535572,-6.203097683,-0.404669743,-11.46861771,2.041301208,27.23764581,0,0,0.055923723,-1.36E-04,-0.001398504,0.002311981,-0.00623745,-0.014495049,0.010925751,0,0,0.21385724,-0.025635169,-0.026700772,-0.012534286,-0.052362237,0.031172468,0.104923109,0,0,1.18275966,-0.14236697,-0.143552172,-0.086158438,-0.288797445,0.201749288,0.543654054,0,0,1.789012004,0.04692042,-0.074454144,0.030954579,-0.137864905,-0.465620191,0.295783318,0,0,-0.240032138,-0.215248587,0.059078522,0.070887818,-0.132686216,0.073160615,0,0,-0.079147614,-0.112287223,0.054033474,-0.205618453,-0.125066627,0.570205331,0,0,-0.11025588,-0.128569117,-0.008387427,-0.237705439,0.042309231,0.564543758,0,0,-0.002431532,-0.025007357,0.041341691,-0.111534963,-0.259193211,0.195368801,0,0,-0.119870476,-0.124853253,-0.058610531,-0.24484669,0.145762979,0.490622199,0,0,-0.12036847,-0.121370535,-0.072845263,-0.244172552,0.17057505,0.459648797,0,0,0.026227001,-0.041617465,0.017302611,-0.077062035,-0.260266667,0.165333333,0,0,0.977169243,0.847411942,0.696324106,1.258729688,1.570342976,0,0,0,1.212328523,1.089507921,0.861668225,1.18479988,1.027568815,0,0,0,1.492302918,1.240677162,0.982870445,1.121496921,0.60590875,0,0,0,0.521883785,0.610673555,0.64608545,1.430634019,1.950784963,0,0,0,1.578834284,1.267715663,1.03579565,1.118586966,0.453935234,0,0,0,1.583316226,1.261713068,1.044353641,1.124700379,0.437920299,0,0,0,0.501763441,0.618252199,0.662986175,1.408734491,1.959329032,0,0,0,26.11614594,13.18307297,18.41914095,26.29471737,3.756388196,13.1830788,0.25,4.18E-16,5.97E-17,-24.78803809,4000004.229,571429.1756,10.64126418,26.11794173,13.18360366,18.41967163,26.29598858,3.756569797,13.18360948,0.249265579,2.56E-16,3.66E-17,-25.13111357,4000004.229,571429.1756,10.64126418,27.71328302,13.65714427,18.89321225,27.42828696,3.918326709,13.65714752,-0.398994478,4.94E-16,7.06E-17,-24.67059835,4000004.229,571429.1756,10.64126418,26.11982646,13.18416063,18.42022861,26.29732274,3.756760392,13.18416644,0.2484948,2.35E-17,3.35E-18,-26.80316257,4000004.229,571429.1756,10.64126418,29.41329791,14.16550182,20.01897546,28.64023058,4.091461512,14.16550368,-1.082294264,0.001744194,2.49E-04,-4.44602387,44.73024889,6.390035556,2.660454987,26.30425096,13.23869257,18.47476055,26.42791823,3.775416891,13.23869799,0.173134186,5.70E-16,8.14E-17,-24.57081262,4000004.229,571429.1756,10.64126418,31.85999606,15.87976901,22.92324401,32.10971261,4.587101801,15.87976945,0.582671958,2.38E-16,3.40E-17,-25.18245685,4000004.079,571429.1541,10.64126416,0,11.98869867,16.0059247,-0.388755996,0.208991148,3.766613297,7.79100358,6,18,17,17,5,1,1,0,0,1,14.076484,3.550792821,2.902564078,2.878336907,2.053038515,1.598026915,1.039092647,0.478313188,0.083923071,1.882596593,1.563026335,1.260957879,0.850596596,0.769718516,0.337701756,0.083923071,0.083923071,3.538251986,2.950308951,2.770413783,2.053907682,1.695309721,1.09559371,0.411625785,0.270913902,1.839699157,1.473453684,1.250371452,0.789061308,0.630337185,0.192206319,0.270913902,0.270913902,3.668113355,3.155598408,3.032157583,2.388162873,2.090117344,1.585254738,1.05967428,0.943918427,1.663318063,1.195492746,0.94458618,0.378969176,0.162386152,0.35984708,0.943918427,0.943918427,3.547777652,2.985267979,2.757168095,2.07894963,1.765276817,1.16518814,0.424097945,0.399277246,1.814925357,1.415133181,1.248350511,0.73786818,0.536857124,0.094688911,0.399277246,0.399277246,3.711917612,3.252217518,3.072656509,2.502309037,2.26277616,1.774745803,1.208173581,1.207644823,1.618440507,1.104407163,0.892819153,0.268765369,0.004703131,0.550187853,1.207644823,1.207644823,4.806227535,3.397054875,3.076003138,2.421515393,1.849830724,1.612311023,1.120319071,0.580645161,1.779886808,1.311901715,0.90147371,0.42038376,0.404820866,0.083592197,0.580645161,0.580645161,0,0,1,0,0,2,2,1,0,0,0,0,0,0,0,0,0,0,0,0.204124145,0,0,0,0.166666667,0,0,0,0.612372436,0.612372436,0,0.401374715,0.30274943,0,5.698670613,3.346065215,2.090770275,1.732050808,0.866025404,0,0,0,0.814095802,0.557677536,0.348461713,0.288675135,0.288675135,0,0,0,4.977162391,2.799745737,1.712659,1.24120488,0.481125224,0,0,0,0.711023199,0.46662429,0.285443167,0.20686748,0.160375075,0,0,0,9.965765927,18.6576839,17.70196078,17.96,11.27156647,146.3240515,0.524513996,0.981983363,0.931682147,0.945263158,0.59324034,7.701265868,1.6215,30.136,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,36,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,5,1,0,1,0,0,0,0,0,0,0,0,2,0,2,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.96712963,1.027777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.550694444,0,0,1.544444444,0.401388889,0,0.550694444,0,0,0,0,0,0,0,0,4.060648148,0,1.972222222,0,1.027777778,0,0.305555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.96712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.96712963,1.027777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.550694444,0,0,0.265625,0.401388889,0,0.550694444,0,0,0,0,0,0,0,0,2.030324074,0,0.986111111,0,1.027777778,0,0.305555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.96712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.96712963,1.027777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.550694444,0,0,0.401388889,0.401388889,0,0.550694444,0,0,0,0,0,0,0,0,2.030324074,0,0.986111111,0,1.027777778,0,0.305555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.96712963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.33333333,2.476190476,0.604861111,9.96712963,0.265625,0.305555556,3.12245,1.027777778,2.96712963,6.055555556,1.027777778,2.96712963,6.055555556,3.33333,0.47619,0,0.02381,0.48772,0.80952,0.42174,0.48772,0.80952,0.06598,0,-0.06598,0,0.58823,0.12606,0,0.4,0.15,0,4.75,0.67857,3.25,0.46429,1.5,0.21429,-1.75,-0.25,0,0,5.26055,0.75151,7.12629,1.86574,0.26653,2.64101,0.37729,3.34606,0.70505,0.10072,0.06794,0.00971,0.06794,0.00971,0,6.01,1,1,1,1,0,0,0.833333333,1.167436723,2.034572366,2.800044618,2.800044618,2.576469486,1.787432115,22.18129774,38.65687495,53.20084775,53.20084775,48.95292024,33.96121018,0.27482501,0.47895647,0.659155461,0.659155461,0.606523882,0.420777452,3.08049079,2.213355148,1.447882895,1.447882895,1.671458027,2.460495399,0.27482501,0.47895647,0.659155461,0.659155461,0.606523882,0.420777452,10.29981851,17.83255323,18.60401533,18.60401533,15.92111374,8.910242262,25.71846446,17.92184219,18.16781614,18.16781614,16.82636534,11.15869414,7,4.166666667,2.666666667,7,1,5,2.01,0.9697,0.25,2.884499141,1,0,1.5,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.441,0.435,0.583,0.156,3.183,6,6,3,0,0,0,0,0,0,28,2.079441542,2.079441542,2.197224577,1.791759469,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,2,4,1,1.5,0.666666667,0.375,0,0,0,0,0,0,0,0.25,0.111111111,0.0625,0,0,0,0,0,0,0,0.423611111,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,17.07,118.4861345,3.807354922,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,66.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921535632,100.088815,5.267832369,12.6691974,1.809885343,2.398150843,2.398150843,0,48,6,2.018,24,1.231388889,2.133020964,2.891095502,3.567846699,4.343046333,5.71185753,0,0,0,0,82.79933054,83.93727154,91.94847844,79.98279401,27.33682363,5.803612809,0,0,0,0,284.2928587,335.592719,364.4948192,373.0614621,261.8125005,177.5459197,0,0,0,0,9.138860388,15.51703492,20.87675847,26.35537685,31.6184333,38.37490919,0,0,0,0,2.093824968,2.691413352,3.016411159,3.243880477,2.713225571,2.539565568,0,0,0,0,177.4504105,332.7197463,471.388082,591.3342701,769.2522156,1056.223283,0,0,0,0,3.328333333,4.442063433,6.272855115,9.819478724,9.800242384,5.71185753,0,0,0,0,0.447824583,0.587679069,0.679497037,0.767726945,0.666940411,0.584894211,0,0,0,0,336.5377134,176.7579611,11.40988155,164.4206348,-86.35779889,-17.85517129,172.1170786,263.11576,29.26505284,0.671787814,0.352839636,0.022776108,0.328212186,-0.172385188,-0.035642028,168.591377,88.54837624,5.715875415,82.3678896,-43.26166028,-8.944697115,0.233685096,0.576006406,2.160629858,20.11131438,466.0432601,34.91508807,0.930303411,0.069696589,443.1383103,21.05085058,7.623945197,559.3827433,23.65127361,8.239541045,733.0189488,27.07432268,9.016508584,1.778411297,1.778411297,357.8676353,274.4766808,121.8145691,1.303817994,2.93780652,2.253233606,3.789497658,3.220194404,6.42424645,0.994987148,3.360021677,4.786238416,3.740278042,13.2444172,6.633819684,3.963898257,4.838270045,9.034848314,2.663825039,4.292376929,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.298477101,4.786097856,0.234230068,5.610838304,0.979144414,1.174307089,1.512935662,0.353415963,1.010608106,0.067301419,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0.916142542,4.785989803,0.663133188,6.333538949,1.389115952,1.281867326,1.696670377,1.385664127,1.135946974,0.410275813,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.176697216,4.786281454,3.76195875,12.76411094,6.191317931,4.150773411,4.895396983,8.292616484,2.694276113,3.849955363,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.34265012,4.785961384,0.957068794,7.051755325,1.849293319,1.465375328,1.984616325,2.30101622,1.232563454,0.799953506,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.057735794,4.786374367,5.112739888,16.24428199,9.231909343,4.986849723,5.911930264,12.28197676,3.454820118,6.139116758,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.068370478,4.090588615,3.515944328,9.723294719,4.126302459,5.23691683,6.429026789,3.946131882,3.057398296,1.609735578,0.054807146,0.379869114,2.71E-15,3.72E-51,9.85E-109,5.04E-188,4.96E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.710467569,1.111676653,0.556363612,0.689869325,0.206688674,0.527951803,0.396260752,0.420795582,5.378507833,6.807705743,14.48112455,0.534803988,1.345008137,2.58506639,1.103950266,0.195491645,0.66548098,0.284193051,0.270843927,0.36150605,0.043032562,3.8845083,3.574956662,8.017356032,0.49822147,0.675382539,3.087344383,0.965808002,0.340205948,0.702729928,0.219833651,0.36631305,0.291102442,0.145109232,4.393358333,4.360688457,9.76846673,0.554094891,0.802524723,3.630805103,1.154978658,0.548885025,0.680605535,0.216504286,0.505745162,0.420400533,0.392369364,5.334668786,6.820347445,14.4567669,0.520908302,1.31851506,3.327290756,0.938266173,0.399778609,0.713194309,0.201114403,0.424515935,0.280917572,0.215382842,4.665335538,4.827162779,10.7405609,0.569791464,0.92081635,3.775324351,1.146304339,0.584674744,0.685636815,0.20818038,0.546582929,0.421045379,0.464007924,5.506303434,7.20522268,15.24180586,0.528455223,1.431636233,3.635838613,1.163811382,0.549317805,0.679727145,0.217576816,0.507200289,0.426184733,0.390824817,5.3489678,6.86796356,14.5413314,0.519590718,1.324209838 +UMLYSI0331,L,3-methyl-2-pentanone,CCC(C)C(=O)C,saturated alkanone,C6H12O,565-61-7,11262,PubChem,,29,0,-0.1958,0.03833764,28.9348,19.363516,0,0,19,7,12,0,6,0,1,0,0,0,0,0,0,0,1133.745495,1058.76965,1309.522631,1254.996718,671.397598,145.40904,9.144576,0,0,3130.497121,3797.153407,4869.666819,5034.761417,3804.051818,1680.470456,279.7536999,0,0,139.21638,133.148048,238.8371,290.134984,287.904448,232.362432,60.466176,0,0,22.71195886,28.64637172,38.88601801,40.90789148,34.40832099,18.95627953,4.001516144,0,0,3165.229247,2624.785681,5239.795721,6344.901219,6487.521847,5912.311765,1664.258868,0,0,79.80555556,47.22222222,72.83333333,106.6666667,102.5,57,9,0,0,59.67081553,58.82053611,39.68250397,32.17940303,17.21532303,4.406334545,1.016064,0,0,164.7630063,210.9529671,147.5656612,129.0964466,97.53979019,50.92334716,31.08374443,0,0,7.327177895,7.397113778,7.237487879,7.439358564,7.382165333,7.041285818,6.718464,0,0,1.195366256,1.591465096,1.178364182,1.048920294,0.882264641,0.574432713,0.444612905,0,0,166.591013,145.8214267,158.7816885,162.6897748,166.346714,179.1609626,184.917652,0,0,4.200292398,2.62345679,2.207070707,2.735042735,2.628205128,1.727272727,1,0,0,0.125756616,-0.047801628,8.06E-04,0.005491529,-0.017268989,-0.010518001,0.00641237,0,0,605.7336044,-45.41908671,93.72540758,-173.93368,-467.5139887,126.6675574,163.6069882,0,0,916.6964704,-95.75164029,10.66748546,-241.7341073,-662.6457997,285.9770143,245.1388123,0,0,1.062550737,-0.002447645,0.133494404,-0.268694881,-0.422905618,-0.069053385,0.098331756,0,0,4.063287563,-0.461433045,-0.420527699,-0.972597451,-2.502725041,1.38133147,0.944307985,0,0,22.47243353,-2.562605463,-3.059085009,-5.206246134,-12.94123703,7.640070379,4.892886488,0,0,34.00292398,-1.508618036,3.850184672,-6.593721145,-12.31301939,-3.184903047,2.748614958,0,0,0.006618769,-0.002655646,2.44E-05,1.41E-04,-4.43E-04,-3.19E-04,7.12E-04,0,0,31.88071602,-2.523282595,2.840163866,-4.459837948,-11.98753817,3.83841083,18.17855424,0,0,48.24718265,-5.319535572,0.323257135,-6.198310443,-16.99091794,8.66597013,27.23764581,0,0,0.055923723,-1.36E-04,0.004045285,-0.006889612,-0.010843734,-0.002092527,0.010925751,0,0,0.21385724,-0.025635169,-0.012743264,-0.024938396,-0.064172437,0.041858529,0.104923109,0,0,1.18275966,-0.14236697,-0.092699546,-0.133493491,-0.33182659,0.231517284,0.543654054,0,0,1.789627578,-0.083812113,0.116672263,-0.169069773,-0.315718446,-0.096512214,0.305401662,0,0,-0.40122958,0.003692034,0.021274113,-0.06689984,-0.048155071,0.107646225,0,0,-0.079147614,0.089087204,-0.139891398,-0.3760122,0.120399141,0.570205331,0,0,-0.11025588,0.006700021,-0.128469894,-0.35216394,0.179616086,0.564543758,0,0,-0.002431532,0.07233576,-0.123196596,-0.193902216,-0.037417516,0.195368801,0,0,-0.119870476,-0.059587712,-0.116612354,-0.300071379,0.195731177,0.490622199,0,0,-0.12036847,-0.07837564,-0.112866117,-0.280552848,0.195743304,0.459648797,0,0,-0.046832153,0.065193599,-0.094472043,-0.176415725,-0.053928658,0.170650959,0,0,1.134914074,0.750811576,1.297726157,1.299337397,0.741495133,0.004438518,0,0,1.212328523,0.88646729,1.18479988,1.356603491,0.630604078,0,0,0,1.492302918,1.092143786,1.121496921,1.247179008,0.476346706,0,0,0,0.521883785,0.520629855,1.430634019,1.506824842,0.904982154,0,0,0,1.578834284,1.181956255,1.118586966,1.191152619,0.408987354,0,0,0,1.583316226,1.196478905,1.124700379,1.179898517,0.398095366,0,0,0,0.573480093,0.519117567,1.406553246,1.500436574,0.914359868,0,0,0,24.92301184,12.58650592,18.60695904,25.10158327,3.585940466,12.58651618,0.25,0.127249147,0.01817845,-1.443125829,45.49152602,6.498789432,2.672268247,24.9247471,12.58700634,18.60762708,25.10279394,3.58611342,12.58701659,0.249265579,0.127220887,0.018174412,-1.443281308,45.47701362,6.496716232,2.672044902,26.47277597,13.03689074,19.23963115,26.18777991,3.741111416,13.03689655,-0.398994478,0.09851765,0.01407395,-1.622263693,35.69481913,5.099259876,2.502503889,24.92656831,12.58753156,18.6083283,25.1040646,3.586294943,12.5875418,0.2484948,0.127191218,0.018170174,-1.443444569,45.46179357,6.494541939,2.67181059,28.13353799,13.52562186,20.02343921,27.36047066,3.908638666,13.52562524,-1.082294264,0.057772474,0.008253211,-1.995869996,29.81071298,4.258673283,2.376407477,25.10487561,12.6390049,18.6774114,25.22854289,3.604077556,12.63901444,0.173134186,0.124245734,0.017749391,-1.459845763,44.02517934,6.289311334,2.64933321,30.40888586,15.25739391,23.28987075,30.66424301,4.380606144,15.2573947,0.595833333,0.181935931,0.025990847,-1.192870475,287.3114666,41.04449522,3.962396814,0,11.89,15.99491614,-0.299200245,0.193277502,4.272434045,7.803003606,6,18,17,17,5,1,1,0,0,1,14.076484,3.582044169,3.007627293,2.61778353,2.08092695,1.789083777,1.093431251,0.083923071,0.083923071,1.872641473,1.525395177,1.383983057,0.910157737,0.583932129,0.143143072,0.083923071,0.083923071,3.551144329,2.991539189,2.667283091,2.034526749,1.793020575,1.133131827,0.270913902,0.270913902,1.837736834,1.463773596,1.285124486,0.799219002,0.56378498,0.151638248,0.270913902,0.270913902,3.681873446,3.199137724,2.917294591,2.389241594,2.183925102,1.615318683,0.943918427,0.943918427,1.663252787,1.192124633,0.95864424,0.387313876,0.123605265,0.388404576,0.943918427,0.943918427,3.554696219,3.005942626,2.707148064,2.066210095,1.807608258,1.179887487,0.399277246,0.399277246,1.819049771,1.426106326,1.220147725,0.736970965,0.548610279,0.093981935,0.399277246,0.399277246,3.717829511,3.26908658,3.029234106,2.498525114,2.292281292,1.781437372,1.207644823,1.207644823,1.62426189,1.121092747,0.851834447,0.261548587,0.024698818,0.542652701,1.207644823,1.207644823,4.737225897,3.347434119,2.894961263,2.758489457,2.067397427,1.445706415,0.571428571,0.571428571,1.75802972,1.239398191,1.066197156,0.583364535,0.206849521,0.459767402,0.571428571,0.571428571,0,0,0,1,0,3,1,1,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.321975275,0,0.083333333,0,1.276142375,0.707106781,0.23570226,0.692766087,0.370790812,0.083333333,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,5.192705341,2.685504621,1.919946271,1.306356179,0.287457479,0,0,0,0.741815049,0.447584103,0.274278039,0.21772603,0.143728739,0,0,0,9.965765927,18.6576839,17.70196078,17.96,11.27156647,146.3240515,0.524513996,0.981983363,0.931682147,0.945263158,0.59324034,7.701265868,1.6215,30.136,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,2,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.37476852,0.293981481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.278819444,0.802777778,0,0,0,0,0,0,0,0,0,0,5.599768519,0,0.967592593,0,0,0,0.263888889,0,0,0.293981481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.37476852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.37476852,0.293981481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.265625,0.401388889,0,0,0,0,0,0,0,0,0,0,1.633101852,0,0.967592593,0,0,0,0.263888889,0,0,0.293981481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.37476852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.37476852,0.293981481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.019907407,0,0.967592593,0,0,0,0.263888889,0,0,0.293981481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.37476852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.5,2.5,0.515972222,10.37476852,0.265625,0.263888889,2.956181019,1.372685185,3.374768519,6.789351852,1.372685185,3.374768519,6.789351852,3.33333,0.47619,0,0.02381,0.48772,0.80952,0.42174,0.48772,0.80952,0.06598,0,-0.06598,0,0.58823,0.12606,0,0.55,0.3,0,4.75,0.67857,3.25,0.46429,1.5,0.21429,-1.75,-0.25,0,0,5.62999,0.80428,7.55695,1.92696,0.27528,2.46237,0.35177,3.18073,0.71836,0.10262,0.23327,0.03332,0.23327,0.03332,0,6.01,1,1,1,1,0,0,0.833333333,1.167436723,1.878477513,3.076103171,3.391892645,3.168317512,2.168753825,22.18129774,35.69107275,58.44596025,64.44596025,60.19803274,41.20632268,0.27482501,0.44221035,0.724142105,0.798481762,0.745850183,0.510543981,3.08049079,2.36945,1.171824342,0.856034869,1.079610001,2.079173688,0.27482501,0.44221035,0.724142105,0.798481762,0.745850183,0.510543981,10.29981851,18.83230798,21.19637615,21.51463669,18.8317351,9.294547827,25.71846446,16.28162645,15.15694072,14.52886861,13.18741781,10.35923399,7,3.06122449,2.666666667,7,1,5,2.01,0.9697,0.908560296,1.650963624,3.532775529,0,0,1.414213562,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.437,0.423,0.559,0.164,3.16,7,6,2,0,0,0,0,0,0,28,2.079441542,2.302585093,2.197224577,1.386294361,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,2,1.111111111,0.25,0,0,0,0,0,0,0,0.333333333,0.158730159,0.041666667,0,0,0,0,0,0,0,0.533730159,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,17.07,118.4861345,3.807354922,3.295836866,3.970291914,4.691347882,5.398162702,6.120297419,6.834108739,7.556427969,8.272059622,8.994296558,68.13282967,2.564949357,0,3.713572067,0,5.056245805,0,6.463029457,0,7.890956716,8.168486417,100.088815,5.267832369,12.50524286,1.786463266,2.348367779,2.348367779,0,46,6,1.3,26,1.230611111,2.12112132,2.92215093,3.580276876,4.202108386,5.820562243,0,0,0,0,82.68712511,95.46022201,102.382853,70.06010277,21.63190987,5.914063755,0,0,0,0,283.9634567,340.9005562,398.9432575,371.0256973,234.9481914,180.9248692,0,0,0,0,9.132995542,15.45638756,21.80515655,26.44685215,29.78936785,39.10523789,0,0,0,0,2.091655824,2.657596157,3.1911952,3.293720504,2.56868413,2.587897087,0,0,0,0,177.3517926,332.4762536,472.1319826,591.1842498,745.6766648,1076.324703,0,0,0,0,3.278333333,4.959747183,8.210969051,9.540457614,7.725943143,5.820562243,0,0,0,0,0.447387083,0.589402483,0.736066084,0.770413364,0.609774594,0.596025574,0,0,0,0,338.7616992,159.7590417,11.46760897,174.6466089,-82.36283774,-19.59400774,164.1150903,242.1218794,31.06161671,0.659829017,0.311173464,0.022336236,0.340170983,-0.160423656,-0.038164571,173.9230708,82.02161929,5.887565721,89.66501996,-42.28576517,-10.05972636,0.280644506,0.634398764,6.663547894,26.90169829,471.0032786,42.40502947,0.917404863,0.082595137,444.2955983,21.07832058,7.630576257,560.5400313,23.67572663,8.245219299,740.1547654,27.20578551,9.04567222,1.452219181,1.452219181,360.4925158,286.4375071,112.5830093,1.258538099,3.202015278,2.544233885,3.771322075,3.285516602,6.459304838,0.965993669,3.360021677,4.829714802,2.010338591,14.75087806,4.414024923,4.337483379,6.908952331,7.804900615,3.78601064,1.105747281,0.045295356,1.694936254,4.02E-13,1.84E-47,1.62E-103,2.77E-181,9.08E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,0.298477101,4.829555848,0.128452122,5.57923835,1.563029137,0.897028191,0.666270739,0.361614062,0.898663515,0.013053462,3.67E-04,0.011937575,2.83E-15,1.30E-49,1.14E-105,1.95E-183,6.40E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0.916142542,4.829449024,0.441184197,6.483128003,1.779915562,1.119182294,1.687135224,1.249868976,1.246789744,0.09468392,0.00344879,0.124398732,2.95E-14,1.35E-48,1.19E-104,2.03E-182,6.67E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,3.176697216,4.82975582,1.869872331,14.42164539,4.235584523,4.227046482,6.55005369,7.383061998,3.523940982,0.988826592,0.040390678,1.510157688,3.58E-13,1.64E-47,1.45E-103,2.46E-181,8.09E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,1.34265012,4.829422198,0.677065461,7.327287426,2.005443184,1.424948327,2.442208933,1.981829446,1.557388513,0.192708715,0.007372114,0.270210668,6.41E-14,2.93E-48,2.59E-104,4.41E-182,1.45E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,4.057735794,4.829859245,2.559103965,18.21696443,5.717303787,5.604560775,8.747587241,10.63832956,4.853378223,1.595453589,0.065901129,2.471905234,5.86E-13,2.68E-47,2.37E-103,4.03E-181,1.32E-280,0,0,0,0,0,0,0,0,0,0,0,0,0,2.084230024,4.174667654,0.93444723,12.04920228,3.653463064,4.426369868,4.508513581,4.562233034,2.406000401,0.383424766,0.014995919,0.553448573,1.31E-13,6.01E-48,5.30E-104,9.03E-182,2.97E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,3.707918402,1.164598814,0.549840876,0.683820275,0.214777186,0.504177016,0.445687867,0.514640894,5.422358092,6.997346507,14.79404802,0.525730413,1.464505777,2.753458163,1.022677923,0.194306853,0.693488914,0.257572754,0.298233043,0.323343989,0.055567763,3.970442939,3.549629996,8.067221774,0.540233371,0.677144794,3.141739509,0.978707926,0.334197758,0.70527267,0.219705023,0.362397954,0.311560406,0.186615227,4.454645193,4.451889655,9.934141274,0.557909005,0.860573588,3.64326762,1.197789355,0.541808545,0.676826796,0.222518907,0.486373789,0.468875846,0.497962274,5.38286552,6.986793206,14.73403925,0.515240193,1.453211908,3.346954422,0.97682161,0.393259172,0.709546204,0.207083807,0.410519537,0.313367123,0.262820503,4.717035205,4.969741992,10.97248985,0.564319306,0.986707163,3.769741447,1.201170765,0.578095357,0.679354173,0.216465873,0.521163553,0.473909108,0.569206426,5.549007568,7.401764486,15.5684475,0.519031259,1.564279088,3.650007967,1.203885337,0.54223969,0.676411788,0.223101495,0.488173683,0.473502948,0.498239169,5.396132994,7.02616467,14.80500247,0.514617682,1.4599158 +UMLYSI0332,L,methyl sec-butyl ether,CCC(C)OC,saturated ethers,C5H12O,6795-87-5,23238,PubChem,,28.6,0,-0.2876,0.08271376,25.4227,17.603516,0,0,18,6,12,0,5,0,1,0,0,0,0,0,0,0,989.481374,962.405397,1037.074005,874.16016,410.658361,97.028064,9.144576,0,0,2706.980219,3252.849106,3891.741073,3816.845562,2993.085205,1434.429565,279.7536999,0,0,131.675864,128.1009,233.170212,246.443592,237.575332,203.948928,60.466176,0,0,19.92305886,24.40791172,30.99311271,31.74669791,28.65881209,17.35197558,4.001516144,0,0,3038.434891,2524.540298,5114.453925,5484.335073,5504.442322,5356.758935,1664.258868,0,0,40.27777778,41.66666667,63.25,67,59,36,9,0,0,54.97118744,56.61208218,33.45400016,26.48970182,12.44419276,3.2342688,1.016064,0,0,150.3877899,191.344065,125.5400346,115.6619867,90.69955167,47.81431882,31.08374443,0,0,7.315325778,7.535347059,7.521619742,7.467987636,7.199252485,6.7982976,6.718464,0,0,1.106836603,1.435759513,0.999777829,0.962021149,0.868448851,0.578399186,0.444612905,0,0,168.8019384,148.5023705,164.9823847,166.1919719,166.8012825,178.5586312,184.917652,0,0,2.237654321,2.450980392,2.040322581,2.03030303,1.787878788,1.2,1,0,0,0.172860598,-0.036558654,-0.046849959,-0.008961371,-0.024141675,0.019131447,0.010949913,0,0,557.7912351,-22.23608849,-43.68471691,-178.3785909,-367.7534788,197.0228121,136.1344454,0,0,815.6252945,-167.3096657,-32.12203078,-125.46736,-514.5081397,234.8650325,196.7295164,0,0,1.059967111,0.044690617,-0.242639358,-0.385469926,-0.256512148,0.216718815,0.093228444,0,0,3.576219349,-1.136506899,-0.144694332,-0.116536829,-1.861847454,0.734384336,0.737091504,0,0,19.7674611,-6.839252288,-0.902576927,-0.015901093,-9.425981765,3.516238134,3.783743387,0,0,7.382716049,-0.716392318,-0.862825789,-1.118312757,-3.71090535,1.602880658,1.114197531,0,0,0.009603367,-0.002150509,-0.001511289,-2.72E-04,-7.32E-04,6.38E-04,0.001216657,0,0,30.98840195,-1.308005206,-1.409184417,-5.405411846,-11.14404481,6.567427072,15.12604949,0,0,45.31251636,-9.841745043,-1.036194541,-3.802041211,-15.59115575,7.828834417,21.85883516,0,0,0.058887062,0.00262886,-0.007827076,-0.011680907,-0.007773095,0.00722396,0.010358716,0,0,0.198678853,-0.066853347,-0.004667559,-0.003531419,-0.05641962,0.024479478,0.081899056,0,0,1.098192283,-0.402308958,-0.029115385,-4.82E-04,-0.285635811,0.117207938,0.420415932,0,0,0.410150892,-0.042140725,-0.02783309,-0.033888265,-0.112451677,0.053429355,0.123799726,0,0,-0.223932833,-0.157370751,-0.028277239,-0.076178067,0.066405349,0.126690677,0,0,-0.042209508,-0.045474575,-0.174433385,-0.359619861,0.211931776,0.488119701,0,0,-0.217197054,-0.022867733,-0.083907086,-0.344080554,0.172774214,0.482401705,0,0,0.044642401,-0.132916736,-0.198361177,-0.132000055,0.122674834,0.175908183,0,0,-0.336489496,-0.023492984,-0.017774509,-0.283973956,0.123211291,0.412218285,0,0,-0.366337448,-0.026512101,-4.39E-04,-0.260096356,0.106728065,0.382825429,0,0,-0.102744442,-0.067860611,-0.082623898,-0.274171481,0.130267559,0.301839465,0,0,1.223596671,1.680667688,1.468805634,0.871128058,0.083096069,0.043051596,0,0,1.330784981,1.171667754,1.252994452,1.261721933,0.368977141,0,0,0,1.698345018,1.043562317,1.06688554,1.287683413,0.469230915,0,0,0,0.912066035,1.667173335,1.645618012,0.920182467,0.038036275,0,0,0,1.899203893,1.047105404,1.003183391,1.236234191,0.478416204,0,0,0,1.940586148,1.064213734,0.998521211,1.211017842,0.470154034,0,0,0,1.170150502,1.372114036,1.366486774,1.168782305,0.230267559,0,0,0,19.06675105,9.658375527,14.30719344,19.23341772,3.20556962,9.65854501,0.25,0.105561564,0.017593594,-1.349076571,22.75122494,3.791870823,1.874771392,19.0737634,9.661514489,14.31173534,19.23994045,3.206656742,9.661683384,0.249265579,0.105254144,0.017542357,-1.350826463,22.78891411,3.798152352,1.875764517,25.43908925,12.52004739,19.03276006,25.17309293,4.195515489,12.52005537,-0.398994478,0.134049747,0.022341624,-1.205726582,21.10393422,3.51732237,1.829675687,19.08112355,9.664809176,14.31650454,19.24678675,3.207797792,9.664977456,0.2484948,0.104931385,0.017488564,-1.352669169,22.82871698,3.804786164,1.876811556,32.36745021,15.64257797,24.73569159,31.6459207,5.274320116,15.6425783,-1.082294264,0.261690845,0.043615141,-0.804354872,16.00588977,2.667648295,1.663774059,19.80385369,9.988493937,14.79479818,19.91927648,3.319879413,9.988611774,0.173134186,0.072939064,0.012156511,-1.570878558,28.44107047,4.740178411,2.008700546,21.39597676,10.86921854,16.74810461,21.62428364,3.604047274,10.86927135,0.342460317,0.211658662,0.035276444,-0.931668233,15.28587302,2.547645504,1.636157442,0,11.99640057,15.99794223,-0.408149353,0.063731575,4.485542404,6.855004319,5,17,17,17,5,0,0,0,0,0,15.034484,3.446956911,2.844579645,2.590330835,1.87329612,1.386528864,0.61883539,0.083923071,0.083923071,1.814881257,1.459749437,1.363633745,0.895597355,0.475021644,0.083923071,0.083923071,0.083923071,3.4143127,2.820527714,2.62833506,1.94117754,1.379665009,0.46790065,0.270913902,0.270913902,1.77985281,1.397414185,1.272174132,0.773003377,0.360105555,0.270913902,0.270913902,0.270913902,3.58549666,3.08553227,2.89794486,2.292575941,1.836976929,1.106651171,0.943918427,0.943918427,1.562569127,1.072177204,0.928013438,0.346350738,0.154187591,0.943918427,0.943918427,0.943918427,3.421207877,2.838905506,2.662901039,1.997551968,1.425712564,0.434284897,0.399277246,0.399277246,1.760065205,1.357269669,1.208716445,0.691478676,0.286408106,0.399277246,0.399277246,0.399277246,3.632308722,3.169261023,3.010640242,2.442139386,1.989599395,1.208391018,1.207644823,1.207644823,1.511979374,0.985345244,0.820855255,0.200979073,0.314429349,1.207644823,1.207644823,1.207644823,3.583982221,3.093236583,2.82406398,2.120774049,1.73496387,1.05598634,0.566037736,0.566037736,1.694640444,1.168121427,1.031098317,0.578527152,0.129298948,0.566037736,0.566037736,0.566037736,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.166666667,0,0,0,0.577350269,0.288675135,0,0.333333333,0.166666667,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.692705341,2.336655892,1.454567768,0.977283884,0.166666667,0,0,0,0.782117557,0.467331178,0.290913554,0.244320971,0.166666667,0,0,0,8.965765927,17.6576839,16.70196078,16.96,10.27156647,139.5813569,0.498098107,0.980982439,0.92788671,0.942222222,0.570642582,7.754519827,1.4313,26.762,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,29,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.899305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.334722222,0,0,0,0,0,0,0,0,0,0,0,5.891203704,0,1.107638889,0,0,0,0.435185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.899305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.899305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.730324074,0,1.107638889,0,0,0,0.435185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.899305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.899305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.105324074,0,1.107638889,0,0,0,0.435185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.899305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.33333333,2.055555556,0.45,4.899305556,0.215277778,0.435185185,3.263835648,0.898148148,1.399305556,3.12037037,0.898148148,1.399305556,3.12037037,2.83333,0.47222,0,0.02778,0.47593,0.82778,0.42,0.47593,0.82778,0.05593,0,-0.05593,0,0.57047,0.14382,0,0.52941,0.17647,0,3,0.5,3,0.5,0,0,-3,-0.5,0,0,4.65706,0.77618,5.73058,1.07351,0.17892,2.25646,0.37608,2.80805,0.55159,0.09193,0.10595,0.01766,0.10595,0.01766,0,5.01,1,1,1,1,0,0,1,1.134969975,1.66883889,2.932999307,3.26633264,3.03467014,1.996909028,20.42945954,30.03910002,52.79398752,58.79398752,54.62406252,35.94436251,0.272179949,0.40020837,0.703369798,0.783307287,0.727751731,0.47888368,3.034955027,2.501086112,1.236925695,0.903592361,1.135254862,2.173015973,0.27767102,0.408282339,0.71755987,0.799110051,0.742433695,0.488544876,10.25843817,16.66486515,19.16027043,19.49621211,16.71626211,5.8841316,21.93297423,14.92949168,14.20167153,13.61670903,12.22673403,8.808438198,6,3.2,3,6,0,4,1.9,0.8718,0.908560296,1.650963624,1.889881575,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.314,0.31,0.273,0.039,2.401,5,4,1,0,0,0,0,0,0,21,1.791759469,1.791759469,1.609437912,0.693147181,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,9.23,103.8266085,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,88.088815,4.893823056,10.6758508,1.779308466,2.635575129,2.635575129,0,31,4,1.261,20,1.219352941,2.076882353,2.843868379,3.455788446,3.950239249,5.479719658,0,0,0,0,79.98075655,78.09446864,83.3418023,49.20073426,15.37377263,5.567745874,0,0,0,0,253.901441,281.2743446,344.9750642,329.4124985,208.4704009,170.3302054,0,0,0,0,9.273571843,15.71543764,21.31111519,25.07481096,26.94839144,36.81529925,0,0,0,0,1.845323016,2.191463392,2.818142443,3.077811133,2.441486093,2.436354075,0,0,0,0,179.6707561,339.1364485,470.0862273,575.1493161,697.9025577,1013.296893,0,0,0,0,3.111176471,4.40420405,5.947284943,6.397252965,4.974497851,5.479719658,0,0,0,0,0.418907206,0.520119248,0.661349236,0.699449025,0.545442483,0.561123293,0,0,0,0,338.7503764,173.5610907,11.44323345,146.5088688,-75.06482898,-13.51008777,192.2415076,248.6259197,24.95332122,0.698081242,0.357666737,0.023581691,0.301918758,-0.154690157,-0.027840969,164.3817519,84.22212388,5.552934829,71.09478309,-36.42590225,-6.555894991,0.116420742,0.743462904,2.232928387,15.09633432,464.9538147,20.3054305,0.9581555,0.0418445,381.6045052,19.53470003,7.253336587,497.8489382,22.31252873,7.925606906,592.6298631,24.34399029,8.399649754,1.626582351,1.451957691,276.7606563,236.3779009,68.70816634,1.170839809,4.028060579,3.44031741,3.431200618,3.220194404,6.200953468,0.925645688,3.346806833,3.611130721,5.290650144,9.157419295,8.471249152,4.82681628,5.209944825,2.110460985,0.93715034,1.920109475,1.177019511,2.61E-04,3.74E-28,1.03E-73,5.48E-141,5.62E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.280874545,3.865067348,0.427260561,2.827367543,1.311599094,0.536575134,0.247434657,0.167650904,0.007640519,0.160547706,0.008289845,1.84E-06,2.63E-30,7.26E-76,3.86E-143,3.96E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.906696583,3.392606016,0.950210378,3.497575116,2.249135328,0.969283369,0.920886105,0.519867741,0.069752143,0.518658821,0.086386573,1.92E-05,2.74E-29,7.56E-75,4.02E-142,4.12E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.159112715,3.8642218,5.841522346,8.917641833,8.071508195,4.416103903,4.79202509,2.026793312,0.83509828,1.812017864,1.048703194,2.33E-04,3.33E-28,9.18E-74,4.88E-141,5.01E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336303829,3.213075115,1.191392438,4.101012626,2.991512156,1.398297933,1.482498106,0.761902157,0.150283186,0.764803519,0.18764318,4.17E-05,5.96E-29,1.64E-74,8.73E-142,8.96E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041753946,3.771514421,7.458332222,11.48621046,11.04842512,6.546335296,6.917281984,2.639863411,1.366265497,2.320747004,1.716572339,3.81E-04,5.45E-28,1.50E-73,7.99E-141,8.20E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.995693176,3.760573464,4.22395053,6.028559238,4.817445431,2.22106653,2.552148493,1.355353782,0.301268628,1.227926652,0.377115543,8.37E-05,1.20E-28,3.30E-74,1.76E-141,1.80E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.45275093,0.999727229,0.527772612,0.693288569,0.200738331,0.522800147,0.460016051,0.457297707,4.980250771,5.801705147,12.60372623,0.539932853,1.440113905,2.547249335,0.658253138,0.164577253,0.755842455,0.19532272,0.280899959,0.184892979,0.04463738,3.370079726,2.204287661,5.850319807,0.633763683,0.510430318,2.974283113,0.78489801,0.318616381,0.729384701,0.19248087,0.385973046,0.280288722,0.169659487,4.077797504,3.532245582,8.353855862,0.594077051,0.835921256,3.394313757,0.989554417,0.513385722,0.69310553,0.202063123,0.503729228,0.447574263,0.43593501,4.897253896,5.609473498,12.23111722,0.539658295,1.387238501,3.163571706,0.846980896,0.386955063,0.719401067,0.192604757,0.439100227,0.330447223,0.247669774,4.397507665,4.231388432,9.665736305,0.5791016,1.017217223,3.499475599,1.025819408,0.55146831,0.689312339,0.202061696,0.536894009,0.484084417,0.498883918,5.076763317,6.085386777,13.14182757,0.533968509,1.519862343,3.42717656,0.99164244,0.517173447,0.694323704,0.200900315,0.51427494,0.451082485,0.440466355,4.935992447,5.683829578,12.37745343,0.541485556,1.405823781 +UMLYSI0333,L,4-heptanone,CCCC(=O)CCC,saturated alkanone,C7H14O,123-19-3,31246,PubChem,,28.5,0,-0.6676,0.44568976,32.065,22.457102,0,0,22,8,14,0,7,0,1,0,0,0,0,0,0,0,1280.041744,1227.247947,1382.165159,1264.141294,1067.384565,562.917938,281.592025,84.835296,9.144576,3616.181511,4450.143542,5558.086517,5314.515117,4307.716772,3194.098172,2068.222976,1061.424631,279.7536999,160.193824,154.923828,281.542892,350.60116,287.71626,225.3026,186.21226,123.32736,60.466176,26.39008467,33.66236034,45.56728387,44.90940762,35.88787876,27.93293149,21.03814958,12.01662072,4.001516144,3661.858907,3057.825133,6158.531007,8009.160087,6530.204932,4987.751257,4616.702266,3137.747111,1664.258868,82.77777778,51.16666667,79.91666667,109.8333333,102.25,79,37,24,9,58.18371564,58.44037843,35.44013228,26.33627696,27.368835,18.76393127,10.42933426,4.713072,1.016064,164.3718869,211.9115972,142.5150389,110.7190649,110.4542762,106.4699391,76.60085098,58.96803508,31.08374443,7.281537455,7.377325143,7.219048513,7.304190833,7.37734,7.510086667,6.89675037,6.85152,6.718464,1.199549303,1.60296954,1.168391894,0.935612659,0.92020202,0.931097716,0.779190725,0.66759004,0.444612905,166.4481321,145.6107206,157.9110515,166.8575018,167.4411521,166.2583752,170.9889728,174.3192839,184.917652,3.762626263,2.436507937,2.049145299,2.288194444,2.621794872,2.633333333,1.37037037,1.333333333,1,0.131260663,-0.045776118,-0.011845346,-0.008021612,0.034946992,-0.041002774,0.002867428,-0.001574,0.004775099,687.3645011,-46.5210804,-72.60977875,-10.92626802,-13.31048475,-437.6237417,41.13191475,38.74769802,157.4294903,1066.90404,-96.33311012,-292.1129994,2.672876398,2.355159956,-427.8117277,17.86783888,17.55012244,242.3598194,1.085692364,-0.003217983,0.098766083,-0.163126612,-0.182120463,-0.558170314,0.099429554,0.080435702,0.085157851,4.734521863,-0.459492824,-1.753681784,-0.025053141,-0.02579097,-0.950592798,-0.052286738,-0.053024566,0.95266189,26.12162368,-2.544279046,-10.26560835,-0.280625194,-0.292495931,-3.687455532,-0.473882754,-0.485753491,4.969288461,34.27272727,-0.533057851,1.084710744,-7.064738292,-1.824380165,-15.22038567,2.983471074,1.32231405,2.115702479,0.005966394,-0.002179815,-3.04E-04,-1.67E-04,8.96E-04,-0.001366759,1.06E-04,-8.74E-05,5.31E-04,31.24384096,-2.215289543,-1.861789199,-0.227630584,-0.341294481,-14.58745806,1.52340425,2.15264989,17.49216559,48.49563818,-4.587290958,-7.490076907,0.055684925,0.060388717,-14.26039092,0.66177181,0.975006802,26.92886883,0.049349653,-1.53E-04,0.002532464,-0.003398471,-0.004669755,-0.018605677,0.003682576,0.00446865,0.009461983,0.215205539,-0.021880611,-0.0449662,-5.22E-04,-6.61E-04,-0.031686427,-0.001936546,-0.002945809,0.105851321,1.187346531,-0.121156145,-0.263220727,-0.005846358,-0.007499896,-0.122915184,-0.017551213,-0.026986305,0.552143162,1.55785124,-0.025383707,0.027813096,-0.147182048,-0.046778979,-0.507346189,0.110498929,0.073461892,0.235078053,-0.365348861,-0.050906265,-0.028009702,0.150187325,-0.229076257,0.017799872,-0.014656164,0.08892584,-0.07090324,-0.059588999,-0.007285615,-0.010923576,-0.466890677,0.048758546,0.068898376,0.559859641,-0.094591826,-0.154448466,0.001148246,0.00124524,-0.294055124,0.013646007,0.020105041,0.555284348,-0.003105134,0.051316747,-0.068865146,-0.094625903,-0.377017386,0.074622127,0.090550792,0.191733536,-0.101673083,-0.208945363,-0.002425311,-0.003072908,-0.147237969,-0.008998587,-0.013688352,0.491861508,-0.102039415,-0.22168821,-0.004923885,-0.006316518,-0.103520902,-0.014781879,-0.022728247,0.465022761,-0.016294051,0.017853499,-0.094477601,-0.030027885,-0.325670498,0.070930347,0.047155909,0.15089891,1.135298338,0.811035186,1.240879826,1.329451894,1.835450709,0.197242424,0.207135578,0,1.244484016,1.05569469,0.989714036,1.028430338,1.549624126,0.684952826,0.616457543,0,1.493214171,1.267214504,0.913415642,0.896962336,1.198199205,0.820594415,0.738534974,0,0.532603912,0.53828678,1.327215976,1.609972143,2.288567999,0.084949376,0.076454438,0,1.567567372,1.344764791,0.909999903,0.891076757,1.049708735,0.826666838,0.744000154,0,1.571413854,1.354213064,0.917184986,0.903457207,1.025536537,0.813893358,0.732504022,0,0.539787798,0.552506291,1.359499337,1.564561654,2.277320955,0.062407899,0.102122016,0,36.84000323,18.54500162,28.6428363,37.02750323,4.628437904,18.54500165,0.25,2.22E-16,2.78E-17,-28.83492271,3000010.71,375001.3387,11.93130113,36.84171659,18.54549108,28.64332576,37.02866577,4.628583221,18.54549111,0.249265579,7.77E-16,9.71E-17,-27.83271234,3000010.71,375001.3387,11.93130113,38.37612104,18.98856328,29.08639796,38.07687518,4.759609397,18.9885633,-0.398994478,8.88E-16,1.11E-16,-27.72588722,3000010.71,375001.3387,11.93130113,36.84351482,18.54600481,28.64383949,37.02988592,4.62873574,18.54600484,0.2484948,2.22E-16,2.78E-17,-28.83492271,3000010.71,375001.3387,11.93130113,40.03480741,19.47625657,29.57409125,39.22308671,4.902885839,19.47625658,-1.082294264,5.55E-16,6.94E-17,-28.10189013,3000010.71,375001.3387,11.93130113,37.01965254,18.59639336,28.69422804,37.14950318,4.643687898,18.59639339,0.173134186,2.22E-16,2.78E-17,-28.83492271,3000010.71,375001.3387,11.93130113,40.39291283,20.23617962,31.66210048,40.71830965,5.089788706,20.23617963,0.650793651,8.88E-16,1.11E-16,-27.72588722,3000010.564,375001.3204,11.93130109,0,11.89,15.99491639,-0.299193378,0.132675696,4.429620118,7.019142124,7,21,20,20,6,1,1,0,0,1,16.262898,3.57200437,3.158726067,2.844183096,2.18392002,1.967707112,1.33214981,1.332136534,0.083923071,1.868454358,1.708882991,1.355178962,1.091617933,0.72416625,0.62252576,0.184433356,0.083923071,3.537100223,3.197240258,2.810627379,2.253323613,1.883596426,1.442861713,1.346145858,0.270913902,1.834481137,1.631733601,1.303842226,0.975709625,0.636384852,0.473240653,0.27522086,0.270913902,3.675055697,3.364701014,3.039324004,2.546003084,2.259356832,1.884943921,1.822128391,0.943918427,1.653398192,1.397661851,1.015213949,0.601565151,0.201416978,0.035334264,0.236582257,0.943918427,3.539915846,3.225530555,2.820845547,2.303876515,1.890416069,1.522049418,1.374099801,0.399277246,1.816233812,1.581957035,1.273337723,0.899064477,0.597225586,0.37260324,0.260408886,0.399277246,3.711542677,3.444790866,3.106015981,2.679762813,2.349642212,2.074844725,1.961296806,1.207644823,1.613424864,1.322620074,0.945089062,0.474040332,0.095091115,0.220196471,0.357427907,1.207644823,4.899343648,3.342825957,3.285915969,2.615260779,2.401877879,1.730809977,1.627016104,0.6,1.712140618,1.509387149,1.03239507,0.769985066,0.335893732,0.235437737,0.492189059,0.6,0,0,0,1,0,2,4,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.102062073,0,0,0,0.40824829,0.552585858,0.288675135,0.144337567,0.195368604,0.102062073,6.405777394,3.808060412,2.682521985,1.562948829,1.129936127,0.288675135,0.144337567,0,0.800722174,0.54400863,0.383217426,0.260491471,0.225987225,0.144337567,0.144337567,0,5.736675415,3.325444489,2.038675135,1.057677536,0.682677536,0.25,0.125,0,0.717084427,0.475063498,0.291239305,0.176279589,0.136535507,0.125,0.125,0,11.50759373,21.54552076,20.42745098,20.72,13.07012096,169.3523066,0.523072442,0.979341853,0.928520499,0.941818182,0.594096407,7.697832118,2.1557,34.823,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,61,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,2,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.64305556,0.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.945833333,0.802777778,0,0,0,0,0,0,0,0,0,0,4.070555556,0,3.541018519,0,0,0,0,0,0,0.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.64305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.64305556,0.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.265625,0.401388889,0,0,0,0,0,0,0,0,0,0,2.035277778,0,0.771666667,0,0,0,0,0,0,0.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.64305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.64305556,0.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.035277778,0,0.998842593,0,0,0,0,0,0,0.412037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.64305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.66666667,2.333333333,0.465972222,10.64305556,0.265625,0.412037037,3.407153704,1.25462963,3.643055556,7.427222222,1.25462963,3.643055556,7.427222222,3.83333,0.47917,0,0.02083,0.4803,0.79583,0.42308,0.4803,0.79583,0.05723,0,-0.05723,0,0.60209,0.1122,0,0.34783,0.13043,0,5.25,0.65625,3.75,0.46875,1.5,0.1875,-2.25,-0.28125,0,0,6.52331,0.81541,8.49821,1.97491,0.24686,3.11989,0.38999,3.80805,0.68816,0.08602,0.10595,0.01324,0.10595,0.01324,0,7.01,1,1,1,1,0,0,0.857142857,1.143320102,1.763842123,2.754441846,2.754441846,2.572623664,2.006285863,25.15304225,38.8045267,60.59772061,60.59772061,56.59772061,44.13828899,0.256382472,0.395530703,0.617666573,0.617666573,0.576894969,0.449897214,3.316111517,2.695589496,1.704989773,1.704989773,1.886807955,2.453145756,0.256382472,0.395530703,0.617666573,0.617666573,0.576894969,0.449897214,9.968326343,17.41459059,18.41294179,18.41294179,16.23112361,13.43222453,29.50877429,19.9690069,20.80426451,20.80426451,23.98847895,23.4405345,8,5.142857143,5,8,1,7,2.12,1.1106,0.166666667,3.181082915,0.666666667,0,2.941682753,2.828427125,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,3.887,7,6,5,2,1,0,0,0,0,36,2.197224577,2.302585093,2.197224577,2.079441542,1.098612289,0.693147181,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.666666667,0.375,0.08,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.0625,0.016,0.027777778,0,0,0,0,0,0.415801587,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,17.07,135.7821191,4,3.36729583,4.007333185,4.709530201,5.370638028,6.084499413,6.751101469,7.467942332,8.135932772,8.853522561,69.74779579,2.708050201,0,3.761200116,0,4.990432587,0,6.304448802,0,7.656810091,7.96241568,114.1044651,5.186566594,14.6584741,1.832309262,2.451123717,2.451123717,0,75,6,1.829,28,1.233333333,2.127905567,2.879963448,3.626157149,4.998700783,5.91775836,7.149878224,8.248855885,0,0,82.62061363,84.68613563,85.30766813,120.2020426,105.8917791,72.77475524,36.43541789,8.381365506,0,0,286.274389,326.4421231,346.2299747,461.0646672,570.7372697,495.8431079,442.2617771,256.4053282,0,0,9.129617831,15.44937041,21.10811278,26.71489668,37.45207611,40.95389848,49.08605775,55.41964131,0,0,2.113145198,2.618596231,2.857514906,3.736626653,4.919534301,4.904078731,4.93829558,3.667547777,0,0,177.4424221,332.3311183,476.9848627,593.5825949,822.5762649,1001.109252,1238.513869,1525.359062,0,0,3.063896825,4.569429287,6.723641518,9.522286626,12.96143187,8.435909828,9.779994616,8.248855885,0,0,0.449709286,0.578472985,0.65518638,0.863249335,1.135092924,1.067368071,1.094051546,0.844682843,0,0,396.6680586,209.2560639,12.30183333,174.6310972,-92.12391884,-17.69022139,222.0369613,301.3799827,29.99205472,0.694326352,0.366281066,0.021533085,0.305673648,-0.161253378,-0.0309649,226.616127,119.5478126,7.028026999,99.76659844,-52.63031706,-10.10640854,0.251395463,0.567111721,4.506447523,17.97572681,539.6021795,31.69697636,0.944517726,0.055482274,506.3771674,22.50282577,7.970606549,641.9956726,25.33763352,8.626686854,834.4376527,28.8866345,9.414515271,2.369854061,2.369854061,714.7792402,662.9069966,71.93087291,1.078249655,9.937029974,9.215889781,4.225634109,4.434143809,8.849939625,0.995862111,3.917822784,5.778255412,2.144191084,13.73535324,6.281247875,0.096321537,2.418519278,4.848570807,9.69458112,0.056183925,2.986761539,4.629390488,4.337108891,1.411994453,3.955765266,0.160093208,0.210434626,8.89E-19,7.24E-58,1.14E-118,3.44E-201,2.01E-305,0,0,0,0,0,0,0,0,0.345289482,5.778031215,0.143569305,5.499030446,0.244988666,0.001013467,0.688941594,0.419490207,2.178745415,0.004546501,0.025288826,0.089209154,0.062783265,0.994833228,0.063979185,0.001128688,0.001482108,6.26E-21,5.10E-60,8.01E-121,2.43E-203,1.42E-307,0,0,0,0,0,0,0,0,1.067258616,5.777928829,0.487425109,5.801936037,0.728915259,0.007582383,0.942794963,1.081555985,3.16845992,0.014787768,0.223596299,0.47918478,0.40114145,1.079984726,0.383125962,0.011752859,0.015444711,6.52E-20,5.31E-59,8.34E-120,2.53E-202,1.48E-306,0,0,0,0,0,0,0,0,3.70321596,5.778289294,1.998892439,13.87055478,6.222405802,0.085928495,2.368613887,5.105316979,9.041906423,0.052916931,2.661764941,4.161551625,3.886482785,1.386456141,3.549385299,0.142640949,0.187493463,7.92E-19,6.45E-58,1.01E-118,3.07E-201,1.79E-305,0,0,0,0,0,0,0,0,1.565367409,5.777907687,0.742626849,6.245441598,1.137391006,0.015917679,1.151201142,1.452354936,4.009509667,0.021906865,0.480335047,0.906269592,0.792005852,1.13843856,0.743321703,0.025525981,0.033547976,1.42E-19,1.15E-58,1.81E-119,5.49E-202,3.21E-306,0,0,0,0,0,0,0,0,4.731361413,5.77842984,2.708082133,17.67954452,9.078174343,0.13997852,2.862002678,6.424638588,12.32998317,0.068400247,4.35323522,6.577195573,6.220118691,1.506551329,5.651303648,0.233477186,0.306899125,1.30E-18,1.06E-57,1.66E-118,5.02E-201,2.94E-305,0,0,0,0,0,0,0,0,2.465203933,5.371652532,1.140607339,14.92764788,5.919883301,0.035140263,2.2598575,6.202334706,5.433989438,0.030893517,1.078730141,1.915995087,1.636835464,1.705399891,1.593204377,0.057638883,0.075756465,3.20E-19,2.61E-58,4.09E-119,1.24E-201,7.25E-306,0,0,0,0,0,0,0,0,7.876774435,0.790237663,0.452338377,0.863742923,0.086655038,0.584213114,0.538919363,0.545435764,9.119350476,10.14494601,22.07988749,0.795614384,1.668568241,5.721961217,0.593458135,0.087846848,0.893600397,0.092680535,0.308293693,0.303939483,0.020571649,6.4032662,3.950534113,10.65210576,0.840400595,0.632804825,6.836039468,0.580924648,0.234278744,0.893454775,0.075925527,0.440031364,0.291237987,0.146312865,7.65124286,5.70886086,14.29047705,0.840182162,0.877582216,7.705115294,0.809033981,0.435977007,0.86089459,0.090393583,0.559027003,0.564861445,0.50669184,8.950126282,9.945673419,21.61354961,0.791341885,1.630580287,7.293399512,0.60192089,0.304005241,0.889512117,0.073411024,0.500880916,0.312670654,0.246364927,8.199325642,6.790268302,16.32419201,0.834268176,1.059916497,7.972386325,0.826092267,0.478484324,0.859374603,0.089047706,0.598482088,0.588932425,0.610312364,9.276962917,10.79586078,23.22408638,0.789061905,1.797726877,7.710452174,0.814514543,0.435662308,0.860481128,0.09089926,0.559801686,0.572540347,0.505960619,8.960629025,9.994282107,21.69099042,0.790721692,1.638302651 +UMLYSI0334,L,methyl isopentanoate,CC(C)CC(=O)OC,saturated esters,C6H12O2,556-24-1,11160,PubChem,,28.4,0,0.6189,0.38303721,30.8054,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1577.550344,1324.06257,1148.070349,536.576882,148.333248,18.289152,0,3346.887898,3979.09551,4987.888639,5050.196017,3959.364476,2476.646303,1470.09063,559.5073998,0,152.568096,145.6753,259.249424,286.708224,314.413588,197.51636,105.566976,120.932352,0,23.35516286,28.53615172,37.79289304,40.35158138,32.40595834,19.1168705,14.69637043,8.003032287,0,3350.680532,2804.677982,5521.432194,6122.942331,7233.707771,4197.796136,2392.223529,3328.517736,0,92.05555556,56.66666667,95.80555556,102.3333333,115.6666667,83,27,18,0,69.4856748,68.35965826,46.39853953,34.84375184,27.33500831,22.35737008,9.8888832,1.016064,0,167.3443949,209.4260795,146.702607,132.8998952,94.27058277,103.193596,98.00604198,31.08374443,0,7.6284048,7.667121053,7.624983059,7.544953263,7.48603781,8.229848333,7.0377984,6.718464,0,1.167758143,1.501902722,1.111555678,1.061883721,0.771570437,0.796536271,0.979758029,0.444612905,0,167.5340266,147.6146306,162.3950645,161.1300613,172.2311374,174.9081723,159.4815686,184.917652,0,4.602777778,2.98245614,2.817810458,2.692982456,2.753968254,3.458333333,1.8,1,0,0.268717594,-0.154590982,0.036176948,-0.021279355,0.07183684,-0.08012301,-0.008724662,0.022345423,0,715.056216,-13.739645,119.254472,-301.759254,203.073901,-490.904782,-288.1728,414.72,0,931.2646053,-148.2416011,102.7223183,-501.615986,178.4781018,-89.59160064,-535.1384911,527.7549561,0,1.9334688,0.00145024,0.64351424,-0.36918912,-0.20223248,-1.52509216,0.0667512,0.41806368,0,4.097118945,-1.072153629,0.499338656,-2.262517897,-0.043272528,1.352260844,-2.302404684,1.780189767,0,23.01673804,-6.548761719,3.087389767,-12.47752026,-1.846785805,9.757095425,-12.28674269,8.806956266,0,37.60555556,-1.055833333,10.72055556,-8.161666667,-1.538333333,-24.91,-1.4625,7.605,0,0.01343588,-0.008136367,0.001064028,-5.60E-04,0.001710401,-0.003338459,-5.82E-04,0.001241412,0,35.7528108,-0.723139211,3.507484471,-7.941033,4.835092881,-20.45436592,-19.21152,23.04,0,46.56323026,-7.80218953,3.021244656,-13.20042068,4.249478614,-3.73298336,-35.6758994,29.31971978,0,0.09667344,7.63E-05,0.018926889,-0.009715503,-0.004815059,-0.063545507,0.00445008,0.02322576,0,0.204855947,-0.056429138,0.014686431,-0.059539945,-0.001030298,0.056344202,-0.153493646,0.098899431,0,1.150836902,-0.344671669,0.090805581,-0.328355796,-0.043971091,0.406545643,-0.81911618,0.489275348,0,1.880277778,-0.055570175,0.315310458,-0.214780702,-0.036626984,-1.037916667,-0.0975,0.4225,0,-0.605570133,0.079193019,-0.041678182,0.127301003,-0.248473403,-0.043290363,0.09239532,0,-0.02022608,0.09810374,-0.222109334,0.13523672,-0.572105115,-0.537342927,0.644424857,0,-0.167561174,0.064884774,-0.283494522,0.091262539,-0.080170197,-0.766181796,0.629675382,0,7.90E-04,0.195781689,-0.100498163,-0.049807466,-0.657321253,0.046032085,0.240249649,0,-0.275457653,0.071691504,-0.290642988,-0.005029379,0.275043037,-0.749276004,0.482775496,0,-0.299496539,0.078903953,-0.285319141,-0.038207925,0.353260868,-0.711756964,0.425147427,0,-0.029554237,0.167693551,-0.114228176,-0.01947956,-0.552001773,-0.05185404,0.224700842,0,1.588842364,0.979388851,1.063580359,0.90934526,1.847342635,0.199605084,0.031884448,0,1.04922138,0.890865298,1.177513341,0.796821609,1.760918518,1.286754311,0,0,1.505949528,0.973881522,1.326068688,0.736290381,0.80839132,1.837252627,0,0,0.713221749,0.771811478,0.964469662,1.076039677,2.790223113,0.093221882,0,0,1.749688453,0.998761092,1.370590025,0.782604487,0.410127109,1.866878816,0,0,1.787392882,0.997733486,1.368751151,0.809506199,0.376151092,1.805144429,0,0,0.593145221,0.520104629,1.064041956,1.266786963,2.682357069,0.202097799,0,0,31.70210786,16.10105393,24.8993121,32.07710786,4.009638482,16.10105429,0.5,0.116158058,0.014519757,-1.722242754,33.21794385,4.152242981,2.802472166,31.71190523,16.10521819,24.90480093,32.0858036,4.01072545,16.10521856,0.498531158,0.115880576,0.014485072,-1.72415611,33.19627543,4.149534429,2.801950147,40.57662394,19.88931749,30.2468762,39.97813223,4.997266528,19.8893175,-0.797988956,0.119044617,0.014880577,-1.702605536,32.56871104,4.07108888,2.786681635,31.72218839,16.109589,24.91056289,32.09493059,4.011866324,16.10958936,0.4969896,0.115589362,0.01444867,-1.726169083,33.1736541,4.146706762,2.801404808,50.22071464,24.02806305,36.80640757,48.59727324,6.074659155,24.02806305,-2.164588529,0.3069714,0.038371425,-0.944800555,113.464793,14.18309913,3.785194076,32.73123641,16.53875239,25.48082802,32.99093769,4.123867211,16.53875262,0.346268372,0.087152856,0.010894107,-1.952073386,31.44843908,3.931054885,2.75867948,35.55564627,18.01926998,29.13607622,36.03573603,4.504467004,18.01927004,1.095833333,0.257057833,0.032132229,-1.086763351,30.39406217,3.799257772,2.731397813,0,11.99635523,15.99825889,-0.34958077,0.261466259,4.03611968,7.368569389,7,19,18,18,6,1,1,0,0,1,15.992484,3.563097488,3.15080698,2.623379122,2.333552793,1.98172872,1.092366403,1.006940296,0.083923071,1.853849457,1.468971068,1.249629723,1.246896354,0.50502629,0.343825613,0.083923071,0.083923071,3.507359405,3.038833606,2.595129605,2.405454588,1.915338443,1.118523863,0.634212847,0.270913902,1.81734459,1.485379325,1.18455023,1.134540686,0.59035225,0.218517558,0.270913902,0.270913902,3.658849505,3.291156804,2.869057881,2.704236987,2.278134093,1.599009627,1.255946586,0.943918427,1.629028631,1.177611427,0.859756175,0.76031856,0.174684553,0.325925563,0.943918427,0.943918427,3.510150369,3.010075137,2.616754977,2.457539916,1.908776061,1.199201956,0.465144214,0.399277246,1.803169356,1.492389137,1.144635628,1.058262671,0.596070204,0.116250366,0.399277246,0.399277246,3.691452808,3.322167596,2.955033375,2.838982085,2.356591811,1.798789954,1.209058028,1.207644823,1.587040103,1.143127753,0.768457691,0.631337262,0.105348124,0.520231538,1.207644823,1.207644823,4.749894798,3.40178485,3.231087009,2.612600818,2.436681674,1.810411557,1.287706153,0.571428571,1.742587493,1.135853988,0.959806682,0.898315104,0.089666171,0.153205437,0.571428571,0.571428571,0,0,1,0,0,2,1,1,0,0,0,0,0,0,0,0,0,0,0,0.696923425,0,0,0,0.467173856,0,0,0,0.691044062,0.902368927,0.666666667,0.297070401,0.268728739,0.185395406,6.568914101,3.66390246,3.142969116,1.570696873,0.971404521,0.333333333,0,0,0.821114263,0.523414637,0.39287114,0.261782812,0.194280904,0.166666667,0,0,5.600953631,2.7329988,2.174103609,0.802585858,0.416666667,0.166666667,0,0,0.700119204,0.3904284,0.271762951,0.13376431,0.083333333,0.083333333,0,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.2055,31.471,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,54,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.82208333,-0.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.492152778,0.5125,0,0,0,0,0,0,0,0,0,0,5.373564815,0,0.524305556,0,0,0,0.405046296,0,0,-0.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.4,4.422083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.422083333,-0.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305625,0.5125,0,0,0,0,0,0,0,0,0,0,1.407453704,0,0.524305556,0,0,0,0.405046296,0,0,-0.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.4,4.422083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,1.983055556,0,0.524305556,0,0,0,0.405046296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.4,4.422083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21,2.625,0.577083333,10.4,0.305625,-0.125,2.763864954,1.791666667,3.4,8.644166667,1.791666667,3.4,8.644166667,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.5,0.27273,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,5.98934,0.74867,8.9638,2.97446,0.37181,2.53876,0.31735,3.66389,1.12513,0.14064,0.25011,0.03126,0.25011,0.03126,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,2.070950594,3.10869497,3.10869497,3.10869497,2.67650216,25.90923688,41.41901189,62.17389939,62.17389939,62.17389939,53.5300432,0.299741647,0.479172848,0.719284287,0.719284287,0.719284287,0.619284287,3.026466251,2.2509775,1.213233125,1.213233125,1.213233125,1.645425935,0.299741647,0.479172848,0.719284287,0.719284287,0.719284287,0.619284287,12.01211119,21.71746765,22.76333241,22.76333241,22.76333241,17.5770187,29.38046565,17.93632218,17.86882451,17.86882451,17.86882451,15.27566766,8,3.9375,5,8,3,4,1.9,1.0284,0.814325285,1.310370697,2.941682753,0,0,2,0,0.5,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.426,0.519,0.065,3.13,8,6,5,2,0,0,0,0,0,36,2.197224577,2.397895273,2.197224577,2.079441542,1.098612289,0,0,0,0,0,3.784189634,1.194444444,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,5,0.666666667,2.5,0.666666667,0.5,0.16,0,0,0,0,0,0,0.357142857,0.083333333,0.083333333,0.032,0,0,0,0,0,0,0.555809524,18.39644118,27.75621318,36.79288235,4.599110294,18.39644121,0.00504672,6.31E-04,-4.231213432,29.16758065,3.645947581,2.698446273,26.3,127.2763612,4,3.433987204,4.077537444,4.828313737,5.493061443,6.248042875,6.918695219,7.673688129,8.34640487,9.100860271,71.12059119,2.708050201,0,3.850147602,0,5.141663557,0,6.49677499,0,7.884199934,8.176110342,116.0837296,5.804186481,14.49663423,1.812079278,5.087090413,5.087090413,0,71,6,1.571,30,1.230631579,2.106723894,2.897141407,3.517149825,4.51577367,5.669552928,6.109161957,0,0,0,94.58963281,108.8733257,107.7610691,107.8137427,111.4410422,57.17452954,6.207299534,0,0,0,279.0386343,334.00392,402.2569627,357.5777392,498.0323322,564.0148277,189.895629,0,0,0,9.500427541,16.18182254,21.8924016,26.36817169,36.93340409,39.94108303,41.04418468,0,0,0,1.953218228,2.479787924,3.17679244,2.866265336,3.828128723,5.621675932,2.716212244,0,0,0,180.0610686,338.2871735,464.2568862,600.1910151,782.5409496,901.0100265,1129.691885,0,0,0,3.763710526,6.276573176,7.839596426,9.639402067,14.96072789,10.30518449,6.109161957,0,0,0,0.448387105,0.585133177,0.74955561,0.728655767,1.006087567,1.218425123,0.625578184,0,0,0,355.3997375,265.473617,12.83904916,139.6335996,-104.3023752,-17.40869178,215.7661379,369.7759922,30.24774094,0.717930917,0.536274221,0.025935726,0.282069083,-0.210697679,-0.035166706,175.9347181,131.4182906,6.355757351,69.12328681,-51.63315285,-8.617882787,0.350001041,0.42698267,1.585016749,7.490548714,448.2990539,46.73428323,0.905593665,0.094406335,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,1008.886987,31.76298139,10.02953597,1.737225171,1.737225171,514.9638497,453.0151397,103.0316821,1.136747549,4.998111641,4.396852798,3.952552042,4.193003682,7.360795945,0.755494749,3.360032699,4.293013073,4.938477264,11.48246536,4.838261829,4.492951808,4.251768033,7.807911854,1.735740953,2.590795545,4.587047516,4.674780762,0.430195959,0.28803231,3.60E-18,8.68E-57,4.04E-117,3.62E-199,6.27E-303,0,0,0,0,0,0,0,0,0,0,0,0.298491782,4.443993404,0.461332233,5.077383856,0.479778256,1.263754987,0.867684869,0.492861257,0.735402603,0.229228725,1.205107953,0.098116491,0.003030144,0.002028635,2.54E-20,6.12E-59,2.84E-119,2.55E-201,4.41E-305,0,0,0,0,0,0,0,0,0,0,0,0.91615042,4.162909882,0.969106213,5.528371489,1.04135399,1.458457634,0.943340343,1.380376329,0.837340494,0.508110205,1.730405727,0.510592359,0.031574563,0.021139942,2.64E-19,6.37E-58,2.96E-118,2.66E-200,4.60E-304,0,0,0,0,0,0,0,0,0,0,0,3.176711882,4.443578521,5.644838834,11.91351973,4.704215898,4.807867461,4.238704339,7.790195451,1.98145816,2.894615885,4.321626092,4.210033797,0.383297019,0.256631603,3.21E-18,7.74E-57,3.60E-117,3.23E-199,5.58E-303,0,0,0,0,0,0,0,0,0,0,0,1.342655413,4.056106829,1.153311577,5.913373476,1.461191576,1.601230314,1.152790734,2.006155871,0.851779447,0.627968514,2.140006468,0.948653247,0.068583582,0.045918779,5.74E-19,1.38E-57,6.44E-118,5.78E-200,9.99E-304,0,0,0,0,0,0,0,0,0,0,0,4.057749124,4.388478536,6.937552351,14.18125671,6.45172799,5.975509046,5.77312705,10.66810371,2.220235656,3.607764433,5.636071397,6.605091393,0.627399597,0.420068054,5.25E-18,1.27E-56,5.89E-117,5.28E-199,9.14E-303,0,0,0,0,0,0,0,0,0,0,0,2.084251054,4.094648509,5.41400805,12.27828988,3.597371342,4.401553288,3.201399768,5.498178716,2.019764045,2.233864988,3.251380839,1.803345929,0.140473163,0.094051367,1.18E-18,2.84E-57,1.32E-117,1.18E-199,2.05E-303,0,0,0,0,0,0,0,0,0,0,0,5.195673638,1.137219262,0.498101566,0.760602818,0.166479312,0.506332661,0.453979915,0.425374064,6.830994467,9.063044016,18.83713143,0.640904226,1.38568664,3.865703573,0.711537833,0.181912269,0.81226702,0.149509321,0.280952,0.1847664,0.05007834,4.759153675,3.583250714,8.842771248,0.71840053,0.51579674,4.452217971,0.852939609,0.300110651,0.794291689,0.152167492,0.372013704,0.256407644,0.15415798,5.605268231,5.389607348,12.13453769,0.691437534,0.782579327,5.091005982,1.113080402,0.484849146,0.761108544,0.166406209,0.486213056,0.434993495,0.401984804,6.688935529,8.674744966,18.11117466,0.641662816,1.323191355,4.740594975,0.941372412,0.357101885,0.78498768,0.15588038,0.421585194,0.311993252,0.219528194,6.039069273,6.491706593,14.12440207,0.677481519,0.95310664,5.270922636,1.170991476,0.522747966,0.75680953,0.16813328,0.521099693,0.481094525,0.468165165,6.964662078,9.539702978,19.73087292,0.635214295,1.470359384,5.102095498,1.120805492,0.489313306,0.760121068,0.166979992,0.488252801,0.439743927,0.407483146,6.712214296,8.763404911,18.27373614,0.640181602,1.335479874 +UMLYSI0335,L,ethyl pentanoate,CCCCC(=O)OCC,saturated esters,C7H14O2,539-82-2,10882,PubChem,,28.4,0,-0.2283,0.05212089,32.5533,23.259102,0,0,23,9,14,0,7,0,2,0,0,0,0,0,0,0,1536.009745,1467.311804,1694.072836,1444.150819,1285.706154,941.19086,504.414626,275.495641,84.835296,3832.572288,4632.085644,5588.243923,5289.602429,4587.971069,3714.265063,2682.582579,1881.72051,1061.424631,173.54554,167.45108,302.095048,353.460388,276.381696,254.0432,203.151368,145.901476,123.32736,27.03328867,33.55214034,43.60337522,42.28533003,35.6290773,29.80851667,23.25443575,18.37047215,12.01662072,3847.310193,3237.717434,6434.654723,7952.443507,5944.410902,5543.212399,4591.973822,3507.196353,3137.747111,95.02777778,59.75,106.8333333,110,106.1666667,97.75,62,31,24,66.78303239,66.69599109,42.3518209,30.72661317,35.71405983,28.52093515,18.68202319,13.11884005,4.713072,166.6335777,210.5493475,139.7060981,112.5447325,127.4436408,112.5534868,99.35491033,89.60573856,58.96803508,7.545458261,7.611412727,7.5523762,7.520433787,7.677269333,7.698278788,7.524124741,6.947689333,6.85152,1.175360377,1.525097288,1.090084381,0.899687873,0.989696592,0.903288384,0.861275398,0.874784388,0.66759004,167.2743562,147.1689743,160.8663681,169.2009257,165.1225251,167.9761333,170.0731045,167.0093502,174.3192839,4.131642512,2.715909091,2.670833333,2.340425532,2.949074074,2.962121212,2.296296296,1.476190476,1.333333333,0.269322347,-0.162306951,0.059386779,-0.027200259,0.007221562,0.014946092,-0.038680355,0.002696047,0.004037587,799.1117029,-15.00476101,-5.477842469,70.39667648,-167.8206265,-262.817892,-257.3988454,-38.68299723,82.45501497,1081.795272,-149.5950004,-291.6044176,242.2551354,-169.5918068,-215.820653,-113.2879929,-136.5856612,34.68405272,1.975925913,0.013204083,0.789045369,-0.496598518,-0.564222473,-0.702433527,-0.59507442,0.173453384,0.220229807,4.769103567,-1.066326256,-1.688620916,1.094951114,-0.656447687,-0.509644269,0.334936456,-0.699402689,-0.098860783,26.67799994,-6.490143964,-9.469081274,5.719031126,-3.645541272,-2.279217333,3.046215873,-3.86813504,-0.88779851,38.15700483,-0.641724428,11.27767276,-6.510449485,-10.0247322,-11.70715186,-9.615469439,2.729836169,2.464083176,0.011709667,-0.007377589,0.001484669,-5.79E-04,2.01E-04,4.53E-04,-0.001432606,1.28E-04,2.24E-04,34.74398708,-0.682034591,-0.136946062,1.497801627,-4.661684069,-7.964178546,-9.533290569,-1.842047487,4.580834165,47.03457702,-6.799772747,-7.290110439,5.154364582,-4.710883523,-6.540019787,-4.195851588,-6.504079106,1.926891818,0.085909822,6.00E-04,0.019726134,-0.010565926,-0.015672846,-0.021285864,-0.022039793,0.008259685,0.012234989,0.207352329,-0.048469375,-0.042215523,0.023296832,-0.018234658,-0.015443766,0.012405054,-0.03330489,-0.005492266,1.159913041,-0.295006544,-0.236727032,0.121681513,-0.101265035,-0.069067192,0.11282281,-0.184196907,-0.049322139,1.65900021,-0.029169292,0.281941819,-0.138520202,-0.278464783,-0.354762178,-0.356128498,0.129992199,0.13689351,-0.630042557,0.126790066,-0.049423174,0.017131054,0.038678458,-0.122343848,0.010963861,0.019156001,-0.019630291,-0.003941576,0.043109665,-0.134172398,-0.229224658,-0.274386775,-0.053017735,0.13184538,-0.144569659,-0.154994706,0.109586711,-0.10015788,-0.139047063,-0.08920781,-0.13828293,0.040967559,0.006986228,0.229614422,-0.122988567,-0.182433697,-0.247769858,-0.256545675,0.096143662,0.142416652,-0.233753706,-0.203593194,0.112353849,-0.087940454,-0.074480792,0.059825969,-0.160619802,-0.026487601,-0.254335052,-0.204090327,0.104905721,-0.087303989,-0.059545146,0.097268335,-0.158802341,-0.042522273,-0.017582452,0.169946825,-0.083496193,-0.167850963,-0.213840948,-0.214664528,0.078355746,0.082515668,1.625274093,0.925847425,1.265857403,1.362160718,1.214854105,1.004475377,0.127554017,0.099189177,1.090358552,1.004347089,0.935653079,1.181909146,1.275462472,1.242941249,0.79357527,0.555502689,1.504503624,1.213276632,0.781904847,1.060838101,1.033638933,0.951612011,1.090075787,0.763053051,0.709899086,0.724184541,1.264612493,1.480280422,1.658029102,1.439280009,0.062870104,0.044009072,1.714180848,1.293107351,0.759272432,1.054582498,0.958384579,0.78314699,1.105395633,0.773776943,1.747015013,1.298987705,0.769814817,1.067646705,0.958637749,0.751416384,1.073401656,0.751381159,0.580933089,0.504094132,1.065214375,1.77840993,1.966291068,1.398704395,0.075502582,0.096094195,43.915391,22.2076955,34.58937682,44.30427989,4.922697765,22.2076955,0.5,0.155990662,0.017332296,-1.672163217,40.47421343,4.497134826,3.330598559,43.92840058,22.21346587,34.59752112,44.31614704,4.924016338,22.21346587,0.498531158,0.155688561,0.017298729,-1.673907902,40.46350088,4.495944542,3.330360319,55.56708933,27.38455019,42.46271359,54.94643126,6.105159029,27.38455019,-0.797988956,0.077290462,0.008587829,-2.304166247,84.73659352,9.415177057,3.995592791,43.94205474,22.21952217,34.60607061,44.32860221,4.925400245,22.21952217,0.4969896,0.15537156,0.017263507,-1.675742281,40.45236913,4.494707681,3.33011269,68.06409737,32.94975442,51.82163535,66.38052852,7.37561428,32.94975442,-2.164588529,0.230655408,0.025628379,-1.320147381,42.88528747,4.765031941,3.382675936,45.27958447,22.81292642,35.45189551,45.54890432,5.060989369,22.81292642,0.346268372,0.124678684,0.013853187,-1.873813844,39.85207986,4.428008874,3.316657137,43.53547793,22.0376484,35.39753931,44.18760465,4.90973385,22.0376484,1.174603175,0.311845361,0.034649485,-1.048723068,47.80191581,5.311323979,3.480359147,0,11.89,15.99591816,-0.315932313,0.261472972,4.114713536,6.937952549,8,22,21,21,7,1,1,0,0,1,18.178898,3.551727167,3.218707214,2.947607464,2.438331599,1.917007813,1.712553779,1.224052411,0.972441591,1.842631005,1.655005947,1.453338361,1.008609653,0.849206019,0.615085261,0.390956422,0.083923071,3.479014269,3.180929351,2.938281646,2.39839019,1.89741764,1.708210687,1.32072076,0.604413255,1.806258456,1.619799778,1.401383818,0.991905341,0.740009164,0.54039777,0.37254185,0.270913902,3.645814827,3.390558072,3.144327832,2.692408454,2.276738622,2.105404131,1.792146357,1.22689342,1.606236182,1.354282455,1.134032786,0.631776317,0.293823064,0.082538246,0.153233461,0.943918427,3.479350097,3.181448025,2.952978933,2.399323298,1.938111886,1.7375669,1.39454305,0.459593576,1.794793477,1.596659703,1.368577203,0.973888472,0.668349302,0.495397548,0.289107546,0.399277246,3.676199924,3.446444985,3.212867079,2.767900094,2.411243988,2.230253269,1.980555878,1.208936353,1.562985186,1.297494952,1.066201947,0.560365556,0.154534652,0.039860255,0.331961552,1.207644823,4.914899568,3.426313499,3.370418863,2.83982778,2.549429284,2.063323241,1.618712428,1.511549016,1.698586354,1.38846528,1.182339572,0.64146306,0.474607549,0.211688734,0.20267687,0.6,0,0,1,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.40824829,0.49279928,0.390737207,0.083333333,0.100592232,0.079758898,7.112884175,4.308060412,3.036075375,1.83195123,1.189722705,0.594861352,0.204124145,0.102062073,0.790320464,0.538507552,0.379509422,0.261707319,0.198287117,0.148715338,0.102062073,0.102062073,6.144923706,3.464690378,1.90857456,1.039779436,0.554270684,0.267537387,0.102062073,0.051031036,0.682769301,0.433086297,0.23857182,0.148539919,0.092378447,0.066884347,0.051031036,0.051031036,12.22239284,22.87618354,21.77647059,22.12,13.55036048,177.5068275,0.531408384,0.994616676,0.946803069,0.96173913,0.589146108,7.717688154,1.7397,36.158,25.02074591,38.31124324,50.04149182,5.560165758,25.02074591,0.045146306,0.005016256,-2.788062138,41.34668254,4.594075837,3.34979297,83,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,1,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.28472222,-0.070046296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.391666667,0.5125,0,0,0,0,0,0,0,0,0,0,3.878047052,0,3.073943689,0,0,0,0,0,0,-0.070046296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.57972222,4.705,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.705,-0.070046296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2725,0.5125,0,0,0,0,0,0,0,0,0,0,1.823259637,0,0.5025274,0,0,0,0,0,0,-0.070046296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.57972222,4.705,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.57972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,2.054787415,0,1.054379252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.57972222,4.705,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.16666667,2.462962963,0.555902778,10.57972222,0.237777778,-0.070046296,3.166833712,1.736712963,3.579722222,9.679019274,1.736712963,3.579722222,9.679019274,4.16666,0.46296,0,0.03704,0.52319,0.87037,0.42414,0.52319,0.87037,0.09905,0,-0.09905,0,0.53191,0.18238,0,0.32,0.12,0,6.25,0.69444,4.75,0.52778,1.5,0.16667,-3.25,-0.36111,0,0,6.99625,0.77736,9.95878,2.96253,0.32917,3.22862,0.35874,4.30805,1.07943,0.11994,0.10595,0.01177,0.10595,0.01177,0,8.02,2,2,2,2,0,0,0.857142857,1.264672679,2.032128525,3.327484782,3.762267391,3.762267391,3.555533151,29.08747163,46.73895608,76.53214998,86.53214998,86.53214998,81.77726248,0.279574524,0.449231943,0.735589523,0.831704623,0.831704623,0.786002974,3.258889277,2.491433431,1.196077174,0.761294565,0.761294565,0.968028805,0.279574524,0.449231943,0.735589523,0.831704623,0.831704623,0.786002974,11.60803893,21.16489296,24.38206803,24.82025282,24.82025282,22.33944195,32.94327953,20.14385474,17.4226809,16.15819021,16.15819021,19.51733175,9,6.125,5.87755102,9,3,5,2.01,1.1693,0.142857143,2.809664852,0.577350269,0,2.701599969,2.149139864,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,3.857,8,7,6,4,2,1,0,0,0,45,2.302585093,2.397895273,2.302585093,2.197224577,1.791759469,1.098612289,0.693147181,0,0,0,3.988984047,1.177777778,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.625,7,0.875,0,4,7,0.75,1.5,0.666666667,0.375,0.16,0.055555556,0.040816327,0,0,0,0,0.1875,0.083333333,0.053571429,0.026666667,0.013888889,0.020408163,0,0,0,0,0.385368481,25.02074591,38.31124324,50.04149182,5.560165758,25.02074591,0.045146306,0.005016256,-2.788062138,41.34668254,4.594075837,3.34979297,26.3,144.5723458,4.169925001,3.496507561,4.143134726,4.844187086,5.517452896,6.228511004,6.910750788,7.624130586,8.309676896,9.023408203,73.09775975,2.833213344,0,3.891820298,0,5.117993812,0,6.424869024,0,7.773594467,8.08085642,130.0993797,5.656494769,16.65502353,1.85055817,5.287016006,5.287016006,0,108,7,2.055,32,1.233227273,2.115679295,2.84553389,3.670334379,4.858672117,5.766022741,7.023886065,7.965956493,9.145888309,0,92.90307534,98.68604193,98.87406753,155.1453653,156.1219934,124.6030466,103.6598088,40.57188901,9.292807858,0,281.9160909,314.8286575,348.0258489,526.3499538,586.7235778,627.7540547,670.3473981,492.5733795,284.2884548,0,9.447098999,16.09302128,21.46806266,28.20657478,37.52026048,43.60356065,48.92520442,54.68787996,61.44632135,0,1.992608666,2.409060425,2.715651731,3.989904993,4.612000694,5.314923899,6.419041604,5.500606237,4.066379968,0,179.7781318,337.2835168,477.9898976,594.03602,809.4540437,969.6721771,1163.554571,1379.940018,1691.236192,0,3.442492424,5.939856312,6.787797073,10.82868164,14.58802437,13.427158,10.67719809,10.89426748,9.145888309,0,0.450467386,0.571382644,0.654854235,0.964667507,1.142344432,1.254293481,1.388389429,1.218649536,0.936538963,0,385.8124161,303.9318913,12.69560217,183.0500256,-144.2015295,-19.83030752,202.7623905,448.1334208,32.52590969,0.678217417,0.534280116,0.022317526,0.321782583,-0.253491036,-0.034859583,219.474193,172.8954378,7.222051247,104.1302845,-82.03083414,-11.28071716,0.331873408,0.400995471,1.878654803,4.042643097,521.7649363,47.09750533,0.917207567,0.082792433,648.0661598,25.45714359,8.653791915,783.6846649,27.99436845,9.219636166,1090.326662,33.02009483,10.29245264,2.472168204,2.472168204,969.8872798,907.9138921,82.03201709,1.068259103,11.82327723,11.06779919,4.485117634,5.328778951,9.75576134,0.83076863,3.917833806,5.241545688,3.536418791,16.17373661,7.394823472,1.753231188,4.841623031,9.280927705,5.275091936,1.506613859,3.942891183,2.446883017,2.534043474,0.007413297,4.086244232,0.580060497,3.809792817,1.010348694,0.005132849,1.76E-24,1.17E-67,1.49E-132,3.66E-219,0,0,0,0,0,0,0,0.345304163,5.392468715,0.308604021,4.39284656,0.211471803,1.674947054,0.677623029,0.644424172,2.161170323,0.068398153,2.822834091,0.084691755,0.293995114,5.70E-04,0.039575786,0.565087809,0.274564956,0.007115969,3.62E-05,1.24E-26,8.21E-70,1.05E-134,2.58E-221,0,0,0,0,0,0,0,1.067266495,5.111389101,0.74243355,5.129892892,0.727882959,1.528391474,1.145655424,1.54943316,1.813291835,0.253986024,2.584783038,0.346468157,0.539016019,0.001814303,0.327644283,0.567876807,0.91608936,0.074153879,3.77E-04,1.29E-25,8.56E-69,1.09E-133,2.69E-220,0,0,0,0,0,0,0,3.703230625,5.392104873,3.818564311,16.48698124,7.139858797,1.831356995,4.85530008,9.31776059,5.61733854,1.392106746,4.365230767,2.239235666,2.321898945,0.006940338,3.648203745,0.579049337,3.565035168,0.900202496,0.004573276,1.57E-24,1.04E-67,1.33E-132,3.26E-219,0,0,0,0,0,0,0,1.565372702,5.004591042,0.96530386,5.842878071,1.232368312,1.483280415,1.511662241,2.205151769,1.798156921,0.41047196,2.491580112,0.587823681,0.770211108,0.002713681,0.685120629,0.569870718,1.380256419,0.161072133,8.18E-04,2.81E-25,1.86E-68,2.37E-133,5.84E-220,0,0,0,0,0,0,0,4.731374743,5.337037471,4.796990304,21.52072103,10.78285758,1.866718175,6.371267082,12.93021794,7.100151637,2.020447298,4.664473433,3.363373148,3.40502559,0.0092258,5.924189555,0.583911715,4.748190822,1.473498614,0.007485778,2.57E-24,1.70E-67,2.17E-132,5.34E-219,0,0,0,0,0,0,0,2.465227058,5.354506024,3.035111082,16.50351793,4.929390565,1.921588923,4.040298122,9.263211414,8.149063802,0.778649183,4.812187391,1.067114472,1.211057943,0.004860237,1.497172095,0.822931933,2.531562245,0.363725532,0.001847826,6.34E-25,4.20E-68,5.36E-133,1.32E-219,0,0,0,0,0,0,0,9.661973819,0.796373536,0.432671491,0.887150592,0.073122042,0.581968234,0.513282292,0.521721165,10.89101885,12.219569,26.43979606,0.830725888,1.61697169,6.98076038,0.572530982,0.077051133,0.914868551,0.075033458,0.304621028,0.263732524,0.016545502,7.630342496,4.578691256,12.51698414,0.872302826,0.584899054,8.436571263,0.587797048,0.220577479,0.912560382,0.063580367,0.444130039,0.27946084,0.135595174,9.244945791,6.949564099,17.28835178,0.868840573,0.859186053,9.38259563,0.805477968,0.410617078,0.885259879,0.075997875,0.548888926,0.525114723,0.469889685,10.59869068,11.74087107,25.44278967,0.827889819,1.543893334,9.063352513,0.617432291,0.293230964,0.908696429,0.061904082,0.512313871,0.308528702,0.239630201,9.974015768,8.434712372,20.04965052,0.863044644,1.060472774,9.75171865,0.829487224,0.456503139,0.883491188,0.075150307,0.592793229,0.556831819,0.58077703,11.03770901,12.91927973,27.64960888,0.825236782,1.730402077,9.437730893,0.817390088,0.413962653,0.884586832,0.076612961,0.555395755,0.540762005,0.477577895,10.66908363,11.95954477,25.82206368,0.826880248,1.573735656 +UMLYSI0336,L,dipropyl ether,CCCOCCC,saturated ethers,C6H14O,111-43-3,8114,PubChem,,28,0,-0.6043,0.36517849,28.6641,20.697102,0,0,21,7,14,0,6,0,1,0,0,0,0,0,0,0,1135.777623,1130.883694,1109.716533,927.1847,642.668043,466.155986,281.592025,84.835296,9.144576,3192.664609,3905.83924,4580.160771,4008.534848,3177.865331,2702.016388,2068.222976,1061.424631,279.7536999,152.653308,149.87668,275.876004,307.0496,243.885036,168.475592,186.21226,123.32736,60.466176,23.60118467,29.42390034,37.67437857,34.87743038,27.59746887,24.72432358,21.03814958,12.01662072,4.001516144,3535.064551,2957.579749,6033.189211,7143.081184,5675.151543,3876.645596,4616.702266,3137.747111,1664.258868,43.25,45,71.75,75.5,57.25,37,37,24,9,54.08464871,56.5441847,29.99233873,22.07582619,19.47478918,19.42316608,10.42933426,4.713072,1.016064,152.0316481,195.291962,123.7881289,95.4413059,96.29894942,112.5840162,76.60085098,58.96803508,31.08374443,7.269205143,7.493834,7.456108216,7.310704762,7.390455636,7.019816333,6.89675037,6.85152,6.718464,1.123865937,1.471195017,1.018226448,0.830415009,0.836286936,1.030180149,0.779190725,0.66759004,0.444612905,168.3364072,147.8789875,163.0591679,170.0733615,171.9742892,161.5268998,170.9889728,174.3192839,184.917652,2.05952381,2.25,1.939189189,1.797619048,1.734848485,1.541666667,1.37037037,1.333333333,1,0.178509275,-0.036505148,-0.067277924,0.025138728,-0.031248497,0.005525048,0.011147805,-8.31E-04,0.004795902,638.6281311,-22.56118033,-206.8577448,1.149683429,-86.93481894,-164.7348579,13.51085567,13.18628131,133.9277159,965.983639,-166.0761568,-326.397773,-14.94873934,160.4770543,-289.9080397,-23.0521586,-23.75519277,200.6691865,1.082321143,0.050429388,-0.252110204,-0.143723429,-0.440213224,-6.99E-05,0.090429388,0.073603592,0.080493796,4.253148428,-1.120695763,-1.413517255,-0.226441112,1.49975024,-1.217964601,-0.202667336,-0.218043336,0.773004949,23.45618849,-6.732245357,-7.700878117,-1.583878741,9.3281859,-6.461662675,-1.234727307,-1.348175981,4.005288032,7.238095238,-0.583900227,-2.300453515,0.857142857,-2.707482993,-0.414965986,0.801020408,-0.132653061,0.862244898,0.008500442,-0.001825257,-0.001818322,5.99E-04,-9.47E-04,2.30E-04,4.13E-04,-4.61E-05,5.33E-04,30.41086339,-1.128059016,-5.590749859,0.027373415,-2.634388453,-6.863952412,0.500402062,0.732571184,14.88085733,45.9992209,-8.303807841,-8.821561433,-0.355922365,4.862941041,-12.07950166,-0.853783652,-1.319732932,22.29657628,0.051539102,0.002521469,-0.006813789,-0.003421986,-0.013339795,-2.91E-06,0.003349237,0.004089088,0.008943755,0.202530878,-0.056034788,-0.038203169,-0.005391455,0.045446977,-0.050748525,-0.007506198,-0.012113519,0.085889439,1.116961357,-0.336612268,-0.208131841,-0.037711399,0.2826723,-0.269235945,-0.045730641,-0.074898666,0.445032004,0.344671202,-0.029195011,-0.062174419,0.020408163,-0.082044939,-0.017290249,0.029667423,-0.007369615,0.095804989,-0.214725009,-0.213909153,0.070412945,-0.111397053,0.027082163,0.048571791,-0.005428162,0.062688278,-0.037093949,-0.18384055,9.00E-04,-0.086626559,-0.225707252,0.016454714,0.024089128,0.489327026,-0.180520619,-0.191776323,-0.007737574,0.1057179,-0.26260231,-0.018560829,-0.028690332,0.48471639,0.048923425,-0.132206209,-0.066395926,-0.25882862,-5.65E-05,0.06498438,0.079339536,0.17353339,-0.276672816,-0.188628862,-0.02662041,0.2243953,-0.250571793,-0.037061991,-0.059810725,0.424080712,-0.301364291,-0.186337549,-0.033762492,0.253072587,-0.241043205,-0.040942008,-0.067055736,0.398430976,-0.084703947,-0.180387624,0.059210526,-0.238038278,-0.050164474,0.086074561,-0.021381579,0.277960526,1.231929277,1.688801535,1.268942294,1.779412812,0.194715834,0.135706458,0.14012801,0,1.351907573,1.316130634,0.978903658,1.099377663,1.105836639,0.702118501,0.631906651,0,1.667047457,1.246448236,0.876104304,0.722047134,1.359488082,0.863167037,0.776850333,0,0.915140581,1.644911193,1.428219703,1.947775669,0.127820965,0.081156168,0.073040552,0,1.833557922,1.251575773,0.877216355,0.581464426,1.380344097,0.876408951,0.788768056,0,1.868478074,1.261972458,0.889767073,0.565045794,1.359569737,0.863218881,0.776896993,0,1.139802632,1.530938834,1.184210526,1.674641148,0.402960526,0.281432749,0.460526316,0,29.70708711,14.97854355,23.72829127,29.88565854,4.269379791,14.97854453,0.25,1.11E-16,1.59E-17,-25.7157604,2000011.23,285715.89,10.15606435,29.7174717,14.98336864,23.73699868,29.89551854,4.270788363,14.98336961,0.249265579,2.22E-16,3.17E-17,-25.23055737,2000011.228,285715.8897,10.15606435,38.93559697,19.26830125,31.595641,38.65060092,5.521514417,19.26830126,-0.398994478,1.11E-16,1.59E-17,-25.7157604,2000010.301,285715.7573,10.15606402,29.72837056,14.98843268,23.74613782,29.90586684,4.272266692,14.98843364,0.2484948,8.88E-16,1.27E-16,-24.26015132,2000011.226,285715.8894,10.15606435,48.72681831,23.82226202,40.0843072,47.95375098,6.850535854,23.82226202,-1.082294264,2.78E-16,3.97E-17,-25.07435689,2000010.022,285715.7175,10.15606392,30.79482661,15.4839804,24.64280318,30.91849389,4.416927698,15.48398097,0.173134186,7.77E-16,1.11E-16,-24.35362329,2000011.034,285715.862,10.15606428,28.88838057,14.65053949,22.99848659,29.18316515,4.169023592,14.65054093,0.412698413,5.55E-16,7.93E-17,-24.58915386,2000012.131,285716.0187,10.15606466,0,11.89,15.99491614,-0.380655994,0.063589863,4.879172086,6.070104019,6,20,20,20,6,0,0,0,0,0,17.220898,3.419068016,3.158726067,2.625120465,2.18392002,1.563259416,1.33214981,0.70705436,0.083923071,1.799756791,1.708882991,1.254470005,1.091617933,0.676477276,0.62252576,0.083923071,0.083923071,3.375251928,3.197240258,2.581583631,2.253323613,1.595900636,1.442861713,0.497708127,0.270913902,1.768674051,1.631733601,1.203259286,0.975709625,0.550970175,0.473240653,0.270913902,0.270913902,3.56618115,3.364701014,2.877546745,2.546003084,2.021272873,1.884943921,1.135116734,0.943918427,1.534247314,1.397661851,0.845187907,0.601565151,0.058264218,0.035334264,0.943918427,0.943918427,3.380025133,3.225530555,2.59274963,2.303876515,1.650289191,1.522049418,0.43997956,0.399277246,1.750621375,1.581957035,1.166970653,0.899064477,0.467380229,0.37260324,0.399277246,0.399277246,3.613969639,3.444790866,2.96224669,2.679762813,2.182375203,2.074844725,1.208515408,1.207644823,1.481460488,1.322620074,0.757207468,0.474040332,0.103881557,0.220196471,1.207644823,1.207644823,3.618413883,3.285915969,2.954152455,2.401877879,1.905766324,1.627016104,1.247388856,0.6,1.616123178,1.509387149,0.920014816,0.769985066,0.289583524,0.235437737,0.6,0.6,0,0,0,0,0,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,5.236675415,2.991563832,1.612372436,0.696923425,0.390737207,0.204124145,0.102062073,0,0.748096488,0.498593972,0.322474487,0.174230856,0.130245736,0.102062073,0.102062073,0,10.50759373,20.54552076,19.42745098,19.72,12.07012096,162.609612,0.500361606,0.978358131,0.925116713,0.939047619,0.574767665,7.743314856,1.823,31.401,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.131944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.047222222,0,0,0,0,0,0,0,0,0,0,0,4.241388889,0,4.126666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.131944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.131944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,2.120694444,0,0.924444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.131944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.131944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.120694444,0,1.138888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.131944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.5,1.928571429,0.45,5.131944444,0.152777778,0.924444444,3.821333333,0.575555556,1.631944444,3.746666667,0.575555556,1.631944444,3.746666667,3.33333,0.47619,0,0.02381,0.46984,0.80952,0.42174,0.46984,0.80952,0.0481,0,-0.0481,0,0.58823,0.12606,0,0.3,0,0,3.5,0.5,3.5,0.5,0,0,-3.5,-0.5,0,0,5.57386,0.79627,6.60412,1.03026,0.14718,2.90492,0.41499,3.41421,0.50929,0.07276,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6.01,1,1,1,1,0,0,1,1.115520094,1.568366522,2.606137661,2.606137661,2.41566147,1.825551117,23.42592197,32.93569697,54.72889087,54.72889087,50.72889087,38.33657345,0.253970737,0.357070396,0.593340009,0.593340009,0.549974248,0.415623677,3.276797329,2.8239509,1.786179762,1.786179762,1.976655953,2.566766306,0.258107046,0.362885844,0.603003475,0.603003475,0.558931435,0.422392755,9.935135927,15.36929307,16.4151848,16.4151848,14.12947052,10.40007326,25.72285013,18.76371638,20.04782517,20.04782517,23.23026499,22.15481824,7,6,6,7,0,3,2.01,1.0127,0.166666667,3.181082915,0,0,2.941682753,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.296,0.29,0.312,0.054,3.128,5,4,3,2,1,0,0,0,0,28,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.666666667,6,1,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,9.23,121.1225932,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,102.1044651,4.862117384,12.83378878,1.833398397,2.853553391,2.853553391,0,56,4,1.582,22,1.2239,2.091122643,2.818252788,3.572204366,4.816805387,5.640418145,6.94384689,7.922010606,0,0,80.31687478,69.5137613,75.07640288,87.14076207,109.0121668,70.13035649,35.07764047,8.049269784,0,0,260.8372223,275.7225685,292.4373291,397.3102538,589.0702199,476.9504105,427.1955921,246.2457531,0,0,9.248938802,15.66220198,20.71319184,26.81138907,33.92972229,39.0531084,47.66051122,53.22374306,0,0,1.90483678,2.226671922,2.450798186,3.296224989,5.255691042,4.707338654,4.777425904,3.522228148,0,0,179.4180724,337.8536422,476.4097347,605.750929,769.4995852,952.7296452,1203.707309,1464.919601,0,0,2.871225,4.17522941,5.305304475,6.687426729,7.671651108,8.079029629,9.470416811,7.922010606,0,0,0.4256175,0.519830036,0.586198585,0.771011993,1.12268618,1.024106278,1.058705943,0.811213886,0,0,396.1003793,226.4885267,12.5697956,162.0718525,-92.67200186,-12.49618781,234.0285269,319.1605286,25.06598341,0.709638274,0.405768173,0.022519565,0.290361726,-0.16602761,-0.022387692,221.0922328,126.4196064,7.016110863,90.46400762,-51.72693811,-6.97502504,0.098473281,0.66569387,2.02158366,9.327437162,544.1606304,14.01160141,0.974897351,0.025102649,443.6860744,21.06385706,7.627085227,579.3045795,24.06874695,8.33621654,667.856756,25.84292468,8.740999751,2.42151573,2.42151573,627.1908366,607.4211925,39.82827341,1.032546846,15.747377,15.25100489,3.903411932,4.338526665,8.600791147,0.982422101,3.90460794,4.55967133,5.040566682,14.24422565,4.013011505,0.845362757,5.186890745,9.229936471,2.216485441,2.728733409,3.755848443,0.912881793,4.154652257,0.214813565,0.763177555,1.521487749,2.40E-07,1.53E-35,1.89E-85,4.48E-157,2.05E-250,0,0,0,0,0,0,0,0,0,0.327686927,4.813542715,0.470196129,2.895626345,0.032055047,0.820312507,0.245131738,0.23287286,0.060593968,0.160606981,1.946520837,0.034632403,0.189167332,0.002025066,0.064042037,0.010715963,1.69E-09,1.08E-37,1.33E-87,3.16E-159,1.45E-252,0,0,0,0,0,0,0,0,0,1.057812657,4.341085821,1.002081668,4.100108725,0.304272103,0.801886634,0.910766888,1.039844709,0.274257118,0.563527452,2.315617905,0.139459066,0.7054067,0.016244515,0.206739565,0.111668593,1.76E-08,1.12E-36,1.38E-86,3.29E-158,1.51E-251,0,0,0,0,0,0,0,0,0,3.685631458,4.812755274,5.737256696,13.65092611,3.578131878,0.852820253,4.774961086,8.416852542,2.004410397,2.52860656,3.645003011,0.832780611,3.808163435,0.191451428,0.720373111,1.355618193,2.14E-07,1.36E-35,1.68E-85,3.99E-157,1.83E-250,0,0,0,0,0,0,0,0,0,1.559021119,4.161560603,1.202729165,5.174960583,0.651590744,0.797090595,1.466579705,1.87365065,0.488153096,0.876132904,2.569058358,0.233522881,1.146846183,0.034680324,0.304700192,0.242559105,3.82E-08,2.44E-36,3.01E-86,7.14E-158,3.27E-251,0,0,0,0,0,0,0,0,0,4.715379565,4.720085015,7.050832498,18.62626988,5.840235263,0.868974442,6.89708608,13.05756078,3.092643361,3.518431852,4.166349673,1.239362262,5.555315987,0.313048085,0.921667539,2.218946891,3.50E-07,2.23E-35,2.75E-85,6.53E-157,2.99E-250,0,0,0,0,0,0,0,0,0,2.409701144,5.032097631,4.994655618,8.739765291,1.456792455,0.727076305,2.377840926,3.881973994,0.941283208,1.313378051,2.995499898,0.394937075,2.221705219,0.077891032,0.549458962,0.54773559,8.63E-08,5.51E-36,6.79E-86,1.61E-157,7.39E-251,0,0,0,0,0,0,0,0,0,7.573476642,0.691357653,0.4738783,0.866658167,0.07911436,0.596700627,0.514844529,0.571408895,8.738712595,9.152506659,20.37243704,0.799987251,1.682954051,5.851122691,0.307127183,0.098173325,0.935218495,0.049089899,0.356159328,0.101603125,0.024524511,6.256423199,2.401614695,8.834459171,0.902827743,0.482286964,6.859715641,0.46189303,0.25657488,0.905192596,0.060950362,0.489528678,0.229801771,0.167510341,7.578183552,5.046995714,13.43812519,0.857788894,0.886840791,7.415422344,0.676386375,0.457197058,0.867401723,0.079118718,0.572054881,0.492788149,0.531888019,8.549005777,8.715241781,19.55740656,0.801102585,1.596731049,7.240194484,0.534939788,0.329191835,0.893374031,0.066006696,0.545338774,0.308233867,0.275747424,8.104326106,6.432578818,15.81188732,0.840061047,1.129320065,7.621799163,0.717990994,0.498324933,0.862378356,0.081238023,0.604339408,0.555275544,0.631885788,8.838115089,9.628308526,21.19344858,0.793567534,1.79150074,7.513676846,0.680141062,0.462574781,0.867991682,0.078570958,0.587314792,0.498274364,0.544474139,8.65639269,8.900613675,19.92093009,0.801987522,1.630063295 +UMLYSI0337,L,3-methylbutanal,CC(C)CC=O,saturated aldehyde,C5H10O,590-86-3,11552,PubChem,,27.9,0,0.4153,0.17247409,25.1109,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,890.291353,961.959145,741.034439,519.665082,102.858336,0,0,0,2644.81273,3144.163273,3902.70958,3689.887106,2289.207943,678.5842503,0,0,0,118.238936,111.372268,196.343212,239.359268,234.2862,97.137792,0,0,0,19.03383305,23.6303831,31.73161866,32.4766026,21.90328637,5.876285345,0,0,0,2668.599586,2191.74623,4283.844262,5382.682973,5785.03966,2220.611572,0,0,0,75.02777778,42.66666667,58.83333333,73.66666667,73,48,0,0,0,61.71557788,59.35275687,35.62811648,22.45558906,15.74742673,8.571528,0,0,0,165.3007956,209.6108849,144.5447993,111.8147608,69.36993767,56.54868753,0,0,0,7.3899335,7.424817867,7.271970815,7.253311152,7.099581818,8.094816,0,0,0,1.189614566,1.575358873,1.175245136,0.984139473,0.663735951,0.489690445,0,0,0,166.7874742,146.1164153,158.6608986,163.1116052,175.3042321,185.0509644,0,0,0,4.689236111,2.844444444,2.179012346,2.232323232,2.212121212,4,0,0,0,0.132861014,-0.027970109,-0.033442124,-0.027325259,0.050125604,-0.02781862,0,0,0,523.7576238,-43.92541314,-72.35878758,-265.2186139,283.4446058,-163.8206031,0,0,0,766.4429154,-94.95499335,-126.6965922,-459.0085307,253.7434462,43.69521233,0,0,0,1.03666,-0.00156025,-0.03636825,-0.12673775,0.21860725,-0.572271,0,0,0,3.391946473,-0.464107523,-0.555736367,-1.990194229,0.331404462,0.982660422,0,0,0,18.82152525,-2.587911668,-3.010722357,-10.73771204,0.454703188,6.470880247,0,0,0,33.31770833,0.50249566,-0.754882813,-6.070203993,7.256184896,-17.59244792,0,0,0,0.008303813,-0.001864674,-0.001238597,-8.28E-04,0.001518958,-0.002318218,0,0,0,32.73485148,-2.928360876,-2.679955095,-8.036927693,8.589230478,-13.65171692,0,0,0,47.90268221,-6.33033289,-4.692466377,-13.90934941,7.689195338,3.641267694,0,0,0,0.06479125,-1.04E-04,-0.001346972,-0.003840538,0.006624462,-0.04768925,0,0,0,0.211996655,-0.030940502,-0.020582828,-0.060308916,0.010042559,0.081888368,0,0,0,1.176345328,-0.172527445,-0.111508235,-0.325385213,0.013778884,0.539240021,0,0,0,2.082356771,0.033499711,-0.027958623,-0.183945576,0.219884391,-1.466037326,0,0,0,-0.224556339,-0.149160044,-0.099717817,0.182922909,-0.279175147,0,0,0,-0.089456978,-0.081868558,-0.245515936,0.262387947,-0.41703922,0,0,0,-0.132149863,-0.097958322,-0.290366818,0.16051701,0.076013858,0,0,0,-0.001605412,-0.020789416,-0.059275564,0.10224316,-0.736044605,0,0,0,-0.145948065,-0.097090345,-0.284480508,0.047371311,0.386271984,0,0,0,-0.146663943,-0.094792093,-0.276606882,0.011713299,0.458402824,0,0,0,0.016087402,-0.013426433,-0.088335283,0.105594005,-0.70402793,0,0,0,0.925349373,0.779532357,0.829975122,0.589696346,3.185268947,0,0,0,1.170927332,1.02653417,1.147543491,0.531589763,1.609022505,0,0,0,1.491123972,1.185012412,1.261327595,0.579229497,0.408285104,0,0,0,0.512040592,0.612097184,0.76886785,0.650362265,4.07984778,0,0,0,1.594610489,1.21706953,1.266745372,0.64166182,0.020210666,0,0,0,1.599979575,1.211617284,1.255383022,0.662366086,7.66E-05,0,0,0,0.506904278,0.605144773,0.796206555,0.641209658,4.051899328,0,0,0,19.65093296,9.950466481,15.60628698,19.81759963,3.302933272,9.950599788,0.25,0.033503475,0.005583913,-2.037663661,16.86552377,2.810920628,1.695162915,19.65268032,9.950972951,15.60720821,19.81885738,3.303142896,9.951106164,0.249265579,0.03345557,0.005575928,-2.038522195,16.8672943,2.811215716,1.695225899,21.19866045,10.39983299,16.47993806,20.93266413,3.488777355,10.39990817,-0.398994478,0.010752427,0.001792071,-2.719574291,19.3870621,3.231177016,1.778763565,19.6545142,9.951504499,15.6081752,19.8201774,3.3033629,9.951637614,0.2484948,0.033405286,0.005567548,-2.039424671,16.86915432,2.811525721,1.69529206,22.8345941,10.87614992,17.53837572,22.11306459,3.685510766,10.87619377,-1.082294264,0.058730654,0.009788442,-1.700876087,28.1891575,4.698192916,2.003362451,19.83387,10.00350209,15.70349242,19.94929279,3.324882131,10.00362607,0.173134186,0.028457211,0.004742868,-2.135612219,17.06047574,2.843412623,1.702058657,23.98518917,11.97094771,19.10785209,24.18346959,4.030578266,11.97096751,0.59484127,0.083676532,0.013946089,-1.488478036,14.2113786,2.3685631,1.592425772,0,11.9887401,16.00592442,-0.389415296,0.206546758,3.448105738,7.087753907,5,15,14,14,4,1,1,0,0,1,11.89007,3.496016679,2.994807829,2.333552793,1.98514033,1.014915606,0.494838491,0.083923071,0.083923071,1.859007698,1.369787113,1.249629723,0.711998621,0.377204248,0.083923071,0.083923071,0.083923071,3.487161469,2.906688387,2.405454588,1.934637465,1.11823014,0.412461744,0.270913902,0.270913902,1.811121999,1.354870117,1.134540686,0.672725525,0.222006853,0.270913902,0.270913902,0.270913902,3.625289724,3.14266729,2.704236987,2.296120743,1.598867836,1.060231696,0.943918427,0.943918427,1.624424455,1.070686567,0.76031856,0.244030788,0.32230101,0.943918427,0.943918427,0.943918427,3.499241838,2.897270937,2.457539916,1.9435306,1.199975669,0.424103115,0.399277246,0.399277246,1.783223913,1.347761515,1.058262671,0.638719319,0.11706891,0.399277246,0.399277246,0.399277246,3.673939013,3.184575389,2.838982085,2.394324628,1.799460465,1.208173581,1.207644823,1.207644823,1.57480681,1.020540268,0.631337262,0.144448437,0.519287804,1.207644823,1.207644823,1.207644823,4.721084554,3.387990474,2.60407788,2.454871158,1.39879782,1.196005829,0.566037736,0.566037736,1.746900068,1.058755885,0.905964672,0.259424872,6.71E-04,0.566037736,0.566037736,0.566037736,0,0,1,0,0,2,1,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.288675135,0.288675135,0,0.23570226,0.096225045,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.27005561,2.20689938,1.796215777,0.567629566,0.19245009,0,0,0,0.711675935,0.441379876,0.359243155,0.189209855,0.096225045,0,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,1.2314,25.519,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,1,0,1,0,0,0,0,0,0,0,0,2,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.615277778,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.578472222,0,0,1.238541667,0.401388889,0,0.578472222,0,0,0,0,0,0,0,0,4.044444444,0,0.694444444,0,0.949074074,0,0.530092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.615277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.615277778,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.578472222,0,0,0.265625,0.401388889,0,0.578472222,0,0,0,0,0,0,0,0,2.022222222,0,0.694444444,0,0.949074074,0,0.530092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.615277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.615277778,0.949074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.578472222,0,0,0.401388889,0.401388889,0,0.578472222,0,0,0,0,0,0,0,0,2.022222222,0,0.694444444,0,0.949074074,0,0.530092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.615277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.83333333,2.638888889,0.682986111,9.615277778,0.265625,0.530092593,2.572952315,1.050925926,2.615277778,5.319444444,1.050925926,2.615277778,5.319444444,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.42,0.49792,0.82778,0.07792,0,-0.07792,0,0.57047,0.14382,0,0.47059,0.17647,0,4.25,0.70833,2.75,0.45833,1.5,0.25,-1.25,-0.20833,0,0,4.04565,0.67428,5.69868,1.65303,0.27551,2.02858,0.3381,2.77005,0.74147,0.12358,0.14395,0.02399,0.14395,0.02399,0,5.01,1,1,1,1,0,0,0.8,1.198192411,2.091917187,2.780639062,2.780639062,2.280639062,1.030639062,19.17107858,33.47067499,44.490225,44.490225,36.490225,16.490225,0.299548103,0.522979297,0.695159766,0.695159766,0.570159766,0.257659766,2.801807589,1.908082813,1.219360938,1.219360938,1.719360938,2.969360938,0.299548103,0.522979297,0.695159766,0.695159766,0.570159766,0.257659766,10.71860945,18.22125574,18.91536689,18.91536689,12.91536689,4.785476243,21.96987352,15.45225468,15.43383437,15.43383437,12.43383437,5.433834373,6,3.2,5.333333333,6,1,4,1.9,0.8288,0.5,1.632993162,2,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.441,0.435,0.583,0.156,2.684,5,3,2,0,0,0,0,0,0,21,1.945910149,1.945910149,1.609437912,1.609437912,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,17.07,101.1901498,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,86.07316494,5.379572809,10.67917749,1.779862916,2.371664406,2.371664406,0,32,3,1.664,20,1.227733333,2.126553081,2.901560272,3.456843002,4.242960742,0,0,0,0,0,82.91488771,85.21390286,72.90670984,66.30056207,40.2057701,0,0,0,0,0,281.1234338,331.9206919,340.4013372,259.9792908,252.8664715,0,0,0,0,0,9.144762152,15.53293229,21.11207175,24.78573483,35.04497978,0,0,0,0,0,2.064173673,2.643509447,2.938146957,2.377252812,2.100630388,0,0,0,0,0,177.3432529,333.3974848,470.9540743,602.7570879,785.2316809,0,0,0,0,0,3.534177778,4.818781778,6.679488586,8.522000206,18.49542112,0,0,0,0,0,0.444661,0.582194611,0.666693395,0.588477235,0.67772117,0,0,0,0,0,230.1552049,107.7072939,8.291146027,103.4677814,-48.42052015,-18.98760508,126.6874236,156.1278141,27.27875111,0.689866149,0.322841346,0.024851843,0.310133851,-0.145135444,-0.05691336,76.78506677,35.93362904,2.766116897,34.5192302,-16.15419853,-6.334701509,0.256288965,0.647106569,2.659780969,33.94596087,281.1649176,52.45806869,0.842762427,0.157237573,381.0567412,19.52067471,7.249864389,477.927102,21.86154391,7.818448017,570.9315186,23.89417332,8.295858575,1.465289668,1.026791373,301.8277332,257.2850701,67.07648933,1.17312572,4.499754478,3.83569672,3.557487266,3.22022378,5.498950358,0.707629883,2.80222057,3.837729103,2.492369864,10.79078443,4.166859544,2.754288279,3.426134848,3.004866283,1.002440322,1.999778571,2.50E-11,6.03E-44,2.80E-98,2.51E-174,4.35E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.251664719,3.83762271,0.202187907,4.415488448,0.24962411,0.588508622,1.463359789,0.14367991,0.234177338,0.22355117,2.79E-12,6.74E-45,3.13E-99,2.81E-175,4.86E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765026468,3.837512295,0.511802256,5.123149987,0.519974405,0.642896791,1.142382403,0.502811366,0.246276049,0.387255149,4.84E-12,1.17E-44,5.43E-99,4.87E-175,8.42E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650178473,3.837775864,2.634083869,10.33204795,3.740505516,2.794481103,3.58018593,2.825560755,1.266570304,2.511796117,3.14E-11,7.57E-44,3.52E-98,3.16E-174,5.46E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.11993283,3.837480885,0.685578166,5.791738174,0.862530524,0.770466399,1.156024458,0.797000522,0.221087582,0.383454967,4.79E-12,1.16E-44,5.37E-99,4.82E-175,8.34E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.384110175,3.837849415,3.368627992,13.07190743,5.960749471,3.714513285,4.456738929,4.05773381,1.438941624,2.920694261,3.65E-11,8.80E-44,4.09E-98,3.67E-174,6.35E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.697532427,3.182914888,2.860413823,7.797079803,1.563590001,2.834715352,5.780377223,1.797573351,2.472712402,4.485085439,5.61E-11,1.35E-43,6.29E-98,5.64E-174,9.76E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.352720321,1.30250122,0.512147125,0.56455776,0.312547635,0.43397505,0.485279226,0.398283177,4.167368666,4.936432291,10.67323541,0.346836641,1.317537453,3.24761391,0.651004245,0.130917977,0.805952299,0.161558111,0.849621288,0.124409411,0.026747883,4.029536132,2.624609643,6.930933928,0.708928449,1.000778583,2.437788021,0.947699921,0.287050778,0.663788242,0.258050355,0.470123493,0.261673945,0.126805183,3.672538719,3.282098462,7.617808158,0.495682363,0.858602621,2.52702194,1.265445504,0.492183295,0.589784814,0.29534391,0.501487865,0.461893321,0.371091825,4.284650739,5.064397677,10.92295637,0.384677221,1.334473012,2.180300445,1.077622054,0.36186792,0.602327813,0.297702886,0.37311913,0.335102871,0.198968665,3.619790418,3.528477481,7.998490996,0.403491719,0.907190666,2.396128957,1.341057943,0.53824151,0.560441838,0.313666331,0.450151394,0.513952704,0.440076344,4.27542841,5.224856889,11.22984245,0.340662757,1.404180442,2.551751478,1.26518709,0.491122581,0.592320162,0.293679,0.511434763,0.461876326,0.369562071,4.308061148,5.103027746,10.99665017,0.388480243,1.34287316 +UMLYSI0338,L,2-methylpentanal,CCCC(C)C=O,saturated aldehyde,C6H12O,123-15-9,31245,PubChem,,27.6,0,0.1213,0.01471369,28.9101,19.363516,0,0,19,7,12,0,6,0,1,0,0,0,0,0,0,0,1133.745495,1058.76965,1155.667682,1091.646117,725.917463,356.665557,60.573744,0,0,3130.497121,3797.153407,4816.256692,4750.095578,3527.261999,1956.044116,619.045825,0,0,139.21638,133.148048,239.07272,302.008548,285.533156,174.055644,109.035072,0,0,22.71195886,28.64637172,39.4193088,40.96484066,31.40115684,18.43506103,6.939658816,0,0,3165.229247,2624.785681,5208.046461,6893.387388,6683.759385,4089.031531,2774.564654,0,0,79.27777778,47.91666667,67.33333333,90.83333333,92.5,59,33,0,0,59.67081553,58.82053611,35.02023279,25.99157421,18.61326828,14.86106488,4.0382496,0,0,164.7630063,210.9529671,145.9471725,113.0975138,90.44261537,81.50183816,41.26972167,0,0,7.327177895,7.397113778,7.244627879,7.190679714,7.321362974,7.2523185,7.2690048,0,0,1.195366256,1.591465096,1.194524509,0.975353349,0.805157868,0.768127543,0.462643921,0,0,166.591013,145.8214267,157.8195897,164.1282712,171.3784458,170.3763138,184.970977,0,0,4.17251462,2.662037037,2.04040404,2.162698413,2.371794872,2.458333333,2.2,0,0,0.137519489,-0.031350706,-0.046992197,0.020314961,-0.010744545,0.008799496,-0.008786754,0,0,605.7336044,-45.41908671,-118.1333037,-48.71572325,-64.97155007,-106.5571491,80.93001061,0,0,916.6964704,-95.75164029,-204.7022235,-242.1235427,32.32187064,-213.6323459,265.5396466,0,0,1.062550737,-0.002447645,-0.046150648,0.073387213,-0.302607302,-0.084322404,-0.169134582,0,0,4.063287563,-0.461433045,-0.881125483,-1.532864315,0.453442291,-1.052121779,1.442458548,0,0,22.47243353,-2.562605463,-4.73722168,-9.085567088,2.8695595,-5.918563279,8.198181243,0,0,33.99122807,0.761234226,-1.706986765,1.817636196,-9.841643583,-2.673130194,-5.352723915,0,0,0.007237868,-0.001741706,-0.001424006,4.84E-04,-2.76E-04,3.67E-04,-5.86E-04,0,0,31.88071602,-2.523282595,-3.579797081,-1.159898173,-1.665937181,-4.439881213,5.395334041,0,0,48.24718265,-5.319535572,-6.203097683,-5.764846254,0.828765914,-8.901347746,17.7026431,0,0,0.055923723,-1.36E-04,-0.001398504,0.001747315,-0.007759162,-0.003513434,-0.011275639,0,0,0.21385724,-0.025635169,-0.026700772,-0.036496769,0.011626725,-0.043838407,0.096163903,0,0,1.18275966,-0.14236697,-0.143552172,-0.216323026,0.073578449,-0.246606803,0.546545416,0,0,1.789012004,0.04229079,-0.051726872,0.043277052,-0.252349835,-0.111380425,-0.356848261,0,0,-0.240637981,-0.196743848,0.066827629,-0.038063854,0.050656586,-0.080933169,0,0,-0.079147614,-0.112287223,-0.036382438,-0.052255325,-0.139265417,0.169235033,0,0,-0.11025588,-0.128569117,-0.119485656,0.017177499,-0.184494664,0.366915582,0,0,-0.002431532,-0.025007357,0.031244604,-0.138745441,-0.062825458,-0.201625324,0,0,-0.119870476,-0.124853253,-0.170659499,0.054366761,-0.20498912,0.449664006,0,0,-0.12036847,-0.121370535,-0.182896858,0.062209129,-0.208501196,0.462093386,0,0,0.023639188,-0.028913653,0.024190476,-0.141055418,-0.062258065,-0.199466667,0,0,0.974115557,0.832866643,0.699169661,1.262394193,1.05333379,1.4735207,0,0,1.212328523,1.089507921,0.947325405,0.987618715,1.037599935,0.667808659,0,0,1.492302918,1.240677162,1.088121398,0.793790287,1.003310832,0.163854747,0,0,0.521883785,0.610673555,0.655651111,1.465618918,1.170760093,1.910609188,0,0,1.578834284,1.267715663,1.141947304,0.733883958,1.001734606,0.00809829,0,0,1.583316226,1.261713068,1.148613047,0.730781074,1.005046039,3.08E-05,0,0,0.504215054,0.606217009,0.658258065,1.470401985,1.180451613,1.906374194,0,0,27.2127799,13.73138995,21.16605273,27.39135133,3.91305019,13.73139333,0.25,0.149154664,0.021307809,-1.33194005,23.03386893,3.290552705,2.195875987,27.21459277,13.73192917,21.16681497,27.39263961,3.91323423,13.73193255,0.249265579,0.149113874,0.021301982,-1.332131509,23.03443094,3.290632991,2.195893066,28.82354751,14.21227652,21.88110701,28.53855146,4.076935922,14.21227839,-0.398994478,0.109067168,0.015581024,-1.551053959,23.98403968,3.426291383,2.224172017,27.21649541,13.73249511,21.16761504,27.3939917,3.913427386,13.73249848,0.2484948,0.149071054,0.021295865,-1.332332551,23.03502174,3.290717391,2.195911019,30.53534784,14.72652679,22.74372146,29.76228051,4.251754359,14.72652785,-1.082294264,0.057383124,0.008197589,-2.000603521,26.71334484,3.81619212,2.299614273,27.40265026,13.78789222,21.24635777,27.52631754,3.932331076,13.78789536,0.173134186,0.144832894,0.020690413,-1.35252226,23.09772701,3.299675287,2.19781395,32.95028093,16.42497711,26.02383448,33.19999748,4.742856783,16.42497736,0.582671958,0.178248303,0.025464043,-1.207204418,20.65139692,2.950199561,2.119448075,0,11.98869867,16.0059247,-0.388801484,0.208773483,3.68711114,7.476630383,6,18,17,17,5,1,1,0,0,1,14.076484,3.53668413,3.078397294,2.615772979,2.229809498,1.490978457,1.068261512,0.478983027,0.083923071,1.880376853,1.583343442,1.159844942,1.034127087,0.655362011,0.350265167,0.083923071,0.083923071,3.525492952,3.067573585,2.523421831,2.295061788,1.563375235,1.127130745,0.411630752,0.270913902,1.834891225,1.518234575,1.097043085,0.994709496,0.520341998,0.208183992,0.270913902,0.270913902,3.65796888,3.262324579,2.823271294,2.588556251,1.974139576,1.610829049,1.059676794,0.943918427,1.655133358,1.262863309,0.741010707,0.627548772,0.033686359,0.337649426,0.943918427,0.943918427,3.536018089,3.084954049,2.512477148,2.341741045,1.627282865,1.195146315,0.424097946,0.399277246,1.808597319,1.479646463,1.082739792,0.933018284,0.428863782,0.112948823,0.399277246,0.399277246,3.703640332,3.330883892,2.8810081,2.716538512,2.145458916,1.796770667,1.208173581,1.207644823,1.608384887,1.192570297,0.673210304,0.510994665,0.133715832,0.524225332,1.207644823,1.207644823,4.806572107,3.404769335,3.047504606,2.455244933,1.872628632,1.562524638,1.132322599,0.580645161,1.772937505,1.339279522,0.828475625,0.587434067,0.276123896,0.071070861,0.580645161,0.580645161,0,0,1,0,0,2,2,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.23570226,0,0,0,0.49279928,0.40824829,0.204124145,0.262891712,0.234708048,0.068041382,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,4.977162391,2.761740935,1.902041782,0.976324744,0.523383183,0.068041382,0,0,0.711023199,0.460290156,0.317006964,0.195264949,0.174461061,0.068041382,0,0,9.965765927,18.6576839,17.70196078,17.96,11.27156647,146.3240515,0.524513996,0.981983363,0.931682147,0.945263158,0.59324034,7.701265868,1.6215,30.136,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,5,1,0,1,0,0,0,0,0,0,0,0,2,0,2,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.894768519,1.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.556319444,0,0,1.523541667,0.401388889,0,0.556319444,0,0,0,0,0,0,0,0,4.024305556,0,2.142268519,0,1.003472222,0,0.268518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.894768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.894768519,1.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.556319444,0,0,0.244722222,0.401388889,0,0.556319444,0,0,0,0,0,0,0,0,1.940972222,0,1.03125,0,1.003472222,0,0.268518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.894768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.894768519,1.003472222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.556319444,0,0,0.401388889,0.401388889,0,0.556319444,0,0,0,0,0,0,0,0,2.083333333,0,1.111018519,0,1.003472222,0,0.268518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.894768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.33333333,2.476190476,0.620138889,9.894768519,0.244722222,0.268518519,3.166166019,1.064814815,2.894768519,5.956203704,1.064814815,2.894768519,5.956203704,3.33333,0.47619,0,0.02381,0.48772,0.80952,0.42174,0.48772,0.80952,0.06598,0,-0.06598,0,0.58823,0.12606,0,0.4,0.15,0,4.75,0.67857,3.25,0.46429,1.5,0.21429,-1.75,-0.25,0,0,5.23861,0.74837,7.07892,1.84031,0.2629,2.60301,0.37186,3.30805,0.70505,0.10072,0.10595,0.01514,0.10595,0.01514,0,6.01,1,1,1,1,0,0,0.833333333,1.167436723,2.034572366,3.010570934,3.431623566,3.037253039,2.419011062,22.18129774,38.65687495,57.20084775,65.20084775,57.70780774,45.96121018,0.27482501,0.47895647,0.708715232,0.807834775,0.714996438,0.569456766,3.08049079,2.213355148,1.237356579,0.816303948,1.210674475,1.828916451,0.27482501,0.47895647,0.708715232,0.807834775,0.714996438,0.569456766,10.29981851,17.83255323,21.13033112,20.39760745,17.54257399,12.00434031,25.71846446,17.92184219,15.32832875,15.59455716,14.66111835,10.88643057,7,4.166666667,3.84,7,1,5,2.01,0.9697,0.25,2.803965796,1.154700538,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.441,0.435,0.583,0.156,3.183,6,5,3,1,0,0,0,0,0,28,2.079441542,2.079441542,2.079441542,1.609437912,1.098612289,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,17.07,118.4861345,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,100.088815,5.267832369,12.66537523,1.809339318,2.380891944,2.380891944,0,50,5,2.018,24,1.231388889,2.132889774,2.890288772,3.540676027,4.461562314,5.348987186,0,0,0,0,82.79933054,83.83257515,85.07175249,80.96665549,81.91966031,24.95589892,0,0,0,0,284.2928587,335.3367584,349.2135203,356.3283888,399.4511637,232.0600992,0,0,0,0,9.138860388,15.51577123,20.87109463,26.09754354,32.78405159,39.49304635,0,0,0,0,2.093824968,2.689960165,2.939013284,3.053093067,3.612155687,2.494695174,0,0,0,0,177.4504105,332.7201993,471.2719773,600.5144079,752.3031568,989.4665891,0,0,0,0,3.321282407,4.503837199,6.498692844,8.89669721,12.31245319,13.10006069,0,0,0,0,0.447824583,0.587395971,0.666348967,0.723431882,0.876078505,0.680021276,0,0,0,0,268.8610336,140.7494065,10.91388531,65.23034453,-34.14824438,-15.3155574,203.6306891,174.8976509,26.2294427,0.804752984,0.421290149,0.032667366,0.195247016,-0.102212289,-0.04584242,89.82415323,47.02316319,3.646234982,21.7928957,-11.40863402,-5.116795678,0.233971534,0.577921739,5.768741947,27.15661571,287.1012514,46.99012668,0.859349478,0.140650522,443.1383103,21.05085058,7.623945197,559.3827433,23.65127361,8.239541045,694.0966451,26.34571398,8.854009462,1.649125414,1.432526845,465.7998223,416.2951371,77.95213774,1.11891728,5.975459248,5.340394109,3.940021325,3.602632437,6.724527782,0.866559495,3.360021677,4.786242811,2.80620012,16.27192827,6.46156216,4.271266587,4.212352388,7.024139837,4.579850381,2.383801222,1.718219096,0.012931066,0.001012485,1.53E-26,4.45E-71,2.50E-137,2.71E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,0.298477101,4.786097887,0.223674911,5.52305814,1.826842424,0.667136503,0.346058595,0.274084782,1.103242277,0.062909745,0.765874296,0.001445565,1.13E-04,1.71E-27,4.98E-72,2.80E-138,3.03E-226,0,0,0,0,0,0,0,0,0,0,0,0,0,0.916142542,4.785990126,0.58436112,6.59076813,1.62612952,0.843714954,0.925079916,1.020443199,1.460882999,0.293449845,0.532786532,0.002504099,1.96E-04,2.96E-27,8.62E-72,4.85E-138,5.25E-226,0,0,0,0,0,0,0,0,0,0,0,0,0,3.176697216,4.78628537,2.926974108,15.59065392,6.211446236,4.360234943,4.050813067,6.387515248,4.898712397,2.155680631,1.979494898,0.016241897,0.001271719,1.92E-26,5.59E-71,3.14E-137,3.41E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,1.34265012,4.785962085,0.795750263,7.605443573,1.851343104,1.055992472,1.347058818,1.720292022,1.659939391,0.523920499,0.460617422,0.002479522,1.94E-04,2.93E-27,8.54E-72,4.80E-138,5.20E-226,0,0,0,0,0,0,0,0,0,0,0,0,0,4.057735794,4.786380777,3.763444769,20.51627,8.904710803,5.901730286,5.486921842,9.634927544,6.060688955,3.32611798,2.377287688,0.01888593,0.001478744,2.23E-26,6.50E-71,3.65E-137,3.96E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,2.068370478,4.063942,3.167452769,11.70657928,6.430267458,4.819113389,2.862903403,2.803819057,6.478263224,1.005951895,4.079993413,0.030517886,0.002389508,3.61E-26,1.05E-70,5.91E-137,6.40E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,3.757353698,1.20377882,0.534657815,0.683678501,0.219036526,0.52130945,0.480105367,0.39765211,5.495790333,7.175531071,15.08959089,0.525517752,1.399066928,4.387294305,0.646412151,0.143773825,0.847380206,0.124850722,0.710536598,0.124216175,0.027668795,5.177480281,3.559715581,9.14493848,0.771070308,0.862421567,3.707240621,0.890788316,0.303978539,0.756269883,0.181719085,0.503945766,0.25674346,0.126471551,4.902007476,4.700068748,10.60592481,0.634404825,0.887160777,3.902889247,1.183141689,0.516232048,0.696662984,0.211189959,0.56026633,0.461246437,0.369547974,5.602262983,7.243243139,15.22929587,0.544994476,1.391060741,3.517232197,0.99174179,0.379299193,0.719524476,0.202881826,0.455221908,0.325392904,0.198667777,4.888273179,5.198436346,11.40977572,0.579286714,0.979282589,3.811298727,1.241204571,0.561843394,0.678849907,0.221077293,0.536599507,0.51029665,0.439520827,5.614346692,7.569317004,15.84152084,0.51827486,1.486416984,3.935258146,1.185274195,0.515396507,0.698244824,0.210306806,0.56942563,0.462553089,0.368169081,5.635928848,7.303464413,15.34338808,0.547367236,1.4001478 +UMLYSI0339,L,tert-butanol,CC(C)(C)O,saturated alcohols,C4H10O,75-65-0,6386,PubChem,,27.5,0,0.5733,0.32867289,22.0651,14.50993,0,0,15,5,10,0,4,0,1,0,0,0,0,0,0,0,843.185125,750.047136,1139.499786,399.391776,36.578304,0,0,0,0,2221.295828,2687.923385,3605.859075,3147.591619,1119.0148,0,0,0,0,110.69842,106.185288,184.365696,234.710784,241.864704,0,0,0,0,16.24493305,20.26270678,27.52167924,28.19734238,16.00606457,0,0,0,0,2541.80523,2097.013603,4035.897399,4882.231992,6657.035473,0,0,0,0,59.5625,39,69.5,96,36,0,0,0,0,56.21234167,53.57479543,45.57999144,13.3130592,1.016064,0,0,0,0,148.0863886,191.9945275,144.234363,104.9197206,31.08374443,0,0,0,0,7.379894667,7.584663429,7.37462784,7.8236928,6.718464,0,0,0,0,1.082995537,1.447336198,1.10086717,0.939911413,0.444612905,0,0,0,0,169.453682,149.7866859,161.435896,162.7410664,184.917652,0,0,0,0,3.970833333,2.785714286,2.78,3.2,1,0,0,0,0,0.209745415,-0.119119929,0.078127426,-0.130811931,0.066931726,0,0,0,0,476.9038497,-65.66428988,245.6175854,-975.4218619,557.0166414,0,0,0,0,665.1575892,-80.97945498,177.304901,-1194.02262,765.1183794,0,0,0,0,1.034995733,-0.103350151,0.190916711,-1.055573867,0.45050944,0,0,0,0,2.896898448,-0.288018268,-0.045202434,-3.86821962,2.752991098,0,0,0,0,16.06108614,-1.477481838,-1.662902405,-18.82683654,13.93667771,0,0,0,0,23.525,-6.415,10.9875,-27.225,10.89,0,0,0,0,0.013983028,-0.008508566,0.003125097,-0.004360398,0.001859215,0,0,0,0,31.79358998,-4.69030642,9.824703418,-32.51406206,15.47268448,0,0,0,0,44.34383928,-5.784246784,7.09219604,-39.800754,21.25328832,0,0,0,0,0.068999716,-0.007382154,0.007636668,-0.035185796,0.012514151,0,0,0,0,0.193126563,-0.020572733,-0.001808097,-0.128940654,0.076471975,0,0,0,0,1.070739076,-0.105534417,-0.066516096,-0.627561218,0.387129936,0,0,0,0,1.568333333,-0.458214286,0.4395,-0.9075,0.3025,0,0,0,0,-0.608492417,0.223492157,-0.311835018,0.132962235,0,0,0,0,-0.147523649,0.309015227,-1.022660923,0.486660503,0,0,0,0,-0.130440821,0.159936446,-0.897548671,0.479283902,0,0,0,0,-0.106988175,0.110676811,-0.509941168,0.181365257,0,0,0,0,-0.106524618,-0.009362241,-0.667648468,0.395968186,0,0,0,0,-0.098562217,-0.062121667,-0.586100976,0.361553944,0,0,0,0,-0.292166388,0.280233794,-0.578639745,0.192879915,0,0,0,0,1.482686699,0.543511025,2.013787532,0.284471795,0,0,0,0,1.394650417,0.738816234,2.233482944,0,0,0,0,0,1.611680217,0.991184127,1.921895793,0,0,0,0,0,1.046261318,0.733292453,2.400667674,0,0,0,0,0,1.696559902,1.191227176,1.715582732,0,0,0,0,0,1.704790797,1.243807723,1.667924526,0,0,0,0,0,1.238044633,0.578746015,2.439957492,0,0,0,0,0,12.25716135,6.253580675,8.253580675,12.40716135,2.48143227,6.257590793,0.25,2.78E-16,5.55E-17,-17.91025492,4000000,800000,7.60090246,12.2599401,6.254602837,8.254602837,12.40949944,2.481899889,6.25860784,0.249265579,2.78E-17,5.55E-18,-19.06154747,4000000,800000,7.60090246,14.75944282,7.180224169,10.11952748,14.52004613,2.904009226,7.18163264,-0.398994478,0.102958187,0.020591637,-1.136716164,19.06535052,3.813070105,1.473936289,12.26285657,6.255675686,8.255675686,12.41195345,2.48239069,6.259675329,0.2484948,5.55E-17,1.11E-17,-18.71497388,4000000,800000,7.60090246,17.45758148,8.187643606,12.81294629,16.80820492,3.361640984,8.188145484,-1.082294264,0.192294932,0.038458986,-0.824362492,15.05472895,3.01094579,1.355846079,12.54880269,6.360968438,8.360968438,12.6526832,2.53053664,6.364482684,0.173134186,2.78E-17,5.55E-18,-19.06154747,4000000,800000,7.60090246,14.43274887,7.48095777,10.01533277,14.75024887,2.950049774,7.482133551,0.529166667,1.39E-16,2.78E-17,-18.25668087,4000000,800000,7.60090246,0,11.99646149,15.99794197,-0.415690965,0.082652418,4.576436188,6.860312569,4,14,14,14,4,0,0,0,0,0,10.93207,3.458270996,2.333552793,2.333552793,2.007291587,0.42280324,0.083923071,0.083923071,0.083923071,1.814053003,1.249629723,1.249629723,0.574437706,0.083923071,0.083923071,0.083923071,0.083923071,3.434533988,2.405454588,2.405454588,1.73213346,0.520996874,0.270913902,0.270913902,0.270913902,1.77899329,1.134540686,1.134540686,0.652044123,0.270913902,0.270913902,0.270913902,0.270913902,3.590479277,2.704236987,2.704236987,2.293161134,0.962656517,0.943918427,0.943918427,0.943918427,1.572492221,0.76031856,0.76031856,0.055305071,0.943918427,0.943918427,0.943918427,0.943918427,3.441393985,2.457539916,2.457539916,1.672763781,0.599620884,0.399277246,0.399277246,0.399277246,1.757873254,1.058262671,1.058262671,0.677111385,0.399277246,0.399277246,0.399277246,0.399277246,3.636631564,2.838982085,2.838982085,2.352183551,1.207644823,1.207644823,1.207644823,1.207644823,1.524783305,0.631337262,0.631337262,0.022173743,1.138470166,1.207644823,1.207644823,1.207644823,4.092326463,3.062952642,2.581467583,2.581467583,0.599666751,0.551724138,0.551724138,0.551724138,1.661087496,0.926295169,0.926295169,0.113038192,0.551724138,0.551724138,0.551724138,0.551724138,0,0,0,0,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,2,0.5,0,0,1.170820393,0.223606798,0,0,0,0,0,0,0,0,4.5,2,3,0,0,0,0,0,0.9,0.5,0.5,0,0,0,0,0,3.947213595,1.723606798,2.170820393,0,0,0,0,0,0.789442719,0.430901699,0.361803399,0,0,0,0,0,7.423938123,14.76984705,13.97647059,14.2,8.473011976,116.5531018,0.494929208,0.98465647,0.931764706,0.946666667,0.564867465,7.770206786,0.7772,21.9718,6.605551275,8.605551275,13.21110255,2.64222051,6.608188235,1.11E-16,2.22E-17,-18.36840028,4000000,800000,7.60090246,12,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.616666667,0,8.520833333,0,0,0,0,0,0,0,0,0,0,0.616666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.933333333,0,0,0,0,0,0,0,0,0,0,0,5.229166667,0,0,0,0,0,0,0,0,0,0,0,-0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.520833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.616666667,0,8.520833333,0,0,0,0,0,0,0,0,0,0,0.616666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,1.743055556,0,0,0,0,0,0,0,0,0,0,0,-0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.520833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.616666667,0,8.520833333,0,0,0,0,0,0,0,0,0,0,0.616666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,1.743055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.520833333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.25,2.65,0.616666667,8.520833333,0.25,-0.5,2.1365,1.75,2.520833333,5.041666667,1.75,2.520833333,5.041666667,2.33333,0.46667,0,0.03333,0.48444,0.85333,0.41765,0.48444,0.76111,0.0668,0,-0.0668,0.09222,0.54687,0.16742,0,0.78571,0,0.21429,2.25,0.45,2.25,0.45,0,0,-2.25,-0.45,0,0,4.22847,0.84569,5,0.77153,0.15431,1.72847,0.34569,2,0.27153,0.05431,0.414,0.0828,0.414,0.0828,0,4.01,1,1,1,1,1,1,1,1.158938532,1.687943095,1.687943095,1.427483722,0.70263873,0,17.38407799,25.31914642,25.31914642,21.41225582,10.53958094,0,0.296639618,0.43204258,0.43204258,0.365375914,0.179846021,0,2.747952063,2.218947501,2.218947501,2.479406874,3.204251866,3.906890596,0.304394667,0.443337469,0.443337469,0.374927936,0.184547736,0,10.66110191,13.57230224,13.57230224,10.44678976,0.7081369,0,18.1875248,16.24544595,16.24544595,14.68268971,4.240073582,0,5,1,0,5,0,3,1.79,0.7309,1.5,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.436,0.422,0.37,0.184,2.208,6,0,0,0,0,0,0,0,0,15,1.609437912,1.945910149,0,0,0,0,0,0,0,0,2.772588722,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,1,2,1,3,0,0,0,0,0,0,0,0,0,0.75,0,0,0,0,0,0,0,0,0,0.75,6.605551275,8.605551275,13.21110255,2.64222051,6.608188235,1.11E-16,2.22E-17,-18.36840028,4000000,800000,7.60090246,20.23,86.5306239,3.321928095,3.044522438,3.496507561,4.394449155,4.859812404,5.771441123,6.240275845,7.155396302,7.625107148,8.541105011,60.12861699,2.197224577,0,3.496507561,0,4.859812404,0,6.240275845,0,7.625107148,7.913521017,74.07316494,4.938210996,8.5,1.7,2.25,2.25,0,16,0,0.801,20,1.209285714,2.095021152,2.906638985,3.303286332,0,0,0,0,0,0,76.07321488,109.1287965,38.64823641,3.356350324,0,0,0,0,0,0,256.146358,331.3540611,305.3546485,102.6785081,0,0,0,0,0,0,9.195663069,15.61111858,22.71253592,22.1930103,0,0,0,0,0,0,1.87702597,2.457226319,2.738897029,1.468683732,0,0,0,0,0,0,178.755922,333.9341394,472.646529,610.8359525,0,0,0,0,0,0,3.401678571,6.357069851,9.253462051,3.303286332,0,0,0,0,0,0,0.417144579,0.577271252,0.667319736,0.33825652,0,0,0,0,0,0,320.6031628,160.2797338,16.50267359,106.4546997,-53.22009544,-12.63553505,214.1484631,213.4998292,29.13820864,0.750725349,0.375311516,0.038642711,0.249274651,-0.124620339,-0.029587408,136.9161014,68.4487205,7.047596508,45.46231648,-22.7280602,-5.39610459,0.421008211,0.780284733,17.89135637,19.28836902,359.8417532,67.21610924,0.842606553,0.157393447,283.9246063,16.8500625,6.572556742,389.1388631,19.72660293,7.300762184,454.6662314,21.32290392,7.689490533,1.174792123,1.174792123,109.5908581,106.5539726,105.1507768,1.028500913,1.042225853,1.013344606,3.014038931,2.151830091,4.101713045,0.906150984,3.224442391,3.228446154,2.187503163,7.030466169,7.514472883,2.276299341,2.497794444,7.73E-07,5.41E-35,7.30E-85,1.90E-156,9.53E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290510157,3.355247218,0.125311139,4.402254083,0.357190415,0.016400028,0.017592171,5.45E-09,3.81E-37,5.14E-87,1.34E-158,6.71E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.81835312,3.119027848,0.442912505,4.41602207,1.129447679,0.168012073,0.18332398,5.68E-08,3.97E-36,5.36E-86,1.39E-157,7.00E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.266568655,3.354973374,2.024703743,7.264462038,7.305800494,2.028396088,2.22548988,6.89E-07,4.82E-35,6.50E-85,1.69E-156,8.49E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.139201109,3.029276935,0.691617753,4.569221517,1.744108739,0.364039545,0.398204182,1.23E-07,8.63E-36,1.16E-85,3.03E-157,1.52E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.074611356,3.30871501,2.831796338,7.978389435,10.43733286,3.318570025,3.64279845,1.13E-06,7.89E-35,1.06E-84,2.77E-156,1.39E-249,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.832813375,3.039244864,0.774808975,9.233291292,5.008010028,0.694364973,0.760327441,2.35E-07,1.65E-35,2.22E-85,5.78E-157,2.90E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.403332726,1.329464702,0.809949017,0.396114356,0.375263859,0.532630821,0.499806382,0.434963838,3.542746446,4.079107916,9.132961118,0.157067322,1.467401042,0.773353719,0.741257412,0.730283432,0.344494451,0.330196983,0.262953223,0.185933687,0.150810295,2.244894562,1.67934959,4.342882179,0.016741676,0.599697205,1.069035356,1.031450202,0.638721949,0.390271768,0.37655059,0.313906816,0.300846324,0.260169641,2.739207508,2.444282964,5.887781531,0.150233536,0.87492278,1.358903165,1.286204148,0.848798054,0.38893531,0.368127929,0.49738741,0.467808369,0.482867012,3.493905366,3.992988826,8.970446253,0.135594858,1.448062791,1.20741088,1.159003143,0.621260261,0.404130693,0.387928212,0.400231862,0.379854612,0.24643727,2.987674284,2.869551999,6.726613547,0.188088358,1.026523744,1.434657734,1.356059995,0.844795172,0.3946232,0.373003764,0.555345353,0.520003161,0.476157561,3.635512901,4.303066823,9.582113491,0.151440445,1.551506075,1.36512678,1.292588588,0.843584308,0.389891442,0.369173938,0.502335313,0.472464095,0.475998337,3.501299675,4.006554273,8.996398357,0.13859807,1.450797746 +UMLYSI0340,L,methyl-2-butenoate,CC=CC(=O)OC,unsaturated esters,C5H8O2,623-43-8,638132,UML,,27.3,0,0.8118,0.65901924,27.9644,15.738344,0,0,15,7,8,0,5,0,2,0,0,0,0,0,0,0,1241.385119,1106.141034,1212.315318,998.195153,697.024867,292.502617,75.69072,9.144576,0,2799.036018,3096.632142,3328.100159,2961.47748,2335.451607,1467.796384,781.6709315,279.7536999,0,118.153724,109.664256,174.588744,147.939932,144.94294,112.993444,62.861184,60.466176,0,18.78781124,21.29307448,23.75537556,21.35216207,17.27006881,11.78552387,8.015104575,4.001516144,0,2484.215568,2065.393435,3609.437587,3048.638241,2986.013186,2405.143163,1473.488242,1664.258868,0,88.02777778,51.83333333,86.33333333,71.5,72.5,46.5,15,9,0,82.75900793,79.01007386,55.10524173,52.536587,38.72360372,20.89304407,8.41008,1.016064,0,186.6024012,221.1880102,151.27728,155.8672358,129.7473115,104.8425989,86.85232572,31.08374443,0,7.876914933,7.833161143,7.935852,7.786312211,8.052385556,8.070960286,6.984576,6.718464,0,1.252520749,1.520933891,1.079789798,1.123798004,0.959448267,0.841823134,0.890567175,0.444612905,0,165.6143712,147.5281025,164.0653449,160.4546442,165.8896215,171.7959402,163.7209158,184.917652,0,5.868518519,3.702380952,3.924242424,3.763157895,4.027777778,3.321428571,1.666666667,1,0,0.278560368,-0.17461315,0.033457551,0.050869353,-0.018752998,-0.048824017,0.005496338,0.013086739,0,573.1575397,-7.196493084,94.37062906,-12.9140178,-251.5343169,-313.1749754,-85.10919604,288.9796004,0,712.315963,-128.7342236,86.47757414,-87.44928912,-228.6785284,-134.1270374,-211.7758518,348.1293747,0,1.815918933,-0.036867271,0.465057564,-0.224833849,-0.740264587,-0.862799804,0.15673904,0.33500944,0,3.205580421,-0.988385284,0.404426279,-0.761956915,-0.70928995,0.338053275,-1.003499336,1.117861721,0,18.28483394,-6.119230739,2.447233791,-4.906467106,-3.635675451,3.108274692,-5.466851179,5.430299022,0,35.13703704,-2.079753086,8.989753086,-1.08654321,-16.13111111,-15.86308642,1.667777778,6.934444444,0,0.018570691,-0.012472368,0.001520798,0.002677334,-0.001041833,-0.00348743,6.11E-04,0.001454082,0,38.21050265,-0.51403522,4.289574048,-0.679685147,-13.97412872,-22.3696411,-9.456577338,32.10884448,0,47.48773087,-9.195301686,3.930798824,-4.602594164,-12.70436269,-9.580502669,-23.5306502,38.68104163,0,0.121061262,-0.002633377,0.02113898,-0.01183336,-0.04112581,-0.061628557,0.017415449,0.037223271,0,0.213705361,-0.070598949,0.018383013,-0.040102996,-0.039404997,0.024146662,-0.111499926,0.124206858,0,1.218988929,-0.43708791,0.1112379,-0.258235111,-0.20198197,0.222019621,-0.607427909,0.603366558,0,2.342469136,-0.148553792,0.40862514,-0.057186485,-0.89617284,-1.133077601,0.185308642,0.770493827,0,-0.671615704,0.081892362,0.144169882,-0.056100939,-0.187792137,0.03288538,0.078299838,0,-0.013452721,0.112261649,-0.017787914,-0.365714339,-0.585431741,-0.247486337,0.840314632,0,-0.193635314,0.08277504,-0.096921754,-0.267529369,-0.201746904,-0.495510099,0.814548114,0,-0.021752429,0.174613909,-0.097746878,-0.339710735,-0.50906918,0.143856495,0.307474666,0,-0.33035647,0.086020363,-0.187655543,-0.184389371,0.112990438,-0.521746041,0.581206092,0,-0.358565939,0.091254233,-0.211843688,-0.165696312,0.182134239,-0.498304697,0.49497296,0,-0.063417609,0.174442059,-0.024412909,-0.382576157,-0.483710792,0.079108253,0.32892379,0,1.644812824,1.026977391,1.029227429,1.232022785,1.194049348,0.086345605,0.017065029,0,0.886528078,0.862385788,0.942140589,1.358986968,1.598726698,0.985723243,0,0,1.336742001,0.846529161,1.071288269,1.125762813,0.983547532,1.474899694,0,0,0.733270619,0.910866252,0.997947864,1.596348794,1.889381699,0.06094692,0,0,1.608393009,0.854286157,1.189333788,1.048563073,0.645028699,1.465147039,0,0,1.651977177,0.85941215,1.217261833,1.05040898,0.598035438,1.395268849,0,0,0.600031622,0.587849881,1.05260384,2.023558554,1.860572362,0.132813323,0,0,21.88517734,11.19258867,17.29822704,22.2423202,3.177474314,11.19263738,0.5,0.084355818,0.012050831,-1.730898048,21.98396393,3.140566276,2.163219293,21.8945929,11.19656203,17.30369143,22.25068659,3.178669513,11.19661053,0.498531158,0.083988466,0.011998352,-1.733953063,21.99305688,3.141865268,2.163508765,30.38101637,14.79151371,22.73503099,29.81102426,4.258717751,14.79151473,-0.797988956,0.191842439,0.027406063,-1.155756612,126.1557073,18.0222439,3.386261841,21.90447524,11.20073242,17.30942816,22.25946781,3.179923973,11.20078069,0.4969896,0.08360298,0.011943283,-1.737173275,22.00263762,3.143233946,2.163813637,39.55012141,18.69276644,29.32944985,38.00398674,5.429140963,18.69276646,-2.164588529,0.344678453,0.049239779,-0.745600322,23.95883951,3.422691359,2.223436136,22.8737714,11.61001989,17.8793204,23.12110596,3.303015137,11.61005063,0.346268372,0.046227545,0.006603935,-2.151925606,23.14770792,3.306815417,2.199327036,19.96630236,10.38576297,16.44394121,20.45691461,2.922416372,10.38589616,1.144761905,0.150519333,0.021502762,-1.325564623,19.80455174,2.829221678,2.090138258,0,11.99640053,15.99825848,-0.34644693,0.285355323,3.96330756,6.49788282,6,14,12,12,4,2,2,0,0,2,11.619656,3.560492661,3.020672048,2.573426176,2.012340923,1.092550412,0.838311676,0.083923071,0.083923071,1.744664206,1.441759869,1.151675828,0.545474433,0.214469331,0.083923071,0.083923071,0.083923071,3.478587345,2.922008544,2.534431013,1.976293898,0.936820455,0.634052628,0.270913902,0.270913902,1.735492184,1.427394942,1.10857742,0.605770491,0.091705029,0.270913902,0.270913902,0.270913902,3.623959293,3.184827454,2.810087076,2.299672326,1.449276791,1.255790113,0.943918427,0.943918427,1.562216734,1.100545828,0.785661569,0.221926615,0.483736965,0.943918427,0.943918427,0.943918427,3.469479723,2.902255994,2.551883782,1.976960718,1.015739787,0.46514343,0.399277246,0.399277246,1.742177425,1.412875132,1.079042373,0.599876945,0.010096465,0.399277246,0.399277246,0.399277246,3.636728121,3.23461574,2.888979442,2.379576777,1.655297845,1.209058028,1.207644823,1.207644823,1.537373524,1.047661554,0.701320224,0.15344414,0.684894929,1.207644823,1.207644823,1.207644823,4.455898232,3.319160622,3.085733965,2.367705382,1.71186869,1.16626297,0.517241379,0.517241379,1.586650418,1.178687229,0.892690961,0.162819985,0.214218733,0.517241379,0.517241379,0.517241379,0,0,1,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.048112522,0,0,0,0.49279928,0.40824829,0.204124145,0.0758903,0.055555556,0.027777778,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,4.471197119,2.015855318,1.023159739,0.503933894,0.204124145,0.068041382,0,0,0.638742446,0.335975886,0.170526623,0.100786779,0.068041382,0.068041382,0,0,8.596909424,15.21267298,14.6,14.84,9.154697006,115.1647569,0.573127295,1.014178199,0.973333333,0.989333333,0.610313134,7.677650459,0.66169,26.56,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,1,0,2,0,0,0,0,0,0,0,0,2,0,0,0,2,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.36763889,2.688657407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.087916667,0,0,0,0.395902778,0,1.087916667,0,0,0,0,0,0,0,0,3.11037037,0,0,0,2.991898148,0,0,0,0,-0.303240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.10277778,4.264861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.264861111,-0.303240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.486875,0,0,0,0.395902778,0,0.486875,0,0,0,0,0,0,0,0,1.349537037,0,0,0,1.361111111,0,0,0,0,-0.303240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.10277778,4.264861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.10277778,1.630787037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.601041667,0,0,0,0.395902778,0,0.601041667,0,0,0,0,0,0,0,0,1.760833333,0,0,0,1.630787037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.10277778,4.264861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.16666667,2.880952381,0.670486111,10.10277778,0.395902778,-0.303240741,2.224168426,1.969907407,3.102777778,7.735277778,1.969907407,3.102777778,7.735277778,3.16666,0.45238,0,0.04762,0.58889,0.91905,0.42174,0.5549,0.91905,0.16715,0.03399,-0.13316,0,0.49223,0.22206,0,0.42105,0.1579,0,6.75,0.96429,3.75,0.53571,3,0.42857,-0.75,-0.10714,0,0,3.2182,0.45974,7.07892,3.86071,0.55153,1.5248,0.21783,3.30805,1.78325,0.25475,0.10595,0.01514,0.10595,0.01514,0,6.02,2,2,2,2,0,0,0.4,1.399581231,2.739572262,3.272905595,3.272905595,3.272905595,2.751986849,20.99371846,41.09358393,49.09358393,49.09358393,49.09358393,41.27980274,0.358234047,0.701215505,0.837726452,0.837726452,0.837726452,0.704393118,2.507309365,1.167318334,0.633985,0.633985,0.633985,1.154903746,0.349895308,0.684893065,0.818226399,0.818226399,0.818226399,0.687996712,13.02670534,24.88314042,25.4206471,25.4206471,25.4206471,19.16962215,25.92039149,15.92892941,15.28836362,15.28836362,15.28836362,12.16285114,7,4.166666667,3.84,7,5,4,1.79,0.8445,0.2,1.807204007,0.816496581,0,1,1.414213562,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.446,0.43,0.658,0.216,2.799,6,5,3,1,0,0,0,0,0,28,2.197224577,2.397895273,2.48490665,2.197224577,1.098612289,0,0,0,0,0,3.850147602,1.642857143,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,4,0.666666667,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,26.3,107.3439178,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,100.0524295,6.670161966,12.66537523,1.809339318,5.076588817,5.076588817,0,50,5,1.057,24,1.220563817,2.106015835,2.991301299,3.811044782,5.030104919,6.16682847,7.021570096,0,0,0,107.2929448,129.3492205,169.470702,170.8474422,117.1793641,54.97910754,7.134364598,0,0,0,289.4202148,345.4210733,495.8098009,542.5359694,562.4795866,559.1023776,218.2566904,0,0,0,9.655131031,16.88375991,23.33890764,30.55535553,40.72456165,43.18481267,47.17416592,0,0,0,1.941705787,2.412552197,3.527662418,3.947042396,4.446356601,5.679884964,3.121880677,0,0,0,178.8227035,341.6732857,476.423284,621.3702312,858.4159337,1000.707221,1298.412256,0,0,0,4.717777986,8.826825346,11.35036572,15.18702181,16.88843217,10.5589581,7.021570096,0,0,0,0.461477348,0.605217872,0.868053239,1.019296125,1.142160989,1.235840272,0.719008778,0,0,0,261.1838974,183.927062,12.24706836,129.583792,-91.2535818,-19.28859826,131.6001054,275.1806438,31.53566662,0.668386626,0.470681346,0.031341047,0.331613374,-0.233523867,-0.049360781,102.0622281,71.87275305,4.785758604,50.63715899,-35.65895131,-7.537360975,0.405188498,0.448154176,2.828864268,8.474580293,331.1571469,59.6105425,0.847452734,0.152547266,534.6457873,23.12240877,8.116249387,615.0161027,24.7995182,8.504109214,839.1496266,28.96807944,9.432202916,2.090509557,2.090509557,457.5152181,407.5944288,56.39976395,1.122476623,8.112005902,7.226881821,3.709578713,4.399658221,7.763361686,0.764537447,3.383209296,2.871476946,2.453453868,4.686856561,2.591922166,0.949122168,3.623818093,2.432212524,5.866713534,0.170207102,0.567758974,2.647467086,2.474919854,9.73E-04,0.003698717,2.71E-24,3.84E-67,1.05E-131,5.52E-218,0,0,0,0,0,0,0,0,0,0,0,0.292623606,3.133668632,0.24397605,2.769711711,0.207147311,0.76874233,0.492172224,0.225883397,0.511209499,0.014733365,0.113772196,0.191619367,0.093878879,6.86E-06,2.61E-05,1.91E-26,2.71E-69,7.38E-134,3.89E-220,0,0,0,0,0,0,0,0,0,0,0,0.919653173,2.640249571,0.540492555,2.682862382,0.335068132,0.539978744,1.034516567,0.413434434,1.176861193,0.044866273,0.144112051,0.638703347,0.378054338,7.14E-05,2.71E-04,1.99E-25,2.82E-68,7.70E-133,4.05E-219,0,0,0,0,0,0,0,0,0,0,0,3.196166162,3.135563468,2.777619634,5.304272787,2.381189506,1.101607589,3.715013197,2.259151424,5.88088002,0.165691671,0.517968005,2.477945244,2.257747886,8.67E-04,0.003295491,2.42E-24,3.42E-67,9.34E-132,4.92E-218,0,0,0,0,0,0,0,0,0,0,0,1.351406018,2.452946079,0.659651401,2.617581027,0.532635432,0.469453039,1.355168269,0.623045215,1.649767615,0.064615317,0.183432972,0.961707633,0.633064069,1.55E-04,5.90E-04,4.33E-25,6.12E-68,1.67E-132,8.80E-219,0,0,0,0,0,0,0,0,0,0,0,4.085725953,3.040487298,3.350806774,5.77667699,3.665866657,1.138649699,4.581158187,3.31069534,7.867490252,0.209624852,0.77735249,3.296903758,3.360086444,0.001419503,0.005394232,3.96E-24,5.60E-67,1.53E-131,8.05E-218,0,0,0,0,0,0,0,0,0,0,0,1.828281107,3.495327968,1.896825543,6.386673054,1.211147263,1.268664476,2.362011892,1.211176863,3.610317413,0.097541356,0.240715828,1.310226223,0.928171406,2.60E-04,9.90E-04,7.26E-25,1.03E-67,2.81E-132,1.48E-218,0,0,0,0,0,0,0,0,0,0,0,6.712146837,0.686124989,0.214289005,0.881719961,0.090130641,0.631529619,0.437946789,0.266655457,7.612560832,6.190739985,14.79018133,0.822579941,1.336131865,4.131660267,0.546373854,0.032362634,0.877136361,0.115993171,0.239366331,0.27702352,0.006081888,4.710396755,2.408824648,7.192277819,0.815704541,0.522471739,5.301828276,0.4960903,0.101293153,0.898735038,0.084094337,0.393979825,0.229134531,0.059581424,5.899211729,3.217475034,9.383106553,0.848102557,0.68269578,6.440146731,0.707677185,0.19944359,0.876536308,0.096318418,0.581432789,0.465595098,0.230988769,7.347267506,5.983132572,14.2393732,0.814804461,1.278016655,5.903741696,0.499034231,0.140191516,0.902303389,0.076270322,0.48847571,0.23199513,0.114128515,6.542967444,3.843784064,10.79977944,0.853455083,0.834599355,6.846108158,0.72301669,0.227271127,0.87811191,0.092737297,0.657015646,0.486163608,0.299943346,7.796395976,6.670094,15.59144807,0.817167864,1.443122599,6.489066174,0.710607228,0.202083647,0.876692673,0.096005208,0.590451869,0.468541819,0.237144492,7.40175705,6.066113589,14.39971417,0.81503901,1.29613818 +UMLYSI0341,L,"1,1-diethoxypropane",CCC(OCC)OCC,other multi-oxygen compounds,C7H16O2,8/5/4744,20858,PubChem,,27.3,0,0.2927,0.08567329,35.207,24.592688,0,0,25,9,16,0,7,0,2,0,0,0,0,0,0,0,1538.041873,1539.425848,1784.298624,1648.37452,1467.744359,978.613444,439.069849,103.124448,9.144576,3894.739777,4740.771477,5628.205302,5494.162974,5596.551892,5375.000606,3818.067306,1620.932031,279.7536999,186.982468,184.179712,341.674752,370.55488,313.393388,351.870736,352.245412,244.259712,60.466176,27.92251448,34.32966896,42.95502435,41.88834106,42.89985915,47.31385202,39.73603616,20.01965301,4.001516144,4217.145497,3570.511501,7265.531011,8201.972023,6536.885532,7882.071358,8673.184662,6466.264847,1664.258868,61.02777778,59.16666667,106.0833333,103.6666667,94.25,89,73,42,9,61.52167492,64.14274367,40.55224145,34.34113583,36.69360897,20.38778008,8.609212725,2.864568,1.016064,155.7895911,197.5321449,127.9137569,114.4617286,139.9137973,111.9791793,74.86406482,45.02588975,31.08374443,7.47929872,7.674154667,7.765335273,7.719893333,7.8348347,7.330640333,6.906772784,6.784992,6.718464,1.116900579,1.430402873,0.976250554,0.872673772,1.072496479,0.98570525,0.779137964,0.556101472,0.444612905,168.6858199,148.7713126,165.1257048,170.8744171,163.4221383,164.20982,170.0624444,179.618468,184.917652,2.441111111,2.465277778,2.410984848,2.159722222,2.35625,1.854166667,1.431372549,1.166666667,1,0.313600893,-0.134208714,0.033735341,-0.025190889,-0.054101746,-0.026708544,0.022496058,0.021401499,0.005776547,838.9365446,8.424575386,-34.82903969,89.02300149,-420.5967575,-528.3962627,-74.90305171,376.9344176,164.8748449,1134.674563,-219.6846938,-235.3027314,357.5727712,-239.9190599,-570.2590187,-310.341587,431.6767717,218.9202665,2.01158784,0.046398874,0.390448922,-0.801757133,-1.082677024,-0.565024653,0.386961126,0.47221559,0.147640378,4.95409783,-1.741372494,-1.343103384,1.662446014,0.039793591,-1.491082146,-1.677211458,1.307604712,0.765876251,27.60529256,-10.78509736,-7.618089049,8.74267695,1.700821411,-6.447071977,-9.428435285,6.19355758,3.838991448,12.49333333,-1.991377778,2.475066667,-2.393866667,-5.048222222,-4.520533333,0.630266667,3.2096,1.3924,0.012544036,-0.00559203,7.67E-04,-5.25E-04,-0.001352544,-5.56E-04,4.41E-04,5.94E-04,6.42E-04,33.55746179,0.351023974,-0.791569084,1.854645864,-10.51491894,-11.00825547,-1.468687288,10.47040049,18.31942721,45.38698252,-9.153528909,-5.347789349,7.449432732,-5.997976497,-11.88039622,-6.085129158,11.99102144,24.32447406,0.080463514,0.001933286,0.008873839,-0.016703274,-0.027066926,-0.011771347,0.007587473,0.0131171,0.016404486,0.198163913,-0.072557187,-0.030525077,0.034634292,9.95E-04,-0.031064211,-0.032886499,0.036322353,0.085097361,1.104211702,-0.449379056,-0.173138387,0.182139103,0.042520535,-0.134314,-0.18487128,0.172043266,0.426554605,0.499733333,-0.082974074,0.056251515,-0.049872222,-0.126205556,-0.094177778,0.01235817,0.089155556,0.154711111,-0.445791917,0.061121661,-0.041837427,-0.107823644,-0.044357973,0.035164056,0.047391933,0.051166832,0.010460385,-0.023588467,0.055267764,-0.313340711,-0.328041958,-0.04376634,0.312014078,0.545912183,-0.201677406,-0.117826501,0.164131483,-0.132151912,-0.26175779,-0.134072124,0.264195167,0.535935035,0.02402687,0.110284012,-0.207588171,-0.336387567,-0.14629422,0.094297064,0.163019226,0.203874845,-0.366147328,-0.154039534,0.174775979,0.005020287,-0.156760183,-0.165956044,0.183294488,0.429429152,-0.406968207,-0.156798182,0.164949441,0.038507593,-0.121637906,-0.167423765,0.155806414,0.386297849,-0.166036701,0.112563064,-0.09979767,-0.252545802,-0.188456065,0.024729529,0.178406261,0.309587335,1.498122662,1.455338812,1.724392979,1.828334856,0.78939715,0.093076538,0.040775681,0,1.192386202,1.167447238,1.049417116,1.507682054,1.267665811,0.747010771,0.288617798,0,1.647976184,1.127461049,0.710234798,1.19119844,1.300756551,1.027048171,0.396814066,0,0.914032171,1.422459475,1.841015305,1.984525418,0.911748403,0.061028991,0.023579383,0,1.929360825,1.169225932,0.669180779,1.077438103,1.22443426,1.05159928,0.406299722,0,1.987056342,1.19189274,0.69650513,1.071451251,1.188252315,1.025140838,0.396077142,0,1.151725365,1.292810711,1.564167556,1.74493063,1.000533618,0.329587545,0.160085379,0,39.77616564,20.13808282,27.96835248,40.16505453,4.462783837,20.13808283,0.5,1.11E-16,1.23E-17,-33.06312051,4000011.092,444445.6768,13.68162692,39.79831108,20.14842112,27.98530542,40.18605754,4.465117505,20.14842113,0.498531158,3.33E-16,3.70E-17,-32.07436945,4000011.09,444445.6767,13.68162692,59.59689323,29.39945214,43.15301429,58.97623515,6.552915017,29.39945214,-0.797988956,1.11E-16,1.23E-17,-33.06312051,4000010.425,444445.6027,13.68162677,39.82155382,20.15927171,28.0030985,40.20810129,4.46756681,20.15927172,0.4969896,2.22E-16,2.47E-17,-32.43928805,4000011.088,444445.6765,13.68162692,80.76087252,39.298142,59.35168239,79.07730367,8.786367074,39.298142,-2.164588529,3.33E-16,3.70E-17,-32.07436945,4000010.219,444445.5799,13.68162673,42.09862786,21.22244812,29.74680193,42.36794771,4.707549745,21.22244812,0.346268372,2.22E-16,2.47E-17,-32.43928805,4000010.944,444445.6604,13.68162689,37.00151044,18.92550012,25.66338199,37.66222472,4.184691636,18.92550014,0.849489796,0.218770157,0.024307795,-1.367760251,45.09810418,5.010900465,3.427956189,0,11.89,15.99591816,-0.353646393,0.157346606,4.819126879,7.325505771,8,24,24,24,8,0,0,0,0,0,21.323312,3.498609472,3.112825407,3.014735361,2.49270908,1.975256377,1.771019973,1.386476426,0.897044263,1.775187644,1.632588974,1.613147984,1.113956736,0.852661958,0.82994013,0.550610729,0.083923071,3.400218343,3.095608481,3.04604198,2.457855396,1.92206946,1.831565505,1.457735001,0.571606491,1.774314942,1.574497861,1.534930724,1.078580516,0.758159662,0.707173563,0.432446272,0.270913902,3.610082544,3.310038789,3.242439542,2.754902477,2.317180522,2.207309581,1.888906856,1.198553499,1.532013725,1.303011727,1.269508958,0.714833889,0.304261446,0.256366273,0.065753756,0.943918427,3.388118789,3.11170699,3.073729881,2.466735586,1.950962728,1.886582759,1.519755973,0.453507526,1.777741114,1.538148249,1.483188127,1.047614943,0.699234984,0.623833505,0.348524524,0.399277246,3.636997348,3.38071793,3.32907616,2.839205707,2.438300471,2.362293181,2.058573594,1.208805609,1.493987288,1.230365333,1.187565502,0.63112675,0.172782958,0.105413696,0.231415145,1.207644823,3.722496101,3.340418861,3.180665965,2.795241443,2.417445198,2.037365927,1.677553226,1.427188843,1.602691489,1.379110875,1.362788001,0.80724377,0.481998364,0.467110539,0.189818202,0.591549296,0,0,0,0,0,6,1,0,0,0,0,0,0,0,0,0,0,0,0,0.204124145,0,0,0,0.068041382,0,0,0,0.49279928,0.679412342,0.49279928,0.164266427,0.226470781,0.164266427,7.112884175,4.346065215,2.851623963,1.971197119,1.369082439,0.696923425,0.144337567,0,0.790320464,0.543258152,0.356452995,0.24639964,0.195583206,0.174230856,0.144337567,0,6.515167194,3.578323424,1.748490271,1.038451691,0.655599807,0.331927305,0.048112522,0,0.723907466,0.447290428,0.218561284,0.129806461,0.093657115,0.082981826,0.048112522,0,12.76422064,24.76402039,23.50196078,23.88,14.34891497,193.792388,0.510568826,0.990560816,0.940078431,0.9552,0.573956599,7.751695521,1.7955,37.331,23.67989321,33.77772789,47.35978643,5.262198492,23.67989321,1.11E-16,1.23E-17,-33.06312051,4000010.71,444445.6344,13.68162684,70,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,3,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.174444444,0,0,0,0,0,0,0,0,0,0,0,5.999351852,0,2.401481481,0,0,0,0.013888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.209305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.325,0,0,0,0,0,0,0,0,0,0,0,1.973888889,0,0.73462963,0,0,0,0.013888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.209305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.209305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.7,0,0,0,0,0,0,0,0,0,0,0,2.051574074,0,0.932222222,0,0,0,0.013888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.209305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.83333333,2.092592593,0.7,5.209305556,0.112777778,0.013888889,3.755136852,1.319444444,1.709305556,6.94037037,1.319444444,1.709305556,6.94037037,4.16666,0.46296,0,0.03704,0.50533,0.87037,0.42414,0.50533,0.87037,0.0812,0,-0.0812,0,0.53191,0.18238,0,0.36,0.12,0,5,0.55556,5,0.55556,0,0,-5,-0.55556,0,0,7.84496,0.87166,10.05822,2.21326,0.24592,3.39326,0.37703,4.34606,0.9528,0.10587,0.06794,0.00755,0.06794,0.00755,0,8.02,2,2,2,2,0,0,1,1.217796812,1.73366069,2.862683189,3.19326969,3.19326969,3.007515442,30.44492029,43.34151724,71.56707973,79.83174224,79.83174224,75.18788605,0.26223827,0.373323509,0.616445271,0.687633199,0.687633199,0.647633199,3.426059378,2.9101955,1.781173001,1.4505865,1.4505865,1.636340748,0.265606711,0.378118837,0.62436349,0.696465825,0.696465825,0.655952026,11.24859016,17.43895669,19.78810205,20.1212754,20.1212754,17.89222443,32.85447821,23.59158659,22.24029251,21.5307641,21.5307641,20.41623862,9,6.125,4.5,9,0,3,2.01,1.2123,0.564621617,3.398862717,1.144714243,0,0.908560296,1.889881575,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0.003,0.525,0.536,0.458,0.053,3.759,8,8,7,4,1,0,0,0,0,45,2.197224577,2.197224577,2.197224577,2.079441542,1.609437912,0.693147181,0,0,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.625,8,1,0,3,6,1,1.5,0.666666667,0.375,0.24,0.055555556,0,0,0,0,0,0.1875,0.083333333,0.046875,0.034285714,0.013888889,0,0,0,0,0,0.365882937,23.67989321,33.77772789,47.35978643,5.262198492,23.67989321,1.11E-16,1.23E-17,-33.06312051,4000010.71,444445.6344,13.68162684,18.46,147.2088045,4.169925001,3.496507561,4.17438727,4.890349128,5.59471138,6.318968114,7.029087564,7.754910272,8.466531277,9.192685437,73.918138,2.833213344,0,3.891820298,0,5.153291594,0,6.51174533,0,7.914617709,8.203577737,132.1150298,5.28460119,16.66611844,1.851790938,5.710490086,5.710490086,0,102,8,1.631,32,1.2295,2.08948005,2.818705437,3.50633343,4.140929804,4.811714529,5.811452638,7.512021467,0,0,90.50482077,93.00231746,107.1348579,144.5117995,96.92712454,49.61627142,19.19212076,7.63269458,0,0,263.3750699,283.8439323,342.0127427,520.8167497,498.1823962,394.5159695,280.8598569,233.5017554,0,0,9.539901483,16.34023039,21.92848064,27.65186138,30.67135275,33.35507318,39.52224818,50.46924579,0,0,1.847124775,2.123519828,2.545162155,3.904430392,4.265738908,3.99148409,3.385242717,3.339941686,0,0,181.6327889,342.221526,479.6164003,569.1266584,675.8388566,808.8956728,1036.548879,1389.105372,0,0,3.170597222,5.224806647,6.325281985,8.608873874,8.051437037,7.151411076,7.009476639,7.512021467,0,0,0.43302125,0.534837783,0.650786324,0.947334934,0.964618338,0.870734563,0.759940853,0.769230998,0,0,336.9917063,287.5342528,12.10690879,139.8144703,-119.2950702,-15.24960915,197.177236,406.8293229,27.35651794,0.706768752,0.603042215,0.025391678,0.293231248,-0.250196151,-0.031982826,160.679727,137.0981077,5.772648891,66.66440301,-56.88062628,-7.271107833,0.184309479,0.413303488,0.52166561,6.426646096,445.0807213,31.72545522,0.933462575,0.066537425,639.0458722,25.27935664,8.613454118,794.0384495,28.17868786,9.260060928,1150.672672,33.92156648,10.47893789,1.804914489,1.804914489,693.8138611,598.8890003,156.7192741,1.158501593,4.427112523,3.821412545,4.374506555,4.23432431,8.268098663,0.952637082,4.463742876,6.090336983,6.527523866,13.64413092,9.486250439,7.928817128,4.3136628,13.62279977,4.241864725,3.808070961,8.504516557,7.120547297,0.917223982,3.918293037,1.341257501,0.009235738,1.09E-23,2.47E-66,1.08E-130,9.17E-217,0,0,0,0,0,0,0,0,0,0,0.374508957,5.8479305,0.82800194,5.542311623,0.303686065,3.626194477,0.949269058,4.171210787,0.177464141,0.250459264,0.336371488,0.283233994,0.109474983,0.328694911,0.009446586,6.50E-05,7.67E-26,1.74E-68,7.64E-133,6.46E-219,0,0,0,0,0,0,0,0,0,0,1.20902675,4.968451662,1.334920103,5.713860127,1.038540944,3.514392127,1.400459237,4.317068054,0.671755785,0.808102168,1.32708005,1.121436146,0.1634503,1.061159669,0.098440712,6.78E-04,7.99E-25,1.82E-67,7.96E-132,6.73E-218,0,0,0,0,0,0,0,0,0,0,4.213338703,6.519560918,7.624300564,13.99813531,9.11248879,7.978555388,4.027979495,13.44933891,3.917671468,3.530724928,7.765115568,6.504768332,0.828540192,3.698452414,1.195036286,0.008228877,9.70E-24,2.20E-66,9.66E-131,8.17E-217,0,0,0,0,0,0,0,0,0,0,1.781951112,4.680356149,1.515846646,6.254387546,1.731366548,3.75089879,1.77921186,4.991812424,1.099672889,1.240931538,2.208062211,1.862350901,0.2334322,1.564047621,0.213826381,0.001472383,1.74E-24,3.94E-67,1.73E-131,1.46E-217,0,0,0,0,0,0,0,0,0,0,5.3909504,6.731275619,9.194445626,16.68153635,13.67021631,9.812668949,5.480346624,17.51371881,5.748208359,4.902945806,11.51395297,9.624409455,1.290127374,4.732363831,1.956098011,0.013469457,1.59E-23,3.61E-66,1.58E-130,1.34E-216,0,0,0,0,0,0,0,0,0,0,2.765682514,6.617563624,6.929585747,11.69009624,4.934800898,7.131834076,2.691889568,10.74056961,1.974704838,2.205771344,4.216958553,3.331080437,0.429875969,2.741622557,0.469347001,0.003231867,3.81E-24,8.66E-67,3.79E-131,3.21E-217,0,0,0,0,0,0,0,0,0,0,5.929228968,1.474352834,0.671405551,0.734270991,0.18258268,0.515290401,0.498527808,0.426929465,8.074987352,13.71258145,27.65684542,0.601406487,1.440747674,4.30379197,0.987514444,0.235348994,0.778733547,0.178682109,0.271361058,0.224996311,0.05057859,5.526655408,5.495360379,12.02226237,0.668100321,0.546935959,5.22049343,1.205464406,0.426069689,0.761890318,0.175928132,0.399378443,0.333789531,0.170714521,6.852027525,9.031024867,18.56435965,0.642835477,0.903882495,5.766515771,1.441513895,0.644498727,0.73435147,0.183573216,0.487374371,0.476841473,0.392441267,7.852528393,12.95807855,26.16801074,0.601527206,1.356657111,5.597385691,1.308008691,0.515723491,0.754251015,0.176254941,0.459179375,0.392498586,0.251619638,7.421117873,10.88270323,22.07965409,0.631376523,1.1032976,5.976716994,1.501447092,0.697023478,0.731080106,0.183659039,0.523584985,0.517011997,0.460145245,8.175187564,14.1861803,28.61626442,0.596620159,1.500742228,5.861054263,1.457878466,0.655040539,0.735023064,0.182829615,0.503496718,0.487576989,0.405935667,7.973973268,13.33890244,26.91000375,0.602534596,1.397009374 +UMLYSI0342,L,hexanal,CCCCCC=O,saturated aldehyde,C6H12O,66-25-1,6184,PubChem,,26.7,0,-0.9703,0.94148209,25.4766,19.363516,0,0,19,7,12,0,6,0,1,0,0,0,0,0,0,0,1133.745495,1058.76965,1034.601673,871.245024,674.488295,477.731566,280.974837,51.429168,0,3130.497121,3797.153407,4591.129278,4194.768219,3187.969874,2181.171529,1174.373184,339.2921252,0,139.21638,133.148048,239.049004,299.84916,236.96426,174.07936,111.19446,48.568896,0,22.71195886,28.64637172,38.41288452,37.48454303,28.46301417,19.44148531,10.41995645,2.938142673,0,3165.229247,2624.785681,5202.579548,7052.408754,5573.453599,4094.498444,2615.543289,1110.305786,0,78,46.75,67,78.75,66.5,54.5,44,24,0,59.67081553,58.82053611,31.35156585,20.74392914,20.43903924,19.90548192,18.7316558,8.571528,0,164.7630063,210.9529671,139.1251296,99.87543379,96.6051477,90.88214705,78.29154562,56.54868753,0,7.327177895,7.397113778,7.243909212,7.139265714,7.180735152,7.253306667,7.412964,8.094816,0,1.195366256,1.591465096,1.164026804,0.89248912,0.862515581,0.810061888,0.694663763,0.489690445,0,166.591013,145.8214267,157.6539257,167.9144941,168.8925333,170.6041018,174.3695526,185.0509644,0,4.105263158,2.597222222,2.03030303,1.875,2.015151515,2.270833333,2.933333333,4,0,0.13745062,-0.027096258,-0.040096519,-0.004428519,-9.99E-04,0.002123037,0.015515348,-0.013743222,0,605.7336044,-45.41908671,-239.1993127,20.90199507,17.70542748,14.50885989,11.3122923,-82.67697755,0,916.6964704,-95.75164029,-429.829637,12.34700524,11.92103639,11.49506753,11.06909867,20.40083426,0,1.062550737,-0.002447645,-0.069866648,-0.009675524,-0.035140964,-0.060606404,-0.086071845,-0.267466338,0,4.063287563,-0.461433045,-1.887549767,-0.043719051,-0.044708272,-0.045697494,-0.046686716,0.498150564,0,22.47243353,-2.562605463,-10.20413437,-0.419819918,-0.435735255,-0.451650591,-0.467565927,3.305294755,0,33.73684211,1.683518006,-1.885041551,-1.220914127,-2.385041551,-3.299168975,-1.950138504,-7.811634349,0,0.007234243,-0.001505348,-0.001215046,-1.05E-04,-3.03E-05,8.85E-05,0.001034357,-0.002290537,0,31.88071602,-2.523282595,-7.248464021,0.497666549,0.536528105,0.604535829,0.75415282,-13.77949626,0,48.24718265,-5.319535572,-13.02514051,0.293976315,0.361243527,0.478961147,0.737939911,3.400139043,0,0.055923723,-1.36E-04,-0.002117171,-2.30E-04,-0.001064878,-0.002525267,-0.005738123,-0.044577723,0,0.21385724,-0.025635169,-0.057198478,-0.00104093,-0.001354796,-0.001904062,-0.003112448,0.083025094,0,1.18275966,-0.14236697,-0.309216193,-0.009995712,-0.013204099,-0.018818775,-0.031171062,0.550882459,0,1.775623269,0.093528778,-0.057122471,-0.029069384,-0.072273986,-0.137465374,-0.130009234,-1.301939058,0,-0.208086409,-0.167957589,-0.014575255,-0.004185378,0.012227937,0.142980611,-0.316624279,0,-0.079147614,-0.227362021,0.015610269,0.016829236,0.018962429,0.023655454,-0.432220413,0,-0.11025588,-0.269966862,0.006093129,0.00748735,0.009927236,0.015294985,0.070473318,0,-0.002431532,-0.037858194,-0.004119354,-0.01904161,-0.045155557,-0.102606241,-0.797116512,0,-0.119870476,-0.26746103,-0.004867405,-0.006335049,-0.008903427,-0.014553857,0.388226716,0,-0.12036847,-0.261436202,-0.008451178,-0.011163805,-0.015910903,-0.026354519,0.465760271,0,0.052673774,-0.032170378,-0.016371369,-0.040703446,-0.077418097,-0.073218929,-0.733229329,0,0.936940929,0.822439424,0.70391969,0.830796938,1.060058158,1.49534116,3.690353858,0,1.212328523,1.19852615,0.849885789,0.863636364,0.88769987,0.940639583,1.669521646,0,1.492302918,1.374632921,0.889073335,0.863636364,0.819121664,0.721189326,0.409636868,0,0.521883785,0.622848033,0.69770275,0.863636364,1.154020187,1.792864598,4.776522969,0,1.578834284,1.402817768,0.890874736,0.863636364,0.815969213,0.711101481,0.020245724,0,1.583316226,1.394406858,0.887090241,0.863636364,0.822592078,0.732294648,7.70E-05,0,0.466848674,0.604275989,0.69709717,0.87913062,1.192131435,1.79625585,4.801872075,0,30.66635937,15.45817969,25.20930939,30.8449308,4.406418686,15.45818031,0.25,0.077516908,0.011073844,-1.790081441,33.09271029,4.727530042,2.449519118,30.66820347,15.45873452,25.21016781,30.84625031,4.406607187,15.45873515,0.249265579,0.077480086,0.011068584,-1.79041403,33.10080465,4.728686379,2.449690314,32.30187122,15.95143837,26.00163378,32.01687516,4.573839309,15.95143871,-0.398994478,0.043183776,0.006169111,-2.199603288,49.06657445,7.009510636,2.725224627,30.67013887,15.45931684,25.21106882,30.84763516,4.406805023,15.45931746,0.2484948,0.077441437,0.011063062,-1.7907633,33.10931008,4.729901441,2.44987016,34.03475027,16.476228,26.91726756,33.26168294,4.751668992,16.4762282,-1.082294264,0.00336252,4.80E-04,-3.986545122,48.17441664,6.882059519,2.712379673,30.85945408,15.51629413,25.29960045,30.98312135,4.426160193,15.51629471,0.173134186,0.073638123,0.010519732,-1.826014685,33.99567496,4.856524994,2.468363317,34.02470943,16.9713568,28.09805989,34.303621,4.900517285,16.97135696,0.650793651,0.118221532,0.01688879,-1.494636515,25.76009838,3.680014054,2.274178704,0,11.98869867,16.0059247,-0.38946195,0.206335828,3.408183322,6.773408126,6,18,17,17,5,1,1,0,0,1,14.076484,3.483874519,3.175557372,2.661510115,2.053284259,1.511277733,1.1678784,0.495488044,0.083923071,1.874525775,1.600358253,1.222743996,0.866762908,0.630598604,0.518313509,0.083923071,0.083923071,3.482979943,3.141526222,2.628345205,2.054930445,1.570111449,1.277953056,0.412465662,0.270913902,1.820871206,1.553797229,1.172846931,0.791081154,0.516795687,0.372637258,0.270913902,0.270913902,3.623778126,3.332374413,2.883800511,2.388165193,1.987541398,1.758341221,1.060233618,0.943918427,1.63043542,1.310551219,0.853944362,0.383004025,0.027638248,0.165512138,0.943918427,0.943918427,3.49835903,3.149485054,2.637985133,2.081869545,1.626641405,1.360241935,0.424103116,0.399277246,1.788883827,1.528030858,1.141683416,0.73795985,0.435152837,0.271071435,0.399277246,0.399277246,3.677436569,3.386549842,2.957624506,2.502699167,2.15129627,1.956841596,1.208173581,1.207644823,1.576524276,1.252155786,0.777911006,0.270435538,0.131869292,0.359790794,1.207644823,1.207644823,4.92067069,3.438106706,3.017724791,2.425417246,1.877064749,1.526191573,1.304724852,0.6,1.747446814,1.356341908,0.881041144,0.465361466,0.193506921,0.066202354,0.6,0.6,0,0,1,0,0,1,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,4.814025684,2.851057332,1.662448582,0.925528666,0.477670901,0.203263132,0.058925565,0,0.687717955,0.475176222,0.332489716,0.231382167,0.159223634,0.101631566,0.058925565,0,9.965765927,18.6576839,17.70196078,17.96,11.27156647,146.3240515,0.524513996,0.981983363,0.931682147,0.945263158,0.59324034,7.701265868,1.7656,30.206,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,5,1,0,1,0,0,0,0,0,0,0,0,1,0,4,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.679679705,0.981805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.577152778,0,0,1.450093537,0.401388889,0,0.577152778,0,0,0,0,0,0,0,0,2.129764739,0,4.20875,0,0.981805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.679679705,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.679679705,0.981805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.577152778,0,0,0.232454649,0.401388889,0,0.577152778,0,0,0,0,0,0,0,0,2.129764739,0,0.743888889,0,0.981805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.679679705,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.679679705,0.981805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.577152778,0,0,0.401388889,0.401388889,0,0.577152778,0,0,0,0,0,0,0,0,2.129764739,0,1.202222222,0,0.981805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.679679705,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17,2.428571429,0.672753685,9.679679705,0.232454649,0.743888889,3.223581423,1.018194444,2.679679705,5.618888889,1.018194444,2.679679705,5.618888889,3.33333,0.47619,0,0.02381,0.48772,0.80952,0.42174,0.48772,0.80952,0.06598,0,-0.06598,0,0.58823,0.12606,0,0.25,0,0,4.75,0.67857,3.25,0.46429,1.5,0.21429,-1.75,-0.25,0,0,4.93079,0.7044,6.60412,1.67333,0.23905,2.67274,0.38182,3.41421,0.74147,0.10592,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6.01,1,1,1,1,0,0,0.833333333,1.167436723,1.994841445,2.970840013,3.155565013,2.752855305,2.873954066,22.18129774,37.90198745,56.44596025,59.95573525,52.3042508,54.60512725,0.27482501,0.469603457,0.699362219,0.742848131,0.648046676,0.676554404,3.08049079,2.253086069,1.2770875,1.0923625,1.495072208,1.373973447,0.27482501,0.469603457,0.699362219,0.742848131,0.648046676,0.676554404,10.29981851,17.35578218,19.93321825,16.64817559,18.11972752,16.07749128,25.71846446,18.62642931,16.57668442,20.04952865,18.68766477,11.96351177,7,6,6,7,1,6,2.01,0.9697,0,1.919259748,0,0,5.676240019,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.423,0.415,0.622,0.171,3.411,5,4,3,2,1,0,0,0,0,28,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.666666667,5,0.833333333,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,17.07,118.4861345,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,100.088815,5.267832369,12.83378878,1.833398397,2.401269389,2.401269389,0,56,4,2.294,22,1.231388889,2.133782681,2.862002384,3.585544503,4.930537131,5.906045025,7.240864959,0,0,0,82.79933054,74.50034559,72.02635759,95.05466416,116.1646502,131.3471524,65.48083672,0,0,0,284.2928587,316.8490233,313.8345045,407.7211789,489.660428,505.1349204,420.9732166,0,0,0,9.138860388,15.51263468,20.51472812,26.06793509,36.02231808,44.2825571,59.23566993,0,0,0,2.093824968,2.602155111,2.703016463,3.463453935,4.218856216,4.310074338,3.56616036,0,0,0,177.4504105,333.0583105,477.327526,592.8580886,833.9716236,1021.208382,1339.989309,0,0,0,3.252680556,4.457454576,5.589986744,7.984075297,11.92116751,18.98703197,30.3196545,0,0,0,0.447824583,0.5710123,0.60882215,0.792967707,1.000251539,1.115336809,1.13534258,0,0,0,291.6947508,152.8666788,11.89438393,88.56112057,-46.41168323,-18.17524743,203.1336302,199.2783621,30.06963136,0.767101241,0.402010042,0.031279948,0.232898759,-0.122053824,-0.047797414,110.9186416,58.12845215,4.522909324,33.67588607,-17.64831505,-6.911244547,0.228377758,0.577871264,6.191032708,30.31401046,327.7978026,52.45806869,0.862045342,0.137954658,443.1383103,21.05085058,7.623945197,559.3827433,23.65127361,8.239541045,647.3986509,25.44402977,8.650819756,2.561966518,2.561966518,657.4444947,638.5427366,35.58953894,1.029601399,18.47297027,17.94186594,3.932381963,4.466158665,7.960230279,0.782343816,3.360021677,4.786261718,2.642514928,17.43188566,7.934864212,0.42065377,2.944371824,6.122961232,7.418597015,0.470542439,1.871844787,1.195185001,1.722350512,0.050409686,1.707421114,4.44E-13,2.23E-47,2.16E-103,4.03E-181,1.45E-280,0,0,0,0,0,0,0,0,0,0,0.298477101,4.78609802,0.225307666,4.278271235,0.057772501,0.465275734,0.381718801,0.180300701,2.169388689,0.021849036,0.710674082,0.024948081,0.047277755,0.067136773,0.190869126,4.97E-14,2.49E-48,2.42E-104,4.51E-182,1.62E-281,0,0,0,0,0,0,0,0,0,0,0.916142542,4.785991514,0.579504305,5.138094477,0.586926481,0.254861272,0.89052447,0.801807945,2.838222596,0.082155069,0.483077156,0.127436322,0.204512467,0.036028361,0.330640416,8.61E-14,4.32E-48,4.18E-104,7.81E-182,2.81E-281,0,0,0,0,0,0,0,0,0,0,3.176697216,4.786302215,2.783051601,16.12254355,7.071700148,0.528207513,2.832017153,5.549899606,7.611029681,0.432007266,1.904365998,1.075615253,1.582655751,0.067077658,2.144584299,5.58E-13,2.80E-47,2.71E-103,5.07E-181,1.83E-280,0,0,0,0,0,0,0,0,0,0,1.34265012,4.785965099,0.778345885,6.276776218,1.270297408,0.179257987,1.23147421,1.404086807,3.265937134,0.1328415,0.477130012,0.238205125,0.360142422,0.024206267,0.327395801,8.52E-14,4.28E-48,4.14E-104,7.74E-182,2.79E-281,0,0,0,0,0,0,0,0,0,0,4.057735794,4.786408351,3.515639436,23.35705702,11.56678071,0.526371924,3.562459978,8.482354842,9.387884334,0.625786003,2.589578637,1.693941658,2.425363278,0.06096691,2.493703614,6.49E-13,3.26E-47,3.16E-103,5.89E-181,2.12E-280,0,0,0,0,0,0,0,0,0,0,2.074687767,4.401517048,3.361605025,9.607712813,2.864960131,1.344514129,2.115499454,2.525440409,8.805224722,0.212791503,2.503222388,0.503463969,0.920705392,0.254043362,4.302701208,1.12E-12,5.62E-47,5.44E-103,1.02E-180,3.66E-280,0,0,0,0,0,0,0,0,0,0,5.466905129,0.781773113,0.435742429,0.817857732,0.116954505,0.518085614,0.588328416,0.526302697,6.684420671,6.996693675,15.54342495,0.726786598,1.632716728,6.866200893,0.272329567,0.083319246,0.950753778,0.037709116,0.820602181,0.068977373,0.019242724,7.221849706,2.464646489,9.842292313,0.926130667,0.908822278,5.651086985,0.484782006,0.225062977,0.888405506,0.076212418,0.554359399,0.223620958,0.140405466,6.360931968,4.120502228,11.09800441,0.832608259,0.918385823,5.729686288,0.756156023,0.418851605,0.829824806,0.10951333,0.569336362,0.548455702,0.486291036,6.904693917,7.049142262,15.76852617,0.744737209,1.6040831,5.25937004,0.583875177,0.293274117,0.857060779,0.095147615,0.479692142,0.327083173,0.238409396,6.136519334,4.784488195,11.82159827,0.785591168,1.045184711,5.522678337,0.816315654,0.460723588,0.812192311,0.120051406,0.528690132,0.64166657,0.588378494,6.799717579,7.428772834,16.30554697,0.718288467,1.758735197,5.79577957,0.75461003,0.418359087,0.83168153,0.108284868,0.582553059,0.546168354,0.485148072,6.968748688,7.113968413,15.91243291,0.747522295,1.613869485 +UMLYSI0343,L,methyl hexanoate,CCCCCC(=O)OC,saturated esters,C7H14O2,106-70-7,7824,PubChem,,26.7,0,-0.7667,0.58782889,31.1711,23.259102,0,0,23,9,14,0,7,0,2,0,0,0,0,0,0,0,1536.009745,1467.311804,1650.192872,1454.273155,1137.947589,898.906268,702.149539,307.657897,78.738912,3832.572288,4632.085644,5676.308337,5555.07713,4721.063408,3654.726637,2647.928293,1675.784234,874.9221648,173.54554,167.45108,301.955216,347.198116,316.9281,265.94048,203.05558,140.266468,83.016576,27.03328867,33.55214034,44.4741589,45.35952181,38.83004553,30.87189014,21.85036128,14.2329069,9.348943289,3847.310193,3237.717434,6440.16748,7792.668112,7022.167554,6097.165481,4618.210326,3113.018667,2028.241198,95.02777778,60.75,103.9166667,108.3333333,106.5833333,79.41666667,70.5,50,18,66.78303239,66.69599109,41.2548218,30.94198202,27.09399021,24.96961856,26.00553848,17.09210539,6.561576,166.6335777,210.5493475,141.9077084,118.1931304,112.4062716,101.5201844,98.07141824,93.09912411,72.9101804,7.545458261,7.611412727,7.5488804,7.387193957,7.545907143,7.387235556,7.520577037,7.792581556,6.918048,1.175360377,1.525097288,1.111853972,0.965096209,0.924524894,0.857552504,0.80927264,0.79071705,0.779078607,167.2743562,147.1689743,161.004187,165.8014492,167.1944656,169.3657078,171.0448269,172.9454815,169.0200999,4.131642512,2.761363636,2.597916667,2.304964539,2.537698413,2.206018519,2.611111111,2.777777778,1.5,0.273068304,-0.153941587,0.031960938,0.013730048,-0.037960813,0.008298328,0.030620113,-0.041394299,0.001113403,799.1117029,-15.00476101,-49.35780647,23.67823622,-254.0922898,11.34199864,2.616396371,-266.1244476,-47.4085995,1081.795272,-149.5950004,-203.5400037,-13.0093392,-214.6578949,17.30891135,16.14615326,-114.450751,-137.7484193,1.975925913,0.013204083,0.649213369,-0.160249301,-0.632921059,-0.200742473,-0.270254941,-0.664586888,0.103940915,4.769103567,-1.066326256,-0.81783724,-0.366923567,-0.506944012,-0.079408475,-0.082108732,0.332236199,-0.702102946,26.67799994,-6.490143964,-3.956324616,-2.622008924,-2.235773579,-0.809084441,-0.852528195,3.00277212,-3.911578793,38.15700483,0.358275572,9.933469859,-1.101029196,-14.42800882,-4.539224953,-1.901701323,-10.84751103,0.497794581,0.011872535,-0.006997345,7.99E-04,2.92E-04,-9.04E-04,2.31E-04,0.001134078,-0.002299683,9.28E-05,34.74398708,-0.682034591,-1.233945162,0.50379226,-6.049816423,0.315055518,0.096903569,-14.78469154,-3.950716625,47.03457702,-6.799772747,-5.088500091,-0.276794451,-5.110902259,0.480803093,0.598005676,-6.358375055,-11.47903494,0.085909822,6.00E-04,0.016230334,-0.00340956,-0.015069549,-0.00557618,-0.010009442,-0.036921494,0.008661743,0.207352329,-0.048469375,-0.020445931,-0.007806884,-0.012070096,-0.002205791,-0.003041064,0.018457567,-0.058508579,1.159913041,-0.295006544,-0.098908115,-0.055787424,-0.053232704,-0.022474568,-0.031575118,0.166820673,-0.325964899,1.65900021,0.016285253,0.248336746,-0.023426153,-0.34352402,-0.126089582,-0.070433382,-0.602639502,0.041482882,-0.589372436,0.067300155,0.024605418,-0.076127708,0.019415324,0.095521156,-0.19369775,0.007814979,-0.019630291,-0.035515359,0.014500128,-0.174125566,0.009067915,0.002789075,-0.425532381,-0.113709363,-0.144569659,-0.108186369,-0.005884914,-0.10866266,0.010222333,0.012714171,-0.135185122,-0.244055239,0.006986228,0.188922917,-0.039687657,-0.175411246,-0.06490736,-0.116511035,-0.429770343,0.100823662,-0.233753706,-0.098604781,-0.037650334,-0.058210562,-0.010637889,-0.014666168,0.089015478,-0.282169866,-0.254335052,-0.085272009,-0.048096212,-0.045893703,-0.01937608,-0.02722197,0.143821707,-0.281025291,0.009816306,0.149690606,-0.014120645,-0.207066893,-0.076003355,-0.042455319,-0.363254626,0.025004748,1.584109521,0.984943229,0.925312729,1.065572511,0.897535693,1.095157547,1.464213124,0.161558657,1.090358552,1.034548099,0.915485414,1.160864139,0.911384472,0.968289213,1.494076747,0.833254033,1.504503624,1.16850344,0.971271864,1.030160034,0.876792745,0.829922305,0.918715983,1.144579577,0.709899086,0.76310685,0.87788863,1.315311172,0.996633409,1.309284957,2.129580632,0.066013609,1.714180848,1.192683652,1.003531124,0.974095582,0.87500543,0.822773043,0.65886919,1.160665414,1.747015013,1.185335401,1.009607197,0.967895706,0.878738061,0.837703566,0.626203804,1.127071739,0.554725581,0.520910616,0.927717894,1.610721746,1.004985124,1.239437165,2.074033044,0.144141293,45.59740545,23.04870272,36.90887934,45.98629433,5.109588259,23.04870272,0.5,0.189503468,0.021055941,-1.497013157,36.26179794,4.029088661,3.23168831,45.60748959,23.05301037,36.91414562,45.99523604,5.110581782,23.05301037,0.498531158,0.189300454,0.021033384,-1.497977838,36.2619753,4.029108367,3.231692712,54.74364989,26.97283047,41.93279417,54.12299182,6.013665757,26.97283047,-0.797988956,0.006888766,7.65E-04,-4.480076939,43.3658146,4.818423845,3.392704304,45.61807373,23.05753167,36.91967364,46.0046212,5.111624578,23.05753167,0.4969896,0.189087381,0.021009709,-1.498991435,36.26217384,4.029130426,3.231697639,64.72824045,31.28182596,48.0240176,63.04467159,7.00496351,31.28182596,-2.164588529,0.181600119,0.020177791,-1.535353341,50.60424359,5.622693733,3.531631894,46.6566905,23.50147944,37.46522542,46.92601035,5.214001149,23.50147944,0.346268372,0.168206623,0.018689625,-1.604305939,36.3440455,4.038227277,3.233727342,48.22765984,24.28870741,40.2682333,48.69279777,5.410310863,24.28870741,1.174603175,0.289709943,0.032189994,-1.114987549,37.14223188,4.126914654,3.253279183,0,11.99632006,15.9982593,-0.349589123,0.261215741,3.996822445,7.054206274,8,22,21,21,7,1,1,0,0,1,18.178898,3.548326563,3.264966179,2.815569099,2.537774284,2.049472931,1.511704076,1.168822574,1.085160348,1.871193283,1.599497674,1.416228458,1.156920087,0.799938421,0.569473718,0.400948043,0.083923071,3.499199422,3.197380463,2.795957385,2.50682941,2.038015646,1.568893035,1.278105062,0.634216703,1.825117274,1.590039841,1.362787373,1.090289639,0.742445146,0.489308491,0.36352774,0.270913902,3.652169788,3.405751385,3.053613671,2.777630858,2.373256538,1.986452783,1.758409614,1.255949894,1.633659374,1.336243715,1.033834972,0.761573641,0.339276477,0.005659841,0.171849612,0.943918427,3.506601395,3.187439316,2.805350997,2.525959563,2.055361123,1.619739597,1.3590943,0.465144215,1.804251707,1.588884991,1.320832899,1.051700886,0.707891748,0.425790806,0.269194954,0.399277246,3.690921526,3.441470125,3.137149909,2.860286179,2.475100364,2.143780586,1.955503145,1.209058028,1.585746856,1.294911788,0.95386135,0.673948094,0.241664401,0.140177699,0.361326013,1.207644823,4.915470075,3.442922778,3.315543106,2.999144554,2.410657628,1.959926776,1.755114049,1.491499724,1.749498632,1.363043847,1.036156006,0.844841936,0.430392845,0.160700989,0.194355565,0.6,0,0,1,0,0,1,4,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.49279928,0.348461713,0.24639964,0.100592232,0.071129449,0.050296116,7.112884175,4.308060412,3.009201922,1.997400241,0.946923425,0.535074775,0.348461713,0.102062073,0.790320464,0.538507552,0.37615024,0.285342892,0.189384685,0.133768694,0.116153904,0.102062073,6.144923706,3.377156753,2.033239394,1.212125132,0.62139964,0.299230856,0.153093109,0.051031036,0.682769301,0.422144594,0.254154924,0.173160733,0.124279928,0.074807714,0.051031036,0.051031036,12.22239284,22.87618354,21.77647059,22.12,13.55036048,177.5068275,0.531408384,0.994616676,0.946803069,0.96173913,0.589146108,7.717688154,1.7397,36.158,25.41191019,39.68761279,50.82382038,5.647091153,25.41191019,0.089797579,0.009977509,-2.16917754,37.38194553,4.153549503,3.259069063,85,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,1,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.92223639,-0.094027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.71189059,0.5125,0,0,0,0,0,0,0,0,0,0,3.533291761,0,3.805166289,0,0,0,0,0,0,-0.094027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46440193,4.457834467,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.457834467,-0.094027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.252862812,0.5125,0,0,0,0,0,0,0,0,0,0,1.424880008,0,0.57375,0,0,0,0,0,0,-0.094027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46440193,4.457834467,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46440193,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,2.108411754,0,1.149795918,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.46440193,4.457834467,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.16666667,2.462962963,0.566850907,10.46440193,0.252862812,-0.094027778,3.373730109,1.760694444,3.464401927,9.061296296,1.760694444,3.464401927,9.061296296,4.16666,0.46296,0,0.03704,0.52319,0.87037,0.42414,0.52319,0.87037,0.09905,0,-0.09905,0,0.53191,0.18238,0,0.32,0.12,0,6.25,0.69444,4.75,0.52778,1.5,0.16667,-3.25,-0.36111,0,0,6.91544,0.76838,9.9223,3.00686,0.3341,3.18293,0.35366,4.30805,1.12513,0.12501,0.10595,0.01177,0.10595,0.01177,0,8.02,2,2,2,2,0,0,0.857142857,1.264672679,1.999307329,3.348798912,3.675310869,3.464234653,3.762267391,29.08747163,45.98406858,77.02237498,84.53214998,79.67739701,86.53214998,0.279574524,0.441976334,0.740301326,0.812481603,0.765820096,0.831704623,3.258889277,2.524254627,1.174763044,0.848251087,1.059327303,0.761294565,0.279574524,0.441976334,0.740301326,0.812481603,0.765820096,0.831704623,11.60803893,20.77103861,24.40354894,23.77677456,23.56404667,24.82025282,32.94327953,20.86971424,17.35413965,17.47483124,18.10523139,16.15819021,9,6.125,5.87755102,9,3,6,2.01,1.1693,0.142857143,2.576474029,0.632455532,0,3.965406457,1.807204007,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,3.857,8,7,5,4,3,1,0,0,0,45,2.302585093,2.397895273,2.302585093,1.945910149,1.791759469,1.609437912,0.693147181,0,0,0,3.988984047,1.177777778,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.625,7,0.875,0,4,7,0.75,1.5,0.666666667,0.25,0.16,0.111111111,0.040816327,0,0,0,0,0.1875,0.083333333,0.035714286,0.032,0.027777778,0.013605442,0,0,0,0,0.379930839,25.41191019,39.68761279,50.82382038,5.647091153,25.41191019,0.089797579,0.009977509,-2.16917754,37.38194553,4.153549503,3.259069063,26.3,144.5723458,4.169925001,3.496507561,4.143134726,4.828313737,5.501258211,6.196444128,6.876264612,7.5750717,8.257126286,8.957381736,72.8315027,2.833213344,0,3.891820298,0,5.117993812,0,6.411818268,0,7.739359203,8.053251154,130.0993797,5.656494769,16.65751855,1.850835395,5.120782991,5.120782991,0,110,7,2.201,32,1.233227273,2.115662693,2.862637971,3.618101332,4.869059934,5.872890352,7.151454554,8.21855873,9.206464991,0,92.90307534,96.48572755,100.3001323,119.4299573,139.3443689,174.8171475,134.0451451,57.3706715,9.354357644,0,281.9160909,321.2573092,366.6716946,464.1923224,537.8241333,626.7819959,702.5309276,625.1924065,286.1714049,0,9.447098999,16.06774347,21.20918031,27.35500377,36.15051367,44.40618477,55.90064078,56.98033303,61.85330361,0,1.992608666,2.470228826,2.920977756,3.708275048,4.424366345,5.040518414,5.880920373,6.610619207,4.093313143,0,179.7781318,337.2739014,471.2347513,592.4862502,816.8983509,994.0461284,1230.109084,1379.228633,1702.43789,0,3.502094697,5.75640697,6.691373754,9.153149998,11.0409019,15.79064193,20.03395605,12.6383571,9.206464991,0,0.450467386,0.575466985,0.681973649,0.879499401,1.059799372,1.263111034,1.479927356,1.44974467,0.942742015,0,389.9452794,313.1594639,14.18721552,179.1822833,-143.898723,-21.77711878,210.7629961,457.0581869,35.9643343,0.685163231,0.550244768,0.024928006,0.314836769,-0.252840896,-0.038264038,221.9286064,178.2276824,8.074335391,101.9775761,-81.8967295,-12.39395853,0.325229487,0.397157327,2.086517872,6.967323289,514.041658,55.08590459,0.903209916,0.096790084,648.0661598,25.45714359,8.653791915,783.6846649,27.99436845,9.219636166,1070.552975,32.71930585,10.22985287,2.764764615,2.764764615,1036.53007,982.166445,74.42225426,1.055350725,13.92768978,13.19721439,4.520924511,5.363411326,9.785900058,0.824566393,3.917833806,5.241545688,5.088624838,17.53556011,8.606211244,1.551847257,3.805414554,8.32472761,7.902017314,1.188247376,3.936878646,1.890643301,6.469173602,0.011454022,2.915699972,1.34169786,4.119201942,0.552225975,0.020431049,1.43E-22,1.92E-64,5.00E-128,2.51E-213,2.427E-320,0,0,0,0,0,0,0.345304163,5.392468715,0.484452002,4.88842538,0.287850341,1.072367007,0.530365197,0.338216397,3.442067661,0.050705334,1.94026723,1.056246096,0.478400633,0.005785488,0.119257211,0.946041433,0.178823637,0.003889383,1.44E-04,1.01E-24,1.36E-66,3.52E-130,1.77E-215,1.7E-322,0,0,0,0,0,0,1.067266495,5.111389101,1.036808437,5.486953404,1.108265585,0.952502274,1.077390169,1.22268389,3.471183909,0.195981062,1.820913716,0.753048303,1.098123824,0.004816071,0.337268403,0.999421462,0.687221504,0.040530289,0.001499523,1.05E-23,1.41E-65,3.67E-129,1.84E-214,1.78E-321,0,0,0,0,0,0,3.703230625,5.392104873,5.793808777,17.10839018,8.035335891,1.777727223,3.880424747,7.726374095,8.800446734,1.087858148,3.950938699,2.212945633,6.871431515,0.012295375,2.922352465,1.307789254,3.77328905,0.492023408,0.018203697,1.27E-22,1.71E-64,4.46E-128,2.24E-213,2.162E-320,0,0,0,0,0,0,1.565372702,5.004591042,1.246079693,6.322827361,1.868931794,0.893463995,1.415899921,2.012198327,3.53174931,0.321516895,1.911583352,0.659044466,1.453695176,0.004881971,0.51494428,1.044195426,1.124084688,0.088037177,0.003257165,2.28E-23,3.07E-65,7.98E-129,4.00E-214,3.873E-321,0,0,0,0,0,0,4.731374743,5.337037471,7.084567457,23.58080712,12.05769233,1.900147361,4.798533876,11.45075587,10.01230059,1.594857498,4.874403117,2.464702067,9.111549705,0.013857052,4.231318223,1.478244804,5.518824501,0.805369651,0.029796765,2.08E-22,2.81E-64,7.30E-128,3.66E-213,3.5395E-320,0,0,0,0,0,0,2.465227119,5.339543861,6.116588675,13.78515878,5.126156679,2.644691917,3.056326628,4.466494258,12.63369012,0.52689187,3.302664866,5.236865531,7.68030714,0.015134578,1.85421014,1.560906061,2.184424688,0.198801399,0.007355178,5.14E-23,6.93E-65,1.80E-128,9.03E-214,8.735E-321,0,0,0,0,0,0,9.236079731,0.732372582,0.432671491,0.887988635,0.070412832,0.531707058,0.555815316,0.521721165,10.4011238,11.07731669,24.4051393,0.831982953,1.60924354,7.82684809,0.500371291,0.077051133,0.931294165,0.059537742,0.381834254,0.261666877,0.016545502,8.404270514,4.557951773,13.26397996,0.896941247,0.660046633,8.355013068,0.525930896,0.220577479,0.917979826,0.057784943,0.435102553,0.286613544,0.135595174,9.101521444,6.353095745,16.42386982,0.876969738,0.857311272,9.160847171,0.738613603,0.410617078,0.888533268,0.071639964,0.523071337,0.566489359,0.469889685,10.31007785,10.831214,23.919661,0.832799903,1.55945038,8.634564542,0.558790423,0.293230964,0.910186721,0.058903216,0.46472558,0.322535648,0.239630201,9.486585929,7.520688313,18.42208783,0.865280082,1.026891429,9.340249421,0.764325481,0.456503139,0.88440303,0.072371919,0.543764951,0.605771598,0.58077703,10.56107804,11.75176079,25.57181046,0.826604545,1.730313578,9.173935407,0.744546615,0.413962653,0.887876557,0.072059095,0.52456603,0.577920841,0.477577895,10.33244468,10.93630369,24.0962882,0.831814836,1.580064766 +UMLYSI0344,L,3-methyl-2-butanone,CC(C)C(=O)C,saturated alkanone,C5H10O,563-80-4,11251,PubChem,,26.6,0,0.4804,0.23078416,25.857,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,890.291353,1115.814094,937.17398,254.239776,18.289152,0,0,0,2644.81273,3144.163273,3956.119707,3802.835659,2241.926113,559.5073998,0,0,0,118.238936,111.372268,196.107592,227.226368,222.86016,120.932352,0,0,0,19.03383305,23.6303831,31.19832786,30.87993833,21.90649449,8.003032287,0,0,0,2668.599586,2191.74623,4315.593522,4860.479151,5167.588057,3328.517736,0,0,0,75.55555556,41.88888889,64.33333333,98,78,18,0,0,0,61.71557788,59.35275687,41.32644793,31.23913267,8.4746592,1.016064,0,0,0,165.3007956,209.6108849,146.5229521,126.7611886,74.73087045,31.08374443,0,0,0,7.3899335,7.424817867,7.263244148,7.574212267,7.428672,6.718464,0,0,0,1.189614566,1.575358873,1.155493625,1.029331278,0.730216483,0.444612905,0,0,0,166.7874742,146.1164153,159.8367971,162.0159717,172.2529352,184.917652,0,0,0,4.722222222,2.792592593,2.382716049,3.266666667,2.6,1,0,0,0,0.121025513,-0.048030778,0.007378934,0.012116105,-0.045179696,0.013202678,0,0,0,523.7576238,-43.92541314,140.7294365,-306.3358488,-396.9373015,344.590315,0,0,0,766.4429154,-94.95499335,89.28516151,-470.164965,-405.3582493,497.9715884,0,0,0,1.03666,-0.00156025,0.14481275,-0.3496845,-0.5478825,0.2359845,0,0,0,3.391946473,-0.464107523,-0.097110631,-1.973119717,-1.027398234,1.865762869,0,0,0,18.82152525,-2.587911668,-1.351021359,-10.63137114,-4.418058908,9.577600449,0,0,0,33.30555556,-1.918402778,4.546875,-8.03125,-18.28125,7.03125,0,0,0,0.007564095,-0.003202052,2.73E-04,4.04E-04,-0.00150599,7.33E-04,0,0,0,32.73485148,-2.928360876,5.212201354,-10.21119496,-13.23124338,19.14390639,0,0,0,47.90268221,-6.33033289,3.306857834,-15.6721655,-13.51194164,27.66508825,0,0,0,0.06479125,-1.04E-04,0.005363435,-0.01165615,-0.01826275,0.01311025,0,0,0,0.211996655,-0.030940502,-0.00359669,-0.065770657,-0.034246608,0.103653493,0,0,0,1.176345328,-0.172527445,-0.050037828,-0.354379038,-0.14726863,0.532088914,0,0,0,2.081597222,-0.127893519,0.168402778,-0.267708333,-0.609375,0.390625,0,0,0,-0.423322557,0.036130412,0.053393061,-0.199097175,0.096968925,0,0,0,-0.089456978,0.159224836,-0.311936499,-0.404194392,0.584817267,0,0,0,-0.132149863,0.069032832,-0.327166763,-0.282070669,0.577526914,0,0,0,-0.001605412,0.082780239,-0.179903151,-0.281870623,0.202345996,0,0,0,-0.145948065,-0.016965787,-0.310243845,-0.161543152,0.488939285,0,0,0,-0.146663943,-0.042536683,-0.301254257,-0.125191665,0.452323736,0,0,0,-0.061440089,0.080900751,-0.128607173,-0.292743953,0.18765638,0,0,0,1.120424891,0.715627764,1.397238433,1.396558834,0.003208833,0,0,0,1.170927332,0.787366103,1.36885108,1.337055762,0,0,0,0,1.491123972,1.004070686,1.306269823,1.044504574,0,0,0,0,0.512040592,0.518095508,1.577122682,1.700571065,0,0,0,0,1.594610489,1.112433977,1.303290045,0.898214131,0,0,0,0,1.599979575,1.132286945,1.309539338,0.871412624,0,0,0,0,0.580483736,0.518950978,1.531276063,1.711426188,0,0,0,0,17.73713436,8.99356718,13.33074871,17.90380103,2.983966838,8.993899536,0.25,0.077420581,0.01290343,-1.535101575,15.29858361,2.549763935,1.63665615,17.73880157,8.994033576,13.33137525,17.90497863,2.984163104,8.994365704,0.249265579,0.077403381,0.012900563,-1.535234891,15.29833085,2.549721808,1.636646236,19.2227029,9.411854209,13.93887979,18.95670658,3.159451096,9.41204538,-0.398994478,0.057986566,0.009664428,-1.708526353,15.2947886,2.549131433,1.636507293,17.74055136,8.994523081,13.33203293,17.90621456,2.984369094,8.994854969,0.2484948,0.07738532,0.012897553,-1.535374908,15.29806594,2.549677656,1.636635847,20.80762516,9.862665448,14.75359568,20.08609565,3.347682608,9.862780214,-1.082294264,0.024002671,0.004000445,-2.237754109,16.47012243,2.745020405,1.680928787,17.91181893,9.04247656,13.39696242,18.02724172,3.004540287,9.042786098,0.173134186,0.075573465,0.012595577,-1.549590033,15.27409251,2.545682084,1.635694856,21.40495641,10.79208824,16.48633804,21.60924212,3.601540354,10.79214945,0.612857143,0.129666786,0.021611131,-1.225672383,14.22271898,2.370453163,1.592904369,0,11.89,15.99491589,-0.29920706,0.193066775,4.115247042,7.174253512,5,15,14,14,4,1,1,0,0,1,11.89007,3.552324808,2.858496616,2.333552793,2.067506861,1.184248022,0.083923071,0.083923071,0.083923071,1.83786375,1.446782794,1.249629723,0.649877297,0.144254282,0.083923071,0.083923071,0.083923071,3.5117139,2.848771772,2.405454588,1.961658367,1.194083734,0.270913902,0.270913902,0.270913902,1.807055976,1.374479688,1.134540686,0.643199569,0.163951732,0.270913902,0.270913902,0.270913902,3.651066943,3.076952739,2.704236987,2.342255858,1.660787366,0.943918427,0.943918427,0.943918427,1.624145838,1.077544944,0.76031856,0.232798157,0.365844096,0.943918427,0.943918427,0.943918427,3.512580739,2.867930093,2.457539916,1.954064441,1.227034073,0.399277246,0.399277246,0.399277246,1.791091456,1.329603574,1.058262671,0.646503041,0.116340018,0.399277246,0.399277246,0.399277246,3.685244024,3.157972182,2.838982085,2.408609267,1.811586248,1.207644823,1.207644823,1.207644823,1.586002574,0.995780522,0.631337262,0.154796114,0.50548803,1.207644823,1.207644823,1.207644823,4.646873846,3.253551155,2.738099794,2.587517045,1.52928356,0.555555556,0.555555556,0.555555556,1.70062849,1.149755988,0.920850378,0.306061131,0.433081699,0.555555556,0.555555556,0.555555556,0,0,0,1,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.666666667,0,0.333333333,0,0.406526265,0,0.11785113,0,1.333333333,0,0,0.642228525,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,4.48559856,2.147499818,1.765350948,0.81305253,0,0,0,0,0.74759976,0.429499964,0.294225158,0.203263132,0,0,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,1.2314,25.519,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,24,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,2,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.14351852,0.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.013194444,0.802777778,0,0,0,0,0,0,0,0,0,0,5.384259259,0,0,0,0,0,0.212962963,0,0,0.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.14351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.14351852,0.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305902778,0.401388889,0,0,0,0,0,0,0,0,0,0,1.601851852,0,0,0,0,0,0.212962963,0,0,0.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.14351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.14351852,0.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,1.891203704,0,0,0,0,0,0.212962963,0,0,0.259259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.14351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,2.666666667,0.565972222,10.14351852,0.305902778,0.212962963,2.379953704,1.407407407,3.143518519,6.287037037,1.407407407,3.143518519,6.287037037,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.42,0.49792,0.82778,0.07792,0,-0.07792,0,0.57047,0.14382,0,0.64706,0.35294,0,4.25,0.70833,2.75,0.45833,1.5,0.25,-1.25,-0.20833,0,0,4.3321,0.72202,6.13075,1.79864,0.29977,1.92436,0.32073,2.64272,0.71836,0.11973,0.27128,0.04521,0.27128,0.04521,0,5.01,1,1,1,1,0,0,0.8,1.198192411,1.798794941,2.608458593,2.608458593,2.108458593,0.983458593,19.17107858,28.78071905,41.73533749,41.73533749,33.73533749,15.73533749,0.299548103,0.449698735,0.652114648,0.652114648,0.527114648,0.245864648,2.801807589,2.201205059,1.391541407,1.391541407,1.891541407,3.016541407,0.299548103,0.449698735,0.652114648,0.652114648,0.527114648,0.245864648,10.71860945,17.9258398,18.7418391,18.7418391,12.7418391,0.991154188,21.96987352,15.23794941,15.79229297,15.79229297,12.79229297,4.542292967,6,2.222222222,3,6,1,4,1.9,0.8288,1.144714243,0,4.242640687,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0.003,0.437,0.423,0.559,0.164,2.661,6,4,0,0,0,0,0,0,0,21,1.945910149,2.197224577,1.945910149,0,0,0,0,0,0,0,3.295836866,1.238095238,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,3,0.5,2,0.888888889,0,0,0,0,0,0,0,0,0.4,0.148148148,0,0,0,0,0,0,0,0,0.548148148,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,17.07,101.1901498,3.584962501,3.135494216,3.761200116,4.465908119,5.141663557,5.837730447,6.52649486,7.220373837,7.912423121,8.605753368,63.60704164,2.397895273,0,3.555348061,0,4.875197323,0,6.244166901,0,7.626082758,7.917536354,86.07316494,5.379572809,10.52364588,1.75394098,2.325355914,2.325355914,0,29,4,0.731,22,1.2268,2.112273498,2.936455353,3.543726032,4.197361673,0,0,0,0,0,82.78024119,99.43300452,98.02033774,30.88606211,4.264788091,0,0,0,0,0,280.7281514,338.7474884,388.3148092,273.1542496,130.4697175,0,0,0,0,0,9.137724337,15.46111316,22.29503064,26.28984473,28.19982329,0,0,0,0,0,2.061570699,2.604148865,3.115659422,2.663772251,1.866201166,0,0,0,0,0,177.2249115,333.1140169,473.214072,606.6646325,776.1662652,0,0,0,0,0,3.474488889,5.38269341,9.784769913,9.151975701,4.197361673,0,0,0,0,0,0.444136,0.584687302,0.739948472,0.64364208,0.429809835,0,0,0,0,0,322.6707562,134.359726,8.512437561,121.3884158,-50.54599457,-18.50604676,201.2823404,184.9057206,27.01848432,0.726639098,0.302571672,0.019169602,0.273360902,-0.11382716,-0.041674731,143.2849088,59.66366869,3.780025974,53.9036394,-22.44541249,-8.217779799,0.317218128,0.718521233,1.197129881,35.99383467,393.964849,50.09432293,0.887189983,0.112810017,382.2140291,19.55029486,7.257196369,479.08439,21.88799648,7.824753652,611.4113532,24.72673357,8.487461806,1.159112747,1.040951324,233.4267505,158.5192234,106.3467503,1.472545383,2.194958941,1.490588315,3.39504454,3.222561645,5.273470069,0.636421782,2.80222057,3.881199419,2.709266493,7.784781741,2.86081283,3.111567086,4.886055172,5.131357284,2.461198564,0.01085568,1.87E-23,6.42E-66,4.38E-130,5.92E-216,1.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.251664719,3.881080659,0.201990091,4.336793933,0.931516546,0.919338075,0.409134184,0.320194317,0.017334423,7.65E-05,1.32E-25,4.52E-68,3.09E-132,4.17E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765026468,3.880971071,0.542792253,4.627942783,1.09377705,0.964945955,1.085667717,1.103667272,0.18063805,7.97E-04,1.37E-24,4.71E-67,3.22E-131,4.35E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650178473,3.881244822,2.787757271,7.712929945,2.786030527,3.439385079,4.615801482,4.772915705,2.192883611,0.009672216,1.66E-23,5.72E-66,3.91E-130,5.28E-216,1.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.11993283,3.880940732,0.753357849,4.959927952,1.242163042,1.041563384,1.598293318,1.698852241,0.392369982,0.001730638,2.98E-24,1.02E-66,6.99E-131,9.44E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.384110175,3.881325441,3.645535655,8.928064341,3.726663568,4.047837501,6.329571615,6.563412229,3.589426799,0.01583199,2.72E-23,9.36E-66,6.39E-130,8.63E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.711806416,3.262892239,2.606365586,7.43311469,2.406955652,5.31440885,3.003147445,2.750405352,0.759629187,0.003350519,5.77E-24,1.98E-66,1.35E-130,1.83E-216,4.9E-324,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.598658955,1.301992849,0.509328437,0.589267709,0.295237796,0.52892672,0.484286219,0.472679123,4.409980241,5.370148262,11.50340835,0.383901564,1.485892061,1.725742287,1.143545858,0.184731406,0.565072442,0.3744396,0.313389411,0.305763616,0.051325346,3.054019551,2.503513077,5.922093674,0.409268063,0.670478373,2.079648598,1.112532078,0.311022732,0.593641977,0.317575644,0.343915002,0.350916682,0.171602382,3.503203408,3.306516532,7.529325701,0.390462966,0.866434065,2.52681693,1.339035032,0.502781804,0.578399808,0.306511167,0.501064747,0.507526508,0.453696391,4.368633765,5.32717641,11.39697059,0.367599712,1.462287646,2.281638498,1.105794666,0.363653296,0.608260706,0.294793169,0.408678339,0.351768348,0.243117547,3.751086461,3.754874918,8.423467257,0.412391059,1.003564234,2.651894008,1.340171283,0.535605181,0.585708263,0.295995765,0.550739762,0.512065897,0.52162199,4.527670473,5.692163051,12.12337016,0.378562395,1.584427649,2.528837175,1.344784414,0.502634491,0.577854021,0.30729107,0.501933529,0.511638456,0.452654068,4.37625608,5.347756636,11.43334235,0.366781032,1.466226054 +UMLYSI0345,L,tetrahydropyran,C1CCOCC1,cyclic saturated ethers,C5H10O,142-68-7,8894,PubChem,,26.5,0,-0.9949,0.98982601,19.7783,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,1082.455342,1224.686158,755.170631,145.367712,8.128512,0,0,0,2644.81273,3446.892775,4618.785718,3810.943601,1579.260103,248.6699554,0,0,0,118.238936,121.406152,235.588936,284.377124,183.378816,53.747712,0,0,0,19.03383305,24.9697231,36.01312543,33.98672738,17.09169693,3.556903239,0,0,0,2668.599586,2345.089558,4929.150212,6556.312343,4554.031367,1479.341216,0,0,0,33.5,34.5,62.5,63.75,35,8,0,0,0,61.71557788,67.65345887,39.5060051,19.36334951,5.591065846,1.016064,0,0,0,165.3007956,215.4307984,148.9930877,97.71650259,60.7407732,31.08374443,0,0,0,7.3899335,7.5878845,7.599643097,7.291721128,7.053031385,6.718464,0,0,0,1.189614566,1.560607694,1.161713723,0.871454548,0.657372959,0.444612905,0,0,0,166.7874742,146.5680974,159.0048455,168.1105729,175.1550526,184.917652,0,0,0,2.09375,2.15625,2.016129032,1.634615385,1.346153846,1,0,0,0,0.17088783,-0.031153572,-0.066109633,-0.007703318,0.006514051,0.013008557,0,0,0,523.7576238,26.4309685,-237.6289289,-185.2531665,-18.57893609,153.1512511,0,0,0,766.4429154,-57.19330087,-307.9200666,-231.2757751,-8.153021144,221.320706,0,0,0,1.03666,0.035866,-0.35967425,-0.25600825,-0.0433955,0.104882,0,0,0,3.391946473,-0.591328798,-1.148558163,-0.809363516,0.024049298,0.829227942,0,0,0,18.82152525,-3.792909478,-5.987636718,-4.105484193,0.218556451,4.256711311,0,0,0,5.9375,0.375,-2.22265625,-1.62890625,-0.2734375,0.78125,0,0,0,0.010680489,-0.001947098,-0.002132569,-1.98E-04,2.51E-04,0.00162607,0,0,0,32.73485148,1.651935531,-7.665449319,-4.750081193,-0.714574465,19.14390639,0,0,0,47.90268221,-3.574581304,-9.932905374,-5.930148078,-0.313577736,27.66508825,0,0,0,0.06479125,0.002241625,-0.011602395,-0.006564314,-0.001669058,0.01311025,0,0,0,0.211996655,-0.03695805,-0.037050263,-0.020752911,9.25E-04,0.103653493,0,0,0,1.176345328,-0.237056842,-0.193149572,-0.105268825,0.008406017,0.532088914,0,0,0,0.37109375,0.0234375,-0.071698589,-0.041766827,-0.010516827,0.09765625,0,0,0,-0.182304217,-0.199669578,-0.018493627,0.023457768,0.152246732,0,0,0,0.050464122,-0.234167836,-0.145107767,-0.021829165,0.584817267,0,0,0,-0.074621736,-0.207355933,-0.123795742,-0.006546142,0.577526914,0,0,0,0.03459765,-0.179073488,-0.101314824,-0.025760542,0.202345996,0,0,0,-0.174333175,-0.174768151,-0.097892633,0.004363149,0.488939285,0,0,0,-0.201519772,-0.164194618,-0.08948803,0.007145876,0.452323736,0,0,0,0.063157895,-0.193208829,-0.112550607,-0.028340081,0.263157895,0,0,0,1.107520365,1.552120506,0.966057203,0.623972776,0.03305192,0,0,0,1.111978186,1.324694594,1.047122857,0.780962508,0,0,0,0,1.418997242,1.264132086,0.996179446,0.740651964,0,0,0,0,0.852838684,1.526247757,1.060227446,0.680462699,0,0,0,0,1.599066754,1.261248431,0.959815144,0.687824614,0,0,0,0,1.638427349,1.267296133,0.950539389,0.67030562,0,0,0,0,0.828947368,1.507640068,1.068825911,0.704453441,0,0,0,0,17.61143424,8.46605325,12.36315014,17.61143424,2.935239039,8.466879986,0.25,0.057814983,0.009635831,-1.710304386,15.76640885,2.627734809,1.654728993,17.61223995,8.467597665,12.36481191,17.61223995,2.935373325,8.46842272,0.249265579,0.057640123,0.009606687,-1.712121828,15.76828788,2.628047981,1.654800496,20.16164663,9.881326074,14.3197314,19.89565031,3.315941718,9.88147755,-0.398994478,5.77E-15,9.62E-16,-19.67133411,4000004.039,666667.3399,9.121083557,17.61308772,8.4692187,12.36655725,17.61308772,2.93551462,8.470041995,0.2484948,0.057456626,0.009576104,-1.714034964,15.77026544,2.628377573,1.65487574,23.98983354,11.45376964,17.08052936,23.26830403,3.878050671,11.45379992,-1.082294264,0.173264547,0.028877425,-1.051761407,33.04315228,5.507192047,2.098688611,17.70666325,8.628502819,12.54370929,17.70666325,2.951110541,8.62917195,0.173134186,0.03963594,0.00660599,-1.936811393,15.99158118,2.66526353,1.663237445,17.4518693,7.806268015,11.74686957,17.4518693,2.908644883,7.808333911,0.571428571,0.13524116,0.022540193,-1.200417433,15.36921108,2.56153518,1.639419737,0,11.9,15.99491589,-0.38063332,0.115952541,5.379741846,6.357017277,6,16,16,16,6,0,0,0,0,0,12.84807,3.54183204,2.750129472,2.638600808,1.456797487,1.276760675,0.703855583,0.083923071,0.083923071,1.885671916,1.372874417,1.142970565,0.666206401,0.54860844,0.083923071,0.083923071,0.083923071,3.51478589,2.792995694,2.544949708,1.556142907,1.342345072,0.497687803,0.270913902,0.270913902,1.858049396,1.285229005,1.112288376,0.522081792,0.401889891,0.270913902,0.270913902,0.270913902,3.676390744,2.981537655,2.833908695,1.9628467,1.808486578,1.135105268,0.943918427,0.943918427,1.654331719,1.018928274,0.764578757,0.037619229,0.127437254,0.943918427,0.943918427,0.943918427,3.52143931,2.824624264,2.538218861,1.62787375,1.414363535,0.439979556,0.399277246,0.399277246,1.840606975,1.228596505,1.091681639,0.425347018,0.303641391,0.399277246,0.399277246,0.399277246,3.720804588,3.072480534,2.895577156,2.141548494,1.995771008,1.208515408,1.207644823,1.207644823,1.6073773,0.933903671,0.695082274,0.135164289,0.314111956,1.207644823,1.207644823,1.207644823,3.803282081,3.013283373,2.896805253,1.786299648,1.715669512,1.348688893,0.666666667,0.666666667,1.68623216,1.119632981,0.788530327,0.230138587,0.07282804,0.666666667,0.666666667,0.666666667,0,0,0,0,0,2,3,0,0,0,0,0,0.125,0,0,0,0,0.072168784,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.242640687,3,2.121320344,1.5,1.060660172,0.75,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0.125,0,0,3.943782196,2.577350269,1.673032607,1.077350269,0.687087058,0.433012702,0,0,0.657297033,0.429558378,0.278838768,0.179558378,0.11451451,0.072168784,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,1.1869,24.67,21,27,42,7,21,1.11E-16,1.85E-17,-22.04208034,4000004,666667.3333,9.121083551,36,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.069444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.784722222,0,0,0,0,0,0,0,0,0,0,0,0,0,5.930555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.069444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.069444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.069444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.069444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,1.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.069444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,1.833333333,0.45,5.069444444,0.215277778,1,2.858527778,0.5,1.569444444,3.138888889,0.5,1.569444444,3.138888889,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.43333,0.49792,0.82778,0.06458,0,-0.06458,0,0.57047,0.14382,0,0,0,0,3.5,0.58333,3.5,0.58333,0,0,-3.5,-0.58333,0,0,4.13051,0.68842,5,0.86949,0.14492,2.49071,0.41512,3,0.50929,0.08488,-0.086,-0.01433,0,0,0.375,6.01,1,1,1,1,0,0,1,1.198192411,1.501614472,2.280639062,2.625,2.625,2.625,19.17107858,24.02583155,36.490225,42,42,42,0.299548103,0.375403618,0.570159766,0.65625,0.65625,0.65625,2.801807589,2.498385528,1.719360938,1.375,1.375,1.375,0.299548103,0.375403618,0.570159766,0.65625,0.65625,0.65625,10.71860945,14.35967418,17.0374325,17.38448807,17.38448807,17.38448807,21.96987352,18.88870097,17.68383437,17.25,17.25,17.25,4.166666667,2.222222222,1.333333333,0,0,0,1.9,0.7632,0,0,0,0,6.083643419,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.402,0.394,0.462,0.261,2.984,6,6,6,6,0,0,0,0,0,36,1.945910149,1.945910149,1.945910149,1.945910149,1.945910149,0,0,0,0,0,3.610917913,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,3,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9,13,18,3,9.000420062,7.22E-16,1.20E-16,-20.91899904,22.42419283,3.737365471,1.866084248,9.23,91.47014983,3.584962501,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,65.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921172722,86.07316494,5.379572809,11.8125,1.96875,2.9375,2.9375,0,27,3,0.884,24,1.285881189,2.222301452,3.001590843,3.842409729,4.381453488,0,0,0,0,0,102.7072829,100.5482493,60.64032659,21.07017027,4.451837157,0,0,0,0,0,306.768031,358.9799367,306.6147308,230.1583811,136.1919805,0,0,0,0,0,9.877419892,16.99053339,22.03000666,27.0898924,29.43663753,0,0,0,0,0,2.144404341,2.730191076,2.708739411,2.499455625,1.948050763,0,0,0,0,0,186.4188033,349.4930778,500.3474224,674.2827223,810.2080914,0,0,0,0,0,2.94348833,4.632666748,5.058595882,5.157248405,4.381453488,0,0,0,0,0,0.48323981,0.634376233,0.630423103,0.581128369,0.448660837,0,0,0,0,0,257.2964383,125.6753519,10.41013292,34.45388754,-16.82885496,-9.814700279,222.8425508,142.5042069,20.2248332,0.881906259,0.430763364,0.03568165,0.118093741,-0.057682386,-0.033640752,75.06631973,36.66582488,3.037159673,10.05193292,-4.909823917,-2.863442005,0.115297002,0.779249491,2.609269783,19.37373889,266.888277,24.86204884,0.914783133,0.085216867,403.8060986,20.09492718,7.391358909,500.6764594,22.37580075,7.940583021,594.3903508,24.38012204,8.407958966,1.221830792,1.021006725,222.0410466,136.5562369,111.2799956,1.626004434,1.995336586,1.227140926,3.309123658,3.781095539,4.928936118,0.303573546,2.78900665,2.230353339,9.808444068,9.694235037,6.509657768,7.376584608,4.96647318,0.779925423,0.628476692,6.87E-15,1.51E-50,6.39E-108,5.22E-187,8.23E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234063024,2.815116404,0.769077964,2.91295698,2.527246893,0.461921917,0.277848522,0.005493187,0.004426413,4.84E-17,1.06E-52,4.50E-110,3.68E-189,5.80E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.755581488,1.727685788,2.260353316,3.857525779,2.935550459,1.544102852,0.902964779,0.057242393,0.046126633,5.04E-16,1.11E-51,4.69E-109,3.83E-188,6.04E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.632594832,2.812897129,9.370018603,9.335585244,6.557528189,6.954228353,4.760571334,0.694899586,0.559961418,6.12E-15,1.34E-50,5.69E-108,4.65E-187,7.33E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.113587564,1.314453509,3.328247978,4.647398683,3.253844833,2.35497342,1.380302164,0.124337859,0.100193212,1.10E-15,2.41E-51,1.02E-108,8.32E-188,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368129211,2.59934954,12.52482864,11.70832251,8.073286699,9.537664127,6.648463736,1.137447576,0.91657419,1.00E-14,2.20E-50,9.32E-108,7.62E-187,1.20E-287,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.859338139,4.579323223,6.724176694,7.438549204,5.86018973,4.738169154,3.373769304,0.346633836,0.279322974,3.05E-15,6.71E-51,2.84E-108,2.32E-187,3.66E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.147446555,1.561672568,0.541545581,0.505202528,0.367394908,0.599794019,0.659985586,0.516806677,4.250664703,5.362265444,11.42906194,0.308896154,1.776586282,1.505237273,1.152077549,0.157473344,0.53476041,0.409294583,0.322021393,0.216660912,0.034005804,2.814788166,2.152606318,5.240476893,0.41608249,0.572688109,1.722262251,1.314339179,0.306810018,0.51512124,0.393113202,0.371519456,0.430094783,0.156623995,3.343411448,3.195296492,7.233214373,0.362351663,0.958238234,2.093655119,1.568037666,0.529208324,0.499571587,0.374152867,0.559846467,0.643578977,0.485581587,4.19090111,5.22072839,11.14898343,0.310586682,1.689007032,1.88248207,1.358426774,0.375248118,0.520575321,0.375654815,0.461123816,0.498468282,0.245802482,3.616156962,3.77335899,8.34910571,0.344345203,1.20539458,2.192180044,1.599345272,0.571125213,0.502488116,0.366599447,0.624296943,0.6911984,0.575131455,4.362650529,5.671488493,12.03653417,0.303631344,1.890626798,2.115206595,1.562882116,0.533162175,0.502275132,0.371120638,0.576484928,0.650450914,0.497058252,4.211250887,5.266836338,11.24062464,0.310093655,1.723994093 +UMLYSI0346,L,2-methyl-1-propanol,CC(C)CO,saturated alcohols,C4H10O,78-83-1,6560,PubChem,,26.2,0,0.1242,0.01542564,21.5446,14.50993,0,0,15,5,10,0,4,0,1,0,0,0,0,0,0,0,843.185125,750.047136,809.60784,616.436106,143.329536,6.096384,0,0,0,2221.295828,2687.923385,3331.733076,2948.832557,1405.397394,186.5024666,0,0,0,110.69842,106.185288,184.0386,217.72332,218.86848,40.310784,0,0,0,16.24493305,20.26270678,27.25039803,26.5898303,15.21718044,2.667677429,0,0,0,2541.80523,2097.013603,4035.989087,4944.130765,5485.5391,1109.505912,0,0,0,58.02777778,38.66666667,54.66666667,70.33333333,62,6,0,0,0,56.21234167,53.57479543,32.3843136,20.5478702,4.7776512,1.016064,0,0,0,148.0863886,191.9945275,133.269323,98.29441858,46.8465798,31.08374443,0,0,0,7.379894667,7.584663429,7.361544,7.257444,7.295616,6.718464,0,0,0,1.082995537,1.447336198,1.090015921,0.886327677,0.507239348,0.444612905,0,0,0,169.453682,149.7866859,161.4395635,164.8043588,182.8513033,184.917652,0,0,0,3.868518519,2.761904762,2.186666667,2.344444444,2.066666667,1,0,0,0,0.22100372,-0.103390016,-0.029376669,0.046322052,-0.053439556,0.029382329,0,0,0,476.9038497,-65.66428988,-84.27436056,-205.1629921,23.8136108,92.83610691,0,0,0,665.1575892,-80.97945498,-96.82109803,-528.8738973,246.5759258,127.5197299,0,0,0,1.034995733,-0.103350151,-0.136179289,0.018791467,-0.3718448,0.075084907,0,0,0,2.896898448,-0.288018268,-0.316483651,-2.817756022,1.514976868,0.45883185,0,0,0,16.06108614,-1.477481838,-1.571214465,-16.08214682,8.777520432,2.322779618,0,0,0,23.27037037,-3.989382716,-3.093209877,2.340740741,-8.52962963,1.636296296,0,0,0,0.014733581,-0.007385001,-0.001175067,0.001544068,-0.001781319,0.004897055,0,0,0,31.79358998,-4.69030642,-3.370974422,-6.838766404,0.793787027,15.47268448,0,0,0,44.34383928,-5.784246784,-3.872843921,-17.62912991,8.219197526,21.25328832,0,0,0,0.068999716,-0.007382154,-0.005447172,6.26E-04,-0.012394827,0.012514151,0,0,0,0.193126563,-0.020572733,-0.012659346,-0.093925201,0.050499229,0.076471975,0,0,0,1.070739076,-0.105534417,-0.062848579,-0.536071561,0.292584014,0.387129936,0,0,0,1.551358025,-0.284955908,-0.123728395,0.078024691,-0.284320988,0.272716049,0,0,0,-0.501235986,-0.07975432,0.104799259,-0.120901937,0.332373695,0,0,0,-0.147523649,-0.106026857,-0.215098905,0.024966889,0.486660503,0,0,0,-0.130440821,-0.087336685,-0.397555336,0.185351509,0.479283902,0,0,0,-0.106988175,-0.078944841,0.009078041,-0.17963591,0.181365257,0,0,0,-0.106524618,-0.065549481,-0.486340145,0.261482564,0.395968186,0,0,0,-0.098562217,-0.058696446,-0.500655643,0.27325426,0.361553944,0,0,0,-0.18368159,-0.079754894,0.050294445,-0.183272322,0.175791819,0,0,0,1.389539695,0.809893925,0.644079106,1.312486532,1.100354501,0,0,0,1.394650417,1.126188845,1.132487094,0.77818534,0,0,0,0,1.611680217,1.221972382,1.395988706,0.333583541,0,0,0,0,1.046261318,0.910272661,0.716898543,1.536285625,0,0,0,0,1.696559902,1.243668601,1.50092009,0.170961455,0,0,0,0,1.704790797,1.24061085,1.511709908,0.158878678,0,0,0,0,1.134012414,0.910456788,0.687967531,1.524112685,0,0,0,0,13.92632712,7.08816356,10.60253706,14.07632712,2.815265424,7.090016249,0.25,0.005675938,0.001135188,-2.585759682,12.4729714,2.494594281,1.261782008,13.92923326,7.089249421,10.60453917,14.07879261,2.815758522,7.091099704,0.249265579,0.005841989,0.001168398,-2.571341975,12.47180918,2.494361837,1.261735416,16.51231851,8.056662016,12.611359,16.27292182,3.254584365,8.05729089,-0.398994478,0.13621784,0.027243568,-0.996749957,13.46107532,2.692215064,1.299901106,13.93228334,7.090389069,10.60664112,14.08138022,2.816276043,7.092236831,0.2484948,0.00601625,0.00120325,-2.556645581,12.47059513,2.494119026,1.261686742,19.26143465,9.089570194,15.08429315,18.61205809,3.722411619,9.089785787,-1.082294264,0.221349064,0.044269813,-0.754007174,26.01558515,5.203117031,1.629347894,14.23078816,7.201961175,10.81568961,14.33466868,2.866933735,7.203580376,0.173134186,0.0229788,0.00459576,-1.886591621,12.37984116,2.475968232,1.258034718,15.19901962,7.892912587,12.08714947,15.55110295,3.11022059,7.893825397,0.586805556,0.040294328,0.008058866,-1.605772287,11.27938123,2.255876246,1.211488195,0,11.99646149,15.99794197,-0.421345168,0.071853976,3.945673112,6.6197529,4,14,14,14,4,0,0,0,0,0,10.93207,3.416114232,2.617427588,2.333552793,1.502468948,0.96052669,0.083923071,0.083923071,0.083923071,1.827242846,1.249629723,1.197541044,0.454601709,0.349430602,0.083923071,0.083923071,0.083923071,3.417579556,2.520270316,2.405454588,1.382376701,1.053421808,0.270913902,0.270913902,0.270913902,1.777948972,1.172434023,1.134540686,0.415704701,0.209105972,0.270913902,0.270913902,0.270913902,3.569695903,2.858395339,2.704236987,1.9222596,1.573511089,0.943918427,0.943918427,0.943918427,1.572262975,0.783975778,0.76031856,0.172700941,0.366012371,0.943918427,0.943918427,0.943918427,3.432896708,2.521723674,2.457539916,1.386771089,1.121433591,0.399277246,0.399277246,0.399277246,1.747694586,1.155924666,1.058262671,0.376962464,0.104894844,0.399277246,0.399277246,0.399277246,3.626109758,2.930147916,2.838982085,2.048659295,1.7777981,1.207644823,1.207644823,1.207644823,1.516484896,0.700455145,0.631337262,0.311077822,0.563112515,1.207644823,1.207644823,1.207644823,4.214646979,3.323047619,2.634654398,2.102082053,1.282295295,0.585365854,0.585365854,0.585365854,1.671967161,0.878556837,0.841259084,0.016573927,0.290655055,0.585365854,0.585365854,0.585365854,0,0,0,0,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0,0.40824829,0,0,0.182574186,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.731670646,1.879176595,1.576421036,0.365148372,0,0,0,0,0.746334129,0.469794149,0.394105259,0.182574186,0,0,0,0,7.423938123,14.76984705,13.97647059,14.2,8.473011976,116.5531018,0.494929208,0.98465647,0.931764706,0.946666667,0.564867465,7.770206786,0.6347,21.9238,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.713888889,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0.713888889,0,0,0,0,0,0,0,0,0,0,0,0,0,1.286111111,0,0,0,0,0,0,0,0,0,0,0,3.944444444,0,0.305555556,0,0,0,0.439814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.713888889,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0.713888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.972222222,0,0.305555556,0,0,0,0.439814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.713888889,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0.713888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.972222222,0,0.305555556,0,0,0,0.439814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.143518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.83333333,2.566666667,0.713888889,8.143518519,0.2625,0.305555556,2.038199074,1.194444444,2.143518519,4.287037037,1.194444444,2.143518519,4.287037037,2.33333,0.46667,0,0.03333,0.48444,0.85333,0.41765,0.48444,0.76111,0.0668,0,-0.0668,0.09222,0.54687,0.16742,0,0.57143,0.21429,0,2.25,0.45,2.25,0.45,0,0,-2.25,-0.45,0,0,3.71082,0.74216,4.43249,0.72167,0.14433,1.94148,0.3883,2.27005,0.32857,0.06571,0.14395,0.02879,0.14395,0.02879,0,4.01,1,1,1,1,1,1,1,1.158938532,1.871602261,2.606238929,2.606238929,2.085320183,0.789230611,17.38407799,28.07403392,39.09358393,39.09358393,31.27980274,11.83845916,0.296639618,0.479051618,0.667087768,0.667087768,0.533754435,0.202009908,2.747952063,2.035288334,1.300651667,1.300651667,1.821570413,3.117659985,0.304394667,0.491575464,0.684527443,0.684527443,0.547708376,0.207291053,10.66110191,15.77621224,16.51659746,16.51659746,10.26557251,0.795406366,18.1875248,14.100286,14.32892941,14.32892941,11.20341694,3.433086801,5,2.25,4,5,0,3,1.79,0.7309,0.5,1,2,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,2.392,4,2,0,0,0,0,0,0,0,15,1.609437912,1.609437912,1.098612289,0,0,0,0,0,0,0,2.772588722,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,4,1,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,20.23,86.5306239,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,74.07316494,4.938210996,8.696801932,1.739360386,2.329115249,2.329115249,0,18,2,0.579,16,1.209285714,2.096561651,2.851352431,3.344286374,3.468316485,0,0,0,0,0,76.07321488,76.80543541,64.02003241,16.71516709,3.524031521,0,0,0,0,0,256.146358,302.2976243,289.843852,158.2971691,107.8082632,0,0,0,0,0,9.195663069,15.50505884,20.77460662,24.56294982,23.30175944,0,0,0,0,0,1.87702597,2.418954685,2.571443123,1.689597865,1.542058267,0,0,0,0,0,178.755922,334.709255,468.0768022,612.1121639,641.3529409,0,0,0,0,0,3.401261905,4.757655256,6.980042179,7.204908131,3.468316485,0,0,0,0,0,0.417144579,0.545917879,0.609531284,0.445465187,0.355155608,0,0,0,0,0,306.9418817,165.8276765,12.0155002,136.7047763,-73.85579084,-19.05180645,170.2371054,239.6834673,31.06730664,0.691861138,0.37378322,0.027083491,0.308138862,-0.166474354,-0.042943649,136.17374,73.56889447,5.330636506,60.64861711,-32.76587478,-8.452270257,0.38821531,0.731956727,5.298868697,26.28591895,394.0855058,49.56115211,0.888286881,0.111713119,283.9246063,16.8500625,6.572556742,389.1388631,19.72660293,7.300762184,426.4238458,20.65003259,7.526859815,1.200879612,1.130580617,179.7098287,135.8239085,65.28876922,1.323108948,2.752538161,2.080356394,3.14789717,2.359935319,4.338528573,0.83840995,3.224442391,3.228337687,3.497879681,9.887623472,1.883384873,3.056374894,1.563542795,0.159719705,1.99E-19,5.17E-59,2.60E-120,2.51E-203,4.69E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290510157,3.355246454,0.30032813,3.453836287,0.068989824,0.115949819,0.01648176,0.016570317,2.22E-20,5.78E-60,2.90E-121,2.81E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.81835312,3.119019887,0.72417378,4.105063624,0.177692025,0.41970631,0.120990106,0.029454953,3.85E-20,1.00E-59,5.03E-121,4.87E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.266568655,3.354876731,3.780347879,9.642362681,1.702170816,2.780255982,1.411428362,0.196137426,2.50E-19,6.50E-59,3.26E-120,3.16E-203,5.89E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.139201109,3.029259643,0.941304826,4.673280019,0.330006215,0.716651796,0.25109004,0.030229649,3.81E-20,9.92E-60,4.98E-121,4.82E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.074611356,3.30855682,4.758304456,12.46711971,2.719218591,4.219097229,2.280176567,0.233246253,2.91E-19,7.56E-59,3.79E-120,3.67E-203,6.85E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.029534004,3.5637013,4.192285817,8.245402508,0.823038935,1.431948665,0.622124614,0.307362039,4.09E-19,1.06E-58,5.34E-120,5.17E-203,9.64E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.717650828,1.330743151,0.532917763,0.479614999,0.371579814,0.489665089,0.470013718,0.403402704,3.581311742,3.910295374,8.709724998,0.27679222,1.363081512,1.814206572,0.739375104,0.144880377,0.672311315,0.273998704,0.598891541,0.151810169,0.029692784,2.698462052,1.711343048,4.60414462,0.508466973,0.780394495,1.53548206,1.044634718,0.314866623,0.530394081,0.360843077,0.408940468,0.297255016,0.143009104,2.894983401,2.416410525,5.816445616,0.336855737,0.849204588,1.779086881,1.296677832,0.511992006,0.495877235,0.361417435,0.530991562,0.450440279,0.37051687,3.587756719,3.881669465,8.650541831,0.285942005,1.351948712,1.482617035,1.163829847,0.392956045,0.487798778,0.382913972,0.367461028,0.361230219,0.224140046,3.039402927,2.765451257,6.482905324,0.306069125,0.952831293,1.762423391,1.357443506,0.555637128,0.479505227,0.36932173,0.515392247,0.48907746,0.436773037,3.675504024,4.125904068,9.130708903,0.273240436,1.441242744,1.778451708,1.300962438,0.51303564,0.495052628,0.36213796,0.529739673,0.452957425,0.371928684,3.592449786,3.893548076,8.673007842,0.285785883,1.354625782 +UMLYSI0347,L,ethyl isobutyrate,CCOC(=O)C(C)C,saturated esters,C6H12O2,97-62-1,7342,PubChem,,26.1,0,0.9959,0.99181681,31.3688,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1621.430308,1511.675147,932.521344,508.440578,160.526016,18.289152,0,3346.887898,3979.09551,4899.824225,4750.067029,3689.644434,2761.554813,1843.095563,559.5073998,0,152.568096,145.6753,259.389256,292.874708,268.423752,156.578312,186.188544,120.932352,0,23.35516286,28.53615172,36.92210936,35.87331513,27.87557381,23.66095011,20.03172529,8.003032287,0,3350.680532,2804.677982,5515.919437,6308.95423,5709.300425,3322.692514,4611.235353,3328.517736,0,92.05555556,55.63888889,97.83333333,116.1666667,117.8333333,54,39,18,0,69.4856748,68.35965826,47.68912671,39.78092492,28.25822255,24.2114561,5.945408,1.016064,0,167.3443949,209.4260795,144.1124772,125.0017639,111.8074071,131.5026102,68.26279863,31.08374443,0,7.6284048,7.667121053,7.629095765,7.707229158,8.134053091,7.456110095,6.895872,6.718464,0,1.167758143,1.501902722,1.085944393,0.944034609,0.844714358,1.12671191,0.741915752,0.444612905,0,167.5340266,147.6146306,162.2329246,166.0251113,173.0091038,158.2234531,170.7864946,184.917652,0,4.602777778,2.928362573,2.87745098,3.057017544,3.570707071,2.571428571,1.444444444,1,0,0.265050948,-0.169544357,0.046812119,0.066241071,-0.077778716,-0.014331584,0.005248575,0.010827416,0,715.056216,-13.739645,163.134436,8.082683,-477.4752,-440.557582,-11.6928,414.72,0,931.2646053,-148.2416011,14.65790436,-113.5411341,-18.13720717,-544.823367,-183.3018537,527.7549561,0,1.9334688,0.00145024,0.78334624,-0.41053792,-1.73169072,-0.37282624,0.34546032,0.41806368,0,4.097118945,-1.072153629,-0.37144502,-1.232273714,1.679403061,-1.716668431,-1.115611506,1.780189767,0,23.01673804,-6.548761719,-2.425366892,-8.182040188,11.44533947,-8.189057442,-6.415438516,8.806956266,0,37.60555556,-2.083611111,10.82333333,-0.378333333,-29.09916667,-9.2775,3.6075,7.605,0,0.013252547,-0.008923387,0.001376827,0.001743186,-0.002356931,-6.82E-04,1.94E-04,6.02E-04,0,35.7528108,-0.723139211,4.798071647,0.212702184,-14.46894545,-20.97893248,-0.433066667,23.04,0,46.56323026,-7.80218953,0.431114834,-2.987924583,-0.549612338,-25.94396986,-6.788957544,29.31971978,0,0.09667344,7.63E-05,0.023039595,-0.010803629,-0.052475476,-0.01775363,0.012794827,0.02322576,0,0.204855947,-0.056429138,-0.010924854,-0.032428256,0.050891002,-0.081746116,-0.041318945,0.098899431,0,1.150836902,-0.344671669,-0.07133432,-0.215316847,0.346828469,-0.389955116,-0.237608834,0.489275348,0,1.880277778,-0.109663743,0.318333333,-0.00995614,-0.881792929,-0.441785714,0.133611111,0.4225,0,-0.673333731,0.1038915,0.131535925,-0.177847376,-0.05149624,0.01466825,0.045389246,0,-0.02022608,0.134201243,0.005949244,-0.404693928,-0.586777151,-0.012112801,0.644424857,0,-0.167561174,0.009258697,-0.064169186,-0.01180357,-0.557177191,-0.145800828,0.629675382,0,7.90E-04,0.238323942,-0.111753854,-0.542811721,-0.183645378,0.132351002,0.240249649,0,-0.275457653,-0.053329443,-0.158297848,0.248423356,-0.399041946,-0.20169756,0.482775496,0,-0.299496539,-0.061984735,-0.187095884,0.301370653,-0.338844814,-0.206466123,0.425147427,0,-0.058323161,0.169301226,-0.005295037,-0.4689695,-0.234957685,0.071059241,0.224700842,0,1.65769843,0.960033303,1.38361799,1.795254293,0.538843674,0.10090791,8.29E-05,0,1.04922138,0.856572671,1.013240353,1.565503219,1.498822317,0.714863506,0,0,1.505949528,1.026726295,1.004350278,0.78934733,1.652652529,1.020695904,0,0,0.713221749,0.731396338,1.305110794,2.494926625,0.869342584,0.051789934,0,0,1.749688453,1.117530992,1.095188161,0.495211814,1.561787782,1.037154898,0,0,1.787392882,1.13157774,1.13323644,0.479855679,1.504309691,1.002858016,0,0,0.620475698,0.519485457,1.033387502,2.704206342,1.381402613,0.112276555,0,0,30.46551413,15.48275707,23.14295073,30.84051413,3.855064267,15.48275774,0.5,0.031417193,0.003927149,-2.768319987,99.19679351,12.39959919,3.677684552,30.47787137,15.48820126,23.15196843,30.85176974,3.856471217,15.48820193,0.498531158,0.031726783,0.003965848,-2.760475265,98.15140954,12.26892619,3.669209025,41.51923056,20.3606208,31.58675723,40.92073884,5.115092355,20.36062081,-0.797988956,0.204227304,0.025528413,-1.270817336,28.00879518,3.501099398,2.66601486,30.49084083,15.49391522,23.16143448,30.86358304,3.857947879,15.49391588,0.4969896,0.032051321,0.004006415,-2.752333502,97.08544365,12.13568046,3.660473163,53.33733612,25.5863738,40.96814554,51.71389472,6.46423684,25.5863738,-2.164588529,0.279081393,0.034885174,-1.021001447,25.38243063,3.172803828,2.587245782,31.76117611,16.05372224,24.09597649,32.02087739,4.002609674,16.05372261,0.346268372,0.061972567,0.007746571,-2.224850767,54.19204362,6.774005453,3.194027281,31.27191052,15.91341684,24.02488893,31.81982719,3.977478399,15.91341736,1.095833333,0.172021343,0.021502668,-1.408109376,28.19755492,3.524694365,2.671388215,0,11.89,15.99591765,-0.315728775,0.264047998,4.193307406,7.259440999,7,19,18,18,6,1,1,0,0,1,15.992484,3.571773866,3.112761874,2.688972338,2.333552793,1.90531352,1.186667561,0.963744163,0.083923071,1.804565464,1.636371493,1.249629723,0.971031633,0.756841955,0.260672548,0.083923071,0.083923071,3.481949602,3.104884486,2.561003521,2.405454588,1.858030292,1.208978528,0.604225852,0.270913902,1.790405834,1.577275651,1.134540686,1.046144497,0.684249171,0.20774331,0.270913902,0.270913902,3.652279204,3.312015999,2.855178221,2.704236987,2.247195646,1.667920597,1.226724651,0.943918427,1.588141808,1.309680816,0.76031856,0.703160795,0.243420256,0.320088628,0.943918427,0.943918427,3.472136718,3.120842259,2.524166644,2.457539916,1.892578308,1.257252107,0.45959235,0.399277246,1.791219511,1.538087798,1.076088243,1.058262671,0.627137893,0.136446917,0.399277246,0.399277246,3.672376108,3.384537726,2.883535139,2.838982085,2.370313734,1.832112989,1.208936353,1.207644823,1.555831877,1.237735083,0.676909098,0.631337262,0.110309425,0.478324873,1.207644823,1.207644823,4.74985247,3.358740502,3.255880593,2.612600818,2.504230588,1.677528965,1.390027909,0.571428571,1.643513218,1.414006921,0.898315104,0.58772056,0.397257681,0.249094496,0.571428571,0.571428571,0,0,1,0,0,4,0,1,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.336787657,0,0.048112522,0,1.207106781,0.666666667,0.666666667,0.365947996,0.185395406,0.185395406,6.568914101,3.680739213,3.009975955,1.882088123,0.788675135,0.333333333,0,0,0.821114263,0.525819888,0.376246994,0.268869732,0.197168784,0.166666667,0,0,5.600953631,2.847405879,1.906748834,0.758000987,0.308925565,0.166666667,0,0,0.700119204,0.406772268,0.238343604,0.108285855,0.077231391,0.083333333,0,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.2055,31.471,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,54,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,1,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.1849537,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.181944444,0.5125,0,0,0,0,0,0,0,0,0,0,5.440740741,0,0.483148148,0,0,0,0.009212963,0,0,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,4.664351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.664351852,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368402778,0.5125,0,0,0,0,0,0,0,0,0,0,1.805833333,0,0.483148148,0,0,0,0.009212963,0,0,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,4.664351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,1.817453704,0,0.483148148,0,0,0,0.009212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,4.664351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21,2.625,0.555902778,10.52060185,0.243055556,-0.118055556,2.60383875,1.784722222,3.520601852,9.369907407,1.784722222,3.520601852,9.369907407,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.5,0.27273,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,6.05478,0.75685,9.01229,2.95751,0.36969,2.62717,0.3284,3.68073,1.05356,0.13169,0.23327,0.02916,0.23327,0.02916,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,1.933206219,2.695461844,3.00869497,2.946439345,2.67650216,25.90923688,38.66412439,53.90923688,60.17389939,58.92878689,53.5300432,0.299741647,0.447301801,0.623671145,0.696146466,0.681741871,0.619284287,3.026466251,2.388721876,1.626466251,1.313233125,1.37548875,1.645425935,0.299741647,0.447301801,0.623671145,0.696146466,0.681741871,0.619284287,12.01211119,20.06453515,22.34686572,21.56333241,22.59980713,16.71373201,29.38046565,20.04323714,18.17626446,19.26198137,18.27863607,14.84347485,8,3.9375,3.673469388,8,3,3,1.9,1.0284,0.814325285,1.190550789,3.14734519,0,0,0.816496581,0,1,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.426,0.519,0.065,3.13,8,7,4,2,0,0,0,0,0,36,2.197224577,2.397895273,2.397895273,1.791759469,1.098612289,0,0,0,0,0,3.784189634,1.194444444,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,5,0.666666667,2,1.111111111,0.375,0.16,0,0,0,0,0,0,0.285714286,0.138888889,0.053571429,0.04,0,0,0,0,0,0,0.518174603,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,26.3,127.2763612,4,3.433987204,4.110873864,4.844187086,5.556828062,6.289715571,7.01301579,7.744569809,8.471568013,9.202207389,71.66695279,2.708050201,0,3.850147602,0,5.176149733,0,6.577861358,0,8.011355109,8.288283045,116.0837296,5.804186481,14.49604135,1.812005168,5.21963085,5.21963085,0,70,7,1.21,30,1.230631579,2.107000092,2.874118976,3.599566323,4.73083798,5.311486034,6.035062637,0,0,0,94.58963281,111.3830256,123.5633239,114.596038,123.434637,33.63652295,6.132009883,0,0,0,279.0386343,326.8346689,379.4341783,437.3508254,647.1145974,378.0959155,187.5923446,0,0,0,9.500427541,16.20568638,22.24340932,29.15930085,35.22794678,36.7013802,40.54635106,0,0,0,1.953218228,2.410560489,2.819822293,3.270738075,5.491066688,4.064773173,2.68326673,0,0,0,180.0610686,338.2473209,474.267024,615.7440359,744.1612043,901.2315544,1115.989613,0,0,0,3.692675439,6.396272554,9.064912736,12.64790799,12.12198189,7.857663304,6.035062637,0,0,0,0.448387105,0.580726345,0.71603302,0.847038049,1.223318633,0.894250162,0.617990414,0,0,0,391.5577673,285.4945413,14.29164738,137.4805287,-100.240485,-18.00858183,254.0772385,385.7350263,32.30022921,0.740131235,0.539648157,0.027014391,0.259868765,-0.189476803,-0.034040223,207.149054,151.0375457,7.560828776,72.73246466,-53.03105537,-9.527229444,0.362104972,0.432975078,1.639830682,5.980359742,473.418607,55.619689,0.894866422,0.105133578,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,1016.630404,31.88464213,10.05513019,1.567502935,1.567502935,509.2722642,421.9389392,123.4794408,1.206980956,4.124348644,3.417078474,4.018215915,4.210482197,7.33198478,0.741364631,3.360032699,4.293005721,3.556016475,10.61680876,4.27625995,5.963681221,4.661572895,9.484771417,3.081143857,2.928452472,2.941938292,4.701280485,0.742475872,0.118865545,8.33E-20,1.13E-59,2.94E-121,1.48E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0.298491782,4.443993353,0.298600807,5.988401972,0.186002517,3.233710915,2.11845931,0.667490622,0.303211339,0.063893388,0.91095373,0.177339503,0.005229333,8.37E-04,5.87E-22,7.94E-62,2.07E-123,1.04E-206,1.0109397025365E-311,0,0,0,0,0,0,0,0,0,0,0,0.91615042,4.162909343,0.693727701,5.642578997,0.466543755,2.828545205,1.82700548,1.659002629,0.704330614,0.326095851,1.138970847,0.715597014,0.054493565,0.008724058,6.12E-21,8.27E-61,2.16E-122,1.09E-205,1.05347711390414E-310,0,0,0,0,0,0,0,0,0,0,0,3.176711882,4.443571971,3.829780899,11.51129157,4.157414309,6.559954709,5.057911685,9.440244039,2.852385243,2.638991053,2.751607616,4.288065801,0.661532644,0.10590706,7.43E-20,1.00E-59,2.62E-121,1.32E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,1.342655413,4.056105657,0.903970859,5.685471778,0.74710354,2.751729859,1.804856992,2.381573343,1.028950309,0.601851036,1.350888045,1.199460439,0.11836727,0.018949821,1.33E-20,1.80E-60,4.69E-122,2.36E-205,2.2882930639938E-310,0,0,0,0,0,0,0,0,0,0,0,4.057749124,4.388467814,4.893715989,12.70686904,6.20363933,7.516583096,6.076235487,13.06789634,3.994778457,4.129744309,3.721579775,6.385944029,1.082831233,0.173354226,1.22E-19,1.64E-59,4.29E-121,2.16E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,2.084250999,4.095672528,2.738524125,14.80522293,2.385683933,10.18955216,8.138806955,8.133420654,1.553953148,1.056676457,2.022852484,2.14768827,0.242441162,0.038813239,2.72E-20,3.68E-60,9.60E-122,4.83E-205,4.68690796178273E-310,0,0,0,0,0,0,0,0,0,0,0,5.432907373,1.247394854,0.504175724,0.756200716,0.17362359,0.592301574,0.467153445,0.419007113,7.18447795,10.14502691,20.746294,0.634301075,1.478462132,3.481514753,0.963634447,0.155700551,0.756711247,0.209447059,0.242637785,0.275272549,0.036958693,4.600849752,4.047019726,9.170230432,0.635066871,0.554869026,4.54672931,1.002375069,0.294532393,0.778065011,0.171532747,0.414825769,0.299536183,0.142194862,5.843636772,6.191919098,13.37789553,0.667097517,0.856556814,5.218103179,1.247819914,0.484767493,0.750731616,0.179524595,0.546180882,0.464815471,0.384649752,6.950690586,9.645722389,19.7528568,0.626097425,1.395646105,5.01438099,1.049249333,0.362227017,0.780344275,0.163285501,0.504824014,0.331278273,0.217701277,6.42585734,7.457746634,15.78940199,0.670516413,1.053803563,5.493998725,1.283272169,0.528570719,0.752000798,0.175650149,0.605629215,0.494011518,0.459844162,7.305841612,10.6325626,21.66498406,0.628001198,1.559484896,5.266103342,1.267260586,0.489089092,0.749895133,0.180458393,0.556208795,0.479099826,0.391420317,7.02245302,9.868922242,20.15532365,0.6248427,1.426728938 +UMLYSI0348,L,2-ethylbutyric acid,CCC(CC)C(=O)O,saturated esters,C6H12O2,88-09-5,6915,PubChem,,25.9,1,-0.8579,0.73599241,28.4615,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1254.953543,1587.67268,1616.170936,1271.040301,306.637632,15.24096,0,0,3346.887898,4067.159924,5253.36334,5598.888896,4697.724238,2399.396409,466.2561665,0,0,152.568096,145.535468,252.987152,327.206272,325.465876,278.090496,100.77696,0,0,23.35516286,29.4069354,40.86708482,44.16132371,37.35894342,22.43937679,6.669193573,0,0,3350.680532,2810.190739,5361.656798,7237.869312,7011.941914,6405.874134,2773.76478,0,0,114.0555556,59.22222222,108.5833333,113.6666667,149,110,15,0,0,69.4856748,66.05018647,46.69625529,36.73115764,30.26286431,8.517712,1.016064,0,0,167.3443949,214.0610486,154.5106865,127.2474749,111.8505771,66.64990026,31.08374443,0,0,7.6284048,7.659761474,7.440798588,7.436506182,7.749187524,7.724736,6.718464,0,0,1.167758143,1.547733442,1.201973083,1.003666448,0.889498653,0.623316022,0.444612905,0,0,167.5340266,147.9047757,157.6957882,164.4970298,166.950998,177.9409482,184.917652,0,0,5.702777778,3.116959064,3.193627451,2.583333333,3.547619048,3.055555556,1,0,0,0.319678578,-0.228068119,0.096057327,-0.012351717,0.037749652,-0.088511186,0.035284754,0,0,715.056216,-57.619609,71.052872,122.492728,-382.497299,-456.5568,345.6,0,0,931.2646053,-60.17718714,-155.109424,36.49274562,-538.6244437,-188.0097901,439.7957967,0,0,1.9334688,-0.13838176,1.01171264,-0.04257056,-0.85206608,-1.29381504,0.3483864,0,0,4.097118945,-0.201369953,-0.950557248,-0.527056415,-2.37927278,0.526205452,1.483491472,0,0,23.01673804,-1.03600506,-5.131201524,-4.120799453,-13.25406743,4.694574226,7.339130222,0,0,52.80555556,-3.923611111,24.875,-4.166666667,-16.375,-35.25,8.4375,0,0,0.015983929,-0.012003585,0.002825215,-2.81E-04,8.99E-04,-0.002458644,0.002352317,0,0,35.7528108,-3.032611,2.089790353,2.783925636,-9.107078548,-12.68213333,23.04,0,0,46.56323026,-3.167220376,-4.562041883,0.829380582,-12.82439152,-5.22249417,29.31971978,0,0,0.09667344,-0.007283251,0.029756254,-9.68E-04,-0.020287288,-0.035939307,0.02322576,0,0,0.204855947,-0.010598419,-0.027957566,-0.011978555,-0.056649352,0.014616818,0.098899431,0,0,1.150836902,-0.054526582,-0.150917692,-0.093654533,-0.315573034,0.13040484,0.489275348,0,0,2.640277778,-0.206505848,0.731617647,-0.09469697,-0.389880952,-0.979166667,0.5625,0,0,-0.750978391,0.176753508,-0.017562693,0.056231559,-0.153819757,0.147167631,0,0,-0.084821611,0.058451079,0.077865924,-0.254723429,-0.354717099,0.644424857,0,0,-0.068019773,-0.097975202,0.017811921,-0.275418854,-0.11215919,0.629675382,0,0,-0.075338692,0.307801751,-0.010008051,-0.209853788,-0.371759882,0.240249649,0,0,-0.051735958,-0.136474271,-0.058473064,-0.27653262,0.07135169,0.482775496,0,0,-0.047379939,-0.131137342,-0.081379501,-0.274211779,0.11331305,0.425147427,0,0,-0.078213683,0.277098741,-0.03586629,-0.147666642,-0.370857443,0.213045765,0,0,1.666248104,0.506116198,0.840221004,1.172861273,1.331337922,0.465018164,0,0,1.110587135,0.863957834,0.844222411,1.278158952,1.352661555,0,0,0,1.411385197,1.236500545,0.977297029,1.179855682,0.794101523,0,0,0,0.785543578,0.299982814,0.791127795,1.491289743,1.873096225,0,0,0,1.537152843,1.338197224,1.063322806,1.174565291,0.532706797,0,0,0,1.547882111,1.329547506,1.080398323,1.185589289,0.501481899,0,0,0,0.757496055,0.334235851,0.835242217,1.433531224,1.869016307,0,0,0,31.32971209,15.91485605,22.02820261,31.70471209,3.963089012,15.91485647,0.5,0.184101308,0.023012663,-1.353815269,107.9521788,13.49402235,3.745350672,31.3347381,15.91663463,22.03062859,31.70863646,3.963579558,15.91663505,0.498531158,0.183918995,0.022989874,-1.354607889,109.0792254,13.63490317,3.753659565,35.85732956,17.5296703,24.35599629,35.25883784,4.407354731,17.52967037,-0.797988956,0.01985063,0.002481329,-3.135615615,33.68487046,4.210608807,2.813639031,31.34001319,15.91850139,22.03317518,31.71275539,3.964094424,15.91850182,0.4969896,0.183727644,0.022965955,-1.355440651,110.3058381,13.78822976,3.762605483,40.7660502,19.30073084,27.21151219,39.14260881,4.892826101,19.30073085,-2.164588529,0.147199116,0.018399889,-1.532775265,30.05436752,3.75679594,2.722406394,31.85710166,16.10168501,22.28463334,32.11680294,4.014600367,16.10168536,0.346268372,0.164955059,0.020619382,-1.44166577,92.34747617,11.54343452,3.620446702,35.14992884,17.79771698,24.98773653,35.70051697,4.462564621,17.79771707,1.345238095,0.275830178,0.034478772,-1.030375919,36.39863303,4.549829129,2.875624976,0,11.99635523,15.99825889,-0.351063287,0.281720321,4.036119796,8.038253632,7,19,18,18,6,1,1,0,0,1,14.076484,3.594371757,2.987992645,2.902564078,2.093047049,1.730777296,1.598026915,1.032854186,0.083923071,1.87441616,1.563026335,1.221367854,0.827051764,0.769718516,0.414871544,0.101585381,0.083923071,3.550880383,2.950308951,2.833099164,2.093358436,1.695309721,1.367691497,1.082395452,0.270913902,1.840307011,1.473453684,1.275745635,0.831835653,0.630337185,0.348703626,0.117579191,0.270913902,3.688420473,3.155598408,3.114993359,2.433891358,2.090117344,1.96481888,1.580576889,0.943918427,1.663270324,1.195492746,0.956990798,0.405047033,0.162386152,0.231515949,0.448090517,0.943918427,3.553427925,2.985267979,2.794021402,2.111638838,1.765276817,1.322513436,1.115411336,0.399277246,1.825177148,1.415133181,1.312571833,0.788392766,0.536857124,0.344382612,0.068900554,0.399277246,3.721016785,3.252217518,3.128643082,2.546786178,2.26277616,2.02137991,1.749225069,1.207644823,1.624457842,1.104407163,0.933628815,0.305452455,0.004703131,0.356414341,0.589425185,1.207644823,5.002828295,3.975359923,3.418039962,3.106652036,2.411357606,1.874277641,1.423232866,0.6,1.750724761,1.283767308,0.844753579,0.397162369,0.253919238,0.186989052,0.531589875,0.6,0,0,1,0,0,2,2,1,0,0,0,0,0,0,0,0,0,0,0,0.5,0,0.166666667,0,0.197042195,0,0.026352314,0,1.138071187,1.304737854,0.333333333,0.486686021,0.465823742,0.052704628,6.568914101,3.718744015,2.820593172,1.991563832,1.231484176,0,0,0,0.821114263,0.531249145,0.352574147,0.248945479,0.246296835,0,0,0,5.347025718,2.947116221,1.851657674,1.334839412,0.637915987,0,0,0,0.668378215,0.421016603,0.231457209,0.166854927,0.127583197,0,0,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.5072,31.7078,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,43,1,0,2,1,1,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,1,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.724166667,0,18.53481481,-0.671296296,7.358673225,0,0,0,0,0,0,0,0,0.724166667,0,0,0,0,0,0,0,0,0,0,0,0,0,1.860555556,0.5125,0,0,0,0,0,0,0,0,0,0,3.782314815,0,1.483796296,0,0,0,-0.12962963,0,0,-0.671296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.373240741,10.16157407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.724166667,0,8.373240741,-0.671296296,7.358673225,0,0,0,0,0,0,0,0,0.724166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305625,0.5125,0,0,0,0,0,0,0,0,0,0,1.891157407,0,0.741898148,0,0,0,-0.12962963,0,0,-0.671296296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.373240741,10.16157407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.724166667,0,10.16157407,0,7.358673225,0,0,0,0,0,0,0,0,0.724166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,1.891157407,0,0.741898148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.373240741,10.16157407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23,2.875,0.724166667,10.16157407,0.305625,-0.671296296,2.38871,2.337962963,3.161574074,11.06962963,2.337962963,3.161574074,11.06962963,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.82593,0.11359,0,-0.11359,0.06574,0.51402,0.20027,0,0.45454,0.27273,0,5.5,0.6875,4,0.5,1.5,0.1875,-2.5,-0.3125,0,0,6.36773,0.79597,9.08078,2.71305,0.33913,2.84638,0.3558,3.71873,0.87235,0.10904,0.19527,0.02441,0.19527,0.02441,0,7.02,2,2,2,2,1,1,0.833333333,1.295461844,2.219240705,2.946439345,2.946439345,2.73034294,1.965957321,25.90923688,44.38481409,58.92878689,58.92878689,54.6068588,39.31914642,0.299741647,0.513483949,0.681741871,0.681741871,0.631741871,0.454879692,3.026466251,2.10268739,1.37548875,1.37548875,1.591585155,2.355970774,0.299741647,0.513483949,0.681741871,0.681741871,0.631741871,0.454879692,12.01211119,20.76770064,21.50058963,21.50058963,18.90743278,12.11017484,29.38046565,19.45752685,19.43960012,19.43960012,18.14302169,12.64403314,8,3.9375,2.8125,8,3,5,1.9,1.0284,0.25,2.309401077,1.632993162,0,0.5,2.828427125,0,1,0,0,0.5,0,0,0,0,0,0,0,0,0.591,0.429,0.422,0.469,0.137,3.641,8,8,5,0,0,0,0,0,0,36,2.197224577,2.397895273,2.397895273,2.079441542,0,0,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,2,4,1,2,1.111111111,0.625,0,0,0,0,0,0,0,0.285714286,0.138888889,0.078125,0,0,0,0,0,0,0,0.502728175,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,37.3,127.2763612,4,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,72.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.389132521,116.0837296,5.804186481,14.50113758,1.812642197,4.742759287,4.742759287,0,67,8,1.604,30,1.229578947,2.135758778,2.87567254,3.490270923,4.100973578,4.829032376,0,0,0,0,92.08966391,110.7475713,115.9076531,109.596022,34.18008251,4.906605952,0,0,0,0,288.1231014,354.7315549,388.6698313,409.3193939,277.9135468,150.1044082,0,0,0,0,9.432046034,16.00977947,21.49808346,27.13947557,31.29288223,32.44368017,0,0,0,0,2.040068737,2.702192362,3.005260025,3.235980323,2.644402385,2.147050112,0,0,0,0,179.4133939,333.3007572,470.0217915,578.3208605,724.7990218,892.9733285,0,0,0,0,3.863508772,7.206926316,7.73058572,12.58330718,11.78901175,4.829032376,0,0,0,0,0.454475163,0.615876037,0.714184308,0.821014928,0.689831065,0.494492915,0,0,0,0,291.4124656,237.2519143,8.459462204,206.1630255,-167.8465345,-30.55048266,85.24944012,405.0984488,39.00994486,0.58566483,0.476815918,0.017001364,0.41433517,-0.337328782,-0.061398689,144.9997007,118.0507378,4.20922106,102.5816686,-83.5163218,-15.20117141,0.321757115,0.406938289,0.667842606,12.60898481,411.9454273,85.63006371,0.827905383,0.172094617,550.3862609,23.46031246,8.195130268,673.8787456,25.95917459,8.767193385,1005.830022,31.71482338,10.01939576,1.531205601,1.20582466,406.0395691,299.3872358,173.3438296,1.356235405,2.34239413,1.727129465,3.866807565,3.220194404,6.42424645,0.994987148,4.005727426,5.068461784,3.718589379,15.85546742,9.755282111,3.184438922,6.231777847,10.52557199,3.122302769,4.292377187,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.378444005,4.884655446,0.272202732,7.24335052,2.167694169,0.613090302,2.832761607,0.469477672,1.077775507,0.06730142,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,1.019639194,4.854557719,0.843936786,7.399805562,2.271397337,0.859521041,2.401516864,1.616273275,1.243002429,0.410275831,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.074778182,5.069972232,3.601056181,16.17922454,9.649998291,3.510150931,6.983729378,9.98871862,3.325608242,3.84995559,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.408586667,4.855863369,1.240084168,7.84671416,2.674517122,1.002678495,2.363659727,2.571259827,1.325387695,0.799953547,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,5.071315908,5.178190169,4.761077512,19.80888576,13.5420826,4.19567328,7.907568952,14.45816436,4.124750396,6.139117135,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,3.993814798,4.546652291,2.900239326,17.35525895,9.987613509,4.939456148,13.41571105,6.926912993,4.421350809,1.718839949,0.058521852,0.405615798,2.89E-15,3.97E-51,1.05E-108,5.38E-188,5.30E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.610641021,1.052058361,0.633690572,0.681717368,0.198636877,0.521445706,0.379160978,0.469394909,5.296389954,6.753313712,14.45684389,0.522576053,1.370001592,2.294807133,1.43067894,0.287530244,0.571840968,0.356509624,0.213702807,0.713846672,0.091329975,4.013016317,4.354322155,9.311338284,0.392525888,1.018879454,2.950466264,1.051366219,0.397786084,0.67061865,0.238967584,0.348308913,0.38074229,0.18440333,4.399618567,4.693893831,10.32745301,0.505927975,0.913454533,3.48296209,1.146300978,0.620631303,0.663434699,0.218347436,0.485600505,0.451285512,0.446621012,5.249894371,6.86558842,14.59336745,0.495152048,1.38350703,3.254670338,0.922615746,0.460809988,0.701725511,0.198921224,0.423374483,0.291953844,0.249707992,4.638096072,4.927745251,10.94956621,0.552588267,0.965036319,3.666422395,1.081951887,0.664024542,0.67741172,0.199902469,0.537794906,0.401043424,0.514394074,5.412398824,7.119929688,15.16644257,0.51611758,1.453232404,3.491475568,1.157302525,0.620307328,0.66263408,0.219640114,0.487987905,0.460138574,0.44684179,5.26908542,6.924364606,14.69992181,0.493951119,1.394968269 +UMLYSI0349,L,1-propoxy-2-propanol,CCCOCC(C)O,other multi-oxygen compounds,C6H14O2,1569-01-3,15286,PubChem,,25.8,0,-0.827,0.683929,31.715,21.499102,0,0,22,8,14,0,6,0,2,0,0,0,0,0,0,0,1391.745624,1327.067587,1497.048351,1267.810589,843.932256,688.541831,506.009998,144.307296,12.192768,3409.055386,4175.845757,5121.813045,4658.118402,3603.290569,3106.605663,2534.97974,1391.118395,373.0049332,166.005024,162.2641,291.578844,345.647396,289.864776,184.014884,215.18848,152.140032,80.621568,24.24438867,30.18446402,39.32966934,38.10834333,30.58109707,26.24397374,23.44702555,14.28985608,5.335354858,3720.515836,3142.984807,6187.019945,7635.844064,6785.14486,4030.522174,5140.414147,3661.504836,2219.011824,78.77777778,56.75,94.16666667,122.25,72.66666667,55.33333333,60,43,12,63.26116473,63.19369462,39.39600924,28.17356864,21.63928862,27.54167324,16.86699993,6.871776,1.016064,154.957063,198.8497979,134.7845538,103.5137423,92.39206588,124.2642265,84.49932466,66.24373311,31.08374443,7.545682909,7.726861905,7.673127474,7.681053244,7.432430154,7.36059536,7.172949333,7.244763429,6.718464,1.102017667,1.437355429,1.034991299,0.846852074,0.784130694,1.04975895,0.781567518,0.680469337,0.444612905,169.1143562,149.6659432,162.8163143,169.6854236,173.9780733,161.220887,171.3471382,174.3573732,184.917652,3.580808081,2.702380952,2.478070175,2.716666667,1.863247863,2.213333333,2,2.047619048,1,0.381374176,-0.143963389,-0.106856913,0.119621299,-0.07899685,-0.011947986,0.038596672,-0.027024584,0.019884662,756.9471251,-35.00554913,-138.5387422,-187.6577236,75.2501157,-225.3834966,36.83565142,-132.469686,228.4958678,984.5731867,-131.9222333,-254.4673374,-266.2627831,363.7043262,-345.1181423,-5.937739835,-143.0567641,290.7740805,1.975697455,-0.112005388,-0.445545421,0.131124661,-0.492491306,-0.155938744,0.044335471,-0.187666116,0.230338116,4.276936093,-0.889011361,-1.424003819,-0.793195731,2.017998312,-1.373494509,-0.250381568,-0.407200179,0.980820808,23.90632958,-5.411859017,-8.448585116,-3.52146026,11.40934984,-7.214982469,-1.739244873,-1.878700394,4.852317502,28.27272727,-4.636593205,-2.435720845,-0.706841139,-1.438016529,-3.941230487,1.597796143,-5.760330579,3.184573003,0.01733519,-0.006855399,-0.002812024,0.002658251,-0.00202556,-4.78E-04,0.001286556,-0.001286885,0.001657055,34.4066875,-1.666930911,-3.645756373,-4.170171635,1.929490146,-9.015339864,1.227855047,-6.308080283,19.04132231,44.75332667,-6.282011109,-6.696508879,-5.916950736,9.325751954,-13.80472569,-0.197924661,-6.812226864,24.23117337,0.08980443,-0.00533359,-0.01172488,0.002913881,-0.012627982,-0.00623755,0.001477849,-0.008936482,0.019194843,0.194406186,-0.042333874,-0.037473785,-0.017626572,0.051743546,-0.05493978,-0.008346052,-0.019390485,0.081735067,1.086651345,-0.257707572,-0.222331187,-0.078254672,0.292547432,-0.288599299,-0.057974829,-0.089461924,0.404359792,1.285123967,-0.220790153,-0.064097917,-0.015707581,-0.036872219,-0.157649219,0.053259871,-0.274301456,0.265381084,-0.39546146,-0.162214782,0.153344216,-0.116846731,-0.027569321,0.074216421,-0.07423541,0.095589098,-0.048447875,-0.105960691,-0.121202357,0.056078928,-0.262022895,0.035686523,-0.183338785,0.553419224,-0.140369702,-0.149631533,-0.132212534,0.208381201,-0.308462559,-0.004422569,-0.152217218,0.541438485,-0.059391167,-0.130560147,0.032446967,-0.140616473,-0.069457039,0.016456304,-0.099510478,0.213740492,-0.217759914,-0.192760248,-0.09066878,0.266162037,-0.282603046,-0.042931001,-0.099742118,0.420434499,-0.237157552,-0.204602137,-0.072014518,0.269219224,-0.265585922,-0.053351822,-0.082328084,0.372115485,-0.171804556,-0.049876836,-0.012222619,-0.028691566,-0.122672383,0.041443373,-0.213443577,0.206502322,1.341503449,1.254431905,1.125830056,1.220370596,0.711405781,0.571830945,0.908056514,0.241162475,1.219570409,1.184696039,1.161108647,0.866605466,1.198658547,0.774966334,1.005124569,0,1.581116417,1.229842786,1.028181508,0.600076488,1.430379531,0.871866182,0.927424035,0,0.989408573,1.306302235,1.305158537,1.210822418,0.725371143,0.587670545,0.898301507,0,1.795919825,1.305966204,0.968693362,0.498960025,1.461225682,0.888248028,0.830011559,0,1.835229542,1.331228009,0.962285655,0.493609948,1.442318577,0.881779372,0.80040606,0,1.116112897,0.988181869,1.339269977,0.628493693,1.146334405,0.870685959,1.450160772,0,35.83095543,18.16547772,28.49609301,36.20595543,4.525744429,18.16547776,0.5,0.084251019,0.010531377,-1.979163691,36.85295589,4.606619486,2.885548664,35.84597129,18.17225123,28.50773676,36.21986966,4.527483708,18.17225127,0.498531158,0.084214974,0.010526872,-1.979506033,36.84020497,4.605025621,2.88527182,49.19254239,24.19727672,38.98656517,48.59405067,6.074256334,24.19727672,-0.797988956,0.06092691,0.007615864,-2.238464262,31.02017488,3.87752186,2.747710236,35.86173086,18.17936023,28.51995771,36.23447306,4.529309132,18.17936027,0.4969896,0.084177175,0.010522147,-1.979865179,36.82685065,4.603356331,2.884981773,63.38224045,30.60882596,50.26646081,61.75879905,7.719849881,30.60882596,-2.164588529,0.04704449,0.005880561,-2.445329222,29.03856587,3.629820734,2.694899843,37.40416682,18.87521759,29.71849277,37.6638681,4.707983512,18.87521762,0.346268372,0.080632041,0.010079005,-2.014287346,35.64623731,4.455779664,2.858914877,33.69040318,17.40158387,27.32719825,34.52497659,4.315622074,17.40158398,1.11276455,0.068381109,0.008547639,-2.146126944,42.02010913,5.252513641,2.990518634,0,11.99635523,15.99825889,-0.415124385,0.099894771,4.339776071,6.388852897,7,21,21,21,7,0,0,0,0,0,17.220898,3.459698479,3.213039519,2.647369864,2.205182001,2.033886385,1.452204058,0.981969217,0.68669772,1.786287495,1.687032788,1.254466604,1.088483048,0.684140152,0.634104996,0.294012718,0.083923071,3.392534448,3.21786413,2.585108464,2.257854177,1.839460159,1.507959938,0.994682024,0.497052902,1.769987265,1.634741538,1.203682195,0.980469417,0.70603734,0.505469444,0.166133522,0.270913902,3.588586389,3.39391775,2.884534964,2.559555267,2.335219182,1.946829819,1.54119961,1.134614274,1.534623381,1.398824934,0.845423777,0.603183463,0.165322515,4.20E-04,0.431255755,0.943918427,3.388730441,3.236314525,2.593965551,2.306348539,1.807142267,1.571588631,1.048508906,0.439975516,1.762943526,1.599111832,1.169729122,0.911958616,0.708526001,0.413990043,0.070895475,0.399277246,3.625733153,3.460518825,2.964656061,2.687554676,2.409471283,2.121082609,1.733807459,1.208515408,1.490246433,1.333996237,0.758622753,0.477792677,0.075682922,0.172892773,0.624394682,1.207644823,4.344581208,3.570363173,3.151072665,2.899040775,2.393356425,1.816620927,1.425993904,1.211303847,1.584966779,1.464772974,0.904364838,0.754918977,0.254237394,0.11843461,0.337159258,0.610169492,0,0,0,0,0,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.182574186,0,0,0,0.288675135,0.204124145,0.144337567,0.074535599,0.052704628,0.0372678,6.405777394,3.77005561,2.889628766,1.385027805,0.802585858,0.433012702,0.288675135,0,0.800722174,0.538579373,0.412804109,0.277005561,0.200646464,0.144337567,0.144337567,0,5.554132499,3.0282545,1.923936323,0.707515109,0.398226658,0.203934466,0.120601133,0,0.694266562,0.432607786,0.274848046,0.141503022,0.099556665,0.067978155,0.060300566,0,11.22239284,21.87618354,20.77647059,21.12,12.55036048,170.7641329,0.510108765,0.994371979,0.944385027,0.96,0.570470931,7.762006042,0.7938,32.7908,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,65,1,0,2,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.639591837,0,13.64820673,0,0,3.194257842,0,0,0,0,0,0,0,0.639591837,0,0,0,0,0,0,0,0,0,0,0,0,0,2.607630385,0,0,0,0,0,0,0,0,0,0,0,3.761608088,0,2.241527778,0,0,0,-0.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.653993764,0,4.994212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.639591837,0,4.994212963,0,0,3.194257842,0,0,0,0,0,0,0,0.639591837,0,0,0,0,0,0,0,0,0,0,0,0,0,0.282908163,0,0,0,0,0,0,0,0,0,0,0,1.717916667,0,0.466111111,0,0,0,-0.318009259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.653993764,0,4.994212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.639591837,0,8.653993764,0,0,3.194257842,0,0,0,0,0,0,0,0.639591837,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561111111,0,0,0,0,0,0,0,0,0,0,0,2.043691421,0,1.020555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.653993764,0,4.994212963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.33333333,2.416666667,0.639591837,8.653993764,0.152777778,-0.318009259,2.570277148,1.651342593,2.653993764,8.383796296,1.651342593,2.653993764,8.383796296,3.66666,0.45833,0,0.04167,0.51515,0.89167,0.42308,0.51515,0.82593,0.09207,0,-0.09207,0.06574,0.51402,0.20027,0,0.36364,0.13636,0,4.25,0.53125,4.25,0.53125,0,0,-4.25,-0.53125,0,0,6.46607,0.80826,8.40872,1.94265,0.24283,2.97952,0.37244,3.77005,0.79052,0.09882,0.14395,0.01799,0.14395,0.01799,0,7.02,2,2,2,2,1,1,1,1.240670532,2.090989967,3.299896391,3.663532755,3.322179346,2.716989137,27.2947517,46.00177927,72.59772061,80.59772061,73.0879456,59.77376101,0.278212705,0.468891587,0.739981386,0.821524595,0.744978201,0.609268034,3.218761087,2.368441652,1.159535227,0.795898864,1.137252273,1.742442482,0.282463768,0.476056206,0.751288232,0.834077413,0.756361398,0.618577592,11.58313238,19.55336195,22.77030537,22.13749857,19.41772154,16.76917973,29.24518972,19.25663026,16.43085582,16.52618684,20.27730625,18.65373586,8,5.142857143,7.2,8,0,3,1.9,1.0714,0.166666667,2.294173474,0.894427191,0,1.650963624,1.310370697,0,0,0,0,0,0.333333333,0,0,0,0,0,0,0,0.259,0.614,0.621,0.528,0.233,3.678,7,5,4,3,2,0,0,0,0,36,2.079441542,2.079441542,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,7,1,0,3,6,1,1.5,0.444444444,0.25,0.16,0.111111111,0,0,0,0,0,0.214285714,0.063492063,0.05,0.04,0.037037037,0,0,0,0,0,0.404814815,20.47921697,32.49588583,40.95843393,5.119804242,20.47921697,0.07348347,0.009185434,-2.088555839,33.63979432,4.204974289,2.812567777,29.46,129.9128199,4,3.36729583,3.970291914,4.65396035,5.283203729,5.973809612,6.610696045,7.303170051,7.942717541,8.635687085,68.74083216,2.708050201,0,3.761200116,0,4.94875989,0,6.196444128,0,7.475905969,7.807510042,118.0993797,5.368153622,14.66595917,1.833244896,5.240061775,5.240061775,0,79,5,0.552,28,1.224238095,2.104836389,2.831864598,3.499618691,4.778281056,5.485449586,6.64476457,7.454179188,0,0,89.40323074,91.97676404,91.23751437,93.82757843,147.1157594,107.9279257,48.23305128,7.573923122,0,0,266.2250568,302.2842151,314.0475237,373.8557854,637.1952133,510.3902275,458.9957813,231.7038008,0,0,9.526009392,16.25444926,21.87700524,26.36208882,35.20942216,39.46987405,48.25245528,50.08063452,0,0,1.868517472,2.273571088,2.492065636,3.032214701,5.286009957,4.593281083,4.669174152,3.314224262,0,0,181.3031899,339.7424781,478.2705701,600.6982144,762.8066111,928.5866725,1151.588876,1378.409313,0,0,3.407099206,5.451849675,7.93543825,7.002904592,10.68316651,11.38769217,13.87100556,7.454179188,0,0,0.433862457,0.557583814,0.630204057,0.732775287,1.196563936,1.06769653,1.113530223,0.763307949,0,0,388.3002629,349.7602195,18.75844409,183.7859109,-165.5445713,-22.3463653,204.514352,515.3047907,41.1048094,0.678744358,0.611376809,0.032789543,0.321255642,-0.289369991,-0.039061187,222.1412117,200.0929857,10.73144651,105.1413786,-94.70576038,-12.78404663,0.233378106,0.433438359,7.104015161,13.14618147,501.2347265,70.85144736,0.876152491,0.123847509,541.3659733,23.26727258,8.150113405,685.3283744,26.17877718,8.816568194,890.6959734,29.84453004,9.621508392,2.319112679,2.319112679,738.8163129,693.1313839,79.02208454,1.065910923,9.349491565,8.771362941,4.274114743,4.338526665,8.600791147,0.982422101,4.340044796,4.942368971,6.077585163,14.28561093,5.376204971,4.23606647,6.297782727,8.563792226,1.915905734,2.858338148,4.598732542,1.912870389,4.589770254,0.214813565,0.763177555,1.521487749,2.40E-07,1.53E-35,1.89E-85,4.48E-157,2.05E-250,0,0,0,0,0,0,0,0,0,0.384135176,5.323362845,0.577034291,3.822655707,0.16291508,0.938852599,1.347580323,0.245315717,0.699951416,0.171348146,1.952086421,0.100464829,0.293881424,0.002025066,0.064042037,0.010715963,1.69E-09,1.08E-37,1.33E-87,3.16E-159,1.45E-252,0,0,0,0,0,0,0,0,0,1.120585406,4.614664709,1.242646902,4.563232502,0.647148541,1.267837946,1.447998913,1.013364569,0.56330048,0.598290479,2.376203837,0.263630081,0.854042876,0.016244515,0.206739565,0.111668593,1.76E-08,1.12E-36,1.38E-86,3.29E-158,1.51E-251,0,0,0,0,0,0,0,0,0,4.319606396,5.322015285,6.9093634,14.04642618,4.991310284,3.990425965,6.129774689,7.877656104,2.010278457,2.650849753,4.3956868,1.84957754,4.550112968,0.191451428,0.720373111,1.355618193,2.14E-07,1.36E-35,1.68E-85,3.99E-157,1.83E-250,0,0,0,0,0,0,0,0,0,1.58463578,4.345360577,1.498039839,5.40853582,1.117694681,1.581327843,1.80227679,1.778159492,0.579373491,0.927457573,2.701828457,0.409322418,1.247584807,0.034680324,0.304700192,0.242559105,3.82E-08,2.44E-36,3.01E-86,7.14E-158,3.27E-251,0,0,0,0,0,0,0,0,0,5.421862825,5.182903797,8.449340173,18.51407933,7.582625192,5.565529001,8.426517267,12.08006989,2.556571978,3.675391195,5.397304447,2.693821139,6.191935364,0.313048086,0.921667539,2.218946891,3.50E-07,2.23E-35,2.75E-85,6.53E-157,2.99E-250,0,0,0,0,0,0,0,0,0,3.914733372,6.138091198,6.716922628,11.79003147,3.134557289,2.489453658,5.372232019,4.040809463,2.602600581,1.45412652,3.238942169,1.446096908,4.266175158,0.080553782,0.568242535,0.566460248,8.93E-08,5.70E-36,7.02E-86,1.67E-157,7.64E-251,0,0,0,0,0,0,0,0,0,7.340919028,0.804699931,0.530399664,0.846116098,0.092749908,0.584695179,0.418946562,0.415916253,8.676018624,10.2276706,22.03688576,0.769174148,1.419557994,5.796846413,0.578062085,0.143598648,0.88929049,0.088680134,0.370153961,0.209764608,0.030173502,6.518507147,4.266365371,11.26606256,0.833935735,0.610092071,6.697291349,0.600179311,0.303819656,0.881072959,0.078957557,0.487280708,0.241949574,0.141572835,7.601290315,6.23669073,15.05920715,0.821609438,0.870803118,7.166441849,0.818315015,0.507060079,0.843923261,0.096365127,0.557680145,0.432325781,0.37454139,8.491816944,9.91315842,21.37858203,0.765884892,1.364547316,7.076499206,0.624470804,0.382845796,0.875390951,0.077249509,0.543230788,0.264390082,0.230367906,8.083815806,7.367351145,17.14298823,0.813086426,1.037988777,7.375333271,0.837404396,0.554395432,0.84124801,0.095516332,0.590236852,0.45087046,0.449579564,8.7671331,10.72924076,22.92039573,0.761872015,1.490686875,7.256926105,0.824680665,0.511759459,0.844480022,0.095967127,0.571834159,0.437769542,0.379893168,8.593366229,10.12048536,21.77655112,0.766720033,1.389496868 +UMLYSI0350,L,2-hexanone,CCCCC(=O)C,saturated alkanone,C6H12O,591-78-6,11583,PubChem,,25.6,0,-0.7438,0.55323844,27.0415,19.363516,0,0,19,7,12,0,6,0,1,0,0,0,0,0,0,0,1133.745495,1058.76965,1188.456622,913.529616,674.488295,477.731566,127.119888,9.144576,0,3130.497121,3797.153407,4644.539406,4254.306644,3187.969874,2181.171529,1120.963057,279.7536999,0,139.21638,133.148048,238.813384,287.95188,236.96426,174.07936,111.43008,60.466176,0,22.71195886,28.64637172,37.87959372,36.42116956,28.46301417,19.44148531,10.95324725,4.001516144,0,3165.229247,2624.785681,5234.328808,6498.455672,5573.453599,4094.498444,2583.794029,1664.258868,0,78.52777778,46,73.08333333,94.33333333,67.16666667,57.5,39,9,0,59.67081553,58.82053611,36.01383703,23.42383631,20.43903924,19.90548192,8.4746592,1.016064,0,164.7630063,210.9529671,140.7436184,109.0847858,96.6051477,90.88214705,74.73087045,31.08374443,0,7.327177895,7.397113778,7.236769212,7.383381538,7.180735152,7.253306667,7.428672,6.718464,0,1.195366256,1.591465096,1.147866476,0.933876143,0.862515581,0.810061888,0.730216483,0.444612905,0,166.591013,145.8214267,158.6160245,166.6270685,168.8925333,170.6041018,172.2529352,184.917652,0,4.133040936,2.555555556,2.214646465,2.418803419,2.035353535,2.395833333,2.6,1,0,0.125782762,-0.042951734,0.009027163,-0.034730979,0.004189151,0.017423503,-0.022252543,0.006404058,0,605.7336044,-45.41908671,-27.34060142,-225.3819707,17.70542748,14.50885989,-200.546419,163.6069882,0,916.6964704,-95.75164029,-214.459928,-212.3909728,11.92103639,11.49506753,-204.3006103,245.1388123,0,1.062550737,-0.002447645,0.109778404,-0.375473618,-0.035140964,-0.060606404,-0.265716898,0.098331756,0,4.063287563,-0.461433045,-1.426951984,-0.489876471,-0.044708272,-0.045697494,-0.507284499,0.944307985,0,22.47243353,-2.562605463,-8.525997698,-2.007411652,-0.435735255,-0.451650591,-2.145702598,4.892886488,0,33.75438596,-0.618190212,4.246768236,-11.78970452,-2.43744229,-0.308171745,-8.547322253,2.576869806,0,0.006620145,-0.002386207,2.74E-04,-8.91E-04,1.27E-04,7.26E-04,-0.001483503,7.12E-04,0,31.88071602,-2.523282595,-0.828503073,-5.779024889,0.536528105,0.604535829,-13.36976126,18.17855424,0,48.24718265,-5.319535572,-6.498785696,-5.44592238,0.361243527,0.478961147,-13.62004069,27.23764581,0,0.055923723,-1.36E-04,0.003326618,-0.009627529,-0.001064878,-0.002525267,-0.01771446,0.010925751,0,0.21385724,-0.025635169,-0.043240969,-0.012560935,-0.001354796,-0.001904062,-0.033818967,0.104923109,0,1.18275966,-0.14236697,-0.258363567,-0.051472094,-0.013204099,-0.018818775,-0.14304684,0.543654054,0,1.77654663,-0.034343901,0.128689947,-0.302300116,-0.073861888,-0.012840489,-0.569821484,0.286318867,0,-0.360446384,0.041320906,-0.134519392,0.019175405,0.109662137,-0.224089165,0.107484347,0,-0.079147614,-0.025987593,-0.181270235,0.016829236,0.018962429,-0.419368287,0.570205331,0,-0.11025588,-0.134697724,-0.112875448,0.00748735,0.009927236,-0.28229712,0.564543758,0,-0.002431532,0.059484922,-0.172154645,-0.01904161,-0.045155557,-0.316761097,0.195368801,0,-0.119870476,-0.202195489,-0.058735141,-0.006335049,-0.008903427,-0.158138048,0.490622199,0,-0.12036847,-0.218441308,-0.043518642,-0.011163805,-0.015910903,-0.120943286,0.459648797,0,-0.019331832,0.07243826,-0.170161656,-0.041576104,-0.007227781,-0.320746708,0.161165974,0,1.089602266,0.728182814,1.34073916,0.815137802,0.984484004,1.633405699,0.00445001,0,1.212328523,0.995485519,1.172111103,0.863636364,0.88769987,1.387328971,0,0,1.492302918,1.226099545,1.020484648,0.863636364,0.819121664,1.047962753,0,0,0.521883785,0.532804333,1.48622188,0.863636364,1.154020187,1.990960739,0,0,1.578834284,1.31705836,0.962518288,0.863636364,0.815969213,0.899772179,0,0,1.583316226,1.329172695,0.955339796,0.863636364,0.822592078,0.875809806,0,0,0.538201663,0.50700482,1.491544059,0.880693631,1.123002209,2.026403326,0,0,28.43257007,14.34128503,23.05144867,28.61114149,4.087305928,14.34128689,0.25,0.138971805,0.019853115,-1.381438944,23.50229795,3.357471135,2.209968741,28.43432564,14.34179561,23.052129,28.61237248,4.087481783,14.34179747,0.249265579,0.138946898,0.019849557,-1.381564413,23.5030877,3.357583957,2.209992263,29.99701124,14.79900838,23.6809046,29.71201518,4.244573598,14.79900943,-0.398994478,0.115079663,0.016439952,-1.513491466,24.46834097,3.495477281,2.238166054,28.43616817,14.34233148,23.0528431,28.61366445,4.087666351,14.34233334,0.2484948,0.138920753,0.019845822,-1.38169614,23.50391713,3.357702448,2.210016966,31.66787216,15.29278895,24.41410735,30.89480483,4.413543547,15.29278956,-1.082294264,0.085054607,0.012150658,-1.725123257,26.47150277,3.781643252,2.293248151,28.61650849,14.39482134,23.12302689,28.74017577,4.105739395,14.39482307,0.173134186,0.136340978,0.019477283,-1.394817436,23.58799032,3.369712902,2.212516388,31.74348259,15.92540144,26.21760852,32.02545538,4.575065054,15.92540188,0.657936508,0.181700789,0.025957256,-1.193775772,21.62016816,3.088595451,2.151538613,0,11.89,15.99491614,-0.299498658,0.191089619,4.036652894,6.8598926,6,18,17,17,5,1,1,0,0,1,14.076484,3.531913601,3.151872913,2.51774015,2.076928408,1.708564476,1.223806689,0.083923071,0.083923071,1.860793456,1.600196268,1.29806892,0.903097839,0.592895389,0.204130038,0.083923071,0.083923071,3.501937941,3.138534091,2.567751864,2.041006464,1.659361897,1.313956105,0.270913902,0.270913902,1.817972206,1.554948252,1.194524556,0.797810894,0.477387346,0.310536493,0.270913902,0.270913902,3.644395246,3.323954429,2.818980993,2.388946568,2.07751264,1.788595534,0.943918427,0.943918427,1.630252179,1.310615247,0.863599883,0.388551225,0.001127652,0.199760387,0.943918427,0.943918427,3.50828,3.149060357,2.608563528,2.073053743,1.660496792,1.377129417,0.399277246,0.399277246,1.794932539,1.525611378,1.126877317,0.73735501,0.44234488,0.272836964,0.399277246,0.399277246,3.686053217,3.384060709,2.933430125,2.500112275,2.174263588,1.966669794,1.207644823,1.207644823,1.584890736,1.251055494,0.75440536,0.265478066,0.10944005,0.349410085,1.207644823,1.207644823,4.845596545,3.377818408,2.90835376,2.70175833,2.045277422,1.545186944,0.590163934,0.590163934,1.726597177,1.318972258,0.98966734,0.566581485,0.20556535,0.465359415,0.590163934,0.590163934,0,0,0,1,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.144337567,0,0,0,0.288675135,0.204124145,0.204124145,0.102062073,0.072168784,0.072168784,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,5.029568634,2.764784317,1.805568494,0.882392159,0.425722174,0.248945479,0,0,0.718509805,0.460797386,0.300928082,0.22059804,0.141907391,0.124472739,0,0,9.965765927,18.6576839,17.70196078,17.96,11.27156647,146.3240515,0.524513996,0.981983363,0.931682147,0.945263158,0.59324034,7.701265868,1.7656,30.206,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,2,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.20263889,0.307268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.217638889,0.802777778,0,0,0,0,0,0,0,0,0,0,3.720833333,0,2.935925926,0,0,0,0,0,0,0.307268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.20263889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.20263889,0.307268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.244722222,0.401388889,0,0,0,0,0,0,0,0,0,0,1.634583333,0,0.760416667,0,0,0,0,0,0,0.307268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.20263889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.20263889,0.307268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.08625,0,1.124583333,0,0,0,0,0,0,0.307268519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.20263889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.16666667,2.452380952,0.559375,10.20263889,0.244722222,0.307268519,2.979191435,1.359398148,3.202638889,6.577777778,1.359398148,3.202638889,6.577777778,3.33333,0.47619,0,0.02381,0.48772,0.80952,0.42174,0.48772,0.80952,0.06598,0,-0.06598,0,0.58823,0.12606,0,0.4,0.15,0,4.75,0.67857,3.25,0.46429,1.5,0.21429,-1.75,-0.25,0,0,5.22643,0.74663,7.02591,1.79948,0.25707,2.52767,0.3611,3.27005,0.74238,0.10605,0.14395,0.02056,0.14395,0.02056,0,6.01,1,1,1,1,0,0,0.833333333,1.167436723,1.878477513,3.115834092,3.326360408,3.431623566,2.984473301,22.18129774,35.69107275,59.20084775,63.20084775,65.20084775,56.70499272,0.27482501,0.44221035,0.733495118,0.783054889,0.807834775,0.702571617,3.08049079,2.36945,1.132093421,0.921567105,0.816303948,1.263454212,0.27482501,0.44221035,0.733495118,0.783054889,0.807834775,0.702571617,10.29981851,18.83230798,20.07934692,20.29152061,21.5546785,16.18887533,25.71846446,16.28162645,16.35662428,15.83118111,14.41143742,11.72853583,7,4.166666667,6,7,1,6,2.01,0.9697,0.2,2.620741394,1,0,2.381101578,1.650963624,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,3.388,6,4,3,2,0,0,0,0,0,28,2.079441542,2.197224577,1.791759469,1.609437912,1.386294361,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,17.07,118.4861345,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,100.088815,5.267832369,12.67036528,1.810052182,2.364829225,2.364829225,0,52,4,1.576,24,1.230611111,2.122014227,2.892442979,3.604171828,4.929108346,5.975406149,7.109033894,0,0,0,82.68712511,86.12799246,76.83382943,90.54532429,108.092015,51.91548963,7.223233415,0,0,0,283.9634567,322.4128211,340.7988159,401.264635,481.5965259,464.5698415,220.9753927,0,0,0,9.132995542,15.45325101,21.41266352,25.92652432,35.7935211,44.1409829,47.76178829,0,0,0,2.091655824,2.569791104,2.850683446,3.463711274,4.220232728,4.549703525,3.16076821,0,0,0,177.3517926,332.8143648,478.6761505,596.2385286,833.12523,1019.816766,1314.585856,0,0,0,3.205074074,4.962398765,7.110390216,7.461120859,11.95449824,15.03327017,7.109033894,0,0,0,0.447387083,0.573018811,0.656611979,0.782890039,0.988823077,1.090308014,0.727965071,0,0,0,339.4954902,160.5571479,9.677994249,178.4113168,-84.37582534,-19.53829559,161.0841734,244.9329733,29.21628984,0.655514632,0.310011658,0.018686749,0.344485368,-0.162917004,-0.037725505,175.8270253,83.15363982,5.012299099,92.40043539,-43.69881428,-10.11901628,0.273980634,0.633243404,1.344146146,24.61648261,479.0331567,38.87365025,0.924940839,0.075059161,444.2955983,21.07832058,7.630576257,560.5400313,23.67572663,8.245219299,695.1187138,26.36510409,8.858353222,1.952828468,1.948754058,511.818884,461.1520133,67.39626694,1.109870215,7.594172604,6.842396979,3.973682534,4.458137907,7.652561919,0.716537729,3.360021677,4.829738104,1.955541013,13.95941539,4.835341143,0.161411621,3.114097846,10.53783871,5.802769275,0.692808679,2.013153692,1.083168243,4.059596441,1.434325068,1.14E-05,1.29E-31,2.82E-79,1.19E-148,9.65E-240,0,0,0,0,0,0,0,0,0,0,0,0.298477101,4.829556012,0.130851781,4.34964752,0.123118735,0.00302845,0.508386009,0.486357397,2.878991124,0.057880894,0.01537439,0.063930421,0.215984827,0.010102069,8.06E-08,9.12E-34,1.99E-81,8.37E-151,6.80E-242,0,0,0,0,0,0,0,0,0,0,0,0.916142542,4.829450735,0.444319117,4.860941591,0.476136792,0.016274972,1.010310896,1.625373473,2.595719665,0.181962293,0.150728781,0.159181276,0.779399646,0.105271345,8.40E-07,9.50E-33,2.07E-80,8.73E-150,7.08E-241,0,0,0,0,0,0,0,0,0,0,0,3.176697216,4.829776581,1.822966728,13.43283568,4.581162007,0.145504455,2.969129174,10.07984453,5.816836074,0.663725839,1.79456804,0.98086728,3.746058366,1.277957813,1.02E-05,1.15E-31,2.52E-79,1.06E-148,8.60E-240,0,0,0,0,0,0,0,0,0,0,0,1.34265012,4.829425913,0.677020199,5.578720215,0.835946724,0.030897524,1.365057033,2.55651773,2.688563984,0.265802958,0.324512711,0.25805986,1.231829751,0.228663428,1.82E-06,2.06E-32,4.50E-80,1.90E-149,1.54E-240,0,0,0,0,0,0,0,0,0,0,0,4.057735794,4.829893228,2.470100985,18.34980749,7.009783078,0.230111529,3.723324128,14.50192555,7.316414044,0.849198103,2.932286377,1.507250601,5.309316693,2.091828312,1.67E-05,1.89E-31,4.12E-79,1.73E-148,1.41E-239,0,0,0,0,0,0,0,0,0,0,0,2.093622362,4.493821765,1.003938227,10.88417381,3.251196298,0.063188703,2.059666466,7.178299155,7.803379994,0.459088122,0.70687951,0.494211316,2.262886226,0.499566054,3.99E-06,4.51E-32,9.84E-80,4.14E-149,3.36E-240,0,0,0,0,0,0,0,0,0,0,0,5.8524549,0.76881434,0.436829068,0.829182967,0.108926556,0.554273594,0.480220173,0.526296249,7.058098309,7.391814126,16.41540353,0.743774451,1.560790016,4.645345774,0.64309977,0.083527025,0.864737434,0.119713897,0.361783945,0.285309404,0.019242489,5.371972568,3.429148919,9.050651857,0.797106151,0.666335838,5.168951884,0.598754453,0.225624232,0.862450657,0.099903459,0.434258652,0.288950763,0.140403746,5.993330569,4.396267269,11.08788971,0.793675985,0.863613161,5.770495638,0.804029406,0.419896123,0.825014036,0.114952958,0.539312087,0.525907103,0.486285078,6.994421167,7.400265755,16.3428572,0.737521054,1.551504268,5.422760992,0.592306446,0.294005474,0.859517883,0.093881693,0.476209142,0.285415424,0.238406475,6.309072911,4.980399039,12.2337988,0.789276824,1.00003104,5.925774201,0.80348325,0.461872524,0.824039368,0.111732545,0.568222356,0.524353378,0.588371286,7.191129975,7.869319439,17.25954473,0.736059052,1.68094702,5.78521114,0.810814731,0.419380696,0.824643744,0.1155763,0.542132314,0.534775928,0.48509197,7.015406567,7.456980334,16.43959036,0.736965617,1.562000212 +UMLYSI0351,L,2-isopropoxyethanol,CC(C)OCCO,other multi-oxygen compounds,C5H12O2,109-59-1,7996,PubChem,,25.5,0,-0.539,0.290521,28.8034,18.405516,0,0,19,7,12,0,5,0,2,0,0,0,0,0,0,0,1245.449375,1158.58929,1303.339814,983.293932,667.420199,547.857834,134.18496,6.096384,0,2923.370996,3522.855622,4208.265933,3827.448885,3127.441627,2384.747837,1125.643694,186.5024666,0,145.02758,140.48832,248.849336,282.482832,214.455332,201.891384,158.402304,40.310784,0,20.56626286,25.1684754,31.6419792,30.82838182,27.70795178,21.68701606,11.2156643,2.667677429,0,3223.886176,2709.945355,5262.817746,6167.914422,4986.638914,4765.066087,3821.280232,1109.505912,0,74.52777778,51.83333333,84.25,98.66666667,51.66666667,62.33333333,53,6,0,65.54996711,64.36607167,40.72936919,27.31372033,22.24733997,19.56635121,6.38976,1.016064,0,153.8616314,195.7142012,131.5083104,106.3180246,104.2480542,85.1695656,53.60208067,31.08374443,0,7.633030526,7.804906667,7.77654175,7.846745333,7.148511067,7.210406571,7.542966857,6.718464,0,1.082434887,1.398248633,0.98881185,0.856343939,0.923598393,0.774536288,0.534079252,0.444612905,0,169.6782198,150.5525197,164.4630546,171.3309562,166.2212971,170.1809317,181.9657253,184.917652,0,3.92251462,2.87962963,2.6328125,2.740740741,1.722222222,2.226190476,2.523809524,1,0,0.376311226,-0.141260405,-0.086425303,0.064658702,-0.055439282,0.044426034,-0.046291018,0.032175659,0,674.5538907,-34.43490849,-94.91619177,-283.9310917,-12.67392501,49.16357186,-80.55902645,120.0746262,0,834.4666208,-132.3198136,-180.800076,-90.24336656,-105.2192908,-143.122914,89.82005582,144.6520947,0,1.933466105,-0.13677631,-0.504396388,-0.282222936,0.161244886,0.186484476,-0.53026738,0.139200598,0,3.597812604,-0.9133548,-1.167561507,0.907012919,-0.628598022,-1.302621407,0.841731035,0.46448548,0,20.19020202,-5.596339153,-7.217979838,7.142180091,-3.615226399,-8.165813224,5.10172058,2.256356934,0,27.68421053,-4.803170206,-3.817559249,-2.568328717,1.586334257,5.228531856,-11.41851339,1.950600185,0,0.019805854,-0.0078478,-0.002700791,0.001796075,-0.001847976,0.001586644,-0.002204334,0.00536261,0,35.50283635,-1.913050472,-2.966130993,-7.88697477,-0.422464167,1.755841852,-3.836144116,20.0124377,0,43.91929583,-7.351100753,-5.650002375,-2.506760182,-3.507309695,-5.111532643,4.277145515,24.10868246,0,0.101761374,-0.007598684,-0.015762387,-0.007839526,0.00537483,0.00666016,-0.025250828,0.0232001,0,0.189358558,-0.050741933,-0.036486297,0.025194803,-0.020953267,-0.046522193,0.04008243,0.077414247,0,1.062642212,-0.310907731,-0.22556187,0.198393891,-0.120507547,-0.291636187,0.242939075,0.376059489,0,1.457063712,-0.266842789,-0.119298727,-0.071342464,0.052877809,0.186733281,-0.543738733,0.325100031,0,-0.3962364,-0.136363255,0.09068405,-0.093304539,0.080109855,-0.111297104,0.27075883,0,-0.05388444,-0.083546311,-0.222150554,-0.011899448,0.049456382,-0.108051765,0.563685602,0,-0.167377473,-0.128645104,-0.057076511,-0.079858058,-0.116384668,0.097386477,0.548931443,0,-0.074671593,-0.154895581,-0.077038327,0.052817973,0.065448801,-0.248137644,0.227985323,0,-0.267967468,-0.192683644,0.133053418,-0.110653923,-0.245683076,0.211674775,0.408823596,0,-0.29257988,-0.212265114,0.186698674,-0.113403689,-0.274444383,0.228617942,0.353890976,0,-0.183137352,-0.081876122,-0.048963174,0.036290663,0.128157251,-0.373174301,0.223119983,0,1.329338349,1.238847762,1.244396892,0.526323525,0.463280184,1.380766335,0.812141554,0,1.189058898,1.151229642,1.281573254,0.806974372,0.756816595,1.010517062,0,0,1.595746771,1.173473629,0.924466797,1.094550303,1.01256791,0.488389845,0,0,0.998753479,1.344871908,1.488983951,0.350761153,0.504993004,1.510498828,0,0,1.855185572,1.265504587,0.712033484,1.155303694,1.125308397,0.252836265,0,0,1.902243948,1.299778888,0.676974049,1.138610219,1.134371914,0.232138029,0,0,1.118768483,1.030596483,1.024952471,0.373859316,0.726948669,2.353068984,0,0,26.10849881,13.3042494,20.57263435,26.46564166,3.780805952,13.3042546,0.5,0.061578362,0.008796909,-1.951211312,26.20008123,3.742868746,2.286033758,26.12228193,13.31040654,20.5835149,26.47837561,3.782625087,13.31041171,0.498531158,0.061631883,0.008804555,-1.950603174,26.1956272,3.742232457,2.285914747,38.33971407,18.77086256,30.30099693,37.76972196,5.395674566,18.77086257,-0.797988956,0.094511817,0.013501688,-1.651321282,24.26209507,3.466013582,2.232240681,26.13674758,13.31686859,20.59493459,26.49174016,3.784534308,13.31687372,0.4969896,0.061687999,0.008812571,-1.949966116,26.19096365,3.741566236,2.285790117,51.27881031,24.55711089,40.65832111,49.73267565,7.10466795,24.55711089,-2.164588529,0.112385625,0.016055089,-1.530073471,23.6285043,3.375500614,2.213717655,27.55201595,13.94914216,21.71371143,27.7993505,3.971335785,13.94914478,0.346268372,0.066915591,0.00955937,-1.893026298,25.78355086,3.683364409,2.274815708,23.23371524,12.17042905,18.54733963,24.02453157,3.432075938,12.17044805,1.107142857,0.039712011,0.005673144,-2.258271123,28.63638793,4.090912562,2.34827475,0,11.99640053,15.99825848,-0.418324957,0.09209543,3.747937674,6.599442976,6,18,18,18,6,0,0,0,0,0,15.034484,3.440928519,3.093301076,2.333552793,2.30238855,1.545430656,1.19196803,0.595532897,0.083923071,1.770256735,1.559896823,1.249629723,0.853637968,0.513722697,0.388362207,0.083923071,0.083923071,3.370526436,3.067217965,2.405454588,2.103646603,1.476673223,1.180357792,0.455324022,0.270913902,1.755106386,1.527277679,1.134540686,0.852619347,0.414084792,0.320490119,0.270913902,0.270913902,3.571165176,3.280091789,2.704236987,2.532765381,1.93233238,1.737600561,1.096306475,0.943918427,1.515474249,1.255590057,0.76031856,0.38243573,0.089980202,0.29417577,0.943918427,0.943918427,3.366662906,3.076746093,2.457539916,2.075311351,1.512331505,1.202212838,0.43194976,0.399277246,1.748383428,1.50162661,1.058262671,0.855270466,0.358828697,0.244239981,0.399277246,0.399277246,3.608577931,3.343090201,2.838982085,2.590280522,2.06268401,1.911063986,1.208341272,1.207644823,1.47028314,1.192229648,0.631337262,0.302471119,0.238279082,0.459663164,1.207644823,1.207644823,4.286992956,3.602216985,2.967607781,2.657839583,2.122770033,1.578974513,1.097316527,0.6,1.555569659,1.333760144,0.857839583,0.437141743,0.139708772,0.310301523,0.6,0.6,0,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.23570226,0,0,0,0.288675135,0.204124145,0.204124145,0.166666667,0.11785113,0.052704628,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,4.847025718,2.495305699,1.6431524,0.542471556,0.288406888,0.105409255,0,0,0.692432245,0.415884283,0.273858733,0.135617889,0.096135629,0.052704628,0,0,9.680565032,18.98834669,18.05098039,18.36,10.75180599,147.7358778,0.509503423,0.999386668,0.9500516,0.966315789,0.565884526,7.775572518,0.4037,28.1738,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,1,0,2,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.743333333,0,13.13111111,0,0,3.672789352,0,0,0,0,0,0,0,0.743333333,0,0,0,0,0,0,0,0,0,0,0,0,0,2.29,0,0,0,0,0,0,0,0,0,0,0,3.880277778,0,0.579212963,0,0,0,0.242731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.190138889,0,4.940972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.743333333,0,4.940972222,0,0,3.672789352,0,0,0,0,0,0,0,0.743333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0.338888889,0,0,0,0,0,0,0,0,0,0,0,1.940138889,0,0.123194444,0,0,0,0.242731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.190138889,0,4.940972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.743333333,0,8.190138889,0,0,3.672789352,0,0,0,0,0,0,0,0.743333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561111111,0,0,0,0,0,0,0,0,0,0,0,1.940138889,0,0.456018519,0,0,0,0.242731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.190138889,0,4.940972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.83333333,2.547619048,0.743333333,8.190138889,0.166666667,0.123194444,2.058621528,1.376805556,2.190138889,7.262222222,1.376805556,2.190138889,7.262222222,3.16666,0.45238,0,0.04762,0.52807,0.91905,0.42174,0.52807,0.84167,0.10633,0,-0.10633,0.07738,0.49223,0.22206,0,0.42105,0.1579,0,3.75,0.53571,3.75,0.53571,0,0,-3.75,-0.53571,0,0,5.25216,0.75031,7.02591,1.77375,0.25339,2.44079,0.34868,3.27005,0.82926,0.11847,0.14395,0.02056,0.14395,0.02056,0,6.02,2,2,2,2,1,1,1,1.267443804,2.034572366,2.905307776,3.115834092,3.115834092,2.668683828,24.08143227,38.65687495,55.20084775,59.20084775,59.20084775,50.70499272,0.298367569,0.47895647,0.683935347,0.733495118,0.733495118,0.62823196,2.98048371,2.213355148,1.342619737,1.132093421,1.132093421,1.579243686,0.303948825,0.487915817,0.696729024,0.747215859,0.747215859,0.639983651,11.97254971,18.7257168,20.76033679,20.97251048,20.97251048,14.71354374,25.70002921,18.36899246,17.19522271,16.66977955,16.66977955,13.53972769,7,4.166666667,6,7,0,3,1.79,0.9305,0.5,1.154700538,2,0,1,0.816496581,0,0,0,0,0,0.333333333,0,0,0,0,0,0,0,0.259,0.614,0.621,0.528,0.233,3.179,6,4,3,2,0,0,0,0,0,28,1.945910149,1.945910149,1.609437912,1.386294361,1.098612289,0,0,0,0,0,3.36729583,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,6,1,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,29.46,112.6168352,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,104.0837296,5.478091033,12.67036528,1.810052182,5.199368491,5.199368491,0,52,4,0.194,24,1.22,2.094220064,2.817785846,3.439775946,4.252392462,5.16281701,5.413331234,0,0,0,90.60017841,94.46439625,87.54242897,93.60753353,100.4164993,35.02820894,5.500290987,0,0,0,260.5725691,293.1532302,316.863138,397.9721393,398.3871907,283.4516008,168.2666046,0,0,0,9.595452363,16.40293473,22.23790308,24.80336848,31.03987278,39.31995845,36.36927102,0,0,0,1.806256809,2.157411849,2.497476478,3.390177113,3.476446335,2.767453618,2.406836925,0,0,0,181.8560218,341.6108454,480.9981974,565.4481537,715.935739,939.6013297,1001.020501,0,0,0,3.624476852,5.749507569,8.151334336,6.341260189,10.54043905,13.71380743,5.413331234,0,0,0,0.428899117,0.547467782,0.629421616,0.768353069,0.849999517,0.760982995,0.554325118,0,0,0,353.9043067,299.7288536,16.48247844,129.4402441,-109.6256113,-25.22727599,224.4640626,409.3544649,41.70975443,0.732198814,0.620114271,0.034100888,0.267801186,-0.226806346,-0.052193153,171.0577182,144.8723081,7.966716139,62.56423665,-52.98694187,-12.19346638,0.247759218,0.46447722,4.401195932,17.87073604,407.6545354,75.69001547,0.843403602,0.156596398,479.2844041,21.89256504,7.825842426,603.8727331,24.57382211,8.452434359,768.4929455,27.72170531,9.159672833,1.663234974,1.517738908,472.2396386,424.6370801,76.14623812,1.112101747,6.201746144,5.576599588,3.870198822,3.603460633,6.541462183,0.815327778,3.782243689,4.982662843,6.046037802,9.411735563,5.756186339,3.362536774,4.688687018,7.819858535,3.518429947,3.037914857,1.000655883,2.436488815,8.70E-10,1.29E-40,4.10E-93,2.57E-167,3.12E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,0.337322794,4.38185192,0.547505037,2.291790508,0.290335063,1.957788736,1.004506875,0.669236751,0.24210087,0.074010843,0.539367332,0.204710323,9.73E-11,1.44E-41,4.59E-94,2.88E-168,3.49E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,0.969469331,3.738759761,1.176369909,2.980053472,0.849514213,1.419687417,1.591851828,1.326581677,0.63215442,0.358124417,0.341214819,0.394145336,1.69E-10,2.49E-41,7.94E-94,4.98E-168,6.05E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,3.793087653,5.25451553,6.838753836,9.159334615,5.723134602,3.778685013,4.526040053,7.246815451,3.461947311,2.742991254,1.093017413,2.824513596,1.09E-09,1.62E-40,5.15E-93,3.23E-167,3.92E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,1.361918491,3.554517375,1.424002063,3.65979361,1.272239536,1.422022728,2.013223995,2.023596538,0.925934525,0.648425464,0.2958816,0.44631241,1.67E-10,2.47E-41,7.87E-94,4.94E-168,5.99E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,4.748237207,5.676455361,8.472742445,11.9659176,8.075944806,4.363258167,5.836808603,10.62121761,4.776103671,4.258941339,1.353463028,3.557155121,1.27E-09,1.88E-40,5.99E-93,3.76E-167,4.56E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,3.484117102,5.551841899,7.275764449,7.345588446,3.735122205,6.438593789,3.315895988,4.174837104,2.923019736,1.21703487,2.063076507,4.100108594,1.88E-09,2.78E-40,8.86E-93,5.56E-167,6.75E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,4.175425459,1.151718868,0.533581953,0.712441643,0.1965147,0.580010808,0.476975252,0.380311244,5.86072628,7.651384359,16.07806158,0.568662464,1.437297304,4.088527039,0.612049018,0.137412254,0.845088243,0.126508991,0.557457694,0.135293526,0.025624491,4.837988311,3.148295709,8.330141553,0.767632364,0.71837571,3.90228272,0.864407149,0.310299581,0.768621396,0.170259788,0.508627471,0.271213222,0.130527317,5.07698945,4.852262949,10.97594287,0.652932094,0.91036801,4.23394266,1.108478406,0.505446258,0.724014829,0.189552592,0.596115671,0.441100895,0.341184823,5.847867324,7.393540747,15.61358564,0.586022243,1.378401389,3.874185107,0.984087983,0.395543747,0.737403916,0.187309153,0.501373837,0.351753185,0.211646959,5.253816836,5.734198547,12.49604135,0.606105873,1.064773981,4.231738243,1.177718547,0.55551924,0.709430888,0.19743894,0.595382493,0.497768167,0.41131207,5.96497603,7.988853941,16.72242488,0.564146332,1.504462731,4.278275378,1.119008794,0.511588946,0.724042519,0.189377699,0.608568443,0.44945453,0.349158163,5.908873118,7.548618693,15.90668694,0.586063779,1.407181136 +UMLYSI0352,L,3-hexanone,CCCC(=O)CC,saturated alkanone,C6H12O,589-38-8,11509,PubChem,,25.5,0,-0.3796,0.14409616,29.1534,19.363516,0,0,19,7,12,0,6,0,1,0,0,0,0,0,0,0,1133.745495,1058.76965,1188.456622,1067.384565,716.772887,323.876617,84.835296,9.144576,0,3130.497121,3797.153407,4644.539406,4307.716772,3247.508299,2127.761402,1061.424631,279.7536999,0,139.21638,133.148048,238.813384,287.71626,225.06698,174.31498,123.32736,60.466176,0,22.71195886,28.64637172,37.87959372,35.88787876,27.3996407,19.97477611,12.01662072,4.001516144,0,3165.229247,2624.785681,5234.328808,6530.204932,5019.500517,4062.749184,3137.747111,1664.258868,0,78.52777778,45.91666667,70.75,99.91666667,84.5,52,24,9,0,59.67081553,58.82053611,36.01383703,27.368835,23.89242957,13.49485904,4.713072,1.016064,0,164.7630063,210.9529671,140.7436184,110.4542762,108.2502766,88.65672507,58.96803508,31.08374443,0,7.327177895,7.397113778,7.236769212,7.37734,7.502232667,7.263124167,6.85152,6.718464,0,1.195366256,1.591465096,1.147866476,0.92020202,0.913321357,0.832282338,0.66759004,0.444612905,0,166.591013,145.8214267,158.6160245,167.4411521,167.3166839,169.281216,174.3192839,184.917652,0,4.133040936,2.550925926,2.143939394,2.561965812,2.816666667,2.166666667,1.333333333,1,0,0.126537503,-0.046314752,-0.006501849,0.007127583,-0.003157852,-0.019175743,-1.08E-04,0.00486179,0,605.7336044,-45.41908671,-27.34060142,-13.52325939,-228.5785382,-197.3498514,45.73754676,163.6069882,0,916.6964704,-95.75164029,-214.459928,2.978736188,-212.8169417,-203.8746415,20.43736773,245.1388123,0,1.062550737,-0.002447645,0.109778404,-0.195828565,-0.400939058,-0.240251457,0.100081197,0.098331756,0,4.063287563,-0.461433045,-1.426951984,-0.029278688,-0.490865693,-0.506295278,-0.061127079,0.944307985,0,22.47243353,-2.562605463,-8.525997698,-0.329274982,-2.023326988,-2.129787261,-0.558110864,4.892886488,0,33.75438596,-0.701523546,1.145891043,-5.438827331,-9.827100646,-6.575715605,1.943213296,2.576869806,0,0.006659869,-0.002573042,-1.97E-04,1.83E-04,-1.05E-04,-7.99E-04,-6.00E-06,5.40E-04,0,31.88071602,-2.523282595,-0.828503073,-0.346750241,-7.619284608,-8.222910474,2.54097482,18.17855424,0,48.24718265,-5.319535572,-6.498785696,0.076377851,-7.093898055,-8.494776728,1.135409318,27.23764581,0,0.055923723,-1.36E-04,0.003326618,-0.005021245,-0.013364635,-0.010010477,0.005560066,0.010925751,0,0.21385724,-0.025635169,-0.043240969,-7.51E-04,-0.01636219,-0.021095637,-0.003395949,0.104923109,0,1.18275966,-0.14236697,-0.258363567,-0.008442948,-0.067444233,-0.088741136,-0.031006159,0.543654054,0,1.77654663,-0.03897353,0.034723971,-0.139457111,-0.327570022,-0.27398815,0.107956294,0.286318867,0,-0.38635023,-0.029584024,0.027441765,-0.015805379,-0.119970728,-9.00E-04,0.081112539,0,-0.079147614,-0.025987593,-0.010876488,-0.238993522,-0.257927409,0.079702564,0.570205331,0,-0.11025588,-0.134697724,0.001583053,-0.147032379,-0.176067829,0.023533173,0.564543758,0,-0.002431532,0.059484922,-0.089787392,-0.238979713,-0.179002342,0.099422324,0.195368801,0,-0.119870476,-0.202195489,-0.003510452,-0.076509871,-0.098643546,-0.015879513,0.490622199,0,-0.12036847,-0.218441308,-0.007138346,-0.057022771,-0.075028883,-0.026215097,0.459648797,0,-0.021937803,0.01954577,-0.078498987,-0.184385828,-0.154225139,0.060767498,0.161165974,0,1.124231077,0.782423847,1.266503624,1.551255154,1.077893154,0.174611671,1.24E-05,0,1.212328523,0.995485519,1.000307492,1.283904329,1.166880737,0.59960026,0,0,1.492302918,1.226099545,0.89480256,1.031927374,1.023355056,0.736756672,0,0,0.521883785,0.532804333,1.410031057,1.905304594,1.277830275,0.066959626,0,0,1.578834284,1.31705836,0.889952635,0.954049145,0.933888399,0.743061575,0,0,1.583316226,1.329172695,0.900141658,0.950015396,0.912289051,0.729815845,0,0,0.540670478,0.558849934,1.405515353,1.871608628,1.260947245,0.088877339,0,0,27.48565425,13.86782713,21.52624284,27.66422568,3.95203224,13.8678301,0.25,0.085547374,0.012221053,-1.721079481,24.69870358,3.528386225,2.244725529,27.48734558,13.86830558,21.52675366,27.66539242,3.952198918,13.86830856,0.249265579,0.085540504,0.012220072,-1.721135703,24.69828912,3.528327017,2.244713782,28.99853991,14.29977272,21.9928658,28.71354386,4.101934837,14.29977444,-0.398994478,0.078871397,0.011267342,-1.777955647,24.32998684,3.475712405,2.234196731,27.4891207,13.86880775,21.5272898,27.66661698,3.952373855,13.86881072,0.2484948,0.085533291,0.012219042,-1.721194723,24.69785412,3.528264874,2.244701453,30.62447259,14.77108916,22.52047569,29.85140526,4.264486466,14.77109019,-1.082294264,0.069702629,0.009957518,-1.864462074,23.98413427,3.426304896,2.224174778,27.66294742,13.9180408,21.57991547,27.78661469,3.969516385,13.91804358,0.173134186,0.08482144,0.012117349,-1.727044858,24.65522167,3.522174524,2.243492097,30.17598369,15.14660012,23.93961865,30.45795648,4.351136641,15.14660107,0.657936508,0.114437046,0.016348149,-1.517411296,24.11620302,3.44517186,2.228018757,0,11.89,15.99491614,-0.299200604,0.132424371,4.272433469,6.859887239,6,18,17,17,5,1,1,0,0,1,14.076484,3.552797882,3.073182212,2.634436484,2.061380182,1.563354361,1.332142786,0.083923071,0.083923071,1.848875044,1.640660305,1.247427004,0.890521635,0.653269005,0.184896588,0.083923071,0.083923071,3.512992966,3.103114292,2.610676125,2.049038151,1.57640057,1.371380742,0.270913902,0.270913902,1.815919534,1.563918152,1.178810588,0.794827926,0.518467226,0.282290808,0.270913902,0.270913902,3.655508927,3.286141865,2.869432722,2.388483546,2.001760761,1.840856881,0.943918427,0.943918427,1.630123691,1.313041256,0.856950664,0.38590828,0.029405492,0.223499597,0.943918427,0.943918427,3.51462953,3.130191438,2.628716748,2.077786481,1.626432076,1.39853323,0.399277246,0.399277246,1.798655728,1.514518227,1.13831518,0.737668312,0.435656713,0.274849596,0.399277246,0.399277246,3.691352406,3.367907184,2.951413312,2.501490054,2.152726213,1.979165308,1.207644823,1.207644823,1.590218511,1.23533567,0.770989321,0.268102159,0.13145659,0.336744782,1.207644823,1.207644823,4.842056784,3.306799281,3.144220305,2.506434726,1.985682882,1.652053613,0.590163934,0.590163934,1.690155655,1.407726702,0.925939843,0.527736147,0.278624039,0.474902009,0.590163934,0.590163934,0,0,0,1,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.102062073,0,0,0,0.49279928,0.40824829,0.204124145,0.174230856,0.144337567,0.072168784,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.029568634,2.825444489,1.642228525,0.923176335,0.455615463,0.176776695,0,0,0.718509805,0.470907415,0.273704754,0.184635267,0.151871821,0.176776695,0,0,9.965765927,18.6576839,17.70196078,17.96,11.27156647,146.3240515,0.524513996,0.981983363,0.931682147,0.945263158,0.59324034,7.701265868,1.7656,30.206,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,2,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41180556,0.377314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.680208333,0.802777778,0,0,0,0,0,0,0,0,0,0,3.922175926,0,2.45537037,0,0,0,0,0,0,0.377314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41180556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41180556,0.377314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.265625,0.401388889,0,0,0,0,0,0,0,0,0,0,1.900787037,0,0.702222222,0,0,0,0,0,0,0.377314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41180556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41180556,0.377314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.021388889,0,0.992731481,0,0,0,0,0,0,0.377314815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.41180556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.16666667,2.452380952,0.515972222,10.41180556,0.265625,0.377314815,2.82466713,1.289351852,3.411805556,6.866388889,1.289351852,3.411805556,6.866388889,3.33333,0.47619,0,0.02381,0.48772,0.80952,0.42174,0.48772,0.80952,0.06598,0,-0.06598,0,0.58823,0.12606,0,0.4,0.15,0,4.75,0.67857,3.25,0.46429,1.5,0.21429,-1.75,-0.25,0,0,5.23233,0.74748,7.07892,1.84659,0.2638,2.61989,0.37427,3.30805,0.68816,0.09831,0.10595,0.01514,0.10595,0.01514,0,6.01,1,1,1,1,0,0,0.833333333,1.167436723,1.773214355,2.905307776,3.326360408,2.925853015,2.200441883,22.18129774,33.69107275,55.20084775,63.20084775,55.59120728,41.80839577,0.27482501,0.417430464,0.683935347,0.783054889,0.688771879,0.518003633,3.08049079,2.474713158,1.342619737,0.921567105,1.322074499,2.047485631,0.27482501,0.417430464,0.683935347,0.783054889,0.688771879,0.518003633,10.29981851,17.56915009,21.02424428,20.29152061,18.29407895,13.08456674,25.71846446,17.70137014,15.5649527,15.83118111,18.54454299,15.65423121,7,4.166666667,3.84,7,1,6,2.01,0.9697,0.2,2.803965796,0.816496581,0,1.650963624,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,3.388,6,5,3,1,0,0,0,0,0,28,2.079441542,2.197224577,2.079441542,1.609437912,0.693147181,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,17.07,118.4861345,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,100.088815,5.267832369,12.66537523,1.809339318,2.41660592,2.41660592,0,50,5,1.26,24,1.230611111,2.12189994,2.880388876,3.638556339,4.944601944,5.832757812,7.019466268,0,0,0,82.68712511,85.97766925,87.23558191,103.5031061,75.32865678,30.45831128,7.132226974,0,0,0,283.9634567,322.0517162,343.7194258,445.9651869,468.2136159,366.332875,218.1912955,0,0,0,9.132995542,15.45196097,21.32465015,27.13493355,35.90462506,40.0700794,47.16003142,0,0,0,2.091655824,2.567775733,2.805141245,3.691374765,4.322651002,4.072905854,3.120945288,0,0,0,177.3517926,332.8265365,478.8383605,595.5631062,829.8998588,1008.253377,1298.023221,0,0,0,3.198671296,4.78747594,7.497275674,9.958243522,10.72678844,8.044623556,7.019466268,0,0,0,0.447387083,0.572627928,0.654854397,0.857762291,0.98621137,0.901627126,0.718793346,0,0,0,364.0888265,171.7879773,11.41274683,173.0562267,-81.65309389,-17.70920943,191.0325998,253.4410712,29.12195627,0.677822172,0.319816735,0.021247048,0.322177828,-0.152013117,-0.032969138,195.568512,92.27506218,6.130300504,92.95629607,-43.85955546,-9.512414242,0.280521558,0.634088111,4.975621931,20.49595426,504.8215418,32.32351138,0.939823496,0.060176504,444.2955983,21.07832058,7.630576257,560.5400313,23.67572663,8.245219299,716.0496234,26.75910356,8.946387537,2.051616202,2.051616202,472.2471986,426.1042902,62.87230463,1.108290176,7.511211834,6.777297138,3.824880792,4.434143809,7.611354189,0.716533003,3.360021677,4.829738104,2.840848094,8.322200176,5.643179162,0.57458248,1.53277652,7.631682543,6.378359806,3.20459009,2.249305966,0.825453048,1.226700503,1.154038266,5.51E-07,1.01E-34,3.58E-84,2.45E-155,3.23E-248,0,0,0,0,0,0,0,0,0,0,0,0.298477101,4.829556012,0.23266514,4.313567138,0.243860419,0.059312654,0.432791131,0.420986938,1.229269215,0.115278012,0.074083622,0.007885354,0.080549646,0.008127986,3.88E-09,7.13E-37,2.52E-86,1.72E-157,2.27E-250,0,0,0,0,0,0,0,0,0,0,0,0.916142542,4.829450735,0.606746408,4.256783087,0.690731708,0.105695574,0.62991875,1.39556423,1.817088273,0.473383103,0.311449496,0.062899548,0.274783302,0.084699879,4.04E-08,7.43E-36,2.63E-85,1.80E-156,2.37E-249,0,0,0,0,0,0,0,0,0,0,0,3.176697216,4.829776581,2.969031818,8.424163466,5.656215787,0.703989351,1.480890722,7.265068465,5.899299643,2.919066907,2.04303683,0.735826663,1.142482289,1.028227318,4.91E-07,9.02E-35,3.19E-84,2.18E-155,2.87E-248,0,0,0,0,0,0,0,0,0,0,0,1.34265012,4.829425913,0.823363613,4.423129508,1.046168982,0.108912052,0.774672901,2.148664104,2.358138291,0.800118755,0.535750425,0.13388123,0.419912358,0.183979456,8.79E-08,1.61E-35,5.71E-85,3.90E-156,5.14E-249,0,0,0,0,0,0,0,0,0,0,0,4.057735794,4.829893228,3.791514597,10.32571321,8.136633294,0.83880283,1.796333099,10.18175686,8.338308425,4.371206282,3.096031362,1.202234192,1.55447727,1.683056353,8.04E-07,1.48E-34,5.23E-84,3.57E-155,4.71E-248,0,0,0,0,0,0,0,0,0,0,0,2.093622362,4.453679391,3.374887781,9.434040521,5.515992995,1.299404945,1.154666893,4.909261087,3.562264838,1.326596441,1.040242822,0.290493606,0.753028962,0.401943992,1.92E-07,3.52E-35,1.25E-84,8.53E-156,1.12E-248,0,0,0,0,0,0,0,0,0,0,0,5.921006262,0.80079261,0.436829068,0.827114681,0.11186398,0.58713498,0.53502877,0.526296249,7.15862794,7.677775196,16.90762732,0.740672021,1.648459999,4.194386235,0.589845182,0.083527025,0.861666881,0.121173881,0.294229379,0.290170423,0.019242489,4.867758442,2.873651129,7.948058647,0.792500322,0.603642291,5.063011788,0.589415744,0.225624232,0.861341817,0.100273997,0.429142228,0.290266047,0.140403746,5.878051764,4.259543479,10.81090733,0.792012726,0.859812021,5.78491394,0.817198689,0.419896123,0.823826079,0.116376769,0.560231457,0.558009584,0.486285078,7.022008752,7.499625585,16.50666138,0.735739119,1.604526119,5.430892232,0.613151424,0.294005474,0.856871274,0.096741349,0.494113368,0.313257034,0.238406475,6.338049129,5.106941224,12.42401662,0.785306911,1.045776877,6.001694314,0.836294729,0.461872524,0.822165497,0.114563094,0.603199104,0.583700848,0.588371286,7.299861568,8.177464583,17.79554994,0.733248246,1.775271237,5.789961752,0.82136554,0.419380696,0.823524709,0.116825438,0.561152136,0.563907722,0.48509197,7.030707988,7.528338104,16.55348441,0.735287064,1.610151829 +UMLYSI0353,L,ethyl butyrate,CCCC(=O)OCC,saturated esters,C6H12O2,105-54-4,7762,PubChem,,25.5,0,0.0597,0.00356409,29.6417,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1500.364299,1247.39409,1088.949425,546.699218,275.495641,84.835296,9.144576,3346.887898,3979.09551,4674.696811,4282.804084,3581.172724,2742.121004,1881.72051,1061.424631,279.7536999,152.568096,145.6753,259.36554,290.575488,213.496796,191.254088,145.901476,123.32736,60.466176,23.35516286,28.53615172,35.91568508,33.26380117,26.60754845,22.19106228,18.37047215,12.01662072,4.001516144,3350.680532,2804.677982,5510.452524,6473.488352,4465.455747,4038.02074,3507.196353,3137.747111,1664.258868,90.77777778,54.5,97.58333333,97.83333333,97.25,77,31,24,9,69.4856748,68.35965826,44.12836174,32.82616026,40.33146019,22.77913408,13.11884005,4.713072,1.016064,167.3443949,209.4260795,137.4910827,112.7053706,132.6360268,114.2550418,89.60573856,58.96803508,31.08374443,7.6284048,7.667121053,7.628398235,7.646723368,7.907288741,7.968920333,6.947689333,6.85152,6.718464,1.167758143,1.501902722,1.056343679,0.875363189,0.985464757,0.924627595,0.874784388,0.66759004,0.444612905,167.5340266,147.6146306,162.0721331,170.3549566,165.3872499,168.2508642,167.0093502,174.3192839,184.917652,4.538888889,2.868421053,2.870098039,2.574561404,3.601851852,3.208333333,1.476190476,1.333333333,1,0.264974899,-0.162669775,0.060631094,-0.022454392,0.034122883,-0.056470629,0.004961017,0.00415113,0.005241222,715.056216,-13.739645,42.068427,63.328746,-186.406063,-539.106382,-28.866791,97.8336,207.36,931.2646053,-148.2416011,-210.4695091,243.6829002,-173.253281,-347.4233429,-134.0927589,40.28781217,263.877478,1.9334688,0.00145024,0.75963024,-0.59656992,-0.69045088,-1.15689376,0.22982176,0.27724608,0.20903184,4.097118945,-1.072153629,-1.377869305,1.080326084,-0.655980325,-0.09763506,-0.70258381,-0.112758311,0.890094883,23.01673804,-6.548761719,-7.89227958,5.554007487,-3.673159368,1.538504135,-3.884177916,-1.005980191,4.403478133,37.42222222,-0.978888889,10.79888889,-8.224444444,-8.753333333,-22.30666667,3.723333333,3.42,3.61,0.013248745,-0.008561567,0.001783267,-5.91E-04,0.00126381,-0.002352943,2.36E-04,2.31E-04,5.82E-04,35.7528108,-0.723139211,1.237306676,1.666545947,-6.903928259,-22.46276592,-1.374609095,5.4352,23.04,46.56323026,-7.80218953,-6.190279679,6.4127079,-6.416788185,-14.47597262,-6.385369473,2.238211787,29.31971978,0.09667344,7.63E-05,0.022342066,-0.015699208,-0.025572255,-0.048203907,0.010943893,0.01540256,0.02322576,0.204855947,-0.056429138,-0.040525568,0.028429634,-0.024295568,-0.004068128,-0.033456372,-0.006264351,0.098899431,1.150836902,-0.344671669,-0.23212587,0.146158092,-0.13604294,0.064104339,-0.184960853,-0.055887788,0.489275348,1.871111111,-0.051520468,0.317614379,-0.216432749,-0.324197531,-0.929444444,0.177301587,0.19,0.401111111,-0.646217218,0.134598974,-0.044600833,0.09539096,-0.177597418,0.017831042,0.017406807,0.043955712,-0.02022608,0.034607256,0.046613005,-0.193101692,-0.628279719,-0.038447581,0.152021614,0.644424857,-0.167561174,-0.132943519,0.137720426,-0.137808055,-0.310888496,-0.137133301,0.048068224,0.629675382,7.90E-04,0.231108626,-0.162394226,-0.264522032,-0.498626165,0.113204758,0.159325664,0.240249649,-0.275457653,-0.197824707,0.13877866,-0.118598302,-0.019858479,-0.163316576,-0.030579296,0.482775496,-0.299496539,-0.201701796,0.127001569,-0.11821218,0.055702367,-0.160718563,-0.048562736,0.425147427,-0.027534692,0.169746402,-0.115670709,-0.173264714,-0.496733967,0.09475738,0.101543943,0.214370546,1.62851345,0.930703566,1.343289105,1.493119625,1.344476689,0.106082358,0.086570154,1.86E-04,1.04922138,0.951186959,0.947623774,1.282683589,1.722799611,0.765925185,0.536147629,0,1.505949528,1.1618184,0.728478123,1.078795323,1.180434936,1.093602754,0.765521928,0,0.713221749,0.738250888,1.368233095,1.724732636,2.121799173,0.055489215,0.038842451,0,1.749688453,1.254801494,0.698421089,1.067822661,0.890994962,1.11123739,0.777866173,0,1.787392882,1.264308948,0.715586417,1.090687249,0.846220953,1.074490731,0.752143512,0,0.585659145,0.514771378,1.152390143,1.999538137,2.528021081,0.066487106,0.084619952,0,33.21907411,16.85953706,25.91268375,33.59407411,4.199259264,16.85953723,0.5,0.105013682,0.01312671,-1.802931704,39.43368775,4.929210969,2.939696376,33.23136939,16.86495027,25.92086107,33.60526776,4.200658469,16.86495045,0.498531158,0.104670946,0.013083868,-1.805546954,39.49610725,4.937013407,2.940961693,44.21508734,21.70854919,33.80665072,43.61659562,5.452074452,21.70854919,-0.797988956,0.118410441,0.014801305,-1.706878702,35.44462892,4.430578614,2.854377384,33.2442738,16.8706317,25.92944552,33.617016,4.202127,16.87063187,0.4969896,0.10431144,0.01303893,-1.808299388,39.56200611,4.945250764,2.942295373,55.97724492,26.9063282,42.92426778,54.35380353,6.794225441,26.9063282,-2.164588529,0.227362217,0.028420277,-1.184968692,26.81262353,3.351577941,2.631098243,34.50814645,17.42720741,26.77993808,34.76784773,4.345980966,17.42720751,0.346268372,0.070175968,0.008771996,-2.125399491,48.71049173,6.088811467,3.108715554,31.97576047,16.27344185,25.64360397,32.56266523,4.070333154,16.27344225,1.173809524,0.28245768,0.03530721,-1.011381236,28.05713832,3.50714229,2.667394468,0,11.89,15.99591765,-0.315928884,0.261460029,4.036120259,6.623571333,7,19,18,18,6,1,1,0,0,1,15.992484,3.537611022,3.132679512,2.842699184,2.108529945,1.882238485,1.332142787,0.972610279,0.083923071,1.79909224,1.643438346,1.290118796,0.886552498,0.713561051,0.392074982,0.083923071,0.083923071,3.443365196,3.123112474,2.789717709,2.092902871,1.825098464,1.401367708,0.604413297,0.270913902,1.775990975,1.590373658,1.267563122,0.830754764,0.636238179,0.394889304,0.270913902,0.270913902,3.625201307,3.330431606,3.028744274,2.441163083,2.214926603,1.85762264,1.226893445,0.943918427,1.563360397,1.322630809,0.971000445,0.406637391,0.19624047,0.115804251,0.943918427,0.943918427,3.435547041,3.136422988,2.786686652,2.107607415,1.855242905,1.461382187,0.459593576,0.399277246,1.773684874,1.553926179,1.253921883,0.788644534,0.587262223,0.328177801,0.399277246,0.399277246,3.648612275,3.400877003,3.083619582,2.548212571,2.331326302,2.029021227,1.208936353,1.207644823,1.525444925,1.253510269,0.914703197,0.30473534,0.071088462,0.275873142,1.207644823,1.207644823,4.857552016,3.394095407,3.285732229,2.630612111,2.399090604,1.704408762,1.52568637,0.590163934,1.631664843,1.392915434,0.969638151,0.508471971,0.33100058,0.184054463,0.590163934,0.590163934,0,0,1,0,0,3,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.40824829,0.552585858,0.288675135,0.083333333,0.112796116,0.058925565,6.405777394,3.808060412,2.682521985,1.562948829,1.129936127,0.288675135,0.144337567,0,0.800722174,0.54400863,0.383217426,0.260491471,0.225987225,0.144337567,0.144337567,0,5.437816924,2.964690378,1.55502117,0.75944935,0.437280567,0.144337567,0.072168784,0,0.679727116,0.423527197,0.222145881,0.126574892,0.087456113,0.072168784,0.072168784,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.3496,31.541,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,61,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,1,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.06416667,-0.087962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.119166667,0.5125,0,0,0,0,0,0,0,0,0,0,3.768333333,0,1.92212963,0,0,0,0,0,0,-0.087962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.42083333,4.643333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.643333333,-0.087962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305625,0.5125,0,0,0,0,0,0,0,0,0,0,1.813055556,0,0.498842593,0,0,0,0,0,0,-0.087962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.42083333,4.643333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.42083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,1.955277778,0,0.873842593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.42083333,4.643333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.66666667,2.583333333,0.577083333,10.42083333,0.265555556,-0.087962963,2.566789259,1.75462963,3.420833333,9.128333333,1.75462963,3.420833333,9.128333333,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.36364,0.13636,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,5.68199,0.71025,8.49821,2.81622,0.35203,2.72862,0.34108,3.80805,1.07943,0.13493,0.10595,0.01324,0.10595,0.01324,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,2.070950594,3.246439345,3.546439345,3.446439345,2.892598565,25.90923688,41.41901189,64.92878689,70.92878689,68.92878689,57.8519713,0.299741647,0.479172848,0.751155335,0.820568799,0.797430977,0.669284287,3.026466251,2.2509775,1.07548875,0.77548875,0.87548875,1.42932953,0.299741647,0.479172848,0.751155335,0.820568799,0.797430977,0.669284287,12.01211119,21.71746765,24.00137214,24.30371965,23.10371965,18.65606528,29.38046565,17.93632218,16.35670797,15.69343894,17.0865958,18.42570357,8,5.142857143,5,8,3,4,1.9,1.0284,0.166666667,2.481111325,0.666666667,0,1.310370697,1.889881575,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,3.358,7,6,5,2,1,0,0,0,0,36,2.197224577,2.302585093,2.197224577,2.079441542,1.098612289,0.693147181,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.666666667,0.375,0.08,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.0625,0.016,0.027777778,0,0,0,0,0,0.415801587,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,26.3,127.2763612,4,3.36729583,4.007333185,4.709530201,5.370638028,6.084499413,6.751101469,7.467942332,8.135932772,8.853522561,69.74779579,2.708050201,0,3.761200116,0,4.990432587,0,6.304448802,0,7.656810091,7.96241568,116.0837296,5.804186481,14.6584741,1.832309262,5.257553224,5.257553224,0,75,6,1.486,28,1.230631579,2.107692726,2.83790034,3.685315237,4.837303943,5.714353202,6.877477724,7.811163989,0,0,94.58963281,102.410161,103.9696851,172.6294289,123.8158628,87.68888911,34.63293718,7.936642527,0,0,279.0386343,308.5179451,345.692627,541.1101439,590.5811098,561.5951989,422.2870862,242.8002251,0,0,9.500427541,16.2091211,21.77606087,29.09430426,38.59910456,39.86715944,47.20103442,52.47902406,0,0,1.953218228,2.322757739,2.627486544,3.943137699,4.703755219,5.341560945,4.725163205,3.472944311,0,0,180.0610686,338.6383165,480.1443277,598.7349254,807.9290195,941.6552918,1192.516008,1444.422104,0,0,3.629951754,6.387920945,7.452444857,13.22144738,15.49822181,8.819608703,9.370032032,7.811163989,0,0,0.448387105,0.564458264,0.65428571,0.993848441,1.160595613,1.153783288,1.047229192,0.799863192,0,0,350.4533653,257.3527537,11.84709391,181.5206099,-133.2982743,-19.82019994,168.9327554,390.651028,31.66729384,0.658779154,0.483769443,0.022270063,0.341220846,-0.250572924,-0.037257838,186.4320699,136.9049674,6.302345641,96.56424046,-70.91121287,-10.54383055,0.356006591,0.430170979,2.015266895,4.336776503,481.9716257,50.00234953,0.906006023,0.093993977,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,971.5275797,31.16933717,9.904176654,1.993727069,1.993727069,659.3854423,597.8854594,78.22937909,1.102862483,8.428872246,7.642722803,4.120236011,4.434143809,8.525339268,0.922657368,3.360032699,4.293028381,3.240085853,11.33115018,5.582960372,1.729145221,3.725581991,6.01877549,2.067922781,2.379333134,3.09487782,2.381686651,1.639284772,3.215169661,0.041033352,1.975447144,3.28E-10,1.11E-41,7.22E-95,9.06E-170,2.20E-266,0,0,0,0,0,0,0,0,0,0.298491782,4.443993512,0.286487086,3.380371613,0.198553387,1.674762016,0.528048428,0.545834436,0.035481068,0.18264164,1.930208602,0.109958855,0.217084039,0.022736344,0.003440122,0.013913236,2.31E-12,7.81E-44,5.08E-97,6.38E-172,1.55E-268,0,0,0,0,0,0,0,0,0,0.91615042,4.162911006,0.669223861,3.858250584,0.594498281,1.526609338,0.798792738,1.169392749,0.185643936,0.376725247,2.146680987,0.414211176,0.355183871,0.236208745,0.011107455,0.144986644,2.41E-11,8.13E-43,5.30E-96,6.65E-171,1.61E-267,0,0,0,0,0,0,0,0,0,3.176711882,4.44359216,3.540745267,12.06376422,5.525413073,1.809895144,3.798421291,6.253598238,1.853500277,2.675154216,3.016056015,2.18620294,1.498374758,2.86472069,0.038729712,1.76008784,2.92E-10,9.87E-42,6.43E-95,8.07E-170,1.96E-266,0,0,0,0,0,0,0,0,0,1.342655413,4.056109269,0.855571454,4.238142845,0.943026089,1.479427549,1.029370938,1.555316764,0.367495943,0.453557981,2.301595452,0.67041657,0.495176899,0.512852985,0.016372694,0.314930364,5.23E-11,1.77E-42,1.15E-95,1.44E-170,3.50E-267,0,0,0,0,0,0,0,0,0,4.057749124,4.38850086,4.430148338,14.91546658,8.140938654,1.831598152,5.036179549,8.295412795,2.976984805,3.446462693,3.39525969,3.169524351,2.222146841,4.688727234,0.049565205,2.881004004,4.79E-10,1.62E-41,1.05E-94,1.32E-169,3.20E-266,0,0,0,0,0,0,0,0,0,2.093644735,4.437090455,2.787832971,13.84667035,4.137845577,1.850732743,3.301394173,6.691945823,0.762161154,2.158107699,2.587399245,1.040634223,0.878793043,1.120233593,0.028567338,0.68803534,1.14E-10,3.86E-42,2.51E-95,3.16E-170,7.65E-267,0,0,0,0,0,0,0,0,0,7.657035099,0.804275432,0.414987615,0.86263834,0.09060933,0.607354384,0.476857155,0.499981437,8.876298146,9.66970429,21.10164773,0.79395751,1.584192977,5.100960598,0.638918684,0.072022644,0.877674927,0.109932806,0.269428505,0.300847849,0.015059888,5.811901926,3.672500317,9.719131172,0.81651239,0.585336241,6.515520851,0.615744993,0.210524282,0.887456702,0.083868509,0.439699572,0.279513342,0.128673169,7.341790125,5.513203957,13.69959631,0.831185053,0.847886083,7.369867247,0.820344462,0.391942828,0.858743246,0.09558724,0.562630282,0.496115069,0.445994038,8.582154537,9.25592452,20.20769868,0.788114869,1.504739389,7.132247079,0.630391349,0.281990891,0.886584925,0.078361765,0.526926243,0.292963688,0.230862698,8.044629319,6.685100179,15.99759067,0.829877387,1.05075263,7.732411114,0.836856981,0.437491478,0.858511993,0.092914324,0.619375155,0.516272322,0.555677491,9.006759573,10.21990398,22.05763688,0.78776799,1.691324967,7.43027877,0.834180404,0.395511045,0.858002809,0.096326013,0.571918528,0.512975106,0.454151592,8.659970219,9.466877833,20.57830182,0.787004213,1.539045226 +UMLYSI0354,L,1-pentanol,CCCCCO,saturated alcohols,C5H12O,71-41-0,6276,PubChem,,25.4,0,-1.2614,1.59112996,21.9103,17.603516,0,0,18,6,12,0,5,0,1,0,0,0,0,0,0,0,989.481374,918.525433,882.250368,702.766727,506.009998,309.253269,68.616576,3.048192,0,2706.980219,3340.91352,4020.152774,3541.778085,2534.97974,1528.181395,609.4474637,93.25123329,0,131.675864,127.961068,226.744392,278.07338,215.18848,152.30358,89.278848,20.155392,0,19.92305886,25.2786954,33.93166389,32.46855441,23.44702555,14.42549669,6.274751507,1.333838715,0,3038.434891,2530.053054,4954.724373,6619.369302,5140.414147,3661.458992,2188.016594,554.7529561,0,61,42.75,63.5,68.25,56,46,28,3,0,54.97118744,54.03090782,28.45968929,18.01965967,16.86699993,14.72634614,5.718048,1.016064,0,150.3877899,196.5243247,129.6823476,90.81482268,84.49932466,72.77054261,50.78728864,31.08374443,0,7.315325778,7.527121647,7.314335226,7.130086667,7.172949333,7.252551429,7.439904,6.718464,0,1.106836603,1.486982082,1.094569803,0.832527036,0.781567518,0.686928414,0.522895959,0.444612905,0,168.8019384,148.8266503,159.8298185,169.727418,171.3471382,174.3551901,182.3347162,184.917652,0,3.388888889,2.514705882,2.048387097,1.75,1.866666667,2.19047619,2.333333333,1,0,0.22573249,-0.100514002,-0.032020189,0.014958609,0.002432924,0.010038884,-0.022237835,0.014475364,0,557.7912351,-66.11605249,-247.6862595,9.014800148,8.57301837,8.131236593,-36.19050919,45.37814848,0,815.6252945,-79.2452518,-391.8080059,-21.16471581,-22.12162343,-23.07853106,64.02897524,65.57650547,0,1.059967111,-0.095141383,-0.160292247,-0.007095852,-0.02999763,-0.052899407,-0.215633185,0.031076148,0,3.576219349,-0.265723223,-1.599743732,-0.228388224,-0.249316669,-0.270245113,0.579610118,0.245697168,0,19.7674611,-1.32649563,-8.475072046,-1.482417455,-1.636833706,-1.791249958,3.567090448,1.261247796,0,23.44444444,-2.669753086,-3.265432099,-0.601851852,-1.296296296,0.259259259,-4.740740741,0.592592593,0,0.012540694,-0.005912588,-0.001032909,3.84E-04,8.11E-05,4.78E-04,-0.001853153,0.004825121,0,30.98840195,-3.889179558,-7.989879338,0.231148722,0.285767279,0.387201743,-3.015875765,15.12604949,0,45.31251636,-4.6614854,-12.63896793,-0.542685021,-0.737387448,-1.09897767,5.335747937,21.85883516,0,0.058887062,-0.005596552,-0.005170718,-1.82E-04,-1.00E-03,-0.002519019,-0.017969432,0.010358716,0,0.198678853,-0.015630778,-0.051604637,-0.005856108,-0.008310556,-0.012868815,0.048300843,0.081899056,0,1.098192283,-0.078029155,-0.273389421,-0.038010704,-0.054561124,-0.085297617,0.297257537,0.420415932,0,1.302469136,-0.157044299,-0.105336519,-0.015432099,-0.043209877,0.012345679,-0.395061728,0.197530864,0,-0.471472185,-0.082364607,0.030584757,0.006466744,0.038119269,-0.147771161,0.384757131,0,-0.12550436,-0.257834507,0.007459201,0.009221749,0.012495054,-0.097322726,0.488119701,0,-0.102874123,-0.278928847,-0.011976493,-0.016273372,-0.024253292,0.117754395,0.482401705,0,-0.095038736,-0.087807364,-0.003089727,-0.016980317,-0.042777128,-0.305150768,0.175908183,0,-0.078673586,-0.25973895,-0.029475247,-0.04182909,-0.064771941,0.243110137,0.412218285,0,-0.071052361,-0.248944948,-0.034612066,-0.049682669,-0.077670931,0.270678953,0.382825429,0,-0.120574296,-0.080874484,-0.011848341,-0.033175355,0.009478673,-0.303317536,0.151658768,0,1.377328367,0.820073639,0.652465777,0.844727072,1.143010033,2.119468547,1.312774743,0,1.409452341,1.299983183,0.844100919,0.851346434,0.86480239,1.009887708,0,0,1.590373361,1.429970025,0.896011602,0.851994473,0.770248377,0.412923289,0,0,1.043987109,0.907205263,0.701606094,0.886730406,1.230532699,2.276926622,0,0,1.655711089,1.449519548,0.906840562,0.859948594,0.772863512,0.210202669,0,0,1.661705788,1.442082416,0.905166005,0.863279785,0.785491089,0.195938841,0,0,1.077014218,0.894702645,0.701877506,0.90035545,1.19126608,2.296208531,0,0,23.14377758,11.69688879,18.94636409,23.31044425,3.885074041,11.69691111,0.25,0.036155941,0.00602599,-1.991948399,18.62484989,3.104141649,1.754698023,23.14692213,11.69809386,18.94814732,23.31309919,3.885516531,11.69811614,0.249265579,0.036052813,0.006008802,-1.993662227,18.6252979,3.104216316,1.754712455,25.94964672,12.77532612,20.663539,25.6836504,4.2806084,12.775333,-0.398994478,0.060998398,0.0101664,-1.678144605,20.77196882,3.461994804,1.820162655,23.15022245,11.69935862,18.95001919,23.31588565,3.885980941,11.69938088,0.2484948,0.035944559,0.00599076,-1.995466525,18.62577149,3.104295248,1.754727711,28.94677118,13.93223846,22.80410907,28.22524167,4.704206945,13.93224055,-1.082294264,0.164864655,0.027477443,-1.081578247,42.33058336,7.055097227,2.247305901,23.47332737,11.82323078,19.13484058,23.58875016,3.931458359,11.82325009,0.173134186,0.025259446,0.004209908,-2.207133067,18.68943821,3.114906369,1.756775138,23.03691779,11.82620881,19.48746369,23.4301954,3.905032566,11.82623158,0.666666667,0.066589932,0.011098322,-1.625521131,17.55110964,2.925184941,1.719070305,0,11.99640057,15.99794223,-0.421714982,0.069668873,3.866715036,6.502134896,5,17,17,17,5,0,0,0,0,0,13.118484,3.422805853,3.00132027,2.403300765,1.789381624,1.333984586,1.108496555,0.083923071,0.083923071,1.855568121,1.535792284,1.120823211,0.766825344,0.558139436,0.386573861,0.083923071,0.083923071,3.436435292,2.985842344,2.37120776,1.774868815,1.361874779,1.152806305,0.270913902,0.270913902,1.799599016,1.481127305,1.054040968,0.668848612,0.427420601,0.311716277,0.270913902,0.270913902,3.584766065,3.208777855,2.690630392,2.191631401,1.855213729,1.704496246,0.943918427,0.943918427,1.597519284,1.199038329,0.670739408,0.190012064,0.114132578,0.301834162,0.943918427,0.943918427,3.455484601,3.00353895,2.393150711,1.812920693,1.424138864,1.18872514,0.399277246,0.399277246,1.764830856,1.447672037,1.011490763,0.605199853,0.343897447,0.228965009,0.399277246,0.399277246,3.64552063,3.280994681,2.787973342,2.328142098,2.028768126,1.892142226,1.207644823,1.207644823,1.538540252,1.124428199,0.568090895,0.047324112,0.294981962,0.475115402,1.207644823,1.207644823,4.406885283,3.437484355,2.919207548,2.267071505,1.764117782,1.503262844,0.625,0.625,1.688076818,1.247903895,0.745989022,0.344774925,0.115587506,0.34430285,0.625,0.625,0,0,0,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.27564072,2.523334547,1.430713579,0.761667274,0.361803399,0.111803399,0,0,0.712606787,0.504666909,0.357678395,0.253889091,0.180901699,0.111803399,0,0,8.965765927,17.6576839,16.70196078,16.96,10.27156647,139.5813569,0.498098107,0.980982439,0.92788671,0.942222222,0.570642582,7.754519827,1.1689,26.6108,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,1,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.708611111,0,8.197361111,0,0,0,0,0,0,0,0,0,0,0.708611111,0,0,0,0,0,0,0,0,0,0,0,0,0,1.491388889,0,0,0,0,0,0,0,0,0,0,0,2.120694444,0,3.681944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.197361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.708611111,0,8.197361111,0,0,0,0,0,0,0,0,0,0,0.708611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0.227777778,0,0,0,0,0,0,0,0,0,0,0,2.120694444,0,0.355,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.197361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.708611111,0,8.197361111,0,0,0,0,0,0,0,0,0,0,0.708611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.120694444,0,1.195,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.197361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,2.333333333,0.708611111,8.197361111,0.227777778,0.355,2.690837222,1.145,2.197361111,4.636111111,1.145,2.197361111,4.636111111,2.83333,0.47222,0,0.02778,0.47593,0.82778,0.42,0.47593,0.75238,0.05593,0,-0.05593,0.0754,0.57047,0.14382,0,0.29412,0,0,2.75,0.45833,2.75,0.45833,0,0,-2.75,-0.45833,0,0,4.59002,0.765,5.31294,0.72292,0.12049,2.57596,0.42933,2.91421,0.33826,0.05638,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5.01,1,1,1,1,1,1,1,1.134969975,1.791667484,2.932999307,3.197159723,2.744842532,2.728286642,20.42945954,32.25001472,52.79398752,57.54887502,49.40716557,49.10915955,0.272179949,0.429664199,0.703369798,0.766718759,0.658247458,0.654277149,3.034955027,2.378257517,1.236925695,0.972765278,1.42508247,1.44163836,0.27767102,0.438332421,0.71755987,0.78218686,0.671527213,0.667476806,10.25843817,15.10631013,19.16027043,16.52280039,17.74928855,13.86100642,21.93297423,17.39589441,14.20167153,16.72999237,15.59952828,10.93483321,6,5,5.333333333,6,0,5,1.9,0.8718,0,1.807204007,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.385,0.375,0.449,0.205,3.119,4,3,2,1,0,0,0,0,0,21,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,0,3.091042453,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.6,5,1,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,20.23,103.8266085,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,88.088815,4.893823056,10.83915043,1.806525072,2.388325215,2.388325215,0,35,3,1.42,18,1.216411765,2.11006247,2.820168572,3.492519605,4.812573643,5.653722255,6.460273514,0,0,0,77.15821427,67.02812621,62.11689876,77.54028712,84.38132216,36.04041237,6.564051348,0,0,0,263.9099389,291.9870869,279.8113836,346.69642,376.6552094,301.1484251,200.8094909,0,0,0,9.180431628,15.48884656,20.18605168,25.42265004,35.19742156,42.68683402,43.40311503,0,0,0,1.941447524,2.418394539,2.470577462,3.034419922,3.431064793,2.997992523,2.872320973,0,0,0,178.6200885,334.0943075,475.795441,587.2287439,833.9160298,1029.898466,1194.61861,0,0,0,3.126661765,4.434832255,5.132251777,7.279837641,11.38587879,14.33378582,6.460273514,0,0,0,0.425350094,0.541035431,0.56433708,0.712387705,0.854858576,0.815685247,0.661532008,0,0,0,327.1601902,195.6817988,12.87848047,185.0298507,-110.6704762,-23.84531022,142.1303395,306.352275,36.72379069,0.63874766,0.382049207,0.025143949,0.36125234,-0.216073073,-0.046555591,167.5681912,100.2262686,6.596229437,94.77044683,-56.68431572,-12.21333042,0.350636576,0.661579961,6.135628212,25.22816081,456.558301,55.63173995,0.891384573,0.108615427,346.0061755,18.60124124,7.020390718,470.5945044,21.69319028,7.778256915,503.0112466,22.42791222,7.9529069,2.410647154,2.410647154,437.2252739,419.6281291,34.28492569,1.041935094,12.75269715,12.23943528,3.628872352,3.730373775,6.773216466,0.815693781,3.782243497,4.176870301,3.597186983,14.49194314,5.371441006,0.093777308,3.627523462,4.927093079,3.575916043,0.318614534,3.402430181,0.484708863,0.011680389,2.30E-23,8.71E-66,6.37E-130,8.98E-216,2.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0.337322539,4.303721764,0.323089827,3.311050318,0.040041671,0.023741754,0.463569432,0.188399882,1.29956915,0.020779403,0.289345176,0.003539814,0.001305622,2.57E-24,9.73E-67,7.12E-131,1.00E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,0.969469194,4.067499105,0.788144607,4.051487301,0.399911615,0.018991856,0.895708241,0.756484093,1.470667732,0.071005467,0.550145717,0.035715565,0.002261775,4.45E-24,1.69E-66,1.23E-130,1.74E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,3.793087398,4.303403082,3.884020074,13.50943419,4.787379313,0.091364038,4.048375527,4.495778573,4.036686794,0.296642518,3.32446535,0.432287161,0.014670636,2.88E-23,1.09E-65,8.00E-130,1.13E-215,3.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,1.361918399,3.977743856,1.025967849,4.976489863,0.863222765,0.021829965,1.080848837,1.264982271,1.511551833,0.108622072,0.794944164,0.077311893,0.002239667,4.40E-24,1.67E-66,1.22E-130,1.72E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,4.748236975,4.257115755,4.831173824,19.61837196,7.826533211,0.131059827,4.888017118,6.68440634,4.700274152,0.404212104,4.727266734,0.706903616,0.017059309,3.35E-23,1.27E-65,9.30E-130,1.31E-215,3.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,3.635247932,4.958016014,4.916674399,8.93023924,2.104035305,0.09109681,5.73956019,2.315112201,6.234283463,0.171548788,3.196703036,0.191596765,0.027373951,5.38E-23,2.04E-65,1.49E-129,2.10E-215,4.9E-323,0,0,0,0,0,0,0,0,0,0,0,0,4.53580235,0.786013003,0.459950342,0.784501239,0.135946879,0.56364119,0.621592293,0.555541736,5.781765694,6.012970415,13.43455089,0.676751858,1.740775219,4.874340515,0.294580158,0.094672025,0.926048195,0.055965607,0.651288886,0.087354704,0.023536297,5.263592699,1.925236187,7.324766931,0.889072292,0.762179887,4.31642789,0.511101946,0.250165459,0.850076194,0.100656285,0.511587842,0.262818363,0.16434235,5.077695296,3.413815916,9.043409912,0.775114291,0.938748555,4.670798288,0.760313463,0.442572248,0.795207623,0.129444053,0.597452764,0.581216295,0.514355223,5.873683999,5.954930156,13.40030806,0.692811434,1.693024282,4.179067822,0.60871123,0.321826151,0.817884681,0.119130775,0.479722848,0.372623817,0.271980308,5.109605202,4.084678016,10.01295923,0.726827022,1.124326974,4.607485667,0.815170311,0.482979557,0.780184561,0.138032614,0.581372816,0.668128699,0.612565168,5.905635535,6.374917507,14.09456897,0.670276841,1.862066683,4.684418443,0.7614691,0.44378337,0.795361661,0.129288904,0.600896132,0.582889313,0.517174196,5.889670914,5.983834224,13.45649812,0.693042492,1.700959641 +UMLYSI0355,L,ethyl-2-methyl-2-propenoate,C=C(C)C(=O)OCC,unsaturated esters,C6H10O2,97-63-2,7343,UML,,25.4,0,1.4155,2.00364025,30.7114,18.83193,0,0,18,8,10,0,6,0,2,0,0,0,0,0,0,0,1387.681368,1274.619331,1570.969828,1449.110603,885.11208,482.194274,143.338608,15.24096,0,3284.720409,3749.622277,4378.710271,4170.064069,3317.629323,2469.914092,1572.940224,466.2561665,0,139.131168,131.440036,217.4818,219.386324,222.208392,128.90612,145.478592,100.77696,0,22.46593705,26.3090631,31.57870631,29.90901311,24.35865481,20.54463568,16.69511646,6.669193573,0,2980.845228,2498.432887,4533.593942,4522.834669,4631.056368,2646.612115,3533.524545,2773.76478,0,96.05555556,57.86111111,97.66666667,110,105.6666667,53.5,35,15,0,77.09340933,74.97760771,56.10606529,51.75395011,32.78192889,28.36436906,6.825648,1.016064,0,182.4844672,220.5660163,156.3825097,148.9308596,122.8751601,145.2890642,74.90191545,31.08374443,0,7.729509333,7.731766824,7.767207143,7.835225857,8.229940444,7.582712941,6.927552,6.718464,0,1.248107614,1.547591947,1.12781094,1.06817904,0.9021724,1.208507981,0.795005546,0.444612905,0,165.6025127,146.9666404,161.9140694,161.5298096,171.5206062,155.6830656,168.2630736,184.917652,0,5.336419753,3.403594771,3.488095238,3.928571429,3.913580247,3.147058824,1.666666667,1,0,0.279121501,-0.191537799,0.046046836,0.107894901,-0.103753374,-0.01729,0.004482233,0.014596454,0,663.856216,-9.534489444,208.2764804,-8.645672556,-447.424,-453.0910931,-48.176,426.6666667,0,866.1096724,-133.5335166,128.2444404,-186.2912319,-7.965683088,-543.6188755,-232.8477432,542.9577737,0,1.881856,-0.014157778,0.709769778,-0.318242222,-1.641856,-0.421847111,0.315298667,0.430106667,0,3.87734243,-0.994912954,0.177467674,-1.629625362,1.630828132,-1.661953649,-1.291946009,1.831470954,0,21.92945949,-6.116843013,0.588975891,-10.42168325,11.05564881,-7.827084205,-7.304398573,9.060654595,0,37.97530864,-4.044581619,11.67729767,5.448902606,-30.85185185,-12.89643347,2.167695473,9.511316872,0,0.01550675,-0.011266929,0.00164453,0.003853389,-0.003842718,-0.001017059,2.13E-04,9.73E-04,0,36.88090089,-0.56085232,7.43844573,-0.30877402,-16.57125926,-26.65241724,-2.294095238,28.44444444,0,48.11720402,-7.854912743,4.580158585,-6.653258283,-0.2950253,-31.97758091,-11.08798777,36.19718492,0,0.104547556,-8.33E-04,0.025348921,-0.011365794,-0.060809481,-0.024814536,0.015014222,0.028673778,0,0.215407913,-0.058524291,0.006338131,-0.058200906,0.060401042,-0.097761979,-0.061521239,0.122098064,0,1.218303305,-0.359814295,0.021034853,-0.372202973,0.409468475,-0.460416718,-0.347828503,0.60404364,0,2.109739369,-0.237916566,0.417046345,0.194603665,-1.14266118,-0.758613734,0.103223594,0.634087791,0,-0.726582253,0.106052517,0.248497545,-0.247809345,-0.065588136,0.013764306,0.062753118,0,-0.015207121,0.201688287,-0.008372193,-0.44931818,-0.722661773,-0.062202798,0.771251346,0,-0.163245411,0.095187546,-0.138271922,-0.006131389,-0.664576871,-0.230437075,0.752271161,0,-0.007965853,0.242463064,-0.108714102,-0.581644221,-0.237351661,0.143611413,0.274265406,0,-0.271690537,0.029423855,-0.270189266,0.280403079,-0.453845813,-0.285603429,0.566822555,0,-0.29534049,0.017265695,-0.305509286,0.336097319,-0.377916333,-0.285502389,0.495807273,0,-0.112770596,0.197676714,0.092240619,-0.541612484,-0.359576991,0.048927178,0.300552666,0,1.719644025,0.936603934,1.349862858,1.758958786,0.554224067,0.127508071,0.010241036,0,0.947774903,0.780966112,1.009000554,1.573464264,1.601990235,0.811970995,0,0,1.359308315,0.883790861,1.095001955,0.785648059,1.70409755,1.157304946,0,0,0.720180503,0.801128552,1.256714762,2.421879369,0.974602733,0.056110917,0,0,1.589299252,0.967794252,1.24479555,0.487559907,1.56446515,1.15568444,0,0,1.626717752,0.987660707,1.292930966,0.47227925,1.495798508,1.109957951,0,0,0.690507152,0.533149789,0.877332285,2.595456762,1.600820871,0.213171094,0,0,28.59754141,14.5487707,22.06996275,28.97254141,3.621567676,14.54877252,0.5,0.103812278,0.012976535,-1.812136823,53.79878334,6.724847917,3.188200682,28.61000682,14.55426899,22.07919497,28.98390519,3.622988149,14.5542708,0.498531158,0.104082418,0.013010302,-1.810057767,53.61884349,6.702355437,3.185520451,39.73012259,19.46606682,30.64072109,39.13163087,4.891453859,19.46606683,-0.797988956,0.249681916,0.03121024,-1.110054005,27.31415268,3.414269085,2.645923985,28.62308976,14.56003968,22.08888593,28.99583196,3.624478995,14.56004148,0.4969896,0.10436556,0.013045695,-1.807884436,53.43218232,6.67902279,3.182730584,51.605051,24.72023123,40.08498138,49.9816096,6.2477012,24.72023123,-2.164588529,0.310948149,0.038868519,-0.934503284,25.2208261,3.152603263,2.582136069,29.90425926,15.12526382,23.04434414,30.16396054,3.770495068,15.1252648,0.346268372,0.130287627,0.016285953,-1.630408608,41.91787306,5.239734132,2.98856984,31.87354546,16.21153132,24.83983865,32.29537085,4.036921357,16.21153171,0.843650794,0.035126047,0.004390756,-2.679049866,61.12853681,7.641067102,3.290383046,0,11.89,15.99591765,-0.312374659,0.288301918,4.283682395,7.295817766,7,17,15,15,5,2,2,0,0,2,13.80607,3.600455513,3.126070169,2.686499773,2.220533191,1.901287164,0.98665517,0.592957221,0.083923071,1.759120845,1.628787727,1.138459971,0.924322496,0.664016933,0.083923071,0.083923071,0.083923071,3.515325592,3.109891871,2.549270124,2.279623962,1.848380721,0.626790439,0.583116423,0.270913902,1.762505589,1.566247162,1.075778548,0.937089753,0.657524263,0.270913902,0.270913902,0.270913902,3.65855428,3.310993999,2.841403093,2.568413256,2.237879128,1.228715703,1.008472594,0.943918427,1.589398358,1.3079467,0.721152003,0.575448128,0.223487593,0.943918427,0.943918427,0.943918427,3.50294628,3.123711725,2.514525921,2.31864829,1.880259717,0.638743121,0.459503702,0.399277246,1.772928914,1.526444352,1.072615987,0.897469225,0.611292254,0.399277246,0.399277246,0.399277246,3.668208399,3.38012745,2.875953245,2.68631765,2.356253188,1.208936448,1.207644823,1.207644823,1.569211291,1.238122781,0.669220034,0.483135077,0.096653722,1.129897964,1.207644823,1.207644823,4.402642419,3.382398483,3.19658194,2.512678361,2.34240681,1.488342798,0.86027564,0.507042254,1.607752077,1.487114183,0.814420294,0.626404285,0.297522938,0.507042254,0.507042254,0.507042254,0,0,2,0,1,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.218443362,0,0.029462783,0,1.207106781,0.666666667,0.666666667,0.244929799,0.130789935,0.122160486,6.568914101,3.680739213,3.009975955,1.882088123,0.788675135,0.333333333,0,0,0.821114263,0.525819888,0.376246994,0.268869732,0.197168784,0.166666667,0,0,5.230710143,2.507583597,1.500800266,0.623893629,0.254294169,0.12319982,0,0,0.653838768,0.358226228,0.187600033,0.089127661,0.063573542,0.06159991,0,0,10.13873723,18.10050983,17.3254902,17.6,10.9532515,138.193012,0.563263179,1.00558388,0.962527233,0.977777778,0.608513972,7.677389554,1.05179,31.177,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,54,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,2,1,0,1,0,0,0,0,0,0,0,0,2,1,1,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.98587963,3.537407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.514652778,0,0,0,0.975208333,0.458680556,0,0.514652778,0,0,0,0,0,0,0,0,3.387731481,3.39912037,0.422314815,0,0,0,0,0,0,0.138287037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.42106481,4.564814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.564814815,-0.3125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.514652778,0,0,0,0.393680556,0.458680556,0,0.514652778,0,0,0,0,0,0,0,0,1.623009259,3.39912037,0.422314815,0,0,0,0,0,0,-0.3125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.42106481,4.564814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.42106481,3.39912037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.514652778,0,0,0,0.581527778,0.458680556,0,0.514652778,0,0,0,0,0,0,0,0,1.764722222,3.39912037,0.422314815,0,0,0,0,0,0,0.450787037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.42106481,4.564814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.33333333,2.791666667,0.616319444,10.42106481,0.286458333,-0.3125,2.728477546,1.979166667,3.421064815,9.77,1.979166667,3.421064815,9.77,3.66666,0.45833,0,0.04167,0.56296,0.89167,0.42308,0.53667,0.89167,0.13989,0.0263,-0.11359,0,0.51402,0.20027,0,0.5,0.27273,0,7.25,0.90625,4.25,0.53125,3,0.375,-1.25,-0.15625,0,0,4.63197,0.579,9.01229,4.38033,0.54754,2.02094,0.25262,3.68073,1.65979,0.20747,0.23327,0.02916,0.23327,0.02916,0,7.02,2,2,2,2,0,0,0.5,1.351644115,2.725480557,3.419381946,3.308270835,3.419381946,2.956056945,24.32959407,49.05865003,61.54887502,59.54887502,61.54887502,53.20902502,0.324141109,0.653604215,0.820010419,0.793364589,0.820010419,0.708899307,2.818280886,1.444444444,0.750543056,0.861654167,0.750543056,1.213868056,0.318189072,0.641602416,0.804952988,0.778796442,0.804952988,0.695882153,12.44827692,24.96954922,25.66888041,24.33554708,25.66888041,19.1835085,29.36606616,16.91061112,16.04026806,17.48688473,16.04026806,12.79699306,8,3.9375,3.673469388,8,5,3,1.9,0.9854,0.814325285,1.190550789,3.14734519,0,0,0.816496581,0,1,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.443,0.43,0.574,0.215,3.228,8,7,4,2,0,0,0,0,0,36,2.302585093,2.564949357,2.63905733,1.945910149,1.386294361,0,0,0,0,0,3.951243719,1.416666667,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,5,0.714285714,0,3,5,0.666666667,2,1.111111111,0.375,0.16,0,0,0,0,0,0,0.285714286,0.138888889,0.053571429,0.04,0,0,0,0,0,0,0.518174603,18.18147764,27.13286733,36.36295528,4.54536941,18.18147768,0.105383517,0.01317294,-1.800119235,36.14664996,4.518331245,2.870067419,26.3,124.6399025,4,3.433987204,4.110873864,4.844187086,5.556828062,6.289715571,7.01301579,7.744569809,8.471568013,9.202207389,71.66695279,2.708050201,0,3.850147602,0,5.176149733,0,6.577861358,0,8.011355109,8.288283045,114.0680796,6.337115531,14.49604135,1.812005168,5.21963085,5.21963085,0,70,7,1.137,30,1.221294118,2.101672735,2.916207871,3.659396425,4.805073206,5.444806752,6.113160792,0,0,0,100.97555,128.4221945,159.9313087,133.3969449,146.684255,39.35215289,6.211362607,0,0,0,287.4632595,351.7533082,455.0997057,486.6315428,726.244497,424.3278445,190.0199277,0,0,0,9.511968256,16.43664311,22.90688198,29.91606102,36.2552791,37.7979219,41.0710507,0,0,0,1.974928155,2.493359021,3.229980608,3.551360439,5.996131167,4.460605164,2.717990177,0,0,0,178.2188624,336.765585,468.1354656,620.3732862,743.0013935,909.8880077,1130.43134,0,0,0,4.268035948,7.63916608,11.61987284,13.99962103,14.90032369,9.384392127,6.113160792,0,0,0,0.457131176,0.609112503,0.819671315,0.913498339,1.335142347,0.977132155,0.625987665,0,0,0,339.5373453,250.6363973,14.59482773,139.9339899,-103.2951207,-18.96954269,199.6033554,353.931518,33.56437042,0.708149415,0.522734893,0.030439417,0.291850585,-0.215435446,-0.039563455,162.7984243,120.172968,6.997801538,67.09433698,-49.52704946,-9.095351963,0.390528477,0.423125532,3.979236447,4.771853368,422.7190284,56.75230678,0.881635663,0.118364337,622.2911165,24.9457635,8.53750951,719.5861019,26.82510209,8.961091715,1073.314769,32.76148301,10.23864225,1.696192456,1.686419624,504.8665337,404.9465629,109.990901,1.246748534,4.590075446,3.68163693,3.943298711,4.210482197,7.435250042,0.765890388,2.9655644,2.581925407,4.112434008,6.63747794,5.056472083,5.573768021,3.495139105,6.905212499,2.954863601,4.747311291,1.250092678,2.866812751,1.788180625,1.315072079,2.82E-14,1.16E-49,9.26E-107,1.42E-185,4.21E-286,0,0,0,0,0,0,0,0,0,0,0,0.265401585,2.732974463,0.731790269,3.504263436,1.262512313,3.057726989,0.343775741,1.404123338,0.204419615,0.178727678,0.118549222,0.122934479,0.014823891,0.00926216,1.98E-16,8.19E-52,6.52E-109,1.00E-187,2.97E-288,0,0,0,0,0,0,0,0,0,0,0,0.809295249,2.451886222,0.893159148,3.609114242,1.146520349,2.754733389,0.607331009,2.171065111,0.592248344,0.721640808,0.296427651,0.474375199,0.136970585,0.09651885,2.07E-15,8.53E-51,6.79E-108,1.04E-186,3.09E-287,0,0,0,0,0,0,0,0,0,0,0,2.804366892,2.732498356,4.547251137,6.752700548,5.648798812,5.696456398,4.121920435,6.874919613,2.725071045,4.329786916,1.162037601,2.625023389,1.594771947,1.171705547,2.51E-14,1.04E-49,8.25E-107,1.27E-185,3.75E-286,0,0,0,0,0,0,0,0,0,0,0,1.185162898,2.345077164,1.077480373,3.862021913,1.156425854,2.813285645,0.662630794,2.693603182,0.910024714,1.210023513,0.434300238,0.77757876,0.29203191,0.20965184,4.49E-15,1.85E-50,1.48E-107,2.27E-186,6.72E-287,0,0,0,0,0,0,0,0,0,0,0,3.581368171,2.67735936,5.635619654,7.635493993,7.151685558,6.832565398,5.086998563,8.87267615,3.875411114,6.449721909,1.597447449,3.845856885,2.600621086,1.917909035,4.11E-14,1.70E-49,1.35E-106,2.07E-185,6.14E-286,0,0,0,0,0,0,0,0,0,0,0,1.671398339,2.381423938,3.79361254,7.950977121,3.924574673,5.356890304,4.298778626,4.85717603,1.222328455,1.4942477,0.603066707,1.422514897,0.467182554,0.33809431,7.24E-15,2.99E-50,2.38E-107,3.66E-186,1.08E-286,0,0,0,0,0,0,0,0,0,0,0,5.626598969,1.4191739,0.277576017,0.768309561,0.193787558,0.624635036,0.527396721,0.33332195,7.323348886,9.94085997,19.48068733,0.652464342,1.485353707,3.518032192,0.970552471,0.044122681,0.776143688,0.214122024,0.241958266,0.240198974,0.008422166,4.532707343,3.612483223,8.295844584,0.664215531,0.490579406,4.634902529,1.079131346,0.133506333,0.792624311,0.184544494,0.421924903,0.302782806,0.077108769,5.847540208,5.764528315,12.27982296,0.688936467,0.801816479,5.373877606,1.407501196,0.260554214,0.763125351,0.199874266,0.569426163,0.518469402,0.293694787,7.041933016,9.33065598,18.3433531,0.644688027,1.381590352,5.149915219,1.156471039,0.18213187,0.793696668,0.17823346,0.521872606,0.349078678,0.143506617,6.488518128,7.104321723,14.67756769,0.690545002,1.014457901,5.699130001,1.467816274,0.294402217,0.763820375,0.196722653,0.641144755,0.564363722,0.374957623,7.461348492,10.47524063,20.39934485,0.645730562,1.5804661,5.452594907,1.426095357,0.263408932,0.763444298,0.199674538,0.585906208,0.531947592,0.300165677,7.142099196,9.587828737,18.77817479,0.645166447,1.418019477 +UMLYSI0356,L,2-butoxyethanol,CCCCOCCO,other multi-oxygen compounds,C6H14O2,111-76-2,8133,PubChem,,25.3,0,-1.1043,1.21947849,30.0422,21.499102,0,0,22,8,14,0,6,0,2,0,0,0,0,0,0,0,1391.745624,1327.067587,1332.102378,1167.506817,894.886364,684.515879,499.913614,309.253269,68.616576,3409.055386,4175.845757,4984.750045,4509.740286,3687.449623,3027.633428,2348.477273,1528.181395,609.4474637,166.005024,162.2641,291.415296,336.850284,263.586944,230.58794,174.877696,152.30358,89.278848,24.24438867,30.18446402,39.19402873,38.03973035,31.45066647,25.83745939,20.77934812,14.42549669,6.274751507,3720.515836,3142.984807,6187.065789,7672.352051,6065.103752,5299.803482,4030.908235,3661.458992,2188.016594,77.5,56.25,89,101.75,67.5,64.25,50,46,28,63.26116473,63.19369462,35.05532574,25.94459593,24.85795456,22.08115739,20.82973392,14.72634614,5.718048,154.957063,198.8497979,131.1776328,100.2164508,102.4291562,97.66559445,97.85321971,72.77054261,50.78728864,7.545682909,7.726861905,7.668823579,7.485561867,7.321859556,7.438320645,7.286570667,7.252551429,7.439904,1.102017667,1.437355429,1.031421809,0.845327341,0.873629624,0.833466432,0.865806172,0.686928414,0.522895959,169.1143562,149.6659432,162.8175208,170.4967122,168.4751042,170.9614026,167.9545098,174.3551901,182.3347162,3.522727273,2.678571429,2.342105263,2.261111111,1.875,2.072580645,2.083333333,2.19047619,2.333333333,0.386290479,-0.132583614,-0.141163032,0.125196397,-0.04170892,-0.03151762,0.01887753,0.016974067,-0.021703635,756.9471251,-35.00554913,-303.4847152,12.7212215,18.1864764,-67.31592636,-77.41228246,32.47628705,-15.76304132,984.5731867,-131.9222333,-391.5303369,30.56108682,-31.44610086,34.66139099,-151.3247801,-5.993764636,82.01462449,1.975697455,-0.112005388,-0.609093421,0.454034479,-0.075518017,-0.375495504,-0.070833587,-0.024118116,-0.232403702,4.276936093,-0.889011361,-1.559644427,0.480362648,-0.416077752,0.435003081,-0.740791972,-0.27155957,0.578046104,23.90632958,-5.411859017,-8.402741146,3.440701096,-2.787932824,2.68262291,-4.165403624,-1.924544364,3.402912805,28,-3,-7,5,1.5,-4,-2.5,0.25,-5,0.017558658,-0.006313505,-0.003714817,0.002782142,-0.001158581,-0.001016697,7.87E-04,8.08E-04,-0.001808636,34.4066875,-1.666930911,-7.986439873,0.282693811,0.5051799,-2.171481495,-3.225511769,1.54648986,-1.313586777,44.75332667,-6.282011109,-10.30342992,0.679135263,-0.873502802,1.118109387,-6.30519917,-0.285417364,6.834552041,0.08980443,-0.00533359,-0.016028774,0.010089655,-0.002097723,-0.012112758,-0.002951399,-0.001148482,-0.019366975,0.194406186,-0.042333874,-0.041043274,0.010674726,-0.011557715,0.014032357,-0.030866332,-0.012931408,0.048170509,1.086651345,-0.257707572,-0.221124767,0.076460024,-0.077442578,0.086536223,-0.173558484,-0.09164497,0.283576067,1.272727273,-0.142857143,-0.184210526,0.111111111,0.041666667,-0.129032258,-0.104166667,0.011904762,-0.416666667,-0.35956651,-0.211566089,0.15844845,-0.065983465,-0.05790291,0.044796346,0.046033636,-0.103005378,-0.048447875,-0.232118825,0.008216246,0.014682608,-0.063112193,-0.093746652,0.044947363,-0.03817824,-0.140369702,-0.230227129,0.015175079,-0.019518165,0.024983827,-0.140887832,-0.006377568,0.152716067,-0.059391167,-0.178485341,0.112351419,-0.023358789,-0.134879295,-0.032864742,-0.012788698,-0.215657237,-0.217759914,-0.211121237,0.054909392,-0.059451376,0.072180612,-0.158772376,-0.066517472,0.247782798,-0.237157552,-0.203491919,0.070362978,-0.071267181,0.079635684,-0.159718649,-0.084337051,0.260963251,-0.112244898,-0.144736842,0.087301587,0.032738095,-0.101382488,-0.081845238,0.009353741,-0.327380952,1.305258236,1.291490999,0.827874391,0.823543193,0.997056942,0.755938298,0.832625435,1.519034584,1.219570409,1.305119712,0.943018809,0.878473763,0.99747286,0.968707918,0.787215065,0.919283788,1.581116417,1.306774946,0.873759734,0.961553224,0.852415631,1.089832728,0.78821346,0.42255421,0.989408573,1.352049011,0.935785383,0.788442581,1.144713663,0.734588181,0.815521626,1.50900736,1.795919825,1.323492602,0.815781398,0.998733315,0.784234876,1.110310035,0.798297125,0.217120078,1.835229542,1.330168255,0.801303107,1.002738132,0.7758949,1.102224215,0.80232371,0.200137697,1.053571429,1.080592105,0.754166667,0.479166667,1.106854839,1.1640625,1.232142857,2.375,38.48998201,19.494991,30.97839024,38.86498201,4.858122751,19.49499102,0.5,0.063412875,0.007926609,-2.206470687,40.27645909,5.034557386,2.956613725,38.50516445,19.50184781,30.98993171,38.87906282,4.859882853,19.50184782,0.498531158,0.063196755,0.007899594,-2.209201862,40.21947532,5.027434415,2.955481071,51.99126137,25.59663621,41.54368351,51.39276966,6.424096207,25.59663621,-0.797988956,0.069539022,0.008692378,-2.132693771,31.56959829,3.946199786,2.761755662,38.52109882,19.50904421,31.00204597,38.89384102,4.861730127,19.50904422,0.4969896,0.062970145,0.007871268,-2.212075647,40.16021414,5.020026767,2.954301446,66.32211515,32.07876331,53.08228219,64.69867375,8.087334219,32.07876331,-2.164588529,0.139144999,0.017393125,-1.577790983,34.41521989,4.301902486,2.830799124,40.08047238,20.21337038,32.19319163,40.34017366,5.042521707,20.21337038,0.346268372,0.041818336,0.005227292,-2.539536302,36.19680794,4.524600993,2.871176749,33.77482841,17.42206584,27.77545731,34.54056026,4.317570032,17.42206596,1.214285714,0.165020891,0.020627611,-1.44134656,34.23908183,4.279885228,2.826694188,0,11.99635523,15.99825889,-0.418328239,0.092086979,3.728175974,6.491981062,7,21,21,21,7,0,0,0,0,0,17.220898,3.439913153,3.198327997,2.76195486,2.253278128,1.82970757,1.333849633,1.209164463,0.705586682,1.824624937,1.606952676,1.365833464,0.920867051,0.796224499,0.576838481,0.388921935,0.083923071,3.406759127,3.156024967,2.736942772,2.131934108,1.84738503,1.375562688,1.189402249,0.497695346,1.783290012,1.59643881,1.296196873,0.875579408,0.705010843,0.429691416,0.329503403,0.270913902,3.583640769,3.371686801,2.989740045,2.52230696,2.231283274,1.843139237,1.757854016,1.135109966,1.564141645,1.325540672,0.982930282,0.434962762,0.244274965,0.094160786,0.291683024,0.943918427,3.417127079,3.15488359,2.758827333,2.128323218,1.88623433,1.450404834,1.205830394,0.439979558,1.763026214,1.579901179,1.256325057,0.854429235,0.635326463,0.333325658,0.26385677,0.399277246,3.63200647,3.425693905,3.071141164,2.602096392,2.371602427,2.026632252,1.923617439,1.208515408,1.509571985,1.272629942,0.895884918,0.338174226,0.107546011,0.280879251,0.453908281,1.207644823,4.442680152,3.622689549,3.292585909,2.748460509,2.264307283,1.840067375,1.599397132,1.300978501,1.629828364,1.34123065,1.050082932,0.519754049,0.358280743,0.144075662,0.353138625,0.631578947,0,0,0,0,0,4,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.390995792,3.100684816,1.689532624,0.877853185,0.413011435,0.219874403,0.104443645,0.032274861,0.673874474,0.442954974,0.281588771,0.175570637,0.103252859,0.073291468,0.052221822,0.032274861,11.22239284,21.87618354,20.77647059,21.12,12.55036048,170.7641329,0.510108765,0.994371979,0.944385027,0.96,0.570470931,7.762006042,0.7954,32.8128,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,1,0,2,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,1,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.735077948,0,13.21378118,0,0,3.655685566,0,0,0,0,0,0,0,0.735077948,0,0,0,0,0,0,0,0,0,0,0,0,0,2.489644274,0,0,0,0,0,0,0,0,0,0,0,2.113398526,0,3.672820295,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.240586735,0,4.973194444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.735077948,0,4.973194444,0,0,3.655685566,0,0,0,0,0,0,0,0.735077948,0,0,0,0,0,0,0,0,0,0,0,0,0,0.255625,0,0,0,0,0,0,0,0,0,0,0,2.113398526,0,0.142573696,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.240586735,0,4.973194444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.735077948,0,8.240586735,0,0,3.655685566,0,0,0,0,0,0,0,0.735077948,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561111111,0,0,0,0,0,0,0,0,0,0,0,2.113398526,0,1.158163265,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.240586735,0,4.973194444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19,2.375,0.735077948,8.240586735,0.175277778,0.142573696,2.683287545,1.357426304,2.240586735,7.65435941,1.357426304,2.240586735,7.65435941,3.66666,0.45833,0,0.04167,0.51515,0.89167,0.42308,0.51515,0.82593,0.09207,0,-0.09207,0.06574,0.51402,0.20027,0,0.22727,0,0,4.25,0.53125,4.25,0.53125,0,0,-4.25,-0.53125,0,0,6.12133,0.76517,7.95768,1.83635,0.22954,3.07224,0.38403,3.91421,0.84198,0.10525,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7.02,2,2,2,2,1,1,1,1.240670532,1.965767808,3.174674232,3.788754914,3.572623664,3.140361164,27.2947517,43.24689177,69.8428331,83.35260811,78.59772061,69.0879456,0.278212705,0.440811291,0.71190109,0.849604891,0.801138793,0.704206597,3.218761087,2.493663811,1.284757387,0.670676705,0.886807955,1.319070455,0.282463768,0.447546846,0.722778872,0.862586774,0.813380118,0.714966807,11.58313238,18.05069604,22.64410334,23.26298923,20.66941422,20.23376926,29.24518972,21.32201135,16.775086,15.06403319,18.47092243,19.65127283,8,7,7.2,8,0,4,1.9,1.0714,0,1.769764598,0,0,4.508797714,0,0,0,0,0,0,0.333333333,0,0,0,0,0,0,0,0.259,0.596,0.601,0.567,0.248,3.906,6,5,4,3,2,1,0,0,0,36,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,3.610917913,1,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.714285714,7,1,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,29.46,129.9128199,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,118.0993797,5.368153622,14.83110795,1.853888494,5.297906518,5.297906518,0,84,5,0.661,26,1.224238095,2.1053306,2.81602688,3.53918194,4.78567139,5.705317056,6.897639819,7.843102517,8.611265998,0,89.40323074,81.20865118,88.47072415,112.4693672,124.7865267,141.8891713,116.932786,48.58542887,8.749597375,0,266.2250568,292.6389417,308.2671693,422.7293239,511.3541212,619.2447057,533.64157,412.4108485,267.6703915,0,9.526009392,16.21593962,21.22258429,26.3340552,35.89123389,41.99486872,50.38960159,58.98098681,57.8544806,0,1.868517472,2.261458189,2.503875095,3.427813083,4.217849273,5.293314953,4.892800607,4.142731304,3.82867999,0,181.3031899,339.9609815,477.5919998,584.6701295,812.1497691,945.5385864,1196.189411,1429.111407,1592.375089,0,3.391107143,5.061785364,6.776238674,7.350455053,10.42546671,12.76961206,16.11133164,19.45199374,8.611265998,0,0.433862457,0.547167298,0.607073049,0.815916999,1.016166095,1.244420588,1.216579265,1.121182935,0.881793638,0,377.3240291,347.3751221,17.02201747,181.5853235,-167.1725601,-27.1565739,195.7387056,514.5476822,44.17859137,0.675107739,0.621523187,0.030455775,0.324892261,-0.299104961,-0.048588512,210.8899288,194.1512046,9.513764765,101.4897356,-93.43430731,-15.17806313,0.227923064,0.427290384,4.04882639,16.43997452,491.3927712,67.51658131,0.879199407,0.120800593,541.3659733,23.26727258,8.150113405,685.3283744,26.17877718,8.816568194,838.7325745,28.96088007,9.430640075,2.87252722,2.87252722,940.1460915,916.5663148,43.59679065,1.025726209,21.5645711,21.02371072,4.221483049,4.610697771,8.995260612,0.950954293,4.340044796,4.942392273,6.818064651,15.59339651,3.935385222,1.812300893,7.941970641,8.998644896,4.752222796,1.930653727,4.809985117,1.139801189,4.638821187,0.104136278,1.654476182,0.213834775,2.061466357,1.73E-11,2.88E-44,9.25E-99,5.74E-175,6.87E-273,0,0,0,0,0,0,0,0,0.384135176,5.323363009,0.674374418,3.037337083,0.029773847,1.911626521,0.634903608,0.639867133,0.254531494,0.215822485,2.443926683,0.018371249,0.640791753,0.008900196,0.0319897,0.283123519,0.223538812,1.93E-12,3.22E-45,1.03E-99,6.42E-176,7.68E-274,0,0,0,0,0,0,0,0,1.120585406,4.614666419,1.384092006,4.178932433,0.294113374,1.168194994,1.673624122,1.294302066,0.649613096,0.373873259,2.516215981,0.110229487,0.799634211,0.028323009,0.172749283,0.152152497,0.391269691,3.34E-12,5.57E-45,1.79E-99,1.11E-175,1.33E-273,0,0,0,0,0,0,0,0,4.319606396,5.322036046,7.926913702,14.82133937,3.507784214,2.365111315,8.024593045,8.301703299,4.34040038,2.424956432,5.029401062,1.022664504,4.373680102,0.098358268,1.48993715,0.284165444,2.565201539,2.17E-11,3.61E-44,1.16E-98,7.21E-175,8.63E-273,0,0,0,0,0,0,0,0,1.58463578,4.345364292,1.60759526,5.322950357,0.633793773,0.999829469,2.346162519,2.053680085,1.078559961,0.370211222,2.61928183,0.213980119,1.109802706,0.041646423,0.325371209,0.102412304,0.393151477,3.31E-12,5.52E-45,1.77E-99,1.10E-175,1.32E-273,0,0,0,0,0,0,0,0,5.421862825,5.182937781,9.574214407,20.66931037,5.732694011,2.286875986,10.55082381,12.51081937,6.604015821,2.819723597,5.870640755,1.628555204,6.419573833,0.125767055,2.348709591,0.258802018,3.010651129,2.52E-11,4.20E-44,1.35E-98,8.38E-175,1.00E-272,0,0,0,0,0,0,0,0,4.045936238,6.666015784,9.501912936,10.25776716,1.575377411,6.31606882,6.03035356,5.091657837,2.366991262,2.695386381,6.291501793,0.481542814,3.38718007,0.083413612,0.724588516,1.018856617,4.802272261,4.13E-11,6.89E-44,2.21E-98,1.37E-174,1.64E-272,0,0,0,0,0,0,0,0,8.148408147,0.759937563,0.451399916,0.870580086,0.081192117,0.587535495,0.593190059,0.545442758,9.359745625,10.21350793,22.36844887,0.805870128,1.726168312,7.978439316,0.290088763,0.084706239,0.95513175,0.034727718,0.564122683,0.087156392,0.019206889,8.353234318,3.014851507,11.56413465,0.932697626,0.670485964,7.733048189,0.494501864,0.239734192,0.913285531,0.058401472,0.529583826,0.253408555,0.153845993,8.467284245,5.796431807,15.18046122,0.869928297,0.936838375,8.229315415,0.729315305,0.428496285,0.876659644,0.077693133,0.599284679,0.547004144,0.491496413,9.387127005,9.840505663,21.79936696,0.814989465,1.637785236,7.704957483,0.593199198,0.315938473,0.894459295,0.068863785,0.525573754,0.364146655,0.267196806,8.614095155,7.192281553,17.25039707,0.841688943,1.156917215,8.231587421,0.786897747,0.473543862,0.867210519,0.0829009,0.599564437,0.634925285,0.600270022,9.49202903,10.74806589,23.30743626,0.800815778,1.834759744,8.313264336,0.734631497,0.433463495,0.876800894,0.077481664,0.611551133,0.554384882,0.502957501,9.481359329,10.02911838,22.15771982,0.815201341,1.668893516 +UMLYSI0357,L,2-methyl-3-buten-2-ol,CC(C)(C=C)O,unsaturated alcohol,C5H10O,115-18-4,8257,PubChem,,25,0,0.8413,0.70778569,26.4798,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,894.311257,1293.838867,825.647975,187.78536,14.224896,0,0,0,2644.81273,3111.440287,4081.945104,3966.02192,2109.972419,435.172422,0,0,0,118.238936,113.725804,185.586916,240.085028,245.042496,94.058496,0,0,0,19.03383305,23.05160678,30.53489774,32.7070836,23.10000729,6.224580668,0,0,0,2668.599586,2223.807959,3945.978999,4982.385688,6122.904923,2588.847128,0,0,0,68.5625,47,75.75,110.5,63,14,0,0,0,61.71557788,59.62075047,51.75355468,26.63380565,5.365296,1.016064,0,0,0,165.3007956,207.4293525,163.2778042,127.936191,60.28492625,31.08374443,0,0,0,7.3899335,7.581720267,7.42347664,7.744678323,7.001214171,6.718464,0,0,0,1.189614566,1.536773785,1.22139591,1.055067213,0.660000208,0.444612905,0,0,0,166.7874742,148.2538639,157.8391599,160.722119,174.9401407,184.917652,0,0,0,4.28515625,3.133333333,3.03,3.564516129,1.8,1,0,0,0,0.228550231,-0.134451686,0.073595135,-0.068930896,-0.023787475,0.039299806,0,0,0,523.7576238,-61.37440864,201.7963501,-679.6049109,9.289468047,268.0146895,0,0,0,766.4429154,-64.08388028,122.9703434,-833.4956669,4.076510572,387.3112355,0,0,0,1.03666,-0.10552625,0.16054125,-0.77858625,0.02169775,0.1835435,0,0,0,3.391946473,-0.184652645,-0.212307257,-2.738137585,-0.012024649,1.451148898,0,0,0,18.82152525,-0.868064488,-2.446740944,-13.43592376,-0.109278225,7.449244794,0,0,0,25.49609375,-7.781494141,8.099853516,-15.23852539,-3.573486328,5.745605469,0,0,0,0.014284389,-0.008963446,0.002943805,-0.002223577,-6.80E-04,0.002807129,0,0,0,32.73485148,-4.091627243,8.071854006,-21.92273906,0.265413373,19.14390639,0,0,0,47.90268221,-4.272258686,4.918813737,-26.886957,0.116471731,27.66508825,0,0,0,0.06479125,-0.007035083,0.00642165,-0.025115685,6.20E-04,0.01311025,0,0,0,0.211996655,-0.012310176,-0.00849229,-0.088327019,-3.44E-04,0.103653493,0,0,0,1.176345328,-0.057870966,-0.097869638,-0.433416896,-0.003122235,0.532088914,0,0,0,1.593505859,-0.518766276,0.323994141,-0.491565335,-0.102099609,0.410400391,0,0,0,-0.627499392,0.206085489,-0.155664846,-0.047579363,0.196517256,0,0,0,-0.124992999,0.246582882,-0.669706385,0.008107975,0.584817267,0,0,0,-0.08918621,0.102683472,-0.561282913,0.002431424,0.577526914,0,0,0,-0.108580763,0.09911292,-0.387640082,0.009568201,0.202345996,0,0,0,-0.058067786,-0.040058605,-0.416643456,-0.001620598,0.488939285,0,0,0,-0.049195559,-0.08319805,-0.36844359,-0.002654182,0.452323736,0,0,0,-0.325550278,0.203321587,-0.308480406,-0.064072315,0.25754558,0,0,0,1.527355518,0.621723293,1.676918895,0.789746682,0.137211806,0,0,0,1.269889206,0.790120354,1.796541198,0.728739312,0,0,0,0,1.398696897,1.009761139,1.545472194,0.739025144,0,0,0,0,1.044581637,0.791272355,2.140086992,0.520193423,0,0,0,0,1.448950267,1.179052138,1.426775117,0.701697541,0,0,0,0,1.454759456,1.22433746,1.406672924,0.684666029,0,0,0,0,1.279607783,0.677309637,1.927477426,0.689181203,0,0,0,0,16.48744705,8.368723525,11.94143081,16.65411372,2.775685619,8.36932503,0.25,0.011249637,0.00187494,-2.692451632,19.0545036,3.1757506,1.76838209,16.49039955,8.369832564,11.94267409,16.6565766,2.7760961,8.370433279,0.249265579,0.011295676,0.001882613,-2.690001149,19.0555351,3.175922517,1.76841457,19.16926703,9.385136276,13.27114636,18.90327071,3.150545118,9.385334316,-0.398994478,0.099057449,0.016509575,-1.387233184,31.21483321,5.202472202,2.064536043,16.49349846,8.370996632,11.94397928,16.65916166,2.776526944,8.37159652,0.2484948,0.011344063,0.001890677,-2.687436465,19.05662359,3.176103932,1.768448842,22.09626239,10.50698406,15.69528377,21.37473288,3.56245548,10.50704735,-1.082294264,0.241165662,0.040194277,-0.853362711,30.88954807,5.148258012,2.058250726,16.79769261,8.485413396,12.07343803,16.9131154,2.818852566,8.485938179,0.173134186,0.01643844,0.00273974,-2.464879683,19.19620168,3.199366946,1.772827458,23.97815966,12.11907983,17.59848292,24.151493,4.025248833,12.11909352,0.26,0.057637868,0.009606311,-1.712145299,20.20863655,3.368106092,1.803666039,0,11.79,15.9949159,-0.385772874,0.130568913,4.980493651,7.652503064,5,15,14,14,4,1,1,0,0,1,10.93207,3.536921914,2.789647354,2.333552793,2.039648352,1.188740532,0.359704607,0.083923071,0.083923071,1.825164935,1.384524971,1.249629723,0.622994839,0.414256759,0.083923071,0.083923071,0.083923071,3.518157184,2.815027245,2.405454588,1.803300497,1.247492965,0.477243308,0.270913902,0.270913902,1.797222202,1.300353992,1.134540686,0.682707503,0.28248279,0.270913902,0.270913902,0.270913902,3.642168697,3.006522389,2.704236987,2.327479058,1.702968566,0.959239252,0.943918427,0.943918427,1.626198717,1.034752733,0.76031856,0.121389989,0.250299968,0.943918427,0.943918427,0.943918427,3.523263532,2.842538676,2.457539916,1.764340406,1.299269248,0.565144359,0.399277246,0.399277246,1.780475646,1.247015508,1.058262671,0.703298267,0.186418297,0.399277246,0.399277246,0.399277246,3.679115192,3.092247079,2.838982085,2.389665764,1.884200731,1.207644823,1.207644823,1.207644823,1.588663265,0.952606138,0.631337262,0.039321042,0.424372953,1.150954091,1.207644823,1.207644823,3.859871736,3.251678712,2.771189336,2.480846648,1.476568105,0.521933734,0.487804878,0.487804878,1.757466844,1.096165629,1.017432014,0.190788576,0.065618452,0.487804878,0.487804878,0.487804878,0,0,1,1,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,1.560660172,0.353553391,0,0,0.770480822,0.129099445,0,0,1.060660172,0.353553391,0,0.386698331,0.091287093,0,5.207106781,2.560660172,2.914213562,1.060660172,0,0,0,0,0.86785113,0.512132034,0.416316223,0.353553391,0,0,0,0,4.231670646,1.920530223,1.857787455,0.499535383,0,0,0,0,0.705278441,0.384106045,0.265398208,0.166511794,0,0,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,0.86949,26.2248,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,24,1,0,1,2,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0,2,0,0,2,0,0,0,0,0,0,0,0,2,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.597569444,0,8.708333333,4.875,0,0,0,0,0,0,0,0,0,0.597569444,0,0,0,0,0,0,0,0,0,0.437847222,0.415277778,0,0,0.709027778,0,0,0.853125,0,0,0,0,0,0,0,0,3.361111111,3.381944444,0,0,1.493055556,0,0,0,0,0,0,0,-0.694444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.708333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.597569444,0,8.708333333,1.493055556,0,0,0,0,0,0,0,0,0,0.597569444,0,0,0,0,0,0,0,0,0,0.437847222,0.415277778,0,0,0.354513889,0,0,0.415277778,0,0,0,0,0,0,0,0,1.680555556,3.381944444,0,0,1.493055556,0,0,0,0,0,0,0,-0.694444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.708333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.597569444,0,8.708333333,3.381944444,0,0,0,0,0,0,0,0,0,0.597569444,0,0,0,0,0,0,0,0,0,0.437847222,0.415277778,0,0,0.354513889,0,0,0.437847222,0,0,0,0,0,0,0,0,1.680555556,3.381944444,0,0,1.493055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.708333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.25,2.708333333,0.597569444,8.708333333,0.340277778,-0.694444444,2.775375,1.944444444,2.708333333,6.180555556,1.944444444,2.708333333,6.180555556,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.42,0.47593,0.75238,0.07792,0.02199,-0.05593,0.0754,0.57047,0.14382,0,0.64706,0,0.17647,3.75,0.625,2.75,0.45833,1,0.16667,-1.75,-0.29167,0,0,4.26405,0.71068,6.37132,2.10727,0.35121,1.78145,0.29691,2.56066,0.77921,0.12987,0.35334,0.05889,0.35334,0.05889,0,5.01,1,1,1,1,1,1,0.6,1.198192411,2.608458593,2.780639062,2.780639062,2.280639062,1.155639062,19.17107858,41.73533749,44.490225,44.490225,36.490225,18.490225,0.299548103,0.652114648,0.695159766,0.695159766,0.570159766,0.288909766,2.801807589,1.391541407,1.219360938,1.219360938,1.719360938,2.844360938,0.299548103,0.652114648,0.695159766,0.695159766,0.570159766,0.288909766,10.71860945,18.7418391,18.91536689,18.91536689,12.91536689,1.164681975,21.96987352,15.79229297,15.43383437,15.43383437,12.43383437,4.183834373,6,1.632653061,5.333333333,6,2,4,1.9,0.8288,1.144714243,1.889881575,0,2.381101578,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.459,0.458,0.41,0.311,2.6,7,3,0,0,0,0,0,0,0,21,1.945910149,2.197224577,1.945910149,0,0,0,0,0,0,0,3.295836866,1.238095238,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,3,0.5,3,0.666666667,0,0,0,0,0,0,0,0,0.6,0.095238095,0,0,0,0,0,0,0,0,0.695238095,9.670211019,13.8111276,19.34042204,3.223403673,9.670353541,0.108211614,0.018035269,-1.334199946,17.71200314,2.952000523,1.724545532,20.23,101.1901498,3.584962501,3.218875825,3.80666249,4.634728988,5.252273428,6.084499413,6.708084084,7.5416831,8.166500319,9.000483165,65.41379081,2.397895273,0,3.663561646,0,5.081404365,0,6.532334292,0,7.989899375,8.256088134,86.07316494,5.379572809,10.46599026,1.74433171,2.301776695,2.301776695,0,28,3,0.752,24,1.213666667,2.13347701,2.941881878,3.444535819,4.246063323,0,0,0,0,0,83.58129439,123.8740659,82.05847493,19.69447963,4.314272084,0,0,0,0,0,275.8099435,377.5986728,386.0259901,216.989381,131.9835472,0,0,0,0,0,9.224577646,15.98057562,22.78511384,24.15319939,28.52702358,0,0,0,0,0,1.992968259,2.75849749,3.161539501,2.34896819,1.887854548,0,0,0,0,0,177.5531932,332.7104989,471.5074714,598.9822604,785.17206,0,0,0,0,0,3.847366667,6.948114342,10.5745465,6.3603048,4.246063323,0,0,0,0,0,0.43792144,0.637346,0.751247253,0.537139674,0.434796884,0,0,0,0,0,336.0664745,205.6756375,20.19574554,117.5550101,-71.94469985,-14.04561197,218.5114644,277.6203374,34.24135751,0.740852199,0.45340806,0.04452114,0.259147801,-0.158600733,-0.030963286,152.4469731,93.29888803,9.161224073,53.32547819,-32.63566156,-6.371391354,0.344666027,0.630319767,15.05119427,14.82735364,386.4290191,67.19246549,0.851875478,0.148124522,366.6561382,19.14826724,7.157362057,472.5073319,21.73723377,7.788781439,610.959245,24.71758979,8.485369272,1.261772097,1.108117876,181.91594,178.0250862,105.0414923,1.021855649,1.731848396,1.694807283,3.313636149,3.200382783,5.261876621,0.644139773,3.469429066,3.349174312,3.755993964,8.76651783,9.092569104,4.254151505,4.313745336,2.818345846,0.383025518,0.006350349,3.46E-24,3.76E-67,8.06E-132,3.41E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311080899,3.476037679,0.183154769,4.939135603,2.261322249,0.175853726,0.264262173,0.111197241,0.002697681,4.47E-05,2.44E-26,2.65E-69,5.68E-134,2.40E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.884731938,3.239814074,0.678258305,5.094417389,2.599705217,0.68002698,0.786609499,0.441539778,0.02811191,4.66E-04,2.54E-25,2.76E-68,5.92E-133,2.50E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.497816748,3.475708346,3.454422148,8.775624838,9.003862924,3.888394211,4.258980411,2.573993509,0.341268842,0.005658047,3.09E-24,3.35E-67,7.18E-132,3.04E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.237025736,3.150057735,1.087666401,5.385221129,3.07554692,1.123590088,1.159261523,0.734298479,0.061062821,0.001012387,5.52E-25,5.99E-68,1.29E-132,5.44E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.370465819,3.429414528,4.96665808,10.23210835,12.07697439,5.740463104,5.829783261,3.812342664,0.558606716,0.009261388,5.05E-24,5.48E-67,1.18E-131,4.98E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.502646623,2.506100512,1.264846713,7.692695208,7.918576523,1.49415608,2.686298364,1.106574842,0.091142305,0.001511088,8.24E-25,8.94E-68,1.92E-132,8.12E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.304407997,1.261028909,0.744305261,0.534697415,0.292599617,0.445497113,0.476833459,0.359523343,4.309742166,5.559698548,12.03233605,0.302046123,1.281853914,1.488666772,0.636279772,0.631889255,0.539991092,0.230800751,0.185540473,0.201600978,0.138114046,2.756835799,2.289939442,5.645306148,0.309986637,0.525255498,1.893352421,0.919920014,0.547933915,0.563295503,0.273687456,0.298457756,0.257590202,0.195359601,3.361206349,3.283220163,7.598780975,0.344943254,0.75140756,2.237899935,1.219142289,0.778210879,0.528398157,0.287855828,0.420293265,0.445151853,0.394521524,4.235253103,5.418626317,11.77708652,0.292597236,1.259966643,2.069409391,1.049564815,0.543530238,0.565025769,0.28657025,0.356850638,0.334405445,0.190701694,3.662504443,3.867236076,8.710276936,0.347538654,0.881957777,2.343287142,1.296590922,0.783182163,0.529788658,0.293143402,0.461426634,0.502819336,0.398504105,4.423060228,5.888972415,12.69156313,0.294682987,1.362750075,2.263937102,1.223384146,0.766858106,0.532167761,0.287572301,0.429796169,0.448739168,0.382544336,4.254179354,5.443945324,11.82206455,0.298251642,1.261079673 +UMLYSI0358,L,methyl 2-methylbutyrate,CCC(C)C(=O)OC,saturated esters,C6H12O2,868-57-5,13357,PubChem,,24.9,0,0.0693,0.00480249,30.1528,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1577.550344,1642.863492,1049.043836,386.396809,87.883488,9.144576,0,3346.887898,3979.09551,4987.888639,5240.669144,4289.999718,2550.706399,1154.675865,279.7536999,0,152.568096,145.6753,259.249424,286.636152,311.269376,223.283044,143.482752,60.466176,0,23.35516286,28.53615172,37.79289304,39.9539312,33.68605599,23.58185018,13.35045943,4.001516144,0,3350.680532,2804.677982,5521.432194,6154.645747,6622.522955,5141.259865,3692.500067,1664.258868,0,92.05555556,56.72222222,94.16666667,110.0833333,133.5,68,27,9,0,69.4856748,68.35965826,46.39853953,43.23324979,26.8985599,12.87989363,4.184928,1.016064,0,167.3443949,209.4260795,146.702607,137.9123459,109.9999928,85.02354662,54.98456499,31.08374443,0,7.6284048,7.667121053,7.624983059,7.543056632,7.981266051,7.442768133,6.832512,6.718464,0,1.167758143,1.501902722,1.111555678,1.051419242,0.863745025,0.786061673,0.635736163,0.444612905,0,167.5340266,147.6146306,162.3950645,161.9643618,169.8082809,171.3753288,175.8333365,184.917652,0,4.602777778,2.985380117,2.769607843,2.896929825,3.423076923,2.266666667,1.285714286,1,0,0.269505657,-0.160634931,0.013089229,0.088035821,-0.057384909,-0.041804832,0.012896434,0.011050359,0,715.056216,-13.739645,119.254472,80.947092,-612.241636,-306.061991,166.9536,207.36,0,931.2646053,-148.2416011,102.7223183,-146.245463,-417.7504463,-248.2415601,128.2469715,263.877478,0,1.9334688,0.00145024,0.64351424,-0.01862352,-1.59332176,-0.5557088,0.34692336,0.20903184,0,4.097118945,-1.072153629,0.499338656,-1.675745333,-0.490932104,-0.383101928,0.183939983,0.890094883,0,23.01673804,-6.548761719,3.087389767,-10.93371879,-0.944701555,-1.033900707,0.461845853,4.403478133,0,37.60555556,-1.000277778,8.806666667,3.438333333,-28.4475,-10.375,4.9725,3.8025,0,0.013475283,-0.00845447,3.85E-04,0.002316732,-0.001471408,-0.001393494,6.14E-04,0.001227818,0,35.7528108,-0.723139211,3.507484471,2.130186632,-15.69850349,-10.20206637,7.950171429,23.04,0,46.56323026,-7.80218953,3.021244656,-3.848564816,-10.71154991,-8.27471867,6.106998644,29.31971978,0,0.09667344,7.63E-05,0.018926889,-4.90E-04,-0.040854404,-0.018523627,0.01652016,0.02322576,0,0.204855947,-0.056429138,0.014686431,-0.044098561,-0.012588003,-0.012770064,0.008759047,0.098899431,0,1.150836902,-0.344671669,0.090805581,-0.287729442,-0.024223117,-0.034463357,0.02199266,0.489275348,0,1.880277778,-0.052646199,0.259019608,0.090482456,-0.729423077,-0.345833333,0.236785714,0.4225,0,-0.627405758,0.028569147,0.171924564,-0.1091931,-0.103411144,0.045573508,0.091116285,0,-0.02022608,0.09810374,0.059580956,-0.439084456,-0.28535005,0.222364934,0.644424857,0,-0.167561174,0.064884774,-0.082652445,-0.230043101,-0.177709292,0.131154961,0.629675382,0,7.90E-04,0.195781689,-0.005069569,-0.422602155,-0.191610298,0.170886233,0.240249649,0,-0.275457653,0.071691504,-0.2152662,-0.06144807,-0.0623368,0.042757103,0.482775496,0,-0.299496539,0.078903953,-0.250017567,-0.021048262,-0.029946343,0.019110145,0.425147427,0,-0.02799916,0.137756033,0.048121856,-0.38793368,-0.183926725,0.125931241,0.224700842,0,1.614377019,1.031814043,1.044440898,1.498355621,0.79612244,0.092659922,0.032333808,0,1.04922138,0.890865298,0.904510365,1.542213185,1.186900274,0.459555111,0,0,1.505949528,0.973881522,1.11845331,1.067296894,1.012326263,0.656161652,0,0,0.713221749,0.771811478,0.876815287,2.093785333,1.151047451,0.033293529,0,0,1.749688453,0.998761092,1.276073199,0.881583528,0.8641304,0.666742434,0,0,1.787392882,0.997733486,1.311363166,0.869859622,0.827389598,0.644694439,0,0,0.591667898,0.547967377,0.910400355,2.302209166,1.141010489,0.072177785,0,0,30.30966979,15.40483489,22.79672018,30.68466979,3.835583724,15.40483562,0.5,0.142311184,0.017788898,-1.559791344,29.99903271,3.749879089,2.720932111,30.31938333,15.40895725,22.80220878,30.6932817,3.836660213,15.40895797,0.498531158,0.14196674,0.017745843,-1.561729978,29.99209681,3.749012101,2.720747126,39.13386299,19.16793702,28.27925623,38.53537127,4.816921409,19.16793703,-0.797988956,0.144158309,0.018019789,-1.54947457,41.2651445,5.158143063,2.976014548,30.3295786,15.4132841,22.80797089,30.7023208,3.8377901,15.41328482,0.4969896,0.14160523,0.017700654,-1.563769729,29.98485613,3.748107016,2.720553967,48.75409381,23.29475264,35.09551086,47.13065241,5.891331551,23.29475264,-2.164588529,0.340515097,0.042564387,-0.861836654,41.90034755,5.237543444,2.988235297,31.33045267,15.83836052,23.38025302,31.59015395,3.948769243,15.83836097,0.346268372,0.106219262,0.013277408,-1.793799853,29.46142199,3.682677748,2.706465343,34.19803463,17.34095476,26.80018909,34.6782478,4.334780975,17.34095489,1.095833333,0.301564296,0.037695537,-0.959017626,40.01505932,5.001882414,2.951404693,0,11.99635523,15.99825889,-0.3493946,0.264054594,4.193306313,7.72387889,7,19,18,18,6,1,1,0,0,1,15.992484,3.586614086,3.050932489,2.688763771,2.466585324,1.797501059,1.123331266,1.049369143,0.083923071,1.845537054,1.473606042,1.403631446,0.977876722,0.720705554,0.25806702,0.083923071,0.083923071,3.520143755,2.956189774,2.711441848,2.395720859,1.85513588,1.144602724,0.634090801,0.270913902,1.817854331,1.454123158,1.320258814,0.965531105,0.684064053,0.19132646,0.270913902,0.270913902,3.672453382,3.219906517,2.96785034,2.69850979,2.221055269,1.621067384,1.25583111,0.943918427,1.630469028,1.138124051,0.990264609,0.617674041,0.248010656,0.348786291,0.943918427,0.943918427,3.517648614,2.943329862,2.740639752,2.393110899,1.903582328,1.204335644,0.465143438,0.399277246,1.809572149,1.446007806,1.260698968,0.962252031,0.620695279,0.111699033,0.399277246,0.399277246,3.698999882,3.266825189,3.072077576,2.760569365,2.365328351,1.799003449,1.209058028,1.207644823,1.593964866,1.082863397,0.891068854,0.553237071,0.113774169,0.520042781,1.207644823,1.207644823,4.750095844,3.358525648,3.218009482,2.875758846,2.108873097,1.861717195,1.372793263,0.571428571,1.73401754,1.174928325,1.064287175,0.635454813,0.327523256,0.247580593,0.571428571,0.571428571,0,0,1,0,0,2,1,1,0,0,0,0,0,0,0,0,0,0,0,0.471404521,0,0.166666667,0,0.252236668,0,0.034020691,0,1.276142375,1.138071187,0.666666667,0.501036548,0.366153904,0.185395406,6.568914101,3.718744015,2.771064349,2.259305623,0.804737854,0.166666667,0,0,0.821114263,0.531249145,0.346383044,0.282413203,0.201184464,0.166666667,0,0,5.600953631,2.797877056,1.8324556,1.215925826,0.36785113,0.083333333,0,0,0.700119204,0.399696722,0.22905695,0.151990728,0.091962783,0.083333333,0,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.2055,31.471,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,52,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.98453704,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.554930556,0.5125,0,0,0,0,0,0,0,0,0,0,5.22412037,0,0.853842593,0,0,0,0.055555556,0,0,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,4.463935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.463935185,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305625,0.5125,0,0,0,0,0,0,0,0,0,0,1.411203704,0,0.853842593,0,0,0,0.055555556,0,0,-0.118055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,4.463935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,1.959907407,0,0.853842593,0,0,0,0.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.52060185,4.463935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21,2.625,0.555902778,10.52060185,0.305625,-0.118055556,2.708629074,1.784722222,3.520601852,8.969074074,1.784722222,3.520601852,8.969074074,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.5,0.27273,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,6.01086,0.75136,9.0653,3.05444,0.38181,2.61947,0.32743,3.71873,1.09926,0.13741,0.19527,0.02441,0.19527,0.02441,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,2.070950594,3.20869497,3.50869497,3.50869497,2.97650216,25.90923688,41.41901189,64.17389939,70.17389939,70.17389939,59.5300432,0.299741647,0.479172848,0.742422109,0.811835573,0.811835573,0.688697751,3.026466251,2.2509775,1.113233125,0.813233125,0.813233125,1.345425935,0.299741647,0.479172848,0.742422109,0.811835573,0.811835573,0.688697751,12.01211119,21.71746765,23.96333241,24.26567992,24.26567992,17.87936621,29.38046565,17.93632218,16.47566766,15.81239862,15.81239862,14.61239862,8,3.9375,2.8125,8,3,4,1.9,1.0284,0.766309432,1.5,2.941682753,0,0,1.414213562,0,1,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.426,0.519,0.065,3.13,8,8,4,1,0,0,0,0,0,36,2.197224577,2.397895273,2.48490665,1.791759469,0.693147181,0,0,0,0,0,3.784189634,1.194444444,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,3,5,0.666666667,2,1.333333333,0.375,0.08,0,0,0,0,0,0,0.285714286,0.166666667,0.046875,0.02,0,0,0,0,0,0,0.519255952,17.67586982,25.64773067,35.35173964,4.418967454,17.67586988,4.44E-16,5.55E-17,-28.28040497,29.18724838,3.648406047,2.698985532,26.3,127.2763612,4,3.433987204,4.143134726,4.875197323,5.609471795,6.34738921,7.085901464,7.825245291,8.564649133,9.304285985,72.18926213,2.708050201,0,3.850147602,0,5.209486153,0,6.642486801,0,8.103191752,8.371242136,116.0837296,5.804186481,14.49160575,1.811450719,5.077950154,5.077950154,0,68,8,1.356,30,1.230631579,2.10680655,2.889819559,3.564355007,4.389057371,5.349143907,6.79785035,0,0,0,94.58963281,108.879308,134.2715988,109.9193985,66.98196976,25.72757282,6.907051018,0,0,0,279.0386343,334.0250429,419.7085069,420.5430219,408.4064773,319.3254527,211.302643,0,0,0,9.500427541,16.18242679,21.88119533,28.39829995,33.03790729,36.6683616,45.67111286,0,0,0,1.953218228,2.479943116,3.152770837,3.243312831,3.65623049,3.602197189,3.022411991,0,0,0,180.0610686,338.2988374,465.0751377,599.7410964,745.7202625,930.9777688,1257.042526,0,0,0,3.768368421,6.155369749,8.568111114,12.1888228,10.529112,7.178776614,6.79785035,0,0,0,0.448387105,0.58516517,0.763555305,0.837353471,0.877974645,0.799509797,0.696099876,0,0,0,338.8200805,252.8657596,12.13944192,164.8720833,-123.0461445,-19.66429084,173.9479972,375.9119041,31.80373275,0.672672924,0.502024407,0.024100915,0.327327076,-0.244288384,-0.039040295,170.6610194,127.3665016,6.114541767,83.04477637,-61.97737876,-9.904749199,0.353778497,0.427092014,1.602123358,5.011195418,451.6892906,52.00287319,0.896756636,0.103243364,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,1014.28531,31.84784625,10.04739274,1.668155058,1.539546775,495.0290116,420.3362583,114.1531504,1.177697621,4.336533946,3.682213386,3.944755798,4.193003682,7.360793762,0.755494228,3.360032699,4.293005079,4.847085292,13.03653433,5.42563327,6.213619808,4.709670526,6.92449559,2.374204484,2.223323768,2.948224338,4.632195514,0.369242764,0.28803231,3.60E-18,8.68E-57,4.04E-117,3.62E-199,6.27E-303,0,0,0,0,0,0,0,0,0,0,0,0.298491782,4.443993348,0.459935393,5.033334073,0.865177266,1.931167879,1.053191497,0.452676845,0.104612005,0.19714718,1.142479908,0.09781656,0.002600846,0.002028635,2.54E-20,6.12E-59,2.84E-119,2.55E-201,4.41E-305,0,0,0,0,0,0,0,0,0,0,0,0.91615042,4.162909296,0.960463538,5.676574558,1.42686024,1.991644784,1.545504477,1.349794795,0.380200438,0.405365579,1.47887639,0.507466843,0.027100943,0.021139942,2.64E-19,6.37E-58,2.96E-118,2.66E-200,4.60E-304,0,0,0,0,0,0,0,0,0,0,0,3.176711882,4.443571398,5.562891658,13.12722209,5.14893918,6.26586238,4.803179225,6.740578564,2.172501974,2.546897185,2.826288627,4.172091108,0.32898882,0.256631602,3.21E-18,7.74E-57,3.60E-117,3.23E-199,5.58E-303,0,0,0,0,0,0,0,0,0,0,0,1.342655413,4.056105554,1.136391886,6.278302855,1.889307533,2.244065512,1.863317619,1.99973526,0.625287002,0.47736995,1.719361229,0.941864208,0.058866282,0.045918779,5.74E-19,1.38E-57,6.44E-118,5.78E-200,9.99E-304,0,0,0,0,0,0,0,0,0,0,0,4.057749124,4.388466877,6.806722368,16.29955632,7.120441514,8.109368509,6.038994012,9.209891697,3.205201203,3.168040706,3.412629123,6.542984811,0.538505091,0.420068054,5.25E-18,1.27E-56,5.89E-117,5.28E-199,9.14E-303,0,0,0,0,0,0,0,0,0,0,0,2.084251054,4.107910035,5.401829337,11.90086805,3.553270293,6.692271969,4.213229246,4.836292578,1.122234779,2.00545607,2.499279873,1.789440542,0.120570079,0.094051366,1.18E-18,2.84E-57,1.32E-117,1.18E-199,2.05E-303,0,0,0,0,0,0,0,0,0,0,0,4.977041903,1.156823915,0.501467609,0.750081659,0.174342997,0.496886923,0.42534389,0.442705071,6.635333427,8.833496125,18.35605995,0.625122488,1.364935885,3.585743667,0.840383992,0.170110926,0.780147419,0.182841682,0.259222114,0.238256437,0.047460256,4.596238585,3.766334251,8.875185367,0.670221128,0.544938807,4.208466049,0.909937418,0.298046752,0.776978626,0.16799516,0.355437207,0.264656551,0.157578491,5.416450219,5.354964259,11.91276685,0.665467939,0.777672248,4.864206345,1.148659577,0.486435341,0.748419891,0.176735857,0.474784285,0.420494959,0.418896424,6.499301263,8.512187688,17.7293575,0.622629837,1.314175668,4.513127767,0.968652356,0.358859871,0.772711171,0.165846955,0.408505259,0.298067827,0.22683464,5.840639994,6.338842749,13.74829316,0.659066756,0.933407726,5.053318218,1.190294538,0.526301703,0.746437529,0.175821208,0.512259998,0.450398332,0.487872485,6.769914459,9.3009611,19.23654719,0.619656293,1.450530815,4.881928224,1.163583272,0.489716548,0.747017272,0.178047845,0.478429683,0.431814877,0.422940946,6.535228045,8.641117039,17.95819464,0.620525908,1.333185507 +UMLYSI0359,L,2-butanol,CCC(C)O,saturated alcohols,C4H10O,78-92-2,6568,PubChem,,24.8,0,-0.6961,0.48455521,20.6715,14.50993,0,0,15,5,10,0,4,0,1,0,0,0,0,0,0,0,843.185125,750.047136,853.487804,562.433806,147.355488,12.192768,0,0,0,2221.295828,2687.923385,3243.668662,2771.42227,1484.369629,373.0049332,0,0,0,110.69842,106.185288,184.178432,223.84576,172.295424,80.621568,0,0,0,16.24493305,20.26270678,26.37961435,24.3864222,15.6236948,5.335354858,0,0,0,2541.80523,2097.013603,4030.47633,5109.418917,4216.257792,2219.011824,0,0,0,58.02777778,38,59.66666667,76,46,12,0,0,0,56.21234167,53.57479543,34.13951216,18.74779353,6.139812,1.016064,0,0,0,148.0863886,191.9945275,129.7467465,92.38074234,61.84873452,31.08374443,0,0,0,7.379894667,7.584663429,7.36713728,7.461525333,7.178976,6.718464,0,0,0,1.082995537,1.447336198,1.055184574,0.81288074,0.650987283,0.444612905,0,0,0,169.453682,149.7866859,161.2190532,170.3139639,175.677408,184.917652,0,0,0,3.868518519,2.714285714,2.386666667,2.533333333,1.916666667,1,0,0,0,0.216197349,-0.110450613,0.014042513,-0.020379061,-0.011179857,0.019868345,0,0,0,476.9038497,-65.66428988,-40.39439656,-209.5424144,-108.5230378,185.6722138,0,0,0,665.1575892,-80.97945498,-184.885512,-221.2917839,-100.4615036,255.0394598,0,0,0,1.034995733,-0.103350151,0.003652711,-0.3913104,-0.17665984,0.150169813,0,0,0,2.896898448,-0.288018268,-1.187267327,-0.672028437,-0.218798891,0.917663699,0,0,0,16.06108614,-1.477481838,-7.083971123,-3.258856276,-0.85579307,4.645559237,0,0,0,23.27037037,-4.656049383,1.399382716,-6.707407407,-4.943703704,3.272592593,0,0,0,0.014413157,-0.00788933,5.62E-04,-6.79E-04,-4.66E-04,0.001655695,0,0,0,31.79358998,-4.69030642,-1.615775862,-6.984747147,-4.521793243,15.47268448,0,0,0,44.34383928,-5.784246784,-7.395420478,-7.376392796,-4.185895982,21.25328832,0,0,0,0.068999716,-0.007382154,1.46E-04,-0.01304368,-0.007360827,0.012514151,0,0,0,0.193126563,-0.020572733,-0.047490693,-0.022400948,-0.00911662,0.076471975,0,0,0,1.070739076,-0.105534417,-0.283358845,-0.108628543,-0.035658045,0.387129936,0,0,0,1.551358025,-0.332574956,0.055975309,-0.223580247,-0.205987654,0.272716049,0,0,0,-0.54737,0.038971374,-0.047130692,-0.032319596,0.114873891,0,0,0,-0.147523649,-0.050820806,-0.21969042,-0.142223424,0.486660503,0,0,0,-0.130440821,-0.166774474,-0.16634538,-0.094396337,0.479283902,0,0,0,-0.106988175,0.002117522,-0.18903962,-0.106679087,0.181365257,0,0,0,-0.106524618,-0.245904511,-0.115991024,-0.04720542,0.395968186,0,0,0,-0.098562217,-0.264638558,-0.101451927,-0.033302273,0.361553944,0,0,0,-0.214376663,0.03608149,-0.144119051,-0.132778927,0.175791819,0,0,0,1.43035073,0.70655142,1.266688712,1.079658356,0.283236866,0,0,0,1.394650417,1.074663198,1.209116159,0.930617893,0,0,0,0,1.611680217,1.296114319,1.027155369,0.800789914,0,0,0,0,1.046261318,0.834614455,1.516010114,1.000278198,0,0,0,0,1.696559902,1.411999962,0.9597445,0.714826138,0,0,0,0,1.704790797,1.432823488,0.954436546,0.694968552,0,0,0,0,1.162661149,0.801496101,1.467292695,1.027773357,0,0,0,0,13.95727422,7.103637112,10.86839614,14.10727422,2.821454845,7.105467187,0.25,0.088634171,0.017726834,-1.211618907,12.02410053,2.404820107,1.243456507,13.96008042,7.104673002,10.86965688,14.10963977,2.821927954,7.106500759,0.249265579,0.088565092,0.017713018,-1.212008747,12.0245071,2.404901419,1.243473413,16.47296295,8.036984237,12.20123322,16.23356627,3.246713253,8.037626883,-0.398994478,0.007800936,0.001560187,-2.426755769,15.48900389,3.097800777,1.370065173,13.96302567,7.105760236,10.87098041,14.11212255,2.82242451,7.107585566,0.2484948,0.088492526,0.017698505,-1.212418591,12.02493652,2.404987304,1.243491268,19.17311377,9.045409753,14.34158528,18.52373721,3.704747442,9.045637456,-1.082294264,0.141240331,0.028248066,-0.978646182,39.82646776,7.965293552,1.842265855,14.25158417,7.212359177,11.00239717,14.35546468,2.871092936,7.213964287,0.173134186,0.081047336,0.016209467,-1.25636095,12.08200119,2.416400237,1.24585842,15.0401872,7.813496377,12.45650458,15.39227053,3.078454106,7.814499466,0.586805556,0.120383667,0.024076733,-1.058535705,10.50811491,2.101622982,1.176073904,0,11.99646149,15.99794197,-0.418509322,0.077316056,4.261214377,6.232414071,4,14,14,14,4,0,0,0,0,0,10.93207,3.406798357,2.722975579,2.128007932,1.671412949,0.90425604,0.083923071,0.083923071,0.083923071,1.806936722,1.43187136,0.926196404,0.625057667,0.291744378,0.083923071,0.083923071,0.083923071,3.392535403,2.751266105,2.041205534,1.631836288,0.970331034,0.270913902,0.270913902,0.270913902,1.764034962,1.342889421,0.856704028,0.594678824,0.159498515,0.270913902,0.270913902,0.270913902,3.557555677,2.998025645,2.453877466,2.108977355,1.518705925,0.943918427,0.943918427,0.943918427,1.547889465,1.025235221,0.404631057,0.047733341,0.438601933,0.943918427,0.943918427,0.943918427,3.404000376,2.785438649,2.065986553,1.639664584,1.034664133,0.399277246,0.399277246,0.399277246,1.738102188,1.285876764,0.824940138,0.543957244,0.060252212,0.399277246,0.399277246,0.399277246,3.610874584,3.099703924,2.554771637,2.244894115,1.720995423,1.207644823,1.207644823,1.207644823,1.493369699,0.925753364,0.282706625,0.080863695,0.637336497,1.207644823,1.207644823,1.207644823,4.223225424,3.200918032,2.835524336,2.02022972,1.27661878,0.585365854,0.585365854,0.585365854,1.638663751,1.111960346,0.556513662,0.114915916,0.304561772,0.585365854,0.585365854,0.585365854,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.182574186,0,0,0,0.40824829,0,0,0.182574186,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.731670646,1.950904231,1.257269657,0.590822476,0,0,0,0,0.746334129,0.487726058,0.314317414,0.295411238,0,0,0,0,7.423938123,14.76984705,13.97647059,14.2,8.473011976,116.5531018,0.494929208,0.98465647,0.931764706,0.946666667,0.564867465,7.770206786,0.7772,21.9718,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.665277778,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0.665277778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.334722222,0,0,0,0,0,0,0,0,0,0,0,3.726851852,0,0.861111111,0,0,0,-0.115740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.665277778,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0.665277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.777777778,0,0.861111111,0,0,0,-0.115740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.665277778,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0.665277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.949074074,0,0.861111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.83333333,2.566666667,0.665277778,8.361111111,0.2625,-0.115740741,1.975865741,1.449074074,2.361111111,4.722222222,1.449074074,2.361111111,4.722222222,2.33333,0.46667,0,0.03333,0.48444,0.85333,0.41765,0.48444,0.76111,0.0668,0,-0.0668,0.09222,0.54687,0.16742,0,0.57143,0.21429,0,2.25,0.45,2.25,0.45,0,0,-2.25,-0.45,0,0,3.72133,0.74427,4.43249,0.71116,0.14223,1.97593,0.39519,2.27005,0.29412,0.05882,0.14395,0.02879,0.14395,0.02879,0,4.01,1,1,1,1,1,1,1,1.158938532,1.871602261,2.739572262,3.139572262,2.618653516,1.189230611,17.38407799,28.07403392,41.09358393,47.09358393,39.27980274,17.83845916,0.296639618,0.479051618,0.701215505,0.803598715,0.670265382,0.304393118,2.747952063,2.035288334,1.167318334,0.767318334,1.28823708,2.717659985,0.304394667,0.491575464,0.719547381,0.824607195,0.687788128,0.312350867,10.66110191,15.77621224,18.11659746,18.51972748,12.26870252,1.198536379,18.1875248,14.100286,12.80341694,12.41710322,9.291590746,3.046773087,5,2.25,4,5,0,4,1.79,0.7309,0.333333333,1.414213562,1.414213562,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,2.392,4,2,0,0,0,0,0,0,0,15,1.609437912,1.609437912,1.098612289,0,0,0,0,0,0,0,2.772588722,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,4,1,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,20.23,86.5306239,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,74.07316494,4.938210996,8.696801932,1.739360386,2.31305253,2.31305253,0,18,2,0.742,16,1.209285714,2.097101499,2.82652275,3.401164822,4.232203289,0,0,0,0,0,76.07321488,80.86255987,58.266298,22.49122298,4.300189402,0,0,0,0,0,256.146358,292.5833566,275.6434627,224.1790861,131.5527254,0,0,0,0,0,9.195663069,15.56027504,21.16892491,24.41564145,28.43390544,0,0,0,0,0,1.87702597,2.32167468,2.380552895,2.333127416,1.881692198,0,0,0,0,0,178.755922,334.8392997,479.3305014,591.7291572,782.6090951,0,0,0,0,0,3.337380952,5.298146944,7.354136318,6.566558523,4.232203289,0,0,0,0,0,0.417144579,0.540168048,0.577137006,0.550550239,0.433377617,0,0,0,0,0,301.7784451,158.3469278,12.59980758,160.2987343,-84.11075251,-18.70397793,141.4797107,242.4576803,31.30378551,0.653090995,0.342685021,0.027267756,0.346909005,-0.182027497,-0.040478039,139.4449327,73.16850175,5.822083545,74.07038701,-38.86565927,-8.642681366,0.400419514,0.748528913,8.424052934,24.34430363,408.516248,53.56093134,0.884086612,0.115913388,283.9246063,16.8500625,6.572556742,389.1388631,19.72660293,7.300762184,430.7077729,20.75350026,7.551981252,1.513523352,1.361667188,180.7975766,139.8094598,62.05453681,1.29317127,2.91352713,2.253009481,3.139592126,3.220194404,5.261228039,0.633823111,3.224442391,3.228329692,2.592676891,8.023664815,4.911344299,2.248925578,1.472387121,6.656961858,1.281184098,0.006683872,3.96E-24,4.53E-67,9.99E-132,4.25E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290510157,3.355246397,0.203860181,3.160629,0.316016118,0.027887081,0.166677106,0.321129024,0.009023484,4.71E-05,2.79E-26,3.19E-69,7.04E-134,2.99E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.81835312,3.119019301,0.575860519,3.322457465,0.68716383,0.179060677,0.397212188,1.193167919,0.094031664,4.91E-04,2.91E-25,3.32E-68,7.33E-133,3.12E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.266568655,3.354869608,2.61743121,8.137299549,4.62818452,2.045346434,1.410589552,6.120066074,1.141511966,0.00595521,3.53E-24,4.04E-67,8.90E-132,3.79E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.139201109,3.029258368,0.811829706,3.606855395,1.078676245,0.362599447,0.558326504,1.916870058,0.20424934,0.001065558,6.32E-25,7.22E-68,1.59E-132,6.77E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.074611356,3.308545161,3.386567541,10.19148845,6.878376059,3.27967939,1.837891453,8.814047031,1.8684866,0.0097478,5.78E-24,6.61E-67,1.46E-131,6.20E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.029533971,3.540884206,2.192905703,8.410368849,3.16451183,0.965650126,1.105155947,3.503329126,0.439001809,0.00229025,1.36E-24,1.55E-67,3.42E-132,1.46E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.613462592,0.813613763,0.534317788,0.659733038,0.205385714,0.530515717,0.398155388,0.403849047,3.961394142,3.95749699,9.055037298,0.489599557,1.332520152,1.762460539,0.749540115,0.142294487,0.664003227,0.28238763,0.250926653,0.331690678,0.029558274,2.654295141,1.678478721,4.520749842,0.49600484,0.612175604,2.216960505,0.650193071,0.313822327,0.696943508,0.204400502,0.382445156,0.262814174,0.14596762,3.180975904,2.341229169,5.974565007,0.545415262,0.79122695,2.539335226,0.851564181,0.513116462,0.65044183,0.218125184,0.500824982,0.43674094,0.372432181,3.904015869,3.902333229,8.915915687,0.475662745,1.309998103,2.408582853,0.634842033,0.392865987,0.700925196,0.184746302,0.450638735,0.251766677,0.229887696,3.436290873,2.724727756,6.76173808,0.551387794,0.932293108,2.644000594,0.847317398,0.557085551,0.653097095,0.209296674,0.543002507,0.429882211,0.435730318,4.048403544,4.185270512,9.481717108,0.479645643,1.408615036,2.553385489,0.849258958,0.514136647,0.651909164,0.21682574,0.506369371,0.434125986,0.373432631,3.916781094,3.917909706,8.949588664,0.477863746,1.313927987 +UMLYSI0360,L,n-pentane,CCCCC,linear alkanes,C5H12,109-66-0,8003,PubChem,,24.6,0,-0.7614,0.57972996,20.5322,16.801516,0,0,17,5,12,0,5,0,0,0,0,0,0,0,0,0,733.513373,722.34154,659.864523,478.348754,281.592025,84.835296,9.144576,0,0,2490.589442,3070.907003,3615.5635,3075.021321,2068.222976,1061.424631,279.7536999,0,0,118.324148,115.573648,211.2051,249.09716,186.21226,123.32736,60.466176,0,0,19.27985486,24.51813172,32.41201372,30.05967844,21.03814958,12.01662072,4.001516144,0,0,2852.983605,2344.647997,4800.847795,6095.657421,4616.702266,3137.747111,1664.258868,0,0,26.75,31.5,46.25,49,37,24,9,0,0,43.14784547,45.14634625,21.9954841,13.28746539,10.42933426,4.713072,1.016064,0,0,146.5052613,191.9316877,120.5187833,85.41725893,76.60085098,58.96803508,31.08374443,0,0,6.960244,7.223353,7.04017,6.919365556,6.89675037,6.85152,6.718464,0,0,1.134109109,1.532383233,1.080400457,0.834991068,0.779190725,0.66759004,0.444612905,0,0,167.822565,146.5404998,160.0282598,169.3238172,170.9889728,174.3192839,184.917652,0,0,1.573529412,1.96875,1.541666667,1.361111111,1.37037037,1.333333333,1,0,0,0.024802919,-0.004412371,-0.010659831,-5.80E-05,-2.30E-04,-0.001768141,0.004726855,0,0,427.2917965,-60.32354774,-177.2004215,-21.78350335,-23.45915745,-25.13481156,94.25554334,0,0,794.5673416,-112.1742129,-329.5117505,-40.50735467,-43.62330503,-46.73925539,175.2722077,0,0,0.083703529,-0.011816969,-0.034712346,-0.004267239,-0.004595488,-0.004923737,0.018464014,0,0,3.552085711,-0.501470924,-1.473070839,-0.181086723,-0.19501647,-0.208946218,0.783548319,0,0,19.29498596,-2.723998018,-8.001744177,-0.983665951,-1.059332562,-1.134999174,4.256246903,0,0,2.029411765,-0.704152249,-0.566608997,0.055363322,0.291522491,-0.472318339,0.381487889,0,0,0.001458995,-2.76E-04,-3.55E-04,-1.61E-06,-8.52E-06,-9.82E-05,5.25E-04,0,0,25.13481156,-3.770221734,-5.906680716,-0.605097315,-0.868857683,-1.39637842,10.47283815,0,0,46.73925539,-7.010888308,-10.98372502,-1.125204296,-1.615677964,-2.596625299,19.47468974,0,0,0.004923737,-7.39E-04,-0.001157078,-1.19E-04,-1.70E-04,-2.74E-04,0.002051557,0,0,0.208946218,-0.031341933,-0.049102361,-0.005030187,-0.007222832,-0.011608123,0.087060924,0,0,1.134999174,-0.170249876,-0.266724806,-0.027324054,-0.039234539,-0.06305551,0.472916323,0,0,0.119377163,-0.044009516,-0.018886967,0.00153787,0.010797129,-0.026239908,0.042387543,0,0,-0.189015802,-0.243542731,-0.001104782,-0.005837242,-0.06732718,0.359977965,0,0,-0.15,-0.235,-0.024074074,-0.034567901,-0.055555556,0.416666667,0,0,-0.15,-0.235,-0.024074074,-0.034567901,-0.055555556,0.416666667,0,0,-0.15,-0.235,-0.024074074,-0.034567901,-0.055555556,0.416666667,0,0,-0.15,-0.235,-0.024074074,-0.034567901,-0.055555556,0.416666667,0,0,-0.15,-0.235,-0.024074074,-0.034567901,-0.055555556,0.416666667,0,0,-0.36865942,-0.15821256,0.012882448,0.090445518,-0.219806763,0.355072464,0,0,1.737649235,1.320475875,0.854935481,0.842596687,0.83641934,0,0,0,1.7,1.36,0.881481481,0.839506173,0.755555556,0,0,0,1.7,1.36,0.881481481,0.839506173,0.755555556,0,0,0,1.7,1.36,0.881481481,0.839506173,0.755555556,0,0,0,1.7,1.36,0.881481481,0.839506173,0.755555556,0,0,0,1.7,1.36,0.881481481,0.839506173,0.755555556,0,0,0,1.971014493,1.051207729,0.766505636,0.803005904,1.314009662,0,0,0,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,16.5764315,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,-5.33E-15,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,19.1627681,9.531384049,15.75236883,19.1027681,3.82055362,9.53153419,-0.1,1.11E-16,2.22E-17,-18.36840028,2000004.099,400000.8197,7.254329894,0,11.89,12.11005553,-0.170508481,0.049754285,4.958848989,6.384508432,4,16,16,16,4,0,0,0,0,0,13.118484,3.39394298,2.902564078,2.234828892,1.598026915,1.187258543,0.083923071,0.083923071,0.083923071,1.865929755,1.563026335,1.144444036,0.769718516,0.553887413,0.083923071,0.083923071,0.083923071,3.426706868,2.950308951,2.305078211,1.695309721,1.307890993,0.270913902,0.270913902,0.270913902,1.798813498,1.473453684,1.029023966,0.630337185,0.399096902,0.270913902,0.270913902,0.270913902,3.569283482,3.155598408,2.599681189,2.090117344,1.782051108,0.943918427,0.943918427,0.943918427,1.597427488,1.195492746,0.655367741,0.162386152,0.13353473,0.943918427,0.943918427,0.943918427,3.450769146,2.985267979,2.356141543,1.765276817,1.393671185,0.399277246,0.399277246,0.399277246,1.755722936,1.415133181,0.952630191,0.536857124,0.294397011,0.399277246,0.399277246,0.399277246,3.637744659,3.252217518,2.733638931,2.26277616,1.982670235,1.207644823,1.207644823,1.207644823,1.533404227,1.104407163,0.527456807,0.004703131,0.329741677,1.207644823,1.207644823,1.207644823,3.456167551,3.088017591,2.468817839,1.859415276,1.495457506,0.588235294,0.588235294,0.588235294,1.734780343,1.300863664,0.816419181,0.411275086,0.16336102,0.588235294,0.588235294,0.588235294,0,0,0,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,8.250966823,16.32702112,15.35294118,15.56,9.791326946,131.4268359,0.48535099,0.960413007,0.903114187,0.915294118,0.575960409,7.730990349,2.1965,25.199,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,4.423611111,0,4.076388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.211805556,0,1.34375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2,0,0,0,0,0,0,0,0,0,0,0,2.211805556,0,1.388888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.5,1.7,0.2,2.211805556,0.2,1.34375,3.875819444,0.15625,0.211805556,0.847222222,0.15625,0.211805556,0.847222222,2.5,0.5,0,0,0.41765,0.7,0.41765,0.41765,0.7,0,0,0,0,0.71429,0,0,0.4,0,0,2,0.4,2,0.4,0,0,-2,-0.4,0,0,4.09272,0.81854,4.09272,0,0,2.41421,0.48284,2.41421,0,0,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4,0,0,0,0,0,0,1,0.873981048,1.159554752,2.027489311,2.116299606,1.540007324,1.384692888,14.85767782,19.71243079,34.46731829,35.9770933,26.18012451,23.53977909,0.213819937,0.283685699,0.496026359,0.517753846,0.376763627,0.338765866,3.213481793,2.927908089,2.05997353,1.971163236,2.547455517,2.702769954,0.218495262,0.289888688,0.506872328,0.529074901,0.385001831,0.346173222,6.588780814,10.01566527,12.67169764,10.17480877,9.537453639,5.388226008,19.83472123,16.56436327,16.52370694,19.10355758,13.94714955,9.505207406,5,4,4,5,0,5,2.01,0.8131,0.25,3.301927249,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.085,0.064,0.127,0.04,2.269,3,2,1,0,0,0,0,0,0,15,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,0,0,2.772588722,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.5,4,1,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,0,95.03638183,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,72.09390038,4.24081767,8.849873734,1.769974747,0,0,0,20,2,3.185,14,1.2155,2.092697052,2.823121705,3.533912901,4.841113572,5.71185753,0,0,0,0,65.03495578,52.13174453,45.54109359,47.32919517,24.7140772,5.803612809,0,0,0,0,257.0304509,271.1018315,263.1097111,312.9939119,299.7831028,177.5459197,0,0,0,0,8.812494779,14.78166705,19.58010244,24.51829235,33.23728001,38.37490919,0,0,0,0,1.991404788,2.380722688,2.488409701,3.049449287,3.346326501,2.539565568,0,0,0,0,176.0959978,331.2997,474.7789493,593.0408367,838.4596352,1056.223283,0,0,0,0,2.46028125,3.320514809,3.949024734,5.174637486,6.625907833,5.71185753,0,0,0,0,0.414511875,0.507115079,0.538050516,0.66187002,0.74131772,0.584894211,0,0,0,0,342.5156733,101.0040335,8.289209607,159.5704575,-47.05553962,-9.58566614,182.9452158,148.0595731,17.87487575,0.682185092,0.201168738,0.016509537,0.317814908,-0.093720055,-0.019091677,171.9723692,50.71272439,4.161897179,80.11811361,-23.62593382,-4.812830024,0.089474877,0.22098478,1.95165641,14.67771004,502.0861309,0,1,0,248.3262766,15.75837163,6.285515363,364.5707096,19.09373482,7.143766615,343.5942835,18.53629638,7.004040413,1.91052409,1.91052409,262.2128483,247.8268546,31.1153899,1.058048566,8.427111122,7.964767771,3.319965475,3.220194404,6.42424645,0.994987148,3.346806641,3.794149359,1.817417009,10.98166136,5.542274002,0.143483173,1.978639402,8.390983759,1.622394608,4.292376918,0.162546804,1.12671055,8.03E-15,1.10E-50,2.92E-108,1.49E-187,1.47E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,0.28087429,3.79390147,0.118895535,3.082253751,0.04176018,0.001163757,0.277851465,0.333435168,0.940624858,0.067301418,0.001145899,0.007935515,5.65E-17,7.77E-53,2.06E-110,1.05E-189,1.04E-290,0,0,0,0,0,0,0,0,0,0,0,0,0,0.906696446,3.793918507,0.405967517,3.73400432,0.413773867,0.010874038,0.624992159,1.320674985,0.98758703,0.410275811,0.011932761,0.08269418,5.89E-16,8.09E-52,2.14E-109,1.10E-188,1.08E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,3.15911246,3.79412231,1.692338752,10.15820608,4.939943017,0.127928578,1.87450905,7.665112602,1.548039291,3.84995535,0.144827012,1.003878815,7.15E-15,9.83E-51,2.60E-108,1.33E-187,1.31E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336303737,3.793940168,0.620739546,4.466658491,0.892065326,0.023282332,0.863301197,2.193602889,1.047201643,0.799953504,0.025916922,0.179622808,1.28E-15,1.76E-51,4.66E-109,2.38E-188,2.35E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041753714,3.79426299,2.304478409,14.41643027,8.073995966,0.208843306,2.364197824,11.34265074,1.934734008,6.139116742,0.237055753,1.643201447,1.17E-14,1.61E-50,4.26E-108,2.18E-187,2.15E-288,0,0,0,0,0,0,0,0,0,0,0,0,0,2.026613018,3.446103369,0.912695501,5.76105827,1.924229325,0.049945048,1.21713962,3.521030779,1.535757028,1.652095205,0.056249377,0.389865242,2.78E-15,3.82E-51,1.01E-108,5.17E-188,5.10E-289,0,0,0,0,0,0,0,0,0,0,0,0,0,4.05573004,0.731531522,0.488220724,0.768788486,0.138666284,0.565615215,0.515061766,0.588213455,5.275482286,5.304134674,12.02811628,0.653182729,1.668890436,3.321390012,0.316307643,0.115953352,0.884842519,0.084266663,0.37933486,0.096296964,0.033179448,3.753651008,1.472384285,5.347853687,0.827263778,0.508811272,3.630227242,0.490936001,0.272515734,0.826238617,0.111736885,0.453159019,0.231975961,0.183267602,4.393678977,2.90529107,7.784650106,0.739357926,0.868402582,4.039189805,0.722179042,0.479835793,0.770660579,0.137788751,0.561011195,0.501976035,0.568182452,5.24120464,5.201693423,11.84258782,0.655990869,1.631169682,3.7602957,0.564481671,0.338452822,0.806371452,0.121049497,0.486213486,0.306685266,0.282682429,4.663230194,3.586351107,8.967987353,0.709557177,1.075581181,4.107027869,0.760537273,0.514225718,0.763134053,0.141316765,0.58001377,0.556716673,0.65254448,5.38179086,5.626574954,12.61457441,0.644701079,1.789274924,4.054481876,0.722580953,0.480551188,0.771163852,0.137435147,0.565267129,0.502534916,0.569877939,5.257614018,5.225314597,11.89079529,0.656745778,1.637679984 +UMLYSI0361,L,propyl acetate,CCCOC(=O)C,saturated esters,C5H10O2,109-60-4,7997,PubChem,,24.4,0,-0.3063,0.09381969,25.2386,17.07193,0,0,17,7,10,0,5,0,2,0,0,0,0,0,0,0,1243.417247,1130.35521,1306.655762,896.782412,652.173191,471.635182,127.119888,9.144576,0,2861.203507,3326.105375,3761.1497,3222.595612,2549.49024,1994.669063,1120.963057,279.7536999,0,131.590652,123.89952,216.636032,227.926208,162.604964,133.768576,111.43008,60.466176,0,19.67703705,23.5201631,28.22799493,24.77556311,20.05346753,16.77380788,10.95324725,4.001516144,0,2854.050872,2371.638531,4586.250325,4962.783937,3514.21717,2984.992532,2583.794029,1664.258868,0,86.52777778,49.33333333,90.75,83.33333333,59.16666667,51.5,39,9,0,73.142191,70.64720063,46.66627721,30.92353145,31.05586624,26.20195456,8.4746592,1.016064,0,168.3060886,207.8815859,134.326775,111.1239866,121.4042971,110.8149479,74.73087045,31.08374443,0,7.740626588,7.74372,7.737001143,7.859524414,7.743093524,7.431587556,7.428672,6.718464,0,1.157472768,1.470010194,1.008142676,0.854329762,0.954927025,0.931878216,0.730216483,0.444612905,0,167.8853454,148.2274082,163.7946545,171.1304806,167.3436748,165.8329184,172.2529352,184.917652,0,5.089869281,3.083333333,3.241071429,2.873563218,2.817460317,2.861111111,2.6,1,0,0.259020799,-0.159897902,0.085068955,-0.041697826,-0.02994846,0.027555512,-0.017516559,0.006925881,0,629.8202065,-12.09745997,91.73601781,-167.7205147,-177.8298939,-94.02048697,-179.9618835,224.9841179,0,780.5766247,-146.4197851,-127.2398513,26.00899534,-69.11509619,-151.8585842,-192.6989712,271.0349803,0,1.881607059,-0.015005232,0.713723903,-0.933760277,-0.579772955,-0.121843239,-0.264966228,0.260820498,0,3.424768994,-1.080059213,-1.075972452,0.612461031,0.183358534,-0.675068428,-0.547411538,0.870307568,0,19.34959846,-6.628413839,-6.404200317,3.766455678,1.603076162,-3.710876468,-2.528581896,4.227741453,0,36.4869281,-1.363514033,13.32545175,-13.16560938,-9.410322953,-2.745963091,-9.493367935,4.609861592,0,0.015236518,-0.009993619,0.003038177,-0.001437856,-0.001426117,0.001530862,-0.001167771,7.70E-04,0,37.04824744,-0.756091248,3.27628635,-5.783466024,-8.468090185,-5.223360387,-11.9974589,24.99823533,0,45.91627204,-9.151236571,-4.544280402,0.896861908,-3.291195057,-8.436588014,-12.84659808,30.11499781,0,0.110682768,-9.38E-04,0.025490139,-0.03219863,-0.027608236,-0.006769069,-0.017664415,0.028980055,0,0.201457,-0.067503701,-0.038427588,0.021119346,0.008731359,-0.037503802,-0.036494103,0.096700841,0,1.138211674,-0.414275865,-0.22872144,0.129877782,0.07633696,-0.206159804,-0.168572126,0.46974905,0,2.146289889,-0.085219627,0.475908991,-0.45398653,-0.448110617,-0.152553505,-0.632891196,0.512206844,0,-0.655899148,0.199401009,-0.094369074,-0.093598629,0.100473207,-0.076642882,0.050506442,0,-0.020408287,0.088432964,-0.156106332,-0.228569251,-0.140988056,-0.323833372,0.67474812,0,-0.199302691,-0.098968845,0.019532551,-0.071678185,-0.183738523,-0.279783125,0.655867658,0,-0.008473107,0.230299077,-0.290909152,-0.24943572,-0.061157386,-0.15959499,0.261829875,0,-0.335077465,-0.190748337,0.104833021,0.043341054,-0.186162812,-0.181150829,0.480007352,0,-0.363970845,-0.200948071,0.114106879,0.067067455,-0.181126067,-0.148102616,0.412707988,0,-0.039705553,0.221735654,-0.211521534,-0.208783827,-0.071077773,-0.294876847,0.238647559,0,1.617615667,0.891336198,1.322755607,1.222186356,0.693771112,0.574521086,0.003245935,0,0.99899345,0.884590183,1.172578097,1.201864757,1.011853057,1.186019995,0,0,1.508256898,1.087756121,0.817209245,0.989538005,1.140104458,1.093964785,0,0,0.720275784,0.761305453,1.588912055,1.342256059,0.772361048,0.999380605,0,0,1.799320607,1.199157024,0.700621367,0.877617611,1.147377325,0.94891282,0,0,1.84360627,1.214948451,0.704132005,0.862905487,1.13226709,0.90413947,0,0,0.59153605,0.48049389,1.328140587,1.305098842,1.231288252,1.666350202,0,0,24.88535639,12.69267819,20.07121954,25.24249924,3.60607132,12.69268857,0.5,0.177014909,0.025287844,-1.212064923,25.1408673,3.591552472,2.257146291,24.89749644,12.6980138,20.08049966,25.25359012,3.607655732,12.69802412,0.498531158,0.176848447,0.025264064,-1.2127235,25.1312077,3.590172529,2.256877286,35.6954235,17.44871727,28.57593233,35.12543139,5.01791877,17.44871734,-0.797988956,0.083220968,0.01188871,-1.740379156,24.62915287,3.51845041,2.242751572,24.91023779,12.7036137,20.09024045,25.26523037,3.609318624,12.70362395,0.4969896,0.17667396,0.025239137,-1.213414495,25.12113263,3.588733232,2.2565966,47.1831373,22.50927439,37.84380203,45.63700264,6.519571805,22.50927439,-2.164588529,0.039865661,0.005695094,-2.255567967,28.55209238,4.07887034,2.346211155,26.15741564,13.25184201,21.04848955,26.40475019,3.77210717,13.25184769,0.346268372,0.160625674,0.022946525,-1.280075037,24.388317,3.484045286,2.235872944,23.12840321,11.86813711,19.00479622,23.63098824,3.375855463,11.86816688,1.172698413,0.314218712,0.044888387,-0.8103662,30.69704123,4.385291604,2.396916391,0,11.89,15.99591715,-0.315866438,0.301587185,3.643152771,5.992391274,6,16,15,15,5,1,1,0,0,1,13.80607,3.485465976,3.151810222,2.443843713,2.073301637,1.522768526,0.953513182,0.083923071,0.083923071,1.765503304,1.550263516,1.180040561,0.677171642,0.457974005,0.083923071,0.083923071,0.083923071,3.366418878,3.125766828,2.436106793,1.980328521,1.519743082,0.603791575,0.270913902,0.270913902,1.739796703,1.53422322,1.103578765,0.664292697,0.477010476,0.270913902,0.270913902,0.270913902,3.576356905,3.320128893,2.735393849,2.360028793,1.957682996,1.226376299,0.943918427,0.943918427,1.502715326,1.277819377,0.73565097,0.237376739,0.014593949,0.943918427,0.943918427,0.943918427,3.355706519,3.12344051,2.462676017,1.966326968,1.574502116,0.459589506,0.399277246,0.399277246,1.738250029,1.517472535,1.052032393,0.671922047,0.404976607,0.399277246,0.399277246,0.399277246,3.599734219,3.372547243,2.839111622,2.430365633,2.11641024,1.208936353,1.207644823,1.207644823,1.459674882,1.230981159,0.63121848,0.171167172,0.175287821,1.207644823,1.207644823,1.207644823,4.784895526,3.407876222,2.926227824,2.703012842,1.97744016,1.467506112,0.576923077,0.576923077,1.603145096,1.222950403,0.880058334,0.306891778,0.111471539,0.576923077,0.576923077,0.576923077,0,0,1,0,0,3,1,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.083333333,0,0,0,0.288675135,0.204124145,0.204124145,0.058925565,0.041666667,0.041666667,5.698670613,3.27005561,2.536075375,1.135027805,0.612372436,0.40824829,0,0,0.814095802,0.545009268,0.422679229,0.283756951,0.204124145,0.204124145,0,0,4.730710143,2.404030206,1.340043336,0.50944935,0.245790812,0.143728739,0,0,0.675815735,0.400671701,0.223340556,0.127362338,0.081930271,0.07186437,0,0,9.138737228,17.10050983,16.3254902,16.6,9.953251497,131.4503174,0.537572778,1.005912343,0.960322953,0.976470588,0.585485382,7.73237161,0.9595,26.924,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,47,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,1,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.5325,-0.192731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.239861111,0.5125,0,0,0,0,0,0,0,0,0,0,3.373611111,0,1.453287037,0,0,0,0,0,0,-0.192731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.980416667,4.552083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.552083333,-0.192731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.307222222,0.5125,0,0,0,0,0,0,0,0,0,0,1.412361111,0,0.550925926,0,0,0,0,0,0,-0.192731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.980416667,4.552083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.980416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,1.96125,0,0.902361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.980416667,4.552083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.16666667,2.738095238,0.670486111,9.980416667,0.305555556,-0.192731481,2.185059491,1.859398148,2.980416667,8.065,1.859398148,2.980416667,8.065,3.16666,0.45238,0,0.04762,0.5549,0.91905,0.42174,0.5549,0.91905,0.13316,0,-0.13316,0,0.49223,0.22206,0,0.42105,0.1579,0,5.25,0.75,3.75,0.53571,1.5,0.21429,-2.25,-0.32143,0,0,4.42985,0.63284,7.02591,2.59606,0.37087,2.15409,0.30773,3.27005,1.11596,0.15942,0.14395,0.02056,0.14395,0.02056,0,6.02,2,2,2,2,0,0,0.8,1.332820405,2.133387491,3.292770194,3.175123135,3.00719649,2.811892213,22.65794688,36.26758735,55.9770933,53.9770933,51.12234032,47.80216761,0.326075235,0.521934406,0.805578013,0.776795596,0.735712251,0.687930954,2.754642437,1.95407535,0.794692647,0.912339706,1.080266352,1.275570629,0.326075235,0.521934406,0.805578013,0.776795596,0.735712251,0.687930954,12.49498498,22.57177998,23.74023489,22.32847018,23.45242656,17.00916587,25.89308809,15.56333914,15.1628235,16.63632669,15.70788316,11.79667763,7,4.166666667,6,7,3,3,1.79,0.8875,0.2,1.807204007,1,0,1,0.816496581,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,2.859,6,4,3,2,0,0,0,0,0,28,2.079441542,2.197224577,1.791759469,1.609437912,1.386294361,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.444444444,0.25,0.16,0,0,0,0,0,0,0.25,0.074074074,0.0625,0.053333333,0,0,0,0,0,0,0.439907407,15.40476686,24.29793304,30.80953373,4.401361961,15.40476743,0.077224628,0.01103209,-1.792725804,25.11116161,3.587308801,2.256318703,26.3,109.9803765,3.807354922,3.218875825,3.80666249,4.48863637,5.105945474,5.789960171,6.418364936,7.100851909,7.734121303,8.415160466,65.07857894,2.564949357,0,3.610917913,0,4.795790546,0,6.042632834,0,7.321849714,7.65349491,102.0680796,6.00400468,12.67036528,1.810052182,5.171258731,5.171258731,0,52,4,1.022,24,1.2270625,2.096557665,2.845490369,3.665951165,4.757099572,5.613818697,6.768843635,0,0,0,96.90864932,107.7425269,97.96596658,130.9055909,135.799968,49.57398026,6.877578339,0,0,0,275.0821314,300.2300425,338.2445952,492.3242238,561.81901,440.4012782,210.4010056,0,0,0,9.573754286,16.3679256,22.43022931,28.41340973,35.36414972,41.57193194,45.47623228,0,0,0,1.899056374,2.204123118,2.549108,3.79815032,4.662284678,4.295410788,3.009515231,0,0,0,180.4501068,340.4842901,484.1294538,604.4525262,781.4988635,957.2567289,1251.678672,0,0,0,3.894911458,7.206081751,8.333915133,10.19379195,13.71302755,14.34947444,6.768843635,0,0,0,0.445526719,0.555305628,0.656395938,0.917212085,1.096986128,1.031435308,0.693129588,0,0,0,338.4165822,229.0772592,12.17176852,189.2506377,-128.1054761,-21.41162954,149.1659444,357.1827353,33.58339806,0.641344714,0.434132064,0.02306713,0.358655286,-0.242777022,-0.040577904,178.5713371,120.8765605,6.422643255,99.86135788,-67.59706045,-11.29821504,0.38161339,0.466581196,2.304235486,6.059192445,467.5761937,60.09102619,0.886119463,0.113880537,523.9030215,22.88892792,8.061520593,620.7733823,24.91532425,8.530563018,835.2695512,28.90103028,9.417642855,1.857548318,1.857548318,461.3837619,407.8238456,66.96007954,1.131331007,6.890430314,6.090551988,3.785007465,4.208298788,7.348219106,0.746125804,2.802231592,3.344511073,3.061880315,9.832473959,3.889436552,1.413498053,2.076352875,3.682095193,0.06483757,3.479866053,2.744153196,4.005941798,0.508819785,0.199769211,7.10E-19,4.87E-58,6.44E-119,1.64E-201,8.08E-306,0,0,0,0,0,0,0,0,0,0,0,0.2516794,3.49551831,0.283734146,4.042679073,0.232592806,1.325073095,1.367138128,0.417765671,0.08116269,0.269170162,1.067046706,0.126661854,0.003583749,0.001406991,5.00E-21,3.43E-60,4.54E-121,1.16E-203,5.69E-308,0,0,0,0,0,0,0,0,0,0,0,0.765034346,3.214432911,0.629410588,3.563687227,0.523739761,1.329307468,0.934316411,0.815119184,0.044639513,0.625082779,1.314247753,0.546944588,0.037344724,0.01466193,5.21E-20,3.57E-59,4.73E-120,1.21E-202,5.93E-307,0,0,0,0,0,0,0,0,0,0,0,2.650193139,3.495079447,3.379305695,10.33521165,4.175273894,1.418965284,2.326020655,3.963025104,0.084499931,3.778454089,2.607827339,3.637009084,0.45334933,0.177990771,6.33E-19,4.34E-58,5.74E-119,1.46E-201,7.20E-306,0,0,0,0,0,0,0,0,0,0,0,1.119938123,3.107627496,0.792051416,3.673099697,0.688720195,1.334945616,0.83251898,1.021734344,0.030989108,0.805922014,1.512190224,0.945779663,0.08111751,0.031847671,1.13E-19,7.76E-59,1.03E-119,2.62E-202,1.29E-306,0,0,0,0,0,0,0,0,0,0,0,3.384123505,3.439964249,4.207424707,12.77102894,5.670276675,1.447839105,2.588597699,5.030628011,0.078440227,4.874922631,3.28711876,5.521180612,0.742065543,0.29134462,1.04E-18,7.10E-58,9.39E-119,2.40E-201,1.18E-305,0,0,0,0,0,0,0,0,0,0,0,1.722265036,3.568266985,2.629830572,13.52415316,3.051254262,1.308891785,4.007977667,4.695975108,0.28382404,4.806388747,2.241493449,1.759552888,0.169356087,0.066491232,2.36E-19,1.62E-58,2.14E-119,5.47E-202,2.69E-306,0,0,0,0,0,0,0,0,0,0,0,5.739589443,0.749860253,0.391062371,0.834180565,0.108983204,0.584376269,0.433179952,0.470570081,6.880512067,6.841669574,15.40527106,0.751270847,1.488126302,4.111158228,0.612475685,0.065612924,0.858414354,0.127885596,0.314405582,0.253682448,0.013246802,4.789246837,2.827915886,7.782375046,0.78762153,0.581334831,4.969811197,0.592281228,0.197078865,0.862938598,0.102841398,0.441827951,0.270418246,0.119512232,5.759171289,4.039696737,10.37897476,0.794407897,0.831758429,5.546374904,0.77453177,0.366961376,0.82931883,0.115811461,0.546844838,0.463974663,0.414355364,6.68786805,6.615372181,14.8796489,0.743978245,1.425174864,5.377541555,0.591321303,0.26668865,0.86240031,0.094830634,0.513961725,0.270384284,0.218847364,6.235551508,4.771682858,11.85526557,0.793600465,1.003193373,5.79162191,0.780053699,0.411818664,0.829330087,0.111699626,0.594920599,0.468514254,0.521848338,6.983494273,7.224114759,16.06811354,0.74399513,1.58528319,5.616654286,0.788054694,0.370853144,0.828957684,0.116308386,0.560977835,0.480446434,0.423190768,6.775562124,6.801437238,15.21848096,0.743436526,1.464615037 +UMLYSI0362,L,isopropyl acetate,CC(C)OC(=O)C,saturated esters,C5H10O2,108-21-4,7915,PubChem,,23.7,0,-0.029,8.41E-04,26.9114,17.07193,0,0,17,7,10,0,5,0,2,0,0,0,0,0,0,0,1243.417247,1130.35521,1471.601735,909.326256,819.198668,245.0952,18.289152,0,0,2861.203507,3326.105375,3898.212699,3547.102556,2961.626302,1962.172413,559.5073998,0,0,131.590652,123.89952,216.79958,236.443656,176.262464,162.393984,120.932352,0,0,19.67703705,23.5201631,28.36363554,26.58574343,23.92820723,17.90497835,8.003032287,0,0,2854.050872,2371.638531,4586.204481,4937.301463,3940.943991,3503.329189,3328.517736,0,0,87.80555556,50.16666667,95.22222222,90.83333333,68,69,18,0,0,73.142191,70.64720063,52.55720482,31.35607779,34.13327783,11.6712,1.016064,0,0,168.3060886,207.8815859,139.2218821,122.3138812,123.4010959,93.43678159,31.08374443,0,0,7.740626588,7.74372,7.742842143,8.153229517,7.344269333,7.733046857,6.718464,0,0,1.157472768,1.470010194,1.012986984,0.916749773,0.997008635,0.852618017,0.444612905,0,0,167.8853454,148.2274082,163.7930172,170.2517746,164.2059996,166.8251995,184.917652,0,0,5.16503268,3.135416667,3.400793651,3.132183908,2.833333333,3.285714286,1,0,0,0.253801952,-0.168264327,0.131426407,-0.122079814,0.055827386,-0.039157243,0.015346615,0,0,629.8202065,-12.09745997,256.6819908,-491.4706006,66.91561551,-584.9078849,449.9682359,0,0,780.5766247,-146.4197851,9.823148243,-118.6555095,-20.67320392,-656.4329226,542.0699606,0,0,1.881607059,-0.015005232,0.877271903,-1.642178159,0.108219917,-0.790752955,0.521640997,0,0,3.424768994,-1.080059213,-0.940331843,1.045144861,-0.512622795,-1.965130644,1.740615137,0,0,19.34959846,-6.628413839,-6.450044287,7.717005127,-3.48392389,-9.284905246,8.455482906,0,0,36.61437908,-2.878892734,17.28710111,-23.42387543,4.916955017,-23.94031142,9.73183391,0,0,0.014929527,-0.01051652,0.0046938,-0.004209649,0.002326141,-0.001864631,8.53E-04,0,0,37.04824744,-0.756091248,9.167213958,-16.94726209,2.788150646,-27.85275642,24.99823533,0,0,45.91627204,-9.151236571,0.350826723,-4.091569294,-0.861383497,-31.2587106,30.11499781,0,0,0.110682768,-9.38E-04,0.031331139,-0.056626833,0.004509163,-0.037654903,0.028980055,0,0,0.201457,-0.067503701,-0.03358328,0.036039478,-0.021359283,-0.09357765,0.096700841,0,0,1.138211674,-0.414275865,-0.230358725,0.266103625,-0.145163495,-0.442138345,0.46974905,0,0,2.153787005,-0.179930796,0.617396468,-0.807719843,0.204873126,-1.140014829,0.540657439,0,0,-0.704410844,0.314397125,-0.281968,0.155808094,-0.124895495,0.057107619,0,0,-0.020408287,0.247439882,-0.457437619,0.075257289,-0.751796869,0.67474812,0,0,-0.199302691,0.007640575,-0.089109353,-0.018759874,-0.680776318,0.655867658,0,0,-0.008473107,0.28307152,-0.511613813,0.040739523,-0.340205646,0.261829875,0,0,-0.335077465,-0.166701977,0.178894146,-0.106024031,-0.464504335,0.480007352,0,0,-0.363970845,-0.202386542,0.233790982,-0.127536467,-0.388450018,0.412707988,0,0,-0.083541592,0.286656232,-0.375023083,0.095122278,-0.529307135,0.251026419,0,0,1.662351599,0.794201421,1.819115628,0.718428105,0.815901682,0.001898421,0,0,0.99899345,0.734936614,1.559340331,0.776517088,1.694314279,0,0,0,1.508256898,0.987417844,0.922998543,1.026428697,1.562806835,0,0,0,0.720275784,0.711637272,2.129449553,0.533928694,1.427686578,0,0,0,1.799320607,1.176525156,0.64582379,1.127995475,1.355589743,0,0,0,1.84360627,1.216302306,0.62490096,1.133313466,1.291627815,0,0,0,0.636513745,0.424197991,1.533011609,0.819350232,2.372214005,0,0,0,22.40803533,11.45401767,17.22302356,22.76517819,3.252168313,11.45405202,0.5,0.082563619,0.011794803,-1.745930302,29.68979492,4.241399275,2.373562367,22.42019644,11.4593638,17.23279623,22.77629012,3.253755732,11.45939796,0.498531158,0.082483901,0.011783414,-1.746606504,29.69702263,4.242431804,2.373732755,33.24255182,16.22228143,26.01300267,32.67255971,4.66750853,16.22228166,-0.797988956,0.033893166,0.004841881,-2.369179316,45.843267,6.549038142,2.677659838,22.43295993,11.46497476,17.24305337,22.7879525,3.255421785,11.46500872,0.4969896,0.082400315,0.011771474,-1.747316217,29.70462852,4.243518359,2.373912013,44.75556515,21.29548831,35.41771178,43.20943049,6.172775784,21.29548831,-2.164588529,0.008385209,0.001197887,-3.346900176,55.91502354,7.987860505,2.816683171,23.6824627,12.01436554,18.24905296,23.92979726,3.418542465,12.01438434,0.346268372,0.07460637,0.010658053,-1.816870572,30.5465881,4.3637983,2.393477098,21.67936099,11.14459,16.31885129,22.15017732,3.164311046,11.14464537,1.098571429,0.211061007,0.030151572,-1.088925639,22.37383045,3.196261493,2.175524395,0,11.89,15.99591715,-0.313091186,0.301801421,3.72174662,6.621130125,6,16,15,15,5,1,1,0,0,1,13.80607,3.511828774,3.123371714,2.333552793,2.14279327,1.690908236,0.772484697,0.083923071,0.083923071,1.759926773,1.533622391,1.249629723,0.653293177,0.378717191,0.083923071,0.083923071,0.083923071,3.392244367,3.088214382,2.405454588,2.054459074,1.509833621,0.541447266,0.270913902,0.270913902,1.74893207,1.503836717,1.134540686,0.738239464,0.352850544,0.270913902,0.270913902,0.270913902,3.598282853,3.283543256,2.704236987,2.439804522,1.950228387,1.164664016,0.943918427,0.943918427,1.514610912,1.246557074,0.76031856,0.307494046,0.125219843,0.943918427,0.943918427,0.943918427,3.376482633,3.088077797,2.457539916,2.036909838,1.516056245,0.447536303,0.399277246,0.399277246,1.753067238,1.482578202,1.058262671,0.754320772,0.316785825,0.399277246,0.399277246,0.399277246,3.61759015,3.336352667,2.838982085,2.509841208,2.042394285,1.208671216,1.207644823,1.207644823,1.478812455,1.195148933,0.631337262,0.245653983,0.24647246,1.207644823,1.207644823,1.207644823,4.662824635,3.422964293,2.787574972,2.587517045,2.332178388,1.196500944,0.555555556,0.555555556,1.598732576,1.241997601,0.920850378,0.283534122,0.111109956,0.555555556,0.555555556,0.555555556,0,0,1,0,0,3,1,0,0,0,0,0,0,0,0,0,0,0,0,0.816496581,0,0,0,0.319035594,0,0,0,0.471404521,0.942809042,0.23570226,0.165963653,0.262188697,0.048112522,5.86180732,3.125897658,3.023395961,0.942809042,0.942809042,0,0,0,0.837401046,0.520982943,0.431913709,0.23570226,0.23570226,0,0,0,4.89384685,2.298651089,1.658187544,0.401665913,0.331927305,0,0,0,0.699120979,0.383108515,0.236883935,0.100416478,0.082981826,0,0,0,9.138737228,17.10050983,16.3254902,16.6,9.953251497,131.4503174,0.537572778,1.005912343,0.960322953,0.976470588,0.585485382,7.73237161,0.9579,26.902,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,38,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,1,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.64305556,-0.212962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.309375,0.5125,0,0,0,0,0,0,0,0,0,0,5.044444444,0,0,0,0,0,0.025462963,0,0,-0.212962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.03194444,4.611111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.611111111,-0.212962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.376736111,0.5125,0,0,0,0,0,0,0,0,0,0,1.402777778,0,0,0,0,0,0.025462963,0,0,-0.212962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.03194444,4.611111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.03194444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,1.820833333,0,0,0,0,0,0.025462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.03194444,4.611111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.5,2.785714286,0.655208333,10.03194444,0.256944444,-0.212962963,2.220049537,1.87962963,3.031944444,8.286111111,1.87962963,3.031944444,8.286111111,3.16666,0.45238,0,0.04762,0.5549,0.91905,0.42174,0.5549,0.91905,0.13316,0,-0.13316,0,0.49223,0.22206,0,0.57895,0.31579,0,5.25,0.75,3.75,0.53571,1.5,0.21429,-2.25,-0.32143,0,0,4.80511,0.68644,7.47656,2.67145,0.38164,2.02263,0.28895,3.12588,1.10325,0.15761,0.28812,0.04116,0.28812,0.04116,0,6.02,2,2,2,2,0,0,0.8,1.332820405,2.015740432,2.777776811,2.777776811,2.537337821,2.056459839,22.65794688,34.26758735,47.22220579,47.22220579,43.13474295,34.95981727,0.326075235,0.49315199,0.679584603,0.679584603,0.620761073,0.503114015,2.754642437,2.071722409,1.30968603,1.30968603,1.55012502,2.031003002,0.326075235,0.49315199,0.679584603,0.679584603,0.620761073,0.503114015,12.49498498,21.16001527,21.92801461,21.92801461,18.08221348,12.31167771,25.89308809,17.03684232,17.28075429,17.28075429,15.35724237,12.47197448,7,3.06122449,6,7,3,3,1.79,0.8875,0.944940787,0,3.464101615,0,0,0,0,0.5,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.426,0.519,0.065,2.631,7,4,4,0,0,0,0,0,0,28,2.079441542,2.302585093,1.791759469,1.945910149,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,2.5,0.444444444,0.5,0,0,0,0,0,0,0,0.416666667,0.063492063,0.125,0,0,0,0,0,0,0,0.60515873,14.17597107,21.64007268,28.35194213,4.050277447,14.17597291,0,0,0,2000010.529,285715.7898,10.1560641,26.3,109.9803765,3.807354922,3.295836866,3.891820298,4.65396035,5.262690189,6.033086222,6.64509097,7.417580402,8.030409562,8.803424212,67.03389907,2.564949357,0,3.713572067,0,4.976733742,0,6.300785795,0,7.655864018,7.958576904,102.0680796,6.00400468,12.50916243,1.787023205,5.113027641,5.113027641,0,48,4,1.124,26,1.2270625,2.095775463,2.867071874,3.554020762,4.358642596,5.067810327,0,0,0,0,96.90864932,122.1149605,93.48476322,125.9532806,49.97234008,5.149219632,0,0,0,0,275.0821314,313.2357477,364.611593,461.1217689,413.8459218,157.526521,0,0,0,0,9.573754286,16.41431631,23.36529167,25.9708033,33.2050412,34.04790124,0,0,0,0,1.899056374,2.221638183,2.724159596,3.718724796,3.836159286,2.253213871,0,0,0,0,180.4501068,340.1509926,485.6714803,578.3166074,720.4674736,937.1275866,0,0,0,0,3.944479167,7.633972665,9.005469264,9.685833283,13.25723008,5.067810327,0,0,0,0,0.445526719,0.569246216,0.700054439,0.856636082,0.923449295,0.518943777,0,0,0,0,352.2888081,231.0473736,12.40245544,123.2994695,-80.86552267,-17.41435416,228.9893386,311.9128963,29.81680959,0.740743254,0.485813853,0.026078135,0.259256746,-0.170032624,-0.03661645,167.5444275,109.8834225,5.89846242,58.63978233,-38.45869464,-8.2820627,0.394243004,0.477332489,1.339028368,8.632118465,420.2178953,55.37038235,0.883574964,0.116425036,523.9030215,22.88892792,8.061520593,620.7733823,24.91532425,8.530563018,895.3647952,29.92264686,9.638290343,1.404697295,1.061308066,325.6471272,261.4885463,102.4316109,1.245359048,3.179166318,2.552811033,3.559977454,3.119969617,6.13449298,0.966202794,2.802231592,3.344487813,2.672441826,8.624435236,4.788432756,3.757653368,3.327343292,3.899390975,2.922037183,0.214777569,0.639204279,1.98E-06,3.05E-33,1.06E-81,7.26E-152,9.67E-244,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2516794,3.495518146,0.178571385,5.696535648,0.401687417,1.430846695,2.017798253,0.49233931,0.08182324,0.01800248,0.004501968,1.40E-08,2.15E-35,7.44E-84,5.11E-154,6.81E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765034346,3.214431204,0.497571717,4.34228845,0.793030661,1.727541797,1.60803911,0.954878766,0.371801306,0.058128901,0.046913978,1.46E-07,2.24E-34,7.76E-83,5.33E-153,7.09E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650193139,3.495058722,2.647166917,10.01609681,5.510753581,3.676058008,3.499081471,4.352872143,2.64565024,0.202717141,0.569519504,1.77E-06,2.72E-33,9.42E-82,6.47E-152,8.61E-244,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.119938123,3.107623787,0.726704645,3.914471404,0.914908092,1.952724986,1.553106942,1.152804314,0.656900914,0.085686181,0.101903428,3.16E-07,4.87E-34,1.68E-82,1.16E-152,1.54E-244,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.384123505,3.439930326,3.604316618,10.68257369,6.94656263,4.622056958,4.144487432,5.261975429,4.061767263,0.2594478,0.932219367,2.89E-06,4.45E-33,1.54E-81,1.06E-151,1.41E-243,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.711826225,3.264324626,1.488508589,18.40358881,4.251636675,2.923306753,5.73716519,5.766761236,1.147720011,0.132489167,0.197285271,6.12E-07,9.42E-34,3.26E-82,2.24E-152,2.98E-244,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.755414235,1.243163118,0.507166044,0.682090313,0.225793872,0.555407758,0.496300514,0.485892004,5.505743397,7.203701172,15.07719614,0.523135469,1.537600277,2.447448492,0.824326627,0.200436359,0.704867347,0.237406803,0.244598317,0.197571208,0.054055422,3.472211478,2.673279653,6.549870876,0.55730102,0.496224946,3.124834456,0.960676153,0.319545744,0.709374456,0.218084873,0.385875,0.290522266,0.179982148,4.405056353,4.307461471,9.671779429,0.564061685,0.856379414,3.60542072,1.221788186,0.49431863,0.677516126,0.22959351,0.512311597,0.474506968,0.447529294,5.321527536,6.791239734,14.29027071,0.516274189,1.434347859,3.448535511,1.043747727,0.373607745,0.708716147,0.2145029,0.468538289,0.350327326,0.263134355,4.865890983,5.27775291,11.48840802,0.563074221,1.08199997,3.800406643,1.277580122,0.530397859,0.67762946,0.227798236,0.568784193,0.523657577,0.530646864,5.608384624,7.548677291,15.73231536,0.51644419,1.623088634,3.652609148,1.235819791,0.500778244,0.677763727,0.22931384,0.525891192,0.485098565,0.458176542,5.389207184,6.961985535,14.61168902,0.516645591,1.469166298 +UMLYSI0363,L,methyl butyl ether,CCCCOC,saturated ethers,C5H12O,628-28-4,12338,PubChem,,23,0,-0.5649,0.31911201,23.7499,17.603516,0,0,18,6,12,0,5,0,1,0,0,0,0,0,0,0,989.481374,962.405397,872.128032,696.670343,506.009998,265.373305,78.738912,9.144576,0,2706.980219,3252.849106,3754.678073,3355.275618,2534.97974,1616.245809,874.9221648,279.7536999,0,131.675864,128.1009,233.006664,237.762596,215.18848,152.163748,83.016576,60.466176,0,19.92305886,24.40791172,30.8574721,29.80087698,23.44702555,15.29628037,9.348943289,4.001516144,0,3038.434891,2524.540298,5114.499769,5509.86339,5140.414147,3666.971749,2028.241198,1664.258868,0,39,40.75,60.5,55.25,50,35,18,9,0,54.97118744,56.61208218,28.13316232,21.11122252,16.86699993,12.63682405,6.561576,1.016064,0,150.3877899,191.344065,121.1186475,101.6750187,84.49932466,76.96408613,72.9101804,31.08374443,0,7.315325778,7.535347059,7.516344,7.204927152,7.172949333,7.245892762,6.918048,6.718464,0,1.106836603,1.435759513,0.995402326,0.903056878,0.781567518,0.728394303,0.779078607,0.444612905,0,168.8019384,148.5023705,164.9838635,166.9655573,171.3471382,174.6177023,169.0200999,184.917652,0,2.166666667,2.397058824,1.951612903,1.674242424,1.666666667,1.666666667,1.5,1,0,0.178174548,-0.026126137,-0.08922908,0.009607144,0.023809444,-0.01856681,5.12E-04,0.010906465,0,557.7912351,-22.23608849,-208.6306899,-81.74149681,8.57301837,-35.74872741,-75.24607874,136.1344454,0,815.6252945,-167.3096657,-169.1850303,-152.3177268,-22.12162343,64.98588287,-158.5940003,196.7295164,0,1.059967111,0.044690617,-0.406187358,-0.069248148,-0.02999763,-0.192731407,0.030261926,0.093228444,0,3.576219349,-1.136506899,-0.280334941,-0.71978256,-0.249316669,0.600538563,-0.739798672,0.737091504,0,19.7674611,-6.839252288,-0.856732957,-4.004913046,-1.636833706,3.7215067,-4.051248641,3.783743387,0,7,0.305555556,-3.055555556,-0.75,0.666666667,-1,-0.666666667,1,0,0.009898586,-0.001536832,-0.002878357,2.91E-04,7.94E-04,-8.84E-04,4.26E-05,0.001211829,0,30.98840195,-1.308005206,-6.730022255,-2.477015055,0.285767279,-1.702320353,-6.270506562,15.12604949,0,45.31251636,-9.841745043,-5.457581622,-4.61568869,-0.737387448,3.094565851,-13.21616669,21.85883516,0,0.058887062,0.00262886,-0.013102818,-0.002098429,-1.00E-03,-0.009177686,0.002521827,0.010358716,0,0.198678853,-0.066853347,-0.009043063,-0.021811593,-0.008310556,0.028597074,-0.061649889,0.081899056,0,1.098192283,-0.402308958,-0.027636547,-0.121361001,-0.054561124,0.177214605,-0.337604053,0.420415932,0,0.388888889,0.017973856,-0.098566308,-0.022727273,0.022222222,-0.047619048,-0.055555556,0.111111111,0,-0.155257687,-0.290784706,0.029410825,0.080177929,-0.089319201,0.00430785,0.122424502,0,-0.042209508,-0.217178745,-0.079933617,0.009221749,-0.054934112,-0.202350111,0.488119701,0,-0.217197054,-0.120443137,-0.101863438,-0.016273372,0.068293842,-0.291667022,0.482401705,0,0.044642401,-0.222507587,-0.035634801,-0.016980317,-0.155852335,0.042824809,0.175908183,0,-0.336489496,-0.04551598,-0.109783162,-0.04182909,0.143936177,-0.310299202,0.412218285,0,-0.366337448,-0.02516549,-0.110509793,-0.049682669,0.161369377,-0.30741798,0.382825429,0,0.046218487,-0.253456221,-0.058441558,0.057142857,-0.12244898,-0.142857143,0.285714286,0,1.157134609,1.794330535,0.754072971,0.797928707,1.25203781,0.184304899,0.041971448,0,1.330784981,1.333832804,0.997573813,0.851346434,0.928485491,0.922442853,0,0,1.698345018,1.135716865,1.058922803,0.851994473,0.68284275,1.173077286,0,0,0.912066035,1.751786916,0.829170838,0.886730406,1.33732595,0.095090686,0,0,1.899203893,1.0679049,1.071720664,0.859948594,0.57575029,1.196040509,0,0,1.940586148,1.062941934,1.069741643,0.863279785,0.559730798,1.175385084,0,0,1,1.58640553,0.864718615,0.829761905,1.243197279,0.607142857,0,0,21.76018136,11.00509068,17.85647096,21.92684802,3.654474671,11.00513736,0.25,0.07876852,0.013128087,-1.524745115,19.11392947,3.185654912,1.770250417,21.76734052,11.00830305,17.86132699,21.93351757,3.655586262,11.00834957,0.249265579,0.078525523,0.013087587,-1.526598942,19.10991391,3.184985652,1.770124352,28.21030611,13.90565581,22.53874122,27.94430979,4.657384965,13.90565791,-0.398994478,0.105104355,0.017517393,-1.351680937,25.56416039,4.260693398,1.944714831,21.77485455,11.01167467,17.86642466,21.94051775,3.656752958,11.01172102,0.2484948,0.078270559,0.013045093,-1.528550249,19.10572693,3.184287821,1.769992877,35.16552425,17.04161499,28.03275466,34.44399474,5.74066579,17.04161507,-1.082294264,0.227313695,0.037885616,-0.888854578,19.93270552,3.322117586,1.795417126,22.5116451,11.34238964,18.37093569,22.62706789,3.771177982,11.34242187,0.173134186,0.053668023,0.008944671,-1.754962752,18.82192297,3.136987162,1.761013384,22.62475446,11.46842421,19.12551072,22.79875318,3.799792197,11.46845676,0.414285714,0.166538782,0.027756464,-1.075516242,20.95559602,3.492599337,1.825443434,0,11.99640057,15.99794223,-0.410930092,0.063149044,4.246408381,6.305383345,5,17,17,17,5,0,0,0,0,0,15.034484,3.403215575,2.985751415,2.496816361,1.87334728,1.291361507,0.763439836,0.083923071,0.083923071,1.821806637,1.489119355,1.295352646,0.877296956,0.578712053,0.083923071,0.083923071,0.083923071,3.392477574,2.919670588,2.547261968,1.930482946,1.378250804,0.517638816,0.270913902,0.270913902,1.773363484,1.460904664,1.191756695,0.759264888,0.43112435,0.270913902,0.270913902,0.270913902,3.560472919,3.189779887,2.809738788,2.283245837,1.83815431,1.152868247,0.943918427,0.943918427,1.556149687,1.136530133,0.853339092,0.329161243,0.091175083,0.943918427,0.943918427,0.943918427,3.407239125,2.919919005,2.58811172,1.982857224,1.454395755,0.443646107,0.399277246,0.399277246,1.745364372,1.438226969,1.123621062,0.680345624,0.331985161,0.399277246,0.399277246,0.399277246,3.616529971,3.254423808,2.926661065,2.429600403,2.027270056,1.208594559,1.207644823,1.207644823,1.49801736,1.06734241,0.741555604,0.186539841,0.277985542,1.207644823,1.207644823,1.207644823,3.579561,3.249890707,2.705169838,2.136125193,1.617756288,1.294031641,0.588235294,0.588235294,1.686908256,1.184369701,0.969240148,0.54690315,0.195113412,0.588235294,0.588235294,0.588235294,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.529568634,2.404030206,1.34635267,0.702015103,0.288675135,0.144337567,0,0,0.754928106,0.480806041,0.336588168,0.234005034,0.144337567,0.144337567,0,0,8.965765927,17.6576839,16.70196078,16.96,10.27156647,139.5813569,0.498098107,0.980982439,0.92788671,0.942222222,0.570642582,7.754519827,1.4329,26.784,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.782222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.263611111,0,0,0,0,0,0,0,0,0,0,0,3.883611111,0,3.334166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.782222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.782222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,1.731805556,0,0.913194444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.782222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.782222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.151805556,0,1.23,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.782222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12,2,0.45,4.782222222,0.24,0.913194444,3.284788333,0.586805556,1.282222222,2.868055556,0.586805556,1.282222222,2.868055556,2.83333,0.47222,0,0.02778,0.47593,0.82778,0.42,0.47593,0.82778,0.05593,0,-0.05593,0,0.57047,0.14382,0,0.35294,0,0,3,0.5,3,0.5,0,0,-3,-0.5,0,0,4.27925,0.71321,5.31294,1.03369,0.17228,2.33736,0.38956,2.91421,0.57685,0.09614,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5.01,1,1,1,1,0,0,1,1.134969975,1.66883889,3.086048612,3.308270835,3.308270835,2.844945834,20.42945954,30.03910002,55.54887502,59.54887502,59.54887502,51.20902502,0.272179949,0.40020837,0.74007293,0.793364589,0.793364589,0.682253478,3.034955027,2.501086112,1.083876389,0.861654167,0.861654167,1.324979167,0.27767102,0.408282339,0.755003466,0.809370253,0.809370253,0.696017541,10.25843817,16.66486515,19.31451736,19.53847847,19.53847847,13.97857847,21.93297423,14.92949168,14.02138751,13.50142084,13.50142084,10.72147084,6,5,5.333333333,6,0,4,1.9,0.8718,0.2,2.620741394,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.296,0.29,0.312,0.054,2.629,4,3,2,1,0,0,0,0,0,21,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,0,3.091042453,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.6,5,1,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,9.23,103.8266085,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,88.088815,4.893823056,10.83915043,1.806525072,2.670495129,2.670495129,0,35,3,1.37,18,1.219352941,2.077588858,2.826053921,3.52124875,4.799679892,5.821701107,6.825002823,0,0,0,79.98075655,65.11291576,71.87370627,76.34528081,70.63944919,41.60162821,6.934639668,0,0,0,253.901441,269.527256,312.1282837,343.7683722,400.1344697,450.1212106,212.1466435,0,0,0,9.273571843,15.67353635,20.44495835,25.60569699,35.01709191,40.39724969,45.85353576,0,0,0,1.845323016,2.175643333,2.677663664,3.022882831,3.675296309,4.740752815,3.034484331,0,0,0,179.6707561,339.4374914,468.9898667,593.2774495,833.0240884,974.2315769,1262.063497,0,0,0,3.057058824,4.156460097,4.88919231,6.429681043,8.360522729,9.039294658,6.825002823,0,0,0,0.418907206,0.507527749,0.611752854,0.710502916,0.864832302,1.038883066,0.698880289,0,0,0,364.5207955,194.2207527,12.63912091,149.8883471,-79.86218608,-14.68575469,214.6324484,274.0829388,27.32487559,0.708620367,0.377560849,0.024570172,0.291379633,-0.155250324,-0.028548782,187.5128298,99.90893087,6.501679349,77.10393612,-41.08183867,-7.554486476,0.105670503,0.720417973,1.928559582,13.00757889,496.3535424,18.05560019,0.964900312,0.035099688,381.6045052,19.53470003,7.253336587,497.8489382,22.31252873,7.925606906,544.5306423,23.33518036,8.165963629,2.449304128,2.449304128,414.8952352,399.3455171,32.27911435,1.038938006,12.85336489,12.37163798,3.532056644,4.238046685,7.409353229,0.748294386,3.346806833,3.611154022,5.897277372,11.24333076,6.719022004,2.143046196,3.728561808,7.329673837,1.330295483,3.785074137,3.004201827,3.727366167,0.078112304,0.879453324,1.41E-15,4.38E-52,2.62E-110,3.02E-190,6.71E-292,0,0,0,0,0,0,0,0,0,0,0,0.280874545,3.865067513,0.534380511,2.456222396,0.203126937,0.424011599,0.414636311,0.274593382,0.165994531,0.305209267,0.991339964,0.044448666,5.55E-04,0.006194062,9.95E-18,3.08E-54,1.84E-112,2.12E-192,4.72E-294,0,0,0,0,0,0,0,0,0,0,0,0.906696583,3.392607726,1.098038048,3.269703389,0.893429493,0.531670502,0.874716476,1.091887616,0.233575862,0.706073581,1.353761549,0.32031797,0.005746143,0.064546898,1.04E-16,3.21E-53,1.92E-111,2.21E-191,4.92E-293,0,0,0,0,0,0,0,0,0,0,0,3.159112715,3.864242561,6.76953301,10.60606656,6.093808394,1.960372431,4.13928781,6.708295303,1.247220221,4.129766611,2.863837123,3.333545533,0.069600178,0.783577079,1.26E-15,3.90E-52,2.33E-110,2.69E-190,5.97E-292,0,0,0,0,0,0,0,0,0,0,0,1.336303829,3.21307883,1.290620653,4.078077978,1.557249724,0.678239507,1.079831018,1.830034357,0.332959256,0.903973943,1.616937355,0.650995985,0.012468804,0.140204488,2.25E-16,6.98E-53,4.17E-111,4.81E-191,1.07E-292,0,0,0,0,0,0,0,0,0,0,0,4.041753946,3.771548404,8.379219983,14.86586588,9.290871964,2.937802689,5.027620602,10.00269897,1.82245301,5.27526707,3.543368905,5.376661248,0.113902769,1.282600021,2.06E-15,6.38E-52,3.82E-110,4.40E-190,9.78E-292,0,0,0,0,0,0,0,0,0,0,0,2.026613424,4.083867205,5.697762515,6.383955592,2.67571998,1.038664256,3.494629387,3.088838919,0.788761208,3.151557471,2.53514577,1.371644817,0.027051502,0.304309109,4.89E-16,1.51E-52,9.05E-111,1.04E-190,2.32E-292,0,0,0,0,0,0,0,0,0,0,0,5.54473623,0.606597607,0.46109735,0.838532164,0.091735943,0.557694391,0.543032411,0.55553493,6.612431187,6.199787461,14.36308442,0.757798245,1.656261732,4.492942409,0.287389698,0.094908115,0.9215838,0.058948828,0.367850046,0.102671963,0.023536008,4.875240222,1.744917671,6.742705657,0.8823757,0.494058017,4.963932719,0.409154127,0.250789313,0.882653277,0.072753047,0.446769326,0.237227522,0.164340336,5.623876159,3.378526319,9.511758974,0.823979915,0.848337184,5.484491991,0.598995291,0.443675919,0.840256605,0.091769621,0.545459843,0.523479898,0.514348921,6.527163201,5.984281687,13.96900231,0.760384907,1.583288663,5.178007575,0.465612181,0.32262871,0.867883328,0.078041031,0.486211351,0.316639749,0.271976976,5.966248466,4.231737158,10.97582518,0.801824992,1.074828076,5.604956236,0.630762547,0.484183995,0.834082936,0.093864832,0.569894914,0.587696124,0.612557663,6.719902778,6.554631702,14.98631687,0.751124403,1.770148701,5.527436696,0.599171085,0.449482807,0.840535364,0.091113569,0.554120693,0.527048393,0.52790076,6.576090588,6.065685108,14.13040892,0.760803046,1.609069846 +UMLYSI0364,L,2-methylbutanal,CCC(C)C=O,saturated aldehyde,C5H10O,96-17-3,7284,PubChem,,22.7,0,-0.1343,0.01803649,24.4583,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,890.291353,961.959145,894.889388,408.094725,60.573744,0,0,0,2644.81273,3144.163273,3902.70958,3743.297233,2295.336241,619.045825,0,0,0,118.238936,111.372268,196.343212,239.123648,222.62454,109.035072,0,0,0,19.03383305,23.6303831,31.73161866,31.9433118,21.3732037,6.939658816,0,0,0,2668.599586,2191.74623,4283.844262,5414.432233,5199.337317,2774.564654,0,0,0,75.02777778,42.66666667,58,79.5,83,33,0,0,0,61.71557788,59.35275687,35.62811648,27.11786024,13.6031575,4.0382496,0,0,0,165.3007956,209.6108849,144.5447993,113.4332495,76.51120803,41.26972167,0,0,0,7.3899335,7.424817867,7.271970815,7.246171152,7.420818,7.2690048,0,0,0,1.189614566,1.575358873,1.175245136,0.967979146,0.712440123,0.462643921,0,0,0,166.7874742,146.1164153,158.6608986,164.073704,173.3112439,184.970977,0,0,0,4.689236111,2.844444444,2.148148148,2.409090909,2.766666667,2.2,0,0,0,0.133174524,-0.031592466,-0.045046856,0.024413355,-0.005566277,-0.008795018,0,0,0,523.7576238,-43.92541314,-72.35878758,-52.13038973,-183.8490774,90.38485598,0,0,0,766.4429154,-94.95499335,-126.6965922,-243.026777,-189.3764956,270.8334004,0,0,0,1.03666,-0.00156025,-0.03636825,0.05444325,-0.3667015,-0.16814325,0,0,0,3.391946473,-0.464107523,-0.555736367,-1.531568493,-0.568772498,1.424211645,0,0,0,18.82152525,-2.587911668,-3.010722357,-9.07801104,-2.758357911,8.024240348,0,0,0,33.31770833,0.50249566,-1.857313368,1.646809896,-11.55403646,-5.396809896,0,0,0,0.008323408,-0.002106164,-0.001668402,7.40E-04,-1.86E-04,-5.86E-04,0,0,0,32.73485148,-2.928360876,-2.679955095,-1.57970878,-6.12830258,6.025657066,0,0,0,47.90268221,-6.33033289,-4.692466377,-7.364447788,-6.312549853,18.05556003,0,0,0,0.06479125,-1.04E-04,-0.001346972,0.001649795,-0.012223383,-0.01120955,0,0,0,0.211996655,-0.030940502,-0.020582828,-0.046411166,-0.018959083,0.094947443,0,0,0,1.176345328,-0.172527445,-0.111508235,-0.275091244,-0.091945264,0.534949357,0,0,0,2.082356771,0.033499711,-0.068789384,0.04990333,-0.385134549,-0.359787326,0,0,0,-0.253041117,-0.200446995,0.088881699,-0.022291657,-0.070444048,0,0,0,-0.089456978,-0.081868558,-0.048257704,-0.187210337,0.184074672,0,0,0,-0.132149863,-0.097958322,-0.153737692,-0.13177863,0.376921692,0,0,0,-0.001605412,-0.020789416,0.025463245,-0.188657933,-0.173010244,0,0,0,-0.145948065,-0.097090345,-0.218924051,-0.089431049,0.447872365,0,0,0,-0.146663943,-0.094792093,-0.233852456,-0.078161796,0.454755371,0,0,0,0.016087402,-0.033034389,0.023964832,-0.184951279,-0.172778907,0,0,0,0.958434674,0.822844197,0.712978851,1.361888658,1.268114983,0,0,0,1.170927332,1.02653417,0.951860526,1.121804501,0.643609002,0,0,0,1.491123972,1.185012412,1.113284365,0.881657021,0.163314042,0,0,0,0.512040592,0.612097184,0.691957388,1.615969556,1.631939112,0,0,0,1.594610489,1.21706953,1.181134465,0.804042133,0.008084267,0,0,0,1.599979575,1.211617284,1.190476381,0.800015319,3.06E-05,0,0,0,0.506904278,0.622977206,0.692938451,1.613256214,1.620759731,0,0,0,19.07574147,9.662870737,14.4985082,19.24240814,3.207068024,9.663046787,0.25,0.128542823,0.021423804,-1.230895906,25.51850439,4.253084065,1.943642311,19.0774681,9.663366838,14.49930899,19.24364515,3.207274192,9.663542767,0.249265579,0.128488204,0.021414701,-1.231150906,25.52998039,4.254996731,1.943912078,20.60686375,10.10393463,15.28155258,20.34086743,3.390144571,10.10403491,-0.398994478,0.073417373,0.012236229,-1.566956806,61.83159852,10.30526642,2.474648722,19.07928021,9.663887507,14.50014961,19.24494341,3.207490569,9.664063308,0.2484948,0.128430861,0.021405144,-1.231418738,25.54204514,4.257007523,1.944195554,22.22827193,10.57298883,16.29843504,21.50674242,3.584457071,10.57304789,-1.082294264,0.005970608,9.95E-04,-3.072543947,42.79936121,7.133226868,2.253913906,19.25653469,9.714834436,14.58326181,19.37195748,3.22865958,9.71499835,0.173134186,0.1227274,0.020454567,-1.258673784,26.83282304,4.472137173,1.973775527,23.35016711,11.65311133,17.90621205,23.54844754,3.924741256,11.65313845,0.59484127,0.174732955,0.029122159,-1.046697867,17.10920703,2.851534505,1.703770045,0,11.9887401,16.00592442,-0.388802192,0.20875827,3.607532855,7.162253476,5,15,14,14,4,1,1,0,0,1,11.89007,3.513466051,2.88593913,2.552527496,1.797230755,1.096851091,0.479006185,0.083923071,0.083923071,1.852548383,1.454091701,1.10018142,0.814585603,0.351969277,0.083923071,0.083923071,0.083923071,3.494704631,2.848821138,2.509463394,1.858352645,1.143390498,0.411630775,0.270913902,0.270913902,1.809866359,1.374949554,1.093564659,0.70757881,0.211035087,0.270913902,0.270913902,0.270913902,3.633282915,3.082992952,2.807566819,2.223778944,1.620304268,1.059676802,0.943918427,0.943918427,1.624339132,1.077969786,0.740234578,0.266713466,0.331909178,0.943918427,0.943918427,0.943918427,3.503322706,2.866399245,2.508663112,1.911241199,1.207657928,0.424097946,0.399277246,0.399277246,1.785668262,1.330370272,1.081787874,0.63004707,0.11688291,0.399277246,0.399277246,0.399277246,3.677433365,3.15853993,2.878507761,2.373390611,1.802773134,1.208173581,1.207644823,1.207644823,1.578245271,0.995173481,0.670809031,0.122496397,0.515515986,1.207644823,1.207644823,1.207644823,4.721338761,3.335887802,2.87182607,2.098130006,1.629177578,1.114821137,0.566037736,0.566037736,1.736854308,1.171764921,0.692213365,0.430267646,0.052371716,0.566037736,0.566037736,0.566037736,0,0,1,0,0,2,1,1,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.23570226,0,0,0,0.577350269,0.288675135,0,0.331927305,0.096225045,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.27005561,2.261740935,1.521614938,0.876258359,0.096225045,0,0,0,0.711675935,0.452348187,0.304322988,0.21906459,0.096225045,0,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,1.2314,25.519,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,29,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,1,0,1,0,0,0,0,0,0,0,0,2,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.73587963,0.972222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.566319444,0,0,1.278819444,0.401388889,0,0.566319444,0,0,0,0,0,0,0,0,3.908796296,0,0.961805556,0,0.972222222,0,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.73587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.73587963,0.972222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.566319444,0,0,0.265625,0.401388889,0,0.566319444,0,0,0,0,0,0,0,0,1.909722222,0,0.961805556,0,0.972222222,0,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.73587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.73587963,0.972222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.566319444,0,0,0.401388889,0.401388889,0,0.566319444,0,0,0,0,0,0,0,0,1.999074074,0,0.961805556,0,0.972222222,0,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.73587963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.83333333,2.638888889,0.654861111,9.73587963,0.265625,0.25462963,2.532630093,1.078703704,2.73587963,5.471759259,1.078703704,2.73587963,5.471759259,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.42,0.49792,0.82778,0.07792,0,-0.07792,0,0.57047,0.14382,0,0.47059,0.17647,0,4.25,0.70833,2.75,0.45833,1.5,0.25,-1.25,-0.20833,0,0,4.01102,0.6685,5.73058,1.71956,0.28659,2.10301,0.3505,2.80805,0.70505,0.11751,0.10595,0.01766,0.10595,0.01766,0,5.01,1,1,1,1,0,0,0.8,1.198192411,2.091917187,2.905639062,3.280639062,2.655639062,1.405639062,19.17107858,33.47067499,46.490225,52.490225,42.490225,22.490225,0.299548103,0.522979297,0.726409766,0.820159766,0.663909766,0.351409766,2.801807589,1.908082813,1.094360938,0.719360938,1.344360938,2.594360938,0.299548103,0.522979297,0.726409766,0.820159766,0.663909766,0.351409766,10.71860945,18.22125574,20.41536689,20.79330127,13.29330127,5.16341063,21.96987352,15.45225468,13.93383437,13.46691719,11.96691719,4.966917187,6,3.2,3,6,1,4,1.9,0.8288,0.333333333,2.149139864,1.414213562,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.441,0.435,0.583,0.156,2.684,5,4,1,0,0,0,0,0,0,21,1.945910149,1.945910149,1.945910149,1.098612289,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,17.07,101.1901498,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,86.07316494,5.379572809,10.6758508,1.779308466,2.363633046,2.363633046,0,31,4,1.449,20,1.227733333,2.126657165,2.8937045,3.51577669,4.079319942,0,0,0,0,0,82.91488771,85.22143613,87.17516558,56.78367383,20.0198812,0,0,0,0,0,281.1234338,331.947291,346.8506904,284.5345121,180.3057584,0,0,0,0,0,9.144762152,15.5336932,21.06294978,26.25599664,30.29866211,0,0,0,0,0,2.064173673,2.643704874,2.898406522,2.572008151,1.908432175,0,0,0,0,0,177.3432529,333.4121727,471.9206762,606.618758,754.6183724,0,0,0,0,0,3.534488889,4.741275361,7.273220717,10.3506969,10.38271748,0,0,0,0,0,0.444661,0.5822349,0.668829229,0.648027279,0.525300347,0,0,0,0,0,238.1777526,111.9494167,10.14948161,65.38758778,-30.73377858,-15.30216299,172.7901649,142.6831953,25.45164461,0.784601273,0.368781945,0.033434257,0.215398727,-0.101242713,-0.050408136,72.30251056,33.9839628,3.081030841,19.84940534,-9.329709958,-4.645206318,0.260570967,0.643676039,6.424570726,30.24641861,256.5752137,46.99012668,0.84520589,0.15479411,381.0567412,19.52067471,7.249864389,477.927102,21.86154391,7.818448017,580.1270486,24.08582672,8.340159795,1.450679412,1.26754325,285.0072602,240.6474468,67.63661408,1.184335275,4.213801416,3.557946389,3.489440941,3.220194404,5.498947764,0.707644656,2.80222057,3.837721108,2.40097524,13.94949752,4.966904128,3.625537676,3.202308505,2.788293521,0.806959368,1.999778572,2.50E-11,6.03E-44,2.80E-98,2.51E-174,4.35E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.251664719,3.837622654,0.200791041,4.536207089,1.816160027,0.661515134,0.25515471,0.119415518,0.138622207,0.22355117,2.79E-12,6.74E-45,3.13E-99,2.81E-175,4.86E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765026468,3.837511709,0.503159379,5.524321419,1.51603083,0.79358941,0.734861449,0.46081008,0.123805327,0.38725515,4.84E-12,1.17E-44,5.43E-99,4.87E-175,8.42E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650178473,3.837768741,2.552134305,13.41827212,4.879625838,3.784171892,3.128276418,2.553348553,0.76417149,2.511796119,3.14E-11,7.57E-44,3.52E-98,3.16E-174,5.46E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.11993283,3.837479611,0.66865805,6.427043928,1.612576435,0.949734879,1.062445463,0.755456257,0.160858209,0.383454968,4.79E-12,1.16E-44,5.37E-99,4.82E-175,8.34E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.384110175,3.837837756,3.237794141,17.5607422,6.725399398,4.963453517,4.117409502,3.74142629,1.151960341,2.920694263,3.65E-11,8.80E-44,4.09E-98,3.67E-174,6.35E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.697532427,3.178271046,2.838517827,10.11286113,5.832395785,4.37181678,2.572911101,1.310851818,0.68161686,4.485085442,5.61E-11,1.35E-43,6.29E-98,5.64E-174,9.76E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.411078981,1.282254327,0.510647228,0.57352287,0.305009578,0.473590273,0.484723514,0.407613913,4.203980536,4.977606871,10.76031278,0.360284304,1.3659277,3.013885207,0.657090768,0.137019571,0.791462377,0.172555551,0.731111542,0.121557513,0.029303799,3.807995547,2.483391701,6.562740279,0.687193565,0.881972854,2.395070967,0.941482354,0.290400398,0.66035333,0.259579368,0.461046762,0.256681115,0.132974143,3.626953719,3.223853464,7.505635993,0.490529995,0.85070202,2.547637481,1.244746137,0.493721273,0.594394572,0.290414297,0.524722831,0.453033539,0.384736354,4.286104891,5.04354238,10.89531737,0.391591857,1.362492724,2.210691674,1.066574521,0.361638934,0.607515611,0.29310314,0.395956161,0.334672175,0.204575833,3.63890513,3.543054468,8.034656256,0.411273417,0.935204169,2.456968186,1.319210359,0.536684295,0.569683822,0.305878116,0.491997952,0.512966657,0.450373492,4.312862839,5.267873601,11.32026864,0.354525733,1.455338101,2.569012977,1.24444206,0.492890695,0.596564497,0.288978669,0.533201732,0.452387766,0.3835109,4.306345732,5.076604304,10.95871557,0.394846746,1.369100398 +UMLYSI0365,L,"1,1-diethoxyethane",CCOC(C)OCC,other multi-oxygen compounds,C6H14O2,105-57-7,7765,PubChem,,22.4,0,0.8705,0.75777025,31.675,21.499102,0,0,22,8,14,0,6,0,2,0,0,0,0,0,0,0,1391.745624,1370.947551,1590.590087,1242.791854,1103.620149,597.292754,287.688409,84.835296,9.144576,3409.055386,4087.781343,4714.65819,4438.366043,4393.658304,3734.408849,2254.725443,1061.424631,279.7536999,166.005024,162.403932,298.945244,307.3666,235.56522,306.722504,226.523044,123.32736,60.466176,24.24438867,29.31368034,35.26733421,33.60195526,35.00670114,34.60614916,23.70582701,12.01662072,4.001516144,3720.515836,3137.47205,6341.328812,6728.575468,4923.683299,7143.172872,5726.208178,3137.747111,1664.258868,56.77777778,53.83333333,99.25,87.16666667,71.25,75,43,24,9,63.26116473,65.28321671,41.85763387,31.86645779,35.60064997,14.22125605,8.717830576,4.713072,1.016064,154.957063,194.6562544,124.0699524,113.8042575,141.730913,88.9144964,68.32501342,58.96803508,31.08374443,7.545682909,7.733520571,7.866980105,7.881194872,7.598878065,7.302916762,6.864334667,6.85152,6.718464,1.102017667,1.39588954,0.928087742,0.861588597,1.129248424,0.823955932,0.718358394,0.66759004,0.444612905,169.1143562,149.4034309,166.877074,172.5275761,158.8284935,170.0755446,173.5214599,174.3192839,184.917652,2.580808081,2.563492063,2.611842105,2.235042735,2.298387097,1.785714286,1.303030303,1.333333333,1,0.308429027,-0.131108167,0.055919498,-0.092192956,-0.005434407,-0.023048147,0.025051524,0.010821595,0.005776546,756.9471251,8.874414868,8.944966207,-127.2557205,-357.4610353,-310.8858994,173.2725545,54.6652562,171.3719008,984.5731867,-219.9866472,-161.7549977,308.3758272,-489.4520941,-279.0106504,138.4522368,-6.990828279,218.0805604,1.975697455,0.027826612,0.32385676,-1.230710942,-0.444263504,-0.455916231,0.401113818,0.217491174,0.172753587,4.276936093,-1.759795037,-1.094059985,2.354513798,-1.864655804,-0.522413676,0.261957729,-0.249630677,0.735615606,23.90632958,-10.92461568,-6.443666742,13.93160916,-9.738011022,-1.744426735,0.969083169,-1.642375072,3.639238126,12.15151515,-2.316345271,4.473140496,-7.480716253,-1.17056933,-5.016528926,3.121212121,0.694214876,1.619834711,0.014019501,-0.006243246,0.001471566,-0.002363922,-1.75E-04,-5.49E-04,7.59E-04,6.01E-04,6.42E-04,34.4066875,0.422591184,0.235393848,-3.262967192,-11.53100114,-7.402045223,5.250683468,3.036958678,19.04132231,44.75332667,-10.47555463,-4.256710466,7.907072492,-15.78877723,-6.643110724,4.195522326,-0.388379349,24.23117337,0.08980443,0.001325077,0.008522546,-0.031556691,-0.014331081,-0.010855148,0.012154964,0.012082843,0.019194843,0.194406186,-0.083799764,-0.028791052,0.060372149,-0.060150187,-0.012438421,0.007938113,-0.013868371,0.081735067,1.086651345,-0.520219794,-0.169570177,0.357220748,-0.314129388,-0.04153397,0.029366157,-0.09124306,0.404359792,0.552341598,-0.110302156,0.117714224,-0.191813237,-0.037760301,-0.119441165,0.094582185,0.038567493,0.179981635,-0.445325834,0.104965628,-0.168616695,-0.012504257,-0.039143005,0.054148653,0.042883103,0.045781834,0.01228224,0.006841514,-0.094835261,-0.335138369,-0.21513391,0.15260648,0.088266523,0.553419224,-0.234073205,-0.095114951,0.176681223,-0.352795611,-0.148438367,0.09374772,-0.008678223,0.541438485,0.014755138,0.09490118,-0.351393477,-0.159581001,-0.120875422,0.135349272,0.13454618,0.213740492,-0.431055027,-0.148097408,0.310546438,-0.309404698,-0.06398161,0.040832615,-0.071337087,0.420434499,-0.478736622,-0.156048376,0.328735385,-0.2890802,-0.038221984,0.027024452,-0.08396719,0.372115485,-0.199699165,0.213118519,-0.347272844,-0.068364036,-0.216245102,0.17123857,0.069825436,0.325852037,1.484558633,1.445173943,1.920764897,1.129032282,0.768845112,0.042519739,0.072398949,0,1.161600754,1.134149734,1.228861222,1.391588491,1.085094494,0.50889952,0.559789472,0,1.670560671,1.063719045,0.662028477,1.532587726,1.041751449,0.727538092,0.800291901,0,0.918632555,1.454088926,2.088404932,1.129295213,0.904303438,0.038194107,0.042013518,0,1.999519705,1.112084081,0.48878767,1.55978326,0.947668717,0.748727364,0.823600101,0,2.065827746,1.141668309,0.494668505,1.551757119,0.914746337,0.727619944,0.800381938,0,1.170407315,1.214020869,1.89065797,1.049915534,1.04925187,0.144014963,0.288029925,0,31.86903667,16.18451833,24.01478799,32.24403667,4.030504583,16.18451866,0.5,8.88E-16,1.11E-16,-27.72588722,3000011.092,375001.3865,11.93130124,31.8901513,16.19434123,24.03122553,32.26404967,4.033006209,16.19434156,0.498531158,7.77E-16,9.71E-17,-27.83271234,3000011.09,375001.3863,11.93130123,50.67548798,24.93874951,38.69231166,50.07699627,6.259624533,24.93874951,-0.797988956,2.22E-16,2.78E-17,-28.83492271,3000010.425,375001.3031,11.93130106,31.91231184,16.20465072,24.04847751,32.28505404,4.035631755,16.20465104,0.4969896,5.55E-16,6.94E-17,-28.10189013,3000011.088,375001.386,11.93130123,70.63409668,34.23475408,54.28829447,69.01065528,8.62633191,34.23475408,-2.164588529,4.44E-16,5.55E-17,-28.28040497,3000010.219,375001.2774,11.931301,34.08183528,17.21405183,25.73840564,34.34153656,4.29269207,17.21405194,0.346268372,0,0,0,3000010.944,375001.368,11.9313012,28.02841943,14.43649807,20.92628125,28.66185197,3.582731496,14.43650013,0.84457672,3.33E-16,4.16E-17,-28.51055062,3000011.202,375001.4002,11.93130126,0,11.89,15.99591765,-0.35392999,0.15482437,4.739466963,6.696756337,7,21,21,21,7,0,0,0,0,0,19.136898,3.45817483,3.112825407,2.862288913,2.144435841,1.975256377,1.518722539,0.897044263,0.475032266,1.727502086,1.632588974,1.51504102,0.918512487,0.852661958,0.62987754,0.083923071,0.083923071,3.337159892,3.095608481,2.907134641,2.097491976,1.92206946,1.603767451,0.571606491,0.403594789,1.738664324,1.574497861,1.428378271,0.867256636,0.758159662,0.516394804,0.270913902,0.270913902,3.571555395,3.310038789,3.111891679,2.474398868,2.317180522,1.99652276,1.198553499,1.053709831,1.472891661,1.303011727,1.14868188,0.42915509,0.304261446,0.051013413,0.943918427,0.943918427,3.31714537,3.11170699,2.940618426,2.110188737,1.950962728,1.666926375,0.453507526,0.422606157,1.74754833,1.538148249,1.371188434,0.827988415,0.699234984,0.433411384,0.399277246,0.399277246,3.595784684,3.38071793,3.20732282,2.578951931,2.438300471,2.160728451,1.208805609,1.20814229,1.436622079,1.230365333,1.059067648,0.321675301,0.172782958,0.106400217,1.207644823,1.207644823,3.696303249,3.319310648,3.034601421,2.517246618,2.392640332,1.758481008,1.405483103,0.963239005,1.517302995,1.395529966,1.263635643,0.558622714,0.496097665,0.307729303,0.580645161,0.580645161,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.096225045,0,0,0,0.40824829,0.552585858,0.288675135,0.136082763,0.184195286,0.096225045,6.405777394,3.808060412,2.682521985,1.562948829,1.129936127,0.288675135,0.144337567,0,0.800722174,0.54400863,0.383217426,0.260491471,0.225987225,0.144337567,0.144337567,0,5.808060412,3.040318622,1.478313168,0.80274943,0.517528619,0.096225045,0.048112522,0,0.726007552,0.434331232,0.211187595,0.133791572,0.103505724,0.048112522,0.048112522,0,11.22239284,21.87618354,20.77647059,21.12,12.55036048,170.7641329,0.510108765,0.994371979,0.944385027,0.96,0.570470931,7.762006042,1.4054,32.714,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,61,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,3,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.849444444,0,0,0,0,0,0,0,0,0,0,0,5.803611111,0,1.446759259,0,0,0,-0.037037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.12,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.351111111,0,0,0,0,0,0,0,0,0,0,0,1.895833333,0,0.72337963,0,0,0,-0.037037037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.7,0,0,0,0,0,0,0,0,0,0,0,1.953888889,0,0.72337963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.06,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.33333333,2.166666667,0.7,5.06,0.175277778,-0.037037037,3.188757222,1.37037037,1.56,6.24,1.37037037,1.56,6.24,3.66666,0.45833,0,0.04167,0.51515,0.89167,0.42308,0.51515,0.89167,0.09207,0,-0.09207,0,0.51402,0.20027,0,0.40909,0.13636,0,4.5,0.5625,4.5,0.5625,0,0,-4.5,-0.5625,0,0,6.41182,0.80148,8.49821,2.08639,0.2608,2.8326,0.35407,3.80805,0.97546,0.12193,0.10595,0.01324,0.10595,0.01324,0,7.02,2,2,2,2,0,0,1,1.240670532,1.638619964,2.526280482,2.901946959,2.901946959,2.699245522,27.2947517,36.0496392,55.5781706,63.8428331,63.8428331,59.38340148,0.278212705,0.367450407,0.566502796,0.650743684,0.650743684,0.605289138,3.218761087,2.820811655,1.933151137,1.557484659,1.557484659,1.760186097,0.282463768,0.373065015,0.575158906,0.660686986,0.660686986,0.614537899,11.58313238,16.35852556,18.62959593,19.00820201,19.00820201,16.57578477,29.24518972,22.88696024,21.75127647,21.24677985,21.24677985,20.03057123,8,5.142857143,5,8,0,2,1.9,1.0714,0.655185349,2.432880798,1.44224957,0,0.25,1,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0.003,0.525,0.536,0.458,0.053,3.26,7,6,5,2,1,0,0,0,0,36,2.079441542,2.079441542,1.945910149,1.791759469,1.098612289,0.693147181,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,7,1,0,3,6,1,1.5,0.666666667,0.375,0.08,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.0625,0.016,0.027777778,0,0,0,0,0,0.415801587,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,18.46,129.9128199,4,3.36729583,4.007333185,4.709530201,5.370638028,6.084499413,6.751101469,7.467942332,8.135932772,8.853522561,69.74779579,2.708050201,0,3.761200116,0,4.990432587,0,6.304448802,0,7.656810091,7.96241568,118.0993797,5.368153622,14.6584741,1.832309262,5.612859013,5.612859013,0,75,6,1.273,28,1.226619048,2.078197451,2.807414751,3.508097568,4.191526369,5.265693973,6.639684529,7.512021467,0,0,91.68814592,95.43699379,100.5981407,147.5851955,73.25339613,55.48728675,33.32097031,7.63269458,0,0,258.1229394,273.3051803,339.9064753,541.1241591,418.183273,399.0293498,406.8225536,233.5017554,0,0,9.601408614,16.48314218,22.29622549,26.98768538,30.99806263,36.28236081,45.56490717,50.46924579,0,0,1.790702393,2.001216279,2.505956085,4.163904903,3.726974015,4.058426966,4.554881182,3.339941686,0,0,182.1537303,344.2134009,482.6817035,552.3037441,704.2994163,903.1613689,1151.612277,1389.105372,0,0,3.29531746,5.67163744,6.5011465,8.603165976,7.995206797,7.169668715,9.03573253,7.512021467,0,0,0.428646786,0.522872044,0.646947396,0.982228739,0.864970555,0.887851874,1.009599901,0.769230998,0,0,409.8106497,328.7669556,14.78916645,124.8522917,-100.1616426,-15.82618005,284.958358,428.9285982,30.6153465,0.766484112,0.614905074,0.027660728,0.233515888,-0.187336048,-0.029600294,219.1105673,175.7795075,7.907219233,66.75389349,-53.55271844,-8.461671977,0.192883079,0.439930066,0.036395476,9.759864171,499.6908955,34.9720458,0.934590481,0.065409519,576.964303,24.02008125,8.324975831,712.5828082,26.69424672,8.931925941,970.8982372,31.15924,9.902037594,1.806811683,1.806811683,621.986954,562.6132865,93.54357575,1.105531933,6.649168038,6.014451362,4.125693504,4.23432431,8.268098663,0.952637082,3.904608132,4.946231819,6.001448836,9.353967044,9.393157367,3.261509143,3.661254131,10.62297812,4.530540993,0.357340079,8.381484739,5.813707996,0.132146597,3.918293036,1.341257501,0.009235738,1.09E-23,2.47E-66,1.08E-130,9.17E-217,0,0,0,0,0,0,0,0,0,0,0.327687182,4.888720186,0.780681329,2.699421059,0.338049845,2.006308232,0.334242321,4.024822339,0.24209065,0.025791419,0.332960503,0.273955772,0.103945619,0.328694911,0.009446586,6.50E-05,7.67E-26,1.74E-68,7.64E-133,6.46E-219,0,0,0,0,0,0,0,0,0,0,1.057812794,3.981577215,1.217234366,3.056540118,1.059974212,1.719370806,0.744404453,3.784036466,0.853881016,0.080700874,1.311512997,1.025331297,0.105830062,1.061159669,0.098440712,6.78E-04,7.99E-25,1.82E-67,7.96E-132,6.73E-218,0,0,0,0,0,0,0,0,0,0,3.685631713,5.390339511,7.060640809,9.767267017,9.175089339,3.434095794,3.363148482,10.67267675,4.218019788,0.332599276,7.65374442,5.340347057,0.129050376,3.698452413,1.195036286,0.008228877,9.70E-24,2.20E-66,9.66E-131,8.17E-217,0,0,0,0,0,0,0,0,0,0,1.559021211,3.671499176,1.361148275,3.535802154,1.703715247,1.70281425,1.105643269,4.14049659,1.34114868,0.122166731,2.180509824,1.653780537,0.108273343,1.564047621,0.213826381,0.001472383,1.74E-24,3.94E-67,1.73E-131,1.46E-217,0,0,0,0,0,0,0,0,0,0,4.715379796,5.528014072,8.493311463,11.6807228,13.56272305,3.920317187,4.87587955,13.52664204,5.964841859,0.454360506,11.34282196,7.71874867,0.14516579,4.732363829,1.956098011,0.013469457,1.59E-23,3.61E-66,1.58E-130,1.34E-216,0,0,0,0,0,0,0,0,0,0,2.382119,5.522825243,6.247117646,8.087664039,5.127280345,3.137602836,1.932101603,9.290140268,2.497201037,0.166744489,4.010289,2.768483444,0.14948617,2.641480468,0.452203361,0.003113818,3.67E-24,8.34E-67,3.66E-131,3.09E-217,0,0,0,0,0,0,0,0,0,0,6.411335231,1.169502445,0.544229336,0.789080905,0.143937575,0.545860143,0.43380934,0.435732778,8.125067012,11.62378648,23.82952436,0.683621358,1.415402261,4.619595032,0.682583308,0.145316088,0.848021984,0.12530225,0.283395027,0.14691169,0.030926605,5.447494429,3.923750276,9.82946389,0.772032976,0.461233323,5.676137964,0.898267834,0.317851966,0.823552769,0.130329982,0.427848782,0.255481844,0.148566339,6.892257763,7.18837996,15.70126705,0.735329153,0.831896965,6.212777157,1.136085236,0.51834377,0.78970565,0.144407711,0.512573284,0.408973153,0.395195954,7.867206163,10.86748144,22.39328462,0.684558475,1.316742391,6.108355861,1.001627422,0.401326946,0.813221086,0.133349228,0.495487924,0.318226361,0.23694963,7.511310228,8.971724606,18.93847217,0.719831629,1.050663915,6.450886553,1.196603193,0.567473953,0.785260506,0.14566141,0.552615704,0.454112535,0.473744415,8.214963699,12.05890268,24.65428377,0.677890759,1.480472654,6.325100089,1.152980806,0.528415963,0.78999595,0.144005653,0.531274802,0.421457166,0.410752833,8.006496858,11.24425632,23.10434231,0.684993924,1.363484802 +UMLYSI0366,L,methyl pentanoate,CCCCC(=O)OC,saturated esters,C6H12O2,624-24-8,12206,PubChem,,22.3,0,-0.4787,0.22915369,28.2595,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1298.833507,1456.484335,1257.516426,941.19086,702.149539,307.657897,78.738912,9.144576,3346.887898,3979.09551,4762.761225,4548.278785,3714.265063,2647.928293,1675.784234,874.9221648,279.7536999,152.568096,145.6753,259.225708,284.313216,254.0432,203.05558,140.266468,83.016576,60.466176,23.35516286,28.53615172,36.78646875,36.33799295,29.80851667,21.85036128,14.2329069,9.348943289,4.001516144,3350.680532,2804.677982,5515.965281,6313.712957,5543.212399,4618.210326,3113.018667,2028.241198,1664.258868,90.77777778,55.5,94.66666667,96.08333333,94.41666667,70.5,50,18,9,69.4856748,68.35965826,42.83777456,33.09253753,28.52093515,26.00553848,17.09210539,6.561576,1.016064,167.3443949,209.4260795,140.0812125,119.691547,112.5534868,98.07141824,93.09912411,72.9101804,31.08374443,7.6284048,7.667121053,7.624285529,7.481926737,7.698278788,7.520577037,7.792581556,6.918048,6.718464,1.167758143,1.501902722,1.081954963,0.956262972,0.903288384,0.80927264,0.79071705,0.779078607,0.444612905,167.5340266,147.6146306,162.234273,166.150341,167.9761333,171.0448269,172.9454815,169.0200999,184.917652,4.538888889,2.921052632,2.784313725,2.528508772,2.861111111,2.611111111,2.777777778,1.5,1,0.268816445,-0.153994386,0.033723533,0.012855182,-0.033203037,0.035210379,-0.041159262,0.001119575,0.011039794,715.056216,-13.739645,-1.811537,15.127146,-265.926436,7.524355,-265.655591,-40.4064,207.36,931.2646053,-148.2416011,-122.4050951,-14.14884213,-215.6424858,19.16980356,-112.6110536,-135.6305065,263.877478,1.9334688,0.00145024,0.61979824,-0.22837152,-0.73811392,-0.27482048,-0.69360032,0.13789152,0.20903184,4.097118945,-1.072153629,-0.507085629,-0.369569819,-0.513715691,-0.093027659,0.323052972,-0.7061549,0.890094883,23.01673804,-6.548761719,-2.379522922,-2.664583803,-2.327152719,-0.957925282,2.907731573,-3.94163228,4.403478133,37.42222222,0.021111111,9.515555556,-2.624444444,-16.81333333,-2.02,-11.41333333,1.013333333,3.61,0.013440822,-0.008104968,9.92E-04,3.38E-04,-0.001006153,0.001304088,-0.002286626,9.33E-05,0.001226644,35.7528108,-0.723139211,-0.0532805,0.398082789,-8.058376848,0.278679815,-14.75864394,-3.3672,23.04,46.56323026,-7.80218953,-3.600149857,-0.372337951,-6.534620782,0.709992725,-6.256169643,-11.30254221,29.31971978,0.09667344,7.63E-05,0.01822936,-0.006009777,-0.022367088,-0.010178536,-0.038533351,0.01149096,0.02322576,0.204855947,-0.056429138,-0.014914283,-0.009725522,-0.015567142,-0.003445469,0.017947387,-0.058846242,0.098899431,1.150836902,-0.344671669,-0.069985968,-0.070120626,-0.070519779,-0.035478714,0.161540643,-0.328469357,0.489275348,1.871111111,0.001111111,0.279869281,-0.069064327,-0.509494949,-0.074814815,-0.634074074,0.084444444,0.401111111,-0.603011299,0.073795233,0.025169163,-0.074857967,0.097024429,-0.170125431,0.006941385,0.091262555,-0.02022608,-0.001490246,0.011134308,-0.225391421,0.007794627,-0.412796746,-0.094180008,0.644424857,-0.167561174,-0.077317442,-0.007996394,-0.140338648,0.015247927,-0.134358583,-0.242735355,0.629675382,7.90E-04,0.188566374,-0.062165749,-0.231367462,-0.105287826,-0.398592945,0.118863671,0.240249649,-0.275457653,-0.07280376,-0.047474929,-0.075990677,-0.016818984,0.087609794,-0.287256692,0.482775496,-0.299496539,-0.060813108,-0.060930116,-0.061276954,-0.030828621,0.140367973,-0.285417817,0.425147427,5.94E-04,0.149573844,-0.036910864,-0.272295401,-0.039984165,-0.338875693,0.045130641,0.214370546,1.585619858,0.990808619,0.982070968,1.154807917,0.950392762,1.283624986,0.141695555,0.032463407,1.04922138,0.985479586,0.923548675,1.231022269,0.934551671,1.442019494,0.804221444,0,1.505949528,1.108973627,0.963453038,1.036983297,0.832607538,0.921688511,1.148282892,0,0.713221749,0.778666028,0.946070606,1.463378121,1.155576195,1.879569967,0.058263676,0,1.749688453,1.136031594,1.002127101,0.963449418,0.827121207,0.662351159,1.16679926,0,1.787392882,1.130464694,1.012472645,0.959610384,0.838553501,0.626839151,1.128215268,0,0.558937055,0.532193133,1.003748515,1.79625081,1.091440684,1.826380641,0.126929929,0,34.47366876,17.48683438,27.8070297,34.84866876,4.356083595,17.48683448,0.5,0.195053505,0.024381688,-1.307585099,36.93847344,4.61730918,2.887402919,34.48338656,17.49095886,27.81216891,34.85728493,4.357160616,17.49095895,0.498531158,0.194811762,0.02435147,-1.308577207,36.97333131,4.621666413,2.888157502,43.27507067,21.23854086,32.78067123,42.67657895,5.334572369,21.23854086,-0.797988956,0.020387579,0.002548447,-3.114263564,35.33945622,4.417432027,2.852000064,34.49358618,17.49528789,27.81756372,34.86632838,4.358291048,17.49528799,0.4969896,0.19455804,0.024319755,-1.309619804,37.01009303,4.626261628,2.888952528,52.84789475,25.34165311,38.92953403,51.22445335,6.403056669,25.34165311,-2.164588529,0.221788591,0.027723574,-1.204824514,55.57043694,6.946304618,3.21412108,35.4943641,17.92031623,28.35085899,35.75406538,4.469258172,17.92031629,0.346268372,0.169691374,0.021211422,-1.419019153,41.81040823,5.226301028,2.986516247,35.97183543,18.19586867,30.15178041,36.41085494,4.551356868,18.19586873,1.173809524,0.310021599,0.0387527,-0.936890647,27.59601412,3.449501765,2.654137077,0,11.99635523,15.99825889,-0.349587576,0.261212252,3.957525958,6.780780077,7,19,18,18,6,1,1,0,0,1,15.992484,3.537876413,3.170020439,2.697857494,2.371136574,1.721015064,1.22439422,1.085602512,0.083923071,1.840994912,1.517651122,1.370326076,0.97285049,0.621196255,0.401210562,0.083923071,0.083923071,3.472008622,3.094283232,2.68820384,2.320433142,1.74003561,1.322024143,0.634216704,0.270913902,1.801064878,1.524568069,1.291016274,0.926552561,0.566176758,0.377659035,0.270913902,0.270913902,3.63523993,3.32508598,2.95607712,2.619366856,2.129097359,1.793102774,1.255949895,0.943918427,1.602170137,1.24096815,0.959741911,0.568071822,0.111633135,0.149582939,0.943918427,0.943918427,3.474404722,3.078865987,2.710719651,2.326903773,1.771622734,1.396594448,0.465144215,0.399277246,1.786188222,1.525061983,1.239522867,0.902288896,0.522919663,0.291408631,0.399277246,0.399277246,3.668547429,3.364014037,3.050453384,2.695529253,2.259283092,1.982580949,1.209058028,1.207644823,1.557193468,1.200200868,0.864546982,0.488416367,0.008083644,0.329804131,1.207644823,1.207644823,4.8581135,3.386334447,3.279458795,2.795506864,2.118509674,1.826946331,1.528150951,0.590163934,1.711429301,1.228488219,1.022565563,0.632269872,0.226329472,0.175602849,0.590163934,0.590163934,0,0,1,0,0,1,3,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.49279928,0.348461713,0.288675135,0.100592232,0.071129449,0.058925565,6.405777394,3.808060412,2.655648531,1.747400241,0.756710003,0.49279928,0.144337567,0,0.800722174,0.54400863,0.379378362,0.291233373,0.189177501,0.164266427,0.144337567,0,5.437816924,2.877156753,1.679686004,0.962125132,0.423176335,0.216506351,0.072168784,0,0.679727116,0.411022393,0.239955143,0.160354189,0.105794084,0.072168784,0.072168784,0,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.3496,31.541,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,63,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.76180556,-0.104768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.459027778,0.5125,0,0,0,0,0,0,0,0,0,0,3.459259259,0,2.55037037,0,0,0,0,0,0,-0.104768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.34847222,4.413333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.413333333,-0.104768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2725,0.5125,0,0,0,0,0,0,0,0,0,0,1.414675926,0,0.5625,0,0,0,0,0,0,-0.104768519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.34847222,4.413333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.34847222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,2.044583333,0,1.050694444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.34847222,4.413333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.66666667,2.583333333,0.592361111,10.34847222,0.2725,-0.104768519,2.73845088,1.771435185,3.348472222,8.612777778,1.771435185,3.348472222,8.612777778,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.42308,0.53667,0.89167,0.11359,0,-0.11359,0,0.51402,0.20027,0,0.36364,0.13636,0,5.75,0.71875,4.25,0.53125,1.5,0.1875,-2.75,-0.34375,0,0,5.60474,0.70059,8.4771,2.87236,0.35905,2.68293,0.33537,3.80805,1.12513,0.14064,0.10595,0.01324,0.10595,0.01324,0,7.02,2,2,2,2,0,0,0.833333333,1.295461844,2.070950594,3.346439345,3.546439345,3.546439345,3.33034294,25.90923688,41.41901189,66.92878689,70.92878689,70.92878689,66.6068588,0.299741647,0.479172848,0.774293156,0.820568799,0.820568799,0.770568799,3.026466251,2.2509775,0.97548875,0.77548875,0.77548875,0.991585155,0.299741647,0.479172848,0.774293156,0.820568799,0.820568799,0.770568799,12.01211119,21.71746765,24.10215464,24.30371965,24.30371965,21.71056279,29.38046565,17.93632218,16.22221018,15.69343894,15.69343894,14.39686051,8,5.142857143,5,8,3,5,1.9,1.0284,0.166666667,2.249576847,0.707106781,0,2.381101578,1.650963624,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,3.358,7,6,4,3,1,0,0,0,0,36,2.197224577,2.302585093,2.197224577,1.791759469,1.609437912,0.693147181,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.666666667,0.25,0.16,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.041666667,0.04,0.018518519,0,0,0,0,0,0.409708995,19.76279831,30.51630347,39.52559662,4.940699578,19.76279832,0.082234184,0.010279273,-1.998547361,56.5944282,7.074303526,3.228728431,26.3,127.2763612,4,3.36729583,4.007333185,4.691347882,5.361292166,6.052089169,6.72982407,7.422373701,8.102586425,8.795582217,69.52972465,2.708050201,0,3.761200116,0,4.990432587,0,6.289715571,0,7.623153068,7.934871566,116.0837296,5.804186481,14.66013744,1.832517181,5.1060516,5.1060516,0,76,6,1.632,28,1.230631579,2.107673195,2.859055387,3.616071658,4.838164536,5.840062305,7.073539645,7.877375406,0,0,94.58963281,99.82155581,105.7335021,123.8528691,142.572044,112.1951945,48.97326296,8.003917565,0,0,279.0386343,316.0810647,368.754594,459.0242796,511.5456724,584.9137675,535.0392795,244.8583239,0,0,9.500427541,16.17938249,21.45586429,27.84860026,36.59642329,45.66402062,49.02721069,52.92386308,0,0,1.953218228,2.394720564,2.881442418,3.591752275,4.114840429,4.883662578,5.665225948,3.502382762,0,0,180.0610686,338.6270042,471.7892784,595.908366,820.8864407,1001.411937,1188.232392,1456.665764,0,0,3.698964912,6.17209819,7.325112696,10.233935,13.03662355,16.25982411,10.84109925,7.877375406,0,0,0.448387105,0.569263371,0.687828142,0.879873216,1.033050065,1.224112772,1.242746661,0.806643242,0,0,355.0165614,266.2241722,13.12167706,180.5634305,-135.4031193,-22.28271089,174.4531309,401.6272915,35.40438796,0.662863749,0.497076396,0.024499939,0.337136251,-0.252815866,-0.041604823,190.1397671,142.58434,7.027707696,96.70616062,-72.51920152,-11.93417412,0.348299358,0.425329574,2.234523202,7.619016224,478.3581724,57.22181944,0.893159154,0.106840846,585.9845906,24.20711859,8.368136041,702.2290236,26.49960422,8.888454598,955.6066687,30.91288839,9.849776829,2.417165256,2.417165256,692.5795107,640.051216,69.25769098,1.082068893,10.00003755,9.241590457,4.117114555,4.466158665,8.55760444,0.916099512,3.360032699,4.293028381,4.792292331,12.56268234,6.631361595,1.551831616,3.011158561,9.152542768,3.291608822,1.350421407,3.564836231,1.422437904,2.326983706,0.865084683,0.202466423,1.716146588,6.33E-09,5.38E-39,8.83E-91,2.79E-164,1.70E-259,0,0,0,0,0,0,0,0,0,0.298491782,4.443993512,0.46233507,3.875032781,0.273783997,1.072351495,0.407806532,0.443218613,2.141757678,0.082902404,2.033475618,0.049483718,0.174608832,0.006135767,0.016990752,0.012086961,4.46E-11,3.79E-41,6.22E-93,1.97E-166,1.20E-261,0,0,0,0,0,0,0,0,0,0.91615042,4.162911006,0.96359878,4.20574845,0.962918617,0.952486753,0.817731138,1.397788137,1.65374035,0.282612918,1.899994883,0.1993608,0.514037625,0.063543877,0.054848781,0.12595545,4.64E-10,3.95E-40,6.48E-92,2.05E-165,1.25E-260,0,0,0,0,0,0,0,0,0,3.176711882,4.44359216,5.515990118,12.56908593,6.275672087,1.777711597,3.127292194,8.808608591,3.8463379,1.263686588,3.969288836,1.30719882,2.15993589,0.770783663,0.191111201,1.529055713,5.64E-09,4.80E-39,7.87E-91,2.49E-164,1.52E-259,0,0,0,0,0,0,0,0,0,1.342655413,4.056109269,1.136347355,4.69732079,1.553605878,0.893448463,1.062123596,2.175748014,1.464978649,0.434254741,1.87245533,0.337170646,0.776695412,0.137966132,0.080837579,0.273592068,1.01E-09,8.58E-40,1.41E-91,4.45E-165,2.72E-260,0,0,0,0,0,0,0,0,0,4.057749124,4.38850086,6.717726121,16.78553502,9.178072843,1.900131662,3.852013332,12.65890384,4.225164046,1.741758296,4.34436557,1.960620932,2.985883235,1.261605186,0.244510305,2.502838512,9.23E-09,7.85E-39,1.29E-90,4.07E-164,2.49E-259,0,0,0,0,0,0,0,0,0,2.093644793,4.422614834,5.769106794,11.17229104,4.271280011,2.558679253,2.508138887,6.582336094,7.193357779,0.734274704,4.283001011,0.612245187,1.392942182,0.301372981,0.141031609,0.597722649,2.20E-09,1.87E-39,3.07E-91,9.73E-165,5.94E-260,0,0,0,0,0,0,0,0,0,7.289657472,0.742593322,0.414987615,0.862963387,0.087909597,0.544514367,0.510306568,0.499981437,8.447238409,8.746535559,19.44020607,0.794445081,1.554802371,5.686621568,0.529095171,0.072022644,0.904398421,0.084147122,0.331659653,0.261190461,0.015059888,6.287739383,3.456436366,9.960874889,0.856597631,0.607910001,6.398267095,0.543709836,0.210524282,0.8945496,0.076016742,0.419573336,0.274330077,0.128673169,7.152501212,4.940255457,12.8251287,0.841824399,0.822576582,7.162397608,0.750004846,0.391942828,0.862487934,0.090314747,0.525710905,0.52117991,0.445994038,8.304345282,8.473042312,18.88283898,0.793731901,1.492884853,6.746607283,0.572286878,0.281990891,0.887608119,0.075292137,0.466421831,0.30322226,0.230862698,7.600885052,5.924856303,14.61450672,0.831412178,1.000506789,7.379276047,0.773936064,0.437491478,0.858983897,0.090089951,0.557985208,0.554294348,0.555677491,8.590703589,9.278048678,20.36730454,0.788475845,1.667957046,7.178970891,0.757029895,0.395511045,0.86166485,0.090863448,0.528263702,0.532397609,0.454151592,8.331511831,8.573471548,19.05446551,0.792497275,1.514812904 +UMLYSI0367,L,methyl isobutyrate,CC(C)C(=O)OC,saturated esters,C5H10O2,547-63-7,11039,PubChem,,22.2,0,0.7455,0.55577025,27.075,17.07193,0,0,17,7,10,0,5,0,2,0,0,0,0,0,0,0,1243.417247,1130.35521,1383.841807,1325.040754,588.00605,148.333248,18.289152,0,0,2861.203507,3326.105375,4074.341527,4008.743386,2815.938428,1470.09063,559.5073998,0,0,131.590652,123.89952,216.519916,223.727536,246.085256,105.566976,120.932352,0,0,19.67703705,23.5201631,30.10520289,29.92597805,22.05501317,14.69637043,8.003032287,0,0,2854.050872,2371.638531,4597.229995,4670.223679,5308.101922,2392.223529,3328.517736,0,0,87.80555556,51.38888889,85.66666667,102.1666667,107,27,18,0,0,73.142191,70.64720063,49.42292168,45.69106048,19.60020167,9.8888832,1.016064,0,0,168.3060886,207.8815859,145.5121974,138.2325305,93.86461427,98.00604198,31.08374443,0,0,7.740626588,7.74372,7.732854143,7.714742621,8.202841867,7.0377984,6.718464,0,0,1.157472768,1.470010194,1.075185818,1.031930278,0.735167106,0.979758029,0.444612905,0,0,167.8853454,148.2274082,164.1867855,161.0421958,176.9367307,159.4815686,184.917652,0,0,5.16503268,3.211805556,3.05952381,3.522988506,3.566666667,1.8,1,0,0,0.264542299,-0.161241266,0.021148346,0.106715824,-0.117501333,-0.004211608,0.022818888,0,0,629.8202065,-12.09745997,168.9220628,-64.20906574,-572.3107065,-285.1831697,449.9682359,0,0,780.5766247,-146.4197851,185.9519761,-378.5905397,-56.95684458,-536.3430796,542.0699606,0,0,1.881607059,-0.015005232,0.597607903,-0.160408747,-2.004744457,0.120106007,0.521640997,0,0,3.424768994,-1.080059213,0.801235509,-2.668590195,1.787479987,-2.293065721,1.740615137,0,0,19.34959846,-6.628413839,4.57546903,-16.30100259,12.40769457,-12.18402931,8.455482906,0,0,36.61437908,-1.656670511,8.888408304,2.370242215,-36.92733564,-0.71366782,9.73183391,0,0,0.015561312,-0.010077579,7.55E-04,0.003679856,-0.003916711,-2.81E-04,0.001267716,0,0,37.04824744,-0.756091248,6.032930815,-2.214105715,-19.07702355,-19.01221131,24.99823533,0,0,45.91627204,-9.151236571,6.641142004,-13.0548462,-1.898561486,-35.75620531,30.11499781,0,0,0.110682768,-9.38E-04,0.021343139,-0.005531336,-0.066824815,0.008007067,0.028980055,0,0,0.201457,-0.067503701,0.028615554,-0.092020352,0.059582666,-0.152871048,0.096700841,0,0,1.138211674,-0.414275865,0.163409608,-0.562103538,0.413589819,-0.81226862,0.46974905,0,0,2.153787005,-0.103541907,0.317443154,0.08173249,-1.230911188,-0.047577855,0.540657439,0,0,-0.647604732,0.048536915,0.236474666,-0.251695434,-0.018043073,0.081465883,0,0,-0.020408287,0.162839843,-0.059762765,-0.514923778,-0.513174377,0.67474812,0,0,-0.199302691,0.144635915,-0.284318513,-0.041348337,-0.778726227,0.655867658,0,0,-0.008473107,0.192831637,-0.049974682,-0.603750849,0.072342491,0.261829875,0,0,-0.335077465,0.142042986,-0.456774159,0.295758729,-0.758827186,0.480007352,0,0,-0.363970845,0.143566976,-0.493847982,0.363368105,-0.713635819,0.412707988,0,0,-0.048074348,0.147388369,0.03794827,-0.571510175,-0.022090325,0.251026419,0,0,1.617504738,1.033784618,1.110946089,1.543663269,0.144778789,0.026385466,0,0,0.99899345,0.81456018,1.027100353,1.632302981,1.230228007,0,0,0,1.508256898,0.858481053,1.313281694,0.735257667,1.845834733,0,0,0,0.720275784,0.796568926,0.987233571,2.41106295,0.080666364,0,0,0,1.799320607,0.885941661,1.522381755,0.33480885,1.880744492,0,0,0,1.84360627,0.890698995,1.565380566,0.301448699,1.808215364,0,0,0,0.60313281,0.555987657,0.995986655,2.64255623,0.174794716,0,0,0,22.38977254,11.44488627,16.99983844,22.7469154,3.249559342,11.44492107,0.5,0.08744598,0.012492283,-1.705713831,22.14379885,3.163399835,2.168290247,22.39911033,11.44882074,17.00543989,22.75520401,3.25074343,11.44885539,0.498531158,0.087056295,0.012436614,-1.708840211,22.15827544,3.16546792,2.168747725,30.83565763,15.01883433,22.57513889,30.26566551,4.323666502,15.01883507,-0.797988956,0.191921446,0.027417349,-1.155468388,45.27681667,6.468116667,2.66895659,22.4089111,11.45295035,17.01132064,22.76390367,3.251986239,11.45298484,0.4969896,0.086647412,0.012378202,-1.712135692,22.17352609,3.167646584,2.169229341,39.97626287,18.90583717,29.25388465,38.43012821,5.490018316,18.90583718,-2.164588529,0.337622191,0.048231742,-0.760079451,22.64287145,3.234695921,2.183891553,23.37055661,11.85841249,17.59606585,23.61789116,3.373984452,11.85843446,0.346268372,0.047200453,0.006742922,-2.137346254,23.99454625,3.427792321,2.224478595,24.37048953,12.49107299,19.33752913,24.84130585,3.548757979,12.49108796,1.098571429,0.2656431,0.037949014,-0.927921121,18.07174633,2.581678048,2.02604482,0,11.99640053,15.99825848,-0.349399905,0.263788354,4.036119858,7.095128738,6,16,15,15,5,1,1,0,0,1,13.80607,3.558254358,2.941391517,2.491726046,2.333552793,1.190470968,1.072858919,0.083923071,0.083923071,1.799785596,1.428216237,1.249629723,0.84652386,0.264348958,0.083923071,0.083923071,0.083923071,3.472433173,2.85046942,2.405454588,2.39383797,1.211980661,0.634095789,0.270913902,0.270913902,1.780958673,1.405297616,1.134540686,0.923086165,0.211134644,0.270913902,0.270913902,0.270913902,3.639863612,3.137865756,2.704236987,2.697425731,1.6698388,1.255835685,0.943918427,0.943918427,1.580589349,1.061163973,0.76031856,0.582358791,0.316363373,0.943918427,0.943918427,0.943918427,3.464280132,2.838056669,2.457539916,2.379341251,1.261008177,0.465143439,0.399277246,0.399277246,1.779413136,1.388284017,1.058262671,0.942677157,0.139144578,0.399277246,0.399277246,0.399277246,3.661495587,3.196756147,2.838982085,2.744424992,1.835045658,1.209058028,1.207644823,1.207644823,1.54682937,0.996594548,0.631337262,0.536526663,0.474876785,1.207644823,1.207644823,1.207644823,4.660023908,3.275784747,3.158550919,2.587517045,1.896321128,1.421296726,0.555555556,0.555555556,1.662861677,1.100513747,0.920850378,0.477698649,0.217985533,0.555555556,0.555555556,0.555555556,0,0,1,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0.569035594,0,0.23570226,0,0.336787657,0,0.048112522,0,1.276142375,0.707106781,0.23570226,0.380039828,0.214076175,0.048112522,5.86180732,3.180739213,2.629549111,1.782021738,0.471404521,0,0,0,0.837401046,0.530123202,0.375649873,0.297003623,0.23570226,0,0,0,4.89384685,2.259872254,1.677860277,0.672588984,0.23570226,0,0,0,0.699120979,0.376645376,0.239694325,0.112098164,0.11785113,0,0,0,9.138737228,17.10050983,16.3254902,16.6,9.953251497,131.4503174,0.537572778,1.005912343,0.960322953,0.976470588,0.585485382,7.73237161,0.8154,26.854,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,36,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,1,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66203704,-0.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.249305556,0.5125,0,0,0,0,0,0,0,0,0,0,4.986111111,0,0,0,0,0,0.00462963,0,0,-0.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.28935185,4.372685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.372685185,-0.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368402778,0.5125,0,0,0,0,0,0,0,0,0,0,1.391203704,0,0,0,0,0,0.00462963,0,0,-0.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.28935185,4.372685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.28935185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,1.797453704,0,0,0,0,0,0.00462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.28935185,4.372685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.5,2.785714286,0.598958333,10.28935185,0.354166667,-0.152777778,2.177509259,1.819444444,3.289351852,8.324074074,1.819444444,3.289351852,8.324074074,3.16666,0.45238,0,0.04762,0.5549,0.91905,0.42174,0.5549,0.91905,0.13316,0,-0.13316,0,0.49223,0.22206,0,0.57895,0.31579,0,5.25,0.75,3.75,0.53571,1.5,0.21429,-2.25,-0.32143,0,0,4.69267,0.67038,7.55695,2.86428,0.40918,2.08147,0.29735,3.18073,1.09926,0.15704,0.23327,0.03332,0.23327,0.03332,0,6.02,2,2,2,2,0,0,0.8,1.332820405,2.015740432,2.777776811,2.777776811,2.537337821,1.816020849,22.65794688,34.26758735,47.22220579,47.22220579,43.13474295,30.87235443,0.326075235,0.49315199,0.679584603,0.679584603,0.620761073,0.444290485,2.754642437,2.071722409,1.30968603,1.30968603,1.55012502,2.271441992,0.326075235,0.49315199,0.679584603,0.679584603,0.620761073,0.444290485,12.49498498,21.16001527,21.92801461,21.92801461,19.04274672,8.465876578,25.89308809,17.03684232,17.28075429,17.28075429,15.83812035,10.54846255,7,3.06122449,2.666666667,7,3,3,1.79,0.8875,0.944940787,0,3.532775529,0,0,0,0,1,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.442,0.426,0.519,0.065,2.631,7,6,2,0,0,0,0,0,0,28,2.079441542,2.302585093,2.302585093,1.098612289,0,0,0,0,0,0,3.555348061,1.214285714,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,5,0.833333333,0,2,4,1,2,1.111111111,0.25,0,0,0,0,0,0,0,0.333333333,0.158730159,0.041666667,0,0,0,0,0,0,0,0.533730159,13.63462203,19.85726871,27.26924405,3.895606293,13.63462517,0.048608437,0.006944062,-2.116770706,32.00227291,4.571753273,2.42606485,26.3,109.9803765,3.807354922,3.295836866,3.970291914,4.691347882,5.398162702,6.120297419,6.834108739,7.556427969,8.272059622,8.994296558,68.13282967,2.564949357,0,3.713572067,0,5.056245805,0,6.463029457,0,7.890956716,8.168486417,102.0680796,6.00400468,12.50524286,1.786463266,5.038666444,5.038666444,0,46,6,0.787,26,1.2270625,2.095207271,2.894583365,3.52321422,4.67163558,5.104922683,0,0,0,0,96.90864932,115.5857239,139.6551594,76.86326703,46.91829202,5.186928161,0,0,0,0,275.0821314,330.4755461,415.1579483,354.789718,463.2868309,158.680112,0,0,0,0,9.573754286,16.34256345,22.41155987,28.77948802,32.90397954,34.29723927,0,0,0,0,1.899056374,2.390336146,3.062705574,2.759717271,4.620560058,2.269714503,0,0,0,0,180.4501068,340.16152,464.0044852,618.0460379,742.9727534,943.9903162,0,0,0,0,4.044145833,6.81941559,10.39212298,12.29572422,8.473954581,5.104922683,0,0,0,0,0.445526719,0.579710394,0.776102706,0.741614593,1.001574578,0.522744083,0,0,0,0,382.2301823,264.2152305,19.14840806,122.9680724,-85.0012351,-18.86984426,259.2621099,349.2164656,38.01825232,0.756594424,0.522993158,0.03790276,0.243405576,-0.168253224,-0.037351365,193.102021,133.4810733,9.673742332,62.12325555,-42.94247562,-9.533012389,0.381581,0.461125919,10.40418024,5.738833731,423.0819806,82.11627414,0.837457328,0.162542672,523.9030215,22.88892792,8.061520593,620.7733823,24.91532425,8.530563018,878.785576,29.64431777,9.578429491,1.354972675,1.221238092,331.8338481,255.389518,108.6841645,1.299324462,3.053194083,2.349831911,3.592443368,3.222561645,6.153310547,0.909446963,2.802231592,3.344489696,5.546013194,6.070438004,3.872421177,5.012569276,2.780146484,3.611235616,1.628230194,0.681157651,0.622347122,1.04E-05,1.07E-31,2.23E-79,9.30E-149,7.67E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2516794,3.495518159,0.533473363,3.790889656,0.233664675,1.956257476,0.733100313,0.298277135,0.083965796,0.056963752,0.004383242,7.33E-08,7.57E-34,1.57E-81,6.55E-151,5.40E-242,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765034346,3.214431342,1.062071595,3.821389338,0.740721729,1.84222362,0.913410555,0.92352575,0.305631858,0.18401844,0.045676758,7.64E-07,7.88E-33,1.64E-80,6.82E-150,5.63E-241,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650193139,3.495060401,6.480776598,6.41850665,3.699385184,5.50943352,2.660457626,3.398724481,1.50059611,0.642818796,0.554500081,9.28E-06,9.57E-32,1.99E-79,8.28E-149,6.83E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.119938123,3.107624088,1.212684274,3.910943381,1.126027391,1.865448397,1.084984153,1.365765085,0.485575955,0.27134338,0.099216021,1.66E-06,1.71E-32,3.56E-80,1.48E-149,1.22E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.384123505,3.439933073,7.893154057,7.010656222,5.129801295,6.58896208,3.673776973,4.45160649,2.138379014,0.823252409,0.907634789,1.52E-05,1.57E-31,3.26E-79,1.36E-148,1.12E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.711826294,3.199791866,6.829006853,7.292906795,2.312251836,7.633304885,2.033611988,2.164920276,0.793340773,0.419660394,0.192082445,3.21E-06,3.32E-32,6.90E-80,2.87E-149,2.37E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.776472421,1.265404197,0.472003714,0.684902862,0.229494316,0.544789426,0.481034806,0.422936711,5.513880331,7.158548538,14.92802325,0.527354293,1.448760943,2.408093157,0.933992309,0.158537732,0.687904131,0.266807439,0.223799534,0.265761988,0.039747216,3.500623198,2.778987137,6.636183966,0.531856196,0.529308738,3.065476099,1.008012054,0.280936138,0.703991135,0.231491464,0.359765378,0.304102948,0.145542165,4.354424291,4.23442689,9.456954202,0.555986702,0.809410491,3.642927822,1.254337102,0.455287485,0.680596385,0.234343731,0.507287466,0.470551755,0.387222816,5.352552409,6.799122956,14.2320931,0.520894578,1.365062037,3.38320662,1.071118915,0.3401318,0.705649541,0.223407748,0.437472872,0.34564443,0.220243554,4.794457336,5.138874368,11.16590697,0.558474312,1.003360856,3.838160005,1.299618591,0.494656433,0.681438842,0.230738319,0.562706836,0.506974841,0.463864285,5.632435029,7.529579333,15.62943193,0.522158263,1.533545962,3.665903494,1.272241663,0.458577793,0.679283248,0.235743371,0.514226493,0.485122147,0.393570712,5.396722949,6.928438862,14.46392973,0.518924872,1.392919352 +UMLYSI0368,L,2-methoxytetrahydropyran,COC1CCCCO1,cyclic saturated ethers,C6H12O2,6581-66-4,23057,PubChem,,22.1,0,-0.9261,0.85766121,25.5594,20.165516,0,0,20,8,12,0,6,0,2,0,0,0,0,0,0,0,1389.713496,1490.997496,1855.388285,1530.362751,786.361175,309.781753,72.728208,6.096384,0,3346.887898,4281.825012,5754.894663,5473.982014,3730.981544,2107.91526,946.688015,186.5024666,0,152.568096,155.709184,301.247852,341.759964,296.543972,178.28074,116.209728,40.310784,0,23.35516286,29.87549172,42.16455489,43.20104616,31.76177717,20.32923393,10.90307641,2.667677429,0,3350.680532,2958.021311,6167.004768,7449.915029,6684.825884,4247.400211,2984.624563,1109.505912,0,51.27777778,49.66666667,92.83333333,91.33333333,76.41666667,39,20.5,6,0,69.4856748,74.5498748,48.8260075,34.00806113,20.16310705,12.39127012,4.278129882,1.016064,0,167.3443949,214.0912506,151.4445964,121.6440448,95.66619344,84.3166104,55.6875303,31.08374443,0,7.6284048,7.7854592,7.927575053,7.594665867,7.60369159,7.1312296,6.835866353,6.718464,0,1.167758143,1.493774586,1.10959355,0.960023248,0.814404543,0.813169357,0.641357436,0.444612905,0,167.5340266,147.9010655,162.2895992,165.5536673,171.4057919,169.8960084,175.5661508,184.917652,0,2.563888889,2.483333333,2.442982456,2.02962963,1.959401709,1.56,1.205882353,1,0,0.310719728,-0.120970258,-0.00402166,7.87E-04,-0.07240528,0.007932186,0.024121985,0.009196013,0,715.056216,49.475128,-141.866755,-138.589281,-311.774809,-80.620391,127.608,138.24,0,931.2646053,-112.5670316,-133.9875044,-226.4613017,-145.0062685,-115.7411315,92.21261637,175.9183187,0,1.9334688,0.0029056,0.02031248,-0.5051376,-0.90068656,-9.73E-04,0.27748992,0.13935456,0,4.097118945,-1.195625211,-0.128498428,-1.24665075,0.21701136,-0.392026636,0.103833604,0.593396589,0,23.01673804,-7.727105002,0.160752698,-7.421803141,2.303547496,-1.899647028,0.14023387,2.935652089,0,11.13888889,0.083333333,-0.430555556,-1.340277778,-5.631944444,-0.784722222,1.493055556,1.041666667,0,0.015535986,-0.006048513,-1.06E-04,1.75E-05,-0.001856546,3.17E-04,0.00141894,0.001532669,0,35.7528108,2.4737564,-3.733335658,-3.0797618,-7.994225872,-3.22481564,7.506352941,23.04,0,46.56323026,-5.628351581,-3.525986957,-5.03247337,-3.718109449,-4.629645262,5.424271551,29.31971978,0,0.09667344,1.45E-04,5.35E-04,-0.01122528,-0.023094527,-3.89E-05,0.016322936,0.02322576,0,0.204855947,-0.059781261,-0.003381538,-0.02770335,0.005564394,-0.015681065,0.006107859,0.098899431,0,1.150836902,-0.38635525,0.004230334,-0.164928959,0.05906532,-0.075985881,0.008249051,0.489275348,0,0.556944444,0.004166667,-0.011330409,-0.029783951,-0.144408832,-0.031388889,0.087826797,0.173611111,0,-0.389322747,-0.006812129,0.001125916,-0.119499695,0.020422742,0.091332489,0.098652813,0,0.069190543,-0.104420759,-0.086140411,-0.22359713,-0.090197542,0.209951407,0.644424857,0,-0.120875454,-0.075724707,-0.10807827,-0.079850763,-0.099427064,0.116492596,0.629675382,0,0.001502791,0.005529326,-0.11611545,-0.238892163,-4.03E-04,0.168846133,0.240249649,0,-0.291820967,-0.016506905,-0.135233321,0.027162472,-0.076546791,0.029815386,0.482775496,0,-0.335716772,0.003675876,-0.143312192,0.051323798,-0.066026629,0.007167872,0.425147427,0,0.007481297,-0.020343877,-0.053477418,-0.259287678,-0.056359102,0.157694,0.311720698,0,1.373381193,1.407945691,1.076361098,1.262024738,0.420660545,0.044297884,0.017608008,0,1.007325171,1.201588441,1.060251049,1.189328629,0.882232308,0.473071438,0,0,1.448222912,1.091093773,1.063364827,0.912091103,0.98672717,0.675460524,0,0,0.880108745,1.38663215,1.145576926,1.418557022,0.489939243,0.034272751,0,0,1.749552337,1.066884013,1.094377025,0.772606174,0.936830452,0.686352506,0,0,1.812744876,1.071864923,1.106542951,0.753154545,0.902584908,0.66365604,0,0,0.886034913,1.340399002,1.067137711,1.420838928,0.622593516,0.137963914,0,0,28.55141925,14.3019422,21.42506802,28.80141925,3.600177406,14.30194494,0.5,0.028158826,0.003519853,-2.85591556,54.09157755,6.761447194,3.192542793,28.5636255,14.30807359,21.43370729,28.81289108,3.601611385,14.30807631,0.498531158,0.027779208,0.003472401,-2.866773959,54.19624925,6.774531157,3.194089363,41.10230052,19.93854654,30.00140919,40.70330604,5.087913256,19.93854655,-0.797988956,0.173038022,0.021629753,-1.403395144,52.51811577,6.564764471,3.168926538,28.57643912,14.31450932,21.44277794,28.82493392,3.60311674,14.31451203,0.4969896,0.027381259,0.003422657,-2.878317196,54.30743034,6.788428792,3.195728845,55.86970786,26.15195884,39.99787341,54.78741359,6.848426699,26.15195884,-2.164588529,0.243034244,0.030379281,-1.131642338,66.04490815,8.255613519,3.35226795,29.84401909,14.94755232,22.34715013,30.01715328,3.75214416,14.9475537,0.346268372,0.009265865,0.001158233,-3.745134448,88.21845165,11.02730646,3.583852915,26.68581187,13.0438974,20.2153589,26.9404415,3.367555187,13.0439099,1.018518519,0.226201389,0.028275174,-1.189063661,52.34169664,6.54271208,3.16623465,0,11.99683527,15.99778452,-0.37588663,0.157224373,4.499933379,6.866016372,8,20,20,20,8,0,0,0,0,0,16.950484,3.592899277,3.023167928,2.682938517,2.487861884,1.516371,1.276819443,0.938150615,0.478689516,1.876606117,1.458881908,1.30386876,1.060965097,0.60224507,0.526734859,0.083923071,0.083923071,3.534736037,2.942297341,2.672294209,2.444151803,1.548919741,1.342479555,0.588813384,0.406517044,1.864690565,1.439538977,1.218931516,1.03252079,0.474530004,0.39491564,0.270913902,0.270913902,3.705800059,3.195406399,2.907061263,2.73089382,1.954435856,1.80851773,1.214609188,1.05609234,1.659533685,1.127873029,0.918327973,0.682932166,0.00739268,0.133293642,0.943918427,0.943918427,3.533194472,2.936960638,2.693047009,2.448839401,1.60251892,1.412620581,0.456783088,0.423152548,1.85962074,1.425250285,1.167078481,1.006088996,0.391793592,0.301142049,0.399277246,0.399277246,3.738138859,3.247586467,2.994210108,2.807302592,2.111738032,1.993828125,1.208876915,1.208153906,1.620285634,1.06975048,0.829341698,0.606961566,0.16486276,0.316282697,1.207644823,1.207644823,3.868017456,3.397222556,2.955778575,2.750694314,1.956045375,1.689246314,1.524032483,1.058444669,1.717993508,1.154692582,0.951776322,0.739984436,0.196295195,0.081596839,0.642857143,0.642857143,0,0,0,0,0,2,3,0,0,0,0,0,0.102062073,0.072168784,0,0,0,0.058925565,0.024056261,0.204124145,0,0,0,0.068041382,0,0,0,0.49279928,0.594861352,0.49279928,0.164266427,0.198287117,0.164266427,5.819990956,3.931851653,2.912284135,2.302095141,1.595387957,1.105171716,0.348461713,0.144337567,0.72749887,0.491481457,0.323587126,0.230209514,0.159538796,0.110517172,0.087115428,0.072168784,5.222273975,3.076576236,2.031833366,1.400799327,0.897071341,0.577945502,0.141058778,0.048112522,0.652784247,0.38457203,0.225759263,0.140079933,0.089707134,0.05779455,0.035264695,0.024056261,10.68056503,19.98834669,19.05098039,19.36,11.75180599,154.4785725,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,1.1594,30.6,31.31133518,44.10503795,62.62267036,7.827833795,31.31133518,0.106803074,0.013350384,-1.789414855,44.79741067,5.599676333,3.041720272,60,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,1,0,4,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.17375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.310833333,0,0,0,0,0,0,0,0,0,0,0,1.690462963,0,4.382314815,0,0,0,0.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.17375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.968888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.325,0,0,0,0,0,0,0,0,0,0,0,1.690462963,0,0.873518519,0,0,0,0.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.968888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.204861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.7,0,0,0,0,0,0,0,0,0,0,0,1.690462963,0,1.248518519,0,0,0,0.086805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.204861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.33333333,2.041666667,0.7,5.204861111,0.152777778,0.086805556,2.879448102,1.246527778,1.704861111,6.3475,1.246527778,1.704861111,6.3475,3.66666,0.45833,0,0.04167,0.53667,0.89167,0.43333,0.53667,0.89167,0.10333,0,-0.10333,0,0.51402,0.20027,0,0.13636,0.13636,0,5,0.625,5,0.625,0,0,-5,-0.625,0,0,5.96045,0.74506,8.02289,2.06244,0.2578,2.95521,0.3694,3.93185,0.97664,0.12208,-0.01785,-0.00223,0.06815,0.00852,0.3,8.02,2,2,2,2,0,0,1,1.295461844,1.833206219,3.20869497,3.68418372,3.68418372,3.68418372,25.90923688,36.66412439,64.17389939,73.6836744,73.6836744,73.6836744,0.299741647,0.424163979,0.742422109,0.852439846,0.852439846,0.852439846,3.026466251,2.488721876,1.113233125,0.637744375,0.637744375,0.637744375,0.299741647,0.424163979,0.742422109,0.852439846,0.852439846,0.852439846,12.01211119,18.46504369,23.96333241,24.44254188,24.44254188,24.44254188,29.38046565,21.90077962,16.47566766,15.34228644,15.34228644,15.34228644,6.125,3.111111111,1.8,2,0,0,1.9,0.9628,0,1.016265496,0.5,0,3.965406457,2.149139864,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0.003,0.631,0.64,0.608,0.26,3.615,9,10,10,10,4,2,0,0,0,61,2.197224577,2.302585093,2.397895273,2.397895273,2.397895273,1.609437912,1.098612289,0,0,0,4.127134385,1,0.4,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0.125,2,0.25,0,3,5,0.666666667,1,0.444444444,0.1875,0.151111111,0.0625,0,0,0,0,0,0.125,0.049382716,0.026785714,0.05037037,0.0625,0,0,0,0,0,0.314038801,16.42728991,24.53917988,32.85457982,4.106822477,16.4272902,0.077557615,0.009694702,-2.045387364,52.85447578,6.606809472,3.174033918,18.46,117.5563612,4,3.555348061,4.290459441,5.043425117,5.796057751,6.555356892,7.311218384,8.07184315,8.82834762,9.589256145,75.04131256,2.833213344,0,3.970291914,0,5.342334252,0,6.803505258,0,8.298290634,8.556606194,116.0837296,5.804186481,15.69266546,1.961583183,5.747252373,5.747252373,0,64,7,0.868,34,1.280204951,2.214915687,3.04146677,3.718807046,4.241969384,4.346049459,4.336191668,0,0,0,109.7564664,120.9759361,107.9026885,76.61782913,50.28584589,17.84503339,4.405848251,0,0,0,302.3880892,363.5551591,382.2934946,359.0365481,348.3643623,236.3795732,134.7850736,0,0,0,10.06453132,17.61743239,23.22411116,28.21622913,30.2788388,29.6820951,29.13254762,0,0,0,2.048367677,2.613810815,2.989394139,3.053644248,3.378426805,2.742261297,1.927926774,0,0,0,187.2892938,354.7455825,500.9465872,636.3027733,723.4511871,765.1632987,801.8383821,0,0,0,3.307419872,5.52110637,6.28484184,7.251769751,6.623379459,5.202242481,4.336191668,0,0,0,0.481802509,0.641392978,0.73385577,0.75354804,0.768323115,0.611643494,0.444026027,0,0,0,307.3208363,241.2750382,13.8270955,67.32721036,-52.85803413,-15.73278039,239.9936259,294.1330724,29.55987588,0.820292109,0.644004527,0.036906893,0.179707891,-0.141087174,-0.041993494,115.137151,90.39322177,5.180294319,25.22400785,-19.80315924,-5.89425544,0.200202745,0.452916642,0.151106552,13.96913153,332.3854115,42.26263515,0.887193766,0.112806234,608.3096682,24.66393457,8.473085192,724.5541012,26.91754263,8.981666801,1033.90035,32.15432086,10.11174776,1.300810045,1.300810045,385.0115007,310.069586,149.3676409,1.241693859,2.577609837,2.075881925,3.760674866,3.860432452,6.390920209,0.655493339,3.346807952,3.724548174,7.766165867,11.44465776,14.59207888,12.77700232,9.863321992,7.082145771,2.531667128,2.36716267,0.999844676,0.304269921,7.74E-17,3.80E-54,3.59E-113,6.55E-194,2.31E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,0.280876032,3.486654518,1.065385401,2.831039918,3.97269745,1.766637429,2.212584525,1.119546851,0.202824224,0.099186265,0.007041988,0.002142998,5.45E-19,2.67E-56,2.53E-115,4.61E-196,1.62E-298,0,0,0,0,0,0,0,0,0,0,0,0,0,0.906697381,2.784898404,1.770920104,3.673686231,5.132632566,3.241483615,2.485205214,1.650412157,0.457790826,0.385731131,0.073382942,0.022331691,5.68E-18,2.79E-55,2.64E-114,4.81E-195,1.69E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,3.159114203,4.318930655,9.004095512,10.8202342,14.48922114,12.49526888,10.00737656,6.49394767,2.783129232,2.165915225,0.890843606,0.271099022,6.89E-17,3.38E-54,3.20E-113,5.84E-194,2.05E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336304366,2.494196761,2.015165202,4.535509633,6.075110172,4.320180323,2.944951873,2.213622615,0.578586795,0.634811253,0.159397557,0.048507416,1.23E-17,6.05E-55,5.72E-114,1.04E-194,3.68E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041755299,4.318524621,10.75192474,14.67032019,18.56797816,16.73770389,13.25854045,9.613206423,3.558289747,3.183146062,1.458179493,0.443749084,1.13E-16,5.54E-54,5.24E-113,9.56E-194,3.36E-296,0,0,0,0,0,0,0,0,0,0,0,0,0,2.228361247,5.498107033,9.467833615,7.228537204,11.43539101,9.371678533,8.43593732,4.033846592,2.653642621,1.215707727,0.413201116,0.125744202,3.20E-17,1.57E-54,1.48E-113,2.71E-194,9.53E-297,0,0,0,0,0,0,0,0,0,0,0,0,0,3.022918229,1.571172556,0.736790393,0.567057889,0.294730365,0.478662494,0.47573018,0.399501115,5.330881179,8.13440812,16.96469455,0.350586834,1.353893789,2.432038055,0.972216905,0.336467924,0.65015189,0.259900809,0.341031904,0.177282255,0.076720388,3.740722885,3.509891112,8.046181808,0.475227836,0.595034547,2.630539966,1.258064354,0.486478737,0.601254864,0.287552108,0.371599472,0.303770436,0.170981776,4.375083056,5.201111878,11.1861421,0.401882295,0.846351684,2.984084788,1.526364904,0.715939234,0.57096493,0.292049621,0.469712186,0.448576009,0.375280972,5.226388927,7.784010191,16.27136078,0.356447395,1.293569167,2.755834218,1.384258441,0.564629906,0.585759135,0.294227433,0.40014308,0.369231036,0.233391719,4.704722565,6.152406906,13.01107217,0.378638702,1.002765835,3.068680614,1.601917617,0.766506719,0.56439606,0.294626944,0.493031729,0.494507489,0.432586575,5.437104949,8.495818458,17.70089685,0.346594091,1.420125793,3.006752093,1.543332389,0.723088531,0.570197884,0.292676228,0.475005302,0.458849484,0.38397167,5.273173013,7.930531794,16.55913776,0.355296826,1.317826456 +UMLYSI0369,L,1-butanol,CCCCO,saturated alcohols,C4H10O,71-36-3,263,PubChem,,22,0,-0.9734,0.94750756,18.9987,14.50993,0,0,15,5,10,0,4,0,1,0,0,0,0,0,0,0,843.185125,750.047136,688.541831,506.009998,309.253269,68.616576,3.048192,0,0,2221.295828,2687.923385,3106.605663,2534.97974,1528.181395,609.4474637,93.25123329,0,0,110.69842,106.185288,184.014884,215.18848,152.30358,89.278848,20.155392,0,0,16.24493305,20.26270678,26.24397374,23.44702555,14.42549669,6.274751507,1.333838715,0,0,2541.80523,2097.013603,4030.522174,5140.414147,3661.458992,2188.016594,554.7529561,0,0,56.75,37.5,54.25,56,46,28,3,0,0,56.21234167,53.57479543,27.54167324,16.86699993,14.72634614,5.718048,1.016064,0,0,148.0863886,191.9945275,124.2642265,84.49932466,72.77054261,50.78728864,31.08374443,0,0,7.379894667,7.584663429,7.36059536,7.172949333,7.252551429,7.439904,6.718464,0,0,1.082995537,1.447336198,1.04975895,0.781567518,0.686928414,0.522895959,0.444612905,0,0,169.453682,149.7866859,161.220887,171.3471382,174.3551901,182.3347162,184.917652,0,0,3.783333333,2.678571429,2.17,1.866666667,2.19047619,2.333333333,1,0,0,0.221463872,-0.100613777,-0.030158905,0.016432609,0.011322932,-0.022190869,0.014476074,0,0,476.9038497,-65.66428988,-205.3403696,10.64104747,10.00488171,-34.51124805,46.41805345,0,0,665.1575892,-80.97945498,-321.9485115,-25.78042202,-27.158369,59.52809795,63.75986495,0,0,1.034995733,-0.103350151,-0.159895289,-0.017675733,-0.050654293,-0.223464853,0.037542453,0,0,2.896898448,-0.288018268,-1.322907936,-0.282437247,-0.312574207,0.528072509,0.229415925,0,0,16.06108614,-1.477481838,-7.038127154,-1.840667446,-2.063026849,3.227370407,1.161389809,0,0,23,-3,-3.5,-1,0.25,-5,0.75,0,0,0.014764258,-0.007186698,-0.001206356,5.48E-04,5.39E-04,-0.001849239,0.004825358,0,0,31.79358998,-4.69030642,-8.213614782,0.354701582,0.476422938,-2.875937338,15.47268448,0,0,44.34383928,-5.784246784,-12.87794046,-0.859347401,-1.293255667,4.960674829,21.25328832,0,0,0.068999716,-0.007382154,-0.006395812,-5.89E-04,-0.002412109,-0.018622071,0.012514151,0,0,0.193126563,-0.020572733,-0.052916317,-0.009414575,-0.014884486,0.044006042,0.076471975,0,0,1.070739076,-0.105534417,-0.281525086,-0.061355582,-0.098239374,0.268947534,0.387129936,0,0,1.533333333,-0.214285714,-0.14,-0.033333333,0.011904762,-0.416666667,0.25,0,0,-0.486763256,-0.081707878,0.037099977,0.036519765,-0.125251064,0.326826979,0,0,-0.147523649,-0.258341848,0.011156387,0.014984874,-0.090456515,0.486660503,0,0,-0.130440821,-0.290411039,-0.019379184,-0.029164269,0.111868411,0.479283902,0,0,-0.106988175,-0.092693303,-0.008539037,-0.034958249,-0.269886201,0.181365257,0,0,-0.106524618,-0.273998131,-0.048748213,-0.077071149,0.227861158,0.395968186,0,0,-0.098562217,-0.262925948,-0.057302085,-0.091749125,0.251179339,0.361553944,0,0,-0.139751553,-0.091304348,-0.02173913,0.007763975,-0.27173913,0.163043478,0,0,1.375356834,0.821897727,0.682609768,0.955591794,1.778836743,1.101933178,0,0,1.394650417,1.268349503,0.82002349,0.832984371,0.972731675,0,0,0,1.611680217,1.411508446,0.860363598,0.777814511,0.416979426,0,0,0,1.046261318,0.923104559,0.747867302,1.037829721,1.920357031,0,0,0,1.696559902,1.438220674,0.874263773,0.785729024,0.213701818,0,0,0,1.704790797,1.431225051,0.874997207,0.796152674,0.198598347,0,0,0,1.086956522,0.919130435,0.755797101,1,1.927536232,0,0,0,15.58105062,7.915525311,12.90613438,15.73105062,3.146210125,7.916384149,0.25,0.042274287,0.008454857,-1.581788125,20.35201016,4.070402032,1.506589843,15.5839676,7.916616588,12.90787342,15.73352694,3.146705389,7.91747431,0.249265579,0.042152822,0.008430564,-1.583226827,20.37612714,4.075225429,1.507181989,18.17335956,8.88718254,14.62523348,17.93396287,3.586792574,8.887473149,-0.398994478,0.067863368,0.013572674,-1.345129442,18.45809032,3.691618063,1.457751387,15.58702903,7.917761913,12.90969902,15.73612591,3.147225181,7.918618465,0.2484948,0.042025321,0.008405064,-1.58474148,20.4015556,4.08031112,1.507805576,20.92491722,9.921311478,16.81537439,20.27554066,4.055108132,9.921410763,-1.082294264,0.165794853,0.033158971,-0.89850204,16.8959111,3.379182221,1.413535823,15.88658753,8.029860858,13.0905476,15.99046804,3.198093608,8.030611345,0.173134186,0.029457388,0.005891478,-1.762405261,23.67108217,4.734216433,1.582127071,15.0798354,7.873251034,13.0596608,15.4798354,3.09596708,7.87430683,0.666666667,0.07956853,0.015913706,-1.265568308,15.27104498,3.054208996,1.362979275,0,11.99646149,15.99794197,-0.421714133,0.069647739,3.787719458,5.991011473,4,14,14,14,4,0,0,0,0,0,10.93207,3.373406743,2.825330819,2.096684625,1.461330604,1.128640555,0.083923071,0.083923071,0.083923071,1.817379449,1.40522295,0.924562135,0.599915497,0.386668987,0.083923071,0.083923071,0.083923071,3.379324769,2.790711346,2.051643082,1.457496366,1.156467033,0.270913902,0.270913902,0.270913902,1.763125472,1.353771324,0.851363369,0.484188864,0.313824953,0.270913902,0.270913902,0.270913902,3.540932969,3.055207466,2.435249073,1.941863579,1.712950339,0.943918427,0.943918427,0.943918427,1.547645076,1.030923922,0.407980321,0.049432259,0.301168549,0.943918427,0.943918427,0.943918427,3.397390649,2.806465896,2.075989672,1.507823945,1.189855004,0.399277246,0.399277246,0.399277246,1.729770649,1.322120441,0.80419374,0.410376,0.234438588,0.399277246,0.399277246,0.399277246,3.602427822,3.132201332,2.547487102,2.101334039,1.896289791,1.207644823,1.207644823,1.207644823,1.486825757,0.948908366,0.287628636,0.218036002,0.473196859,1.207644823,1.207644823,1.207644823,4.359181399,3.353072127,2.656208105,1.931392827,1.528813409,0.615384615,0.615384615,0.615384615,1.6342312,1.07411322,0.517367472,0.165020013,0.331294806,0.615384615,0.615384615,0.615384615,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,3.568533939,2.023334547,1.077160188,0.511667274,0.158113883,0,0,0,0.713706788,0.505833637,0.359053396,0.255833637,0.158113883,0,0,0,7.423938123,14.76984705,13.97647059,14.2,8.473011976,116.5531018,0.494929208,0.98465647,0.931764706,0.946666667,0.564867465,7.770206786,0.7788,21.9938,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,1,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.736388889,0,8.06625,0,0,0,0,0,0,0,0,0,0,0.736388889,0,0,0,0,0,0,0,0,0,0,0,0,0,1.263611111,0,0,0,0,0,0,0,0,0,0,0,2.051805556,0,2.381944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.06625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.736388889,0,8.06625,0,0,0,0,0,0,0,0,0,0,0.736388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.24,0,0,0,0,0,0,0,0,0,0,0,2.051805556,0,0.34375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.06625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.736388889,0,8.06625,0,0,0,0,0,0,0,0,0,0,0.736388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.051805556,0,1.09375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.06625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.5,2.5,0.736388889,8.06625,0.24,0.34375,2.034477222,1.15625,2.06625,4.236111111,1.15625,2.06625,4.236111111,2.33333,0.46667,0,0.03333,0.48444,0.85333,0.41765,0.48444,0.76111,0.0668,0,-0.0668,0.09222,0.54687,0.16742,0,0.35714,0,0,2.25,0.45,2.25,0.45,0,0,-2.25,-0.45,0,0,3.42343,0.68469,4.09272,0.66929,0.13386,2.07596,0.41519,2.41421,0.33826,0.06765,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4.01,1,1,1,1,1,1,1,1.158938532,1.871602261,2.923231429,3.056564762,2.605788524,2.020934564,17.38407799,28.07403392,43.84847143,45.84847143,39.08682786,30.31401845,0.296639618,0.479051618,0.748224543,0.782352279,0.666972484,0.517274419,2.747952063,2.035288334,0.983659167,0.850325833,1.301102071,1.885956032,0.304394667,0.491575464,0.767785376,0.802805314,0.684409144,0.530797523,10.66110191,15.77621224,18.30169377,16.97044711,15.11875186,8.8032914,18.1875248,14.100286,12.79750363,13.83934112,11.22434889,6.850389104,5,4,4,5,0,4,1.79,0.7309,0,1.650963624,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.385,0.375,0.449,0.205,2.62,3,2,1,0,0,0,0,0,0,15,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,0,0,2.772588722,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.5,4,1,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,20.23,86.5306239,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,74.07316494,4.938210996,8.849873734,1.769974747,2.362436867,2.362436867,0,20,2,0.851,14,1.209285714,2.097852699,2.802889813,3.435509375,4.700723838,4.960986366,0,0,0,0,76.07321488,64.49502832,57.54419705,66.53786126,28.81132937,5.040679651,0,0,0,0,256.146358,277.922541,256.3916296,288.2198231,244.9540464,154.2060323,0,0,0,0,9.195663069,15.50174037,20.19157947,25.37015006,35.33531078,33.3302083,0,0,0,0,1.87702597,2.303263075,2.285379279,2.562517652,2.465664944,2.205718559,0,0,0,0,178.755922,335.1714249,477.8660488,590.3531373,857.3437606,917.3739505,0,0,0,0,3.313392857,4.682994383,5.467251177,8.673297838,11.62481735,4.960986366,0,0,0,0,0.417144579,0.524334944,0.536461801,0.64135583,0.668289869,0.508005004,0,0,0,0,323.6297928,176.355474,16.30006711,167.566408,-91.31190632,-22.58662632,156.0633847,267.6673803,38.88669344,0.658860537,0.359032651,0.033184432,0.341139463,-0.185897013,-0.045982901,158.9657247,86.62513883,8.006531038,82.30798301,-44.85206147,-11.09446504,0.384863517,0.726159519,13.29882006,27.31854242,419.0209812,72.1752196,0.853062342,0.146937658,283.9246063,16.8500625,6.572556742,389.1388631,19.72660293,7.300762184,396.9481567,19.92355783,7.34927666,1.902541647,1.902541647,257.2527102,241.6123145,28.99894346,1.064733438,8.871106305,8.331762665,3.213164655,3.220194404,5.518792456,0.713807231,3.224442391,3.228352994,3.300854476,9.519065378,3.396591357,0.093761667,2.839393096,4.428327212,0.957153261,2.036328689,1.76E-10,3.08E-42,1.04E-95,6.80E-171,8.56E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290510157,3.355246562,0.300972894,2.297657719,0.025975326,0.023726242,0.34105391,0.194190715,0.133717689,0.216562637,1.96E-11,3.44E-43,1.16E-96,7.60E-172,9.57E-269,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.81835312,3.119021011,0.71493495,2.770282347,0.254564647,0.018976335,0.636498796,0.73049226,0.131717498,0.381618839,3.40E-11,5.96E-43,2.02E-96,1.32E-171,1.66E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.266568655,3.354890369,3.606201414,8.970129942,3.027715508,0.091348411,3.300700798,4.083943143,0.894944248,2.51910812,2.21E-10,3.87E-42,1.31E-95,8.54E-171,1.07E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.139201109,3.029262083,0.916235511,3.350983291,0.547896848,0.021814432,0.728049073,1.188207541,0.183336436,0.387045622,3.37E-11,5.91E-43,2.00E-96,1.30E-171,1.64E-268,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.074611356,3.308579144,4.464332488,12.82309986,4.946913721,0.131044127,3.950430227,5.95734363,1.372053915,2.973853707,2.56E-10,4.50E-42,1.52E-95,9.93E-171,1.25E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.20739713,3.998451051,4.605003377,6.304014578,1.291534239,0.088302127,5.048163791,2.26515694,0.761689797,4.426730606,3.99E-10,7.00E-42,2.37E-95,1.54E-170,1.94E-267,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.104441872,0.78641944,0.44182761,0.716516216,0.181508401,0.576245927,0.594575939,0.533317806,4.332688922,4.160483392,9.571847342,0.574774324,1.704139672,3.36698612,0.301284008,0.090126323,0.895857093,0.080162913,0.677266333,0.085943812,0.022191348,3.758396452,1.345026772,5.194849085,0.84378564,0.785401493,2.938599034,0.513967512,0.241847197,0.795416875,0.139120182,0.516295335,0.253968102,0.159794747,3.694413744,2.345337977,6.40502429,0.693125312,0.930058184,3.2066033,0.761186791,0.423547943,0.730210992,0.173338237,0.614349862,0.556610173,0.490100939,4.391338034,4.121373408,9.546517459,0.595316487,1.661060974,2.832999009,0.609286106,0.312306376,0.754542542,0.162277603,0.480727587,0.355730608,0.266466172,3.754591491,2.801154526,7.094820219,0.631813813,1.102924367,3.158375872,0.815250757,0.463012791,0.711884734,0.183754117,0.596282243,0.638980155,0.585688044,4.43663942,4.414708278,10.04354467,0.5678271,1.820950441,3.213782887,0.762421491,0.424669256,0.730260206,0.173243214,0.617115045,0.558451698,0.492699389,4.400873634,4.138828895,9.580251406,0.595390309,1.668266132 +UMLYSI0370,L,ethyl-2-propenoate,C=CC(=O)OCC,unsaturated esters,C5H8O2,140-88-5,8821,UML,,22,0,0.8624,0.74373376,26.3543,15.738344,0,0,15,7,8,0,5,0,2,0,0,0,0,0,0,0,1241.385119,1106.141034,1267.286306,1002.212033,650.096711,291.533929,67.647888,6.096384,0,2799.036018,3096.632142,3323.688617,2872.906884,2330.264788,1649.618213,791.2692929,186.5024666,0,118.153724,109.664256,175.127744,174.756764,124.647716,106.332004,82.617408,40.310784,0,18.78781124,21.29307448,23.55352329,20.28074041,16.80701378,14.19078425,8.680011884,2.667677429,0,2484.215568,2065.393435,3572.129726,3731.371488,2436.772987,2277.162872,2060.036303,1109.505912,0,91.27777778,52.08333333,89.16666667,84,68,46,20,6,0,82.75900793,79.01007386,57.603923,45.55509241,43.33978073,20.82385207,5.637324,1.016064,0,186.6024012,221.1880102,151.0767553,130.5866765,155.3509858,117.8298724,65.93910774,31.08374443,0,7.876914933,7.833161143,7.960352,7.943489273,8.309847733,7.595143143,6.884784,6.718464,0,1.252520749,1.520933891,1.070614695,0.921851837,1.120467585,1.013627446,0.723334324,0.444612905,0,165.6143712,147.5281025,162.369533,169.6077949,162.4515325,162.6544909,171.6696919,184.917652,0,6.085185185,3.720238095,4.053030303,3.818181818,4.533333333,3.285714286,1.666666667,1,0,0.279032835,-0.18887265,0.066793447,0.044167041,-0.060089977,-0.015555178,0.005870338,0.00817056,0,573.1575397,-7.196493084,75.90246032,77.96704119,-391.7408144,-307.729501,73.56547015,192.6530669,0,712.315963,-128.7342236,-94.90437754,231.4220832,-256.6572394,-336.9552848,-2.415189178,232.0862498,0,1.815918933,-0.036867271,0.575177831,-0.609002702,-0.9917664,-0.366961138,0.298120587,0.223339627,0,3.205580421,-0.988385284,-0.819917573,0.881951381,-0.211126848,-0.933234448,-0.277318586,0.745241147,0,18.28483394,-6.119230739,-4.881714567,4.214089565,0.066981533,-4.202182305,-1.840559805,3.620199348,0,36.49259259,-3.806049383,9.940493827,2.225679012,-20.54814815,-13.71160494,2.672592593,4.980740741,0,0.018602189,-0.013490904,0.003036066,0.002007593,-0.004005998,-0.001111084,4.89E-04,0.00136176,0,38.21050265,-0.51403522,3.450111833,3.543956418,-26.11605429,-21.98067864,6.130455846,32.10884448,0,47.48773087,-9.195301686,-4.313835343,10.5191856,-17.11048263,-24.06823463,-0.201265765,38.68104163,0,0.121061262,-0.002633377,0.026144447,-0.027681941,-0.06611776,-0.02621151,0.024843382,0.037223271,0,0.213705361,-0.070598949,-0.037268981,0.040088699,-0.014075123,-0.066659603,-0.023109882,0.124206858,0,1.218988929,-0.43708791,-0.221896117,0.191549526,0.004465436,-0.300155879,-0.153379984,0.603366558,0,2.432839506,-0.27186067,0.451840629,0.101167228,-1.369876543,-0.979400353,0.222716049,0.830123457,0,-0.725232042,0.163210134,0.107922394,-0.215350918,-0.059728676,0.026297704,0.07320429,0,-0.013452721,0.090292239,0.092748228,-0.683478428,-0.575252277,0.160439026,0.840314632,0,-0.193635314,-0.09084105,0.221513755,-0.360313755,-0.506830589,-0.004238269,0.814548114,0,-0.021752429,0.215960468,-0.228660601,-0.546151253,-0.216514427,0.205213309,0.307474666,0,-0.33035647,-0.174394224,0.187588645,-0.065862284,-0.311922934,-0.108138991,0.581206092,0,-0.358565939,-0.182032922,0.157138036,0.003663229,-0.246233474,-0.125825576,0.49497296,0,-0.111746241,0.185725621,0.041584012,-0.563077235,-0.402574995,0.091545722,0.341215873,0,1.699525548,0.929177301,1.25114035,1.586100948,0.548989894,0.136646782,0.02041998,0,0.886528078,0.880875275,0.919102223,1.702238771,1.433042577,0.616077027,0,0,1.336742001,1.025764848,0.63478239,1.235526339,1.439923569,0.921812309,0,0,0.733270619,0.866019536,1.438098138,1.987488428,0.983871013,0.038091825,0,0,1.608393009,1.127048297,0.633009978,1.004739252,1.264394589,0.915716899,0,0,1.651977177,1.14640355,0.670763784,0.979096941,1.195976265,0.872043031,0,0,0.6805034,0.568919941,0.955950195,2.395615549,1.664721405,0.223789709,0,0,22.16690132,11.33345066,17.54542968,22.52404418,3.217720597,11.33349327,0.5,0.122636733,0.017519533,-1.46897008,26.49957226,3.785653181,2.293990014,22.17850029,11.33851572,17.55412954,22.53459397,3.21922771,11.3385581,0.498531158,0.122810506,0.017544358,-1.467978902,26.4844619,3.783494557,2.293590752,32.49847686,15.85024395,25.52726194,31.92848475,4.561212107,15.85024432,-0.797988956,0.20547632,0.02935376,-1.107697138,21.88473374,3.126390534,2.160052513,22.19067377,11.34383169,17.56326137,22.54566634,3.220809477,11.34387382,0.4969896,0.122992551,0.017570364,-1.466942038,26.46867026,3.781238609,2.293173245,43.47867445,20.65704296,34.21148144,41.93253978,5.990362826,20.65704296,-2.164588529,0.234577865,0.033511124,-1.014977388,20.96463135,2.994947335,2.129985757,23.38234702,11.86430769,18.46203956,23.62968157,3.375668795,11.86433177,0.346268372,0.139275388,0.019896484,-1.379911468,25.19801198,3.599715997,2.258735571,23.93277279,12.27554048,19.08552357,24.31053673,3.472933819,12.27555914,0.841904762,0.174028111,0.024861159,-1.223976906,29.51741182,4.216773117,2.369486224,0,11.89,15.99591715,-0.312573818,0.28535378,3.963308216,6.084649993,6,14,12,12,4,2,2,0,0,2,11.619656,3.536839577,3.071827985,2.59441413,1.901536519,1.088205283,0.955590288,0.083923071,0.083923071,1.694547664,1.579035384,0.924475799,0.700696149,0.249908556,0.083923071,0.083923071,0.083923071,3.420465089,3.075830269,2.46514809,1.85000727,1.122826553,0.604213519,0.270913902,0.270913902,1.709462562,1.517832957,0.958827102,0.662502234,0.176612119,0.270913902,0.270913902,0.270913902,3.598796473,3.264986004,2.750686558,2.238794461,1.599952745,1.226714296,0.943918427,0.943918427,1.500499185,1.276589384,0.606581992,0.227365934,0.36810523,0.943918427,0.943918427,0.943918427,3.399162738,3.095660072,2.427258328,1.882647323,1.18170769,0.459592348,0.399277246,0.399277246,1.727409572,1.477346295,0.975771024,0.613203923,0.094709661,0.399277246,0.399277246,0.399277246,3.604550174,3.337517134,2.782106485,2.35812798,1.779385226,1.208936353,1.207644823,1.207644823,1.482179029,1.204359832,0.577517193,0.098936698,0.541720838,1.207644823,1.207644823,1.207644823,4.323174446,3.271784063,3.163301328,2.305328127,1.562082051,1.286918971,0.491803279,0.491803279,1.57114259,1.356687221,0.65425873,0.351574749,0.152221844,0.491803279,0.491803279,0.491803279,0,0,2,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.048112522,0,0,0,0.49279928,0.40824829,0.204124145,0.068041382,0.058076952,0.024056261,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,4.308060412,2.100953631,0.956172441,0.453263132,0.201184464,0.058925565,0,0,0.615437202,0.350158939,0.159362073,0.090652626,0.067061488,0.058925565,0,0,8.596909424,15.21267298,14.6,14.84,9.154697006,115.1647569,0.573127295,1.014178199,0.973333333,0.989333333,0.610313134,7.677650459,0.66169,26.56,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,2,0,0,2,0,0,0,0,0,0,0,0,1,1,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.50555556,3.988240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.542430556,0.618819444,0,0,0.975208333,0,0,1.16125,0,0,0,0,0,0,0,0,1.751388889,3.204675926,0.421481481,0,1.142361111,0,0,0,0,-0.358796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.07152778,4.434027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.434027778,-0.358796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.542430556,0.618819444,0,0,0.393680556,0,0,0.542430556,0,0,0,0,0,0,0,0,1.751388889,3.204675926,0.421481481,0,1.142361111,0,0,0,0,-0.358796296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.07152778,4.434027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.07152778,3.204675926,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.542430556,0.618819444,0,0,0.581527778,0,0,0.618819444,0,0,0,0,0,0,0,0,1.751388889,3.204675926,0.421481481,0,1.142361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.07152778,4.434027778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.66666667,2.952380952,0.670486111,10.07152778,0.348958333,-0.358796296,2.349292407,2.025462963,3.071527778,8.420462963,2.025462963,3.071527778,8.420462963,3.16666,0.45238,0,0.04762,0.58889,0.91905,0.42174,0.5549,0.91905,0.16715,0.03399,-0.13316,0,0.49223,0.22206,0,0.42105,0.1579,0,6.75,0.96429,3.75,0.53571,3,0.42857,-0.75,-0.10714,0,0,3.21002,0.45857,7.07892,3.86889,0.5527,1.64689,0.23527,3.30805,1.66116,0.23731,0.10595,0.01514,0.10595,0.01514,0,6.02,2,2,2,2,0,0,0.4,1.399581231,2.815922064,3.323231429,3.189898095,3.323231429,2.802312683,20.99371846,42.23883096,49.84847143,47.84847143,49.84847143,42.03469024,0.358234047,0.720757849,0.850607753,0.816480016,0.850607753,0.717274419,2.507309365,1.090968532,0.583659167,0.7169925,0.583659167,1.104577913,0.349895308,0.703980516,0.830807857,0.797474524,0.830807857,0.700578171,13.02670534,24.96008766,25.47136674,23.87136674,25.47136674,18.17982883,25.92039149,16.01589218,15.18508904,16.71060152,15.18508904,11.53865782,7,4.166666667,3.84,7,5,3,1.79,0.8445,0.2,2,0.816496581,0,0.333333333,1.414213562,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.447,0.442,0.598,0.207,2.752,6,5,3,1,0,0,0,0,0,28,2.197224577,2.302585093,2.397895273,1.791759469,1.098612289,0,0,0,0,0,3.737669618,1.464285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,4,0.666666667,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,26.3,107.3439178,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,100.0524295,6.670161966,12.66537523,1.809339318,5.198627658,5.198627658,0,50,5,0.956,24,1.216214286,2.103680673,2.841716283,3.690738209,4.790563983,5.616187348,6.763215336,0,0,0,105.251807,129.3320015,137.5081529,176.5125289,109.6118938,34.73868922,6.871859628,0,0,0,285.4350044,333.0008414,393.2398743,620.1944405,594.7198396,393.5450502,210.226057,0,0,0,9.606146249,16.85761021,22.6345478,30.18833674,36.18157979,38.77702975,45.43841876,0,0,0,1.92190594,2.324292148,2.748325931,4.478009694,5.073177548,4.248049489,3.007012817,0,0,0,178.3729462,339.1911947,479.3162078,588.7935875,772.3272088,955.3041114,1250.6379,0,0,0,4.655583333,8.816210393,10.89031149,15.6701521,15.49416236,9.791821176,6.763215336,0,0,0,0.456574821,0.599344505,0.718492867,1.101056359,1.163830499,0.935284543,0.69255325,0,0,0,317.079703,224.2298493,14.67832976,123.360616,-87.23715861,-20.43325619,193.719087,311.4670079,35.11158595,0.719915251,0.509103821,0.03332649,0.280084749,-0.198068058,-0.046392792,139.6546855,98.75986635,6.464928242,54.33298907,-38.42276197,-8.999629877,0.403482535,0.441959106,5.177104504,7.249820288,375.9201299,64.52018914,0.853509803,0.146490197,558.0343465,23.62275061,8.232915223,636.167572,25.22236254,8.600502819,912.9696174,30.2153871,9.701050715,2.040644147,2.040644147,395.2503761,352.6785359,49.27192177,1.12071004,8.021817739,7.157799477,3.455263848,4.210482197,7.435250042,0.765890388,2.489421622,1.582763834,3.691783024,4.577220285,3.123373373,2.550845507,0.438853007,6.85803582,0.859477343,2.517095829,0.81847219,2.860337288,0.029202007,1.315072079,2.82E-14,1.16E-49,9.26E-107,1.42E-185,4.21E-286,0,0,0,0,0,0,0,0,0,0,0,0.225442221,1.733873564,0.70884846,1.535229386,0.104777199,2.69815264,0.066204046,1.324355658,0.072922005,0.146703746,0.086943998,0.122391038,0.002435261,0.00926216,1.98E-16,8.19E-52,6.52E-109,1.00E-187,2.97E-288,0,0,0,0,0,0,0,0,0,0,0,0.680301551,1.452781166,0.810955498,1.529360781,0.324315722,2.165038482,0.12672692,2.080227526,0.233474002,0.516063224,0.191359406,0.472620907,0.007871507,0.09651885,2.07E-15,8.53E-51,6.79E-108,1.04E-186,3.09E-287,0,0,0,0,0,0,0,0,0,0,0,2.35492695,1.733343408,4.158701868,4.666091787,3.071287791,2.857147252,0.432418939,6.739351408,0.811324735,2.331480033,0.757802624,2.618911081,0.027553666,1.171705547,2.51E-14,1.04E-49,8.25E-107,1.27E-185,3.75E-286,0,0,0,0,0,0,0,0,0,0,0,0.995049921,1.345966812,0.948087098,1.733445347,0.523564827,1.967466065,0.170863156,2.620744009,0.343688127,0.803610808,0.276370561,0.774993256,0.01161146,0.20965184,4.49E-15,1.85E-50,1.48E-107,2.27E-186,6.72E-287,0,0,0,0,0,0,0,0,0,0,0,3.00635681,1.678169952,5.087306105,5.712353557,4.556712495,2.788808229,0.537586858,8.842587821,1.037765064,3.250334654,1.061141569,3.838036826,0.035316083,1.917909035,4.11E-14,1.70E-49,1.35E-106,2.07E-185,6.14E-286,0,0,0,0,0,0,0,0,0,0,0,1.342115192,1.466468296,3.556352431,4.978644419,1.234000127,3.559882091,0.254502994,4.219857102,0.416181547,0.898718405,0.373096661,1.335161023,0.014077564,0.318077095,6.81E-15,2.81E-50,2.24E-107,3.44E-186,1.02E-286,0,0,0,0,0,0,0,0,0,0,0,5.693680421,0.755761512,0.22160201,0.853491668,0.113289842,0.58960397,0.418433665,0.266656379,6.671043943,5.732273821,13.35688551,0.780237502,1.274694015,3.565556884,0.460676511,0.033467067,0.878280779,0.113475493,0.231062317,0.15248085,0.006081909,4.059700462,1.777314529,5.891986936,0.817421168,0.389625076,4.729819999,0.511262908,0.104749967,0.884767652,0.095637653,0.406866322,0.191472626,0.05958163,5.345832874,2.967184788,8.566322097,0.827151478,0.657920578,5.405071732,0.751927961,0.206249968,0.849420032,0.118167289,0.531148564,0.413460606,0.230989568,6.36324966,5.334105553,12.5356014,0.774130048,1.175598738,5.279472097,0.55700234,0.144975809,0.882640811,0.093121621,0.507258981,0.227533923,0.11412891,5.981450246,3.786825913,10.19460338,0.823961217,0.848921813,5.751945379,0.793045733,0.235027171,0.848367237,0.116968082,0.601660091,0.460533571,0.299944383,6.780018283,6.099806483,13.95191431,0.772550856,1.362138045,5.521196693,0.755837975,0.209095909,0.851231197,0.116531415,0.554229735,0.417838586,0.237408169,6.486130577,5.485632396,12.84434741,0.776846795,1.20947649 +UMLYSI0371,L,cyclopentanone,C1CCC(=O)C1,cyclic ketone,C5H8O,120-92-3,8452,PubChem,,22,0,-0.7702,0.59320804,20.2676,14.936344,0,0,14,6,8,0,5,0,1,0,0,0,0,0,0,0,985.417118,1010.341298,1303.426247,654.742122,76.700736,0,0,0,0,2582.645241,3338.206942,4683.164353,3142.304322,701.0594557,0,0,0,0,104.802008,104.67752,198.526316,252.45612,118.50624,0,0,0,0,18.14460724,24.19219448,36.21834058,27.96981576,7.474426802,0,0,0,0,2298.764282,2012.295491,4130.289809,5716.396351,2959.748931,0,0,0,0,68.77777778,35.41666667,61.41666667,85.66666667,40,0,0,0,0,70.386937,72.16723557,48.27504619,19.25712124,4.793796,0,0,0,0,184.4746601,238.443353,173.4505316,92.42071535,43.81621598,0,0,0,0,7.485857714,7.476965714,7.352826519,7.42518,7.40664,0,0,0,0,1.296043374,1.728013891,1.341420021,0.82264164,0.467151675,0,0,0,0,164.1974487,143.7353922,152.9736966,168.1293045,184.9843082,0,0,0,0,4.912698413,2.529761905,2.274691358,2.519607843,2.5,0,0,0,0,0.119095345,-0.040669366,-0.004816365,0.006081973,-0.020143915,0,0,0,0,480.0001234,2.70E-13,-80.13717518,-260.085762,100.2228755,0,0,0,0,703.208428,1.56E-13,-259.8424409,-450.2592987,358.4975257,0,0,0,0,1.006693714,2.95E-16,0.065816408,-0.287259592,-0.281903673,0,0,0,0,3.155024204,-1.50E-15,-1.476246983,-2.068416158,1.967151039,0,0,0,0,17.60532202,5.77E-15,-8.537594237,-11.45002073,11.18495395,0,0,0,0,32.07936508,0.876984127,1.049319728,-9.240362812,-8.725623583,0,0,0,0,0.00850681,-0.002904955,-1.78E-04,1.79E-04,-0.001258995,0,0,0,0,34.2857231,1.93E-14,-2.968043525,-7.649581236,6.263929719,0,0,0,0,50.22917343,1.12E-14,-9.623794109,-13.24292055,22.40609535,0,0,0,0,0.071906694,2.11E-17,0.002437645,-0.008448812,-0.01761898,0,0,0,0,0.225358872,-1.07E-16,-0.054675814,-0.060835769,0.12294694,0,0,0,0,1.257523002,4.12E-16,-0.316207194,-0.336765315,0.699059622,0,0,0,0,2.29138322,0.062641723,0.038863694,-0.271775377,-0.545351474,0,0,0,0,-0.341485769,-0.020969537,0.02102804,-0.147998445,0,0,0,0,5.63E-16,-0.086567914,-0.223112729,0.182697903,0,0,0,0,2.22E-16,-0.1915977,-0.26364998,0.446077326,0,0,0,0,2.93E-16,0.033900109,-0.117496871,-0.245025583,0,0,0,0,-4.75E-16,-0.242616649,-0.26995063,0.545560683,0,0,0,0,3.28E-16,-0.251452414,-0.267800521,0.555902056,0,0,0,0,0.027337952,0.0169608,-0.118607562,-0.23800099,0,0,0,0,0.968817907,0.693378388,1.042811493,1.453733881,0,0,0,0,0.952203536,0.987470333,1.14219339,0.760804766,0,0,0,0,1.211847767,1.256731018,1.088737224,0.19283301,0,0,0,0,0.467743913,0.485067762,1.241935077,1.82056019,0,0,0,0,1.295695716,1.343684446,1.071474411,0.009415622,0,0,0,0,1.299983779,1.348131326,1.070591575,3.55E-05,0,0,0,0,0.441427511,0.490296333,1.247187618,1.823602177,0,0,0,0,15.19518796,7.722593978,11.38889539,15.36185462,2.560309104,7.723982562,0.25,0.097222757,0.016203793,-1.398450281,28.21293259,4.702155431,2.003868285,15.19693001,7.723097794,11.38976614,15.36310706,2.560517844,7.724485417,0.249265579,0.097162003,0.016193667,-1.398825337,28.22674482,4.70445747,2.004161956,16.74127642,8.17114097,12.25106533,16.4752801,2.745880017,8.171931591,-0.398994478,0.036805407,0.006134234,-1.981266315,349.3110906,58.2185151,3.513577741,15.19875833,7.723626563,11.39068022,15.36442153,2.560736921,7.725013179,0.2484948,0.09709822,0.016183037,-1.399219341,28.24126868,4.706878113,2.004470602,18.37983666,8.648771196,13.38115538,17.65830715,2.943051191,8.649236386,-1.082294264,0.032564281,0.00542738,-2.054723559,33.18047235,5.530078725,2.101176912,15.37762057,7.775377376,11.48120403,15.49304336,2.582173893,7.776670015,0.173134186,0.090759727,0.015126621,-1.439723777,29.8139717,4.968995283,2.03698628,14.56339074,7.322768126,10.76772433,14.82074524,2.470124207,7.32529646,0.772063492,0.16235719,0.027059532,-1.090773896,19.60165013,3.266941689,1.785368252,0,11.9,15.99491589,-0.299186024,0.187717394,4.018497837,6.400697372,6,14,13,13,5,1,1,0,0,1,9.703656,3.660553052,2.721430928,2.459820995,1.567748549,1.19006016,0.083923071,0.083923071,0.083923071,1.724171079,1.637660892,0.757863935,0.628176547,0.184019975,0.083923071,0.083923071,0.083923071,3.635593714,2.613615742,2.510897621,1.461731566,1.30885592,0.270913902,0.270913902,0.270913902,1.655976007,1.637311729,0.62194973,0.556297773,0.260704611,0.270913902,0.270913902,0.270913902,3.761234391,2.850640096,2.734801489,1.917462401,1.778468089,0.943918427,0.943918427,0.943918427,1.452583651,1.449354072,0.172849073,0.128727721,0.267244541,0.943918427,0.943918427,0.943918427,3.639845897,2.597400255,2.548571849,1.450216432,1.39352899,0.399277246,0.399277246,0.399277246,1.639997615,1.612285733,0.54565259,0.531260614,0.223018367,0.399277246,0.399277246,0.399277246,3.796387309,2.882748301,2.841861735,2.010139246,1.978039144,1.207644823,1.207644823,1.207644823,1.423580518,1.38842831,0.055714193,0.016182923,0.414695574,1.207644823,1.207644823,1.207644823,5.212268516,3.454535089,2.615153931,2.223434717,1.560961402,0.652173913,0.652173913,0.652173913,1.548560608,1.383603685,0.366685159,0.175860764,0.582269606,0.652173913,0.652173913,0.652173913,0,0,0,1,0,0,4,0,0,0,0,0.144337567,0.144337567,0,0,0,0.125,0.051031036,0,0.288675135,0,0,0,0.102062073,0,0,0,0.40824829,0.433012702,0,0.144337567,0.153093109,0,4.405777394,2.89384685,2.389628766,1.64384685,1.129936127,0.288675135,0,0,0.734296232,0.482307808,0.341375538,0.234835264,0.161419447,0.144337567,0,0,3.736675415,2.411230926,1.745781916,1.161230926,0.769337567,0.102062073,0,0,0.622779236,0.401871821,0.249397417,0.165890132,0.109905367,0.051031036,0,0,7.88211032,13.8820102,13.25098039,13.44,8.674457485,107.0102359,0.56300788,0.991572157,0.946498599,0.96,0.619604106,7.643588281,1.1295,23.475,18.09925825,25.29161865,36.19851651,6.033086084,18.09925827,0.064833572,0.010805595,-1.641559038,30.97618464,5.16269744,2.059931203,29,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,2,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24305556,0.453703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.414583333,0.802777778,0,0,0,0,0,0,0,0,0,0,0,0,3.969907407,0,0,0,0,0,0,0.453703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24305556,0.453703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305902778,0.401388889,0,0,0,0,0,0,0,0,0,0,0,0,0.847222222,0,0,0,0,0,0,0.453703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24305556,0.453703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,0,0,1.137731481,0,0,0,0,0,0,0.453703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.24305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.66666667,2.444444444,0.565972222,10.24305556,0.305902778,0.453703704,1.849523148,1.212962963,3.243055556,6.486111111,1.212962963,3.243055556,6.486111111,2.83333,0.47222,0,0.02778,0.52619,0.82778,0.43333,0.52619,0.82778,0.09286,0,-0.09286,0,0.57047,0.14382,0,0.11765,0.17647,0,4.75,0.79167,3.25,0.54167,1.5,0.25,-1.75,-0.29167,0,0,3.68665,0.61444,5.2306,1.54395,0.25733,2.20568,0.36761,2.89384,0.68816,0.11469,0.02016,0.00336,0.10616,0.01769,0.357142857,6.01,1,1,1,1,0,0,0.8,1.263809174,1.807354922,2.378783493,2.378783493,2.378783493,2.378783493,17.69332843,25.30296891,33.30296891,33.30296891,33.30296891,33.30296891,0.331938892,0.47470093,0.624786379,0.624786379,0.624786379,0.624786379,2.543545748,2,1.428571429,1.428571429,1.428571429,1.428571429,0.3234821,0.462606996,0.608868724,0.608868724,0.608868724,0.608868724,11.18095047,17.70349945,18.27939946,18.27939946,18.27939946,18.27939946,21.78168418,17.12333716,17.56366876,17.56366876,17.56366876,17.56366876,4.166666667,1.632653061,0.979591837,0,1,0,1.9,0.7202,0,0,0,0,4.242640687,2.828427125,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.405,0.403,0.748,0.387,3.245,7,7,7,2,0,0,0,0,0,35,2.079441542,2.302585093,2.302585093,2.302585093,1.609437912,0,0,0,0,0,3.80666249,1.257142857,0.333333333,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,3,0.5,1,0.444444444,0.222222222,0,0,0,0,0,0,0,0.166666667,0.063492063,0.111111111,0,0,0,0,0,0,0,0.341269841,8.82187003,12.9883029,17.64374006,2.940623343,8.822274637,0.053128175,0.008854696,-1.761028728,43.83078249,7.305130415,2.26820182,17.07,88.83369113,3.584962501,3.295836866,4.007333185,4.762173935,5.493061443,6.251903883,6.989335266,7.747164967,8.487764381,9.243871855,68.27844578,2.564949357,0,3.713572067,2.397895273,5.017279837,4.442651256,6.385194399,6.224558429,7.788626066,8.245646901,84.05751488,6.004108205,11.57549817,1.929249695,2.461233746,2.461233746,0,26,2,0.351,26,1.4272484,2.522779342,3.327768695,4.101489997,0,0,0,0,0,0,126.9809917,143.700827,78.47407462,22.97038935,0,0,0,0,0,0,395.138052,478.9146831,332.4376811,190.8633599,0,0,0,0,0,0,10.76038175,18.81752593,25.1430202,30.98099088,0,0,0,0,0,0,2.759616845,3.576609806,2.827553324,1.935758245,0,0,0,0,0,0,200.5563045,380.9274749,556.2826925,758.7696696,0,0,0,0,0,0,3.821326232,6.47336511,9.480198073,11.5674827,0,0,0,0,0,0,0.58887794,0.800959231,0.707820619,0.547412184,0,0,0,0,0,0,261.432116,102.2453659,13.29286726,66.328053,-25.94071514,-17.93227771,195.104063,128.1860811,31.22514497,0.797632357,0.311951773,0.040556689,0.202367643,-0.079145417,-0.054711583,85.68703451,33.51195842,4.35687242,21.73969386,-8.502333179,-5.877486373,0.339148862,0.764952108,18.37712924,44.96417301,268.9797923,58.78037665,0.820660403,0.179339597,301.5123266,17.3641103,6.705559554,379.0086152,19.4681436,7.23685205,446.5289739,21.13123219,7.643340632,1.345243924,1.328393467,319.5642169,259.1459803,91.37012881,1.233143638,3.497469261,2.836222119,3.83103484,3.649051612,5.70136841,0.562424711,2.231204427,2.59584145,1.457328555,6.442929699,6.733181116,6.493124408,2.752908777,3.635368369,0.642182098,0.688699761,1.34E-04,2.00E-28,5.74E-74,3.18E-141,3.40E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.187249527,2.927702002,0.710107049,2.173112608,1.427648754,1.213860032,2.197370418,0.207752096,0.831333337,0.076988342,1.50E-05,2.23E-29,6.41E-75,3.56E-142,3.80E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.604464297,2.310483702,0.843091812,2.782963694,1.548956142,1.879577799,1.285296588,0.48185575,0.448718098,0.13336603,2.59E-05,3.87E-29,1.11E-74,6.16E-142,6.58E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.106074973,2.926485853,1.404671911,6.088950366,6.598251393,6.036280744,3.208038895,3.862213918,0.852902237,0.865032464,1.68E-04,2.51E-28,7.21E-74,3.99E-141,4.27E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.890869158,2.075938833,0.940183239,3.279314346,1.90425748,2.455813142,0.998437539,0.647486956,0.302706899,0.132057293,2.57E-05,3.83E-29,1.10E-74,6.10E-142,6.52E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.694502476,2.805304737,1.660140776,7.858678241,9.101284434,8.397828357,3.57365066,5.291825597,0.78158989,1.005852082,1.96E-04,2.92E-28,8.38E-74,4.64E-141,4.97E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.423499989,6.489314298,1.146535203,4.533177355,7.565356959,4.0042188,8.00900747,5.897903106,2.837564255,2.050476603,3.99E-04,5.94E-28,1.71E-73,9.47E-141,1.01E-229,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.182467206,1.696338692,0.623639576,0.484729292,0.376759408,0.347550487,0.454582805,0.430606078,4.502445473,6.121180429,12.93246656,0.29223305,1.23273937,3.416600334,0.906638423,0.186249723,0.757646981,0.201051278,0.788935374,0.118214996,0.036194463,4.50948848,3.90282316,8.989242719,0.636470472,0.943344834,2.365528735,1.262031239,0.355116284,0.593954563,0.316880197,0.381046149,0.230309103,0.136315678,3.982676258,4.273576778,9.316406949,0.390931844,0.74767093,2.427989673,1.640585374,0.602371682,0.519806757,0.351231874,0.410994226,0.405058371,0.396636504,4.670946729,6.434118739,13.50450725,0.306557947,1.212689102,1.999844572,1.429656419,0.436678981,0.51726629,0.369785274,0.27717051,0.30055252,0.210361917,3.866179971,4.356681626,9.471366379,0.330577346,0.788084947,2.23603648,1.742381778,0.658335764,0.482241773,0.375776194,0.369062813,0.486291067,0.479783417,4.636754022,6.51516424,13.71681363,0.28702695,1.335137296,2.499386578,1.632683256,0.601876789,0.52797101,0.344888396,0.433336142,0.399002082,0.394685747,4.733946623,6.56770354,13.75773276,0.309289108,1.227023971 +UMLYSI0372,L,isobutanal,CC(C)C=O,saturated aldehyde,C4H8O,78-84-2,6561,PubChem,,21.2,0,0.5419,0.29365561,21.3805,13.176344,0,0,13,5,8,0,4,0,1,0,0,0,0,0,0,0,841.152997,721.813056,768.250608,577.06665,112.002912,0,0,0,0,2159.128339,2491.173138,2989.162468,2511.371475,958.3379502,0,0,0,0,97.261492,89.596488,153.613704,176.215032,157.603968,0,0,0,0,15.35570724,18.61439448,24.04392852,21.91535866,9.877801489,0,0,0,0,2171.969926,1758.706778,3359.642063,3930.010166,3884.870441,0,0,0,0,70.77777778,37.33333333,49.66666667,70,57,0,0,0,0,64.70407669,60.151088,36.58336229,24.04444375,5.333472,0,0,0,0,166.0867953,207.5977615,142.3410699,104.6404781,45.63514049,0,0,0,0,7.481653231,7.466374,7.314938286,7.342293,7.504950857,0,0,0,0,1.181208249,1.55119954,1.144948977,0.913139944,0.470371499,0,0,0,0,167.0746097,146.5588982,159.9829554,163.7504236,184.9938305,0,0,0,0,5.444444444,3.111111111,2.365079365,2.916666667,2.714285714,0,0,0,0,0.128464031,-0.03181403,-0.038830599,0.029581379,-0.023168766,0,0,0,0,441.1976548,-41.78727394,-24.30772247,-178.8608978,24.35706683,0,0,0,0,616.1115392,-93.79664945,-47.35327963,-469.5640959,302.6582554,0,0,0,0,1.006116923,-6.21E-04,-0.027508876,-0.002328166,-0.47260026,0,0,0,0,2.72042466,-0.468030278,-0.235071675,-2.536307411,1.879197035,0,0,0,0,15.16770937,-2.625121323,-1.329558994,-14.53723521,10.90806084,0,0,0,0,32.41025641,0.023011177,-1.166995398,-0.039447732,-15.02169625,0,0,0,0,0.009881849,-0.002651169,-0.001849076,0.001232557,-0.001103275,0,0,0,0,33.93828114,-3.482272828,-1.157510594,-7.452537409,1.159860325,0,0,0,0,47.39319532,-7.816387454,-2.254918078,-19.56517066,14.41229787,0,0,0,0,0.077393609,-5.18E-05,-0.001309946,-9.70E-05,-0.022504774,0,0,0,0,0.209263435,-0.039002523,-0.011193889,-0.105679475,0.089485573,0,0,0,0,1.166746874,-0.21876011,-0.063312333,-0.605718134,0.519431469,0,0,0,0,2.493096647,0.001917598,-0.055571209,-0.001643655,-0.715318869,0,0,0,0,-0.268286765,-0.187118444,0.124729443,-0.111646577,0,0,0,0,-0.102606046,-0.034106341,-0.219590891,0.034175577,0,0,0,0,-0.164926366,-0.047578942,-0.412826578,0.304100573,0,0,0,0,-6.69E-04,-0.01692577,-0.001253423,-0.290783366,0,0,0,0,-0.18638002,-0.053491855,-0.505006884,0.427621638,0,0,0,0,-0.187495776,-0.054263983,-0.51915128,0.445196366,0,0,0,0,7.69E-04,-0.022290034,-6.59E-04,-0.286919831,0,0,0,0,0.938399873,0.803033599,0.759654684,1.506846834,0,0,0,0,1.115636275,0.939840713,1.105775651,0.873194958,0,0,0,0,1.489558193,1.098674008,1.340718436,0.232185955,0,0,0,0,0.504012991,0.621759034,0.772473837,1.921692015,0,0,0,0,1.618280118,1.138052131,1.434984504,0.011519798,0,0,0,0,1.624974654,1.13452476,1.44476549,4.34E-05,0,0,0,0,0.515954641,0.633740205,0.771360759,1.904159132,0,0,0,0,12.64496479,6.447482394,9.696903291,12.79496479,2.558992958,6.451362111,0.25,0.091184505,0.018236901,-1.19743515,13.7520665,2.7504133,1.310594552,12.64657839,6.447921983,9.697812265,12.79613773,2.559227547,6.451799157,0.249265579,0.091120051,0.01822401,-1.197788701,13.75020821,2.750041642,1.310526983,14.07255378,6.836779649,10.5963745,13.83315709,2.766631418,6.839072456,-0.398994478,0.033164003,0.006632801,-1.703145124,12.93276966,2.586553932,1.279882187,12.64827187,6.448383336,9.698766495,12.79736875,2.55947375,6.452257844,0.2484948,0.091052397,0.018210479,-1.198160075,13.74826035,2.74965207,1.310456148,15.57863849,7.248172112,11.7410393,14.92926193,2.985852386,7.249591299,-1.082294264,0.020447042,0.004089408,-1.94495853,13.65287957,2.730575914,1.306975228,12.81387241,6.493503296,9.793335281,12.91775292,2.583550584,6.49712888,0.173134186,0.084395953,0.016879191,-1.236117912,13.56972975,2.713945951,1.303920779,15.28576502,7.664434408,11.40560503,15.40838406,3.081676813,7.665726318,0.613095238,0.139927608,0.027985522,-0.983315038,14.73442882,2.946885763,1.345093426,0,11.98878797,16.00592415,-0.388848368,0.208525657,3.448105827,6.533502649,4,12,11,11,3,1,1,0,0,1,9.703656,3.468586219,2.68215657,2.333552793,1.18586181,0.479678456,0.083923071,0.083923071,0.083923071,1.808523084,1.249629723,1.054845773,0.369116012,0.083923071,0.083923071,0.083923071,0.083923071,3.438135288,2.551315971,2.405454588,1.210696925,0.411635737,0.270913902,0.270913902,0.270913902,1.768826854,1.134540686,1.080602523,0.234813734,0.270913902,0.270913902,0.270913902,0.270913902,3.58904405,2.854019562,2.704236987,1.668992229,1.059679313,0.943918427,0.943918427,0.943918427,1.57124514,0.76031856,0.733530821,0.29545887,0.943918427,0.943918427,0.943918427,0.943918427,3.444232452,2.527307828,2.457539916,1.265757337,0.424097947,0.399277246,0.399277246,0.399277246,1.747051727,1.090462954,1.058262671,0.145809624,0.399277246,0.399277246,0.399277246,0.399277246,3.632032674,2.893371708,2.838982085,1.8401303,1.208173581,1.207644823,1.207644823,1.207644823,1.524879641,0.68522815,0.631337262,0.46872007,1.207644823,1.207644823,1.207644823,1.207644823,4.602947915,3.230990059,2.571572866,1.715114039,1.100829979,0.545454545,0.545454545,0.545454545,1.671378579,0.935209229,0.626372811,0.011505761,0.545454545,0.545454545,0.545454545,0.545454545,0,0,1,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.333333333,0,0,0,0.40824829,0,0,0.136082763,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.562948829,1.723736132,1.380099699,0.272165527,0,0,0,0,0.712589766,0.430934033,0.345024925,0.136082763,0,0,0,0,6.88211032,12.8820102,12.25098039,12.44,7.674457485,100.2675413,0.529393102,0.990923861,0.942383107,0.956923077,0.590342883,7.712887794,0.8413,20.902,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,1,0,1,0,0,0,0,0,0,0,0,2,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.50462963,0.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.581944444,0,0,1.013194444,0.401388889,0,0.581944444,0,0,0,0,0,0,0,0,3.708333333,0,0,0,0.916666667,0,0.203703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.50462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.50462963,0.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.581944444,0,0,0.305902778,0.401388889,0,0.581944444,0,0,0,0,0,0,0,0,1.854166667,0,0,0,0.916666667,0,0.203703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.50462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.50462963,0.916666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.581944444,0,0,0.401388889,0.401388889,0,0.581944444,0,0,0,0,0,0,0,0,1.854166667,0,0,0,0.916666667,0,0.203703704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.50462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,2.866666667,0.704861111,9.50462963,0.305902778,0.203703704,1.945240741,1.12962963,2.50462963,5.009259259,1.12962963,2.50462963,5.009259259,2.33333,0.46667,0,0.03333,0.51282,0.85333,0.41765,0.51282,0.85333,0.09517,0,-0.09517,0,0.54687,0.16742,0,0.57143,0.21429,0,3.75,0.75,2.25,0.45,1.5,0.3,-0.75,-0.15,0,0,2.85912,0.57182,4.43249,1.57338,0.31468,1.565,0.313,2.27005,0.70505,0.14101,0.14395,0.02879,0.14395,0.02879,0,4.01,1,1,1,1,0,0,0.75,1.238901257,2.034940914,2.353533949,2.068884739,1.084134057,0,16.10571634,26.45423188,30.59594133,26.89550161,14.09374274,0,0.334798389,0.549918677,0.636014671,0.559091594,0.292974387,0,2.461538462,1.665498804,1.34690577,1.631554979,2.616305661,3.700439718,0.334798389,0.549918677,0.636014671,0.559091594,0.292974387,0,11.26589917,17.14147939,17.46256543,14.04677492,5.358680638,0,18.28260559,14.32930326,14.3367236,12.62882835,5.650856715,0,5,2.25,4,5,1,3,1.79,0.6879,0.5,1,2,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.441,0.435,0.583,0.156,2.185,4,2,0,0,0,0,0,0,0,15,1.791759469,1.791759469,1.609437912,0,0,0,0,0,0,0,2.995732274,1.266666667,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,3,0.75,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,17.07,83.8941652,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,72.05751488,5.54288576,8.696801932,1.739360386,2.329115249,2.329115249,0,18,2,0.88,16,1.22225,2.116863065,2.900917618,3.435387784,0,0,0,0,0,0,83.08822345,87.40393196,76.01913879,19.35858633,0,0,0,0,0,0,276.3692965,326.6209853,314.0304174,160.2662803,0,0,0,0,0,0,9.153614798,15.5618563,21.39696484,25.97114854,0,0,0,0,0,0,2.01969673,2.571017988,2.694191045,1.622089754,0,0,0,0,0,0,177.1825165,334.4995596,473.194048,635.5438258,0,0,0,0,0,0,3.843722222,5.242086016,8.86072045,9.735998497,0,0,0,0,0,0,0.439915625,0.574124644,0.648468393,0.459314132,0,0,0,0,0,0,215.259507,89.2908593,8.821726069,78.06139432,-32.38030726,-15.96096219,137.1981127,121.6711666,24.78268826,0.733870331,0.304413558,0.030075341,0.266129669,-0.11039209,-0.054414677,63.1401126,26.19087533,2.587596641,22.89703854,-9.497820911,-4.681683816,0.294626104,0.729388204,3.669175085,34.27404411,246.3307746,46.99012668,0.839799597,0.160200403,318.975172,17.85987604,6.832594181,396.4714607,19.91159111,7.34633356,459.8877625,21.44499388,7.718814744,1.121422134,1.020545155,173.8175523,128.4413054,62.67523225,1.353283913,2.773305276,2.049315188,3.123172513,2.386462198,4.277672033,0.792474248,2.244419464,2.889205725,3.250246774,6.051988801,3.413715336,2.176508475,0.951266315,0.0129642,3.27E-23,1.69E-65,1.76E-129,3.64E-215,1.5E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.204852337,2.889147465,0.186742798,3.374965565,1.184647607,0.643788465,0.037093202,0.00143912,3.66E-24,1.89E-66,1.96E-130,4.06E-216,1.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.613910393,2.889033755,0.514030849,3.701533943,0.829894036,0.578817002,0.104711207,0.002498885,6.34E-24,3.27E-66,3.40E-130,7.04E-216,2.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.12365973,2.889257743,3.295028294,6.185554834,3.430092625,2.663662952,0.953487002,0.016248242,4.11E-23,2.12E-65,2.21E-129,4.57E-215,1.9E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.897215541,2.888998144,0.741560894,3.938281943,0.84930001,0.518909477,0.161033076,0.002482745,6.27E-24,3.24E-66,3.37E-130,6.97E-216,2.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.710484556,2.889303952,4.541708287,6.915226557,4.734793162,3.080569007,1.387942645,0.018934126,4.78E-23,2.47E-65,2.57E-129,5.31E-215,2.17E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.327384163,2.292869228,2.830844211,6.843025792,4.413399086,4.790689719,0.801000264,0.02682733,6.82E-23,3.52E-65,3.66E-129,7.57E-215,3.06E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.533335516,1.389283711,0.483303764,0.450196766,0.407902268,0.577887123,0.459499675,0.390411918,3.405922991,3.542750928,7.978225989,0.287148551,1.427798716,1.985067575,0.750638557,0.12175409,0.694696486,0.262694316,0.82829982,0.138667398,0.024697219,2.857460222,1.823151671,4.862033798,0.542044729,0.991664437,1.442224775,1.097019493,0.271464383,0.513117848,0.390299967,0.436426409,0.295934227,0.123374358,2.810708651,2.27146307,5.51166874,0.355126723,0.855734994,1.574126557,1.418555301,0.462298516,0.455610854,0.410582738,0.545561165,0.511407973,0.356699462,3.454980374,3.616497954,8.103784245,0.299290387,1.4136686,1.301109501,1.221190237,0.344171787,0.453906306,0.426025595,0.405223451,0.384111972,0.198715879,2.866471525,2.457006629,5.870333471,0.319897851,0.988051302,1.57573616,1.424623458,0.507164694,0.449244544,0.406162105,0.61056163,0.484104051,0.429529332,3.507524312,3.766507166,8.412530352,0.283109973,1.524195013,1.582848171,1.420267192,0.460965393,0.45693166,0.409998292,0.548476202,0.511017337,0.35463887,3.464080757,3.632399582,8.132761579,0.300394928,1.414132409 +UMLYSI0373,L,2-pentanone,CCCC(=O)C,saturated alkanone,C5H10O,107-87-9,7895,PubChem,,21.1,0,-0.4558,0.20775364,24.1299,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,890.291353,994.748085,716.772887,477.731566,127.119888,9.144576,0,0,2644.81273,3144.163273,3730.992294,3247.508299,2181.171529,1120.963057,279.7536999,0,0,118.238936,111.372268,196.083876,225.06698,174.07936,111.43008,60.466176,0,0,19.03383305,23.6303831,30.19190358,27.3996407,19.44148531,10.95324725,4.001516144,0,0,2668.599586,2191.74623,4310.126609,5019.500517,4094.498444,2583.794029,1664.258868,0,0,74.27777778,40.75,63.83333333,82.16666667,57.5,39,9,0,0,61.71557788,59.35275687,36.84252167,23.89242957,19.90548192,8.4746592,1.016064,0,0,165.3007956,209.6108849,138.1848998,108.2502766,90.88214705,74.73087045,31.08374443,0,0,7.3899335,7.424817867,7.262365778,7.502232667,7.253306667,7.428672,6.718464,0,0,1.189614566,1.575358873,1.118218651,0.913321357,0.810061888,0.730216483,0.444612905,0,0,166.7874742,146.1164153,159.6343189,167.3166839,170.6041018,172.2529352,184.917652,0,0,4.642361111,2.716666667,2.364197531,2.738888889,2.395833333,2.6,1,0,0,0.121454569,-0.043193133,0.010656547,-0.031482461,0.019033133,-0.022148813,0.006407442,0,0,523.7576238,-43.92541314,19.66342755,-230.5705662,19.12723312,-198.4686508,172.2951575,0,0,766.4429154,-94.95499335,-135.8422519,-212.6341937,13.9033117,-202.6791246,248.9857942,0,0,1.03666,-0.00156025,0.12109675,-0.4250675,-0.05685,-0.27394125,0.11799225,0,0,3.391946473,-0.464107523,-1.103534916,-0.493834691,-0.053678424,-0.513699117,0.932881435,0,0,18.82152525,-2.587911668,-6.817934048,-2.057802336,-0.526885346,-2.209029454,4.788800225,0,0,33.10416667,-0.858072917,4.178385417,-13.8828125,-0.25,-9.024739583,3.28515625,0,0,0.007590911,-0.002879542,3.95E-04,-0.001049415,7.93E-04,-0.001476588,7.12E-04,0,0,32.73485148,-2.928360876,0.728275094,-7.685685539,0.796968047,-13.23124338,19.14390639,0,0,47.90268221,-6.33033289,-5.031194516,-7.087806457,0.579304654,-13.51194164,27.66508825,0,0,0.06479125,-1.04E-04,0.004485065,-0.014168917,-0.00236875,-0.01826275,0.01311025,0,0,0.211996655,-0.030940502,-0.040871664,-0.016461156,-0.002236601,-0.034246608,0.103653493,0,0,1.176345328,-0.172527445,-0.252516076,-0.068593411,-0.021953556,-0.14726863,0.532088914,0,0,2.069010417,-0.057204861,0.154755015,-0.462760417,-0.010416667,-0.601649306,0.365017361,0,0,-0.379340816,0.051994674,-0.138246309,0.104473267,-0.194520475,0.093788227,0,0,-0.089456978,0.022247698,-0.234786021,0.024346164,-0.404194392,0.584817267,0,0,-0.132149863,-0.105029495,-0.147962622,0.012093366,-0.282070669,0.577526914,0,0,-0.001605412,0.06922331,-0.218685651,-0.036559721,-0.281870623,0.202345996,0,0,-0.145948065,-0.192793908,-0.077648189,-0.010550171,-0.161543152,0.488939285,0,0,-0.146663943,-0.21466152,-0.058310608,-0.01866251,-0.125191665,0.452323736,0,0,-0.027648416,0.074796634,-0.223662681,-0.005034613,-0.290790854,0.176421229,0,0,1.076669604,0.71134427,1.441396391,0.843171933,1.408745647,0.003828651,0,0,1.170927332,0.915782169,1.237378961,0.855531925,1.337055762,0,0,0,1.491123972,1.167254118,1.028522109,0.816418639,1.044504574,0,0,0,0.512040592,0.530805128,1.627408215,0.985701677,1.700571065,0,0,0,1.594610489,1.277272841,0.952397111,0.814556278,0.898214131,0,0,0,1.599979575,1.293653979,0.94524565,0.818462086,0.871412624,0,0,0,0.541220894,0.518145584,1.63876652,0.954216488,1.721837634,0,0,0,19.84869454,10.04934727,16.04478306,20.0153612,3.335893534,10.04946897,0.25,0.145135574,0.024189262,-1.15805219,27.35389766,4.558982943,1.985315417,19.85036888,10.04981723,16.04540607,20.01654593,3.336090989,10.04993885,0.249265579,0.145112873,0.024185479,-1.158146043,27.3472863,4.557881049,1.985170382,21.33863364,10.46981958,16.63031234,21.07263732,3.51210622,10.4698898,-0.398994478,0.12232631,0.020387718,-1.260637878,23.03690567,3.839484278,1.882258514,19.85212614,10.05031047,16.04606002,20.01778934,3.336298224,10.050432,0.2484948,0.145089042,0.024181507,-1.158244585,27.34035322,4.556725537,1.98501825,22.92527446,10.9214901,17.34527551,22.20374495,3.700624158,10.92153228,-1.082294264,0.090382996,0.015063833,-1.442219477,20.70991669,3.451652782,1.818367592,20.02409351,10.09861385,16.1104278,20.1395163,3.35658605,10.09872726,0.173134186,0.142726626,0.023787771,-1.168094512,26.68900312,4.448167187,1.970550968,22.01238989,11.08688214,18.18853627,22.2350354,3.705839233,11.08693252,0.667936508,0.189107237,0.031517873,-0.99926462,46.65332405,7.775554009,2.305646508,0,11.89,15.99491589,-0.299494891,0.191074243,3.958059471,6.545506816,5,15,14,14,4,1,1,0,0,1,11.89007,3.513617914,2.995054802,2.243611616,1.952483458,1.332142786,0.083923071,0.083923071,0.083923071,1.827144974,1.522159866,1.138252891,0.677479591,0.204151997,0.083923071,0.083923071,0.083923071,3.472090895,2.98933329,2.30767854,1.820712504,1.385331191,0.270913902,0.270913902,0.270913902,1.790675693,1.463585996,1.027058745,0.579702946,0.315668329,0.270913902,0.270913902,0.270913902,3.621651732,3.196376987,2.604042724,2.222194235,1.848806117,0.943918427,0.943918427,0.943918427,1.596730793,1.19210608,0.65466726,0.128065661,0.184834489,0.943918427,0.943918427,0.943918427,3.474545379,3.005356509,2.35732026,1.812352255,1.426573966,0.399277246,0.399277246,0.399277246,1.771859608,1.425885195,0.953681105,0.549214971,0.298158986,0.399277246,0.399277246,0.399277246,3.659745852,3.268622823,2.735145633,2.29559102,2.001683896,1.207644823,1.207644823,1.207644823,1.553950198,1.120679461,0.528591107,0.027361458,0.309758365,1.207644823,1.207644823,1.207644823,4.768705223,3.280342642,2.816953504,2.424657776,1.650623634,0.576923077,0.576923077,0.576923077,1.675474914,1.218219242,0.828853611,0.313741666,0.4411605,0.576923077,0.576923077,0.576923077,0,0,0,1,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.144337567,0,0,0,0.288675135,0.288675135,0,0.102062073,0.102062073,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.322461853,2.264784317,1.452015103,0.602062073,0.352062073,0,0,0,0.720410309,0.452956863,0.290403021,0.200687358,0.176031036,0,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,1.3755,25.589,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,2,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.972916667,0.802777778,0,0,0,0,0,0,0,0,0,0,3.615972222,0,1.717592593,0,0,0,0,0,0,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.265625,0.401388889,0,0,0,0,0,0,0,0,0,0,1.614583333,0,0.736111111,0,0,0,0,0,0,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,2.001388889,0,0.981481481,0,0,0,0,0,0,0.289351852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.04375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.66666667,2.611111111,0.594097222,10.04375,0.265625,0.289351852,2.349181019,1.377314815,3.04375,6.090277778,1.377314815,3.04375,6.090277778,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.42,0.49792,0.82778,0.07792,0,-0.07792,0,0.57047,0.14382,0,0.47059,0.17647,0,4.25,0.70833,2.75,0.45833,1.5,0.25,-1.25,-0.20833,0,0,4.00539,0.66756,5.69868,1.6933,0.28222,2.02767,0.33795,2.77005,0.74238,0.12373,0.14395,0.02399,0.14395,0.02399,0,5.01,1,1,1,1,0,0,0.8,1.198192411,1.923794941,3.155639062,3.155639062,2.905639062,1.905639062,19.17107858,30.78071905,50.490225,50.490225,46.490225,30.490225,0.299548103,0.480948735,0.788909766,0.788909766,0.726409766,0.476409766,2.801807589,2.076205059,0.844360938,0.844360938,1.094360938,2.094360938,0.299548103,0.480948735,0.788909766,0.788909766,0.726409766,0.476409766,10.71860945,19.4258398,20.66732315,20.66732315,17.66732315,9.789388759,21.96987352,13.73794941,13.71691719,13.71691719,12.21691719,9.966917187,6,3.2,5.333333333,6,1,5,1.9,0.8288,0.25,2.149139864,1.154700538,0,1,1.414213562,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,2.889,5,3,2,0,0,0,0,0,0,21,1.945910149,2.079441542,1.609437912,1.386294361,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,17.07,101.1901498,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,86.07316494,5.379572809,10.67917749,1.779862916,2.347570326,2.347570326,0,32,3,1.007,20,1.2268,2.113364829,2.896846543,3.596214336,4.937497236,5.820562243,0,0,0,0,82.78024119,88.02694618,76.67620692,85.98988054,43.21387058,5.914063755,0,0,0,0,280.7281514,316.1513677,335.6752916,370.9628544,383.0039444,180.9248692,0,0,0,0,9.137724337,15.4572796,21.78617485,26.07020108,36.59923608,39.10523789,0,0,0,0,2.061570699,2.496831577,2.779517058,3.213775422,3.736094519,2.587897087,0,0,0,0,177.2249115,333.5272639,481.6109711,602.3507378,844.0222224,1076.324703,0,0,0,0,3.395038889,5.309415515,8.049055351,8.752170784,12.6899337,5.820562243,0,0,0,0,0.444136,0.564662815,0.65641917,0.747552038,0.900452847,0.596025574,0,0,0,0,332.9460549,139.6485682,11.64907859,183.6545531,-77.03078325,-20.29632305,149.2915018,216.6793515,31.94540164,0.644494121,0.270322114,0.022549487,0.355505879,-0.149110903,-0.039288229,172.0001344,72.14253524,6.017921083,94.87605379,-39.79414946,-10.48509283,0.308901391,0.714009424,7.800769341,30.39959571,474.0247053,42.57590266,0.91758449,0.08241551,382.2140291,19.55029486,7.257196369,479.08439,21.88799648,7.824753652,582.7530733,24.14027906,8.352725147,1.656069001,1.452219181,315.9669092,269.5052394,59.86183295,1.172396165,5.278269869,4.502121403,3.544697262,3.285516602,6.459304838,0.965993669,2.80222057,3.881220796,1.659208075,9.116828954,3.023478043,0.137325654,1.998056806,7.579451155,2.085600173,1.105747281,0.045295356,1.694936254,4.02E-13,1.84E-47,1.62E-103,2.77E-181,9.08E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,0.251664719,3.88108081,0.108734846,3.337172573,0.110200318,0.002843412,0.358811407,0.358102133,0.886687385,0.013053462,3.67E-04,0.011937575,2.83E-15,1.30E-49,1.14E-105,1.95E-183,6.40E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765026468,3.88097264,0.371109428,3.589299283,0.342752115,0.014492837,0.66344821,1.23111329,1.121989236,0.09468392,0.00344879,0.124398732,2.95E-14,1.35E-48,1.19E-104,2.03E-182,6.67E-282,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650178473,3.881263869,1.545147685,9.009618661,2.966716283,0.124042604,1.912250385,7.17548485,2.00890587,0.988826592,0.040390678,1.510157688,3.58E-13,1.64E-47,1.45E-103,2.46E-181,8.09E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,1.11993283,3.88094414,0.567287792,3.973984989,0.546604501,0.027044658,0.882765729,1.945293964,1.286305134,0.192708715,0.007372114,0.270210668,6.41E-14,2.93E-48,2.59E-104,4.41E-182,1.45E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,3.384110175,3.881356617,2.103259019,11.74455305,4.367864151,0.194991506,2.388236595,10.30949408,2.373489365,1.595453589,0.065901129,2.471905234,5.86E-13,2.68E-47,2.37E-103,4.03E-181,1.32E-280,0,0,0,0,0,0,0,0,0,0,0,0,0,1.722243656,3.584119896,0.817405473,8.375145509,2.503703049,0.052386787,1.387716089,4.538667569,1.886527065,0.390833769,0.015285688,0.564142984,1.34E-13,6.13E-48,5.41E-104,9.21E-182,3.02E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,4.298308944,0.76307367,0.415503769,0.784808857,0.139326182,0.571478487,0.435097948,0.499980711,5.476886383,5.382949933,12.22265809,0.677213286,1.506557147,3.146876468,0.705610871,0.077800227,0.800673339,0.179531614,0.318767766,0.338503802,0.017529319,3.930287567,2.520194637,6.623235294,0.701010008,0.674800888,3.661752897,0.616844975,0.21380166,0.815099563,0.137308574,0.415474893,0.28634611,0.13238094,4.492399532,3.173505204,8.148825789,0.722649345,0.834201944,4.210494886,0.806288475,0.397925649,0.777603169,0.148907074,0.548365433,0.488232146,0.458571628,5.414709011,5.391180277,12.15679653,0.666404754,1.495169208,3.912083873,0.59247624,0.280208577,0.817611911,0.123825472,0.473344335,0.263103145,0.227387279,4.78476869,3.580033123,9.014273944,0.726417867,0.963834759,4.362984672,0.797203455,0.439055472,0.779209655,0.142376991,0.588812263,0.474806345,0.558267188,5.599243599,5.743795286,12.87015568,0.668814482,1.621885796,4.217789496,0.812485802,0.397230173,0.777113817,0.149697832,0.550297913,0.495979347,0.456970088,5.427505471,5.425071209,12.21384241,0.665670726,1.503247348 +UMLYSI0374,L,3-pentanone,CCC(=O)CC,saturated alkanone,C5H10O,96-22-0,7288,PubChem,,21.1,0,-0.0916,0.00839056,26.2418,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,890.291353,994.748085,870.627836,366.161209,84.835296,9.144576,0,0,2644.81273,3144.163273,3730.992294,3300.918427,2187.299827,1061.424631,279.7536999,0,0,118.238936,111.372268,196.083876,224.83136,162.4177,123.32736,60.466176,0,0,19.03383305,23.6303831,30.19190358,26.8663499,18.91140264,12.01662072,4.001516144,0,0,2668.599586,2191.74623,4310.126609,5051.249777,3508.796101,3137.747111,1664.258868,0,0,74.27777778,40.66666667,61.58333333,90,67,24,9,0,0,61.71557788,59.35275687,36.84252167,29.02092787,17.43624805,4.713072,1.016064,0,0,165.3007956,209.6108849,138.1848998,110.0306142,104.1571346,58.96803508,31.08374443,0,0,7.3899335,7.424817867,7.262365778,7.494378667,7.73417619,6.85152,6.718464,0,0,1.189614566,1.575358873,1.118218651,0.895544997,0.900542983,0.66759004,0.444612905,0,0,166.7874742,146.1164153,159.6343189,168.3749926,167.0855286,174.3192839,184.917652,0,0,4.642361111,2.711111111,2.280864198,3,3.19047619,1.333333333,1,0,0,0.121814595,-0.04685184,-0.00114821,0.022286212,-0.041555333,0.00141182,0.004950053,0,0,523.7576238,-43.92541314,19.66342755,-17.48234203,-448.16645,55.73680828,172.2951575,0,0,766.4429154,-94.95499335,-135.8422519,3.347559966,-429.21663,24.45906343,248.9857942,0,0,1.03666,-0.00156025,0.12109675,-0.2438865,-0.64215875,0.1301865,0.11799225,0,0,3.391946473,-0.464107523,-1.103534916,-0.035208955,-0.953855384,-0.072147893,0.932881435,0,0,18.82152525,-2.587911668,-6.817934048,-0.398101339,-3.739946444,-0.655669353,4.788800225,0,0,33.10416667,-0.94140625,1.126302083,-4.4453125,-18.52213542,2.9453125,3.28515625,0,0,0.007613412,-0.003123456,-4.25E-05,7.43E-04,-0.001978825,7.84E-05,5.50E-04,0,0,32.73485148,-2.928360876,0.728275094,-0.582744734,-21.34125953,3.096489349,19.14390639,0,0,47.90268221,-6.33033289,-5.031194516,0.111585332,-20.43888714,1.358836857,27.66508825,0,0,0.06479125,-1.04E-04,0.004485065,-0.00812955,-0.030578988,0.007232583,0.01311025,0,0,0.211996655,-0.030940502,-0.040871664,-0.001173632,-0.045421685,-0.004008216,0.103653493,0,0,1.176345328,-0.172527445,-0.252516076,-0.013270045,-0.178092688,-0.036426075,0.532088914,0,0,2.069010417,-0.062760417,0.041714892,-0.148177083,-0.882006448,0.163628472,0.365017361,0,0,-0.41025705,-0.005585705,0.097574349,-0.259913078,0.010302143,0.072241713,0,0,-0.089456978,0.022247698,-0.017801967,-0.651943069,0.094593047,0.584817267,0,0,-0.132149863,-0.105029495,0.002329417,-0.426675213,0.028366613,0.577526914,0,0,-0.001605412,0.06922331,-0.125472961,-0.471961694,0.111629014,0.202345996,0,0,-0.145948065,-0.192793908,-0.005536087,-0.214256612,-0.018906979,0.488939285,0,0,-0.146663943,-0.21466152,-0.011280739,-0.151394904,-0.030965461,0.452323736,0,0,-0.030333543,0.02016176,-0.071617369,-0.426293866,0.079085379,0.176421229,0,0,1.112294186,0.753907397,1.322330111,1.939287326,0.142508351,0,0,0,1.170927332,0.915782169,1.0221277,1.744973288,0.5778723,0,0,0,1.491123972,1.167254118,0.865674557,1.282342121,0.734325443,0,0,0,0.512040592,0.530805128,1.542806706,2.413046294,0.057193294,0,0,0,1.594610489,1.277272841,0.858225113,1.071227362,0.741774887,0,0,0,1.599979575,1.293653979,0.873848345,1.037403276,0.726151655,0,0,0,0.5437382,0.570589469,1.496538704,2.389643082,0.075519194,0,0,0,19.29932374,9.774661868,15.01072985,19.4659904,3.244331734,9.774820931,0.25,3.33E-16,5.55E-17,-21.38291297,3000004.229,500000.7049,8.948474554,19.30096098,9.775113281,15.01118126,19.46713803,3.244523006,9.775272238,0.249265579,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,20.7602287,10.18061711,15.41668509,20.49423238,3.415705396,10.1807103,-0.398994478,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,19.30267932,9.775587063,15.01165504,19.46834252,3.244723754,9.775745909,0.2484948,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,22.32264738,10.62017656,15.85624454,21.60111787,3.600186312,10.62023331,-1.082294264,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,19.47089839,9.822016289,15.05808427,19.58632118,3.264386864,9.8221648,0.173134186,4.44E-16,7.40E-17,-21.21030373,3000004.229,500000.7049,8.948474554,21.00213768,10.5864852,16.55441543,21.22478318,3.537463863,10.58656669,0.667936508,5.55E-16,9.25E-17,-21.07641759,3000004.121,500000.6869,8.948474532,0,11.89,15.99491589,-0.299207371,0.132157162,4.115246586,6.38851633,5,15,14,14,4,1,1,0,0,1,11.89007,3.529364191,2.902564078,2.477573932,1.598026915,1.536231436,0.083923071,0.083923071,0.083923071,1.81693578,1.563026335,1.040992466,0.769718516,0.185366199,0.083923071,0.083923071,0.083923071,3.480718849,2.950308951,2.395804565,1.695309721,1.454167953,0.270913902,0.270913902,0.270913902,1.78899117,1.473453684,0.994195658,0.630337185,0.290877631,0.270913902,0.270913902,0.270913902,3.630111587,3.155598408,2.698537678,2.090117344,1.918490877,0.943918427,0.943918427,0.943918427,1.596575217,1.195492746,0.637635093,0.162386152,0.205569803,0.943918427,0.943918427,0.943918427,3.479566225,2.985267979,2.397059765,1.765276817,1.448674341,0.399277246,0.399277246,0.399277246,1.77469341,1.415133181,0.971268459,0.536857124,0.300544449,0.399277246,0.399277246,0.399277246,3.663832748,3.252217518,2.766423375,2.26277616,2.014962604,1.207644823,1.207644823,1.207644823,1.558123915,1.104407163,0.559045449,0.004703131,0.296626356,1.207644823,1.207644823,1.207644823,4.765436337,3.182088119,3.070113665,2.092021706,1.845131773,0.576923077,0.576923077,0.576923077,1.64035426,1.31731694,0.677590926,0.424851574,0.451475947,0.576923077,0.576923077,0.576923077,0,0,0,1,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.102062073,0,0,0,0.577350269,0.288675135,0,0.204124145,0.102062073,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.322461853,2.325444489,1.245781916,0.788675135,0.25,0,0,0,0.720410309,0.465088898,0.249156383,0.197168784,0.25,0,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,1.3755,25.589,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,29,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,2,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18055556,0.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.414583333,0.802777778,0,0,0,0,0,0,0,0,0,0,3.761574074,0,1.381944444,0,0,0,0,0,0,0.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18055556,0.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305902778,0.401388889,0,0,0,0,0,0,0,0,0,0,1.880787037,0,0.690972222,0,0,0,0,0,0,0.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18055556,0.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,1.880787037,0,0.690972222,0,0,0,0,0,0,0.342592593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18055556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.66666667,2.611111111,0.565972222,10.18055556,0.305902778,0.342592593,2.242791667,1.324074074,3.180555556,6.361111111,1.324074074,3.180555556,6.361111111,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.42,0.49792,0.82778,0.07792,0,-0.07792,0,0.57047,0.14382,0,0.47059,0.17647,0,4.25,0.70833,2.75,0.45833,1.5,0.25,-1.25,-0.20833,0,0,4.0123,0.66872,5.73058,1.71827,0.28638,2.11989,0.35332,2.80805,0.68816,0.11469,0.10595,0.01766,0.10595,0.01766,0,5.01,1,1,1,1,0,0,0.8,1.198192411,1.673794941,2.280639062,2.280639062,2.030639062,1.405639062,19.17107858,26.78071905,36.490225,36.490225,32.490225,22.490225,0.299548103,0.418448735,0.570159766,0.570159766,0.507659766,0.351409766,2.801807589,2.326205059,1.719360938,1.719360938,1.969360938,2.594360938,0.299548103,0.418448735,0.570159766,0.570159766,0.507659766,0.351409766,10.71860945,16.4258398,17.0374325,17.0374325,14.0374325,5.538703846,21.96987352,16.73794941,17.68383437,17.68383437,16.18383437,9.683834373,6,3.2,3,6,1,5,1.9,0.8288,0.25,2.309401077,1,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,2.889,5,4,1,0,0,0,0,0,0,21,1.945910149,2.079441542,1.945910149,0.693147181,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,17.07,101.1901498,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,86.07316494,5.379572809,10.6758508,1.779308466,2.382088123,2.382088123,0,31,4,0.691,20,1.2268,2.113225145,2.881069561,3.66165106,4.849506123,5.576750225,0,0,0,0,82.78024119,87.84321781,90.32024396,72.23614155,24.31059591,5.66633514,0,0,0,0,280.7281514,315.7100173,339.7025475,417.6081892,296.9364431,173.3462787,0,0,0,0,9.137724337,15.45570288,21.67110994,27.91482528,33.27883679,37.46719562,0,0,0,0,2.061570699,2.494368346,2.721343388,3.606202846,3.325208516,2.479495117,0,0,0,0,177.2249115,333.5421404,481.803957,599.2999852,841.1926885,1031.239558,0,0,0,0,3.387355556,5.102432217,8.738726104,10.81632399,6.597152447,5.576750225,0,0,0,0,0.444136,0.564185069,0.654323225,0.847186112,0.737065561,0.571059223,0,0,0,0,361.7357736,150.5273918,8.838467475,112.1228119,-46.65713392,-16.11898578,249.6129617,197.1845258,24.95745325,0.763383391,0.31766311,0.018652121,0.236616609,-0.098462147,-0.034016448,171.411602,71.32869696,4.188183695,53.13035702,-22.10888348,-7.638119799,0.317445579,0.718996088,1.916781192,28.56428822,434.1305692,39.72801619,0.916160607,0.083839393,382.2140291,19.55029486,7.257196369,479.08439,21.88799648,7.824753652,600.3702575,24.50245411,8.436061226,1.82357629,1.82357629,286.2627527,242.3215375,57.34137837,1.181334336,4.992254475,4.225945459,3.401132177,3.18658557,6.373000728,0.999946522,2.80222057,3.881220796,3.389000868,3.431434815,5.005109631,1.493272558,1.524104152,6.853571643,3.786068662,2.422102693,0.664724983,0.398625262,1.69E-17,1.38E-55,2.18E-115,6.62E-197,3.88E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,0.251664719,3.88108081,0.305159989,3.186500485,0.242732081,0.166846517,0.289850225,0.431331026,0.284882348,0.198323918,0.004681716,0.00280755,1.19E-19,9.72E-58,1.53E-117,4.66E-199,2.73E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765026468,3.88097264,0.697310007,2.81279,0.652547998,0.289097433,0.433227179,1.487169917,0.518838251,0.643473091,0.048787062,0.029256839,1.24E-18,1.01E-56,1.60E-116,4.86E-198,2.85E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650178473,3.881263869,3.752644362,3.633910491,5.090024745,1.87524555,1.410138872,6.370168763,3.401668964,2.282861489,0.592257995,0.355167932,1.51E-17,1.23E-55,1.94E-115,5.90E-197,3.46E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,1.11993283,3.88094414,0.875624881,2.700984587,0.954946801,0.286358144,0.563884848,2.287707956,0.822174651,0.951658479,0.105972009,0.063549764,2.69E-18,2.20E-56,3.47E-116,1.06E-197,6.19E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,3.384110175,3.881356617,4.65805531,3.734833751,7.195091052,2.180877781,1.989672439,8.745853301,5.402417605,2.941173488,0.969438904,0.581357482,2.46E-17,2.01E-55,3.17E-115,9.65E-197,5.66E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,1.722243656,3.545758576,5.049745747,5.311822684,5.069256512,3.477163403,0.758959888,3.27646737,1.519819616,1.590931877,0.221247236,0.132678527,5.62E-18,4.60E-56,7.24E-116,2.20E-197,1.29E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,4.234506067,0.837833893,0.415503769,0.771615643,0.152670873,0.610595333,0.514900176,0.499980711,5.487843729,5.655389071,12.61736235,0.657423464,1.62547622,2.737579057,0.636132154,0.077800227,0.793153697,0.184305388,0.255202041,0.296822176,0.017529319,3.451511438,2.003937561,5.590935143,0.689730545,0.569553536,3.496473305,0.626853801,0.21380166,0.806172354,0.144531978,0.41630212,0.288230409,0.13238094,4.337128766,3.073351762,7.879086214,0.70925853,0.83691347,4.109506912,0.854643153,0.397925649,0.766402254,0.159386625,0.57507904,0.535768183,0.458571628,5.362075714,5.487524578,12.24717961,0.649603381,1.569418852,3.821041305,0.648995121,0.280208577,0.804388258,0.136623505,0.497177407,0.308951269,0.227387279,4.750245002,3.732379708,9.177496352,0.706582388,1.033515955,4.301661354,0.8735015,0.439055472,0.76620842,0.155587376,0.630115863,0.559673213,0.558267188,5.614218326,6.029691213,13.29366383,0.64931263,1.748056264,4.110042352,0.858106769,0.397230173,0.766030159,0.159934037,0.575228932,0.540119604,0.456970088,5.365379294,5.500353897,12.26670648,0.649045238,1.572318624 +UMLYSI0375,L,pentanal,CCCCC=O,saturated aldehyde,C5H10O,110-62-3,8063,PubChem,,21.1,0,-0.6823,0.46553329,22.565,16.26993,0,0,16,6,10,0,5,0,1,0,0,0,0,0,0,0,987.449246,890.291353,840.893136,674.488295,477.731566,280.974837,51.429168,0,0,2644.81273,3144.163273,3677.582166,3187.969874,2181.171529,1174.373184,339.2921252,0,0,118.238936,111.372268,196.319496,236.96426,174.07936,111.19446,48.568896,0,0,19.03383305,23.6303831,30.72519438,28.46301417,19.44148531,10.41995645,2.938142673,0,0,2668.599586,2191.74623,4278.377349,5573.453599,4094.498444,2615.543289,1110.305786,0,0,73.75,41.5,57.75,66.5,54.5,44,24,0,0,61.71557788,59.35275687,31.14419022,20.43903924,19.90548192,18.7316558,8.571528,0,0,165.3007956,209.6108849,136.2067469,96.6051477,90.88214705,78.29154562,56.54868753,0,0,7.3899335,7.424817867,7.271092444,7.180735152,7.253306667,7.412964,8.094816,0,0,1.189614566,1.575358873,1.137970162,0.862515581,0.810061888,0.694663763,0.489690445,0,0,166.7874742,146.1164153,158.4584203,168.8925333,170.6041018,174.3695526,185.0509644,0,0,4.609375,2.766666667,2.138888889,2.015151515,2.270833333,2.933333333,4,0,0,0.133190959,-0.027132793,-0.038197529,-0.004917236,0.0018872,0.015508205,-0.013743326,0,0,523.7576238,-43.92541314,-193.4247966,23.63489289,19.12723312,14.61957336,-81.91030153,0,0,766.4429154,-94.95499335,-351.8240056,14.50399435,13.9033117,13.30262905,21.84760616,0,0,1.03666,-0.00156025,-0.06008425,-0.02093975,-0.05685,-0.09276025,-0.2861355,0,0,3.391946473,-0.464107523,-1.562160652,-0.052283467,-0.053678424,-0.055073381,0.491330211,0,0,18.82152525,-2.587911668,-8.477635045,-0.504442235,-0.526885346,-0.549328457,3.235440123,0,0,33.109375,1.506835938,-1.965820313,-1.881835938,-3.2734375,-2.368164063,-8.572265625,0,0,0.008324435,-0.001808853,-0.001414723,-1.49E-04,7.86E-05,0.00103388,-0.002290554,0,0,32.73485148,-2.928360876,-7.163881355,0.716208875,0.796968047,0.974638224,-13.65171692,0,0,47.90268221,-6.33033289,-13.03051873,0.43951498,0.579304654,0.886841937,3.641267694,0,0,0.06479125,-1.04E-04,-0.002225343,-6.35E-04,-0.00236875,-0.006184017,-0.04768925,0,0,0.211996655,-0.030940502,-0.057857802,-0.001584347,-0.002236601,-0.003671559,0.081888368,0,0,1.176345328,-0.172527445,-0.313986483,-0.015286128,-0.021953556,-0.036621897,0.539240021,0,0,2.069335938,0.100455729,-0.07280816,-0.057025331,-0.136393229,-0.157877604,-1.428710938,0,0,-0.217294375,-0.169948268,-0.017899972,0.009446086,0.124198257,-0.275160329,0,0,-0.089456978,-0.218845696,0.021879093,0.024346164,0.029773718,-0.41703922,0,0,-0.132149863,-0.272020649,0.009175164,0.012093366,0.018513409,0.076013858,0,0,-0.001605412,-0.034346344,-0.009793574,-0.036559721,-0.095445244,-0.736044605,0,0,-0.145948065,-0.272918467,-0.007473455,-0.010550171,-0.017318947,0.386271984,0,0,-0.146663943,-0.26691693,-0.012994593,-0.01866251,-0.031131927,0.458402824,0,0,0.048544911,-0.035184311,-0.02755731,-0.065911594,-0.076293849,-0.690420009,0,0,0.919182832,0.812116351,0.728706858,0.912732007,1.286021376,3.17365015,0,0,1.170927332,1.154950236,0.832340418,0.855531925,0.90655324,1.609022505,0,0,1.491123972,1.348195843,0.860786444,0.816418639,0.718809468,0.408285104,0,0,0.512040592,0.624806805,0.737671508,0.985701677,1.531368047,4.07984778,0,0,1.594610489,1.381908394,0.862140889,0.814556278,0.709870136,0.020210666,0,0,1.599979575,1.372984319,0.859300301,0.818462086,0.728618014,7.66E-05,0,0,0.468145352,0.618740496,0.746492771,1.012269939,1.525247758,4.077394998,0,0,21.76354831,11.00677416,18.08579527,21.93021498,3.65503583,11.00682254,0.25,0.092089895,0.015348316,-1.430994037,18.81556297,3.135927162,1.760810607,21.7652938,11.00727969,18.08662849,21.93147085,3.655245142,11.00732804,0.249265579,0.092048678,0.015341446,-1.431262638,18.81528015,3.135880025,1.760801588,23.30938125,11.45519339,18.86597604,23.04338493,3.840564156,11.45522082,-0.398994478,0.053437018,0.00890617,-1.757550933,18.94422825,3.157371375,1.764899584,21.76712571,11.00781025,18.08750308,21.93278891,3.655464818,11.00785857,0.2484948,0.092005415,0.015334236,-1.431544707,18.81498425,3.135830708,1.760792152,24.9429854,11.93034557,19.79488421,24.22145589,4.036909316,11.93036162,-1.082294264,0.008911014,0.001485169,-2.832280345,20.22042786,3.370071309,1.804016024,21.94628526,11.05970972,18.17357525,22.06170805,3.676951342,11.05975476,0.173134186,0.087743844,0.014623974,-1.460000143,18.79067742,3.131779571,1.760016519,24.20889637,12.08367205,20.1539368,24.42794399,4.071323999,12.08369136,0.657142857,0.134444757,0.022407459,-1.203961137,18.66622096,3.111036826,1.756029315,0,11.9887401,16.00592442,-0.389461117,0.206328903,3.36823148,6.459008839,5,15,14,14,4,1,1,0,0,1,11.89007,3.460099744,3.060566894,2.414806426,1.720022973,1.223992148,0.495488347,0.083923071,0.083923071,1.84571649,1.497105088,1.050523394,0.699789755,0.53019748,0.083923071,0.083923071,0.083923071,3.449038164,3.012263518,2.380293457,1.745019917,1.321839236,0.412465662,0.270913902,0.270913902,1.794438034,1.456437169,1.000567616,0.60789589,0.39221263,0.270913902,0.270913902,0.270913902,3.597536015,3.225826028,2.674783312,2.133500401,1.793040344,1.060233618,0.943918427,0.943918427,1.597082118,1.190135295,0.640143801,0.146405261,0.139101672,0.943918427,0.943918427,0.943918427,3.462193151,3.016288776,2.39123326,1.785706117,1.398725787,0.424103116,0.399277246,0.399277246,1.764665082,1.434278401,0.966839688,0.541038093,0.294803193,0.399277246,0.399277246,0.399277246,3.649348938,3.280059711,2.759606218,2.274574117,1.985055166,1.208173581,1.207644823,1.207644823,1.543644904,1.130495883,0.553796302,0.00827229,0.327001836,1.207644823,1.207644823,1.207644823,4.85109553,3.373517368,2.813402949,2.106886083,1.584433428,1.28703125,0.588235294,0.588235294,1.711090962,1.215350931,0.673022043,0.273385933,0.084693209,0.588235294,0.588235294,0.588235294,0,0,1,0,0,1,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.106918903,2.351057332,1.308895192,0.675528666,0.287457479,0.083333333,0,0,0.684486484,0.470211466,0.327223798,0.225176222,0.143728739,0.083333333,0,0,8.423938123,15.76984705,14.97647059,15.2,9.473011976,123.2957964,0.526496133,0.985615441,0.936029412,0.95,0.592063249,7.705987275,1.3755,25.589,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,4,1,0,1,0,0,0,0,0,0,0,0,1,0,3,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.56375,0.961805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.584097222,0,0,1.217638889,0.401388889,0,0.584097222,0,0,0,0,0,0,0,0,2.072916667,0,2.901527778,0,0.961805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.56375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.56375,0.961805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.584097222,0,0,0.244722222,0.401388889,0,0.584097222,0,0,0,0,0,0,0,0,2.072916667,0,0.732638889,0,0.961805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.56375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.56375,0.961805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.584097222,0,0,0.401388889,0.401388889,0,0.584097222,0,0,0,0,0,0,0,0,2.072916667,0,1.12375,0,0.961805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.56375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.5,2.583333333,0.698263889,9.56375,0.244722222,0.732638889,2.563341944,1.038194444,2.56375,5.273333333,1.038194444,2.56375,5.273333333,2.83333,0.47222,0,0.02778,0.49792,0.82778,0.42,0.49792,0.82778,0.07792,0,-0.07792,0,0.57047,0.14382,0,0.29412,0,0,4.25,0.70833,2.75,0.45833,1.5,0.25,-1.25,-0.20833,0,0,3.74169,0.62361,5.31294,1.57126,0.26188,2.17274,0.36212,2.91421,0.74147,0.12358,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5.01,1,1,1,1,0,0,0.8,1.198192411,2.091917187,2.952819531,3.030639062,2.77439747,2.202819531,19.17107858,33.47067499,47.2451125,48.490225,44.39035953,35.2451125,0.299548103,0.522979297,0.738204883,0.757659766,0.693599368,0.550704883,2.801807589,1.908082813,1.047180469,0.969360938,1.22560253,1.797180469,0.299548103,0.522979297,0.738204883,0.757659766,0.693599368,0.550704883,10.71860945,18.22125574,19.08889467,17.27468531,17.53505458,11.46291655,21.96987352,15.45225468,15.35845859,17.00921015,12.37198735,8.108458593,6,5,5.333333333,6,1,5,1.9,0.8288,0,1.807204007,0,0,3.965406457,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.423,0.415,0.622,0.171,2.912,4,3,2,1,0,0,0,0,0,21,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,0,3.295836866,1.238095238,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.6,4,0.8,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,17.07,101.1901498,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,86.07316494,5.379572809,10.83915043,1.806525072,2.388325215,2.388325215,0,35,3,1.725,18,1.227733333,2.127748496,2.857703642,3.570544889,4.911811734,5.855708459,0,0,0,0,82.91488771,73.81537778,70.57193572,91.99543293,108.0666341,54.75223857,0,0,0,0,281.1234338,309.3511704,301.822852,379.4384412,413.4609751,346.5012166,0,0,0,0,9.144762152,15.52985964,20.60939241,26.26397951,36.74803805,48.23153774,0,0,0,0,2.064173673,2.536387586,2.598046932,3.211427203,3.538403491,2.894689656,0,0,0,0,177.3432529,333.8254198,479.6277381,597.7029372,851.3941487,1083.684954,0,0,0,0,3.452166667,4.692261506,6.019368462,9.066034938,15.60304328,25.23339222,0,0,0,0,0.444661,0.562210412,0.59561328,0.761032316,0.916374086,0.930337016,0,0,0,0,261.3211785,123.0318519,11.08511224,87.80635293,-41.33984956,-18.13146977,173.5148256,164.3717014,29.21658201,0.748497769,0.352398023,0.031750897,0.251502231,-0.118409022,-0.051933658,91.23441796,42.95380673,3.870117871,30.65561524,-14.43287963,-6.330195283,0.254211087,0.643238994,6.891341651,33.74307531,296.6694627,52.45806869,0.849745254,0.150254746,381.0567412,19.52067471,7.249864389,477.927102,21.86154391,7.818448017,539.1464997,23.21952841,8.138960298,2.263297839,2.263297839,417.1791077,400.6799711,29.85768437,1.041177842,13.97225259,13.41965995,3.53222801,3.602632437,6.724527782,0.866559495,2.80222057,3.83774441,2.346182421,12.45900789,5.960014564,0.420638129,2.150115831,6.970259092,3.628928505,0.896612682,1.122255469,0.012931055,0.001012485,1.53E-26,4.45E-71,2.50E-137,2.71E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,0.251664719,3.837622818,0.203190734,3.264878636,0.043706156,0.465260222,0.259160136,0.186613699,1.057446897,0.052346466,0.761676876,0.001445565,1.13E-04,1.71E-27,4.98E-72,2.80E-138,3.03E-226,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765026468,3.837513419,0.506294649,3.856889523,0.441579514,0.254845751,0.630865439,0.864882241,1.290640494,0.184070249,0.489046173,0.002504098,1.96E-04,2.96E-27,8.62E-72,4.85E-138,5.25E-226,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650178473,3.837789502,2.505232942,11.58323931,5.312036344,0.528191886,2.078884599,6.30506458,4.024536863,0.830561211,1.448502036,0.016241887,0.001271719,1.92E-26,5.59E-71,3.14E-137,3.41E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,1.11993283,3.837483325,0.668613547,4.651269647,0.954971492,0.179242454,0.877697885,1.54024263,1.386360997,0.286552133,0.365607519,0.00247952,1.94E-04,2.93E-27,8.54E-72,4.80E-138,5.20E-226,0,0,0,0,0,0,0,0,0,0,0,0,0,3.384110175,3.837871739,3.1487981,16.56178492,8.687161223,0.526356224,2.615939435,9.716932506,4.801385466,1.157483192,1.508130748,0.018885914,0.001478744,2.23E-26,6.50E-71,3.65E-137,3.96E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,1.704608967,3.492153999,3.083457549,7.084158197,2.070017235,1.292292886,1.5874789,2.722217683,6.143726096,0.517425003,3.981141286,0.03132095,0.002452387,3.70E-26,1.08E-70,6.06E-137,6.57E-225,0,0,0,0,0,0,0,0,0,0,0,0,0,3.937237563,0.789290303,0.414213384,0.765889075,0.153536283,0.510459741,0.538862806,0.499985443,5.14074125,5.065414532,11.493375,0.648833613,1.54930799,5.12819992,0.269665549,0.077558612,0.936584974,0.049250167,0.865994129,0.062884186,0.017529485,5.47542408,1.801549797,7.384229591,0.904877461,0.946407801,4.091755145,0.488603335,0.21313768,0.853605596,0.101930474,0.551285602,0.20668611,0.132382193,4.79349616,2.975492189,8.195102834,0.780408394,0.890353905,4.167231958,0.759317988,0.396689855,0.782837541,0.142642078,0.571852299,0.498518747,0.458575968,5.323239801,5.11856657,11.69703391,0.674256312,1.528947014,3.749786107,0.592643948,0.279338364,0.811331457,0.128228828,0.462979968,0.304207241,0.227389431,4.621768419,3.435295351,8.677834077,0.716997186,0.99457664,3.987071224,0.823216248,0.437691945,0.759734539,0.156863467,0.523472315,0.586013022,0.558272471,5.247979417,5.387645895,12.07222736,0.639601809,1.667757809,4.215299936,0.757341994,0.395987228,0.785172492,0.14106804,0.58512079,0.49592669,0.456952925,5.368629158,5.161526351,11.7943145,0.677758738,1.538000405 +UMLYSI0376,L,"1,2-diethoxyethane",CCOCCOCC,other multi-oxygen compounds,C6H14O2,629-14-1,12375,PubChem,,20.4,0,0.4204,0.17673616,32.6436,21.499102,0,0,22,8,14,0,6,0,2,0,0,0,0,0,0,0,1391.745624,1370.947551,1365.860006,1107.408133,898.912316,734.492227,445.911314,269.399257,84.835296,3409.055386,4087.781343,4631.21093,4145.827532,3766.421858,3126.071481,2171.066986,1695.218043,1061.424631,166.005024,162.403932,297.8174,302.66194,217.013888,271.038556,181.000136,105.590692,123.32736,24.24438867,29.31368034,35.24905328,33.16864482,31.85718082,27.63435314,18.57594001,15.70279472,12.01662072,3720.515836,3137.47205,6341.328428,6728.134291,4795.822444,6403.796637,4196.196387,2397.690441,3137.747111,55.5,53.25,90,85.75,53.5,67.25,45,25,24,63.26116473,65.28321671,35.94368437,28.39508033,29.96374387,19.85114127,18.57963808,17.95995047,4.713072,154.957063,194.6562544,121.8739719,106.3032701,125.5473953,84.4884184,90.46112441,113.0145362,58.96803508,7.545682909,7.733520571,7.8373,7.760562564,7.233796267,7.325366378,7.541672333,7.039379467,6.85152,1.102017667,1.39588954,0.927606665,0.850478072,1.061906027,0.746874409,0.773997501,1.046852981,0.66759004,169.1143562,149.4034309,166.8770639,172.5162639,159.8607481,173.0755848,174.8415161,159.8460294,174.3192839,2.522727273,2.535714286,2.368421053,2.198717949,1.783333333,1.817567568,1.875,1.666666667,1.333333333,0.334134114,-0.065494124,-0.158397619,0.054407818,0.013995727,-0.006366541,-0.033358614,0.011701508,0.010693448,756.9471251,8.874414868,-215.7851148,-101.58704,-139.8810939,90.81197153,-77.4726101,-169.4712472,54.6652562,984.5731867,-219.9866472,-245.2022578,207.6309535,-411.2256341,91.9840173,171.1321269,-297.708884,-6.990828279,1.975697455,0.027826612,-0.80398724,-0.135692397,0.144038744,-0.120494446,-0.545391405,0.055606645,0.217491174,4.276936093,-1.759795037,-1.112340918,2.178823106,-2.224575341,0.054629809,1.448078889,-1.209273483,-0.249630677,23.90632958,-10.92461568,-6.444051177,13.99874563,-12.6855382,-0.403974998,8.818799661,-6.309393084,-1.642375072,11.81818182,-0.871900826,-3.640495868,-1.67768595,0.338842975,1.214876033,-3.165289256,-0.171487603,0.55785124,0.015187914,-0.003118768,-0.004168358,0.001395072,4.67E-04,-1.72E-04,-0.001389942,7.80E-04,5.94E-04,34.4066875,0.422591184,-5.678555652,-2.604795898,-4.662703128,2.454377609,-3.228025421,-11.29808315,3.036958678,44.75332667,-10.47555463,-6.452690996,5.323870603,-13.70752114,2.486054522,7.130505286,-19.84725893,-0.388379349,0.08980443,0.001325077,-0.021157559,-0.003479292,0.004801291,-0.003256607,-0.022724642,0.00370711,0.012082843,0.194406186,-0.083799764,-0.029272129,0.055867259,-0.074152511,0.001476481,0.06033662,-0.080618232,-0.013868371,1.086651345,-0.520219794,-0.169580294,0.358942196,-0.422851273,-0.010918243,0.367449986,-0.420626206,-0.09124306,0.537190083,-0.041519087,-0.095802523,-0.043017588,0.011294766,0.032834487,-0.131887052,-0.011432507,0.030991736,-0.205345366,-0.274452325,0.091854104,0.030716808,-0.011329315,-0.091516336,0.051363243,0.039115343,0.01228224,-0.165042207,-0.075706093,-0.13551735,0.071334319,-0.093819709,-0.328368813,0.088266523,-0.234073205,-0.144183494,0.118960332,-0.306290552,0.055550161,0.159329056,-0.443481198,-0.008678223,0.014755138,-0.235595939,-0.038742991,0.05346386,-0.036263319,-0.25304589,0.041279808,0.13454618,-0.431055027,-0.150572006,0.287373876,-0.381430822,0.007594827,0.310363686,-0.414689645,-0.071337087,-0.478736622,-0.156057686,0.330319562,-0.389132426,-0.010047605,0.338148927,-0.387084788,-0.08396719,-0.077289377,-0.178340081,-0.080078895,0.021025641,0.061122661,-0.245512821,-0.021282051,0.057692308,1.202717442,1.813504327,1.436545563,0.457801629,0.890582933,1.318903316,0.084405885,0.066617062,1.161600754,1.29822056,1.143805234,1.022328683,0.802818808,1.059231156,1.119578944,0.559789472,1.670560671,1.1105572,0.720673205,1.465017326,0.764951727,0.622627185,1.600583802,0.800291901,0.918632555,1.769563448,1.562781632,0.367736264,0.918914248,1.519510739,0.084027035,0.042013518,1.999519705,1.114446197,0.518338578,1.605792007,0.772618342,0.423020103,1.647200201,0.823600101,2.065827746,1.141677196,0.492586026,1.603459843,0.780954167,0.400233181,1.600763877,0.800381938,1.036538462,1.613259109,1.480769231,0.473846154,0.84043659,1.44375,0.325769231,0.296153846,36.37674493,18.43837246,29.3267766,36.75174493,4.593968116,18.4383725,0.5,3.89E-16,4.86E-17,-28.38723008,29.93047566,3.741309458,2.719101771,36.39814645,18.4483388,29.343304,36.77204482,4.596505602,18.44833884,0.498531158,5.55E-17,6.94E-18,-29.9439582,29.93859887,3.742324859,2.719318864,55.34774121,27.27487613,44.04158661,54.74924949,6.843656187,27.27487613,-0.797988956,0,0,0,37.16496222,4.645620278,2.892293153,36.4206077,18.45879865,29.36065007,36.7933499,4.599168738,18.45879869,0.4969896,8.88E-16,1.11E-16,-27.72588722,29.94712488,3.743390609,2.719546658,75.3873564,36.61138393,59.64801171,73.763915,9.220489375,36.61138393,-2.164588529,5.55E-17,6.94E-18,-29.9439582,44.6361729,5.579521613,3.038835666,38.61779675,19.48203256,31.05875846,38.87749803,4.859687254,19.48203257,0.346268372,1.11E-16,1.39E-17,-29.38944046,30.78344081,3.847930101,2.741581527,31.21111427,16.0738111,25.70927769,31.91349522,3.989186903,16.07381155,0.936507937,2.78E-16,3.47E-17,-28.65640787,25.31037067,3.163796334,2.584971376,0,11.89,15.99591765,-0.379573217,0.1196319,4.649675583,5.990958307,7,21,21,21,7,0,0,0,0,0,19.136898,3.41770231,3.172455549,2.853971293,2.239576122,1.827086203,1.540663722,0.759365034,0.676621382,1.726992913,1.644823083,1.485995631,0.91873748,0.832530046,0.710766092,0.083923071,0.083923071,3.318825383,3.12775837,2.896621668,2.131040311,1.851641359,1.633691748,0.504254201,0.492219659,1.731970722,1.598262075,1.407367029,0.871126773,0.717831527,0.574412952,0.270913902,0.270913902,3.549003746,3.351349403,3.098811323,2.510543784,2.234254719,2.032267485,1.140093621,1.130901508,1.465889046,1.324642778,1.131906144,0.434878424,0.264848926,0.100224144,0.943918427,0.943918427,3.305042093,3.137054434,2.928710115,2.128049411,1.898822588,1.701876156,0.440187641,0.439778294,1.733961275,1.571100425,1.353254441,0.841594724,0.64147132,0.48199603,0.399277246,0.399277246,3.581737805,3.412380192,3.191577099,2.595636008,2.379498381,2.204600294,1.208515503,1.208515314,1.424338331,1.257748772,1.04519319,0.337592055,0.119279746,0.066332581,1.207644823,1.207644823,3.675086759,3.446440164,3.023231011,2.658497921,2.152135229,1.804149389,1.323204777,1.215737276,1.510918608,1.379441663,1.256862242,0.543503367,0.4570439,0.350712746,0.6,0.6,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.644923706,3.068914101,1.39384685,0.780256758,0.406526265,0.159517797,0.083333333,0.041666667,0.705615463,0.4384163,0.232307808,0.156051352,0.101631566,0.053172599,0.041666667,0.041666667,11.22239284,21.87618354,20.77647059,21.12,12.55036048,170.7641329,0.510108765,0.994371979,0.944385027,0.96,0.570470931,7.762006042,1.0594,32.986,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.02111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.78,0,0,0,0,0,0,0,0,0,0,0,3.956241497,0,3.022647392,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.02111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.010555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.338888889,0,0,0,0,0,0,0,0,0,0,0,1.978120748,0,0.726527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.010555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.010555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561111111,0,0,0,0,0,0,0,0,0,0,0,1.978120748,0,0.784795918,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.010555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17,2.125,0.561111111,5.010555556,0.21,0.726527778,3.16601237,0.773472222,1.510555556,6.042222222,0.773472222,1.510555556,6.042222222,3.66666,0.45833,0,0.04167,0.51515,0.89167,0.42308,0.51515,0.89167,0.09207,0,-0.09207,0,0.51402,0.20027,0,0.27273,0,0,4.5,0.5625,4.5,0.5625,0,0,-4.5,-0.5625,0,0,5.87693,0.73462,7.95768,2.08075,0.26009,2.85747,0.35718,3.91421,1.05674,0.13209,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7.02,2,2,2,2,0,0,1,1.240670532,1.49111485,2.299896391,2.663532755,2.663532755,2.663532755,27.2947517,32.8045267,50.59772061,58.59772061,58.59772061,58.59772061,0.278212705,0.334373296,0.515737562,0.597280771,0.597280771,0.597280771,3.218761087,2.968316769,2.159535227,1.795898864,1.795898864,1.795898864,0.282463768,0.339482489,0.523617983,0.606407165,0.606407165,0.606407165,11.58313238,14.5884642,17.40215175,17.76863358,17.76863358,17.76863358,29.24518972,25.34730175,23.6666091,22.99834493,22.99834493,22.99834493,8,7,7.2,8,0,2,1.9,1.0714,0.142857143,2.746356192,0,0,2.525064636,0,0,0,0,0,0,0,0.333333333,0,0,0,0,0,0,0.003,0.507,0.516,0.497,0.068,3.488,6,5,4,3,2,1,0,0,0,36,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,3.610917913,1,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.714285714,7,1,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,18.46,129.9128199,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,118.0993797,5.368153622,14.83110795,1.853888494,5.670495129,5.670495129,0,84,5,0.676,26,1.226619048,2.078856445,2.799834696,3.661753713,4.678431246,5.763121484,7.001788171,7.768721721,8.981563783,0,91.68814592,81.96236306,95.38515094,133.8539458,110.9560114,123.8765689,139.1563478,39.74944082,9.125843623,0,258.1229394,267.5494463,327.3673645,519.2617653,433.0104212,570.4582655,835.0749634,481.7508754,279.1806332,0,9.601408614,16.39321582,21.87546983,26.82621165,34.56206453,43.92755898,49.40956613,53.34037773,60.34231294,0,1.790702393,1.99903652,2.531512588,4.227794854,3.686057342,4.73126428,7.613710493,5.375395795,3.993319164,0,182.1537303,344.330016,480.389193,573.6887653,802.9677412,1000.736932,1110.157282,1345.251069,1660.849686,0,3.272321429,5.09285074,6.455705488,7.042272358,9.004548211,11.3579639,11.98798628,10.64094726,8.981563783,0,0.428646786,0.515532777,0.627047453,0.962266999,0.910428448,1.155458549,1.630597085,1.190735338,0.919712131,0,444.488662,373.4929102,17.67332508,115.1169951,-96.72998477,-16.11957685,329.3716669,470.2228949,33.79290193,0.794289079,0.667421613,0.031581748,0.205710921,-0.172853837,-0.028805243,248.7383698,209.0087454,9.890092692,64.42012168,-54.13064669,-9.020606397,0.08386858,0.450534664,0.060663736,9.456237474,525.9721179,33.63353916,0.939897786,0.060102214,576.964303,24.02008125,8.324975831,712.5828082,26.69424672,8.931925941,890.6173193,29.84321228,9.62122517,2.906045688,2.906045688,892.4545137,869.9470485,42.56609455,1.025872224,20.96632362,20.43755852,4.132249565,5.395814498,9.579619195,0.775379639,3.904608132,4.376675994,7.959338979,10.18154503,6.087385651,2.181655193,6.631013629,11.01261909,1.113916166,3.570071255,5.935101112,3.932693087,5.694231707,3.224592352,0.924886177,0.119423262,0.754174862,1.848036366,4.23E-08,3.25E-37,4.82E-88,1.38E-160,7.60E-255,0,0,0,0,0,0,0,0.327687182,4.884708757,0.799334272,1.438653258,0.207765228,2.626663863,0.430262952,1.02932989,0.094173713,0.129103222,1.397635546,0.406387046,2.148163574,0.091210624,0.055762795,0.002932748,0.063274605,0.013015871,2.98E-10,2.29E-39,3.39E-90,9.70E-163,5.35E-257,0,0,0,0,0,0,0,1.057812794,3.93977504,1.524408498,2.64210169,0.636086733,1.865812102,1.472118534,1.596862931,0.302226189,0.52895847,1.689374797,0.725131164,2.871980817,0.412655444,0.191538268,0.010717457,0.204270041,0.135635414,3.10E-09,2.39E-38,3.54E-89,1.01E-161,5.58E-256,0,0,0,0,0,0,0,3.685631713,4.882875525,9.497226996,9.856165491,5.998427361,2.647323357,6.172217473,10.19332544,1.05179439,3.252411385,5.866176133,4.820350678,5.477140115,2.920219738,0.856951349,0.10663383,0.71186711,1.646567131,3.77E-08,2.90E-37,4.29E-88,1.23E-160,6.77E-255,0,0,0,0,0,0,0,1.559021211,3.580699265,1.673707337,3.622052058,1.021353927,1.699308379,2.253785379,2.434326908,0.444990609,0.8932671,2.089556914,0.747255789,3.368861888,0.727781129,0.297105021,0.020810213,0.301068499,0.294618243,6.74E-09,5.18E-38,7.68E-89,2.20E-161,1.21E-255,0,0,0,0,0,0,0,4.715379796,4.69737043,11.41861281,12.82301814,8.881190155,2.467603066,8.419644354,15.41079775,1.345314916,4.86779753,7.541590647,5.739066544,6.498028526,4.479338342,1.193140486,0.17320097,0.910834293,2.695187359,6.17E-08,4.74E-37,7.03E-88,2.01E-160,1.11E-254,0,0,0,0,0,0,0,2.409701506,5.710589289,8.854852994,6.400446608,3.608255019,4.151303424,3.451385635,5.272035444,0.802812037,1.528483289,4.593446695,4.66196177,4.756068462,1.321232046,0.55725943,0.045268669,0.542921306,0.665293092,1.52E-08,1.17E-37,1.73E-88,4.96E-161,2.74E-255,0,0,0,0,0,0,0,9.42194049,0.713219578,0.452338377,0.889911865,0.067364315,0.585746043,0.519664513,0.545435764,10.58749845,11.30443428,24.931607,0.834867798,1.65084632,7.281752432,0.275466863,0.084882344,0.952846845,0.036045956,0.348645221,0.077775638,0.019206643,7.642101638,2.647355982,10.45972154,0.929270267,0.445627503,8.550118695,0.4665522,0.2402326,0.923647816,0.050400461,0.481840277,0.223203294,0.153844021,9.256903494,6.155174974,16.37038473,0.885471724,0.858887591,9.182249058,0.684812868,0.429387129,0.891787937,0.066509616,0.556040439,0.480030494,0.491490111,10.29644905,10.5249117,23.52139955,0.837681905,1.527561044,9.068488079,0.55790357,0.31659531,0.912048675,0.056110259,0.542553539,0.318143357,0.26719338,9.942986958,8.107012319,19.65176319,0.868073012,1.127890276,9.46753173,0.738467214,0.47452836,0.886429243,0.069141457,0.591421181,0.557135793,0.600262325,10.6805273,11.83449773,25.83267193,0.829643864,1.748819299,9.327282751,0.695842962,0.438186423,0.891597787,0.06651584,0.573821844,0.495377161,0.511840414,10.46131214,10.88232167,24.18760569,0.837396681,1.581039419 +UMLYSI0377,L,tetrahydrofuran,C1CCOC1,cyclic saturated ethers,C4H8O,109-99-9,8028,PubChem,,20.3,0,-0.7069,0.49970761,16.8667,13.176344,0,0,13,5,8,0,4,0,1,0,0,0,0,0,0,0,841.152997,913.977045,1030.977621,221.985792,12.192768,0,0,0,0,2159.128339,2793.90264,3705.238606,2077.898852,373.0049332,0,0,0,0,97.261492,99.630372,192.859428,203.917824,80.621568,0,0,0,0,15.35570724,19.95373448,28.32543528,20.83695852,5.335354858,0,0,0,0,2171.969926,1912.050107,4004.948013,4797.219504,2219.011824,0,0,0,0,29.25,29.25,53.25,44,12,0,0,0,0,64.70407669,70.30592654,41.23910484,7.928064,1.016064,0,0,0,0,166.0867953,214.9155877,148.2095442,74.21067329,31.08374443,0,0,0,0,7.481653231,7.663874769,7.71437712,7.282779429,6.718464,0,0,0,0,1.181208249,1.534902652,1.133017411,0.74417709,0.444612905,0,0,0,0,167.0746097,147.0807774,160.1979205,171.329268,184.917652,0,0,0,0,2.25,2.25,2.13,1.571428571,1,0,0,0,0,0.166861775,-0.030290087,-0.061106998,-0.017764016,0.025730214,0,0,0,0,441.1976548,25.77965908,-198.9386779,-294.6365429,247.1967344,0,0,0,0,616.1115392,-56.84338354,-230.9159335,-359.8460292,339.5495767,0,0,0,0,1.006116923,0.022630154,-0.405269775,-0.320349065,0.199930225,0,0,0,0,2.72042466,-0.59382257,-0.825059763,-1.163071608,1.221741611,0,0,0,0,15.16770937,-3.820079871,-4.293260755,-5.6554302,6.184916144,0,0,0,0,5.692307692,0.307692308,-2.408284024,-2.183431953,1.437869822,0,0,0,0,0.012835521,-0.002330007,-0.00244428,-6.34E-04,0.002144184,0,0,0,0,33.93828114,1.983050698,-7.957547118,-10.52273367,20.59972786,0,0,0,0,47.39319532,-4.372567964,-9.236637339,-12.8516439,28.29579805,0,0,0,0,0.077393609,0.001740781,-0.016210791,-0.011441038,0.016660852,0,0,0,0,0.209263435,-0.045678659,-0.033002391,-0.041538272,0.101811801,0,0,0,0,1.166746874,-0.293852298,-0.17173043,-0.20197965,0.515409679,0,0,0,0,0.437869822,0.023668639,-0.096331361,-0.077979713,0.119822485,0,0,0,0,-0.181528017,-0.190430906,-0.04942761,0.16705083,0,0,0,0,0.058431088,-0.23447113,-0.310054998,0.606976169,0,0,0,0,-0.092261514,-0.194893745,-0.271170657,0.597043476,0,0,0,0,0.022492569,-0.209459038,-0.147829234,0.215274261,0,0,0,0,-0.218283042,-0.157707392,-0.198497514,0.486524561,0,0,0,0,-0.251856083,-0.147187393,-0.173113513,0.441749355,0,0,0,0,0.054054054,-0.22,-0.178088803,0.273648649,0,0,0,0,1.079202865,1.533771392,0.907522794,0.017953309,0,0,0,0,1.046455482,1.296573014,1.142205478,0,0,0,0,0,1.400782816,1.2092156,1.05569405,0,0,0,0,0,0.843451136,1.537371059,1.021459241,0,0,0,0,0,1.621620514,1.204846877,0.957062907,0,0,0,0,0,1.669131046,1.213986238,0.926844302,0,0,0,0,0,0.810810811,1.517837838,1.054054054,0,0,0,0,0,10.66538388,5.457691938,7.897885203,10.81538388,2.163076775,5.469380842,0.25,0.068325039,0.013665008,-1.341739488,11.99443274,2.398886548,1.242221302,10.66925687,5.459261223,7.899720492,10.81881621,2.163763243,5.470927706,0.249265579,0.068101504,0.013620301,-1.343377989,11.99776791,2.399553583,1.242360313,14.18871007,6.894857797,10.13854223,13.94931339,2.789862677,6.897280554,-0.398994478,1.11E-16,2.22E-17,-18.36840028,2000008.112,400001.6225,7.254330897,10.67332191,5.460908357,7.901648432,10.82241879,2.164483759,5.472551358,0.2484948,0.067867019,0.013573404,-1.345102542,12.00128137,2.400256273,1.242506712,18.35299542,8.491770774,13.04482709,18.13653657,3.627307313,8.492317957,-1.082294264,0.131666808,0.026333362,-1.013740366,26.88790134,5.377580269,1.645838211,11.0723239,5.622729045,8.099057465,11.17620442,2.235240883,5.632308805,0.173134186,0.045564955,0.009112991,-1.544308193,12.41358514,2.482717029,1.259395725,9.348668008,4.786433652,7.243934167,9.344295875,1.868859175,4.814501047,0.571428571,0.173198573,0.034639715,-0.87665826,11.43910381,2.287820761,1.218518822,0,11.99693555,15.99741702,-0.402844557,0.06949013,4.99268493,5.798514342,5,13,13,13,5,0,0,0,0,0,10.661656,3.534649867,2.459820995,2.301199922,1.19006016,0.713992824,0.083923071,0.083923071,0.083923071,1.724171079,1.465521747,0.757863935,0.584445752,0.083923071,0.083923071,0.083923071,0.083923071,3.491022994,2.510897621,2.197473417,1.30885592,0.497844042,0.270913902,0.270913902,0.270913902,1.655976007,1.480535746,0.62194973,0.449177799,0.270913902,0.270913902,0.270913902,0.270913902,3.66565947,2.734801489,2.534642776,1.778468089,1.135201186,0.943918427,0.943918427,0.943918427,1.452583651,1.182450458,0.172849073,0.065446663,0.943918427,0.943918427,0.943918427,0.943918427,3.492553132,2.548571849,2.194211739,1.39352899,0.439979725,0.399277246,0.399277246,0.399277246,1.612285733,1.48786325,0.531260614,0.360087334,0.399277246,0.399277246,0.399277246,0.399277246,3.706001995,2.841861735,2.613106294,1.978039144,1.208515408,1.207644823,1.207644823,1.207644823,1.38842831,1.140126443,0.016182923,0.237178465,1.207644823,1.207644823,1.207644823,1.207644823,3.820976301,2.732553622,2.634421018,1.577575475,1.384478255,0.666666667,0.666666667,0.666666667,1.528942797,1.156098215,0.349720363,0.115243296,0.666666667,0.666666667,0.666666667,0.666666667,0,0,0,0,0,2,2,0,0,0,0,0.176776695,0,0,0,0,0.102062073,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.535533906,2.5,1.767766953,1.25,0.883883476,0,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0,0,0,3.236675415,2.077350269,1.319479217,0.827350269,0.510310363,0,0,0,0.647335083,0.415470054,0.263895843,0.165470054,0.102062073,0,0,0,6.88211032,12.8820102,12.25098039,12.44,7.674457485,100.2675413,0.529393102,0.990923861,0.942383107,0.956923077,0.590342883,7.712887794,0.7968,20.053,14,18.61803399,28,5.6,14.000001,1.11E-16,2.22E-17,-18.36840028,19.22543377,3.845086753,1.478117039,20,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.522222222,0,0,0,0,0,0,0,0,0,0,0,0,0,4.555555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,0,0,1.277777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.944444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.5,1.9,0.45,4.944444444,0.277777778,1,2.195777778,0.5,1.444444444,2.888888889,0.5,1.444444444,2.888888889,2.33333,0.46667,0,0.03333,0.51282,0.85333,0.43333,0.51282,0.85333,0.07949,0,-0.07949,0,0.54687,0.16742,0,0,0,0,3,0.6,3,0.6,0,0,-3,-0.6,0,0,2.97125,0.59425,3.75,0.77875,0.15575,1.99071,0.39814,2.5,0.50929,0.10186,-0.086,-0.0172,0,0,0.384615385,5.01,1,1,1,1,0,0,1,1.238901257,1.546593564,2.16197818,2.16197818,2.16197818,2.16197818,16.10571634,20.10571634,28.10571634,28.10571634,28.10571634,28.10571634,0.334798389,0.41794859,0.584248993,0.584248993,0.584248993,0.584248993,2.461538462,2.153846154,1.538461538,1.538461538,1.538461538,1.538461538,0.334798389,0.41794859,0.584248993,0.584248993,0.584248993,0.584248993,11.26589917,14.95820687,15.57840689,15.57840689,15.57840689,15.57840689,18.28260559,15.69636663,16.43374578,16.43374578,16.43374578,16.43374578,3.2,1.44,0.64,0,0,0,1.79,0.6223,0,0,0,0,4.242640687,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.402,0.394,0.462,0.261,2.485,5,5,5,0,0,0,0,0,0,25,1.791759469,1.791759469,1.791759469,1.791759469,0,0,0,0,0,0,3.258096538,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,8.618033989,12,2.4,6.006204681,0,0,0,13.96759521,2.793519041,1.318370009,9.23,74.1741652,3.321928095,3.044522438,3.713572067,4.394449155,5.081404365,5.771441123,6.463029457,7.155396302,7.848153086,8.541105011,62.013073,2.397895273,0,3.433987204,2.397895273,4.615120517,4.262679877,5.860786223,5.888877958,7.147559271,7.6989362,72.05751488,5.54288576,9.6875,1.9375,2.875,2.875,0,15,0,0.526,20,1.32381402,2.215652368,2.898541822,3.911780143,0,0,0,0,0,0,115.8765269,104.3870609,25.86248133,3.974618979,0,0,0,0,0,0,310.2952519,351.3645104,232.8712978,121.5927742,0,0,0,0,0,0,10.49500968,17.4466941,21.35241214,26.28115407,0,0,0,0,0,0,2.077999953,2.586990757,2.279127772,1.739227933,0,0,0,0,0,0,194.4288821,354.6300057,491.0884207,723.3571993,0,0,0,0,0,0,3.430344672,5.088834073,4.799443134,3.911780143,0,0,0,0,0,0,0.497207669,0.627244541,0.540544713,0.400566287,0,0,0,0,0,0,199.1911769,86.73150727,8.874803944,46.87302054,-20.40937649,-16.57440372,152.3181563,107.1408838,25.44920766,0.809508978,0.352475119,0.036067027,0.190491022,-0.0829433,-0.067358047,49.01381706,21.34151872,2.18377151,11.53377218,-5.022016845,-4.078367348,0.129341162,0.874144515,3.284762567,37.83985785,202.7763231,43.28787427,0.824078941,0.175921059,317.3301829,17.81376386,6.820828459,394.8264715,19.87024085,7.336159318,439.0181948,20.95276103,7.600243498,1.452529858,1.426837716,156.8175878,94.22550879,78.70754181,1.664279555,1.992408659,1.197159848,3.028378772,3.135879074,4.651062929,0.483176749,2.231237239,0.812322797,12.61835777,2.899387394,5.638520027,1.891615829,1.674003163,1.062431324,7.07E-06,5.49E-32,9.65E-80,3.44E-149,2.39E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.187282339,0.81215352,2.037431497,2.153566959,1.310254884,0.143719534,0.063959634,0.007482791,4.98E-08,3.86E-34,6.79E-82,2.42E-151,1.68E-242,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.604497109,0.812165166,3.287970162,1.756808447,1.937848912,0.410953975,0.256895821,0.077976448,5.19E-07,4.03E-33,7.08E-81,2.52E-150,1.75E-241,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.106107785,0.81230433,12.13202819,3.039692624,5.552191747,1.898951279,1.52742858,0.946607182,6.30E-06,4.89E-32,8.60E-80,3.06E-149,2.13E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.89090197,0.812179963,4.441292524,1.666644282,2.37640751,0.583968872,0.429634952,0.169375265,1.13E-06,8.75E-33,1.54E-80,5.48E-150,3.81E-241,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.694535288,0.812400372,15.94525144,3.516136819,7.126875068,2.478667973,2.271214005,1.549456236,1.03E-05,8.00E-32,1.41E-79,5.01E-149,3.49E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.48750243,0.812228564,9.382653002,3.347523004,4.493779252,1.559173215,0.894798048,0.472191699,3.14E-06,2.44E-32,4.29E-80,1.53E-149,1.06E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.061267326,0.856730237,0.523837969,0.598886062,0.248916669,0.559535764,0.427460602,0.546683867,3.441835531,3.29450796,7.661415175,0.398329092,1.533680233,1.216742779,1.163562009,0.112371329,0.488127106,0.466792297,0.377133514,0.414505088,0.020576688,2.492676117,1.683233685,4.335000149,0.432379104,0.812215289,1.623051803,0.826078765,0.279427559,0.594838639,0.302752856,0.347152956,0.378481954,0.140138596,2.728558128,2.025123206,5.12832904,0.392257958,0.865773506,1.986954389,0.940102354,0.504087468,0.579093814,0.273990918,0.520023173,0.497365881,0.474622301,3.431144211,3.343433121,7.716182728,0.368640722,1.492011355,1.813764293,0.717696997,0.358110934,0.627693012,0.248374826,0.433264246,0.297789883,0.252550482,2.889572224,2.208277154,5.564014265,0.441539518,0.983604611,2.101306637,0.887612243,0.55279418,0.593302337,0.250616644,0.58148388,0.457981328,0.607129002,3.54171306,3.517402458,8.090157094,0.389953506,1.64659421,2.018505443,0.89947747,0.511691315,0.58854145,0.262263239,0.536613413,0.461119813,0.502649725,3.429674228,3.308706684,7.667407752,0.382812175,1.500382951 +UMLYSI0378,L,isopropyl formate,CC(C)OC=O,saturated esters,C4H8O2,625-55-8,12257,PubChem,,20.3,0,-0.1078,0.01162084,22.8394,13.978344,0,0,14,6,8,0,4,0,2,0,0,0,0,0,0,0,1097.120998,961.876913,1080.158285,680.407271,507.472314,102.858336,0,0,0,2375.519116,2673.115241,3019.319874,2746.240487,1916.20301,678.5842503,0,0,0,110.613208,102.12374,174.16586,179.193764,153.664632,97.137792,0,0,0,15.99891124,18.50417448,22.08001987,21.70177983,16.56793151,5.876285345,0,0,0,2357.421212,1938.599079,3635.765779,3852.523995,3566.027835,2220.611572,0,0,0,83.02777778,46.33333333,77.16666667,59.66666667,61,48,0,0,0,78.36578557,73.99053177,49.09810386,29.58292483,24.16534829,8.571528,0,0,0,169.6799369,205.6242493,137.2418125,119.4017603,91.24776238,56.54868753,0,0,0,7.900943429,7.855672308,7.91663,7.791033217,7.317363429,8.094816,0,0,0,1.142779374,1.423398037,1.003637267,0.943555645,0.78894912,0.489690445,0,0,0,168.3872294,149.1230061,165.2620809,167.5010432,169.8108493,185.0509644,0,0,0,5.930555556,3.564102564,3.507575758,2.594202899,2.904761905,4,0,0,0,0.267564648,-0.137423172,0.034971993,-0.057347728,0.046285608,-0.020269025,0,0,0,542.6447669,-9.890012082,42.5294278,-261.0583824,97.27595114,-140.1793679,0,0,0,629.6301992,-143.8356513,-36.45029401,-141.7884374,-61.48418749,68.74347058,0,0,0,1.814294857,-0.039616653,0.468161796,-0.754786122,0.206536,-0.787442449,0,0,0,2.75181886,-1.091395773,-0.224866702,0.021741649,-0.956426884,0.875038281,0,0,0,15.67280268,-6.74289231,-1.106167952,0.937261567,-6.313391601,5.388788958,0,0,0,35.35912698,-0.434665533,8.453514739,-7.179280045,3.336309524,-21.85544218,0,0,0,0.019111761,-0.010571013,0.001589636,-0.002493379,0.002204077,-0.001689085,0,0,0,38.76034049,-0.76077016,1.933155809,-11.35036445,4.63218815,-11.68161399,0,0,0,44.97358566,-11.06428087,-1.656831546,-6.16471467,-2.927818452,5.728622548,0,0,0,0.12959249,-0.003047435,0.021280082,-0.032816788,0.009835048,-0.065620204,0,0,0,0.19655849,-0.083953521,-0.010221214,9.45E-04,-0.045544137,0.072919857,0,0,0,1.119485906,-0.518684024,-0.050280361,0.040750503,-0.300637695,0.449065746,0,0,0,2.525651927,-0.03343581,0.38425067,-0.312142611,0.158871882,-1.821286848,0,0,0,-0.553115615,0.083175803,-0.130463097,0.11532567,-0.088379374,0,0,0,-0.019627541,0.049874583,-0.292834488,0.119508448,-0.301380582,0,0,0,-0.246017317,-0.036840103,-0.13707412,-0.065100846,0.127377492,0,0,0,-0.023515521,0.164207676,-0.253230631,0.075892111,-0.506358078,0,0,0,-0.427117246,-0.052000876,0.0048092,-0.23170781,0.370982992,0,0,0,-0.463323407,-0.044913796,0.036401086,-0.268549781,0.401135686,0,0,0,-0.013238487,0.152139202,-0.123588927,0.062903316,-0.721115538,0,0,0,1.467928709,0.807794906,1.104429649,0.673996278,1.215802922,0,0,0,0.936377319,0.911731812,1.214925851,0.69877617,1.345950072,0,0,0,1.512288748,0.994933206,1.04857858,0.960266267,0.430734733,0,0,0,0.73392701,0.85042361,1.212069031,0.50609325,2.020340291,0,0,0,1.873609202,1.03212814,0.915509501,1.077164631,0.021590459,0,0,0,1.9272959,1.034083662,0.888905844,1.083310557,7.97E-05,0,0,0,0.564839235,0.571213226,0.613204256,0.822849447,3.308905224,0,0,0,16.66880548,8.584402739,13.06821841,17.00213881,2.833689802,8.584965648,0.5,0.090364646,0.015060774,-1.442341304,17.40333916,2.900556526,1.713997256,16.67926394,8.588897548,13.0765089,17.01161804,2.835269674,8.589457682,0.498531158,0.090087921,0.015014653,-1.444181511,17.40192397,2.900320662,1.713948464,26.00532127,12.60366615,20.58455046,25.47332863,4.245554771,12.60367379,-0.797988956,0.050090839,0.008348473,-1.796350288,18.85901991,3.143169984,1.762194785,16.69024053,8.593615067,13.08521073,17.02156693,2.836927822,8.594172303,0.4969896,0.089797982,0.01496633,-1.446115665,17.40045873,2.900076455,1.713897942,35.94016023,16.88778585,28.66359914,34.49710121,5.749516868,16.88778594,-2.164588529,0.107802338,0.017967056,-1.336473558,21.63439483,3.605732471,1.844570641,17.76523353,9.055750949,13.94013656,17.99607911,2.999346518,9.056086899,0.346268372,0.063674678,0.010612446,-1.652380992,17.34007683,2.890012805,1.711812241,16.47035708,8.478231708,12.45792826,16.83345232,2.805575386,8.478996998,1.089285714,0.296615424,0.049435904,-0.729191309,20.6146505,3.435775083,1.815601207,0,11.98878783,16.00602373,-0.344430479,0.322812716,3.04668806,6.300753608,5,13,12,12,4,1,1,0,0,1,11.619656,3.443546683,2.987702673,2.333552793,1.707543306,0.804520144,0.387419434,0.083923071,0.083923071,1.751608927,1.249629723,1.153031429,0.510264726,0.083923071,0.083923071,0.083923071,0.083923071,3.34801629,2.834422936,2.405454588,1.543725354,0.552215633,0.370577935,0.270913902,0.270913902,1.728436554,1.265459015,1.134540686,0.412722665,0.270913902,0.270913902,0.270913902,0.270913902,3.552971278,3.114580859,2.704236987,1.982066364,1.174992874,1.026593905,0.943918427,0.943918427,1.491075981,0.940207069,0.76031856,0.073158615,0.943918427,0.943918427,0.943918427,0.943918427,3.342924865,2.7835345,2.457539916,1.556013332,0.44959036,0.416760808,0.399277246,0.399277246,1.723348128,1.305469431,1.058262671,0.361695527,0.399277246,0.399277246,0.399277246,0.399277246,3.58391641,3.127264748,2.838982085,2.084660866,1.208716174,1.208017843,1.207644823,1.207644823,1.445660455,0.929561356,0.631337262,0.204352386,1.207644823,1.207644823,1.207644823,1.207644823,4.619560534,3.401251677,2.571572866,2.427957434,1.365536839,0.931012093,0.545454545,0.545454545,1.607386682,0.935209229,0.674669636,0.190534986,0.545454545,0.545454545,0.545454545,0.545454545,0,0,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.23570226,0,0,0,0.288675135,0.288675135,0,0.136082763,0.055555556,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,3.971197119,1.86180732,1.281062598,0.327721083,0.111111111,0,0,0,0.661866187,0.372361464,0.25621252,0.109240361,0.055555556,0,0,0,7.596909424,14.21267298,13.6,13.84,8.154697006,108.4220623,0.542636387,1.015190927,0.971428571,0.988571429,0.582478358,7.74443302,0.5678,22.285,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,0,0,1,0,0,0,0,0,0,0,0,2,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.75416667,0.449074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.828472222,0,0,1.309375,0,0,0.828472222,0,0,0,0,0,0,0,0,3.6,0,0,0,0.449074074,0,0.030092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.393055556,4.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.361111111,0.449074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.828472222,0,0,0.376736111,0,0,0.828472222,0,0,0,0,0,0,0,0,1.8,0,0,0,0.449074074,0,0.030092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.393055556,4.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.393055556,0.449074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.828472222,0,0,0.555902778,0,0,0.828472222,0,0,0,0,0,0,0,0,1.8,0,0,0,0.449074074,0,0.030092593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.393055556,4.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.83333333,2.972222222,0.828472222,9.393055556,0.368055556,0.030092593,1.693730093,1.550925926,2.393055556,6.508333333,1.550925926,2.393055556,6.508333333,2.66666,0.44444,0,0.05556,0.58095,0.95556,0.42,0.58095,0.95556,0.16095,0,-0.16095,0,0.46511,0.24918,0,0.5,0.1875,0,4.75,0.79167,3.25,0.54167,1.5,0.25,-1.75,-0.29167,0,0,3.37503,0.56251,5.69868,2.32365,0.38728,1.6706,0.27843,2.77005,1.09945,0.18324,0.14395,0.02399,0.14395,0.02399,0,5.02,2,2,2,2,0,0,0.75,1.378783493,2.260820318,2.556656707,2.556656707,2.012748861,1.067790312,19.30296891,31.65148445,35.7931939,35.7931939,28.17848406,14.94906437,0.362136843,0.593803405,0.671504695,0.671504695,0.528647553,0.280454629,2.428571429,1.546534604,1.250698215,1.250698215,1.794606061,2.73956461,0.362136843,0.593803405,0.671504695,0.671504695,0.528647553,0.280454629,13.07637292,20.81725664,21.11540795,21.11540795,13.5020811,5.151943614,22.5008675,16.1992722,16.11452093,16.11452093,12.307166,5.590880105,6,3.2,5.333333333,6,3,3,1.68,0.7466,0.5,0.666666667,2,0,0,0.5,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.446,0.438,0.543,0.057,2.155,5,3,2,0,0,0,0,0,0,21,1.945910149,1.945910149,1.609437912,1.609437912,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,26.3,92.6843919,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,88.0524295,6.28945925,10.67917749,1.779862916,5.104870608,5.104870608,0,32,3,0.888,20,1.222923077,2.096595015,2.852395627,3.452170314,4.046310628,0,0,0,0,0,100.4533425,113.0130016,92.32971214,97.12754428,38.31984597,0,0,0,0,0,269.7556453,307.184041,356.4689443,334.6338957,241.0709659,0,0,0,0,0,9.6890447,16.73648085,22.31435761,25.52644706,33.41663949,0,0,0,0,0,1.822900174,2.201601319,2.769961271,2.786302094,2.00313748,0,0,0,0,0,181.1552488,343.5447537,475.5832743,584.0642408,748.8378529,0,0,0,0,0,4.46225641,7.692909981,7.676493416,11.01605265,17.62927604,0,0,0,0,0,0.441951923,0.5632425,0.685708402,0.703034488,0.646158151,0,0,0,0,0,202.3507028,133.9943832,10.50817652,121.0184523,-80.13707217,-21.59412478,81.33225042,214.1314553,32.1023013,0.625757589,0.41436971,0.032495915,0.374242411,-0.247819159,-0.066778555,65.43397579,43.32965047,3.398020162,39.13363469,-25.91385732,-6.982873887,0.375126259,0.476460254,4.317780678,7.164456868,241.6300684,81.73908667,0.747226706,0.252773294,460.6641644,21.46308842,7.723156045,538.160453,23.19828556,8.13399548,702.3045065,26.50102841,8.888773061,1.382919668,1.083644388,271.2013,226.4381302,63.69177486,1.197683887,4.258027046,3.555217776,3.35328145,3.119969617,5.259793432,0.685847645,2.244430485,2.352494119,3.307071607,6.54486159,2.860010805,1.882965262,0.903372194,2.652381037,0.005981097,0.004242149,1.68E-24,1.60E-67,3.03E-132,1.12E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.204867018,2.503584952,0.274489009,1.775904752,0.186113284,1.107327243,0.075698601,0.760100938,6.69E-04,4.74E-04,1.87E-25,1.79E-68,3.39E-133,1.25E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.613918271,2.222493888,0.6026772,2.37053614,0.419593747,0.986862279,0.167984159,0.609278736,0.001158249,8.21E-04,3.25E-25,3.09E-68,5.88E-133,2.16E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.123674396,2.503071643,3.623904874,6.321676588,3.088584042,1.908441055,0.839951014,2.873413483,0.007512482,0.005328297,2.11E-24,2.01E-67,3.81E-132,1.40E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.897220834,2.1156812,0.763870451,2.892070462,0.545135718,0.993179578,0.254704916,0.608047052,0.001146876,8.13E-04,3.22E-25,3.06E-68,5.82E-133,2.14E-219,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.710497886,2.447908837,4.63944304,8.060371022,4.130085295,2.32629414,1.204193186,3.746212793,0.008735437,0.006195696,2.45E-24,2.33E-67,4.43E-132,1.63E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.32740705,2.188244814,3.447114726,4.558260545,1.998284361,2.036916035,0.504055431,4.136530125,0.012456561,0.008834889,3.49E-24,3.33E-67,6.32E-132,2.33E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.367549247,1.143713763,0.445601749,0.598339693,0.289045452,0.486843848,0.53545849,0.445715859,3.956864759,4.272423598,9.435888176,0.39750954,1.468018197,2.988978188,0.65611133,0.11013606,0.795951702,0.174719552,0.762230453,0.13053613,0.025182549,3.755225578,2.36255825,6.333771924,0.693927552,0.917949133,2.368158307,0.908482513,0.249282187,0.671642093,0.257658069,0.463191486,0.303384501,0.136929667,3.525923007,2.968238599,7.030474883,0.507463139,0.903505653,2.476038483,1.135081912,0.422692663,0.613820831,0.281391799,0.514739166,0.509337756,0.394620414,4.033813058,4.336900593,9.558694128,0.420731246,1.418697336,2.187572385,0.987262913,0.317992957,0.626304022,0.282654296,0.407534893,0.397361445,0.228900114,3.492828255,3.169284351,7.348884885,0.439456033,1.033796452,2.406986431,1.171355454,0.466920598,0.595013659,0.289562286,0.503535228,0.560905074,0.488153981,4.045262482,4.490238214,9.851953758,0.392520488,1.552594283,2.520545584,1.139522657,0.427150077,0.616689736,0.278801515,0.534129897,0.515460807,0.404701487,4.087218318,4.435617232,9.749704031,0.425034604,1.454292191 +UMLYSI0379,L,propyl formate,CCCOC=O,saturated esters,C4H8O2,110-74-7,8073,PubChem,,20.3,0,-0.3851,0.14830201,21.1666,13.978344,0,0,14,6,8,0,4,0,2,0,0,0,0,0,0,0,1097.120998,961.876913,915.212312,667.863427,461.512846,274.878453,51.429168,0,0,2375.519116,2673.115241,2882.256875,2421.733542,1729.194362,987.8707177,339.2921252,0,0,110.613208,102.12374,174.002312,170.676316,140.030848,70.883676,48.568896,0,0,15.99891124,18.50417448,21.94437926,19.8915995,13.6996161,7.752279022,2.938142673,0,0,2357.421212,1938.599079,3635.811623,3878.006468,3144.767927,1506.037377,1110.305786,0,0,81.75,45.5,72.75,51.5,52.5,38,24,0,0,78.36578557,73.99053177,41.60055964,29.0375403,25.63960256,30.54205033,8.571528,0,0,169.6799369,205.6242493,131.0116761,105.2927627,96.06635342,109.7634131,56.54868753,0,0,7.900943429,7.855672308,7.909196,7.420709391,7.779491556,7.875964,8.094816,0,0,1.142779374,1.423398037,0.997471784,0.864852152,0.761089783,0.861364336,0.489690445,0,0,168.3872294,149.1230061,165.2641647,168.6089769,174.7093293,167.3374863,185.0509644,0,0,5.839285714,3.5,3.306818182,2.239130435,2.916666667,4.222222222,4,0,0,0.272820264,-0.129081049,-0.011836294,0.022127831,-0.026449619,0.017964141,-0.009135141,0,0,542.6447669,-9.890012082,-122.4165452,78.67073473,-35.48590767,-112.1109693,-70.08968394,0,0,629.6301992,-143.8356513,-173.5132935,7.295377795,115.1360216,-154.2692894,34.37173529,0,0,1.814294857,-0.039616653,0.304613796,0.038731592,-0.551193959,-0.26596098,-0.393721224,0,0,2.75181886,-1.091395773,-0.360507311,-0.418016937,0.737158227,-0.680666776,0.43751914,0,0,15.67280268,-6.74289231,-1.060323982,-3.05919925,4.13256659,-3.800946865,2.694394479,0,0,35.30357143,1.200255102,4.576530612,3.036989796,-8.908163265,-6.820153061,-10.7372449,0,0,0.019487162,-0.009929311,-5.38E-04,9.62E-04,-0.001469423,0.001996016,-0.001522524,0,0,38.76034049,-0.76077016,-5.564388418,3.420466728,-1.971439315,-12.45677436,-11.68161399,0,0,44.97358566,-11.06428087,-7.886967887,0.317190339,6.396445642,-17.14103216,5.728622548,0,0,0.12959249,-0.003047435,0.013846082,0.001683982,-0.030621887,-0.02955122,-0.065620204,0,0,0.19655849,-0.083953521,-0.016386696,-0.018174649,0.040953235,-0.075629642,0.072919857,0,0,1.119485906,-0.518684024,-0.048196545,-0.133008663,0.229587033,-0.422327429,0.449065746,0,0,2.521683673,0.092327316,0.208024119,0.132043035,-0.494897959,-0.757794785,-1.789540816,0,0,-0.509530923,-0.027608606,0.049369919,-0.075404684,0.102427212,-0.078129567,0,0,-0.019627541,-0.143558812,0.08824656,-0.050862281,-0.321379384,-0.301380582,0,0,-0.246017317,-0.175368892,0.007052814,0.142226721,-0.381135547,0.127377492,0,0,-0.023515521,0.106843241,0.012994443,-0.236293682,-0.228031887,-0.506358078,0,0,-0.427117246,-0.08336804,-0.092464332,0.208351391,-0.384769143,0.370982992,0,0,-0.463323407,-0.043052391,-0.118812271,0.205082558,-0.377251225,0.401135686,0,0,0.036613361,0.082494137,0.052363045,-0.196256955,-0.300511437,-0.709661103,0,0,1.429234108,0.905053019,0.62759496,1.141943671,1.158876343,1.181538824,0,0,0.936377319,1.091348535,0.755052161,1.000029274,1.263888889,1.345950072,0,0,1.512288748,1.123567081,0.914220047,0.646405612,1.263888889,0.430734733,0,0,0.73392701,0.903690586,0.637766906,1.300670856,1.263888889,2.020340291,0,0,1.873609202,1.061254792,0.985375572,0.507071891,1.263888889,0.021590459,0,0,1.9272959,1.032355214,0.989116571,0.506009952,1.263888889,7.97E-05,0,0,0.516944866,0.629765025,0.402256383,1.260692407,2.066205811,3.314112291,0,0,18.78110921,9.640554603,15.70291645,19.11444254,3.185740423,9.640759656,0.5,0.156922928,0.026153821,-1.1112003,29.21534925,4.869224875,2.024816538,18.79157672,9.645053939,15.71054636,19.12393083,3.187321804,9.645257979,0.498531158,0.156648405,0.026108067,-1.112250867,29.09693149,4.849488582,2.022379633,28.10937904,13.65569504,22.84707154,27.5773864,4.596231067,13.65569782,-0.797988956,0.003660848,6.10E-04,-3.366036298,17.34279226,2.890465377,1.711906193,18.80256273,9.649776166,15.71855564,19.13388913,3.188981522,9.649979149,0.4969896,0.156360576,0.026060096,-1.113354332,28.97490388,4.829150646,2.019858043,38.02660469,17.93100808,30.76521523,36.58354567,6.097257611,17.93100811,-2.164588529,0.077259494,0.012876582,-1.536351282,18.19598596,3.032664326,1.740720611,19.87809612,10.11218225,16.50941152,20.1089417,3.351490283,10.11230455,0.346268372,0.129603,0.0216005,-1.225967609,22.64973746,3.774956244,1.872088957,17.64461189,9.0557028,15.08751983,18.01842612,3.00307102,9.056182134,1.166666667,0.308685185,0.051447531,-0.705260003,15.79026868,2.631711447,1.655636307,0,11.98878783,16.00602373,-0.344469028,0.322589935,2.965925221,5.713902765,5,13,12,12,4,1,1,0,0,1,11.619656,3.407230769,3.048961133,2.368608496,1.524404302,0.968506347,0.401822121,0.083923071,0.083923071,1.760028632,1.279488648,1.036418395,0.643847264,0.083923071,0.083923071,0.083923071,0.083923071,3.323351524,2.908231883,2.346379032,1.53050422,0.607904046,0.375212613,0.270913902,0.270913902,1.722207517,1.348553177,0.99813503,0.509433777,0.270913902,0.270913902,0.270913902,0.270913902,3.528300473,3.185509401,2.64594575,1.966800416,1.230291843,1.030420903,0.943918427,0.943918427,1.483757124,1.022553038,0.634514578,0.009444774,0.943918427,0.943918427,0.943918427,0.943918427,3.326506116,2.85941641,2.370065407,1.589092172,0.460343952,0.417568966,0.399277246,0.399277246,1.708912048,1.379823675,0.954907591,0.421761685,0.399277246,0.399277246,0.399277246,0.399277246,3.567287584,3.202841031,2.743386413,2.131521259,1.20895283,1.208035068,1.207644823,1.207644823,1.429837572,1.006403272,0.536214796,0.159782894,1.207644823,1.207644823,1.207644823,1.207644823,4.769436248,3.395425947,2.852923612,2.050997965,1.554983955,1.043386634,0.571428571,0.571428571,1.607447149,0.930544438,0.561550066,0.281898422,0.571428571,0.571428571,0.571428571,0.571428571,0,0,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,3.808060412,1.967186437,0.967015857,0.390016657,0.165963653,0.048112522,0,0,0.634676735,0.393437287,0.241753964,0.130005552,0.082981826,0.048112522,0,0,7.596909424,14.21267298,13.6,13.84,8.154697006,108.4220623,0.542636387,1.015190927,0.971428571,0.988571429,0.582478358,7.74443302,0.5694,22.307,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,0,0,1,0,0,0,0,0,0,0,0,1,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.64361111,0.461805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.834097222,0,0,1.239861111,0,0,0.834097222,0,0,0,0,0,0,0,0,1.947916667,0,1.446666667,0,0.461805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.341527778,4.302083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.302083333,0.461805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.834097222,0,0,0.307222222,0,0,0.834097222,0,0,0,0,0,0,0,0,1.947916667,0,0.545138889,0,0.461805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.341527778,4.302083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.341527778,0.461805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.834097222,0,0,0.555902778,0,0,0.834097222,0,0,0,0,0,0,0,0,1.947916667,0,0.901527778,0,0.461805556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.341527778,4.302083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.5,2.916666667,0.834097222,9.341527778,0.307222222,0.461805556,1.668098889,1.538194444,2.341527778,6.287222222,1.538194444,2.341527778,6.287222222,2.66666,0.44444,0,0.05556,0.58095,0.95556,0.42,0.58095,0.95556,0.16095,0,-0.16095,0,0.46511,0.24918,0,0.3125,0,0,4.75,0.79167,3.25,0.54167,1.5,0.25,-1.75,-0.29167,0,0,3.08636,0.51439,5.31294,2.22659,0.3711,1.80205,0.30034,2.91421,1.11216,0.18536,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5.02,2,2,2,2,0,0,0.75,1.378783493,2.403677461,3.182005815,3.182005815,2.910051892,1.965093343,19.30296891,33.65148445,44.54808141,44.54808141,40.74072648,27.5113068,0.362136843,0.631324768,0.835752348,0.835752348,0.764323776,0.516130853,2.428571429,1.403677461,0.625349107,0.625349107,0.89730303,1.842261579,0.362136843,0.631324768,0.835752348,0.835752348,0.764323776,0.516130853,13.07637292,22.53154235,23.31596115,23.31596115,20.05251407,12.03499828,22.5008675,14.65011084,14.1829945,14.1829945,12.55127096,7.941814632,6,5,5.333333333,6,3,3,1.68,0.7466,0,1.5,0,0,1.650963624,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.428,0.418,0.582,0.072,2.383,4,3,2,1,0,0,0,0,0,21,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,0,3.295836866,1.238095238,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.6,4,0.8,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,26.3,92.6843919,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,88.0524295,6.28945925,10.83915043,1.806525072,5.168655301,5.168655301,0,35,3,0.786,18,1.222923077,2.097590545,2.825184165,3.56594496,4.908909168,5.674216809,0,0,0,0,100.4533425,94.72081345,97.97992508,113.6825814,170.10844,52.95330147,0,0,0,0,269.7556453,290.6313252,323.2235993,393.059517,570.2160403,335.4181632,0,0,0,0,9.6890447,16.67743812,21.13536594,28.2971872,38.93591839,46.71807944,0,0,0,0,1.822900174,2.179309418,2.549244041,2.960304876,4.356294017,2.80436349,0,0,0,0,181.1552488,343.9689505,473.63898,615.8467693,816.354659,1050.095457,0,0,0,0,4.40125,7.153986709,6.773527874,11.47075376,21.9369967,24.41082943,0,0,0,0,0.441951923,0.545499933,0.630660727,0.783475501,1.164248458,0.900811323,0,0,0,0,229.1559494,156.5800003,15.74048288,106.8089142,-72.98147777,-22.00043814,122.3470351,229.5614781,37.74092102,0.682083081,0.466060643,0.046851575,0.317916919,-0.217229495,-0.065484342,76.98834728,52.60537846,5.288249183,35.8840423,-24.51921223,-7.3913742,0.363177192,0.46580917,10.39350398,7.402269706,236.2633446,99.701519,0.703238256,0.296761744,460.6641644,21.46308842,7.723156045,538.160453,23.19828556,8.13399548,661.8101688,25.7256714,8.71454022,2.195270062,2.195270062,380.271464,365.5138287,24.78695,1.04037504,15.34159967,14.74622044,3.28311428,3.393689965,6.490572057,0.912541253,2.244430485,2.352517379,3.670376836,7.78993835,1.948495585,1.290155412,0.721057789,1.621975721,0.01085368,2.630012955,0.125705394,1.982301551,1.07E-11,1.12E-44,2.25E-99,8.74E-176,6.54E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,0.204867018,2.503585116,0.380201041,1.489764589,0.015619199,1.140175904,0.061092754,0.742505383,0.001600588,0.073390631,0.164356107,0.221597449,1.20E-12,1.25E-45,2.52E-100,9.77E-177,7.32E-275,0,0,0,0,0,0,0,0,0,0,0,0,0,0.613918271,2.222495596,0.733439953,2.191709267,0.147878553,0.954165512,0.193904792,0.594909292,0.003105187,0.333765543,0.088535631,0.383870742,2.08E-12,2.17E-45,4.36E-100,1.69E-176,1.27E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,2.123674396,2.503092368,4.335315173,7.445720049,1.737380006,1.471213901,0.685970832,1.755206266,0.011486327,2.381500904,0.167082691,2.489844331,1.35E-11,1.41E-44,2.83E-99,1.10E-175,8.22E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,0.897220834,2.115684908,0.825277316,2.806062926,0.316547316,0.875487603,0.284143394,0.590364331,0.003913633,0.590017212,0.059638838,0.380103771,2.06E-12,2.15E-45,4.32E-100,1.68E-176,1.25E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,2.710497886,2.44794276,5.204452947,10.17008113,2.835515208,1.496451251,0.875337869,2.069185721,0.01395226,3.657181782,0.152661675,2.89516892,1.57E-11,1.63E-44,3.29E-99,1.28E-175,9.56E-274,0,0,0,0,0,0,0,0,0,0,0,0,0,1.335410689,2.448712519,4.793649169,4.587947206,0.641735331,2.425113926,0.414000134,2.424532308,0.013809965,1.09402884,0.568870539,4.530974974,2.45E-11,2.56E-44,5.15E-99,2.00E-175,1.50E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,3.891527553,0.643583008,0.355408725,0.795728904,0.131598092,0.500841827,0.502677042,0.428556671,4.890519286,4.116338869,9.896986773,0.693593357,1.43207554,4.935776185,0.250069563,0.056926066,0.941444023,0.047697968,0.804403945,0.061153765,0.010994473,5.242771813,1.529497187,6.842532124,0.912166034,0.876552183,4.059136508,0.413239628,0.177439565,0.872967182,0.08887226,0.54120518,0.192848551,0.106820109,4.649815701,2.470972538,7.418424666,0.809450772,0.84087384,4.103695378,0.621889327,0.330456898,0.811641933,0.12299925,0.554446934,0.455940519,0.370494473,5.056041603,4.113646419,10.01302868,0.717462899,1.380881925,3.726309333,0.488903287,0.243625561,0.835713067,0.109648134,0.45824321,0.287037557,0.201371403,4.458838181,2.848738421,7.751414839,0.753569601,0.946652169,3.935710755,0.669862149,0.373689738,0.790420397,0.134530391,0.512277343,0.544558226,0.4737775,4.979262641,4.357438995,10.32189116,0.685630596,1.530613069,4.173417584,0.622952314,0.334661515,0.813368161,0.12140879,0.573633142,0.458957509,0.379982535,5.131031414,4.205000561,10.20609842,0.720052241,1.412573187 +UMLYSI0380,L,ethyl propionate,CCC(=O)OCC,saturated esters,C5H10O2,105-37-3,7749,PubChem,,20.3,0,0.3477,0.12089529,26.7301,17.07193,0,0,17,7,10,0,5,0,2,0,0,0,0,0,0,0,1243.417247,1130.35521,1306.655762,1050.637361,694.457783,317.780233,84.835296,9.144576,0,2861.203507,3326.105375,3761.1497,3276.005739,2609.028665,1941.258935,1061.424631,279.7536999,0,131.590652,123.89952,216.636032,227.690588,150.707684,134.004196,123.32736,60.466176,0,19.67703705,23.5201631,28.22799493,24.24227231,18.99009406,17.30709868,12.01662072,4.001516144,0,2854.050872,2371.638531,4586.250325,4994.533197,2960.264088,2953.243271,3137.747111,1664.258868,0,86.52777778,49.25,88.41666667,88.91666667,76.5,46,24,9,0,73.142191,70.64720063,46.66627721,36.22887452,38.58098794,17.65445739,4.713072,1.016064,0,168.3060886,207.8815859,134.326775,112.9657151,144.946037,107.8477186,58.96803508,31.08374443,0,7.740626588,7.74372,7.737001143,7.851399586,8.372649111,7.444677556,6.85152,6.718464,0,1.157472768,1.470010194,1.008142676,0.835940424,1.055005225,0.961505482,0.66759004,0.444612905,0,167.8853454,148.2274082,163.7946545,172.2252827,164.459116,164.0690706,174.3192839,184.917652,0,5.089869281,3.078125,3.157738095,3.066091954,4.25,2.555555556,1.333333333,1,0,0.260022446,-0.163577952,0.067472633,0.004440522,-0.037311402,-0.012803374,0.006415436,0.005352914,0,629.8202065,-12.09745997,91.73601781,52.23851661,-477.6816634,-313.9795183,119.8898861,224.9841179,0,780.5766247,-146.4197851,-127.2398513,245.4109987,-309.8500045,-371.2605877,48.03593719,271.0349803,0,1.881607059,-0.015005232,0.713723903,-0.743996042,-1.209082768,-0.311607474,0.364343585,0.260820498,0,3.424768994,-1.080059213,-1.075972452,1.060066501,-0.232878972,-1.122673898,-0.131174031,0.870307568,0,19.34959846,-6.628413839,-6.404200317,5.323133797,0.234143889,-5.267554587,-1.159649624,4.227741453,0,36.4869281,-1.446847366,10.13427528,-6.72443291,-20.63811995,-9.103806228,4.925605536,4.609861592,0,0.015295438,-0.010223622,0.002409737,1.53E-04,-0.002072856,-7.11E-04,3.56E-04,5.95E-04,0,37.04824744,-0.756091248,3.27628635,1.801328159,-26.53787019,-17.44330657,6.660549227,24.99823533,0,45.91627204,-9.151236571,-4.544280402,8.462448233,-17.21388914,-20.6255882,2.668663177,30.11499781,0,0.110682768,-9.38E-04,0.025490139,-0.025655036,-0.067171265,-0.017311526,0.02024131,0.028980055,0,0.201457,-0.067503701,-0.038427588,0.036554017,-0.012937721,-0.062370772,-0.007287446,0.096700841,0,1.138211674,-0.414275865,-0.22872144,0.183556338,0.013007994,-0.292641921,-0.064424979,0.46974905,0,2.146289889,-0.09042796,0.361938403,-0.231876997,-1.14656222,-0.505767013,0.273644752,0.512206844,0,-0.668409887,0.157546118,0.010010922,-0.135521169,-0.046503967,0.023301922,0.038885336,0,-0.020408287,0.088432964,0.048621144,-0.716305683,-0.470826767,0.179780413,0.67474812,0,-0.199302691,-0.098968845,0.184301727,-0.374897359,-0.449199974,0.058120206,0.655867658,0,-0.008473107,0.230299077,-0.231788889,-0.606880963,-0.156406698,0.182876798,0.261829875,0,-0.335077465,-0.190748337,0.181448236,-0.064220755,-0.309598436,-0.036173705,0.480007352,0,-0.363970845,-0.200948071,0.161267313,0.011428449,-0.257106765,-0.056601931,0.412707988,0,-0.042132221,0.168634444,-0.108036197,-0.534206598,-0.235647112,0.127496641,0.238647559,0,1.633280297,0.930721206,1.428398769,1.780029477,0.506678088,0.067896461,9.83E-05,0,0.99899345,0.884590183,0.975057926,1.877930543,1.330079998,0.512595003,0,0,1.508256898,1.087756121,0.640769066,1.297000521,1.424369191,0.769097806,0,0,0.720275784,0.761305453,1.537479571,2.365171588,0.855224494,0.033610985,0,0,1.799320607,1.199157024,0.597703335,1.031004358,1.313189709,0.783643538,0,0,1.84360627,1.214948451,0.627498859,1.006749559,1.255731604,0.753423068,0,0,0.593819973,0.530740196,1.233003382,2.759994029,1.382534707,0.073085535,0,0,24.14424645,12.32212322,18.77875749,24.5013893,3.500198472,12.3221382,0.5,0.007693237,0.001099034,-3.407189516,31.48295071,4.497564387,2.414612306,24.15570932,12.32712024,18.78710696,24.51180301,3.501686144,12.32713513,0.498531158,0.007977785,0.001139684,-3.381766119,31.43973477,4.491390682,2.413650772,34.3774941,16.78975257,26.57935779,33.80750199,4.829643141,16.7897527,-0.797988956,0.148002818,0.02114326,-1.337366774,21.98281606,3.140402295,2.163182742,24.16774005,12.33236482,18.7958716,24.52273262,3.503247517,12.33237963,0.4969896,0.008275948,0.001182278,-3.356081272,31.39467794,4.484953991,2.41264687,45.28828225,21.56184686,35.18700074,43.74214758,6.248878226,21.56184686,-2.164588529,0.197824537,0.028260648,-1.134262374,20.8637592,2.980537029,2.126609551,25.34579692,12.84603265,19.66134537,25.59313147,3.656161639,12.84604114,0.346268372,0.035208802,0.005029829,-2.342521426,28.09943409,4.014204869,2.335024606,22.12199026,11.36854256,17.35715738,22.62457529,3.232082185,11.36859102,1.172698413,0.151027784,0.021575398,-1.323204019,50.88705293,7.269578991,2.75072597,0,11.89,15.99591715,-0.31593266,0.261194312,3.878933361,5.994833362,6,16,15,15,5,1,1,0,0,1,13.80607,3.512709114,3.055731068,2.61749231,1.91256821,1.563316091,0.973129996,0.083923071,0.083923071,1.736210677,1.619961339,1.042248691,0.837395079,0.399380772,0.083923071,0.083923071,0.083923071,3.390411246,3.066493529,2.527674705,1.878744583,1.564901524,0.60441494,0.270913902,0.270913902,1.735266158,1.54844465,1.066133828,0.726945867,0.442596208,0.270913902,0.270913902,0.270913902,3.594012077,3.268260431,2.824032168,2.266066628,1.996333918,1.226894581,0.943918427,0.943918427,1.50180241,1.282498447,0.716445894,0.276821617,0.038967836,0.943918427,0.943918427,0.943918427,3.370941525,3.089403313,2.509329522,1.917498426,1.595230851,0.459593576,0.399277246,0.399277246,1.744204039,1.502156328,1.07232366,0.65729742,0.408427741,0.399277246,0.399277246,0.399277246,3.60951181,3.348208023,2.87398152,2.397635101,2.128442489,1.208936353,1.207644823,1.207644823,1.471293693,1.204461578,0.66686096,0.13702806,0.162280434,1.207644823,1.207644823,1.207644823,4.781244839,3.359583264,3.121756913,2.521053038,1.9651195,1.524301822,0.576923077,0.576923077,1.524235553,1.38960363,0.660977609,0.489401039,0.15654307,0.576923077,0.576923077,0.576923077,0,0,1,0,0,3,1,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.49279928,0.40824829,0.204124145,0.100592232,0.083333333,0.041666667,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,4.730710143,2.464690378,1.15857456,0.59400034,0.26304971,0.102062073,0,0,0.675815735,0.41078173,0.19309576,0.118800068,0.087683237,0.102062073,0,0,9.138737228,17.10050983,16.3254902,16.6,9.953251497,131.4503174,0.537572778,1.005912343,0.960322953,0.976470588,0.585485382,7.73237161,0.9595,26.924,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,1,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.74166667,-0.122685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.813541667,0.5125,0,0,0,0,0,0,0,0,0,0,3.574953704,0,0.972731481,0,0,0,0,0,0,-0.122685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18958333,4.552083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.552083333,-0.122685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368402778,0.5125,0,0,0,0,0,0,0,0,0,0,1.775787037,0,0.48,0,0,0,0,0,0,-0.122685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18958333,4.552083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18958333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,1.799166667,0,0.492731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18958333,4.552083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.16666667,2.738095238,0.627083333,10.18958333,0.305555556,-0.122685185,2.030535185,1.789351852,3.189583333,8.483333333,1.789351852,3.189583333,8.483333333,3.16666,0.45238,0,0.04762,0.5549,0.91905,0.42174,0.5549,0.91905,0.13316,0,-0.13316,0,0.49223,0.22206,0,0.42105,0.1579,0,5.25,0.75,3.75,0.53571,1.5,0.21429,-2.25,-0.32143,0,0,4.43906,0.63415,7.07892,2.63986,0.37712,2.22862,0.31837,3.30805,1.07943,0.1542,0.10595,0.01514,0.10595,0.01514,0,6.02,2,2,2,2,0,0,0.8,1.332820405,2.015740432,2.939829017,3.175123135,2.889549431,2.341303977,22.65794688,34.26758735,49.9770933,53.9770933,49.12234032,39.80216761,0.326075235,0.49315199,0.719230763,0.776795596,0.706929835,0.572801287,2.754642437,2.071722409,1.147633824,0.912339706,1.19791341,1.746158864,0.326075235,0.49315199,0.719230763,0.776795596,0.706929835,0.572801287,12.49498498,21.16001527,23.38453193,22.32847018,22.04066185,13.94850116,25.89308809,17.03684232,15.69488269,16.63632669,17.18138635,15.25543122,7,4.166666667,3.84,7,3,3,1.79,0.8875,0.2,2,0.816496581,0,0.333333333,1.414213562,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,2.859,6,5,3,1,0,0,0,0,0,28,2.079441542,2.197224577,2.079441542,1.609437912,0.693147181,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,26.3,109.9803765,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,102.0680796,6.00400468,12.66537523,1.809339318,5.198627658,5.198627658,0,50,5,0.917,24,1.2270625,2.096283342,2.825418399,3.73594956,4.791353717,5.531670037,6.73987301,0,0,0,96.90864932,107.730331,112.3540572,160.9813325,94.34179005,29.09865597,6.84814233,0,0,0,275.0821314,299.5026416,342.1496085,584.3710366,547.6581867,349.0262863,209.5004901,0,0,0,9.573754286,16.37497797,22.27456054,30.90513189,35.6715048,38.00930806,45.28159418,0,0,0,1.899056374,2.199468189,2.485664887,4.238776929,4.812578213,3.875484819,2.996634517,0,0,0,180.4501068,340.5737446,483.6174863,605.1097017,779.6513174,955.5977075,1246.321492,0,0,0,3.887708333,7.034581285,8.84112764,14.99419726,12.29415003,7.648528245,6.73987301,0,0,0,0.445526719,0.554566293,0.653559732,1.067803264,1.099416164,0.857722701,0.690162996,0,0,0,412.4559688,279.9683403,19.57271981,132.9018129,-90.21156872,-19.12578546,279.5541559,370.179909,38.69850527,0.756303445,0.513366362,0.035889686,0.243696555,-0.165417221,-0.035070161,224.9360722,152.682913,10.67413506,72.47903787,-49.197581,-10.43039593,0.38475937,0.465391532,11.36205337,5.487082494,462.1448382,83.21294359,0.847415868,0.152584132,523.9030215,22.88892792,8.061520593,620.7733823,24.91532425,8.530563018,849.9473705,29.15385687,9.472486861,1.963347395,1.758118509,430.516785,380.2430783,63.6738698,1.132214653,6.761278784,5.971728741,3.667276891,4.210482197,7.33198478,0.741364631,2.802231592,3.344511073,3.788238626,6.440384815,4.944890841,2.672709298,2.399923446,6.438668736,0.071185349,1.650069615,2.358885674,4.694733339,0.732350733,0.118865545,8.33E-20,1.13E-59,2.94E-121,1.48E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0.2516794,3.49551831,0.358981935,2.253304961,0.197425049,1.785076513,0.312222206,0.417723572,0.006025628,0.048126399,0.890548397,0.177293391,0.005158021,8.37E-04,5.87E-22,7.94E-62,2.07E-123,1.04E-206,1.0109397025365E-311,0,0,0,0,0,0,0,0,0,0,0,0.765034346,3.214432911,0.759787461,2.414257497,0.556314572,1.714827967,0.467970947,1.017109053,0.019276406,0.214893726,1.054303199,0.715116491,0.053750437,0.008724058,6.12E-21,8.27E-61,2.16E-122,1.09E-205,1.05347711390414E-310,0,0,0,0,0,0,0,0,0,0,0,2.650193139,3.495079447,4.324357811,7.273511244,4.959222032,3.012394232,2.262593275,6.237906885,0.067186968,1.495318055,2.220895509,4.282232412,0.652511328,0.10590706,7.43E-20,1.00E-59,2.62E-121,1.32E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,1.119938123,3.107627496,0.907832721,2.515997924,0.851803908,1.661643049,0.659334196,1.516488694,0.028385322,0.376947922,1.207086304,1.198416678,0.116753097,0.018949821,1.33E-20,1.80E-60,4.69E-122,2.36E-205,2.2882930639938E-310,0,0,0,0,0,0,0,0,0,0,0,3.384123505,3.439964249,5.296689051,8.324587118,7.199396411,3.210001979,3.225428074,8.981585982,0.086042137,2.28740285,2.924414639,6.376395632,1.068064669,0.173354226,1.22E-19,1.64E-59,4.29E-121,2.16E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,1.722265036,3.529905665,4.488737635,9.528671077,3.752255325,4.195055988,1.687298153,4.720828389,0.04733186,0.62823158,1.797313772,2.18700938,0.243755854,0.039563236,2.77E-20,3.75E-60,9.79E-122,4.92E-205,4.7774741381892E-310,0,0,0,0,0,0,0,0,0,0,0,5.883081633,0.762052292,0.391062371,0.836116758,0.108304581,0.624587751,0.467482832,0.470570081,7.036196295,7.081877668,15.87129098,0.754175136,1.562640664,3.662498469,0.583506179,0.065612924,0.849448822,0.135333473,0.241182445,0.273833325,0.013246802,4.311617573,2.415683269,6.867521598,0.774173233,0.528262572,4.888555824,0.578381412,0.197078865,0.86309003,0.102115072,0.430752432,0.270246779,0.119512232,5.6640161,3.904867603,10.1261143,0.794635044,0.820511443,5.617672171,0.773792227,0.366961376,0.83121016,0.114492968,0.569017673,0.483262241,0.414355364,6.758425773,6.692331628,15.04590586,0.74681524,1.466635278,5.442262274,0.59633372,0.26668865,0.863127136,0.094576812,0.534666597,0.285959924,0.218847364,6.305284644,4.85582952,12.02662671,0.794690703,1.039473885,5.944266524,0.792728921,0.411818664,0.83150386,0.11088957,0.63757574,0.506061468,0.521848338,7.148814109,7.486612452,16.57599517,0.74725579,1.665485545,5.683039062,0.785638484,0.370853144,0.830910675,0.114867309,0.582281517,0.498304902,0.423190768,6.83953069,6.8637436,15.35906467,0.746366012,1.503777187 +UMLYSI0381,L,1-methoxy-2-butanol,CCC(COC)O,other multi-oxygen compounds,C5H12O2,53778-73-7,40895,PubChem,,19.8,0,-0.7876,0.62031376,26.8008,18.405516,0,0,19,7,12,0,5,0,2,0,0,0,0,0,0,0,1245.449375,1158.58929,1259.45985,1202.242205,763.698019,325.861369,81.787104,9.144576,0,2923.370996,3522.855622,4296.330347,4141.922172,3196.847509,1977.023317,968.1733981,279.7536999,0,145.02758,140.48832,248.709504,276.52394,269.8255,187.694884,103.171968,60.466176,0,20.56626286,25.1684754,32.51276287,33.16743053,27.3700504,18.01412863,10.682782,4.001516144,0,3223.886176,2709.945355,5268.330502,6002.580426,6219.412235,4375.647127,2582.994154,1664.258868,0,74.52777778,52.58333333,80.25,105.9166667,84,55,21,9,0,65.54996711,64.36607167,39.35812031,33.39561681,21.21383386,13.03445476,5.4524736,1.016064,0,153.8616314,195.7142012,134.2603233,115.0533937,88.80131969,79.08093268,64.54489321,31.08374443,0,7.633030526,7.804906667,7.772172,7.681220556,7.495152778,7.50779536,6.8781312,6.718464,0,1.082434887,1.398248633,1.01602384,0.921317515,0.760279178,0.720565145,0.712185467,0.444612905,0,169.6782198,150.5525197,164.6353282,166.7383452,172.761451,175.0258851,172.1996103,184.917652,0,3.92251462,2.921296296,2.5078125,2.94212963,2.333333333,2.2,1.4,1,0,0.381472354,-0.135389391,-0.139407323,0.145358373,-0.054711067,-0.052473069,0.034938239,0.010948061,0,674.5538907,-34.43490849,-138.7961558,-120.028306,-54.20629261,-174.776527,4.853305155,180.1119393,0,834.4666208,-132.3198136,-92.73566208,-275.0440851,-23.06344383,-30.64824288,-80.40020512,216.9781421,0,1.933466105,-0.13677631,-0.644228388,0.389152011,-0.436452199,-0.55449077,0.207261706,0.208800898,0,3.597812604,-0.9133548,-0.296777831,-1.110904805,-0.144105633,0.483053577,-0.51354503,0.69672822,0,20.19020202,-5.596339153,-1.70522318,-5.621669508,-1.064141497,3.469857908,-2.962120981,3.384535402,0,27.68421053,-4.053170206,-6.24738381,2.588104032,-3.103416436,-7.40758695,1.45544783,2.925900277,0,0.020077492,-0.007521633,-0.004356479,0.004037733,-0.001519752,-0.002098923,0.002329216,0.001216451,0,35.50283635,-1.913050472,-4.337379868,-3.33411961,-1.50573035,-6.991061079,0.323553677,20.0124377,0,43.91929583,-7.351100753,-2.89798944,-7.640113474,-0.640651218,-1.225929715,-5.360013674,24.10868246,0,0.101761374,-0.007598684,-0.020132137,0.010809778,-0.012123672,-0.022179631,0.013817447,0.0232001,0,0.189358558,-0.050741933,-0.009274307,-0.030858467,-0.004002934,0.019322143,-0.034236335,0.077414247,0,1.062642212,-0.310907731,-0.053288224,-0.156157486,-0.029559486,0.138794316,-0.197474732,0.376059489,0,1.457063712,-0.225176123,-0.195230744,0.071891779,-0.086206012,-0.296303478,0.097029855,0.325100031,0,-0.374630092,-0.216983215,0.201107415,-0.075694306,-0.104541082,0.116011296,0.060587807,0,-0.05388444,-0.122169954,-0.093911359,-0.042411551,-0.196915565,0.00911346,0.563685602,0,-0.167377473,-0.065984424,-0.173958014,-0.01458701,-0.027913237,-0.122042341,0.548931443,0,-0.074671593,-0.197836727,0.106226731,-0.119138252,-0.217957266,0.135782828,0.227985323,0,-0.267967468,-0.048977492,-0.162963148,-0.021139442,0.102039978,-0.180801627,0.408823596,0,-0.29257988,-0.050146911,-0.146952083,-0.02781697,0.130612463,-0.185833698,0.353890976,0,-0.154541027,-0.133989161,0.049340175,-0.059164202,-0.203356569,0.066592733,0.223119983,0,1.313014074,1.327040231,0.884070839,1.127052539,1.180850761,0.186200503,0.0206379,0,1.189058898,1.187820461,1.101264432,0.960208257,1.107279292,0.646112399,0,0,1.595746771,1.11411088,1.157339537,0.845107214,0.798739312,0.971229607,0,0,0.998753479,1.385552994,0.988365917,1.118865231,1.286482133,0.044157795,0,0,1.855185572,1.129361916,1.160053258,0.811658203,0.61519693,1.00703617,0,0,1.902243948,1.146193222,1.153078886,0.814620423,0.584905578,0.974774084,0,0,1.091677229,1.076312975,1.253221377,1.059569075,1.267870722,0.130038023,0,0,26.04604301,13.27302151,20.23152726,26.40318587,3.771883696,13.2730269,0.5,0.02878882,0.004112689,-2.48343772,26.60637842,3.800911203,2.296805684,26.05676767,13.27764941,20.23810108,26.41286135,3.773265907,13.27765478,0.498531158,0.028503227,0.00407189,-2.490416569,26.59273129,3.798961613,2.296446543,35.69714924,17.44958014,26.5516934,35.12715713,5.018165304,17.4495802,-0.797988956,0.16035763,0.022908233,-1.28124414,27.94170349,3.991671928,2.331084225,26.06802389,13.28250675,20.24500208,26.42301646,3.774716637,13.28251209,0.4969896,0.028203661,0.004029094,-2.497812436,26.57847175,3.796924535,2.296071089,46.08275179,21.95908163,33.84583411,44.53661713,6.362373875,21.95908163,-2.164588529,0.258044071,0.036863439,-0.948237424,29.78235108,4.254621582,2.375741181,27.17160041,13.75893439,20.92819954,27.41893496,3.916990709,13.75893757,0.346268372,2.50E-04,3.58E-05,-5.804897519,25.46207404,3.637439149,2.266033037,26.49214189,13.72394683,21.83955999,27.13156713,3.875938161,13.72395111,1.107142857,0.135617675,0.019373954,-1.398540895,35.01097267,5.001567524,2.488963062,0,11.99640053,15.99825848,-0.408490084,0.077993938,4.306220416,6.775880698,6,18,18,18,6,0,0,0,0,0,15.034484,3.467832648,2.989508288,2.594274076,2.076527766,1.673074338,0.981005251,0.724100058,0.083923071,1.796802951,1.487651908,1.279326454,0.871686997,0.615460477,0.287797267,0.083923071,0.083923071,3.419308368,2.919861877,2.576548509,1.997057773,1.631526923,0.974836948,0.516696215,0.270913902,1.775440981,1.46091786,1.203163636,0.792785639,0.593659665,0.154787212,0.270913902,0.270913902,3.595939366,3.190241743,2.860700165,2.393861719,2.108885159,1.522780156,1.152112576,0.943918427,1.55663194,1.136636855,0.858651726,0.347296013,0.043381514,0.442913288,0.943918427,0.943918427,3.420784016,2.920395312,2.60286148,2.017516491,1.637340176,1.033023744,0.443640419,0.399277246,1.764894342,1.438407314,1.157985133,0.757184238,0.543917015,0.057031081,0.399277246,0.399277246,3.635228086,3.254424959,2.954584878,2.493425555,2.2447437,1.718386138,1.208594559,1.207644823,1.51186885,1.067531454,0.759339816,0.228266379,0.082356887,0.63990282,1.207644823,1.207644823,4.292865056,3.499855966,3.190156254,2.582567367,2.05206803,1.48267668,1.205200826,0.6,1.637975515,1.161418727,0.937432134,0.5112443,0.081502587,0.324183083,0.6,0.6,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.129099445,0,0,0,0.49279928,0.40824829,0.204124145,0.181804073,0.105409255,0.052704628,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,4.847025718,2.478725677,1.517413598,0.830302717,0.31023786,0.11785113,0,0,0.692432245,0.413120946,0.252902266,0.166060543,0.10341262,0.11785113,0,0,9.680565032,18.98834669,18.05098039,18.36,10.75180599,147.7358778,0.509503423,0.999386668,0.9500516,0.966315789,0.565884526,7.775572518,0.4037,28.1738,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,1,0,2,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.625277778,0,13.37740741,0,0,2.904096849,0,0,0,0,0,0,0,0.625277778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.798333333,0,0,0,0,0,0,0,0,0,0,0,3.502546296,0,1.226527778,0,0,0,-0.273148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.732916667,0,4.644490741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.625277778,0,4.644490741,0,0,2.904096849,0,0,0,0,0,0,0,0.625277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.3025,0,0,0,0,0,0,0,0,0,0,0,1.582222222,0,0.454861111,0,0,0,-0.273148148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.732916667,0,4.644490741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.625277778,0,8.732916667,0,0,2.904096849,0,0,0,0,0,0,0,0.625277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561111111,0,0,0,0,0,0,0,0,0,0,0,1.920324074,0,0.771666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.732916667,0,4.644490741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.83333333,2.547619048,0.625277778,8.732916667,0.286388889,-0.273148148,1.988198426,1.606481481,2.732916667,7.754814815,1.606481481,2.732916667,7.754814815,3.16666,0.45238,0,0.04762,0.52807,0.91905,0.42174,0.52807,0.84167,0.10633,0,-0.10633,0.07738,0.49223,0.22206,0,0.42105,0.1579,0,3.75,0.53571,3.75,0.53571,0,0,-3.75,-0.53571,0,0,5.14004,0.73429,7.07892,1.93888,0.27698,2.46251,0.35179,3.30805,0.84554,0.12079,0.10595,0.01514,0.10595,0.01514,0,6.02,2,2,2,2,1,1,1,1.267443804,2.245098682,3.536886724,3.536886724,3.431623566,3.089736459,24.08143227,42.65687495,67.20084775,67.20084775,65.20084775,58.70499272,0.298367569,0.528516241,0.83261466,0.83261466,0.807834775,0.727351502,2.98048371,2.002828832,0.71104079,0.71104079,0.816303948,1.158191054,0.303948825,0.538402653,0.848189529,0.848189529,0.822946112,0.740957321,11.97254971,21.25203259,22.55392891,22.55392891,20.87025369,17.18812574,25.70002921,15.52950507,14.62196374,14.62196374,16.51495533,11.93906215,7,4.166666667,3.84,7,0,4,1.79,0.9305,0.2,1.807204007,0.816496581,0,0.5,2,0,0,0,0,0,0.333333333,0,0,0,0,0,0,0,0.259,0.614,0.621,0.528,0.233,3.179,6,5,3,1,0,0,0,0,0,28,1.945910149,1.945910149,1.791759469,1.386294361,0.693147181,0,0,0,0,0,3.36729583,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,6,1,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,29.46,112.6168352,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,104.0837296,5.478091033,12.66537523,1.809339318,5.087946875,5.087946875,0,50,5,0.129,24,1.22,2.094296863,2.84178964,3.467648014,4.570284127,5.703698347,6.825002823,0,0,0,90.60017841,91.92525793,105.5682134,90.68885451,70.16976812,34.34444839,6.934639668,0,0,0,260.5725691,301.2628148,349.0092439,348.7561603,396.4269864,392.6210547,212.1466435,0,0,0,9.595452363,16.37647579,21.95151898,26.28308204,34.59415948,39.34758032,45.85353576,0,0,0,1.806256809,2.232930735,2.723870896,2.862359625,3.504099141,4.257817391,3.034484331,0,0,0,181.8560218,341.6309887,471.7011095,590.8556577,793.3511147,972.8715282,1262.063497,0,0,0,3.678972222,5.467537487,8.554858244,8.606798059,10.45072212,8.277773188,6.825002823,0,0,0,0.428899117,0.552744806,0.676692216,0.720915066,0.863327254,0.938251409,0.698880289,0,0,0,342.9465624,295.5476956,16.8995034,163.7149545,-141.0878045,-23.87439331,179.2316079,436.6355001,40.77389671,0.676875095,0.583323749,0.033354622,0.323124905,-0.278465602,-0.047120992,173.7578255,149.7426438,8.562328029,82.94806721,-71.48376104,-12.09623633,0.243943088,0.452716751,5.132091255,14.72364506,437.6080832,69.05343371,0.863708943,0.136291057,479.2844041,21.89256504,7.825842426,603.8727331,24.57382211,8.452434359,778.1366819,27.8951014,9.19782826,2.226544798,2.226544798,455.8683397,414.341003,70.70904278,1.100225023,6.44710099,5.85980218,3.784779005,4.238046685,7.409353229,0.748294386,3.782243689,3.993851663,6.968497496,11.92558976,7.666395096,3.791065543,4.75383241,7.395951658,2.811216429,3.927221285,3.004204125,3.727366167,0.078112304,0.879453324,1.41E-15,4.38E-52,2.62E-110,3.02E-190,6.71E-292,0,0,0,0,0,0,0,0,0,0,0,0.337322794,4.374887642,0.641459331,3.499257128,0.45145003,0.50427532,1.521069177,0.292526909,0.180693161,0.306210421,0.99133998,0.044448666,5.55E-04,0.006194062,9.95E-18,3.08E-54,1.84E-112,2.12E-192,4.72E-294,0,0,0,0,0,0,0,0,0,0,0,0.969469331,3.666186615,1.341113229,3.993910237,1.236540981,0.731448506,1.410922671,1.116811264,0.350447237,0.716506377,1.353761718,0.32031797,0.005746143,0.064546898,1.04E-16,3.21E-53,1.92E-111,2.21E-191,4.92E-293,0,0,0,0,0,0,0,0,0,0,0,3.793087653,4.373502572,7.972111974,11.79179239,7.046101427,3.668008801,5.433818248,6.828210253,2.575116011,4.256417161,2.86383917,3.333545533,0.069600178,0.783577079,1.26E-15,3.90E-52,2.33E-110,2.69E-190,5.97E-292,0,0,0,0,0,0,0,0,0,0,0,1.361918491,3.396878804,1.591383763,4.618452112,1.983351518,0.962159383,1.403277505,1.846003312,0.576856359,0.926635371,1.616937721,0.650995985,0.012468804,0.140204488,2.25E-16,6.98E-53,4.17E-111,4.81E-191,1.07E-292,0,0,0,0,0,0,0,0,0,0,0,4.748237207,4.234367186,9.827607536,15.49185344,10.39572351,5.342662346,6.432292265,10.09969535,3.9747488,5.482575327,3.543372256,5.376661248,0.113902769,1.282600021,2.06E-15,6.38E-52,3.82E-110,4.40E-190,9.78E-292,0,0,0,0,0,0,0,0,0,0,0,3.484117148,5.180405238,7.457144764,10.35833946,3.803369429,2.476123498,7.359706452,3.537467023,1.398256399,3.330053366,2.637566486,1.427059267,0.028144382,0.316603197,5.09E-16,1.58E-52,9.42E-111,1.09E-190,2.41E-292,0,0,0,0,0,0,0,0,0,0,0,5.340232326,0.729093158,0.509148359,0.811773742,0.110830137,0.539270601,0.375056357,0.391223395,6.578473844,6.983713966,15.54457062,0.717660612,1.305550353,3.871186881,0.607839554,0.143487739,0.837463496,0.131495444,0.283470651,0.270805384,0.033649566,4.622514174,2.995745886,7.955895393,0.756195244,0.587925602,4.657629632,0.559859889,0.296596261,0.844678486,0.101532677,0.409603664,0.235385344,0.143689022,5.514085782,4.155107894,10.44260402,0.767017729,0.788678029,5.192253831,0.749973122,0.486544683,0.807658776,0.116658853,0.509661466,0.400715057,0.362514094,6.428771637,6.785209749,15.10861111,0.711488164,1.272890617,5.005900094,0.563879414,0.373070395,0.842339984,0.094883671,0.473362806,0.235980106,0.222566342,5.942849903,4.900643852,11.89656852,0.763509977,0.931909254,5.388198713,0.759297158,0.530904235,0.806809809,0.11369447,0.549110585,0.404696133,0.422501301,6.678400105,7.354975559,16.20543441,0.710214713,1.376308019,5.233392904,0.753826189,0.490177042,0.80794702,0.116377966,0.517924521,0.402509239,0.364655926,6.477396134,6.87986597,15.29104417,0.71192053,1.285089686 +UMLYSI0382,L,methyl-2-propenoate,C=CC(=O)OC,unsaturated esters,C4H6O2,96-33-3,7294,PubChem,,19.4,0,0.612,0.374544,22.0605,12.644758,0,0,12,6,6,0,4,0,2,0,0,0,0,0,0,0,1095.08887,937.662737,1029.697805,815.57764,305.581417,63.583632,6.096384,0,0,2313.351628,2443.642008,2498.20592,2131.58324,1456.558782,666.9343151,186.5024666,0,0,97.17628,87.888476,132.258404,105.609592,102.30922,55.743552,40.310784,0,0,15.10968543,16.27708586,16.73661682,14.33340333,10.98645314,6.901560265,2.667677429,0,0,1987.585908,1632.353984,2653.440284,2092.640937,2035.574484,1320.365695,1109.505912,0,0,87.02777778,47.83333333,77,70.33333333,56,16,6,0,0,91.25740583,85.242067,64.35611281,62.73674154,25.46511808,7.947954,1.016064,0,0,192.7793023,222.1492734,156.13787,163.9679415,121.3798985,83.36678939,31.08374443,0,0,8.098023333,7.989861455,8.26615025,8.123814769,8.525768333,6.967944,6.718464,0,0,1.259140452,1.479735078,1.046038551,1.102569487,0.915537762,0.862695033,0.444612905,0,0,165.632159,148.3958167,165.8400177,160.9723798,169.631207,165.0457118,184.917652,0,0,7.252314815,4.348484848,4.8125,5.41025641,4.666666667,2,1,0,0,0.278491172,-0.180629049,0.041292498,0.086408082,-0.104412168,8.72E-04,0.017222985,0,0,477.4648617,-4.105665361,79.57747694,-30.46346514,-476.8116772,-35.05876828,228.1296682,0,0,556.6678701,-121.689816,92.77797834,-87.22668534,-268.6229113,-148.9406527,255.368152,0,0,1.724918667,-0.073020111,0.287486444,-0.371953889,-1.259060667,0.241272222,0.312816667,0,0,2.533412169,-0.978627633,0.422235362,-0.752520239,0.048959433,-0.771176425,0.764423418,0,0,14.64019985,-6.12281304,2.440033309,-4.910597228,1.913671807,-4.254504659,3.614109885,0,0,34.24768519,-4.45158179,5.81095679,3.07658179,-29.63657407,0.853395062,7.22337963,0,0,0.023207598,-0.016420823,0.002580781,0.006646776,-0.008701014,1.09E-04,0.002870497,0,0,39.78873847,-0.373242306,4.973592309,-2.343343472,-39.73430643,-4.382346035,38.02161136,0,0,46.38898917,-11.06271055,5.798623647,-6.709745026,-22.38524261,-18.61758158,42.56135867,0,0,0.143743222,-0.006638192,0.017967903,-0.028611838,-0.104921722,0.030159028,0.052136111,0,0,0.211117681,-0.088966148,0.02638971,-0.057886172,0.004079953,-0.096397053,0.127403903,0,0,1.220016654,-0.556619367,0.152502082,-0.377738248,0.159472651,-0.531813082,0.602351647,0,0,2.853973765,-0.404689254,0.363184799,0.236660138,-2.469714506,0.106674383,1.203896605,0,0,-0.707562362,0.111204147,0.28640515,-0.374920924,0.004697097,0.123687831,0,0,-0.009380602,0.125,-0.058894641,-0.998631974,-0.110140361,0.955587255,0,0,-0.238477077,0.125,-0.144640897,-0.482555085,-0.40133622,0.917488383,0,0,-0.046180904,0.125,-0.199048255,-0.729924657,0.209811825,0.362703092,0,0,-0.421405484,0.125,-0.274189125,0.019325491,-0.456603411,0.603473392,0,0,-0.456239155,0.125,-0.309617288,0.130713503,-0.435906412,0.493724119,0,0,-0.141798519,0.12725583,0.082923025,-0.865359919,0.037377492,0.4218317,0,0,1.661684034,1.06266263,1.058151359,1.306608218,0.160447181,4.97E-06,0,0,0.810644456,0.856927473,0.976916757,1.974937708,0.871612634,0,0,0,1.306084456,0.753211505,1.06089041,1.222380982,1.390192474,0,0,0,0.758206184,1.021797525,1.189002772,2.122986378,0.047262373,0,0,0,1.637873578,0.758133488,1.223927117,0.751461818,1.365582561,0,0,0,1.689814067,0.774525194,1.271880395,0.684683731,1.283624032,0,0,0,0.688611017,0.66830855,1.058964827,2.643122677,0.281040892,0,0,0,14.92875896,7.714379478,11.93393603,15.26209229,2.543682048,7.715827462,0.5,0.009674103,0.001612351,-2.782981642,43.85278371,7.308797286,2.26850292,14.93771157,7.718121362,11.93956427,15.27006567,2.545010945,7.719563267,0.498531158,0.010063679,0.00167728,-2.759293491,44.14031521,7.356719201,2.272424125,22.95575093,11.07888099,17.4601848,22.42375829,3.737293049,11.07891863,-0.797988956,0.235261817,0.039210303,-0.868233763,17.7141074,2.952351233,1.72461681,14.94710784,7.722048719,11.94547325,15.27843424,2.546405706,7.723484273,0.4969896,0.010472246,0.001745374,-2.735416059,44.44723919,7.407873198,2.27658171,31.53907222,14.68724185,23.81075042,30.0960132,5.0160022,14.68724274,-2.164588529,0.320361891,0.053393648,-0.682982408,15.37224269,2.562040448,1.639538076,15.8679595,8.107113938,12.53329965,16.09880508,2.683134181,8.108047198,0.346268372,0.048868931,0.008144822,-1.811168066,389.294917,64.88248617,3.578602319,16.04046984,8.431502231,13.47415675,16.56882457,2.761470761,8.43230035,0.882539683,0.079436035,0.013239339,-1.519681902,21.32227126,3.553711877,1.835851275,0,11.99646145,15.99825808,-0.346451944,0.285094204,3.806120625,5.869138928,5,11,9,9,3,2,2,0,0,2,9.433242,3.51877018,2.858161171,2.440382227,1.118097008,1.038457436,0.083923071,0.083923071,0.083923071,1.650506605,1.402379901,0.752155747,0.25299861,0.083923071,0.083923071,0.083923071,1.038457436,3.403856372,2.793680239,2.32601649,1.124599247,0.634086234,0.270913902,0.270913902,0.270913902,1.675755165,1.349493669,0.835706772,0.17894306,0.270913902,0.270913902,0.270913902,0.634086234,3.577085665,3.060892296,2.624652346,1.601005882,1.255826811,0.943918427,0.943918427,0.943918427,1.479704394,1.020227576,0.492089763,0.365639578,0.943918427,0.943918427,0.943918427,1.255826811,3.383604286,2.79226481,2.302195864,1.184088633,0.465143437,0.399277246,0.399277246,0.399277246,1.699110635,1.313619697,0.859818408,0.09643751,0.399277246,0.399277246,0.399277246,0.465143437,3.580278677,3.13237112,2.662676118,1.781222724,1.209058028,1.207644823,1.207644823,1.207644823,1.462775838,0.945082944,0.455589381,0.539548112,1.207644823,1.207644823,1.207644823,1.209058028,4.166670779,3.185252039,2.941749469,1.663600856,1.301729706,0.461538462,0.461538462,0.461538462,1.481683439,1.210309454,0.437746123,0.101505397,0.461538462,0.461538462,0.461538462,1.301729706,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.048112522,0,0,0,0.577350269,0.288675135,0,0.082133213,0.034020691,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,3.600953631,1.513420006,0.727283884,0.36785113,0.083333333,0,0,0,0.600158939,0.302684001,0.145456777,0.091962783,0.083333333,0,0,0,7.05508162,12.32483613,11.8745098,12.08,7.356142515,92.1365018,0.587923468,1.027069677,0.989542484,1.006666667,0.613011876,7.678041816,0.27159,21.943,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,29,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,2,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.98263889,3.874490741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.549375,0.628819444,0,0,0,0,0,1.178194444,0,0,0,0,0,0,0,0,1.309537037,3.156898148,0,0,1.111111111,0,0,0,0,-0.393518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.840277778,4.142361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.142361111,-0.393518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.549375,0.628819444,0,0,0,0,0,0.549375,0,0,0,0,0,0,0,0,1.309537037,3.156898148,0,0,1.111111111,0,0,0,0,-0.393518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.840277778,4.142361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.840277778,3.156898148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.549375,0.628819444,0,0,0,0,0,0.628819444,0,0,0,0,0,0,0,0,1.309537037,3.156898148,0,0,1.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.840277778,4.142361111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.16666667,3.194444444,0.720486111,9.840277778,0.460069444,-0.393518519,1.936210833,2.060185185,2.840277778,7.279074074,2.060185185,2.840277778,7.279074074,2.66666,0.44444,0,0.05556,0.62778,0.95556,0.42,0.58095,0.95556,0.20778,0.04683,-0.16095,0,0.46511,0.24918,0,0.5,0.1875,0,6.25,1.04167,3.25,0.54167,3,0.5,-0.25,-0.04167,0,0,2.10344,0.35057,5.73058,3.62714,0.60452,1.10119,0.18353,2.80805,1.70686,0.28448,0.10595,0.01766,0.10595,0.01766,0,5.02,2,2,2,2,0,0,0.25,1.459147917,2.79248125,3.022055209,3.022055209,2.723308334,1.827067709,17.509775,33.509775,36.26466251,36.26466251,32.67970001,21.9248125,0.407019018,0.778942946,0.842980982,0.842980982,0.759647649,0.509647649,2.125814584,0.79248125,0.562907292,0.562907292,0.861654167,1.757894792,0.39431744,0.754634979,0.816674622,0.816674622,0.735941818,0.493743406,13.73480493,24.90453655,25.13590694,25.13590694,21.55094444,8.409120416,22.57293334,14.949875,14.61027604,14.61027604,12.81779479,6.245363543,6,3.2,3,6,5,3,1.68,0.7036,0.25,1.154700538,1,0,0,1,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.447,0.442,0.598,0.207,2.253,5,4,1,0,0,0,0,0,0,21,2.079441542,2.197224577,2.302585093,1.098612289,0,0,0,0,0,0,3.496507561,1.523809524,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,3,0.6,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,26.3,90.0479332,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,86.03677943,7.169731619,10.6758508,1.779308466,5.017663252,5.017663252,0,31,4,0.533,20,1.207090909,2.082168228,2.878597701,3.542620532,4.77433364,5.307707664,0,0,0,0,111.5327877,143.2372033,184.3054823,99.55456878,38.80103865,5.39297068,0,0,0,0,281.4245556,342.4767756,485.1336085,461.810372,404.4685164,164.9834286,0,0,0,0,9.741635708,17.32784863,23.40645767,29.67868842,33.29805581,35.65964287,0,0,0,0,1.834585348,2.262031841,3.255565463,3.511077147,4.170352639,2.359875323,0,0,0,0,178.4784229,342.7614847,462.1095356,591.2892489,785.5326469,981.4888389,0,0,0,0,5.429424242,10.38835716,15.27699928,15.31207588,9.651895471,5.307707664,0,0,0,0,0.454647273,0.60532675,0.858935648,0.906158243,0.910090149,0.543509265,0,0,0,0,293.6183218,196.5199216,16.09773283,120.9809332,-80.97302432,-22.59379578,172.6373885,277.4929459,38.69152861,0.7081979,0.473999698,0.038827211,0.2918021,-0.195304317,-0.054495505,121.7339375,81.47701308,6.674108037,50.15860478,-33.57135556,-9.367370898,0.425931935,0.4715338,6.737677435,10.94442903,338.7471366,75.85211837,0.817047143,0.182952857,495.9527773,22.26999725,7.915531999,554.7119307,23.55232325,8.216543691,781.1576796,27.94919819,9.209715947,1.771538619,1.771538619,237.2834577,197.7290438,42.92526237,1.20004352,5.527827777,4.606356091,3.037057214,3.280632934,6.189405725,0.886649878,1.931620515,0.693213164,4.078787367,2.395163026,3.769514552,2.492265906,0.666776211,2.786440784,0.305210382,0.966746346,0.055337433,1.29E-04,5.82E-29,5.06E-75,8.48E-143,2.74E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.17862984,0.791990122,0.765450393,1.17716027,0.324666044,2.091965157,0.037525748,1.110302678,0.010036265,0.080439751,3.90E-04,9.10E-07,4.10E-31,3.56E-77,5.97E-145,1.93E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.529185476,0.515721903,0.863865065,0.881940203,0.832319623,1.670677613,0.130346809,1.325901454,0.042663026,0.260125678,0.004061454,9.49E-06,4.27E-30,3.71E-76,6.22E-144,2.01E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.828408207,0.858894981,4.76479571,2.543069774,3.977614842,2.765016181,0.622469164,2.958589382,0.277367377,0.912052814,0.049304656,1.15E-04,5.19E-29,4.51E-75,7.56E-143,2.44E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.772332632,0.408791815,0.952526042,0.861896404,1.115091966,1.54985409,0.202914131,1.430461964,0.073262581,0.383839095,0.008822022,2.06E-05,9.28E-30,8.07E-76,1.35E-143,4.37E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.332731191,0.815754636,5.739050787,3.064230306,5.010665467,2.854328598,0.872130356,3.465208166,0.419396617,1.169745192,0.080704445,1.89E-04,8.49E-29,7.38E-75,1.24E-142,4.00E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.00378208,0.916003046,3.569171148,3.449417404,2.884222559,3.105879762,0.244123167,2.237906837,0.108719578,0.40995857,0.011787855,2.75E-05,1.24E-29,1.08E-75,1.81E-143,5.84E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.114890379,0.690849464,0.139361512,0.832114467,0.139703803,0.611286853,0.384061446,0.166666667,4.945101355,3.512504985,8.853779041,0.748171701,1.162014965,2.278940913,0.47954073,0.019580867,0.820334641,0.172616969,0.187154634,0.169249727,0.003290235,2.77806251,1.146858452,3.946319814,0.730501962,0.359694596,3.180539782,0.486334811,0.064217493,0.852442049,0.130346504,0.364721208,0.187589369,0.035389118,3.731092087,1.782284708,5.612708876,0.778663073,0.587699696,3.869953119,0.695912492,0.128078847,0.824456521,0.148257505,0.540236142,0.386507539,0.140772513,4.693944458,3.277939522,8.316819362,0.736684782,1.067516194,3.652200246,0.510318113,0.090771293,0.858676588,0.11998198,0.481597161,0.209758688,0.070706623,4.253289652,2.241621112,6.664088842,0.788014882,0.762062472,4.185482038,0.725521226,0.147796821,0.827366563,0.143417651,0.632392199,0.423290587,0.187453361,5.058800086,3.76248673,9.270094927,0.741049844,1.243136146,3.949374357,0.691837481,0.130504264,0.827663313,0.144987142,0.562912705,0.383974486,0.146154588,4.771716102,3.338023141,8.466319334,0.741494969,1.093041779 +UMLYSI0383,L,2-propanol,CC(C)O,saturated alcohols,C3H8O,67-63-0,3776,PubChem,,19.2,0,-0.4081,0.16654561,17.7599,11.416344,0,0,12,4,8,0,3,0,1,0,0,0,0,0,0,0,696.888876,581.568839,659.779267,200.731104,15.24096,0,0,0,0,1735.611438,2034.933251,2330.12155,1627.560926,466.2561665,0,0,0,0,89.720976,84.409508,141.448924,160.797312,100.77696,0,0,0,0,12.56680724,15.24671816,18.69192421,15.22925273,6.669193573,0,0,0,0,2045.17557,1663.974151,3106.274131,3630.509606,2773.76478,0,0,0,0,53.77777778,32.66666667,53.33333333,59,15,0,0,0,0,58.074073,52.86989445,34.72522458,9.558624,1.016064,0,0,0,0,144.6342865,184.9939319,122.6379763,77.50290123,31.08374443,0,0,0,0,7.476748,7.673591636,7.444680211,7.657014857,6.718464,0,0,0,0,1.047233937,1.386065287,0.983785484,0.725202511,0.444612905,0,0,0,0,170.4312975,151.2703774,163.4881122,172.8814098,184.917652,0,0,0,0,4.481481481,2.96969697,2.807017544,2.80952381,1,0,0,0,0,0.211497882,-0.108781346,0.026211987,-0.061258466,0.038078884,0,0,0,0,395.928108,-64.994009,2.909955,-375.88,240,0,0,0,0,514.4985023,-83.59670822,-117.6972482,-361.3690424,305.4137477,0,0,0,0,1.005444,-0.116045,-0.001613,-0.626999,0.241935,0,0,0,0,2.213391858,-0.321809643,-0.941495052,-0.873593646,1.030202411,0,0,0,0,12.32382793,-1.706534756,-5.85257392,-3.6994235,5.09661821,0,0,0,0,22.62962963,-5.37345679,3.836419753,-15.37962963,5.601851852,0,0,0,0,0.017624823,-0.009889213,0.001379578,-0.00291707,0.002538592,0,0,0,0,32.994009,-5.908546273,0.153155526,-17.89904762,16,0,0,0,0,42.87487519,-7.599700747,-6.194592012,-17.20804964,20.36091652,0,0,0,0,0.083787,-0.010549545,-8.49E-05,-0.029857095,0.016129,0,0,0,0,0.184449322,-0.029255422,-0.049552371,-0.041599697,0.068680161,0,0,0,0,1.026985661,-0.155139523,-0.308030206,-0.176163024,0.339774547,0,0,0,0,1.885802469,-0.488496072,0.201916829,-0.732363316,0.37345679,0,0,0,0,-0.561095736,0.078274728,-0.165509163,0.144035046,0,0,0,0,-0.179079368,0.004641919,-0.54249387,0.484936523,0,0,0,0,-0.177253012,-0.144480701,-0.401355096,0.474891564,0,0,0,0,-0.125909096,-0.001013221,-0.3563452,0.19250003,0,0,0,0,-0.15860954,-0.26865033,-0.225534565,0.372352472,0,0,0,0,-0.151062989,-0.299936229,-0.171534064,0.330846437,0,0,0,0,-0.259038834,0.107072099,-0.388356325,0.198036007,0,0,0,0,1.418358275,0.688978637,1.523505537,0.354256573,0,0,0,0,1.374108413,0.984193625,1.532625171,0,0,0,0,0,1.646057103,1.225690471,1.171678711,0,0,0,0,0,1.053425153,0.860902091,1.812151599,0,0,0,0,0,1.765768429,1.384067982,0.96567884,0,0,0,0,0,1.778171464,1.416866364,0.929507285,0,0,0,0,0,1.188216039,0.764665346,1.82861819,0,0,0,0,0,8.415535113,4.332767557,6.332767557,8.540535113,2.135133778,4.357802113,0.25,3.11E-16,7.78E-17,-14.28248174,3000000,750000,5.965649139,8.41810197,4.333683775,6.333683775,8.54273476,2.13568369,4.358689039,0.249265579,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,10.69675404,5.148879779,7.992769444,10.4972568,2.624314199,5.158633267,-0.398994478,0.073991008,0.018497752,-1.041524683,11.6047489,2.901187226,0.980565761,8.420795947,4.334645373,6.334645373,8.545043347,2.136260837,4.359619941,0.2484948,1.28E-16,3.19E-17,-14.63848017,3000000,750000,5.965649139,13.11705207,6.017378904,10.38837299,12.57590494,3.143976235,6.021343059,-1.082294264,0.129021296,0.032255324,-0.819111121,9.262519914,2.315629979,0.890390456,8.684408104,4.428771145,6.428771145,8.770975197,2.192743799,4.450956534,0.173134186,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,8.48128573,4.536939162,6.796198421,8.777582027,2.194395507,4.559343268,0.592592593,0,0,0,3000000,750000,5.965649139,0,11.99654878,15.99794171,-0.418896895,0.07486602,3.945672571,5.604827833,3,11,11,11,3,0,0,0,0,0,8.745656,3.327298508,2.333552793,2.050718012,0.946297645,0.083923071,0.083923071,0.083923071,0.083923071,1.746619105,1.249629723,0.695691584,0.298205291,0.083923071,0.083923071,0.083923071,0.083923071,3.300264213,2.405454588,1.838320064,0.994263968,0.270913902,0.270913902,0.270913902,0.270913902,1.707186664,1.134540686,0.726187295,0.171933476,0.270913902,0.270913902,0.270913902,0.270913902,3.488000783,2.704236987,2.352126678,1.541750422,0.943918427,0.943918427,0.943918427,0.943918427,1.467944726,0.76031856,0.17761149,0.426096395,0.943918427,0.943918427,0.943918427,0.943918427,3.309694531,2.457539916,1.808832842,1.051813907,0.399277246,0.399277246,0.399277246,0.399277246,1.683357408,1.058262671,0.732913573,0.075999043,0.399277246,0.399277246,0.399277246,0.399277246,3.54281027,2.838982085,2.425511458,1.738493201,1.207644823,1.207644823,1.207644823,1.207644823,1.410422693,0.631337262,0.084145157,0.620073464,1.207644823,1.207644823,1.207644823,1.207644823,4.119428526,2.999154211,2.598486893,1.300176879,0.5625,0.5625,0.5625,0.5625,1.547596572,0.910986893,0.207285284,0.273622241,0.5625,0.5625,0.5625,0.5625,0,0,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0.577350269,0,0,0,0.25819889,0,0,0,0,0,0,0,0,0,3.577350269,1.732050808,1.732050808,0,0,0,0,0,0.894337567,0.577350269,0.577350269,0,0,0,0,0,3.024563865,1.412899428,1.093748049,0,0,0,0,0,0.756140966,0.470966476,0.364582683,0,0,0,0,0,5.88211032,11.8820102,11.25098039,11.44,6.674457485,93.52484671,0.49017586,0.990167516,0.937581699,0.953333333,0.55620479,7.793737226,0.3871,17.3548,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.727777778,0,8.055555556,0,0,0,0,0,0,0,0,0,0,0.727777778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.072222222,0,0,0,0,0,0,0,0,0,0,0,3.444444444,0,0,0,0,0,-0.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.727777778,0,8.055555556,0,0,0,0,0,0,0,0,0,0,0.727777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,1.722222222,0,0,0,0,0,-0.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.727777778,0,8.055555556,0,0,0,0,0,0,0,0,0,0,0.727777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.722222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.33333333,2.833333333,0.727777778,8.055555556,0.311111111,-0.166666667,1.417166667,1.5,2.055555556,4.111111111,1.5,2.055555556,4.111111111,1.83333,0.45833,0,0.04167,0.49722,0.89167,0.41429,0.49722,0.77333,0.08294,0,-0.08294,0.11833,0.51402,0.20027,0,0.72727,0.27273,0,1.75,0.4375,1.75,0.4375,0,0,-1.75,-0.4375,0,0,2.59204,0.64801,3.23204,0.64,0.16,1.42538,0.35635,1.73204,0.30666,0.07667,0.18196,0.04549,0.18196,0.04549,0,3.01,1,1,1,1,1,1,1,1.188721876,1.78067213,2.125814584,1.827067709,0.798746875,0,14.26466251,21.36806555,25.509775,21.9248125,9.584962501,0,0.331585582,0.496705929,0.592980982,0.509647649,0.222804806,0,2.396240625,1.804290371,1.459147917,1.757894792,2.786215626,3.584962501,0.343617682,0.51472968,0.614498223,0.52814101,0.230889627,0,11.17145733,14.29155673,14.63939994,11.05443743,0.804997095,0,14.509775,12.82635907,12.949875,11.15739375,3.298746875,0,4,1.333333333,0,4,0,3,1.68,0.59,0.5,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.403,0.395,0.41,0.19,1.893,3,0,0,0,0,0,0,0,0,10,1.386294361,1.386294361,0,0,0,0,0,0,0,0,2.397895273,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,1,0,1,2,1,1.5,0,0,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0.5,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,20.23,69.23463928,3,2.564949357,2.944438979,3.610917913,4.007333185,4.691347882,5.093750201,5.783825182,6.188264123,6.880384082,48.76521091,1.945910149,0,2.944438979,0,4.007333185,0,5.093750201,0,6.188264123,6.59441346,60.05751488,5.004792906,6.732050808,1.683012702,2.244016936,2.244016936,0,9,0,0.384,12,1.198272727,2.076943072,2.805640227,3.228527319,0,0,0,0,0,0,74.39639766,81.89830487,27.41007857,3.280390382,0,0,0,0,0,0,244.1480966,274.2656709,220.6704826,100.3547181,0,0,0,0,0,0,9.21920257,15.59979694,21.54758269,21.69074457,0,0,0,0,0,0,1.777465386,2.139642798,2.054210602,1.43544491,0,0,0,0,0,0,178.9658466,336.49182,484.2031792,597.0116913,0,0,0,0,0,0,3.620969697,6.276123874,8.007439692,3.228527319,0,0,0,0,0,0,0.404463327,0.517919812,0.522123073,0.330601197,0,0,0,0,0,0,323.0158077,152.2911023,18.58489037,124.8961512,-58.88433968,-17.44299891,198.1196565,211.175442,36.02788927,0.72115915,0.340002313,0.041492284,0.27884085,-0.131464094,-0.038942918,144.6826432,68.21300597,8.324394652,55.94247977,-26.37499994,-7.812927811,0.445614511,0.83363786,20.21856463,29.55761943,367.0834515,80.82850749,0.819543761,0.180456239,221.8430372,14.89439617,6.053621557,307.6832218,17.5409014,6.75099736,311.9871683,17.6631585,6.782329904,1.116395703,1.013996865,103.2010936,61.52988661,57.90276634,1.677251484,1.782317153,1.062641571,2.737880619,2.151830091,4.10168977,0.906140168,2.666641284,2.27984793,2.391129336,3.009588598,5.417745331,1.106896213,0.909768482,2.58E-07,1.80E-35,2.42E-85,6.30E-157,3.16E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.243697775,2.406771445,0.182410962,2.014260264,0.199033708,0.007918785,0.006407574,1.81E-09,1.27E-37,1.71E-87,4.44E-159,2.22E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.667237046,2.170543815,0.509607697,1.799849596,0.693172711,0.081554856,0.066771859,1.89E-08,1.32E-36,1.78E-86,4.63E-158,2.32E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.740049911,2.406388566,2.424064708,3.268203301,5.169667307,0.986310396,0.810587339,2.29E-07,1.60E-35,2.16E-85,5.61E-157,2.81E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.91648382,2.080782262,0.717208247,1.76361055,1.13262816,0.176845923,0.145037401,4.11E-08,2.87E-36,3.87E-86,1.00E-157,5.04E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.400985737,2.36006039,3.157961151,3.532182775,7.648530938,1.61390492,1.32681183,3.76E-07,2.62E-35,3.54E-85,9.19E-157,4.61E-250,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.532736696,2.569412102,1.905362647,5.124249924,3.286987128,0.350739191,0.287856434,8.15E-08,5.69E-36,7.67E-86,1.99E-157,9.99E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.5898373,0.891875508,0.503162273,0.532631101,0.298798269,0.578323397,0.4473766,0.405102154,2.98487508,2.666641205,6.364968662,0.298946651,1.430802151,0.947139307,0.885359432,0.13606429,0.481132325,0.449749091,0.446874843,0.180505287,0.030401318,1.96856303,1.08789636,3.170557286,0.396322123,0.657781447,1.25969932,0.75604263,0.301873452,0.543532511,0.326215743,0.361736148,0.314356763,0.149759726,2.317615402,1.560885369,4.166000938,0.315298767,0.825852637,1.531621301,0.940596569,0.480650409,0.518689341,0.318536582,0.538051625,0.502384074,0.370522961,2.952868279,2.628910271,6.274221668,0.278034011,1.41095866,1.416552926,0.714561015,0.378732794,0.564398179,0.284703048,0.45734793,0.280855925,0.235021881,2.509846735,1.819336234,4.712541415,0.346597268,0.973225737,1.615719094,0.925121375,0.522569347,0.527425056,0.301990733,0.597984065,0.483645396,0.435464262,3.063409816,2.822501614,6.667014786,0.291137584,1.517093723,1.540230909,0.935786445,0.481798681,0.52073249,0.316377501,0.543880866,0.496424999,0.372164064,2.957816035,2.634269102,6.286514683,0.281098735,1.412469929 +UMLYSI0384,L,"1,2-epoxybutane",CCC1CO1,cyclic saturated ethers,C4H8O,106-88-7,7834,PubChem,,18.8,0,-0.4296,0.18455616,18.5395,13.176344,0,0,13,5,8,0,4,0,1,0,0,0,0,0,0,0,841.152997,913.977045,667.331495,475.699438,116.028864,6.096384,0,0,0,2159.128339,2793.90264,2813.3257,2119.00404,1037.310185,186.5024666,0,0,0,97.261492,99.630372,165.414692,160.642432,111.030912,40.310784,0,0,0,15.35570724,19.95373448,22.99349589,18.5522595,10.28431584,2.667677429,0,0,0,2171.969926,1912.050107,3571.421156,3724.66314,2615.589133,1109.505912,0,0,0,30.52777778,30.25,42.5,39,26,6,0,0,0,64.70407669,70.30592654,30.33324977,21.62270173,7.7352576,1.016064,0,0,0,166.0867953,214.9155877,127.8784409,96.31836547,69.15401232,31.08374443,0,0,0,7.481653231,7.663874769,7.518849636,7.301928727,7.4020608,6.718464,0,0,0,1.181208249,1.534902652,1.045158904,0.843284523,0.685621056,0.444612905,0,0,0,167.0746097,147.0807774,162.3373253,169.30287,174.3726089,184.917652,0,0,0,2.348290598,2.326923077,1.931818182,1.772727273,1.733333333,1,0,0,0,0.169591481,-0.044410835,-0.046544893,0.014937207,-0.016953965,0.008176746,0,0,0,441.1976548,25.77965908,-210.9138449,-14.24416022,-144.8188485,123.5983672,0,0,0,616.1115392,-56.84338354,-261.5561153,-39.02487296,-120.4061862,169.7747883,0,0,0,1.006116923,0.022630154,-0.288845562,-0.076092639,-0.260715527,0.099965112,0,0,0,2.72042466,-0.59382257,-0.90586485,-0.268632819,-0.202762897,0.610870806,0,0,0,15.16770937,-3.820079871,-4.574308952,-1.662295296,-0.619628635,3.092458072,0,0,0,6.064102564,-0.615384615,-2.06574622,0.835963182,-2.016272189,0.82938856,0,0,0,0.013045499,-0.003416218,-0.002115677,6.79E-04,-0.001130264,0.001362791,0,0,0,33.93828114,1.983050698,-9.586992951,-0.647461828,-9.6545899,20.59972786,0,0,0,47.39319532,-4.372567964,-11.88891433,-1.773857862,-8.027079078,28.29579805,0,0,0,0.077393609,0.001740781,-0.013129344,-0.003458756,-0.017381035,0.016660852,0,0,0,0.209263435,-0.045678659,-0.041175675,-0.012210583,-0.013517526,0.101811801,0,0,0,1.166746874,-0.293852298,-0.207923134,-0.075558877,-0.041308576,0.515409679,0,0,0,0.466469428,-0.047337278,-0.093897555,0.037998326,-0.134418146,0.138231427,0,0,0,-0.261869492,-0.162176782,0.052045842,-0.08664018,0.104464462,0,0,0,0.058431088,-0.282483161,-0.019077626,-0.284474923,0.606976169,0,0,0,-0.092261514,-0.25085699,-0.037428535,-0.169371975,0.597043476,0,0,0,0.022492569,-0.169643771,-0.044690464,-0.22457972,0.215274261,0,0,0,-0.218283042,-0.196764786,-0.058350293,-0.06459574,0.486524561,0,0,0,-0.251856083,-0.178207578,-0.0647603,-0.035404916,0.441749355,0,0,0,-0.101479915,-0.201294125,0.081459414,-0.288160677,0.296335447,0,0,0,1.217453638,1.207039318,0.778336036,1.214738464,0.045627992,0,0,0,1.046455482,1.249792652,0.886363636,1.160042692,0,0,0,0,1.400782816,1.222266289,0.886363636,0.893331003,0,0,0,0,0.843451136,1.211373395,0.886363636,1.392328037,0,0,0,0,1.621620514,1.190883652,0.886363636,0.747966198,0,0,0,0,1.669131046,1.181268642,0.886363636,0.720892419,0,0,0,0,0.997885835,1.209302326,0.779550259,1.418181818,0,0,0,0,13.07567983,6.662839915,10.80891569,13.22567983,2.645135966,6.666009719,0.25,0.148591854,0.029718371,-0.953275984,15.14030103,3.028060206,1.358680065,13.07841798,6.663841782,10.81020974,13.22797733,2.645595466,6.66700731,0.249265579,0.148508127,0.029701625,-0.953557797,15.1416854,3.028337079,1.358725781,15.55017278,7.575589151,12.11835379,15.31077609,3.062155219,7.576651339,-0.398994478,0.05755474,0.011510948,-1.42750939,18.94544389,3.789088777,1.470781737,13.08129189,6.664893344,10.81156824,13.23038877,2.646077754,6.668054393,0.2484948,0.148420217,0.029684043,-0.953853862,15.14314156,3.028628313,1.358773864,18.22941185,8.573558794,13.98567854,17.58003529,3.516007059,8.573930702,-1.082294264,0.064963359,0.012992672,-1.366965937,32.86276834,6.572553667,1.746170178,13.36321631,6.768175247,10.94631093,13.46709682,2.693419364,6.770932361,0.173134186,0.139629683,0.027925937,-0.984380741,15.30289569,3.060579138,1.364021036,13.70974734,7.013682892,11.65745046,13.84442928,2.768885855,7.016257915,0.45734127,0.126003172,0.025200634,-1.0357241,14.78646163,2.957292326,1.346856004,0,11.99693555,15.99741702,-0.393849745,0.095293193,4.484810223,5.839277067,5,13,13,13,5,0,0,0,0,0,10.661656,3.634337204,2.846010089,1.760819913,1.140268847,0.685198015,0.083923071,0.083923071,0.083923071,1.721895415,1.242405534,0.9253277,0.509284163,0.083923071,0.083923071,0.083923071,0.083923071,3.55396663,2.848575364,1.839871327,1.197667388,0.468741968,0.270913902,0.270913902,0.270913902,1.652956966,1.156677695,0.878487699,0.422245606,0.270913902,0.270913902,0.270913902,0.270913902,3.73400586,3.084772267,2.199100802,1.670139034,1.106001021,0.943918427,0.943918427,0.943918427,1.43910617,0.852108138,0.473566966,0.07709878,0.943918427,0.943918427,0.943918427,0.943918427,3.542379718,2.867874928,1.900513251,1.270190017,0.432377188,0.399277246,0.399277246,0.399277246,1.609416953,1.105681438,0.860280946,0.360607263,0.399277246,0.399277246,0.399277246,0.399277246,3.757412534,3.169184625,2.35709213,1.856747342,1.208341466,1.207644823,1.207644823,1.207644823,1.374378712,0.75984696,0.394987328,0.220400267,1.207644823,1.207644823,1.207644823,1.207644823,3.864372277,3.138945627,2.056510841,1.589974892,1.214943715,0.631578947,0.631578947,0.631578947,1.52303886,0.968350182,0.544193492,0.092322711,0.631578947,0.631578947,0.631578947,0.631578947,0,0,0,0,0,2,2,0,0,0.288675135,0.204124145,0,0,0,0.166666667,0.11785113,0,0,0,0.204124145,0,0,0,0.11785113,0,0,0,0.204124145,0,0,0.11785113,0,0,3.698670613,2.431851653,1.851623963,0.98559856,0.40824829,0,0,0,0.739734123,0.486370331,0.308603994,0.24639964,0.204124145,0,0,0,3.399812122,2.047980757,1.363590092,0.691044062,0.23570226,0,0,0,0.679962424,0.409596151,0.227265015,0.172761015,0.11785113,0,0,0,6.88211032,12.8820102,12.25098039,12.44,7.674457485,100.2675413,0.529393102,0.990923861,0.942383107,0.956923077,0.590342883,7.712887794,0.7952,20.031,9.863036119,15.50058986,19.72607224,3.945214447,9.863133662,0.087471204,0.017494241,-1.21822282,21.86654392,4.373308785,1.542478897,25,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,1,0,2,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.857638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.473611111,0,0,0,0,0,0,0,0,0,0,0,2.136574074,0,2.204861111,0,0,0,0.634259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.857638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.857638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,2.136574074,0,1.010416667,0,0,0,0.634259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.857638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.857638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.136574074,0,1.194444444,0,0,0,0.634259259,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.857638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.833333333,1.966666667,0.45,4.857638889,0.2625,0.634259259,2.255303241,0.699074074,1.357638889,2.988425926,0.699074074,1.357638889,2.988425926,2.33333,0.46667,0,0.03333,0.51282,0.85333,0.43333,0.51282,0.85333,0.07949,0,-0.07949,0,0.54687,0.16742,0,0.21429,0.21429,0,3,0.6,3,0.6,0,0,-3,-0.6,0,0,2.99873,0.59975,3.69192,0.6932,0.13864,1.97324,0.39465,2.43185,0.4586,0.09172,-0.01785,-0.00357,0.06815,0.01363,0.230769231,5.01,1,1,1,1,0,0,1,1.238901257,1.854285872,3.026986833,3.026986833,2.742337624,2.173039206,16.10571634,24.10571634,39.35082883,39.35082883,35.65038912,28.24950968,0.334798389,0.501098792,0.818007335,0.818007335,0.741084258,0.587238105,2.461538462,1.846153846,0.673452885,0.673452885,0.958102094,1.527400512,0.334798389,0.501098792,0.818007335,0.818007335,0.741084258,0.587238105,11.26589917,18.65051456,19.83239194,19.83239194,16.41660143,12.71393433,18.28260559,12.5570933,12.51979411,12.51979411,10.81189885,8.81935439,3.2,1,0.64,2,0,2,1.79,0.6223,0,1.154700538,0.5,0,0.5,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.42,0.414,0.423,0.246,2.257,6,4,2,0,0,0,0,0,0,22,1.791759469,1.945910149,1.609437912,1.098612289,0,0,0,0,0,0,3.135494216,1,0.333333333,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,2,0.4,0,2,3,0.5,1,0.5,0.222222222,0,0,0,0,0,0,0,0.2,0.166666667,0.111111111,0,0,0,0,0,0,0,0.477777778,7.00860759,11.27121421,14.01721518,2.803443036,7.010645418,0.11781708,0.023563416,-1.069311014,15.8369439,3.167388779,1.381172716,12.53,74.1741652,3.321928095,3.135494216,3.891820298,4.672828834,5.459585514,6.251903883,7.044905117,7.839525582,8.633908991,9.428913495,66.35888593,2.397895273,1.945910149,3.555348061,3.713572067,4.96284463,5.416100402,6.466144724,7.070724107,8.010027528,8.573573525,72.05751488,5.54288576,9.148995135,1.829799027,2.705815798,2.705815798,0,17,2,0.628,22,1.314998536,2.248699739,3.026016064,3.831421812,4.914952841,0,0,0,0,0,112.4560459,77.55897947,71.06689034,29.77465857,4.993906643,0,0,0,0,0,315.9804824,310.4765548,312.3617029,274.2196227,152.775138,0,0,0,0,0,10.27645904,17.08053408,22.18639286,28.07724219,33.02093372,0,0,0,0,0,2.153797683,2.471854838,2.688983672,2.742326666,2.18525146,0,0,0,0,0,191.4997332,361.8229618,507.9740227,662.0150687,908.8615391,0,0,0,0,0,3.298933788,4.538486762,5.493356089,6.457591275,4.914952841,0,0,0,0,0,0.499377467,0.578492207,0.632298581,0.659344133,0.503291171,0,0,0,0,0,282.5559559,130.7073553,11.71394927,98.18764768,-45.42055293,-15.22243508,184.3683082,176.1279082,26.93638435,0.742116094,0.343294947,0.030765978,0.257883906,-0.11929433,-0.039980803,107.5813729,49.76598947,4.460011256,37.38431881,-17.293585,-5.795844789,0.175612123,0.805165012,1.949535848,26.18627174,348.2207402,32.52286343,0.91458067,0.08541933,306.541627,17.50833022,6.74263762,385.5009062,19.63417699,7.277939947,408.0594499,20.20048143,7.417219759,1.727927614,1.727927614,178.3483922,157.5440762,51.70375113,1.13205394,3.449428489,3.047053121,3.142769139,3.240213689,5.789378672,0.786727428,2.826417165,2.943910332,1.387284884,4.885674388,4.179832124,1.547441344,1.912183103,0.631432839,0.645390211,0.037525234,0.011841625,1.17E-22,2.24E-64,8.23E-128,5.85E-213,8.008E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.237201607,3.273668379,0.500049863,2.203519679,0.969857387,0.143939972,0.555520541,0.004618303,0.049912895,2.64E-04,8.34E-05,8.25E-25,1.58E-66,5.80E-130,4.12E-215,5.63E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765715703,2.659468016,0.550400455,2.280944462,1.062287997,0.271683717,0.66298402,0.04678311,0.163925508,0.00275414,8.69E-04,8.60E-24,1.64E-65,6.04E-129,4.29E-214,5.88E-321,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.667907244,3.272901106,1.382685768,5.125002123,4.260373641,1.831848965,1.77861843,0.562713084,0.606269175,0.033434308,0.010550675,1.04E-22,1.99E-64,7.34E-128,5.21E-213,7.135E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.12852406,2.426100452,0.627890046,2.438742592,1.212437283,0.298377536,0.784677503,0.101198203,0.244429485,0.00598236,0.001887819,1.87E-23,3.57E-65,1.31E-128,9.32E-214,1.2767E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.413308057,3.152590613,1.691784312,5.885830703,5.78751996,2.247069126,2.51215847,0.920327469,0.793265229,0.054727028,0.017269898,1.71E-22,3.26E-64,1.20E-127,8.53E-213,1.16787E-319,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.826297263,3.785244782,1.116662495,4.804954257,3.547409756,1.857692795,1.249790736,0.252322964,0.466133896,0.014968515,0.004723529,4.67E-23,8.92E-65,3.28E-128,2.33E-213,3.194E-320,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.9749539,0.669292664,0.599837945,0.700964812,0.157700126,0.515997362,0.367264892,0.383864621,4.244084509,4.177072191,9.615502923,0.551447218,1.267126875,2.050588753,0.554058969,0.217515743,0.726601693,0.196324195,0.267318153,0.308641073,0.038262083,2.822163465,1.702698976,4.77199232,0.58990254,0.614221309,2.474424406,0.491979643,0.405086462,0.733925959,0.145923484,0.360344873,0.245309303,0.138309522,3.371490511,2.419016557,6.28364573,0.600888938,0.743963698,2.895233793,0.647281603,0.626424227,0.694477266,0.155262887,0.489966758,0.436097304,0.496518704,4.168939623,4.093149041,9.436027443,0.541715899,1.422582766,2.683045261,0.508807743,0.460755252,0.734555987,0.139299839,0.420274301,0.235980071,0.257079109,3.652608255,2.835817236,7.11742746,0.60183398,0.913333481,3.022706814,0.69721035,0.626810946,0.695398179,0.160398887,0.532656965,0.396285079,0.415123421,4.34672811,4.439147273,10.10685593,0.543097269,1.344065465,2.933912079,0.652620999,0.613131403,0.698606304,0.155398366,0.502416993,0.367158893,0.430237965,4.199664481,4.113748689,9.487395874,0.547909455,1.299813851 +UMLYSI0385,L,isobutyric acid,CC(C)C(=O)O,saturated esters,C4H8O2,79-31-2,6590,PubChem,,18.8,1,0.4945,0.24453025,22.3059,13.978344,0,0,14,6,8,0,4,0,2,0,0,0,0,0,0,0,1097.120998,917.996949,1200.255606,980.52546,227.89872,6.096384,0,0,0,2375.519116,2761.179655,3426.269117,3135.03738,1524.474245,186.5024666,0,0,0,110.613208,101.983908,167.528136,201.38904,195.07392,40.310784,0,0,0,15.99891124,19.37495816,25.49170453,24.10541742,13.0904335,2.667677429,0,0,0,2357.421212,1944.111836,3513.2524,4269.025176,4377.632936,1109.505912,0,0,0,105.5555556,48.55555556,91.33333333,101.3333333,92,6,0,0,0,78.36578557,70.61514992,54.557073,37.71251769,9.49578,1.016064,0,0,0,169.6799369,212.398435,155.7395053,120.5783608,63.51976019,31.08374443,0,0,0,7.900943429,7.844916,7.614915273,7.745732308,8.12808,6.718464,0,0,0,1.142779374,1.490381397,1.158713842,0.927131439,0.545434729,0.444612905,0,0,0,168.3872294,149.5470643,159.6932909,164.193276,182.4013723,184.917652,0,0,0,7.53968254,3.735042735,4.151515152,3.897435897,3.833333333,1,0,0,0,0.309736833,-0.229273003,0.11245781,0.025324402,-0.094880373,0.031502748,0,0,0,542.6447669,-53.76997608,168.6745964,-157.165741,-396.6667332,167.6054705,0,0,0,629.6301992,-55.77123736,6.312615424,-422.6557434,-30.3181521,187.6174178,0,0,0,1.814294857,-0.179448653,0.99486351,-0.317221878,-1.635164898,0.22982449,0,0,0,2.75181886,-0.220612097,-0.322052455,-2.531084594,1.136222511,0.561617205,0,0,0,15.67280268,-1.230135652,-1.900088998,-15.02816718,7.666726085,2.655264405,0,0,0,49.55555556,-6.111111111,24.66666667,-5.333333333,-44,6,0,0,0,0.022124059,-0.017636385,0.005111719,9.74E-04,-0.003953349,0.005250458,0,0,0,38.76034049,-4.136152006,7.667027108,-6.044836193,-16.52778055,27.93424508,0,0,0,44.97358566,-4.290095181,0.286937065,-16.25599013,-1.263256337,31.26956963,0,0,0,0.12959249,-0.013803743,0.045221069,-0.012200841,-0.068131871,0.038304082,0,0,0,0.19655849,-0.016970161,-0.014638748,-0.097349407,0.047342605,0.093602868,0,0,0,1.119485906,-0.094625819,-0.086367682,-0.57800643,0.31944692,0.442544068,0,0,0,3.53968254,-0.47008547,1.121212121,-0.205128205,-1.833333333,1,0,0,0,-0.797158626,0.231047952,0.04402517,-0.178690031,0.237318921,0,0,0,-0.106710931,0.197805979,-0.155954156,-0.426409581,0.720691427,0,0,0,-0.095391442,0.006380124,-0.361456395,-0.028088851,0.695287449,0,0,0,-0.106516532,0.34894822,-0.094147751,-0.525739345,0.295573314,0,0,0,-0.086336445,-0.074475277,-0.49526941,0.240857592,0.476208723,0,0,0,-0.084526137,-0.077149414,-0.516314164,0.285351444,0.395310084,0,0,0,-0.132804415,0.316754994,-0.057951018,-0.51793722,0.282511211,0,0,0,1.67320559,0.479221032,0.905473857,1.261442032,0.814755927,0,0,0,1.017240467,0.676488473,1.064999184,1.466797864,0,0,0,0,1.372421864,1.088742586,1.31616656,0.624410347,0,0,0,0,0.810999378,0.307145925,0.963142233,2.02742082,0,0,0,0,1.557169887,1.242353353,1.467398049,0.219694518,0,0,0,0,1.575555579,1.240180027,1.488357897,0.189021316,0,0,0,0,0.80044843,0.349775785,0.947309417,2.011210762,0,0,0,0,16.69056635,8.595283176,12.75631081,17.02389969,2.837316614,8.595804053,0.5,0.133970918,0.022328486,-1.206079518,15.10160892,2.51693482,1.628880773,16.69528992,8.596910537,12.75856814,17.02764402,2.83794067,8.597430353,0.498531158,0.133787746,0.022297958,-1.206900433,15.10135455,2.516892426,1.628870667,20.9133188,10.05766492,14.93714982,20.38132617,3.396887694,10.05776085,-0.797988956,0.030447233,0.005074539,-2.095056099,16.72420491,2.787367485,1.690114239,16.70024749,8.598618544,12.7609377,17.03157389,2.838595648,8.599137249,0.4969896,0.133595493,0.022265916,-1.207763251,15.10109142,2.51684857,1.628860212,25.43127645,11.63334396,17.68011222,23.98821743,3.998036239,11.6333621,-2.164588529,0.185282869,0.030880478,-1.011522961,35.76965216,5.961608694,2.146259897,17.18575331,8.76601084,12.99501138,17.41659889,2.902766482,8.766432485,0.346268372,0.114740847,0.019123475,-1.299047517,15.09463309,2.515772181,1.628603554,17.90768802,9.284078895,14.32338807,18.35629913,3.059383189,9.284437909,1.345833333,0.227728994,0.037954832,-0.887759389,14.33347556,2.388912593,1.59755865,0,11.99646145,15.99825808,-0.351089835,0.281201843,3.721745607,6.780753005,5,13,12,12,4,1,1,0,0,1,9.703656,3.531072946,2.796612855,2.333552793,1.745195542,1.183620581,0.083923071,0.083923071,0.083923071,1.795622712,1.249629723,0.989492395,0.453211985,0.102347674,0.083923071,0.083923071,0.083923071,3.458149749,2.632645623,2.405454588,1.406389447,1.172475755,0.270913902,0.270913902,0.270913902,1.770314542,1.134540686,1.130669041,0.394601444,0.131735633,0.270913902,0.270913902,0.270913902,3.619992602,2.953811093,2.704236987,1.990823638,1.65662584,0.943918427,0.943918427,0.943918427,1.571504506,0.760644543,0.76031856,0.175056326,0.428920395,0.943918427,0.943918427,0.943918427,3.453480989,2.581947424,2.457539916,1.388115029,1.161820287,0.399277246,0.399277246,0.399277246,1.763316771,1.179136685,1.058262671,0.38099281,0.103606685,0.399277246,0.399277246,0.399277246,3.646597081,2.97132877,2.838982085,2.05899281,1.794206632,1.207644823,1.207644823,1.207644823,1.534717415,0.745537483,0.631337262,0.307320169,0.543516051,1.207644823,1.207644823,1.207644823,4.841232793,3.808089036,3.262194409,2.612600818,1.553791645,0.571428571,0.571428571,0.571428571,1.627264144,0.898315104,0.461430911,0.133425071,0.489962101,0.571428571,0.571428571,0.571428571,0,0,1,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0.666666667,0,0.333333333,0,0.341379762,0,0.052704628,0,1.333333333,0,0,0.35235983,0,0,5.154700538,2.64273441,2.488033872,1.333333333,0,0,0,0,0.859116756,0.528546882,0.414672312,0.333333333,0,0,0,0,3.932812155,1.871106616,1.492938206,0.49390115,0,0,0,0,0.655468693,0.374221323,0.248823034,0.123475288,0,0,0,0,7.596909424,14.21267298,13.6,13.84,8.154697006,108.4220623,0.542636387,1.015190927,0.971428571,0.988571429,0.582478358,7.74443302,0.727,22.4738,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,24,1,0,2,1,1,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,3,1,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.804166667,0,17.68981481,-0.740740741,7.799672068,0,0,0,0,0,0,0,0,0.804166667,0,0,0,0,0,0,0,0,0,0,0,0,0,1.249305556,0.5125,0,0,0,0,0,0,0,0,0,0,3.282407407,0,0,0,0,0,-0.231481481,0,0,-0.740740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.990740741,9.699074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.804166667,0,7.990740741,-0.740740741,7.799672068,0,0,0,0,0,0,0,0,0.804166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368402778,0.5125,0,0,0,0,0,0,0,0,0,0,1.641203704,0,0,0,0,0,-0.231481481,0,0,-0.740740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.990740741,9.699074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.804166667,0,9.699074074,0,7.799672068,0,0,0,0,0,0,0,0,0.804166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,1.641203704,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.990740741,9.699074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20,3.333333333,0.804166667,9.699074074,0.368402778,-0.740740741,1.424064815,2.407407407,2.699074074,9.37962963,2.407407407,2.699074074,9.37962963,2.66666,0.44444,0,0.05556,0.58095,0.95556,0.42,0.58095,0.86191,0.16095,0,-0.16095,0.09365,0.46511,0.24918,0,0.625,0.375,0,4.5,0.75,3,0.5,1.5,0.25,-1.5,-0.25,0,0,3.78124,0.63021,6.13075,2.3495,0.39158,1.77037,0.29506,2.64272,0.87235,0.14539,0.27128,0.04521,0.27128,0.04521,0,5.02,2,2,2,2,1,1,0.75,1.378783493,2.260820318,2.556656707,2.556656707,2.012748861,0.795836389,19.30296891,31.65148445,35.7931939,35.7931939,28.17848406,11.14170945,0.362136843,0.593803405,0.671504695,0.671504695,0.528647553,0.209026058,2.428571429,1.546534604,1.250698215,1.250698215,1.794606061,3.011518533,0.362136843,0.593803405,0.671504695,0.671504695,0.528647553,0.209026058,13.07637292,20.81725664,21.11540795,21.11540795,14.5885138,0.802063835,22.5008675,16.1992722,16.11452093,16.11452093,12.85107385,3.415248721,6,2.222222222,3,6,3,3,1.68,0.7466,0.5,0,2.828427125,0,0,0,0,1,0,0,0.5,0,0,0,0,0,0,0,0,0.591,0.429,0.422,0.469,0.137,2.643,6,4,0,0,0,0,0,0,0,21,1.945910149,2.197224577,1.945910149,0,0,0,0,0,0,0,3.295836866,1.238095238,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.2,4,0.8,0,2,3,0.5,2,0.888888889,0,0,0,0,0,0,0,0,0.4,0.148148148,0,0,0,0,0,0,0,0,0.548148148,10,14.56155281,20,3.333333333,10.00010414,5.55E-17,9.25E-18,-22.45796865,15.31854353,2.553090588,1.637438454,37.3,92.6843919,3.584962501,3.135494216,3.761200116,4.465908119,5.141663557,5.837730447,6.52649486,7.220373837,7.912423121,8.605753368,63.60704164,2.397895273,0,3.555348061,0,4.875197323,0,6.244166901,0,7.626082758,7.917536354,88.0524295,6.28945925,10.52364588,1.75394098,4.650711829,4.650711829,0,29,4,0.466,22,1.220307692,2.121828682,2.875403135,3.346780198,3.40272588,0,0,0,0,0,96.64418046,128.6804562,115.6305972,32.56965542,3.457387268,0,0,0,0,0,282.5768482,356.6069922,357.335495,213.8896526,105.7694616,0,0,0,0,0,9.580981942,16.32133326,22.40683202,27.394257,22.86109133,0,0,0,0,0,1.946832103,2.593148975,2.702301852,1.812476074,1.512895838,0,0,0,0,0,180.0720994,335.3165849,470.8133107,611.4097666,629.2240802,0,0,0,0,0,4.58625641,9.442034043,11.69203199,13.18068652,3.40272588,0,0,0,0,0,0.450244085,0.618317886,0.708258043,0.555959158,0.34843913,0,0,0,0,0,314.5657744,221.4637238,20.65233444,159.2323272,-112.1043261,-30.27339822,155.3334471,333.5680498,50.92573265,0.66392367,0.467422143,0.043588892,0.33607633,-0.236607799,-0.063895145,149.0406667,104.9290919,9.785036849,75.44397436,-53.11481686,-14.3434786,0.371334689,0.470607037,15.00619814,17.06119677,328.4340406,145.364061,0.693194083,0.306805917,426.2231226,20.6451719,7.525678633,510.967463,22.60458942,7.994618584,698.12774,26.42210703,8.87111682,1.069362819,1.069362819,219.9314532,142.8457175,106.605114,1.539643309,2.063047869,1.33995183,3.267668524,2.386462198,4.300072889,0.801860885,2.890124351,2.961688981,2.775895038,6.798436552,2.71440368,2.612303112,1.912627385,0.024407832,5.32E-22,2.95E-63,3.16E-126,6.54E-211,2.608653E-317,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.284819236,2.985697235,0.198469316,3.545956917,0.158626222,1.183284155,0.040647087,0.002701723,5.95E-23,3.29E-64,3.53E-127,7.31E-212,2.91616E-318,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.717406982,2.940844712,0.536651795,3.764538246,0.3655876,0.843159679,0.171576696,0.004695809,1.03E-22,5.70E-64,6.12E-127,1.27E-211,5.05163E-318,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.021739928,2.985708505,2.844263231,6.986413191,2.854384717,3.05447098,1.798828448,0.030563815,6.69E-22,3.70E-63,3.97E-126,8.21E-211,3.276565E-317,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.963151951,2.923807466,0.750468983,3.981338396,0.498712235,0.728324837,0.313303804,0.004671906,1.02E-22,5.65E-64,6.06E-127,1.25E-211,5.00206E-318,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.724063413,2.976964191,3.756853822,8.102963568,3.932305428,3.588897149,2.7899314,0.035647316,7.77E-22,4.30E-63,4.61E-126,9.55E-211,3.8099605E-317,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.076090061,2.609011962,2.757585471,8.111877547,3.22368385,6.062304084,1.131045351,0.053400109,1.22E-21,6.73E-63,7.22E-126,1.49E-210,5.9626347E-317,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.754574496,1.292722258,0.490639357,0.495931651,0.365388808,0.539177216,0.472138847,0.42129436,3.537936111,3.763301224,8.414094488,0.291980688,1.432610423,1.883872084,1.061106897,0.16833319,0.605102213,0.340828943,1.00377046,0.257108029,0.040668888,3.11331217,2.494727366,5.944535842,0.418896734,1.301547377,1.460178716,1.220987564,0.299061921,0.489955338,0.409695997,0.439466769,0.37163361,0.152484528,2.980228201,2.584694792,6.098108546,0.349477003,0.963584907,1.745512625,1.376551997,0.472311204,0.485623293,0.382973864,0.515917662,0.501638097,0.37971522,3.594375826,3.877374991,8.606614931,0.302895735,1.397270979,1.462476022,1.174494223,0.361157643,0.487796411,0.391742536,0.368806418,0.381993822,0.233634455,2.998127887,2.670031595,6.288509,0.31930842,0.984434695,1.805921774,1.320048892,0.51250576,0.496340106,0.362802651,0.57083071,0.491671843,0.457203587,3.638476425,3.985983007,8.846224493,0.288714135,1.519706141,1.739257639,1.388632461,0.473444823,0.482948039,0.385588259,0.512908511,0.511381486,0.380625856,3.601334923,3.89607299,8.640866932,0.302804446,1.404915852 +UMLYSI0386,L,methyl butyrate,CCCC(=O)OC,saturated esters,C5H10O2,623-42-7,12180,PubChem,,18.6,0,-0.1907,0.03636649,25.3479,17.07193,0,0,17,7,10,0,5,0,2,0,0,0,0,0,0,0,1243.417247,1130.35521,1262.775798,1060.759697,744.434131,307.657897,78.738912,9.144576,0,2861.203507,3326.105375,3849.214114,3541.48044,2707.466718,1675.784234,874.9221648,279.7536999,0,131.590652,123.89952,216.4962,221.428316,191.1583,140.266468,83.016576,60.466176,0,19.67703705,23.5201631,29.09877861,27.31646409,20.78698781,14.2329069,9.348943289,4.001516144,0,2854.050872,2371.638531,4591.763082,4834.757802,4064.257244,3113.018667,2028.241198,1664.258868,0,86.52777778,50.25,85.41666667,83.91666667,85.5,50,18,9,0,73.142191,70.64720063,45.09913564,36.57792059,31.01808879,17.09210539,6.561576,1.016064,0,168.3060886,207.8815859,137.4719326,122.1200152,112.8111132,93.09912411,72.9101804,31.08374443,0,7.740626588,7.74372,7.732007143,7.635459172,7.964929167,7.792581556,6.918048,6.718464,0,1.157472768,1.470010194,1.039242093,0.941947038,0.866124492,0.79071705,0.779078607,0.444612905,0,167.8853454,148.2274082,163.9915386,166.7157863,169.3440518,172.9454815,169.0200999,184.917652,0,5.089869281,3.140625,3.050595238,2.893678161,3.5625,2.777777778,1.5,1,0,0.264469009,-0.154357089,0.034969424,0.017611981,-0.006290658,-0.036568843,0.001354781,0.011045898,0,629.8202065,-12.09745997,47.85605381,2.030288727,-283.8122875,-263.7712904,-30.09952586,224.9841179,0,780.5766247,-146.4197851,-39.17543734,-15.89410581,-217.2244316,-109.9554831,-132.6540497,271.0349803,0,1.881607059,-0.015005232,0.573891903,-0.332707571,-0.895370436,-0.722895945,0.190463253,0.260820498,0,3.424768994,-1.080059213,-0.205188776,-0.373622822,-0.523457603,0.311015424,-0.711379077,0.870307568,0,19.34959846,-6.628413839,-0.891443659,-2.729791524,-2.460118467,2.785370734,-3.978143926,4.227741453,0,36.4869281,-0.446847366,8.849961553,-4.861687812,-16.28056517,-11.96655133,1.852364475,4.609861592,0,0.015557001,-0.009647318,0.001248908,6.07E-04,-2.62E-04,-0.002031602,1.13E-04,0.001227322,0,37.04824744,-0.756091248,1.709144779,0.070009956,-11.82551198,-14.65396058,-2.508293822,24.99823533,0,45.91627204,-9.151236571,-1.399122762,-0.548072614,-9.051017984,-6.10863795,-11.05450414,30.11499781,0,0.110682768,-9.38E-04,0.020496139,-0.011472675,-0.037307101,-0.040160886,0.015871938,0.028980055,0,0.201457,-0.067503701,-0.007328171,-0.012883546,-0.021810733,0.017278635,-0.05928159,0.096700841,0,1.138211674,-0.414275865,-0.031837274,-0.094130742,-0.102504936,0.154742819,-0.331511994,0.46974905,0,2.146289889,-0.02792796,0.316070055,-0.167644407,-0.678356882,-0.664808407,0.154363706,0.512206844,0,-0.620127129,0.080279487,0.039037712,-0.016848411,-0.13059088,0.007257082,0.078891944,0,-0.020408287,0.046132945,0.001889697,-0.31919221,-0.395537214,-0.067703441,0.67474812,0,-0.199302691,-0.030471175,-0.011936348,-0.197120053,-0.13303863,-0.24075352,0.655867658,0,-0.008473107,0.185179136,-0.103653668,-0.337063322,-0.362846778,0.14340026,0.261829875,0,-0.335077465,-0.036375855,-0.063951839,-0.108264957,0.085768351,-0.294264234,0.480007352,0,-0.363970845,-0.027971312,-0.082700559,-0.090057885,0.135952584,-0.291256891,0.412707988,0,-0.013012203,0.147263451,-0.07810893,-0.316060233,-0.309747724,0.071921182,0.238647559,0,1.588213108,1.00375449,1.067114552,1.263096974,1.085143009,0.120030664,0.027763671,0,0.99899345,0.924401966,0.94489707,1.362000827,1.378672489,0.768892505,0,0,1.508256898,1.023287726,0.950105474,1.047963518,0.925993868,1.153646708,0,0,0.720275784,0.80377128,1.058805552,1.724335226,1.626421525,0.050416478,0,0,1.799320607,1.053865277,0.998618662,0.942760307,0.667270572,1.175465308,0,0,1.84360627,1.052146795,1.017184003,0.944997434,0.627905538,1.130134602,0,0,0.566412897,0.550316678,1.127155365,2.047156292,1.577429467,0.109628303,0,0,24.87008861,12.68504431,19.9076234,25.22723147,3.60389021,12.6850548,0.5,0.18655486,0.026650694,-1.17532095,23.44694617,3.349563739,2.208318181,24.87937819,12.68895468,19.91266062,25.23547188,3.605067411,12.68896512,0.498531158,0.186251781,0.026607397,-1.176459101,23.44591307,3.349416152,2.208287338,33.26408683,16.23304894,24.89948723,32.69409472,4.67058496,16.23304917,-0.797988956,0.072566896,0.010366699,-1.836272504,40.30367953,5.757668504,2.587509938,24.88912832,12.69305896,19.91794869,25.2441209,3.606302985,12.69306936,0.4969896,0.185933683,0.026561955,-1.177655648,23.44485459,3.349264941,2.208255735,42.34951804,20.09246476,31.13974607,40.80338338,5.829054768,20.09246476,-2.164588529,0.260832208,0.037261744,-0.940714572,31.01902284,4.431288977,2.404220459,25.84558723,13.0959278,20.44227845,26.09292178,3.727560254,13.09593445,0.346268372,0.1547693,0.0221099,-1.306073761,23.46859265,3.352656092,2.208964131,25.19617202,12.85777386,21.16589031,25.60679601,3.658113716,12.85778518,1.172698413,0.322950486,0.046135784,-0.791179383,27.65395846,3.950565494,2.323838217,0,11.99640053,15.99825848,-0.34958612,0.261199352,3.878932686,6.466382089,6,16,15,15,5,1,1,0,0,1,13.80607,3.520948033,3.031096698,2.605962958,2.05770581,1.332142787,1.08612832,0.083923071,0.083923071,1.795102369,1.45631953,1.247422046,0.732749818,0.402640613,0.083923071,0.083923071,0.083923071,3.431948383,2.956147805,2.579893396,2.016762904,1.404835946,0.634216743,0.270913902,0.270913902,1.7662401,1.453600588,1.177209478,0.70965242,0.403848775,0.270913902,0.270913902,0.270913902,3.610440844,3.21532654,2.854355582,2.368254866,1.860283663,1.255949921,0.943918427,0.943918427,1.555365012,1.132846243,0.847889163,0.300126487,0.108614761,0.943918427,0.943918427,0.943918427,3.426544647,2.940795793,2.60261339,2.022446622,1.46627792,0.465144215,0.399277246,0.399277246,1.760473264,1.444818654,1.134137037,0.693306882,0.333498727,0.399277246,0.399277246,0.399277246,3.636246235,3.266558008,2.942332254,2.457607379,2.033868232,1.209058028,1.207644823,1.207644823,1.515228414,1.082231629,0.754713496,0.214932351,0.270787192,1.207644823,1.207644823,1.207644823,4.781489065,3.307075707,3.218665513,2.484954646,1.874761962,1.601474845,0.576923077,0.576923077,1.647871753,1.105747056,0.941147513,0.358415157,0.150144358,0.576923077,0.576923077,0.576923077,0,0,1,0,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.49279928,0.40824829,0.204124145,0.100592232,0.083333333,0.041666667,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,4.730710143,2.377156753,1.326132613,0.681795046,0.306186218,0.102062073,0,0,0.675815735,0.396192792,0.221022102,0.136359009,0.102062073,0.102062073,0,0,9.138737228,17.10050983,16.3254902,16.6,9.953251497,131.4503174,0.537572778,1.005912343,0.960322953,0.976470588,0.585485382,7.73237161,0.9595,26.924,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,1,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.54125,-0.122685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.186527778,0.5125,0,0,0,0,0,0,0,0,0,0,3.342175926,0,1.405925926,0,0,0,0,0,0,-0.122685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18958333,4.351666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.351666667,-0.122685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305625,0.5125,0,0,0,0,0,0,0,0,0,0,1.400787037,0,0.538194444,0,0,0,0,0,0,-0.122685185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18958333,4.351666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18958333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,1.941388889,0,0.867731481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.18958333,4.351666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.16666667,2.738095238,0.627083333,10.18958333,0.305625,-0.122685185,2.138774907,1.789351852,3.189583333,8.0825,1.789351852,3.189583333,8.0825,3.16666,0.45238,0,0.04762,0.5549,0.91905,0.42174,0.5549,0.91905,0.13316,0,-0.13316,0,0.49223,0.22206,0,0.42105,0.1579,0,5.25,0.75,3.75,0.53571,1.5,0.21429,-2.25,-0.32143,0,0,4.36463,0.62352,7.07892,2.71429,0.38776,2.18293,0.31185,3.30805,1.12513,0.16073,0.10595,0.01514,0.10595,0.01514,0,6.02,2,2,2,2,0,0,0.8,1.332820405,2.133387491,3.292770194,3.292770194,3.292770194,2.811892213,22.65794688,36.26758735,55.9770933,55.9770933,55.9770933,47.80216761,0.326075235,0.521934406,0.805578013,0.805578013,0.805578013,0.687930954,2.754642437,1.95407535,0.794692647,0.794692647,0.794692647,1.275570629,0.326075235,0.521934406,0.805578013,0.805578013,0.805578013,0.687930954,12.49498498,22.57177998,23.74023489,23.74023489,23.74023489,17.96969911,25.89308809,15.56333914,15.1628235,15.1628235,15.1628235,12.27755562,7,4.166666667,3.84,7,3,4,1.79,0.8875,0.2,1.807204007,0.816496581,0,1,1.414213562,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,2.859,6,5,3,1,0,0,0,0,0,28,2.079441542,2.197224577,2.079441542,1.609437912,0.693147181,0,0,0,0,0,3.555348061,1.214285714,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,5,0.833333333,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,26.3,109.9803765,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,102.0680796,6.00400468,12.66537523,1.809339318,5.076588817,5.076588817,0,50,5,1.063,24,1.2270625,2.096259626,2.853249131,3.612576602,4.799419847,5.786660393,6.79785035,0,0,0,96.90864932,104.5870248,114.5393082,131.7877546,92.72222853,41.39149278,6.907051018,0,0,0,275.0821314,308.6864297,372.1303277,450.3823656,479.1000958,447.7156263,211.302643,0,0,0,9.573754286,16.33886681,21.85566246,28.71305549,37.57296348,40.15554848,45.67111286,0,0,0,1.899056374,2.286851619,2.817367903,3.389831799,3.988599663,4.714646748,3.022411991,0,0,0,180.4501068,340.5600083,472.6879946,601.8967643,824.5692734,968.2522681,1257.042526,0,0,0,3.969661458,6.76594279,8.362783605,12.70276647,13.55793081,8.988517631,6.79785035,0,0,0,0.445526719,0.560401066,0.697316459,0.880903907,1.00273779,1.03312958,0.696099876,0,0,0,326.760848,227.5769963,12.8178012,178.9349483,-124.6216562,-22.19128003,147.8258997,352.1986524,35.00908124,0.646160894,0.450027463,0.025346861,0.353839106,-0.246436014,-0.043882667,165.2415872,115.0847303,6.481908185,90.48665115,-63.02064766,-11.22203703,0.375005191,0.45795864,2.688896919,8.033959553,445.0706748,60.62512149,0.880115433,0.119884567,523.9030215,22.88892792,8.061520593,620.7733823,24.91532425,8.530563018,838.8366415,28.9626767,9.4310301,2.092657649,2.092657649,444.4380703,395.769232,62.06900144,1.122972769,7.160386988,6.376278381,3.695696228,4.193003682,7.360793762,0.755494228,2.802231592,3.344511073,4.495959393,7.720095904,4.819498495,1.527745649,1.895117521,5.890390554,0.084439668,2.223140682,2.928966825,4.632195514,0.369242764,0.28803231,3.60E-18,8.68E-57,4.04E-117,3.62E-199,6.27E-303,0,0,0,0,0,0,0,0,0,0,0,0.2516794,3.49551831,0.440218135,2.862557834,0.26086558,1.072166457,0.25823193,0.344628877,0.016068422,0.197145891,1.142344276,0.09781656,0.002600846,0.002028635,2.54E-20,6.12E-59,2.84E-119,2.55E-201,4.41E-305,0,0,0,0,0,0,0,0,0,0,0,0.765034346,3.214432911,0.890389092,2.934106142,0.82953394,0.950704617,0.470868451,1.017747726,0.026092451,0.405352141,1.477462998,0.507466843,0.027100943,0.021139942,2.64E-19,6.37E-58,2.96E-118,2.66E-200,4.60E-304,0,0,0,0,0,0,0,0,0,0,0,2.650193139,3.495079447,5.238171074,8.145868913,4.661226363,1.756249746,2.070413405,5.744446239,0.082499636,2.546734059,2.809130529,4.172091108,0.32898882,0.256631602,3.21E-18,7.74E-57,3.60E-117,3.23E-199,5.58E-303,0,0,0,0,0,0,0,0,0,0,0,1.119938123,3.107627496,1.026614949,3.092585564,1.264263655,0.889595597,0.579832293,1.525913009,0.034317671,0.477340762,1.716291151,0.941864208,0.058866282,0.045918779,5.74E-19,1.38E-57,6.44E-118,5.78E-200,9.99E-304,0,0,0,0,0,0,0,0,0,0,0,3.384123505,3.439964249,6.350884155,10.18028057,6.536153916,1.865011639,2.516925799,8.024098703,0.101997215,3.167773692,3.384543849,6.542984811,0.538505091,0.420068054,5.25E-18,1.27E-56,5.89E-117,5.28E-199,9.14E-303,0,0,0,0,0,0,0,0,0,0,0,1.722265092,3.516072304,5.371151014,8.650479433,3.478527255,2.437156351,1.816290495,4.120963265,0.068277516,2.04414701,2.541164344,1.824018304,0.122899882,0.095868742,1.20E-18,2.89E-57,1.34E-117,1.21E-199,2.09E-303,0,0,0,0,0,0,0,0,0,0,0,5.714902966,0.678641378,0.391062371,0.842333713,0.100026635,0.568513672,0.508019371,0.470570081,6.784606714,6.378644229,14.67993536,0.76350057,1.547103124,3.9590054,0.554106551,0.065612924,0.864652389,0.121017656,0.272805006,0.337400685,0.013246802,4.578724875,2.4898293,7.212489958,0.796978583,0.623452492,4.812873642,0.515413747,0.197078865,0.871050609,0.093281372,0.403156192,0.29146613,0.119512232,5.525366254,3.530714067,9.544958337,0.806575914,0.814134554,5.541241986,0.696274301,0.366961376,0.839012904,0.105424583,0.53449885,0.53515795,0.414355364,6.604477663,6.147151951,14.16744895,0.758519357,1.484012165,5.222030484,0.521372797,0.26668865,0.868876973,0.086749554,0.474620049,0.298332936,0.218847364,6.010091931,4.254325108,10.99051013,0.803315459,0.99180035,5.791790065,0.708188001,0.411818664,0.837957233,0.102460768,0.583928802,0.55370287,0.521848338,6.911796729,6.778488509,15.37943206,0.75693585,1.659480009,5.571196367,0.702124957,0.370853144,0.83850844,0.105675274,0.540437739,0.548387689,0.423190768,6.644174468,6.238156947,14.33298876,0.75776266,1.512016196 +UMLYSI0387,L,"1,2-dimethoxypropane",CC(COC)OC,other multi-oxygen compounds,C5H12O2,7778-85-0,24509,PubChem,,18.6,0,-0.0911,0.00829921,28.6404,18.405516,0,0,19,7,12,0,5,0,2,0,0,0,0,0,0,0,1245.449375,1202.469254,1249.337514,1152.265857,773.820355,331.957753,81.787104,9.144576,0,2923.370996,3434.791208,4030.855646,4043.484119,3462.32221,2163.525783,968.1733981,279.7536999,0,145.02758,140.628152,254.971776,236.073324,263.563228,228.005668,103.171968,60.466176,0,20.56626286,24.29769172,29.43857109,31.37053678,30.44424218,20.68180606,10.682782,4.001516144,0,3223.886176,2704.432598,5428.105898,4898.587271,6059.636839,5485.153039,2582.994154,1664.258868,0,52.52777778,50.91666667,77.25,77.91666667,70,55,21,9,0,65.54996711,66.80384744,39.04179731,38.4088619,21.49500986,10.70831461,5.4524736,1.016064,0,153.8616314,190.8217338,125.9642389,134.782804,96.17561694,69.79115431,64.54489321,31.08374443,0,7.633030526,7.812675111,7.967868,7.8691108,7.321200778,7.355021548,6.8781312,6.718464,0,1.082434887,1.349871762,0.919955347,1.045684559,0.845673394,0.667155034,0.712185467,0.444612905,0,169.6782198,150.2462555,169.6283093,163.2862424,168.3232455,176.9404206,172.1996103,184.917652,0,2.764619883,2.828703704,2.4140625,2.597222222,1.944444444,1.774193548,1.4,1,0,0.333435579,-0.059930349,-0.189633603,0.108668204,0.006741259,-0.081147754,0.023609658,0.024974794,0,674.5538907,9.445055512,-93.8730045,-283.9828962,-99.12944387,-54.70190078,4.853305155,180.1119393,0,834.4666208,-220.3842275,141.063642,-331.6317659,-256.8627479,114.0038519,-80.40020512,216.9781421,0,1.933466105,0.00305569,-1.012223335,0.110119413,-0.068457252,-0.415290172,0.207261706,0.208800898,0,3.597812604,-1.784138476,0.985996826,-0.704606609,-1.42688029,0.947539057,-0.51354503,0.69672822,0,20.19020202,-11.10909581,5.500025791,-2.365269784,-8.269390468,5.726214842,-2.962120981,3.384535402,0,11.75438596,-0.303862727,-5.453293321,-0.28908895,0.763619575,-2.992536165,0.452677747,1.945290859,0,0.017549241,-0.003329464,-0.00592605,0.003622273,1.87E-04,-0.002617669,0.001573977,0.002774977,0,35.50283635,0.524725306,-2.933531391,-9.466096539,-2.753595663,-1.764577445,0.323553677,20.0124377,0,43.91929583,-12.24356819,4.408238813,-11.0543922,-7.135076331,3.677543608,-5.360013674,24.10868246,0,0.101761374,1.70E-04,-0.031631979,0.003670647,-0.00190159,-0.013396457,0.013817447,0.0232001,0,0.189358558,-0.099118804,0.030812401,-0.023486887,-0.039635564,0.030565776,-0.034236335,0.077414247,0,1.062642212,-0.61717199,0.171875806,-0.078842326,-0.229705291,0.184716608,-0.197474732,0.376059489,0,0.618651893,-0.016881263,-0.170415416,-0.009636298,0.021211655,-0.096533425,0.030178516,0.216143429,0,-0.189721244,-0.337681275,0.206406276,0.010670387,-0.149161408,0.089689191,0.158125195,0,0.014779814,-0.082628085,-0.266629304,-0.077559878,-0.049702436,0.00911346,0.563685602,0,-0.278774237,0.100371345,-0.251697847,-0.162458805,0.08373412,-0.122042341,0.548931443,0,0.001668222,-0.310844655,0.036071124,-0.01868676,-0.131645797,0.135782828,0.227985323,0,-0.523445073,0.162719875,-0.124033934,-0.209314879,0.161417452,-0.180801627,0.408823596,0,-0.580790018,0.161743816,-0.074194612,-0.216164282,0.173827659,-0.185833698,0.353890976,0,-0.027287175,-0.275462531,-0.015576285,0.034286899,-0.156038357,0.048781095,0.349378109,0,1.181634681,1.914753471,1.107151851,0.663148028,1.004818273,0.014747576,4.83E-09,0,1.124008552,1.216531185,1.360547525,0.934687614,0.892967171,0.646112399,0,0,1.701280548,0.819099919,1.325487179,1.107339179,0.644144607,0.971229607,0,0,0.92643155,1.860486455,1.229432258,0.696702154,1.037485591,0.044157795,0,0,2.097216987,0.740275611,1.246845061,1.157512696,0.496126557,1.00703617,0,0,2.175285132,0.765438161,1.219869953,1.153069366,0.471698047,0.974774084,0,0,0.990174129,1.673577425,1.206641791,0.708955224,1.074410207,0.306268657,0,0,24.48025655,12.49012828,18.93917724,24.83739941,3.548199915,12.49014051,0.5,0.052554326,0.007507761,-2.062135506,21.76983554,3.109976506,2.156367725,24.49558404,12.4970576,18.94965501,24.85167772,3.550239675,12.49706974,0.498531158,0.052589366,0.007512767,-2.061668942,21.7770807,3.111011529,2.156600651,38.18187835,18.6919447,28.463633,37.61188624,5.373126605,18.69194471,-0.797988956,0.05836469,0.008337813,-1.98873094,29.0817739,4.154539128,2.359078156,24.51167098,12.50433029,18.96065263,24.86666355,3.552380507,12.50434233,0.4969896,0.052626005,0.007518001,-2.061181429,21.78468924,3.112098463,2.156845176,52.77324114,25.30432631,38.75162422,51.22710648,7.318158069,25.30432631,-2.164588529,0.050735501,0.007247929,-2.086790573,37.35581499,5.336544999,2.534342012,26.0875691,13.21691874,20.04121299,26.33490365,3.762129093,13.21692433,0.346268372,0.055595369,0.007942196,-2.022758762,22.54984868,3.221406954,2.181009849,25.03715415,12.93645807,20.37964814,25.63357374,3.661939106,12.93646716,0.837698413,0.036921236,0.005274462,-2.309277872,18.16537938,2.595054197,2.029662285,0,11.99640053,15.99825848,-0.405958557,0.078539721,4.320209225,6.775879614,6,18,18,18,6,0,0,0,0,0,16.950484,3.45396914,2.951246951,2.648413546,2.229987317,1.562151041,0.809166626,0.602656861,0.083923071,1.746445625,1.436994027,1.371178954,1.120000733,0.499298844,0.083923071,0.083923071,0.083923071,3.372268886,2.833491704,2.654114635,2.296057229,1.508962715,0.520312241,0.466500775,0.270913902,1.748282024,1.412654744,1.291317197,1.012071801,0.403214699,0.270913902,0.270913902,0.270913902,3.576004752,3.142442767,2.934081502,2.590172296,1.938760659,1.154718296,1.105786358,0.943918427,1.505963107,1.060919434,0.943026137,0.640311018,0.089170766,0.943918427,0.943918427,0.943918427,3.363066226,2.82531833,2.680574784,2.345070238,1.533244829,0.443663607,0.434275835,0.399277246,1.748789184,1.398896719,1.236228461,0.939120466,0.345313751,0.399277246,0.399277246,0.399277246,3.60770719,3.199219079,3.036968928,2.721149665,2.063935277,1.208594559,1.208391018,1.207644823,1.466856634,0.990564371,0.841831248,0.515396898,0.225679696,1.207644823,1.207644823,1.207644823,3.632390428,3.305468841,2.898277977,2.432439868,1.913317601,1.329519688,1.043419585,0.566037736,1.61534525,1.105308157,1.035082682,0.837715462,0.168929606,0.566037736,0.566037736,0.566037736,0,0,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.166666667,0,0,0,0.49279928,0.40824829,0.204124145,0.234708048,0.136082763,0.068041382,5.698670613,3.308060412,2.302095141,1.478397839,0.696923425,0.204124145,0,0,0.814095802,0.551343402,0.383682523,0.295679568,0.232307808,0.204124145,0,0,5.100953631,2.326472536,1.501661279,0.803743642,0.30274943,0.068041382,0,0,0.728707662,0.387745423,0.25027688,0.160748728,0.100916477,0.068041382,0,0,9.680565032,18.98834669,18.05098039,18.36,10.75180599,147.7358778,0.509503423,0.999386668,0.9500516,0.966315789,0.565884526,7.775572518,0.6677,28.347,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,45,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,3,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.635046296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.495833333,0,0,0,0,0,0,0,0,0,0,0,5.294351852,0,0.677083333,0,0,0,0.226851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.635046296,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.769490741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.373611111,0,0,0,0,0,0,0,0,0,0,0,1.662222222,0,0.677083333,0,0,0,0.226851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.769490741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.865555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561111111,0,0,0,0,0,0,0,0,0,0,0,1.961805556,0,0.677083333,0,0,0,0.226851852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.865555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.83333333,2.261904762,0.561111111,4.865555556,0.237777778,0.226851852,2.709926204,1.106481481,1.365555556,5.270092593,1.106481481,1.365555556,5.270092593,3.16666,0.45238,0,0.04762,0.52807,0.91905,0.42174,0.52807,0.91905,0.10633,0,-0.10633,0,0.49223,0.22206,0,0.47369,0.1579,0,4,0.57143,4,0.57143,0,0,-4,-0.57143,0,0,4.84679,0.6924,7.07892,2.23213,0.31888,2.19249,0.31321,3.30805,1.11556,0.15937,0.10595,0.01514,0.10595,0.01514,0,6.02,2,2,2,2,0,0,1,1.267443804,1.773214355,2.970840013,3.076103171,3.286629487,2.694485143,24.08143227,33.69107275,56.44596025,58.44596025,62.44596025,51.19521772,0.298367569,0.417430464,0.699362219,0.724142105,0.773701876,0.63430582,2.98048371,2.474713158,1.2770875,1.171824342,0.961298027,1.55344237,0.303948825,0.425238908,0.712444471,0.737687889,0.788174724,0.646171128,11.97254971,18.04179632,20.82638182,22.08953971,21.14464236,15.21219319,25.70002921,18.62176831,17.02383468,15.60409099,16.39576256,14.54016401,7,4.166666667,3.84,7,0,3,1.79,0.9305,0.766309432,1.310370697,1.650963624,0,0,1,0,0,0,0,0,0,0.333333333,0,0,0,0,0,0,0.003,0.525,0.536,0.458,0.053,2.761,6,5,3,1,0,0,0,0,0,28,1.945910149,1.945910149,1.791759469,1.386294361,0.693147181,0,0,0,0,0,3.36729583,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,6,1,0,3,5,0.666666667,1.5,0.666666667,0.25,0.08,0,0,0,0,0,0,0.25,0.111111111,0.05,0.026666667,0,0,0,0,0,0,0.437777778,14.86357869,22.55648517,29.72715738,4.246736768,14.86357965,0.059016506,0.008430929,-1.980956675,24.42818201,3.489740288,2.237016226,18.46,112.6168352,3.807354922,3.218875825,3.850147602,4.532599493,5.187385806,5.877735782,6.538139824,7.230563153,7.892452044,8.58541243,65.91331196,2.564949357,0,3.610917913,0,4.844187086,0,6.150602768,0,7.486052618,7.796469243,104.0837296,5.478091033,12.66537523,1.809339318,5.331323852,5.331323852,0,50,5,0.29,24,1.222777778,2.062740501,2.849345874,3.446869798,4.251457374,5.394474435,6.592018949,0,0,0,93.26591279,89.85864314,121.3888985,89.69730758,55.44007945,32.98794356,6.697913141,0,0,0,251.1200988,279.4310836,402.5602081,361.3713049,327.9351293,375.1476783,204.9046323,0,0,0,9.683418122,16.55025569,22.55174893,25.43933722,31.72722908,37.23255754,44.28824199,0,0,0,1.715472551,1.998707119,3.067447197,3.061807211,3.00060314,4.057467535,2.930896694,0,0,0,182.848319,346.7750355,463.5765395,574.8661647,747.7756094,918.6786123,1218.980666,0,0,0,3.638638889,5.162774189,7.677025482,7.108447452,8.103661969,7.874571159,6.592018949,0,0,0,0.422814167,0.520112641,0.751160698,0.737030993,0.740681349,0.893655491,0.67502274,0,0,0,346.1320065,275.619351,15.58824887,53.87543422,-42.90014195,-12.72132317,292.2565723,318.5194929,28.30957204,0.86531392,0.68903556,0.038969897,0.13468608,-0.10724836,-0.031802716,138.455378,110.2497912,6.235415536,21.55057456,-17.16037599,-5.088623923,0.098166989,0.478770231,0.129663216,7.090112958,368.6806896,31.32675112,0.921684579,0.078315421,514.8827339,22.69102761,8.014986148,631.1271669,25.12224446,8.577728414,813.9641635,28.53005719,9.336879664,1.845910339,1.756860446,436.5233822,393.6539414,71.58318047,1.108901338,6.09812779,5.499251903,3.733223519,4.238046685,7.182869882,0.694853883,3.346807025,3.428135384,9.370495568,8.281125407,9.62378987,7.724845446,4.718151979,4.239314077,1.809137924,0.092355711,0.601505574,2.688416751,1.567069427,8.58E-05,2.01E-29,9.08E-76,7.92E-144,1.33E-233,0,0,0,0,0,0,0,0,0,0,0,0,0.280874801,3.936233391,0.842745431,2.147965549,0.817429465,2.014017302,0.31053329,1.016449225,0.104991836,0.006502992,0.026504006,0.220041246,0.011036998,6.04E-07,1.42E-31,6.40E-78,5.58E-146,9.38E-236,0,0,0,0,0,0,0,0,0,0,0,0,0.90669672,2.991295235,1.642279812,2.770863033,1.999553968,1.855851946,0.855437235,1.098783701,0.369651878,0.014526973,0.065108477,0.713996088,0.11501403,6.29E-06,1.47E-30,6.67E-77,5.81E-145,9.77E-235,0,0,0,0,0,0,0,0,0,0,0,0,3.15911297,3.934342051,10.91870329,8.443085803,9.189132634,7.583665255,4.380331636,4.424081034,1.675694426,0.100314524,0.538439727,2.533804677,1.396230646,7.64E-05,1.79E-29,8.09E-76,7.06E-144,1.19E-233,0,0,0,0,0,0,0,0,0,0,0,0,1.336303921,2.632213777,1.861271164,3.266147216,2.94197594,2.296881205,1.320255523,1.268120821,0.575954782,0.01865346,0.114996376,1.056018105,0.249825842,1.37E-05,3.20E-30,1.45E-76,1.26E-144,2.12E-234,0,0,0,0,0,0,0,0,0,0,0,0,4.041754177,3.748799835,13.53305201,10.56798475,12.60372053,10.52553679,6.339246468,5.644211903,2.337878014,0.132343696,0.86664825,3.264849536,2.285423483,1.25E-04,2.93E-29,1.32E-75,1.15E-143,1.94E-233,0,0,0,0,0,0,0,0,0,0,0,0,1.995693552,4.351112352,8.658919047,6.306249942,4.997226101,5.604691284,2.376279003,3.660249368,0.964427529,0.07117244,0.214632415,1.699480219,0.502087036,2.75E-05,6.44E-30,2.91E-76,2.54E-144,4.27E-234,0,0,0,0,0,0,0,0,0,0,0,0,4.903391996,0.965894934,0.461279809,0.77455814,0.152576376,0.536616622,0.436549439,0.432383281,6.330566738,7.443545039,15.95880744,0.661837209,1.405549342,3.644863314,0.559503263,0.138688247,0.839239536,0.128827124,0.293680897,0.133843327,0.037225342,4.343054824,2.622409149,7.248292708,0.758859303,0.464749566,4.243393785,0.737711704,0.273136925,0.807612868,0.140403058,0.39893236,0.251621025,0.152745759,5.254242415,4.490925098,10.60019569,0.711419302,0.803299145,4.791792167,0.939635795,0.445514631,0.775754687,0.152119885,0.51079879,0.411581876,0.40568596,6.176942592,7.055974451,15.23886424,0.66363203,1.328066627,4.53391908,0.821611355,0.335483821,0.796680324,0.144369934,0.458050054,0.315412499,0.229514939,5.691014256,5.521813213,12.46254476,0.695020486,1.002977492,4.95979055,0.989111438,0.482005021,0.771242772,0.1538059,0.549054802,0.457792733,0.47202653,6.430907009,7.773186189,16.56870647,0.656864159,1.478874064,4.856176021,0.951412599,0.450541762,0.775978723,0.152028248,0.525470024,0.422843611,0.413763433,6.258130382,7.236788258,15.57652388,0.663968084,1.362077069 +UMLYSI0388,L,diethoxymethane,CCOCOCC,other multi-oxygen compounds,C5H12O2,462-95-3,10024,PubChem,,18.5,0,0.4027,0.16216729,27.4531,18.405516,0,0,19,7,12,0,5,0,2,0,0,0,0,0,0,0,1245.449375,1202.469254,1188.055613,878.667644,722.299459,445.911314,269.399257,84.835296,9.144576,2923.370996,3434.791208,3752.112493,3235.472456,2753.066548,2171.066986,1695.218043,1061.424631,279.7536999,145.02758,140.628152,255.912356,229.538432,190.416988,181.000136,105.590692,123.32736,60.466176,20.56626286,24.29769172,28.31478713,25.70879725,22.29899828,18.57594001,15.70279472,12.01662072,4.001516144,3223.886176,2704.432598,5422.685214,5115.373235,4184.784813,4196.196387,2397.690441,3137.747111,1664.258868,51.25,48,84.75,61.5,55.25,45,25,24,9,65.54996711,66.80384744,37.12673791,29.28892147,28.89197836,18.57963808,17.95995047,4.713072,1.016064,153.8616314,190.8217338,117.2535154,107.8490819,110.1226619,90.46112441,113.0145362,58.96803508,31.08374443,7.633030526,7.812675111,7.997261125,7.651281067,7.61667952,7.541672333,7.039379467,6.85152,6.718464,1.082434887,1.349871762,0.884837098,0.856959908,0.891959931,0.773997501,1.046852981,0.66759004,0.444612905,169.6782198,150.2462555,169.4589129,170.5124412,167.3913925,174.8415161,159.8460294,174.3192839,184.917652,2.697368421,2.666666667,2.6484375,2.05,2.21,1.875,1.666666667,1.333333333,1,0.313434903,-0.111677267,-0.019342122,-0.032888231,-8.90E-04,-0.020563494,0.012152347,0.010739777,0.005752011,674.5538907,9.445055512,-155.1549055,-53.2149098,-140.2178413,-73.72295567,-169.4139462,64.89061825,180.1119393,834.4666208,-220.3842275,-137.6795108,57.41187487,-198.5526858,170.3704881,-297.3032336,-8.074157748,216.9781421,1.933466105,0.00305569,-0.071643335,-0.551936798,-0.36813456,-0.55397487,0.090237917,0.276862006,0.208800898,3.597812604,-1.784138476,-0.137787135,0.397833172,-0.920423934,1.412063615,-1.181879474,-0.28130229,0.69672822,20.19020202,-11.10909581,0.079341507,2.146414257,-5.224843349,8.560711107,-6.098221609,-1.833942513,3.384535402,11.44736842,-1.13434903,-0.18767313,-3.022160665,-0.930747922,-3.144044321,-0.024238227,0.918282548,1.801246537,0.016496574,-0.006204293,-6.04E-04,-0.001096274,-3.56E-05,-8.57E-04,8.10E-04,5.97E-04,6.39E-04,35.50283635,0.524725306,-4.848590797,-1.773830327,-5.608713651,-3.071789819,-11.29426308,3.605034347,20.0124377,43.91929583,-12.24356819,-4.302484713,1.913729162,-7.942107433,7.098770338,-19.82021558,-0.448564319,24.10868246,0.101761374,1.70E-04,-0.002238854,-0.018397893,-0.014725382,-0.023082286,0.006015861,0.015381223,0.0232001,0.189358558,-0.099118804,-0.004305848,0.013261106,-0.036816957,0.058835984,-0.078791965,-0.015627905,0.077414247,1.062642212,-0.61717199,0.002479422,0.071547142,-0.208993734,0.356696296,-0.406548107,-0.101885695,0.376059489,0.602493075,-0.063019391,-0.005864785,-0.100738689,-0.037229917,-0.131001847,-0.001615882,0.051015697,0.200138504,-0.376095827,-0.036640415,-0.066454669,-0.002159172,-0.0519388,0.04911059,0.036168377,0.038742124,0.014779814,-0.136569111,-0.04996306,-0.157979312,-0.086522378,-0.318122839,0.10154215,0.563685602,-0.278774237,-0.097963427,0.043573767,-0.180834125,0.161632153,-0.451287189,-0.010213377,0.548931443,0.001668222,-0.022001022,-0.180794466,-0.144705027,-0.22682758,0.059117334,0.15114991,0.227985323,-0.523445073,-0.022739125,0.070031721,-0.194429857,0.31071204,-0.416099308,-0.082530756,0.408823596,-0.580790018,0.002333261,0.067329475,-0.196673661,0.335669233,-0.382582306,-0.095879586,0.353890976,-0.104597701,-0.009734195,-0.167203065,-0.061793103,-0.21743295,-0.002681992,0.08467433,0.332183908,1.399655602,1.54161481,1.257113319,1.190700216,1.113429519,0.078387402,0.060861155,0,1.124008552,1.26763321,1.044564509,1.142829273,1.018809179,1.076853998,0.538426999,0,1.701280548,1.006996019,0.852257056,1.144953872,0.629680616,1.618716012,0.809358006,0,0.92643155,1.586845118,1.335278644,1.191170113,1.330886015,0.073596325,0.036798163,0,2.097216987,0.91597361,0.806150481,1.165129402,0.431030934,1.678393617,0.839196808,0,2.175285132,0.916458686,0.81508216,1.173039699,0.40619871,1.624623473,0.812311737,0,1.048275862,1.474137931,1.257931034,1.100689655,1.277586207,0.288275862,0.262068966,0,26.55549206,13.52774603,21.35801569,26.91263492,3.844662131,13.5277505,0.5,1.22E-15,1.74E-16,-24.03723371,2000011.092,285715.8702,10.1560643,26.57511223,13.53682169,21.37370599,26.93120591,3.84731513,13.53682612,0.498531158,1.11E-16,1.59E-17,-25.7157604,2000011.09,285715.87,10.1560643,43.98093538,21.59147321,35.34503536,43.41094327,6.201563324,21.59147321,-0.797988956,8.88E-16,1.27E-16,-24.26015132,2000010.425,285715.7749,10.15606407,26.59570407,13.54634683,21.39017362,26.95069664,3.85009952,13.54635121,0.4969896,5.55E-16,7.93E-17,-24.58915386,2000011.088,285715.8698,10.1560643,62.41753113,30.1264713,50.1800117,60.87139646,8.695913781,30.1264713,-2.164588529,1.11E-16,1.59E-17,-25.7157604,2000010.219,285715.7456,10.15606399,28.61072873,14.47849855,23.00285236,28.85806328,4.122580468,14.47850019,0.346268372,1.67E-15,2.38E-16,-23.82012526,2000010.944,285715.8491,10.15606425,20.99479333,10.96168238,16.90805231,21.65805864,3.094008377,10.96174958,0.928571429,2.22E-16,3.17E-17,-25.23055737,2000011.474,285715.9248,10.15606443,0,11.89,15.99591715,-0.356023712,0.14720492,4.579487714,5.43928763,6,18,18,18,6,0,0,0,0,0,16.950484,3.37844268,3.112825407,2.665405198,1.975256377,1.680005915,0.897044263,0.608623782,0.083923071,1.692908573,1.632588974,1.257332102,0.852661958,0.798438716,0.083923071,0.083923071,0.083923071,3.254328241,3.095608481,2.646390216,1.92206946,1.762378138,0.571606491,0.453494662,0.270913902,1.694768085,1.574497861,1.229153154,0.758159662,0.665129208,0.270913902,0.270913902,0.270913902,3.507964181,3.310038789,2.918017297,2.317180522,2.144098009,1.198553499,1.097791868,0.943918427,1.411619374,1.303011727,0.88585866,0.304261446,0.207975258,0.943918427,0.943918427,0.943918427,3.238353712,3.11170699,2.654421542,1.950962728,1.826016032,0.453507526,0.431840109,0.399277246,1.701194189,1.538148249,1.19572951,0.699234984,0.575636439,0.399277246,0.399277246,0.399277246,3.53763589,3.38071793,3.001393641,2.438300471,2.308696612,1.208805609,1.208341293,1.207644823,1.367067115,1.230365333,0.808214804,0.172782958,0.048464975,1.207644823,1.207644823,1.207644823,3.669699174,3.333991906,2.905661988,2.409893312,1.929172863,1.420612172,1.143459845,0.588235294,1.452334628,1.38409892,0.985783434,0.486280822,0.445169925,0.588235294,0.588235294,0.588235294,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.535533906,3.414213562,2.060660172,1.207106781,0.676776695,0.353553391,0.176776695,0,0.790790558,0.569035594,0.412132034,0.301776695,0.225592232,0.176776695,0.176776695,0,4.937816924,2.568914101,1.10344969,0.574914957,0.225592232,0.11785113,0.058925565,0,0.705402418,0.42815235,0.220689938,0.143728739,0.075197411,0.058925565,0.058925565,0,9.680565032,18.98834669,18.05098039,18.36,10.75180599,147.7358778,0.509503423,0.999386668,0.9500516,0.966315789,0.565884526,7.775572518,1.0169,28.119,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,54,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,2,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.703333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.727222222,0,0,0,0,0,0,0,0,0,0,0,3.886944444,0,1.909722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.703333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.851666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.351111111,0,0,0,0,0,0,0,0,0,0,0,1.943472222,0,0.4375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.851666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.851666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0,0,0,0,0,0,0,0,0,0,0,1.943472222,0,0.736111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.851666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.5,2.214285714,0.7,4.851666667,0.286388889,0.4375,2.599646111,1.0625,1.351666667,5.406666667,1.0625,1.351666667,5.406666667,3.16666,0.45238,0,0.04762,0.52807,0.91905,0.42174,0.52807,0.91905,0.10633,0,-0.10633,0,0.49223,0.22206,0,0.31579,0,0,4,0.57143,4,0.57143,0,0,-4,-0.57143,0,0,4.69219,0.67031,6.60412,1.91193,0.27313,2.40552,0.34365,3.41421,1.0087,0.1441,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,6.02,2,2,2,2,0,0,1,1.267443804,1.667951197,2.589518303,2.589518303,2.589518303,2.36594317,24.08143227,31.69107275,49.20084775,49.20084775,49.20084775,44.95292024,0.298367569,0.392650579,0.60959569,0.60959569,0.60959569,0.556964111,2.98048371,2.579976316,1.658409211,1.658409211,1.658409211,1.881984343,0.303948825,0.399995491,0.620998771,0.620998771,0.620998771,0.567382667,11.97254971,16.77863843,17.70741683,17.70741683,17.70741683,15.02451524,25.70002921,20.041512,20.74458194,20.74458194,20.74458194,19.40313115,7,6,6,7,0,2,1.79,0.9305,0.166666667,2.432880798,0,0,1.190550789,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0.003,0.507,0.516,0.497,0.068,2.989,5,4,3,2,1,0,0,0,0,28,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.666666667,6,1,0,3,6,1,0.5,0.222222222,0.125,0.08,0.055555556,0,0,0,0,0,0.083333333,0.044444444,0.03125,0.026666667,0.027777778,0,0,0,0,0,0.213472222,16.6253823,26.72321698,33.2507646,4.750109229,16.62538247,3.33E-16,4.76E-17,-24.9467318,2000010.71,285715.8157,10.15606417,18.46,112.6168352,3.807354922,3.135494216,3.713572067,4.317488114,4.919980926,5.533389489,6.142037406,6.758094504,7.368339686,7.985143931,62.87354034,2.564949357,0,3.496507561,0,4.574710979,0,5.720311777,0,6.900730664,7.275172319,104.0837296,5.478091033,12.83378878,1.833398397,5.633883476,5.633883476,0,56,4,0.813,22,1.222777778,2.062849667,2.785226982,3.563542498,4.676399105,5.748848532,6.639684529,7.512021467,0,0,93.26591279,82.86827458,96.60261692,125.022332,100.4424814,116.1426083,33.32097031,7.63269458,0,0,251.1200988,254.8217284,327.2842081,443.8004581,460.2430975,696.4698396,406.8225536,233.5017554,0,0,9.683418122,16.60198208,21.49110296,27.56221477,35.48220998,40.61439981,45.56490717,50.46924579,0,0,1.715472551,1.892023929,2.50275336,3.45600238,3.82927437,6.333921485,4.554881182,3.339941686,0,0,182.848319,347.2579865,472.7922247,586.2374089,812.6804896,907.8350994,1151.612277,1389.105372,0,0,3.441833333,5.646153434,5.982882192,8.555623593,9.074303651,9.937592964,9.03573253,7.512021467,0,0,0.422814167,0.498408442,0.631517554,0.865525379,0.930665633,1.355700674,1.009599901,0.769230998,0,0,406.9397576,322.6931718,16.79421885,119.2796299,-94.58579896,-16.87605076,287.6601277,417.2789707,33.67026961,0.773327185,0.613229348,0.031914861,0.226672815,-0.179745941,-0.032070371,214.13959,169.8074032,8.837443554,62.76725378,-49.77288119,-8.880505095,0.185513281,0.44771094,0.204194988,10.62099928,488.1716243,38.04776318,0.927696006,0.072303994,514.8827339,22.69102761,8.014986148,631.1271669,25.12224446,8.577728414,789.3995243,28.09625463,9.241992678,2.47439102,2.47439102,575.5250964,552.2076063,40.04688638,1.042225949,14.37128197,13.78902722,3.754490789,4.23432431,8.268098663,0.952637082,3.346807025,3.428158686,6.307406355,7.39791858,6.681625292,1.68650239,3.150811271,6.046059247,0.306299863,0.263849861,7.906269842,5.813707996,0.132146597,3.918293036,1.341257501,0.009235738,1.09E-23,2.47E-66,1.08E-130,9.17E-217,0,0,0,0,0,0,0,0,0,0,0.280874801,3.936233555,0.837912507,0.973860826,0.211946917,1.91466818,0.260993661,3.741866612,0.015268691,0.025132959,0.329613525,0.273955772,0.103945619,0.328694911,0.009446586,6.50E-05,7.67E-26,1.74E-68,7.64E-133,6.46E-219,0,0,0,0,0,0,0,0,0,0,0.90669672,2.991296946,1.263124528,2.118334734,0.679696334,1.396865007,0.844471342,2.803986702,0.037533945,0.073839219,1.276634912,1.025331297,0.105830062,1.061159669,0.098440712,6.78E-04,7.99E-25,1.82E-67,7.96E-132,6.73E-218,0,0,0,0,0,0,0,0,0,0,3.15911297,3.934362812,7.603510932,7.109058887,6.527871164,1.975268683,2.972354025,6.422095371,0.318602417,0.249301175,7.230336502,5.340347057,0.129050376,3.698452413,1.195036286,0.008228877,9.70E-24,2.20E-66,9.66E-131,8.17E-217,0,0,0,0,0,0,0,0,0,0,1.336303921,2.632217492,1.348196635,2.955374053,1.116087871,1.200490346,1.246727476,2.628647419,0.052878348,0.107262302,2.104749964,1.653780537,0.108273343,1.564047621,0.213826381,0.001472383,1.74E-24,3.94E-67,1.73E-131,1.46E-217,0,0,0,0,0,0,0,0,0,0,4.041754177,3.748833818,9.032530634,8.960673873,9.747832716,1.885966438,3.816970052,7.669383555,0.446971765,0.318013812,10.64976569,7.71874867,0.14516579,4.732363829,1.956098011,0.013469457,1.59E-23,3.61E-66,1.58E-130,1.34E-216,0,0,0,0,0,0,0,0,0,0,2.026613715,4.750393369,7.146804398,4.411329839,3.673730534,2.405695218,2.162939647,6.822697228,0.214266756,0.138782755,3.951384193,2.841335159,0.153419848,2.710990142,0.464102941,0.003195757,3.77E-24,8.56E-67,3.75E-131,3.17E-217,0,0,0,0,0,0,0,0,0,0,7.335633523,0.752030619,0.436829068,0.860536027,0.08821998,0.617671152,0.468582551,0.526296249,8.524493211,9.049547815,19.98386145,0.790804041,1.612549952,5.225585897,0.32349181,0.080328667,0.928265886,0.05746464,0.313438288,0.086704501,0.017797063,5.629406374,2.136184255,7.901380958,0.892398829,0.417939853,6.533377975,0.510595283,0.232271388,0.89790521,0.070172913,0.489956624,0.216007417,0.148798532,7.276244647,4.972025426,13.02310698,0.846857814,0.854762572,7.074512847,0.721602861,0.412584058,0.861831112,0.087907084,0.574480305,0.431431209,0.469496221,8.208699766,8.321541765,18.63647849,0.792746668,1.475407734,7.068053637,0.60281809,0.308218195,0.885822031,0.07554973,0.573431753,0.301083959,0.262013555,7.979089921,6.625052829,15.91738361,0.828733046,1.136529268,7.364240716,0.775808603,0.457458676,0.856555262,0.09023645,0.622498081,0.498682638,0.577179571,8.597507995,9.436977483,20.64805728,0.784832894,1.698360289,7.224879317,0.734548655,0.422187716,0.861991242,0.087638074,0.599160617,0.447050105,0.491607386,8.381615687,8.667398098,19.28957471,0.792986863,1.537818108 +UMLYSI0389,L,butyric acid,CCCC(=O)O,saturated esters,C4H8O2,107-92-6,264,PubChem,,18.1,1,-0.4417,0.19509889,20.5788,13.978344,0,0,14,6,8,0,4,0,2,0,0,0,0,0,0,0,1097.120998,917.996949,1079.189597,716.244403,505.39281,110.901168,3.048192,0,0,2375.519116,2761.179655,3201.141703,2667.774434,1641.129948,668.985889,93.25123329,0,0,110.613208,101.983908,167.50442,199.08982,140.17068,77.381568,20.155392,0,0,15.99891124,19.37495816,24.48528024,21.49590346,12.82883242,5.211378036,1.333838715,0,0,2357.421212,1944.111836,3507.785487,4433.559298,3139.255171,1634.063512,554.7529561,0,0,104.2777778,47.41666667,91.5,79.16666667,66.5,43,3,0,0,78.36578557,70.61514992,49.05407259,27.54786165,28.07737833,12.322352,1.016064,0,0,169.6799369,212.398435,145.5064411,102.606709,91.17388598,74.33176544,31.08374443,0,0,7.900943429,7.844916,7.613837273,7.657300769,7.78726,8.597952,6.718464,0,0,1.142779374,1.490381397,1.112967284,0.826765518,0.712712912,0.579042004,0.444612905,0,0,168.3872294,149.5470643,159.4447949,170.5215115,174.403065,181.5626124,184.917652,0,0,7.448412698,3.647435897,4.159090909,3.044871795,3.694444444,4.777777778,1,0,0,0.309678593,-0.222389992,0.125747178,-0.065340737,0.035633753,-0.043738414,0.015248916,0,0,542.6447669,-53.76997608,47.60858737,-75.22168445,8.394056327,-282.1361018,83.80273524,0,0,629.6301992,-55.77123736,-218.814798,-52.14159581,27.07160763,-108.9677849,93.80870889,0,0,1.814294857,-0.179448653,0.97114751,-0.469901878,-0.411361959,-0.932494694,0.114912245,0,0,2.75181886,-0.220612097,-1.32847674,-0.261306399,-0.133625449,0.287302653,0.280808603,0,0,15.67280268,-1.230135652,-7.367001686,-1.692436974,-1.380190069,2.50573084,1.327632203,0,0,49.6031746,-4.575963719,24.92120181,-14.93764172,-8.454081633,-24.61394558,2.858843537,0,0,0.0221199,-0.017106922,0.005715781,-0.002513105,0.001979653,-0.004859824,0.005082972,0,0,38.76034049,-4.136152006,2.164026699,-2.89314171,0.466336463,-31.34845576,27.93424508,0,0,44.97358566,-4.290095181,-9.946127183,-2.005445993,1.503978202,-12.10753166,31.26956963,0,0,0.12959249,-0.013803743,0.044143069,-0.018073149,-0.022853442,-0.103610522,0.038304082,0,0,0.19655849,-0.016970161,-0.060385306,-0.010050246,-0.007423636,0.031922517,0.093602868,0,0,1.119485906,-0.094625819,-0.334863713,-0.06509373,-0.076677226,0.278414538,0.442544068,0,0,3.5430839,-0.351997209,1.132781901,-0.574524682,-0.469671202,-2.734882842,0.952947846,0,0,-0.773372522,0.258399945,-0.113612871,0.08949647,-0.219703699,0.229791818,0,0,-0.106710931,0.055830952,-0.074641803,0.012031279,-0.808776584,0.720691427,0,0,-0.095391442,-0.221154863,-0.044591641,0.033441367,-0.269214284,0.695287449,0,0,-0.106516532,0.340629837,-0.139461393,-0.176348508,-0.799510232,0.295573314,0,0,-0.086336445,-0.307212913,-0.051131071,-0.037768076,0.162407215,0.476208723,0,0,-0.084526137,-0.299122759,-0.058146091,-0.068493248,0.248698565,0.395310084,0,0,-0.099347692,0.319716364,-0.162153846,-0.13256,-0.771893333,0.26896,0,0,1.64820884,0.453292215,0.880268613,0.987899807,1.829817161,0.821107139,0,0,1.017240467,0.808322427,0.978534621,0.941628112,1.955730485,0,0,0,1.372421864,1.300025074,0.908133441,0.747420584,0.832547129,0,0,0,0.810999378,0.314870138,1.030410792,1.245007479,2.70322776,0,0,0,1.557169887,1.458466872,0.876660805,0.735611396,0.292926025,0,0,0,1.575555579,1.446298133,0.875006132,0.760044629,0.252028421,0,0,0,0.77112,0.338685455,1.071,1.198166667,2.67904,0,0,0,18.80362337,9.651811683,15.52991746,19.1369567,3.189492783,9.652002013,0.5,0.183291417,0.030548569,-1.01800677,46.02006983,7.670011638,2.297446561,18.80835195,9.653441555,15.53201533,19.14070606,3.190117676,9.6536315,0.498531158,0.183157094,0.030526182,-1.018446635,45.80942715,7.634904524,2.294693942,23.02466437,11.11333771,17.5069055,22.49267174,3.748778623,11.11337304,-0.797988956,0.060855604,0.010142601,-1.679550819,20.29341848,3.382236414,1.806177972,18.81331477,9.655152186,15.53421737,19.14464117,3.190773529,9.655341728,0.4969896,0.183016112,0.030502685,-1.018908653,45.59203398,7.59867233,2.291839805,27.53373971,12.68457559,19.89385131,26.09068069,4.348446781,12.6845823,-2.164588529,0.073693558,0.01228226,-1.564703931,20.79271118,3.465451863,1.820761501,19.29922294,9.822745658,15.75112062,19.53006852,3.255011421,9.822899924,0.346268372,0.169185525,0.028197588,-1.06605563,33.7690471,5.628174517,2.11172677,18.31908117,9.435077897,15.75712913,18.69620957,3.116034928,9.435418023,1.428571429,0.259283621,0.043213937,-0.809899653,21.81659417,3.636099028,1.849602528,0,11.99646145,15.99825808,-0.351365017,0.278687302,3.564558108,6.152008013,5,13,12,12,4,1,1,0,0,1,9.703656,3.489945488,2.96087441,2.121390608,1.728015196,1.332142786,0.083923071,0.083923071,0.083923071,1.791819956,1.31338059,0.814420802,0.582300851,0.13069606,0.083923071,0.083923071,0.083923071,3.416932706,2.865844514,2.09235737,1.45941179,1.29467941,0.270913902,0.270913902,0.270913902,1.756325568,1.330094087,0.834453439,0.483350686,0.211748192,0.270913902,0.270913902,0.270913902,3.588975997,3.1269141,2.455032776,1.982795269,1.830131695,0.943918427,0.943918427,0.943918427,1.546853749,1.021201338,0.392662802,0.050219084,0.363648239,0.943918427,0.943918427,0.943918427,3.41576485,2.845809787,2.099526041,1.508376409,1.230953356,0.399277246,0.399277246,0.399277246,1.744072397,1.341670456,0.807584684,0.411650308,0.237864574,0.399277246,0.399277246,0.399277246,3.621078359,3.163313234,2.557294285,2.103230243,1.924129899,1.207644823,1.207644823,1.207644823,1.503128929,0.980438764,0.302139498,0.21802599,0.447986619,1.207644823,1.207644823,1.207644823,5.003263371,3.975216568,3.305384838,2.494820877,1.681406712,0.6,0.6,0.6,1.606448855,0.949530979,0.330179051,0.104969836,0.521096683,0.6,0.6,0.6,0,0,1,0,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.064549722,0,0,0,0.288675135,0.288675135,0,0.045643546,0.045643546,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,3.769675448,1.988391115,1.143738543,0.463865471,0.213865471,0,0,0,0.628279241,0.397678223,0.228747709,0.154621824,0.106932736,0,0,0,7.596909424,14.21267298,13.6,13.84,8.154697006,108.4220623,0.542636387,1.015190927,0.971428571,0.988571429,0.582478358,7.74443302,0.8711,22.5438,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,1,0,2,1,1,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,3,1,0,0,0,0,0,0,0,0,0,0,1,0,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.826666667,0,17.51277778,-0.710648148,7.935425926,0,0,0,0,0,0,0,0,0.826666667,0,0,0,0,0,0,0,0,0,0,0,0,0,1.186527778,0.5125,0,0,0,0,0,0,0,0,0,0,1.841388889,0,1.023148148,0,0,0,0,0,0,-0.710648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.913472222,9.599305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.826666667,0,7.913472222,-0.710648148,7.935425926,0,0,0,0,0,0,0,0,0.826666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305625,0.5125,0,0,0,0,0,0,0,0,0,0,1.841388889,0,0.291666667,0,0,0,0,0,0,-0.710648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.913472222,9.599305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.826666667,0,9.599305556,0,7.935425926,0,0,0,0,0,0,0,0,0.826666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,1.841388889,0,0.731481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.913472222,9.599305556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.66666667,3.277777778,0.826666667,9.599305556,0.305625,-0.710648148,1.388838796,2.377314815,2.599305556,9.025555556,2.377314815,2.599305556,9.025555556,2.66666,0.44444,0,0.05556,0.58095,0.95556,0.42,0.58095,0.86191,0.16095,0,-0.16095,0.09365,0.46511,0.24918,0,0.4375,0.1875,0,4.5,0.75,3,0.5,1.5,0.25,-1.5,-0.25,0,0,3.49584,0.58264,5.69868,2.20285,0.36714,1.87183,0.31197,2.77005,0.89822,0.1497,0.14395,0.02399,0.14395,0.02399,0,5.02,2,2,2,2,1,1,0.75,1.378783493,2.403677461,3.182005815,3.182005815,2.910051892,1.965093343,19.30296891,33.65148445,44.54808141,44.54808141,40.74072648,27.5113068,0.362136843,0.631324768,0.835752348,0.835752348,0.764323776,0.516130853,2.428571429,1.403677461,0.625349107,0.625349107,0.89730303,1.842261579,0.362136843,0.631324768,0.835752348,0.835752348,0.764323776,0.516130853,13.07637292,22.53154235,23.31596115,23.31596115,20.05251407,13.12143098,22.5008675,14.65011084,14.1829945,14.1829945,12.55127096,8.485722478,6,3.2,5.333333333,6,3,4,1.68,0.7466,0,1.414213562,0.333333333,0,1,1.414213562,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0.591,0.411,0.402,0.508,0.152,2.871,5,3,2,0,0,0,0,0,0,21,1.945910149,2.079441542,1.609437912,1.386294361,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,37.3,92.6843919,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,88.0524295,6.28945925,10.67917749,1.779862916,4.695140653,4.695140653,0,32,3,0.742,20,1.220307692,2.123168042,2.829299566,3.40898646,4.686289054,4.89630384,0,0,0,0,96.64418046,114.6821119,87.61676319,119.5514455,59.80161923,4.974958065,0,0,0,0,282.5768482,328.8753896,309.343149,354.1682692,354.5942167,152.1954572,0,0,0,0,9.580981942,16.31662844,21.78679261,26.90434383,40.69054387,32.89564108,0,0,0,0,1.946832103,2.461441395,2.428655988,2.636143582,2.71704412,2.176959873,0,0,0,0,180.0720994,335.8237518,480.4987635,585.8591986,851.3570204,905.4130097,0,0,0,0,4.494583333,9.417392711,8.935437966,13.81682577,23.09537464,4.89630384,0,0,0,0,0.450244085,0.593742378,0.620381076,0.736377845,0.884461493,0.501381513,0,0,0,0,269.7415958,191.3117708,13.09559332,214.8506091,-152.3808382,-32.86830336,54.89098677,343.692609,45.96389668,0.556636267,0.394789204,0.027023945,0.443363733,-0.314451691,-0.067826727,130.7146747,92.70819283,6.346022442,104.1149304,-73.84256638,-15.9277236,0.364955438,0.467431687,3.213659786,18.25064747,369.4238071,115.1683978,0.762339558,0.237660442,426.2231226,20.6451719,7.525678633,510.967463,22.60458942,7.994618584,662.9070979,25.74698231,8.719352253,1.575176954,1.39766347,302.7262936,251.2664738,61.4891344,1.204801775,4.923248579,4.086355684,3.454721728,3.220194404,5.446702271,0.691420327,2.890124351,2.961710358,1.502352346,7.526657343,3.661480989,0.425407756,2.249724116,3.062976294,0.009573698,1.511694148,1.01E-13,1.31E-48,3.29E-105,1.59E-183,1.48E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.284819236,2.985697385,0.103639171,2.605647893,0.185827127,0.379431344,0.222610891,0.28631807,0.009531931,0.168333671,1.13E-14,1.47E-49,3.68E-106,1.78E-184,1.65E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.717406982,2.940846281,0.348564243,2.79552847,0.454399811,0.229562677,0.398960623,0.750491471,0.005291413,0.291985479,1.96E-14,2.55E-49,6.37E-106,3.08E-184,2.87E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.021739928,2.985727551,1.402532531,7.889013147,3.816225887,0.506672284,2.360114611,3.212597261,0.011704589,1.896459301,1.27E-13,1.65E-48,4.13E-105,2.00E-183,1.86E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.963151951,2.923810874,0.528767834,2.998962867,0.636948498,0.181202925,0.517439876,1.009433091,0.003818605,0.289663096,1.94E-14,2.52E-49,6.31E-106,3.05E-184,2.84E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.724063413,2.976995367,1.888649206,9.946657018,5.338658036,0.525955097,3.158418345,3.959227168,0.012185801,2.207829491,1.48E-13,1.92E-48,4.81E-105,2.32E-183,2.16E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.257517027,2.94718226,0.809688395,9.743870868,4.593588644,0.972525579,2.686317323,3.794658663,0.03192275,3.253994228,2.19E-13,2.84E-48,7.11E-105,3.43E-183,3.20E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.995379501,0.860210348,0.355408725,0.711322849,0.204277046,0.551057685,0.485927092,0.428556671,4.210998574,3.946966716,9.073731472,0.566984273,1.465541448,3.416838266,0.682058035,0.056926066,0.822181019,0.164121075,0.765309241,0.303763774,0.010994473,4.155822366,2.563816032,6.852303568,0.733271528,1.080067489,2.89916667,0.671524894,0.177439565,0.773496596,0.179162594,0.528245435,0.313987621,0.106820109,3.748131129,2.580444549,6.674026129,0.660244894,0.949053165,3.118086166,0.887649975,0.330456898,0.7190838,0.204707209,0.599461698,0.533156719,0.370494473,4.336193039,4.091492246,9.342313679,0.578625699,1.50311289,2.730919257,0.678152188,0.243625561,0.747644618,0.185657936,0.461198609,0.314855258,0.201371403,3.652697007,2.682515814,6.786402213,0.621466927,0.97742527,3.051919203,0.894004547,0.373689738,0.706525992,0.206964014,0.571789716,0.521397317,0.4737775,4.319613487,4.202980854,9.542180499,0.559788988,1.566964534,3.121294292,0.897939265,0.329978083,0.717668982,0.206460237,0.601397826,0.548472064,0.369421596,4.349211641,4.128991689,9.403043695,0.576503474,1.519291487 +UMLYSI0390,L,methyl propyl ether,CCCOC,saturated ethers,C4H10O,557-17-5,11182,PubChem,,18,0,-0.2769,0.07667361,20.8383,14.50993,0,0,15,5,10,0,4,0,1,0,0,0,0,0,0,0,843.185125,793.9271,678.419495,499.913614,265.373305,78.738912,9.144576,0,0,2221.295828,2599.858971,2841.130961,2348.477273,1616.245809,874.9221648,279.7536999,0,0,110.69842,106.32512,190.277156,174.877696,152.163748,83.016576,60.466176,0,0,16.24493305,19.3919231,23.16978196,20.77934812,15.29628037,9.348943289,4.001516144,0,0,2541.80523,2091.500846,4190.29757,4030.908235,3666.971749,2028.241198,1664.258868,0,0,34.75,35.5,51.25,44,35,18,9,0,0,56.21234167,56.70907857,27.1367798,20.82973392,12.63682405,6.561576,1.016064,0,0,148.0863886,185.7042122,113.6452385,97.85321971,76.96408613,72.9101804,31.08374443,0,0,7.379894667,7.594651429,7.61108624,7.286570667,7.245892762,6.918048,6.718464,0,0,1.082995537,1.385137364,0.926791278,0.865806172,0.728394303,0.779078607,0.444612905,0,0,169.453682,149.3929176,167.6119028,167.9545098,174.6177023,169.0200999,184.917652,0,0,2.316666667,2.535714286,2.05,1.833333333,1.666666667,1.5,1,0,0,0.173733902,-0.026409758,-0.08563933,0.019030225,-0.006331645,0.001541083,0.010942475,0,0,476.9038497,-21.78432588,-165.8398278,-82.19505944,-33.87508229,-74.01178979,139.2541604,0,0,665.1575892,-169.0438689,-102.430812,-153.3001519,60.90604493,-159.9896015,191.2795949,0,0,1.034995733,0.036481849,-0.430165156,-0.09276064,-0.190486293,0.046805013,0.11262736,0,0,2.896898448,-1.158801944,-0.047964027,-0.741269097,0.558209469,-0.7468714,0.688247774,0,0,16.06108614,-6.990238497,0.27240673,-4.163447065,3.449729809,-4.083163477,3.484169428,0,0,6.733333333,0.148888889,-3.188888889,-0.006666667,-0.943333333,-0.586666667,1.21,0,0,0.01158226,-0.001886411,-0.003425573,7.93E-04,-3.02E-04,1.28E-04,0.001215831,0,0,31.79358998,-1.556023277,-6.633593113,-3.424794143,-1.613099157,-6.167649149,15.47268448,0,0,44.34383928,-12.07456207,-4.097232481,-6.38750633,2.900287854,-13.33246679,21.25328832,0,0,0.068999716,0.002605846,-0.017206606,-0.003865027,-0.009070776,0.003900418,0.012514151,0,0,0.193126563,-0.082771567,-0.001918561,-0.030886212,0.026581403,-0.062239283,0.076471975,0,0,1.070739076,-0.49930275,0.010896269,-0.173476961,0.164272848,-0.340263623,0.387129936,0,0,0.448888889,0.010634921,-0.127555556,-2.78E-04,-0.044920635,-0.048888889,0.134444444,0,0,-0.162870742,-0.29576034,0.068460389,-0.026031785,0.011087952,0.104973512,0,0,-0.048941415,-0.208645614,-0.107719642,-0.050736616,-0.193990334,0.486660503,0,0,-0.272294016,-0.092396882,-0.144044955,0.065404527,-0.300661084,0.479283902,0,0,0.037766045,-0.249372133,-0.05601511,-0.131461062,0.056528027,0.181365257,0,0,-0.428587171,-0.009934216,-0.159927313,0.13763722,-0.322271998,0.395968186,0,0,-0.466315988,0.0101764,-0.162016092,0.153420055,-0.317783885,0.361553944,0,0,0.023691655,-0.284158416,-6.19E-04,-0.100070721,-0.108910891,0.29950495,0,0,1.149403756,1.83285037,0.809389771,1.02674695,0.148553835,0.035266853,0,0,1.302640332,1.308778733,1.025029362,0.894324428,0.888504112,0,0,0,1.744076533,1.043050378,1.075454498,0.689550301,1.184600401,0,0,0,0.911157379,1.806380239,0.934834127,1.127899014,0.080199364,0,0,0,1.997151618,0.957141327,1.092829716,0.585334547,1.215950459,0,0,0,2.04802765,0.954709654,1.093746509,0.567328106,1.191338758,0,0,0,1.002475248,1.642574257,0.88799505,1.064356436,0.51980198,0,0,0,14.34650261,7.298251307,11.89016317,14.49650261,2.899300523,7.299928529,0.25,0.07884827,0.015769654,-1.270114953,14.80722016,2.961444033,1.347557455,14.35300488,7.301135232,11.89479086,14.50256423,2.900512846,7.302807,0.249265579,0.078589106,0.015717821,-1.271761096,14.82321829,2.964643657,1.348097377,20.18494291,9.892974215,16.30942025,19.94554622,3.989109244,9.893073928,-0.398994478,0.089895125,0.017979025,-1.204555782,13.90412991,2.780825981,1.316092956,14.35982941,7.304162104,11.89964887,14.50892629,2.901785257,7.305828167,0.2484948,0.078317281,0.015663456,-1.273493501,14.84009017,2.968018035,1.348666157,26.44420503,12.68095538,21.33245447,25.79482847,5.158965694,12.68096093,-1.082294264,0.178259051,0.03565181,-0.862258723,11.36092311,2.272184623,1.215089835,15.0287475,7.600940845,12.38048946,15.13262802,3.026525603,7.602134541,0.173134186,0.052591107,0.010518221,-1.472604121,17.02908676,3.405817352,1.417461434,14.29836089,7.344079661,12.26243766,14.52149266,2.904298531,7.34586674,0.416666667,0.181414423,0.036282885,-0.853485618,10.74205785,2.148411569,1.187083338,0,11.99646149,15.99794197,-0.410937834,0.063132094,4.166232549,5.676640992,4,14,14,14,4,0,0,0,0,0,12.84807,3.34547296,2.839499267,2.231824606,1.458965624,0.764304772,0.083923071,0.083923071,0.083923071,1.765671069,1.427964099,1.129316537,0.649394268,0.083923071,0.083923071,0.083923071,0.083923071,3.311888936,2.78957993,2.298507174,1.520757684,0.517642958,0.270913902,0.270913902,0.270913902,1.724871829,1.383526422,1.018987635,0.512536084,0.270913902,0.270913902,0.270913902,0.270913902,3.505984097,3.076467444,2.593823196,1.95574876,1.152870809,0.943918427,0.943918427,0.943918427,1.484047044,1.037998118,0.645030512,0.011482142,0.943918427,0.943918427,0.943918427,0.943918427,3.32208197,2.795629844,2.347929643,1.586402516,0.443646108,0.399277246,0.399277246,0.399277246,1.702223614,1.349939256,0.944960181,0.421218526,0.399277246,0.399277246,0.399277246,0.399277246,3.559984872,3.155160216,2.72581682,2.129660577,1.208594559,1.207644823,1.207644823,1.207644823,1.425059111,0.956627648,0.519092529,0.161527608,1.207644823,1.207644823,1.207644823,1.207644823,3.537697609,3.099851196,2.445517901,1.764866267,1.266435112,0.571428571,0.571428571,0.571428571,1.611887602,1.088839327,0.832610437,0.295316432,0.571428571,0.571428571,0.571428571,0.571428571,0,0,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,3.822461853,1.904030206,0.99279928,0.40824829,0.204124145,0,0,0,0.764492371,0.476007552,0.330933093,0.204124145,0.204124145,0,0,0,7.423938123,14.76984705,13.97647059,14.2,8.473011976,116.5531018,0.494929208,0.98465647,0.931764706,0.946666667,0.564867465,7.770206786,1.0428,22.167,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.690972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.023611111,0,0,0,0,0,0,0,0,0,0,0,3.798611111,0,2.010416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.690972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.690972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.711805556,0,0.888888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.690972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.690972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,2.086805556,0,1.121527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.690972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.5,2.1,0.45,4.690972222,0.2625,0.888888889,2.610020833,0.611111111,1.190972222,2.555555556,0.611111111,1.190972222,2.555555556,2.33333,0.46667,0,0.03333,0.48444,0.85333,0.41765,0.48444,0.85333,0.0668,0,-0.0668,0,0.54687,0.16742,0,0.42857,0,0,2.5,0.5,2.5,0.5,0,0,-2.5,-0.5,0,0,3.13216,0.62643,4.09272,0.96056,0.19211,1.83736,0.36747,2.41421,0.57685,0.11537,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4.01,1,1,1,1,0,0,1,1.158938532,1.692271866,3.006238929,3.006238929,2.745779556,1.703942063,17.38407799,25.38407799,45.09358393,45.09358393,41.18669333,25.55913095,0.296639618,0.433150564,0.769470978,0.769470978,0.702804312,0.436137645,2.747952063,2.21461873,0.900651667,0.900651667,1.16111104,2.202948532,0.304394667,0.444474419,0.789587257,0.789587257,0.721177724,0.447539591,10.66110191,17.06110191,18.3853508,18.3853508,15.25983833,5.977682137,18.1875248,12.23444994,12.6713553,12.6713553,11.10859906,8.212509492,5,4,4,5,0,3,1.79,0.7309,0.25,2.149139864,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.296,0.29,0.312,0.054,2.13,3,2,1,0,0,0,0,0,0,15,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,0,0,2.772588722,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.5,4,1,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,9.23,86.5306239,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,74.07316494,4.938210996,8.849873734,1.769974747,2.633883476,2.633883476,0,20,2,0.801,14,1.212857143,2.057585421,2.806662479,3.476475049,4.744853307,5.479719658,0,0,0,0,79.50058765,62.12016736,69.81663195,55.38571458,33.22126648,5.567745874,0,0,0,0,243.9931819,250.0723507,294.9724288,306.4813747,361.6932418,170.3302054,0,0,0,0,9.308761902,15.73075571,20.54895809,25.55726361,32.90025427,36.81529925,0,0,0,0,1.760303352,2.002251579,2.52382326,2.764867714,3.822519877,2.436354075,0,0,0,0,180.0317327,341.7969728,469.0260362,599.6429154,795.9911099,1013.296893,0,0,0,0,3.228875,4.337812907,5.368722159,6.30053982,7.305499813,5.479719658,0,0,0,0,0.409321071,0.482785418,0.594689671,0.65160214,0.838217938,0.561123293,0,0,0,0,337.7990301,161.9570378,12.37546595,156.6992954,-75.12914915,-14.67906481,181.0997347,237.086187,27.05453076,0.683114609,0.327517869,0.025026305,0.316885391,-0.151930038,-0.029684761,167.0410548,80.08748401,6.119647193,77.48753921,-37.15123846,-7.258772967,0.117411824,0.800621936,2.561026583,17.21460683,472.9967828,21.50154281,0.956518472,0.043481528,319.5229361,17.8752045,6.836503064,416.3932969,20.40571726,7.467374113,437.2483813,20.91048496,7.590016793,1.957139279,1.957139279,240.6520045,227.0657931,26.98637455,1.059833809,8.917537404,8.414090327,3.107447056,3.220194404,6.200953468,0.925645688,2.789005726,2.662636715,5.600944186,7.123127945,5.270946365,2.089697749,1.546619447,2.088159032,0.01224884,1.920109475,1.177019511,2.61E-04,3.74E-28,1.03E-73,5.48E-141,5.62E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234062164,2.91659231,0.512263574,1.448835256,0.192770705,0.423634775,0.080241536,0.16749383,0.001126363,0.160547706,0.008289845,1.84E-06,2.63E-30,7.26E-76,3.86E-143,3.96E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.755580509,2.444129632,1.024828342,2.051079952,0.786744758,0.527757089,0.288755304,0.518230904,0.001869606,0.518658821,0.086386573,1.92E-05,2.74E-29,7.56E-75,4.02E-142,4.12E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.632593971,2.915729848,6.491713746,6.826480343,4.803490749,1.912888134,1.430711343,2.006922673,0.011027696,1.812017864,1.048703194,2.33E-04,3.33E-28,9.18E-74,4.88E-141,5.01E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.11358654,2.264597057,1.180888207,2.588506824,1.325903342,0.66972595,0.457358743,0.758346728,0.002833244,0.764803519,0.18764318,4.17E-05,5.96E-29,1.64E-74,8.73E-142,8.96E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368128327,2.823011793,8.012377656,9.314140047,7.179502861,2.860006395,2.03584775,2.607338108,0.017383584,2.320747004,1.716572339,3.81E-04,5.45E-28,1.50E-73,7.99E-141,8.20E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.639252616,3.156984501,5.237529328,4.27160922,2.053129165,0.972591758,0.804273371,1.374010708,0.005025752,1.251427108,0.384332902,8.53E-05,1.22E-28,3.36E-74,1.79E-141,1.83E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.002719681,0.588279496,0.44320402,0.79510491,0.116856526,0.579651908,0.45129745,0.533312759,5.034203197,4.389467206,10.46729085,0.692657365,1.564262117,3.011764069,0.30592509,0.090407091,0.88370863,0.089764217,0.326961947,0.109471178,0.022191138,3.40809625,1.221316818,4.712711828,0.825562946,0.458624263,3.508927088,0.409695202,0.242600615,0.843244202,0.098455481,0.44425975,0.214374322,0.159793234,4.161222905,2.388250772,6.898234039,0.764866303,0.818427306,3.928808675,0.581350381,0.424867407,0.796106911,0.117800864,0.557724283,0.437105796,0.490096301,4.935026463,4.200234003,10.10566375,0.694160367,1.48492638,3.722905104,0.459899879,0.313279293,0.828032767,0.102288981,0.501243652,0.275182825,0.26646365,4.496084276,3.022549795,8.055019476,0.742049151,1.042890127,4.046171263,0.610038221,0.464455199,0.790165245,0.119132624,0.592290613,0.485232826,0.585682501,5.120664683,4.630919821,10.89800815,0.685247867,1.66320594,3.973519834,0.581190183,0.431269518,0.796938657,0.116564895,0.570824603,0.438631148,0.504977605,4.985979535,4.273678312,10.25561904,0.695407985,1.514433356 +UMLYSI0391,L,3-methoxy-1-propanol,COCCCO,other multi-oxygen compounds,C4H10O2,1589-49-7,74116,PubChem,,17.9,0,-0.7769,0.60357361,22.2164,15.31193,0,0,16,6,10,0,4,0,2,0,0,0,0,0,0,0,1099.153126,990.110993,900.80534,724.331587,549.575386,276.954933,66.584448,3.048192,0,2437.686605,2869.865488,3245.720236,2815.234036,2029.386833,1207.09617,547.2799748,93.25123329,0,124.050136,118.71254,205.816448,203.853916,182.104264,108.840924,75.84192,20.155392,0,16.88813705,20.15248678,24.68943212,23.18822409,17.58779666,10.99873277,5.385525697,1.333838715,0,2727.256516,2276.905904,4344.174147,4554.620117,4190.729859,2583.48156,1818.18129,554.7529561,0,69,46.75,68.5,62.25,65,32,26,3,0,68.69707037,66.00739953,34.64635923,26.82709581,22.89897442,18.4636622,6.6584448,1.016064,0,152.3554128,191.3243658,124.8353937,104.2679273,84.55778469,80.473078,54.72799748,31.08374443,0,7.7531335,7.914169333,7.916017231,7.550145037,7.587677667,7.2560616,7.584192,6.718464,0,1.055508566,1.343499118,0.949593543,0.858823115,0.732824861,0.733248852,0.53855257,0.444612905,0,170.4535323,151.7937269,167.0836211,168.689634,174.6137441,172.232104,181.818129,184.917652,0,4.3125,3.116666667,2.634615385,2.305555556,2.708333333,2.133333333,2.6,1,0,0.37650877,-0.118269726,-0.109758405,-0.027015655,0.120832856,-0.049941494,-0.037240318,0.033138358,0,591.5296958,-33.68971264,-259.1309833,-99.94182695,36.04333212,41.78931886,-44.99644509,64.16146917,0,684.3519461,-132.8669932,-156.6501447,-150.3320934,27.6552448,-33.70722134,31.90294201,71.82229275,0,1.881327,-0.171455562,-0.895376375,-0.317790813,0.5532125,0.081476437,-0.278709375,0.087979687,0,2.915623878,-0.947018605,-0.206762761,-0.764375396,0.378997117,-0.473146381,0.339500001,0.214994086,0,16.4472548,-5.851675569,-0.660718413,-4.462049439,2.779540586,-3.106662123,2.061469156,1.016468405,0,26.75,-3.015625,-9.09375,-4.578125,4.875,3.359375,-6.09375,1.171875,0,0.023531798,-0.007884648,-0.004221477,-0.00100058,0.005034702,-0.003329433,-0.003724032,0.011046119,0,36.97060598,-2.245980843,-9.966576282,-3.701549146,1.501805505,2.785954591,-4.499644509,21.38715639,0,42.77199663,-8.857799548,-6.025005564,-5.56785531,1.152301867,-2.247148089,3.190294201,23.94076425,0,0.117582937,-0.011430371,-0.034437553,-0.01177003,0.023050521,0.005431762,-0.027870937,0.029326562,0,0.182226492,-0.063134574,-0.007952414,-0.0283102,0.015791547,-0.031543092,0.03395,0.071664695,0,1.027953425,-0.390111705,-0.025412247,-0.16526109,0.115814191,-0.207110808,0.206146916,0.338822802,0,1.671875,-0.201041667,-0.349759615,-0.169560185,0.203125,0.223958333,-0.609375,0.390625,0,-0.335063576,-0.179394584,-0.04252033,0.21395315,-0.141486551,-0.158255303,0.469412468,0,-0.060750447,-0.269581091,-0.100121409,0.040621609,0.075355935,-0.121708703,0.578490826,0,-0.207093431,-0.140863323,-0.130175249,0.026940568,-0.052537835,0.074588386,0.559729873,0,-0.097211135,-0.292878828,-0.100099813,0.196036273,0.046195159,-0.237032159,0.249411718,0,-0.346462102,-0.043640273,-0.155357212,0.086658895,-0.173098278,0.18630661,0.393272649,0,-0.379503288,-0.024721204,-0.160767099,0.112664823,-0.201478786,0.200541105,0.329609099,0,-0.120249221,-0.209202013,-0.101419176,0.121495327,0.133956386,-0.364485981,0.23364486,0,1.240705998,1.306215034,0.879807645,0.743700923,0.782497345,1.261267271,0.491352553,0,1.151283362,1.313988719,1.0055796,0.858640524,0.715064921,1.008304728,0,0,1.616814285,1.129300377,1.077239951,0.769228433,0.908547867,0.521079683,0,0,1.013826942,1.496071656,0.944585037,0.773003577,0.550379599,1.3583157,0,0,1.94407303,1.057891388,1.109369447,0.655055926,0.995297507,0.272994853,0,0,2.002752272,1.057977738,1.111104618,0.623261569,0.99998247,0.249345532,0,0,1.046728972,1.164629763,0.944963655,0.841121495,0.46728972,2.130841121,0,0,20.67241642,10.58620821,17.18421192,21.00574976,3.500958293,10.58628256,0.5,0.040874557,0.006812426,-1.91834849,17.76355206,2.96059201,1.726289233,20.68279841,10.59066478,17.1911125,21.01515251,3.502525419,10.59073877,0.498531158,0.040743102,0.006790517,-1.920281245,17.76611726,2.961019544,1.726375871,29.91356214,14.55778659,23.5127862,29.38156951,4.896928251,14.55778763,-0.797988956,0.05095899,0.008493165,-1.786040457,22.92597232,3.820995386,1.879362258,20.69369462,10.59534211,17.19835554,21.02502102,3.504170169,10.59541571,0.4969896,0.040605212,0.006767535,-1.922315302,17.76881562,2.961469271,1.726466994,39.71994951,18.77768049,30.46422589,38.27689049,6.379481748,18.7776805,-2.164588529,0.109334478,0.018222413,-1.328006092,45.77707401,7.629512335,2.294270039,21.76027739,11.05327288,17.91050854,21.99112297,3.665187162,11.05331727,0.346268372,0.027488175,0.004581362,-2.156399628,18.06331225,3.010552041,1.73632976,18.06028214,9.524925142,15.91303888,18.64905663,3.108176105,9.52520814,1.202380952,0.093956041,0.01565934,-1.418956955,16.4646052,2.744100867,1.680727762,0,11.99646145,15.99825808,-0.421535774,0.071783016,3.767828461,5.911883899,5,15,15,15,5,0,0,0,0,0,12.84807,3.384826476,2.933125445,2.401960125,1.715180249,1.184442577,0.763183654,0.083923071,0.083923071,1.741296394,1.416677559,1.100266714,0.653858355,0.386946205,0.083923071,0.083923071,0.083923071,3.331727147,2.817188585,2.370444505,1.632862331,1.166270157,0.517638578,0.270913902,0.270913902,1.72702743,1.390112533,1.048383482,0.568669309,0.31777083,0.270913902,0.270913902,0.270913902,3.530607184,3.122905187,2.690535535,2.096547266,1.730252904,1.15286814,0.943918427,0.943918427,1.484800547,1.041211096,0.663331987,0.052776053,0.299321165,0.943918427,0.943918427,0.943918427,3.332826661,2.808796761,2.389833857,1.654039794,1.193406822,0.443646107,0.399277246,0.399277246,1.717032372,1.377661149,1.010046287,0.516929561,0.244015365,0.399277246,0.399277246,0.399277246,3.5742918,3.178396186,2.786179869,2.221759238,1.904527208,1.208594559,1.207644823,1.207644823,1.436035983,0.971642486,0.565010814,0.087574408,0.468362276,1.207644823,1.207644823,1.207644823,4.35964429,3.591999407,2.913686554,2.253432267,1.66926688,1.343492555,0.615384615,0.615384615,1.555965887,1.015271816,0.747136405,0.221365091,0.331294168,0.615384615,0.615384615,0.615384615,0,0,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,3.97678223,2.013151191,1.069959468,0.506575596,0.20888729,0.064549722,0,0,0.662797038,0.402630238,0.267489867,0.168858532,0.104443645,0.064549722,0,0,8.138737228,16.10050983,15.3254902,15.6,8.953251497,124.7076228,0.508671077,1.006281865,0.957843137,0.975,0.559578219,7.794226422,0.0152,23.5788,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,1,0,2,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,1,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.748611111,0,12.73958333,0,0,0,3.460246914,0,0,0,0,0,0,0.748611111,0,0,0,0,0,0,0,0,0,0,0,0,0,1.447222222,0,0,0,0,0,0,0,0,0,0,0,1.620694444,0,1.639722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.117361111,0,4.622222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.748611111,0,4.622222222,0,0,0,3.460246914,0,0,0,0,0,0,0.748611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,0,0,0,0,0,0,0,0,0,0,1.620694444,0,0.23,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.117361111,0,4.622222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.748611111,0,8.117361111,0,0,0,3.460246914,0,0,0,0,0,0,0.748611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0,0,0,0,0,0,0,0,0,0,0,1.620694444,0,0.746527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.117361111,0,4.622222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,2.666666667,0.748611111,8.117361111,0.326388889,0.23,1.490486111,1.27,2.117361111,6.479166667,1.27,2.117361111,6.479166667,2.66666,0.44444,0,0.05556,0.54583,0.95556,0.42,0.54583,0.86191,0.12583,0,-0.12583,0.09365,0.46511,0.24918,0,0.3125,0,0,3.25,0.54167,3.25,0.54167,0,0,-3.25,-0.54167,0,0,3.60858,0.60143,5.31294,1.70437,0.28406,1.9991,0.33318,2.91421,0.91511,0.15252,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5.02,2,2,2,2,1,1,1,1.298794941,2.091917187,3.077819531,3.202819531,3,2.827819531,20.78071905,33.47067499,49.2451125,51.2451125,48,45.2451125,0.324698735,0.522979297,0.769454883,0.800704883,0.75,0.706954883,2.701205059,1.908082813,0.922180469,0.797180469,1,1.172180469,0.332436988,0.535442991,0.787792608,0.819787361,0.767874074,0.723803102,12.42520413,19.2199844,21.58762333,19.84021526,19.63580866,15.83957959,22.23794941,15.95225468,14.35845859,15.85845859,16.25,10.85845859,6,5,5.333333333,6,0,3,1.68,0.7896,0,1.040041912,0,0,2.381101578,0,0,0,0,0,0,0.25,0,0,0,0,0,0,0,0.348,0.596,0.601,0.634,0.219,2.98,4,3,2,1,0,0,0,0,0,21,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,0,3.091042453,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.6,5,1,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,29.46,95.32085061,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,90.06807956,5.629254973,10.83915043,1.806525072,5.058820344,5.058820344,0,35,3,-0.331,18,1.214066667,2.07964079,2.804225645,3.431964805,4.681901285,5.624655912,6.229748938,0,0,0,92.27590515,79.49706772,91.06217961,103.0524032,103.2549226,40.74050755,6.329823625,0,0,0,252.6590863,275.7828276,315.5567648,337.6066481,408.3572631,319.7672228,193.6439238,0,0,0,9.692672523,16.53742787,21.31656747,26.77490017,34.25887579,43.22764402,41.85434397,0,0,0,1.719091882,2.061724598,2.494130741,2.749635578,3.584601686,3.059942384,2.769826772,0,0,0,182.6299865,344.7252637,471.1335145,592.0186704,800.0122708,1022.130869,1151.990546,0,0,0,3.932866667,5.62729532,6.785036709,10.9453862,10.93540846,15.66303447,6.229748938,0,0,0,0.42195044,0.524164671,0.626365913,0.707711646,0.890057322,0.849592528,0.637926291,0,0,0,346.5454859,272.2511588,19.35727902,88.96447161,-69.89177894,-34.37984257,257.5810143,342.1429378,53.73712159,0.79572345,0.625131881,0.044447386,0.20427655,-0.16048262,-0.078941576,150.9240098,118.5680906,8.430287762,38.74491325,-30.43856568,-14.97276378,0.26695681,0.503583747,4.67135447,19.20325963,329.6130214,105.8969361,0.756843824,0.243156176,417.202835,20.42554369,7.472210254,522.4170918,22.8564453,8.05389183,600.4016695,24.5030951,8.436208351,2.501857861,2.501857861,412.7255061,395.9160472,30.16800665,1.04245713,13.68090079,13.12370591,3.445902236,3.730373775,6.54147074,0.753569785,3.224442582,3.045357657,7.380714839,9.219982134,4.811680235,2.093338474,4.274827515,3.567097707,0.989630165,2.595519879,0.98115009,2.286111527,1.48E-09,2.51E-40,8.19E-93,5.16E-167,6.27E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290510412,3.426412604,0.71645787,1.667676937,0.189020738,0.446574181,0.437241472,0.220397038,0.084656999,0.094617603,0.624115621,0.19249042,1.65E-10,2.80E-41,9.15E-94,5.77E-168,7.01E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,0.818353257,2.71771023,1.407005481,2.264825344,0.751713145,0.53977381,0.876747219,0.576188855,0.268957123,0.386618795,0.379179299,0.370295111,2.86E-10,4.85E-41,1.59E-93,9.99E-168,1.21E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,3.26656891,3.425010621,8.683395673,8.91836992,4.393938315,1.923804545,5.038015435,3.600152914,0.934503961,2.365128929,1.099304013,2.651632763,1.86E-09,3.15E-40,1.03E-92,6.48E-167,7.88E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,1.139201201,2.448400745,1.586116619,2.873006291,1.251078101,0.676773805,0.996681676,0.832317502,0.395698182,0.651940119,0.312162619,0.41889447,2.84E-10,4.81E-41,1.57E-93,9.90E-168,1.20E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,4.074611588,3.285864558,10.53907406,12.45473044,6.511387487,2.860023612,6.021250576,4.964545171,1.195005235,3.536337053,1.309917228,3.337619921,2.16E-09,3.66E-40,1.20E-92,7.54E-167,9.16E-263,0,0,0,0,0,0,0,0,0,0,0,0,0,3.207397575,4.696443946,9.841961927,6.773380965,2.204253338,1.170399091,6.55095364,2.539066527,0.75268229,1.170970862,2.408364324,4.054363241,3.36E-09,5.69E-40,1.86E-92,1.17E-166,1.43E-262,0,0,0,0,0,0,0,0,0,0,0,0,0,4.479272111,0.65356687,0.414213384,0.807504926,0.117822372,0.571311156,0.620487681,0.499985443,5.547052365,5.053594457,11.8132581,0.711257389,1.69178428,4.379567111,0.284786794,0.074126556,0.924255602,0.060100869,0.548056572,0.108477779,0.016012412,4.73848046,1.592995366,6.423929645,0.886383403,0.672546763,4.165593313,0.433013479,0.220606536,0.864372052,0.089851486,0.494529158,0.262650896,0.141822734,4.819213328,2.818240766,8.035374909,0.796558078,0.899002788,4.543422359,0.63043607,0.388542872,0.816809524,0.113338833,0.587754648,0.575270947,0.439933463,5.562401302,4.874603154,11.54992231,0.725214286,1.602959058,4.13189166,0.511072912,0.295554712,0.836666098,0.103487074,0.486200156,0.372970563,0.254556903,4.938519284,3.483947959,9.046589508,0.754999147,1.113727622,4.543222328,0.676121256,0.432736795,0.803814175,0.119623433,0.587777778,0.665057685,0.545703517,5.652080379,5.3303712,12.31171913,0.705721263,1.798538979,4.584231458,0.63158173,0.394299279,0.817137176,0.112579157,0.598384204,0.578936201,0.453065581,5.610112467,4.951908214,11.70364202,0.725705764,1.630385987 +UMLYSI0392,L,butanal,CCCC=O,saturated aldehyde,C4H8O,123-72-8,261,PubChem,,17.6,0,-0.3943,0.15547249,19.6534,13.176344,0,0,13,5,8,0,4,0,1,0,0,0,0,0,0,0,841.152997,721.813056,647.184599,477.731566,280.974837,51.429168,0,0,0,2159.128339,2491.173138,2764.035055,2181.171529,1174.373184,339.2921252,0,0,0,97.261492,89.596488,153.589988,174.07936,111.19446,48.568896,0,0,0,15.35570724,18.61439448,23.03750423,19.44148531,10.41995645,2.938142673,0,0,0,2171.969926,1758.706778,3354.17515,4094.498444,2615.543289,1110.305786,0,0,0,69.5,36.25,48.5,54.5,44,24,0,0,0,64.70407669,60.151088,30.81831424,19.90548192,18.7316558,8.571528,0,0,0,166.0867953,207.5977615,131.6207169,90.88214705,78.29154562,56.54868753,0,0,0,7.481653231,7.466374,7.313808952,7.253306667,7.412964,8.094816,0,0,0,1.181208249,1.55119954,1.097024011,0.810061888,0.694663763,0.489690445,0,0,0,167.0746097,146.5588982,159.7226262,170.6041018,174.3695526,185.0509644,0,0,0,5.346153846,3.020833333,2.30952381,2.270833333,2.933333333,4,0,0,0,0.12886588,-0.027363391,-0.036560125,-0.002031239,0.015272333,-0.013750518,0,0,0,441.1976548,-41.78727394,-145.3737315,26.9552955,20.1271245,-80.52024197,0,0,0,616.1115392,-93.79664945,-272.4806931,17.56672315,16.65681334,23.99803644,0,0,0,1.006116923,-6.21E-04,-0.051224876,-0.042770935,-0.097167527,-0.311273964,0,0,0,2.72042466,-0.468030278,-1.24149596,-0.065009217,-0.067122288,0.481445413,0,0,0,15.16770937,-2.625121323,-6.796471683,-0.631475939,-0.665472604,3.134686867,0,0,0,32.26923077,1.232248521,-2.204142012,-2.843195266,-2.733727811,-9.585798817,0,0,0,0.00991276,-0.002280283,-0.001740958,-8.46E-05,0.001018156,-0.002291753,0,0,0,33.93828114,-3.482272828,-6.922558642,1.123137313,1.3418083,-13.42004033,0,0,0,47.39319532,-7.816387454,-12.9752711,0.731946798,1.110454223,3.99967274,0,0,0,0.077393609,-5.18E-05,-0.00243928,-0.001782122,-0.006477835,-0.051878994,0,0,0,0.209263435,-0.039002523,-0.059118855,-0.002708717,-0.004474819,0.080240902,0,0,0,1.166746874,-0.21876011,-0.323641509,-0.026311497,-0.04436484,0.522447811,0,0,0,2.482248521,0.102687377,-0.104959143,-0.118466469,-0.182248521,-1.597633136,0,0,0,-0.230035083,-0.175628014,-0.008537981,0.10271161,-0.23119222,0,0,0,-0.102606046,-0.203974934,0.033093524,0.039536719,-0.395424868,0,0,0,-0.164926366,-0.2737792,0.015444133,0.023430668,0.084393397,0,0,0,-6.69E-04,-0.031517845,-0.023026737,-0.083699871,-0.670326587,0,0,0,-0.18638002,-0.282509245,-0.012944055,-0.021383665,0.383444447,0,0,0,-0.187495776,-0.277387937,-0.022551162,-0.038024392,0.447781625,0,0,0,0.041368693,-0.042283898,-0.047725467,-0.073420739,-0.643623361,0,0,0,0.901211815,0.808347309,0.770555293,1.064747066,2.624271952,0,0,0,1.115636275,1.096642491,0.8125,0.860955023,1.528091176,0,0,0,1.489558193,1.307474246,0.8125,0.715359333,0.406325421,0,0,0,0.504012991,0.635228641,0.8125,1.262285099,3.362961026,0,0,0,1.618280118,1.349452799,0.8125,0.708078129,0.020159646,0,0,0,1.624974654,1.340485332,0.8125,0.723310396,7.60E-05,0,0,0,0.472586412,0.644134173,0.830899881,1.251966627,3.346841478,0,0,0,14.286287,7.2681435,12.07359723,14.436287,2.8872574,7.269948304,0.25,0.110733961,0.022146792,-1.100312353,15.1768519,3.03537038,1.359885683,14.28790616,7.26858587,12.07439068,14.43746551,2.887493102,7.2703895,0.249265579,0.110688802,0.02213776,-1.100516301,15.18094005,3.03618801,1.360020349,15.71815621,7.659580866,12.83547757,15.47875952,3.095751905,7.660648632,-0.398994478,0.068330999,0.0136662,-1.341695878,23.99541276,4.799082552,1.588931339,14.28960548,7.269050141,12.07522356,14.43870236,2.887740472,7.270852539,0.2484948,0.110641399,0.02212828,-1.100730472,15.1852365,3.0370473,1.360161837,17.22766961,8.072687673,13.78482179,16.57829305,3.31565861,8.073347242,-1.082294264,0.021590711,0.004318142,-1.917746053,23.12054367,4.624108735,1.570360779,14.45576686,7.314450524,12.15742456,14.55964737,2.911929475,7.316137843,0.173134186,0.105967319,0.021193464,-1.122312274,15.63662227,3.127324453,1.374807872,15.79149659,7.90617114,13.28046271,15.92482992,3.184965985,7.907305581,0.666666667,0.151972843,0.030394569,-0.942026718,11.40313259,2.280626517,1.216944053,0,11.98878797,16.00592415,-0.389461831,0.206313717,3.288229331,5.904765902,4,12,11,11,3,1,1,0,0,1,9.703656,3.424460978,2.885465255,2.063504084,1.332142787,0.495496452,0.083923071,0.083923071,0.083923071,1.801920698,1.34530875,0.833966128,0.552152723,0.083923071,0.083923071,0.083923071,0.083923071,3.397792168,2.81980573,2.038604701,1.404854513,0.412465668,0.270913902,0.270913902,0.270913902,1.754938435,1.314018074,0.77690394,0.429207619,0.270913902,0.270913902,0.270913902,0.270913902,3.558535241,3.067511397,2.388875988,1.86045646,1.06023362,0.943918427,0.943918427,0.943918427,1.546545139,1.013208562,0.359083471,0.089560954,0.943918427,0.943918427,0.943918427,0.943918427,3.407235712,2.818821363,2.05674666,1.470911287,0.424103116,0.399277246,0.399277246,0.399277246,1.728819134,1.296541345,0.734506888,0.340602267,0.399277246,0.399277246,0.399277246,0.399277246,3.607435489,3.123377273,2.494809368,2.039227318,1.208173581,1.207644823,1.207644823,1.207644823,1.494037178,0.951000612,0.252874302,0.264854428,1.207644823,1.207644823,1.207644823,1.207644823,4.752495101,3.26835056,2.498178656,1.708935387,1.262648301,0.571428571,0.571428571,0.571428571,1.650951935,1.01562766,0.423178307,0.115135818,0.571428571,0.571428571,0.571428571,0.571428571,0,0,1,0,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,3.399812122,1.851057332,0.955341801,0.406526265,0.11785113,0,0,0,0.679962424,0.462764333,0.318447267,0.203263132,0.11785113,0,0,0,6.88211032,12.8820102,12.25098039,12.44,7.674457485,100.2675413,0.529393102,0.990923861,0.942383107,0.956923077,0.590342883,7.712887794,0.9854,20.972,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,3,1,0,1,0,0,0,0,0,0,0,0,1,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.404861111,0.930555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.594097222,0,0,0.972916667,0.401388889,0,0.594097222,0,0,0,0,0,0,0,0,1.980555556,0,1.684027778,0,0.930555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.404861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.404861111,0.930555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.594097222,0,0,0.265625,0.401388889,0,0.594097222,0,0,0,0,0,0,0,0,1.980555556,0,0.708333333,0,0.930555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.404861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.404861111,0.930555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.594097222,0,0,0.401388889,0.401388889,0,0.594097222,0,0,0,0,0,0,0,0,1.980555556,0,0.975694444,0,0.930555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.404861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,2.8,0.732986111,9.404861111,0.265625,0.708333333,1.927856944,1.069444444,2.404861111,4.809722222,1.069444444,2.404861111,4.809722222,2.33333,0.46667,0,0.03333,0.51282,0.85333,0.41765,0.51282,0.85333,0.09517,0,-0.09517,0,0.54687,0.16742,0,0.35714,0,0,3.75,0.75,2.25,0.45,1.5,0.3,-0.75,-0.15,0,0,2.64222,0.52844,4.09272,1.45051,0.2901,1.67274,0.33455,2.41421,0.74147,0.14829,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4.01,1,1,1,1,0,0,0.75,1.238901257,2.188787068,2.87314068,3.026986833,2.457688415,1.057485468,16.10571634,28.45423188,37.35082883,39.35082883,31.9499494,13.74731109,0.334798389,0.591493778,0.776432235,0.818007335,0.664161181,0.285772921,2.461538462,1.51165265,0.827299039,0.673452885,1.242751303,2.64295425,0.334798389,0.591493778,0.776432235,0.818007335,0.664161181,0.285772921,11.26589917,18.98763324,17.9862381,19.83239194,13.00081093,5.331823524,18.28260559,12.75966659,14.08943077,12.51979411,9.104003599,4.026404032,5,4,4,5,1,4,1.79,0.6879,0,1.650963624,0,0,2.381101578,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.423,0.415,0.622,0.171,2.413,3,2,1,0,0,0,0,0,0,15,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,0,0,2.995732274,1.266666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.5,3,0.75,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,17.07,83.8941652,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,72.05751488,5.54288576,8.849873734,1.769974747,2.362436867,2.362436867,0,20,2,1.156,14,1.22225,2.118266204,2.850180845,3.537636739,4.907256486,0,0,0,0,0,83.08822345,72.7389998,68.02669744,85.5767881,44.6736643,0,0,0,0,0,276.3692965,297.5688301,280.8024603,317.8598759,286.2989562,0,0,0,0,0,9.153614798,15.55692744,20.77505492,26.69633542,40.19897088,0,0,0,0,0,2.01969673,2.433038618,2.414350253,2.660159399,2.418614276,0,0,0,0,0,177.1825165,335.0308773,483.6531092,608.3611173,908.1386145,0,0,0,0,0,3.751395833,5.061243825,6.809975673,11.93374162,20.66575033,0,0,0,0,0,0.439915625,0.548378874,0.572497756,0.691376882,0.771448026,0,0,0,0,0,231.068623,96.4274996,10.30373787,87.61766102,-36.56382188,-18.07752159,143.450962,132.9913215,28.38125946,0.725066106,0.302578129,0.032331915,0.274933894,-0.114732964,-0.056725132,73.63840081,30.73012152,3.283659932,27.92254681,-11.65238852,-5.76105818,0.286775314,0.725697507,7.774116716,38.06868969,266.2282153,52.45806869,0.835392763,0.164607237,318.975172,17.85987604,6.832594181,396.4714607,19.91159111,7.34633356,432.8803636,20.80577717,7.564657948,1.99856202,1.923322083,244.8030095,232.2772799,22.55504429,1.053925763,10.85358142,10.29824091,3.078161862,3.220194404,5.498947764,0.707644656,2.244419464,2.889227102,2.049849483,7.616421455,4.148151463,0.396552162,1.034074791,2.787775234,0.103319115,1.999778572,2.50E-11,6.03E-44,2.80E-98,2.51E-174,4.35E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.204852337,2.889147616,0.181073799,2.252403689,0.03078774,0.465075184,0.109585534,0.119411868,0.133666411,0.22355117,2.79E-12,6.74E-45,3.13E-99,2.81E-175,4.86E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.613910393,2.889035324,0.43308496,2.585247215,0.308194836,0.253063615,0.284002753,0.46077204,0.072162113,0.38725515,4.84E-12,1.17E-44,5.43E-99,4.87E-175,8.42E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.12365973,2.889276789,2.227413899,7.160022287,3.69759062,0.506730035,1.02200581,2.552886768,0.137240692,2.511796119,3.14E-11,7.57E-44,3.52E-98,3.16E-174,5.46E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.897215541,2.889001552,0.55888114,3.046534421,0.665629269,0.175389589,0.395406582,0.755373631,0.048682248,0.383454968,4.79E-12,1.16E-44,5.37E-99,4.82E-175,8.34E-273,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.710484556,2.889335128,2.781956134,9.956530472,6.045242296,0.491236201,1.280851902,3.740670417,0.125767161,2.920694263,3.65E-11,8.80E-44,4.09E-98,3.67E-174,6.35E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.335385552,2.598600446,2.770479172,4.697426381,1.36161318,1.211661453,0.922915053,1.335770085,0.46490178,4.570922451,5.71E-11,1.38E-43,6.41E-98,5.75E-174,9.94E-272,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.754114792,0.731008021,0.382747858,0.712049349,0.188994949,0.496566881,0.556627801,0.461522569,3.86787067,3.347203293,7.98565257,0.568074023,1.51471725,3.67739437,0.244310123,0.069556741,0.921361483,0.061211258,0.895170508,0.053885709,0.015242137,3.991261234,1.171205654,5.224958381,0.882042225,0.964298354,2.850026662,0.449539679,0.195869034,0.815356703,0.128607635,0.532702592,0.198323835,0.120864559,3.495435375,1.927482943,5.673865738,0.723035054,0.851890985,2.940058644,0.704969385,0.364591842,0.733251216,0.175819506,0.565914474,0.504905531,0.418775533,4.009619871,3.401598817,8.166890455,0.599876823,1.489595538,2.576031312,0.544874722,0.258870759,0.762189774,0.161216185,0.434376616,0.304864122,0.211121956,3.379776793,2.21152566,5.954657164,0.643284662,0.950362694,2.799174907,0.763155361,0.404081036,0.705719779,0.192404494,0.512957976,0.607117667,0.514404009,3.966411304,3.575675443,8.405286813,0.558579668,1.634479653,2.970392069,0.703039596,0.363742447,0.735760209,0.17414151,0.577673613,0.501434757,0.41682655,4.037174112,3.424486263,8.221264906,0.603640314,1.49593492 +UMLYSI0393,L,2-butanone,CCC(=O)C,saturated alkanone,C4H8O,78-93-3,6569,PubChem,,17.2,0,-0.1678,0.02815684,21.2183,13.176344,0,0,13,5,8,0,4,0,1,0,0,0,0,0,0,0,841.152997,721.813056,801.039548,520.016158,127.119888,9.144576,0,0,0,2159.128339,2491.173138,2817.445182,2240.709955,1120.963057,279.7536999,0,0,0,97.261492,89.596488,153.354368,162.18208,111.43008,60.466176,0,0,0,15.35570724,18.61439448,22.50421343,18.37811184,10.95324725,4.001516144,0,0,0,2171.969926,1758.706778,3385.92441,3540.545362,2583.794029,1664.258868,0,0,0,70.02777778,35.5,54.66666667,72.5,39,9,0,0,0,64.70407669,60.151088,38.14474038,24.76267419,8.4746592,1.016064,0,0,0,166.0867953,207.5977615,134.1640563,106.700474,74.73087045,31.08374443,0,0,0,7.481653231,7.466374,7.302588952,7.72295619,7.428672,6.718464,0,0,0,1.181208249,1.55119954,1.071629211,0.875148183,0.730216483,0.444612905,0,0,0,167.0746097,146.5588982,161.2344957,168.5973982,172.2529352,184.917652,0,0,0,5.386752137,2.958333333,2.603174603,3.452380952,2.6,1,0,0,0,0.116734907,-0.043719365,0.016018701,-0.016640793,-0.020549681,0.006523684,0,0,0,441.1976548,-41.78727394,69.51147299,-238.9624972,-194.75808,185.3975508,0,0,0,616.1115392,-93.79664945,-55.60441254,-213.0974229,-200.2194672,254.6621825,0,0,0,1.006116923,-6.21E-04,0.13220097,-0.503992568,-0.280593373,0.149947669,0,0,0,2.72042466,-0.468030278,-0.785752447,-0.499870012,-0.522865801,0.916306209,0,0,0,15.16770937,-2.625121323,-5.163715131,-2.13547618,-2.298229156,4.638687108,0,0,0,32.23076923,-1.225838264,4.037475345,-13.93688363,-9.464990138,4.474852071,0,0,0,0.008979608,-0.00364328,7.63E-04,-7.92E-04,-0.001369979,7.25E-04,0,0,0,33.93828114,-3.482272828,3.310070142,-11.37916654,-12.983872,20.59972786,0,0,0,47.39319532,-7.816387454,-2.647829169,-10.14749633,-13.34796448,28.29579805,0,0,0,0.077393609,-5.18E-05,0.006295284,-0.023999646,-0.018706225,0.016660852,0,0,0,0.209263435,-0.039002523,-0.037416783,-0.023803334,-0.03485772,0.101811801,0,0,0,1.166746874,-0.21876011,-0.245891197,-0.101689342,-0.153215277,0.515409679,0,0,0,2.479289941,-0.102153189,0.192260731,-0.663661125,-0.630999343,0.497205786,0,0,0,-0.405728217,0.084947504,-0.088246468,-0.152565536,0.080722209,0,0,0,-0.102606046,0.09753205,-0.335290007,-0.382573058,0.606976169,0,0,0,-0.164926366,-0.055869395,-0.214112939,-0.281643058,0.597043476,0,0,0,-6.69E-04,0.081341138,-0.31009855,-0.241702448,0.215274261,0,0,0,-0.18638002,-0.178802298,-0.113748175,-0.166573391,0.486524561,0,0,0,-0.187495776,-0.210749394,-0.087156301,-0.131318352,0.441749355,0,0,0,-0.041202599,0.077546691,-0.267681934,-0.254508088,0.200543622,0,0,0,1.062215437,0.681919935,1.593286668,1.163224051,0.002857259,0,0,0,1.115636275,0.804607552,1.365168907,1.269803936,0,0,0,0,1.489558193,1.075951506,1.044664406,1.03949117,0,0,0,0,0.504012991,0.535606025,1.889417436,1.401756762,0,0,0,0,1.618280118,1.215260987,0.934331327,0.895946666,0,0,0,0,1.624974654,1.239232173,0.928593153,0.86506482,0,0,0,0,0.548130469,0.537049665,1.853449256,1.414797136,0,0,0,0,12.77619957,6.513099786,10.22505772,12.92619957,2.585239914,6.516774527,0.25,0.1306296,0.02612592,-1.01769472,11.90914351,2.381828702,1.238653234,12.77777588,6.513520731,10.22558559,12.92733523,2.585467046,6.517193046,0.249265579,0.13061915,0.02612383,-1.017734719,11.90897455,2.38179491,1.23864614,14.1751531,6.888079312,10.73747523,13.93575642,2.787151283,6.890260255,-0.398994478,0.11840198,0.023680396,-1.066834918,12.03449998,2.406899996,1.243888762,12.77943025,6.513962525,10.22613968,12.92852713,2.585705426,6.517632296,0.2484948,0.130608178,0.026121636,-1.017776721,11.90879763,2.381759525,1.238638712,15.6579477,7.287826716,11.45798465,15.00857114,3.001714227,7.289195865,-1.082294264,0.090476734,0.018095347,-1.201331272,14.22786058,2.845572117,1.327601028,12.94127396,6.557204073,10.28080082,13.04515447,2.609030894,6.560636876,0.173134186,0.129509581,0.025901916,-1.022000209,11.89363693,2.378727385,1.238001773,13.76630139,7.005248527,11.2898956,13.9028887,2.780577739,7.007901847,0.682936508,0.169182504,0.033836501,-0.888388621,10.79525804,2.159051608,1.189553484,0,11.89,15.99491564,-0.299501627,0.190864822,3.800872342,5.916761187,4,12,11,11,3,1,1,0,0,1,9.703656,3.481460676,2.739456945,2.081809984,1.560661502,0.083923071,0.083923071,0.083923071,0.083923071,1.77759456,1.418816429,0.878342149,0.204837785,0.083923071,0.083923071,0.083923071,0.083923071,3.424539498,2.758788548,2.026000513,1.518530057,0.270913902,0.270913902,0.270913902,0.270913902,1.750226965,1.333860063,0.784330887,0.33189989,0.270913902,0.270913902,0.270913902,0.270913902,3.585319586,3.000262615,2.389565097,1.968602082,0.943918427,0.943918427,0.943918427,0.943918427,1.545897766,1.020838251,0.365028945,0.150433645,0.943918427,0.943918427,0.943918427,0.943918427,3.421895474,2.788547393,2.048278811,1.516985726,0.399277246,0.399277246,0.399277246,0.399277246,1.73687986,1.279168899,0.733906404,0.347680984,0.399277246,0.399277246,0.399277246,0.399277246,3.619308344,3.097070159,2.492306145,2.06826822,1.207644823,1.207644823,1.207644823,1.207644823,1.506092443,0.926061839,0.24808145,0.235603407,1.207644823,1.207644823,1.207644823,1.207644823,4.661176504,3.108505558,2.737414498,1.92553455,0.558139535,0.558139535,0.558139535,0.558139535,1.593937563,1.117178388,0.546550171,0.40643036,0.558139535,0.558139535,0.558139535,0.558139535,0,0,0,1,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.144337567,0,0,0,0.40824829,0,0,0.144337567,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.615355072,1.764784317,1.055568494,0.497890958,0,0,0,0,0.723071014,0.441196079,0.263892123,0.248945479,0,0,0,0,6.88211032,12.8820102,12.25098039,12.44,7.674457485,100.2675413,0.529393102,0.990923861,0.942383107,0.956923077,0.590342883,7.712887794,0.9854,20.972,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.707291667,0.802777778,0,0,0,0,0,0,0,0,0,0,3.43287037,0,0.666666667,0,0,0,0,0,0,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.305902778,0.401388889,0,0,0,0,0,0,0,0,0,0,1.583333333,0,0.666666667,0,0,0,0,0,0,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0.401388889,0,0,0,0,0,0,0,0,0,0,1.849537037,0,0.666666667,0,0,0,0,0,0,0.25462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.8125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.16666667,2.833333333,0.644097222,9.8125,0.305902778,0.25462963,1.768430556,1.412037037,2.8125,5.625,1.412037037,2.8125,5.625,2.33333,0.46667,0,0.03333,0.51282,0.85333,0.41765,0.51282,0.85333,0.09517,0,-0.09517,0,0.54687,0.16742,0,0.57143,0.21429,0,3.75,0.75,2.25,0.45,1.5,0.3,-0.75,-0.15,0,0,2.86751,0.5735,4.43249,1.56498,0.313,1.52767,0.30553,2.27005,0.74238,0.14848,0.14395,0.02879,0.14395,0.02879,0,4.01,1,1,1,1,0,0,0.75,1.238901257,1.854285872,2.81507241,2.81507241,2.091927838,0.514835639,16.10571634,24.10571634,36.59594133,36.59594133,27.1950619,6.692863305,0.334798389,0.501098792,0.760739973,0.760739973,0.565318718,0.139128233,2.461538462,1.846153846,0.885367308,0.885367308,1.60851188,3.185604079,0.334798389,0.501098792,0.760739973,0.760739973,0.565318718,0.139128233,11.26589917,18.65051456,19.61881928,19.61881928,10.94108442,0.518864244,18.28260559,12.5570933,12.86880152,12.86880152,11.02264767,3.089013833,5,2.25,4,5,1,4,1.79,0.6879,0.333333333,1.414213562,1.414213562,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,2.39,4,2,0,0,0,0,0,0,0,15,1.791759469,1.945910149,1.386294361,0,0,0,0,0,0,0,2.995732274,1.266666667,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,3,0.75,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,17.07,83.8941652,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,72.05751488,5.54288576,8.696801932,1.739360386,2.31305253,2.31305253,0,18,2,0.438,16,1.221083333,2.099772918,2.904872235,3.603141743,4.74351686,0,0,0,0,0,82.91991531,91.01101631,76.55742057,31.70819485,4.819716715,0,0,0,0,0,275.8751935,306.311941,326.4894081,286.2616583,147.4462658,0,0,0,0,0,9.14481753,15.46361024,22.47891371,26.52321,31.86914726,0,0,0,0,0,2.016443013,2.382180892,2.648824038,2.807975132,2.10902881,0,0,0,0,0,177.0345897,334.647534,487.0357992,611.6549473,877.1600002,0,0,0,0,0,3.679986111,5.863484892,10.10492466,8.874376746,4.74351686,0,0,0,0,0,0.439259375,0.551531963,0.656330969,0.666619237,0.485736127,0,0,0,0,0,331.5235352,120.5879334,8.305458331,122.7092591,-44.63410408,-18.67389915,208.814276,165.2220375,26.97935748,0.729853809,0.265476062,0.018284585,0.270146191,-0.098262619,-0.041110856,150.5888618,54.77499397,3.772611546,55.73856967,-20.27427382,-8.482297392,0.355480766,0.823365415,2.280595705,41.24593298,404.1384714,50.09432293,0.889716631,0.110283369,320.13246,17.89224581,6.840847421,397.6287486,19.9406306,7.353474524,470.7611015,21.69702978,7.779174677,1.43651594,1.283100829,177.1355082,134.5796116,52.62682671,1.316213549,3.365878569,2.557243519,3.066871681,3.18658557,5.271540682,0.654291268,2.244419464,2.932703488,2.207360848,4.226063592,2.385408512,1.056015733,1.193109647,4.906929998,1.465077131,0.010821517,1.80E-23,5.77E-66,3.57E-130,4.26E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.204852337,2.932605608,0.181229695,2.21010592,0.10907198,0.110377275,0.210262273,0.316762492,0.010318658,7.62E-05,1.27E-25,4.06E-68,2.51E-132,3.00E-218,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.613910393,2.932494545,0.461673028,2.145306197,0.304568405,0.197894696,0.408314574,1.085173912,0.107528372,7.94E-04,1.32E-24,4.23E-67,2.62E-131,3.12E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.12365973,2.932751156,2.328760228,4.219365685,2.400525241,1.295298803,1.132032032,4.566299496,1.305357347,0.009641777,1.60E-23,5.14E-66,3.18E-130,3.79E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.897215541,2.932462367,0.61954906,2.251840068,0.45538232,0.204490751,0.545033703,1.662707166,0.233565993,0.001725191,2.87E-24,9.20E-67,5.69E-131,6.79E-217,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.710484556,2.932820006,2.969799732,5.153673586,3.426321908,1.537066458,1.420283987,6.235829705,2.136677305,0.015782165,2.62E-23,8.41E-66,5.20E-130,6.21E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.351274107,2.689716864,2.472765171,4.372262362,2.154264068,2.141250433,0.813375032,2.67209786,0.456400447,0.003371116,5.60E-24,1.80E-66,1.11E-130,1.33E-216,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.027551607,0.722277129,0.384336023,0.732324855,0.174709324,0.604534484,0.417786721,0.4615227,4.134164759,3.627925547,8.602529912,0.598487282,1.483843905,1.815366938,0.78205338,0.069845358,0.680609717,0.293204155,0.224879182,0.424963504,0.015242141,2.667265676,1.601131602,4.3675577,0.520914576,0.665084828,2.406592006,0.610115198,0.196681769,0.748926453,0.189866587,0.382640339,0.290662255,0.120864593,3.213388973,2.061629668,5.56380616,0.62338968,0.794167186,2.921986843,0.774761263,0.366104671,0.719195847,0.190693905,0.563154987,0.478054161,0.418775651,4.062852777,3.617238968,8.508894956,0.57879377,1.459984799,2.676125482,0.563137637,0.259944912,0.764780333,0.160932883,0.472423041,0.251879722,0.211122016,3.499208031,2.349056945,6.240008971,0.647170499,0.935424779,3.084448587,0.754783018,0.405757721,0.726609268,0.177805634,0.627475109,0.456679776,0.514404156,4.244989327,3.885887282,9.075516864,0.589913902,1.598559041,2.9230684,0.779276526,0.365313768,0.718612013,0.191578641,0.563573536,0.483600161,0.416968227,4.067658693,3.630396161,8.530195264,0.577918019,1.464141924 +UMLYSI0394,L,diethyl ether,CCOCC,saturated ethers,C4H10O,60-29-7,3283,PubChem,,16.8,0,0.5513,0.30393169,21.6001,14.50993,0,0,15,5,10,0,4,0,1,0,0,0,0,0,0,0,843.185125,793.9271,722.299459,445.911314,269.399257,84.835296,9.144576,0,0,2221.295828,2599.858971,2753.066548,2171.066986,1695.218043,1061.424631,279.7536999,0,0,110.69842,106.32512,190.416988,181.000136,105.590692,123.32736,60.466176,0,0,16.24493305,19.3919231,22.29899828,18.57594001,15.70279472,12.01662072,4.001516144,0,0,2541.80523,2091.500846,4184.784813,4196.196387,2397.690441,3137.747111,1664.258868,0,0,34.75,34.5,55.25,45,25,24,9,0,0,56.21234167,56.70907857,28.89197836,18.57963808,17.95995047,4.713072,1.016064,0,0,148.0863886,185.7042122,110.1226619,90.46112441,113.0145362,58.96803508,31.08374443,0,0,7.379894667,7.594651429,7.61667952,7.541672333,7.039379467,6.85152,6.718464,0,0,1.082995537,1.385137364,0.891959931,0.773997501,1.046852981,0.66759004,0.444612905,0,0,169.453682,149.3929176,167.3913925,174.8415161,159.8460294,174.3192839,184.917652,0,0,2.316666667,2.464285714,2.21,1.875,1.666666667,1.333333333,1,0,0,0.169062121,-0.033803134,-0.044275578,-0.034578453,0.011682181,0.01069259,0.005751333,0,0,476.9038497,-21.78432588,-121.9598638,-86.57448171,-166.2117309,18.82431712,139.2541604,0,0,665.1575892,-169.0438689,-190.4952259,154.2819615,-286.1313844,-32.46987161,191.2795949,0,0,1.034995733,0.036481849,-0.290333156,-0.502862507,0.004698667,0.12188992,0.11262736,0,0,2.896898448,-1.158801944,-0.918747703,1.404458489,-1.17556629,-0.28803955,0.688247774,0,0,16.06108614,-6.990238497,-5.240349928,8.659843477,-6.183583693,-1.760383858,3.484169428,0,0,6.733333333,-0.851111111,-0.555555556,-3.106666667,-0.283333333,0.22,1.21,0,0,0.011270808,-0.00241451,-0.001771023,-0.001440769,7.79E-04,5.94E-04,6.39E-04,0,0,31.79358998,-1.556023277,-4.878394553,-3.607270071,-11.08078206,1.045795396,15.47268448,0,0,44.34383928,-12.07456207,-7.619809038,6.428415061,-19.07542563,-1.803881756,21.25328832,0,0,0.068999716,0.002605846,-0.011613326,-0.020952604,3.13E-04,0.006771662,0.012514151,0,0,0.193126563,-0.082771567,-0.036749908,0.058519104,-0.078371086,-0.016002197,0.076471975,0,0,1.070739076,-0.49930275,-0.209613997,0.360826812,-0.412238913,-0.097799103,0.387129936,0,0,0.448888889,-0.060793651,-0.022222222,-0.129444444,-0.018888889,0.012222222,0.134444444,0,0,-0.214226837,-0.15713364,-0.127831907,0.069099933,0.052705427,0.056698422,0,0,-0.048941415,-0.153439563,-0.113459036,-0.348522519,0.032893278,0.486660503,0,0,-0.272294016,-0.171834671,0.14496749,-0.430170818,-0.040679422,0.479283902,0,0,0.037766045,-0.16830977,-0.303662186,0.004539793,0.098140437,0.181365257,0,0,-0.428587171,-0.190289246,0.303009087,-0.405801691,-0.082858603,0.395968186,0,0,-0.466315988,-0.195765712,0.336988553,-0.38500408,-0.091337942,0.361553944,0,0,-0.1354314,-0.04950495,-0.288366337,-0.042079208,0.027227723,0.29950495,0,0,1.19507339,1.715067307,1.756054072,0.111136202,0.087774951,0,0,0,1.302640332,1.257253085,1.120815693,1.184672149,0.592336075,0,0,0,1.744076533,1.117192315,0.614412826,1.579467202,0.789733601,0,0,0,0.911157379,1.730722033,1.933723592,0.106932486,0.053466243,0,0,0,1.997151618,1.125472688,0.416360228,1.621267278,0.810633639,0,0,0,2.04802765,1.146922292,0.397154807,1.588451677,0.794225838,0,0,0,1.150990099,1.455445545,1.689356436,0.381188119,0.346534653,0,0,0,14.02903191,7.139515956,11.44229159,14.17903191,2.835806382,7.141457869,0.25,4.44E-16,8.88E-17,-17.6752531,2000004.385,400000.877,7.254329966,14.03649244,7.142879008,11.44834582,14.18605178,2.837210357,7.144813748,0.249265579,2.22E-16,4.44E-17,-18.02182669,2000004.384,400000.8769,7.254329965,20.66552264,10.13326408,16.90257298,20.42612595,4.085225191,10.13334385,-0.398994478,3.33E-16,6.66E-17,-17.81909414,2000004.122,400000.8244,7.2543299,14.04432247,7.146408634,11.45470025,14.19341935,2.83868387,7.148335875,0.2484948,8.88E-16,1.78E-16,-17.32867951,2000004.384,400000.8768,7.254329965,27.70600649,13.31185611,22.75941062,27.05662993,5.411325986,13.31185917,-1.082294264,1.11E-16,2.22E-17,-18.36840028,2000004.056,400000.8113,7.254329883,14.81066828,7.491901232,12.07820325,14.91454879,2.982909758,7.493221273,0.173134186,1.11E-16,2.22E-17,-18.36840028,2000004.324,400000.8648,7.25432995,12.57323739,6.494952027,10.16161869,12.82323739,2.564647477,6.498881015,0.416666667,5.55E-16,1.11E-16,-17.56368133,2000004.472,400000.8944,7.254329987,0,11.89,15.99491564,-0.381188045,0.119459794,4.559545342,5.29994391,4,14,14,14,4,0,0,0,0,0,12.84807,3.329350336,2.902564078,2.095016805,1.598026915,0.716238902,0.083923071,0.083923071,0.083923071,1.717221983,1.563026335,0.923508946,0.769718516,0.083923071,0.083923071,0.083923071,0.083923071,3.256161194,2.950308951,2.050051242,1.695309721,0.498135234,0.270913902,0.270913902,0.270913902,1.697447075,1.473453684,0.850273688,0.630337185,0.270913902,0.270913902,0.270913902,0.270913902,3.483871313,3.155598408,2.433497707,2.090117344,1.135422874,0.943918427,0.943918427,0.943918427,1.427958164,1.195492746,0.406334094,0.162386152,0.943918427,0.943918427,0.943918427,0.943918427,3.253516771,2.985267979,2.071087792,1.765276817,0.439982288,0.399277246,0.399277246,0.399277246,1.685350472,1.415133181,0.800442367,0.536857124,0.399277246,0.399277246,0.399277246,0.399277246,3.530237377,3.252217518,2.546796745,2.26277616,1.208515409,1.207644823,1.207644823,1.207644823,1.373997719,1.104407163,0.286876091,0.004703131,1.207644823,1.207644823,1.207644823,1.207644823,3.543902836,3.061422362,2.463256053,1.838196629,1.21332483,0.571428571,0.571428571,0.571428571,1.506026633,1.325313653,0.571599943,0.431448195,0.571428571,0.571428571,0.571428571,0.571428571,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,3.822461853,1.991563832,0.781474414,0.40824829,0.204124145,0,0,0,0.764492371,0.497890958,0.260491471,0.204124145,0.204124145,0,0,0,7.423938123,14.76984705,13.97647059,14.2,8.473011976,116.5531018,0.494929208,0.98465647,0.931764706,0.946666667,0.564867465,7.770206786,1.0428,22.167,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.522222222,0,0,0,0,0,0,0,0,0,0,0,3.979166667,0,1.6875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,1.989583333,0,0.84375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.989583333,0,0.84375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.5,2.1,0.45,4.833333333,0.277777778,0.84375,2.532375,0.65625,1.333333333,2.666666667,0.65625,1.333333333,2.666666667,2.33333,0.46667,0,0.03333,0.48444,0.85333,0.41765,0.48444,0.85333,0.0668,0,-0.0668,0,0.54687,0.16742,0,0.42857,0,0,2.5,0.5,2.5,0.5,0,0,-2.5,-0.5,0,0,3.20423,0.64085,4.09272,0.88849,0.1777,1.86119,0.37224,2.41421,0.55302,0.1106,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4.01,1,1,1,1,0,0,1,1.158938532,1.425605199,2.072905595,2.072905595,1.812446222,1.42486081,17.38407799,21.38407799,31.09358393,31.09358393,27.18669333,21.37291214,0.296639618,0.364895091,0.530576822,0.530576822,0.463910155,0.364704558,2.747952063,2.481285397,1.833985,1.833985,2.094444373,2.482029786,0.304394667,0.374434543,0.544447691,0.544447691,0.476038158,0.374239029,10.66110191,13.86110191,14.51346745,14.51346745,10.34744202,5.696417063,18.1875248,15.2854749,16.59236895,16.59236895,14.50869397,9.857669016,5,4,4,5,0,2,1.79,0.7309,0.25,2.309401077,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.296,0.29,0.312,0.054,2.13,3,2,1,0,0,0,0,0,0,15,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,0,0,2.772588722,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.5,4,1,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,9.23,86.5306239,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,74.07316494,4.938210996,8.849873734,1.769974747,2.707106781,2.707106781,0,20,2,0.866,14,1.212857143,2.057611983,2.773293248,3.639429888,4.594067894,5.458298847,0,0,0,0,79.50058765,65.64067038,61.04850883,78.23780585,23.52604701,5.54598096,0,0,0,0,243.9931819,239.786508,274.4605619,458.9151798,285.0366544,169.6643664,0,0,0,0,9.308761902,15.7712002,20.99476728,25.77092178,31.54378913,36.67138431,0,0,0,0,1.760303352,1.904382137,2.275666251,4.133531239,3.179972688,2.426830106,0,0,0,0,180.0317327,341.8123574,482.4800001,570.2026208,795.4627115,1009.335807,0,0,0,0,3.135214286,4.730213755,5.351369635,6.429272377,6.294377983,5.458298847,0,0,0,0,0.409321071,0.476250472,0.551267395,0.883138117,0.704395221,0.558929802,0,0,0,0,374.2019078,173.7462631,13.45989954,104.5972575,-48.56571347,-11.41779909,269.6046502,222.3119766,24.87769863,0.781542523,0.362879211,0.028111786,0.218457477,-0.101432327,-0.02384674,179.1675611,83.18956575,6.444588666,50.08107961,-23.25322307,-5.466832674,0.120676625,0.820954594,2.664274897,17.09067385,457.9811152,20.81805006,0.956520287,0.043479713,319.5229361,17.8752045,6.836503064,416.3932969,20.40571726,7.467374113,445.6111791,21.10950447,7.638100337,1.867406768,1.867406768,233.2848864,218.8818069,27.80324265,1.065803,8.390563984,7.872528025,3.087839612,3.096569067,6.184431767,0.997188383,2.789005726,2.662636715,4.43985544,4.140717275,5.548591787,0.801028153,2.117896645,2.892728687,0.0287614,1.352786895,0.921963247,9.47E-05,2.59E-29,1.37E-75,1.40E-143,2.75E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234062164,2.91659231,0.425916737,0.699209861,0.203966708,0.776676187,0.087195846,0.18088438,5.62E-04,0.113391348,0.006493463,6.67E-07,1.83E-31,9.65E-78,9.84E-146,1.93E-235,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.755580509,2.444129632,0.85508459,1.235910562,0.596538006,0.781646908,0.341140904,0.610966829,0.002446114,0.366132474,0.067666886,6.95E-06,1.90E-30,1.01E-76,1.02E-144,2.01E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.632593971,2.915729848,5.174489182,4.034806961,5.518358655,0.79953745,1.936776278,2.683034477,0.025665344,1.276824987,0.821452654,8.43E-05,2.31E-29,1.22E-75,1.24E-143,2.45E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.11358654,2.264597057,0.981985162,1.655426178,0.935457002,0.785059133,0.563141079,0.942863605,0.004889318,0.539704355,0.146981519,1.51E-05,4.13E-30,2.18E-76,2.23E-144,4.38E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368128327,2.823011793,6.3054154,5.025669147,8.095409865,0.80654804,2.852998609,3.718723966,0.041779879,1.634138433,1.344596748,1.38E-04,3.78E-29,2.00E-75,2.04E-143,4.00E-233,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.639252561,3.170555623,4.223301128,2.56820564,3.096831745,0.77166105,0.995789957,1.598378676,0.009745909,0.882863644,0.301049224,3.09E-05,8.47E-30,4.47E-76,4.56E-144,8.96E-234,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.098926726,0.695675824,0.44320402,0.782565502,0.132818159,0.616310559,0.449080719,0.533312759,5.23780657,4.976511354,11.47812493,0.673848252,1.598704036,2.864703474,0.291435078,0.090407091,0.882385092,0.089767744,0.301036148,0.078812342,0.022191138,3.246545643,1.120212384,4.442236654,0.823577637,0.402039628,3.585748919,0.468329876,0.242600615,0.834539554,0.108998096,0.471649144,0.203523383,0.159793234,4.296679409,2.662835355,7.366917215,0.751809331,0.834965762,3.981231869,0.673953167,0.424867407,0.78369897,0.132666577,0.581425724,0.421473258,0.490096301,5.080052444,4.661000224,10.88104153,0.675548455,1.492995282,3.866213255,0.549756359,0.313279293,0.817511053,0.116246019,0.548315988,0.280447201,0.26646365,4.729248907,3.508907162,8.904023476,0.72626658,1.095226839,4.131306805,0.719467584,0.464455199,0.777258393,0.135359644,0.626086292,0.480322631,0.585682501,5.315229587,5.225308707,11.92105768,0.665887589,1.692091424,4.049256351,0.681768756,0.431269518,0.784390789,0.132066998,0.601464283,0.431305281,0.504977605,5.162294625,4.80100338,11.15388499,0.676586183,1.537747169 +UMLYSI0395,L,1-methoxy-2-propanol,CC(COC)O,other multi-oxygen compounds,C4H10O2,107-98-2,7900,PubChem,,16.4,0,-0.4996,0.24960016,23.8892,15.31193,0,0,16,6,10,0,4,0,2,0,0,0,0,0,0,0,1099.153126,990.110993,1065.751313,840.539503,466.637518,136.178784,12.192768,0,0,2437.686605,2869.865488,3382.783235,2998.060828,2041.671047,1142.44844,373.0049332,0,0,124.050136,118.71254,205.979996,213.475492,198.143488,98.39232,80.621568,0,0,16.88813705,20.15248678,24.82507273,24.01026107,18.27990857,10.73295284,5.335354858,0,0,2727.256516,2276.905904,4344.128303,4523.671115,4776.965067,2182.16362,2219.011824,0,0,70.27777778,47.25,73.66666667,90.66666667,53,35,12,0,0,68.69707037,66.00739953,40.99043512,31.1310927,17.28287104,10.47529108,1.016064,0,0,152.3554128,191.3243658,130.1070475,111.0392899,75.61744619,87.88064921,31.08374443,0,0,7.7531335,7.914169333,7.922307538,7.906499704,7.338647704,7.56864,6.718464,0,0,1.055508566,1.343499118,0.95481049,0.889268928,0.677033651,0.825611757,0.444612905,0,0,170.4535323,151.7937269,167.0818578,167.5433746,176.9246321,167.85874,184.917652,0,0,4.392361111,3.15,2.833333333,3.358024691,1.962962963,2.692307692,1,0,0,0.376557636,-0.13400945,-0.125534258,0.115393942,-0.042120192,-0.047379909,0.045371049,0,0,591.5296958,-33.68971264,-94.18501034,-299.025728,160.6331955,-286.1434692,256.6458767,0,0,684.3519461,-132.8669932,-19.58714515,-411.4525332,271.2046626,-336.763135,287.289171,0,0,1.881327,-0.171455562,-0.731828375,0.074530188,-0.114863813,-0.348964687,0.35191875,0,0,2.915623878,-0.947018605,-0.071122152,-1.258882026,1.016107295,-1.056872797,0.859976345,0,0,16.4472548,-5.851675569,-0.706562383,-5.742579896,5.099365324,-5.088048495,4.06587362,0,0,26.9375,-4.833767361,-4.578993056,-4.620225694,4.345052083,-8.786024306,5.005208333,0,0,0.023534852,-0.008933963,-0.004828241,0.00427385,-0.001560007,-0.003644608,0.003780921,0,0,36.97060598,-2.245980843,-3.622500398,-11.07502696,5.949377613,-22.01103609,21.38715639,0,0,42.77199663,-8.857799548,-0.753351737,-15.23898271,10.04461713,-25.90485654,23.94076425,0,0,0.117582937,-0.011430371,-0.028147245,0.002760377,-0.004254215,-0.026843437,0.029326562,0,0,0.182226492,-0.063134574,-0.002735467,-0.04662526,0.037633604,-0.081297907,0.071664695,0,0,1.027953425,-0.390111705,-0.027175476,-0.212688144,0.188865382,-0.391388346,0.338822802,0,0,1.68359375,-0.322251157,-0.176115118,-0.17111947,0.160927855,-0.675848024,0.417100694,0,0,-0.37960567,-0.205152794,0.181596624,-0.066284976,-0.154860048,0.160651985,0,0,-0.060750447,-0.097983257,-0.299563036,0.160921831,-0.595365845,0.578490826,0,0,-0.207093431,-0.0176132,-0.356284109,0.234840969,-0.605649925,0.559729873,0,0,-0.097211135,-0.239382055,0.023476002,-0.036180549,-0.228293646,0.249411718,0,0,-0.346462102,-0.015011359,-0.255864335,0.206521033,-0.446136598,0.393272649,0,0,-0.379503288,-0.026436486,-0.206904456,0.183729513,-0.380745213,0.329609099,0,0,-0.19140672,-0.104606659,-0.101639407,0.095585918,-0.401431773,0.247744264,0,0,1.305165807,1.343340944,1.012671453,0.878351597,0.986462144,0.13450151,0,0,1.151283362,1.15311575,1.322877485,0.657001159,1.484078207,0,0,0,1.616814285,1.013753387,1.313757577,0.514983302,1.539553379,0,0,0,1.013826942,1.445918431,1.162908474,0.801843002,1.088494369,0,0,0,1.94407303,1.031051782,1.232840871,0.462283838,1.404860851,0,0,0,2.002752272,1.059585815,1.201893312,0.463234576,1.342387059,0,0,0,1.115751482,1.066690463,1.515281716,0.436538627,1.756202035,0,0,0,18.61520414,9.557602071,14.83843293,18.94853748,3.158089579,9.557801166,0.5,0.019691277,0.00328188,-2.356547713,16.84843421,2.808072369,1.694554637,18.62543697,9.561984066,14.84529341,18.95779108,3.159631846,9.56218219,0.498531158,0.019890238,0.00331504,-2.350515743,16.85647398,2.809412331,1.694840877,27.76292827,13.48246966,21.20584481,27.23093563,4.538489272,13.48247255,-0.797988956,0.132787665,0.022131278,-1.211402357,32.56456393,5.427427321,2.089934821,18.6361768,9.5665832,14.85249475,18.9675032,3.161250533,9.56678031,0.4969896,0.020098812,0.003349802,-2.34425675,16.8649338,2.810822299,1.695141926,37.51596775,17.67568961,28.2230289,36.07290873,6.012151456,17.67568965,-2.164588529,0.183610092,0.030601682,-1.016964502,19.3751878,3.229197966,1.778395961,19.68817408,10.01722123,15.56240225,19.91901966,3.319836611,10.01734076,0.346268372,0.039363591,0.006560598,-1.940948387,17.81125219,2.968542032,1.727898242,17.86171513,9.435546304,15.23097936,18.50485584,3.084142639,9.435827332,1.098710317,0.05807372,0.009678953,-1.707625224,13.68804843,2.281341405,1.569913845,0,11.99646145,15.99825808,-0.40849893,0.075628815,4.2258828,6.147131121,5,15,15,15,5,0,0,0,0,0,12.84807,3.416688518,2.886082557,2.242761686,2.034567751,1.021539989,0.729203609,0.083923071,0.083923071,1.732512293,1.425569946,1.126110656,0.668865715,0.294112201,0.083923071,0.083923071,0.083923071,3.345218191,2.798766927,2.301538582,1.826023606,0.998762955,0.516713065,0.270913902,0.270913902,1.728057837,1.38565072,1.022342669,0.700078989,0.166725393,0.270913902,0.270913902,0.270913902,3.546895883,3.095782913,2.601907653,2.330901272,1.545926718,1.152124324,0.943918427,0.943918427,1.485216393,1.038874466,0.646213043,0.152978303,0.43066114,0.943918427,0.943918427,0.943918427,3.339707961,2.799352875,2.349701702,1.791273269,1.050035866,0.443640423,0.399277246,0.399277246,1.725186281,1.360681209,0.953126965,0.705546168,0.072306203,0.399277246,0.399277246,0.399277246,3.582691476,3.163539016,2.73097263,2.402658802,1.735516923,1.208594559,1.207644823,1.207644823,1.442734285,0.961310503,0.521725981,0.064098634,0.62289226,1.207644823,1.207644823,1.207644823,4.226692688,3.460816456,2.917485407,2.450108521,1.503858106,1.202203148,0.585365854,0.585365854,1.548107104,1.063368243,0.812442914,0.153889886,0.3044487,0.585365854,0.585365854,0.585365854,0,0,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.182574186,0,0,0,0.288675135,0.288675135,0,0.074535599,0.074535599,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.139918936,1.940720874,1.304363167,0.407868933,0.241202266,0,0,0,0.689986489,0.388144175,0.260872633,0.135956311,0.120601133,0,0,0,8.138737228,16.10050983,15.3254902,15.6,8.953251497,124.7076228,0.508671077,1.006281865,0.957843137,0.975,0.559578219,7.794226422,0.0136,23.5568,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,1,0,2,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.687777778,0,12.98060185,0,0,3.131617798,0,0,0,0,0,0,0,0.687777778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.495833333,0,0,0,0,0,0,0,0,0,0,0,3.24625,0,0.430555556,0,0,0,-0.324074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.427361111,0,4.553240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.687777778,0,4.553240741,0,0,3.131617798,0,0,0,0,0,0,0,0.687777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.373611111,0,0,0,0,0,0,0,0,0,0,0,1.562222222,0,0.430555556,0,0,0,-0.324074074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.427361111,0,4.553240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.687777778,0,8.427361111,0,0,3.131617798,0,0,0,0,0,0,0,0.687777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561111111,0,0,0,0,0,0,0,0,0,0,0,1.684027778,0,0.430555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.427361111,0,4.553240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.33333333,2.722222222,0.687777778,8.427361111,0.326388889,-0.324074074,1.472176296,1.657407407,2.427361111,6.961203704,1.657407407,2.427361111,6.961203704,2.66666,0.44444,0,0.05556,0.54583,0.95556,0.42,0.54583,0.86191,0.12583,0,-0.12583,0.09365,0.46511,0.24918,0,0.5,0.1875,0,3.25,0.54167,3.25,0.54167,0,0,-3.25,-0.54167,0,0,3.9041,0.65068,5.69868,1.79459,0.2991,1.91196,0.31866,2.77005,0.85809,0.14301,0.14395,0.02399,0.14395,0.02399,0,5.02,2,2,2,2,1,1,1,1.298794941,2.216917187,3.280639062,3.280639062,3.030639062,2.155639062,20.78071905,35.47067499,52.490225,52.490225,48.490225,34.490225,0.324698735,0.554229297,0.820159766,0.820159766,0.757659766,0.538909766,2.701205059,1.783082813,0.719360938,0.719360938,0.969360938,1.844360938,0.332436988,0.567437744,0.839705894,0.839705894,0.775716388,0.551753117,12.42520413,20.7199844,21.79202993,21.79202993,18.79202993,11.41536689,22.23794941,14.45225468,13.96691719,13.96691719,12.46691719,8.216917187,6,3.2,5.333333333,6,0,3,1.68,0.7896,0.25,1,1.154700538,0,0,1,0,0,0,0,0,0.333333333,0,0,0,0,0,0,0,0.259,0.614,0.621,0.528,0.233,2.68,5,3,2,0,0,0,0,0,0,21,1.791759469,1.791759469,1.386294361,1.098612289,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,29.46,95.32085061,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,90.06807956,5.629254973,10.67917749,1.779862916,4.994503513,4.994503513,0,32,3,-0.229,20,1.214066667,2.078918482,2.830636642,3.395658297,4.777571544,5.41771157,0,0,0,0,92.27590515,95.23507882,97.33623675,72.79041395,50.84954643,5.504741689,0,0,0,0,252.6590863,289.8797657,330.707742,295.1862982,430.0286512,168.4027619,0,0,0,0,9.692672523,16.5937112,22.50689528,25.33054019,36.0444323,36.39870015,0,0,0,0,1.719091882,2.079428065,2.584488446,2.506920018,4.046464414,2.408784479,0,0,0,0,182.6299865,344.4059125,472.9478394,594.2236395,796.8096779,1001.830503,0,0,0,0,3.955255556,6.197389312,9.72062959,7.351401418,12.6976491,5.41771157,0,0,0,0,0.42195044,0.539388809,0.667088671,0.6278411,0.971619233,0.554773665,0,0,0,0,385.4299599,311.5766842,25.64262847,110.1509634,-89.04463979,-22.24555525,275.2789965,400.621324,47.88818372,0.777733649,0.628710004,0.051742566,0.222266351,-0.179677295,-0.044887836,191.0117354,154.4114609,12.70799749,54.58871615,-44.1288248,-11.02447281,0.260041914,0.482959639,11.76418922,14.97826086,398.3389277,97.24199557,0.803781802,0.196218198,417.202835,20.42554369,7.472210254,522.4170918,22.8564453,8.05389183,647.298802,25.44206757,8.650374991,1.686043035,1.451957691,299.9786686,257.8310547,65.39006599,1.163469889,4.587526623,3.942969789,3.460647327,3.220194404,6.200953468,0.925645688,3.224442582,3.045361873,6.68318731,6.876807826,7.565487413,2.631462436,2.482603136,2.154436853,1.493169786,2.062256623,1.177021809,2.61E-04,3.74E-28,1.03E-73,5.48E-141,5.62E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290510412,3.426412634,0.619420166,2.352643957,0.330190296,0.484197569,1.176689675,0.185427357,0.015824993,0.161548859,0.008289861,1.84E-06,2.63E-30,7.26E-76,3.86E-143,3.96E-232,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.818353257,2.71771054,1.268712704,2.468755164,1.197976838,0.632669312,0.807667128,0.543154552,0.118740981,0.529091617,0.086386741,1.92E-05,2.74E-29,7.56E-75,4.02E-142,4.12E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.26656891,3.425014377,7.704114477,6.891773968,7.046483082,2.593364777,2.613081815,2.126837624,1.338923485,1.938668414,1.048705241,2.33E-04,3.33E-28,9.18E-74,4.88E-141,5.01E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.139201201,2.448401418,1.48340867,2.769674401,1.94048487,0.773608635,0.763683491,0.774315683,0.246730348,0.787464947,0.187643546,4.17E-05,5.96E-29,1.64E-74,8.73E-142,8.96E-231,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.074611588,3.285870707,9.476841222,8.781932729,10.28017571,3.651258509,3.310115018,2.704334488,2.169679374,2.528055261,1.71657569,3.81E-04,5.45E-28,1.50E-73,7.99E-141,8.20E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.029534373,4.172450561,6.939629199,6.744562711,3.803487556,1.775053732,4.204816283,1.750087632,0.555069725,1.361923959,0.403310269,8.95E-05,1.28E-28,3.53E-74,1.88E-141,1.93E-230,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.976429611,0.771669821,0.480208606,0.760557638,0.147594559,0.580608214,0.396786045,0.3787625,5.228308038,5.348568935,12.05039263,0.640836457,1.356156759,2.734667595,0.7122289,0.135509507,0.7633606,0.198813004,0.276137238,0.373259097,0.030582439,3.582406002,2.414796539,6.261135668,0.6450409,0.679978774,3.385919605,0.620945478,0.283674158,0.789159454,0.144724344,0.420172067,0.265679689,0.138676135,4.29053924,3.239115544,8.126071607,0.683739181,0.824527891,3.848846317,0.798916354,0.456531408,0.754040864,0.156518481,0.544549371,0.432750507,0.344999889,5.104294079,5.196755904,11.70484127,0.631061296,1.322299766,3.687056716,0.607709049,0.358325138,0.792388714,0.130603305,0.497924784,0.246152127,0.218692382,4.653090903,3.779580266,9.23555516,0.688583071,0.962769293,4.017333111,0.801598611,0.499200758,0.755402978,0.150729342,0.592944012,0.429196747,0.407607584,5.31813248,5.625903011,12.55160602,0.633104467,1.429748342,3.891475144,0.802886453,0.460415826,0.754925931,0.155755794,0.557011868,0.436639264,0.35011626,5.154777423,5.285771049,11.87907752,0.632388896,1.343767391 +UMLYSI0396,L,"2,2-dimethoxypropane",CC(C)(OC)OC,other multi-oxygen compounds,C5H12O2,77-76-9,6495,PubChem,,16.4,0,0.019,3.61E-04,28.7296,18.405516,0,0,19,7,12,0,5,0,2,0,0,0,0,0,0,0,1245.449375,1202.469254,1639.013568,1300.193422,540.740761,109.220832,9.144576,0,0,2923.370996,3434.791208,4251.365906,4660.529575,3949.031178,1807.434498,279.7536999,0,0,145.02758,140.628152,256.263168,249.295432,295.656868,284.570496,60.466176,0,0,20.56626286,24.29769172,29.59249263,33.61402755,36.7240875,22.68733043,4.001516144,0,0,3223.886176,2704.432598,5428.060438,4873.545974,6577.10003,7575.770759,1664.258868,0,0,54.0625,51.75,89.75,91.5,82,48,9,0,0,65.54996711,66.80384744,51.219174,43.33978073,13.51851902,2.600496,1.016064,0,0,153.8616314,190.8217338,132.8551846,155.3509858,98.72577946,43.03415471,31.08374443,0,0,7.633030526,7.812675111,8.008224,8.309847733,7.3914217,6.775488,6.718464,0,0,1.082434887,1.349871762,0.924765395,1.120467585,0.918102187,0.540174534,0.444612905,0,0,169.6782198,150.2462555,169.6268887,162.4515325,164.4275007,180.3754943,184.917652,0,0,2.845394737,2.875,2.8046875,3.05,2.05,1.142857143,1,0,0,0.301064385,-0.135058911,0.089932272,-0.100228951,-0.09702035,0.066604466,0.025239281,0,0,674.5538907,9.445055512,295.8030495,-607.2363702,-760.5897424,545.189123,180.1119393,0,0,834.4666208,-220.3842275,361.5739017,-350.826016,-995.1093319,570.5342212,216.9781421,0,0,1.933466105,0.00305569,0.279168665,-1.662714061,-0.628708643,0.833664399,0.208800898,0,0,3.597812604,-1.784138476,1.139918368,-0.048045132,-3.380008911,1.576639629,0.69672822,0,0,20.19020202,-11.10909581,5.454566256,1.681697626,-16.69828971,7.191485224,3.384535402,0,0,12.05921053,-2.128462604,5.860803324,-9.448753463,-9.479916898,7.033587258,2.133137119,0,0,0.015845494,-0.007503273,0.002810384,-0.003340965,-0.002425509,0.001585821,0.002804365,0,0,35.50283635,0.524725306,9.243845297,-20.24121234,-19.01474356,12.9806934,20.0124377,0,0,43.91929583,-12.24356819,11.29918443,-11.69420053,-24.8777333,13.58414812,24.10868246,0,0,0.101761374,1.70E-04,0.008724021,-0.055423802,-0.015717716,0.019849152,0.0232001,0,0,0.189358558,-0.099118804,0.035622449,-0.001601504,-0.084500223,0.037539039,0.077414247,0,0,1.062642212,-0.61717199,0.170455195,0.056056588,-0.417457243,0.171225839,0.376059489,0,0,0.634695291,-0.118247922,0.183150104,-0.314958449,-0.236997922,0.167466363,0.237015235,0,0,-0.473527227,0.177361685,-0.210846379,-0.15307246,0.100080226,0.176981831,0,0,0.014779814,0.260369206,-0.570129444,-0.535583787,0.365624123,0.563685602,0,0,-0.278774237,0.25727153,-0.266265665,-0.566441989,0.309297949,0.548931443,0,0,0.001668222,0.085730179,-0.544644789,-0.154456602,0.19505586,0.227985323,0,0,-0.523445073,0.188121674,-0.008457523,-0.446244541,0.198243159,0.408823596,0,0,-0.580790018,0.160406949,0.052752081,-0.392848353,0.161132164,0.353890976,0,0,-0.186306601,0.28856383,-0.496235679,-0.373404255,0.263853168,0.373431533,0,0,1.51070418,1.492845427,2.141035989,0.778073052,0.016244508,0,0,0,1.124008552,0.891586383,1.859611853,1.418926006,0.230754428,0,0,0,1.701280548,0.670457639,1.356001548,1.591845378,0.346867717,0,0,0,0.92643155,1.484783981,2.399987456,0.853728853,0.015770641,0,0,0,2.097216987,0.716210748,1.150975228,1.517413773,0.359655775,0,0,0,2.175285132,0.766704666,1.140041128,1.462186831,0.348133601,0,0,0,1.150572831,1.119476268,2.136333879,1.147463175,0.106616787,0,0,0,20.97584908,10.73792454,14.59948004,21.33299194,3.047570277,10.73799053,0.5,5.55E-16,7.93E-17,-24.58915386,4000004.304,571429.1863,10.6412642,20.99087086,10.74470101,14.61028081,21.34696455,3.049566364,10.74476652,0.498531158,8.88E-16,1.27E-16,-24.26015132,4000004.304,571429.1862,10.6412642,34.51560782,16.85880943,24.29955288,33.94561571,4.849373672,16.85880953,-0.797988956,1.11E-16,1.59E-17,-25.7157604,4000004.172,571429.1675,10.64126417,21.00663744,10.75181352,14.62161697,21.36163001,3.05166143,10.75187853,0.4969896,3.33E-16,4.76E-17,-24.9467318,4000004.303,571429.1862,10.6412642,49.03828117,23.43684632,34.66547667,47.49214651,6.784592358,23.43684632,-2.164588529,6.66E-16,9.52E-17,-24.46152877,4000004.13,571429.1615,10.64126417,22.55342496,11.44984666,15.73310648,22.80075951,3.257251358,11.44987727,0.346268372,9.99E-16,1.43E-16,-24.17770319,4000004.275,571429.1822,10.64126419,22.07014899,11.41650307,14.90560389,22.61504695,3.230720993,11.41653887,0.762857143,8.88E-16,1.27E-16,-24.26015132,4000004.18,571429.1686,10.64126417,0,11.99640053,15.99825848,-0.382198901,0.162042271,4.604264313,7.325503236,6,18,18,18,6,0,0,0,0,0,16.950484,3.507064393,2.792395245,2.646932163,2.333552793,1.595340436,1.018637612,0.083923071,0.083923071,1.742383974,1.395080814,1.372401575,1.249629723,0.134676328,0.083923071,0.083923071,0.083923071,3.397413184,2.722087809,2.654328764,2.405454588,1.501584683,0.607375549,0.270913902,0.270913902,1.755345179,1.343750351,1.293156335,1.134540686,0.248198208,0.270913902,0.270913902,0.270913902,3.605111927,3.028314638,2.934954285,2.704236987,1.927982102,1.232329453,0.943918427,0.943918427,1.513377229,0.986062882,0.944036655,0.76031856,0.207865206,0.943918427,0.943918427,0.943918427,3.379056369,2.730940909,2.681056779,2.457539916,1.490628003,0.460163917,0.399277246,0.399277246,1.765292107,1.31158806,1.23817516,1.058262671,0.268479872,0.399277246,0.399277246,0.399277246,3.625367998,3.106744481,3.038298067,2.838982085,2.004297134,1.208950731,1.207644823,1.207644823,1.482602333,0.898664316,0.842649361,0.631337262,0.281964214,1.207644823,1.207644823,1.207644823,3.658098279,3.091135815,2.863804269,2.56382137,1.906344354,1.51423398,0.540540541,0.540540541,1.607131452,1.091856281,1.07400967,0.942199748,0.063705031,0.540540541,0.540540541,0.540540541,0,0,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,1.207106781,0.25,0,0,0.574914957,0.083333333,0,0,1.707106781,1,0,0.741581624,0.333333333,0,5.914213562,3.121320344,2.871320344,1.914213562,0.25,0,0,0,0.844887652,0.520220057,0.358915043,0.319035594,0.25,0,0,0,5.316496581,2.224744871,1.808078205,0.983163248,0.083333333,0,0,0,0.759499512,0.370790812,0.226009776,0.163860541,0.083333333,0,0,0,9.680565032,18.98834669,18.05098039,18.36,10.75180599,147.7358778,0.509503423,0.999386668,0.9500516,0.966315789,0.565884526,7.775572518,1.0153,28.097,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,0,0,4000004.229,571429.1756,10.64126418,34,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.729166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844444444,0,0,0,0,0,0,0,0,0,0,0,6.9375,0,0,0,0,0,0,0,0,0,0,0,-0.416666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.729166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.864583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,0,0,0,0,0,0,0,0,0,0,1.614583333,0,0,0,0,0,0,0,0,0,0,0,-0.416666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.864583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.864583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,0,0,0,0,0,0,0,0,0,0,1.854166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.864583333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.25,2.321428571,0.5125,4.864583333,0.215277778,-0.416666667,2.894916667,1.666666667,1.364583333,5.458333333,1.666666667,1.364583333,5.458333333,3.16666,0.45238,0,0.04762,0.52807,0.91905,0.42174,0.52807,0.91905,0.10633,0,-0.10633,0,0.49223,0.22206,0,0.63158,0,0.1579,4,0.57143,4,0.57143,0,0,-4,-0.57143,0,0,5.51686,0.78812,7.84027,2.32342,0.33192,2.08586,0.29798,3.12132,1.03546,0.14792,0.29268,0.04181,0.29268,0.04181,0,6.02,2,2,2,2,0,0,1,1.267443804,1.667951197,2.299530145,2.299530145,2.075955012,1.392180799,24.08143227,31.69107275,43.69107275,43.69107275,39.44314523,26.45143518,0.298367569,0.392650579,0.541329893,0.541329893,0.488698314,0.327731769,2.98048371,2.579976316,1.948397369,1.948397369,2.171972501,2.855746715,0.303948825,0.399995491,0.551455996,0.551455996,0.497839892,0.333862311,11.97254971,16.77863843,17.4151595,17.4151595,14.73225792,5.161157554,25.70002921,20.041512,21.31869721,21.31869721,19.97724642,10.40440743,7,2.34375,2.666666667,7,0,3,1.79,0.9305,2.039648903,0,0,2.828427125,0,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0.003,0.558,0.563,0.418,0.047,2.577,8,6,1,0,0,0,0,0,0,28,1.945910149,2.197224577,1.945910149,0.693147181,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.333333333,6,1,0,2,4,1,3,1.111111111,0.125,0,0,0,0,0,0,0,0.5,0.138888889,0.020833333,0,0,0,0,0,0,0,0.659722222,13.06981118,18.30587915,26.13962235,3.734231764,13.0698166,0,0,0,4000004.229,571429.1756,10.64126418,18.46,112.6168352,3.807354922,3.36729583,4.043051268,4.844187086,5.549076085,6.354370041,7.063903961,7.870547845,8.580918882,9.387900612,70.06125161,2.564949357,0,3.80666249,0,5.262690189,0,6.767343125,0,8.282230063,8.532278829,104.0837296,5.478091033,12.44270382,1.777529117,5.25520382,5.25520382,0,44,6,0.844,28,1.222777778,2.061520691,2.89184095,3.302789719,3.588841588,5.264453405,0,0,0,0,93.26591279,118.6539432,129.2412958,48.82585819,11.39806064,5.349021585,0,0,0,0,251.1200988,297.8015227,450.1985945,331.633913,170.0200133,163.6389242,0,0,0,0,9.683418122,16.69661321,24.13401669,24.62460756,24.39048337,35.36904068,0,0,0,0,1.715472551,2.01743102,3.216288076,3.025722686,2.063164532,2.340643921,0,0,0,0,182.848319,346.2629281,470.3905342,545.3630946,641.4184146,973.4903629,0,0,0,0,3.679027778,6.138133352,8.988778275,6.950405803,4.287746207,5.264453405,0,0,0,0,0.422814167,0.541391917,0.826430191,0.704845392,0.463666654,0.539080029,0,0,0,0,286.0618424,208.3812768,11.61225262,54.4900001,-39.69315061,-13.84967037,231.5718423,248.0744274,25.46192299,0.839994993,0.611892965,0.03409834,0.160005007,-0.116555383,-0.040668317,97.41888751,70.96462776,3.954574025,18.55666993,-13.51757557,-4.716530764,0.222394351,0.485214183,0,9.589934234,301.8490654,38.70277706,0.88635276,0.11364724,514.8827339,22.69102761,8.014986148,631.1271669,25.12224446,8.577728414,897.1141742,29.95186429,9.644563411,1.591307996,1.399194076,258.219133,257.0747553,112.3599398,1.004451536,2.298142322,2.287957397,3.434564685,2.999255685,5.948881152,0.983452489,3.346807025,3.428161708,7.016307846,9.521396853,6.43310297,9.058353456,10.13564689,1.191946303,3.130739978,0.150808532,1.540098827,1.29E-13,2.08E-48,6.47E-105,3.89E-183,4.50E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.280874801,3.936233576,0.815333234,4.377475166,0.57164494,1.35151444,0.423663306,1.012510599,0.042170058,0.001066305,0.010847042,9.08E-16,1.46E-50,4.56E-107,2.74E-185,3.17E-285,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.90669672,2.991297167,1.281526769,3.775726626,1.634001067,1.39595494,1.151870067,1.048514873,0.281470773,0.011079149,0.11303454,9.46E-15,1.53E-49,4.75E-106,2.85E-184,3.30E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.15911297,3.934365505,8.142944284,10.35991509,6.418093679,8.997548013,10.25147983,1.180741202,2.803286769,0.134370543,1.372200328,1.15E-13,1.85E-48,5.77E-105,3.46E-183,4.01E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336303921,2.632217974,1.448792725,3.753479483,2.303889057,1.770143316,1.731553972,1.073415475,0.561881443,0.024055186,0.245526126,2.05E-14,3.32E-49,1.03E-105,6.20E-184,7.17E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041754177,3.748838226,10.07040874,12.22168552,8.09194876,12.99767603,14.78080549,1.233683748,4.500264167,0.219926542,2.246089398,1.88E-13,3.03E-48,9.44E-105,5.67E-183,6.56E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.955767849,3.929864286,5.992313817,9.614008625,3.340766405,5.247780763,5.410267121,1.277498376,0.991218867,0.044079615,0.449992353,3.77E-14,6.08E-49,1.89E-105,1.14E-183,1.31E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.92146985,1.137709465,0.662949714,0.618676413,0.240931465,0.472886396,0.451662036,0.424676657,4.722129029,6.014815666,12.94044628,0.42801462,1.349225088,1.935640357,0.689956652,0.53585803,0.612262497,0.218240223,0.207588523,0.459707724,0.100339365,3.161455039,2.742455181,6.619552874,0.418393746,0.767635612,2.419573563,0.837941097,0.581310821,0.630290065,0.218280592,0.324363265,0.245024028,0.326505639,3.838825481,3.921088647,8.938498638,0.445435098,0.895892932,2.836063804,1.083713268,0.692699723,0.614867875,0.234952568,0.445641879,0.409812241,0.463641147,4.612476795,5.788708464,12.53018398,0.422301812,1.319095268,2.642883696,0.975569736,0.555392964,0.633200996,0.233733981,0.386999235,0.332099389,0.298055548,4.173846397,4.587980928,10.19380664,0.449801494,1.017154171,2.963921534,1.162125222,0.683601062,0.616245024,0.241623767,0.486729206,0.471255888,0.451546573,4.809647818,6.265017915,13.42929402,0.424367536,1.409531667,2.880760691,1.110625528,0.672723895,0.617644228,0.238121635,0.459799365,0.430415291,0.437289566,4.664110114,5.884547248,12.70100138,0.426466342,1.327504223 +UMLYSI0397,L,1-propanol,CCCO,saturated alcohols,C3H8O,71-23-8,1031,PubChem,,16.2,0,-0.6854,0.46977316,16.0871,11.416344,0,0,12,4,8,0,3,0,1,0,0,0,0,0,0,0,696.888876,581.568839,494.833294,309.253269,68.616576,3.048192,0,0,0,1735.611438,2034.933251,2193.058551,1528.181395,609.4474637,93.25123329,0,0,0,89.720976,84.409508,141.285376,152.30358,89.278848,20.155392,0,0,0,12.56680724,15.24671816,18.5562836,14.42549669,6.274751507,1.333838715,0,0,0,2045.17557,1663.974151,3106.319975,3661.458992,2188.016594,554.7529561,0,0,0,52.5,32.25,45,46,28,3,0,0,0,58.074073,52.86989445,26.04385758,14.72634614,5.718048,1.016064,0,0,0,144.6342865,184.9939319,115.4241343,72.77054261,50.78728864,31.08374443,0,0,0,7.476748,7.673591636,7.436072421,7.252551429,7.439904,6.718464,0,0,0,1.047233937,1.386065287,0.976646505,0.686928414,0.522895959,0.444612905,0,0,0,170.4312975,151.2703774,163.490525,174.3551901,182.3347162,184.917652,0,0,0,4.375,2.931818182,2.368421053,2.19047619,2.333333333,1,0,0,0,0.217026391,-0.100885917,-0.026567368,0.025323518,-0.020907211,0.014523782,0,0,0,395.928108,-64.994009,-162.036018,12.969973,-31.904,48,0,0,0,514.4985023,-83.59670822,-254.7602477,-32.94320824,52.96816353,61.08274955,0,0,0,1.005444,-0.116045,-0.165161,-0.039271,-0.230632,0.048387,0,0,0,2.213391858,-0.321809643,-1.07713566,-0.368742892,0.454951784,0.206040482,0,0,0,12.32382793,-1.706534756,-5.806729951,-2.416646497,2.748673595,1.019323642,0,0,0,22.41666667,-3.506944444,-3.951388889,0.479166667,-5.25,1.020833333,0,0,0,0.018085533,-0.009171447,-0.001398283,0.001205882,-0.001742268,0.004841261,0,0,0,32.994009,-5.908546273,-8.528211474,0.617617762,-2.658666667,16,0,0,0,42.87487519,-7.599700747,-13.40843409,-1.568724202,4.414013627,20.36091652,0,0,0,0.083787,-0.010549545,-0.008692684,-0.001870048,-0.019219333,0.016129,0,0,0,0.184449322,-0.029255422,-0.056691351,-0.017559185,0.037912649,0.068680161,0,0,0,1.026985661,-0.155139523,-0.305617366,-0.115078405,0.229056133,0.339774547,0,0,0,1.868055556,-0.318813131,-0.207967836,0.02281746,-0.4375,0.340277778,0,0,0,-0.507115117,-0.077314976,0.0666766,-0.096334879,0.26768692,0,0,0,-0.179079368,-0.258477576,0.018719088,-0.080580286,0.484936523,0,0,0,-0.177253012,-0.312734067,-0.036588426,0.102951055,0.474891564,0,0,0,-0.125909096,-0.10374741,-0.022319066,-0.229383238,0.19250003,0,0,0,-0.15860954,-0.307354617,-0.095197885,0.20554507,0.372352472,0,0,0,-0.151062989,-0.29758679,-0.112054539,0.223037323,0.330846437,0,0,0,-0.170665765,-0.111328507,0.012214551,-0.234200743,0.182156134,0,0,0,1.373588803,0.828733536,0.7355153,1.420866705,0.88278808,0,0,0,1.374108413,1.225386496,0.788344417,0.920602608,0,0,0,0,1.646057103,1.379922723,0.790098298,0.423564655,0,0,0,0,1.053425153,0.955075097,0.839404757,1.553199714,0,0,0,0,1.765768429,1.419546911,0.808001949,0.219759587,0,0,0,0,1.778171464,1.414712711,0.815249035,0.203361888,0,0,0,0,1.104089219,0.962042653,0.806160382,1.553903346,0,0,0,0,9.436347219,4.843173609,7.973149273,9.561347219,2.390336805,4.859074871,0.25,0.047305819,0.011826455,-1.220448784,8.113795335,2.028448834,0.837426296,9.438954437,4.844110008,7.974815567,9.563587226,2.390896807,4.859992727,0.249265579,0.047164977,0.011791244,-1.221641472,8.113993232,2.028498308,0.837436052,11.74463569,5.672820608,9.680698805,11.54513845,2.886284614,5.678948819,-0.398994478,0.064669834,0.016167459,-1.095384171,10.67732694,2.669331735,0.947249006,9.441690741,4.84509277,7.976565015,9.565938141,2.391484535,4.860956056,0.2484948,0.047017157,0.011754289,-1.22289708,8.114205505,2.028551376,0.837446517,14.18213106,6.549918397,11.84239416,13.64098393,3.410245982,6.552360016,-1.082294264,0.131663139,0.032915785,-0.811003438,15.67652603,3.919131508,1.100865775,9.709291821,4.941213004,8.150918699,9.795858914,2.448964729,4.955306329,0.173134186,0.032566995,0.008141749,-1.369782376,8.158234171,2.039558543,0.839611098,8.628179484,4.647423075,7.730225728,8.961512817,2.240378204,4.670393392,0.666666667,0.099774923,0.024943731,-0.921935361,7.014155172,1.753538793,0.77917211,0,11.99654878,15.99794171,-0.421734983,0.06940086,3.629588158,5.362254858,3,11,11,11,3,0,0,0,0,0,8.745656,3.295074073,2.558186649,1.693064967,1.165187119,0.083923071,0.083923071,0.083923071,0.083923071,1.756765994,1.210417063,0.689354378,0.387254117,0.083923071,0.083923071,0.083923071,0.083923071,3.286704795,2.493944958,1.641898074,1.165693778,0.270913902,0.270913902,0.270913902,0.270913902,1.706059039,1.163697924,0.600720609,0.319309321,0.270913902,0.270913902,0.270913902,0.270913902,3.471885261,2.824623271,2.110612408,1.729746219,0.943918427,0.943918427,0.943918427,0.943918427,1.467474198,0.778325847,0.083361015,0.29863039,0.943918427,0.943918427,0.943918427,0.943918427,3.302741229,2.506561968,1.67399618,1.193770616,0.399277246,0.399277246,0.399277246,0.399277246,1.675343617,1.134276972,0.54425677,0.245844131,0.399277246,0.399277246,0.399277246,0.399277246,3.534410558,2.909521409,2.246249391,1.905730969,1.207644823,1.207644823,1.207644823,1.207644823,1.403651274,0.684348486,0.064396503,0.467656294,1.207644823,1.207644823,1.207644823,1.207644823,4.283919275,3.202029034,2.259907779,1.58277142,0.6,0.6,0.6,0.6,1.545007308,0.830686129,0.263261865,0.310327795,0.6,0.6,0.6,0.6,0,0,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,2.861427158,1.523334547,0.723606798,0.223606798,0,0,0,0,0.715356789,0.507778182,0.361803399,0.223606798,0,0,0,0,5.88211032,11.8820102,11.25098039,11.44,6.674457485,93.52484671,0.49017586,0.990167516,0.937581699,0.953333333,0.55620479,7.793737226,0.3887,17.3768,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.776388889,0,7.875,0,0,0,0,0,0,0,0,0,0,0.776388889,0,0,0,0,0,0,0,0,0,0,0,0,0,1.023611111,0,0,0,0,0,0,0,0,0,0,0,1.930555556,0,1.194444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.776388889,0,7.875,0,0,0,0,0,0,0,0,0,0,0.776388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.2625,0,0,0,0,0,0,0,0,0,0,0,1.930555556,0,0.319444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.776388889,0,7.875,0,0,0,0,0,0,0,0,0,0,0.776388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.930555556,0,0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,2.75,0.776388889,7.875,0.2625,0.319444444,1.409722222,1.180555556,1.875,3.75,1.180555556,1.875,3.75,1.83333,0.45833,0,0.04167,0.49722,0.89167,0.41429,0.49722,0.77333,0.08294,0,-0.08294,0.11833,0.51402,0.20027,0,0.45454,0,0,1.75,0.4375,1.75,0.4375,0,0,-1.75,-0.4375,0,0,2.35011,0.58753,2.95465,0.60455,0.15114,1.57596,0.39399,1.91421,0.33826,0.08456,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3.01,1,1,1,1,1,1,1,1.188721876,1.947338796,2.855388542,2.855388542,2.257894792,0.798746875,14.26466251,23.36806555,34.26466251,34.26466251,27.09473751,9.584962501,0.331585582,0.54319642,0.796490491,0.796490491,0.629823824,0.222804806,2.396240625,1.637623705,0.729573959,0.729573959,1.327067709,2.786215626,0.343617682,0.562907151,0.825392393,0.825392393,0.652677966,0.230889627,11.17145733,16.29155673,17.20671199,17.20671199,10.03678699,0.804997095,14.509775,11.24139657,11.28947396,11.28947396,7.70451146,1.798746875,4,3,4,4,0,3,1.68,0.59,0,1.414213562,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.385,0.375,0.449,0.205,2.121,2,1,0,0,0,0,0,0,0,10,1.386294361,1.098612289,0.693147181,0,0,0,0,0,0,0,2.397895273,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.333333333,3,1,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,20.23,69.23463928,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,60.05751488,5.004792906,6.871320344,1.717830086,2.310660172,2.310660172,0,10,1,0.282,10,1.198272727,2.077931494,2.770800689,3.292850868,4.213152135,0,0,0,0,0,74.39639766,60.36207915,49.05203673,22.50305571,4.280832211,0,0,0,0,0,244.1480966,254.9751241,212.8978008,181.3061656,130.9605442,0,0,0,0,0,9.21920257,15.52277764,20.20184536,25.10873145,28.30591095,0,0,0,0,0,1.777465386,2.115417001,1.941439794,1.765717314,1.87322181,0,0,0,0,0,178.9658466,336.9288268,481.7114633,599.2994685,779.0862005,0,0,0,0,0,3.601977273,5.087890486,6.483367856,8.801775674,4.213152135,0,0,0,0,0,0.404463327,0.497086781,0.484693426,0.486419157,0.431426779,0,0,0,0,0,284.445133,139.8236403,12.9365236,171.8633705,-84.48224034,-22.10573609,112.5817625,224.3058806,35.04225969,0.623361456,0.306423482,0.028350389,0.376638544,-0.185142814,-0.048444717,129.794733,63.80271605,5.903045726,78.42271739,-38.54996466,-10.08703535,0.42664308,0.805009682,8.711475957,32.07314073,396.0479213,60.2605822,0.867938945,0.132061055,221.8430372,14.89439617,6.053621557,307.6832218,17.5409014,6.75099736,293.6101966,17.13505753,6.646459733,1.677287708,1.515443914,136.0812843,125.5418916,20.56870743,1.083951202,6.615937574,6.103538203,2.717285248,2.359935319,4.338526665,0.838409142,2.666641284,2.279835686,3.00452129,5.39886256,1.948515719,0.040413221,0.457740448,0.159716805,1.99E-19,5.17E-59,2.60E-120,2.51E-203,4.69E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.243697775,2.406771359,0.278855958,1.290270579,0.015619095,0.023349419,0.00525256,0.016570296,2.22E-20,5.78E-60,2.90E-121,2.81E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.667237046,2.170542916,0.641725243,1.551658909,0.147879911,0.015062923,0.035880019,0.02945474,3.85E-20,1.00E-59,5.03E-121,4.87E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.740049911,2.406377657,3.32838215,5.190543721,1.737397863,0.043864114,0.41418606,0.196134843,2.50E-19,6.50E-59,3.26E-120,3.16E-203,5.89E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.91648382,2.08078031,0.806503065,1.861412137,0.316550466,0.013300876,0.073738521,0.030229186,3.81E-20,9.92E-60,4.98E-121,4.82E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.400985737,2.360042533,4.09749016,7.271374028,2.835544617,0.053247833,0.66739869,0.233242025,2.91E-19,7.56E-59,3.79E-120,3.67E-203,6.85E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.747819299,3.032747502,4.224055298,4.060335625,0.707520573,0.084291752,0.196399551,0.322921198,4.30E-19,1.12E-58,5.61E-120,5.43E-203,1.01E-307,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.000479428,0.72965547,0.414643513,0.636127309,0.232021267,0.549427903,0.576621567,0.499982783,3.14477841,2.59169348,6.341710753,0.454190964,1.626032252,2.194508398,0.25899201,0.083458598,0.865015317,0.102087582,0.671409015,0.071261427,0.02025571,2.536959006,0.773125846,3.357519393,0.797522975,0.762926153,1.862886801,0.479390351,0.229168144,0.724451267,0.186428368,0.48328045,0.244547241,0.152726287,2.571445295,1.429825263,4.20592916,0.5866769,0.880553978,2.080510248,0.698576205,0.395276199,0.655410385,0.220068178,0.59454836,0.528303585,0.45436684,3.174362651,2.551901682,6.300756766,0.483115578,1.577218785,1.777471658,0.579413715,0.297656048,0.669596505,0.218272622,0.43876844,0.358627235,0.257652714,2.65454142,1.731432641,4.692527482,0.504394758,1.055048388,2.044064561,0.752754688,0.433213348,0.632830939,0.233048635,0.572813825,0.614506241,0.545769121,3.230032597,2.750298612,6.646907568,0.449246408,1.733089187,2.082595003,0.699550154,0.396388767,0.655206159,0.220085791,0.595614904,0.529887156,0.456928216,3.178533923,2.559690741,6.315715394,0.482809238,1.582430276 +UMLYSI0398,L,diglyme,COCCOCCOC,other multi-oxygen compounds,C6H14O3,111-96-6,8150,PubChem,,16.1,0,-0.2113,0.04464769,35.0995,22.301102,0,0,23,9,14,0,6,0,3,0,0,0,0,0,0,0,1647.713625,1611.011408,1534.243551,1395.636166,1147.104685,902.875772,734.139347,517.591626,253.218841,3625.446163,4269.723445,4858.389918,4637.940791,4197.033916,3353.250468,2663.180244,2125.830101,1288.603619,179.35674,174.931184,319.479132,286.0294,283.288852,292.700288,164.367596,171.865656,144.989092,24.88759267,29.20346034,34.56529533,35.86667547,35.30386406,26.9505952,21.27397066,19.14947796,11.33286277,3905.967122,3317.364351,6660.493158,5982.611094,6455.055961,6722.961367,3450.67319,4056.923958,3456.911841,67.75,63.5,100.25,94,71.75,77.5,53.25,43,37,71.63972283,73.22779127,39.33957823,38.76767128,29.41294064,23.75988874,34.95901652,21.56631775,13.32730742,157.6280941,194.0783384,124.5741005,128.8316886,107.6162542,88.24343337,126.8181069,88.57625421,67.82124309,7.79811913,7.951417455,8.191772615,7.945261111,7.263816718,7.702639158,7.827028381,7.161069,7.631004842,1.082069246,1.327430015,0.886289624,0.996296541,0.905227284,0.709226189,1.013046222,0.797894915,0.596466462,169.8246575,150.7892887,170.7818758,166.1836415,165.5142554,176.920036,164.317771,169.0384983,181.9427285,2.945652174,2.886363636,2.570512821,2.611111111,1.83974359,2.039473684,2.535714286,1.791666667,1.947368421,0.499060408,-0.079763313,-0.331480744,0.198793628,0.038620731,-0.175695871,0.105605825,0.040213439,-0.082183588,864.9775109,35.74618021,-326.7162685,-264.172501,125.3569872,57.86749317,-221.5156227,106.9385125,23.27916137,1001.546252,-272.2750876,21.83953105,-239.1807628,-235.0954693,389.2116181,-271.206921,-112.8062222,287.3628286,2.79138887,-0.067880832,-1.940597127,0.617390639,0.503703047,-0.964539524,0.321934336,0.383688136,-0.563260371,4.298655266,-2.408925527,0.880958102,0.252949158,-2.284551115,1.993736328,-0.480142938,-1.29434424,1.701940712,24.31732797,-15.23752392,5.256760037,4.048898153,-14.36482241,10.80252612,-1.129286935,-8.255699869,9.707621495,16,0.5,-11.5,1,5,-5,0,4,-2.75,0.021698279,-0.003625605,-0.008499506,0.005522045,9.90E-04,-0.004623576,0.005028849,0.00167556,-0.004325452,37.60771786,1.624826373,-8.377340218,-7.338125028,3.214281724,1.522828768,-10.54836299,4.455771353,1.225219019,43.54548922,-12.37614035,0.559987976,-6.643910077,-6.028088957,10.242411,-12.91461528,-4.700259259,15.1243594,0.121364733,-0.003085492,-0.049758901,0.01714974,0.012915463,-0.025382619,0.015330206,0.015987006,-0.029645283,0.186898055,-0.109496615,0.022588669,0.007026365,-0.058578234,0.052466745,-0.022863949,-0.05393101,0.089575827,1.057275129,-0.692614723,0.134788719,0.112469393,-0.36832878,0.284277003,-0.053775568,-0.343987495,0.510927447,0.695652174,0.022727273,-0.294871795,0.027777778,0.128205128,-0.131578947,0,0.166666667,-0.144736842,-0.167091832,-0.391713389,0.254492318,0.04563842,-0.213084902,0.23176257,0.07722087,-0.1993454,0.043204599,-0.222755878,-0.195122848,0.085468673,0.040492454,-0.280483996,0.118480238,0.032578925,-0.284211765,0.012859839,-0.152574014,-0.138431995,0.235211756,-0.296577568,-0.107939062,0.347323217,-0.025423303,-0.409994726,0.141307441,0.106418581,-0.209143285,0.126315166,0.131726946,-0.244266039,-0.585862784,0.120860911,0.037594642,-0.313423453,0.280723871,-0.122333801,-0.288558434,0.4792764,-0.655094123,0.127486891,0.106376656,-0.348375526,0.268877036,-0.050862417,-0.325352867,0.483249282,0.032670455,-0.423878205,0.039930556,0.184294872,-0.189144737,0,0.239583333,-0.208059211,1.16042231,1.962332738,0.941480092,0.426021238,1.32761517,0.820145668,0.324223042,1.312698867,1.034910716,1.36247869,1.233828241,0.731332253,0.924791445,1.277511031,0.658357779,0.902498995,1.676645401,0.875001697,1.165225506,1.179995162,0.521369506,1.351990193,1.061770166,0.289421911,0.945552241,1.947853072,1.024007729,0.376360611,1.350436521,0.891071971,0.309687056,1.403521357,2.164686726,0.742815823,1.011931848,1.386376699,0.384874946,1.235281462,1.233738532,0.01477257,2.259514042,0.765248195,0.961749472,1.399280821,0.392706882,1.177638219,1.239956113,5.49E-05,0.890625,1.868589744,1.088541667,0.352564103,1.302631579,1.014880952,0.286458333,1.356907895,45.05881591,22.90440796,36.65191503,45.64214925,5.071349916,22.90440796,0.75,2.78E-16,3.08E-17,-32.23845885,2000019.513,222224.3903,13.05780075,45.08941524,22.91860599,36.67439396,45.67103493,5.074559436,22.91860599,0.747796737,2.78E-16,3.08E-17,-32.23845885,2000019.512,222224.3902,13.05780075,72.14820888,35.47561272,56.62193586,71.21722177,7.913024641,35.47561272,-1.196983434,6.11E-16,6.78E-17,-31.52884723,2000019.234,222224.3593,13.05780062,45.12152962,22.93350701,36.69798617,45.70135082,5.077927869,22.93350701,0.745484401,5.00E-16,5.55E-17,-31.70945086,2000019.511,222224.3901,13.05780074,100.7184362,48.73577668,77.75423168,98.19308287,10.91034254,48.73577668,-3.246882793,1.11E-16,1.23E-17,-33.06312051,2000019.224,222224.3582,13.05780062,48.2624084,24.39090548,39.00674457,48.66638816,5.407376463,24.39090548,0.519402558,1.22E-15,1.36E-16,-30.90501477,2000019.437,222224.3819,13.05780071,38.90677133,20.0317805,32.4941703,39.73904602,4.415449557,20.03178051,1.46031746,0,0,0,2000020.008,222224.4453,13.05780097,0,11.9963552,15.99870214,-0.408764538,0.074069457,4.203655429,5.971190345,8,22,22,22,8,0,0,0,0,0,21.052898,3.429264475,3.208207024,2.838812554,2.556263894,2.037624953,1.64215576,0.828148501,0.765673138,1.699282184,1.571602961,1.377411675,1.309735035,0.818483159,0.707163634,0.083923071,0.083923071,3.3172633,3.109175519,2.731958456,2.588328594,1.985146711,1.678601803,0.522365995,0.517651371,1.725207082,1.572094468,1.332280782,1.211797883,0.751446104,0.582324125,0.270913902,0.270913902,3.553948253,3.360382239,3.041432704,2.847123817,2.354193435,2.072382276,1.156215382,1.152875684,1.454255378,1.278327845,0.97895186,0.880238103,0.312432264,0.111780006,0.943918427,0.943918427,3.297660982,3.099209658,2.732385252,2.622658947,1.995894009,1.730621885,0.443680904,0.44364611,1.735609581,1.570549549,1.308867123,1.147642517,0.706788581,0.499873276,0.399277246,0.399277246,3.580819138,3.400868597,3.106794267,2.956571052,2.458152656,2.22693386,1.208594559,1.208594559,1.418903777,1.228448845,0.89862642,0.774470426,0.203639217,0.042271745,1.207644823,1.207644823,3.701097265,3.543081799,3.262276532,2.749139294,2.364468337,1.950158156,1.435397579,1.325301315,1.507793433,1.349555382,0.998823119,0.966664096,0.47121161,0.351461086,0.6,0.6,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.949747468,4.414213562,2.767766953,1.707106781,1.030330086,0.603553391,0.338388348,0.176776695,0.772194163,0.551776695,0.395395279,0.284517797,0.206066017,0.150888348,0.112796116,0.088388348,6.053171996,2.971197119,1.597970995,0.863590092,0.386579869,0.201184464,0.100343679,0.034020691,0.672574666,0.37139964,0.228281571,0.143931682,0.077315974,0.050296116,0.033447893,0.017010345,11.93719194,23.20684632,22.1254902,22.52,13.0306,178.9186539,0.519008345,1.008993318,0.961977835,0.979130435,0.566547826,7.779071908,0.2958,34.571,27.74218932,44.32390806,55.48437864,6.16493096,27.74218932,1.22E-15,1.36E-16,-30.90501477,2000019.329,222224.3699,13.05780066,96,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,2,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.576875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.38,0,0,0,0,0,0,0,0,0,0,0,3.304922052,0,2.618202948,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.576875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.756215278,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.588888889,0,0,0,0,0,0,0,0,0,0,0,1.652461026,0,0.652638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.756215278,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.064444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.601111111,0,0,0,0,0,0,0,0,0,0,0,1.652461026,0,0.656462585,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.064444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,20.5,2.277777778,0.601111111,5.064444444,0.197777778,0.652638889,2.689700147,0.847361111,1.564444444,8.15375,0.847361111,1.564444444,8.15375,3.99999,0.44444,0,0.05556,0.55652,0.95556,0.42414,0.55652,0.95556,0.13238,0,-0.13238,0,0.46511,0.24918,0,0.25,0,0,5.5,0.61111,5.5,0.61111,0,0,-5.5,-0.61111,0,0,6.00393,0.6671,9.36685,3.36292,0.37366,2.76236,0.30693,4.41421,1.65185,0.18354,-2.10E-04,-2.00E-05,-2.10E-04,-2.00E-05,0,8.03,3,3,3,3,0,0,1,1.324969286,1.564524721,2.284006521,2.457919565,2.805745652,2.631832608,30.47429357,35.98406858,52.53214998,56.53214998,64.53214998,60.53214998,0.292903977,0.345861234,0.504913284,0.543359324,0.620251403,0.581805363,3.19859267,2.959037235,2.239555435,2.065642391,1.717816305,1.891729348,0.29711618,0.350835006,0.512174357,0.551173283,0.629171135,0.590172209,12.63880271,15.51346793,18.03369908,20.1206556,20.47120344,18.38424691,33.50840095,29.51231192,27.95945472,24.77984716,24.05141313,27.23102069,9,8,8,9,0,2,1.79,1.1301,0.125,2.18409669,0,0,2.941682753,0,0,0,0,0,0,0,0.793700526,0,0,0,0,0,0,0.003,0.718,0.742,0.682,0.082,3.848,7,6,5,4,3,2,1,0,0,45,2.197224577,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,0.75,8,1,0,4,8,1,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0.03125,0,0,0,0.0625,0.031746032,0.020833333,0.016,0.013888889,0.013605442,0.015625,0,0,0,0.174198696,27.74218932,44.32390806,55.48437864,6.16493096,27.74218932,1.22E-15,1.36E-16,-30.90501477,2000019.329,222224.3699,13.05780066,27.69,138.7030466,4.169925001,3.433987204,4.043051268,4.672828834,5.303304908,5.942799375,6.580639137,7.22329568,7.863651265,8.507344855,70.57090253,2.833213344,0,3.80666249,0,4.919980926,0,6.098074282,0,7.311218384,7.671360923,134.0942943,5.830186709,16.82976754,1.869974171,8.331837345,8.331837345,0,120,6,-0.36,30,1.229090909,2.067185228,2.822839231,3.555167542,4.71286277,6.018183545,6.878541699,7.856235393,9.554055038,9.878385349,102.0256651,89.25910958,130.7695212,131.6578831,133.0649546,235.7264583,170.0349443,118.0634747,115.6717851,10.03707173,255.6554096,272.9824364,395.4682283,439.7238431,459.2573768,811.8545397,650.0490688,571.3618312,1096.199948,307.0572056,9.921835717,17.03488985,22.63704857,26.28395586,36.68626525,47.55743406,49.66422753,60.56996593,68.00224787,66.36757635,1.68694386,1.908548371,2.956555402,3.513096753,3.549569031,6.348562542,5.68030194,4.872671393,10.63886363,4.392057605,184.6406921,350.4545443,467.0932759,577.191515,827.90974,982.3055251,1154.764567,1425.265117,1462.941248,1826.687825,3.756159091,5.460336556,7.820976702,7.248706665,10.11342444,16.02318416,13.04538454,16.02298025,19.10811008,9.878385349,0.431400682,0.519834026,0.732600834,0.850404374,0.942831382,1.543456154,1.374978516,1.302641016,2.292973209,1.01154666,445.2284416,507.1187584,23.24292774,80.13952514,-91.27956052,-30.51221242,365.0889165,598.3983189,53.75514016,0.847460199,0.965263949,0.044241235,0.152539801,-0.173744054,-0.058077794,233.9087611,266.423951,12.21108969,42.10273938,-47.95535712,-16.030139,0.061967258,0.334958027,0.03507816,16.95120162,445.2284416,80.13952514,0.847460199,0.152539801,710.2425317,26.65037583,8.922137089,845.8610368,29.08369022,9.457282021,1098.906036,33.14975167,10.31937797,3.055785617,3.055785617,1271.933281,1246.54568,45.44622988,1.020366362,27.98765231,27.4290229,4.415973724,5.28967589,10.57469951,0.999120501,3.904608323,4.193680658,13.20028877,12.08368575,7.606468954,6.095286821,8.500662185,6.341184289,1.505622183,0.057748598,9.046446515,5.251063524,4.288555796,1.201245156,2.906545311,0.935159853,1.358177787,1.4819451,0.609472348,2.121622035,2.79E-08,1.31E-37,1.19E-88,2.08E-161,7.01E-256,0,0,0,0,0,0.327687438,4.9558748,1.30116609,1.480930962,0.361083403,3.726932397,0.612529677,1.702049444,0.096669163,0.006350038,1.499838366,0.240252422,3.5709198,0.07296021,0.611023828,0.00701735,0.121406153,0.010844269,0.051148752,0.014942757,1.96E-10,9.23E-40,8.37E-91,1.46E-163,4.93E-258,0,0,0,0,0,1.057812932,3.53846426,2.38622283,2.814433435,1.348314867,2.421957932,2.043787203,1.333513481,0.33074946,0.012071626,2.005304535,0.907634151,2.709168565,0.253876909,0.630609892,0.069126566,0.372443042,0.109146975,0.165114433,0.155715054,2.05E-09,9.62E-39,8.72E-90,1.52E-162,5.14E-257,0,0,0,0,0,3.685631968,4.952995776,15.89164642,11.64475164,6.98898703,6.66852783,7.954475149,6.489483072,1.401089428,0.069490226,8.843054606,4.81856749,4.903784799,1.114699704,3.40971798,0.834695264,1.286879156,1.320431409,0.575292154,1.890327036,2.49E-08,1.17E-37,1.06E-88,1.85E-161,6.24E-256,0,0,0,0,0,1.559021303,2.999837928,2.542491597,3.935304824,2.17200979,2.370859799,3.079413344,1.424369018,0.507162683,0.013213032,2.622584482,1.471305248,2.652870822,0.392735557,0.619517867,0.149217989,0.543945587,0.236600844,0.24334832,0.338233904,4.45E-09,2.09E-38,1.89E-89,3.31E-162,1.12E-256,0,0,0,0,0,4.715380028,4.674655844,19.20031763,15.59670819,10.09033104,8.1731484,10.59479832,8.952463472,1.916749025,0.081830624,12.06976923,6.995178532,5.033949333,1.541522901,4.169101147,1.36385027,1.642200515,2.161088196,0.736026252,3.094186344,4.07E-08,1.91E-37,1.73E-88,3.03E-161,1.02E-255,0,0,0,0,0,2.409701989,6.359156622,14.95142355,7.817132819,3.458353394,8.018582717,4.916801728,5.248367722,0.744089336,0.065815765,6.389404788,2.366302445,7.106581104,0.583462307,3.386930321,0.34032227,0.991092738,0.533944824,0.43881991,0.763783932,1.00E-08,4.72E-38,4.28E-89,7.48E-162,2.52E-256,0,0,0,0,0,11.00157941,0.652237541,0.432671491,0.910237863,0.053964189,0.556257552,0.493573907,0.521721165,12.08648845,12.21791747,27.40910212,0.865356794,1.571552624,9.221268669,0.280991903,0.07476099,0.962853494,0.029340218,0.390793378,0.091606907,0.015576575,9.577021562,3.301500237,13.07223514,0.94428024,0.49797686,10.07685314,0.432790916,0.225847471,0.938648511,0.040314029,0.466676253,0.217318591,0.142151798,10.73549152,6.734747027,18.45519788,0.907972767,0.826146642,10.83254425,0.624721184,0.4047664,0.913211531,0.052665613,0.539295489,0.452806939,0.456594634,11.86203184,11.40483596,26.0060515,0.869817296,1.448697062,10.49410012,0.513688254,0.304927269,0.927637576,0.045408041,0.506123206,0.306153958,0.259128047,11.31271564,8.747270812,21.70375665,0.891456364,1.071405212,11.0779544,0.674366535,0.452900926,0.90764056,0.055252296,0.564007644,0.527633825,0.571647504,12.20522186,12.79323876,28.38190305,0.861460839,1.663288974,10.94723996,0.63537656,0.416240928,0.912356865,0.052953088,0.550776142,0.468385008,0.482849135,11.99885745,11.77677872,26.67084975,0.868535297,1.502010285 +UMLYSI0399,L,2-ethoxyethanol,CCOCCO,other multi-oxygen compounds,C4H10O2,110-80-5,8076,PubChem,,15.7,0,-0.2385,0.05688225,23.5986,15.31193,0,0,16,6,10,0,4,0,2,0,0,0,0,0,0,0,1099.153126,990.110993,944.685304,730.113395,467.615278,307.221141,68.616576,3.048192,0,2437.686605,2869.865488,3157.655822,2584.20801,2027.392048,1466.013906,609.4474637,93.25123329,0,124.050136,118.71254,205.95628,210.940652,131.41504,138.866652,89.278848,20.155392,0,16.88813705,20.15248678,23.81864845,20.86745631,17.35258421,13.53627088,6.274751507,1.333838715,0,2727.256516,2276.905904,4338.661391,4719.954498,2952.930803,3291.623688,2188.016594,554.7529561,0,69,45.75,71.5,75.25,36,44,28,3,0,68.69707037,66.00739953,36.33405015,27.04123685,25.97862656,16.16953374,5.718048,1.016064,0,152.3554128,191.3243658,121.4483008,95.71140777,112.6328916,77.15862662,50.78728864,31.08374443,0,7.7531335,7.914169333,7.921395385,7.812616741,7.300835556,7.308771158,7.439904,6.718464,0,1.055508566,1.343499118,0.916101863,0.772868752,0.964032456,0.712435309,0.522895959,0.444612905,0,170.4535323,151.7937269,166.871592,174.8131295,164.0517113,173.243352,182.3347162,184.917652,0,4.3125,3.05,2.75,2.787037037,2,2.315789474,2.333333333,1,0,0.377123181,-0.131534701,-0.126202219,0.104405742,-0.048760942,0.003796951,-0.006179602,0.01591318,0,591.5296958,-33.68971264,-215.2510193,-37.5971987,-78.29169622,7.125442172,-2.222132313,64.16146917,0,684.3519461,-132.8669932,-244.7145586,117.1002505,-177.2458849,-56.05555003,79.7844705,71.82229275,0,1.881327,-0.171455562,-0.755544375,0.092933188,0.034937125,-0.009457313,-0.22005625,0.087979687,0,2.915623878,-0.947018605,-1.077546437,1.223268534,-0.863094894,-0.491244016,0.482829391,0.214994086,0,16.4472548,-5.851675569,-6.173475072,7.936162818,-4.789267085,-3.100955654,2.739114759,1.016468405,0,26.75,-4.015625,-7.71875,1.921875,0.65625,-0.078125,-5.3125,1.171875,0,0.023570199,-0.00876898,-0.004853932,0.003866879,-0.002708941,2.00E-04,-5.15E-04,0.005304393,0,36.97060598,-2.245980843,-8.278885359,-1.392488841,-4.349538679,0.375023272,-0.185177693,21.38715639,0,42.77199663,-8.857799548,-9.412098407,4.337046315,-9.846993608,-2.950292107,6.648705875,23.94076425,0,0.117582937,-0.011430371,-0.029059399,0.00344197,0.001940951,-4.98E-04,-0.018338021,0.029326562,0,0.182226492,-0.063134574,-0.041444094,0.045306242,-0.047949716,-0.025854948,0.040235783,0.071664695,0,1.027953425,-0.390111705,-0.237441349,0.293931956,-0.266070394,-0.163208192,0.228259563,0.338822802,0,1.671875,-0.267708333,-0.296875,0.071180556,0.036458333,-0.004111842,-0.442708333,0.390625,0,-0.372036746,-0.205935111,0.164057986,-0.114930775,0.008478482,-0.021848216,0.225046613,0,-0.060750447,-0.223931557,-0.037664756,-0.117648563,0.010143823,-0.005008782,0.578490826,0,-0.207093431,-0.220052818,0.101399202,-0.230220574,-0.068977189,0.155445301,0.559729873,0,-0.097211135,-0.247139591,0.029272699,0.016507084,-0.00423321,-0.155958179,0.249411718,0,-0.346462102,-0.22743177,0.24862599,-0.263132521,-0.141883586,0.22080095,0.393272649,0,-0.379503288,-0.23098454,0.285938982,-0.258835067,-0.158770026,0.222052437,0.329609099,0,-0.160124611,-0.177570093,0.042575286,0.021806854,-0.00245942,-0.264797508,0.23364486,0,1.296145409,1.328691309,1.005429146,0.687396308,0.614432986,1.065484168,0.677362535,0,1.151283362,1.271192281,1.022978891,0.936997412,0.795279974,0.84025394,0,0,1.616814285,1.20354053,0.693993094,1.305397189,0.895261694,0.43423307,0,0,1.013826942,1.453191121,1.183190848,0.479659659,0.676128577,1.13192975,0,0,1.94407303,1.230195917,0.491612713,1.404719868,0.9244927,0.227495711,0,0,2.002752272,1.251349616,0.461699043,1.387303038,0.920675882,0.207787943,0,0,1.08411215,1.13767074,0.924195223,0.475077882,1.018199705,1.775700935,0,0,20.14669275,10.32334637,16.4750949,20.48002608,3.41333768,10.32344212,0.5,4.44E-16,7.40E-17,-21.21030373,20.48750049,3.414583415,1.811888981,20.15863756,10.32858436,16.48413453,20.49099166,3.415165277,10.32867956,0.498531158,3.33E-16,5.55E-17,-21.38291297,20.48088976,3.413481626,1.811695347,30.7345363,14.96827367,24.57479414,30.20254367,5.033757278,14.96827437,-0.797988956,4.44E-16,7.40E-17,-21.21030373,17.95316515,2.992194191,1.732659858,20.17117383,10.33408172,16.49362215,20.50250023,3.417083372,10.33417635,0.4969896,3.33E-16,5.55E-17,-21.38291297,20.47397221,3.412328702,1.811492659,41.91984526,19.87762837,33.21407381,40.47678624,6.74613104,19.87762837,-2.164588529,1.11E-16,1.85E-17,-22.04208034,17.2768732,2.879478867,1.709621279,21.39746743,10.8718679,17.42346225,21.62831301,3.604718835,10.87192076,0.346268372,6.66E-16,1.11E-16,-20.96702466,19.88574656,3.314291093,1.794001933,15.76432828,8.483354615,13.47220766,16.56591558,2.76098593,8.48412343,1.202380952,0.033066263,0.005511044,-2.045545061,31.91728724,5.319547874,2.07788867,0,11.99646145,15.99825808,-0.418325431,0.092061245,3.668872652,5.518390134,5,15,15,15,5,0,0,0,0,0,12.84807,3.366706029,2.9959752,2.306446078,1.751525893,1.25281866,0.710393041,0.083923071,0.083923071,1.701127397,1.532684992,0.910675558,0.7667677,0.388935954,0.083923071,0.083923071,0.083923071,3.273625917,2.983725644,2.140861005,1.760087988,1.191136455,0.497910728,0.270913902,0.270913902,1.699435644,1.480999575,0.890116561,0.662568438,0.3300598,0.270913902,0.270913902,0.270913902,3.506316637,3.205761422,2.555110524,2.169708677,1.764608314,1.13526407,0.943918427,0.943918427,1.428804458,1.199006326,0.432605258,0.186955473,0.291519569,0.943918427,0.943918427,0.943918427,3.262821059,3.002809945,2.123535591,1.806088699,1.206212948,0.439980922,0.399277246,0.399277246,1.698669992,1.446230529,0.882332843,0.590711342,0.266639189,0.399277246,0.399277246,0.399277246,3.542796427,3.27967999,2.622695455,2.315434066,1.925344207,1.208515408,1.207644823,1.207644823,1.383475335,1.123631168,0.344675342,0.038959916,0.453272467,1.207644823,1.207644823,1.207644823,4.362372147,3.565069071,2.933699685,2.254068738,1.736717401,1.284401546,0.615384615,0.615384615,1.441887101,1.261612685,0.488640809,0.352378685,0.331267616,0.615384615,0.615384615,0.615384615,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,3.97678223,2.100684816,0.920530223,0.439748805,0.20888729,0.064549722,0,0,0.662797038,0.420136963,0.230132556,0.146582935,0.104443645,0.064549722,0,0,8.138737228,16.10050983,15.3254902,15.6,8.953251497,124.7076228,0.508671077,1.006281865,0.957843137,0.975,0.559578219,7.794226422,0.0152,23.5788,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,1,0,2,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,1,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.771111111,0,12.805,0,0,3.649390432,0,0,0,0,0,0,0,0.771111111,0,0,0,0,0,0,0,0,0,0,0,0,0,1.951111111,0,0,0,0,0,0,0,0,0,0,0,1.898472222,0,1.296527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.072361111,0,4.732638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.771111111,0,4.732638889,0,0,3.649390432,0,0,0,0,0,0,0,0.771111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0.338888889,0,0,0,0,0,0,0,0,0,0,0,1.898472222,0,0.132777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.072361111,0,4.732638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.771111111,0,8.072361111,0,0,3.649390432,0,0,0,0,0,0,0,0.771111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561111111,0,0,0,0,0,0,0,0,0,0,0,1.898472222,0,0.695,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.072361111,0,4.732638889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,2.666666667,0.771111111,8.072361111,0.277777778,0.132777778,1.445066389,1.367222222,2.072361111,6.61,1.367222222,2.072361111,6.61,2.66666,0.44444,0,0.05556,0.54583,0.95556,0.42,0.54583,0.86191,0.12583,0,-0.12583,0.09365,0.46511,0.24918,0,0.3125,0,0,3.25,0.54167,3.25,0.54167,0,0,-3.25,-0.54167,0,0,3.69172,0.61529,5.31294,1.62122,0.2702,2.05037,0.34173,2.91421,0.86384,0.14397,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5.02,2,2,2,2,1,1,1,1.298794941,1.919736718,2.733458593,3.202819531,2.89939747,2.52439747,20.78071905,30.71578748,43.73533749,51.2451125,46.39035953,40.39035953,0.324698735,0.479934179,0.683364648,0.800704883,0.724849368,0.631099368,2.701205059,2.080263282,1.266541407,0.797180469,1.10060253,1.47560253,0.332436988,0.491372018,0.699650662,0.819787361,0.74212405,0.64613979,12.42520413,17.15381877,21.24056776,20.33957959,20.03378324,14.53505458,22.23794941,18.10300624,14.79229297,15.35845859,15.87198735,10.87198735,6,5,5.333333333,6,0,2,1.68,0.7896,0,1.310370697,0,0,1.650963624,0,0,0,0,0,0,0.333333333,0,0,0,0,0,0,0,0.259,0.596,0.601,0.567,0.248,2.908,4,3,2,1,0,0,0,0,0,21,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,0,3.091042453,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.6,5,1,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,29.46,95.32085061,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,90.06807956,5.629254973,10.83915043,1.806525072,5.168655301,5.168655301,0,35,3,-0.266,18,1.214066667,2.079666332,2.774723708,3.507411972,4.633985339,5.401496757,6.234610368,0,0,0,92.27590515,82.88216678,90.4047071,115.0333206,88.79986909,34.65177566,6.334763149,0,0,0,252.6590863,265.8925942,289.0174214,457.0865568,383.4715814,288.6101443,193.7950353,0,0,0,9.692672523,16.57631681,21.86917926,25.96953373,34.14788456,40.81687945,41.88700531,0,0,0,1.719091882,1.967619365,2.249054434,3.743932223,3.420726589,2.867608896,2.771988226,0,0,0,182.6299865,344.7400566,483.5835121,562.4406514,797.9052466,983.8470933,1152.889511,0,0,0,3.84545,5.916493513,8.342287686,7.785553523,11.56451474,13.75774981,6.234610368,0,0,0,0.42195044,0.517881069,0.581779021,0.869078189,0.856084668,0.780994107,0.638424102,0,0,0,358.8257752,291.9128646,18.00321205,129.4685675,-105.325601,-25.99085325,229.3572077,397.2384656,43.9940653,0.734855483,0.597821517,0.03686959,0.265144517,-0.215701047,-0.05322784,175.2125961,142.5394003,8.790866595,63.2187691,-51.42989511,-12.69118661,0.257930631,0.483545969,4.581880955,18.60440512,411.0664686,77.22787416,0.841841555,0.158158445,417.202835,20.42554369,7.472210254,522.4170918,22.8564453,8.05389183,612.3845828,24.74640545,8.491962796,2.3196943,2.3196943,397.6098008,380.3427642,30.6255843,1.04539862,12.98292946,12.41911862,3.410257852,3.603460633,6.532300221,0.812785232,3.224442582,3.045357657,6.221375844,6.421439502,3.255099724,1.736785145,3.315508508,6.288916655,0.556958083,1.785042251,0.978437282,2.445161706,6.33E-10,4.28E-41,5.60E-94,1.41E-168,6.85E-265,0,0,0,0,0,0,0,0,0,0,0,0,0,0.290510412,3.426412604,0.630117785,0.931741701,0.105373446,1.889431538,0.215131523,0.546921656,0.047086857,0.064510389,0.536980356,0.205956571,7.07E-11,4.79E-42,6.25E-95,1.58E-169,7.66E-266,0,0,0,0,0,0,0,0,0,0,0,0,0,0.818353257,2.71771023,1.23738376,1.528209914,0.33356159,1.154161718,0.736059439,0.924582822,0.151113094,0.264447776,0.337023338,0.396142531,1.23E-10,8.30E-42,1.08E-94,2.73E-169,1.33E-265,0,0,0,0,0,0,0,0,0,0,0,0,0,3.26656891,3.425010621,7.367710681,6.233693579,3.187579957,2.290985616,3.086110311,5.812366907,0.525897195,1.626209385,1.065447378,2.836371498,7.95E-10,5.38E-41,7.03E-94,1.77E-168,8.60E-265,0,0,0,0,0,0,0,0,0,0,0,0,0,1.139201201,2.448400745,1.387490813,2.073612,0.54438052,0.985300182,1.126892998,1.425368398,0.222495305,0.446608793,0.291651085,0.448060828,1.21E-10,8.21E-42,1.07E-94,2.70E-169,1.31E-265,0,0,0,0,0,0,0,0,0,0,0,0,0,4.074611588,3.285864558,8.834663531,8.31728417,4.748912208,2.177866492,4.209824612,8.759523851,0.672657458,2.433916239,1.321014508,3.56982751,9.24E-10,6.26E-41,8.17E-94,2.06E-168,1.00E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,3.207397511,4.712183236,8.681306851,4.598087932,1.977926334,6.052595117,1.815325325,3.573543983,0.422722003,0.803957495,2.121496628,4.337775056,1.44E-09,9.73E-41,1.27E-93,3.20E-168,1.56E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,4.580536755,0.736625774,0.414213384,0.799203686,0.12852512,0.607219235,0.539138233,0.499985443,5.731375914,5.576581321,12.70557178,0.698805529,1.646342912,4.302360636,0.276306068,0.074126556,0.924683388,0.059384987,0.536992637,0.076180541,0.016012412,4.652793259,1.528169143,6.269081706,0.887025082,0.62918559,4.266385006,0.482882684,0.220606536,0.858449291,0.097161953,0.528501148,0.232812361,0.141822734,4.969874227,3.107882938,8.532242686,0.787673937,0.903136243,4.604140542,0.699385037,0.388542872,0.808869496,0.122870103,0.613331927,0.485634617,0.439933463,5.692068452,5.280714066,12.2239166,0.713304245,1.538900007,4.293312789,0.586242237,0.295554712,0.829608067,0.113281122,0.535119718,0.343120771,0.254556903,5.175109739,3.959096776,9.878094463,0.744412101,1.132797392,4.631374173,0.759632035,0.432736795,0.795257306,0.130437081,0.620481521,0.572539316,0.545703517,5.823743004,5.851026938,13.19719865,0.692885959,1.738724354,4.668711126,0.706358578,0.394299279,0.809223875,0.122432554,0.630605058,0.495245672,0.453065581,5.769368983,5.417170264,12.48685316,0.713835813,1.578916311 +UMLYSI0400,L,diethyl carbonate,CCOC(=O)OCC,other multi-oxygen compounds,C5H10O3,105-58-8,7766,PubChem,,15.3,0,1.1651,1.35745801,27.624,17.87393,0,0,18,8,10,0,5,0,3,0,0,0,0,0,0,0,1499.385248,1370.419067,1634.467583,1214.56727,1114.578541,530.480498,269.399257,84.835296,9.144576,3077.594284,3508.047478,3825.75578,3381.984994,2978.963653,2290.143836,1695.218043,1061.424631,279.7536999,144.942368,136.426772,238.012652,221.135672,166.151188,157.205576,105.590692,123.32736,60.466176,20.32024105,23.4099431,27.01751028,23.93330001,19.10566975,16.44919307,15.70279472,12.01662072,4.001516144,3039.502158,2551.530831,4867.933027,4809.569701,3140.37717,3088.290223,2397.690441,3137.747111,1664.258868,98.77777778,57.83333333,119.25,77.83333333,96.25,75,25,24,9,83.29918044,80.61288629,56.36095114,43.3774025,58.66202847,29.47113878,17.95995047,4.713072,1.016064,170.9774602,206.355734,131.9226131,120.7851784,156.7875607,127.2302131,113.0145362,58.96803508,31.08374443,8.052353778,8.025104235,8.207332828,7.897702571,8.744799368,8.733643111,7.039379467,6.85152,6.718464,1.12890228,1.377055476,0.931638286,0.854760715,1.005561566,0.91384406,1.046852981,0.66759004,0.444612905,168.861231,150.0900489,167.8597595,171.7703465,165.2830089,171.5716791,159.8460294,174.3192839,184.917652,5.487654321,3.401960784,4.112068966,2.779761905,5.065789474,4.166666667,1.666666667,1.333333333,1,0.415118885,-0.361660448,0.232854771,-0.026989395,-0.011207783,-0.071160166,0.013813294,0.011029841,0.005760444,724.0980578,13.77221954,163.8539824,199.7273432,-365.5964595,-690.6893633,-149.5274418,188.6995756,277.7111151,793.1399219,-196.0811423,-76.09792379,360.7851222,-259.7236183,-273.7112397,-313.7241923,70.56357046,291.4194629,2.632671111,-0.12377916,1.816445432,-0.686101728,-1.611346173,-2.154741333,0.342100741,0.666366222,0.434720444,3.453944568,-1.711488211,-0.353453644,1.062387277,-0.841996373,0.73981844,-1.258754837,-0.179994762,0.816509827,19.81899686,-10.84089604,-1.069533101,4.438474164,-4.761457742,6.515020061,-6.400508425,-1.548957287,3.758359945,39.49382716,-2.32441701,21.78772291,-4.169410151,-19.02434842,-32.67901235,3.625514403,7.061728395,5.975308642,0.02306216,-0.021274144,0.008029475,-9.64E-04,-5.90E-04,-0.003953343,9.21E-04,6.13E-04,6.40E-04,40.22766988,0.810130561,5.650137323,7.133119401,-19.24191892,-38.3716313,-9.968496121,10.48330975,30.85679057,44.063329,-11.53418484,-2.624066338,12.88518294,-13.66966412,-15.20617999,-20.91494615,3.920198359,32.37994032,0.146259506,-0.007281127,0.062636049,-0.024503633,-0.084807693,-0.119707852,0.022806716,0.037020346,0.048302272,0.191885809,-0.100675777,-0.012188057,0.037942403,-0.044315599,0.041101024,-0.083916989,-0.009999709,0.090723314,1.101055381,-0.637699767,-0.036880452,0.158516934,-0.250603039,0.361945559,-0.426700562,-0.086053183,0.417595549,2.194101509,-0.136730412,0.75130079,-0.148907505,-1.001281496,-1.815500686,0.24170096,0.392318244,0.663923182,-0.922469696,0.348166639,-0.041796039,-0.025577974,-0.171421173,0.039930616,0.026570318,0.027753225,0.02013864,0.140454004,0.177318732,-0.478325466,-0.953861643,-0.247801977,0.260599478,0.767053888,-0.261763809,-0.059552158,0.292424182,-0.310227675,-0.345098301,-0.474656514,0.088967367,0.734850068,-0.049782249,0.428252843,-0.16753532,-0.579843974,-0.818462027,0.155933222,0.253114116,0.330250476,-0.524665047,-0.063517238,0.197734282,-0.230947764,0.214195227,-0.437327749,-0.052112812,0.472798455,-0.579171383,-0.033495547,0.143968176,-0.227602574,0.328726025,-0.387537783,-0.078155181,0.379268433,-0.062317268,0.342418428,-0.067867191,-0.456351491,-0.827446077,0.110159425,0.178805877,0.302594561,2.008863862,0.643239569,1.397726163,2.029972582,1.156134425,0.059871496,0.043392396,0,0.890888186,0.866800299,0.794989966,1.598849524,2.074512812,0.947441732,0.473720866,0,1.527799472,0.980766394,0.589042042,1.216163372,1.13234557,1.608445085,0.804222543,0,0.827957579,0.712249529,1.171517449,2.11781474,2.444632321,0.051047268,0.025523634,0,2.002256055,0.988133822,0.628341307,1.191424325,0.580384416,1.651176165,0.825588083,0,2.080429519,0.972949128,0.67557861,1.242412929,0.521144898,1.563104941,0.78155247,0,0.641450453,0.441991571,0.830147814,2.561914908,3.048999687,0.078915286,0.071741169,0,29.57698318,15.16349159,22.99376125,30.13948318,3.767435397,15.16349261,0.75,3.33E-16,4.16E-17,-28.51055062,3000011.092,375001.3865,11.93130124,29.5999863,15.17389152,23.01077582,30.16083385,3.770104232,15.17389253,0.747796737,2.22E-16,2.78E-17,-28.83492271,3000011.09,375001.3863,11.93130123,50.00638931,24.40470294,38.15826509,49.10865174,6.138581467,24.40470294,-1.196983434,2.22E-16,2.78E-17,-28.83492271,3000010.425,375001.3031,11.93130106,29.62412864,15.18480652,23.02863331,30.18324194,3.772905243,15.18480752,0.745484401,7.77E-16,9.71E-17,-27.83271234,3000011.088,375001.386,11.93130123,71.61928722,34.18620221,54.23974261,69.18412513,8.648015641,34.18620221,-3.246882793,3.33E-16,4.16E-17,-28.51055062,3000010.219,375001.2774,11.931301,31.98659218,16.25299737,24.77735118,32.3761441,4.047018012,16.25299769,0.519402558,3.33E-16,4.16E-17,-28.51055062,3000010.944,375001.368,11.9313012,23.08300835,12.07768887,17.98404824,23.92173851,2.990217314,12.07771814,1.677460317,6.66E-16,8.33E-17,-27.95603288,3000011.747,375001.4684,11.93130141,0,11.89,15.99691842,-0.293624516,0.405698681,3.642620322,5.45098588,7,17,16,16,6,1,1,0,0,1,15.72207,3.496800919,3.112825407,2.841066497,1.975256377,1.854986762,1.029373938,0.897044263,0.083923071,1.6758345,1.632588974,1.044799307,0.852661958,0.669690222,0.083923071,0.083923071,0.083923071,3.294288076,3.095608481,2.754325972,1.92206946,1.807291692,0.625042136,0.571606491,0.270913902,1.687538252,1.574497861,1.185878793,0.758159662,0.63610482,0.270913902,0.270913902,0.270913902,3.558926195,3.310038789,3.014040394,2.317180522,2.198695976,1.245345369,1.198553499,0.943918427,1.410223513,1.303011727,0.864533763,0.304261446,0.19308824,0.943918427,0.943918427,0.943918427,3.255864317,3.11170699,2.716337354,1.950962728,1.842896782,0.463419575,0.453507526,0.399277246,1.715998166,1.538148249,1.221658438,0.699234984,0.581827891,0.399277246,0.399277246,0.399277246,3.556922756,3.38071793,3.044728011,2.438300471,2.322901018,1.209019028,1.208805609,1.207644823,1.383111743,1.230365333,0.855169938,0.172782958,0.06122734,1.207644823,1.207644823,1.207644823,4.79723881,3.391996384,3.312130574,2.623896829,2.384202219,1.652933603,1.398030074,0.576923077,1.439395361,1.401139051,0.625189577,0.500916124,0.209172996,0.576923077,0.576923077,0.576923077,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.034020691,0,0,0,0.40824829,0.552585858,0.288675135,0.048112522,0.065122868,0.034020691,6.405777394,3.808060412,2.682521985,1.562948829,1.129936127,0.288675135,0.144337567,0,0.800722174,0.54400863,0.383217426,0.260491471,0.225987225,0.144337567,0.144337567,0,5.138958434,2.603936267,1.116025404,0.524377395,0.277368927,0.083333333,0.041666667,0,0.642369804,0.371990895,0.159432201,0.087396232,0.055473785,0.041666667,0.041666667,0,9.853536332,18.43117261,17.6745098,18,10.43349102,139.6048383,0.547418685,1.023954034,0.981917211,1,0.57963839,7.755824351,1.1794,28.648,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,61,0,0,3,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.04083333,-0.587962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.070277778,0,0,0,0,0,0,0,0,0,0,0,3.466111111,0,0.747685185,0,0,0,0,0,0,-0.587962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.19861111,8.842222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.421111111,-0.587962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.416736111,0,0,0,0,0,0,0,0,0,0,0,1.733055556,0,0.373842593,0,0,0,0,0,0,-0.587962963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.19861111,4.421111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.19861111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.618402778,0,0,0,0,0,0,0,0,0,0,0,1.733055556,0,0.373842593,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.19861111,4.421111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.66666667,2.833333333,0.788194444,10.19861111,0.376666667,-0.587962963,1.940647037,2.25462963,3.198611111,10.08166667,2.25462963,3.198611111,10.08166667,3.49999,0.4375,0,0.0625,0.60556,0.9875,0.42308,0.60556,0.9875,0.18248,0,-0.18248,0,0.44304,0.27125,0,0.38095,0.14286,0,6.25,0.78125,4.75,0.59375,1.5,0.1875,-3.25,-0.40625,0,0,4.89317,0.61165,8.49821,3.60504,0.45063,2.346,0.29325,3.80805,1.46206,0.18276,0.10595,0.01324,0.10595,0.01324,0,7.03,3,3,3,3,0,0,0.8,1.41526895,1.99107606,2.530493057,2.530493057,2.530493057,2.298830557,25.4748411,35.83936908,45.54887502,45.54887502,45.54887502,41.37895002,0.339399138,0.477484861,0.606843782,0.606843782,0.606843782,0.551288226,2.754656051,2.178848942,1.639431945,1.639431945,1.639431945,1.871094445,0.339399138,0.477484861,0.606843782,0.606843782,0.606843782,0.551288226,13.52582794,21.04693217,21.59057012,21.59057012,21.59057012,18.81062012,30.45091815,22.04292449,22.43057779,22.43057779,22.43057779,21.04060279,8,5.142857143,5,8,4,2,1.68,0.9462,0.166666667,1.788854382,0.666666667,0,0.25,1,0,0,0,0,0,1,0.5,0,0,0,0,0,0,0.003,0.162,0.111,0.328,-0.019,2.829,7,6,5,2,1,0,0,0,0,36,2.197224577,2.302585093,2.197224577,2.079441542,1.098612289,0.693147181,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.571428571,6,0.857142857,0,3,6,1,1.5,0.666666667,0.375,0.08,0.055555556,0,0,0,0,0,0.214285714,0.095238095,0.0625,0.016,0.027777778,0,0,0,0,0,0.415801587,19.54202305,29.63985773,39.0840461,4.885505763,19.54202306,4.44E-16,5.55E-17,-28.28040497,3000010.71,375001.3387,11.93130113,35.53,118.7706032,4,3.36729583,4.007333185,4.709530201,5.370638028,6.084499413,6.751101469,7.467942332,8.135932772,8.853522561,69.74779579,2.708050201,0,3.761200116,0,4.990432587,0,6.304448802,0,7.656810091,7.96241568,118.0629942,6.559055232,14.6584741,1.832309262,8.06398273,8.06398273,0,75,6,1.258,28,1.244470588,2.100404243,2.811223222,3.7293635,4.860744368,5.729789774,6.692070738,7.751743276,0,0,112.6755909,131.5745017,135.3877768,247.5242186,157.0109226,118.0716005,34.1545634,7.87626728,0,0,275.3001734,293.3539808,365.8980986,631.2493175,651.829675,702.1023786,414.336736,240.9532069,0,0,10.13083331,17.50853794,22.34951643,32.39688244,42.42666637,40.50312438,45.94494752,52.07980814,0,0,1.778666516,2.01719883,2.52804128,4.001312966,4.635051282,6.365452667,4.625238834,3.446525096,0,0,185.9297645,350.7122993,480.1839379,606.7976865,830.2510579,903.0655617,1159.062306,1433.434166,0,0,4.529588235,9.423902872,7.967610762,18.45262987,20.00366897,9.958329935,9.15847882,7.751743276,0,0,0.454998529,0.556124034,0.680069404,1.146376943,1.261600162,1.36170576,1.024645796,0.793778511,0,0,370.1161683,331.9807537,17.1410351,165.7043681,-148.6307968,-25.6552676,204.4118003,480.6115506,42.7963027,0.690746515,0.619574524,0.031990254,0.309253485,-0.277389138,-0.047880337,198.3158438,177.8821056,9.184518622,88.78780339,-79.63943327,-13.74661925,0.452283514,0.326238987,3.925743017,9.355952355,443.0141424,92.80639399,0.82679575,0.17320425,619.3521705,24.88678707,8.524048027,716.2225314,26.76233419,8.947107588,1049.305638,32.39298747,10.16172261,2.031019769,2.031019769,635.3157647,573.6120152,75.10391265,1.107570532,8.459156684,7.637578323,4.005051217,4.210482197,8.395865965,0.994039061,2.789027577,3.807603183,4.33551481,9.475049741,5.432571093,3.520472169,0.99872746,10.84662203,1.25E-04,0.372790602,5.837642547,4.638205127,1.108579448,4.007947031,0.046027447,0.676390454,2.82E-16,2.27E-53,3.52E-112,1.05E-192,6.08E-295,0,0,0,0,0,0,0,0,0,0.23409127,4.441720819,0.428749934,5.756120529,0.203149581,3.977654447,1.252806894,1.969195429,7.97E-05,0.041819532,0.258557141,0.190672286,0.908291379,0.043527958,3.31E-04,0.004763873,1.99E-18,1.60E-55,2.48E-114,7.42E-195,4.28E-297,0,0,0,0,0,0,0,0,0,0.755596128,3.262550637,0.850705431,3.515693249,0.588022751,2.792266704,0.685013036,3.123592418,4.91E-05,0.072350911,0.912093471,0.74636349,0.949174179,0.33346842,0.00339636,0.049643232,2.07E-17,1.66E-54,2.58E-113,7.73E-194,4.46E-296,0,0,0,0,0,0,0,0,0,2.632623048,4.439294114,5.081944084,11.65130105,5.414986311,4.166272221,1.309365975,12.16247919,1.46E-04,0.468109939,5.324421091,4.241353094,1.096317862,3.58154337,0.041014506,0.602651717,2.51E-16,2.02E-53,3.14E-112,9.38E-193,5.41E-295,0,0,0,0,0,0,0,0,0,1.113597033,2.814455205,0.968311711,3.169439808,0.916960718,2.354112855,0.471501353,3.59452497,3.93E-05,0.071678143,1.504813553,1.23238724,0.977239019,0.686689029,0.00735991,0.107831735,4.50E-17,3.62E-54,5.61E-113,1.68E-193,9.69E-296,0,0,0,0,0,0,0,0,0,3.368154753,4.207718293,6.151631557,12.4350361,7.926204583,3.983411442,1.211474165,14.45369991,1.69E-04,0.54431578,7.932793357,6.249017704,1.153978686,5.795310827,0.067103592,0.986451908,4.11E-16,3.31E-53,5.13E-112,1.54E-192,8.86E-295,0,0,0,0,0,0,0,0,0,1.670970633,7.396419339,4.272246146,26.29495326,3.118056205,5.053053271,4.406413722,14.35658904,1.78E-04,0.434069746,2.710906295,1.885812142,1.330376641,1.40024359,0.015350465,0.225129959,9.39E-17,7.55E-54,1.17E-112,3.50E-193,2.02E-295,0,0,0,0,0,0,0,0,0,8.008670444,0.709123048,0.369336683,0.881320097,0.078035973,0.643234732,0.404112258,0.444427299,9.087130176,8.898933732,20.08357598,0.821980145,1.491774288,4.802451834,0.580411803,0.056726753,0.882870123,0.10670138,0.231299491,0.270726826,0.010484113,5.43959039,3.092752104,8.69046263,0.824305184,0.51251043,6.651630582,0.547004354,0.182782292,0.901131907,0.0741056,0.44371579,0.240458641,0.108848908,7.381417228,4.954253882,13.00071916,0.85169786,0.793023338,7.54460476,0.722996075,0.340468116,0.876457287,0.083990507,0.570849503,0.420078738,0.377666735,8.608068952,8.269574113,18.73480118,0.814685931,1.368594976,7.535176089,0.553667561,0.254413331,0.903145631,0.066361082,0.569423586,0.246352503,0.210880084,8.343256981,6.229892222,15.63455718,0.854718446,1.026656173,8.060506132,0.737742494,0.387763739,0.877476081,0.080311507,0.651588283,0.437389567,0.489880583,9.186012365,9.358219675,20.85009932,0.816214122,1.578858433,7.685929895,0.737294328,0.347760988,0.876290372,0.084060606,0.592436051,0.436858316,0.394019358,8.770985211,8.596061292,19.33773586,0.814435558,1.423313724 +UMLYSI0401,L,methyl propionate,CCC(=O)OC,saturated esters,C4H8O2,554-12-1,11124,PubChem,,15,0,0.0973,0.00946729,22.4363,13.978344,0,0,14,6,8,0,4,0,2,0,0,0,0,0,0,0,1097.120998,961.876913,1069.067261,864.002968,349.942489,78.738912,9.144576,0,0,2375.519116,2673.115241,2935.667002,2534.682095,1735.322659,874.9221648,279.7536999,0,0,110.613208,102.12374,173.766692,158.543416,128.369188,83.016576,60.466176,0,0,15.99891124,18.50417448,21.41108846,18.29493523,13.16953342,9.348943289,4.001516144,0,0,2357.421212,1938.599079,3667.560883,3355.802647,2559.065585,2028.241198,1664.258868,0,0,82.27777778,45,76.25,75,65,18,9,0,0,78.36578557,73.99053177,48.59396641,43.2001484,23.32949927,6.561576,1.016064,0,0,169.6799369,205.6242493,133.4394092,126.7341048,115.6881773,72.9101804,31.08374443,0,0,7.900943429,7.855672308,7.898486,7.9271708,8.557945867,6.918048,6.718464,0,0,1.142779374,1.423398037,0.973231294,0.914746762,0.877968895,0.779078607,0.444612905,0,0,168.3872294,149.1230061,166.7073129,167.7901323,170.6043723,169.0200999,184.917652,0,0,5.876984127,3.461538462,3.465909091,3.75,4.333333333,1.5,1,0,0,0.259516791,-0.155263663,0.041822124,0.044516062,-0.078083375,0.005969168,0.011281289,0,0,542.6447669,-9.890012082,100.6834265,-19.72718322,-580.0837691,-13.71305131,251.4082057,0,0,629.6301992,-143.8356513,47.45225262,-18.79346746,-352.883916,-128.1804442,281.4261267,0,0,1.814294857,-0.039616653,0.498301796,-0.506038367,-1.483339918,0.27880898,0.344736735,0,0,2.75181886,-1.091395773,0.082060323,-0.38035597,-0.110316075,-0.718327743,0.842425808,0,0,15.67280268,-6.74289231,0.449257964,-2.838119433,1.334482515,-4.022026681,3.982896608,0,0,35.22222222,-1.138888889,7.805555556,-4.444444444,-29.41666667,3.333333333,6.25,0,0,0.018536914,-0.011943359,0.001901006,0.002225803,-0.005205558,4.97E-04,0.001253477,0,0,38.76034049,-0.76077016,4.576519387,-0.986359161,-38.67225127,-1.142754276,27.93424508,0,0,44.97358566,-11.06428087,2.156920574,-0.939673373,-23.5255944,-10.68170368,31.26956963,0,0,0.12959249,-0.003047435,0.022650082,-0.025301918,-0.098889328,0.023234082,0.038304082,0,0,0.19655849,-0.083953521,0.003730015,-0.019017798,-0.007354405,-0.059860645,0.093602868,0,0,1.119485906,-0.518684024,0.020420817,-0.141905972,0.088965501,-0.33516889,0.442544068,0,0,2.515873016,-0.087606838,0.35479798,-0.222222222,-1.961111111,0.277777778,0.694444444,0,0,-0.644301363,0.102552434,0.120074094,-0.2808212,0.0268346,0.067620566,0,0,-0.019627541,0.118072218,-0.025447639,-0.997727336,-0.029482565,0.720691427,0,0,-0.246017317,0.04795972,-0.020893895,-0.523098038,-0.237510608,0.695287449,0,0,-0.023515521,0.174779277,-0.195242166,-0.763079157,0.179285711,0.295573314,0,0,-0.427117246,0.018976614,-0.09675389,-0.03741586,-0.304543677,0.476208723,0,0,-0.463323407,0.018241245,-0.126759945,0.079469961,-0.299395364,0.395310084,0,0,-0.034821645,0.141023803,-0.088328076,-0.779495268,0.110410095,0.276025237,0,0,1.592213947,1.017242498,1.184256068,1.537247917,0.081482807,0.022249992,0,0,0.936377319,0.845814835,1.002007937,2.098531252,0.725086748,0,0,0,1.512288748,0.889291962,0.922870842,1.291584136,1.162053686,0,0,0,0.73392701,0.846561503,1.276692039,2.452730464,0.042483172,0,0,0,1.873609202,0.92407138,0.988757293,0.818324789,1.188624358,0,0,0,1.9272959,0.931024609,1.026044306,0.755862052,1.133649584,0,0,0,0.579652997,0.579724692,1.288722397,2.92192429,0.092271293,0,0,0,16.84482656,8.672413282,13.31549084,17.1781599,2.86302665,8.672934834,0.5,0.133214073,0.022202346,-1.209478723,22.86681258,3.811135429,1.877811976,16.85360492,8.676068039,13.32059379,17.18595902,2.864326504,8.676587428,0.498531158,0.132799173,0.022133196,-1.211350361,22.90570076,3.817616793,1.878831493,24.74739797,11.97470451,18.49573751,24.21540534,4.03590089,11.97471859,-0.797988956,0.151093018,0.02518217,-1.13391577,20.66321254,3.443868757,1.817012968,16.8628184,8.679904002,13.32595152,17.1941448,2.865690801,8.680421132,0.4969896,0.132363802,0.022060634,-1.213320645,22.94676112,3.824460187,1.879906079,33.24553223,15.54047185,24.70986314,31.80247321,5.300412201,15.54047219,-2.164588529,0.271683892,0.045280649,-0.781869631,15.88825803,2.648043005,1.659348209,17.76624984,9.056259107,13.86044229,17.99709542,2.999515904,9.056597068,0.346268372,0.090258553,0.015043092,-1.443046149,28.6826222,4.780437034,2.013774865,15.93749662,8.304584873,13.350791,16.32105964,2.720176607,8.305558507,1.171031746,0.304519378,0.05075323,-0.713412333,15.26878312,2.544797186,1.635486255,0,11.99646145,15.99825808,-0.349591383,0.260933662,3.721745793,5.837632878,5,13,12,12,4,1,1,0,0,1,11.619656,3.491184514,2.843692501,2.472417101,1.566227225,1.086901157,0.083923071,0.083923071,0.083923071,1.721008305,1.421276567,0.991033255,0.411277213,0.083923071,0.083923071,0.083923071,0.083923071,3.369235282,2.796939521,2.395743982,1.580330101,0.634217994,0.270913902,0.270913902,0.270913902,1.713849311,1.382240729,0.975940622,0.462096304,0.270913902,0.270913902,0.270913902,0.270913902,3.571660511,3.079780277,2.698521265,2.009311895,1.255950854,0.943918427,0.943918427,0.943918427,1.482189103,1.037123955,0.623266263,0.020435362,0.943918427,0.943918427,0.943918427,0.943918427,3.351278178,2.800021471,2.394081234,1.61281016,0.465144215,0.399277246,0.399277246,0.399277246,1.722096696,1.350722656,0.966009702,0.426195424,0.399277246,0.399277246,0.399277246,0.399277246,3.587219972,3.157015607,2.762687318,2.14579613,1.209058028,1.207644823,1.207644823,1.207644823,1.450238036,0.959431391,0.554929788,0.144528775,1.207644823,1.207644823,1.207644823,1.207644823,4.674306668,3.222568263,3.066187958,2.038257895,1.69867195,0.558139535,0.558139535,0.558139535,1.536117878,1.09149812,0.648340875,0.11084786,0.558139535,0.558139535,0.558139535,0.558139535,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.058925565,0,0,0,0.577350269,0.288675135,0,0.11785113,0.058925565,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.023603362,1.877156753,0.929686004,0.516346035,0.144337567,0,0,0,0.67060056,0.375431351,0.185937201,0.129086509,0.144337567,0,0,0,7.596909424,14.21267298,13.6,13.84,8.154697006,108.4220623,0.542636387,1.015190927,0.971428571,0.988571429,0.582478358,7.74443302,0.5694,22.307,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,29,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.21875,-0.157407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.880902778,0.5125,0,0,0,0,0,0,0,0,0,0,3.136574074,0,0.46875,0,0,0,0,0,0,-0.157407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.958333333,4.260416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.260416667,-0.157407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.368402778,0.5125,0,0,0,0,0,0,0,0,0,0,1.380787037,0,0.46875,0,0,0,0,0,0,-0.157407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.958333333,4.260416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.958333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0.5125,0,0,0,0,0,0,0,0,0,0,1.755787037,0,0.46875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.958333333,4.260416667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.66666667,2.944444444,0.677083333,9.958333333,0.368402778,-0.157407407,1.603131944,1.824074074,2.958333333,7.4375,1.824074074,2.958333333,7.4375,2.66666,0.44444,0,0.05556,0.58095,0.95556,0.42,0.58095,0.95556,0.16095,0,-0.16095,0,0.46511,0.24918,0,0.5,0.1875,0,4.75,0.79167,3.25,0.54167,1.5,0.25,-1.75,-0.29167,0,0,3.20645,0.53441,5.73058,2.52412,0.42069,1.68293,0.28049,2.80805,1.12513,0.18752,0.10595,0.01766,0.10595,0.01766,0,5.02,2,2,2,2,0,0,0.75,1.378783493,2.093069208,2.985228136,2.985228136,2.713274213,1.754555301,19.30296891,29.30296891,41.7931939,41.7931939,37.98583898,24.56377422,0.362136843,0.549743654,0.784068782,0.784068782,0.71264021,0.460833134,2.428571429,1.714285714,0.822126786,0.822126786,1.094080709,2.052799621,0.362136843,0.549743654,0.784068782,0.784068782,0.71264021,0.460833134,13.07637292,22.21850358,23.11764368,23.11764368,19.8541966,6.176704253,22.5008675,14.56892228,14.53762001,14.53762001,12.90589647,8.472071529,6,3.2,3,6,3,3,1.68,0.7466,0.25,1.154700538,1,0,0,1,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,2.36,5,4,1,0,0,0,0,0,0,21,1.945910149,2.079441542,1.945910149,0.693147181,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,26.3,92.6843919,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,88.0524295,6.28945925,10.6758508,1.779308466,5.017663252,5.017663252,0,31,4,0.494,20,1.221846154,2.078620474,2.842057272,3.629694609,4.71155246,5.444056579,0,0,0,0,100.2979812,111.9518404,131.4529782,93.30503426,32.96430224,5.531509904,0,0,0,0,269.2995502,297.2583575,378.8899162,447.8587699,358.9752041,169.2216634,0,0,0,0,9.680924144,16.58534257,22.61430769,30.65729937,32.6684933,36.57569814,0,0,0,0,1.819896743,2.120145067,2.697173113,3.412615336,3.794256375,2.42049781,0,0,0,0,181.018701,343.5473781,474.3687247,611.4435993,790.4728472,1006.70216,0,0,0,0,4.365294872,7.692061907,10.78602608,14.59707738,7.252081035,5.444056579,0,0,0,0,0.441346154,0.546704777,0.715627629,0.901882974,0.832039704,0.557471394,0,0,0,0,383.5404883,245.8128978,20.11256977,128.7064859,-82.48859046,-21.09305527,254.8340024,328.3014883,41.20562504,0.748741345,0.47987184,0.039263423,0.251258655,-0.161032851,-0.041177511,196.4674546,125.9169131,10.30260301,65.92950795,-42.25453087,-10.80485374,0.407104275,0.497669667,12.40599116,9.425089605,420.4297564,91.81721773,0.820755959,0.179244041,461.8214523,21.49003146,7.729618049,539.317741,23.22321556,8.139821894,720.0883474,26.83446194,8.963176071,1.756830069,1.743781068,264.4061711,219.6641124,54.81298879,1.203683971,4.823786787,4.007519335,3.240173433,3.18658557,6.151045123,0.930293409,2.244430485,2.395993765,5.044112166,2.829330542,4.181428964,2.471309725,1.183743937,2.57750786,0.041975705,0.680189986,0.601639077,1.03E-05,1.00E-31,1.88E-79,6.79E-149,4.73E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.204867018,2.547043108,0.512712984,1.735491182,0.259737242,1.182480954,0.046732167,0.190227767,3.77E-04,0.056899781,0.004237393,7.25E-08,7.05E-34,1.32E-81,4.78E-151,3.33E-242,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.613918271,2.265954817,0.980952692,1.490113055,0.791350231,1.138923246,0.185131701,0.591499395,0.003157538,0.183800573,0.044156904,7.56E-07,7.35E-33,1.38E-80,4.98E-150,3.47E-241,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.123674396,2.546566734,6.021783617,3.355615937,4.095035321,2.958748834,1.08190223,2.402918728,0.037408805,0.641917269,0.536049586,9.17E-06,8.92E-32,1.67E-79,6.05E-149,4.22E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.897220834,2.159145722,1.078876216,1.370440643,1.173041474,1.071811097,0.307726284,0.891997144,0.006761858,0.271010792,0.095914697,1.64E-06,1.60E-32,2.99E-80,1.08E-149,7.55E-241,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.710497886,2.491427638,7.217424868,3.589401111,5.594611674,3.243415466,1.602051208,3.266368996,0.061178736,0.822027589,0.877434051,1.50E-05,1.46E-31,2.74E-79,9.90E-149,6.90E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.35129417,2.626028146,6.734814864,4.629959428,3.066644693,4.552050137,0.517699399,1.428224249,0.013154347,0.423040244,0.187422449,3.21E-06,3.12E-32,5.85E-80,2.11E-149,1.47E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.196161533,0.677754227,0.35688345,0.802202754,0.129569918,0.6115397,0.445999878,0.428556793,5.23079921,4.583386087,10.82914977,0.703304131,1.486096371,2.477193395,0.575285397,0.057162273,0.796617148,0.185000579,0.212310419,0.304090694,0.010994476,3.109641065,1.599579812,4.790682444,0.694925721,0.527395589,3.356121799,0.529165311,0.178175829,0.825926519,0.130225209,0.39066768,0.269298878,0.106820139,4.063462939,2.468207485,6.848100581,0.738889778,0.766786697,3.995748204,0.69649971,0.331828088,0.795320015,0.138632399,0.554129124,0.468859596,0.370494578,5.024076003,4.340057123,10.28762313,0.692980023,1.393483297,3.784748061,0.528816347,0.244636456,0.830316209,0.11601427,0.497490603,0.271483515,0.20137146,4.558200863,3.056691752,8.104516982,0.745474313,0.970345578,4.25591598,0.705718491,0.375240317,0.797454718,0.13223441,0.629053053,0.483434183,0.473777635,5.336874787,4.865283894,11.32918495,0.696182077,1.586264871,4.032604846,0.701979314,0.336194554,0.795263425,0.138436196,0.564727411,0.47809702,0.380309273,5.070778714,4.422546595,10.4450266,0.692895137,1.423133704 +UMLYSI0402,L,2-(2-methoxyethoxy)-ethanol,COCCOCCO,other multi-oxygen compounds,C5H12O3,111-77-3,8134,PubChem,,15,0,-0.6198,0.38415204,30.3483,19.207516,0,0,20,8,12,0,5,0,3,0,0,0,0,0,0,0,1501.417376,1398.653147,1350.65735,1204.975821,906.467992,716.241379,543.479002,276.954933,66.584448,3139.761773,3704.797725,4210.317507,3817.644912,3278.299985,2611.926824,1842.884366,1207.09617,547.2799748,158.379296,153.015572,270.487352,263.455284,220.26412,223.553116,141.79348,108.840924,75.84192,21.20946686,25.0582554,29.95179697,29.51282404,27.15311887,21.00325812,14.92011923,10.99873277,5.385525697,3409.337462,2889.837656,5576.515563,5613.161851,4981.613563,5084.230817,3081.223947,2583.48156,1818.18129,85.5,60.25,94,99.75,59.5,68.25,59,32,26,75.0708688,73.61332353,40.92901061,36.51441882,30.21559973,24.69797859,30.19327789,18.4636622,6.6584448,156.9880886,194.9893539,127.585379,115.6862095,109.2766662,90.06644221,102.3824648,80.473078,54.72799748,7.9189648,8.053451158,8.196586424,7.983493455,7.342137333,7.708728138,7.877415556,7.2560616,7.584192,1.060473343,1.318855547,0.907630211,0.894328001,0.905103962,0.72425028,0.828895513,0.733248852,0.53855257,170.4668731,152.0967187,168.9853201,170.0958137,166.0537854,175.318304,171.1791082,172.232104,181.818129,4.275,3.171052632,2.848484848,3.022727273,1.983333333,2.353448276,3.277777778,2.133333333,2.6,0.542135853,-0.154433729,-0.269214598,0.22315592,-0.037413318,-0.124079828,0.130160426,-0.036263296,-0.036135843,779.6402808,-8.09610656,-332.6149285,-142.0262351,75.7887496,6.19433304,-94.05512152,59.9135784,-29.9064108,851.4238145,-183.6259932,-144.0221098,-83.0623541,-147.1258531,147.2409308,-114.7532563,-24.13422316,45.08769658,2.7196152,-0.26106164,-1.67605068,0.60981332,0.2995492,-0.67929084,0.35173592,0.1475262,-0.2694036,3.617246534,-1.571673585,-0.192525953,0.689806801,-1.423825449,0.63135606,-0.048079915,-0.467088684,0.352949806,20.57066884,-9.997210535,-1.033648359,5.943050673,-8.954762439,3.048509962,0.745447585,-3.108360849,2.056882356,31.05,-3.5225,-14.1575,3.1425,4.225,-6.2475,2.405,3.5375,-6.175,0.027106793,-0.008128091,-0.008158018,0.006762301,-0.001247111,-0.004278615,0.007231135,-0.002417553,-0.003613584,38.98201404,-0.426110872,-10.07924026,-4.303825307,2.526291653,0.213597691,-5.225284529,3.99423856,-2.99064108,42.57119072,-9.664525959,-4.364306357,-2.517041033,-4.904195103,5.077273477,-6.375180905,-1.608948211,4.508769658,0.13598076,-0.013740086,-0.050789415,0.018479192,0.009984973,-0.023423822,0.019540884,0.00983508,-0.02694036,0.180862327,-0.082719662,-0.00583412,0.020903236,-0.047460848,0.021770899,-0.002671106,-0.031139246,0.035294981,1.028533442,-0.526168976,-0.031322678,0.180092445,-0.298492081,0.105121033,0.041413755,-0.207224057,0.205688236,1.5525,-0.185394737,-0.429015152,0.095227273,0.140833333,-0.215431034,0.133611111,0.235833333,-0.6175,-0.299854398,-0.300958444,0.249468858,-0.04600731,-0.1578429,0.266764678,-0.089186246,-0.133309179,-0.010930961,-0.258561301,-0.110405412,0.064806596,0.005479391,-0.134043473,0.102463627,-0.076718486,-0.227020335,-0.102517836,-0.059125455,-0.115199857,0.11926548,-0.149753408,-0.037794297,0.105911288,-0.101044341,-0.373504417,0.135895633,0.07342931,-0.172258355,0.143703304,0.072326997,-0.19811891,-0.457362591,-0.032257242,0.115575404,-0.262414231,0.120372766,-0.014768727,-0.172170989,0.195148327,-0.511572064,-0.030453728,0.175096343,-0.290211352,0.102204779,0.04026486,-0.201475274,0.199982059,-0.1194169,-0.276338262,0.061338018,0.090713902,-0.138763951,0.086061907,0.151905529,-0.397745572,1.249290693,1.568739622,0.860699394,0.573147784,1.078420808,0.841164077,0.679471378,1.099187115,1.049187003,1.338604698,1.110875832,0.749912339,0.928693747,1.100258526,0.687210992,0.969028228,1.604425513,1.042022169,0.986906431,1.157972925,0.684343318,1.044215465,0.925004549,0.530518088,1.013202162,1.684920274,0.980187286,0.455219645,1.163868406,0.90310742,0.482260284,1.190199849,2.053505053,0.97671601,0.812602499,1.344850295,0.60377313,0.891728912,1.016175331,0.27872132,2.137299229,0.999809332,0.765116947,1.350788105,0.612396284,0.841620751,1.012744134,0.252527651,1.038647343,1.307275655,0.908602938,0.382447665,1.128880004,1.223832528,0.50993022,2.325281804,35.66406202,18.20703101,29.07957759,36.22656202,4.528320253,18.20703106,0.75,0.013600474,0.001700059,-3.438120498,34.7318254,4.341478174,2.83812514,35.68756441,18.21768058,29.09682957,36.24841197,4.531051496,18.21768062,0.747796737,0.013552234,0.001694029,-3.440963089,34.72334314,4.340417892,2.837929739,56.47696554,27.63999105,44.43668925,55.57922797,6.947403496,27.63999105,-1.196983434,0.014032979,0.001754122,-3.413076065,31.2369999,3.904624988,2.753282629,35.71223049,18.22885745,29.1149361,36.27134379,4.533917974,18.22885749,0.745484401,0.013501669,0.001687709,-3.443953575,34.71446391,4.339307988,2.837725142,78.43591778,37.59451749,60.7184566,76.00075568,9.50009446,37.59451749,-3.246882793,0.02765888,0.00345736,-2.870246754,30.21084272,3.77635534,2.726560712,38.12475101,19.32207678,30.88746431,38.51430293,4.814287866,19.3220768,0.519402558,0.008851235,0.001106404,-3.781758594,33.94689291,4.243361613,2.819837864,28.09657011,14.75990768,23.73185873,29.08172013,3.635215016,14.75990971,1.752380952,0.029426532,0.003678316,-2.820686853,42.49314954,5.311643692,2.9994743,0,11.9964005,15.99870153,-0.418339748,0.092207444,3.703434854,5.891579327,7,19,19,19,7,0,0,0,0,0,16.950484,3.413938264,3.151867226,2.724136169,2.252173985,1.767557124,1.25882425,0.79861779,0.687804139,1.69057241,1.542251065,1.340325599,0.865434025,0.727780881,0.388929623,0.083923071,0.083923071,3.304464856,3.066504735,2.661725029,2.110601785,1.744269554,1.19119657,0.520150541,0.495966834,1.714908266,1.53475288,1.270271795,0.851669755,0.623435777,0.329960706,0.270913902,0.270913902,3.540987926,3.313328031,2.952096054,2.513669082,2.149954874,1.764660752,1.154625362,1.133935159,1.443434002,1.242671244,0.928032154,0.394755022,0.150419868,0.291553957,0.943918427,0.943918427,3.285929573,3.061784643,2.677206333,2.092029923,1.779972352,1.206185845,0.443663561,0.439967181,1.724501393,1.529295927,1.23161253,0.841592079,0.556924777,0.266430671,0.399277246,0.399277246,3.56898952,3.358624469,3.033031336,2.584827395,2.284312729,1.925220169,1.208594559,1.208515408,1.407066571,1.18866125,0.836258452,0.310133303,0.009297668,0.453328817,1.207644823,1.207644823,4.409962448,3.699410781,3.380462026,2.738428516,2.254519251,1.79116841,1.426117538,1.270345813,1.453664151,1.278510321,0.94415256,0.440803279,0.322562255,0.344277782,0.625,0.625,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6.242640687,3.914213562,2.414213562,1.457106781,0.853553391,0.478553391,0.25,0.125,0.780330086,0.559173366,0.402368927,0.291421356,0.213388348,0.159517797,0.125,0.125,5.092137301,2.59050146,1.328778513,0.667419706,0.308870693,0.146235778,0.060300566,0.0186339,0.636517163,0.370071637,0.221463086,0.133483941,0.077217673,0.048745259,0.030150283,0.0186339,10.39536414,20.31900947,19.4,19.76,11.23204551,155.8903988,0.519768207,1.015950473,0.97,0.988,0.561602275,7.79451994,-0.3583,29.7808,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,74,1,0,3,0,0,1,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,1,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.755486111,0,17.72972222,0,0,3.662743567,0,0,3.537002668,0,0,0,0,0.755486111,0,0,0,0,0,0,0,0,0,0,0,0,0,2.38,0,0,0,0,0,0,0,0,0,0,0,1.613398526,0,1.656879252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.199770408,0,9.529951814,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.755486111,0,4.68175737,0,0,3.662743567,0,0,3.537002668,0,0,0,0,0.755486111,0,0,0,0,0,0,0,0,0,0,0,0,0,0.588888889,0,0,0,0,0,0,0,0,0,0,0,1.613398526,0,0.087018141,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.199770408,0,4.68175737,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.755486111,0,8.199770408,0,0,3.662743567,0,0,3.537002668,0,0,0,0,0.755486111,0,0,0,0,0,0,0,0,0,0,0,0,0,0.601111111,0,0,0,0,0,0,0,0,0,0,0,1.613398526,0,0.597222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.199770408,0,4.848194444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,21,2.625,0.755486111,8.199770408,0.237777778,0.087018141,1.495603963,1.412981859,2.199770408,9.459444444,1.412981859,2.199770408,9.459444444,3.49999,0.4375,0,0.0625,0.575,0.9875,0.42308,0.575,0.91111,0.15192,0,-0.15192,0.07639,0.44304,0.27125,0,0.23809,0,0,4.75,0.59375,4.75,0.59375,0,0,-4.75,-0.59375,0,0,5.07442,0.6343,7.95768,2.88326,0.36041,2.50096,0.31262,3.91421,1.41326,0.17666,-2.10E-04,-3.00E-05,-2.10E-04,-3.00E-05,0,7.03,3,3,3,3,1,1,1,1.352724196,1.919240705,2.646439345,3.00869497,3.18418372,2.941446071,27.05448391,38.38481409,52.92878689,60.17389939,63.6836744,58.82892142,0.312990907,0.444070485,0.612328407,0.696146466,0.736750739,0.680586536,2.969203899,2.40268739,1.67548875,1.313233125,1.137744375,1.380482024,0.318443333,0.451806369,0.62299541,0.708273613,0.749585229,0.692442623,13.01226907,17.63149587,21.64663604,22.02712764,21.10477209,20.86013502,30.15922842,24.91988956,20.8471785,20.1585598,20.94710668,21.55108655,8,7,7.2,8,0,2,1.68,0.9892,0,1.092048345,0,0,2.941682753,0,0,0,0,0,0,0.471404521,0.333333333,0,0,0,0,0,0,0.259,0.807,0.827,0.752,0.262,3.767,6,5,4,3,2,1,0,0,0,36,2.079441542,1.945910149,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,3.610917913,1,0.428571429,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5,0.714285714,7,1,0,4,7,0.75,0.5,0.222222222,0.125,0.08,0.055555556,0.040816327,0,0,0,0,0.071428571,0.037037037,0.025,0.02,0.018518519,0.020408163,0,0,0,0,0.19239229,21.83635335,34.97342453,43.67270669,5.459088337,21.83635335,2.78E-16,3.47E-17,-28.65640787,32.71629294,4.089536617,2.790298567,38.69,121.4070619,4,3.295836866,3.891820298,4.510859507,5.129898715,5.758901774,6.385194399,7.016609684,7.645397699,8.277157772,66.91167671,2.708050201,0,3.663561646,0,4.762173935,0,5.926926026,0,7.126890809,7.492760301,120.0786442,6.003932212,14.83110795,1.853888494,7.995860387,7.995860387,0,84,5,-0.879,26,1.223210526,2.080645054,2.801488706,3.505448613,4.698051829,5.74675735,6.770624485,7.801507891,8.375344341,0,102.627199,93.1812301,123.0968596,135.0381649,138.0585251,203.0198603,144.101571,55.3245822,8.509885873,0,257.5865014,279.9707154,352.3749014,445.3436372,463.6731143,640.6990878,582.3166666,439.2260596,260.337063,0,9.966786706,17.1522602,22.60598506,26.2235611,36.61912911,46.05471346,49.48507393,59.75286297,56.26944944,0,1.685296696,1.956667273,2.625287028,3.496489414,3.579857331,5.013512045,5.148401369,4.233113078,3.723786177,0,184.7513306,349.2257763,474.9901149,570.0882204,818.3213911,976.5304164,1158.368338,1417.908386,1548.74901,0,4.055421053,6.096294614,9.145542805,7.795333714,11.73398008,20.71851952,15.53943361,21.35123552,8.375344341,0,0.432074558,0.534804254,0.675140602,0.853425227,0.959994757,1.303046213,1.275786642,1.169965605,0.857635261,0,389.0692986,447.7692474,23.30040136,100.0177727,-115.1077275,-38.54835573,289.051526,562.8769749,61.8487571,0.795501091,0.915520515,0.0476406,0.204498909,-0.235352219,-0.078816959,190.2887638,218.9981498,11.39592506,48.91739951,-56.29770132,-18.85350241,0.18232458,0.341806294,3.238814711,13.03416769,371.3052939,117.7817774,0.75918035,0.24081965,612.5626328,24.75000268,8.492785726,737.1509618,27.15052415,9.033418808,940.8202549,30.6727934,9.798709586,2.969969521,2.969969521,914.2905543,891.4868896,39.49144558,1.025579361,23.1516102,22.57417718,4.080099129,4.610697771,8.762533284,0.900478782,3.782243881,3.810879629,10.60159251,10.39292374,4.284038307,4.383914478,6.894687941,6.262001968,1.504964236,0.028927836,5.553983729,2.629415792,2.601028083,0.600622579,3.290487319,0.997309075,0.007112591,4.80E-24,6.26E-67,1.57E-131,7.62E-218,0,0,0,0,0,0,0,0,0,0.337323049,4.446053849,1.067742462,1.322602252,0.183931793,3.364559643,0.480529722,1.295170748,0.096616659,0.003179521,1.31627896,0.120559884,2.594338348,0.036480105,0.394736668,0.0072396,7.95E-04,5.37E-25,7.00E-68,1.76E-132,8.52E-219,0,0,0,0,0,0,0,0,0,0.969469468,3.264877544,2.00295288,2.317471351,0.709450021,1.97431723,1.61584467,1.157332197,0.330646442,0.006050107,1.37682244,0.454568623,1.587662447,0.126938454,0.646137286,0.073442404,0.001377339,9.30E-25,1.21E-67,3.05E-132,1.48E-218,0,0,0,0,0,0,0,0,0,3.793087908,4.443643585,12.7262893,10.03866592,3.922894145,5.225480807,6.440479592,6.155354774,1.400337467,0.034795615,5.634702021,2.414160437,3.260168425,0.557349852,3.394310994,0.889326766,0.008933657,6.03E-24,7.86E-67,1.98E-131,9.57E-218,0,0,0,0,0,0,0,0,0,1.361918583,2.816021181,2.16774403,3.213551323,1.162656914,1.778200515,2.446852574,1.386949909,0.507043041,0.006627598,1.620238163,0.736397223,1.431739831,0.196367779,0.840650915,0.159059642,0.001363828,9.21E-25,1.20E-67,3.02E-132,1.46E-218,0,0,0,0,0,0,0,0,0,4.748237438,4.211686584,15.28211465,13.60280369,5.746372794,5.861166672,8.646289455,8.82251686,1.915788582,0.040980281,7.432789987,3.503261916,3.185022247,0.770761452,4.515134658,1.454485314,0.010388002,7.02E-24,9.14E-67,2.30E-131,1.11E-217,0,0,0,0,0,0,0,0,0,3.635248784,6.414202162,14.5402391,7.447808585,2.06414325,10.13201111,4.09588985,5.086716628,0.80716977,0.035738711,5.748079814,1.289109707,9.154042781,0.316548561,4.154755305,0.393549526,0.016670021,1.13E-23,1.47E-66,3.69E-131,1.79E-217,0,0,0,0,0,0,0,0,0,7.901938716,0.673209374,0.413955308,0.879057495,0.074891715,0.580504314,0.565556527,0.499987563,8.989103397,8.869387277,20.06059184,0.818586243,1.646048403,7.41640069,0.260110416,0.069458826,0.957452812,0.033580096,0.513327542,0.082076081,0.014076905,7.745969932,2.462284515,10.34224629,0.936179217,0.609480527,7.394482265,0.439926912,0.215762038,0.918549689,0.054648144,0.508620476,0.243862804,0.135832083,8.050171215,4.943399837,13.69545181,0.877824533,0.888315363,7.922793543,0.640446016,0.384605404,0.885441531,0.071575448,0.583518015,0.51502023,0.43160161,8.947844964,8.367589776,19.26696932,0.828162296,1.530139854,7.452758352,0.532338381,0.294306028,0.900156517,0.064296713,0.516356947,0.357207144,0.252726397,8.279402761,6.317451418,15.76448077,0.850234775,1.126290488,7.980586023,0.694925,0.432450892,0.876220838,0.076298628,0.592144573,0.601434139,0.545664731,9.107961915,9.297641218,20.80393631,0.814331257,1.739243444,8.024888468,0.647372989,0.393015934,0.885233636,0.071412375,0.598670454,0.524816174,0.450684485,9.065277391,8.603432967,19.71046588,0.827850454,1.574171113 +UMLYSI0403,L,"1,1-dimethoxy-2-propanone",CC(=O)C(OC)OC,other multi-oxygen compounds,C5H10O3,6342-56-9,80650,PubChem,,14.8,0,-0.2199,0.04835601,28.5978,17.87393,0,0,18,8,10,0,5,0,3,0,0,0,0,0,0,0,1499.385248,1370.419067,1644.005184,1778.913224,1092.431349,314.689536,27.433728,0,0,3077.594284,3508.047478,4092.668701,4195.627285,3828.346675,2557.340878,839.2610996,0,0,144.942368,136.426772,240.814848,205.216256,259.5153,184.944384,181.398528,0,0,20.32024105,23.4099431,27.10110127,27.72317166,28.14537784,23.2524055,12.00454843,0,0,3039.502158,2551.530831,4937.43094,3816.072277,5492.2752,3867.311519,4992.776605,0,0,100.0555556,59.88888889,98.91666667,129.6666667,101,78,27,0,0,83.29918044,80.61288629,56.68983393,74.12138433,34.13847966,13.112064,1.016064,0,0,170.9774602,206.355734,141.1265069,174.8178035,119.6358336,106.5558699,31.08374443,0,0,8.052353778,8.025104235,8.303960276,8.550677333,8.109853125,7.706016,6.718464,0,0,1.12890228,1.377055476,0.934520734,1.155132153,0.879543057,0.968850229,0.444612905,0,0,168.861231,150.0900489,170.2562393,159.0030115,171.6336,161.13798,184.917652,0,0,5.558641975,3.522875817,3.41091954,5.402777778,3.15625,3.25,1,0,0,0.443822589,-0.159091229,-0.179262561,0.232352144,-0.097178001,-0.073265937,0.05453429,0,0,724.0980578,13.77221954,121.0459816,-129.7498753,-341.0056737,-859.2450264,833.1333453,0,0,793.1399219,-196.0811423,323.0575559,-388.83579,62.62411769,-1071.593091,874.2583886,0,0,2.632671111,-0.12377916,-0.487547012,0.638802963,-1.797580198,-0.850393481,1.304161333,0,0,3.453944568,-1.711488211,1.410578593,-1.762746208,1.393186385,-3.506032326,2.449529482,0,0,19.81899686,-10.84089604,7.352155898,-9.293368008,8.696246052,-17.09871616,11.27507984,0,0,39.55555556,-2.75,-4.055555556,4.388888889,-7.777777778,-28.33333333,18.75,0,0,0.02465681,-0.009358308,-0.006181468,0.009681339,-0.003036813,-0.003052747,0.002019789,0,0,40.22766988,0.810130561,4.173999365,-5.406244802,-10.6564273,-35.8018761,30.85679057,0,0,44.063329,-11.53418484,11.13991572,-16.20149125,1.957003678,-44.64971212,32.37994032,0,0,0.146259506,-0.007281127,-0.016811966,0.02661679,-0.056174381,-0.035433062,0.048302272,0,0,0.191885809,-0.100675777,0.048640641,-0.073447759,0.043537075,-0.14608468,0.090723314,0,0,1.101055381,-0.637699767,0.253522617,-0.387223667,0.271757689,-0.712446507,0.417595549,0,0,2.197530864,-0.161764706,-0.139846743,0.18287037,-0.243055556,-1.180555556,0.694444444,0,0,-0.379542504,-0.250700212,0.39264362,-0.123163234,-0.123809501,0.08191605,0,0,0.02013864,0.103759412,-0.134391199,-0.264902922,-0.889981354,0.767053888,0,0,-0.261763809,0.252816026,-0.367686501,0.044413432,-1.013307735,0.734850068,0,0,-0.049782249,-0.114946142,0.181983317,-0.384073368,-0.242261598,0.330250476,0,0,-0.524665047,0.253487433,-0.382768058,0.226890538,-0.761310494,0.472798455,0,0,-0.579171383,0.230254192,-0.351684097,0.246815641,-0.647057831,0.379268433,0,0,-0.073612029,-0.063638125,0.083216292,-0.110603933,-0.537219101,0.316011236,0,0,1.380167131,1.63668341,1.07520691,1.311914822,0.588466355,0.006070638,0,0,0.890888186,0.949510888,1.181371797,1.267404534,1.725384036,0,0,0,1.527799472,0.630405821,1.416913607,0.810810044,2.033074674,0,0,0,0.827957579,1.382253043,1.08884192,1.546260985,0.967784388,0,0,0,2.002256055,0.609777024,1.554903896,0.59714788,1.868820321,0,0,0,2.080429519,0.652294167,1.569713775,0.58869419,1.758534277,0,0,0,0.653089888,0.866548818,1.627077481,0.857312149,2.095154494,0,0,0,27.00437094,13.87718547,19.55800004,27.56687094,3.445858867,13.87718905,0.75,1.13E-04,1.41E-05,-7.272758568,29.12891171,3.641113964,2.697384968,27.02200369,13.88490022,19.56751364,27.58285125,3.447856406,13.88490377,0.747796737,5.19E-04,6.49E-05,-6.050492168,29.15071841,3.643839801,2.697983646,42.84682436,20.82492046,28.4402567,41.94908679,5.243635848,20.82492047,-1.196983434,0.25696535,0.032120669,-1.087051222,34.7592051,4.344900637,2.838755545,27.04051041,13.89299741,19.5775,27.59962371,3.449952964,13.89300093,0.745484401,9.46E-04,1.18E-04,-5.570937956,29.17368558,3.646710698,2.698613699,59.81650355,28.28481038,39.51344072,57.38134146,7.172667682,28.28481038,-3.246882793,9.99E-16,1.25E-16,-27.63166079,5000004.13,625000.5163,12.33995944,28.85485962,14.68713109,20.56234631,29.24441154,3.655551442,14.68713259,0.519402558,0.040984314,0.005123039,-2.555652705,31.90484788,3.988105986,2.770206376,26.45828269,13.80431324,20.72025021,27.25042555,3.406303194,13.80431814,1.584285714,0.127907396,0.015988425,-1.645158995,23.39420734,2.924275918,2.521990754,0,11.9964005,15.99870153,-0.37788944,0.217287435,4.036117975,6.857754998,7,17,16,16,6,1,1,0,0,1,15.72207,3.562387609,2.96820279,2.792395245,2.194326501,1.919629893,1.018637612,0.537136079,0.083923071,1.680812041,1.433496486,1.395080814,0.977612564,0.173934623,0.083923071,0.083923071,0.083923071,3.42192835,2.850405423,2.722087809,2.234408599,1.709096939,0.607375549,0.412405079,0.270913902,1.732904127,1.396725401,1.343750351,0.916889312,0.339385634,0.270913902,0.270913902,0.270913902,3.628193502,3.136256265,3.028314638,2.533424897,2.135699648,1.232329453,1.060368303,0.943918427,1.498612513,1.06433158,0.986062882,0.551903345,0.113985667,0.943918427,0.943918427,0.943918427,3.388449647,2.841226125,2.730940909,2.273530431,1.643968835,0.460163917,0.423791026,0.399277246,1.763938077,1.376361505,1.31158806,0.864858241,0.407497462,0.399277246,0.399277246,0.399277246,3.628967147,3.190717981,3.106744481,2.648979979,2.15437259,1.208950731,1.208167162,1.207644823,1.487140584,0.996485201,0.898664316,0.441567577,0.135695119,1.207644823,1.207644823,1.207644823,4.650034497,3.521355949,3.125339605,2.761639036,2.32442515,1.55405688,1.0405929,0.555555556,1.476072329,1.116667838,1.068285374,0.7413483,0.424929825,0.555555556,0.555555556,0.555555556,0,0,0,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5,0,0.166666667,0,0.165963653,0,0.019641855,0,1.138071187,1.304737854,0.333333333,0.260204467,0.279846322,0.03928371,6.568914101,3.718744015,2.820593172,1.991563832,1.231484176,0,0,0,0.821114263,0.531249145,0.352574147,0.248945479,0.246296835,0,0,0,5.302095141,2.280700382,1.413982236,0.760079655,0.42815235,0,0,0,0.662761893,0.32581434,0.17674778,0.095009957,0.08563047,0,0,0,9.853536332,18.43117261,17.6745098,18,10.43349102,139.6048383,0.547418685,1.023954034,0.981917211,1,0.57963839,7.755824351,0.1943,28.487,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,43,0,0,3,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.53425926,-0.115740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.427777778,0,0,0,0,0,0,0,0,0,0,4.266666667,0,0,0,0,0,-0.685185185,0,0,-0.115740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.35601852,9.178240741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.58912037,-0.115740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.526388889,0,0,0,0,0,0,0,0,0,0,1.414351852,0,0,0,0,0,-0.685185185,0,0,-0.115740741,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.35601852,4.58912037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.35601852,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.901388889,0,0,0,0,0,0,0,0,0,0,1.426157407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,10.35601852,4.58912037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23,2.875,0.901388889,10.35601852,0.307291667,-0.685185185,1.568315741,2.018518519,3.356018519,11.06851852,2.018518519,3.356018519,11.06851852,3.49999,0.4375,0,0.0625,0.60556,0.9875,0.42308,0.60556,0.9875,0.18248,0,-0.18248,0,0.44304,0.27125,0,0.52381,0.28572,0,6.25,0.78125,4.75,0.59375,1.5,0.1875,-3.25,-0.40625,0,0,4.86086,0.60761,9.08078,4.21993,0.52749,1.98053,0.24757,3.71873,1.7382,0.21728,0.19527,0.02441,0.19527,0.02441,0,7.03,3,3,3,3,0,0,0.8,1.41526895,2.102187171,2.821888196,2.821888196,2.590225695,1.774686806,25.4748411,37.83936908,50.79398752,50.79398752,46.62406252,31.94436251,0.339399138,0.504130691,0.676723969,0.676723969,0.621168413,0.42559202,2.754656051,2.06773783,1.348036806,1.348036806,1.579699306,2.395238195,0.339399138,0.504130691,0.676723969,0.676723969,0.621168413,0.42559202,13.52582794,22.3802655,23.10559821,23.10559821,20.32564821,11.67859186,30.45091815,20.59630782,20.57928265,20.57928265,19.18930765,11.93224792,8,3.9375,2.8125,8,1,3,1.68,0.9462,0.75,0,2.941682753,0,0,0,0,1,0,0,0,0.666666667,0.5,0,0,0,0,0,0,0.003,0.859,0.875,0.929,0.192,3.381,8,8,5,0,0,0,0,0,0,36,2.197224577,2.397895273,2.397895273,2.079441542,0,0,0,0,0,0,3.784189634,1.194444444,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,6,0.857142857,0,2,4,1,2,1.111111111,0.625,0,0,0,0,0,0,0,0.285714286,0.138888889,0.078125,0,0,0,0,0,0,0,0.502728175,17.41873535,23.94987288,34.83747069,4.354683836,17.41873543,0.045000838,0.005625105,-2.480859333,36.3220172,4.54025215,2.873939273,35.53,118.7706032,4,3.433987204,4.143134726,4.890349128,5.616771098,6.368187186,7.099201744,7.851271997,8.583542572,9.335650563,72.32209622,2.708050201,0,3.850147602,0,5.209486153,0,6.652863029,0,8.124150603,8.389132521,118.0629942,6.559055232,14.50113758,1.812642197,7.757560588,7.757560588,0,67,8,-0.283,30,1.233176471,2.079480767,2.919304809,3.438446271,4.143267778,4.426402378,0,0,0,0,110.5841621,131.624802,222.4360093,126.8573834,54.44684192,4.497508105,0,0,0,0,271.6821668,317.6041869,522.9661898,433.6154938,440.5122694,137.5891603,0,0,0,0,10.02161616,17.45581613,25.00609453,27.84601786,31.99837334,29.73862502,0,0,0,0,1.761152342,2.054156025,3.436861566,3.16405181,3.996921469,1.968035619,0,0,0,0,184.2416147,350.7933415,463.3296978,585.1141742,668.5952856,818.5199346,0,0,0,0,4.512235294,7.523977524,15.94460129,11.18707459,13.61493933,4.426402378,0,0,0,0,0.449441471,0.571817056,0.933334677,0.830120119,0.956872304,0.453263603,0,0,0,0,361.263193,358.2586862,27.38732341,150.0191814,-148.7715213,-26.8022271,211.2440116,507.0302075,54.1895505,0.706582529,0.700706115,0.053565945,0.293417471,-0.290977215,-0.052421575,184.707503,183.1713517,14.00265574,76.70216323,-76.06425665,-13.70350631,0.219050936,0.35179513,2.803764615,5.640542678,414.1283761,97.15399825,0.809979762,0.190020238,648.7704865,25.47097341,8.656925797,745.6408473,27.30642502,9.067966292,1165.594102,34.14079821,10.52403896,1.730778803,1.540813069,383.3945005,324.8081696,138.5118879,1.180372098,2.767953757,2.344984062,3.708426256,3.495611802,6.338613234,0.813305823,2.802220954,5.1935106,8.589488404,5.119855834,11.3875548,6.478125345,5.073357988,4.889230895,6.491053449,4.693017538,0.822261712,0.147870017,2.01E-19,5.28E-59,2.67E-120,2.61E-203,4.91E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0.25166523,4.132629895,0.767622785,3.310782907,2.131831683,0.741059911,1.860854937,0.38601832,0.37784844,0.186977484,0.005804832,0.001041461,1.42E-21,3.72E-61,1.88E-122,1.84E-205,3.45860224867232E-310,0,0,0,0,0,0,0,0,0,0,0,0,0,0.765026742,3.313366727,1.524324953,2.450864837,2.843684728,1.439533656,1.55047563,0.804379819,1.266528688,0.739901917,0.060384236,0.010852823,1.48E-20,3.87E-60,1.96E-121,1.91E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,2.650178983,5.856226446,9.928920369,5.951090572,12.06013847,6.226713847,6.058609677,5.498944583,5.999239785,4.287380058,0.73262973,0.131749523,1.79E-19,4.70E-59,2.38E-120,2.32E-203,4.38E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,1.119933014,3.016876753,1.757413469,2.247108115,3.415726439,2.013310307,1.393005173,0.970874781,1.980814441,1.228393873,0.131129223,0.023573781,3.21E-20,8.42E-60,4.26E-121,4.16E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,3.384110639,6.285448856,12.34255554,6.443362272,15.14342083,8.593851466,7.056139571,7.040752573,8.493861074,6.342267056,1.19914715,0.215654523,2.93E-19,7.70E-59,3.90E-120,3.80E-203,7.16E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,1.711807106,5.693392882,7.542607643,9.413236064,10.20736417,3.710121216,9.089272235,6.273901999,3.264748076,2.066405351,0.25383898,0.045638894,6.21E-20,1.63E-59,8.25E-121,8.05E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,3.867612164,1.068496386,0.549427968,0.705056315,0.194784299,0.552558624,0.381318646,0.358073157,5.485536517,6.844565706,14.60062957,0.557584473,1.291950426,2.471355538,0.878670687,0.348411511,0.668216072,0.237578878,0.245562718,0.462906803,0.067014928,3.698437736,3.338695367,7.79371137,0.502324109,0.775484449,3.185914005,0.835534531,0.461265967,0.710710888,0.186390307,0.378868052,0.2774697,0.258654487,4.482714503,4.51689851,10.22747588,0.566066332,0.914992239,3.677789054,1.030568155,0.592925597,0.693754548,0.194399769,0.500623011,0.369754552,0.441577155,5.301282806,6.581917788,14.13051447,0.540631821,1.311954718,3.563912918,0.910084708,0.43524506,0.725959816,0.185381894,0.470366967,0.281007232,0.233584009,4.909242687,5.190748014,11.5116918,0.588939724,0.984958208,3.908447858,1.093866305,0.572870653,0.70104364,0.196202698,0.56413969,0.399429522,0.388200367,5.575184816,7.140998397,15.16538824,0.55156546,1.351769578,3.763778303,1.03830328,0.60018422,0.69670365,0.19219774,0.524757348,0.370361632,0.451926645,5.402265803,6.790076947,14.53782869,0.545055475,1.347045626 +UMLYSI0404,L,tetramethoxymethane,COC(OC)(OC)OC,other multi-oxygen compounds,C5H12O4,1850-14-2,74613,PubChem,,14.8,0,1.435,2.059225,31.567,20.009516,0,0,21,9,12,0,5,0,4,0,0,0,0,0,0,0,1757.385377,1682.596968,2318.581162,2451.252924,1446.156438,435.855168,54.867456,0,0,3356.15255,3798.675413,4349.580769,5009.593421,5493.592113,4130.518189,1678.522199,0,0,171.731012,165.682656,304.547944,205.818192,386.205144,256.234752,362.797056,0,0,21.85267086,24.07725172,26.76739469,29.43461172,35.9850475,40.08759516,24.00909686,0,0,3594.788748,3064.2172,6061.108284,3677.590514,7427.400098,5512.411718,9985.553209,0,0,78.5625,69.5,137.5,99,150,72,54,0,0,83.68501795,84.1298484,68.19356359,102.1355385,34.43229614,12.107088,1.016064,0,0,159.8167881,189.9337707,127.9288462,208.7330592,130.7998122,114.7366164,31.08374443,0,0,8.177667238,8.2841328,8.957292471,8.575758,9.195360571,7.117632,6.718464,0,0,1.040603374,1.203862586,0.787276314,1.226442155,0.856786845,1.11354431,0.444612905,0,0,171.1804166,153.21086,178.2678907,153.2329381,176.8428595,153.1225477,184.917652,0,0,3.741071429,3.475,4.044117647,4.125,3.571428571,2,1,0,0,0.587193689,-0.531069352,0.474741904,0.10062086,-0.574706045,0.084322635,0.152493154,0,0,874.7184432,57.62293939,400.0525908,268.0292694,-1692.29124,-1089.569162,1618.796381,0,0,866.7660374,-321.4680135,558.3757364,-173.2794503,-167.4589098,-1853.53542,1523.983038,0,0,3.430892952,-0.315763955,2.418460553,-0.595443374,-7.036789333,0.730784653,3.08330498,0,0,3.634829613,-3.109921822,3.533707259,-3.492234642,4.505854403,-7.035888543,3.781068539,0,0,20.91490073,-20.02286059,22.18308523,-24.11143742,30.51922489,-35.53712077,16.51165829,0,0,19.39285714,-3.397959184,10.04846939,10.51530612,-43.875,-7.852040816,24.86479592,0,0,0.027961604,-0.026553468,0.013962997,0.004192536,-0.013683477,0.002342295,0.002823947,0,0,41.6532592,2.88114697,11.76625267,11.16788623,-40.29264856,-30.26581006,29.97771075,0,0,41.27457321,-16.07340068,16.42281578,-7.219977096,-3.987116899,-51.48709499,28.22190812,0,0,0.163375855,-0.015788198,0.071131193,-0.024810141,-0.167542603,0.020299574,0.05709824,0,0,0.173087124,-0.155496091,0.103932566,-0.145509777,0.107282248,-0.195441348,0.070019788,0,0,0.995947654,-1.001143029,0.652443683,-1.004643226,0.726648212,-0.987142244,0.30577145,0,0,0.923469388,-0.169897959,0.295543217,0.438137755,-1.044642857,-0.218112245,0.460459184,0,0,-0.94964035,0.499363237,0.149939031,-0.489366675,0.083768277,0.100993751,0,0,0.069169785,0.282480961,0.268115543,-0.967334834,-0.72661325,0.719696641,0,0,-0.389426212,0.397891838,-0.174925542,-0.096599833,-1.247428889,0.683760144,0,0,-0.096637277,0.435383752,-0.151859286,-1.025504064,0.124250757,0.349490079,0,0,-0.898368909,0.600463881,-0.840673604,0.619816454,-1.129150126,0.40453493,0,0,-1.005216515,0.655098369,-1.008730953,0.729604823,-0.991158762,0.307015583,0,0,-0.183977901,0.320035749,0.474447514,-1.13121547,-0.236187845,0.498618785,0,0,2.177897688,1.048679855,2.143230778,1.888072078,0.001399035,0,0,0,0.903162196,0.906766055,0.782938522,2.202146133,1.384056892,0,0,0,1.717371372,0.339791511,1.497382666,0.825207956,2.597326196,0,0,0,1.002698728,1.160230278,1.236092195,2.817702103,0.069124861,0,0,0,2.490417069,0.017750747,2.420812627,0.043108956,2.768834834,0,0,0,2.631493072,6.49E-05,2.63589531,1.58E-04,2.613884119,0,0,0,1.063535912,1.17159571,0.596224678,2.762430939,0.515653775,0,0,0,29.75685071,15.37842535,19.23998085,30.53462848,3.392736498,15.37842622,1,0,0,0,4000015.129,444446.1255,13.68162783,29.78924,15.39315116,19.25873096,30.56473291,3.396081435,15.39315202,0.997062316,1.11E-16,1.23E-17,-33.06312051,4000030.301,444447.8113,13.68163124,58.3897609,28.39689149,35.83763494,57.14844475,6.349827194,28.39689149,-1.595977912,6.52E-16,7.25E-17,-31.46948506,5000013.755,555557.0839,13.8824561,29.82323281,15.408606,19.27840945,30.59632774,3.399591971,15.40860685,0.993979201,8.85E-17,9.83E-18,-33.26747222,4000097.587,444455.2874,13.68164638,88.54470963,42.10776628,53.33639663,85.17757191,9.464174657,42.10776628,-4.329177057,1.21E-16,1.35E-17,-32.98246957,4000055.216,444450.5796,13.68163685,33.14703531,16.91978603,21.20304584,33.685675,3.742852778,16.9197862,0.692536744,1.94E-16,2.16E-17,-32.5594663,5000009.439,555556.6043,13.88245532,25.92421364,13.81496396,17.30406478,27.2508803,3.027875589,13.81496898,1.705714286,2.36E-16,2.62E-17,-32.38472589,4000022.989,444446.9987,13.6816296,0,11.99640046,15.99928323,-0.338204685,0.412033835,4.524276877,7.009004544,8,20,20,20,8,0,0,0,0,0,20.782484,3.52312292,2.792395245,2.792395245,2.792395245,2.117418964,1.018637612,1.018637612,1.018637612,1.565663487,1.395080814,1.395080814,1.395080814,0.658926353,0.083923071,0.083923071,0.083923071,3.267891222,2.722087809,2.722087809,2.722087809,2.134673495,0.607375549,0.607375549,0.607375549,1.6709202,1.343750351,1.343750351,1.343750351,0.74593151,0.270913902,0.270913902,0.270913902,3.577625117,3.028314638,3.028314638,3.028314638,2.429928169,1.232329453,1.232329453,1.232329453,1.344030246,0.986062882,0.986062882,0.986062882,0.388941832,0.943918427,0.943918427,0.943918427,3.194618613,2.730940909,2.730940909,2.730940909,2.153308683,0.460163917,0.460163917,0.460163917,1.734805245,1.31158806,1.31158806,1.31158806,0.733605284,0.399277246,0.399277246,0.399277246,3.556192336,3.106744481,3.106744481,3.106744481,2.522075331,1.208950731,1.208950731,1.208950731,1.347241546,0.898664316,0.898664316,0.898664316,0.313995225,1.207644823,1.207644823,1.207644823,3.760626395,3.091135815,3.091135815,3.091135815,2.299767248,1.51423398,1.51423398,1.51423398,1.332319756,1.091856281,1.091856281,1.091856281,0.538884698,0.540540541,0.540540541,0.540540541,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.707106781,0.125,0,0,0.136082763,0.013888889,0,0,2.121320344,2.621320344,0,0.40824829,0.463803846,0,7.328427125,4.242640687,2.914213562,3,1.5,0,0,0,0.814269681,0.530330086,0.291421356,0.25,0.25,0,0,0,6.132993162,2.449489743,1.316496581,1,0.5,0,0,0,0.681443685,0.306186218,0.131649658,0.083333333,0.083333333,0,0,0,11.11016324,21.64967225,20.74901961,21.16,11.71228503,164.0449198,0.529055392,1.030936774,0.988048553,1.007619048,0.557727859,7.811662846,0.1833,30.767,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,48,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.708333333,0,0,0,0,0,0,0,0,0,0,0,-1.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,18.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.71875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.427083333,0,0,0,0,0,0,0,0,0,0,0,-1.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.71875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.71875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.427083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.71875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,23.25,2.583333333,1,4.71875,0.3125,-1.333333333,2.139333333,2.583333333,1.21875,9.75,2.583333333,1.21875,9.75,3.83332,0.42592,0,0.07408,0.61746,1.04074,0.42414,0.61746,1.04074,0.19332,0,-0.19332,0,0.40925,0.30504,0,0.52174,0,0.13044,6,0.66667,6,0.66667,0,0,-6,-0.66667,0,0,6.18234,0.68693,11.07107,4.88873,0.54319,2.3094,0.2566,4.24264,1.93324,0.2148,0.17136,0.01904,0.17136,0.01904,0,8.04,4,4,4,4,0,0,1,1.409975019,1.58186266,1.58186266,1.58186266,1.372704688,0.917025179,29.6094754,33.21911587,33.21911587,33.21911587,28.82679845,19.25752876,0.321009363,0.360143065,0.360143065,0.360143065,0.312524018,0.208779351,2.982342404,2.810454762,2.810454762,2.810454762,3.019612735,3.475292244,0.3262375,0.366008556,0.366008556,0.366008556,0.317613958,0.212179647,13.66890864,15.73156034,15.73156034,15.73156034,13.22166467,5.933109824,34.90638753,32.30914838,32.30914838,32.30914838,31.05420055,16.47245626,9,3.92,2,9,0,0,1.57,1.0479,1.5,0,0,2,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0.003,0.98,1.015,0.788,0.075,3.297,10,12,6,0,0,0,0,0,0,45,2.197224577,2.397895273,2.564949357,1.945910149,0,0,0,0,0,0,3.828641396,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4,0.5,8,1,0,2,4,1,3,1.333333333,0.75,0,0,0,0,0,0,0,0.375,0.133333333,0.0625,0,0,0,0,0,0,0,0.570833333,20.39230485,25.62837282,40.78460969,4.531623299,20.39230485,2.78E-16,3.08E-17,-32.23845885,4000025.267,444447.2519,13.68163011,36.92,130.1972886,4.169925001,3.610917913,4.394449155,5.198497031,5.993961427,6.803505258,7.601402335,8.412054873,9.210440367,10.02131503,78.24654339,2.833213344,0,4.043051268,0,5.549076085,0,7.136483209,0,8.741456116,8.968268811,136.0735589,6.479693279,16.42830086,1.825366762,10.80330086,10.80330086,0,88,12,-0.108,36,1.2286,2.036370443,2.834343288,3.334422334,3.773598969,4.058543217,0,0,0,0,115.8506784,153.7973824,299.2834412,117.1782989,45.6872948,4.123739656,0,0,0,0,246.3918172,278.7991908,601.8491776,442.448818,432.9699773,126.1547201,0,0,0,0,10.3801568,18.56449326,24.46530515,30.6255597,26.85908878,27.2671765,0,0,0,0,1.494726762,1.671520347,3.48844284,2.898519297,4.202069661,1.804480689,0,0,0,0,188.2501759,361.5757125,434.3267614,588.5904146,577.8230883,750.4962824,0,0,0,0,4.52515,8.779380435,12.00450335,11.91788537,7.547197939,4.058543217,0,0,0,0,0.429456,0.528319995,1.03342114,0.859884805,0.905663753,0.415594825,0,0,0,0,391.7093818,480.24139,20.41987263,88.68318453,-108.726872,-27.18171799,303.0261973,588.9682619,47.60159062,0.815394345,0.999685307,0.042506637,0.184605655,-0.226329214,-0.056582304,188.1742752,230.7043938,9.809555016,42.60274261,-52.23158106,-13.05789526,0.336061332,0.25,0.570708487,11.8472077,390.0111547,90.38141171,0.811859263,0.188140737,781.4391912,27.95423387,9.210822139,897.6836242,29.96136886,9.646603632,1552.435595,39.40095932,11.57900382,1.329886865,1.161864462,354.5222037,329.7018262,217.2345961,1.075281286,1.631978562,1.517722462,3.684246311,2.999255685,5.948881152,0.983452489,3.34680741,4.301491469,12.92450355,1.895176266,16.53114275,12.71608247,13.09602713,7.226484531,7.370271919,1.149785121,1.540415884,1.29E-13,2.08E-48,6.47E-105,3.89E-183,4.50E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.280875311,4.134206514,1.37195087,1.465335538,2.480276123,3.977878493,0.992654653,1.244875279,0.088877237,0.008102178,0.010849275,9.08E-16,1.46E-50,4.56E-107,2.74E-185,3.17E-285,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.906696994,2.334991659,2.313286989,0.958482275,4.47825268,4.179642959,2.439178204,1.979091948,0.635913711,0.084398379,0.113057811,9.46E-15,1.53E-49,4.75E-106,2.85E-184,3.30E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.159113481,5.33936731,15.16701028,2.24153351,17.23564725,13.6489161,13.47321198,6.688371176,6.592234117,1.024440698,1.37248282,1.15E-13,1.85E-48,5.77E-105,3.46E-183,4.01E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.336304105,1.685512686,2.56912183,0.869249702,5.676688441,4.475204376,3.360882463,2.627567248,1.290320289,0.18331435,0.245576672,2.05E-14,3.32E-49,1.03E-105,6.20E-184,7.17E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.041754643,5.508323109,18.67454677,2.346641492,21.46643451,16.89850563,17.97329485,9.415484018,10.62827019,1.676840011,2.246551796,1.88E-13,3.03E-48,9.44E-105,5.67E-183,6.56E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.955768487,5.774277271,11.3706162,2.816193716,10.50889884,10.98283719,8.319728624,3.762537145,2.293973056,0.335964667,0.450084992,3.77E-14,6.08E-49,1.89E-105,1.14E-183,1.31E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.091298186,1.38473767,0.867283338,0.57853519,0.259153088,0.580958826,0.428492715,0.52040521,5.343319194,8.162628367,17.21847275,0.367802785,1.529856751,1.721996571,0.921909438,0.75969301,0.505934031,0.270863117,0.179601131,0.206190837,0.227009394,3.403599019,3.596081805,8.205712387,0.258901046,0.612801362,2.470507295,1.120651888,0.768343193,0.566694793,0.257059589,0.370603096,0.27743006,0.37897497,4.359502377,5.527821381,12.01454233,0.350042189,1.027008126,2.904641595,1.329071407,0.87606547,0.568447656,0.260103528,0.512790694,0.393077285,0.519218526,5.109778472,7.569485862,16.06129414,0.352671484,1.425086505,2.84807006,1.24479424,0.772193945,0.585413353,0.255864201,0.492889964,0.34540465,0.408250212,4.865058244,6.705746233,14.30843371,0.37812003,1.246544826,3.119608581,1.404627452,0.884059864,0.576819139,0.259717197,0.591685843,0.440943505,0.540881006,5.408295898,8.381583349,17.66373043,0.365228708,1.573510355,3.006706699,1.357727505,0.868734115,0.574548059,0.259446558,0.549541862,0.411208371,0.517552276,5.233168319,7.873821269,16.65341277,0.361822088,1.478302509 +UMLYSI0405,L,"1,1-dimethoxyethane",CC(OC)OC,other multi-oxygen compounds,C4H10O2,534-15-6,10795,PubChem,,14.2,0,0.3697,0.13667809,23.0874,15.31193,0,0,16,6,10,0,4,0,2,0,0,0,0,0,0,0,1099.153126,1033.990957,1115.413085,869.523068,392.407513,90.93168,9.144576,0,0,2437.686605,2781.801074,3063.692795,2955.718756,2478.940549,1247.927098,279.7536999,0,0,124.050136,118.852372,213.206564,169.072256,190.089892,163.638144,60.466176,0,0,16.88813705,19.2817031,21.63352127,21.70728111,22.02771707,14.68429815,4.001516144,0,0,2727.256516,2271.393147,4503.949927,3451.114367,4184.876501,4247.253023,1664.258868,0,0,48.27777778,45.33333333,74.58333333,58,55,30,9,0,0,68.69707037,68.93273047,42.90050327,41.40586038,15.69630052,3.78882,1.016064,0,0,152.3554128,185.4534049,117.8343383,140.7485122,99.15762194,51.99696242,31.08374443,0,0,7.7531335,7.923491467,8.200252462,8.05105981,7.60359568,6.818256,6.718464,0,0,1.055508566,1.285446873,0.83205851,1.033680053,0.881108683,0.611845756,0.444612905,0,0,170.4535323,151.4262098,173.2288434,164.3387794,167.39506,176.9688759,184.917652,0,0,3.017361111,3.022222222,2.868589744,2.761904762,2.2,1.25,1,0,0,0.307821242,-0.114036442,9.08E-04,-0.024947929,-0.080191069,0.039127371,0.025229237,0,0,591.5296958,10.19025136,12.03958191,-245.854263,-472.6080857,207.9832601,192.4844075,0,0,684.3519461,-220.9314071,159.7807848,-158.2425802,-472.3396209,134.0899722,215.4668782,0,0,1.881327,-0.031623562,-0.181272375,-0.833769187,-0.703539937,0.5456025,0.263939062,0,0,2.915623878,-1.817802281,1.045738102,-0.260329822,-1.178986005,0.108585806,0.644982259,0,0,16.4472548,-11.36443223,6.178893215,-1.005247684,-5.048007103,-0.034238814,3.049405215,0,0,11.27083333,-1.083767361,-0.127604167,-2.928385417,-7.322482639,3.385416667,2.44140625,0,0,0.019238828,-0.007602429,3.49E-05,-0.001187997,-0.003207643,0.001630307,0.002803249,0,0,36.97060598,0.679350091,0.463060843,-11.70734586,-18.90432343,8.665969172,21.38715639,0,0,42.77199663,-14.72876048,6.145414799,-7.535360963,-18.89358484,5.587082174,23.94076425,0,0,0.117582937,-0.002108237,-0.006972014,-0.039703295,-0.028141597,0.022733437,0.029326562,0,0,0.182226492,-0.121186819,0.040220696,-0.012396658,-0.04715944,0.004524409,0.071664695,0,0,1.027953425,-0.757628815,0.237649739,-0.047868937,-0.201920284,-0.001426617,0.338822802,0,0,0.704427083,-0.072251157,-0.004907853,-0.139446925,-0.292899306,0.141059028,0.271267361,0,0,-0.395160747,0.001815663,-0.06174995,-0.166727558,0.084740461,0.145707865,0,0,0.018375411,0.012525108,-0.316666323,-0.511333881,0.234401599,0.578490826,0,0,-0.344355224,0.143678465,-0.176175104,-0.441727914,0.130624769,0.559729873,0,0,-0.017929791,-0.05929444,-0.337662041,-0.239334023,0.193339595,0.249411718,0,0,-0.665034031,0.220718161,-0.068028847,-0.258795741,0.02482849,0.393272649,0,0,-0.737026403,0.231187263,-0.046567224,-0.196429409,-0.001387823,0.329609099,0,0,-0.102567262,-0.006967155,-0.197957926,-0.415797905,0.200246457,0.385089341,0,0,1.413102498,1.614654072,1.486035969,1.012647307,0.012479943,0,0,0,1.07710287,1.128387806,1.418064809,1.420641743,0.383748726,0,0,0,1.745497216,0.690006419,1.237145506,1.403756886,0.616808212,0,0,0,0.939500682,1.650820855,1.633672099,1.124470547,0.023636242,0,0,0,2.242734213,0.561839702,1.184251306,1.253945384,0.647218439,0,0,0,2.337930192,0.578574979,1.191157928,1.196648189,0.623232352,0,0,0,1.040049291,1.45172757,1.415368365,1.317560074,0.166358595,0,0,0,16.61577351,8.557886757,12.41944226,16.94910685,2.824851141,8.558442195,0.5,0,0,0,3000004.304,500000.7173,8.948474569,16.62999834,8.564264751,12.42984456,16.96235245,2.827058742,8.564816323,0.498531158,3.33E-16,5.55E-17,-21.38291297,3000004.304,500000.7173,8.948474569,29.32517431,14.26359268,21.70433612,28.79318167,4.798863612,14.26359393,-0.797988956,2.22E-16,3.70E-17,-21.62619203,3000004.172,500000.6954,8.948474542,16.644928,8.570958799,12.44076225,16.9762544,2.829375733,8.571506343,0.4969896,7.77E-16,1.30E-16,-20.87453425,3000004.303,500000.7172,8.948474569,42.84027364,20.33784256,31.5664729,41.39721462,6.89953577,20.33784256,-2.164588529,3.33E-16,5.55E-17,-21.38291297,3000004.13,500000.6884,8.948474534,18.10746952,9.226868948,13.51012876,18.3383151,3.056385851,9.227136571,0.346268372,5.55E-16,9.25E-17,-21.07641759,3000004.275,500000.7126,8.948474563,15.17742384,8.002402398,11.2347345,15.72901115,2.621501858,8.003504241,0.827380952,1.11E-16,1.85E-17,-22.04208034,3000004.204,500000.7007,8.948474549,0,11.99646145,15.99825808,-0.384498032,0.154059179,4.286068404,6.068004336,5,15,15,15,5,0,0,0,0,0,14.76407,3.399904234,2.792395245,2.581441468,1.806502153,1.018637612,0.49404245,0.083923071,0.083923071,1.662821421,1.395080814,1.355699784,0.679570915,0.083923071,0.083923071,0.083923071,0.083923071,3.264396593,2.722087809,2.613714834,1.80466312,0.607375549,0.41035446,0.270913902,0.270913902,1.685251445,1.343750351,1.264379032,0.615957719,0.270913902,0.270913902,0.270913902,0.270913902,3.515564238,3.028314638,2.8890607,2.186715474,1.232329453,1.05912921,0.943918427,0.943918427,1.4020477,0.986062882,0.916382837,0.169621022,0.943918427,0.943918427,0.943918427,0.943918427,3.240311266,2.730940909,2.648344696,1.833513729,0.460163917,0.423779227,0.399277246,0.399277246,1.699655687,1.31158806,1.201959117,0.566262856,0.399277246,0.399277246,0.399277246,0.399277246,3.537673225,3.106744481,3.001258283,2.308887382,1.208950731,1.208167162,1.207644823,1.207644823,1.367025931,0.898664316,0.808349516,0.048290063,1.207644823,1.207644823,1.207644823,1.207644823,3.608816632,3.102302772,2.79368091,2.070902122,1.527285879,0.923990245,0.545454545,0.545454545,1.483815754,1.084134106,1.053231318,0.405797382,0.545454545,0.545454545,0.545454545,0.545454545,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.096225045,0,0,0,0.577350269,0.288675135,0,0.19245009,0.096225045,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,4.39384685,1.865251371,1.039034086,0.663854611,0.096225045,0,0,0,0.732307808,0.373050274,0.207806817,0.165963653,0.096225045,0,0,0,8.138737228,16.10050983,15.3254902,15.6,8.953251497,124.7076228,0.508671077,1.006281865,0.957843137,0.975,0.559578219,7.794226422,0.6252,23.48,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,29,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.354166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.122222222,0,0,0,0,0,0,0,0,0,0,0,5.043981481,0,0,0,0,0,-0.064814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.354166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.677083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.422222222,0,0,0,0,0,0,0,0,0,0,0,1.605324074,0,0,0,0,0,-0.064814815,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.677083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.677083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.7,0,0,0,0,0,0,0,0,0,0,0,1.833333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.677083333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.33333333,2.388888889,0.7,4.677083333,0.326388889,-0.064814815,2.151453704,1.398148148,1.177083333,4.708333333,1.398148148,1.177083333,4.708333333,2.66666,0.44444,0,0.05556,0.54583,0.95556,0.42,0.54583,0.95556,0.12583,0,-0.12583,0,0.46511,0.24918,0,0.5625,0.1875,0,3.5,0.58333,3.5,0.58333,0,0,-3.5,-0.58333,0,0,3.69956,0.61659,5.73058,2.03102,0.3385,1.7412,0.2902,2.80805,1.06685,0.17781,0.10595,0.01766,0.10595,0.01766,0,5.02,2,2,2,2,0,0,1,1.298794941,1.673794941,2.483458593,2.483458593,2.233458593,1.358458593,20.78071905,26.78071905,39.73533749,39.73533749,35.73533749,21.73533749,0.324698735,0.418448735,0.620864648,0.620864648,0.558364648,0.339614648,2.701205059,2.326205059,1.516541407,1.516541407,1.766541407,2.641541407,0.332436988,0.428421247,0.635661156,0.635661156,0.57167165,0.347708378,12.42520413,16.92520413,17.74120343,17.74120343,14.74120343,5.491154188,22.23794941,17.73794941,18.29229297,18.29229297,16.79229297,9.042292967,6,3.2,3,6,0,2,1.68,0.7896,0.908560296,0,1.889881575,0,0,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0.003,0.525,0.536,0.458,0.053,2.262,5,4,1,0,0,0,0,0,0,21,1.791759469,1.791759469,1.609437912,0.693147181,0,0,0,0,0,0,3.091042453,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,5,1,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,1.11E-16,1.85E-17,-22.04208034,3000004.229,500000.7049,8.948474554,18.46,95.32085061,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,90.06807956,5.629254973,10.6758508,1.779308466,5.271150258,5.271150258,0,31,4,0.427,20,1.2174,2.039959107,2.823015202,3.29299331,3.751021172,5.264453405,0,0,0,0,95.4747864,96.90723864,126.4834613,59.63209275,17.37652141,5.349021585,0,0,0,0,241.3161219,257.4160251,406.9337052,344.5202146,218.910196,163.6389242,0,0,0,0,9.798231433,16.88906576,22.95591955,25.42714312,25.68931633,35.36904068,0,0,0,0,1.610150773,1.775476268,2.92029952,2.962622244,2.485911105,2.340643921,0,0,0,0,183.8207431,350.9255452,464.2432054,551.5262058,654.7419736,973.4903629,0,0,0,0,3.886177778,6.126878947,8.140979383,7.644571388,4.974104255,5.264453405,0,0,0,0,0.4146485,0.494939825,0.758347363,0.719544061,0.5524008,0.539080029,0,0,0,0,293.7737324,213.0733581,14.56015095,49.1594864,-35.65525333,-14.79283872,244.614246,248.7286114,29.35298967,0.856649972,0.621326096,0.042457686,0.143350028,-0.103971419,-0.043136208,100.7447717,73.06993255,4.993159432,16.85842091,-12.22737079,-5.072955797,0.212359316,0.490682725,1.923383261,10.45261702,301.6673439,41.26587488,0.879667899,0.120332101,452.8011648,21.27912509,7.678961882,549.6715256,23.44507465,8.191581314,708.116839,26.61046484,8.91322714,1.593844379,1.388326837,254.792706,211.4443616,66.67396759,1.205010642,3.821472086,3.171318121,3.268820054,2.999255685,5.948881152,0.983452489,2.789005918,2.479618077,7.635750319,6.229990888,7.776458938,7.298978246,6.61183403,1.190998761,3.126534359,0.150808532,1.540098827,1.29E-13,2.08E-48,6.47E-105,3.89E-183,4.50E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234062419,2.987758189,0.908471566,2.01175337,0.469505193,1.338920534,0.397672565,1.012503925,0.042140437,0.001066305,0.010847042,9.08E-16,1.46E-50,4.56E-107,2.74E-185,3.17E-285,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.755580646,2.042817141,1.403301346,1.90319575,1.5426313,1.266295236,0.890230432,1.048445328,0.281162104,0.011079149,0.11303454,9.46E-15,1.53E-49,4.75E-106,2.85E-184,3.30E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.632594227,2.985829338,9.054653205,6.64020278,7.37186682,7.429859193,7.111018855,1.179896959,2.799539638,0.134370543,1.372200328,1.15E-13,1.85E-48,5.77E-105,3.46E-183,4.01E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.113586632,1.683732004,1.524282726,2.051532373,2.355162977,1.489005569,1.166122332,1.073264415,0.561210974,0.024055186,0.245526126,2.05E-14,3.32E-49,1.03E-105,6.20E-184,7.17E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368128558,2.800263224,11.03473032,8.129254999,10.19788216,10.43247918,9.645479131,1.232301847,4.494130667,0.219926542,2.246089398,1.88E-13,3.03E-48,9.44E-105,5.67E-183,6.56E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.604255089,3.40960099,7.051132242,5.670204969,3.291237152,4.819420282,4.456139123,1.300549285,1.008071689,0.044884706,0.458211221,3.83E-14,6.19E-49,1.93E-105,1.16E-183,1.34E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.364724313,0.907516132,0.409660846,0.718666222,0.193834956,0.530388273,0.517678723,0.54215144,4.68190129,4.803711227,10.73652895,0.577999333,1.590218436,2.218207438,0.752189312,0.144706169,0.712081589,0.241465316,0.230515034,0.402262613,0.046265293,3.115102919,2.098346661,5.454893548,0.568122384,0.67904294,2.822278067,0.750930746,0.260812828,0.736114277,0.195859809,0.373159534,0.363505669,0.223112382,3.834021641,3.05127407,7.438045564,0.604171415,0.959777585,3.246705383,0.898451089,0.405894924,0.713396774,0.19741616,0.493833677,0.510538374,0.551914064,4.551051396,4.599503957,10.33455328,0.570095161,1.556286115,3.099214424,0.788237779,0.301561757,0.739843422,0.188167857,0.449985159,0.391637244,0.301144993,4.189013961,3.615224813,8.540929388,0.609765133,1.142767396,3.402037969,0.927249333,0.427904154,0.715135811,0.194915286,0.542217154,0.540388262,0.59069761,4.757191455,5.007057456,11.11408858,0.572703716,1.673303026,3.311680936,0.900327425,0.405091908,0.717264244,0.194998456,0.513797417,0.51063117,0.541497913,4.617100269,4.687847673,10.51276883,0.575896367,1.5659265 +UMLYSI0406,L,propanal,CCC=O,saturated aldehyde,C3H6O,123-38-6,527,PubChem,,13.9,0,-0.1063,0.01129969,16.7418,10.082758,0,0,10,4,6,0,3,0,1,0,0,0,0,0,0,0,694.856748,553.334759,453.476062,280.974837,51.429168,0,0,0,0,1673.443949,1838.183004,1850.487943,1174.373184,339.2921252,0,0,0,0,76.284048,67.820708,110.86048,111.19446,48.568896,0,0,0,0,11.67758143,13.59840586,15.34981409,10.41995645,2.938142673,0,0,0,0,1675.340266,1325.667327,2429.972951,2615.543289,1110.305786,0,0,0,0,65.25,31,39.5,44,24,0,0,0,0,69.4856748,61.48163989,30.23173747,18.7316558,8.571528,0,0,0,0,167.3443949,204.242556,123.3658629,78.29154562,56.54868753,0,0,0,0,7.6284048,7.535634222,7.390698667,7.412964,8.094816,0,0,0,0,1.167758143,1.510933984,1.023320939,0.694663763,0.489690445,0,0,0,0,167.5340266,147.2963697,161.9981967,174.3695526,185.0509644,0,0,0,0,6.525,3.444444444,2.633333333,2.933333333,4,0,0,0,0,0.124167058,-0.027881614,-0.031556216,0.011349932,-0.013995631,0,0,0,0,357.528108,-38.477209,-93.260018,30.603573,-77.6304,0,0,0,0,465.6323026,-91.95808526,-190.6308059,22.24529872,27.52744109,0,0,0,0,0.9667344,-2.56E-06,-0.0462128,-0.09096,-0.34619184,0,0,0,0,2.048559472,-0.474341024,-0.929888995,-0.085885478,0.465835761,0,0,0,0,11.50836902,-2.685209217,-5.20275507,-0.843016553,2.976796331,0,0,0,0,31.025,0.7525,-2.5875,-2.7125,-10.965,0,0,0,0,0.012416706,-0.003097957,-0.002103748,7.57E-04,-0.002332605,0,0,0,0,35.7528108,-4.275245444,-6.217334533,2.0402382,-12.9384,0,0,0,0,46.56323026,-10.21756503,-12.70872039,1.483019915,4.587906848,0,0,0,0,0.09667344,-2.84E-07,-0.003080853,-0.006064,-0.05769864,0,0,0,0,0.204855947,-0.052704558,-0.0619926,-0.005725699,0.077639294,0,0,0,0,1.150836902,-0.29835658,-0.346850338,-0.056201104,0.496132722,0,0,0,0,3.1025,0.083611111,-0.1725,-0.180833333,-1.8275,0,0,0,0,-0.249499111,-0.169428815,0.060939038,-0.187860223,0,0,0,0,-0.119577883,-0.173897783,0.057065113,-0.361884834,0,0,0,0,-0.219434197,-0.272934681,0.031849593,0.098530682,0,0,0,0,-2.94E-06,-0.031868664,-0.062726639,-0.596840663,0,0,0,0,-0.257276193,-0.302615572,-0.027949877,0.378994579,0,0,0,0,-0.259251836,-0.301389656,-0.048834986,0.431106025,0,0,0,0,0.026949593,-0.055600322,-0.058286328,-0.589041096,0,0,0,0,0.88107819,0.8048297,0.847958583,2.046412008,0,0,0,0,1.038100476,1.014601876,0.796828267,1.41427393,0,0,0,0,1.487453885,1.236328686,0.70990748,0.403228759,0,0,0,0,0.50001324,0.664723217,0.985280756,2.624970209,0,0,0,0,1.657742868,1.2920932,0.705229661,0.020078548,0,0,0,0,1.666633262,1.285012783,0.714977195,7.52E-05,0,0,0,0,0.483481064,0.688960516,0.976631749,2.610797744,0,0,0,0,8.254326301,4.25216315,7.182754066,8.379326301,2.094831575,4.283986303,0.25,0.13346656,0.03336664,-0.805561729,8.462872281,2.11571807,0.854275452,8.255772315,4.252518947,7.183476665,8.380405104,2.095101276,4.284323559,0.249265579,0.13342066,0.033355165,-0.805699315,8.462193361,2.11554834,0.854243361,9.534350759,4.56767814,7.913736861,9.33485352,2.33371338,4.587726755,-0.398994478,0.091296806,0.022824202,-0.957455788,8.423217818,2.105804455,0.852396768,8.257289921,4.252892361,7.184235269,8.381537322,2.09538433,4.284677532,0.2484948,0.133372479,0.03334312,-0.80584379,8.461482224,2.115370556,0.854209745,10.88552942,4.901617576,8.888292043,10.34438228,2.586095571,4.914931808,-1.082294264,0.052382282,0.01309557,-1.17967475,9.960853855,2.490213464,0.919465119,8.405704476,4.289419331,7.259576114,8.492271569,2.123067892,4.319385001,0.173134186,0.128619858,0.032154965,-0.820357623,8.398917911,2.099729478,0.851241151,8.754145468,4.442749217,7.452015947,8.754145468,2.188536367,4.474300535,0.682539683,0.165206359,0.04130159,-0.72022397,8.766726222,2.191681556,0.868385378,0,11.98884397,16.00592387,-0.38950815,0.206081841,3.127757033,5.27600348,3,9,8,8,2,1,1,0,0,1,7.517242,3.366739417,2.599822503,1.565061699,0.495713671,0.083923071,0.083923071,0.083923071,0.601249521,1.730295498,1.111994085,0.601249521,0.083923071,0.083923071,0.083923071,0.495713671,1.565061699,3.314811914,2.515966189,1.582901995,0.412467022,0.270913902,0.270913902,0.270913902,0.511940822,1.691828031,1.094837458,0.511940822,0.270913902,0.270913902,0.270913902,0.412467022,1.582901995,3.496453156,2.817531876,2.011991718,1.06023425,0.943918427,0.943918427,0.943918427,0.018825137,1.464506745,0.740461057,0.018825137,0.943918427,0.943918427,0.943918427,1.06023425,2.011991718,3.317652678,2.510011467,1.62554854,0.424103116,0.399277246,0.399277246,0.399277246,0.444772836,1.672154441,1.082317266,0.444772836,0.399277246,0.399277246,0.399277246,0.424103116,1.62554854,3.540571009,2.879757341,2.160611152,1.208173581,1.207644823,1.207644823,1.207644823,0.12886128,1.413884609,0.671769212,0.12886128,1.207644823,1.207644823,1.207644823,1.208173581,2.160611152,4.602394049,3.075195553,2.000137468,1.229152396,0.545454545,0.545454545,0.545454545,0.175134718,1.546418187,0.730781106,0.175134718,0.545454545,0.545454545,0.545454545,1.229152396,2.000137468,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,2.692705341,1.351057332,0.574914957,0.166666667,0,0,0,0,0.673176335,0.450352444,0.287457479,0.166666667,0,0,0,0,5.340282516,9.994173343,9.525490196,9.68,5.875902994,77.23928623,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,0.5953,16.355,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,14,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,2,1,0,1,0,0,0,0,0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.173611111,0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.609722222,0,0,0.707291667,0.401388889,0,0.609722222,0,0,0,0,0,0,0,0,1.8125,0,0.638888889,0,0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.173611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.173611111,0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.609722222,0,0,0.305902778,0.401388889,0,0.609722222,0,0,0,0,0,0,0,0,1.8125,0,0.638888889,0,0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.173611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.173611111,0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.609722222,0,0,0.401388889,0.401388889,0,0.609722222,0,0,0,0,0,0,0,0,1.8125,0,0.638888889,0,0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.173611111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.5,3.125,0.782986111,9.173611111,0.305902778,0.638888889,1.335944444,1.125,2.173611111,4.347222222,1.125,2.173611111,4.347222222,1.83333,0.45833,0,0.04167,0.53667,0.89167,0.41429,0.53667,0.89167,0.12238,0,-0.12238,0,0.51402,0.20027,0,0.45454,0,0,3.25,0.8125,1.75,0.4375,1.5,0.375,-0.25,-0.0625,0,0,1.65033,0.41258,2.95465,1.30432,0.32608,1.17274,0.29319,1.91421,0.74147,0.18537,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3.01,1,1,1,1,0,0,0.666666667,1.295461844,2.160964047,2.646439345,2.314246535,1.185475297,0,12.95461844,21.60964047,26.46439345,23.14246535,11.85475297,0,0.389972873,0.650514998,0.796657624,0.696657624,0.356863624,0,2.026466251,1.160964047,0.67548875,1.00768156,2.136452798,3.321928095,0.389972873,0.650514998,0.796657624,0.696657624,0.356863624,0,12.01211119,18.11104151,18.60031567,14.61400195,6.173355076,0,14.69023282,11.46920586,11.46124613,9.468089272,4.55300432,0,4,3,4,4,1,3,1.68,0.547,0,1.414213562,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.423,0.415,0.622,0.171,1.914,2,1,0,0,0,0,0,0,0,10,1.609437912,1.386294361,1.098612289,0,0,0,0,0,0,0,2.63905733,1.3,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.333333333,2,0.666666667,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,0,0,0,8.45234659,2.113086648,0.853777642,17.07,66.59818058,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,58.04186481,5.804186481,6.871320344,1.717830086,2.310660172,2.310660172,0,10,1,0.587,10,1.213111111,2.10119808,2.833417396,3.465232183,0,0,0,0,0,0,83.37711636,70.80151943,62.67069085,34.0499888,0,0,0,0,0,0,268.4457343,276.3606176,235.0185245,210.6076695,0,0,0,0,0,0,9.168369209,15.60564947,21.13821737,28.8424136,0,0,0,0,0,0,1.945568491,2.247010475,2.012279943,1.722830141,0,0,0,0,0,0,176.9146224,337.2007007,492.4731514,641.3212694,0,0,0,0,0,0,4.250111111,5.764892713,8.899791717,15.58722408,0,0,0,0,0,0,0.432006667,0.523482106,0.522021428,0.561721771,0,0,0,0,0,0,215.5872798,77.95557471,9.108491097,95.19678603,-34.4228109,-18.39769243,120.3904938,112.3783856,27.50618352,0.693688331,0.250835172,0.029308102,0.306311669,-0.110761183,-0.05919767,67.00109136,24.22735046,2.830773897,29.58564422,-10.69806113,-5.717709654,0.330238011,0.837542479,5.109685733,43.93586087,258.3259971,52.45806869,0.831207341,0.168792659,256.8936029,16.02790076,6.356983681,315.0158194,17.748685,6.804206015,329.3925178,18.14917403,6.906180263,1.54928208,1.228196943,126.4616644,116.402899,16.75884705,1.086413359,7.545964473,6.94575818,2.605815668,2.386462198,4.27524874,0.791458814,1.686618357,1.940709795,2.748136945,1.7942437,3.510104423,1.091851944,0.001025173,0.012801848,3.08E-23,1.43E-65,1.28E-129,2.22E-215,6.9E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.158039956,1.940672413,0.165962161,1.206539929,0.029659567,0.53264093,1.15E-04,0.001431093,3.45E-24,1.60E-66,1.44E-130,2.48E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.462794319,1.94055723,0.432875051,1.173651871,0.270012785,0.375989858,1.99E-04,0.002479065,5.97E-24,2.77E-66,2.49E-130,4.30E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.597140986,1.940764077,2.835783797,1.845767468,3.131419639,1.34513687,0.001287666,0.016079597,3.87E-23,1.80E-65,1.61E-129,2.79E-215,8.9E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.674498251,1.940519779,0.607713751,1.202986989,0.574410676,0.305372724,1.97E-04,0.002454738,5.91E-24,2.75E-66,2.46E-130,4.26E-216,1.0E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.036858937,1.940798517,3.865674204,2.009035461,5.103732853,1.506746785,0.001497239,0.018697213,4.50E-23,2.09E-65,1.88E-129,3.24E-215,1.0E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.967809895,1.732790879,2.688925571,2.235168979,1.066168535,2.744575836,0.00213536,0.026661701,6.42E-23,2.98E-65,2.67E-129,4.62E-215,1.5E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.706147204,0.743043493,0.332403015,0.613370384,0.267128693,0.478100618,0.455857661,0.399984569,2.781593712,2.081859951,5.284854786,0.420055576,1.333942848,2.432419844,0.231755946,0.057689779,0.893659067,0.085145993,0.973253009,0.044078909,0.012047893,2.721865569,0.717423475,3.471810373,0.8404886,1.029379811,1.782328296,0.45079191,0.168628902,0.742095954,0.187693173,0.52195365,0.167388185,0.102938386,2.401749108,1.180027786,3.717263333,0.613143931,0.792280221,1.862435696,0.705090635,0.313944256,0.646349022,0.244698189,0.569884041,0.409652578,0.356794713,2.881470586,2.11924611,5.412983887,0.469523533,1.336331331,1.552817637,0.559817111,0.2258733,0.664020651,0.239390714,0.396004338,0.25893057,0.184689891,2.338508049,1.346481667,3.881339995,0.496030977,0.839624798,1.744595866,0.77362454,0.350428498,0.608159424,0.269682546,0.499908546,0.494010591,0.444541348,2.868648903,2.232118366,5.573727357,0.412239137,1.438460484,1.875087231,0.702682711,0.313160616,0.648610264,0.243064542,0.577654351,0.406854012,0.355015737,2.890930558,2.124847401,5.428395686,0.472915395,1.3395241 +UMLYSI0407,L,"1,2-propanediol",CC(CO)O,other multi-oxygen compounds,C3H8O2,57-55-6,1030,PubChem,,13.7,0,-0.9081,0.82464561,19.138,12.218344,0,0,13,5,8,0,3,0,2,0,0,0,0,0,0,0,952.856877,777.752732,882.165112,649.879158,104.934816,4.064256,0,0,0,1952.002215,2304.939767,2734.710825,2177.764949,897.8097027,124.3349777,0,0,0,103.072692,96.796928,156.988216,190.901376,135.09504,26.873856,0,0,0,13.21001124,16.00728183,20.21157437,17.65640963,9.122739098,1.778451619,0,0,0,2230.626856,1849.379209,3260.150709,4154.221872,3298.055755,739.6706081,0,0,0,88.02777778,44,67,105.3333333,44,4,0,0,0,73.29668285,64.81272767,44.1082556,27.07829825,5.829712,1.016064,0,0,0,150.1540165,192.0783139,136.7355412,90.74020622,49.87831681,31.08374443,0,0,0,7.928668615,8.066410667,7.8494108,7.954224,7.50528,6.718464,0,0,0,1.016154711,1.333940153,1.010578718,0.735683735,0.506818839,0.444612905,0,0,0,171.5866812,154.1149341,163.0075354,173.092578,183.2253197,184.917652,0,0,0,6.771367521,3.666666667,3.35,4.388888889,2.444444444,1,0,0,0,0.419616045,-0.20865554,-0.062694724,0.140964825,-0.139676156,0.060253573,0,0,0,507.4377212,-76.56268114,-96.76059143,-180.4163506,6.10677245,93.91399008,0,0,0,534.2235486,-45.603359,-179.1106822,-268.3396431,131.1563063,94.78560368,0,0,0,1.812420923,-0.363262391,-0.390648189,0.064067219,-0.374648663,0.158281562,0,0,0,2.228247828,-0.125834899,-1.061801682,-0.903328802,0.722199348,0.254642121,0,0,0,12.65892045,-0.715594219,-6.4132649,-4.332267854,3.980101677,1.151565072,0,0,0,40.58974359,-10.27087442,-7.744904668,3.159105851,-8.752465483,3.31426693,0,0,0,0.032278157,-0.017387962,-0.003134736,0.005873534,-0.007759786,0.015063393,0,0,0,39.03367086,-6.380223428,-4.838029572,-7.517347941,0.339265136,23.47849752,0,0,0,41.09411913,-3.800279916,-8.95553411,-11.18081846,7.286461462,23.69640092,0,0,0,0.139416994,-0.030271866,-0.019532409,0.002669467,-0.020813815,0.039570391,0,0,0,0.171403679,-0.010486242,-0.053090084,-0.0376387,0.040122186,0.06366053,0,0,0,0.973763112,-0.059632852,-0.320663245,-0.180511161,0.22111676,0.287891268,0,0,0,3.122287968,-0.855906202,-0.387245233,0.13162941,-0.486248082,0.828566732,0,0,0,-0.538691274,-0.097116331,0.181966223,-0.240403637,0.466674509,0,0,0,-0.163454353,-0.123945032,-0.192586241,0.008691602,0.601493454,0,0,0,-0.092477464,-0.21792739,-0.27207831,0.177311538,0.576637276,0,0,0,-0.217131822,-0.140100635,0.019147361,-0.149291804,0.283827598,0,0,0,-0.061178626,-0.309737133,-0.21959097,0.234080075,0.371407023,0,0,0,-0.061239588,-0.329303135,-0.185374819,0.227074488,0.295648156,0,0,0,-0.274127887,-0.124026111,0.042157998,-0.155734541,0.265371657,0,0,0,1.405030889,0.8829408,0.864672591,1.18183925,0.363891165,0,0,0,1.189963274,1.070966946,1.149309858,0.817648066,0,0,0,0,1.484918022,1.33642622,1.09324624,0.400808311,0,0,0,0,1.116438226,1.004794403,1.073323517,1.041504934,0,0,0,0,1.701326818,1.531194136,1.000169703,0.164229032,0,0,0,0,1.734753579,1.561278221,0.973554447,0.144004772,0,0,0,0,1.18393346,1.00107391,1.047746894,1.034744157,0,0,0,0,12.96114987,6.730574934,10.13727448,13.26114987,2.652229973,6.733381156,0.5,0.032735744,0.006547149,-1.709643858,11.9451324,2.38902648,1.240161933,12.96688558,6.73270837,10.14058492,13.26600428,2.653200856,6.735507451,0.498531158,0.032842228,0.006568446,-1.708020077,11.94501556,2.389003113,1.240157042,18.05828371,8.630147376,13.40324861,17.57949033,3.515898067,8.630482599,-0.797988956,0.077438454,0.015487691,-1.279135899,14.4616458,2.892329159,1.335750014,12.97290535,6.734947476,10.14406037,13.27109911,2.654219823,6.737739083,0.4969896,0.032953835,0.006590767,-1.706323817,11.94490263,2.388980527,1.240152315,23.46245853,10.648935,17.24471948,22.16370541,4.432741082,10.64897624,-2.164588529,0.073426211,0.014685242,-1.305737156,19.71813897,3.943627795,1.490769486,13.56196653,6.954117452,10.48939797,13.76972756,2.753945511,6.95627162,0.346268372,0.043117909,0.008623582,-1.571908427,11.98042758,2.396085517,1.241637142,10.9450024,6.14296344,9.59951139,11.73592688,2.347185376,6.149903117,1.375,0.015054192,0.003010838,-2.098049383,10.65237766,2.130475532,1.182891561,0,11.99654872,15.99825767,-0.417957899,0.094235388,3.7479361,5.832753856,4,12,12,12,4,0,0,0,0,0,8.745656,3.383307603,2.58486054,2.106982624,1.438088112,0.888911887,0.083923071,0.083923071,0.083923071,1.721484501,1.210013215,0.696880053,0.402078008,0.288021689,0.083923071,0.083923071,0.083923071,3.323963491,2.495801611,1.891585904,1.271231307,0.954636875,0.270913902,0.270913902,0.270913902,1.709973645,1.163849626,0.750540008,0.373908467,0.154779724,0.270913902,0.270913902,0.270913902,3.520751119,2.831236058,2.399991813,1.864219743,1.509976519,0.943918427,0.943918427,0.943918427,1.468891826,0.778349318,0.201310607,0.25667978,0.446614419,0.943918427,0.943918427,0.943918427,3.322020477,2.506898483,1.848343434,1.257521141,1.021005245,0.399277246,0.399277246,0.399277246,1.702909988,1.136802515,0.767793712,0.336232011,0.055185285,0.399277246,0.399277246,0.399277246,3.560794754,2.911076017,2.463765395,1.992139937,1.713738003,1.207644823,1.207644823,1.207644823,1.423408175,0.684866537,0.122034298,0.398171422,0.647619745,1.207644823,1.207644823,1.207644823,4.480807795,4.265323395,2.984448866,2.191552158,1.317225698,0.620689655,0.620689655,0.620689655,1.466288388,0.801290526,0.109573735,0.337782879,0.351735996,0.620689655,0.620689655,0.620689655,0,0,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.182574186,0,0,0,0.40824829,0,0,0.081649658,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.178884241,1.560025215,1.031595552,0.264223844,0,0,0,0,0.635776848,0.390006304,0.257898888,0.132111922,0,0,0,0,6.596909424,13.21267298,12.6,12.84,7.154697006,101.6793677,0.507454571,1.01635946,0.969230769,0.987692308,0.550361308,7.82148982,-0.6405,18.7666,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,2,0,2,0,0,2,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.504166667,0,16.00462963,0,0,12.04210391,0,0,0,0,0,0,0,1.504166667,0,0,0,0,0,0,0,0,0,0,0,0,0,1.495833333,0,0,0,0,0,0,0,0,0,0,0,1.527777778,0,-0.138888889,0,0,0,-0.560185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.00462963,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.727777778,0,7.893518519,0,0,5.744727366,0,0,0,0,0,0,0,0.727777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0.373611111,0,0,0,0,0,0,0,0,0,0,0,1.527777778,0,-0.138888889,0,0,0,-0.560185185,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.893518519,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.776388889,0,8.111111111,0,0,6.297376543,0,0,0,0,0,0,0,0.776388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561111111,0,0,0,0,0,0,0,0,0,0,0,1.527777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.83333333,3.366666667,0.776388889,8.111111111,0.373611111,-0.560185185,0.354976852,1.893518519,2.111111111,8.009259259,1.893518519,2.111111111,8.009259259,2.16666,0.43333,0,0.06667,0.5718,1.00667,0.41765,0.5718,0.80476,0.15415,0,-0.15415,0.20191,0.43046,0.28383,0,0.53846,0.23077,0,2.5,0.5,2.5,0.5,0,0,-2.5,-0.5,0,0,3.05947,0.61189,4.43249,1.37302,0.2746,1.65056,0.33011,2.27005,0.61949,0.1239,0.14395,0.02879,0.14395,0.02879,0,4.02,2,2,2,2,2,2,1,1.334679141,2.199687795,3.026986833,3.180832987,2.611534569,1.057485468,17.35082883,28.59594133,39.35082883,41.35082883,33.9499494,13.74731109,0.360681228,0.59443957,0.818007335,0.859582436,0.705736282,0.285772921,2.365760577,1.500751923,0.673452885,0.519606731,1.088905149,2.64295425,0.372299331,0.613587393,0.844356624,0.887270923,0.728469145,0.294978112,12.93778083,17.83006246,20.96954123,21.12459124,14.29301022,1.065760326,18.88292174,15.69084035,13.08909253,12.82748642,9.411695906,2.033859569,5,2.25,4,5,0,3,1.57,0.6487,0,0.5,1,0,0,1,0,0,0,0,0.333333333,0,0,0,0,0,0,0,0,0.604,0.703,0.688,0.717,0.341,2.771,4,2,0,0,0,0,0,0,0,15,1.609437912,1.609437912,1.098612289,0,0,0,0,0,0,0,2.772588722,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,4,1,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,40.46,78.02486598,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,76.0524295,5.850186884,8.696801932,1.739360386,4.642167779,4.642167779,0,18,2,-0.748,16,1.201,2.10464717,2.802254346,3.231366355,3.978915945,0,0,0,0,0,90.79089369,103.4993685,82.60716654,21.04723646,4.042833251,0,0,0,0,0,254.9675676,306.4796249,263.3593567,169.9041185,123.6796064,0,0,0,0,0,9.706554123,16.65501869,22.44791379,24.60982466,26.73220354,0,0,0,0,0,1.724520879,2.210088161,2.082486062,1.667608609,1.769077377,0,0,0,0,0,182.3024877,340.5638558,484.5378135,591.2202463,735.7717942,0,0,0,0,0,4.478861111,7.418670615,12.72324409,8.555907396,3.978915945,0,0,0,0,0,0.42065485,0.569956121,0.579891831,0.464210814,0.407440993,0,0,0,0,0,330.0514045,270.7281397,26.01808473,126.440874,-103.7144582,-28.90470955,203.6105305,374.4425979,54.92279427,0.723016401,0.593061816,0.056995673,0.276983599,-0.227198713,-0.063319164,150.6659177,123.5853053,11.87705478,57.71928266,-47.34484934,-13.19477672,0.256277615,0.479239632,11.45782865,18.93005424,323.4708478,133.0214307,0.708600918,0.291399082,319.5229361,17.8752045,6.836503064,413.7070167,20.339789,7.451281354,491.8984286,22.1787833,7.893903477,1.432968354,1.268731041,176.057242,134.4198963,59.77102774,1.309755823,2.945528103,2.248913921,3.045542852,2.359935319,4.338526665,0.838409142,3.10207814,2.662560845,4.084982397,5.246985958,4.243542888,0.588860087,1.057340248,0.159716805,1.99E-19,5.17E-59,2.60E-120,2.51E-203,4.69E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.300146024,2.916591683,0.386000628,2.204741056,0.153042109,0.083959277,0.009475602,0.016570296,2.22E-20,5.78E-60,2.90E-121,2.81E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.730009794,2.444123824,0.885479538,1.987742561,0.55914767,0.120465583,0.079887265,0.02945474,3.85E-20,1.00E-59,5.03E-121,4.87E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.374024849,2.915662185,4.53919733,5.374824812,3.980823322,0.73029446,0.948418729,0.196134843,2.50E-19,6.50E-59,3.26E-120,3.16E-203,5.89E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.942098482,2.264584671,1.108739629,2.060721274,0.931209493,0.118248853,0.169328115,0.030229186,3.81E-20,9.92E-60,4.98E-121,4.82E-204,0.00E+00,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.107468998,2.822901447,5.559354834,6.877104391,5.936926427,0.854245274,1.541858648,0.233242025,2.91E-19,7.56E-59,3.79E-120,3.67E-203,6.85E-308,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.412726583,4.211971064,6.142344983,6.851098926,2.625167235,1.345087448,0.441177308,0.345575599,4.60E-19,1.20E-58,6.00E-120,5.81E-203,1.08E-307,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.893317034,0.922320601,0.498405455,0.571301272,0.278306762,0.544088868,0.442360549,0.35349426,3.31404309,3.149574461,7.333955737,0.356951908,1.339943677,1.787000541,0.721954533,0.119195244,0.679946093,0.274700624,0.486601932,0.260117125,0.019706899,2.628150317,1.589188652,4.371116704,0.51991914,0.766425955,1.699115547,0.717821522,0.288914385,0.627941177,0.265284896,0.441148326,0.26792262,0.122651495,2.705851454,1.917949595,4.976178861,0.441911766,0.831722441,1.922009109,0.930142191,0.465428955,0.579340652,0.280367653,0.560344121,0.44342233,0.302867465,3.317580256,3.115215565,7.264862602,0.369010978,1.306633916,1.691708807,0.74437935,0.375796206,0.601628157,0.26472616,0.437358269,0.296752521,0.213570258,2.811884364,2.17474579,5.459860209,0.402442235,0.947681048,1.929217118,0.952722185,0.516443545,0.56768681,0.280345749,0.564390361,0.46958182,0.375472218,3.398382847,3.326366895,7.673977081,0.351530215,1.409444399,1.92743285,0.931537969,0.46620472,0.579648451,0.280147005,0.563123223,0.443983164,0.303595402,3.325175539,3.128342572,7.290577908,0.369472676,1.310701789 +UMLYSI0408,L,ethyl acetate,CCOC(=O)C,saturated esters,C4H8O2,141-78-6,8857,PubChem,,13.4,0,0.2715,0.07371225,21.7066,13.978344,0,0,14,6,8,0,4,0,2,0,0,0,0,0,0,0,1097.120998,961.876913,1112.947225,656.145719,465.538798,127.119888,9.144576,0,0,2375.519116,2673.115241,2847.602588,2303.861681,1808.166596,1120.963057,279.7536999,0,0,110.613208,102.12374,173.906524,164.901476,93.457792,111.43008,60.466176,0,0,15.99891124,18.50417448,20.54030479,16.62481792,14.10613045,10.95324725,4.001516144,0,0,2357.421212,1938.599079,3662.048126,3489.341538,1875.48662,2583.794029,1664.258868,0,0,82.27777778,44.08333333,82.5,68.16666667,45.5,39,9,0,0,78.36578557,73.99053177,50.58851023,32.80728595,38.79489983,8.4746592,1.016064,0,0,169.6799369,205.6242493,129.4364813,115.193084,150.6805497,74.73087045,31.08374443,0,0,7.900943429,7.855672308,7.904842,8.2450738,7.788149333,7.428672,6.718464,0,0,1.142779374,1.423398037,0.933650218,0.831240896,1.175510871,0.730216483,0.444612905,0,0,168.3872294,149.1230061,166.456733,174.4670769,156.2905516,172.2529352,184.917652,0,0,5.876984127,3.391025641,3.75,3.408333333,3.791666667,2.6,1,0,0,0.254203649,-0.15882378,0.096209706,-0.068068842,0.007294714,-0.01130363,0.007590008,0,0,542.6447669,-9.890012082,144.5633905,-233.6322798,-256.1662173,-167.6054705,251.4082057,0,0,629.6301992,-143.8356513,-40.61216131,114.572451,-338.7484469,-187.6174178,281.4261267,0,0,1.814294857,-0.039616653,0.638133796,-1.312404082,-0.308172735,-0.22982449,0.344736735,0,0,2.75181886,-1.091395773,-0.788723353,1.458397135,-1.234996041,-0.561617205,0.842425808,0,0,15.67280268,-6.74289231,-5.063498695,8.981314929,-6.338957466,-2.655264405,3.982896608,0,0,35.22222222,-2.055555556,13.13888889,-18.61111111,-6.75,-9.583333333,6.25,0,0,0.018157403,-0.012217214,0.004373168,-0.003403442,6.08E-04,-7.54E-04,8.43E-04,0,0,38.76034049,-0.76077016,6.571063205,-11.68161399,-21.34718478,-11.17369803,27.93424508,0,0,44.97358566,-11.06428087,-1.846007332,5.728622548,-28.22903724,-12.50782785,31.26956963,0,0,0.12959249,-0.003047435,0.029006082,-0.065620204,-0.025681061,-0.015321633,0.038304082,0,0,0.19655849,-0.083953521,-0.035851061,0.072919857,-0.102916337,-0.037441147,0.093602868,0,0,1.119485906,-0.518684024,-0.230159032,0.449065746,-0.528246455,-0.177017627,0.442544068,0,0,2.515873016,-0.158119658,0.597222222,-0.930555556,-0.5625,-0.638888889,0.694444444,0,0,-0.672850272,0.240847676,-0.187441013,0.033479063,-0.041502374,0.046445752,0,0,-0.019627541,0.169530585,-0.301380582,-0.550748123,-0.288276571,0.720691427,0,0,-0.246017317,-0.041046479,0.127377492,-0.627680378,-0.278114979,0.695287449,0,0,-0.023515521,0.223825329,-0.506358078,-0.19816782,-0.118229325,0.295573314,0,0,-0.427117246,-0.182393859,0.370982992,-0.523591409,-0.190483489,0.476208723,0,0,-0.463323407,-0.205593505,0.401135686,-0.471865213,-0.158124034,0.395310084,0,0,-0.062848823,0.237381703,-0.369873817,-0.223580442,-0.253943218,0.276025237,0,0,1.613610642,0.893043612,1.617608226,0.91549754,0.468206565,0.00165208,0,0,0.936377319,0.798032065,1.365897701,1.431307832,1.118449427,0,0,0,1.512288748,0.971940575,0.637853576,1.722619124,1.101936842,0,0,0,0.73392701,0.801018741,1.974491569,0.976238781,0.842122654,0,0,0,1.873609202,1.111058248,0.34613845,1.740332905,0.95953567,0,0,0,1.9272959,1.138871163,0.342075886,1.703683056,0.906951555,0,0,0,0.605678233,0.489550473,1.633201893,1.554514984,1.402523659,0,0,0,16.84647719,8.673238597,13.50248895,17.17981053,2.863301754,8.6737581,0.5,0.138045683,0.023007614,-1.188102366,33.39584671,5.565974452,2.105058925,16.85693926,8.677735208,13.51049598,17.18929336,2.864882227,8.678252139,0.498531158,0.138045073,0.023007512,-1.18810502,33.35139387,5.558565644,2.10425974,26.16101524,12.68151314,20.75090572,25.62902261,4.271503768,12.68152022,-0.797988956,0.134599536,0.022433256,-1.203270784,21.44338249,3.573897081,1.839249653,16.86791952,8.68245456,13.51890017,17.19924592,2.866540987,8.682968807,0.4969896,0.138044408,0.023007401,-1.18810791,33.30499477,5.550832462,2.103424427,36.04994699,16.94267923,28.54457003,34.60688797,5.767814662,16.94267932,-2.164588529,0.131307131,0.021884522,-1.218129715,19.2520098,3.208668301,1.774569276,17.94274762,9.144507998,14.34415459,18.17359321,3.028932201,9.144817474,0.346268372,0.137877817,0.022979636,-1.18883242,29.74274195,4.957123659,2.035551081,14.42402324,7.550158848,11.56838687,14.81436715,2.469061192,7.552167386,1.171031746,0.189552686,0.031592114,-0.99785296,26.35876116,4.393126859,1.963080427,0,11.89,15.99591665,-0.316136138,0.301574525,3.564559116,5.371655696,5,13,12,12,4,1,1,0,0,1,11.619656,3.464303476,2.988931659,2.156792645,1.871608884,0.975017564,0.083923071,0.083923071,0.083923071,1.68037713,1.517089532,0.880768565,0.462591843,0.083923071,0.083923071,0.083923071,0.083923071,3.311505586,2.986447552,2.091399675,1.791282882,0.604479396,0.270913902,0.270913902,0.270913902,1.687348819,1.463379376,0.832480086,0.559566896,0.270913902,0.270913902,0.270913902,0.270913902,3.544302816,3.194266857,2.469818598,2.191952141,1.226945938,0.943918427,0.943918427,0.943918427,1.425767249,1.192076756,0.39475822,0.121603281,0.943918427,0.943918427,0.943918427,0.943918427,3.281542994,3.004406769,2.090935875,1.806075826,0.459593993,0.399277246,0.399277246,0.399277246,1.703074869,1.425711365,0.806818062,0.548640381,0.399277246,0.399277246,0.399277246,0.399277246,3.555042826,3.268151891,2.559803887,2.292211108,1.208936353,1.207644823,1.207644823,1.207644823,1.397494522,1.120111268,0.300679433,0.024154227,1.207644823,1.207644823,1.207644823,1.207644823,4.677437293,3.314794277,2.783647698,2.406435656,1.516452803,0.558139535,0.558139535,0.558139535,1.465304359,1.227042719,0.54380869,0.072271763,0.558139535,0.558139535,0.558139535,0.558139535,0,0,1,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.083333333,0,0,0,0.288675135,0.288675135,0,0.058925565,0.058925565,0,4.991563832,2.77005561,2.182521985,0.866025404,0.577350269,0,0,0,0.831927305,0.554011122,0.436504397,0.288675135,0.288675135,0,0,0,4.023603362,1.904030206,0.924594326,0.3476007,0.203263132,0,0,0,0.67060056,0.380806041,0.184918865,0.1158669,0.101631566,0,0,0,7.596909424,14.21267298,13.6,13.84,8.154697006,108.4220623,0.542636387,1.015190927,0.971428571,0.988571429,0.582478358,7.74443302,0.5694,22.307,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,31,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,1,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.22430556,-0.210648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.932638889,0.5125,0,0,0,0,0,0,0,0,0,0,3.171527778,0,0.481481481,0,0,0,0,0,0,-0.210648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.821527778,4.402777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.402777778,-0.210648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.376736111,0.5125,0,0,0,0,0,0,0,0,0,0,1.392361111,0,0.481481481,0,0,0,0,0,0,-0.210648148,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.821527778,4.402777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.821527778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.555902778,0.5125,0,0,0,0,0,0,0,0,0,0,1.779166667,0,0.481481481,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.821527778,4.402777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.66666667,2.944444444,0.705208333,9.821527778,0.368055556,-0.210648148,1.631875463,1.877314815,2.821527778,7.448611111,1.877314815,2.821527778,7.448611111,2.66666,0.44444,0,0.05556,0.58095,0.95556,0.42,0.58095,0.95556,0.16095,0,-0.16095,0,0.46511,0.24918,0,0.5,0.1875,0,4.75,0.79167,3.25,0.54167,1.5,0.25,-1.75,-0.29167,0,0,3.2705,0.54508,5.69868,2.42819,0.4047,1.63222,0.27204,2.77005,1.13783,0.18964,0.14395,0.02399,0.14395,0.02399,0,5.02,2,2,2,2,0,0,0.75,1.378783493,2.093069208,2.985228136,2.842370993,2.284702784,2.026509224,19.30296891,29.30296891,41.7931939,39.7931939,31.98583898,28.37112914,0.362136843,0.549743654,0.784068782,0.74654742,0.600076124,0.532261705,2.428571429,1.714285714,0.822126786,0.964983929,1.522652138,1.780845698,0.362136843,0.549743654,0.784068782,0.74654742,0.600076124,0.532261705,13.07637292,22.21850358,23.11764368,21.40335796,18.33583888,10.52658403,22.5008675,14.56892228,14.53762001,16.08678137,12.64792174,10.64770291,6,3.2,5.333333333,6,3,2,1.68,0.7466,0.25,1.154700538,1.154700538,0,0,0.5,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,2.36,5,3,2,0,0,0,0,0,0,21,1.945910149,2.079441542,1.609437912,1.386294361,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.444444444,0.25,0,0,0,0,0,0,0,0.3,0.088888889,0.083333333,0,0,0,0,0,0,0,0.472222222,11.05878487,17.23047975,22.11756974,3.686261623,11.05882313,0.076128935,0.012688156,-1.545196114,21.33947531,3.556579219,1.836335195,26.3,92.6843919,3.584962501,3.044522438,3.610917913,4.290459441,4.875197323,5.564520407,6.154858094,6.84694314,7.438971592,8.131824785,60.95821513,2.397895273,0,3.433987204,0,4.615120517,0,5.860786223,0,7.13169851,7.46565531,88.0524295,6.28945925,10.67917749,1.779862916,5.080776528,5.080776528,0,32,3,0.664,20,1.221846154,2.078999796,2.830771557,3.777853318,4.635781096,5.370356959,0,0,0,0,100.2979812,115.9679341,99.84953382,158.2629812,40.46203162,5.456626373,0,0,0,0,269.2995502,286.4956828,348.0718045,602.2803799,357.5136967,166.9308032,0,0,0,0,9.680924144,16.62232648,23.37184143,28.9619464,34.40247273,36.0805499,0,0,0,0,1.819896743,2.014854248,2.488268255,4.698747578,3.48483683,2.387730008,0,0,0,0,181.018701,343.4510096,491.2454865,581.1755541,793.6276623,993.0737994,0,0,0,0,4.273294872,8.348009857,9.738063985,13.47333783,11.99623737,5.370356959,0,0,0,0,0.441346154,0.540219673,0.667026033,1.097091202,0.842366142,0.549924553,0,0,0,0,348.3656134,217.0979195,14.25304049,137.157861,-85.47538885,-21.77868886,211.2077524,302.5733084,36.03172935,0.717505191,0.447141963,0.029356028,0.282494809,-0.176047902,-0.044856099,169.139683,105.4061362,6.920185739,66.59336121,-41.50030777,-10.57406468,0.414494309,0.507239415,2.815622003,10.55973553,411.5774028,73.94607157,0.847698257,0.152301743,461.8214523,21.49003146,7.729618049,539.317741,23.22321556,8.139821894,717.211036,26.78079603,8.951221855,1.502967545,1.155384845,278.2949217,227.119433,61.24641872,1.22532413,4.543856237,3.708289199,3.347515573,3.096569067,6.125551212,0.97817361,2.244430485,2.395993765,2.761524695,4.78071977,4.657226693,1.486647586,2.233681774,3.498391828,0.960777144,0.207703042,0.601113613,1.63E-06,1.24E-33,1.81E-82,5.12E-153,2.79E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.204867018,2.547043108,0.26159445,2.944470831,0.318548637,1.311254213,1.344775727,0.437941494,0.006776461,0.017429945,0.004233692,1.15E-08,8.71E-36,1.28E-84,3.60E-155,1.96E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.613918271,2.265954817,0.555912049,2.131588145,0.669872712,1.345010252,0.888490631,0.792860717,0.070535302,0.056266734,0.044118338,1.19E-07,9.08E-35,1.33E-83,3.76E-154,2.05E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.123674396,2.546566734,3.097921938,5.527152078,5.145387282,1.482295197,2.44508669,3.960244119,0.856039984,0.19605395,0.535581407,1.45E-06,1.10E-33,1.61E-82,4.56E-153,2.49E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.897220834,2.159145722,0.681679414,1.913332494,0.830653324,1.366987717,0.789940365,0.927806479,0.153192354,0.082927567,0.095830926,2.60E-07,1.97E-34,2.89E-83,8.16E-154,4.45E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.710497886,2.491427638,3.834716159,5.970728574,6.797863976,1.531734797,2.888157537,4.845569756,1.401180393,0.250835196,0.876667711,2.37E-06,1.80E-33,2.64E-82,7.46E-153,4.07E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.351294118,2.674879431,2.314930608,10.1015163,3.70273132,1.408627387,4.79021694,5.48747938,0.299330475,0.129402609,0.187258757,5.07E-07,3.85E-34,5.64E-83,1.59E-153,8.69E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.184515725,0.787546369,0.35688345,0.785242726,0.14778653,0.630708722,0.400736802,0.428556793,5.328945544,5.069946839,11.57500185,0.677864089,1.460002317,2.604642182,0.685544955,0.057162273,0.778120794,0.204802329,0.257414561,0.274903497,0.010994476,3.347349411,1.973673884,5.423092211,0.667181191,0.543312534,3.445066606,0.646810414,0.178175829,0.806797182,0.151475974,0.42894457,0.273499915,0.106820139,4.270052849,2.957378538,7.62446147,0.710195773,0.809264624,3.97749982,0.816944218,0.331828088,0.775904931,0.159364192,0.57010864,0.434180704,0.370494578,5.126272127,4.840326679,11.0448395,0.663857396,1.374783923,3.862265338,0.633260225,0.244636456,0.81479606,0.133594637,0.537409258,0.260306348,0.20137146,4.740162019,3.545588458,8.884086973,0.72219409,0.999087066,4.227859883,0.817198094,0.375240317,0.780005021,0.150766259,0.643841721,0.431329673,0.473777635,5.420298294,5.348108196,12.06486143,0.670007531,1.548949029,4.04036505,0.832682373,0.336194554,0.775614776,0.159847129,0.588325343,0.451304312,0.380309273,5.209241978,5.002632766,11.34294779,0.663422164,1.419938928 +UMLYSI0409,L,2-propanone,CC(=O)C,saturated alkanone,C3H6O,67-64-1,180,PubChem,,13,0,-0.244,0.059536,16.1948,10.082758,0,0,10,4,6,0,3,0,1,0,0,0,0,0,0,0,694.856748,553.334759,607.331011,169.40448,9.144576,0,0,0,0,1673.443949,1838.183004,1903.898071,1180.501482,279.7536999,0,0,0,0,76.284048,67.820708,110.62486,99.5328,60.466176,0,0,0,0,11.67758143,13.59840586,14.81652329,9.889873776,4.001516144,0,0,0,0,1675.340266,1325.667327,2461.722211,2029.840946,1664.258868,0,0,0,0,65.77777778,30.33333333,48,54,9,0,0,0,0,69.4856748,61.48163989,40.48873407,14.11704,1.016064,0,0,0,0,167.3443949,204.242556,126.926538,98.3751235,31.08374443,0,0,0,0,7.6284048,7.535634222,7.374990667,8.2944,6.718464,0,0,0,0,1.167758143,1.510933984,0.987768219,0.824156148,0.444612905,0,0,0,0,167.5340266,147.2963697,164.1148141,169.1534122,184.917652,0,0,0,0,6.577777778,3.37037037,3.2,4.5,1,0,0,0,0,0.111677226,-0.040577871,0.032844803,-0.056697272,0.008591727,0,0,0,0,357.528108,-38.477209,124.500355,-472.1472,207.36,0,0,0,0,465.6323026,-91.95808526,27.67671762,-432.4122617,263.877478,0,0,0,0,0.9667344,-2.56E-06,0.1408048,-0.83320128,0.20903184,0,0,0,0,2.048559472,-0.474341024,-0.47875704,-0.961276556,0.890094883,0,0,0,0,11.50836902,-2.685209217,-3.61310963,-3.859343795,4.403478133,0,0,0,0,30.93333333,-1.773333333,6.933333333,-27.38666667,6.76,0,0,0,0,0.011167723,-0.004508652,0.002189654,-0.004724773,9.55E-04,0,0,0,0,35.7528108,-4.275245444,8.300023667,-39.3456,23.04,0,0,0,0,46.56323026,-10.21756503,1.845114508,-36.03435514,29.31971978,0,0,0,0,0.09667344,-2.84E-07,0.009386987,-0.06943344,0.02322576,0,0,0,0,0.204855947,-0.052704558,-0.031917136,-0.08010638,0.098899431,0,0,0,0,1.150836902,-0.29835658,-0.240873975,-0.321611983,0.489275348,0,0,0,0,3.093333333,-0.197037037,0.462222222,-2.282222222,0.751111111,0,0,0,0,-0.403721735,0.196069837,-0.423073964,0.085481738,0,0,0,0,-0.119577883,0.232150242,-1.100489699,0.644424857,0,0,0,0,-0.219434197,0.039625999,-0.773880054,0.629675382,0,0,0,0,-2.94E-06,0.097099955,-0.71822664,0.240249649,0,0,0,0,-0.257276193,-0.155802829,-0.391037608,0.482775496,0,0,0,0,-0.259251836,-0.209303312,-0.27945922,0.425147427,0,0,0,0,-0.063697318,0.149425287,-0.737787356,0.242816092,0,0,0,0,1.007638134,0.610889734,2.230659232,0,0,0,0,0,1.038100476,0.636205371,2.176167929,0,0,0,0,0,1.487453885,0.914667102,1.491075708,0,0,0,0,0,0.50001324,0.555858155,2.680167376,0,0,0,0,0,1.657742868,1.104980423,1.12546732,0,0,0,0,0,1.666633262,1.144891501,1.068910678,0,0,0,0,0,0.560344828,0.510775862,2.691271552,0,0,0,0,0,7.301633913,3.775816957,5.775816957,7.426633913,1.856658478,3.824645855,0.25,3.33E-16,8.33E-17,-14.25527531,3000000,750000,5.965649139,7.303078629,3.776172104,5.776172104,7.427711419,1.856927855,3.824970986,0.249265579,2.22E-16,5.55E-17,-14.41746136,3000000,750000,5.965649139,8.579682257,4.09034389,6.09034389,8.380185018,2.095046255,4.1206693,-0.398994478,4.44E-16,1.11E-16,-14.14020248,3000000,750000,5.965649139,7.304594871,3.776544836,5.776544836,7.428842271,1.857210568,3.825312245,0.2484948,5.55E-16,1.39E-16,-14.05094506,3000000,750000,5.965649139,9.927899924,4.42280283,7.247830828,9.386752792,2.346688198,4.443012851,-1.082294264,0.092160796,0.023040199,-0.953688176,16.81619711,4.204049276,1.128937014,7.452860844,3.812997515,5.812997515,7.539427937,1.884856984,3.858832358,0.173134186,4.44E-16,1.11E-16,-14.14020248,3000000,750000,5.965649139,7.249413137,3.81544775,5.900632935,7.276927246,1.819231812,3.871289415,0.707936508,4.44E-16,1.11E-16,-14.14020248,3000000,750000,5.965649139,0,11.89,15.99491539,-0.29979485,0.18866563,3.486497794,5.155392082,3,9,8,8,2,1,1,0,0,1,7.517242,3.417437809,2.333552793,1.931771938,0.083923071,0.083923071,0.083923071,0.083923071,0.229179524,1.704078179,1.249629723,0.229179524,0.083923071,0.083923071,0.083923071,0.083923071,1.931771938,3.340463536,2.405454588,1.733401433,0.270913902,0.270913902,0.270913902,0.270913902,0.401249781,1.686902182,1.134540686,0.401249781,0.270913902,0.270913902,0.270913902,0.270913902,1.733401433,3.52091983,2.704236987,2.169411917,0.943918427,0.943918427,0.943918427,0.943918427,0.047747506,1.463498043,0.76031856,0.047747506,0.943918427,0.943918427,0.943918427,0.943918427,2.169411917,3.331938259,2.457539916,1.686030359,0.399277246,0.399277246,0.399277246,0.399277246,0.459005209,1.679446643,1.058262671,0.459005209,0.399277246,0.399277246,0.399277246,0.399277246,1.686030359,3.551601262,2.838982085,2.203037472,1.207644823,1.207644823,1.207644823,1.207644823,0.087788154,1.425395991,0.631337262,0.087788154,1.207644823,1.207644823,1.207644823,1.207644823,2.203037472,4.502896294,2.815110723,2.546278942,0.529411765,0.529411765,0.529411765,0.529411765,0.336619273,1.478155702,0.958043648,0.336619273,0.529411765,0.529411765,0.529411765,0.529411765,2.546278942,0,0,0,1,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.577350269,0,0,0,0.204124145,0,0,0,0,0,0,0,0,0,3.577350269,1.732050808,1.732050808,0,0,0,0,0,0.894337567,0.577350269,0.577350269,0,0,0,0,0,2.90824829,1.204124145,0.90824829,0,0,0,0,0,0.727062073,0.401374715,0.30274943,0,0,0,0,0,5.340282516,9.994173343,9.525490196,9.68,5.875902994,77.23928623,0.534028252,0.999417334,0.95254902,0.968,0.587590299,7.723928623,0.5953,16.355,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,9,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.444444444,0.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.802777778,0,0,0,0,0,0,0,0,0,0,3.055555556,0,0,0,0,0,0,0,0,0.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.444444444,0.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0,0,0,0,0,0,0,0,0,0,1.527777778,0,0,0,0,0,0,0,0,0.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.444444444,0.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.401388889,0,0,0,0,0,0,0,0,0,0,1.527777778,0,0,0,0,0,0,0,0,0.166666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.66666667,3.166666667,0.722222222,9.444444444,0.375,0.166666667,1.2965,1.5,2.444444444,4.888888889,1.5,2.444444444,4.888888889,1.83333,0.45833,0,0.04167,0.53667,0.89167,0.41429,0.53667,0.89167,0.12238,0,-0.12238,0,0.51402,0.20027,0,0.72727,0.27273,0,3.25,0.8125,1.75,0.4375,1.5,0.375,-0.25,-0.0625,0,0,1.82035,0.45509,3.23204,1.41169,0.35292,0.93545,0.23386,1.73204,0.79659,0.19915,0.18196,0.04549,0.18196,0.04549,0,3.01,1,1,1,1,0,0,0.666666667,1.295461844,1.570950594,1.570950594,1.238757785,0.442179356,0,12.95461844,15.70950594,15.70950594,12.38757785,4.421793565,0,0.389972873,0.472903251,0.472903251,0.372903251,0.13310925,0,2.026466251,1.7509775,1.7509775,2.08317031,2.879748738,3.321928095,0.389972873,0.472903251,0.472903251,0.372903251,0.13310925,0,12.01211119,15.31797619,15.31797619,11.33166248,0.445639424,0,14.69023282,12.8764029,12.8764029,10.88324604,2.653076139,0,4,1.333333333,0,4,1,3,1.68,0.547,0.5,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.003,0.419,0.403,0.598,0.179,1.891,3,0,0,0,0,0,0,0,0,10,1.609437912,1.791759469,0,0,0,0,0,0,0,0,2.63905733,1.3,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.666666667,0,1,2,1,1.5,0,0,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0.5,4.645751311,6.645751311,9.291502622,2.322875656,4.66284003,1.11E-16,2.78E-17,-14.69472023,3000000,750000,5.965649139,17.07,66.59818058,3,2.564949357,2.944438979,3.610917913,4.007333185,4.691347882,5.093750201,5.783825182,6.188264123,6.880384082,48.76521091,1.945910149,0,2.944438979,0,4.007333185,0,5.093750201,0,6.188264123,6.59441346,58.04186481,5.804186481,6.732050808,1.683012702,2.244016936,2.244016936,0,9,0,0.185,12,1.211555556,2.075558911,2.964444264,3.455839438,0,0,0,0,0,0,83.15270551,96.7130536,41.69140174,3.511354043,0,0,0,0,0,0,267.7869302,289.3954037,292.9119095,107.4204299,0,0,0,0,0,0,9.156639517,15.47784348,24.49591298,23.21793286,0,0,0,0,0,0,1.941230202,2.180243476,2.465881258,1.536510811,0,0,0,0,0,0,176.7173868,336.6372425,500.1874773,639.0457147,0,0,0,0,0,0,4.167703704,7.280426158,13.14375505,3.455839438,0,0,0,0,0,0,0.431131667,0.528756373,0.660673963,0.353877958,0,0,0,0,0,0,293.9577447,91.68237298,16.04317247,154.3936528,-48.15377964,-16.84500725,139.5640919,139.8361526,32.88817972,0.655641415,0.20448776,0.035782586,0.344358585,-0.107401873,-0.037570993,131.7963656,41.10592005,7.192978796,69.22260998,-21.58981439,-7.55248254,0.405613016,0.961195961,29.53009917,52.06490991,394.1845969,54.16680057,0.879186725,0.120813275,258.0508908,16.06396249,6.366515307,316.1731073,17.78125719,6.812528139,347.8369697,18.65038792,7.032751083,1.188747179,1.090502439,101.7571194,59.03708016,49.46173625,1.723613687,2.057289677,1.193590938,2.687874941,2.139642451,4.126646124,0.928661549,1.686618357,1.984186181,1.174225066,4.475593941,1.018533209,1.184963272,0.410417466,1.77E-06,1.50E-33,2.45E-82,7.72E-153,4.69E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.158039956,1.984130405,0.073900387,1.424009422,0.11171632,0.086786565,0.002890604,1.24E-08,1.05E-35,1.72E-84,5.43E-155,3.30E-247,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.462794319,1.984016451,0.254793748,1.476907459,0.203014914,0.288266623,0.03012232,1.30E-07,1.10E-34,1.80E-83,5.66E-154,3.44E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.597140986,1.984238443,1.09140293,4.67381541,1.255634126,1.11024958,0.365674574,1.57E-06,1.33E-33,2.18E-82,6.87E-153,4.18E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.674498251,1.983980593,0.391948735,1.603273218,0.210936778,0.433174038,0.065429704,2.82E-07,2.39E-34,3.90E-83,1.23E-153,7.48E-246,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.036858937,1.984283395,1.498435905,5.938953258,1.468510199,1.47284242,0.598555303,2.58E-06,2.18E-33,3.57E-82,1.13E-152,6.84E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.981244107,1.854121163,0.488618225,5.387537575,1.891954192,0.620114695,0.115030501,4.95E-07,4.20E-34,6.86E-83,2.16E-153,1.31E-245,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.926207306,0.697470703,0.33446763,0.651153642,0.235779704,0.648317473,0.328468477,0.4,2.958145639,2.22100853,5.628502454,0.476730463,1.37678595,1.072858391,0.958388746,0.058048101,0.51350253,0.45871389,0.790034971,0.160073073,0.012048357,2.089295238,1.146125447,3.295106637,0.45832463,0.962156401,1.427285749,0.693901905,0.169676287,0.623033836,0.302899658,0.356097641,0.324899585,0.102942357,2.290863941,1.350311545,3.809222253,0.434550754,0.783939582,1.837758428,0.791172343,0.31589422,0.624063716,0.268665318,0.59025209,0.422517097,0.356808478,2.94482499,2.284447676,5.688577694,0.436095575,1.369577665,1.645928117,0.565882062,0.22727624,0.674813366,0.232005745,0.473355839,0.216232877,0.184697016,2.439086418,1.434093097,4.084864878,0.512220049,0.874285732,1.970904252,0.727704765,0.352605072,0.645940991,0.23849679,0.678765399,0.35755243,0.444558497,3.051214088,2.385779642,5.942712765,0.468911486,1.480876327,1.83743659,0.793018832,0.315256676,0.623766522,0.269211249,0.590048091,0.424488182,0.355369696,2.945712099,2.286390453,5.691469934,0.435649783,1.369905969 +UMLYSI0410,L,trimethoxymethane,COC(OC)OC,other multi-oxygen compounds,C4H10O3,149-73-5,9005,PubChem,,12.8,0,0.563,0.316969,25.3353,16.11393,0,0,17,7,10,0,4,0,3,0,0,0,0,0,0,0,1355.121127,1274.054814,1403.364846,1298.26899,732.222795,217.927584,27.433728,0,0,2654.077382,2963.743176,3183.640304,3193.216409,3026.549756,2065.259095,839.2610996,0,0,137.401852,131.379624,236.796888,145.614888,253.568748,128.117376,181.398528,0,0,17.53134105,19.1714831,20.71504398,21.39857172,21.99403989,20.04379758,12.00454843,0,0,2912.707802,2451.285448,4823.207114,2757.530543,5377.958917,2756.205859,4992.776605,0,0,60.52777778,54.33333333,95.75,60,84,36,27,0,0,79.71300747,79.62842587,51.97647578,72.126055,24.4074265,12.107088,1.016064,0,0,156.122199,185.2339485,117.9126038,177.4009116,100.8849919,114.7366164,31.08374443,0,0,8.082461882,8.2112265,8.770255111,8.089716,8.4522916,7.117632,6.718464,0,0,1.031255356,1.198217694,0.767223851,1.18880954,0.733134663,1.11354431,0.444612905,0,0,171.3357531,153.2053405,178.6373005,153.1961413,179.2652972,153.1225477,184.917652,0,0,3.560457516,3.395833333,3.546296296,3.333333333,2.8,2,1,0,0,0.45286437,-0.257846096,0.105535827,0.062724652,-0.252136477,0.039347765,0.075942144,0,0,692.6701481,35.73877942,19.15446846,-24.65155283,-572.838575,-543.5129902,739.7747961,0,0,701.2881433,-270.9001473,331.2139576,-372.3278369,160.2068756,-912.8492062,714.0122855,0,0,2.628089882,-0.194569301,0.323279128,-0.163416581,-2.910198851,0.280374478,1.350486187,0,0,2.932146316,-2.488040871,2.701034463,-2.874420324,2.848849363,-3.477415071,1.823919281,0,0,16.78799184,-15.88068562,16.99490449,-17.83942758,17.89036511,-17.62867761,8.069525282,0,0,14.95751634,-1.558054594,-0.510957324,5.103806228,-17.3171857,-4.160899654,10.96453287,0,0,0.026639081,-0.016115381,0.003908734,0.003484703,-0.008404549,0.002185987,0.002812672,0,0,40.74530283,2.233673714,0.709424758,-1.369530713,-19.09461917,-30.19516612,27.39906652,0,0,41.25224373,-16.9312592,12.26718362,-20.68487983,5.340229186,-50.71384479,26.44489946,0,0,0.154593522,-0.012160581,0.011973301,-0.009078699,-0.097006628,0.01557636,0.050018007,0,0,0.172479195,-0.155502554,0.100038313,-0.159690018,0.094961645,-0.193189726,0.067552566,0,0,0.987528932,-0.992542851,0.629440907,-0.99107931,0.596345504,-0.979370978,0.298871307,0,0,0.879853902,-0.097378412,-0.018924345,0.28354479,-0.577239523,-0.231161092,0.40609381,0,0,-0.604952597,0.146729326,0.13081168,-0.31549697,0.082059398,0.105584424,0,0,0.054820398,0.017411203,-0.03361199,-0.46863363,-0.741071094,0.672447242,0,0,-0.410432444,0.297370095,-0.501424358,0.12945306,-1.229359671,0.641053603,0,0,-0.078661648,0.077450212,-0.058726257,-0.62749478,0.100756873,0.323545296,0,0,-0.901572821,0.580002205,-0.9258509,0.550568695,-1.120075532,0.391656315,0,0,-1.005077238,0.637389839,-1.003595214,0.603876488,-0.991739023,0.302645621,0,0,-0.110675661,-0.021508509,0.322263491,-0.656062923,-0.262726677,0.461546865,0,0,1.697005104,1.39736913,1.266446562,1.609283821,0.002466615,0,0,0,0.942789983,1.153565359,0.993396978,1.557313234,1.398252941,0,0,0,1.752465235,0.423080544,1.843097852,0.571158735,2.568158787,0,0,0,0.986256984,1.525865621,0.884694247,2.059918588,0.072192356,0,0,0,2.487049634,0.022167677,2.515811306,0.029926364,2.745904675,0,0,0,2.621607101,8.14E-05,2.619778962,1.10E-04,2.605153846,0,0,0,1.000983177,1.512101571,0.519991261,2.005680577,0.534848154,0,0,0,20.86170793,10.80585396,14.66740946,21.39742221,3.056774602,10.80592403,0.75,2.78E-16,3.97E-17,-25.07435689,3000018.234,428574.0334,10.43989025,20.88441313,10.81610494,14.68168474,21.41855366,3.05979338,10.81617423,0.747796737,3.05E-16,4.36E-17,-25.00763976,3000022.352,428574.6217,10.43989121,40.94141663,19.8722166,27.31296004,40.08642847,5.726632638,19.8722166,-1.196983434,9.02E-17,1.29E-17,-25.86110795,3000025.348,428575.0498,10.43989191,20.90824246,10.82686343,14.69666688,21.44073132,3.062961617,10.82693193,0.745484401,2.78E-17,3.97E-18,-26.68616645,3000019.079,428574.1542,10.43989044,62.09440342,29.42376031,40.65239066,59.77520142,8.539314489,29.42376031,-3.246882793,5.62E-16,8.03E-17,-24.5804581,3000026.566,428575.2237,10.43989219,23.23844536,11.87892396,16.16218378,23.60944719,3.37277817,11.87894615,0.519402558,6.94E-17,9.91E-18,-26.04476294,3000048.192,428578.3131,10.43989724,16.9258689,9.114720166,12.34705227,17.85699135,2.550998765,9.11518198,1.303571429,1.11E-16,1.59E-17,-25.7157604,3000009.105,428572.7293,10.43988812,0,11.9964614,15.99870091,-0.363040973,0.271048064,4.245776966,5.909755513,6,16,16,16,6,0,0,0,0,0,16.68007,3.413223126,2.792395245,2.792395245,2.162857666,1.018637612,1.018637612,0.409859503,0.083923071,1.560913941,1.395080814,1.395080814,0.925151239,0.083923071,0.083923071,0.083923071,0.083923071,3.193041769,2.722087809,2.722087809,2.204223794,0.607375549,0.607375549,0.378171221,0.270913902,1.639137152,1.343750351,1.343750351,0.879672723,0.270913902,0.270913902,0.270913902,0.270913902,3.502784942,3.028314638,3.028314638,2.499625174,1.232329453,1.232329453,1.032978784,0.943918427,1.306822972,0.986062882,0.986062882,0.510066292,0.943918427,0.943918427,0.943918427,0.943918427,3.136090502,2.730940909,2.730940909,2.239091625,0.460163917,0.460163917,0.418107411,0.399277246,1.684285239,1.31158806,1.31158806,0.830210286,0.399277246,0.399277246,0.399277246,0.399277246,3.500834305,3.106744481,3.106744481,2.613478045,1.208950731,1.208950731,1.208046626,1.207644823,1.29205575,0.898664316,0.898664316,0.405627507,1.207644823,1.207644823,1.207644823,1.207644823,3.670324608,3.102302772,3.102302772,2.342930243,1.527285879,1.527285879,0.852235429,0.545454545,1.320328831,1.084134106,1.084134106,0.726979631,0.545454545,0.545454545,0.545454545,0.545454545,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.204124145,0,0,0,0.03928371,0,0,0,0.612372436,0.612372436,0,0.11785113,0.11785113,0,5.698670613,3.346065215,2.090770275,1.732050808,0.866025404,0,0,0,0.814095802,0.557677536,0.348461713,0.288675135,0.288675135,0,0,0,4.802095141,1.931851653,0.995781916,0.577350269,0.288675135,0,0,0,0.686013592,0.321975275,0.165963653,0.096225045,0.096225045,0,0,0,8.853536332,17.43117261,16.6745098,17,9.433491018,132.8621437,0.520796255,1.025363095,0.980853518,1,0.554911236,7.815420218,0.2092,24.815,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,36,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.8125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.534722222,0,0,0,0,0,-0.513888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.8125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.604166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.511574074,0,0,0,0,0,-0.513888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.604166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.604166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.511574074,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.604166667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.83333333,2.547619048,0.95,4.604166667,0.375,-0.513888889,1.740597222,1.847222222,1.104166667,6.625,1.847222222,1.104166667,6.625,2.99999,0.42857,0,0.07143,0.6,1.02857,0.42174,0.6,1.02857,0.17826,0,-0.17826,0,0.41666,0.29763,0,0.5,0.16667,0,4.5,0.64286,4.5,0.64286,0,0,-4.5,-0.64286,0,0,4.00184,0.57169,7.12629,3.12446,0.44635,1.82136,0.26019,3.34606,1.5247,0.21781,0.06794,0.00971,0.06794,0.00971,0,6.03,3,3,3,3,0,0,1,1.383099991,1.573988962,1.849868723,1.849868723,1.609429732,0.927373034,23.51269985,26.75781235,31.44776828,31.44776828,27.36030544,15.76534158,0.338376163,0.385077253,0.452571386,0.452571386,0.393747856,0.226882316,2.70436285,2.51347388,2.237594119,2.237594119,2.478033109,3.160089807,0.345774998,0.39349724,0.462467181,0.462467181,0.402357433,0.231843259,13.41148853,15.70215618,15.98019471,15.98019471,13.09492682,5.788968864,26.88999599,24.49372321,24.60281458,24.60281458,23.16018063,12.32091667,7,4.166666667,2.666666667,7,0,0,1.57,0.8483,0.75,0,1.5,0,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0.003,0.736,0.762,0.643,0.067,2.622,6,6,3,0,0,0,0,0,0,28,1.945910149,1.945910149,1.945910149,1.386294361,0,0,0,0,0,0,3.36729583,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.5,6,1,0,2,4,1,1.5,0.666666667,0.375,0,0,0,0,0,0,0,0.25,0.111111111,0.0625,0,0,0,0,0,0,0,0.423611111,14.29694763,19.53301561,28.59389526,4.08484218,14.29694932,2.22E-16,3.17E-17,-25.23055737,3000012.384,428573.1976,10.43988888,27.69,104.1110773,3.807354922,3.218875825,3.891820298,4.574710979,5.262690189,5.953243334,6.64509097,7.337587744,8.030409562,8.723394022,66.63782292,2.564949357,0,3.610917913,0,4.890349128,0,6.248042875,0,7.627057417,7.921535632,106.0629942,6.238999658,12.6691974,1.809885343,8.053171996,8.053171996,0,48,6,-0.049,24,1.221375,2.024848554,2.804214316,3.292625532,3.911156239,4.224895911,0,0,0,0,109.4522103,116.4467608,211.8768563,84.83099458,47.35271276,4.292764639,0,0,0,0,238.9736945,254.5861442,507.514114,344.6576237,448.7528329,131.3255847,0,0,0,0,10.22651727,18.00290629,22.84110467,27.92439213,27.8381708,28.38481108,0,0,0,0,1.478767266,1.619231103,3.345740368,2.482993594,4.355245775,1.878443244,0,0,0,0,187.1361272,360.2708169,429.6066082,588.6056677,598.8862077,781.2578319,0,0,0,0,4.41175,7.578249282,9.640745172,9.369019544,7.822312477,4.224895911,0,0,0,0,0.41931,0.493781631,0.910171115,0.706688005,0.938677497,0.432629341,0,0,0,0,361.0524445,360.76985,22.84013668,91.07540916,-91.00412477,-30.33470826,269.9770353,451.7739748,53.17484494,0.798562711,0.797937679,0.050516987,0.201437289,-0.201279625,-0.067093208,163.2418668,163.1140979,10.32666197,41.17772926,-41.1454996,-13.71516653,0.271239729,0.333333333,3.778844802,16.99238924,347.1206919,105.0071618,0.767748965,0.232251035,586.0793934,24.20907667,8.368587293,682.9497542,26.13330737,8.806356264,999.456123,31.61417598,9.998186748,1.882118111,1.882118111,303.5826899,238.8504859,104.3846054,1.271015584,2.908309026,2.288177314,3.410708117,2.999255685,5.948881152,0.983452489,2.789006111,3.191306958,11.16521192,3.341998123,11.5067452,8.181557943,9.202060801,2.436561244,5.274195831,0.160181882,1.540415884,1.29E-13,2.08E-48,6.47E-105,3.89E-183,4.50E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.234062674,3.076293172,1.284101043,1.428244182,0.828554408,1.565524898,0.67982081,1.021801738,0.074114401,0.001132322,0.010849275,9.08E-16,1.46E-50,4.56E-107,2.74E-185,3.17E-285,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.755580783,1.721375867,2.031205503,1.317541008,2.38692059,1.782310422,1.538593702,1.141211638,0.482073584,0.0117671,0.113057811,9.46E-15,1.53E-49,4.75E-106,2.85E-184,3.30E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.632594483,3.888721181,13.48151395,3.530615051,11.289793,8.594000303,9.574081262,2.290032953,4.72466806,0.142722029,1.37248282,1.15E-13,1.85E-48,5.77E-105,3.46E-183,4.01E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.113586724,1.251882976,2.130015674,1.468265891,3.480465455,2.089902875,2.084037787,1.273472864,0.956158977,0.025549507,0.245576672,2.05E-14,3.32E-49,1.03E-105,6.20E-184,7.17E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.368128793,4.079123561,16.26553237,4.058570479,15.13009925,11.2662264,12.95162815,3.047125274,7.571340206,0.233596691,2.246551796,1.88E-13,3.03E-48,9.44E-105,5.67E-183,6.56E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.604255422,4.326982468,10.70712295,3.492305633,5.625588906,6.195924272,5.939254211,1.673163103,1.712245297,0.047673471,0.458305552,3.83E-14,6.19E-49,1.93E-105,1.16E-183,1.34E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.465974289,1.143994488,0.37483068,0.695308672,0.229496592,0.535312645,0.399808785,0.562890945,4.984799457,5.693013212,12.16403711,0.542963008,1.498012375,2.090696735,0.815298221,0.196139788,0.673954198,0.262818442,0.195302289,0.295299667,0.062897632,3.102134744,2.274522563,5.710985681,0.510931298,0.553499588,2.854558,0.918375102,0.272785032,0.705575106,0.22699928,0.362933396,0.273369834,0.269426375,4.045718133,3.65075467,8.411593765,0.558362659,0.905729604,3.284283515,1.099590791,0.382944618,0.68898852,0.230676014,0.480543996,0.374721806,0.583128734,4.766818924,5.290148979,11.43992181,0.53348278,1.438394536,3.228392409,1.015201061,0.285577861,0.712799798,0.224147198,0.464351057,0.317159527,0.326558494,4.529171331,4.489343745,9.954487206,0.569199697,1.108069078,3.493522262,1.162656765,0.390498186,0.692242066,0.230380648,0.543864149,0.412842523,0.610794702,5.046677213,5.879996756,12.51278673,0.538363099,1.567501375,3.384801199,1.121134205,0.376192287,0.693304521,0.229640492,0.510458155,0.386116781,0.567267398,4.882127691,5.489914548,11.7996229,0.539956781,1.463842334 +UMLYSI0411,L,"1,1,1-trimethoxyethane",CC(OC)(OC)OC,other multi-oxygen compounds,C5H12O3,1445-45-0,15050,PubChem,,12.7,0,0.9751,0.95082001,30.1884,19.207516,0,0,20,8,12,0,5,0,3,0,0,0,0,0,0,0,1501.417376,1442.533111,1970.845293,1839.883017,941.005803,245.361312,27.433728,0,0,3139.761773,3616.733311,4283.249,4857.679941,4812.055151,2904.520194,839.2610996,0,0,158.379296,153.155404,279.993324,232.124052,321.219948,309.515904,181.398528,0,0,21.20946686,24.18747172,27.80323166,31.23755066,38.03632133,32.04834601,12.00454843,0,0,3409.337462,2884.324899,5741.804869,4345.204458,6469.905908,7748.982463,4992.776605,0,0,66.3125,60.625,112.5,96.75,111,63,27,0,0,75.0708688,75.92279532,59.72258464,68.14381544,24.12835392,5.4524736,1.016064,0,0,156.9880886,190.3543848,129.7954243,179.9140719,123.3860295,64.54489321,31.08374443,0,0,7.9189648,8.060810737,8.484646182,8.597187111,8.236408923,6.8781312,6.718464,0,0,1.060473343,1.273024827,0.842522172,1.156946321,0.97529029,0.712185467,0.444612905,0,0,170.4668731,151.8065736,173.9940869,160.9334985,165.8950233,172.1996103,184.917652,0,0,3.315625,3.190789474,3.409090909,3.583333333,2.846153846,1.4,1,0,0,0.440046177,-0.291966148,0.241944843,-0.039644451,-0.290606088,0.084275426,0.075973329,0,0,779.6402808,35.78385744,347.8993253,-251.6545685,-1331.265613,134.5788486,674.8380097,0,0,851.4238145,-271.6904071,438.2420843,-109.5004204,-988.0178241,-202.8946346,708.1492947,0,0,2.7196152,-0.12122964,1.08976452,-1.68183252,-2.91519684,1.2123162,1.05637068,0,0,3.617246534,-2.442457261,1.982904458,-0.443544407,-1.301370811,-1.588274125,1.98411888,0,0,20.57066884,-15.50996719,11.31372947,-3.127344287,-2.838596475,-9.255970601,9.132814667,0,0,15.909375,-2.61703125,7.54640625,-3.08390625,-24.07640625,4.95703125,9.31921875,0,0,0.022002309,-0.015366639,0.007331662,-0.001468313,-0.007451438,0.001872787,0.002813827,0,0,38.98201404,1.883360918,10.5424038,-9.320539573,-34.13501572,2.99064108,24.99400036,0,0,42.57119072,-14.29949511,13.28006316,-4.055571126,-25.33379036,-4.508769658,26.22775166,0,0,0.13598076,-0.006380507,0.033023167,-0.062290093,-0.074748637,0.02694036,0.03912484,0,0,0.180862327,-0.128550382,0.060088014,-0.016427571,-0.033368482,-0.035294981,0.073485884,0,0,1.028533442,-0.816314063,0.342840287,-0.115827566,-0.072784525,-0.205688236,0.338252395,0,0,0.79546875,-0.137738487,0.228678977,-0.11421875,-0.61734375,0.11015625,0.34515625,0,0,-0.69841031,0.333222389,-0.066734496,-0.338666192,0.08511776,0.127887805,0,0,0.048313587,0.270442768,-0.239098461,-0.875660649,0.076718486,0.641167497,0,0,-0.335896057,0.311949535,-0.095265626,-0.59509236,-0.105911288,0.616091568,0,0,-0.046922133,0.242851763,-0.458080197,-0.549700097,0.19811891,0.287723351,0,0,-0.710763731,0.33223068,-0.090829146,-0.184496589,-0.195148327,0.40630841,0,0,-0.793667983,0.333329256,-0.112614293,-0.070765346,-0.199982059,0.328868641,0,0,-0.173153863,0.287477009,-0.143586722,-0.776075427,0.13847967,0.433902966,0,0,1.821134329,1.337774671,1.977744766,1.474928792,0.007345601,0,0,0,0.992904683,0.898552361,1.447586014,1.944721038,0.590080894,0,0,0,1.70785745,0.517231966,1.233085209,1.589080829,1.004768902,0,0,0,0.961786064,1.343815244,1.980847062,1.856566948,0.033137335,0,0,0,2.294236136,0.433266904,1.336779672,1.242087931,1.05727167,0,0,0,2.405290353,0.462958319,1.412143811,1.165348354,1.009897557,0,0,0,1.084266352,1.173907609,1.555031755,1.998096188,0.238852878,0,0,0,25.28449179,13.0172459,16.8788014,25.84699179,3.230873974,13.01725388,0.75,1.11E-16,1.39E-17,-29.38944046,4000010.026,500001.2533,12.16144594,25.30804723,13.02792198,16.89350179,25.86889478,3.233611847,13.02792988,0.747796737,6.11E-16,7.63E-17,-28.02564198,4000009.454,500001.1818,12.16144583,46.29384768,22.54843212,29.98917557,45.39611011,5.674513764,22.54843213,-1.196983434,1.67E-16,2.08E-17,-29.06506837,4000013.661,500001.7076,12.16144667,25.33276968,13.03912704,16.90893049,25.89188298,3.236485372,13.03913484,0.745484401,5.55E-17,6.94E-18,-29.9439582,4000010.586,500001.3232,12.16144605,68.58959222,32.67135471,43.89998506,66.15443012,8.269303766,32.67135471,-3.246882793,2.22E-16,2.78E-17,-28.83492271,4000021.604,500002.7005,12.16144826,27.75401662,14.13670959,18.4199694,28.14356853,3.517946067,14.13671201,0.519402558,1.11E-16,1.39E-17,-29.38944046,4000009.257,500001.1572,12.16144579,23.98590758,12.61009665,16.09919747,24.91162187,3.113952734,12.61011045,1.234285714,8.33E-17,1.04E-17,-29.61958611,4000010.134,500001.2668,12.16144596,0,11.9964005,15.99870153,-0.360920765,0.279331124,4.564277133,7.167253855,7,19,19,19,7,0,0,0,0,0,18.866484,3.515355956,2.792395245,2.792395245,2.541620649,1.815505976,1.018637612,1.018637612,0.083923071,1.65333446,1.395080814,1.395080814,1.340935636,0.37833737,0.083923071,0.083923071,0.083923071,3.333731497,2.722087809,2.722087809,2.584979195,1.775135419,0.607375549,0.607375549,0.270913902,1.713118637,1.343750351,1.343750351,1.242642392,0.481458174,0.270913902,0.270913902,0.270913902,3.591166508,3.028314638,3.028314638,2.858344794,2.152768809,1.232329453,1.232329453,0.943918427,1.43095491,0.986062882,0.986062882,0.894761803,0.058063762,0.943918427,0.943918427,0.943918427,3.290082901,2.730940909,2.730940909,2.623739373,1.777229286,0.460163917,0.460163917,0.399277246,1.749880087,1.31158806,1.31158806,1.176476418,0.485901042,0.399277246,0.399277246,0.399277246,3.590733225,3.106744481,3.106744481,2.974903926,2.239855319,1.208950731,1.208950731,1.207644823,1.416180825,0.898664316,0.898664316,0.7830387,0.018402774,1.207644823,1.207644823,1.207644823,3.712660347,3.091135815,3.091135815,2.745159499,2.076177269,1.51423398,1.51423398,0.540540541,1.480400447,1.091856281,1.091856281,1.047731943,0.195053914,0.540540541,0.540540541,0.540540541,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0.926776695,0.176776695,0,0,0.284020691,0.034020691,0,0,2.030330086,1.810660172,0,0.602062073,0.454124145,0,6.621320344,3.681980515,2.871320344,2.560660172,0.75,0,0,0,0.827665043,0.525997216,0.319035594,0.284517797,0.25,0,0,0,5.724744871,2.337117307,1.474744871,1.112372436,0.25,0,0,0,0.715593109,0.333873901,0.163860541,0.123596937,0.083333333,0,0,0,10.39536414,20.31900947,19.4,19.76,11.23204551,155.8903988,0.519768207,1.015950473,0.97,0.988,0.561602275,7.79451994,0.5993,29.432,16.6704935,21.90656147,33.34098699,4.167623374,16.67049366,1.43E-16,1.79E-17,-29.18630829,4000190.21,500023.7762,12.16148198,41,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,4,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.533333333,0,0,0,0,0,0,0,0,0,0,0,6.25,0,0,0,0,0,0,0,0,0,0,0,-0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.791666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.533333333,0,0,0,0,0,0,0,0,0,0,0,1.520833333,0,0,0,0,0,0,0,0,0,0,0,-0.875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.791666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.791666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.533333333,0,0,0,0,0,0,0,0,0,0,0,1.6875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.791666667,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.75,2.46875,0.75,4.791666667,0.263888889,-0.875,2.485625,2.125,1.291666667,7.75,2.125,1.291666667,7.75,3.49999,0.4375,0,0.0625,0.575,0.9875,0.42308,0.575,0.9875,0.15192,0,-0.15192,0,0.44304,0.27125,0,0.57143,0,0.14286,5,0.625,5,0.625,0,0,-5,-0.625,0,0,5.83309,0.72914,9.40685,3.57376,0.44672,2.18412,0.27302,3.68198,1.49786,0.18723,0.23202,0.029,0.23202,0.029,0,7.03,3,3,3,3,0,0,1,1.352724196,1.695461844,2.182228719,2.182228719,1.966132314,1.33949107,27.05448391,33.90923688,43.64457438,43.64457438,39.32264628,26.78982141,0.312990907,0.392292932,0.504920182,0.504920182,0.454920182,0.30992905,2.969203899,2.626466251,2.139699376,2.139699376,2.355795781,2.982437025,0.318443333,0.39912683,0.513716091,0.513716091,0.462845072,0.315328137,13.01226907,17.12512086,17.6156967,17.6156967,15.02253984,5.862753335,30.15922842,25.14219238,25.73328715,25.73328715,24.43670872,13.28705415,8,3.111111111,2.222222222,8,0,2,1.68,0.9892,1.732050808,0,0,2.37841423,0,0,0,0,0,0,0,0,1.5,0,0,0,0,0,0,0.003,0.769,0.789,0.603,0.061,2.937,9,9,3,0,0,0,0,0,0,36,2.079441542,2.302585093,2.302585093,1.386294361,0,0,0,0,0,0,3.610917913,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.428571429,7,1,0,2,4,1,3,1.333333333,0.375,0,0,0,0,0,0,0,0.428571429,0.148148148,0.041666667,0,0,0,0,0,0,0,0.618386243,16.6704935,21.90656147,33.34098699,4.167623374,16.67049366,1.43E-16,1.79E-17,-29.18630829,4000190.21,500023.7762,12.16148198,27.69,121.4070619,4,3.496507561,4.234106505,5.030437921,5.789960171,6.591673732,7.35436233,8.157370441,8.920656297,9.723942139,74.2990171,2.708050201,0,3.931825633,0,5.416100402,0,6.965080346,0,8.528133131,8.765458532,120.0786442,6.003932212,14.43014069,1.803767586,7.992640687,7.992640687,0,64,9,0.368,32,1.225842105,2.048685131,2.859797065,3.332202729,3.692851025,4.173214972,0,0,0,0,105.1526315,136.3477492,200.4909947,82.63027768,20.91161291,4.240253497,0,0,0,0,248.6315295,286.5264252,520.9412688,415.8107212,244.2108928,129.7191476,0,0,0,0,10.05012269,17.63761537,24.6949968,27.48287472,25.42785808,28.03759455,0,0,0,0,1.599290557,1.809194516,3.317484085,3.269964115,2.676824162,1.855465231,0,0,0,0,185.6914016,354.0437636,460.4798819,552.7778359,633.6816537,771.701114,0,0,0,0,4.124355263,7.428469464,10.44416155,9.536369176,5.239997612,4.173214972,0,0,0,0,0.426309868,0.53407689,0.915649789,0.833114832,0.591035315,0.427337213,0,0,0,0,314.7338496,312.3552319,14.18257697,51.29043524,-50.90280507,-16.96760169,263.4434143,363.2580369,31.15017866,0.859871497,0.853372972,0.038747639,0.140128503,-0.139069475,-0.046356492,115.2002322,114.3296003,5.191167591,18.77354488,-18.63166282,-6.210554273,0.281434096,0.333333333,0,6.815941607,314.7338496,51.29043524,0.859871497,0.140128503,648.1609626,25.45900553,8.654213869,764.4053955,27.6478823,9.143404109,1220.721396,34.93882362,10.68740299,1.593844379,1.388326837,321.865728,288.8691268,145.854401,1.114226818,2.20676048,1.980530754,3.532668704,2.999255685,5.948881152,0.983452489,4.427120299,3.768710525,10.82008513,7.481003968,12.02459546,8.228197702,9.396787133,3.957072278,5.445547384,1.129048182,1.540139299,1.29E-13,2.08E-48,6.47E-105,3.89E-183,4.50E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.30166571,4.025845691,1.316443085,2.657702076,1.035423742,1.556024194,1.402324694,1.076575934,0.135383427,0.007956126,0.010847327,9.08E-16,1.46E-50,4.56E-107,2.74E-185,3.17E-285,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.019852628,2.645356076,2.141221164,2.082523196,2.819968265,1.742554169,2.023304621,1.365976762,0.648961182,0.082876405,0.113037511,9.46E-15,1.53E-49,4.75E-106,2.85E-184,3.30E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.130729266,4.522390089,12.46246702,8.001147046,12.29784821,8.397048297,9.707855389,3.675208114,4.918695582,1.00596446,1.372236387,1.15E-13,1.85E-48,5.77E-105,3.46E-183,4.01E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.549655798,2.139376986,2.438067896,2.100225554,3.900209428,2.105838769,2.456109452,1.653267103,1.170861937,0.18000842,0.245532578,2.05E-14,3.32E-49,1.03E-105,6.20E-184,7.17E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,5.574293743,4.489958833,15.37631545,10.16232279,15.58555747,11.30359749,13.23716195,5.121020184,7.625334165,1.646597135,2.246148423,1.88E-13,3.03E-48,9.44E-105,5.67E-183,6.56E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.321516624,4.765005854,9.259232833,6.683288545,6.828251961,5.673884312,6.083277174,2.254988661,1.959866831,0.329905664,0.450004178,3.77E-14,6.08E-49,1.89E-105,1.14E-183,1.31E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.216675151,1.268269441,0.589859987,0.633852023,0.249914932,0.545686292,0.43186307,0.411970196,5.074804578,6.725100152,14.2063039,0.450778035,1.389519559,1.956168743,0.744967485,0.539001916,0.603730044,0.229918433,0.198224013,0.181267073,0.249983059,3.240138144,2.913199711,6.938815703,0.405595066,0.629474146,2.625143701,0.983553783,0.506271076,0.637949881,0.239018541,0.361048576,0.259355226,0.301810663,4.11496856,4.408949177,9.831094477,0.456924821,0.922214465,3.068355507,1.212370457,0.610126295,0.627366223,0.247885316,0.495057486,0.393845807,0.440654546,4.890852259,6.331767041,13.49227909,0.441049334,1.329557839,2.947778665,1.115892663,0.492769889,0.64694759,0.244904435,0.457891705,0.334290335,0.28757477,4.556441218,5.291859455,11.4692202,0.470421385,1.07975681,3.252562259,1.290543986,0.60791451,0.631440333,0.250541407,0.557894099,0.447108534,0.437564274,5.151020755,6.959394868,14.66218217,0.447160499,1.442566907,3.148733426,1.240769005,0.596012815,0.631576331,0.248874779,0.52219711,0.41293987,0.420656544,4.985515246,6.523050542,13.83709896,0.447364496,1.355793524 +UMLYSI0412,L,"1,2-dimethoxyethane",COCCOC,other multi-oxygen compounds,C4H10O2,110-71-4,8071,PubChem,,11.8,0,-0.0804,0.00646416,24.056,15.31193,0,0,16,6,10,0,4,0,2,0,0,0,0,0,0,0,1099.153126,1033.990957,890.683004,734.139347,517.591626,253.218841,72.642528,9.144576,0,2437.686605,2781.801074,2980.245535,2663.180244,2125.830101,1288.603619,688.4196982,279.7536999,0,124.050136,118.852372,212.07872,164.367596,171.865656,144.989092,42.705792,60.466176,0,16.88813705,19.2817031,21.61524034,21.27397066,19.14947796,11.33286277,6.68126586,4.001516144,0,2727.256516,2271.393147,4503.949543,3450.67319,4056.923958,3456.911841,918.7352863,1664.258868,0,47,44.75,65.5,53.25,43,37,12,9,0,68.69707037,68.93273047,34.25703862,34.95901652,21.56631775,13.32730742,12.107088,1.016064,0,152.3554128,185.4534049,114.6248283,126.8181069,88.57625421,67.82124309,114.7366164,31.08374443,0,7.7531335,7.923491467,8.156873846,7.827028381,7.161069,7.631004842,7.117632,6.718464,0,1.055508566,1.285446873,0.831355398,1.013046222,0.797894915,0.596466462,1.11354431,0.444612905,0,170.4535323,151.4262098,173.2288286,164.317771,169.0384983,181.9427285,153.1225477,184.917652,0,2.9375,2.983333333,2.519230769,2.535714286,1.791666667,1.947368421,2,1,0,0.333961119,-0.048236871,-0.218570635,0.105452426,0.040198636,-0.082183804,0.011391439,0.02496825,0,591.5296958,10.19025136,-212.6904991,-212.3606213,93.91120612,9.685962422,-176.9855549,192.4844075,0,684.3519461,-220.9314071,76.33352464,-259.5280043,-121.6657134,264.9925332,-296.8437843,215.4668782,0,1.881327,-0.031623562,-1.309116375,0.330713813,0.3507285,-0.563029312,0.017724375,0.263939062,0,2.915623878,-1.817802281,1.02745717,-0.440939569,-1.303890397,1.613759591,-1.181378711,0.644982259,0,16.4472548,-11.36443223,6.17850878,-0.936001186,-8.269086933,9.251028198,-6.133049245,3.049405215,0,11,0.5,-8,0,4,-2.75,-1.5,2.25,0,0.02087257,-0.003215791,-0.008406563,0.005021544,0.001674943,-0.004325463,0.001898573,0.00277425,0,36.97060598,0.679350091,-8.180403811,-10.11241054,3.912966922,0.509787496,-29.49759248,21.38715639,0,42.77199663,-14.72876048,2.935904794,-12.3584764,-5.069404724,13.94697543,-49.47396405,23.94076425,0,0.117582937,-0.002108237,-0.05035063,0.015748277,0.014613687,-0.029633122,0.002954062,0.029326562,0,0.182226492,-0.121186819,0.039517583,-0.020997122,-0.054328767,0.084934715,-0.196896452,0.071664695,0,1.027953425,-0.757628815,0.237634953,-0.044571485,-0.344545289,0.486896221,-1.022174874,0.338822802,0,0.6875,0.033333333,-0.307692308,0,0.166666667,-0.144736842,-0.25,0.25,0,-0.154067824,-0.402756484,0.240581017,0.080246141,-0.207231951,0.090960203,0.132913674,0,0.018375411,-0.221267777,-0.273525691,0.105839945,0.013788995,-0.79786608,0.578490826,0,-0.344355224,0.068640817,-0.288938496,-0.118521582,0.326077259,-1.156690544,0.559729873,0,-0.017929791,-0.428213743,0.133933351,0.124284082,-0.252018893,0.025123224,0.249411718,0,-0.665034031,0.216859705,-0.11522541,-0.298138684,0.466094223,-1.080503989,0.393272649,0,-0.737026403,0.231172879,-0.04335944,-0.335175973,0.473655916,-0.994378587,0.329609099,0,0.048484848,-0.447552448,0,0.242424242,-0.210526316,-0.363636364,0.363636364,0,1.136111853,2.001329096,0.835522137,0.330341637,1.337492491,0.006207367,0,0,1.07710287,1.347568637,1.273683438,0.656385252,0.899794987,1.534994902,0,0,1.745497216,0.760354214,1.349067324,1.059474723,0.288796209,2.467232848,0,0,0.939500682,1.996682702,0.901441224,0.313290831,1.419853898,0.094544967,0,0,2.242734213,0.565457004,1.241754155,1.24020314,0.014849977,2.588873755,0,0,2.337930192,0.578588464,1.187142633,1.249963478,5.54E-05,2.492929408,0,0,0.886363636,1.888111888,1.006493506,0.284090909,1.34569378,0.681818182,0,0,19.27041473,9.885207363,16.03695589,19.60374806,3.267291343,9.885363665,0.5,5.55E-16,9.25E-17,-21.07641759,16.99442511,2.832404185,1.699731213,19.28492499,9.891728073,16.04727824,19.61727909,3.269546516,9.891883266,0.498531158,4.44E-16,7.40E-17,-21.21030373,17.00018108,2.833363514,1.699934398,32.13812622,15.67006863,25.2765891,31.60613358,5.26768893,15.67006895,-0.797988956,1.11E-16,1.85E-17,-22.04208034,22.17990157,3.696650262,1.859511926,19.3001538,9.898571699,16.05811213,19.6314802,3.271913366,9.898725735,0.4969896,1.11E-16,1.85E-17,-22.04208034,17.00622278,2.834370464,1.700147594,45.72781581,21.78161364,35.11805909,44.28475679,7.380792798,21.78161364,-2.164588529,0,0,0,27.57002099,4.595003498,1.990037392,20.79005045,10.56815941,17.11975376,21.02089603,3.503482672,10.56823365,0.346268372,0,0,0,17.60027861,2.933379768,1.720748839,17.09229077,8.977605408,15.04088492,17.64965526,2.94160921,8.978081723,0.916666667,1.11E-16,1.85E-17,-22.04208034,13.98423999,2.330706665,1.582758588,0,11.99646145,15.99825808,-0.408747904,0.071546116,4.145959791,5.519384568,5,15,15,15,5,0,0,0,0,0,14.76407,3.359629266,2.927591975,2.490629232,1.807239454,0.832228567,0.719740472,0.083923071,0.083923071,1.662193239,1.425628215,1.292503548,0.756983736,0.083923071,0.083923071,0.083923071,0.083923071,3.249542167,2.808106482,2.536496938,1.808555078,0.525824453,0.510418612,0.270913902,0.270913902,1.681310797,1.399031322,1.189142467,0.656205329,0.270913902,0.270913902,0.270913902,0.270913902,3.495051808,3.123268202,2.804965648,2.193006801,1.159293232,1.147181449,0.943918427,0.943918427,1.398706134,1.04209331,0.846250683,0.198717742,0.943918427,0.943918427,0.943918427,0.943918427,3.232316022,2.800879318,2.576792536,1.844038548,0.443913671,0.443384795,0.399277246,0.399277246,1.688313855,1.384543424,1.121194794,0.589684793,0.399277246,0.399277246,0.399277246,0.399277246,3.526516933,3.1815935,2.92211269,2.326517521,1.208594682,1.208594436,1.207644823,1.207644823,1.358433669,0.969365377,0.733596068,0.063183209,1.207644823,1.207644823,1.207644823,1.207644823,3.602135554,3.306001994,2.680473694,2.095470545,1.376453925,1.213665644,0.571428571,0.571428571,1.490968681,1.077303363,0.981312359,0.438902667,0.571428571,0.571428571,0.571428571,0.571428571,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.828427125,2.914213562,1.707106781,0.957106781,0.5,0.25,0,0,0.804737854,0.582842712,0.426776695,0.319035594,0.25,0.25,0,0,4.230710143,1.89384685,0.98559856,0.491581624,0.166666667,0.083333333,0,0,0.705118357,0.37876937,0.24639964,0.163860541,0.083333333,0.083333333,0,0,8.138737228,16.10050983,15.3254902,15.6,8.953251497,124.7076228,0.508671077,1.006281865,0.957843137,0.975,0.559578219,7.794226422,0.2792,23.752,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,38,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,2,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.314444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.122222222,0,0,0,0,0,0,0,0,0,0,0,3.303611111,0,1.381944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.314444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.657222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561111111,0,0,0,0,0,0,0,0,0,0,0,1.651805556,0,0.690972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.657222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.657222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561111111,0,0,0,0,0,0,0,0,0,0,0,1.651805556,0,0.690972222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.657222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14,2.333333333,0.561111111,4.657222222,0.348888889,0.690972222,2.093257222,0.809027778,1.157222222,4.628888889,0.809027778,1.157222222,4.628888889,2.66666,0.44444,0,0.05556,0.54583,0.95556,0.42,0.54583,0.95556,0.12583,0,-0.12583,0,0.46511,0.24918,0,0.375,0,0,3.5,0.58333,3.5,0.58333,0,0,-3.5,-0.58333,0,0,3.32474,0.55412,5.31294,1.9882,0.33137,1.76608,0.29435,2.91421,1.14813,0.19136,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,5.02,2,2,2,2,0,0,1,1.298794941,1.548794941,2.155639062,2.155639062,2.155639062,1.780639062,20.78071905,24.78071905,34.490225,34.490225,34.490225,28.490225,0.324698735,0.387198735,0.538909766,0.538909766,0.538909766,0.445159766,2.701205059,2.451205059,1.844360938,1.844360938,1.844360938,2.219360938,0.332436988,0.396426494,0.551753117,0.551753117,0.551753117,0.455768857,12.42520413,15.42520413,16.03679683,16.03679683,16.03679683,11.53679683,22.23794941,19.23794941,20.18383437,20.18383437,20.18383437,15.68383437,6,5,5.333333333,6,0,2,1.68,0.7896,0.2,1.632993162,0,0,1,0,0,0,0,0,0,0,0.333333333,0,0,0,0,0,0,0.003,0.507,0.516,0.497,0.068,2.49,4,3,2,1,0,0,0,0,0,21,1.791759469,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,0,3.091042453,1,0.4,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0.6,5,1,0,3,5,0.666666667,0.5,0.222222222,0.125,0.08,0,0,0,0,0,0,0.1,0.055555556,0.041666667,0.04,0,0,0,0,0,0,0.237222222,12.1093115,19.57341312,24.21862301,4.036437168,12.10932554,2.22E-16,3.70E-17,-21.62619203,18.98117798,3.163529664,1.766068713,18.46,95.32085061,3.584962501,2.944438979,3.496507561,4.077537444,4.65396035,5.241747015,5.826000107,6.415096959,7.002155954,7.591357047,58.24880142,2.397895273,0,3.295836866,0,4.343805422,0,5.459585514,0,6.608000625,6.996681488,90.06807956,5.629254973,10.83915043,1.806525072,5.340990258,5.340990258,0,35,3,-0.17,18,1.2174,2.040922253,2.808937958,3.474598794,4.667371119,6.200241811,6.592018949,0,0,0,95.4747864,77.21354757,116.8021946,95.52525631,72.34551043,75.06687322,6.697913141,0,0,0,241.3161219,249.0037984,383.6467852,352.2960259,345.3186586,711.394766,204.9046323,0,0,0,9.798231433,16.75763492,22.17451617,25.28548982,35.95104719,44.13103952,44.28824199,0,0,0,1.610150773,1.772290467,2.967761599,3.007495682,2.933632101,6.904243989,2.930896694,0,0,0,183.8207431,351.0959828,459.9856859,577.2018932,845.7417106,949.3968225,1218.980666,0,0,0,3.853983333,5.295390055,7.534072308,6.945452212,9.527639281,12.40048362,6.592018949,0,0,0,0.4146485,0.484213203,0.721390326,0.731034681,0.780044944,1.488058035,0.67502274,0,0,0,372.8760902,284.519452,18.97458597,68.32079631,-52.13151509,-26.06575754,304.5552939,336.6509671,45.04034352,0.845146694,0.644880915,0.043007071,0.154853306,-0.1181593,-0.05907965,164.5117701,125.5290964,8.371528254,30.14292261,-23.00026215,-11.50013107,0.091876304,0.5,0.239819027,25.30347125,372.8760902,68.32079631,0.845146694,0.154853306,452.8011648,21.27912509,7.678961882,549.6715256,23.44507465,8.191581314,643.2528419,25.36242973,8.632314168,2.438518718,2.346927552,390.5818675,375.8192938,28.16273687,1.039281043,13.86874682,13.34455865,3.346278745,4.238046685,7.182869882,0.694853883,2.789005918,2.479641378,9.680805228,6.042857992,7.067675089,4.714659782,3.211951875,1.723578859,0.001315895,0.057655757,0.214072369,2.688416751,1.567069427,8.58E-05,2.01E-29,9.08E-76,7.92E-144,1.33E-233,0,0,0,0,0,0,0,0,0,0,0,0,0.234062419,2.987758353,0.927748554,0.741487565,0.357284883,1.87694472,0.264000004,0.878270814,1.05E-04,0.006258597,0.023775283,0.220041246,0.011036998,6.04E-07,1.42E-31,6.40E-78,5.58E-146,9.38E-236,0,0,0,0,0,0,0,0,0,0,0,0,0.755580646,2.042818851,1.716898922,1.408242307,1.30876614,1.337792739,0.85588541,0.604665282,2.06E-04,0.011980192,0.036673072,0.713996088,0.11501403,6.29E-06,1.47E-30,6.67E-77,5.81E-145,9.77E-235,0,0,0,0,0,0,0,0,0,0,0,0,2.632594227,2.985850099,11.56890861,5.823393106,6.508918325,4.820741923,3.027994263,2.099664969,0.001503923,0.06939749,0.193243716,2.533804677,1.396230646,7.64E-05,1.79E-29,8.09E-76,7.06E-144,1.19E-233,0,0,0,0,0,0,0,0,0,0,0,0,1.113586632,1.683735719,1.850769423,1.968678944,2.086112865,1.456610552,1.265122158,0.491248107,2.39E-04,0.013121512,0.053230876,1.056018105,0.249825842,1.37E-05,3.20E-30,1.45E-76,1.26E-144,2.12E-234,0,0,0,0,0,0,0,0,0,0,0,0,3.368128558,2.800297207,14.08712022,7.799359198,9.304550748,6.512093375,3.897022599,2.368143179,0.001920887,0.081737076,0.301613332,3.264849536,2.285423483,1.25E-04,2.93E-29,1.32E-75,1.15E-143,1.94E-233,0,0,0,0,0,0,0,0,0,0,0,0,1.639252999,3.758825313,9.753070341,3.853181795,2.960866552,4.279397369,2.071710588,2.397337334,0.001171447,0.061203963,0.092231317,1.732005419,0.511696139,2.80E-05,6.56E-30,2.97E-76,2.59E-144,4.35E-234,0,0,0,0,0,0,0,0,0,0,0,0,5.54954763,0.47094362,0.415503769,0.862267235,0.073173397,0.587737559,0.618142122,0.499980711,6.435995019,5.115060854,12.63698497,0.793400853,1.705860392,4.0983111,0.238239317,0.07435748,0.929130963,0.054011401,0.320797844,0.08965401,0.01601226,4.410907896,1.298833796,5.782342761,0.893696444,0.426464115,4.84449802,0.322928515,0.221293784,0.899007136,0.059926754,0.445949632,0.249607284,0.141821392,5.388720319,2.707945923,8.442864112,0.848510704,0.837378308,5.396506174,0.466733579,0.389753286,0.863027696,0.074641628,0.554673509,0.57774118,0.439929299,6.252993039,4.803947601,12.03862418,0.794541544,1.572343989,5.201209502,0.360562649,0.296475443,0.887843919,0.061547868,0.515571579,0.350874883,0.254554494,5.858247594,3.524290737,9.938537073,0.831765878,1.121000956,5.598628315,0.489512964,0.434084885,0.858392238,0.07505305,0.59823389,0.669129641,0.545698352,6.522226164,5.383371249,13.09525094,0.787588357,1.813061883,5.487241377,0.465989834,0.400394541,0.863639376,0.073342349,0.574020747,0.590943472,0.464279609,6.353625752,4.940639977,12.31807405,0.795459063,1.629243828 +UMLYSI0413,L,methyl acetate,CC(=O)OC,saturated esters,C3H6O2,79-20-9,6584,PubChem,,11.7,0,0.0211,4.45E-04,17.4128,10.884758,0,0,11,5,6,0,3,0,2,0,0,0,0,0,0,0,950.824749,793.398616,875.358724,469.511326,121.023504,9.144576,0,0,0,1889.834726,2020.125106,2022.11989,1562.538037,934.4605901,279.7536999,0,0,0,89.635764,80.34796,131.037184,95.754304,71.119296,60.466176,0,0,0,12.32078543,13.48818586,13.72339832,10.67748085,8.285569818,4.001516144,0,0,0,1860.791552,1505.559628,2743.358684,1850.610988,1474.288116,1664.258868,0,0,0,78.02777778,39.83333333,70.33333333,54.5,33,9,0,0,0,86.43861355,79.3398616,54.70992025,42.68284782,13.447056,1.016064,0,0,0,171.8031569,202.0125106,126.3824932,142.0489124,103.8289545,31.08374443,0,0,0,8.148705818,8.034796,8.189824,8.704936727,7.902144,6.718464,0,0,0,1.120071403,1.348818586,0.857712395,0.970680077,0.920618869,0.444612905,0,0,0,169.1628684,150.5559628,171.4599178,168.2373625,163.8097907,184.917652,0,0,0,7.093434343,3.983333333,4.395833333,4.954545455,3.666666667,1,0,0,0,0.253700989,-0.150498214,0.070573457,-0.028387937,-0.034533658,0.015995859,0,0,0,451.9430907,-6.799068661,158.3903264,-332.2389565,-340.4543815,295.130535,0,0,0,478.2138737,-139.8847081,140.1428438,-159.5316154,-377.7030919,297.8696347,0,0,0,1.718890909,-0.080206281,0.36184595,-1.169680727,-0.468814017,0.49740962,0,0,0,2.077777484,-1.109015116,0.342409293,0.043057559,-1.115569126,0.800228648,0,0,0,11.97845018,-6.92140965,1.517690862,1.035310975,-5.239681895,3.618864617,0,0,0,33.35858586,-2.179522498,10.03145087,-18.71717172,-15.08884298,9.274793388,0,0,0,0.023063726,-0.015049821,0.004410841,-0.002580722,-0.003837073,0.001777318,0,0,0,41.08573552,-0.679906866,9.8993954,-30.2035415,-37.82826461,32.79228166,0,0,0,43.47398852,-13.98847081,8.758927736,-14.50287413,-41.96701021,33.09662608,0,0,0,0.15626281,-0.008020628,0.022615372,-0.106334612,-0.052090446,0.055267736,0,0,0,0.188888862,-0.110901512,0.021400581,0.003914324,-0.123952125,0.088914294,0,0,0,1.088950016,-0.692140965,0.094855679,0.09411918,-0.582186877,0.402096069,0,0,0,3.032598714,-0.21795225,0.62696568,-1.701561065,-1.676538108,1.030532599,0,0,0,-0.652532087,0.191245812,-0.111895256,-0.16636831,0.077061165,0,0,0,-0.01654849,0.240944826,-0.735134497,-0.920715283,0.798142743,0,0,0,-0.321766447,0.201475136,-0.333598886,-0.965336093,0.761297208,0,0,0,-0.051327812,0.144726515,-0.680485725,-0.333351527,0.353684511,0,0,0,-0.587125733,0.113297209,0.020722892,-0.656217226,0.470722801,0,0,0,-0.635603981,0.087107468,0.086431129,-0.534631405,0.369251171,0,0,0,-0.071869796,0.206742051,-0.561090083,-0.552838759,0.339818319,0,0,0,1.571516088,1.003676005,1.550325798,0.677959356,0.007867228,0,0,0,0.856422525,0.739305305,1.737429791,1.721684686,0,0,0,0,1.520355833,0.649958513,1.150602027,1.860053686,0,0,0,0,0.76086504,0.927852659,2.026326701,1.13956815,0,0,0,0,1.997041977,0.68898193,0.849330263,1.629248495,0,0,0,0,2.065310227,0.717952372,0.833391686,1.52137236,0,0,0,0,0.602043906,0.559211771,2.085919758,1.898561696,0,0,0,0,10.52565954,5.512829769,8.411968132,10.82565954,2.165131908,5.523784016,0.5,0.039689564,0.007937913,-1.613333505,13.9717185,2.7943437,1.31851759,10.5338005,5.516165832,8.417642636,10.8329192,2.16658384,5.527077724,0.498531158,0.04005762,0.008011524,-1.608718186,13.95836985,2.791673969,1.318039659,17.80969647,8.505853759,13.73485985,17.3309031,3.46618062,8.506241473,-0.797988956,0.187136526,0.037427305,-0.837958422,11.22559591,2.245119182,1.20909826,10.54234487,5.519667236,8.423599775,10.84053863,2.168107726,5.530534855,0.4969896,0.040442964,0.008088593,-1.603931292,13.94445042,2.788890084,1.317540805,25.57339795,11.70440471,19.5480666,24.27464483,4.854928966,11.70441799,-2.164588529,0.227634127,0.045526825,-0.740007823,11.02250723,2.204501445,1.199969647,11.37949918,5.862883778,9.013657842,11.58726021,2.317452041,5.87019446,0.346268372,0.073872803,0.014774561,-1.30270527,12.92700232,2.585400463,1.279659163,8.614105779,4.702581455,7.135844212,8.937861322,1.787572264,4.734045284,1.168253968,0.129518121,0.025903624,-1.021967239,36.76087145,7.352174291,1.802217002,0,11.99654872,15.99825767,-0.34978203,0.25807073,3.407371546,4.972760266,4,10,9,9,3,1,1,0,0,1,9.433242,3.432385235,2.684892134,2.076373767,1.088489434,0.083923071,0.083923071,0.083923071,0.083923071,1.598013159,1.369570144,0.482653177,0.083923071,0.083923071,0.083923071,0.083923071,1.088489434,3.263032282,2.662019618,1.969674113,0.634259088,0.270913902,0.270913902,0.270913902,0.270913902,1.633608579,1.293072701,0.630877808,0.270913902,0.270913902,0.270913902,0.270913902,0.634259088,3.505419473,2.948513926,2.357048924,1.255984685,0.943918427,0.943918427,0.943918427,0.943918427,1.362976471,0.944551796,0.210276322,0.943918427,0.943918427,0.943918427,0.943918427,1.255984685,3.225144763,2.684317195,1.949328109,0.465144479,0.399277246,0.399277246,0.399277246,0.399277246,1.661601053,1.243402971,0.65989699,0.399277246,0.399277246,0.399277246,0.399277246,0.465144479,3.508396061,3.043632802,2.418169574,1.209058028,1.207644823,1.207644823,1.207644823,1.207644823,1.34369444,0.846294432,0.1552058,1.207644823,1.207644823,1.207644823,1.207644823,1.209058028,4.516490876,3.132386806,2.682943113,1.715676457,0.529411765,0.529411765,0.529411765,0.529411765,1.341696651,1.086985584,0.001167958,0.529411765,0.529411765,0.529411765,0.529411765,1.715676457,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0.40824829,0,0,0,0.083333333,0,0,0,0.40824829,0,0,0.083333333,0,0,4.28445705,2.27005561,1.802095141,0.816496581,0,0,0,0,0.85689141,0.567513903,0.450523785,0.40824829,0,0,0,0,3.316496581,1.316496581,0.695705769,0.287457479,0,0,0,0,0.663299316,0.329124145,0.173926442,0.143728739,0,0,0,0,6.05508162,11.32483613,10.8745098,11.08,6.356142515,85.39380719,0.550461965,1.029530557,0.9885918,1.007272727,0.577831138,7.763073381,0.1793,17.69,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,19,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.70138889,-0.24537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0,0,0,0,0,0,0,0,0,0,2.710648148,0,0,0,0,0,0,0,0,-0.24537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.590277778,4.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.111111111,-0.24537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0,0,0,0,0,0,0,0,0,0,1.349537037,0,0,0,0,0,0,0,0,-0.24537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.590277778,4.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.590277778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5125,0,0,0,0,0,0,0,0,0,0,1.361111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.590277778,4.111111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16.16666667,3.233333333,0.755208333,9.590277778,0.479166667,-0.24537037,1.205597222,1.912037037,2.590277778,6.402777778,1.912037037,2.590277778,6.402777778,2.16666,0.43333,0,0.06667,0.62121,1.00667,0.41765,0.62121,1.00667,0.20357,0,-0.20357,0,0.43046,0.28383,0,0.61538,0.23077,0,4.25,0.85,2.75,0.55,1.5,0.3,-1.25,-0.25,0,0,2.13663,0.42733,4.43249,2.29587,0.45917,1.08652,0.2173,2.27005,1.18352,0.2367,0.14395,0.02879,0.14395,0.02879,0,4.02,2,2,2,2,0,0,0.666666667,1.435371391,2.049452073,2.594906618,2.594906618,1.784100869,0.476983155,15.7890853,22.5439728,28.5439728,28.5439728,19.62510956,5.246814707,0.414915382,0.592424507,0.750096231,0.750096231,0.515720808,0.137879053,2.024060228,1.409979546,0.864525,0.864525,1.675330749,2.982448463,0.414915382,0.592424507,0.750096231,0.750096231,0.515720808,0.137879053,13.7677779,21.8630942,22.41281695,22.41281695,11.42677215,0.480715564,19.2185484,13.55468757,13.76010174,13.76010174,10.94929599,2.861898931,5,2.25,4,5,3,2,1.57,0.6057,0.333333333,0,1.414213562,0,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.424,0.406,0.558,0.08,1.861,4,2,0,0,0,0,0,0,0,15,1.791759469,1.945910149,1.386294361,0,0,0,0,0,0,0,2.995732274,1.266666667,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.25,3,0.75,0,2,3,0.5,1.5,0.444444444,0,0,0,0,0,0,0,0,0.375,0.111111111,0,0,0,0,0,0,0,0,0.486111111,7.459294271,11.32198879,14.91858854,2.983717708,7.460499637,0.060810163,0.012162033,-1.399999173,12.37595477,2.475190954,1.257877729,26.3,75.38840728,3.321928095,2.833213344,3.36729583,4.007333185,4.574710979,5.220355825,5.796057751,6.444131257,7.021976423,7.670894831,55.93596942,2.197224577,0,3.218875825,0,4.394449155,0,5.609471795,0,6.834108739,7.183870715,74.03677943,6.730616312,8.696801932,1.739360386,4.899812122,4.899812122,0,18,2,0.241,16,1.2135,2.047987675,2.854986086,3.667029687,4.475207403,0,0,0,0,0,105.7209121,125.1503094,126.6664019,48.33364728,4.547097135,0,0,0,0,0,260.0474203,278.0040099,421.9860409,388.6977386,139.1062032,0,0,0,0,0,9.852395917,17.01933586,24.79663102,28.40532954,30.06651983,0,0,0,0,0,1.693241332,1.832565305,2.880770512,3.516618187,1.989734963,0,0,0,0,0,181.9284518,348.7501714,478.2909501,592.9022151,827.5448453,0,0,0,0,0,5.009833333,9.79639787,14.06209845,12.23044018,4.475207403,0,0,0,0,0,0.43465725,0.523542466,0.792654546,0.845616604,0.458261238,0,0,0,0,0,375.9353142,220.0389469,28.70378118,73.04828784,-42.75594156,-20.8593065,302.8870264,262.7948884,49.56308768,0.837302994,0.490082368,0.063930578,0.162697006,-0.095228292,-0.04645895,168.7887915,98.79387896,12.88752707,32.7974834,-19.19671665,-9.365486568,0.440886093,0.545291896,29.58849275,14.58200716,308.823892,140.1597101,0.687828889,0.312171111,399.7398832,19.99349602,7.36646552,457.8620997,21.39771249,7.70746507,585.6092239,24.19936412,8.366348855,1.532273109,1.208248164,159.0759723,114.5332313,51.28443799,1.3889067,3.101837097,2.233294071,2.88060088,2.98454971,5.036801845,0.687625382,1.686629378,1.447476458,4.010976385,3.118992373,2.895428291,1.203317746,0.453412649,1.137026924,1.746667432,9.62E-10,1.02E-40,2.09E-93,8.27E-168,6.30E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.158054637,1.598567905,0.405383676,0.984701985,0.269260063,0.701252516,0.025958656,0.023760353,0.012301922,6.77E-12,7.20E-43,1.47E-95,5.83E-170,4.44E-266,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.462802197,1.317476722,0.774073411,0.864864218,0.711582015,0.748379933,0.091766201,0.123921739,0.128195507,7.06E-11,7.50E-42,1.54E-94,6.07E-169,4.63E-265,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.597155652,1.598054021,4.784426319,3.967901918,3.027252914,1.345374322,0.419657717,1.023916829,1.556249236,8.57E-10,9.10E-41,1.86E-93,7.37E-168,5.62E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.674503544,1.210663949,0.851275892,0.739068408,0.960461439,0.748392399,0.14330846,0.230412089,0.278457772,1.53E-10,1.63E-41,3.34E-94,1.32E-168,1.00E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.036872267,1.542891027,5.746061041,4.433926577,3.734999673,1.461393307,0.587005879,1.60686767,2.547350295,1.40E-09,1.49E-40,3.05E-93,1.21E-167,9.19E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.981262158,1.796819911,4.323314077,5.589188909,2.759186111,1.810917476,0.210074898,0.376109073,0.489550387,2.70E-10,2.86E-41,5.87E-94,2.32E-168,1.77E-264,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.08651002,0.577089143,0.304061482,0.777916837,0.145448211,0.691472709,0.423942207,0.363636364,3.967660645,2.895150813,7.404403161,0.666875256,1.47905128,1.502393093,0.688738825,0.045511329,0.671717805,0.307934145,0.165594952,0.468512443,0.008146734,2.236643246,1.134477778,3.418214165,0.507576708,0.642254129,2.323071399,0.522948096,0.149646093,0.775477546,0.174568249,0.39008727,0.339609808,0.088079584,2.995665588,1.640741462,4.818203972,0.663216319,0.817776662,2.870994881,0.629933714,0.278776801,0.759581655,0.16666212,0.597368129,0.502073791,0.305673474,3.779705397,2.784514144,7.068397553,0.639372483,1.405115394,2.75121189,0.456351717,0.210104342,0.804996837,0.133527225,0.548710929,0.263827785,0.173625914,3.417667949,1.929443311,5.61090152,0.707495256,0.986164628,3.13081073,0.602172719,0.318933714,0.772673923,0.148614272,0.711544595,0.461768377,0.400078627,4.051917163,3.075863086,7.729062412,0.659010884,1.573391599,2.923984412,0.636090999,0.283804154,0.76068575,0.165481511,0.619875595,0.512881692,0.316797676,3.843879566,2.870284358,7.242016994,0.641028626,1.449554962 +UMLYSI0414,L,dimethoxymethane,COCOC,other multi-oxygen compounds,C3H8O2,109-87-5,8020,PubChem,,10.9,0,-0.0981,0.00962361,18.8655,12.218344,0,0,13,5,8,0,3,0,2,0,0,0,0,0,0,0,952.856877,865.51266,712.878611,505.398858,253.218841,72.642528,9.144576,0,0,1952.002215,2128.810939,2101.147098,1752.825168,1288.603619,688.4196982,279.7536999,0,0,103.072692,97.076592,170.173676,91.244088,144.989092,42.705792,60.466176,0,0,13.21001124,14.26571448,14.68097419,13.8141231,11.33286277,6.68126586,4.001516144,0,0,2230.626856,1838.353695,3585.306329,1837.912134,3456.911841,918.7352863,1664.258868,0,0,42.75,39.5,60.25,31,37,12,9,0,0,73.29668285,72.126055,35.64393055,42.1165715,13.32730742,12.107088,1.016064,0,0,150.1540165,177.4009116,105.0573549,146.068764,67.82124309,114.7366164,31.08374443,0,0,7.928668615,8.089716,8.5086838,7.603674,7.631004842,7.117632,6.718464,0,0,1.016154711,1.18880954,0.73404871,1.151176925,0.596466462,1.11354431,0.444612905,0,0,171.5866812,153.1961413,179.2653165,153.1593445,181.9427285,153.1225477,184.917652,0,0,3.288461538,3.291666667,3.0125,2.583333333,1.947368421,2,1,0,0,0.312838472,-0.094599664,-0.07507051,0.032212922,-0.056290858,0.012265691,0.025063183,0,0,507.4377212,11.19724686,-148.4861709,-173.4180713,24.69835174,-179.0166947,211.3064777,0,0,534.2235486,-221.7321869,181.8581683,-406.9222599,262.4730624,-296.0561665,213.2676083,0,0,1.812420923,-0.083598391,-0.690928497,0.011818225,-0.553252734,0.05361742,0.356133515,0,0,2.228247828,-1.867402251,1.882492368,-2.070455209,1.505050489,-1.136754083,0.572944772,0,0,12.65892045,-11.74110754,11.80010871,-11.67046006,8.49088355,-5.799906296,2.591021412,0,0,10.42307692,-0.044378698,-5.131656805,0.917159763,-2.483727811,-1.464497041,2.99556213,0,0,0.024064498,-0.007883305,-0.003753526,0.00268441,-0.002962677,0.002044282,0.002784798,0,0,39.03367086,0.933103905,-7.424308545,-14.45150594,1.299913249,-29.83611579,23.47849752,0,0,41.09411913,-18.47768224,9.092908414,-33.91018833,13.8143717,-49.34269441,23.69640092,0,0,0.139416994,-0.006966533,-0.034546425,9.85E-04,-0.029118565,0.008936237,0.039570391,0,0,0.171403679,-0.155616854,0.094124618,-0.172537934,0.079213184,-0.189459014,0.06366053,0,0,0.973763112,-0.978425628,0.590005435,-0.972538339,0.446888608,-0.966651049,0.287891268,0,0,0.801775148,-0.003698225,-0.25658284,0.07642998,-0.130722516,-0.24408284,0.332840237,0,0,-0.327590685,-0.15597772,0.11155064,-0.123114006,0.084950116,0.115722261,0,0,0.023905103,-0.190202673,-0.370231793,0.033302357,-0.764368688,0.601493454,0,0,-0.449642981,0.221270308,-0.825183482,0.336164201,-1.200723983,0.576637276,0,0,-0.049969034,-0.247792065,0.007064075,-0.208859509,0.064097184,0.283827598,0,0,-0.907896815,0.549140012,-1.006617448,0.46214401,-1.105338082,0.371407023,0,0,-1.004788142,0.60590243,-0.998742227,0.45892949,-0.992696312,0.295648156,0,0,-0.004612546,-0.32001845,0.095325953,-0.163041367,-0.304428044,0.415129151,0,0,1.329189364,1.755021602,0.602504787,1.036662014,0.003776648,0,0,0,1.017016084,1.328616724,1.224257013,0.839126352,1.431497943,0,0,0,1.814609269,0.468608658,2.171536138,0.295963363,2.528463008,0,0,0,0.962134115,1.866857724,0.520322839,1.179068036,0.078511563,0,0,0,2.482912839,0.024612522,2.596455094,0.015544751,2.70999735,0,0,0,2.605721476,9.11E-05,2.598448156,5.75E-05,2.591174837,0,0,0,0.911439114,1.813284133,0.479704797,1.13614294,0.575645756,0,0,0,12.09168444,6.29584222,10.15739772,12.39168444,2.478336888,6.300873714,0.5,0,0,0,2000004.304,400000.8608,7.254329945,12.10484348,6.30168732,10.16726712,12.40396218,2.480792435,6.306686205,0.498531158,5.55E-16,1.11E-16,-17.56368133,2000004.304,400000.8607,7.254329945,23.74563122,11.47382113,18.91456458,23.26683784,4.653367569,11.47383897,-0.797988956,3.33E-16,6.66E-17,-17.81909414,2000004.172,400000.8345,7.254329912,12.1186541,6.307821852,10.1776253,12.41684786,2.483369573,6.312786742,0.4969896,3.33E-16,6.66E-17,-17.81909414,2000004.303,400000.8606,7.254329945,36.03482582,16.93511865,28.16374899,34.73607271,6.947214541,16.9351187,-2.164588529,1.11E-16,2.22E-17,-18.36840028,2000004.13,400000.8261,7.254329902,13.46954641,6.907907389,11.1911672,13.67730743,2.735461486,6.910458351,0.346268372,1.11E-16,2.22E-17,-18.36840028,2000004.275,400000.8551,7.254329938,8.949249026,4.923037212,7.852047275,9.487344264,1.897468853,4.946953222,0.896825397,5.55E-16,1.11E-16,-17.56368133,2000004.254,400000.8508,7.254329933,0,11.99654872,15.99825767,-0.386460741,0.146431577,3.963585236,4.810510113,4,12,12,12,4,0,0,0,0,0,12.577656,3.282535964,2.792395245,2.228421658,1.018637612,0.645608422,0.083923071,0.083923071,0.083923071,1.553809787,1.395080814,1.102881143,0.083923071,0.083923071,0.083923071,0.083923071,0.083923071,3.103496185,2.722087809,2.289961459,0.607375549,0.466234902,0.270913902,0.270913902,0.270913902,1.598823969,1.343750351,1.004241667,0.270913902,0.270913902,0.270913902,0.270913902,0.270913902,3.413026161,3.028314638,2.586454187,1.232329453,1.108883356,0.943918427,0.943918427,0.943918427,1.260145613,0.986062882,0.629718455,0.943918427,0.943918427,0.943918427,0.943918427,0.943918427,3.065180827,2.730940909,2.336582048,0.460163917,0.434153974,0.399277246,0.399277246,0.399277246,1.622507049,1.31158806,0.934615788,0.399277246,0.399277246,0.399277246,0.399277246,0.399277246,3.433473515,3.106744481,2.715239369,1.208950731,1.208391043,1.207644823,1.207644823,1.207644823,1.224891429,0.898664316,0.507536778,1.207644823,1.207644823,1.207644823,1.207644823,1.207644823,3.555347215,3.102302772,2.40715734,1.527285879,1.10818217,0.545454545,0.545454545,0.545454545,1.30435698,1.084134106,0.857238836,0.545454545,0.545454545,0.545454545,0.545454545,0.545454545,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,3.523603362,1.39384685,0.695201399,0.23570226,0.11785113,0,0,0,0.704720672,0.348461713,0.2317338,0.11785113,0.11785113,0,0,0,6.596909424,13.21267298,12.6,12.84,7.154697006,101.6793677,0.507454571,1.01635946,0.969230769,0.987692308,0.550361308,7.82148982,0.2367,18.885,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.9375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.173611111,0,0.388888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8.9375,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.46875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.586805556,0,0.388888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.46875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.46875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.586805556,0,0.388888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.46875,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.5,2.5,0.7,4.46875,0.4375,0.388888889,1.558444444,1.111111111,0.96875,3.875,1.111111111,0.96875,3.875,2.16666,0.43333,0,0.06667,0.5718,1.00667,0.41765,0.5718,1.00667,0.15415,0,-0.15415,0,0.43046,0.28383,0,0.46154,0,0,3,0.6,3,0.6,0,0,-3,-0.6,0,0,2.3199,0.46398,4.09272,1.77282,0.35456,1.31412,0.26282,2.41421,1.10009,0.22002,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4.02,2,2,2,2,0,0,1,1.334679141,1.546593564,2.045841641,2.045841641,1.761192432,0.930287903,17.35082883,20.10571634,26.59594133,26.59594133,22.89550161,12.09374274,0.360681228,0.41794859,0.552864469,0.552864469,0.475941392,0.251399286,2.365760577,2.153846154,1.654598077,1.654598077,1.939247286,2.770151815,0.372299331,0.431411365,0.570673094,0.570673094,0.491272205,0.259497248,12.93778083,15.4807539,15.98390861,15.98390861,12.5681181,5.504291416,18.88292174,16.78887727,17.26047702,17.26047702,15.55258176,8.074441005,5,4,4,5,0,0,1.57,0.6487,0.25,1,0,0,0,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0.003,0.507,0.516,0.497,0.068,1.991,3,2,1,0,0,0,0,0,0,15,1.609437912,1.386294361,1.098612289,0.693147181,0,0,0,0,0,0,2.772588722,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.5,4,1,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,18.46,78.02486598,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,76.0524295,5.850186884,8.849873734,1.769974747,5.267766953,5.267766953,0,20,2,-0.033,14,1.209333333,2.00393115,2.779246117,3.296540451,4.892332333,5.264453405,0,0,0,0,98.78809682,77.23836135,135.9086424,55.74334528,59.23189809,5.349021585,0,0,0,0,226.6101567,223.0757554,425.6484598,257.6819674,561.3296581,163.6389242,0,0,0,0,9.9704514,17.20098667,21.43788376,25.71432022,34.82182117,35.36904068,0,0,0,0,1.452168105,1.533046505,3.223050284,2.130619336,5.447828833,2.340643921,0,0,0,0,185.2793792,357.8105256,425.6906346,596.1673333,749.1263912,973.4903629,0,0,0,0,4.253666667,6.241436159,7.716769354,7.068744645,9.784664667,5.264453405,0,0,0,0,0.4024,0.447418396,0.803322734,0.571837358,1.17415976,0.539080029,0,0,0,0,358.8281314,256.9080553,21.19973379,76.03856863,-54.44088432,-27.22044216,282.7895628,311.3489396,48.42017595,0.825145111,0.590774266,0.048749959,0.174854889,-0.125189821,-0.06259491,156.0424054,111.7207582,9.219058275,33.06664141,-23.67452771,-11.83726386,0.204479685,0.5,3.806921333,27.61025928,358.8281314,76.03856863,0.825145111,0.174854889,390.7195956,19.76662833,7.310634376,468.2158843,21.6382967,7.765129705,543.3194641,23.30921415,8.159904723,2.057179052,2.057179052,215.5779329,203.1315908,22.5172722,1.061272312,9.573892033,9.02114559,2.867782944,2.999255685,5.948881152,0.983452489,2.231204811,1.531124071,7.304348214,3.251981029,7.950192157,6.203546763,3.940186034,1.187381149,3.117946414,0.150808532,1.540098827,1.29E-13,2.08E-48,6.47E-105,3.89E-183,4.50E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.187250037,2.03928315,0.961223904,0.276644067,0.363496934,1.330098522,0.377544148,1.012478446,0.042079952,0.001066305,0.010847042,9.08E-16,1.46E-50,4.56E-107,2.74E-185,3.17E-285,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.604464571,1.094340756,1.402438962,0.883943205,1.373533672,1.183085179,0.690776363,1.048179816,0.280531798,0.011079149,0.11303454,9.46E-15,1.53E-49,4.75E-106,2.85E-184,3.30E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.106075483,2.037337387,9.029654358,3.069826428,7.295212125,6.453024405,4.729725351,1.176673732,2.791887934,0.134370543,1.372200328,1.15E-13,1.85E-48,5.77E-105,3.46E-183,4.01E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.890869342,0.735253946,1.409753363,1.300845046,2.226804665,1.310979575,0.736109435,1.072687687,0.559841864,0.024055186,0.245526126,2.05E-14,3.32E-49,1.03E-105,6.20E-184,7.17E-284,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.69450294,1.851760596,10.64438732,3.926440748,10.59161884,8.838431494,5.753410286,1.2270259,4.481605957,0.219926542,2.246089398,1.88E-13,3.03E-48,9.44E-105,5.67E-183,6.56E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.244680855,2.789937917,7.498027745,1.936220939,2.960355003,4.489150801,3.656192131,1.29947297,1.005516598,0.044884706,0.458211221,3.83E-14,6.19E-49,1.93E-105,1.16E-183,1.34E-283,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.012557758,0.384336023,0.372214748,0.841364321,0.080588651,0.615379099,0.4615227,0.525793133,4.769108529,3.178759201,8.521886331,0.762046481,1.602694933,2.604948733,0.363843701,0.066184891,0.858309125,0.119883499,0.25935732,0.502409079,0.01368638,3.034977325,1.144283392,4.241990372,0.787463688,0.775452779,3.413222536,0.302412189,0.205184814,0.870538035,0.077129841,0.445276071,0.347077404,0.131541052,3.920819539,1.794591918,5.927203242,0.805807052,0.923894527,3.836851274,0.389849048,0.356942468,0.837074669,0.085052232,0.56266523,0.576793973,0.398077222,4.583642791,3.004481664,8.122036435,0.755612004,1.537536424,3.78497085,0.288886133,0.278828883,0.869571333,0.066369626,0.547551819,0.316724127,0.242910563,4.352685866,2.229334583,6.886899086,0.804356999,1.107186509,4.038602865,0.400123742,0.387381108,0.836824021,0.082908166,0.623393753,0.500218243,0.569514296,4.826107715,3.335419721,8.787512409,0.755236032,1.693126292,3.936558953,0.377518564,0.368948905,0.840601483,0.080614229,0.592289001,0.540884307,0.425307786,4.683026422,3.077798257,8.309128531,0.760902224,1.558481094 +UMLYSI0415,L,dimethyl carbonate,COC(=O)OC,other multi-oxygen compounds,C3H6O3,616-38-6,12021,PubChem,,10.5,0,0.6643,0.44129449,19.0364,11.686758,0,0,12,6,6,0,3,0,3,0,0,0,0,0,0,0,1206.79275,1033.462473,1159.290581,841.298484,337.788025,72.642528,9.144576,0,0,2106.225503,2202.067209,2174.790385,1899.337707,1407.680469,688.4196982,279.7536999,0,0,102.98748,92.875212,152.273972,82.841328,121.194532,42.705792,60.466176,0,0,12.96398943,13.37796586,13.38369735,12.03862586,9.206115832,6.68126586,4.001516144,0,0,2046.242838,1685.451928,3030.554142,1532.1086,2349.005676,918.7352863,1664.258868,0,0,90.27777778,49.33333333,94.91666667,52,67,12,9,0,0,100.5660625,93.95113391,68.19356359,84.1298484,25.98369423,12.107088,1.016064,0,0,175.5187919,200.1879281,127.9288462,189.9337707,108.283113,114.7366164,31.08374443,0,0,8.58229,8.443201091,8.957292471,8.2841328,9.322656308,7.117632,6.718464,0,0,1.080332452,1.216178715,0.787276314,1.203862586,0.708162756,1.11354431,0.444612905,0,0,170.5202365,153.2229026,178.2678907,153.21086,180.6927443,153.1225477,184.917652,0,0,7.523148148,4.484848485,5.583333333,5.2,5.153846154,2,1,0,0,0.41362846,-0.345782493,0.184648999,0.079440728,-0.166135081,0.015350403,0.025663214,0,0,530.622243,15.63737175,179.2006553,-22.6170945,-641.9716148,-175.6349595,380.0745202,0,0,488.6985163,-185.7397502,295.99488,-213.5463736,-144.0542755,-324.7728672,327.7691283,0,0,2.345688,-0.2949,0.940596,-0.1812,-2.742684,0.2736,0.831744,0,0,2.102125827,-1.763886666,1.840847437,-1.656529818,1.026616192,-1.227102427,0.72899237,0,0,12.37018448,-11.38460309,11.36187332,-10.3308324,7.260439397,-6.115749634,3.023780166,0,0,35.37962963,-3.010030864,13.69830247,1.49845679,-42.4992284,0.949074074,11.67361111,0,0,0.034469038,-0.031434772,0.010861706,0.007944073,-0.012779622,0.0025584,0.002851468,0,0,44.21852025,1.42157925,10.54121501,-2.26170945,-49.3824319,-29.27249325,42.23050225,0,0,40.72487636,-16.88543184,17.41146353,-21.35463736,-11.08109812,-54.1288112,36.41879204,0,0,0.195474,-0.026809091,0.055329176,-0.01812,-0.210975692,0.0456,0.092416,0,0,0.175177152,-0.160353333,0.108285143,-0.165652982,0.078970476,-0.204517071,0.080999152,0,0,1.030848707,-1.034963918,0.66834549,-1.03308324,0.558495338,-1.019291606,0.335975574,0,0,2.948302469,-0.273639169,0.805782498,0.149845679,-3.269171415,0.158179012,1.297067901,0,0,-0.911971252,0.315114848,0.230469811,-0.370756545,0.074223146,0.082725494,0,0,0.032148956,0.23838914,-0.051148465,-1.116781648,-0.66199622,0.955041055,0,0,-0.414622053,0.42753877,-0.524363467,-0.272096544,-1.329133838,0.89426403,0,0,-0.13714914,0.283051334,-0.09269775,-1.07930309,0.233279106,0.472778989,0,0,-0.915378126,0.618146499,-0.945631207,0.450803517,-1.167487133,0.462384228,0,0,-1.003992061,0.648344888,-1.002167664,0.541782062,-0.988788751,0.325921323,0,0,-0.092812448,0.273303878,0.050824392,-1.10883176,0.053650877,0.439937189,0,0,1.960881367,0.778315354,1.506611347,1.240802105,4.01E-04,0,0,0,0.759407266,0.822130529,0.818863047,2.150187538,1.254872102,0,0,0,1.55822844,0.331463781,1.675281428,0.866905273,2.533670008,0,0,0,0.909033085,0.93334844,0.806622023,2.441065151,0.055607566,0,0,0,2.332321307,0.016881252,2.368427654,0.044150968,2.633207535,0,0,0,2.449292552,6.03E-05,2.447059626,1.58E-04,2.430684832,0,0,0,0.64538079,0.568991795,0.888694059,3.031405391,0.155456687,0,0,0,14.35081156,7.550405781,11.41196128,14.85081156,2.47513526,7.552135466,0.75,4.44E-16,7.40E-17,-21.21030373,3000004.304,500000.7173,8.948474569,14.3669782,7.557387467,11.42296727,14.86550935,2.477584892,7.559103863,0.747796737,5.55E-16,9.25E-17,-21.07641759,3000004.304,500000.7173,8.948474569,28.66045904,13.73173781,21.17248125,27.86247009,4.643745015,13.73173998,-1.196983434,3.33E-16,5.55E-17,-21.38291297,3000004.172,500000.6954,8.948474542,14.38394529,7.564714846,11.43451829,14.88093489,2.480155815,7.566417406,0.745484401,2.22E-16,3.70E-17,-21.62619203,3000004.303,500000.7172,8.948474569,43.74455872,20.24883797,31.47746831,41.5799702,6.929995033,20.24883797,-3.246882793,0,0,0,3000004.13,500000.6884,8.948474534,16.04339762,8.281400091,12.56465991,16.389666,2.731610999,8.282173291,0.519402558,1.11E-16,1.85E-17,-22.04208034,3000004.275,500000.7126,8.948474563,10.19361779,5.701405288,8.591890841,10.85995343,1.809992239,5.716137821,1.628571429,8.88E-16,1.48E-16,-20.79441542,3000004.303,500000.7171,8.948474569,0,11.99654865,15.9987003,-0.327907078,0.405179845,3.328245336,4.814519964,5,11,10,10,4,1,1,0,0,1,11.349242,3.445603326,2.792395245,2.46800231,1.134649377,1.018637612,0.083923071,0.083923071,0.083923071,1.500175395,1.395080814,0.800098601,0.083923071,0.083923071,0.083923071,0.083923071,1.018637612,3.181431758,2.722087809,2.395681862,0.650396334,0.607375549,0.270913902,0.270913902,0.270913902,1.583093374,1.343750351,0.94390447,0.270913902,0.270913902,0.270913902,0.270913902,0.607375549,3.491030798,3.028314638,2.698504663,1.270548622,1.232329453,0.943918427,0.943918427,0.943918427,1.254728138,0.986062882,0.600111953,0.943918427,0.943918427,0.943918427,0.943918427,1.232329453,3.105744419,2.730940909,2.390460977,0.468142722,0.460163917,0.399277246,0.399277246,0.399277246,1.645303751,1.31158806,0.959288079,0.399277246,0.399277246,0.399277246,0.399277246,0.460163917,3.466497117,3.106744481,2.758098511,1.209122893,1.208950731,1.207644823,1.207644823,1.207644823,1.25753177,0.898664316,0.549769781,1.207644823,1.207644823,1.207644823,1.207644823,1.208950731,4.53010145,3.174499948,3.065942602,1.927237344,1.484607841,0.529411765,0.529411765,0.529411765,1.210586352,1.109373972,0.391840625,0.529411765,0.529411765,0.529411765,0.529411765,1.484607841,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.288675135,0,0,0,0.034020691,0,0,0,0.577350269,0.288675135,0,0.068041382,0.034020691,0,4.991563832,2.808060412,1.921668296,1.39384685,0.288675135,0,0,0,0.831927305,0.561612082,0.384333659,0.348461713,0.288675135,0,0,0,3.724744871,1.428869017,0.65824829,0.333333333,0.083333333,0,0,0,0.620790812,0.285773803,0.131649658,0.083333333,0.083333333,0,0,0,6.769880725,12.65549891,12.22352941,12.48,6.836382036,93.54832814,0.564156727,1.054624909,1.018627451,1.04,0.569698503,7.795694012,0.3992,19.414,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,29,0,0,3,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.8125,-0.657407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.511574074,0,0,0,0,0,0,0,0,-0.657407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.736111111,8.076388889,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.038194444,-0.657407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.255787037,0,0,0,0,0,0,0,0,-0.657407407,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.736111111,4.038194444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.736111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.255787037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.736111111,4.038194444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,19.66666667,3.277777778,0.819444444,9.736111111,0.527777778,-0.657407407,1.177694444,2.324074074,2.736111111,7.625,2.324074074,2.736111111,7.625,2.49999,0.41667,0,0.08333,0.69167,1.08334,0.42,0.69167,1.08334,0.27167,0,-0.27167,0,0.38461,0.32968,0,0.53333,0.2,0,5.25,0.875,3.75,0.625,1.5,0.25,-2.25,-0.375,0,0,2.47808,0.41301,5.73058,3.2525,0.54208,1.2546,0.2091,2.80805,1.55345,0.25891,0.10595,0.01766,0.10595,0.01766,0,5.03,3,3,3,3,0,0,0.666666667,1.5,1.959147917,1.959147917,1.959147917,1.660401042,0.930827083,18,23.509775,23.509775,23.509775,19.9248125,11.169925,0.418414418,0.546490491,0.546490491,0.546490491,0.463157158,0.259647649,2.084962501,1.625814584,1.625814584,1.625814584,1.924561459,2.654135417,0.418414418,0.546490491,0.546490491,0.546490491,0.463157158,0.259647649,14.50136983,20.92827319,20.92827319,20.92827319,17.34331069,5.673837517,24,19.24561459,19.24561459,19.24561459,17.45313334,8.169925001,6,3.2,3,6,4,0,1.46,0.6644,0.25,0,1,0,0,0,0,0,0,0,0,1,0.5,0,0,0,0,0,0,0.003,0.162,0.111,0.328,-0.019,1.831,5,4,1,0,0,0,0,0,0,21,1.945910149,2.079441542,1.945910149,0.693147181,0,0,0,0,0,0,3.295836866,1.238095238,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.4,4,0.8,0,2,4,1,1.5,0.666666667,0.125,0,0,0,0,0,0,0,0.3,0.133333333,0.03125,0,0,0,0,0,0,0,0.464583333,10.74240473,15.97847271,21.48480946,3.580801576,10.74245678,2.22E-16,3.70E-17,-21.62619203,3000004.229,500000.7049,8.948474554,35.53,84.17863398,3.584962501,3.044522438,3.663561646,4.317488114,4.96284463,5.624017506,6.274762021,6.938284484,7.590346946,8.254528882,61.67035667,2.397895273,0,3.433987204,0,4.672828834,0,5.96870756,0,7.280008253,7.59739632,90.03169405,7.502641171,10.6758508,1.779308466,7.653238381,7.653238381,0,31,4,0.412,20,1.241636364,2.057597455,2.852227399,3.474033217,4.831413083,5.171656987,0,0,0,0,129.2868888,159.3319406,253.244156,100.0095008,58.49434336,5.254734485,0,0,0,0,261.7511862,283.2050144,555.6066115,402.141008,554.3399894,160.7544641,0,0,0,0,10.68800517,18.85317101,23.84342562,32.24044501,34.38822036,34.74559129,0,0,0,0,1.525894737,1.683231203,3.450351691,2.63154532,5.379992548,2.299385436,0,0,0,0,190.2626187,365.5653896,437.0085045,623.2936577,739.7982803,956.3306671,0,0,0,0,6.008545455,12.81219737,14.82341768,16.88838137,9.662826166,5.171656987,0,0,0,0,0.450283636,0.536876162,0.976058404,0.834264553,1.15953914,0.529577675,0,0,0,0,298.4937463,245.1783534,22.36945104,126.4176802,-103.8376149,-34.45105212,172.0760661,349.0159683,56.82050316,0.70248463,0.577010497,0.052644974,0.29751537,-0.244374729,-0.081078196,126.8334036,104.1790839,9.50503535,53.71631683,-44.12178906,-14.6386457,0.493274756,0.359987555,9.633464866,20.97566741,278.9641338,145.9472928,0.656523022,0.343476978,495.1890323,22.25284324,7.911466723,553.3112487,23.52256892,8.209622101,781.5314302,27.95588364,9.211184531,1.768341264,1.768341264,255.1639888,205.0006586,56.90502715,1.244698385,4.484032458,3.602505242,3.168665532,2.98454971,5.968013245,0.999636067,1.673425364,1.910595425,5.272912469,3.03733292,3.905847007,3.75475781,0.327687525,0.867799711,1.866546985,0.075883132,1.805565442,1.02E-12,1.12E-46,2.36E-102,9.60E-180,7.53E-279,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.140466507,2.544773417,0.56021872,4.808178523,0.327796288,2.829609127,0.034555287,0.8676766,0.039764802,5.37E-04,0.012716745,7.21E-15,7.88E-49,1.66E-104,6.76E-182,5.30E-281,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.453363979,1.365599649,0.988164679,1.81930105,1.058132734,1.745851495,0.069212427,0.86769594,0.205382214,0.005575297,0.132518288,7.51E-14,8.21E-48,1.73E-103,7.04E-181,5.53E-280,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.579585562,2.542302423,6.499354383,4.800735556,3.68686368,4.81371997,0.388333475,0.86781006,1.681388215,0.067612087,1.608726302,9.12E-13,9.97E-47,2.10E-102,8.55E-180,6.71E-279,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.668162454,0.917496808,1.008519225,1.028731349,1.559474137,1.288665284,0.078294781,0.867705881,0.380615469,0.012104634,0.287847429,1.63E-13,1.78E-47,3.76E-103,1.53E-180,1.20E-279,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.020903515,2.310684297,7.693751959,4.110275121,4.716926725,4.984627326,0.459751757,0.867842657,2.635361002,0.110660921,2.633247507,1.49E-12,1.63E-46,3.44E-102,1.40E-179,1.10E-278,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.938068413,5.008819559,5.067797614,16.86956034,1.824831,5.661343458,0.290127957,0.972844403,0.620191548,0.02127666,0.506058134,2.87E-13,3.14E-47,6.61E-103,2.69E-180,2.11E-279,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.295063627,0.460430893,0.278723025,0.853174021,0.091460269,0.659816602,0.443190847,0.333333333,5.034217545,3.303045801,8.888460421,0.779761032,1.436340783,2.239804445,0.620307328,0.037427937,0.773002157,0.2140807,0.179433794,0.80440673,0.006010697,2.89753971,1.496415195,4.44595605,0.659503235,0.989851221,3.310842044,0.446186563,0.133845683,0.850924959,0.114675142,0.392067604,0.416193072,0.076867328,3.89087429,1.980115292,6.068713549,0.776387438,0.885128004,3.970383497,0.513123084,0.249464807,0.838877562,0.108414575,0.563830999,0.550433651,0.267024816,4.732971388,3.155772527,8.396977425,0.758316343,1.381289466,3.916890937,0.369152681,0.195345013,0.874035095,0.082374619,0.548740473,0.284887848,0.163733562,4.481388631,2.283188037,7.047032038,0.811052642,0.997361883,4.337620588,0.480074796,0.291132558,0.849044172,0.093969654,0.672956757,0.481814297,0.363675969,5.108827941,3.484970298,9.200047531,0.773566257,1.518447024,4.067054828,0.499404627,0.258058208,0.842997189,0.103513898,0.591621693,0.52139516,0.285738266,4.824517663,3.209518343,8.55817958,0.764495783,1.398755119 +UMLYSI0416,L,ethanol,CCO,saturated alcohols,C2H6O,64-17-5,702,PubChem,,10.3,0,-0.1076,0.01157776,12.5551,8.322758,0,0,9,3,6,0,2,0,1,0,0,0,0,0,0,0,550.592627,413.090542,301.124757,68.616576,3.048192,0,0,0,0,1249.927047,1381.943116,1279.511439,609.4474637,93.25123329,0,0,0,0,68.743532,62.633728,98.555868,89.278848,20.155392,0,0,0,0,8.888681429,10.23072954,10.86859345,6.274751507,1.333838715,0,0,0,0,1548.54591,1230.9347,2182.117776,2188.016594,554.7529561,0,0,0,0,48.25,27,38,28,3,0,0,0,0,61.17695856,51.63631775,23.16344285,5.718048,1.016064,0,0,0,0,138.880783,172.7428895,98.42395687,50.78728864,31.08374443,0,0,0,0,7.638170222,7.829216,7.581220615,7.439904,6.718464,0,0,0,0,0.98763127,1.278841192,0.83604565,0.522895959,0.444612905,0,0,0,0,172.0606567,153.8668375,167.8552136,182.3347162,184.917652,0,0,0,0,5.361111111,3.375,2.923076923,2.333333333,1,0,0,0,0,0.212328611,-0.099523291,-0.015583991,-0.006955538,0.015898515,0,0,0,0,314.7756536,-63.89650894,-116.86383,-27.32296963,50.69548181,0,0,0,0,363.4566524,-88.00132618,-193.0207684,42.54529023,56.74847822,0,0,0,0,0.966731556,-0.138220938,-0.184296691,-0.230362963,0.069514815,0,0,0,0,1.521513891,-0.379058755,-0.895815807,0.344245746,0.169871871,0,0,0,0,8.524803221,-2.095152562,-5.003585488,2.03320091,0.80313553,0,0,0,0,21.55555556,-4.382716049,-2.663580247,-5.296296296,1.564814815,0,0,0,0,0.023592068,-0.012440411,-0.001198769,-5.80E-04,0.005299505,0,0,0,0,34.97507262,-7.987063617,-8.989525387,-2.276914136,16.89849394,0,0,0,0,40.38407248,-11.00016577,-14.84775142,3.545440852,18.91615941,0,0,0,0,0.107414617,-0.017277617,-0.014176669,-0.019196914,0.023171605,0,0,0,0,0.169057099,-0.047382344,-0.068908908,0.028687145,0.056623957,0,0,0,0,0.947200358,-0.26189407,-0.384891191,0.169433409,0.267711843,0,0,0,0,2.395061728,-0.547839506,-0.204890788,-0.441358025,0.521604938,0,0,0,0,-0.527313308,-0.050812357,-0.024568774,0.224630796,0,0,0,0,-0.228364461,-0.25702664,-0.065101055,0.483158223,0,0,0,0,-0.272388719,-0.367663549,0.087793049,0.468406435,0,0,0,0,-0.160849777,-0.131980813,-0.178717888,0.215721152,0,0,0,0,-0.280274207,-0.407607304,0.169689091,0.334939835,0,0,0,0,-0.276492791,-0.406346121,0.178878109,0.282634863,0,0,0,0,-0.228737113,-0.085547185,-0.184278351,0.217783505,0,0,0,0,1.362086589,0.843193013,1.018268754,0.640857691,0,0,0,0,1.343757467,1.164942368,0.842140789,0,0,0,0,0,1.710703317,1.313971252,0.436062266,0,0,0,0,0,1.071077068,1.025644043,1.174834241,0,0,0,0,0,1.907253819,1.380918473,0.232502442,0,0,0,0,0,1.929307462,1.384601509,0.213810057,0,0,0,0,0,1.136597938,0.984932593,1.175257732,0,0,0,0,0,4.730475337,2.490237669,4.158938287,4.81380867,1.60460289,2.625920833,0.25,0.039532628,0.013177543,-0.969188679,5.769144711,1.923048237,0.525757152,4.732622817,2.490944198,4.16047066,4.815711343,1.605237114,2.626501376,0.249265579,0.039389126,0.013129709,-0.970279649,5.778099001,1.926033,0.526222421,6.642353015,3.121679268,5.787958589,6.509354855,2.169784952,3.185504841,-0.398994478,0.02741894,0.009139647,-1.078956376,5.910236074,1.970078691,0.533005733,4.734876667,2.491685733,4.162079956,4.817708267,1.605902756,2.627110844,0.2484948,0.039238659,0.013079553,-0.971427844,5.787544407,1.929181469,0.526712428,8.671219128,3.794462432,7.741981671,8.310454374,2.770151458,3.825778388,-1.082294264,0.034659876,0.011553292,-1.008651773,4.697206729,1.565735576,0.464090406,4.955509715,2.56432195,4.324553094,5.01322111,1.671073703,2.687570852,0.173134186,0.025291661,0.008430554,-1.103184163,7.024877856,2.341625952,0.584837348,3.685520208,2.176093437,3.518853542,3.90774243,1.30258081,2.390542919,0.666666667,0.190604592,0.063534864,-0.497266259,3.74944391,1.249814637,0.396482262,0,11.99668808,15.99794144,-0.422125211,0.066940864,3.312473146,4.351780764,2,8,8,8,2,0,0,0,0,0,6.559242,3.159863642,2.133604852,1.244091518,0.083923071,0.083923071,0.083923071,0.391069962,0.911191698,1.651500167,0.911191698,0.391069962,0.083923071,0.083923071,0.083923071,1.244091518,2.133604852,3.122199848,2.025860671,1.192988938,0.270913902,0.270913902,0.270913902,0.33638398,0.8681387,1.608985968,0.8681387,0.33638398,0.270913902,0.270913902,0.270913902,1.192988938,2.025860671,3.353704786,2.463557672,1.770563932,0.943918427,0.943918427,0.943918427,0.287845774,0.386634713,1.326619389,0.386634713,0.287845774,0.943918427,0.943918427,0.943918427,1.770563932,2.463557672,3.133535153,2.034425485,1.20896877,0.399277246,0.399277246,0.399277246,0.275176497,0.840005264,1.58367639,0.840005264,0.275176497,0.399277246,0.399277246,0.399277246,1.20896877,2.034425485,3.417682016,2.562928599,1.93180127,1.207644823,1.207644823,1.207644823,0.449104874,0.271694726,1.257501492,0.271694726,0.449104874,1.207644823,1.207644823,1.207644823,1.93180127,2.562928599,4.148507172,2.890490184,1.719796312,0.571428571,0.571428571,0.571428571,0.270744147,0.49630498,1.390375691,0.49630498,0.270744147,0.571428571,0.571428571,0.571428571,1.719796312,2.890490184,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.707106781,1.414213562,0.707106781,0,0,0,0,0,0.902368927,0.707106781,0.707106781,0,0,0,0,0,2.154320377,1.023334547,0.316227766,0,0,0,0,0,0.718106792,0.511667274,0.316227766,0,0,0,0,0,4.340282516,8.994173343,8.525490196,8.68,4.875902994,70.49659162,0.482253613,0.999352594,0.947276688,0.964444444,0.541766999,7.832954624,-0.0014,12.7598,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,6,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.838888889,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0.838888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.761111111,0,0,0,0,0,0,0,0,0,0,0,1.680555556,0,0.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.838888889,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0.838888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.311111111,0,0,0,0,0,0,0,0,0,0,0,1.680555556,0,0.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.838888889,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0.838888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.45,0,0,0,0,0,0,0,0,0,0,0,1.680555556,0,0.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.569444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.5,3.166666667,0.838888889,7.569444444,0.311111111,0.25,0.8465,1.25,1.569444444,3.138888889,1.25,1.569444444,3.138888889,1.33333,0.44444,0,0.05556,0.51852,0.95556,0.40909,0.51852,0.79167,0.10943,0,-0.10943,0.16389,0.46511,0.24918,0,0.625,0,0,1.25,0.41667,1.25,0.41667,0,0,-1.25,-0.41667,0,0,1.38742,0.46247,1.91421,0.52679,0.1756,1.05409,0.35136,1.41421,0.36012,0.12004,0,0,0,0,0,2.01,1,1,1,1,1,1,1,1.224394445,1.879964949,2.419381946,2.067168057,0.880534723,0,11.01955001,16.91968454,21.77443751,18.60451251,7.924812504,0,0.386253443,0.593062911,0.763230027,0.652118916,0.277777778,0,1.945530556,1.289960053,0.750543056,1.102756945,2.289390279,3.169925001,0.408131482,0.626654983,0.806460649,0.689056019,0.293511574,0,11.81312432,14.91653023,15.46016819,11.23360152,0.887424935,0,10.94402779,9.752038633,9.945865283,7.832581948,1.93717639,0,3,2,0,3,0,2,1.57,0.4491,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.385,0.375,0.449,0.205,1.622,1,0,0,0,0,0,0,0,0,6,1.098612289,0.693147181,0,0,0,0,0,0,0,0,1.945910149,1,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,1,0,1,2,1,0.5,0,0,0,0,0,0,0,0,0,0.25,0,0,0,0,0,0,0,0,0,0.25,2.732050808,4.732050808,5.464101615,1.821367205,2.832072757,5.55E-16,1.85E-16,-10.5382088,2000000,666666.6667,4.352597322,20.23,51.93865465,2.584962501,1.945910149,2.197224577,2.564949357,2.833213344,3.218875825,3.496507561,3.891820298,4.17438727,4.574710979,33.89759936,1.609437912,0,2.197224577,0,2.833213344,0,3.496507561,0,4.17438727,4.852030264,46.04186481,5.115762757,4.914213562,1.638071187,2.207106781,2.207106781,0,4,0,-0.076,6,1.179,2.039621484,2.690252074,2.585857014,0,0,0,0,0,0,71.46196751,52.41409996,15.50586807,2.627396221,0,0,0,0,0,0,223.1511392,210.8454762,135.2663874,80.37811856,0,0,0,0,0,0,9.260396696,15.56323393,20.09991093,17.37298726,0,0,0,0,0,0,1.603234363,1.754174552,1.384289066,1.149705399,0,0,0,0,0,0,179.3332147,340.3084459,491.758025,478.1706075,0,0,0,0,0,0,4.107,6.269674325,6.420524916,2.585857014,0,0,0,0,0,0,0.382271138,0.444686467,0.373633365,0.264791758,0,0,0,0,0,0,298.7437975,130.7948074,15.7399288,107.7993422,-47.19627428,-19.16417319,190.9444552,177.9910817,34.90410199,0.734839106,0.321724301,0.038716503,0.265160894,-0.116091676,-0.047139335,121.4522414,53.17373165,6.398960071,43.82508304,-19.18732153,-7.791063138,0.478992453,0.904455144,13.48908246,37.42616424,337.0019819,69.54115779,0.828945194,0.171054806,159.761468,12.63967832,5.426136078,226.2275805,15.04086369,6.093243262,194.2362104,13.93686516,5.791308925,1.246666748,1.090791249,59.27156138,50.14278498,15.82885798,1.182055632,3.744525438,3.167808128,2.219699476,2.151830091,3.096569067,0.439039765,2.108840177,1.333680365,2.703243702,0.34122013,4.709543889,1.71E-07,7.15E-36,5.78E-86,8.99E-158,2.70E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.196885394,1.458312793,0.256709768,0.192020866,0.115613464,1.91E-08,8.00E-37,6.46E-87,1.01E-158,3.02E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.516120971,1.222238178,0.568159037,0.119127664,0.440305257,3.31E-08,1.39E-36,1.12E-86,1.74E-158,5.23E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.213531168,1.459969432,3.046176936,0.37723783,4.48345045,2.15E-07,8.98E-36,7.25E-86,1.13E-157,3.39E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.69376653,1.13267509,0.695984081,0.100706218,0.776250224,3.28E-08,1.37E-36,1.11E-86,1.72E-158,5.18E-252,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.727360118,1.414950657,3.723437008,0.462486214,6.870082256,2.50E-07,1.04E-35,8.44E-86,1.31E-157,3.95E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.2191444,2.054710013,3.67844634,0.66748152,2.822856921,3.35E-07,1.40E-35,1.13E-85,1.76E-157,5.29E-251,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.065241611,0.726116837,0.369336683,0.493008752,0.336057052,0.720983372,0.532985397,0.444427299,2.160695131,1.435104257,3.88147757,0.243598707,1.698396068,1.181393591,0.271029468,0.072730521,0.774606313,0.177706344,0.762014049,0.067458172,0.017234125,1.52515358,0.425827962,1.974269308,0.661909469,0.846706346,0.988721554,0.483275124,0.207480959,0.588707781,0.287753236,0.593756192,0.231844115,0.140253055,1.679477637,0.783235814,2.561852943,0.383061672,0.965853362,1.105275958,0.699305181,0.348849548,0.513262843,0.324740046,0.727510236,0.480281895,0.396489936,2.153430688,1.40245252,3.825517816,0.269894265,1.604282067,0.950314392,0.569455504,0.272197704,0.530318959,0.317782254,0.608255515,0.330915281,0.241393046,1.7919676,0.954839638,2.894110227,0.295478438,1.180563843,1.087144233,0.749813252,0.38394547,0.48950551,0.337616396,0.738982019,0.565250844,0.480280478,2.220902956,1.520446659,4.054324743,0.240682859,1.784513342,1.102789892,0.700746855,0.350245722,0.512024732,0.325356374,0.726813979,0.483250842,0.399669968,2.153782468,1.404457578,3.828901726,0.268037099,1.609734789 +UMLYSI0417,L,"1,3-dioxolane",C1COCO1,cyclic saturated ethers,C3H6O2,646-06-0,12586,PubChem,,10.3,0,-0.2795,0.07812025,16.8965,10.884758,0,0,11,5,6,0,3,0,2,0,0,0,0,0,0,0,950.824749,985.562605,1109.316701,165.428928,8.128512,0,0,0,0,1889.834726,2322.854608,2877.190328,1370.282431,248.6699554,0,0,0,0,89.635764,90.381844,172.89578,121.699584,53.747712,0,0,0,0,12.32078543,14.82752586,18.96584384,12.82587804,3.556903239,0,0,0,0,1860.791552,1658.902956,3394.444015,2705.388097,1479.341216,0,0,0,0,37.25,32.25,64.25,30,8,0,0,0,0,86.43861355,89.59660045,55.46583505,10.339308,1.016064,0,0,0,0,171.8031569,211.1686008,143.8595164,85.64265195,31.08374443,0,0,0,0,8.148705818,8.216531273,8.644789,7.606224,6.718464,0,0,0,0,1.120071403,1.347956896,0.948292192,0.801617378,0.444612905,0,0,0,0,169.1628684,150.8093596,169.7222008,169.086756,184.917652,0,0,0,0,3.386363636,2.931818182,3.2125,1.875,1,0,0,0,0,0.310108078,-0.107073602,-0.080622742,-0.008638465,0.041280771,0,0,0,0,451.9430907,42.08572655,-207.6254765,-322.7700487,262.3382533,0,0,0,0,478.2138737,-108.5970605,-24.06526684,-371.2176182,264.7730086,0,0,0,0,1.718890909,-0.147261091,-0.750311835,-0.404014413,0.442141884,0,0,0,0,2.077777484,-1.223918192,0.60548342,-1.131768324,0.711314354,0,0,0,0,11.97845018,-8.035365468,4.207230082,-5.377858252,3.216768549,0,0,0,0,9.409090909,-0.363636364,-4.448347107,-2.685950413,2.79338843,0,0,0,0,0.028191643,-0.009733964,-0.004031137,-5.40E-04,0.005160096,0,0,0,0,41.08573552,3.82597514,-10.38127383,-20.17312804,32.79228166,0,0,0,0,43.47398852,-9.872460045,-1.203263342,-23.20110114,33.09662608,0,0,0,0,0.15626281,-0.013387372,-0.037515592,-0.025250901,0.055267736,0,0,0,0,0.188888862,-0.11126529,0.030274171,-0.07073552,0.088914294,0,0,0,0,1.088950016,-0.73048777,0.210361504,-0.336116141,0.402096069,0,0,0,0,0.855371901,-0.033057851,-0.222417355,-0.167871901,0.349173554,0,0,0,0,-0.34527834,-0.142990497,-0.019151209,0.18303638,0,0,0,0,0.093121739,-0.252673433,-0.491000776,0.798142743,0,0,0,0,-0.227088896,-0.027677777,-0.533677767,0.761297208,0,0,0,0,-0.085672156,-0.240080105,-0.161592517,0.353684511,0,0,0,0,-0.58905162,0.160275046,-0.374482219,0.470722801,0,0,0,0,-0.670818457,0.193178292,-0.308660761,0.369251171,0,0,0,0,-0.038647343,-0.260024155,-0.196256039,0.40821256,0,0,0,0,1.275357613,1.471910103,0.714040212,0.013527599,0,0,0,0,0.794561655,1.279980278,1.291263515,0,0,0,0,0,1.414885359,0.855780841,1.395040264,0,0,0,0,0,0.909717683,1.565914385,0.854676113,0,0,0,0,0,1.980315676,0.683277281,1.221936371,0,0,0,0,0,2.088501189,0.68850093,1.14102927,0,0,0,0,0,0.845410628,1.56763285,0.89673913,0,0,0,0,0,9.31375679,4.906878395,7.039660613,9.61375679,1.922751358,4.928403965,0.5,2.22E-16,4.44E-17,-18.02182669,2000006.152,400001.2305,7.254330407,9.321597404,4.910064281,7.044085364,9.620716099,1.92414322,4.931510378,0.498531158,4.44E-16,8.88E-17,-17.6752531,2000006.154,400001.2308,7.254330408,16.32998427,7.765997656,11.5151058,15.85119089,3.170238179,7.76690106,-0.797988956,0.045023301,0.00900466,-1.550287563,14.66696911,2.933393821,1.342798983,9.329826577,4.913408089,7.048730642,9.628020337,1.925604067,4.934771098,0.4969896,2.22E-16,4.44E-17,-18.02182669,2000006.156,400001.2311,7.254330408,23.79600229,10.81570688,16.51870697,22.49724917,4.499449834,10.81574352,-2.164588529,0.087225644,0.017445129,-1.219628453,15.4654289,3.093085779,1.36930357,10.13626,5.241264184,7.510029471,10.34402102,2.068804204,5.255899853,0.346268372,2.22E-16,4.44E-17,-18.02182669,2000006.341,400001.2682,7.254330455,6.77378588,3.539316601,5.244035797,7.002357308,1.400471462,3.648850456,1.142857143,0,0,0,2000005.852,400001.1704,7.254330332,0,11.99702078,15.99778325,-0.371716562,0.166651623,4.520197194,5.01151896,5,11,11,11,5,0,0,0,0,0,10.391242,3.49024352,2.429893973,2.163816957,0.81341532,0.633261374,0.083923071,0.083923071,0.083923071,1.561280232,1.337167204,0.716356548,0.083923071,0.083923071,0.083923071,0.633261374,0.81341532,3.342768017,2.443481864,1.971628802,0.558468988,0.456697138,0.270913902,0.270913902,0.270913902,1.544384783,1.400418411,0.585901701,0.270913902,0.270913902,0.270913902,0.456697138,0.558468988,3.598341073,2.695842486,2.368144276,1.187957528,1.100175857,0.943918427,0.943918427,0.943918427,1.281520595,1.054455463,0.121404317,0.943918427,0.943918427,0.943918427,1.100175857,1.187957528,3.311573254,2.467871521,1.958789967,0.453031235,0.431945453,0.399277246,0.399277246,0.399277246,1.532304435,1.43455361,0.498042607,0.399277246,0.399277246,0.399277246,0.431945453,0.453031235,3.612648708,2.79507661,2.438493549,1.208805385,1.208341341,1.207644823,1.207644823,1.207644823,1.230268038,1.026838563,0.035447622,1.207644823,1.207644823,1.207644823,1.208341341,1.208805385,3.942142108,2.850293292,2.650517959,1.444800614,1.32561672,0.666666667,0.666666667,0.666666667,1.295093906,0.962761917,0.288848204,0.666666667,0.666666667,0.666666667,1.32561672,1.444800614,0,0,0,0,0,2,0,0,0,0,0,0.176776695,0,0,0,0,0.058925565,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.535533906,2.5,1.767766953,1.25,0.883883476,0,0,0,0.707106781,0.5,0.353553391,0.25,0.176776695,0,0,0,2.937816924,1.654700538,0.934347711,0.538675135,0.294627825,0,0,0,0.587563385,0.330940108,0.186869542,0.107735027,0.058925565,0,0,0,6.05508162,11.32483613,10.8745098,11.08,6.356142515,85.39380719,0.550461965,1.029530557,0.9885918,1.007272727,0.577831138,7.763073381,-0.0093,16.771,14,18.61803399,28,5.6,14.000001,1.11E-16,2.22E-17,-18.36840028,19.22543377,3.845086753,1.478117039,20,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.122222222,0,0,0,0,0,0,0,0,0,0,0,0,0,2.055555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.444444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.722222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.722222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.722222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0.777777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.722222222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11.5,2.3,0.7,4.722222222,0.388888889,0.5,0.990777778,1,1.222222222,4.888888889,1,1.222222222,4.888888889,2.16666,0.43333,0,0.06667,0.62121,1.00667,0.43333,0.62121,1.00667,0.18788,0,-0.18788,0,0.43046,0.28383,0,0,0,0,3.5,0.7,3.5,0.7,0,0,-3.5,-0.7,0,0,2.315,0.463,3.75,1.435,0.287,1.54061,0.30812,2.5,0.95939,0.19188,-0.086,-0.0172,0,0,0.454545455,5.02,2,2,2,2,0,0,1,1.435371391,1.685815709,2.186704346,2.186704346,2.186704346,1.872210562,15.7890853,18.5439728,24.05374781,24.05374781,24.05374781,20.59431619,0.414915382,0.487310025,0.632099312,0.632099312,0.632099312,0.541190221,2.024060228,1.773615909,1.272727273,1.272727273,1.272727273,1.587221056,0.414915382,0.487310025,0.632099312,0.632099312,0.632099312,0.541190221,13.7677779,16.77310973,17.27791783,17.27791783,17.27791783,13.50399243,19.2185484,17.26960442,17.42485388,17.42485388,17.42485388,15.53789118,3.2,1.44,0.64,0,0,0,1.57,0.5401,0,0,0,0,1.889881575,0,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0.003,0.733,0.724,0.647,0.274,2.345,5,5,5,0,0,0,0,0,0,25,1.791759469,1.791759469,1.791759469,1.791759469,0,0,0,0,0,0,3.258096538,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,2,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,8.618033989,12,2.4,6.006204681,0,0,0,13.96759521,2.793519041,1.318370009,18.46,65.66840728,3.321928095,3.044522438,3.713572067,4.394449155,5.081404365,5.771441123,6.463029457,7.155396302,7.848153086,8.541105011,62.013073,2.397895273,0,3.433987204,2.397895273,4.615120517,4.262679877,5.860786223,5.888877958,7.147559271,7.6989362,74.03677943,6.730616312,9.6875,1.9375,5.75,5.75,0,15,0,-0.243,20,1.362143842,2.260896537,2.995925262,4.023058696,0,0,0,0,0,0,146.6890799,142.826913,33.18772835,4.087685111,0,0,0,0,0,0,312.7445512,346.6357847,272.0375919,125.0517283,0,0,0,0,0,0,11.59759352,19.97753273,22.91019603,27.02877502,0,0,0,0,0,0,1.861454937,2.204198088,2.519040594,1.788703813,0,0,0,0,0,0,205.5518676,383.4499086,501.0769395,743.934568,0,0,0,0,0,0,4.514224441,7.877409625,5.752408893,4.023058696,0,0,0,0,0,0,0.518039321,0.639154934,0.615387669,0.41196121,0,0,0,0,0,0,189.8914408,133.8411479,15.79255016,70.71302094,-49.84064501,-24.9203225,119.1784199,183.6817929,40.71287266,0.728657674,0.513579649,0.060599692,0.271342326,-0.19125016,-0.09562508,49.48655673,34.87960031,4.115609033,18.42812876,-12.98869447,-6.494347233,0.209061214,0.5,6.752209966,17.0446005,189.8914408,70.71302094,0.728657674,0.271342326,366.3327594,19.1398213,7.155257251,424.4549759,20.60230511,7.515257685,502.6025694,22.41879946,7.950752507,1.685779077,1.685779077,156.5886467,92.30643268,77.12447814,1.696400155,2.030336548,1.196850013,2.966608375,3.19270497,4.365371484,0.367295609,1.673436133,0.812280345,6.952781431,2.416008799,3.179755494,1.929654104,1.295268323,0.19331297,3.23E-18,1.23E-56,9.04E-117,1.28E-198,3.50E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.140470159,1.068033961,1.822790916,2.287544622,2.000129984,0.158107967,0.00912271,0.001361519,2.27E-20,8.66E-59,6.37E-119,9.03E-201,2.47E-304,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.453380861,0.592369572,1.919543205,1.615477606,0.981717692,0.512880641,0.095065442,0.014188078,2.37E-19,9.02E-58,6.63E-118,9.40E-200,2.57E-303,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.579589243,1.067094394,7.954959141,2.760900697,4.311168522,1.81887021,1.154060776,0.172238376,2.88E-18,1.10E-56,8.05E-117,1.14E-198,3.12E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.668184364,0.411615468,1.996561235,1.385871314,0.779598081,0.758428935,0.20649477,0.030818402,5.14E-19,1.96E-57,1.44E-117,2.04E-199,5.59E-303,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.020909797,0.973703671,9.415615093,2.894114397,4.486514839,2.342931326,1.889027022,0.281928799,4.71E-18,1.79E-56,1.32E-116,1.87E-198,5.11E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.115635839,1.83975357,9.094682461,3.724290789,8.27282959,1.275557759,0.575674894,0.085916876,1.43E-18,5.46E-57,4.02E-117,5.70E-199,1.56E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.108187144,0.789944265,0.451449217,0.629388386,0.235833781,0.545689458,0.531216085,0.548551422,3.349580626,2.973709498,7.075111232,0.444082579,1.625456964,1.159828008,0.974859173,0.099762475,0.51906652,0.436286031,1.064983375,0.122568602,0.022585946,2.234449656,1.343630649,3.690878641,0.433028828,1.210137924,1.559961072,0.819913317,0.236468196,0.596237313,0.313381482,0.298722576,0.559517626,0.137811118,2.616342585,1.841797461,4.760590639,0.394355969,0.99605132,1.959706665,0.879823725,0.42130319,0.600983343,0.269815587,0.4714506,0.649646732,0.455400842,3.260833579,2.920499628,6.907742657,0.401475014,1.576498174,1.85889881,0.684419687,0.315044826,0.650336784,0.239444609,0.424231603,0.396052864,0.261719746,2.858363323,2.073526275,5.332710715,0.475505175,1.082004213,2.141940032,0.814895549,0.47354406,0.624403202,0.237552584,0.563304091,0.565244644,0.60337768,3.430379641,3.145649323,7.402579945,0.436604803,1.731926415,2.024285453,0.837646277,0.433690249,0.614234723,0.254169405,0.503069796,0.591826216,0.491970417,3.29562198,2.936827059,6.96782948,0.421352084,1.586866429 +UMLYSI0418,L,2-hydroxy-methylpropionate,CC(C)(C)(C(=O)[O-]),other multi-oxygen compounds,C4H8O3,27871-49-4,94386,UML,,9.6,0,0.6386,0.40780996,24.0683,16.405137,0,0,16,7,9,0,5,0,2,0,0,0,0,0,0,0,1242.401183,1070.348254,1623.989073,1479.87531,317.719584,0,0,0,0,2830.119763,3332.156158,4675.334439,4914.265654,2315.506451,0,0,0,0,124.872188,114.28852,203.187444,252.379368,351.879552,0,0,0,0,19.23242414,23.85617879,34.07869893,38.10173637,21.63037218,0,0,0,0,2669.13322,2191.967011,4295.265877,5054.368759,8326.093585,0,0,0,0,123.3402778,50.91666667,108.75,135,153,0,0,0,0,77.65007394,71.35655027,60.14774344,44.84470636,7.0604352,0,0,0,0,176.8824852,222.1437439,173.1605348,148.917141,51.45569891,0,0,0,0,7.80451175,7.619234667,7.525460889,7.647859636,7.8195456,0,0,0,0,1.202026509,1.590411919,1.262174035,1.154598072,0.480674937,0,0,0,0,166.8208263,146.131134,159.0839214,153.1626897,185.0243019,0,0,0,0,7.708767361,3.394444444,4.027777778,4.090909091,3.4,0,0,0,0,0.268180826,-0.174939868,0.001974096,0.130010457,-0.091135097,0,0,0,0,603.2595814,-32.38392422,380.0468928,-485.7588633,-163.533896,0,0,0,0,748.5794396,-84.15403941,401.0452023,-1262.310591,571.1297085,0,0,0,0,1.85081575,-7.22E-04,1.071545422,-0.010833984,-1.985397047,0,0,0,0,3.322024351,-0.452665138,1.473262295,-6.789977075,4.108367743,0,0,0,0,18.85049009,-2.591855889,7.923823085,-38.87783834,24.1206261,0,0,0,0,59.67317708,-3.098551432,33.16609701,3.000895182,-62.9050293,0,0,0,0,0.016761302,-0.011662658,7.31E-05,0.003939711,-0.002025224,0,0,0,0,37.70372384,-2.158928282,14.07581085,-14.71996556,-3.634086577,0,0,0,0,46.78621497,-5.610269294,14.85352601,-38.25183609,12.6917713,0,0,0,0,0.115675984,-4.82E-05,0.039686867,-3.28E-04,-0.044119934,0,0,0,0,0.207626522,-0.030177676,0.05456527,-0.205756881,0.091297061,0,0,0,0,1.178155631,-0.172790393,0.293474929,-1.178116313,0.536013913,0,0,0,0,3.729573568,-0.206570095,1.228373963,0.090936218,-1.39788954,0,0,0,0,-0.695808604,0.004362111,0.235048023,-0.120827393,0,0,0,0,-0.057260346,0.373326807,-0.390411452,-0.096385349,0,0,0,0,-0.11991287,0.317476548,-0.817587747,0.271271598,0,0,0,0,-4.16E-04,0.34308649,-0.002838122,-0.38140963,0,0,0,0,-0.145345959,0.262804914,-0.990995173,0.439717721,0,0,0,0,-0.146661772,0.249096912,-0.999966628,0.454960193,0,0,0,0,-0.055387055,0.329360432,0.024382471,-0.374812164,0,0,0,0,1.701735099,0.737366085,1.144148334,0.817959871,0,0,0,0,0.929452597,0.516362554,1.267435359,1.117579005,0,0,0,0,1.399346522,0.777414734,1.908199802,0.334422464,0,0,0,0,0.503121934,0.279512186,0.686075365,1.82813011,0,0,0,0,1.590094691,0.883385939,2.168310942,0.016508849,0,0,0,0,1.599963291,0.888868495,2.181768124,6.12E-05,0,0,0,0,0.567675489,0.311981012,0.655083423,1.809858387,0,0,0,0,21.32349054,10.91174527,15.45155251,21.6806334,3.097233343,10.91179966,0.5,0.087084907,0.012440701,-1.708610189,20.47080972,2.924401388,2.113299969,21.32843873,10.91348494,15.45404602,21.68453241,3.097790344,10.91353922,0.498531158,0.086889628,0.012412804,-1.710181627,20.46897465,2.924139236,2.113237216,25.76599447,12.48400276,17.85696777,25.19600236,3.599428909,12.48401188,-0.797988956,0.084171593,0.012024513,-1.732428456,20.7616312,2.965947314,2.12317464,21.3336321,10.91531085,15.45666352,21.68862468,3.098374954,10.91536501,0.4969896,0.086684677,0.012383525,-1.711834706,20.46705375,2.923864822,2.113171522,30.54933535,14.19237341,20.82433927,29.00320068,4.143314383,14.19237493,-2.164588529,0.239470415,0.034210059,-1.000527777,28.70105092,4.100150131,2.349853618,21.84252337,11.09439587,15.71529479,22.08985792,3.155693988,11.09443948,0.346268372,0.066622873,0.009517553,-1.896095123,20.30389103,2.900555862,2.107568781,25.65541659,13.10069048,19.20793905,26.16749943,3.738214205,13.10069853,1.318809524,0.188581597,0.026940228,-1.167757144,20.11145922,2.873065603,2.100902834,0,11.99640053,15.99825848,-0.265680108,0.380097423,3.939363455,7.941502541,6,15,14,14,5,1,1,0,0,1,11.754863,3.617678239,2.844167824,2.333552793,2.333552793,1.332028973,0.661903857,0.083923071,0.083923071,1.856861088,1.249629723,1.249629723,0.850936789,0.083923071,0.083923071,0.083923071,0.083923071,3.564055114,2.648242077,2.405454588,2.405454588,0.714799104,0.652483172,0.270913902,0.270913902,1.829465638,1.134540686,1.134540686,1.049601719,0.270913902,0.270913902,0.270913902,0.270913902,3.694679354,2.949459272,2.704236987,2.704236987,1.330662782,1.016693821,0.943918427,0.943918427,1.660352288,0.76031856,0.76031856,0.725898951,0.943918427,0.943918427,0.943918427,0.943918427,3.561667469,2.584788598,2.457539916,2.457539916,0.676184907,0.480239521,0.399277246,0.399277246,1.818631558,1.124492649,1.058262671,1.058262671,0.399277246,0.399277246,0.399277246,0.399277246,3.72023499,2.94124722,2.838982085,2.838982085,1.209386073,1.207644823,1.207644823,1.207644823,1.628121305,0.7331629,0.631337262,0.631337262,1.11683289,1.207644823,1.207644823,1.207644823,4.887253196,3.925233645,3.366710476,2.595718169,2.595718169,1.021118889,0.560747664,0.560747664,1.731139143,0.913475178,0.913475178,0.300952764,0.560747664,0.560747664,0.560747664,0.560747664,0,0,1,0,0,3,0,0,1,0,0,0,0,0,0,0,0,0,0,1.654700538,0.288675135,0.866025404,0.288675135,1.25,0.25,0,0,2.598076211,0.577350269,0,0.306186218,0.102062073,0,6.077350269,2.943375673,3.520725942,1.732050808,0,0,0,0,0.868192896,0.490562612,0.391191771,0.288675135,0,0,0,0,4.40824829,1.954124145,2.352062073,0.306186218,0,0,0,0,0.629749756,0.325687358,0.26134023,0.051031036,0,0,0,0,8.867823326,16.15659141,15.4627451,15.72,9.553974251,123.3075371,0.554238958,1.009786963,0.966421569,0.9825,0.597123391,7.70672107,-1.254,24.462,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,29,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.909722222,-1.006944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.152083333,0,0,0,0,0,0,0,0,0,0,0,4.798611111,0,0,0,0,0,0,0,0,-1.006944444,0,0,-0.694444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.909722222,0,0,0,9.909722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.909722222,-1.006944444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384027778,0,0,0,0,0,0,0,0,0,0,0,1.599537037,0,0,0,0,0,0,0,0,-1.006944444,0,0,-0.694444444,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.909722222,0,0,0,9.909722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.909722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.384027778,0,0,0,0,0,0,0,0,0,0,0,1.599537037,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.909722222,0,0,0,9.909722222,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,22.91666667,3.273809524,0.626736111,9.909722222,0.340277778,-1.006944444,2.044840278,2.673611111,2.909722222,11.63888889,2.673611111,2.909722222,11.63888889,3.16666,0.45238,0,0.04762,0.57083,0.91905,0.42174,0.57083,0.91905,0.14909,0,-0.14909,0,0.49223,0.22206,0,0.68421,0.1579,0.1579,5,0.71429,3.5,0.5,1.5,0.21429,-2,-0.28571,0,0,5.59615,0.79945,8.30939,2.71324,0.38761,2.08644,0.29806,2.94337,0.85693,0.12242,0.47063,0.06723,0.47063,0.06723,0,6.02,2,2,2,2,0,0,0.8,1.366314657,1.919736718,1.919736718,1.669736718,0.966917187,0,21.86103451,30.71578748,30.71578748,26.71578748,15.47067499,0,0.341578664,0.479934179,0.479934179,0.417434179,0.241729297,0,2.633685343,2.080263282,2.080263282,2.330263282,3.033082813,4,0.341578664,0.479934179,0.479934179,0.417434179,0.241729297,0,12.76143346,19.90186251,19.90186251,16.90186251,8.468028139,0,25.93417879,19.35300624,19.35300624,17.85300624,8.20225468,0,7,1.851851852,2.666666667,7,2,3,1.79,0.866,1.5,0,1.5,3,0,0,0,0,1,0,0.5,0,0,0,0,0,0,0,0,0.246,0.155,0.138,0.182,0.07,2.286,9,6,0,0,0,0,0,0,0,28,2.079441542,2.48490665,2.302585093,0,0,0,0,0,0,0,3.555348061,1.214285714,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.166666667,5,0.833333333,0,2,3,0.5,3.5,1.333333333,0,0,0,0,0,0,0,0,0.583333333,0.148148148,0,0,0,0,0,0,0,0,0.731481481,12.39447519,17.42236439,24.78895039,3.541278627,12.3944854,0.054750938,0.007821563,-2.033472543,19.75447612,2.822068017,2.088366073,40.13,108.6621472,3.807354922,3.433987204,4.110873864,4.934473933,5.666426688,6.475432717,7.221835825,8.026496939,8.776630098,9.580040124,71.22619739,2.564949357,0,3.891820298,0,5.379897354,0,6.91671502,0,8.466531277,8.706821323,101.0602545,6.316265908,12.29305504,1.75615072,4.654700538,4.654700538,0,42,6,0.186,30,1.242733333,2.137196597,2.978335901,3.404786648,0,0,0,0,0,0,99.1575696,144.066419,137.7976713,24.52166635,0,0,0,0,0,0,299.6134485,405.7588272,447.9470001,176.8215272,0,0,0,0,0,0,9.51165631,16.24075275,22.84648734,26.71175988,0,0,0,0,0,0,2.101017813,2.894706985,3.444091771,1.639473657,0,0,0,0,0,0,179.6597847,334.9249579,456.1751303,629.9767842,0,0,0,0,0,0,4.286905556,9.240637857,12.47025148,11.76781447,0,0,0,0,0,0,0.469669,0.662979256,0.850409343,0.491379161,0,0,0,0,0,0,206.4703125,132.4379263,12.63926209,107.8818009,-69.19949807,-21.46327809,98.58851163,201.6374244,34.10254018,0.65681223,0.421304393,0.040207339,0.34318777,-0.220133714,-0.068277823,64.90437907,41.63214202,3.97317875,33.91287209,-21.75300846,-6.747026826,0.562431246,0.384011223,12.80589787,16.1418366,209.6780749,104.6740384,0.667016591,0.332983409,488.3046917,22.09761733,7.874632575,575.4880165,23.98933131,8.317869356,873.1534273,29.54916965,9.557922858,1.053158034,1.021954156,238.4799744,195.8778955,151.0431956,1.21749304,1.578885917,1.296833629,3.453437583,2.386462198,4.277672033,0.792474248,2.523330943,3.939454268,1.741123455,11.81370449,2.661087597,3.818885306,2.608068455,0.02558698,6.29E-23,3.07E-65,2.98E-129,5.72E-215,2.17E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.228273082,3.937439069,0.081642936,6.89875724,2.420710549,1.260877191,0.083124003,0.002860208,7.03E-24,3.44E-66,3.33E-130,6.39E-216,2.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.68947624,3.894983237,0.30524445,7.47054642,1.411166793,1.074107103,0.265760943,0.004954769,1.22E-23,5.95E-66,5.77E-130,1.11E-215,3.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.38693364,3.97094759,1.598986549,12.08616453,3.281899884,4.739466845,2.549425087,0.032137819,7.90E-23,3.86E-65,3.74E-129,7.18E-215,2.77E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.008579432,3.877896522,0.492940886,7.898907133,1.049818745,0.92884888,0.435769065,0.004906237,1.21E-23,5.89E-66,5.71E-130,1.10E-215,3.5E-323,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.047310579,3.96821776,2.314128921,13.42009477,3.392140242,5.396919216,3.804922689,0.037370008,9.19E-23,4.49E-65,4.35E-129,8.35E-215,3.16E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.627063172,3.217573315,0.619528998,14.15633792,8.764563034,9.397223906,1.98642,0.056316671,1.38E-22,6.77E-65,6.56E-129,1.26E-214,4.74E-322,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.422800279,1.248853045,1.185600171,0.368863566,0.323767428,0.547344941,0.469413129,0.401201208,3.857253494,4.944381097,10.90829014,0.053295349,1.417959279,1.86395824,0.957963344,0.536540364,0.555003531,0.285238707,1.017328398,0.265776624,0.086559346,3.358461949,3.299678504,7.616188896,0.332505296,1.369664367,1.290222103,1.078266298,0.865324221,0.398978622,0.333434996,0.485355964,0.343797227,0.225151052,3.233812623,3.440713393,7.878367678,0.098620426,1.054304242,1.416327822,1.323403421,1.178037843,0.361513859,0.337795156,0.482323063,0.463213721,0.417315704,3.917769085,5.101880167,11.22773168,0.048963523,1.362852488,1.172994544,1.05907991,1.029793339,0.359608242,0.324685112,0.355657001,0.31241954,0.319579476,3.261867793,3.540870361,8.082045226,0.039412363,0.987656016,1.468106659,1.284304753,1.21882597,0.369684941,0.323401658,0.583114403,0.496421421,0.424130727,3.971237382,5.240206869,11.50953618,0.054527412,1.50366655,1.42132783,1.333800739,1.176318226,0.361527932,0.339264604,0.479947849,0.466608111,0.416092758,3.931446796,5.136676063,11.29814944,0.051188804,1.362648718 +UMLYSI0419,L,ethyl formate,CCOC=O,saturated esters,C3H6O2,109-94-4,8025,PubChem,,9.2,0,0.1927,0.03713329,17.6346,10.884758,0,0,11,5,6,0,3,0,2,0,0,0,0,0,0,0,950.824749,793.398616,721.503775,427.226734,274.878453,51.429168,0,0,0,1889.834726,2020.125106,1968.709763,1502.999611,987.8707177,339.2921252,0,0,0,89.635764,80.34796,131.272804,107.651584,70.883676,48.568896,0,0,0,12.32078543,13.48818586,14.25668911,11.74085432,7.752279022,2.938142673,0,0,0,1860.791552,1505.559628,2711.609424,2404.56407,1506.037377,1110.305786,0,0,0,77.5,40.25,64.5,36.5,38,24,0,0,0,86.43861355,79.3398616,45.09398594,30.51619529,30.54205033,8.571528,0,0,0,171.8031569,202.0125106,123.0443602,107.3571151,109.7634131,56.54868753,0,0,0,8.148705818,8.034796,8.20455025,7.689398857,7.875964,8.094816,0,0,0,1.120071403,1.348818586,0.89104307,0.838632451,0.861364336,0.489690445,0,0,0,169.1628684,150.5559628,169.475589,171.7545764,167.3374863,185.0509644,0,0,0,7.045454545,4.025,4.03125,2.607142857,4.222222222,4,0,0,0,0.268003906,-0.127993573,-7.06E-04,-0.004559951,0.009281886,-0.01002473,0,0,0,451.9430907,-6.799068661,-69.56382597,23.67372871,-112.5002291,-60.78215031,0,0,0,478.2138737,-139.8847081,-83.23908658,97.41740431,-154.3211615,40.92061498,0,0,0,1.718890909,-0.080206281,0.16209395,-0.254877884,-0.269062017,-0.417393223,0,0,0,2.077777484,-1.109015116,-0.092372595,0.43075054,-0.680787237,0.412535667,0,0,0,11.97845018,-6.92140965,0.080893912,2.20430017,-3.802884944,2.449875422,0,0,0,33.5,0.25,3.5,-0.5,-8,-12,0,0,0,0.024363991,-0.012799357,-4.41E-05,-3.26E-04,0.001031321,-0.001670788,0,0,0,41.08573552,-0.679906866,-4.347739123,1.690980622,-12.50002546,-10.13035838,0,0,0,43.47398852,-13.98847081,-5.202442911,6.958386022,-17.14679572,6.820102497,0,0,0,0.15626281,-0.008020628,0.010130872,-0.018205563,-0.02989578,-0.069565537,0,0,0,0.188888862,-0.110901512,-0.005773287,0.030767896,-0.075643026,0.068755945,0,0,0,1.088950016,-0.692140965,0.005055869,0.157450012,-0.422542772,0.40831257,0,0,0,3.045454545,0.025,0.21875,-0.035714286,-0.888888889,-2,0,0,0,-0.525339099,-0.00181001,-0.013368531,0.042329709,-0.068576131,0,0,0,-0.01654849,-0.105821134,0.041157365,-0.304242465,-0.246566314,0,0,0,-0.321766447,-0.119667946,0.160058607,-0.394415058,0.156877773,0,0,0,-0.051327812,0.064832265,-0.116506053,-0.191317305,-0.44518294,0,0,0,-0.587125733,-0.030564466,0.162888883,-0.400463138,0.364002111,0,0,0,-0.635603981,0.004642885,0.144588833,-0.388027701,0.374959883,0,0,0,0.008208955,0.071828358,-0.011727079,-0.291873964,-0.656716418,0,0,0,1.422004593,0.928222569,0.838661501,0.954497355,0.932775959,0,0,0,0.856422525,1.051124124,0.83235228,1.167340119,1.243132629,0,0,0,1.520355833,0.97620729,0.717082541,1.28005586,0.436244454,0,0,0,0.76086504,0.99163143,0.889099888,1.026183668,1.640365881,0,0,0,1.997041977,0.881150232,0.657904159,1.287615959,0.021995778,0,0,0,2.065310227,0.858184013,0.654773367,1.272071664,8.02E-05,0,0,0,0.537313433,0.673973881,0.546375267,1.674958541,2.686567164,0,0,0,11.73234806,6.116174032,9.984896923,12.03234806,2.406469613,6.12238366,0.5,0.146247601,0.02924952,-0.961227098,14.7503789,2.950075781,1.345634385,11.74144371,6.119987436,9.991736201,12.04056241,2.408112482,6.126170432,0.498531158,0.146050395,0.029210079,-0.961901773,14.75429709,2.950859418,1.345767184,19.81876006,9.510385553,16.22137667,19.33996669,3.867993338,9.510537475,-0.797988956,0.050938356,0.010187671,-1.488569545,25.83205647,5.166411294,1.62580811,11.75098985,6.123989725,9.998915006,12.04918361,2.409836722,6.130144895,0.4969896,0.145843796,0.029168759,-0.962609559,14.75842874,2.951685747,1.34590718,28.38492036,13.11016591,22.94417996,27.08616724,5.417233448,13.1101694,-2.164588529,0.015775577,0.003155115,-2.074646159,27.85026337,5.570052674,1.663421212,12.68527407,6.51577122,10.70508757,12.89303509,2.578607018,6.519736696,0.346268372,0.127344691,0.025468938,-1.030428884,15.25139346,3.050278692,1.362335437,9.803415862,5.187246814,8.382972459,10.03516189,2.007032379,5.207541313,1.158730159,0.288140053,0.057628011,-0.622154311,13.82468068,2.764936135,1.313227725,0,11.98884382,16.00602341,-0.344469198,0.32257716,2.884879456,5.043256605,4,10,9,9,3,1,1,0,0,1,9.433242,3.360015655,2.885254517,1.90861313,0.989656009,0.401928878,0.083923071,0.083923071,0.083923071,1.659643377,1.161615331,0.808382322,0.083923071,0.083923071,0.083923071,0.401928878,0.989656009,3.211185248,2.78729757,1.862326986,0.608554846,0.375216508,0.270913902,0.270913902,0.270913902,1.644050761,1.250627388,0.707563095,0.270913902,0.270913902,0.270913902,0.375216508,0.608554846,3.464729015,3.057099653,2.255557025,1.230834187,1.030423164,0.943918427,0.943918427,0.943918427,1.36622523,0.923959868,0.2553771,0.943918427,0.943918427,0.943918427,1.030423164,1.230834187,3.194179308,2.753729913,1.8975216,0.460348196,0.417568988,0.399277246,0.399277246,0.399277246,1.649110751,1.272269255,0.643657221,0.399277246,0.399277246,0.399277246,0.417568988,0.460348196,3.487884911,3.091925404,2.382316041,1.20895283,1.208035068,1.207644823,1.207644823,1.207644823,1.320055456,0.898800713,0.118551471,1.207644823,1.207644823,1.207644823,1.208035068,1.20895283,4.619467929,3.284296746,2.467092571,1.634164694,0.996947921,0.545454545,0.545454545,0.545454545,1.469424421,0.710069255,0.458839821,0.545454545,0.545454545,0.545454545,0.996947921,1.634164694,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.121320344,2.414213562,1.353553391,0.707106781,0.353553391,0,0,0,0.824264069,0.603553391,0.451184464,0.353553391,0.353553391,0,0,0,3.100953631,1.467186437,0.551566846,0.234708048,0.068041382,0,0,0,0.620190726,0.366796609,0.183855615,0.117354024,0.068041382,0,0,0,6.05508162,11.32483613,10.8745098,11.08,6.356142515,85.39380719,0.550461965,1.029530557,0.9885918,1.007272727,0.577831138,7.763073381,0.1793,17.69,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,24,0,0,2,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,2,0,0,1,0,0,0,0,0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.33541667,0.430555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844097222,0,0,0.932638889,0,0,0.844097222,0,0,0,0,0,0,0,0,1.758333333,0,0.475694444,0,0.430555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.182638889,4.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.152777778,0.430555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844097222,0,0,0.376736111,0,0,0.844097222,0,0,0,0,0,0,0,0,1.758333333,0,0.475694444,0,0.430555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.182638889,4.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.182638889,0.430555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844097222,0,0,0.555902778,0,0,0.844097222,0,0,0,0,0,0,0,0,1.758333333,0,0.475694444,0,0.430555556,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,9.182638889,4.152777778,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,16,3.2,0.844097222,9.182638889,0.376736111,0.430555556,1.109440278,1.569444444,2.182638889,5.670833333,1.569444444,2.182638889,5.670833333,2.16666,0.43333,0,0.06667,0.62121,1.00667,0.41765,0.62121,1.00667,0.20357,0,-0.20357,0,0.43046,0.28383,0,0.38462,0,0,4.25,0.85,2.75,0.55,1.5,0.3,-1.25,-0.25,0,0,2.04916,0.40983,4.09272,2.04356,0.40871,1.28018,0.25604,2.41421,1.13403,0.22681,-2.10E-04,-4.00E-05,-2.10E-04,-4.00E-05,0,4.02,2,2,2,2,0,0,0.666666667,1.435371391,2.404009757,2.845350937,2.845350937,2.21636337,1.140206417,15.7890853,26.44410733,31.2988603,31.2988603,24.37999707,12.54227059,0.414915382,0.694914663,0.822490874,0.822490874,0.640672692,0.32959357,2.024060228,1.055421861,0.614080682,0.614080682,1.243068249,2.319225201,0.414915382,0.694914663,0.822490874,0.822490874,0.640672692,0.32959357,13.7677779,22.22042631,22.665221,22.665221,13.86099438,5.862475077,19.2185484,13.5925177,13.43527774,13.43527774,9.032364775,4.364100603,5,4,4,5,3,2,1.57,0.6057,0,1.154700538,0,0,0.5,0,0,0,0,0,0,0.5,0,0,0,0,0,0,0,0.003,0.428,0.418,0.582,0.072,1.884,3,2,1,0,0,0,0,0,0,15,1.791759469,1.609437912,1.386294361,1.098612289,0,0,0,0,0,0,2.995732274,1.266666667,0.5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0.5,3,0.75,0,2,4,1,0.5,0.222222222,0.125,0,0,0,0,0,0,0,0.125,0.074074074,0.0625,0,0,0,0,0,0,0,0.261574074,8.288215752,13.52428373,16.5764315,3.315286301,8.288774052,2.22E-16,4.44E-17,-18.02182669,2000004.229,400000.8459,7.254329927,26.3,75.38840728,3.321928095,2.708050201,3.218875825,3.761200116,4.290459441,4.844187086,5.379897354,5.937536205,6.475432717,7.03438793,52.65002687,2.197224577,0,3.044522438,0,4.043051268,0,5.105945474,0,6.192362489,6.609349243,74.03677943,6.730616312,8.849873734,1.769974747,5.069543648,5.069543648,0,20,2,0.428,14,1.2149,2.073835806,2.791103301,3.615141626,4.683049858,0,0,0,0,0,105.9228819,101.1476057,100.6797087,132.9360923,42.41261291,0,0,0,0,0,260.640344,268.1470616,327.6061153,440.4030184,272.4769301,0,0,0,0,0,9.86295264,17.14330653,21.64811396,28.9123469,38.32225806,0,0,0,0,0,1.697145792,1.909759585,2.462417575,3.323255777,2.306798346,0,0,0,0,0,182.1059639,349.3549375,477.060865,596.2050496,866.6429758,0,0,0,0,0,5.04505,8.704602215,7.818788028,16.86534202,19.6342168,0,0,0,0,0,0.43544475,0.52107961,0.629302513,0.889577738,0.734710888,0,0,0,0,0,194.3708284,122.3637882,15.14409105,106.3096792,-66.92596404,-23.57465867,88.06114919,189.2897523,38.71874972,0.646436412,0.406956172,0.050366055,0.353563588,-0.222581652,-0.078404346,58.44351931,36.79240595,4.553532982,31.96524828,-20.12333283,-7.088440334,0.394171817,0.506022106,11.2805166,11.98989799,193.1757796,107.5047279,0.642461931,0.357538069,398.5825952,19.96453343,7.359349758,456.7048117,21.37065305,7.700965819,550.3960226,23.46052051,8.195178717,1.920448293,1.920448293,216.4133568,204.37529,18.73814835,1.058901772,11.5493459,10.90690959,2.823596658,3.096569067,5.24966505,0.695316634,1.686629378,1.404000071,3.370021215,2.73818416,2.716285726,1.3633049,0.423900537,2.646003722,0.003926099,0.003796744,7.08E-25,2.55E-68,1.77E-133,2.37E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.158054637,1.555109913,0.358061345,0.391556347,0.10157503,1.126357022,0.035529238,0.759346299,4.39E-04,4.24E-04,7.92E-26,2.85E-69,1.98E-134,2.64E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.462802197,1.274017501,0.659941414,0.759610186,0.294011504,0.969868292,0.114722136,0.607991843,7.60E-04,7.35E-04,1.37E-25,4.93E-69,3.42E-134,4.58E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.597155652,1.554579655,4.053931416,2.637660475,2.707493394,1.534543773,0.40009745,2.865265807,0.004931328,0.004768851,8.89E-25,3.20E-68,2.22E-133,2.97E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.674503544,1.167203135,0.714905315,1.046295724,0.458480445,0.907529697,0.169109477,0.606803378,7.53E-04,7.28E-04,1.36E-25,4.89E-69,3.39E-134,4.54E-221,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.036872267,1.499406149,4.831744399,3.369780766,3.963102509,1.580346877,0.512072396,3.736907115,0.005734095,0.005545177,1.03E-24,3.72E-68,2.58E-133,3.46E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.967832799,1.596219442,4.227905079,1.73888637,1.393591301,2.428299739,0.252067964,4.122574491,0.008176731,0.007907267,1.47E-24,5.31E-68,3.68E-133,4.93E-220,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.862592702,0.560024601,0.302184559,0.768522141,0.150350172,0.5565497,0.50728325,0.363622336,3.724801862,2.637384437,6.846625115,0.652783211,1.427455285,3.362159057,0.24397619,0.045230394,0.920794954,0.066817792,0.768714844,0.052738365,0.008146419,3.651365642,0.983393677,4.671861213,0.881192431,0.829599629,2.871823073,0.379300047,0.148722352,0.844692236,0.111563908,0.550015251,0.184966465,0.088076186,3.399845473,1.572797304,5.134643451,0.767038354,0.823057902,2.968896717,0.55655532,0.277055957,0.780773301,0.146365326,0.591449812,0.46006006,0.305661682,3.802507994,2.629102751,6.889405614,0.671159951,1.357171553,2.704158443,0.425725098,0.208807402,0.809945721,0.127512581,0.493237463,0.282215551,0.173619216,3.338690943,1.804770968,5.383846863,0.714918582,0.94907223,2.897970508,0.583714242,0.316964987,0.762894899,0.153663613,0.57052144,0.551632411,0.400063193,3.798649737,2.795158821,7.129982303,0.644342349,1.522217045,3.034101692,0.558817218,0.281812566,0.783048247,0.144220889,0.617958124,0.465886877,0.316247225,3.874731477,2.708037966,7.060584978,0.674572371,1.400092226 +UMLYSI0420,L,"1,2-ethanediol",C(CO)O,other multi-oxygen compounds,C2H6O2,107-21-1,174,PubChem,,8.2,0,-0.8974,0.80532676,14.5536,9.124758,0,0,10,4,6,0,2,0,2,0,0,0,0,0,0,0,806.560628,609.274435,523.510602,352.818657,36.31824,1.016064,0,0,0,1466.317824,1651.949633,1684.100714,1022.588488,288.362239,31.08374443,0,0,0,82.095248,75.021148,114.09516,119.219364,45.816192,6.718464,0,0,0,9.531885429,10.99129321,12.38824361,8.566267803,2.847987591,0.444612905,0,0,0,1733.997196,1416.339757,2335.994354,2711.774704,1110.039161,184.917652,0,0,0,82.5,38.25,53,71,16,1,0,0,0,80.6560628,67.69715944,37.39361443,23.5212438,6.05304,1.016064,0,0,0,146.6317824,183.5499592,120.2929081,68.17256584,48.06037316,31.08374443,0,0,0,8.2095248,8.335683111,8.149654286,7.9479576,7.636032,6.718464,0,0,0,0.953188543,1.221254801,0.884874544,0.57108452,0.474664599,0.444612905,0,0,0,173.3997196,157.3710841,166.8567396,180.7849803,185.0065269,184.917652,0,0,0,8.25,4.25,3.785714286,4.733333333,2.666666667,1,0,0,0,0.420116365,-0.19755795,-0.093986339,0.15352839,-0.116071843,0.04402956,0,0,0,421.3169656,-75.15436644,-216.9531898,48.126845,6.29470704,27.02752144,0,0,0,384.0690781,-46.88721385,-243.6785966,23.57918694,51.64405756,23.3080269,0,0,0,1.7116576,-0.44960784,-0.69414944,0.3904616,-0.16167936,0.05914624,0,0,0,1.531015861,-0.206180444,-1.014976058,0.154340987,0.249468128,0.051839457,0,0,0,8.784350572,-1.326898267,-5.700505304,1.111873899,1.308330018,0.215024367,0,0,0,38.4,-10.26,-15.46,9.05,-3.74,1.21,0,0,0,0.042011637,-0.021950883,-0.00671331,0.010235226,-0.019345307,0.04402956,0,0,0,42.13169656,-8.35048516,-15.49665642,3.208456333,1.04911784,27.02752144,0,0,0,38.40690781,-5.209690427,-17.40561404,1.571945796,8.607342927,23.3080269,0,0,0,0.17116576,-0.049956427,-0.049582103,0.026030773,-0.02694656,0.05914624,0,0,0,0.153101586,-0.022908938,-0.07249829,0.010289399,0.041578021,0.051839457,0,0,0,0.878435057,-0.147433141,-0.40717895,0.074124927,0.218055003,0.215024367,0,0,0,3.84,-1.14,-1.104285714,0.603333333,-0.623333333,1.21,0,0,0,-0.522495318,-0.15979644,0.243628358,-0.460474974,1.048032496,0,0,0,-0.198199594,-0.367814678,0.07615303,0.024900916,0.641500904,0,0,0,-0.13564462,-0.453189674,0.040928726,0.22410924,0.606870697,0,0,0,-0.29185993,-0.289673021,0.152079326,-0.157429617,0.345549484,0,0,0,-0.149632272,-0.473530626,0.067206352,0.27157146,0.338595169,0,0,0,-0.16783613,-0.463527664,0.084382933,0.248231217,0.244781177,0,0,0,-0.296875,-0.287574405,0.157118056,-0.162326389,0.315104167,0,0,0,1.370416898,0.980173384,0.677749861,1.462928772,0,0,0,0,1.14585047,1.26424345,0.812489718,0.800098617,0,0,0,0,1.479293164,1.467468329,0.612424102,0.325907232,0,0,0,0,1.168306091,1.183551964,0.799016345,0.988378751,0,0,0,0,1.818762021,1.599466889,0.408742787,0.017910591,0,0,0,0,1.877565648,1.607114723,0.373460611,6.56E-05,0,0,0,0,1.19140625,1.188616071,0.78515625,0.9765625,0,0,0,0,8.547405025,4.523702513,7.327950154,8.797405025,2.199351256,4.546888819,0.5,5.55E-16,1.39E-16,-14.05094506,7.261023312,1.815255828,0.793008308,8.552623669,4.525577413,7.33151092,8.801889248,2.200472312,4.54871064,0.498531158,4.44E-16,1.11E-16,-14.14020248,7.26418471,1.816046177,0.793182428,13.16278879,6.182399916,10.66640901,12.76379431,3.190948578,6.185842354,-0.797988956,2.22E-16,5.55E-17,-14.41746136,10.6186401,2.654660024,0.945044383,8.55810068,4.52754514,7.335248765,8.80659548,2.20164887,4.550622798,0.4969896,1.11E-16,2.78E-17,-14.69472023,7.267505266,1.816876316,0.793365231,18.02614235,7.930776911,14.3617875,16.94384809,4.235962022,7.931316672,-2.164588529,1.11E-16,2.78E-17,-14.69472023,14.51204265,3.628010663,1.069991533,9.093671905,4.719970138,7.704472298,9.266806091,2.316701523,4.738246826,0.346268372,4.44E-16,1.11E-16,-14.14020248,7.604444257,1.901111064,0.811493139,5.265564437,3.25,5.132782219,5.75,1.4375,3.370205639,1.5,3.33E-16,8.33E-17,-14.25527531,5.90196182,1.475490455,0.710113923,0,11.99668798,15.99825726,-0.418353059,0.091755092,3.431221072,4.585939986,3,9,9,9,3,0,0,0,0,0,6.559242,3.253607726,2.408304218,1.507476111,1.110816863,0.083923071,0.083923071,0.371166345,0.411347583,1.607898383,0.890042378,0.411347583,0.371166345,0.083923071,0.083923071,1.110816863,1.507476111,3.165803732,2.156963035,1.303500804,1.112369005,0.270913902,0.270913902,0.289317273,0.397098459,1.615606672,0.923360355,0.397098459,0.289317273,0.270913902,0.270913902,1.112369005,1.303500804,3.409102176,2.623737221,1.907398879,1.686171389,0.943918427,0.943918427,0.330259864,0.238473331,1.329882305,0.428261282,0.238473331,0.330259864,0.943918427,0.943918427,1.686171389,1.907398879,3.15724527,2.115462415,1.280490541,1.150384641,0.399277246,0.399277246,0.212014871,0.370341682,1.616711361,0.946926928,0.370341682,0.212014871,0.399277246,0.399277246,1.150384641,1.280490541,3.449508397,2.666584133,2.023411326,1.867213266,1.207644823,1.207644823,0.508665587,0.372790137,1.281911817,0.356909591,0.372790137,0.508665587,1.207644823,1.207644823,1.867213266,2.023411326,4.701258993,4.510738669,2.553780078,1.677217481,0.666666667,0.666666667,0.40122108,0.398484264,1.253107081,0.322926817,0.398484264,0.40122108,0.666666667,0.666666667,1.677217481,2.553780078,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.414213562,1.914213562,1,0.5,0,0,0,0,0.853553391,0.638071187,0.5,0.5,0,0,0,0,2.308640753,1.132455532,0.447213595,0.1,0,0,0,0,0.577160188,0.377485177,0.223606798,0.1,0,0,0,0,5.05508162,10.32483613,9.874509804,10.08,5.356142515,78.65111257,0.505508162,1.032483613,0.98745098,1.008,0.535614251,7.865111257,-1.029,14.1716,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,2.22E-16,5.55E-17,-14.41746136,8.45234659,2.113086648,0.853777642,14,2,0,2,0,0,2,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.677777778,0,15.25,0,0,12.79305556,0,0,0,0,0,0,0,1.677777778,0,0,0,0,0,0,0,0,0,0,0,0,0,1.122222222,0,0,0,0,0,0,0,0,0,0,0,0,0,-0.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.25,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.838888889,0,7.625,0,0,6.396527778,0,0,0,0,0,0,0,0.838888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561111111,0,0,0,0,0,0,0,0,0,0,0,0,0,-0.125,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.838888889,0,7.625,0,0,6.396527778,0,0,0,0,0,0,0,0.838888889,0,0,0,0,0,0,0,0,0,0,0,0,0,0.561111111,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7.625,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15,3.75,0.838888889,7.625,0.561111111,-0.125,-0.1205,1.625,1.625,6.5,1.625,1.625,6.5,1.66666,0.41667,0,0.08333,0.61333,1.08334,0.41429,0.61333,0.82222,0.19905,0,-0.19905,0.26111,0.38461,0.32968,0,0.4,0,0,2,0.5,2,0.5,0,0,-2,-0.5,0,0,1.81305,0.45326,2.95465,1.1416,0.2854,1.24327,0.31082,1.91421,0.67094,0.16774,-2.10E-04,-5.00E-05,-2.10E-04,-5.00E-05,0,3.02,2,2,2,2,2,2,1,1.370950594,1.921928095,1.921928095,1.921928095,1.457542476,0.464385619,13.70950594,19.21928095,19.21928095,19.21928095,14.57542476,4.64385619,0.412697252,0.578558006,0.578558006,0.578558006,0.438764005,0.139794001,1.9509775,1.4,1.4,1.4,1.864385619,2.857542476,0.43248676,0.60630081,0.60630081,0.60630081,0.459803458,0.146497352,13.44607518,14.0013641,14.0013641,14.0013641,8.428736667,0.468019451,15.65587347,16.04665352,16.04665352,16.04665352,10.47402609,0.928771238,4,3,4,4,0,2,1.46,0.5078,0,0,0,0,1,0,0,0,0,0,0.333333333,0,0,0,0,0,0,0,0,0.604,0.685,0.668,0.756,0.356,2.5,2,1,0,0,0,0,0,0,0,10,1.386294361,1.098612289,0.693147181,0,0,0,0,0,0,0,2.397895273,1,0.333333333,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0.333333333,3,1,0,2,3,0.5,0.5,0.222222222,0,0,0,0,0,0,0,0,0.166666667,0.111111111,0,0,0,0,0,0,0,0,0.277777778,5.16227766,8.576491223,10.32455532,2.58113883,5.17311654,2.22E-16,5.55E-17,-14.41746136,8.45234659,2.113086648,0.853777642,40.46,60.72888135,3,2.397895273,2.833213344,3.295836866,3.761200116,4.234106505,4.709530201,5.187385806,5.666426688,6.146329258,45.23192406,1.945910149,0,2.708050201,0,3.610917913,0,4.553876892,0,5.509388337,5.993961427,62.03677943,6.203677943,6.871320344,1.717830086,4.621320344,4.621320344,0,10,1,-1.208,10,1.184777778,2.081864595,2.709435137,2.735703268,3.872249559,0,0,0,0,0,93.64734335,85.37877686,77.45555312,20.93019433,3.934453376,0,0,0,0,0,239.9100957,261.3954243,189.3075695,146.2105145,120.3640157,0,0,0,0,0,9.905621642,17.07330522,21.85282377,21.68614409,26.01556926,0,0,0,0,0,1.55200069,1.882344232,1.514663231,1.324619072,1.721652125,0,0,0,0,0,183.7412508,345.8530237,491.8887416,506.2000821,716.0472965,0,0,0,0,0,5.18275,8.152095325,14.73521465,8.74147099,3.872249559,0,0,0,0,0,0.406325633,0.524255005,0.464081099,0.403134138,0.396518355,0,0,0,0,0,207.155736,162.9838505,19.04675866,103.0365323,-81.06601876,-40.53300938,104.1192037,244.0498693,59.57976804,0.667830108,0.525428475,0.061403074,0.332169892,-0.261341197,-0.130670599,64.25810765,50.55633029,5.908157272,31.96113568,-25.14605224,-12.57302612,0.26670095,0.5,5.793771813,27.75265361,164.4823049,145.7099634,0.530259203,0.469740797,257.4413669,16.04497949,6.361498722,332.2513754,18.22776386,6.926102735,346.4688602,18.61367401,7.023518583,1.641770575,1.641770575,129.9534273,118.1749085,18.43698496,1.099670217,7.048518376,6.409665613,2.579065838,2.359935319,3.872249559,0.640828682,2.544277033,1.714039321,4.483412708,2.661333971,0.422813797,1.291916055,0.195534987,7.69E-18,5.83E-56,8.52E-116,2.40E-197,1.31E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.253333643,1.968116451,0.460901299,0.424830144,0.002981663,1.152199219,0.001377218,5.41E-20,4.10E-58,6.00E-118,1.69E-199,9.21E-303,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.578893719,1.49564542,0.950359022,0.414318138,0.031036447,0.442511405,0.014351202,5.64E-19,4.28E-57,6.26E-117,1.76E-198,9.60E-302,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.847506106,1.967145716,5.238194365,2.611221668,0.376732553,1.93464873,0.17421827,6.85E-18,5.19E-56,7.59E-116,2.14E-197,1.17E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.719381192,1.316102226,1.101274288,0.525171942,0.067407113,0.271292137,0.031172651,1.23E-18,9.29E-57,1.36E-116,3.83E-198,2.08E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3.433843379,1.874358687,6.250714254,3.811550206,0.616634261,1.888131318,0.285169403,1.12E-17,8.50E-56,1.24E-115,3.51E-197,1.91E-300,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,4.553534583,4.010430973,9.445039083,2.890948239,0.187996821,11.5274763,0.086905252,3.42E-18,2.59E-56,3.79E-116,1.07E-197,5.81E-301,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.335924626,0.813296194,0.3303384,0.538775043,0.328000311,0.438515873,0.630213781,0.4,2.47955922,1.796472581,4.63494527,0.308162565,1.468729654,1.850858045,0.243533133,0.053647791,0.861650125,0.113374634,0.980318841,0.058150468,0.010549832,2.148038968,0.563104717,2.735325173,0.792475187,1.049019141,1.347571135,0.531317202,0.177036241,0.655457476,0.258432244,0.520746057,0.276714658,0.114885767,2.055924578,1.048619054,3.231299408,0.483186214,0.912346482,1.459843291,0.750117203,0.302002375,0.581156397,0.29861795,0.539070857,0.543730505,0.334320175,2.511962869,1.762466883,4.605138529,0.371734596,1.417121537,1.14369759,0.684893035,0.246252982,0.551221107,0.330093812,0.365447884,0.460797481,0.222282291,2.074843606,1.233606407,3.501342563,0.326831661,1.048527656,1.377647456,0.827755642,0.342000629,0.540804523,0.324940893,0.462093303,0.649098659,0.428741654,2.547403726,1.8946047,4.832010708,0.311206784,1.539933616,1.471291499,0.747882688,0.301499333,0.58368983,0.296699546,0.547746299,0.540569135,0.333207357,2.520673521,1.76943298,4.62186233,0.375534745,1.421522791 +UMLYSI0421,L,methanol,CO,saturated alcohols,CH4O,67-56-1,887,PubChem,,6.6,0,-0.358,0.128164,8.2613,5.229172,0,0,6,2,4,0,1,0,1,0,0,0,0,0,0,0,404.296378,244.612245,63.536256,3.048192,0,0,0,0,0,764.2426564,728.9529818,454.0287415,93.25123329,0,0,0,0,0,47.766088,40.857948,55.686528,20.155392,0,0,0,0,0,5.210555619,5.214740916,4.051686983,1.333838715,0,0,0,0,0,1051.91625,797.8952482,1263.428334,554.7529561,0,0,0,0,0,44,24,23,3,0,0,0,0,0,67.38272967,48.922449,9.076608,1.016064,0,0,0,0,0,127.3737761,145.7905964,64.86124879,31.08374443,0,0,0,0,0,7.961014667,8.1715896,7.955218286,6.718464,0,0,0,0,0,0.868425937,1.042948183,0.578812426,0.444612905,0,0,0,0,0,175.319375,159.5790496,180.489762,184.917652,0,0,0,0,0,7.333333333,4.8,3.285714286,1,0,0,0,0,0,0.212264811,-0.091355781,-0.047677616,0.032900991,0,0,0,0,0,233.1814173,-61.77513911,-111.1229059,56.30733633,0,0,0,0,0,211.4578948,-96.9700467,-57.31729009,48.55838938,0,0,0,0,0,0.905117333,-0.186389778,-0.389390222,0.123221333,0,0,0,0,0,0.808707478,-0.497045051,-0.015307557,0.10799887,0,0,0,0,0,4.571362259,-2.898124217,0.164475656,0.447967432,0,0,0,0,0,20,-4,-9,3,0,0,0,0,0,0.035377469,-0.018271156,-0.006811088,0.010966997,0,0,0,0,0,38.86356956,-12.35502782,-15.87470084,18.76911211,0,0,0,0,0,35.24298247,-19.39400934,-8.188184299,16.18612979,0,0,0,0,0,0.150852889,-0.037277956,-0.055627175,0.041073778,0,0,0,0,0,0.13478458,-0.09940901,-0.002186794,0.035999623,0,0,0,0,0,0.76189371,-0.579624843,0.023496522,0.149322477,0,0,0,0,0,3.333333333,-0.8,-1.285714286,1,0,0,0,0,0,-0.516463074,-0.192526156,0.309999488,0,0,0,0,0,-0.317907695,-0.408472537,0.482948744,0,0,0,0,0,-0.550294214,-0.232335169,0.459272419,0,0,0,0,0,-0.247114628,-0.368751139,0.272277038,0,0,0,0,0,-0.737539936,-0.016224363,0.267090073,0,0,0,0,0,-0.760768643,0.030839633,0.195988594,0,0,0,0,0,-0.24,-0.385714286,0.3,0,0,0,0,0,1.312730146,1.080870425,0.290085433,0,0,0,0,0,1.294769238,1.218021973,0,0,0,0,0,0,1.875735535,0.803046046,0,0,0,0,0,0,1.117786571,1.344438164,0,0,0,0,0,0,2.34384984,0.468678686,0,0,0,0,0,0,2.401921607,0.427198852,0,0,0,0,0,0,1.1,1.357142857,0,0,0,0,0,0,1.520690633,0.885345316,1.520690633,1.520690633,0.760345316,1.374619918,0.25,0.116645086,0.058322543,-0.429723881,1.423933815,0.711966908,0.070684667,1.522019058,0.885642318,1.522019058,1.522019058,0.761009529,1.374663895,0.249265579,0.116197865,0.058098933,-0.430492162,1.42385866,0.71192933,0.07067411,2.82629418,1.213649851,2.82629418,2.82629418,1.41314709,1.518441839,-0.398994478,0.100074773,0.050037387,-0.460367528,1.421348848,0.710674424,0.070321263,1.523413905,0.885954353,1.523413905,1.523413905,0.761706953,1.374710416,0.2484948,0.11572933,0.057864665,-0.431300235,1.423780245,0.711890122,0.070663096,4.302924411,1.610315073,4.302924411,4.302924411,2.151462206,1.803703154,-1.082294264,0.179302178,0.089651089,-0.343736551,1.437509777,0.718754888,0.072582459,1.662769901,0.917952044,1.662769901,1.662769901,0.831384951,1.381024879,0.173134186,0.073727015,0.036863508,-0.521477199,1.418072904,0.709036452,0.069859768,0.942809042,0.804737854,0.942809042,0.942809042,0.471404521,1.412728607,0.666666667,0.5411961,0.27059805,-0.122794718,1.681792831,0.840896415,0.103972077,0,11.99697344,15.99794118,-0.425376469,0.058873558,2.666419116,3.111580884,1,5,5,5,1,0,0,0,0,0,4.372828,2.895253422,1.467222867,0.083923071,0.083923071,0.422129468,1.440471707,0,0,1.440471707,0.422129468,0.083923071,0.083923071,1.467222867,2.895253422,0,0,2.78828793,1.301659972,0.270913902,0.270913902,0.412515058,1.420805936,0,0,1.420805936,0.412515058,0.270913902,0.270913902,1.301659972,2.78828793,0,0,3.124589437,1.910087997,0.943918427,0.943918427,0.227544262,1.043722059,0,0,1.043722059,0.227544262,0.943918427,0.943918427,1.910087997,3.124589437,0,0,2.786516176,1.285682826,0.399277246,0.399277246,0.385003765,1.408401225,0,0,1.408401225,0.385003765,0.399277246,0.399277246,1.285682826,2.786516176,0,0,3.190334858,2.034113601,1.207644823,1.207644823,0.364834772,0.964607512,0,0,0.964607512,0.364834772,1.207644823,1.207644823,2.034113601,3.190334858,0,0,3.822102613,2.143230483,0.5,0.5,0.162376365,1.127709461,0,0,1.127709461,0.162376365,0.5,0.5,2.143230483,3.822102613,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,1,0,0,0,0,0,0,1,1,0,0,0,0,0,0,1.447213595,0.447213595,0,0,0,0,0,0,0.723606798,0.447213595,0,0,0,0,0,0,2.798454712,6.106336489,5.8,5.92,3.077348503,47.46833653,0.466409119,1.017722748,0.966666667,0.986666667,0.512891417,7.911389421,-0.3915,8.1428,1,2,2,1,1.407605964,0,0,0,1.414213562,0.707106781,0.069314718,2,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.95,0,7,0,0,0,0,0,0,0,0,0,0,0.95,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.95,0,7,0,0,0,0,0,0,0,0,0,0,0.95,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.95,0,7,0,0,0,0,0,0,0,0,0,0,0.95,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,7,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,8,4,0.95,7,0.45,1,0.432,1,1,2,1,1,2,0.83333,0.41667,0,0.08334,0.56111,1.08334,0.4,0.56111,0.82222,0.16111,0,-0.16111,0.26111,0.38461,0.32968,0,1,0,0,0.75,0.375,0.75,0.375,0,0,-0.75,-0.375,0,0,0.54433,0.27216,1,0.45567,0.22784,0.54433,0.27216,1,0.45567,0.22784,0,0,0,0,0,1.01,1,1,1,1,1,1,1,1.251629167,1.79248125,1.79248125,0.930827083,0,0,7.509775004,10.7548875,10.7548875,5.584962501,0,0,0.484196257,0.693426404,0.693426404,0.36009307,0,0,1.333333333,0.79248125,0.79248125,1.654135417,2.584962501,2.584962501,0.539047342,0.771979655,0.771979655,0.400885404,0,0,12.45399398,12.99907825,12.99907825,0.938110835,0,0,7.59147917,7.962406252,7.962406252,1.930827083,0,0,2,0,0,1,0,0,1.46,0.3082,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.348,0.385,0.375,0.449,0.205,1.123,0,0,0,0,0,0,0,0,0,3,0.693147181,0,0,0,0,0,0,0,0,0,1.386294361,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,2,2,1,1.407605964,0,0,0,1.414213562,0.707106781,0.069314718,20.23,34.64267003,2,1.098612289,1.098612289,1.098612289,1.098612289,1.098612289,1.098612289,1.098612289,1.098612289,1.098612289,12.8875106,1.098612289,0,1.098612289,0,1.098612289,0,1.098612289,0,1.098612289,2.564949357,32.02621475,5.337702458,3,1.5,2,2,0,1,0,-0.499,2,1.1366,1.935542304,2.458364266,0,0,0,0,0,0,0,65.00622117,18.26778853,2.497855429,0,0,0,0,0,0,0,176.9578328,127.8001557,76.41516655,0,0,0,0,0,0,0,9.351023774,15.52859921,16.51643182,0,0,0,0,0,0,0,1.219926115,1.123193053,1.093020477,0,0,0,0,0,0,0,180.1414244,349.4267527,454.5949478,0,0,0,0,0,0,0,5.8308,6.596882011,2.458364266,0,0,0,0,0,0,0,0.33344832,0.325796136,0.251736501,0,0,0,0,0,0,0,261.5449188,104.3425331,17.3715687,82.61718636,-32.95986992,-32.95986992,178.9277324,137.302403,50.33143862,0.759946882,0.303178449,0.050474961,0.240053118,-0.095768446,-0.095768446,90.01384984,35.91074584,5.978635654,28.43370478,-11.34353822,-11.34353822,0.524707104,1,17.43460902,82.61718636,228.3176023,115.8445029,0.663401342,0.336598658,97.6798989,9.883314166,4.605411069,144.7719392,12.03212114,5.250832088,97.6798989,9.883314166,4.605411069,1.24880221,1.24880221,20.56735502,19.8374098,4.100793719,1.036796398,5.01545711,4.83745615,1.526238185,1.920479602,2.658420877,0.384248431,1.55103907,0.382801071,3.803393005,0.162582422,1.71E-05,3.48E-31,1.37E-78,1.03E-147,1.51E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.150073012,0.509820955,0.318973065,0.001145082,1.21E-07,2.45E-33,9.62E-81,7.27E-150,1.06E-240,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.365004897,0.273586727,0.672649686,0.01193263,1.26E-06,2.56E-32,1.00E-79,7.58E-149,1.10E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.687012425,0.509352231,4.292833729,0.144858012,1.53E-05,3.10E-31,1.22E-78,9.20E-148,1.34E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.471049241,0.183816763,0.811358085,0.025919267,2.73E-06,5.55E-32,2.18E-79,1.65E-148,2.40E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2.053734499,0.462969311,5.418696998,0.237111183,2.50E-05,5.08E-31,1.99E-78,1.51E-147,2.20E-238,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1.489857088,1.148234846,4.08306532,0.04064561,4.28E-06,8.71E-32,3.41E-79,2.58E-148,3.76E-239,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0.844851144,0.299652649,0.278723025,0.593616655,0.21054455,0.552303319,0.326717962,0.333333333,1.423226818,0.572161443,2.065950307,0.390424983,1.212354615,0.709626536,0.091001624,0.052609602,0.831686745,0.106654473,0.585009612,0.033838791,0.011875806,0.853237762,0.106697896,0.963333036,0.747530117,0.630724209,0.672880327,0.210057973,0.161896368,0.644006509,0.201044222,0.387193901,0.194546606,0.112462378,1.044834668,0.284288381,1.352006109,0.466009763,0.694202885,0.839156786,0.296322764,0.258510287,0.601981998,0.212571682,0.557139413,0.341891149,0.286740283,1.393989837,0.542194402,2.000465732,0.402972996,1.185770846,0.706874105,0.241332494,0.216981135,0.606661128,0.207118979,0.390313808,0.219024545,0.202011923,1.165187734,0.376334634,1.578537547,0.409991692,0.811350276,0.865681689,0.308496199,0.286875063,0.592505349,0.211146488,0.579902852,0.346356308,0.353117018,1.461052951,0.603901866,2.141567531,0.388758023,1.279376178,0.837859059,0.29634228,0.261302836,0.600398819,0.212354994,0.552789334,0.337855044,0.29296875,1.395504175,0.544663091,2.005046948,0.400598229,1.183613128 diff --git a/docs/conf.py b/docs/conf.py index 12b1000..7619aef 100644 --- a/docs/conf.py +++ b/docs/conf.py @@ -32,7 +32,7 @@ # The short X.Y version version = '' # The full version, including alpha/beta/rc tags -release = '3.2.1' +release = '3.2.2' # -- General configuration --------------------------------------------------- diff --git a/ecnet/__init__.py b/ecnet/__init__.py index 8c0bfab..cdd21cb 100644 --- a/ecnet/__init__.py +++ b/ecnet/__init__.py @@ -1,2 +1,2 @@ from ecnet.server import Server -__version__ = '3.2.1' +__version__ = '3.2.2' diff --git a/ecnet/models/mlp.py b/ecnet/models/mlp.py index d5c0e6b..6fb1ef8 100644 --- a/ecnet/models/mlp.py +++ b/ecnet/models/mlp.py @@ -2,7 +2,7 @@ # -*- coding: utf-8 -*- # # ecnet/models/mlp.py -# v.3.2.1 +# v.3.2.2 # Developed in 2019 by Travis Kessler # # Contains the "MultilayerPerceptron" (feed-forward neural network) class @@ -77,7 +77,7 @@ def add_layer(self, num_neurons: int, activation: str, def fit(self, l_x: array, l_y: array, v_x: array=None, v_y: array=None, epochs: int=1500, lr: float=0.001, beta_1: float=0.9, beta_2: float=0.999, epsilon: float=0.0000001, decay: float=0.0, - v: int=0): + v: int=0, batch_size: int=32): '''Fits neural network to supplied inputs and targets Args: @@ -95,6 +95,7 @@ def fit(self, l_x: array, l_y: array, v_x: array=None, v_y: array=None, epsilon (float): epsilon value for Adam optimizer decay (float): learning rate decay for Adam optimizer v (int): verbose training, `0` for no printing, `1` for printing + batch_size (int): number of learning samples per batch ''' self._model.compile( @@ -110,7 +111,7 @@ def fit(self, l_x: array, l_y: array, v_x: array=None, v_y: array=None, ) if v_x is not None and v_y is not None: - self._model.fit( + history = self._model.fit( l_x, l_y, validation_data=(v_x, v_y), @@ -122,14 +123,17 @@ def fit(self, l_x: array, l_y: array, v_x: array=None, v_y: array=None, restore_best_weights=True )], epochs=epochs, - verbose=v + verbose=v, + batch_size=batch_size ) + epochs = len(history.history['loss']) else: self._model.fit( l_x, l_y, epochs=epochs, - verbose=v + verbose=v, + batch_size=batch_size ) logger.log('debug', 'Training complete after {} epochs'.format(epochs), diff --git a/ecnet/server.py b/ecnet/server.py index 43f3bc9..a007279 100644 --- a/ecnet/server.py +++ b/ecnet/server.py @@ -2,7 +2,7 @@ # -*- coding: utf-8 -*- # # ecnet/server.py -# v.3.2.1 +# v.3.2.2 # Developed in 2019 by Travis Kessler # # Contains the "Server" class, which handles ECNet project creation, neural @@ -14,15 +14,14 @@ # ECNet imports from ecnet.tasks.limit_inputs import limit_rforest -from ecnet.tasks.remove_outliers import remove_outliers from ecnet.tasks.training import train_project from ecnet.tasks.tuning import tune_hyperparameters from ecnet.utils.data_utils import DataFrame, save_results from ecnet.utils.logging import logger -from ecnet.utils.server_utils import create_project, default_config,\ - get_candidate_path, get_error, get_y, open_config, open_df, open_project,\ - resave_df, resave_model, save_config, save_df, save_project, train_model,\ - use_model, use_project +from ecnet.utils.server_utils import check_config, create_project,\ + default_config, get_candidate_path, get_error, get_y, open_config,\ + open_df, open_project, resave_df, resave_model, save_config, save_df,\ + save_project, train_model, use_model, use_project class Server: @@ -51,6 +50,8 @@ def __init__(self, model_config: str='config.yml', prj_file: str=None, if prj_file is not None: self._prj_name, self._num_pools, self._num_candidates, self._df,\ self._cf_file, self._vars = open_project(prj_file) + check_config(self._vars) + self._sets = self._df.package_sets() logger.log('info', 'Opened project {}'.format(prj_file), call_loc='INIT') return @@ -61,6 +62,7 @@ def __init__(self, model_config: str='config.yml', prj_file: str=None, self._vars = {} try: self._vars.update(open_config(self._cf_file)) + check_config(self._vars) except FileNotFoundError: logger.log('warn', '{} not found, generating default config' .format(model_config), call_loc='INIT') @@ -109,42 +111,31 @@ def create_project(self, project_name: str, num_pools: int=1, logger.log('debug', 'Number of candidates/pool: {}'.format( num_candidates), call_loc='PROJECT') - def remove_outliers(self, leaf_size: int=30, output_filename: str=None): - '''Removes any outliers from the currently-loaded data using - unsupervised outlier detection using local outlier factor - - Args: - leaf_size (int): used by nearest-neighbor algorithm as the number - of points at which to switch to brute force - output_filename (str): if not None, database w/o outliers is saved - here - ''' - - self._df = remove_outliers(self._df, leaf_size, self._num_processes) - self._sets = self._df.package_sets() - if output_filename is not None: - self._df.save(output_filename) - logger.log('info', 'Resulting database saved to {}'.format( - output_filename), call_loc='OUTLIERS') - - def limit_inputs(self, limit_num: int, num_estimators: int=1000, - output_filename: str=None): + def limit_inputs(self, limit_num: int, num_estimators: int=None, + output_filename: str=None, **kwargs) -> list: '''Selects `limit_num` influential input parameters using random forest regression Args: limit_num (int): desired number of inputs - num_estimators (int): number of trees in the RFR algorithm + num_estimators (int): number of trees in the RFR algorithm; + defaults to the total number of inputs output_filename (str): if not None, new limited database is saved here + **kwargs: any argument accepted by + sklearn.ensemble.RandomForestRegressor + + Returns: + list: [(feature, importance), ..., (feature, importance)] ''' - self._df = limit_rforest( + result = limit_rforest( self._df, limit_num, num_estimators, self._num_processes ) + self._df.set_inputs([r[0] for r in result]) self._sets = self._df.package_sets() if output_filename is not None: self._df.save(output_filename) diff --git a/ecnet/tasks/__init__.py b/ecnet/tasks/__init__.py index 497b9a7..111688a 100644 --- a/ecnet/tasks/__init__.py +++ b/ecnet/tasks/__init__.py @@ -1,4 +1,3 @@ import ecnet.tasks.limit_inputs -import ecnet.tasks.remove_outliers import ecnet.tasks.training import ecnet.tasks.tuning diff --git a/ecnet/tasks/limit_inputs.py b/ecnet/tasks/limit_inputs.py index 9c269e3..00ca81b 100644 --- a/ecnet/tasks/limit_inputs.py +++ b/ecnet/tasks/limit_inputs.py @@ -2,27 +2,26 @@ # -*- coding: utf-8 -*- # # ecnet/tasks/limit_inputs.py -# v.3.2.1 +# v.3.2.2 # Developed in 2019 by Travis Kessler # # Contains functions for selecting influential input parameters # +# Stdlib. imports from copy import deepcopy # 3rd party imports -from ditto_lib.itemcollection import ItemCollection -from ditto_lib.tasks.random_forest import random_forest_regressor -from ditto_lib.utils.logging import logger as ditto_logger -from ditto_lib.utils.dataframe import Attribute +from sklearn.ensemble import RandomForestRegressor +from numpy import concatenate, ravel # ECNet imports from ecnet.utils.data_utils import DataFrame from ecnet.utils.logging import logger -def limit_rforest(df: DataFrame, limit_num: int, num_estimators: int=1000, - num_processes: int=1) -> DataFrame: +def limit_rforest(df: DataFrame, limit_num: int, num_estimators: int=None, + num_processes: int=1, **kwargs) -> list: '''Uses random forest regression to select input parameters Args: @@ -30,52 +29,38 @@ def limit_rforest(df: DataFrame, limit_num: int, num_estimators: int=1000, limit_num (int): desired number of input parameters num_estimators (int): number of trees used by RFR algorithm num_processes (int): number of parallel jobs for RFR algorithm + **kwargs: any argument accepted by + sklearn.ensemble.RandomForestRegressor Returns: - ecnet.utils.data_utils.DataFrame: limited data + list: [(feature, importance), ..., (feature, importance)] ''' logger.log('info', 'Finding {} most influential input parameters' .format(limit_num), call_loc='LIMIT') + + pd = df.package_sets() + X = concatenate((pd.learn_x, pd.valid_x, pd.test_x)) + y = ravel(concatenate((pd.learn_y, pd.valid_y, pd.test_y))) + + if num_estimators is None: + num_estimators = len(X[0]) + logger.log('debug', 'Number of estimators: {}'.format(num_estimators), call_loc='LIMIT') - ditto_logger.stream_level = logger.stream_level - if logger.file_level != 'disable': - ditto_logger.log_dir = logger.log_dir - ditto_logger.file_level = logger.file_level - ditto_logger.default_call_loc('LIMIT') - item_collection = ItemCollection(df._filename) - for inp_name in df._input_names: - item_collection.add_attribute(Attribute(inp_name)) - for pt in df.data_points: - item_collection.add_item( - pt.id, - deepcopy([getattr(pt, i) for i in df._input_names]) - ) - for tar_name in df._target_names: - item_collection.add_attribute(Attribute(tar_name, is_descriptor=False)) - for pt in df.data_points: - target_vals = [getattr(pt, t) for t in df._target_names] - for idx, tar in enumerate(target_vals): - item_collection.set_item_attribute( - pt.id, tar, df._target_names[idx] - ) - item_collection.strip() - params = [param[0] for param in random_forest_regressor( - item_collection.dataframe, - target_attribute=df._target_names[0], - n_components=limit_num, + regr = RandomForestRegressor( + n_jobs=num_processes, n_estimators=num_estimators, - n_jobs=num_processes - )] - for idx, param in enumerate(params): - for tn in df._target_names: - if tn == param: - del params[idx] - break - - logger.log('debug', 'Selected parameters: {}'.format(params), - call_loc='LIMIT') - df.set_inputs(params) - return df + **kwargs + ) + regr.fit(X, y) + importances = regr.feature_importances_ + result = [] + for idx, name in enumerate(df._input_names): + result.append((name, importances[idx])) + result = sorted(result, key=lambda t: t[1], reverse=True)[:limit_num] + logger.log('debug', 'Selected parameters: {}'.format( + [r[0] for r in result] + ), call_loc='LIMIT') + return result diff --git a/ecnet/tasks/remove_outliers.py b/ecnet/tasks/remove_outliers.py deleted file mode 100644 index 9d1110f..0000000 --- a/ecnet/tasks/remove_outliers.py +++ /dev/null @@ -1,68 +0,0 @@ -#!/usr/bin/env python -# -*- coding: utf-8 -*- -# -# ecnet/tasks/remove_outliers.py -# v.3.2.1 -# Developed in 2019 by Travis Kessler -# -# Contains function for removing outliers from ECNet DataFrame -# - -# stdlib imports -from copy import deepcopy - -# 3rd party imports -from ditto_lib.itemcollection import Attribute, ItemCollection -from ditto_lib.tasks.outliers import local_outlier_factor -from ditto_lib.utils.logging import logger as ditto_logger -from ditto_lib.utils.dataframe import Attribute - -# ECNet imports -from ecnet.utils.data_utils import DataFrame -from ecnet.utils.logging import logger - - -def remove_outliers(df: DataFrame, leaf_size: int=40, - num_processes: int=1) -> DataFrame: - '''Unsupervised outlier detection using local outlier factor - - Args: - df (ecnet.utils.data_utils.DataFrame): loaded data - leaf_size (int): used by nearest-neighbor algorithm as the number of - points at which to switch to brute force - num_processes (int): number of parallel jobs for LOF algorithm - - Returns: - ecnet.utils.data_utils.DataFrame: data w/o outliers - ''' - - logger.log('info', 'Removing outliers', call_loc='OUTLIERS') - logger.log('debug', 'Leaf size: {}'.format(leaf_size), - call_loc='OUTLIERS') - - ditto_logger.stream_level = logger.stream_level - if logger.file_level != 'disable': - ditto_logger.log_dir = logger.log_dir - ditto_logger.file_level = logger.file_level - ditto_logger.default_call_loc('OUTLIERS') - item_collection = ItemCollection(df._filename) - for inp_name in df._input_names: - item_collection.add_attribute(Attribute(inp_name)) - for pt in df.data_points: - item_collection.add_item( - pt.id, - deepcopy([getattr(pt, i) for i in df._input_names]) - ) - item_collection.strip() - outliers = local_outlier_factor( - item_collection.dataframe, - leaf_size=leaf_size, - n_jobs=num_processes - ) - logger.log('debug', 'Outliers: {}'.format(outliers), call_loc='OUTLIERS') - for out in outliers: - for idx, pt in enumerate(df.data_points): - if out == pt.id: - del df.data_points[idx] - break - return df diff --git a/ecnet/tasks/training.py b/ecnet/tasks/training.py index b7cd0ac..beb9b9a 100644 --- a/ecnet/tasks/training.py +++ b/ecnet/tasks/training.py @@ -2,7 +2,7 @@ # -*- coding: utf-8 -*- # # ecnet/tasks/training.py -# v.3.2.1 +# v.3.2.2 # Developed in 2019 by Travis Kessler # # Contains function for project training (multiprocessed training) diff --git a/ecnet/tasks/tuning.py b/ecnet/tasks/tuning.py index afbcf56..f14c94a 100644 --- a/ecnet/tasks/tuning.py +++ b/ecnet/tasks/tuning.py @@ -2,7 +2,7 @@ # -*- coding: utf-8 -*- # # ecnet/tasks/tuning.py -# v.3.2.1 +# v.3.2.2 # Developed in 2019 by Travis Kessler # # Contains functions/fitness functions for tuning hyperparameters @@ -75,11 +75,12 @@ def tune_hyperparameters(df: DataFrame, vars: dict, num_employers: int, ('float', (0.0, 1.0)), ('float', (0.0, 1.0)), ('float', (0.0, 1.0)), - ('float', (0.0, 1.0)) + ('float', (0.0, 1.0)), + ('int', (1, len(df.learn_set))) ] for _ in range(len(vars['hidden_layers'])): - value_ranges.append(('int', (1, 50))) + value_ranges.append(('int', (1, 100))) abc = ABC( tune_fitness_function, @@ -105,7 +106,8 @@ def tune_hyperparameters(df: DataFrame, vars: dict, num_employers: int, 'decay': abc.best_performer[1][2], 'epsilon': abc.best_performer[1][3], 'learning_rate': abc.best_performer[1][4], - 'hidden_layers': abc.best_performer[1][5:] + 'batch_size': abc.best_performer[1][5], + 'hidden_layers': abc.best_performer[1][6:] } ), call_loc='TUNE') params = abc.best_performer[1] @@ -114,8 +116,9 @@ def tune_hyperparameters(df: DataFrame, vars: dict, num_employers: int, vars['decay'] = params[2] vars['epsilon'] = params[3] vars['learning_rate'] = params[4] + vars['batch_size'] = params[5] for l_idx in range(len(vars['hidden_layers'])): - vars['hidden_layers'][l_idx][0] = params[5 + l_idx] + vars['hidden_layers'][l_idx][0] = params[6 + l_idx] return vars @@ -136,10 +139,11 @@ def tune_fitness_function(params: dict, **kwargs): vars['decay'] = params[2] vars['epsilon'] = params[3] vars['learning_rate'] = params[4] + vars['batch_size'] = params[5] vars['hidden_layers'] = kwargs['hidden_layers'] - vars['epochs'] = 2000 + vars['epochs'] = 3000 for l_idx in range(len(vars['hidden_layers'])): - vars['hidden_layers'][l_idx][0] = params[5 + l_idx] + vars['hidden_layers'][l_idx][0] = params[6 + l_idx] df = kwargs['df'] if kwargs['shuffle'] is not None: diff --git a/ecnet/tools/database.py b/ecnet/tools/database.py index 545a811..2b337ae 100644 --- a/ecnet/tools/database.py +++ b/ecnet/tools/database.py @@ -2,7 +2,7 @@ # -*- coding: utf-8 -*- # # ecnet/tools/database.py -# v.3.2.1 +# v.3.2.2 # Developed in 2019 by Travis Kessler # # Contains functions for creating ECNet-formatted databases @@ -16,7 +16,12 @@ # 3rd party imports from alvadescpy import smiles_to_descriptors -from padelpy import from_smiles +from padelpy import from_mdl, from_smiles + +try: + import pybel +except: + pybel = None class _Molecule: @@ -31,7 +36,8 @@ def __init__(self, id): def create_db(smiles: list, db_name: str, targets: list=None, - id_prefix: str='', extra_strings: dict={}, backend: str='padel'): + id_prefix: str='', extra_strings: dict={}, backend: str='padel', + convert_mdl: bool=False): ''' create_db: creates an ECNet-formatted database from SMILES strings using either PaDEL-Descriptor or alvaDesc software; using alvaDesc requires a valid installation/license of alvaDesc @@ -46,6 +52,8 @@ def create_db(smiles: list, db_name: str, targets: list=None, with length equal to number of SMILES strings backend (str): software used to calculate QSPR descriptors, 'padel' or 'alvadesc' + convert_mdl (bool): if `True`, converts SMILES strings to MDL 3D + format before calculating descriptors (PaDEL only) ''' if targets is not None: @@ -68,16 +76,38 @@ def create_db(smiles: list, db_name: str, targets: list=None, mols.append(smiles_to_descriptors(mol)) elif backend == 'padel': for idx, mol in enumerate(smiles): - try: - mols.append(from_smiles(mol)) - except RuntimeError: - warn('Could not calculate descriptors for {}, omitting'.format( - mol), RuntimeWarning) - del smiles[idx] - if targets is not None: - del targets[idx] - for string in list(extra_strings.keys()): - del extra_strings[string][idx] + if convert_mdl is True: + if pybel is None: + raise ImportError( + 'pybel (Python Open Babel wrapper) not installed, ' + 'cannot convert SMILES to MDL' + ) + mdl = pybel.readstring('smi', mol) + mdl.make3D() + curr_time = datetime.now().strftime('%Y%m%d%H%M%S%f')[:-3] + mdl.write('mdl', '{}.mdl'.format(curr_time)) + try: + mols.append(from_mdl('{}.mdl'.format(curr_time))[0]) + except RuntimeError: + warn('Could not calculate descriptors for {}, omitting' + .format(mol), RuntimeWarning) + del smiles[idx] + if targets is not None: + del targets[idx] + for string in list(extra_strings.keys()): + del extra_strings[string][idx] + remove('{}.mdl'.format(curr_time)) + else: + try: + mols.append(from_smiles(mol)) + except RuntimeError: + warn('Could not calculate descriptors for {}, omitting' + .format(mol), RuntimeWarning) + del smiles[idx] + if targets is not None: + del targets[idx] + for string in list(extra_strings.keys()): + del extra_strings[string][idx] else: raise ValueError('Unknown backend software: {}'.format(backend)) diff --git a/ecnet/tools/plotting.py b/ecnet/tools/plotting.py index b81aba9..dc29b33 100644 --- a/ecnet/tools/plotting.py +++ b/ecnet/tools/plotting.py @@ -2,7 +2,7 @@ # -*- coding: utf-8 -*- # # ecnet/tools/plotting.py -# v.3.2.1 +# v.3.2.2 # Developed in 2019 by Travis Kessler # # Contains functions/classes for creating various plots @@ -36,6 +36,7 @@ def __init__(self, title: str='Parity Plot', plt.xlabel(x_label) plt.ylabel(y_label) self._max_val = 0 + self._min_val = 0 self._labels = None def add_series(self, x_vals, y_vals, name: str=None, color: str=None): @@ -59,6 +60,12 @@ def add_series(self, x_vals, y_vals, name: str=None, color: str=None): y_max = max(y_vals) if y_max > self._max_val: self._max_val = y_max + x_min = min(x_vals) + if x_min < self._min_val: + self._min_val = x_min + y_min = min(y_vals) + if y_min < self._min_val: + self._min_val = y_min def add_error_bars(self, error: float, label: str=None): ''' Adds error bars, +/- the error relative to the 1:1 parity line @@ -103,8 +110,8 @@ def _add_parity_line(self, offset: float=0.0): direction = 1 norm_offset = direction * sqrt(2 * offset * offset) plt.plot( - [0, self._max_val], - [0 + norm_offset, self._max_val + norm_offset], + [self._min_val, self._max_val], + [self._min_val + norm_offset, self._max_val + norm_offset], color='k', linestyle=':', zorder=0, diff --git a/ecnet/tools/project.py b/ecnet/tools/project.py index 45fdd5d..fc90972 100644 --- a/ecnet/tools/project.py +++ b/ecnet/tools/project.py @@ -2,7 +2,7 @@ # -*- coding: utf-8 -*- # # ecnet/tools/project.py -# v.3.2.1 +# v.3.2.2 # Developed in 2019 by Travis Kessler # # Contains functions for predicting data using pre-existing .prj files diff --git a/ecnet/utils/data_utils.py b/ecnet/utils/data_utils.py index 661dd97..8863eaa 100644 --- a/ecnet/utils/data_utils.py +++ b/ecnet/utils/data_utils.py @@ -2,7 +2,7 @@ # -*- coding: utf-8 -*- # # ecnet/utils/data_utils.py -# v.3.2.1 +# v.3.2.2 # Developed in 2019 by Travis Kessler # # Contains functions/classes for loading data, saving data, saving results @@ -315,7 +315,8 @@ def package_sets(self) -> PackagedData: return pd def set_inputs(self, inputs: list): - '''Removes all input variables except those supplied + '''Removes all input variables except those supplied, updates sets + accordingly Args: inputs (list): input variable names, str @@ -329,6 +330,7 @@ def set_inputs(self, inputs: list): raise ValueError('{} not found in existing inputs'.format(inp)) self._input_names = inputs + self.create_sets() def save(self, filename: str): '''Saves the current state of the DataFrame to a new CSV database diff --git a/ecnet/utils/error_utils.py b/ecnet/utils/error_utils.py index 476fac3..7266bda 100644 --- a/ecnet/utils/error_utils.py +++ b/ecnet/utils/error_utils.py @@ -2,7 +2,7 @@ # -*- coding: utf-8 -*- # # ecnet/utils/error_utils.py -# v.3.2.1 +# v.3.2.2 # Developed in 2019 by Travis Kessler # # Contains functions for error calculations diff --git a/ecnet/utils/logging.py b/ecnet/utils/logging.py index 4640cc0..30825d7 100644 --- a/ecnet/utils/logging.py +++ b/ecnet/utils/logging.py @@ -2,7 +2,7 @@ # -*- coding: utf-8 -*- # # ecnet/utils/logging.py -# v.3.2.1 +# v.3.2.2 # Developed in 2019 by Travis Kessler # # Contains logger used by ECNet diff --git a/ecnet/utils/server_utils.py b/ecnet/utils/server_utils.py index 76d320b..e33020a 100644 --- a/ecnet/utils/server_utils.py +++ b/ecnet/utils/server_utils.py @@ -2,7 +2,7 @@ # -*- coding: utf-8 -*- # # ecnet/utils/server_utils.py -# v.3.2.1 +# v.3.2.2 # Developed in 2019 by Travis Kessler # # Contains functions used by ecnet.Server @@ -25,6 +25,25 @@ from ecnet.models.mlp import MultilayerPerceptron +def check_config(config: dict) -> dict: + '''Compares loaded YML configuration to expected variables, sets any + missing variables to ECNet's default values + + Args: + config (dict): currently loaded YML configuration + + Returns: + dict: currently loaded YML configuration, with default values for + missing variables + ''' + + expected_vars = default_config() + for key in list(expected_vars.keys()): + if key not in list(config.keys()): + config[key] = expected_vars[key] + return config + + def create_project(prj_name: str, num_pools: int, num_candidates: int): '''Creates an ECNet project folder structure @@ -45,7 +64,7 @@ def default_config() -> dict: '''Returns default NN architecture/learning parameters''' return { - 'epochs': 10000, + 'epochs': 3000, 'learning_rate': 0.001, 'beta_1': 0.9, 'beta_2': 0.999, @@ -55,7 +74,8 @@ def default_config() -> dict: [32, 'relu'], [32, 'relu'] ], - 'output_activation': 'linear' + 'output_activation': 'linear', + 'batch_size': 32 } @@ -237,7 +257,7 @@ def open_project(prj_file: str) -> tuple: for root, _, files in walk(prj_name): for file in files: if '.yml' in file: - vars = {} + vars = open_config(path.join(root, file)) return ( prj_name, len([pool for pool in listdir(prj_name) @@ -248,7 +268,7 @@ def open_project(prj_file: str) -> tuple: ), open_df(path.join(prj_name, 'data.d')), file, - vars.update(open_config(path.join(root, file))) + vars ) raise FileNotFoundError('Unable to locate configuration file in {}'.format( prj_file @@ -386,7 +406,8 @@ def train_model(sets: PackagedData, vars: dict, eval_set: str, eval_fn: str, beta_1=vars['beta_1'], beta_2=vars['beta_2'], epsilon=vars['epsilon'], - decay=vars['decay'] + decay=vars['decay'], + batch_size=vars['batch_size'] ) else: model.fit( @@ -397,7 +418,8 @@ def train_model(sets: PackagedData, vars: dict, eval_set: str, eval_fn: str, beta_1=vars['beta_1'], beta_2=vars['beta_2'], epsilon=vars['epsilon'], - decay=vars['decay'] + decay=vars['decay'], + batch_size=vars['batch_size'] ) if save: model.save() diff --git a/setup.py b/setup.py index 75f0568..af32395 100644 --- a/setup.py +++ b/setup.py @@ -2,7 +2,7 @@ setup( name='ecnet', - version='3.2.1', + version='3.2.2', description='UMass Lowell Energy and Combustion Research Laboratory Neural' ' Network Software', url='http://github.com/tjkessler/ecnet', @@ -15,14 +15,13 @@ install_requires=[ 'alvadescpy==0.1.0', 'colorlogging==0.3.5', - 'ditto-lib==1.0.0', 'ecabc==2.2.3', 'keras==2.2.4', 'matplotlib==3.1.0', 'numpy==1.16.4', - 'padelpy==0.1.5', + 'padelpy==0.1.6', 'pyyaml==5.1.1', - 'sklearn', + 'scikit-learn==0.21.2', 'tensorflow==1.13.1' ], zip_safe=False diff --git a/tests/models/test_mlp.py b/tests/models/test_mlp.py index a5757f4..51fd99f 100644 --- a/tests/models/test_mlp.py +++ b/tests/models/test_mlp.py @@ -12,20 +12,19 @@ def test_mlp(self): print('\nUNIT TEST: MultilayerPerceptron') mlp = MultilayerPerceptron() - mlp.add_layer(2, 'relu', 2) - mlp.add_layer(5, 'relu') - mlp.add_layer(5, 'relu') + mlp.add_layer(9, 'relu', 3) + mlp.add_layer(6, 'relu') mlp.add_layer(1, 'linear') - mlp.fit(array([[1, 0], [0, 1]]), array([[1], [0]]), epochs=15000) + mlp.fit(array([[1, 1, 1], [0, 0, 0]]), array([[1], [0]]), epochs=20000) - results = mlp.use(array([[1, 0], [0, 1]])) + results = mlp.use(array([[1, 1, 1], [0, 0, 0]])) self.assertAlmostEqual(results[0][0], 1, 3) self.assertAlmostEqual(results[1][0], 0, 3) mlp.save() mlp_saved = MultilayerPerceptron() mlp_saved.load() - results = mlp_saved.use(array([[1, 0], [0, 1]])) + results = mlp_saved.use(array([[1, 1, 1], [0, 0, 0]])) self.assertAlmostEqual(results[0][0], 1, 3) self.assertAlmostEqual(results[1][0], 0, 3) remove('model.h5') diff --git a/tests/server/test_server.py b/tests/server/test_server.py index f36124b..1653310 100644 --- a/tests/server/test_server.py +++ b/tests/server/test_server.py @@ -9,6 +9,9 @@ from ecnet.utils.data_utils import DataFrame, PackagedData +DB_LOC = 'cn_model_v1.0.csv' + + class TestServer(unittest.TestCase): def test_init(self): @@ -23,7 +26,7 @@ def test_load_data(self): print('\nUNIT TEST: Server.load_data') sv = Server() - sv.load_data('cn_model_v1.0.csv') + sv.load_data(DB_LOC) self.assertEqual(len(sv._df), 482) self.assertEqual(type(sv._sets), PackagedData) remove('config.yml') @@ -47,7 +50,7 @@ def test_train_project(self): print('\nUNIT TEST: Server.train') sv = Server() - sv.load_data('cn_model_v1.0.csv', random=True, split=[0.7, 0.2, 0.1]) + sv.load_data(DB_LOC, random=True, split=[0.7, 0.2, 0.1]) sv.create_project('test_project', 2, 2) sv._vars['epochs'] = 100 sv.train() @@ -71,7 +74,7 @@ def test_use_project(self): print('\nUNIT TEST: Server.use') sv = Server() - sv.load_data('cn_model_v1.0.csv', random=True, split=[0.7, 0.2, 0.1]) + sv.load_data(DB_LOC, random=True, split=[0.7, 0.2, 0.1]) sv.create_project('test_project', 2, 2) sv._vars['epochs'] = 100 sv.train() @@ -84,7 +87,7 @@ def test_save_project(self): print('\nUNIT TEST: Server.save_project') sv = Server() - sv.load_data('cn_model_v1.0.csv', random=True, split=[0.7, 0.2, 0.1]) + sv.load_data(DB_LOC, random=True, split=[0.7, 0.2, 0.1]) sv.create_project('test_project', 2, 2) sv._vars['epochs'] = 100 sv.train() @@ -96,8 +99,9 @@ def test_save_project(self): def test_multiprocessing_train(self): + print('\nUNIT TEST: multiprocessing training') sv = Server(num_processes=8) - sv.load_data('cn_model_v1.0.csv') + sv.load_data(DB_LOC) sv.create_project('test_project', 2, 4) sv._vars['epochs'] = 100 sv.train() @@ -120,4 +124,5 @@ def test_multiprocessing_train(self): if __name__ == '__main__': + DB_LOC = join('../', DB_LOC) unittest.main() diff --git a/tests/tasks/test_limit_inputs.py b/tests/tasks/test_limit_inputs.py index db22eab..1ef6862 100644 --- a/tests/tasks/test_limit_inputs.py +++ b/tests/tasks/test_limit_inputs.py @@ -1,7 +1,13 @@ import unittest +from os import remove +from os.path import join from ecnet.utils.data_utils import DataFrame from ecnet.tasks.limit_inputs import limit_rforest +from ecnet import Server + + +DB_LOC = 'cn_model_v1.0.csv' class TestLimit(unittest.TestCase): @@ -9,13 +15,30 @@ class TestLimit(unittest.TestCase): def test_limit_rforest(self): print('\nUNIT TEST: limit_rforest') - df = DataFrame('cn_model_v1.0.csv') - df_res = limit_rforest(df, 2) + df = DataFrame(DB_LOC) + df.create_sets() + result = limit_rforest(df, 2) + self.assertEqual(len(result), 2) + self.assertEqual(len(result[0]), 2) + df.set_inputs([r[0] for r in result]) self.assertEqual(len(df._input_names), 2) - self.assertIn(df_res._input_names[0], df._input_names) - self.assertIn(df_res._input_names[1], df._input_names) + + def test_server_limit(self): + + print('\nUNIT TEST: limit_rforest (Server)') + sv = Server() + sv.load_data(DB_LOC) + sv.limit_inputs(2, output_filename='cn_limited.csv') + self.assertEqual(len(sv._df._input_names), 2) + self.assertEqual(len(sv._sets.learn_x[0]), 2) + sv.load_data('cn_limited.csv') + self.assertEqual(len(sv._df._input_names), 2) + self.assertEqual(len(sv._sets.learn_x[0]), 2) + remove('cn_limited.csv') + remove('config.yml') if __name__ == '__main__': + DB_LOC = join('../', 'cn_model_v1.0.csv') unittest.main() diff --git a/tests/tasks/test_remove_outliers.py b/tests/tasks/test_remove_outliers.py deleted file mode 100644 index 5afd2d3..0000000 --- a/tests/tasks/test_remove_outliers.py +++ /dev/null @@ -1,20 +0,0 @@ -import unittest -from copy import deepcopy - -from ecnet.utils.data_utils import DataFrame -from ecnet.tasks.remove_outliers import remove_outliers - - -class TestRemoveOutliers(unittest.TestCase): - - def test_limit_rforest(self): - - print('UNIT TEST: remove_outliers') - df = DataFrame('cn_model_v1.0.csv') - df_res = remove_outliers(deepcopy(df)) - self.assertLess(len(df_res), len(df)) - - -if __name__ == '__main__': - - unittest.main() diff --git a/tests/tasks/test_tune_hyperparameters.py b/tests/tasks/test_tune_hyperparameters.py index 1626689..81d97cb 100644 --- a/tests/tasks/test_tune_hyperparameters.py +++ b/tests/tasks/test_tune_hyperparameters.py @@ -1,16 +1,20 @@ import unittest +from os.path import join from ecnet.utils.data_utils import DataFrame from ecnet.utils.server_utils import default_config from ecnet.tasks.tuning import tune_hyperparameters +DB_LOC = 'cn_model_v1.0.csv' + + class TestTune(unittest.TestCase): def test_tune_hyperparameters(self): print('\nUNIT TEST: tune_hyperparameters') - df = DataFrame('cn_model_v1.0.csv') + df = DataFrame(DB_LOC) df.create_sets(random=True) config = default_config() new_hp = tune_hyperparameters(df, config, 2, 1) @@ -24,12 +28,15 @@ def test_tune_hyperparameters(self): self.assertLessEqual(new_hp['epsilon'], 1) self.assertGreaterEqual(new_hp['learning_rate'], 0) self.assertLessEqual(new_hp['learning_rate'], 1) + self.assertGreaterEqual(new_hp['batch_size'], 1) + self.assertLessEqual(new_hp['batch_size'], len(df.learn_set)) self.assertGreaterEqual(new_hp['hidden_layers'][0][0], 1) - self.assertLessEqual(new_hp['hidden_layers'][0][0], 50) + self.assertLessEqual(new_hp['hidden_layers'][0][0], 100) self.assertGreaterEqual(new_hp['hidden_layers'][1][0], 1) - self.assertLessEqual(new_hp['hidden_layers'][1][0], 50) + self.assertLessEqual(new_hp['hidden_layers'][1][0], 100) if __name__ == '__main__': + DB_LOC = join('../', 'cn_model_v1.0.csv') unittest.main() diff --git a/tests/test_all.py b/tests/test_all.py index 9040928..f61ead5 100644 --- a/tests/test_all.py +++ b/tests/test_all.py @@ -4,7 +4,6 @@ from models.test_mlp import TestMLP from tasks.test_limit_inputs import TestLimit -from tasks.test_remove_outliers import TestRemoveOutliers from tasks.test_tune_hyperparameters import TestTune from tools.test_database import TestDatabase from tools.test_project import TestUseProject diff --git a/tests/tools/test_database.py b/tests/tools/test_database.py index 41987e7..17a89ba 100644 --- a/tests/tools/test_database.py +++ b/tests/tools/test_database.py @@ -4,6 +4,11 @@ from ecnet.utils.data_utils import DataFrame import ecnet.tools.database as database +try: + import pybel +except ImportError: + pybel = None + class TestDatabase(unittest.TestCase): @@ -17,6 +22,17 @@ def test_create_db(self): self.assertEqual(len(df._input_names), 1875) remove('database.csv') + def test_create_db_convert(self): + + print('\nUNIT TEST: create_db, convert MDL') + + if pybel is not None: + database.create_db(['CCC', 'CC'], 'database.csv', convert_mdl=True) + df = DataFrame('database.csv') + self.assertEqual(len(df), 2) + self.assertEqual(len(df._input_names), 1875) + remove('database.csv') + if __name__ == '__main__': diff --git a/tests/tools/test_project.py b/tests/tools/test_project.py index f6a0dbb..dfb4512 100644 --- a/tests/tools/test_project.py +++ b/tests/tools/test_project.py @@ -1,10 +1,14 @@ import unittest from os import remove +from os.path import join from ecnet import Server from ecnet.tools.project import predict +DB_LOC = 'cn_model_v2.0.csv' + + class TestUseProject(unittest.TestCase): def test_predict(self): @@ -31,4 +35,5 @@ def test_predict(self): if __name__ == '__main__': + DB_LOC = join('../', 'cn_model_v2.0.csv') unittest.main() diff --git a/tests/utils/test_data_utils.py b/tests/utils/test_data_utils.py index 811b6c3..4a2d63b 100644 --- a/tests/utils/test_data_utils.py +++ b/tests/utils/test_data_utils.py @@ -1,15 +1,19 @@ import unittest from os import remove +from os.path import join import ecnet.utils.data_utils as data_utils +DB_LOC = 'cn_model_v1.0.csv' + + class TestDataUtils(unittest.TestCase): def test_df_init(self): print('\nUNIT TEST: DataFrame init') - df = data_utils.DataFrame('cn_model_v1.0.csv') + df = data_utils.DataFrame(DB_LOC) self.assertEqual(len(df._string_names), 7) self.assertEqual(len(df._group_names), 1) self.assertEqual(len(df._target_names), 1) @@ -19,7 +23,7 @@ def test_df_init(self): def test_set_creation(self): print('\nUNIT TEST: DataFrame set creation') - df = data_utils.DataFrame('cn_model_v1.0.csv') + df = data_utils.DataFrame(DB_LOC) df.create_sets() self.assertEqual(len(df.learn_set), 329) @@ -34,7 +38,7 @@ def test_set_creation(self): def test_normalize(self): print('\nUNIT TEST: DataFrame normalize') - df = data_utils.DataFrame('cn_model_v1.0.csv') + df = data_utils.DataFrame(DB_LOC) df.normalize() df.create_sets(random=True) pd = df.package_sets() @@ -54,7 +58,7 @@ def test_normalize(self): def test_shuffle(self): print('\nUNIT TEST: DataFrame shuffle') - df = data_utils.DataFrame('cn_model_v1.0.csv') + df = data_utils.DataFrame(DB_LOC) df.shuffle(sets='all', split=[0.7, 0.2, 0.1]) self.assertEqual(len(df.learn_set), 337) @@ -69,7 +73,7 @@ def test_shuffle(self): def test_package_sets(self): print('\nUNIT TEST: DataFrame package_sets') - df = data_utils.DataFrame('cn_model_v1.0.csv') + df = data_utils.DataFrame(DB_LOC) df.shuffle(sets='all', split=[0.7, 0.2, 0.1]) pd = df.package_sets() @@ -95,7 +99,7 @@ def test_package_sets(self): def test_set_inputs(self): print('\nUNIT TEST: DataFrame set_inputs') - df = data_utils.DataFrame('cn_model_v1.0.csv') + df = data_utils.DataFrame(DB_LOC) df.set_inputs(['PHI', 'piPC05']) self.assertEqual(len(df._input_names), 2) df.create_sets(random=True) @@ -105,7 +109,7 @@ def test_set_inputs(self): def test_save_df(self): print('\nUNIT TEST: DataFrame save') - df = data_utils.DataFrame('cn_model_v1.0.csv') + df = data_utils.DataFrame(DB_LOC) df.save('cn_test_save.csv') df_new = data_utils.DataFrame('cn_test_save.csv') self.assertEqual( @@ -133,4 +137,5 @@ def test_save_df(self): if __name__ == '__main__': + DB_LOC = join('../', 'cn_model_v1.0.csv') unittest.main() diff --git a/tests/utils/test_server_utils.py b/tests/utils/test_server_utils.py index 8cafe3b..452c423 100644 --- a/tests/utils/test_server_utils.py +++ b/tests/utils/test_server_utils.py @@ -8,15 +8,28 @@ import ecnet.utils.data_utils as data_utils +DB_LOC = 'cn_model_v1.0.csv' + + class TestServerUtils(unittest.TestCase): + def test_check_config(self): + + print('\nUNIT TEST: check_config') + dc = server_utils.default_config() + del dc['batch_size'] + self.assertFalse('batch_size' in list(dc.keys())) + dc = server_utils.check_config(dc) + self.assertTrue('batch_size' in list(dc.keys())) + self.assertEqual(dc['batch_size'], 32) + def test_default_config(self): print('\nUNIT TEST: default_config') dc = server_utils.default_config() self.assertEqual( dc, { - 'epochs': 10000, + 'epochs': 3000, 'learning_rate': 0.001, 'beta_1': 0.9, 'beta_2': 0.999, @@ -26,7 +39,8 @@ def test_default_config(self): [32, 'relu'], [32, 'relu'] ], - 'output_activation': 'linear' + 'output_activation': 'linear', + 'batch_size': 32 } ) @@ -69,7 +83,7 @@ def test_get_error(self): def test_get_x(self): print('\nUNIT TEST: get_x') - df = data_utils.DataFrame('cn_model_v1.0.csv') + df = data_utils.DataFrame(DB_LOC) df.create_sets(random=True) pd = df.package_sets() self.assertEqual(len(server_utils.get_x(pd, 'learn')), len(pd.learn_x)) @@ -87,7 +101,7 @@ def test_get_x(self): def test_get_y(self): print('\nUNIT TEST: get_y') - df = data_utils.DataFrame('cn_model_v1.0.csv') + df = data_utils.DataFrame(DB_LOC) df.create_sets(random=True) pd = df.package_sets() self.assertEqual(len(server_utils.get_y(pd, 'learn')), len(pd.learn_y)) @@ -111,7 +125,7 @@ def test_open_save_config(self): self.assertEqual( server_utils.open_config('config.yml'), { - 'epochs': 10000, + 'epochs': 3000, 'learning_rate': 0.001, 'beta_1': 0.9, 'beta_2': 0.999, @@ -121,7 +135,8 @@ def test_open_save_config(self): [32, 'relu'], [32, 'relu'] ], - 'output_activation': 'linear' + 'output_activation': 'linear', + 'batch_size': 32 } ) remove('config.yml') @@ -129,7 +144,7 @@ def test_open_save_config(self): def test_open_save_df(self): print('\nUNIT TEST: open/save DataFrame') - df = data_utils.DataFrame('cn_model_v1.0.csv') + df = data_utils.DataFrame(DB_LOC) server_utils.save_df(df, 'test_df_saved.d') df = server_utils.open_df('test_df_saved.d') self.assertEqual(len(df), 482) @@ -142,7 +157,7 @@ def test_open_save_df(self): def test_train_model(self): print('\nUNIT TEST: train_model') - df = data_utils.DataFrame('cn_model_v1.0.csv') + df = data_utils.DataFrame(DB_LOC) df.create_sets(random=True) pd = df.package_sets() config = server_utils.default_config() @@ -156,7 +171,7 @@ def test_train_model(self): def test_use_model(self): print('\nUNIT TEST: use_model') - df = data_utils.DataFrame('cn_model_v1.0.csv') + df = data_utils.DataFrame(DB_LOC) df.create_sets(random=True) pd = df.package_sets() config = server_utils.default_config() @@ -189,4 +204,5 @@ def test_use_model(self): if __name__ == '__main__': + DB_LOC = join('../', 'cn_model_v1.0.csv') unittest.main()